smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[NH+](C)Cc1cccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459266356 299070091 /nfs/dbraw/zinc/07/00/91/299070091.db2.gz POIWDOKIDCPWNM-HNNXBMFYSA-N 2 1 318.465 2.602 20 0 DFADMP COc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278463778 214171150 /nfs/dbraw/zinc/17/11/50/214171150.db2.gz JFTIWMCTUJHPCM-CVEARBPZSA-N 2 1 306.450 2.847 20 0 DFADMP COc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278463778 214171155 /nfs/dbraw/zinc/17/11/55/214171155.db2.gz JFTIWMCTUJHPCM-CVEARBPZSA-N 2 1 306.450 2.847 20 0 DFADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278526630 214213015 /nfs/dbraw/zinc/21/30/15/214213015.db2.gz NEJSMZKBLKXMGE-MAUKXSAKSA-N 2 1 318.461 2.773 20 0 DFADMP CC1CC[NH+](CCC[NH2+]Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000079121669 185159642 /nfs/dbraw/zinc/15/96/42/185159642.db2.gz DRFREOGNMXDFLS-UHFFFAOYSA-N 2 1 313.445 2.740 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000309691764 231101618 /nfs/dbraw/zinc/10/16/18/231101618.db2.gz JFHATDDJRUTCOO-RBUKOAKNSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696088 231102756 /nfs/dbraw/zinc/10/27/56/231102756.db2.gz DZORIRUKZMBUEA-WMZOPIPTSA-N 2 1 312.461 2.983 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278728566 214359781 /nfs/dbraw/zinc/35/97/81/214359781.db2.gz WETJUBYCAYQWFL-JKSUJKDBSA-N 2 1 306.450 2.847 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278728566 214359784 /nfs/dbraw/zinc/35/97/84/214359784.db2.gz WETJUBYCAYQWFL-JKSUJKDBSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000315340157 231141039 /nfs/dbraw/zinc/14/10/39/231141039.db2.gz FQDLBMXAYHBWNU-OLZOCXBDSA-N 2 1 320.462 2.790 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905792 398348121 /nfs/dbraw/zinc/34/81/21/398348121.db2.gz KKJIHAPIHMBZLZ-SJORKVTESA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905792 398348126 /nfs/dbraw/zinc/34/81/26/398348126.db2.gz KKJIHAPIHMBZLZ-SJORKVTESA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905792 398348129 /nfs/dbraw/zinc/34/81/29/398348129.db2.gz KKJIHAPIHMBZLZ-SJORKVTESA-N 2 1 318.465 2.620 20 0 DFADMP CCc1cc(NC2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)nc(C)[nH+]1 ZINC000302123910 529553824 /nfs/dbraw/zinc/55/38/24/529553824.db2.gz YXXLREKOHWTMEA-DLBZAZTESA-N 2 1 318.465 2.527 20 0 DFADMP CCc1cc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc(C)[nH+]1 ZINC000302120230 529554928 /nfs/dbraw/zinc/55/49/28/529554928.db2.gz XRSHFOCRSQMAOY-ZIAGYGMSSA-N 2 1 306.454 2.649 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000277058529 282209719 /nfs/dbraw/zinc/20/97/19/282209719.db2.gz MZSXRPOLFLBHDP-CVEARBPZSA-N 2 1 305.809 2.965 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCC(F)(F)F ZINC000378244674 282210614 /nfs/dbraw/zinc/21/06/14/282210614.db2.gz QNYUTQUZOBHJRL-MGPQQGTHSA-N 2 1 308.388 2.903 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000088671273 185262043 /nfs/dbraw/zinc/26/20/43/185262043.db2.gz COMDGJBEGOKPLN-JXFKEZNVSA-N 2 1 313.489 2.723 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)[C@@H]1SC ZINC000459359528 299087705 /nfs/dbraw/zinc/08/77/05/299087705.db2.gz CEKLXXRRXASWOE-JJXSEGSLSA-N 2 1 300.512 2.605 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090181373 185285567 /nfs/dbraw/zinc/28/55/67/185285567.db2.gz SEZPNLAAUMHNQW-CZUORRHYSA-N 2 1 324.428 2.595 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000090585246 185305033 /nfs/dbraw/zinc/30/50/33/185305033.db2.gz DGCWDIYOAZSEMM-DOTOQJQBSA-N 2 1 304.482 2.755 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1CCC(F)(F)CC1 ZINC000459374804 299090349 /nfs/dbraw/zinc/09/03/49/299090349.db2.gz YHLRFVXPAHAKET-BZUAXINKSA-N 2 1 316.436 2.995 20 0 DFADMP C[C@H]1C[N@@H+](CCc2cncn2C)[C@@H](C)CN1Cc1ccccc1 ZINC000459374556 299090377 /nfs/dbraw/zinc/09/03/77/299090377.db2.gz OPLWNRUUZJMBPL-IRXDYDNUSA-N 2 1 312.461 2.557 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1CCC(F)(F)CC1 ZINC000459374807 299090977 /nfs/dbraw/zinc/09/09/77/299090977.db2.gz YHLRFVXPAHAKET-PMPSAXMXSA-N 2 1 316.436 2.995 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000276826267 282233522 /nfs/dbraw/zinc/23/35/22/282233522.db2.gz HTQXJILQALDFTH-KRWDZBQOSA-N 2 1 317.477 2.528 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CCCC34CC4)CC2)nc(C)[nH+]1 ZINC000584731979 398404441 /nfs/dbraw/zinc/40/44/41/398404441.db2.gz KFQSCEGPWIXGGE-INIZCTEOSA-N 2 1 300.450 2.985 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]1SC ZINC000459430927 299104757 /nfs/dbraw/zinc/10/47/57/299104757.db2.gz RZHYDDSWZTWXLQ-YYIAUSFCSA-N 2 1 312.523 2.750 20 0 DFADMP CCOC(=O)C1([N@@H+](C)CCCC2CC[NH2+]CC2)CCCCC1 ZINC000592493289 398433685 /nfs/dbraw/zinc/43/36/85/398433685.db2.gz FEGSBFRXMFUKID-UHFFFAOYSA-N 2 1 310.482 2.964 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]1SC ZINC000459430925 299104656 /nfs/dbraw/zinc/10/46/56/299104656.db2.gz RZHYDDSWZTWXLQ-NXOAAHMSSA-N 2 1 312.523 2.750 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCCC1 ZINC000309626917 529955405 /nfs/dbraw/zinc/95/54/05/529955405.db2.gz NPWUGQWHSYPYOO-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCCC1 ZINC000309626917 529955406 /nfs/dbraw/zinc/95/54/06/529955406.db2.gz NPWUGQWHSYPYOO-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCCC1 ZINC000309626917 529955408 /nfs/dbraw/zinc/95/54/08/529955408.db2.gz NPWUGQWHSYPYOO-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855374 530065263 /nfs/dbraw/zinc/06/52/63/530065263.db2.gz CBVITLIAOYSYOC-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855374 530065264 /nfs/dbraw/zinc/06/52/64/530065264.db2.gz CBVITLIAOYSYOC-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855374 530065265 /nfs/dbraw/zinc/06/52/65/530065265.db2.gz CBVITLIAOYSYOC-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000309911010 530052866 /nfs/dbraw/zinc/05/28/66/530052866.db2.gz RZCOZPBKAMFTIJ-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000586763962 398455126 /nfs/dbraw/zinc/45/51/26/398455126.db2.gz JLVMUIWZUCGRTF-JKSUJKDBSA-N 2 1 319.449 2.712 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)[nH+]1 ZINC000181712972 199342903 /nfs/dbraw/zinc/34/29/03/199342903.db2.gz MQHBHJZMPLNYFS-SJLPKXTDSA-N 2 1 319.449 2.667 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)[nH+]1 ZINC000181712972 199342904 /nfs/dbraw/zinc/34/29/04/199342904.db2.gz MQHBHJZMPLNYFS-SJLPKXTDSA-N 2 1 319.449 2.667 20 0 DFADMP COC(=O)c1cc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)oc1C ZINC000292851555 398486521 /nfs/dbraw/zinc/48/65/21/398486521.db2.gz GDMCOEVGNCNUCM-GFCCVEGCSA-N 2 1 319.405 2.963 20 0 DFADMP COC(=O)c1cc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)oc1C ZINC000292851555 398486524 /nfs/dbraw/zinc/48/65/24/398486524.db2.gz GDMCOEVGNCNUCM-GFCCVEGCSA-N 2 1 319.405 2.963 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000090879260 398494969 /nfs/dbraw/zinc/49/49/69/398494969.db2.gz TVEHACTXJUJLBT-QILLFSRXSA-N 2 1 311.433 2.545 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459524433 299125478 /nfs/dbraw/zinc/12/54/78/299125478.db2.gz KFGBGSVTLNRSPI-QGZVFWFLSA-N 2 1 322.456 2.966 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459524433 299125482 /nfs/dbraw/zinc/12/54/82/299125482.db2.gz KFGBGSVTLNRSPI-QGZVFWFLSA-N 2 1 322.456 2.966 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272698700 210104314 /nfs/dbraw/zinc/10/43/14/210104314.db2.gz XYAIWDVVNNOZCC-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272698700 210104316 /nfs/dbraw/zinc/10/43/16/210104316.db2.gz XYAIWDVVNNOZCC-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272698700 210104319 /nfs/dbraw/zinc/10/43/19/210104319.db2.gz XYAIWDVVNNOZCC-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272698700 210104323 /nfs/dbraw/zinc/10/43/23/210104323.db2.gz XYAIWDVVNNOZCC-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272698700 210104321 /nfs/dbraw/zinc/10/43/21/210104321.db2.gz XYAIWDVVNNOZCC-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272698706 210103989 /nfs/dbraw/zinc/10/39/89/210103989.db2.gz XYAIWDVVNNOZCC-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272698706 210103991 /nfs/dbraw/zinc/10/39/91/210103991.db2.gz XYAIWDVVNNOZCC-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272698706 210103995 /nfs/dbraw/zinc/10/39/95/210103995.db2.gz XYAIWDVVNNOZCC-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272698706 210103999 /nfs/dbraw/zinc/10/39/99/210103999.db2.gz XYAIWDVVNNOZCC-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CCN1CCC[C@@H]1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272698706 210104002 /nfs/dbraw/zinc/10/40/02/210104002.db2.gz XYAIWDVVNNOZCC-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000459542945 299130203 /nfs/dbraw/zinc/13/02/03/299130203.db2.gz OUWFFYAFIHZMNT-LJQANCHMSA-N 2 1 305.510 3.000 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272674587 210079587 /nfs/dbraw/zinc/07/95/87/210079587.db2.gz QOFXJAMPHBLNSU-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272674587 210079590 /nfs/dbraw/zinc/07/95/90/210079590.db2.gz QOFXJAMPHBLNSU-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272674587 210079594 /nfs/dbraw/zinc/07/95/94/210079594.db2.gz QOFXJAMPHBLNSU-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272674587 210079597 /nfs/dbraw/zinc/07/95/97/210079597.db2.gz QOFXJAMPHBLNSU-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272674587 210079601 /nfs/dbraw/zinc/07/96/01/210079601.db2.gz QOFXJAMPHBLNSU-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000314872584 398522091 /nfs/dbraw/zinc/52/20/91/398522091.db2.gz GHAHTZTYENLECH-CYBMUJFWSA-N 2 1 324.852 2.931 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000314872584 398522098 /nfs/dbraw/zinc/52/20/98/398522098.db2.gz GHAHTZTYENLECH-CYBMUJFWSA-N 2 1 324.852 2.931 20 0 DFADMP COc1ccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)cc1 ZINC000091306419 398524783 /nfs/dbraw/zinc/52/47/83/398524783.db2.gz QZKSIONFJLTGCU-LJQANCHMSA-N 2 1 320.477 2.829 20 0 DFADMP Cc1cc[nH+]c(N2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)c1 ZINC000091478700 398532793 /nfs/dbraw/zinc/53/27/93/398532793.db2.gz LZGXOBFJCNRJNV-HOTGVXAUSA-N 2 1 303.450 2.716 20 0 DFADMP CCc1oc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C(=O)OC ZINC000589206521 398538841 /nfs/dbraw/zinc/53/88/41/398538841.db2.gz PFZXNGJMQLSYKC-BBRMVZONSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1C(=O)OC ZINC000589206521 398538844 /nfs/dbraw/zinc/53/88/44/398538844.db2.gz PFZXNGJMQLSYKC-BBRMVZONSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1C(=O)OC ZINC000589206521 398538847 /nfs/dbraw/zinc/53/88/47/398538847.db2.gz PFZXNGJMQLSYKC-BBRMVZONSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1C(=O)OC ZINC000589206521 398538852 /nfs/dbraw/zinc/53/88/52/398538852.db2.gz PFZXNGJMQLSYKC-BBRMVZONSA-N 2 1 320.433 2.545 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1cnn(C)c1)CC(C)C ZINC000459598015 299144806 /nfs/dbraw/zinc/14/48/06/299144806.db2.gz QRQVSVLZQCWMSN-UHFFFAOYSA-N 2 1 303.454 2.863 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1cnn(C)c1)CC(C)C ZINC000459598015 299144808 /nfs/dbraw/zinc/14/48/08/299144808.db2.gz QRQVSVLZQCWMSN-UHFFFAOYSA-N 2 1 303.454 2.863 20 0 DFADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cccc(F)c1 ZINC000321315799 398552946 /nfs/dbraw/zinc/55/29/46/398552946.db2.gz DUXUMIMKJZLWNR-IAGOWNOFSA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1cccc(F)c1 ZINC000321315799 398552951 /nfs/dbraw/zinc/55/29/51/398552951.db2.gz DUXUMIMKJZLWNR-IAGOWNOFSA-N 2 1 319.424 2.761 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597046769 398554327 /nfs/dbraw/zinc/55/43/27/398554327.db2.gz KQISPDREXJFOOV-ZDUSSCGKSA-N 2 1 310.825 2.558 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597046769 398554329 /nfs/dbraw/zinc/55/43/29/398554329.db2.gz KQISPDREXJFOOV-ZDUSSCGKSA-N 2 1 310.825 2.558 20 0 DFADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000323835439 398561506 /nfs/dbraw/zinc/56/15/06/398561506.db2.gz ROCRYRSEYDXDMQ-WMZOPIPTSA-N 2 1 309.457 2.880 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000152493497 186078591 /nfs/dbraw/zinc/07/85/91/186078591.db2.gz AEWCKCUZRREUIM-IIDMSEBBSA-N 2 1 306.450 2.782 20 0 DFADMP C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152490698 186078753 /nfs/dbraw/zinc/07/87/53/186078753.db2.gz PFELWPBZEUOYRI-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152490698 186078754 /nfs/dbraw/zinc/07/87/54/186078754.db2.gz PFELWPBZEUOYRI-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152490698 186078756 /nfs/dbraw/zinc/07/87/56/186078756.db2.gz PFELWPBZEUOYRI-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152490698 186078759 /nfs/dbraw/zinc/07/87/59/186078759.db2.gz PFELWPBZEUOYRI-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cc1)C(C)C ZINC000287184592 219367034 /nfs/dbraw/zinc/36/70/34/219367034.db2.gz LTKCPEBNIVVNKZ-HNNXBMFYSA-N 2 1 305.466 2.597 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000237478840 186295854 /nfs/dbraw/zinc/29/58/54/186295854.db2.gz BBYCLUNQXBPGKC-QAPCUYQASA-N 2 1 315.461 2.999 20 0 DFADMP COCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268755768 186380089 /nfs/dbraw/zinc/38/00/89/186380089.db2.gz XLIZYHGEADBTTN-MJGOQNOKSA-N 2 1 320.477 2.682 20 0 DFADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268755768 186380090 /nfs/dbraw/zinc/38/00/90/186380090.db2.gz XLIZYHGEADBTTN-MJGOQNOKSA-N 2 1 320.477 2.682 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000590698960 398654221 /nfs/dbraw/zinc/65/42/21/398654221.db2.gz QXFYYICOAWXTDL-CVEARBPZSA-N 2 1 315.452 2.522 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000590698961 398654331 /nfs/dbraw/zinc/65/43/31/398654331.db2.gz QXFYYICOAWXTDL-HOTGVXAUSA-N 2 1 315.452 2.522 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000459733025 299175907 /nfs/dbraw/zinc/17/59/07/299175907.db2.gz GFEIBQOZKPDAGD-DOTOQJQBSA-N 2 1 302.462 2.874 20 0 DFADMP OC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000290083823 186618289 /nfs/dbraw/zinc/61/82/89/186618289.db2.gz GYGDDLSKJGXVBA-IBGZPJMESA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1O ZINC000277226653 213380116 /nfs/dbraw/zinc/38/01/16/213380116.db2.gz MWIJWHMZHRKRRA-ZDUSSCGKSA-N 2 1 303.406 2.517 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1cn(Cc2ccccc2)nc1C(C)(C)C ZINC000414858029 295827165 /nfs/dbraw/zinc/82/71/65/295827165.db2.gz HMDFBGNPDQTXID-UHFFFAOYSA-N 2 1 314.477 2.928 20 0 DFADMP COCCCOc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459746238 299180840 /nfs/dbraw/zinc/18/08/40/299180840.db2.gz ZDOHCBOPSKHGAV-QGZVFWFLSA-N 2 1 320.477 2.923 20 0 DFADMP C[C@@H](C[NH2+]CCC[NH2+]Cc1cccnc1)CC1CCOCC1 ZINC000414888972 295830763 /nfs/dbraw/zinc/83/07/63/295830763.db2.gz YKIJNZSHYXORNJ-MRXNPFEDSA-N 2 1 305.466 2.604 20 0 DFADMP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(Cl)c1OC ZINC000414900794 295832216 /nfs/dbraw/zinc/83/22/16/295832216.db2.gz JBNMBYMTGHPEEN-MRXNPFEDSA-N 2 1 312.841 2.837 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1F ZINC000387444748 398666476 /nfs/dbraw/zinc/66/64/76/398666476.db2.gz ZQDLUSPSVOCPGB-UHFFFAOYSA-N 2 1 308.397 2.575 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414945711 295838342 /nfs/dbraw/zinc/83/83/42/295838342.db2.gz ISWPZENGYNIWOW-AAEUAGOBSA-N 2 1 312.841 2.977 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414955652 295840266 /nfs/dbraw/zinc/84/02/66/295840266.db2.gz MJNSEALXLQBKMG-LIRRHRJNSA-N 2 1 312.461 2.636 20 0 DFADMP CCCOc1c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cccc1OCC ZINC000414955601 295840373 /nfs/dbraw/zinc/84/03/73/295840373.db2.gz MEIXQWTUMGDMFW-HOCLYGCPSA-N 2 1 306.450 2.962 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091084 545595683 /nfs/dbraw/zinc/59/56/83/545595683.db2.gz XGNMXDZVYPLJIE-XGHPGWEVSA-N 2 1 324.415 2.503 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414961875 295841638 /nfs/dbraw/zinc/84/16/38/295841638.db2.gz ZGMOQGCMAVIGKZ-ZYHUDNBSSA-N 2 1 300.349 2.527 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414961871 295841669 /nfs/dbraw/zinc/84/16/69/295841669.db2.gz ZGMOQGCMAVIGKZ-CMPLNLGQSA-N 2 1 300.349 2.527 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122024624 282822759 /nfs/dbraw/zinc/82/27/59/282822759.db2.gz QOVJKAKWERGKJB-JKSUJKDBSA-N 2 1 323.481 2.649 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C(C)C ZINC000590787070 398675388 /nfs/dbraw/zinc/67/53/88/398675388.db2.gz WATUGBBFDIZGER-UHFFFAOYSA-N 2 1 311.514 2.684 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414990572 295844646 /nfs/dbraw/zinc/84/46/46/295844646.db2.gz ABVYCUBPJYYFCU-TWKWOARYSA-N 3 1 319.468 2.639 20 0 DFADMP CCOc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172844414 198157672 /nfs/dbraw/zinc/15/76/72/198157672.db2.gz SGNAVPHLYMNUOK-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172844414 198157673 /nfs/dbraw/zinc/15/76/73/198157673.db2.gz SGNAVPHLYMNUOK-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172844414 198157675 /nfs/dbraw/zinc/15/76/75/198157675.db2.gz SGNAVPHLYMNUOK-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172844414 198157677 /nfs/dbraw/zinc/15/76/77/198157677.db2.gz SGNAVPHLYMNUOK-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459784643 299191512 /nfs/dbraw/zinc/19/15/12/299191512.db2.gz ODBBGIIDJQUVCN-CVEARBPZSA-N 2 1 320.477 2.956 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000415012006 295847155 /nfs/dbraw/zinc/84/71/55/295847155.db2.gz WTXUURMJRZRVTQ-NSHDSACASA-N 2 1 319.193 2.784 20 0 DFADMP CN(C[C@H]1CC[N@@H+](C)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073424010 398680611 /nfs/dbraw/zinc/68/06/11/398680611.db2.gz JCMURDDVUQWOIM-HNNXBMFYSA-N 2 1 324.428 2.849 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000397981311 398682244 /nfs/dbraw/zinc/68/22/44/398682244.db2.gz MQEQQBYYPACACJ-JXFKEZNVSA-N 2 1 320.440 2.953 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000397981311 398682250 /nfs/dbraw/zinc/68/22/50/398682250.db2.gz MQEQQBYYPACACJ-JXFKEZNVSA-N 2 1 320.440 2.953 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)CC1 ZINC000277152558 213330343 /nfs/dbraw/zinc/33/03/43/213330343.db2.gz JSWWSYRPJLVXMK-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)OCc2ccccc2)CC1 ZINC000277152558 213330345 /nfs/dbraw/zinc/33/03/45/213330345.db2.gz JSWWSYRPJLVXMK-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000459791024 299193791 /nfs/dbraw/zinc/19/37/91/299193791.db2.gz ROWJZDNXQVWOAT-CRAIPNDOSA-N 2 1 302.462 2.874 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000459794938 299195015 /nfs/dbraw/zinc/19/50/15/299195015.db2.gz VBOAZXLLAAUXRA-SNVBAGLBSA-N 2 1 307.385 2.983 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CNCc1ncc(C[NH+](C)C)s1 ZINC000415061773 295853035 /nfs/dbraw/zinc/85/30/35/295853035.db2.gz DIHSDZTZVPCIMC-INIZCTEOSA-N 2 1 318.490 2.557 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000105476358 398693575 /nfs/dbraw/zinc/69/35/75/398693575.db2.gz QOWFLQDZVJTYIH-FBMGVBCBSA-N 2 1 301.478 2.707 20 0 DFADMP CC(C)OC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174395776 198329869 /nfs/dbraw/zinc/32/98/69/198329869.db2.gz DKJMJPFCMYMLKM-SFHVURJKSA-N 2 1 318.461 2.782 20 0 DFADMP CC(C)OC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174395776 198329870 /nfs/dbraw/zinc/32/98/70/198329870.db2.gz DKJMJPFCMYMLKM-SFHVURJKSA-N 2 1 318.461 2.782 20 0 DFADMP CC(C)OC(=O)CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174395776 198329872 /nfs/dbraw/zinc/32/98/72/198329872.db2.gz DKJMJPFCMYMLKM-SFHVURJKSA-N 2 1 318.461 2.782 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[NH+](C)C3)cc2)C1 ZINC000591096321 398726225 /nfs/dbraw/zinc/72/62/25/398726225.db2.gz CVAASAKSJYSBAU-RDJZCZTQSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@H+](C)C3)cc2)C1 ZINC000591096321 398726227 /nfs/dbraw/zinc/72/62/27/398726227.db2.gz CVAASAKSJYSBAU-RDJZCZTQSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)cc2)C1 ZINC000591096321 398726231 /nfs/dbraw/zinc/72/62/31/398726231.db2.gz CVAASAKSJYSBAU-RDJZCZTQSA-N 2 1 315.461 2.809 20 0 DFADMP CC[C@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)C ZINC000591154108 398733385 /nfs/dbraw/zinc/73/33/85/398733385.db2.gz DOYILOMHVZQGGH-OAHLLOKOSA-N 2 1 318.465 2.844 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2C1 ZINC000236817635 202023962 /nfs/dbraw/zinc/02/39/62/202023962.db2.gz KLADIZMUCZKPJF-MRXNPFEDSA-N 2 1 313.445 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC34CC[NH2+]CC4)c2C1 ZINC000236817635 202023966 /nfs/dbraw/zinc/02/39/66/202023966.db2.gz KLADIZMUCZKPJF-MRXNPFEDSA-N 2 1 313.445 2.740 20 0 DFADMP Cc1[nH+]ccn1-c1ccccc1CNC(=O)CCCC[NH+](C)C ZINC000591446585 398762027 /nfs/dbraw/zinc/76/20/27/398762027.db2.gz IOROGDDMSQSJLK-UHFFFAOYSA-N 2 1 314.433 2.529 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236888626 202055228 /nfs/dbraw/zinc/05/52/28/202055228.db2.gz KKKDJEPTALZLPI-YOEHRIQHSA-N 2 1 305.466 2.516 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1)C(C)C ZINC000236992356 202112698 /nfs/dbraw/zinc/11/26/98/202112698.db2.gz OTCUYAVGSBAWLC-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000134983442 283205049 /nfs/dbraw/zinc/20/50/49/283205049.db2.gz NTPGOGKHTOVCGZ-UHFFFAOYSA-N 2 1 309.841 2.695 20 0 DFADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348894 283216249 /nfs/dbraw/zinc/21/62/49/283216249.db2.gz CYFRDXYDHAQKTE-SJLPKXTDSA-N 2 1 323.525 2.876 20 0 DFADMP C[NH2+]CCCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000237185181 202181125 /nfs/dbraw/zinc/18/11/25/202181125.db2.gz HKVLNYDWLVOMMJ-MRXNPFEDSA-N 2 1 317.477 2.677 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000136401667 283239278 /nfs/dbraw/zinc/23/92/78/283239278.db2.gz FRWPXMLKDUGYDI-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CNC(=O)OC(C)(C)C ZINC000136401667 283239281 /nfs/dbraw/zinc/23/92/81/283239281.db2.gz FRWPXMLKDUGYDI-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000594494439 398808962 /nfs/dbraw/zinc/80/89/62/398808962.db2.gz BHVLFSPYHRYFKC-GVDBMIGSSA-N 2 1 312.523 2.894 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000151726146 283294337 /nfs/dbraw/zinc/29/43/37/283294337.db2.gz KOPGFZBUEQWKOH-IHPCNDPISA-N 2 1 317.521 2.869 20 0 DFADMP CS[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000594499552 398810865 /nfs/dbraw/zinc/81/08/65/398810865.db2.gz FUFYPCZJBAIZCB-CVEARBPZSA-N 2 1 314.539 2.997 20 0 DFADMP CSCc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000594501432 398810868 /nfs/dbraw/zinc/81/08/68/398810868.db2.gz WCARGYDFWNAHLR-GOSISDBHSA-N 2 1 320.502 2.893 20 0 DFADMP CS[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000594499553 398810981 /nfs/dbraw/zinc/81/09/81/398810981.db2.gz FUFYPCZJBAIZCB-HOTGVXAUSA-N 2 1 314.539 2.997 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000594520572 398815149 /nfs/dbraw/zinc/81/51/49/398815149.db2.gz JLUILCWAVPANFE-XHSDSOJGSA-N 2 1 312.498 2.920 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000075787969 398822206 /nfs/dbraw/zinc/82/22/06/398822206.db2.gz JEMJOUQIRAZFFE-QYZOEREBSA-N 2 1 300.446 2.648 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000075787969 398822209 /nfs/dbraw/zinc/82/22/09/398822209.db2.gz JEMJOUQIRAZFFE-QYZOEREBSA-N 2 1 300.446 2.648 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000075787969 398822210 /nfs/dbraw/zinc/82/22/10/398822210.db2.gz JEMJOUQIRAZFFE-QYZOEREBSA-N 2 1 300.446 2.648 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000075819439 398823696 /nfs/dbraw/zinc/82/36/96/398823696.db2.gz OOEPFGYCTJRVBP-UHFFFAOYSA-N 2 1 312.461 2.836 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000152389520 283321107 /nfs/dbraw/zinc/32/11/07/283321107.db2.gz VCPJYSBVETWIJR-RBSFLKMASA-N 2 1 317.468 2.672 20 0 DFADMP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184223 398834015 /nfs/dbraw/zinc/83/40/15/398834015.db2.gz QZEAOJMUSFHGCS-KRWDZBQOSA-N 2 1 323.525 2.591 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)C(C)C)CC1 ZINC000052208735 398835551 /nfs/dbraw/zinc/83/55/51/398835551.db2.gz KXISCTJDFUQPQQ-MRXNPFEDSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000276696595 213052838 /nfs/dbraw/zinc/05/28/38/213052838.db2.gz SYYXRGPHXYWNSZ-GOEBONIOSA-N 2 1 312.404 2.911 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000276696595 213052842 /nfs/dbraw/zinc/05/28/42/213052842.db2.gz SYYXRGPHXYWNSZ-GOEBONIOSA-N 2 1 312.404 2.911 20 0 DFADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)OCCO1 ZINC000180166918 199125913 /nfs/dbraw/zinc/12/59/13/199125913.db2.gz ALUDZGIUVBJIAP-AYHJJNSGSA-N 2 1 316.445 2.535 20 0 DFADMP CC[C@@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166611 199125932 /nfs/dbraw/zinc/12/59/32/199125932.db2.gz XCVPNHCBSZQBKS-CADBVGFASA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000467613379 299273925 /nfs/dbraw/zinc/27/39/25/299273925.db2.gz LTINSLFITNSWFO-SJORKVTESA-N 2 1 323.525 2.734 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734979 398851948 /nfs/dbraw/zinc/85/19/48/398851948.db2.gz GYJFGVSXGGMQLB-SFHVURJKSA-N 2 1 316.445 2.685 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000468111577 299276020 /nfs/dbraw/zinc/27/60/20/299276020.db2.gz VSYAONYXTUKSJT-ULQDDVLXSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000468111577 299276022 /nfs/dbraw/zinc/27/60/22/299276022.db2.gz VSYAONYXTUKSJT-ULQDDVLXSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000468111577 299276025 /nfs/dbraw/zinc/27/60/25/299276025.db2.gz VSYAONYXTUKSJT-ULQDDVLXSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276626484 213009535 /nfs/dbraw/zinc/00/95/35/213009535.db2.gz NBDHSZRDRBQWPE-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC)C1CCCCC1 ZINC000594944686 398878531 /nfs/dbraw/zinc/87/85/31/398878531.db2.gz BCLCFDXBWCIUOW-PVAVHDDUSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1cccc(NC2CCN(CC[NH+]3CCCCC3)CC2)[nH+]1 ZINC000077316746 398897645 /nfs/dbraw/zinc/89/76/45/398897645.db2.gz LBANTGYTKYYLHC-UHFFFAOYSA-N 2 1 302.466 2.752 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000469985517 299290781 /nfs/dbraw/zinc/29/07/81/299290781.db2.gz YKSDNTVCEYYQNB-YESZJQIVSA-N 2 1 323.525 2.876 20 0 DFADMP C[S@](=O)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000595068099 398901773 /nfs/dbraw/zinc/90/17/73/398901773.db2.gz ISQZZMICPGCBOY-SIFCLUCFSA-N 2 1 300.512 2.529 20 0 DFADMP CSCC1(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000595070699 398902134 /nfs/dbraw/zinc/90/21/34/398902134.db2.gz METFIZFHTXMDHE-INIZCTEOSA-N 2 1 312.523 2.753 20 0 DFADMP c1cc(CCC[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000281015204 216024024 /nfs/dbraw/zinc/02/40/24/216024024.db2.gz YYHAASUFGLLRTI-ROUUACIJSA-N 2 1 300.446 2.771 20 0 DFADMP COC(=O)CC1CCC([NH2+]CCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000599021991 398909246 /nfs/dbraw/zinc/90/92/46/398909246.db2.gz MRFSSFLPNKRCNW-KLAILNCOSA-N 2 1 310.482 2.962 20 0 DFADMP CCC[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000187677603 200143420 /nfs/dbraw/zinc/14/34/20/200143420.db2.gz LXWWBERJGBJDNY-GOSISDBHSA-N 2 1 303.494 2.925 20 0 DFADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000148720596 398915935 /nfs/dbraw/zinc/91/59/35/398915935.db2.gz QJTYTVCHQCHNQD-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP COCCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281131601 216100214 /nfs/dbraw/zinc/10/02/14/216100214.db2.gz CXHHSIMMNKWNPQ-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP COCCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000281131601 216100218 /nfs/dbraw/zinc/10/02/18/216100218.db2.gz CXHHSIMMNKWNPQ-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281136151 216103653 /nfs/dbraw/zinc/10/36/53/216103653.db2.gz FLQFNNJOAWROKJ-MSOLQXFVSA-N 2 1 319.493 2.974 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188712684 200292026 /nfs/dbraw/zinc/29/20/26/200292026.db2.gz VBPPKCWAMMEQIR-JLJPHGGASA-N 2 1 319.424 2.700 20 0 DFADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC000471835199 299309587 /nfs/dbraw/zinc/30/95/87/299309587.db2.gz UTUCBEBWTZCZPY-RTBURBONSA-N 2 1 312.461 2.555 20 0 DFADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000281239597 216177063 /nfs/dbraw/zinc/17/70/63/216177063.db2.gz NDIJJWLCFQTZOB-YVEFUNNKSA-N 2 1 304.409 2.896 20 0 DFADMP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000292446399 223085518 /nfs/dbraw/zinc/08/55/18/223085518.db2.gz XLSUNHCBVKFLKA-RDJZCZTQSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000292446399 223085519 /nfs/dbraw/zinc/08/55/19/223085519.db2.gz XLSUNHCBVKFLKA-RDJZCZTQSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000292446399 223085521 /nfs/dbraw/zinc/08/55/21/223085521.db2.gz XLSUNHCBVKFLKA-RDJZCZTQSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000292446399 223085522 /nfs/dbraw/zinc/08/55/22/223085522.db2.gz XLSUNHCBVKFLKA-RDJZCZTQSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000157870810 398956306 /nfs/dbraw/zinc/95/63/06/398956306.db2.gz UXOMAICOQZQXNZ-HNNXBMFYSA-N 2 1 317.468 2.960 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCn2cc[nH+]c2C)[C@@H]1C ZINC000595554179 398969147 /nfs/dbraw/zinc/96/91/47/398969147.db2.gz HXMASCMBJINAIC-SQWLQELKSA-N 2 1 307.438 2.634 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCn2cc[nH+]c2C)[C@@H]1C ZINC000595554179 398969151 /nfs/dbraw/zinc/96/91/51/398969151.db2.gz HXMASCMBJINAIC-SQWLQELKSA-N 2 1 307.438 2.634 20 0 DFADMP C[C@@H](C[S@@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193280519 201019116 /nfs/dbraw/zinc/01/91/16/201019116.db2.gz JPPYYWLFSBXTNR-QWOVUKFKSA-N 2 1 320.502 2.539 20 0 DFADMP C[C@@H](C[S@@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193280519 201019118 /nfs/dbraw/zinc/01/91/18/201019118.db2.gz JPPYYWLFSBXTNR-QWOVUKFKSA-N 2 1 320.502 2.539 20 0 DFADMP COC(=O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150591 398972763 /nfs/dbraw/zinc/97/27/63/398972763.db2.gz FDHDPVPMYQHFLL-LPHOPBHVSA-N 2 1 318.461 2.580 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271870195 209282167 /nfs/dbraw/zinc/28/21/67/209282167.db2.gz MJUGLTAGJMTCCI-MRXNPFEDSA-N 3 1 317.477 2.540 20 0 DFADMP c1ccc(CC[NH+]2CCC(N[C@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000195267015 201369639 /nfs/dbraw/zinc/36/96/39/201369639.db2.gz WMDXSUZTYASPOG-IBGZPJMESA-N 2 1 313.489 2.520 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC000474887575 299339453 /nfs/dbraw/zinc/33/94/53/299339453.db2.gz QBZLKGWBBBWEHK-MWDXBVQZSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC000474887575 299339458 /nfs/dbraw/zinc/33/94/58/299339458.db2.gz QBZLKGWBBBWEHK-MWDXBVQZSA-N 2 1 310.482 2.674 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)n(C)n1 ZINC000417877287 296060243 /nfs/dbraw/zinc/06/02/43/296060243.db2.gz NVDHABQJROKXBE-HNNXBMFYSA-N 2 1 318.490 2.792 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)n(C)n1 ZINC000417877287 296060246 /nfs/dbraw/zinc/06/02/46/296060246.db2.gz NVDHABQJROKXBE-HNNXBMFYSA-N 2 1 318.490 2.792 20 0 DFADMP CN(C)C(=O)c1ccccc1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000417874448 296059683 /nfs/dbraw/zinc/05/96/83/296059683.db2.gz KQUFPDKRVOPGRU-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC[N@@H+](CCCNC(=O)CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000621666249 399016061 /nfs/dbraw/zinc/01/60/61/399016061.db2.gz NGJVKUDDMODUAB-QGZVFWFLSA-N 2 1 323.525 2.927 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Oc3cnccn3)cc2)CC1 ZINC000271800001 209226321 /nfs/dbraw/zinc/22/63/21/209226321.db2.gz IPQUBPWZSJMKGK-UHFFFAOYSA-N 2 1 310.401 2.620 20 0 DFADMP CC[C@H](C(=O)OC)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476984757 299358446 /nfs/dbraw/zinc/35/84/46/299358446.db2.gz MPBKWNSFTDOJKT-DOTOQJQBSA-N 2 1 310.482 2.915 20 0 DFADMP CC[C@H](C(=O)OC)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476984757 299358449 /nfs/dbraw/zinc/35/84/49/299358449.db2.gz MPBKWNSFTDOJKT-DOTOQJQBSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC000606369341 399059474 /nfs/dbraw/zinc/05/94/74/399059474.db2.gz MRWAYZMJXZVUDK-SFHVURJKSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000606369341 399059478 /nfs/dbraw/zinc/05/94/78/399059478.db2.gz MRWAYZMJXZVUDK-SFHVURJKSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000606369341 399059484 /nfs/dbraw/zinc/05/94/84/399059484.db2.gz MRWAYZMJXZVUDK-SFHVURJKSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@]1(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC[NH2+]C1 ZINC000261890453 291380672 /nfs/dbraw/zinc/38/06/72/291380672.db2.gz SYGLYCBLBVYDNP-QAPCUYQASA-N 2 1 302.418 2.594 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC[NH2+]C1 ZINC000261890453 291380675 /nfs/dbraw/zinc/38/06/75/291380675.db2.gz SYGLYCBLBVYDNP-QAPCUYQASA-N 2 1 302.418 2.594 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@H]12 ZINC000595734607 399061636 /nfs/dbraw/zinc/06/16/36/399061636.db2.gz UJJJNDBLVFFCPO-HZMVEIRTSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCCC[C@H]12 ZINC000595734607 399061640 /nfs/dbraw/zinc/06/16/40/399061640.db2.gz UJJJNDBLVFFCPO-HZMVEIRTSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]2CCCC[C@H]12 ZINC000595734607 399061645 /nfs/dbraw/zinc/06/16/45/399061645.db2.gz UJJJNDBLVFFCPO-HZMVEIRTSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@@H]2CCCC[C@@H]12 ZINC000595735286 399063118 /nfs/dbraw/zinc/06/31/18/399063118.db2.gz WLHQBRBLOBALFC-GVDBMIGSSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@@H]2CCCC[C@@H]12 ZINC000595735286 399063121 /nfs/dbraw/zinc/06/31/21/399063121.db2.gz WLHQBRBLOBALFC-GVDBMIGSSA-N 2 1 319.449 2.635 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC1 ZINC000271770110 209200487 /nfs/dbraw/zinc/20/04/87/209200487.db2.gz BJCPDELWMAETKS-UHFFFAOYSA-N 2 1 318.371 2.706 20 0 DFADMP CC[NH+]1CCC([NH2+]CCOc2ncccc2C(F)(F)F)CC1 ZINC000271762475 209192394 /nfs/dbraw/zinc/19/23/94/209192394.db2.gz ZXODNUZCWYXVSZ-UHFFFAOYSA-N 2 1 317.355 2.553 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079655167 399072548 /nfs/dbraw/zinc/07/25/48/399072548.db2.gz OGDBPEIGFHYLKZ-SFHVURJKSA-N 2 1 323.525 2.735 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293001202 284012199 /nfs/dbraw/zinc/01/21/99/284012199.db2.gz OXIJZMUIZFRXPG-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293001202 284012203 /nfs/dbraw/zinc/01/22/03/284012203.db2.gz OXIJZMUIZFRXPG-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293001202 284012209 /nfs/dbraw/zinc/01/22/09/284012209.db2.gz OXIJZMUIZFRXPG-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000293001202 284012210 /nfs/dbraw/zinc/01/22/10/284012210.db2.gz OXIJZMUIZFRXPG-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000092253653 193181197 /nfs/dbraw/zinc/18/11/97/193181197.db2.gz FEDXEWANQUMRQB-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H]1CCC[NH+](C)C1 ZINC000092253653 193181199 /nfs/dbraw/zinc/18/11/99/193181199.db2.gz FEDXEWANQUMRQB-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253653 193181201 /nfs/dbraw/zinc/18/12/01/193181201.db2.gz FEDXEWANQUMRQB-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253653 193181203 /nfs/dbraw/zinc/18/12/03/193181203.db2.gz FEDXEWANQUMRQB-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000093074743 193201144 /nfs/dbraw/zinc/20/11/44/193201144.db2.gz OFVNVQRBECNRAG-QAPCUYQASA-N 2 1 317.477 2.520 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262138078 203208805 /nfs/dbraw/zinc/20/88/05/203208805.db2.gz LNUAXVSODHIPPU-CRAIPNDOSA-N 2 1 317.477 2.805 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000093133171 193205102 /nfs/dbraw/zinc/20/51/02/193205102.db2.gz JISNIRUWYCGICL-IBGZPJMESA-N 2 1 301.478 2.515 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000174350563 399110214 /nfs/dbraw/zinc/11/02/14/399110214.db2.gz WYRHTGSOQGOJGF-CQSZACIVSA-N 2 1 324.432 2.507 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(F)c1 ZINC000340172819 284154807 /nfs/dbraw/zinc/15/48/07/284154807.db2.gz BSAUARDNWFCOON-CQSZACIVSA-N 2 1 317.364 2.715 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275000604 212066518 /nfs/dbraw/zinc/06/65/18/212066518.db2.gz NPJQMNGSHKMMKG-MRXNPFEDSA-N 2 1 314.832 2.806 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597446 193272893 /nfs/dbraw/zinc/27/28/93/193272893.db2.gz NIIORLWXSPTAGL-QGZVFWFLSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597446 193272895 /nfs/dbraw/zinc/27/28/95/193272895.db2.gz NIIORLWXSPTAGL-QGZVFWFLSA-N 2 1 301.434 2.563 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000093639055 193279060 /nfs/dbraw/zinc/27/90/60/193279060.db2.gz XSNPASFQBZFCND-KDOFPFPSSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000093639055 193279063 /nfs/dbraw/zinc/27/90/63/193279063.db2.gz XSNPASFQBZFCND-KDOFPFPSSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000093639055 193279064 /nfs/dbraw/zinc/27/90/64/193279064.db2.gz XSNPASFQBZFCND-KDOFPFPSSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000093639055 193279067 /nfs/dbraw/zinc/27/90/67/193279067.db2.gz XSNPASFQBZFCND-KDOFPFPSSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000093693745 193290645 /nfs/dbraw/zinc/29/06/45/193290645.db2.gz IZEMRUXGEQIMKB-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000093693745 193290647 /nfs/dbraw/zinc/29/06/47/193290647.db2.gz IZEMRUXGEQIMKB-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093693199 193290949 /nfs/dbraw/zinc/29/09/49/193290949.db2.gz QSPONNMAUNZTBW-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093693199 193290950 /nfs/dbraw/zinc/29/09/50/193290950.db2.gz QSPONNMAUNZTBW-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895938 399126411 /nfs/dbraw/zinc/12/64/11/399126411.db2.gz WQYQEMGVJSXBHF-LSDHHAIUSA-N 2 1 322.474 2.746 20 0 DFADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@]1(C)CCCO1 ZINC000340298227 284170663 /nfs/dbraw/zinc/17/06/63/284170663.db2.gz XPIZUTIHPHIMNL-IAGOWNOFSA-N 2 1 310.482 2.569 20 0 DFADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc1OC(F)F ZINC000093874364 193322547 /nfs/dbraw/zinc/32/25/47/193322547.db2.gz CJJOMLYLUJXJMT-UHFFFAOYSA-N 2 1 302.365 2.713 20 0 DFADMP CN1CC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C[C@@H]1c1ccccc1 ZINC000340398396 284180052 /nfs/dbraw/zinc/18/00/52/284180052.db2.gz ZTSGSQGXNXIJNC-TXPKVOOTSA-N 3 1 310.445 2.692 20 0 DFADMP C[C@H](C(=O)NCCC[NH2+]C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000419909513 296151295 /nfs/dbraw/zinc/15/12/95/296151295.db2.gz MHMBIRKPTHAOIQ-OWCLPIDISA-N 2 1 309.498 2.676 20 0 DFADMP O=C(NCCC[NH2+]C1CCCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000419922357 296151691 /nfs/dbraw/zinc/15/16/91/296151691.db2.gz OUVGQUHYBMNFEM-SFHVURJKSA-N 2 1 321.509 2.822 20 0 DFADMP CSC[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274964652 212046538 /nfs/dbraw/zinc/04/65/38/212046538.db2.gz XFKATDJSDFTTNO-RYQLBKOJSA-N 2 1 322.518 2.601 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274925760 212037989 /nfs/dbraw/zinc/03/79/89/212037989.db2.gz PUAXHTIDCGBMRS-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccc(Cl)cn2)CC1 ZINC000274907605 212025740 /nfs/dbraw/zinc/02/57/40/212025740.db2.gz MLRABLWOUPZXMH-OAHLLOKOSA-N 2 1 324.900 2.803 20 0 DFADMP C[C@H]1[C@@H]([NH3+])CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000420247209 296165362 /nfs/dbraw/zinc/16/53/62/296165362.db2.gz GRPQUTXYJYGVOS-CABZTGNLSA-N 2 1 306.207 2.923 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000484836315 299419876 /nfs/dbraw/zinc/41/98/76/299419876.db2.gz NWYZOKZCEOGOBZ-NXWXRZEISA-N 2 1 302.462 2.927 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279926 296168647 /nfs/dbraw/zinc/16/86/47/296168647.db2.gz XTXASAQXVIHMTO-SWLSCSKDSA-N 2 1 309.841 2.870 20 0 DFADMP Cc1[nH+]c2ccccc2c(NC[C@@H]2CC[NH2+]CC2(F)F)c1C ZINC000420278383 296168712 /nfs/dbraw/zinc/16/87/12/296168712.db2.gz JFRSTIVEOMZWCI-ZDUSSCGKSA-N 2 1 305.372 2.930 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000420286451 296169701 /nfs/dbraw/zinc/16/97/01/296169701.db2.gz GQUZLQDCCATQJC-UHFFFAOYSA-N 2 1 313.445 2.981 20 0 DFADMP [NH3+]CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000420297465 296170773 /nfs/dbraw/zinc/17/07/73/296170773.db2.gz FURGLIFNKXRIMI-ZDUSSCGKSA-N 2 1 320.824 2.918 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC[NH3+])[C@@H]2CCCC[C@H]12 ZINC000420302082 296171635 /nfs/dbraw/zinc/17/16/35/296171635.db2.gz LZPAKPHMULSZLA-FIDHJVLJSA-N 2 1 309.498 2.519 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000420299191 296171285 /nfs/dbraw/zinc/17/12/85/296171285.db2.gz TWXJFDHLMAWEOI-SNVBAGLBSA-N 2 1 322.359 2.574 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420301504 296171555 /nfs/dbraw/zinc/17/15/55/296171555.db2.gz FDPRVZVOCKDJFB-QMCVQRASSA-N 2 1 315.461 2.635 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420301504 296171556 /nfs/dbraw/zinc/17/15/56/296171556.db2.gz FDPRVZVOCKDJFB-QMCVQRASSA-N 2 1 315.461 2.635 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C[C@@H](C)O)C2CCCCC2)cc1 ZINC000420300738 296171566 /nfs/dbraw/zinc/17/15/66/296171566.db2.gz KKXVACQTOCZCCO-WBVHZDCISA-N 2 1 320.477 2.753 20 0 DFADMP CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420301597 296171598 /nfs/dbraw/zinc/17/15/98/296171598.db2.gz LPGCCBLHUAVMGC-GJZGRUSLSA-N 2 1 324.469 2.625 20 0 DFADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420301597 296171599 /nfs/dbraw/zinc/17/15/99/296171599.db2.gz LPGCCBLHUAVMGC-GJZGRUSLSA-N 2 1 324.469 2.625 20 0 DFADMP CC(C)[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000420314140 296173565 /nfs/dbraw/zinc/17/35/65/296173565.db2.gz YVMKCWPCEYMTEW-FHWLQOOXSA-N 2 1 304.478 2.675 20 0 DFADMP c1ccc(C[N@H+](CC[C@H]2CCCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420313718 296173678 /nfs/dbraw/zinc/17/36/78/296173678.db2.gz PTTJWSWFTGJWRM-RBUKOAKNSA-N 2 1 317.477 2.985 20 0 DFADMP CC(C)(C)C[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312788 296173783 /nfs/dbraw/zinc/17/37/83/296173783.db2.gz XGSFTAZRTFHVLI-SQNIBIBYSA-N 2 1 304.478 2.818 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000420313543 296173863 /nfs/dbraw/zinc/17/38/63/296173863.db2.gz UKMNOJQKEXAVRR-KRWDZBQOSA-N 2 1 304.434 2.531 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420313095 296173880 /nfs/dbraw/zinc/17/38/80/296173880.db2.gz INNCBRNZPOSPPT-NEPJUHHUSA-N 2 1 318.442 2.857 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420313095 296173881 /nfs/dbraw/zinc/17/38/81/296173881.db2.gz INNCBRNZPOSPPT-NEPJUHHUSA-N 2 1 318.442 2.857 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000341886720 284283054 /nfs/dbraw/zinc/28/30/54/284283054.db2.gz CCTSYEHGTZYFQA-GRDNDAEWSA-N 2 1 306.450 2.565 20 0 DFADMP CC[N@@H+](CCC[NH3+])C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000420315623 296174210 /nfs/dbraw/zinc/17/42/10/296174210.db2.gz LAGFHCJADLPIAC-UHFFFAOYSA-N 2 1 319.497 2.548 20 0 DFADMP COc1ccc([C@H](C)C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000271744221 209174849 /nfs/dbraw/zinc/17/48/49/209174849.db2.gz AOKOJWZUBFBSGC-MRXNPFEDSA-N 2 1 320.477 2.577 20 0 DFADMP COc1ccc([C@H](C)C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000271744221 209174852 /nfs/dbraw/zinc/17/48/52/209174852.db2.gz AOKOJWZUBFBSGC-MRXNPFEDSA-N 2 1 320.477 2.577 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420324552 296175206 /nfs/dbraw/zinc/17/52/06/296175206.db2.gz VQIFGPPXMJJMHB-AWEZNQCLSA-N 2 1 304.434 2.668 20 0 DFADMP CCCCc1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cs1 ZINC000420323785 296175448 /nfs/dbraw/zinc/17/54/48/296175448.db2.gz BLSYIEQAKBAUPZ-WBVHZDCISA-N 2 1 323.506 2.814 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)cc1OC ZINC000420326220 296175598 /nfs/dbraw/zinc/17/55/98/296175598.db2.gz WYPPOQBJGTVFHH-OAHLLOKOSA-N 2 1 306.450 2.834 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCCCC1 ZINC000420327279 296175721 /nfs/dbraw/zinc/17/57/21/296175721.db2.gz YBVXIBJUJOMCHL-ZCNNSNEGSA-N 2 1 316.489 2.962 20 0 DFADMP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420325872 296175731 /nfs/dbraw/zinc/17/57/31/296175731.db2.gz WWTAPBUONHZRDC-VDGAXYAQSA-N 2 1 312.457 2.919 20 0 DFADMP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000420325749 296175817 /nfs/dbraw/zinc/17/58/17/296175817.db2.gz BTGDUYBLLRTDIG-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000420325749 296175818 /nfs/dbraw/zinc/17/58/18/296175818.db2.gz BTGDUYBLLRTDIG-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338906 296177445 /nfs/dbraw/zinc/17/74/45/296177445.db2.gz YGYGHTWLWNTGHF-UONOGXRCSA-N 2 1 322.474 2.665 20 0 DFADMP Fc1ccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420334982 296176803 /nfs/dbraw/zinc/17/68/03/296176803.db2.gz GZRSGOBVGDKABW-HZPDHXFCSA-N 2 1 306.425 2.916 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929120 284293682 /nfs/dbraw/zinc/29/36/82/284293682.db2.gz BGPSKMJTYNBGOS-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929120 284293683 /nfs/dbraw/zinc/29/36/83/284293683.db2.gz BGPSKMJTYNBGOS-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929120 284293684 /nfs/dbraw/zinc/29/36/84/284293684.db2.gz BGPSKMJTYNBGOS-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929120 284293687 /nfs/dbraw/zinc/29/36/87/284293687.db2.gz BGPSKMJTYNBGOS-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC12CCOCC2 ZINC000420337724 296177096 /nfs/dbraw/zinc/17/70/96/296177096.db2.gz WYXKPFGEFNHSNO-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC12CCOCC2 ZINC000420337724 296177097 /nfs/dbraw/zinc/17/70/97/296177097.db2.gz WYXKPFGEFNHSNO-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343439 296177737 /nfs/dbraw/zinc/17/77/37/296177737.db2.gz ZBDBYSCMJWXTDU-ROUUACIJSA-N 2 1 316.445 2.673 20 0 DFADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342398 296177877 /nfs/dbraw/zinc/17/78/77/296177877.db2.gz QTAUGAZKGHMAJZ-OIISXLGYSA-N 2 1 315.461 2.507 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344979 296178096 /nfs/dbraw/zinc/17/80/96/296178096.db2.gz VJRVAFLILJDPFA-DLBZAZTESA-N 2 1 318.461 2.786 20 0 DFADMP c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420344593 296178121 /nfs/dbraw/zinc/17/81/21/296178121.db2.gz UEYGWJOMNSQKSI-HZPDHXFCSA-N 2 1 312.417 2.558 20 0 DFADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420344033 296178156 /nfs/dbraw/zinc/17/81/56/296178156.db2.gz RUDQQQXHKILSPR-KGLIPLIRSA-N 2 1 321.852 2.600 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420347380 296178504 /nfs/dbraw/zinc/17/85/04/296178504.db2.gz YILFXYXRAZWWKS-BHYGNILZSA-N 2 1 315.461 2.507 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420347149 296178571 /nfs/dbraw/zinc/17/85/71/296178571.db2.gz XRIYZECWOTTZDF-ZACQAIPSSA-N 2 1 315.461 2.562 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000282506281 217049091 /nfs/dbraw/zinc/04/90/91/217049091.db2.gz YNYIXVUCDRHZEI-LJQANCHMSA-N 2 1 315.505 2.988 20 0 DFADMP c1nc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000420362118 296180365 /nfs/dbraw/zinc/18/03/65/296180365.db2.gz AHRHMWXQYIPLPB-IAGOWNOFSA-N 2 1 316.493 2.789 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000420367227 296181308 /nfs/dbraw/zinc/18/13/08/296181308.db2.gz MVBCUTPROQGNQW-XHBSWPGZSA-N 2 1 309.841 2.645 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000420368626 296181414 /nfs/dbraw/zinc/18/14/14/296181414.db2.gz NVAPDBNYPBAVSW-HSMVNMDESA-N 2 1 309.841 2.645 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364971 296180864 /nfs/dbraw/zinc/18/08/64/296180864.db2.gz RQMZKTJBNWKWKA-IEBWSBKVSA-N 2 1 311.429 2.970 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c1 ZINC000420366467 296181181 /nfs/dbraw/zinc/18/11/81/296181181.db2.gz RDKKMWYBDWREOW-QGZVFWFLSA-N 2 1 317.477 2.550 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000420370536 296181947 /nfs/dbraw/zinc/18/19/47/296181947.db2.gz WENKGSDQHZPEMH-CYBMUJFWSA-N 2 1 322.840 2.896 20 0 DFADMP C[N@@H+](Cc1cccc(C(F)(F)F)c1)C1CCN(CC[NH3+])CC1 ZINC000420370753 296181930 /nfs/dbraw/zinc/18/19/30/296181930.db2.gz ZBDKNSJQRDTRFD-UHFFFAOYSA-N 2 1 315.383 2.560 20 0 DFADMP CC[C@H](c1ccccc1)[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420373633 296182462 /nfs/dbraw/zinc/18/24/62/296182462.db2.gz MRNPNOVKLUAINW-NVXWUHKLSA-N 2 1 304.434 2.612 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420376403 296182855 /nfs/dbraw/zinc/18/28/55/296182855.db2.gz OYOAMDVITJIKBS-IBGZPJMESA-N 2 1 302.462 2.711 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378045 296183321 /nfs/dbraw/zinc/18/33/21/296183321.db2.gz BAQHKPBZDWOJDZ-FUHWJXTLSA-N 2 1 316.445 2.732 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378045 296183322 /nfs/dbraw/zinc/18/33/22/296183322.db2.gz BAQHKPBZDWOJDZ-FUHWJXTLSA-N 2 1 316.445 2.732 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378069 296183326 /nfs/dbraw/zinc/18/33/26/296183326.db2.gz BBWLAKZYJNYAMB-RDJZCZTQSA-N 2 1 312.461 2.580 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420381268 296183390 /nfs/dbraw/zinc/18/33/90/296183390.db2.gz ZDTWMAYVCFTMPP-LALPHHSUSA-N 2 1 320.462 2.707 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420381266 296183469 /nfs/dbraw/zinc/18/34/69/296183469.db2.gz ZDTWMAYVCFTMPP-JMSVASOKSA-N 2 1 320.462 2.707 20 0 DFADMP C[NH2+]CCCN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420382798 296183902 /nfs/dbraw/zinc/18/39/02/296183902.db2.gz YRHMGLPEKDQJKR-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP Cc1cccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)c1 ZINC000342084527 284322004 /nfs/dbraw/zinc/32/20/04/284322004.db2.gz LRAWSAAGPLAVHA-XHSDSOJGSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1cccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)c1 ZINC000342084527 284322007 /nfs/dbraw/zinc/32/20/07/284322007.db2.gz LRAWSAAGPLAVHA-XHSDSOJGSA-N 2 1 312.417 2.604 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000342089281 284324086 /nfs/dbraw/zinc/32/40/86/284324086.db2.gz SQSPAPULFJLBTK-HZPDHXFCSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000342089281 284324089 /nfs/dbraw/zinc/32/40/89/284324089.db2.gz SQSPAPULFJLBTK-HZPDHXFCSA-N 2 1 304.434 2.729 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342089650 284324098 /nfs/dbraw/zinc/32/40/98/284324098.db2.gz AXMAPYFQBPILFZ-NOXHYTERSA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342089650 284324101 /nfs/dbraw/zinc/32/41/01/284324101.db2.gz AXMAPYFQBPILFZ-NOXHYTERSA-N 2 1 321.852 2.726 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000342090686 284324499 /nfs/dbraw/zinc/32/44/99/284324499.db2.gz BUADFOVTHXTTRS-DOPJRALCSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000342090686 284324504 /nfs/dbraw/zinc/32/45/04/284324504.db2.gz BUADFOVTHXTTRS-DOPJRALCSA-N 2 1 314.408 2.571 20 0 DFADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420388713 296185049 /nfs/dbraw/zinc/18/50/49/296185049.db2.gz MHXOYKQLIKYVBG-UHFFFAOYSA-N 2 1 311.429 2.980 20 0 DFADMP c1cc(CC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390911 296184957 /nfs/dbraw/zinc/18/49/57/296184957.db2.gz HYQIYNQMLALTQN-ZWKOTPCHSA-N 2 1 300.446 2.628 20 0 DFADMP C[NH2+]CCC[N@H+](C)Cc1ccc(C(=O)Nc2ccccc2)cc1 ZINC000420388713 296185048 /nfs/dbraw/zinc/18/50/48/296185048.db2.gz MHXOYKQLIKYVBG-UHFFFAOYSA-N 2 1 311.429 2.980 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420395612 296185670 /nfs/dbraw/zinc/18/56/70/296185670.db2.gz DODIFRURUGGBAR-ZIAGYGMSSA-N 2 1 321.490 2.654 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420400322 296186042 /nfs/dbraw/zinc/18/60/42/296186042.db2.gz ORZOQXUJMYZBPQ-VQIMIIECSA-N 2 1 318.461 2.928 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420400315 296186260 /nfs/dbraw/zinc/18/62/60/296186260.db2.gz ORZOQXUJMYZBPQ-APWZRJJASA-N 2 1 318.461 2.928 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420412589 296187583 /nfs/dbraw/zinc/18/75/83/296187583.db2.gz ZJORCTYQGCKZOO-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C[NH3+] ZINC000420418615 296188307 /nfs/dbraw/zinc/18/83/07/296188307.db2.gz XBBIREQYWRESFE-JSGCOSHPSA-N 2 1 303.381 2.897 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C[NH3+] ZINC000420418615 296188308 /nfs/dbraw/zinc/18/83/08/296188308.db2.gz XBBIREQYWRESFE-JSGCOSHPSA-N 2 1 303.381 2.897 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)C1 ZINC000282763384 217233330 /nfs/dbraw/zinc/23/33/30/217233330.db2.gz OKCPPZHNPGGQHX-MSOLQXFVSA-N 2 1 300.446 2.676 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282863681 217285623 /nfs/dbraw/zinc/28/56/23/217285623.db2.gz UZDOYHLWPZJNHV-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282863681 217285627 /nfs/dbraw/zinc/28/56/27/217285627.db2.gz UZDOYHLWPZJNHV-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282863681 217285629 /nfs/dbraw/zinc/28/56/29/217285629.db2.gz UZDOYHLWPZJNHV-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282863681 217285632 /nfs/dbraw/zinc/28/56/32/217285632.db2.gz UZDOYHLWPZJNHV-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP C[C@H](C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000618660377 399200919 /nfs/dbraw/zinc/20/09/19/399200919.db2.gz JMZMHYQAMXCHFN-YYIAUSFCSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000618660377 399200921 /nfs/dbraw/zinc/20/09/21/399200921.db2.gz JMZMHYQAMXCHFN-YYIAUSFCSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000618660377 399200926 /nfs/dbraw/zinc/20/09/26/399200926.db2.gz JMZMHYQAMXCHFN-YYIAUSFCSA-N 2 1 321.509 2.771 20 0 DFADMP Cc1cc(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc(C)n1 ZINC000420781013 296201442 /nfs/dbraw/zinc/20/14/42/296201442.db2.gz AGHLSBSVYBNKEV-IYBDPMFKSA-N 2 1 318.465 2.761 20 0 DFADMP c1cc(C[N@@H+]2CCCC3(CC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420924167 296212731 /nfs/dbraw/zinc/21/27/31/296212731.db2.gz SFISAFPEUHDCMM-UHFFFAOYSA-N 2 1 300.446 2.895 20 0 DFADMP c1cc(C[N@H+]2CCCC3(CC3)C2)ccc1C[NH+]1CCOCC1 ZINC000420924167 296212732 /nfs/dbraw/zinc/21/27/32/296212732.db2.gz SFISAFPEUHDCMM-UHFFFAOYSA-N 2 1 300.446 2.895 20 0 DFADMP CC(C)[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682039601 545781535 /nfs/dbraw/zinc/78/15/35/545781535.db2.gz HZTHHMRMRAGYBK-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682039601 545781538 /nfs/dbraw/zinc/78/15/38/545781538.db2.gz HZTHHMRMRAGYBK-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000682039601 545781540 /nfs/dbraw/zinc/78/15/40/545781540.db2.gz HZTHHMRMRAGYBK-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000682039601 545781544 /nfs/dbraw/zinc/78/15/44/545781544.db2.gz HZTHHMRMRAGYBK-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CCC[C@]1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOC1 ZINC000420966644 296218754 /nfs/dbraw/zinc/21/87/54/296218754.db2.gz RBYLFUVGESVOCI-IBGZPJMESA-N 2 1 318.461 2.568 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(F)c3)CC2)CC1 ZINC000421013380 296225167 /nfs/dbraw/zinc/22/51/67/296225167.db2.gz QWKQFYHVKGBTCT-UHFFFAOYSA-N 2 1 319.468 2.818 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421027270 296227984 /nfs/dbraw/zinc/22/79/84/296227984.db2.gz SWHXVEYWIAKRQE-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C1 ZINC000421027270 296227985 /nfs/dbraw/zinc/22/79/85/296227985.db2.gz SWHXVEYWIAKRQE-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP CC(C)C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000608746456 399292451 /nfs/dbraw/zinc/29/24/51/399292451.db2.gz XCKZJSXRCWBLCW-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000608746456 399292453 /nfs/dbraw/zinc/29/24/53/399292453.db2.gz XCKZJSXRCWBLCW-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000608746456 399292454 /nfs/dbraw/zinc/29/24/54/399292454.db2.gz XCKZJSXRCWBLCW-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000608746456 399292456 /nfs/dbraw/zinc/29/24/56/399292456.db2.gz XCKZJSXRCWBLCW-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@@H](C)Oc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000623086368 399324111 /nfs/dbraw/zinc/32/41/11/399324111.db2.gz MGYXWKURPRWIDV-CQSZACIVSA-N 2 1 317.433 2.938 20 0 DFADMP COc1c(Br)cccc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086489 399324149 /nfs/dbraw/zinc/32/41/49/399324149.db2.gz UUAWBARQVCEGFP-UHFFFAOYSA-N 2 1 324.222 2.524 20 0 DFADMP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000284411283 218016976 /nfs/dbraw/zinc/01/69/76/218016976.db2.gz QHMWUZNDQHBKDK-QZTJIDSGSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2n[nH]cc2C1 ZINC000623242310 399345394 /nfs/dbraw/zinc/34/53/94/399345394.db2.gz WOPHDOGKDPTQSS-WBVHZDCISA-N 2 1 310.445 2.678 20 0 DFADMP C[C@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2n[nH]cc2C1 ZINC000623242308 399345415 /nfs/dbraw/zinc/34/54/15/399345415.db2.gz WOPHDOGKDPTQSS-NVXWUHKLSA-N 2 1 310.445 2.678 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000105443051 194104459 /nfs/dbraw/zinc/10/44/59/194104459.db2.gz HQKKOAJRBSZPGW-GFCCVEGCSA-N 2 1 317.824 2.919 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)CC1(C)C ZINC000623344513 399367169 /nfs/dbraw/zinc/36/71/69/399367169.db2.gz PUFCLRFIEAOPLE-GOSISDBHSA-N 2 1 312.461 2.894 20 0 DFADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nnc2n1CCCCC2 ZINC000623352102 399369229 /nfs/dbraw/zinc/36/92/29/399369229.db2.gz OXNVZAGHVADLFU-ZIAGYGMSSA-N 2 1 305.470 2.528 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1(C)C ZINC000623357578 399371188 /nfs/dbraw/zinc/37/11/88/399371188.db2.gz WPLWXWFJKQFKQH-MRXNPFEDSA-N 2 1 315.461 2.776 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1(C)C ZINC000623357578 399371191 /nfs/dbraw/zinc/37/11/91/399371191.db2.gz WPLWXWFJKQFKQH-MRXNPFEDSA-N 2 1 315.461 2.776 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000105876726 194154215 /nfs/dbraw/zinc/15/42/15/194154215.db2.gz AGBMRYKRQJEKCZ-UHFFFAOYSA-N 2 1 319.371 2.644 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897314 194162124 /nfs/dbraw/zinc/16/21/24/194162124.db2.gz OQFUHZPXOAKBCO-JYJNAYRXSA-N 2 1 320.481 2.776 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897314 194162127 /nfs/dbraw/zinc/16/21/27/194162127.db2.gz OQFUHZPXOAKBCO-JYJNAYRXSA-N 2 1 320.481 2.776 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC1CC1 ZINC000623360977 399371900 /nfs/dbraw/zinc/37/19/00/399371900.db2.gz ICQIJUGQHVBSLR-HOTGVXAUSA-N 2 1 316.445 2.953 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC1CC1 ZINC000623360977 399371903 /nfs/dbraw/zinc/37/19/03/399371903.db2.gz ICQIJUGQHVBSLR-HOTGVXAUSA-N 2 1 316.445 2.953 20 0 DFADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000105915550 194168909 /nfs/dbraw/zinc/16/89/09/194168909.db2.gz JEEIAUDDWGZEBQ-MRXNPFEDSA-N 2 1 320.477 2.610 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623361856 399373016 /nfs/dbraw/zinc/37/30/16/399373016.db2.gz TVZOYHGUKVVGNR-MRXNPFEDSA-N 2 1 306.450 2.674 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623361856 399373019 /nfs/dbraw/zinc/37/30/19/399373019.db2.gz TVZOYHGUKVVGNR-MRXNPFEDSA-N 2 1 306.450 2.674 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000106126846 194187600 /nfs/dbraw/zinc/18/76/00/194187600.db2.gz WEVIMGZBGQHQDF-CQSZACIVSA-N 2 1 310.869 2.865 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623400620 399380541 /nfs/dbraw/zinc/38/05/41/399380541.db2.gz ABUOTHIYEFNOMW-QGZVFWFLSA-N 2 1 303.450 2.650 20 0 DFADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000106483736 194218703 /nfs/dbraw/zinc/21/87/03/194218703.db2.gz HFIGQEJWDKTWRB-INIZCTEOSA-N 2 1 313.445 2.672 20 0 DFADMP Cc1cccn2cc(CC[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)nc12 ZINC000623438319 399389443 /nfs/dbraw/zinc/38/94/43/399389443.db2.gz VOQIOFQJRPPUSQ-HNNXBMFYSA-N 2 1 300.450 2.648 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000109746555 194281470 /nfs/dbraw/zinc/28/14/70/194281470.db2.gz FSWNRLZHKGWATE-UONOGXRCSA-N 2 1 308.495 2.706 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000109746555 194281472 /nfs/dbraw/zinc/28/14/72/194281472.db2.gz FSWNRLZHKGWATE-UONOGXRCSA-N 2 1 308.495 2.706 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000109786640 194284333 /nfs/dbraw/zinc/28/43/33/194284333.db2.gz IUSCENCXHAHKIM-UHFFFAOYSA-N 2 1 303.450 2.821 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000268813898 206979381 /nfs/dbraw/zinc/97/93/81/206979381.db2.gz LNQUYTSEPUQMLW-HZPDHXFCSA-N 2 1 317.477 2.675 20 0 DFADMP FC(F)(F)COCCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000110034557 194305576 /nfs/dbraw/zinc/30/55/76/194305576.db2.gz PQBLWLRIVQRWFD-UHFFFAOYSA-N 2 1 308.388 2.952 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000268837889 207001939 /nfs/dbraw/zinc/00/19/39/207001939.db2.gz HGQAVRLIJKHHPD-CQSZACIVSA-N 2 1 310.405 2.513 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1(C)C ZINC000623454340 399394259 /nfs/dbraw/zinc/39/42/59/399394259.db2.gz AIUDNQWUTYGDJW-AWEZNQCLSA-N 2 1 302.418 2.867 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1(C)C ZINC000623454340 399394264 /nfs/dbraw/zinc/39/42/64/399394264.db2.gz AIUDNQWUTYGDJW-AWEZNQCLSA-N 2 1 302.418 2.867 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)c(Cl)c1 ZINC000268837712 207004178 /nfs/dbraw/zinc/00/41/78/207004178.db2.gz MJPBCCXLGMMOOV-GFCCVEGCSA-N 2 1 314.832 2.977 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000623473714 399397610 /nfs/dbraw/zinc/39/76/10/399397610.db2.gz FJKFAHBYOYKFNY-HOCLYGCPSA-N 2 1 313.449 2.791 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000623467159 399396394 /nfs/dbraw/zinc/39/63/94/399396394.db2.gz ZMJOOXNXTMQVEI-CABCVRRESA-N 2 1 312.523 2.894 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268869403 207037882 /nfs/dbraw/zinc/03/78/82/207037882.db2.gz IJVIKDQHXIIKFG-AEFFLSMTSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268869403 207037885 /nfs/dbraw/zinc/03/78/85/207037885.db2.gz IJVIKDQHXIIKFG-AEFFLSMTSA-N 2 1 302.462 2.934 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000268869837 207039521 /nfs/dbraw/zinc/03/95/21/207039521.db2.gz OOLUXEFVXZEJCT-VQIMIIECSA-N 2 1 312.461 2.692 20 0 DFADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397499 /nfs/dbraw/zinc/39/74/99/399397499.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397502 /nfs/dbraw/zinc/39/75/02/399397502.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397503 /nfs/dbraw/zinc/39/75/03/399397503.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 2 1 301.478 2.894 20 0 DFADMP CN1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397505 /nfs/dbraw/zinc/39/75/05/399397505.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 2 1 301.478 2.894 20 0 DFADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475523 399397507 /nfs/dbraw/zinc/39/75/07/399397507.db2.gz PZAZQMUGPCOEAE-BZSNNMDCSA-N 2 1 301.478 2.894 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268874941 207044344 /nfs/dbraw/zinc/04/43/44/207044344.db2.gz KDPVFZKHPWVVOC-SFHVURJKSA-N 2 1 322.468 2.829 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000422625042 296316349 /nfs/dbraw/zinc/31/63/49/296316349.db2.gz AKGJGJGMTNNTLF-MCIONIFRSA-N 2 1 323.868 2.974 20 0 DFADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895308 207064823 /nfs/dbraw/zinc/06/48/23/207064823.db2.gz ZUVPCYTYIWSCPY-YLJYHZDGSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895308 207064825 /nfs/dbraw/zinc/06/48/25/207064825.db2.gz ZUVPCYTYIWSCPY-YLJYHZDGSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895308 207064828 /nfs/dbraw/zinc/06/48/28/207064828.db2.gz ZUVPCYTYIWSCPY-YLJYHZDGSA-N 2 1 315.505 2.971 20 0 DFADMP CCCOc1ccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422633371 296317398 /nfs/dbraw/zinc/31/73/98/296317398.db2.gz HZZIKINTQYDBMX-UHFFFAOYSA-N 2 1 304.434 2.682 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000422698556 296318220 /nfs/dbraw/zinc/31/82/20/296318220.db2.gz ZXDYMSZFLHWJNH-RYRKJORJSA-N 2 1 315.461 2.692 20 0 DFADMP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000268925739 207091797 /nfs/dbraw/zinc/09/17/97/207091797.db2.gz PTWLLOLPVNDUOR-CRAIPNDOSA-N 2 1 318.461 2.509 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC000623513069 399405747 /nfs/dbraw/zinc/40/57/47/399405747.db2.gz HGFDBXNTQRNUOZ-IXDOHACOSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]([NH2+]CCc1cc(Br)ccc1F)[C@H]1CCC[NH2+]1 ZINC000422709076 296319867 /nfs/dbraw/zinc/31/98/67/296319867.db2.gz YPQIHUKVGZMCPB-QMTHXVAHSA-N 2 1 315.230 2.861 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714457 296320732 /nfs/dbraw/zinc/32/07/32/296320732.db2.gz RARAVYOFGVOOBV-WJFTUGDTSA-N 2 1 319.468 2.939 20 0 DFADMP C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422718531 296320907 /nfs/dbraw/zinc/32/09/07/296320907.db2.gz PWAXDVLAWVLGKX-HOJAQTOUSA-N 2 1 315.505 2.671 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC1(C)C ZINC000623541512 399412459 /nfs/dbraw/zinc/41/24/59/399412459.db2.gz NJIGCWMONPGGCM-HLLBOEOZSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)N1CCc2sccc2C1 ZINC000422721990 296321909 /nfs/dbraw/zinc/32/19/09/296321909.db2.gz WNSRRGIHEMEIBK-CHWSQXEVSA-N 2 1 316.474 2.653 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422724832 296322187 /nfs/dbraw/zinc/32/21/87/296322187.db2.gz WTEBZWIQNODANK-ZDUSSCGKSA-N 2 1 315.417 2.795 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NCc1cccs1 ZINC000623556972 399415171 /nfs/dbraw/zinc/41/51/71/399415171.db2.gz GMZCRDJNWKWNHY-HIFRSBDPSA-N 2 1 323.506 2.605 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NCc1cccs1 ZINC000623556972 399415172 /nfs/dbraw/zinc/41/51/72/399415172.db2.gz GMZCRDJNWKWNHY-HIFRSBDPSA-N 2 1 323.506 2.605 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422726814 296322415 /nfs/dbraw/zinc/32/24/15/296322415.db2.gz GACFKIJJESCHMC-VQIMIIECSA-N 2 1 301.478 2.629 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000268984154 207142765 /nfs/dbraw/zinc/14/27/65/207142765.db2.gz LCAUULHMPKMAFW-FHWLQOOXSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000268984154 207142768 /nfs/dbraw/zinc/14/27/68/207142768.db2.gz LCAUULHMPKMAFW-FHWLQOOXSA-N 2 1 302.462 2.648 20 0 DFADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422732216 296323011 /nfs/dbraw/zinc/32/30/11/296323011.db2.gz NMSLOZFLTHCMLK-YOEHRIQHSA-N 2 1 314.429 2.752 20 0 DFADMP C[C@@H](CC[NH+](C)C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268995771 207154327 /nfs/dbraw/zinc/15/43/27/207154327.db2.gz KNJPWHQLMCOFQJ-HOTGVXAUSA-N 2 1 307.482 2.618 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269015806 207167279 /nfs/dbraw/zinc/16/72/79/207167279.db2.gz OIAPAQMVRBJPIG-UOVPBQLFSA-N 2 1 322.518 2.599 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269015806 207167282 /nfs/dbraw/zinc/16/72/82/207167282.db2.gz OIAPAQMVRBJPIG-UOVPBQLFSA-N 2 1 322.518 2.599 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000623655829 399436845 /nfs/dbraw/zinc/43/68/45/399436845.db2.gz GSVGXOFVSJLFLQ-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000623657219 399436884 /nfs/dbraw/zinc/43/68/84/399436884.db2.gz LNESLFHNWVVXRJ-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000623657308 399436926 /nfs/dbraw/zinc/43/69/26/399436926.db2.gz NJUILHPZIUNSPS-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000623657308 399436928 /nfs/dbraw/zinc/43/69/28/399436928.db2.gz NJUILHPZIUNSPS-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655644 399437164 /nfs/dbraw/zinc/43/71/64/399437164.db2.gz AZOAMXRMCGLOAM-JKSUJKDBSA-N 2 1 303.450 2.725 20 0 DFADMP CCOC(=O)CCC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000611194901 399444350 /nfs/dbraw/zinc/44/43/50/399444350.db2.gz OKAUDXUAAWPHHB-UHFFFAOYSA-N 2 1 307.438 2.637 20 0 DFADMP COC(=O)c1csc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000602440187 399444794 /nfs/dbraw/zinc/44/47/94/399444794.db2.gz OSCYESSPDACKRX-UHFFFAOYSA-N 2 1 322.474 2.843 20 0 DFADMP Cc1scc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000602484234 399459234 /nfs/dbraw/zinc/45/92/34/399459234.db2.gz NDJQMDWUTFRGTB-GOSISDBHSA-N 2 1 321.534 2.965 20 0 DFADMP c1csc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000063133279 184272711 /nfs/dbraw/zinc/27/27/11/184272711.db2.gz GWTLDGPTQHELBR-UHFFFAOYSA-N 2 1 301.459 2.940 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1 ZINC000269164179 207287443 /nfs/dbraw/zinc/28/74/43/207287443.db2.gz BYYYBDMQXQZLLQ-QGZVFWFLSA-N 2 1 317.477 2.600 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000422737263 296323950 /nfs/dbraw/zinc/32/39/50/296323950.db2.gz ZKLJERWRYCLRSO-QRQLOZEOSA-N 2 1 301.478 2.801 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)c2ccccc21 ZINC000422743618 296324916 /nfs/dbraw/zinc/32/49/16/296324916.db2.gz UPDIFHYUQUEPLA-IAGOWNOFSA-N 2 1 313.470 2.841 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)c2ccccc21 ZINC000422743619 296325070 /nfs/dbraw/zinc/32/50/70/296325070.db2.gz UPDIFHYUQUEPLA-IRXDYDNUSA-N 2 1 313.470 2.841 20 0 DFADMP CC[C@H](NC[C@@H](c1ccccc1OC)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422740667 296324557 /nfs/dbraw/zinc/32/45/57/296324557.db2.gz CGJDXTMMVKSYLF-KSZLIROESA-N 2 1 319.493 2.808 20 0 DFADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000422748637 296325815 /nfs/dbraw/zinc/32/58/15/296325815.db2.gz VMAIWVSRSYHCTR-AEFFLSMTSA-N 2 1 317.477 2.564 20 0 DFADMP COc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422764197 296329196 /nfs/dbraw/zinc/32/91/96/296329196.db2.gz UWFDYSJMYDWVRX-VKJFTORMSA-N 2 1 305.466 2.548 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCc3scnc32)CC1 ZINC000623862010 399481913 /nfs/dbraw/zinc/48/19/13/399481913.db2.gz JADLWYOWGUHSJL-OAHLLOKOSA-N 2 1 322.522 2.528 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766034 296329807 /nfs/dbraw/zinc/32/98/07/296329807.db2.gz RIBYBHBAZXTDTL-NJAFHUGGSA-N 2 1 305.441 2.915 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)[C@@H](C)C1 ZINC000623894936 399489375 /nfs/dbraw/zinc/48/93/75/399489375.db2.gz FXLVQHJMAWHBPO-XWTMOSNGSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000422781640 296332097 /nfs/dbraw/zinc/33/20/97/296332097.db2.gz LZGZOOMMWYASEP-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP CC[NH+](CC)Cc1ccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422785232 296332469 /nfs/dbraw/zinc/33/24/69/296332469.db2.gz MZSBDITTYIHGBQ-DFNIBXOVSA-N 2 1 301.478 2.901 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422785789 296332658 /nfs/dbraw/zinc/33/26/58/296332658.db2.gz KAYHZWRLBKNWRZ-CHWSQXEVSA-N 2 1 301.390 2.621 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422790592 296333150 /nfs/dbraw/zinc/33/31/50/296333150.db2.gz PKPXMIBCBYBWRF-CHWSQXEVSA-N 2 1 301.390 2.621 20 0 DFADMP C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422796622 296334488 /nfs/dbraw/zinc/33/44/88/296334488.db2.gz YRZAZRKFYCEOHK-LPHOPBHVSA-N 2 1 301.478 2.760 20 0 DFADMP CCN(CC)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794834 296334082 /nfs/dbraw/zinc/33/40/82/296334082.db2.gz GYVQVPZKBZWIDT-MJGOQNOKSA-N 2 1 319.493 2.810 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000269249290 207384942 /nfs/dbraw/zinc/38/49/42/207384942.db2.gz XIDRIGNKGBXTGQ-MAUKXSAKSA-N 2 1 317.477 2.661 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000269253085 207391670 /nfs/dbraw/zinc/39/16/70/207391670.db2.gz IAZHTVNOFWRFOJ-GOSISDBHSA-N 2 1 319.493 2.908 20 0 DFADMP CC[C@@H](CN[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422805818 296336413 /nfs/dbraw/zinc/33/64/13/296336413.db2.gz JQUSAWRZWHSDMF-MOPGFXCFSA-N 2 1 301.478 2.555 20 0 DFADMP CC[C@@H](CN[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422805818 296336414 /nfs/dbraw/zinc/33/64/14/296336414.db2.gz JQUSAWRZWHSDMF-MOPGFXCFSA-N 2 1 301.478 2.555 20 0 DFADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422809075 296336874 /nfs/dbraw/zinc/33/68/74/296336874.db2.gz RFPPJAVJRQWFCJ-YESZJQIVSA-N 2 1 304.434 2.714 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccccc1F ZINC000422810807 296337341 /nfs/dbraw/zinc/33/73/41/296337341.db2.gz NWGYFZHCSJAJMD-CJNGLKHVSA-N 2 1 304.413 2.756 20 0 DFADMP CC[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422807022 296336702 /nfs/dbraw/zinc/33/67/02/296336702.db2.gz LOXRJYYPRCDPFI-WOJBJXKFSA-N 2 1 315.505 2.945 20 0 DFADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000422810946 296337359 /nfs/dbraw/zinc/33/73/59/296337359.db2.gz VAAXREKSGHJIHR-RBUKOAKNSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000631841944 399506207 /nfs/dbraw/zinc/50/62/07/399506207.db2.gz SEFGZJIGHMAUQA-HHXXYDBFSA-N 2 1 323.440 2.893 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000631841944 399506209 /nfs/dbraw/zinc/50/62/09/399506209.db2.gz SEFGZJIGHMAUQA-HHXXYDBFSA-N 2 1 323.440 2.893 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843501 399506396 /nfs/dbraw/zinc/50/63/96/399506396.db2.gz ORVUALLYXUNBGE-YCPHGPKFSA-N 2 1 311.429 2.693 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843501 399506400 /nfs/dbraw/zinc/50/64/00/399506400.db2.gz ORVUALLYXUNBGE-YCPHGPKFSA-N 2 1 311.429 2.693 20 0 DFADMP C[C@H](NCc1cccc(C[NH+]2CCCCCC2)c1)C1C[NH2+]C1 ZINC000422825104 296340139 /nfs/dbraw/zinc/34/01/39/296340139.db2.gz IXOFWHGXBTXFOI-INIZCTEOSA-N 2 1 301.478 2.760 20 0 DFADMP CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422821494 296339394 /nfs/dbraw/zinc/33/93/94/296339394.db2.gz WORKFCAIMJWTIR-OALUTQOASA-N 2 1 312.461 2.925 20 0 DFADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nncn2C)CC1)CC(C)C ZINC000347011887 285001582 /nfs/dbraw/zinc/00/15/82/285001582.db2.gz MWTUHEYUNLZDFR-MRXNPFEDSA-N 2 1 321.513 2.956 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nncn2C)CC1)CC(C)C ZINC000347011887 285001585 /nfs/dbraw/zinc/00/15/85/285001585.db2.gz MWTUHEYUNLZDFR-MRXNPFEDSA-N 2 1 321.513 2.956 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000347012201 285002182 /nfs/dbraw/zinc/00/21/82/285002182.db2.gz VDCQQWIBIPPGKP-IYBDPMFKSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422828395 296340393 /nfs/dbraw/zinc/34/03/93/296340393.db2.gz APYVSWHYAPMFDO-UKBAYJJMSA-N 2 1 301.478 2.627 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422837943 296342360 /nfs/dbraw/zinc/34/23/60/296342360.db2.gz VVBQRMQBQVOBPN-NJAFHUGGSA-N 2 1 310.445 2.880 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422837944 296342448 /nfs/dbraw/zinc/34/24/48/296342448.db2.gz VVBQRMQBQVOBPN-RYQLBKOJSA-N 2 1 310.445 2.880 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422833772 296341835 /nfs/dbraw/zinc/34/18/35/296341835.db2.gz WNZQQVZVJJYQJG-QYZOEREBSA-N 2 1 301.478 2.849 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422839117 296342522 /nfs/dbraw/zinc/34/25/22/296342522.db2.gz ZFZNCTQXULWNRT-ZWKOTPCHSA-N 2 1 312.461 2.733 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422841318 296342633 /nfs/dbraw/zinc/34/26/33/296342633.db2.gz VSEHOTSKVPOMNP-KCITZHQASA-N 2 1 301.478 2.770 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347064751 285009446 /nfs/dbraw/zinc/00/94/46/285009446.db2.gz DCQKQWYKYHHMRW-LBPRGKRZSA-N 2 1 320.330 2.938 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347064751 285009448 /nfs/dbraw/zinc/00/94/48/285009448.db2.gz DCQKQWYKYHHMRW-LBPRGKRZSA-N 2 1 320.330 2.938 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347019109 285006508 /nfs/dbraw/zinc/00/65/08/285006508.db2.gz LSLLOGOGDONMIK-MRXNPFEDSA-N 2 1 312.417 2.700 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347019109 285006513 /nfs/dbraw/zinc/00/65/13/285006513.db2.gz LSLLOGOGDONMIK-MRXNPFEDSA-N 2 1 312.417 2.700 20 0 DFADMP C1CCC([N@H+]2CC[C@@H](N[C@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)C1 ZINC000422855924 296345596 /nfs/dbraw/zinc/34/55/96/296345596.db2.gz DHPAROQDZIMKEZ-LULLPPNCSA-N 2 1 305.510 2.904 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000422863411 296346732 /nfs/dbraw/zinc/34/67/32/296346732.db2.gz OYWPOHRBZRQUFD-ILXRZTDVSA-N 2 1 304.482 2.762 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000422863411 296346734 /nfs/dbraw/zinc/34/67/34/296346734.db2.gz OYWPOHRBZRQUFD-ILXRZTDVSA-N 2 1 304.482 2.762 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c(N2CCOCC2)c1 ZINC000422867731 296347387 /nfs/dbraw/zinc/34/73/87/296347387.db2.gz SSEHSYCCFSRASU-MSOLQXFVSA-N 2 1 317.477 2.581 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000422879082 296349387 /nfs/dbraw/zinc/34/93/87/296349387.db2.gz UKSLUBAWWFUYLX-CWRNSKLLSA-N 2 1 322.884 2.824 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422883643 296350247 /nfs/dbraw/zinc/35/02/47/296350247.db2.gz VIHPRDIBUKXLCB-WMZOPIPTSA-N 2 1 302.462 2.631 20 0 DFADMP C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422894136 296351903 /nfs/dbraw/zinc/35/19/03/296351903.db2.gz SICROFRVLWWTSV-RISCZKNCSA-N 2 1 302.340 2.858 20 0 DFADMP CC[C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000422896446 296352184 /nfs/dbraw/zinc/35/21/84/296352184.db2.gz IHHCMPWKGNDBHF-ZWKOTPCHSA-N 2 1 319.493 2.729 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422897730 296352534 /nfs/dbraw/zinc/35/25/34/296352534.db2.gz KHGZVVDOSZTQCD-FXAWDEMLSA-N 2 1 315.505 2.937 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422907232 296354380 /nfs/dbraw/zinc/35/43/80/296354380.db2.gz LDWZEEDNRYDQNW-KDEOWCQBSA-N 2 1 301.478 2.897 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422907232 296354382 /nfs/dbraw/zinc/35/43/82/296354382.db2.gz LDWZEEDNRYDQNW-KDEOWCQBSA-N 3 1 301.478 2.897 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422907232 296354384 /nfs/dbraw/zinc/35/43/84/296354384.db2.gz LDWZEEDNRYDQNW-KDEOWCQBSA-N 3 1 301.478 2.897 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)[C@H](C)C1 ZINC000119950080 195068565 /nfs/dbraw/zinc/06/85/65/195068565.db2.gz HDJSGZZQANSSOY-FMKPAKJESA-N 2 1 322.884 2.634 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@H](C)[NH3+])CC2)cs1 ZINC000422913837 296355299 /nfs/dbraw/zinc/35/52/99/296355299.db2.gz QWFYKMOLECUIHZ-KBPBESRZSA-N 3 1 324.538 2.633 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCOC3CCOCC3)CC[NH2+]2)cc1 ZINC000422914971 296355416 /nfs/dbraw/zinc/35/54/16/296355416.db2.gz ACISZGXHAXYDSN-MJGOQNOKSA-N 2 1 318.461 2.655 20 0 DFADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000422934688 296357431 /nfs/dbraw/zinc/35/74/31/296357431.db2.gz GFWKUCWOEMNPPJ-CXAGYDPISA-N 2 1 302.393 2.882 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886437 399518156 /nfs/dbraw/zinc/51/81/56/399518156.db2.gz HEPAVDWCOUYYED-HOTGVXAUSA-N 2 1 304.434 2.538 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631886437 399518159 /nfs/dbraw/zinc/51/81/59/399518159.db2.gz HEPAVDWCOUYYED-HOTGVXAUSA-N 2 1 304.434 2.538 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c(C)n2n1 ZINC000120121865 195100324 /nfs/dbraw/zinc/10/03/24/195100324.db2.gz LJPUQLXOAPPWMJ-ZDUSSCGKSA-N 2 1 303.454 2.585 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1 ZINC000631886257 399518790 /nfs/dbraw/zinc/51/87/90/399518790.db2.gz GLADJTKLXLETNF-CJNGLKHVSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1 ZINC000631886257 399518794 /nfs/dbraw/zinc/51/87/94/399518794.db2.gz GLADJTKLXLETNF-CJNGLKHVSA-N 2 1 321.852 2.743 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422937662 296357870 /nfs/dbraw/zinc/35/78/70/296357870.db2.gz JQDSGKOALUKEBI-QYZOEREBSA-N 3 1 301.478 2.539 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422937662 296357871 /nfs/dbraw/zinc/35/78/71/296357871.db2.gz JQDSGKOALUKEBI-QYZOEREBSA-N 3 1 301.478 2.539 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000422950808 296359977 /nfs/dbraw/zinc/35/99/77/296359977.db2.gz ZBACGYAKCMRJPY-QWRGUYRKSA-N 2 1 313.239 2.545 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000611782767 399524898 /nfs/dbraw/zinc/52/48/98/399524898.db2.gz AVMBUCJYVZCYLS-HZPDHXFCSA-N 2 1 307.438 2.806 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000611782767 399524906 /nfs/dbraw/zinc/52/49/06/399524906.db2.gz AVMBUCJYVZCYLS-HZPDHXFCSA-N 2 1 307.438 2.806 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422961116 296361420 /nfs/dbraw/zinc/36/14/20/296361420.db2.gz ANNSEMKOGQSKAI-WMLDXEAASA-N 2 1 303.450 2.881 20 0 DFADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422957751 296361152 /nfs/dbraw/zinc/36/11/52/296361152.db2.gz NVOAQOAJIPXKNM-ROUUACIJSA-N 2 1 317.477 2.718 20 0 DFADMP COc1ccc([C@H](NCCC[N@@H+](C)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422968545 296362756 /nfs/dbraw/zinc/36/27/56/296362756.db2.gz WXNYVVQBOSNZKW-OALUTQOASA-N 2 1 319.493 2.808 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000422969003 296362624 /nfs/dbraw/zinc/36/26/24/296362624.db2.gz YKLYIYCBPLHJAZ-KSSFIOAISA-N 2 1 304.482 2.620 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422996010 296365157 /nfs/dbraw/zinc/36/51/57/296365157.db2.gz RZMMYVUFMGLXCC-QXGSTGNESA-N 2 1 318.461 2.893 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000347606108 285089273 /nfs/dbraw/zinc/08/92/73/285089273.db2.gz BPDNRNXIFHPWOX-GJZGRUSLSA-N 2 1 311.857 2.576 20 0 DFADMP COc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000423007743 296366456 /nfs/dbraw/zinc/36/64/56/296366456.db2.gz RKSLUYMXGYUCFG-MSOLQXFVSA-N 2 1 311.429 2.716 20 0 DFADMP COc1cccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000423007746 296366559 /nfs/dbraw/zinc/36/65/59/296366559.db2.gz RKSLUYMXGYUCFG-ZWKOTPCHSA-N 2 1 311.429 2.716 20 0 DFADMP CC(C)CSCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423016870 296368220 /nfs/dbraw/zinc/36/82/20/296368220.db2.gz UVLMLVIBHHDACB-BZUAXINKSA-N 2 1 300.512 2.512 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]1 ZINC000423018427 296368468 /nfs/dbraw/zinc/36/84/68/296368468.db2.gz YWZIOCGQWNBVLG-KBMXLJTQSA-N 2 1 314.433 2.960 20 0 DFADMP C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCC[NH2+]1 ZINC000423031453 296369845 /nfs/dbraw/zinc/36/98/45/296369845.db2.gz KVEMLSGQMZDDPJ-SWLSCSKDSA-N 2 1 318.396 2.538 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000423045695 296371570 /nfs/dbraw/zinc/37/15/70/296371570.db2.gz DGENKWGFTGRCDY-BZNIZROVSA-N 2 1 301.365 2.772 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423050109 296371953 /nfs/dbraw/zinc/37/19/53/296371953.db2.gz KTWACAHUQMXSDD-DGCLKSJQSA-N 2 1 306.841 2.704 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063739 296373669 /nfs/dbraw/zinc/37/36/69/296373669.db2.gz POBCBVKIFNWIOB-RTBURBONSA-N 2 1 301.478 2.629 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063739 296373671 /nfs/dbraw/zinc/37/36/71/296373671.db2.gz POBCBVKIFNWIOB-RTBURBONSA-N 2 1 301.478 2.629 20 0 DFADMP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423068306 296374531 /nfs/dbraw/zinc/37/45/31/296374531.db2.gz JPDHMBNQIIPFGT-JTQLQIEISA-N 2 1 313.239 2.860 20 0 DFADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423063948 296373776 /nfs/dbraw/zinc/37/37/76/296373776.db2.gz QDXQPCBTDCDYFU-CWRNSKLLSA-N 2 1 312.816 2.726 20 0 DFADMP c1cnn(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159012725 197319354 /nfs/dbraw/zinc/31/93/54/197319354.db2.gz KEKAFVUQLOYRCX-PMACEKPBSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159012725 197319356 /nfs/dbraw/zinc/31/93/56/197319356.db2.gz KEKAFVUQLOYRCX-PMACEKPBSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159012725 197319359 /nfs/dbraw/zinc/31/93/59/197319359.db2.gz KEKAFVUQLOYRCX-PMACEKPBSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000159012725 197319361 /nfs/dbraw/zinc/31/93/61/197319361.db2.gz KEKAFVUQLOYRCX-PMACEKPBSA-N 2 1 324.472 2.870 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423076622 296375654 /nfs/dbraw/zinc/37/56/54/296375654.db2.gz ZMSAYJIYDVOIGX-XMTFNYHQSA-N 2 1 316.445 2.565 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423081983 296375828 /nfs/dbraw/zinc/37/58/28/296375828.db2.gz CGCJEKFFITZURJ-GUDVDZBRSA-N 3 1 301.478 2.758 20 0 DFADMP CC[C@H]([NH2+]C[C@@](C)(Cc1ccccc1)[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423079882 296375835 /nfs/dbraw/zinc/37/58/35/296375835.db2.gz RJMUJMRYHDOZOH-XGXHKWSGSA-N 2 1 304.478 2.736 20 0 DFADMP CCN(CC)[C@H](C)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423086678 296376818 /nfs/dbraw/zinc/37/68/18/296376818.db2.gz NRHKPEJDSIETJK-SZVBFZGTSA-N 2 1 317.477 2.562 20 0 DFADMP CC[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090706 296376966 /nfs/dbraw/zinc/37/69/66/296376966.db2.gz YITDNFZIZDXHKT-FHWLQOOXSA-N 2 1 301.478 2.629 20 0 DFADMP CC[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090708 296377118 /nfs/dbraw/zinc/37/71/18/296377118.db2.gz YITDNFZIZDXHKT-QRVBRYPASA-N 2 1 301.478 2.629 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCCC[N@H+](C)C3)c(C)n2n1 ZINC000624122005 399560358 /nfs/dbraw/zinc/56/03/58/399560358.db2.gz HQOFCGVSCHPIMC-GOEBONIOSA-N 2 1 315.465 2.729 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCCC[N@@H+](C)C3)c(C)n2n1 ZINC000624122005 399560363 /nfs/dbraw/zinc/56/03/63/399560363.db2.gz HQOFCGVSCHPIMC-GOEBONIOSA-N 2 1 315.465 2.729 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121595 399560012 /nfs/dbraw/zinc/56/00/12/399560012.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+]1CCCC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000624121595 399560017 /nfs/dbraw/zinc/56/00/17/399560017.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCCC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000624121595 399560023 /nfs/dbraw/zinc/56/00/23/399560023.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+]1CCCC[C@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000624121595 399560026 /nfs/dbraw/zinc/56/00/26/399560026.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+]1CCCC[C@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000624121595 399560031 /nfs/dbraw/zinc/56/00/31/399560031.db2.gz YIKCDMBAHCWSBK-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP CCOc1ccc([C@@H](COC)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423107147 296379030 /nfs/dbraw/zinc/37/90/30/296379030.db2.gz PKGVRWQICWDHNW-IXEWLPCDSA-N 2 1 304.434 2.645 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)C[C@H](C)[NH3+] ZINC000423110224 296379525 /nfs/dbraw/zinc/37/95/25/296379525.db2.gz OXNIRGICLDVZRU-UWVGGRQHSA-N 2 1 306.328 2.809 20 0 DFADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423112502 296379541 /nfs/dbraw/zinc/37/95/41/296379541.db2.gz XKCJCFNBWXCRPQ-HWRPDCHHSA-N 2 1 314.473 2.853 20 0 DFADMP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)ccc2[nH]1 ZINC000423110575 296379555 /nfs/dbraw/zinc/37/95/55/296379555.db2.gz PEKLWOFXVRZRCP-QXAKKESOSA-N 2 1 313.445 2.723 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121056 399561348 /nfs/dbraw/zinc/56/13/48/399561348.db2.gz MTGIQYVHBLWCGH-HUUCEWRRSA-N 2 1 315.461 2.954 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]1C[NH3+] ZINC000423115917 296380333 /nfs/dbraw/zinc/38/03/33/296380333.db2.gz ZAAPNJXSQUJTEJ-CMPLNLGQSA-N 2 1 318.339 2.811 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2ccccc21 ZINC000624124095 399562129 /nfs/dbraw/zinc/56/21/29/399562129.db2.gz XEFPGQBHCFXCRZ-FUHWJXTLSA-N 2 1 315.461 2.806 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]1C[NH3+] ZINC000423115920 296380385 /nfs/dbraw/zinc/38/03/85/296380385.db2.gz ZAAPNJXSQUJTEJ-ZYHUDNBSSA-N 2 1 318.339 2.811 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000624123413 399562868 /nfs/dbraw/zinc/56/28/68/399562868.db2.gz LNVFLHMMKDXCKJ-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)c1c[nH+]ccc1N ZINC000423122940 296381209 /nfs/dbraw/zinc/38/12/09/296381209.db2.gz KHTSXCMTWWVIST-RYUDHWBXSA-N 2 1 305.809 2.574 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423133772 296382554 /nfs/dbraw/zinc/38/25/54/296382554.db2.gz CWFYCZQFSRZXPC-MISYRCLQSA-N 2 1 315.505 2.876 20 0 DFADMP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423138593 296383309 /nfs/dbraw/zinc/38/33/09/296383309.db2.gz YBQCERWYVUKDMS-YTQUADARSA-N 2 1 318.436 2.950 20 0 DFADMP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423150471 296385553 /nfs/dbraw/zinc/38/55/53/296385553.db2.gz ZBTSSUNYLCDMAV-KBUPBQIOSA-N 2 1 302.409 2.559 20 0 DFADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423169395 296387662 /nfs/dbraw/zinc/38/76/62/296387662.db2.gz JOPNPBDFDUTLTL-NXHRZFHOSA-N 2 1 317.477 2.626 20 0 DFADMP FC(F)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423169303 296387822 /nfs/dbraw/zinc/38/78/22/296387822.db2.gz IYDJULCUVKMWTL-MMCPYJTDSA-N 2 1 302.409 2.557 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1NC(C)=O ZINC000423179339 296389023 /nfs/dbraw/zinc/38/90/23/296389023.db2.gz MAWWRDRRFXYECR-CYBMUJFWSA-N 2 1 319.449 2.966 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423181751 296389167 /nfs/dbraw/zinc/38/91/67/296389167.db2.gz PKXJPMMNFHTVMV-AEFFLSMTSA-N 2 1 316.493 2.543 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000617011489 399572352 /nfs/dbraw/zinc/57/23/52/399572352.db2.gz GDZFNAVRBMOYQZ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617011489 399572356 /nfs/dbraw/zinc/57/23/56/399572356.db2.gz GDZFNAVRBMOYQZ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617011489 399572361 /nfs/dbraw/zinc/57/23/61/399572361.db2.gz GDZFNAVRBMOYQZ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423190257 296390494 /nfs/dbraw/zinc/39/04/94/296390494.db2.gz QTIDKWBVIXFVEA-LJQANCHMSA-N 2 1 311.429 2.847 20 0 DFADMP COc1cccc(N2CC[C@@H](C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000157475289 197189860 /nfs/dbraw/zinc/18/98/60/197189860.db2.gz QLHMAVREELRQGM-ULQDDVLXSA-N 2 1 317.477 2.594 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCO2 ZINC000423215811 296393450 /nfs/dbraw/zinc/39/34/50/296393450.db2.gz OXNHQNFCCYNDJJ-DVJFUJMWSA-N 2 1 302.418 2.782 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCCO2 ZINC000423215810 296393453 /nfs/dbraw/zinc/39/34/53/296393453.db2.gz OXNHQNFCCYNDJJ-CKQIIDDLSA-N 2 1 302.418 2.782 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620770543 399588626 /nfs/dbraw/zinc/58/86/26/399588626.db2.gz AWTCKWNVNDBQQF-RDJZCZTQSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000423235123 296395232 /nfs/dbraw/zinc/39/52/32/296395232.db2.gz GJLJCEYOUOJUAQ-LSTHTHJFSA-N 2 1 309.457 2.939 20 0 DFADMP Brc1cccc2c1C[C@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000423242736 296396203 /nfs/dbraw/zinc/39/62/03/296396203.db2.gz VUMHVGYAHGFOBF-CHWSQXEVSA-N 2 1 309.251 2.648 20 0 DFADMP N[C@H](C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423244525 296396603 /nfs/dbraw/zinc/39/66/03/296396603.db2.gz HPHFSRRTKQBNQN-HBFSDRIKSA-N 2 1 323.440 2.532 20 0 DFADMP N[C@H](C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423244524 296396670 /nfs/dbraw/zinc/39/66/70/296396670.db2.gz HPHFSRRTKQBNQN-GGPKGHCWSA-N 2 1 323.440 2.532 20 0 DFADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423263634 296398258 /nfs/dbraw/zinc/39/82/58/296398258.db2.gz BFPMOGRACOEBKA-OALUTQOASA-N 2 1 313.445 2.947 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261366 296397968 /nfs/dbraw/zinc/39/79/68/296397968.db2.gz RZBPXHOWXHEVAQ-HBFSDRIKSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261366 296397970 /nfs/dbraw/zinc/39/79/70/296397970.db2.gz RZBPXHOWXHEVAQ-HBFSDRIKSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423267874 296398494 /nfs/dbraw/zinc/39/84/94/296398494.db2.gz UCNHKXNWGUKAFK-KSSFIOAISA-N 2 1 313.449 2.826 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423266888 296398530 /nfs/dbraw/zinc/39/85/30/296398530.db2.gz DWOTVROQHUMRDZ-IMFGXOCKSA-N 3 1 315.505 2.799 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000423269095 296398848 /nfs/dbraw/zinc/39/88/48/296398848.db2.gz GMUHEMFYBQIXHL-WDEREUQCSA-N 2 1 315.255 2.964 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000423269811 296398961 /nfs/dbraw/zinc/39/89/61/296398961.db2.gz HQCKWXGYHCAOGL-JQWIXIFHSA-N 2 1 302.365 2.931 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423281144 296400614 /nfs/dbraw/zinc/40/06/14/296400614.db2.gz UYMJITJMQCPNMX-QRTARXTBSA-N 2 1 313.449 2.662 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423277458 296399769 /nfs/dbraw/zinc/39/97/69/296399769.db2.gz OCUMQFLIRHNWRP-WBMJQRKESA-N 2 1 304.438 2.604 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2(SC)CC2)CC1 ZINC000347848134 285205594 /nfs/dbraw/zinc/20/55/94/285205594.db2.gz IBSGEXGVHJYVCI-UHFFFAOYSA-N 2 1 314.539 2.952 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)n2n1 ZINC000271547484 209001469 /nfs/dbraw/zinc/00/14/69/209001469.db2.gz ZTVQUSOVWNVFJF-AWEZNQCLSA-N 2 1 303.454 2.727 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)n2n1 ZINC000271547484 209001470 /nfs/dbraw/zinc/00/14/70/209001470.db2.gz ZTVQUSOVWNVFJF-AWEZNQCLSA-N 2 1 303.454 2.727 20 0 DFADMP CSC[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423301279 296402473 /nfs/dbraw/zinc/40/24/73/296402473.db2.gz HBTCIYDEBRJRDP-CYBMUJFWSA-N 2 1 304.381 2.919 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624217624 399601331 /nfs/dbraw/zinc/60/13/31/399601331.db2.gz ASCNVVWGXRSWEU-OUUBHVDSSA-N 2 1 314.473 2.648 20 0 DFADMP CCN1CCC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347882882 285223219 /nfs/dbraw/zinc/22/32/19/285223219.db2.gz VGPMJNZYIZOSMM-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000347882882 285223222 /nfs/dbraw/zinc/22/32/22/285223222.db2.gz VGPMJNZYIZOSMM-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000347882882 285223228 /nfs/dbraw/zinc/22/32/28/285223228.db2.gz VGPMJNZYIZOSMM-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000347882882 285223233 /nfs/dbraw/zinc/22/32/33/285223233.db2.gz VGPMJNZYIZOSMM-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347882882 285223238 /nfs/dbraw/zinc/22/32/38/285223238.db2.gz VGPMJNZYIZOSMM-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423369165 296409353 /nfs/dbraw/zinc/40/93/53/296409353.db2.gz SOEHJGOZOKQHJH-ZIAGYGMSSA-N 2 1 320.433 2.874 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCOC1 ZINC000423370201 296409422 /nfs/dbraw/zinc/40/94/22/296409422.db2.gz PDZAWKMRZSUPPT-IHETXDGRSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000423370744 296409841 /nfs/dbraw/zinc/40/98/41/296409841.db2.gz HCENZPXUGSHKPO-JHJVBQTASA-N 2 1 319.840 2.712 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)c1OC ZINC000347911101 285239976 /nfs/dbraw/zinc/23/99/76/285239976.db2.gz KQFAFOHJEUMNFF-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1OC ZINC000347911101 285239979 /nfs/dbraw/zinc/23/99/79/285239979.db2.gz KQFAFOHJEUMNFF-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1OC ZINC000347911101 285239982 /nfs/dbraw/zinc/23/99/82/285239982.db2.gz KQFAFOHJEUMNFF-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000178522623 285245366 /nfs/dbraw/zinc/24/53/66/285245366.db2.gz GQFZSYWFPALQQY-QGZVFWFLSA-N 2 1 308.853 2.764 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1F ZINC000602877063 399611973 /nfs/dbraw/zinc/61/19/73/399611973.db2.gz LHSVKXIEJFDGFW-UHFFFAOYSA-N 2 1 320.408 2.530 20 0 DFADMP Cc1cc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)sc1Br ZINC000423436837 296416388 /nfs/dbraw/zinc/41/63/88/296416388.db2.gz SVDXXQUMEUSSNU-REIXXSIJSA-N 2 1 301.253 2.687 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cnn(C2CCCC2)c1 ZINC000423463048 296418623 /nfs/dbraw/zinc/41/86/23/296418623.db2.gz AIQROMXAJBASRT-TZMCWYRMSA-N 2 1 312.408 2.894 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccncn1 ZINC000423468981 296418890 /nfs/dbraw/zinc/41/88/90/296418890.db2.gz KCSNJWBTGWNUSX-UKPHBRMFSA-N 2 1 314.408 2.660 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)ccc1F ZINC000423475354 296419759 /nfs/dbraw/zinc/41/97/59/296419759.db2.gz KETUSAZEFJIZMG-PWSUYJOCSA-N 2 1 302.340 2.730 20 0 DFADMP C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934559 285255102 /nfs/dbraw/zinc/25/51/02/285255102.db2.gz OYBWJHCPOCUKIY-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000423470178 296419072 /nfs/dbraw/zinc/41/90/72/296419072.db2.gz GONPUQIQYCUSSR-FZMZJTMJSA-N 2 1 311.376 2.540 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423527360 296426199 /nfs/dbraw/zinc/42/61/99/296426199.db2.gz VSHMOLGTKAAPSK-KBAYOESNSA-N 2 1 321.896 2.544 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291279784 285289833 /nfs/dbraw/zinc/28/98/33/285289833.db2.gz RBXQLILWJZSCBD-VQIMIIECSA-N 2 1 318.461 2.596 20 0 DFADMP OC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153745844 285289838 /nfs/dbraw/zinc/28/98/38/285289838.db2.gz LRDUDVPXYXMGRS-UYAOXDASSA-N 2 1 316.489 2.834 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289545017 221055595 /nfs/dbraw/zinc/05/55/95/221055595.db2.gz BVIWAWYJIUVCNT-CQSZACIVSA-N 2 1 322.449 2.552 20 0 DFADMP CO[C@@H](C)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289617779 221107157 /nfs/dbraw/zinc/10/71/57/221107157.db2.gz LKROMPVUUOUFSP-INIZCTEOSA-N 2 1 319.493 2.684 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289295 399627377 /nfs/dbraw/zinc/62/73/77/399627377.db2.gz ILQRRIZEZNHNKG-WKPIXPDZSA-N 2 1 317.260 2.957 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289295 399627382 /nfs/dbraw/zinc/62/73/82/399627382.db2.gz ILQRRIZEZNHNKG-WKPIXPDZSA-N 2 1 317.260 2.957 20 0 DFADMP C[N@H+](Cc1ccc(N2CCCC2)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289664997 221141217 /nfs/dbraw/zinc/14/12/17/221141217.db2.gz NITAZMYYIKVWHL-JWTNVVGKSA-N 2 1 314.477 2.739 20 0 DFADMP C[N@@H+](Cc1ccc(N2CCCC2)nc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289664997 221141220 /nfs/dbraw/zinc/14/12/20/221141220.db2.gz NITAZMYYIKVWHL-JWTNVVGKSA-N 2 1 314.477 2.739 20 0 DFADMP C[NH+](Cc1ccc(N2CCCC2)nc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289664997 221141221 /nfs/dbraw/zinc/14/12/21/221141221.db2.gz NITAZMYYIKVWHL-JWTNVVGKSA-N 2 1 314.477 2.739 20 0 DFADMP C[NH+](Cc1ccc(N2CCCC2)nc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289664997 221141224 /nfs/dbraw/zinc/14/12/24/221141224.db2.gz NITAZMYYIKVWHL-JWTNVVGKSA-N 2 1 314.477 2.739 20 0 DFADMP CC(C)n1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nn1 ZINC000289677085 221148479 /nfs/dbraw/zinc/14/84/79/221148479.db2.gz JFWSVOZDYXAXRH-UHFFFAOYSA-N 2 1 315.465 2.989 20 0 DFADMP CC(C)n1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nn1 ZINC000289677085 221148480 /nfs/dbraw/zinc/14/84/80/221148480.db2.gz JFWSVOZDYXAXRH-UHFFFAOYSA-N 2 1 315.465 2.989 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000120928623 195266430 /nfs/dbraw/zinc/26/64/30/195266430.db2.gz OWTJZBUVIRGAPL-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000120928623 195266432 /nfs/dbraw/zinc/26/64/32/195266432.db2.gz OWTJZBUVIRGAPL-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000120928623 195266435 /nfs/dbraw/zinc/26/64/35/195266435.db2.gz OWTJZBUVIRGAPL-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000120928623 195266438 /nfs/dbraw/zinc/26/64/38/195266438.db2.gz OWTJZBUVIRGAPL-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348039493 285311515 /nfs/dbraw/zinc/31/15/15/285311515.db2.gz MEOMMUGRVZMOIV-VDZJLULYSA-N 2 1 302.462 2.648 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289754906 221203526 /nfs/dbraw/zinc/20/35/26/221203526.db2.gz MTGSATYBGXIEAF-HNNXBMFYSA-N 2 1 301.434 2.854 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000289754906 221203529 /nfs/dbraw/zinc/20/35/29/221203529.db2.gz MTGSATYBGXIEAF-HNNXBMFYSA-N 2 1 301.434 2.854 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000294879028 224281534 /nfs/dbraw/zinc/28/15/34/224281534.db2.gz VKFSTEIEUZWLFY-RSPOEFSDSA-N 2 1 316.489 2.895 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn(C(C)C)nn2)cc1 ZINC000289783834 221224055 /nfs/dbraw/zinc/22/40/55/221224055.db2.gz QDFDPMZBWGTKQC-UHFFFAOYSA-N 2 1 315.465 2.991 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(Br)c1 ZINC000629525234 399634935 /nfs/dbraw/zinc/63/49/35/399634935.db2.gz YXILREGZKMRKNY-LLVKDONJSA-N 2 1 313.239 2.608 20 0 DFADMP [NH3+]C1(C[NH2+][C@H]2CCSc3ccc(Cl)cc32)CCOCC1 ZINC000629521832 399634846 /nfs/dbraw/zinc/63/48/46/399634846.db2.gz SGCPADFIMLCVRA-ZDUSSCGKSA-N 2 1 312.866 2.974 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000629528031 399636542 /nfs/dbraw/zinc/63/65/42/399636542.db2.gz NBRJRTIIMRVOCF-LQKXBSAESA-N 2 1 306.450 2.926 20 0 DFADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000629533208 399637632 /nfs/dbraw/zinc/63/76/32/399637632.db2.gz NHYUICZWNBHGQA-QGZVFWFLSA-N 2 1 317.477 2.701 20 0 DFADMP Oc1cc(C[NH2+]CCC[NH+]2CCCC2)cc(C(F)(F)F)c1 ZINC000290004762 221374313 /nfs/dbraw/zinc/37/43/13/221374313.db2.gz UCDYCXGQQVZZRA-UHFFFAOYSA-N 2 1 302.340 2.987 20 0 DFADMP C[C@@H]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]1 ZINC000629543369 399641175 /nfs/dbraw/zinc/64/11/75/399641175.db2.gz ZPIJLMAAJAMMDS-RACLHMPKSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000629543828 399641901 /nfs/dbraw/zinc/64/19/01/399641901.db2.gz CKUXBBPOODCCSA-GWFLUQINSA-N 3 1 301.478 2.770 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1NC1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000629543828 399641904 /nfs/dbraw/zinc/64/19/04/399641904.db2.gz CKUXBBPOODCCSA-GWFLUQINSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1NC1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000629543828 399641906 /nfs/dbraw/zinc/64/19/06/399641906.db2.gz CKUXBBPOODCCSA-GWFLUQINSA-N 2 1 301.478 2.770 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OCC ZINC000624357978 399652956 /nfs/dbraw/zinc/65/29/56/399652956.db2.gz QNJXVCAXDRSSOD-OAHLLOKOSA-N 2 1 315.417 2.785 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000629575581 399653900 /nfs/dbraw/zinc/65/39/00/399653900.db2.gz JKNHGYBLRMUMSL-HKUYNNGSSA-N 2 1 302.462 2.844 20 0 DFADMP COc1cccc(SCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596415 399660003 /nfs/dbraw/zinc/66/00/03/399660003.db2.gz YOEUABQGBQNDBL-CALCHBBNSA-N 2 1 306.475 2.719 20 0 DFADMP COc1cccc(SCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629596415 399660005 /nfs/dbraw/zinc/66/00/05/399660005.db2.gz YOEUABQGBQNDBL-CALCHBBNSA-N 2 1 306.475 2.719 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)c2sccc21 ZINC000629545509 399642896 /nfs/dbraw/zinc/64/28/96/399642896.db2.gz BXIWCRNRWKOFBM-ZLDLUXBVSA-N 2 1 317.462 2.602 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629560288 399649119 /nfs/dbraw/zinc/64/91/19/399649119.db2.gz FBQIORZUNRAJFP-DZGCQCFKSA-N 2 1 316.367 2.915 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629560288 399649124 /nfs/dbraw/zinc/64/91/24/399649124.db2.gz FBQIORZUNRAJFP-DZGCQCFKSA-N 2 1 316.367 2.915 20 0 DFADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563267 399650150 /nfs/dbraw/zinc/65/01/50/399650150.db2.gz DNSBSODVRYNZGV-DZGCQCFKSA-N 2 1 316.367 2.833 20 0 DFADMP Cc1cccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563267 399650152 /nfs/dbraw/zinc/65/01/52/399650152.db2.gz DNSBSODVRYNZGV-DZGCQCFKSA-N 2 1 316.367 2.833 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561860 399650274 /nfs/dbraw/zinc/65/02/74/399650274.db2.gz KBLXLSPWFCRTJJ-GXTWGEPZSA-N 2 1 302.340 2.654 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561860 399650277 /nfs/dbraw/zinc/65/02/77/399650277.db2.gz KBLXLSPWFCRTJJ-GXTWGEPZSA-N 2 1 302.340 2.654 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1cccc(Br)c1 ZINC000629572225 399651796 /nfs/dbraw/zinc/65/17/96/399651796.db2.gz OVKNWPHRTRBOBM-GFCCVEGCSA-N 2 1 315.255 2.678 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629665497 399681718 /nfs/dbraw/zinc/68/17/18/399681718.db2.gz NBOCIXPIJSGRQN-KDURUIRLSA-N 2 1 310.445 2.817 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629665497 399681724 /nfs/dbraw/zinc/68/17/24/399681724.db2.gz NBOCIXPIJSGRQN-KDURUIRLSA-N 2 1 310.445 2.817 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(-c2ccnn2C)c1 ZINC000629666260 399683247 /nfs/dbraw/zinc/68/32/47/399683247.db2.gz NIRIVYQRFCEGBR-BGYRXZFFSA-N 2 1 324.472 2.827 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(-c2ccnn2C)c1 ZINC000629666260 399683251 /nfs/dbraw/zinc/68/32/51/399683251.db2.gz NIRIVYQRFCEGBR-BGYRXZFFSA-N 2 1 324.472 2.827 20 0 DFADMP C[NH2+]CCc1cccc(-c2ccc(C[NH+]3CCOCC3)cc2)c1 ZINC000629732356 399706121 /nfs/dbraw/zinc/70/61/21/399706121.db2.gz CCSOTHVJUGKWTF-UHFFFAOYSA-N 2 1 310.441 2.948 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2cccc3c2C[NH2+]C3)CC1 ZINC000629734926 399707951 /nfs/dbraw/zinc/70/79/51/399707951.db2.gz ARMQSBPDIRQEON-UHFFFAOYSA-N 2 1 307.441 2.704 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000294973125 224349661 /nfs/dbraw/zinc/34/96/61/224349661.db2.gz KBXKKDXRLKYTQI-LPHOPBHVSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294976209 224352377 /nfs/dbraw/zinc/35/23/77/224352377.db2.gz KHRHECGUYJOJFQ-APWZRJJASA-N 2 1 324.472 2.828 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977674 224353808 /nfs/dbraw/zinc/35/38/08/224353808.db2.gz GGWHNGPRXSXWRJ-MANSERQUSA-N 2 1 300.446 2.666 20 0 DFADMP CO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000091772894 542541564 /nfs/dbraw/zinc/54/15/64/542541564.db2.gz NLMHLAQCCOCQGO-IBGZPJMESA-N 2 1 318.461 2.772 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000093643823 542553364 /nfs/dbraw/zinc/55/33/64/542553364.db2.gz RMTPEBFDIUYJTP-AEFFLSMTSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000093643823 542553366 /nfs/dbraw/zinc/55/33/66/542553366.db2.gz RMTPEBFDIUYJTP-AEFFLSMTSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000093643823 542553371 /nfs/dbraw/zinc/55/33/71/542553371.db2.gz RMTPEBFDIUYJTP-AEFFLSMTSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[NH+]1C ZINC000093643823 542553373 /nfs/dbraw/zinc/55/33/73/542553373.db2.gz RMTPEBFDIUYJTP-AEFFLSMTSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[NH+]1C ZINC000093643823 542553377 /nfs/dbraw/zinc/55/33/77/542553377.db2.gz RMTPEBFDIUYJTP-AEFFLSMTSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000093643823 542553382 /nfs/dbraw/zinc/55/33/82/542553382.db2.gz RMTPEBFDIUYJTP-AEFFLSMTSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000093643823 542553385 /nfs/dbraw/zinc/55/33/85/542553385.db2.gz RMTPEBFDIUYJTP-AEFFLSMTSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093499748 542553653 /nfs/dbraw/zinc/55/36/53/542553653.db2.gz YBDSGEBEDZPTTD-CABCVRRESA-N 2 1 308.491 2.953 20 0 DFADMP C[C@H]1OCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000093418736 542554114 /nfs/dbraw/zinc/55/41/14/542554114.db2.gz OJRBOLVQBUPWGU-DLBZAZTESA-N 2 1 318.461 2.770 20 0 DFADMP C[C@H]1OCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000093418736 542554119 /nfs/dbraw/zinc/55/41/19/542554119.db2.gz OJRBOLVQBUPWGU-DLBZAZTESA-N 2 1 318.461 2.770 20 0 DFADMP CCC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093508498 542554153 /nfs/dbraw/zinc/55/41/53/542554153.db2.gz KHUMMVYADCPADE-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP CCC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093508498 542554158 /nfs/dbraw/zinc/55/41/58/542554158.db2.gz KHUMMVYADCPADE-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1CCCO1 ZINC000092406911 542547406 /nfs/dbraw/zinc/54/74/06/542547406.db2.gz ZOJWWBKMVSXZLL-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP CC1=CC[C@@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617502566 399719030 /nfs/dbraw/zinc/71/90/30/399719030.db2.gz UVWREVPMBXJLCW-FUHWJXTLSA-N 2 1 309.498 2.511 20 0 DFADMP CC1=CC[C@@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617502566 399719033 /nfs/dbraw/zinc/71/90/33/399719033.db2.gz UVWREVPMBXJLCW-FUHWJXTLSA-N 2 1 309.498 2.511 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CCC1CCCCC1 ZINC000617503728 399720674 /nfs/dbraw/zinc/72/06/74/399720674.db2.gz WLASYVQHBFZUPM-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CCC1CCCCC1 ZINC000617503728 399720675 /nfs/dbraw/zinc/72/06/75/399720675.db2.gz WLASYVQHBFZUPM-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000617505568 399720923 /nfs/dbraw/zinc/72/09/23/399720923.db2.gz IKTHDHZHPURHLI-RYQLBKOJSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@H]1C1CCCCC1 ZINC000617505568 399720927 /nfs/dbraw/zinc/72/09/27/399720927.db2.gz IKTHDHZHPURHLI-RYQLBKOJSA-N 2 1 323.525 2.591 20 0 DFADMP O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182792150 285340026 /nfs/dbraw/zinc/34/00/26/285340026.db2.gz NLFRKBZUGZCLMC-QXAKKESOSA-N 2 1 300.446 2.595 20 0 DFADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000617551018 399731932 /nfs/dbraw/zinc/73/19/32/399731932.db2.gz JHTODDDJDGMYRJ-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348098240 285346601 /nfs/dbraw/zinc/34/66/01/285346601.db2.gz ABKGEQLMSADRHO-YIYPIFLZSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000348098240 285346606 /nfs/dbraw/zinc/34/66/06/285346606.db2.gz ABKGEQLMSADRHO-YIYPIFLZSA-N 2 1 308.388 2.806 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000348110501 285355559 /nfs/dbraw/zinc/35/55/59/285355559.db2.gz MYFMDAVFEAGKLB-XWSJACJDSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000348110501 285355561 /nfs/dbraw/zinc/35/55/61/285355561.db2.gz MYFMDAVFEAGKLB-XWSJACJDSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@H]1CC[NH+](C)C1 ZINC000120974755 195274458 /nfs/dbraw/zinc/27/44/58/195274458.db2.gz CTQXRZUSKRSLIC-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@H]1CC[NH+](C)C1 ZINC000120974755 195274460 /nfs/dbraw/zinc/27/44/60/195274460.db2.gz CTQXRZUSKRSLIC-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@H]1CC[N@H+](C)C1 ZINC000120974755 195274463 /nfs/dbraw/zinc/27/44/63/195274463.db2.gz CTQXRZUSKRSLIC-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@H]1CC[N@@H+](C)C1 ZINC000120974755 195274465 /nfs/dbraw/zinc/27/44/65/195274465.db2.gz CTQXRZUSKRSLIC-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP CCCOc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1OC ZINC000121022972 195281836 /nfs/dbraw/zinc/28/18/36/195281836.db2.gz KHQXBKRYRLTMNL-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC ZINC000121022972 195281839 /nfs/dbraw/zinc/28/18/39/195281839.db2.gz KHQXBKRYRLTMNL-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC ZINC000121022972 195281841 /nfs/dbraw/zinc/28/18/41/195281841.db2.gz KHQXBKRYRLTMNL-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1OC ZINC000121022972 195281843 /nfs/dbraw/zinc/28/18/43/195281843.db2.gz KHQXBKRYRLTMNL-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000121078744 195291016 /nfs/dbraw/zinc/29/10/16/195291016.db2.gz HPWMXWROWCGRBQ-INIZCTEOSA-N 2 1 320.477 2.610 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000348139671 285377107 /nfs/dbraw/zinc/37/71/07/285377107.db2.gz ONAVRUMRWVWBHK-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@@H](C)[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000348139671 285377108 /nfs/dbraw/zinc/37/71/08/285377108.db2.gz ONAVRUMRWVWBHK-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000295036153 533265815 /nfs/dbraw/zinc/26/58/15/533265815.db2.gz OGDCRHPWHFITKG-OOKSDGMUSA-N 2 1 300.446 2.767 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000294724898 533505892 /nfs/dbraw/zinc/50/58/92/533505892.db2.gz CWSAOWSLLVKYND-HZTRTUMWSA-N 2 1 318.461 2.937 20 0 DFADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C2CC2)c1 ZINC000121326780 542584445 /nfs/dbraw/zinc/58/44/45/542584445.db2.gz UNIQIDBHUMLDEA-LPHOPBHVSA-N 2 1 302.462 2.948 20 0 DFADMP COc1ccc([C@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)cc1F ZINC000626126971 399765553 /nfs/dbraw/zinc/76/55/53/399765553.db2.gz AMYVUXJMAGRVHQ-HNNXBMFYSA-N 2 1 317.408 2.990 20 0 DFADMP COc1ccc([C@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1F ZINC000626126971 399765561 /nfs/dbraw/zinc/76/55/61/399765561.db2.gz AMYVUXJMAGRVHQ-HNNXBMFYSA-N 2 1 317.408 2.990 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629965525 399772480 /nfs/dbraw/zinc/77/24/80/399772480.db2.gz FVCFSQSQCGEGLX-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1)C(C)C ZINC000617752255 399790008 /nfs/dbraw/zinc/79/00/08/399790008.db2.gz KVOAOYKHFHCNML-INIZCTEOSA-N 2 1 319.493 2.987 20 0 DFADMP C[N@@H+](CC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CCC1 ZINC000630011165 399791474 /nfs/dbraw/zinc/79/14/74/399791474.db2.gz DYJJCYGYVDUMRD-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP CN(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166251516 542749432 /nfs/dbraw/zinc/74/94/32/542749432.db2.gz VTOXNQPJIUBDRA-HZPDHXFCSA-N 2 1 305.441 2.868 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166194875 542749736 /nfs/dbraw/zinc/74/97/36/542749736.db2.gz QVLOBDSMWAWULI-ZWKOTPCHSA-N 2 1 315.461 2.543 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166194875 542749739 /nfs/dbraw/zinc/74/97/39/542749739.db2.gz QVLOBDSMWAWULI-ZWKOTPCHSA-N 2 1 315.461 2.543 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000166436141 542751600 /nfs/dbraw/zinc/75/16/00/542751600.db2.gz XBCXBJWYHXWZIL-KSZLIROESA-N 2 1 317.477 2.941 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)[C@@H](C)O1 ZINC000682168455 545812126 /nfs/dbraw/zinc/81/21/26/545812126.db2.gz ARFUTLMXXDLGIM-BZUAXINKSA-N 2 1 306.450 2.625 20 0 DFADMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1Cl ZINC000195441538 542865459 /nfs/dbraw/zinc/86/54/59/542865459.db2.gz HWPVXFLWBZCVKN-UHFFFAOYSA-N 2 1 309.885 2.766 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496196220 300028437 /nfs/dbraw/zinc/02/84/37/300028437.db2.gz AJNVNSWCTGFVLB-YJNKXOJESA-N 2 1 313.486 2.608 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)C1 ZINC000237503219 542902830 /nfs/dbraw/zinc/90/28/30/542902830.db2.gz LOLUAXAJSGKBRN-AWEZNQCLSA-N 2 1 303.450 2.984 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1CCC([NH3+])CC1 ZINC000621502457 399819131 /nfs/dbraw/zinc/81/91/31/399819131.db2.gz SGGOYUZWWZBQKQ-UHFFFAOYSA-N 2 1 317.477 2.661 20 0 DFADMP c1ccc(C[N@H+](C[C@@H]2CCSC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261650377 542952840 /nfs/dbraw/zinc/95/28/40/542952840.db2.gz BAPWCTISTPUYDP-DOTOQJQBSA-N 2 1 305.491 2.779 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1Cc1ccccc1 ZINC000268862112 542960667 /nfs/dbraw/zinc/96/06/67/542960667.db2.gz DQBAQKQAYTTXHY-QTUASDBPSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1Cc1ccccc1 ZINC000268862112 542960670 /nfs/dbraw/zinc/96/06/70/542960670.db2.gz DQBAQKQAYTTXHY-QTUASDBPSA-N 2 1 300.446 2.949 20 0 DFADMP CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000617924917 399834422 /nfs/dbraw/zinc/83/44/22/399834422.db2.gz BBVBETHKZGMTSO-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCCC1 ZINC000305881534 543063302 /nfs/dbraw/zinc/06/33/02/543063302.db2.gz VHBHUKFDBPXINI-CEXWTWQISA-N 2 1 314.473 2.792 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000309821769 543065518 /nfs/dbraw/zinc/06/55/18/543065518.db2.gz ZSYRYXAWYQNDCP-IBGZPJMESA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319721111 543080410 /nfs/dbraw/zinc/08/04/10/543080410.db2.gz MLAMPHMENBSZEE-RHQZKXFESA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319721111 543080413 /nfs/dbraw/zinc/08/04/13/543080413.db2.gz MLAMPHMENBSZEE-RHQZKXFESA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H]2[C@H]2CCCC[C@H]2O)C1 ZINC000319721111 543080416 /nfs/dbraw/zinc/08/04/16/543080416.db2.gz MLAMPHMENBSZEE-RHQZKXFESA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H](CCc1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388512 399843281 /nfs/dbraw/zinc/84/32/81/399843281.db2.gz HYEHFSULIOJPIM-ICSRJNTNSA-N 2 1 315.505 2.720 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+]1CCCC[C@@H]1C)CC2 ZINC000339284567 543143650 /nfs/dbraw/zinc/14/36/50/543143650.db2.gz RWDQUKIJDOTRKN-KSZLIROESA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)CC[N@@H+]1CCCC[C@@H]1C)CC2 ZINC000339284567 543143654 /nfs/dbraw/zinc/14/36/54/543143654.db2.gz RWDQUKIJDOTRKN-KSZLIROESA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)CC[N@H+]1CCCC[C@@H]1C)CC2 ZINC000339284567 543143656 /nfs/dbraw/zinc/14/36/56/543143656.db2.gz RWDQUKIJDOTRKN-KSZLIROESA-N 2 1 321.509 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069647 543139724 /nfs/dbraw/zinc/13/97/24/543139724.db2.gz YUTWNLHHIUMKSL-XUVXKRRUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000339069647 543139726 /nfs/dbraw/zinc/13/97/26/543139726.db2.gz YUTWNLHHIUMKSL-XUVXKRRUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@H]2CC[NH+]3CCC[C@@H]3C2)cc1 ZINC000339069647 543139727 /nfs/dbraw/zinc/13/97/27/543139727.db2.gz YUTWNLHHIUMKSL-XUVXKRRUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339069647 543139729 /nfs/dbraw/zinc/13/97/29/543139729.db2.gz YUTWNLHHIUMKSL-XUVXKRRUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000339069647 543139731 /nfs/dbraw/zinc/13/97/31/543139731.db2.gz YUTWNLHHIUMKSL-XUVXKRRUSA-N 2 1 313.489 2.867 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000339250992 543142009 /nfs/dbraw/zinc/14/20/09/543142009.db2.gz QANLEWJZVZFRLY-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000339250992 543142011 /nfs/dbraw/zinc/14/20/11/543142011.db2.gz QANLEWJZVZFRLY-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC000339250992 543142012 /nfs/dbraw/zinc/14/20/12/543142012.db2.gz QANLEWJZVZFRLY-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000339831154 543148228 /nfs/dbraw/zinc/14/82/28/543148228.db2.gz MFJOWEUFOCWTIH-INIZCTEOSA-N 2 1 303.450 2.562 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000339831154 543148232 /nfs/dbraw/zinc/14/82/32/543148232.db2.gz MFJOWEUFOCWTIH-INIZCTEOSA-N 2 1 303.450 2.562 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000339831155 543148373 /nfs/dbraw/zinc/14/83/73/543148373.db2.gz MFJOWEUFOCWTIH-MRXNPFEDSA-N 2 1 303.450 2.562 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000339831155 543148376 /nfs/dbraw/zinc/14/83/76/543148376.db2.gz MFJOWEUFOCWTIH-MRXNPFEDSA-N 2 1 303.450 2.562 20 0 DFADMP CC[NH+](C[C@H]1CCCO1)[C@@H](C)CC[N@H+](CC)C[C@@H]1CCCO1 ZINC000343606527 543168116 /nfs/dbraw/zinc/16/81/16/543168116.db2.gz XLNKJEYRXOCXPH-OKZBNKHCSA-N 2 1 312.498 2.767 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)C2CCC(C)CC2)CC1 ZINC000052103883 425884249 /nfs/dbraw/zinc/88/42/49/425884249.db2.gz HYLUNAJRFVINSK-UHFFFAOYSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H]3C3CC3)CC2)nc(C)[nH+]1 ZINC000348065257 543183162 /nfs/dbraw/zinc/18/31/62/543183162.db2.gz BPCYVFDITFLNPP-DLBZAZTESA-N 2 1 300.450 2.840 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348107905 543183650 /nfs/dbraw/zinc/18/36/50/543183650.db2.gz JOCJJEHHNNLSSP-ZGXWSNOMSA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348107905 543183652 /nfs/dbraw/zinc/18/36/52/543183652.db2.gz JOCJJEHHNNLSSP-ZGXWSNOMSA-N 2 1 314.473 2.648 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CC2)C1 ZINC000348385282 543184714 /nfs/dbraw/zinc/18/47/14/543184714.db2.gz WAOXBLBNPUPJMZ-GUDVDZBRSA-N 2 1 300.446 2.531 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348386952 543185461 /nfs/dbraw/zinc/18/54/61/543185461.db2.gz XSDSOVRKKQPZPV-SLFFLAALSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000357815037 543264122 /nfs/dbraw/zinc/26/41/22/543264122.db2.gz VESMVOSHUFHWQY-FPAYPSAMSA-N 2 1 304.478 2.546 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000358758336 543269275 /nfs/dbraw/zinc/26/92/75/543269275.db2.gz SELUSGCKKRCWIK-IVMMDQJWSA-N 2 1 304.434 2.763 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000358758336 543269277 /nfs/dbraw/zinc/26/92/77/543269277.db2.gz SELUSGCKKRCWIK-IVMMDQJWSA-N 2 1 304.434 2.763 20 0 DFADMP C[C@H](CCNC(=O)C1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000379682722 543297259 /nfs/dbraw/zinc/29/72/59/543297259.db2.gz YJLHJGUNSUIYDG-FAEJEUNOSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H](CCNC(=O)CCC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379673655 543297327 /nfs/dbraw/zinc/29/73/27/543297327.db2.gz RHYQHNPSZYVHOC-HNNXBMFYSA-N 2 1 305.466 2.531 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379642525 543297519 /nfs/dbraw/zinc/29/75/19/543297519.db2.gz AEZYGEDYIVZTCO-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379642525 543297520 /nfs/dbraw/zinc/29/75/20/543297520.db2.gz AEZYGEDYIVZTCO-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379642525 543297521 /nfs/dbraw/zinc/29/75/21/543297521.db2.gz AEZYGEDYIVZTCO-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379642525 543297522 /nfs/dbraw/zinc/29/75/22/543297522.db2.gz AEZYGEDYIVZTCO-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378903930 543296802 /nfs/dbraw/zinc/29/68/02/543296802.db2.gz YDHJRXOGGUEBHV-FPMFFAJLSA-N 2 1 300.406 2.546 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000402806736 543313360 /nfs/dbraw/zinc/31/33/60/543313360.db2.gz CDADULMQMHIYGE-IEBWSBKVSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000402806736 543313361 /nfs/dbraw/zinc/31/33/61/543313361.db2.gz CDADULMQMHIYGE-IEBWSBKVSA-N 2 1 324.472 2.970 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000165347230 145229010 /nfs/dbraw/zinc/22/90/10/145229010.db2.gz JCAVKIUHBRDUSB-MJGOQNOKSA-N 2 1 316.489 2.956 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000425359320 296573010 /nfs/dbraw/zinc/57/30/10/296573010.db2.gz PQAUPMUUDJBUBP-DLBZAZTESA-N 2 1 306.475 2.502 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000414337143 543325751 /nfs/dbraw/zinc/32/57/51/543325751.db2.gz KNBDYOFQNSRUDS-WZGPROSRSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000414337143 543325752 /nfs/dbraw/zinc/32/57/52/543325752.db2.gz KNBDYOFQNSRUDS-WZGPROSRSA-N 2 1 302.462 2.963 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414982682 543328321 /nfs/dbraw/zinc/32/83/21/543328321.db2.gz SCPBWNSCXYXLDJ-LLVKDONJSA-N 2 1 308.223 2.824 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000173615251 145348938 /nfs/dbraw/zinc/34/89/38/145348938.db2.gz XBNACQWHHVGBHR-HWOWSKLDSA-N 2 1 309.498 2.532 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630509536 399896457 /nfs/dbraw/zinc/89/64/57/399896457.db2.gz NPUGFBCKPPVPFE-CABCVRRESA-N 2 1 323.444 2.560 20 0 DFADMP C[C@]1(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CCC[NH2+]C1 ZINC000630512007 399896935 /nfs/dbraw/zinc/89/69/35/399896935.db2.gz HWYYLPKIVDXYKC-IBGZPJMESA-N 2 1 323.444 2.798 20 0 DFADMP Brc1ccc2[nH+]ccc(N3C[C@H]4CC[C@@H](C3)[NH2+]4)c2c1 ZINC000630558210 399902868 /nfs/dbraw/zinc/90/28/68/399902868.db2.gz RWUGJNQYFRCPOV-TXEJJXNPSA-N 2 1 318.218 2.938 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2ccc(Br)cc21 ZINC000630559731 399903237 /nfs/dbraw/zinc/90/32/37/399903237.db2.gz ZESCTHYONOLKNS-KOLCDFICSA-N 2 1 306.207 2.923 20 0 DFADMP O=c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)c[nH]1 ZINC000631112825 399982862 /nfs/dbraw/zinc/98/28/62/399982862.db2.gz XZWDQJSGBHFGNS-GUDVDZBRSA-N 2 1 323.440 2.787 20 0 DFADMP COCCc1ncc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)s1 ZINC000631035175 399966100 /nfs/dbraw/zinc/96/61/00/399966100.db2.gz KGHJCMQUBZIVTD-AWEZNQCLSA-N 2 1 311.495 2.686 20 0 DFADMP COCCc1ncc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)s1 ZINC000631035175 399966102 /nfs/dbraw/zinc/96/61/02/399966102.db2.gz KGHJCMQUBZIVTD-AWEZNQCLSA-N 2 1 311.495 2.686 20 0 DFADMP COc1ccccc1N1CCC([NH2+]C[C@@H](C2CC2)[NH+](C)C)CC1 ZINC000631047262 399968762 /nfs/dbraw/zinc/96/87/62/399968762.db2.gz RDTHOINACMXFKK-SFHVURJKSA-N 2 1 317.477 2.594 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000631064608 399972305 /nfs/dbraw/zinc/97/23/05/399972305.db2.gz MEUHDHFFRZSYDQ-AWEZNQCLSA-N 2 1 311.495 2.542 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000631064608 399972306 /nfs/dbraw/zinc/97/23/06/399972306.db2.gz MEUHDHFFRZSYDQ-AWEZNQCLSA-N 2 1 311.495 2.542 20 0 DFADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+](CCO)CC2)c(C)c1 ZINC000631063481 399972371 /nfs/dbraw/zinc/97/23/71/399972371.db2.gz ALCBGNULYIQYMD-PLNGDYQASA-N 2 1 302.462 2.671 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631082858 399977140 /nfs/dbraw/zinc/97/71/40/399977140.db2.gz IQGYBSMQQZBVRL-CRAIPNDOSA-N 2 1 311.429 2.787 20 0 DFADMP C[N@H+]1CCCC[C@@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC000633678466 399933810 /nfs/dbraw/zinc/93/38/10/399933810.db2.gz DXCCOSLXBXYKJU-AWEZNQCLSA-N 2 1 312.417 2.538 20 0 DFADMP CCC(O)(CC)C[N@@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000628479968 400035707 /nfs/dbraw/zinc/03/57/07/400035707.db2.gz RITPXCFTXYIJBG-UHFFFAOYSA-N 2 1 302.422 2.559 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631166768 399994110 /nfs/dbraw/zinc/99/41/10/399994110.db2.gz MEDULQHVRFTDQP-UHFFFAOYSA-N 2 1 316.420 2.915 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2[nH]ccc2c1 ZINC000628191096 399999287 /nfs/dbraw/zinc/99/92/87/399999287.db2.gz ZOUJULPZFICWJE-NEWSRXKRSA-N 2 1 313.445 2.851 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194539 400000398 /nfs/dbraw/zinc/00/03/98/400000398.db2.gz LYTDIDYFRLNLGD-WZGPROSRSA-N 2 1 302.462 2.912 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194541 400000449 /nfs/dbraw/zinc/00/04/49/400000449.db2.gz LYTDIDYFRLNLGD-XGXHKWSGSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195837 400001278 /nfs/dbraw/zinc/00/12/78/400001278.db2.gz KNTHPZZGIUXPFM-RDTXWAMCSA-N 2 1 312.461 2.884 20 0 DFADMP CCC[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000631199364 400002088 /nfs/dbraw/zinc/00/20/88/400002088.db2.gz PTDGASPGOXXGHH-SFHVURJKSA-N 2 1 322.468 2.973 20 0 DFADMP C[N@H+]([C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000628267625 400010815 /nfs/dbraw/zinc/01/08/15/400010815.db2.gz RWKNQISBUKOHFD-YESZJQIVSA-N 2 1 303.450 2.716 20 0 DFADMP C[N@@H+]([C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000628267625 400010817 /nfs/dbraw/zinc/01/08/17/400010817.db2.gz RWKNQISBUKOHFD-YESZJQIVSA-N 2 1 303.450 2.716 20 0 DFADMP C[NH+]([C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000628267625 400010819 /nfs/dbraw/zinc/01/08/19/400010819.db2.gz RWKNQISBUKOHFD-YESZJQIVSA-N 2 1 303.450 2.716 20 0 DFADMP C[NH+]([C@H]1CCO[C@@H]1c1cccnc1)[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628267625 400010820 /nfs/dbraw/zinc/01/08/20/400010820.db2.gz RWKNQISBUKOHFD-YESZJQIVSA-N 2 1 303.450 2.716 20 0 DFADMP C[N@H+]([C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000628267624 400011014 /nfs/dbraw/zinc/01/10/14/400011014.db2.gz RWKNQISBUKOHFD-IXDOHACOSA-N 2 1 303.450 2.716 20 0 DFADMP C[N@@H+]([C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000628267624 400011015 /nfs/dbraw/zinc/01/10/15/400011015.db2.gz RWKNQISBUKOHFD-IXDOHACOSA-N 2 1 303.450 2.716 20 0 DFADMP C[NH+]([C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000628267624 400011016 /nfs/dbraw/zinc/01/10/16/400011016.db2.gz RWKNQISBUKOHFD-IXDOHACOSA-N 2 1 303.450 2.716 20 0 DFADMP C[NH+]([C@H]1CCO[C@@H]1c1cccnc1)[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000628267624 400011017 /nfs/dbraw/zinc/01/10/17/400011017.db2.gz RWKNQISBUKOHFD-IXDOHACOSA-N 2 1 303.450 2.716 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337278 400022418 /nfs/dbraw/zinc/02/24/18/400022418.db2.gz ATDISPLRWPCRPV-DYVFJYSZSA-N 2 1 324.415 2.777 20 0 DFADMP c1cc(C[N@H+]2CC[C@H]3CC[C@@H](C2)S3)n(-c2cc[nH+]cc2)n1 ZINC000628423331 400031236 /nfs/dbraw/zinc/03/12/36/400031236.db2.gz OBVGBFBMORCLQH-CVEARBPZSA-N 2 1 300.431 2.737 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+](C)C1)c1ccccc1 ZINC000628757220 400053941 /nfs/dbraw/zinc/05/39/41/400053941.db2.gz ZZNVCVDGINIBJR-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628757220 400053942 /nfs/dbraw/zinc/05/39/42/400053942.db2.gz ZZNVCVDGINIBJR-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628757220 400053943 /nfs/dbraw/zinc/05/39/43/400053943.db2.gz ZZNVCVDGINIBJR-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631581002 400054379 /nfs/dbraw/zinc/05/43/79/400054379.db2.gz DSWQMHIGVBICFI-FHWLQOOXSA-N 2 1 322.493 2.567 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000631605808 400057733 /nfs/dbraw/zinc/05/77/33/400057733.db2.gz GYLKLKDRUXXPGY-MRXNPFEDSA-N 2 1 302.418 2.760 20 0 DFADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000631621797 400059017 /nfs/dbraw/zinc/05/90/17/400059017.db2.gz LDTACJZPJURTPT-HNAYVOBHSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ncccc32)CCCO1 ZINC000631621725 400059063 /nfs/dbraw/zinc/05/90/63/400059063.db2.gz JSTFLYLUDQQZFX-QAPCUYQASA-N 2 1 303.450 2.550 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ncccc32)CCCO1 ZINC000631621725 400059064 /nfs/dbraw/zinc/05/90/64/400059064.db2.gz JSTFLYLUDQQZFX-QAPCUYQASA-N 2 1 303.450 2.550 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)Nc2cc(C[NH+](C)C)ccc2C)CC[N@H+]1C ZINC000631624504 400059329 /nfs/dbraw/zinc/05/93/29/400059329.db2.gz BAYJZSWAEBWZRN-DOTOQJQBSA-N 2 1 303.450 2.725 20 0 DFADMP C[C@H](CCCCO)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664315 400063968 /nfs/dbraw/zinc/06/39/68/400063968.db2.gz NPSKFOOJONCONB-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](O)C(F)F)cc1 ZINC000631697728 400067708 /nfs/dbraw/zinc/06/77/08/400067708.db2.gz OZYILYSGCNNSOI-NHYWBVRUSA-N 2 1 309.360 2.847 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000631793438 400075666 /nfs/dbraw/zinc/07/56/66/400075666.db2.gz GZZJVDUXHUFEKR-DFQSSKMNSA-N 2 1 315.505 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000631793438 400075667 /nfs/dbraw/zinc/07/56/67/400075667.db2.gz GZZJVDUXHUFEKR-DFQSSKMNSA-N 2 1 315.505 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000631793438 400075669 /nfs/dbraw/zinc/07/56/69/400075669.db2.gz GZZJVDUXHUFEKR-DFQSSKMNSA-N 2 1 315.505 2.921 20 0 DFADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827664 400078216 /nfs/dbraw/zinc/07/82/16/400078216.db2.gz UFGVPWYRPBLJQC-HNAYVOBHSA-N 2 1 300.446 2.723 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835090 400078544 /nfs/dbraw/zinc/07/85/44/400078544.db2.gz MHEKWASVQAWJPV-HNNXBMFYSA-N 2 1 319.449 2.617 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631835090 400078545 /nfs/dbraw/zinc/07/85/45/400078545.db2.gz MHEKWASVQAWJPV-HNNXBMFYSA-N 2 1 319.449 2.617 20 0 DFADMP CC[C@@H]1CC[C@H](C)C[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430717117 543346846 /nfs/dbraw/zinc/34/68/46/543346846.db2.gz FMUQBCOFMUVNMY-LZLYRXPVSA-N 2 1 323.525 2.734 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000245590635 146085221 /nfs/dbraw/zinc/08/52/21/146085221.db2.gz GGERRKVELQDFOZ-FUHWJXTLSA-N 2 1 310.482 2.521 20 0 DFADMP COc1cc(OC)cc([C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000245573389 146086004 /nfs/dbraw/zinc/08/60/04/146086004.db2.gz AFKLBBUEGZNNHL-NVXWUHKLSA-N 2 1 318.461 2.977 20 0 DFADMP COc1cc(OC)cc([C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000245573389 146086006 /nfs/dbraw/zinc/08/60/06/146086006.db2.gz AFKLBBUEGZNNHL-NVXWUHKLSA-N 2 1 318.461 2.977 20 0 DFADMP COc1cc(OC)cc([C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000245573389 146086009 /nfs/dbraw/zinc/08/60/09/146086009.db2.gz AFKLBBUEGZNNHL-NVXWUHKLSA-N 2 1 318.461 2.977 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749810 146099191 /nfs/dbraw/zinc/09/91/91/146099191.db2.gz NMZGYQLKCFSDDA-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749810 146099193 /nfs/dbraw/zinc/09/91/93/146099193.db2.gz NMZGYQLKCFSDDA-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749810 146099196 /nfs/dbraw/zinc/09/91/96/146099196.db2.gz NMZGYQLKCFSDDA-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749810 146099199 /nfs/dbraw/zinc/09/91/99/146099199.db2.gz NMZGYQLKCFSDDA-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP C[C@@H](CCCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245745674 146099332 /nfs/dbraw/zinc/09/93/32/146099332.db2.gz SLVJVFQQFYZMGG-KANFNMMFSA-N 2 1 302.462 2.933 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)[C@@H](C)C1 ZINC000245739344 146099980 /nfs/dbraw/zinc/09/99/80/146099980.db2.gz LJWGWSDZTIIHJT-YOEHRIQHSA-N 2 1 313.449 2.634 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)[C@@H](C)C1 ZINC000245739344 146099981 /nfs/dbraw/zinc/09/99/81/146099981.db2.gz LJWGWSDZTIIHJT-YOEHRIQHSA-N 2 1 313.449 2.634 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)[C@@H](C)C1 ZINC000245739344 146099983 /nfs/dbraw/zinc/09/99/83/146099983.db2.gz LJWGWSDZTIIHJT-YOEHRIQHSA-N 2 1 313.449 2.634 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000245772301 146100561 /nfs/dbraw/zinc/10/05/61/146100561.db2.gz SBLSNKRZWMVNRD-LPHOPBHVSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000245772301 146100564 /nfs/dbraw/zinc/10/05/64/146100564.db2.gz SBLSNKRZWMVNRD-LPHOPBHVSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000245772301 146100565 /nfs/dbraw/zinc/10/05/65/146100565.db2.gz SBLSNKRZWMVNRD-LPHOPBHVSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000245781549 146102470 /nfs/dbraw/zinc/10/24/70/146102470.db2.gz UKMLMIJNJQPCIH-WMZOPIPTSA-N 2 1 316.493 2.844 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000245781549 146102474 /nfs/dbraw/zinc/10/24/74/146102474.db2.gz UKMLMIJNJQPCIH-WMZOPIPTSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000245781549 146102478 /nfs/dbraw/zinc/10/24/78/146102478.db2.gz UKMLMIJNJQPCIH-WMZOPIPTSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000245781549 146102482 /nfs/dbraw/zinc/10/24/82/146102482.db2.gz UKMLMIJNJQPCIH-WMZOPIPTSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000245906630 146108819 /nfs/dbraw/zinc/10/88/19/146108819.db2.gz NASWGGMFXUCZGM-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000246068678 146117325 /nfs/dbraw/zinc/11/73/25/146117325.db2.gz CRSITJUPAZEJBV-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000246068678 146117326 /nfs/dbraw/zinc/11/73/26/146117326.db2.gz CRSITJUPAZEJBV-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(OC)c2)[C@@H](C)C1 ZINC000247104348 146161970 /nfs/dbraw/zinc/16/19/70/146161970.db2.gz OUZXXSNKXXTTBD-DAYGRLMNSA-N 2 1 306.450 2.782 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247371670 146167391 /nfs/dbraw/zinc/16/73/91/146167391.db2.gz NWABBTYLJVLQPY-MOPGFXCFSA-N 2 1 319.468 2.989 20 0 DFADMP COC(=O)CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249297033 146192715 /nfs/dbraw/zinc/19/27/15/146192715.db2.gz NDQAWHNRCKIVAC-MNZLEMJZSA-N 2 1 318.461 2.686 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453351254 543371780 /nfs/dbraw/zinc/37/17/80/543371780.db2.gz PPXLMINLXDTNCZ-ATZDWAIDSA-N 2 1 312.461 2.776 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453351254 543371782 /nfs/dbraw/zinc/37/17/82/543371782.db2.gz PPXLMINLXDTNCZ-ATZDWAIDSA-N 2 1 312.461 2.776 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000254916205 146229880 /nfs/dbraw/zinc/22/98/80/146229880.db2.gz MBVFIOHBHMTDOX-QGZUEGPWSA-N 2 1 320.452 2.864 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261584995 146242821 /nfs/dbraw/zinc/24/28/21/146242821.db2.gz STNAMPVNPLOCMM-GUTXKFCHSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261584995 146242824 /nfs/dbraw/zinc/24/28/24/146242824.db2.gz STNAMPVNPLOCMM-GUTXKFCHSA-N 2 1 309.251 2.927 20 0 DFADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261646258 146252094 /nfs/dbraw/zinc/25/20/94/146252094.db2.gz ARJRMRSSVSYSFR-GDBMZVCRSA-N 2 1 304.409 2.720 20 0 DFADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261646258 146252100 /nfs/dbraw/zinc/25/21/00/146252100.db2.gz ARJRMRSSVSYSFR-GDBMZVCRSA-N 2 1 304.409 2.720 20 0 DFADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261646264 146253281 /nfs/dbraw/zinc/25/32/81/146253281.db2.gz ARJRMRSSVSYSFR-ZBFHGGJFSA-N 2 1 304.409 2.720 20 0 DFADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261646264 146253285 /nfs/dbraw/zinc/25/32/85/146253285.db2.gz ARJRMRSSVSYSFR-ZBFHGGJFSA-N 2 1 304.409 2.720 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261691679 146261396 /nfs/dbraw/zinc/26/13/96/146261396.db2.gz JAHXMQWGWOVYRG-SUMDDJOVSA-N 2 1 323.440 2.688 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261691679 146261399 /nfs/dbraw/zinc/26/13/99/146261399.db2.gz JAHXMQWGWOVYRG-SUMDDJOVSA-N 2 1 323.440 2.688 20 0 DFADMP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261707853 146263133 /nfs/dbraw/zinc/26/31/33/146263133.db2.gz DHXNYUFNMVFRIS-OALUTQOASA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261707853 146263137 /nfs/dbraw/zinc/26/31/37/146263137.db2.gz DHXNYUFNMVFRIS-OALUTQOASA-N 2 1 318.461 2.676 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261714575 146263778 /nfs/dbraw/zinc/26/37/78/146263778.db2.gz FARWGQQMIYJBGI-HOJAQTOUSA-N 3 1 315.505 2.971 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261749169 146270403 /nfs/dbraw/zinc/27/04/03/146270403.db2.gz CAZFSBQDRMJDET-LLVKDONJSA-N 2 1 324.350 2.876 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)C[C@@H]21 ZINC000261797758 146278886 /nfs/dbraw/zinc/27/88/86/146278886.db2.gz GRPWJEHTYYKEAC-TUKIKUTGSA-N 2 1 302.447 2.697 20 0 DFADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1ccccc1F ZINC000261818038 146281603 /nfs/dbraw/zinc/28/16/03/146281603.db2.gz WICVESVIVSGIDR-UHFFFAOYSA-N 2 1 319.424 2.618 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC(F)F ZINC000261819799 146282776 /nfs/dbraw/zinc/28/27/76/146282776.db2.gz AOISRCBRMJAKAM-WCQYABFASA-N 2 1 314.376 2.856 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)ccc1OC(F)F ZINC000261819799 146282778 /nfs/dbraw/zinc/28/27/78/146282778.db2.gz AOISRCBRMJAKAM-WCQYABFASA-N 2 1 314.376 2.856 20 0 DFADMP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000261941136 146305420 /nfs/dbraw/zinc/30/54/20/146305420.db2.gz MXSUGMJMRRZWAX-BZUAXINKSA-N 2 1 323.506 2.556 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000261946299 146307470 /nfs/dbraw/zinc/30/74/70/146307470.db2.gz MHRNOWKGAWSSGG-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261971659 146312761 /nfs/dbraw/zinc/31/27/61/146312761.db2.gz QBHQSGVQEOWBFF-HNNXBMFYSA-N 2 1 303.450 2.809 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000261976438 146313615 /nfs/dbraw/zinc/31/36/15/146313615.db2.gz QVHQYIMVMYJOLN-LJQANCHMSA-N 2 1 307.526 2.820 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000261990299 146316789 /nfs/dbraw/zinc/31/67/89/146316789.db2.gz LRPXEBXQFQDJRA-HNNXBMFYSA-N 2 1 313.449 2.650 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262017659 146321956 /nfs/dbraw/zinc/32/19/56/146321956.db2.gz MWTMCPUJKWWJLM-UHFFFAOYSA-N 2 1 314.408 2.791 20 0 DFADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262044760 146327716 /nfs/dbraw/zinc/32/77/16/146327716.db2.gz YYGYEOWTTYHECH-OTWHNJEPSA-N 2 1 318.461 2.721 20 0 DFADMP Clc1oc2ccccc2c1C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000262066552 146329922 /nfs/dbraw/zinc/32/99/22/146329922.db2.gz BGBPDOGNZNBMOF-CYBMUJFWSA-N 2 1 319.836 2.566 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)C[C@@H]21 ZINC000262099676 146333171 /nfs/dbraw/zinc/33/31/71/146333171.db2.gz ISSDVUPJBCMQMZ-VNHYZAJKSA-N 2 1 321.852 2.728 20 0 DFADMP CCC[N@H+](C)[C@H](CNC1=[NH+]CCCN1)c1ccc(Cl)cc1 ZINC000262158461 146340243 /nfs/dbraw/zinc/34/02/43/146340243.db2.gz SFSYHAVUGBJSCW-OAHLLOKOSA-N 2 1 308.857 2.662 20 0 DFADMP CCC[N@@H+](C)[C@H](CNC1=[NH+]CCCN1)c1ccc(Cl)cc1 ZINC000262158461 146340246 /nfs/dbraw/zinc/34/02/46/146340246.db2.gz SFSYHAVUGBJSCW-OAHLLOKOSA-N 2 1 308.857 2.662 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000262367059 146354925 /nfs/dbraw/zinc/35/49/25/146354925.db2.gz XDZNVUFTUIHFRR-YUTCNCBUSA-N 2 1 324.852 2.916 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000262367059 146354927 /nfs/dbraw/zinc/35/49/27/146354927.db2.gz XDZNVUFTUIHFRR-YUTCNCBUSA-N 2 1 324.852 2.916 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC(F)F ZINC000262420277 146357870 /nfs/dbraw/zinc/35/78/70/146357870.db2.gz DYVAVFSOMFMWJD-DGCLKSJQSA-N 2 1 314.376 2.713 20 0 DFADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCSCC1 ZINC000354345738 147001966 /nfs/dbraw/zinc/00/19/66/147001966.db2.gz DGRIHDUMGLHLRQ-OAHLLOKOSA-N 2 1 312.523 2.753 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000354533410 147069628 /nfs/dbraw/zinc/06/96/28/147069628.db2.gz COOBCLWNUYLOEB-OKZBNKHCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000354533410 147069632 /nfs/dbraw/zinc/06/96/32/147069632.db2.gz COOBCLWNUYLOEB-OKZBNKHCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000354533410 147069636 /nfs/dbraw/zinc/06/96/36/147069636.db2.gz COOBCLWNUYLOEB-OKZBNKHCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000354812200 147160752 /nfs/dbraw/zinc/16/07/52/147160752.db2.gz NNIMLGNGQPYZGJ-ZJPYXAASSA-N 2 1 321.509 2.725 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000355216403 147225904 /nfs/dbraw/zinc/22/59/04/147225904.db2.gz FIAWOEVUFLUNPS-VAMGGRTRSA-N 2 1 314.473 2.859 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225432 147230728 /nfs/dbraw/zinc/23/07/28/147230728.db2.gz RTLNTEFTTGSABZ-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225432 147230733 /nfs/dbraw/zinc/23/07/33/147230733.db2.gz RTLNTEFTTGSABZ-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225432 147230737 /nfs/dbraw/zinc/23/07/37/147230737.db2.gz RTLNTEFTTGSABZ-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@H]1c1ccccc1 ZINC000559773586 543444965 /nfs/dbraw/zinc/44/49/65/543444965.db2.gz AEKWUUZBEFQTST-WNHJNPCNSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@H]1c1ccccc1 ZINC000559773586 543444967 /nfs/dbraw/zinc/44/49/67/543444967.db2.gz AEKWUUZBEFQTST-WNHJNPCNSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358002960 148206934 /nfs/dbraw/zinc/20/69/34/148206934.db2.gz HZLOETWZCIEOSZ-YQVWRLOYSA-N 2 1 312.461 2.772 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358002960 148206935 /nfs/dbraw/zinc/20/69/35/148206935.db2.gz HZLOETWZCIEOSZ-YQVWRLOYSA-N 2 1 312.461 2.772 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)NC(C)(C)C ZINC000358027510 148217625 /nfs/dbraw/zinc/21/76/25/148217625.db2.gz RVIFSCUENYCBHX-AWEZNQCLSA-N 2 1 309.498 2.676 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000358080016 148236689 /nfs/dbraw/zinc/23/66/89/148236689.db2.gz FIOMLEDKUSDJLJ-RDBSUJKOSA-N 2 1 321.852 2.518 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000358080016 148236691 /nfs/dbraw/zinc/23/66/91/148236691.db2.gz FIOMLEDKUSDJLJ-RDBSUJKOSA-N 2 1 321.852 2.518 20 0 DFADMP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358253917 148306149 /nfs/dbraw/zinc/30/61/49/148306149.db2.gz PHARZMGGNYVNOD-WDBGBQIDSA-N 2 1 306.494 2.638 20 0 DFADMP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358253917 148306150 /nfs/dbraw/zinc/30/61/50/148306150.db2.gz PHARZMGGNYVNOD-WDBGBQIDSA-N 2 1 306.494 2.638 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000358281864 148317055 /nfs/dbraw/zinc/31/70/55/148317055.db2.gz DCLDKDSDRZATNO-RDJZCZTQSA-N 2 1 318.461 2.710 20 0 DFADMP OCCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000358301088 148319887 /nfs/dbraw/zinc/31/98/87/148319887.db2.gz OULDMNXXHKRZLF-UHFFFAOYSA-N 2 1 316.489 2.836 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517880 148382018 /nfs/dbraw/zinc/38/20/18/148382018.db2.gz PYLZOODJKSCGMZ-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP Fc1ccc(-n2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)cc1 ZINC000358517996 148382427 /nfs/dbraw/zinc/38/24/27/148382427.db2.gz QTAQIZRMVABHEU-UHFFFAOYSA-N 2 1 314.408 2.587 20 0 DFADMP CC(C)CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358865196 148457444 /nfs/dbraw/zinc/45/74/44/148457444.db2.gz NMUQGVKJPMBOPR-IRXDYDNUSA-N 2 1 312.498 2.623 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccc(Cl)cc1 ZINC000359565501 148694774 /nfs/dbraw/zinc/69/47/74/148694774.db2.gz UZMVLIVWHFVELE-MRXNPFEDSA-N 2 1 307.825 2.948 20 0 DFADMP Cn1nccc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350562258 286060097 /nfs/dbraw/zinc/06/00/97/286060097.db2.gz ZOKMYZHXVKEDJD-IEBWSBKVSA-N 2 1 312.461 2.592 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000358301918 286064760 /nfs/dbraw/zinc/06/47/60/286064760.db2.gz PRHGAQNSFBGQRA-BZSNNMDCSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C3C[C@@H](C)O[C@H](C)C3)C2)nc(C)[nH+]1 ZINC000360454922 148851417 /nfs/dbraw/zinc/85/14/17/148851417.db2.gz NDNZYNYNDPGOAM-FMKPAKJESA-N 2 1 318.465 2.608 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000360995259 149002831 /nfs/dbraw/zinc/00/28/31/149002831.db2.gz ICBPTUFAYNCUAN-HLLBOEOZSA-N 2 1 305.441 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000361030787 149012536 /nfs/dbraw/zinc/01/25/36/149012536.db2.gz LQORDIONKPNZNO-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361030787 149012538 /nfs/dbraw/zinc/01/25/38/149012538.db2.gz LQORDIONKPNZNO-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361030787 149012541 /nfs/dbraw/zinc/01/25/41/149012541.db2.gz LQORDIONKPNZNO-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361030787 149012544 /nfs/dbraw/zinc/01/25/44/149012544.db2.gz LQORDIONKPNZNO-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361030787 149012547 /nfs/dbraw/zinc/01/25/47/149012547.db2.gz LQORDIONKPNZNO-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361063698 149021020 /nfs/dbraw/zinc/02/10/20/149021020.db2.gz UQYFQZPSGRFAKY-UHFFFAOYSA-N 2 1 315.465 2.971 20 0 DFADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(F)cc1 ZINC000361145443 149038679 /nfs/dbraw/zinc/03/86/79/149038679.db2.gz SDJQLKYWEPSLPV-KBAYOESNSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(F)cc1 ZINC000361145443 149038680 /nfs/dbraw/zinc/03/86/80/149038680.db2.gz SDJQLKYWEPSLPV-KBAYOESNSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(F)cc1 ZINC000361145443 149038682 /nfs/dbraw/zinc/03/86/82/149038682.db2.gz SDJQLKYWEPSLPV-KBAYOESNSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(F)cc1 ZINC000361145443 149038683 /nfs/dbraw/zinc/03/86/83/149038683.db2.gz SDJQLKYWEPSLPV-KBAYOESNSA-N 2 1 316.420 2.815 20 0 DFADMP CC[C@@]1(C)COCCN1Cc1cn(-c2ccncc2)nc1C ZINC000361165847 149045099 /nfs/dbraw/zinc/04/50/99/149045099.db2.gz LBEJFOIVWHHBRY-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000361227494 149060017 /nfs/dbraw/zinc/06/00/17/149060017.db2.gz GDJOCBNUPABGLH-GOEBONIOSA-N 2 1 320.477 2.911 20 0 DFADMP Cc1cccc(NC2CCN(CC[NH+]3CCC(C)CC3)CC2)[nH+]1 ZINC000361286037 149074916 /nfs/dbraw/zinc/07/49/16/149074916.db2.gz DDKQHZNFHZCOFN-UHFFFAOYSA-N 2 1 316.493 2.998 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361435399 149115180 /nfs/dbraw/zinc/11/51/80/149115180.db2.gz LNABFJPLRMGAIG-VNQPRFMTSA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361435399 149115182 /nfs/dbraw/zinc/11/51/82/149115182.db2.gz LNABFJPLRMGAIG-VNQPRFMTSA-N 2 1 312.404 2.645 20 0 DFADMP CC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC1CCC1 ZINC000361480935 149126770 /nfs/dbraw/zinc/12/67/70/149126770.db2.gz HWZWADDZJYYDTK-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)[C@@H](C)C1 ZINC000361482887 149127629 /nfs/dbraw/zinc/12/76/29/149127629.db2.gz BOGIFNMWQSUXGW-FUHWJXTLSA-N 2 1 312.498 2.530 20 0 DFADMP C[N@@H+](CCNC(=O)CC1(C[NH3+])CCCCC1)C1CCCCC1 ZINC000361608580 149167358 /nfs/dbraw/zinc/16/73/58/149167358.db2.gz GOXRIVGNGHPTIV-UHFFFAOYSA-N 2 1 309.498 2.666 20 0 DFADMP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000361668231 149186648 /nfs/dbraw/zinc/18/66/48/149186648.db2.gz WLFOQYXRCOSUKD-SJORKVTESA-N 2 1 323.481 2.504 20 0 DFADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361668484 149187586 /nfs/dbraw/zinc/18/75/86/149187586.db2.gz ZVBLLFKXKGDGRO-HOTGVXAUSA-N 2 1 320.481 2.632 20 0 DFADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361668484 149187589 /nfs/dbraw/zinc/18/75/89/149187589.db2.gz ZVBLLFKXKGDGRO-HOTGVXAUSA-N 2 1 320.481 2.632 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(C)C)[C@H](C)C1 ZINC000361928918 149257839 /nfs/dbraw/zinc/25/78/39/149257839.db2.gz XRKCPFWHNOAWFM-TWMKSMIVSA-N 2 1 312.498 2.527 20 0 DFADMP Cc1nc(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000362618508 149325826 /nfs/dbraw/zinc/32/58/26/149325826.db2.gz YISVCHHNMRRVEB-WMLDXEAASA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000362618508 149325828 /nfs/dbraw/zinc/32/58/28/149325828.db2.gz YISVCHHNMRRVEB-WMLDXEAASA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000362618508 149325830 /nfs/dbraw/zinc/32/58/30/149325830.db2.gz YISVCHHNMRRVEB-WMLDXEAASA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000362618508 149325833 /nfs/dbraw/zinc/32/58/33/149325833.db2.gz YISVCHHNMRRVEB-WMLDXEAASA-N 2 1 305.491 2.943 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000362803184 149368162 /nfs/dbraw/zinc/36/81/62/149368162.db2.gz SPBPUHFQCQHVNH-DJIMGWMZSA-N 2 1 308.491 2.770 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)cc2)cn1 ZINC000362925518 149399293 /nfs/dbraw/zinc/39/92/93/149399293.db2.gz JVCDUAZNIZOUJG-HOJAQTOUSA-N 2 1 322.456 2.788 20 0 DFADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)cc2)cn1 ZINC000362925518 149399297 /nfs/dbraw/zinc/39/92/97/149399297.db2.gz JVCDUAZNIZOUJG-HOJAQTOUSA-N 2 1 322.456 2.788 20 0 DFADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)cc2)cn1 ZINC000362925518 149399301 /nfs/dbraw/zinc/39/93/01/149399301.db2.gz JVCDUAZNIZOUJG-HOJAQTOUSA-N 2 1 322.456 2.788 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@H]12 ZINC000351480900 286131056 /nfs/dbraw/zinc/13/10/56/286131056.db2.gz WGJADRQAQBNMIC-YSIASYRMSA-N 2 1 323.440 2.830 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351488455 286133136 /nfs/dbraw/zinc/13/31/36/286133136.db2.gz FPNVTJDKKXDJBH-PWNZVWSESA-N 2 1 321.852 2.645 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351488455 286133138 /nfs/dbraw/zinc/13/31/38/286133138.db2.gz FPNVTJDKKXDJBH-PWNZVWSESA-N 2 1 321.852 2.645 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3CCCCCC[C@@H]32)CC1 ZINC000371208184 150004139 /nfs/dbraw/zinc/00/41/39/150004139.db2.gz HBIKFXLIKFTZQE-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295591 150018382 /nfs/dbraw/zinc/01/83/82/150018382.db2.gz SRRJBLBZCWWKMD-IPMKNSEASA-N 2 1 302.462 2.721 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000371331553 150025612 /nfs/dbraw/zinc/02/56/12/150025612.db2.gz IXHKYWNGBKVJSD-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000371449759 150049590 /nfs/dbraw/zinc/04/95/90/150049590.db2.gz XAUJUIISCPFAMS-FJBKBRRZSA-N 2 1 304.438 2.621 20 0 DFADMP CC(C)NC(=O)CC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371498175 150056461 /nfs/dbraw/zinc/05/64/61/150056461.db2.gz WLWAIDGKSOXLST-UHFFFAOYSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000351575780 286158373 /nfs/dbraw/zinc/15/83/73/286158373.db2.gz USQSSULKFZNLKJ-AEFFLSMTSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000351575780 286158375 /nfs/dbraw/zinc/15/83/75/286158375.db2.gz USQSSULKFZNLKJ-AEFFLSMTSA-N 2 1 302.462 2.745 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2OCCO2)cc1F ZINC000372035262 150128317 /nfs/dbraw/zinc/12/83/17/150128317.db2.gz CJNSTCGABWAZPC-GFCCVEGCSA-N 2 1 319.380 2.733 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000372064233 150132511 /nfs/dbraw/zinc/13/25/11/150132511.db2.gz ADAONBXWJAIORQ-AABGKKOBSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000372064233 150132513 /nfs/dbraw/zinc/13/25/13/150132513.db2.gz ADAONBXWJAIORQ-AABGKKOBSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000372313391 150163092 /nfs/dbraw/zinc/16/30/92/150163092.db2.gz LXUKESQBYUTCTE-PBHICJAKSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000372313391 150163096 /nfs/dbraw/zinc/16/30/96/150163096.db2.gz LXUKESQBYUTCTE-PBHICJAKSA-N 2 1 321.371 2.668 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000372423541 150170198 /nfs/dbraw/zinc/17/01/98/150170198.db2.gz YMPCDFVDBAFYEV-INIZCTEOSA-N 2 1 309.498 2.537 20 0 DFADMP C[N@@H+](CCCn1ccnc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372944014 150205243 /nfs/dbraw/zinc/20/52/43/150205243.db2.gz IIKITXISOJKQNC-UHFFFAOYSA-N 2 1 313.449 2.517 20 0 DFADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000372994679 150213984 /nfs/dbraw/zinc/21/39/84/150213984.db2.gz FKSWATHDAISDIG-WNRNVDISSA-N 2 1 324.509 2.813 20 0 DFADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000372994679 150213986 /nfs/dbraw/zinc/21/39/86/150213986.db2.gz FKSWATHDAISDIG-WNRNVDISSA-N 2 1 324.509 2.813 20 0 DFADMP FC(F)(F)c1ncc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000373064604 150224722 /nfs/dbraw/zinc/22/47/22/150224722.db2.gz XQPFOROOJVNJHP-VIFPVBQESA-N 2 1 316.352 2.711 20 0 DFADMP OCCCC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374065702 150300713 /nfs/dbraw/zinc/30/07/13/150300713.db2.gz MOLILFFXLLNSJM-IBGZPJMESA-N 2 1 302.462 2.747 20 0 DFADMP OCCCC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374065702 150300715 /nfs/dbraw/zinc/30/07/15/150300715.db2.gz MOLILFFXLLNSJM-IBGZPJMESA-N 2 1 302.462 2.747 20 0 DFADMP OCCCC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374065702 150300717 /nfs/dbraw/zinc/30/07/17/150300717.db2.gz MOLILFFXLLNSJM-IBGZPJMESA-N 2 1 302.462 2.747 20 0 DFADMP Cc1ccccc1NC(=O)C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074310 150303005 /nfs/dbraw/zinc/30/30/05/150303005.db2.gz JQLBRHCNSBOQKO-UHFFFAOYSA-N 2 1 315.461 2.741 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000374174802 150316421 /nfs/dbraw/zinc/31/64/21/150316421.db2.gz PWWITQFDGNMOOW-UHFFFAOYSA-N 2 1 306.454 2.675 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(C(C)(C)C)no3)C2)CC1 ZINC000374174802 150316424 /nfs/dbraw/zinc/31/64/24/150316424.db2.gz PWWITQFDGNMOOW-UHFFFAOYSA-N 2 1 306.454 2.675 20 0 DFADMP CC[C@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374202796 150320200 /nfs/dbraw/zinc/32/02/00/150320200.db2.gz ZZPKULYQUUEXIB-INIZCTEOSA-N 2 1 323.525 2.687 20 0 DFADMP COc1cc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)ccn1 ZINC000374298727 150339421 /nfs/dbraw/zinc/33/94/21/150339421.db2.gz WHYDJEVQGLATPL-INIZCTEOSA-N 2 1 315.461 2.787 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000374303923 150341096 /nfs/dbraw/zinc/34/10/96/150341096.db2.gz VWINDMXUABAZNN-WMZOPIPTSA-N 2 1 317.477 2.544 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(OC)ccc2F)C1 ZINC000351686402 286193392 /nfs/dbraw/zinc/19/33/92/286193392.db2.gz RRJPKDIMKCZVDU-QGZVFWFLSA-N 2 1 324.440 2.767 20 0 DFADMP Cc1sccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351699653 286197273 /nfs/dbraw/zinc/19/72/73/286197273.db2.gz CJJARDYLIWRLMI-PBHICJAKSA-N 2 1 307.507 2.514 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018056 286271031 /nfs/dbraw/zinc/27/10/31/286271031.db2.gz MZZLCIAAZDTZTM-PKOBYXMFSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018056 286271033 /nfs/dbraw/zinc/27/10/33/286271033.db2.gz MZZLCIAAZDTZTM-PKOBYXMFSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018056 286271035 /nfs/dbraw/zinc/27/10/35/286271035.db2.gz MZZLCIAAZDTZTM-PKOBYXMFSA-N 2 1 300.446 2.940 20 0 DFADMP Cc1ccc([C@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000299443678 292251686 /nfs/dbraw/zinc/25/16/86/292251686.db2.gz ZLSFPKFXMONSHU-SFHVURJKSA-N 2 1 317.477 2.588 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352179575 286313060 /nfs/dbraw/zinc/31/30/60/286313060.db2.gz ZHSIZQOGNRXTOJ-TWMKSMIVSA-N 2 1 311.514 2.636 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352273769 286333837 /nfs/dbraw/zinc/33/38/37/286333837.db2.gz QEPLKIZLASEWCD-INIZCTEOSA-N 2 1 312.461 2.909 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000320860363 286375927 /nfs/dbraw/zinc/37/59/27/286375927.db2.gz XZGSOVQBFHAFSR-YTQUADARSA-N 2 1 316.445 2.599 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000320860363 286375928 /nfs/dbraw/zinc/37/59/28/286375928.db2.gz XZGSOVQBFHAFSR-YTQUADARSA-N 2 1 316.445 2.599 20 0 DFADMP C[C@H]1CCCC[C@@H]1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352510504 286393170 /nfs/dbraw/zinc/39/31/70/286393170.db2.gz NTHSVXWLWBIVEO-RDJZCZTQSA-N 2 1 309.498 2.522 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cc(F)cc(F)c2)s1 ZINC000352774160 286463657 /nfs/dbraw/zinc/46/36/57/286463657.db2.gz WDZMQZBQFVIFGV-UHFFFAOYSA-N 2 1 311.401 2.815 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354874605 300065260 /nfs/dbraw/zinc/06/52/60/300065260.db2.gz ACRZXCRFWGCPSX-HOTGVXAUSA-N 2 1 321.509 2.654 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000182910571 158009940 /nfs/dbraw/zinc/00/99/40/158009940.db2.gz JLSONCLISSYESL-GOSISDBHSA-N 2 1 321.534 2.967 20 0 DFADMP Cc1cc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000182910571 158009942 /nfs/dbraw/zinc/00/99/42/158009942.db2.gz JLSONCLISSYESL-GOSISDBHSA-N 2 1 321.534 2.967 20 0 DFADMP C[N@@H+](CCN1CCC([NH+]2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000185187719 158047876 /nfs/dbraw/zinc/04/78/76/158047876.db2.gz JEDYNNKQLGDPBL-UHFFFAOYSA-N 2 1 319.468 2.818 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(O)(c2ccccc2)CC1 ZINC000185490773 158061037 /nfs/dbraw/zinc/06/10/37/158061037.db2.gz XMOKXHRDLYQBMS-UHFFFAOYSA-N 2 1 313.445 2.955 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246873823 158103250 /nfs/dbraw/zinc/10/32/50/158103250.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246873823 158103253 /nfs/dbraw/zinc/10/32/53/158103253.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246873823 158103256 /nfs/dbraw/zinc/10/32/56/158103256.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 3 1 303.494 2.958 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246873823 158103259 /nfs/dbraw/zinc/10/32/59/158103259.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246873823 158103262 /nfs/dbraw/zinc/10/32/62/158103262.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246873823 158103264 /nfs/dbraw/zinc/10/32/64/158103264.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246873823 158103267 /nfs/dbraw/zinc/10/32/67/158103267.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)[C@@H](C)C1 ZINC000246873823 158103269 /nfs/dbraw/zinc/10/32/69/158103269.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[C@@H](C)C1 ZINC000246873823 158103271 /nfs/dbraw/zinc/10/32/71/158103271.db2.gz CSWCMFWKFPAKHS-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[C@@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000247130464 158119292 /nfs/dbraw/zinc/11/92/92/158119292.db2.gz ASLFRIZBISKIRY-AEFFLSMTSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000247117670 158119408 /nfs/dbraw/zinc/11/94/08/158119408.db2.gz QZMFJDMNKARTOP-HIFRSBDPSA-N 2 1 319.449 2.646 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000247184215 158122219 /nfs/dbraw/zinc/12/22/19/158122219.db2.gz UAVYRYWUCMWJMH-MCIONIFRSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000247184215 158122220 /nfs/dbraw/zinc/12/22/20/158122220.db2.gz UAVYRYWUCMWJMH-MCIONIFRSA-N 2 1 309.404 2.616 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000247237647 158124302 /nfs/dbraw/zinc/12/43/02/158124302.db2.gz YUKJBQGHIYBMKJ-IJEWVQPXSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000247237647 158124303 /nfs/dbraw/zinc/12/43/03/158124303.db2.gz YUKJBQGHIYBMKJ-IJEWVQPXSA-N 2 1 306.450 2.912 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247305255 158127802 /nfs/dbraw/zinc/12/78/02/158127802.db2.gz ZXJHHCZRZOGICO-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247305255 158127803 /nfs/dbraw/zinc/12/78/03/158127803.db2.gz ZXJHHCZRZOGICO-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247305255 158127806 /nfs/dbraw/zinc/12/78/06/158127806.db2.gz ZXJHHCZRZOGICO-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H](C)C1 ZINC000247885227 158152182 /nfs/dbraw/zinc/15/21/82/158152182.db2.gz CVWASGWDYBWCLM-HOTGVXAUSA-N 2 1 300.450 2.746 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000247991367 158156834 /nfs/dbraw/zinc/15/68/34/158156834.db2.gz JLNRNVBVMQOZHZ-GJZGRUSLSA-N 2 1 324.440 2.722 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000248031291 158157639 /nfs/dbraw/zinc/15/76/39/158157639.db2.gz QMLLMNWKHNCOEB-OWCLPIDISA-N 2 1 307.507 2.957 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](Cc1ccccc1)C1CC1 ZINC000248182116 158165145 /nfs/dbraw/zinc/16/51/45/158165145.db2.gz WPNJMTXFDBFPMM-PMACEKPBSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248406454 158173308 /nfs/dbraw/zinc/17/33/08/158173308.db2.gz SJVOZGCFDJLRJE-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248417949 158174012 /nfs/dbraw/zinc/17/40/12/158174012.db2.gz RTVHIXHQPCSCDJ-MANSERQUSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000121976976 298152900 /nfs/dbraw/zinc/15/29/00/298152900.db2.gz QBPHECZQDSFGSZ-WCXIOVBPSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000248755889 158200575 /nfs/dbraw/zinc/20/05/75/158200575.db2.gz CQPBSZMDDBEHBO-VNVJMFPYSA-N 2 1 316.489 2.831 20 0 DFADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCOC1 ZINC000354889286 158242062 /nfs/dbraw/zinc/24/20/62/158242062.db2.gz YWAZAVVHEIUOKZ-KRWDZBQOSA-N 2 1 303.450 2.656 20 0 DFADMP CC[C@@H]1C[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000356987175 158340369 /nfs/dbraw/zinc/34/03/69/158340369.db2.gz JJWGCTPYRSTBCA-DLBZAZTESA-N 2 1 305.466 2.880 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+]([C@H](C)c2ncc(C)o2)CC1 ZINC000357005694 158344705 /nfs/dbraw/zinc/34/47/05/158344705.db2.gz BQIPJEHYKZBDGO-OAHLLOKOSA-N 2 1 309.454 2.867 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000357055436 158358161 /nfs/dbraw/zinc/35/81/61/158358161.db2.gz RJTQBFZVIKZLNU-HOTGVXAUSA-N 2 1 304.434 2.524 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000357055436 158358162 /nfs/dbraw/zinc/35/81/62/158358162.db2.gz RJTQBFZVIKZLNU-HOTGVXAUSA-N 2 1 304.434 2.524 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000358343222 158371261 /nfs/dbraw/zinc/37/12/61/158371261.db2.gz GLYWEVOFTMTVFL-TXPKVOOTSA-N 2 1 316.493 2.537 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)C1 ZINC000358343222 158371263 /nfs/dbraw/zinc/37/12/63/158371263.db2.gz GLYWEVOFTMTVFL-TXPKVOOTSA-N 2 1 316.493 2.537 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(COc2ccccn2)CC1 ZINC000362100742 158483431 /nfs/dbraw/zinc/48/34/31/158483431.db2.gz ZHBFASQNQXWQND-UHFFFAOYSA-N 2 1 314.433 2.768 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000430589440 296797942 /nfs/dbraw/zinc/79/79/42/296797942.db2.gz ANIWBDCONNMVCB-UHFFFAOYSA-N 2 1 312.461 2.580 20 0 DFADMP C[N@@H+](CCCCc1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000131165116 196145518 /nfs/dbraw/zinc/14/55/18/196145518.db2.gz BHFOUDSRFWDXRE-UHFFFAOYSA-N 2 1 303.494 2.579 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H](C)C1 ZINC000131311129 196159435 /nfs/dbraw/zinc/15/94/35/196159435.db2.gz QAJDRPQYVZXXAB-RHSMWYFYSA-N 2 1 303.450 2.690 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H](C)C1 ZINC000131311129 196159436 /nfs/dbraw/zinc/15/94/36/196159436.db2.gz QAJDRPQYVZXXAB-RHSMWYFYSA-N 2 1 303.450 2.690 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000132579177 196267360 /nfs/dbraw/zinc/26/73/60/196267360.db2.gz RRWQKSQWYJXJBJ-RDJZCZTQSA-N 2 1 307.482 2.765 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132914662 196296533 /nfs/dbraw/zinc/29/65/33/196296533.db2.gz ZFFPUFIOUCXBEO-HZPDHXFCSA-N 2 1 318.461 2.847 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000133093197 196310996 /nfs/dbraw/zinc/31/09/96/196310996.db2.gz LLQYDUHVQDMVGE-HUUCEWRRSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000366694719 287288387 /nfs/dbraw/zinc/28/83/87/287288387.db2.gz LBICMJXPXMLRIZ-APWZRJJASA-N 3 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2=CC[N@H+](C)CC2)CC1 ZINC000366694719 287288388 /nfs/dbraw/zinc/28/83/88/287288388.db2.gz LBICMJXPXMLRIZ-APWZRJJASA-N 2 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC2=CC[N@@H+](C)CC2)CC1 ZINC000366694719 287288389 /nfs/dbraw/zinc/28/83/89/287288389.db2.gz LBICMJXPXMLRIZ-APWZRJJASA-N 2 1 305.510 2.881 20 0 DFADMP CCC[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000054806366 425891390 /nfs/dbraw/zinc/89/13/90/425891390.db2.gz SJGYDLLOYLDCHX-INIZCTEOSA-N 2 1 318.465 2.602 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000667518000 543621223 /nfs/dbraw/zinc/62/12/23/543621223.db2.gz LWXZJHYJDBRGPA-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667730961 543668657 /nfs/dbraw/zinc/66/86/57/543668657.db2.gz HWZPJFQAUSQHTM-OAHLLOKOSA-N 2 1 318.465 2.779 20 0 DFADMP COCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CC[C@@H](C)C1 ZINC000668055996 543731339 /nfs/dbraw/zinc/73/13/39/543731339.db2.gz PXASLVTZNVWJQU-NVXWUHKLSA-N 2 1 314.433 2.904 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961947 543713919 /nfs/dbraw/zinc/71/39/19/543713919.db2.gz BYWKFWWZUNOURA-GRGSLBFTSA-N 2 1 300.446 2.531 20 0 DFADMP c1cc(C[N@H+]2CC[C@@H](c3cccnc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668273144 543781420 /nfs/dbraw/zinc/78/14/20/543781420.db2.gz VAVWVAPGPPJPOO-MRXNPFEDSA-N 2 1 305.385 2.652 20 0 DFADMP Cc1cccc2[nH]c(C[N@@H+](C)CCCN3CC[NH+](C)CC3)cc21 ZINC000668163241 543755575 /nfs/dbraw/zinc/75/55/75/543755575.db2.gz XNGDUWCDJHGESE-UHFFFAOYSA-N 2 1 314.477 2.546 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000668172106 543758862 /nfs/dbraw/zinc/75/88/62/543758862.db2.gz DNLKCTSHRZAKFI-BXWFABGCSA-N 2 1 320.477 2.872 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000668172106 543758870 /nfs/dbraw/zinc/75/88/70/543758870.db2.gz DNLKCTSHRZAKFI-BXWFABGCSA-N 2 1 320.477 2.872 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000668172106 543758873 /nfs/dbraw/zinc/75/88/73/543758873.db2.gz DNLKCTSHRZAKFI-BXWFABGCSA-N 2 1 320.477 2.872 20 0 DFADMP C[C@@H](O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000668700320 543848267 /nfs/dbraw/zinc/84/82/67/543848267.db2.gz SXXVBDWHZMUBOY-CCNLRDMRSA-N 2 1 300.446 2.685 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000668741665 543859479 /nfs/dbraw/zinc/85/94/79/543859479.db2.gz XOZGVYAOLVJGHA-LJQANCHMSA-N 2 1 302.462 2.643 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1C ZINC000668741665 543859481 /nfs/dbraw/zinc/85/94/81/543859481.db2.gz XOZGVYAOLVJGHA-LJQANCHMSA-N 2 1 302.462 2.643 20 0 DFADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784681 543866902 /nfs/dbraw/zinc/86/69/02/543866902.db2.gz HNFBHSBZEUMTIR-PKOBYXMFSA-N 2 1 304.478 2.908 20 0 DFADMP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000669934568 544009157 /nfs/dbraw/zinc/00/91/57/544009157.db2.gz BOTZRCSKEQKTPZ-HZPDHXFCSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000669934568 544009162 /nfs/dbraw/zinc/00/91/62/544009162.db2.gz BOTZRCSKEQKTPZ-HZPDHXFCSA-N 2 1 303.450 2.869 20 0 DFADMP CC[N@@H+](CC(=O)Nc1ccccc1Nc1cc[nH+]cc1)C1CC1 ZINC000670378728 544035503 /nfs/dbraw/zinc/03/55/03/544035503.db2.gz JNAMDBHFRBQDIE-UHFFFAOYSA-N 2 1 310.401 2.670 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCOCC2CCC2)cc1 ZINC000671120540 544056466 /nfs/dbraw/zinc/05/64/66/544056466.db2.gz IHUXUNNKAPGSMM-YOFSQIOKSA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCOCC2CCC2)cc1 ZINC000671120540 544056470 /nfs/dbraw/zinc/05/64/70/544056470.db2.gz IHUXUNNKAPGSMM-YOFSQIOKSA-N 2 1 314.473 2.913 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740773 544104556 /nfs/dbraw/zinc/10/45/56/544104556.db2.gz COVJLNGVBWMHNO-NWDGAFQWSA-N 2 1 301.390 2.668 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671743973 544105367 /nfs/dbraw/zinc/10/53/67/544105367.db2.gz KAVARJIRPOMHFU-WSTZPKSXSA-N 2 1 313.489 2.902 20 0 DFADMP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000671742062 544105399 /nfs/dbraw/zinc/10/53/99/544105399.db2.gz WTENCXZTZVTJDU-VQTJNVASSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741613 544105555 /nfs/dbraw/zinc/10/55/55/544105555.db2.gz ZSTGEUKHQZKPHW-IACUBPJLSA-N 2 1 301.390 2.811 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000671746247 544105943 /nfs/dbraw/zinc/10/59/43/544105943.db2.gz ZFLKIUKIOBVMLJ-ZACQAIPSSA-N 2 1 318.461 2.927 20 0 DFADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000674062406 544216759 /nfs/dbraw/zinc/21/67/59/544216759.db2.gz QIAADRFFGCCHMW-OAHLLOKOSA-N 2 1 315.392 2.675 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000297451773 227184335 /nfs/dbraw/zinc/18/43/35/227184335.db2.gz QGZZSYVLVSQHJM-QGZVFWFLSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(OC(F)F)c(OC)c2)C1 ZINC000674877301 544272520 /nfs/dbraw/zinc/27/25/20/544272520.db2.gz OVCJMEBNRPJGGC-WCQYABFASA-N 2 1 314.376 2.726 20 0 DFADMP CC(C)n1ncnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000434472163 296939049 /nfs/dbraw/zinc/93/90/49/296939049.db2.gz XPUGBLCPOFNTJV-UHFFFAOYSA-N 2 1 319.497 2.947 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000675156163 544288348 /nfs/dbraw/zinc/28/83/48/544288348.db2.gz FDRJHHSJAMAWQJ-QGZVFWFLSA-N 2 1 302.466 2.502 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000675156163 544288349 /nfs/dbraw/zinc/28/83/49/544288349.db2.gz FDRJHHSJAMAWQJ-QGZVFWFLSA-N 2 1 302.466 2.502 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000297555509 227296602 /nfs/dbraw/zinc/29/66/02/227296602.db2.gz GUZVOCKCQCRPIH-CVEARBPZSA-N 2 1 323.799 2.875 20 0 DFADMP c1n[nH]cc1CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566248 227310984 /nfs/dbraw/zinc/31/09/84/227310984.db2.gz CMYSXGOYHFODBJ-UXHICEINSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566248 227310989 /nfs/dbraw/zinc/31/09/89/227310989.db2.gz CMYSXGOYHFODBJ-UXHICEINSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000297566248 227310992 /nfs/dbraw/zinc/31/09/92/227310992.db2.gz CMYSXGOYHFODBJ-UXHICEINSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000297566248 227310997 /nfs/dbraw/zinc/31/09/97/227310997.db2.gz CMYSXGOYHFODBJ-UXHICEINSA-N 2 1 324.472 2.939 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)nc1 ZINC000675551820 544319015 /nfs/dbraw/zinc/31/90/15/544319015.db2.gz WXNXFYOREWWPKA-KRWDZBQOSA-N 2 1 311.433 2.555 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000675769523 544335147 /nfs/dbraw/zinc/33/51/47/544335147.db2.gz ZHPYVMKBQDBKTI-QXCFHYIPSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000675769523 544335148 /nfs/dbraw/zinc/33/51/48/544335148.db2.gz ZHPYVMKBQDBKTI-QXCFHYIPSA-N 2 1 302.462 2.933 20 0 DFADMP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000675880956 544341190 /nfs/dbraw/zinc/34/11/90/544341190.db2.gz JHHRKKWAXDSGMB-VQTJNVASSA-N 2 1 314.473 2.777 20 0 DFADMP C[C@@H]1C[C@H](C)CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000676904987 544413884 /nfs/dbraw/zinc/41/38/84/544413884.db2.gz OKWJHKMNHNHXFK-ZHALLVOQSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000676904987 544413886 /nfs/dbraw/zinc/41/38/86/544413886.db2.gz OKWJHKMNHNHXFK-ZHALLVOQSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](C)CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000676904987 544413889 /nfs/dbraw/zinc/41/38/89/544413889.db2.gz OKWJHKMNHNHXFK-ZHALLVOQSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](C)CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000676904987 544413892 /nfs/dbraw/zinc/41/38/92/544413892.db2.gz OKWJHKMNHNHXFK-ZHALLVOQSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(OC)cc(C)[nH+]1 ZINC000677441367 544489333 /nfs/dbraw/zinc/48/93/33/544489333.db2.gz POOLUQNZBAOXTM-DLBZAZTESA-N 2 1 303.450 2.847 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(OC)cc(C)[nH+]1 ZINC000677441367 544489337 /nfs/dbraw/zinc/48/93/37/544489337.db2.gz POOLUQNZBAOXTM-DLBZAZTESA-N 2 1 303.450 2.847 20 0 DFADMP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CC[NH+](CCO)CC1 ZINC000678076359 544596147 /nfs/dbraw/zinc/59/61/47/544596147.db2.gz XYGHVIQRKZZEIE-GOSISDBHSA-N 2 1 302.462 2.727 20 0 DFADMP CC[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000678258764 544635337 /nfs/dbraw/zinc/63/53/37/544635337.db2.gz MQAFYBPPYBCRSO-AZUAARDMSA-N 2 1 315.505 2.892 20 0 DFADMP Brc1ccc2c(c1)[C@@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000678312462 544650487 /nfs/dbraw/zinc/65/04/87/544650487.db2.gz JSGUCNBQUYQQGD-ZENOOKHLSA-N 2 1 321.262 2.978 20 0 DFADMP c1ccc(COc2ccccc2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000678343406 544655705 /nfs/dbraw/zinc/65/57/05/544655705.db2.gz TXLOQTICJHEEGO-OALUTQOASA-N 2 1 308.425 2.917 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000678827602 544731332 /nfs/dbraw/zinc/73/13/32/544731332.db2.gz AVGQNJNFVNLFNM-MRXNPFEDSA-N 2 1 304.478 2.741 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000678840253 544733740 /nfs/dbraw/zinc/73/37/40/544733740.db2.gz PBDUFQQVDOBYPF-ZDUSSCGKSA-N 2 1 302.447 2.801 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000678840253 544733744 /nfs/dbraw/zinc/73/37/44/544733744.db2.gz PBDUFQQVDOBYPF-ZDUSSCGKSA-N 2 1 302.447 2.801 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)[C@@H](C)C1 ZINC000678603059 544700391 /nfs/dbraw/zinc/70/03/91/544700391.db2.gz IUGGCZFXYLAOHA-MLHJIOFPSA-N 2 1 312.498 2.671 20 0 DFADMP Cc1cccc(C)c1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678722197 544712421 /nfs/dbraw/zinc/71/24/21/544712421.db2.gz YOCRCJWKYAXNET-LJQANCHMSA-N 2 1 315.505 2.904 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000678932865 544751524 /nfs/dbraw/zinc/75/15/24/544751524.db2.gz ZONPJHNSZIDIIF-OALUTQOASA-N 2 1 302.462 2.759 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679023739 544769552 /nfs/dbraw/zinc/76/95/52/544769552.db2.gz WLEIWOCENKTBFT-CABCVRRESA-N 2 1 300.450 2.671 20 0 DFADMP C[C@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000299684762 229331343 /nfs/dbraw/zinc/33/13/43/229331343.db2.gz SFQIFRWKFZKPBV-HLPPOEQASA-N 2 1 323.506 2.728 20 0 DFADMP Cc1ccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000679148936 544792280 /nfs/dbraw/zinc/79/22/80/544792280.db2.gz WGFGIRUZRNKDSP-CVEARBPZSA-N 2 1 305.466 2.830 20 0 DFADMP C[C@H](CCCCO)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000679336519 544836523 /nfs/dbraw/zinc/83/65/23/544836523.db2.gz WYOMEOIIPGORKI-IAGOWNOFSA-N 2 1 320.477 2.548 20 0 DFADMP C[C@H](CCCCO)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000679336519 544836526 /nfs/dbraw/zinc/83/65/26/544836526.db2.gz WYOMEOIIPGORKI-IAGOWNOFSA-N 2 1 320.477 2.548 20 0 DFADMP C[C@@H](CCCCO)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000679336518 544836784 /nfs/dbraw/zinc/83/67/84/544836784.db2.gz WYOMEOIIPGORKI-DLBZAZTESA-N 2 1 320.477 2.548 20 0 DFADMP C[C@@H](CCCCO)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000679336518 544836790 /nfs/dbraw/zinc/83/67/90/544836790.db2.gz WYOMEOIIPGORKI-DLBZAZTESA-N 2 1 320.477 2.548 20 0 DFADMP Cc1cc(N2CCC([NH2+]Cc3ccc(O)cc3)CC2)nc(C)[nH+]1 ZINC000679401348 544850246 /nfs/dbraw/zinc/85/02/46/544850246.db2.gz VJBDSSRBZIYRLR-UHFFFAOYSA-N 2 1 312.417 2.558 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000679863915 544918926 /nfs/dbraw/zinc/91/89/26/544918926.db2.gz QJJBYMZTUMCNSC-LMCOJAPRSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000679863915 544918931 /nfs/dbraw/zinc/91/89/31/544918931.db2.gz QJJBYMZTUMCNSC-LMCOJAPRSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000679863915 544918934 /nfs/dbraw/zinc/91/89/34/544918934.db2.gz QJJBYMZTUMCNSC-LMCOJAPRSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000679863915 544918940 /nfs/dbraw/zinc/91/89/40/544918940.db2.gz QJJBYMZTUMCNSC-LMCOJAPRSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000302151288 230126004 /nfs/dbraw/zinc/12/60/04/230126004.db2.gz LSJNXWSIPDTJKK-HOCLYGCPSA-N 2 1 324.428 2.646 20 0 DFADMP C[C@H]1C[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000302151288 230126009 /nfs/dbraw/zinc/12/60/09/230126009.db2.gz LSJNXWSIPDTJKK-HOCLYGCPSA-N 2 1 324.428 2.646 20 0 DFADMP Cc1cc(NCC[NH+]2CCN(Cc3ccccc3)CC2)cc[nH+]1 ZINC000302223110 230178585 /nfs/dbraw/zinc/17/85/85/230178585.db2.gz PESSLZAGRDPMEV-UHFFFAOYSA-N 2 1 310.445 2.620 20 0 DFADMP CC1CCC(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000680376666 545000634 /nfs/dbraw/zinc/00/06/34/545000634.db2.gz UKBNMFIGGYGHGX-FAFZWHIHSA-N 2 1 307.526 2.913 20 0 DFADMP CC1CCC(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)CC1 ZINC000680376667 545000938 /nfs/dbraw/zinc/00/09/38/545000938.db2.gz UKBNMFIGGYGHGX-TVPLGVNVSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000062349862 425900065 /nfs/dbraw/zinc/90/00/65/425900065.db2.gz XDIFZPDBIKRFQB-FUHWJXTLSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000063465155 425900440 /nfs/dbraw/zinc/90/04/40/425900440.db2.gz UHOVIVPHRPHWNB-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccsc1 ZINC000063466991 425900462 /nfs/dbraw/zinc/90/04/62/425900462.db2.gz XZCZYHYDAXLNTI-OAHLLOKOSA-N 2 1 311.495 2.587 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]2C[NH+]2CCCC2)c1C ZINC000066665164 425905864 /nfs/dbraw/zinc/90/58/64/425905864.db2.gz UCRSUQIKXKTSEP-MRXNPFEDSA-N 2 1 303.450 2.767 20 0 DFADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000155781571 425927432 /nfs/dbraw/zinc/92/74/32/425927432.db2.gz IYHIOMJFVVDPIR-CVEARBPZSA-N 2 1 317.477 2.598 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000156382706 425933470 /nfs/dbraw/zinc/93/34/70/425933470.db2.gz YACARTPGUBLAPN-GOSISDBHSA-N 2 1 321.509 2.773 20 0 DFADMP O=C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)NC1CCCC1 ZINC000046065108 425863962 /nfs/dbraw/zinc/86/39/62/425863962.db2.gz WSXFMIIOHZNINP-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2ccc(F)c(Br)c2)CC1 ZINC000037248727 425847678 /nfs/dbraw/zinc/84/76/78/425847678.db2.gz WAFGWZUBANUXCK-UHFFFAOYSA-N 2 1 301.203 2.772 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000037484299 425848120 /nfs/dbraw/zinc/84/81/20/425848120.db2.gz DNELYVIJSFJVMZ-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000037484299 425848121 /nfs/dbraw/zinc/84/81/21/425848121.db2.gz DNELYVIJSFJVMZ-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000044534093 425856751 /nfs/dbraw/zinc/85/67/51/425856751.db2.gz NEYPXMKHBGPBBR-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000044534093 425856752 /nfs/dbraw/zinc/85/67/52/425856752.db2.gz NEYPXMKHBGPBBR-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000044514064 425856878 /nfs/dbraw/zinc/85/68/78/425856878.db2.gz DGPSQMLDHMSFPM-UHFFFAOYSA-N 2 1 306.797 2.561 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000191482255 268001642 /nfs/dbraw/zinc/00/16/42/268001642.db2.gz JZLZWTOOZUPGFO-MRXNPFEDSA-N 2 1 320.481 2.557 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCCN(C(C)C)C1=O ZINC000191482255 268001644 /nfs/dbraw/zinc/00/16/44/268001644.db2.gz JZLZWTOOZUPGFO-MRXNPFEDSA-N 2 1 320.481 2.557 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000192443827 268036190 /nfs/dbraw/zinc/03/61/90/268036190.db2.gz DFFQKBHAWJAMAS-OFLPRAFFSA-N 2 1 308.466 2.572 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000192443827 268036194 /nfs/dbraw/zinc/03/61/94/268036194.db2.gz DFFQKBHAWJAMAS-OFLPRAFFSA-N 2 1 308.466 2.572 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000192447615 268036689 /nfs/dbraw/zinc/03/66/89/268036689.db2.gz HOAWIOJSNXMQNK-GYXIZQIFSA-N 2 1 322.493 2.961 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192666124 268044575 /nfs/dbraw/zinc/04/45/75/268044575.db2.gz IVTVORKWAHWPHQ-KRWDZBQOSA-N 2 1 305.466 2.664 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275685 268063200 /nfs/dbraw/zinc/06/32/00/268063200.db2.gz BDRPFNGYPXQIQH-KRWDZBQOSA-N 2 1 302.462 2.876 20 0 DFADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@H]2C1 ZINC000193646235 268074949 /nfs/dbraw/zinc/07/49/49/268074949.db2.gz GKAQRVBXFFNVTA-CALCHBBNSA-N 2 1 316.445 2.635 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000193646235 268074950 /nfs/dbraw/zinc/07/49/50/268074950.db2.gz GKAQRVBXFFNVTA-CALCHBBNSA-N 2 1 316.445 2.635 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(C(=O)OC(C)(C)C)cc3)C[C@@H]2C1 ZINC000193646235 268074955 /nfs/dbraw/zinc/07/49/55/268074955.db2.gz GKAQRVBXFFNVTA-CALCHBBNSA-N 2 1 316.445 2.635 20 0 DFADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136885 268127775 /nfs/dbraw/zinc/12/77/75/268127775.db2.gz MAQAEAMHKDQRFM-MAUKXSAKSA-N 2 1 312.461 2.901 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000236917139 268152371 /nfs/dbraw/zinc/15/23/71/268152371.db2.gz MAWXEYNJAIHHNT-MRXNPFEDSA-N 2 1 311.514 2.912 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000236911310 268153196 /nfs/dbraw/zinc/15/31/96/268153196.db2.gz DDQQQMYZMYTPJB-ZACQAIPSSA-N 2 1 309.498 2.665 20 0 DFADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268853595 268185837 /nfs/dbraw/zinc/18/58/37/268185837.db2.gz QIQNZJXZPPPASI-FUHWJXTLSA-N 2 1 320.477 2.829 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269005360 268187124 /nfs/dbraw/zinc/18/71/24/268187124.db2.gz QHISOQYXATWSED-LSTDLKDCSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269005360 268187126 /nfs/dbraw/zinc/18/71/26/268187126.db2.gz QHISOQYXATWSED-LSTDLKDCSA-N 2 1 304.478 2.894 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000269132988 268188149 /nfs/dbraw/zinc/18/81/49/268188149.db2.gz NPVFEIVGVNUQMS-HNNXBMFYSA-N 2 1 311.429 2.865 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000269132988 268188151 /nfs/dbraw/zinc/18/81/51/268188151.db2.gz NPVFEIVGVNUQMS-HNNXBMFYSA-N 2 1 311.429 2.865 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270624806 268193327 /nfs/dbraw/zinc/19/33/27/268193327.db2.gz KQGDPNJZVONWES-JKSUJKDBSA-N 2 1 303.406 2.763 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccco1 ZINC000270624806 268193329 /nfs/dbraw/zinc/19/33/29/268193329.db2.gz KQGDPNJZVONWES-JKSUJKDBSA-N 2 1 303.406 2.763 20 0 DFADMP C[NH+](C)CCOc1cc(CNc2cc[nH+]cc2Cl)ccn1 ZINC000270624980 268193974 /nfs/dbraw/zinc/19/39/74/268193974.db2.gz DFLWXTGICJVSEB-UHFFFAOYSA-N 2 1 306.797 2.683 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000270650353 268196401 /nfs/dbraw/zinc/19/64/01/268196401.db2.gz QIBWKKKWDRJBCY-PKOBYXMFSA-N 2 1 312.461 2.692 20 0 DFADMP C[NH+](C)CCOc1cc(CNc2[nH]c3ccccc3[nH+]2)ccn1 ZINC000270729570 268207876 /nfs/dbraw/zinc/20/78/76/268207876.db2.gz QTXXEUCHJZNPPM-UHFFFAOYSA-N 2 1 311.389 2.510 20 0 DFADMP Cn1ccc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000270849578 268225798 /nfs/dbraw/zinc/22/57/98/268225798.db2.gz XMUSEMLMDLSSIA-UHFFFAOYSA-N 2 1 312.461 2.764 20 0 DFADMP Cn1ccc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000270849578 268225801 /nfs/dbraw/zinc/22/58/01/268225801.db2.gz XMUSEMLMDLSSIA-UHFFFAOYSA-N 2 1 312.461 2.764 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000295959421 268298230 /nfs/dbraw/zinc/29/82/30/268298230.db2.gz MXBCHRYQWLTJKJ-AVOUXACISA-N 2 1 304.434 2.980 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000295959421 268298233 /nfs/dbraw/zinc/29/82/33/268298233.db2.gz MXBCHRYQWLTJKJ-AVOUXACISA-N 2 1 304.434 2.980 20 0 DFADMP C[C@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000298083746 268312680 /nfs/dbraw/zinc/31/26/80/268312680.db2.gz MEIYIVKJVPAAQU-XLIONFOSSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CC2)C1 ZINC000298083746 268312681 /nfs/dbraw/zinc/31/26/81/268312681.db2.gz MEIYIVKJVPAAQU-XLIONFOSSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CC2)C1 ZINC000298083746 268312683 /nfs/dbraw/zinc/31/26/83/268312683.db2.gz MEIYIVKJVPAAQU-XLIONFOSSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337741 268339510 /nfs/dbraw/zinc/33/95/10/268339510.db2.gz JSAPJTSAZXDWBC-RISCZKNCSA-N 2 1 302.340 2.816 20 0 DFADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337741 268339511 /nfs/dbraw/zinc/33/95/11/268339511.db2.gz JSAPJTSAZXDWBC-RISCZKNCSA-N 2 1 302.340 2.816 20 0 DFADMP CCC1CCC([N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000315678076 268343897 /nfs/dbraw/zinc/34/38/97/268343897.db2.gz BQGWWQMDRWMJAH-FYOYPEGLSA-N 2 1 304.478 2.818 20 0 DFADMP CCC1CCC([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000315678076 268343899 /nfs/dbraw/zinc/34/38/99/268343899.db2.gz BQGWWQMDRWMJAH-FYOYPEGLSA-N 2 1 304.478 2.818 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000324118524 268350016 /nfs/dbraw/zinc/35/00/16/268350016.db2.gz GIKMFCMWZKPKQO-CALCHBBNSA-N 2 1 315.461 2.680 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000158917171 425949754 /nfs/dbraw/zinc/94/97/54/425949754.db2.gz MWXLBNRUGWIOSI-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(OC)c1 ZINC000158883360 425949922 /nfs/dbraw/zinc/94/99/22/425949922.db2.gz TZVXEMFJOIABKP-HKUYNNGSSA-N 2 1 320.477 2.829 20 0 DFADMP CC(C)NC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158896274 425950220 /nfs/dbraw/zinc/95/02/20/425950220.db2.gz FGHIHSWBVNNGBY-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000158889143 425950370 /nfs/dbraw/zinc/95/03/70/425950370.db2.gz YFZGNUNFOZFGOZ-YOEHRIQHSA-N 2 1 303.450 2.855 20 0 DFADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159032353 425952191 /nfs/dbraw/zinc/95/21/91/425952191.db2.gz OVFURNXWNKZGNE-HOTGVXAUSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158999283 425952541 /nfs/dbraw/zinc/95/25/41/425952541.db2.gz VLXYBOLEWDZUJV-YJLNNSPDSA-N 2 1 320.452 2.741 20 0 DFADMP CCn1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)c1C ZINC000159191925 425956322 /nfs/dbraw/zinc/95/63/22/425956322.db2.gz CWGFDSWASIVNMH-CQSZACIVSA-N 2 1 322.497 2.671 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnc4ccccn34)C2)[nH+]1 ZINC000159249914 425958133 /nfs/dbraw/zinc/95/81/33/425958133.db2.gz UPJZQOPWEXCBSI-INIZCTEOSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)[nH+]1 ZINC000159249914 425958139 /nfs/dbraw/zinc/95/81/39/425958139.db2.gz UPJZQOPWEXCBSI-INIZCTEOSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cccc(C[NH+]2CCC([NH2+][C@@H](C)[C@@H]3CCOC3)CC2)c1 ZINC000159327228 425958254 /nfs/dbraw/zinc/95/82/54/425958254.db2.gz VYPVOVCDIZKXBY-FUHWJXTLSA-N 2 1 302.462 2.974 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174121 425969457 /nfs/dbraw/zinc/96/94/57/425969457.db2.gz GMBUBVOVNHVZNV-QWHCGFSZSA-N 2 1 309.841 2.728 20 0 DFADMP Cc1cc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)on1 ZINC000125502674 425975428 /nfs/dbraw/zinc/97/54/28/425975428.db2.gz HWZMQHIDMCUBBO-CQSZACIVSA-N 2 1 303.406 2.774 20 0 DFADMP COc1ccc([C@H](CO)[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000125516188 425976512 /nfs/dbraw/zinc/97/65/12/425976512.db2.gz DLYXYZUDOFSHAO-SFHVURJKSA-N 2 1 317.433 2.646 20 0 DFADMP COc1ccc([C@H](CO)[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000125516188 425976514 /nfs/dbraw/zinc/97/65/14/425976514.db2.gz DLYXYZUDOFSHAO-SFHVURJKSA-N 2 1 317.433 2.646 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000126910313 426042023 /nfs/dbraw/zinc/04/20/23/426042023.db2.gz QMXOIAJTZGCZAO-YOEHRIQHSA-N 2 1 308.491 2.975 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000126910313 426042024 /nfs/dbraw/zinc/04/20/24/426042024.db2.gz QMXOIAJTZGCZAO-YOEHRIQHSA-N 2 1 308.491 2.975 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161979742 426048322 /nfs/dbraw/zinc/04/83/22/426048322.db2.gz BHSMQNZZOFSJLO-SFHVURJKSA-N 2 1 304.482 2.922 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161979742 426048324 /nfs/dbraw/zinc/04/83/24/426048324.db2.gz BHSMQNZZOFSJLO-SFHVURJKSA-N 3 1 304.482 2.922 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000161979742 426048326 /nfs/dbraw/zinc/04/83/26/426048326.db2.gz BHSMQNZZOFSJLO-SFHVURJKSA-N 3 1 304.482 2.922 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162181143 426055978 /nfs/dbraw/zinc/05/59/78/426055978.db2.gz QVAXSKXQINOXBN-SFHVURJKSA-N 2 1 321.465 2.632 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420234 426063930 /nfs/dbraw/zinc/06/39/30/426063930.db2.gz UWYDRYKFXGDWTN-JFIYKMOQSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420234 426063933 /nfs/dbraw/zinc/06/39/33/426063933.db2.gz UWYDRYKFXGDWTN-JFIYKMOQSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CN(C)C(=O)OC(C)(C)C ZINC000162490174 426066525 /nfs/dbraw/zinc/06/65/25/426066525.db2.gz RMJGOMTYKBOTJP-ILXRZTDVSA-N 2 1 313.486 2.562 20 0 DFADMP CC(C)(C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000108420602 426016999 /nfs/dbraw/zinc/01/69/99/426016999.db2.gz WBBDJYKQPVYBPX-QGZVFWFLSA-N 2 1 317.477 2.520 20 0 DFADMP CCn1cc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cn1 ZINC000128175476 426104559 /nfs/dbraw/zinc/10/45/59/426104559.db2.gz KSUXLPQPDUVCGQ-OAHLLOKOSA-N 2 1 313.449 2.926 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000128156496 426104977 /nfs/dbraw/zinc/10/49/77/426104977.db2.gz LSGVYNFVYCPRRO-ZFWWWQNUSA-N 2 1 323.868 2.578 20 0 DFADMP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000128266623 426110490 /nfs/dbraw/zinc/11/04/90/426110490.db2.gz SFKIFWLRPPXFCT-HFTRVMKXSA-N 2 1 306.450 2.580 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[C@H](C)C1 ZINC000165416467 426123540 /nfs/dbraw/zinc/12/35/40/426123540.db2.gz GELXSTLMFXDLPQ-WWGRRREGSA-N 2 1 304.438 2.558 20 0 DFADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000128570421 426124016 /nfs/dbraw/zinc/12/40/16/426124016.db2.gz TWSXYLILALGJLT-GOSISDBHSA-N 2 1 307.457 2.894 20 0 DFADMP CC(C)[NH2+]CCC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000165997925 426125772 /nfs/dbraw/zinc/12/57/72/426125772.db2.gz GKTJXVAULFLAOP-UHFFFAOYSA-N 2 1 305.466 2.531 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000162854936 426079673 /nfs/dbraw/zinc/07/96/73/426079673.db2.gz LPSMRZKTNYDWBK-QGZVFWFLSA-N 2 1 303.406 2.856 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000162854936 426079676 /nfs/dbraw/zinc/07/96/76/426079676.db2.gz LPSMRZKTNYDWBK-QGZVFWFLSA-N 2 1 303.406 2.856 20 0 DFADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134927701 426201052 /nfs/dbraw/zinc/20/10/52/426201052.db2.gz WOQIXICFMISRIV-RLLQIKCJSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134927701 426201053 /nfs/dbraw/zinc/20/10/53/426201053.db2.gz WOQIXICFMISRIV-RLLQIKCJSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134927701 426201056 /nfs/dbraw/zinc/20/10/56/426201056.db2.gz WOQIXICFMISRIV-RLLQIKCJSA-N 2 1 314.473 2.977 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000134138773 426185389 /nfs/dbraw/zinc/18/53/89/426185389.db2.gz QMLLMNWKHNCOEB-XHSDSOJGSA-N 2 1 307.507 2.957 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C)CC2)CC1 ZINC000116309207 426185773 /nfs/dbraw/zinc/18/57/73/426185773.db2.gz YYSHVIPASDVOOF-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP CCc1noc(C)c1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134895630 426198163 /nfs/dbraw/zinc/19/81/63/426198163.db2.gz WLADVDOYJDAQLB-KDOFPFPSSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1noc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134895630 426198176 /nfs/dbraw/zinc/19/81/76/426198176.db2.gz WLADVDOYJDAQLB-KDOFPFPSSA-N 2 1 303.450 2.994 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000081257308 426221649 /nfs/dbraw/zinc/22/16/49/426221649.db2.gz ZOZNXPQVGKTLPM-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)[NH+](CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000173611557 426244679 /nfs/dbraw/zinc/24/46/79/426244679.db2.gz WDCDDHJBJBYWFV-SFHVURJKSA-N 2 1 319.493 2.914 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000118842422 426248346 /nfs/dbraw/zinc/24/83/46/426248346.db2.gz LLFCEQWENKDDKI-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000118842422 426248348 /nfs/dbraw/zinc/24/83/48/426248348.db2.gz LLFCEQWENKDDKI-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118842422 426248351 /nfs/dbraw/zinc/24/83/51/426248351.db2.gz LLFCEQWENKDDKI-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000118841348 426249360 /nfs/dbraw/zinc/24/93/60/426249360.db2.gz KPFVIUMEGXENNZ-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841348 426249364 /nfs/dbraw/zinc/24/93/64/426249364.db2.gz KPFVIUMEGXENNZ-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841348 426249367 /nfs/dbraw/zinc/24/93/67/426249367.db2.gz KPFVIUMEGXENNZ-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086248440 426257063 /nfs/dbraw/zinc/25/70/63/426257063.db2.gz CZZAGKMBCNMBEK-AWEZNQCLSA-N 2 1 314.433 2.700 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000150824212 426263174 /nfs/dbraw/zinc/26/31/74/426263174.db2.gz GBMDAQHRTMKXCK-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C(=O)N(C)C(C)C)CC1 ZINC000119172966 426267171 /nfs/dbraw/zinc/26/71/71/426267171.db2.gz ZBNXFCSLHGSYJW-UHFFFAOYSA-N 2 1 320.481 2.551 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151286062 426288365 /nfs/dbraw/zinc/28/83/65/426288365.db2.gz JLOFCLYNUSQFRO-AEFFLSMTSA-N 2 1 306.450 2.583 20 0 DFADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000119566962 426297014 /nfs/dbraw/zinc/29/70/14/426297014.db2.gz OUZAJCDLBMRFPK-VQIMIIECSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667504 426300927 /nfs/dbraw/zinc/30/09/27/426300927.db2.gz OOKCQJOXKQSVPZ-NFAWXSAZSA-N 2 1 307.507 2.883 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000119659947 426301400 /nfs/dbraw/zinc/30/14/00/426301400.db2.gz BOYMHQLLGNSAAS-UHFFFAOYSA-N 2 1 319.537 2.818 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000089667048 426301440 /nfs/dbraw/zinc/30/14/40/426301440.db2.gz QBCKWRQHVAFOMT-ZIAGYGMSSA-N 2 1 307.507 2.884 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000089674470 426301814 /nfs/dbraw/zinc/30/18/14/426301814.db2.gz ASDIOSLNOCNBNM-VNHYZAJKSA-N 2 1 318.440 2.573 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000089674464 426301897 /nfs/dbraw/zinc/30/18/97/426301897.db2.gz ASDIOSLNOCNBNM-NFAWXSAZSA-N 2 1 318.440 2.573 20 0 DFADMP Cc1cc2ccccc2nc1N1CCC([N@@H+](C)CCCO)CC1 ZINC000151643145 426305388 /nfs/dbraw/zinc/30/53/88/426305388.db2.gz HEXOKZCGIAVTFT-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120258629 426308719 /nfs/dbraw/zinc/30/87/19/426308719.db2.gz RLYXYXLLTWIUJL-ILXRZTDVSA-N 2 1 313.486 2.562 20 0 DFADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc(Cl)c1OC ZINC000120993911 426318984 /nfs/dbraw/zinc/31/89/84/426318984.db2.gz LHJXEJGXMQAERT-LBPRGKRZSA-N 2 1 312.841 2.741 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc(Cl)c1OC ZINC000120993911 426318986 /nfs/dbraw/zinc/31/89/86/426318986.db2.gz LHJXEJGXMQAERT-LBPRGKRZSA-N 2 1 312.841 2.741 20 0 DFADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc(Cl)c1OC ZINC000120993911 426318988 /nfs/dbraw/zinc/31/89/88/426318988.db2.gz LHJXEJGXMQAERT-LBPRGKRZSA-N 2 1 312.841 2.741 20 0 DFADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc(Cl)c1OC ZINC000120993911 426318990 /nfs/dbraw/zinc/31/89/90/426318990.db2.gz LHJXEJGXMQAERT-LBPRGKRZSA-N 2 1 312.841 2.741 20 0 DFADMP CN(Cc1cn(C)nc1-c1cccs1)C[C@H]1CC[N@@H+](C)C1 ZINC000120988038 426319457 /nfs/dbraw/zinc/31/94/57/426319457.db2.gz FOSMSMFWKXOVBO-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c(-c2cccs2)n1 ZINC000120988038 426319460 /nfs/dbraw/zinc/31/94/60/426319460.db2.gz FOSMSMFWKXOVBO-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c(-c2cccs2)n1 ZINC000120988038 426319462 /nfs/dbraw/zinc/31/94/62/426319462.db2.gz FOSMSMFWKXOVBO-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c(-c2cccs2)n1 ZINC000120988038 426319466 /nfs/dbraw/zinc/31/94/66/426319466.db2.gz FOSMSMFWKXOVBO-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc(OC)c1OC ZINC000121240888 426328166 /nfs/dbraw/zinc/32/81/66/426328166.db2.gz IFOBUGJJJOPAOU-VNHYZAJKSA-N 2 1 322.449 2.531 20 0 DFADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(OC)c1OC ZINC000121240888 426328168 /nfs/dbraw/zinc/32/81/68/426328168.db2.gz IFOBUGJJJOPAOU-VNHYZAJKSA-N 2 1 322.449 2.531 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000090658564 426329178 /nfs/dbraw/zinc/32/91/78/426329178.db2.gz JMQOTWCQEZLPGE-GDBMZVCRSA-N 2 1 314.433 2.599 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090659846 426329741 /nfs/dbraw/zinc/32/97/41/426329741.db2.gz QEIIEVODAHKLJJ-IIAWOOMASA-N 2 1 314.433 2.597 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214965 426282287 /nfs/dbraw/zinc/28/22/87/426282287.db2.gz JQQZQVHHAQELDL-GPMSIDNRSA-N 3 1 316.493 2.616 20 0 DFADMP C[C@@H]1CN(C)[C@H](C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214965 426282289 /nfs/dbraw/zinc/28/22/89/426282289.db2.gz JQQZQVHHAQELDL-GPMSIDNRSA-N 2 1 316.493 2.616 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000089215577 426282443 /nfs/dbraw/zinc/28/24/43/426282443.db2.gz CXQYCXXTEUXKST-VQIMIIECSA-N 3 1 316.493 2.618 20 0 DFADMP CCN1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000089215577 426282444 /nfs/dbraw/zinc/28/24/44/426282444.db2.gz CXQYCXXTEUXKST-VQIMIIECSA-N 2 1 316.493 2.618 20 0 DFADMP C[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175180903 426286223 /nfs/dbraw/zinc/28/62/23/426286223.db2.gz LPOJTNOMVSLQFH-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP OC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153746187 426402913 /nfs/dbraw/zinc/40/29/13/426402913.db2.gz LRDUDVPXYXMGRS-ICSRJNTNSA-N 2 1 316.489 2.834 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000121477265 426345749 /nfs/dbraw/zinc/34/57/49/426345749.db2.gz KGDICSPIJVDRPW-KGLIPLIRSA-N 2 1 315.417 2.950 20 0 DFADMP COCC[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000176219695 426360768 /nfs/dbraw/zinc/36/07/68/426360768.db2.gz JWFVCQNQTMOCGQ-YESZJQIVSA-N 2 1 320.477 2.810 20 0 DFADMP C[NH+]1CCC(NC[C@@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152955237 426362428 /nfs/dbraw/zinc/36/24/28/426362428.db2.gz SFBAHKRBLRTTQZ-LJQANCHMSA-N 2 1 301.478 2.725 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccccn2)CC1 ZINC000122212266 426364514 /nfs/dbraw/zinc/36/45/14/426364514.db2.gz LPUHJHBAKODJDE-UHFFFAOYSA-N 2 1 319.493 2.695 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncs2)[C@H](C)C1 ZINC000122267414 426366972 /nfs/dbraw/zinc/36/69/72/426366972.db2.gz JPHDBJHCBSAABN-ILXRZTDVSA-N 2 1 311.495 2.931 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncs2)[C@H](C)C1 ZINC000122267414 426366975 /nfs/dbraw/zinc/36/69/75/426366975.db2.gz JPHDBJHCBSAABN-ILXRZTDVSA-N 2 1 311.495 2.931 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CSCCc2ccccc21 ZINC000153780024 426405925 /nfs/dbraw/zinc/40/59/25/426405925.db2.gz JSEPHMUQBJUMON-KRWDZBQOSA-N 2 1 308.491 2.575 20 0 DFADMP COC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000153256769 426377942 /nfs/dbraw/zinc/37/79/42/426377942.db2.gz AALORTXPIYBOLN-IBGZPJMESA-N 2 1 302.462 2.708 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153351262 426381319 /nfs/dbraw/zinc/38/13/19/426381319.db2.gz YFDGYMZQNMKEHC-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153351262 426381320 /nfs/dbraw/zinc/38/13/20/426381320.db2.gz YFDGYMZQNMKEHC-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122712879 426389241 /nfs/dbraw/zinc/38/92/41/426389241.db2.gz CTYURTPCQJBXGU-OAHLLOKOSA-N 2 1 309.885 2.970 20 0 DFADMP CCOc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153840221 426408718 /nfs/dbraw/zinc/40/87/18/426408718.db2.gz YUKJBQGHIYBMKJ-OFQRWUPVSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153840221 426408723 /nfs/dbraw/zinc/40/87/23/426408723.db2.gz YUKJBQGHIYBMKJ-OFQRWUPVSA-N 2 1 306.450 2.912 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000154074941 426423263 /nfs/dbraw/zinc/42/32/63/426423263.db2.gz KJCXSWGOAPGEMO-IIDMSEBBSA-N 2 1 306.450 2.530 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@@H]3CCC[C@H](C)C3)C2)CC1 ZINC000154104632 426424373 /nfs/dbraw/zinc/42/43/73/426424373.db2.gz SBDYNSORHMPPGT-GBESFXJTSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)CC[N@@H+]1C ZINC000123671501 426447553 /nfs/dbraw/zinc/44/75/53/426447553.db2.gz OGVBYEKWWNZEHM-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC000123671501 426447557 /nfs/dbraw/zinc/44/75/57/426447557.db2.gz OGVBYEKWWNZEHM-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)CC[NH+]1C ZINC000123671501 426447559 /nfs/dbraw/zinc/44/75/59/426447559.db2.gz OGVBYEKWWNZEHM-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2)CC[NH+]1C ZINC000123671501 426447562 /nfs/dbraw/zinc/44/75/62/426447562.db2.gz OGVBYEKWWNZEHM-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000123437678 426434991 /nfs/dbraw/zinc/43/49/91/426434991.db2.gz SXRDSLPQBKRLDO-UHFFFAOYSA-N 2 1 321.440 2.818 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000123540900 426438764 /nfs/dbraw/zinc/43/87/64/426438764.db2.gz SFQXOJBXEIMRND-CYBMUJFWSA-N 2 1 319.371 2.644 20 0 DFADMP C[C@]1(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC[NH2+]C1 ZINC000340706153 269002313 /nfs/dbraw/zinc/00/23/13/269002313.db2.gz GFSPNZXDDUEVOI-OALUTQOASA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@@H](NCc2c(C3CC3)nc3sccn23)CC[N@H+]1C ZINC000341273823 269057144 /nfs/dbraw/zinc/05/71/44/269057144.db2.gz XVORGDGTEIRTKT-YPMHNXCESA-N 2 1 304.463 2.846 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)CCN1C ZINC000341273823 269057147 /nfs/dbraw/zinc/05/71/47/269057147.db2.gz XVORGDGTEIRTKT-YPMHNXCESA-N 2 1 304.463 2.846 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000341310754 269066455 /nfs/dbraw/zinc/06/64/55/269066455.db2.gz UYPOOXASKMNLIX-GJZGRUSLSA-N 2 1 308.441 2.582 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)C3CC3)cc2)CC1 ZINC000177223679 426456831 /nfs/dbraw/zinc/45/68/31/426456831.db2.gz WMLHGFYDJKWDHM-INIZCTEOSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1)C1CC1 ZINC000154938933 426460135 /nfs/dbraw/zinc/46/01/35/426460135.db2.gz CUQLICKVVWAIGW-LJQANCHMSA-N 2 1 315.461 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)[C@H](C)C1 ZINC000154945048 426460283 /nfs/dbraw/zinc/46/02/83/426460283.db2.gz WUSTUDCSMSBOFL-SJLPKXTDSA-N 2 1 320.477 2.661 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000124320134 426479779 /nfs/dbraw/zinc/47/97/79/426479779.db2.gz RBNOAUKHBIIZGL-OAHLLOKOSA-N 2 1 309.523 2.981 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000098144103 426480449 /nfs/dbraw/zinc/48/04/49/426480449.db2.gz NYMHQTBGORYEAH-FUHWJXTLSA-N 2 1 320.477 2.829 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCCO2 ZINC000124372339 426481999 /nfs/dbraw/zinc/48/19/99/426481999.db2.gz NRIUSKSDUWQELT-GJZGRUSLSA-N 2 1 316.445 2.983 20 0 DFADMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000101726647 426486144 /nfs/dbraw/zinc/48/61/44/426486144.db2.gz KQJWISGTIAJFRZ-UHFFFAOYSA-N 2 1 301.434 2.575 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000272476476 426535386 /nfs/dbraw/zinc/53/53/86/426535386.db2.gz IUOAQDHFVKIXNA-NRSFXHEJSA-N 2 1 302.462 2.789 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000272476476 426535390 /nfs/dbraw/zinc/53/53/90/426535390.db2.gz IUOAQDHFVKIXNA-NRSFXHEJSA-N 2 1 302.462 2.789 20 0 DFADMP C[C@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000186499196 426540114 /nfs/dbraw/zinc/54/01/14/426540114.db2.gz NNLAYFFXDGKXME-BEFAXECRSA-N 2 1 302.462 2.922 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000177937931 426544112 /nfs/dbraw/zinc/54/41/12/426544112.db2.gz NFQPDRICNNWHOL-GOSISDBHSA-N 2 1 302.418 2.593 20 0 DFADMP CN1CCC([N@@H+](CCO)Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000264392316 426545879 /nfs/dbraw/zinc/54/58/79/426545879.db2.gz CIZNJFVTRJOUSL-UHFFFAOYSA-N 2 1 304.478 2.873 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272536762 426552222 /nfs/dbraw/zinc/55/22/22/426552222.db2.gz BXJCVZKVISRJNB-WMZOPIPTSA-N 2 1 304.478 2.895 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1)C(C)C ZINC000186273532 426499183 /nfs/dbraw/zinc/49/91/83/426499183.db2.gz GFYWICMXAAYEBH-UHFFFAOYSA-N 2 1 315.461 2.566 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CC3=CCCOC3)CC2)cc1 ZINC000178159644 426578614 /nfs/dbraw/zinc/57/86/14/426578614.db2.gz YUCPDSXOXHKMMQ-UHFFFAOYSA-N 2 1 300.446 2.630 20 0 DFADMP Cc1ccncc1CCC[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000289071811 426578901 /nfs/dbraw/zinc/57/89/01/426578901.db2.gz AINPSBAMMCVXNU-UHFFFAOYSA-N 2 1 317.477 2.557 20 0 DFADMP Cc1ccnc(OC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)c1 ZINC000273039291 426580078 /nfs/dbraw/zinc/58/00/78/426580078.db2.gz WIRYQCXJJWOPEH-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ccnc(OC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000273039291 426580083 /nfs/dbraw/zinc/58/00/83/426580083.db2.gz WIRYQCXJJWOPEH-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP CCc1ccc(CC[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000265175337 426590807 /nfs/dbraw/zinc/59/08/07/426590807.db2.gz CKCMCNRFPDWTFU-UHFFFAOYSA-N 2 1 304.478 2.570 20 0 DFADMP CCc1ccc(CC[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000265175337 426590812 /nfs/dbraw/zinc/59/08/12/426590812.db2.gz CKCMCNRFPDWTFU-UHFFFAOYSA-N 2 1 304.478 2.570 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000265218284 426598985 /nfs/dbraw/zinc/59/89/85/426598985.db2.gz NTYDAKSUOCDQGR-HIFRSBDPSA-N 2 1 317.437 2.507 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000265218284 426598991 /nfs/dbraw/zinc/59/89/91/426598991.db2.gz NTYDAKSUOCDQGR-HIFRSBDPSA-N 2 1 317.437 2.507 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1 ZINC000178294780 426601817 /nfs/dbraw/zinc/60/18/17/426601817.db2.gz BUSNAQPMZSJVQF-KRWDZBQOSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1 ZINC000178294780 426601821 /nfs/dbraw/zinc/60/18/21/426601821.db2.gz BUSNAQPMZSJVQF-KRWDZBQOSA-N 2 1 312.417 2.603 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289226244 426608459 /nfs/dbraw/zinc/60/84/59/426608459.db2.gz JSQLWNAXTKHKBM-NVXWUHKLSA-N 2 1 318.461 2.686 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289226242 426609026 /nfs/dbraw/zinc/60/90/26/426609026.db2.gz JSQLWNAXTKHKBM-DOTOQJQBSA-N 2 1 318.461 2.686 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273198753 426612446 /nfs/dbraw/zinc/61/24/46/426612446.db2.gz IIAOWAKCNOFEGH-WBVHZDCISA-N 2 1 317.477 2.544 20 0 DFADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280627120 426618933 /nfs/dbraw/zinc/61/89/33/426618933.db2.gz YPMXPTSHTGKRQX-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280627120 426618940 /nfs/dbraw/zinc/61/89/40/426618940.db2.gz YPMXPTSHTGKRQX-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C[C@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280627120 426618943 /nfs/dbraw/zinc/61/89/43/426618943.db2.gz YPMXPTSHTGKRQX-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP CC(C)Oc1cccc([C@H](C)NC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289347376 426631860 /nfs/dbraw/zinc/63/18/60/426631860.db2.gz KFJILHJONLFWBQ-WMLDXEAASA-N 2 1 306.450 2.580 20 0 DFADMP CC(C)Oc1cccc([C@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)c1 ZINC000289347376 426631865 /nfs/dbraw/zinc/63/18/65/426631865.db2.gz KFJILHJONLFWBQ-WMLDXEAASA-N 2 1 306.450 2.580 20 0 DFADMP CC(C)Oc1cccc([C@@H](C)NC[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289347374 426632352 /nfs/dbraw/zinc/63/23/52/426632352.db2.gz KFJILHJONLFWBQ-RHSMWYFYSA-N 2 1 306.450 2.580 20 0 DFADMP CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@@H](O)CN(C)C2CC2)c1 ZINC000289347374 426632359 /nfs/dbraw/zinc/63/23/59/426632359.db2.gz KFJILHJONLFWBQ-RHSMWYFYSA-N 2 1 306.450 2.580 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000178741387 426686271 /nfs/dbraw/zinc/68/62/71/426686271.db2.gz NTVQOUAGZQGSPI-NZSAHSFTSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000178741387 426686275 /nfs/dbraw/zinc/68/62/75/426686275.db2.gz NTVQOUAGZQGSPI-NZSAHSFTSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000178741387 426686281 /nfs/dbraw/zinc/68/62/81/426686281.db2.gz NTVQOUAGZQGSPI-NZSAHSFTSA-N 2 1 313.489 2.866 20 0 DFADMP CC1(C)C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000178522140 426648938 /nfs/dbraw/zinc/64/89/38/426648938.db2.gz IGJULLBPKGOLAR-GOSISDBHSA-N 2 1 302.462 2.845 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCCO3)CC2)cc1 ZINC000236593756 426665168 /nfs/dbraw/zinc/66/51/68/426665168.db2.gz PJGCIEZEJLQDEB-LJQANCHMSA-N 2 1 302.462 2.852 20 0 DFADMP Cc1cccc(C)c1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000265640707 426667609 /nfs/dbraw/zinc/66/76/09/426667609.db2.gz JSANHEIEWQTVNH-QGZVFWFLSA-N 2 1 304.478 2.828 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236684065 426675215 /nfs/dbraw/zinc/67/52/15/426675215.db2.gz NXMFRCLKUJVQSR-UHFFFAOYSA-N 2 1 319.493 2.908 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236722283 426681105 /nfs/dbraw/zinc/68/11/05/426681105.db2.gz ZDRYXNXTJVGFRN-ARFHVFGLSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236722283 426681108 /nfs/dbraw/zinc/68/11/08/426681108.db2.gz ZDRYXNXTJVGFRN-ARFHVFGLSA-N 2 1 323.868 2.575 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)[C@H](C)C1 ZINC000178717966 426682084 /nfs/dbraw/zinc/68/20/84/426682084.db2.gz QJBKGUAUFWBEAE-RVKKMQEKSA-N 2 1 322.497 2.516 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cn(C)nc2C)[C@H](C)C1 ZINC000178717966 426682088 /nfs/dbraw/zinc/68/20/88/426682088.db2.gz QJBKGUAUFWBEAE-RVKKMQEKSA-N 2 1 322.497 2.516 20 0 DFADMP Cc1nc(C)c(C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)s1 ZINC000178426654 426625946 /nfs/dbraw/zinc/62/59/46/426625946.db2.gz DSHZWKQSUPQPMS-CQSZACIVSA-N 2 1 304.463 2.948 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000274434233 426767791 /nfs/dbraw/zinc/76/77/91/426767791.db2.gz WFUQTQVIGPYKOG-XKQJLSEDSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000274434233 426767795 /nfs/dbraw/zinc/76/77/95/426767795.db2.gz WFUQTQVIGPYKOG-XKQJLSEDSA-N 2 1 304.434 2.839 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000274451363 426772501 /nfs/dbraw/zinc/77/25/01/426772501.db2.gz FIMJICMXRMHWCS-ZDUSSCGKSA-N 2 1 309.364 2.527 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC000274451363 426772506 /nfs/dbraw/zinc/77/25/06/426772506.db2.gz FIMJICMXRMHWCS-ZDUSSCGKSA-N 2 1 309.364 2.527 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(F)c1F ZINC000245901710 426781304 /nfs/dbraw/zinc/78/13/04/426781304.db2.gz NYZZOWZQTWQYMX-KGLIPLIRSA-N 2 1 312.404 2.852 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)N1CCC[C@H]1Cn1cc[nH+]c1C ZINC000245930459 426784233 /nfs/dbraw/zinc/78/42/33/426784233.db2.gz JBIBAJWAMKNWPA-DLBZAZTESA-N 2 1 313.401 2.570 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC1CC[NH2+]CC1 ZINC000178959323 426725861 /nfs/dbraw/zinc/72/58/61/426725861.db2.gz IPPXWXYDWXHFEA-UHFFFAOYSA-N 2 1 312.461 2.941 20 0 DFADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178966254 426726836 /nfs/dbraw/zinc/72/68/36/426726836.db2.gz BTKZZPIZMAWSPC-IBGZPJMESA-N 2 1 318.461 2.676 20 0 DFADMP CCn1nc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c2ccccc21 ZINC000290309987 426739652 /nfs/dbraw/zinc/73/96/52/426739652.db2.gz CAIGHXXPRHSWET-CRAIPNDOSA-N 2 1 312.461 2.972 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccnc1 ZINC000290328720 426743249 /nfs/dbraw/zinc/74/32/49/426743249.db2.gz DMTAXYLWTDJBMJ-UHFFFAOYSA-N 2 1 301.438 2.635 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccnc1 ZINC000290328720 426743255 /nfs/dbraw/zinc/74/32/55/426743255.db2.gz DMTAXYLWTDJBMJ-UHFFFAOYSA-N 2 1 301.438 2.635 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC ZINC000290345338 426746683 /nfs/dbraw/zinc/74/66/83/426746683.db2.gz FUAKSNYJHMDYGX-INIZCTEOSA-N 2 1 318.461 2.868 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290348743 426747674 /nfs/dbraw/zinc/74/76/74/426747674.db2.gz FYLYNTHGLIOGPJ-QGZVFWFLSA-N 2 1 318.461 2.868 20 0 DFADMP COc1cccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000179176201 426764445 /nfs/dbraw/zinc/76/44/45/426764445.db2.gz NHECKXROPHMXKJ-PBHICJAKSA-N 2 1 301.434 2.539 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCC2CCCCC2)[C@@H](C)C1 ZINC000246401567 426830161 /nfs/dbraw/zinc/83/01/61/426830161.db2.gz ANHRHCKKKWJJAL-WMZOPIPTSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000180018443 426830462 /nfs/dbraw/zinc/83/04/62/426830462.db2.gz FXXKUNFKFZSSHF-XLMAVXFVSA-N 2 1 301.478 2.928 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000180094425 426836220 /nfs/dbraw/zinc/83/62/20/426836220.db2.gz WMSAMICNKDIDNA-NVXWUHKLSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000180094425 426836223 /nfs/dbraw/zinc/83/62/23/426836223.db2.gz WMSAMICNKDIDNA-NVXWUHKLSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1O ZINC000180094425 426836226 /nfs/dbraw/zinc/83/62/26/426836226.db2.gz WMSAMICNKDIDNA-NVXWUHKLSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1O ZINC000180094425 426836232 /nfs/dbraw/zinc/83/62/32/426836232.db2.gz WMSAMICNKDIDNA-NVXWUHKLSA-N 2 1 316.445 2.850 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000246501900 426839301 /nfs/dbraw/zinc/83/93/01/426839301.db2.gz QAYNOXULCGSAAW-HOCLYGCPSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282163642 426843089 /nfs/dbraw/zinc/84/30/89/426843089.db2.gz DNOAVYQKRGZLKC-MRXNPFEDSA-N 2 1 321.484 2.762 20 0 DFADMP Cc1cc(N(C)[C@H]2CC[N@H+](C)C[C@H]2C)nc(-c2ccncc2)n1 ZINC000246622823 426851675 /nfs/dbraw/zinc/85/16/75/426851675.db2.gz MFEMWDRYDLQPOI-CJNGLKHVSA-N 2 1 311.433 2.623 20 0 DFADMP C[N@H+](CCOCC(F)(F)C(F)F)CC[C@H]1CCCC[NH+]1C ZINC000189433462 426855362 /nfs/dbraw/zinc/85/53/62/426855362.db2.gz RXHNYUXWZLOLHY-GFCCVEGCSA-N 2 1 314.367 2.710 20 0 DFADMP C[N@@H+](CCOCC(F)(F)C(F)F)CC[C@H]1CCCC[NH+]1C ZINC000189433462 426855366 /nfs/dbraw/zinc/85/53/66/426855366.db2.gz RXHNYUXWZLOLHY-GFCCVEGCSA-N 2 1 314.367 2.710 20 0 DFADMP C[NH+](CCOCC(F)(F)C(F)F)CC[C@H]1CCCC[N@@H+]1C ZINC000189433462 426855368 /nfs/dbraw/zinc/85/53/68/426855368.db2.gz RXHNYUXWZLOLHY-GFCCVEGCSA-N 2 1 314.367 2.710 20 0 DFADMP C[NH+](CCOCC(F)(F)C(F)F)CC[C@H]1CCCC[N@H+]1C ZINC000189433462 426855373 /nfs/dbraw/zinc/85/53/73/426855373.db2.gz RXHNYUXWZLOLHY-GFCCVEGCSA-N 2 1 314.367 2.710 20 0 DFADMP C[C@H](NCC(C)(C)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274888845 426856148 /nfs/dbraw/zinc/85/61/48/426856148.db2.gz JAMFBFSMAYBCDZ-FUHWJXTLSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274888845 426856154 /nfs/dbraw/zinc/85/61/54/426856154.db2.gz JAMFBFSMAYBCDZ-FUHWJXTLSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274888845 426856160 /nfs/dbraw/zinc/85/61/60/426856160.db2.gz JAMFBFSMAYBCDZ-FUHWJXTLSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478761 426793063 /nfs/dbraw/zinc/79/30/63/426793063.db2.gz ODYGXZAEVYLAML-IJEWVQPXSA-N 2 1 314.433 2.912 20 0 DFADMP C[C@H](NC[C@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309876672 426918572 /nfs/dbraw/zinc/91/85/72/426918572.db2.gz UILHKKVZRMJCFC-YTQUADARSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H](N(C)CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)CC[N@H+]1C ZINC000246728886 426861471 /nfs/dbraw/zinc/86/14/71/426861471.db2.gz MACGGTLWRREXJN-XDNAFOTISA-N 2 1 321.509 2.582 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000275426903 426864616 /nfs/dbraw/zinc/86/46/16/426864616.db2.gz FMHVVIXZTMNTIP-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000275426903 426864621 /nfs/dbraw/zinc/86/46/21/426864621.db2.gz FMHVVIXZTMNTIP-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000275426903 426864625 /nfs/dbraw/zinc/86/46/25/426864625.db2.gz FMHVVIXZTMNTIP-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000275426903 426864631 /nfs/dbraw/zinc/86/46/31/426864631.db2.gz FMHVVIXZTMNTIP-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](CCOCC(F)F)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482850 426864984 /nfs/dbraw/zinc/86/49/84/426864984.db2.gz ZQYDJROIEIIJGV-MRXNPFEDSA-N 2 1 312.404 2.722 20 0 DFADMP C[NH+](CCOCC(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189482850 426864995 /nfs/dbraw/zinc/86/49/95/426864995.db2.gz ZQYDJROIEIIJGV-MRXNPFEDSA-N 2 1 312.404 2.722 20 0 DFADMP C[NH+](CCOCC(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189482850 426864999 /nfs/dbraw/zinc/86/49/99/426864999.db2.gz ZQYDJROIEIIJGV-MRXNPFEDSA-N 2 1 312.404 2.722 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)O[C@H](C)C2 ZINC000246920147 426879856 /nfs/dbraw/zinc/87/98/56/426879856.db2.gz GROABNQIGXYUOE-UMPJEAMMSA-N 2 1 318.461 2.837 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)O[C@H](C)C2 ZINC000246920147 426879865 /nfs/dbraw/zinc/87/98/65/426879865.db2.gz GROABNQIGXYUOE-UMPJEAMMSA-N 2 1 318.461 2.837 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246956274 426883451 /nfs/dbraw/zinc/88/34/51/426883451.db2.gz IOQJAYNNKZPYBS-LPHOPBHVSA-N 2 1 320.477 2.922 20 0 DFADMP Cc1cc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc(C)c1F ZINC000305137062 426884869 /nfs/dbraw/zinc/88/48/69/426884869.db2.gz OUYXZOJQYLOTAG-HNNXBMFYSA-N 2 1 308.441 2.940 20 0 DFADMP C[C@@]1(CO)CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305147754 426886503 /nfs/dbraw/zinc/88/65/03/426886503.db2.gz NWVWIZIOBFVAOE-UXHICEINSA-N 2 1 316.489 2.834 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCSc3ccccc32)CC1(C)C ZINC000282387812 426898545 /nfs/dbraw/zinc/89/85/45/426898545.db2.gz RAMLCLNHULMFEW-MRXNPFEDSA-N 2 1 319.518 2.839 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000282404552 426905035 /nfs/dbraw/zinc/90/50/35/426905035.db2.gz RVHXULNMQMSWAL-INIZCTEOSA-N 2 1 319.493 2.680 20 0 DFADMP C[C@@H](c1cccnc1)N1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000268071362 426906728 /nfs/dbraw/zinc/90/67/28/426906728.db2.gz CKZXMHDDMYXICD-PKOBYXMFSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H](c1cccnc1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000268071362 426906732 /nfs/dbraw/zinc/90/67/32/426906732.db2.gz CKZXMHDDMYXICD-PKOBYXMFSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H](c1cccnc1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000268071362 426906739 /nfs/dbraw/zinc/90/67/39/426906739.db2.gz CKZXMHDDMYXICD-PKOBYXMFSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000305807289 426913574 /nfs/dbraw/zinc/91/35/74/426913574.db2.gz ZPQQXDQNEKCPSQ-MDASCCDHSA-N 2 1 300.446 2.593 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000305807289 426913582 /nfs/dbraw/zinc/91/35/82/426913582.db2.gz ZPQQXDQNEKCPSQ-MDASCCDHSA-N 2 1 300.446 2.593 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1[NH3+] ZINC000316909266 426952907 /nfs/dbraw/zinc/95/29/07/426952907.db2.gz VHBCBNNTYYNLLS-OLZOCXBDSA-N 2 1 320.462 2.790 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000317064268 426954405 /nfs/dbraw/zinc/95/44/05/426954405.db2.gz YRSNSZRSAYXDAA-FGTMMUONSA-N 2 1 300.446 2.769 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000319321631 426962628 /nfs/dbraw/zinc/96/26/28/426962628.db2.gz ZSLQIGGOGJAIGZ-WFASDCNBSA-N 2 1 324.852 2.931 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000319321631 426962633 /nfs/dbraw/zinc/96/26/33/426962633.db2.gz ZSLQIGGOGJAIGZ-WFASDCNBSA-N 2 1 324.852 2.931 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402546 426994725 /nfs/dbraw/zinc/99/47/25/426994725.db2.gz NHPLMEHOGVAICF-ULQDDVLXSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055800 426979268 /nfs/dbraw/zinc/97/92/68/426979268.db2.gz XGYYKEZTZJBEKD-XYPHTWIQSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055800 426979274 /nfs/dbraw/zinc/97/92/74/426979274.db2.gz XGYYKEZTZJBEKD-XYPHTWIQSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055800 426979280 /nfs/dbraw/zinc/97/92/80/426979280.db2.gz XGYYKEZTZJBEKD-XYPHTWIQSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055800 426979286 /nfs/dbraw/zinc/97/92/86/426979286.db2.gz XGYYKEZTZJBEKD-XYPHTWIQSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055800 426979291 /nfs/dbraw/zinc/97/92/91/426979291.db2.gz XGYYKEZTZJBEKD-XYPHTWIQSA-N 2 1 308.853 2.790 20 0 DFADMP OCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000189935999 426985590 /nfs/dbraw/zinc/98/55/90/426985590.db2.gz LVSOEILTWAZYRM-PKOBYXMFSA-N 2 1 302.462 2.792 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000248199649 426985986 /nfs/dbraw/zinc/98/59/86/426985986.db2.gz YFNVEPIXJAMATC-SCTDSRPQSA-N 2 1 301.478 2.975 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181851183 426986669 /nfs/dbraw/zinc/98/66/69/426986669.db2.gz XDVGSOJGWMJJPP-KSZLIROESA-N 2 1 324.509 2.669 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000314821095 426931835 /nfs/dbraw/zinc/93/18/35/426931835.db2.gz ZHGFFIJFNBHSGU-CRAIPNDOSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000314821095 426931843 /nfs/dbraw/zinc/93/18/43/426931843.db2.gz ZHGFFIJFNBHSGU-CRAIPNDOSA-N 2 1 304.434 2.668 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000268172455 426936998 /nfs/dbraw/zinc/93/69/98/426936998.db2.gz VGXPJWCUMPPMFD-CQSZACIVSA-N 2 1 323.506 2.614 20 0 DFADMP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CCCC1 ZINC000275877203 426940764 /nfs/dbraw/zinc/94/07/64/426940764.db2.gz ORKFFRZDHNSVBD-KRWDZBQOSA-N 2 1 314.433 2.871 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCCC2)s1 ZINC000181372582 426941292 /nfs/dbraw/zinc/94/12/92/426941292.db2.gz YWPNXOGZKBPKEI-ZDUSSCGKSA-N 2 1 311.495 2.777 20 0 DFADMP COc1ccc2nc(C[NH2+]CCCn3cc[nH+]c3C)sc2c1 ZINC000337951596 427057382 /nfs/dbraw/zinc/05/73/82/427057382.db2.gz SVRBIBKVNWXHOK-UHFFFAOYSA-N 2 1 316.430 2.990 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000190266771 427058768 /nfs/dbraw/zinc/05/87/68/427058768.db2.gz KULKRIUDHVOBSM-QGZVFWFLSA-N 2 1 319.449 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000190266771 427058775 /nfs/dbraw/zinc/05/87/75/427058775.db2.gz KULKRIUDHVOBSM-QGZVFWFLSA-N 2 1 319.449 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000190266771 427058781 /nfs/dbraw/zinc/05/87/81/427058781.db2.gz KULKRIUDHVOBSM-QGZVFWFLSA-N 2 1 319.449 2.589 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000181947695 427000395 /nfs/dbraw/zinc/00/03/95/427000395.db2.gz NWFGGHHXUNLPBK-SJORKVTESA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cncn2)cc1 ZINC000295948289 427024006 /nfs/dbraw/zinc/02/40/06/427024006.db2.gz LZBRTZDPPNXRTM-PNFOFYCQSA-N 2 1 311.433 2.543 20 0 DFADMP OC1CC[NH+](CCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000291916799 427024875 /nfs/dbraw/zinc/02/48/75/427024875.db2.gz KQFXGLJPAYBMBE-UHFFFAOYSA-N 2 1 302.462 2.502 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@@H]1C1CCC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000248727606 427033684 /nfs/dbraw/zinc/03/36/84/427033684.db2.gz IYQQASCIZYTHMT-REPLKXPHSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CCC[C@H]1C1CCC1)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000248727606 427033691 /nfs/dbraw/zinc/03/36/91/427033691.db2.gz IYQQASCIZYTHMT-REPLKXPHSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CCC[C@H]1C1CCC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000248727606 427033697 /nfs/dbraw/zinc/03/36/97/427033697.db2.gz IYQQASCIZYTHMT-REPLKXPHSA-N 2 1 306.494 2.876 20 0 DFADMP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182235184 427033767 /nfs/dbraw/zinc/03/37/67/427033767.db2.gz VEWLUFGMIITVII-VQIMIIECSA-N 2 1 320.477 2.548 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCCc2nc(Cl)ccc21)CN1CCCCC1 ZINC000296001646 427041535 /nfs/dbraw/zinc/04/15/35/427041535.db2.gz OHEJLSNQVMPWIB-UKRRQHHQSA-N 2 1 323.868 2.549 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2([NH3+])CCC2)c1 ZINC000296005784 427044676 /nfs/dbraw/zinc/04/46/76/427044676.db2.gz LGTVVDOJVOEDEA-UHFFFAOYSA-N 2 1 312.417 2.875 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](CNc2ccccn2)C1 ZINC000268545124 427049429 /nfs/dbraw/zinc/04/94/29/427049429.db2.gz LYQOLZHNHOIXEJ-IRXDYDNUSA-N 2 1 302.466 2.690 20 0 DFADMP CN1CCCC[C@H]1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000268545124 427049449 /nfs/dbraw/zinc/04/94/49/427049449.db2.gz LYQOLZHNHOIXEJ-IRXDYDNUSA-N 3 1 302.466 2.690 20 0 DFADMP CN1CCCC[C@H]1CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000268545124 427049456 /nfs/dbraw/zinc/04/94/56/427049456.db2.gz LYQOLZHNHOIXEJ-IRXDYDNUSA-N 3 1 302.466 2.690 20 0 DFADMP C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248839217 427050720 /nfs/dbraw/zinc/05/07/20/427050720.db2.gz PUPZGXHCTZFKON-BQFCYCMXSA-N 2 1 310.482 2.772 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2c(s1)C[C@@H](C)CC2 ZINC000337944560 427051861 /nfs/dbraw/zinc/05/18/61/427051861.db2.gz BVIGHDDFGDCWNK-LBPRGKRZSA-N 2 1 304.463 2.953 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337989182 427077255 /nfs/dbraw/zinc/07/72/55/427077255.db2.gz LGQCLGGZLPKILB-ROUUACIJSA-N 2 1 313.505 2.912 20 0 DFADMP CC[C@H](NC1CC[NH+](Cc2ccccn2)CC1)c1nccn1C ZINC000182486475 427083248 /nfs/dbraw/zinc/08/32/48/427083248.db2.gz QCWMSLMHSOSVAO-KRWDZBQOSA-N 2 1 313.449 2.520 20 0 DFADMP C[C@@H]1CSCC[NH+](CCC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000249088355 427086469 /nfs/dbraw/zinc/08/64/69/427086469.db2.gz SMEHGVYHOVCUQH-GJZGRUSLSA-N 2 1 302.553 2.746 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000249101346 427088670 /nfs/dbraw/zinc/08/86/70/427088670.db2.gz UUCLUUFYVSHAHB-JKSUJKDBSA-N 2 1 300.512 2.705 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000292107180 427091945 /nfs/dbraw/zinc/09/19/45/427091945.db2.gz OZTUUZGYGUOHAC-SFHVURJKSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@H]2CCCF)CCCO1 ZINC000338011454 427092670 /nfs/dbraw/zinc/09/26/70/427092670.db2.gz KHTTXCQZSONHAQ-IKGGRYGDSA-N 2 1 300.462 2.995 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@H]2CCCF)CCCO1 ZINC000338011454 427092677 /nfs/dbraw/zinc/09/26/77/427092677.db2.gz KHTTXCQZSONHAQ-IKGGRYGDSA-N 2 1 300.462 2.995 20 0 DFADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000249190474 427094747 /nfs/dbraw/zinc/09/47/47/427094747.db2.gz NSKWVSUFFFWJOJ-SJLPKXTDSA-N 2 1 312.498 2.530 20 0 DFADMP CC[NH+](CC)CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268710201 427098503 /nfs/dbraw/zinc/09/85/03/427098503.db2.gz JXAQUJFICIVBID-MRXNPFEDSA-N 2 1 307.482 2.619 20 0 DFADMP O=C(C=Cc1c[nH]cn1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000276551275 427098899 /nfs/dbraw/zinc/09/88/99/427098899.db2.gz HRKXTZIEXZEGTG-BQYQJAHWSA-N 2 1 316.449 2.538 20 0 DFADMP C[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000283943291 427104848 /nfs/dbraw/zinc/10/48/48/427104848.db2.gz FMFLJYAXXWYZSI-IPJUCJBFSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000268780584 427111315 /nfs/dbraw/zinc/11/13/15/427111315.db2.gz BZWSAMMHNNSJMG-CQSZACIVSA-N 2 1 312.417 2.669 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338046827 427112177 /nfs/dbraw/zinc/11/21/77/427112177.db2.gz LNRWEJUEUQZZMR-COZGXFGHSA-N 2 1 323.525 2.730 20 0 DFADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000283999004 427113695 /nfs/dbraw/zinc/11/36/95/427113695.db2.gz DNADIEBIKSRYFG-IBGZPJMESA-N 2 1 303.494 2.577 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1NC(C)=O ZINC000268789557 427114038 /nfs/dbraw/zinc/11/40/38/427114038.db2.gz GDXJZIZBZMFHST-LBPRGKRZSA-N 2 1 316.405 2.509 20 0 DFADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccccn2)C1 ZINC000190464956 427114384 /nfs/dbraw/zinc/11/43/84/427114384.db2.gz HEWPEMAHFNBBRU-HNNXBMFYSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000190464956 427114391 /nfs/dbraw/zinc/11/43/91/427114391.db2.gz HEWPEMAHFNBBRU-HNNXBMFYSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000190461544 427114818 /nfs/dbraw/zinc/11/48/18/427114818.db2.gz FEWAUWHIQJGFRC-MRXNPFEDSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2ccncc2)C1 ZINC000190461544 427114821 /nfs/dbraw/zinc/11/48/21/427114821.db2.gz FEWAUWHIQJGFRC-MRXNPFEDSA-N 2 1 316.474 2.800 20 0 DFADMP C[C@@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338053575 427116597 /nfs/dbraw/zinc/11/65/97/427116597.db2.gz VFLBQCXLZALHER-GJGATLCTSA-N 2 1 323.525 2.874 20 0 DFADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338053797 427118228 /nfs/dbraw/zinc/11/82/28/427118228.db2.gz IXRFJZWXQUEKKT-BRWVUGGUSA-N 2 1 323.525 2.971 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000190468139 427119484 /nfs/dbraw/zinc/11/94/84/427119484.db2.gz FZRJIEWNOWKSSK-CYBMUJFWSA-N 2 1 322.503 2.862 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000276804294 427123838 /nfs/dbraw/zinc/12/38/38/427123838.db2.gz MKLOPJXTNZGQTA-UHFFFAOYSA-N 2 1 318.396 2.659 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC[C@H]2CCC[NH2+]2)c1 ZINC000292192692 427126654 /nfs/dbraw/zinc/12/66/54/427126654.db2.gz XRHABOZXYCRKOE-GOSISDBHSA-N 2 1 317.477 2.675 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000268835841 427135160 /nfs/dbraw/zinc/13/51/60/427135160.db2.gz UJOFZYRFMJTFLG-CQSZACIVSA-N 2 1 303.406 2.568 20 0 DFADMP Fc1ccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)cn1 ZINC000190553617 427136927 /nfs/dbraw/zinc/13/69/27/427136927.db2.gz NLXQEGIVQXTQGK-UHFFFAOYSA-N 2 1 321.440 2.940 20 0 DFADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)O1 ZINC000190648683 427152346 /nfs/dbraw/zinc/15/23/46/427152346.db2.gz VHZDSQLIXNTJQK-LPHOPBHVSA-N 2 1 317.477 2.588 20 0 DFADMP COc1ccnc(CN2CC[N@@H+](C)CC23CCCCC3)c1OC ZINC000190644354 427154106 /nfs/dbraw/zinc/15/41/06/427154106.db2.gz DBHAEXNOLMQNHN-UHFFFAOYSA-N 2 1 319.449 2.549 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000158645027 271078617 /nfs/dbraw/zinc/07/86/17/271078617.db2.gz HDOVMOVDBJQKSV-NUJGCVRESA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000175010597 271143698 /nfs/dbraw/zinc/14/36/98/271143698.db2.gz LWKLZXLBHCUFQC-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP [NH3+][C@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000238018944 271256614 /nfs/dbraw/zinc/25/66/14/271256614.db2.gz VKWQYUTXIHSKGX-MOPGFXCFSA-N 2 1 323.440 2.640 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)cn1 ZINC000270489173 271297390 /nfs/dbraw/zinc/29/73/90/271297390.db2.gz LUHCAIISBHRYBV-CGTJXYLNSA-N 2 1 324.428 2.623 20 0 DFADMP CC(C)(C)n1cc(C[NH2+]Cc2ccc(Cn3ccnc3)cc2)nn1 ZINC000190753425 427172063 /nfs/dbraw/zinc/17/20/63/427172063.db2.gz QUBPPLBWUIZYPF-UHFFFAOYSA-N 2 1 324.432 2.568 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000284472248 271339230 /nfs/dbraw/zinc/33/92/30/271339230.db2.gz VXBPMCNDYKPQSW-SCTDSRPQSA-N 2 1 317.477 2.514 20 0 DFADMP C[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000285388712 427217085 /nfs/dbraw/zinc/21/70/85/427217085.db2.gz DJWABRPOYWMPAQ-WMZOPIPTSA-N 2 1 302.462 2.913 20 0 DFADMP CCc1ccccc1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285386535 427218820 /nfs/dbraw/zinc/21/88/20/427218820.db2.gz DEVNIAFAHNYWHN-SJPCQFCGSA-N 2 1 315.461 2.745 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000190754223 427174489 /nfs/dbraw/zinc/17/44/89/427174489.db2.gz BVVUNJWMNOYNMF-INIZCTEOSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H](CCc1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962048 427176473 /nfs/dbraw/zinc/17/64/73/427176473.db2.gz VVZRTAPZTUGVCV-SFHVURJKSA-N 2 1 303.494 2.577 20 0 DFADMP CCn1ccnc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296452950 427183785 /nfs/dbraw/zinc/18/37/85/427183785.db2.gz MWKHOGOXQGSTPY-HNNXBMFYSA-N 2 1 316.449 2.694 20 0 DFADMP c1ccc(C[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cccnc2)nc1 ZINC000338195012 427185994 /nfs/dbraw/zinc/18/59/94/427185994.db2.gz KDGTZMVSVCFIOW-UZLBHIALSA-N 2 1 322.456 2.834 20 0 DFADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000253196615 427195118 /nfs/dbraw/zinc/19/51/18/427195118.db2.gz TUPQAZHVKQARCS-QWHCGFSZSA-N 2 1 309.841 2.585 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000253196614 427196383 /nfs/dbraw/zinc/19/63/83/427196383.db2.gz TUPQAZHVKQARCS-CHWSQXEVSA-N 2 1 309.841 2.585 20 0 DFADMP CCC1CCC([N@H+](CCC(=O)N2CC[NH+](C)CC2)C2CC2)CC1 ZINC000338233649 427204234 /nfs/dbraw/zinc/20/42/34/427204234.db2.gz HURSXKBCLNIIEH-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP CCC1CCC([N@@H+](CCC(=O)N2CC[NH+](C)CC2)C2CC2)CC1 ZINC000338233649 427204238 /nfs/dbraw/zinc/20/42/38/427204238.db2.gz HURSXKBCLNIIEH-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP COCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125216 427204343 /nfs/dbraw/zinc/20/43/43/427204343.db2.gz MGILUHUJROSGMX-CEXWTWQISA-N 2 1 302.462 2.913 20 0 DFADMP CCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130054 427207773 /nfs/dbraw/zinc/20/77/73/427207773.db2.gz AOALRBVAGMHLFR-CEXWTWQISA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000277496781 427220967 /nfs/dbraw/zinc/22/09/67/427220967.db2.gz OMRZTFKVJGZVQT-JKSUJKDBSA-N 2 1 317.477 2.805 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000277517512 427226760 /nfs/dbraw/zinc/22/67/60/427226760.db2.gz RZJWGFYHRQZCBF-QAPCUYQASA-N 2 1 317.477 2.789 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CC[C@@H](C)O2)CC1 ZINC000191029007 427236867 /nfs/dbraw/zinc/23/68/67/427236867.db2.gz OBFSGRNSAAKTIS-AEFFLSMTSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)Cc1ccccc1 ZINC000277546806 427238859 /nfs/dbraw/zinc/23/88/59/427238859.db2.gz QSCJSYKPFPFZGG-MSOLQXFVSA-N 2 1 304.478 2.956 20 0 DFADMP CC(C)CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000338298316 427245853 /nfs/dbraw/zinc/24/58/53/427245853.db2.gz BOVDDUKLBCWVKG-INIZCTEOSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000183334259 427248333 /nfs/dbraw/zinc/24/83/33/427248333.db2.gz FSWQMBSJDCJMJM-NUEKZKHPSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000183334259 427248336 /nfs/dbraw/zinc/24/83/36/427248336.db2.gz FSWQMBSJDCJMJM-NUEKZKHPSA-N 2 1 307.869 2.991 20 0 DFADMP CCc1cc(N[C@H](C)CN2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000269724239 427264678 /nfs/dbraw/zinc/26/46/78/427264678.db2.gz CYWVIDXWRXRWIK-OAHLLOKOSA-N 2 1 312.461 2.845 20 0 DFADMP COCCN(CCOC)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC000285552597 427271187 /nfs/dbraw/zinc/27/11/87/427271187.db2.gz RQOJOHNORGWHPD-UHFFFAOYSA-N 2 1 320.477 2.554 20 0 DFADMP CN(C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277656593 427274823 /nfs/dbraw/zinc/27/48/23/427274823.db2.gz ZMEVLPODHMXAPL-OAHLLOKOSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000277656593 427274833 /nfs/dbraw/zinc/27/48/33/427274833.db2.gz ZMEVLPODHMXAPL-OAHLLOKOSA-N 2 1 321.490 2.556 20 0 DFADMP COc1cccc(OCC[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000269887837 427299637 /nfs/dbraw/zinc/29/96/37/427299637.db2.gz QQJTWOGFLXITCH-UHFFFAOYSA-N 2 1 306.450 2.879 20 0 DFADMP COc1cccc(OCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000269887837 427299644 /nfs/dbraw/zinc/29/96/44/427299644.db2.gz QQJTWOGFLXITCH-UHFFFAOYSA-N 2 1 306.450 2.879 20 0 DFADMP c1c[nH]c(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293416461 427317009 /nfs/dbraw/zinc/31/70/09/427317009.db2.gz SJBNCBHIWJFTFZ-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP c1c[nH]c(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000293416461 427317015 /nfs/dbraw/zinc/31/70/15/427317015.db2.gz SJBNCBHIWJFTFZ-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP CC[C@@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183681671 427320201 /nfs/dbraw/zinc/32/02/01/427320201.db2.gz OFDYJXACBMIOOJ-ZIAGYGMSSA-N 2 1 314.433 2.746 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ncccc3c2)CCCO1 ZINC000277828895 427332121 /nfs/dbraw/zinc/33/21/21/427332121.db2.gz LKHVASDKENFDPN-INIZCTEOSA-N 2 1 313.445 2.825 20 0 DFADMP CCC[N@@H+](CCC(=O)Nc1ccccc1F)C1CC[NH2+]CC1 ZINC000261714720 427339608 /nfs/dbraw/zinc/33/96/08/427339608.db2.gz PLRWWBFQIGPNGY-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP C[NH+]1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293494365 427342939 /nfs/dbraw/zinc/34/29/39/427342939.db2.gz SDEJQHRDHBVVFR-RDTXWAMCSA-N 2 1 306.425 2.977 20 0 DFADMP CC(C)N(C)c1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000191243352 427296630 /nfs/dbraw/zinc/29/66/30/427296630.db2.gz DVKMHSSRGVBOOR-QGZVFWFLSA-N 2 1 304.482 2.700 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000191243352 427296636 /nfs/dbraw/zinc/29/66/36/427296636.db2.gz DVKMHSSRGVBOOR-QGZVFWFLSA-N 2 1 304.482 2.700 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cn1 ZINC000191243352 427296643 /nfs/dbraw/zinc/29/66/43/427296643.db2.gz DVKMHSSRGVBOOR-QGZVFWFLSA-N 2 1 304.482 2.700 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cn1 ZINC000191243352 427296649 /nfs/dbraw/zinc/29/66/49/427296649.db2.gz DVKMHSSRGVBOOR-QGZVFWFLSA-N 2 1 304.482 2.700 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000191243352 427296655 /nfs/dbraw/zinc/29/66/55/427296655.db2.gz DVKMHSSRGVBOOR-QGZVFWFLSA-N 2 1 304.482 2.700 20 0 DFADMP COCc1cc(C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)no1 ZINC000297317797 427398423 /nfs/dbraw/zinc/39/84/23/427398423.db2.gz CAHIADCWLZVDKC-ZDUSSCGKSA-N 2 1 312.373 2.858 20 0 DFADMP CC1(C)OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000293681176 427405900 /nfs/dbraw/zinc/40/59/00/427405900.db2.gz KITZWVCFFZQBSG-SFHVURJKSA-N 2 1 302.462 2.851 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CO2 ZINC000297504828 427407540 /nfs/dbraw/zinc/40/75/40/427407540.db2.gz CDVQIGKTYNGREB-WBVHZDCISA-N 2 1 318.461 2.709 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@H](O)c2cccnc2)C1 ZINC000297500879 427408042 /nfs/dbraw/zinc/40/80/42/427408042.db2.gz NDBWKYFAWNKLRT-AOIWGVFYSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2cccnc2)C1 ZINC000297500879 427408049 /nfs/dbraw/zinc/40/80/49/427408049.db2.gz NDBWKYFAWNKLRT-AOIWGVFYSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H](O)c2cccnc2)C1 ZINC000297500879 427408055 /nfs/dbraw/zinc/40/80/55/427408055.db2.gz NDBWKYFAWNKLRT-AOIWGVFYSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H](O)c2cccnc2)C1 ZINC000297500879 427408064 /nfs/dbraw/zinc/40/80/64/427408064.db2.gz NDBWKYFAWNKLRT-AOIWGVFYSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H](O)c2cccnc2)C1 ZINC000297500879 427408074 /nfs/dbraw/zinc/40/80/74/427408074.db2.gz NDBWKYFAWNKLRT-AOIWGVFYSA-N 2 1 317.477 2.701 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262372758 427355980 /nfs/dbraw/zinc/35/59/80/427355980.db2.gz XPWXSDYHXDHGJM-AEGPPILISA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262372758 427355984 /nfs/dbraw/zinc/35/59/84/427355984.db2.gz XPWXSDYHXDHGJM-AEGPPILISA-N 2 1 321.852 2.646 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1CC2(CCC2)C(=O)O1)Cc1ccco1 ZINC000285860914 427358193 /nfs/dbraw/zinc/35/81/93/427358193.db2.gz YLAOOWDGPMMOHL-MRXNPFEDSA-N 2 1 320.433 2.519 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2cnc3ccc(Cl)cn23)CC[N@H+]1C ZINC000271206533 427449098 /nfs/dbraw/zinc/44/90/98/427449098.db2.gz RWMOOAJMSCRNFN-OCCSQVGLSA-N 2 1 306.841 2.902 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000191952076 427452887 /nfs/dbraw/zinc/45/28/87/427452887.db2.gz HOGOIJHQXXQROH-CQSZACIVSA-N 2 1 320.485 2.513 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnnn2C2CC2)CC1 ZINC000191952076 427452894 /nfs/dbraw/zinc/45/28/94/427452894.db2.gz HOGOIJHQXXQROH-CQSZACIVSA-N 2 1 320.485 2.513 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263365613 427470896 /nfs/dbraw/zinc/47/08/96/427470896.db2.gz VXRKPDXPELYZBF-WMZOPIPTSA-N 2 1 317.477 2.847 20 0 DFADMP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000192058421 427472477 /nfs/dbraw/zinc/47/24/77/427472477.db2.gz DDQCJGCCMBMDJP-HUUCEWRRSA-N 2 1 307.438 2.776 20 0 DFADMP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000192058421 427472485 /nfs/dbraw/zinc/47/24/85/427472485.db2.gz DDQCJGCCMBMDJP-HUUCEWRRSA-N 2 1 307.438 2.776 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278863146 427481949 /nfs/dbraw/zinc/48/19/49/427481949.db2.gz BAPNFFWDFJWVFX-KGLIPLIRSA-N 2 1 315.417 2.814 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1O ZINC000297926185 427485402 /nfs/dbraw/zinc/48/54/02/427485402.db2.gz UDKVDJUCDXLLAP-HZPDHXFCSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)ccc1O ZINC000297926185 427485409 /nfs/dbraw/zinc/48/54/09/427485409.db2.gz UDKVDJUCDXLLAP-HZPDHXFCSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)ccc1O ZINC000297926185 427485413 /nfs/dbraw/zinc/48/54/13/427485413.db2.gz UDKVDJUCDXLLAP-HZPDHXFCSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)ccc1O ZINC000297926185 427485419 /nfs/dbraw/zinc/48/54/19/427485419.db2.gz UDKVDJUCDXLLAP-HZPDHXFCSA-N 2 1 304.434 2.707 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338780731 427486129 /nfs/dbraw/zinc/48/61/29/427486129.db2.gz AAKOTQJMVYSWCL-YSIASYRMSA-N 2 1 315.505 2.796 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184229321 427420419 /nfs/dbraw/zinc/42/04/19/427420419.db2.gz FFADQAZVAKASIL-INIZCTEOSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000271170267 427431792 /nfs/dbraw/zinc/43/17/92/427431792.db2.gz PPHMQUOKJKLRIM-OAHLLOKOSA-N 2 1 315.461 2.693 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363089 427432075 /nfs/dbraw/zinc/43/20/75/427432075.db2.gz BLWYNIWRVGCSTN-KSSFIOAISA-N 2 1 306.425 2.904 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000338784484 427487387 /nfs/dbraw/zinc/48/73/87/427487387.db2.gz KPXZOENPLOTOPK-RYUDHWBXSA-N 2 1 303.381 2.911 20 0 DFADMP Cn1cncc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271319703 427493653 /nfs/dbraw/zinc/49/36/53/427493653.db2.gz JRISQWKRHKGYHW-UHFFFAOYSA-N 2 1 313.449 2.554 20 0 DFADMP CCc1nc(NCc2ccc(OCC[NH+](C)C)cc2)cc(C)[nH+]1 ZINC000286354284 427502277 /nfs/dbraw/zinc/50/22/77/427502277.db2.gz LCFOTQJHAYOHTI-UHFFFAOYSA-N 2 1 314.433 2.900 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000278957475 427512621 /nfs/dbraw/zinc/51/26/21/427512621.db2.gz MCADODOVCNCYJU-CHWSQXEVSA-N 2 1 303.381 2.944 20 0 DFADMP Cc1cc(-c2nnc(C[NH+]3CCC(C[NH+](C)C)CC3)o2)c(C)o1 ZINC000332158152 427528726 /nfs/dbraw/zinc/52/87/26/427528726.db2.gz JOMLUDSFVJVJSS-UHFFFAOYSA-N 2 1 318.421 2.720 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000298195982 427531750 /nfs/dbraw/zinc/53/17/50/427531750.db2.gz CRAVJRLNVGLDCK-SWLSCSKDSA-N 2 1 316.367 2.813 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000271460826 427546559 /nfs/dbraw/zinc/54/65/59/427546559.db2.gz HGOWKCOHHPTXAJ-ITQYTPKQSA-N 2 1 318.461 2.988 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(NC(=O)OC)cc2)[C@@H](C)C1 ZINC000271458446 427547552 /nfs/dbraw/zinc/54/75/52/427547552.db2.gz HIENDGYYRMKMBG-WMLDXEAASA-N 2 1 319.449 2.727 20 0 DFADMP CC1CCN(C(=[NH2+])NCC(C)(C)[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000341609068 271861671 /nfs/dbraw/zinc/86/16/71/271861671.db2.gz CROMOLONTFTRBK-IYBDPMFKSA-N 2 1 308.514 2.999 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnn1C ZINC000192818451 427618113 /nfs/dbraw/zinc/61/81/13/427618113.db2.gz HMLRAJSZMNPPSQ-SJLPKXTDSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnn1C ZINC000192818451 427618121 /nfs/dbraw/zinc/61/81/21/427618121.db2.gz HMLRAJSZMNPPSQ-SJLPKXTDSA-N 2 1 312.461 2.635 20 0 DFADMP CCOC(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OCC ZINC000184964582 427570101 /nfs/dbraw/zinc/57/01/01/427570101.db2.gz CVWJCDDLAZADDL-KRWDZBQOSA-N 2 1 312.498 2.974 20 0 DFADMP CCOC(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OCC ZINC000184964582 427570107 /nfs/dbraw/zinc/57/01/07/427570107.db2.gz CVWJCDDLAZADDL-KRWDZBQOSA-N 2 1 312.498 2.974 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000298326905 427571383 /nfs/dbraw/zinc/57/13/83/427571383.db2.gz VIJLCLWRMXNQKE-SWLSCSKDSA-N 2 1 316.367 2.813 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000271526977 427572437 /nfs/dbraw/zinc/57/24/37/427572437.db2.gz REULPLBSXZOQOR-HOTGVXAUSA-N 2 1 312.461 2.722 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298330799 427575567 /nfs/dbraw/zinc/57/55/67/427575567.db2.gz IUGUVMRJKNJYPU-UHFFFAOYSA-N 2 1 314.477 2.788 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000271653279 427581634 /nfs/dbraw/zinc/58/16/34/427581634.db2.gz VQUODYCFXOZHDQ-OCCSQVGLSA-N 2 1 317.389 2.797 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000271653279 427581639 /nfs/dbraw/zinc/58/16/39/427581639.db2.gz VQUODYCFXOZHDQ-OCCSQVGLSA-N 2 1 317.389 2.797 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000271546004 427582385 /nfs/dbraw/zinc/58/23/85/427582385.db2.gz RJSLTCLOGLTXLA-NEPJUHHUSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)CC[N@H+]1C ZINC000271546004 427582390 /nfs/dbraw/zinc/58/23/90/427582390.db2.gz RJSLTCLOGLTXLA-NEPJUHHUSA-N 2 1 317.355 2.552 20 0 DFADMP CC[NH+](CC)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000192774147 427607811 /nfs/dbraw/zinc/60/78/11/427607811.db2.gz GRZOPUGEGKDJLI-NPYXIHBLSA-N 2 1 305.466 2.877 20 0 DFADMP C[C@H](c1cccnc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000263913556 427608914 /nfs/dbraw/zinc/60/89/14/427608914.db2.gz NMMKCLCTTASKLD-IXDOHACOSA-N 2 1 317.477 2.964 20 0 DFADMP C[N@@H+](CCC[NH2+]C1CCC2(CC1)OCCO2)Cc1ccccc1 ZINC000192872736 427626717 /nfs/dbraw/zinc/62/67/17/427626717.db2.gz LZUKEGQYSYKGDX-UHFFFAOYSA-N 2 1 318.461 2.784 20 0 DFADMP Cn1ccc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000272097233 427629661 /nfs/dbraw/zinc/62/96/61/427629661.db2.gz YZGMMNMTTGXYNR-UHFFFAOYSA-N 2 1 313.449 2.554 20 0 DFADMP CC[N@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000339031525 427637844 /nfs/dbraw/zinc/63/78/44/427637844.db2.gz JVRIJGBDXBNUOD-KRWDZBQOSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1)C(C)C ZINC000339031525 427637852 /nfs/dbraw/zinc/63/78/52/427637852.db2.gz JVRIJGBDXBNUOD-KRWDZBQOSA-N 2 1 317.477 2.622 20 0 DFADMP CCCCN1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298543681 427646089 /nfs/dbraw/zinc/64/60/89/427646089.db2.gz TYESBMGTQNEWNU-UHFFFAOYSA-N 2 1 316.493 2.905 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164034 427657593 /nfs/dbraw/zinc/65/75/93/427657593.db2.gz GHBOMBZGYASNMM-YTQUADARSA-N 2 1 302.462 2.913 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000193046856 427658766 /nfs/dbraw/zinc/65/87/66/427658766.db2.gz QOVIURSKKAFCCC-RTBURBONSA-N 2 1 324.509 2.974 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000193046856 427658771 /nfs/dbraw/zinc/65/87/71/427658771.db2.gz QOVIURSKKAFCCC-RTBURBONSA-N 2 1 324.509 2.974 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068608 427659337 /nfs/dbraw/zinc/65/93/37/427659337.db2.gz RTGKWZCBOOWHRA-ROUUACIJSA-N 2 1 314.477 2.788 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068608 427659340 /nfs/dbraw/zinc/65/93/40/427659340.db2.gz RTGKWZCBOOWHRA-ROUUACIJSA-N 2 1 314.477 2.788 20 0 DFADMP CCSc1cccc(C[NH2+]C2CC[NH+](CCOC)CC2)c1 ZINC000185491881 427660471 /nfs/dbraw/zinc/66/04/71/427660471.db2.gz LEUGWNKKBZEJNK-UHFFFAOYSA-N 2 1 308.491 2.999 20 0 DFADMP Cc1c(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000272183552 427664826 /nfs/dbraw/zinc/66/48/26/427664826.db2.gz KRAMTENQFKGFRN-MAUKXSAKSA-N 2 1 312.461 2.729 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(O)cc(F)c2)C[C@H](C)O1 ZINC000185496303 427664886 /nfs/dbraw/zinc/66/48/86/427664886.db2.gz HJHGTCNQWJZSBB-OKILXGFUSA-N 2 1 310.413 2.510 20 0 DFADMP C[NH+](C/C=C/C[N@@H+](C)CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342583614 272027349 /nfs/dbraw/zinc/02/73/49/272027349.db2.gz ICZKVKTWPIGBTB-ZFRRBFPSSA-N 2 1 310.482 2.544 20 0 DFADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1OC ZINC000192865093 427625383 /nfs/dbraw/zinc/62/53/83/427625383.db2.gz UQLUVQKAMDGYBB-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP CCOc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1OC ZINC000192865093 427625387 /nfs/dbraw/zinc/62/53/87/427625387.db2.gz UQLUVQKAMDGYBB-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1cccc(F)c1F ZINC000342748779 272049691 /nfs/dbraw/zinc/04/96/91/272049691.db2.gz IFKDYVBMXKPWRB-OIISXLGYSA-N 2 1 324.415 2.691 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1cccc(F)c1F ZINC000342748779 272049693 /nfs/dbraw/zinc/04/96/93/272049693.db2.gz IFKDYVBMXKPWRB-OIISXLGYSA-N 2 1 324.415 2.691 20 0 DFADMP Cc1nccn1CCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000342859989 272062593 /nfs/dbraw/zinc/06/25/93/272062593.db2.gz MWQNNRIRWQUAHO-JZXOWHBKSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000342859989 272062595 /nfs/dbraw/zinc/06/25/95/272062595.db2.gz MWQNNRIRWQUAHO-JZXOWHBKSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000342859989 272062597 /nfs/dbraw/zinc/06/25/97/272062597.db2.gz MWQNNRIRWQUAHO-JZXOWHBKSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1c[nH+]ccc1NC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000342992406 272074378 /nfs/dbraw/zinc/07/43/78/272074378.db2.gz VLWMEAIFAHRCBH-UONOGXRCSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1c[nH+]ccc1NC[C@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000342992406 272074380 /nfs/dbraw/zinc/07/43/80/272074380.db2.gz VLWMEAIFAHRCBH-UONOGXRCSA-N 2 1 305.422 2.898 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032841 272077202 /nfs/dbraw/zinc/07/72/02/272077202.db2.gz HVUSEOXCEOCTIT-VQIMIIECSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032841 272077204 /nfs/dbraw/zinc/07/72/04/272077204.db2.gz HVUSEOXCEOCTIT-VQIMIIECSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000343032837 272077225 /nfs/dbraw/zinc/07/72/25/272077225.db2.gz HVUSEOXCEOCTIT-LPHOPBHVSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000343032837 272077229 /nfs/dbraw/zinc/07/72/29/272077229.db2.gz HVUSEOXCEOCTIT-LPHOPBHVSA-N 2 1 301.478 2.712 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCCC2)CC1 ZINC000343046135 272078973 /nfs/dbraw/zinc/07/89/73/272078973.db2.gz QIBKMSKWBRFPAX-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP Cc1ccc2[nH+]ccc(N3C[C@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000343291680 272113222 /nfs/dbraw/zinc/11/32/22/272113222.db2.gz SMJITSJEYXQBJY-HZPDHXFCSA-N 2 1 311.429 2.843 20 0 DFADMP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000343335235 272120970 /nfs/dbraw/zinc/12/09/70/272120970.db2.gz HWUKPECPGOSWPY-HCXYKTFWSA-N 2 1 300.446 2.981 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000272207628 427672058 /nfs/dbraw/zinc/67/20/58/427672058.db2.gz HFRSGVFMJPITIO-MAUKXSAKSA-N 2 1 317.477 2.728 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000343548453 272167771 /nfs/dbraw/zinc/16/77/71/272167771.db2.gz KCOFRPYSCOFRCB-GOSISDBHSA-N 2 1 322.497 2.705 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295054588 427674554 /nfs/dbraw/zinc/67/45/54/427674554.db2.gz GBMBAYCBNPAGLZ-FRYIKTPZSA-N 2 1 316.489 2.895 20 0 DFADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000343632356 272189417 /nfs/dbraw/zinc/18/94/17/272189417.db2.gz RUZZJMNPRUQIHT-CVEARBPZSA-N 2 1 304.434 2.729 20 0 DFADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000343632356 272189418 /nfs/dbraw/zinc/18/94/18/272189418.db2.gz RUZZJMNPRUQIHT-CVEARBPZSA-N 2 1 304.434 2.729 20 0 DFADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000343923256 272238164 /nfs/dbraw/zinc/23/81/64/272238164.db2.gz GMPVHVVJZGVAIT-SOLBZPMBSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000343923256 272238166 /nfs/dbraw/zinc/23/81/66/272238166.db2.gz GMPVHVVJZGVAIT-SOLBZPMBSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000343923256 272238168 /nfs/dbraw/zinc/23/81/68/272238168.db2.gz GMPVHVVJZGVAIT-SOLBZPMBSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000343923256 272238170 /nfs/dbraw/zinc/23/81/70/272238170.db2.gz GMPVHVVJZGVAIT-SOLBZPMBSA-N 2 1 301.478 2.722 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343983227 272247670 /nfs/dbraw/zinc/24/76/70/272247670.db2.gz ZFBFYVWGPQADBX-IEBWSBKVSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343983227 272247671 /nfs/dbraw/zinc/24/76/71/272247671.db2.gz ZFBFYVWGPQADBX-IEBWSBKVSA-N 2 1 310.445 2.897 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000344087311 272260041 /nfs/dbraw/zinc/26/00/41/272260041.db2.gz IKKLYHKJVMNXBI-ZHALLVOQSA-N 2 1 324.472 2.871 20 0 DFADMP COc1cccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)c1 ZINC000193202405 427677579 /nfs/dbraw/zinc/67/75/79/427677579.db2.gz VTSXCIAFNAXJHJ-PHSGOXPASA-N 2 1 317.477 2.513 20 0 DFADMP COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)c1 ZINC000193202405 427677584 /nfs/dbraw/zinc/67/75/84/427677584.db2.gz VTSXCIAFNAXJHJ-PHSGOXPASA-N 2 1 317.477 2.513 20 0 DFADMP COc1cccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)c1 ZINC000193202405 427677588 /nfs/dbraw/zinc/67/75/88/427677588.db2.gz VTSXCIAFNAXJHJ-PHSGOXPASA-N 2 1 317.477 2.513 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344112583 272266175 /nfs/dbraw/zinc/26/61/75/272266175.db2.gz VBFOWBYRLBFBBO-MJGOQNOKSA-N 2 1 320.452 2.886 20 0 DFADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)C1 ZINC000344292178 272306228 /nfs/dbraw/zinc/30/62/28/272306228.db2.gz FSXUBTFSCQECNP-LPHOPBHVSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3=CC[N@H+](C)CC3)CC2)C1 ZINC000344292178 272306229 /nfs/dbraw/zinc/30/62/29/272306229.db2.gz FSXUBTFSCQECNP-LPHOPBHVSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H]1CCC[C@H]([NH+]2CCC(NCC3=CC[N@@H+](C)CC3)CC2)C1 ZINC000344292178 272306232 /nfs/dbraw/zinc/30/62/32/272306232.db2.gz FSXUBTFSCQECNP-LPHOPBHVSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000344307643 272308678 /nfs/dbraw/zinc/30/86/78/272308678.db2.gz XLANDMLUOGKTGQ-ZDUSSCGKSA-N 2 1 313.445 2.829 20 0 DFADMP Cc1ccsc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344554083 272337162 /nfs/dbraw/zinc/33/71/62/272337162.db2.gz VDPHDSRZOYBZRF-SFHVURJKSA-N 2 1 316.470 2.783 20 0 DFADMP Cc1ccsc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344554083 272337164 /nfs/dbraw/zinc/33/71/64/272337164.db2.gz VDPHDSRZOYBZRF-SFHVURJKSA-N 2 1 316.470 2.783 20 0 DFADMP CO[C@H](C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000295080244 427684740 /nfs/dbraw/zinc/68/47/40/427684740.db2.gz TVJUXUXQNPAFJH-ATZDWAIDSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000344614946 272348391 /nfs/dbraw/zinc/34/83/91/272348391.db2.gz LOOIRFAIZXNMNW-YESZJQIVSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000344614946 272348393 /nfs/dbraw/zinc/34/83/93/272348393.db2.gz LOOIRFAIZXNMNW-YESZJQIVSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000344614946 272348395 /nfs/dbraw/zinc/34/83/95/272348395.db2.gz LOOIRFAIZXNMNW-YESZJQIVSA-N 2 1 309.498 2.630 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000344777996 272367148 /nfs/dbraw/zinc/36/71/48/272367148.db2.gz VLHJNFKLZIVBCK-BBRMVZONSA-N 2 1 323.506 2.837 20 0 DFADMP OC[C@@H](CC1CCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000279845375 427722494 /nfs/dbraw/zinc/72/24/94/427722494.db2.gz RKYINESXWLLINB-HXUWFJFHSA-N 2 1 316.489 2.834 20 0 DFADMP CCc1ccc2c(C[NH2+]C3CC[NH+](CC)CC3)cc(=O)oc2c1 ZINC000272256124 427686403 /nfs/dbraw/zinc/68/64/03/427686403.db2.gz PQNGAHUZLBMPCX-UHFFFAOYSA-N 2 1 314.429 2.929 20 0 DFADMP C[C@@H]([NH2+]C1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272270099 427691529 /nfs/dbraw/zinc/69/15/29/427691529.db2.gz BCZCWBDVRREMFY-AEFFLSMTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272270099 427691532 /nfs/dbraw/zinc/69/15/32/427691532.db2.gz BCZCWBDVRREMFY-AEFFLSMTSA-N 3 1 301.478 2.581 20 0 DFADMP C[C@@H](NC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272270099 427691538 /nfs/dbraw/zinc/69/15/38/427691538.db2.gz BCZCWBDVRREMFY-AEFFLSMTSA-N 3 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C1CCN(C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272270111 427691609 /nfs/dbraw/zinc/69/16/09/427691609.db2.gz BCZCWBDVRREMFY-WMZOPIPTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC1CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272270111 427691616 /nfs/dbraw/zinc/69/16/16/427691616.db2.gz BCZCWBDVRREMFY-WMZOPIPTSA-N 3 1 301.478 2.581 20 0 DFADMP C[C@H](NC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272270111 427691619 /nfs/dbraw/zinc/69/16/19/427691619.db2.gz BCZCWBDVRREMFY-WMZOPIPTSA-N 3 1 301.478 2.581 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193459809 427693111 /nfs/dbraw/zinc/69/31/11/427693111.db2.gz COKCORGCYLNEPF-INIZCTEOSA-N 2 1 313.449 2.746 20 0 DFADMP CC(C)[N@@H+](C)CCCNCc1ccnn1-c1ccc(F)cc1 ZINC000279546422 427699811 /nfs/dbraw/zinc/69/98/11/427699811.db2.gz AVNKZBFCKFWKGN-UHFFFAOYSA-N 2 1 304.413 2.831 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000279546422 427699818 /nfs/dbraw/zinc/69/98/18/427699818.db2.gz AVNKZBFCKFWKGN-UHFFFAOYSA-N 2 1 304.413 2.831 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000279546422 427699823 /nfs/dbraw/zinc/69/98/23/427699823.db2.gz AVNKZBFCKFWKGN-UHFFFAOYSA-N 2 1 304.413 2.831 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755414 427701787 /nfs/dbraw/zinc/70/17/87/427701787.db2.gz WKHAYMOZQBXTQW-QAPCUYQASA-N 2 1 302.462 2.922 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H](CCCC(=O)OC)C2)CC1 ZINC000339163404 427712013 /nfs/dbraw/zinc/71/20/13/427712013.db2.gz DMHLKZIUKZZYDV-WBVHZDCISA-N 2 1 310.482 2.962 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@H]3CCCC[N@@H+]3C[C@H]2C)c1C ZINC000336857950 427762563 /nfs/dbraw/zinc/76/25/63/427762563.db2.gz WEYWERKWBOKLRT-GDBMZVCRSA-N 2 1 303.450 2.766 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@H]3CCCC[N@H+]3C[C@H]2C)c1C ZINC000336857950 427762567 /nfs/dbraw/zinc/76/25/67/427762567.db2.gz WEYWERKWBOKLRT-GDBMZVCRSA-N 2 1 303.450 2.766 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)[C@@H]1CCCc2ccccc21 ZINC000336858180 427763449 /nfs/dbraw/zinc/76/34/49/427763449.db2.gz XLQRXABGSQMXMT-IEBWSBKVSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000336858180 427763451 /nfs/dbraw/zinc/76/34/51/427763451.db2.gz XLQRXABGSQMXMT-IEBWSBKVSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000336858180 427763454 /nfs/dbraw/zinc/76/34/54/427763454.db2.gz XLQRXABGSQMXMT-IEBWSBKVSA-N 2 1 302.462 2.843 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871834 427768368 /nfs/dbraw/zinc/76/83/68/427768368.db2.gz NIHCOZVZCQWWTA-CZUORRHYSA-N 2 1 315.465 2.581 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871834 427768369 /nfs/dbraw/zinc/76/83/69/427768369.db2.gz NIHCOZVZCQWWTA-CZUORRHYSA-N 2 1 315.465 2.581 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871834 427768370 /nfs/dbraw/zinc/76/83/70/427768370.db2.gz NIHCOZVZCQWWTA-CZUORRHYSA-N 2 1 315.465 2.581 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871834 427768372 /nfs/dbraw/zinc/76/83/72/427768372.db2.gz NIHCOZVZCQWWTA-CZUORRHYSA-N 2 1 315.465 2.581 20 0 DFADMP Cc1ccc(CCC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000339406877 427769160 /nfs/dbraw/zinc/76/91/60/427769160.db2.gz GZVHKZMOQWSACR-UXHICEINSA-N 2 1 309.457 2.997 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339433053 427774445 /nfs/dbraw/zinc/77/44/45/427774445.db2.gz IENBYKCNKRWVIT-VQIMIIECSA-N 2 1 315.461 2.740 20 0 DFADMP CC[C@@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000339439042 427776018 /nfs/dbraw/zinc/77/60/18/427776018.db2.gz RFIVRVZKAAWZDZ-AEFFLSMTSA-N 2 1 319.493 2.744 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000301304993 427787804 /nfs/dbraw/zinc/78/78/04/427787804.db2.gz UCAOCOFVUXJXJA-BBRMVZONSA-N 2 1 306.454 2.642 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](Nc2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000301304993 427787805 /nfs/dbraw/zinc/78/78/05/427787805.db2.gz UCAOCOFVUXJXJA-BBRMVZONSA-N 2 1 306.454 2.642 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194026018 427726411 /nfs/dbraw/zinc/72/64/11/427726411.db2.gz QHLYWRRRKYQYJN-MWQQHZPXSA-N 2 1 303.450 2.765 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194056380 427728381 /nfs/dbraw/zinc/72/83/81/427728381.db2.gz GLPLAFYKPZIJHY-BRWVUGGUSA-N 2 1 303.450 2.909 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@H]3C2)cc1 ZINC000336713546 427749270 /nfs/dbraw/zinc/74/92/70/427749270.db2.gz NCESFFQVACBYLY-XUVXKRRUSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCOC4)C[C@H]3C2)cc1 ZINC000336713546 427749272 /nfs/dbraw/zinc/74/92/72/427749272.db2.gz NCESFFQVACBYLY-XUVXKRRUSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCOC4)C[C@H]3C2)cc1 ZINC000336713546 427749274 /nfs/dbraw/zinc/74/92/74/427749274.db2.gz NCESFFQVACBYLY-XUVXKRRUSA-N 2 1 314.473 2.867 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)C1CC1 ZINC000339655955 427808100 /nfs/dbraw/zinc/80/81/00/427808100.db2.gz XWMFBANZZSHCSL-QGZVFWFLSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301688760 427816417 /nfs/dbraw/zinc/81/64/17/427816417.db2.gz VPFSPQJUTORQNF-KGLIPLIRSA-N 2 1 317.408 2.574 20 0 DFADMP Cc1nc(NCc2ccccc2OCC[NH+](C)C)c(C)c(C)[nH+]1 ZINC000301694113 427817254 /nfs/dbraw/zinc/81/72/54/427817254.db2.gz OWJYSAXCOZXXDO-UHFFFAOYSA-N 2 1 314.433 2.954 20 0 DFADMP CC(C)CC[NH+]1CCC(CNc2nc(N(C)C)cc[nH+]2)CC1 ZINC000301796850 427825538 /nfs/dbraw/zinc/82/55/38/427825538.db2.gz YXDUKVMOVPBXKR-UHFFFAOYSA-N 2 1 305.470 2.713 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CCN(c2cc(NCC3CC3)ncn2)CC1 ZINC000301833332 427827999 /nfs/dbraw/zinc/82/79/99/427827999.db2.gz RYCPHXUBKNGDBP-CQSZACIVSA-N 2 1 315.465 2.752 20 0 DFADMP COC[C@@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359400935 427834893 /nfs/dbraw/zinc/83/48/93/427834893.db2.gz DYZLWTTZTIGZLN-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP COc1cc(C)nc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1 ZINC000339819732 427837353 /nfs/dbraw/zinc/83/73/53/427837353.db2.gz KXOIQGFUMBSYTJ-UHFFFAOYSA-N 2 1 314.433 2.587 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc(C(C)(F)F)cc2)CC1 ZINC000340426528 427844880 /nfs/dbraw/zinc/84/48/80/427844880.db2.gz KHJXPVNPIZOKRK-UHFFFAOYSA-N 2 1 312.404 2.999 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686042 427848545 /nfs/dbraw/zinc/84/85/45/427848545.db2.gz YSMQEZNTXVTMAI-PMACEKPBSA-N 2 1 313.489 2.821 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000302075799 427849940 /nfs/dbraw/zinc/84/99/40/427849940.db2.gz XVMATNCMLBALHW-ROUUACIJSA-N 2 1 311.429 2.625 20 0 DFADMP Cc1cc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)on1 ZINC000337335605 427851432 /nfs/dbraw/zinc/85/14/32/427851432.db2.gz LZCNQSJVPYSPSY-QGZVFWFLSA-N 2 1 320.481 2.536 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](C(C)C)CC1 ZINC000359440644 427852891 /nfs/dbraw/zinc/85/28/91/427852891.db2.gz RAFQXUALMNIULF-UHFFFAOYSA-N 2 1 303.381 2.913 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340464543 427853680 /nfs/dbraw/zinc/85/36/80/427853680.db2.gz FUJLFRHGDJXJIZ-GJZGRUSLSA-N 2 1 307.486 2.502 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340464543 427853685 /nfs/dbraw/zinc/85/36/85/427853685.db2.gz FUJLFRHGDJXJIZ-GJZGRUSLSA-N 2 1 307.486 2.502 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@]1(C)CCCO1 ZINC000340464457 427855159 /nfs/dbraw/zinc/85/51/59/427855159.db2.gz PJKHLAIUCBBIMU-LPHOPBHVSA-N 2 1 318.461 2.566 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000345693814 427862198 /nfs/dbraw/zinc/86/21/98/427862198.db2.gz OZNSGSGUKAXKRE-MJGOQNOKSA-N 2 1 317.477 2.532 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359469208 427864187 /nfs/dbraw/zinc/86/41/87/427864187.db2.gz AKDHXNOWQSJMEI-IYBDPMFKSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359469208 427864193 /nfs/dbraw/zinc/86/41/93/427864193.db2.gz AKDHXNOWQSJMEI-IYBDPMFKSA-N 2 1 304.434 2.525 20 0 DFADMP CCOc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OCC(C)C ZINC000359479108 427869667 /nfs/dbraw/zinc/86/96/67/427869667.db2.gz XTWMZMGBDBAFRX-IAGOWNOFSA-N 2 1 318.461 2.771 20 0 DFADMP Fc1cccc(CC[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1F ZINC000337397026 427884595 /nfs/dbraw/zinc/88/45/95/427884595.db2.gz JIDXSNAUKSKLNV-HNNXBMFYSA-N 2 1 324.415 2.552 20 0 DFADMP CCc1nc(NC[C@H](c2ccc(F)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000339968604 427890013 /nfs/dbraw/zinc/89/00/13/427890013.db2.gz DQOMXVSGPOSDQF-OAHLLOKOSA-N 2 1 302.397 3.201 20 0 DFADMP Cc1cc2ncn(C[C@@H](O)C[N@@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000303098403 427896268 /nfs/dbraw/zinc/89/62/68/427896268.db2.gz XSASUYWVXWUHHO-CJNGLKHVSA-N 2 1 301.434 2.746 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427248 427901104 /nfs/dbraw/zinc/90/11/04/427901104.db2.gz BRGSXZXXVFLDGX-DLBZAZTESA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427248 427901109 /nfs/dbraw/zinc/90/11/09/427901109.db2.gz BRGSXZXXVFLDGX-DLBZAZTESA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427248 427901112 /nfs/dbraw/zinc/90/11/12/427901112.db2.gz BRGSXZXXVFLDGX-DLBZAZTESA-N 2 1 316.493 2.883 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](CC)CC ZINC000345790909 427908466 /nfs/dbraw/zinc/90/84/66/427908466.db2.gz HHVSNXUWPCRTFR-YYIAUSFCSA-N 2 1 311.514 2.589 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345825070 427920056 /nfs/dbraw/zinc/92/00/56/427920056.db2.gz VRWJCJBPTLIVLE-SOLBZPMBSA-N 2 1 309.498 2.665 20 0 DFADMP COCCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340220902 427959560 /nfs/dbraw/zinc/95/95/60/427959560.db2.gz RBLRTLUWGBQPJX-RTBURBONSA-N 2 1 320.477 2.855 20 0 DFADMP COCCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340220902 427959562 /nfs/dbraw/zinc/95/95/62/427959562.db2.gz RBLRTLUWGBQPJX-RTBURBONSA-N 2 1 320.477 2.855 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000340228244 427961079 /nfs/dbraw/zinc/96/10/79/427961079.db2.gz JTZORCRZLCOAMO-IAGOWNOFSA-N 2 1 321.509 2.666 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000340236605 427962443 /nfs/dbraw/zinc/96/24/43/427962443.db2.gz RWPBSYODBNJZBE-ROUUACIJSA-N 2 1 320.477 2.853 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000340236605 427962446 /nfs/dbraw/zinc/96/24/46/427962446.db2.gz RWPBSYODBNJZBE-ROUUACIJSA-N 2 1 320.477 2.853 20 0 DFADMP C[NH+](C)CC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000340277721 427975005 /nfs/dbraw/zinc/97/50/05/427975005.db2.gz CQXPCBQGNVZWLO-LJQANCHMSA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](C)CC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000340277721 427975009 /nfs/dbraw/zinc/97/50/09/427975009.db2.gz CQXPCBQGNVZWLO-LJQANCHMSA-N 2 1 301.478 2.535 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc1 ZINC000340310919 427981061 /nfs/dbraw/zinc/98/10/61/427981061.db2.gz BESIJWXBBUIAFP-ZWKOTPCHSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc1 ZINC000340310919 427981068 /nfs/dbraw/zinc/98/10/68/427981068.db2.gz BESIJWXBBUIAFP-ZWKOTPCHSA-N 2 1 310.445 2.753 20 0 DFADMP C[C@H]1[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCCN1Cc1ccccc1 ZINC000340314540 427983168 /nfs/dbraw/zinc/98/31/68/427983168.db2.gz DVJCMEYLKCNNAL-FXAWDEMLSA-N 2 1 313.489 2.891 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1Oc1ccccc1 ZINC000359716189 427985001 /nfs/dbraw/zinc/98/50/01/427985001.db2.gz MHIJQKQYKQNZBZ-RCCFBDPRSA-N 2 1 320.477 2.789 20 0 DFADMP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)nc1 ZINC000340109779 427928973 /nfs/dbraw/zinc/92/89/73/427928973.db2.gz SRHPHLHXHHPCKD-UHFFFAOYSA-N 2 1 310.445 2.582 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340180314 427947127 /nfs/dbraw/zinc/94/71/27/427947127.db2.gz HKNXPBOQXHJMFQ-QRVBRYPASA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340180314 427947130 /nfs/dbraw/zinc/94/71/30/427947130.db2.gz HKNXPBOQXHJMFQ-QRVBRYPASA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340180314 427947135 /nfs/dbraw/zinc/94/71/35/427947135.db2.gz HKNXPBOQXHJMFQ-QRVBRYPASA-N 2 1 301.478 2.896 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@H]1Oc1ccccc1 ZINC000359635268 427948294 /nfs/dbraw/zinc/94/82/94/427948294.db2.gz NVJSVFWWCUEBRN-BSWVEEBUSA-N 2 1 318.461 2.684 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]1Oc1ccccc1 ZINC000359635268 427948299 /nfs/dbraw/zinc/94/82/99/427948299.db2.gz NVJSVFWWCUEBRN-BSWVEEBUSA-N 2 1 318.461 2.684 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000359806280 428025062 /nfs/dbraw/zinc/02/50/62/428025062.db2.gz LWIKWUCXEIXFHC-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000359806280 428025067 /nfs/dbraw/zinc/02/50/67/428025067.db2.gz LWIKWUCXEIXFHC-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000359806280 428025069 /nfs/dbraw/zinc/02/50/69/428025069.db2.gz LWIKWUCXEIXFHC-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CCCO1 ZINC000346131587 428029854 /nfs/dbraw/zinc/02/98/54/428029854.db2.gz KLOZUABWIGBHKH-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000341332799 428033933 /nfs/dbraw/zinc/03/39/33/428033933.db2.gz WQWQQQFGEFSQTB-HZPDHXFCSA-N 2 1 322.468 2.924 20 0 DFADMP CCc1nc(C)cc(N2CC[NH+](Cc3cccs3)CC2)n1 ZINC000341339116 428038668 /nfs/dbraw/zinc/03/86/68/428038668.db2.gz HYRWYDKKGXCKQK-UHFFFAOYSA-N 2 1 302.447 2.731 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729729 428046578 /nfs/dbraw/zinc/04/65/78/428046578.db2.gz APQJRWUVGPGUQV-IXDOHACOSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729729 428046582 /nfs/dbraw/zinc/04/65/82/428046582.db2.gz APQJRWUVGPGUQV-IXDOHACOSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729729 428046588 /nfs/dbraw/zinc/04/65/88/428046588.db2.gz APQJRWUVGPGUQV-IXDOHACOSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729729 428046592 /nfs/dbraw/zinc/04/65/92/428046592.db2.gz APQJRWUVGPGUQV-IXDOHACOSA-N 2 1 320.477 2.669 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2C(=O)OC)C[C@H]1C ZINC000359888655 428061538 /nfs/dbraw/zinc/06/15/38/428061538.db2.gz UWFDVFLYKQKLQG-NVXWUHKLSA-N 2 1 318.461 2.820 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2C(=O)OC)C[C@H]1C ZINC000359888655 428061544 /nfs/dbraw/zinc/06/15/44/428061544.db2.gz UWFDVFLYKQKLQG-NVXWUHKLSA-N 2 1 318.461 2.820 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2C(=O)OC)C[C@H]1C ZINC000359888655 428061549 /nfs/dbraw/zinc/06/15/49/428061549.db2.gz UWFDVFLYKQKLQG-NVXWUHKLSA-N 2 1 318.461 2.820 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000359778305 428015332 /nfs/dbraw/zinc/01/53/32/428015332.db2.gz NIEGIPSJHUTBTR-OAHLLOKOSA-N 2 1 305.466 2.598 20 0 DFADMP OC[C@H]1C=C[C@@H](N[C@@H]2C[C@H](C3CC3)[N@H+](Cc3ccccc3)C2)C1 ZINC000376892444 428019000 /nfs/dbraw/zinc/01/90/00/428019000.db2.gz NNTCIVHLZRWDOG-MTFMMBMASA-N 2 1 312.457 2.566 20 0 DFADMP OC[C@H]1C=C[C@@H](N[C@@H]2C[C@H](C3CC3)[N@@H+](Cc3ccccc3)C2)C1 ZINC000376892444 428019005 /nfs/dbraw/zinc/01/90/05/428019005.db2.gz NNTCIVHLZRWDOG-MTFMMBMASA-N 2 1 312.457 2.566 20 0 DFADMP OC[C@H]1C=C[C@@H](N[C@H]2C[C@H](C3CC3)[N@H+](Cc3ccccc3)C2)C1 ZINC000376892446 428020424 /nfs/dbraw/zinc/02/04/24/428020424.db2.gz NNTCIVHLZRWDOG-OJAHFUOMSA-N 2 1 312.457 2.566 20 0 DFADMP OC[C@H]1C=C[C@@H](N[C@H]2C[C@H](C3CC3)[N@@H+](Cc3ccccc3)C2)C1 ZINC000376892446 428020429 /nfs/dbraw/zinc/02/04/29/428020429.db2.gz NNTCIVHLZRWDOG-OJAHFUOMSA-N 2 1 312.457 2.566 20 0 DFADMP Cn1ccnc1-c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000369840224 428073207 /nfs/dbraw/zinc/07/32/07/428073207.db2.gz KGGAIKRSVGBNFV-ROUUACIJSA-N 2 1 310.445 2.804 20 0 DFADMP Cc1ncccc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000369854860 428075812 /nfs/dbraw/zinc/07/58/12/428075812.db2.gz ANUJKKQITQLDPU-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP Cc1ncccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000369854860 428075815 /nfs/dbraw/zinc/07/58/15/428075815.db2.gz ANUJKKQITQLDPU-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP Cc1ncccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000369854860 428075816 /nfs/dbraw/zinc/07/58/16/428075816.db2.gz ANUJKKQITQLDPU-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP Cc1ncccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369854860 428075819 /nfs/dbraw/zinc/07/58/19/428075819.db2.gz ANUJKKQITQLDPU-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP Cc1ncccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000369854860 428075821 /nfs/dbraw/zinc/07/58/21/428075821.db2.gz ANUJKKQITQLDPU-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCOCC(F)(F)C(F)F)CC1 ZINC000346246132 428089812 /nfs/dbraw/zinc/08/98/12/428089812.db2.gz NTSKIMUVQYRHPE-UHFFFAOYSA-N 2 1 314.367 2.708 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000351582124 428101436 /nfs/dbraw/zinc/10/14/36/428101436.db2.gz PMQOMOJHHMYQBG-QYZOEREBSA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000351582124 428101444 /nfs/dbraw/zinc/10/14/44/428101444.db2.gz PMQOMOJHHMYQBG-QYZOEREBSA-N 2 1 302.462 2.758 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859719 428113196 /nfs/dbraw/zinc/11/31/96/428113196.db2.gz GXVDVVUIUMQFGE-ABHRYQDASA-N 2 1 323.868 2.575 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859719 428113201 /nfs/dbraw/zinc/11/32/01/428113201.db2.gz GXVDVVUIUMQFGE-ABHRYQDASA-N 2 1 323.868 2.575 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCc1nccs1 ZINC000360056385 428137403 /nfs/dbraw/zinc/13/74/03/428137403.db2.gz HFWLNDWBKKVGDV-BZUAXINKSA-N 2 1 323.506 2.555 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000346360628 428140620 /nfs/dbraw/zinc/14/06/20/428140620.db2.gz JGLAFRRCRFZMPF-FYQPLNBISA-N 2 1 314.473 2.913 20 0 DFADMP CN(C(=O)C1=CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000341610868 428129103 /nfs/dbraw/zinc/12/91/03/428129103.db2.gz LOUPFAJMUPHENN-ROUUACIJSA-N 2 1 319.493 2.502 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346374802 428147974 /nfs/dbraw/zinc/14/79/74/428147974.db2.gz BMJCPZGBDREXHA-ZBFHGGJFSA-N 2 1 303.450 2.725 20 0 DFADMP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000370169282 428148737 /nfs/dbraw/zinc/14/87/37/428148737.db2.gz NSGBAFKTOGDXCM-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000370169282 428148741 /nfs/dbraw/zinc/14/87/41/428148741.db2.gz NSGBAFKTOGDXCM-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000370169282 428148749 /nfs/dbraw/zinc/14/87/49/428148749.db2.gz NSGBAFKTOGDXCM-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000370169282 428148754 /nfs/dbraw/zinc/14/87/54/428148754.db2.gz NSGBAFKTOGDXCM-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000370164693 428148955 /nfs/dbraw/zinc/14/89/55/428148955.db2.gz XYOCDCFMJRRXLR-IUODEOHRSA-N 2 1 315.446 2.772 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)o1 ZINC000360095906 428159368 /nfs/dbraw/zinc/15/93/68/428159368.db2.gz OCPDUVFJDOVQKV-OAHLLOKOSA-N 2 1 300.406 2.753 20 0 DFADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370265416 428171231 /nfs/dbraw/zinc/17/12/31/428171231.db2.gz HKYZJXBXLSEJAJ-SFHVURJKSA-N 2 1 321.896 2.940 20 0 DFADMP C[N@H+](C[C@@H](O)c1cccc(Cl)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377646964 428181712 /nfs/dbraw/zinc/18/17/12/428181712.db2.gz SBSIYWFEAZKGNF-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377646964 428181716 /nfs/dbraw/zinc/18/17/16/428181716.db2.gz SBSIYWFEAZKGNF-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP CC[C@H](C)[C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000356498859 428206089 /nfs/dbraw/zinc/20/60/89/428206089.db2.gz ACQPWVPBVTUEHC-YESZJQIVSA-N 2 1 311.514 2.543 20 0 DFADMP C[C@H]1CCC[C@@](CNCc2ncc(C[NH+](C)C)s2)([NH+](C)C)C1 ZINC000352768417 428240649 /nfs/dbraw/zinc/24/06/49/428240649.db2.gz FMEJRYYSAFFGQB-WMLDXEAASA-N 2 1 324.538 2.805 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000414110323 428209543 /nfs/dbraw/zinc/20/95/43/428209543.db2.gz ICNNAIUFIPRLRD-GDBMZVCRSA-N 2 1 303.450 2.628 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000414110323 428209548 /nfs/dbraw/zinc/20/95/48/428209548.db2.gz ICNNAIUFIPRLRD-GDBMZVCRSA-N 2 1 303.450 2.628 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414124206 428211822 /nfs/dbraw/zinc/21/18/22/428211822.db2.gz PFNULSHGRKVQOZ-RDJZCZTQSA-N 2 1 305.466 2.731 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000356517014 428212447 /nfs/dbraw/zinc/21/24/47/428212447.db2.gz GAPILWASZNHKMN-AQNXPRMDSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000356517014 428212451 /nfs/dbraw/zinc/21/24/51/428212451.db2.gz GAPILWASZNHKMN-AQNXPRMDSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000356517014 428212458 /nfs/dbraw/zinc/21/24/58/428212458.db2.gz GAPILWASZNHKMN-AQNXPRMDSA-N 2 1 314.473 2.867 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000414131023 428214751 /nfs/dbraw/zinc/21/47/51/428214751.db2.gz YMGKCZOAWJDQNU-MFKWGIFDSA-N 2 1 314.473 2.933 20 0 DFADMP Cn1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000356524858 428218175 /nfs/dbraw/zinc/21/81/75/428218175.db2.gz NDIZOHCABLFWDF-VQTJNVASSA-N 2 1 309.457 2.979 20 0 DFADMP Cn1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000356524858 428218179 /nfs/dbraw/zinc/21/81/79/428218179.db2.gz NDIZOHCABLFWDF-VQTJNVASSA-N 2 1 309.457 2.979 20 0 DFADMP Cc1nnc([C@H]2CC23CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC3)o1 ZINC000370496220 428222698 /nfs/dbraw/zinc/22/26/98/428222698.db2.gz LSECVOZCYAMNBU-JKSUJKDBSA-N 2 1 318.465 2.822 20 0 DFADMP Cc1nnc([C@H]2CC23CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC3)o1 ZINC000370496220 428222702 /nfs/dbraw/zinc/22/27/02/428222702.db2.gz LSECVOZCYAMNBU-JKSUJKDBSA-N 2 1 318.465 2.822 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000414168670 428222856 /nfs/dbraw/zinc/22/28/56/428222856.db2.gz APFWJWSTRAGNRD-CYBMUJFWSA-N 2 1 303.406 2.774 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000414172742 428225146 /nfs/dbraw/zinc/22/51/46/428225146.db2.gz FGCFVWINFCKNPW-IXDOHACOSA-N 2 1 304.482 2.768 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000414172740 428225722 /nfs/dbraw/zinc/22/57/22/428225722.db2.gz FGCFVWINFCKNPW-BRWVUGGUSA-N 2 1 304.482 2.768 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414184679 428227755 /nfs/dbraw/zinc/22/77/55/428227755.db2.gz OCSCKBCIGRYGEN-OLZOCXBDSA-N 2 1 310.463 2.917 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000414187582 428228995 /nfs/dbraw/zinc/22/89/95/428228995.db2.gz QBITYAPASNRWBP-HOTGVXAUSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000414189246 428230606 /nfs/dbraw/zinc/23/06/06/428230606.db2.gz RESXNOGINVXBJA-VFCRVFHLSA-N 2 1 308.491 2.807 20 0 DFADMP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccn(C)n1 ZINC000414196032 428230752 /nfs/dbraw/zinc/23/07/52/428230752.db2.gz VMUZCGAMXCXOAE-GJZGRUSLSA-N 2 1 316.449 2.772 20 0 DFADMP CCc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000352756158 428233788 /nfs/dbraw/zinc/23/37/88/428233788.db2.gz OLYMGXDHVDAREU-IYBDPMFKSA-N 2 1 305.466 2.623 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCCC3)s1 ZINC000352757602 428233925 /nfs/dbraw/zinc/23/39/25/428233925.db2.gz GCMYTGGFIVZKHE-BMFZPTHFSA-N 2 1 321.490 2.642 20 0 DFADMP C[N@@H+](Cc1nnc(-c2ccccc2)o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377686212 428193836 /nfs/dbraw/zinc/19/38/36/428193836.db2.gz JXTAMXFJFNJNBG-AWEZNQCLSA-N 2 1 323.400 2.628 20 0 DFADMP C[N@H+](Cc1nnc(-c2ccccc2)o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377686212 428193840 /nfs/dbraw/zinc/19/38/40/428193840.db2.gz JXTAMXFJFNJNBG-AWEZNQCLSA-N 2 1 323.400 2.628 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[C@H]1C ZINC000414068392 428195277 /nfs/dbraw/zinc/19/52/77/428195277.db2.gz BAQMRFXWYJKGPB-ZDMKNRLGSA-N 2 1 302.462 2.504 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[C@H]1C ZINC000414068392 428195282 /nfs/dbraw/zinc/19/52/82/428195282.db2.gz BAQMRFXWYJKGPB-ZDMKNRLGSA-N 2 1 302.462 2.504 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCn2ccnc2C1 ZINC000377688025 428197394 /nfs/dbraw/zinc/19/73/94/428197394.db2.gz VSEOXODFJSZWRY-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377688025 428197403 /nfs/dbraw/zinc/19/74/03/428197403.db2.gz VSEOXODFJSZWRY-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP Cc1cccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000377698338 428199567 /nfs/dbraw/zinc/19/95/67/428199567.db2.gz MKQQWUXZRRNTQU-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1cccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1C ZINC000377698338 428199569 /nfs/dbraw/zinc/19/95/69/428199569.db2.gz MKQQWUXZRRNTQU-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000370654438 428264147 /nfs/dbraw/zinc/26/41/47/428264147.db2.gz SXDWUJSLRVHVMF-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000370654438 428264150 /nfs/dbraw/zinc/26/41/50/428264150.db2.gz SXDWUJSLRVHVMF-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000370654438 428264157 /nfs/dbraw/zinc/26/41/57/428264157.db2.gz SXDWUJSLRVHVMF-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346668526 428266107 /nfs/dbraw/zinc/26/61/07/428266107.db2.gz IUEFNZCKCYHOLQ-AEFFLSMTSA-N 2 1 303.494 2.814 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000346684177 428274330 /nfs/dbraw/zinc/27/43/30/428274330.db2.gz RHRJBVBDZPDJQY-KRWDZBQOSA-N 2 1 316.449 2.891 20 0 DFADMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000370723188 428283395 /nfs/dbraw/zinc/28/33/95/428283395.db2.gz SOYVSQARKFCKMP-JKSUJKDBSA-N 2 1 311.429 2.660 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000360417048 428289896 /nfs/dbraw/zinc/28/98/96/428289896.db2.gz PSWPVQLRLHCTIF-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)c1 ZINC000360417048 428289899 /nfs/dbraw/zinc/28/98/99/428289899.db2.gz PSWPVQLRLHCTIF-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342091803 428297383 /nfs/dbraw/zinc/29/73/83/428297383.db2.gz CSXMSAROECQCOH-LUKYLMHMSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000342091803 428297385 /nfs/dbraw/zinc/29/73/85/428297385.db2.gz CSXMSAROECQCOH-LUKYLMHMSA-N 2 1 315.461 2.690 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356589997 428242820 /nfs/dbraw/zinc/24/28/20/428242820.db2.gz BBQZEXVZHLVEHR-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356589997 428242826 /nfs/dbraw/zinc/24/28/26/428242826.db2.gz BBQZEXVZHLVEHR-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000341896657 428243575 /nfs/dbraw/zinc/24/35/75/428243575.db2.gz IWVIESAMNGSRHP-YQQAZPJKSA-N 2 1 306.450 2.530 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000341896657 428243581 /nfs/dbraw/zinc/24/35/81/428243581.db2.gz IWVIESAMNGSRHP-YQQAZPJKSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@H]1CCC[N@@H+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352781227 428244745 /nfs/dbraw/zinc/24/47/45/428244745.db2.gz SIXNMHNABINABP-AWEZNQCLSA-N 2 1 324.538 2.805 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352781227 428244751 /nfs/dbraw/zinc/24/47/51/428244751.db2.gz SIXNMHNABINABP-AWEZNQCLSA-N 2 1 324.538 2.805 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858747 428247241 /nfs/dbraw/zinc/24/72/41/428247241.db2.gz BIWVWMWOKJXBRR-ZIAGYGMSSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858747 428247245 /nfs/dbraw/zinc/24/72/45/428247245.db2.gz BIWVWMWOKJXBRR-ZIAGYGMSSA-N 2 1 315.417 2.853 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000414275040 428248200 /nfs/dbraw/zinc/24/82/00/428248200.db2.gz VVJLBYPXEWPYMD-KFKAGJAMSA-N 2 1 302.462 2.912 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)C1CC1 ZINC000414275040 428248208 /nfs/dbraw/zinc/24/82/08/428248208.db2.gz VVJLBYPXEWPYMD-KFKAGJAMSA-N 2 1 302.462 2.912 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377862108 428248445 /nfs/dbraw/zinc/24/84/45/428248445.db2.gz VHYTYJKRMKUFBP-HNNXBMFYSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377862108 428248448 /nfs/dbraw/zinc/24/84/48/428248448.db2.gz VHYTYJKRMKUFBP-HNNXBMFYSA-N 2 1 312.417 2.536 20 0 DFADMP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377861501 428249253 /nfs/dbraw/zinc/24/92/53/428249253.db2.gz RRGTXOWIKIAENY-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377861501 428249258 /nfs/dbraw/zinc/24/92/58/428249258.db2.gz RRGTXOWIKIAENY-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000370608338 428251628 /nfs/dbraw/zinc/25/16/28/428251628.db2.gz KEMGSCOZRQSXQI-LZQZEXGQSA-N 2 1 320.452 2.847 20 0 DFADMP COCCSCCC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370609949 428252720 /nfs/dbraw/zinc/25/27/20/428252720.db2.gz GWNCUKQASUKNAV-INIZCTEOSA-N 2 1 323.506 2.894 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000414296246 428252799 /nfs/dbraw/zinc/25/27/99/428252799.db2.gz GRYJHMUAWSRKLU-ZDUSSCGKSA-N 2 1 304.413 2.750 20 0 DFADMP COCCSCCC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370609949 428252726 /nfs/dbraw/zinc/25/27/26/428252726.db2.gz GWNCUKQASUKNAV-INIZCTEOSA-N 2 1 323.506 2.894 20 0 DFADMP CC[NH+](CC(C)C[N@H+](CC)C[C@H]1CCCO1)C[C@H]1CCCO1 ZINC000346645913 428253051 /nfs/dbraw/zinc/25/30/51/428253051.db2.gz QIRGUMKQXGFWME-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1(C)C ZINC000370620338 428254111 /nfs/dbraw/zinc/25/41/11/428254111.db2.gz PEEGUHXCWWNMIB-IECFSIQFSA-N 2 1 324.509 2.669 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1(C)C ZINC000370620338 428254114 /nfs/dbraw/zinc/25/41/14/428254114.db2.gz PEEGUHXCWWNMIB-IECFSIQFSA-N 2 1 324.509 2.669 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000352816272 428258891 /nfs/dbraw/zinc/25/88/91/428258891.db2.gz NYGJLEMBUHWGND-OALUTQOASA-N 2 1 300.446 2.621 20 0 DFADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000352816272 428258897 /nfs/dbraw/zinc/25/88/97/428258897.db2.gz NYGJLEMBUHWGND-OALUTQOASA-N 2 1 300.446 2.621 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000352816272 428258902 /nfs/dbraw/zinc/25/89/02/428258902.db2.gz NYGJLEMBUHWGND-OALUTQOASA-N 2 1 300.446 2.621 20 0 DFADMP CC[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000370646573 428261770 /nfs/dbraw/zinc/26/17/70/428261770.db2.gz WKLZOMFOKHDIIW-HUUCEWRRSA-N 2 1 306.454 2.510 20 0 DFADMP CC(C)(O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370649860 428262529 /nfs/dbraw/zinc/26/25/29/428262529.db2.gz IASWUVBVEMAZCN-UHFFFAOYSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356791511 428309200 /nfs/dbraw/zinc/30/92/00/428309200.db2.gz SZSHOISRFBBFOT-JRPNMDOOSA-N 2 1 300.368 2.965 20 0 DFADMP Cn1ncc2c1CCC[N@H+](Cc1cnc3ccc(Cl)cn13)C2 ZINC000414472315 428309462 /nfs/dbraw/zinc/30/94/62/428309462.db2.gz NWHJSCQXZHIVSH-UHFFFAOYSA-N 2 1 315.808 2.670 20 0 DFADMP Cn1ncc2c1CCC[N@@H+](Cc1cnc3ccc(Cl)cn13)C2 ZINC000414472315 428309469 /nfs/dbraw/zinc/30/94/69/428309469.db2.gz NWHJSCQXZHIVSH-UHFFFAOYSA-N 2 1 315.808 2.670 20 0 DFADMP C[N@H+](CCC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000342134170 428316410 /nfs/dbraw/zinc/31/64/10/428316410.db2.gz QBTILFQXWQFMQF-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP C[N@@H+](CCC(C)(C)C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000342134170 428316414 /nfs/dbraw/zinc/31/64/14/428316414.db2.gz QBTILFQXWQFMQF-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](CCC(C)(C)C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342134170 428316419 /nfs/dbraw/zinc/31/64/19/428316419.db2.gz QBTILFQXWQFMQF-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](CCC(C)(C)C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000342134170 428316421 /nfs/dbraw/zinc/31/64/21/428316421.db2.gz QBTILFQXWQFMQF-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP COc1cc2c(c(CN3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c1)O[C@H](C)C2 ZINC000352930308 428316738 /nfs/dbraw/zinc/31/67/38/428316738.db2.gz KBRXJNCXOYXAOU-GLJUWKHASA-N 2 1 316.445 2.545 20 0 DFADMP COC(=O)[C@H]1CCCCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000360485167 428317160 /nfs/dbraw/zinc/31/71/60/428317160.db2.gz STILZJRQTIOWIN-HOTGVXAUSA-N 2 1 307.438 2.683 20 0 DFADMP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC)cc1 ZINC000378167957 428324127 /nfs/dbraw/zinc/32/41/27/428324127.db2.gz YRDSJMMYRHDDBI-WDSOQIARSA-N 2 1 318.461 2.989 20 0 DFADMP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC)cc1 ZINC000378167957 428324130 /nfs/dbraw/zinc/32/41/30/428324130.db2.gz YRDSJMMYRHDDBI-WDSOQIARSA-N 2 1 318.461 2.989 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@@H](C)O[C@@H]3C)sc2C1 ZINC000414514439 428326278 /nfs/dbraw/zinc/32/62/78/428326278.db2.gz LNNYTHSPVJOVIW-MCIONIFRSA-N 2 1 323.506 2.813 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@@H](C)O[C@@H]3C)sc2C1 ZINC000414514439 428326281 /nfs/dbraw/zinc/32/62/81/428326281.db2.gz LNNYTHSPVJOVIW-MCIONIFRSA-N 2 1 323.506 2.813 20 0 DFADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342152818 428326262 /nfs/dbraw/zinc/32/62/62/428326262.db2.gz YTBLABFXXBXGIE-QGTPRVQTSA-N 2 1 304.434 2.523 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@@H]21 ZINC000346813220 428327295 /nfs/dbraw/zinc/32/72/95/428327295.db2.gz ADAMEXVPOWTHQE-CWRNSKLLSA-N 2 1 310.388 2.890 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)C[C@@H]21 ZINC000346813294 428327740 /nfs/dbraw/zinc/32/77/40/428327740.db2.gz AMLNEUVMBZIWHW-MELADBBJSA-N 2 1 316.474 2.832 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346814856 428330593 /nfs/dbraw/zinc/33/05/93/428330593.db2.gz CRCXHVSCWHIVRX-YUTCNCBUSA-N 2 1 318.852 2.786 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346814856 428330598 /nfs/dbraw/zinc/33/05/98/428330598.db2.gz CRCXHVSCWHIVRX-YUTCNCBUSA-N 2 1 318.852 2.786 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]21 ZINC000346823945 428332044 /nfs/dbraw/zinc/33/20/44/428332044.db2.gz KEERQLXTSXHVIZ-XOKHGSTOSA-N 2 1 314.408 2.775 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000378202762 428333116 /nfs/dbraw/zinc/33/31/16/428333116.db2.gz OBRVWZIUCXFHCY-LJQANCHMSA-N 2 1 317.477 2.547 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000356844012 428334561 /nfs/dbraw/zinc/33/45/61/428334561.db2.gz LYIPOGOZOBEQEA-LSDHHAIUSA-N 2 1 319.415 2.620 20 0 DFADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(SC)cc1OC ZINC000346832573 428337061 /nfs/dbraw/zinc/33/70/61/428337061.db2.gz LMEBZHQPNRDEON-RYUDHWBXSA-N 2 1 310.463 2.595 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000346837223 428339781 /nfs/dbraw/zinc/33/97/81/428339781.db2.gz PQJGXBAXEIFCFS-ZBFHGGJFSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)sc2C1 ZINC000346842162 428343259 /nfs/dbraw/zinc/34/32/59/428343259.db2.gz WUPHNSWIKSUSEJ-ZOBORPQBSA-N 2 1 305.491 2.827 20 0 DFADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)sc2C1 ZINC000346842162 428343264 /nfs/dbraw/zinc/34/32/64/428343264.db2.gz WUPHNSWIKSUSEJ-ZOBORPQBSA-N 2 1 305.491 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000360575475 428354689 /nfs/dbraw/zinc/35/46/89/428354689.db2.gz YBSXRQJSDVCFQR-IIDMSEBBSA-N 2 1 305.441 2.582 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575542 428354720 /nfs/dbraw/zinc/35/47/20/428354720.db2.gz YXCCFJMIOXEAAF-PXNSSMCTSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575542 428354724 /nfs/dbraw/zinc/35/47/24/428354724.db2.gz YXCCFJMIOXEAAF-PXNSSMCTSA-N 2 1 315.505 2.828 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cccnc2)CC1 ZINC000346970239 428390668 /nfs/dbraw/zinc/39/06/68/428390668.db2.gz GFDQQECAKACOJW-IBGZPJMESA-N 2 1 316.493 2.635 20 0 DFADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735114 428391498 /nfs/dbraw/zinc/39/14/98/428391498.db2.gz BXUNOHTXSDPCSE-HUUCEWRRSA-N 2 1 306.450 2.914 20 0 DFADMP C[N@H+](CC(=O)NCCCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000357110271 428391995 /nfs/dbraw/zinc/39/19/95/428391995.db2.gz KLGVJHKOXZGBEY-UHFFFAOYSA-N 2 1 317.477 2.501 20 0 DFADMP C[N@@H+](CC(=O)NCCCCC[NH+]1CCCC1)Cc1ccccc1 ZINC000357110271 428392000 /nfs/dbraw/zinc/39/20/00/428392000.db2.gz KLGVJHKOXZGBEY-UHFFFAOYSA-N 2 1 317.477 2.501 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CCNC[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746363 428393677 /nfs/dbraw/zinc/39/36/77/428393677.db2.gz ZDSVMGOJXDWDQZ-CPUCHLNUSA-N 2 1 307.869 2.674 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746363 428393682 /nfs/dbraw/zinc/39/36/82/428393682.db2.gz ZDSVMGOJXDWDQZ-CPUCHLNUSA-N 2 1 307.869 2.674 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378439101 428394021 /nfs/dbraw/zinc/39/40/21/428394021.db2.gz ZYIRNXIKGJSLHA-LJQANCHMSA-N 2 1 315.505 2.763 20 0 DFADMP Cc1cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(C)s1 ZINC000378431237 428394066 /nfs/dbraw/zinc/39/40/66/428394066.db2.gz FCZMQEZZUHRXHT-QGZVFWFLSA-N 2 1 321.534 2.824 20 0 DFADMP C[C@@H]1Oc2cc(F)ccc2[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000342312019 428398245 /nfs/dbraw/zinc/39/82/45/428398245.db2.gz JVZQVSMZWGXGBT-QFYYESIMSA-N 2 1 321.421 2.956 20 0 DFADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)ccc2O1 ZINC000414765354 428399301 /nfs/dbraw/zinc/39/93/01/428399301.db2.gz FSCOALWKHVBCGR-IYBDPMFKSA-N 2 1 300.446 2.832 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771779 428401731 /nfs/dbraw/zinc/40/17/31/428401731.db2.gz AOIXCBJBHALXKV-MSOLQXFVSA-N 2 1 318.461 2.533 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1OC ZINC000414775110 428401808 /nfs/dbraw/zinc/40/18/08/428401808.db2.gz GEZSSASMTFKSMY-HUUCEWRRSA-N 2 1 304.434 2.525 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000414771780 428402418 /nfs/dbraw/zinc/40/24/18/428402418.db2.gz AOIXCBJBHALXKV-QZTJIDSGSA-N 2 1 318.461 2.533 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000414776711 428404702 /nfs/dbraw/zinc/40/47/02/428404702.db2.gz HNFYDPFMRQBGSS-GJZGRUSLSA-N 2 1 314.433 2.800 20 0 DFADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357146150 428407399 /nfs/dbraw/zinc/40/73/99/428407399.db2.gz MKTLUXYCRSSWHT-WMZOPIPTSA-N 2 1 311.404 2.929 20 0 DFADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357146150 428407405 /nfs/dbraw/zinc/40/74/05/428407405.db2.gz MKTLUXYCRSSWHT-WMZOPIPTSA-N 2 1 311.404 2.929 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414781841 428407983 /nfs/dbraw/zinc/40/79/83/428407983.db2.gz NMLWYGVKNMOGJF-ZWKOTPCHSA-N 2 1 310.445 2.694 20 0 DFADMP C[C@@H](Cc1ccccc1)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785432 428408081 /nfs/dbraw/zinc/40/80/81/428408081.db2.gz SRCYOHSVIBSTEQ-WMZOPIPTSA-N 2 1 302.462 2.553 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414784978 428408239 /nfs/dbraw/zinc/40/82/39/428408239.db2.gz RXODUMZWEZBCJW-MSOLQXFVSA-N 2 1 318.461 2.533 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000371889664 428409108 /nfs/dbraw/zinc/40/91/08/428409108.db2.gz ZCAYLMYUYZSXEI-YRXWBPOGSA-N 2 1 324.509 2.815 20 0 DFADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(Cl)cn2)CC1 ZINC000378481598 428409720 /nfs/dbraw/zinc/40/97/20/428409720.db2.gz KEXFZJVWKRLSKI-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1 ZINC000414791226 428412218 /nfs/dbraw/zinc/41/22/18/428412218.db2.gz QSHXPNIHWSRZPJ-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1 ZINC000414791226 428412227 /nfs/dbraw/zinc/41/22/27/428412227.db2.gz QSHXPNIHWSRZPJ-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP CCC(C)(C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371093687 428356751 /nfs/dbraw/zinc/35/67/51/428356751.db2.gz LSDSKSHSBTXOCS-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)[C@@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371090572 428357131 /nfs/dbraw/zinc/35/71/31/428357131.db2.gz SNLNWOHDAIJMJK-MRXNPFEDSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@H]1CCC[C@H](C)[NH+]1CCNc1cc[nH+]cc1Br ZINC000342232388 428360014 /nfs/dbraw/zinc/36/00/14/428360014.db2.gz YQPUHVGASTVMBE-RYUDHWBXSA-N 2 1 312.255 2.941 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673098 428369473 /nfs/dbraw/zinc/36/94/73/428369473.db2.gz QFXKXEPMCDTBCO-GOEBONIOSA-N 2 1 301.438 2.634 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673098 428369477 /nfs/dbraw/zinc/36/94/77/428369477.db2.gz QFXKXEPMCDTBCO-GOEBONIOSA-N 2 1 301.438 2.634 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000414672231 428369906 /nfs/dbraw/zinc/36/99/06/428369906.db2.gz AMPVJKJYZXCZOO-BZUAXINKSA-N 2 1 304.434 2.536 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683231 428374241 /nfs/dbraw/zinc/37/42/41/428374241.db2.gz ZRFFZFLHJUJRAQ-MNOVXSKESA-N 2 1 301.228 2.862 20 0 DFADMP O=C(NC1CCCCC1)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000371179279 428375202 /nfs/dbraw/zinc/37/52/02/428375202.db2.gz XBRMUMVQVKKTJD-QGZVFWFLSA-N 2 1 321.509 2.633 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000353072580 428375512 /nfs/dbraw/zinc/37/55/12/428375512.db2.gz MMEDULHLHYTVRY-HNNXBMFYSA-N 2 1 321.465 2.594 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000353072580 428375519 /nfs/dbraw/zinc/37/55/19/428375519.db2.gz MMEDULHLHYTVRY-HNNXBMFYSA-N 2 1 321.465 2.594 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414688001 428376082 /nfs/dbraw/zinc/37/60/82/428376082.db2.gz CYCXRZQNPFGDKJ-GJYPPUQNSA-N 2 1 302.462 2.746 20 0 DFADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357066985 428376162 /nfs/dbraw/zinc/37/61/62/428376162.db2.gz DHORGJWOXQNHEB-WBVHZDCISA-N 2 1 309.413 2.915 20 0 DFADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357066985 428376168 /nfs/dbraw/zinc/37/61/68/428376168.db2.gz DHORGJWOXQNHEB-WBVHZDCISA-N 2 1 309.413 2.915 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000414687778 428376791 /nfs/dbraw/zinc/37/67/91/428376791.db2.gz IBGRHJAZYPZDFO-ROUUACIJSA-N 2 1 321.509 2.619 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000414694016 428378552 /nfs/dbraw/zinc/37/85/52/428378552.db2.gz NJDMZNPPBOSENX-AEFFLSMTSA-N 2 1 317.477 2.502 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000414694016 428378558 /nfs/dbraw/zinc/37/85/58/428378558.db2.gz NJDMZNPPBOSENX-AEFFLSMTSA-N 2 1 317.477 2.502 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000414693873 428378700 /nfs/dbraw/zinc/37/87/00/428378700.db2.gz MMJGRZXZBAABAW-NUJGCVRESA-N 2 1 315.461 2.502 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000357071969 428379252 /nfs/dbraw/zinc/37/92/52/428379252.db2.gz CXMYJQOAZJGWRN-IAGOWNOFSA-N 2 1 300.446 2.856 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000357071969 428379256 /nfs/dbraw/zinc/37/92/56/428379256.db2.gz CXMYJQOAZJGWRN-IAGOWNOFSA-N 2 1 300.446 2.856 20 0 DFADMP COCCOCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414695923 428379453 /nfs/dbraw/zinc/37/94/53/428379453.db2.gz ADXNHKMIVYLYFM-PKOBYXMFSA-N 2 1 320.477 2.540 20 0 DFADMP CCCCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)CCC ZINC000414700823 428379706 /nfs/dbraw/zinc/37/97/06/428379706.db2.gz ZVPXLEXMQLAASE-IAGOWNOFSA-N 2 1 311.514 2.865 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC000371326339 428382854 /nfs/dbraw/zinc/38/28/54/428382854.db2.gz MIYCGDYAPNQAHK-LJQANCHMSA-N 2 1 300.446 2.774 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC2 ZINC000371326339 428382857 /nfs/dbraw/zinc/38/28/57/428382857.db2.gz MIYCGDYAPNQAHK-LJQANCHMSA-N 2 1 300.446 2.774 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000371326339 428382859 /nfs/dbraw/zinc/38/28/59/428382859.db2.gz MIYCGDYAPNQAHK-LJQANCHMSA-N 2 1 300.446 2.774 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@H]1CCC[NH+]1C)CC2 ZINC000371326339 428382862 /nfs/dbraw/zinc/38/28/62/428382862.db2.gz MIYCGDYAPNQAHK-LJQANCHMSA-N 2 1 300.446 2.774 20 0 DFADMP Cc1cc([C@@H]2C[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)CCO2)ccc1F ZINC000414718550 428386308 /nfs/dbraw/zinc/38/63/08/428386308.db2.gz ZHNZEYMXQFILQK-VKJFTORMSA-N 2 1 306.425 2.896 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC(F)F ZINC000414852049 428433804 /nfs/dbraw/zinc/43/38/04/428433804.db2.gz QCRGGCWXLXIHFX-GFCCVEGCSA-N 2 1 302.365 2.760 20 0 DFADMP Cc1ccc2ncc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)n2c1 ZINC000360777131 428434253 /nfs/dbraw/zinc/43/42/53/428434253.db2.gz KBMCQDXXEXFVGA-NXHRZFHOSA-N 2 1 310.445 2.559 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000347077279 428434401 /nfs/dbraw/zinc/43/44/01/428434401.db2.gz VIRLRWRXHBURST-OAHLLOKOSA-N 2 1 316.424 2.670 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000347077279 428434405 /nfs/dbraw/zinc/43/44/05/428434405.db2.gz VIRLRWRXHBURST-OAHLLOKOSA-N 2 1 316.424 2.670 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414856712 428436457 /nfs/dbraw/zinc/43/64/57/428436457.db2.gz ZJJSRBQMQYCERX-AEFFLSMTSA-N 2 1 306.450 2.707 20 0 DFADMP COc1cc(C[NH2+][C@H](C[NH3+])CC(C)C)ccc1OC(F)F ZINC000414854520 428436860 /nfs/dbraw/zinc/43/68/60/428436860.db2.gz VCGNLHMYWFBYLR-LBPRGKRZSA-N 2 1 302.365 2.760 20 0 DFADMP COc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1OC ZINC000360791966 428440272 /nfs/dbraw/zinc/44/02/72/428440272.db2.gz RGWIJKYZONTDPO-IXDOHACOSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1OC ZINC000360791966 428440276 /nfs/dbraw/zinc/44/02/76/428440276.db2.gz RGWIJKYZONTDPO-IXDOHACOSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1OC ZINC000360791966 428440283 /nfs/dbraw/zinc/44/02/83/428440283.db2.gz RGWIJKYZONTDPO-IXDOHACOSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1OC ZINC000360791966 428440289 /nfs/dbraw/zinc/44/02/89/428440289.db2.gz RGWIJKYZONTDPO-IXDOHACOSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1OC ZINC000360791966 428440298 /nfs/dbraw/zinc/44/02/98/428440298.db2.gz RGWIJKYZONTDPO-IXDOHACOSA-N 2 1 316.445 2.620 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347086923 428440323 /nfs/dbraw/zinc/44/03/23/428440323.db2.gz DBPZPOVSOHBRSZ-ZDUSSCGKSA-N 2 1 302.340 2.798 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225748 428442577 /nfs/dbraw/zinc/44/25/77/428442577.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357225748 428442583 /nfs/dbraw/zinc/44/25/83/428442583.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357225748 428442589 /nfs/dbraw/zinc/44/25/89/428442589.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225748 428442594 /nfs/dbraw/zinc/44/25/94/428442594.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225748 428442599 /nfs/dbraw/zinc/44/25/99/428442599.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357225748 428442605 /nfs/dbraw/zinc/44/26/05/428442605.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357225748 428442608 /nfs/dbraw/zinc/44/26/08/428442608.db2.gz BLKSBECMQJIWDK-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC(F)(F)CC1 ZINC000353237724 428443476 /nfs/dbraw/zinc/44/34/76/428443476.db2.gz UIYLPWFVDIUFEZ-CYBMUJFWSA-N 2 1 304.425 2.637 20 0 DFADMP Fc1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc(F)c1F ZINC000414882196 428443487 /nfs/dbraw/zinc/44/34/87/428443487.db2.gz RXUNPZXENGVBMS-UHFFFAOYSA-N 2 1 309.335 2.768 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347098893 428444828 /nfs/dbraw/zinc/44/48/28/428444828.db2.gz IXAYDEHCLHVTJI-KZULUSFZSA-N 2 1 316.424 2.797 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347098893 428444832 /nfs/dbraw/zinc/44/48/32/428444832.db2.gz IXAYDEHCLHVTJI-KZULUSFZSA-N 2 1 316.424 2.797 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(SC)cc1OC ZINC000347098999 428445346 /nfs/dbraw/zinc/44/53/46/428445346.db2.gz JBYDNQYASOGUGH-CHWSQXEVSA-N 2 1 324.490 2.985 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(SC)cc1OC ZINC000347098999 428445349 /nfs/dbraw/zinc/44/53/49/428445349.db2.gz JBYDNQYASOGUGH-CHWSQXEVSA-N 2 1 324.490 2.985 20 0 DFADMP FC(F)Oc1cccc(C[NH2+]CCC[NH2+]Cc2cccnc2)c1 ZINC000414887916 428447168 /nfs/dbraw/zinc/44/71/68/428447168.db2.gz XJEZVPPHGHXKPX-UHFFFAOYSA-N 2 1 321.371 2.953 20 0 DFADMP C[C@@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000414901342 428449064 /nfs/dbraw/zinc/44/90/64/428449064.db2.gz GDFARDSIEQYQPM-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347109556 428449864 /nfs/dbraw/zinc/44/98/64/428449864.db2.gz NOSVBOMTKSKYED-SFHVURJKSA-N 2 1 311.429 2.831 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357240508 428451337 /nfs/dbraw/zinc/45/13/37/428451337.db2.gz VHPRAQLQXCBYOH-IEZWGBDMSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2n[nH]cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357240511 428451709 /nfs/dbraw/zinc/45/17/09/428451709.db2.gz VHPRAQLQXCBYOH-WDYCEAGBSA-N 2 1 324.472 2.767 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000372538014 428457708 /nfs/dbraw/zinc/45/77/08/428457708.db2.gz KOBMRWXUDCLUPQ-MRXNPFEDSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000372538014 428457713 /nfs/dbraw/zinc/45/77/13/428457713.db2.gz KOBMRWXUDCLUPQ-MRXNPFEDSA-N 2 1 312.417 2.536 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000414929277 428459784 /nfs/dbraw/zinc/45/97/84/428459784.db2.gz RFXSSBUKLKNIJZ-NWDGAFQWSA-N 2 1 301.203 2.948 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000342801232 428461157 /nfs/dbraw/zinc/46/11/57/428461157.db2.gz WPTVRFSZXFGIKW-GMBSWORKSA-N 2 1 317.477 2.513 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000342801232 428461161 /nfs/dbraw/zinc/46/11/61/428461161.db2.gz WPTVRFSZXFGIKW-GMBSWORKSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414928179 428461248 /nfs/dbraw/zinc/46/12/48/428461248.db2.gz MPIAIXSJBFSYEG-VNVJMFPYSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347137369 428462253 /nfs/dbraw/zinc/46/22/53/428462253.db2.gz UGQQDKZFUTXWQK-STQMWFEESA-N 2 1 302.397 2.775 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347137369 428462259 /nfs/dbraw/zinc/46/22/59/428462259.db2.gz UGQQDKZFUTXWQK-STQMWFEESA-N 2 1 302.397 2.775 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc(Cl)c1OC ZINC000414936105 428463258 /nfs/dbraw/zinc/46/32/58/428463258.db2.gz BGXNMUNYOARLJE-BXUZGUMPSA-N 2 1 312.841 2.835 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1coc(-c3ccccc3)n1)C2 ZINC000372577255 428465027 /nfs/dbraw/zinc/46/50/27/428465027.db2.gz MXSNJDBGPAISMP-AWEZNQCLSA-N 2 1 308.385 2.890 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414952771 428468956 /nfs/dbraw/zinc/46/89/56/428468956.db2.gz JBTLNPWEHKTNMT-RISCZKNCSA-N 2 1 310.825 2.589 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CC12CCOCC2 ZINC000414797857 428417097 /nfs/dbraw/zinc/41/70/97/428417097.db2.gz YXEZNMYPFQSYMQ-OAHLLOKOSA-N 2 1 300.402 2.620 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000347038510 428418016 /nfs/dbraw/zinc/41/80/16/428418016.db2.gz IGKPEFDJBQNMKJ-UHFFFAOYSA-N 2 1 304.825 2.914 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1cccc(Cl)c1)C1CC[NH2+]CC1 ZINC000347038510 428418022 /nfs/dbraw/zinc/41/80/22/428418022.db2.gz IGKPEFDJBQNMKJ-UHFFFAOYSA-N 2 1 304.825 2.914 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000414807088 428419334 /nfs/dbraw/zinc/41/93/34/428419334.db2.gz QSGIZJBQOOEPEM-ZYHUDNBSSA-N 2 1 313.239 2.762 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000414818368 428420829 /nfs/dbraw/zinc/42/08/29/428420829.db2.gz VKRYUKUETKSFJH-GFCCVEGCSA-N 2 1 302.365 2.904 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1[NH3+] ZINC000347043418 428421206 /nfs/dbraw/zinc/42/12/06/428421206.db2.gz MQYJLZKLULBQGT-BEFAXECRSA-N 2 1 311.429 2.830 20 0 DFADMP COc1ccc2nc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)sc2c1 ZINC000414818581 428422451 /nfs/dbraw/zinc/42/24/51/428422451.db2.gz FMOSQFZRYFNQGX-RYUDHWBXSA-N 2 1 305.447 2.783 20 0 DFADMP CCOC(=O)[C@H](CC)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540901 428424531 /nfs/dbraw/zinc/42/45/31/428424531.db2.gz QZXKBEGGMUSTLM-KRWDZBQOSA-N 2 1 319.449 2.572 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000378568716 428427590 /nfs/dbraw/zinc/42/75/90/428427590.db2.gz PAGCKNWYMBSOPN-GJZGRUSLSA-N 2 1 322.522 2.822 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000378568716 428427597 /nfs/dbraw/zinc/42/75/97/428427597.db2.gz PAGCKNWYMBSOPN-GJZGRUSLSA-N 2 1 322.522 2.822 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000414830647 428428474 /nfs/dbraw/zinc/42/84/74/428428474.db2.gz CFRQILQEFDSUEH-GFCCVEGCSA-N 2 1 306.841 2.779 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000347057360 428429300 /nfs/dbraw/zinc/42/93/00/428429300.db2.gz VTKJZJIEQCFWGE-ABAIWWIYSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000347057360 428429304 /nfs/dbraw/zinc/42/93/04/428429304.db2.gz VTKJZJIEQCFWGE-ABAIWWIYSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414840736 428430168 /nfs/dbraw/zinc/43/01/68/428430168.db2.gz HFDASAUSNKQCFB-GXFFZTMASA-N 2 1 315.230 2.861 20 0 DFADMP CCn1cc(CN2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)cn1 ZINC000360776933 428432293 /nfs/dbraw/zinc/43/22/93/428432293.db2.gz ILQIUDOPRVLWRU-OTWHNJEPSA-N 2 1 310.445 2.638 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1F ZINC000391142000 428479290 /nfs/dbraw/zinc/47/92/90/428479290.db2.gz SIPOOOZTSWAMGL-GOEBONIOSA-N 2 1 319.424 2.618 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201802 428480350 /nfs/dbraw/zinc/48/03/50/428480350.db2.gz JOGUESHMPXDKFH-HZPDHXFCSA-N 2 1 323.481 2.531 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000392221473 428481087 /nfs/dbraw/zinc/48/10/87/428481087.db2.gz ZVFAEFDYTVFFML-INIZCTEOSA-N 2 1 323.481 2.628 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000392221474 428481531 /nfs/dbraw/zinc/48/15/31/428481531.db2.gz ZVFAEFDYTVFFML-MRXNPFEDSA-N 2 1 323.481 2.628 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347186599 428486257 /nfs/dbraw/zinc/48/62/57/428486257.db2.gz BZKARRGQAMMGHG-ZBFHGGJFSA-N 2 1 312.417 2.828 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)[C@H](C)[NH3+] ZINC000415012777 428488977 /nfs/dbraw/zinc/48/89/77/428488977.db2.gz JYPRCPIDJZBZRA-WDEREUQCSA-N 2 1 312.339 2.716 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC000415012370 428489065 /nfs/dbraw/zinc/48/90/65/428489065.db2.gz XAPWKQWNPFSYIN-LLVKDONJSA-N 2 1 304.768 2.683 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000415009922 428489396 /nfs/dbraw/zinc/48/93/96/428489396.db2.gz XUAXDCXNXMSEPB-OIISXLGYSA-N 2 1 323.431 2.656 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])cc2)cs1 ZINC000415019151 428490621 /nfs/dbraw/zinc/49/06/21/428490621.db2.gz ROKAOKXDJHXKAR-NEPJUHHUSA-N 2 1 305.447 2.856 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415027736 428493161 /nfs/dbraw/zinc/49/31/61/428493161.db2.gz BKTHBBPWOZADAF-XGXHKWSGSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415027736 428493166 /nfs/dbraw/zinc/49/31/66/428493166.db2.gz BKTHBBPWOZADAF-XGXHKWSGSA-N 3 1 301.478 2.757 20 0 DFADMP C[N@@H+](CCOCC(F)F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372722464 428493361 /nfs/dbraw/zinc/49/33/61/428493361.db2.gz FZMMDFKFLBQEDD-UHFFFAOYSA-N 2 1 313.392 2.512 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1 ZINC000347216022 428495127 /nfs/dbraw/zinc/49/51/27/428495127.db2.gz QZMNMILKIFAWRV-DZGCQCFKSA-N 2 1 314.433 2.645 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000395368817 428496671 /nfs/dbraw/zinc/49/66/71/428496671.db2.gz OBZAYSHSELGOCX-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000395368817 428496676 /nfs/dbraw/zinc/49/66/76/428496676.db2.gz OBZAYSHSELGOCX-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000395368817 428496680 /nfs/dbraw/zinc/49/66/80/428496680.db2.gz OBZAYSHSELGOCX-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368817 428496687 /nfs/dbraw/zinc/49/66/87/428496687.db2.gz OBZAYSHSELGOCX-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368817 428496691 /nfs/dbraw/zinc/49/66/91/428496691.db2.gz OBZAYSHSELGOCX-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415045966 428497220 /nfs/dbraw/zinc/49/72/20/428497220.db2.gz URSOSPNTVWTUSR-ZWKOTPCHSA-N 3 1 303.494 2.862 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415045966 428497224 /nfs/dbraw/zinc/49/72/24/428497224.db2.gz URSOSPNTVWTUSR-ZWKOTPCHSA-N 2 1 303.494 2.862 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415052256 428500032 /nfs/dbraw/zinc/50/00/32/428500032.db2.gz MZLMFEOIIJBLAL-RDJZCZTQSA-N 2 1 318.461 2.976 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OCC ZINC000415052027 428500490 /nfs/dbraw/zinc/50/04/90/428500490.db2.gz GRWLNWXDVJSHFY-RDTXWAMCSA-N 2 1 306.450 2.901 20 0 DFADMP Clc1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415053834 428500599 /nfs/dbraw/zinc/50/05/99/428500599.db2.gz MXGQADQOIISDQZ-UHFFFAOYSA-N 2 1 307.869 2.646 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC000360947539 428504187 /nfs/dbraw/zinc/50/41/87/428504187.db2.gz NWVDKRABBSIACQ-MSOLQXFVSA-N 2 1 323.525 2.735 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415055015 428504917 /nfs/dbraw/zinc/50/49/17/428504917.db2.gz QOWKQCHZRFVACH-ZWKOTPCHSA-N 2 1 314.477 2.646 20 0 DFADMP C[C@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000415060361 428507348 /nfs/dbraw/zinc/50/73/48/428507348.db2.gz WMLUDOGJXUTPRC-IPJUCJBFSA-N 2 1 301.478 2.596 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C[C@@H](O)C[NH3+] ZINC000415071938 428508404 /nfs/dbraw/zinc/50/84/04/428508404.db2.gz UWDODGPNUDITBL-HNNXBMFYSA-N 2 1 322.355 2.509 20 0 DFADMP C[N@H+](Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C[C@@H](O)C[NH3+] ZINC000415071938 428508411 /nfs/dbraw/zinc/50/84/11/428508411.db2.gz UWDODGPNUDITBL-HNNXBMFYSA-N 2 1 322.355 2.509 20 0 DFADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415068456 428509155 /nfs/dbraw/zinc/50/91/55/428509155.db2.gz RBJXEBCARVAHSZ-GUYCJALGSA-N 2 1 319.449 2.519 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1C[NH3+] ZINC000397433054 428509458 /nfs/dbraw/zinc/50/94/58/428509458.db2.gz ZUIZOAYWOFHJJW-JHJVBQTASA-N 2 1 306.841 2.793 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1C[NH3+] ZINC000397433054 428509462 /nfs/dbraw/zinc/50/94/62/428509462.db2.gz ZUIZOAYWOFHJJW-JHJVBQTASA-N 2 1 306.841 2.793 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000360957824 428510554 /nfs/dbraw/zinc/51/05/54/428510554.db2.gz NYBIGAVVAGVINB-OWCLPIDISA-N 2 1 311.514 2.780 20 0 DFADMP Brc1cccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCC2)c1 ZINC000415074955 428510681 /nfs/dbraw/zinc/51/06/81/428510681.db2.gz DDIOGAZCZVHPMR-CQSZACIVSA-N 2 1 309.251 2.822 20 0 DFADMP C[N@@H+](CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCC1 ZINC000415079783 428512416 /nfs/dbraw/zinc/51/24/16/428512416.db2.gz KPDWHCUJOMGHEL-HKUYNNGSSA-N 2 1 301.478 2.944 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398011188 428513879 /nfs/dbraw/zinc/51/38/79/428513879.db2.gz DBFLUAPPVXKBDN-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398011188 428513888 /nfs/dbraw/zinc/51/38/88/428513888.db2.gz DBFLUAPPVXKBDN-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398011188 428513892 /nfs/dbraw/zinc/51/38/92/428513892.db2.gz DBFLUAPPVXKBDN-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP COc1ccc(F)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000360964244 428514014 /nfs/dbraw/zinc/51/40/14/428514014.db2.gz OQUPNOJOPNJXGK-GASCZTMLSA-N 2 1 324.440 2.813 20 0 DFADMP C[C@@]1(C[NH2+]Cc2csc(Br)c2)CCC[NH2+]C1 ZINC000398021858 428516341 /nfs/dbraw/zinc/51/63/41/428516341.db2.gz AQJWEJGUXDXBMK-GFCCVEGCSA-N 2 1 303.269 2.990 20 0 DFADMP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000398067499 428517310 /nfs/dbraw/zinc/51/73/10/428517310.db2.gz HYUCQORXIXPDOL-VQIMIIECSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+]1C ZINC000357408552 428520248 /nfs/dbraw/zinc/52/02/48/428520248.db2.gz GOGSAXMVLPPVOB-WQVCFCJDSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+]1C ZINC000357408552 428520253 /nfs/dbraw/zinc/52/02/53/428520253.db2.gz GOGSAXMVLPPVOB-WQVCFCJDSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000415103630 428520874 /nfs/dbraw/zinc/52/08/74/428520874.db2.gz KRAOJWYYEAGDKZ-CYBMUJFWSA-N 2 1 304.463 2.711 20 0 DFADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353401874 428521673 /nfs/dbraw/zinc/52/16/73/428521673.db2.gz ISLASARVDYCNGQ-ZNMIVQPWSA-N 2 1 306.454 2.588 20 0 DFADMP CCCCCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415113984 428524386 /nfs/dbraw/zinc/52/43/86/428524386.db2.gz SHZZYYIUPNXMHX-SFHVURJKSA-N 2 1 306.450 2.805 20 0 DFADMP CCCCCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415113984 428524393 /nfs/dbraw/zinc/52/43/93/428524393.db2.gz SHZZYYIUPNXMHX-SFHVURJKSA-N 2 1 306.450 2.805 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CCCO1 ZINC000415118528 428526457 /nfs/dbraw/zinc/52/64/57/428526457.db2.gz YJEPRZXSHDDBHW-SFHVURJKSA-N 2 1 304.434 2.558 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CCCO1 ZINC000415118528 428526465 /nfs/dbraw/zinc/52/64/65/428526465.db2.gz YJEPRZXSHDDBHW-SFHVURJKSA-N 2 1 304.434 2.558 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CCCO1 ZINC000415118485 428527725 /nfs/dbraw/zinc/52/77/25/428527725.db2.gz YHLPQWAKLGXNGM-MRXNPFEDSA-N 2 1 302.443 2.965 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CCCO1 ZINC000415118485 428527730 /nfs/dbraw/zinc/52/77/30/428527730.db2.gz YHLPQWAKLGXNGM-MRXNPFEDSA-N 2 1 302.443 2.965 20 0 DFADMP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399004828 428532171 /nfs/dbraw/zinc/53/21/71/428532171.db2.gz WUTAYZIQZWRNAH-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127440 428530220 /nfs/dbraw/zinc/53/02/20/428530220.db2.gz NBUDIAZJPDGXGF-MAUKXSAKSA-N 2 1 319.497 2.980 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414954597 428471130 /nfs/dbraw/zinc/47/11/30/428471130.db2.gz STVCRJDZYVPWPL-KOLCDFICSA-N 2 1 301.203 2.818 20 0 DFADMP COC[C@@]1(C[NH2+]CCCc2c(F)cccc2Cl)CCC[NH2+]1 ZINC000414958217 428471459 /nfs/dbraw/zinc/47/14/59/428471459.db2.gz RDHLVNJKTAJIKJ-INIZCTEOSA-N 2 1 314.832 2.770 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000342847431 428473555 /nfs/dbraw/zinc/47/35/55/428473555.db2.gz BSEQTKXUKFOTRS-YIOZNXECSA-N 2 1 317.477 2.658 20 0 DFADMP C[C@H]1C[NH+](C)C[C@H]1Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000342847431 428473564 /nfs/dbraw/zinc/47/35/64/428473564.db2.gz BSEQTKXUKFOTRS-YIOZNXECSA-N 2 1 317.477 2.658 20 0 DFADMP C[C@H]1C[NH+](C)C[C@H]1Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000342847431 428473569 /nfs/dbraw/zinc/47/35/69/428473569.db2.gz BSEQTKXUKFOTRS-YIOZNXECSA-N 2 1 317.477 2.658 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390749341 428474273 /nfs/dbraw/zinc/47/42/73/428474273.db2.gz RPYJJUTWKGFSOZ-NVXWUHKLSA-N 2 1 319.493 2.647 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000414960835 428474825 /nfs/dbraw/zinc/47/48/25/428474825.db2.gz YLGIIWAQYVNJEI-AAEUAGOBSA-N 2 1 314.376 2.917 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000390797588 428475865 /nfs/dbraw/zinc/47/58/65/428475865.db2.gz LBFFSWSTPBTVHM-RBSFLKMASA-N 2 1 313.486 2.610 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000390797588 428475873 /nfs/dbraw/zinc/47/58/73/428475873.db2.gz LBFFSWSTPBTVHM-RBSFLKMASA-N 2 1 313.486 2.610 20 0 DFADMP CC(C)(C)OC(=O)NC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000390805213 428476259 /nfs/dbraw/zinc/47/62/59/428476259.db2.gz YYZRKTZKBFVBOG-UHFFFAOYSA-N 2 1 323.481 2.650 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000390916687 428476913 /nfs/dbraw/zinc/47/69/13/428476913.db2.gz FTRPCCBIHKINOB-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000390916687 428476921 /nfs/dbraw/zinc/47/69/21/428476921.db2.gz FTRPCCBIHKINOB-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414969001 428478995 /nfs/dbraw/zinc/47/89/95/428478995.db2.gz YWZQZVINOJIMDP-GWCFXTLKSA-N 2 1 313.239 2.545 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2)cn1 ZINC000391007028 428478970 /nfs/dbraw/zinc/47/89/70/428478970.db2.gz IJGIVKUIQSABGI-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542948 428585729 /nfs/dbraw/zinc/58/57/29/428585729.db2.gz NXLZRJDDIVEDEA-HOTGVXAUSA-N 2 1 310.482 2.818 20 0 DFADMP COc1ccccc1[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000358265245 428590047 /nfs/dbraw/zinc/59/00/47/428590047.db2.gz ZJAHSKOPMGUKIK-RTBURBONSA-N 2 1 318.461 2.583 20 0 DFADMP COc1ccccc1[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000358265245 428590054 /nfs/dbraw/zinc/59/00/54/428590054.db2.gz ZJAHSKOPMGUKIK-RTBURBONSA-N 2 1 318.461 2.583 20 0 DFADMP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399004825 428532954 /nfs/dbraw/zinc/53/29/54/428532954.db2.gz WUTAYZIQZWRNAH-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP CCC(CC)(CO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000373274749 428535359 /nfs/dbraw/zinc/53/53/59/428535359.db2.gz PAVVUZXFVODYCI-UHFFFAOYSA-N 2 1 311.495 2.550 20 0 DFADMP CCC(CC)(CO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000373274749 428535365 /nfs/dbraw/zinc/53/53/65/428535365.db2.gz PAVVUZXFVODYCI-UHFFFAOYSA-N 2 1 311.495 2.550 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399205628 428537056 /nfs/dbraw/zinc/53/70/56/428537056.db2.gz VOIZWGZTFXCJAJ-UKRRQHHQSA-N 2 1 322.453 2.569 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000400169991 428543027 /nfs/dbraw/zinc/54/30/27/428543027.db2.gz KDHZROAOKIKLHH-PKOBYXMFSA-N 2 1 302.462 2.913 20 0 DFADMP CO[C@H](C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000400156951 428543165 /nfs/dbraw/zinc/54/31/65/428543165.db2.gz FARAHDGFQSSZAQ-HSALFYBXSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000400156951 428543172 /nfs/dbraw/zinc/54/31/72/428543172.db2.gz FARAHDGFQSSZAQ-HSALFYBXSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000400156951 428543179 /nfs/dbraw/zinc/54/31/79/428543179.db2.gz FARAHDGFQSSZAQ-HSALFYBXSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400323540 428544783 /nfs/dbraw/zinc/54/47/83/428544783.db2.gz APYVSWHYAPMFDO-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP C[N@@H+](CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456687 428546367 /nfs/dbraw/zinc/54/63/67/428546367.db2.gz WFTAPSKLBFCPSO-ZCNNSNEGSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456687 428546372 /nfs/dbraw/zinc/54/63/72/428546372.db2.gz WFTAPSKLBFCPSO-ZCNNSNEGSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456687 428546375 /nfs/dbraw/zinc/54/63/75/428546375.db2.gz WFTAPSKLBFCPSO-ZCNNSNEGSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449037 428546902 /nfs/dbraw/zinc/54/69/02/428546902.db2.gz OFKKIHMHFFMLPG-GOEBONIOSA-N 2 1 323.481 2.626 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2OC)C1 ZINC000361191427 428547074 /nfs/dbraw/zinc/54/70/74/428547074.db2.gz SHNCTWACFUIZGN-KRWDZBQOSA-N 2 1 324.440 2.767 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353469608 428551312 /nfs/dbraw/zinc/55/13/12/428551312.db2.gz GUGMFAWGDGFVTA-HLLBOEOZSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353469608 428551316 /nfs/dbraw/zinc/55/13/16/428551316.db2.gz GUGMFAWGDGFVTA-HLLBOEOZSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H](c1cnccn1)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373352341 428553405 /nfs/dbraw/zinc/55/34/05/428553405.db2.gz DVHHIXIMXIPERB-GJZGRUSLSA-N 2 1 300.450 2.734 20 0 DFADMP FC(F)(F)C1CCC(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000373345048 428553946 /nfs/dbraw/zinc/55/39/46/428553946.db2.gz DHCZSAVHKNTHQA-CVSAEHQPSA-N 2 1 320.399 2.808 20 0 DFADMP FC(F)(F)C1CCC(C[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000373345048 428553948 /nfs/dbraw/zinc/55/39/48/428553948.db2.gz DHCZSAVHKNTHQA-CVSAEHQPSA-N 2 1 320.399 2.808 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000402748288 428561439 /nfs/dbraw/zinc/56/14/39/428561439.db2.gz LKOFZUMSVIQYMU-IBGZPJMESA-N 2 1 324.472 2.909 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000402748288 428561443 /nfs/dbraw/zinc/56/14/43/428561443.db2.gz LKOFZUMSVIQYMU-IBGZPJMESA-N 2 1 324.472 2.909 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000353494657 428563818 /nfs/dbraw/zinc/56/38/18/428563818.db2.gz DIIXSUGJCOKNNL-AOIWGVFYSA-N 2 1 310.445 2.835 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000373389172 428564509 /nfs/dbraw/zinc/56/45/09/428564509.db2.gz RAXBBWWJHJOYCY-DOTOQJQBSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000373389172 428564512 /nfs/dbraw/zinc/56/45/12/428564512.db2.gz RAXBBWWJHJOYCY-DOTOQJQBSA-N 2 1 314.408 2.728 20 0 DFADMP OC1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000353495265 428565603 /nfs/dbraw/zinc/56/56/03/428565603.db2.gz HUVNLPHBACOBGR-QQFBHYJXSA-N 2 1 308.491 2.853 20 0 DFADMP OC1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000353495265 428565609 /nfs/dbraw/zinc/56/56/09/428565609.db2.gz HUVNLPHBACOBGR-QQFBHYJXSA-N 2 1 308.491 2.853 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000404353483 428568013 /nfs/dbraw/zinc/56/80/13/428568013.db2.gz KKHGKCKBSYVHOM-AEFFLSMTSA-N 2 1 317.477 2.877 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000404353483 428568020 /nfs/dbraw/zinc/56/80/20/428568020.db2.gz KKHGKCKBSYVHOM-AEFFLSMTSA-N 2 1 317.477 2.877 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361435397 428568270 /nfs/dbraw/zinc/56/82/70/428568270.db2.gz LNABFJPLRMGAIG-FVQBIDKESA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361435397 428568274 /nfs/dbraw/zinc/56/82/74/428568274.db2.gz LNABFJPLRMGAIG-FVQBIDKESA-N 2 1 312.404 2.645 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(OC)c1OC ZINC000404423291 428569760 /nfs/dbraw/zinc/56/97/60/428569760.db2.gz JUXNFNUNCKAYMT-HIFRSBDPSA-N 2 1 322.449 2.662 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(OC)c1OC ZINC000404423291 428569763 /nfs/dbraw/zinc/56/97/63/428569763.db2.gz JUXNFNUNCKAYMT-HIFRSBDPSA-N 2 1 322.449 2.662 20 0 DFADMP CC(C)C[N@H+]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC000361476436 428571667 /nfs/dbraw/zinc/57/16/67/428571667.db2.gz BWPAMMWFUDIYPD-UHFFFAOYSA-N 2 1 317.477 2.552 20 0 DFADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@H]2CCC[C@H]21 ZINC000353514225 428573350 /nfs/dbraw/zinc/57/33/50/428573350.db2.gz BUDRJFKUCWOIJU-CEXWTWQISA-N 3 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]2CCC[C@H]21 ZINC000353514225 428573357 /nfs/dbraw/zinc/57/33/57/428573357.db2.gz BUDRJFKUCWOIJU-CEXWTWQISA-N 3 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCc2ccccc21 ZINC000404992251 428574731 /nfs/dbraw/zinc/57/47/31/428574731.db2.gz GLQNUNRHKRYOKK-CZAAIQMYSA-N 2 1 324.468 2.579 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000343823725 428575407 /nfs/dbraw/zinc/57/54/07/428575407.db2.gz GEFNWESZZSWHDY-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000343823725 428575410 /nfs/dbraw/zinc/57/54/10/428575410.db2.gz GEFNWESZZSWHDY-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000405216416 428576350 /nfs/dbraw/zinc/57/63/50/428576350.db2.gz KGRJPTOSJOTTGW-LPHOPBHVSA-N 2 1 312.461 2.881 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705425 428634188 /nfs/dbraw/zinc/63/41/88/428634188.db2.gz MFZJSFBRVPMQGE-SJORKVTESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973955 428606510 /nfs/dbraw/zinc/60/65/10/428606510.db2.gz ZSPDAIPPYUHSOR-HNAYVOBHSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000361973955 428606514 /nfs/dbraw/zinc/60/65/14/428606514.db2.gz ZSPDAIPPYUHSOR-HNAYVOBHSA-N 2 1 305.510 2.856 20 0 DFADMP CN(CCC[N@@H+](C)CCc1ccccc1Cl)CC[NH+](C)C ZINC000344031149 428612791 /nfs/dbraw/zinc/61/27/91/428612791.db2.gz PIGBZLSXFZTSPM-UHFFFAOYSA-N 2 1 311.901 2.698 20 0 DFADMP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344039129 428618636 /nfs/dbraw/zinc/61/86/36/428618636.db2.gz TYBIQJDLNSDUIQ-CQSZACIVSA-N 2 1 313.436 2.841 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000362099149 428620130 /nfs/dbraw/zinc/62/01/30/428620130.db2.gz PHAUYXKIXRFUKE-UHFFFAOYSA-N 2 1 309.417 2.772 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415910674 428623874 /nfs/dbraw/zinc/62/38/74/428623874.db2.gz WCUMFOLQJKUMQY-UHFFFAOYSA-N 2 1 306.454 2.650 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000415912139 428624545 /nfs/dbraw/zinc/62/45/45/428624545.db2.gz BFKJTKLRHAENMT-OAHLLOKOSA-N 2 1 318.465 2.650 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000344302005 428628219 /nfs/dbraw/zinc/62/82/19/428628219.db2.gz VKJGFHHWQLKSBM-TVFCKZIOSA-N 2 1 306.494 2.902 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000415925291 428629679 /nfs/dbraw/zinc/62/96/79/428629679.db2.gz ABZPBDIXVYMJRB-UHFFFAOYSA-N 2 1 318.465 2.792 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCCCn2cc[nH+]c2C)c1 ZINC000415934001 428631440 /nfs/dbraw/zinc/63/14/40/428631440.db2.gz PGOYQHYXPAAZSN-UHFFFAOYSA-N 2 1 315.421 2.513 20 0 DFADMP CCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(C)n1 ZINC000353628789 428631516 /nfs/dbraw/zinc/63/15/16/428631516.db2.gz BWAZIROJPFGQDL-KURKYZTESA-N 2 1 304.482 2.954 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)[C@@H](C)C1 ZINC000415947647 428632268 /nfs/dbraw/zinc/63/22/68/428632268.db2.gz WYSLSAKGQOGNDB-WMLDXEAASA-N 2 1 318.465 2.600 20 0 DFADMP COCC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353639743 428633272 /nfs/dbraw/zinc/63/32/72/428633272.db2.gz FCVZUCXAAINTSA-NZSAHSFTSA-N 2 1 320.477 2.681 20 0 DFADMP COCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353639743 428633279 /nfs/dbraw/zinc/63/32/79/428633279.db2.gz FCVZUCXAAINTSA-NZSAHSFTSA-N 2 1 320.477 2.681 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000358371955 428595532 /nfs/dbraw/zinc/59/55/32/428595532.db2.gz WJGZRCWUIHNDLO-KMFMINBZSA-N 2 1 301.434 2.557 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000358371955 428595538 /nfs/dbraw/zinc/59/55/38/428595538.db2.gz WJGZRCWUIHNDLO-KMFMINBZSA-N 2 1 301.434 2.557 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000415965255 428637928 /nfs/dbraw/zinc/63/79/28/428637928.db2.gz XTASWUGMLMZVLH-QZTJIDSGSA-N 2 1 324.428 2.712 20 0 DFADMP C[N@@H+](CCCNC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000415977698 428639505 /nfs/dbraw/zinc/63/95/05/428639505.db2.gz OHTOFKPEGYLFCM-UHFFFAOYSA-N 2 1 318.465 2.921 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)N(C)C)CC1)CC(C)C ZINC000358739043 428651080 /nfs/dbraw/zinc/65/10/80/428651080.db2.gz DUHPUFXRNUJHBM-UHFFFAOYSA-N 2 1 311.514 2.545 20 0 DFADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000362198342 428657415 /nfs/dbraw/zinc/65/74/15/428657415.db2.gz FNWJZDXTECFRFP-INIZCTEOSA-N 2 1 319.493 2.984 20 0 DFADMP C[C@@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[C@H]([NH3+])c1ccccc1 ZINC000263280023 274200173 /nfs/dbraw/zinc/20/01/73/274200173.db2.gz RPOAMUVPMFDQKO-HPFXQQBRSA-N 2 1 317.477 2.559 20 0 DFADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1C1CCCCC1 ZINC000373904153 428654343 /nfs/dbraw/zinc/65/43/43/428654343.db2.gz NNGQFUGPOITXJC-QXAKKESOSA-N 2 1 305.510 3.000 20 0 DFADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373904153 428654349 /nfs/dbraw/zinc/65/43/49/428654349.db2.gz NNGQFUGPOITXJC-QXAKKESOSA-N 2 1 305.510 3.000 20 0 DFADMP C(N[C@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373904153 428654351 /nfs/dbraw/zinc/65/43/51/428654351.db2.gz NNGQFUGPOITXJC-QXAKKESOSA-N 2 1 305.510 3.000 20 0 DFADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)[C@H](CC)CN1C(C)=O ZINC000348202624 428655095 /nfs/dbraw/zinc/65/50/95/428655095.db2.gz MRKCPYVWKMDXCM-QZTJIDSGSA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)[C@H](CC)CN1C(C)=O ZINC000348202624 428655097 /nfs/dbraw/zinc/65/50/97/428655097.db2.gz MRKCPYVWKMDXCM-QZTJIDSGSA-N 2 1 320.481 2.693 20 0 DFADMP CO[C@@]1(C)CCC[NH+](CC(C)C[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348230556 428668449 /nfs/dbraw/zinc/66/84/49/428668449.db2.gz HAOZMGHXOLHDOJ-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000360575477 274335300 /nfs/dbraw/zinc/33/53/00/274335300.db2.gz YBSXRQJSDVCFQR-RVKKMQEKSA-N 2 1 305.441 2.582 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416241674 428698377 /nfs/dbraw/zinc/69/83/77/428698377.db2.gz DLSKDTMNXUUNJY-ZWKOTPCHSA-N 2 1 317.477 2.621 20 0 DFADMP C[NH+](C)[C@H](CC(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000416242297 428698672 /nfs/dbraw/zinc/69/86/72/428698672.db2.gz FUPGLBCIFKXOJJ-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)C[C@@H]1C ZINC000353754718 428699804 /nfs/dbraw/zinc/69/98/04/428699804.db2.gz ZQANNGWIQJCGHW-YJBOKZPZSA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)C[C@@H]1C ZINC000353754718 428699809 /nfs/dbraw/zinc/69/98/09/428699809.db2.gz ZQANNGWIQJCGHW-YJBOKZPZSA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)C[C@@H]1C ZINC000353754718 428699815 /nfs/dbraw/zinc/69/98/15/428699815.db2.gz ZQANNGWIQJCGHW-YJBOKZPZSA-N 2 1 313.449 2.572 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000353764069 428703857 /nfs/dbraw/zinc/70/38/57/428703857.db2.gz XNMMWBLPUHOUKR-HZPDHXFCSA-N 2 1 318.465 2.531 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000353764069 428703861 /nfs/dbraw/zinc/70/38/61/428703861.db2.gz XNMMWBLPUHOUKR-HZPDHXFCSA-N 2 1 318.465 2.531 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)s2)cn1 ZINC000374587195 428705107 /nfs/dbraw/zinc/70/51/07/428705107.db2.gz RTPWOCRCBOVYKD-GJZGRUSLSA-N 2 1 316.474 2.865 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]([NH2+]CC4=CCCOC4)[C@@H]3C2)cc1 ZINC000374605484 428709536 /nfs/dbraw/zinc/70/95/36/428709536.db2.gz PGAXWZXMADZFIO-VAMGGRTRSA-N 2 1 312.457 2.833 20 0 DFADMP CC(C)CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358865195 428710671 /nfs/dbraw/zinc/71/06/71/428710671.db2.gz NMUQGVKJPMBOPR-IAGOWNOFSA-N 2 1 312.498 2.623 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348251941 428680319 /nfs/dbraw/zinc/68/03/19/428680319.db2.gz ALTSKLWKXAMSRO-PMACEKPBSA-N 2 1 315.505 2.653 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416171678 428680552 /nfs/dbraw/zinc/68/05/52/428680552.db2.gz RMRFXNSUNXOAKW-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348259496 428682573 /nfs/dbraw/zinc/68/25/73/428682573.db2.gz FZHHKROELYQDMV-QXAKKESOSA-N 2 1 302.462 2.913 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCC[C@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000344619675 428683795 /nfs/dbraw/zinc/68/37/95/428683795.db2.gz XDKWLNRFMHKVSU-JENIJYKNSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NCC[C@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000344619675 428683802 /nfs/dbraw/zinc/68/38/02/428683802.db2.gz XDKWLNRFMHKVSU-JENIJYKNSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NCC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000344619675 428683806 /nfs/dbraw/zinc/68/38/06/428683806.db2.gz XDKWLNRFMHKVSU-JENIJYKNSA-N 2 1 303.494 2.827 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000358806407 428684907 /nfs/dbraw/zinc/68/49/07/428684907.db2.gz MUBZQRNXMFCUEW-SFHVURJKSA-N 2 1 310.482 2.870 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@H+]1C ZINC000344685271 428693187 /nfs/dbraw/zinc/69/31/87/428693187.db2.gz QGGCLRZYEBOFNK-AAEUAGOBSA-N 2 1 320.387 2.927 20 0 DFADMP OCC[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1CC1 ZINC000411184811 428753268 /nfs/dbraw/zinc/75/32/68/428753268.db2.gz LRQYFFIMJGRQJY-UHFFFAOYSA-N 2 1 302.462 2.877 20 0 DFADMP C[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411185929 428754281 /nfs/dbraw/zinc/75/42/81/428754281.db2.gz OLBBKNCWSYEFGF-DFGXFYAUSA-N 2 1 317.477 2.667 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2C[C@H](F)C[C@@H]2CO)cc1 ZINC000348487351 428757542 /nfs/dbraw/zinc/75/75/42/428757542.db2.gz BDFIXSJULXLOTN-XGWLTEMNSA-N 2 1 303.381 2.646 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2C[C@H](F)C[C@@H]2CO)cc1 ZINC000348487351 428757546 /nfs/dbraw/zinc/75/75/46/428757546.db2.gz BDFIXSJULXLOTN-XGWLTEMNSA-N 2 1 303.381 2.646 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353899961 428769494 /nfs/dbraw/zinc/76/94/94/428769494.db2.gz IJNCDKYYLJNEKG-MSOLQXFVSA-N 2 1 321.509 2.728 20 0 DFADMP Cc1nc(CO[C@@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cs1 ZINC000374933076 428789531 /nfs/dbraw/zinc/78/95/31/428789531.db2.gz URBAJZCMBOESJF-IAGOWNOFSA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cs1 ZINC000374933076 428789537 /nfs/dbraw/zinc/78/95/37/428789537.db2.gz URBAJZCMBOESJF-IAGOWNOFSA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cs1 ZINC000374933076 428789544 /nfs/dbraw/zinc/78/95/44/428789544.db2.gz URBAJZCMBOESJF-IAGOWNOFSA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cs1 ZINC000374933076 428789546 /nfs/dbraw/zinc/78/95/46/428789546.db2.gz URBAJZCMBOESJF-IAGOWNOFSA-N 2 1 323.506 2.917 20 0 DFADMP C[C@@H]1C[C@H]1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348561780 428789693 /nfs/dbraw/zinc/78/96/93/428789693.db2.gz YAOQXGCLVUDRDA-HOJAQTOUSA-N 2 1 313.489 2.535 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1(C(=O)OC)CCC1 ZINC000353837686 428742401 /nfs/dbraw/zinc/74/24/01/428742401.db2.gz CUOJEDLXDITLDU-UKRRQHHQSA-N 2 1 307.438 2.539 20 0 DFADMP CCCC[N@H+](CC(N)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411173431 428751490 /nfs/dbraw/zinc/75/14/90/428751490.db2.gz MJOOTYMJOPKUJX-UHFFFAOYSA-N 2 1 317.477 2.760 20 0 DFADMP CCCC[N@@H+](CC(N)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411173431 428751494 /nfs/dbraw/zinc/75/14/94/428751494.db2.gz MJOOTYMJOPKUJX-UHFFFAOYSA-N 2 1 317.477 2.760 20 0 DFADMP CC(CC[NH+](C)C[C@H]1CCCO1)CC[N@@H+](C)C[C@H]1CCCO1 ZINC000411172778 428752232 /nfs/dbraw/zinc/75/22/32/428752232.db2.gz NAIGNAFJLKHERV-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)(C)c1ncc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cn1 ZINC000375322531 428853612 /nfs/dbraw/zinc/85/36/12/428853612.db2.gz UAANDSHRSLSACU-ZACQAIPSSA-N 2 1 314.477 2.690 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000354078756 428851149 /nfs/dbraw/zinc/85/11/49/428851149.db2.gz XZMKCVYPBJTLAA-OAHLLOKOSA-N 2 1 302.418 2.579 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1F)CC2 ZINC000411440876 428798965 /nfs/dbraw/zinc/79/89/65/428798965.db2.gz IANRBVVPKRIWIQ-UHFFFAOYSA-N 2 1 319.424 2.715 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1F)CC2 ZINC000411440876 428798971 /nfs/dbraw/zinc/79/89/71/428798971.db2.gz IANRBVVPKRIWIQ-UHFFFAOYSA-N 2 1 319.424 2.715 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000362803187 428806999 /nfs/dbraw/zinc/80/69/99/428806999.db2.gz SPBPUHFQCQHVNH-PVAVHDDUSA-N 2 1 308.491 2.770 20 0 DFADMP CCCCNC(=O)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520627 428811758 /nfs/dbraw/zinc/81/17/58/428811758.db2.gz WJUAIHRATUICRI-CVEARBPZSA-N 2 1 309.498 2.535 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)cn2)[C@@H](C)C1 ZINC000411551619 428816912 /nfs/dbraw/zinc/81/69/12/428816912.db2.gz NRJNQQQJYMNVAU-QFBILLFUSA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)cn2)[C@@H](C)C1 ZINC000411551619 428816915 /nfs/dbraw/zinc/81/69/15/428816915.db2.gz NRJNQQQJYMNVAU-QFBILLFUSA-N 2 1 319.493 2.871 20 0 DFADMP CN(C)c1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000359112359 428822649 /nfs/dbraw/zinc/82/26/49/428822649.db2.gz CEXQHDPCPUTNPG-UHFFFAOYSA-N 2 1 319.497 2.677 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)CCOCc2ccccc2)CC1 ZINC000348752199 428826770 /nfs/dbraw/zinc/82/67/70/428826770.db2.gz GCTIMMSXSOUYLD-KRWDZBQOSA-N 2 1 320.477 2.682 20 0 DFADMP CC1CCC(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000354037637 428833969 /nfs/dbraw/zinc/83/39/69/428833969.db2.gz JEOBDCTVNYEFPL-JEVOJNTISA-N 2 1 307.526 2.771 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1F ZINC000354039575 428836813 /nfs/dbraw/zinc/83/68/13/428836813.db2.gz NIRZSUSXBDPEFZ-APWZRJJASA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1F ZINC000354039575 428836820 /nfs/dbraw/zinc/83/68/20/428836820.db2.gz NIRZSUSXBDPEFZ-APWZRJJASA-N 2 1 319.468 2.592 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000354065898 428844597 /nfs/dbraw/zinc/84/45/97/428844597.db2.gz SRIUOTNCBUVVRY-BPQIPLTHSA-N 2 1 323.525 2.780 20 0 DFADMP Cc1cccc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000375518944 428906635 /nfs/dbraw/zinc/90/66/35/428906635.db2.gz LRRVUFCVQIQSKY-AYHJJNSGSA-N 2 1 314.477 2.574 20 0 DFADMP c1cc2c(c([C@H]3CCC[N@@H+]3CCC3CC[NH2+]CC3)c1)OCCO2 ZINC000359184024 428856354 /nfs/dbraw/zinc/85/63/54/428856354.db2.gz BCIWSCXTEPURBU-QGZVFWFLSA-N 2 1 316.445 2.984 20 0 DFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000354087754 428856844 /nfs/dbraw/zinc/85/68/44/428856844.db2.gz FSJACMLIPKXYQW-KRWDZBQOSA-N 2 1 300.446 2.785 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000354087754 428856846 /nfs/dbraw/zinc/85/68/46/428856846.db2.gz FSJACMLIPKXYQW-KRWDZBQOSA-N 2 1 300.446 2.785 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000354087754 428856850 /nfs/dbraw/zinc/85/68/50/428856850.db2.gz FSJACMLIPKXYQW-KRWDZBQOSA-N 2 1 300.446 2.785 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000354087754 428856854 /nfs/dbraw/zinc/85/68/54/428856854.db2.gz FSJACMLIPKXYQW-KRWDZBQOSA-N 2 1 300.446 2.785 20 0 DFADMP CCc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000375345077 428858956 /nfs/dbraw/zinc/85/89/56/428858956.db2.gz KVFCSBYMBLBCTF-IPMKNSEASA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCCN(Cc3nccn3C)CC2)C1 ZINC000363109087 428859524 /nfs/dbraw/zinc/85/95/24/428859524.db2.gz XXDHASNOCVKXAW-IAGOWNOFSA-N 2 1 304.482 2.754 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000359196584 428862833 /nfs/dbraw/zinc/86/28/33/428862833.db2.gz URNJOFWNQYGLGW-INIZCTEOSA-N 2 1 304.434 2.538 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000359212691 428867395 /nfs/dbraw/zinc/86/73/95/428867395.db2.gz DZUHXNWSQVRSBL-GOSISDBHSA-N 2 1 315.461 2.504 20 0 DFADMP C[C@@H]1C[C@@H](O)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877066 428876665 /nfs/dbraw/zinc/87/66/65/428876665.db2.gz QFSAQXXRKDBYHR-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000411884917 428878510 /nfs/dbraw/zinc/87/85/10/428878510.db2.gz XBUZIKGPDJKNHP-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP Cc1[nH+]ccc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1Cl ZINC000354154487 428889976 /nfs/dbraw/zinc/88/99/76/428889976.db2.gz CHQRHJMCLQCATJ-BETUJISGSA-N 2 1 311.857 2.767 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000375487534 428896980 /nfs/dbraw/zinc/89/69/80/428896980.db2.gz QVPSVNZOGWDEJQ-KZNAEPCWSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000375487534 428896984 /nfs/dbraw/zinc/89/69/84/428896984.db2.gz QVPSVNZOGWDEJQ-KZNAEPCWSA-N 2 1 305.466 2.987 20 0 DFADMP c1ccc(-c2nc3ccccn3c2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359288486 428904544 /nfs/dbraw/zinc/90/45/44/428904544.db2.gz ZDJOZRPAODSMTL-CALCHBBNSA-N 2 1 318.424 2.653 20 0 DFADMP c1ccc(-c2nc3ccccn3c2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359288486 428904550 /nfs/dbraw/zinc/90/45/50/428904550.db2.gz ZDJOZRPAODSMTL-CALCHBBNSA-N 2 1 318.424 2.653 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(C)s1 ZINC000349077835 428914569 /nfs/dbraw/zinc/91/45/69/428914569.db2.gz QHSBMJZRBLWOPX-MRXNPFEDSA-N 2 1 309.523 2.904 20 0 DFADMP C[N@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453305 428920763 /nfs/dbraw/zinc/92/07/63/428920763.db2.gz UYWZRWCXLRZBQD-UHFFFAOYSA-N 2 1 306.425 2.901 20 0 DFADMP C[N@@H+](Cc1ccc(F)cc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453305 428920768 /nfs/dbraw/zinc/92/07/68/428920768.db2.gz UYWZRWCXLRZBQD-UHFFFAOYSA-N 2 1 306.425 2.901 20 0 DFADMP CCc1nccc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000363459316 428920921 /nfs/dbraw/zinc/92/09/21/428920921.db2.gz KBTOOTWNNBZGKK-JKSUJKDBSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000363459316 428920925 /nfs/dbraw/zinc/92/09/25/428920925.db2.gz KBTOOTWNNBZGKK-JKSUJKDBSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000363459316 428920930 /nfs/dbraw/zinc/92/09/30/428920930.db2.gz KBTOOTWNNBZGKK-JKSUJKDBSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000363459316 428920935 /nfs/dbraw/zinc/92/09/35/428920935.db2.gz KBTOOTWNNBZGKK-JKSUJKDBSA-N 2 1 302.466 2.703 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226268 428928622 /nfs/dbraw/zinc/92/86/22/428928622.db2.gz VXZQTQCOKRJJTO-SJLPKXTDSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226268 428928629 /nfs/dbraw/zinc/92/86/29/428928629.db2.gz VXZQTQCOKRJJTO-SJLPKXTDSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000349142045 428928839 /nfs/dbraw/zinc/92/88/39/428928839.db2.gz HBOJKJYFAWNAJN-JKSUJKDBSA-N 2 1 321.465 2.653 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@@H]2CCC[C@@H]21 ZINC000375788249 428971557 /nfs/dbraw/zinc/97/15/57/428971557.db2.gz IPLJFRWRMOLJCR-ULQDDVLXSA-N 2 1 316.445 2.810 20 0 DFADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+]([C@H]2CCOC2)CC3)cc1 ZINC000375674163 428940611 /nfs/dbraw/zinc/94/06/11/428940611.db2.gz SEVFXFFBWUWXKU-SFHVURJKSA-N 2 1 300.446 2.763 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C1CC[NH+](CC2CCCCC2)CC1 ZINC000375689816 428944283 /nfs/dbraw/zinc/94/42/83/428944283.db2.gz OGKXIGPVJQMIHL-UHFFFAOYSA-N 2 1 304.482 2.863 20 0 DFADMP C[C@@H]1CCC[C@@H](CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000363615490 428956405 /nfs/dbraw/zinc/95/64/05/428956405.db2.gz JLBILFIDQWDEKV-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H](CC[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000349298053 428959541 /nfs/dbraw/zinc/95/95/41/428959541.db2.gz OENMFGHUIWMKKR-SFHVURJKSA-N 2 1 303.494 2.750 20 0 DFADMP C[C@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412125082 428960175 /nfs/dbraw/zinc/96/01/75/428960175.db2.gz GLKMXBIGTAKGDK-QKPAOTATSA-N 2 1 311.514 2.730 20 0 DFADMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000349321418 428961955 /nfs/dbraw/zinc/96/19/55/428961955.db2.gz XPFBDXKDOLXMBD-SFHVURJKSA-N 2 1 315.505 2.904 20 0 DFADMP Cc1ccsc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000349325226 428962363 /nfs/dbraw/zinc/96/23/63/428962363.db2.gz CMLKGTWGZIXZHV-OAHLLOKOSA-N 2 1 307.507 2.657 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000349342624 428963570 /nfs/dbraw/zinc/96/35/70/428963570.db2.gz FIIIREWLHNSYCR-UHFFFAOYSA-N 2 1 302.422 2.978 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(-c2cc[nH]n2)o1 ZINC000349342624 428963573 /nfs/dbraw/zinc/96/35/73/428963573.db2.gz FIIIREWLHNSYCR-UHFFFAOYSA-N 2 1 302.422 2.978 20 0 DFADMP CCN(CCCNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000354312890 428964286 /nfs/dbraw/zinc/96/42/86/428964286.db2.gz VFHDXQBHMJOIDB-GOSISDBHSA-N 2 1 317.477 2.894 20 0 DFADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000354327530 428969563 /nfs/dbraw/zinc/96/95/63/428969563.db2.gz HHFHRKJRURTXOA-RCCFBDPRSA-N 2 1 323.525 2.768 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000423549678 428972521 /nfs/dbraw/zinc/97/25/21/428972521.db2.gz HYRUPKFWABMTPE-GOEBONIOSA-N 2 1 306.450 2.675 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423572124 428973825 /nfs/dbraw/zinc/97/38/25/428973825.db2.gz YHADKYBIWTUJMY-NMLBUPMWSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423572125 428974571 /nfs/dbraw/zinc/97/45/71/428974571.db2.gz YHADKYBIWTUJMY-YRPNKDGESA-N 2 1 313.489 2.629 20 0 DFADMP CCC[N@H+](C[C@@H](C)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363710040 428976772 /nfs/dbraw/zinc/97/67/72/428976772.db2.gz KRKZBNRYOYNYOY-OAHLLOKOSA-N 2 1 320.481 2.809 20 0 DFADMP CCC[N@@H+](C[C@@H](C)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363710040 428976775 /nfs/dbraw/zinc/97/67/75/428976775.db2.gz KRKZBNRYOYNYOY-OAHLLOKOSA-N 2 1 320.481 2.809 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CCCO1 ZINC000433024404 428979467 /nfs/dbraw/zinc/97/94/67/428979467.db2.gz WYXCKJKYDFLZEQ-OWCLPIDISA-N 2 1 314.539 2.997 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000363782459 428991768 /nfs/dbraw/zinc/99/17/68/428991768.db2.gz HPWWMIQJVGBQRS-TWMKSMIVSA-N 2 1 324.509 2.812 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000363782459 428991773 /nfs/dbraw/zinc/99/17/73/428991773.db2.gz HPWWMIQJVGBQRS-TWMKSMIVSA-N 2 1 324.509 2.812 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cncc(F)c1 ZINC000363779601 428992053 /nfs/dbraw/zinc/99/20/53/428992053.db2.gz APZKMOYKMKHMTD-DFEHZGFQSA-N 2 1 321.440 2.761 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cncc(F)c1 ZINC000363779601 428992062 /nfs/dbraw/zinc/99/20/62/428992062.db2.gz APZKMOYKMKHMTD-DFEHZGFQSA-N 2 1 321.440 2.761 20 0 DFADMP Cc1ccc([C@@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349489837 428995884 /nfs/dbraw/zinc/99/58/84/428995884.db2.gz AXHAEGLJMJNJQF-KSSFIOAISA-N 2 1 305.466 2.655 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000375855040 428998558 /nfs/dbraw/zinc/99/85/58/428998558.db2.gz YAWSAGKSSUVGMN-IPMKNSEASA-N 2 1 318.461 2.927 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000433136960 428998922 /nfs/dbraw/zinc/99/89/22/428998922.db2.gz RNHZYCQTMKPAAW-GUYCJALGSA-N 2 1 314.433 2.589 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@H]2CCC[C@@H]21 ZINC000375859861 429000745 /nfs/dbraw/zinc/00/07/45/429000745.db2.gz FTGAVHVSFNHVTA-SQNIBIBYSA-N 2 1 300.446 2.626 20 0 DFADMP C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000451873886 429002416 /nfs/dbraw/zinc/00/24/16/429002416.db2.gz PSXZJPRVBCDNML-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000451873886 429002423 /nfs/dbraw/zinc/00/24/23/429002423.db2.gz PSXZJPRVBCDNML-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP C[C@H]1CN(CC(F)(F)F)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000451873886 429002427 /nfs/dbraw/zinc/00/24/27/429002427.db2.gz PSXZJPRVBCDNML-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP C[C@H]1CN(CC(F)(F)F)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000451873886 429002433 /nfs/dbraw/zinc/00/24/33/429002433.db2.gz PSXZJPRVBCDNML-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000451873890 429002499 /nfs/dbraw/zinc/00/24/99/429002499.db2.gz PSXZJPRVBCDNML-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000451873890 429002504 /nfs/dbraw/zinc/00/25/04/429002504.db2.gz PSXZJPRVBCDNML-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CN(CC(F)(F)F)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000451873890 429002509 /nfs/dbraw/zinc/00/25/09/429002509.db2.gz PSXZJPRVBCDNML-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CN(CC(F)(F)F)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000451873890 429002511 /nfs/dbraw/zinc/00/25/11/429002511.db2.gz PSXZJPRVBCDNML-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423721887 429004169 /nfs/dbraw/zinc/00/41/69/429004169.db2.gz CJNBJTRRKNGYTP-VVLHAWIVSA-N 2 1 323.525 2.874 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423724676 429004610 /nfs/dbraw/zinc/00/46/10/429004610.db2.gz HMDWGHQLMUYAFY-XHSDSOJGSA-N 2 1 309.498 2.615 20 0 DFADMP CCN(CCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)CC(F)(F)F ZINC000354824659 429009809 /nfs/dbraw/zinc/00/98/09/429009809.db2.gz ZHEYOTBNSAJGOV-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)CC(F)(F)F ZINC000354824659 429009815 /nfs/dbraw/zinc/00/98/15/429009815.db2.gz ZHEYOTBNSAJGOV-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000354824659 429009816 /nfs/dbraw/zinc/00/98/16/429009816.db2.gz ZHEYOTBNSAJGOV-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)CC(F)(F)F ZINC000354824659 429009820 /nfs/dbraw/zinc/00/98/20/429009820.db2.gz ZHEYOTBNSAJGOV-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H]2CCC[C@H]21 ZINC000375898369 429010903 /nfs/dbraw/zinc/01/09/03/429010903.db2.gz RRDLMKASRWLVBO-OKZBNKHCSA-N 2 1 302.462 2.876 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423760018 429011955 /nfs/dbraw/zinc/01/19/55/429011955.db2.gz MUCKFKAECKRXGO-ALOPSCKCSA-N 2 1 321.509 2.630 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423768690 429014045 /nfs/dbraw/zinc/01/40/45/429014045.db2.gz FOSQBEBWUQWCDM-UXLLHSPISA-N 2 1 305.466 2.559 20 0 DFADMP Cc1ccc(CC[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375906332 429014448 /nfs/dbraw/zinc/01/44/48/429014448.db2.gz VGFYDZZEMSGSMB-FQEVSTJZSA-N 2 1 315.505 2.638 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc([C@@H](C)[NH3+])cc1)CC2 ZINC000423769965 429014867 /nfs/dbraw/zinc/01/48/67/429014867.db2.gz CWYYPBMFOLMMDD-OLMNPRSZSA-N 2 1 315.461 2.794 20 0 DFADMP Brc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423439988 429089843 /nfs/dbraw/zinc/08/98/43/429089843.db2.gz SRMUUQVUDPRYFV-MYZSUADSSA-N 2 1 307.235 2.634 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1OC ZINC000423462959 429090870 /nfs/dbraw/zinc/09/08/70/429090870.db2.gz AEWHKARAIFCPGZ-AAEUAGOBSA-N 2 1 314.376 2.599 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423473375 429092420 /nfs/dbraw/zinc/09/24/20/429092420.db2.gz HCDCIPPECLXVBS-LPHOPBHVSA-N 2 1 319.493 2.804 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423480035 429094660 /nfs/dbraw/zinc/09/46/60/429094660.db2.gz OPQNHSBYGYRLER-FVQBIDKESA-N 2 1 309.404 2.942 20 0 DFADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1(C)C ZINC000423481106 429096428 /nfs/dbraw/zinc/09/64/28/429096428.db2.gz PSQUOBBOIBSIOW-MELADBBJSA-N 2 1 304.425 2.805 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000376020276 429042047 /nfs/dbraw/zinc/04/20/47/429042047.db2.gz UZQFJIYXJSYDPP-MRXNPFEDSA-N 2 1 321.428 2.729 20 0 DFADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000421872214 429043476 /nfs/dbraw/zinc/04/34/76/429043476.db2.gz GNTPSLVLIJUBLJ-INDMIFKZSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)CC1CCCCC1 ZINC000355416523 429043823 /nfs/dbraw/zinc/04/38/23/429043823.db2.gz XLDOFBGKYGJURQ-CALCHBBNSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@H]2CNCCN2C)cc1 ZINC000423483119 429096614 /nfs/dbraw/zinc/09/66/14/429096614.db2.gz SAAHNATYMTXCDD-FUHWJXTLSA-N 2 1 319.493 2.666 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423490794 429096776 /nfs/dbraw/zinc/09/67/76/429096776.db2.gz ZEXAJNVBWDSWDP-GXFFZTMASA-N 2 1 314.351 2.656 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000423287524 429058187 /nfs/dbraw/zinc/05/81/87/429058187.db2.gz MTWPFXLMQLCPMB-KRWDZBQOSA-N 2 1 303.450 2.587 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C12CCOCC2 ZINC000423285471 429058306 /nfs/dbraw/zinc/05/83/06/429058306.db2.gz YDNSRPTVOXZEAW-MSOLQXFVSA-N 2 1 324.509 2.863 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423285676 429058988 /nfs/dbraw/zinc/05/89/88/429058988.db2.gz ZNCRZESJTLLCJC-KNJMJIDISA-N 2 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423285676 429058993 /nfs/dbraw/zinc/05/89/93/429058993.db2.gz ZNCRZESJTLLCJC-KNJMJIDISA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423285676 429058996 /nfs/dbraw/zinc/05/89/96/429058996.db2.gz ZNCRZESJTLLCJC-KNJMJIDISA-N 3 1 313.489 2.899 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000423303974 429059902 /nfs/dbraw/zinc/05/99/02/429059902.db2.gz XVQCFHJQFYRSRL-KGLIPLIRSA-N 2 1 307.438 2.519 20 0 DFADMP CC[C@@H]([NH2+]CC1C[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000423305310 429061475 /nfs/dbraw/zinc/06/14/75/429061475.db2.gz QNQGPLLNNYBDEL-CYBMUJFWSA-N 2 1 301.203 2.848 20 0 DFADMP [NH3+][C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000423315861 429062537 /nfs/dbraw/zinc/06/25/37/429062537.db2.gz JDPAHFLMIHQEAV-WTGUMLROSA-N 2 1 313.489 2.757 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)[C@H]2CCCOC2)cc1 ZINC000423319766 429063372 /nfs/dbraw/zinc/06/33/72/429063372.db2.gz CZPKFLJPXMPVLH-CBVHJVASSA-N 2 1 318.461 2.545 20 0 DFADMP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423326421 429064945 /nfs/dbraw/zinc/06/49/45/429064945.db2.gz KMTGYDMHCKIJIV-LPHOPBHVSA-N 2 1 319.493 2.667 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1 ZINC000423325507 429065820 /nfs/dbraw/zinc/06/58/20/429065820.db2.gz IVCUVIVIZPUKQS-YJBOKZPZSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@H](C)CC[NH2+]1 ZINC000423325503 429066308 /nfs/dbraw/zinc/06/63/08/429066308.db2.gz IVCUVIVIZPUKQS-CRAIPNDOSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000423334635 429067614 /nfs/dbraw/zinc/06/76/14/429067614.db2.gz QXCHMVMEQSQHMD-JKSUJKDBSA-N 2 1 317.477 2.948 20 0 DFADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423337940 429068499 /nfs/dbraw/zinc/06/84/99/429068499.db2.gz AOWJBBGUTFBWCT-KRWDZBQOSA-N 2 1 313.489 2.591 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@]2(C)CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423343596 429069162 /nfs/dbraw/zinc/06/91/62/429069162.db2.gz XACXHDQBMOOVMV-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423343596 429069167 /nfs/dbraw/zinc/06/91/67/429069167.db2.gz XACXHDQBMOOVMV-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCSCC2)cc1 ZINC000423346879 429069518 /nfs/dbraw/zinc/06/95/18/429069518.db2.gz ZEYFNRRUVDDHSX-IRXDYDNUSA-N 2 1 306.475 2.626 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423347885 429070340 /nfs/dbraw/zinc/07/03/40/429070340.db2.gz SCDOEALTIIQVMH-YSTOQKLRSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423347885 429070345 /nfs/dbraw/zinc/07/03/45/429070345.db2.gz SCDOEALTIIQVMH-YSTOQKLRSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423347885 429070349 /nfs/dbraw/zinc/07/03/49/429070349.db2.gz SCDOEALTIIQVMH-YSTOQKLRSA-N 3 1 313.489 2.629 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000452149738 429070572 /nfs/dbraw/zinc/07/05/72/429070572.db2.gz MVAXSCKANTUUJR-QGZVFWFLSA-N 2 1 309.498 2.633 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000423341375 429070850 /nfs/dbraw/zinc/07/08/50/429070850.db2.gz CKHWZVZRWHKDDN-FUHWJXTLSA-N 2 1 323.525 2.720 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)CC[NH2+]1 ZINC000423368960 429073524 /nfs/dbraw/zinc/07/35/24/429073524.db2.gz BMAJFUGODONSEC-UKBAYJJMSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]2C)CC[NH2+]1 ZINC000423368960 429073527 /nfs/dbraw/zinc/07/35/27/429073527.db2.gz BMAJFUGODONSEC-UKBAYJJMSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCCOC1 ZINC000423369277 429073826 /nfs/dbraw/zinc/07/38/26/429073826.db2.gz OASCIALIURPWCI-CTNYNGJSSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000423370743 429073912 /nfs/dbraw/zinc/07/39/12/429073912.db2.gz HCENZPXUGSHKPO-FRRDWIJNSA-N 2 1 319.840 2.712 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000423370827 429073965 /nfs/dbraw/zinc/07/39/65/429073965.db2.gz UQIATCZPQCPPMU-QAPCUYQASA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000423370679 429074251 /nfs/dbraw/zinc/07/42/51/429074251.db2.gz DUCKBAVCGUYBNY-RACLHMPKSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CCOCC1 ZINC000423365603 429074403 /nfs/dbraw/zinc/07/44/03/429074403.db2.gz KOKVRYNKCQSQCQ-PNPHSEOMSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423374608 429075977 /nfs/dbraw/zinc/07/59/77/429075977.db2.gz XGGABPGXCAJCOD-QKPAOTATSA-N 2 1 317.477 2.803 20 0 DFADMP CC[N@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424132927 429097326 /nfs/dbraw/zinc/09/73/26/429097326.db2.gz LHOSIQXGDQRPEM-IAGOWNOFSA-N 2 1 309.498 2.522 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423380195 429076269 /nfs/dbraw/zinc/07/62/69/429076269.db2.gz HARKEFAYVSDYQY-BFYDXBDKSA-N 2 1 304.482 2.814 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423373953 429077621 /nfs/dbraw/zinc/07/76/21/429077621.db2.gz WVEHAAIDRGJUSM-INWMFGNUSA-N 2 1 306.450 2.531 20 0 DFADMP C[N@@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000423383930 429078546 /nfs/dbraw/zinc/07/85/46/429078546.db2.gz PMATYTSTRGNGAS-KRWDZBQOSA-N 2 1 317.477 2.703 20 0 DFADMP C[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423404942 429080885 /nfs/dbraw/zinc/08/08/85/429080885.db2.gz YJYWYFROLCZJFW-VBSBHUPXSA-N 2 1 315.505 2.875 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@H]1C ZINC000423422324 429085133 /nfs/dbraw/zinc/08/51/33/429085133.db2.gz KXRPTQPHGXKIIT-CPUCHLNUSA-N 2 1 303.450 2.651 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423424086 429085670 /nfs/dbraw/zinc/08/56/70/429085670.db2.gz CLJWLFNMPLHZAK-IYWMVGAKSA-N 3 1 313.489 2.800 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423424086 429085674 /nfs/dbraw/zinc/08/56/74/429085674.db2.gz CLJWLFNMPLHZAK-IYWMVGAKSA-N 3 1 313.489 2.800 20 0 DFADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000423434135 429086877 /nfs/dbraw/zinc/08/68/77/429086877.db2.gz PWQJPBLIMZRQPO-RFQIPJPRSA-N 2 1 300.324 2.844 20 0 DFADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000434448992 429088705 /nfs/dbraw/zinc/08/87/05/429088705.db2.gz UKDBQSMVCRBRLI-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000434448992 429088711 /nfs/dbraw/zinc/08/87/11/429088711.db2.gz UKDBQSMVCRBRLI-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000434448992 429088715 /nfs/dbraw/zinc/08/87/15/429088715.db2.gz UKDBQSMVCRBRLI-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[N@@H+](C)C1CC1 ZINC000424143229 429099174 /nfs/dbraw/zinc/09/91/74/429099174.db2.gz FNTNQDFFPMTFMQ-ZBFHGGJFSA-N 2 1 309.498 2.663 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423493442 429099886 /nfs/dbraw/zinc/09/98/86/429099886.db2.gz QBLOHOFQLUIQNG-OWYHZJEWSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000423493442 429099890 /nfs/dbraw/zinc/09/98/90/429099890.db2.gz QBLOHOFQLUIQNG-OWYHZJEWSA-N 3 1 301.478 2.614 20 0 DFADMP CC[N@H+]1CCC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424156195 429100295 /nfs/dbraw/zinc/10/02/95/429100295.db2.gz NZJPULVYHDPODL-IRXDYDNUSA-N 2 1 309.498 2.665 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc(OC)c1OC ZINC000423500696 429100442 /nfs/dbraw/zinc/10/04/42/429100442.db2.gz DBKKSDPXJROVAK-DOMZBBRYSA-N 2 1 322.449 2.881 20 0 DFADMP C[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCC2)C[C@@H]1c1ccccc1 ZINC000423506201 429100851 /nfs/dbraw/zinc/10/08/51/429100851.db2.gz OWXZYIGUOVBSPY-IPMKNSEASA-N 2 1 301.478 2.929 20 0 DFADMP CC[N@H+]1CCC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424156194 429101129 /nfs/dbraw/zinc/10/11/29/429101129.db2.gz NZJPULVYHDPODL-IAGOWNOFSA-N 2 1 309.498 2.665 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423504500 429101935 /nfs/dbraw/zinc/10/19/35/429101935.db2.gz GSTOFNFBVSLKIB-PBHICJAKSA-N 2 1 303.450 2.535 20 0 DFADMP COc1cccc(C[C@@H](C2CC2)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423512944 429102791 /nfs/dbraw/zinc/10/27/91/429102791.db2.gz QVGFXMIHXBOAPT-MDASCCDHSA-N 2 1 302.462 2.933 20 0 DFADMP c1ccc(C[C@@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423511936 429103315 /nfs/dbraw/zinc/10/33/15/429103315.db2.gz KPTTVVKZQWEETJ-VQTJNVASSA-N 2 1 310.441 2.939 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000423511916 429103677 /nfs/dbraw/zinc/10/36/77/429103677.db2.gz KOJYEMYQHHBDJL-BXUZGUMPSA-N 2 1 318.339 2.614 20 0 DFADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)[C@@H]2C1 ZINC000424175343 429103971 /nfs/dbraw/zinc/10/39/71/429103971.db2.gz PRPFQPYAWFDBLO-FGTMMUONSA-N 2 1 321.509 2.617 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519808 429105668 /nfs/dbraw/zinc/10/56/68/429105668.db2.gz QOVQSPPGHOAWTP-KLAILNCOSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H]1CC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)O1 ZINC000434692334 429107648 /nfs/dbraw/zinc/10/76/48/429107648.db2.gz XDTGJCZYWVRBIV-YOEHRIQHSA-N 2 1 303.450 2.966 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc12 ZINC000423524185 429108062 /nfs/dbraw/zinc/10/80/62/429108062.db2.gz SRORGAGOFCBIPR-LSDHHAIUSA-N 2 1 314.429 2.878 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423527359 429108257 /nfs/dbraw/zinc/10/82/57/429108257.db2.gz VSHMOLGTKAAPSK-JQHSSLGASA-N 2 1 321.896 2.544 20 0 DFADMP Cc1ccccc1[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423524167 429109137 /nfs/dbraw/zinc/10/91/37/429109137.db2.gz SPMGSZICIALQPT-MJGOQNOKSA-N 2 1 301.478 2.720 20 0 DFADMP CCCCOCC[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000434742461 429109260 /nfs/dbraw/zinc/10/92/60/429109260.db2.gz OCMLXGRKEMQUMO-ROUUACIJSA-N 2 1 305.466 2.823 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000376668808 429156636 /nfs/dbraw/zinc/15/66/36/429156636.db2.gz AAURYPXASYMNKY-UHFFFAOYSA-N 2 1 312.461 2.881 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278711 429119073 /nfs/dbraw/zinc/11/90/73/429119073.db2.gz DYOUDQSAFSPQPL-AEFFLSMTSA-N 2 1 307.457 2.674 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424287015 429119905 /nfs/dbraw/zinc/11/99/05/429119905.db2.gz IBSHEWRPBOFMQN-AWEZNQCLSA-N 2 1 301.434 2.609 20 0 DFADMP CCN(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000424285685 429120105 /nfs/dbraw/zinc/12/01/05/429120105.db2.gz GFWBAIUBFHCZNE-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cc3ccccc3[nH]c1=O)CC[NH2+]CC2 ZINC000424293006 429120829 /nfs/dbraw/zinc/12/08/29/429120829.db2.gz PFIVKFRCYDNNGZ-AWEZNQCLSA-N 2 1 311.429 2.904 20 0 DFADMP COc1ccccc1OCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424295910 429121433 /nfs/dbraw/zinc/12/14/33/429121433.db2.gz RQAAOTACTWFFRT-HNNXBMFYSA-N 2 1 304.434 2.538 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297385 429121538 /nfs/dbraw/zinc/12/15/38/429121538.db2.gz SNIJMYNOXHGBIQ-DLBZAZTESA-N 2 1 323.525 2.781 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424292951 429121798 /nfs/dbraw/zinc/12/17/98/429121798.db2.gz OYTZEJKIGLVFTM-CHWSQXEVSA-N 2 1 309.479 2.815 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000376515937 429126475 /nfs/dbraw/zinc/12/64/75/429126475.db2.gz WDJNLQLUJTWFTH-BRWVUGGUSA-N 2 1 322.493 2.772 20 0 DFADMP C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424378160 429131076 /nfs/dbraw/zinc/13/10/76/429131076.db2.gz SJHUJGBQTFCHOG-JCHJZTRSSA-N 2 1 301.478 2.757 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424368517 429132236 /nfs/dbraw/zinc/13/22/36/429132236.db2.gz AFUFGRNBMRKITD-AWEZNQCLSA-N 2 1 301.434 2.609 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494642833 429133733 /nfs/dbraw/zinc/13/37/33/429133733.db2.gz KYSXHGFRFUOMES-HZPDHXFCSA-N 2 1 309.498 2.535 20 0 DFADMP COCCOc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424382796 429134351 /nfs/dbraw/zinc/13/43/51/429134351.db2.gz STKWTFXFXUMHAJ-INIZCTEOSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424388621 429134621 /nfs/dbraw/zinc/13/46/21/429134621.db2.gz ZKRLXXUNZCVLMO-AWEZNQCLSA-N 2 1 304.434 2.668 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424378889 429134692 /nfs/dbraw/zinc/13/46/92/429134692.db2.gz ODYBLPITPRABPR-AWEZNQCLSA-N 2 1 304.482 2.874 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000435377701 429136249 /nfs/dbraw/zinc/13/62/49/429136249.db2.gz FJZGXDUCUZQVNI-UHOSZYNNSA-N 2 1 323.440 2.926 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000363890206 429136443 /nfs/dbraw/zinc/13/64/43/429136443.db2.gz ZYZJMVJJGBXNDV-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(-n2cccn2)c1 ZINC000363890206 429136448 /nfs/dbraw/zinc/13/64/48/429136448.db2.gz ZYZJMVJJGBXNDV-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000376558574 429136753 /nfs/dbraw/zinc/13/67/53/429136753.db2.gz OZGCCRNNHALDFW-KGLIPLIRSA-N 2 1 302.426 2.533 20 0 DFADMP CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435388955 429136909 /nfs/dbraw/zinc/13/69/09/429136909.db2.gz IJZPQEQWMLPLPK-HNNXBMFYSA-N 2 1 322.449 2.676 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424448466 429142246 /nfs/dbraw/zinc/14/22/46/429142246.db2.gz XZTWFNGIZFTVMP-UKRRQHHQSA-N 2 1 318.465 2.696 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)o1 ZINC000364055531 429163683 /nfs/dbraw/zinc/16/36/83/429163683.db2.gz KPPAPDQCKMYGLO-QGZVFWFLSA-N 2 1 319.449 2.539 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)o1 ZINC000364055531 429163684 /nfs/dbraw/zinc/16/36/84/429163684.db2.gz KPPAPDQCKMYGLO-QGZVFWFLSA-N 2 1 319.449 2.539 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494930901 429164649 /nfs/dbraw/zinc/16/46/49/429164649.db2.gz NEMQCCUFWFVNNF-KRWDZBQOSA-N 2 1 314.539 2.810 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2ccnc(N)c2)CC1)CC1CC1 ZINC000488095685 429176153 /nfs/dbraw/zinc/17/61/53/429176153.db2.gz CIGZOKDHMJCUEN-UHFFFAOYSA-N 2 1 316.493 2.998 20 0 DFADMP CC(C)OC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364343611 429187118 /nfs/dbraw/zinc/18/71/18/429187118.db2.gz OZRKNKABDRZJNH-WMZOPIPTSA-N 2 1 318.461 2.828 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccnc1 ZINC000364449181 429206314 /nfs/dbraw/zinc/20/63/14/429206314.db2.gz ROEBJJYZGWFVHJ-UOVPBQLFSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccnc1 ZINC000364449181 429206320 /nfs/dbraw/zinc/20/63/20/429206320.db2.gz ROEBJJYZGWFVHJ-UOVPBQLFSA-N 2 1 303.450 2.622 20 0 DFADMP C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000370083995 275394516 /nfs/dbraw/zinc/39/45/16/275394516.db2.gz SZLTXTYQYBMDBP-IBGZPJMESA-N 2 1 305.510 3.000 20 0 DFADMP C([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H]1CCCCN1C1CC1 ZINC000370083995 275394519 /nfs/dbraw/zinc/39/45/19/275394519.db2.gz SZLTXTYQYBMDBP-IBGZPJMESA-N 2 1 305.510 3.000 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000364542322 429222150 /nfs/dbraw/zinc/22/21/50/429222150.db2.gz GUDNHBVRWZNMLB-QGZVFWFLSA-N 2 1 307.869 2.552 20 0 DFADMP C[C@H]1C[C@@H](CNC(=[NH2+])N(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000364637555 429239021 /nfs/dbraw/zinc/23/90/21/429239021.db2.gz ZBPOVZGKROYQDJ-HOCLYGCPSA-N 2 1 300.450 2.516 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(SC)cc1OC ZINC000442931682 429241545 /nfs/dbraw/zinc/24/15/45/429241545.db2.gz WKBFTPZSPWTYBR-ZDUSSCGKSA-N 2 1 324.490 2.987 20 0 DFADMP CCCn1nc(C)c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1C ZINC000364668875 429245930 /nfs/dbraw/zinc/24/59/30/429245930.db2.gz BRKYFHCUCFXEJK-MRXNPFEDSA-N 2 1 315.465 2.801 20 0 DFADMP CCCn1nc(C)c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1C ZINC000364668875 429245933 /nfs/dbraw/zinc/24/59/33/429245933.db2.gz BRKYFHCUCFXEJK-MRXNPFEDSA-N 2 1 315.465 2.801 20 0 DFADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C ZINC000364762321 429263601 /nfs/dbraw/zinc/26/36/01/429263601.db2.gz ZAPDNNNFSDVRRX-ZHALLVOQSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1C ZINC000364762321 429263602 /nfs/dbraw/zinc/26/36/02/429263602.db2.gz ZAPDNNNFSDVRRX-ZHALLVOQSA-N 2 1 318.461 2.687 20 0 DFADMP CN(C)c1ncc(C[N@H+]2CCC[C@@H]2c2ccc(F)cc2)n1C ZINC000425320758 429264439 /nfs/dbraw/zinc/26/44/39/429264439.db2.gz DDEYBTDVDYKVAK-MRXNPFEDSA-N 2 1 302.397 2.962 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1)C(C)C ZINC000444260924 429268011 /nfs/dbraw/zinc/26/80/11/429268011.db2.gz VOBZYNGWBQLFQP-GOSISDBHSA-N 2 1 317.477 2.789 20 0 DFADMP CCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000364928763 429268631 /nfs/dbraw/zinc/26/86/31/429268631.db2.gz GIZCYTXVAWGMJG-YLJYHZDGSA-N 2 1 315.505 2.707 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000449085160 429327815 /nfs/dbraw/zinc/32/78/15/429327815.db2.gz KUWRCZVZSFDTKE-CVEARBPZSA-N 2 1 311.514 2.639 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449090773 429329612 /nfs/dbraw/zinc/32/96/12/429329612.db2.gz ODPAEZWHEDGPMX-AWEZNQCLSA-N 2 1 316.424 2.658 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449091949 429330050 /nfs/dbraw/zinc/33/00/50/429330050.db2.gz RXOZSVVOZUJDBR-MRXNPFEDSA-N 2 1 304.434 2.669 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CSC[C@H]3C)CC2)oc1C ZINC000449120311 429337046 /nfs/dbraw/zinc/33/70/46/429337046.db2.gz CMJMNSVGDFYRKW-WBMJQRKESA-N 2 1 323.506 2.845 20 0 DFADMP FC(F)(F)c1ncc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000365547630 429338106 /nfs/dbraw/zinc/33/81/06/429338106.db2.gz DCDVGHFOSLWFPH-SECBINFHSA-N 2 1 316.352 2.711 20 0 DFADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000449134705 429340789 /nfs/dbraw/zinc/34/07/89/429340789.db2.gz KXEDNDZUIGGTJG-KURKYZTESA-N 2 1 323.525 2.768 20 0 DFADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000490632807 429298710 /nfs/dbraw/zinc/29/87/10/429298710.db2.gz UWMKUJYZYMFOGV-GGPKGHCWSA-N 2 1 315.505 2.748 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425500824 429309637 /nfs/dbraw/zinc/30/96/37/429309637.db2.gz MTEZVFNHCPVSQM-SLFFLAALSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425500824 429309641 /nfs/dbraw/zinc/30/96/41/429309641.db2.gz MTEZVFNHCPVSQM-SLFFLAALSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425500824 429309643 /nfs/dbraw/zinc/30/96/43/429309643.db2.gz MTEZVFNHCPVSQM-SLFFLAALSA-N 2 1 313.489 2.677 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490883085 429310359 /nfs/dbraw/zinc/31/03/59/429310359.db2.gz HFLPQOHJQRSRBP-FQEVSTJZSA-N 2 1 316.489 2.748 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425919211 429350470 /nfs/dbraw/zinc/35/04/70/429350470.db2.gz ITZBFEXLAZJGOD-CHWSQXEVSA-N 2 1 307.438 2.502 20 0 DFADMP Cc1cc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)ccc1F ZINC000425902385 429350566 /nfs/dbraw/zinc/35/05/66/429350566.db2.gz SEIKHWOTCSQTGL-UHFFFAOYSA-N 2 1 303.381 2.879 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000449236043 429364193 /nfs/dbraw/zinc/36/41/93/429364193.db2.gz WMAYLBRQAHZXBT-RBUKOAKNSA-N 2 1 302.462 2.922 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1O ZINC000426171166 429371302 /nfs/dbraw/zinc/37/13/02/429371302.db2.gz HFAPDZLKDYIFBR-LZWOXQAQSA-N 2 1 306.450 2.794 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1O ZINC000426171166 429371307 /nfs/dbraw/zinc/37/13/07/429371307.db2.gz HFAPDZLKDYIFBR-LZWOXQAQSA-N 2 1 306.450 2.794 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CCCOC(C)C)CC2)nc(C)[nH+]1 ZINC000365789062 429371731 /nfs/dbraw/zinc/37/17/31/429371731.db2.gz VXPLIKXSUVCNAQ-UHFFFAOYSA-N 2 1 320.481 2.809 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)CCCOC(C)C)CC2)nc(C)[nH+]1 ZINC000365789062 429371735 /nfs/dbraw/zinc/37/17/35/429371735.db2.gz VXPLIKXSUVCNAQ-UHFFFAOYSA-N 2 1 320.481 2.809 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365799964 429375740 /nfs/dbraw/zinc/37/57/40/429375740.db2.gz OCYOBYISJDPUOX-IBGZPJMESA-N 2 1 313.445 2.608 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](CO)(c2ccccc2)C1 ZINC000365799964 429375744 /nfs/dbraw/zinc/37/57/44/429375744.db2.gz OCYOBYISJDPUOX-IBGZPJMESA-N 2 1 313.445 2.608 20 0 DFADMP C[C@@H](C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C[NH+](C)C ZINC000491596465 429378810 /nfs/dbraw/zinc/37/88/10/429378810.db2.gz KOYZHKOIGDCENH-AWEZNQCLSA-N 2 1 306.450 2.929 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000426294278 429380402 /nfs/dbraw/zinc/38/04/02/429380402.db2.gz SWUSWCOQIYRRKQ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000426294278 429380403 /nfs/dbraw/zinc/38/04/03/429380403.db2.gz SWUSWCOQIYRRKQ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000426294278 429380407 /nfs/dbraw/zinc/38/04/07/429380407.db2.gz SWUSWCOQIYRRKQ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)s1 ZINC000426290605 429381631 /nfs/dbraw/zinc/38/16/31/429381631.db2.gz PSDCDAOKWFWRCN-MCIONIFRSA-N 2 1 308.495 2.666 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000426392603 429387859 /nfs/dbraw/zinc/38/78/59/429387859.db2.gz XPBOIMKHJWUCCD-ROUUACIJSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449326433 429388670 /nfs/dbraw/zinc/38/86/70/429388670.db2.gz VTMHAWZLKIVULZ-IKGGRYGDSA-N 2 1 309.498 2.665 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C2CC2)CC1 ZINC000426414543 429390559 /nfs/dbraw/zinc/39/05/59/429390559.db2.gz BSAYLPXVVVRKSH-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426414543 429390562 /nfs/dbraw/zinc/39/05/62/429390562.db2.gz BSAYLPXVVVRKSH-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426414543 429390568 /nfs/dbraw/zinc/39/05/68/429390568.db2.gz BSAYLPXVVVRKSH-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP CCCc1csc(C[NH+]2CCC(OCC[NH+](C)C)CC2)n1 ZINC000426406491 429390875 /nfs/dbraw/zinc/39/08/75/429390875.db2.gz PUUYRJSVIDIYJF-UHFFFAOYSA-N 2 1 311.495 2.638 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000518970745 429441620 /nfs/dbraw/zinc/44/16/20/429441620.db2.gz NTNJTVPDMRDIDZ-KURKYZTESA-N 2 1 323.525 2.912 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000427277871 429441764 /nfs/dbraw/zinc/44/17/64/429441764.db2.gz UEKKCVCDVJOAOV-DOTOQJQBSA-N 2 1 315.461 2.999 20 0 DFADMP C[NH+]1CCC(CC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366254896 429442422 /nfs/dbraw/zinc/44/24/22/429442422.db2.gz IYQWMHXIFOQKED-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)ccc1C ZINC000518996122 429444134 /nfs/dbraw/zinc/44/41/34/429444134.db2.gz SWFJBJSASDPJRO-INIZCTEOSA-N 2 1 318.461 2.689 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000449621109 429463194 /nfs/dbraw/zinc/46/31/94/429463194.db2.gz GREQWQGILHCJOI-HZPDHXFCSA-N 2 1 324.490 2.669 20 0 DFADMP C[N@@H+](CCCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC000457163118 429415890 /nfs/dbraw/zinc/41/58/90/429415890.db2.gz GOGRBGKOJLETTP-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC000457163118 429415894 /nfs/dbraw/zinc/41/58/94/429415894.db2.gz GOGRBGKOJLETTP-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC000457163118 429415898 /nfs/dbraw/zinc/41/58/98/429415898.db2.gz GOGRBGKOJLETTP-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)CC(C)(C)O)sc2C1 ZINC000449453049 429422144 /nfs/dbraw/zinc/42/21/44/429422144.db2.gz WBEBNAGYOYENRK-GFCCVEGCSA-N 2 1 311.495 2.549 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)CC(C)(C)O)sc2C1 ZINC000449453049 429422147 /nfs/dbraw/zinc/42/21/47/429422147.db2.gz WBEBNAGYOYENRK-GFCCVEGCSA-N 2 1 311.495 2.549 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000427119741 429433932 /nfs/dbraw/zinc/43/39/32/429433932.db2.gz MFWSPELGOHPDNN-LXZKKBNFSA-N 2 1 306.425 2.697 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2ccnn2C)c1 ZINC000427121470 429434063 /nfs/dbraw/zinc/43/40/63/429434063.db2.gz ITKLREDLGVXSGO-FUHWJXTLSA-N 2 1 310.445 2.579 20 0 DFADMP CCC(CC)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449498448 429434463 /nfs/dbraw/zinc/43/44/63/429434463.db2.gz LIWAIDRPFRRYDH-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CCC(CC)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449498448 429434466 /nfs/dbraw/zinc/43/44/66/429434466.db2.gz LIWAIDRPFRRYDH-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CCC(CC)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449498448 429434470 /nfs/dbraw/zinc/43/44/70/429434470.db2.gz LIWAIDRPFRRYDH-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CCC(CC)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449498448 429434473 /nfs/dbraw/zinc/43/44/73/429434473.db2.gz LIWAIDRPFRRYDH-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000427141253 429435144 /nfs/dbraw/zinc/43/51/44/429435144.db2.gz ACSDCOVZOZBBRM-KRWDZBQOSA-N 2 1 323.525 2.593 20 0 DFADMP CC(C)c1nc([C@@H]2CCCN2CCCc2c[nH+]cn2C)no1 ZINC000518790947 429435674 /nfs/dbraw/zinc/43/56/74/429435674.db2.gz RUIXYTZDPPAWPC-AWEZNQCLSA-N 2 1 303.410 2.696 20 0 DFADMP CCC[C@@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449503802 429436785 /nfs/dbraw/zinc/43/67/85/429436785.db2.gz QAJNRYCOROOEKU-IEBWSBKVSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449503802 429436786 /nfs/dbraw/zinc/43/67/86/429436786.db2.gz QAJNRYCOROOEKU-IEBWSBKVSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@@H](C)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449503802 429436790 /nfs/dbraw/zinc/43/67/90/429436790.db2.gz QAJNRYCOROOEKU-IEBWSBKVSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@@H](C)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449503802 429436792 /nfs/dbraw/zinc/43/67/92/429436792.db2.gz QAJNRYCOROOEKU-IEBWSBKVSA-N 2 1 323.525 2.689 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000520799773 429528694 /nfs/dbraw/zinc/52/86/94/429528694.db2.gz VEXTVTXQTORRIU-FRFSOERESA-N 2 1 308.853 2.631 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000520799773 429528697 /nfs/dbraw/zinc/52/86/97/429528697.db2.gz VEXTVTXQTORRIU-FRFSOERESA-N 2 1 308.853 2.631 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000519747616 429484500 /nfs/dbraw/zinc/48/45/00/429484500.db2.gz HEJNHFITCBJWSL-INIZCTEOSA-N 2 1 316.449 2.532 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000457582221 429490422 /nfs/dbraw/zinc/49/04/22/429490422.db2.gz RSMQMMVPGUVFBO-QAPCUYQASA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000366694722 429495632 /nfs/dbraw/zinc/49/56/32/429495632.db2.gz LBICMJXPXMLRIZ-VQIMIIECSA-N 3 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2=CC[N@H+](C)CC2)CC1 ZINC000366694722 429495637 /nfs/dbraw/zinc/49/56/37/429495637.db2.gz LBICMJXPXMLRIZ-VQIMIIECSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC2=CC[N@@H+](C)CC2)CC1 ZINC000366694722 429495643 /nfs/dbraw/zinc/49/56/43/429495643.db2.gz LBICMJXPXMLRIZ-VQIMIIECSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000366694721 429496237 /nfs/dbraw/zinc/49/62/37/429496237.db2.gz LBICMJXPXMLRIZ-QFBILLFUSA-N 3 1 305.510 2.881 20 0 DFADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2=CC[N@H+](C)CC2)CC1 ZINC000366694721 429496240 /nfs/dbraw/zinc/49/62/40/429496240.db2.gz LBICMJXPXMLRIZ-QFBILLFUSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC2=CC[N@@H+](C)CC2)CC1 ZINC000366694721 429496244 /nfs/dbraw/zinc/49/62/44/429496244.db2.gz LBICMJXPXMLRIZ-QFBILLFUSA-N 2 1 305.510 2.881 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)o1 ZINC000428206301 429498924 /nfs/dbraw/zinc/49/89/24/429498924.db2.gz KOTHHXGGHRVGMN-MRXNPFEDSA-N 2 1 323.481 2.868 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000449783205 429509710 /nfs/dbraw/zinc/50/97/10/429509710.db2.gz NIISVLHFOGXHQB-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000449783205 429509714 /nfs/dbraw/zinc/50/97/14/429509714.db2.gz NIISVLHFOGXHQB-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428375817 429515298 /nfs/dbraw/zinc/51/52/98/429515298.db2.gz CYVCVAJQZRUJTE-HOCLYGCPSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428375817 429515300 /nfs/dbraw/zinc/51/53/00/429515300.db2.gz CYVCVAJQZRUJTE-HOCLYGCPSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000428375817 429515302 /nfs/dbraw/zinc/51/53/02/429515302.db2.gz CYVCVAJQZRUJTE-HOCLYGCPSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000428375817 429515304 /nfs/dbraw/zinc/51/53/04/429515304.db2.gz CYVCVAJQZRUJTE-HOCLYGCPSA-N 2 1 303.450 2.994 20 0 DFADMP CCCCNC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366817871 429519809 /nfs/dbraw/zinc/51/98/09/429519809.db2.gz IDMPEUNMHGFQJP-GOSISDBHSA-N 2 1 302.466 2.813 20 0 DFADMP CCC[C@H](C)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431610 429521036 /nfs/dbraw/zinc/52/10/36/429521036.db2.gz MRMVUMPUTUMMFA-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H](C)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431610 429521038 /nfs/dbraw/zinc/52/10/38/429521038.db2.gz MRMVUMPUTUMMFA-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H](C)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428431610 429521043 /nfs/dbraw/zinc/52/10/43/429521043.db2.gz MRMVUMPUTUMMFA-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H](C)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428431610 429521048 /nfs/dbraw/zinc/52/10/48/429521048.db2.gz MRMVUMPUTUMMFA-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc2c(c1)OCO2 ZINC000520604278 429521242 /nfs/dbraw/zinc/52/12/42/429521242.db2.gz QBGYJWOUWKQUHO-UHFFFAOYSA-N 2 1 301.390 2.604 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc2c(c1)OCO2 ZINC000520604278 429521247 /nfs/dbraw/zinc/52/12/47/429521247.db2.gz QBGYJWOUWKQUHO-UHFFFAOYSA-N 2 1 301.390 2.604 20 0 DFADMP COc1cc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)ccc1O ZINC000521447375 429553631 /nfs/dbraw/zinc/55/36/31/429553631.db2.gz XVXBPACHTCQMPA-UHFFFAOYSA-N 2 1 312.413 2.679 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624739 429558254 /nfs/dbraw/zinc/55/82/54/429558254.db2.gz IVZOEVWHIRPRMS-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624739 429558259 /nfs/dbraw/zinc/55/82/59/429558259.db2.gz IVZOEVWHIRPRMS-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000367052059 429565126 /nfs/dbraw/zinc/56/51/26/429565126.db2.gz HMFUUCHJPZBINA-IIAWOOMASA-N 2 1 323.506 2.587 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429034398 429572717 /nfs/dbraw/zinc/57/27/17/429572717.db2.gz IHUUOSJSRZIWIB-KXBFYZLASA-N 2 1 315.461 2.604 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C ZINC000429037262 429575491 /nfs/dbraw/zinc/57/54/91/429575491.db2.gz TYWQFZHKBHPXCW-SUNYJGFJSA-N 2 1 317.477 2.869 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@@H](C)C2)c1C ZINC000429037262 429575493 /nfs/dbraw/zinc/57/54/93/429575493.db2.gz TYWQFZHKBHPXCW-SUNYJGFJSA-N 2 1 317.477 2.869 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492608752 429576818 /nfs/dbraw/zinc/57/68/18/429576818.db2.gz MIDWOQKMDNORSI-AWEZNQCLSA-N 2 1 313.486 2.704 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492608752 429576819 /nfs/dbraw/zinc/57/68/19/429576819.db2.gz MIDWOQKMDNORSI-AWEZNQCLSA-N 2 1 313.486 2.704 20 0 DFADMP CCc1cc(NCCc2[nH+]ccn2Cc2ccccc2)cc[nH+]1 ZINC000450241060 429584543 /nfs/dbraw/zinc/58/45/43/429584543.db2.gz HYLUDYISUOGZHM-UHFFFAOYSA-N 2 1 306.413 2.965 20 0 DFADMP Cc1cccc(NC2CC[NH+](C[C@](C)(O)C(F)(F)F)CC2)[nH+]1 ZINC000366895961 429535599 /nfs/dbraw/zinc/53/55/99/429535599.db2.gz KRYQZDSDCXJWEI-AWEZNQCLSA-N 2 1 317.355 2.580 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@@H](O)c1ccccc1)CC2)C1CC1 ZINC000367308931 429616811 /nfs/dbraw/zinc/61/68/11/429616811.db2.gz GFPZGKUMRMLOGJ-PKOBYXMFSA-N 2 1 314.473 2.916 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450404195 429619193 /nfs/dbraw/zinc/61/91/93/429619193.db2.gz CIZFDEPJISFWED-AWEZNQCLSA-N 2 1 304.425 2.591 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450404195 429619194 /nfs/dbraw/zinc/61/91/94/429619194.db2.gz CIZFDEPJISFWED-AWEZNQCLSA-N 2 1 304.425 2.591 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450427808 429624032 /nfs/dbraw/zinc/62/40/32/429624032.db2.gz GJBREPLAHYBAQG-ZIFCJYIRSA-N 2 1 302.462 2.569 20 0 DFADMP C[N@@H+](CCN1CC[C@@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000450438276 429625327 /nfs/dbraw/zinc/62/53/27/429625327.db2.gz LTAGQIHZKXABAQ-FQEVSTJZSA-N 2 1 315.505 2.926 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@H](C)O)C[C@@H]3C)c2c1 ZINC000450452762 429629693 /nfs/dbraw/zinc/62/96/93/429629693.db2.gz ICFLXICAEWGFFC-GJZGRUSLSA-N 2 1 313.445 2.689 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450454371 429629871 /nfs/dbraw/zinc/62/98/71/429629871.db2.gz OHHYSLUWVRRBSK-KPFFTGBYSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000450454371 429629876 /nfs/dbraw/zinc/62/98/76/429629876.db2.gz OHHYSLUWVRRBSK-KPFFTGBYSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000450454371 429629878 /nfs/dbraw/zinc/62/98/78/429629878.db2.gz OHHYSLUWVRRBSK-KPFFTGBYSA-N 2 1 316.489 2.815 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450461207 429631055 /nfs/dbraw/zinc/63/10/55/429631055.db2.gz VDIVKOMRZKWBAL-JENIJYKNSA-N 2 1 304.478 2.815 20 0 DFADMP CCc1cc(CCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)on1 ZINC000450456324 429632396 /nfs/dbraw/zinc/63/23/96/429632396.db2.gz XCMUXEIYWVXQLW-INIZCTEOSA-N 2 1 305.466 2.833 20 0 DFADMP CCc1cc(CCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)on1 ZINC000450456324 429632400 /nfs/dbraw/zinc/63/24/00/429632400.db2.gz XCMUXEIYWVXQLW-INIZCTEOSA-N 2 1 305.466 2.833 20 0 DFADMP CCc1cc(CCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)on1 ZINC000450456324 429632403 /nfs/dbraw/zinc/63/24/03/429632403.db2.gz XCMUXEIYWVXQLW-INIZCTEOSA-N 2 1 305.466 2.833 20 0 DFADMP CCc1cc(CCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)on1 ZINC000450456324 429632406 /nfs/dbraw/zinc/63/24/06/429632406.db2.gz XCMUXEIYWVXQLW-INIZCTEOSA-N 2 1 305.466 2.833 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CCC[N@H+]([C@@H](C)CO)CC3)c2c1 ZINC000450476781 429635726 /nfs/dbraw/zinc/63/57/26/429635726.db2.gz ROUVGOIISLBKCJ-HNNXBMFYSA-N 2 1 313.445 2.690 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367264196 429607032 /nfs/dbraw/zinc/60/70/32/429607032.db2.gz KYTRHTHXXVYCIB-HXFGRODQSA-N 2 1 300.446 2.631 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367264196 429607036 /nfs/dbraw/zinc/60/70/36/429607036.db2.gz KYTRHTHXXVYCIB-HXFGRODQSA-N 2 1 300.446 2.631 20 0 DFADMP OC[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1c1ccc(F)cc1 ZINC000429407611 429607093 /nfs/dbraw/zinc/60/70/93/429607093.db2.gz JXFMRGPSIDMENA-NCXUSEDFSA-N 2 1 318.436 2.508 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(c2ncnc3[nH]c4ccccc4c32)C1 ZINC000450360228 429608591 /nfs/dbraw/zinc/60/85/91/429608591.db2.gz KBUQEPVDZSRGPJ-CYBMUJFWSA-N 2 1 309.417 2.889 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCOCC4)C3)c2c1 ZINC000450360275 429608613 /nfs/dbraw/zinc/60/86/13/429608613.db2.gz ZHADHJHTNMBPSR-INIZCTEOSA-N 2 1 311.429 2.708 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000429453803 429609122 /nfs/dbraw/zinc/60/91/22/429609122.db2.gz RWLPWJIGNWXAQO-YYIAUSFCSA-N 2 1 324.415 2.503 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450373326 429612709 /nfs/dbraw/zinc/61/27/09/429612709.db2.gz TXIQXSJZDGWWCK-KBPBESRZSA-N 2 1 304.425 2.589 20 0 DFADMP CSC1(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CC1 ZINC000367294353 429613010 /nfs/dbraw/zinc/61/30/10/429613010.db2.gz KCISAHUNFUXUJR-UHFFFAOYSA-N 2 1 323.506 2.989 20 0 DFADMP OCCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000450602029 429658454 /nfs/dbraw/zinc/65/84/54/429658454.db2.gz ZMXSJDCEAVEMEW-AWEZNQCLSA-N 2 1 319.836 2.569 20 0 DFADMP OCCC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000450602029 429658457 /nfs/dbraw/zinc/65/84/57/429658457.db2.gz ZMXSJDCEAVEMEW-AWEZNQCLSA-N 2 1 319.836 2.569 20 0 DFADMP OCCC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000450602030 429658634 /nfs/dbraw/zinc/65/86/34/429658634.db2.gz ZMXSJDCEAVEMEW-CQSZACIVSA-N 2 1 319.836 2.569 20 0 DFADMP OCCC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000450602030 429658636 /nfs/dbraw/zinc/65/86/36/429658636.db2.gz ZMXSJDCEAVEMEW-CQSZACIVSA-N 2 1 319.836 2.569 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000367518459 429664586 /nfs/dbraw/zinc/66/45/86/429664586.db2.gz IIVXYDRUDIYQTP-UFYCRDLUSA-N 2 1 324.472 2.894 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000367540061 429667289 /nfs/dbraw/zinc/66/72/89/429667289.db2.gz HMYCPABNYZKSPY-GOSISDBHSA-N 2 1 312.461 2.730 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367540061 429667293 /nfs/dbraw/zinc/66/72/93/429667293.db2.gz HMYCPABNYZKSPY-GOSISDBHSA-N 2 1 312.461 2.730 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000357401504 276115275 /nfs/dbraw/zinc/11/52/75/276115275.db2.gz PTIOYLIDUXGGJZ-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000356219316 276198333 /nfs/dbraw/zinc/19/83/33/276198333.db2.gz GTDDIJJXVKDCGU-YTQUADARSA-N 2 1 305.510 2.691 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548579 429689454 /nfs/dbraw/zinc/68/94/54/429689454.db2.gz MCSRQKFURWWRRW-VUROTCPHSA-N 2 1 321.509 2.615 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548579 429689458 /nfs/dbraw/zinc/68/94/58/429689458.db2.gz MCSRQKFURWWRRW-VUROTCPHSA-N 2 1 321.509 2.615 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000366220836 276231495 /nfs/dbraw/zinc/23/14/95/276231495.db2.gz VZBJFZHYFFERMA-QRTARXTBSA-N 2 1 323.431 2.863 20 0 DFADMP CC[N@H+]1C[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000359392444 276253219 /nfs/dbraw/zinc/25/32/19/276253219.db2.gz OKJIBELMEXALSF-FFZOFVMBSA-N 2 1 315.505 2.827 20 0 DFADMP CC[N@@H+]1C[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000359392444 276253221 /nfs/dbraw/zinc/25/32/21/276253221.db2.gz OKJIBELMEXALSF-FFZOFVMBSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000359392444 276253223 /nfs/dbraw/zinc/25/32/23/276253223.db2.gz OKJIBELMEXALSF-FFZOFVMBSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000359392444 276253224 /nfs/dbraw/zinc/25/32/24/276253224.db2.gz OKJIBELMEXALSF-FFZOFVMBSA-N 2 1 315.505 2.827 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@@H]2CCC[C@@H]21 ZINC000367611288 429684064 /nfs/dbraw/zinc/68/40/64/429684064.db2.gz BNNZZHHCMBVJIO-BZSNNMDCSA-N 2 1 302.466 2.961 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@@H]2CCC[C@@H]21 ZINC000367611288 429684068 /nfs/dbraw/zinc/68/40/68/429684068.db2.gz BNNZZHHCMBVJIO-BZSNNMDCSA-N 2 1 302.466 2.961 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367621288 429686898 /nfs/dbraw/zinc/68/68/98/429686898.db2.gz ZVOCVNKCODMVOI-KURKYZTESA-N 2 1 301.434 2.607 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000246258668 276311728 /nfs/dbraw/zinc/31/17/28/276311728.db2.gz KPCRVDUKTQBQRE-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000246258668 276311729 /nfs/dbraw/zinc/31/17/29/276311729.db2.gz KPCRVDUKTQBQRE-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000246258668 276311730 /nfs/dbraw/zinc/31/17/30/276311730.db2.gz KPCRVDUKTQBQRE-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430556775 429691632 /nfs/dbraw/zinc/69/16/32/429691632.db2.gz VDQPIVMKNGWIFT-SFHVURJKSA-N 2 1 319.493 2.878 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000430556775 429691634 /nfs/dbraw/zinc/69/16/34/429691634.db2.gz VDQPIVMKNGWIFT-SFHVURJKSA-N 2 1 319.493 2.878 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430554817 429691744 /nfs/dbraw/zinc/69/17/44/429691744.db2.gz NVLPGYOAQLHGBW-WBVHZDCISA-N 2 1 319.493 2.949 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430554817 429691747 /nfs/dbraw/zinc/69/17/47/429691747.db2.gz NVLPGYOAQLHGBW-WBVHZDCISA-N 2 1 319.493 2.949 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430572027 429694088 /nfs/dbraw/zinc/69/40/88/429694088.db2.gz IZQBUSZBQZBMRJ-LRDDRELGSA-N 2 1 307.413 2.522 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430572027 429694092 /nfs/dbraw/zinc/69/40/92/429694092.db2.gz IZQBUSZBQZBMRJ-LRDDRELGSA-N 2 1 307.413 2.522 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430585171 429696160 /nfs/dbraw/zinc/69/61/60/429696160.db2.gz PXJIIQSPCYLGOU-MAUKXSAKSA-N 2 1 317.477 2.632 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000430585171 429696162 /nfs/dbraw/zinc/69/61/62/429696162.db2.gz PXJIIQSPCYLGOU-MAUKXSAKSA-N 2 1 317.477 2.632 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360032032 276360727 /nfs/dbraw/zinc/36/07/27/276360727.db2.gz RTJNVDFKCSOGMD-DAWZGUTISA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583781 429696576 /nfs/dbraw/zinc/69/65/76/429696576.db2.gz TUJBPACJEXHYON-GOEBONIOSA-N 2 1 314.433 2.728 20 0 DFADMP Cc1cccn2c(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000367690008 429701113 /nfs/dbraw/zinc/70/11/13/429701113.db2.gz SVCRKISKBUCPCN-KRWDZBQOSA-N 2 1 312.461 2.806 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430625594 429703388 /nfs/dbraw/zinc/70/33/88/429703388.db2.gz QOHQHXVGAGSUDT-LBPRGKRZSA-N 2 1 320.824 2.603 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367738360 429709504 /nfs/dbraw/zinc/70/95/04/429709504.db2.gz UAKQOJXDCUMTIM-GUDVDZBRSA-N 2 1 315.461 2.650 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]CC3(F)CC3)cc2)C[C@H](C)O1 ZINC000526973291 429711689 /nfs/dbraw/zinc/71/16/89/429711689.db2.gz ONZRKTFGWTWLJH-GASCZTMLSA-N 2 1 306.425 2.888 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000430731247 429712498 /nfs/dbraw/zinc/71/24/98/429712498.db2.gz LFYVXNCJLAYHPY-DLBZAZTESA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000430721364 429712583 /nfs/dbraw/zinc/71/25/83/429712583.db2.gz BZASOQWTCKHNCW-OAHLLOKOSA-N 2 1 323.868 2.548 20 0 DFADMP CC(C)([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000430721364 429712587 /nfs/dbraw/zinc/71/25/87/429712587.db2.gz BZASOQWTCKHNCW-OAHLLOKOSA-N 2 1 323.868 2.548 20 0 DFADMP CC(C)[C@H](C[NH2+]C1CCN(c2nccs2)CC1)[NH+]1CCCC1 ZINC000367791666 429717376 /nfs/dbraw/zinc/71/73/76/429717376.db2.gz MBNFYXKLNLXWCG-INIZCTEOSA-N 2 1 322.522 2.822 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1[NH3+] ZINC000430915560 429723475 /nfs/dbraw/zinc/72/34/75/429723475.db2.gz DCGDTPHJWHOAPB-HNAYVOBHSA-N 2 1 311.429 2.830 20 0 DFADMP COC[C@@H](C)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000527108709 429724718 /nfs/dbraw/zinc/72/47/18/429724718.db2.gz YFLYNEQSTPSMIH-FUHWJXTLSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@@H](C)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000527108709 429724723 /nfs/dbraw/zinc/72/47/23/429724723.db2.gz YFLYNEQSTPSMIH-FUHWJXTLSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@@H](C)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000527108709 429724728 /nfs/dbraw/zinc/72/47/28/429724728.db2.gz YFLYNEQSTPSMIH-FUHWJXTLSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@@H](C)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000527108709 429724730 /nfs/dbraw/zinc/72/47/30/429724730.db2.gz YFLYNEQSTPSMIH-FUHWJXTLSA-N 2 1 305.466 2.650 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCCSC3)C2)nc(C)[nH+]1 ZINC000367829908 429725399 /nfs/dbraw/zinc/72/53/99/429725399.db2.gz DKVCMLBXKKEECO-GJZGRUSLSA-N 2 1 306.479 2.547 20 0 DFADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000482541103 429725929 /nfs/dbraw/zinc/72/59/29/429725929.db2.gz DRQSRPTWVWCOEI-XDNAFOTISA-N 2 1 323.525 2.624 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430960228 429728665 /nfs/dbraw/zinc/72/86/65/429728665.db2.gz HQPRZQHFJCSAOU-JKSUJKDBSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430960228 429728669 /nfs/dbraw/zinc/72/86/69/429728669.db2.gz HQPRZQHFJCSAOU-JKSUJKDBSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430964947 429731630 /nfs/dbraw/zinc/73/16/30/429731630.db2.gz JUTKUYVGHXVAJG-RHSMWYFYSA-N 2 1 311.429 2.838 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062425 429737422 /nfs/dbraw/zinc/73/74/22/429737422.db2.gz QCTLHQKCCFCFNS-NVXWUHKLSA-N 2 1 315.461 2.600 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431034881 429738192 /nfs/dbraw/zinc/73/81/92/429738192.db2.gz PGJYWKZIXBKHMJ-NJAFHUGGSA-N 2 1 317.477 2.798 20 0 DFADMP CCC[N@@H+](CCC(=O)NCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431074601 429738869 /nfs/dbraw/zinc/73/88/69/429738869.db2.gz WGDVMKXQIOBKHX-UHFFFAOYSA-N 2 1 309.498 2.537 20 0 DFADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103121 429744869 /nfs/dbraw/zinc/74/48/69/429744869.db2.gz VWESXOTUTLTKON-JSGCOSHPSA-N 2 1 300.406 2.641 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[NH+](CC[C@H]3CCC[N@@H+]3C)C1)CCCC2 ZINC000432078723 429798869 /nfs/dbraw/zinc/79/88/69/429798869.db2.gz RHPKPFITLBIMMJ-SJORKVTESA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@@H+](CC[C@H]3CCC[NH+]3C)C1)CCCC2 ZINC000432078723 429798874 /nfs/dbraw/zinc/79/88/74/429798874.db2.gz RHPKPFITLBIMMJ-SJORKVTESA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@H+](CC[C@H]3CCC[NH+]3C)C1)CCCC2 ZINC000432078723 429798877 /nfs/dbraw/zinc/79/88/77/429798877.db2.gz RHPKPFITLBIMMJ-SJORKVTESA-N 2 1 316.493 2.801 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093047 429800092 /nfs/dbraw/zinc/80/00/92/429800092.db2.gz ZYHGJNSRHMPBLJ-IRXDYDNUSA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093047 429800094 /nfs/dbraw/zinc/80/00/94/429800094.db2.gz ZYHGJNSRHMPBLJ-IRXDYDNUSA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093047 429800098 /nfs/dbraw/zinc/80/00/98/429800098.db2.gz ZYHGJNSRHMPBLJ-IRXDYDNUSA-N 2 1 316.493 2.883 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000451065873 429760241 /nfs/dbraw/zinc/76/02/41/429760241.db2.gz WAIRAKBXLKIQLN-AKHDSKFASA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000451065873 429760244 /nfs/dbraw/zinc/76/02/44/429760244.db2.gz WAIRAKBXLKIQLN-AKHDSKFASA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000451065873 429760246 /nfs/dbraw/zinc/76/02/46/429760246.db2.gz WAIRAKBXLKIQLN-AKHDSKFASA-N 2 1 307.526 2.911 20 0 DFADMP Cn1c2cc(F)ccc2nc1NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000431428314 429762274 /nfs/dbraw/zinc/76/22/74/429762274.db2.gz TUXDVMGAZDHVEI-AWEZNQCLSA-N 2 1 302.397 3.141 20 0 DFADMP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC000368015180 429765876 /nfs/dbraw/zinc/76/58/76/429765876.db2.gz BVOBAMGTACWRKU-GGXGYQBMSA-N 2 1 322.399 2.664 20 0 DFADMP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC000368015180 429765880 /nfs/dbraw/zinc/76/58/80/429765880.db2.gz BVOBAMGTACWRKU-GGXGYQBMSA-N 2 1 322.399 2.664 20 0 DFADMP COc1ccc(O)cc1[C@H](C)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000368020381 429768610 /nfs/dbraw/zinc/76/86/10/429768610.db2.gz VTQZZJZJMILZTE-USJZOSNVSA-N 2 1 316.445 2.878 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccs1 ZINC000431572253 429770869 /nfs/dbraw/zinc/77/08/69/429770869.db2.gz SRYZOBFPMJPOQA-LSDHHAIUSA-N 2 1 323.506 2.732 20 0 DFADMP Cc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)ccn1 ZINC000527671065 429776809 /nfs/dbraw/zinc/77/68/09/429776809.db2.gz UKDQZFIQIYNHEP-UHFFFAOYSA-N 2 1 311.433 2.555 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000431727621 429779616 /nfs/dbraw/zinc/77/96/16/429779616.db2.gz LDHKCPFDDJSEJT-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3cc[nH]c3c2)CCCO1 ZINC000527700539 429782060 /nfs/dbraw/zinc/78/20/60/429782060.db2.gz MCRMPTRDASZKGJ-OAHLLOKOSA-N 2 1 301.434 2.758 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431788941 429782428 /nfs/dbraw/zinc/78/24/28/429782428.db2.gz OVLNNLVMCQZNCX-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431788941 429782431 /nfs/dbraw/zinc/78/24/31/429782431.db2.gz OVLNNLVMCQZNCX-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431788941 429782434 /nfs/dbraw/zinc/78/24/34/429782434.db2.gz OVLNNLVMCQZNCX-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431912752 429789833 /nfs/dbraw/zinc/78/98/33/429789833.db2.gz JXEYIECEAQADRK-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368134601 429795610 /nfs/dbraw/zinc/79/56/10/429795610.db2.gz MPLFGTKHFQWBMR-OAHLLOKOSA-N 2 1 301.438 2.663 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368134601 429795614 /nfs/dbraw/zinc/79/56/14/429795614.db2.gz MPLFGTKHFQWBMR-OAHLLOKOSA-N 2 1 301.438 2.663 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1CC12CC2 ZINC000527887773 429815043 /nfs/dbraw/zinc/81/50/43/429815043.db2.gz OYSQSPJLOVARCV-ZYSHUDEJSA-N 2 1 314.473 2.922 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1CC(O)C1 ZINC000432363959 429818372 /nfs/dbraw/zinc/81/83/72/429818372.db2.gz DVXAPNOOPPIIED-UHFFFAOYSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000432413388 429822247 /nfs/dbraw/zinc/82/22/47/429822247.db2.gz LYTLKVSSSTVVQD-WMZOPIPTSA-N 2 1 305.466 2.869 20 0 DFADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000432413388 429822248 /nfs/dbraw/zinc/82/22/48/429822248.db2.gz LYTLKVSSSTVVQD-WMZOPIPTSA-N 2 1 305.466 2.869 20 0 DFADMP OC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000432427588 429823973 /nfs/dbraw/zinc/82/39/73/429823973.db2.gz ZRIKDVOSAJIWDT-DRRJLQACSA-N 2 1 314.473 2.648 20 0 DFADMP CC/C=C\CC[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451528661 429843201 /nfs/dbraw/zinc/84/32/01/429843201.db2.gz LSPJMWJDWJRSAK-PHWHVTFISA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C\CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528661 429843205 /nfs/dbraw/zinc/84/32/05/429843205.db2.gz LSPJMWJDWJRSAK-PHWHVTFISA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C\CC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528661 429843209 /nfs/dbraw/zinc/84/32/09/429843209.db2.gz LSPJMWJDWJRSAK-PHWHVTFISA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C\CC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528661 429843212 /nfs/dbraw/zinc/84/32/12/429843212.db2.gz LSPJMWJDWJRSAK-PHWHVTFISA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C\CC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528661 429843214 /nfs/dbraw/zinc/84/32/14/429843214.db2.gz LSPJMWJDWJRSAK-PHWHVTFISA-N 2 1 321.509 2.609 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000368504227 429859637 /nfs/dbraw/zinc/85/96/37/429859637.db2.gz UBLVXXYUANARLC-ZFWWWQNUSA-N 2 1 317.408 2.814 20 0 DFADMP CCC[N@H+](C)C[C@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000368561404 429866722 /nfs/dbraw/zinc/86/67/22/429866722.db2.gz KEFOQWVIEZIYNW-MRXNPFEDSA-N 2 1 313.449 2.744 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000368561404 429866724 /nfs/dbraw/zinc/86/67/24/429866724.db2.gz KEFOQWVIEZIYNW-MRXNPFEDSA-N 2 1 313.449 2.744 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CC12CC2 ZINC000527861222 429812298 /nfs/dbraw/zinc/81/22/98/429812298.db2.gz CMKLEODQDZXSNW-JCHJZTRSSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CC12CC2 ZINC000527861222 429812302 /nfs/dbraw/zinc/81/23/02/429812302.db2.gz CMKLEODQDZXSNW-JCHJZTRSSA-N 2 1 314.473 2.648 20 0 DFADMP Fc1cncc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000494563687 429880272 /nfs/dbraw/zinc/88/02/72/429880272.db2.gz IKKYAELIKSOYJX-KRWDZBQOSA-N 2 1 313.420 2.875 20 0 DFADMP Fc1cncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000494563687 429880274 /nfs/dbraw/zinc/88/02/74/429880274.db2.gz IKKYAELIKSOYJX-KRWDZBQOSA-N 2 1 313.420 2.875 20 0 DFADMP Fc1cncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000494563687 429880275 /nfs/dbraw/zinc/88/02/75/429880275.db2.gz IKKYAELIKSOYJX-KRWDZBQOSA-N 2 1 313.420 2.875 20 0 DFADMP CSCCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368633097 429880907 /nfs/dbraw/zinc/88/09/07/429880907.db2.gz KULFRSITQPKKAV-BRWVUGGUSA-N 2 1 314.539 2.999 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528390336 429884483 /nfs/dbraw/zinc/88/44/83/429884483.db2.gz WXJBDKCYZAMHBH-HKUYNNGSSA-N 2 1 320.452 2.801 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745438 429911976 /nfs/dbraw/zinc/91/19/76/429911976.db2.gz PVOUMRDQRJMGDI-MSOLQXFVSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745438 429911978 /nfs/dbraw/zinc/91/19/78/429911978.db2.gz PVOUMRDQRJMGDI-MSOLQXFVSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745438 429911979 /nfs/dbraw/zinc/91/19/79/429911979.db2.gz PVOUMRDQRJMGDI-MSOLQXFVSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745438 429911980 /nfs/dbraw/zinc/91/19/80/429911980.db2.gz PVOUMRDQRJMGDI-MSOLQXFVSA-N 2 1 320.452 2.849 20 0 DFADMP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2cnn(C(C)C)c2)CC1 ZINC000369098824 429912894 /nfs/dbraw/zinc/91/28/94/429912894.db2.gz FSHOMZZORAVAGB-UHFFFAOYSA-N 2 1 313.449 2.880 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCC[NH3+])cc2)C1 ZINC000573086657 429925228 /nfs/dbraw/zinc/92/52/28/429925228.db2.gz MWWZGUHPTQAFRY-MRXNPFEDSA-N 2 1 317.477 2.664 20 0 DFADMP c1cn2c(n1)C[C@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000369346635 429925825 /nfs/dbraw/zinc/92/58/25/429925825.db2.gz CSWVTEIHRLOIEX-GOSISDBHSA-N 2 1 324.472 2.700 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000573610546 429965344 /nfs/dbraw/zinc/96/53/44/429965344.db2.gz OJUAHVRSYWMKCF-LNLFQRSKSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000573610546 429965348 /nfs/dbraw/zinc/96/53/48/429965348.db2.gz OJUAHVRSYWMKCF-LNLFQRSKSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000573610546 429965351 /nfs/dbraw/zinc/96/53/51/429965351.db2.gz OJUAHVRSYWMKCF-LNLFQRSKSA-N 2 1 303.494 2.968 20 0 DFADMP C[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748356 429967910 /nfs/dbraw/zinc/96/79/10/429967910.db2.gz ZNGVYLTVVOLSKD-MOPGFXCFSA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748356 429967914 /nfs/dbraw/zinc/96/79/14/429967914.db2.gz ZNGVYLTVVOLSKD-MOPGFXCFSA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748356 429967918 /nfs/dbraw/zinc/96/79/18/429967918.db2.gz ZNGVYLTVVOLSKD-MOPGFXCFSA-N 2 1 315.505 2.923 20 0 DFADMP C[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748362 429968862 /nfs/dbraw/zinc/96/88/62/429968862.db2.gz ZNGVYLTVVOLSKD-OALUTQOASA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748362 429968863 /nfs/dbraw/zinc/96/88/63/429968863.db2.gz ZNGVYLTVVOLSKD-OALUTQOASA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@H]1C(C)(C)C ZINC000639748362 429968867 /nfs/dbraw/zinc/96/88/67/429968867.db2.gz ZNGVYLTVVOLSKD-OALUTQOASA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000558419612 429971633 /nfs/dbraw/zinc/97/16/33/429971633.db2.gz SGMLBTWPKHDWGJ-KRWDZBQOSA-N 2 1 302.462 2.874 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791222 429982140 /nfs/dbraw/zinc/98/21/40/429982140.db2.gz JHNZZGIGHOTIHW-DLBZAZTESA-N 2 1 310.445 2.903 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791222 429982143 /nfs/dbraw/zinc/98/21/43/429982143.db2.gz JHNZZGIGHOTIHW-DLBZAZTESA-N 2 1 310.445 2.903 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791222 429982146 /nfs/dbraw/zinc/98/21/46/429982146.db2.gz JHNZZGIGHOTIHW-DLBZAZTESA-N 2 1 310.445 2.903 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639792229 429983433 /nfs/dbraw/zinc/98/34/33/429983433.db2.gz PPGXGIRDTAXPCL-INIZCTEOSA-N 2 1 307.401 2.624 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639792229 429983438 /nfs/dbraw/zinc/98/34/38/429983438.db2.gz PPGXGIRDTAXPCL-INIZCTEOSA-N 2 1 307.401 2.624 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000369400353 429936204 /nfs/dbraw/zinc/93/62/04/429936204.db2.gz XEDWLUWSDNCBKN-KRWDZBQOSA-N 2 1 321.896 2.940 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000639660223 429936353 /nfs/dbraw/zinc/93/63/53/429936353.db2.gz DXSDTOJWSTZXRS-UHFFFAOYSA-N 2 1 313.445 2.560 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C12CCCCC2 ZINC000369433027 429944195 /nfs/dbraw/zinc/94/41/95/429944195.db2.gz CCWCQPPWCWVRCQ-ARFHVFGLSA-N 2 1 303.450 2.915 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1)C(C)C ZINC000573924462 429996688 /nfs/dbraw/zinc/99/66/88/429996688.db2.gz ULVAIMIOHYOTQY-GJZGRUSLSA-N 2 1 305.466 2.773 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H](n4ccnn4)CC3)cc2)cn1 ZINC000639846774 430000539 /nfs/dbraw/zinc/00/05/39/430000539.db2.gz YGCVFHGAQYVAAH-SFHVURJKSA-N 2 1 322.416 2.691 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000573982457 430001647 /nfs/dbraw/zinc/00/16/47/430001647.db2.gz DENUWSWGAGUGCX-NWDGAFQWSA-N 2 1 324.266 2.979 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000573982457 430001651 /nfs/dbraw/zinc/00/16/51/430001651.db2.gz DENUWSWGAGUGCX-NWDGAFQWSA-N 2 1 324.266 2.979 20 0 DFADMP CC(C)CC1([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639862979 430002367 /nfs/dbraw/zinc/00/23/67/430002367.db2.gz UJXLAYKULPEFDE-LJQANCHMSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)CC1([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639862979 430002371 /nfs/dbraw/zinc/00/23/71/430002371.db2.gz UJXLAYKULPEFDE-LJQANCHMSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000574139294 430015211 /nfs/dbraw/zinc/01/52/11/430015211.db2.gz AADWWHBJPCLRRO-LSDHHAIUSA-N 2 1 323.506 2.985 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCC3(F)F)C2)CC1 ZINC000560218229 430026911 /nfs/dbraw/zinc/02/69/11/430026911.db2.gz PQPQVWHGKVRGHH-CVEARBPZSA-N 2 1 315.452 2.522 20 0 DFADMP CCc1[nH+]c2ccccc2c(N2CC[N@@H+](CCO)[C@H](C)C2)c1C ZINC000561520780 430092451 /nfs/dbraw/zinc/09/24/51/430092451.db2.gz BWKOEDAZKLDJFB-CQSZACIVSA-N 2 1 313.445 2.608 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000634732807 430093343 /nfs/dbraw/zinc/09/33/43/430093343.db2.gz PHFXLKMDCOKOFL-HNNXBMFYSA-N 2 1 304.434 2.716 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000634732549 430093999 /nfs/dbraw/zinc/09/39/99/430093999.db2.gz IWYCQLUXGMRCQR-GXTWGEPZSA-N 2 1 309.479 2.862 20 0 DFADMP C/C(=C\c1ccccc1)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000561981760 430104857 /nfs/dbraw/zinc/10/48/57/430104857.db2.gz FWYIEDUKJPUNGQ-FBMGVBCBSA-N 2 1 303.494 2.905 20 0 DFADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530226528 430105661 /nfs/dbraw/zinc/10/56/61/430105661.db2.gz RRTFCPQZIMAPCT-KSZLIROESA-N 2 1 307.397 2.548 20 0 DFADMP CC(C)[C@@H](CO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000562060117 430106835 /nfs/dbraw/zinc/10/68/35/430106835.db2.gz UODMWBSBMNIDRU-QGZVFWFLSA-N 2 1 322.468 2.687 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000562103380 430108361 /nfs/dbraw/zinc/10/83/61/430108361.db2.gz PFITWCBBPHQDJS-LWYYNNOASA-N 2 1 314.473 2.790 20 0 DFADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634779103 430110666 /nfs/dbraw/zinc/11/06/66/430110666.db2.gz CQCWZPISLYKAOI-KDURUIRLSA-N 2 1 300.446 2.751 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000640017969 430056520 /nfs/dbraw/zinc/05/65/20/430056520.db2.gz OGLVDJXEWXISCA-UHFFFAOYSA-N 2 1 303.450 2.821 20 0 DFADMP C[C@H](C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000529720876 430060816 /nfs/dbraw/zinc/06/08/16/430060816.db2.gz SMLBUEGSDZAOQZ-HPFXQQBRSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000529720876 430060822 /nfs/dbraw/zinc/06/08/22/430060822.db2.gz SMLBUEGSDZAOQZ-HPFXQQBRSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000529720876 430060823 /nfs/dbraw/zinc/06/08/23/430060823.db2.gz SMLBUEGSDZAOQZ-HPFXQQBRSA-N 2 1 321.509 2.771 20 0 DFADMP O[C@@]1(C[NH2+]CCc2ccsc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634699963 430083189 /nfs/dbraw/zinc/08/31/89/430083189.db2.gz RFRSFQSMRAECIZ-GOSISDBHSA-N 2 1 316.470 2.517 20 0 DFADMP O[C@@]1(C[NH2+]CCc2ccsc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699963 430083195 /nfs/dbraw/zinc/08/31/95/430083195.db2.gz RFRSFQSMRAECIZ-GOSISDBHSA-N 2 1 316.470 2.517 20 0 DFADMP Cc1scc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1C ZINC000637868856 430153143 /nfs/dbraw/zinc/15/31/43/430153143.db2.gz FLZKOWWVUWIUFQ-UHFFFAOYSA-N 2 1 307.507 2.578 20 0 DFADMP CC(C)[C@@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637876555 430157323 /nfs/dbraw/zinc/15/73/23/430157323.db2.gz KXHJMYSOSYLHQJ-MRXNPFEDSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000562657784 430160512 /nfs/dbraw/zinc/16/05/12/430160512.db2.gz GZDCSTXFOKTTQP-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000562657784 430160516 /nfs/dbraw/zinc/16/05/16/430160516.db2.gz GZDCSTXFOKTTQP-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000562657784 430160518 /nfs/dbraw/zinc/16/05/18/430160518.db2.gz GZDCSTXFOKTTQP-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@]2(C)C2CCCCC2)CC1 ZINC000640221197 430119227 /nfs/dbraw/zinc/11/92/27/430119227.db2.gz UHYWPZLSKNDDNI-LJQANCHMSA-N 2 1 321.509 2.632 20 0 DFADMP CC[C@H](C)N(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637938074 430178275 /nfs/dbraw/zinc/17/82/75/430178275.db2.gz XSPSJFBGMPFWND-INIZCTEOSA-N 2 1 317.477 2.627 20 0 DFADMP C[N@@H+](CCO)C[C@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC000637832341 430142459 /nfs/dbraw/zinc/14/24/59/430142459.db2.gz HBAYGAPWFXXBLU-LJQANCHMSA-N 2 1 304.478 2.849 20 0 DFADMP C[N@@H+](C[C@H]1CCCC[C@H]1O)C1CCN(CCC(F)(F)F)CC1 ZINC000562554016 430146534 /nfs/dbraw/zinc/14/65/34/430146534.db2.gz OBYGHSWUWZLZAZ-UKRRQHHQSA-N 2 1 322.415 2.886 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269835996 277051411 /nfs/dbraw/zinc/05/14/11/277051411.db2.gz ASDPMUZBFMAERY-KRWDZBQOSA-N 2 1 323.431 2.569 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)n2)cc1 ZINC000634994973 430186676 /nfs/dbraw/zinc/18/66/76/430186676.db2.gz RJDUSZLLDYBIAW-CALCHBBNSA-N 2 1 322.456 2.762 20 0 DFADMP C[C@@]1(C[NH2+]Cc2cccc(-c3ccc(N)cc3)n2)CCC[NH2+]C1 ZINC000634995494 430187018 /nfs/dbraw/zinc/18/70/18/430187018.db2.gz GWCHXUJAVWARGP-LJQANCHMSA-N 2 1 310.445 2.810 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000634996281 430187248 /nfs/dbraw/zinc/18/72/48/430187248.db2.gz FONCQSQBZPZKMH-GOEBONIOSA-N 2 1 310.445 2.748 20 0 DFADMP Fc1ccc2oc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)nc2c1 ZINC000634977245 430181010 /nfs/dbraw/zinc/18/10/10/430181010.db2.gz USRRAGOXFFMRMG-LLVKDONJSA-N 2 1 300.337 2.516 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000368079525 277083660 /nfs/dbraw/zinc/08/36/60/277083660.db2.gz RMZSYAMEKZGAQT-VHSSKADRSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000368079524 277083711 /nfs/dbraw/zinc/08/37/11/277083711.db2.gz RMZSYAMEKZGAQT-MORSLUCNSA-N 2 1 301.434 2.922 20 0 DFADMP CCCCOc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000635000792 430191224 /nfs/dbraw/zinc/19/12/24/430191224.db2.gz VRSOXILZGZXRCV-ZBFHGGJFSA-N 2 1 306.450 2.901 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000367601822 277172045 /nfs/dbraw/zinc/17/20/45/277172045.db2.gz PRPQCXNFNJCABU-QZWWFDLISA-N 2 1 308.853 2.836 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCn2ccc(C(F)(F)F)n2)c2ccccc21 ZINC000635013456 430199030 /nfs/dbraw/zinc/19/90/30/430199030.db2.gz FGQDNRPIORHZCY-CHWSQXEVSA-N 2 1 310.323 2.636 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CCCC1 ZINC000372679121 277263219 /nfs/dbraw/zinc/26/32/19/277263219.db2.gz DBXSKAIWOQCENV-LULLPPNCSA-N 2 1 324.509 2.671 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C1CCCC1 ZINC000372679121 277263221 /nfs/dbraw/zinc/26/32/21/277263221.db2.gz DBXSKAIWOQCENV-LULLPPNCSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638046254 430218864 /nfs/dbraw/zinc/21/88/64/430218864.db2.gz CGJNUDLKDUXTLO-OAHLLOKOSA-N 2 1 313.445 2.512 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638046254 430218867 /nfs/dbraw/zinc/21/88/67/430218867.db2.gz CGJNUDLKDUXTLO-OAHLLOKOSA-N 2 1 313.445 2.512 20 0 DFADMP CC1CCC([NH+]2CCN(CCCc3c[nH+]cn3C)CC2)CC1 ZINC000565606333 430220836 /nfs/dbraw/zinc/22/08/36/430220836.db2.gz BEPMQOZLCUMFNH-UHFFFAOYSA-N 2 1 304.482 2.549 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000638063342 430222910 /nfs/dbraw/zinc/22/29/10/430222910.db2.gz LUAPXMHNSYVCSX-HOTGVXAUSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2)C1 ZINC000638063611 430223999 /nfs/dbraw/zinc/22/39/99/430223999.db2.gz NMSFKYWVWHSENP-WMLDXEAASA-N 2 1 313.445 2.905 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000638063372 430224449 /nfs/dbraw/zinc/22/44/49/430224449.db2.gz MFEUPTFGUXLJOJ-JKSUJKDBSA-N 2 1 317.477 2.533 20 0 DFADMP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000638064381 430224672 /nfs/dbraw/zinc/22/46/72/430224672.db2.gz SUKINPZQDORATK-LSDHHAIUSA-N 2 1 303.450 2.855 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000125320504 277398952 /nfs/dbraw/zinc/39/89/52/277398952.db2.gz RCZXYQHPGJHMHH-SFHVURJKSA-N 2 1 317.477 2.598 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)cc1 ZINC000640622914 430217895 /nfs/dbraw/zinc/21/78/95/430217895.db2.gz DUJFLUICHNMHIB-KRWDZBQOSA-N 2 1 317.477 2.551 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2ccccc2OCCCCO)CC[N@H+]1C ZINC000638118320 430241531 /nfs/dbraw/zinc/24/15/31/430241531.db2.gz XLCYVQULJSKMAW-AEFFLSMTSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCCCCO)CCN1C ZINC000638118320 430241536 /nfs/dbraw/zinc/24/15/36/430241536.db2.gz XLCYVQULJSKMAW-AEFFLSMTSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCCCCO)CCN1C ZINC000638118320 430241540 /nfs/dbraw/zinc/24/15/40/430241540.db2.gz XLCYVQULJSKMAW-AEFFLSMTSA-N 2 1 320.477 2.752 20 0 DFADMP Cc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)c(=O)[nH]1 ZINC000543414624 430246904 /nfs/dbraw/zinc/24/69/04/430246904.db2.gz IRGOSHKMQGOKQI-DYVFJYSZSA-N 2 1 318.465 2.623 20 0 DFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3nccnc3c2)C1 ZINC000638135706 430249453 /nfs/dbraw/zinc/24/94/53/430249453.db2.gz WCSDTRLVMWPPQX-KRWDZBQOSA-N 2 1 310.445 2.794 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc3nccnc3c2)C1 ZINC000638135706 430249456 /nfs/dbraw/zinc/24/94/56/430249456.db2.gz WCSDTRLVMWPPQX-KRWDZBQOSA-N 2 1 310.445 2.794 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000638135706 430249460 /nfs/dbraw/zinc/24/94/60/430249460.db2.gz WCSDTRLVMWPPQX-KRWDZBQOSA-N 2 1 310.445 2.794 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000638135706 430249465 /nfs/dbraw/zinc/24/94/65/430249465.db2.gz WCSDTRLVMWPPQX-KRWDZBQOSA-N 2 1 310.445 2.794 20 0 DFADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000566230255 430250283 /nfs/dbraw/zinc/25/02/83/430250283.db2.gz VTANGSAQAMFFHJ-OALUTQOASA-N 2 1 322.456 2.965 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635323717 430255256 /nfs/dbraw/zinc/25/52/56/430255256.db2.gz AVQBCCSJEIJFOC-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635323717 430255257 /nfs/dbraw/zinc/25/52/57/430255257.db2.gz AVQBCCSJEIJFOC-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635323717 430255258 /nfs/dbraw/zinc/25/52/58/430255258.db2.gz AVQBCCSJEIJFOC-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635399103 430268724 /nfs/dbraw/zinc/26/87/24/430268724.db2.gz GWQALFUIMWUKQQ-OAHLLOKOSA-N 2 1 308.470 2.633 20 0 DFADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c2ccccc21 ZINC000582117818 430269494 /nfs/dbraw/zinc/26/94/94/430269494.db2.gz JJAKFEOKYFBMMH-VPWXQRGCSA-N 2 1 316.489 2.958 20 0 DFADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc21 ZINC000582117818 430269495 /nfs/dbraw/zinc/26/94/95/430269495.db2.gz JJAKFEOKYFBMMH-VPWXQRGCSA-N 2 1 316.489 2.958 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000582168816 430275043 /nfs/dbraw/zinc/27/50/43/430275043.db2.gz UMRIIOXQHOXXLE-IYXRBSQSSA-N 2 1 308.388 2.544 20 0 DFADMP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000544370730 430279295 /nfs/dbraw/zinc/27/92/95/430279295.db2.gz IZNYNFIYJNYJFW-CXAGYDPISA-N 2 1 318.465 2.623 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000635443011 430280133 /nfs/dbraw/zinc/28/01/33/430280133.db2.gz DBYWXRKYRNMRCD-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000635443011 430280136 /nfs/dbraw/zinc/28/01/36/430280136.db2.gz DBYWXRKYRNMRCD-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnn2CC2CCC2)C[C@@H]1C ZINC000638109501 430238131 /nfs/dbraw/zinc/23/81/31/430238131.db2.gz FUWPYWJQXVTZFH-DOTOQJQBSA-N 2 1 304.482 2.988 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000566092530 430240348 /nfs/dbraw/zinc/24/03/48/430240348.db2.gz JRPLPCPDLCMNFJ-SJCJKPOMSA-N 2 1 301.434 2.739 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000566092529 430240807 /nfs/dbraw/zinc/24/08/07/430240807.db2.gz JRPLPCPDLCMNFJ-PXAZEXFGSA-N 2 1 301.434 2.739 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H](C)O1 ZINC000582945148 430349203 /nfs/dbraw/zinc/34/92/03/430349203.db2.gz QBTGUJBGTCQORQ-FVQHAEBGSA-N 2 1 310.482 2.567 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000567748555 430287988 /nfs/dbraw/zinc/28/79/88/430287988.db2.gz XZMONDAWIPCEQF-VXGBXAGGSA-N 2 1 318.339 2.776 20 0 DFADMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582360686 430291867 /nfs/dbraw/zinc/29/18/67/430291867.db2.gz ZNACQSTTYVAVRI-KRWDZBQOSA-N 2 1 314.458 2.781 20 0 DFADMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582360686 430291871 /nfs/dbraw/zinc/29/18/71/430291871.db2.gz ZNACQSTTYVAVRI-KRWDZBQOSA-N 2 1 314.458 2.781 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC1(F)F ZINC000638305424 430299118 /nfs/dbraw/zinc/29/91/18/430299118.db2.gz XJFJXVJDYKOMOQ-BBRMVZONSA-N 2 1 310.388 2.652 20 0 DFADMP c1[nH]c2ncncc2c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000638302767 430299704 /nfs/dbraw/zinc/29/97/04/430299704.db2.gz XKWGMSHENMEOPO-UHFFFAOYSA-N 2 1 321.428 2.664 20 0 DFADMP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000582481428 430303241 /nfs/dbraw/zinc/30/32/41/430303241.db2.gz CBLHBFXOKXZKIN-HKUYNNGSSA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000582481428 430303248 /nfs/dbraw/zinc/30/32/48/430303248.db2.gz CBLHBFXOKXZKIN-HKUYNNGSSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000582481428 430303254 /nfs/dbraw/zinc/30/32/54/430303254.db2.gz CBLHBFXOKXZKIN-HKUYNNGSSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000641170022 430350565 /nfs/dbraw/zinc/35/05/65/430350565.db2.gz SWXNRAVFQBLEKU-SFHVURJKSA-N 2 1 319.497 2.963 20 0 DFADMP C[C@@H]1CCC[C@H]1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000545300634 430313911 /nfs/dbraw/zinc/31/39/11/430313911.db2.gz FASSAMLHJDWIKI-CABCVRRESA-N 2 1 316.449 2.598 20 0 DFADMP COCC[N@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638359162 430316003 /nfs/dbraw/zinc/31/60/03/430316003.db2.gz HLYZDZYVWORCFX-UHFFFAOYSA-N 2 1 320.264 2.634 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc(Cl)cc(Cl)c1N ZINC000638359162 430316007 /nfs/dbraw/zinc/31/60/07/430316007.db2.gz HLYZDZYVWORCFX-UHFFFAOYSA-N 2 1 320.264 2.634 20 0 DFADMP Cc1ccccc1[C@@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000568095472 430316310 /nfs/dbraw/zinc/31/63/10/430316310.db2.gz DCCQAOWOOIUUJS-MRXNPFEDSA-N 2 1 302.462 2.883 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638360905 430317376 /nfs/dbraw/zinc/31/73/76/430317376.db2.gz JPVLXTANRLGEEC-SUMDDJOVSA-N 2 1 300.446 2.981 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638360905 430317380 /nfs/dbraw/zinc/31/73/80/430317380.db2.gz JPVLXTANRLGEEC-SUMDDJOVSA-N 2 1 300.446 2.981 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638360901 430317438 /nfs/dbraw/zinc/31/74/38/430317438.db2.gz JPVLXTANRLGEEC-AYBZRNKSSA-N 2 1 300.446 2.981 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638360901 430317443 /nfs/dbraw/zinc/31/74/43/430317443.db2.gz JPVLXTANRLGEEC-AYBZRNKSSA-N 2 1 300.446 2.981 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638365456 430318357 /nfs/dbraw/zinc/31/83/57/430318357.db2.gz DGBPGHOIYXVYJH-FCGDIQPGSA-N 2 1 324.509 2.957 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000641170021 430350793 /nfs/dbraw/zinc/35/07/93/430350793.db2.gz SWXNRAVFQBLEKU-GOSISDBHSA-N 2 1 319.497 2.963 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000638365939 430318769 /nfs/dbraw/zinc/31/87/69/430318769.db2.gz LRJCPSKCSDONIX-SFHVURJKSA-N 2 1 323.440 2.914 20 0 DFADMP CCN(CC)C(=O)C1([NH2+]CCCc2c[nH+]cn2C)CCCCC1 ZINC000568163984 430321670 /nfs/dbraw/zinc/32/16/70/430321670.db2.gz GKUVTKBCGPIMFN-UHFFFAOYSA-N 2 1 320.481 2.514 20 0 DFADMP CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@@H](O)C[N@H+](C)CC)o1 ZINC000568164077 430321862 /nfs/dbraw/zinc/32/18/62/430321862.db2.gz IMQYYUAJBUCKFR-VYDXJSESSA-N 2 1 308.466 2.928 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1C[C@H](C)O ZINC000568177759 430323931 /nfs/dbraw/zinc/32/39/31/430323931.db2.gz NZNHRAISFGFYEQ-KSSFIOAISA-N 2 1 314.433 2.701 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638399052 430330194 /nfs/dbraw/zinc/33/01/94/430330194.db2.gz BMZVWBUMDOZMDO-UHFFFAOYSA-N 2 1 320.477 2.799 20 0 DFADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCC2 ZINC000638410803 430333040 /nfs/dbraw/zinc/33/30/40/430333040.db2.gz COAQWMUESLEYCW-SJORKVTESA-N 2 1 324.509 2.549 20 0 DFADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000638411166 430333161 /nfs/dbraw/zinc/33/31/61/430333161.db2.gz LLGFROGSQQJDLZ-CVYDXHPNSA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCC2 ZINC000638410800 430334372 /nfs/dbraw/zinc/33/43/72/430334372.db2.gz COAQWMUESLEYCW-DLBZAZTESA-N 2 1 324.509 2.549 20 0 DFADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000638447231 430344594 /nfs/dbraw/zinc/34/45/94/430344594.db2.gz HXWRDRVCDQQWHM-RHSMWYFYSA-N 2 1 308.491 2.975 20 0 DFADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000638447231 430344598 /nfs/dbraw/zinc/34/45/98/430344598.db2.gz HXWRDRVCDQQWHM-RHSMWYFYSA-N 2 1 308.491 2.975 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)c2ccccc21 ZINC000582899382 430345214 /nfs/dbraw/zinc/34/52/14/430345214.db2.gz ZVNZLNPOIOSONT-SJORKVTESA-N 2 1 301.434 2.514 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000568988883 430412865 /nfs/dbraw/zinc/41/28/65/430412865.db2.gz YNNPHJJIGXFDQJ-ABRWGSHYSA-N 2 1 314.477 2.541 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C3(C[NH+](C)C)CC3)c2C1 ZINC000635717459 430357295 /nfs/dbraw/zinc/35/72/95/430357295.db2.gz OZUDMRYSPBJIPX-UHFFFAOYSA-N 2 1 315.461 2.939 20 0 DFADMP CC[C@H](C)[C@@H](C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)OC ZINC000638534635 430369705 /nfs/dbraw/zinc/36/97/05/430369705.db2.gz YCXJNILVACTYER-IAOVAPTHSA-N 2 1 320.481 2.713 20 0 DFADMP CCC[C@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccn1 ZINC000638536146 430370251 /nfs/dbraw/zinc/37/02/51/430370251.db2.gz XMIIEEFIRMQBGU-KRWDZBQOSA-N 2 1 305.466 2.748 20 0 DFADMP CC[C@H](C)[C@H](C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)OC ZINC000638534638 430370516 /nfs/dbraw/zinc/37/05/16/430370516.db2.gz YCXJNILVACTYER-JQFCIGGWSA-N 2 1 320.481 2.713 20 0 DFADMP C[N@H+](CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1)C1CCCC1 ZINC000638545204 430373969 /nfs/dbraw/zinc/37/39/69/430373969.db2.gz PRHSUNPTKWEJQV-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP C[N@@H+](CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1)C1CCCC1 ZINC000638545204 430373974 /nfs/dbraw/zinc/37/39/74/430373974.db2.gz PRHSUNPTKWEJQV-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638564277 430376082 /nfs/dbraw/zinc/37/60/82/430376082.db2.gz XQFNNUPIYKZREV-QAPCUYQASA-N 2 1 317.477 2.675 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000568619768 430376839 /nfs/dbraw/zinc/37/68/39/430376839.db2.gz IGPHMVMHLQRCHZ-CRAIPNDOSA-N 2 1 301.434 2.726 20 0 DFADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)Cc1ccccc1 ZINC000638566887 430378466 /nfs/dbraw/zinc/37/84/66/430378466.db2.gz QNBPYVYDEKYWEH-RTBURBONSA-N 2 1 304.478 2.954 20 0 DFADMP CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000568761792 430389244 /nfs/dbraw/zinc/38/92/44/430389244.db2.gz IMKWWMXXXJGOBR-JKSUJKDBSA-N 2 1 312.461 2.878 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]CCC[C@@H]3CCO3)CCCC2)CC1 ZINC000638636664 430396130 /nfs/dbraw/zinc/39/61/30/430396130.db2.gz GKZYUNSVLQAYGE-QGZVFWFLSA-N 2 1 310.482 2.569 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]C[C@](C)(OC)C3CC3)CCCC2)CC1 ZINC000638637928 430396508 /nfs/dbraw/zinc/39/65/08/430396508.db2.gz YORIZLRPJDNMHT-SFHVURJKSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC1(F)F ZINC000638686305 430407246 /nfs/dbraw/zinc/40/72/46/430407246.db2.gz ISJVOPAQQQGRNK-QSPRXWTASA-N 2 1 324.415 2.503 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC1(F)F ZINC000638686305 430407249 /nfs/dbraw/zinc/40/72/49/430407249.db2.gz ISJVOPAQQQGRNK-QSPRXWTASA-N 2 1 324.415 2.503 20 0 DFADMP CC(C)(CO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638790431 430434666 /nfs/dbraw/zinc/43/46/66/430434666.db2.gz LMCZURSRVXKWOY-FUHWJXTLSA-N 2 1 302.462 2.963 20 0 DFADMP CC(C)(CO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638790431 430434669 /nfs/dbraw/zinc/43/46/69/430434669.db2.gz LMCZURSRVXKWOY-FUHWJXTLSA-N 2 1 302.462 2.963 20 0 DFADMP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641808468 430480753 /nfs/dbraw/zinc/48/07/53/430480753.db2.gz YNFPIKZZMCJXGM-MAZHCROVSA-N 2 1 303.450 2.854 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060658 430443831 /nfs/dbraw/zinc/44/38/31/430443831.db2.gz NVHVLDQFOJLYEP-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060658 430443834 /nfs/dbraw/zinc/44/38/34/430443834.db2.gz NVHVLDQFOJLYEP-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060658 430443838 /nfs/dbraw/zinc/44/38/38/430443838.db2.gz NVHVLDQFOJLYEP-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](C)[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548064016 430443920 /nfs/dbraw/zinc/44/39/20/430443920.db2.gz BRBDFGUDWKBBAF-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000583999529 430449989 /nfs/dbraw/zinc/44/99/89/430449989.db2.gz NKIMGGJKNCZWJO-UHFFFAOYSA-N 2 1 309.457 2.901 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000584047280 430453379 /nfs/dbraw/zinc/45/33/79/430453379.db2.gz FKEZEKGTJNUVLK-ZWKOTPCHSA-N 2 1 300.402 2.966 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048123 430453602 /nfs/dbraw/zinc/45/36/02/430453602.db2.gz DLHTXCJNUFFTTL-SJLPKXTDSA-N 2 1 324.896 2.953 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1cc(-n2ccnc2)cs1)C1CCCCC1 ZINC000569452044 430455060 /nfs/dbraw/zinc/45/50/60/430455060.db2.gz KJUZUCJTAQEWEX-INIZCTEOSA-N 2 1 304.463 2.931 20 0 DFADMP CC(C)(C[NH3+])C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850750 430455606 /nfs/dbraw/zinc/45/56/06/430455606.db2.gz GVBCYRYNPHZSEW-KRWDZBQOSA-N 2 1 317.477 2.532 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccccc2)C2CCC2)CC1 ZINC000641786710 430472688 /nfs/dbraw/zinc/47/26/88/430472688.db2.gz DRSZVLULIHLTIJ-IBGZPJMESA-N 2 1 302.462 2.964 20 0 DFADMP Cc1cnccc1CC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000584348323 430475337 /nfs/dbraw/zinc/47/53/37/430475337.db2.gz MALUJLPHSMTBFC-IAGOWNOFSA-N 2 1 306.475 2.919 20 0 DFADMP Cc1cnccc1CC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000584348325 430475407 /nfs/dbraw/zinc/47/54/07/430475407.db2.gz MALUJLPHSMTBFC-SJORKVTESA-N 2 1 306.475 2.919 20 0 DFADMP CC(C)C[C@H](NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803205 430476507 /nfs/dbraw/zinc/47/65/07/430476507.db2.gz BKJSCRWUINHLSD-BBWFWOEESA-N 2 1 317.477 2.605 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803399 430477070 /nfs/dbraw/zinc/47/70/70/430477070.db2.gz FKJFINSTVFEOCD-MAZHCROVSA-N 2 1 303.450 2.852 20 0 DFADMP CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641806027 430478148 /nfs/dbraw/zinc/47/81/48/430478148.db2.gz QBISGDZRUJLVEE-GJZGRUSLSA-N 2 1 303.450 2.638 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803813 430479199 /nfs/dbraw/zinc/47/91/99/430479199.db2.gz HXURPESTERHBLG-MAZHCROVSA-N 2 1 317.477 2.854 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000191648652 277713564 /nfs/dbraw/zinc/71/35/64/277713564.db2.gz AMPUIAFLVSKGJW-LSDHHAIUSA-N 2 1 308.441 2.846 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641807838 430480246 /nfs/dbraw/zinc/48/02/46/430480246.db2.gz SFESMDDMEJAPAR-FPMFFAJLSA-N 2 1 323.868 2.999 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635976375 430426724 /nfs/dbraw/zinc/42/67/24/430426724.db2.gz YUBRQJHUMAYYTC-INIZCTEOSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)n1cc([C@H](C)[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cn1 ZINC000583807125 430431068 /nfs/dbraw/zinc/43/10/68/430431068.db2.gz URGPMMSFOWKGJT-ZDUSSCGKSA-N 2 1 317.437 2.770 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000641823618 430482606 /nfs/dbraw/zinc/48/26/06/430482606.db2.gz STXDVZSMBVDLAG-JYJNAYRXSA-N 2 1 321.465 2.654 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)C1 ZINC000641821672 430482891 /nfs/dbraw/zinc/48/28/91/430482891.db2.gz NZYHVLPQUJQARE-TVFCKZIOSA-N 2 1 322.493 2.697 20 0 DFADMP C[C@H]([NH2+]C1CC(n2cccn2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638973180 430484711 /nfs/dbraw/zinc/48/47/11/430484711.db2.gz YFIDRLXOTSZYTK-LCMLCXGQSA-N 2 1 302.466 2.829 20 0 DFADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636203752 430486821 /nfs/dbraw/zinc/48/68/21/430486821.db2.gz YOVUEHAGFMKJQL-YJBOKZPZSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636203752 430486827 /nfs/dbraw/zinc/48/68/27/430486827.db2.gz YOVUEHAGFMKJQL-YJBOKZPZSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636203752 430486828 /nfs/dbraw/zinc/48/68/28/430486828.db2.gz YOVUEHAGFMKJQL-YJBOKZPZSA-N 2 1 319.493 2.527 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[NH+](C(C)(C)C)CC1)C1CCCCC1 ZINC000548715170 430493942 /nfs/dbraw/zinc/49/39/42/430493942.db2.gz YPLYDIKXUCURJQ-UHFFFAOYSA-N 2 1 323.525 2.974 20 0 DFADMP C[NH+](CCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC000548715170 430493946 /nfs/dbraw/zinc/49/39/46/430493946.db2.gz YPLYDIKXUCURJQ-UHFFFAOYSA-N 2 1 323.525 2.974 20 0 DFADMP C[NH+](CCC(=O)N1CCC[N@H+](C(C)(C)C)CC1)C1CCCCC1 ZINC000548715170 430493950 /nfs/dbraw/zinc/49/39/50/430493950.db2.gz YPLYDIKXUCURJQ-UHFFFAOYSA-N 2 1 323.525 2.974 20 0 DFADMP Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000569921038 430498337 /nfs/dbraw/zinc/49/83/37/430498337.db2.gz NQSAICKSODXCDM-KRWDZBQOSA-N 2 1 304.478 2.626 20 0 DFADMP Cc1ccc(C(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000569921038 430498338 /nfs/dbraw/zinc/49/83/38/430498338.db2.gz NQSAICKSODXCDM-KRWDZBQOSA-N 2 1 304.478 2.626 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1)C(C)C ZINC000639040439 430498666 /nfs/dbraw/zinc/49/86/66/430498666.db2.gz FMJHFJMNSLVOHK-IYARVYRRSA-N 2 1 317.477 2.917 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000569950366 430501383 /nfs/dbraw/zinc/50/13/83/430501383.db2.gz MPOCDVQBEBUDRL-CQSZACIVSA-N 2 1 314.433 2.547 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](C)C3)s2)cn1 ZINC000548872277 430507050 /nfs/dbraw/zinc/50/70/50/430507050.db2.gz OTJRTKYSNMDDGO-ZDUSSCGKSA-N 2 1 304.463 2.580 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1CCCC12CC[NH+](C)CC2 ZINC000639081787 430516378 /nfs/dbraw/zinc/51/63/78/430516378.db2.gz LSAQVRIIXKIRPM-UHFFFAOYSA-N 2 1 310.445 2.998 20 0 DFADMP C[NH+](C)[C@@H]1CCCN([C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000639103199 430524811 /nfs/dbraw/zinc/52/48/11/430524811.db2.gz HXHNGONJJOMBKE-HZPDHXFCSA-N 2 1 305.470 2.842 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639105685 430526610 /nfs/dbraw/zinc/52/66/10/430526610.db2.gz USRLIWXOJPUFON-VYDXJSESSA-N 2 1 324.415 2.960 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639105685 430526613 /nfs/dbraw/zinc/52/66/13/430526613.db2.gz USRLIWXOJPUFON-VYDXJSESSA-N 2 1 324.415 2.960 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000639104744 430526839 /nfs/dbraw/zinc/52/68/39/430526839.db2.gz MIZZACPXHBUAPM-YRPNKDGESA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000639104744 430526841 /nfs/dbraw/zinc/52/68/41/430526841.db2.gz MIZZACPXHBUAPM-YRPNKDGESA-N 2 1 314.473 2.913 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000549755445 430531006 /nfs/dbraw/zinc/53/10/06/430531006.db2.gz MLUZWOVROXADBB-YESZJQIVSA-N 2 1 310.482 2.820 20 0 DFADMP c1[nH]c2ncncc2c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639117311 430532076 /nfs/dbraw/zinc/53/20/76/430532076.db2.gz GFICHSDXPDVFRK-MRXNPFEDSA-N 2 1 321.428 2.521 20 0 DFADMP C[N@@H+](Cc1cccc(Oc2ccc(Cl)cc2)c1)C[C@@H](O)C[NH3+] ZINC000643075227 430549418 /nfs/dbraw/zinc/54/94/18/430549418.db2.gz VHNUIWSZAVSKSI-HNNXBMFYSA-N 2 1 320.820 2.884 20 0 DFADMP C[N@H+](Cc1cccc(Oc2ccc(Cl)cc2)c1)C[C@@H](O)C[NH3+] ZINC000643075227 430549423 /nfs/dbraw/zinc/54/94/23/430549423.db2.gz VHNUIWSZAVSKSI-HNNXBMFYSA-N 2 1 320.820 2.884 20 0 DFADMP Cc1ccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c(F)c1 ZINC000639172576 430554073 /nfs/dbraw/zinc/55/40/73/430554073.db2.gz MXBGKKVXASIMMY-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000639172576 430554077 /nfs/dbraw/zinc/55/40/77/430554077.db2.gz MXBGKKVXASIMMY-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000639172576 430554080 /nfs/dbraw/zinc/55/40/80/430554080.db2.gz MXBGKKVXASIMMY-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP COC(C)(C)C[N@@H+](C)C[C@H]1CN(Cc2ccccc2)CCCO1 ZINC000551386972 430555489 /nfs/dbraw/zinc/55/54/89/430555489.db2.gz IMMVEFKLNXZFLK-SFHVURJKSA-N 2 1 320.477 2.634 20 0 DFADMP COC(C)(C)CN(C)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551386972 430555491 /nfs/dbraw/zinc/55/54/91/430555491.db2.gz IMMVEFKLNXZFLK-SFHVURJKSA-N 2 1 320.477 2.634 20 0 DFADMP COC(C)(C)CN(C)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551386972 430555496 /nfs/dbraw/zinc/55/54/96/430555496.db2.gz IMMVEFKLNXZFLK-SFHVURJKSA-N 2 1 320.477 2.634 20 0 DFADMP COc1ccc(COCC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000643441037 430600993 /nfs/dbraw/zinc/60/09/93/430600993.db2.gz OBLNZWQBNJCDJX-UXLLHSPISA-N 2 1 306.450 2.517 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCn2ccnc2C1 ZINC000639180498 430559440 /nfs/dbraw/zinc/55/94/40/430559440.db2.gz ZFJNNORZRPFSAN-MSOLQXFVSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639180498 430559442 /nfs/dbraw/zinc/55/94/42/430559442.db2.gz ZFJNNORZRPFSAN-MSOLQXFVSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639180498 430559448 /nfs/dbraw/zinc/55/94/48/430559448.db2.gz ZFJNNORZRPFSAN-MSOLQXFVSA-N 2 1 324.472 2.904 20 0 DFADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000639191110 430563819 /nfs/dbraw/zinc/56/38/19/430563819.db2.gz GAHPCZFFXZRGLQ-JTQLQIEISA-N 2 1 311.216 2.946 20 0 DFADMP CC[C@@H](C)[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639209966 430572789 /nfs/dbraw/zinc/57/27/89/430572789.db2.gz BVHXGFYEPPWCAX-WKUFJEKOSA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@@H](C)[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639209966 430572794 /nfs/dbraw/zinc/57/27/94/430572794.db2.gz BVHXGFYEPPWCAX-WKUFJEKOSA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@@H](C)[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639209966 430572796 /nfs/dbraw/zinc/57/27/96/430572796.db2.gz BVHXGFYEPPWCAX-WKUFJEKOSA-N 2 1 312.498 2.621 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CCNC2=O)CC1)CC(C)C ZINC000570825490 430581478 /nfs/dbraw/zinc/58/14/78/430581478.db2.gz YWUCTWVAQWPHEQ-SFHVURJKSA-N 2 1 323.525 2.593 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000552044965 430581720 /nfs/dbraw/zinc/58/17/20/430581720.db2.gz TTWVFGNAPLNTMT-ZBFHGGJFSA-N 2 1 320.477 2.875 20 0 DFADMP Cc1sccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060554 430582909 /nfs/dbraw/zinc/58/29/09/430582909.db2.gz GJDHICWPWIVVEK-QGZVFWFLSA-N 2 1 307.507 2.657 20 0 DFADMP Cc1nc(CNC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]c1C ZINC000570987000 430594230 /nfs/dbraw/zinc/59/42/30/430594230.db2.gz VBLKTYZLZVUYST-SFHVURJKSA-N 2 1 312.461 2.681 20 0 DFADMP COCC1(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)CCC1 ZINC000643370932 430595014 /nfs/dbraw/zinc/59/50/14/430595014.db2.gz VBDBNZGOPPWXCY-INIZCTEOSA-N 2 1 303.450 2.941 20 0 DFADMP COCC1(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)CCC1 ZINC000643370932 430595016 /nfs/dbraw/zinc/59/50/16/430595016.db2.gz VBDBNZGOPPWXCY-INIZCTEOSA-N 2 1 303.450 2.941 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1cccc(Cl)c1)C1CC1 ZINC000571040258 430599005 /nfs/dbraw/zinc/59/90/05/430599005.db2.gz YWWGVIJOXGOFTF-INIZCTEOSA-N 2 1 310.869 2.662 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1cccc(Cl)c1)C1CC1 ZINC000571040258 430599007 /nfs/dbraw/zinc/59/90/07/430599007.db2.gz YWWGVIJOXGOFTF-INIZCTEOSA-N 2 1 310.869 2.662 20 0 DFADMP CC[N@@H+](CCC[NH2+]C[C@@H](OC)[C@H]1CCOC1)C1CCCCC1 ZINC000639289777 430599623 /nfs/dbraw/zinc/59/96/23/430599623.db2.gz COQLSIYFNVLFTB-FUHWJXTLSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000570440274 430543106 /nfs/dbraw/zinc/54/31/06/430543106.db2.gz ASPMXINCMRUWDB-UMGGQSCQSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000570440274 430543108 /nfs/dbraw/zinc/54/31/08/430543108.db2.gz ASPMXINCMRUWDB-UMGGQSCQSA-N 2 1 315.505 2.875 20 0 DFADMP c1cnc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000639474339 430650364 /nfs/dbraw/zinc/65/03/64/430650364.db2.gz RWMKUTCQSOZFKA-QGZVFWFLSA-N 2 1 302.466 2.607 20 0 DFADMP c1cnc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000639474339 430650366 /nfs/dbraw/zinc/65/03/66/430650366.db2.gz RWMKUTCQSOZFKA-QGZVFWFLSA-N 2 1 302.466 2.607 20 0 DFADMP CCC(CC)[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000571798069 430653785 /nfs/dbraw/zinc/65/37/85/430653785.db2.gz UOLFBRXNEVJFKH-GOSISDBHSA-N 2 1 319.493 2.916 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000554882132 430654425 /nfs/dbraw/zinc/65/44/25/430654425.db2.gz GUPWBRUXWUPOHS-AWEZNQCLSA-N 3 1 321.431 2.723 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457671 430603739 /nfs/dbraw/zinc/60/37/39/430603739.db2.gz WHZUABUHSHFPOR-RLLQIKCJSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457671 430603742 /nfs/dbraw/zinc/60/37/42/430603742.db2.gz WHZUABUHSHFPOR-RLLQIKCJSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457671 430603745 /nfs/dbraw/zinc/60/37/45/430603745.db2.gz WHZUABUHSHFPOR-RLLQIKCJSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000643457671 430603749 /nfs/dbraw/zinc/60/37/49/430603749.db2.gz WHZUABUHSHFPOR-RLLQIKCJSA-N 2 1 315.505 2.876 20 0 DFADMP Cc1ccc(CC[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000639308014 430603997 /nfs/dbraw/zinc/60/39/97/430603997.db2.gz JZLPKVJOOPOUQZ-NRFANRHFSA-N 2 1 324.468 2.894 20 0 DFADMP CCc1cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643457181 430604303 /nfs/dbraw/zinc/60/43/03/430604303.db2.gz ASGMYGCHOGCBPW-AEFFLSMTSA-N 2 1 313.401 2.583 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccnc1OC(C)C ZINC000643471848 430606265 /nfs/dbraw/zinc/60/62/65/430606265.db2.gz JUHCPOPFNDEQFH-ZDUSSCGKSA-N 2 1 314.433 2.882 20 0 DFADMP COc1ccc([C@@H]([NH2+]C2CCC(CO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643471294 430606312 /nfs/dbraw/zinc/60/63/12/430606312.db2.gz OWMNDGCPBSCSIL-NHSGJMAASA-N 2 1 318.461 2.629 20 0 DFADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)CCO2 ZINC000643482357 430607305 /nfs/dbraw/zinc/60/73/05/430607305.db2.gz ANSMNXYUVCDHNT-JJRVBVJISA-N 2 1 304.434 2.887 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643489593 430608433 /nfs/dbraw/zinc/60/84/33/430608433.db2.gz UEZKGXNONWRERA-OGWHTMIXSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643489593 430608436 /nfs/dbraw/zinc/60/84/36/430608436.db2.gz UEZKGXNONWRERA-OGWHTMIXSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643536485 430614320 /nfs/dbraw/zinc/61/43/20/430614320.db2.gz UIPQQWQAEFXIDM-UHOSZYNNSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000643536485 430614323 /nfs/dbraw/zinc/61/43/23/430614323.db2.gz UIPQQWQAEFXIDM-UHOSZYNNSA-N 2 1 313.489 2.629 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546837 430616103 /nfs/dbraw/zinc/61/61/03/430616103.db2.gz VSNKRWCIUYFSOL-CXAGYDPISA-N 2 1 301.434 2.970 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000571275573 430617372 /nfs/dbraw/zinc/61/73/72/430617372.db2.gz LNDAGGSMTZBYJJ-NEPJUHHUSA-N 2 1 314.376 2.774 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(O)CCC2)C1 ZINC000571277360 430617460 /nfs/dbraw/zinc/61/74/60/430617460.db2.gz SQJFYWFTENREGA-INIZCTEOSA-N 2 1 302.462 2.923 20 0 DFADMP OC1CC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639351804 430618733 /nfs/dbraw/zinc/61/87/33/430618733.db2.gz AAEAFALFVOCCQL-ZPGGLAACSA-N 2 1 300.446 2.715 20 0 DFADMP OC1CC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639351804 430618735 /nfs/dbraw/zinc/61/87/35/430618735.db2.gz AAEAFALFVOCCQL-ZPGGLAACSA-N 2 1 300.446 2.715 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000639359288 430620017 /nfs/dbraw/zinc/62/00/17/430620017.db2.gz KHVJXVREHPLMRM-NZSAHSFTSA-N 2 1 302.462 2.771 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H](c2ccccn2)C2CCC2)CC1 ZINC000639368048 430620893 /nfs/dbraw/zinc/62/08/93/430620893.db2.gz PLRIVYDPLLJSBE-SFHVURJKSA-N 2 1 317.477 2.748 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639362256 430621385 /nfs/dbraw/zinc/62/13/85/430621385.db2.gz ADBVQFOQWZUJTD-RMRDIRSESA-N 2 1 300.446 2.715 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639362256 430621386 /nfs/dbraw/zinc/62/13/86/430621386.db2.gz ADBVQFOQWZUJTD-RMRDIRSESA-N 2 1 300.446 2.715 20 0 DFADMP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NCc2cc(F)cc(Cl)c2)C1 ZINC000639374392 430625361 /nfs/dbraw/zinc/62/53/61/430625361.db2.gz YTRDGAMIJNRXTG-OWCLPIDISA-N 2 1 312.816 2.556 20 0 DFADMP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NCc2cc(F)cc(Cl)c2)C1 ZINC000639374392 430625365 /nfs/dbraw/zinc/62/53/65/430625365.db2.gz YTRDGAMIJNRXTG-OWCLPIDISA-N 2 1 312.816 2.556 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000554095006 430627927 /nfs/dbraw/zinc/62/79/27/430627927.db2.gz ASSJIYBFUPLCMD-IYWMVGAKSA-N 2 1 316.489 2.751 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000639380457 430628214 /nfs/dbraw/zinc/62/82/14/430628214.db2.gz YXFHUMPKZAFICY-UHFFFAOYSA-N 2 1 313.449 2.574 20 0 DFADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546951 430668792 /nfs/dbraw/zinc/66/87/92/430668792.db2.gz NKLZOXVAABMZAJ-QTMHVTGLSA-N 2 1 324.509 2.623 20 0 DFADMP C[C@@H]1OCC[C@@H]1C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546951 430668793 /nfs/dbraw/zinc/66/87/93/430668793.db2.gz NKLZOXVAABMZAJ-QTMHVTGLSA-N 2 1 324.509 2.623 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCO[C@H]3C)C1)CCCC2 ZINC000639598334 430678541 /nfs/dbraw/zinc/67/85/41/430678541.db2.gz QPNZBPDWNUMVLN-CWRNSKLLSA-N 2 1 303.450 2.742 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCO[C@H]3C)C1)CCCC2 ZINC000639598334 430678544 /nfs/dbraw/zinc/67/85/44/430678544.db2.gz QPNZBPDWNUMVLN-CWRNSKLLSA-N 2 1 303.450 2.742 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCO[C@H]3C)C1)CCCC2 ZINC000639598336 430678970 /nfs/dbraw/zinc/67/89/70/430678970.db2.gz QPNZBPDWNUMVLN-NUEKZKHPSA-N 2 1 303.450 2.742 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CCO[C@H]3C)C1)CCCC2 ZINC000639598336 430678971 /nfs/dbraw/zinc/67/89/71/430678971.db2.gz QPNZBPDWNUMVLN-NUEKZKHPSA-N 2 1 303.450 2.742 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000556161870 430680524 /nfs/dbraw/zinc/68/05/24/430680524.db2.gz XTGCBXJQANNKHO-CCNLRDMRSA-N 2 1 315.461 2.927 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2([NH3+])CCCCC2)C1 ZINC000165126808 278002157 /nfs/dbraw/zinc/00/21/57/278002157.db2.gz PEYQFFBSZBATLK-IYBDPMFKSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccncc1 ZINC000370577430 278274154 /nfs/dbraw/zinc/27/41/54/278274154.db2.gz GMYPIPURNYOKPB-CWLKWCNXSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1ccncc1 ZINC000370577430 278274156 /nfs/dbraw/zinc/27/41/56/278274156.db2.gz GMYPIPURNYOKPB-CWLKWCNXSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354846906 278329361 /nfs/dbraw/zinc/32/93/61/278329361.db2.gz DOTZSINIVZNSEG-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293265598 278335064 /nfs/dbraw/zinc/33/50/64/278335064.db2.gz GHXJPUTWEJOHJT-CQSZACIVSA-N 2 1 315.461 2.666 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)C1CCCCC1 ZINC000556874959 430695425 /nfs/dbraw/zinc/69/54/25/430695425.db2.gz HRNARYJQZMABII-AKHDSKFASA-N 2 1 307.526 2.959 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000644166209 430699877 /nfs/dbraw/zinc/69/98/77/430699877.db2.gz BPVJUQQRDWGBSI-JTQLQIEISA-N 2 1 306.435 2.757 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000648180184 430700430 /nfs/dbraw/zinc/70/04/30/430700430.db2.gz BZTWQIATTKOVDW-ZDUSSCGKSA-N 2 1 300.406 2.802 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000651138127 430716868 /nfs/dbraw/zinc/71/68/68/430716868.db2.gz BNGNQHDLOQSLNC-SLFFLAALSA-N 2 1 314.473 2.600 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000651138127 430716874 /nfs/dbraw/zinc/71/68/74/430716874.db2.gz BNGNQHDLOQSLNC-SLFFLAALSA-N 2 1 314.473 2.600 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000651138127 430716880 /nfs/dbraw/zinc/71/68/80/430716880.db2.gz BNGNQHDLOQSLNC-SLFFLAALSA-N 2 1 314.473 2.600 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@@H](C2CC2)[C@H]1C1CC1 ZINC000651138127 430716885 /nfs/dbraw/zinc/71/68/85/430716885.db2.gz BNGNQHDLOQSLNC-SLFFLAALSA-N 2 1 314.473 2.600 20 0 DFADMP CCc1cccc(F)c1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750550 430724901 /nfs/dbraw/zinc/72/49/01/430724901.db2.gz BAGLJRHCSSRYLV-MRXNPFEDSA-N 2 1 306.425 2.731 20 0 DFADMP c1cc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2cn1 ZINC000657751235 430725182 /nfs/dbraw/zinc/72/51/82/430725182.db2.gz HKHZCBDUNIFXAF-LJQANCHMSA-N 2 1 311.429 2.578 20 0 DFADMP c1cnc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2c1 ZINC000657750221 430725505 /nfs/dbraw/zinc/72/55/05/430725505.db2.gz DQKTVUSBHKZOMR-GOSISDBHSA-N 2 1 311.429 2.578 20 0 DFADMP c1cnc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2c1 ZINC000657750222 430725625 /nfs/dbraw/zinc/72/56/25/430725625.db2.gz DQKTVUSBHKZOMR-SFHVURJKSA-N 2 1 311.429 2.578 20 0 DFADMP COc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000657750156 430726265 /nfs/dbraw/zinc/72/62/65/430726265.db2.gz BWDRXEBWGPYXDU-HNNXBMFYSA-N 2 1 324.852 2.692 20 0 DFADMP C[C@H](C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C[NH+](C)C ZINC000644412639 430727153 /nfs/dbraw/zinc/72/71/53/430727153.db2.gz QEWCPLVYIXLNBY-CQSZACIVSA-N 2 1 320.868 2.872 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657999344 430782877 /nfs/dbraw/zinc/78/28/77/430782877.db2.gz UKFZVAHHQZKJRU-QZTJIDSGSA-N 2 1 300.446 2.810 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCCC23CC3)c2cccs2)CC1 ZINC000657815096 430743083 /nfs/dbraw/zinc/74/30/83/430743083.db2.gz DELBUGSJKOTJSH-NVXWUHKLSA-N 2 1 319.518 2.959 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CC(CF)(CF)C2)C[C@H](C)O1 ZINC000657919531 430767607 /nfs/dbraw/zinc/76/76/07/430767607.db2.gz NAJZIYUVDHITQN-OKILXGFUSA-N 2 1 304.425 2.553 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C3CC(CF)(CF)C3)C2)nc(C)[nH+]1 ZINC000657942764 430773039 /nfs/dbraw/zinc/77/30/39/430773039.db2.gz CXVDYHMOMPYUIB-AWEZNQCLSA-N 2 1 324.419 2.740 20 0 DFADMP COC1([C@@H](C)[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCC1 ZINC000657944071 430773246 /nfs/dbraw/zinc/77/32/46/430773246.db2.gz YELCFBHISHUDQD-GDBMZVCRSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCn2nccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969792 430776942 /nfs/dbraw/zinc/77/69/42/430776942.db2.gz UTFJUHGTCMSJCL-YQQAZPJKSA-N 2 1 302.466 2.961 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCn2nccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969792 430776944 /nfs/dbraw/zinc/77/69/44/430776944.db2.gz UTFJUHGTCMSJCL-YQQAZPJKSA-N 2 1 302.466 2.961 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC(C)(C)CC(C)(C)C2)CC1 ZINC000661626735 430778352 /nfs/dbraw/zinc/77/83/52/430778352.db2.gz LLVXAQCRLQBDHB-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000648412666 430779828 /nfs/dbraw/zinc/77/98/28/430779828.db2.gz IDHRFMIFRFLZKM-OALUTQOASA-N 2 1 302.462 2.982 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000648412666 430779830 /nfs/dbraw/zinc/77/98/30/430779830.db2.gz IDHRFMIFRFLZKM-OALUTQOASA-N 2 1 302.462 2.982 20 0 DFADMP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135957 430819999 /nfs/dbraw/zinc/81/99/99/430819999.db2.gz FXTBNZGOGBGGMH-DNVCBOLYSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)C1CC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658141951 430822582 /nfs/dbraw/zinc/82/25/82/430822582.db2.gz YCPNTGKDFBGPJC-CTWPCTMYSA-N 2 1 302.462 2.777 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cncs1 ZINC000658136893 430822667 /nfs/dbraw/zinc/82/26/67/430822667.db2.gz FTWPADIPQRHURR-BBRMVZONSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cncs1 ZINC000658136896 430823056 /nfs/dbraw/zinc/82/30/56/430823056.db2.gz FTWPADIPQRHURR-CJNGLKHVSA-N 2 1 317.458 2.561 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C1 ZINC000658140287 430823902 /nfs/dbraw/zinc/82/39/02/430823902.db2.gz PLUSYSPCRQBKEQ-GOSISDBHSA-N 2 1 300.446 2.531 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cncs1 ZINC000658136902 430824108 /nfs/dbraw/zinc/82/41/08/430824108.db2.gz FTWPADIPQRHURR-XJKSGUPXSA-N 2 1 317.458 2.561 20 0 DFADMP COc1cc(F)cc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000648586845 430832290 /nfs/dbraw/zinc/83/22/90/430832290.db2.gz PETCQSGJVBUHAO-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1cc(F)cc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000648586845 430832295 /nfs/dbraw/zinc/83/22/95/430832295.db2.gz PETCQSGJVBUHAO-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP CCCc1nc(C)c(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)o1 ZINC000644688105 430791491 /nfs/dbraw/zinc/79/14/91/430791491.db2.gz FUDGLRHTJLWPKP-CQSZACIVSA-N 2 1 302.422 2.826 20 0 DFADMP CCCc1nc(C)c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000644688105 430791496 /nfs/dbraw/zinc/79/14/96/430791496.db2.gz FUDGLRHTJLWPKP-CQSZACIVSA-N 2 1 302.422 2.826 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2[nH]c(=O)oc2c1 ZINC000651454300 430799363 /nfs/dbraw/zinc/79/93/63/430799363.db2.gz AQBJAURWDDWKAL-HLVVYCRESA-N 2 1 301.390 2.809 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658088561 430806948 /nfs/dbraw/zinc/80/69/48/430806948.db2.gz UXWLWLOPJKEQMG-IPELMVKDSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000648497746 430807589 /nfs/dbraw/zinc/80/75/89/430807589.db2.gz DKLYLMVLTAAPQX-IRXDYDNUSA-N 2 1 310.482 2.569 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000658246679 430850434 /nfs/dbraw/zinc/85/04/34/430850434.db2.gz FVIDEUHKXOLOOC-LSTHTHJFSA-N 2 1 316.489 2.895 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000658257523 430855772 /nfs/dbraw/zinc/85/57/72/430855772.db2.gz YTEHIZQNKZCLKT-XGXHKWSGSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000658257523 430855776 /nfs/dbraw/zinc/85/57/76/430855776.db2.gz YTEHIZQNKZCLKT-XGXHKWSGSA-N 2 1 314.473 2.790 20 0 DFADMP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000651730441 430860463 /nfs/dbraw/zinc/86/04/63/430860463.db2.gz LLIHVMNKMOKWQM-KRWDZBQOSA-N 2 1 314.514 2.917 20 0 DFADMP CC(=O)NCc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000665234979 430862954 /nfs/dbraw/zinc/86/29/54/430862954.db2.gz NOHISSZFWZXXCH-OALUTQOASA-N 2 1 309.413 2.557 20 0 DFADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000665234792 430863718 /nfs/dbraw/zinc/86/37/18/430863718.db2.gz KDWDHWDMLPVQIU-JHJVBQTASA-N 2 1 314.355 2.506 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000665236597 430864759 /nfs/dbraw/zinc/86/47/59/430864759.db2.gz QJONQZHZQNLTNK-SQNIBIBYSA-N 2 1 301.478 2.942 20 0 DFADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc(OC)c1OC ZINC000665249448 430867515 /nfs/dbraw/zinc/86/75/15/430867515.db2.gz QNPCYKWEDZWBIG-LBPRGKRZSA-N 2 1 308.422 2.635 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCCC[NH3+])cc1 ZINC000665255028 430870478 /nfs/dbraw/zinc/87/04/78/430870478.db2.gz GVZROQHOKREGJT-SNRMKQJTSA-N 3 1 319.493 2.638 20 0 DFADMP [NH3+]CC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000665253201 430871099 /nfs/dbraw/zinc/87/10/99/430871099.db2.gz JZIHXGCUYGAMSG-LJIJDPQTSA-N 3 1 323.431 2.517 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)[C@@H]2CCOC2)cc1 ZINC000665255451 430872115 /nfs/dbraw/zinc/87/21/15/430872115.db2.gz SSFVATKORAIILH-FXECBMLZSA-N 2 1 318.461 2.545 20 0 DFADMP Cc1cc(Br)c(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000665266442 430876322 /nfs/dbraw/zinc/87/63/22/430876322.db2.gz BBROIGUUOIOGHH-ZJUUUORDSA-N 2 1 303.269 2.907 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267239 430876628 /nfs/dbraw/zinc/87/66/28/430876628.db2.gz SJLJMBSYQCZCQI-RDJZCZTQSA-N 2 1 316.493 2.906 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000665267239 430876631 /nfs/dbraw/zinc/87/66/31/430876631.db2.gz SJLJMBSYQCZCQI-RDJZCZTQSA-N 2 1 316.493 2.906 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658337947 430879550 /nfs/dbraw/zinc/87/95/50/430879550.db2.gz BLTOVRHKLUTGGU-WSIUPNEHSA-N 2 1 302.462 2.613 20 0 DFADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000665281202 430880418 /nfs/dbraw/zinc/88/04/18/430880418.db2.gz XARMDJHDBABZIF-QXAKKESOSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000665281202 430880424 /nfs/dbraw/zinc/88/04/24/430880424.db2.gz XARMDJHDBABZIF-QXAKKESOSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000665281202 430880431 /nfs/dbraw/zinc/88/04/31/430880431.db2.gz XARMDJHDBABZIF-QXAKKESOSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000665281202 430880435 /nfs/dbraw/zinc/88/04/35/430880435.db2.gz XARMDJHDBABZIF-QXAKKESOSA-N 2 1 303.494 2.860 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658349918 430883569 /nfs/dbraw/zinc/88/35/69/430883569.db2.gz VPLRAMHVBLLZNM-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC3CCOCC3)C2)c1 ZINC000644992998 430886490 /nfs/dbraw/zinc/88/64/90/430886490.db2.gz BSGYIDHYTHOTEN-KRWDZBQOSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC3CCOCC3)C2)c1 ZINC000644992998 430886496 /nfs/dbraw/zinc/88/64/96/430886496.db2.gz BSGYIDHYTHOTEN-KRWDZBQOSA-N 2 1 303.450 2.941 20 0 DFADMP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000665289806 430887502 /nfs/dbraw/zinc/88/75/02/430887502.db2.gz XNHMNKLLIXEEIM-ZDUSSCGKSA-N 2 1 306.797 2.535 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)on1 ZINC000665299303 430888446 /nfs/dbraw/zinc/88/84/46/430888446.db2.gz KDSVRVSFYLUBSA-UONOGXRCSA-N 2 1 315.417 2.828 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000655130787 430905925 /nfs/dbraw/zinc/90/59/25/430905925.db2.gz YOEJJDQNPAXOGX-SUMWQHHRSA-N 2 1 301.434 2.516 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1conc1Cc1ccccc1)C2 ZINC000645151200 430916068 /nfs/dbraw/zinc/91/60/68/430916068.db2.gz BCPMGGPFNQQYID-MRXNPFEDSA-N 2 1 308.385 2.567 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648872456 430921625 /nfs/dbraw/zinc/92/16/25/430921625.db2.gz BTDHYBCNFWTYAR-GOSISDBHSA-N 2 1 319.493 2.542 20 0 DFADMP Cc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000645171921 430924196 /nfs/dbraw/zinc/92/41/96/430924196.db2.gz PCCNTOCZKNXTNQ-YTQUADARSA-N 2 1 311.429 2.983 20 0 DFADMP Cc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000645171921 430924202 /nfs/dbraw/zinc/92/42/02/430924202.db2.gz PCCNTOCZKNXTNQ-YTQUADARSA-N 2 1 311.429 2.983 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000648881552 430924561 /nfs/dbraw/zinc/92/45/61/430924561.db2.gz DXUWJALGUCVIPH-OAHLLOKOSA-N 2 1 320.481 2.635 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000648881552 430924565 /nfs/dbraw/zinc/92/45/65/430924565.db2.gz DXUWJALGUCVIPH-OAHLLOKOSA-N 2 1 320.481 2.635 20 0 DFADMP Cc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000645171918 430925026 /nfs/dbraw/zinc/92/50/26/430925026.db2.gz PCCNTOCZKNXTNQ-BHIYHBOVSA-N 2 1 311.429 2.983 20 0 DFADMP Cc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000645171918 430925030 /nfs/dbraw/zinc/92/50/30/430925030.db2.gz PCCNTOCZKNXTNQ-BHIYHBOVSA-N 2 1 311.429 2.983 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645180652 430926188 /nfs/dbraw/zinc/92/61/88/430926188.db2.gz WLVXEBGESFAESV-AWEZNQCLSA-N 2 1 301.438 2.743 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CC[C@@H](C[N@H+](C)CC4CC4)C3)c2c1C ZINC000645183751 430927679 /nfs/dbraw/zinc/92/76/79/430927679.db2.gz RIIZTIODADFKSY-HNNXBMFYSA-N 2 1 313.449 2.743 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)c2c1C ZINC000645183751 430927683 /nfs/dbraw/zinc/92/76/83/430927683.db2.gz RIIZTIODADFKSY-HNNXBMFYSA-N 2 1 313.449 2.743 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000652221909 430991115 /nfs/dbraw/zinc/99/11/15/430991115.db2.gz ADFWODPXLLOJQW-CQSZACIVSA-N 2 1 319.449 2.646 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000652221909 430991116 /nfs/dbraw/zinc/99/11/16/430991116.db2.gz ADFWODPXLLOJQW-CQSZACIVSA-N 2 1 319.449 2.646 20 0 DFADMP Cc1noc(C2CCC([NH2+]CCC[N@H+](C)CC(C)C)CC2)n1 ZINC000652221924 430991947 /nfs/dbraw/zinc/99/19/47/430991947.db2.gz AGMGYNIPZQWVRQ-UHFFFAOYSA-N 2 1 308.470 2.972 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000652222878 430993090 /nfs/dbraw/zinc/99/30/90/430993090.db2.gz ZRGAFQBIDMOCOA-MRXNPFEDSA-N 2 1 315.465 2.896 20 0 DFADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248782 431011922 /nfs/dbraw/zinc/01/19/22/431011922.db2.gz JHLOZLKRPSWPCE-NSHDSACASA-N 2 1 300.855 2.744 20 0 DFADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249169 431011999 /nfs/dbraw/zinc/01/19/99/431011999.db2.gz ILOMPSZKNLRDNB-QGZVFWFLSA-N 2 1 302.462 2.937 20 0 DFADMP FC1(F)Oc2ccc(CC[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2O1 ZINC000662233492 431007726 /nfs/dbraw/zinc/00/77/26/431007726.db2.gz FCBMLCMWYJSWQE-UHFFFAOYSA-N 2 1 324.371 2.767 20 0 DFADMP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258503 431019855 /nfs/dbraw/zinc/01/98/55/431019855.db2.gz VOALQPCFQNFXJG-DOTOQJQBSA-N 2 1 316.445 2.743 20 0 DFADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258679 431020514 /nfs/dbraw/zinc/02/05/14/431020514.db2.gz YZBMQWPYERKXJW-MSOLQXFVSA-N 2 1 302.462 2.851 20 0 DFADMP COc1ccc(-c2cc(C[N@H+](C)[C@H]3CCC[NH2+]CC3)on2)cc1 ZINC000662265468 431022320 /nfs/dbraw/zinc/02/23/20/431022320.db2.gz BQIVCBLBYRLAKV-HNNXBMFYSA-N 2 1 315.417 2.924 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)on2)cc1 ZINC000662265468 431022322 /nfs/dbraw/zinc/02/23/22/431022322.db2.gz BQIVCBLBYRLAKV-HNNXBMFYSA-N 2 1 315.417 2.924 20 0 DFADMP CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662266180 431023143 /nfs/dbraw/zinc/02/31/43/431023143.db2.gz YSQCWHMPZRUSES-RBUKOAKNSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662266180 431023144 /nfs/dbraw/zinc/02/31/44/431023144.db2.gz YSQCWHMPZRUSES-RBUKOAKNSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662266180 431023146 /nfs/dbraw/zinc/02/31/46/431023146.db2.gz YSQCWHMPZRUSES-RBUKOAKNSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339448 431024554 /nfs/dbraw/zinc/02/45/54/431024554.db2.gz VZNWDYJMAONKDE-PMACEKPBSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339448 431024559 /nfs/dbraw/zinc/02/45/59/431024559.db2.gz VZNWDYJMAONKDE-PMACEKPBSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339448 431024566 /nfs/dbraw/zinc/02/45/66/431024566.db2.gz VZNWDYJMAONKDE-PMACEKPBSA-N 2 1 313.489 2.781 20 0 DFADMP CC[N@@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000655484823 431025288 /nfs/dbraw/zinc/02/52/88/431025288.db2.gz YJCDTWSHPKECLH-INIZCTEOSA-N 2 1 309.498 2.537 20 0 DFADMP C[NH2+]C[C@](C)(O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000652336860 431026216 /nfs/dbraw/zinc/02/62/16/431026216.db2.gz IJRLXBGAEFAUOY-PMACEKPBSA-N 2 1 310.441 2.605 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCc3ccsc3)C2)C1 ZINC000652349314 431027478 /nfs/dbraw/zinc/02/74/78/431027478.db2.gz KGFWIRBAECBDFV-ZACQAIPSSA-N 2 1 308.491 2.899 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCSc3ccccc3)C2)C1 ZINC000652347975 431027509 /nfs/dbraw/zinc/02/75/09/431027509.db2.gz QOTXLPNNRAXFMI-JFIYKMOQSA-N 2 1 320.502 2.997 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CCOc1ccc(F)cc1Cl)C2 ZINC000652352335 431027980 /nfs/dbraw/zinc/02/79/80/431027980.db2.gz GVSYFAYDOHIVSZ-LRDDRELGSA-N 2 1 312.816 2.919 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc(F)cc1Cl)C2 ZINC000652352335 431027981 /nfs/dbraw/zinc/02/79/81/431027981.db2.gz GVSYFAYDOHIVSZ-LRDDRELGSA-N 2 1 312.816 2.919 20 0 DFADMP c1ccc(COCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000662271992 431028585 /nfs/dbraw/zinc/02/85/85/431028585.db2.gz ASVAIIFLUFFOSG-RTBURBONSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@@H]1CC[NH3+] ZINC000652355574 431029150 /nfs/dbraw/zinc/02/91/50/431029150.db2.gz ADDFVIUEXAVRQP-GDBMZVCRSA-N 2 1 300.450 2.565 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@H]1CC[NH3+] ZINC000652354545 431029173 /nfs/dbraw/zinc/02/91/73/431029173.db2.gz BQDVZHZTLFRIPQ-KSSFIOAISA-N 2 1 316.424 2.961 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@H]1CC[NH3+] ZINC000652354545 431029179 /nfs/dbraw/zinc/02/91/79/431029179.db2.gz BQDVZHZTLFRIPQ-KSSFIOAISA-N 2 1 316.424 2.961 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)[C@H]1CC[NH3+] ZINC000652354933 431029492 /nfs/dbraw/zinc/02/94/92/431029492.db2.gz KRWQFQZQLSIICU-WBVHZDCISA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)[C@H]1CC[NH3+] ZINC000652354933 431029496 /nfs/dbraw/zinc/02/94/96/431029496.db2.gz KRWQFQZQLSIICU-WBVHZDCISA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1CC[N@H+](CCSc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000662284783 431031876 /nfs/dbraw/zinc/03/18/76/431031876.db2.gz ZRXYJTHMDTXEIH-VXGBXAGGSA-N 2 1 300.418 2.974 20 0 DFADMP C[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000662284783 431031879 /nfs/dbraw/zinc/03/18/79/431031879.db2.gz ZRXYJTHMDTXEIH-VXGBXAGGSA-N 2 1 300.418 2.974 20 0 DFADMP CC1(C)CCCC[C@@H]1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662282109 431032575 /nfs/dbraw/zinc/03/25/75/431032575.db2.gz RYNPCMJWZLFGTD-ZACQAIPSSA-N 2 1 306.494 2.903 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccc(F)cc2)C1 ZINC000652360788 431033022 /nfs/dbraw/zinc/03/30/22/431033022.db2.gz QJSNTBUHJWKBAN-KBAYOESNSA-N 2 1 322.424 2.565 20 0 DFADMP CCn1cc(C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C(C)C)cn1 ZINC000662287339 431035971 /nfs/dbraw/zinc/03/59/71/431035971.db2.gz ZCQDRIQRPGXMKC-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294665 431036326 /nfs/dbraw/zinc/03/63/26/431036326.db2.gz DNYGORYKYSUBGO-SWLSCSKDSA-N 2 1 304.438 2.720 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ncn(-c3ccccc3)n2)[C@@H]1CCC[NH3+] ZINC000662317302 431045074 /nfs/dbraw/zinc/04/50/74/431045074.db2.gz PSDXSJQZEJPLQN-NVXWUHKLSA-N 2 1 313.449 2.607 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ncn(-c3ccccc3)n2)[C@@H]1CCC[NH3+] ZINC000662317302 431045078 /nfs/dbraw/zinc/04/50/78/431045078.db2.gz PSDXSJQZEJPLQN-NVXWUHKLSA-N 2 1 313.449 2.607 20 0 DFADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313350 431045092 /nfs/dbraw/zinc/04/50/92/431045092.db2.gz LAFLMMPSZPVKAL-QBPKDAKJSA-N 2 1 309.498 2.521 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662325911 431046419 /nfs/dbraw/zinc/04/64/19/431046419.db2.gz LDWVDNIOHLUOSP-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCOc2ccccc2)CCO1 ZINC000662318962 431046601 /nfs/dbraw/zinc/04/66/01/431046601.db2.gz CHRDWDYLQCFSHN-IBGZPJMESA-N 2 1 320.477 2.888 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000662318884 431046955 /nfs/dbraw/zinc/04/69/55/431046955.db2.gz ACYBBJGFZINXBG-AEFFLSMTSA-N 2 1 306.425 2.856 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000662318884 431046962 /nfs/dbraw/zinc/04/69/62/431046962.db2.gz ACYBBJGFZINXBG-AEFFLSMTSA-N 2 1 306.425 2.856 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662319424 431047066 /nfs/dbraw/zinc/04/70/66/431047066.db2.gz MYXXJRRCHFTXHF-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP CCOc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662319424 431047071 /nfs/dbraw/zinc/04/70/71/431047071.db2.gz MYXXJRRCHFTXHF-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662324736 431047224 /nfs/dbraw/zinc/04/72/24/431047224.db2.gz BXLXCCRFHUVZIF-IBGZPJMESA-N 2 1 304.478 2.970 20 0 DFADMP COc1ccccc1CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325674 431047799 /nfs/dbraw/zinc/04/77/99/431047799.db2.gz PGOWQBLSQSLOBH-GOSISDBHSA-N 2 1 320.477 2.670 20 0 DFADMP C[N@@H+](CCN1CCC[C@@H]1[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000649296962 431061003 /nfs/dbraw/zinc/06/10/03/431061003.db2.gz VIHGIIDKFIERQZ-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](CCN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000649296962 431061009 /nfs/dbraw/zinc/06/10/09/431061009.db2.gz VIHGIIDKFIERQZ-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](CCN1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000649296962 431061011 /nfs/dbraw/zinc/06/10/11/431061011.db2.gz VIHGIIDKFIERQZ-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662389001 431068595 /nfs/dbraw/zinc/06/85/95/431068595.db2.gz RZGZYACGQUHVLD-OAHLLOKOSA-N 2 1 315.461 2.674 20 0 DFADMP C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249961 431014982 /nfs/dbraw/zinc/01/49/82/431014982.db2.gz WUUOYHFLNWNWKA-GFCCVEGCSA-N 2 1 315.244 2.946 20 0 DFADMP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249961 431014984 /nfs/dbraw/zinc/01/49/84/431014984.db2.gz WUUOYHFLNWNWKA-GFCCVEGCSA-N 2 1 315.244 2.946 20 0 DFADMP Fc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255503 431015003 /nfs/dbraw/zinc/01/50/03/431015003.db2.gz QLYHKEMFYUZUIR-KRWDZBQOSA-N 2 1 304.409 2.559 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253976 431015248 /nfs/dbraw/zinc/01/52/48/431015248.db2.gz CTZCVLQARFBKDA-CKEIUWERSA-N 2 1 304.409 2.730 20 0 DFADMP Clc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251138 431016649 /nfs/dbraw/zinc/01/66/49/431016649.db2.gz ZVFMXXXNLQINFA-HZPDHXFCSA-N 2 1 306.837 2.998 20 0 DFADMP C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250130 431017277 /nfs/dbraw/zinc/01/72/77/431017277.db2.gz YVHSLCZIRXDOAR-CYBMUJFWSA-N 2 1 315.244 2.946 20 0 DFADMP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250130 431017279 /nfs/dbraw/zinc/01/72/79/431017279.db2.gz YVHSLCZIRXDOAR-CYBMUJFWSA-N 2 1 315.244 2.946 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662258202 431017698 /nfs/dbraw/zinc/01/76/98/431017698.db2.gz XXABNEJLRNDKRV-LJQANCHMSA-N 2 1 300.446 2.725 20 0 DFADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662256229 431017814 /nfs/dbraw/zinc/01/78/14/431017814.db2.gz JOJUBPZCXDXKNX-AEFFLSMTSA-N 2 1 300.446 2.961 20 0 DFADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662256231 431018963 /nfs/dbraw/zinc/01/89/63/431018963.db2.gz JOJUBPZCXDXKNX-SJLPKXTDSA-N 2 1 300.446 2.961 20 0 DFADMP c1ccc(SC[C@@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256354 431019319 /nfs/dbraw/zinc/01/93/19/431019319.db2.gz IMJLILDXSCJXNX-HZPDHXFCSA-N 2 1 318.486 2.622 20 0 DFADMP CC(C)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460668 431108593 /nfs/dbraw/zinc/10/85/93/431108593.db2.gz KBLODHVTGIUNID-DLBZAZTESA-N 2 1 304.482 2.640 20 0 DFADMP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655754522 431116865 /nfs/dbraw/zinc/11/68/65/431116865.db2.gz AIZRFJMATQKUBP-GXTWGEPZSA-N 2 1 308.388 2.950 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cncc(C)n2)CC1 ZINC000649489729 431119576 /nfs/dbraw/zinc/11/95/76/431119576.db2.gz FBUOQQASFKDOAA-UHFFFAOYSA-N 2 1 304.482 2.771 20 0 DFADMP Cc1cncc(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000649502442 431126626 /nfs/dbraw/zinc/12/66/26/431126626.db2.gz GHDOVJRDTJSXBI-SFHVURJKSA-N 2 1 316.493 2.771 20 0 DFADMP Cc1cncc(CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000649502442 431126631 /nfs/dbraw/zinc/12/66/31/431126631.db2.gz GHDOVJRDTJSXBI-SFHVURJKSA-N 2 1 316.493 2.771 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000662592706 431125023 /nfs/dbraw/zinc/12/50/23/431125023.db2.gz JQDDROOEVZWUGL-KBPBESRZSA-N 2 1 303.450 2.557 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000649378698 431081731 /nfs/dbraw/zinc/08/17/31/431081731.db2.gz XKQGOVIKUUMPRA-HNNXBMFYSA-N 2 1 309.498 2.617 20 0 DFADMP COC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC(C)CC1 ZINC000655764650 431125456 /nfs/dbraw/zinc/12/54/56/431125456.db2.gz NRTZTUAXTGSYFG-AVAKVYKDSA-N 2 1 324.509 2.815 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662449596 431083490 /nfs/dbraw/zinc/08/34/90/431083490.db2.gz ZFMNSYNPKDAJDK-OAHLLOKOSA-N 2 1 324.428 2.526 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662449595 431084006 /nfs/dbraw/zinc/08/40/06/431084006.db2.gz ZFMNSYNPKDAJDK-HNNXBMFYSA-N 2 1 324.428 2.526 20 0 DFADMP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655694264 431084238 /nfs/dbraw/zinc/08/42/38/431084238.db2.gz FWJQOGBORYJKMI-SFHVURJKSA-N 2 1 318.461 2.818 20 0 DFADMP CCCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655694263 431085274 /nfs/dbraw/zinc/08/52/74/431085274.db2.gz FWJQOGBORYJKMI-GOSISDBHSA-N 2 1 318.461 2.818 20 0 DFADMP Cc1ccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655700147 431088189 /nfs/dbraw/zinc/08/81/89/431088189.db2.gz DSOLAGDZVPIVRV-GOSISDBHSA-N 2 1 318.461 2.525 20 0 DFADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1C2CC3CC(C2)CC1C3 ZINC000655701250 431088953 /nfs/dbraw/zinc/08/89/53/431088953.db2.gz DFWUEJHGZRGZNR-SWGHUGEVSA-N 2 1 318.505 2.902 20 0 DFADMP Cc1nc(C)c(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000655712841 431093990 /nfs/dbraw/zinc/09/39/90/431093990.db2.gz WPPHFBSMXXXYLV-MRXNPFEDSA-N 2 1 323.506 2.535 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(C[C@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000649412907 431094363 /nfs/dbraw/zinc/09/43/63/431094363.db2.gz DAEPSCMQKVQDTH-PMACEKPBSA-N 2 1 313.489 2.584 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655711111 431094855 /nfs/dbraw/zinc/09/48/55/431094855.db2.gz GWJAZBPNKQJYAR-AEFFLSMTSA-N 2 1 300.446 2.559 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Oc1ccccc1 ZINC000655715624 431095831 /nfs/dbraw/zinc/09/58/31/431095831.db2.gz MNIPKLWFRTWFID-KRWDZBQOSA-N 2 1 318.461 2.687 20 0 DFADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418046 431096017 /nfs/dbraw/zinc/09/60/17/431096017.db2.gz XOULZRHSYLVDMQ-IAGOWNOFSA-N 2 1 312.461 2.854 20 0 DFADMP CN(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000649418221 431096320 /nfs/dbraw/zinc/09/63/20/431096320.db2.gz JRUMOBICHUEVHQ-ZWKOTPCHSA-N 2 1 301.478 2.834 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)[C@H](C)C1 ZINC000655714862 431096975 /nfs/dbraw/zinc/09/69/75/431096975.db2.gz FNVSYYKMVVRRHD-VQHPVUNQSA-N 2 1 314.539 2.997 20 0 DFADMP Cc1ccccc1O[C@@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655720225 431098453 /nfs/dbraw/zinc/09/84/53/431098453.db2.gz QNOJKONQYXIQOP-FUHWJXTLSA-N 2 1 318.461 2.605 20 0 DFADMP Cc1ccc(O[C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655720208 431100097 /nfs/dbraw/zinc/10/00/97/431100097.db2.gz QADIWLLGEYWTAC-AEFFLSMTSA-N 2 1 318.461 2.605 20 0 DFADMP Cc1ccc(O[C@@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655720211 431100159 /nfs/dbraw/zinc/10/01/59/431100159.db2.gz QADIWLLGEYWTAC-WMZOPIPTSA-N 2 1 318.461 2.605 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NCCC[N@@H+](C)CC(C)C)cc1 ZINC000652611513 431100671 /nfs/dbraw/zinc/10/06/71/431100671.db2.gz LWCVAMPOZPGZIP-UHFFFAOYSA-N 2 1 306.454 2.505 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652756793 431126095 /nfs/dbraw/zinc/12/60/95/431126095.db2.gz UEJUFYOJQNIAQY-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652756793 431126102 /nfs/dbraw/zinc/12/61/02/431126102.db2.gz UEJUFYOJQNIAQY-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+](CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC000652756793 431126108 /nfs/dbraw/zinc/12/61/08/431126108.db2.gz UEJUFYOJQNIAQY-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1 ZINC000655731118 431103951 /nfs/dbraw/zinc/10/39/51/431103951.db2.gz VEZQVGXNNFOBEW-APWZRJJASA-N 2 1 318.461 2.687 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000655733340 431105564 /nfs/dbraw/zinc/10/55/64/431105564.db2.gz LJPFUBSWWGNPSW-ROUUACIJSA-N 2 1 322.493 2.711 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1CCn2ccnc2C1)c1ccccc1 ZINC000645892687 431105755 /nfs/dbraw/zinc/10/57/55/431105755.db2.gz GPNARSCMBIGZNE-QGZVFWFLSA-N 2 1 312.461 2.904 20 0 DFADMP CN(CCC[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000645892687 431105758 /nfs/dbraw/zinc/10/57/58/431105758.db2.gz GPNARSCMBIGZNE-QGZVFWFLSA-N 2 1 312.461 2.904 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000645892687 431105761 /nfs/dbraw/zinc/10/57/61/431105761.db2.gz GPNARSCMBIGZNE-QGZVFWFLSA-N 2 1 312.461 2.904 20 0 DFADMP CCC(CC)[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)OC ZINC000655734415 431106751 /nfs/dbraw/zinc/10/67/51/431106751.db2.gz HSYXXIYIYMEXQD-ROUUACIJSA-N 2 1 312.498 2.671 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccn1 ZINC000655772182 431129635 /nfs/dbraw/zinc/12/96/35/431129635.db2.gz VCWAPMNXAQFNPL-QGZVFWFLSA-N 2 1 317.477 2.592 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000188707049 279043192 /nfs/dbraw/zinc/04/31/92/279043192.db2.gz HVINOVLCQVPFEF-LJQANCHMSA-N 2 1 323.440 2.599 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000266040349 279043994 /nfs/dbraw/zinc/04/39/94/279043994.db2.gz CFTFJOSDFPRAOX-SZMVWBNQSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000266040349 279043995 /nfs/dbraw/zinc/04/39/95/279043995.db2.gz CFTFJOSDFPRAOX-SZMVWBNQSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000266040349 279043997 /nfs/dbraw/zinc/04/39/97/279043997.db2.gz CFTFJOSDFPRAOX-SZMVWBNQSA-N 2 1 317.477 2.621 20 0 DFADMP CCOC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000655771043 431128423 /nfs/dbraw/zinc/12/84/23/431128423.db2.gz YHISYOGLECIAQM-KRWDZBQOSA-N 2 1 310.482 2.569 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000109120954 279141369 /nfs/dbraw/zinc/14/13/69/279141369.db2.gz VALMPTNGRGORFT-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000178158726 288102071 /nfs/dbraw/zinc/10/20/71/288102071.db2.gz NDFCZZNXJQTQEK-JTDSTZFVSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178158726 288102072 /nfs/dbraw/zinc/10/20/72/288102072.db2.gz NDFCZZNXJQTQEK-JTDSTZFVSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178158726 288102073 /nfs/dbraw/zinc/10/20/73/288102073.db2.gz NDFCZZNXJQTQEK-JTDSTZFVSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807207 288102225 /nfs/dbraw/zinc/10/22/25/288102225.db2.gz VAOZAMPYGWQFCR-BODMPHMZSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000124807207 288102226 /nfs/dbraw/zinc/10/22/26/288102226.db2.gz VAOZAMPYGWQFCR-BODMPHMZSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000124807207 288102229 /nfs/dbraw/zinc/10/22/29/288102229.db2.gz VAOZAMPYGWQFCR-BODMPHMZSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120696807 288102305 /nfs/dbraw/zinc/10/23/05/288102305.db2.gz QYYAUMOBJUNJOP-IGCXYCKISA-N 2 1 322.424 2.553 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC[NH2+]C1 ZINC000261998164 279159073 /nfs/dbraw/zinc/15/90/73/279159073.db2.gz LAFSHWFRKYFNML-TZMCWYRMSA-N 2 1 316.371 2.538 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000666172098 431135836 /nfs/dbraw/zinc/13/58/36/431135836.db2.gz ANYCFRLNYLOVBI-CHWSQXEVSA-N 2 1 303.406 2.916 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309894097 279256309 /nfs/dbraw/zinc/25/63/09/279256309.db2.gz FVDWITMUFAASFT-QXCFHYIPSA-N 3 1 301.478 2.614 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000373548305 279353498 /nfs/dbraw/zinc/35/34/98/279353498.db2.gz NRQGOBYOQTUTFU-KRWDZBQOSA-N 2 1 302.466 2.794 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133992646 279356369 /nfs/dbraw/zinc/35/63/69/279356369.db2.gz RQOJAEWRLQIWLE-OALUTQOASA-N 2 1 307.526 2.986 20 0 DFADMP Cc1cncc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000649531605 431143766 /nfs/dbraw/zinc/14/37/66/431143766.db2.gz LUZYXZRGULAHBJ-ZWKOTPCHSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000649531605 431143774 /nfs/dbraw/zinc/14/37/74/431143774.db2.gz LUZYXZRGULAHBJ-ZWKOTPCHSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000649531605 431143778 /nfs/dbraw/zinc/14/37/78/431143778.db2.gz LUZYXZRGULAHBJ-ZWKOTPCHSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000649531605 431143783 /nfs/dbraw/zinc/14/37/83/431143783.db2.gz LUZYXZRGULAHBJ-ZWKOTPCHSA-N 2 1 316.493 2.914 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000356858319 279388414 /nfs/dbraw/zinc/38/84/14/279388414.db2.gz XMHBDMBYEDPJSB-BTHPGYMESA-N 2 1 324.472 2.772 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073977 431173753 /nfs/dbraw/zinc/17/37/53/431173753.db2.gz MRAXYWYEUISECR-HSALFYBXSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073977 431173759 /nfs/dbraw/zinc/17/37/59/431173759.db2.gz MRAXYWYEUISECR-HSALFYBXSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646073977 431173763 /nfs/dbraw/zinc/17/37/63/431173763.db2.gz MRAXYWYEUISECR-HSALFYBXSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649582048 431174848 /nfs/dbraw/zinc/17/48/48/431174848.db2.gz WAFZDSPYZZPIBG-RTBURBONSA-N 2 1 301.478 2.897 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649582048 431174856 /nfs/dbraw/zinc/17/48/56/431174856.db2.gz WAFZDSPYZZPIBG-RTBURBONSA-N 2 1 301.478 2.897 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)c1 ZINC000659906751 431185580 /nfs/dbraw/zinc/18/55/80/431185580.db2.gz PGJIEYTVKVZAIJ-KGLIPLIRSA-N 2 1 311.376 2.548 20 0 DFADMP CC[C@H](CC(F)F)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000659908397 431185980 /nfs/dbraw/zinc/18/59/80/431185980.db2.gz FGMXIVFEQAISKR-CVEARBPZSA-N 2 1 317.468 2.770 20 0 DFADMP COCC[C@@H](c1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105840 431188864 /nfs/dbraw/zinc/18/88/64/431188864.db2.gz JMHSTQXBCOHTAL-SFHVURJKSA-N 2 1 318.461 2.561 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000659931529 431197698 /nfs/dbraw/zinc/19/76/98/431197698.db2.gz OWKMXPJUDXRTTO-RTBURBONSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000659931529 431197700 /nfs/dbraw/zinc/19/77/00/431197700.db2.gz OWKMXPJUDXRTTO-RTBURBONSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000659931529 431197703 /nfs/dbraw/zinc/19/77/03/431197703.db2.gz OWKMXPJUDXRTTO-RTBURBONSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)[nH+]1 ZINC000659944032 431199845 /nfs/dbraw/zinc/19/98/45/431199845.db2.gz PLYUACHRXMAZDA-UONOGXRCSA-N 2 1 311.376 2.548 20 0 DFADMP C[C@@H]1CCN(C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649545749 431152777 /nfs/dbraw/zinc/15/27/77/431152777.db2.gz QPADWRSTWFARMZ-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CCN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649545749 431152783 /nfs/dbraw/zinc/15/27/83/431152783.db2.gz QPADWRSTWFARMZ-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CCN(C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649545749 431152789 /nfs/dbraw/zinc/15/27/89/431152789.db2.gz QPADWRSTWFARMZ-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667776 431155557 /nfs/dbraw/zinc/15/55/57/431155557.db2.gz DKMIBIFFRNRVQR-MAUKXSAKSA-N 2 1 315.461 2.518 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667776 431155566 /nfs/dbraw/zinc/15/55/66/431155566.db2.gz DKMIBIFFRNRVQR-MAUKXSAKSA-N 2 1 315.461 2.518 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667448 431155791 /nfs/dbraw/zinc/15/57/91/431155791.db2.gz AVKBSQAZZXSEJL-CGTJXYLNSA-N 2 1 321.509 2.807 20 0 DFADMP [NH3+][C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668548 431156394 /nfs/dbraw/zinc/15/63/94/431156394.db2.gz OOPFMQILKYVBRF-WMZOPIPTSA-N 2 1 315.461 2.600 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1([NH3+])CC1 ZINC000662675969 431160012 /nfs/dbraw/zinc/16/00/12/431160012.db2.gz RTBKPCZNNKHZLI-HNNXBMFYSA-N 2 1 315.461 2.559 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCN2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000659946022 431205190 /nfs/dbraw/zinc/20/51/90/431205190.db2.gz YTTDRDIKDRHKSN-ROUUACIJSA-N 2 1 307.526 2.915 20 0 DFADMP O[C@@H]1CCC[C@H]1[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659979232 431219650 /nfs/dbraw/zinc/21/96/50/431219650.db2.gz KGQRJRYWSBXCBJ-VAMGGRTRSA-N 2 1 314.473 2.888 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659979232 431219654 /nfs/dbraw/zinc/21/96/54/431219654.db2.gz KGQRJRYWSBXCBJ-VAMGGRTRSA-N 2 1 314.473 2.888 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659979232 431219661 /nfs/dbraw/zinc/21/96/61/431219661.db2.gz KGQRJRYWSBXCBJ-VAMGGRTRSA-N 2 1 314.473 2.888 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2cc(C(C)C)ccc2OC)C[C@H]1C[NH3+] ZINC000655941972 431225881 /nfs/dbraw/zinc/22/58/81/431225881.db2.gz GZGDBEYFHBWQME-SJLPKXTDSA-N 2 1 306.450 2.614 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2cc(C(C)C)ccc2OC)C[C@H]1C[NH3+] ZINC000655941972 431225887 /nfs/dbraw/zinc/22/58/87/431225887.db2.gz GZGDBEYFHBWQME-SJLPKXTDSA-N 2 1 306.450 2.614 20 0 DFADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000662886822 431228922 /nfs/dbraw/zinc/22/89/22/431228922.db2.gz OMMUPEKMICHWLQ-BBRMVZONSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000646275472 431250736 /nfs/dbraw/zinc/25/07/36/431250736.db2.gz YYKCIEKHMDOQCJ-VYDXJSESSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000646275472 431250741 /nfs/dbraw/zinc/25/07/41/431250741.db2.gz YYKCIEKHMDOQCJ-VYDXJSESSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660114680 431276426 /nfs/dbraw/zinc/27/64/26/431276426.db2.gz JURFNLGHVZQFOV-AJYBTWMASA-N 2 1 319.537 2.913 20 0 DFADMP C[C@@H]([NH3+])CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000666656990 431316924 /nfs/dbraw/zinc/31/69/24/431316924.db2.gz AYTGZKDBUNWGLK-CQSZACIVSA-N 2 1 318.465 2.920 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000653200887 431305176 /nfs/dbraw/zinc/30/51/76/431305176.db2.gz TTYCIMUJRTWMKL-HOTGVXAUSA-N 2 1 309.498 2.665 20 0 DFADMP CC[N@@H+](CCCNC(=O)C(CC)(CC)C[NH3+])C1CCCCC1 ZINC000653200543 431306114 /nfs/dbraw/zinc/30/61/14/431306114.db2.gz IBRKBRRSEQZISF-UHFFFAOYSA-N 2 1 311.514 2.912 20 0 DFADMP CC[N@@H+](CCCNC(=O)CC[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000653200367 431306198 /nfs/dbraw/zinc/30/61/98/431306198.db2.gz BUODPRNAPKSFFY-MRXNPFEDSA-N 2 1 309.498 2.537 20 0 DFADMP FC(F)(F)Oc1cccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCC2)c1 ZINC000656200544 431306479 /nfs/dbraw/zinc/30/64/79/431306479.db2.gz ORWKDJGWCHNFPJ-CYBMUJFWSA-N 2 1 314.351 2.958 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCN(Cc3ccccc3)CC[C@H]2C)CC[NH2+]1 ZINC000666636652 431310147 /nfs/dbraw/zinc/31/01/47/431310147.db2.gz CQTWWNVNJBTHPZ-QWFCFKBJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746571 431271613 /nfs/dbraw/zinc/27/16/13/431271613.db2.gz CKNOHMRPTLGDCC-GUYCJALGSA-N 2 1 322.880 2.757 20 0 DFADMP C[C@H]1C[N@H+](C[C@@H](O)CN(C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746571 431271615 /nfs/dbraw/zinc/27/16/15/431271615.db2.gz CKNOHMRPTLGDCC-GUYCJALGSA-N 2 1 322.880 2.757 20 0 DFADMP C[C@H]1C[N@@H+](C[C@@H](O)CN(C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746571 431271620 /nfs/dbraw/zinc/27/16/20/431271620.db2.gz CKNOHMRPTLGDCC-GUYCJALGSA-N 2 1 322.880 2.757 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769752 431350344 /nfs/dbraw/zinc/35/03/44/431350344.db2.gz FDXWYHQWQZMRSM-HZPDHXFCSA-N 2 1 306.450 2.757 20 0 DFADMP C[C@@H](O)C[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000656277622 431353806 /nfs/dbraw/zinc/35/38/06/431353806.db2.gz CVJMFRHFKBWYRV-MRXNPFEDSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H](O)C[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000656277622 431353808 /nfs/dbraw/zinc/35/38/08/431353808.db2.gz CVJMFRHFKBWYRV-MRXNPFEDSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H](O)C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000656277622 431353814 /nfs/dbraw/zinc/35/38/14/431353814.db2.gz CVJMFRHFKBWYRV-MRXNPFEDSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H](O)C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000656277622 431353820 /nfs/dbraw/zinc/35/38/20/431353820.db2.gz CVJMFRHFKBWYRV-MRXNPFEDSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H](CN)C2CCCCC2)cc1 ZINC000666801076 431364302 /nfs/dbraw/zinc/36/43/02/431364302.db2.gz AOAJYBPQOARUIN-LJQANCHMSA-N 2 1 319.493 2.624 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)C1CCCCC1 ZINC000666801077 431364380 /nfs/dbraw/zinc/36/43/80/431364380.db2.gz CHPIBZABROVSLT-GOSISDBHSA-N 2 1 315.461 2.576 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000666802227 431364497 /nfs/dbraw/zinc/36/44/97/431364497.db2.gz IRLDEEUHIHYAGI-UHFFFAOYSA-N 2 1 314.433 2.837 20 0 DFADMP C[C@@H]1C[NH+](CCCCCC[N@H+]2CCCO[C@H](C)C2)CCCO1 ZINC000170933240 288158262 /nfs/dbraw/zinc/15/82/62/288158262.db2.gz SFDKDILCUGDCFW-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525837 431419675 /nfs/dbraw/zinc/41/96/75/431419675.db2.gz INIBHCIDVBNFDU-OALUTQOASA-N 2 1 304.478 2.562 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525837 431419681 /nfs/dbraw/zinc/41/96/81/431419681.db2.gz INIBHCIDVBNFDU-OALUTQOASA-N 2 1 304.478 2.562 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525837 431419686 /nfs/dbraw/zinc/41/96/86/431419686.db2.gz INIBHCIDVBNFDU-OALUTQOASA-N 2 1 304.478 2.562 20 0 DFADMP C[NH+](C)C1(C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000666946682 431419892 /nfs/dbraw/zinc/41/98/92/431419892.db2.gz CWBCYFKMOKMJFT-UHFFFAOYSA-N 2 1 315.461 2.748 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347226 431374905 /nfs/dbraw/zinc/37/49/05/431374905.db2.gz HMOVFVZBMVDRGA-SFHVURJKSA-N 2 1 315.461 2.857 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663345044 431375375 /nfs/dbraw/zinc/37/53/75/431375375.db2.gz GBUIIJVIMWIBNY-SFHVURJKSA-N 2 1 316.493 2.749 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663345044 431375382 /nfs/dbraw/zinc/37/53/82/431375382.db2.gz GBUIIJVIMWIBNY-SFHVURJKSA-N 2 1 316.493 2.749 20 0 DFADMP C[N@@H+](CC1CC=CC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334440 431384738 /nfs/dbraw/zinc/38/47/38/431384738.db2.gz MCRDWLBMKNLAHG-LJQANCHMSA-N 2 1 300.446 2.521 20 0 DFADMP C[N@H+](CC1CC=CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334440 431384744 /nfs/dbraw/zinc/38/47/44/431384744.db2.gz MCRDWLBMKNLAHG-LJQANCHMSA-N 2 1 300.446 2.521 20 0 DFADMP C[N@@H+](CC1CC=CC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334440 431384751 /nfs/dbraw/zinc/38/47/51/431384751.db2.gz MCRDWLBMKNLAHG-LJQANCHMSA-N 2 1 300.446 2.521 20 0 DFADMP C[NH+](CC1CC=CC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334440 431384753 /nfs/dbraw/zinc/38/47/53/431384753.db2.gz MCRDWLBMKNLAHG-LJQANCHMSA-N 2 1 300.446 2.521 20 0 DFADMP C[NH+](CC1CC=CC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334440 431384757 /nfs/dbraw/zinc/38/47/57/431384757.db2.gz MCRDWLBMKNLAHG-LJQANCHMSA-N 2 1 300.446 2.521 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(NC[C@@H]3CCC[NH2+]C3)n2)C1 ZINC000653472156 431389291 /nfs/dbraw/zinc/38/92/91/431389291.db2.gz HKQHNVNBFJAISJ-CQSZACIVSA-N 2 1 303.454 2.515 20 0 DFADMP C[C@@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000653471993 431390223 /nfs/dbraw/zinc/39/02/23/431390223.db2.gz CNFOCNKTMGCRGN-HUUCEWRRSA-N 2 1 317.481 2.903 20 0 DFADMP Cn1c2ccccc2cc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1=O ZINC000653581569 431444368 /nfs/dbraw/zinc/44/43/68/431444368.db2.gz WPWHGJDVQVGHAT-HNNXBMFYSA-N 2 1 322.412 2.641 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000663502120 431444922 /nfs/dbraw/zinc/44/49/22/431444922.db2.gz FWXOSWBIVTYLAA-LJQANCHMSA-N 2 1 321.484 2.796 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H](C4CC[NH2+]CC4)C3)c2c1C ZINC000656609353 431449023 /nfs/dbraw/zinc/44/90/23/431449023.db2.gz NHNIMUWRZQYDNE-HNNXBMFYSA-N 2 1 313.449 2.791 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000653598379 431453108 /nfs/dbraw/zinc/45/31/08/431453108.db2.gz XBJKRCPJNTVZFC-ZDUSSCGKSA-N 2 1 303.406 2.721 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000653602120 431453971 /nfs/dbraw/zinc/45/39/71/431453971.db2.gz OLPMIOGWSCMMQA-ROUUACIJSA-N 2 1 308.441 2.959 20 0 DFADMP COC[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OC ZINC000660486619 431455378 /nfs/dbraw/zinc/45/53/78/431455378.db2.gz KRCWJVOKGUKPNV-QZTJIDSGSA-N 2 1 320.477 2.538 20 0 DFADMP COC[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OC ZINC000660486619 431455381 /nfs/dbraw/zinc/45/53/81/431455381.db2.gz KRCWJVOKGUKPNV-QZTJIDSGSA-N 2 1 320.477 2.538 20 0 DFADMP CCC[C@@H](NC[C@H](O)C[N@@H+](C)CC)c1ccc(F)cc1F ZINC000653607065 431455758 /nfs/dbraw/zinc/45/57/58/431455758.db2.gz RNGLNQRVZZLTTI-XJKSGUPXSA-N 2 1 300.393 2.708 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000653606529 431457621 /nfs/dbraw/zinc/45/76/21/431457621.db2.gz OXJLPQALBCLWNZ-ROUUACIJSA-N 2 1 308.441 2.959 20 0 DFADMP CCN(C)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000653606529 431457627 /nfs/dbraw/zinc/45/76/27/431457627.db2.gz OXJLPQALBCLWNZ-ROUUACIJSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000653606529 431457635 /nfs/dbraw/zinc/45/76/35/431457635.db2.gz OXJLPQALBCLWNZ-ROUUACIJSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000653606529 431457641 /nfs/dbraw/zinc/45/76/41/431457641.db2.gz OXJLPQALBCLWNZ-ROUUACIJSA-N 2 1 308.441 2.959 20 0 DFADMP COCc1ccc([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)o1 ZINC000653618672 431463953 /nfs/dbraw/zinc/46/39/53/431463953.db2.gz RZYOOIMYYFBGIC-INIZCTEOSA-N 2 1 303.406 2.929 20 0 DFADMP COCc1ccc([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)o1 ZINC000653618672 431463962 /nfs/dbraw/zinc/46/39/62/431463962.db2.gz RZYOOIMYYFBGIC-INIZCTEOSA-N 2 1 303.406 2.929 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000663465091 431430356 /nfs/dbraw/zinc/43/03/56/431430356.db2.gz HZJVSDAUUFCLDB-GDBMZVCRSA-N 2 1 303.450 2.863 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000663465091 431430360 /nfs/dbraw/zinc/43/03/60/431430360.db2.gz HZJVSDAUUFCLDB-GDBMZVCRSA-N 2 1 303.450 2.863 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)n1 ZINC000663467223 431430379 /nfs/dbraw/zinc/43/03/79/431430379.db2.gz DSMKUURZODVWRQ-DYVFJYSZSA-N 2 1 302.466 2.866 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000663467223 431430385 /nfs/dbraw/zinc/43/03/85/431430385.db2.gz DSMKUURZODVWRQ-DYVFJYSZSA-N 2 1 302.466 2.866 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663466068 431432883 /nfs/dbraw/zinc/43/28/83/431432883.db2.gz NTMRVZFCPILBCM-VJANTYMQSA-N 2 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663466068 431432890 /nfs/dbraw/zinc/43/28/90/431432890.db2.gz NTMRVZFCPILBCM-VJANTYMQSA-N 2 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663466068 431432897 /nfs/dbraw/zinc/43/28/97/431432897.db2.gz NTMRVZFCPILBCM-VJANTYMQSA-N 2 1 305.510 2.571 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663466068 431432900 /nfs/dbraw/zinc/43/29/00/431432900.db2.gz NTMRVZFCPILBCM-VJANTYMQSA-N 3 1 305.510 2.571 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663466068 431432907 /nfs/dbraw/zinc/43/29/07/431432907.db2.gz NTMRVZFCPILBCM-VJANTYMQSA-N 3 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663466068 431432912 /nfs/dbraw/zinc/43/29/12/431432912.db2.gz NTMRVZFCPILBCM-VJANTYMQSA-N 3 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]2CCC[C@@H]21 ZINC000663466068 431432915 /nfs/dbraw/zinc/43/29/15/431432915.db2.gz NTMRVZFCPILBCM-VJANTYMQSA-N 3 1 305.510 2.571 20 0 DFADMP COc1cccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663468777 431434039 /nfs/dbraw/zinc/43/40/39/431434039.db2.gz MRWNXFAIERBOCK-WBVHZDCISA-N 2 1 317.477 2.733 20 0 DFADMP COCc1nc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656784726 431519045 /nfs/dbraw/zinc/51/90/45/431519045.db2.gz GHOMJYDXDKLBQQ-AWEZNQCLSA-N 2 1 309.479 2.501 20 0 DFADMP CCc1ccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660623496 431519648 /nfs/dbraw/zinc/51/96/48/431519648.db2.gz NSLWETRGKQWHCG-RTBURBONSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660623496 431519655 /nfs/dbraw/zinc/51/96/55/431519655.db2.gz NSLWETRGKQWHCG-RTBURBONSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660623496 431519659 /nfs/dbraw/zinc/51/96/59/431519659.db2.gz NSLWETRGKQWHCG-RTBURBONSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660623496 431519665 /nfs/dbraw/zinc/51/96/65/431519665.db2.gz NSLWETRGKQWHCG-RTBURBONSA-N 2 1 304.478 2.739 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778147 431523155 /nfs/dbraw/zinc/52/31/55/431523155.db2.gz GULDEDJWMPELCG-QGZVFWFLSA-N 2 1 314.429 2.617 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000653779008 431523201 /nfs/dbraw/zinc/52/32/01/431523201.db2.gz VUIYUQXGVMBUBQ-CZUORRHYSA-N 2 1 310.869 2.614 20 0 DFADMP CCN(C)C[C@@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000653779008 431523209 /nfs/dbraw/zinc/52/32/09/431523209.db2.gz VUIYUQXGVMBUBQ-CZUORRHYSA-N 2 1 310.869 2.614 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000653779008 431523217 /nfs/dbraw/zinc/52/32/17/431523217.db2.gz VUIYUQXGVMBUBQ-CZUORRHYSA-N 2 1 310.869 2.614 20 0 DFADMP CCCn1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248800 431527511 /nfs/dbraw/zinc/52/75/11/431527511.db2.gz GJTZSSJKKIAYTQ-MOPGFXCFSA-N 2 1 312.461 2.728 20 0 DFADMP CCCn1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248800 431527518 /nfs/dbraw/zinc/52/75/18/431527518.db2.gz GJTZSSJKKIAYTQ-MOPGFXCFSA-N 2 1 312.461 2.728 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000656695002 431482665 /nfs/dbraw/zinc/48/26/65/431482665.db2.gz YWLHBFZWPIZOFC-BEFAXECRSA-N 2 1 304.478 2.917 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000656695002 431482672 /nfs/dbraw/zinc/48/26/72/431482672.db2.gz YWLHBFZWPIZOFC-BEFAXECRSA-N 2 1 304.478 2.917 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000653675912 431486043 /nfs/dbraw/zinc/48/60/43/431486043.db2.gz YCSPREUKIPUBNQ-ZIAGYGMSSA-N 2 1 304.409 2.942 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000653675912 431486049 /nfs/dbraw/zinc/48/60/49/431486049.db2.gz YCSPREUKIPUBNQ-ZIAGYGMSSA-N 2 1 304.409 2.942 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cncnc1OC ZINC000647168844 431488941 /nfs/dbraw/zinc/48/89/41/431488941.db2.gz NVUOPIJXZUAZBS-UHFFFAOYSA-N 2 1 314.433 2.617 20 0 DFADMP CC[C@@H](c1cccc(OC)c1)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660558419 431491780 /nfs/dbraw/zinc/49/17/80/431491780.db2.gz SOPHBUZPSIMOCX-WMZOPIPTSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660558419 431491797 /nfs/dbraw/zinc/49/17/97/431491797.db2.gz SOPHBUZPSIMOCX-WMZOPIPTSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660558419 431491803 /nfs/dbraw/zinc/49/18/03/431491803.db2.gz SOPHBUZPSIMOCX-WMZOPIPTSA-N 2 1 308.466 2.779 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C3CCOCC3)CC23CC3)cc1 ZINC000647173097 431492334 /nfs/dbraw/zinc/49/23/34/431492334.db2.gz WCNPNGQOWNNFRO-GOSISDBHSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C3CCOCC3)CC23CC3)cc1 ZINC000647173097 431492337 /nfs/dbraw/zinc/49/23/37/431492337.db2.gz WCNPNGQOWNNFRO-GOSISDBHSA-N 2 1 300.446 2.952 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](Nc2nc(C)nc(C)c2Br)C1 ZINC000663707016 431506452 /nfs/dbraw/zinc/50/64/52/431506452.db2.gz IDQJMJKZEFWPGH-LDYMZIIASA-N 2 1 313.243 2.608 20 0 DFADMP CCN1C[C@@H](C)[C@H](Nc2nc(C)nc(C)c2Br)C1 ZINC000663707016 431506459 /nfs/dbraw/zinc/50/64/59/431506459.db2.gz IDQJMJKZEFWPGH-LDYMZIIASA-N 2 1 313.243 2.608 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000660613574 431515081 /nfs/dbraw/zinc/51/50/81/431515081.db2.gz OVXGWLUWNHLCAM-KZNAEPCWSA-N 2 1 307.526 2.771 20 0 DFADMP Cc1ccc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)cc1C ZINC000660698148 431556213 /nfs/dbraw/zinc/55/62/13/431556213.db2.gz NCFUHQNDYQMVFP-UHFFFAOYSA-N 2 1 304.478 2.876 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657672 431534137 /nfs/dbraw/zinc/53/41/37/431534137.db2.gz RYKWXPNOWHTDIM-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657672 431534146 /nfs/dbraw/zinc/53/41/46/431534146.db2.gz RYKWXPNOWHTDIM-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657672 431534152 /nfs/dbraw/zinc/53/41/52/431534152.db2.gz RYKWXPNOWHTDIM-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP COc1ccc(COCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660658389 431534498 /nfs/dbraw/zinc/53/44/98/431534498.db2.gz FUPMPRGRRZEKSZ-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660658389 431534501 /nfs/dbraw/zinc/53/45/01/431534501.db2.gz FUPMPRGRRZEKSZ-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660658389 431534504 /nfs/dbraw/zinc/53/45/04/431534504.db2.gz FUPMPRGRRZEKSZ-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660658389 431534509 /nfs/dbraw/zinc/53/45/09/431534509.db2.gz FUPMPRGRRZEKSZ-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661309 431535378 /nfs/dbraw/zinc/53/53/78/431535378.db2.gz CFKZDEFYOGGNJG-NEWSRXKRSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661309 431535388 /nfs/dbraw/zinc/53/53/88/431535388.db2.gz CFKZDEFYOGGNJG-NEWSRXKRSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661309 431535394 /nfs/dbraw/zinc/53/53/94/431535394.db2.gz CFKZDEFYOGGNJG-NEWSRXKRSA-N 2 1 302.462 2.569 20 0 DFADMP Cc1ccc2c(c1)C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C2 ZINC000660657956 431537215 /nfs/dbraw/zinc/53/72/15/431537215.db2.gz RUSIQPWDWNLCQJ-GOSISDBHSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1ccc2c(c1)C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C2 ZINC000660657956 431537220 /nfs/dbraw/zinc/53/72/20/431537220.db2.gz RUSIQPWDWNLCQJ-GOSISDBHSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1ccc2c(c1)C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C2 ZINC000660657956 431537224 /nfs/dbraw/zinc/53/72/24/431537224.db2.gz RUSIQPWDWNLCQJ-GOSISDBHSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1ccc2c(c1)C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C2 ZINC000660657956 431537232 /nfs/dbraw/zinc/53/72/32/431537232.db2.gz RUSIQPWDWNLCQJ-GOSISDBHSA-N 2 1 304.478 2.833 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCCN([C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC000660664171 431538672 /nfs/dbraw/zinc/53/86/72/431538672.db2.gz QIGDAGXZVINDMJ-WOJBJXKFSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCCN([C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000660664171 431538675 /nfs/dbraw/zinc/53/86/75/431538675.db2.gz QIGDAGXZVINDMJ-WOJBJXKFSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCCN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000660664171 431538680 /nfs/dbraw/zinc/53/86/80/431538680.db2.gz QIGDAGXZVINDMJ-WOJBJXKFSA-N 2 1 313.489 2.679 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674558 431545725 /nfs/dbraw/zinc/54/57/25/431545725.db2.gz ANVNSYDBCUIBMM-IBGZPJMESA-N 2 1 301.478 2.725 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660679694 431546865 /nfs/dbraw/zinc/54/68/65/431546865.db2.gz SKCDYCUOCAFEOG-UHFFFAOYSA-N 2 1 317.477 2.547 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H](CC)C(=O)NCc2cccs2)CC1 ZINC000647332591 431551803 /nfs/dbraw/zinc/55/18/03/431551803.db2.gz AWWIJRHIAAPKLG-INIZCTEOSA-N 2 1 323.506 2.607 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)CC[NH2+]C1 ZINC000261964144 280154778 /nfs/dbraw/zinc/15/47/78/280154778.db2.gz HOOLKLQDQGQYHS-RISCZKNCSA-N 2 1 316.371 2.608 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)s2)cn1 ZINC000647482480 431603173 /nfs/dbraw/zinc/60/31/73/431603173.db2.gz IRYRRSVTUNXZTJ-UHFFFAOYSA-N 2 1 316.474 2.865 20 0 DFADMP Cc1cc(C(F)(F)F)cc(NC[C@H]2CCC[N@H+]2CCCO)n1 ZINC000663953192 431603901 /nfs/dbraw/zinc/60/39/01/431603901.db2.gz YDXNUQFZIBLJTM-CYBMUJFWSA-N 2 1 317.355 2.668 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705755 431652371 /nfs/dbraw/zinc/65/23/71/431652371.db2.gz UKTKFFIXKVVKQS-LNLFQRSKSA-N 2 1 318.461 2.804 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707582 431652784 /nfs/dbraw/zinc/65/27/84/431652784.db2.gz IZGYNUHTKWAQHT-IIAWOOMASA-N 2 1 321.490 2.739 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706472 431654054 /nfs/dbraw/zinc/65/40/54/431654054.db2.gz LQHKEOLCBNBRAF-IEZWGBDMSA-N 2 1 318.461 2.722 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706475 431655044 /nfs/dbraw/zinc/65/50/44/431655044.db2.gz LQHKEOLCBNBRAF-WDYCEAGBSA-N 2 1 318.461 2.722 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498310 431605761 /nfs/dbraw/zinc/60/57/61/431605761.db2.gz DXVKSQGEXVRMPY-YOEHRIQHSA-N 2 1 302.397 2.571 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498310 431605766 /nfs/dbraw/zinc/60/57/66/431605766.db2.gz DXVKSQGEXVRMPY-YOEHRIQHSA-N 2 1 302.397 2.571 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnc3c(cnn3C(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498234 431606414 /nfs/dbraw/zinc/60/64/14/431606414.db2.gz CYVAXAGEFAEXKB-ZBFHGGJFSA-N 2 1 301.438 2.571 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498234 431606418 /nfs/dbraw/zinc/60/64/18/431606418.db2.gz CYVAXAGEFAEXKB-ZBFHGGJFSA-N 2 1 301.438 2.571 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)CC[C@H]1[NH3+] ZINC000647497757 431607195 /nfs/dbraw/zinc/60/71/95/431607195.db2.gz UDYAOCBVLVTWGF-MAUKXSAKSA-N 2 1 312.461 2.955 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC[C@H]1[NH3+] ZINC000647498625 431608845 /nfs/dbraw/zinc/60/88/45/431608845.db2.gz LHXBUMYBUSWVKG-OGHNNQOOSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC[C@H]1[NH3+] ZINC000647498625 431608848 /nfs/dbraw/zinc/60/88/48/431608848.db2.gz LHXBUMYBUSWVKG-OGHNNQOOSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2SC)CC[C@@H]1[NH3+] ZINC000647498909 431608976 /nfs/dbraw/zinc/60/89/76/431608976.db2.gz TZXOCHIQLZNSLO-JSGCOSHPSA-N 2 1 324.490 2.985 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2SC)CC[C@@H]1[NH3+] ZINC000647498909 431608980 /nfs/dbraw/zinc/60/89/80/431608980.db2.gz TZXOCHIQLZNSLO-JSGCOSHPSA-N 2 1 324.490 2.985 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647498608 431609922 /nfs/dbraw/zinc/60/99/22/431609922.db2.gz KZKYOIPZHHYKAM-BLLLJJGKSA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000654008547 431618266 /nfs/dbraw/zinc/61/82/66/431618266.db2.gz VZZCAAKAENFJPO-OAHLLOKOSA-N 2 1 321.465 2.678 20 0 DFADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000654008547 431618272 /nfs/dbraw/zinc/61/82/72/431618272.db2.gz VZZCAAKAENFJPO-OAHLLOKOSA-N 2 1 321.465 2.678 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2nc3c(s2)CCC3)C[C@H]1c1ccccc1 ZINC000647536507 431618598 /nfs/dbraw/zinc/61/85/98/431618598.db2.gz YZSSJPXSVOIEKR-CABCVRRESA-N 2 1 313.470 2.806 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc3c(s2)CCC3)C[C@H]1c1ccccc1 ZINC000647536507 431618601 /nfs/dbraw/zinc/61/86/01/431618601.db2.gz YZSSJPXSVOIEKR-CABCVRRESA-N 2 1 313.470 2.806 20 0 DFADMP CCc1noc(C2CCC([NH2+]CC[C@@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000657182649 431620569 /nfs/dbraw/zinc/62/05/69/431620569.db2.gz GICMYPBWOKZTEW-FHERZECASA-N 2 1 320.481 2.980 20 0 DFADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542756 431621534 /nfs/dbraw/zinc/62/15/34/431621534.db2.gz BKZNNZLHYLIWPV-ZIAGYGMSSA-N 2 1 305.491 2.843 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC000647542720 431623317 /nfs/dbraw/zinc/62/33/17/431623317.db2.gz ANVBJMAMMXNFQR-SJORKVTESA-N 2 1 312.461 2.785 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544350 431623522 /nfs/dbraw/zinc/62/35/22/431623522.db2.gz ZEXKGCFCAKFSBH-IAGOWNOFSA-N 2 1 304.482 2.984 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543800 431624306 /nfs/dbraw/zinc/62/43/06/431624306.db2.gz SFEOHLBTTFVLSD-JKSUJKDBSA-N 2 1 318.509 2.757 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545434 431624639 /nfs/dbraw/zinc/62/46/39/431624639.db2.gz HACJLUDKDYDHQE-QGZVFWFLSA-N 2 1 300.446 2.751 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543522 431625523 /nfs/dbraw/zinc/62/55/23/431625523.db2.gz ORXBYXASJZKIII-IAGOWNOFSA-N 2 1 315.461 2.857 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543336 431626189 /nfs/dbraw/zinc/62/61/89/431626189.db2.gz LEKLSIAYWNMVQC-JKSUJKDBSA-N 2 1 312.461 2.785 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)c(F)c1 ZINC000650716543 431661663 /nfs/dbraw/zinc/66/16/63/431661663.db2.gz BLVPKMPFPYDIDM-PKOBYXMFSA-N 2 1 313.420 2.867 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c2c1C ZINC000647708398 431664508 /nfs/dbraw/zinc/66/45/08/431664508.db2.gz KWHHFLQKDYERCG-GJZGRUSLSA-N 2 1 313.449 2.791 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650722455 431665563 /nfs/dbraw/zinc/66/55/63/431665563.db2.gz UGZHDFAIJZPIRA-QGPMSJSTSA-N 2 1 322.424 2.695 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1C ZINC000650724171 431667674 /nfs/dbraw/zinc/66/76/74/431667674.db2.gz ZLFDTOKNPUSSLK-ZHALLVOQSA-N 2 1 318.461 2.864 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnn3c2CCC3)C1 ZINC000657312914 431667936 /nfs/dbraw/zinc/66/79/36/431667936.db2.gz MCYZHWSOXVHYKG-IYBDPMFKSA-N 2 1 304.482 2.677 20 0 DFADMP COCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650724139 431668646 /nfs/dbraw/zinc/66/86/46/431668646.db2.gz YQOOQCVMCPSADF-QRVBRYPASA-N 2 1 318.461 2.694 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657313882 431670564 /nfs/dbraw/zinc/67/05/64/431670564.db2.gz WQIBBFJLZPMKRH-GASCZTMLSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657313882 431670571 /nfs/dbraw/zinc/67/05/71/431670571.db2.gz WQIBBFJLZPMKRH-GASCZTMLSA-N 2 1 304.482 2.755 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000657314259 431671028 /nfs/dbraw/zinc/67/10/28/431671028.db2.gz ZISGCKPEMOJSQK-IPELMVKDSA-N 2 1 318.461 2.817 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000657314259 431671034 /nfs/dbraw/zinc/67/10/34/431671034.db2.gz ZISGCKPEMOJSQK-IPELMVKDSA-N 2 1 318.461 2.817 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657315898 431672927 /nfs/dbraw/zinc/67/29/27/431672927.db2.gz SSPIMQDYZNDYDW-NSHDSACASA-N 2 1 302.340 2.859 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657315898 431672932 /nfs/dbraw/zinc/67/29/32/431672932.db2.gz SSPIMQDYZNDYDW-NSHDSACASA-N 2 1 302.340 2.859 20 0 DFADMP Fc1ccc([C@@H](NCc2cnc3n2CCC3)[C@H]2CCCO2)cc1 ZINC000657334516 431681616 /nfs/dbraw/zinc/68/16/16/431681616.db2.gz CDSRLCJLDYZOIL-SJLPKXTDSA-N 2 1 315.392 2.978 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647786531 431685043 /nfs/dbraw/zinc/68/50/43/431685043.db2.gz RCAZLWBCUBWLAG-GBESFXJTSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647785830 431685482 /nfs/dbraw/zinc/68/54/82/431685482.db2.gz FOLVOBORKSCCOO-IGKNDFSCSA-N 3 1 307.526 2.721 20 0 DFADMP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647785830 431685490 /nfs/dbraw/zinc/68/54/90/431685490.db2.gz FOLVOBORKSCCOO-IGKNDFSCSA-N 2 1 307.526 2.721 20 0 DFADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C2 ZINC000647793993 431689650 /nfs/dbraw/zinc/68/96/50/431689650.db2.gz NZAXGNKUEZEUBO-KCUHQSDYSA-N 2 1 314.473 2.538 20 0 DFADMP Cc1cc(C[N@H+](C)CCC[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000647847367 431706848 /nfs/dbraw/zinc/70/68/48/431706848.db2.gz LSNCOYBJNOESKW-UHFFFAOYSA-N 2 1 304.825 2.886 20 0 DFADMP Cc1cc(C[N@@H+](C)CCC[NH3+])nc(-c2ccc(Cl)cc2)n1 ZINC000647847367 431706855 /nfs/dbraw/zinc/70/68/55/431706855.db2.gz LSNCOYBJNOESKW-UHFFFAOYSA-N 2 1 304.825 2.886 20 0 DFADMP CC1([NH3+])CC[NH+](CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000647924663 431731073 /nfs/dbraw/zinc/73/10/73/431731073.db2.gz AUNIHUVBYDGMLU-UHFFFAOYSA-N 2 1 302.340 2.897 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2C)CC[C@H]1[NH3+] ZINC000647936285 431735595 /nfs/dbraw/zinc/73/55/95/431735595.db2.gz AUWAIHCCACIWGY-UKRRQHHQSA-N 2 1 307.413 2.522 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2SC)CC[C@@H]1[NH3+] ZINC000647938301 431740771 /nfs/dbraw/zinc/74/07/71/431740771.db2.gz JHRVZKJKPXMLSW-KGLIPLIRSA-N 2 1 321.490 2.796 20 0 DFADMP CC[C@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)CC[C@H]1[NH3+] ZINC000647939035 431741497 /nfs/dbraw/zinc/74/14/97/431741497.db2.gz ZNBPCISDJRXONX-GOEBONIOSA-N 2 1 314.433 2.728 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000657427824 431743973 /nfs/dbraw/zinc/74/39/73/431743973.db2.gz USQXGXKLCUBMBO-UHFFFAOYSA-N 2 1 310.239 2.504 20 0 DFADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960384 431750492 /nfs/dbraw/zinc/75/04/92/431750492.db2.gz WCQABINCEMSYII-DOTOQJQBSA-N 2 1 308.466 2.779 20 0 DFADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960384 431750495 /nfs/dbraw/zinc/75/04/95/431750495.db2.gz WCQABINCEMSYII-DOTOQJQBSA-N 2 1 308.466 2.779 20 0 DFADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960384 431750499 /nfs/dbraw/zinc/75/04/99/431750499.db2.gz WCQABINCEMSYII-DOTOQJQBSA-N 2 1 308.466 2.779 20 0 DFADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960384 431750503 /nfs/dbraw/zinc/75/05/03/431750503.db2.gz WCQABINCEMSYII-DOTOQJQBSA-N 2 1 308.466 2.779 20 0 DFADMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960386 431751732 /nfs/dbraw/zinc/75/17/32/431751732.db2.gz WCQABINCEMSYII-RDJZCZTQSA-N 2 1 308.466 2.779 20 0 DFADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960386 431751736 /nfs/dbraw/zinc/75/17/36/431751736.db2.gz WCQABINCEMSYII-RDJZCZTQSA-N 2 1 308.466 2.779 20 0 DFADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960386 431751740 /nfs/dbraw/zinc/75/17/40/431751740.db2.gz WCQABINCEMSYII-RDJZCZTQSA-N 2 1 308.466 2.779 20 0 DFADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)c1cccc(OC)c1 ZINC000647960386 431751747 /nfs/dbraw/zinc/75/17/47/431751747.db2.gz WCQABINCEMSYII-RDJZCZTQSA-N 2 1 308.466 2.779 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCC[C@H](O)C3)C2)[nH+]1 ZINC000647964765 431754064 /nfs/dbraw/zinc/75/40/64/431754064.db2.gz ZXAHGSMJHALMBX-ULQDDVLXSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC[C@H](O)C3)C2)[nH+]1 ZINC000647964765 431754065 /nfs/dbraw/zinc/75/40/65/431754065.db2.gz ZXAHGSMJHALMBX-ULQDDVLXSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647964002 431757372 /nfs/dbraw/zinc/75/73/72/431757372.db2.gz MIARARXXYSDPPC-RBUKOAKNSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647964002 431757377 /nfs/dbraw/zinc/75/73/77/431757377.db2.gz MIARARXXYSDPPC-RBUKOAKNSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647964002 431757380 /nfs/dbraw/zinc/75/73/80/431757380.db2.gz MIARARXXYSDPPC-RBUKOAKNSA-N 2 1 304.478 2.703 20 0 DFADMP Fc1c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cccc1OC1CC1 ZINC000657450853 431759670 /nfs/dbraw/zinc/75/96/70/431759670.db2.gz XTZKQBZKFDTYRZ-ZDUSSCGKSA-N 2 1 315.392 2.916 20 0 DFADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975796 431761688 /nfs/dbraw/zinc/76/16/88/431761688.db2.gz GAMPMTFGFZEAHY-ZNMIVQPWSA-N 2 1 306.454 2.966 20 0 DFADMP c1coc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975839 431762085 /nfs/dbraw/zinc/76/20/85/431762085.db2.gz GPCQAMIODCIOKO-ZIAGYGMSSA-N 2 1 316.405 2.541 20 0 DFADMP Fc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977102 431762195 /nfs/dbraw/zinc/76/21/95/431762195.db2.gz XVDVSIRFKHEDRX-HZPDHXFCSA-N 2 1 306.425 2.916 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)co1 ZINC000647977776 431762854 /nfs/dbraw/zinc/76/28/54/431762854.db2.gz HMLKRPKHDQWCAD-ZIAGYGMSSA-N 2 1 316.405 2.541 20 0 DFADMP C[NH+](C)CCC[N@H+](C)CCNc1nccc2cc(F)ccc21 ZINC000664246357 431716262 /nfs/dbraw/zinc/71/62/62/431716262.db2.gz YRVJLXIOCFLHFS-UHFFFAOYSA-N 2 1 304.413 2.669 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CCNc1nccc2cc(F)ccc21 ZINC000664246357 431716267 /nfs/dbraw/zinc/71/62/67/431716267.db2.gz YRVJLXIOCFLHFS-UHFFFAOYSA-N 2 1 304.413 2.669 20 0 DFADMP c1cc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000647884414 431717703 /nfs/dbraw/zinc/71/77/03/431717703.db2.gz MNSITIOCDKWRAK-INIZCTEOSA-N 2 1 300.446 2.976 20 0 DFADMP CC(C)n1ccnc1CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000657500269 431788350 /nfs/dbraw/zinc/78/83/50/431788350.db2.gz MNNDRTOIKMXUQL-MSOLQXFVSA-N 2 1 312.461 2.899 20 0 DFADMP CC(C)Cn1nccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000648035747 431794497 /nfs/dbraw/zinc/79/44/97/431794497.db2.gz OIPOVLFGNZZMHH-QGZVFWFLSA-N 2 1 304.482 2.703 20 0 DFADMP COC[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000657552161 431806220 /nfs/dbraw/zinc/80/62/20/431806220.db2.gz BMNOSUUKKGJFDP-NEWSRXKRSA-N 2 1 320.477 2.681 20 0 DFADMP COC[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000657552161 431806223 /nfs/dbraw/zinc/80/62/23/431806223.db2.gz BMNOSUUKKGJFDP-NEWSRXKRSA-N 2 1 320.477 2.681 20 0 DFADMP C/C(=C\c1ccccc1)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071470 431809106 /nfs/dbraw/zinc/80/91/06/431809106.db2.gz DLTNRBNLVXLLNF-SAPNQHFASA-N 2 1 300.446 2.887 20 0 DFADMP C/C(=C\c1ccccc1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071470 431809113 /nfs/dbraw/zinc/80/91/13/431809113.db2.gz DLTNRBNLVXLLNF-SAPNQHFASA-N 2 1 300.446 2.887 20 0 DFADMP COc1ccc([C@H](C)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648072012 431809215 /nfs/dbraw/zinc/80/92/15/431809215.db2.gz GTUCVHXPFGTSCM-MRXNPFEDSA-N 2 1 318.461 2.595 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000647990872 431766115 /nfs/dbraw/zinc/76/61/15/431766115.db2.gz RCJAJOHVIFMHDF-HKUYNNGSSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000647990872 431766119 /nfs/dbraw/zinc/76/61/19/431766119.db2.gz RCJAJOHVIFMHDF-HKUYNNGSSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000647990872 431766123 /nfs/dbraw/zinc/76/61/23/431766123.db2.gz RCJAJOHVIFMHDF-HKUYNNGSSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000647990872 431766128 /nfs/dbraw/zinc/76/61/28/431766128.db2.gz RCJAJOHVIFMHDF-HKUYNNGSSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H]2[C@@H](CCCN2C2CC2)C1 ZINC000647990872 431766131 /nfs/dbraw/zinc/76/61/31/431766131.db2.gz RCJAJOHVIFMHDF-HKUYNNGSSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000647990872 431766135 /nfs/dbraw/zinc/76/61/35/431766135.db2.gz RCJAJOHVIFMHDF-HKUYNNGSSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000647990872 431766137 /nfs/dbraw/zinc/76/61/37/431766137.db2.gz RCJAJOHVIFMHDF-HKUYNNGSSA-N 2 1 305.510 2.715 20 0 DFADMP COc1cccc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647988450 431766365 /nfs/dbraw/zinc/76/63/65/431766365.db2.gz KXJHBNOPLHQFHG-IBGZPJMESA-N 2 1 318.461 2.848 20 0 DFADMP COc1cccc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647988450 431766370 /nfs/dbraw/zinc/76/63/70/431766370.db2.gz KXJHBNOPLHQFHG-IBGZPJMESA-N 2 1 318.461 2.848 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657491855 431783398 /nfs/dbraw/zinc/78/33/98/431783398.db2.gz LJZRKXSMMDZQHX-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)C1 ZINC000657595219 431820676 /nfs/dbraw/zinc/82/06/76/431820676.db2.gz NEXYQTJSJOOWEM-OAHLLOKOSA-N 2 1 320.820 2.789 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)C1 ZINC000657595219 431820682 /nfs/dbraw/zinc/82/06/82/431820682.db2.gz NEXYQTJSJOOWEM-OAHLLOKOSA-N 2 1 320.820 2.789 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000657609876 431825101 /nfs/dbraw/zinc/82/51/01/431825101.db2.gz LAHYAQVTCOMYFA-WGSAOQKQSA-N 2 1 302.462 2.851 20 0 DFADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128266442 281270059 /nfs/dbraw/zinc/27/00/59/281270059.db2.gz UIKPIPCDUUZFKP-IBGZPJMESA-N 2 1 301.478 2.600 20 0 DFADMP Cc1ccccc1C1(O)CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000364052214 281335858 /nfs/dbraw/zinc/33/58/58/281335858.db2.gz BCTQHTJLPIHFIV-KRWDZBQOSA-N 2 1 302.462 2.763 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000363335387 289079127 /nfs/dbraw/zinc/07/91/27/289079127.db2.gz PLIKQSNIZUPAQK-RHSMWYFYSA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363335387 289079128 /nfs/dbraw/zinc/07/91/28/289079128.db2.gz PLIKQSNIZUPAQK-RHSMWYFYSA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000363335387 289079130 /nfs/dbraw/zinc/07/91/30/289079130.db2.gz PLIKQSNIZUPAQK-RHSMWYFYSA-N 2 1 323.506 2.587 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158595282 289323806 /nfs/dbraw/zinc/32/38/06/289323806.db2.gz HGZYOWSKSBUTLL-DUQPFJRNSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158595282 289323808 /nfs/dbraw/zinc/32/38/08/289323808.db2.gz HGZYOWSKSBUTLL-DUQPFJRNSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158595282 289323810 /nfs/dbraw/zinc/32/38/10/289323810.db2.gz HGZYOWSKSBUTLL-DUQPFJRNSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158595282 289323811 /nfs/dbraw/zinc/32/38/11/289323811.db2.gz HGZYOWSKSBUTLL-DUQPFJRNSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1OCCc2sccc21 ZINC000368144927 290019536 /nfs/dbraw/zinc/01/95/36/290019536.db2.gz XLBKOGRKWVBBJQ-ZOMKSWQUSA-N 2 1 306.475 2.967 20 0 DFADMP C[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973982 297009152 /nfs/dbraw/zinc/00/91/52/297009152.db2.gz CNCVYPUKMCFLGX-ZJPYXAASSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973982 297009153 /nfs/dbraw/zinc/00/91/53/297009153.db2.gz CNCVYPUKMCFLGX-ZJPYXAASSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973982 297009154 /nfs/dbraw/zinc/00/91/54/297009154.db2.gz CNCVYPUKMCFLGX-ZJPYXAASSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973982 297009155 /nfs/dbraw/zinc/00/91/55/297009155.db2.gz CNCVYPUKMCFLGX-ZJPYXAASSA-N 2 1 310.482 2.519 20 0 DFADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000437862586 297072320 /nfs/dbraw/zinc/07/23/20/297072320.db2.gz YBQIOQLTOYAEEQ-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000437862586 297072322 /nfs/dbraw/zinc/07/23/22/297072322.db2.gz YBQIOQLTOYAEEQ-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000437862586 297072324 /nfs/dbraw/zinc/07/23/24/297072324.db2.gz YBQIOQLTOYAEEQ-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261990435 295179480 /nfs/dbraw/zinc/17/94/80/295179480.db2.gz KEORQTYTBAMHJS-WMZOPIPTSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261990435 295179481 /nfs/dbraw/zinc/17/94/81/295179481.db2.gz KEORQTYTBAMHJS-WMZOPIPTSA-N 2 1 304.434 2.840 20 0 DFADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154356876 295298241 /nfs/dbraw/zinc/29/82/41/295298241.db2.gz VWMZISHDFFAICG-SJORKVTESA-N 2 1 312.885 2.809 20 0 DFADMP COc1cccc(OCC[N@H+]2CC[C@H](Oc3ccncc3)C2)c1 ZINC000155930936 295328344 /nfs/dbraw/zinc/32/83/44/295328344.db2.gz DYZYFPCFAPDTIL-SFHVURJKSA-N 2 1 314.385 2.622 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC(F)F ZINC000156059045 295330370 /nfs/dbraw/zinc/33/03/70/295330370.db2.gz WOWBTJSESJPDMN-JQWIXIFHSA-N 2 1 300.349 2.608 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)cc1OC(F)F ZINC000156059045 295330373 /nfs/dbraw/zinc/33/03/73/295330373.db2.gz WOWBTJSESJPDMN-JQWIXIFHSA-N 2 1 300.349 2.608 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000158224852 295360255 /nfs/dbraw/zinc/36/02/55/295360255.db2.gz WFNNROHKJHNQCG-SJLPKXTDSA-N 2 1 312.461 2.924 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000158224852 295360258 /nfs/dbraw/zinc/36/02/58/295360258.db2.gz WFNNROHKJHNQCG-SJLPKXTDSA-N 2 1 312.461 2.924 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1NC(C)=O ZINC000158217422 295360384 /nfs/dbraw/zinc/36/03/84/295360384.db2.gz SLPIWHPDRJSDDO-HIFRSBDPSA-N 2 1 319.449 2.646 20 0 DFADMP Clc1ccc(Br)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398382448 295490366 /nfs/dbraw/zinc/49/03/66/295490366.db2.gz WDSAAAQVJXBBCZ-SECBINFHSA-N 2 1 303.631 2.802 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000438838122 297104758 /nfs/dbraw/zinc/10/47/58/297104758.db2.gz DMSBNXTXOHQREP-CKUJCDMFSA-N 2 1 304.438 2.621 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000438838122 297104759 /nfs/dbraw/zinc/10/47/59/297104759.db2.gz DMSBNXTXOHQREP-CKUJCDMFSA-N 2 1 304.438 2.621 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000439085747 297114383 /nfs/dbraw/zinc/11/43/83/297114383.db2.gz KOYTYHGCNMRDAM-CHWSQXEVSA-N 2 1 307.438 2.644 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439831012 297139758 /nfs/dbraw/zinc/13/97/58/297139758.db2.gz BKTRQRJBHQVFQI-JFIYKMOQSA-N 2 1 321.509 2.773 20 0 DFADMP CC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000439942684 297141005 /nfs/dbraw/zinc/14/10/05/297141005.db2.gz MBDSYTZLYCSQSJ-DLBZAZTESA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000439942684 297141008 /nfs/dbraw/zinc/14/10/08/297141008.db2.gz MBDSYTZLYCSQSJ-DLBZAZTESA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000440255208 297148824 /nfs/dbraw/zinc/14/88/24/297148824.db2.gz MVLWNKCSHKPPLH-YYIAUSFCSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440255208 297148825 /nfs/dbraw/zinc/14/88/25/297148825.db2.gz MVLWNKCSHKPPLH-YYIAUSFCSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440255208 297148826 /nfs/dbraw/zinc/14/88/26/297148826.db2.gz MVLWNKCSHKPPLH-YYIAUSFCSA-N 2 1 309.498 2.581 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442753948 297204169 /nfs/dbraw/zinc/20/41/69/297204169.db2.gz AIULSIQDSOZKHT-CUSZFKRNSA-N 2 1 317.477 2.702 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442753948 297204172 /nfs/dbraw/zinc/20/41/72/297204172.db2.gz AIULSIQDSOZKHT-CUSZFKRNSA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000442783133 297205783 /nfs/dbraw/zinc/20/57/83/297205783.db2.gz SLWYYCXYNAJVJF-JKSUJKDBSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000442783133 297205784 /nfs/dbraw/zinc/20/57/84/297205784.db2.gz SLWYYCXYNAJVJF-JKSUJKDBSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(s1)CCC2 ZINC000442877006 297209239 /nfs/dbraw/zinc/20/92/39/297209239.db2.gz QLJLPXDDWVEUMU-CQSZACIVSA-N 2 1 321.534 2.913 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922590 297211301 /nfs/dbraw/zinc/21/13/01/297211301.db2.gz PCHNIHYEHZMNQK-GFCCVEGCSA-N 2 1 306.841 2.788 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000443056114 297213479 /nfs/dbraw/zinc/21/34/79/297213479.db2.gz CBAOEPJWHBOYRS-UONOGXRCSA-N 2 1 307.413 2.522 20 0 DFADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443056538 297214063 /nfs/dbraw/zinc/21/40/63/297214063.db2.gz CWAFHYYLUJZBLR-ZBFHGGJFSA-N 2 1 303.450 2.637 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443062689 297214349 /nfs/dbraw/zinc/21/43/49/297214349.db2.gz UZXKYCUBZUIFBG-IAGOWNOFSA-N 2 1 317.477 3.000 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065975 297214721 /nfs/dbraw/zinc/21/47/21/297214721.db2.gz DCBSJTXFBOGJPP-QWHCGFSZSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064932 297214986 /nfs/dbraw/zinc/21/49/86/297214986.db2.gz ZCBJPWBGJPETGH-GOEBONIOSA-N 2 1 314.433 2.782 20 0 DFADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443076495 297215157 /nfs/dbraw/zinc/21/51/57/297215157.db2.gz SKRVUMVEIBGFTN-HNNXBMFYSA-N 2 1 317.477 2.811 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075134 297215305 /nfs/dbraw/zinc/21/53/05/297215305.db2.gz QYPCDGYSZJWZHV-BBRMVZONSA-N 2 1 321.852 2.506 20 0 DFADMP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1C1CCCCC1 ZINC000443095470 297215832 /nfs/dbraw/zinc/21/58/32/297215832.db2.gz RBWBEZJTFGXLRU-BPQIPLTHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1C1CCCCC1 ZINC000443095470 297215834 /nfs/dbraw/zinc/21/58/34/297215834.db2.gz RBWBEZJTFGXLRU-BPQIPLTHSA-N 2 1 319.493 2.527 20 0 DFADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC[NH2+]1)C1CCCCC1 ZINC000444189420 297232443 /nfs/dbraw/zinc/23/24/43/297232443.db2.gz CXTXBYWJYMGNCZ-QGZVFWFLSA-N 2 1 301.434 2.752 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000444227169 297233758 /nfs/dbraw/zinc/23/37/58/297233758.db2.gz OOIGIPGJYUOMAR-HIFRSBDPSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000444227169 297233760 /nfs/dbraw/zinc/23/37/60/297233760.db2.gz OOIGIPGJYUOMAR-HIFRSBDPSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000444227169 297233761 /nfs/dbraw/zinc/23/37/61/297233761.db2.gz OOIGIPGJYUOMAR-HIFRSBDPSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000444227169 297233762 /nfs/dbraw/zinc/23/37/62/297233762.db2.gz OOIGIPGJYUOMAR-HIFRSBDPSA-N 2 1 321.440 2.877 20 0 DFADMP CN(C)C(=O)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000444615173 297241600 /nfs/dbraw/zinc/24/16/00/297241600.db2.gz YPAFXBRHBICAEP-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000446819444 297287382 /nfs/dbraw/zinc/28/73/82/297287382.db2.gz XWCVLUVDIOQIFX-ROUUACIJSA-N 2 1 308.441 2.959 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)c(C)o1 ZINC000447572498 297308854 /nfs/dbraw/zinc/30/88/54/297308854.db2.gz CGMNZKIVDMMLFN-VHSSKADRSA-N 2 1 306.450 2.925 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000447736635 297314985 /nfs/dbraw/zinc/31/49/85/297314985.db2.gz OANNERPSCWQLAY-IAGOWNOFSA-N 2 1 304.478 2.957 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448078625 297331903 /nfs/dbraw/zinc/33/19/03/297331903.db2.gz VAFQURRTGIOZBT-PKOBYXMFSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448078625 297331905 /nfs/dbraw/zinc/33/19/05/297331905.db2.gz VAFQURRTGIOZBT-PKOBYXMFSA-N 2 1 314.473 2.792 20 0 DFADMP C[C@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552084 297342179 /nfs/dbraw/zinc/34/21/79/297342179.db2.gz LIAYEMRYGMQETQ-IBGZPJMESA-N 2 1 315.505 2.926 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000449039563 297395686 /nfs/dbraw/zinc/39/56/86/297395686.db2.gz ZWEBUHBHTZCUHM-INIZCTEOSA-N 2 1 317.433 2.761 20 0 DFADMP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1F ZINC000449044954 297396705 /nfs/dbraw/zinc/39/67/05/297396705.db2.gz GCFJWAKANXWANP-IXDOHACOSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1F ZINC000449044954 297396707 /nfs/dbraw/zinc/39/67/07/297396707.db2.gz GCFJWAKANXWANP-IXDOHACOSA-N 2 1 306.425 2.818 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000449109989 297406770 /nfs/dbraw/zinc/40/67/70/297406770.db2.gz ZYMVYFBOLQMZJU-OAHLLOKOSA-N 2 1 309.498 2.534 20 0 DFADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000449179298 297418560 /nfs/dbraw/zinc/41/85/60/297418560.db2.gz VKIHHASTJJMZCP-JKSUJKDBSA-N 2 1 307.486 2.597 20 0 DFADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000453053981 298057636 /nfs/dbraw/zinc/05/76/36/298057636.db2.gz BFOVALDXQRZIIH-IAGOWNOFSA-N 2 1 312.498 2.815 20 0 DFADMP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453118965 298064121 /nfs/dbraw/zinc/06/41/21/298064121.db2.gz VOCAYZJVHHXCHS-RCCFBDPRSA-N 2 1 302.462 2.790 20 0 DFADMP OCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453212324 298071285 /nfs/dbraw/zinc/07/12/85/298071285.db2.gz HVQXQWXZMNPDKU-GUDVDZBRSA-N 2 1 302.462 2.792 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ncccc2C)[C@H](C)C1 ZINC000453306799 298082296 /nfs/dbraw/zinc/08/22/96/298082296.db2.gz JFTKTEZJBNBLOH-IEBWSBKVSA-N 2 1 319.493 2.659 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H](C)C1 ZINC000453381875 298088868 /nfs/dbraw/zinc/08/88/68/298088868.db2.gz XXTYZKMGGSTHDX-HZPDHXFCSA-N 2 1 314.514 2.510 20 0 DFADMP O[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000453389505 298089337 /nfs/dbraw/zinc/08/93/37/298089337.db2.gz RKDZAJIEBFIQOG-IYWMVGAKSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)O1 ZINC000453408857 298091274 /nfs/dbraw/zinc/09/12/74/298091274.db2.gz NWLICKYGSKNJFE-HNAYVOBHSA-N 2 1 320.452 2.990 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453439153 298095823 /nfs/dbraw/zinc/09/58/23/298095823.db2.gz VWAKJFRWCRNQEN-PKOBYXMFSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000121976976 298152904 /nfs/dbraw/zinc/15/29/04/298152904.db2.gz QBPHECZQDSFGSZ-WCXIOVBPSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000121976976 298152906 /nfs/dbraw/zinc/15/29/06/298152906.db2.gz QBPHECZQDSFGSZ-WCXIOVBPSA-N 2 1 309.498 2.628 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455625434 298391083 /nfs/dbraw/zinc/39/10/83/298391083.db2.gz NSRJIYYJSJJXHL-AWEZNQCLSA-N 2 1 317.437 2.885 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455625434 298391085 /nfs/dbraw/zinc/39/10/85/298391085.db2.gz NSRJIYYJSJJXHL-AWEZNQCLSA-N 2 1 317.437 2.885 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC(C)(C)CCC[NH+](C)C ZINC000456178097 298465777 /nfs/dbraw/zinc/46/57/77/298465777.db2.gz ZNIWKIXNVKJZRV-UHFFFAOYSA-N 2 1 308.470 2.633 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)Cn2cc[nH+]c2C)CC1 ZINC000457700460 298779709 /nfs/dbraw/zinc/77/97/09/298779709.db2.gz PMEOZUOTGZIXTM-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP CC(C)(C)OC(=O)NC1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000496175948 300025844 /nfs/dbraw/zinc/02/58/44/300025844.db2.gz ZLUPNSBPRALHRC-UHFFFAOYSA-N 2 1 311.470 2.508 20 0 DFADMP CCC(CC)[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000496258176 300037364 /nfs/dbraw/zinc/03/73/64/300037364.db2.gz XFEKYLPFUOXVQT-SFHVURJKSA-N 2 1 321.465 2.514 20 0 DFADMP CCCC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H](C)CC ZINC000496385549 300055768 /nfs/dbraw/zinc/05/57/68/300055768.db2.gz UDJXEUKWZVICPX-MAUKXSAKSA-N 2 1 323.481 2.761 20 0 DFADMP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)[N@H+]1CCn1ccnc1 ZINC000496528362 300076022 /nfs/dbraw/zinc/07/60/22/300076022.db2.gz QCDBTRTZMNKXCK-RBSFLKMASA-N 2 1 322.453 2.601 20 0 DFADMP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@@H](C)N1CCn1ccnc1 ZINC000496528362 300076023 /nfs/dbraw/zinc/07/60/23/300076023.db2.gz QCDBTRTZMNKXCK-RBSFLKMASA-N 2 1 322.453 2.601 20 0 DFADMP CCOC(=O)N[C@H](C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)CC(C)C ZINC000496831489 300120643 /nfs/dbraw/zinc/12/06/43/300120643.db2.gz WQDQHUULJWFEGG-JQFCIGGWSA-N 2 1 319.449 2.882 20 0 DFADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)CC(C)C ZINC000496831488 300120652 /nfs/dbraw/zinc/12/06/52/300120652.db2.gz WQDQHUULJWFEGG-IAOVAPTHSA-N 2 1 319.449 2.882 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497047275 300152275 /nfs/dbraw/zinc/15/22/75/300152275.db2.gz QUWWCYREUSNCAS-QGZVFWFLSA-N 2 1 319.449 2.569 20 0 DFADMP CCC[N@H+](C)C[C@H]1CCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000498654148 300198064 /nfs/dbraw/zinc/19/80/64/300198064.db2.gz HEUYSYPDSUWOCS-MRXNPFEDSA-N 2 1 317.481 2.635 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000498654148 300198067 /nfs/dbraw/zinc/19/80/67/300198067.db2.gz HEUYSYPDSUWOCS-MRXNPFEDSA-N 2 1 317.481 2.635 20 0 DFADMP [NH3+][C@@H](CCC(=O)N1CC[NH2+]Cc2ccccc21)c1ccccc1 ZINC000514663126 300265033 /nfs/dbraw/zinc/26/50/33/300265033.db2.gz VABVUIPUYJLBTD-KRWDZBQOSA-N 2 1 309.413 2.603 20 0 DFADMP Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000514730199 300268655 /nfs/dbraw/zinc/26/86/55/300268655.db2.gz QJJIWXSMXQTGFC-IBGZPJMESA-N 2 1 310.445 2.793 20 0 DFADMP C[C@H]1CC[N@@H+](CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515062653 300288343 /nfs/dbraw/zinc/28/83/43/300288343.db2.gz KGEPKMCCISGBSM-RDJZCZTQSA-N 2 1 309.498 2.522 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000516472467 300343575 /nfs/dbraw/zinc/34/35/75/300343575.db2.gz AZJMTGNWSTTYNS-UHFFFAOYSA-N 2 1 312.417 2.681 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000517245289 300390529 /nfs/dbraw/zinc/39/05/29/300390529.db2.gz WDBQJGXWEPIRPN-INIZCTEOSA-N 2 1 315.461 2.605 20 0 DFADMP Cc1ncc(CN[C@H](c2ccc(F)cc2)[C@@H]2CCCO2)n1C ZINC000517395876 300395675 /nfs/dbraw/zinc/39/56/75/300395675.db2.gz TXQNWNQBBYKJGY-DLBZAZTESA-N 2 1 303.381 2.878 20 0 DFADMP C[C@H]1CCC[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000525024670 300591284 /nfs/dbraw/zinc/59/12/84/300591284.db2.gz YVOMXPRAZVAMKX-LSDHHAIUSA-N 2 1 316.449 2.598 20 0 DFADMP Fc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(F)cc1Br ZINC000530217238 301030415 /nfs/dbraw/zinc/03/04/15/301030415.db2.gz AKCSQLLOGBKZES-SNVBAGLBSA-N 2 1 319.193 2.959 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000530222988 301031455 /nfs/dbraw/zinc/03/14/55/301031455.db2.gz IYADKHUHSANPGP-QAPCUYQASA-N 2 1 320.452 2.847 20 0 DFADMP C[NH+]1CCC([NH2+]CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000530230080 301032325 /nfs/dbraw/zinc/03/23/25/301032325.db2.gz OPQMQPBRFUPCPA-UHFFFAOYSA-N 2 1 302.462 2.759 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)c(C)c1 ZINC000530460409 301049741 /nfs/dbraw/zinc/04/97/41/301049741.db2.gz SGESHGZQVMRAHM-OAHLLOKOSA-N 2 1 314.433 2.586 20 0 DFADMP CCc1cccc(NC(=O)CN(C)[C@@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000530662795 301061958 /nfs/dbraw/zinc/06/19/58/301061958.db2.gz CBHZMYBCXMNCOU-CRAIPNDOSA-N 2 1 317.477 2.992 20 0 DFADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000531704267 301104773 /nfs/dbraw/zinc/10/47/73/301104773.db2.gz OEDGKSDCIFOWTG-KRWDZBQOSA-N 2 1 319.493 2.682 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728253 301106878 /nfs/dbraw/zinc/10/68/78/301106878.db2.gz KMOOMZDTRPFIOR-QWFCFKBJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728253 301106880 /nfs/dbraw/zinc/10/68/80/301106880.db2.gz KMOOMZDTRPFIOR-QWFCFKBJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728253 301106882 /nfs/dbraw/zinc/10/68/82/301106882.db2.gz KMOOMZDTRPFIOR-QWFCFKBJSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCCC(C)(C)C)CC1 ZINC000531900669 301118077 /nfs/dbraw/zinc/11/80/77/301118077.db2.gz PLLPWJDZKXXLMU-UHFFFAOYSA-N 2 1 311.514 2.591 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000532192679 301136148 /nfs/dbraw/zinc/13/61/48/301136148.db2.gz ZRMLMWCDOQWQNJ-WMLDXEAASA-N 2 1 303.450 2.855 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000532192679 301136152 /nfs/dbraw/zinc/13/61/52/301136152.db2.gz ZRMLMWCDOQWQNJ-WMLDXEAASA-N 2 1 303.450 2.855 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532208297 301136417 /nfs/dbraw/zinc/13/64/17/301136417.db2.gz FYSLQHJUHMHHLQ-QGZVFWFLSA-N 2 1 308.853 2.764 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1 ZINC000532215497 301137013 /nfs/dbraw/zinc/13/70/13/301137013.db2.gz ZYTGSSCHXQGTIT-GOSISDBHSA-N 2 1 321.896 2.945 20 0 DFADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532230464 301138696 /nfs/dbraw/zinc/13/86/96/301138696.db2.gz XKQHZLWQTCSXFM-CEXWTWQISA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532230464 301138699 /nfs/dbraw/zinc/13/86/99/301138699.db2.gz XKQHZLWQTCSXFM-CEXWTWQISA-N 2 1 302.462 2.792 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000533581926 301209109 /nfs/dbraw/zinc/20/91/09/301209109.db2.gz DDSRGDPTDCLSGA-VQIMIIECSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000533581926 301209111 /nfs/dbraw/zinc/20/91/11/301209111.db2.gz DDSRGDPTDCLSGA-VQIMIIECSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315751 301227471 /nfs/dbraw/zinc/22/74/71/301227471.db2.gz VEQNCOBPPAHTKY-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315751 301227472 /nfs/dbraw/zinc/22/74/72/301227472.db2.gz VEQNCOBPPAHTKY-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315751 301227473 /nfs/dbraw/zinc/22/74/73/301227473.db2.gz VEQNCOBPPAHTKY-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1Br ZINC000535047678 301245287 /nfs/dbraw/zinc/24/52/87/301245287.db2.gz WGTPQPDKCHMMEE-UHFFFAOYSA-N 2 1 313.239 2.643 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(Cc2ccsc2)CC1 ZINC000535052955 301245808 /nfs/dbraw/zinc/24/58/08/301245808.db2.gz OVMKSORARSHWPT-UHFFFAOYSA-N 2 1 318.490 2.851 20 0 DFADMP CC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536857492 301291683 /nfs/dbraw/zinc/29/16/83/301291683.db2.gz LPNYYEYFIQENNN-SOLBZPMBSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000537237864 301296906 /nfs/dbraw/zinc/29/69/06/301296906.db2.gz UCSKTUFANRVGNI-NVXWUHKLSA-N 2 1 305.466 2.520 20 0 DFADMP C[N@H+]1CC[C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)[C@@H]2C1 ZINC000540918968 301375125 /nfs/dbraw/zinc/37/51/25/301375125.db2.gz XPDNQAZPORXVRB-SJLPKXTDSA-N 2 1 308.429 2.670 20 0 DFADMP CC(C)[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000541849723 301398755 /nfs/dbraw/zinc/39/87/55/301398755.db2.gz HQXFDTWMFBIDGC-SFHVURJKSA-N 2 1 322.472 2.535 20 0 DFADMP C[C@H](CC(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548123408 301567837 /nfs/dbraw/zinc/56/78/37/301567837.db2.gz RSNORXCJHXCUBS-CQSZACIVSA-N 2 1 318.465 2.844 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)[C@@H]1C ZINC000562340490 301962765 /nfs/dbraw/zinc/96/27/65/301962765.db2.gz UOIFJPTXWIMLRU-WCVJEAGWSA-N 2 1 307.507 2.671 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000562955976 302017633 /nfs/dbraw/zinc/01/76/33/302017633.db2.gz RCNVPJUAVIAEOI-ZACQAIPSSA-N 2 1 304.482 2.944 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1 ZINC000563349375 302065086 /nfs/dbraw/zinc/06/50/86/302065086.db2.gz HQFCSDJEKDSRML-CRAIPNDOSA-N 2 1 317.477 2.870 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000563492004 302076809 /nfs/dbraw/zinc/07/68/09/302076809.db2.gz CJOWTQBCWDYXPB-TWMKSMIVSA-N 2 1 309.498 2.581 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000563492004 302076812 /nfs/dbraw/zinc/07/68/12/302076812.db2.gz CJOWTQBCWDYXPB-TWMKSMIVSA-N 2 1 309.498 2.581 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000563492004 302076814 /nfs/dbraw/zinc/07/68/14/302076814.db2.gz CJOWTQBCWDYXPB-TWMKSMIVSA-N 2 1 309.498 2.581 20 0 DFADMP c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)[nH]2)cc1 ZINC000563670165 302091499 /nfs/dbraw/zinc/09/14/99/302091499.db2.gz LXRUMGCBGOGBCI-HOCLYGCPSA-N 2 1 311.433 2.608 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000563961215 302112542 /nfs/dbraw/zinc/11/25/42/302112542.db2.gz XMTOBSNLPFCVBI-RYQLBKOJSA-N 2 1 317.477 2.798 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(-n2ccnc2)c1 ZINC000564219753 302124405 /nfs/dbraw/zinc/12/44/05/302124405.db2.gz BWIURSPPMIYWJJ-OAHLLOKOSA-N 2 1 309.417 2.889 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000564344373 302130397 /nfs/dbraw/zinc/13/03/97/302130397.db2.gz QAGGACSIMRTPBG-QGZVFWFLSA-N 2 1 310.869 2.832 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000564344373 302130401 /nfs/dbraw/zinc/13/04/01/302130401.db2.gz QAGGACSIMRTPBG-QGZVFWFLSA-N 2 1 310.869 2.832 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CC/C=C\c2cncc(OC)c2)CC1 ZINC000564896709 302170476 /nfs/dbraw/zinc/17/04/76/302170476.db2.gz PPNMAVXCORQRJU-ALCCZGGFSA-N 2 1 303.450 2.910 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CC/C=C\c2cncc(OC)c2)CC1 ZINC000564896709 302170478 /nfs/dbraw/zinc/17/04/78/302170478.db2.gz PPNMAVXCORQRJU-ALCCZGGFSA-N 2 1 303.450 2.910 20 0 DFADMP [NH3+][C@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)C1CCC1 ZINC000564936102 302175366 /nfs/dbraw/zinc/17/53/66/302175366.db2.gz KECKFSYFKWEFCD-AWEZNQCLSA-N 2 1 322.478 2.585 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000564973459 302178433 /nfs/dbraw/zinc/17/84/33/302178433.db2.gz DRMIWYRXYXQCED-LJQANCHMSA-N 2 1 310.445 2.961 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)c2ccccn21 ZINC000565083371 302192525 /nfs/dbraw/zinc/19/25/25/302192525.db2.gz NGZHZAWMFHAUGU-QAPCUYQASA-N 2 1 312.461 2.984 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565157737 302198466 /nfs/dbraw/zinc/19/84/66/302198466.db2.gz QXVUIGUJISCPPD-LJQANCHMSA-N 2 1 313.445 2.725 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000565157737 302198469 /nfs/dbraw/zinc/19/84/69/302198469.db2.gz QXVUIGUJISCPPD-LJQANCHMSA-N 2 1 313.445 2.725 20 0 DFADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000565540390 302229231 /nfs/dbraw/zinc/22/92/31/302229231.db2.gz TVWADZVJOAWDBT-CVEARBPZSA-N 2 1 302.462 2.904 20 0 DFADMP C[N@@H+](C[C@H](O)CNCc1ccc(-c2ccco2)cc1F)C1CC1 ZINC000565770164 302241423 /nfs/dbraw/zinc/24/14/23/302241423.db2.gz HJTSACVRGQLLHT-MRXNPFEDSA-N 2 1 318.392 2.630 20 0 DFADMP CCOc1ccc(CN(C[C@@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC000565841597 302244541 /nfs/dbraw/zinc/24/45/41/302244541.db2.gz GCKMCOGYVRFYIP-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[N@H+](C[C@@H](O)CN(C)CC)C(C)C)cc1 ZINC000565841597 302244543 /nfs/dbraw/zinc/24/45/43/302244543.db2.gz GCKMCOGYVRFYIP-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[N@@H+](C[C@@H](O)CN(C)CC)C(C)C)cc1 ZINC000565841597 302244545 /nfs/dbraw/zinc/24/45/45/302244545.db2.gz GCKMCOGYVRFYIP-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)CC)C(C)C)cc1 ZINC000565841597 302244546 /nfs/dbraw/zinc/24/45/46/302244546.db2.gz GCKMCOGYVRFYIP-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)CC)C(C)C)cc1 ZINC000565841597 302244547 /nfs/dbraw/zinc/24/45/47/302244547.db2.gz GCKMCOGYVRFYIP-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)CC)C(C)C)cc1 ZINC000565841597 302244549 /nfs/dbraw/zinc/24/45/49/302244549.db2.gz GCKMCOGYVRFYIP-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC000565841597 302244551 /nfs/dbraw/zinc/24/45/51/302244551.db2.gz GCKMCOGYVRFYIP-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCN(C(=O)CCCC[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000565890558 302247404 /nfs/dbraw/zinc/24/74/04/302247404.db2.gz UJYLNBGYVVPHAP-AEFFLSMTSA-N 2 1 317.477 2.799 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccc(Cl)cc1 ZINC000566106534 302259998 /nfs/dbraw/zinc/25/99/98/302259998.db2.gz SZJWLUKZRRHUSZ-HZPDHXFCSA-N 2 1 321.852 2.885 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)Nc1ccc(Cl)cc1 ZINC000566106534 302260000 /nfs/dbraw/zinc/26/00/00/302260000.db2.gz SZJWLUKZRRHUSZ-HZPDHXFCSA-N 2 1 321.852 2.885 20 0 DFADMP C[C@H](CC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)n1ccnc1 ZINC000566309431 302278480 /nfs/dbraw/zinc/27/84/80/302278480.db2.gz ZOTGOXIETSLERK-NVXWUHKLSA-N 2 1 324.428 2.845 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000566614938 302298988 /nfs/dbraw/zinc/29/89/88/302298988.db2.gz AYZTWFHIKAARQT-MJGOQNOKSA-N 2 1 304.478 2.692 20 0 DFADMP CC[C@@H](C)C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000567111649 302336782 /nfs/dbraw/zinc/33/67/82/302336782.db2.gz SUJIGAQXVDMQCW-RHSMWYFYSA-N 2 1 319.449 2.618 20 0 DFADMP Cc1cc(-c2noc(C[NH+]3CCC(CC[NH3+])CC3)n2)ccc1F ZINC000567509639 302365034 /nfs/dbraw/zinc/36/50/34/302365034.db2.gz JRDHBVLVOUWWMZ-UHFFFAOYSA-N 2 1 318.396 2.745 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CC1(Cc2ccccc2)CCCC1)C1CC1 ZINC000567709697 302382865 /nfs/dbraw/zinc/38/28/65/302382865.db2.gz ORNXMKAHIFEGNQ-LJQANCHMSA-N 2 1 316.489 2.834 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(Cc2ccccc2)CCCC1)C1CC1 ZINC000567709697 302382867 /nfs/dbraw/zinc/38/28/67/302382867.db2.gz ORNXMKAHIFEGNQ-LJQANCHMSA-N 2 1 316.489 2.834 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567825211 302390614 /nfs/dbraw/zinc/39/06/14/302390614.db2.gz BKBJYCBWWDDECL-DOTOQJQBSA-N 2 1 305.466 2.703 20 0 DFADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCCc2ccccc21 ZINC000567897023 302397748 /nfs/dbraw/zinc/39/77/48/302397748.db2.gz UJJOYERGEYBLAC-HBMCJLEFSA-N 2 1 324.468 2.927 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000569472628 302520606 /nfs/dbraw/zinc/52/06/06/302520606.db2.gz ILXWERPFTFKEEG-NWDGAFQWSA-N 2 1 317.355 2.500 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000569931719 302546827 /nfs/dbraw/zinc/54/68/27/302546827.db2.gz ITPAXLJXJAPIAL-UHFFFAOYSA-N 2 1 316.436 2.638 20 0 DFADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371588067 303132722 /nfs/dbraw/zinc/13/27/22/303132722.db2.gz JKOGLADKKVRMBZ-ZFWWWQNUSA-N 2 1 301.365 2.841 20 0 DFADMP Cc1ccccc1CCC[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180958900 316047483 /nfs/dbraw/zinc/04/74/83/316047483.db2.gz RCSQOQQSOGWCIW-UHFFFAOYSA-N 2 1 317.521 2.885 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663587 316189849 /nfs/dbraw/zinc/18/98/49/316189849.db2.gz GUTCNMODIBTXFU-ILXRZTDVSA-N 2 1 309.498 2.532 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663587 316189852 /nfs/dbraw/zinc/18/98/52/316189852.db2.gz GUTCNMODIBTXFU-ILXRZTDVSA-N 2 1 309.498 2.532 20 0 DFADMP CC(C)N(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185746261 316191562 /nfs/dbraw/zinc/19/15/62/316191562.db2.gz BPOAHEUQNMYAKV-IRXDYDNUSA-N 2 1 323.525 2.874 20 0 DFADMP CC(C)N(C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185746261 316191564 /nfs/dbraw/zinc/19/15/64/316191564.db2.gz BPOAHEUQNMYAKV-IRXDYDNUSA-N 2 1 323.525 2.874 20 0 DFADMP CC[C@H]([NH2+]CCCCn1cc[nH+]c1C)C1(C(=O)OC)CCC1 ZINC000353535648 316536085 /nfs/dbraw/zinc/53/60/85/316536085.db2.gz KSQBJCYFDOYFHW-HNNXBMFYSA-N 2 1 307.438 2.683 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000414793501 316660266 /nfs/dbraw/zinc/66/02/66/316660266.db2.gz UKEDIZQMWYYTDW-ZBFHGGJFSA-N 2 1 312.816 2.807 20 0 DFADMP CC(C)([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414809676 316664143 /nfs/dbraw/zinc/66/41/43/316664143.db2.gz VZIRPKSHHZTPFE-UHFFFAOYSA-N 2 1 321.428 2.761 20 0 DFADMP Cc1ccc(F)c(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000449550770 317040935 /nfs/dbraw/zinc/04/09/35/317040935.db2.gz COGDCAVEENQJEI-UHFFFAOYSA-N 2 1 307.438 2.985 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000449559524 317044763 /nfs/dbraw/zinc/04/47/63/317044763.db2.gz BWVAMNZSKYVHCC-FAHTYWLASA-N 2 1 308.466 2.569 20 0 DFADMP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449639014 317046219 /nfs/dbraw/zinc/04/62/19/317046219.db2.gz NLJXPSAQUVTIMM-RTBURBONSA-N 2 1 322.468 2.972 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000450097938 317059773 /nfs/dbraw/zinc/05/97/73/317059773.db2.gz RQZDFGOLPGDWOI-NJAFHUGGSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000450097938 317059777 /nfs/dbraw/zinc/05/97/77/317059777.db2.gz RQZDFGOLPGDWOI-NJAFHUGGSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000450097938 317059781 /nfs/dbraw/zinc/05/97/81/317059781.db2.gz RQZDFGOLPGDWOI-NJAFHUGGSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450376139 317087560 /nfs/dbraw/zinc/08/75/60/317087560.db2.gz ZTGPEJOMBZMOGC-DKISHCGFSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000450497106 317098390 /nfs/dbraw/zinc/09/83/90/317098390.db2.gz CDCTWYTYCUUSFJ-NXWXRZEISA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000450497106 317098392 /nfs/dbraw/zinc/09/83/92/317098392.db2.gz CDCTWYTYCUUSFJ-NXWXRZEISA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000450497106 317098394 /nfs/dbraw/zinc/09/83/94/317098394.db2.gz CDCTWYTYCUUSFJ-NXWXRZEISA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncn1 ZINC000453103442 317162673 /nfs/dbraw/zinc/16/26/73/317162673.db2.gz CHLQDLRHUUSPDZ-FUHWJXTLSA-N 2 1 310.445 2.692 20 0 DFADMP O[C@]1(C[NH2+][C@@H](C2CC2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000453138738 317163911 /nfs/dbraw/zinc/16/39/11/317163911.db2.gz YPOQGUJJIVHOQF-UXHICEINSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@@H](C2CC2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000453138738 317163916 /nfs/dbraw/zinc/16/39/16/317163916.db2.gz YPOQGUJJIVHOQF-UXHICEINSA-N 2 1 314.473 2.792 20 0 DFADMP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1Cl ZINC000453292277 317176426 /nfs/dbraw/zinc/17/64/26/317176426.db2.gz NIWJSRUCJWWECU-NWANDNLSSA-N 2 1 309.841 2.706 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cnn(Cc2ccccc2)c1)C1CC1 ZINC000453590129 317191806 /nfs/dbraw/zinc/19/18/06/317191806.db2.gz ASNZEORPYQBXOL-UHFFFAOYSA-N 2 1 312.461 2.895 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459335858 317319662 /nfs/dbraw/zinc/31/96/62/317319662.db2.gz OMCWTWNPTUCHTL-UXPWSPDFSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CC1(C)C ZINC000487556795 317347264 /nfs/dbraw/zinc/34/72/64/317347264.db2.gz IPPSDIFOWBKYGJ-QGTPRVQTSA-N 2 1 302.462 2.777 20 0 DFADMP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000488240230 317378223 /nfs/dbraw/zinc/37/82/23/317378223.db2.gz SCFBMPVNFPJMAC-ROUUACIJSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000488406495 317390201 /nfs/dbraw/zinc/39/02/01/317390201.db2.gz CNYFPNRKYPJRAZ-PCODVIEZSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000488406495 317390204 /nfs/dbraw/zinc/39/02/04/317390204.db2.gz CNYFPNRKYPJRAZ-PCODVIEZSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@@H]1C[C@H]1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000488436965 317393284 /nfs/dbraw/zinc/39/32/84/317393284.db2.gz CNQDKPDLGGPQFA-NEWSRXKRSA-N 2 1 301.478 2.611 20 0 DFADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CS1 ZINC000488454337 317394754 /nfs/dbraw/zinc/39/47/54/317394754.db2.gz YGUUZTKJKRGOEX-PMPSAXMXSA-N 2 1 314.539 2.733 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179714 317773719 /nfs/dbraw/zinc/77/37/19/317773719.db2.gz VLNJZUHBDGQIES-IRXDYDNUSA-N 2 1 306.425 2.648 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530225384 317777005 /nfs/dbraw/zinc/77/70/05/317777005.db2.gz YYNVPPSRIYROJB-JGVFFNPUSA-N 2 1 307.182 2.943 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000566230057 317942666 /nfs/dbraw/zinc/94/26/66/317942666.db2.gz CTIWSEJMOCWMRS-VHSXEESVSA-N 2 1 314.355 2.808 20 0 DFADMP Cc1cc(NC(=O)N[C@@H](C[NH3+])C2CCCCC2)cn2cc[nH+]c12 ZINC000574545214 318024175 /nfs/dbraw/zinc/02/41/75/318024175.db2.gz NSJWNMVJAXXXIO-HNNXBMFYSA-N 2 1 315.421 2.672 20 0 DFADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000574631330 318029131 /nfs/dbraw/zinc/02/91/31/318029131.db2.gz FKMVZFSPFYRPEJ-WBVHZDCISA-N 2 1 310.869 2.706 20 0 DFADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000574631330 318029132 /nfs/dbraw/zinc/02/91/32/318029132.db2.gz FKMVZFSPFYRPEJ-WBVHZDCISA-N 2 1 310.869 2.706 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000575243646 318072089 /nfs/dbraw/zinc/07/20/89/318072089.db2.gz UXWFFPMVEVCHIK-YESZJQIVSA-N 2 1 305.466 2.784 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000575450158 318077641 /nfs/dbraw/zinc/07/76/41/318077641.db2.gz SRIUOTNCBUVVRY-SZMVWBNQSA-N 2 1 323.525 2.780 20 0 DFADMP Cn1cc[nH+]c1[C@@H]1CCN(c2ncnc3[nH]c4ccccc4c32)C1 ZINC000575498208 318078264 /nfs/dbraw/zinc/07/82/64/318078264.db2.gz UYGORTFSZXCNNZ-GFCCVEGCSA-N 2 1 318.384 2.839 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000576030476 318099290 /nfs/dbraw/zinc/09/92/90/318099290.db2.gz YIQZPNYMZZNBML-AEFFLSMTSA-N 2 1 324.896 2.811 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000576220043 318111649 /nfs/dbraw/zinc/11/16/49/318111649.db2.gz AZEXYIDZIDJABS-ROUUACIJSA-N 2 1 304.478 2.548 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000576283275 318116242 /nfs/dbraw/zinc/11/62/42/318116242.db2.gz IQBISHXDPOWKMH-UHFFFAOYSA-N 2 1 322.880 2.709 20 0 DFADMP O[C@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746438 318147065 /nfs/dbraw/zinc/14/70/65/318147065.db2.gz HZWRGYSSTGKZPG-SFTDATJTSA-N 2 1 324.468 2.702 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454580 318193233 /nfs/dbraw/zinc/19/32/33/318193233.db2.gz NRJKOJKMFBTEHW-NEWSRXKRSA-N 2 1 304.478 2.815 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454580 318193235 /nfs/dbraw/zinc/19/32/35/318193235.db2.gz NRJKOJKMFBTEHW-NEWSRXKRSA-N 2 1 304.478 2.815 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454580 318193237 /nfs/dbraw/zinc/19/32/37/318193237.db2.gz NRJKOJKMFBTEHW-NEWSRXKRSA-N 2 1 304.478 2.815 20 0 DFADMP Cn1cc([C@H]2C[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2(C)C)cn1 ZINC000578079726 318236599 /nfs/dbraw/zinc/23/65/99/318236599.db2.gz BKJIHPKPSAVMDF-DLBZAZTESA-N 2 1 304.482 2.720 20 0 DFADMP Cn1cc([C@H]2C[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000578079726 318236601 /nfs/dbraw/zinc/23/66/01/318236601.db2.gz BKJIHPKPSAVMDF-DLBZAZTESA-N 2 1 304.482 2.720 20 0 DFADMP Cn1cc([C@H]2C[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000578079726 318236602 /nfs/dbraw/zinc/23/66/02/318236602.db2.gz BKJIHPKPSAVMDF-DLBZAZTESA-N 2 1 304.482 2.720 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000578140003 318240627 /nfs/dbraw/zinc/24/06/27/318240627.db2.gz VQARRQABNHVJFY-ZYHUDNBSSA-N 2 1 313.804 2.619 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000578337316 318254126 /nfs/dbraw/zinc/25/41/26/318254126.db2.gz CKDZOQRKGHZYAF-CABCVRRESA-N 2 1 310.445 2.721 20 0 DFADMP CCOCC[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000578435958 318260611 /nfs/dbraw/zinc/26/06/11/318260611.db2.gz ZMTBXNRCIQPRHW-APWZRJJASA-N 2 1 320.477 2.589 20 0 DFADMP CN(C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CCC[NH2+]CC1 ZINC000578536606 318268645 /nfs/dbraw/zinc/26/86/45/318268645.db2.gz JGHWDFUJTIVUBE-JKSUJKDBSA-N 2 1 323.868 2.543 20 0 DFADMP CN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@H]1CCC[NH2+]CC1 ZINC000578536603 318268689 /nfs/dbraw/zinc/26/86/89/318268689.db2.gz JGHWDFUJTIVUBE-HOTGVXAUSA-N 2 1 323.868 2.543 20 0 DFADMP COc1cc(F)c(C[N@H+]2CCC[C@H]2Cn2ccnc2)cc1OC ZINC000579966554 318366971 /nfs/dbraw/zinc/36/69/71/318366971.db2.gz LYEYHSUJBAJYOC-AWEZNQCLSA-N 2 1 319.380 2.704 20 0 DFADMP COc1cc(F)c(CN2CCC[C@H]2Cn2ccnc2)cc1OC ZINC000579966554 318366972 /nfs/dbraw/zinc/36/69/72/318366972.db2.gz LYEYHSUJBAJYOC-AWEZNQCLSA-N 2 1 319.380 2.704 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)o1 ZINC000580183419 318381713 /nfs/dbraw/zinc/38/17/13/318381713.db2.gz SZZTYXHGJGFHKN-CYBMUJFWSA-N 2 1 314.433 2.942 20 0 DFADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000381524084 323294693 /nfs/dbraw/zinc/29/46/93/323294693.db2.gz YJABHOOPXKAIBL-MRLBHPIUSA-N 2 1 313.486 2.606 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382737908 323302705 /nfs/dbraw/zinc/30/27/05/323302705.db2.gz KELFNVFCDGWFHK-RBUKOAKNSA-N 2 1 303.494 2.814 20 0 DFADMP c1ccc(COC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000384051497 323305631 /nfs/dbraw/zinc/30/56/31/323305631.db2.gz UDQLTAACVRAHAO-HKUYNNGSSA-N 2 1 302.462 2.915 20 0 DFADMP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000383818190 323305756 /nfs/dbraw/zinc/30/57/56/323305756.db2.gz HDWMDFMZVHISHR-PHIMTYICSA-N 2 1 315.280 2.942 20 0 DFADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388747041 323332626 /nfs/dbraw/zinc/33/26/26/323332626.db2.gz DGGIJYKREKUWSB-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@@H](C)CC(C)C)CC2)CC1 ZINC000580447343 323387363 /nfs/dbraw/zinc/38/73/63/323387363.db2.gz FKVVTIDVLWGBHD-INIZCTEOSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[NH2+]CC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000580467263 323390684 /nfs/dbraw/zinc/39/06/84/323390684.db2.gz WCSUFKLOUOKLMV-UHFFFAOYSA-N 2 1 314.433 2.991 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000582130213 323622848 /nfs/dbraw/zinc/62/28/48/323622848.db2.gz VKTHDRPLUDUQHQ-DLBZAZTESA-N 2 1 321.371 2.751 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000582839252 323745499 /nfs/dbraw/zinc/74/54/99/323745499.db2.gz JPLIDJHYQGQQCF-CYBMUJFWSA-N 2 1 307.438 2.692 20 0 DFADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584469630 337344964 /nfs/dbraw/zinc/34/49/64/337344964.db2.gz ORKZRUXGOGDLNS-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584469630 337344965 /nfs/dbraw/zinc/34/49/65/337344965.db2.gz ORKZRUXGOGDLNS-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000316873437 534204658 /nfs/dbraw/zinc/20/46/58/534204658.db2.gz WRNDMLZROXJTBD-HUUCEWRRSA-N 2 1 300.406 2.695 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000316873437 534204661 /nfs/dbraw/zinc/20/46/61/534204661.db2.gz WRNDMLZROXJTBD-HUUCEWRRSA-N 2 1 300.406 2.695 20 0 DFADMP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000369073179 518140152 /nfs/dbraw/zinc/14/01/52/518140152.db2.gz BLVOVMXVZCPALU-IUODEOHRSA-N 2 1 301.365 2.623 20 0 DFADMP O[C@H](c1ccccc1)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000297607443 534434461 /nfs/dbraw/zinc/43/44/61/534434461.db2.gz KKIUUOPATSTMNP-GOSISDBHSA-N 2 1 300.446 2.717 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000354101335 520696328 /nfs/dbraw/zinc/69/63/28/520696328.db2.gz TVYHCURIRAXZFQ-INIZCTEOSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000354101335 520696335 /nfs/dbraw/zinc/69/63/35/520696335.db2.gz TVYHCURIRAXZFQ-INIZCTEOSA-N 2 1 312.404 2.898 20 0 DFADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1 ZINC000364841805 521645579 /nfs/dbraw/zinc/64/55/79/521645579.db2.gz BTEFNBUXEVBABA-RECFNFPXSA-N 2 1 324.509 2.671 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3C)CC1 ZINC000154459953 521680349 /nfs/dbraw/zinc/68/03/49/521680349.db2.gz OPSTYXBJQHSBOU-FQEVSTJZSA-N 2 1 315.505 2.990 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncccc2C)[C@H](C)C1 ZINC000154631606 521707090 /nfs/dbraw/zinc/70/70/90/521707090.db2.gz HUZGDTNBZYCYQJ-IAGOWNOFSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncccc2C)[C@H](C)C1 ZINC000154631606 521707093 /nfs/dbraw/zinc/70/70/93/521707093.db2.gz HUZGDTNBZYCYQJ-IAGOWNOFSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000156721818 521708298 /nfs/dbraw/zinc/70/82/98/521708298.db2.gz YOSUTUSVOIKUKG-OWSLCNJRSA-N 2 1 312.498 2.671 20 0 DFADMP CCn1cc([C@@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cn1 ZINC000163503517 523452905 /nfs/dbraw/zinc/45/29/05/523452905.db2.gz SWOVQUWGOZMCNF-OAHLLOKOSA-N 2 1 313.449 2.926 20 0 DFADMP Cc1ccc(CC2(O)CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000366368587 524280362 /nfs/dbraw/zinc/28/03/62/524280362.db2.gz GBOFSVLIPGLVRZ-LJQANCHMSA-N 2 1 316.489 2.849 20 0 DFADMP CCOc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccc1O ZINC000316086465 528274315 /nfs/dbraw/zinc/27/43/15/528274315.db2.gz BKXPQWHABJBPAK-MQVJKMGUSA-N 2 1 304.434 2.896 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000295608272 528547324 /nfs/dbraw/zinc/54/73/24/528547324.db2.gz DOJPBPMAOQBOCB-AWEZNQCLSA-N 2 1 321.490 2.562 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000293076771 528990855 /nfs/dbraw/zinc/99/08/55/528990855.db2.gz MFJKUXUVOFOHIU-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000261924771 535153966 /nfs/dbraw/zinc/15/39/66/535153966.db2.gz KYGQDKJGHVWEEA-KFWWJZLASA-N 2 1 308.491 2.772 20 0 DFADMP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)OCCO1 ZINC000245639597 535158155 /nfs/dbraw/zinc/15/81/55/535158155.db2.gz ALUDZGIUVBJIAP-NNZMDNLPSA-N 2 1 316.445 2.535 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N2CCC[C@H](C)C2)CC1 ZINC000170793968 535509290 /nfs/dbraw/zinc/50/92/90/535509290.db2.gz XCWUTJVMGCPTRN-KRWDZBQOSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000361730165 535677893 /nfs/dbraw/zinc/67/78/93/535677893.db2.gz WQTWKWAJDCGXPT-ABAIWWIYSA-N 2 1 318.396 2.624 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517849 535710541 /nfs/dbraw/zinc/71/05/41/535710541.db2.gz PRFPTQGFBIMLAC-UHFFFAOYSA-N 2 1 316.445 2.863 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640531 535772473 /nfs/dbraw/zinc/77/24/73/535772473.db2.gz FOUXFHNEXKBMHE-FQEVSTJZSA-N 3 1 315.505 2.830 20 0 DFADMP CC[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640531 535772477 /nfs/dbraw/zinc/77/24/77/535772477.db2.gz FOUXFHNEXKBMHE-FQEVSTJZSA-N 3 1 315.505 2.830 20 0 DFADMP CC[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640531 535772478 /nfs/dbraw/zinc/77/24/78/535772478.db2.gz FOUXFHNEXKBMHE-FQEVSTJZSA-N 3 1 315.505 2.830 20 0 DFADMP CC[N@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640531 535772482 /nfs/dbraw/zinc/77/24/82/535772482.db2.gz FOUXFHNEXKBMHE-FQEVSTJZSA-N 2 1 315.505 2.830 20 0 DFADMP CC[N@@H+](C[C@@H]1CCN(Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640531 535772483 /nfs/dbraw/zinc/77/24/83/535772483.db2.gz FOUXFHNEXKBMHE-FQEVSTJZSA-N 2 1 315.505 2.830 20 0 DFADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000228725177 535974458 /nfs/dbraw/zinc/97/44/58/535974458.db2.gz XSIUWQXGGXKHOE-QGZVFWFLSA-N 2 1 304.459 2.817 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)[C@H]1C ZINC000354643279 536319136 /nfs/dbraw/zinc/31/91/36/536319136.db2.gz FRBOJYNYXQZJOM-QZWWFDLISA-N 2 1 310.482 2.818 20 0 DFADMP C[N@@H+](CCNC1CC[NH+](Cc2ccccn2)CC1)C1CCCC1 ZINC000361182900 536386726 /nfs/dbraw/zinc/38/67/26/536386726.db2.gz JVFOYWFXVXYEFS-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000361762405 536677184 /nfs/dbraw/zinc/67/71/84/536677184.db2.gz CZPOYZLCVJGDPY-VYDXJSESSA-N 2 1 306.450 2.845 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000361762405 536677189 /nfs/dbraw/zinc/67/71/89/536677189.db2.gz CZPOYZLCVJGDPY-VYDXJSESSA-N 2 1 306.450 2.845 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cn(C)nc2-c2cccs2)C1 ZINC000680932757 545565743 /nfs/dbraw/zinc/56/57/43/545565743.db2.gz OFEBECOSFQUCIZ-OCCSQVGLSA-N 2 1 304.463 2.578 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cn(C)nc2-c2cccs2)C1 ZINC000680932757 545565748 /nfs/dbraw/zinc/56/57/48/545565748.db2.gz OFEBECOSFQUCIZ-OCCSQVGLSA-N 2 1 304.463 2.578 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000680932723 545566481 /nfs/dbraw/zinc/56/64/81/545566481.db2.gz NIRBWZZNPOTOJM-SUMWQHHRSA-N 2 1 314.433 2.515 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000680932723 545566482 /nfs/dbraw/zinc/56/64/82/545566482.db2.gz NIRBWZZNPOTOJM-SUMWQHHRSA-N 2 1 314.433 2.515 20 0 DFADMP Brc1ccsc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000680884434 545556681 /nfs/dbraw/zinc/55/66/81/545556681.db2.gz YGAMUXYLLLHNJQ-VIFPVBQESA-N 2 1 312.236 2.812 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091084 545595678 /nfs/dbraw/zinc/59/56/78/545595678.db2.gz XGNMXDZVYPLJIE-XGHPGWEVSA-N 2 1 324.415 2.503 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1nc3c(s1)CCCC3)C2 ZINC000681915571 545752032 /nfs/dbraw/zinc/75/20/32/545752032.db2.gz NMPWPEZMAAKYGM-GFCCVEGCSA-N 2 1 302.447 2.571 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681927657 545754129 /nfs/dbraw/zinc/75/41/29/545754129.db2.gz LRQCVNNMTUEYGD-IKGGRYGDSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681927657 545754133 /nfs/dbraw/zinc/75/41/33/545754133.db2.gz LRQCVNNMTUEYGD-IKGGRYGDSA-N 2 1 305.466 2.973 20 0 DFADMP COc1ncc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000681928100 545754161 /nfs/dbraw/zinc/75/41/61/545754161.db2.gz HVLZKXTWLARDHD-GFCCVEGCSA-N 2 1 320.824 2.635 20 0 DFADMP COc1ncc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000681928100 545754164 /nfs/dbraw/zinc/75/41/64/545754164.db2.gz HVLZKXTWLARDHD-GFCCVEGCSA-N 2 1 320.824 2.635 20 0 DFADMP CC(C)[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682039604 545783002 /nfs/dbraw/zinc/78/30/02/545783002.db2.gz HZTHHMRMRAGYBK-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682039604 545783006 /nfs/dbraw/zinc/78/30/06/545783006.db2.gz HZTHHMRMRAGYBK-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000682039604 545783012 /nfs/dbraw/zinc/78/30/12/545783012.db2.gz HZTHHMRMRAGYBK-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000682039604 545783018 /nfs/dbraw/zinc/78/30/18/545783018.db2.gz HZTHHMRMRAGYBK-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000682073663 545788754 /nfs/dbraw/zinc/78/87/54/545788754.db2.gz VRAHBIDAEGEJBS-KXBFYZLASA-N 2 1 302.462 2.699 20 0 DFADMP CC[C@@]1(C)C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000682408089 545842633 /nfs/dbraw/zinc/84/26/33/545842633.db2.gz BUPLFZMNNWVCID-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CC[C@@]1(C)C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000682408089 545842639 /nfs/dbraw/zinc/84/26/39/545842639.db2.gz BUPLFZMNNWVCID-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP COC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000682941756 545944974 /nfs/dbraw/zinc/94/49/74/545944974.db2.gz DDLDSYKHRYAILA-KRWDZBQOSA-N 2 1 310.482 2.569 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000682941191 545945166 /nfs/dbraw/zinc/94/51/66/545945166.db2.gz XKAJTUWLJPGWOF-UHFFFAOYSA-N 2 1 301.887 2.519 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]C1CCC3(CCOCC3)CC1)CC2 ZINC000683721707 546081661 /nfs/dbraw/zinc/08/16/61/546081661.db2.gz NAZLZSWEDSFDGK-OAHLLOKOSA-N 2 1 303.450 2.775 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]C1CCC3(CCOCC3)CC1)CC2 ZINC000683721706 546081886 /nfs/dbraw/zinc/08/18/86/546081886.db2.gz NAZLZSWEDSFDGK-HNNXBMFYSA-N 2 1 303.450 2.775 20 0 DFADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000684162636 546161143 /nfs/dbraw/zinc/16/11/43/546161143.db2.gz AVNAUIWRXWQOPH-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000684366080 546201568 /nfs/dbraw/zinc/20/15/68/546201568.db2.gz IKDCGPKKSGGIKR-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1 ZINC000684375872 546203800 /nfs/dbraw/zinc/20/38/00/546203800.db2.gz CMSDZRCPGZLPAL-IXDOHACOSA-N 2 1 318.465 2.609 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@H](OC)C3)CCCC2)CC1 ZINC000684379212 546205109 /nfs/dbraw/zinc/20/51/09/546205109.db2.gz CIEHETLGMQNBLV-AEFFLSMTSA-N 2 1 324.509 2.957 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000684390994 546208083 /nfs/dbraw/zinc/20/80/83/546208083.db2.gz NBBNBFCPKNDYDY-IRXDYDNUSA-N 2 1 310.482 2.569 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000685457264 546353165 /nfs/dbraw/zinc/35/31/65/546353165.db2.gz RDQQRZUTIWKYDI-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685459773 546353914 /nfs/dbraw/zinc/35/39/14/546353914.db2.gz NKKAQTDVIPXTSG-UHFFFAOYSA-N 2 1 316.449 2.859 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000685459773 546353916 /nfs/dbraw/zinc/35/39/16/546353916.db2.gz NKKAQTDVIPXTSG-UHFFFAOYSA-N 2 1 316.449 2.859 20 0 DFADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685465677 546355861 /nfs/dbraw/zinc/35/58/61/546355861.db2.gz ZXBYJXDVIBSWQN-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685465677 546355865 /nfs/dbraw/zinc/35/58/65/546355865.db2.gz ZXBYJXDVIBSWQN-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@@H+](Cc1cnc(C2CC2)s1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685465581 546356112 /nfs/dbraw/zinc/35/61/12/546356112.db2.gz UVMOVFXDZBRUCM-GFCCVEGCSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@H+](Cc1cnc(C2CC2)s1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685465581 546356115 /nfs/dbraw/zinc/35/61/15/546356115.db2.gz UVMOVFXDZBRUCM-GFCCVEGCSA-N 2 1 302.447 2.911 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685465765 546356570 /nfs/dbraw/zinc/35/65/70/546356570.db2.gz DNUJCPLQSKSGTG-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1nc2ccccn2c1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685465765 546356574 /nfs/dbraw/zinc/35/65/74/546356574.db2.gz DNUJCPLQSKSGTG-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP COc1cccc(C[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000685561928 546367670 /nfs/dbraw/zinc/36/76/70/546367670.db2.gz CFNLKAKJJDVPHK-GOSISDBHSA-N 2 1 320.477 2.608 20 0 DFADMP COc1cccc(C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000685561928 546367673 /nfs/dbraw/zinc/36/76/73/546367673.db2.gz CFNLKAKJJDVPHK-GOSISDBHSA-N 2 1 320.477 2.608 20 0 DFADMP COc1cccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000685561928 546367676 /nfs/dbraw/zinc/36/76/76/546367676.db2.gz CFNLKAKJJDVPHK-GOSISDBHSA-N 2 1 320.477 2.608 20 0 DFADMP COc1cccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000685561928 546367679 /nfs/dbraw/zinc/36/76/79/546367679.db2.gz CFNLKAKJJDVPHK-GOSISDBHSA-N 2 1 320.477 2.608 20 0 DFADMP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577747 546369826 /nfs/dbraw/zinc/36/98/26/546369826.db2.gz FVWMOZBPYTYBTJ-HZPDHXFCSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577747 546369829 /nfs/dbraw/zinc/36/98/29/546369829.db2.gz FVWMOZBPYTYBTJ-HZPDHXFCSA-N 2 1 303.450 2.869 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H]3CCSC3)c2)CCO1 ZINC000278317113 214086283 /nfs/dbraw/zinc/08/62/83/214086283.db2.gz DOSNRFVXHLRXEZ-MAUKXSAKSA-N 2 1 320.502 2.750 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CCSC3)c2)CCO1 ZINC000278317113 214086285 /nfs/dbraw/zinc/08/62/85/214086285.db2.gz DOSNRFVXHLRXEZ-MAUKXSAKSA-N 2 1 320.502 2.750 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)nc2C)[C@H](C)C1 ZINC000278312515 214083685 /nfs/dbraw/zinc/08/36/85/214083685.db2.gz DCVSOSKBMYQKGL-PBHICJAKSA-N 2 1 323.456 2.756 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)nc2C)[C@H](C)C1 ZINC000278312515 214083686 /nfs/dbraw/zinc/08/36/86/214083686.db2.gz DCVSOSKBMYQKGL-PBHICJAKSA-N 2 1 323.456 2.756 20 0 DFADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)s2)c1 ZINC000278609629 214273074 /nfs/dbraw/zinc/27/30/74/214273074.db2.gz CWPCGSHUKBAHJC-LBPRGKRZSA-N 2 1 314.414 2.952 20 0 DFADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)s2)c1 ZINC000278609624 214273128 /nfs/dbraw/zinc/27/31/28/214273128.db2.gz CWPCGSHUKBAHJC-GFCCVEGCSA-N 2 1 314.414 2.952 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000315340162 231140351 /nfs/dbraw/zinc/14/03/51/231140351.db2.gz FQDLBMXAYHBWNU-STQMWFEESA-N 2 1 320.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000323623273 231217768 /nfs/dbraw/zinc/21/77/68/231217768.db2.gz DCDZKBSMMSABNN-XLIONFOSSA-N 3 1 315.505 2.623 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000591907376 398351124 /nfs/dbraw/zinc/35/11/24/398351124.db2.gz ZWQOSYHLQZHCSS-QGZVFWFLSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000591907376 398351126 /nfs/dbraw/zinc/35/11/26/398351126.db2.gz ZWQOSYHLQZHCSS-QGZVFWFLSA-N 2 1 318.465 2.620 20 0 DFADMP CNC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000596200032 398355236 /nfs/dbraw/zinc/35/52/36/398355236.db2.gz RCJMWPFDCYABQV-UHFFFAOYSA-N 2 1 317.477 2.598 20 0 DFADMP CCOc1c(Cl)cc(CNC[C@@H]2CCC[N@H+]2C)cc1OC ZINC000236846437 398364802 /nfs/dbraw/zinc/36/48/02/398364802.db2.gz SFLWBRLZVIQWSZ-ZDUSSCGKSA-N 2 1 312.841 2.931 20 0 DFADMP C[C@]1(C[NH2+]Cc2sccc2Br)CCC[NH2+]C1 ZINC000087576044 185228786 /nfs/dbraw/zinc/22/87/86/185228786.db2.gz PINGCGYVQIOKLB-LBPRGKRZSA-N 2 1 303.269 2.990 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1)C(C)C ZINC000236994023 398365941 /nfs/dbraw/zinc/36/59/41/398365941.db2.gz VPGNHBUCYCDXBD-MAUKXSAKSA-N 2 1 317.477 2.869 20 0 DFADMP CC[C@@H](C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000088506488 185254474 /nfs/dbraw/zinc/25/44/74/185254474.db2.gz FOVYETURPSZJMF-GOSISDBHSA-N 2 1 303.494 2.782 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOc2cc(O)ccc2C1 ZINC000375756055 282204153 /nfs/dbraw/zinc/20/41/53/282204153.db2.gz HRODTIDYCDGBIK-UHFFFAOYSA-N 2 1 301.390 2.572 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOc2cc(O)ccc2C1 ZINC000375756055 282204154 /nfs/dbraw/zinc/20/41/54/282204154.db2.gz HRODTIDYCDGBIK-UHFFFAOYSA-N 2 1 301.390 2.572 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000088671272 185262033 /nfs/dbraw/zinc/26/20/33/185262033.db2.gz COMDGJBEGOKPLN-UZLBHIALSA-N 2 1 313.489 2.723 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000096967048 185394122 /nfs/dbraw/zinc/39/41/22/185394122.db2.gz JEILQKVOEILURW-WMZOPIPTSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCC(F)(F)F ZINC000378244672 282215831 /nfs/dbraw/zinc/21/58/31/282215831.db2.gz QNYUTQUZOBHJRL-MCIONIFRSA-N 2 1 308.388 2.903 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000246751073 282245770 /nfs/dbraw/zinc/24/57/70/282245770.db2.gz ZWHJXEXPSUVMMV-WOSRLPQWSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccnc1 ZINC000092740060 185337854 /nfs/dbraw/zinc/33/78/54/185337854.db2.gz WJIBNPDORHZGLD-KRWDZBQOSA-N 2 1 324.472 2.680 20 0 DFADMP CO[C@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000459396963 299095916 /nfs/dbraw/zinc/09/59/16/299095916.db2.gz IVFFJXDOZUZKMR-WBMJQRKESA-N 2 1 307.825 2.982 20 0 DFADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000272782531 210187609 /nfs/dbraw/zinc/18/76/09/210187609.db2.gz WDRJGSSZQQBYOM-OALUTQOASA-N 2 1 302.462 2.922 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000592433626 398425761 /nfs/dbraw/zinc/42/57/61/398425761.db2.gz MOCJTZCNCLQNFW-GJZGRUSLSA-N 2 1 320.433 2.668 20 0 DFADMP COCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125166 199541092 /nfs/dbraw/zinc/54/10/92/199541092.db2.gz MGILUHUJROSGMX-GBESFXJTSA-N 2 1 302.462 2.913 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)CC[C@H]1[NH3+] ZINC000592489436 398432790 /nfs/dbraw/zinc/43/27/90/398432790.db2.gz VUGWWOJKGQKCIW-DZGCQCFKSA-N 2 1 316.401 2.779 20 0 DFADMP C[C@@H](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000262630124 398432882 /nfs/dbraw/zinc/43/28/82/398432882.db2.gz GXDQLOSBYPEODN-DLBZAZTESA-N 2 1 323.525 2.783 20 0 DFADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493585 398433663 /nfs/dbraw/zinc/43/36/63/398433663.db2.gz XDBHXNQFVRYGGJ-IKGGRYGDSA-N 2 1 308.466 2.572 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000592495650 398433692 /nfs/dbraw/zinc/43/36/92/398433692.db2.gz PIUFVCLFCGKWBB-GOSISDBHSA-N 2 1 310.482 2.677 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493583 398433925 /nfs/dbraw/zinc/43/39/25/398433925.db2.gz XDBHXNQFVRYGGJ-BBWFWOEESA-N 2 1 308.466 2.572 20 0 DFADMP Fc1cccc(F)c1N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459434666 299106141 /nfs/dbraw/zinc/10/61/41/299106141.db2.gz NSQPZOUONFUWEU-CQSZACIVSA-N 2 1 321.415 2.760 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297442842 529959377 /nfs/dbraw/zinc/95/93/77/529959377.db2.gz GJOBPICZPNJXAT-OTWHNJEPSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000297442842 529959378 /nfs/dbraw/zinc/95/93/78/529959378.db2.gz GJOBPICZPNJXAT-OTWHNJEPSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000297442842 529959379 /nfs/dbraw/zinc/95/93/79/529959379.db2.gz GJOBPICZPNJXAT-OTWHNJEPSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000297442842 529959380 /nfs/dbraw/zinc/95/93/80/529959380.db2.gz GJOBPICZPNJXAT-OTWHNJEPSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000299510258 530056427 /nfs/dbraw/zinc/05/64/27/530056427.db2.gz MKQLHQAWAXZHPI-GOSISDBHSA-N 2 1 315.461 2.748 20 0 DFADMP COCc1cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000459460037 299112066 /nfs/dbraw/zinc/11/20/66/299112066.db2.gz IMVGCXXSRXVQHK-UONOGXRCSA-N 2 1 307.438 2.564 20 0 DFADMP O=C(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)NC1CCCCC1 ZINC000089591279 398457400 /nfs/dbraw/zinc/45/74/00/398457400.db2.gz DNZZSQGNMGPABX-UHFFFAOYSA-N 2 1 321.509 2.822 20 0 DFADMP C[C@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046381203 282376757 /nfs/dbraw/zinc/37/67/57/282376757.db2.gz WBWJPBGEXZJHHH-HNNXBMFYSA-N 2 1 318.465 2.602 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044349 398474704 /nfs/dbraw/zinc/47/47/04/398474704.db2.gz PYIWJSCQHPEAFU-KGLIPLIRSA-N 2 1 316.474 2.677 20 0 DFADMP C[N@H+]1CCCC12CCN([C@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC000459479724 299116884 /nfs/dbraw/zinc/11/68/84/299116884.db2.gz UZNHULWAVDRGSK-IBGZPJMESA-N 2 1 313.489 2.821 20 0 DFADMP C[NH+]1CCCC12CCN([C@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000459479724 299116886 /nfs/dbraw/zinc/11/68/86/299116886.db2.gz UZNHULWAVDRGSK-IBGZPJMESA-N 2 1 313.489 2.821 20 0 DFADMP C[NH+]1CCCC12CCN([C@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000459479724 299116889 /nfs/dbraw/zinc/11/68/89/299116889.db2.gz UZNHULWAVDRGSK-IBGZPJMESA-N 2 1 313.489 2.821 20 0 DFADMP Cn1c[nH+]cc1CCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000459484647 299118362 /nfs/dbraw/zinc/11/83/62/299118362.db2.gz UMIUMQGLGHPCKS-UHFFFAOYSA-N 2 1 304.482 2.693 20 0 DFADMP CC(C)(C)N1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000090178369 398484748 /nfs/dbraw/zinc/48/47/48/398484748.db2.gz XVGGDQFXYDWFMV-MRXNPFEDSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912148 398497498 /nfs/dbraw/zinc/49/74/98/398497498.db2.gz ZYBCHSWXURAINS-CKEIUWERSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912148 398497503 /nfs/dbraw/zinc/49/75/03/398497503.db2.gz ZYBCHSWXURAINS-CKEIUWERSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272690135 210095270 /nfs/dbraw/zinc/09/52/70/210095270.db2.gz VOWCSDBGUZZXBK-ZIFCJYIRSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272690135 210095273 /nfs/dbraw/zinc/09/52/73/210095273.db2.gz VOWCSDBGUZZXBK-ZIFCJYIRSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272690135 210095277 /nfs/dbraw/zinc/09/52/77/210095277.db2.gz VOWCSDBGUZZXBK-ZIFCJYIRSA-N 3 1 303.494 2.827 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C2CC2)cc1 ZINC000459555950 299132222 /nfs/dbraw/zinc/13/22/22/299132222.db2.gz HCXYMRFEMLSZSV-UHFFFAOYSA-N 2 1 301.478 2.633 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC(F)F ZINC000068722691 398522410 /nfs/dbraw/zinc/52/24/10/398522410.db2.gz VZAXZKFHDNDWCQ-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@@H](C[NH+](C)C)N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000286880283 219206733 /nfs/dbraw/zinc/20/67/33/219206733.db2.gz CJYILLYTKWUTLQ-KANFNMMFSA-N 2 1 301.478 2.722 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000459585277 299141641 /nfs/dbraw/zinc/14/16/41/299141641.db2.gz JVWBDDBYYAZUDJ-LASHMREHSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272581194 210001317 /nfs/dbraw/zinc/00/13/17/210001317.db2.gz QOXDGPQYVLYHDI-VBSBHUPXSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000272581194 210001320 /nfs/dbraw/zinc/00/13/20/210001320.db2.gz QOXDGPQYVLYHDI-VBSBHUPXSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272581194 210001325 /nfs/dbraw/zinc/00/13/25/210001325.db2.gz QOXDGPQYVLYHDI-VBSBHUPXSA-N 3 1 315.505 2.827 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)c(OC)c1OC ZINC000320938434 398550701 /nfs/dbraw/zinc/55/07/01/398550701.db2.gz DPNHJLOFAGJEBK-CQSZACIVSA-N 2 1 322.449 2.532 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(OC)c1OC ZINC000320938434 398550703 /nfs/dbraw/zinc/55/07/03/398550703.db2.gz DPNHJLOFAGJEBK-CQSZACIVSA-N 2 1 322.449 2.532 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000597041603 398553819 /nfs/dbraw/zinc/55/38/19/398553819.db2.gz BZDXCSRNGJGUCM-GFCCVEGCSA-N 2 1 319.380 2.543 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000069160433 398554124 /nfs/dbraw/zinc/55/41/24/398554124.db2.gz NWNNIPNMLJAVRR-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000069160433 398554122 /nfs/dbraw/zinc/55/41/22/398554122.db2.gz NWNNIPNMLJAVRR-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000459636580 299152501 /nfs/dbraw/zinc/15/25/01/299152501.db2.gz RRWKSOAFHOKCFM-KDURUIRLSA-N 2 1 320.452 2.990 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc1F ZINC000597080829 398562333 /nfs/dbraw/zinc/56/23/33/398562333.db2.gz SSJBCQZUORCOEG-CQSZACIVSA-N 2 1 322.424 2.966 20 0 DFADMP Cn1cc(-c2cccc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)c2)cn1 ZINC000092253828 398564277 /nfs/dbraw/zinc/56/42/77/398564277.db2.gz NUFWLRBILBBAHX-KRWDZBQOSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(-c2cccc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)c2)cn1 ZINC000092253828 398564284 /nfs/dbraw/zinc/56/42/84/398564284.db2.gz NUFWLRBILBBAHX-KRWDZBQOSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(-c2cccc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)c2)cn1 ZINC000092253828 398564291 /nfs/dbraw/zinc/56/42/91/398564291.db2.gz NUFWLRBILBBAHX-KRWDZBQOSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(-c2cccc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)c2)cn1 ZINC000092253827 398564886 /nfs/dbraw/zinc/56/48/86/398564886.db2.gz NUFWLRBILBBAHX-QGZVFWFLSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(-c2cccc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)c2)cn1 ZINC000092253827 398564890 /nfs/dbraw/zinc/56/48/90/398564890.db2.gz NUFWLRBILBBAHX-QGZVFWFLSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(-c2cccc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)c2)cn1 ZINC000092253827 398564899 /nfs/dbraw/zinc/56/48/99/398564899.db2.gz NUFWLRBILBBAHX-QGZVFWFLSA-N 2 1 312.461 2.861 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279826015 215179677 /nfs/dbraw/zinc/17/96/77/215179677.db2.gz GQURSBVLRSRSQE-UHFFFAOYSA-N 2 1 321.856 2.741 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000279826015 215179681 /nfs/dbraw/zinc/17/96/81/215179681.db2.gz GQURSBVLRSRSQE-UHFFFAOYSA-N 2 1 321.856 2.741 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000597131800 398573297 /nfs/dbraw/zinc/57/32/97/398573297.db2.gz YONSUFJETBKLRU-CQSZACIVSA-N 2 1 324.852 2.947 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000597131800 398573304 /nfs/dbraw/zinc/57/33/04/398573304.db2.gz YONSUFJETBKLRU-CQSZACIVSA-N 2 1 324.852 2.947 20 0 DFADMP COc1cc2c(c(C[NH2+]Cc3ccc4c[nH+]cn4c3)c1)O[C@H](C)C2 ZINC000459655195 299157126 /nfs/dbraw/zinc/15/71/26/299157126.db2.gz DPWMQMPYLSXGDI-CYBMUJFWSA-N 2 1 323.396 2.956 20 0 DFADMP CSC1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCC1 ZINC000597186121 398585299 /nfs/dbraw/zinc/58/52/99/398585299.db2.gz FJFVUYPTTQUOJF-QGZVFWFLSA-N 2 1 320.502 2.629 20 0 DFADMP CN(Cc1ccccc1)C[C@H](O)C[N@@H+](C)CC1CCCCC1 ZINC000590125650 398598513 /nfs/dbraw/zinc/59/85/13/398598513.db2.gz ZKAGWSHGHBLIBX-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](C)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000287149289 219344325 /nfs/dbraw/zinc/34/43/25/219344325.db2.gz SRHRVTAQEBAUFN-KURKYZTESA-N 2 1 305.441 2.645 20 0 DFADMP C[C@@H](NCC(C)(C)[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000152603529 186089125 /nfs/dbraw/zinc/08/91/25/186089125.db2.gz UAJOQWNCZVIPEF-OAHLLOKOSA-N 2 1 307.482 2.618 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000155663844 186100615 /nfs/dbraw/zinc/10/06/15/186100615.db2.gz CCBQFJKZWRUCTL-QFBILLFUSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H]1C[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000155663844 186100617 /nfs/dbraw/zinc/10/06/17/186100617.db2.gz CCBQFJKZWRUCTL-QFBILLFUSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H]1C[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000155663844 186100618 /nfs/dbraw/zinc/10/06/18/186100618.db2.gz CCBQFJKZWRUCTL-QFBILLFUSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H]1C[C@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000155663844 186100620 /nfs/dbraw/zinc/10/06/20/186100620.db2.gz CCBQFJKZWRUCTL-QFBILLFUSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H]1C[C@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000155663844 186100622 /nfs/dbraw/zinc/10/06/22/186100622.db2.gz CCBQFJKZWRUCTL-QFBILLFUSA-N 2 1 315.505 2.896 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)Cn2cncn2)cc1 ZINC000164175269 186151364 /nfs/dbraw/zinc/15/13/64/186151364.db2.gz HANKYMLVNAGPDZ-UONOGXRCSA-N 2 1 310.405 2.512 20 0 DFADMP CSC[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093760723 398643391 /nfs/dbraw/zinc/64/33/91/398643391.db2.gz SNOMAWCZZXMEKO-INIZCTEOSA-N 2 1 308.491 2.954 20 0 DFADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000459721011 299172397 /nfs/dbraw/zinc/17/23/97/299172397.db2.gz ACOFCOWRLOSQRZ-INIZCTEOSA-N 2 1 312.461 2.909 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726054 299174019 /nfs/dbraw/zinc/17/40/19/299174019.db2.gz GBLFDDMFNAQAEL-GJZGRUSLSA-N 2 1 321.440 2.864 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000459734299 299176484 /nfs/dbraw/zinc/17/64/84/299176484.db2.gz OKTLQMQYOZWAIA-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2F)CC1 ZINC000171930396 198009706 /nfs/dbraw/zinc/00/97/06/198009706.db2.gz OBOFGRZFJWXOGR-UHFFFAOYSA-N 2 1 321.440 2.961 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000172014280 198026005 /nfs/dbraw/zinc/02/60/05/198026005.db2.gz CTAWEMPXJLOKGH-SJORKVTESA-N 2 1 304.478 2.815 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414855362 295826776 /nfs/dbraw/zinc/82/67/76/295826776.db2.gz MXCKNPAIWNDZMM-OAHLLOKOSA-N 2 1 311.429 2.846 20 0 DFADMP COc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1OC(F)F ZINC000414899517 295832285 /nfs/dbraw/zinc/83/22/85/295832285.db2.gz HERBVVQEZTVVCI-INIZCTEOSA-N 2 1 314.376 2.776 20 0 DFADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414903994 295832859 /nfs/dbraw/zinc/83/28/59/295832859.db2.gz JIFZGJCNIGEAKY-HNNXBMFYSA-N 2 1 312.461 2.869 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000280113133 215384909 /nfs/dbraw/zinc/38/49/09/215384909.db2.gz NSOPOFVARHSZHO-FUHWJXTLSA-N 2 1 301.478 2.975 20 0 DFADMP COc1sc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000414936277 295837540 /nfs/dbraw/zinc/83/75/40/295837540.db2.gz BOCAKQCFBKRNOQ-KWQFWETISA-N 2 1 319.268 2.607 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000414950692 295839496 /nfs/dbraw/zinc/83/94/96/295839496.db2.gz GIDKLYSQPOATOH-DGCLKSJQSA-N 2 1 302.340 2.715 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414950684 295839661 /nfs/dbraw/zinc/83/96/61/295839661.db2.gz GHMGDQKUHSMWIW-GWCFXTLKSA-N 2 1 313.239 2.545 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414959147 295840861 /nfs/dbraw/zinc/84/08/61/295840861.db2.gz PSCFKJWUYIAWHR-ZANVPECISA-N 2 1 301.203 2.676 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786277 398674144 /nfs/dbraw/zinc/67/41/44/398674144.db2.gz LZPZEZLZIONIIP-HOTGVXAUSA-N 2 1 311.514 2.732 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc(Cl)c1OC ZINC000414978209 295843319 /nfs/dbraw/zinc/84/33/19/295843319.db2.gz SQQPMCZKURBPIP-AWEZNQCLSA-N 2 1 312.841 2.835 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(OC(F)F)c(Br)c1)[C@H](C)[NH3+] ZINC000415005654 295846478 /nfs/dbraw/zinc/84/64/78/295846478.db2.gz JJWBMKQXYGDYOR-JGVFFNPUSA-N 2 1 323.181 2.876 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072803438 191232057 /nfs/dbraw/zinc/23/20/57/191232057.db2.gz ODORCZVJAFUDHB-QGZVFWFLSA-N 2 1 317.477 2.987 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000459795480 299195726 /nfs/dbraw/zinc/19/57/26/299195726.db2.gz VKJRTLZXIFMDMD-MRXNPFEDSA-N 2 1 304.482 2.748 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H](C[NH3+])C3CCCC3)CC2)n1 ZINC000415063297 295853395 /nfs/dbraw/zinc/85/33/95/295853395.db2.gz HRIJYMHUXQTEMW-HNNXBMFYSA-N 2 1 308.495 2.527 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000277114360 213302907 /nfs/dbraw/zinc/30/29/07/213302907.db2.gz HIFNSYSYMHBANS-MRXNPFEDSA-N 2 1 314.433 2.695 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000073895166 398707726 /nfs/dbraw/zinc/70/77/26/398707726.db2.gz GKKWGAUDBTYUCC-SFHVURJKSA-N 2 1 320.477 2.539 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000073895166 398707728 /nfs/dbraw/zinc/70/77/28/398707728.db2.gz GKKWGAUDBTYUCC-SFHVURJKSA-N 2 1 320.477 2.539 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727366 198376402 /nfs/dbraw/zinc/37/64/02/198376402.db2.gz ILMIAUSGJAMUGG-SFHVURJKSA-N 2 1 307.457 2.846 20 0 DFADMP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CCC[N@@H+](C)C1 ZINC000073988486 398715915 /nfs/dbraw/zinc/71/59/15/398715915.db2.gz HPYHCFHBDKYRAI-SFHVURJKSA-N 2 1 324.428 2.991 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129100126 283002136 /nfs/dbraw/zinc/00/21/36/283002136.db2.gz FWQSPXCJQLFGCE-BFYDXBDKSA-N 2 1 307.457 2.970 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000129568240 283020799 /nfs/dbraw/zinc/02/07/99/283020799.db2.gz XWVLVHQHKVBVLR-VQIMIIECSA-N 2 1 312.461 2.735 20 0 DFADMP Fc1cncc([C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000281471168 283039268 /nfs/dbraw/zinc/03/92/68/283039268.db2.gz FGRHKSJNNFPXSP-PXAZEXFGSA-N 2 1 300.381 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000597975380 398730717 /nfs/dbraw/zinc/73/07/17/398730717.db2.gz WCMMSBNEVVRMTQ-MSOLQXFVSA-N 2 1 324.428 2.634 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000597975380 398730719 /nfs/dbraw/zinc/73/07/19/398730719.db2.gz WCMMSBNEVVRMTQ-MSOLQXFVSA-N 2 1 324.428 2.634 20 0 DFADMP CC[C@@H](CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)C ZINC000591154107 398733351 /nfs/dbraw/zinc/73/33/51/398733351.db2.gz DOYILOMHVZQGGH-HNNXBMFYSA-N 2 1 318.465 2.844 20 0 DFADMP CC[N@@H+](CC(=O)NCc1ccccc1C[NH+](C)C(C)C)C1CC1 ZINC000131154420 283073673 /nfs/dbraw/zinc/07/36/73/283073673.db2.gz VEISSBGZNHJVLQ-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP CC[NH+](CC(=O)NCc1ccccc1C[N@H+](C)C(C)C)C1CC1 ZINC000131154420 283073675 /nfs/dbraw/zinc/07/36/75/283073675.db2.gz VEISSBGZNHJVLQ-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP CC[NH+](CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C)C1CC1 ZINC000131154420 283073679 /nfs/dbraw/zinc/07/36/79/283073679.db2.gz VEISSBGZNHJVLQ-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP Cc1cccc2c(N[C@@H](C)[C@H](C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000462484130 299226112 /nfs/dbraw/zinc/22/61/12/299226112.db2.gz ISRDZCKFXZETHO-HOTGVXAUSA-N 2 1 313.445 2.795 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCc2cnn(C)c2)C1 ZINC000113934394 398742547 /nfs/dbraw/zinc/74/25/47/398742547.db2.gz SNKXFNKLYGGWDK-PKOBYXMFSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCc2cnn(C)c2)C1 ZINC000113934394 398742550 /nfs/dbraw/zinc/74/25/50/398742550.db2.gz SNKXFNKLYGGWDK-PKOBYXMFSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000113934394 398742554 /nfs/dbraw/zinc/74/25/54/398742554.db2.gz SNKXFNKLYGGWDK-PKOBYXMFSA-N 2 1 318.509 2.939 20 0 DFADMP CC(C)c1cc(N2CC[C@@H]([NH+]3CCCCC3)C2)nc(N(C)C)[nH+]1 ZINC000462832383 299231683 /nfs/dbraw/zinc/23/16/83/299231683.db2.gz KYMGLYBMYVWOFJ-OAHLLOKOSA-N 2 1 317.481 2.731 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000463010237 299233970 /nfs/dbraw/zinc/23/39/70/299233970.db2.gz KZKUGEDHHBRZJW-AWEZNQCLSA-N 2 1 305.470 2.587 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000367616180 283136519 /nfs/dbraw/zinc/13/65/19/283136519.db2.gz LKJJSPCPCXGCAU-UFYCRDLUSA-N 2 1 313.489 2.507 20 0 DFADMP CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133850823 283164475 /nfs/dbraw/zinc/16/44/75/283164475.db2.gz ZQUSJUIYOXUYFG-IPELMVKDSA-N 2 1 303.494 2.782 20 0 DFADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000133850823 283164479 /nfs/dbraw/zinc/16/44/79/283164479.db2.gz ZQUSJUIYOXUYFG-IPELMVKDSA-N 2 1 303.494 2.782 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591582989 398773997 /nfs/dbraw/zinc/77/39/97/398773997.db2.gz XEXLBQICTNCPCC-WCQYABFASA-N 2 1 308.447 2.860 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000236859672 202041173 /nfs/dbraw/zinc/04/11/73/202041173.db2.gz XPCZBJQGTNMXAH-CQSZACIVSA-N 2 1 306.450 2.709 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000236937979 202080709 /nfs/dbraw/zinc/08/07/09/202080709.db2.gz SMYQYYOINHQVEV-OAHLLOKOSA-N 2 1 309.498 2.665 20 0 DFADMP CS[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000591759496 398784618 /nfs/dbraw/zinc/78/46/18/398784618.db2.gz WIVSQLSCEGSYCD-IAGOWNOFSA-N 2 1 324.534 2.847 20 0 DFADMP CS[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000591759496 398784620 /nfs/dbraw/zinc/78/46/20/398784620.db2.gz WIVSQLSCEGSYCD-IAGOWNOFSA-N 2 1 324.534 2.847 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1)C(C)C ZINC000236993261 202112951 /nfs/dbraw/zinc/11/29/51/202112951.db2.gz ABOPHDYAVMFKRX-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000371494242 283208840 /nfs/dbraw/zinc/20/88/40/283208840.db2.gz XUSBDEZPCLBHBK-UHFFFAOYSA-N 2 1 323.525 2.975 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000126082942 283208968 /nfs/dbraw/zinc/20/89/68/283208968.db2.gz YZJAWRLVFUQBHU-IRXDYDNUSA-N 2 1 311.514 2.687 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)CC1(SC)CCC1 ZINC000356348663 283259808 /nfs/dbraw/zinc/25/98/08/283259808.db2.gz WHHUODVUTHRVPM-UHFFFAOYSA-N 2 1 313.555 2.622 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330094 283281521 /nfs/dbraw/zinc/28/15/21/283281521.db2.gz WFKFVUFHWANSGD-GJYPPUQNSA-N 3 1 312.461 2.750 20 0 DFADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1OC ZINC000276741097 213080215 /nfs/dbraw/zinc/08/02/15/213080215.db2.gz XUHZXAWJUSEJKQ-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000179500319 199047082 /nfs/dbraw/zinc/04/70/82/199047082.db2.gz WHWSVIDUYFBCSQ-OWCLPIDISA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000179500319 199047084 /nfs/dbraw/zinc/04/70/84/199047084.db2.gz WHWSVIDUYFBCSQ-OWCLPIDISA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1Br ZINC000286383860 291127771 /nfs/dbraw/zinc/12/77/71/291127771.db2.gz ONYXOGMJUVAHLD-RYUDHWBXSA-N 2 1 310.239 2.907 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000594606607 398830501 /nfs/dbraw/zinc/83/05/01/398830501.db2.gz JNIHSJNJDBWGJO-HNNXBMFYSA-N 2 1 320.433 2.538 20 0 DFADMP CCCC[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000052869796 398854515 /nfs/dbraw/zinc/85/45/15/398854515.db2.gz VQWGCFNWHKHDEX-QGZVFWFLSA-N 2 1 317.477 2.624 20 0 DFADMP CCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000052869796 398854518 /nfs/dbraw/zinc/85/45/18/398854518.db2.gz VQWGCFNWHKHDEX-QGZVFWFLSA-N 2 1 317.477 2.624 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276626481 213009198 /nfs/dbraw/zinc/00/91/98/213009198.db2.gz NBDHSZRDRBQWPE-NQYYFHDYSA-N 2 1 302.462 2.648 20 0 DFADMP CC[NH+](CC)[C@@H](CNc1cc[nH+]c(N(C)C)n1)c1ccco1 ZINC000077213288 398888121 /nfs/dbraw/zinc/88/81/21/398888121.db2.gz YVJFQGKOPYBEAM-ZDUSSCGKSA-N 2 1 303.410 2.631 20 0 DFADMP Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000180986360 199236743 /nfs/dbraw/zinc/23/67/43/199236743.db2.gz GQZNKBYAHDUEQM-GOSISDBHSA-N 2 1 314.429 2.835 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)o1 ZINC000180986360 199236744 /nfs/dbraw/zinc/23/67/44/199236744.db2.gz GQZNKBYAHDUEQM-GOSISDBHSA-N 2 1 314.429 2.835 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)o1 ZINC000180986360 199236746 /nfs/dbraw/zinc/23/67/46/199236746.db2.gz GQZNKBYAHDUEQM-GOSISDBHSA-N 2 1 314.429 2.835 20 0 DFADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000595013866 398891860 /nfs/dbraw/zinc/89/18/60/398891860.db2.gz ULJOTCSIAPYQFV-KGLIPLIRSA-N 2 1 309.454 2.785 20 0 DFADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000595024978 398893921 /nfs/dbraw/zinc/89/39/21/398893921.db2.gz IIWABXMDWBENJB-HNSVSWJLSA-N 2 1 310.482 2.959 20 0 DFADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000595024978 398893917 /nfs/dbraw/zinc/89/39/17/398893917.db2.gz IIWABXMDWBENJB-HNSVSWJLSA-N 2 1 310.482 2.959 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000598955247 398896949 /nfs/dbraw/zinc/89/69/49/398896949.db2.gz KJTZJNIXSVDASU-HUUCEWRRSA-N 2 1 319.449 2.525 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000598955247 398896953 /nfs/dbraw/zinc/89/69/53/398896953.db2.gz KJTZJNIXSVDASU-HUUCEWRRSA-N 2 1 319.449 2.525 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000281010200 216019885 /nfs/dbraw/zinc/01/98/85/216019885.db2.gz YKPWCAKSJIHYFD-SFHVURJKSA-N 2 1 303.450 2.623 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000187120017 200064724 /nfs/dbraw/zinc/06/47/24/200064724.db2.gz IDZORUFPMBDUKJ-GHJWDPDVSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[N@H+]1C ZINC000187120017 200064725 /nfs/dbraw/zinc/06/47/25/200064725.db2.gz IDZORUFPMBDUKJ-GHJWDPDVSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[NH+]1C ZINC000187120017 200064727 /nfs/dbraw/zinc/06/47/27/200064727.db2.gz IDZORUFPMBDUKJ-GHJWDPDVSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[NH+]1C ZINC000187120017 200064729 /nfs/dbraw/zinc/06/47/29/200064729.db2.gz IDZORUFPMBDUKJ-GHJWDPDVSA-N 2 1 314.832 2.927 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268958 200085526 /nfs/dbraw/zinc/08/55/26/200085526.db2.gz YJTHXAXCOWRMDH-CRAIPNDOSA-N 2 1 318.461 2.678 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268958 200085528 /nfs/dbraw/zinc/08/55/28/200085528.db2.gz YJTHXAXCOWRMDH-CRAIPNDOSA-N 2 1 318.461 2.678 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268958 200085530 /nfs/dbraw/zinc/08/55/30/200085530.db2.gz YJTHXAXCOWRMDH-CRAIPNDOSA-N 2 1 318.461 2.678 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)o1 ZINC000237527342 202271237 /nfs/dbraw/zinc/27/12/37/202271237.db2.gz KWFWGDMUVOWGFU-GFCCVEGCSA-N 2 1 313.405 2.909 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000599072022 398917105 /nfs/dbraw/zinc/91/71/05/398917105.db2.gz WVFJNWYIZFSDTL-GXZWQRSESA-N 2 1 308.491 2.807 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(SC)c3)C2)CC1 ZINC000595314678 398921143 /nfs/dbraw/zinc/92/11/43/398921143.db2.gz WAOWVJDKMWVXFA-KRWDZBQOSA-N 2 1 319.518 2.620 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)C1 ZINC000237676214 202325093 /nfs/dbraw/zinc/32/50/93/202325093.db2.gz FGKBMJVVZRGPLT-KXBFYZLASA-N 2 1 315.461 2.857 20 0 DFADMP C[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000151086009 398923961 /nfs/dbraw/zinc/92/39/61/398923961.db2.gz IFNGAQCESKMCRA-CQSZACIVSA-N 2 1 317.468 2.816 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000151086009 398923964 /nfs/dbraw/zinc/92/39/64/398923964.db2.gz IFNGAQCESKMCRA-CQSZACIVSA-N 2 1 317.468 2.816 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292388600 223040989 /nfs/dbraw/zinc/04/09/89/223040989.db2.gz SADGZHWPMJFOGZ-CQSZACIVSA-N 2 1 302.397 2.541 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189077691 200344691 /nfs/dbraw/zinc/34/46/91/200344691.db2.gz QJRWJJXKZLTOME-RBUKOAKNSA-N 2 1 316.489 2.834 20 0 DFADMP O[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000189326220 200381951 /nfs/dbraw/zinc/38/19/51/200381951.db2.gz VBTXVBZEPPONES-VQIMIIECSA-N 2 1 320.452 2.583 20 0 DFADMP CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000417351452 296012900 /nfs/dbraw/zinc/01/29/00/296012900.db2.gz CPTZFKCDMIMEIG-GUDVDZBRSA-N 2 1 313.489 2.581 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000417351452 296012901 /nfs/dbraw/zinc/01/29/01/296012901.db2.gz CPTZFKCDMIMEIG-GUDVDZBRSA-N 2 1 313.489 2.581 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000417351452 296012902 /nfs/dbraw/zinc/01/29/02/296012902.db2.gz CPTZFKCDMIMEIG-GUDVDZBRSA-N 2 1 313.489 2.581 20 0 DFADMP Cc1cnc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471831590 299309291 /nfs/dbraw/zinc/30/92/91/299309291.db2.gz FNJDUGDJKVJWKM-AZUAARDMSA-N 2 1 324.472 2.957 20 0 DFADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000271896506 209305514 /nfs/dbraw/zinc/30/55/14/209305514.db2.gz UIGHZTWGCXPAJY-INIZCTEOSA-N 2 1 302.418 2.760 20 0 DFADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000056525115 398978310 /nfs/dbraw/zinc/97/83/10/398978310.db2.gz QCARATHRLDAOEC-UHFFFAOYSA-N 2 1 320.462 2.962 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281562793 216386761 /nfs/dbraw/zinc/38/67/61/216386761.db2.gz CWHYNYIDKRHPGJ-IAGOWNOFSA-N 2 1 303.381 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281562793 216386763 /nfs/dbraw/zinc/38/67/63/216386763.db2.gz CWHYNYIDKRHPGJ-IAGOWNOFSA-N 2 1 303.381 2.529 20 0 DFADMP COCCCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280348 201372357 /nfs/dbraw/zinc/37/23/57/201372357.db2.gz TUWCTXIMXPJCON-GOSISDBHSA-N 2 1 305.466 2.652 20 0 DFADMP COCCCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280348 201372360 /nfs/dbraw/zinc/37/23/60/201372360.db2.gz TUWCTXIMXPJCON-GOSISDBHSA-N 2 1 305.466 2.652 20 0 DFADMP COCCCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280348 201372363 /nfs/dbraw/zinc/37/23/63/201372363.db2.gz TUWCTXIMXPJCON-GOSISDBHSA-N 2 1 305.466 2.652 20 0 DFADMP COCCCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280348 201372365 /nfs/dbraw/zinc/37/23/65/201372365.db2.gz TUWCTXIMXPJCON-GOSISDBHSA-N 2 1 305.466 2.652 20 0 DFADMP [NH2+]=C(NC[C@@H](c1cccs1)[NH+]1CCCC1)NC1CCCC1 ZINC000195522072 201397875 /nfs/dbraw/zinc/39/78/75/201397875.db2.gz FROAEWSAKLSZGE-AWEZNQCLSA-N 2 1 306.479 2.942 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275452666 212342071 /nfs/dbraw/zinc/34/20/71/212342071.db2.gz GQIYQFPDGDZAMU-HNNXBMFYSA-N 2 1 321.428 2.934 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2cncn2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579774 399019202 /nfs/dbraw/zinc/01/92/02/399019202.db2.gz BZNMYFSZXWUFBS-GOEBONIOSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579774 399019212 /nfs/dbraw/zinc/01/92/12/399019212.db2.gz BZNMYFSZXWUFBS-GOEBONIOSA-N 2 1 321.465 2.652 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599591994 399024370 /nfs/dbraw/zinc/02/43/70/399024370.db2.gz XDZYCWNGISKWAN-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599591994 399024374 /nfs/dbraw/zinc/02/43/74/399024374.db2.gz XDZYCWNGISKWAN-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599591994 399024377 /nfs/dbraw/zinc/02/43/77/399024377.db2.gz XDZYCWNGISKWAN-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP CCCc1ccc(C[N@H+]2CC[C@H](CN3CCOCC3)C2)s1 ZINC000621717804 399043496 /nfs/dbraw/zinc/04/34/96/399043496.db2.gz OJQQXIRPAZOCQQ-OAHLLOKOSA-N 2 1 308.491 2.855 20 0 DFADMP CCOc1cncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000621719280 399045772 /nfs/dbraw/zinc/04/57/72/399045772.db2.gz HPXVSYPPGBRDPP-VQIMIIECSA-N 2 1 315.461 2.929 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cnn(C)c3C)C1)CCCC2 ZINC000275287404 212249646 /nfs/dbraw/zinc/24/96/46/212249646.db2.gz LFXYFCCFZOVPTE-MRXNPFEDSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cnn(C)c3C)C1)CCCC2 ZINC000275287404 212249647 /nfs/dbraw/zinc/24/96/47/212249647.db2.gz LFXYFCCFZOVPTE-MRXNPFEDSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000293039026 223364817 /nfs/dbraw/zinc/36/48/17/223364817.db2.gz QNDONKYFAKCPLU-UHFFFAOYSA-N 2 1 317.408 2.712 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(C)=O)c2ccccc21 ZINC000621749176 399063601 /nfs/dbraw/zinc/06/36/01/399063601.db2.gz UAVFSMUTPKPGCW-KRWDZBQOSA-N 2 1 303.450 2.806 20 0 DFADMP C[C@H](c1ccncc1)[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000606432099 399068569 /nfs/dbraw/zinc/06/85/69/399068569.db2.gz PTSOZCVMMAOVGF-OKZBNKHCSA-N 2 1 316.493 2.633 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)cs2)CC1 ZINC000271780090 209207633 /nfs/dbraw/zinc/20/76/33/209207633.db2.gz DJGYJLJDRTXAJZ-UHFFFAOYSA-N 2 1 301.253 2.862 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000057893084 399070188 /nfs/dbraw/zinc/07/01/88/399070188.db2.gz RMLLRJKEEJUWKE-SFHVURJKSA-N 2 1 319.493 2.914 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)cc2)n1 ZINC000621782247 399077235 /nfs/dbraw/zinc/07/72/35/399077235.db2.gz OBLLAGLNYZNBRK-PKOBYXMFSA-N 2 1 310.445 2.802 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@]4([NH3+])C3)cc2)n1 ZINC000621782247 399077240 /nfs/dbraw/zinc/07/72/40/399077240.db2.gz OBLLAGLNYZNBRK-PKOBYXMFSA-N 2 1 310.445 2.802 20 0 DFADMP CCOc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253912 193181517 /nfs/dbraw/zinc/18/15/17/193181517.db2.gz WORVKWPWFOGUNC-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1OC ZINC000092253912 193181518 /nfs/dbraw/zinc/18/15/18/193181518.db2.gz WORVKWPWFOGUNC-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253912 193181519 /nfs/dbraw/zinc/18/15/19/193181519.db2.gz WORVKWPWFOGUNC-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253912 193181520 /nfs/dbraw/zinc/18/15/20/193181520.db2.gz WORVKWPWFOGUNC-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([S@](C)=O)cc1 ZINC000268766995 299387845 /nfs/dbraw/zinc/38/78/45/299387845.db2.gz JTFYFMRKPLXUGH-QRHKASNESA-N 2 1 306.475 2.701 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000275155293 212156585 /nfs/dbraw/zinc/15/65/85/212156585.db2.gz YJOUACZWPXBUOR-WNHJNPCNSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000275155293 212156587 /nfs/dbraw/zinc/15/65/87/212156587.db2.gz YJOUACZWPXBUOR-WNHJNPCNSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1ccsc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337290181 284069458 /nfs/dbraw/zinc/06/94/58/284069458.db2.gz CTFFQRLGKUYIHX-UHFFFAOYSA-N 2 1 309.523 2.904 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285165 296131806 /nfs/dbraw/zinc/13/18/06/296131806.db2.gz DHDODLHNYKQTCP-DOTOQJQBSA-N 2 1 321.509 2.773 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)C(C)C)cc1)C1CC1 ZINC000338432883 284112896 /nfs/dbraw/zinc/11/28/96/284112896.db2.gz ZQJZDASTGOMJPB-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1)C1CC1 ZINC000338432883 284112901 /nfs/dbraw/zinc/11/29/01/284112901.db2.gz ZQJZDASTGOMJPB-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1)C1CC1 ZINC000338432883 284112905 /nfs/dbraw/zinc/11/29/05/284112905.db2.gz ZQJZDASTGOMJPB-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000262057993 203186429 /nfs/dbraw/zinc/18/64/29/203186429.db2.gz NMJSNFKLETZFKH-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000093133072 193205733 /nfs/dbraw/zinc/20/57/33/193205733.db2.gz OLEZVVARVHRXPV-PHKMIBKXSA-N 2 1 313.489 2.802 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000093133136 193206144 /nfs/dbraw/zinc/20/61/44/193206144.db2.gz VQTYDYHIPHQIDY-GNAXCBTBSA-N 2 1 317.452 2.551 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1COc1cccnc1C ZINC000419404639 296140239 /nfs/dbraw/zinc/14/02/39/296140239.db2.gz UECYYDZGMIEFNU-KRWDZBQOSA-N 2 1 314.433 2.828 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000419404639 296140240 /nfs/dbraw/zinc/14/02/40/296140240.db2.gz UECYYDZGMIEFNU-KRWDZBQOSA-N 2 1 314.433 2.828 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000262309752 203257272 /nfs/dbraw/zinc/25/72/72/203257272.db2.gz AGDVHJYQLWZAHU-YJBOKZPZSA-N 2 1 317.477 2.531 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262682774 203380813 /nfs/dbraw/zinc/38/08/13/203380813.db2.gz YLYLABWWYKGKJT-NJAFHUGGSA-N 2 1 317.477 2.625 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564228 193270250 /nfs/dbraw/zinc/27/02/50/193270250.db2.gz IVVGOUUVWKPDSQ-MRXNPFEDSA-N 2 1 318.509 2.995 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000093564228 193270252 /nfs/dbraw/zinc/27/02/52/193270252.db2.gz IVVGOUUVWKPDSQ-MRXNPFEDSA-N 2 1 318.509 2.995 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597301 193272529 /nfs/dbraw/zinc/27/25/29/193272529.db2.gz KXVHPMIPMTZVFH-MRXNPFEDSA-N 2 1 310.445 2.994 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597301 193272531 /nfs/dbraw/zinc/27/25/31/193272531.db2.gz KXVHPMIPMTZVFH-MRXNPFEDSA-N 2 1 310.445 2.994 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1ccccc1 ZINC000340304950 284171550 /nfs/dbraw/zinc/17/15/50/284171550.db2.gz IYFITLORLVEISA-AOIWGVFYSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C[C@H]1c1ccccc1 ZINC000340304950 284171551 /nfs/dbraw/zinc/17/15/51/284171551.db2.gz IYFITLORLVEISA-AOIWGVFYSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C[C@@H]1c1ccccc1 ZINC000340304955 284171564 /nfs/dbraw/zinc/17/15/64/284171564.db2.gz IYFITLORLVEISA-ZIFCJYIRSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)C[C@@H]1c1ccccc1 ZINC000340304955 284171567 /nfs/dbraw/zinc/17/15/67/284171567.db2.gz IYFITLORLVEISA-ZIFCJYIRSA-N 2 1 310.445 2.692 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683561 193288217 /nfs/dbraw/zinc/28/82/17/193288217.db2.gz MPURIFXXOYSPHY-GOSISDBHSA-N 2 1 315.461 2.953 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683561 193288219 /nfs/dbraw/zinc/28/82/19/193288219.db2.gz MPURIFXXOYSPHY-GOSISDBHSA-N 2 1 315.461 2.953 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000340332881 284177109 /nfs/dbraw/zinc/17/71/09/284177109.db2.gz IQNVWSRXUPBGQT-QGZVFWFLSA-N 2 1 303.450 2.870 20 0 DFADMP CCSCC[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000595909830 399132223 /nfs/dbraw/zinc/13/22/23/399132223.db2.gz SQCYRGSKNJVLQK-UHFFFAOYSA-N 2 1 322.522 2.809 20 0 DFADMP [NH3+]C1CCN(c2cc[nH+]c3cc(Br)ccc32)CC1 ZINC000420142445 296159503 /nfs/dbraw/zinc/15/95/03/296159503.db2.gz KINXCILIARVANR-UHFFFAOYSA-N 2 1 306.207 2.925 20 0 DFADMP Brc1ccc2[nH+]ccc(NC[C@H]3CCC[NH2+]C3)c2c1 ZINC000420169254 296160028 /nfs/dbraw/zinc/16/00/28/296160028.db2.gz LYOICCONTIPZDI-NSHDSACASA-N 2 1 320.234 2.831 20 0 DFADMP C[C@@H]1[C@@H]([NH3+])CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000420250154 296165699 /nfs/dbraw/zinc/16/56/99/296165699.db2.gz JTDGKUOBYYLNKS-SKDRFNHKSA-N 2 1 306.207 2.923 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)C[C@@H]1[NH3+] ZINC000420285920 296169413 /nfs/dbraw/zinc/16/94/13/296169413.db2.gz VWPDXYUNXHVBAU-SKDRFNHKSA-N 2 1 306.207 2.781 20 0 DFADMP CCS[C@H]1CC[C@@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294532 296170469 /nfs/dbraw/zinc/17/04/69/296170469.db2.gz AZUAWFYBLXJIJI-OWSLCNJRSA-N 2 1 322.518 2.523 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420294663 296170558 /nfs/dbraw/zinc/17/05/58/296170558.db2.gz UBJZBIGLCBATEX-PMPSAXMXSA-N 2 1 303.450 2.690 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000420294663 296170560 /nfs/dbraw/zinc/17/05/60/296170560.db2.gz UBJZBIGLCBATEX-PMPSAXMXSA-N 2 1 303.450 2.690 20 0 DFADMP c1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)CC2CCOCC2)cc1 ZINC000420294124 296170592 /nfs/dbraw/zinc/17/05/92/296170592.db2.gz APPTYHUELWSEKH-QGZVFWFLSA-N 2 1 302.462 2.915 20 0 DFADMP OCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420294603 296170608 /nfs/dbraw/zinc/17/06/08/296170608.db2.gz BJJDXYXAGXZOHT-QFBILLFUSA-N 2 1 302.462 2.748 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+](C)CC(C)(C)C[NH3+])ccc2o1 ZINC000420294664 296170703 /nfs/dbraw/zinc/17/07/03/296170703.db2.gz UBQVGJHQYARTNU-UHFFFAOYSA-N 2 1 304.390 2.636 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420297826 296170810 /nfs/dbraw/zinc/17/08/10/296170810.db2.gz DPVNMALWLDZHHH-INIZCTEOSA-N 2 1 303.450 2.563 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420296435 296170891 /nfs/dbraw/zinc/17/08/91/296170891.db2.gz BZLWCKKQZVPURA-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420296957 296171084 /nfs/dbraw/zinc/17/10/84/296171084.db2.gz CTRGZQLPTNHASR-QGZVFWFLSA-N 2 1 314.429 2.878 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+](CCN1CC[NH2+]CC1)CC1CCC1 ZINC000420299887 296171184 /nfs/dbraw/zinc/17/11/84/296171184.db2.gz JQJWRQKXXPYKIR-QGZVFWFLSA-N 2 1 301.478 2.755 20 0 DFADMP c1ccc(CC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000420301522 296171674 /nfs/dbraw/zinc/17/16/74/296171674.db2.gz LKOFXAUGDUOWPH-MOPGFXCFSA-N 2 1 302.462 2.710 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC[NH3+])[C@H]2CCCC[C@H]12 ZINC000420302084 296171677 /nfs/dbraw/zinc/17/16/77/296171677.db2.gz LZPAKPHMULSZLA-SIRPWMCASA-N 2 1 309.498 2.519 20 0 DFADMP Cc1c(Br)cccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420299844 296171287 /nfs/dbraw/zinc/17/12/87/296171287.db2.gz BQRCXUUCFSFVTH-KCQAQPDRSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000420299844 296171288 /nfs/dbraw/zinc/17/12/88/296171288.db2.gz BQRCXUUCFSFVTH-KCQAQPDRSA-N 2 1 309.251 2.927 20 0 DFADMP CC(C)[C@@H](c1ccccc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420300383 296171397 /nfs/dbraw/zinc/17/13/97/296171397.db2.gz KFYPCUOJOSFPRL-KRWDZBQOSA-N 2 1 309.885 2.874 20 0 DFADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299288 296171480 /nfs/dbraw/zinc/17/14/80/296171480.db2.gz IRJOCBSCDZRXSB-SEVLPDGMSA-N 2 1 324.468 2.795 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420301499 296171870 /nfs/dbraw/zinc/17/18/70/296171870.db2.gz FDPRVZVOCKDJFB-HJWJTTGWSA-N 2 1 315.461 2.635 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420301499 296171871 /nfs/dbraw/zinc/17/18/71/296171871.db2.gz FDPRVZVOCKDJFB-HJWJTTGWSA-N 2 1 315.461 2.635 20 0 DFADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000420306206 296172459 /nfs/dbraw/zinc/17/24/59/296172459.db2.gz ACMDCBQHDVHJIA-KDOFPFPSSA-N 2 1 316.424 2.580 20 0 DFADMP c1ccc(C[N@H+](CC[C@H]2CCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420305535 296172550 /nfs/dbraw/zinc/17/25/50/296172550.db2.gz GPHWCQYSSNYWEF-QZTJIDSGSA-N 2 1 303.450 2.595 20 0 DFADMP COc1ccc([C@H](C[NH3+])CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000420307216 296172679 /nfs/dbraw/zinc/17/26/79/296172679.db2.gz BHHCDVFYJSABIR-MSOLQXFVSA-N 2 1 319.493 2.544 20 0 DFADMP CC(C)C[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420308101 296173112 /nfs/dbraw/zinc/17/31/12/296173112.db2.gz RZJSFWWGRHUFIL-QYZOEREBSA-N 2 1 304.478 2.818 20 0 DFADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420311589 296173301 /nfs/dbraw/zinc/17/33/01/296173301.db2.gz HEEXICYZOVKXRI-RTBURBONSA-N 2 1 307.526 2.964 20 0 DFADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420311584 296173419 /nfs/dbraw/zinc/17/34/19/296173419.db2.gz HEEXICYZOVKXRI-RBUKOAKNSA-N 2 1 307.526 2.964 20 0 DFADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000420310624 296173484 /nfs/dbraw/zinc/17/34/84/296173484.db2.gz MNTFZIQEKAFPSF-LBPRGKRZSA-N 2 1 300.805 2.932 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420313104 296173626 /nfs/dbraw/zinc/17/36/26/296173626.db2.gz INNCBRNZPOSPPT-VXGBXAGGSA-N 2 1 318.442 2.857 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420313104 296173627 /nfs/dbraw/zinc/17/36/27/296173627.db2.gz INNCBRNZPOSPPT-VXGBXAGGSA-N 2 1 318.442 2.857 20 0 DFADMP Cc1ccccc1C1CC([N@@H+](CCN2CC[NH2+]CC2)C2CC2)C1 ZINC000420312772 296173790 /nfs/dbraw/zinc/17/37/90/296173790.db2.gz XFEPCXGVUPJASG-UHFFFAOYSA-N 2 1 313.489 2.611 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000420319339 296174494 /nfs/dbraw/zinc/17/44/94/296174494.db2.gz PFZLKDKGPZZVNH-DOTOQJQBSA-N 2 1 315.417 2.871 20 0 DFADMP CC[N@H+](Cc1ccccc1C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420319347 296174522 /nfs/dbraw/zinc/17/45/22/296174522.db2.gz PGUGFCQEUBRMQH-PMACEKPBSA-N 2 1 312.457 2.748 20 0 DFADMP C[NH+](C)[C@]1(CNc2cc[nH+]cc2Br)CCSC1 ZINC000274893616 212014812 /nfs/dbraw/zinc/01/48/12/212014812.db2.gz JTYZJDADAAMIHG-LBPRGKRZSA-N 2 1 316.268 2.693 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420322490 296174743 /nfs/dbraw/zinc/17/47/43/296174743.db2.gz SMIPGNPRLINBEA-OLZOCXBDSA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000420322490 296174745 /nfs/dbraw/zinc/17/47/45/296174745.db2.gz SMIPGNPRLINBEA-OLZOCXBDSA-N 2 1 316.401 2.779 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321513 296174792 /nfs/dbraw/zinc/17/47/92/296174792.db2.gz VKOLVKONDYBIQJ-SJLPKXTDSA-N 2 1 316.445 2.531 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000420317491 296174024 /nfs/dbraw/zinc/17/40/24/296174024.db2.gz UOXJWICVVTUSKE-CVEARBPZSA-N 2 1 303.450 2.691 20 0 DFADMP COc1ccc([C@@H]2CCCCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420315919 296174231 /nfs/dbraw/zinc/17/42/31/296174231.db2.gz LWSJOIJATHZXJG-IBGZPJMESA-N 2 1 317.477 2.518 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318694 296174322 /nfs/dbraw/zinc/17/43/22/296174322.db2.gz OKELVEGNRQRVOR-OALUTQOASA-N 3 1 307.526 2.820 20 0 DFADMP CCC[C@H](C[NH+]1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000271739364 209171481 /nfs/dbraw/zinc/17/14/81/209171481.db2.gz QCRSFYIYTHRIJP-GOSISDBHSA-N 2 1 304.478 2.959 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000420324379 296175169 /nfs/dbraw/zinc/17/51/69/296175169.db2.gz VCOQNJQYRHADKY-RHSMWYFYSA-N 2 1 304.434 2.840 20 0 DFADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325546 296175801 /nfs/dbraw/zinc/17/58/01/296175801.db2.gz IUMXWAMXGCLNCQ-MAUKXSAKSA-N 2 1 318.436 2.890 20 0 DFADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420327853 296176030 /nfs/dbraw/zinc/17/60/30/296176030.db2.gz YZNAZGGOILXWTI-GOEBONIOSA-N 2 1 302.418 2.594 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328753 296176064 /nfs/dbraw/zinc/17/60/64/296176064.db2.gz MYOXTHYLSKDAEI-INIZCTEOSA-N 2 1 322.880 2.960 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343438 296177896 /nfs/dbraw/zinc/17/78/96/296177896.db2.gz ZBDBYSCMJWXTDU-QZTJIDSGSA-N 2 1 316.445 2.673 20 0 DFADMP COc1ccc(C)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000062252954 399167940 /nfs/dbraw/zinc/16/79/40/399167940.db2.gz LZSURZYEZWKVQT-CALCHBBNSA-N 2 1 320.477 2.983 20 0 DFADMP c1ccc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420344595 296178045 /nfs/dbraw/zinc/17/80/45/296178045.db2.gz UEYGWJOMNSQKSI-JKSUJKDBSA-N 2 1 312.417 2.558 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1 ZINC000622009685 399168453 /nfs/dbraw/zinc/16/84/53/399168453.db2.gz GGLHTMFECPRQCE-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000420354825 296179116 /nfs/dbraw/zinc/17/91/16/296179116.db2.gz DNCUUCOIIJOGBP-INIZCTEOSA-N 2 1 318.461 2.687 20 0 DFADMP Fc1ccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CCOCC2)cc1 ZINC000420360913 296179948 /nfs/dbraw/zinc/17/99/48/296179948.db2.gz MNHLFLDCRXZEHH-OAHLLOKOSA-N 2 1 306.425 2.806 20 0 DFADMP CCC[C@@H](NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420365961 296180703 /nfs/dbraw/zinc/18/07/03/296180703.db2.gz QPCQGXBULZSHJQ-SJORKVTESA-N 2 1 317.477 2.622 20 0 DFADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000282561015 217090001 /nfs/dbraw/zinc/09/00/01/217090001.db2.gz DKIHBZGKENNVJS-AWEZNQCLSA-N 2 1 310.869 2.707 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367884 296181052 /nfs/dbraw/zinc/18/10/52/296181052.db2.gz WKGGAYZYCGCXFA-IAGOWNOFSA-N 2 1 318.461 2.687 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000420366921 296181156 /nfs/dbraw/zinc/18/11/56/296181156.db2.gz VFYGPDSHUGDERZ-MRXNPFEDSA-N 2 1 314.404 2.935 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000420366921 296181158 /nfs/dbraw/zinc/18/11/58/296181158.db2.gz VFYGPDSHUGDERZ-MRXNPFEDSA-N 2 1 314.404 2.935 20 0 DFADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420368445 296181657 /nfs/dbraw/zinc/18/16/57/296181657.db2.gz WXKIAIOCPGARRJ-LLVKDONJSA-N 2 1 321.248 2.668 20 0 DFADMP C[N@H+](CCOCC[NH3+])Cc1ccc(Br)cc1Cl ZINC000420375860 296182718 /nfs/dbraw/zinc/18/27/18/296182718.db2.gz PYPLOWKHOPAVRI-UHFFFAOYSA-N 2 1 321.646 2.510 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Br)cc1Cl ZINC000420375860 296182721 /nfs/dbraw/zinc/18/27/21/296182721.db2.gz PYPLOWKHOPAVRI-UHFFFAOYSA-N 2 1 321.646 2.510 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420379888 296183575 /nfs/dbraw/zinc/18/35/75/296183575.db2.gz BMJKHKQBGBJKDG-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420379888 296183576 /nfs/dbraw/zinc/18/35/76/296183576.db2.gz BMJKHKQBGBJKDG-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCc2ccccc2[C@@H]1Cc1ccccc1 ZINC000420380470 296183687 /nfs/dbraw/zinc/18/36/87/296183687.db2.gz WTVSOYFUEHFFRK-FQEVSTJZSA-N 2 1 310.441 2.804 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)nc1 ZINC000271717755 209152712 /nfs/dbraw/zinc/15/27/12/209152712.db2.gz CQBFSUFXTNPMHF-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP CC(C)N1CC[C@H]([NH2+]C[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000420404591 296186788 /nfs/dbraw/zinc/18/67/88/296186788.db2.gz MGLPEOCQXMQSJO-KNXALSJPSA-N 2 1 313.848 2.940 20 0 DFADMP O=C(C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCC1CCCCC1 ZINC000420403809 296186975 /nfs/dbraw/zinc/18/69/75/296186975.db2.gz RSVIHZWWIWQAEO-ROUUACIJSA-N 2 1 321.509 2.537 20 0 DFADMP O=C(C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCCC1CCCCC1 ZINC000420403809 296186977 /nfs/dbraw/zinc/18/69/77/296186977.db2.gz RSVIHZWWIWQAEO-ROUUACIJSA-N 2 1 321.509 2.537 20 0 DFADMP C[C@H]1C[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC[N@H+]1C ZINC000614255746 399191841 /nfs/dbraw/zinc/19/18/41/399191841.db2.gz WGFKBTLWZDUCKJ-GJZGRUSLSA-N 2 1 324.428 2.916 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)s2)cn1 ZINC000282802933 217260180 /nfs/dbraw/zinc/26/01/80/217260180.db2.gz NIQYCOMSBSIDKH-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)s2)cn1 ZINC000282802933 217260183 /nfs/dbraw/zinc/26/01/83/217260183.db2.gz NIQYCOMSBSIDKH-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP CC[NH+](CC)CCCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000264869124 284366976 /nfs/dbraw/zinc/36/69/76/284366976.db2.gz GIKSDYQLPYCPQH-GOSISDBHSA-N 2 1 319.493 2.918 20 0 DFADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000614331281 399209707 /nfs/dbraw/zinc/20/97/07/399209707.db2.gz PJXYWLCHEVHXIG-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]1C[NH+](C)CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614331281 399209711 /nfs/dbraw/zinc/20/97/11/399209711.db2.gz PJXYWLCHEVHXIG-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]1C[NH+](C)CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614331281 399209714 /nfs/dbraw/zinc/20/97/14/399209714.db2.gz PJXYWLCHEVHXIG-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H](C[NH+](C)CC[C@@H]1CCCO1)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342607936 284379299 /nfs/dbraw/zinc/37/92/99/284379299.db2.gz RXWBECQQXYLWGV-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](C[NH+](C)CC[C@H]1CCCO1)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342607936 284379301 /nfs/dbraw/zinc/37/93/01/284379301.db2.gz RXWBECQQXYLWGV-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](C[NH+](C)CC[C@H]1CCCO1)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342607936 284379305 /nfs/dbraw/zinc/37/93/05/284379305.db2.gz RXWBECQQXYLWGV-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[NH+]1CCC(NCc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000017314088 182082742 /nfs/dbraw/zinc/08/27/42/182082742.db2.gz GUFCJXFOAPSIIO-UHFFFAOYSA-N 2 1 310.825 2.685 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000622172513 399213923 /nfs/dbraw/zinc/21/39/23/399213923.db2.gz NRJKVPBFQALRNM-SJORKVTESA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000622172513 399213928 /nfs/dbraw/zinc/21/39/28/399213928.db2.gz NRJKVPBFQALRNM-SJORKVTESA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000622172513 399213932 /nfs/dbraw/zinc/21/39/32/399213932.db2.gz NRJKVPBFQALRNM-SJORKVTESA-N 2 1 321.509 2.774 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)c2C1 ZINC000288519867 220198994 /nfs/dbraw/zinc/19/89/94/220198994.db2.gz CQHZBPIDPSZNAV-UKRRQHHQSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+][C@@H]3C)c2C1 ZINC000288519867 220198998 /nfs/dbraw/zinc/19/89/98/220198998.db2.gz CQHZBPIDPSZNAV-UKRRQHHQSA-N 2 1 301.434 2.739 20 0 DFADMP C[C@H]1SCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420911927 296211101 /nfs/dbraw/zinc/21/11/01/296211101.db2.gz GWVYVPOEEADLDP-JKSUJKDBSA-N 2 1 320.502 2.845 20 0 DFADMP C[C@H]1SCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420911927 296211102 /nfs/dbraw/zinc/21/11/02/296211102.db2.gz GWVYVPOEEADLDP-JKSUJKDBSA-N 2 1 320.502 2.845 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000608061170 399229327 /nfs/dbraw/zinc/22/93/27/399229327.db2.gz BYVOWYCAOPGVIC-CZUORRHYSA-N 2 1 314.433 2.658 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000608061169 399229557 /nfs/dbraw/zinc/22/95/57/399229557.db2.gz BYVOWYCAOPGVIC-CJNGLKHVSA-N 2 1 314.433 2.658 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCC2(CCC2)C1 ZINC000420927944 296213631 /nfs/dbraw/zinc/21/36/31/296213631.db2.gz APMJGJIQKDCYRB-UHFFFAOYSA-N 2 1 300.446 2.895 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCC2(CCC2)C1 ZINC000420927944 296213632 /nfs/dbraw/zinc/21/36/32/296213632.db2.gz APMJGJIQKDCYRB-UHFFFAOYSA-N 2 1 300.446 2.895 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000420939320 296215370 /nfs/dbraw/zinc/21/53/70/296215370.db2.gz MYGRPVLLEMJTDA-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000601275763 399268764 /nfs/dbraw/zinc/26/87/64/399268764.db2.gz DUKZQJWHBZPRDM-JYMZVQIXSA-N 2 1 322.493 2.961 20 0 DFADMP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622738496 399269547 /nfs/dbraw/zinc/26/95/47/399269547.db2.gz UTDJUWFVHIYOFU-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C2CC2)c1 ZINC000421360488 296247809 /nfs/dbraw/zinc/24/78/09/296247809.db2.gz ZZFIVWPQRNXLHL-UHFFFAOYSA-N 2 1 301.478 2.633 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327698 399278570 /nfs/dbraw/zinc/27/85/70/399278570.db2.gz ZEFKICCBORPBGN-OLZOCXBDSA-N 2 1 316.401 2.636 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601327698 399278572 /nfs/dbraw/zinc/27/85/72/399278572.db2.gz ZEFKICCBORPBGN-OLZOCXBDSA-N 2 1 316.401 2.636 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000421370204 296249834 /nfs/dbraw/zinc/24/98/34/296249834.db2.gz WRMFODBHBCFVLD-IBGZPJMESA-N 2 1 302.462 2.891 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCc3cnn(C)c3)C2)CC1 ZINC000623136826 399328125 /nfs/dbraw/zinc/32/81/25/399328125.db2.gz VYLKNWJTSUYULB-LJQANCHMSA-N 2 1 318.509 2.797 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnn(CCOC)c1 ZINC000344773489 284686919 /nfs/dbraw/zinc/68/69/19/284686919.db2.gz NSDOLGXFGWSDCA-ROUUACIJSA-N 2 1 322.497 2.520 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421820934 296277079 /nfs/dbraw/zinc/27/70/79/296277079.db2.gz ONEQGPHTPWXGMP-CYBMUJFWSA-N 2 1 314.857 2.968 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1OC ZINC000421820934 296277080 /nfs/dbraw/zinc/27/70/80/296277080.db2.gz ONEQGPHTPWXGMP-CYBMUJFWSA-N 2 1 314.857 2.968 20 0 DFADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@@H]1CCCC[N@H+]1C)CC2 ZINC000615446069 399338126 /nfs/dbraw/zinc/33/81/26/399338126.db2.gz ZBTFNKWAOJQFJP-KRWDZBQOSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000623232220 399343024 /nfs/dbraw/zinc/34/30/24/399343024.db2.gz AFZCRMWEUFTXHO-UHFFFAOYSA-N 2 1 322.456 2.804 20 0 DFADMP CC(C)c1ncc2c(n1)CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000623232220 399343027 /nfs/dbraw/zinc/34/30/27/399343027.db2.gz AFZCRMWEUFTXHO-UHFFFAOYSA-N 2 1 322.456 2.804 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n(C)n1 ZINC000284569668 218082188 /nfs/dbraw/zinc/08/21/88/218082188.db2.gz YRTNKTMABOFIFL-DFQSSKMNSA-N 2 1 324.472 2.729 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC[N@@H+]1C ZINC000273914444 211168736 /nfs/dbraw/zinc/16/87/36/211168736.db2.gz CUJBWTJWCSRUOJ-ZTRSQXPZSA-N 2 1 302.462 2.889 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC[N@H+]1C ZINC000273914444 211168740 /nfs/dbraw/zinc/16/87/40/211168740.db2.gz CUJBWTJWCSRUOJ-ZTRSQXPZSA-N 2 1 302.462 2.889 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000615600251 399359194 /nfs/dbraw/zinc/35/91/94/399359194.db2.gz BPOAXKRNPRLUPN-IBGZPJMESA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1)C1CCCCC1 ZINC000615600251 399359197 /nfs/dbraw/zinc/35/91/97/399359197.db2.gz BPOAXKRNPRLUPN-IBGZPJMESA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1)C1CCCCC1 ZINC000615600251 399359200 /nfs/dbraw/zinc/35/92/00/399359200.db2.gz BPOAXKRNPRLUPN-IBGZPJMESA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)CC1(C)C ZINC000623342183 399366516 /nfs/dbraw/zinc/36/65/16/399366516.db2.gz KVOLJGWKKCZQRU-HNNXBMFYSA-N 2 1 300.450 2.889 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615619308 399364403 /nfs/dbraw/zinc/36/44/03/399364403.db2.gz MKGOJXDNWIZDLM-IBGZPJMESA-N 2 1 323.525 2.833 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615619309 399364464 /nfs/dbraw/zinc/36/44/64/399364464.db2.gz MKGOJXDNWIZDLM-LJQANCHMSA-N 2 1 323.525 2.833 20 0 DFADMP COc1cccc([C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)c1 ZINC000623335879 399364721 /nfs/dbraw/zinc/36/47/21/399364721.db2.gz JUWMJCOSLPKFGR-FUHWJXTLSA-N 2 1 319.493 2.760 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347625 399369015 /nfs/dbraw/zinc/36/90/15/399369015.db2.gz GEAZEJPFWRCMEX-ZBFHGGJFSA-N 2 1 321.534 2.957 20 0 DFADMP CCN1CCC([N@@H+]2CCCN(C(=O)CCCC(C)C)CC2)CC1 ZINC000422021376 296291884 /nfs/dbraw/zinc/29/18/84/296291884.db2.gz NDNDCGNECCHNIH-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP CCN1CCC([N@H+]2CCCN(C(=O)CCCC(C)C)CC2)CC1 ZINC000422021376 296291885 /nfs/dbraw/zinc/29/18/85/296291885.db2.gz NDNDCGNECCHNIH-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccc(F)c(F)c1N(C)C)C[NH+]1CCCC1 ZINC000623362835 399372741 /nfs/dbraw/zinc/37/27/41/399372741.db2.gz MQEXMBIHQLIMQU-ZDUSSCGKSA-N 2 1 311.420 2.852 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1(C)C ZINC000623410933 399382854 /nfs/dbraw/zinc/38/28/54/399382854.db2.gz MKACKZMJGLFOPW-MRXNPFEDSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623435367 399388838 /nfs/dbraw/zinc/38/88/38/399388838.db2.gz BOQUEYVMPSMEDI-BRWVUGGUSA-N 2 1 323.525 2.732 20 0 DFADMP COC(=O)c1ccc(CN2CCC[C@H](n3ccnc3)C2)cc1F ZINC000610681550 399393144 /nfs/dbraw/zinc/39/31/44/399393144.db2.gz XNEBFFUSEGTMIB-AWEZNQCLSA-N 2 1 317.364 2.646 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)CC1(C)C ZINC000623452630 399393413 /nfs/dbraw/zinc/39/34/13/399393413.db2.gz KBBFTNPRDVYLGE-GJZGRUSLSA-N 2 1 304.434 2.679 20 0 DFADMP c1cncc(COc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)c1 ZINC000422564116 296313063 /nfs/dbraw/zinc/31/30/63/296313063.db2.gz VIFIEZHVDRVUMK-UHFFFAOYSA-N 2 1 323.440 2.989 20 0 DFADMP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268854116 207022409 /nfs/dbraw/zinc/02/24/09/207022409.db2.gz YWVKZEORZIAXDN-LPHOPBHVSA-N 2 1 312.461 2.692 20 0 DFADMP Cc1nccn1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268854116 207022415 /nfs/dbraw/zinc/02/24/15/207022415.db2.gz YWVKZEORZIAXDN-LPHOPBHVSA-N 2 1 312.461 2.692 20 0 DFADMP OC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000268856692 207024231 /nfs/dbraw/zinc/02/42/31/207024231.db2.gz DWZMVQKSVRSYLE-UHFFFAOYSA-N 2 1 302.462 2.588 20 0 DFADMP c1ccc2c(c1)CC[C@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268880269 207051384 /nfs/dbraw/zinc/05/13/84/207051384.db2.gz MMKXSXYTBACCME-GOSISDBHSA-N 2 1 300.446 2.909 20 0 DFADMP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000268881827 207052451 /nfs/dbraw/zinc/05/24/51/207052451.db2.gz IDJYBVONURPHSR-ILRDRHFLSA-N 2 1 320.477 2.826 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623484970 399399746 /nfs/dbraw/zinc/39/97/46/399399746.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484970 399399748 /nfs/dbraw/zinc/39/97/48/399399748.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484970 399399750 /nfs/dbraw/zinc/39/97/50/399399750.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484970 399399752 /nfs/dbraw/zinc/39/97/52/399399752.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484970 399399753 /nfs/dbraw/zinc/39/97/53/399399753.db2.gz JBMAHAJTQGCWRQ-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422640027 296317219 /nfs/dbraw/zinc/31/72/19/296317219.db2.gz UNYNRRNFOUTDJM-GUTXKFCHSA-N 2 1 321.440 2.768 20 0 DFADMP C[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422699052 296318137 /nfs/dbraw/zinc/31/81/37/296318137.db2.gz CHOCCBAGXKSAIT-QAPCUYQASA-N 2 1 301.478 2.553 20 0 DFADMP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)nc21 ZINC000268916848 207082958 /nfs/dbraw/zinc/08/29/58/207082958.db2.gz JEAFCGQNSAVOQN-QLFBSQMISA-N 2 1 301.434 2.997 20 0 DFADMP CC(C)(CN[C@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422709961 296319915 /nfs/dbraw/zinc/31/99/15/296319915.db2.gz ZZWWFQKFKNOPRR-AEFFLSMTSA-N 2 1 301.478 2.540 20 0 DFADMP CC(C)(CN[C@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422709961 296319917 /nfs/dbraw/zinc/31/99/17/296319917.db2.gz ZZWWFQKFKNOPRR-AEFFLSMTSA-N 2 1 301.478 2.540 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4nsnc43)CC[C@@H]21 ZINC000268946439 207108912 /nfs/dbraw/zinc/10/89/12/207108912.db2.gz BHKACUJZQOHLMN-DOMZBBRYSA-N 2 1 302.447 2.607 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4nsnc43)CC[C@@H]21 ZINC000268946439 207108916 /nfs/dbraw/zinc/10/89/16/207108916.db2.gz BHKACUJZQOHLMN-DOMZBBRYSA-N 2 1 302.447 2.607 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4nsnc43)CC[C@@H]21 ZINC000268946439 207108921 /nfs/dbraw/zinc/10/89/21/207108921.db2.gz BHKACUJZQOHLMN-DOMZBBRYSA-N 2 1 302.447 2.607 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4nsnc43)CC[C@@H]21 ZINC000268946439 207108925 /nfs/dbraw/zinc/10/89/25/207108925.db2.gz BHKACUJZQOHLMN-DOMZBBRYSA-N 2 1 302.447 2.607 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)cc1OC1CCCC1 ZINC000422716594 296320999 /nfs/dbraw/zinc/32/09/99/296320999.db2.gz UNNZBOGNXYOVOK-CYBMUJFWSA-N 2 1 304.434 2.714 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953999 207118896 /nfs/dbraw/zinc/11/88/96/207118896.db2.gz SYBVQBHRNDBFCA-WFASDCNBSA-N 2 1 304.463 2.853 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953999 207118900 /nfs/dbraw/zinc/11/89/00/207118900.db2.gz SYBVQBHRNDBFCA-WFASDCNBSA-N 2 1 304.463 2.853 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953999 207118904 /nfs/dbraw/zinc/11/89/04/207118904.db2.gz SYBVQBHRNDBFCA-WFASDCNBSA-N 2 1 304.463 2.853 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723535 296321633 /nfs/dbraw/zinc/32/16/33/296321633.db2.gz RSPXXKIXEJVWNO-FZKQIMNGSA-N 2 1 323.431 2.517 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000268962830 207126858 /nfs/dbraw/zinc/12/68/58/207126858.db2.gz GBNFZUKTSJTCKW-IAGOWNOFSA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000268962830 207126863 /nfs/dbraw/zinc/12/68/63/207126863.db2.gz GBNFZUKTSJTCKW-IAGOWNOFSA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000268962830 207126865 /nfs/dbraw/zinc/12/68/65/207126865.db2.gz GBNFZUKTSJTCKW-IAGOWNOFSA-N 2 1 318.461 2.880 20 0 DFADMP C[N@H+]1CC[C@@H](NCc2c(F)cccc2-n2cccn2)CC1(C)C ZINC000623542185 399412582 /nfs/dbraw/zinc/41/25/82/399412582.db2.gz QHHBLOVJMBICRU-CQSZACIVSA-N 2 1 316.424 2.974 20 0 DFADMP CCN(CC)C[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720741 296321249 /nfs/dbraw/zinc/32/12/49/296321249.db2.gz SZTQGYUOOIRPRX-VDZJLULYSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268995772 207153276 /nfs/dbraw/zinc/15/32/76/207153276.db2.gz KNJPWHQLMCOFQJ-HZPDHXFCSA-N 2 1 307.482 2.618 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732421 296323362 /nfs/dbraw/zinc/32/33/62/296323362.db2.gz PULIBTGBJWZEKA-IEBWSBKVSA-N 3 1 317.477 2.564 20 0 DFADMP C[C@H]1C[C@H](NC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000623634929 399432628 /nfs/dbraw/zinc/43/26/28/399432628.db2.gz IGYKJEJUIXMDDT-QXAKKESOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](NC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000623634929 399432633 /nfs/dbraw/zinc/43/26/33/399432633.db2.gz IGYKJEJUIXMDDT-QXAKKESOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCCN2C)CCN1Cc1ccccc1 ZINC000623634929 399432636 /nfs/dbraw/zinc/43/26/36/399432636.db2.gz IGYKJEJUIXMDDT-QXAKKESOSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000623656998 399436521 /nfs/dbraw/zinc/43/65/21/399436521.db2.gz HJJWGULISIOBRX-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)cnc21 ZINC000623656275 399436583 /nfs/dbraw/zinc/43/65/83/399436583.db2.gz QYENPSWPPHPFJJ-HNNXBMFYSA-N 2 1 315.465 2.834 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623733398 399452881 /nfs/dbraw/zinc/45/28/81/399452881.db2.gz LDFCBJQUYJOXDY-YFHUEUNASA-N 2 1 318.465 2.510 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1 ZINC000269190303 207310907 /nfs/dbraw/zinc/31/09/07/207310907.db2.gz KRAOAXGBKXMWGQ-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000269184398 207302680 /nfs/dbraw/zinc/30/26/80/207302680.db2.gz FOIYHHAMHNJQOS-IBGZPJMESA-N 2 1 323.440 2.964 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000269184398 207302683 /nfs/dbraw/zinc/30/26/83/207302683.db2.gz FOIYHHAMHNJQOS-IBGZPJMESA-N 2 1 323.440 2.964 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1c[nH+]ccc1N ZINC000422741144 296324362 /nfs/dbraw/zinc/32/43/62/296324362.db2.gz OFTQZHCPXNWHIN-ZOBUZTSGSA-N 2 1 310.445 2.980 20 0 DFADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000422740112 296324427 /nfs/dbraw/zinc/32/44/27/296324427.db2.gz MIOZGWMBKJHPEN-MOPGFXCFSA-N 3 1 301.478 2.888 20 0 DFADMP COC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000611409343 399471568 /nfs/dbraw/zinc/47/15/68/399471568.db2.gz NGESGVXAMKPZGK-AEFFLSMTSA-N 2 1 318.461 2.830 20 0 DFADMP COC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000611409343 399471570 /nfs/dbraw/zinc/47/15/70/399471570.db2.gz NGESGVXAMKPZGK-AEFFLSMTSA-N 2 1 318.461 2.830 20 0 DFADMP COC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000611409345 399472153 /nfs/dbraw/zinc/47/21/53/399472153.db2.gz NGESGVXAMKPZGK-SJLPKXTDSA-N 2 1 318.461 2.830 20 0 DFADMP COC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000611409345 399472155 /nfs/dbraw/zinc/47/21/55/399472155.db2.gz NGESGVXAMKPZGK-SJLPKXTDSA-N 2 1 318.461 2.830 20 0 DFADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000422740113 296324594 /nfs/dbraw/zinc/32/45/94/296324594.db2.gz MIOZGWMBKJHPEN-OALUTQOASA-N 3 1 301.478 2.888 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000422748921 296325558 /nfs/dbraw/zinc/32/55/58/296325558.db2.gz WTJRSZIWIMTEJO-CXAGYDPISA-N 2 1 309.885 2.920 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1c[nH+]ccc1N ZINC000422745616 296325270 /nfs/dbraw/zinc/32/52/70/296325270.db2.gz MOTIONFMMSJOKG-BDJLRTHQSA-N 2 1 320.387 2.726 20 0 DFADMP COc1cccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000422754341 296327244 /nfs/dbraw/zinc/32/72/44/296327244.db2.gz GVWSXQPOAKWYCF-VKJFTORMSA-N 2 1 305.466 2.548 20 0 DFADMP COc1cccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000422754340 296327346 /nfs/dbraw/zinc/32/73/46/296327346.db2.gz GVWSXQPOAKWYCF-RKVPGOIHSA-N 2 1 305.466 2.548 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422760021 296327965 /nfs/dbraw/zinc/32/79/65/296327965.db2.gz LKAQVLAVVWGNFV-MDZRGWNJSA-N 2 1 317.477 2.784 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422760019 296327998 /nfs/dbraw/zinc/32/79/98/296327998.db2.gz LKAQVLAVVWGNFV-GPMSIDNRSA-N 2 1 317.477 2.784 20 0 DFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC000112698101 194505045 /nfs/dbraw/zinc/50/50/45/194505045.db2.gz YOIMWJGYFZYBJG-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422756732 296327794 /nfs/dbraw/zinc/32/77/94/296327794.db2.gz HZOVZWAFGGYNTK-VBNZEHGJSA-N 2 1 317.458 2.652 20 0 DFADMP CCOc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OCC ZINC000422757555 296327825 /nfs/dbraw/zinc/32/78/25/296327825.db2.gz JQJFVCWCYJIWOX-ZBFHGGJFSA-N 2 1 306.450 2.614 20 0 DFADMP CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)[C@H]1CCCC[NH2+]1 ZINC000422770727 296330303 /nfs/dbraw/zinc/33/03/03/296330303.db2.gz XBONOAITORNRIL-IAGOWNOFSA-N 2 1 306.450 2.757 20 0 DFADMP CC[C@H](CCc1ccccc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000623871802 399484570 /nfs/dbraw/zinc/48/45/70/399484570.db2.gz NAVYKLVAXSLNPB-GOSISDBHSA-N 2 1 304.478 2.834 20 0 DFADMP COc1ccc([C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422776795 296331003 /nfs/dbraw/zinc/33/10/03/296331003.db2.gz DMSKEPSXTDHEDV-JZGRTCEGSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422773239 296330602 /nfs/dbraw/zinc/33/06/02/296330602.db2.gz ZNDYSQQWJQPQAY-ZNMIVQPWSA-N 2 1 304.482 2.901 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000422772678 296330667 /nfs/dbraw/zinc/33/06/67/296330667.db2.gz SRWDMIGSGCRTIV-LNLFQRSKSA-N 2 1 303.494 2.799 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)O[C@H](C)C2 ZINC000422777726 296331615 /nfs/dbraw/zinc/33/16/15/296331615.db2.gz GIJPCPFEKGVBJU-CKEIUWERSA-N 2 1 318.461 2.886 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC(C)CC2)CC1 ZINC000052209608 425884013 /nfs/dbraw/zinc/88/40/13/425884013.db2.gz DDUMUKUVVZKSQL-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)[C@H]1CCCC[NH2+]1 ZINC000422787429 296332758 /nfs/dbraw/zinc/33/27/58/296332758.db2.gz MAXVYZHCFIAINW-OWCLPIDISA-N 2 1 306.450 2.973 20 0 DFADMP [NH3+][C@H]1C[C@@H](NCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422805650 296336330 /nfs/dbraw/zinc/33/63/30/296336330.db2.gz MKZJXQIKNKCMBL-VQTJNVASSA-N 2 1 307.441 2.779 20 0 DFADMP CC[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422807020 296336770 /nfs/dbraw/zinc/33/67/70/296336770.db2.gz LOXRJYYPRCDPFI-UXHICEINSA-N 2 1 315.505 2.945 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809196 296336885 /nfs/dbraw/zinc/33/68/85/296336885.db2.gz POXRMLIKEYNQHW-JXFKEZNVSA-N 3 1 311.473 2.796 20 0 DFADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809196 296336886 /nfs/dbraw/zinc/33/68/86/296336886.db2.gz POXRMLIKEYNQHW-JXFKEZNVSA-N 2 1 311.473 2.796 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422807735 296336742 /nfs/dbraw/zinc/33/67/42/296336742.db2.gz PHWRQJABCGKPEW-AUUYWEPGSA-N 2 1 311.429 2.693 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422811095 296337376 /nfs/dbraw/zinc/33/73/76/296337376.db2.gz TZLNCYDFXTYYJU-GUDVDZBRSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843498 399506870 /nfs/dbraw/zinc/50/68/70/399506870.db2.gz ORVUALLYXUNBGE-FMKPAKJESA-N 2 1 311.429 2.693 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843498 399506874 /nfs/dbraw/zinc/50/68/74/399506874.db2.gz ORVUALLYXUNBGE-FMKPAKJESA-N 2 1 311.429 2.693 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422823523 296339726 /nfs/dbraw/zinc/33/97/26/296339726.db2.gz DNLXBOSDDPVWIO-APWZRJJASA-N 2 1 324.472 2.730 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422823526 296339764 /nfs/dbraw/zinc/33/97/64/296339764.db2.gz DNLXBOSDDPVWIO-VQIMIIECSA-N 2 1 324.472 2.730 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(OC2CCCC2)c1 ZINC000422825951 296339925 /nfs/dbraw/zinc/33/99/25/296339925.db2.gz QGRDKSIKQRWTFO-ZDUSSCGKSA-N 2 1 304.434 2.714 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422830113 296340974 /nfs/dbraw/zinc/34/09/74/296340974.db2.gz IAGNRXJILFKMTI-MSOLQXFVSA-N 2 1 312.461 2.733 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCCC[NH2+]1 ZINC000422829510 296340634 /nfs/dbraw/zinc/34/06/34/296340634.db2.gz UPHIIGACIKBNKS-UKRRQHHQSA-N 2 1 304.434 2.813 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422841298 296342822 /nfs/dbraw/zinc/34/28/22/296342822.db2.gz VOKLGYNWZWRPFU-VYDXJSESSA-N 2 1 307.507 2.548 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccncc2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347066290 285009999 /nfs/dbraw/zinc/00/99/99/285009999.db2.gz LTBHHSPNFIWTTG-YIONKMFJSA-N 2 1 314.458 2.920 20 0 DFADMP C[N@@H+](Cc1cnc(-c2ccncc2)s1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347066290 285010000 /nfs/dbraw/zinc/01/00/00/285010000.db2.gz LTBHHSPNFIWTTG-YIONKMFJSA-N 2 1 314.458 2.920 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(OCC(F)(F)F)c1 ZINC000422866763 296347054 /nfs/dbraw/zinc/34/70/54/296347054.db2.gz QZSXODZCBMNBRG-LLVKDONJSA-N 2 1 302.340 2.634 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)C1 ZINC000422857810 296345867 /nfs/dbraw/zinc/34/58/67/296345867.db2.gz HYKOURHEBXZHEX-MRXNPFEDSA-N 3 1 301.478 2.760 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(CNC3CC[NH2+]CC3)cc2)C1 ZINC000422857810 296345870 /nfs/dbraw/zinc/34/58/70/296345870.db2.gz HYKOURHEBXZHEX-MRXNPFEDSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC3CC[NH2+]CC3)cc2)C1 ZINC000422857810 296345872 /nfs/dbraw/zinc/34/58/72/296345872.db2.gz HYKOURHEBXZHEX-MRXNPFEDSA-N 2 1 301.478 2.760 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422859727 296346203 /nfs/dbraw/zinc/34/62/03/296346203.db2.gz KETLYURVPGPJSM-IRXDYDNUSA-N 2 1 301.434 2.563 20 0 DFADMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000422872822 296347908 /nfs/dbraw/zinc/34/79/08/296347908.db2.gz ITQQVDPBRSXMMU-RNIPGJKVSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000422872822 296347912 /nfs/dbraw/zinc/34/79/12/296347912.db2.gz ITQQVDPBRSXMMU-RNIPGJKVSA-N 2 1 301.478 2.627 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422865412 296347123 /nfs/dbraw/zinc/34/71/23/296347123.db2.gz OQRIYOBXPDOHMD-KRWDZBQOSA-N 2 1 306.450 2.642 20 0 DFADMP CCOCCOCc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422867546 296347474 /nfs/dbraw/zinc/34/74/74/296347474.db2.gz SHDROFAMKOFHPI-RBUKOAKNSA-N 2 1 320.477 2.989 20 0 DFADMP C[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422873757 296348379 /nfs/dbraw/zinc/34/83/79/296348379.db2.gz MBFOMZVZAUHZIA-KCITZHQASA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422874396 296348480 /nfs/dbraw/zinc/34/84/80/296348480.db2.gz CSPHVGVVGYHHOG-CVEARBPZSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422874396 296348481 /nfs/dbraw/zinc/34/84/81/296348481.db2.gz CSPHVGVVGYHHOG-CVEARBPZSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422874396 296348482 /nfs/dbraw/zinc/34/84/82/296348482.db2.gz CSPHVGVVGYHHOG-CVEARBPZSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875681 296348712 /nfs/dbraw/zinc/34/87/12/296348712.db2.gz FOTVOAFIVVPIHH-ZACQAIPSSA-N 2 1 315.505 2.862 20 0 DFADMP CC[N@@H+](CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422874771 296348741 /nfs/dbraw/zinc/34/87/41/296348741.db2.gz BBGCMODYNUBBAU-RTBURBONSA-N 2 1 317.477 2.562 20 0 DFADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422875194 296348800 /nfs/dbraw/zinc/34/88/00/296348800.db2.gz CEFHALFCCQVDGY-DGCLKSJQSA-N 2 1 314.376 2.569 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347392388 285028484 /nfs/dbraw/zinc/02/84/84/285028484.db2.gz LCDJNMKAGBCWCY-SCTDSRPQSA-N 2 1 324.509 2.767 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)[C@H]1CCCC[NH2+]1 ZINC000422879086 296349399 /nfs/dbraw/zinc/34/93/99/296349399.db2.gz UKSLUBAWWFUYLX-VNQPRFMTSA-N 2 1 322.884 2.824 20 0 DFADMP CC[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879653 296349487 /nfs/dbraw/zinc/34/94/87/296349487.db2.gz VVJPCLYEIAVLRK-WNHJNPCNSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H](CO)[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](C)c1ccccc1 ZINC000347410319 285039148 /nfs/dbraw/zinc/03/91/48/285039148.db2.gz AKHRWUIXMYXYRM-LMMKCTJWSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](CO)[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](C)c1ccccc1 ZINC000347410319 285039149 /nfs/dbraw/zinc/03/91/49/285039149.db2.gz AKHRWUIXMYXYRM-LMMKCTJWSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](CO)[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](C)c1ccccc1 ZINC000347410319 285039152 /nfs/dbraw/zinc/03/91/52/285039152.db2.gz AKHRWUIXMYXYRM-LMMKCTJWSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422888865 296351328 /nfs/dbraw/zinc/35/13/28/296351328.db2.gz OEYALVACLPCKBF-BZSNNMDCSA-N 2 1 321.509 2.678 20 0 DFADMP CC[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000422896441 296352242 /nfs/dbraw/zinc/35/22/42/296352242.db2.gz IHHCMPWKGNDBHF-MSOLQXFVSA-N 2 1 319.493 2.729 20 0 DFADMP COc1ccc(OCCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422895582 296352303 /nfs/dbraw/zinc/35/23/03/296352303.db2.gz GGKBGWZRSHMNHD-CYBMUJFWSA-N 2 1 301.390 2.622 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000422904434 296353940 /nfs/dbraw/zinc/35/39/40/296353940.db2.gz PYCPUPZVOZJRON-WBVHZDCISA-N 3 1 316.424 2.927 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422919150 296355824 /nfs/dbraw/zinc/35/58/24/296355824.db2.gz JOMNTWHCEFJFJZ-ZDUSSCGKSA-N 2 1 301.390 2.622 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1 ZINC000631886259 399518353 /nfs/dbraw/zinc/51/83/53/399518353.db2.gz GLADJTKLXLETNF-XJKSGUPXSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1 ZINC000631886259 399518359 /nfs/dbraw/zinc/51/83/59/399518359.db2.gz GLADJTKLXLETNF-XJKSGUPXSA-N 2 1 321.852 2.743 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347502793 285061348 /nfs/dbraw/zinc/06/13/48/285061348.db2.gz IKOUWNUMTFZMMT-SFHVURJKSA-N 2 1 315.461 2.674 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000422950809 296359916 /nfs/dbraw/zinc/35/99/16/296359916.db2.gz ZBACGYAKCMRJPY-WDEREUQCSA-N 2 1 313.239 2.545 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000422955832 296360610 /nfs/dbraw/zinc/36/06/10/296360610.db2.gz NSKFWIFAAPJDRI-SOLBZPMBSA-N 2 1 317.477 2.850 20 0 DFADMP C[C@H](CCC[NH3+])Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422956513 296360805 /nfs/dbraw/zinc/36/08/05/296360805.db2.gz PUCLYXHNLQHHNW-OAGGEKHMSA-N 2 1 305.466 2.835 20 0 DFADMP C[C@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422958895 296360991 /nfs/dbraw/zinc/36/09/91/296360991.db2.gz ZHDFPDQQIZARQS-CYJAXWMASA-N 2 1 317.477 2.848 20 0 DFADMP C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958899 296361034 /nfs/dbraw/zinc/36/10/34/296361034.db2.gz ZHDFPDQQIZARQS-OLMMMNRUSA-N 2 1 317.477 2.848 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000422950807 296360047 /nfs/dbraw/zinc/36/00/47/296360047.db2.gz ZBACGYAKCMRJPY-MNOVXSKESA-N 2 1 313.239 2.545 20 0 DFADMP C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]1 ZINC000422954471 296360345 /nfs/dbraw/zinc/36/03/45/296360345.db2.gz ITWONTTVFDETNW-HIFRSBDPSA-N 2 1 316.474 2.868 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422952607 296360444 /nfs/dbraw/zinc/36/04/44/296360444.db2.gz BNGSZRVGVJALCS-DZGCQCFKSA-N 2 1 316.474 2.725 20 0 DFADMP COCCOc1ncccc1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422970092 296362917 /nfs/dbraw/zinc/36/29/17/296362917.db2.gz FJJGSYMLRPHOEX-NVXWUHKLSA-N 2 1 321.465 2.507 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000422965251 296362241 /nfs/dbraw/zinc/36/22/41/296362241.db2.gz ODQBFQAVZOFINL-DNVCBOLYSA-N 2 1 312.461 2.701 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1c[nH+]ccc1N ZINC000422967262 296362585 /nfs/dbraw/zinc/36/25/85/296362585.db2.gz SLQBRMDYCARGDQ-XJKSGUPXSA-N 2 1 300.406 2.575 20 0 DFADMP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCN1 ZINC000422989033 296364720 /nfs/dbraw/zinc/36/47/20/296364720.db2.gz LKOVXCGCROOHDO-RBUKOAKNSA-N 2 1 316.493 2.808 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000423010625 296367299 /nfs/dbraw/zinc/36/72/99/296367299.db2.gz YBYSWVSOXLHNKV-SLFFLAALSA-N 2 1 310.441 2.845 20 0 DFADMP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C2 ZINC000423013684 296367848 /nfs/dbraw/zinc/36/78/48/296367848.db2.gz NFPYKNBZPDAILT-ZCNNSNEGSA-N 2 1 314.473 2.538 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1nc(-c2ccccc2)no1 ZINC000423017387 296368277 /nfs/dbraw/zinc/36/82/77/296368277.db2.gz WGGLLZPTTXGKEY-OLZOCXBDSA-N 2 1 323.400 2.998 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@H]2CCC[C@H]21 ZINC000624055695 399537728 /nfs/dbraw/zinc/53/77/28/399537728.db2.gz MRABSRFVGYJZKO-ZSYWTGECSA-N 2 1 300.446 2.590 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]1 ZINC000423018425 296368593 /nfs/dbraw/zinc/36/85/93/296368593.db2.gz YWZIOCGQWNBVLG-BPUTZDHNSA-N 2 1 314.433 2.960 20 0 DFADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423021660 296368966 /nfs/dbraw/zinc/36/89/66/296368966.db2.gz FUCQCMDEQRRZNJ-INDMIFKZSA-N 2 1 318.436 2.950 20 0 DFADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CO2 ZINC000624070619 399543202 /nfs/dbraw/zinc/54/32/02/399543202.db2.gz LFHWPAFYBBHEPZ-IDCNUPLLSA-N 2 1 300.446 2.761 20 0 DFADMP C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCC[NH2+]1 ZINC000423031266 296370061 /nfs/dbraw/zinc/37/00/61/296370061.db2.gz KVEMLSGQMZDDPJ-DOMZBBRYSA-N 2 1 318.396 2.538 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423051076 296372320 /nfs/dbraw/zinc/37/23/20/296372320.db2.gz ZTLDLFOZVFRSIC-ONCXSQPRSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423051076 296372322 /nfs/dbraw/zinc/37/23/22/296372322.db2.gz ZTLDLFOZVFRSIC-ONCXSQPRSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423051076 296372323 /nfs/dbraw/zinc/37/23/23/296372323.db2.gz ZTLDLFOZVFRSIC-ONCXSQPRSA-N 2 1 315.505 2.875 20 0 DFADMP OC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423057336 296373122 /nfs/dbraw/zinc/37/31/22/296373122.db2.gz HBKOQTHTHOGBBI-SLFFLAALSA-N 2 1 310.441 2.673 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000159259419 197340049 /nfs/dbraw/zinc/34/00/49/197340049.db2.gz AAZPLZSENNXDHN-MRXNPFEDSA-N 3 1 319.493 2.762 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H](CN[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063736 296373875 /nfs/dbraw/zinc/37/38/75/296373875.db2.gz POBCBVKIFNWIOB-MOPGFXCFSA-N 2 1 301.478 2.629 20 0 DFADMP CN(Cc1ccccc1)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063736 296373877 /nfs/dbraw/zinc/37/38/77/296373877.db2.gz POBCBVKIFNWIOB-MOPGFXCFSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423070908 296374979 /nfs/dbraw/zinc/37/49/79/296374979.db2.gz GXMWWHDANFKZRL-QFHJOOASSA-N 2 1 304.478 2.736 20 0 DFADMP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000423076893 296375604 /nfs/dbraw/zinc/37/56/04/296375604.db2.gz SBHVQSKJWTYARC-KLIQENQMSA-N 2 1 320.452 2.630 20 0 DFADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000347659656 285117808 /nfs/dbraw/zinc/11/78/08/285117808.db2.gz YUOVRVBRBVZWNC-UHFFFAOYSA-N 2 1 306.450 2.928 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OC)c(OC)c2C)CC1 ZINC000347659656 285117811 /nfs/dbraw/zinc/11/78/11/285117811.db2.gz YUOVRVBRBVZWNC-UHFFFAOYSA-N 2 1 306.450 2.928 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423076286 296375687 /nfs/dbraw/zinc/37/56/87/296375687.db2.gz QTHIIWUYGKVHPV-VJANTYMQSA-N 2 1 320.452 2.802 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000272968747 210352553 /nfs/dbraw/zinc/35/25/53/210352553.db2.gz NVBODAJWBVKJFU-HNNXBMFYSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423092097 296377531 /nfs/dbraw/zinc/37/75/31/296377531.db2.gz ANZSCYIQOWILIP-WFASDCNBSA-N 2 1 316.367 2.900 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158631328 197289931 /nfs/dbraw/zinc/28/99/31/197289931.db2.gz ZQUMUMLHOSNDEM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158631328 197289933 /nfs/dbraw/zinc/28/99/33/197289933.db2.gz ZQUMUMLHOSNDEM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158631328 197289934 /nfs/dbraw/zinc/28/99/34/197289934.db2.gz ZQUMUMLHOSNDEM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP c1ccc(COc2cnccc2C[NH2+][C@H]2CCC[NH2+]CC2)cc1 ZINC000423103852 296378533 /nfs/dbraw/zinc/37/85/33/296378533.db2.gz LMLBTUWEIMNWRJ-SFHVURJKSA-N 2 1 311.429 2.892 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000624119720 399558936 /nfs/dbraw/zinc/55/89/36/399558936.db2.gz HZKHECUYCYRDQE-LSDHHAIUSA-N 2 1 304.434 2.840 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000616997973 399560161 /nfs/dbraw/zinc/56/01/61/399560161.db2.gz DPYXZCMDXBSCLJ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000616997973 399560164 /nfs/dbraw/zinc/56/01/64/399560164.db2.gz DPYXZCMDXBSCLJ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000616997973 399560167 /nfs/dbraw/zinc/56/01/67/399560167.db2.gz DPYXZCMDXBSCLJ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121625 399560280 /nfs/dbraw/zinc/56/02/80/399560280.db2.gz ZCCQZLYNLLSNEA-IRXDYDNUSA-N 2 1 317.477 2.750 20 0 DFADMP C[N@H+]1CCCC[C@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000624122947 399560690 /nfs/dbraw/zinc/56/06/90/399560690.db2.gz BNFPGPPSJSNZQU-PBHICJAKSA-N 2 1 316.424 2.960 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423110460 296379546 /nfs/dbraw/zinc/37/95/46/296379546.db2.gz IDZXDHTYLTWVDI-IEZWGBDMSA-N 2 1 310.445 2.880 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423112933 296379983 /nfs/dbraw/zinc/37/99/83/296379983.db2.gz SVQCTXDVZOTIMN-CEXWTWQISA-N 2 1 301.478 2.944 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCOC[C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423112883 296380045 /nfs/dbraw/zinc/38/00/45/296380045.db2.gz SPYUDQKMBXUGHV-HYEGPXJVSA-N 2 1 318.461 2.751 20 0 DFADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423114640 296380073 /nfs/dbraw/zinc/38/00/73/296380073.db2.gz ZSYUHWACLDHOKT-YKXHTNLXSA-N 2 1 314.473 2.988 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423121512 296381226 /nfs/dbraw/zinc/38/12/26/296381226.db2.gz IPNLHDZSFLOSDZ-HKUYNNGSSA-N 2 1 319.493 2.808 20 0 DFADMP OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423124210 296381595 /nfs/dbraw/zinc/38/15/95/296381595.db2.gz MGJPGAUXTKCUCB-OGWHTMIXSA-N 2 1 302.462 2.868 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309641969 533093071 /nfs/dbraw/zinc/09/30/71/533093071.db2.gz CHTLPFALSHDCAJ-MJGOQNOKSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000423128560 296382007 /nfs/dbraw/zinc/38/20/07/296382007.db2.gz KZIOAPAZHIHLQH-DZGCQCFKSA-N 2 1 318.490 2.752 20 0 DFADMP C=Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423143079 296384062 /nfs/dbraw/zinc/38/40/62/296384062.db2.gz WHMPUHAZPPXLFE-QRVBRYPASA-N 2 1 300.446 2.619 20 0 DFADMP Cn1ccc(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)c1 ZINC000158512182 197279839 /nfs/dbraw/zinc/27/98/39/197279839.db2.gz XFWGGBHKNSHLEK-UHFFFAOYSA-N 2 1 315.436 2.961 20 0 DFADMP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)[C@@H]1CC[NH2+]C1 ZINC000423146793 296384520 /nfs/dbraw/zinc/38/45/20/296384520.db2.gz QKPXPGFIOYGKIR-QWHCGFSZSA-N 2 1 304.825 2.613 20 0 DFADMP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423148306 296385220 /nfs/dbraw/zinc/38/52/20/296385220.db2.gz UWVBXGAAUFHKIK-YTQUADARSA-N 2 1 318.436 2.950 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c2ccccc2O1 ZINC000423152180 296385630 /nfs/dbraw/zinc/38/56/30/296385630.db2.gz DUDUYEYYLWMAKI-TWPTVVAISA-N 2 1 316.445 2.645 20 0 DFADMP C[C@@H]([NH2+]Cc1cc(Cl)cc(Br)c1)C1C[NH2+]C1 ZINC000423175528 296388161 /nfs/dbraw/zinc/38/81/61/296388161.db2.gz DWZUCPYEDNBRAT-MRVPVSSYSA-N 2 1 303.631 2.800 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423177792 296388426 /nfs/dbraw/zinc/38/84/26/296388426.db2.gz JMSLGAIGVJAQPC-AWEZNQCLSA-N 2 1 303.450 2.701 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000617011492 399572440 /nfs/dbraw/zinc/57/24/40/399572440.db2.gz GDZFNAVRBMOYQZ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617011492 399572445 /nfs/dbraw/zinc/57/24/45/399572445.db2.gz GDZFNAVRBMOYQZ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617011492 399572448 /nfs/dbraw/zinc/57/24/48/399572448.db2.gz GDZFNAVRBMOYQZ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1F ZINC000294654143 224145607 /nfs/dbraw/zinc/14/56/07/224145607.db2.gz BPNJRMGRBXKZHR-HNNXBMFYSA-N 2 1 308.441 2.659 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423192779 296390679 /nfs/dbraw/zinc/39/06/79/296390679.db2.gz URFWNMRJUCUJQL-OCCSQVGLSA-N 2 1 300.381 2.563 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423195144 296390690 /nfs/dbraw/zinc/39/06/90/296390690.db2.gz SHPWNHIPHGWURQ-HAGHYFMRSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](NC3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423194767 296390844 /nfs/dbraw/zinc/39/08/44/296390844.db2.gz YSKOEUXOWTVWRQ-HSALFYBXSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423194767 296390845 /nfs/dbraw/zinc/39/08/45/296390845.db2.gz YSKOEUXOWTVWRQ-HSALFYBXSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]3CCC[C@H]32)cc1 ZINC000423194767 296390847 /nfs/dbraw/zinc/39/08/47/296390847.db2.gz YSKOEUXOWTVWRQ-HSALFYBXSA-N 3 1 313.489 2.771 20 0 DFADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194272 296390866 /nfs/dbraw/zinc/39/08/66/296390866.db2.gz YTQBWABBFNWJSJ-APWZRJJASA-N 2 1 313.445 2.927 20 0 DFADMP C[NH2+]CCC[NH2+][C@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423205974 296392210 /nfs/dbraw/zinc/39/22/10/296392210.db2.gz WNORYTGEQILMGP-CQSZACIVSA-N 2 1 324.490 2.663 20 0 DFADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423200745 296391951 /nfs/dbraw/zinc/39/19/51/296391951.db2.gz MZLYHZDGWUVEPT-ZDUSSCGKSA-N 2 1 313.239 2.862 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000423219281 296393619 /nfs/dbraw/zinc/39/36/19/296393619.db2.gz SZNSKXHWTIMSIP-IPYPFGDCSA-N 2 1 319.449 2.692 20 0 DFADMP CC[NH2+]CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423235932 296395532 /nfs/dbraw/zinc/39/55/32/296395532.db2.gz NSCPEGJAEPHOGG-HSALFYBXSA-N 2 1 315.505 2.876 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423246635 296396678 /nfs/dbraw/zinc/39/66/78/296396678.db2.gz ZOVLMESHCHBWFD-MUGJNUQGSA-N 2 1 313.489 2.629 20 0 DFADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000423250890 296396752 /nfs/dbraw/zinc/39/67/52/296396752.db2.gz REFSAPKCSOKRCY-PKOBYXMFSA-N 2 1 315.505 2.671 20 0 DFADMP COC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156963078 197153036 /nfs/dbraw/zinc/15/30/36/197153036.db2.gz JJOILZMNCOXNSQ-WMZOPIPTSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156963078 197153038 /nfs/dbraw/zinc/15/30/38/197153038.db2.gz JJOILZMNCOXNSQ-WMZOPIPTSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156963078 197153040 /nfs/dbraw/zinc/15/30/40/197153040.db2.gz JJOILZMNCOXNSQ-WMZOPIPTSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156963078 197153042 /nfs/dbraw/zinc/15/30/42/197153042.db2.gz JJOILZMNCOXNSQ-WMZOPIPTSA-N 2 1 318.461 2.925 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000159265553 285192542 /nfs/dbraw/zinc/19/25/42/285192542.db2.gz CQHLMTHBGCFNPZ-KRWDZBQOSA-N 2 1 304.434 2.983 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259513 296397598 /nfs/dbraw/zinc/39/75/98/296397598.db2.gz FCKGVNPNBLNCPY-YJBOKZPZSA-N 2 1 317.477 2.925 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000423259906 296397612 /nfs/dbraw/zinc/39/76/12/296397612.db2.gz FZTPTADQYISNQR-HOCLYGCPSA-N 2 1 308.466 2.906 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423274577 296399504 /nfs/dbraw/zinc/39/95/04/296399504.db2.gz MBSLVPSXSONVDI-MTFMMBMASA-N 2 1 315.505 2.875 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423274577 296399505 /nfs/dbraw/zinc/39/95/05/296399505.db2.gz MBSLVPSXSONVDI-MTFMMBMASA-N 3 1 315.505 2.875 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423274577 296399506 /nfs/dbraw/zinc/39/95/06/296399506.db2.gz MBSLVPSXSONVDI-MTFMMBMASA-N 3 1 315.505 2.875 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423277900 296399992 /nfs/dbraw/zinc/39/99/92/296399992.db2.gz QKGFBAQTHZPWJO-WDSOQIARSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423277900 296399993 /nfs/dbraw/zinc/39/99/93/296399993.db2.gz QKGFBAQTHZPWJO-WDSOQIARSA-N 3 1 301.478 2.801 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[C@H](C)[NH2+]C1 ZINC000629411171 399596477 /nfs/dbraw/zinc/59/64/77/399596477.db2.gz IJQWDWPNSCKKQD-IMJJTQAJSA-N 2 1 306.450 2.755 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1OC ZINC000347848086 285205534 /nfs/dbraw/zinc/20/55/34/285205534.db2.gz HFLDHIQGDGVHBY-INIZCTEOSA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)c1OC ZINC000347848086 285205539 /nfs/dbraw/zinc/20/55/39/285205539.db2.gz HFLDHIQGDGVHBY-INIZCTEOSA-N 2 1 318.461 2.930 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC[C@H](C[NH+]3CCCCC3)C2)s1 ZINC000347850960 285207253 /nfs/dbraw/zinc/20/72/53/285207253.db2.gz KYHVWYWKBKRBHZ-OAHLLOKOSA-N 2 1 322.522 2.513 20 0 DFADMP Clc1cc2c(c(Br)c1)CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423304238 296402629 /nfs/dbraw/zinc/40/26/29/296402629.db2.gz NQIKBTYDBJAICZ-CYBMUJFWSA-N 2 1 315.642 2.899 20 0 DFADMP C[C@H](CO)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000271552210 209005188 /nfs/dbraw/zinc/00/51/88/209005188.db2.gz SFGOZBNCMCSYFW-INIZCTEOSA-N 2 1 322.468 2.831 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000423320293 296403903 /nfs/dbraw/zinc/40/39/03/296403903.db2.gz DKYDFDOEDPHWKC-CCKFTAQKSA-N 2 1 318.461 2.545 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC(F)F ZINC000423314413 296403207 /nfs/dbraw/zinc/40/32/07/296403207.db2.gz HBMRULLFPNDXPY-JOYOIKCWSA-N 2 1 300.349 2.685 20 0 DFADMP COC[C@@H](CC(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358035329 285218290 /nfs/dbraw/zinc/21/82/90/285218290.db2.gz IHNZRJBXYYACKJ-IXDOHACOSA-N 2 1 300.487 2.527 20 0 DFADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1OC ZINC000347881818 285222877 /nfs/dbraw/zinc/22/28/77/285222877.db2.gz OQHKTLKMTFUMJJ-BBRMVZONSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1OC ZINC000347881818 285222879 /nfs/dbraw/zinc/22/28/79/285222879.db2.gz OQHKTLKMTFUMJJ-BBRMVZONSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000347881818 285222883 /nfs/dbraw/zinc/22/28/83/285222883.db2.gz OQHKTLKMTFUMJJ-BBRMVZONSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000347881818 285222888 /nfs/dbraw/zinc/22/28/88/285222888.db2.gz OQHKTLKMTFUMJJ-BBRMVZONSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000155193176 197031669 /nfs/dbraw/zinc/03/16/69/197031669.db2.gz ICFKLQWHVYHGIG-ZBFHGGJFSA-N 2 1 306.450 2.709 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155282112 197039358 /nfs/dbraw/zinc/03/93/58/197039358.db2.gz NPHCKWLKEVEOIT-RVKKMQEKSA-N 2 1 315.461 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155282112 197039360 /nfs/dbraw/zinc/03/93/60/197039360.db2.gz NPHCKWLKEVEOIT-RVKKMQEKSA-N 2 1 315.461 2.632 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000624224383 399603835 /nfs/dbraw/zinc/60/38/35/399603835.db2.gz UHSMUZIFPFYDKS-SFDMMAKQSA-N 2 1 312.457 2.664 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000624224383 399603839 /nfs/dbraw/zinc/60/38/39/399603839.db2.gz UHSMUZIFPFYDKS-SFDMMAKQSA-N 2 1 312.457 2.664 20 0 DFADMP COC1CCC([NH2+][C@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423372626 296409773 /nfs/dbraw/zinc/40/97/73/296409773.db2.gz RGUQAZQYIZLLGA-GULCKSEBSA-N 2 1 324.415 2.958 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347900296 285232776 /nfs/dbraw/zinc/23/27/76/285232776.db2.gz JMLQZCYXZDJIBR-ZIFCJYIRSA-N 2 1 324.472 2.908 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000318886910 533173997 /nfs/dbraw/zinc/17/39/97/533173997.db2.gz NQZHETFOBZUBJT-IMJJTQAJSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1O ZINC000294724901 224194973 /nfs/dbraw/zinc/19/49/73/224194973.db2.gz CWSAOWSLLVKYND-LNRIEFBSSA-N 2 1 318.461 2.937 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359040428 285247910 /nfs/dbraw/zinc/24/79/10/285247910.db2.gz KYICQEAPEGMPJB-DLBZAZTESA-N 2 1 323.525 2.687 20 0 DFADMP C[NH+]1CCC2(CC[N@H+]([C@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602877954 399612751 /nfs/dbraw/zinc/61/27/51/399612751.db2.gz MMIUQXLPGSKCAB-HNNXBMFYSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000602877070 399612772 /nfs/dbraw/zinc/61/27/72/399612772.db2.gz LKRWGRQQBULBPP-ZDUSSCGKSA-N 2 1 306.406 2.545 20 0 DFADMP Cc1nccn1CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931214 285252957 /nfs/dbraw/zinc/25/29/57/285252957.db2.gz KUTANTXPSWQTRB-RDJZCZTQSA-N 2 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347931214 285252960 /nfs/dbraw/zinc/25/29/60/285252960.db2.gz KUTANTXPSWQTRB-RDJZCZTQSA-N 3 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931214 285252962 /nfs/dbraw/zinc/25/29/62/285252962.db2.gz KUTANTXPSWQTRB-RDJZCZTQSA-N 3 1 304.482 2.824 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000423468003 296418854 /nfs/dbraw/zinc/41/88/54/296418854.db2.gz DZMWZSZIPXGVLD-HIFRSBDPSA-N 2 1 312.429 2.851 20 0 DFADMP Cc1noc(CCC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347943320 285261375 /nfs/dbraw/zinc/26/13/75/285261375.db2.gz WQLQFPIDOXRAOI-UKRRQHHQSA-N 2 1 306.454 2.553 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(c1ccccc1)c1ccccc1 ZINC000423505758 296423648 /nfs/dbraw/zinc/42/36/48/296423648.db2.gz GQBBIHZGKXZJFG-YLJYHZDGSA-N 2 1 323.484 2.700 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccc1F ZINC000271554761 209007137 /nfs/dbraw/zinc/00/71/37/209007137.db2.gz VNNTUULPDLAMLN-VHSSKADRSA-N 2 1 306.425 2.854 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359040434 285279154 /nfs/dbraw/zinc/27/91/54/285279154.db2.gz KYICQEAPEGMPJB-SJORKVTESA-N 2 1 323.525 2.687 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cscc1C ZINC000267290399 285281856 /nfs/dbraw/zinc/28/18/56/285281856.db2.gz ZOWWEYNXGKHUHR-HNNXBMFYSA-N 2 1 323.506 2.545 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000268945613 285290541 /nfs/dbraw/zinc/29/05/41/285290541.db2.gz UFJCFLJSJMUZNQ-KDOFPFPSSA-N 2 1 306.425 2.640 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624270415 399623295 /nfs/dbraw/zinc/62/32/95/399623295.db2.gz QOFXJAMPHBLNSU-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624270415 399623299 /nfs/dbraw/zinc/62/32/99/399623299.db2.gz QOFXJAMPHBLNSU-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624270415 399623302 /nfs/dbraw/zinc/62/33/02/399623302.db2.gz QOFXJAMPHBLNSU-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624270415 399623307 /nfs/dbraw/zinc/62/33/07/399623307.db2.gz QOFXJAMPHBLNSU-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624270415 399623311 /nfs/dbraw/zinc/62/33/11/399623311.db2.gz QOFXJAMPHBLNSU-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cnc2ccccc2c1)CC[NH+](C)C ZINC000289523261 221037899 /nfs/dbraw/zinc/03/78/99/221037899.db2.gz VUYUEZLOZJAOSX-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000120928767 195266729 /nfs/dbraw/zinc/26/67/29/195266729.db2.gz OWTJZBUVIRGAPL-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000120928767 195266731 /nfs/dbraw/zinc/26/67/31/195266731.db2.gz OWTJZBUVIRGAPL-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000120928767 195266733 /nfs/dbraw/zinc/26/67/33/195266733.db2.gz OWTJZBUVIRGAPL-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120928767 195266734 /nfs/dbraw/zinc/26/67/34/195266734.db2.gz OWTJZBUVIRGAPL-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000629515265 399632145 /nfs/dbraw/zinc/63/21/45/399632145.db2.gz NRSMMLGYFXPJLW-UMVBOHGHSA-N 2 1 314.351 2.653 20 0 DFADMP Cc1nccn1CCC[N@H+](C)CCN(C)Cc1ccccc1 ZINC000294900057 224294975 /nfs/dbraw/zinc/29/49/75/224294975.db2.gz HBDSKAZHNYWIEP-UHFFFAOYSA-N 2 1 300.450 2.645 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCN(C)Cc1ccccc1 ZINC000294900057 224294978 /nfs/dbraw/zinc/29/49/78/224294978.db2.gz HBDSKAZHNYWIEP-UHFFFAOYSA-N 2 1 300.450 2.645 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCN(C)Cc1ccccc1 ZINC000294900057 224294980 /nfs/dbraw/zinc/29/49/80/224294980.db2.gz HBDSKAZHNYWIEP-UHFFFAOYSA-N 2 1 300.450 2.645 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000629520129 399634009 /nfs/dbraw/zinc/63/40/09/399634009.db2.gz DDHVGRVWDPHFSW-NSHDSACASA-N 2 1 302.340 2.864 20 0 DFADMP Cc1nc(C(C)(C)C)sc1[C@@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629519492 399634244 /nfs/dbraw/zinc/63/42/44/399634244.db2.gz AJXZSAZOQMZKNJ-LLVKDONJSA-N 2 1 311.495 2.908 20 0 DFADMP Cc1cc(Cl)c2c(c1)[C@H]([NH2+]CC1([NH3+])CCOCC1)CCCO2 ZINC000629523753 399634841 /nfs/dbraw/zinc/63/48/41/399634841.db2.gz IQZLMQUAYXRJPA-OAHLLOKOSA-N 2 1 324.852 2.960 20 0 DFADMP COc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC000289892307 221298276 /nfs/dbraw/zinc/29/82/76/221298276.db2.gz SLSLVLCPOQLLRA-QGZVFWFLSA-N 2 1 320.477 2.751 20 0 DFADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC000289892307 221298279 /nfs/dbraw/zinc/29/82/79/221298279.db2.gz SLSLVLCPOQLLRA-QGZVFWFLSA-N 2 1 320.477 2.751 20 0 DFADMP COc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C2CC2)C(C)(C)C)cc1 ZINC000289892307 221298280 /nfs/dbraw/zinc/29/82/80/221298280.db2.gz SLSLVLCPOQLLRA-QGZVFWFLSA-N 2 1 320.477 2.751 20 0 DFADMP COc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)cc1 ZINC000289892307 221298282 /nfs/dbraw/zinc/29/82/82/221298282.db2.gz SLSLVLCPOQLLRA-QGZVFWFLSA-N 2 1 320.477 2.751 20 0 DFADMP Brc1cnccc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000629533609 399638990 /nfs/dbraw/zinc/63/89/90/399638990.db2.gz LGETZGRPJCEMGT-HNNXBMFYSA-N 2 1 324.266 2.808 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043899 221397903 /nfs/dbraw/zinc/39/79/03/221397903.db2.gz RGRXNCGMVOIBPO-WMLDXEAASA-N 2 1 308.853 2.584 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043899 221397905 /nfs/dbraw/zinc/39/79/05/221397905.db2.gz RGRXNCGMVOIBPO-WMLDXEAASA-N 2 1 308.853 2.584 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043899 221397908 /nfs/dbraw/zinc/39/79/08/221397908.db2.gz RGRXNCGMVOIBPO-WMLDXEAASA-N 2 1 308.853 2.584 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043899 221397910 /nfs/dbraw/zinc/39/79/10/221397910.db2.gz RGRXNCGMVOIBPO-WMLDXEAASA-N 2 1 308.853 2.584 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000629592898 399657772 /nfs/dbraw/zinc/65/77/72/399657772.db2.gz GFLLZPRVDVNCKE-CALCHBBNSA-N 2 1 321.852 2.600 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617344516 399669364 /nfs/dbraw/zinc/66/93/64/399669364.db2.gz KOFWDKPSGHSBSK-WBVHZDCISA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000617344516 399669367 /nfs/dbraw/zinc/66/93/67/399669367.db2.gz KOFWDKPSGHSBSK-WBVHZDCISA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000617344516 399669370 /nfs/dbraw/zinc/66/93/70/399669370.db2.gz KOFWDKPSGHSBSK-WBVHZDCISA-N 2 1 321.509 2.773 20 0 DFADMP CCC[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccsc1 ZINC000629549301 399643458 /nfs/dbraw/zinc/64/34/58/399643458.db2.gz JVEVPYGUOVRUHB-CABCVRRESA-N 2 1 305.451 2.505 20 0 DFADMP C[C@H]1C[C@@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000629547326 399643826 /nfs/dbraw/zinc/64/38/26/399643826.db2.gz MJARIHGHPOVKNA-XJKSGUPXSA-N 2 1 302.466 2.712 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629548256 399643913 /nfs/dbraw/zinc/64/39/13/399643913.db2.gz YIDYTWFUHICHBT-CJSSEVFESA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccc2ccccc2c1 ZINC000629548660 399644229 /nfs/dbraw/zinc/64/42/29/399644229.db2.gz RBUXGXDJKGDPOW-LIRRHRJNSA-N 2 1 321.428 2.817 20 0 DFADMP C[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc(C2CC2)c1 ZINC000629550128 399645009 /nfs/dbraw/zinc/64/50/09/399645009.db2.gz MPFRHVSZUWYHEA-SCLBCKFNSA-N 2 1 311.433 2.541 20 0 DFADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000629551789 399645359 /nfs/dbraw/zinc/64/53/59/399645359.db2.gz XLALKDVCDDSJPV-MJBXVCDLSA-N 2 1 320.399 2.856 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629559209 399649627 /nfs/dbraw/zinc/64/96/27/399649627.db2.gz AJPRFPORUORLGU-CABCVRRESA-N 2 1 316.367 2.662 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629559209 399649631 /nfs/dbraw/zinc/64/96/31/399649631.db2.gz AJPRFPORUORLGU-CABCVRRESA-N 2 1 316.367 2.662 20 0 DFADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629564083 399650302 /nfs/dbraw/zinc/65/03/02/399650302.db2.gz RJSDGNVJQJZBQJ-GHMZBOCLSA-N 2 1 307.385 2.719 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629564083 399650307 /nfs/dbraw/zinc/65/03/07/399650307.db2.gz RJSDGNVJQJZBQJ-GHMZBOCLSA-N 2 1 307.385 2.719 20 0 DFADMP CN(CC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629561359 399650344 /nfs/dbraw/zinc/65/03/44/399650344.db2.gz HVZBFAQCEHDLIQ-DZGCQCFKSA-N 2 1 315.383 2.582 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563655 399650709 /nfs/dbraw/zinc/65/07/09/399650709.db2.gz QAOMQCJLFSQQBB-GXTWGEPZSA-N 2 1 302.340 2.654 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563655 399650711 /nfs/dbraw/zinc/65/07/11/399650711.db2.gz QAOMQCJLFSQQBB-GXTWGEPZSA-N 2 1 302.340 2.654 20 0 DFADMP Cc1cccc(OCC[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563277 399650926 /nfs/dbraw/zinc/65/09/26/399650926.db2.gz DNSBSODVRYNZGV-UKRRQHHQSA-N 2 1 316.367 2.833 20 0 DFADMP Cc1cccc(OCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563277 399650933 /nfs/dbraw/zinc/65/09/33/399650933.db2.gz DNSBSODVRYNZGV-UKRRQHHQSA-N 2 1 316.367 2.833 20 0 DFADMP COCc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564662 399651564 /nfs/dbraw/zinc/65/15/64/399651564.db2.gz TYBOZFMXYCCCRO-LSDHHAIUSA-N 2 1 316.367 2.792 20 0 DFADMP COCc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564662 399651567 /nfs/dbraw/zinc/65/15/67/399651567.db2.gz TYBOZFMXYCCCRO-LSDHHAIUSA-N 2 1 316.367 2.792 20 0 DFADMP C[C@H](C[N@@H+](C)CCOCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000629662490 399680919 /nfs/dbraw/zinc/68/09/19/399680919.db2.gz FWRHZTXGBJRCJN-GFCCVEGCSA-N 2 1 304.356 2.716 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC[S@](=O)c1ccccc1 ZINC000603112223 399684077 /nfs/dbraw/zinc/68/40/77/399684077.db2.gz UVIAMVWVJMHFQT-QFIPXVFZSA-N 2 1 322.518 2.992 20 0 DFADMP Cc1ccnc(NC[C@H]2CCN(Cc3nccn3C(F)F)C2)c1 ZINC000624484648 399686132 /nfs/dbraw/zinc/68/61/32/399686132.db2.gz IQUYVBZMJRRFBX-CYBMUJFWSA-N 2 1 321.375 2.916 20 0 DFADMP Cc1noc([C@@H](C)N2CC[C@H](CNc3cc(C)ccn3)C2)n1 ZINC000624484645 399686397 /nfs/dbraw/zinc/68/63/97/399686397.db2.gz GSXWOTGDCKUJLI-TZMCWYRMSA-N 2 1 301.394 2.576 20 0 DFADMP Cc1noc([C@@H](C)N2CC[C@@H](CNc3cc(C)ccn3)C2)n1 ZINC000624484644 399686452 /nfs/dbraw/zinc/68/64/52/399686452.db2.gz GSXWOTGDCKUJLI-OCCSQVGLSA-N 2 1 301.394 2.576 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)o1 ZINC000617351898 399675233 /nfs/dbraw/zinc/67/52/33/399675233.db2.gz RQAMTTGQPAPNTD-CQSZACIVSA-N 2 1 321.465 2.724 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000294973128 224350294 /nfs/dbraw/zinc/35/02/94/224350294.db2.gz KBXKKDXRLKYTQI-QFBILLFUSA-N 2 1 324.472 2.828 20 0 DFADMP C[N@H+]1CCC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185491 542535064 /nfs/dbraw/zinc/53/50/64/542535064.db2.gz MKQQWBVSTOPETB-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185491 542535065 /nfs/dbraw/zinc/53/50/65/542535065.db2.gz MKQQWBVSTOPETB-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185491 542535069 /nfs/dbraw/zinc/53/50/69/542535069.db2.gz MKQQWBVSTOPETB-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185491 542535072 /nfs/dbraw/zinc/53/50/72/542535072.db2.gz MKQQWBVSTOPETB-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185491 542535076 /nfs/dbraw/zinc/53/50/76/542535076.db2.gz MKQQWBVSTOPETB-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2nccs2)cc1 ZINC000093843756 542555090 /nfs/dbraw/zinc/55/50/90/542555090.db2.gz AYSRNJWLZYXRCG-UHFFFAOYSA-N 2 1 319.474 2.758 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000617504791 399719920 /nfs/dbraw/zinc/71/99/20/399719920.db2.gz KMFQIPWMYOBVNS-IXDOHACOSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@@H](C)C1 ZINC000617504791 399719925 /nfs/dbraw/zinc/71/99/25/399719925.db2.gz KMFQIPWMYOBVNS-IXDOHACOSA-N 2 1 311.514 2.591 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000378443238 285337881 /nfs/dbraw/zinc/33/78/81/285337881.db2.gz RRNCCQVNURNZIO-LSTHTHJFSA-N 2 1 314.473 2.843 20 0 DFADMP CC(C)CC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCC1 ZINC000617506558 399720433 /nfs/dbraw/zinc/72/04/33/399720433.db2.gz SFFPMDXITUBMJS-INIZCTEOSA-N 2 1 311.514 2.591 20 0 DFADMP CC(C)CC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCC1 ZINC000617506558 399720438 /nfs/dbraw/zinc/72/04/38/399720438.db2.gz SFFPMDXITUBMJS-INIZCTEOSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348098237 285346886 /nfs/dbraw/zinc/34/68/86/285346886.db2.gz ABKGEQLMSADRHO-AAVRWANBSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000348098237 285346889 /nfs/dbraw/zinc/34/68/89/285346889.db2.gz ABKGEQLMSADRHO-AAVRWANBSA-N 2 1 308.388 2.806 20 0 DFADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)c1 ZINC000121122421 195295942 /nfs/dbraw/zinc/29/59/42/195295942.db2.gz NHPFAWQIIUTWOB-KRWDZBQOSA-N 2 1 304.478 2.828 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000133446324 285376568 /nfs/dbraw/zinc/37/65/68/285376568.db2.gz IGRSHESXTVRDGE-OLMNPRSZSA-N 2 1 307.457 2.748 20 0 DFADMP CC[N@@H+](CCc1cnn(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062235 399741388 /nfs/dbraw/zinc/74/13/88/399741388.db2.gz LTPQUVIBRZQYPO-UHFFFAOYSA-N 2 1 300.450 2.546 20 0 DFADMP C[C@H]([NH2+]Cc1nccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128120814 195937861 /nfs/dbraw/zinc/93/78/61/195937861.db2.gz NWMHSVVDKOYPAQ-ZDUSSCGKSA-N 2 1 305.447 2.934 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](OC)[C@H]1CCOC1 ZINC000626063936 399742473 /nfs/dbraw/zinc/74/24/73/399742473.db2.gz WAFIXKXYQHIJGN-OALUTQOASA-N 2 1 320.477 2.622 20 0 DFADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000309879446 533644159 /nfs/dbraw/zinc/64/41/59/533644159.db2.gz YQNOEBFAVBGANP-SJLPKXTDSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC000309879446 533644168 /nfs/dbraw/zinc/64/41/68/533644168.db2.gz YQNOEBFAVBGANP-SJLPKXTDSA-N 2 1 301.478 2.723 20 0 DFADMP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000121375438 542584300 /nfs/dbraw/zinc/58/43/00/542584300.db2.gz XCHBIMMPHRDNNH-KDURUIRLSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@H](NCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442926 130031554 /nfs/dbraw/zinc/03/15/54/130031554.db2.gz ITYHTARTBMEXLV-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]CCN1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442926 130031558 /nfs/dbraw/zinc/03/15/58/130031558.db2.gz ITYHTARTBMEXLV-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000122815050 542590077 /nfs/dbraw/zinc/59/00/77/542590077.db2.gz ZADHTGXEPUNBBW-KRWDZBQOSA-N 3 1 315.505 2.755 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000122815050 542590079 /nfs/dbraw/zinc/59/00/79/542590079.db2.gz ZADHTGXEPUNBBW-KRWDZBQOSA-N 3 1 315.505 2.755 20 0 DFADMP CC[C@@H](C)CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000617641055 399765752 /nfs/dbraw/zinc/76/57/52/399765752.db2.gz JIXBUUWZGFDAMV-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000127971794 542615935 /nfs/dbraw/zinc/61/59/35/542615935.db2.gz ZUCRWEKERMWMKV-WMLDXEAASA-N 2 1 318.465 2.789 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000423936900 296467994 /nfs/dbraw/zinc/46/79/94/296467994.db2.gz DLYZQFRQGWMYMG-JKSUJKDBSA-N 2 1 323.868 2.576 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccn(C)n2)cc1 ZINC000348252842 285451626 /nfs/dbraw/zinc/45/16/26/285451626.db2.gz FHWPOSVCZXADPJ-CQSZACIVSA-N 2 1 309.417 2.808 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)nc2)CC1 ZINC000131261113 542636847 /nfs/dbraw/zinc/63/68/47/542636847.db2.gz WFWPOHFZWPWLFQ-UHFFFAOYSA-N 2 1 303.450 2.834 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000132999033 542644905 /nfs/dbraw/zinc/64/49/05/542644905.db2.gz KMTSRQKNBHXAOL-AUUYWEPGSA-N 2 1 318.436 2.904 20 0 DFADMP C[C@H]1C[N@@H+](C[C@@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC000284089763 131048116 /nfs/dbraw/zinc/04/81/16/131048116.db2.gz LXSWDRMXASPGQR-SCTDSRPQSA-N 2 1 302.462 2.865 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000603517398 399786162 /nfs/dbraw/zinc/78/61/62/399786162.db2.gz UAEIZDUYOQIHLW-INIZCTEOSA-N 2 1 322.424 2.567 20 0 DFADMP O[C@@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000603556883 399789091 /nfs/dbraw/zinc/78/90/91/399789091.db2.gz FFWAAOBZOCYPJA-OALUTQOASA-N 2 1 317.477 2.749 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000603544909 399788445 /nfs/dbraw/zinc/78/84/45/399788445.db2.gz YHURJTWSISRGNJ-QGZVFWFLSA-N 2 1 321.509 2.776 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000603544909 399788449 /nfs/dbraw/zinc/78/84/49/399788449.db2.gz YHURJTWSISRGNJ-QGZVFWFLSA-N 2 1 321.509 2.776 20 0 DFADMP C1C[C@@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CC[N@H+]2C1 ZINC000161583809 542731727 /nfs/dbraw/zinc/73/17/27/542731727.db2.gz YORDSKGDZFXTNN-IEBWSBKVSA-N 2 1 305.510 3.000 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000163840374 132124891 /nfs/dbraw/zinc/12/48/91/132124891.db2.gz TUPQAZHVKQARCS-OLZOCXBDSA-N 2 1 309.841 2.585 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166175798 542749519 /nfs/dbraw/zinc/74/95/19/542749519.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166175798 542749523 /nfs/dbraw/zinc/74/95/23/542749523.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166175798 542749527 /nfs/dbraw/zinc/74/95/27/542749527.db2.gz WTTRSYMNFNJTRC-FCGDIQPGSA-N 2 1 307.526 2.961 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166729191 542750896 /nfs/dbraw/zinc/75/08/96/542750896.db2.gz MJQFPZXYPMGQCS-OWCLPIDISA-N 2 1 304.434 2.679 20 0 DFADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000166395855 542751650 /nfs/dbraw/zinc/75/16/50/542751650.db2.gz ZTGIMOSBJNEWRT-JKSUJKDBSA-N 2 1 316.445 2.909 20 0 DFADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166294857 542751658 /nfs/dbraw/zinc/75/16/58/542751658.db2.gz IJOPBUUXKSAXEA-JKSUJKDBSA-N 2 1 304.434 2.681 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCc2cnn(C)c2)C1 ZINC000603711963 399799842 /nfs/dbraw/zinc/79/98/42/399799842.db2.gz SNKXFNKLYGGWDK-MJGOQNOKSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000603711963 399799846 /nfs/dbraw/zinc/79/98/46/399799846.db2.gz SNKXFNKLYGGWDK-MJGOQNOKSA-N 2 1 318.509 2.939 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](CO)CC(F)F)cc1 ZINC000348404045 285527739 /nfs/dbraw/zinc/52/77/39/285527739.db2.gz IWLNSWSVKYOMSE-RISCZKNCSA-N 2 1 309.360 2.847 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000181341179 542789243 /nfs/dbraw/zinc/78/92/43/542789243.db2.gz WZIPPMVEHGKFNX-JQWIXIFHSA-N 2 1 318.248 2.840 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000181341179 542789247 /nfs/dbraw/zinc/78/92/47/542789247.db2.gz WZIPPMVEHGKFNX-JQWIXIFHSA-N 2 1 318.248 2.840 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC(C)(C)[NH3+] ZINC000237342606 542901492 /nfs/dbraw/zinc/90/14/92/542901492.db2.gz SDGRZEWFXPMPLT-OAHLLOKOSA-N 2 1 317.477 2.805 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000237683878 542904852 /nfs/dbraw/zinc/90/48/52/542904852.db2.gz DFNPETGUAHIALU-OAHLLOKOSA-N 2 1 317.477 2.805 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)oc1C ZINC000292755749 543016854 /nfs/dbraw/zinc/01/68/54/543016854.db2.gz XFIRQKHNXBNBRD-JGGQBBKZSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)oc1C ZINC000292755749 543016859 /nfs/dbraw/zinc/01/68/59/543016859.db2.gz XFIRQKHNXBNBRD-JGGQBBKZSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)oc1C ZINC000292755749 543016861 /nfs/dbraw/zinc/01/68/61/543016861.db2.gz XFIRQKHNXBNBRD-JGGQBBKZSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)oc1C ZINC000292755749 543016865 /nfs/dbraw/zinc/01/68/65/543016865.db2.gz XFIRQKHNXBNBRD-JGGQBBKZSA-N 2 1 320.433 2.852 20 0 DFADMP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000298569824 543042793 /nfs/dbraw/zinc/04/27/93/543042793.db2.gz WXPUXRVQQPVMNA-LJQANCHMSA-N 2 1 314.477 2.709 20 0 DFADMP COC1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000309888651 543067098 /nfs/dbraw/zinc/06/70/98/543067098.db2.gz CTKWEANBLXCBBF-VWPKTGOWSA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000625086098 399843166 /nfs/dbraw/zinc/84/31/66/399843166.db2.gz HHSKWBWZJPQXRT-UHFFFAOYSA-N 2 1 312.255 2.618 20 0 DFADMP C[C@H](CCc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388514 399843949 /nfs/dbraw/zinc/84/39/49/399843949.db2.gz HYEHFSULIOJPIM-UYAOXDASSA-N 2 1 315.505 2.720 20 0 DFADMP CCN(CCC[N@H+]1CCC[C@@H](n2ccnc2)C1)CC(F)(F)F ZINC000681208352 545611731 /nfs/dbraw/zinc/61/17/31/545611731.db2.gz HABWPOMULWKRPP-CQSZACIVSA-N 2 1 318.387 2.794 20 0 DFADMP CC(C)[C@@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000339074884 543139935 /nfs/dbraw/zinc/13/99/35/543139935.db2.gz MLSCMVWWBVZJAD-GBESFXJTSA-N 2 1 307.526 2.959 20 0 DFADMP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339073688 543140218 /nfs/dbraw/zinc/14/02/18/543140218.db2.gz DDULYRXTHFMGQC-ILXRZTDVSA-N 2 1 320.868 2.530 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069645 543140715 /nfs/dbraw/zinc/14/07/15/543140715.db2.gz YUTWNLHHIUMKSL-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069645 543140717 /nfs/dbraw/zinc/14/07/17/543140717.db2.gz YUTWNLHHIUMKSL-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069645 543140720 /nfs/dbraw/zinc/14/07/20/543140720.db2.gz YUTWNLHHIUMKSL-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069645 543140723 /nfs/dbraw/zinc/14/07/23/543140723.db2.gz YUTWNLHHIUMKSL-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069645 543140725 /nfs/dbraw/zinc/14/07/25/543140725.db2.gz YUTWNLHHIUMKSL-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000339233460 543141462 /nfs/dbraw/zinc/14/14/62/543141462.db2.gz CNRFVRSXMOVXOI-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339251295 543142216 /nfs/dbraw/zinc/14/22/16/543142216.db2.gz CQENFCLBQXNLIX-MHORFTMASA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339251295 543142220 /nfs/dbraw/zinc/14/22/20/543142220.db2.gz CQENFCLBQXNLIX-MHORFTMASA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339251295 543142222 /nfs/dbraw/zinc/14/22/22/543142222.db2.gz CQENFCLBQXNLIX-MHORFTMASA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOC2CCOCC2)C1 ZINC000625174143 399857701 /nfs/dbraw/zinc/85/77/01/399857701.db2.gz WDPMKMGUOJPHCX-QZTJIDSGSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOC2CCOCC2)C1 ZINC000625174143 399857704 /nfs/dbraw/zinc/85/77/04/399857704.db2.gz WDPMKMGUOJPHCX-QZTJIDSGSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000625174143 399857709 /nfs/dbraw/zinc/85/77/09/399857709.db2.gz WDPMKMGUOJPHCX-QZTJIDSGSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000625174143 399857713 /nfs/dbraw/zinc/85/77/13/399857713.db2.gz WDPMKMGUOJPHCX-QZTJIDSGSA-N 2 1 324.509 2.768 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348072278 543183149 /nfs/dbraw/zinc/18/31/49/543183149.db2.gz AEKVLLJQOOLJRM-RTBURBONSA-N 2 1 300.446 2.797 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@](C)(CO)Cc1ccccc1 ZINC000357815048 543264276 /nfs/dbraw/zinc/26/42/76/543264276.db2.gz VESMVOSHUFHWQY-RWQQGDIJSA-N 2 1 304.478 2.546 20 0 DFADMP CCN(CCC[NH+]1CCCC1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000425249302 296561467 /nfs/dbraw/zinc/56/14/67/296561467.db2.gz BHYUPFROPQNVQQ-UHFFFAOYSA-N 2 1 317.481 2.779 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000172413042 145302777 /nfs/dbraw/zinc/30/27/77/145302777.db2.gz MTQUGIPSIXHTBX-ZACQAIPSSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000174116243 145367113 /nfs/dbraw/zinc/36/71/13/145367113.db2.gz DWQBFYBESORQQA-UHFFFAOYSA-N 2 1 320.481 2.776 20 0 DFADMP CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC1(C)C ZINC000417312394 543335028 /nfs/dbraw/zinc/33/50/28/543335028.db2.gz NOZWKZHLLIVDCU-IAGOWNOFSA-N 2 1 323.525 2.734 20 0 DFADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000174897556 145393029 /nfs/dbraw/zinc/39/30/29/145393029.db2.gz DXVBUPGQLFDPQF-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000174897556 145393031 /nfs/dbraw/zinc/39/30/31/145393031.db2.gz DXVBUPGQLFDPQF-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP C[N@H+]1C[C@H](C(=O)Nc2ccn3ccnc3c2)[C@@H](c2ccccc2)C1 ZINC000626777634 399893033 /nfs/dbraw/zinc/89/30/33/399893033.db2.gz SHBWKJXPZCWHIW-SJORKVTESA-N 2 1 320.396 2.618 20 0 DFADMP CCCN(C(=O)c1ccc(-c2c[nH]cn2)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000633552376 399916964 /nfs/dbraw/zinc/91/69/64/399916964.db2.gz OLBZXELVYKWFFQ-MRXNPFEDSA-N 2 1 312.417 2.633 20 0 DFADMP CC[NH+](CC)Cc1cn([C@@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630592569 399907101 /nfs/dbraw/zinc/90/71/01/399907101.db2.gz TWZWDXRVYCLDAL-GOSISDBHSA-N 2 1 313.449 2.567 20 0 DFADMP CC[NH+](CC)Cc1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630592569 399907104 /nfs/dbraw/zinc/90/71/04/399907104.db2.gz TWZWDXRVYCLDAL-GOSISDBHSA-N 2 1 313.449 2.567 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631043459 399968456 /nfs/dbraw/zinc/96/84/56/399968456.db2.gz XCGFAGCFVJRPRT-HOTGVXAUSA-N 2 1 318.509 2.757 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000631065888 399972978 /nfs/dbraw/zinc/97/29/78/399972978.db2.gz VQYQELNAKCGZKW-QGZVFWFLSA-N 2 1 303.450 2.855 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000631065888 399972980 /nfs/dbraw/zinc/97/29/80/399972980.db2.gz VQYQELNAKCGZKW-QGZVFWFLSA-N 2 1 303.450 2.855 20 0 DFADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000178418409 145520330 /nfs/dbraw/zinc/52/03/30/145520330.db2.gz FFCOGXKGDPRIEG-CQSZACIVSA-N 2 1 313.449 2.752 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccncc2Br)C1 ZINC000631157663 399992251 /nfs/dbraw/zinc/99/22/51/399992251.db2.gz DNHIHJRLDSAUMC-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n(CC2CCC2)n1 ZINC000631177795 399996871 /nfs/dbraw/zinc/99/68/71/399996871.db2.gz AAKXXIKUFQMHPQ-GOSISDBHSA-N 2 1 316.493 2.895 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n(CC2CCC2)n1 ZINC000631177795 399996874 /nfs/dbraw/zinc/99/68/74/399996874.db2.gz AAKXXIKUFQMHPQ-GOSISDBHSA-N 2 1 316.493 2.895 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2[nH]ccc2c1 ZINC000628191097 399999222 /nfs/dbraw/zinc/99/92/22/399999222.db2.gz ZOUJULPZFICWJE-NZSAHSFTSA-N 2 1 313.445 2.851 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631197082 400001357 /nfs/dbraw/zinc/00/13/57/400001357.db2.gz WZMWJHXLYSZRFT-DNVCBOLYSA-N 2 1 310.445 2.643 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631197082 400001359 /nfs/dbraw/zinc/00/13/59/400001359.db2.gz WZMWJHXLYSZRFT-DNVCBOLYSA-N 2 1 310.445 2.643 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC1CC1 ZINC000628243092 400007691 /nfs/dbraw/zinc/00/76/91/400007691.db2.gz CEWBSODHGQCRNQ-HNNXBMFYSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC1CC1 ZINC000628243092 400007693 /nfs/dbraw/zinc/00/76/93/400007693.db2.gz CEWBSODHGQCRNQ-HNNXBMFYSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1OC1CC1 ZINC000628243092 400007696 /nfs/dbraw/zinc/00/76/96/400007696.db2.gz CEWBSODHGQCRNQ-HNNXBMFYSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1OC1CC1 ZINC000628243092 400007699 /nfs/dbraw/zinc/00/76/99/400007699.db2.gz CEWBSODHGQCRNQ-HNNXBMFYSA-N 2 1 304.434 2.620 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(F)(F)F ZINC000631235015 400009869 /nfs/dbraw/zinc/00/98/69/400009869.db2.gz UEHIKTIYPUBNQG-FZMZJTMJSA-N 2 1 308.388 2.685 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@H]2CC)CC1 ZINC000631272580 400016027 /nfs/dbraw/zinc/01/60/27/400016027.db2.gz HFYHQFCEPWARGU-MSOLQXFVSA-N 2 1 323.525 2.687 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@H]2CC)CC1 ZINC000631272580 400016028 /nfs/dbraw/zinc/01/60/28/400016028.db2.gz HFYHQFCEPWARGU-MSOLQXFVSA-N 2 1 323.525 2.687 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@H]2CC)CC1 ZINC000631272580 400016029 /nfs/dbraw/zinc/01/60/29/400016029.db2.gz HFYHQFCEPWARGU-MSOLQXFVSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1ccc([C@H](C)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000628323083 400020613 /nfs/dbraw/zinc/02/06/13/400020613.db2.gz YWQKWGZKNJFLAX-QGZVFWFLSA-N 2 1 302.462 2.895 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000631564204 400051814 /nfs/dbraw/zinc/05/18/14/400051814.db2.gz FEWOHKCWTGNYIN-MRXNPFEDSA-N 2 1 304.434 2.984 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570725 400052722 /nfs/dbraw/zinc/05/27/22/400052722.db2.gz XSZBEFRDTVRZPI-ZBFHGGJFSA-N 2 1 304.434 2.840 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570720 400052889 /nfs/dbraw/zinc/05/28/89/400052889.db2.gz XSZBEFRDTVRZPI-GDBMZVCRSA-N 2 1 304.434 2.840 20 0 DFADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(OC)c1OC ZINC000631577575 400053693 /nfs/dbraw/zinc/05/36/93/400053693.db2.gz QZPDIHAEGWRNDV-HNNXBMFYSA-N 2 1 303.406 2.950 20 0 DFADMP c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000631580147 400054060 /nfs/dbraw/zinc/05/40/60/400054060.db2.gz DGBKMCBNHQDUCP-HNAYVOBHSA-N 2 1 315.461 2.550 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631581019 400054415 /nfs/dbraw/zinc/05/44/15/400054415.db2.gz DSWQMHIGVBICFI-OTWHNJEPSA-N 2 1 322.493 2.567 20 0 DFADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000631582195 400054816 /nfs/dbraw/zinc/05/48/16/400054816.db2.gz YRCLAGFNIDQJBN-LPHOPBHVSA-N 2 1 318.461 2.509 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000631603964 400057528 /nfs/dbraw/zinc/05/75/28/400057528.db2.gz WUSRWPQVHIEKCQ-INIZCTEOSA-N 2 1 312.417 2.633 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000631607905 400057803 /nfs/dbraw/zinc/05/78/03/400057803.db2.gz WBMOYZYHYJGURB-UKRRQHHQSA-N 2 1 313.401 2.710 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000631659260 400063022 /nfs/dbraw/zinc/06/30/22/400063022.db2.gz KRPYSMNFTHRJEF-AXAPSJFSSA-N 2 1 314.832 2.975 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000631659260 400063023 /nfs/dbraw/zinc/06/30/23/400063023.db2.gz KRPYSMNFTHRJEF-AXAPSJFSSA-N 2 1 314.832 2.975 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000631661629 400063487 /nfs/dbraw/zinc/06/34/87/400063487.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631661629 400063489 /nfs/dbraw/zinc/06/34/89/400063489.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631661629 400063491 /nfs/dbraw/zinc/06/34/91/400063491.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000631661629 400063493 /nfs/dbraw/zinc/06/34/93/400063493.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000631661629 400063494 /nfs/dbraw/zinc/06/34/94/400063494.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631661629 400063495 /nfs/dbraw/zinc/06/34/95/400063495.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631661629 400063496 /nfs/dbraw/zinc/06/34/96/400063496.db2.gz AMRKBJGQDQGLIO-UMGGQSCQSA-N 3 1 315.505 2.827 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000631665385 400063938 /nfs/dbraw/zinc/06/39/38/400063938.db2.gz XCSZGLROFBFRRJ-IPELMVKDSA-N 2 1 302.462 2.769 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000631665303 400064119 /nfs/dbraw/zinc/06/41/19/400064119.db2.gz VEUUIGDUXBZNHE-JFRXWTBNSA-N 2 1 302.462 2.769 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000631665766 400064186 /nfs/dbraw/zinc/06/41/86/400064186.db2.gz XQTMSZSQPQTOHT-NZSAHSFTSA-N 2 1 302.462 2.913 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000631670990 400064547 /nfs/dbraw/zinc/06/45/47/400064547.db2.gz UCFHRNNTWGQBQZ-BSHDOZJQSA-N 2 1 300.446 2.543 20 0 DFADMP C[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631698600 400068168 /nfs/dbraw/zinc/06/81/68/400068168.db2.gz GIANFYIAUHXJHK-CWRNSKLLSA-N 2 1 312.404 2.503 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@@H](O)C(F)(F)F ZINC000631718777 400069972 /nfs/dbraw/zinc/06/99/72/400069972.db2.gz KEJOMWXMDSYMRM-PAPYEOQZSA-N 2 1 322.415 2.931 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000631733329 400070863 /nfs/dbraw/zinc/07/08/63/400070863.db2.gz BOFLBNQNGHYYBB-KCMWZYNZSA-N 2 1 306.425 2.976 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000631733330 400070885 /nfs/dbraw/zinc/07/08/85/400070885.db2.gz BOFLBNQNGHYYBB-PLYYQAHHSA-N 2 1 306.425 2.976 20 0 DFADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1([C@@H]2CCCCO2)CCC1 ZINC000631732327 400070990 /nfs/dbraw/zinc/07/09/90/400070990.db2.gz HWKSCFYXMMKAFY-MSOLQXFVSA-N 2 1 322.493 2.569 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@@H]2CCC[C@@H]21 ZINC000631732585 400071004 /nfs/dbraw/zinc/07/10/04/400071004.db2.gz LLLKLUYDZGNJTF-FHWLQOOXSA-N 2 1 300.446 2.722 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000631793439 400075712 /nfs/dbraw/zinc/07/57/12/400075712.db2.gz GZZJVDUXHUFEKR-MISYRCLQSA-N 2 1 315.505 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000631793439 400075714 /nfs/dbraw/zinc/07/57/14/400075714.db2.gz GZZJVDUXHUFEKR-MISYRCLQSA-N 2 1 315.505 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000631793439 400075716 /nfs/dbraw/zinc/07/57/16/400075716.db2.gz GZZJVDUXHUFEKR-MISYRCLQSA-N 2 1 315.505 2.921 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000631829545 400078083 /nfs/dbraw/zinc/07/80/83/400078083.db2.gz TZSKAVRKZVGOIJ-BHIYHBOVSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(C)n1 ZINC000631829552 400078150 /nfs/dbraw/zinc/07/81/50/400078150.db2.gz UBAHQPOUWMFEOO-SCTDSRPQSA-N 2 1 317.477 2.725 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000631829546 400078165 /nfs/dbraw/zinc/07/81/65/400078165.db2.gz TZSKAVRKZVGOIJ-QRQLOZEOSA-N 2 1 317.477 2.868 20 0 DFADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000631832484 400078509 /nfs/dbraw/zinc/07/85/09/400078509.db2.gz GZOBVNYIIXLQME-CYBMUJFWSA-N 2 1 309.841 2.872 20 0 DFADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000631832484 400078510 /nfs/dbraw/zinc/07/85/10/400078510.db2.gz GZOBVNYIIXLQME-CYBMUJFWSA-N 2 1 309.841 2.872 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000631840901 400078882 /nfs/dbraw/zinc/07/88/82/400078882.db2.gz VZOBJEVXDROQAK-CRAIPNDOSA-N 2 1 311.429 2.687 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)n2)ccc1F ZINC000631841275 400078949 /nfs/dbraw/zinc/07/89/49/400078949.db2.gz IQTUCZHUNKPXEA-MBNYWOFBSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)n2)ccc1F ZINC000631841275 400078950 /nfs/dbraw/zinc/07/89/50/400078950.db2.gz IQTUCZHUNKPXEA-MBNYWOFBSA-N 2 1 318.396 2.772 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000236595460 146022265 /nfs/dbraw/zinc/02/22/65/146022265.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](NC[C@@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000236595460 146022270 /nfs/dbraw/zinc/02/22/70/146022270.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](NC[C@@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000236595460 146022273 /nfs/dbraw/zinc/02/22/73/146022273.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000236595460 146022276 /nfs/dbraw/zinc/02/22/76/146022276.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](NC[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000236595460 146022279 /nfs/dbraw/zinc/02/22/79/146022279.db2.gz KSPTZZXKXIIEJF-OALUTQOASA-N 2 1 313.489 2.725 20 0 DFADMP C[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCC[NH2+]1 ZINC000237546371 146046683 /nfs/dbraw/zinc/04/66/83/146046683.db2.gz VAPVVTRHINLRIK-IBGZPJMESA-N 2 1 321.509 2.633 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237714499 146051258 /nfs/dbraw/zinc/05/12/58/146051258.db2.gz GUGMFAWGDGFVTA-UXLLHSPISA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237714499 146051262 /nfs/dbraw/zinc/05/12/62/146051262.db2.gz GUGMFAWGDGFVTA-UXLLHSPISA-N 2 1 317.477 2.559 20 0 DFADMP COc1cc(OC)cc([C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000245573391 146086094 /nfs/dbraw/zinc/08/60/94/146086094.db2.gz AFKLBBUEGZNNHL-WBVHZDCISA-N 2 1 318.461 2.977 20 0 DFADMP COc1cc(OC)cc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000245573391 146086096 /nfs/dbraw/zinc/08/60/96/146086096.db2.gz AFKLBBUEGZNNHL-WBVHZDCISA-N 2 1 318.461 2.977 20 0 DFADMP COc1cc(OC)cc([C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000245573391 146086098 /nfs/dbraw/zinc/08/60/98/146086098.db2.gz AFKLBBUEGZNNHL-WBVHZDCISA-N 2 1 318.461 2.977 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C[C@H]1n1ccnc1 ZINC000245724758 146098083 /nfs/dbraw/zinc/09/80/83/146098083.db2.gz DQOLMFMQUHUBCR-WMLDXEAASA-N 2 1 322.416 2.751 20 0 DFADMP Cn1cncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246709142 146151217 /nfs/dbraw/zinc/15/12/17/146151217.db2.gz ZUWHQXSJPIWAFW-CZUORRHYSA-N 2 1 304.463 2.654 20 0 DFADMP Cn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246709142 146151221 /nfs/dbraw/zinc/15/12/21/146151221.db2.gz ZUWHQXSJPIWAFW-CZUORRHYSA-N 2 1 304.463 2.654 20 0 DFADMP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000246709155 146151503 /nfs/dbraw/zinc/15/15/03/146151503.db2.gz ZUWHQXSJPIWAFW-XJKSGUPXSA-N 2 1 304.463 2.654 20 0 DFADMP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000246709155 146151507 /nfs/dbraw/zinc/15/15/07/146151507.db2.gz ZUWHQXSJPIWAFW-XJKSGUPXSA-N 2 1 304.463 2.654 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1cc(F)ccc1F ZINC000247001618 146159383 /nfs/dbraw/zinc/15/93/83/146159383.db2.gz KTRMBBNAVZRUJI-RHSMWYFYSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1cc(F)ccc1F ZINC000247001618 146159385 /nfs/dbraw/zinc/15/93/85/146159385.db2.gz KTRMBBNAVZRUJI-RHSMWYFYSA-N 2 1 321.371 2.668 20 0 DFADMP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cn1 ZINC000248883994 146173893 /nfs/dbraw/zinc/17/38/93/146173893.db2.gz QICOXXFDTMHWBX-DOTOQJQBSA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cn1 ZINC000248883994 146173894 /nfs/dbraw/zinc/17/38/94/146173894.db2.gz QICOXXFDTMHWBX-DOTOQJQBSA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000248883994 146173895 /nfs/dbraw/zinc/17/38/95/146173895.db2.gz QICOXXFDTMHWBX-DOTOQJQBSA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000248883994 146173896 /nfs/dbraw/zinc/17/38/96/146173896.db2.gz QICOXXFDTMHWBX-DOTOQJQBSA-N 2 1 304.482 2.700 20 0 DFADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249763434 146205819 /nfs/dbraw/zinc/20/58/19/146205819.db2.gz XZZLFZOWMGYSLY-TVFCKZIOSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000252895746 146223490 /nfs/dbraw/zinc/22/34/90/146223490.db2.gz ZPNYAMKXRKBFSY-GXSJLCMTSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000252895746 146223492 /nfs/dbraw/zinc/22/34/92/146223492.db2.gz ZPNYAMKXRKBFSY-GXSJLCMTSA-N 2 1 303.269 2.940 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551697 146239053 /nfs/dbraw/zinc/23/90/53/146239053.db2.gz QVIQYTPVPWICBW-GBESFXJTSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261551697 146239055 /nfs/dbraw/zinc/23/90/55/146239055.db2.gz QVIQYTPVPWICBW-GBESFXJTSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551697 146239058 /nfs/dbraw/zinc/23/90/58/146239058.db2.gz QVIQYTPVPWICBW-GBESFXJTSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261557847 146240958 /nfs/dbraw/zinc/24/09/58/146240958.db2.gz XRWHKRCEIVSMBU-MJGOQNOKSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000261622742 146248345 /nfs/dbraw/zinc/24/83/45/146248345.db2.gz DMORHIBLNBXPHT-CQSZACIVSA-N 2 1 318.339 2.635 20 0 DFADMP CC[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640535 146252250 /nfs/dbraw/zinc/25/22/50/146252250.db2.gz FOUXFHNEXKBMHE-HXUWFJFHSA-N 3 1 315.505 2.830 20 0 DFADMP CC[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640535 146252251 /nfs/dbraw/zinc/25/22/51/146252251.db2.gz FOUXFHNEXKBMHE-HXUWFJFHSA-N 3 1 315.505 2.830 20 0 DFADMP CC[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640535 146252252 /nfs/dbraw/zinc/25/22/52/146252252.db2.gz FOUXFHNEXKBMHE-HXUWFJFHSA-N 3 1 315.505 2.830 20 0 DFADMP CC[N@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640535 146252253 /nfs/dbraw/zinc/25/22/53/146252253.db2.gz FOUXFHNEXKBMHE-HXUWFJFHSA-N 2 1 315.505 2.830 20 0 DFADMP CC[N@@H+](C[C@H]1CCN(Cc2ccccc2)C1)CC1CC[NH2+]CC1 ZINC000261640535 146252254 /nfs/dbraw/zinc/25/22/54/146252254.db2.gz FOUXFHNEXKBMHE-HXUWFJFHSA-N 2 1 315.505 2.830 20 0 DFADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261646262 146253635 /nfs/dbraw/zinc/25/36/35/146253635.db2.gz ARJRMRSSVSYSFR-HOCLYGCPSA-N 2 1 304.409 2.720 20 0 DFADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261646262 146253638 /nfs/dbraw/zinc/25/36/38/146253638.db2.gz ARJRMRSSVSYSFR-HOCLYGCPSA-N 2 1 304.409 2.720 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261651865 146254158 /nfs/dbraw/zinc/25/41/58/146254158.db2.gz HKVUVWVHKIRDLQ-IBGZPJMESA-N 2 1 311.429 2.928 20 0 DFADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000261654074 146255304 /nfs/dbraw/zinc/25/53/04/146255304.db2.gz HPILTKSXICMBBE-CQSZACIVSA-N 2 1 320.330 2.938 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000261654074 146255309 /nfs/dbraw/zinc/25/53/09/146255309.db2.gz HPILTKSXICMBBE-CQSZACIVSA-N 2 1 320.330 2.938 20 0 DFADMP CC[C@H]1C[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000261702652 146261746 /nfs/dbraw/zinc/26/17/46/146261746.db2.gz JLPQFUOCOMQYIV-NQYYFHDYSA-N 2 1 302.462 2.866 20 0 DFADMP c1csc(C[N@H+](C[C@@H]2CCSC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261762733 146272207 /nfs/dbraw/zinc/27/22/07/146272207.db2.gz DDRZKTHZZWYJLQ-KBPBESRZSA-N 2 1 323.531 2.840 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261766568 146273643 /nfs/dbraw/zinc/27/36/43/146273643.db2.gz DJOJDRIKFQJABW-CYBMUJFWSA-N 2 1 304.463 2.580 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261784073 146276163 /nfs/dbraw/zinc/27/61/63/146276163.db2.gz FRZZOVVSGUJZQV-CQSZACIVSA-N 2 1 302.397 2.572 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261780336 146276327 /nfs/dbraw/zinc/27/63/27/146276327.db2.gz FKPKZIVMQNHCNX-NOLJZWGESA-N 2 1 322.836 2.686 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261780336 146276328 /nfs/dbraw/zinc/27/63/28/146276328.db2.gz FKPKZIVMQNHCNX-NOLJZWGESA-N 2 1 322.836 2.686 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000261792984 146277146 /nfs/dbraw/zinc/27/71/46/146277146.db2.gz NRJPNVXYHMAOKT-AWEZNQCLSA-N 2 1 302.340 2.798 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000261792984 146277150 /nfs/dbraw/zinc/27/71/50/146277150.db2.gz NRJPNVXYHMAOKT-AWEZNQCLSA-N 2 1 302.340 2.798 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000261800239 146278640 /nfs/dbraw/zinc/27/86/40/146278640.db2.gz VTBFDONPHXXTAH-DCGLDWPTSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000261800239 146278642 /nfs/dbraw/zinc/27/86/42/146278642.db2.gz VTBFDONPHXXTAH-DCGLDWPTSA-N 2 1 323.868 2.576 20 0 DFADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261881431 146294724 /nfs/dbraw/zinc/29/47/24/146294724.db2.gz FJTBWICXYHQMGA-NXWXRZEISA-N 2 1 318.461 2.509 20 0 DFADMP Cc1cc(C)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000261882736 146295052 /nfs/dbraw/zinc/29/50/52/146295052.db2.gz FOXAEVXSACOHJS-VAMGGRTRSA-N 2 1 316.489 2.901 20 0 DFADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261926847 146302291 /nfs/dbraw/zinc/30/22/91/146302291.db2.gz LEBZTUZNRYFFSN-OWYHZJEWSA-N 2 1 302.462 2.845 20 0 DFADMP c1cn2c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c(C3CC3)nc2s1 ZINC000261944132 146306811 /nfs/dbraw/zinc/30/68/11/146306811.db2.gz FBYSRODMYFKKPP-UHFFFAOYSA-N 2 1 316.474 2.849 20 0 DFADMP C[C@@]1(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261954920 146308667 /nfs/dbraw/zinc/30/86/67/146308667.db2.gz GOUYMOYUXJIWNI-CRAIPNDOSA-N 2 1 304.409 2.720 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261954920 146308670 /nfs/dbraw/zinc/30/86/70/146308670.db2.gz GOUYMOYUXJIWNI-CRAIPNDOSA-N 2 1 304.409 2.720 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261962660 146310413 /nfs/dbraw/zinc/31/04/13/146310413.db2.gz HLBCNLUDLANTIF-UHFFFAOYSA-N 2 1 314.408 2.791 20 0 DFADMP CCC[N@@H+](C[C@H]1COc2ccccc2O1)C[C@]1(C)CC[NH2+]C1 ZINC000261970981 146311760 /nfs/dbraw/zinc/31/17/60/146311760.db2.gz IFINKKUAHXYQKJ-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000261976231 146313900 /nfs/dbraw/zinc/31/39/00/146313900.db2.gz GCBWUJGBJULTAH-UHFFFAOYSA-N 2 1 316.424 2.833 20 0 DFADMP Clc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261993980 146318887 /nfs/dbraw/zinc/31/88/87/146318887.db2.gz TUJSSDGJAZNWHO-ZACQAIPSSA-N 2 1 308.853 2.629 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261997149 146319121 /nfs/dbraw/zinc/31/91/21/146319121.db2.gz UEZFHTAALTYQOM-GUDVDZBRSA-N 2 1 318.461 2.722 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000262036954 146326301 /nfs/dbraw/zinc/32/63/01/146326301.db2.gz OPUDXBZLGHRVHC-SFHVURJKSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000262036954 146326302 /nfs/dbraw/zinc/32/63/02/146326302.db2.gz OPUDXBZLGHRVHC-SFHVURJKSA-N 2 1 304.434 2.668 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262095793 146333530 /nfs/dbraw/zinc/33/35/30/146333530.db2.gz IJFJYBFMGCNGMU-GZBFAFLISA-N 2 1 321.852 2.646 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262095793 146333533 /nfs/dbraw/zinc/33/35/33/146333533.db2.gz IJFJYBFMGCNGMU-GZBFAFLISA-N 2 1 321.852 2.646 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262112470 146333971 /nfs/dbraw/zinc/33/39/71/146333971.db2.gz WQABEFSJJPMPGR-MJGOQNOKSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262112470 146333976 /nfs/dbraw/zinc/33/39/76/146333976.db2.gz WQABEFSJJPMPGR-MJGOQNOKSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262112470 146333980 /nfs/dbraw/zinc/33/39/80/146333980.db2.gz WQABEFSJJPMPGR-MJGOQNOKSA-N 2 1 307.526 2.963 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000262122289 146335301 /nfs/dbraw/zinc/33/53/01/146335301.db2.gz XLAYMDWYPNRWJI-UHFFFAOYSA-N 2 1 304.434 2.588 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000262305598 146350544 /nfs/dbraw/zinc/35/05/44/146350544.db2.gz PCFVUOUUMMUAAN-VHDGCEQUSA-N 2 1 314.458 2.764 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000262305598 146350546 /nfs/dbraw/zinc/35/05/46/146350546.db2.gz PCFVUOUUMMUAAN-VHDGCEQUSA-N 2 1 314.458 2.764 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000262323497 146351287 /nfs/dbraw/zinc/35/12/87/146351287.db2.gz RIUJWCNOTDMYOM-WCQYABFASA-N 2 1 314.376 2.856 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000262540442 146369291 /nfs/dbraw/zinc/36/92/91/146369291.db2.gz RAOGLERVOBSTEF-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000262540442 146369292 /nfs/dbraw/zinc/36/92/92/146369292.db2.gz RAOGLERVOBSTEF-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262560877 146371453 /nfs/dbraw/zinc/37/14/53/146371453.db2.gz VLLFYPTWBQUWIB-BMGDILEWSA-N 2 1 304.434 2.523 20 0 DFADMP CCc1ccc([C@@H](CNC2=[NH+]CCCN2)[NH+](CC)CC)cc1 ZINC000262647708 146379435 /nfs/dbraw/zinc/37/94/35/146379435.db2.gz AIHREWIJWXCOEW-QGZVFWFLSA-N 2 1 302.466 2.571 20 0 DFADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354398428 147022691 /nfs/dbraw/zinc/02/26/91/147022691.db2.gz XRVOFOFKVNDZGZ-CYBMUJFWSA-N 2 1 314.433 2.670 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000354489999 147056319 /nfs/dbraw/zinc/05/63/19/147056319.db2.gz PWUADSVAEZGGNE-KRWDZBQOSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494954326 543416935 /nfs/dbraw/zinc/41/69/35/543416935.db2.gz RFBLIPNEIHHJHC-OAHLLOKOSA-N 2 1 323.506 2.953 20 0 DFADMP CC(C)[C@@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354814130 147160740 /nfs/dbraw/zinc/16/07/40/147160740.db2.gz FBFIGJPLMNGZRF-ROUUACIJSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[C@@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354814131 147161014 /nfs/dbraw/zinc/16/10/14/147161014.db2.gz FBFIGJPLMNGZRF-ZWKOTPCHSA-N 2 1 317.477 2.526 20 0 DFADMP CCN(CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)CC(F)(F)F ZINC000354843792 147173099 /nfs/dbraw/zinc/17/30/99/147173099.db2.gz HJWWUTVIFPREQE-UONOGXRCSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)CC(F)(F)F ZINC000354843792 147173100 /nfs/dbraw/zinc/17/31/00/147173100.db2.gz HJWWUTVIFPREQE-UONOGXRCSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)CC(F)(F)F ZINC000354843792 147173101 /nfs/dbraw/zinc/17/31/01/147173101.db2.gz HJWWUTVIFPREQE-UONOGXRCSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC(F)(F)F ZINC000354843792 147173102 /nfs/dbraw/zinc/17/31/02/147173102.db2.gz HJWWUTVIFPREQE-UONOGXRCSA-N 2 1 309.420 2.675 20 0 DFADMP C[N@@H+](CC1CCOCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354864647 147183620 /nfs/dbraw/zinc/18/36/20/147183620.db2.gz VOYAVSAVSFUUHO-UHFFFAOYSA-N 2 1 303.450 2.656 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CC[C@H](C)O3)C1)CCCC2 ZINC000355277627 147249617 /nfs/dbraw/zinc/24/96/17/147249617.db2.gz OEAABRYFYNVDDP-NUEKZKHPSA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CC[C@H](C)O3)C1)CCCC2 ZINC000355277627 147249621 /nfs/dbraw/zinc/24/96/21/147249621.db2.gz OEAABRYFYNVDDP-NUEKZKHPSA-N 2 1 303.450 2.885 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355282774 147250544 /nfs/dbraw/zinc/25/05/44/147250544.db2.gz SBGGVIBBEKEUBW-IAGOWNOFSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000355330365 147267930 /nfs/dbraw/zinc/26/79/30/147267930.db2.gz CDWZDOMAAYIIQY-LMMKCTJWSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@](C)(F)C2)CC1 ZINC000355372037 147289183 /nfs/dbraw/zinc/28/91/83/147289183.db2.gz XRGPBVNRXYFHTC-GOSISDBHSA-N 2 1 305.441 2.762 20 0 DFADMP C[C@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[NH+]1CCCCCC1 ZINC000533826962 543436621 /nfs/dbraw/zinc/43/66/21/543436621.db2.gz OTCIFBHEXYYKMI-QAPCUYQASA-N 2 1 315.461 2.554 20 0 DFADMP C[C@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1CCCCCC1 ZINC000533826962 543436622 /nfs/dbraw/zinc/43/66/22/543436622.db2.gz OTCIFBHEXYYKMI-QAPCUYQASA-N 2 1 315.461 2.554 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCOCC2(CCC2)C1 ZINC000355511971 147344201 /nfs/dbraw/zinc/34/42/01/147344201.db2.gz LOIZGCVWLGKCLO-UHFFFAOYSA-N 2 1 312.417 2.578 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(F)ccc2C)CC1 ZINC000355656305 147399275 /nfs/dbraw/zinc/39/92/75/147399275.db2.gz VBZXNFOBNHTJPY-UHFFFAOYSA-N 2 1 315.392 2.860 20 0 DFADMP CC/C=C\CC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000588475959 543461927 /nfs/dbraw/zinc/46/19/27/543461927.db2.gz CVLLPDIREQQYFT-WAYWQWQTSA-N 2 1 321.509 2.609 20 0 DFADMP Cc1ccccc1OCCC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000357635158 148064603 /nfs/dbraw/zinc/06/46/03/148064603.db2.gz IQAOTUQLIYSQJG-QGZVFWFLSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OCCC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000357635158 148064605 /nfs/dbraw/zinc/06/46/05/148064605.db2.gz IQAOTUQLIYSQJG-QGZVFWFLSA-N 2 1 320.477 2.541 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000358048712 148226764 /nfs/dbraw/zinc/22/67/64/148226764.db2.gz PYIWJSCQHPEAFU-ZIAGYGMSSA-N 2 1 316.474 2.677 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000358080279 148236437 /nfs/dbraw/zinc/23/64/37/148236437.db2.gz GEEGWILKEZDABX-DOMZBBRYSA-N 2 1 324.852 2.584 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3c[nH]c4ncncc34)C2)c1 ZINC000638006192 543496923 /nfs/dbraw/zinc/49/69/23/543496923.db2.gz FNEOZHIYLLIPLZ-CQSZACIVSA-N 2 1 322.416 2.547 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3c[nH]c4ncncc34)C2)c1 ZINC000638006192 543496927 /nfs/dbraw/zinc/49/69/27/543496927.db2.gz FNEOZHIYLLIPLZ-CQSZACIVSA-N 2 1 322.416 2.547 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358145611 148259592 /nfs/dbraw/zinc/25/95/92/148259592.db2.gz AGINILBBJFPZSS-CVEARBPZSA-N 2 1 304.434 2.681 20 0 DFADMP CCc1cnccc1[C@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897872 296603393 /nfs/dbraw/zinc/60/33/93/296603393.db2.gz WOELLMWWNIHNMD-ZDUSSCGKSA-N 2 1 314.433 2.950 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)CCC2 ZINC000358251567 148303885 /nfs/dbraw/zinc/30/38/85/148303885.db2.gz KRLXCTWLCMVXBS-RTBURBONSA-N 2 1 302.462 2.844 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000358251567 148303890 /nfs/dbraw/zinc/30/38/90/148303890.db2.gz KRLXCTWLCMVXBS-RTBURBONSA-N 2 1 302.462 2.844 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)[C@@H](C)C1 ZINC000358280750 148316913 /nfs/dbraw/zinc/31/69/13/148316913.db2.gz BUFYIPAVSOGKAQ-JYJNAYRXSA-N 2 1 304.434 2.536 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000358408900 148350535 /nfs/dbraw/zinc/35/05/35/148350535.db2.gz VMHPNFIAZDLSCC-KHYOSLBOSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@H]1C[C@@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[N@H+]1C ZINC000350528477 286056271 /nfs/dbraw/zinc/05/62/71/286056271.db2.gz YTSLBONEVKZABJ-BBRMVZONSA-N 2 1 314.433 2.996 20 0 DFADMP Clc1cnccc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000350669404 286072158 /nfs/dbraw/zinc/07/21/58/286072158.db2.gz LNNCJEHVZIGQMF-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP COc1ccc(COCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000361011204 149007311 /nfs/dbraw/zinc/00/73/11/149007311.db2.gz DAIZODFKFWCUCC-CRAIPNDOSA-N 2 1 306.450 2.532 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000361183160 149048517 /nfs/dbraw/zinc/04/85/17/149048517.db2.gz OZHCAHPXFRGHRW-UKRRQHHQSA-N 2 1 323.868 2.578 20 0 DFADMP CC(C)C[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+](C)C ZINC000361344800 149092042 /nfs/dbraw/zinc/09/20/42/149092042.db2.gz WBVSBKIEQDWALS-HNNXBMFYSA-N 2 1 323.447 2.969 20 0 DFADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000361350504 149093353 /nfs/dbraw/zinc/09/33/53/149093353.db2.gz GPWJIWCVLFSMFG-LPHOPBHVSA-N 2 1 302.462 2.809 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccsc2Cl)CC1 ZINC000361557375 149147376 /nfs/dbraw/zinc/14/73/76/149147376.db2.gz QMOKWHHXHMOACW-GFCCVEGCSA-N 2 1 316.898 2.926 20 0 DFADMP CN(c1nc(C[NH+]2CCC(C[NH+](C)C)CC2)cs1)C1CC1 ZINC000361635651 149176077 /nfs/dbraw/zinc/17/60/77/149176077.db2.gz GAITVYOEVGKKNT-UHFFFAOYSA-N 2 1 308.495 2.515 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2SC)[C@@H](C)C1 ZINC000361937496 149260144 /nfs/dbraw/zinc/26/01/44/149260144.db2.gz IUBDHZNIFPFROL-JONQDZQNSA-N 2 1 300.512 2.607 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361942481 149263018 /nfs/dbraw/zinc/26/30/18/149263018.db2.gz WJSIHXUUCDQNDD-HOTGVXAUSA-N 2 1 320.481 2.728 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361942481 149263019 /nfs/dbraw/zinc/26/30/19/149263019.db2.gz WJSIHXUUCDQNDD-HOTGVXAUSA-N 2 1 320.481 2.728 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000362012407 149276398 /nfs/dbraw/zinc/27/63/98/149276398.db2.gz GYSOQPAECOEYPX-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000362012407 149276401 /nfs/dbraw/zinc/27/64/01/149276401.db2.gz GYSOQPAECOEYPX-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000351438871 286126486 /nfs/dbraw/zinc/12/64/86/286126486.db2.gz FWASDPZBNJSORA-PMACEKPBSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000351438871 286126489 /nfs/dbraw/zinc/12/64/89/286126489.db2.gz FWASDPZBNJSORA-PMACEKPBSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000351438871 286126491 /nfs/dbraw/zinc/12/64/91/286126491.db2.gz FWASDPZBNJSORA-PMACEKPBSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000351438871 286126492 /nfs/dbraw/zinc/12/64/92/286126492.db2.gz FWASDPZBNJSORA-PMACEKPBSA-N 2 1 316.489 2.711 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351488456 286133341 /nfs/dbraw/zinc/13/33/41/286133341.db2.gz FPNVTJDKKXDJBH-RMRHIDDWSA-N 2 1 321.852 2.645 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351488456 286133342 /nfs/dbraw/zinc/13/33/42/286133342.db2.gz FPNVTJDKKXDJBH-RMRHIDDWSA-N 2 1 321.852 2.645 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351525849 286143850 /nfs/dbraw/zinc/14/38/50/286143850.db2.gz VOEXNFACROJOSZ-RBUKOAKNSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351525849 286143852 /nfs/dbraw/zinc/14/38/52/286143852.db2.gz VOEXNFACROJOSZ-RBUKOAKNSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351525849 286143854 /nfs/dbraw/zinc/14/38/54/286143854.db2.gz VOEXNFACROJOSZ-RBUKOAKNSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351525849 286143856 /nfs/dbraw/zinc/14/38/56/286143856.db2.gz VOEXNFACROJOSZ-RBUKOAKNSA-N 2 1 322.468 2.780 20 0 DFADMP Cc1ccc([C@@H]2CCCCCN2C[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000351512621 286140402 /nfs/dbraw/zinc/14/04/02/286140402.db2.gz HJNNTZVRFRDVIJ-SJORKVTESA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351512621 286140404 /nfs/dbraw/zinc/14/04/04/286140404.db2.gz HJNNTZVRFRDVIJ-SJORKVTESA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351512621 286140408 /nfs/dbraw/zinc/14/04/08/286140408.db2.gz HJNNTZVRFRDVIJ-SJORKVTESA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@H]2CCCCCN2C[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000351512618 286140446 /nfs/dbraw/zinc/14/04/46/286140446.db2.gz HJNNTZVRFRDVIJ-DLBZAZTESA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@H]2CCCCC[N@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351512618 286140448 /nfs/dbraw/zinc/14/04/48/286140448.db2.gz HJNNTZVRFRDVIJ-DLBZAZTESA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351512618 286140450 /nfs/dbraw/zinc/14/04/50/286140450.db2.gz HJNNTZVRFRDVIJ-DLBZAZTESA-N 2 1 306.450 2.960 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519217 286141431 /nfs/dbraw/zinc/14/14/31/286141431.db2.gz ODMJTPWRALMFCS-ATZDWAIDSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519217 286141432 /nfs/dbraw/zinc/14/14/32/286141432.db2.gz ODMJTPWRALMFCS-ATZDWAIDSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519217 286141434 /nfs/dbraw/zinc/14/14/34/286141434.db2.gz ODMJTPWRALMFCS-ATZDWAIDSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519217 286141436 /nfs/dbraw/zinc/14/14/36/286141436.db2.gz ODMJTPWRALMFCS-ATZDWAIDSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+](Cc1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000351532983 286145796 /nfs/dbraw/zinc/14/57/96/286145796.db2.gz AAVARLURVIXRIG-KRWDZBQOSA-N 2 1 308.441 2.881 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+](Cc1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000351532983 286145797 /nfs/dbraw/zinc/14/57/97/286145797.db2.gz AAVARLURVIXRIG-KRWDZBQOSA-N 2 1 308.441 2.881 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](Cc1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000351532983 286145801 /nfs/dbraw/zinc/14/58/01/286145801.db2.gz AAVARLURVIXRIG-KRWDZBQOSA-N 2 1 308.441 2.881 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000351532983 286145803 /nfs/dbraw/zinc/14/58/03/286145803.db2.gz AAVARLURVIXRIG-KRWDZBQOSA-N 2 1 308.441 2.881 20 0 DFADMP Cc1nn(C)cc1[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000371206212 150004172 /nfs/dbraw/zinc/00/41/72/150004172.db2.gz XOFKCQDIZKUSRP-KRWDZBQOSA-N 2 1 301.438 2.851 20 0 DFADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000371206212 150004173 /nfs/dbraw/zinc/00/41/73/150004173.db2.gz XOFKCQDIZKUSRP-KRWDZBQOSA-N 2 1 301.438 2.851 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000371251841 150009919 /nfs/dbraw/zinc/00/99/19/150009919.db2.gz QMYZIFRENAXPAT-FUHWJXTLSA-N 2 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000371251841 150009921 /nfs/dbraw/zinc/00/99/21/150009921.db2.gz QMYZIFRENAXPAT-FUHWJXTLSA-N 2 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000371251841 150009924 /nfs/dbraw/zinc/00/99/24/150009924.db2.gz QMYZIFRENAXPAT-FUHWJXTLSA-N 2 1 302.466 2.530 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265711 150012196 /nfs/dbraw/zinc/01/21/96/150012196.db2.gz DJSIHCPWDBPTPW-ZWKOTPCHSA-N 2 1 301.478 2.707 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2C/C=C/c1ccccc1 ZINC000371294486 150017362 /nfs/dbraw/zinc/01/73/62/150017362.db2.gz LCRYSKFXBYWWCL-HVWXGUPWSA-N 2 1 300.446 2.883 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2C/C=C/c1ccccc1 ZINC000371294486 150017371 /nfs/dbraw/zinc/01/73/71/150017371.db2.gz LCRYSKFXBYWWCL-HVWXGUPWSA-N 2 1 300.446 2.883 20 0 DFADMP COCc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371295499 150017446 /nfs/dbraw/zinc/01/74/46/150017446.db2.gz RYTXAXQTEJIXDH-GBESFXJTSA-N 2 1 318.461 2.517 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C/c1ccccc1 ZINC000371294487 150017755 /nfs/dbraw/zinc/01/77/55/150017755.db2.gz LCRYSKFXBYWWCL-UZRSSAJHSA-N 2 1 300.446 2.883 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C/c1ccccc1 ZINC000371294487 150017759 /nfs/dbraw/zinc/01/77/59/150017759.db2.gz LCRYSKFXBYWWCL-UZRSSAJHSA-N 2 1 300.446 2.883 20 0 DFADMP CCOC(=O)[C@@H](CC)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329285 150023774 /nfs/dbraw/zinc/02/37/74/150023774.db2.gz GSGLJCZQRIXXMJ-GDBMZVCRSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)c1noc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000371329812 150024014 /nfs/dbraw/zinc/02/40/14/150024014.db2.gz OAXQQZSBEJGIDI-CQSZACIVSA-N 2 1 318.465 2.889 20 0 DFADMP CC(C)c1noc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000371329812 150024017 /nfs/dbraw/zinc/02/40/17/150024017.db2.gz OAXQQZSBEJGIDI-CQSZACIVSA-N 2 1 318.465 2.889 20 0 DFADMP CC(C)c1noc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000371329812 150024021 /nfs/dbraw/zinc/02/40/21/150024021.db2.gz OAXQQZSBEJGIDI-CQSZACIVSA-N 2 1 318.465 2.889 20 0 DFADMP CC(C)c1noc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000371329811 150024610 /nfs/dbraw/zinc/02/46/10/150024610.db2.gz OAXQQZSBEJGIDI-AWEZNQCLSA-N 2 1 318.465 2.889 20 0 DFADMP CC(C)c1noc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000371329811 150024614 /nfs/dbraw/zinc/02/46/14/150024614.db2.gz OAXQQZSBEJGIDI-AWEZNQCLSA-N 2 1 318.465 2.889 20 0 DFADMP CC(C)c1noc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000371329811 150024616 /nfs/dbraw/zinc/02/46/16/150024616.db2.gz OAXQQZSBEJGIDI-AWEZNQCLSA-N 2 1 318.465 2.889 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371403031 150040119 /nfs/dbraw/zinc/04/01/19/150040119.db2.gz HSLZRMDBUFVKPQ-QYZOEREBSA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371403031 150040123 /nfs/dbraw/zinc/04/01/23/150040123.db2.gz HSLZRMDBUFVKPQ-QYZOEREBSA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000371403031 150040127 /nfs/dbraw/zinc/04/01/27/150040127.db2.gz HSLZRMDBUFVKPQ-QYZOEREBSA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371403031 150040130 /nfs/dbraw/zinc/04/01/30/150040130.db2.gz HSLZRMDBUFVKPQ-QYZOEREBSA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371403031 150040136 /nfs/dbraw/zinc/04/01/36/150040136.db2.gz HSLZRMDBUFVKPQ-QYZOEREBSA-N 2 1 322.456 2.993 20 0 DFADMP CC(=O)Nc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371403954 150040909 /nfs/dbraw/zinc/04/09/09/150040909.db2.gz YPWJFPAPUFYJMD-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371403954 150040911 /nfs/dbraw/zinc/04/09/11/150040911.db2.gz YPWJFPAPUFYJMD-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371403954 150040912 /nfs/dbraw/zinc/04/09/12/150040912.db2.gz YPWJFPAPUFYJMD-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371403954 150040914 /nfs/dbraw/zinc/04/09/14/150040914.db2.gz YPWJFPAPUFYJMD-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000371403954 150040917 /nfs/dbraw/zinc/04/09/17/150040917.db2.gz YPWJFPAPUFYJMD-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H](C)C1 ZINC000371446228 150048131 /nfs/dbraw/zinc/04/81/31/150048131.db2.gz CBFORYHLJWZCFL-HOJRLLLISA-N 2 1 306.454 2.724 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2c3ccccc3CC[C@H]2[NH+](C)C)CC[N@H+]1C ZINC000371484243 150054021 /nfs/dbraw/zinc/05/40/21/150054021.db2.gz BKJPALUGXNECEZ-YCEFEEMOSA-N 2 1 301.478 2.676 20 0 DFADMP C[C@H](c1cnccn1)[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000372035125 150128250 /nfs/dbraw/zinc/12/82/50/150128250.db2.gz BDIVYDMFQVHKBT-OAHLLOKOSA-N 2 1 311.433 2.529 20 0 DFADMP C[C@H](c1cnccn1)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372035125 150128253 /nfs/dbraw/zinc/12/82/53/150128253.db2.gz BDIVYDMFQVHKBT-OAHLLOKOSA-N 2 1 311.433 2.529 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(Cc3nc4ccc(F)cc4o3)CC[C@H]21 ZINC000372048507 150129092 /nfs/dbraw/zinc/12/90/92/150129092.db2.gz ZQHICHFDKAGDJI-SWLSCSKDSA-N 2 1 303.381 2.883 20 0 DFADMP CN1Cc2ccccc2[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000372299305 150161098 /nfs/dbraw/zinc/16/10/98/150161098.db2.gz XWRKPOYMRGWEEW-OALUTQOASA-N 2 1 323.440 2.592 20 0 DFADMP C[N@@H+](CCN1CCC[C@@H]1[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000372357558 150166243 /nfs/dbraw/zinc/16/62/43/150166243.db2.gz PTJHYSLTDGBHSL-RTBURBONSA-N 2 1 319.468 2.816 20 0 DFADMP C[NH+](CCN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000372357558 150166245 /nfs/dbraw/zinc/16/62/45/150166245.db2.gz PTJHYSLTDGBHSL-RTBURBONSA-N 2 1 319.468 2.816 20 0 DFADMP C[NH+](CCN1CCC[C@@H]1[C@H]1CCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000372357558 150166246 /nfs/dbraw/zinc/16/62/46/150166246.db2.gz PTJHYSLTDGBHSL-RTBURBONSA-N 2 1 319.468 2.816 20 0 DFADMP Cc1nnc([C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000372949022 150205979 /nfs/dbraw/zinc/20/59/79/150205979.db2.gz SBBWILGIPJZACH-ZDUSSCGKSA-N 2 1 315.421 2.682 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@@H]1Cc3[nH]c4ccccc4c3C1)CC2 ZINC000373020996 150217143 /nfs/dbraw/zinc/21/71/43/150217143.db2.gz DPTUQTFFENOCQL-KBPBESRZSA-N 2 1 306.413 2.684 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374014997 150293052 /nfs/dbraw/zinc/29/30/52/150293052.db2.gz RODRNXQWTSDMFB-SOLBZPMBSA-N 2 1 321.465 2.630 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@H](C)C2)C1 ZINC000374014997 150293054 /nfs/dbraw/zinc/29/30/54/150293054.db2.gz RODRNXQWTSDMFB-SOLBZPMBSA-N 2 1 321.465 2.630 20 0 DFADMP CCOC[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000354558829 286179891 /nfs/dbraw/zinc/17/98/91/286179891.db2.gz AOCYXAUAYBQBJM-QZTJIDSGSA-N 2 1 324.509 2.816 20 0 DFADMP COc1cccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1F ZINC000374371914 150353791 /nfs/dbraw/zinc/35/37/91/150353791.db2.gz BGNMPWXCNIRLMZ-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1cccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1F ZINC000374371914 150353796 /nfs/dbraw/zinc/35/37/96/150353796.db2.gz BGNMPWXCNIRLMZ-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374431189 150366511 /nfs/dbraw/zinc/36/65/11/150366511.db2.gz WKVUNZDEUYDTTR-GUDVDZBRSA-N 2 1 302.462 2.987 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000374461349 150370958 /nfs/dbraw/zinc/37/09/58/150370958.db2.gz MJOXLGTXMKQQDP-HRCADAONSA-N 2 1 318.465 2.688 20 0 DFADMP Cc1sccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351699657 286197282 /nfs/dbraw/zinc/19/72/82/286197282.db2.gz CJJARDYLIWRLMI-WMLDXEAASA-N 2 1 307.507 2.514 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000351857239 286233235 /nfs/dbraw/zinc/23/32/35/286233235.db2.gz XBKBZIKDTOHWOH-DGCLKSJQSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857455 286233320 /nfs/dbraw/zinc/23/33/20/286233320.db2.gz BMALPNVHIOQEDT-AAEUAGOBSA-N 2 1 320.824 2.602 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC000271630532 286245261 /nfs/dbraw/zinc/24/52/61/286245261.db2.gz BJWFTMNIODQMBS-UKRRQHHQSA-N 2 1 322.449 2.847 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000352004732 286267230 /nfs/dbraw/zinc/26/72/30/286267230.db2.gz PRMBTQGROCCYSZ-CYBMUJFWSA-N 2 1 312.360 2.782 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[N@@H+]1C ZINC000352015169 286270240 /nfs/dbraw/zinc/27/02/40/286270240.db2.gz PHGLKIDOIXEIKT-YPMHNXCESA-N 2 1 312.360 2.923 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[N@H+]1C ZINC000352015169 286270241 /nfs/dbraw/zinc/27/02/41/286270241.db2.gz PHGLKIDOIXEIKT-YPMHNXCESA-N 2 1 312.360 2.923 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[NH+]1C ZINC000352015169 286270242 /nfs/dbraw/zinc/27/02/42/286270242.db2.gz PHGLKIDOIXEIKT-YPMHNXCESA-N 2 1 312.360 2.923 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[NH+]1C ZINC000352015169 286270243 /nfs/dbraw/zinc/27/02/43/286270243.db2.gz PHGLKIDOIXEIKT-YPMHNXCESA-N 2 1 312.360 2.923 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018054 286270937 /nfs/dbraw/zinc/27/09/37/286270937.db2.gz MZZLCIAAZDTZTM-IEBWSBKVSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018054 286270939 /nfs/dbraw/zinc/27/09/39/286270939.db2.gz MZZLCIAAZDTZTM-IEBWSBKVSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000352018054 286270941 /nfs/dbraw/zinc/27/09/41/286270941.db2.gz MZZLCIAAZDTZTM-IEBWSBKVSA-N 2 1 300.446 2.940 20 0 DFADMP C[N@H+]1CC[C@@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccccc1 ZINC000352099173 286291220 /nfs/dbraw/zinc/29/12/20/286291220.db2.gz FFPKZYGSSVJAKK-GUDVDZBRSA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CC[C@@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000352099173 286291222 /nfs/dbraw/zinc/29/12/22/286291222.db2.gz FFPKZYGSSVJAKK-GUDVDZBRSA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CC[C@@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000352099173 286291223 /nfs/dbraw/zinc/29/12/23/286291223.db2.gz FFPKZYGSSVJAKK-GUDVDZBRSA-N 2 1 301.478 2.896 20 0 DFADMP C[N@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000352099175 286291317 /nfs/dbraw/zinc/29/13/17/286291317.db2.gz FFPKZYGSSVJAKK-QYZOEREBSA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CC[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000352099175 286291318 /nfs/dbraw/zinc/29/13/18/286291318.db2.gz FFPKZYGSSVJAKK-QYZOEREBSA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CC[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000352099175 286291319 /nfs/dbraw/zinc/29/13/19/286291319.db2.gz FFPKZYGSSVJAKK-QYZOEREBSA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+](C)Cc1cnc(CNCC2([NH+](C)C)CCCCC2)s1 ZINC000352241999 286326875 /nfs/dbraw/zinc/32/68/75/286326875.db2.gz OAZBCONTYVASCD-UHFFFAOYSA-N 2 1 310.511 2.559 20 0 DFADMP Cc1ccsc1CNC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352488810 286386471 /nfs/dbraw/zinc/38/64/71/286386471.db2.gz UYIZKKXIONVSAK-UHFFFAOYSA-N 2 1 323.506 2.514 20 0 DFADMP Cc1cccc2nc(C[N@@H+](CCC[NH3+])CC3CCCC3)cn21 ZINC000352520555 286396617 /nfs/dbraw/zinc/39/66/17/286396617.db2.gz ZNCKQELBNVRDJW-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP CCOCc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352525107 286397776 /nfs/dbraw/zinc/39/77/76/286397776.db2.gz DQIBZBHRTFLTIH-IBGZPJMESA-N 2 1 318.461 2.807 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352525107 286397777 /nfs/dbraw/zinc/39/77/77/286397777.db2.gz DQIBZBHRTFLTIH-IBGZPJMESA-N 2 1 318.461 2.807 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)s1 ZINC000352735883 286454433 /nfs/dbraw/zinc/45/44/33/286454433.db2.gz JCXKGOFQWHBJMU-TZMCWYRMSA-N 2 1 311.495 2.888 20 0 DFADMP C[NH+](C)Cc1cnc(CNC[C@H](C2CCCCC2)[NH+](C)C)s1 ZINC000352772364 286462963 /nfs/dbraw/zinc/46/29/63/286462963.db2.gz QDMJFLUWGIQENM-MRXNPFEDSA-N 2 1 324.538 2.805 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182892761 158010112 /nfs/dbraw/zinc/01/01/12/158010112.db2.gz KIFAINCEPZSHAE-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182892761 158010116 /nfs/dbraw/zinc/01/01/16/158010116.db2.gz KIFAINCEPZSHAE-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP CCOC(CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)OCC ZINC000184971418 158041499 /nfs/dbraw/zinc/04/14/99/158041499.db2.gz JPEZKMPZJLHQLA-IRXDYDNUSA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)OCC ZINC000184971418 158041500 /nfs/dbraw/zinc/04/15/00/158041500.db2.gz JPEZKMPZJLHQLA-IRXDYDNUSA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)OCC ZINC000184971418 158041501 /nfs/dbraw/zinc/04/15/01/158041501.db2.gz JPEZKMPZJLHQLA-IRXDYDNUSA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)OCC ZINC000184971418 158041502 /nfs/dbraw/zinc/04/15/02/158041502.db2.gz JPEZKMPZJLHQLA-IRXDYDNUSA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)OCC ZINC000184971418 158041503 /nfs/dbraw/zinc/04/15/03/158041503.db2.gz JPEZKMPZJLHQLA-IRXDYDNUSA-N 2 1 312.498 2.972 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000246460439 158092539 /nfs/dbraw/zinc/09/25/39/158092539.db2.gz YVZJAPUXWUBQST-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246460439 158092540 /nfs/dbraw/zinc/09/25/40/158092540.db2.gz YVZJAPUXWUBQST-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246460439 158092542 /nfs/dbraw/zinc/09/25/42/158092542.db2.gz YVZJAPUXWUBQST-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP COc1cccc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246810444 158101002 /nfs/dbraw/zinc/10/10/02/158101002.db2.gz NHECKXROPHMXKJ-WMLDXEAASA-N 2 1 301.434 2.539 20 0 DFADMP O=C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1 ZINC000246831373 158101850 /nfs/dbraw/zinc/10/18/50/158101850.db2.gz ODGOYUTXUHUYAH-MAUKXSAKSA-N 2 1 313.445 2.574 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246882349 158103949 /nfs/dbraw/zinc/10/39/49/158103949.db2.gz DZPXPUAGGRHCAQ-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000247053013 158117128 /nfs/dbraw/zinc/11/71/28/158117128.db2.gz MGDYBTIUQDTRLP-BMFZPTHFSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000247053013 158117130 /nfs/dbraw/zinc/11/71/30/158117130.db2.gz MGDYBTIUQDTRLP-BMFZPTHFSA-N 2 1 307.869 2.991 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)o1 ZINC000247066279 158118351 /nfs/dbraw/zinc/11/83/51/158118351.db2.gz PXRHZTPUEKLCHQ-XIRDDKMYSA-N 2 1 305.466 2.797 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)o1 ZINC000247066279 158118353 /nfs/dbraw/zinc/11/83/53/158118353.db2.gz PXRHZTPUEKLCHQ-XIRDDKMYSA-N 2 1 305.466 2.797 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000247062341 158118452 /nfs/dbraw/zinc/11/84/52/158118452.db2.gz PQIPJPJESQSSIA-WDSOQIARSA-N 2 1 303.494 2.918 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062341 158118454 /nfs/dbraw/zinc/11/84/54/158118454.db2.gz PQIPJPJESQSSIA-WDSOQIARSA-N 2 1 303.494 2.918 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062341 158118456 /nfs/dbraw/zinc/11/84/56/158118456.db2.gz PQIPJPJESQSSIA-WDSOQIARSA-N 2 1 303.494 2.918 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247224937 158123501 /nfs/dbraw/zinc/12/35/01/158123501.db2.gz XXEUJFPPZGLXAC-CVEARBPZSA-N 2 1 313.449 2.650 20 0 DFADMP CC[C@@H]1CN(C[C@H](C)C[N@@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000247234961 158125176 /nfs/dbraw/zinc/12/51/76/158125176.db2.gz YAKPMBPDKYZSTP-UYTYNIKBSA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@@H]1CN(C[C@H](C)C[N@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000247234961 158125180 /nfs/dbraw/zinc/12/51/80/158125180.db2.gz YAKPMBPDKYZSTP-UYTYNIKBSA-N 2 1 312.498 2.621 20 0 DFADMP CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000247971026 158155396 /nfs/dbraw/zinc/15/53/96/158155396.db2.gz JJVUHZVLMHHSTC-IPELMVKDSA-N 2 1 303.494 2.924 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H](C)C1 ZINC000248021152 158156929 /nfs/dbraw/zinc/15/69/29/158156929.db2.gz NRYAQPHBEFDOEI-LPHOPBHVSA-N 2 1 312.461 2.751 20 0 DFADMP CC[NH+](CC)CCCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248041319 158158869 /nfs/dbraw/zinc/15/88/69/158158869.db2.gz SZDBTQHVQTZINZ-MJGOQNOKSA-N 2 1 318.509 2.614 20 0 DFADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248041319 158158873 /nfs/dbraw/zinc/15/88/73/158158873.db2.gz SZDBTQHVQTZINZ-MJGOQNOKSA-N 3 1 318.509 2.614 20 0 DFADMP CC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000248067956 158160270 /nfs/dbraw/zinc/16/02/70/158160270.db2.gz ZZOAIRICSVPTKD-PXNSSMCTSA-N 2 1 315.505 2.971 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2cc(F)ccc21 ZINC000248131935 158161478 /nfs/dbraw/zinc/16/14/78/158161478.db2.gz ONYOSNGXVWHGEF-WMZOPIPTSA-N 2 1 306.425 2.640 20 0 DFADMP CC(C)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000248155881 158162658 /nfs/dbraw/zinc/16/26/58/158162658.db2.gz RJCPJEYUKUIRPM-HKUYNNGSSA-N 2 1 319.493 2.995 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000248385057 158168864 /nfs/dbraw/zinc/16/88/64/158168864.db2.gz HAPCREKDZOERQB-MAUKXSAKSA-N 2 1 312.461 2.907 20 0 DFADMP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000248391066 158170654 /nfs/dbraw/zinc/17/06/54/158170654.db2.gz BXRDSAIHPOVZNF-GUDVDZBRSA-N 2 1 314.473 2.913 20 0 DFADMP CCOCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248389176 158171155 /nfs/dbraw/zinc/17/11/55/158171155.db2.gz AOALRBVAGMHLFR-IPMKNSEASA-N 2 1 302.462 2.913 20 0 DFADMP COc1ncccc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248654629 158194561 /nfs/dbraw/zinc/19/45/61/158194561.db2.gz AQYAUHAINHWCBY-YOEHRIQHSA-N 2 1 301.434 2.539 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000248858586 158204591 /nfs/dbraw/zinc/20/45/91/158204591.db2.gz ABXIXHOSQLAPCQ-DLBZAZTESA-N 2 1 304.482 2.889 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000355053863 158262261 /nfs/dbraw/zinc/26/22/61/158262261.db2.gz IMMCMVREIBFNQJ-LPHOPBHVSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000355053863 158262262 /nfs/dbraw/zinc/26/22/62/158262262.db2.gz IMMCMVREIBFNQJ-LPHOPBHVSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355071960 158267139 /nfs/dbraw/zinc/26/71/39/158267139.db2.gz RLUUREFUDQDOTB-CVEARBPZSA-N 2 1 319.468 2.987 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)[C@H](C)C1 ZINC000356846028 158314063 /nfs/dbraw/zinc/31/40/63/158314063.db2.gz IZQACEMONWMCQD-TVFCKZIOSA-N 2 1 312.498 2.528 20 0 DFADMP CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000356872854 158317154 /nfs/dbraw/zinc/31/71/54/158317154.db2.gz PNAPAPPLOAJKHT-MANSERQUSA-N 2 1 302.462 2.504 20 0 DFADMP Cc1cnc([C@H](C)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000356973798 158335755 /nfs/dbraw/zinc/33/57/55/158335755.db2.gz CVCNVYIIKOCNEM-INIZCTEOSA-N 2 1 320.481 2.534 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC(C)C ZINC000357038965 158353603 /nfs/dbraw/zinc/35/36/03/158353603.db2.gz ANLOTPZDLAPVQQ-DLBZAZTESA-N 2 1 318.461 2.771 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC(C)C ZINC000357038965 158353605 /nfs/dbraw/zinc/35/36/05/158353605.db2.gz ANLOTPZDLAPVQQ-DLBZAZTESA-N 2 1 318.461 2.771 20 0 DFADMP FC(F)(F)c1ncc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000357047370 158357257 /nfs/dbraw/zinc/35/72/57/158357257.db2.gz JONSSJZKISPWAA-LLVKDONJSA-N 2 1 319.396 2.983 20 0 DFADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357084405 158363077 /nfs/dbraw/zinc/36/30/77/158363077.db2.gz QBWALKRFHIVYJK-TZMCWYRMSA-N 2 1 309.479 2.672 20 0 DFADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1cccc2ccccc21 ZINC000357087392 158363428 /nfs/dbraw/zinc/36/34/28/158363428.db2.gz NOAVRBRKPDMVNV-SJORKVTESA-N 2 1 323.440 2.710 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1)Nc1cccc2ccccc21 ZINC000357087392 158363430 /nfs/dbraw/zinc/36/34/30/158363430.db2.gz NOAVRBRKPDMVNV-SJORKVTESA-N 2 1 323.440 2.710 20 0 DFADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc2ccccc21 ZINC000357087389 158363561 /nfs/dbraw/zinc/36/35/61/158363561.db2.gz NOAVRBRKPDMVNV-DLBZAZTESA-N 2 1 323.440 2.710 20 0 DFADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1)Nc1cccc2ccccc21 ZINC000357087389 158363563 /nfs/dbraw/zinc/36/35/63/158363563.db2.gz NOAVRBRKPDMVNV-DLBZAZTESA-N 2 1 323.440 2.710 20 0 DFADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc(Cl)c1 ZINC000358498486 158381601 /nfs/dbraw/zinc/38/16/01/158381601.db2.gz CIFKRFDYSSBDJZ-UHFFFAOYSA-N 2 1 321.852 2.744 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507457 158383456 /nfs/dbraw/zinc/38/34/56/158383456.db2.gz KKTIMNWMAPEXNX-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358514955 158385790 /nfs/dbraw/zinc/38/57/90/158385790.db2.gz YHOGUJAPJOGBGQ-UHFFFAOYSA-N 2 1 321.852 2.662 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2csc(-c3ccoc3)n2)CC1 ZINC000430564712 296795487 /nfs/dbraw/zinc/79/54/87/296795487.db2.gz CMZFODQZHISRBR-UHFFFAOYSA-N 2 1 321.446 2.733 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(SC)c2)CC1 ZINC000430597666 296799100 /nfs/dbraw/zinc/79/91/00/296799100.db2.gz MKXQHJLPGQHIGP-UHFFFAOYSA-N 2 1 321.490 2.669 20 0 DFADMP CCn1c(C[NH+]2CCC(C[NH2+]C)CC2)nc2cc(F)ccc21 ZINC000430934506 296813147 /nfs/dbraw/zinc/81/31/47/296813147.db2.gz PBBHTUWJSILTQX-UHFFFAOYSA-N 2 1 304.413 2.627 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)OCCO2 ZINC000128892495 196001796 /nfs/dbraw/zinc/00/17/96/196001796.db2.gz JGJNVKUQECLJIX-MRXNPFEDSA-N 2 1 304.434 2.764 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)OCCO2 ZINC000128892495 196001797 /nfs/dbraw/zinc/00/17/97/196001797.db2.gz JGJNVKUQECLJIX-MRXNPFEDSA-N 2 1 304.434 2.764 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)OCCO2 ZINC000128892495 196001798 /nfs/dbraw/zinc/00/17/98/196001798.db2.gz JGJNVKUQECLJIX-MRXNPFEDSA-N 2 1 304.434 2.764 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)OCCO2 ZINC000128892495 196001799 /nfs/dbraw/zinc/00/17/99/196001799.db2.gz JGJNVKUQECLJIX-MRXNPFEDSA-N 2 1 304.434 2.764 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000129016750 196012390 /nfs/dbraw/zinc/01/23/90/196012390.db2.gz UPTUBLZILRVHAD-BASYENTBSA-N 2 1 306.450 2.781 20 0 DFADMP C[C@@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000130849024 196115620 /nfs/dbraw/zinc/11/56/20/196115620.db2.gz JGQPMSNOCXHGNP-KRWDZBQOSA-N 2 1 315.505 2.766 20 0 DFADMP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000132039198 196220979 /nfs/dbraw/zinc/22/09/79/196220979.db2.gz PVTNCUBCMZZVLK-OKZBNKHCSA-N 2 1 312.498 2.672 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000134085519 196360047 /nfs/dbraw/zinc/36/00/47/196360047.db2.gz WPRIQDONHLZABC-SUMWQHHRSA-N 2 1 312.417 2.500 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377623453 287283054 /nfs/dbraw/zinc/28/30/54/287283054.db2.gz JLNXYIFPNSZPOR-CEXWTWQISA-N 2 1 307.526 2.772 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368051549 287283531 /nfs/dbraw/zinc/28/35/31/287283531.db2.gz NPRUBKIBVFYDCJ-FGTMMUONSA-N 2 1 307.526 2.913 20 0 DFADMP CCC[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000054806365 425891356 /nfs/dbraw/zinc/89/13/56/425891356.db2.gz SJGYDLLOYLDCHX-MRXNPFEDSA-N 2 1 318.465 2.602 20 0 DFADMP Cc1ncc(C[N@H+]2CCC[C@H](c3noc(C(C)C)n3)C2)n1C ZINC000667571843 543633920 /nfs/dbraw/zinc/63/39/20/543633920.db2.gz DTQBQBGPFAWWGD-ZDUSSCGKSA-N 2 1 303.410 2.615 20 0 DFADMP Cn1ncc(C2CC2)c1C[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000667576912 543634968 /nfs/dbraw/zinc/63/49/68/543634968.db2.gz YYCOHPBWSOJLEZ-AWEZNQCLSA-N 2 1 311.433 2.627 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1C ZINC000667593011 543637843 /nfs/dbraw/zinc/63/78/43/543637843.db2.gz NJMRTWOPUNXQBM-KRWDZBQOSA-N 2 1 304.482 2.817 20 0 DFADMP CCC(CC)(CC)C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000667836078 543689078 /nfs/dbraw/zinc/68/90/78/543689078.db2.gz FDAAYOLHWFTUKB-UHFFFAOYSA-N 2 1 311.514 2.735 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000667884993 543698085 /nfs/dbraw/zinc/69/80/85/543698085.db2.gz IPXQCUKADQFURH-XYJFISCASA-N 2 1 320.477 2.715 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000667884993 543698087 /nfs/dbraw/zinc/69/80/87/543698087.db2.gz IPXQCUKADQFURH-XYJFISCASA-N 2 1 320.477 2.715 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681270 543658626 /nfs/dbraw/zinc/65/86/26/543658626.db2.gz FBLHYIXPDCWWHI-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681270 543658629 /nfs/dbraw/zinc/65/86/29/543658629.db2.gz FBLHYIXPDCWWHI-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681270 543658631 /nfs/dbraw/zinc/65/86/31/543658631.db2.gz FBLHYIXPDCWWHI-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681270 543658635 /nfs/dbraw/zinc/65/86/35/543658635.db2.gz FBLHYIXPDCWWHI-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667708603 543664638 /nfs/dbraw/zinc/66/46/38/543664638.db2.gz HLROZADKRRTDDK-JKSUJKDBSA-N 2 1 312.417 2.516 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667708603 543664640 /nfs/dbraw/zinc/66/46/40/543664640.db2.gz HLROZADKRRTDDK-JKSUJKDBSA-N 2 1 312.417 2.516 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c2cccs2)CC1 ZINC000667761976 543674439 /nfs/dbraw/zinc/67/44/39/543674439.db2.gz ILHYNBSNDRUUTN-QZWWFDLISA-N 2 1 319.518 2.815 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792565 543680417 /nfs/dbraw/zinc/68/04/17/543680417.db2.gz CSOVFVJTUHGBPA-AEFFLSMTSA-N 2 1 320.477 2.574 20 0 DFADMP COCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CC[C@H](C)C1 ZINC000668055995 543731632 /nfs/dbraw/zinc/73/16/32/543731632.db2.gz PXASLVTZNVWJQU-DOTOQJQBSA-N 2 1 314.433 2.904 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961946 543713928 /nfs/dbraw/zinc/71/39/28/543713928.db2.gz BYWKFWWZUNOURA-FCLVOEFKSA-N 2 1 300.446 2.531 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961948 543713955 /nfs/dbraw/zinc/71/39/55/543713955.db2.gz BYWKFWWZUNOURA-OAOYMFHYSA-N 2 1 300.446 2.531 20 0 DFADMP CN1CCC([N@H+](Cc2cnn3c2CCC3)Cc2ccccc2)CC1 ZINC000668171583 543758537 /nfs/dbraw/zinc/75/85/37/543758537.db2.gz QCVITXYMUSZKOY-UHFFFAOYSA-N 2 1 324.472 2.926 20 0 DFADMP CN1CCC([N@@H+](Cc2cnn3c2CCC3)Cc2ccccc2)CC1 ZINC000668171583 543758539 /nfs/dbraw/zinc/75/85/39/543758539.db2.gz QCVITXYMUSZKOY-UHFFFAOYSA-N 2 1 324.472 2.926 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@]3(CCSC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668226428 543772472 /nfs/dbraw/zinc/77/24/72/543772472.db2.gz LWHAYJBWJJUUDG-QGZVFWFLSA-N 2 1 314.458 2.986 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@]3(CCSC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668226428 543772476 /nfs/dbraw/zinc/77/24/76/543772476.db2.gz LWHAYJBWJJUUDG-QGZVFWFLSA-N 2 1 314.458 2.986 20 0 DFADMP C[C@H](O)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000668701971 543848260 /nfs/dbraw/zinc/84/82/60/543848260.db2.gz ULEGMDLPXDFDQC-RDJZCZTQSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@H](O)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000668701971 543848261 /nfs/dbraw/zinc/84/82/61/543848261.db2.gz ULEGMDLPXDFDQC-RDJZCZTQSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668694116 543847052 /nfs/dbraw/zinc/84/70/52/543847052.db2.gz ZVBFTUCXPJGFKT-VQIMIIECSA-N 2 1 302.462 2.708 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000296570250 226003413 /nfs/dbraw/zinc/00/34/13/226003413.db2.gz VZFHKZHNCOIIMP-YJBOKZPZSA-N 2 1 317.477 2.623 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000669699736 543985584 /nfs/dbraw/zinc/98/55/84/543985584.db2.gz YMHIICAQEHIKLU-LPHOPBHVSA-N 2 1 300.446 2.718 20 0 DFADMP CCC1CC([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000671294171 544064947 /nfs/dbraw/zinc/06/49/47/544064947.db2.gz TWJGJFQSKASRJT-GPANFISMSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740774 544104807 /nfs/dbraw/zinc/10/48/07/544104807.db2.gz COVJLNGVBWMHNO-RYUDHWBXSA-N 2 1 301.390 2.668 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671742512 544105068 /nfs/dbraw/zinc/10/50/68/544105068.db2.gz DHKNACIIFPLSJK-QWHCGFSZSA-N 2 1 303.406 2.916 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000671748410 544106071 /nfs/dbraw/zinc/10/60/71/544106071.db2.gz GUPFXFHBTVIOPA-RANZSIQMSA-N 2 1 316.445 2.981 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000672618896 544143759 /nfs/dbraw/zinc/14/37/59/544143759.db2.gz FLBCXEDYNNXXNV-BGTYHANMSA-N 2 1 322.880 2.878 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000672618911 544144063 /nfs/dbraw/zinc/14/40/63/544144063.db2.gz FLBCXEDYNNXXNV-UBDQQSCGSA-N 2 1 322.880 2.878 20 0 DFADMP Fc1ccccc1N1CC[C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000297333000 227022835 /nfs/dbraw/zinc/02/28/35/227022835.db2.gz DOVMSRYLVIPRMP-OAHLLOKOSA-N 2 1 317.452 2.868 20 0 DFADMP C[C@@H](CC[NH2+]Cc1c[nH]c2nccnc12)[N@@H+](C)Cc1ccccc1 ZINC000290977837 222045962 /nfs/dbraw/zinc/04/59/62/222045962.db2.gz YGIYAHUNLLFDFA-HNNXBMFYSA-N 2 1 323.444 2.958 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291133512 222162517 /nfs/dbraw/zinc/16/25/17/222162517.db2.gz HAUWVMBMBIXFBG-KONPQCLYSA-N 2 1 319.468 2.970 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000674266377 544227995 /nfs/dbraw/zinc/22/79/95/544227995.db2.gz RVIPCAMSDSCWHG-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000674266377 544227996 /nfs/dbraw/zinc/22/79/96/544227996.db2.gz RVIPCAMSDSCWHG-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000675131058 544286205 /nfs/dbraw/zinc/28/62/05/544286205.db2.gz GFAGEDJLFUPUIX-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000675131058 544286206 /nfs/dbraw/zinc/28/62/06/544286206.db2.gz GFAGEDJLFUPUIX-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000675131058 544286209 /nfs/dbraw/zinc/28/62/09/544286209.db2.gz GFAGEDJLFUPUIX-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000675131058 544286211 /nfs/dbraw/zinc/28/62/11/544286211.db2.gz GFAGEDJLFUPUIX-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)c(F)c1 ZINC000297555513 227295113 /nfs/dbraw/zinc/29/51/13/227295113.db2.gz GUZVOCKCQCRPIH-HOTGVXAUSA-N 2 1 323.799 2.875 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2OC)[C@H](C)C1 ZINC000675813757 544338470 /nfs/dbraw/zinc/33/84/70/544338470.db2.gz LCNSCCMHGNONDI-HZPDHXFCSA-N 2 1 306.450 2.784 20 0 DFADMP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883270 544341338 /nfs/dbraw/zinc/34/13/38/544341338.db2.gz ZGSUMPWRSZCOQV-GOEBONIOSA-N 2 1 308.491 2.912 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442868241 297208873 /nfs/dbraw/zinc/20/88/73/297208873.db2.gz NJBLSFFJORPTCV-ZWKOTPCHSA-N 2 1 307.526 2.963 20 0 DFADMP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000676995955 544419072 /nfs/dbraw/zinc/41/90/72/544419072.db2.gz HZIHRBHJTSPCEK-DAWZGUTISA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000677040265 544424738 /nfs/dbraw/zinc/42/47/38/544424738.db2.gz GFUCVXUXROYUJO-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000677040265 544424743 /nfs/dbraw/zinc/42/47/43/544424743.db2.gz GFUCVXUXROYUJO-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677040265 544424746 /nfs/dbraw/zinc/42/47/46/544424746.db2.gz GFUCVXUXROYUJO-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000677040265 544424750 /nfs/dbraw/zinc/42/47/50/544424750.db2.gz GFUCVXUXROYUJO-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccn(C)n2)C[N@H+]1Cc1ccccc1 ZINC000677129234 544438094 /nfs/dbraw/zinc/43/80/94/544438094.db2.gz OMJTVSLJHOZJQN-SJLPKXTDSA-N 2 1 312.461 2.810 20 0 DFADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000677139053 544440271 /nfs/dbraw/zinc/44/02/71/544440271.db2.gz RJNARNLEKXTSJM-WYMLVPIESA-N 2 1 308.853 2.790 20 0 DFADMP Cc1noc(C)c1CC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000677378523 544480252 /nfs/dbraw/zinc/48/02/52/544480252.db2.gz OUJHQKVOVXNLSX-MRXNPFEDSA-N 2 1 314.433 2.971 20 0 DFADMP Cc1noc(C)c1CC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000677378523 544480257 /nfs/dbraw/zinc/48/02/57/544480257.db2.gz OUJHQKVOVXNLSX-MRXNPFEDSA-N 2 1 314.433 2.971 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805779 544543583 /nfs/dbraw/zinc/54/35/83/544543583.db2.gz POIIPZZGVLBPTP-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP CC1(C)C[C@@H](NCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000677803959 544543601 /nfs/dbraw/zinc/54/36/01/544543601.db2.gz CLAQZUHSZSGGSE-GOSISDBHSA-N 2 1 301.478 2.725 20 0 DFADMP CC1(C)C[C@@H](NCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000677803959 544543606 /nfs/dbraw/zinc/54/36/06/544543606.db2.gz CLAQZUHSZSGGSE-GOSISDBHSA-N 2 1 301.478 2.725 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000677819287 544546910 /nfs/dbraw/zinc/54/69/10/544546910.db2.gz WLHFIXWNUSWMHQ-UHFFFAOYSA-N 2 1 300.406 2.589 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@@H]32)cc1 ZINC000678333589 544652699 /nfs/dbraw/zinc/65/26/99/544652699.db2.gz DRESFXLZYPSFRD-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCOC(C)(C)C2)cc1 ZINC000678272014 544640284 /nfs/dbraw/zinc/64/02/84/544640284.db2.gz ZAKPLJPLOYTMMZ-UHFFFAOYSA-N 2 1 306.450 2.628 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cccc(F)c3n2)C[C@@H]1C ZINC000678276599 544641154 /nfs/dbraw/zinc/64/11/54/544641154.db2.gz KEPUFUZVXRHKHN-ZFWWWQNUSA-N 2 1 304.413 2.778 20 0 DFADMP C[C@@H]1COCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678275332 544641498 /nfs/dbraw/zinc/64/14/98/544641498.db2.gz VUJMHGYHDZZDFA-QGZVFWFLSA-N 2 1 318.461 2.772 20 0 DFADMP C(c1nc2c(s1)CCC2)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000678813878 544726597 /nfs/dbraw/zinc/72/65/97/544726597.db2.gz OMMVPWOMNXWUJA-UHFFFAOYSA-N 2 1 305.491 2.940 20 0 DFADMP CCC[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679039239 544773941 /nfs/dbraw/zinc/77/39/41/544773941.db2.gz ZLHWMDNTKHNQGT-GOSISDBHSA-N 2 1 304.478 2.834 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000679074241 544779830 /nfs/dbraw/zinc/77/98/30/544779830.db2.gz AFMSBZCFQZDTLH-UKBAYJJMSA-N 2 1 307.526 2.959 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3CCO[C@@H](C)C3)C2)c1 ZINC000679331110 544835480 /nfs/dbraw/zinc/83/54/80/544835480.db2.gz DIWCTYRUWFMXPJ-BBWFWOEESA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3CCO[C@@H](C)C3)C2)c1 ZINC000679331110 544835482 /nfs/dbraw/zinc/83/54/82/544835482.db2.gz DIWCTYRUWFMXPJ-BBWFWOEESA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@H]1CCC[N@@H+](CC[C@@H](C)[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000679953998 544933454 /nfs/dbraw/zinc/93/34/54/544933454.db2.gz OBHIYUBYBUGDBY-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953998 544933456 /nfs/dbraw/zinc/93/34/56/544933456.db2.gz OBHIYUBYBUGDBY-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953998 544933458 /nfs/dbraw/zinc/93/34/58/544933458.db2.gz OBHIYUBYBUGDBY-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000680333502 544991753 /nfs/dbraw/zinc/99/17/53/544991753.db2.gz CSUGFWDWAUEKRU-KSZLIROESA-N 2 1 300.446 2.769 20 0 DFADMP COc1ccc(COCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000680076587 544955832 /nfs/dbraw/zinc/95/58/32/544955832.db2.gz OPEONPDJPSPSDX-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP COc1ccc(COCC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000680076587 544955838 /nfs/dbraw/zinc/95/58/38/544955838.db2.gz OPEONPDJPSPSDX-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000680112339 544960879 /nfs/dbraw/zinc/96/08/79/544960879.db2.gz VHGVXPKKDZXMIA-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000680112339 544960883 /nfs/dbraw/zinc/96/08/83/544960883.db2.gz VHGVXPKKDZXMIA-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680112339 544960888 /nfs/dbraw/zinc/96/08/88/544960888.db2.gz VHGVXPKKDZXMIA-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680112339 544960894 /nfs/dbraw/zinc/96/08/94/544960894.db2.gz VHGVXPKKDZXMIA-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP c1n[nH]cc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680146653 544963703 /nfs/dbraw/zinc/96/37/03/544963703.db2.gz ZWIYIHGCOIZXKA-FHWLQOOXSA-N 2 1 310.445 2.800 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(CC)CC)CC1 ZINC000066960709 425907723 /nfs/dbraw/zinc/90/77/23/425907723.db2.gz VXOSFGYFOJUBRW-MRXNPFEDSA-N 2 1 311.514 2.687 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCCCC1 ZINC000067284931 425909486 /nfs/dbraw/zinc/90/94/86/425909486.db2.gz VDOUMPRYCKHTDM-DOTOQJQBSA-N 2 1 321.465 2.509 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124507042 425922873 /nfs/dbraw/zinc/92/28/73/425922873.db2.gz XGVNMFBXWANFFE-INIZCTEOSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046374554 425864852 /nfs/dbraw/zinc/86/48/52/425864852.db2.gz YEXPGMMCRWTPCQ-HNNXBMFYSA-N 2 1 318.465 2.744 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCc2cccs2)CC1 ZINC000192748266 268047251 /nfs/dbraw/zinc/04/72/51/268047251.db2.gz DNHHZLNIDOEUFF-UHFFFAOYSA-N 2 1 309.523 2.639 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000192851029 268051899 /nfs/dbraw/zinc/05/18/99/268051899.db2.gz OOTONAPVHLGERK-VQIMIIECSA-N 2 1 317.477 2.760 20 0 DFADMP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1ccnn1C ZINC000192924229 268054069 /nfs/dbraw/zinc/05/40/69/268054069.db2.gz WVBDMVTVLQZIPZ-JKSUJKDBSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1ccnn1C ZINC000192924229 268054070 /nfs/dbraw/zinc/05/40/70/268054070.db2.gz WVBDMVTVLQZIPZ-JKSUJKDBSA-N 2 1 300.450 2.981 20 0 DFADMP COc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193549502 268072159 /nfs/dbraw/zinc/07/21/59/268072159.db2.gz IHOLUZJTPRRFIH-GOEBONIOSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ncccc1C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549502 268072161 /nfs/dbraw/zinc/07/21/61/268072161.db2.gz IHOLUZJTPRRFIH-GOEBONIOSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ncccc1C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193549528 268072645 /nfs/dbraw/zinc/07/26/45/268072645.db2.gz IHOLUZJTPRRFIH-HOCLYGCPSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ncccc1C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549528 268072646 /nfs/dbraw/zinc/07/26/46/268072646.db2.gz IHOLUZJTPRRFIH-HOCLYGCPSA-N 2 1 303.450 2.833 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2(C[NH3+])CCCC2)c1 ZINC000236662925 268148386 /nfs/dbraw/zinc/14/83/86/268148386.db2.gz JJMFZAWNFFESJW-UHFFFAOYSA-N 2 1 317.477 2.662 20 0 DFADMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000269131736 268188500 /nfs/dbraw/zinc/18/85/00/268188500.db2.gz LUBHHWBDFIWAQT-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000269131736 268188503 /nfs/dbraw/zinc/18/85/03/268188503.db2.gz LUBHHWBDFIWAQT-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)c1 ZINC000270650348 268196052 /nfs/dbraw/zinc/19/60/52/268196052.db2.gz QIBWKKKWDRJBCY-HKUYNNGSSA-N 2 1 312.461 2.692 20 0 DFADMP O[C@H]1c2ccccc2C[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000270781189 268215572 /nfs/dbraw/zinc/21/55/72/268215572.db2.gz JWXHGYWRWVNWGJ-OALUTQOASA-N 2 1 300.446 2.595 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](CC(=O)OCc2ccccc2)CC1 ZINC000270985270 268244140 /nfs/dbraw/zinc/24/41/40/268244140.db2.gz DCVJJFCYWPDNQD-UHFFFAOYSA-N 2 1 318.461 2.784 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000271449288 268249578 /nfs/dbraw/zinc/24/95/78/268249578.db2.gz DHALJMZNHCPHHV-IGNZVWTISA-N 2 1 324.415 2.993 20 0 DFADMP CC(C)[C@H](CCO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272656348 268252909 /nfs/dbraw/zinc/25/29/09/268252909.db2.gz LPOQTQLHYNUBKX-QRQLOZEOSA-N 2 1 304.478 2.894 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cncs3)C1)CCCC2 ZINC000275559902 268259910 /nfs/dbraw/zinc/25/99/10/268259910.db2.gz ICQHHFYKJXTHQO-CYBMUJFWSA-N 2 1 302.447 2.974 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cncs3)C1)CCCC2 ZINC000275559902 268259912 /nfs/dbraw/zinc/25/99/12/268259912.db2.gz ICQHHFYKJXTHQO-CYBMUJFWSA-N 2 1 302.447 2.974 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCNc3ccccc32)CC1(C)C ZINC000282146117 268272074 /nfs/dbraw/zinc/27/20/74/268272074.db2.gz CKEVBDBXYQGXBW-SFHVURJKSA-N 2 1 316.493 2.549 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000305125446 268329635 /nfs/dbraw/zinc/32/96/35/268329635.db2.gz KZZOEMBZSFYWSI-AYBZRNKSSA-N 2 1 302.462 2.746 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000309976207 268336770 /nfs/dbraw/zinc/33/67/70/268336770.db2.gz RGTPIFVWAXCUBD-CABCVRRESA-N 2 1 313.486 2.611 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccccc3Cl)C2)CC1 ZINC000107370954 425989690 /nfs/dbraw/zinc/98/96/90/425989690.db2.gz LMVDLPZEYYHJDV-KRWDZBQOSA-N 2 1 321.896 2.594 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000125952032 425997598 /nfs/dbraw/zinc/99/75/98/425997598.db2.gz SYYMTHKVXFCEKQ-SFHVURJKSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000158909625 425949464 /nfs/dbraw/zinc/94/94/64/425949464.db2.gz LBGNULWHPZFFCZ-MRXNPFEDSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158877087 425949804 /nfs/dbraw/zinc/94/98/04/425949804.db2.gz ZZXWKXXDALYVQT-QFBILLFUSA-N 2 1 302.462 2.665 20 0 DFADMP CC(C)[C@H](CO)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125034310 425951097 /nfs/dbraw/zinc/95/10/97/425951097.db2.gz RVHFJGRQJGGJHM-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H](CO)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000125034310 425951099 /nfs/dbraw/zinc/95/10/99/425951099.db2.gz RVHFJGRQJGGJHM-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H](CO)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000125034310 425951102 /nfs/dbraw/zinc/95/11/02/425951102.db2.gz RVHFJGRQJGGJHM-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000158962127 425951138 /nfs/dbraw/zinc/95/11/38/425951138.db2.gz SYVBDUROSLCELD-MJGOQNOKSA-N 2 1 302.462 2.665 20 0 DFADMP C[N@H+](CC[NH2+]C1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000103716249 425953150 /nfs/dbraw/zinc/95/31/50/425953150.db2.gz NDXJSGSHAOQIGF-UHFFFAOYSA-N 2 1 302.466 2.514 20 0 DFADMP C[N@@H+](CC[NH2+]C1CCN(c2ccccn2)CC1)C1CCCC1 ZINC000103716249 425953152 /nfs/dbraw/zinc/95/31/52/425953152.db2.gz NDXJSGSHAOQIGF-UHFFFAOYSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cccc(C[NH+]2CCC([NH2+][C@H](C)[C@H]3CCOC3)CC2)c1 ZINC000159327644 425957709 /nfs/dbraw/zinc/95/77/09/425957709.db2.gz VYPVOVCDIZKXBY-AEFFLSMTSA-N 2 1 302.462 2.974 20 0 DFADMP Cn1ccnc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000069779603 425958382 /nfs/dbraw/zinc/95/83/82/425958382.db2.gz NUTBVZWKSZPXTJ-UHFFFAOYSA-N 2 1 312.461 2.764 20 0 DFADMP Cn1ccnc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000069779603 425958385 /nfs/dbraw/zinc/95/83/85/425958385.db2.gz NUTBVZWKSZPXTJ-UHFFFAOYSA-N 2 1 312.461 2.764 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000104832264 425965252 /nfs/dbraw/zinc/96/52/52/425965252.db2.gz DCCRYVVQHDAINL-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1OC ZINC000070169333 425968676 /nfs/dbraw/zinc/96/86/76/425968676.db2.gz NDYXJHVSCYEXSF-LBPRGKRZSA-N 2 1 312.841 2.918 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000070170489 425969389 /nfs/dbraw/zinc/96/93/89/425969389.db2.gz HOYUFEFVPGXTHV-CYBMUJFWSA-N 2 1 302.447 2.766 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CC2CCCC2)CC1)Cc1ccccc1 ZINC000108865583 426023656 /nfs/dbraw/zinc/02/36/56/426023656.db2.gz YEZCVBURISOBMA-UHFFFAOYSA-N 2 1 315.505 2.926 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000126910751 426042070 /nfs/dbraw/zinc/04/20/70/426042070.db2.gz QMXOIAJTZGCZAO-PBHICJAKSA-N 2 1 308.491 2.975 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000126910751 426042072 /nfs/dbraw/zinc/04/20/72/426042072.db2.gz QMXOIAJTZGCZAO-PBHICJAKSA-N 2 1 308.491 2.975 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000162131642 426053224 /nfs/dbraw/zinc/05/32/24/426053224.db2.gz ATJWCASFQYCELR-QGZVFWFLSA-N 2 1 304.482 2.551 20 0 DFADMP COc1ccc([C@@H](CCO)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000162260366 426058252 /nfs/dbraw/zinc/05/82/52/426058252.db2.gz DRGDCDYWXSXVAQ-GOSISDBHSA-N 2 1 306.450 2.584 20 0 DFADMP Cc1[nH+]ccn1CCCN1CC[NH+](C2CCC(C)CC2)CC1 ZINC000127362618 426063260 /nfs/dbraw/zinc/06/32/60/426063260.db2.gz CQAPDAPRSSAGTF-UHFFFAOYSA-N 2 1 304.482 2.778 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000126353198 426016400 /nfs/dbraw/zinc/01/64/00/426016400.db2.gz QUCWNPWGRAEPBH-UHFFFAOYSA-N 2 1 303.450 2.977 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861295 426088131 /nfs/dbraw/zinc/08/81/31/426088131.db2.gz QJONVRXCSIBDTB-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861295 426088133 /nfs/dbraw/zinc/08/81/33/426088133.db2.gz QJONVRXCSIBDTB-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861295 426088136 /nfs/dbraw/zinc/08/81/36/426088136.db2.gz QJONVRXCSIBDTB-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861295 426088138 /nfs/dbraw/zinc/08/81/38/426088138.db2.gz QJONVRXCSIBDTB-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000127970849 426095153 /nfs/dbraw/zinc/09/51/53/426095153.db2.gz VIYSMWFFIOBIBP-ROUUACIJSA-N 2 1 317.477 2.623 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000128082437 426100967 /nfs/dbraw/zinc/10/09/67/426100967.db2.gz OZHCAHPXFRGHRW-ZFWWWQNUSA-N 2 1 323.868 2.578 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000128129884 426104085 /nfs/dbraw/zinc/10/40/85/426104085.db2.gz QJBZLNYGZYMPEQ-SJORKVTESA-N 2 1 317.477 2.541 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)cc(F)c1 ZINC000128442705 426118392 /nfs/dbraw/zinc/11/83/92/426118392.db2.gz WMQFSNBLRANIOX-AWEZNQCLSA-N 2 1 311.420 2.643 20 0 DFADMP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000164846752 426118494 /nfs/dbraw/zinc/11/84/94/426118494.db2.gz RFMXQEBOQLZMEN-DAYGRLMNSA-N 2 1 317.477 2.518 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000166281966 426127745 /nfs/dbraw/zinc/12/77/45/426127745.db2.gz FOXCPUXNMQOOFX-LJQANCHMSA-N 2 1 302.462 2.809 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)cc2)n1 ZINC000114479579 426136792 /nfs/dbraw/zinc/13/67/92/426136792.db2.gz GTHLOKPVCVHSIJ-GOSISDBHSA-N 2 1 312.461 2.873 20 0 DFADMP CCC[N@H+](C[C@H](O)CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128865493 426136845 /nfs/dbraw/zinc/13/68/45/426136845.db2.gz UTRHMMTVHGVTFT-QGZVFWFLSA-N 2 1 320.481 2.545 20 0 DFADMP CCC[N@@H+](C[C@H](O)CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128865493 426136847 /nfs/dbraw/zinc/13/68/47/426136847.db2.gz UTRHMMTVHGVTFT-QGZVFWFLSA-N 2 1 320.481 2.545 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCOC3)CC2)oc1C ZINC000162734009 426074901 /nfs/dbraw/zinc/07/49/01/426074901.db2.gz AOHVTTUOBCUTBO-RHSMWYFYSA-N 2 1 321.465 2.518 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000162799119 426077493 /nfs/dbraw/zinc/07/74/93/426077493.db2.gz XGYYKEZTZJBEKD-COXVUDFISA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000162799119 426077495 /nfs/dbraw/zinc/07/74/95/426077495.db2.gz XGYYKEZTZJBEKD-COXVUDFISA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000162799119 426077497 /nfs/dbraw/zinc/07/74/97/426077497.db2.gz XGYYKEZTZJBEKD-COXVUDFISA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000162799119 426077499 /nfs/dbraw/zinc/07/74/99/426077499.db2.gz XGYYKEZTZJBEKD-COXVUDFISA-N 2 1 308.853 2.790 20 0 DFADMP CC[C@@H](O)C[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000075717294 426082552 /nfs/dbraw/zinc/08/25/52/426082552.db2.gz KLARUNUFYCSXSO-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1nc(C[C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000162930943 426084334 /nfs/dbraw/zinc/08/43/34/426084334.db2.gz SCGKAMXHBPEHCF-INIZCTEOSA-N 2 1 317.437 2.618 20 0 DFADMP Cc1nc(C[C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000162930943 426084336 /nfs/dbraw/zinc/08/43/36/426084336.db2.gz SCGKAMXHBPEHCF-INIZCTEOSA-N 2 1 317.437 2.618 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835786 426085712 /nfs/dbraw/zinc/08/57/12/426085712.db2.gz TXRRVNVLSQOJMU-AWEZNQCLSA-N 2 1 308.388 2.763 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000116993831 426204120 /nfs/dbraw/zinc/20/41/20/426204120.db2.gz ODEPZAKIJKWOGH-MJGOQNOKSA-N 2 1 301.478 2.502 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000170718343 426147206 /nfs/dbraw/zinc/14/72/06/426147206.db2.gz JOZOCPFUKXUPLU-CQSZACIVSA-N 2 1 306.454 2.600 20 0 DFADMP C[C@H]1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H](C)O1 ZINC000130454493 426159979 /nfs/dbraw/zinc/15/99/79/426159979.db2.gz QBTGUJBGTCQORQ-HOTGVXAUSA-N 2 1 310.482 2.567 20 0 DFADMP Cc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000078601940 426176855 /nfs/dbraw/zinc/17/68/55/426176855.db2.gz VTMDPIONTGCVIW-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000078601940 426176858 /nfs/dbraw/zinc/17/68/58/426176858.db2.gz VTMDPIONTGCVIW-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCC(C)CC1 ZINC000116397323 426189343 /nfs/dbraw/zinc/18/93/43/426189343.db2.gz JAGDZBGJIHQOOW-CVEARBPZSA-N 2 1 311.514 2.589 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000171527141 426192369 /nfs/dbraw/zinc/19/23/69/426192369.db2.gz BDKOMYYBBLUNNH-KRWDZBQOSA-N 2 1 307.869 2.552 20 0 DFADMP C[C@](O)(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134879233 426198036 /nfs/dbraw/zinc/19/80/36/426198036.db2.gz QLKMOZRRWDZCJN-AHRSYUTCSA-N 2 1 314.473 2.843 20 0 DFADMP C[C@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134879233 426198040 /nfs/dbraw/zinc/19/80/40/426198040.db2.gz QLKMOZRRWDZCJN-AHRSYUTCSA-N 2 1 314.473 2.843 20 0 DFADMP C[C@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134879233 426198041 /nfs/dbraw/zinc/19/80/41/426198041.db2.gz QLKMOZRRWDZCJN-AHRSYUTCSA-N 2 1 314.473 2.843 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096502 426219667 /nfs/dbraw/zinc/21/96/67/426219667.db2.gz FVTSRNHLFANXEL-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096502 426219669 /nfs/dbraw/zinc/21/96/69/426219669.db2.gz FVTSRNHLFANXEL-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096502 426219671 /nfs/dbraw/zinc/21/96/71/426219671.db2.gz FVTSRNHLFANXEL-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP C[NH+](C)C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CCO1 ZINC000172151200 426222241 /nfs/dbraw/zinc/22/22/41/426222241.db2.gz SPDIGXYHXXVCNW-CYBMUJFWSA-N 2 1 305.809 2.655 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173525166 426242726 /nfs/dbraw/zinc/24/27/26/426242726.db2.gz FHWUODODPRXTAI-HZPDHXFCSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173525166 426242731 /nfs/dbraw/zinc/24/27/31/426242731.db2.gz FHWUODODPRXTAI-HZPDHXFCSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173525166 426242734 /nfs/dbraw/zinc/24/27/34/426242734.db2.gz FHWUODODPRXTAI-HZPDHXFCSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000173525166 426242737 /nfs/dbraw/zinc/24/27/37/426242737.db2.gz FHWUODODPRXTAI-HZPDHXFCSA-N 2 1 303.450 2.738 20 0 DFADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000084862175 426244924 /nfs/dbraw/zinc/24/49/24/426244924.db2.gz SZGBDEAKIXFTEO-UHFFFAOYSA-N 2 1 310.388 2.509 20 0 DFADMP Cc1ccc([C@@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965416 426251961 /nfs/dbraw/zinc/25/19/61/426251961.db2.gz YRAGCCDGMCXHQU-RNIPGJKVSA-N 2 1 303.494 2.916 20 0 DFADMP C[C@@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000174514308 426259197 /nfs/dbraw/zinc/25/91/97/426259197.db2.gz MBBLXPVEYUQWOP-APWZRJJASA-N 2 1 301.478 2.723 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccn3C)CC2)cs1 ZINC000119177035 426267862 /nfs/dbraw/zinc/26/78/62/426267862.db2.gz IHMVMJHWWMURMX-UHFFFAOYSA-N 2 1 318.490 2.792 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000174953572 426269967 /nfs/dbraw/zinc/26/99/67/426269967.db2.gz BBBMPZKNRZGFIH-HNNXBMFYSA-N 2 1 300.450 2.737 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2nc3ccccc3n2C)C1 ZINC000174953594 426270102 /nfs/dbraw/zinc/27/01/02/426270102.db2.gz BBBMPZKNRZGFIH-OAHLLOKOSA-N 2 1 300.450 2.737 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000174953491 426270371 /nfs/dbraw/zinc/27/03/71/426270371.db2.gz DWTJHAGUAPTIFF-OAHLLOKOSA-N 2 1 304.434 2.622 20 0 DFADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135331420 426214660 /nfs/dbraw/zinc/21/46/60/426214660.db2.gz UDFFDYXWFBKARI-MAUKXSAKSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000080718312 426215571 /nfs/dbraw/zinc/21/55/71/426215571.db2.gz GPRXUWOPRZFBKA-FBVQUNGASA-N 2 1 321.509 2.628 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000151340810 426290082 /nfs/dbraw/zinc/29/00/82/426290082.db2.gz MSSMKKPZUPJORV-RDJZCZTQSA-N 2 1 306.450 2.583 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151328211 426290648 /nfs/dbraw/zinc/29/06/48/426290648.db2.gz FFMICEAIVDTEBY-LPHOPBHVSA-N 2 1 318.461 2.509 20 0 DFADMP CC(C)[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000151474879 426297401 /nfs/dbraw/zinc/29/74/01/426297401.db2.gz UFNXXUIIVLTWDU-SJLPKXTDSA-N 2 1 319.493 2.599 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)[C@H](C)C1 ZINC000089673882 426301557 /nfs/dbraw/zinc/30/15/57/426301557.db2.gz YKMWETCHGFRWJE-HIFRSBDPSA-N 2 1 318.440 2.575 20 0 DFADMP COc1cccc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000175648116 426318909 /nfs/dbraw/zinc/31/89/09/426318909.db2.gz WPLDZAHKFZKMHL-CVEARBPZSA-N 2 1 320.477 2.781 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104654 426327079 /nfs/dbraw/zinc/32/70/79/426327079.db2.gz TUFONLWTNSNCRV-GPMSIDNRSA-N 2 1 312.461 2.750 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552608 426327110 /nfs/dbraw/zinc/32/71/10/426327110.db2.gz RTFPNCSXUYPFJV-MOPGFXCFSA-N 2 1 313.489 2.855 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552608 426327112 /nfs/dbraw/zinc/32/71/12/426327112.db2.gz RTFPNCSXUYPFJV-MOPGFXCFSA-N 2 1 313.489 2.855 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552608 426327115 /nfs/dbraw/zinc/32/71/15/426327115.db2.gz RTFPNCSXUYPFJV-MOPGFXCFSA-N 2 1 313.489 2.855 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090659848 426329245 /nfs/dbraw/zinc/32/92/45/426329245.db2.gz QEIIEVODAHKLJJ-IJEWVQPXSA-N 2 1 314.433 2.597 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090659837 426329811 /nfs/dbraw/zinc/32/98/11/426329811.db2.gz QEIIEVODAHKLJJ-FMKPAKJESA-N 2 1 314.433 2.597 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090888418 426333138 /nfs/dbraw/zinc/33/31/38/426333138.db2.gz SLGMYTWHEOTQEK-RVKKMQEKSA-N 2 1 320.477 2.955 20 0 DFADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151259150 426285804 /nfs/dbraw/zinc/28/58/04/426285804.db2.gz XZLYEHCOGBKVMC-MJGOQNOKSA-N 2 1 320.477 2.973 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCC2 ZINC000151272323 426287219 /nfs/dbraw/zinc/28/72/19/426287219.db2.gz SJLDSKHQFOSTCG-HNAYVOBHSA-N 2 1 302.462 2.673 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000122850353 426398593 /nfs/dbraw/zinc/39/85/93/426398593.db2.gz XUOBMFVVKZNDEU-CYBMUJFWSA-N 2 1 302.418 2.735 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000122867525 426400372 /nfs/dbraw/zinc/40/03/72/426400372.db2.gz RMVNHBRUBZYWJN-GOEBONIOSA-N 2 1 318.461 2.808 20 0 DFADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000091689260 426343525 /nfs/dbraw/zinc/34/35/25/426343525.db2.gz FDLVWZJAQZUIGP-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000091689260 426343529 /nfs/dbraw/zinc/34/35/29/426343529.db2.gz FDLVWZJAQZUIGP-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000122999988 426408054 /nfs/dbraw/zinc/40/80/54/426408054.db2.gz QQBZDICQHKOHSG-LPHOPBHVSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000122999988 426408058 /nfs/dbraw/zinc/40/80/58/426408058.db2.gz QQBZDICQHKOHSG-LPHOPBHVSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000122999988 426408060 /nfs/dbraw/zinc/40/80/60/426408060.db2.gz QQBZDICQHKOHSG-LPHOPBHVSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000122999988 426408064 /nfs/dbraw/zinc/40/80/64/426408064.db2.gz QQBZDICQHKOHSG-LPHOPBHVSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@@H](NCc2cccnc2OC2CCCC2)CC[N@H+]1C ZINC000153875426 426411024 /nfs/dbraw/zinc/41/10/24/426411024.db2.gz JZPFPHCXJLHNST-ZBFHGGJFSA-N 2 1 303.450 2.975 20 0 DFADMP C[C@H]1C[C@@H](NCc2cccnc2OC2CCCC2)CC[N@H+]1C ZINC000153875530 426411907 /nfs/dbraw/zinc/41/19/07/426411907.db2.gz JZPFPHCXJLHNST-HOCLYGCPSA-N 2 1 303.450 2.975 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]C2CC(c3ccccc3F)C2)CC1 ZINC000123184254 426418659 /nfs/dbraw/zinc/41/86/59/426418659.db2.gz SYBZSKYUMSLOQQ-UHFFFAOYSA-N 2 1 319.468 2.689 20 0 DFADMP Cc1cscc1NC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000123433099 426433955 /nfs/dbraw/zinc/43/39/55/426433955.db2.gz RXZBDUJHOPLONP-UHFFFAOYSA-N 2 1 324.494 2.546 20 0 DFADMP Cc1cscc1NC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000123433099 426433959 /nfs/dbraw/zinc/43/39/59/426433959.db2.gz RXZBDUJHOPLONP-UHFFFAOYSA-N 2 1 324.494 2.546 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)CC[N@@H+]1C ZINC000123671987 426447660 /nfs/dbraw/zinc/44/76/60/426447660.db2.gz OGVBYEKWWNZEHM-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC000123671987 426447662 /nfs/dbraw/zinc/44/76/62/426447662.db2.gz OGVBYEKWWNZEHM-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000123449575 426434376 /nfs/dbraw/zinc/43/43/76/426434376.db2.gz SEGFXEJLFKTXPH-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123449575 426434381 /nfs/dbraw/zinc/43/43/81/426434381.db2.gz SEGFXEJLFKTXPH-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123449575 426434384 /nfs/dbraw/zinc/43/43/84/426434384.db2.gz SEGFXEJLFKTXPH-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123449575 426434387 /nfs/dbraw/zinc/43/43/87/426434387.db2.gz SEGFXEJLFKTXPH-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123449575 426434390 /nfs/dbraw/zinc/43/43/90/426434390.db2.gz SEGFXEJLFKTXPH-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)CC[NH+]1C ZINC000123671987 426447665 /nfs/dbraw/zinc/44/76/65/426447665.db2.gz OGVBYEKWWNZEHM-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2)CC[NH+]1C ZINC000123671987 426447668 /nfs/dbraw/zinc/44/76/68/426447668.db2.gz OGVBYEKWWNZEHM-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000154365283 426437932 /nfs/dbraw/zinc/43/79/32/426437932.db2.gz CXLJQNALCJANNR-KRWDZBQOSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC[N@H+]1C ZINC000154446111 426440605 /nfs/dbraw/zinc/44/06/05/426440605.db2.gz ODDMOTGIXNMWFN-ZBFHGGJFSA-N 2 1 312.461 2.873 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3ccc(C)cc32)CC1 ZINC000154518603 426443812 /nfs/dbraw/zinc/44/38/12/426443812.db2.gz GHJPUMSQLXZPGR-HXUWFJFHSA-N 2 1 315.505 2.990 20 0 DFADMP COCC[N@@H+](CCCOc1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000340714176 269003292 /nfs/dbraw/zinc/00/32/92/269003292.db2.gz REOWMXHIRGZUTE-GOSISDBHSA-N 2 1 324.440 2.543 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000341332203 269071016 /nfs/dbraw/zinc/07/10/16/269071016.db2.gz SOUXREDPZMDGRQ-WAARBJQMSA-N 2 1 302.462 2.646 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)CC[N@@H+]1C ZINC000123863126 426457197 /nfs/dbraw/zinc/45/71/97/426457197.db2.gz KVAILSHMXAGKQB-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)CC[N@H+]1C ZINC000123863126 426457199 /nfs/dbraw/zinc/45/71/99/426457199.db2.gz KVAILSHMXAGKQB-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC[NH+]1C ZINC000123863126 426457203 /nfs/dbraw/zinc/45/72/03/426457203.db2.gz KVAILSHMXAGKQB-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)CC[NH+]1C ZINC000123863126 426457204 /nfs/dbraw/zinc/45/72/04/426457204.db2.gz KVAILSHMXAGKQB-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP C[NH+]1CCC([NH2+]CCOc2cccc(C(F)(F)F)c2)CC1 ZINC000177237726 426457933 /nfs/dbraw/zinc/45/79/33/426457933.db2.gz XVFHZFHLBOTCLC-UHFFFAOYSA-N 2 1 302.340 2.768 20 0 DFADMP CC[N@H+]1CC[C@@H](CNCc2cccc(OC)c2OC(F)F)C1 ZINC000124173386 426473030 /nfs/dbraw/zinc/47/30/30/426473030.db2.gz RDNDCSDOPUGSAI-LBPRGKRZSA-N 2 1 314.376 2.728 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000124173386 426473036 /nfs/dbraw/zinc/47/30/36/426473036.db2.gz RDNDCSDOPUGSAI-LBPRGKRZSA-N 2 1 314.376 2.728 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000124173386 426473038 /nfs/dbraw/zinc/47/30/38/426473038.db2.gz RDNDCSDOPUGSAI-LBPRGKRZSA-N 2 1 314.376 2.728 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000177460995 426480783 /nfs/dbraw/zinc/48/07/83/426480783.db2.gz KNHDNZMHGCJQRG-WBVHZDCISA-N 2 1 309.498 2.628 20 0 DFADMP COc1cc(C[NH2+]CCC[NH+](C)C)ccc1OCC(F)(F)F ZINC000101588703 426485039 /nfs/dbraw/zinc/48/50/39/426485039.db2.gz DTQBNZJIYMFTOQ-UHFFFAOYSA-N 2 1 320.355 2.678 20 0 DFADMP C[C@@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101629103 426485657 /nfs/dbraw/zinc/48/56/57/426485657.db2.gz YUEDSUYLLCLMNJ-XHSDSOJGSA-N 2 1 317.477 2.626 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177721755 426510546 /nfs/dbraw/zinc/51/05/46/426510546.db2.gz ORZSMPVHWMJXRV-GOSISDBHSA-N 2 1 323.525 2.830 20 0 DFADMP C[C@H]([NH2+]CCCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272377007 426511817 /nfs/dbraw/zinc/51/18/17/426511817.db2.gz BLYZKIICOGYAQU-HKUYNNGSSA-N 2 1 312.461 2.773 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)C12CCOCC2 ZINC000186356889 426512422 /nfs/dbraw/zinc/51/24/22/426512422.db2.gz VJNCRLZQCGUWLF-DLBZAZTESA-N 2 1 321.465 2.536 20 0 DFADMP C[NH+]1CCC(C)(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000272420100 426520798 /nfs/dbraw/zinc/52/07/98/426520798.db2.gz DCXRYQXXHIKGOY-UHFFFAOYSA-N 3 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(Br)n3)CC[C@H]21 ZINC000272444613 426524795 /nfs/dbraw/zinc/52/47/95/426524795.db2.gz UOSSYBLVFJTFJW-TZMCWYRMSA-N 2 1 324.266 2.760 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(Br)n3)CC[C@H]21 ZINC000272444607 426525111 /nfs/dbraw/zinc/52/51/11/426525111.db2.gz UOSSYBLVFJTFJW-GXTWGEPZSA-N 2 1 324.266 2.760 20 0 DFADMP C[C@H](NCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272457481 426529630 /nfs/dbraw/zinc/52/96/30/426529630.db2.gz KARUTJLZOPQVBJ-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]([NH2+]CCN1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272457481 426529637 /nfs/dbraw/zinc/52/96/37/426529637.db2.gz KARUTJLZOPQVBJ-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H](NCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272457486 426530139 /nfs/dbraw/zinc/53/01/39/426530139.db2.gz KARUTJLZOPQVBJ-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]([NH2+]CCN1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272457486 426530152 /nfs/dbraw/zinc/53/01/52/426530152.db2.gz KARUTJLZOPQVBJ-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)[C@H](C[NH+]1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000280303877 426546029 /nfs/dbraw/zinc/54/60/29/426546029.db2.gz PTCXTCYGXMUXLI-IBGZPJMESA-N 2 1 304.478 2.815 20 0 DFADMP COCC[N@@H+](C)CCCN[C@H](C)c1ccc2ccccc2n1 ZINC000177988407 426552721 /nfs/dbraw/zinc/55/27/21/426552721.db2.gz IFFVJNSQMKSVMS-OAHLLOKOSA-N 2 1 301.434 2.854 20 0 DFADMP COCCN(C)CCC[NH2+][C@H](C)c1ccc2ccccc2n1 ZINC000177988407 426552724 /nfs/dbraw/zinc/55/27/24/426552724.db2.gz IFFVJNSQMKSVMS-OAHLLOKOSA-N 2 1 301.434 2.854 20 0 DFADMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000186171316 426490910 /nfs/dbraw/zinc/49/09/10/426490910.db2.gz CNFJOZYLWCJZST-KGLIPLIRSA-N 2 1 324.490 2.908 20 0 DFADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272364368 426506056 /nfs/dbraw/zinc/50/60/56/426506056.db2.gz SPBSZPJDGWXSGD-MNEFBYGVSA-N 2 1 302.462 2.912 20 0 DFADMP Fc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1-n1ccnc1 ZINC000264529522 426567822 /nfs/dbraw/zinc/56/78/22/426567822.db2.gz HGDKAGVHFLMNAR-UHFFFAOYSA-N 2 1 314.408 2.728 20 0 DFADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000273120706 426595926 /nfs/dbraw/zinc/59/59/26/426595926.db2.gz ZHLOSVDMEGDLCU-NZSAHSFTSA-N 2 1 310.445 2.718 20 0 DFADMP COC(=O)c1oc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1C ZINC000178304685 426601126 /nfs/dbraw/zinc/60/11/26/426601126.db2.gz NYPHDQGHDDEKPG-AWEZNQCLSA-N 2 1 317.389 2.544 20 0 DFADMP COC(=O)c1oc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1C ZINC000178304685 426601131 /nfs/dbraw/zinc/60/11/31/426601131.db2.gz NYPHDQGHDDEKPG-AWEZNQCLSA-N 2 1 317.389 2.544 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1 ZINC000272560685 426558187 /nfs/dbraw/zinc/55/81/87/426558187.db2.gz NRAGFUQEPSASNH-HZPDHXFCSA-N 2 1 317.477 2.741 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272574356 426563007 /nfs/dbraw/zinc/56/30/07/426563007.db2.gz PNAPAPPLOAJKHT-WJFTUGDTSA-N 2 1 302.462 2.504 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cccc2cccnc21)CC[NH+](C)C ZINC000289370341 426637676 /nfs/dbraw/zinc/63/76/76/426637676.db2.gz IERMPNUIWASACB-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]21 ZINC000230047478 426640837 /nfs/dbraw/zinc/64/08/37/426640837.db2.gz PWGCWPHWBIVESN-BYCMXARLSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]21 ZINC000230047478 426640846 /nfs/dbraw/zinc/64/08/46/426640846.db2.gz PWGCWPHWBIVESN-BYCMXARLSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]21 ZINC000230047488 426642231 /nfs/dbraw/zinc/64/22/31/426642231.db2.gz PWGCWPHWBIVESN-TUKIKUTGSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@@H]21 ZINC000230047488 426642232 /nfs/dbraw/zinc/64/22/32/426642232.db2.gz PWGCWPHWBIVESN-TUKIKUTGSA-N 2 1 304.825 2.547 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)CCc2nc3ccccc3n2C)CC1 ZINC000265526503 426649410 /nfs/dbraw/zinc/64/94/10/426649410.db2.gz SXEQPUXCNHBARH-UHFFFAOYSA-N 2 1 314.477 2.922 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCc2nc3ccccc3n2C)CC1 ZINC000265526503 426649415 /nfs/dbraw/zinc/64/94/15/426649415.db2.gz SXEQPUXCNHBARH-UHFFFAOYSA-N 2 1 314.477 2.922 20 0 DFADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000236972158 426687046 /nfs/dbraw/zinc/68/70/46/426687046.db2.gz YTNNSRQBRUIESK-HNNXBMFYSA-N 2 1 303.450 2.725 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000289472218 426666418 /nfs/dbraw/zinc/66/64/18/426666418.db2.gz HLJNLOABZMNGCF-MSOLQXFVSA-N 2 1 304.478 2.788 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000289472218 426666421 /nfs/dbraw/zinc/66/64/21/426666421.db2.gz HLJNLOABZMNGCF-MSOLQXFVSA-N 2 1 304.478 2.788 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@]1(C)CCCC[NH2+]1 ZINC000236656486 426670542 /nfs/dbraw/zinc/67/05/42/426670542.db2.gz SFNMAILSCRFBLP-IBGZPJMESA-N 2 1 317.477 2.675 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280862902 426672496 /nfs/dbraw/zinc/67/24/96/426672496.db2.gz NITXJDZBOBKAID-RBUKOAKNSA-N 2 1 317.477 2.749 20 0 DFADMP CC(C)([NH3+])CC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000178674616 426672746 /nfs/dbraw/zinc/67/27/46/426672746.db2.gz MCMZRUITAXNAEI-UHFFFAOYSA-N 2 1 323.868 2.502 20 0 DFADMP CC(C)([NH3+])CC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000178674616 426672750 /nfs/dbraw/zinc/67/27/50/426672750.db2.gz MCMZRUITAXNAEI-UHFFFAOYSA-N 2 1 323.868 2.502 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC(C)(C)[NH3+])cc2)C1 ZINC000178690635 426677678 /nfs/dbraw/zinc/67/76/78/426677678.db2.gz WZSPPQNYUHZDLO-HNNXBMFYSA-N 2 1 317.477 2.662 20 0 DFADMP CCCN(C(=O)CCC[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236755683 426685503 /nfs/dbraw/zinc/68/55/03/426685503.db2.gz JQOHURIYJSZMCQ-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCOC3)CC2)cc1 ZINC000178426953 426626453 /nfs/dbraw/zinc/62/64/53/426626453.db2.gz XOBUGFHVNZGFRU-KRWDZBQOSA-N 2 1 320.452 2.849 20 0 DFADMP C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290084001 426689566 /nfs/dbraw/zinc/68/95/66/426689566.db2.gz VHEXCXZCJHXCHM-HNAYVOBHSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290084001 426689571 /nfs/dbraw/zinc/68/95/71/426689571.db2.gz VHEXCXZCJHXCHM-HNAYVOBHSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H](C1CC1)[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290084001 426689574 /nfs/dbraw/zinc/68/95/74/426689574.db2.gz VHEXCXZCJHXCHM-HNAYVOBHSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H](C1CC1)[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290084001 426689576 /nfs/dbraw/zinc/68/95/76/426689576.db2.gz VHEXCXZCJHXCHM-HNAYVOBHSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000187998146 426714209 /nfs/dbraw/zinc/71/42/09/426714209.db2.gz ZQFOZLNKWLNPTI-GOEBONIOSA-N 2 1 321.896 2.770 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000290444154 426767319 /nfs/dbraw/zinc/76/73/19/426767319.db2.gz VRAKIBNEROBLGI-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290444154 426767323 /nfs/dbraw/zinc/76/73/23/426767323.db2.gz VRAKIBNEROBLGI-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000290444154 426767326 /nfs/dbraw/zinc/76/73/26/426767326.db2.gz VRAKIBNEROBLGI-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290444154 426767331 /nfs/dbraw/zinc/76/73/31/426767331.db2.gz VRAKIBNEROBLGI-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000290444154 426767335 /nfs/dbraw/zinc/76/73/35/426767335.db2.gz VRAKIBNEROBLGI-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245735930 426767622 /nfs/dbraw/zinc/76/76/22/426767622.db2.gz QUJGJYCYXJYEOA-RDGPPVDQSA-N 2 1 302.462 2.789 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000188629268 426770039 /nfs/dbraw/zinc/77/00/39/426770039.db2.gz CUHUBMIIIGKSTI-QPSCCSFWSA-N 2 1 322.415 2.790 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245796709 426772483 /nfs/dbraw/zinc/77/24/83/426772483.db2.gz XBWVTBGBQMJKTP-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245796709 426772487 /nfs/dbraw/zinc/77/24/87/426772487.db2.gz XBWVTBGBQMJKTP-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245796709 426772494 /nfs/dbraw/zinc/77/24/94/426772494.db2.gz XBWVTBGBQMJKTP-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000179267843 426774900 /nfs/dbraw/zinc/77/49/00/426774900.db2.gz CXWBHEXPCJCRIH-UHFFFAOYSA-N 2 1 319.478 2.641 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2nccs2)CC1 ZINC000179267843 426774903 /nfs/dbraw/zinc/77/49/03/426774903.db2.gz CXWBHEXPCJCRIH-UHFFFAOYSA-N 2 1 319.478 2.641 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290494687 426776586 /nfs/dbraw/zinc/77/65/86/426776586.db2.gz OTGDUJUTXDXNAM-APWZRJJASA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290494687 426776590 /nfs/dbraw/zinc/77/65/90/426776590.db2.gz OTGDUJUTXDXNAM-APWZRJJASA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290494687 426776594 /nfs/dbraw/zinc/77/65/94/426776594.db2.gz OTGDUJUTXDXNAM-APWZRJJASA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290494687 426776598 /nfs/dbraw/zinc/77/65/98/426776598.db2.gz OTGDUJUTXDXNAM-APWZRJJASA-N 2 1 320.477 2.622 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)C2CC2)C1 ZINC000245902853 426780217 /nfs/dbraw/zinc/78/02/17/426780217.db2.gz SNLWFDNAXCSGLF-WBVHZDCISA-N 2 1 304.482 2.973 20 0 DFADMP C[C@@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245945986 426784019 /nfs/dbraw/zinc/78/40/19/426784019.db2.gz WQOLYSDJUSMTCE-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP Cc1[nH+]ccn1CCN1CCO[C@@H](c2cccc(Cl)c2)C1 ZINC000274523426 426787751 /nfs/dbraw/zinc/78/77/51/426787751.db2.gz ZLUYXNHHZROVBY-MRXNPFEDSA-N 2 1 305.809 2.918 20 0 DFADMP CC1(C)C[N@@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178980414 426729527 /nfs/dbraw/zinc/72/95/27/426729527.db2.gz PWZUDGSWXLIOKC-UHFFFAOYSA-N 2 1 301.478 2.582 20 0 DFADMP Clc1ccc(CN2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000178978370 426730415 /nfs/dbraw/zinc/73/04/15/426730415.db2.gz SBHULJNQSUPCLR-UHFFFAOYSA-N 2 1 321.896 2.847 20 0 DFADMP Cn1cc(C[N@@H+](C)CCCn2ccnc2)c(-c2ccccc2)n1 ZINC000290288728 426733067 /nfs/dbraw/zinc/73/30/67/426733067.db2.gz ACNLDCXHRCOCAB-UHFFFAOYSA-N 2 1 309.417 2.806 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290363447 426749087 /nfs/dbraw/zinc/74/90/87/426749087.db2.gz GYQPBJLKAFRLQI-IBGZPJMESA-N 3 1 301.478 2.986 20 0 DFADMP C[C@H]1CC[N@@H+](CCOc2ccc(NCc3cncn3C)cc2)C1 ZINC000266627476 426753695 /nfs/dbraw/zinc/75/36/95/426753695.db2.gz OFAZZQRPFTWSKT-HNNXBMFYSA-N 2 1 314.433 2.753 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000290444159 426766079 /nfs/dbraw/zinc/76/60/79/426766079.db2.gz VRAKIBNEROBLGI-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000290444159 426766081 /nfs/dbraw/zinc/76/60/81/426766081.db2.gz VRAKIBNEROBLGI-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000290444159 426766085 /nfs/dbraw/zinc/76/60/85/426766085.db2.gz VRAKIBNEROBLGI-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000290444159 426766087 /nfs/dbraw/zinc/76/60/87/426766087.db2.gz VRAKIBNEROBLGI-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000290444159 426766091 /nfs/dbraw/zinc/76/60/91/426766091.db2.gz VRAKIBNEROBLGI-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccn1 ZINC000290444341 426766322 /nfs/dbraw/zinc/76/63/22/426766322.db2.gz VRTFYXTXYVPCJH-OAHLLOKOSA-N 2 1 314.433 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000179523665 426798219 /nfs/dbraw/zinc/79/82/19/426798219.db2.gz AMBRRVRRIJRYSO-KBEZCGTCSA-N 2 1 323.431 2.782 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000179523665 426798224 /nfs/dbraw/zinc/79/82/24/426798224.db2.gz AMBRRVRRIJRYSO-KBEZCGTCSA-N 2 1 323.431 2.782 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000290589018 426799731 /nfs/dbraw/zinc/79/97/31/426799731.db2.gz VDIMJXDEZYOAHR-CZUORRHYSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000246209623 426810972 /nfs/dbraw/zinc/81/09/72/426810972.db2.gz FRQJXOIYSGICGX-OOKSDGMUSA-N 2 1 321.509 2.535 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000290658102 426813841 /nfs/dbraw/zinc/81/38/41/426813841.db2.gz ZLWRQWXAJOGLHL-KRWDZBQOSA-N 2 1 316.445 2.622 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000274679661 426816763 /nfs/dbraw/zinc/81/67/63/426816763.db2.gz ZWTNJIYPFSFPEV-LLHCEFMISA-N 2 1 302.462 2.956 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000274679661 426816766 /nfs/dbraw/zinc/81/67/66/426816766.db2.gz ZWTNJIYPFSFPEV-LLHCEFMISA-N 2 1 302.462 2.956 20 0 DFADMP CCC[C@H](C)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000180073494 426833926 /nfs/dbraw/zinc/83/39/26/426833926.db2.gz YKGLLWCKQILYDM-KRWDZBQOSA-N 2 1 323.525 2.689 20 0 DFADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc2cnccn12 ZINC000274775725 426836213 /nfs/dbraw/zinc/83/62/13/426836213.db2.gz JMIKGRXIJNAAFM-UHFFFAOYSA-N 2 1 315.465 2.864 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000274790021 426837186 /nfs/dbraw/zinc/83/71/86/426837186.db2.gz NRMGJRXSAGHVKP-BLLLJJGKSA-N 2 1 314.832 2.786 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000274790021 426837191 /nfs/dbraw/zinc/83/71/91/426837191.db2.gz NRMGJRXSAGHVKP-BLLLJJGKSA-N 2 1 314.832 2.786 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000274790021 426837193 /nfs/dbraw/zinc/83/71/93/426837193.db2.gz NRMGJRXSAGHVKP-BLLLJJGKSA-N 2 1 314.832 2.786 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000274790021 426837199 /nfs/dbraw/zinc/83/71/99/426837199.db2.gz NRMGJRXSAGHVKP-BLLLJJGKSA-N 2 1 314.832 2.786 20 0 DFADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180159061 426840487 /nfs/dbraw/zinc/84/04/87/426840487.db2.gz BRGYAFVFNIOCQH-ZGXWSNOMSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000246542540 426843086 /nfs/dbraw/zinc/84/30/86/426843086.db2.gz SMPOSSKKDUSWPX-RDJZCZTQSA-N 2 1 315.461 2.999 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000246567536 426845439 /nfs/dbraw/zinc/84/54/39/426845439.db2.gz USUFEUTZHIQDNX-MAUKXSAKSA-N 2 1 315.461 2.999 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCCO1 ZINC000274836980 426846799 /nfs/dbraw/zinc/84/67/99/426846799.db2.gz NNOPFTOAAJCQEX-AEFFLSMTSA-N 2 1 318.461 2.640 20 0 DFADMP Cc1cc([C@@H](C)NCCC[N@H+]2CCc3ccccc3C2)nn1C ZINC000282210288 426854538 /nfs/dbraw/zinc/85/45/38/426854538.db2.gz OKGMTBZGNXAEHV-MRXNPFEDSA-N 2 1 312.461 2.828 20 0 DFADMP O[C@H](C[NH+]1CCC[C@@H]2CCC[C@H]21)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016548 426790739 /nfs/dbraw/zinc/79/07/39/426790739.db2.gz UKVPWJUNWRTQRK-VPAKFMSCSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000246016548 426790745 /nfs/dbraw/zinc/79/07/45/426790745.db2.gz UKVPWJUNWRTQRK-VPAKFMSCSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@@H]2CCC[C@@H]21)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000246016548 426790750 /nfs/dbraw/zinc/79/07/50/426790750.db2.gz UKVPWJUNWRTQRK-VPAKFMSCSA-N 2 1 306.494 2.876 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309639295 426915501 /nfs/dbraw/zinc/91/55/01/426915501.db2.gz BBTSYJRKCFKUAA-FHWLQOOXSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309639295 426915503 /nfs/dbraw/zinc/91/55/03/426915503.db2.gz BBTSYJRKCFKUAA-FHWLQOOXSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309639295 426915508 /nfs/dbraw/zinc/91/55/08/426915508.db2.gz BBTSYJRKCFKUAA-FHWLQOOXSA-N 3 1 301.478 2.616 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+]([C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275785442 426917021 /nfs/dbraw/zinc/91/70/21/426917021.db2.gz YCJHPMHHBWABET-PMACEKPBSA-N 2 1 316.489 2.885 20 0 DFADMP C[C@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000275786283 426917407 /nfs/dbraw/zinc/91/74/07/426917407.db2.gz IMRSDZMNPPACIW-OWCLPIDISA-N 2 1 317.477 2.991 20 0 DFADMP CC(C)([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309882469 426918311 /nfs/dbraw/zinc/91/83/11/426918311.db2.gz JZSFOVJEPKTXJU-QGZVFWFLSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282237964 426859867 /nfs/dbraw/zinc/85/98/67/426859867.db2.gz IYBCASZMQNVFGD-IRXDYDNUSA-N 2 1 303.494 2.794 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282286895 426872166 /nfs/dbraw/zinc/87/21/66/426872166.db2.gz LJOTYLUDPCROFQ-CYBMUJFWSA-N 2 1 311.420 2.641 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275570362 426872677 /nfs/dbraw/zinc/87/26/77/426872677.db2.gz CLDCAFMTWYRPRH-HNNXBMFYSA-N 2 1 320.481 2.643 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)O[C@@H](C)C2 ZINC000246920192 426880225 /nfs/dbraw/zinc/88/02/25/426880225.db2.gz GROABNQIGXYUOE-XJIUQZFPSA-N 2 1 318.461 2.837 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)O[C@@H](C)C2 ZINC000246920192 426880229 /nfs/dbraw/zinc/88/02/29/426880229.db2.gz GROABNQIGXYUOE-XJIUQZFPSA-N 2 1 318.461 2.837 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@@H]2C)[C@@H](C)C1 ZINC000246992888 426889282 /nfs/dbraw/zinc/88/92/82/426889282.db2.gz KWGNQSMKHMVUNA-BQFCYCMXSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H](O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000180860574 426893273 /nfs/dbraw/zinc/89/32/73/426893273.db2.gz SNDOTZHFKIXGND-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H](O)[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000180860574 426893279 /nfs/dbraw/zinc/89/32/79/426893279.db2.gz SNDOTZHFKIXGND-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H](O)[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000180860574 426893285 /nfs/dbraw/zinc/89/32/85/426893285.db2.gz SNDOTZHFKIXGND-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP c1cnn(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000291509651 426900160 /nfs/dbraw/zinc/90/01/60/426900160.db2.gz XBEIHCRHPIEKMP-UHFFFAOYSA-N 2 1 324.472 2.871 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000268064484 426903009 /nfs/dbraw/zinc/90/30/09/426903009.db2.gz AIHUFMDCIUNHBX-OAHLLOKOSA-N 2 1 321.490 2.510 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC000275718870 426905545 /nfs/dbraw/zinc/90/55/45/426905545.db2.gz YVNNYOQXVRYTFY-INIZCTEOSA-N 2 1 310.445 2.704 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]C1CCN(c3ccccc3)CC1)C2 ZINC000275718880 426906068 /nfs/dbraw/zinc/90/60/68/426906068.db2.gz YVNNYOQXVRYTFY-MRXNPFEDSA-N 2 1 310.445 2.704 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1 ZINC000295316653 426906118 /nfs/dbraw/zinc/90/61/18/426906118.db2.gz WLKPNIAHBPQKHK-HNNXBMFYSA-N 2 1 305.466 2.776 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247556507 426950103 /nfs/dbraw/zinc/95/01/03/426950103.db2.gz QJONVRXCSIBDTB-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247556507 426950109 /nfs/dbraw/zinc/95/01/09/426950109.db2.gz QJONVRXCSIBDTB-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247556507 426950113 /nfs/dbraw/zinc/95/01/13/426950113.db2.gz QJONVRXCSIBDTB-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247556507 426950120 /nfs/dbraw/zinc/95/01/20/426950120.db2.gz QJONVRXCSIBDTB-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000317481979 426959521 /nfs/dbraw/zinc/95/95/21/426959521.db2.gz ZAZZMRGMTWZTPB-DZKIICNBSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000317481979 426959529 /nfs/dbraw/zinc/95/95/29/426959529.db2.gz ZAZZMRGMTWZTPB-DZKIICNBSA-N 2 1 304.434 2.981 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291707657 426959692 /nfs/dbraw/zinc/95/96/92/426959692.db2.gz KYWRBYUJPMBTNT-AWEZNQCLSA-N 2 1 300.450 2.776 20 0 DFADMP Cc1ccc(OC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)nc1 ZINC000181552224 426960291 /nfs/dbraw/zinc/96/02/91/426960291.db2.gz ZWICFEHSTVEAMQ-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ccc(OC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000181552224 426960296 /nfs/dbraw/zinc/96/02/96/426960296.db2.gz ZWICFEHSTVEAMQ-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](c2ccco2)[NH+]2CCCCC2)CC[N@H+]1C ZINC000247971783 426972296 /nfs/dbraw/zinc/97/22/96/426972296.db2.gz JLVJKFPHXHJOFG-BRWVUGGUSA-N 2 1 305.466 2.879 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](c2ccco2)N2CCCCC2)CC[N@@H+]1C ZINC000247971783 426972303 /nfs/dbraw/zinc/97/23/03/426972303.db2.gz JLVJKFPHXHJOFG-BRWVUGGUSA-N 2 1 305.466 2.879 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[N@@H+]1C ZINC000337839154 426994627 /nfs/dbraw/zinc/99/46/27/426994627.db2.gz YPRBVLPAGIHNOQ-JSGCOSHPSA-N 2 1 304.463 2.721 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[N@H+]1C ZINC000337839154 426994632 /nfs/dbraw/zinc/99/46/32/426994632.db2.gz YPRBVLPAGIHNOQ-JSGCOSHPSA-N 2 1 304.463 2.721 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1Br ZINC000291782616 426987236 /nfs/dbraw/zinc/98/72/36/426987236.db2.gz UZQMZLBJTAHSFJ-LLVKDONJSA-N 2 1 315.255 2.745 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cc(Cl)cc3c1OCC3)C2 ZINC000314475248 426929279 /nfs/dbraw/zinc/92/92/79/426929279.db2.gz ZWEJFLOEQSHACV-YOEHRIQHSA-N 2 1 306.837 2.836 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cc(Cl)cc3c1OCC3)C2 ZINC000314475248 426929285 /nfs/dbraw/zinc/92/92/85/426929285.db2.gz ZWEJFLOEQSHACV-YOEHRIQHSA-N 2 1 306.837 2.836 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000314699366 426932199 /nfs/dbraw/zinc/93/21/99/426932199.db2.gz JMZMEVPETMNKAC-WMLDXEAASA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000314699366 426932203 /nfs/dbraw/zinc/93/22/03/426932203.db2.gz JMZMEVPETMNKAC-WMLDXEAASA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1OC ZINC000314652320 426932475 /nfs/dbraw/zinc/93/24/75/426932475.db2.gz DEZSUOOWSKEPPA-GOEBONIOSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1OC ZINC000314652320 426932480 /nfs/dbraw/zinc/93/24/80/426932480.db2.gz DEZSUOOWSKEPPA-GOEBONIOSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000248420088 426999537 /nfs/dbraw/zinc/99/95/37/426999537.db2.gz LMOSDEHIBGPUCS-MHORFTMASA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000248420088 426999544 /nfs/dbraw/zinc/99/95/44/426999544.db2.gz LMOSDEHIBGPUCS-MHORFTMASA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@@H]1C ZINC000248420088 426999548 /nfs/dbraw/zinc/99/95/48/426999548.db2.gz LMOSDEHIBGPUCS-MHORFTMASA-N 2 1 308.510 2.959 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248592994 427019443 /nfs/dbraw/zinc/01/94/43/427019443.db2.gz RULDFLQLFMDPOL-HQRMLTQVSA-N 2 1 316.489 2.833 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(OC(C)C)C2)[C@@H](C)C1 ZINC000248638964 427024295 /nfs/dbraw/zinc/02/42/95/427024295.db2.gz MPGJFCQUEKITHQ-BFWZDYSYSA-N 2 1 312.498 2.669 20 0 DFADMP CCn1nccc1CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000276295220 427030980 /nfs/dbraw/zinc/03/09/80/427030980.db2.gz ISMNTNSVOOBROA-INIZCTEOSA-N 2 1 313.449 2.583 20 0 DFADMP CCn1nccc1CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000276295220 427030986 /nfs/dbraw/zinc/03/09/86/427030986.db2.gz ISMNTNSVOOBROA-INIZCTEOSA-N 2 1 313.449 2.583 20 0 DFADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cnn1C(C)C ZINC000248716573 427033642 /nfs/dbraw/zinc/03/36/42/427033642.db2.gz ROIPKKOGENQMRK-RDJZCZTQSA-N 2 1 322.497 2.660 20 0 DFADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cnn1C(C)C ZINC000248716578 427034874 /nfs/dbraw/zinc/03/48/74/427034874.db2.gz ROIPKKOGENQMRK-WBVHZDCISA-N 2 1 322.497 2.660 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1(C)CC1 ZINC000182239211 427035110 /nfs/dbraw/zinc/03/51/10/427035110.db2.gz TUMPCOGKVYRKCF-MAUKXSAKSA-N 2 1 302.462 2.922 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000291963622 427041560 /nfs/dbraw/zinc/04/15/60/427041560.db2.gz GYCBFNCXWAPZJY-CYBMUJFWSA-N 2 1 311.495 2.660 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)C1 ZINC000182269650 427044582 /nfs/dbraw/zinc/04/45/82/427044582.db2.gz FOVDXDFSMGYFQB-GOSISDBHSA-N 2 1 300.446 2.531 20 0 DFADMP Cc1ncsc1C[N@@H+]1CC[C@H](Oc2cccnc2N(C)C)C1 ZINC000296013882 427045590 /nfs/dbraw/zinc/04/55/90/427045590.db2.gz QRTYCJHRGOAJKG-ZDUSSCGKSA-N 2 1 318.446 2.566 20 0 DFADMP Cc1cncc(CN2CC[C@H](Oc3cccnc3N(C)C)C2)c1 ZINC000296012069 427046828 /nfs/dbraw/zinc/04/68/28/427046828.db2.gz QNFIFBTYBGSWSE-INIZCTEOSA-N 2 1 312.417 2.504 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337989181 427076929 /nfs/dbraw/zinc/07/69/29/427076929.db2.gz LGQCLGGZLPKILB-QZTJIDSGSA-N 2 1 313.505 2.912 20 0 DFADMP C[C@H](CNC(=O)C[C@H]1CCCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000296108958 427078204 /nfs/dbraw/zinc/07/82/04/427078204.db2.gz SGCAPMGFBOHWGA-KBAYOESNSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000283906186 427095780 /nfs/dbraw/zinc/09/57/80/427095780.db2.gz JPARRJJJKHBHDW-YTQUADARSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000283906186 427095787 /nfs/dbraw/zinc/09/57/87/427095787.db2.gz JPARRJJJKHBHDW-YTQUADARSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000283906186 427095792 /nfs/dbraw/zinc/09/57/92/427095792.db2.gz JPARRJJJKHBHDW-YTQUADARSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000283906186 427095797 /nfs/dbraw/zinc/09/57/97/427095797.db2.gz JPARRJJJKHBHDW-YTQUADARSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000283906186 427095802 /nfs/dbraw/zinc/09/58/02/427095802.db2.gz JPARRJJJKHBHDW-YTQUADARSA-N 2 1 304.478 2.988 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CCCCCF)CC1)Cc1ccccc1 ZINC000283901872 427096006 /nfs/dbraw/zinc/09/60/06/427096006.db2.gz BMSCGSPKNUDMEQ-UHFFFAOYSA-N 2 1 321.484 2.876 20 0 DFADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000249206362 427096760 /nfs/dbraw/zinc/09/67/60/427096760.db2.gz VYUOEOFGDPPIPU-SJLPKXTDSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283987017 427110686 /nfs/dbraw/zinc/11/06/86/427110686.db2.gz PLQJXBUNKNUECH-AWEZNQCLSA-N 2 1 314.433 2.575 20 0 DFADMP C[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338058192 427119625 /nfs/dbraw/zinc/11/96/25/427119625.db2.gz KNCKQBKCTDNSCX-OWCLPIDISA-N 2 1 309.498 2.628 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268799110 427123277 /nfs/dbraw/zinc/12/32/77/427123277.db2.gz XQUJMBWKTSCAKO-IPELMVKDSA-N 2 1 318.461 2.989 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268799110 427123284 /nfs/dbraw/zinc/12/32/84/427123284.db2.gz XQUJMBWKTSCAKO-IPELMVKDSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268819001 427128202 /nfs/dbraw/zinc/12/82/02/427128202.db2.gz WTDSZOWYKLUMQA-VQIMIIECSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268819001 427128207 /nfs/dbraw/zinc/12/82/07/427128207.db2.gz WTDSZOWYKLUMQA-VQIMIIECSA-N 2 1 312.461 2.605 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]CCCn1cc[nH+]c1C ZINC000268830705 427131631 /nfs/dbraw/zinc/13/16/31/427131631.db2.gz FBNWKVMEBLJVPX-GOSISDBHSA-N 2 1 319.424 2.958 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268829568 427131794 /nfs/dbraw/zinc/13/17/94/427131794.db2.gz QNJFUXYXJIJUEK-ZHALLVOQSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268829568 427131800 /nfs/dbraw/zinc/13/18/00/427131800.db2.gz QNJFUXYXJIJUEK-ZHALLVOQSA-N 2 1 312.461 2.914 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000268831090 427135441 /nfs/dbraw/zinc/13/54/41/427135441.db2.gz OITKTTPIOQONDM-LJQANCHMSA-N 2 1 316.445 2.983 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)[C@@H](C)C1 ZINC000249711714 427138610 /nfs/dbraw/zinc/13/86/10/427138610.db2.gz YORGDJFQHGSRJE-ZULIPRJHSA-N 2 1 318.505 2.936 20 0 DFADMP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268978015 427141060 /nfs/dbraw/zinc/14/10/60/427141060.db2.gz CJFYVTXHKKCCOL-CGTJXYLNSA-N 2 1 322.518 2.743 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@H]2C)cc1F ZINC000296311071 427145604 /nfs/dbraw/zinc/14/56/04/427145604.db2.gz GPQXAJIAAIDXPN-BFQNTYOBSA-N 2 1 303.381 2.975 20 0 DFADMP C[C@H]1CC[C@H](C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)O1 ZINC000190648645 427154490 /nfs/dbraw/zinc/15/44/90/427154490.db2.gz VHZDSQLIXNTJQK-QFBILLFUSA-N 2 1 317.477 2.588 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000338172499 427167939 /nfs/dbraw/zinc/16/79/39/427167939.db2.gz IEXGTNWJEQTSQC-JKSUJKDBSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000338172498 427168775 /nfs/dbraw/zinc/16/87/75/427168775.db2.gz IEXGTNWJEQTSQC-HZPDHXFCSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000338172496 427169224 /nfs/dbraw/zinc/16/92/24/427169224.db2.gz IEXGTNWJEQTSQC-CVEARBPZSA-N 2 1 317.477 2.693 20 0 DFADMP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237995899 271255084 /nfs/dbraw/zinc/25/50/84/271255084.db2.gz HGZQSMBOCHAYPB-GOSISDBHSA-N 2 1 317.477 2.676 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000270574141 271313031 /nfs/dbraw/zinc/31/30/31/271313031.db2.gz BMASHSPNYFCIEZ-HNNXBMFYSA-N 2 1 317.437 2.968 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2noc(C(C)C)n2)C1 ZINC000270574141 271313034 /nfs/dbraw/zinc/31/30/34/271313034.db2.gz BMASHSPNYFCIEZ-HNNXBMFYSA-N 2 1 317.437 2.968 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329764891 427170377 /nfs/dbraw/zinc/17/03/77/427170377.db2.gz WIFIWPSTDVCNCA-GDBMZVCRSA-N 2 1 318.465 2.769 20 0 DFADMP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000304085458 271367748 /nfs/dbraw/zinc/36/77/48/271367748.db2.gz ZSRUPJPTVFNOTA-INIZCTEOSA-N 2 1 302.466 2.763 20 0 DFADMP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000304085458 271367750 /nfs/dbraw/zinc/36/77/50/271367750.db2.gz ZSRUPJPTVFNOTA-INIZCTEOSA-N 2 1 302.466 2.763 20 0 DFADMP C[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000285388704 427218185 /nfs/dbraw/zinc/21/81/85/427218185.db2.gz DJWABRPOYWMPAQ-FUHWJXTLSA-N 2 1 302.462 2.913 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000284287170 427175217 /nfs/dbraw/zinc/17/52/17/427175217.db2.gz HXMMEVHNVMCZBA-AOIWGVFYSA-N 2 1 318.461 2.989 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000284287170 427175223 /nfs/dbraw/zinc/17/52/23/427175223.db2.gz HXMMEVHNVMCZBA-AOIWGVFYSA-N 2 1 318.461 2.989 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](Cn2cccn2)C(C)C)cn1 ZINC000284303282 427178015 /nfs/dbraw/zinc/17/80/15/427178015.db2.gz YTBZOHJAOXLFTM-KRWDZBQOSA-N 2 1 324.432 2.587 20 0 DFADMP CS[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000296448459 427181483 /nfs/dbraw/zinc/18/14/83/427181483.db2.gz WJYMNHNUJSDCAN-GOSISDBHSA-N 2 1 319.518 2.636 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000338196212 427186407 /nfs/dbraw/zinc/18/64/07/427186407.db2.gz NIBNKRDOLYRWHK-FUHWJXTLSA-N 2 1 312.461 2.810 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292894207 427204125 /nfs/dbraw/zinc/20/41/25/427204125.db2.gz ZABPZQFLLREPNW-ROUUACIJSA-N 2 1 302.462 2.964 20 0 DFADMP c1cn(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183125692 427205883 /nfs/dbraw/zinc/20/58/83/427205883.db2.gz YDMPTQOCRNZBNN-ZCNNSNEGSA-N 2 1 324.472 2.773 20 0 DFADMP CCCCNC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183139084 427208359 /nfs/dbraw/zinc/20/83/59/427208359.db2.gz GKHWTIKWTVIRGH-AWEZNQCLSA-N 2 1 314.433 2.748 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnn(CC(F)F)c2)c1 ZINC000293110025 427212588 /nfs/dbraw/zinc/21/25/88/427212588.db2.gz XFMZNXLKWIPVOI-UHFFFAOYSA-N 2 1 322.403 2.890 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)COC(C)C)cc1 ZINC000183157132 427214301 /nfs/dbraw/zinc/21/43/01/427214301.db2.gz HJMMLXNYFYBMBM-KDOFPFPSSA-N 2 1 317.433 2.617 20 0 DFADMP CN(CC[N@@H+](C)C[C@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000338279772 427232589 /nfs/dbraw/zinc/23/25/89/427232589.db2.gz ARKWYEOBOMNCBW-HNNXBMFYSA-N 2 1 317.468 2.770 20 0 DFADMP C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338284868 427233815 /nfs/dbraw/zinc/23/38/15/427233815.db2.gz KIQHRXUOTCYKOB-QRQLOZEOSA-N 2 1 322.493 2.868 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338284868 427233827 /nfs/dbraw/zinc/23/38/27/427233827.db2.gz KIQHRXUOTCYKOB-QRQLOZEOSA-N 2 1 322.493 2.868 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338284868 427233834 /nfs/dbraw/zinc/23/38/34/427233834.db2.gz KIQHRXUOTCYKOB-QRQLOZEOSA-N 2 1 322.493 2.868 20 0 DFADMP CC(C)CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)C(C)(C)C ZINC000338298317 427245925 /nfs/dbraw/zinc/24/59/25/427245925.db2.gz BOVDDUKLBCWVKG-MRXNPFEDSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@H](c1ccncc1)[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000269683504 427248788 /nfs/dbraw/zinc/24/87/88/427248788.db2.gz IRQFCHYSXKSUSV-CYBMUJFWSA-N 2 1 322.416 2.990 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCO[C@@H]2CCCCO2)C1 ZINC000338318746 427255832 /nfs/dbraw/zinc/25/58/32/427255832.db2.gz RIDGJHWSNVNZTE-QZTJIDSGSA-N 2 1 310.482 2.583 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338318746 427255838 /nfs/dbraw/zinc/25/58/38/427255838.db2.gz RIDGJHWSNVNZTE-QZTJIDSGSA-N 2 1 310.482 2.583 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338318746 427255845 /nfs/dbraw/zinc/25/58/45/427255845.db2.gz RIDGJHWSNVNZTE-QZTJIDSGSA-N 2 1 310.482 2.583 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000277607381 427256639 /nfs/dbraw/zinc/25/66/39/427256639.db2.gz AMQJFOZIUZFCSH-INIZCTEOSA-N 2 1 306.450 2.676 20 0 DFADMP CSC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338322042 427258843 /nfs/dbraw/zinc/25/88/43/427258843.db2.gz SCUODQZHJSJOPX-IAGOWNOFSA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338322042 427258852 /nfs/dbraw/zinc/25/88/52/427258852.db2.gz SCUODQZHJSJOPX-IAGOWNOFSA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338322045 427259767 /nfs/dbraw/zinc/25/97/67/427259767.db2.gz SCUODQZHJSJOPX-SJORKVTESA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338322045 427259769 /nfs/dbraw/zinc/25/97/69/427259769.db2.gz SCUODQZHJSJOPX-SJORKVTESA-N 2 1 322.518 2.601 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)N(C)c2ccccc2)CC1 ZINC000269728431 427264593 /nfs/dbraw/zinc/26/45/93/427264593.db2.gz WZSPIPZUUWWFFJ-UHFFFAOYSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](Cc1nc(C)no1)c1ccccc1 ZINC000338355341 427271343 /nfs/dbraw/zinc/27/13/43/427271343.db2.gz JATXPNRYKSWWAU-KRWDZBQOSA-N 2 1 316.449 2.983 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cn1 ZINC000191188442 427280603 /nfs/dbraw/zinc/28/06/03/427280603.db2.gz ZHRCPLBYWAQUPB-UHFFFAOYSA-N 2 1 301.438 2.613 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000262146005 427352586 /nfs/dbraw/zinc/35/25/86/427352586.db2.gz MWCRDRKSUBWGPR-BDXSIMOUSA-N 2 1 321.509 2.535 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000270351392 427330720 /nfs/dbraw/zinc/33/07/20/427330720.db2.gz WIVBKHFFTSAEEC-HNAYVOBHSA-N 2 1 315.461 2.847 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000270351392 427330727 /nfs/dbraw/zinc/33/07/27/427330727.db2.gz WIVBKHFFTSAEEC-HNAYVOBHSA-N 2 1 315.461 2.847 20 0 DFADMP COc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191405159 427341916 /nfs/dbraw/zinc/34/19/16/427341916.db2.gz WMUOJDFFVCJXBA-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261890027 427344898 /nfs/dbraw/zinc/34/48/98/427344898.db2.gz NQKSPOBBWQZVST-ROUUACIJSA-N 2 1 321.509 2.537 20 0 DFADMP Fc1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c(Cl)c1 ZINC000262007836 427347832 /nfs/dbraw/zinc/34/78/32/427347832.db2.gz UTZOIHFXXXEMDW-INIZCTEOSA-N 2 1 312.816 2.852 20 0 DFADMP Fc1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c(Cl)c1 ZINC000262007836 427347836 /nfs/dbraw/zinc/34/78/36/427347836.db2.gz UTZOIHFXXXEMDW-INIZCTEOSA-N 2 1 312.816 2.852 20 0 DFADMP CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)[C@H]1CCC[NH2+]CC1 ZINC000262047895 427350251 /nfs/dbraw/zinc/35/02/51/427350251.db2.gz ZGFAEHLQWOBTPL-KRWDZBQOSA-N 2 1 304.482 2.890 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000262896441 427377659 /nfs/dbraw/zinc/37/76/59/427377659.db2.gz DCQFWTRDFZZNNA-PKOBYXMFSA-N 2 1 317.477 2.662 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000191566769 427378288 /nfs/dbraw/zinc/37/82/88/427378288.db2.gz FSTFJSQREAFJCP-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CC(C)=CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285960773 427388130 /nfs/dbraw/zinc/38/81/30/427388130.db2.gz NBQJWBGYPUOBRE-FQEVSTJZSA-N 2 1 313.489 2.845 20 0 DFADMP CC(C)=CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285960773 427388138 /nfs/dbraw/zinc/38/81/38/427388138.db2.gz NBQJWBGYPUOBRE-FQEVSTJZSA-N 2 1 313.489 2.845 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278041337 427389755 /nfs/dbraw/zinc/38/97/55/427389755.db2.gz CLQQYCICTZGXKY-HNNXBMFYSA-N 2 1 321.440 2.938 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278041337 427389764 /nfs/dbraw/zinc/38/97/64/427389764.db2.gz CLQQYCICTZGXKY-HNNXBMFYSA-N 2 1 321.440 2.938 20 0 DFADMP COc1ccc([C@@H](C)C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278066628 427397109 /nfs/dbraw/zinc/39/71/09/427397109.db2.gz ZCHQKDJLQQXJEG-DLBZAZTESA-N 2 1 320.477 2.889 20 0 DFADMP [NH3+]CCN1CC[NH+](Cc2ccc(-c3ccccc3F)s2)CC1 ZINC000263027374 427399852 /nfs/dbraw/zinc/39/98/52/427399852.db2.gz RLDHMQZXWGAKNV-UHFFFAOYSA-N 2 1 319.449 2.631 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263055787 427405024 /nfs/dbraw/zinc/40/50/24/427405024.db2.gz UYYVFJWOROMVFR-IIDMSEBBSA-N 2 1 309.498 2.521 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)c(C)c1OC ZINC000286033290 427407955 /nfs/dbraw/zinc/40/79/55/427407955.db2.gz JIQYOQHPRJOISE-ZDUSSCGKSA-N 2 1 303.406 2.639 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000286069119 427417047 /nfs/dbraw/zinc/41/70/47/427417047.db2.gz LTMQZZFMXGQXLU-OAHLLOKOSA-N 2 1 324.432 2.903 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191466558 427355694 /nfs/dbraw/zinc/35/56/94/427355694.db2.gz QFEJUXUCNTYKHK-IAGOWNOFSA-N 2 1 311.514 2.735 20 0 DFADMP CC[C@@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000191943581 427449293 /nfs/dbraw/zinc/44/92/93/427449293.db2.gz VPIOANTWMWJCKO-INIZCTEOSA-N 2 1 310.482 2.915 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)C1 ZINC000286197996 427451997 /nfs/dbraw/zinc/45/19/97/427451997.db2.gz RMWHBAXLHUHQPZ-QWHCGFSZSA-N 2 1 310.463 2.917 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)C1 ZINC000286197996 427452004 /nfs/dbraw/zinc/45/20/04/427452004.db2.gz RMWHBAXLHUHQPZ-QWHCGFSZSA-N 2 1 310.463 2.917 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)C1 ZINC000286198000 427452227 /nfs/dbraw/zinc/45/22/27/427452227.db2.gz RMWHBAXLHUHQPZ-STQMWFEESA-N 2 1 310.463 2.917 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(C(=O)OC)cs2)C1 ZINC000286198000 427452235 /nfs/dbraw/zinc/45/22/35/427452235.db2.gz RMWHBAXLHUHQPZ-STQMWFEESA-N 2 1 310.463 2.917 20 0 DFADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000184416434 427456507 /nfs/dbraw/zinc/45/65/07/427456507.db2.gz IMYKNRXMWCRKBQ-LZQZEXGQSA-N 2 1 317.477 2.809 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000278871981 427484317 /nfs/dbraw/zinc/48/43/17/427484317.db2.gz OEMSPDADHQYDKV-CRAIPNDOSA-N 2 1 310.445 2.664 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297643631 427420104 /nfs/dbraw/zinc/42/01/04/427420104.db2.gz MTPDOQMXGASRNX-CQSZACIVSA-N 2 1 304.434 2.679 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263140650 427421485 /nfs/dbraw/zinc/42/14/85/427421485.db2.gz CGSLCUMDOJSIQH-RKVPGOIHSA-N 2 1 318.465 2.517 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263140651 427422108 /nfs/dbraw/zinc/42/21/08/427422108.db2.gz CGSLCUMDOJSIQH-RVKKMQEKSA-N 2 1 318.465 2.517 20 0 DFADMP COc1ccc(O[C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297686796 427429104 /nfs/dbraw/zinc/42/91/04/427429104.db2.gz POLKBODFPJXUEI-AWEZNQCLSA-N 2 1 304.434 2.679 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C1 ZINC000293779563 427433228 /nfs/dbraw/zinc/43/32/28/427433228.db2.gz QBDWMIDZMICMHU-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000293779563 427433241 /nfs/dbraw/zinc/43/32/41/427433241.db2.gz QBDWMIDZMICMHU-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000293779563 427433248 /nfs/dbraw/zinc/43/32/48/427433248.db2.gz QBDWMIDZMICMHU-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000293779563 427433255 /nfs/dbraw/zinc/43/32/55/427433255.db2.gz QBDWMIDZMICMHU-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000191858112 427434747 /nfs/dbraw/zinc/43/47/47/427434747.db2.gz HWUKPECPGOSWPY-MANSERQUSA-N 2 1 300.446 2.981 20 0 DFADMP C[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000286150680 427438252 /nfs/dbraw/zinc/43/82/52/427438252.db2.gz PJPBJRBHFDTRAX-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000184361863 427447138 /nfs/dbraw/zinc/44/71/38/427447138.db2.gz NGWQIBHXNXDVSP-HZPDHXFCSA-N 2 1 303.450 2.542 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000286319228 427491239 /nfs/dbraw/zinc/49/12/39/427491239.db2.gz XNXNFJFITAHGGD-CQSZACIVSA-N 2 1 310.405 2.513 20 0 DFADMP C[C@@H](C[S@@](C)=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286327674 427494280 /nfs/dbraw/zinc/49/42/80/427494280.db2.gz YHBXTONRHIULAN-BVUYIUPRSA-N 2 1 322.518 2.786 20 0 DFADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1O ZINC000297990074 427497918 /nfs/dbraw/zinc/49/79/18/427497918.db2.gz YPRXNOLLAARTBO-GOEBONIOSA-N 2 1 306.450 2.953 20 0 DFADMP COc1ccc(F)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000293957486 427502683 /nfs/dbraw/zinc/50/26/83/427502683.db2.gz PPCOMVIGXYDSHP-OAHLLOKOSA-N 2 1 306.425 2.998 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000271352348 427504761 /nfs/dbraw/zinc/50/47/61/427504761.db2.gz DLLVJNGZWBOHHS-BBWFWOEESA-N 2 1 305.466 2.930 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278935950 427506745 /nfs/dbraw/zinc/50/67/45/427506745.db2.gz WYPKPMXCCVDDGT-OAHLLOKOSA-N 2 1 318.396 2.659 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](Oc2ncccc2F)C1 ZINC000278935950 427506750 /nfs/dbraw/zinc/50/67/50/427506750.db2.gz WYPKPMXCCVDDGT-OAHLLOKOSA-N 2 1 318.396 2.659 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc([S@@](C)=O)cc1 ZINC000278939543 427507031 /nfs/dbraw/zinc/50/70/31/427507031.db2.gz KBDQBDSCJIOXAQ-FBJOKTGGSA-N 2 1 317.458 2.534 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000278955922 427513643 /nfs/dbraw/zinc/51/36/43/427513643.db2.gz LUZMGHTZEHUHMB-KGLIPLIRSA-N 2 1 315.417 2.814 20 0 DFADMP COc1ccc(C(=O)CCN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000286411951 427520029 /nfs/dbraw/zinc/52/00/29/427520029.db2.gz LXPCAHNFPQKHMA-WMZOPIPTSA-N 2 1 316.445 2.684 20 0 DFADMP COc1ccc(C(=O)CC[N@@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000286411951 427520037 /nfs/dbraw/zinc/52/00/37/427520037.db2.gz LXPCAHNFPQKHMA-WMZOPIPTSA-N 2 1 316.445 2.684 20 0 DFADMP COc1ccc(C(=O)CC[N@H+]2CC[C@H]3[C@@H](CCCN3C)C2)cc1 ZINC000286411951 427520041 /nfs/dbraw/zinc/52/00/41/427520041.db2.gz LXPCAHNFPQKHMA-WMZOPIPTSA-N 2 1 316.445 2.684 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000287142919 427555219 /nfs/dbraw/zinc/55/52/19/427555219.db2.gz SJGDONZJYHQZQP-SKDZVZGDSA-N 2 1 305.441 2.643 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000287142919 427555224 /nfs/dbraw/zinc/55/52/24/427555224.db2.gz SJGDONZJYHQZQP-SKDZVZGDSA-N 2 1 305.441 2.643 20 0 DFADMP CC(C)OC(=O)C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000298234675 427542455 /nfs/dbraw/zinc/54/24/55/427542455.db2.gz BRFSWTHRUPHBHC-QGZVFWFLSA-N 2 1 315.417 2.635 20 0 DFADMP C[N@H+](CCc1cn[nH]c1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000298245275 427544296 /nfs/dbraw/zinc/54/42/96/427544296.db2.gz CVWMYZLAZOZQCN-UHFFFAOYSA-N 2 1 313.449 2.586 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC[C@H]2C)cc1F ZINC000192504204 427553887 /nfs/dbraw/zinc/55/38/87/427553887.db2.gz RHQMBVOAYTWHCI-WBMJQRKESA-N 2 1 303.381 2.834 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)cc1 ZINC000298461602 427617686 /nfs/dbraw/zinc/61/76/86/427617686.db2.gz WTVNFTBMBJKXSM-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000271485618 427558080 /nfs/dbraw/zinc/55/80/80/427558080.db2.gz IXCKUQXTLDNIEC-CVEARBPZSA-N 2 1 303.450 2.542 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccnn2C)c1 ZINC000338937613 427570358 /nfs/dbraw/zinc/57/03/58/427570358.db2.gz TUFCFFNSPOAKDY-MRXNPFEDSA-N 2 1 312.461 2.779 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(O)c1cccc(Cl)c1 ZINC000185119662 427599820 /nfs/dbraw/zinc/59/98/20/427599820.db2.gz XWNZADOVBLMALM-QGZVFWFLSA-N 2 1 319.836 2.798 20 0 DFADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1c(F)cccc1F ZINC000192868041 427626165 /nfs/dbraw/zinc/62/61/65/427626165.db2.gz PNKVJIVNQUTWCE-PLTIAYLTSA-N 2 1 323.431 2.782 20 0 DFADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1c(F)cccc1F ZINC000192868041 427626171 /nfs/dbraw/zinc/62/61/71/427626171.db2.gz PNKVJIVNQUTWCE-PLTIAYLTSA-N 2 1 323.431 2.782 20 0 DFADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924486 427634619 /nfs/dbraw/zinc/63/46/19/427634619.db2.gz DVUVNVFIEWYDTD-SFHVURJKSA-N 2 1 312.461 2.649 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192909148 427635369 /nfs/dbraw/zinc/63/53/69/427635369.db2.gz FWMCICJGYJQNJH-WZYMTQMTSA-N 2 1 304.434 2.677 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192921040 427636780 /nfs/dbraw/zinc/63/67/80/427636780.db2.gz RYAHQYDCDICKMT-LJQANCHMSA-N 3 1 315.505 2.973 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192921040 427636788 /nfs/dbraw/zinc/63/67/88/427636788.db2.gz RYAHQYDCDICKMT-LJQANCHMSA-N 3 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343101793 272086292 /nfs/dbraw/zinc/08/62/92/272086292.db2.gz JFRIZPFNZPYJHR-SFHVURJKSA-N 2 1 321.896 2.945 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccnc1 ZINC000343244433 272103121 /nfs/dbraw/zinc/10/31/21/272103121.db2.gz IEGBVTUPSDEQFN-HCXYKTFWSA-N 2 1 317.477 2.568 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Cc1cccs1 ZINC000343245968 272103815 /nfs/dbraw/zinc/10/38/15/272103815.db2.gz CFYISDKRGMFORO-LLLHUVSDSA-N 2 1 308.491 2.673 20 0 DFADMP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(C)c2)[C@H]1c1ccccc1 ZINC000343324959 272118332 /nfs/dbraw/zinc/11/83/32/272118332.db2.gz ZCPNIRJPXKDEJD-RBUKOAKNSA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]c(C)c2)[C@H]1c1ccccc1 ZINC000343324959 272118333 /nfs/dbraw/zinc/11/83/33/272118333.db2.gz ZCPNIRJPXKDEJD-RBUKOAKNSA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]c(C)c2)[C@@H]1c1ccccc1 ZINC000343324958 272118631 /nfs/dbraw/zinc/11/86/31/272118631.db2.gz ZCPNIRJPXKDEJD-OALUTQOASA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]c(C)c2)[C@@H]1c1ccccc1 ZINC000343324958 272118633 /nfs/dbraw/zinc/11/86/33/272118633.db2.gz ZCPNIRJPXKDEJD-OALUTQOASA-N 2 1 311.429 2.686 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000343408351 272140248 /nfs/dbraw/zinc/14/02/48/272140248.db2.gz YZENFSOUCOEFMI-UHFFFAOYSA-N 2 1 301.434 2.855 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000343408351 272140249 /nfs/dbraw/zinc/14/02/49/272140249.db2.gz YZENFSOUCOEFMI-UHFFFAOYSA-N 2 1 301.434 2.855 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000343466146 272153975 /nfs/dbraw/zinc/15/39/75/272153975.db2.gz VGOYZCKEKLRNCI-NXHRZFHOSA-N 2 1 317.477 2.668 20 0 DFADMP COC(=O)c1occc1C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000343479585 272156797 /nfs/dbraw/zinc/15/67/97/272156797.db2.gz RGOZYXBNQSEDNM-CQSZACIVSA-N 2 1 308.422 2.668 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(=O)N1CCCC1 ZINC000343509541 272161972 /nfs/dbraw/zinc/16/19/72/272161972.db2.gz RKUXMQXUCHQMEQ-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2ccsc2)CCN1C1CC[NH+](C)CC1 ZINC000343719592 272207833 /nfs/dbraw/zinc/20/78/33/272207833.db2.gz KWEBTADATICQST-MRXNPFEDSA-N 2 1 321.534 2.781 20 0 DFADMP CCCC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000343972490 272245778 /nfs/dbraw/zinc/24/57/78/272245778.db2.gz GJOMNTHJCQVTKD-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1CCCC(F)(F)C1)CC[NH+](C)C ZINC000344064380 272255098 /nfs/dbraw/zinc/25/50/98/272255098.db2.gz NSKQFKPEOZOYBZ-HNNXBMFYSA-N 2 1 305.457 2.627 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000344294594 272306436 /nfs/dbraw/zinc/30/64/36/272306436.db2.gz JEMHBOVTXFCAKP-IBGZPJMESA-N 2 1 308.429 2.612 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)cnc21 ZINC000344637972 272351133 /nfs/dbraw/zinc/35/11/33/272351133.db2.gz XAQBSRAPSVJUMW-CJNGLKHVSA-N 2 1 301.438 2.585 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)cnc21 ZINC000344637972 272351134 /nfs/dbraw/zinc/35/11/34/272351134.db2.gz XAQBSRAPSVJUMW-CJNGLKHVSA-N 2 1 301.438 2.585 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000344662696 272353126 /nfs/dbraw/zinc/35/31/26/272353126.db2.gz KFVCWYUIEZAZRK-IAGOWNOFSA-N 2 1 321.509 2.630 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193313654 427681884 /nfs/dbraw/zinc/68/18/84/427681884.db2.gz MCBIZNMAKSZKKG-HDDXRBDOSA-N 2 1 314.473 2.931 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344676994 272354971 /nfs/dbraw/zinc/35/49/71/272354971.db2.gz JUURBIOCVPEELI-PSBWJHGTSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000344676994 272354973 /nfs/dbraw/zinc/35/49/73/272354973.db2.gz JUURBIOCVPEELI-PSBWJHGTSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000344676994 272354974 /nfs/dbraw/zinc/35/49/74/272354974.db2.gz JUURBIOCVPEELI-PSBWJHGTSA-N 2 1 301.478 2.894 20 0 DFADMP COc1cc(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000344677068 272355228 /nfs/dbraw/zinc/35/52/28/272355228.db2.gz KRQBTVRTKUJQRE-YPMHNXCESA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCN(C)[C@H](C)C2)ccc1OC(F)F ZINC000344677068 272355230 /nfs/dbraw/zinc/35/52/30/272355230.db2.gz KRQBTVRTKUJQRE-YPMHNXCESA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000344677068 272355233 /nfs/dbraw/zinc/35/52/33/272355233.db2.gz KRQBTVRTKUJQRE-YPMHNXCESA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000344677068 272355235 /nfs/dbraw/zinc/35/52/35/272355235.db2.gz KRQBTVRTKUJQRE-YPMHNXCESA-N 2 1 314.376 2.869 20 0 DFADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000279841743 427722134 /nfs/dbraw/zinc/72/21/34/427722134.db2.gz ZXDVDCKDDJSDQC-WDSOQIARSA-N 2 1 320.477 2.589 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287916697 427714567 /nfs/dbraw/zinc/71/45/67/427714567.db2.gz VVUPLHGAGILFFS-QGZVFWFLSA-N 2 1 310.869 2.706 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000336869617 427767812 /nfs/dbraw/zinc/76/78/12/427767812.db2.gz DDOPWSBYPIHGHO-LJQANCHMSA-N 2 1 313.445 2.915 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000336869617 427767814 /nfs/dbraw/zinc/76/78/14/427767814.db2.gz DDOPWSBYPIHGHO-LJQANCHMSA-N 2 1 313.445 2.915 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871835 427769201 /nfs/dbraw/zinc/76/92/01/427769201.db2.gz NIHCOZVZCQWWTA-XJKSGUPXSA-N 2 1 315.465 2.581 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871835 427769204 /nfs/dbraw/zinc/76/92/04/427769204.db2.gz NIHCOZVZCQWWTA-XJKSGUPXSA-N 2 1 315.465 2.581 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871835 427769207 /nfs/dbraw/zinc/76/92/07/427769207.db2.gz NIHCOZVZCQWWTA-XJKSGUPXSA-N 2 1 315.465 2.581 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871835 427769208 /nfs/dbraw/zinc/76/92/08/427769208.db2.gz NIHCOZVZCQWWTA-XJKSGUPXSA-N 2 1 315.465 2.581 20 0 DFADMP CC[C@@H](C)C[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000339407384 427769530 /nfs/dbraw/zinc/76/95/30/427769530.db2.gz KFJBOIZYBYKFOF-CVEARBPZSA-N 2 1 304.482 2.893 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCOC1 ZINC000336656111 427745734 /nfs/dbraw/zinc/74/57/34/427745734.db2.gz KQHWMTLLADATQW-AXDKOMKPSA-N 2 1 314.473 2.912 20 0 DFADMP COc1cc2[nH+]ccc(NCC3=CC[N@@H+](C)CC3)c2cc1OC ZINC000299081762 427748660 /nfs/dbraw/zinc/74/86/60/427748660.db2.gz VSOTUZGEUGNOMQ-UHFFFAOYSA-N 2 1 313.401 2.926 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C(C)(C)n1cncn1 ZINC000340470296 427857326 /nfs/dbraw/zinc/85/73/26/427857326.db2.gz NVXWBZQWUAALKP-OAHLLOKOSA-N 2 1 307.486 2.646 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1CNc1nc(N(C)C)cc[nH+]1 ZINC000301628674 427810677 /nfs/dbraw/zinc/81/06/77/427810677.db2.gz AQGMWGQAUPXRAQ-UHFFFAOYSA-N 2 1 313.449 2.995 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1nc(N(C)C)cc[nH+]1 ZINC000301628674 427810679 /nfs/dbraw/zinc/81/06/79/427810679.db2.gz AQGMWGQAUPXRAQ-UHFFFAOYSA-N 2 1 313.449 2.995 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000337253722 427825104 /nfs/dbraw/zinc/82/51/04/427825104.db2.gz PVFKRYDEPZKBIF-UHFFFAOYSA-N 2 1 314.539 2.831 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000337253722 427825106 /nfs/dbraw/zinc/82/51/06/427825106.db2.gz PVFKRYDEPZKBIF-UHFFFAOYSA-N 2 1 314.539 2.831 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000301811539 427826449 /nfs/dbraw/zinc/82/64/49/427826449.db2.gz HDWKTIICNQTKTO-MRXNPFEDSA-N 2 1 322.416 2.686 20 0 DFADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000340480523 427858685 /nfs/dbraw/zinc/85/86/85/427858685.db2.gz QBAZZAXUYJOTOG-LSDHHAIUSA-N 2 1 317.477 2.736 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1C ZINC000359408057 427839629 /nfs/dbraw/zinc/83/96/29/427839629.db2.gz JWPSYFHWKNUAHZ-ZHCJQAHYSA-N 2 1 308.466 2.571 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc(-n2cncn2)cc1 ZINC000359454479 427858764 /nfs/dbraw/zinc/85/87/64/427858764.db2.gz AZJBNOVJNMTZPD-UHFFFAOYSA-N 2 1 321.428 2.618 20 0 DFADMP CCc1cc(OC)ccc1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000337328415 427846044 /nfs/dbraw/zinc/84/60/44/427846044.db2.gz DYLWFVYNPHFMOE-SFHVURJKSA-N 2 1 320.477 2.584 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[C@@H](C)C1 ZINC000345657202 427848737 /nfs/dbraw/zinc/84/87/37/427848737.db2.gz VFUGDLBLFVBZDF-KZNAEPCWSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349725556 427852277 /nfs/dbraw/zinc/85/22/77/427852277.db2.gz XMFVRFMWNDAYFY-NKGKWGDASA-N 2 1 306.425 2.976 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349725556 427852282 /nfs/dbraw/zinc/85/22/82/427852282.db2.gz XMFVRFMWNDAYFY-NKGKWGDASA-N 2 1 306.425 2.976 20 0 DFADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000340461604 427854762 /nfs/dbraw/zinc/85/47/62/427854762.db2.gz KIROTCLLNBSNOQ-SFHVURJKSA-N 2 1 315.465 2.687 20 0 DFADMP CCSCC[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000355731153 427866641 /nfs/dbraw/zinc/86/66/41/427866641.db2.gz GZSWHOFXIHXRRW-UHFFFAOYSA-N 2 1 321.534 2.667 20 0 DFADMP CC(C)[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000359519178 427887603 /nfs/dbraw/zinc/88/76/03/427887603.db2.gz RDSOECUCXBNBHO-ZWKOTPCHSA-N 2 1 323.525 2.830 20 0 DFADMP CCc1nc(C)cc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000340025858 427903784 /nfs/dbraw/zinc/90/37/84/427903784.db2.gz VBAYBFLWGOSWAO-GOSISDBHSA-N 2 1 324.472 3.324 20 0 DFADMP CCc1nc(NC[C@H]2CC[N@H+](CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000340025858 427903791 /nfs/dbraw/zinc/90/37/91/427903791.db2.gz VBAYBFLWGOSWAO-GOSISDBHSA-N 2 1 324.472 3.324 20 0 DFADMP CCc1nc(NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000340025858 427903798 /nfs/dbraw/zinc/90/37/98/427903798.db2.gz VBAYBFLWGOSWAO-GOSISDBHSA-N 2 1 324.472 3.324 20 0 DFADMP Cc1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)nn1C ZINC000337438844 427905169 /nfs/dbraw/zinc/90/51/69/427905169.db2.gz LBRVLSQWDNHNIV-HNNXBMFYSA-N 2 1 313.449 2.641 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000349971453 427911788 /nfs/dbraw/zinc/91/17/88/427911788.db2.gz JQFRLEONTAYULE-OQIJWPOYSA-N 2 1 324.509 2.623 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccc(Cl)cc1 ZINC000359565500 427912887 /nfs/dbraw/zinc/91/28/87/427912887.db2.gz UZMVLIVWHFVELE-INIZCTEOSA-N 2 1 307.825 2.948 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H]2C)CC1 ZINC000337469176 427920462 /nfs/dbraw/zinc/92/04/62/427920462.db2.gz OPIRZWUTSFKONL-HUUCEWRRSA-N 2 1 321.431 2.675 20 0 DFADMP CC(C)COCC[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000337469788 427920609 /nfs/dbraw/zinc/92/06/09/427920609.db2.gz OUYJZKYBDXPISJ-RTBURBONSA-N 2 1 302.462 2.723 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587546 427923850 /nfs/dbraw/zinc/92/38/50/427923850.db2.gz FCILMUGATARLKM-SJORKVTESA-N 2 1 316.489 2.569 20 0 DFADMP CCCCOc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000359458162 427859861 /nfs/dbraw/zinc/85/98/61/427859861.db2.gz PIUMXHMALOROLO-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000345933209 427957079 /nfs/dbraw/zinc/95/70/79/427957079.db2.gz AKMAYIVNJGXKMS-IKGGRYGDSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC000345933209 427957080 /nfs/dbraw/zinc/95/70/80/427957080.db2.gz AKMAYIVNJGXKMS-IKGGRYGDSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC000345933209 427957085 /nfs/dbraw/zinc/95/70/85/427957085.db2.gz AKMAYIVNJGXKMS-IKGGRYGDSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000359678975 427969317 /nfs/dbraw/zinc/96/93/17/427969317.db2.gz OSNACBRMAHPODI-VQIMIIECSA-N 3 1 301.478 2.712 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000359678975 427969323 /nfs/dbraw/zinc/96/93/23/427969323.db2.gz OSNACBRMAHPODI-VQIMIIECSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340261521 427971072 /nfs/dbraw/zinc/97/10/72/427971072.db2.gz VXQYTBVNVZLHSX-NXWXRZEISA-N 2 1 318.461 2.606 20 0 DFADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340261521 427971076 /nfs/dbraw/zinc/97/10/76/427971076.db2.gz VXQYTBVNVZLHSX-NXWXRZEISA-N 2 1 318.461 2.606 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000341033212 427973688 /nfs/dbraw/zinc/97/36/88/427973688.db2.gz KMSQMHLBGXMDNC-HNAYVOBHSA-N 2 1 302.462 2.673 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@H]1Oc1ccccc1 ZINC000359716187 427986571 /nfs/dbraw/zinc/98/65/71/427986571.db2.gz MHIJQKQYKQNZBZ-KZNAEPCWSA-N 2 1 320.477 2.789 20 0 DFADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000346129000 428030094 /nfs/dbraw/zinc/03/00/94/428030094.db2.gz FJTQHDKTCUCGGC-NEWSRXKRSA-N 2 1 320.477 2.622 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000346131320 428030754 /nfs/dbraw/zinc/03/07/54/428030754.db2.gz ARMFWMGRCCOOLJ-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP C[NH+](C)C1(CNc2cc[nH+]cc2Br)CCCCC1 ZINC000341356261 428043574 /nfs/dbraw/zinc/04/35/74/428043574.db2.gz FJHVYBFUMSIBDW-UHFFFAOYSA-N 2 1 312.255 2.942 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729728 428046791 /nfs/dbraw/zinc/04/67/91/428046791.db2.gz APQJRWUVGPGUQV-IKGGRYGDSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729728 428046794 /nfs/dbraw/zinc/04/67/94/428046794.db2.gz APQJRWUVGPGUQV-IKGGRYGDSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729728 428046798 /nfs/dbraw/zinc/04/67/98/428046798.db2.gz APQJRWUVGPGUQV-IKGGRYGDSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729728 428046802 /nfs/dbraw/zinc/04/68/02/428046802.db2.gz APQJRWUVGPGUQV-IKGGRYGDSA-N 2 1 320.477 2.669 20 0 DFADMP C=Cn1cc(CNC[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000377085229 428054860 /nfs/dbraw/zinc/05/48/60/428054860.db2.gz XNNCOSQMZZDWCB-WMZOPIPTSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000377085229 428054864 /nfs/dbraw/zinc/05/48/64/428054864.db2.gz XNNCOSQMZZDWCB-WMZOPIPTSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000377085229 428054872 /nfs/dbraw/zinc/05/48/72/428054872.db2.gz XNNCOSQMZZDWCB-WMZOPIPTSA-N 2 1 310.445 2.984 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC(F)(F)F)CC2)C[C@H](C)O1 ZINC000369583407 428006535 /nfs/dbraw/zinc/00/65/35/428006535.db2.gz ILKOKSXJHKGVMW-BETUJISGSA-N 2 1 308.388 2.760 20 0 DFADMP Cc1cccc(NC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)[nH+]1 ZINC000369582674 428008478 /nfs/dbraw/zinc/00/84/78/428008478.db2.gz CGZSULURIBGYHQ-GOSISDBHSA-N 2 1 311.429 3.000 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-n3ccnc3)cs2)CC[N@@H+]1C ZINC000346208185 428070072 /nfs/dbraw/zinc/07/00/72/428070072.db2.gz SQTFXSGSYBBNLH-KGLIPLIRSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2cc(-n3ccnc3)cs2)CC[N@H+]1C ZINC000346208185 428070079 /nfs/dbraw/zinc/07/00/79/428070079.db2.gz SQTFXSGSYBBNLH-KGLIPLIRSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2cc(-n3ccnc3)cs2)CC[NH+]1C ZINC000346208185 428070085 /nfs/dbraw/zinc/07/00/85/428070085.db2.gz SQTFXSGSYBBNLH-KGLIPLIRSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2cc(-n3ccnc3)cs2)CC[NH+]1C ZINC000346208185 428070090 /nfs/dbraw/zinc/07/00/90/428070090.db2.gz SQTFXSGSYBBNLH-KGLIPLIRSA-N 2 1 304.463 2.848 20 0 DFADMP Cn1ccnc1-c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000369840222 428073571 /nfs/dbraw/zinc/07/35/71/428073571.db2.gz KGGAIKRSVGBNFV-MSOLQXFVSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCCCO ZINC000377177256 428076181 /nfs/dbraw/zinc/07/61/81/428076181.db2.gz DACQMJDUIHIONR-FUHWJXTLSA-N 2 1 322.518 2.602 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCCCO ZINC000377177255 428077285 /nfs/dbraw/zinc/07/72/85/428077285.db2.gz DACQMJDUIHIONR-AEFFLSMTSA-N 2 1 322.518 2.602 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC(C)(C)[C@@H]2[C@H]2CCCO2)s1 ZINC000356232674 428080627 /nfs/dbraw/zinc/08/06/27/428080627.db2.gz AGAQXEQEOIKRLJ-HIFRSBDPSA-N 2 1 309.479 2.594 20 0 DFADMP CCc1cccc(CN2CCN(c3cc(OC)ccn3)CC2)c1 ZINC000346241903 428088577 /nfs/dbraw/zinc/08/85/77/428088577.db2.gz ILCFYTUXRPUGPV-UHFFFAOYSA-N 2 1 311.429 2.975 20 0 DFADMP COC1(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCC1 ZINC000359976244 428100967 /nfs/dbraw/zinc/10/09/67/428100967.db2.gz NMQBVYHYLRQQBE-UHFFFAOYSA-N 2 1 318.461 2.568 20 0 DFADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000377300808 428100973 /nfs/dbraw/zinc/10/09/73/428100973.db2.gz XTTQHHAJDVCABA-INIZCTEOSA-N 2 1 313.449 2.674 20 0 DFADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000377300808 428100977 /nfs/dbraw/zinc/10/09/77/428100977.db2.gz XTTQHHAJDVCABA-INIZCTEOSA-N 2 1 313.449 2.674 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865855 428115485 /nfs/dbraw/zinc/11/54/85/428115485.db2.gz PFZLGROMTFZILB-SQWLQELKSA-N 2 1 311.429 2.836 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351865855 428115490 /nfs/dbraw/zinc/11/54/90/428115490.db2.gz PFZLGROMTFZILB-SQWLQELKSA-N 2 1 311.429 2.836 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cnn(Cc2ccccc2)c1 ZINC000360015137 428117020 /nfs/dbraw/zinc/11/70/20/428117020.db2.gz KOJXQZVDFHUGTK-CRAIPNDOSA-N 2 1 321.428 2.794 20 0 DFADMP CC[N@H+](CCn1cc[nH+]c1C)[C@@H](COC)Cc1ccccc1 ZINC000346332716 428130867 /nfs/dbraw/zinc/13/08/67/428130867.db2.gz VELHXBPYQLWGNG-GOSISDBHSA-N 2 1 301.434 2.771 20 0 DFADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@@H](COC)Cc1ccccc1 ZINC000346332716 428130871 /nfs/dbraw/zinc/13/08/71/428130871.db2.gz VELHXBPYQLWGNG-GOSISDBHSA-N 2 1 301.434 2.771 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)C[C@@H]1C ZINC000360051713 428134883 /nfs/dbraw/zinc/13/48/83/428134883.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000360051713 428134889 /nfs/dbraw/zinc/13/48/89/428134889.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000360051713 428134897 /nfs/dbraw/zinc/13/48/97/428134897.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000360051713 428134901 /nfs/dbraw/zinc/13/49/01/428134901.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000360051713 428134906 /nfs/dbraw/zinc/13/49/06/428134906.db2.gz GDIWWINELGFRIG-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP COc1cc2c(c(C[N@@H+]3CCCC[C@@H]3CC[NH3+])c1)O[C@H](C)C2 ZINC000352533955 428139688 /nfs/dbraw/zinc/13/96/88/428139688.db2.gz BPEZGWUZPXPFQI-CZUORRHYSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCCC[C@@H]3CC[NH3+])c1)O[C@H](C)C2 ZINC000352533955 428139692 /nfs/dbraw/zinc/13/96/92/428139692.db2.gz BPEZGWUZPXPFQI-CZUORRHYSA-N 2 1 304.434 2.722 20 0 DFADMP COC(=O)c1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352541552 428143082 /nfs/dbraw/zinc/14/30/82/428143082.db2.gz ZCVUBXSTXSDUAJ-UHFFFAOYSA-N 2 1 304.434 2.814 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1CCCO1 ZINC000346475882 428185771 /nfs/dbraw/zinc/18/57/71/428185771.db2.gz CTSNFSPPKHFOJO-GJYPPUQNSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1CCCO1 ZINC000346475882 428185778 /nfs/dbraw/zinc/18/57/78/428185778.db2.gz CTSNFSPPKHFOJO-GJYPPUQNSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413942065 428170774 /nfs/dbraw/zinc/17/07/74/428170774.db2.gz VXHFLZMJARGBCN-CHWSQXEVSA-N 2 1 307.413 2.699 20 0 DFADMP CC(C)C(C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1)C(C)C ZINC000377623467 428176592 /nfs/dbraw/zinc/17/65/92/428176592.db2.gz JPZPLAZKSNJSFL-GOSISDBHSA-N 2 1 309.542 2.874 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356434522 428177915 /nfs/dbraw/zinc/17/79/15/428177915.db2.gz NZRAYBSIMOOPSB-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP OC[C@@H]1C[N@@H+](CCC[NH+]2CCCC2)C[C@H]1c1ccc(Cl)cc1 ZINC000377715475 428205304 /nfs/dbraw/zinc/20/53/04/428205304.db2.gz FARIVKKCGHRZBB-WMZOPIPTSA-N 2 1 322.880 2.834 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000414113636 428209156 /nfs/dbraw/zinc/20/91/56/428209156.db2.gz KZGOZWRWZCAIHD-IAGOWNOFSA-N 2 1 320.477 2.747 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414132386 428213313 /nfs/dbraw/zinc/21/33/13/428213313.db2.gz ZEIRAQAENYLHTQ-DOTOQJQBSA-N 2 1 305.466 2.875 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414132386 428213317 /nfs/dbraw/zinc/21/33/17/428213317.db2.gz ZEIRAQAENYLHTQ-DOTOQJQBSA-N 2 1 305.466 2.875 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414128893 428214498 /nfs/dbraw/zinc/21/44/98/428214498.db2.gz HUIZWDAQYWQYJT-UAGQMJEPSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414128893 428214502 /nfs/dbraw/zinc/21/45/02/428214502.db2.gz HUIZWDAQYWQYJT-UAGQMJEPSA-N 2 1 308.853 2.632 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414130904 428214707 /nfs/dbraw/zinc/21/47/07/428214707.db2.gz XBAJVNIYUQKLIB-HYVNUMGLSA-N 2 1 310.869 2.878 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414128891 428214926 /nfs/dbraw/zinc/21/49/26/428214926.db2.gz HUIZWDAQYWQYJT-OIISXLGYSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414128891 428214932 /nfs/dbraw/zinc/21/49/32/428214932.db2.gz HUIZWDAQYWQYJT-OIISXLGYSA-N 2 1 308.853 2.632 20 0 DFADMP CC(C)[NH2+]CCN1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000370484573 428220440 /nfs/dbraw/zinc/22/04/40/428220440.db2.gz PEMVCIBJLFHXGF-IBGZPJMESA-N 2 1 303.494 2.971 20 0 DFADMP COC[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172297 428225265 /nfs/dbraw/zinc/22/52/65/428225265.db2.gz DSXYHHYSYSCNQB-SUMWQHHRSA-N 2 1 312.404 2.974 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](CCO)CC1CC1 ZINC000352754815 428232877 /nfs/dbraw/zinc/23/28/77/428232877.db2.gz JXMASZUIVBPHSL-UHFFFAOYSA-N 2 1 304.478 2.849 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](CCO)CC1CC1 ZINC000352754815 428232880 /nfs/dbraw/zinc/23/28/80/428232880.db2.gz JXMASZUIVBPHSL-UHFFFAOYSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](CCO)CC1CC1 ZINC000352754815 428232887 /nfs/dbraw/zinc/23/28/87/428232887.db2.gz JXMASZUIVBPHSL-UHFFFAOYSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](CCO)CC1CC1 ZINC000352754815 428232893 /nfs/dbraw/zinc/23/28/93/428232893.db2.gz JXMASZUIVBPHSL-UHFFFAOYSA-N 2 1 304.478 2.849 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)[C@@H](C)C2 ZINC000352757884 428234706 /nfs/dbraw/zinc/23/47/06/428234706.db2.gz LLGKWWHBWSQBMK-XKGZKEIXSA-N 2 1 316.489 2.911 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352756926 428235174 /nfs/dbraw/zinc/23/51/74/428235174.db2.gz SLEIGBHXWQNTHG-RXYHWBRQSA-N 2 1 324.415 2.660 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)nc2)[C@@H](C)C1 ZINC000352760032 428235544 /nfs/dbraw/zinc/23/55/44/428235544.db2.gz NCTFNWQEUPYDPY-LPHOPBHVSA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)nc2)[C@@H](C)C1 ZINC000352760032 428235549 /nfs/dbraw/zinc/23/55/49/428235549.db2.gz NCTFNWQEUPYDPY-LPHOPBHVSA-N 2 1 319.493 2.871 20 0 DFADMP C[N@@H+](Cc1nnc(-c2ccccc2)o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377686213 428197504 /nfs/dbraw/zinc/19/75/04/428197504.db2.gz JXTAMXFJFNJNBG-CQSZACIVSA-N 2 1 323.400 2.628 20 0 DFADMP C[N@H+](Cc1nnc(-c2ccccc2)o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377686213 428197507 /nfs/dbraw/zinc/19/75/07/428197507.db2.gz JXTAMXFJFNJNBG-CQSZACIVSA-N 2 1 323.400 2.628 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414077032 428199160 /nfs/dbraw/zinc/19/91/60/428199160.db2.gz YRYWKYTZNYRLNA-HUUCEWRRSA-N 2 1 300.487 2.527 20 0 DFADMP C[C@H](CCC1CC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000346522512 428204497 /nfs/dbraw/zinc/20/44/97/428204497.db2.gz KHUJWGJMCLPGIJ-VQIMIIECSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](CCC1CC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000346522512 428204500 /nfs/dbraw/zinc/20/45/00/428204500.db2.gz KHUJWGJMCLPGIJ-VQIMIIECSA-N 2 1 302.462 2.792 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000414339876 428263222 /nfs/dbraw/zinc/26/32/22/428263222.db2.gz SYQFPZLEFQMTNU-BZSNNMDCSA-N 2 1 316.445 2.897 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000414339876 428263227 /nfs/dbraw/zinc/26/32/27/428263227.db2.gz SYQFPZLEFQMTNU-BZSNNMDCSA-N 2 1 316.445 2.897 20 0 DFADMP Cc1ccc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)c(C[NH+](C)C)c1 ZINC000377924969 428263897 /nfs/dbraw/zinc/26/38/97/428263897.db2.gz QAEXTXQGQVSKHS-INIZCTEOSA-N 2 1 312.417 2.769 20 0 DFADMP CC[NH+](CC)[C@@H](CNc1cc(C)[nH+]c(C)n1)Cc1ccccc1 ZINC000356659427 428264045 /nfs/dbraw/zinc/26/40/45/428264045.db2.gz WIWQEBUKSXLVEK-GOSISDBHSA-N 2 1 312.461 2.880 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)C1 ZINC000352825602 428265470 /nfs/dbraw/zinc/26/54/70/428265470.db2.gz SRTLNMKARQMOFA-HNNXBMFYSA-N 2 1 324.538 2.806 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)cc1 ZINC000377945880 428269237 /nfs/dbraw/zinc/26/92/37/428269237.db2.gz DIVVVISNRSHUFH-INIZCTEOSA-N 2 1 312.417 2.503 20 0 DFADMP COc1cc(Br)ccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346690299 428273786 /nfs/dbraw/zinc/27/37/86/428273786.db2.gz UAZUOCWZGLYHGZ-UHFFFAOYSA-N 2 1 315.255 2.874 20 0 DFADMP COc1cc(Br)ccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346690299 428273789 /nfs/dbraw/zinc/27/37/89/428273789.db2.gz UAZUOCWZGLYHGZ-UHFFFAOYSA-N 2 1 315.255 2.874 20 0 DFADMP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000370707027 428277280 /nfs/dbraw/zinc/27/72/80/428277280.db2.gz NOCYSFVQCWNMTC-YLJYHZDGSA-N 2 1 315.505 2.761 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346694765 428277420 /nfs/dbraw/zinc/27/74/20/428277420.db2.gz WBLPBCKIKDYQKR-KSSFIOAISA-N 2 1 312.461 2.717 20 0 DFADMP Cc1ccccc1[C@@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000370732876 428285843 /nfs/dbraw/zinc/28/58/43/428285843.db2.gz SJHLHRKJLSHNRW-MSOLQXFVSA-N 2 1 301.478 2.768 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@@H]21 ZINC000342076566 428292072 /nfs/dbraw/zinc/29/20/72/428292072.db2.gz AKEJWFZNOVEKIK-CEXWTWQISA-N 2 1 302.462 2.695 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCSC1 ZINC000414266749 428244230 /nfs/dbraw/zinc/24/42/30/428244230.db2.gz MKOIUXIQFXGYNP-FGTMMUONSA-N 2 1 320.502 2.619 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCSC1 ZINC000414266749 428244232 /nfs/dbraw/zinc/24/42/32/428244232.db2.gz MKOIUXIQFXGYNP-FGTMMUONSA-N 2 1 320.502 2.619 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)[C@@H](C)C1 ZINC000414261503 428244759 /nfs/dbraw/zinc/24/47/59/428244759.db2.gz GZBQNWKTTPWNTJ-JCECYMMASA-N 2 1 312.498 2.527 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](CC)COC ZINC000414262481 428245551 /nfs/dbraw/zinc/24/55/51/428245551.db2.gz IUHZHWUGDYWHQV-GUDVDZBRSA-N 2 1 320.477 2.538 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](CC)COC ZINC000414262481 428245553 /nfs/dbraw/zinc/24/55/53/428245553.db2.gz IUHZHWUGDYWHQV-GUDVDZBRSA-N 2 1 320.477 2.538 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377861664 428248263 /nfs/dbraw/zinc/24/82/63/428248263.db2.gz SHPIEJGBTJGOGA-INIZCTEOSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377861664 428248268 /nfs/dbraw/zinc/24/82/68/428248268.db2.gz SHPIEJGBTJGOGA-INIZCTEOSA-N 2 1 312.417 2.536 20 0 DFADMP C[N@@H+](Cc1cnc(C(C)(C)C)nc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377862236 428248945 /nfs/dbraw/zinc/24/89/45/428248945.db2.gz WGIUTNXSWNFZLX-CQSZACIVSA-N 2 1 313.449 2.665 20 0 DFADMP C[N@H+](Cc1cnc(C(C)(C)C)nc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377862236 428248950 /nfs/dbraw/zinc/24/89/50/428248950.db2.gz WGIUTNXSWNFZLX-CQSZACIVSA-N 2 1 313.449 2.665 20 0 DFADMP C[NH+](C)Cc1cnc(CNc2ccc3c(c2)C[N@@H+](C)C3)s1 ZINC000352786757 428249182 /nfs/dbraw/zinc/24/91/82/428249182.db2.gz JAEAMKLSKWSSTG-UHFFFAOYSA-N 2 1 302.447 2.762 20 0 DFADMP C[NH+](C)Cc1cnc(CNc2ccc3c(c2)C[N@H+](C)C3)s1 ZINC000352786757 428249190 /nfs/dbraw/zinc/24/91/90/428249190.db2.gz JAEAMKLSKWSSTG-UHFFFAOYSA-N 2 1 302.447 2.762 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858684 428249186 /nfs/dbraw/zinc/24/91/86/428249186.db2.gz AUOUKRGHILFWKG-KXBFYZLASA-N 2 1 312.461 2.859 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858684 428249191 /nfs/dbraw/zinc/24/91/91/428249191.db2.gz AUOUKRGHILFWKG-KXBFYZLASA-N 2 1 312.461 2.859 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858684 428249194 /nfs/dbraw/zinc/24/91/94/428249194.db2.gz AUOUKRGHILFWKG-KXBFYZLASA-N 2 1 312.461 2.859 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858684 428249199 /nfs/dbraw/zinc/24/91/99/428249199.db2.gz AUOUKRGHILFWKG-KXBFYZLASA-N 2 1 312.461 2.859 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414281477 428251284 /nfs/dbraw/zinc/25/12/84/428251284.db2.gz BGZHJCAFTBCLLH-UHFFFAOYSA-N 2 1 309.316 2.693 20 0 DFADMP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370612697 428251992 /nfs/dbraw/zinc/25/19/92/428251992.db2.gz PVTNCUBCMZZVLK-KZNAEPCWSA-N 2 1 312.498 2.672 20 0 DFADMP CC(C)Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000377883364 428253567 /nfs/dbraw/zinc/25/35/67/428253567.db2.gz JHPBNZPKUJDJIF-SFHVURJKSA-N 2 1 304.482 2.703 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2c(s1)CCC2 ZINC000360330447 428254344 /nfs/dbraw/zinc/25/43/44/428254344.db2.gz UNLFMUYUXJPXPD-CYBMUJFWSA-N 2 1 308.491 2.734 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000370632396 428256382 /nfs/dbraw/zinc/25/63/82/428256382.db2.gz AIYMDIYWAIXUJW-GXTWGEPZSA-N 2 1 309.454 2.516 20 0 DFADMP CC[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000370646572 428261788 /nfs/dbraw/zinc/26/17/88/428261788.db2.gz WKLZOMFOKHDIIW-GJZGRUSLSA-N 2 1 306.454 2.510 20 0 DFADMP Cn1cc([C@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccc(F)c2)cn1 ZINC000352923473 428315114 /nfs/dbraw/zinc/31/51/14/428315114.db2.gz ALZGKGKIOPKANR-GOSISDBHSA-N 2 1 314.408 2.500 20 0 DFADMP Cn1cc([C@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(F)c2)cn1 ZINC000352923473 428315119 /nfs/dbraw/zinc/31/51/19/428315119.db2.gz ALZGKGKIOPKANR-GOSISDBHSA-N 2 1 314.408 2.500 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCS2)[C@@H](C)C1 ZINC000346785691 428318274 /nfs/dbraw/zinc/31/82/74/428318274.db2.gz CXNIQYROECFKAW-BBWFWOEESA-N 2 1 314.539 2.999 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000356822245 428324051 /nfs/dbraw/zinc/32/40/51/428324051.db2.gz SXIFFCICYHCBAK-HNNXBMFYSA-N 2 1 309.498 2.630 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccncc4)s3)C[C@@H]21 ZINC000346813362 428328165 /nfs/dbraw/zinc/32/81/65/428328165.db2.gz AVWYNGGVYYWVPB-VNQPRFMTSA-N 2 1 314.458 2.764 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]21 ZINC000346822159 428331789 /nfs/dbraw/zinc/33/17/89/428331789.db2.gz FGSXCJKECDOJNC-FHLIZLRMSA-N 2 1 314.408 2.571 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCOC1 ZINC000356840452 428334520 /nfs/dbraw/zinc/33/45/20/428334520.db2.gz FLTZJFRJZSOUGP-UAFMIMERSA-N 2 1 314.473 2.913 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346829853 428335574 /nfs/dbraw/zinc/33/55/74/428335574.db2.gz ODLCFBXXDYCJLS-KCQAQPDRSA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346829853 428335581 /nfs/dbraw/zinc/33/55/81/428335581.db2.gz ODLCFBXXDYCJLS-KCQAQPDRSA-N 2 1 324.852 2.916 20 0 DFADMP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000346833604 428336350 /nfs/dbraw/zinc/33/63/50/428336350.db2.gz SAHCPENPODEWDC-FUHWJXTLSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000346833604 428336352 /nfs/dbraw/zinc/33/63/52/428336352.db2.gz SAHCPENPODEWDC-FUHWJXTLSA-N 2 1 318.461 2.676 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378208778 428336443 /nfs/dbraw/zinc/33/64/43/428336443.db2.gz HSAZYHJUHVFIEA-RHSMWYFYSA-N 2 1 306.454 2.688 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000346832621 428336588 /nfs/dbraw/zinc/33/65/88/428336588.db2.gz LQBCJVSZERDMQT-XOKHGSTOSA-N 2 1 316.836 2.695 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000378211194 428336697 /nfs/dbraw/zinc/33/66/97/428336697.db2.gz OVZVSVDOHDNLND-ZIAGYGMSSA-N 2 1 306.454 2.543 20 0 DFADMP CC[N@H+]1CC[C@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000414548647 428337758 /nfs/dbraw/zinc/33/77/58/428337758.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346833666 428337754 /nfs/dbraw/zinc/33/77/54/428337754.db2.gz MHKNMESRVSTDCX-CGTJXYLNSA-N 2 1 310.445 2.944 20 0 DFADMP CC[NH+]1CC[C@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000414548647 428337762 /nfs/dbraw/zinc/33/77/62/428337762.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000414548647 428337766 /nfs/dbraw/zinc/33/77/66/428337766.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP CCN1CC[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000414548647 428337768 /nfs/dbraw/zinc/33/77/68/428337768.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP CCN1CC[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000414548647 428337772 /nfs/dbraw/zinc/33/77/72/428337772.db2.gz YBHFXHOHGUQTFF-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP Cc1cccc(NC2CCN(C(=O)CCCCCC[NH3+])CC2)[nH+]1 ZINC000378213403 428338661 /nfs/dbraw/zinc/33/86/61/428338661.db2.gz ZVHRPFGQSJAABI-UHFFFAOYSA-N 2 1 318.465 2.702 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccccc2)n1 ZINC000346838364 428339302 /nfs/dbraw/zinc/33/93/02/428339302.db2.gz XBGVGBWUUKMSQP-RYQLBKOJSA-N 2 1 310.445 2.646 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@@H]21 ZINC000346839706 428339511 /nfs/dbraw/zinc/33/95/11/428339511.db2.gz SKLPZTATQHDYBP-MBNYWOFBSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@H]21 ZINC000346839746 428339799 /nfs/dbraw/zinc/33/97/99/428339799.db2.gz SVUSKJODPMJGPB-CGTJXYLNSA-N 2 1 324.428 2.828 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000356858324 428339769 /nfs/dbraw/zinc/33/97/69/428339769.db2.gz XMHBDMBYEDPJSB-RSPOEFSDSA-N 3 1 324.472 2.772 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCCC(F)(F)F)C2)CC1 ZINC000378243188 428345378 /nfs/dbraw/zinc/34/53/78/428345378.db2.gz GARIQZPZYKSGCS-OAHLLOKOSA-N 2 1 321.431 2.819 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000346858467 428346717 /nfs/dbraw/zinc/34/67/17/428346717.db2.gz BHLNORISJANNDY-QRQLOZEOSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000346858467 428346723 /nfs/dbraw/zinc/34/67/23/428346723.db2.gz BHLNORISJANNDY-QRQLOZEOSA-N 2 1 302.462 2.913 20 0 DFADMP CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000378252425 428348577 /nfs/dbraw/zinc/34/85/77/428348577.db2.gz YZKBAUPOZDKUOE-GUDVDZBRSA-N 2 1 302.462 2.933 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346863120 428349427 /nfs/dbraw/zinc/34/94/27/428349427.db2.gz XBOCVRQURMTGDE-GZBFAFLISA-N 2 1 324.852 2.916 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346863120 428349430 /nfs/dbraw/zinc/34/94/30/428349430.db2.gz XBOCVRQURMTGDE-GZBFAFLISA-N 2 1 324.852 2.916 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000342110506 428302606 /nfs/dbraw/zinc/30/26/06/428302606.db2.gz SMMFRGOUMHPWJG-LUKYLMHMSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000342110506 428302610 /nfs/dbraw/zinc/30/26/10/428302610.db2.gz SMMFRGOUMHPWJG-LUKYLMHMSA-N 2 1 315.461 2.690 20 0 DFADMP COc1cc(C[N@@H+](CCC[NH3+])C2CC2)ccc1OC(F)F ZINC000414739533 428391766 /nfs/dbraw/zinc/39/17/66/428391766.db2.gz FZXLDJLMLOWHAZ-UHFFFAOYSA-N 2 1 300.349 2.610 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414747749 428392318 /nfs/dbraw/zinc/39/23/18/428392318.db2.gz SRJVEXROVMGFDK-NJINODPHSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000414750876 428392347 /nfs/dbraw/zinc/39/23/47/428392347.db2.gz YZQVPRQOILCNNF-SJORKVTESA-N 2 1 308.466 2.510 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000414750876 428392350 /nfs/dbraw/zinc/39/23/50/428392350.db2.gz YZQVPRQOILCNNF-SJORKVTESA-N 2 1 308.466 2.510 20 0 DFADMP Cc1cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(C)s1 ZINC000378431233 428394326 /nfs/dbraw/zinc/39/43/26/428394326.db2.gz FCZMQEZZUHRXHT-KRWDZBQOSA-N 2 1 321.534 2.824 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC[NH2+]1 ZINC000414760903 428395657 /nfs/dbraw/zinc/39/56/57/428395657.db2.gz HWIDBFGOYFLGAD-IXDOHACOSA-N 2 1 316.493 2.787 20 0 DFADMP COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@H]1CCC[NH2+]C1 ZINC000346989565 428397405 /nfs/dbraw/zinc/39/74/05/428397405.db2.gz RVJICUACJBDCRL-SFHVURJKSA-N 2 1 320.477 2.576 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2cnn(C)c2)c1 ZINC000414764424 428398598 /nfs/dbraw/zinc/39/85/98/428398598.db2.gz DKCXWPQPJHCMAH-CALCHBBNSA-N 2 1 324.472 2.827 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414763534 428398629 /nfs/dbraw/zinc/39/86/29/428398629.db2.gz CAXHGPWZINTCSS-HDICACEKSA-N 2 1 324.472 2.921 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)cn1 ZINC000414774680 428400527 /nfs/dbraw/zinc/40/05/27/428400527.db2.gz FSGXTIAZKHZKAC-GJZGRUSLSA-N 2 1 316.474 2.755 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC12CCOCC2 ZINC000414773269 428401501 /nfs/dbraw/zinc/40/15/01/428401501.db2.gz DHJBHCDNXLMGIS-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC12CCOCC2 ZINC000414773269 428401505 /nfs/dbraw/zinc/40/15/05/428401505.db2.gz DHJBHCDNXLMGIS-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccnn2C)c1 ZINC000414774994 428401630 /nfs/dbraw/zinc/40/16/30/428401630.db2.gz ZAIGGLSZQWRPPO-CALCHBBNSA-N 2 1 324.472 2.827 20 0 DFADMP CC(C)([NH3+])CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000346998923 428403393 /nfs/dbraw/zinc/40/33/93/428403393.db2.gz YMQNIQSUQNONAV-MSOLQXFVSA-N 2 1 301.478 2.710 20 0 DFADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414775791 428405131 /nfs/dbraw/zinc/40/51/31/428405131.db2.gz GWJKOQWGAAHAFH-MOPGFXCFSA-N 2 1 324.472 2.753 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780639 428405217 /nfs/dbraw/zinc/40/52/17/428405217.db2.gz LUKJVLCUHONJQC-VQTJNVASSA-N 2 1 324.472 2.753 20 0 DFADMP C[NH+](C)Cc1cnc(CN(CCC[NH3+])CC2CCCC2)s1 ZINC000414781334 428405382 /nfs/dbraw/zinc/40/53/82/428405382.db2.gz HISQZWHNUWGWRP-UHFFFAOYSA-N 2 1 310.511 2.546 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414783260 428406810 /nfs/dbraw/zinc/40/68/10/428406810.db2.gz PSHVSCSLGGGFEL-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC12CCOCC2 ZINC000414785747 428409259 /nfs/dbraw/zinc/40/92/59/428409259.db2.gz TWBVNEYITKFOQK-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC12CCOCC2 ZINC000414785747 428409265 /nfs/dbraw/zinc/40/92/65/428409265.db2.gz TWBVNEYITKFOQK-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347021865 428410358 /nfs/dbraw/zinc/41/03/58/428410358.db2.gz NXELRZZPTGQEBF-PWSUYJOCSA-N 2 1 302.340 2.986 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347021865 428410360 /nfs/dbraw/zinc/41/03/60/428410360.db2.gz NXELRZZPTGQEBF-PWSUYJOCSA-N 2 1 302.340 2.986 20 0 DFADMP Brc1cncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786649 428410584 /nfs/dbraw/zinc/41/05/84/428410584.db2.gz UQUJKGTWFWEKNA-ZIAGYGMSSA-N 2 1 324.266 2.666 20 0 DFADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787738 428410869 /nfs/dbraw/zinc/41/08/69/428410869.db2.gz VXWFQVAMNWDGGE-IAGOWNOFSA-N 2 1 310.445 2.694 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789760 428410993 /nfs/dbraw/zinc/41/09/93/428410993.db2.gz YWMVEBRSIVIUMJ-IAGOWNOFSA-N 2 1 310.445 2.898 20 0 DFADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000414785740 428411005 /nfs/dbraw/zinc/41/10/05/428411005.db2.gz TVTFQRDGLMIDQU-OLZOCXBDSA-N 2 1 324.266 2.666 20 0 DFADMP C[NH+]1CCC([NH+]2CCC(CCNC(=O)CC(C)(C)C)CC2)CC1 ZINC000371093261 428356897 /nfs/dbraw/zinc/35/68/97/428356897.db2.gz JRUIUAYSAJNIJE-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(NCC[NH+]2CCCCCC2)CC1 ZINC000356912951 428357625 /nfs/dbraw/zinc/35/76/25/428357625.db2.gz ZZOMNURFDCHOIL-UHFFFAOYSA-N 2 1 321.431 2.869 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNc1cc[nH+]cc1Br ZINC000342232390 428359950 /nfs/dbraw/zinc/35/99/50/428359950.db2.gz YQPUHVGASTVMBE-VXGBXAGGSA-N 2 1 312.255 2.941 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673101 428369888 /nfs/dbraw/zinc/36/98/88/428369888.db2.gz QFXKXEPMCDTBCO-ZBFHGGJFSA-N 2 1 301.438 2.634 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673101 428369894 /nfs/dbraw/zinc/36/98/94/428369894.db2.gz QFXKXEPMCDTBCO-ZBFHGGJFSA-N 2 1 301.438 2.634 20 0 DFADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669071 428371526 /nfs/dbraw/zinc/37/15/26/428371526.db2.gz BEMTXNBNZNYQFL-ZIAGYGMSSA-N 2 1 323.868 2.530 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000357048312 428371881 /nfs/dbraw/zinc/37/18/81/428371881.db2.gz CTPYNXKVBBRWTE-BBWFWOEESA-N 2 1 311.514 2.825 20 0 DFADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000414681433 428372863 /nfs/dbraw/zinc/37/28/63/428372863.db2.gz PEYWWLXJYFIDFI-INIZCTEOSA-N 2 1 303.450 2.711 20 0 DFADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688521 428377488 /nfs/dbraw/zinc/37/74/88/428377488.db2.gz DRDYLJGNVNKWLP-APWZRJJASA-N 2 1 317.477 2.513 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414688007 428377507 /nfs/dbraw/zinc/37/75/07/428377507.db2.gz CYCXRZQNPFGDKJ-GPMSIDNRSA-N 2 1 302.462 2.746 20 0 DFADMP C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301051 428383090 /nfs/dbraw/zinc/38/30/90/428383090.db2.gz CWZANTKCSRPXML-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414714463 428383993 /nfs/dbraw/zinc/38/39/93/428383993.db2.gz PUDBVPMYFLIXIC-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC)C(=O)CCC1CC[NH+](C[C@H]([NH3+])CC(C)C)CC1 ZINC000414713355 428384089 /nfs/dbraw/zinc/38/40/89/428384089.db2.gz OYOJEQCNRCXPCD-QGZVFWFLSA-N 2 1 311.514 2.720 20 0 DFADMP C[NH2+]CCNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414719558 428384818 /nfs/dbraw/zinc/38/48/18/428384818.db2.gz YVAHDYSBDPRJMG-UHFFFAOYSA-N 2 1 318.465 2.792 20 0 DFADMP Cc1c[nH]nc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733501 428387228 /nfs/dbraw/zinc/38/72/28/428387228.db2.gz JKVONYJLRMKHGL-HKUYNNGSSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1c[nH]nc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733501 428387233 /nfs/dbraw/zinc/38/72/33/428387233.db2.gz JKVONYJLRMKHGL-HKUYNNGSSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1cn[nH]c1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733501 428387239 /nfs/dbraw/zinc/38/72/39/428387239.db2.gz JKVONYJLRMKHGL-HKUYNNGSSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1cn[nH]c1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733501 428387242 /nfs/dbraw/zinc/38/72/42/428387242.db2.gz JKVONYJLRMKHGL-HKUYNNGSSA-N 2 1 312.461 2.890 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@@H](C[NH3+])C1 ZINC000347083970 428436094 /nfs/dbraw/zinc/43/60/94/428436094.db2.gz ZTLSTJPQKQKTLI-SFHVURJKSA-N 2 1 303.494 2.815 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000414860372 428436245 /nfs/dbraw/zinc/43/62/45/428436245.db2.gz POARRSWQXBEXPP-HNNXBMFYSA-N 2 1 312.841 2.597 20 0 DFADMP C[C@@H]([NH2+]Cc1sccc1Br)[C@H]1CCC[NH2+]C1 ZINC000414859535 428436893 /nfs/dbraw/zinc/43/68/93/428436893.db2.gz ULBQEXVWRCKOGL-ZJUUUORDSA-N 2 1 303.269 2.988 20 0 DFADMP COc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1OC ZINC000360791965 428439863 /nfs/dbraw/zinc/43/98/63/428439863.db2.gz RGWIJKYZONTDPO-IKGGRYGDSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1OC ZINC000360791965 428439872 /nfs/dbraw/zinc/43/98/72/428439872.db2.gz RGWIJKYZONTDPO-IKGGRYGDSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1OC ZINC000360791965 428439880 /nfs/dbraw/zinc/43/98/80/428439880.db2.gz RGWIJKYZONTDPO-IKGGRYGDSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1OC ZINC000360791965 428439881 /nfs/dbraw/zinc/43/98/81/428439881.db2.gz RGWIJKYZONTDPO-IKGGRYGDSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1OC ZINC000360791965 428439887 /nfs/dbraw/zinc/43/98/87/428439887.db2.gz RGWIJKYZONTDPO-IKGGRYGDSA-N 2 1 316.445 2.620 20 0 DFADMP [NH3+][C@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000414883898 428443924 /nfs/dbraw/zinc/44/39/24/428443924.db2.gz DWBZDMXLEFZHTD-CQSZACIVSA-N 2 1 324.350 2.718 20 0 DFADMP CC(C)c1ncc(C[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000414882247 428444479 /nfs/dbraw/zinc/44/44/79/428444479.db2.gz SHXYCRZZTZFLPM-UHFFFAOYSA-N 2 1 304.463 2.931 20 0 DFADMP Fc1ccc(Br)c(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1 ZINC000353237509 428444854 /nfs/dbraw/zinc/44/48/54/428444854.db2.gz FJKUPFDPYJOMDW-NSHDSACASA-N 2 1 324.197 2.958 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104033 428446591 /nfs/dbraw/zinc/44/65/91/428446591.db2.gz KWKIOLLQLDONJM-CHWSQXEVSA-N 2 1 302.447 2.764 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104033 428446599 /nfs/dbraw/zinc/44/65/99/428446599.db2.gz KWKIOLLQLDONJM-CHWSQXEVSA-N 2 1 302.447 2.764 20 0 DFADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347109433 428449447 /nfs/dbraw/zinc/44/94/47/428449447.db2.gz NKBBUWRSVAISHV-PBWFPOADSA-N 2 1 302.447 2.649 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414902591 428452084 /nfs/dbraw/zinc/45/20/84/428452084.db2.gz KWBFJANXONJZBD-IBGZPJMESA-N 2 1 312.461 2.968 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390200657 428470645 /nfs/dbraw/zinc/47/06/45/428470645.db2.gz VQCYRTJSSXVWAP-OKILXGFUSA-N 2 1 321.852 2.518 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000385379659 428459228 /nfs/dbraw/zinc/45/92/28/428459228.db2.gz ZCMHYYPRHSNSBS-LPHOPBHVSA-N 2 1 304.478 2.988 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414925369 428459242 /nfs/dbraw/zinc/45/92/42/428459242.db2.gz JMYCNDSUAAGHTJ-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP COc1sc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000414936273 428461906 /nfs/dbraw/zinc/46/19/06/428461906.db2.gz BOCAKQCFBKRNOQ-KCJUWKMLSA-N 2 1 319.268 2.607 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000414947998 428464344 /nfs/dbraw/zinc/46/43/44/428464344.db2.gz LQKRIDXBEKEKAT-ZYHUDNBSSA-N 2 1 300.349 2.527 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414947887 428464424 /nfs/dbraw/zinc/46/44/24/428464424.db2.gz LIZUKDCKDHBFIF-WBMJQRKESA-N 2 1 302.397 2.550 20 0 DFADMP CN(C(=O)CCC(C)(C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388557238 428464588 /nfs/dbraw/zinc/46/45/88/428464588.db2.gz YJXTYJLCTQRYTF-KRWDZBQOSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942485 428465688 /nfs/dbraw/zinc/46/56/88/428465688.db2.gz DNYNJNSNJZQAHO-AEFFLSMTSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942485 428465692 /nfs/dbraw/zinc/46/56/92/428465692.db2.gz DNYNJNSNJZQAHO-AEFFLSMTSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942485 428465696 /nfs/dbraw/zinc/46/56/96/428465696.db2.gz DNYNJNSNJZQAHO-AEFFLSMTSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000414947858 428466560 /nfs/dbraw/zinc/46/65/60/428466560.db2.gz XFVUNFKUNJVUQS-QAPCUYQASA-N 2 1 311.429 2.748 20 0 DFADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000414942922 428467182 /nfs/dbraw/zinc/46/71/82/428467182.db2.gz DUCKBAVCGUYBNY-NTHMGXEOSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414950722 428467902 /nfs/dbraw/zinc/46/79/02/428467902.db2.gz GJRAGSWLFOQCMY-AEFFLSMTSA-N 2 1 303.494 2.732 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414950722 428467907 /nfs/dbraw/zinc/46/79/07/428467907.db2.gz GJRAGSWLFOQCMY-AEFFLSMTSA-N 3 1 303.494 2.732 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414950722 428467914 /nfs/dbraw/zinc/46/79/14/428467914.db2.gz GJRAGSWLFOQCMY-AEFFLSMTSA-N 3 1 303.494 2.732 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@]2(C1)CCCOC2 ZINC000342844851 428469346 /nfs/dbraw/zinc/46/93/46/428469346.db2.gz VBCWDMDGAZJDRP-SFHVURJKSA-N 2 1 312.417 2.578 20 0 DFADMP FC(F)CN1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000414797798 428415527 /nfs/dbraw/zinc/41/55/27/428415527.db2.gz BOGDSPDQGMQMFU-UHFFFAOYSA-N 2 1 303.441 2.618 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414811485 428418688 /nfs/dbraw/zinc/41/86/88/428418688.db2.gz JFTPHEDEDOSIEJ-OAHLLOKOSA-N 2 1 300.406 2.876 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357172557 428419000 /nfs/dbraw/zinc/41/90/00/428419000.db2.gz IMDNRSFULBGEIZ-AOIWGVFYSA-N 2 1 321.509 2.537 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1-c1c(F)cccc1F ZINC000414807691 428419679 /nfs/dbraw/zinc/41/96/79/428419679.db2.gz JGVVWIZCLYQGMS-UHFFFAOYSA-N 2 1 308.376 2.962 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414811484 428420013 /nfs/dbraw/zinc/42/00/13/428420013.db2.gz JFTPHEDEDOSIEJ-HNNXBMFYSA-N 2 1 300.406 2.876 20 0 DFADMP [NH3+]C[C@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000414813347 428422300 /nfs/dbraw/zinc/42/23/00/428422300.db2.gz YFEJZPFCZBAMGT-KRWDZBQOSA-N 2 1 307.869 2.631 20 0 DFADMP C[C@@H]([NH3+])CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414825428 428424176 /nfs/dbraw/zinc/42/41/76/428424176.db2.gz SRRZNYVTKHYGJY-SNVBAGLBSA-N 2 1 323.238 2.666 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547892 428424631 /nfs/dbraw/zinc/42/46/31/428424631.db2.gz JLFDBFKLKQPWSP-SFHVURJKSA-N 3 1 316.493 2.714 20 0 DFADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547892 428424635 /nfs/dbraw/zinc/42/46/35/428424635.db2.gz JLFDBFKLKQPWSP-SFHVURJKSA-N 3 1 316.493 2.714 20 0 DFADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547892 428424642 /nfs/dbraw/zinc/42/46/42/428424642.db2.gz JLFDBFKLKQPWSP-SFHVURJKSA-N 3 1 316.493 2.714 20 0 DFADMP CN1CCC[C@H]1CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547892 428424648 /nfs/dbraw/zinc/42/46/48/428424648.db2.gz JLFDBFKLKQPWSP-SFHVURJKSA-N 2 1 316.493 2.714 20 0 DFADMP CN1CCC[C@H]1CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547892 428424654 /nfs/dbraw/zinc/42/46/54/428424654.db2.gz JLFDBFKLKQPWSP-SFHVURJKSA-N 2 1 316.493 2.714 20 0 DFADMP FC(F)(F)CCN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000378553126 428425509 /nfs/dbraw/zinc/42/55/09/428425509.db2.gz SDEBEJOXBNFSRY-HUUCEWRRSA-N 2 1 319.415 2.620 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000378553126 428425513 /nfs/dbraw/zinc/42/55/13/428425513.db2.gz SDEBEJOXBNFSRY-HUUCEWRRSA-N 2 1 319.415 2.620 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000378553126 428425518 /nfs/dbraw/zinc/42/55/18/428425518.db2.gz SDEBEJOXBNFSRY-HUUCEWRRSA-N 2 1 319.415 2.620 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1C ZINC000414832925 428426909 /nfs/dbraw/zinc/42/69/09/428426909.db2.gz FGCUEVNSCYGYAA-ZBFHGGJFSA-N 2 1 305.466 2.984 20 0 DFADMP C[N@H+](CC[NH2+]C1CCN(c2nccs2)CC1)C1CCCC1 ZINC000378564615 428426961 /nfs/dbraw/zinc/42/69/61/428426961.db2.gz ISLFAQBPUNGZBF-UHFFFAOYSA-N 2 1 308.495 2.576 20 0 DFADMP C[N@@H+](CC[NH2+]C1CCN(c2nccs2)CC1)C1CCCC1 ZINC000378564615 428426964 /nfs/dbraw/zinc/42/69/64/428426964.db2.gz ISLFAQBPUNGZBF-UHFFFAOYSA-N 2 1 308.495 2.576 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCC(C)C ZINC000347056601 428429020 /nfs/dbraw/zinc/42/90/20/428429020.db2.gz VOTXXZCSEVLXJE-GOEBONIOSA-N 2 1 306.450 2.899 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)cc1OCC(C)C ZINC000347056601 428429023 /nfs/dbraw/zinc/42/90/23/428429023.db2.gz VOTXXZCSEVLXJE-GOEBONIOSA-N 2 1 306.450 2.899 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CNCC3([NH3+])CCCCC3)sc2C1 ZINC000414843437 428429534 /nfs/dbraw/zinc/42/95/34/428429534.db2.gz OCWCLZAXIWKWPC-UHFFFAOYSA-N 2 1 322.522 2.661 20 0 DFADMP C[C@H]([NH2+]CC1(CO)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372336088 428429966 /nfs/dbraw/zinc/42/99/66/428429966.db2.gz CXMNZHRPRWOKGO-WMZOPIPTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414840737 428430238 /nfs/dbraw/zinc/43/02/38/428430238.db2.gz HFDASAUSNKQCFB-MFKMUULPSA-N 2 1 315.230 2.861 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390916685 428479142 /nfs/dbraw/zinc/47/91/42/428479142.db2.gz FTRPCCBIHKINOB-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390916685 428479146 /nfs/dbraw/zinc/47/91/46/428479146.db2.gz FTRPCCBIHKINOB-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)c1 ZINC000360889813 428479793 /nfs/dbraw/zinc/47/97/93/428479793.db2.gz VBZJIILTPPGFJE-AABGKKOBSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)c1 ZINC000360889813 428479797 /nfs/dbraw/zinc/47/97/97/428479797.db2.gz VBZJIILTPPGFJE-AABGKKOBSA-N 2 1 314.473 2.769 20 0 DFADMP C[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414991580 428483687 /nfs/dbraw/zinc/48/36/87/428483687.db2.gz SMPWUUZIIOEEJW-NXEZZACHSA-N 2 1 303.219 2.717 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000360897335 428483746 /nfs/dbraw/zinc/48/37/46/428483746.db2.gz MAYSDQYRWKIVCX-DLBZAZTESA-N 2 1 304.478 2.642 20 0 DFADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1 ZINC000372675459 428484137 /nfs/dbraw/zinc/48/41/37/428484137.db2.gz OHQGKCFZZRRXHN-KBRIMQKVSA-N 2 1 308.853 2.896 20 0 DFADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1 ZINC000372675459 428484141 /nfs/dbraw/zinc/48/41/41/428484141.db2.gz OHQGKCFZZRRXHN-KBRIMQKVSA-N 2 1 308.853 2.896 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415002465 428484269 /nfs/dbraw/zinc/48/42/69/428484269.db2.gz NKSBWUQMZFSKOS-OAHLLOKOSA-N 2 1 310.388 2.810 20 0 DFADMP Fc1cc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)ccc1OC(F)F ZINC000415002338 428485283 /nfs/dbraw/zinc/48/52/83/428485283.db2.gz MBZWPTUUCBUBKQ-JTQLQIEISA-N 2 1 324.293 2.762 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002331 428485961 /nfs/dbraw/zinc/48/59/61/428485961.db2.gz MBUBKHUVTGAQRK-KBPBESRZSA-N 3 1 322.522 2.517 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002331 428485966 /nfs/dbraw/zinc/48/59/66/428485966.db2.gz MBUBKHUVTGAQRK-KBPBESRZSA-N 3 1 322.522 2.517 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347186312 428487062 /nfs/dbraw/zinc/48/70/62/428487062.db2.gz ZYKGFTRZFCBUJO-SFHVURJKSA-N 2 1 312.461 2.719 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000393907083 428487506 /nfs/dbraw/zinc/48/75/06/428487506.db2.gz IMMACMFPCMXIAH-AWEZNQCLSA-N 2 1 313.486 2.754 20 0 DFADMP CCOc1cc(C[NH2+][C@H](C)[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000415008278 428487758 /nfs/dbraw/zinc/48/77/58/428487758.db2.gz DNVZVWKVTXMJHS-WDEREUQCSA-N 2 1 320.355 2.852 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1ccc(Br)cc1 ZINC000415012004 428488671 /nfs/dbraw/zinc/48/86/71/428488671.db2.gz WTXUURMJRZRVTQ-LLVKDONJSA-N 2 1 319.193 2.784 20 0 DFADMP CCC[N@@H+](CC(=O)N1CCN(C)CC1)[C@@H](CC)c1ccccc1 ZINC000357337751 428488925 /nfs/dbraw/zinc/48/89/25/428488925.db2.gz VRWYMMUSZCNXDV-SFHVURJKSA-N 2 1 317.477 2.624 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2snnc2C)cc1 ZINC000394702072 428489715 /nfs/dbraw/zinc/48/97/15/428489715.db2.gz FXPGRHQZKYPNIP-UHFFFAOYSA-N 2 1 304.463 2.978 20 0 DFADMP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000415028130 428493955 /nfs/dbraw/zinc/49/39/55/428493955.db2.gz CGQGNQZLJCDPNL-WSCSCYJOSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000415028130 428493958 /nfs/dbraw/zinc/49/39/58/428493958.db2.gz CGQGNQZLJCDPNL-WSCSCYJOSA-N 2 1 313.489 2.899 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415037620 428495692 /nfs/dbraw/zinc/49/56/92/428495692.db2.gz GWIYWSBUUGKYPW-KBXCAEBGSA-N 2 1 304.482 2.509 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1C)CCCO2 ZINC000360933574 428497282 /nfs/dbraw/zinc/49/72/82/428497282.db2.gz RKFILNGBAPVOFE-MRXNPFEDSA-N 2 1 301.390 2.704 20 0 DFADMP CC[C@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000415044246 428498653 /nfs/dbraw/zinc/49/86/53/428498653.db2.gz ASNRJCCCTUWKKV-QHGAOEGBSA-N 2 1 315.505 2.986 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415053657 428500715 /nfs/dbraw/zinc/50/07/15/428500715.db2.gz OZCYIRZPEAMJJY-QAPCUYQASA-N 2 1 311.429 2.904 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415050638 428500778 /nfs/dbraw/zinc/50/07/78/428500778.db2.gz IXFMSGCMKDWZMP-DLBZAZTESA-N 2 1 306.450 2.707 20 0 DFADMP COc1cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc1OC(F)F ZINC000415050072 428501706 /nfs/dbraw/zinc/50/17/06/428501706.db2.gz IGAUEDZCOQYNCE-CYBMUJFWSA-N 2 1 302.365 2.760 20 0 DFADMP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)s1)C[C@H](O)C[NH3+] ZINC000415055150 428504589 /nfs/dbraw/zinc/50/45/89/428504589.db2.gz MNZMYKXHUCXLKQ-CYBMUJFWSA-N 2 1 310.850 2.820 20 0 DFADMP C[N@H+](Cc1ccc(-c2cccc(Cl)c2)s1)C[C@H](O)C[NH3+] ZINC000415055150 428504595 /nfs/dbraw/zinc/50/45/95/428504595.db2.gz MNZMYKXHUCXLKQ-CYBMUJFWSA-N 2 1 310.850 2.820 20 0 DFADMP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC000347233587 428504746 /nfs/dbraw/zinc/50/47/46/428504746.db2.gz ZBGGEQAIIWYQQX-UHFFFAOYSA-N 2 1 320.330 2.951 20 0 DFADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1CC[NH2+]CC1 ZINC000347233587 428504750 /nfs/dbraw/zinc/50/47/50/428504750.db2.gz ZBGGEQAIIWYQQX-UHFFFAOYSA-N 2 1 320.330 2.951 20 0 DFADMP C[C@@H](CCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058499 428504859 /nfs/dbraw/zinc/50/48/59/428504859.db2.gz SZYPWQLMIHSQSN-KKXNLOMOSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063179 428506040 /nfs/dbraw/zinc/50/60/40/428506040.db2.gz GZGKOGIJJXDKCO-MLGOLLRUSA-N 2 1 307.413 2.650 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415065649 428506633 /nfs/dbraw/zinc/50/66/33/428506633.db2.gz HAMGFHAABKSYEE-UHFFFAOYSA-N 2 1 300.349 2.528 20 0 DFADMP CCn1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c2ccccc21 ZINC000397471852 428508447 /nfs/dbraw/zinc/50/84/47/428508447.db2.gz XBKVTDMOISYATP-KKUMJFAQSA-N 2 1 300.450 2.861 20 0 DFADMP CCn1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c2ccccc21 ZINC000397471852 428508453 /nfs/dbraw/zinc/50/84/53/428508453.db2.gz XBKVTDMOISYATP-KKUMJFAQSA-N 2 1 300.450 2.861 20 0 DFADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415068454 428508784 /nfs/dbraw/zinc/50/87/84/428508784.db2.gz RBJXEBCARVAHSZ-CXAGYDPISA-N 2 1 319.449 2.519 20 0 DFADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396710 428510000 /nfs/dbraw/zinc/51/00/00/428510000.db2.gz LOCKJTDZRNDLKS-HPFXQQBRSA-N 2 1 317.477 2.511 20 0 DFADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396710 428510005 /nfs/dbraw/zinc/51/00/05/428510005.db2.gz LOCKJTDZRNDLKS-HPFXQQBRSA-N 2 1 317.477 2.511 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415082909 428511614 /nfs/dbraw/zinc/51/16/14/428511614.db2.gz PAQBRQUYNQYJLM-QRVBRYPASA-N 2 1 301.478 2.944 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000360960083 428511771 /nfs/dbraw/zinc/51/17/71/428511771.db2.gz YQPSHBYGSCVHLX-SOLBZPMBSA-N 2 1 323.525 2.924 20 0 DFADMP CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000357392414 428511888 /nfs/dbraw/zinc/51/18/88/428511888.db2.gz SWONOUOJXWTPAW-JKSUJKDBSA-N 2 1 305.470 2.523 20 0 DFADMP CC(C)n1cnnc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000357392414 428511894 /nfs/dbraw/zinc/51/18/94/428511894.db2.gz SWONOUOJXWTPAW-JKSUJKDBSA-N 2 1 305.470 2.523 20 0 DFADMP CC(C)n1cnnc1[C@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000357392414 428511898 /nfs/dbraw/zinc/51/18/98/428511898.db2.gz SWONOUOJXWTPAW-JKSUJKDBSA-N 2 1 305.470 2.523 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000360958982 428512131 /nfs/dbraw/zinc/51/21/31/428512131.db2.gz URBRXEJCBAHKOK-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP O[C@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)C[NH+]1CCCC1 ZINC000360964870 428512822 /nfs/dbraw/zinc/51/28/22/428512822.db2.gz BHUQFFBDENGZRR-LJQANCHMSA-N 2 1 302.462 2.891 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+][C@@H]1C ZINC000398113429 428516854 /nfs/dbraw/zinc/51/68/54/428516854.db2.gz DVDTXPIMNNXKQT-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCO[C@H]1CCCCO1)CC2)C1CC1 ZINC000373118332 428516921 /nfs/dbraw/zinc/51/69/21/428516921.db2.gz QFGURDSYMZFUPI-WMZOPIPTSA-N 2 1 322.493 2.726 20 0 DFADMP C[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000398067496 428520317 /nfs/dbraw/zinc/52/03/17/428520317.db2.gz HYUCQORXIXPDOL-QFBILLFUSA-N 2 1 302.462 2.851 20 0 DFADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353401872 428521843 /nfs/dbraw/zinc/52/18/43/428521843.db2.gz ISLASARVDYCNGQ-RRFJBIMHSA-N 2 1 306.454 2.588 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+]1C ZINC000357408549 428522017 /nfs/dbraw/zinc/52/20/17/428522017.db2.gz GOGSAXMVLPPVOB-DAXOMENPSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+]1C ZINC000357408549 428522019 /nfs/dbraw/zinc/52/20/19/428522019.db2.gz GOGSAXMVLPPVOB-DAXOMENPSA-N 2 1 323.868 2.542 20 0 DFADMP c1c(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc2ccccn12 ZINC000415104350 428522247 /nfs/dbraw/zinc/52/22/47/428522247.db2.gz LFPHGJXKJWNJGM-HKUYNNGSSA-N 2 1 320.440 2.960 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415101862 428522326 /nfs/dbraw/zinc/52/23/26/428522326.db2.gz BSBNLGMVPDURCD-ZFWWWQNUSA-N 2 1 316.424 2.737 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415101862 428522332 /nfs/dbraw/zinc/52/23/32/428522332.db2.gz BSBNLGMVPDURCD-ZFWWWQNUSA-N 2 1 316.424 2.737 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)c1 ZINC000373222833 428522878 /nfs/dbraw/zinc/52/28/78/428522878.db2.gz DTZHRWNJJCEQKC-QKYXUNIQSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)c1 ZINC000373222833 428522881 /nfs/dbraw/zinc/52/28/81/428522881.db2.gz DTZHRWNJJCEQKC-QKYXUNIQSA-N 2 1 323.440 2.782 20 0 DFADMP Cn1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C(F)F)n1 ZINC000360983979 428524153 /nfs/dbraw/zinc/52/41/53/428524153.db2.gz PFHQUPDXTNHRQE-LBPRGKRZSA-N 2 1 302.413 2.814 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1C[NH3+] ZINC000415132751 428532130 /nfs/dbraw/zinc/53/21/30/428532130.db2.gz ULEXTYOXKHGRCO-CHWSQXEVSA-N 2 1 302.397 2.633 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1C[NH3+] ZINC000415132751 428532134 /nfs/dbraw/zinc/53/21/34/428532134.db2.gz ULEXTYOXKHGRCO-CHWSQXEVSA-N 2 1 302.397 2.633 20 0 DFADMP CC[C@@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415126443 428529187 /nfs/dbraw/zinc/52/91/87/428529187.db2.gz MDKHXFYVQCZCJE-YJBOKZPZSA-N 2 1 313.449 2.568 20 0 DFADMP CSc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415126986 428529822 /nfs/dbraw/zinc/52/98/22/428529822.db2.gz HNFGFKLNISGNHA-SJORKVTESA-N 2 1 318.486 2.609 20 0 DFADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c1OC(F)F ZINC000414965846 428475346 /nfs/dbraw/zinc/47/53/46/428475346.db2.gz WAOFLSZAAMUWNA-WCQYABFASA-N 2 1 314.376 2.774 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542949 428586362 /nfs/dbraw/zinc/58/63/62/428586362.db2.gz NXLZRJDDIVEDEA-HZPDHXFCSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000358264189 428590588 /nfs/dbraw/zinc/59/05/88/428590588.db2.gz YOTFXZQPJDTREC-MSOLQXFVSA-N 2 1 302.418 2.786 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000358264189 428590600 /nfs/dbraw/zinc/59/06/00/428590600.db2.gz YOTFXZQPJDTREC-MSOLQXFVSA-N 2 1 302.418 2.786 20 0 DFADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000399115724 428534652 /nfs/dbraw/zinc/53/46/52/428534652.db2.gz FWTQJHOOSFBEIN-ZAWLATJESA-N 2 1 301.478 2.627 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136690 428535975 /nfs/dbraw/zinc/53/59/75/428535975.db2.gz XOKDXIMLMLJIDM-DOTOQJQBSA-N 2 1 312.461 2.812 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438782 428536432 /nfs/dbraw/zinc/53/64/32/428536432.db2.gz VULKAKCOXXNUQI-AKHDSKFASA-N 2 1 301.478 2.752 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438782 428536437 /nfs/dbraw/zinc/53/64/37/428536437.db2.gz VULKAKCOXXNUQI-AKHDSKFASA-N 2 1 301.478 2.752 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438782 428536440 /nfs/dbraw/zinc/53/64/40/428536440.db2.gz VULKAKCOXXNUQI-AKHDSKFASA-N 2 1 301.478 2.752 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451537 428542034 /nfs/dbraw/zinc/54/20/34/428542034.db2.gz AGXSRLSDUHYKGL-VNTMZGSJSA-N 2 1 315.505 2.622 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451537 428542039 /nfs/dbraw/zinc/54/20/39/428542039.db2.gz AGXSRLSDUHYKGL-VNTMZGSJSA-N 2 1 315.505 2.622 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451537 428542042 /nfs/dbraw/zinc/54/20/42/428542042.db2.gz AGXSRLSDUHYKGL-VNTMZGSJSA-N 2 1 315.505 2.622 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@H]21 ZINC000353451486 428542926 /nfs/dbraw/zinc/54/29/26/428542926.db2.gz ABCJDMAOUYANOF-HSALFYBXSA-N 2 1 324.472 2.877 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)[C@@H](C)C1 ZINC000347318236 428543356 /nfs/dbraw/zinc/54/33/56/428543356.db2.gz NALHQSDRFPTEQM-JYJNAYRXSA-N 2 1 318.509 2.815 20 0 DFADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400323552 428544181 /nfs/dbraw/zinc/54/41/81/428544181.db2.gz APYVSWHYAPMFDO-ZAWLATJESA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400442862 428546026 /nfs/dbraw/zinc/54/60/26/428546026.db2.gz ORTZYHYOGOKLQT-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400442862 428546031 /nfs/dbraw/zinc/54/60/31/428546031.db2.gz ORTZYHYOGOKLQT-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000400742100 428547817 /nfs/dbraw/zinc/54/78/17/428547817.db2.gz TWBWYKUCOLDXRF-CJSSEVFESA-N 2 1 313.489 2.627 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)[C@H]2CCC[C@H]21 ZINC000353465204 428548296 /nfs/dbraw/zinc/54/82/96/428548296.db2.gz WGIIQFBYQYPRRG-FGTMMUONSA-N 2 1 314.477 2.513 20 0 DFADMP C[C@H](c1cnccn1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373352344 428554531 /nfs/dbraw/zinc/55/45/31/428554531.db2.gz DVHHIXIMXIPERB-HUUCEWRRSA-N 2 1 300.450 2.734 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000361328773 428557932 /nfs/dbraw/zinc/55/79/32/428557932.db2.gz QYKBXJYYPFGGOB-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361328773 428557936 /nfs/dbraw/zinc/55/79/36/428557936.db2.gz QYKBXJYYPFGGOB-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361328773 428557941 /nfs/dbraw/zinc/55/79/41/428557941.db2.gz QYKBXJYYPFGGOB-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CCOC(C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)OCC ZINC000373362787 428558439 /nfs/dbraw/zinc/55/84/39/428558439.db2.gz OUDCWNNJPYQSEF-UHFFFAOYSA-N 2 1 321.465 2.629 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000404365827 428568056 /nfs/dbraw/zinc/56/80/56/428568056.db2.gz HFSYXSWCEBVHKL-BBRMVZONSA-N 2 1 306.450 2.962 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1C ZINC000404403960 428568268 /nfs/dbraw/zinc/56/82/68/428568268.db2.gz TUPWRBRAXORZHA-RHSMWYFYSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1C ZINC000404403960 428568272 /nfs/dbraw/zinc/56/82/72/428568272.db2.gz TUPWRBRAXORZHA-RHSMWYFYSA-N 2 1 303.450 2.691 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404399313 428569133 /nfs/dbraw/zinc/56/91/33/428569133.db2.gz QBKXFLBRISRFQU-JKSUJKDBSA-N 2 1 306.450 2.913 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(OC)c1OC ZINC000404423298 428569595 /nfs/dbraw/zinc/56/95/95/428569595.db2.gz JUXNFNUNCKAYMT-ZFWWWQNUSA-N 2 1 322.449 2.662 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(OC)c1OC ZINC000404423298 428569597 /nfs/dbraw/zinc/56/95/97/428569597.db2.gz JUXNFNUNCKAYMT-ZFWWWQNUSA-N 2 1 322.449 2.662 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000353518012 428572230 /nfs/dbraw/zinc/57/22/30/428572230.db2.gz KAUQKPVGJZXJIS-VBSBHUPXSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000353518012 428572234 /nfs/dbraw/zinc/57/22/34/428572234.db2.gz KAUQKPVGJZXJIS-VBSBHUPXSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000353518012 428572235 /nfs/dbraw/zinc/57/22/35/428572235.db2.gz KAUQKPVGJZXJIS-VBSBHUPXSA-N 2 1 315.505 2.969 20 0 DFADMP COCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353513132 428572573 /nfs/dbraw/zinc/57/25/73/428572573.db2.gz FBEQMRSVUYKSTK-QRVBRYPASA-N 2 1 317.477 2.707 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353521582 428576267 /nfs/dbraw/zinc/57/62/67/428576267.db2.gz QFJBQZPJWJNYTJ-GBESFXJTSA-N 2 1 310.445 2.835 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000358349276 428597058 /nfs/dbraw/zinc/59/70/58/428597058.db2.gz DNLMNNXVYJPNBC-NUJGCVRESA-N 2 1 313.445 2.701 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000358349276 428597062 /nfs/dbraw/zinc/59/70/62/428597062.db2.gz DNLMNNXVYJPNBC-NUJGCVRESA-N 2 1 313.445 2.701 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000361970014 428606948 /nfs/dbraw/zinc/60/69/48/428606948.db2.gz FEASUMZQBDYZOG-MTNOOBJLSA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000361970014 428606955 /nfs/dbraw/zinc/60/69/55/428606955.db2.gz FEASUMZQBDYZOG-MTNOOBJLSA-N 2 1 315.505 2.683 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415900562 428619980 /nfs/dbraw/zinc/61/99/80/428619980.db2.gz UBIBYENDJACOBP-AWEZNQCLSA-N 2 1 318.465 2.574 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000415903915 428621893 /nfs/dbraw/zinc/62/18/93/428621893.db2.gz RCASIHFFWXOSAN-GJZGRUSLSA-N 2 1 318.465 2.648 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000415907685 428622080 /nfs/dbraw/zinc/62/20/80/428622080.db2.gz BTGINYVHJMPCET-HUUCEWRRSA-N 2 1 318.465 2.743 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415903587 428622102 /nfs/dbraw/zinc/62/21/02/428622102.db2.gz AHSSXDRBKQBNJK-GOEBONIOSA-N 2 1 318.465 2.743 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415928404 428629580 /nfs/dbraw/zinc/62/95/80/428629580.db2.gz HKVHFENYGTZZJG-HUUCEWRRSA-N 2 1 318.465 2.648 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415937410 428630552 /nfs/dbraw/zinc/63/05/52/428630552.db2.gz XEPIWOOVZOLCKO-CQSZACIVSA-N 2 1 306.454 2.648 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415943377 428633529 /nfs/dbraw/zinc/63/35/29/428633529.db2.gz LPJAUGBCOYAFGS-HZPDHXFCSA-N 2 1 316.449 2.544 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@@H](Nc3cc[nH+]cc3C)[C@H](C)C2)s1 ZINC000373517494 428595370 /nfs/dbraw/zinc/59/53/70/428595370.db2.gz DALYNJZZLYKKDR-CXAGYDPISA-N 2 1 316.474 2.899 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347521243 428595802 /nfs/dbraw/zinc/59/58/02/428595802.db2.gz LGTBGLYIHVEYLQ-CALCHBBNSA-N 2 1 323.525 2.593 20 0 DFADMP COCC[C@H](COC)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353642426 428636693 /nfs/dbraw/zinc/63/66/93/428636693.db2.gz LMRBAWNAFDSOHJ-QXAKKESOSA-N 2 1 320.477 2.538 20 0 DFADMP COCC[N@@H+]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1C ZINC000301426150 274031204 /nfs/dbraw/zinc/03/12/04/274031204.db2.gz UCQQZRRNQMBCQM-CYBMUJFWSA-N 2 1 303.381 2.531 20 0 DFADMP COCC[N@H+]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1C ZINC000301426150 274031205 /nfs/dbraw/zinc/03/12/05/274031205.db2.gz UCQQZRRNQMBCQM-CYBMUJFWSA-N 2 1 303.381 2.531 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415969312 428637232 /nfs/dbraw/zinc/63/72/32/428637232.db2.gz FVBAIXCBSJWJAD-CABCVRRESA-N 2 1 318.465 2.648 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979444 428639276 /nfs/dbraw/zinc/63/92/76/428639276.db2.gz QVESUOSFRFSLHE-QLFBSQMISA-N 2 1 318.465 2.633 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000415978088 428639822 /nfs/dbraw/zinc/63/98/22/428639822.db2.gz ZYSWNCAOWCXWCD-GASCZTMLSA-N 2 1 318.465 2.790 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@](C)(O)C1CC1 ZINC000344412109 428639990 /nfs/dbraw/zinc/63/99/90/428639990.db2.gz UYEGFHLVIUYPMF-LJQANCHMSA-N 2 1 304.478 2.895 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000415983471 428641888 /nfs/dbraw/zinc/64/18/88/428641888.db2.gz ZNBFHLKOYIAGPF-KRWDZBQOSA-N 2 1 316.449 2.531 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000415958645 428635771 /nfs/dbraw/zinc/63/57/71/428635771.db2.gz LXSDDJVIUCBZAL-MRXNPFEDSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000416022808 428651531 /nfs/dbraw/zinc/65/15/31/428651531.db2.gz ZJSXFVDMPYEURK-INIZCTEOSA-N 2 1 318.465 2.648 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000366213852 274129266 /nfs/dbraw/zinc/12/92/66/274129266.db2.gz ZKJRRTLRYFAXLE-UWWPHRKUSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000366213852 274129267 /nfs/dbraw/zinc/12/92/67/274129267.db2.gz ZKJRRTLRYFAXLE-UWWPHRKUSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000316745071 274139118 /nfs/dbraw/zinc/13/91/18/274139118.db2.gz ILSBSDOJHHUUHS-JJRVBVJISA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000316745071 274139119 /nfs/dbraw/zinc/13/91/19/274139119.db2.gz ILSBSDOJHHUUHS-JJRVBVJISA-N 2 1 302.418 2.735 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000362199805 428657024 /nfs/dbraw/zinc/65/70/24/428657024.db2.gz KWOJHJIXLFAVNZ-RBSFLKMASA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000362199805 428657028 /nfs/dbraw/zinc/65/70/28/428657028.db2.gz KWOJHJIXLFAVNZ-RBSFLKMASA-N 2 1 307.869 2.991 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000344462720 428651908 /nfs/dbraw/zinc/65/19/08/428651908.db2.gz VQSCBTPHAIIPDU-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000268887498 274248587 /nfs/dbraw/zinc/24/85/87/274248587.db2.gz ZJAYHZNCUQYKFA-CHWSQXEVSA-N 2 1 316.367 2.813 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000358776378 428669894 /nfs/dbraw/zinc/66/98/94/428669894.db2.gz PZLHKIBEEOREOH-ATZDWAIDSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1Cc1ccccc1 ZINC000358776378 428669900 /nfs/dbraw/zinc/66/99/00/428669900.db2.gz PZLHKIBEEOREOH-ATZDWAIDSA-N 2 1 324.472 2.910 20 0 DFADMP O[C@@]1(C[NH2+]C[C@H]2CC=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344541656 428675409 /nfs/dbraw/zinc/67/54/09/428675409.db2.gz VYWUWRBKMKBRLG-PKOBYXMFSA-N 2 1 300.446 2.569 20 0 DFADMP O[C@@]1(C[NH2+]C[C@H]2CC=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541656 428675411 /nfs/dbraw/zinc/67/54/11/428675411.db2.gz VYWUWRBKMKBRLG-PKOBYXMFSA-N 2 1 300.446 2.569 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000348315349 428704969 /nfs/dbraw/zinc/70/49/69/428704969.db2.gz ITOFRRGFWQDWFV-MDNKFWRPSA-N 2 1 314.473 2.865 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnn(CCOC)c1 ZINC000344773487 428705689 /nfs/dbraw/zinc/70/56/89/428705689.db2.gz NSDOLGXFGWSDCA-QZTJIDSGSA-N 2 1 322.497 2.520 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000374604385 428709619 /nfs/dbraw/zinc/70/96/19/428709619.db2.gz NAODVHDWCLKUFG-UHFFFAOYSA-N 2 1 315.461 2.884 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000374604385 428709622 /nfs/dbraw/zinc/70/96/22/428709622.db2.gz NAODVHDWCLKUFG-UHFFFAOYSA-N 2 1 315.461 2.884 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4=CCCOC4)[C@@H]3C2)cc1 ZINC000374605485 428709930 /nfs/dbraw/zinc/70/99/30/428709930.db2.gz PGAXWZXMADZFIO-XUVXKRRUSA-N 2 1 312.457 2.833 20 0 DFADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3CCCC3)CC2)C[C@@H](C)O1 ZINC000358872752 428712850 /nfs/dbraw/zinc/71/28/50/428712850.db2.gz MXTXGCALBHOSIQ-IAGOWNOFSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000348383610 428729282 /nfs/dbraw/zinc/72/92/82/428729282.db2.gz DPDBMTQPTKYBLP-WVZRYYJFSA-N 2 1 310.869 2.734 20 0 DFADMP CSC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CC1 ZINC000348254165 428679310 /nfs/dbraw/zinc/67/93/10/428679310.db2.gz NPVODHUMMSPZPG-KRWDZBQOSA-N 2 1 320.502 2.629 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348251942 428680257 /nfs/dbraw/zinc/68/02/57/428680257.db2.gz ALTSKLWKXAMSRO-UXHICEINSA-N 2 1 315.505 2.653 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416163549 428680506 /nfs/dbraw/zinc/68/05/06/428680506.db2.gz YFPXUXRXKQLWHU-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000344636690 428685078 /nfs/dbraw/zinc/68/50/78/428685078.db2.gz VKRRWTHBCBXSEN-WBMJQRKESA-N 2 1 302.397 2.788 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCCCn2cccn2)C1 ZINC000348264920 428685402 /nfs/dbraw/zinc/68/54/02/428685402.db2.gz BXEOIMNNQYYPAU-SFHVURJKSA-N 2 1 304.482 2.717 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000348264920 428685404 /nfs/dbraw/zinc/68/54/04/428685404.db2.gz BXEOIMNNQYYPAU-SFHVURJKSA-N 2 1 304.482 2.717 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCCCn2cccn2)C1 ZINC000348264920 428685411 /nfs/dbraw/zinc/68/54/11/428685411.db2.gz BXEOIMNNQYYPAU-SFHVURJKSA-N 2 1 304.482 2.717 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000353749786 428691312 /nfs/dbraw/zinc/69/13/12/428691312.db2.gz MLQRGCZECRRLGM-RHSMWYFYSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000353749786 428691323 /nfs/dbraw/zinc/69/13/23/428691323.db2.gz MLQRGCZECRRLGM-RHSMWYFYSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000353749786 428691330 /nfs/dbraw/zinc/69/13/30/428691330.db2.gz MLQRGCZECRRLGM-RHSMWYFYSA-N 2 1 304.434 2.778 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2C[C@@H](F)C[C@@H]2CO)cc1 ZINC000348487352 428755783 /nfs/dbraw/zinc/75/57/83/428755783.db2.gz BDFIXSJULXLOTN-YLQAJVPDSA-N 2 1 303.381 2.646 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2C[C@@H](F)C[C@@H]2CO)cc1 ZINC000348487352 428755790 /nfs/dbraw/zinc/75/57/90/428755790.db2.gz BDFIXSJULXLOTN-YLQAJVPDSA-N 2 1 303.381 2.646 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000353869352 428756298 /nfs/dbraw/zinc/75/62/98/428756298.db2.gz QRGWDSXPMZWRRE-CRAIPNDOSA-N 2 1 306.450 2.532 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000353869365 428756630 /nfs/dbraw/zinc/75/66/30/428756630.db2.gz QRGWDSXPMZWRRE-YJBOKZPZSA-N 2 1 306.450 2.532 20 0 DFADMP COC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411241891 428765088 /nfs/dbraw/zinc/76/50/88/428765088.db2.gz VQHMHMNKCIGAKE-GOSISDBHSA-N 2 1 316.445 2.810 20 0 DFADMP COC(=O)[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411241891 428765090 /nfs/dbraw/zinc/76/50/90/428765090.db2.gz VQHMHMNKCIGAKE-GOSISDBHSA-N 2 1 316.445 2.810 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411248987 428765591 /nfs/dbraw/zinc/76/55/91/428765591.db2.gz YGTMSWGQBPETKZ-CCKFTAQKSA-N 2 1 320.452 2.706 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)cs1 ZINC000374862804 428768512 /nfs/dbraw/zinc/76/85/12/428768512.db2.gz MLOPAKAGIKYECR-INIZCTEOSA-N 2 1 309.479 2.528 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)cs1 ZINC000374862804 428768517 /nfs/dbraw/zinc/76/85/17/428768517.db2.gz MLOPAKAGIKYECR-INIZCTEOSA-N 2 1 309.479 2.528 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000359018376 428774867 /nfs/dbraw/zinc/77/48/67/428774867.db2.gz MXSCIZIKIVHLMP-LMMKCTJWSA-N 2 1 318.509 2.612 20 0 DFADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC000374879419 428774864 /nfs/dbraw/zinc/77/48/64/428774864.db2.gz TWJLNZUEUTZHKH-HNNXBMFYSA-N 2 1 321.431 2.821 20 0 DFADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCCCC(F)(F)F)C2)CC1 ZINC000374879419 428774870 /nfs/dbraw/zinc/77/48/70/428774870.db2.gz TWJLNZUEUTZHKH-HNNXBMFYSA-N 2 1 321.431 2.821 20 0 DFADMP OCC[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411309124 428776544 /nfs/dbraw/zinc/77/65/44/428776544.db2.gz JBXJDNURTMQLSR-QGZVFWFLSA-N 2 1 302.462 2.877 20 0 DFADMP CC(C)(C)[N@@H+](CC(N)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411327175 428778173 /nfs/dbraw/zinc/77/81/73/428778173.db2.gz RBWUCQRLHLDFBJ-UHFFFAOYSA-N 2 1 317.477 2.758 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000411399777 428790099 /nfs/dbraw/zinc/79/00/99/428790099.db2.gz MGJRCYKNWDEOTK-HNNXBMFYSA-N 2 1 314.433 2.565 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(C)c1ccccc1 ZINC000411399777 428790103 /nfs/dbraw/zinc/79/01/03/428790103.db2.gz MGJRCYKNWDEOTK-HNNXBMFYSA-N 2 1 314.433 2.565 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358934741 428738244 /nfs/dbraw/zinc/73/82/44/428738244.db2.gz KZJBDBOPMIWWOZ-HLLBOEOZSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358934741 428738250 /nfs/dbraw/zinc/73/82/50/428738250.db2.gz KZJBDBOPMIWWOZ-HLLBOEOZSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411117651 428743095 /nfs/dbraw/zinc/74/30/95/428743095.db2.gz LXCNHDSDEFIUQB-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000411117651 428743102 /nfs/dbraw/zinc/74/31/02/428743102.db2.gz LXCNHDSDEFIUQB-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000411117651 428743108 /nfs/dbraw/zinc/74/31/08/428743108.db2.gz LXCNHDSDEFIUQB-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000354065901 428846496 /nfs/dbraw/zinc/84/64/96/428846496.db2.gz SRIUOTNCBUVVRY-RYQLBKOJSA-N 2 1 323.525 2.780 20 0 DFADMP CC(=O)Nc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000354078844 428851101 /nfs/dbraw/zinc/85/11/01/428851101.db2.gz ZAJBLFUHFUMQPF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000354078844 428851106 /nfs/dbraw/zinc/85/11/06/428851106.db2.gz ZAJBLFUHFUMQPF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000354078844 428851110 /nfs/dbraw/zinc/85/11/10/428851110.db2.gz ZAJBLFUHFUMQPF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000354078844 428851113 /nfs/dbraw/zinc/85/11/13/428851113.db2.gz ZAJBLFUHFUMQPF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000354078844 428851120 /nfs/dbraw/zinc/85/11/20/428851120.db2.gz ZAJBLFUHFUMQPF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP OC[C@H]1CSCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411425462 428796220 /nfs/dbraw/zinc/79/62/20/428796220.db2.gz MLMKUQLRNUQMDE-SFHVURJKSA-N 2 1 320.502 2.582 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCC1(O)CCC1 ZINC000411427393 428797172 /nfs/dbraw/zinc/79/71/72/428797172.db2.gz IMZTWOFWXFOCSP-UHFFFAOYSA-N 2 1 317.477 2.925 20 0 DFADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]12 ZINC000411499584 428805209 /nfs/dbraw/zinc/80/52/09/428805209.db2.gz DERRIAIANLXDQK-HSALFYBXSA-N 2 1 314.473 2.875 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353988673 428806595 /nfs/dbraw/zinc/80/65/95/428806595.db2.gz WROAGVIRMRDTLN-INIZCTEOSA-N 2 1 322.522 2.884 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353988673 428806603 /nfs/dbraw/zinc/80/66/03/428806603.db2.gz WROAGVIRMRDTLN-INIZCTEOSA-N 2 1 322.522 2.884 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000353988857 428808219 /nfs/dbraw/zinc/80/82/19/428808219.db2.gz YHWMLOPSDHAVDZ-BRWVUGGUSA-N 2 1 304.482 2.910 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000353988857 428808225 /nfs/dbraw/zinc/80/82/25/428808225.db2.gz YHWMLOPSDHAVDZ-BRWVUGGUSA-N 2 1 304.482 2.910 20 0 DFADMP CCCNC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518631 428812003 /nfs/dbraw/zinc/81/20/03/428812003.db2.gz PVVSJTFJHNAMLV-JKSUJKDBSA-N 2 1 309.498 2.535 20 0 DFADMP CCCCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520633 428812095 /nfs/dbraw/zinc/81/20/95/428812095.db2.gz WJUAIHRATUICRI-JKSUJKDBSA-N 2 1 309.498 2.535 20 0 DFADMP Cc1cc(C)cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000362940341 428815576 /nfs/dbraw/zinc/81/55/76/428815576.db2.gz DHIZIIAGOBKURY-IBGZPJMESA-N 2 1 301.478 2.515 20 0 DFADMP O[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC12CC2 ZINC000411559713 428816190 /nfs/dbraw/zinc/81/61/90/428816190.db2.gz APLDJIIWDRPNEH-GOSISDBHSA-N 2 1 300.446 2.629 20 0 DFADMP CCc1ncc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)s1 ZINC000354080517 428853039 /nfs/dbraw/zinc/85/30/39/428853039.db2.gz ABUNIEJDEVJTAW-CQSZACIVSA-N 2 1 311.495 2.638 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@@H]1C ZINC000411619490 428824344 /nfs/dbraw/zinc/82/43/44/428824344.db2.gz XKMFJZRAGXTVOQ-FUHWJXTLSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1CO ZINC000411614227 428825179 /nfs/dbraw/zinc/82/51/79/428825179.db2.gz KPBSWBDUUHMSRV-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359116190 428825223 /nfs/dbraw/zinc/82/52/23/428825223.db2.gz PNUKCBOIGRGMPU-SJLPKXTDSA-N 2 1 317.477 2.545 20 0 DFADMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359116190 428825231 /nfs/dbraw/zinc/82/52/31/428825231.db2.gz PNUKCBOIGRGMPU-SJLPKXTDSA-N 2 1 317.477 2.545 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@@H]21 ZINC000375229830 428826784 /nfs/dbraw/zinc/82/67/84/428826784.db2.gz POYJSAVQOQAWHL-LPHOPBHVSA-N 2 1 310.445 2.707 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029546 428830425 /nfs/dbraw/zinc/83/04/25/428830425.db2.gz TYFLIQRIKGMWAF-JKSUJKDBSA-N 2 1 310.482 2.818 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029546 428830430 /nfs/dbraw/zinc/83/04/30/428830430.db2.gz TYFLIQRIKGMWAF-JKSUJKDBSA-N 2 1 310.482 2.818 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)n1 ZINC000354082998 428853343 /nfs/dbraw/zinc/85/33/43/428853343.db2.gz ASJYPKGONCAOTP-XSCHDIRWSA-N 2 1 306.454 2.731 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)n1 ZINC000354082998 428853350 /nfs/dbraw/zinc/85/33/50/428853350.db2.gz ASJYPKGONCAOTP-XSCHDIRWSA-N 2 1 306.454 2.731 20 0 DFADMP C[N@@H+](CCCNC(=O)NCC1([NH3+])CCCCC1)C1CCCCC1 ZINC000417012719 428841135 /nfs/dbraw/zinc/84/11/35/428841135.db2.gz AYCLITOSKBACOI-UHFFFAOYSA-N 2 1 324.513 2.602 20 0 DFADMP CC(C)C(C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000375273060 428841121 /nfs/dbraw/zinc/84/11/21/428841121.db2.gz WQWQNVCVNYWTKI-IEBWSBKVSA-N 2 1 309.542 2.872 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000417044283 428844027 /nfs/dbraw/zinc/84/40/27/428844027.db2.gz XVNTVTIMXIUZDZ-DOTOQJQBSA-N 2 1 324.513 2.552 20 0 DFADMP CC[N@H+](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C1CC1 ZINC000348834127 428854298 /nfs/dbraw/zinc/85/42/98/428854298.db2.gz RXFHOJGMEDTYJQ-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP CC[N@@H+](CCNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)C1CC1 ZINC000348834127 428854304 /nfs/dbraw/zinc/85/43/04/428854304.db2.gz RXFHOJGMEDTYJQ-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000359212175 428866131 /nfs/dbraw/zinc/86/61/31/428866131.db2.gz GBIBQGIRHIZIIS-FQEVSTJZSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359210608 428867354 /nfs/dbraw/zinc/86/73/54/428867354.db2.gz LNCBTMIYMHPODI-GOSISDBHSA-N 2 1 315.505 2.973 20 0 DFADMP c1ccc2c(c1)CO[C@]21CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000375395928 428871857 /nfs/dbraw/zinc/87/18/57/428871857.db2.gz ZDJBOWRCHNUEDU-IBGZPJMESA-N 2 1 300.446 2.994 20 0 DFADMP c1ccc2c(c1)CO[C@]21CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000375395928 428871864 /nfs/dbraw/zinc/87/18/64/428871864.db2.gz ZDJBOWRCHNUEDU-IBGZPJMESA-N 2 1 300.446 2.994 20 0 DFADMP c1cc([C@@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc2c1OCO2 ZINC000359222739 428872165 /nfs/dbraw/zinc/87/21/65/428872165.db2.gz YPUQDEQGSNTGNV-INIZCTEOSA-N 2 1 302.418 2.942 20 0 DFADMP c1cc([C@H]2CCC[N@@H+]2CCC2CC[NH2+]CC2)cc2c1OCO2 ZINC000359222746 428873424 /nfs/dbraw/zinc/87/34/24/428873424.db2.gz YPUQDEQGSNTGNV-MRXNPFEDSA-N 2 1 302.418 2.942 20 0 DFADMP C[C@H]1C[C@@H](O)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877065 428874210 /nfs/dbraw/zinc/87/42/10/428874210.db2.gz QFSAQXXRKDBYHR-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCCCc3ccccc3)CC2)C1 ZINC000375401686 428875288 /nfs/dbraw/zinc/87/52/88/428875288.db2.gz HKXYVPRAOKIIMS-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP CCC[C@@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348973667 428890590 /nfs/dbraw/zinc/89/05/90/428890590.db2.gz IJHYRTRJGSWERY-RBUKOAKNSA-N 2 1 301.478 2.550 20 0 DFADMP OC[C@@]1(Cc2ccccc2)CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000375470846 428892914 /nfs/dbraw/zinc/89/29/14/428892914.db2.gz QRSNWZYKARHHTQ-IBGZPJMESA-N 2 1 302.462 2.542 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@H]2O)[C@H]1c1ccccc1 ZINC000375482214 428896453 /nfs/dbraw/zinc/89/64/53/428896453.db2.gz MXSLVEJEOQJMOF-NCXUSEDFSA-N 2 1 302.462 2.963 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000359310595 428914019 /nfs/dbraw/zinc/91/40/19/428914019.db2.gz JVACDXWTKGXPEH-AQNXPRMDSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000359310595 428914026 /nfs/dbraw/zinc/91/40/26/428914026.db2.gz JVACDXWTKGXPEH-AQNXPRMDSA-N 2 1 314.473 2.792 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000349077878 428914593 /nfs/dbraw/zinc/91/45/93/428914593.db2.gz QPBXBXFGIJSGIG-AWEZNQCLSA-N 2 1 313.873 2.781 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212005 428918937 /nfs/dbraw/zinc/91/89/37/428918937.db2.gz ZBHBPSCQTJEIRJ-NVXWUHKLSA-N 2 1 303.450 2.820 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212005 428918940 /nfs/dbraw/zinc/91/89/40/428918940.db2.gz ZBHBPSCQTJEIRJ-NVXWUHKLSA-N 2 1 303.450 2.820 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212005 428918942 /nfs/dbraw/zinc/91/89/42/428918942.db2.gz ZBHBPSCQTJEIRJ-NVXWUHKLSA-N 2 1 303.450 2.820 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C)C[C@@H]1C ZINC000354220889 428922671 /nfs/dbraw/zinc/92/26/71/428922671.db2.gz FWFYQRJWEAWGBF-BZSNNMDCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C)C[C@@H]1C ZINC000354220889 428922675 /nfs/dbraw/zinc/92/26/75/428922675.db2.gz FWFYQRJWEAWGBF-BZSNNMDCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C)C[C@@H]1C ZINC000354220889 428922679 /nfs/dbraw/zinc/92/26/79/428922679.db2.gz FWFYQRJWEAWGBF-BZSNNMDCSA-N 2 1 320.477 2.539 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000363480352 428925318 /nfs/dbraw/zinc/92/53/18/428925318.db2.gz XIZSPMWSTLYNSC-IAGOWNOFSA-N 2 1 304.482 2.955 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000363480352 428925324 /nfs/dbraw/zinc/92/53/24/428925324.db2.gz XIZSPMWSTLYNSC-IAGOWNOFSA-N 2 1 304.482 2.955 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000363480352 428925328 /nfs/dbraw/zinc/92/53/28/428925328.db2.gz XIZSPMWSTLYNSC-IAGOWNOFSA-N 2 1 304.482 2.955 20 0 DFADMP C[C@@H]1[C@@H](NCCC[NH2+]C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423552405 428971457 /nfs/dbraw/zinc/97/14/57/428971457.db2.gz JWONZBNFKLSAGN-APWZRJJASA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]CCC[NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000423552405 428971467 /nfs/dbraw/zinc/97/14/67/428971467.db2.gz JWONZBNFKLSAGN-APWZRJJASA-N 2 1 301.478 2.771 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349190183 428936189 /nfs/dbraw/zinc/93/61/89/428936189.db2.gz MNXIWKLWGRZYDD-MRXNPFEDSA-N 2 1 303.450 2.562 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C)n2n1 ZINC000363532331 428938001 /nfs/dbraw/zinc/93/80/01/428938001.db2.gz AHAZQICIECHALQ-CWRNSKLLSA-N 2 1 313.449 2.624 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c(C)n2n1 ZINC000363532331 428938006 /nfs/dbraw/zinc/93/80/06/428938006.db2.gz AHAZQICIECHALQ-CWRNSKLLSA-N 2 1 313.449 2.624 20 0 DFADMP Cc1cc([C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C2CC2)ccc1F ZINC000359376086 428945271 /nfs/dbraw/zinc/94/52/71/428945271.db2.gz UCJNQIDNTGTPIT-FUHWJXTLSA-N 2 1 306.425 2.632 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]2[C@@H]2CCC[N@@H+]2C)c1C ZINC000363632978 428957166 /nfs/dbraw/zinc/95/71/66/428957166.db2.gz LYBVKLDQDFIQJK-DLBZAZTESA-N 2 1 303.450 2.766 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)c1C ZINC000363632978 428957170 /nfs/dbraw/zinc/95/71/70/428957170.db2.gz LYBVKLDQDFIQJK-DLBZAZTESA-N 2 1 303.450 2.766 20 0 DFADMP Nc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314870 428957656 /nfs/dbraw/zinc/95/76/56/428957656.db2.gz RBMWCIZJXSZDAL-MOPGFXCFSA-N 2 1 324.472 2.836 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000375752905 428961765 /nfs/dbraw/zinc/96/17/65/428961765.db2.gz HBJMWROPXOPLME-CEXWTWQISA-N 2 1 324.472 2.729 20 0 DFADMP CC[C@@H]1C[C@H](C)CC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354311155 428963083 /nfs/dbraw/zinc/96/30/83/428963083.db2.gz JJJVEPCXEXVDMA-JFIYKMOQSA-N 2 1 323.525 2.734 20 0 DFADMP Cn1nccc1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375754777 428964027 /nfs/dbraw/zinc/96/40/27/428964027.db2.gz DKYVGUCWCRMJQR-HXUWFJFHSA-N 2 1 324.472 2.561 20 0 DFADMP C[N@H+](C/C=C\c1ccc(F)c(F)c1)CCCN1CC[NH+](C)CC1 ZINC000349331313 428964425 /nfs/dbraw/zinc/96/44/25/428964425.db2.gz LHEHUFZBYQBDED-HYXAFXHYSA-N 2 1 323.431 2.547 20 0 DFADMP CC[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000423548448 428972540 /nfs/dbraw/zinc/97/25/40/428972540.db2.gz RFSQUEHWVAIMDZ-SFHVURJKSA-N 2 1 311.429 2.994 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000375928518 429019068 /nfs/dbraw/zinc/01/90/68/429019068.db2.gz AYRPXOWDDFYDGP-GOSISDBHSA-N 2 1 321.509 2.773 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421711679 429019995 /nfs/dbraw/zinc/01/99/95/429019995.db2.gz PBWBYKVACPYAHC-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CCN(CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C)CC(F)(F)F ZINC000355096493 429027563 /nfs/dbraw/zinc/02/75/63/429027563.db2.gz LDBUIGQXFIGCSV-CABCVRRESA-N 2 1 323.447 2.923 20 0 DFADMP CCN(CCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C)CC(F)(F)F ZINC000355096493 429027566 /nfs/dbraw/zinc/02/75/66/429027566.db2.gz LDBUIGQXFIGCSV-CABCVRRESA-N 2 1 323.447 2.923 20 0 DFADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000423579894 428974437 /nfs/dbraw/zinc/97/44/37/428974437.db2.gz WVFURDQEOJAFDM-QGZVFWFLSA-N 2 1 324.472 2.726 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCF ZINC000375801037 428978236 /nfs/dbraw/zinc/97/82/36/428978236.db2.gz GWOUBVPTNNRWKF-RSJGLCBASA-N 2 1 312.473 2.994 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]1CCF ZINC000375801037 428978241 /nfs/dbraw/zinc/97/82/41/428978241.db2.gz GWOUBVPTNNRWKF-RSJGLCBASA-N 2 1 312.473 2.994 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000451801167 428980694 /nfs/dbraw/zinc/98/06/94/428980694.db2.gz QBXLQACUWUCGKK-QGZVFWFLSA-N 2 1 303.381 2.794 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375814879 428984098 /nfs/dbraw/zinc/98/40/98/428984098.db2.gz NSRGTMWXBZBHMA-HRCADAONSA-N 2 1 320.481 2.947 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375814879 428984102 /nfs/dbraw/zinc/98/41/02/428984102.db2.gz NSRGTMWXBZBHMA-HRCADAONSA-N 2 1 320.481 2.947 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375819342 428984223 /nfs/dbraw/zinc/98/42/23/428984223.db2.gz ZSTBHABTUHFDBS-HZPDHXFCSA-N 2 1 320.481 2.900 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375819342 428984226 /nfs/dbraw/zinc/98/42/26/428984226.db2.gz ZSTBHABTUHFDBS-HZPDHXFCSA-N 2 1 320.481 2.900 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000349452467 428989646 /nfs/dbraw/zinc/98/96/46/428989646.db2.gz JSOBCNZEOKHEFO-KXBFYZLASA-N 2 1 321.428 2.997 20 0 DFADMP CC[NH+]1CCC([N@H+](C[C@@H](O)CCc2ccccc2)C2CC2)CC1 ZINC000363777171 428989714 /nfs/dbraw/zinc/98/97/14/428989714.db2.gz NQFCTFUBBMVNLC-FQEVSTJZSA-N 2 1 316.489 2.929 20 0 DFADMP CC[NH+]1CCC([N@@H+](C[C@@H](O)CCc2ccccc2)C2CC2)CC1 ZINC000363777171 428989721 /nfs/dbraw/zinc/98/97/21/428989721.db2.gz NQFCTFUBBMVNLC-FQEVSTJZSA-N 2 1 316.489 2.929 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cncc(F)c1 ZINC000363779603 428991929 /nfs/dbraw/zinc/99/19/29/428991929.db2.gz APZKMOYKMKHMTD-IDCJVQTKSA-N 2 1 321.440 2.761 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cncc(F)c1 ZINC000363779603 428991943 /nfs/dbraw/zinc/99/19/43/428991943.db2.gz APZKMOYKMKHMTD-IDCJVQTKSA-N 2 1 321.440 2.761 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CC2)[C@H](C)C1 ZINC000433084365 428993957 /nfs/dbraw/zinc/99/39/57/428993957.db2.gz SJUGDHXQVLETJS-HUUCEWRRSA-N 2 1 300.512 2.609 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000375845974 428996222 /nfs/dbraw/zinc/99/62/22/428996222.db2.gz ZRKULJPJAZXBFQ-NZSAHSFTSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000375845974 428996229 /nfs/dbraw/zinc/99/62/29/428996229.db2.gz ZRKULJPJAZXBFQ-NZSAHSFTSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000423725424 429004059 /nfs/dbraw/zinc/00/40/59/429004059.db2.gz IWIMFHYVGLJOMF-DNVCBOLYSA-N 2 1 323.440 2.835 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000423725424 429004062 /nfs/dbraw/zinc/00/40/62/429004062.db2.gz IWIMFHYVGLJOMF-DNVCBOLYSA-N 2 1 323.440 2.835 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000375905720 429013578 /nfs/dbraw/zinc/01/35/78/429013578.db2.gz NSDMIGJLRWCGHY-IAGOWNOFSA-N 2 1 319.468 2.987 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1OC ZINC000423462963 429091267 /nfs/dbraw/zinc/09/12/67/429091267.db2.gz AEWHKARAIFCPGZ-YPMHNXCESA-N 2 1 314.376 2.599 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1nc2c(s1)CCCC2 ZINC000423462972 429091325 /nfs/dbraw/zinc/09/13/25/429091325.db2.gz AGTIZQKJIHXCMW-GHMZBOCLSA-N 2 1 315.433 2.917 20 0 DFADMP CCCCOCC[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000434497146 429092711 /nfs/dbraw/zinc/09/27/11/429092711.db2.gz CGSMARMZUMLJLX-GOSISDBHSA-N 2 1 305.466 2.652 20 0 DFADMP [NH3+][C@H](CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)CC1CCCCC1 ZINC000424139828 429097861 /nfs/dbraw/zinc/09/78/61/429097861.db2.gz VQGLUQASPVCKSS-IAGOWNOFSA-N 2 1 321.509 2.665 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000423473378 429095211 /nfs/dbraw/zinc/09/52/11/429095211.db2.gz HCDCIPPECLXVBS-VQIMIIECSA-N 2 1 319.493 2.804 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423847315 429035698 /nfs/dbraw/zinc/03/56/98/429035698.db2.gz PZQOQFPVSBJWPU-SUMDDJOVSA-N 2 1 317.477 2.531 20 0 DFADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1C[C@@H]1[NH3+])C1CCCCC1 ZINC000424137151 429096301 /nfs/dbraw/zinc/09/63/01/429096301.db2.gz OMPMZISWCHLWNV-CVEARBPZSA-N 2 1 301.434 2.737 20 0 DFADMP COC[C@H]1CCCC[N@H+]1C/C=C\C[NH+]1CCCC[C@H]1COC ZINC000452043301 429042545 /nfs/dbraw/zinc/04/25/45/429042545.db2.gz VFDNMLLJHVKAOM-UNWHRZBZSA-N 2 1 310.482 2.544 20 0 DFADMP COC[C@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@H]1COC ZINC000452043301 429042547 /nfs/dbraw/zinc/04/25/47/429042547.db2.gz VFDNMLLJHVKAOM-UNWHRZBZSA-N 2 1 310.482 2.544 20 0 DFADMP COC[C@H]1CCCC[NH+]1C/C=C\C[N@H+]1CCCC[C@H]1COC ZINC000452043301 429042551 /nfs/dbraw/zinc/04/25/51/429042551.db2.gz VFDNMLLJHVKAOM-UNWHRZBZSA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376066573 429051905 /nfs/dbraw/zinc/05/19/05/429051905.db2.gz ICLZLBCFOLQHQY-ZFRRBFPSSA-N 2 1 310.482 2.544 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423283852 429056089 /nfs/dbraw/zinc/05/60/89/429056089.db2.gz WKULAAWWMJPOCX-CXAGYDPISA-N 2 1 318.465 2.948 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423278202 429056275 /nfs/dbraw/zinc/05/62/75/429056275.db2.gz QTUKYKZFNPBDBE-IPJUCJBFSA-N 3 1 303.494 2.875 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000423481639 429096900 /nfs/dbraw/zinc/09/69/00/429096900.db2.gz QFJJBUGYOPYOBM-WBMJQRKESA-N 2 1 320.387 2.829 20 0 DFADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423284872 429057112 /nfs/dbraw/zinc/05/71/12/429057112.db2.gz XHVVSRILEGSUHB-QMTHXVAHSA-N 2 1 302.447 2.901 20 0 DFADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423284870 429057825 /nfs/dbraw/zinc/05/78/25/429057825.db2.gz XHVVSRILEGSUHB-HZMBPMFUSA-N 2 1 302.447 2.901 20 0 DFADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423311069 429060434 /nfs/dbraw/zinc/06/04/34/429060434.db2.gz BHIHDBRSGSIOQL-RBUKOAKNSA-N 2 1 311.429 2.701 20 0 DFADMP [NH3+]C1(C[NH2+][C@H]2CCc3sc(Br)cc32)CCC1 ZINC000423317130 429062946 /nfs/dbraw/zinc/06/29/46/429062946.db2.gz CHPVSGCRAJIHFN-VIFPVBQESA-N 2 1 301.253 2.969 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1 ZINC000423953704 429063261 /nfs/dbraw/zinc/06/32/61/429063261.db2.gz QTXGFZHQSFWGKQ-GOSISDBHSA-N 2 1 317.477 2.728 20 0 DFADMP CCC[NH2+]CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423319328 429063577 /nfs/dbraw/zinc/06/35/77/429063577.db2.gz ZWAMQDANVNDTCM-HSALFYBXSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423311470 429063982 /nfs/dbraw/zinc/06/39/82/429063982.db2.gz TYPGOKBXRMQDNK-LSDHHAIUSA-N 2 1 303.450 2.701 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1F ZINC000423327201 429064517 /nfs/dbraw/zinc/06/45/17/429064517.db2.gz DAYKGCMPHCYPNP-NXEZZACHSA-N 2 1 301.203 2.848 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(OC)CC2)cc1 ZINC000423327215 429065336 /nfs/dbraw/zinc/06/53/36/429065336.db2.gz JTEFFOITPGDRIP-SOTJZCEJSA-N 2 1 318.461 2.688 20 0 DFADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000423323651 429065654 /nfs/dbraw/zinc/06/56/54/429065654.db2.gz IIOJJDVUXIVVLZ-GUDVDZBRSA-N 2 1 313.489 2.901 20 0 DFADMP Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)nc1 ZINC000434015041 429066731 /nfs/dbraw/zinc/06/67/31/429066731.db2.gz HPWMQAVJMYGAOA-HKUYNNGSSA-N 2 1 310.445 2.910 20 0 DFADMP Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc1 ZINC000434015041 429066734 /nfs/dbraw/zinc/06/67/34/429066734.db2.gz HPWMQAVJMYGAOA-HKUYNNGSSA-N 2 1 310.445 2.910 20 0 DFADMP Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc1 ZINC000434015041 429066737 /nfs/dbraw/zinc/06/67/37/429066737.db2.gz HPWMQAVJMYGAOA-HKUYNNGSSA-N 2 1 310.445 2.910 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423337942 429067033 /nfs/dbraw/zinc/06/70/33/429067033.db2.gz AOWJBBGUTFBWCT-QGZVFWFLSA-N 2 1 313.489 2.591 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)cc1 ZINC000423334633 429068623 /nfs/dbraw/zinc/06/86/23/429068623.db2.gz QXCHMVMEQSQHMD-HOTGVXAUSA-N 2 1 317.477 2.948 20 0 DFADMP [NH3+]CC(F)(F)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423348383 429069668 /nfs/dbraw/zinc/06/96/68/429069668.db2.gz STPAMSOKKRPTGA-GVDBMIGSSA-N 2 1 323.431 2.613 20 0 DFADMP [NH3+]CC(F)(F)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423348383 429069672 /nfs/dbraw/zinc/06/96/72/429069672.db2.gz STPAMSOKKRPTGA-GVDBMIGSSA-N 2 1 323.431 2.613 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423347886 429069767 /nfs/dbraw/zinc/06/97/67/429069767.db2.gz SCDOEALTIIQVMH-ZRNYENFQSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423347886 429069770 /nfs/dbraw/zinc/06/97/70/429069770.db2.gz SCDOEALTIIQVMH-ZRNYENFQSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423347886 429069772 /nfs/dbraw/zinc/06/97/72/429069772.db2.gz SCDOEALTIIQVMH-ZRNYENFQSA-N 3 1 313.489 2.629 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1Br ZINC000423343227 429070306 /nfs/dbraw/zinc/07/03/06/429070306.db2.gz ZQIRUSJUSKFLPW-SNVBAGLBSA-N 2 1 313.239 2.990 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H](C)[NH3+] ZINC000423341376 429070498 /nfs/dbraw/zinc/07/04/98/429070498.db2.gz CKHWZVZRWHKDDN-SJLPKXTDSA-N 2 1 323.525 2.720 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000423345335 429070774 /nfs/dbraw/zinc/07/07/74/429070774.db2.gz YTXIRCNOILOXCC-AWEZNQCLSA-N 2 1 303.450 2.701 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423363733 429071152 /nfs/dbraw/zinc/07/11/52/429071152.db2.gz VCWHTZHGGVUARV-IAGOWNOFSA-N 2 1 309.498 2.521 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423361857 429071794 /nfs/dbraw/zinc/07/17/94/429071794.db2.gz SHPWNHIPHGWURQ-MTQWCTHYSA-N 2 1 313.489 2.629 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H](C)[NH3+] ZINC000423359882 429072622 /nfs/dbraw/zinc/07/26/22/429072622.db2.gz PUHYRJOPVYTESO-XDNAFOTISA-N 2 1 323.525 2.719 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)c2C1 ZINC000423367537 429074013 /nfs/dbraw/zinc/07/40/13/429074013.db2.gz CQHZBPIDPSZNAV-ZFWWWQNUSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+][C@H]3C)c2C1 ZINC000423367537 429074017 /nfs/dbraw/zinc/07/40/17/429074017.db2.gz CQHZBPIDPSZNAV-ZFWWWQNUSA-N 2 1 301.434 2.739 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423365528 429075119 /nfs/dbraw/zinc/07/51/19/429075119.db2.gz BVVXVLSFHMFTFQ-BLLLJJGKSA-N 2 1 309.404 2.664 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000423371735 429075583 /nfs/dbraw/zinc/07/55/83/429075583.db2.gz HVVLOYXJJABCSJ-DZKIICNBSA-N 2 1 306.450 2.673 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@H]2C)c1 ZINC000423378797 429076494 /nfs/dbraw/zinc/07/64/94/429076494.db2.gz ZYDHWFWHNWJXDT-YJBOKZPZSA-N 2 1 317.477 2.531 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C2CC2)C[C@H](C)C1 ZINC000452169987 429078232 /nfs/dbraw/zinc/07/82/32/429078232.db2.gz HLJTVEQFFHETLI-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423386614 429079258 /nfs/dbraw/zinc/07/92/58/429079258.db2.gz MATUDGXHOJFITD-CQDKDKBSSA-N 2 1 317.412 2.635 20 0 DFADMP C[C@@H]1[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CCC[N@H+]1Cc1ccccc1 ZINC000423398731 429081368 /nfs/dbraw/zinc/08/13/68/429081368.db2.gz VIKHUJOUVGAQKS-NBMJBFSESA-N 2 1 301.478 2.770 20 0 DFADMP COC[C@@]1(C[NH2+][C@@H](COCc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423412864 429084046 /nfs/dbraw/zinc/08/40/46/429084046.db2.gz IXEWKGIXBLRKLE-OALUTQOASA-N 2 1 320.477 2.586 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000423422184 429085306 /nfs/dbraw/zinc/08/53/06/429085306.db2.gz YNHXTZPIRWUZKM-RDTXWAMCSA-N 2 1 315.461 2.701 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@H]1C ZINC000423422326 429085488 /nfs/dbraw/zinc/08/54/88/429085488.db2.gz KXRPTQPHGXKIIT-KEYYUXOJSA-N 2 1 303.450 2.651 20 0 DFADMP Brc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423430276 429086612 /nfs/dbraw/zinc/08/66/12/429086612.db2.gz KVZMZNFWQKFPHT-BARDWOONSA-N 2 1 307.235 2.708 20 0 DFADMP CC1(C)C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cc(Br)ccc21 ZINC000423434522 429087542 /nfs/dbraw/zinc/08/75/42/429087542.db2.gz OCAWDTYSCWIONU-MYZSUADSSA-N 2 1 321.262 2.979 20 0 DFADMP O=C(NC[C@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000434448991 429087838 /nfs/dbraw/zinc/08/78/38/429087838.db2.gz UKDBQSMVCRBRLI-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000434448991 429087841 /nfs/dbraw/zinc/08/78/41/429087841.db2.gz UKDBQSMVCRBRLI-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000434448991 429087843 /nfs/dbraw/zinc/08/78/43/429087843.db2.gz UKDBQSMVCRBRLI-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@H](C)C1 ZINC000424442228 429143381 /nfs/dbraw/zinc/14/33/81/429143381.db2.gz XPHZLGKTRLSNNU-RHSMWYFYSA-N 2 1 318.465 2.648 20 0 DFADMP COc1cc2[nH+]ccc(N3CC[N@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000413132229 429143696 /nfs/dbraw/zinc/14/36/96/429143696.db2.gz SXQBYPAWDOHRDS-CYBMUJFWSA-N 2 1 313.401 2.536 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@@H](C)C1 ZINC000487265813 429146151 /nfs/dbraw/zinc/14/61/51/429146151.db2.gz BLUHOANRXORCKW-CKBYELGGSA-N 2 1 317.477 2.821 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000376671425 429157811 /nfs/dbraw/zinc/15/78/11/429157811.db2.gz KUIOGTZEMKRUBB-UHFFFAOYSA-N 2 1 302.418 2.723 20 0 DFADMP CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626275 429154557 /nfs/dbraw/zinc/15/45/57/429154557.db2.gz KEWDWVYYAFXLPF-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626275 429154562 /nfs/dbraw/zinc/15/45/62/429154562.db2.gz KEWDWVYYAFXLPF-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000423490860 429098207 /nfs/dbraw/zinc/09/82/07/429098207.db2.gz ZHNDUYWTPVDXNC-NEPJUHHUSA-N 2 1 314.376 2.599 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424138614 429098448 /nfs/dbraw/zinc/09/84/48/429098448.db2.gz CSYFDPBMADCZEQ-HFTRVMKXSA-N 2 1 321.509 2.663 20 0 DFADMP C[C@@H]1C[C@H](N[C@H](C[NH3+])C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000423497082 429098676 /nfs/dbraw/zinc/09/86/76/429098676.db2.gz FYXQYIUIFQDRQE-AYOQOUSVSA-N 2 1 301.478 2.757 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000423497334 429098792 /nfs/dbraw/zinc/09/87/92/429098792.db2.gz GNTQTOWPAKXKTK-SMDDNHRTSA-N 2 1 311.495 2.809 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000424139051 429099318 /nfs/dbraw/zinc/09/93/18/429099318.db2.gz DVAPAQPXHNYHTQ-DJIMGWMZSA-N 2 1 309.498 2.663 20 0 DFADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1C(C)(C)C1(C)C ZINC000423501863 429100556 /nfs/dbraw/zinc/10/05/56/429100556.db2.gz DFALHIOKUSIZMT-QQFBHYJXSA-N 2 1 307.526 2.863 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423506508 429101323 /nfs/dbraw/zinc/10/13/23/429101323.db2.gz HWMWKTUQTWYHHA-CADBVGFASA-N 2 1 324.472 2.792 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1NC(C)=O ZINC000423505054 429101598 /nfs/dbraw/zinc/10/15/98/429101598.db2.gz HBOXMOOXUIRTNJ-YVEFUNNKSA-N 2 1 319.449 2.822 20 0 DFADMP CCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000434685996 429104276 /nfs/dbraw/zinc/10/42/76/429104276.db2.gz SMRRMUQGFDIGTG-XYJFISCASA-N 2 1 317.477 2.798 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1 ZINC000434671488 429104997 /nfs/dbraw/zinc/10/49/97/429104997.db2.gz UWMMNSWYRRYAKT-HZPDHXFCSA-N 2 1 317.477 2.741 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424181396 429106992 /nfs/dbraw/zinc/10/69/92/429106992.db2.gz RBXUDRPQBXXANG-NXHRZFHOSA-N 2 1 323.525 2.863 20 0 DFADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000423525658 429108215 /nfs/dbraw/zinc/10/82/15/429108215.db2.gz KUKCJPIUTYDLDW-MFKWGIFDSA-N 2 1 314.473 2.927 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc12 ZINC000423524182 429108315 /nfs/dbraw/zinc/10/83/15/429108315.db2.gz SRORGAGOFCBIPR-CABCVRRESA-N 2 1 314.429 2.878 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)CC[C@@H]2CCCCO2)[C@@H]1c1cccnc1 ZINC000434743711 429108990 /nfs/dbraw/zinc/10/89/90/429108990.db2.gz RGBSPSYMZJYTJU-FHWLQOOXSA-N 2 1 317.477 2.965 20 0 DFADMP COc1ccsc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423524237 429109065 /nfs/dbraw/zinc/10/90/65/429109065.db2.gz WWAKXTNQALZPKM-WLYUNCDWSA-N 2 1 323.506 2.624 20 0 DFADMP Cc1ccccc1[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423524165 429109150 /nfs/dbraw/zinc/10/91/50/429109150.db2.gz SPMGSZICIALQPT-HKUYNNGSSA-N 2 1 301.478 2.720 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1C ZINC000424287472 429119122 /nfs/dbraw/zinc/11/91/22/429119122.db2.gz IVXUZLXQUDGYRD-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP COc1cccc(OCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424287084 429119812 /nfs/dbraw/zinc/11/98/12/429119812.db2.gz IKHGTRZQSXUORE-OAHLLOKOSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CCOCCOc1ccccc1)CC[NH2+]CC2 ZINC000424295988 429120668 /nfs/dbraw/zinc/12/06/68/429120668.db2.gz RUJCNMHEYASWOA-QGZVFWFLSA-N 2 1 318.461 2.546 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424292973 429121651 /nfs/dbraw/zinc/12/16/51/429121651.db2.gz PBXMTCHCSYSZNJ-HNNXBMFYSA-N 2 1 316.445 2.732 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424299937 429122919 /nfs/dbraw/zinc/12/29/19/429122919.db2.gz WGOLCNPSXRDZRH-MRXNPFEDSA-N 2 1 318.461 2.928 20 0 DFADMP Cc1ncc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)s1 ZINC000376494142 429123070 /nfs/dbraw/zinc/12/30/70/429123070.db2.gz YZCAOSZZNNCWCX-AWEZNQCLSA-N 2 1 317.462 2.617 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000376515587 429127542 /nfs/dbraw/zinc/12/75/42/429127542.db2.gz SFSACGUZJCVYBP-UHFFFAOYSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000376515587 429127545 /nfs/dbraw/zinc/12/75/45/429127545.db2.gz SFSACGUZJCVYBP-UHFFFAOYSA-N 2 1 310.482 2.916 20 0 DFADMP c1ccc(CN2CC[C@H]3C[N@H+](CC[C@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000424329386 429128014 /nfs/dbraw/zinc/12/80/14/429128014.db2.gz GHSCHHKSZLKJTC-YZGWKJHDSA-N 2 1 313.489 2.582 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435373169 429133358 /nfs/dbraw/zinc/13/33/58/429133358.db2.gz MKRYGXGTJMJUMO-KBXCAEBGSA-N 2 1 311.429 2.926 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000435373169 429133364 /nfs/dbraw/zinc/13/33/64/429133364.db2.gz MKRYGXGTJMJUMO-KBXCAEBGSA-N 2 1 311.429 2.926 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1cccnc1 ZINC000435370803 429133402 /nfs/dbraw/zinc/13/34/02/429133402.db2.gz KDHBKBBRBNGLRI-RDJZCZTQSA-N 2 1 311.429 2.830 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000435373224 429133632 /nfs/dbraw/zinc/13/36/32/429133632.db2.gz CYMUDYBCVILANL-WMLDXEAASA-N 2 1 311.429 2.926 20 0 DFADMP CC[N@@H+](Cc1ccc(OCCOC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435388918 429135460 /nfs/dbraw/zinc/13/54/60/429135460.db2.gz IBARIECUXYHSKO-QGZVFWFLSA-N 2 1 306.450 2.676 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000435377266 429137646 /nfs/dbraw/zinc/13/76/46/429137646.db2.gz ZSCIIXYJEXDTML-HNNXBMFYSA-N 2 1 311.429 2.799 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000435377266 429137650 /nfs/dbraw/zinc/13/76/50/429137650.db2.gz ZSCIIXYJEXDTML-HNNXBMFYSA-N 2 1 311.429 2.799 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376563 429137684 /nfs/dbraw/zinc/13/76/84/429137684.db2.gz RQKKVSFMKWVPAM-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000487195442 429141085 /nfs/dbraw/zinc/14/10/85/429141085.db2.gz CYSJYPVAGXJRNG-KBAYOESNSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000424433312 429141484 /nfs/dbraw/zinc/14/14/84/429141484.db2.gz DOIURGOXYKCPBZ-HUUCEWRRSA-N 2 1 318.465 2.838 20 0 DFADMP CSc1cc2c(cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1)OCCO2 ZINC000435439195 429142535 /nfs/dbraw/zinc/14/25/35/429142535.db2.gz TXGGLIQBEGWXRU-AWEZNQCLSA-N 2 1 322.474 2.754 20 0 DFADMP CSc1cc2c(cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1)OCCO2 ZINC000435439195 429142541 /nfs/dbraw/zinc/14/25/41/429142541.db2.gz TXGGLIQBEGWXRU-AWEZNQCLSA-N 2 1 322.474 2.754 20 0 DFADMP Cn1ccnc1C[N@@H+](CCC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435699227 429159881 /nfs/dbraw/zinc/15/98/81/429159881.db2.gz YWGXNYBYWRJKHF-KRWDZBQOSA-N 2 1 316.493 2.945 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)CC1 ZINC000494889140 429161050 /nfs/dbraw/zinc/16/10/50/429161050.db2.gz JTNYENJDFVYVIX-MBOZVWFJSA-N 2 1 315.505 2.958 20 0 DFADMP O=C1Nc2ccccc2CC[C@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277011006 275025650 /nfs/dbraw/zinc/02/56/50/275025650.db2.gz PRSUULVWHITYPR-MRXNPFEDSA-N 2 1 310.401 2.543 20 0 DFADMP Cc1cccc(NC2CC[NH+](C[C@H](O)CC(F)(F)F)CC2)[nH+]1 ZINC000364284671 429175602 /nfs/dbraw/zinc/17/56/02/429175602.db2.gz TWTGADYGKZZRCE-CYBMUJFWSA-N 2 1 317.355 2.580 20 0 DFADMP Brc1c[nH+]ccc1N1CCC([NH+]2CCCC2)CC1 ZINC000364171553 275377628 /nfs/dbraw/zinc/37/76/28/275377628.db2.gz IEPYSZAWLMHQQD-UHFFFAOYSA-N 2 1 310.239 2.909 20 0 DFADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000364608653 429232289 /nfs/dbraw/zinc/23/22/89/429232289.db2.gz RGVJWORULFJWCK-WBMJQRKESA-N 2 1 301.821 2.856 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000364438450 429203540 /nfs/dbraw/zinc/20/35/40/429203540.db2.gz AUUXEBZXAQJIMY-CGTJXYLNSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495393014 429205409 /nfs/dbraw/zinc/20/54/09/429205409.db2.gz JNHODAZMLJYGPQ-ZIAGYGMSSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495393014 429205413 /nfs/dbraw/zinc/20/54/13/429205413.db2.gz JNHODAZMLJYGPQ-ZIAGYGMSSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000495393014 429205416 /nfs/dbraw/zinc/20/54/16/429205416.db2.gz JNHODAZMLJYGPQ-ZIAGYGMSSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000495393014 429205418 /nfs/dbraw/zinc/20/54/18/429205418.db2.gz JNHODAZMLJYGPQ-ZIAGYGMSSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[C@@H](CNC(=[NH2+])N(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000364637556 429238351 /nfs/dbraw/zinc/23/83/51/429238351.db2.gz ZBPOVZGKROYQDJ-ZBFHGGJFSA-N 2 1 300.450 2.516 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2cccs2)n1 ZINC000442929596 429241094 /nfs/dbraw/zinc/24/10/94/429241094.db2.gz SBBGLWCUHQZSEO-ZDUSSCGKSA-N 2 1 304.463 2.709 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294702349 533689496 /nfs/dbraw/zinc/68/94/96/533689496.db2.gz BGKZTINGLANMEP-HZTRTUMWSA-N 2 1 301.434 2.619 20 0 DFADMP C[N@@H+](Cc1nc2ccc(F)cc2o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364709801 429253167 /nfs/dbraw/zinc/25/31/67/429253167.db2.gz PGSMBPGJEFTECH-GFCCVEGCSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](Cc1nc2ccc(F)cc2o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364709801 429253170 /nfs/dbraw/zinc/25/31/70/429253170.db2.gz PGSMBPGJEFTECH-GFCCVEGCSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](CCOc1ccc(F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364714310 429255015 /nfs/dbraw/zinc/25/50/15/429255015.db2.gz QOCXDIYGOVAODB-CQSZACIVSA-N 2 1 303.381 2.595 20 0 DFADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364714310 429255019 /nfs/dbraw/zinc/25/50/19/429255019.db2.gz QOCXDIYGOVAODB-CQSZACIVSA-N 2 1 303.381 2.595 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000495745418 429257104 /nfs/dbraw/zinc/25/71/04/429257104.db2.gz ALENDGOGJFXORC-MRXNPFEDSA-N 2 1 322.453 2.524 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1COC(=O)N(C)C ZINC000495745418 429257106 /nfs/dbraw/zinc/25/71/06/429257106.db2.gz ALENDGOGJFXORC-MRXNPFEDSA-N 2 1 322.453 2.524 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CCCN(c2ncccc2F)CC1 ZINC000364747324 429261764 /nfs/dbraw/zinc/26/17/64/429261764.db2.gz AHRNGDPYGAQHHZ-MRXNPFEDSA-N 2 1 320.456 2.607 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2ncccc2F)CC1 ZINC000364747324 429261765 /nfs/dbraw/zinc/26/17/65/429261765.db2.gz AHRNGDPYGAQHHZ-MRXNPFEDSA-N 2 1 320.456 2.607 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2ncccc2F)CC1 ZINC000364747324 429261768 /nfs/dbraw/zinc/26/17/68/429261768.db2.gz AHRNGDPYGAQHHZ-MRXNPFEDSA-N 2 1 320.456 2.607 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364747324 429261770 /nfs/dbraw/zinc/26/17/70/429261770.db2.gz AHRNGDPYGAQHHZ-MRXNPFEDSA-N 2 1 320.456 2.607 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364747324 429261774 /nfs/dbraw/zinc/26/17/74/429261774.db2.gz AHRNGDPYGAQHHZ-MRXNPFEDSA-N 2 1 320.456 2.607 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000364828093 429264811 /nfs/dbraw/zinc/26/48/11/429264811.db2.gz CWLNNAKVCOHTPT-ZBFHGGJFSA-N 2 1 302.466 2.663 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)ccc21 ZINC000456314414 429274089 /nfs/dbraw/zinc/27/40/89/429274089.db2.gz LSNRSQAWNVMHBH-MSOLQXFVSA-N 2 1 313.445 2.801 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)ccc21 ZINC000456314416 429274842 /nfs/dbraw/zinc/27/48/42/429274842.db2.gz LSNRSQAWNVMHBH-QZTJIDSGSA-N 2 1 313.445 2.801 20 0 DFADMP CC[NH+]1CCC([N@H+](CCCSCCOC)C2CC2)CC1 ZINC000365136431 429276494 /nfs/dbraw/zinc/27/64/94/429276494.db2.gz UKFOIPFYVKYRDN-UHFFFAOYSA-N 2 1 300.512 2.705 20 0 DFADMP CC[NH+]1CCC([N@@H+](CCCSCCOC)C2CC2)CC1 ZINC000365136431 429276498 /nfs/dbraw/zinc/27/64/98/429276498.db2.gz UKFOIPFYVKYRDN-UHFFFAOYSA-N 2 1 300.512 2.705 20 0 DFADMP COC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000365462941 429323895 /nfs/dbraw/zinc/32/38/95/429323895.db2.gz QMLXKYKUNVHYCX-SFHVURJKSA-N 2 1 324.509 2.770 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449076895 429325053 /nfs/dbraw/zinc/32/50/53/429325053.db2.gz UOQPQSVNHZBJDY-CQSZACIVSA-N 2 1 301.438 2.929 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000449106753 429333137 /nfs/dbraw/zinc/33/31/37/429333137.db2.gz JKFIUEQAMOGMSD-WMZOPIPTSA-N 2 1 317.477 2.545 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000449111556 429334296 /nfs/dbraw/zinc/33/42/96/429334296.db2.gz MYMXICHOCXWXDH-SJLPKXTDSA-N 2 1 317.477 2.766 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000449111556 429334301 /nfs/dbraw/zinc/33/43/01/429334301.db2.gz MYMXICHOCXWXDH-SJLPKXTDSA-N 2 1 317.477 2.766 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc2ccoc21 ZINC000449146014 429344564 /nfs/dbraw/zinc/34/45/64/429344564.db2.gz AZRDAIDCXJOMOL-QGZVFWFLSA-N 2 1 302.418 2.759 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495940006 429296394 /nfs/dbraw/zinc/29/63/94/429296394.db2.gz JEMWQNVDPWIAIY-HUUCEWRRSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495940006 429296398 /nfs/dbraw/zinc/29/63/98/429296398.db2.gz JEMWQNVDPWIAIY-HUUCEWRRSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000495940006 429296402 /nfs/dbraw/zinc/29/64/02/429296402.db2.gz JEMWQNVDPWIAIY-HUUCEWRRSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000495940006 429296406 /nfs/dbraw/zinc/29/64/06/429296406.db2.gz JEMWQNVDPWIAIY-HUUCEWRRSA-N 2 1 313.486 2.658 20 0 DFADMP O[C@@H](C[NH2+]Cc1ccc2c(c1)CCCC2)C[NH+]1CCCCC1 ZINC000490777381 429306311 /nfs/dbraw/zinc/30/63/11/429306311.db2.gz QIEVSGXNKLGEHF-IBGZPJMESA-N 2 1 302.462 2.502 20 0 DFADMP COC(=O)[C@@H](CC[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000425484877 429307839 /nfs/dbraw/zinc/30/78/39/429307839.db2.gz SWCBWSLUMGDOJO-ROUUACIJSA-N 2 1 318.461 2.749 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]3CN(CC[NH+]4CCCCC4)C[C@H]32)cc1 ZINC000425502904 429312337 /nfs/dbraw/zinc/31/23/37/429312337.db2.gz RDWBBQXBUMODAD-VQTJNVASSA-N 2 1 313.489 2.679 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449337667 429393179 /nfs/dbraw/zinc/39/31/79/429393179.db2.gz QQRXFOGSTLLTFS-YYIAUSFCSA-N 2 1 323.525 2.767 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000517734533 429395323 /nfs/dbraw/zinc/39/53/23/429395323.db2.gz YKRFAKCWTOMGMF-IBGZPJMESA-N 2 1 304.478 2.642 20 0 DFADMP C[C@H]([NH2+]CC1=CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449405440 429406317 /nfs/dbraw/zinc/40/63/17/429406317.db2.gz YMPRRBMTWLQGCC-QFBILLFUSA-N 2 1 300.446 2.833 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457118435 429406823 /nfs/dbraw/zinc/40/68/23/429406823.db2.gz MWXORQKRXUAKBA-QZTJIDSGSA-N 2 1 317.477 2.621 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457118435 429406827 /nfs/dbraw/zinc/40/68/27/429406827.db2.gz MWXORQKRXUAKBA-QZTJIDSGSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457118435 429406832 /nfs/dbraw/zinc/40/68/32/429406832.db2.gz MWXORQKRXUAKBA-QZTJIDSGSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457118435 429406837 /nfs/dbraw/zinc/40/68/37/429406837.db2.gz MWXORQKRXUAKBA-QZTJIDSGSA-N 2 1 317.477 2.621 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000449166386 429348724 /nfs/dbraw/zinc/34/87/24/429348724.db2.gz CNCNNQSODHYWPD-DAXOMENPSA-N 2 1 323.868 2.590 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000449166386 429348729 /nfs/dbraw/zinc/34/87/29/429348729.db2.gz CNCNNQSODHYWPD-DAXOMENPSA-N 2 1 323.868 2.590 20 0 DFADMP Cn1nccc1-c1ccccc1C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000507367313 429349338 /nfs/dbraw/zinc/34/93/38/429349338.db2.gz LBCSGSRVTHCMSM-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000507367313 429349342 /nfs/dbraw/zinc/34/93/42/429349342.db2.gz LBCSGSRVTHCMSM-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000507367313 429349347 /nfs/dbraw/zinc/34/93/47/429349347.db2.gz LBCSGSRVTHCMSM-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP C[N@@H+](CCO[C@H]1CCCCO1)C1CCN(c2ccccn2)CC1 ZINC000365622742 429351663 /nfs/dbraw/zinc/35/16/63/429351663.db2.gz CDVFHBCYJJSFQB-SFHVURJKSA-N 2 1 319.449 2.525 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC000425952308 429354986 /nfs/dbraw/zinc/35/49/86/429354986.db2.gz PAVNAMBISXEIFH-UKRRQHHQSA-N 2 1 304.425 2.758 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000365665256 429358310 /nfs/dbraw/zinc/35/83/10/429358310.db2.gz FHELSSZFIBMOPX-YTQUADARSA-N 2 1 305.510 2.691 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000426015104 429359663 /nfs/dbraw/zinc/35/96/63/429359663.db2.gz FIVCPOJKMZTRCP-OFLPRAFFSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000426015104 429359666 /nfs/dbraw/zinc/35/96/66/429359666.db2.gz FIVCPOJKMZTRCP-OFLPRAFFSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(=O)NCC2CC2)CC1 ZINC000449224370 429362325 /nfs/dbraw/zinc/36/23/25/429362325.db2.gz HMGIISJEBPCIMN-UHFFFAOYSA-N 2 1 323.525 2.781 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)[nH]c1C ZINC000449237445 429362881 /nfs/dbraw/zinc/36/28/81/429362881.db2.gz BNCPEAGEURWJSN-CQSZACIVSA-N 2 1 321.465 2.854 20 0 DFADMP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426052898 429363373 /nfs/dbraw/zinc/36/33/73/429363373.db2.gz ULUVABFTQQFMBC-HZSPNIEDSA-N 2 1 309.420 2.579 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)[nH]c1C ZINC000449241528 429366241 /nfs/dbraw/zinc/36/62/41/429366241.db2.gz BOHSYBVIGVXPMP-UHFFFAOYSA-N 2 1 321.465 2.711 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CCC=CO3)CC2)cs1 ZINC000365775732 429370592 /nfs/dbraw/zinc/37/05/92/429370592.db2.gz IXQCHWMQIBZIDI-QGZVFWFLSA-N 2 1 321.490 2.946 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000456980672 429371545 /nfs/dbraw/zinc/37/15/45/429371545.db2.gz DOKNVCILRPPYSF-IBGZPJMESA-N 2 1 323.440 2.535 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491594440 429378586 /nfs/dbraw/zinc/37/85/86/429378586.db2.gz QHEFWLSBKNLRGR-LLVKDONJSA-N 2 1 315.255 2.745 20 0 DFADMP C/C=C(\C=C\C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1)CC ZINC000366229695 429439042 /nfs/dbraw/zinc/43/90/42/429439042.db2.gz AYGQYAPVFXTSNI-RHPXNXFASA-N 2 1 319.493 2.526 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427290765 429441992 /nfs/dbraw/zinc/44/19/92/429441992.db2.gz WWDMDBMNNXHKGO-IAGOWNOFSA-N 2 1 309.498 2.537 20 0 DFADMP Cc1cccc2c1cc[nH+]c2NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000518969611 429442087 /nfs/dbraw/zinc/44/20/87/429442087.db2.gz PJGBZCFDYWDHAG-MRXNPFEDSA-N 2 1 313.445 3.456 20 0 DFADMP Cc1cccc2c1cc[nH+]c2NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000518969611 429442092 /nfs/dbraw/zinc/44/20/92/429442092.db2.gz PJGBZCFDYWDHAG-MRXNPFEDSA-N 2 1 313.445 3.456 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000518970744 429442345 /nfs/dbraw/zinc/44/23/45/429442345.db2.gz NTNJTVPDMRDIDZ-FGTMMUONSA-N 2 1 323.525 2.912 20 0 DFADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)O ZINC000449540814 429447403 /nfs/dbraw/zinc/44/74/03/429447403.db2.gz JVQXCXCFCAMZFR-BYUNMRKYSA-N 2 1 302.462 2.931 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000519110501 429448591 /nfs/dbraw/zinc/44/85/91/429448591.db2.gz AGVKMLNWJKMJGI-ZBFHGGJFSA-N 2 1 305.470 2.748 20 0 DFADMP CC1CCC(O)(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000366433296 429451057 /nfs/dbraw/zinc/45/10/57/429451057.db2.gz VYQAWJVFXUDSSY-UHFFFAOYSA-N 2 1 324.509 2.503 20 0 DFADMP Cc1ccncc1CCCN1CCCC[C@H]1CCS(C)(=O)=O ZINC000366531864 429470858 /nfs/dbraw/zinc/47/08/58/429470858.db2.gz AOSWOXACIOYEOH-KRWDZBQOSA-N 2 1 324.490 2.612 20 0 DFADMP C[C@H]([NH2+]CCC1(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449576862 429453168 /nfs/dbraw/zinc/45/31/68/429453168.db2.gz BUCSWNLLWXEAAB-FUHWJXTLSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(Cc3cnc([C@H]4CCCO4)s3)C2)C1 ZINC000366489140 429461014 /nfs/dbraw/zinc/46/10/14/429461014.db2.gz KIFCDQVGQTWPDT-GDBMZVCRSA-N 2 1 307.463 2.522 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCCC[N@H+]2CCCn2ccnc2)C1 ZINC000427052661 429428886 /nfs/dbraw/zinc/42/88/86/429428886.db2.gz GZTNHWQTFXVHEO-TVFCKZIOSA-N 2 1 305.466 2.925 20 0 DFADMP COc1ccc(Cl)cc1[C@H](C)NC[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366219626 429437076 /nfs/dbraw/zinc/43/70/76/429437076.db2.gz SBBVOOGUNXZWEG-QEJZJMRPSA-N 2 1 324.852 2.862 20 0 DFADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000366219626 429437080 /nfs/dbraw/zinc/43/70/80/429437080.db2.gz SBBVOOGUNXZWEG-QEJZJMRPSA-N 2 1 324.852 2.862 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000520799774 429529294 /nfs/dbraw/zinc/52/92/94/429529294.db2.gz VEXTVTXQTORRIU-QRTARXTBSA-N 2 1 308.853 2.631 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2cccc(Cl)c2)C1)C1CC1 ZINC000520799774 429529297 /nfs/dbraw/zinc/52/92/97/429529297.db2.gz VEXTVTXQTORRIU-QRTARXTBSA-N 2 1 308.853 2.631 20 0 DFADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866706 429529560 /nfs/dbraw/zinc/52/95/60/429529560.db2.gz RUDHPQPHYFVOPH-CALCHBBNSA-N 2 1 321.509 2.584 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428031453 429483917 /nfs/dbraw/zinc/48/39/17/429483917.db2.gz LQVBRPXBHCSFRK-IUODEOHRSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428031453 429483919 /nfs/dbraw/zinc/48/39/19/429483919.db2.gz LQVBRPXBHCSFRK-IUODEOHRSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428031583 429484455 /nfs/dbraw/zinc/48/44/55/429484455.db2.gz LQVBRPXBHCSFRK-WFASDCNBSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428031583 429484460 /nfs/dbraw/zinc/48/44/60/429484460.db2.gz LQVBRPXBHCSFRK-WFASDCNBSA-N 2 1 314.351 2.768 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)CSC)CC1)CC1CC1 ZINC000492192886 429485715 /nfs/dbraw/zinc/48/57/15/429485715.db2.gz KORCFFLHQHGQRQ-QGZVFWFLSA-N 2 1 314.539 2.544 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000449712621 429487766 /nfs/dbraw/zinc/48/77/66/429487766.db2.gz SQQCLAWVPBOBBS-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000449712621 429487768 /nfs/dbraw/zinc/48/77/68/429487768.db2.gz SQQCLAWVPBOBBS-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000449720010 429488754 /nfs/dbraw/zinc/48/87/54/429488754.db2.gz HZMBKYPNPHBQBU-FUHWJXTLSA-N 2 1 317.477 2.776 20 0 DFADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC000366668366 429491106 /nfs/dbraw/zinc/49/11/06/429491106.db2.gz WQWBJIQQGDQBJF-BLLLJJGKSA-N 2 1 301.821 2.856 20 0 DFADMP O[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCC1 ZINC000449740537 429493104 /nfs/dbraw/zinc/49/31/04/429493104.db2.gz POOGLDKDCQOEPQ-IBGZPJMESA-N 2 1 320.452 2.583 20 0 DFADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000449782687 429508688 /nfs/dbraw/zinc/50/86/88/429508688.db2.gz LSOACLRTHUMBBL-UHFFFAOYSA-N 2 1 321.431 2.867 20 0 DFADMP FC(F)Oc1ccccc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000366792825 429514071 /nfs/dbraw/zinc/51/40/71/429514071.db2.gz NRPDPQDHCGLUGY-LBPRGKRZSA-N 2 1 307.344 2.837 20 0 DFADMP Cc1cnc([C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000428386419 429515066 /nfs/dbraw/zinc/51/50/66/429515066.db2.gz DKROMDBRJMMTAU-DAYGRLMNSA-N 2 1 300.450 2.795 20 0 DFADMP C[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449837959 429521978 /nfs/dbraw/zinc/52/19/78/429521978.db2.gz YNNUFBXIMYUMAT-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1C[C@@H]1c1cccs1 ZINC000366955367 429547450 /nfs/dbraw/zinc/54/74/50/429547450.db2.gz ZYXGWJFLLGIEGV-GVRJEKJASA-N 2 1 306.475 2.693 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1C[C@@H]1c1cccs1 ZINC000366955367 429547454 /nfs/dbraw/zinc/54/74/54/429547454.db2.gz ZYXGWJFLLGIEGV-GVRJEKJASA-N 2 1 306.475 2.693 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000492508420 429554978 /nfs/dbraw/zinc/55/49/78/429554978.db2.gz KNHONLYDTBRCNL-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000492508420 429554982 /nfs/dbraw/zinc/55/49/82/429554982.db2.gz KNHONLYDTBRCNL-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000366999498 429555529 /nfs/dbraw/zinc/55/55/29/429555529.db2.gz WKUBFPUBLDWFRO-LJQANCHMSA-N 2 1 310.445 2.985 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000366999498 429555535 /nfs/dbraw/zinc/55/55/35/429555535.db2.gz WKUBFPUBLDWFRO-LJQANCHMSA-N 2 1 310.445 2.985 20 0 DFADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624741 429558876 /nfs/dbraw/zinc/55/88/76/429558876.db2.gz IVZOEVWHIRPRMS-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624741 429558881 /nfs/dbraw/zinc/55/88/81/429558881.db2.gz IVZOEVWHIRPRMS-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000492606924 429575886 /nfs/dbraw/zinc/57/58/86/429575886.db2.gz FVKPSICPXJAZQO-ZNMIVQPWSA-N 2 1 313.486 2.704 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000492606924 429575900 /nfs/dbraw/zinc/57/59/00/429575900.db2.gz FVKPSICPXJAZQO-ZNMIVQPWSA-N 2 1 313.486 2.704 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000492606924 429575903 /nfs/dbraw/zinc/57/59/03/429575903.db2.gz FVKPSICPXJAZQO-ZNMIVQPWSA-N 2 1 313.486 2.704 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@]1(CO)CCCc2ccccc21 ZINC000367098438 429577239 /nfs/dbraw/zinc/57/72/39/429577239.db2.gz GOFCPBBELXCHJN-LJQANCHMSA-N 2 1 313.445 2.785 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000429159609 429583626 /nfs/dbraw/zinc/58/36/26/429583626.db2.gz FRBWQCSFPHDOLX-BJJXKVORSA-N 2 1 323.868 2.529 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000366880939 429532515 /nfs/dbraw/zinc/53/25/15/429532515.db2.gz IXTDXFFTMOATGH-UHFFFAOYSA-N 2 1 319.424 2.572 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]C3CCC(C[NH3+])CC3)CCCC2)CC1 ZINC000521225697 429543075 /nfs/dbraw/zinc/54/30/75/429543075.db2.gz ZQWHCBGKJRFYSU-UHFFFAOYSA-N 3 1 323.525 2.517 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000366955386 429547155 /nfs/dbraw/zinc/54/71/55/429547155.db2.gz QEERWHFVGIPQRO-IBGZPJMESA-N 2 1 323.440 2.665 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000366955386 429547159 /nfs/dbraw/zinc/54/71/59/429547159.db2.gz QEERWHFVGIPQRO-IBGZPJMESA-N 2 1 323.440 2.665 20 0 DFADMP C[C@H](O)c1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000367303979 429616738 /nfs/dbraw/zinc/61/67/38/429616738.db2.gz YPOBXCPWQKBQMC-ZDUSSCGKSA-N 2 1 309.479 2.504 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450404196 429618086 /nfs/dbraw/zinc/61/80/86/429618086.db2.gz CIZFDEPJISFWED-CQSZACIVSA-N 2 1 304.425 2.591 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450404196 429618089 /nfs/dbraw/zinc/61/80/89/429618089.db2.gz CIZFDEPJISFWED-CQSZACIVSA-N 2 1 304.425 2.591 20 0 DFADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000492816126 429621033 /nfs/dbraw/zinc/62/10/33/429621033.db2.gz LDFCBJQUYJOXDY-CVYDXHPNSA-N 2 1 318.465 2.510 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000367337194 429623817 /nfs/dbraw/zinc/62/38/17/429623817.db2.gz YDMNYFJPQAYRKZ-HGKSCXNLSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000367337194 429623820 /nfs/dbraw/zinc/62/38/20/429623820.db2.gz YDMNYFJPQAYRKZ-HGKSCXNLSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000367337194 429623824 /nfs/dbraw/zinc/62/38/24/429623824.db2.gz YDMNYFJPQAYRKZ-HGKSCXNLSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000367337197 429624486 /nfs/dbraw/zinc/62/44/86/429624486.db2.gz YDMNYFJPQAYRKZ-PHXBYCTMSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000367337197 429624490 /nfs/dbraw/zinc/62/44/90/429624490.db2.gz YDMNYFJPQAYRKZ-PHXBYCTMSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000367337197 429624491 /nfs/dbraw/zinc/62/44/91/429624491.db2.gz YDMNYFJPQAYRKZ-PHXBYCTMSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450438097 429626196 /nfs/dbraw/zinc/62/61/96/429626196.db2.gz JWYDSTRZYDWBSN-NEWSRXKRSA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450461206 429631616 /nfs/dbraw/zinc/63/16/16/429631616.db2.gz VDIVKOMRZKWBAL-AOIWGVFYSA-N 2 1 304.478 2.815 20 0 DFADMP CC[N@H+](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000492861685 429633178 /nfs/dbraw/zinc/63/31/78/429633178.db2.gz AQBNQXUPVBDNQZ-UHFFFAOYSA-N 2 1 313.486 2.706 20 0 DFADMP CC[N@@H+](CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1)C(C)C ZINC000492861685 429633180 /nfs/dbraw/zinc/63/31/80/429633180.db2.gz AQBNQXUPVBDNQZ-UHFFFAOYSA-N 2 1 313.486 2.706 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000429809155 429634679 /nfs/dbraw/zinc/63/46/79/429634679.db2.gz QVFVDWKEIVPTJA-PBHICJAKSA-N 2 1 321.440 2.735 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000450469803 429635932 /nfs/dbraw/zinc/63/59/32/429635932.db2.gz HSASYHPFGWDVQQ-OALUTQOASA-N 2 1 313.445 2.914 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000450469803 429635935 /nfs/dbraw/zinc/63/59/35/429635935.db2.gz HSASYHPFGWDVQQ-OALUTQOASA-N 2 1 313.445 2.914 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000429999297 429642805 /nfs/dbraw/zinc/64/28/05/429642805.db2.gz BLWPFTPFEGYAIN-UHFFFAOYSA-N 2 1 316.367 2.642 20 0 DFADMP C[N@@H+](CCCn1ccnc1)[C@@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000492695689 429595558 /nfs/dbraw/zinc/59/55/58/429595558.db2.gz JCLZXGVSBZSSJT-HNNXBMFYSA-N 2 1 322.453 2.508 20 0 DFADMP C[N@@H+](CCCn1ccnc1)[C@H](CNC(=O)OC(C)(C)C)C1CC1 ZINC000492695690 429595738 /nfs/dbraw/zinc/59/57/38/429595738.db2.gz JCLZXGVSBZSSJT-OAHLLOKOSA-N 2 1 322.453 2.508 20 0 DFADMP CCC[C@@H](C(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1)[NH+](C)C ZINC000367197561 429596503 /nfs/dbraw/zinc/59/65/03/429596503.db2.gz TTYPGEOCCXGTQL-INIZCTEOSA-N 2 1 318.465 2.523 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429318580 429599875 /nfs/dbraw/zinc/59/98/75/429599875.db2.gz RNCSPCIGDMXQHK-KRWDZBQOSA-N 2 1 317.477 2.774 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245954826 275969971 /nfs/dbraw/zinc/96/99/71/275969971.db2.gz XDVGSOJGWMJJPP-RCCFBDPRSA-N 2 1 324.509 2.669 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1 ZINC000429405727 429607374 /nfs/dbraw/zinc/60/73/74/429607374.db2.gz LWRADGRMQDDSIA-HZPDHXFCSA-N 2 1 317.477 2.741 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000429460196 429609370 /nfs/dbraw/zinc/60/93/70/429609370.db2.gz XENYQWQLLOQGNC-OAOYMFHYSA-N 2 1 320.452 2.612 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3C[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000450387526 429614055 /nfs/dbraw/zinc/61/40/55/429614055.db2.gz JJEKZFPCSPXCTN-RTBURBONSA-N 2 1 311.429 2.707 20 0 DFADMP CC(C)(C)n1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cn1 ZINC000367472166 429655432 /nfs/dbraw/zinc/65/54/32/429655432.db2.gz FOMVICBVWDDZGH-ZACQAIPSSA-N 2 1 302.466 2.554 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000296768259 275997694 /nfs/dbraw/zinc/99/76/94/275997694.db2.gz FQONIFXMVKOHDF-UHFFFAOYSA-N 2 1 317.437 2.838 20 0 DFADMP C[N@H+](CC/C=C\c1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000450630912 429664554 /nfs/dbraw/zinc/66/45/54/429664554.db2.gz AJDFCASWGJPWSJ-WDZFZDKYSA-N 2 1 301.478 2.659 20 0 DFADMP CCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000262585225 276000865 /nfs/dbraw/zinc/00/08/65/276000865.db2.gz ZPOJEJHRFMIONS-CVEARBPZSA-N 2 1 303.450 2.725 20 0 DFADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000262585225 276000866 /nfs/dbraw/zinc/00/08/66/276000866.db2.gz ZPOJEJHRFMIONS-CVEARBPZSA-N 2 1 303.450 2.725 20 0 DFADMP CCOC1CC(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)C1 ZINC000367530622 429665676 /nfs/dbraw/zinc/66/56/76/429665676.db2.gz GXIBRASIJVQPDR-UIDNRLJLSA-N 2 1 317.477 2.821 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000236816955 276042845 /nfs/dbraw/zinc/04/28/45/276042845.db2.gz URJQHQIZXSFICQ-INIZCTEOSA-N 2 1 323.868 2.502 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000236816955 276042847 /nfs/dbraw/zinc/04/28/47/276042847.db2.gz URJQHQIZXSFICQ-INIZCTEOSA-N 2 1 323.868 2.502 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000450590052 429653944 /nfs/dbraw/zinc/65/39/44/429653944.db2.gz HTGUUKSVQQCDCA-JFRXWTBNSA-N 2 1 313.445 2.931 20 0 DFADMP COCCCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000367586631 429677394 /nfs/dbraw/zinc/67/73/94/429677394.db2.gz HVDBRSKQRHLFOA-AYHJJNSGSA-N 2 1 318.461 2.817 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367598208 429681225 /nfs/dbraw/zinc/68/12/25/429681225.db2.gz DDKBYJPJJXDZQQ-KZNAEPCWSA-N 2 1 301.434 2.607 20 0 DFADMP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4ccc(C)cc43)C2)CC1 ZINC000302142460 276202012 /nfs/dbraw/zinc/20/20/12/276202012.db2.gz FQLIKUJUTNKOMS-KRWDZBQOSA-N 2 1 324.472 2.759 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3cc(OC)ccc32)[C@H](C)C1 ZINC000372047956 276231534 /nfs/dbraw/zinc/23/15/34/276231534.db2.gz VZSANQKHWCSADK-COXVUDFISA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3cc(OC)ccc32)[C@H](C)C1 ZINC000372047956 276231536 /nfs/dbraw/zinc/23/15/36/276231536.db2.gz VZSANQKHWCSADK-COXVUDFISA-N 2 1 304.434 2.839 20 0 DFADMP CN1CCC([N@H+]2CC[C@@H](NC(=O)CCCCC(C)(C)C)C2)CC1 ZINC000367628491 429689816 /nfs/dbraw/zinc/68/98/16/429689816.db2.gz IAJJJNODSCZLIX-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+]1CCC(N2CC[C@@H](NC(=O)CCCCC(C)(C)C)C2)CC1 ZINC000367628491 429689821 /nfs/dbraw/zinc/68/98/21/429689821.db2.gz IAJJJNODSCZLIX-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367639288 429691448 /nfs/dbraw/zinc/69/14/48/429691448.db2.gz UTFFWAKWNHYVLE-SQNIBIBYSA-N 2 1 314.477 2.644 20 0 DFADMP CCN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047002 276298285 /nfs/dbraw/zinc/29/82/85/276298285.db2.gz KNYCDUDGIJDPEU-RDJZCZTQSA-N 2 1 317.477 2.798 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430593005 429698727 /nfs/dbraw/zinc/69/87/27/429698727.db2.gz OBWJQMAATVTLBY-JZXOWHBKSA-N 2 1 319.493 2.866 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430593005 429698730 /nfs/dbraw/zinc/69/87/30/429698730.db2.gz OBWJQMAATVTLBY-JZXOWHBKSA-N 2 1 319.493 2.866 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@@H](C)C1 ZINC000362011425 276315771 /nfs/dbraw/zinc/31/57/71/276315771.db2.gz DOWKVMPGITVFEL-JYJNAYRXSA-N 2 1 300.512 2.609 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCOC3(CCOCC3)CC2)cn1 ZINC000525992125 429693398 /nfs/dbraw/zinc/69/33/98/429693398.db2.gz TULPTMODKXGLRZ-UHFFFAOYSA-N 2 1 304.434 2.594 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000360955825 276331651 /nfs/dbraw/zinc/33/16/51/276331651.db2.gz DGSXFRIDNGQIAD-SQNIBIBYSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574468 429693589 /nfs/dbraw/zinc/69/35/89/429693589.db2.gz SKVHCVSQJBXBEP-LUKYLMHMSA-N 2 1 317.477 2.620 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430574468 429693593 /nfs/dbraw/zinc/69/35/93/429693593.db2.gz SKVHCVSQJBXBEP-LUKYLMHMSA-N 2 1 317.477 2.620 20 0 DFADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571649 429694919 /nfs/dbraw/zinc/69/49/19/429694919.db2.gz OOTBJVGHSHRBFY-CABCVRRESA-N 2 1 319.493 2.731 20 0 DFADMP CCc1ccc([C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571649 429694922 /nfs/dbraw/zinc/69/49/22/429694922.db2.gz OOTBJVGHSHRBFY-CABCVRRESA-N 2 1 319.493 2.731 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000104262123 276361728 /nfs/dbraw/zinc/36/17/28/276361728.db2.gz CXUBIUBGQFROIJ-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104262123 276361730 /nfs/dbraw/zinc/36/17/30/276361730.db2.gz CXUBIUBGQFROIJ-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104262123 276361731 /nfs/dbraw/zinc/36/17/31/276361731.db2.gz CXUBIUBGQFROIJ-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430614514 429700849 /nfs/dbraw/zinc/70/08/49/429700849.db2.gz YXIXZGNOQPTERA-KRWDZBQOSA-N 2 1 311.429 2.831 20 0 DFADMP CC(C)c1cc(NCCC[NH+]2CCC(C)CC2)nc(N(C)C)[nH+]1 ZINC000462925507 429706484 /nfs/dbraw/zinc/70/64/84/429706484.db2.gz HOWMUNFHDPZYHA-UHFFFAOYSA-N 2 1 319.497 3.200 20 0 DFADMP C[N@@H+](CCOC1CCC1)[C@H]1CCC[NH+](CCOC2CCC2)CC1 ZINC000367736166 429708692 /nfs/dbraw/zinc/70/86/92/429708692.db2.gz CQLBKJDEZIRLQO-KRWDZBQOSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CCOC1CCC1)[C@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000367736166 429708697 /nfs/dbraw/zinc/70/86/97/429708697.db2.gz CQLBKJDEZIRLQO-KRWDZBQOSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CCOC1CCC1)[C@H]1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000367736166 429708699 /nfs/dbraw/zinc/70/86/99/429708699.db2.gz CQLBKJDEZIRLQO-KRWDZBQOSA-N 2 1 324.509 2.911 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430739185 429713321 /nfs/dbraw/zinc/71/33/21/429713321.db2.gz MYJQMWHCZMYMKZ-MRXNPFEDSA-N 2 1 322.518 2.697 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430739185 429713325 /nfs/dbraw/zinc/71/33/25/429713325.db2.gz MYJQMWHCZMYMKZ-MRXNPFEDSA-N 2 1 322.518 2.697 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430948792 429726373 /nfs/dbraw/zinc/72/63/73/429726373.db2.gz LMZJUHVSVQJUIX-KRWDZBQOSA-N 2 1 323.440 2.980 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430948792 429726378 /nfs/dbraw/zinc/72/63/78/429726378.db2.gz LMZJUHVSVQJUIX-KRWDZBQOSA-N 2 1 323.440 2.980 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000430966074 429730689 /nfs/dbraw/zinc/73/06/89/429730689.db2.gz MFQROBMSHUTARF-LLVKDONJSA-N 2 1 308.376 2.991 20 0 DFADMP C[NH+]1CCC(N[C@H]2C[C@@H](C3CC3)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367893974 429738813 /nfs/dbraw/zinc/73/88/13/429738813.db2.gz AOKUDSYQTSXWOR-PMACEKPBSA-N 2 1 313.489 2.723 20 0 DFADMP CCC[N@@H+](CCCOc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000431081199 429740264 /nfs/dbraw/zinc/74/02/64/429740264.db2.gz OWAYLUHZGQOYKC-UHFFFAOYSA-N 2 1 306.450 2.928 20 0 DFADMP C[NH+](C)CCCN[C@@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000367909243 429742257 /nfs/dbraw/zinc/74/22/57/429742257.db2.gz FWLZCAJBTYYVJZ-RTBURBONSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C1)CCCC2 ZINC000432078720 429797786 /nfs/dbraw/zinc/79/77/86/429797786.db2.gz RHPKPFITLBIMMJ-DLBZAZTESA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C1)CCCC2 ZINC000432078720 429797789 /nfs/dbraw/zinc/79/77/89/429797789.db2.gz RHPKPFITLBIMMJ-DLBZAZTESA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@H+](CC[C@@H]3CCC[NH+]3C)C1)CCCC2 ZINC000432078720 429797793 /nfs/dbraw/zinc/79/77/93/429797793.db2.gz RHPKPFITLBIMMJ-DLBZAZTESA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C1)CCCC2 ZINC000432078722 429799187 /nfs/dbraw/zinc/79/91/87/429799187.db2.gz RHPKPFITLBIMMJ-IRXDYDNUSA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C1)CCCC2 ZINC000432078722 429799191 /nfs/dbraw/zinc/79/91/91/429799191.db2.gz RHPKPFITLBIMMJ-IRXDYDNUSA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@H+](CC[C@@H]3CCC[NH+]3C)C1)CCCC2 ZINC000432078722 429799195 /nfs/dbraw/zinc/79/91/95/429799195.db2.gz RHPKPFITLBIMMJ-IRXDYDNUSA-N 2 1 316.493 2.801 20 0 DFADMP Cn1cccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000367958642 429753067 /nfs/dbraw/zinc/75/30/67/429753067.db2.gz FBVVSOLMXAXDBJ-RBUKOAKNSA-N 2 1 309.457 2.979 20 0 DFADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967377 429755886 /nfs/dbraw/zinc/75/58/86/429755886.db2.gz UWOOXKBWBMLTCK-PMACEKPBSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967377 429755890 /nfs/dbraw/zinc/75/58/90/429755890.db2.gz UWOOXKBWBMLTCK-PMACEKPBSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967377 429755896 /nfs/dbraw/zinc/75/58/96/429755896.db2.gz UWOOXKBWBMLTCK-PMACEKPBSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967378 429756324 /nfs/dbraw/zinc/75/63/24/429756324.db2.gz UWOOXKBWBMLTCK-UXHICEINSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967378 429756327 /nfs/dbraw/zinc/75/63/27/429756327.db2.gz UWOOXKBWBMLTCK-UXHICEINSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4=CCCOC4)C[C@@H]3C2)cc1 ZINC000367967378 429756332 /nfs/dbraw/zinc/75/63/32/429756332.db2.gz UWOOXKBWBMLTCK-UXHICEINSA-N 2 1 312.457 2.787 20 0 DFADMP Cc1nc([C@@H]2CCC[N@@H+](CCCc3cnccc3C)C2)no1 ZINC000368014393 429766566 /nfs/dbraw/zinc/76/65/66/429766566.db2.gz FUWYSLDJFWMNPE-MRXNPFEDSA-N 2 1 300.406 2.894 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC1 ZINC000451096251 429768282 /nfs/dbraw/zinc/76/82/82/429768282.db2.gz MBSYMJGMGOVOJF-UHFFFAOYSA-N 2 1 320.330 2.951 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000431659799 429775044 /nfs/dbraw/zinc/77/50/44/429775044.db2.gz KVJZEPGZAUPMDP-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368071609 429779559 /nfs/dbraw/zinc/77/95/59/429779559.db2.gz NALCHHOETPWXCF-OAHLLOKOSA-N 2 1 321.465 2.747 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368071609 429779561 /nfs/dbraw/zinc/77/95/61/429779561.db2.gz NALCHHOETPWXCF-OAHLLOKOSA-N 2 1 321.465 2.747 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431745479 429780933 /nfs/dbraw/zinc/78/09/33/429780933.db2.gz QSQZPGYXOAJYJS-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC1CC[NH+](CCCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431746153 429781090 /nfs/dbraw/zinc/78/10/90/429781090.db2.gz TXUSIYNOLYKOTD-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431746887 429781605 /nfs/dbraw/zinc/78/16/05/429781605.db2.gz XEDBDYDUJJTULL-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431746887 429781609 /nfs/dbraw/zinc/78/16/09/429781609.db2.gz XEDBDYDUJJTULL-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431746887 429781611 /nfs/dbraw/zinc/78/16/11/429781611.db2.gz XEDBDYDUJJTULL-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431741295 429781657 /nfs/dbraw/zinc/78/16/57/429781657.db2.gz JKRNNHWOJWCUOO-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431741295 429781660 /nfs/dbraw/zinc/78/16/60/429781660.db2.gz JKRNNHWOJWCUOO-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431741295 429781664 /nfs/dbraw/zinc/78/16/64/429781664.db2.gz JKRNNHWOJWCUOO-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c(OC)c1 ZINC000368105168 429788567 /nfs/dbraw/zinc/78/85/67/429788567.db2.gz OUCSCUKVGBNOCH-NWDGAFQWSA-N 2 1 301.390 2.635 20 0 DFADMP COc1cccc([C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)OC)c1 ZINC000527920584 429821892 /nfs/dbraw/zinc/82/18/92/429821892.db2.gz NUYQJJVHNSBQSX-SFHVURJKSA-N 2 1 306.450 2.845 20 0 DFADMP CCn1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000432425663 429824255 /nfs/dbraw/zinc/82/42/55/429824255.db2.gz WKFJCIHCSUOYGI-GJZGRUSLSA-N 2 1 322.497 2.671 20 0 DFADMP CCn1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC000432425663 429824257 /nfs/dbraw/zinc/82/42/57/429824257.db2.gz WKFJCIHCSUOYGI-GJZGRUSLSA-N 2 1 322.497 2.671 20 0 DFADMP OC1CC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000528020158 429837702 /nfs/dbraw/zinc/83/77/02/429837702.db2.gz VWXMAWHMZXCOFX-PNIOZXJOSA-N 2 1 300.446 2.543 20 0 DFADMP OC1CC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000528019952 429837733 /nfs/dbraw/zinc/83/77/33/429837733.db2.gz VWXMAWHMZXCOFX-LHNANPHGSA-N 2 1 300.446 2.543 20 0 DFADMP Cc1cccc(CCC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000368401997 429843625 /nfs/dbraw/zinc/84/36/25/429843625.db2.gz IHKPEBOVXYCNBT-FQEVSTJZSA-N 2 1 315.505 2.639 20 0 DFADMP c1ccc(COC2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000493888957 429846402 /nfs/dbraw/zinc/84/64/02/429846402.db2.gz QTOREDBQUQSQIC-BTRQGYIVSA-N 2 1 300.446 2.951 20 0 DFADMP c1ccc(COC2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000493888957 429846406 /nfs/dbraw/zinc/84/64/06/429846406.db2.gz QTOREDBQUQSQIC-BTRQGYIVSA-N 2 1 300.446 2.951 20 0 DFADMP c1nc(NC[C@@H]2CC[N@H+]2C2CCCCC2)cc(N2CCCC2)n1 ZINC000528117450 429850270 /nfs/dbraw/zinc/85/02/70/429850270.db2.gz ZCCHNTBEYHLUJF-INIZCTEOSA-N 2 1 315.465 2.896 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2nnc3n2CCCCC3)CC1 ZINC000368571368 429869646 /nfs/dbraw/zinc/86/96/46/429869646.db2.gz APEWJLQXQXEPJZ-UHFFFAOYSA-N 2 1 319.497 2.558 20 0 DFADMP COC[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000368529509 429861266 /nfs/dbraw/zinc/86/12/66/429861266.db2.gz BZZILFUSDIMIJL-OALUTQOASA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@]1(CNC(=[NH2+])Nc2ccccn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368532450 429863503 /nfs/dbraw/zinc/86/35/03/429863503.db2.gz YUKCTBASEKNICU-IBGZPJMESA-N 2 1 323.444 2.930 20 0 DFADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](Cc1ccc(F)cc1)OC ZINC000528398542 429885386 /nfs/dbraw/zinc/88/53/86/429885386.db2.gz FLYWKFNRUYMDLP-QYZOEREBSA-N 2 1 320.452 2.942 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](Cc1ccc(F)cc1)OC ZINC000528398542 429885388 /nfs/dbraw/zinc/88/53/88/429885388.db2.gz FLYWKFNRUYMDLP-QYZOEREBSA-N 2 1 320.452 2.942 20 0 DFADMP Brc1ccccc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000368846350 429898322 /nfs/dbraw/zinc/89/83/22/429898322.db2.gz QCXHSINVQZZHQZ-LBPRGKRZSA-N 2 1 306.207 2.750 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC([NH+]3CCCC3)CC2)c1C ZINC000368944095 429903673 /nfs/dbraw/zinc/90/36/73/429903673.db2.gz PXVBWFBMBKOARC-UHFFFAOYSA-N 2 1 303.450 2.767 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000573140400 429928911 /nfs/dbraw/zinc/92/89/11/429928911.db2.gz MYZFKRXGOPOWOJ-CYBMUJFWSA-N 2 1 304.463 2.958 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000369142734 429915458 /nfs/dbraw/zinc/91/54/58/429915458.db2.gz JTSXFOSFBHPODP-OAGGEKHMSA-N 2 1 302.466 2.520 20 0 DFADMP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000369186892 429917835 /nfs/dbraw/zinc/91/78/35/429917835.db2.gz GCDOVHCYHSJNFJ-KZNAEPCWSA-N 2 1 302.466 2.689 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2cccn2C)CC1 ZINC000369206875 429919307 /nfs/dbraw/zinc/91/93/07/429919307.db2.gz WXRBYKCEDXEPHY-IBGZPJMESA-N 2 1 318.509 2.578 20 0 DFADMP C[C@H](C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1)NC(=O)OC(C)(C)C ZINC000494418802 429871272 /nfs/dbraw/zinc/87/12/72/429871272.db2.gz QXRUQZYYQPEWPQ-UONOGXRCSA-N 2 1 311.470 2.530 20 0 DFADMP CC(C)c1n[nH]c(CC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000639717023 429957624 /nfs/dbraw/zinc/95/76/24/429957624.db2.gz URNKXVDXMLIITO-MRXNPFEDSA-N 2 1 319.497 2.667 20 0 DFADMP C[NH+]1CCC2(CC[N@H+](Cc3ccc(Br)cn3)C2)CC1 ZINC000639757403 429970950 /nfs/dbraw/zinc/97/09/50/429970950.db2.gz KZFSBCHBJKAUBP-UHFFFAOYSA-N 2 1 324.266 2.762 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(Br)cn3)C2)CC1 ZINC000639757403 429970954 /nfs/dbraw/zinc/97/09/54/429970954.db2.gz KZFSBCHBJKAUBP-UHFFFAOYSA-N 2 1 324.266 2.762 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)CC1 ZINC000639756968 429970974 /nfs/dbraw/zinc/97/09/74/429970974.db2.gz BCCVASHEJXDPAO-UHFFFAOYSA-N 2 1 300.446 2.582 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757778 429971197 /nfs/dbraw/zinc/97/11/97/429971197.db2.gz PHLOTSGLCRMNQU-UHFFFAOYSA-N 2 1 315.461 2.741 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c(C)c1OC ZINC000558423524 429971389 /nfs/dbraw/zinc/97/13/89/429971389.db2.gz MGPGFIXQKYLENM-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)c(C)c1OC ZINC000558423524 429971395 /nfs/dbraw/zinc/97/13/95/429971395.db2.gz MGPGFIXQKYLENM-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1OC ZINC000558423524 429971400 /nfs/dbraw/zinc/97/14/00/429971400.db2.gz MGPGFIXQKYLENM-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP CO[C@H](C)c1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758588 429971743 /nfs/dbraw/zinc/97/17/43/429971743.db2.gz VPVHQWHTHYRGOP-CYBMUJFWSA-N 2 1 309.479 2.768 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758588 429971749 /nfs/dbraw/zinc/97/17/49/429971749.db2.gz VPVHQWHTHYRGOP-CYBMUJFWSA-N 2 1 309.479 2.768 20 0 DFADMP CC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000558500704 429975665 /nfs/dbraw/zinc/97/56/65/429975665.db2.gz JTUSYJUWPVWSFE-ZYSHUDEJSA-N 2 1 302.462 2.794 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2C(F)F)CC1 ZINC000558655995 429983257 /nfs/dbraw/zinc/98/32/57/429983257.db2.gz OTEDLVXZGNYYDZ-UHFFFAOYSA-N 2 1 314.424 2.910 20 0 DFADMP C[C@H]1C[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)CCC1(F)F ZINC000639646885 429929982 /nfs/dbraw/zinc/92/99/82/429929982.db2.gz VIBUXIXXOMFEFG-DOTOQJQBSA-N 2 1 324.415 2.601 20 0 DFADMP C[C@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639646885 429929987 /nfs/dbraw/zinc/92/99/87/429929987.db2.gz VIBUXIXXOMFEFG-DOTOQJQBSA-N 2 1 324.415 2.601 20 0 DFADMP C[C@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639646885 429929990 /nfs/dbraw/zinc/92/99/90/429929990.db2.gz VIBUXIXXOMFEFG-DOTOQJQBSA-N 2 1 324.415 2.601 20 0 DFADMP Cc1ccccc1NC(=O)C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682210 429944446 /nfs/dbraw/zinc/94/44/46/429944446.db2.gz NAGBXIGMFBUMHO-UHFFFAOYSA-N 2 1 324.428 2.541 20 0 DFADMP Cc1ccccc1NC(=O)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682210 429944448 /nfs/dbraw/zinc/94/44/48/429944448.db2.gz NAGBXIGMFBUMHO-UHFFFAOYSA-N 2 1 324.428 2.541 20 0 DFADMP Clc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277509 430028194 /nfs/dbraw/zinc/02/81/94/430028194.db2.gz KZJPBVCWFIVVQT-KBPBESRZSA-N 2 1 322.836 2.890 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000574410895 430040036 /nfs/dbraw/zinc/04/00/36/430040036.db2.gz XQPNYLBGGUWMAH-AAEUAGOBSA-N 2 1 302.340 2.896 20 0 DFADMP CC1([NH+]2CCCC2)CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000639981855 430043076 /nfs/dbraw/zinc/04/30/76/430043076.db2.gz UYARIYGHTQCFKJ-UHFFFAOYSA-N 2 1 315.461 2.966 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000639986771 430046414 /nfs/dbraw/zinc/04/64/14/430046414.db2.gz RLFLAAPUPSDYHW-LJQANCHMSA-N 2 1 316.489 2.930 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000639988450 430046984 /nfs/dbraw/zinc/04/69/84/430046984.db2.gz RTEIHIFJVWAQHL-MRXNPFEDSA-N 2 1 312.498 2.503 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)c1ccco1 ZINC000560097507 430021541 /nfs/dbraw/zinc/02/15/41/430021541.db2.gz NGNDCXCAUVIXHC-HNNXBMFYSA-N 2 1 321.465 2.511 20 0 DFADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC(F)(F)C1 ZINC000529536921 430024132 /nfs/dbraw/zinc/02/41/32/430024132.db2.gz AKCPHUOLCHJSSH-CYBMUJFWSA-N 2 1 302.409 2.655 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529537131 430024495 /nfs/dbraw/zinc/02/44/95/430024495.db2.gz PMZVVCKUMTVQKS-QRQLOZEOSA-N 2 1 313.445 2.851 20 0 DFADMP C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000574268939 430026662 /nfs/dbraw/zinc/02/66/62/430026662.db2.gz KCTUWRYCKCERMZ-VQIMIIECSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732853 430092413 /nfs/dbraw/zinc/09/24/13/430092413.db2.gz QIEKQEYSSMIARJ-BHIYHBOVSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732853 430092419 /nfs/dbraw/zinc/09/24/19/430092419.db2.gz QIEKQEYSSMIARJ-BHIYHBOVSA-N 2 1 315.505 2.875 20 0 DFADMP CCn1c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)nc2ccccc21 ZINC000634732716 430093313 /nfs/dbraw/zinc/09/33/13/430093313.db2.gz MYQPXEFPEYJRBM-AWEZNQCLSA-N 2 1 300.450 2.924 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000640017354 430056481 /nfs/dbraw/zinc/05/64/81/430056481.db2.gz FBKDEJAVEYIFBH-UHFFFAOYSA-N 2 1 321.440 2.961 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]1C ZINC000640019825 430058887 /nfs/dbraw/zinc/05/88/87/430058887.db2.gz BJTPFCWLEACKGH-RFGFWPKPSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]1C ZINC000640019825 430058891 /nfs/dbraw/zinc/05/88/91/430058891.db2.gz BJTPFCWLEACKGH-RFGFWPKPSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]1C ZINC000640019825 430058893 /nfs/dbraw/zinc/05/88/93/430058893.db2.gz BJTPFCWLEACKGH-RFGFWPKPSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@@H]1C ZINC000640019825 430058897 /nfs/dbraw/zinc/05/88/97/430058897.db2.gz BJTPFCWLEACKGH-RFGFWPKPSA-N 2 1 310.404 2.739 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccc([C@H]2C[C@H]2C)o1)C1CC1 ZINC000580840999 430156414 /nfs/dbraw/zinc/15/64/14/430156414.db2.gz GEAADRJCOAVRLL-KMFMINBZSA-N 2 1 306.450 2.680 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCC2CCCCC2)C[C@@H]1C ZINC000580983126 430167671 /nfs/dbraw/zinc/16/76/71/430167671.db2.gz UNJUANFRISNYLI-WMZOPIPTSA-N 2 1 323.525 2.878 20 0 DFADMP CCN1CCC([N@@H+](C)CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000539721092 430178861 /nfs/dbraw/zinc/17/88/61/430178861.db2.gz MRVAUJJNOVAWLO-UHFFFAOYSA-N 2 1 316.449 2.548 20 0 DFADMP CC[NH+]1CCC(N(C)CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000539721092 430178865 /nfs/dbraw/zinc/17/88/65/430178865.db2.gz MRVAUJJNOVAWLO-UHFFFAOYSA-N 2 1 316.449 2.548 20 0 DFADMP Clc1ccc(C[N@H+]2CCCN(CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000634991850 430185108 /nfs/dbraw/zinc/18/51/08/430185108.db2.gz UKWSTHQJSWIOGI-UHFFFAOYSA-N 2 1 319.880 2.600 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000368079523 277083565 /nfs/dbraw/zinc/08/35/65/277083565.db2.gz RMZSYAMEKZGAQT-KKXDTOCCSA-N 2 1 301.434 2.922 20 0 DFADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000635005166 430194610 /nfs/dbraw/zinc/19/46/10/430194610.db2.gz RXNQACCTIKFPDT-LFGUQSLTSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000635005166 430194614 /nfs/dbraw/zinc/19/46/14/430194614.db2.gz RXNQACCTIKFPDT-LFGUQSLTSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000635005166 430194619 /nfs/dbraw/zinc/19/46/19/430194619.db2.gz RXNQACCTIKFPDT-LFGUQSLTSA-N 3 1 315.505 2.732 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999162 430189185 /nfs/dbraw/zinc/18/91/85/430189185.db2.gz QUKWPTMCBLZQCN-KSSFIOAISA-N 2 1 311.429 2.784 20 0 DFADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000635000316 430189640 /nfs/dbraw/zinc/18/96/40/430189640.db2.gz LTLKXZVYHKGRLI-ZDUSSCGKSA-N 2 1 319.478 2.543 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000634999222 430190036 /nfs/dbraw/zinc/19/00/36/430190036.db2.gz RIMCCVDUKFHTLS-YPMHNXCESA-N 2 1 312.841 2.774 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000634999222 430190041 /nfs/dbraw/zinc/19/00/41/430190041.db2.gz RIMCCVDUKFHTLS-YPMHNXCESA-N 2 1 312.841 2.774 20 0 DFADMP CCC[C@@H](C[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635000246 430190332 /nfs/dbraw/zinc/19/03/32/430190332.db2.gz KCUKAYHQGYWTSE-WMZOPIPTSA-N 2 1 313.449 2.568 20 0 DFADMP CNC(=O)c1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000640531207 430191515 /nfs/dbraw/zinc/19/15/15/430191515.db2.gz LPYNQRJZQBHMSO-UHFFFAOYSA-N 2 1 317.477 2.744 20 0 DFADMP CN(C)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cn1 ZINC000640534184 430193174 /nfs/dbraw/zinc/19/31/74/430193174.db2.gz MYDROFZKDIXHBS-UHFFFAOYSA-N 2 1 304.482 2.846 20 0 DFADMP C[N@@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]cc2Br)C1 ZINC000281226571 277183321 /nfs/dbraw/zinc/18/33/21/277183321.db2.gz OUTOJJMCUMTDOV-YPMHNXCESA-N 2 1 310.239 2.765 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCCN2c2cc[nH+]cc2Br)C1 ZINC000281226571 277183322 /nfs/dbraw/zinc/18/33/22/277183322.db2.gz OUTOJJMCUMTDOV-YPMHNXCESA-N 2 1 310.239 2.765 20 0 DFADMP C[C@@H](Cc1ccsc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000542159397 430202593 /nfs/dbraw/zinc/20/25/93/430202593.db2.gz CXVBIWRMLZFCRR-FUHWJXTLSA-N 2 1 321.534 2.781 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635011651 430195659 /nfs/dbraw/zinc/19/56/59/430195659.db2.gz GCBZIFJJCQMJTK-YTQUADARSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635011651 430195664 /nfs/dbraw/zinc/19/56/64/430195664.db2.gz GCBZIFJJCQMJTK-YTQUADARSA-N 2 1 301.478 2.547 20 0 DFADMP [NH3+][C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000635008158 430196028 /nfs/dbraw/zinc/19/60/28/430196028.db2.gz QWBZARKLTQDMCX-FUMNGEBKSA-N 3 1 315.505 2.847 20 0 DFADMP C[C@@H](N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000635020902 430197813 /nfs/dbraw/zinc/19/78/13/430197813.db2.gz NNATWJAHBZKDKC-APWZRJJASA-N 2 1 301.478 2.629 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000635013689 430198181 /nfs/dbraw/zinc/19/81/81/430198181.db2.gz VCKWLSNCPAEJGK-QYZOEREBSA-N 2 1 301.478 2.676 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000635013689 430198184 /nfs/dbraw/zinc/19/81/84/430198184.db2.gz VCKWLSNCPAEJGK-QYZOEREBSA-N 2 1 301.478 2.676 20 0 DFADMP C[C@@H](N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000635020908 430198708 /nfs/dbraw/zinc/19/87/08/430198708.db2.gz NNATWJAHBZKDKC-VQIMIIECSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)N(C)C ZINC000581409994 430205376 /nfs/dbraw/zinc/20/53/76/430205376.db2.gz SBTAQKXPLNGDPR-CQSZACIVSA-N 2 1 311.514 2.732 20 0 DFADMP COc1cccc(C)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000638046793 430219714 /nfs/dbraw/zinc/21/97/14/430219714.db2.gz WVCOAFWHBGRINK-MRXNPFEDSA-N 2 1 320.477 2.528 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638064470 430224225 /nfs/dbraw/zinc/22/42/25/430224225.db2.gz UIXZIZVSTCFXPI-OAHLLOKOSA-N 2 1 315.461 2.999 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1OC ZINC000157400156 277388862 /nfs/dbraw/zinc/38/88/62/277388862.db2.gz VYSLPPZDHGKHCX-YDHLFZDLSA-N 2 1 322.449 2.846 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1OC ZINC000157400156 277388864 /nfs/dbraw/zinc/38/88/64/277388864.db2.gz VYSLPPZDHGKHCX-YDHLFZDLSA-N 2 1 322.449 2.846 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000638116172 430242056 /nfs/dbraw/zinc/24/20/56/430242056.db2.gz HKUPFUCCDZWMTJ-LMMKCTJWSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000638116172 430242059 /nfs/dbraw/zinc/24/20/59/430242059.db2.gz HKUPFUCCDZWMTJ-LMMKCTJWSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC[NH+]1C ZINC000638116172 430242060 /nfs/dbraw/zinc/24/20/60/430242060.db2.gz HKUPFUCCDZWMTJ-LMMKCTJWSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC[NH+]1C ZINC000638116172 430242063 /nfs/dbraw/zinc/24/20/63/430242063.db2.gz HKUPFUCCDZWMTJ-LMMKCTJWSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000638116173 430242440 /nfs/dbraw/zinc/24/24/40/430242440.db2.gz HKUPFUCCDZWMTJ-ZHALLVOQSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000638116173 430242444 /nfs/dbraw/zinc/24/24/44/430242444.db2.gz HKUPFUCCDZWMTJ-ZHALLVOQSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC[NH+]1C ZINC000638116173 430242446 /nfs/dbraw/zinc/24/24/46/430242446.db2.gz HKUPFUCCDZWMTJ-ZHALLVOQSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC[NH+]1C ZINC000638116173 430242450 /nfs/dbraw/zinc/24/24/50/430242450.db2.gz HKUPFUCCDZWMTJ-ZHALLVOQSA-N 2 1 301.478 2.927 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000566205855 430247181 /nfs/dbraw/zinc/24/71/81/430247181.db2.gz FCVBYFPJHPISKL-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133948 430248535 /nfs/dbraw/zinc/24/85/35/430248535.db2.gz LTDZBZNCGSHYJO-ROUUACIJSA-N 2 1 301.478 2.787 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133948 430248540 /nfs/dbraw/zinc/24/85/40/430248540.db2.gz LTDZBZNCGSHYJO-ROUUACIJSA-N 2 1 301.478 2.787 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133948 430248548 /nfs/dbraw/zinc/24/85/48/430248548.db2.gz LTDZBZNCGSHYJO-ROUUACIJSA-N 2 1 301.478 2.787 20 0 DFADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000566230257 430250010 /nfs/dbraw/zinc/25/00/10/430250010.db2.gz VTANGSAQAMFFHJ-RTBURBONSA-N 2 1 322.456 2.965 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000635342893 430257682 /nfs/dbraw/zinc/25/76/82/430257682.db2.gz QRMAHCFXRPHXBL-UHFFFAOYSA-N 2 1 320.481 2.635 20 0 DFADMP Nc1c(F)cccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638180931 430265000 /nfs/dbraw/zinc/26/50/00/430265000.db2.gz LIUCMKMDFLLTTI-DYVFJYSZSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638180931 430265005 /nfs/dbraw/zinc/26/50/05/430265005.db2.gz LIUCMKMDFLLTTI-DYVFJYSZSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638180931 430265009 /nfs/dbraw/zinc/26/50/09/430265009.db2.gz LIUCMKMDFLLTTI-DYVFJYSZSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638180931 430265013 /nfs/dbraw/zinc/26/50/13/430265013.db2.gz LIUCMKMDFLLTTI-DYVFJYSZSA-N 2 1 303.425 2.857 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000566482473 430265739 /nfs/dbraw/zinc/26/57/39/430265739.db2.gz NWGLIAREMNIDIB-GBESFXJTSA-N 2 1 301.478 2.757 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000566482473 430265742 /nfs/dbraw/zinc/26/57/42/430265742.db2.gz NWGLIAREMNIDIB-GBESFXJTSA-N 2 1 301.478 2.757 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635399007 430267554 /nfs/dbraw/zinc/26/75/54/430267554.db2.gz DBFWSRHOZMBJFU-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP [NH3+]C[C@@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)C1CCCCC1 ZINC000582112988 430269251 /nfs/dbraw/zinc/26/92/51/430269251.db2.gz ODZHWDMFUNTJFJ-MRXNPFEDSA-N 2 1 316.449 2.629 20 0 DFADMP C[NH2+][C@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000582132214 430271199 /nfs/dbraw/zinc/27/11/99/430271199.db2.gz FATHLKIOBYKSKA-CQSZACIVSA-N 2 1 303.450 2.998 20 0 DFADMP CC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000638079618 430229203 /nfs/dbraw/zinc/22/92/03/430229203.db2.gz PASJAOLPKUOSCI-JFIYKMOQSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1 ZINC000581733943 430236685 /nfs/dbraw/zinc/23/66/85/430236685.db2.gz QUSDOZXPQKIZMA-MOPGFXCFSA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000581733943 430236689 /nfs/dbraw/zinc/23/66/89/430236689.db2.gz QUSDOZXPQKIZMA-MOPGFXCFSA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000581733943 430236692 /nfs/dbraw/zinc/23/66/92/430236692.db2.gz QUSDOZXPQKIZMA-MOPGFXCFSA-N 2 1 304.478 2.786 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000581735433 430237458 /nfs/dbraw/zinc/23/74/58/430237458.db2.gz QEBJUNJXUIMDKU-BLLLJJGKSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000581735433 430237461 /nfs/dbraw/zinc/23/74/61/430237461.db2.gz QEBJUNJXUIMDKU-BLLLJJGKSA-N 2 1 323.868 2.542 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccn(C(F)F)c1=O ZINC000638116849 430241332 /nfs/dbraw/zinc/24/13/32/430241332.db2.gz HGRSGLHPQOWTSX-AWEZNQCLSA-N 2 1 313.392 2.550 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccn(C(F)F)c1=O ZINC000638116849 430241339 /nfs/dbraw/zinc/24/13/39/430241339.db2.gz HGRSGLHPQOWTSX-AWEZNQCLSA-N 2 1 313.392 2.550 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccn(C(F)F)c1=O ZINC000638116849 430241342 /nfs/dbraw/zinc/24/13/42/430241342.db2.gz HGRSGLHPQOWTSX-AWEZNQCLSA-N 2 1 313.392 2.550 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccn(C(F)F)c1=O ZINC000638116849 430241346 /nfs/dbraw/zinc/24/13/46/430241346.db2.gz HGRSGLHPQOWTSX-AWEZNQCLSA-N 2 1 313.392 2.550 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000567802048 430290234 /nfs/dbraw/zinc/29/02/34/430290234.db2.gz REEXJIGTTFKAKH-SOLBZPMBSA-N 2 1 317.477 2.846 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638302681 430298361 /nfs/dbraw/zinc/29/83/61/430298361.db2.gz KWOYSOWWCRLULH-XMTFNYHQSA-N 2 1 310.482 2.567 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]CC2CCSCC2)c1 ZINC000638305163 430299304 /nfs/dbraw/zinc/29/93/04/430299304.db2.gz QGTKFSVIAOUBKF-UHFFFAOYSA-N 2 1 320.502 2.752 20 0 DFADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccc(Cl)c1 ZINC000582486164 430304825 /nfs/dbraw/zinc/30/48/25/430304825.db2.gz GZXUJCFFPIFBHP-KRWDZBQOSA-N 2 1 321.852 2.744 20 0 DFADMP CCC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000545309315 430315362 /nfs/dbraw/zinc/31/53/62/430315362.db2.gz PQDISBFGYCGIPB-UHFFFAOYSA-N 2 1 323.525 2.974 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605711 430316154 /nfs/dbraw/zinc/31/61/54/430316154.db2.gz PLSTYVQJUCKKKP-GOSISDBHSA-N 2 1 313.489 2.867 20 0 DFADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000638365572 430319002 /nfs/dbraw/zinc/31/90/02/430319002.db2.gz GBBDADOZVYTKBS-SJLPKXTDSA-N 2 1 312.498 2.672 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000568177760 430324178 /nfs/dbraw/zinc/32/41/78/430324178.db2.gz NZNHRAISFGFYEQ-RDTXWAMCSA-N 2 1 314.433 2.701 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000568176967 430325250 /nfs/dbraw/zinc/32/52/50/430325250.db2.gz JTPOYIHPIKVIMV-KSZLIROESA-N 2 1 305.466 2.758 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000568176967 430325252 /nfs/dbraw/zinc/32/52/52/430325252.db2.gz JTPOYIHPIKVIMV-KSZLIROESA-N 2 1 305.466 2.758 20 0 DFADMP COc1cc(C[NH2+]CCCn2cc[nH+]c2C)c(Cl)cc1O ZINC000638386455 430325302 /nfs/dbraw/zinc/32/53/02/430325302.db2.gz MNNPWKAUAYIABE-UHFFFAOYSA-N 2 1 309.797 2.739 20 0 DFADMP CCN(Cc1ccc2ccccc2c1)C[C@@H](O)C[N@@H+](C)CC ZINC000568168303 430325317 /nfs/dbraw/zinc/32/53/17/430325317.db2.gz CXTKZLSGPCHRHB-IBGZPJMESA-N 2 1 300.446 2.974 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000568168303 430325319 /nfs/dbraw/zinc/32/53/19/430325319.db2.gz CXTKZLSGPCHRHB-IBGZPJMESA-N 2 1 300.446 2.974 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000568168303 430325323 /nfs/dbraw/zinc/32/53/23/430325323.db2.gz CXTKZLSGPCHRHB-IBGZPJMESA-N 2 1 300.446 2.974 20 0 DFADMP CC[NH+](Cc1ccc2ccccc2c1)C[C@@H](O)C[N@@H+](C)CC ZINC000568168303 430325328 /nfs/dbraw/zinc/32/53/28/430325328.db2.gz CXTKZLSGPCHRHB-IBGZPJMESA-N 2 1 300.446 2.974 20 0 DFADMP CC[NH+](Cc1ccc2ccccc2c1)C[C@@H](O)C[N@H+](C)CC ZINC000568168303 430325332 /nfs/dbraw/zinc/32/53/32/430325332.db2.gz CXTKZLSGPCHRHB-IBGZPJMESA-N 2 1 300.446 2.974 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000568168303 430325338 /nfs/dbraw/zinc/32/53/38/430325338.db2.gz CXTKZLSGPCHRHB-IBGZPJMESA-N 2 1 300.446 2.974 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000568168303 430325339 /nfs/dbraw/zinc/32/53/39/430325339.db2.gz CXTKZLSGPCHRHB-IBGZPJMESA-N 2 1 300.446 2.974 20 0 DFADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638398439 430330025 /nfs/dbraw/zinc/33/00/25/430330025.db2.gz ZIYQZHNUHRGMSQ-ICSRJNTNSA-N 2 1 324.472 2.920 20 0 DFADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638398439 430330030 /nfs/dbraw/zinc/33/00/30/430330030.db2.gz ZIYQZHNUHRGMSQ-ICSRJNTNSA-N 2 1 324.472 2.920 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000638409387 430334354 /nfs/dbraw/zinc/33/43/54/430334354.db2.gz KZKLFCKRLQUPTI-OAGGEKHMSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000638409387 430334357 /nfs/dbraw/zinc/33/43/57/430334357.db2.gz KZKLFCKRLQUPTI-OAGGEKHMSA-N 2 1 309.498 2.534 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCCC23CC3)CC[N@H+](Cc2ccccc2)C1 ZINC000568274629 430342522 /nfs/dbraw/zinc/34/25/22/430342522.db2.gz FBZKFNIUNGJZOI-MJGOQNOKSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCCC23CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000568274629 430342525 /nfs/dbraw/zinc/34/25/25/430342525.db2.gz FBZKFNIUNGJZOI-MJGOQNOKSA-N 2 1 300.446 2.546 20 0 DFADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546015799 430342504 /nfs/dbraw/zinc/34/25/04/430342504.db2.gz WUMZCIVHFLOLCJ-INIZCTEOSA-N 2 1 311.514 2.734 20 0 DFADMP CCc1ccc(CC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000568289108 430343560 /nfs/dbraw/zinc/34/35/60/430343560.db2.gz ACGHMNISGGXLPM-UHFFFAOYSA-N 2 1 304.478 2.616 20 0 DFADMP CO[C@@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000638701026 430411968 /nfs/dbraw/zinc/41/19/68/430411968.db2.gz NDBMVZPHPWPLRU-XVLXNVKGSA-N 2 1 302.462 2.849 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](CC(C)C)n1ccnc1 ZINC000635937403 430415812 /nfs/dbraw/zinc/41/58/12/430415812.db2.gz GGWJWIWHATYBOJ-JKSUJKDBSA-N 2 1 308.470 2.707 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583078916 430361782 /nfs/dbraw/zinc/36/17/82/430361782.db2.gz ZNPRJJMZTRDBLI-UKBAYJJMSA-N 3 1 319.468 2.626 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638522090 430367659 /nfs/dbraw/zinc/36/76/59/430367659.db2.gz XAVLUODCPKGBTJ-MOPGFXCFSA-N 2 1 302.462 2.710 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ns2)[C@H](C)C1 ZINC000638595464 430383631 /nfs/dbraw/zinc/38/36/31/430383631.db2.gz SYNZXSSOQUWSEY-CZUORRHYSA-N 2 1 311.495 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ns2)[C@H](C)C1 ZINC000638595464 430383632 /nfs/dbraw/zinc/38/36/32/430383632.db2.gz SYNZXSSOQUWSEY-CZUORRHYSA-N 2 1 311.495 2.678 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547429976 430392203 /nfs/dbraw/zinc/39/22/03/430392203.db2.gz SQZLKZOYWLUNGW-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547429976 430392209 /nfs/dbraw/zinc/39/22/09/430392209.db2.gz SQZLKZOYWLUNGW-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547429976 430392213 /nfs/dbraw/zinc/39/22/13/430392213.db2.gz SQZLKZOYWLUNGW-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000638644033 430399410 /nfs/dbraw/zinc/39/94/10/430399410.db2.gz NXQIGDKUVXFBTH-YJBOKZPZSA-N 2 1 317.477 2.789 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2cccs2)n1 ZINC000568984129 430411407 /nfs/dbraw/zinc/41/14/07/430411407.db2.gz PWWZQOIQLFECOU-QGZVFWFLSA-N 2 1 316.474 2.724 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2cccs2)n1 ZINC000568984129 430411409 /nfs/dbraw/zinc/41/14/09/430411409.db2.gz PWWZQOIQLFECOU-QGZVFWFLSA-N 2 1 316.474 2.724 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638790430 430435354 /nfs/dbraw/zinc/43/53/54/430435354.db2.gz LMCZURSRVXKWOY-AEFFLSMTSA-N 2 1 302.462 2.963 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638790430 430435360 /nfs/dbraw/zinc/43/53/60/430435360.db2.gz LMCZURSRVXKWOY-AEFFLSMTSA-N 2 1 302.462 2.963 20 0 DFADMP C[NH+](C)CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000548061866 430443559 /nfs/dbraw/zinc/44/35/59/430443559.db2.gz IEYWZLSWORTROG-UHFFFAOYSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852288 430455913 /nfs/dbraw/zinc/45/59/13/430455913.db2.gz XBYUYBQOTOSBHD-WMZOPIPTSA-N 2 1 317.477 2.675 20 0 DFADMP CC[C@H](CSc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000569476260 430457513 /nfs/dbraw/zinc/45/75/13/430457513.db2.gz UBCJXIGNCODEMX-ZBFHGGJFSA-N 2 1 308.491 2.602 20 0 DFADMP CC[C@H](CSc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000569476260 430457516 /nfs/dbraw/zinc/45/75/16/430457516.db2.gz UBCJXIGNCODEMX-ZBFHGGJFSA-N 2 1 308.491 2.602 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000638867171 430460935 /nfs/dbraw/zinc/46/09/35/430460935.db2.gz YZRAWBIDCTYJJM-AYBZRNKSSA-N 2 1 301.478 2.894 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000569495155 430461285 /nfs/dbraw/zinc/46/12/85/430461285.db2.gz CXBHDGHSBGHSCL-KRWDZBQOSA-N 2 1 310.869 2.832 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000569495155 430461289 /nfs/dbraw/zinc/46/12/89/430461289.db2.gz CXBHDGHSBGHSCL-KRWDZBQOSA-N 2 1 310.869 2.832 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000641769760 430466966 /nfs/dbraw/zinc/46/69/66/430466966.db2.gz CMUHAXBTEJQYHB-HNNXBMFYSA-N 2 1 303.450 2.659 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569684633 430476526 /nfs/dbraw/zinc/47/65/26/430476526.db2.gz QPEXWIPGUJZWTN-STQMWFEESA-N 2 1 317.355 2.772 20 0 DFADMP CC[C@H](NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000641804916 430479188 /nfs/dbraw/zinc/47/91/88/430479188.db2.gz MFIBJYUEZNWODA-RRFJBIMHSA-N 2 1 323.868 2.623 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)CC1 ZINC000585116446 430479395 /nfs/dbraw/zinc/47/93/95/430479395.db2.gz WJNGTPZTWFKIOM-UHFFFAOYSA-N 2 1 319.424 2.572 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641808955 430480018 /nfs/dbraw/zinc/48/00/18/430480018.db2.gz VDAQJDAOBIIOPB-LEWSCRJBSA-N 2 1 309.841 2.691 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000641807824 430480300 /nfs/dbraw/zinc/48/03/00/430480300.db2.gz SBMDAWYBMGBBCC-HJIKLVIJSA-N 2 1 313.804 2.522 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2C(F)(F)F)CC1 ZINC000569101805 430423379 /nfs/dbraw/zinc/42/33/79/430423379.db2.gz DUERAJUHPSRNJE-UONOGXRCSA-N 2 1 308.388 2.808 20 0 DFADMP CSc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000569123741 430426640 /nfs/dbraw/zinc/42/66/40/430426640.db2.gz WMJKMQAFIZRCQS-KRWDZBQOSA-N 2 1 306.475 2.863 20 0 DFADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000583794409 430429268 /nfs/dbraw/zinc/42/92/68/430429268.db2.gz OWTZUMMTUIKCBY-LULLPPNCSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641809290 430480588 /nfs/dbraw/zinc/48/05/88/430480588.db2.gz VROKMCFPHCBWHW-ZLKJLUDKSA-N 2 1 309.841 2.691 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@@H]1C(F)(F)F ZINC000641825495 430484298 /nfs/dbraw/zinc/48/42/98/430484298.db2.gz YCAIDCDJSABXLP-RDBSUJKOSA-N 2 1 320.399 2.937 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@@H]1C(F)(F)F ZINC000641825495 430484299 /nfs/dbraw/zinc/48/42/99/430484299.db2.gz YCAIDCDJSABXLP-RDBSUJKOSA-N 2 1 320.399 2.937 20 0 DFADMP C[C@@H]([NH2+]C1CC(n2cccn2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638973181 430485236 /nfs/dbraw/zinc/48/52/36/430485236.db2.gz YFIDRLXOTSZYTK-MHAAMQRSSA-N 2 1 302.466 2.829 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000569817127 430488256 /nfs/dbraw/zinc/48/82/56/430488256.db2.gz MGIJEWFEDJJCCQ-CQSZACIVSA-N 2 1 318.465 2.574 20 0 DFADMP CC[NH2+]CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000569833909 430489764 /nfs/dbraw/zinc/48/97/64/430489764.db2.gz HXTGVZPFIOODRU-REPLKXPHSA-N 2 1 301.478 2.771 20 0 DFADMP CC[NH2+]CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000569833909 430489767 /nfs/dbraw/zinc/48/97/67/430489767.db2.gz HXTGVZPFIOODRU-REPLKXPHSA-N 3 1 301.478 2.771 20 0 DFADMP CC[NH2+]CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000569833909 430489772 /nfs/dbraw/zinc/48/97/72/430489772.db2.gz HXTGVZPFIOODRU-REPLKXPHSA-N 3 1 301.478 2.771 20 0 DFADMP CO[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081714 430516663 /nfs/dbraw/zinc/51/66/63/430516663.db2.gz SYOFXKHXVNHYOA-RTBURBONSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081714 430516668 /nfs/dbraw/zinc/51/66/68/430516668.db2.gz SYOFXKHXVNHYOA-RTBURBONSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081714 430516670 /nfs/dbraw/zinc/51/66/70/430516670.db2.gz SYOFXKHXVNHYOA-RTBURBONSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081714 430516675 /nfs/dbraw/zinc/51/66/75/430516675.db2.gz SYOFXKHXVNHYOA-RTBURBONSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000639082828 430517397 /nfs/dbraw/zinc/51/73/97/430517397.db2.gz YAIUWLVSQDKHQS-SFHVURJKSA-N 2 1 302.462 2.804 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCOCC3CCC3)C2)c1 ZINC000642686748 430525872 /nfs/dbraw/zinc/52/58/72/430525872.db2.gz ZEPJDVQNMZLQQC-QGZVFWFLSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCOCC3CCC3)C2)c1 ZINC000642686748 430525876 /nfs/dbraw/zinc/52/58/76/430525876.db2.gz ZEPJDVQNMZLQQC-QGZVFWFLSA-N 2 1 303.450 2.941 20 0 DFADMP c1[nH+]c(C2CC[NH+](CCC[C@H]3CCO3)CC2)n2c1CCCC2 ZINC000639115648 430529240 /nfs/dbraw/zinc/52/92/40/430529240.db2.gz YAXWRQGPKAHEDR-KRWDZBQOSA-N 2 1 303.450 2.968 20 0 DFADMP C[C@@H]1C[C@@H](Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000639114628 430530095 /nfs/dbraw/zinc/53/00/95/430530095.db2.gz GMEZFRCLRCFAJY-KEYYUXOJSA-N 2 1 303.450 2.966 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000570320878 430533515 /nfs/dbraw/zinc/53/35/15/430533515.db2.gz IDSNXVJJKVGPHP-OALUTQOASA-N 2 1 322.456 2.614 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000549867870 430533998 /nfs/dbraw/zinc/53/39/98/430533998.db2.gz YRQUQFJDMLIOFF-ZFWWWQNUSA-N 2 1 309.479 2.815 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000549867870 430534004 /nfs/dbraw/zinc/53/40/04/430534004.db2.gz YRQUQFJDMLIOFF-ZFWWWQNUSA-N 2 1 309.479 2.815 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000549867870 430534008 /nfs/dbraw/zinc/53/40/08/430534008.db2.gz YRQUQFJDMLIOFF-ZFWWWQNUSA-N 2 1 309.479 2.815 20 0 DFADMP O[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000570385588 430538052 /nfs/dbraw/zinc/53/80/52/430538052.db2.gz RGFRYGHKWKTPDN-UAPYVXQJSA-N 2 1 320.452 2.726 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@H]2CCC[NH2+]2)cc1 ZINC000570389242 430539281 /nfs/dbraw/zinc/53/92/81/430539281.db2.gz ZXBKADVNBMAUOI-HYEGPXJVSA-N 3 1 317.477 2.595 20 0 DFADMP COc1ccc(COCC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000643078010 430549394 /nfs/dbraw/zinc/54/93/94/430549394.db2.gz OKQDABDRNDOAQV-GOSISDBHSA-N 2 1 306.450 2.709 20 0 DFADMP Cc1nc2sccn2c1C[N@H+](C)CCCc1cncn1C ZINC000570525851 430551399 /nfs/dbraw/zinc/55/13/99/430551399.db2.gz XRTQKWCXBAMPLV-UHFFFAOYSA-N 2 1 303.435 2.502 20 0 DFADMP Cc1nc2sccn2c1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000570525851 430551405 /nfs/dbraw/zinc/55/14/05/430551405.db2.gz XRTQKWCXBAMPLV-UHFFFAOYSA-N 2 1 303.435 2.502 20 0 DFADMP Cn1ccnc1[C@H](C1CC1)[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176482 430557078 /nfs/dbraw/zinc/55/70/78/430557078.db2.gz HVCGXSNCFMCGBT-IRXDYDNUSA-N 2 1 302.466 2.535 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000639180278 430557910 /nfs/dbraw/zinc/55/79/10/430557910.db2.gz WDOONZKUVDOURU-OTWHNJEPSA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000639180278 430557914 /nfs/dbraw/zinc/55/79/14/430557914.db2.gz WDOONZKUVDOURU-OTWHNJEPSA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639177767 430559707 /nfs/dbraw/zinc/55/97/07/430559707.db2.gz WTNBWQMHHDFPMV-UXHICEINSA-N 2 1 316.489 2.908 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000643250188 430566258 /nfs/dbraw/zinc/56/62/58/430566258.db2.gz DSZIMHMUWDKWJH-LJQANCHMSA-N 2 1 300.446 2.893 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCC[C@@H]1C1CC1 ZINC000643250188 430566264 /nfs/dbraw/zinc/56/62/64/430566264.db2.gz DSZIMHMUWDKWJH-LJQANCHMSA-N 2 1 300.446 2.893 20 0 DFADMP CC(C)n1cc(C2=CCC[N@@H+]([C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)nn1 ZINC000639227710 430579450 /nfs/dbraw/zinc/57/94/50/430579450.db2.gz QFYDGFWIMUCAMN-DOTOQJQBSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[N@H+]([C@@H]3CC[NH+](C)[C@@H](C)C3)CC2)nn1 ZINC000639227710 430579455 /nfs/dbraw/zinc/57/94/55/430579455.db2.gz QFYDGFWIMUCAMN-DOTOQJQBSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+]([C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nn1 ZINC000639227710 430579459 /nfs/dbraw/zinc/57/94/59/430579459.db2.gz QFYDGFWIMUCAMN-DOTOQJQBSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+]([C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nn1 ZINC000639227710 430579462 /nfs/dbraw/zinc/57/94/62/430579462.db2.gz QFYDGFWIMUCAMN-DOTOQJQBSA-N 2 1 317.481 2.821 20 0 DFADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000571088127 430601824 /nfs/dbraw/zinc/60/18/24/430601824.db2.gz MBBGPXOYHZPSOQ-BHYGNILZSA-N 2 1 311.429 2.803 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2)cn1 ZINC000570927693 430589638 /nfs/dbraw/zinc/58/96/38/430589638.db2.gz GPSJBVXRGFAZEQ-INIZCTEOSA-N 2 1 302.447 2.509 20 0 DFADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000639256421 430589963 /nfs/dbraw/zinc/58/99/63/430589963.db2.gz ZHNZTDOZZDDXDD-XLIONFOSSA-N 3 1 324.472 2.920 20 0 DFADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000639256421 430589968 /nfs/dbraw/zinc/58/99/68/430589968.db2.gz ZHNZTDOZZDDXDD-XLIONFOSSA-N 3 1 324.472 2.920 20 0 DFADMP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000639256419 430590201 /nfs/dbraw/zinc/59/02/01/430590201.db2.gz ZHNZTDOZZDDXDD-PXNSSMCTSA-N 3 1 324.472 2.920 20 0 DFADMP Cn1cnc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000639256419 430590204 /nfs/dbraw/zinc/59/02/04/430590204.db2.gz ZHNZTDOZZDDXDD-PXNSSMCTSA-N 3 1 324.472 2.920 20 0 DFADMP Cc1nc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)[nH]c1C ZINC000570986999 430594410 /nfs/dbraw/zinc/59/44/10/430594410.db2.gz VBLKTYZLZVUYST-GOSISDBHSA-N 2 1 312.461 2.681 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639271559 430594935 /nfs/dbraw/zinc/59/49/35/430594935.db2.gz NBIDRHGWRZSVFU-RNIPGJKVSA-N 2 1 300.446 2.858 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639271559 430594940 /nfs/dbraw/zinc/59/49/40/430594940.db2.gz NBIDRHGWRZSVFU-RNIPGJKVSA-N 2 1 300.446 2.858 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714544 430650415 /nfs/dbraw/zinc/65/04/15/430650415.db2.gz BYWKFWWZUNOURA-JEDBISTDSA-N 2 1 300.446 2.531 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000554725581 430650456 /nfs/dbraw/zinc/65/04/56/430650456.db2.gz WLWNROSKDPFXDX-CENDIDJXSA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000554725581 430650458 /nfs/dbraw/zinc/65/04/58/430650458.db2.gz WLWNROSKDPFXDX-CENDIDJXSA-N 2 1 314.473 2.648 20 0 DFADMP O[C@@]1(C[NH+]2CCC(C(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639518570 430661997 /nfs/dbraw/zinc/66/19/97/430661997.db2.gz JVWAFWFGBQUKKV-GOSISDBHSA-N 2 1 324.415 2.601 20 0 DFADMP O[C@@]1(C[NH+]2CCC(C(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639518570 430662000 /nfs/dbraw/zinc/66/20/00/430662000.db2.gz JVWAFWFGBQUKKV-GOSISDBHSA-N 2 1 324.415 2.601 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000554886002 430654752 /nfs/dbraw/zinc/65/47/52/430654752.db2.gz JHNBYMIEUWTTAE-KSSFIOAISA-N 2 1 316.424 2.783 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000554886002 430654753 /nfs/dbraw/zinc/65/47/53/430654753.db2.gz JHNBYMIEUWTTAE-KSSFIOAISA-N 2 1 316.424 2.783 20 0 DFADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000554958918 430656817 /nfs/dbraw/zinc/65/68/17/430656817.db2.gz ZNENDXNTUZOPTI-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1)C1CC1 ZINC000571101778 430603350 /nfs/dbraw/zinc/60/33/50/430603350.db2.gz CSLSMLYPMLIFHI-RHSMWYFYSA-N 2 1 315.461 2.623 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000643463494 430603676 /nfs/dbraw/zinc/60/36/76/430603676.db2.gz GXZNIDPTKBDMTC-QZTJIDSGSA-N 2 1 315.505 2.937 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533962 430612892 /nfs/dbraw/zinc/61/28/92/430612892.db2.gz ISVLBZMIJFJDDL-NZSAHSFTSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533962 430612897 /nfs/dbraw/zinc/61/28/97/430612897.db2.gz ISVLBZMIJFJDDL-NZSAHSFTSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H]([NH3+])C[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000643528372 430613162 /nfs/dbraw/zinc/61/31/62/430613162.db2.gz IHMXCJKTEUSERX-HUUCEWRRSA-N 2 1 324.428 2.911 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523117 430613270 /nfs/dbraw/zinc/61/32/70/430613270.db2.gz WXFYGLRHSHZXGY-HAGHYFMRSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523117 430613273 /nfs/dbraw/zinc/61/32/73/430613273.db2.gz WXFYGLRHSHZXGY-HAGHYFMRSA-N 3 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523117 430613275 /nfs/dbraw/zinc/61/32/75/430613275.db2.gz WXFYGLRHSHZXGY-HAGHYFMRSA-N 3 1 313.489 2.914 20 0 DFADMP COC[C@@H](C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571448220 430629650 /nfs/dbraw/zinc/62/96/50/430629650.db2.gz XKUDGRBWYWSKGZ-HKUYNNGSSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@@H]1CCCN(c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)ncn2)C1 ZINC000554211564 430630206 /nfs/dbraw/zinc/63/02/06/430630206.db2.gz ZVFRIHYPJNIJKW-HUUCEWRRSA-N 2 1 315.465 2.609 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000554376652 430635111 /nfs/dbraw/zinc/63/51/11/430635111.db2.gz DIGGZONSWZTHJB-NEWSRXKRSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000554376652 430635112 /nfs/dbraw/zinc/63/51/12/430635112.db2.gz DIGGZONSWZTHJB-NEWSRXKRSA-N 2 1 304.478 2.894 20 0 DFADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000571569300 430637838 /nfs/dbraw/zinc/63/78/38/430637838.db2.gz YMCFDWSKGTTWTC-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000571569300 430637841 /nfs/dbraw/zinc/63/78/41/430637841.db2.gz YMCFDWSKGTTWTC-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000571569300 430637843 /nfs/dbraw/zinc/63/78/43/430637843.db2.gz YMCFDWSKGTTWTC-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000571569300 430637846 /nfs/dbraw/zinc/63/78/46/430637846.db2.gz YMCFDWSKGTTWTC-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000571578230 430637934 /nfs/dbraw/zinc/63/79/34/430637934.db2.gz HSJPCCJJXREIJZ-IAGOWNOFSA-N 2 1 319.836 2.814 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000571578230 430637936 /nfs/dbraw/zinc/63/79/36/430637936.db2.gz HSJPCCJJXREIJZ-IAGOWNOFSA-N 2 1 319.836 2.814 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000571571379 430638652 /nfs/dbraw/zinc/63/86/52/430638652.db2.gz BJGFUZSIXBIKMA-JENIJYKNSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000571571379 430638654 /nfs/dbraw/zinc/63/86/54/430638654.db2.gz BJGFUZSIXBIKMA-JENIJYKNSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000571571379 430638657 /nfs/dbraw/zinc/63/86/57/430638657.db2.gz BJGFUZSIXBIKMA-JENIJYKNSA-N 2 1 303.494 2.825 20 0 DFADMP C[N@@H+](Cc1cccc2c1CCOC2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639600376 430679274 /nfs/dbraw/zinc/67/92/74/430679274.db2.gz NSCZSUVFPKEHPG-HNNXBMFYSA-N 2 1 311.429 2.650 20 0 DFADMP C[N@H+](Cc1cccc2c1CCOC2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639600376 430679276 /nfs/dbraw/zinc/67/92/76/430679276.db2.gz NSCZSUVFPKEHPG-HNNXBMFYSA-N 2 1 311.429 2.650 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000277146568 278035049 /nfs/dbraw/zinc/03/50/49/278035049.db2.gz DKZSJDZCJYJLNV-CGTJXYLNSA-N 2 1 300.446 2.769 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000277146568 278035050 /nfs/dbraw/zinc/03/50/50/278035050.db2.gz DKZSJDZCJYJLNV-CGTJXYLNSA-N 2 1 300.446 2.769 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000572393657 430685793 /nfs/dbraw/zinc/68/57/93/430685793.db2.gz SHNDOEYGSMDDAT-RAIGVLPGSA-N 2 1 322.396 2.644 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000572393657 430685794 /nfs/dbraw/zinc/68/57/94/430685794.db2.gz SHNDOEYGSMDDAT-RAIGVLPGSA-N 2 1 322.396 2.644 20 0 DFADMP C[C@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247381117 278150777 /nfs/dbraw/zinc/15/07/77/278150777.db2.gz UHRBKIQXRTXHQJ-OWCLPIDISA-N 2 1 321.509 2.771 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000572632432 430693109 /nfs/dbraw/zinc/69/31/09/430693109.db2.gz DVCMNJPVHDNFOW-YXJHDRRASA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000572632432 430693111 /nfs/dbraw/zinc/69/31/11/430693111.db2.gz DVCMNJPVHDNFOW-YXJHDRRASA-N 2 1 306.425 2.507 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117327 278310704 /nfs/dbraw/zinc/31/07/04/278310704.db2.gz NZDDJPBTGHXGFK-APWZRJJASA-N 2 1 301.478 2.848 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000171588492 278395710 /nfs/dbraw/zinc/39/57/10/278395710.db2.gz VAYDGHIINLCEJS-CABCVRRESA-N 2 1 308.441 2.911 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2coc3ccccc23)CC1 ZINC000179515678 278395794 /nfs/dbraw/zinc/39/57/94/278395794.db2.gz SADDXSQFNDLGEH-OAHLLOKOSA-N 2 1 316.445 2.957 20 0 DFADMP Cc1cc2ccccc2nc1N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000664598434 430702384 /nfs/dbraw/zinc/70/23/84/430702384.db2.gz HVYRHGGEPGMGHY-KRWDZBQOSA-N 2 1 311.429 2.579 20 0 DFADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657750965 430726004 /nfs/dbraw/zinc/72/60/04/430726004.db2.gz FNYOPUYMKFEUHT-KRWDZBQOSA-N 2 1 308.853 2.991 20 0 DFADMP CC(C)[C@H](O)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657748892 430726638 /nfs/dbraw/zinc/72/66/38/430726638.db2.gz WTBRBVHYLBEPSS-HCXYKTFWSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@H](O)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657748892 430726644 /nfs/dbraw/zinc/72/66/44/430726644.db2.gz WTBRBVHYLBEPSS-HCXYKTFWSA-N 2 1 302.462 2.961 20 0 DFADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000657833068 430748678 /nfs/dbraw/zinc/74/86/78/430748678.db2.gz MPNKETHXPHMTOF-ROUUACIJSA-N 2 1 312.498 2.528 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cncc(Br)c1 ZINC000657864743 430756306 /nfs/dbraw/zinc/75/63/06/430756306.db2.gz RJLVZRBFXMZBTA-SNVBAGLBSA-N 2 1 309.211 2.700 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000644574672 430757054 /nfs/dbraw/zinc/75/70/54/430757054.db2.gz BIKRMGRTTZOUGD-NJYVYQBISA-N 2 1 324.468 2.799 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@@]1(C)c1ccccc1 ZINC000644574672 430757058 /nfs/dbraw/zinc/75/70/58/430757058.db2.gz BIKRMGRTTZOUGD-NJYVYQBISA-N 2 1 324.468 2.799 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657882125 430760956 /nfs/dbraw/zinc/76/09/56/430760956.db2.gz XUJQKOANILJVSH-HOCLYGCPSA-N 2 1 317.433 2.715 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)[C@@H](C)C1 ZINC000657884541 430761768 /nfs/dbraw/zinc/76/17/68/430761768.db2.gz VGGFXIPXEGREDU-GOEBONIOSA-N 2 1 318.452 2.801 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)[C@@H](C)C1 ZINC000657884542 430761864 /nfs/dbraw/zinc/76/18/64/430761864.db2.gz VGGFXIPXEGREDU-HOCLYGCPSA-N 2 1 318.452 2.801 20 0 DFADMP C([NH2+][C@@H]1CCCSCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000657915891 430767658 /nfs/dbraw/zinc/76/76/58/430767658.db2.gz PVSMPGXPGQYISB-MRXNPFEDSA-N 2 1 312.523 2.897 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCCC34CC4)C2)nc(C)[nH+]1 ZINC000657944021 430773993 /nfs/dbraw/zinc/77/39/93/430773993.db2.gz WULHGFWASUDALI-HOTGVXAUSA-N 2 1 300.450 2.985 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000644654462 430780738 /nfs/dbraw/zinc/78/07/38/430780738.db2.gz RHXSLUFIQMHWOY-ABHNRTSZSA-N 2 1 304.478 2.894 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000644654462 430780745 /nfs/dbraw/zinc/78/07/45/430780745.db2.gz RHXSLUFIQMHWOY-ABHNRTSZSA-N 2 1 304.478 2.894 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658121008 430818625 /nfs/dbraw/zinc/81/86/25/430818625.db2.gz YZCZZXKETBICPB-FVQBIDKESA-N 2 1 304.434 2.666 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658121008 430818628 /nfs/dbraw/zinc/81/86/28/430818628.db2.gz YZCZZXKETBICPB-FVQBIDKESA-N 2 1 304.434 2.666 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cnccc2C)[C@@H](C)C1 ZINC000658126464 430818768 /nfs/dbraw/zinc/81/87/68/430818768.db2.gz MGMQKKLNQPEOIF-PKOBYXMFSA-N 2 1 319.493 2.659 20 0 DFADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136226 430820725 /nfs/dbraw/zinc/82/07/25/430820725.db2.gz CIZLFJYQXHJIGD-QYZOEREBSA-N 2 1 302.462 2.922 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCF)cc2)C1 ZINC000658134925 430820790 /nfs/dbraw/zinc/82/07/90/430820790.db2.gz CFNAYMITCUVYDN-IPMKNSEASA-N 2 1 320.452 2.871 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)C1 ZINC000658134342 430820989 /nfs/dbraw/zinc/82/09/89/430820989.db2.gz AKJPYQBCHXMBSA-AQNXPRMDSA-N 2 1 314.473 2.922 20 0 DFADMP Cn1cncc1CC[N@@H+]1C[C@@H](c2cccc(F)c2)OCC1(C)C ZINC000661736284 430823273 /nfs/dbraw/zinc/82/32/73/430823273.db2.gz OHUXLNXXCMOPBQ-KRWDZBQOSA-N 2 1 317.408 2.954 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658147351 430825421 /nfs/dbraw/zinc/82/54/21/430825421.db2.gz ZGGPWKKUNODPLF-PBHICJAKSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155648 430825656 /nfs/dbraw/zinc/82/56/56/430825656.db2.gz QMTGOFQFLYLRGN-OQIJWPOYSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155654 430826430 /nfs/dbraw/zinc/82/64/30/430826430.db2.gz QMTGOFQFLYLRGN-UXDRXVOSSA-N 2 1 314.473 2.933 20 0 DFADMP COc1cc(F)cc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000648586844 430831583 /nfs/dbraw/zinc/83/15/83/430831583.db2.gz PETCQSGJVBUHAO-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1cc(F)cc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000648586844 430831585 /nfs/dbraw/zinc/83/15/85/430831585.db2.gz PETCQSGJVBUHAO-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000644666600 430786068 /nfs/dbraw/zinc/78/60/68/430786068.db2.gz PMMNJRDSKILWRG-RTBURBONSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000644666600 430786071 /nfs/dbraw/zinc/78/60/71/430786071.db2.gz PMMNJRDSKILWRG-RTBURBONSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000661649925 430790074 /nfs/dbraw/zinc/79/00/74/430790074.db2.gz QVUFWLQMYWLHPD-VQTJNVASSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000661649925 430790077 /nfs/dbraw/zinc/79/00/77/430790077.db2.gz QVUFWLQMYWLHPD-VQTJNVASSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000661649925 430790081 /nfs/dbraw/zinc/79/00/81/430790081.db2.gz QVUFWLQMYWLHPD-VQTJNVASSA-N 2 1 315.505 2.720 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccncc3C)C2)nc(C)[nH+]1 ZINC000648446242 430791294 /nfs/dbraw/zinc/79/12/94/430791294.db2.gz QMLBXDYENYHMPE-QGZVFWFLSA-N 2 1 311.433 2.555 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCO1 ZINC000648446149 430791462 /nfs/dbraw/zinc/79/14/62/430791462.db2.gz FIXNHYAYBAEYID-BRWVUGGUSA-N 2 1 318.465 2.609 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CC(OC)C2)[C@H](C)C1 ZINC000658054847 430796081 /nfs/dbraw/zinc/79/60/81/430796081.db2.gz FEDKXPMSVPDEGH-CPFNUKBASA-N 2 1 312.498 2.528 20 0 DFADMP CCC1(CC)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000661675404 430800969 /nfs/dbraw/zinc/80/09/69/430800969.db2.gz VVEOMCVGTCUYQG-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658223403 430845354 /nfs/dbraw/zinc/84/53/54/430845354.db2.gz YZQAGBMKOIJMNQ-QLFBSQMISA-N 2 1 304.425 2.758 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000658230493 430845609 /nfs/dbraw/zinc/84/56/09/430845609.db2.gz ZEJLJSIFPJYKBF-BVBHFADKSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000658230493 430845613 /nfs/dbraw/zinc/84/56/13/430845613.db2.gz ZEJLJSIFPJYKBF-BVBHFADKSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000658230493 430845619 /nfs/dbraw/zinc/84/56/19/430845619.db2.gz ZEJLJSIFPJYKBF-BVBHFADKSA-N 2 1 305.510 2.856 20 0 DFADMP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000658240522 430849227 /nfs/dbraw/zinc/84/92/27/430849227.db2.gz YQKGHHPGMSZVFS-MJGOQNOKSA-N 2 1 316.445 2.613 20 0 DFADMP Cc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665200656 430853882 /nfs/dbraw/zinc/85/38/82/430853882.db2.gz BUIDOIOSJQLKOI-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1cc(F)ccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665200656 430853885 /nfs/dbraw/zinc/85/38/85/430853885.db2.gz BUIDOIOSJQLKOI-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658255884 430855558 /nfs/dbraw/zinc/85/55/58/430855558.db2.gz WPOGAFQSEOMIHT-IAGOWNOFSA-N 2 1 324.509 2.813 20 0 DFADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665235872 430863757 /nfs/dbraw/zinc/86/37/57/430863757.db2.gz BJDRXYVMWJIOKJ-OKZBNKHCSA-N 2 1 314.477 2.692 20 0 DFADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000665234793 430864523 /nfs/dbraw/zinc/86/45/23/430864523.db2.gz KDWDHWDMLPVQIU-RWMBFGLXSA-N 2 1 314.355 2.506 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665234997 430864777 /nfs/dbraw/zinc/86/47/77/430864777.db2.gz NVADHEBLZDBGDK-YPMHNXCESA-N 2 1 316.371 2.896 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000648715700 430865453 /nfs/dbraw/zinc/86/54/53/430865453.db2.gz BNKAWPLHSFGVES-OAHLLOKOSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000648717359 430867475 /nfs/dbraw/zinc/86/74/75/430867475.db2.gz VKGPMNQQAADUSG-HOTGVXAUSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000648717359 430867480 /nfs/dbraw/zinc/86/74/80/430867480.db2.gz VKGPMNQQAADUSG-HOTGVXAUSA-N 2 1 320.481 2.777 20 0 DFADMP C[C@@H]1[C@@H](NCC2([NH3+])CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000665247002 430868236 /nfs/dbraw/zinc/86/82/36/430868236.db2.gz SXUOURINBSFMJT-AEFFLSMTSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@@H]1[C@@H](NCC2([NH3+])CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000665247002 430868241 /nfs/dbraw/zinc/86/82/41/430868241.db2.gz SXUOURINBSFMJT-AEFFLSMTSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000665253550 430869645 /nfs/dbraw/zinc/86/96/45/430869645.db2.gz VNEHRUPWBJMXHH-NIKGAXFTSA-N 3 1 319.468 2.591 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCCOC1 ZINC000665254174 430869671 /nfs/dbraw/zinc/86/96/71/430869671.db2.gz JFYWGFUYEMOLGC-MOIQIXESSA-N 2 1 306.425 2.676 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCOC1 ZINC000665253334 430869922 /nfs/dbraw/zinc/86/99/22/430869922.db2.gz OASCIALIURPWCI-SCFUHWHPSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251420 430870420 /nfs/dbraw/zinc/87/04/20/430870420.db2.gz OUYOMFFVEQCBRB-KFKAGJAMSA-N 2 1 302.462 2.927 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCCCO)cc1 ZINC000665255146 430873141 /nfs/dbraw/zinc/87/31/41/430873141.db2.gz KDHIGNIXMBLTIT-SNRMKQJTSA-N 2 1 320.477 2.672 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000665264678 430874239 /nfs/dbraw/zinc/87/42/39/430874239.db2.gz GBMVTPFIBREBMV-AEFFLSMTSA-N 2 1 310.445 2.880 20 0 DFADMP C1C[NH2+][C@@H]([C@@H]2CCC[C@H]2N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000665267154 430876893 /nfs/dbraw/zinc/87/68/93/430876893.db2.gz QQNJNKOQOJOMPE-GDAAHCPNSA-N 2 1 305.510 2.904 20 0 DFADMP CC(C)[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665292369 430889561 /nfs/dbraw/zinc/88/95/61/430889561.db2.gz ZXFVYINEPOWUHJ-MRXNPFEDSA-N 2 1 320.824 2.781 20 0 DFADMP CCC[NH+]1CCC(N(C)C(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648745726 430878469 /nfs/dbraw/zinc/87/84/69/430878469.db2.gz NMTDFYJFXCFQFI-OAHLLOKOSA-N 2 1 320.481 2.729 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCSC[C@@H]2C2CC2)cc1 ZINC000648752518 430879897 /nfs/dbraw/zinc/87/98/97/430879897.db2.gz JXLPOXSILVAICE-GOSISDBHSA-N 2 1 320.502 2.954 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000648755294 430882132 /nfs/dbraw/zinc/88/21/32/430882132.db2.gz XJOOIXLGJXAJKX-HNNXBMFYSA-N 2 1 320.481 2.729 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000648755294 430882135 /nfs/dbraw/zinc/88/21/35/430882135.db2.gz XJOOIXLGJXAJKX-HNNXBMFYSA-N 2 1 320.481 2.729 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658349915 430882631 /nfs/dbraw/zinc/88/26/31/430882631.db2.gz VPLRAMHVBLLZNM-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658349386 430883037 /nfs/dbraw/zinc/88/30/37/430883037.db2.gz SVZPXQYWQNXAJT-YRPNKDGESA-N 2 1 313.489 2.723 20 0 DFADMP CC(C)C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665292147 430887878 /nfs/dbraw/zinc/88/78/78/430887878.db2.gz UJMHKWTVWMNSKY-HNNXBMFYSA-N 2 1 300.406 2.518 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@H](CO)CC(C)(C)C)cc1 ZINC000648781845 430888270 /nfs/dbraw/zinc/88/82/70/430888270.db2.gz VCQLARJICFCMCR-KRWDZBQOSA-N 2 1 322.493 2.856 20 0 DFADMP CC(C)[C@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665292526 430888749 /nfs/dbraw/zinc/88/87/49/430888749.db2.gz BZNGWPKFLVWJML-CVEARBPZSA-N 2 1 312.417 2.615 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665292830 430890110 /nfs/dbraw/zinc/89/01/10/430890110.db2.gz KEBXAQIHBQQTSV-OAHLLOKOSA-N 2 1 312.417 2.543 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000645014889 430890597 /nfs/dbraw/zinc/89/05/97/430890597.db2.gz ALHUNTDNUDFUOC-AWRGBYNESA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000645014889 430890602 /nfs/dbraw/zinc/89/06/02/430890602.db2.gz ALHUNTDNUDFUOC-AWRGBYNESA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299838 430891171 /nfs/dbraw/zinc/89/11/71/430891171.db2.gz UHHMQODAKORSBP-FFZOFVMBSA-N 2 1 315.505 2.657 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC(F)(F)F ZINC000665301162 430891641 /nfs/dbraw/zinc/89/16/41/430891641.db2.gz PNRXVECQQZXSEF-YNEHKIRRSA-N 2 1 308.388 2.712 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](O)CC(C)(C)C2)cc1 ZINC000648794061 430892836 /nfs/dbraw/zinc/89/28/36/430892836.db2.gz LLKMOWMUTYMZJE-KRWDZBQOSA-N 2 1 320.477 2.610 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000648798523 430896284 /nfs/dbraw/zinc/89/62/84/430896284.db2.gz KIPZFRDAVZRLNH-WZYMTQMTSA-N 2 1 318.465 2.528 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000648798523 430896290 /nfs/dbraw/zinc/89/62/90/430896290.db2.gz KIPZFRDAVZRLNH-WZYMTQMTSA-N 2 1 318.465 2.528 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000651865647 430896868 /nfs/dbraw/zinc/89/68/68/430896868.db2.gz BSCMZSHLTBXCGJ-UHFFFAOYSA-N 2 1 300.450 2.940 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000651865647 430896871 /nfs/dbraw/zinc/89/68/71/430896871.db2.gz BSCMZSHLTBXCGJ-UHFFFAOYSA-N 2 1 300.450 2.940 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000651866006 430898239 /nfs/dbraw/zinc/89/82/39/430898239.db2.gz QBBFUNLLDFFQRU-UHFFFAOYSA-N 2 1 318.509 2.614 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000651866484 430898809 /nfs/dbraw/zinc/89/88/09/430898809.db2.gz GNINWNMLMOKPNJ-UHFFFAOYSA-N 2 1 317.477 2.646 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1 ZINC000651866484 430898814 /nfs/dbraw/zinc/89/88/14/430898814.db2.gz GNINWNMLMOKPNJ-UHFFFAOYSA-N 2 1 317.477 2.646 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000648838313 430909192 /nfs/dbraw/zinc/90/91/92/430909192.db2.gz BQCZXIXJFHVCQY-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000648838313 430909196 /nfs/dbraw/zinc/90/91/96/430909196.db2.gz BQCZXIXJFHVCQY-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP C[NH+](C)CCOc1ccc(CNC(C)(C)C[NH+]2CCCC2)cc1 ZINC000648868953 430920006 /nfs/dbraw/zinc/92/00/06/430920006.db2.gz MMNBRKJVLSHAKI-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H](C)C1 ZINC000651966328 430928466 /nfs/dbraw/zinc/92/84/66/430928466.db2.gz DMRMPWOWBMJOSC-HPBDAGMYSA-N 2 1 303.450 2.622 20 0 DFADMP CC[C@H](c1ccc(F)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153827 430980794 /nfs/dbraw/zinc/98/07/94/430980794.db2.gz CVFHPZDMVUFYFY-QZTJIDSGSA-N 2 1 306.425 2.808 20 0 DFADMP CCCOc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662153049 430981208 /nfs/dbraw/zinc/98/12/08/430981208.db2.gz MROLHLNKEITMGX-GOSISDBHSA-N 2 1 318.461 2.506 20 0 DFADMP CCc1nc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc(C)[nH+]1 ZINC000645372476 430983968 /nfs/dbraw/zinc/98/39/68/430983968.db2.gz WYLAMZVAAPEYPE-SJORKVTESA-N 2 1 310.445 3.105 20 0 DFADMP CCc1nc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc(C)[nH+]1 ZINC000645372476 430983971 /nfs/dbraw/zinc/98/39/71/430983971.db2.gz WYLAMZVAAPEYPE-SJORKVTESA-N 2 1 310.445 3.105 20 0 DFADMP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000659284296 431011550 /nfs/dbraw/zinc/01/15/50/431011550.db2.gz CZYKCCPAYSCTDY-INIZCTEOSA-N 2 1 317.477 2.675 20 0 DFADMP CC[N@@H+](CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000652216134 430990583 /nfs/dbraw/zinc/99/05/83/430990583.db2.gz JVMPLSUYHIGVCC-HOTGVXAUSA-N 2 1 324.513 2.600 20 0 DFADMP CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000662131880 430970660 /nfs/dbraw/zinc/97/06/60/430970660.db2.gz VWZOCZMBJDIZKR-ZCTYVAAUSA-N 2 1 302.462 2.742 20 0 DFADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000662131880 430970665 /nfs/dbraw/zinc/97/06/65/430970665.db2.gz VWZOCZMBJDIZKR-ZCTYVAAUSA-N 2 1 302.462 2.742 20 0 DFADMP CC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000662131880 430970669 /nfs/dbraw/zinc/97/06/69/430970669.db2.gz VWZOCZMBJDIZKR-ZCTYVAAUSA-N 2 1 302.462 2.742 20 0 DFADMP CC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000662131880 430970675 /nfs/dbraw/zinc/97/06/75/430970675.db2.gz VWZOCZMBJDIZKR-ZCTYVAAUSA-N 2 1 302.462 2.742 20 0 DFADMP CC(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000652143219 430971026 /nfs/dbraw/zinc/97/10/26/430971026.db2.gz SJGFMHCAPTUYHQ-MSOLQXFVSA-N 2 1 308.441 2.959 20 0 DFADMP CO[C@H](C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264843 431022891 /nfs/dbraw/zinc/02/28/91/431022891.db2.gz SPAAUSDKYOBMRF-RBUKOAKNSA-N 2 1 317.477 2.841 20 0 DFADMP CO[C@H](C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264843 431022897 /nfs/dbraw/zinc/02/28/97/431022897.db2.gz SPAAUSDKYOBMRF-RBUKOAKNSA-N 2 1 317.477 2.841 20 0 DFADMP CC(C)=CCC[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000662269226 431025725 /nfs/dbraw/zinc/02/57/25/431025725.db2.gz ADTRVLBCXLSXFF-MRXNPFEDSA-N 2 1 302.466 2.721 20 0 DFADMP Cc1cc(C)n([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000652339211 431025916 /nfs/dbraw/zinc/02/59/16/431025916.db2.gz IBOMJNCIMZPBHQ-HXUWFJFHSA-N 2 1 324.472 2.983 20 0 DFADMP Cc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348941 431027889 /nfs/dbraw/zinc/02/78/89/431027889.db2.gz WKZDRGBEZMUSOW-OTWHNJEPSA-N 2 1 302.462 2.756 20 0 DFADMP Fc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(F)F ZINC000662273003 431027950 /nfs/dbraw/zinc/02/79/50/431027950.db2.gz JGPAWXFRWBIPPV-TXEJJXNPSA-N 2 1 314.351 2.859 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348223 431028495 /nfs/dbraw/zinc/02/84/95/431028495.db2.gz YEKLOFKKVIJVHR-HVMFNXBNSA-N 2 1 324.509 2.800 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000649208889 431029285 /nfs/dbraw/zinc/02/92/85/431029285.db2.gz ZAOGJJVFSPUFJO-RHSMWYFYSA-N 2 1 301.434 2.561 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(F)c1OC(F)F ZINC000662275421 431029850 /nfs/dbraw/zinc/02/98/50/431029850.db2.gz ADFSAQVCCLFMHO-GFCCVEGCSA-N 2 1 302.340 2.905 20 0 DFADMP CN(c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1)C1CC1 ZINC000662274454 431030298 /nfs/dbraw/zinc/03/02/98/431030298.db2.gz UIKZJXBYHFTNRZ-ZIAGYGMSSA-N 2 1 320.506 2.563 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CC[NH3+] ZINC000652354746 431030911 /nfs/dbraw/zinc/03/09/11/431030911.db2.gz HFQPJEVXEBSWBU-GOEBONIOSA-N 2 1 320.433 2.634 20 0 DFADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)C2)cc1 ZINC000662277636 431030999 /nfs/dbraw/zinc/03/09/99/431030999.db2.gz RAEYHOFLWFZDPK-RLLQIKCJSA-N 2 1 313.489 2.550 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccccc2F)C1 ZINC000652360376 431032236 /nfs/dbraw/zinc/03/22/36/431032236.db2.gz GHQGYXWWULHCAT-KYJSFNMBSA-N 2 1 322.424 2.565 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H](OC3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662283684 431032332 /nfs/dbraw/zinc/03/23/32/431032332.db2.gz JJXUNEAAOGNPLB-SFHVURJKSA-N 2 1 300.446 2.866 20 0 DFADMP c1coc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295189 431037558 /nfs/dbraw/zinc/03/75/58/431037558.db2.gz FURGUBHGICNGEA-CQSZACIVSA-N 2 1 316.405 2.541 20 0 DFADMP CN(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662295609 431038209 /nfs/dbraw/zinc/03/82/09/431038209.db2.gz VSCCXGFEODRSLT-SFHVURJKSA-N 2 1 301.478 2.834 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662312999 431041682 /nfs/dbraw/zinc/04/16/82/431041682.db2.gz DYIVRDGWQSPMJI-LTIDMASMSA-N 2 1 309.498 2.615 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)CC[C@H]1CCC[NH2+]C1 ZINC000662324426 431045787 /nfs/dbraw/zinc/04/57/87/431045787.db2.gz XRXPHFYSKYNICH-MRXNPFEDSA-N 2 1 306.450 2.786 20 0 DFADMP CSc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662326657 431048943 /nfs/dbraw/zinc/04/89/43/431048943.db2.gz YJLZSSBZSUDYHO-INIZCTEOSA-N 2 1 308.491 2.951 20 0 DFADMP CSc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662326657 431048948 /nfs/dbraw/zinc/04/89/48/431048948.db2.gz YJLZSSBZSUDYHO-INIZCTEOSA-N 2 1 308.491 2.951 20 0 DFADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326319 431049179 /nfs/dbraw/zinc/04/91/79/431049179.db2.gz RHLDBVUZFHVWMU-GXTWGEPZSA-N 2 1 308.388 2.808 20 0 DFADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@@H](CC(F)(F)F)O1 ZINC000662326322 431049401 /nfs/dbraw/zinc/04/94/01/431049401.db2.gz RHLDBVUZFHVWMU-TZMCWYRMSA-N 2 1 308.388 2.808 20 0 DFADMP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000649293578 431057424 /nfs/dbraw/zinc/05/74/24/431057424.db2.gz YXPMOVNSSSTBDQ-IOASZLSFSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000649293578 431057429 /nfs/dbraw/zinc/05/74/29/431057429.db2.gz YXPMOVNSSSTBDQ-IOASZLSFSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000649311541 431062488 /nfs/dbraw/zinc/06/24/88/431062488.db2.gz YIXZUVHFLQXOIZ-MRLCAUJQSA-N 2 1 321.509 2.617 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)c2C1 ZINC000649312854 431066147 /nfs/dbraw/zinc/06/61/47/431066147.db2.gz DCTDIRGQTHCUPA-AWEZNQCLSA-N 2 1 323.387 2.596 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH2+]CCC3(F)F)c2C1 ZINC000649312854 431066148 /nfs/dbraw/zinc/06/61/48/431066148.db2.gz DCTDIRGQTHCUPA-AWEZNQCLSA-N 2 1 323.387 2.596 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000649331821 431067418 /nfs/dbraw/zinc/06/74/18/431067418.db2.gz YVCXMPGPSXZUKI-QQFBHYJXSA-N 2 1 309.498 2.521 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000662388906 431068449 /nfs/dbraw/zinc/06/84/49/431068449.db2.gz PWMXAHCBGRKIJQ-SJORKVTESA-N 2 1 311.514 2.768 20 0 DFADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249216 431013430 /nfs/dbraw/zinc/01/34/30/431013430.db2.gz JRQMBZPEBHYILF-GFCCVEGCSA-N 2 1 315.244 2.946 20 0 DFADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249925 431015272 /nfs/dbraw/zinc/01/52/72/431015272.db2.gz VLICTKVZKJHBQI-MAUKXSAKSA-N 2 1 300.446 2.808 20 0 DFADMP Clc1ccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250281 431016996 /nfs/dbraw/zinc/01/69/96/431016996.db2.gz DAZHTVIBLHNIIK-MRXNPFEDSA-N 2 1 306.837 2.825 20 0 DFADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000645502408 431018161 /nfs/dbraw/zinc/01/81/61/431018161.db2.gz GCDVSIIDBOQSNV-VKJFTORMSA-N 2 1 315.461 2.855 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1c1ccccc1 ZINC000662257538 431018831 /nfs/dbraw/zinc/01/88/31/431018831.db2.gz POTRFTZIJIJPKU-BPQIPLTHSA-N 2 1 300.446 2.633 20 0 DFADMP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259132 431019057 /nfs/dbraw/zinc/01/90/57/431019057.db2.gz QRIRJTWYSMAUBP-CHWSQXEVSA-N 2 1 317.458 2.810 20 0 DFADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259132 431019058 /nfs/dbraw/zinc/01/90/58/431019058.db2.gz QRIRJTWYSMAUBP-CHWSQXEVSA-N 2 1 317.458 2.810 20 0 DFADMP CC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655754523 431115858 /nfs/dbraw/zinc/11/58/58/431115858.db2.gz AIZRFJMATQKUBP-JSGCOSHPSA-N 2 1 308.388 2.950 20 0 DFADMP Cc1csc([C@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000655754322 431117205 /nfs/dbraw/zinc/11/72/05/431117205.db2.gz UFHUBJZVBFHVGZ-CZUORRHYSA-N 2 1 323.506 2.788 20 0 DFADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C[C@@H]1CCCCO1 ZINC000655755121 431117301 /nfs/dbraw/zinc/11/73/01/431117301.db2.gz PLFBJSLGAGLIHL-ZWKOTPCHSA-N 2 1 310.482 2.569 20 0 DFADMP FC(F)c1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655754597 431117337 /nfs/dbraw/zinc/11/73/37/431117337.db2.gz GCZHKYODFBFQJG-INIZCTEOSA-N 2 1 310.388 2.967 20 0 DFADMP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655758765 431119673 /nfs/dbraw/zinc/11/96/73/431119673.db2.gz ZTIYZCDAZPPQGU-IEBWSBKVSA-N 2 1 324.509 2.551 20 0 DFADMP c1cc(C2CC2)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655760148 431120367 /nfs/dbraw/zinc/12/03/67/431120367.db2.gz KUBMIMCWCDIXOX-LJQANCHMSA-N 2 1 300.446 2.907 20 0 DFADMP FC1(F)CCC[C@@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655763113 431121963 /nfs/dbraw/zinc/12/19/63/431121963.db2.gz LFRRRXZMHZGNJM-UKRRQHHQSA-N 2 1 302.409 2.655 20 0 DFADMP FC1(F)CCC(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655763554 431122011 /nfs/dbraw/zinc/12/20/11/431122011.db2.gz QATAVFNFMIKWQU-HNNXBMFYSA-N 2 1 302.409 2.655 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000645941630 431123963 /nfs/dbraw/zinc/12/39/63/431123963.db2.gz ABWHJTCSFQKHPH-ZACQAIPSSA-N 2 1 318.465 2.653 20 0 DFADMP FC1(F)CC[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655765076 431124970 /nfs/dbraw/zinc/12/49/70/431124970.db2.gz YGIKTTXBQJGNKA-DZGCQCFKSA-N 2 1 302.409 2.655 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(F)(F)F ZINC000655764091 431125069 /nfs/dbraw/zinc/12/50/69/431125069.db2.gz VLLRHKBDGSWHGW-CYBMUJFWSA-N 2 1 308.388 2.808 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000649340912 431071461 /nfs/dbraw/zinc/07/14/61/431071461.db2.gz AMILREJCCAWCOT-CZUORRHYSA-N 2 1 323.506 2.765 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000662589351 431125209 /nfs/dbraw/zinc/12/52/09/431125209.db2.gz BMZUILMLKLTFSM-DOTOQJQBSA-N 2 1 317.477 2.703 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662428493 431078889 /nfs/dbraw/zinc/07/88/89/431078889.db2.gz CICPVJZLEQZAPS-MRXNPFEDSA-N 2 1 315.461 2.674 20 0 DFADMP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000655683895 431080549 /nfs/dbraw/zinc/08/05/49/431080549.db2.gz XCPUSCKPXHDIPI-MAUKXSAKSA-N 2 1 320.502 2.893 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000649378640 431081244 /nfs/dbraw/zinc/08/12/44/431081244.db2.gz PWUCBOIBZCNLED-MRXNPFEDSA-N 2 1 321.509 2.761 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2([NH3+])CCCC2)CC1 ZINC000649378639 431081324 /nfs/dbraw/zinc/08/13/24/431081324.db2.gz PWUCBOIBZCNLED-INIZCTEOSA-N 2 1 321.509 2.761 20 0 DFADMP c1ccc(OCCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655685704 431082776 /nfs/dbraw/zinc/08/27/76/431082776.db2.gz LOIHAHUQVSWHGH-GOSISDBHSA-N 2 1 318.461 2.689 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662448857 431083054 /nfs/dbraw/zinc/08/30/54/431083054.db2.gz QSVQGTFWTAFFCT-FUHWJXTLSA-N 2 1 324.428 2.590 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000649382196 431083446 /nfs/dbraw/zinc/08/34/46/431083446.db2.gz TWTMDGALMOUZKM-URZUPRTMSA-N 2 1 313.489 2.802 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000649382193 431084279 /nfs/dbraw/zinc/08/42/79/431084279.db2.gz TWTMDGALMOUZKM-CSBXVMIQSA-N 2 1 313.489 2.802 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662458461 431087709 /nfs/dbraw/zinc/08/77/09/431087709.db2.gz MKWZTHVWMWORHJ-SJLPKXTDSA-N 2 1 315.461 2.602 20 0 DFADMP Clc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000655699823 431087817 /nfs/dbraw/zinc/08/78/17/431087817.db2.gz BUDOFAVIGBMQDD-ZDUSSCGKSA-N 2 1 314.882 2.787 20 0 DFADMP Clc1ccccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655703238 431090223 /nfs/dbraw/zinc/09/02/23/431090223.db2.gz NVVFZRNVJWPZFO-INIZCTEOSA-N 2 1 308.853 2.725 20 0 DFADMP C(COC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655702019 431090919 /nfs/dbraw/zinc/09/09/19/431090919.db2.gz NJNXCSVNTWOUCY-GOSISDBHSA-N 2 1 310.482 2.569 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655708157 431091847 /nfs/dbraw/zinc/09/18/47/431091847.db2.gz FRJHWVXAXJUAEU-SFHVURJKSA-N 2 1 320.452 2.946 20 0 DFADMP c1ccc2c(c1)C[C@@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655708378 431092298 /nfs/dbraw/zinc/09/22/98/431092298.db2.gz ILGVOZNOHZVDDP-AEFFLSMTSA-N 2 1 300.446 2.559 20 0 DFADMP CC(C)c1nc2c(n1C)CC[N@@H+](CCCC1CC[NH2+]CC1)C2 ZINC000649412875 431092860 /nfs/dbraw/zinc/09/28/60/431092860.db2.gz CHNRYQOZOOQPQX-UHFFFAOYSA-N 2 1 304.482 2.681 20 0 DFADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000649413041 431093986 /nfs/dbraw/zinc/09/39/86/431093986.db2.gz JDRWTNMXYFBBHY-QGZVFWFLSA-N 2 1 304.482 2.954 20 0 DFADMP c1cnc2ccc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc2c1 ZINC000655764981 431125793 /nfs/dbraw/zinc/12/57/93/431125793.db2.gz WKFPFWGJLNPAAD-SFHVURJKSA-N 2 1 311.429 2.578 20 0 DFADMP c1ccc(NC[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000649414652 431095467 /nfs/dbraw/zinc/09/54/67/431095467.db2.gz OOXQMVKLMNASEA-KRWDZBQOSA-N 2 1 302.466 2.595 20 0 DFADMP CCc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655716613 431095843 /nfs/dbraw/zinc/09/58/43/431095843.db2.gz ZHKQOHOEEFWFGC-LJQANCHMSA-N 2 1 302.462 2.982 20 0 DFADMP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655716466 431096285 /nfs/dbraw/zinc/09/62/85/431096285.db2.gz YDUDMSFNZNLZNE-QFBILLFUSA-N 2 1 302.462 2.941 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000649414504 431096970 /nfs/dbraw/zinc/09/69/70/431096970.db2.gz CIECHEYLIFNODQ-QGZVFWFLSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000649414504 431096974 /nfs/dbraw/zinc/09/69/74/431096974.db2.gz CIECHEYLIFNODQ-QGZVFWFLSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000649414504 431096978 /nfs/dbraw/zinc/09/69/78/431096978.db2.gz CIECHEYLIFNODQ-QGZVFWFLSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1ccccc1O[C@@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655720227 431099283 /nfs/dbraw/zinc/09/92/83/431099283.db2.gz QNOJKONQYXIQOP-WMZOPIPTSA-N 2 1 318.461 2.605 20 0 DFADMP Oc1ccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655722312 431099905 /nfs/dbraw/zinc/09/99/05/431099905.db2.gz BXVJJFBDXJFMQP-IBGZPJMESA-N 2 1 318.461 2.558 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000655721772 431099997 /nfs/dbraw/zinc/09/99/97/431099997.db2.gz RHELYMIOBDJGBZ-CYBMUJFWSA-N 2 1 304.413 2.750 20 0 DFADMP OCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655723140 431100594 /nfs/dbraw/zinc/10/05/94/431100594.db2.gz IBHQMWCMBLWXNM-RBUKOAKNSA-N 2 1 324.509 2.551 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000655733153 431105372 /nfs/dbraw/zinc/10/53/72/431105372.db2.gz JFJWAWKKRVHHLF-OAHLLOKOSA-N 2 1 324.852 2.692 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000655733339 431105571 /nfs/dbraw/zinc/10/55/71/431105571.db2.gz LJPFUBSWWGNPSW-QZTJIDSGSA-N 2 1 322.493 2.711 20 0 DFADMP Cc1cccc(C)c1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655732412 431106726 /nfs/dbraw/zinc/10/67/26/431106726.db2.gz ATARJVAURODPEW-SFHVURJKSA-N 2 1 302.462 2.689 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662594454 431129167 /nfs/dbraw/zinc/12/91/67/431129167.db2.gz SSXIUSDRKVLYDU-HZPDHXFCSA-N 2 1 309.498 2.521 20 0 DFADMP CC(C)N1CCCC[C@H]1C[N@@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000649501358 431126984 /nfs/dbraw/zinc/12/69/84/431126984.db2.gz HHBQOTZUBCEEFS-IRXDYDNUSA-N 2 1 304.482 2.640 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@H]1CN(C)C[C@H]1CCn2ccnc2C1 ZINC000649501358 431126989 /nfs/dbraw/zinc/12/69/89/431126989.db2.gz HHBQOTZUBCEEFS-IRXDYDNUSA-N 2 1 304.482 2.640 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)C[C@H]1CCn2ccnc2C1 ZINC000649501358 431126994 /nfs/dbraw/zinc/12/69/94/431126994.db2.gz HHBQOTZUBCEEFS-IRXDYDNUSA-N 2 1 304.482 2.640 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000360955824 279122586 /nfs/dbraw/zinc/12/25/86/279122586.db2.gz DGSXFRIDNGQIAD-OKZBNKHCSA-N 2 1 323.525 2.735 20 0 DFADMP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655775053 431132442 /nfs/dbraw/zinc/13/24/42/431132442.db2.gz NSZLUTRSHLDURV-KZNAEPCWSA-N 2 1 310.482 2.567 20 0 DFADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655773058 431133857 /nfs/dbraw/zinc/13/38/57/431133857.db2.gz WYMUWNWXCLDFRV-UHOSZYNNSA-N 2 1 324.509 2.671 20 0 DFADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621058 279212591 /nfs/dbraw/zinc/21/25/91/279212591.db2.gz FHWBPSFYSAIUJN-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621058 279212593 /nfs/dbraw/zinc/21/25/93/279212593.db2.gz FHWBPSFYSAIUJN-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621058 279212594 /nfs/dbraw/zinc/21/25/94/279212594.db2.gz FHWBPSFYSAIUJN-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621058 279212596 /nfs/dbraw/zinc/21/25/96/279212596.db2.gz FHWBPSFYSAIUJN-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1)CC(F)(F)F ZINC000124944758 279221921 /nfs/dbraw/zinc/22/19/21/279221921.db2.gz PTNXZBYJELGRMM-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000124944758 279221922 /nfs/dbraw/zinc/22/19/22/279221922.db2.gz PTNXZBYJELGRMM-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1)CC(F)(F)F ZINC000124944758 279221923 /nfs/dbraw/zinc/22/19/23/279221923.db2.gz PTNXZBYJELGRMM-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000666172100 431136901 /nfs/dbraw/zinc/13/69/01/431136901.db2.gz ANYCFRLNYLOVBI-OLZOCXBDSA-N 2 1 303.406 2.916 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)n1 ZINC000371449890 279251958 /nfs/dbraw/zinc/25/19/58/279251958.db2.gz IWGOJKXJONLRDQ-SOCLWGNMSA-N 2 1 306.454 2.723 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266423 279277692 /nfs/dbraw/zinc/27/76/92/279277692.db2.gz NMDURNVAMONPIO-ZWKOTPCHSA-N 2 1 317.477 2.588 20 0 DFADMP CCN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662693874 431166051 /nfs/dbraw/zinc/16/60/51/431166051.db2.gz MKUQPRJFOBIGMI-RDJZCZTQSA-N 2 1 315.461 2.552 20 0 DFADMP COCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000655817232 431166249 /nfs/dbraw/zinc/16/62/49/431166249.db2.gz JCQIJLBSSCCCOW-WMZOPIPTSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000646071465 431168037 /nfs/dbraw/zinc/16/80/37/431168037.db2.gz NWRIEGGBHWNMQJ-YOEHRIQHSA-N 2 1 323.506 2.635 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646074429 431171302 /nfs/dbraw/zinc/17/13/02/431171302.db2.gz XPPJHCFRNBFGBD-MOPGFXCFSA-N 2 1 313.445 2.650 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646074429 431171307 /nfs/dbraw/zinc/17/13/07/431171307.db2.gz XPPJHCFRNBFGBD-MOPGFXCFSA-N 2 1 313.445 2.650 20 0 DFADMP CC[C@@H](CC(F)F)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000659892136 431176114 /nfs/dbraw/zinc/17/61/14/431176114.db2.gz RWZBIDSDCBJWKE-KGLIPLIRSA-N 2 1 306.441 2.692 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CCC1 ZINC000659944098 431201500 /nfs/dbraw/zinc/20/15/00/431201500.db2.gz QFJINDGQTAKCJJ-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CCC1 ZINC000659944098 431201506 /nfs/dbraw/zinc/20/15/06/431201506.db2.gz QFJINDGQTAKCJJ-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655838334 431179438 /nfs/dbraw/zinc/17/94/38/431179438.db2.gz AEMZWMNWDGLMBL-BRWVUGGUSA-N 2 1 310.482 2.566 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000659901145 431181132 /nfs/dbraw/zinc/18/11/32/431181132.db2.gz UGTWBHGFUDDEES-JFIYKMOQSA-N 2 1 304.482 2.806 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCCO1 ZINC000655847681 431183119 /nfs/dbraw/zinc/18/31/19/431183119.db2.gz YDYHLEWEDJAPMV-BZSNNMDCSA-N 2 1 310.482 2.567 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3CCC[C@H](O)C3)C2)c1 ZINC000659906232 431184404 /nfs/dbraw/zinc/18/44/04/431184404.db2.gz HASQNAJKNXPVBX-IKGGRYGDSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC[C@H](O)C3)C2)c1 ZINC000659906232 431184410 /nfs/dbraw/zinc/18/44/10/431184410.db2.gz HASQNAJKNXPVBX-IKGGRYGDSA-N 2 1 303.450 2.675 20 0 DFADMP COCC[C@H](c1ccccc1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105839 431188989 /nfs/dbraw/zinc/18/89/89/431188989.db2.gz JMHSTQXBCOHTAL-GOSISDBHSA-N 2 1 318.461 2.561 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3ncccc3c1)CCO2 ZINC000646105861 431189641 /nfs/dbraw/zinc/18/96/41/431189641.db2.gz KBXULXWEXPAKRE-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCc1cccc(F)c1)CCO2 ZINC000646106475 431189744 /nfs/dbraw/zinc/18/97/44/431189744.db2.gz ZYYYXEXHLLEJTQ-UHFFFAOYSA-N 2 1 306.425 2.555 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCCOc1ccccc1)CCO2 ZINC000646104507 431190315 /nfs/dbraw/zinc/19/03/15/431190315.db2.gz OOTCHUZJVLBVSL-UHFFFAOYSA-N 2 1 318.461 2.642 20 0 DFADMP [NH3+][C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668546 431156203 /nfs/dbraw/zinc/15/62/03/431156203.db2.gz OOPFMQILKYVBRF-FUHWJXTLSA-N 2 1 315.461 2.600 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655805799 431157111 /nfs/dbraw/zinc/15/71/11/431157111.db2.gz SFINXLLBJIGEBD-IJXRJRJASA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655805799 431157119 /nfs/dbraw/zinc/15/71/19/431157119.db2.gz SFINXLLBJIGEBD-IJXRJRJASA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805584 431157157 /nfs/dbraw/zinc/15/71/57/431157157.db2.gz JESCUEJUCNWIDU-RSPOEFSDSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805584 431157161 /nfs/dbraw/zinc/15/71/61/431157161.db2.gz JESCUEJUCNWIDU-RSPOEFSDSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662667889 431157237 /nfs/dbraw/zinc/15/72/37/431157237.db2.gz DXWDNGLZWIAOPF-IXDOHACOSA-N 2 1 321.509 2.535 20 0 DFADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000666353043 431203095 /nfs/dbraw/zinc/20/30/95/431203095.db2.gz QMDLBORNYOGXTC-OALUTQOASA-N 2 1 301.478 2.896 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000649624857 431204987 /nfs/dbraw/zinc/20/49/87/431204987.db2.gz IHOZYXQCTFLJOR-UHFFFAOYSA-N 2 1 320.452 2.585 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000655940286 431226615 /nfs/dbraw/zinc/22/66/15/431226615.db2.gz QHQIYXPOUPHQCY-HNNXBMFYSA-N 2 1 319.840 2.536 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662892893 431230301 /nfs/dbraw/zinc/23/03/01/431230301.db2.gz OMMZLIBIKHQZOS-BZUAXINKSA-N 2 1 320.481 2.763 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660013406 431233447 /nfs/dbraw/zinc/23/34/47/431233447.db2.gz XEDAXKXARXRJBX-IYWMVGAKSA-N 2 1 314.473 2.886 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)C1 ZINC000660074806 431258622 /nfs/dbraw/zinc/25/86/22/431258622.db2.gz QMAFGRSGJCZGEQ-ZWKOTPCHSA-N 2 1 307.526 2.915 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)C1CCCCC1 ZINC000660118442 431276565 /nfs/dbraw/zinc/27/65/65/431276565.db2.gz UYOOKTZGWVLOOS-INDMIFKZSA-N 2 1 324.509 2.765 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000660165180 431298701 /nfs/dbraw/zinc/29/87/01/431298701.db2.gz UQYRHLSKWYQDTD-KEYYUXOJSA-N 2 1 308.441 2.834 20 0 DFADMP Cc1ccccc1CN1CCC[N@H+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666619072 431300195 /nfs/dbraw/zinc/30/01/95/431300195.db2.gz UMVGHZXBOPZPNO-RTBURBONSA-N 2 1 315.505 2.891 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1CCCCC1 ZINC000653200636 431306329 /nfs/dbraw/zinc/30/63/29/431306329.db2.gz KZAJUVBXPNHEGX-WBVHZDCISA-N 2 1 311.514 2.767 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000653200714 431306568 /nfs/dbraw/zinc/30/65/68/431306568.db2.gz MYWFPCSOUWDCDW-RDJZCZTQSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H]1C[C@H](Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[N@@H+]1C ZINC000656128723 431272973 /nfs/dbraw/zinc/27/29/73/431272973.db2.gz DDIIZIQPKHHHQE-LSDHHAIUSA-N 2 1 317.481 2.998 20 0 DFADMP C[C@H]1C[C@H](Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[N@H+]1C ZINC000656128723 431272979 /nfs/dbraw/zinc/27/29/79/431272979.db2.gz DDIIZIQPKHHHQE-LSDHHAIUSA-N 2 1 317.481 2.998 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660248525 431340141 /nfs/dbraw/zinc/34/01/41/431340141.db2.gz ICVIAKFXBGLQFE-PKOBYXMFSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660248525 431340147 /nfs/dbraw/zinc/34/01/47/431340147.db2.gz ICVIAKFXBGLQFE-PKOBYXMFSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660248525 431340156 /nfs/dbraw/zinc/34/01/56/431340156.db2.gz ICVIAKFXBGLQFE-PKOBYXMFSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660248525 431340162 /nfs/dbraw/zinc/34/01/62/431340162.db2.gz ICVIAKFXBGLQFE-PKOBYXMFSA-N 2 1 304.478 2.794 20 0 DFADMP [NH3+][C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[C@H]1F ZINC000663277203 431351416 /nfs/dbraw/zinc/35/14/16/431351416.db2.gz VOXGKGWJJWTAES-VXGBXAGGSA-N 2 1 324.197 2.873 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)C[N@H+]2CC[C@H](C)C2)c1 ZINC000646653340 431362239 /nfs/dbraw/zinc/36/22/39/431362239.db2.gz AGVDYVLLNSDPAL-HNNXBMFYSA-N 2 1 303.450 2.809 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291147 431362977 /nfs/dbraw/zinc/36/29/77/431362977.db2.gz VLWGRKDKHFPANM-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291147 431362981 /nfs/dbraw/zinc/36/29/81/431362981.db2.gz VLWGRKDKHFPANM-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291147 431362986 /nfs/dbraw/zinc/36/29/86/431362986.db2.gz VLWGRKDKHFPANM-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP c1cc2c(c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c1)OCO2 ZINC000663347462 431377791 /nfs/dbraw/zinc/37/77/91/431377791.db2.gz LJTSJCHORAGCJC-HNNXBMFYSA-N 2 1 302.418 2.627 20 0 DFADMP c1cc2c(c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)c1)OCO2 ZINC000663347462 431377798 /nfs/dbraw/zinc/37/77/98/431377798.db2.gz LJTSJCHORAGCJC-HNNXBMFYSA-N 2 1 302.418 2.627 20 0 DFADMP COc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1OC(F)F ZINC000666855362 431386915 /nfs/dbraw/zinc/38/69/15/431386915.db2.gz NTFBGIXGPUJZHL-LBPRGKRZSA-N 2 1 300.349 2.528 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857925 431387108 /nfs/dbraw/zinc/38/71/08/431387108.db2.gz QECNQBPKLVTYIA-SFHVURJKSA-N 2 1 311.429 2.989 20 0 DFADMP CC[C@@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663369225 431390470 /nfs/dbraw/zinc/39/04/70/431390470.db2.gz ZESZMGJRWMQRDA-QZTJIDSGSA-N 2 1 302.462 2.649 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(NCCC3(C[NH3+])CC3)n2)C1 ZINC000653472059 431390979 /nfs/dbraw/zinc/39/09/79/431390979.db2.gz DYSJHFZTWSOETL-UHFFFAOYSA-N 2 1 303.454 2.644 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998109 431440964 /nfs/dbraw/zinc/44/09/64/431440964.db2.gz BKFFUVWRDCLBQF-QGZVFWFLSA-N 2 1 310.445 2.945 20 0 DFADMP COc1cc2c(c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c1)O[C@H](C)C2 ZINC000666998538 431441044 /nfs/dbraw/zinc/44/10/44/431441044.db2.gz ZRGIYAFMIBSSSH-CJNGLKHVSA-N 2 1 316.445 2.783 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660463709 431442048 /nfs/dbraw/zinc/44/20/48/431442048.db2.gz GBBRLQNAKHMWMJ-QGZVFWFLSA-N 2 1 323.525 2.689 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497635 431442439 /nfs/dbraw/zinc/44/24/39/431442439.db2.gz IOONCUVCPRTNLO-TZGCNFNXSA-N 2 1 315.461 2.869 20 0 DFADMP CCOc1c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(C)nn1CC(C)C ZINC000663499388 431446404 /nfs/dbraw/zinc/44/64/04/431446404.db2.gz ZJLKXPKIUGAUMA-MRXNPFEDSA-N 2 1 310.486 2.709 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000663503006 431448967 /nfs/dbraw/zinc/44/89/67/431448967.db2.gz LIFGQAZLTMGEEU-HOTGVXAUSA-N 2 1 306.450 2.784 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660476711 431449734 /nfs/dbraw/zinc/44/97/34/431449734.db2.gz FDUHLTOLLCFQAF-HXUWFJFHSA-N 2 1 316.489 2.978 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000647084391 431455784 /nfs/dbraw/zinc/45/57/84/431455784.db2.gz WPVZNUQWDGXZGG-SJLPKXTDSA-N 2 1 317.477 2.630 20 0 DFADMP CCC[C@@H](NC[C@@H](O)C[N@@H+](C)CC)c1ccc(F)cc1F ZINC000653607064 431457769 /nfs/dbraw/zinc/45/77/69/431457769.db2.gz RNGLNQRVZZLTTI-CZUORRHYSA-N 2 1 300.393 2.708 20 0 DFADMP CC(C)[C@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660536216 431477760 /nfs/dbraw/zinc/47/77/60/431477760.db2.gz FNDRTWTWPVGMIF-ICSRJNTNSA-N 2 1 315.505 2.923 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C12CCCC2 ZINC000366730054 279870786 /nfs/dbraw/zinc/87/07/86/279870786.db2.gz NJUVJXWBNMFNMJ-HRCADAONSA-N 2 1 303.450 2.773 20 0 DFADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000663468554 431435324 /nfs/dbraw/zinc/43/53/24/431435324.db2.gz MBYYMOXIYHDUCV-NRSFXHEJSA-N 2 1 306.494 2.902 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCc2cncn2C)C1 ZINC000653556728 431436851 /nfs/dbraw/zinc/43/68/51/431436851.db2.gz FVYUIDIYCPLMCO-ROUUACIJSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCc2cncn2C)C1 ZINC000653556728 431436860 /nfs/dbraw/zinc/43/68/60/431436860.db2.gz FVYUIDIYCPLMCO-ROUUACIJSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000653556728 431436863 /nfs/dbraw/zinc/43/68/63/431436863.db2.gz FVYUIDIYCPLMCO-ROUUACIJSA-N 2 1 318.509 2.939 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614790 431516787 /nfs/dbraw/zinc/51/67/87/431516787.db2.gz AFQCWTYFKQLUNH-INIZCTEOSA-N 2 1 324.371 2.578 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614790 431516791 /nfs/dbraw/zinc/51/67/91/431516791.db2.gz AFQCWTYFKQLUNH-INIZCTEOSA-N 2 1 324.371 2.578 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614790 431516797 /nfs/dbraw/zinc/51/67/97/431516797.db2.gz AFQCWTYFKQLUNH-INIZCTEOSA-N 2 1 324.371 2.578 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614790 431516800 /nfs/dbraw/zinc/51/68/00/431516800.db2.gz AFQCWTYFKQLUNH-INIZCTEOSA-N 2 1 324.371 2.578 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000656783900 431519277 /nfs/dbraw/zinc/51/92/77/431519277.db2.gz BCNGMTIHNOSSTA-SFHVURJKSA-N 2 1 300.446 2.833 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656783357 431519371 /nfs/dbraw/zinc/51/93/71/431519371.db2.gz PWJALFULLALBTF-GOSISDBHSA-N 2 1 316.493 2.749 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000656784326 431520032 /nfs/dbraw/zinc/52/00/32/431520032.db2.gz COFCIYYGUMCZBX-QGZVFWFLSA-N 2 1 318.461 2.915 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CCCC1 ZINC000656788380 431524341 /nfs/dbraw/zinc/52/43/41/431524341.db2.gz MBBPMYZREIMAMO-UHFFFAOYSA-N 2 1 302.340 2.989 20 0 DFADMP COc1sc(C[NH2+]CC2([NH3+])CCCC2)cc1Br ZINC000656788949 431525849 /nfs/dbraw/zinc/52/58/49/431525849.db2.gz GWINNUKYWXPKGC-UHFFFAOYSA-N 2 1 319.268 2.880 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)(C)O ZINC000647178527 431495976 /nfs/dbraw/zinc/49/59/76/431495976.db2.gz XJYKLGFHCSTKMG-DOTOQJQBSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)(C)O ZINC000647178527 431495995 /nfs/dbraw/zinc/49/59/95/431495995.db2.gz XJYKLGFHCSTKMG-DOTOQJQBSA-N 2 1 302.462 2.933 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000653701984 431497023 /nfs/dbraw/zinc/49/70/23/431497023.db2.gz LMCIDAOGMJAIBW-SFHVURJKSA-N 2 1 313.445 2.846 20 0 DFADMP COc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C(C)(C)C)cc1 ZINC000660564100 431497175 /nfs/dbraw/zinc/49/71/75/431497175.db2.gz YZILZACYDLPYLQ-QGZVFWFLSA-N 2 1 322.493 2.997 20 0 DFADMP COc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)(C)C)cc1 ZINC000660564100 431497180 /nfs/dbraw/zinc/49/71/80/431497180.db2.gz YZILZACYDLPYLQ-QGZVFWFLSA-N 2 1 322.493 2.997 20 0 DFADMP COc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)(C)C)cc1 ZINC000660564100 431497182 /nfs/dbraw/zinc/49/71/82/431497182.db2.gz YZILZACYDLPYLQ-QGZVFWFLSA-N 2 1 322.493 2.997 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647188212 431503014 /nfs/dbraw/zinc/50/30/14/431503014.db2.gz WGKIDJVVOPGDAT-IPMKNSEASA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647188212 431503020 /nfs/dbraw/zinc/50/30/20/431503020.db2.gz WGKIDJVVOPGDAT-IPMKNSEASA-N 2 1 314.473 2.934 20 0 DFADMP CCC[NH+]1CCC(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000647344625 431558982 /nfs/dbraw/zinc/55/89/82/431558982.db2.gz VTDHRHDAOQUSAC-QUCCMNQESA-N 2 1 315.505 2.796 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660661313 431534422 /nfs/dbraw/zinc/53/44/22/431534422.db2.gz CFKZDEFYOGGNJG-QRQLOZEOSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660661313 431534428 /nfs/dbraw/zinc/53/44/28/431534428.db2.gz CFKZDEFYOGGNJG-QRQLOZEOSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660661313 431534432 /nfs/dbraw/zinc/53/44/32/431534432.db2.gz CFKZDEFYOGGNJG-QRQLOZEOSA-N 2 1 302.462 2.569 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660658831 431534460 /nfs/dbraw/zinc/53/44/60/431534460.db2.gz HTEVRNUWKNJGNB-IBGZPJMESA-N 2 1 312.461 2.534 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660658831 431534463 /nfs/dbraw/zinc/53/44/63/431534463.db2.gz HTEVRNUWKNJGNB-IBGZPJMESA-N 2 1 312.461 2.534 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660658831 431534468 /nfs/dbraw/zinc/53/44/68/431534468.db2.gz HTEVRNUWKNJGNB-IBGZPJMESA-N 2 1 312.461 2.534 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661262 431535188 /nfs/dbraw/zinc/53/51/88/431535188.db2.gz BZKZTPSRWNWLOW-ROUUACIJSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661262 431535194 /nfs/dbraw/zinc/53/51/94/431535194.db2.gz BZKZTPSRWNWLOW-ROUUACIJSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661262 431535203 /nfs/dbraw/zinc/53/52/03/431535203.db2.gz BZKZTPSRWNWLOW-ROUUACIJSA-N 2 1 322.880 2.661 20 0 DFADMP CC[C@@](C)(CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647297803 431541467 /nfs/dbraw/zinc/54/14/67/431541467.db2.gz GLQWFOWXYGIQSS-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@@](C)(CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647297803 431541474 /nfs/dbraw/zinc/54/14/74/431541474.db2.gz GLQWFOWXYGIQSS-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP CCn1nccc1CC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660677708 431544166 /nfs/dbraw/zinc/54/41/66/431544166.db2.gz OLDNOXVWCNSDNF-UHFFFAOYSA-N 2 1 312.461 2.700 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@@H+](C)C3(CCCCC3)C2)C1 ZINC000660673391 431545558 /nfs/dbraw/zinc/54/55/58/431545558.db2.gz SJVOTROXZXKESR-QZTJIDSGSA-N 2 1 307.526 2.915 20 0 DFADMP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCCC[C@H]1OC ZINC000660724867 431566215 /nfs/dbraw/zinc/56/62/15/431566215.db2.gz HZIWZZXMXPIFMC-RCCFBDPRSA-N 2 1 314.514 2.747 20 0 DFADMP CCCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCCC[C@H]1OC ZINC000660724867 431566218 /nfs/dbraw/zinc/56/62/18/431566218.db2.gz HZIWZZXMXPIFMC-RCCFBDPRSA-N 2 1 314.514 2.747 20 0 DFADMP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCCC[C@H]1OC ZINC000660724867 431566222 /nfs/dbraw/zinc/56/62/22/431566222.db2.gz HZIWZZXMXPIFMC-RCCFBDPRSA-N 2 1 314.514 2.747 20 0 DFADMP CC[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128491563 280162256 /nfs/dbraw/zinc/16/22/56/280162256.db2.gz ZMHPDOZGMJFYEE-IBGZPJMESA-N 2 1 303.494 2.625 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354632306 280174529 /nfs/dbraw/zinc/17/45/29/280174529.db2.gz LYTHRPVNRUVCSL-FGTMMUONSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+](C3CC3)C3CC[NH2+]CC3)cnc21 ZINC000647482950 431601374 /nfs/dbraw/zinc/60/13/74/431601374.db2.gz MMEMCJMZFGVOPI-UHFFFAOYSA-N 2 1 313.449 2.729 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cnc21 ZINC000647482950 431601380 /nfs/dbraw/zinc/60/13/80/431601380.db2.gz MMEMCJMZFGVOPI-UHFFFAOYSA-N 2 1 313.449 2.729 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480397 431602164 /nfs/dbraw/zinc/60/21/64/431602164.db2.gz MHLGPUUYTQLCRR-DOTOQJQBSA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480397 431602169 /nfs/dbraw/zinc/60/21/69/431602169.db2.gz MHLGPUUYTQLCRR-DOTOQJQBSA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480400 431604304 /nfs/dbraw/zinc/60/43/04/431604304.db2.gz MHLGPUUYTQLCRR-WBVHZDCISA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480400 431604309 /nfs/dbraw/zinc/60/43/09/431604309.db2.gz MHLGPUUYTQLCRR-WBVHZDCISA-N 2 1 301.434 2.609 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657293475 431652145 /nfs/dbraw/zinc/65/21/45/431652145.db2.gz NVUPBYKHTGFTQF-MRXNPFEDSA-N 2 1 313.449 2.621 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)C1 ZINC000650706107 431652801 /nfs/dbraw/zinc/65/28/01/431652801.db2.gz DIBIOVQFJKWPRW-JGGQBBKZSA-N 2 1 310.388 2.683 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC000650707080 431653020 /nfs/dbraw/zinc/65/30/20/431653020.db2.gz YDBQHQPLNPAWRU-BQFCYCMXSA-N 2 1 306.425 2.852 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705532 431654318 /nfs/dbraw/zinc/65/43/18/431654318.db2.gz KORYBVZDMRMLSA-YQVWRLOYSA-N 2 1 318.461 2.804 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657294350 431654454 /nfs/dbraw/zinc/65/44/54/431654454.db2.gz NWHAEGNSWYMFLV-IBGZPJMESA-N 2 1 318.461 2.817 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000650706396 431655146 /nfs/dbraw/zinc/65/51/46/431655146.db2.gz JRRLORKYYZXBPK-VAMGGRTRSA-N 2 1 314.473 2.894 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1CC[NH3+] ZINC000650711109 431656210 /nfs/dbraw/zinc/65/62/10/431656210.db2.gz ITZVOTVNMQJBSG-CJNGLKHVSA-N 2 1 304.463 2.883 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNCc1cnc2n1CCC2 ZINC000657298407 431656847 /nfs/dbraw/zinc/65/68/47/431656847.db2.gz TVRJCDXMKBUEPA-UHFFFAOYSA-N 3 1 312.461 2.961 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1CC[NH3+] ZINC000650711023 431656900 /nfs/dbraw/zinc/65/69/00/431656900.db2.gz GMEUWSNIUWVHON-LPHOPBHVSA-N 3 1 319.493 2.576 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000650710880 431657717 /nfs/dbraw/zinc/65/77/17/431657717.db2.gz BLTTWCBVEFMPBR-YJBOKZPZSA-N 2 1 306.450 2.661 20 0 DFADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708434 431657869 /nfs/dbraw/zinc/65/78/69/431657869.db2.gz ZLJPRUSDMOOZSK-SOUVJXGZSA-N 2 1 323.506 2.985 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])s1 ZINC000650711359 431658078 /nfs/dbraw/zinc/65/80/78/431658078.db2.gz QVEJMNDVOHXAAK-ZFWWWQNUSA-N 2 1 310.511 2.939 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000647498187 431606952 /nfs/dbraw/zinc/60/69/52/431606952.db2.gz CGSDJXCXXIPJTD-CXAGYDPISA-N 2 1 314.433 2.645 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498880 431609124 /nfs/dbraw/zinc/60/91/24/431609124.db2.gz SNKWQRPYBVYXOF-DOTOQJQBSA-N 2 1 306.450 2.791 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647498533 431609232 /nfs/dbraw/zinc/60/92/32/431609232.db2.gz JTYFYWPEAHTBPX-DYVFJYSZSA-N 2 1 314.433 2.645 20 0 DFADMP CCO[C@@H]1C[N@H+](CCCc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC000650714692 431660517 /nfs/dbraw/zinc/66/05/17/431660517.db2.gz YYFAAJOGIZIHEL-MLGOLLRUSA-N 2 1 314.832 2.707 20 0 DFADMP CCO[C@@H]1C[N@@H+](CCCc2c(F)cccc2Cl)C[C@H]1C[NH3+] ZINC000650714692 431660519 /nfs/dbraw/zinc/66/05/19/431660519.db2.gz YYFAAJOGIZIHEL-MLGOLLRUSA-N 2 1 314.832 2.707 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647509902 431611353 /nfs/dbraw/zinc/61/13/53/431611353.db2.gz QXQCVXDAMGBOSB-HIFRSBDPSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647509902 431611359 /nfs/dbraw/zinc/61/13/59/431611359.db2.gz QXQCVXDAMGBOSB-HIFRSBDPSA-N 2 1 318.852 2.754 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000647513774 431611758 /nfs/dbraw/zinc/61/17/58/431611758.db2.gz CAUHPTSUPBCQDE-IBGZPJMESA-N 2 1 301.478 2.502 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)[C@@H]1CC[NH3+] ZINC000650711592 431660688 /nfs/dbraw/zinc/66/06/88/431660688.db2.gz YJHZMGFTWHKLRO-YUELXQCFSA-N 2 1 309.479 2.944 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)[C@@H]1CC[NH3+] ZINC000650711592 431660692 /nfs/dbraw/zinc/66/06/92/431660692.db2.gz YJHZMGFTWHKLRO-YUELXQCFSA-N 2 1 309.479 2.944 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000647535631 431618767 /nfs/dbraw/zinc/61/87/67/431618767.db2.gz FNYAJNDNJDJRPQ-AWEZNQCLSA-N 2 1 314.433 2.646 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657304376 431660830 /nfs/dbraw/zinc/66/08/30/431660830.db2.gz GLHMUZAWAPHPTA-SFHVURJKSA-N 2 1 306.450 2.674 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657304376 431660836 /nfs/dbraw/zinc/66/08/36/431660836.db2.gz GLHMUZAWAPHPTA-SFHVURJKSA-N 2 1 306.450 2.674 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H](CC[NH3+])C2)o1 ZINC000647535815 431619344 /nfs/dbraw/zinc/61/93/44/431619344.db2.gz RRAWQOKEDRTRIC-AWEZNQCLSA-N 2 1 302.422 2.549 20 0 DFADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542755 431621518 /nfs/dbraw/zinc/62/15/18/431621518.db2.gz BKZNNZLHYLIWPV-UONOGXRCSA-N 2 1 305.491 2.843 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647544093 431624055 /nfs/dbraw/zinc/62/40/55/431624055.db2.gz WRCHNEYOCHDKNX-MSOLQXFVSA-N 2 1 300.446 2.833 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543334 431624438 /nfs/dbraw/zinc/62/44/38/431624438.db2.gz LEKLSIAYWNMVQC-HOTGVXAUSA-N 2 1 312.461 2.785 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543879 431625677 /nfs/dbraw/zinc/62/56/77/431625677.db2.gz TVUJASFXAAUPAE-HZPDHXFCSA-N 2 1 304.434 2.612 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2F)C1 ZINC000650721838 431664136 /nfs/dbraw/zinc/66/41/36/431664136.db2.gz CXAGICRPCQNXFZ-DJIMGWMZSA-N 2 1 310.388 2.826 20 0 DFADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723979 431664556 /nfs/dbraw/zinc/66/45/56/431664556.db2.gz WLGKPBQAYXFJQS-BPLDGKMQSA-N 2 1 309.479 2.566 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650721868 431664873 /nfs/dbraw/zinc/66/48/73/431664873.db2.gz DTMVLUJFXQVYLS-SCTDSRPQSA-N 2 1 318.461 2.864 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cnc(C3CC3)s2)C1 ZINC000650723914 431666146 /nfs/dbraw/zinc/66/61/46/431666146.db2.gz VTLNPSPAORHLHM-VNQPRFMTSA-N 2 1 321.490 2.881 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650721856 431666165 /nfs/dbraw/zinc/66/61/65/431666165.db2.gz DGYDTMVZIXGVIE-SCTDSRPQSA-N 2 1 318.461 2.864 20 0 DFADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650721748 431666896 /nfs/dbraw/zinc/66/68/96/431666896.db2.gz ABZRWEFCYWIBFG-QRQLOZEOSA-N 2 1 318.461 2.946 20 0 DFADMP Cc1ncc(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000657335101 431682674 /nfs/dbraw/zinc/68/26/74/431682674.db2.gz LJRHAXQVCNLFKZ-SFHVURJKSA-N 2 1 312.461 2.730 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000657335101 431682682 /nfs/dbraw/zinc/68/26/82/431682682.db2.gz LJRHAXQVCNLFKZ-SFHVURJKSA-N 2 1 312.461 2.730 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000657335101 431682689 /nfs/dbraw/zinc/68/26/89/431682689.db2.gz LJRHAXQVCNLFKZ-SFHVURJKSA-N 3 1 312.461 2.730 20 0 DFADMP C[C@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1c[nH+]ccc1N ZINC000650761303 431684753 /nfs/dbraw/zinc/68/47/53/431684753.db2.gz XDZLODCBHQYNJS-JTQLQIEISA-N 2 1 321.327 2.709 20 0 DFADMP Fc1cccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1OC(F)F ZINC000657340637 431686612 /nfs/dbraw/zinc/68/66/12/431686612.db2.gz SLBIDVKDEYOPPQ-NSHDSACASA-N 2 1 311.307 2.728 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790097 431686601 /nfs/dbraw/zinc/68/66/01/431686601.db2.gz RIGYDTJIAFMZOF-XCDZQEORSA-N 3 1 307.526 2.722 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790096 431687106 /nfs/dbraw/zinc/68/71/06/431687106.db2.gz RIGYDTJIAFMZOF-RHQZKXFESA-N 3 1 307.526 2.722 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000647793589 431689663 /nfs/dbraw/zinc/68/96/63/431689663.db2.gz BCAZZKCTDXBIPA-FLXSYLCISA-N 3 1 305.510 2.617 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cc(C(F)(F)F)ccn1 ZINC000664195180 431693438 /nfs/dbraw/zinc/69/34/38/431693438.db2.gz KMIQCALYGNOUSY-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cc(C(F)(F)F)ccn1 ZINC000664195180 431693444 /nfs/dbraw/zinc/69/34/44/431693444.db2.gz KMIQCALYGNOUSY-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc2ccccc2n1 ZINC000664196354 431694292 /nfs/dbraw/zinc/69/42/92/431694292.db2.gz JTSYAPHRONTQDJ-HNNXBMFYSA-N 2 1 300.450 2.919 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc2ccccc2n1 ZINC000664196354 431694299 /nfs/dbraw/zinc/69/42/99/431694299.db2.gz JTSYAPHRONTQDJ-HNNXBMFYSA-N 2 1 300.450 2.919 20 0 DFADMP COCc1csc(CNC2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000657360945 431700951 /nfs/dbraw/zinc/70/09/51/431700951.db2.gz VYKUVQPUUKOQQX-MRXNPFEDSA-N 2 1 324.490 2.628 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2SC)CC[C@@H]1[NH3+] ZINC000647938300 431741401 /nfs/dbraw/zinc/74/14/01/431741401.db2.gz JHRVZKJKPXMLSW-KBPBESRZSA-N 2 1 321.490 2.796 20 0 DFADMP Cn1nc(C(F)(F)F)cc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000657436107 431749942 /nfs/dbraw/zinc/74/99/42/431749942.db2.gz RYHVUMFSWILVAQ-UHFFFAOYSA-N 2 1 318.387 2.651 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957106 431750225 /nfs/dbraw/zinc/75/02/25/431750225.db2.gz RCQWEFRZLRNROB-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965079 431756571 /nfs/dbraw/zinc/75/65/71/431756571.db2.gz FVJISMNJBLTEAE-SJORKVTESA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965079 431756577 /nfs/dbraw/zinc/75/65/77/431756577.db2.gz FVJISMNJBLTEAE-SJORKVTESA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965079 431756585 /nfs/dbraw/zinc/75/65/85/431756585.db2.gz FVJISMNJBLTEAE-SJORKVTESA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965079 431756593 /nfs/dbraw/zinc/75/65/93/431756593.db2.gz FVJISMNJBLTEAE-SJORKVTESA-N 2 1 322.518 2.802 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000647976769 431761484 /nfs/dbraw/zinc/76/14/84/431761484.db2.gz TZMZOARAASKXLD-IRXDYDNUSA-N 2 1 315.461 2.727 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977880 431762026 /nfs/dbraw/zinc/76/20/26/431762026.db2.gz JKHAOGHACCWSSG-DLBZAZTESA-N 2 1 318.461 2.786 20 0 DFADMP Fc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975879 431763180 /nfs/dbraw/zinc/76/31/80/431763180.db2.gz HDVWKRKPZAADAZ-CVEARBPZSA-N 2 1 306.425 2.916 20 0 DFADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975729 431763233 /nfs/dbraw/zinc/76/32/33/431763233.db2.gz FJLPIKDCKYMDMZ-KBPBESRZSA-N 2 1 306.454 2.579 20 0 DFADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975729 431763236 /nfs/dbraw/zinc/76/32/36/431763236.db2.gz FJLPIKDCKYMDMZ-KBPBESRZSA-N 2 1 306.454 2.579 20 0 DFADMP Cc1ccc(CC[N@H+](C[C@H]2CCCO2)C[C@H]2CC[NH2+]C2)cc1 ZINC000647889381 431717883 /nfs/dbraw/zinc/71/78/83/431717883.db2.gz LKZNBRFUKFUTNP-RBUKOAKNSA-N 2 1 302.462 2.628 20 0 DFADMP CC[C@H]1c2ccccc2CCN1Cc1nc(C(C)(C)N)no1 ZINC000647885839 431719358 /nfs/dbraw/zinc/71/93/58/431719358.db2.gz XAEVDPOPPMSJLN-AWEZNQCLSA-N 2 1 300.406 2.773 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899648 431721838 /nfs/dbraw/zinc/72/18/38/431721838.db2.gz RLKVYDVMXYJVHW-FJIDUMEYSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899648 431721843 /nfs/dbraw/zinc/72/18/43/431721843.db2.gz RLKVYDVMXYJVHW-FJIDUMEYSA-N 2 1 321.509 2.630 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cnc2ccnn2c1 ZINC000648035111 431793727 /nfs/dbraw/zinc/79/37/27/431793727.db2.gz RTAMYKHYDAUZGZ-UHFFFAOYSA-N 2 1 323.444 2.813 20 0 DFADMP OC[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000657558155 431807317 /nfs/dbraw/zinc/80/73/17/431807317.db2.gz AOWILMFHZYPWLT-RTBURBONSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000657558155 431807318 /nfs/dbraw/zinc/80/73/18/431807318.db2.gz AOWILMFHZYPWLT-RTBURBONSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071838 431807749 /nfs/dbraw/zinc/80/77/49/431807749.db2.gz WYTFAYABUDTOEX-GDBMZVCRSA-N 2 1 304.434 2.700 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071838 431807750 /nfs/dbraw/zinc/80/77/50/431807750.db2.gz WYTFAYABUDTOEX-GDBMZVCRSA-N 2 1 304.434 2.700 20 0 DFADMP Cc1cc(Cl)cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648072339 431808722 /nfs/dbraw/zinc/80/87/22/431808722.db2.gz YVGUSAWKYKJTIV-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP Cc1cc(Cl)cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648072339 431808728 /nfs/dbraw/zinc/80/87/28/431808728.db2.gz YVGUSAWKYKJTIV-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072120 431809491 /nfs/dbraw/zinc/80/94/91/431809491.db2.gz MKDYXQXWUJXWCZ-MRXNPFEDSA-N 2 1 320.452 2.943 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000657561346 431811108 /nfs/dbraw/zinc/81/11/08/431811108.db2.gz FUQMRPJUZCVXSF-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000657561346 431811110 /nfs/dbraw/zinc/81/11/10/431811110.db2.gz FUQMRPJUZCVXSF-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561346 431811114 /nfs/dbraw/zinc/81/11/14/431811114.db2.gz FUQMRPJUZCVXSF-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561346 431811116 /nfs/dbraw/zinc/81/11/16/431811116.db2.gz FUQMRPJUZCVXSF-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccsc3)cc2)C1 ZINC000657593705 431820188 /nfs/dbraw/zinc/82/01/88/431820188.db2.gz CBQKIQFLKMYJRF-KRWDZBQOSA-N 2 1 302.443 2.605 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657596743 431820904 /nfs/dbraw/zinc/82/09/04/431820904.db2.gz YJYMOWUHBYGWJB-HXUWFJFHSA-N 2 1 310.441 2.851 20 0 DFADMP C[N@H+]1C[C@@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000664570522 431822086 /nfs/dbraw/zinc/82/20/86/431822086.db2.gz WQNXFAUGHNFYKY-VQTJNVASSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000664570522 431822092 /nfs/dbraw/zinc/82/20/92/431822092.db2.gz WQNXFAUGHNFYKY-VQTJNVASSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000664570522 431822096 /nfs/dbraw/zinc/82/20/96/431822096.db2.gz WQNXFAUGHNFYKY-VQTJNVASSA-N 2 1 313.489 2.808 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1(CO)CC1 ZINC000657607476 431823489 /nfs/dbraw/zinc/82/34/89/431823489.db2.gz JZKJAEXERTXVNW-OAHLLOKOSA-N 2 1 320.452 2.583 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1(CO)CC1 ZINC000657608065 431823505 /nfs/dbraw/zinc/82/35/05/431823505.db2.gz PKOMBYKKGNJXAB-SJLPKXTDSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1(CO)CC1 ZINC000657608065 431823510 /nfs/dbraw/zinc/82/35/10/431823510.db2.gz PKOMBYKKGNJXAB-SJLPKXTDSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1(CO)CC1 ZINC000657607474 431823727 /nfs/dbraw/zinc/82/37/27/431823727.db2.gz JZKJAEXERTXVNW-HNNXBMFYSA-N 2 1 320.452 2.583 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]([NH+]2CCOCC2)C1 ZINC000185325549 281309002 /nfs/dbraw/zinc/30/90/02/281309002.db2.gz DVJIFLLFTNYPSO-INIZCTEOSA-N 2 1 311.429 2.763 20 0 DFADMP C[C@@]1(C[N@@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC[NH2+]C1 ZINC000261890449 289163702 /nfs/dbraw/zinc/16/37/02/289163702.db2.gz SYGLYCBLBVYDNP-CRAIPNDOSA-N 2 1 302.418 2.594 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC[NH2+]C1 ZINC000261890449 289163705 /nfs/dbraw/zinc/16/37/05/289163705.db2.gz SYGLYCBLBVYDNP-CRAIPNDOSA-N 2 1 302.418 2.594 20 0 DFADMP C[C@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247451377 289277883 /nfs/dbraw/zinc/27/78/83/289277883.db2.gz ZDVVPEJALHRUHY-XDNAFOTISA-N 2 1 321.509 2.725 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274520057 290084837 /nfs/dbraw/zinc/08/48/37/290084837.db2.gz NTZLKYGPKLTLAN-KFKAGJAMSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000367616178 290218493 /nfs/dbraw/zinc/21/84/93/290218493.db2.gz LKJJSPCPCXGCAU-HSALFYBXSA-N 2 1 313.489 2.507 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@H]2CCC[C@H]21 ZINC000353628831 290224580 /nfs/dbraw/zinc/22/45/80/290224580.db2.gz CBGYTFFZRSELGP-NQNKBUKLSA-N 2 1 310.507 2.504 20 0 DFADMP C[N@@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]cc2Br)C1 ZINC000281226556 290240722 /nfs/dbraw/zinc/24/07/22/290240722.db2.gz OUTOJJMCUMTDOV-AAEUAGOBSA-N 2 1 310.239 2.765 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2c2cc[nH+]cc2Br)C1 ZINC000281226556 290240723 /nfs/dbraw/zinc/24/07/23/290240723.db2.gz OUTOJJMCUMTDOV-AAEUAGOBSA-N 2 1 310.239 2.765 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000436442343 297003781 /nfs/dbraw/zinc/00/37/81/297003781.db2.gz BCCFGWDDHJGSLQ-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437102893 297054521 /nfs/dbraw/zinc/05/45/21/297054521.db2.gz ZVADEMHJLRQDPP-SJLPKXTDSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437102893 297054524 /nfs/dbraw/zinc/05/45/24/297054524.db2.gz ZVADEMHJLRQDPP-SJLPKXTDSA-N 2 1 301.478 2.896 20 0 DFADMP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437846708 297071970 /nfs/dbraw/zinc/07/19/70/297071970.db2.gz BGVGTHSGTROAOS-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc(OC)c1OC ZINC000293316086 295023498 /nfs/dbraw/zinc/02/34/98/295023498.db2.gz FKJAHGZXRZOYDD-OLZOCXBDSA-N 2 1 310.438 2.561 20 0 DFADMP COc1cccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000154380574 295299014 /nfs/dbraw/zinc/29/90/14/295299014.db2.gz FZKXQINBEQWVEE-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP COc1cccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000154380574 295299016 /nfs/dbraw/zinc/29/90/16/295299016.db2.gz FZKXQINBEQWVEE-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156170734 295331877 /nfs/dbraw/zinc/33/18/77/295331877.db2.gz VGROUPGWICCSRB-CKEIUWERSA-N 2 1 300.450 2.814 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158129128 295358720 /nfs/dbraw/zinc/35/87/20/295358720.db2.gz UNGWTGMXTXNCBG-UONOGXRCSA-N 2 1 315.461 2.909 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1NC(C)=O ZINC000158217288 295360419 /nfs/dbraw/zinc/36/04/19/295360419.db2.gz SLPIWHPDRJSDDO-ZFWWWQNUSA-N 2 1 319.449 2.646 20 0 DFADMP CCC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccccn1 ZINC000158626593 295365140 /nfs/dbraw/zinc/36/51/40/295365140.db2.gz ZTWRDQVYTVVTNB-SFHVURJKSA-N 2 1 318.509 2.930 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000438722419 297102915 /nfs/dbraw/zinc/10/29/15/297102915.db2.gz LOSUOEHFERWIAY-UHFFFAOYSA-N 2 1 321.440 2.879 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000438722419 297102916 /nfs/dbraw/zinc/10/29/16/297102916.db2.gz LOSUOEHFERWIAY-UHFFFAOYSA-N 2 1 321.440 2.879 20 0 DFADMP COC(=O)CC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000440693073 297161514 /nfs/dbraw/zinc/16/15/14/297161514.db2.gz MCYPYKKCXMJFGX-SJORKVTESA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000440693073 297161515 /nfs/dbraw/zinc/16/15/15/297161515.db2.gz MCYPYKKCXMJFGX-SJORKVTESA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000440693073 297161516 /nfs/dbraw/zinc/16/15/16/297161516.db2.gz MCYPYKKCXMJFGX-SJORKVTESA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000440693073 297161517 /nfs/dbraw/zinc/16/15/17/297161517.db2.gz MCYPYKKCXMJFGX-SJORKVTESA-N 2 1 322.493 2.916 20 0 DFADMP C[NH+](C)CC[C@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C(C)(C)C ZINC000440828410 297166891 /nfs/dbraw/zinc/16/68/91/297166891.db2.gz TUDYPPKCRYJQHB-NSHDSACASA-N 2 1 306.376 2.885 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000441245799 297176839 /nfs/dbraw/zinc/17/68/39/297176839.db2.gz NJSDVYRQIFPUMW-HVMFNXBNSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000441347283 297180724 /nfs/dbraw/zinc/18/07/24/297180724.db2.gz AANWXSXUECQIFR-QGZVFWFLSA-N 2 1 303.494 2.796 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@H](C)[NH3+])[C@H]2CCCC[C@H]12 ZINC000442664208 297199753 /nfs/dbraw/zinc/19/97/53/297199753.db2.gz LSTWOYKMMMBGOR-ROIMOXLHSA-N 2 1 309.498 2.518 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442753956 297204215 /nfs/dbraw/zinc/20/42/15/297204215.db2.gz AIULSIQDSOZKHT-OVWQWFNUSA-N 2 1 317.477 2.702 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442753956 297204216 /nfs/dbraw/zinc/20/42/16/297204216.db2.gz AIULSIQDSOZKHT-OVWQWFNUSA-N 2 1 317.477 2.702 20 0 DFADMP CC[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000442751643 297204317 /nfs/dbraw/zinc/20/43/17/297204317.db2.gz CSWBHISURHVUPH-WWGRRREGSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000442751643 297204319 /nfs/dbraw/zinc/20/43/19/297204319.db2.gz CSWBHISURHVUPH-WWGRRREGSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788783 297206343 /nfs/dbraw/zinc/20/63/43/297206343.db2.gz IZMODPCAWJAIDH-RYUDHWBXSA-N 2 1 320.824 2.602 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1C ZINC000442886844 297209488 /nfs/dbraw/zinc/20/94/88/297209488.db2.gz UURYXDUCVVHQRL-ZYHUDNBSSA-N 2 1 304.360 2.733 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cnc21 ZINC000442920133 297211106 /nfs/dbraw/zinc/21/11/06/297211106.db2.gz GLVRAVFPTZWLJL-AWEZNQCLSA-N 2 1 301.438 2.573 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000443056109 297213513 /nfs/dbraw/zinc/21/35/13/297213513.db2.gz CBAOEPJWHBOYRS-KBPBESRZSA-N 2 1 307.413 2.522 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c(F)c1 ZINC000443056112 297213525 /nfs/dbraw/zinc/21/35/25/297213525.db2.gz CBAOEPJWHBOYRS-KGLIPLIRSA-N 2 1 307.413 2.522 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057629 297213805 /nfs/dbraw/zinc/21/38/05/297213805.db2.gz HLAYBSNISUZPRH-CHWSQXEVSA-N 2 1 309.841 2.728 20 0 DFADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057649 297213976 /nfs/dbraw/zinc/21/39/76/297213976.db2.gz HNWRXCXWDZDKHT-UONOGXRCSA-N 2 1 321.490 2.796 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059888 297214086 /nfs/dbraw/zinc/21/40/86/297214086.db2.gz NSKOZGIEXGMHPF-BBWFWOEESA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443214695 297217620 /nfs/dbraw/zinc/21/76/20/297217620.db2.gz LJERGZPSXHKJLA-ISARSNTHSA-N 2 1 303.494 2.916 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443214695 297217622 /nfs/dbraw/zinc/21/76/22/297217622.db2.gz LJERGZPSXHKJLA-ISARSNTHSA-N 2 1 303.494 2.916 20 0 DFADMP CC1(C)CCC[NH+](CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000444626625 297242261 /nfs/dbraw/zinc/24/22/61/297242261.db2.gz AFJXMALODLUMDF-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCCC3)C2)CC1 ZINC000445849575 297269376 /nfs/dbraw/zinc/26/93/76/297269376.db2.gz MFEXELCIRPFJNK-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CC(O)C[N@H+](C)C[C@@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000447302071 297300042 /nfs/dbraw/zinc/30/00/42/297300042.db2.gz OHPXUUDSOFCCOO-QZTJIDSGSA-N 2 1 306.494 2.924 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1)C1CC1 ZINC000447506629 297305741 /nfs/dbraw/zinc/30/57/41/297305741.db2.gz DHGUVYKZAYXGLV-YOEHRIQHSA-N 2 1 315.461 2.541 20 0 DFADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448078624 297332014 /nfs/dbraw/zinc/33/20/14/297332014.db2.gz VAFQURRTGIOZBT-MJGOQNOKSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448078624 297332015 /nfs/dbraw/zinc/33/20/15/297332015.db2.gz VAFQURRTGIOZBT-MJGOQNOKSA-N 2 1 314.473 2.792 20 0 DFADMP COc1nccnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000449036731 297395438 /nfs/dbraw/zinc/39/54/38/297395438.db2.gz LDZXTWRWFKSLAQ-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP Cc1cccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000449048572 297397674 /nfs/dbraw/zinc/39/76/74/297397674.db2.gz PWAKVBHXAMCJOC-IPMKNSEASA-N 2 1 302.462 2.721 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)Cc3ccoc3)CC2)nc(C)[nH+]1 ZINC000449228527 297426311 /nfs/dbraw/zinc/42/63/11/297426311.db2.gz YWQNKEHWDIHWLA-ZDUSSCGKSA-N 2 1 314.433 2.876 20 0 DFADMP CCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)COC1 ZINC000449599478 297497409 /nfs/dbraw/zinc/49/74/09/297497409.db2.gz LBLTUDOOMZGDAR-UHFFFAOYSA-N 2 1 320.452 2.849 20 0 DFADMP CC1(C)COC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449623557 297501521 /nfs/dbraw/zinc/50/15/21/297501521.db2.gz JSNBNVCGTNQSPJ-GOSISDBHSA-N 2 1 320.452 2.847 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453059015 298058612 /nfs/dbraw/zinc/05/86/12/298058612.db2.gz PSJPWNFHACWTFJ-HSALFYBXSA-N 3 1 324.472 2.916 20 0 DFADMP c1cn(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453059015 298058614 /nfs/dbraw/zinc/05/86/14/298058614.db2.gz PSJPWNFHACWTFJ-HSALFYBXSA-N 3 1 324.472 2.916 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192362 298070451 /nfs/dbraw/zinc/07/04/51/298070451.db2.gz GKZCHOFCBZVUBS-DLBZAZTESA-N 2 1 308.853 2.837 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192362 298070454 /nfs/dbraw/zinc/07/04/54/298070454.db2.gz GKZCHOFCBZVUBS-DLBZAZTESA-N 2 1 308.853 2.837 20 0 DFADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453198340 298070801 /nfs/dbraw/zinc/07/08/01/298070801.db2.gz NYFIBCWOHZIYLZ-OKYOBFRVSA-N 2 1 302.462 2.790 20 0 DFADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](C)O ZINC000453334793 298084423 /nfs/dbraw/zinc/08/44/23/298084423.db2.gz JVQXCXCFCAMZFR-FTWQHDNSSA-N 2 1 302.462 2.931 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1C ZINC000453411662 298091852 /nfs/dbraw/zinc/09/18/52/298091852.db2.gz VWRAHJDPVKHOKD-YQQAZPJKSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)CN(Cc1cnn(C)c1)Cc1ncc(C[NH+](C)C)s1 ZINC000453607586 298104782 /nfs/dbraw/zinc/10/47/82/298104782.db2.gz GMAMJBTUVYTOBD-UHFFFAOYSA-N 2 1 321.494 2.596 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000495716045 299961830 /nfs/dbraw/zinc/96/18/30/299961830.db2.gz GKLHKVKVHMSMRX-KGLIPLIRSA-N 2 1 324.469 2.863 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000495993443 300003730 /nfs/dbraw/zinc/00/37/30/300003730.db2.gz QUJKJFPPBLAJJS-ZFWWWQNUSA-N 2 1 322.453 2.569 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)[C@@H]1C ZINC000495993443 300003734 /nfs/dbraw/zinc/00/37/34/300003734.db2.gz QUJKJFPPBLAJJS-ZFWWWQNUSA-N 2 1 322.453 2.569 20 0 DFADMP CCC(CC)[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CC1 ZINC000496258173 300037334 /nfs/dbraw/zinc/03/73/34/300037334.db2.gz XFEKYLPFUOXVQT-GOSISDBHSA-N 2 1 321.465 2.514 20 0 DFADMP CC[C@@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1(C(=O)OC)CCC1 ZINC000497852982 300192766 /nfs/dbraw/zinc/19/27/66/300192766.db2.gz LZVJKRZOCZDHNL-OAHLLOKOSA-N 2 1 310.482 2.962 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000513045231 300256729 /nfs/dbraw/zinc/25/67/29/300256729.db2.gz CXENLWAFFLBVEX-RDJZCZTQSA-N 2 1 303.450 2.868 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000513045231 300256732 /nfs/dbraw/zinc/25/67/32/300256732.db2.gz CXENLWAFFLBVEX-RDJZCZTQSA-N 2 1 303.450 2.868 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513506385 300257846 /nfs/dbraw/zinc/25/78/46/300257846.db2.gz PWRVYAWLKZOXPY-LFGUQSLTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccnn2C)C[N@H+]1Cc1ccccc1 ZINC000513493590 300257899 /nfs/dbraw/zinc/25/78/99/300257899.db2.gz BNXFQEUTLLGBTN-FUHWJXTLSA-N 2 1 312.461 2.810 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000513502499 300257923 /nfs/dbraw/zinc/25/79/23/300257923.db2.gz AFOKMJLLJBBSNB-QFBILLFUSA-N 2 1 304.478 2.992 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855820 300275459 /nfs/dbraw/zinc/27/54/59/300275459.db2.gz CHTOGIPJWNTRMP-CQSZACIVSA-N 2 1 323.868 2.990 20 0 DFADMP C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]1 ZINC000516450341 300342920 /nfs/dbraw/zinc/34/29/20/300342920.db2.gz CYWBKJINYKPAIG-BLLLJJGKSA-N 2 1 303.381 2.753 20 0 DFADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCC2)c(-c2cccs2)n1 ZINC000516632107 300352692 /nfs/dbraw/zinc/35/26/92/300352692.db2.gz FTPICXQJLBMKAO-UHFFFAOYSA-N 2 1 304.463 2.900 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769166 300359507 /nfs/dbraw/zinc/35/95/07/300359507.db2.gz SPQSPVBMUOUCCZ-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769166 300359509 /nfs/dbraw/zinc/35/95/09/300359509.db2.gz SPQSPVBMUOUCCZ-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769166 300359511 /nfs/dbraw/zinc/35/95/11/300359511.db2.gz SPQSPVBMUOUCCZ-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP C[C@@H](CCCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516969588 300374124 /nfs/dbraw/zinc/37/41/24/300374124.db2.gz BFZFOPAAZDDJTK-WMZOPIPTSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H](CCCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516969588 300374125 /nfs/dbraw/zinc/37/41/25/300374125.db2.gz BFZFOPAAZDDJTK-WMZOPIPTSA-N 2 1 302.462 2.934 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000517230091 300388430 /nfs/dbraw/zinc/38/84/30/300388430.db2.gz XVCHVLIWLGCKNP-RHSMWYFYSA-N 2 1 303.450 2.819 20 0 DFADMP CCC[N@@H+](C)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000517372998 300394185 /nfs/dbraw/zinc/39/41/85/300394185.db2.gz JKASPGPBODKKAN-UHFFFAOYSA-N 2 1 317.477 2.995 20 0 DFADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000530024877 301005712 /nfs/dbraw/zinc/00/57/12/301005712.db2.gz YBBUOLKQMGCWRY-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000530024877 301005713 /nfs/dbraw/zinc/00/57/13/301005713.db2.gz YBBUOLKQMGCWRY-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000530024877 301005715 /nfs/dbraw/zinc/00/57/15/301005715.db2.gz YBBUOLKQMGCWRY-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530178671 301026082 /nfs/dbraw/zinc/02/60/82/301026082.db2.gz PUTODBVXAVMJNK-DOTOQJQBSA-N 2 1 315.461 2.895 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1C ZINC000530177950 301026465 /nfs/dbraw/zinc/02/64/65/301026465.db2.gz LWFDGEVLVOLPHF-RHSMWYFYSA-N 2 1 315.461 2.895 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530179414 301026487 /nfs/dbraw/zinc/02/64/87/301026487.db2.gz XTXRPBIPNVHVAT-SUMWQHHRSA-N 2 1 304.434 2.509 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000530206642 301029024 /nfs/dbraw/zinc/02/90/24/301029024.db2.gz MDMPNHICQNKUFG-SFHVURJKSA-N 2 1 306.425 2.600 20 0 DFADMP COc1ccnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1OC ZINC000530390583 301044480 /nfs/dbraw/zinc/04/44/80/301044480.db2.gz BSZGDBKVBSULQK-UHFFFAOYSA-N 2 1 321.465 2.651 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000530565343 301057178 /nfs/dbraw/zinc/05/71/78/301057178.db2.gz LCGMKQJQVAYSPG-UHFFFAOYSA-N 2 1 320.481 2.777 20 0 DFADMP C[C@@H](CC1CC1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531678186 301103598 /nfs/dbraw/zinc/10/35/98/301103598.db2.gz IEFSKXVBRAKOOL-GOEBONIOSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531954331 301120944 /nfs/dbraw/zinc/12/09/44/301120944.db2.gz CJCRWZACIBSOIG-ZUJMUWTESA-N 2 1 322.415 2.932 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531954331 301120945 /nfs/dbraw/zinc/12/09/45/301120945.db2.gz CJCRWZACIBSOIG-ZUJMUWTESA-N 2 1 322.415 2.932 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OC)c2OC)[C@H](C)C1 ZINC000532210947 301136991 /nfs/dbraw/zinc/13/69/91/301136991.db2.gz KHZHUBXEJNIOBT-GDBMZVCRSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506873 301157143 /nfs/dbraw/zinc/15/71/43/301157143.db2.gz XPILRHKBRGNMRD-IRXDYDNUSA-N 2 1 317.477 2.516 20 0 DFADMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccnc1 ZINC000532641649 301165520 /nfs/dbraw/zinc/16/55/20/301165520.db2.gz WYQKSBZLEUXNEC-YLJYHZDGSA-N 2 1 324.472 2.721 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000533581925 301209168 /nfs/dbraw/zinc/20/91/68/301209168.db2.gz DDSRGDPTDCLSGA-QFBILLFUSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000533581925 301209169 /nfs/dbraw/zinc/20/91/69/301209169.db2.gz DDSRGDPTDCLSGA-QFBILLFUSA-N 2 1 310.445 2.692 20 0 DFADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533864770 301214882 /nfs/dbraw/zinc/21/48/82/301214882.db2.gz BJOUPROVMXZCER-CHWSQXEVSA-N 2 1 323.400 2.619 20 0 DFADMP CCOc1cc(C[NH2+]CCC[NH+]2CCC2)cc(Cl)c1OC ZINC000535047537 301245441 /nfs/dbraw/zinc/24/54/41/301245441.db2.gz UFWKQDLSKZGWIC-UHFFFAOYSA-N 2 1 312.841 2.933 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000537607183 301305864 /nfs/dbraw/zinc/30/58/64/301305864.db2.gz SBTPGXKQEBACME-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCC2CC2)CC1)CC(C)C ZINC000539098504 301337974 /nfs/dbraw/zinc/33/79/74/301337974.db2.gz RFBFZQCFISILQN-UHFFFAOYSA-N 2 1 323.525 2.593 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000540605000 301365810 /nfs/dbraw/zinc/36/58/10/301365810.db2.gz CJQJCQCEAQEUMC-OAHLLOKOSA-N 2 1 301.434 2.564 20 0 DFADMP CCCC[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000548481684 301594141 /nfs/dbraw/zinc/59/41/41/301594141.db2.gz PQMRFYWODUDZON-UHFFFAOYSA-N 2 1 312.255 2.942 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555510969 301770049 /nfs/dbraw/zinc/77/00/49/301770049.db2.gz HNXVJRLGQHHCSE-AWEZNQCLSA-N 2 1 323.278 2.990 20 0 DFADMP C[C@H](CCN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562958368 302018337 /nfs/dbraw/zinc/01/83/37/302018337.db2.gz CLPGEAWWINBIDX-AOIWGVFYSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562958368 302018338 /nfs/dbraw/zinc/01/83/38/302018338.db2.gz CLPGEAWWINBIDX-AOIWGVFYSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562958368 302018342 /nfs/dbraw/zinc/01/83/42/302018342.db2.gz CLPGEAWWINBIDX-AOIWGVFYSA-N 3 1 303.494 2.875 20 0 DFADMP OC1CC(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120022 302038742 /nfs/dbraw/zinc/03/87/42/302038742.db2.gz PJIWICDVWODFIW-JLAWEPINSA-N 2 1 314.473 2.934 20 0 DFADMP OC1CC(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120022 302038743 /nfs/dbraw/zinc/03/87/43/302038743.db2.gz PJIWICDVWODFIW-JLAWEPINSA-N 2 1 314.473 2.934 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000563352530 302065626 /nfs/dbraw/zinc/06/56/26/302065626.db2.gz GEWUGHUKMCGXOY-RDGPPVDQSA-N 2 1 302.462 2.710 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000563352530 302065628 /nfs/dbraw/zinc/06/56/28/302065628.db2.gz GEWUGHUKMCGXOY-RDGPPVDQSA-N 2 1 302.462 2.710 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000563352530 302065629 /nfs/dbraw/zinc/06/56/29/302065629.db2.gz GEWUGHUKMCGXOY-RDGPPVDQSA-N 2 1 302.462 2.710 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000563352530 302065631 /nfs/dbraw/zinc/06/56/31/302065631.db2.gz GEWUGHUKMCGXOY-RDGPPVDQSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000563804204 302099298 /nfs/dbraw/zinc/09/92/98/302099298.db2.gz BAQAZGLXAHAKOB-MORSLUCNSA-N 2 1 313.445 2.849 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000563804204 302099300 /nfs/dbraw/zinc/09/93/00/302099300.db2.gz BAQAZGLXAHAKOB-MORSLUCNSA-N 2 1 313.445 2.849 20 0 DFADMP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Nc1ccc(F)cc1 ZINC000564074205 302116747 /nfs/dbraw/zinc/11/67/47/302116747.db2.gz CPJJEXCEPCHKKB-GVDBMIGSSA-N 2 1 319.424 2.665 20 0 DFADMP CCCC(CCC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000564543500 302140429 /nfs/dbraw/zinc/14/04/29/302140429.db2.gz VQGSFSADDHRJTO-UHFFFAOYSA-N 2 1 318.465 2.988 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ncccc2O)C1 ZINC000564612426 302144212 /nfs/dbraw/zinc/14/42/12/302144212.db2.gz PXTJBOXVZRMXAQ-HZPDHXFCSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2ncccc2O)C1 ZINC000564612427 302144608 /nfs/dbraw/zinc/14/46/08/302144608.db2.gz PXTJBOXVZRMXAQ-JKSUJKDBSA-N 2 1 303.450 2.874 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000564956826 302176863 /nfs/dbraw/zinc/17/68/63/302176863.db2.gz WEBVWTJYXMCCRA-ROUUACIJSA-N 2 1 317.477 2.847 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000565160418 302199376 /nfs/dbraw/zinc/19/93/76/302199376.db2.gz CZHJCZNDFCYSIN-GOSISDBHSA-N 2 1 302.462 2.889 20 0 DFADMP CC(C)c1[nH+]c(CN(C)CC[NH+]2CCCC2)c2ccccn21 ZINC000565369297 302221782 /nfs/dbraw/zinc/22/17/82/302221782.db2.gz XTNPGPJECLFMQA-UHFFFAOYSA-N 2 1 300.450 2.985 20 0 DFADMP C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566090692 302258625 /nfs/dbraw/zinc/25/86/25/302258625.db2.gz JACWNTDFMMIARW-DBVUQKKJSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566090692 302258626 /nfs/dbraw/zinc/25/86/26/302258626.db2.gz JACWNTDFMMIARW-DBVUQKKJSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000566106171 302259869 /nfs/dbraw/zinc/25/98/69/302259869.db2.gz IXDNPPJPEIFRFB-QFBILLFUSA-N 2 1 322.468 2.831 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC[NH2+]C(C)C)cc1 ZINC000566190669 302266730 /nfs/dbraw/zinc/26/67/30/302266730.db2.gz MELQTYRDQYQBKY-AWEZNQCLSA-N 2 1 314.433 2.746 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1 ZINC000566294960 302275981 /nfs/dbraw/zinc/27/59/81/302275981.db2.gz HMFUQVDHESECDK-CABCVRRESA-N 2 1 305.466 2.774 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)o1 ZINC000566732215 302307971 /nfs/dbraw/zinc/30/79/71/302307971.db2.gz GKVYIOKJVHCNQL-GWZLXJJCSA-N 2 1 304.434 2.650 20 0 DFADMP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000567269542 302346613 /nfs/dbraw/zinc/34/66/13/302346613.db2.gz KOSWDBPWTSHMTL-YJBOKZPZSA-N 2 1 320.502 2.832 20 0 DFADMP CC[C@H](C)[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567484162 302362801 /nfs/dbraw/zinc/36/28/01/302362801.db2.gz IMQBUAVADQYUSW-HOTGVXAUSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000567505268 302365098 /nfs/dbraw/zinc/36/50/98/302365098.db2.gz RVYXLQROSCTOIL-SCLBCKFNSA-N 2 1 312.417 2.500 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])c2ccccc21 ZINC000567648425 302376365 /nfs/dbraw/zinc/37/63/65/302376365.db2.gz QGCHHVPNEQLIEL-IKGGRYGDSA-N 2 1 301.434 2.734 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000567655162 302376408 /nfs/dbraw/zinc/37/64/08/302376408.db2.gz GHEJPADESXUAIU-ZIAGYGMSSA-N 2 1 312.408 2.866 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000567683273 302379235 /nfs/dbraw/zinc/37/92/35/302379235.db2.gz KYKWCOYMKBZXLG-GOEBONIOSA-N 2 1 310.507 2.957 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000567683273 302379239 /nfs/dbraw/zinc/37/92/39/302379239.db2.gz KYKWCOYMKBZXLG-GOEBONIOSA-N 2 1 310.507 2.957 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000568191795 302427152 /nfs/dbraw/zinc/42/71/52/302427152.db2.gz SULDSZOCBVWJHX-HOTGVXAUSA-N 2 1 317.477 2.572 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@@H]2C2CC2)c2cccs2)CC1 ZINC000568548084 302459044 /nfs/dbraw/zinc/45/90/44/302459044.db2.gz VMEMGKXFVGZPRQ-BRWVUGGUSA-N 2 1 319.518 2.815 20 0 DFADMP Cc1nc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)sc1Br ZINC000570529189 302578475 /nfs/dbraw/zinc/57/84/75/302578475.db2.gz LRRPKKBMJJJLFB-DTWKUNHWSA-N 2 1 304.257 2.574 20 0 DFADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@H](C)C3C[NH2+]C3)c2)cc1 ZINC000570562533 302579603 /nfs/dbraw/zinc/57/96/03/302579603.db2.gz VGBLJGSCLAGZLF-OAHLLOKOSA-N 2 1 323.440 2.945 20 0 DFADMP C[NH+](C)CC1(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CCC1 ZINC000571578365 302623668 /nfs/dbraw/zinc/62/36/68/302623668.db2.gz JOFOWBLWHBVFJJ-HNNXBMFYSA-N 2 1 323.868 2.543 20 0 DFADMP C[NH+](C)CC1(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CCC1 ZINC000571578366 302623729 /nfs/dbraw/zinc/62/37/29/302623729.db2.gz JOFOWBLWHBVFJJ-OAHLLOKOSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H]([NH2+]CCC(=O)NC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749713 316191693 /nfs/dbraw/zinc/19/16/93/316191693.db2.gz HEKGKQKZRAETCX-JKSUJKDBSA-N 2 1 321.509 2.678 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760129 316192133 /nfs/dbraw/zinc/19/21/33/316192133.db2.gz WAIISMHJPDLFNN-OWCLPIDISA-N 2 1 309.498 2.534 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760129 316192138 /nfs/dbraw/zinc/19/21/38/316192138.db2.gz WAIISMHJPDLFNN-OWCLPIDISA-N 2 1 309.498 2.534 20 0 DFADMP CCC[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000185862288 316193247 /nfs/dbraw/zinc/19/32/47/316193247.db2.gz JWCSNRZCOQALHM-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000336716893 316299847 /nfs/dbraw/zinc/29/98/47/316299847.db2.gz QATZONVTLWUPIX-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000336716893 316299853 /nfs/dbraw/zinc/29/98/53/316299853.db2.gz QATZONVTLWUPIX-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000336716893 316299858 /nfs/dbraw/zinc/29/98/58/316299858.db2.gz QATZONVTLWUPIX-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)C[C@H]2C)CN1Cc1ccccc1 ZINC000336716893 316299861 /nfs/dbraw/zinc/29/98/61/316299861.db2.gz QATZONVTLWUPIX-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000337605305 316302090 /nfs/dbraw/zinc/30/20/90/316302090.db2.gz UVRSIRMDJSCRMI-HOTGVXAUSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000337605305 316302093 /nfs/dbraw/zinc/30/20/93/316302093.db2.gz UVRSIRMDJSCRMI-HOTGVXAUSA-N 2 1 304.434 2.810 20 0 DFADMP C[N@H+]1CC[C@@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000350022761 316373856 /nfs/dbraw/zinc/37/38/56/316373856.db2.gz IZPQIAQGGQHZPV-MRXNPFEDSA-N 2 1 312.417 2.752 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000360015526 316572682 /nfs/dbraw/zinc/57/26/82/316572682.db2.gz LIIKSEZEGMKXQZ-LSDHHAIUSA-N 2 1 313.401 2.710 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360013000 316572859 /nfs/dbraw/zinc/57/28/59/316572859.db2.gz DTWQJGGZNGGGFQ-ZBFHGGJFSA-N 2 1 315.417 2.574 20 0 DFADMP C[NH+](C)Cc1cnc(CN(CCC[NH3+])Cc2ccccc2)s1 ZINC000414742079 316644950 /nfs/dbraw/zinc/64/49/50/316644950.db2.gz TUQSAYFJJDSMIA-UHFFFAOYSA-N 2 1 318.490 2.556 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000414802546 316663552 /nfs/dbraw/zinc/66/35/52/316663552.db2.gz KLKLNABSULJXIG-UHFFFAOYSA-N 2 1 300.830 2.964 20 0 DFADMP C[C@@H](CNc1cc[nH+]c2ccc(Br)cc12)[NH+](C)C ZINC000443428377 316956303 /nfs/dbraw/zinc/95/63/03/316956303.db2.gz KKWOUWTXXFVRNT-JTQLQIEISA-N 2 1 308.223 2.781 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](F)C2)CC1 ZINC000449385144 317034350 /nfs/dbraw/zinc/03/43/50/317034350.db2.gz DXGVNPVVGUKNTH-QGZVFWFLSA-N 2 1 305.441 2.762 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](F)C2)CC1 ZINC000449385144 317034352 /nfs/dbraw/zinc/03/43/52/317034352.db2.gz DXGVNPVVGUKNTH-QGZVFWFLSA-N 2 1 305.441 2.762 20 0 DFADMP CN(c1ccccc1C[N@@H+]1CC[C@H](F)C1)C1CC[NH+](C)CC1 ZINC000449388670 317036789 /nfs/dbraw/zinc/03/67/89/317036789.db2.gz PXECKQZVHNELQP-INIZCTEOSA-N 2 1 305.441 2.761 20 0 DFADMP CN(c1ccccc1C[N@H+]1CC[C@H](F)C1)C1CC[NH+](C)CC1 ZINC000449388670 317036793 /nfs/dbraw/zinc/03/67/93/317036793.db2.gz PXECKQZVHNELQP-INIZCTEOSA-N 2 1 305.441 2.761 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000449672532 317051999 /nfs/dbraw/zinc/05/19/99/317051999.db2.gz MVZWXMCIBFZYRS-GOSISDBHSA-N 2 1 309.413 2.921 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000449672532 317052002 /nfs/dbraw/zinc/05/20/02/317052002.db2.gz MVZWXMCIBFZYRS-GOSISDBHSA-N 2 1 309.413 2.921 20 0 DFADMP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450263335 317077728 /nfs/dbraw/zinc/07/77/28/317077728.db2.gz BKXYIIGERNSTGB-QFBILLFUSA-N 2 1 302.462 2.711 20 0 DFADMP COC[C@@H]1CCCC[NH+]1CC(C)C[N@@H+]1CCCC[C@H]1COC ZINC000452039434 317120444 /nfs/dbraw/zinc/12/04/44/317120444.db2.gz OHOUKGXWKPBOSQ-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP COC1([C@@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000453077883 317159680 /nfs/dbraw/zinc/15/96/80/317159680.db2.gz ISPWMLJATJRLGN-QGZVFWFLSA-N 2 1 320.477 2.682 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453081185 317160609 /nfs/dbraw/zinc/16/06/09/317160609.db2.gz PKKJOVCVBUJUOF-AQNXPRMDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453081185 317160612 /nfs/dbraw/zinc/16/06/12/317160612.db2.gz PKKJOVCVBUJUOF-AQNXPRMDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453081185 317160614 /nfs/dbraw/zinc/16/06/14/317160614.db2.gz PKKJOVCVBUJUOF-AQNXPRMDSA-N 2 1 315.505 2.971 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453104352 317163045 /nfs/dbraw/zinc/16/30/45/317163045.db2.gz ZHQIZBORIDMNON-XUVXKRRUSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453104352 317163048 /nfs/dbraw/zinc/16/30/48/317163048.db2.gz ZHQIZBORIDMNON-XUVXKRRUSA-N 2 1 324.472 2.953 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(COC)on2)CC1 ZINC000459301905 317314884 /nfs/dbraw/zinc/31/48/84/317314884.db2.gz NFVQXBVFNXYTOQ-UHFFFAOYSA-N 2 1 309.454 2.765 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(COC)on2)CC1 ZINC000459301905 317314888 /nfs/dbraw/zinc/31/48/88/317314888.db2.gz NFVQXBVFNXYTOQ-UHFFFAOYSA-N 2 1 309.454 2.765 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000487510007 317346714 /nfs/dbraw/zinc/34/67/14/317346714.db2.gz ZRACMTCTPXFUNR-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP COCCSCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000488278032 317380527 /nfs/dbraw/zinc/38/05/27/317380527.db2.gz IFHHJTYYPIMKAN-HOTGVXAUSA-N 2 1 314.539 2.999 20 0 DFADMP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000488406497 317390087 /nfs/dbraw/zinc/39/00/87/317390087.db2.gz CNYFPNRKYPJRAZ-ZUPWUQBJSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000488406497 317390090 /nfs/dbraw/zinc/39/00/90/317390090.db2.gz CNYFPNRKYPJRAZ-ZUPWUQBJSA-N 2 1 316.489 2.894 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000575450156 318077745 /nfs/dbraw/zinc/07/77/45/318077745.db2.gz SRIUOTNCBUVVRY-NJAFHUGGSA-N 2 1 323.525 2.780 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000575744557 318080258 /nfs/dbraw/zinc/08/02/58/318080258.db2.gz CPEFKQWFXREJOG-LKIHTYOGSA-N 2 1 301.434 2.521 20 0 DFADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000576219292 318111571 /nfs/dbraw/zinc/11/15/71/318111571.db2.gz NDGMTLCHEVMRBO-YGRLFVJLSA-N 2 1 302.447 2.901 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CCC[N@@H+]2CC(C)C)c1 ZINC000576389419 318122854 /nfs/dbraw/zinc/12/28/54/318122854.db2.gz QVLYCVYLINXZCF-QGZVFWFLSA-N 2 1 318.465 2.696 20 0 DFADMP CC1(C[NH+]2CCN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000576433083 318125715 /nfs/dbraw/zinc/12/57/15/318125715.db2.gz WIGIRMWKMMNNAZ-IBGZPJMESA-N 2 1 313.489 2.679 20 0 DFADMP COC[C@H]1CCCC[N@H+]1CCCC[NH+]1CCCC[C@H]1COC ZINC000576702528 318143983 /nfs/dbraw/zinc/14/39/83/318143983.db2.gz DCKVCHXMADPNAD-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP COC[C@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1COC ZINC000576702528 318143985 /nfs/dbraw/zinc/14/39/85/318143985.db2.gz DCKVCHXMADPNAD-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP COC[C@H]1CCCC[NH+]1CCCC[N@H+]1CCCC[C@H]1COC ZINC000576702528 318143986 /nfs/dbraw/zinc/14/39/86/318143986.db2.gz DCKVCHXMADPNAD-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1(O)CCC1 ZINC000577070482 318169422 /nfs/dbraw/zinc/16/94/22/318169422.db2.gz NOGWGJRPSWQSBM-VQFNDLOPSA-N 2 1 302.462 2.648 20 0 DFADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577111783 318171761 /nfs/dbraw/zinc/17/17/61/318171761.db2.gz QHFGNHFAPPTKTA-FHWLQOOXSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577111783 318171763 /nfs/dbraw/zinc/17/17/63/318171763.db2.gz QHFGNHFAPPTKTA-FHWLQOOXSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000577509343 318198257 /nfs/dbraw/zinc/19/82/57/318198257.db2.gz WDQVHNGUXUUOFG-MPGHIAIKSA-N 2 1 315.461 2.998 20 0 DFADMP [NH3+]CCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CCCC1 ZINC000577521749 318199363 /nfs/dbraw/zinc/19/93/63/318199363.db2.gz QESBPKWQXJCQNU-UHFFFAOYSA-N 3 1 301.478 2.673 20 0 DFADMP CC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000577739727 318213903 /nfs/dbraw/zinc/21/39/03/318213903.db2.gz DJKWDVMFEDIZBK-XKGZKEIXSA-N 2 1 315.505 2.801 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000578127549 318239619 /nfs/dbraw/zinc/23/96/19/318239619.db2.gz CVJYNZLMWIKZCM-TZMCWYRMSA-N 2 1 307.413 2.535 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000578140000 318240619 /nfs/dbraw/zinc/24/06/19/318240619.db2.gz VQARRQABNHVJFY-CMPLNLGQSA-N 2 1 313.804 2.619 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000578337319 318254223 /nfs/dbraw/zinc/25/42/23/318254223.db2.gz CKDZOQRKGHZYAF-LSDHHAIUSA-N 2 1 310.445 2.721 20 0 DFADMP C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000578422891 318259343 /nfs/dbraw/zinc/25/93/43/318259343.db2.gz IXRFIGRSMHFKHQ-VXGBXAGGSA-N 2 1 317.355 2.500 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000578866995 318291032 /nfs/dbraw/zinc/29/10/32/318291032.db2.gz FEXNGQNLRNTWGY-QGZVFWFLSA-N 2 1 311.429 2.831 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000579192899 318312858 /nfs/dbraw/zinc/31/28/58/318312858.db2.gz CZTDPRCQRYTOGE-HKUYNNGSSA-N 2 1 320.477 2.925 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000579192899 318312860 /nfs/dbraw/zinc/31/28/60/318312860.db2.gz CZTDPRCQRYTOGE-HKUYNNGSSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000579192899 318312863 /nfs/dbraw/zinc/31/28/63/318312863.db2.gz CZTDPRCQRYTOGE-HKUYNNGSSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000579192899 318312864 /nfs/dbraw/zinc/31/28/64/318312864.db2.gz CZTDPRCQRYTOGE-HKUYNNGSSA-N 2 1 320.477 2.925 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000579830235 318357195 /nfs/dbraw/zinc/35/71/95/318357195.db2.gz RYLAWDRRYYLVSP-QGZVFWFLSA-N 2 1 314.433 2.520 20 0 DFADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000579860903 318359517 /nfs/dbraw/zinc/35/95/17/318359517.db2.gz WPUUTUCSZIDANB-GUDVDZBRSA-N 2 1 320.477 2.589 20 0 DFADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000579860903 318359520 /nfs/dbraw/zinc/35/95/20/318359520.db2.gz WPUUTUCSZIDANB-GUDVDZBRSA-N 2 1 320.477 2.589 20 0 DFADMP CC(C)[N@H+](C)CC1CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000579909108 318361425 /nfs/dbraw/zinc/36/14/25/318361425.db2.gz VNEDXCGOWHDGCO-UHFFFAOYSA-N 2 1 307.486 2.654 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(Cc2n[nH]c(C(C)(C)C)n2)CC1 ZINC000579909108 318361428 /nfs/dbraw/zinc/36/14/28/318361428.db2.gz VNEDXCGOWHDGCO-UHFFFAOYSA-N 2 1 307.486 2.654 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000579944624 318364874 /nfs/dbraw/zinc/36/48/74/318364874.db2.gz IBDQJGWVWDZGMS-VKJFTORMSA-N 2 1 310.445 2.949 20 0 DFADMP C[C@@]1(CNc2cc[nH+]cc2C(N)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000189223135 323222482 /nfs/dbraw/zinc/22/24/82/323222482.db2.gz YAUGBQZVJQQJDG-IBGZPJMESA-N 2 1 324.428 2.647 20 0 DFADMP C[C@@]1(CNc2cc[nH+]cc2C(N)=O)CCC[N@H+]1Cc1ccccc1 ZINC000189223135 323222485 /nfs/dbraw/zinc/22/24/85/323222485.db2.gz YAUGBQZVJQQJDG-IBGZPJMESA-N 2 1 324.428 2.647 20 0 DFADMP Cn1c2ccc(C[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)cc2sc1=O ZINC000192604205 323244404 /nfs/dbraw/zinc/24/44/04/323244404.db2.gz UOSVFRFPLYVRQS-ZIAGYGMSSA-N 2 1 319.474 2.562 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379630145 323289562 /nfs/dbraw/zinc/28/95/62/323289562.db2.gz KUIMBJKFCQDXDD-QXCFHYIPSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000379630145 323289566 /nfs/dbraw/zinc/28/95/66/323289566.db2.gz KUIMBJKFCQDXDD-QXCFHYIPSA-N 2 1 301.478 2.757 20 0 DFADMP Brc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000379867839 323290215 /nfs/dbraw/zinc/29/02/15/323290215.db2.gz UXDLCFKRFOUDAB-TXEJJXNPSA-N 2 1 315.280 2.942 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379654567 323290733 /nfs/dbraw/zinc/29/07/33/323290733.db2.gz IYTMZVDZFYREFH-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379654567 323290736 /nfs/dbraw/zinc/29/07/36/323290736.db2.gz IYTMZVDZFYREFH-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379654567 323290739 /nfs/dbraw/zinc/29/07/39/323290739.db2.gz IYTMZVDZFYREFH-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632366 323290774 /nfs/dbraw/zinc/29/07/74/323290774.db2.gz SKWDZEMGDLOFSK-GBESFXJTSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379632366 323290778 /nfs/dbraw/zinc/29/07/78/323290778.db2.gz SKWDZEMGDLOFSK-GBESFXJTSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](C)NC(=O)OC(C)(C)C ZINC000380929738 323292948 /nfs/dbraw/zinc/29/29/48/323292948.db2.gz FMNPTOXTVXNUDR-OLZOCXBDSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000382712576 323301266 /nfs/dbraw/zinc/30/12/66/323301266.db2.gz WCERTMBLAXTLNU-MOPGFXCFSA-N 2 1 315.505 2.973 20 0 DFADMP CCN(CCC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000382826387 323302331 /nfs/dbraw/zinc/30/23/31/323302331.db2.gz DGVDZPRJKPFBQG-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H](CN)[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000382973074 323303117 /nfs/dbraw/zinc/30/31/17/323303117.db2.gz GQNVIYIPXZNABD-VIFPVBQESA-N 2 1 304.221 2.601 20 0 DFADMP C[C@@H](CN)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000382973074 323303119 /nfs/dbraw/zinc/30/31/19/323303119.db2.gz GQNVIYIPXZNABD-VIFPVBQESA-N 2 1 304.221 2.601 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])CC1CCCCC1)Cc1ccccc1 ZINC000386747857 323319927 /nfs/dbraw/zinc/31/99/27/323319927.db2.gz FUIWMESFTMBJBT-SFHVURJKSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000387312450 323323828 /nfs/dbraw/zinc/32/38/28/323323828.db2.gz OJZMSXBRENSXGO-RVKKMQEKSA-N 2 1 305.466 2.768 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000387494159 323325495 /nfs/dbraw/zinc/32/54/95/323325495.db2.gz AZVXJSLAKOGOIW-WBVHZDCISA-N 2 1 319.493 2.647 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](Cc1cccs1)C1CC1 ZINC000388070260 323329293 /nfs/dbraw/zinc/32/92/93/323329293.db2.gz KRCHNWLXUYMSJA-ROUUACIJSA-N 2 1 316.470 2.643 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1cccs1)C1CC1 ZINC000388070260 323329300 /nfs/dbraw/zinc/32/93/00/323329300.db2.gz KRCHNWLXUYMSJA-ROUUACIJSA-N 2 1 316.470 2.643 20 0 DFADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccccc1Cl ZINC000389725231 323335952 /nfs/dbraw/zinc/33/59/52/323335952.db2.gz PJNLSABDXRXEIC-OKILXGFUSA-N 2 1 321.852 2.600 20 0 DFADMP C[C@]1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000398024897 323356178 /nfs/dbraw/zinc/35/61/78/323356178.db2.gz XRBPPDIDYCPPES-GUDVDZBRSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000398024897 323356181 /nfs/dbraw/zinc/35/61/81/323356181.db2.gz XRBPPDIDYCPPES-GUDVDZBRSA-N 2 1 301.478 2.901 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000580445706 323387546 /nfs/dbraw/zinc/38/75/46/323387546.db2.gz ZHLSGADPRLBOML-OAHLLOKOSA-N 2 1 321.465 2.797 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000580445706 323387550 /nfs/dbraw/zinc/38/75/50/323387550.db2.gz ZHLSGADPRLBOML-OAHLLOKOSA-N 2 1 321.465 2.797 20 0 DFADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000584524245 337355557 /nfs/dbraw/zinc/35/55/57/337355557.db2.gz ZIWQZTRRLHIIGR-WOSRLPQWSA-N 2 1 318.852 2.880 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425919232 500631464 /nfs/dbraw/zinc/63/14/64/500631464.db2.gz ITZBFEXLAZJGOD-QWHCGFSZSA-N 2 1 307.438 2.502 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC000294716694 533859618 /nfs/dbraw/zinc/85/96/18/533859618.db2.gz CGNGQFDRFUWVMM-MGNMYUMUSA-N 2 1 300.446 2.767 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1[C@H](O)c1ccc(OC)cc1 ZINC000365191609 520606440 /nfs/dbraw/zinc/60/64/40/520606440.db2.gz SNNGJGRMCDEYBA-RTBURBONSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@H](O)c1ccc(OC)cc1 ZINC000365191609 520606447 /nfs/dbraw/zinc/60/64/47/520606447.db2.gz SNNGJGRMCDEYBA-RTBURBONSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1[C@@H](O)c1ccc(OC)cc1 ZINC000365191606 520607416 /nfs/dbraw/zinc/60/74/16/520607416.db2.gz SNNGJGRMCDEYBA-OALUTQOASA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1[C@@H](O)c1ccc(OC)cc1 ZINC000365191606 520607425 /nfs/dbraw/zinc/60/74/25/520607425.db2.gz SNNGJGRMCDEYBA-OALUTQOASA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1[C@H](O)c1ccc(OC)cc1 ZINC000365191608 520608709 /nfs/dbraw/zinc/60/87/09/520608709.db2.gz SNNGJGRMCDEYBA-RBUKOAKNSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1[C@H](O)c1ccc(OC)cc1 ZINC000365191608 520608714 /nfs/dbraw/zinc/60/87/14/520608714.db2.gz SNNGJGRMCDEYBA-RBUKOAKNSA-N 2 1 320.477 2.925 20 0 DFADMP NC(=O)c1c[nH+]ccc1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000302213563 534509821 /nfs/dbraw/zinc/50/98/21/534509821.db2.gz HSZPDRXPBRUQSP-MRXNPFEDSA-N 2 1 324.428 2.647 20 0 DFADMP NC(=O)c1c[nH+]ccc1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000302213563 534509823 /nfs/dbraw/zinc/50/98/23/534509823.db2.gz HSZPDRXPBRUQSP-MRXNPFEDSA-N 2 1 324.428 2.647 20 0 DFADMP Cc1ccc2[nH+]ccc(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000302159509 534520087 /nfs/dbraw/zinc/52/00/87/534520087.db2.gz OLJLUAMCWBWUSM-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3C)CC1 ZINC000154459843 521680486 /nfs/dbraw/zinc/68/04/86/521680486.db2.gz OPSTYXBJQHSBOU-HXUWFJFHSA-N 2 1 315.505 2.990 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@H](C)C1 ZINC000361396096 521707856 /nfs/dbraw/zinc/70/78/56/521707856.db2.gz DIBRLSSMBIYSIE-WBVHZDCISA-N 2 1 314.539 2.856 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000163269364 521710605 /nfs/dbraw/zinc/71/06/05/521710605.db2.gz SNZDXKJLJICYNC-HOTGVXAUSA-N 2 1 315.461 2.806 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000163466839 522005697 /nfs/dbraw/zinc/00/56/97/522005697.db2.gz CECVNIFRVRZFGN-UHFFFAOYSA-N 2 1 322.474 2.843 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(OC)c1 ZINC000154828681 522812574 /nfs/dbraw/zinc/81/25/74/522812574.db2.gz FTGBGRUXVMKENZ-GOSISDBHSA-N 2 1 306.450 2.847 20 0 DFADMP Cc1[nH+]c2ccccc2c(NC[C@@H](C)N2CC[NH+](C)CC2)c1C ZINC000302101707 534670965 /nfs/dbraw/zinc/67/09/65/534670965.db2.gz VILNZHRBEWPWOY-CQSZACIVSA-N 2 1 312.461 2.899 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCC2OCCO2)CC1 ZINC000363839751 523350151 /nfs/dbraw/zinc/35/01/51/523350151.db2.gz ZNEMZVXEAIEJSM-SFHVURJKSA-N 2 1 318.461 2.736 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](CCC2OCCO2)CC1 ZINC000363839751 523350160 /nfs/dbraw/zinc/35/01/60/523350160.db2.gz ZNEMZVXEAIEJSM-SFHVURJKSA-N 2 1 318.461 2.736 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000363839751 523350169 /nfs/dbraw/zinc/35/01/69/523350169.db2.gz ZNEMZVXEAIEJSM-SFHVURJKSA-N 2 1 318.461 2.736 20 0 DFADMP Cc1cnn(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310219072 534742699 /nfs/dbraw/zinc/74/26/99/534742699.db2.gz FSPIDZROIXGFFX-PMACEKPBSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1cnn(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310219072 534742703 /nfs/dbraw/zinc/74/27/03/534742703.db2.gz FSPIDZROIXGFFX-PMACEKPBSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1cnn(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310219072 534742706 /nfs/dbraw/zinc/74/27/06/534742706.db2.gz FSPIDZROIXGFFX-PMACEKPBSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310320787 534774679 /nfs/dbraw/zinc/77/46/79/534774679.db2.gz YPIAYMWLCUCSPL-WOJBJXKFSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310320787 534774682 /nfs/dbraw/zinc/77/46/82/534774682.db2.gz YPIAYMWLCUCSPL-WOJBJXKFSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310320787 534774688 /nfs/dbraw/zinc/77/46/88/534774688.db2.gz YPIAYMWLCUCSPL-WOJBJXKFSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000163311871 527398689 /nfs/dbraw/zinc/39/86/89/527398689.db2.gz AOUGWLJXVFRLJU-QGZVFWFLSA-N 2 1 300.406 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000163311871 527398696 /nfs/dbraw/zinc/39/86/96/527398696.db2.gz AOUGWLJXVFRLJU-QGZVFWFLSA-N 2 1 300.406 2.520 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000364828090 527625285 /nfs/dbraw/zinc/62/52/85/527625285.db2.gz CWLNNAKVCOHTPT-GDBMZVCRSA-N 2 1 302.466 2.663 20 0 DFADMP CC(C)[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309747969 527732712 /nfs/dbraw/zinc/73/27/12/527732712.db2.gz YHFAVRGGLYQVLO-LJQANCHMSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)OCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310017776 527963279 /nfs/dbraw/zinc/96/32/79/527963279.db2.gz PFBYBKTZSYKSQF-OALUTQOASA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310017776 527963289 /nfs/dbraw/zinc/96/32/89/527963289.db2.gz PFBYBKTZSYKSQF-OALUTQOASA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310017776 527963295 /nfs/dbraw/zinc/96/32/95/527963295.db2.gz PFBYBKTZSYKSQF-OALUTQOASA-N 2 1 302.462 2.865 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[nH]c1C ZINC000295684671 528167630 /nfs/dbraw/zinc/16/76/30/528167630.db2.gz LEMKBLVWVMZLFI-VHRNVKJDSA-N 2 1 319.449 2.605 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)[nH]c1C ZINC000294973882 528168819 /nfs/dbraw/zinc/16/88/19/528168819.db2.gz GMKKMCBDNIJMOC-HNNXBMFYSA-N 2 1 321.465 2.710 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[nH]c1C ZINC000294973882 528168823 /nfs/dbraw/zinc/16/88/23/528168823.db2.gz GMKKMCBDNIJMOC-HNNXBMFYSA-N 2 1 321.465 2.710 20 0 DFADMP CCOCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309976972 528670800 /nfs/dbraw/zinc/67/08/00/528670800.db2.gz RSWDUODKDQZZRE-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP CCOCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309976972 528670803 /nfs/dbraw/zinc/67/08/03/528670803.db2.gz RSWDUODKDQZZRE-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP CCOCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309976972 528670805 /nfs/dbraw/zinc/67/08/05/528670805.db2.gz RSWDUODKDQZZRE-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP CC(C)C[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000172056937 535067912 /nfs/dbraw/zinc/06/79/12/535067912.db2.gz QMIOVXGTERSTGN-UHFFFAOYSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000261959164 535153908 /nfs/dbraw/zinc/15/39/08/535153908.db2.gz PIFHBTDVLNUSEE-KURKYZTESA-N 2 1 320.452 2.850 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000361272589 535321223 /nfs/dbraw/zinc/32/12/23/535321223.db2.gz QCWPJXOHIDXZDZ-ROUUACIJSA-N 2 1 323.525 2.974 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000354706705 535497108 /nfs/dbraw/zinc/49/71/08/535497108.db2.gz BOIYYCSSHSSCKK-BBWFWOEESA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000354706705 535497109 /nfs/dbraw/zinc/49/71/09/535497109.db2.gz BOIYYCSSHSSCKK-BBWFWOEESA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000354706705 535497110 /nfs/dbraw/zinc/49/71/10/535497110.db2.gz BOIYYCSSHSSCKK-BBWFWOEESA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000361030018 535581181 /nfs/dbraw/zinc/58/11/81/535581181.db2.gz SOQKKFWQTXURNM-DOTOQJQBSA-N 2 1 319.497 2.533 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000262025330 535862327 /nfs/dbraw/zinc/86/23/27/535862327.db2.gz YCBNCRZLQHLMFI-OAHLLOKOSA-N 2 1 303.450 2.557 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)[C@@H]1C ZINC000354490076 536319151 /nfs/dbraw/zinc/31/91/51/536319151.db2.gz BWWQSSYGLZUZSI-SPUZQDLCSA-N 2 1 322.493 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]1C ZINC000354490076 536319155 /nfs/dbraw/zinc/31/91/55/536319155.db2.gz BWWQSSYGLZUZSI-SPUZQDLCSA-N 2 1 322.493 2.818 20 0 DFADMP C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000261785846 536485270 /nfs/dbraw/zinc/48/52/70/536485270.db2.gz FTDFGCUKSWKLCT-SFHVURJKSA-N 2 1 316.424 2.644 20 0 DFADMP C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000261785846 536485272 /nfs/dbraw/zinc/48/52/72/536485272.db2.gz FTDFGCUKSWKLCT-SFHVURJKSA-N 2 1 316.424 2.644 20 0 DFADMP COc1ccccc1OCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000173953856 537094252 /nfs/dbraw/zinc/09/42/52/537094252.db2.gz OGTYZYAKIILSDG-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccccc1OCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000173953856 537094256 /nfs/dbraw/zinc/09/42/56/537094256.db2.gz OGTYZYAKIILSDG-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccccc1OCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173953856 537094248 /nfs/dbraw/zinc/09/42/48/537094248.db2.gz OGTYZYAKIILSDG-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccccc1OCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000173953856 537094250 /nfs/dbraw/zinc/09/42/50/537094250.db2.gz OGTYZYAKIILSDG-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP CC[N@H+]1C[C@H](NCc2c[nH]nc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000680933433 545566166 /nfs/dbraw/zinc/56/61/66/545566166.db2.gz XGKWASDHFWSJLQ-LRDDRELGSA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2c[nH]nc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000680933433 545566168 /nfs/dbraw/zinc/56/61/68/545566168.db2.gz XGKWASDHFWSJLQ-LRDDRELGSA-N 2 1 302.397 2.646 20 0 DFADMP CN(C)C1(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000682169800 545812955 /nfs/dbraw/zinc/81/29/55/545812955.db2.gz MYBHMRFTTVZPBZ-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP CN(C)C1(C[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCC1 ZINC000682169800 545812960 /nfs/dbraw/zinc/81/29/60/545812960.db2.gz MYBHMRFTTVZPBZ-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCCS2)cc1 ZINC000682671598 545893704 /nfs/dbraw/zinc/89/37/04/545893704.db2.gz ZXIIFLHDQQAYPK-KTGAGVNESA-N 2 1 302.487 2.992 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCCS2)cc1 ZINC000682671598 545893708 /nfs/dbraw/zinc/89/37/08/545893708.db2.gz ZXIIFLHDQQAYPK-KTGAGVNESA-N 2 1 302.487 2.992 20 0 DFADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000682913732 545939750 /nfs/dbraw/zinc/93/97/50/545939750.db2.gz FHMWTEFKVNHTCP-IACUBPJLSA-N 2 1 308.388 2.542 20 0 DFADMP Fc1ccc2nc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)sc2c1 ZINC000683470627 546038451 /nfs/dbraw/zinc/03/84/51/546038451.db2.gz GIJVOCZVJDJMNS-NSHDSACASA-N 2 1 316.405 2.984 20 0 DFADMP Clc1ccc2ncc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000683472315 546039959 /nfs/dbraw/zinc/03/99/59/546039959.db2.gz GZOXFTKBZGTHLX-LBPRGKRZSA-N 2 1 315.808 2.536 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000683693027 546076897 /nfs/dbraw/zinc/07/68/97/546076897.db2.gz ZNQXFHSFUUJSIR-DDBAPUKQSA-N 2 1 302.462 2.931 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCSC(C)(C)CC1 ZINC000684002357 546135058 /nfs/dbraw/zinc/13/50/58/546135058.db2.gz FDDKJQHQSDDXCZ-QGZVFWFLSA-N 2 1 322.518 2.697 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCSC(C)(C)CC1 ZINC000684002357 546135064 /nfs/dbraw/zinc/13/50/64/546135064.db2.gz FDDKJQHQSDDXCZ-QGZVFWFLSA-N 2 1 322.518 2.697 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000684002357 546135069 /nfs/dbraw/zinc/13/50/69/546135069.db2.gz FDDKJQHQSDDXCZ-QGZVFWFLSA-N 2 1 322.518 2.697 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCSC(C)(C)CC1 ZINC000684002357 546135073 /nfs/dbraw/zinc/13/50/73/546135073.db2.gz FDDKJQHQSDDXCZ-QGZVFWFLSA-N 2 1 322.518 2.697 20 0 DFADMP C[C@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684149277 546159524 /nfs/dbraw/zinc/15/95/24/546159524.db2.gz WPZAFDGKTZWLBY-FUHWJXTLSA-N 2 1 320.477 2.752 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000684368800 546202144 /nfs/dbraw/zinc/20/21/44/546202144.db2.gz UNECMINJTYXZRF-OALUTQOASA-N 2 1 302.462 2.982 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000684368800 546202149 /nfs/dbraw/zinc/20/21/49/546202149.db2.gz UNECMINJTYXZRF-OALUTQOASA-N 2 1 302.462 2.982 20 0 DFADMP CC(C)C[C@@H](C[NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000684375726 546203845 /nfs/dbraw/zinc/20/38/45/546203845.db2.gz AKBREDGCIHVWKG-SFHVURJKSA-N 2 1 304.478 2.863 20 0 DFADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000684956541 546308725 /nfs/dbraw/zinc/30/87/25/546308725.db2.gz GFEUXNTWQNWWLI-MAUKXSAKSA-N 2 1 315.461 2.550 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471119 546357738 /nfs/dbraw/zinc/35/77/38/546357738.db2.gz NCIFZMROXMLMNM-XYJFISCASA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471119 546357739 /nfs/dbraw/zinc/35/77/39/546357739.db2.gz NCIFZMROXMLMNM-XYJFISCASA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471119 546357741 /nfs/dbraw/zinc/35/77/41/546357741.db2.gz NCIFZMROXMLMNM-XYJFISCASA-N 2 1 300.446 2.969 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cccc2cnccc21)CC[NH+](C)C ZINC000685475835 546359378 /nfs/dbraw/zinc/35/93/78/546359378.db2.gz MQKVBUJHTIUJFD-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP COc1ccc(F)cc1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685576445 546369914 /nfs/dbraw/zinc/36/99/14/546369914.db2.gz KVFKOSNVTAEIOA-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685576445 546369919 /nfs/dbraw/zinc/36/99/19/546369919.db2.gz KVFKOSNVTAEIOA-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP C/C(=C\c1ccccc1OC(F)F)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000685839039 546397016 /nfs/dbraw/zinc/39/70/16/546397016.db2.gz RAILCFPJIIPIEX-GXZKXHAVSA-N 2 1 308.372 2.843 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278516225 214205797 /nfs/dbraw/zinc/20/57/97/214205797.db2.gz MMQKYOKBRRPBAV-HZPDHXFCSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278516225 214205799 /nfs/dbraw/zinc/20/57/99/214205799.db2.gz MMQKYOKBRRPBAV-HZPDHXFCSA-N 2 1 308.441 2.847 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000164706251 197661683 /nfs/dbraw/zinc/66/16/83/197661683.db2.gz NGJZKRYBQSTOAN-OAHLLOKOSA-N 2 1 324.432 2.903 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278626219 214284909 /nfs/dbraw/zinc/28/49/09/214284909.db2.gz RRYVIAYAOJREAW-JKSUJKDBSA-N 2 1 306.450 2.847 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000079000045 185144236 /nfs/dbraw/zinc/14/42/36/185144236.db2.gz MUIRSYZCGNZULS-UHFFFAOYSA-N 2 1 304.434 2.812 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296636 199278338 /nfs/dbraw/zinc/27/83/38/199278338.db2.gz FVJIYMIMZZVPIQ-GOEBONIOSA-N 2 1 317.433 2.778 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000278755215 214377744 /nfs/dbraw/zinc/37/77/44/214377744.db2.gz NMKYKKVSKOKHMT-AWEZNQCLSA-N 2 1 303.381 2.773 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cs2)CCCO1 ZINC000278764657 214384315 /nfs/dbraw/zinc/38/43/15/214384315.db2.gz OFRMURFFGNEQQA-LBPRGKRZSA-N 2 1 302.871 2.992 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cs2)CCCO1 ZINC000278764657 214384318 /nfs/dbraw/zinc/38/43/18/214384318.db2.gz OFRMURFFGNEQQA-LBPRGKRZSA-N 2 1 302.871 2.992 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000081552263 398358059 /nfs/dbraw/zinc/35/80/59/398358059.db2.gz CQMXIHWODMWKFM-KURKYZTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000081552263 398358064 /nfs/dbraw/zinc/35/80/64/398358064.db2.gz CQMXIHWODMWKFM-KURKYZTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081552263 398358067 /nfs/dbraw/zinc/35/80/67/398358067.db2.gz CQMXIHWODMWKFM-KURKYZTESA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000081635848 398364214 /nfs/dbraw/zinc/36/42/14/398364214.db2.gz AYHHTOAUABPSJZ-MRXNPFEDSA-N 2 1 306.425 2.868 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000081635848 398364217 /nfs/dbraw/zinc/36/42/17/398364217.db2.gz AYHHTOAUABPSJZ-MRXNPFEDSA-N 2 1 306.425 2.868 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000081635848 398364221 /nfs/dbraw/zinc/36/42/21/398364221.db2.gz AYHHTOAUABPSJZ-MRXNPFEDSA-N 2 1 306.425 2.868 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000081635848 398364226 /nfs/dbraw/zinc/36/42/26/398364226.db2.gz AYHHTOAUABPSJZ-MRXNPFEDSA-N 2 1 306.425 2.868 20 0 DFADMP C[C@@]1(C[NH2+]Cc2sccc2Br)CCC[NH2+]C1 ZINC000087576045 185228753 /nfs/dbraw/zinc/22/87/53/185228753.db2.gz PINGCGYVQIOKLB-GFCCVEGCSA-N 2 1 303.269 2.990 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237078231 398367006 /nfs/dbraw/zinc/36/70/06/398367006.db2.gz WZSOJBSTCOCHFK-ZWKOTPCHSA-N 2 1 317.477 2.799 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCOC(C)(C)C ZINC000354729267 282215878 /nfs/dbraw/zinc/21/58/78/282215878.db2.gz ISIYFYBDEOZZNP-ZACQAIPSSA-N 2 1 312.498 2.765 20 0 DFADMP C(C1CCCC1)[NH+]1CCC([NH2+]C2CCN(C3CC3)CC2)CC1 ZINC000459386444 299093153 /nfs/dbraw/zinc/09/31/53/299093153.db2.gz HFEMEYGXWPYCST-UHFFFAOYSA-N 2 1 305.510 2.857 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000092719510 185336313 /nfs/dbraw/zinc/33/63/13/185336313.db2.gz UWRWKDLXVRWXOW-LBPRGKRZSA-N 2 1 313.511 2.879 20 0 DFADMP Cc1ccc(O)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000092813083 185343553 /nfs/dbraw/zinc/34/35/53/185343553.db2.gz PQVLYDGFGVDPNQ-HNNXBMFYSA-N 2 1 312.417 2.733 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)OCc2ccccc2)CC1 ZINC000181470144 199302111 /nfs/dbraw/zinc/30/21/11/199302111.db2.gz CCSRRYHSBVPCFF-UHFFFAOYSA-N 2 1 318.461 2.926 20 0 DFADMP CCn1c2ccccc2nc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000584735646 398405763 /nfs/dbraw/zinc/40/57/63/398405763.db2.gz CFDPJFYLTOXTIT-IBGZPJMESA-N 2 1 312.461 2.974 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCn1cc(Cl)cn1 ZINC000459415959 299100813 /nfs/dbraw/zinc/10/08/13/299100813.db2.gz BRGBSIADAUKRFU-UHFFFAOYSA-N 2 1 309.845 2.708 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1cc(Cl)cn1 ZINC000459415959 299100814 /nfs/dbraw/zinc/10/08/14/299100814.db2.gz BRGBSIADAUKRFU-UHFFFAOYSA-N 2 1 309.845 2.708 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000066960751 398410973 /nfs/dbraw/zinc/41/09/73/398410973.db2.gz OFJVFKXFINQVBJ-HOTGVXAUSA-N 2 1 311.514 2.734 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@@H](C)CC)CC1 ZINC000066960753 398410983 /nfs/dbraw/zinc/41/09/83/398410983.db2.gz OFJVFKXFINQVBJ-JKSUJKDBSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262672999 398433538 /nfs/dbraw/zinc/43/35/38/398433538.db2.gz PUVAGCDAACFJNK-OIISXLGYSA-N 2 1 315.461 2.984 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493588 398433648 /nfs/dbraw/zinc/43/36/48/398433648.db2.gz XDBHXNQFVRYGGJ-ULQDDVLXSA-N 2 1 308.466 2.572 20 0 DFADMP COC(=O)[C@H](CC(C)(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000592525461 398441822 /nfs/dbraw/zinc/44/18/22/398441822.db2.gz MAXCYRPDOIIEOH-INIZCTEOSA-N 2 1 319.449 2.618 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297442829 529959392 /nfs/dbraw/zinc/95/93/92/529959392.db2.gz GJOBPICZPNJXAT-FHWLQOOXSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCC[C@H]1c1ccccc1 ZINC000297442829 529959393 /nfs/dbraw/zinc/95/93/93/529959393.db2.gz GJOBPICZPNJXAT-FHWLQOOXSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000297442829 529959394 /nfs/dbraw/zinc/95/93/94/529959394.db2.gz GJOBPICZPNJXAT-FHWLQOOXSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000297442829 529959395 /nfs/dbraw/zinc/95/93/95/529959395.db2.gz GJOBPICZPNJXAT-FHWLQOOXSA-N 2 1 302.462 2.710 20 0 DFADMP Cc1ccc(N2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)[nH+]c1 ZINC000459443878 299108073 /nfs/dbraw/zinc/10/80/73/299108073.db2.gz YKCVACIWMOYMJS-UHFFFAOYSA-N 2 1 323.444 2.816 20 0 DFADMP C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299598069 530062777 /nfs/dbraw/zinc/06/27/77/530062777.db2.gz XHLVRFOVKNNLEL-KRWDZBQOSA-N 2 1 301.434 2.705 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H]2CCC[C@H]21 ZINC000586791443 398460218 /nfs/dbraw/zinc/46/02/18/398460218.db2.gz CNPBVBYWEWYDPS-HRCADAONSA-N 2 1 310.482 2.961 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627552 398460399 /nfs/dbraw/zinc/46/03/99/398460399.db2.gz MWBVWRVUDYHBHM-RDJZCZTQSA-N 2 1 313.445 2.934 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450564 398486350 /nfs/dbraw/zinc/48/63/50/398486350.db2.gz GLVNJPFCUIWIQX-GWCFXTLKSA-N 2 1 318.248 2.697 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000090450563 398486620 /nfs/dbraw/zinc/48/66/20/398486620.db2.gz GLVNJPFCUIWIQX-MFKMUULPSA-N 2 1 318.248 2.697 20 0 DFADMP CCOc1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)ccc1O ZINC000459521466 299124363 /nfs/dbraw/zinc/12/43/63/299124363.db2.gz TZXYJJGGXWXAKL-UHFFFAOYSA-N 2 1 304.434 2.851 20 0 DFADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CC1)OCCc1ccccc12 ZINC000459519323 299124445 /nfs/dbraw/zinc/12/44/45/299124445.db2.gz JOXXOOAAYHYMFI-UHFFFAOYSA-N 2 1 311.429 2.756 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920331 398496730 /nfs/dbraw/zinc/49/67/30/398496730.db2.gz YPFZWLHXZBSCED-ZRGWGRIASA-N 2 1 312.461 2.905 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272691510 210097827 /nfs/dbraw/zinc/09/78/27/210097827.db2.gz POABDWRNGIPBCB-RSPOEFSDSA-N 2 1 316.489 2.895 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH+]3CCCC3)[C@H]2C)c1C ZINC000286820194 219182067 /nfs/dbraw/zinc/18/20/67/219182067.db2.gz KIUKQVFBCNZXBR-WBVHZDCISA-N 2 1 303.450 2.766 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272674584 210078829 /nfs/dbraw/zinc/07/88/29/210078829.db2.gz QOFXJAMPHBLNSU-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272674584 210078831 /nfs/dbraw/zinc/07/88/31/210078831.db2.gz QOFXJAMPHBLNSU-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272674584 210078835 /nfs/dbraw/zinc/07/88/35/210078835.db2.gz QOFXJAMPHBLNSU-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272674584 210078837 /nfs/dbraw/zinc/07/88/37/210078837.db2.gz QOFXJAMPHBLNSU-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272674584 210078838 /nfs/dbraw/zinc/07/88/38/210078838.db2.gz QOFXJAMPHBLNSU-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)s1 ZINC000262007016 282506862 /nfs/dbraw/zinc/50/68/62/282506862.db2.gz VEPGBCILIRFUFP-BFHYXJOUSA-N 2 1 314.882 2.691 20 0 DFADMP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccn(C)n1 ZINC000414196033 295776619 /nfs/dbraw/zinc/77/66/19/295776619.db2.gz VMUZCGAMXCXOAE-HUUCEWRRSA-N 2 1 316.449 2.772 20 0 DFADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000319780806 398543601 /nfs/dbraw/zinc/54/36/01/398543601.db2.gz ZHDPRTKKSFVXTD-MSOLQXFVSA-N 2 1 301.478 2.652 20 0 DFADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000319780814 398543907 /nfs/dbraw/zinc/54/39/07/398543907.db2.gz ZHDPRTKKSFVXTD-ZWKOTPCHSA-N 2 1 301.478 2.652 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCCCn2cc[nH+]c2C)cc1F ZINC000597061042 398559194 /nfs/dbraw/zinc/55/91/94/398559194.db2.gz IMHNGJKYWZGAIC-UHFFFAOYSA-N 2 1 319.380 2.687 20 0 DFADMP Cc1ccc(Cl)cc1N1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000039448445 398559273 /nfs/dbraw/zinc/55/92/73/398559273.db2.gz LVLGAFZWAKMQOB-OAHLLOKOSA-N 2 1 307.869 2.770 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000323689595 398560434 /nfs/dbraw/zinc/56/04/34/398560434.db2.gz RFFWHRXCSQLCHE-SFHVURJKSA-N 2 1 323.525 2.863 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279818763 215171521 /nfs/dbraw/zinc/17/15/21/215171521.db2.gz YAXQGVRYVLYOOP-YLJYHZDGSA-N 2 1 312.457 2.627 20 0 DFADMP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414329267 295788478 /nfs/dbraw/zinc/78/84/78/295788478.db2.gz BBTWTETVFQGZRU-HLLBOEOZSA-N 2 1 309.498 2.532 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000597152676 398576511 /nfs/dbraw/zinc/57/65/11/398576511.db2.gz CBDBHYIANAUPDO-ZIAGYGMSSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2cnc3n2CCC3)C1 ZINC000597152676 398576513 /nfs/dbraw/zinc/57/65/13/398576513.db2.gz CBDBHYIANAUPDO-ZIAGYGMSSA-N 2 1 319.449 2.629 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cccc(OCCOC)c2)CC1 ZINC000069669183 398579507 /nfs/dbraw/zinc/57/95/07/398579507.db2.gz UIDCHNKBPPQMCY-UHFFFAOYSA-N 2 1 306.450 2.676 20 0 DFADMP COc1cc2c(cc1C[NH2+]CCCn1cc[nH+]c1C)O[C@@H](C)C2 ZINC000069754206 398582696 /nfs/dbraw/zinc/58/26/96/398582696.db2.gz WSTUILCNIXVVKZ-ZDUSSCGKSA-N 2 1 315.417 2.703 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188436 398593088 /nfs/dbraw/zinc/59/30/88/398593088.db2.gz BQFYRNJIFWTRAW-UHFFFAOYSA-N 2 1 309.841 2.648 20 0 DFADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000597221664 398595685 /nfs/dbraw/zinc/59/56/85/398595685.db2.gz VPGWYAIFJYOVPR-LEUOFYLZSA-N 2 1 316.445 2.581 20 0 DFADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000597221664 398595689 /nfs/dbraw/zinc/59/56/89/398595689.db2.gz VPGWYAIFJYOVPR-LEUOFYLZSA-N 2 1 316.445 2.581 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000092742006 398598086 /nfs/dbraw/zinc/59/80/86/398598086.db2.gz DLOLXAWMSMEJRA-ZNMIVQPWSA-N 2 1 309.429 2.761 20 0 DFADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(C(=O)OC)co1 ZINC000593323122 398599459 /nfs/dbraw/zinc/59/94/59/398599459.db2.gz QARPLVCKNXGABG-LBPRGKRZSA-N 2 1 302.374 2.636 20 0 DFADMP CCCC[NH+]1CCC(Nc2cncc(-n3cc[nH+]c3C)n2)CC1 ZINC000092892277 398605310 /nfs/dbraw/zinc/60/53/10/398605310.db2.gz HEYOLKSUHPKCIJ-UHFFFAOYSA-N 2 1 314.437 2.647 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000150788057 186065748 /nfs/dbraw/zinc/06/57/48/186065748.db2.gz GALHEADPFGNETG-INIZCTEOSA-N 2 1 303.450 2.625 20 0 DFADMP CSC[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093760721 398643149 /nfs/dbraw/zinc/64/31/49/398643149.db2.gz SNOMAWCZZXMEKO-MRXNPFEDSA-N 2 1 308.491 2.954 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000237451243 186290881 /nfs/dbraw/zinc/29/08/81/186290881.db2.gz LWXDXKQJGPSYFA-CQSZACIVSA-N 2 1 309.413 2.531 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000237451243 186290883 /nfs/dbraw/zinc/29/08/83/186290883.db2.gz LWXDXKQJGPSYFA-CQSZACIVSA-N 2 1 309.413 2.531 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000459723044 299172437 /nfs/dbraw/zinc/17/24/37/299172437.db2.gz CJSQGKNCLKSVDR-CYBMUJFWSA-N 2 1 304.463 2.960 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000268749218 186377767 /nfs/dbraw/zinc/37/77/67/186377767.db2.gz UKEFUQIIQXCTII-CQSZACIVSA-N 2 1 318.465 2.961 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459726055 299173903 /nfs/dbraw/zinc/17/39/03/299173903.db2.gz GBLFDDMFNAQAEL-HUUCEWRRSA-N 2 1 321.440 2.864 20 0 DFADMP COc1cc(OC)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000459726066 299174067 /nfs/dbraw/zinc/17/40/67/299174067.db2.gz GDMNSBQDQCYKPE-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP CCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459728608 299174843 /nfs/dbraw/zinc/17/48/43/299174843.db2.gz ILSPKPQEIYLBDA-OAHLLOKOSA-N 2 1 306.450 2.915 20 0 DFADMP Cc1noc(C[C@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)c2ccccc2)n1 ZINC000277248994 213394856 /nfs/dbraw/zinc/39/48/56/213394856.db2.gz QBNUZTDKRFAWGO-IRXDYDNUSA-N 2 1 314.433 2.736 20 0 DFADMP Cc1noc(C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)c2ccccc2)n1 ZINC000277248994 213394857 /nfs/dbraw/zinc/39/48/57/213394857.db2.gz QBNUZTDKRFAWGO-IRXDYDNUSA-N 2 1 314.433 2.736 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000414765490 295820022 /nfs/dbraw/zinc/82/00/22/295820022.db2.gz ZXIFLTBHCVBHFK-MRXNPFEDSA-N 2 1 304.482 2.772 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459735003 299176695 /nfs/dbraw/zinc/17/66/95/299176695.db2.gz PGZZMZJMUNHSMO-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414826488 295822646 /nfs/dbraw/zinc/82/26/46/295822646.db2.gz WBBLGZRUNRKVKT-DZGCQCFKSA-N 2 1 316.424 2.798 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414840738 295824807 /nfs/dbraw/zinc/82/48/07/295824807.db2.gz HFDASAUSNKQCFB-ZWNOBZJWSA-N 2 1 315.230 2.861 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414851289 295826004 /nfs/dbraw/zinc/82/60/04/295826004.db2.gz IXFVAVOFYFSCLG-RYUDHWBXSA-N 2 1 312.841 2.835 20 0 DFADMP CC(C)(C)C(=O)N1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414855858 295826684 /nfs/dbraw/zinc/82/66/84/295826684.db2.gz XOURRNYMVYBSOA-INIZCTEOSA-N 2 1 309.498 2.521 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1O ZINC000277226649 213379750 /nfs/dbraw/zinc/37/97/50/213379750.db2.gz MWIJWHMZHRKRRA-CYBMUJFWSA-N 2 1 303.406 2.517 20 0 DFADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172047212 198030527 /nfs/dbraw/zinc/03/05/27/198030527.db2.gz HJLNSHYUFDRZMP-INIZCTEOSA-N 2 1 318.465 2.554 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)CCC3)CC1 ZINC000172290010 198071703 /nfs/dbraw/zinc/07/17/03/198071703.db2.gz WATGKRWEZDXSNE-INIZCTEOSA-N 2 1 316.489 2.700 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3c(c2)CCC3)CC1 ZINC000172290013 198071706 /nfs/dbraw/zinc/07/17/06/198071706.db2.gz WATGKRWEZDXSNE-MRXNPFEDSA-N 2 1 316.489 2.700 20 0 DFADMP [NH3+][C@@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C1CC1 ZINC000414895471 295831758 /nfs/dbraw/zinc/83/17/58/295831758.db2.gz XNSVTBIJTWAOGY-LBPRGKRZSA-N 2 1 306.303 2.594 20 0 DFADMP CC[N@@H+](CCC[NH2+]C1CC(CC(=O)OC)C1)C1CCCCC1 ZINC000593660934 398667098 /nfs/dbraw/zinc/66/70/98/398667098.db2.gz RXJKRHNKXQHIKA-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@H]3CC[NH2+]C3)cc2c1 ZINC000414917663 295834879 /nfs/dbraw/zinc/83/48/79/295834879.db2.gz SEYYXIVANSGJDM-INIZCTEOSA-N 2 1 324.472 2.924 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000280113135 215385200 /nfs/dbraw/zinc/38/52/00/215385200.db2.gz NSOPOFVARHSZHO-SJLPKXTDSA-N 2 1 301.478 2.975 20 0 DFADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1OC(F)F ZINC000414949943 295839184 /nfs/dbraw/zinc/83/91/84/295839184.db2.gz OBTKVDILVNYOAZ-AAEUAGOBSA-N 2 1 314.376 2.917 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000414960836 295841259 /nfs/dbraw/zinc/84/12/59/295841259.db2.gz YLGIIWAQYVNJEI-DGCLKSJQSA-N 2 1 314.376 2.917 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786276 398673760 /nfs/dbraw/zinc/67/37/60/398673760.db2.gz LZPZEZLZIONIIP-CVEARBPZSA-N 2 1 311.514 2.732 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@@H]2C)CC1 ZINC000590786494 398674156 /nfs/dbraw/zinc/67/41/56/398674156.db2.gz FAYDWMLEQCMJJO-WMZOPIPTSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122024978 282822804 /nfs/dbraw/zinc/82/28/04/282822804.db2.gz QOVJKAKWERGKJB-HZPDHXFCSA-N 2 1 323.481 2.649 20 0 DFADMP CO[C@@H]1COC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000459777180 299189308 /nfs/dbraw/zinc/18/93/08/299189308.db2.gz YQQPAGHXTJUNTJ-JKSUJKDBSA-N 2 1 312.498 2.669 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2o1 ZINC000172805674 198152318 /nfs/dbraw/zinc/15/23/18/198152318.db2.gz SWTYXFFNNXVXCY-AWEZNQCLSA-N 2 1 316.401 2.603 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)ccc2o1 ZINC000172805674 198152320 /nfs/dbraw/zinc/15/23/20/198152320.db2.gz SWTYXFFNNXVXCY-AWEZNQCLSA-N 2 1 316.401 2.603 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415005657 295846388 /nfs/dbraw/zinc/84/63/88/295846388.db2.gz JJWBMKQXYGDYOR-SFYZADRCSA-N 2 1 323.181 2.876 20 0 DFADMP COc1ccc2oc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)cc2c1 ZINC000415009414 295847139 /nfs/dbraw/zinc/84/71/39/295847139.db2.gz XHABGHACLRJPNJ-GFCCVEGCSA-N 2 1 310.344 2.776 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000459783478 299191648 /nfs/dbraw/zinc/19/16/48/299191648.db2.gz NHPBAHZQHXCWBA-JTQLQIEISA-N 2 1 307.385 2.983 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173494691 198220714 /nfs/dbraw/zinc/22/07/14/198220714.db2.gz ZWTSSPVANFKOJH-QGZVFWFLSA-N 2 1 315.461 2.741 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415071533 295854403 /nfs/dbraw/zinc/85/44/03/295854403.db2.gz WMCQFOFJRRLADE-BBRMVZONSA-N 2 1 306.450 2.742 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277135903 213318063 /nfs/dbraw/zinc/31/80/63/213318063.db2.gz IRDQCGKCXCOOFK-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277135903 213318066 /nfs/dbraw/zinc/31/80/66/213318066.db2.gz IRDQCGKCXCOOFK-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000404365966 398691426 /nfs/dbraw/zinc/69/14/26/398691426.db2.gz HHXKYBNWHMTCPU-GXTWGEPZSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000404365966 398691431 /nfs/dbraw/zinc/69/14/31/398691431.db2.gz HHXKYBNWHMTCPU-GXTWGEPZSA-N 2 1 307.394 2.553 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)s2)CC1 ZINC000105476644 398693367 /nfs/dbraw/zinc/69/33/67/398693367.db2.gz WGJRIRFSSPFJQS-UHFFFAOYSA-N 2 1 301.887 2.519 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174206913 198306332 /nfs/dbraw/zinc/30/63/32/198306332.db2.gz AHSYPVDIGWDTTF-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP Cn1cncc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000174452306 198336565 /nfs/dbraw/zinc/33/65/65/198336565.db2.gz GWYXKLWJZJNXMZ-UHFFFAOYSA-N 2 1 324.428 2.935 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000277063012 213272213 /nfs/dbraw/zinc/27/22/13/213272213.db2.gz NNCQHWGDLKABTA-PMPSAXMXSA-N 2 1 317.477 2.661 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000594014377 398721853 /nfs/dbraw/zinc/72/18/53/398721853.db2.gz CJOXGFLXGLOELF-OAHLLOKOSA-N 2 1 321.465 2.939 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1CC(=O)OC(C)(C)C ZINC000594014377 398721857 /nfs/dbraw/zinc/72/18/57/398721857.db2.gz CJOXGFLXGLOELF-OAHLLOKOSA-N 2 1 321.465 2.939 20 0 DFADMP CCOC(=O)[C@H]([NH2+]CCCn1ccnc1)C1CCCCCC1 ZINC000594046161 398730443 /nfs/dbraw/zinc/73/04/43/398730443.db2.gz DYBTWGIAXPGJIU-MRXNPFEDSA-N 2 1 307.438 2.765 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000074194265 398730640 /nfs/dbraw/zinc/73/06/40/398730640.db2.gz ODAVSABQXLASLC-UHFFFAOYSA-N 2 1 320.481 2.728 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000133037463 283137587 /nfs/dbraw/zinc/13/75/87/283137587.db2.gz QSJPQYIMFGBLMY-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000591472598 398765221 /nfs/dbraw/zinc/76/52/21/398765221.db2.gz ONLBRDRMMXUAGY-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000591472598 398765224 /nfs/dbraw/zinc/76/52/24/398765224.db2.gz ONLBRDRMMXUAGY-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000591472598 398765225 /nfs/dbraw/zinc/76/52/25/398765225.db2.gz ONLBRDRMMXUAGY-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000591472598 398765226 /nfs/dbraw/zinc/76/52/26/398765226.db2.gz ONLBRDRMMXUAGY-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000591472598 398765229 /nfs/dbraw/zinc/76/52/29/398765229.db2.gz ONLBRDRMMXUAGY-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OC)cc2)C1 ZINC000081569408 192292559 /nfs/dbraw/zinc/29/25/59/192292559.db2.gz OUMMWGAHHHRLBZ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccc(OC)cc2)C1 ZINC000081569408 192292562 /nfs/dbraw/zinc/29/25/62/192292562.db2.gz OUMMWGAHHHRLBZ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000081569408 192292563 /nfs/dbraw/zinc/29/25/63/192292563.db2.gz OUMMWGAHHHRLBZ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000081569408 192292565 /nfs/dbraw/zinc/29/25/65/192292565.db2.gz OUMMWGAHHHRLBZ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000081569798 192294050 /nfs/dbraw/zinc/29/40/50/192294050.db2.gz OZEPVRSIUAYHIY-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000081569798 192294052 /nfs/dbraw/zinc/29/40/52/192294052.db2.gz OZEPVRSIUAYHIY-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000081569798 192294055 /nfs/dbraw/zinc/29/40/55/192294055.db2.gz OZEPVRSIUAYHIY-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C(CC)(CC)C[NH3+])c1 ZINC000236875385 202047865 /nfs/dbraw/zinc/04/78/65/202047865.db2.gz IRZPLUIITAJXST-UHFFFAOYSA-N 2 1 305.466 2.520 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236909145 202065133 /nfs/dbraw/zinc/06/51/33/202065133.db2.gz TYJYYWUXKPIYHU-QZTJIDSGSA-N 2 1 317.477 2.532 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000121214027 398786872 /nfs/dbraw/zinc/78/68/72/398786872.db2.gz TWVQPOLSKWOSBW-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP CN1CCC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000121214027 398786874 /nfs/dbraw/zinc/78/68/74/398786874.db2.gz TWVQPOLSKWOSBW-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@@H+]1CCC[C@@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000121214027 398786877 /nfs/dbraw/zinc/78/68/77/398786877.db2.gz TWVQPOLSKWOSBW-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@H+]1CCC[C@@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000121214027 398786880 /nfs/dbraw/zinc/78/68/80/398786880.db2.gz TWVQPOLSKWOSBW-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+]1CCC[C@@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000121214027 398786882 /nfs/dbraw/zinc/78/68/82/398786882.db2.gz TWVQPOLSKWOSBW-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+]1CCC[C@@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000121214027 398786883 /nfs/dbraw/zinc/78/68/83/398786883.db2.gz TWVQPOLSKWOSBW-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000237000785 202116073 /nfs/dbraw/zinc/11/60/73/202116073.db2.gz QRLOKGSBZVYCIA-BQFCYCMXSA-N 2 1 323.525 2.863 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000237082133 202146680 /nfs/dbraw/zinc/14/66/80/202146680.db2.gz KKKDJEPTALZLPI-WMLDXEAASA-N 2 1 305.466 2.516 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000365754236 283209551 /nfs/dbraw/zinc/20/95/51/283209551.db2.gz UEEBPJOLWATJNS-SJORKVTESA-N 2 1 309.498 2.584 20 0 DFADMP C[N@@H+](CCCNC(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000237073667 202143954 /nfs/dbraw/zinc/14/39/54/202143954.db2.gz ZDCVRKOHEHDHCA-UHFFFAOYSA-N 2 1 303.450 2.530 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000591835639 398794114 /nfs/dbraw/zinc/79/41/14/398794114.db2.gz YEEKFTZACFUCNS-SOUVJXGZSA-N 2 1 306.479 2.546 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000591835636 398793967 /nfs/dbraw/zinc/79/39/67/398793967.db2.gz YEEKFTZACFUCNS-QLFBSQMISA-N 2 1 306.479 2.546 20 0 DFADMP C[NH2+]CCCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237185149 202181432 /nfs/dbraw/zinc/18/14/32/202181432.db2.gz HKVLNYDWLVOMMJ-INIZCTEOSA-N 2 1 317.477 2.677 20 0 DFADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000237190958 202182388 /nfs/dbraw/zinc/18/23/88/202182388.db2.gz RAWNKQJNDCJNKK-ZDUSSCGKSA-N 2 1 303.406 2.635 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1 ZINC000237221060 202193304 /nfs/dbraw/zinc/19/33/04/202193304.db2.gz NRQHIEWBWDXLEK-OAHLLOKOSA-N 2 1 304.434 2.685 20 0 DFADMP CC[C@@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000136073823 283234874 /nfs/dbraw/zinc/23/48/74/283234874.db2.gz KQBGQFSMUWYBAP-HZPDHXFCSA-N 2 1 303.450 2.766 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000136073823 283234876 /nfs/dbraw/zinc/23/48/76/283234876.db2.gz KQBGQFSMUWYBAP-HZPDHXFCSA-N 2 1 303.450 2.766 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000179523673 199050687 /nfs/dbraw/zinc/05/06/87/199050687.db2.gz AMBRRVRRIJRYSO-MZTNWIODSA-N 2 1 323.431 2.782 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000179523673 199050689 /nfs/dbraw/zinc/05/06/89/199050689.db2.gz AMBRRVRRIJRYSO-MZTNWIODSA-N 2 1 323.431 2.782 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000179638040 199068159 /nfs/dbraw/zinc/06/81/59/199068159.db2.gz QZOJFITXNMVRKO-INIZCTEOSA-N 2 1 312.417 2.652 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000179638040 199068161 /nfs/dbraw/zinc/06/81/61/199068161.db2.gz QZOJFITXNMVRKO-INIZCTEOSA-N 2 1 312.417 2.652 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)c(C)o1 ZINC000594599583 398828217 /nfs/dbraw/zinc/82/82/17/398828217.db2.gz HMYCDWAVPUHZLJ-CQSZACIVSA-N 2 1 322.449 2.976 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c(C)o1 ZINC000594617814 398834426 /nfs/dbraw/zinc/83/44/26/398834426.db2.gz ZBUISYAWZBDQPY-AWEZNQCLSA-N 2 1 308.422 2.585 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c(C)o1 ZINC000594617814 398834429 /nfs/dbraw/zinc/83/44/29/398834429.db2.gz ZBUISYAWZBDQPY-AWEZNQCLSA-N 2 1 308.422 2.585 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000076032316 398834743 /nfs/dbraw/zinc/83/47/43/398834743.db2.gz QBFSKWOYEAPHOD-LEWJYISDSA-N 2 1 324.468 2.969 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000076032316 398834746 /nfs/dbraw/zinc/83/47/46/398834746.db2.gz QBFSKWOYEAPHOD-LEWJYISDSA-N 2 1 324.468 2.969 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000076032316 398834748 /nfs/dbraw/zinc/83/47/48/398834748.db2.gz QBFSKWOYEAPHOD-LEWJYISDSA-N 2 1 324.468 2.969 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000076032316 398834751 /nfs/dbraw/zinc/83/47/51/398834751.db2.gz QBFSKWOYEAPHOD-LEWJYISDSA-N 2 1 324.468 2.969 20 0 DFADMP c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000180104910 199117711 /nfs/dbraw/zinc/11/77/11/199117711.db2.gz QZNVZVAGKPDTTM-YQQQUEKLSA-N 3 1 310.445 2.668 20 0 DFADMP c1cn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)cn1 ZINC000180104910 199117712 /nfs/dbraw/zinc/11/77/12/199117712.db2.gz QZNVZVAGKPDTTM-YQQQUEKLSA-N 3 1 310.445 2.668 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000276686388 213046990 /nfs/dbraw/zinc/04/69/90/213046990.db2.gz UFBMTKVIIXVCSU-OWYHZJEWSA-N 2 1 302.462 2.648 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+][C@H]2CCCOC2)C3)cc1 ZINC000180126160 199120106 /nfs/dbraw/zinc/12/01/06/199120106.db2.gz QEIXJLQUGJNOCV-QBUWPKIASA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000276686394 213045776 /nfs/dbraw/zinc/04/57/76/213045776.db2.gz UFBMTKVIIXVCSU-YSHGAJCASA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)CSCCC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000152661354 283333508 /nfs/dbraw/zinc/33/35/08/283333508.db2.gz QKNIOVWUXMWZRR-MRXNPFEDSA-N 2 1 316.555 2.790 20 0 DFADMP CC[C@@H](COC)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166630 199126330 /nfs/dbraw/zinc/12/63/30/199126330.db2.gz XCVPNHCBSZQBKS-VJANTYMQSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1CCC[C@@](C[NH2+]C2CCN(CC(F)F)CC2)([NH+](C)C)C1 ZINC000131254809 398850238 /nfs/dbraw/zinc/85/02/38/398850238.db2.gz CTGUCFLHAUSVQT-WMLDXEAASA-N 2 1 317.468 2.816 20 0 DFADMP CCCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)s1 ZINC000598669726 398850888 /nfs/dbraw/zinc/85/08/88/398850888.db2.gz DITILHXVQKGYFX-INIZCTEOSA-N 2 1 321.534 2.912 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076519388 398859682 /nfs/dbraw/zinc/85/96/82/398859682.db2.gz XZJBMVXSYDLJKT-LJQANCHMSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076519388 398859683 /nfs/dbraw/zinc/85/96/83/398859683.db2.gz XZJBMVXSYDLJKT-LJQANCHMSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076519388 398859684 /nfs/dbraw/zinc/85/96/84/398859684.db2.gz XZJBMVXSYDLJKT-LJQANCHMSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@](C)(O)c2ccc(F)cc2F)CC1 ZINC000180458606 199161389 /nfs/dbraw/zinc/16/13/89/199161389.db2.gz JXNJIVPJOCXRPP-KRWDZBQOSA-N 2 1 312.404 2.635 20 0 DFADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000153153296 283354946 /nfs/dbraw/zinc/35/49/46/283354946.db2.gz VJSCLHDXSCPPJC-RYRKJORJSA-N 2 1 302.462 2.980 20 0 DFADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000594917025 398870436 /nfs/dbraw/zinc/87/04/36/398870436.db2.gz FXVOWDWNZDFFLR-FHLIZLRMSA-N 2 1 318.461 2.814 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000594941771 398877500 /nfs/dbraw/zinc/87/75/00/398877500.db2.gz UQRIEILHUQOBDJ-CYGHRXIMSA-N 2 1 318.461 2.684 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000594938440 398877066 /nfs/dbraw/zinc/87/70/66/398877066.db2.gz WDMFDGKIKWASSB-RKTXRCNFSA-N 2 1 308.466 2.571 20 0 DFADMP Cc1cc(C)cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000180953965 199233059 /nfs/dbraw/zinc/23/30/59/199233059.db2.gz DROIMVPHYFGCRG-UHFFFAOYSA-N 2 1 303.494 2.761 20 0 DFADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)o1 ZINC000180995867 199238748 /nfs/dbraw/zinc/23/87/48/199238748.db2.gz ILYMPQCIGPYESL-KRWDZBQOSA-N 2 1 314.429 2.698 20 0 DFADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)o1 ZINC000180995867 199238750 /nfs/dbraw/zinc/23/87/50/199238750.db2.gz ILYMPQCIGPYESL-KRWDZBQOSA-N 2 1 314.429 2.698 20 0 DFADMP CCc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000173946093 283390836 /nfs/dbraw/zinc/39/08/36/283390836.db2.gz JRSJOCVHEXNTDH-UHFFFAOYSA-N 2 1 323.506 2.782 20 0 DFADMP COC(=O)c1cccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000173950800 283391520 /nfs/dbraw/zinc/39/15/20/283391520.db2.gz BZWDCEYDHOKOFC-QGZVFWFLSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1cccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000173950800 283391521 /nfs/dbraw/zinc/39/15/21/283391521.db2.gz BZWDCEYDHOKOFC-QGZVFWFLSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1cccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000173950800 283391523 /nfs/dbraw/zinc/39/15/23/283391523.db2.gz BZWDCEYDHOKOFC-QGZVFWFLSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1cccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000173950800 283391526 /nfs/dbraw/zinc/39/15/26/283391526.db2.gz BZWDCEYDHOKOFC-QGZVFWFLSA-N 2 1 304.434 2.779 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316825 398897926 /nfs/dbraw/zinc/89/79/26/398897926.db2.gz OVVKCYIRZWCXJK-HNNXBMFYSA-N 2 1 318.465 2.523 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598986207 398903693 /nfs/dbraw/zinc/90/36/93/398903693.db2.gz HVDRQTRTIKDMHS-UHFFFAOYSA-N 2 1 321.446 2.769 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2)C(C)C)CC1 ZINC000187066471 200055703 /nfs/dbraw/zinc/05/57/03/200055703.db2.gz YEHIHTJRYMKHAV-LJQANCHMSA-N 2 1 304.478 2.954 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC000599039904 398911466 /nfs/dbraw/zinc/91/14/66/398911466.db2.gz BGMBYGXLOIJACK-OFLPRAFFSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC000599039904 398911471 /nfs/dbraw/zinc/91/14/71/398911471.db2.gz BGMBYGXLOIJACK-OFLPRAFFSA-N 2 1 310.482 2.818 20 0 DFADMP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000187679511 200144443 /nfs/dbraw/zinc/14/44/43/200144443.db2.gz AJYUYTBWVPILOA-ROUUACIJSA-N 2 1 320.452 2.582 20 0 DFADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000237527341 202272180 /nfs/dbraw/zinc/27/21/80/202272180.db2.gz JUYXJSQSQLPRNF-XJKSGUPXSA-N 2 1 319.474 2.662 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000237527341 202272182 /nfs/dbraw/zinc/27/21/82/202272182.db2.gz JUYXJSQSQLPRNF-XJKSGUPXSA-N 2 1 319.474 2.662 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@H]1C ZINC000599071636 398917220 /nfs/dbraw/zinc/91/72/20/398917220.db2.gz RQJDPVFZPKGJFM-WCXIOVBPSA-N 2 1 310.482 2.676 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000237674272 202325029 /nfs/dbraw/zinc/32/50/29/202325029.db2.gz VHSHEMPFMLPUSM-CQSZACIVSA-N 2 1 321.431 2.867 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189077717 200344946 /nfs/dbraw/zinc/34/49/46/200344946.db2.gz QJRWJJXKZLTOME-RTBURBONSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(Cc2ccccc2)c1 ZINC000471784046 299304244 /nfs/dbraw/zinc/30/42/44/299304244.db2.gz ZODGVDDTHMBZGS-HNNXBMFYSA-N 2 1 309.417 2.558 20 0 DFADMP CCc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000189180843 200360250 /nfs/dbraw/zinc/36/02/50/200360250.db2.gz NQJZAIYSJRTFER-INIZCTEOSA-N 2 1 304.478 2.774 20 0 DFADMP C[NH+](C)C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353031 296013239 /nfs/dbraw/zinc/01/32/39/296013239.db2.gz HUFLRYCNFIYIJO-REPLKXPHSA-N 2 1 313.489 2.866 20 0 DFADMP CN(C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353031 296013240 /nfs/dbraw/zinc/01/32/40/296013240.db2.gz HUFLRYCNFIYIJO-REPLKXPHSA-N 2 1 313.489 2.866 20 0 DFADMP CN(C)C1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353031 296013241 /nfs/dbraw/zinc/01/32/41/296013241.db2.gz HUFLRYCNFIYIJO-REPLKXPHSA-N 2 1 313.489 2.866 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCOC1 ZINC000471872720 299311925 /nfs/dbraw/zinc/31/19/25/299311925.db2.gz RALMXKHWTURQFE-QYZOEREBSA-N 2 1 302.462 2.695 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc(OC)c1OC ZINC000271895566 209305804 /nfs/dbraw/zinc/30/58/04/209305804.db2.gz UCFPBQGRVYCEJO-CYBMUJFWSA-N 2 1 320.433 2.625 20 0 DFADMP COc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc(OC)c1OC ZINC000271896397 209305354 /nfs/dbraw/zinc/30/53/54/209305354.db2.gz UCFPBQGRVYCEJO-ZDUSSCGKSA-N 2 1 320.433 2.625 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCC3CCOCC3)C2)[nH+]1 ZINC000292652165 223185741 /nfs/dbraw/zinc/18/57/41/223185741.db2.gz PDGXSRVDPLMTFR-QGZVFWFLSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC3CCOCC3)C2)[nH+]1 ZINC000292652165 223185743 /nfs/dbraw/zinc/18/57/43/223185743.db2.gz PDGXSRVDPLMTFR-QGZVFWFLSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(N2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000472847880 299327180 /nfs/dbraw/zinc/32/71/80/299327180.db2.gz HDBNOLMNOCUEDR-SFHVURJKSA-N 2 1 301.478 2.991 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000271868940 209282246 /nfs/dbraw/zinc/28/22/46/209282246.db2.gz GCPHJZRSEFJTLF-GOSISDBHSA-N 2 1 320.452 2.991 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271868056 209281772 /nfs/dbraw/zinc/28/17/72/209281772.db2.gz LVYNIURATXVZSA-SFHVURJKSA-N 2 1 306.425 2.625 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](CC)CCC[NH+](C)C)c1C ZINC000600166998 398982783 /nfs/dbraw/zinc/98/27/83/398982783.db2.gz MPEJVTVWFJGTNE-UHFFFAOYSA-N 2 1 309.454 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](CC)CCC[NH+](C)C)c1C ZINC000600166998 398982786 /nfs/dbraw/zinc/98/27/86/398982786.db2.gz MPEJVTVWFJGTNE-UHFFFAOYSA-N 2 1 309.454 2.582 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(Br)c2)CC1 ZINC000271859083 209273827 /nfs/dbraw/zinc/27/38/27/209273827.db2.gz VQKDKUGDZNOMBP-UHFFFAOYSA-N 2 1 301.253 2.862 20 0 DFADMP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000292903093 223300172 /nfs/dbraw/zinc/30/01/72/223300172.db2.gz DXUAGRHVTKBFNE-QFBILLFUSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271848698 209264299 /nfs/dbraw/zinc/26/42/99/209264299.db2.gz IIFSNBJEMWHHGV-ZDUSSCGKSA-N 2 1 321.852 2.909 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474934294 299339889 /nfs/dbraw/zinc/33/98/89/299339889.db2.gz YUGBJNJTPTUSMS-NWJSVONSSA-N 2 1 314.882 2.550 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474934294 299339892 /nfs/dbraw/zinc/33/98/92/299339892.db2.gz YUGBJNJTPTUSMS-NWJSVONSSA-N 2 1 314.882 2.550 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3COC(C)(C)C3)c2)CCO1 ZINC000417872000 296059670 /nfs/dbraw/zinc/05/96/70/296059670.db2.gz KJEXDRUSZIVCEP-CRAIPNDOSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3COC(C)(C)C3)c2)CCO1 ZINC000417872000 296059671 /nfs/dbraw/zinc/05/96/71/296059671.db2.gz KJEXDRUSZIVCEP-CRAIPNDOSA-N 2 1 318.461 2.564 20 0 DFADMP CC(C[NH+]1CCCOC(C)(C)C1)C[N@H+]1CCCOC(C)(C)C1 ZINC000605575692 399034282 /nfs/dbraw/zinc/03/42/82/399034282.db2.gz PFGVPWGAJWWSGN-UHFFFAOYSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091333539 193041561 /nfs/dbraw/zinc/04/15/61/193041561.db2.gz VZAOZYOSWOBTEA-KBRIMQKVSA-N 2 1 308.853 2.724 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091333539 193041563 /nfs/dbraw/zinc/04/15/63/193041563.db2.gz VZAOZYOSWOBTEA-KBRIMQKVSA-N 2 1 308.853 2.724 20 0 DFADMP C[NH+](C)C1(CNCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000418114330 296079233 /nfs/dbraw/zinc/07/92/33/296079233.db2.gz LGDNCVGEKXVFHH-UHFFFAOYSA-N 2 1 303.494 2.828 20 0 DFADMP CN(C)C1(C[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC1 ZINC000418114330 296079235 /nfs/dbraw/zinc/07/92/35/296079235.db2.gz LGDNCVGEKXVFHH-UHFFFAOYSA-N 2 1 303.494 2.828 20 0 DFADMP CN(C)C1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000418114330 296079236 /nfs/dbraw/zinc/07/92/36/296079236.db2.gz LGDNCVGEKXVFHH-UHFFFAOYSA-N 2 1 303.494 2.828 20 0 DFADMP CN(Cc1ncc(C[NH+](C)C)s1)C(C)(C)C[NH+]1CCCC1 ZINC000418126553 296079900 /nfs/dbraw/zinc/07/99/00/296079900.db2.gz LTRCRUJMACXOGU-UHFFFAOYSA-N 2 1 310.511 2.511 20 0 DFADMP Cc1nccnc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000621725685 399049561 /nfs/dbraw/zinc/04/95/61/399049561.db2.gz XXTXFQIMDMUXKY-UHFFFAOYSA-N 2 1 311.433 2.697 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@H]12 ZINC000595729367 399058664 /nfs/dbraw/zinc/05/86/64/399058664.db2.gz DWEOUFNZCJOPOC-KZNAEPCWSA-N 2 1 322.493 2.916 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)[C@@H](C)C1 ZINC000621768374 399073125 /nfs/dbraw/zinc/07/31/25/399073125.db2.gz OBHKAPYVHCIIDN-KKUMJFAQSA-N 2 1 304.425 2.758 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cncc(Cl)c2)C1 ZINC000621776827 399075118 /nfs/dbraw/zinc/07/51/18/399075118.db2.gz XJJDUJKXRJQQDJ-OAGGEKHMSA-N 2 1 309.841 2.596 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000058061105 399075746 /nfs/dbraw/zinc/07/57/46/399075746.db2.gz YKNVRDHOQCNQQC-INIZCTEOSA-N 2 1 306.450 2.914 20 0 DFADMP [NH3+][C@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780945 399076173 /nfs/dbraw/zinc/07/61/73/399076173.db2.gz XNYHHATWOYSJJK-UZLBHIALSA-N 2 1 323.440 2.982 20 0 DFADMP [NH3+][C@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780945 399076181 /nfs/dbraw/zinc/07/61/81/399076181.db2.gz XNYHHATWOYSJJK-UZLBHIALSA-N 2 1 323.440 2.982 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOCC3CCC3)CC2)C[C@H](C)O1 ZINC000419192534 296127493 /nfs/dbraw/zinc/12/74/93/296127493.db2.gz PBXBZGARHZNTFG-CALCHBBNSA-N 2 1 324.509 2.624 20 0 DFADMP CC[C@H](C[N@@H+](C)[C@H]1CCC[NH+](C[C@@H](CC)OC)CC1)OC ZINC000419247564 296129815 /nfs/dbraw/zinc/12/98/15/296129815.db2.gz XFZGZFCMKDCAEY-GVDBMIGSSA-N 2 1 300.487 2.623 20 0 DFADMP CC[C@H](C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](CC)OC)CC1)OC ZINC000419247564 296129816 /nfs/dbraw/zinc/12/98/16/296129816.db2.gz XFZGZFCMKDCAEY-GVDBMIGSSA-N 2 1 300.487 2.623 20 0 DFADMP CC[C@H](C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](CC)OC)CC1)OC ZINC000419247564 296129818 /nfs/dbraw/zinc/12/98/18/296129818.db2.gz XFZGZFCMKDCAEY-GVDBMIGSSA-N 2 1 300.487 2.623 20 0 DFADMP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000419315830 296134397 /nfs/dbraw/zinc/13/43/97/296134397.db2.gz WPGZBHSDXIRIDN-OALUTQOASA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000419315830 296134398 /nfs/dbraw/zinc/13/43/98/296134398.db2.gz WPGZBHSDXIRIDN-OALUTQOASA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000419315830 296134399 /nfs/dbraw/zinc/13/43/99/296134399.db2.gz WPGZBHSDXIRIDN-OALUTQOASA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000419315830 296134400 /nfs/dbraw/zinc/13/44/00/296134400.db2.gz WPGZBHSDXIRIDN-OALUTQOASA-N 2 1 319.493 2.896 20 0 DFADMP COC1(C(F)(F)F)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000419327457 296134789 /nfs/dbraw/zinc/13/47/89/296134789.db2.gz MQSCQRALHUVKIP-ZDUSSCGKSA-N 2 1 308.388 2.904 20 0 DFADMP COC1(C(F)(F)F)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000419327457 296134790 /nfs/dbraw/zinc/13/47/90/296134790.db2.gz MQSCQRALHUVKIP-ZDUSSCGKSA-N 2 1 308.388 2.904 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262111958 203201944 /nfs/dbraw/zinc/20/19/44/203201944.db2.gz HCHWIHGEGBTCSE-MAUKXSAKSA-N 2 1 317.477 2.662 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(C(=O)CCCCCC[NH3+])CC1 ZINC000262264929 203244275 /nfs/dbraw/zinc/24/42/75/203244275.db2.gz VCLNOZKMIYONLS-UHFFFAOYSA-N 2 1 317.477 2.548 20 0 DFADMP CC1CC[NH+](CCCNc2cc[nH+]cc2Br)CC1 ZINC000339969841 284147012 /nfs/dbraw/zinc/14/70/12/284147012.db2.gz UVHSVLZEMNNLGG-UHFFFAOYSA-N 2 1 312.255 2.800 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1)C(C)C ZINC000262594593 203343801 /nfs/dbraw/zinc/34/38/01/203343801.db2.gz TYPHKKONFRUKRY-MRXNPFEDSA-N 2 1 317.477 2.646 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262684309 203379934 /nfs/dbraw/zinc/37/99/34/203379934.db2.gz ZXEHVJCNFPECNR-JKSUJKDBSA-N 2 1 317.477 2.533 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000262711653 203389196 /nfs/dbraw/zinc/38/91/96/203389196.db2.gz QTKHLNOFWPTIIS-SFHVURJKSA-N 2 1 305.466 2.661 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597302 193273259 /nfs/dbraw/zinc/27/32/59/193273259.db2.gz KXVHPMIPMTZVFH-INIZCTEOSA-N 2 1 310.445 2.994 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597302 193273261 /nfs/dbraw/zinc/27/32/61/193273261.db2.gz KXVHPMIPMTZVFH-INIZCTEOSA-N 2 1 310.445 2.994 20 0 DFADMP COCCOc1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597968 193273457 /nfs/dbraw/zinc/27/34/57/193273457.db2.gz PAUOBRBSDCXQSO-KRWDZBQOSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000093597968 193273458 /nfs/dbraw/zinc/27/34/58/193273458.db2.gz PAUOBRBSDCXQSO-KRWDZBQOSA-N 2 1 318.461 2.630 20 0 DFADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)CC(C)(C)C[NH3+] ZINC000093874365 193322345 /nfs/dbraw/zinc/32/23/45/193322345.db2.gz MLLOGHLIPFENEX-UHFFFAOYSA-N 2 1 312.841 2.918 20 0 DFADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340401479 284180844 /nfs/dbraw/zinc/18/08/44/284180844.db2.gz RAMAZGGGXZQRCM-HZPDHXFCSA-N 2 1 316.474 2.814 20 0 DFADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340401479 284180851 /nfs/dbraw/zinc/18/08/51/284180851.db2.gz RAMAZGGGXZQRCM-HZPDHXFCSA-N 2 1 316.474 2.814 20 0 DFADMP [NH3+][C@@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000420130638 296159346 /nfs/dbraw/zinc/15/93/46/296159346.db2.gz XWTLRAZMRCEZSY-LLVKDONJSA-N 2 1 306.207 2.925 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274913330 212028181 /nfs/dbraw/zinc/02/81/81/212028181.db2.gz NPRIQUZRTWLXAQ-LMMKCTJWSA-N 2 1 312.461 2.772 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274913334 212027705 /nfs/dbraw/zinc/02/77/05/212027705.db2.gz NPRIQUZRTWLXAQ-ZHALLVOQSA-N 2 1 312.461 2.772 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282445857 217002005 /nfs/dbraw/zinc/00/20/05/217002005.db2.gz UUJCTRCOVNDPHP-CYBMUJFWSA-N 2 1 311.420 2.641 20 0 DFADMP C[C@@H]1C[NH2+]CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000420178375 296160640 /nfs/dbraw/zinc/16/06/40/296160640.db2.gz UEFYONMWZJYWCN-SNVBAGLBSA-N 2 1 306.207 2.795 20 0 DFADMP [NH3+]C[C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000420165390 296160121 /nfs/dbraw/zinc/16/01/21/296160121.db2.gz GYKSZUOLORXGDH-SNVBAGLBSA-N 2 1 306.207 2.782 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3ccc(C)cc3)C2)CC1 ZINC000600117271 399141501 /nfs/dbraw/zinc/14/15/01/399141501.db2.gz KGPHQSHKXSKASE-QUCCMNQESA-N 2 1 315.505 2.810 20 0 DFADMP CC(C)c1cc(N2CCC([NH2+]CC3CC3)CC2)nc(N(C)C)[nH+]1 ZINC000420199276 296161914 /nfs/dbraw/zinc/16/19/14/296161914.db2.gz LWTJCLDOIOEVKB-UHFFFAOYSA-N 2 1 317.481 2.634 20 0 DFADMP CC(C)c1cc(N2CCC([C@H]3CCC[NH2+]3)CC2)nc(N(C)C)[nH+]1 ZINC000420223243 296163478 /nfs/dbraw/zinc/16/34/78/296163478.db2.gz ZVHPPNKEKQNICC-OAHLLOKOSA-N 2 1 317.481 2.634 20 0 DFADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N(C)CC[NH2+]C ZINC000420225147 296163573 /nfs/dbraw/zinc/16/35/73/296163573.db2.gz IBWQAPRXPPPOLG-UHFFFAOYSA-N 2 1 315.417 2.684 20 0 DFADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1(C)C ZINC000484753650 299419032 /nfs/dbraw/zinc/41/90/32/299419032.db2.gz IUJSREGSWCMEAK-FLXSYLCISA-N 2 1 324.509 2.717 20 0 DFADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@H](C)C[NH3+])c2c1C ZINC000420232123 296164213 /nfs/dbraw/zinc/16/42/13/296164213.db2.gz DHWXRGNQHIUTRV-SNVBAGLBSA-N 2 1 319.478 2.663 20 0 DFADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1(C)C ZINC000484753649 299418865 /nfs/dbraw/zinc/41/88/65/299418865.db2.gz IUJSREGSWCMEAK-DFBDCSAJSA-N 2 1 324.509 2.717 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000341192973 284247025 /nfs/dbraw/zinc/24/70/25/284247025.db2.gz SGDFFEPOZRLMEF-UHFFFAOYSA-N 2 1 303.450 2.516 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000484833871 299419740 /nfs/dbraw/zinc/41/97/40/299419740.db2.gz HSRKCWBWCKVZSU-OWYHZJEWSA-N 2 1 302.462 2.927 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2ccccc2C)CC1 ZINC000264642863 204049389 /nfs/dbraw/zinc/04/93/89/204049389.db2.gz VTJZTUZHQHWEOD-GOSISDBHSA-N 2 1 320.477 2.541 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CNc1cc[nH+]cc1Br ZINC000420278775 296168652 /nfs/dbraw/zinc/16/86/52/296168652.db2.gz OJXKGVKWMLWEKR-CQSZACIVSA-N 2 1 320.234 2.940 20 0 DFADMP CCS[C@@H]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294531 296170546 /nfs/dbraw/zinc/17/05/46/296170546.db2.gz AZUAWFYBLXJIJI-MHORFTMASA-N 2 1 322.518 2.523 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1 ZINC000264930854 204278654 /nfs/dbraw/zinc/27/86/54/204278654.db2.gz SKNZTUCQTJHPCK-UHFFFAOYSA-N 2 1 319.493 2.990 20 0 DFADMP CC[C@H](C)[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420297089 296170782 /nfs/dbraw/zinc/17/07/82/296170782.db2.gz FJHDOEWYHSRVQM-LNMJFAINSA-N 2 1 304.478 2.816 20 0 DFADMP CC[C@H](C)[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420297089 296170783 /nfs/dbraw/zinc/17/07/83/296170783.db2.gz FJHDOEWYHSRVQM-LNMJFAINSA-N 2 1 304.478 2.816 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c1 ZINC000420296436 296170884 /nfs/dbraw/zinc/17/08/84/296170884.db2.gz BZLWCKKQZVPURA-RHSMWYFYSA-N 2 1 304.434 2.840 20 0 DFADMP COCC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420297508 296171018 /nfs/dbraw/zinc/17/10/18/296171018.db2.gz GAMVRLXODIEWSF-ZDUSSCGKSA-N 2 1 314.832 2.927 20 0 DFADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)C1(C)C ZINC000420302537 296171623 /nfs/dbraw/zinc/17/16/23/296171623.db2.gz MNCIJHQXCUNIQH-BPQIPLTHSA-N 2 1 320.477 2.873 20 0 DFADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1C ZINC000420300475 296171741 /nfs/dbraw/zinc/17/17/41/296171741.db2.gz HNUIBFFVVBEAAP-MRXNPFEDSA-N 2 1 303.450 2.645 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420302167 296171745 /nfs/dbraw/zinc/17/17/45/296171745.db2.gz BGSZKCBPFQYYNM-CVEARBPZSA-N 2 1 303.450 2.691 20 0 DFADMP c1cc2c(c([C@H]3CCC[N@@H+]3CC[C@@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000420298208 296171337 /nfs/dbraw/zinc/17/13/37/296171337.db2.gz HAWZTTPVYWVLMS-DOTOQJQBSA-N 2 1 316.445 2.984 20 0 DFADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299286 296171419 /nfs/dbraw/zinc/17/14/19/296171419.db2.gz IRJOCBSCDZRXSB-DBOLQNLKSA-N 2 1 324.468 2.795 20 0 DFADMP COC(=O)CCC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420304603 296172124 /nfs/dbraw/zinc/17/21/24/296172124.db2.gz FDFLAYBHKWDVBG-ZWKOTPCHSA-N 2 1 318.461 2.612 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420305157 296172169 /nfs/dbraw/zinc/17/21/69/296172169.db2.gz JUCJFFYVACPKHY-NWDGAFQWSA-N 2 1 318.442 2.857 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420305157 296172171 /nfs/dbraw/zinc/17/21/71/296172171.db2.gz JUCJFFYVACPKHY-NWDGAFQWSA-N 2 1 318.442 2.857 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302411 296171848 /nfs/dbraw/zinc/17/18/48/296171848.db2.gz FYVSJXFMQHIKBU-HNNXBMFYSA-N 2 1 315.461 2.652 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC[NH3+])[C@H]2CCCC[C@@H]12 ZINC000420302087 296171861 /nfs/dbraw/zinc/17/18/61/296171861.db2.gz LZPAKPHMULSZLA-VIQHNZTISA-N 2 1 309.498 2.519 20 0 DFADMP Cc1nonc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000265091824 204390731 /nfs/dbraw/zinc/39/07/31/204390731.db2.gz APOPGPCMWXKEHD-UHFFFAOYSA-N 2 1 314.433 2.722 20 0 DFADMP Cc1nonc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000265091824 204390734 /nfs/dbraw/zinc/39/07/34/204390734.db2.gz APOPGPCMWXKEHD-UHFFFAOYSA-N 2 1 314.433 2.722 20 0 DFADMP CC(C)COCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420302811 296171932 /nfs/dbraw/zinc/17/19/32/296171932.db2.gz CBKNEGPIUZINQZ-SFHVURJKSA-N 2 1 305.466 2.698 20 0 DFADMP CC(C)COCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000420302811 296171934 /nfs/dbraw/zinc/17/19/34/296171934.db2.gz CBKNEGPIUZINQZ-SFHVURJKSA-N 2 1 305.466 2.698 20 0 DFADMP OCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420306584 296172439 /nfs/dbraw/zinc/17/24/39/296172439.db2.gz QLIBSLBCGLXTLK-LPHOPBHVSA-N 2 1 302.462 2.748 20 0 DFADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420306592 296172690 /nfs/dbraw/zinc/17/26/90/296172690.db2.gz QLZJTZWHRNCJFZ-INIZCTEOSA-N 2 1 303.450 2.563 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)C[C@H]21 ZINC000420310762 296173344 /nfs/dbraw/zinc/17/33/44/296173344.db2.gz QBTROGJMJIEBSS-NJZAAPMLSA-N 2 1 312.816 2.917 20 0 DFADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420315287 296173915 /nfs/dbraw/zinc/17/39/15/296173915.db2.gz LNLPYQLZWAKVKS-CVEARBPZSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000420307615 296173032 /nfs/dbraw/zinc/17/30/32/296173032.db2.gz BVVYNXCESDMPCH-QAPCUYQASA-N 2 1 314.433 2.688 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420321551 296174725 /nfs/dbraw/zinc/17/47/25/296174725.db2.gz CTKCKCWRINFASE-HZSPNIEDSA-N 2 1 309.479 2.672 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000420317855 296174235 /nfs/dbraw/zinc/17/42/35/296174235.db2.gz NHCJCKZSALFSIZ-GJZGRUSLSA-N 2 1 321.431 2.582 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)ccc2o1 ZINC000420321140 296174986 /nfs/dbraw/zinc/17/49/86/296174986.db2.gz ZPOITBBSUABQAC-ZDUSSCGKSA-N 2 1 316.401 2.780 20 0 DFADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323119 296175258 /nfs/dbraw/zinc/17/52/58/296175258.db2.gz FTAMCOZIAGESHC-OCCSQVGLSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323119 296175259 /nfs/dbraw/zinc/17/52/59/296175259.db2.gz FTAMCOZIAGESHC-OCCSQVGLSA-N 2 1 310.388 2.713 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCC1 ZINC000420322918 296175434 /nfs/dbraw/zinc/17/54/34/296175434.db2.gz STERKHQNBJHFRT-FHWLQOOXSA-N 2 1 302.462 2.572 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328161 296176212 /nfs/dbraw/zinc/17/62/12/296176212.db2.gz DWPFVIDOPQRVIM-MCIONIFRSA-N 2 1 321.852 2.598 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331192 296176555 /nfs/dbraw/zinc/17/65/55/296176555.db2.gz BSXLTWQZAAZNQR-YESZJQIVSA-N 2 1 315.461 2.644 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420326872 296175737 /nfs/dbraw/zinc/17/57/37/296175737.db2.gz XTXRMEGGNDCODN-RDJZCZTQSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420326872 296175739 /nfs/dbraw/zinc/17/57/39/296175739.db2.gz XTXRMEGGNDCODN-RDJZCZTQSA-N 2 1 311.429 2.830 20 0 DFADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420329230 296176092 /nfs/dbraw/zinc/17/60/92/296176092.db2.gz OCMUHETTZOHBOP-WDEREUQCSA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420329230 296176093 /nfs/dbraw/zinc/17/60/93/296176093.db2.gz OCMUHETTZOHBOP-WDEREUQCSA-N 2 1 319.396 2.983 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH+](C)C)cc1)C(C)C ZINC000265353851 204552679 /nfs/dbraw/zinc/55/26/79/204552679.db2.gz WTBIMZDHNURBRB-UHFFFAOYSA-N 2 1 305.466 2.598 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345392 296178026 /nfs/dbraw/zinc/17/80/26/296178026.db2.gz WCFIHRKKEYPJPS-SJORKVTESA-N 2 1 315.461 2.563 20 0 DFADMP FC(F)(F)c1csc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420345024 296178113 /nfs/dbraw/zinc/17/81/13/296178113.db2.gz UVFZCVOLFMVZRU-AOOOYVTPSA-N 2 1 305.369 2.593 20 0 DFADMP FC(F)(F)c1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000420345024 296178115 /nfs/dbraw/zinc/17/81/15/296178115.db2.gz UVFZCVOLFMVZRU-AOOOYVTPSA-N 2 1 305.369 2.593 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420344035 296178201 /nfs/dbraw/zinc/17/82/01/296178201.db2.gz RUDQQQXHKILSPR-ZIAGYGMSSA-N 2 1 321.852 2.600 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1C ZINC000420347148 296178542 /nfs/dbraw/zinc/17/85/42/296178542.db2.gz XRIYZECWOTTZDF-YESZJQIVSA-N 2 1 315.461 2.562 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000282506279 217047874 /nfs/dbraw/zinc/04/78/74/217047874.db2.gz YNYIXVUCDRHZEI-IBGZPJMESA-N 2 1 315.505 2.988 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccccc1Br ZINC000420360696 296179867 /nfs/dbraw/zinc/17/98/67/296179867.db2.gz LJDRTFHPONTQGK-CYBMUJFWSA-N 2 1 315.255 2.791 20 0 DFADMP CCC[C@H](NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420365951 296180633 /nfs/dbraw/zinc/18/06/33/296180633.db2.gz QPCQGXBULZSHJQ-DLBZAZTESA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000420364097 296180398 /nfs/dbraw/zinc/18/03/98/296180398.db2.gz OSSHOXCEWLUPHO-ZDUSSCGKSA-N 2 1 315.820 2.771 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@H]2C)o1 ZINC000607516256 399173175 /nfs/dbraw/zinc/17/31/75/399173175.db2.gz FXOURLIUTUXNRL-ZBFHGGJFSA-N 2 1 321.465 2.534 20 0 DFADMP CCOC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282587536 217109083 /nfs/dbraw/zinc/10/90/83/217109083.db2.gz WOXJCUVDJMTIOG-QGZVFWFLSA-N 2 1 318.461 2.830 20 0 DFADMP CCOC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282587536 217109084 /nfs/dbraw/zinc/10/90/84/217109084.db2.gz WOXJCUVDJMTIOG-QGZVFWFLSA-N 2 1 318.461 2.830 20 0 DFADMP [NH3+]C[C@H]([NH2+]CCOCCOc1ccccc1)C1CCCCC1 ZINC000420373438 296182492 /nfs/dbraw/zinc/18/24/92/296182492.db2.gz RAUAQIZSQBQXTQ-SFHVURJKSA-N 2 1 306.450 2.579 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420376146 296182900 /nfs/dbraw/zinc/18/29/00/296182900.db2.gz UTQCZRGWGLLXIO-IIYDPXPESA-N 2 1 321.490 2.713 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378070 296183018 /nfs/dbraw/zinc/18/30/18/296183018.db2.gz BBWLAKZYJNYAMB-WBVHZDCISA-N 2 1 312.461 2.580 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420379893 296183534 /nfs/dbraw/zinc/18/35/34/296183534.db2.gz BMJKHKQBGBJKDG-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000420379893 296183537 /nfs/dbraw/zinc/18/35/37/296183537.db2.gz BMJKHKQBGBJKDG-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)c1 ZINC000342084524 284322067 /nfs/dbraw/zinc/32/20/67/284322067.db2.gz LRAWSAAGPLAVHA-HRCADAONSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1cccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)c1 ZINC000342084524 284322070 /nfs/dbraw/zinc/32/20/70/284322070.db2.gz LRAWSAAGPLAVHA-HRCADAONSA-N 2 1 312.417 2.604 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1SC ZINC000342107203 284325489 /nfs/dbraw/zinc/32/54/89/284325489.db2.gz PGZWAKGSZREJDK-ZNMIVQPWSA-N 2 1 306.475 2.976 20 0 DFADMP C[C@H]1C[C@H](CC[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@@H](C)C1 ZINC000420389770 296184728 /nfs/dbraw/zinc/18/47/28/296184728.db2.gz YSXZDCUOAZCTGM-MUQADHOPSA-N 2 1 319.497 2.836 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCCC3CCCCC3)C[C@H]21 ZINC000342088558 284323662 /nfs/dbraw/zinc/32/36/62/284323662.db2.gz RFISHTQDZNOXTJ-KZNAEPCWSA-N 2 1 321.509 2.522 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387759 296184377 /nfs/dbraw/zinc/18/43/77/296184377.db2.gz GNMYUXHSWXWYEV-RHSMWYFYSA-N 2 1 319.424 2.618 20 0 DFADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385697 296184384 /nfs/dbraw/zinc/18/43/84/296184384.db2.gz UEKKACCJSIYDRJ-MLGOLLRUSA-N 2 1 319.840 2.788 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342091299 284324844 /nfs/dbraw/zinc/32/48/44/284324844.db2.gz UHSXKNJZHDZXIC-IACUBPJLSA-N 2 1 318.852 2.786 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342091299 284324848 /nfs/dbraw/zinc/32/48/48/284324848.db2.gz UHSXKNJZHDZXIC-IACUBPJLSA-N 2 1 318.852 2.786 20 0 DFADMP CC(C)(C)c1cccc(OCCC[N@H+]2CCCO[C@@H](C[NH3+])C2)c1 ZINC000420388942 296184947 /nfs/dbraw/zinc/18/49/47/296184947.db2.gz LTFBMJQFVHLNJN-SFHVURJKSA-N 2 1 320.477 2.803 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395051 296185764 /nfs/dbraw/zinc/18/57/64/296185764.db2.gz KQGOFKQUOAHLOW-MSOLQXFVSA-N 2 1 321.509 2.537 20 0 DFADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCCC1CCCCC1 ZINC000420403808 296186954 /nfs/dbraw/zinc/18/69/54/296186954.db2.gz RSVIHZWWIWQAEO-QZTJIDSGSA-N 2 1 321.509 2.537 20 0 DFADMP O=C(C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCCC1CCCCC1 ZINC000420403808 296186956 /nfs/dbraw/zinc/18/69/56/296186956.db2.gz RSVIHZWWIWQAEO-QZTJIDSGSA-N 2 1 321.509 2.537 20 0 DFADMP c1ccc(OCCOCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420401706 296186571 /nfs/dbraw/zinc/18/65/71/296186571.db2.gz PRNVKJINXSQVRW-PKOBYXMFSA-N 2 1 318.461 2.546 20 0 DFADMP OCc1ccc(C[N@@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000282762747 217233270 /nfs/dbraw/zinc/23/32/70/217233270.db2.gz OZDSIWSIIMODHF-AWEZNQCLSA-N 2 1 315.417 2.684 20 0 DFADMP OCc1ccc(C[N@H+]2CCC[C@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000282762747 217233273 /nfs/dbraw/zinc/23/32/73/217233273.db2.gz OZDSIWSIIMODHF-AWEZNQCLSA-N 2 1 315.417 2.684 20 0 DFADMP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](CC)CC ZINC000618661078 399200159 /nfs/dbraw/zinc/20/01/59/399200159.db2.gz NQHDJLGIFSBUKK-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCn1cccn1 ZINC000081013317 399202895 /nfs/dbraw/zinc/20/28/95/399202895.db2.gz YOIQEIBEUQBFBW-MJGOQNOKSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCn1cccn1 ZINC000081013317 399202900 /nfs/dbraw/zinc/20/29/00/399202900.db2.gz YOIQEIBEUQBFBW-MJGOQNOKSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCn1cccn1 ZINC000081013317 399202904 /nfs/dbraw/zinc/20/29/04/399202904.db2.gz YOIQEIBEUQBFBW-MJGOQNOKSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCn1cccn1 ZINC000081013317 399202907 /nfs/dbraw/zinc/20/29/07/399202907.db2.gz YOIQEIBEUQBFBW-MJGOQNOKSA-N 2 1 312.461 2.726 20 0 DFADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000614331282 399209841 /nfs/dbraw/zinc/20/98/41/399209841.db2.gz PJXYWLCHEVHXIG-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]1C[NH+](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614331282 399209845 /nfs/dbraw/zinc/20/98/45/399209845.db2.gz PJXYWLCHEVHXIG-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]1C[NH+](C)CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614331282 399209848 /nfs/dbraw/zinc/20/98/48/399209848.db2.gz PJXYWLCHEVHXIG-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP O[C@H]1C[C@@H](C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000420915785 296211634 /nfs/dbraw/zinc/21/16/34/296211634.db2.gz MWADZHHAMQOWSA-HSALFYBXSA-N 2 1 314.473 2.745 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000420915785 296211635 /nfs/dbraw/zinc/21/16/35/296211635.db2.gz MWADZHHAMQOWSA-HSALFYBXSA-N 2 1 314.473 2.745 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000420915785 296211636 /nfs/dbraw/zinc/21/16/36/296211636.db2.gz MWADZHHAMQOWSA-HSALFYBXSA-N 2 1 314.473 2.745 20 0 DFADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000420922369 296212493 /nfs/dbraw/zinc/21/24/93/296212493.db2.gz FOWUQVUTJHSBRN-BZUAXINKSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000420922369 296212494 /nfs/dbraw/zinc/21/24/94/296212494.db2.gz FOWUQVUTJHSBRN-BZUAXINKSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000420922369 296212495 /nfs/dbraw/zinc/21/24/95/296212495.db2.gz FOWUQVUTJHSBRN-BZUAXINKSA-N 2 1 310.482 2.913 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cn[nH]c1 ZINC000608058633 399229770 /nfs/dbraw/zinc/22/97/70/399229770.db2.gz REKOOPZTFLTOJS-UHFFFAOYSA-N 2 1 310.401 2.925 20 0 DFADMP CO[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922147 296212821 /nfs/dbraw/zinc/21/28/21/296212821.db2.gz NGYRKUSUTGXCTA-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP Cn1cc(Cl)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000420933990 296214456 /nfs/dbraw/zinc/21/44/56/296214456.db2.gz JHNYCFLDLWLUPF-MLGOLLRUSA-N 2 1 308.857 2.522 20 0 DFADMP CSC[C@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937558 296215008 /nfs/dbraw/zinc/21/50/08/296215008.db2.gz OFWVHVZZPUSGGE-GOSISDBHSA-N 2 1 320.502 2.846 20 0 DFADMP CSC[C@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937558 296215009 /nfs/dbraw/zinc/21/50/09/296215009.db2.gz OFWVHVZZPUSGGE-GOSISDBHSA-N 2 1 320.502 2.846 20 0 DFADMP COC[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961217 296218242 /nfs/dbraw/zinc/21/82/42/296218242.db2.gz HYJINRFKFFBXMX-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP COC[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961217 296218243 /nfs/dbraw/zinc/21/82/43/296218243.db2.gz HYJINRFKFFBXMX-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420964074 296218592 /nfs/dbraw/zinc/21/85/92/296218592.db2.gz NEQZOMFVZLGYEK-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@@]1(C)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420964074 296218593 /nfs/dbraw/zinc/21/85/93/296218593.db2.gz NEQZOMFVZLGYEK-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420964074 296218594 /nfs/dbraw/zinc/21/85/94/296218594.db2.gz NEQZOMFVZLGYEK-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000420970456 296219219 /nfs/dbraw/zinc/21/92/19/296219219.db2.gz IRKDOXBRFSQDIS-QYZOEREBSA-N 2 1 300.446 2.797 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000618903272 399255635 /nfs/dbraw/zinc/25/56/35/399255635.db2.gz PBOQLEIVXITJHG-CHWSQXEVSA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000618903272 399255641 /nfs/dbraw/zinc/25/56/41/399255641.db2.gz PBOQLEIVXITJHG-CHWSQXEVSA-N 2 1 317.389 2.518 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[N@H+]1C ZINC000608385126 399258483 /nfs/dbraw/zinc/25/84/83/399258483.db2.gz IANAZUDJINLFFI-ZBFHGGJFSA-N 2 1 312.417 2.841 20 0 DFADMP c1ccc2c(c1)OC[C@@H](C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)O2 ZINC000608500323 399272384 /nfs/dbraw/zinc/27/23/84/399272384.db2.gz FUNNZOZJNXKEEB-DLBZAZTESA-N 2 1 316.445 2.634 20 0 DFADMP c1ccc2c(c1)OC[C@@H](C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)O2 ZINC000608500323 399272386 /nfs/dbraw/zinc/27/23/86/399272386.db2.gz FUNNZOZJNXKEEB-DLBZAZTESA-N 2 1 316.445 2.634 20 0 DFADMP COC(=O)c1occc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609133605 399304811 /nfs/dbraw/zinc/30/48/11/399304811.db2.gz ZWBLGDSLFLWIIO-UHFFFAOYSA-N 2 1 308.422 2.618 20 0 DFADMP COC(=O)c1occc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609133605 399304812 /nfs/dbraw/zinc/30/48/12/399304812.db2.gz ZWBLGDSLFLWIIO-UHFFFAOYSA-N 2 1 308.422 2.618 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000284411290 218017123 /nfs/dbraw/zinc/01/71/23/218017123.db2.gz QHMWUZNDQHBKDK-ROUUACIJSA-N 2 1 302.462 2.922 20 0 DFADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000284685716 218132958 /nfs/dbraw/zinc/13/29/58/218132958.db2.gz HFCVBDZTBFYTSO-GDBMZVCRSA-N 2 1 324.490 2.615 20 0 DFADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000284685716 218132959 /nfs/dbraw/zinc/13/29/59/218132959.db2.gz HFCVBDZTBFYTSO-GDBMZVCRSA-N 2 1 324.490 2.615 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000610250401 399350911 /nfs/dbraw/zinc/35/09/11/399350911.db2.gz DGSOEVRDJKVMEI-AZUAARDMSA-N 2 1 315.505 2.890 20 0 DFADMP COc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1OC ZINC000105443500 194104842 /nfs/dbraw/zinc/10/48/42/194104842.db2.gz ISMUITAPGQOYHL-ZDUSSCGKSA-N 2 1 303.406 2.635 20 0 DFADMP CCOC(=O)[C@@H](CC)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610367526 399361472 /nfs/dbraw/zinc/36/14/72/399361472.db2.gz QMXAPGWNEUNGLV-QGZVFWFLSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347622 399368577 /nfs/dbraw/zinc/36/85/77/399368577.db2.gz GEAZEJPFWRCMEX-GDBMZVCRSA-N 2 1 321.534 2.957 20 0 DFADMP CCOc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000105862272 194149892 /nfs/dbraw/zinc/14/98/92/194149892.db2.gz OVSDHQPBJSQJTH-MRXNPFEDSA-N 2 1 320.477 2.610 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC1(C)C ZINC000623353452 399369620 /nfs/dbraw/zinc/36/96/20/399369620.db2.gz LWEGPUVJHVSBNT-MRXNPFEDSA-N 2 1 302.466 2.644 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC1(C)C ZINC000623353452 399369622 /nfs/dbraw/zinc/36/96/22/399369622.db2.gz LWEGPUVJHVSBNT-MRXNPFEDSA-N 2 1 302.466 2.644 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351623 399369788 /nfs/dbraw/zinc/36/97/88/399369788.db2.gz YGCSGDGJWIVXIR-GOSISDBHSA-N 3 1 312.461 2.894 20 0 DFADMP CC(C)CSCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601966117 399370815 /nfs/dbraw/zinc/37/08/15/399370815.db2.gz PUOWCNJCGGQZGP-SFHVURJKSA-N 2 1 322.518 2.602 20 0 DFADMP CC(C)CSCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601966117 399370820 /nfs/dbraw/zinc/37/08/20/399370820.db2.gz PUOWCNJCGGQZGP-SFHVURJKSA-N 2 1 322.518 2.602 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1(C)C ZINC000623356569 399371244 /nfs/dbraw/zinc/37/12/44/399371244.db2.gz XHLLEGJWNVXETO-GOSISDBHSA-N 2 1 312.461 2.894 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1(C)C ZINC000623356569 399371247 /nfs/dbraw/zinc/37/12/47/399371247.db2.gz XHLLEGJWNVXETO-GOSISDBHSA-N 2 1 312.461 2.894 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000105896375 194162430 /nfs/dbraw/zinc/16/24/30/194162430.db2.gz XBGXNBMIWXSVAL-MRXNPFEDSA-N 2 1 320.481 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000105896375 194162433 /nfs/dbraw/zinc/16/24/33/194162433.db2.gz XBGXNBMIWXSVAL-MRXNPFEDSA-N 2 1 320.481 2.728 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623379567 399376452 /nfs/dbraw/zinc/37/64/52/399376452.db2.gz YGPALQSYVQBJFK-OAHLLOKOSA-N 2 1 306.450 2.709 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc(Cl)cc2)CC1 ZINC000106126844 194188005 /nfs/dbraw/zinc/18/80/05/194188005.db2.gz WEVIMGZBGQHQDF-AWEZNQCLSA-N 2 1 310.869 2.865 20 0 DFADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)Cc1ccccc1 ZINC000623413425 399383421 /nfs/dbraw/zinc/38/34/21/399383421.db2.gz VKAGJFVRKYBMON-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000623413425 399383424 /nfs/dbraw/zinc/38/34/24/399383424.db2.gz VKAGJFVRKYBMON-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000623413425 399383427 /nfs/dbraw/zinc/38/34/27/399383427.db2.gz VKAGJFVRKYBMON-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413425 399383429 /nfs/dbraw/zinc/38/34/29/399383429.db2.gz VKAGJFVRKYBMON-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413425 399383433 /nfs/dbraw/zinc/38/34/33/399383433.db2.gz VKAGJFVRKYBMON-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP COc1cccc2c1OCC[C@H]2N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623418504 399385281 /nfs/dbraw/zinc/38/52/81/399385281.db2.gz SOJFYDMTJDFQHW-UKRRQHHQSA-N 2 1 304.434 2.981 20 0 DFADMP Cc1cnn(C)c1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000285334469 218385442 /nfs/dbraw/zinc/38/54/42/218385442.db2.gz CCWWXQXAPAQFMW-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623433536 399388936 /nfs/dbraw/zinc/38/89/36/399388936.db2.gz NWVDYTFPYHNPQE-HUUCEWRRSA-N 2 1 306.450 2.925 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445945 399391763 /nfs/dbraw/zinc/39/17/63/399391763.db2.gz LADOBIVKJOTLOG-UONOGXRCSA-N 2 1 322.884 2.776 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)OCCO3)CC1(C)C ZINC000623446908 399392943 /nfs/dbraw/zinc/39/29/43/399392943.db2.gz WDXMXGBFMCSUAK-MRXNPFEDSA-N 2 1 318.461 2.853 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C[C@H]3C)cnc21 ZINC000422559671 296312320 /nfs/dbraw/zinc/31/23/20/296312320.db2.gz DTBAFCKCCAQPMY-CKEIUWERSA-N 2 1 315.465 2.817 20 0 DFADMP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268846469 207012741 /nfs/dbraw/zinc/01/27/41/207012741.db2.gz BQKPYNQJILEPJQ-LJQANCHMSA-N 2 1 322.468 2.973 20 0 DFADMP Cc1ccc(C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CC2)cc1 ZINC000268852218 207020167 /nfs/dbraw/zinc/02/01/67/207020167.db2.gz PWCURGUTJRPDFA-HXUWFJFHSA-N 2 1 316.489 2.753 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623474925 399397554 /nfs/dbraw/zinc/39/75/54/399397554.db2.gz VNXKPGXFQYQQBG-RDJZCZTQSA-N 2 1 315.461 2.947 20 0 DFADMP CSc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1F ZINC000268875651 207044952 /nfs/dbraw/zinc/04/49/52/207044952.db2.gz WQDZQOUMJHKJRR-JSGCOSHPSA-N 2 1 312.454 2.655 20 0 DFADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268889780 207059691 /nfs/dbraw/zinc/05/96/91/207059691.db2.gz ZXYGDIOEWUMPQL-DOTOQJQBSA-N 2 1 306.450 2.581 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000268904045 207072412 /nfs/dbraw/zinc/07/24/12/207072412.db2.gz LPLVAARMRVVVSL-MJGOQNOKSA-N 2 1 302.462 2.891 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)CC1(C)C ZINC000623499713 399402663 /nfs/dbraw/zinc/40/26/63/399402663.db2.gz NITNHOLHPUYSJE-IXDOHACOSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000268917592 207084969 /nfs/dbraw/zinc/08/49/69/207084969.db2.gz VHKFVJGMIJHKNT-NJAFHUGGSA-N 2 1 304.478 2.894 20 0 DFADMP CC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422687311 296317993 /nfs/dbraw/zinc/31/79/93/296317993.db2.gz BLSUVIORONYOGH-OALUTQOASA-N 2 1 316.493 2.556 20 0 DFADMP C[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422699051 296318278 /nfs/dbraw/zinc/31/82/78/296318278.db2.gz CHOCCBAGXKSAIT-MAUKXSAKSA-N 2 1 301.478 2.553 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000623502773 399403237 /nfs/dbraw/zinc/40/32/37/399403237.db2.gz ZZOACDWHTDFWTI-VNHYZAJKSA-N 2 1 322.415 2.932 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422712326 296320186 /nfs/dbraw/zinc/32/01/86/296320186.db2.gz IISOJWCEBFWJGC-XUVXKRRUSA-N 2 1 315.505 2.801 20 0 DFADMP COc1ccccc1[C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000422709300 296319863 /nfs/dbraw/zinc/31/98/63/296319863.db2.gz KIBXIXCPUVAJQN-JZXOWHBKSA-N 2 1 319.493 2.938 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3nsnc32)CC1 ZINC000268953003 207115837 /nfs/dbraw/zinc/11/58/37/207115837.db2.gz VWTBYNZQFBEKQH-UHFFFAOYSA-N 2 1 304.463 2.996 20 0 DFADMP CC[C@@H](NC[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422714529 296320632 /nfs/dbraw/zinc/32/06/32/296320632.db2.gz LAEUDFQBQBFEIS-IPELMVKDSA-N 2 1 301.478 2.553 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])cc1OC1CCCC1 ZINC000422713933 296320645 /nfs/dbraw/zinc/32/06/45/296320645.db2.gz QEIQHGDFHMFFKI-JKSUJKDBSA-N 2 1 304.434 2.986 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)CC1(C)C ZINC000623541511 399412377 /nfs/dbraw/zinc/41/23/77/399412377.db2.gz NJIGCWMONPGGCM-BFYDXBDKSA-N 2 1 303.450 2.764 20 0 DFADMP CC[C@@H](NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722212 296321885 /nfs/dbraw/zinc/32/18/85/296321885.db2.gz XERCBWMNZQQGOY-BMFZPTHFSA-N 2 1 307.507 2.615 20 0 DFADMP CC[C@@H](NC[C@@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722212 296321886 /nfs/dbraw/zinc/32/18/86/296321886.db2.gz XERCBWMNZQQGOY-BMFZPTHFSA-N 2 1 307.507 2.615 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722212 296321887 /nfs/dbraw/zinc/32/18/87/296321887.db2.gz XERCBWMNZQQGOY-BMFZPTHFSA-N 2 1 307.507 2.615 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623545046 399413036 /nfs/dbraw/zinc/41/30/36/399413036.db2.gz YMHCTCPEYZTJDK-ZWKOTPCHSA-N 2 1 304.478 2.669 20 0 DFADMP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000623572478 399418869 /nfs/dbraw/zinc/41/88/69/399418869.db2.gz BEHIKIMXNVYLJY-CQSZACIVSA-N 2 1 304.425 2.901 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NCc1cccs1 ZINC000623556974 399415102 /nfs/dbraw/zinc/41/51/02/399415102.db2.gz GMZCRDJNWKWNHY-ZFWWWQNUSA-N 2 1 323.506 2.605 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NCc1cccs1 ZINC000623556974 399415105 /nfs/dbraw/zinc/41/51/05/399415105.db2.gz GMZCRDJNWKWNHY-ZFWWWQNUSA-N 2 1 323.506 2.605 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000268984151 207143227 /nfs/dbraw/zinc/14/32/27/207143227.db2.gz LCAUULHMPKMAFW-CEXWTWQISA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000268984151 207143231 /nfs/dbraw/zinc/14/32/31/207143231.db2.gz LCAUULHMPKMAFW-CEXWTWQISA-N 2 1 302.462 2.648 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268985485 207143712 /nfs/dbraw/zinc/14/37/12/207143712.db2.gz FJBVNTAZESRLIM-GDZNZVCISA-N 2 1 319.474 2.944 20 0 DFADMP CCc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000422729471 296322713 /nfs/dbraw/zinc/32/27/13/296322713.db2.gz IDWGLGIKUQBFEL-OTWHNJEPSA-N 2 1 303.494 2.959 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)CC1(C)C ZINC000623594743 399424173 /nfs/dbraw/zinc/42/41/73/399424173.db2.gz HIEFQZQQTYJQIT-KSSFIOAISA-N 2 1 304.434 2.679 20 0 DFADMP C[N@H+]1CCCC[C@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623656494 399436563 /nfs/dbraw/zinc/43/65/63/399436563.db2.gz VJKLZAZKHDHVJD-LJQANCHMSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000623656494 399436568 /nfs/dbraw/zinc/43/65/68/399436568.db2.gz VJKLZAZKHDHVJD-LJQANCHMSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000623656494 399436570 /nfs/dbraw/zinc/43/65/70/399436570.db2.gz VJKLZAZKHDHVJD-LJQANCHMSA-N 2 1 315.505 2.973 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)ccc(F)c1F ZINC000623657913 399437824 /nfs/dbraw/zinc/43/78/24/399437824.db2.gz CKJLLCAXXJXDEX-CYBMUJFWSA-N 2 1 311.420 2.852 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc(F)c1F ZINC000623657913 399437827 /nfs/dbraw/zinc/43/78/27/399437827.db2.gz CKJLLCAXXJXDEX-CYBMUJFWSA-N 2 1 311.420 2.852 20 0 DFADMP CC(C)(O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269064914 207213536 /nfs/dbraw/zinc/21/35/36/207213536.db2.gz VJQWMRNORSHEAO-ROUUACIJSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269064914 207213540 /nfs/dbraw/zinc/21/35/40/207213540.db2.gz VJQWMRNORSHEAO-ROUUACIJSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269064914 207213544 /nfs/dbraw/zinc/21/35/44/207213544.db2.gz VJQWMRNORSHEAO-ROUUACIJSA-N 2 1 302.462 2.744 20 0 DFADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)[nH]c1C ZINC000602447438 399447042 /nfs/dbraw/zinc/44/70/42/399447042.db2.gz GIPAMOXGNKMBFG-UHFFFAOYSA-N 2 1 321.465 2.662 20 0 DFADMP COC(=O)c1csc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000602487280 399459980 /nfs/dbraw/zinc/45/99/80/399459980.db2.gz YSPNBKRLFHOQIA-AWEZNQCLSA-N 2 1 319.430 2.704 20 0 DFADMP COC(=O)c1csc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000602487280 399459982 /nfs/dbraw/zinc/45/99/82/399459982.db2.gz YSPNBKRLFHOQIA-AWEZNQCLSA-N 2 1 319.430 2.704 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000602475644 399455135 /nfs/dbraw/zinc/45/51/35/399455135.db2.gz LXTBOYWVYDEJDH-DOMZBBRYSA-N 2 1 310.463 2.697 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195093 184277735 /nfs/dbraw/zinc/27/77/35/184277735.db2.gz DAQLWBOAZSDVJU-SWLSCSKDSA-N 2 1 309.841 2.870 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195093 184277736 /nfs/dbraw/zinc/27/77/36/184277736.db2.gz DAQLWBOAZSDVJU-SWLSCSKDSA-N 2 1 309.841 2.870 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000269125746 207261162 /nfs/dbraw/zinc/26/11/62/207261162.db2.gz CXPZMWJZNXAPMC-UHFFFAOYSA-N 2 1 303.431 2.781 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129828 207262382 /nfs/dbraw/zinc/26/23/82/207262382.db2.gz JKUFEKWVSASOHJ-LJQANCHMSA-N 2 1 313.445 2.954 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129828 207262385 /nfs/dbraw/zinc/26/23/85/207262385.db2.gz JKUFEKWVSASOHJ-LJQANCHMSA-N 2 1 313.445 2.954 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cc1C ZINC000602513760 399465469 /nfs/dbraw/zinc/46/54/69/399465469.db2.gz CPLLFUAPDISHEQ-HNNXBMFYSA-N 2 1 321.465 2.854 20 0 DFADMP C[N@@H+]1CCC[C@H]1CNCc1ccccc1OCC(F)(F)F ZINC000623785663 399465495 /nfs/dbraw/zinc/46/54/95/399465495.db2.gz BTQNSXOFLLLEEC-ZDUSSCGKSA-N 2 1 302.340 2.812 20 0 DFADMP C[N@H+]1CCC[C@H]1CNCc1ccccc1OCC(F)(F)F ZINC000623785663 399465499 /nfs/dbraw/zinc/46/54/99/399465499.db2.gz BTQNSXOFLLLEEC-ZDUSSCGKSA-N 2 1 302.340 2.812 20 0 DFADMP C[N@@H+]1CCC[C@H]1CNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000623785679 399465274 /nfs/dbraw/zinc/46/52/74/399465274.db2.gz CHPHLIJOCMDCON-LBPRGKRZSA-N 2 1 320.330 2.951 20 0 DFADMP C[N@H+]1CCC[C@H]1CNCc1ccc(OCC(F)(F)F)c(F)c1 ZINC000623785679 399465277 /nfs/dbraw/zinc/46/52/77/399465277.db2.gz CHPHLIJOCMDCON-LBPRGKRZSA-N 2 1 320.330 2.951 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)[nH]1 ZINC000602515843 399465918 /nfs/dbraw/zinc/46/59/18/399465918.db2.gz ZRXGFWRXHVVFOD-OAHLLOKOSA-N 2 1 321.465 2.936 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422741141 296324457 /nfs/dbraw/zinc/32/44/57/296324457.db2.gz OFTQZHCPXNWHIN-UXLLHSPISA-N 2 1 310.445 2.980 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422737170 296323838 /nfs/dbraw/zinc/32/38/38/296323838.db2.gz HTHPVWXBKKSOJW-UHOSZYNNSA-N 2 1 303.494 2.655 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000422738521 296323995 /nfs/dbraw/zinc/32/39/95/296323995.db2.gz JOBAXRSLEQYDAQ-QXAKKESOSA-N 2 1 317.477 2.562 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[nH]1 ZINC000602543508 399471464 /nfs/dbraw/zinc/47/14/64/399471464.db2.gz BYPVIBCJZXXECF-OAHLLOKOSA-N 2 1 309.454 2.647 20 0 DFADMP COC(=O)C(C)(C)[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000611406152 399471769 /nfs/dbraw/zinc/47/17/69/399471769.db2.gz NLYWSPOOUBBDOG-MRXNPFEDSA-N 2 1 315.417 2.722 20 0 DFADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422742245 296324501 /nfs/dbraw/zinc/32/45/01/296324501.db2.gz PUEDPSQZTYWLHA-RBUKOAKNSA-N 3 1 301.478 2.801 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422740773 296324510 /nfs/dbraw/zinc/32/45/10/296324510.db2.gz NEAVPSSHOBPAGI-RNIPGJKVSA-N 2 1 301.478 2.942 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)c1c[nH+]ccc1N ZINC000422741142 296324575 /nfs/dbraw/zinc/32/45/75/296324575.db2.gz OFTQZHCPXNWHIN-YQQAZPJKSA-N 2 1 310.445 2.980 20 0 DFADMP CCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422746724 296325694 /nfs/dbraw/zinc/32/56/94/296325694.db2.gz XBAWSEZKNDABCD-VQIMIIECSA-N 2 1 303.494 2.657 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1c[nH+]ccc1N ZINC000422745619 296325297 /nfs/dbraw/zinc/32/52/97/296325297.db2.gz MOTIONFMMSJOKG-ZBEGNZNMSA-N 2 1 320.387 2.726 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422744904 296325352 /nfs/dbraw/zinc/32/53/52/296325352.db2.gz UIUABUGEFUMQGR-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422744904 296325353 /nfs/dbraw/zinc/32/53/53/296325353.db2.gz UIUABUGEFUMQGR-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP CC[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745660 296325394 /nfs/dbraw/zinc/32/53/94/296325394.db2.gz VKMFMCAWJTWHQW-NQYYFHDYSA-N 2 1 301.478 2.942 20 0 DFADMP COc1ccccc1[C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422749005 296326298 /nfs/dbraw/zinc/32/62/98/296326298.db2.gz WZUOCZKPQBWKPK-UXLLHSPISA-N 2 1 305.466 2.548 20 0 DFADMP CCOc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OCC ZINC000422751124 296326417 /nfs/dbraw/zinc/32/64/17/296326417.db2.gz CHKAADCGCZBMPN-ZBFHGGJFSA-N 2 1 306.450 2.757 20 0 DFADMP CCOc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OCC ZINC000422751121 296326617 /nfs/dbraw/zinc/32/66/17/296326617.db2.gz CHKAADCGCZBMPN-GOEBONIOSA-N 2 1 306.450 2.757 20 0 DFADMP CCOc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OCC ZINC000422751123 296326677 /nfs/dbraw/zinc/32/66/77/296326677.db2.gz CHKAADCGCZBMPN-HOCLYGCPSA-N 2 1 306.450 2.757 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3COc4ccccc4O3)CC[NH2+]2)cc1 ZINC000422752303 296326951 /nfs/dbraw/zinc/32/69/51/296326951.db2.gz DRYAGLMBBAITQE-KURKYZTESA-N 2 1 324.424 2.909 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422760017 296328179 /nfs/dbraw/zinc/32/81/79/296328179.db2.gz LKAQVLAVVWGNFV-FRQCXROJSA-N 2 1 317.477 2.784 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000623853441 399480331 /nfs/dbraw/zinc/48/03/31/399480331.db2.gz YHVQWCAERXUQMW-QFBILLFUSA-N 2 1 318.461 2.566 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)O[C@H](C)C2 ZINC000422777728 296331454 /nfs/dbraw/zinc/33/14/54/296331454.db2.gz GIJPCPFEKGVBJU-JJRVBVJISA-N 2 1 318.461 2.886 20 0 DFADMP COC(=O)c1csc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000602609071 399489716 /nfs/dbraw/zinc/48/97/16/399489716.db2.gz QSBMFGLBTVGSCF-ZDUSSCGKSA-N 2 1 310.463 2.889 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1OC)[C@@H]1CCCC[NH2+]1 ZINC000422787428 296332796 /nfs/dbraw/zinc/33/27/96/296332796.db2.gz MAXVYZHCFIAINW-JYJNAYRXSA-N 2 1 306.450 2.973 20 0 DFADMP Fc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCO2)cc1 ZINC000422787559 296333002 /nfs/dbraw/zinc/33/30/02/296333002.db2.gz ROPCXSCITZGBLE-VQTPCSAVSA-N 2 1 304.409 2.918 20 0 DFADMP C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000422788414 296333027 /nfs/dbraw/zinc/33/30/27/296333027.db2.gz NKBRBBDWKJHRAF-IAGOWNOFSA-N 2 1 301.478 2.760 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCOC[C@H]3CCOC3)CC[NH2+]2)cc1 ZINC000422788705 296333050 /nfs/dbraw/zinc/33/30/50/296333050.db2.gz STTVIWNBYJXWMM-NEWSRXKRSA-N 2 1 318.461 2.513 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422789546 296333319 /nfs/dbraw/zinc/33/33/19/296333319.db2.gz UBXHYUGXMCSWFB-RYUDHWBXSA-N 2 1 302.397 2.578 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422793864 296333999 /nfs/dbraw/zinc/33/39/99/296333999.db2.gz TUDUSLYFZWRSME-WBAXXEDZSA-N 2 1 306.450 2.973 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797435 296334698 /nfs/dbraw/zinc/33/46/98/296334698.db2.gz MNDCWTLCRJXIHQ-HHXXYDBFSA-N 2 1 319.493 2.666 20 0 DFADMP C[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1c[nH+]ccc1N ZINC000422801125 296335479 /nfs/dbraw/zinc/33/54/79/296335479.db2.gz BEGUZBDAOYICJF-CYBMUJFWSA-N 2 1 321.428 2.959 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797436 296334791 /nfs/dbraw/zinc/33/47/91/296334791.db2.gz MNDCWTLCRJXIHQ-KVSKMBFKSA-N 2 1 319.493 2.666 20 0 DFADMP CC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422801464 296335686 /nfs/dbraw/zinc/33/56/86/296335686.db2.gz BZKJSABIYSSHRS-ATZDWAIDSA-N 2 1 301.478 2.553 20 0 DFADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422809072 296336963 /nfs/dbraw/zinc/33/69/63/296336963.db2.gz RFPPJAVJRQWFCJ-BRWVUGGUSA-N 2 1 304.434 2.714 20 0 DFADMP Cc1csc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422810595 296337191 /nfs/dbraw/zinc/33/71/91/296337191.db2.gz NVDPHTUFIZNSGU-RHSMWYFYSA-N 2 1 315.442 2.797 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000422814512 296337901 /nfs/dbraw/zinc/33/79/01/296337901.db2.gz VFZBGHGTTVAEEM-QAETUUGQSA-N 2 1 319.493 2.511 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814510 296337973 /nfs/dbraw/zinc/33/79/73/296337973.db2.gz VFZBGHGTTVAEEM-LUKYLMHMSA-N 3 1 319.493 2.511 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814510 296337976 /nfs/dbraw/zinc/33/79/76/296337976.db2.gz VFZBGHGTTVAEEM-LUKYLMHMSA-N 2 1 319.493 2.511 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841406 399506115 /nfs/dbraw/zinc/50/61/15/399506115.db2.gz KHBNXCFCFYDECO-KKUMJFAQSA-N 2 1 303.450 2.664 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841406 399506119 /nfs/dbraw/zinc/50/61/19/399506119.db2.gz KHBNXCFCFYDECO-KKUMJFAQSA-N 2 1 303.450 2.664 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841498 399506341 /nfs/dbraw/zinc/50/63/41/399506341.db2.gz LHGJUDZXVRSKEG-GRDNDAEWSA-N 2 1 317.477 2.665 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841498 399506345 /nfs/dbraw/zinc/50/63/45/399506345.db2.gz LHGJUDZXVRSKEG-GRDNDAEWSA-N 2 1 317.477 2.665 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842160 399506353 /nfs/dbraw/zinc/50/63/53/399506353.db2.gz WKDCCORTFRBNME-DRZSPHRISA-N 2 1 309.841 2.502 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631842160 399506354 /nfs/dbraw/zinc/50/63/54/399506354.db2.gz WKDCCORTFRBNME-DRZSPHRISA-N 2 1 309.841 2.502 20 0 DFADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631844721 399506475 /nfs/dbraw/zinc/50/64/75/399506475.db2.gz LRNGSDNGVNDCQL-KDOFPFPSSA-N 2 1 313.449 2.868 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841408 399506588 /nfs/dbraw/zinc/50/65/88/399506588.db2.gz KHBNXCFCFYDECO-SOUVJXGZSA-N 2 1 303.450 2.664 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631841408 399506590 /nfs/dbraw/zinc/50/65/90/399506590.db2.gz KHBNXCFCFYDECO-SOUVJXGZSA-N 2 1 303.450 2.664 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818925 296339114 /nfs/dbraw/zinc/33/91/14/296339114.db2.gz HNEVZVRHUBEQIQ-KBPBESRZSA-N 2 1 302.340 2.735 20 0 DFADMP CCC[N@@H+](CC)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422816886 296338620 /nfs/dbraw/zinc/33/86/20/296338620.db2.gz BPASBJLEQWZPEJ-MOPGFXCFSA-N 2 1 319.493 2.810 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422823524 296339748 /nfs/dbraw/zinc/33/97/48/296339748.db2.gz DNLXBOSDDPVWIO-LPHOPBHVSA-N 2 1 324.472 2.730 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422839127 296342383 /nfs/dbraw/zinc/34/23/83/296342383.db2.gz ZGVAHSBXFRLPFX-JKSUJKDBSA-N 2 1 300.450 2.731 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834944 296341731 /nfs/dbraw/zinc/34/17/31/296341731.db2.gz HZWQVDBPUJQBGD-BFYDXBDKSA-N 2 1 307.507 2.690 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCNc3ccccn3)CC[NH2+]2)cc1 ZINC000422836951 296342052 /nfs/dbraw/zinc/34/20/52/296342052.db2.gz SHGQOBNKRZEQHY-MSOLQXFVSA-N 2 1 310.445 2.967 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422853429 296345232 /nfs/dbraw/zinc/34/52/32/296345232.db2.gz BTTGEPYYHFLQAN-CVEARBPZSA-N 3 1 301.478 2.759 20 0 DFADMP C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422853429 296345233 /nfs/dbraw/zinc/34/52/33/296345233.db2.gz BTTGEPYYHFLQAN-CVEARBPZSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422853429 296345234 /nfs/dbraw/zinc/34/52/34/296345234.db2.gz BTTGEPYYHFLQAN-CVEARBPZSA-N 2 1 301.478 2.759 20 0 DFADMP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000422867045 296346938 /nfs/dbraw/zinc/34/69/38/296346938.db2.gz RMCZKUHTADMORI-YOEHRIQHSA-N 3 1 316.449 2.585 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422860045 296346041 /nfs/dbraw/zinc/34/60/41/296346041.db2.gz KYPYJLGANPPQPC-QRQLOZEOSA-N 2 1 301.478 2.801 20 0 DFADMP CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)[C@@H]1CCCC[NH2+]1 ZINC000422859334 296346084 /nfs/dbraw/zinc/34/60/84/296346084.db2.gz JZFFAZKECJOTHZ-OALUTQOASA-N 2 1 312.461 2.925 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422868740 296347347 /nfs/dbraw/zinc/34/73/47/296347347.db2.gz VTWLPEVIWCDYSG-AYOQOUSVSA-N 2 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422868740 296347349 /nfs/dbraw/zinc/34/73/49/296347349.db2.gz VTWLPEVIWCDYSG-AYOQOUSVSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422868740 296347350 /nfs/dbraw/zinc/34/73/50/296347350.db2.gz VTWLPEVIWCDYSG-AYOQOUSVSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422878074 296349106 /nfs/dbraw/zinc/34/91/06/296349106.db2.gz IVQXDMREIPIQIX-ZWJWXYIHSA-N 2 1 307.526 2.865 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422878074 296349107 /nfs/dbraw/zinc/34/91/07/296349107.db2.gz IVQXDMREIPIQIX-ZWJWXYIHSA-N 3 1 307.526 2.865 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422878074 296349108 /nfs/dbraw/zinc/34/91/08/296349108.db2.gz IVQXDMREIPIQIX-ZWJWXYIHSA-N 3 1 307.526 2.865 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422874399 296348365 /nfs/dbraw/zinc/34/83/65/296348365.db2.gz CSPHVGVVGYHHOG-JKSUJKDBSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422874399 296348368 /nfs/dbraw/zinc/34/83/68/296348368.db2.gz CSPHVGVVGYHHOG-JKSUJKDBSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422874399 296348370 /nfs/dbraw/zinc/34/83/70/296348370.db2.gz CSPHVGVVGYHHOG-JKSUJKDBSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422886791 296351010 /nfs/dbraw/zinc/35/10/10/296351010.db2.gz XRWNYNKTBLXXQO-OXQOHEQNSA-N 2 1 320.440 2.920 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422892553 296351798 /nfs/dbraw/zinc/35/17/98/296351798.db2.gz NHAPWHUGIXCOFT-DLBZAZTESA-N 2 1 303.450 2.576 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422886790 296350812 /nfs/dbraw/zinc/35/08/12/296350812.db2.gz XRWNYNKTBLXXQO-OXJNMPFZSA-N 2 1 320.440 2.920 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]C1[C@H](C)CN(Cc2ccccc2)C[C@H]1C ZINC000422886837 296350893 /nfs/dbraw/zinc/35/08/93/296350893.db2.gz JTEASGNFQJQNNW-BRWVUGGUSA-N 2 1 303.494 2.860 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000422901839 296353039 /nfs/dbraw/zinc/35/30/39/296353039.db2.gz SJMZFJHDMROBKU-ZIAGYGMSSA-N 2 1 314.408 2.810 20 0 DFADMP CC[NH+](CC)CCOc1ccc(CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000422893269 296351812 /nfs/dbraw/zinc/35/18/12/296351812.db2.gz PTMJJGBQFREQGN-SFHVURJKSA-N 2 1 319.493 2.639 20 0 DFADMP C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422894137 296351871 /nfs/dbraw/zinc/35/18/71/296351871.db2.gz SICROFRVLWWTSV-SMDDNHRTSA-N 2 1 302.340 2.858 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422893655 296351944 /nfs/dbraw/zinc/35/19/44/296351944.db2.gz AMIIZVTUQHHVGC-RBUKOAKNSA-N 2 1 312.413 2.946 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422908677 296354748 /nfs/dbraw/zinc/35/47/48/296354748.db2.gz YYRKLDDVOSZGOQ-HZPDHXFCSA-N 2 1 302.397 2.761 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422905658 296354264 /nfs/dbraw/zinc/35/42/64/296354264.db2.gz IOFHFJZVUDBQKA-IYOUNJFTSA-N 2 1 323.431 2.659 20 0 DFADMP C[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422929286 296356451 /nfs/dbraw/zinc/35/64/51/296356451.db2.gz PCKIIPBODKFTAA-WFASDCNBSA-N 2 1 324.852 2.774 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(Cl)cn1 ZINC000422928317 296356457 /nfs/dbraw/zinc/35/64/57/296356457.db2.gz KAJVNMCYTIYQAQ-BBRMVZONSA-N 2 1 319.836 2.662 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422937712 296357985 /nfs/dbraw/zinc/35/79/85/296357985.db2.gz KAARPYWRKMIFTO-HOJAQTOUSA-N 2 1 315.505 2.786 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422937712 296357987 /nfs/dbraw/zinc/35/79/87/296357987.db2.gz KAARPYWRKMIFTO-HOJAQTOUSA-N 2 1 315.505 2.786 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[C@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422937661 296358005 /nfs/dbraw/zinc/35/80/05/296358005.db2.gz JQDSGKOALUKEBI-QRVBRYPASA-N 3 1 301.478 2.539 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422937661 296358006 /nfs/dbraw/zinc/35/80/06/296358006.db2.gz JQDSGKOALUKEBI-QRVBRYPASA-N 3 1 301.478 2.539 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000422940117 296358282 /nfs/dbraw/zinc/35/82/82/296358282.db2.gz IRMSHBJWSSYCPM-YESZJQIVSA-N 3 1 319.493 2.513 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000422940117 296358284 /nfs/dbraw/zinc/35/82/84/296358284.db2.gz IRMSHBJWSSYCPM-YESZJQIVSA-N 2 1 319.493 2.513 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422943967 296358733 /nfs/dbraw/zinc/35/87/33/296358733.db2.gz LTCZBZMIVULPMN-YJBOKZPZSA-N 2 1 324.472 2.968 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1Cl ZINC000631888614 399519687 /nfs/dbraw/zinc/51/96/87/399519687.db2.gz XWBISWSFWFAQAA-CZUORRHYSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccccc1Cl ZINC000631888614 399519690 /nfs/dbraw/zinc/51/96/90/399519690.db2.gz XWBISWSFWFAQAA-CZUORRHYSA-N 2 1 321.852 2.743 20 0 DFADMP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000269994038 208045755 /nfs/dbraw/zinc/04/57/55/208045755.db2.gz VRYKAIGVSHGYHX-RTBURBONSA-N 2 1 310.445 2.648 20 0 DFADMP CC[C@](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695862 399524355 /nfs/dbraw/zinc/52/43/55/399524355.db2.gz PSJDZTZAPDRRLQ-SZVBFZGTSA-N 2 1 318.461 2.580 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3C[NH2+]CC[C@H]3C)c2)C[C@H](C)O1 ZINC000422953570 296360278 /nfs/dbraw/zinc/36/02/78/296360278.db2.gz FRDBSZJMPRUREQ-OAFZBRQQSA-N 2 1 317.477 2.706 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422952610 296360355 /nfs/dbraw/zinc/36/03/55/296360355.db2.gz BNGSZRVGVJALCS-ZFWWWQNUSA-N 2 1 316.474 2.725 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422961841 296361410 /nfs/dbraw/zinc/36/14/10/296361410.db2.gz BEFFKDZBTUMRRV-YPMHNXCESA-N 2 1 318.387 2.839 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1c[nH+]ccc1N ZINC000422968552 296362794 /nfs/dbraw/zinc/36/27/94/296362794.db2.gz WYRYLMWZIDQKMJ-WMLDXEAASA-N 2 1 314.433 2.965 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C(C)C)N1CCCC1 ZINC000422969002 296362629 /nfs/dbraw/zinc/36/26/29/296362629.db2.gz YKLYIYCBPLHJAZ-KDOFPFPSSA-N 2 1 304.482 2.620 20 0 DFADMP C[N@@H+](Cc1cc(O)ccc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000625347807 399529626 /nfs/dbraw/zinc/52/96/26/399529626.db2.gz HBWQNMPAGPOZAZ-GFCCVEGCSA-N 2 1 305.809 2.937 20 0 DFADMP C[N@H+](Cc1cc(O)ccc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000625347807 399529627 /nfs/dbraw/zinc/52/96/27/399529627.db2.gz HBWQNMPAGPOZAZ-GFCCVEGCSA-N 2 1 305.809 2.937 20 0 DFADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)OC ZINC000422991452 296364667 /nfs/dbraw/zinc/36/46/67/296364667.db2.gz BBAKJRNGARIVGW-MLHJIOFPSA-N 2 1 312.498 2.574 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422991258 296364680 /nfs/dbraw/zinc/36/46/80/296364680.db2.gz AQYDNPMOQWSQNV-NVXWUHKLSA-N 2 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000422991258 296364683 /nfs/dbraw/zinc/36/46/83/296364683.db2.gz AQYDNPMOQWSQNV-NVXWUHKLSA-N 2 1 318.509 2.867 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005117 296366264 /nfs/dbraw/zinc/36/62/64/296366264.db2.gz QTUDHVUEWWFZDY-ZIAGYGMSSA-N 2 1 302.340 2.735 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423008845 296367133 /nfs/dbraw/zinc/36/71/33/296367133.db2.gz BHARQHPDACSEDI-UONOGXRCSA-N 2 1 314.408 2.953 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423029770 296369477 /nfs/dbraw/zinc/36/94/77/296369477.db2.gz VKZJUBSGUPPTIV-BFQNTYOBSA-N 2 1 311.832 2.788 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423030874 296369927 /nfs/dbraw/zinc/36/99/27/296369927.db2.gz KBDRUYCQQUKJHD-LSDHHAIUSA-N 3 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000423030871 296369954 /nfs/dbraw/zinc/36/99/54/296369954.db2.gz KBDRUYCQQUKJHD-CABCVRRESA-N 3 1 304.482 2.764 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1Cl ZINC000423037325 296370699 /nfs/dbraw/zinc/37/06/99/296370699.db2.gz MQGVZDYQSQLVJQ-DJIMGWMZSA-N 2 1 308.853 2.895 20 0 DFADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423055532 296372686 /nfs/dbraw/zinc/37/26/86/296372686.db2.gz DDIMZGHSRKNZBQ-NJYVYQBISA-N 2 1 324.468 2.981 20 0 DFADMP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423054355 296372865 /nfs/dbraw/zinc/37/28/65/296372865.db2.gz UOIIYSMOFZKFSQ-DRPJVOAASA-N 2 1 306.475 2.872 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000423053073 296372301 /nfs/dbraw/zinc/37/23/01/296372301.db2.gz RZRALHZIDPUAQX-NZSAHSFTSA-N 2 1 303.494 2.873 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000423053072 296372330 /nfs/dbraw/zinc/37/23/30/296372330.db2.gz RZRALHZIDPUAQX-BHIYHBOVSA-N 2 1 303.494 2.873 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000159281603 197341948 /nfs/dbraw/zinc/34/19/48/197341948.db2.gz JXNCKPMTKWYFJK-HNNXBMFYSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000159167711 197332313 /nfs/dbraw/zinc/33/23/13/197332313.db2.gz JZTBCPQLCQKPMU-TZMCWYRMSA-N 2 1 324.852 2.726 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000159259309 197339985 /nfs/dbraw/zinc/33/99/85/197339985.db2.gz AAZPLZSENNXDHN-INIZCTEOSA-N 3 1 319.493 2.762 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c2ccccc21 ZINC000423069411 296374469 /nfs/dbraw/zinc/37/44/69/296374469.db2.gz BCCLXFIZSYBJPP-VXGBXAGGSA-N 2 1 306.303 2.638 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOCC(F)(F)C(F)F)c2ccccc21 ZINC000423069408 296374557 /nfs/dbraw/zinc/37/45/57/296374557.db2.gz BCCLXFIZSYBJPP-NWDGAFQWSA-N 2 1 306.303 2.638 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063738 296373718 /nfs/dbraw/zinc/37/37/18/296373718.db2.gz POBCBVKIFNWIOB-RBUKOAKNSA-N 2 1 301.478 2.629 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063738 296373719 /nfs/dbraw/zinc/37/37/19/296373719.db2.gz POBCBVKIFNWIOB-RBUKOAKNSA-N 2 1 301.478 2.629 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000347653222 285115146 /nfs/dbraw/zinc/11/51/46/285115146.db2.gz QXUWVAMHOIEGKC-UHFFFAOYSA-N 2 1 307.486 2.803 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C(C)C)nn2)CC1 ZINC000347653222 285115147 /nfs/dbraw/zinc/11/51/47/285115147.db2.gz QXUWVAMHOIEGKC-UHFFFAOYSA-N 2 1 307.486 2.803 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000159091653 197326108 /nfs/dbraw/zinc/32/61/08/197326108.db2.gz JXOGBTSTMPSXEF-AWEZNQCLSA-N 2 1 324.440 2.986 20 0 DFADMP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CC[NH2+]CC1 ZINC000423068307 296374636 /nfs/dbraw/zinc/37/46/36/296374636.db2.gz JPDHMBNQIIPFGT-SNVBAGLBSA-N 2 1 313.239 2.860 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000423086752 296376654 /nfs/dbraw/zinc/37/66/54/296376654.db2.gz NYGKZMXBLKMSQB-RDJZCZTQSA-N 3 1 310.445 2.667 20 0 DFADMP C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000423086753 296376844 /nfs/dbraw/zinc/37/68/44/296376844.db2.gz NYGKZMXBLKMSQB-WBVHZDCISA-N 3 1 310.445 2.667 20 0 DFADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423091668 296377139 /nfs/dbraw/zinc/37/71/39/296377139.db2.gz YDCKAHKDKDUUTJ-AKHDSKFASA-N 2 1 318.461 2.511 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423100438 296378175 /nfs/dbraw/zinc/37/81/75/296378175.db2.gz BSBXWPLLHDQROX-OQPBUACISA-N 2 1 319.193 2.944 20 0 DFADMP C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000423102268 296378733 /nfs/dbraw/zinc/37/87/33/296378733.db2.gz DSYFKLOZXZTOSQ-YMTOWFKASA-N 2 1 303.233 2.614 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC([NH+]3CCCCC3)CC2)s1 ZINC000347685648 285130729 /nfs/dbraw/zinc/13/07/29/285130729.db2.gz QGOSCRMWHMDXQX-UHFFFAOYSA-N 2 1 322.522 2.655 20 0 DFADMP CNC(=O)C[C@H]([NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000423105300 296378887 /nfs/dbraw/zinc/37/88/87/296378887.db2.gz YYWXGNRXRRBZLJ-JQHSSLGASA-N 2 1 317.477 2.764 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2occc2c1 ZINC000286475648 219009549 /nfs/dbraw/zinc/00/95/49/219009549.db2.gz LDAKOLJZCSOSSK-KRWDZBQOSA-N 2 1 302.418 2.759 20 0 DFADMP CCC[N@@H+](C)[C@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111772 296379735 /nfs/dbraw/zinc/37/97/35/296379735.db2.gz WNNZFXHTOBZMNC-CXAGYDPISA-N 2 1 309.885 2.920 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423113483 296380021 /nfs/dbraw/zinc/38/00/21/296380021.db2.gz UIQCLGVMDFLKMK-XUVXKRRUSA-N 2 1 310.441 2.673 20 0 DFADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423114634 296380109 /nfs/dbraw/zinc/38/01/09/296380109.db2.gz ZSYUHWACLDHOKT-BDUQCRIQSA-N 2 1 314.473 2.988 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccsc1Br ZINC000423116577 296380261 /nfs/dbraw/zinc/38/02/61/296380261.db2.gz QMERUIWYQNDPCW-GXSJLCMTSA-N 2 1 303.269 2.988 20 0 DFADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423126054 296381391 /nfs/dbraw/zinc/38/13/91/296381391.db2.gz ANUPVGXJWSKWKT-FKSLSLAPSA-N 2 1 300.446 2.537 20 0 DFADMP CCN1C[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000347715801 285142814 /nfs/dbraw/zinc/14/28/14/285142814.db2.gz GWPUFAGAHZKALX-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+]1C[C@H](NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000347715801 285142817 /nfs/dbraw/zinc/14/28/17/285142817.db2.gz GWPUFAGAHZKALX-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2ccccc2C[NH+](C)C(C)C)[C@@H](C)C1 ZINC000347715801 285142821 /nfs/dbraw/zinc/14/28/21/285142821.db2.gz GWPUFAGAHZKALX-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@H+](C)C(C)C)[C@@H](C)C1 ZINC000347715801 285142824 /nfs/dbraw/zinc/14/28/24/285142824.db2.gz GWPUFAGAHZKALX-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@H](NCc2ccccc2C[N@@H+](C)C(C)C)[C@@H](C)C1 ZINC000347715801 285142827 /nfs/dbraw/zinc/14/28/27/285142827.db2.gz GWPUFAGAHZKALX-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423133813 296382776 /nfs/dbraw/zinc/38/27/76/296382776.db2.gz DAIXYOSJIKUYPC-ZIAGYGMSSA-N 2 1 314.408 2.810 20 0 DFADMP CC[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCC[NH2+]1 ZINC000423138724 296383468 /nfs/dbraw/zinc/38/34/68/296383468.db2.gz TYKKWTMSDBJWML-KBPBESRZSA-N 2 1 301.356 2.763 20 0 DFADMP CCN(C#N)CC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000602773606 399566388 /nfs/dbraw/zinc/56/63/88/399566388.db2.gz UDXNHHBYPJDBDJ-UHFFFAOYSA-N 2 1 314.477 2.633 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccnc2)[C@H](C)C1 ZINC000158507041 197279095 /nfs/dbraw/zinc/27/90/95/197279095.db2.gz YNNIXIZUCIWJEW-SOLBZPMBSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2cccnc2)[C@H](C)C1 ZINC000158507041 197279097 /nfs/dbraw/zinc/27/90/97/197279097.db2.gz YNNIXIZUCIWJEW-SOLBZPMBSA-N 2 1 305.466 2.869 20 0 DFADMP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)ccc1Cl ZINC000423144048 296384331 /nfs/dbraw/zinc/38/43/31/296384331.db2.gz YETYNCSPQHMNHA-KBAYOESNSA-N 2 1 322.880 2.938 20 0 DFADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423144660 296384463 /nfs/dbraw/zinc/38/44/63/296384463.db2.gz HPXWLDBHCBVAFC-RKTXRCNFSA-N 2 1 318.486 2.623 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602779794 399568078 /nfs/dbraw/zinc/56/80/78/399568078.db2.gz RJDCXIGRZJWMEH-CVEARBPZSA-N 2 1 319.449 2.776 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602779794 399568081 /nfs/dbraw/zinc/56/80/81/399568081.db2.gz RJDCXIGRZJWMEH-CVEARBPZSA-N 2 1 319.449 2.776 20 0 DFADMP CSc1ccc([C@H](CN[C@H](C)[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423147639 296385102 /nfs/dbraw/zinc/38/51/02/296385102.db2.gz SLWGFOFHFIALKI-UNEWFSDZSA-N 2 1 307.507 2.599 20 0 DFADMP CC(C)(C[C@@H]1CCC[N@H+]([C@H]2C[C@H](N)c3ccccc32)C1)C(N)=O ZINC000423163495 296386843 /nfs/dbraw/zinc/38/68/43/296386843.db2.gz VPIMZZWNMUHKDI-JQFCIGGWSA-N 2 1 315.461 2.745 20 0 DFADMP CC(C)(C[C@@H]1CCC[N@H+]([C@H]2C[C@H]([NH3+])c3ccccc32)C1)C(N)=O ZINC000423163495 296386848 /nfs/dbraw/zinc/38/68/48/296386848.db2.gz VPIMZZWNMUHKDI-JQFCIGGWSA-N 2 1 315.461 2.745 20 0 DFADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617009388 399570769 /nfs/dbraw/zinc/57/07/69/399570769.db2.gz XZWHIZVMYLAITB-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@H]1CC[NH+]1C(C)(C)C)C1CCCCC1 ZINC000617010192 399571440 /nfs/dbraw/zinc/57/14/40/399571440.db2.gz KNLWIRVJPRLZLP-MRXNPFEDSA-N 2 1 309.498 2.630 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000423172994 296387908 /nfs/dbraw/zinc/38/79/08/296387908.db2.gz WJPRCESGBPCOSD-NZSAHSFTSA-N 2 1 301.478 2.801 20 0 DFADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423172994 296387909 /nfs/dbraw/zinc/38/79/09/296387909.db2.gz WJPRCESGBPCOSD-NZSAHSFTSA-N 3 1 301.478 2.801 20 0 DFADMP C[NH+](CCC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)C1CCCCC1 ZINC000617010192 399571449 /nfs/dbraw/zinc/57/14/49/399571449.db2.gz KNLWIRVJPRLZLP-MRXNPFEDSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](CCC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)C1CCCCC1 ZINC000617010192 399571455 /nfs/dbraw/zinc/57/14/55/399571455.db2.gz KNLWIRVJPRLZLP-MRXNPFEDSA-N 2 1 309.498 2.630 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423172994 296387911 /nfs/dbraw/zinc/38/79/11/296387911.db2.gz WJPRCESGBPCOSD-NZSAHSFTSA-N 3 1 301.478 2.801 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCCC2)cc1NC(C)=O ZINC000423179340 296388845 /nfs/dbraw/zinc/38/88/45/296388845.db2.gz MAWWRDRRFXYECR-ZDUSSCGKSA-N 2 1 319.449 2.966 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)c2ccccc21 ZINC000423181645 296389374 /nfs/dbraw/zinc/38/93/74/296389374.db2.gz LHVJBYMECCBQLF-FSPWUOQZSA-N 2 1 300.377 2.636 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)CCn2cccn2)c1 ZINC000157738458 197211472 /nfs/dbraw/zinc/21/14/72/197211472.db2.gz YRUFKCGIXLBTFH-MRXNPFEDSA-N 2 1 300.450 2.903 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000271658011 209101392 /nfs/dbraw/zinc/10/13/92/209101392.db2.gz WVSNWRDWFUJTOO-IHRRRGAJSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000271658011 209101384 /nfs/dbraw/zinc/10/13/84/209101384.db2.gz WVSNWRDWFUJTOO-IHRRRGAJSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000271658011 209101386 /nfs/dbraw/zinc/10/13/86/209101386.db2.gz WVSNWRDWFUJTOO-IHRRRGAJSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000271658011 209101390 /nfs/dbraw/zinc/10/13/90/209101390.db2.gz WVSNWRDWFUJTOO-IHRRRGAJSA-N 2 1 306.406 2.543 20 0 DFADMP C[NH2+]CCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423201497 296391824 /nfs/dbraw/zinc/39/18/24/296391824.db2.gz PBCNMJVCAPDWQT-HSALFYBXSA-N 2 1 315.505 2.876 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423201497 296391825 /nfs/dbraw/zinc/39/18/25/296391825.db2.gz PBCNMJVCAPDWQT-HSALFYBXSA-N 3 1 315.505 2.876 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423201497 296391826 /nfs/dbraw/zinc/39/18/26/296391826.db2.gz PBCNMJVCAPDWQT-HSALFYBXSA-N 3 1 315.505 2.876 20 0 DFADMP Brc1ccccc1C[C@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 ZINC000423214801 296393342 /nfs/dbraw/zinc/39/33/42/296393342.db2.gz NCRLWEFPVXHMDX-ZFWWWQNUSA-N 2 1 309.251 2.722 20 0 DFADMP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423218073 296393667 /nfs/dbraw/zinc/39/36/67/296393667.db2.gz RHKSFAVRRRKSEU-XYJFISCASA-N 2 1 319.493 2.666 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+]1Cc1ccccc1 ZINC000620770544 399588383 /nfs/dbraw/zinc/58/83/83/399588383.db2.gz AWTCKWNVNDBQQF-WBVHZDCISA-N 2 1 317.477 2.544 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000423238271 296395900 /nfs/dbraw/zinc/39/59/00/296395900.db2.gz QZSKMFFHIMJTAW-LWYYNNOASA-N 2 1 313.489 2.771 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000629387820 399589927 /nfs/dbraw/zinc/58/99/27/399589927.db2.gz GBFDPBVQMKSKAL-WZGPROSRSA-N 2 1 301.478 2.770 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])nnn1-c1ccccc1 ZINC000423263608 296398129 /nfs/dbraw/zinc/39/81/29/296398129.db2.gz BEACQNUOGNTXPW-YSVLISHTSA-N 2 1 313.449 2.744 20 0 DFADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000423269680 296399015 /nfs/dbraw/zinc/39/90/15/296399015.db2.gz WDZWZPLBOAOYBV-UAFMIMERSA-N 2 1 315.505 2.860 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H](C)C[NH2+]C)CCC2 ZINC000423274042 296399465 /nfs/dbraw/zinc/39/94/65/296399465.db2.gz LPPCHVJYRHMJJP-AAEUAGOBSA-N 2 1 308.422 2.587 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423273424 296399520 /nfs/dbraw/zinc/39/95/20/296399520.db2.gz KQHGQNRSCMYTNA-XJKSGUPXSA-N 2 1 306.454 2.850 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423273655 296399576 /nfs/dbraw/zinc/39/95/76/296399576.db2.gz LHGRRGMCOPQSOC-IRXDYDNUSA-N 3 1 303.494 2.527 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423274578 296399671 /nfs/dbraw/zinc/39/96/71/296399671.db2.gz MBSLVPSXSONVDI-NBYUQASBSA-N 2 1 315.505 2.875 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423274578 296399673 /nfs/dbraw/zinc/39/96/73/296399673.db2.gz MBSLVPSXSONVDI-NBYUQASBSA-N 3 1 315.505 2.875 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423274578 296399675 /nfs/dbraw/zinc/39/96/75/296399675.db2.gz MBSLVPSXSONVDI-NBYUQASBSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423277457 296399964 /nfs/dbraw/zinc/39/99/64/296399964.db2.gz OCUMQFLIRHNWRP-MLGOLLRUSA-N 2 1 304.438 2.604 20 0 DFADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423288798 296401232 /nfs/dbraw/zinc/40/12/32/296401232.db2.gz VDDCCSXYJDYBPD-GFCCVEGCSA-N 2 1 301.203 2.902 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000156159366 197090662 /nfs/dbraw/zinc/09/06/62/197090662.db2.gz SAUKSCYLXPYVBL-HUUCEWRRSA-N 2 1 300.450 2.815 20 0 DFADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)c(Br)c1 ZINC000423323860 296404578 /nfs/dbraw/zinc/40/45/78/296404578.db2.gz PAGKIKYUXSKHFT-SDBXPKJASA-N 2 1 301.203 2.976 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1NC(C)=O ZINC000423341029 296406237 /nfs/dbraw/zinc/40/62/37/296406237.db2.gz WJPAXOMHGMXAND-ACJLOTCBSA-N 2 1 319.449 2.694 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@H]1C ZINC000347877106 285221072 /nfs/dbraw/zinc/22/10/72/285221072.db2.gz ZGBMQQHAYOBTCR-HIFRSBDPSA-N 2 1 322.449 2.714 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@H]1C ZINC000347877106 285221077 /nfs/dbraw/zinc/22/10/77/285221077.db2.gz ZGBMQQHAYOBTCR-HIFRSBDPSA-N 2 1 322.449 2.714 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@H]1C ZINC000347877106 285221083 /nfs/dbraw/zinc/22/10/83/285221083.db2.gz ZGBMQQHAYOBTCR-HIFRSBDPSA-N 2 1 322.449 2.714 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@H]1C ZINC000347877106 285221089 /nfs/dbraw/zinc/22/10/89/285221089.db2.gz ZGBMQQHAYOBTCR-HIFRSBDPSA-N 2 1 322.449 2.714 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423349678 296407310 /nfs/dbraw/zinc/40/73/10/296407310.db2.gz WDOFYWGSOWVFKW-RISCZKNCSA-N 2 1 302.340 2.592 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000155192960 197030946 /nfs/dbraw/zinc/03/09/46/197030946.db2.gz ICFKLQWHVYHGIG-GDBMZVCRSA-N 2 1 306.450 2.709 20 0 DFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc2ccccc2o1 ZINC000155120784 197024356 /nfs/dbraw/zinc/02/43/56/197024356.db2.gz WOOJREXWUWKEOS-HUUCEWRRSA-N 2 1 301.434 2.719 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000624224385 399603902 /nfs/dbraw/zinc/60/39/02/399603902.db2.gz UHSMUZIFPFYDKS-XBYSNUDESA-N 2 1 312.457 2.664 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000624224385 399603905 /nfs/dbraw/zinc/60/39/05/399603905.db2.gz UHSMUZIFPFYDKS-XBYSNUDESA-N 2 1 312.457 2.664 20 0 DFADMP OC(C[NH+]1CCC[C@H](C2CC2)C1)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344052860 285231830 /nfs/dbraw/zinc/23/18/30/285231830.db2.gz INCLPPQNQYUYRX-ROUUACIJSA-N 2 1 306.494 2.591 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC[NH2+]1 ZINC000423390505 296411797 /nfs/dbraw/zinc/41/17/97/296411797.db2.gz WFALQXGTOKQPJM-RKVPGOIHSA-N 2 1 310.445 2.980 20 0 DFADMP CN(C)c1cc(NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc[nH+]1 ZINC000423444244 296417387 /nfs/dbraw/zinc/41/73/87/296417387.db2.gz WOHGYYJEPMLNOH-INIZCTEOSA-N 2 1 312.417 2.812 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CCCCC(=O)OC(C)(C)C)C2)CC1 ZINC000602878954 399613478 /nfs/dbraw/zinc/61/34/78/399613478.db2.gz WBXUTEOSVJXSSA-UHFFFAOYSA-N 2 1 310.482 2.916 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000423480039 296420477 /nfs/dbraw/zinc/42/04/77/296420477.db2.gz OPQNHSBYGYRLER-NUEKZKHPSA-N 2 1 309.404 2.942 20 0 DFADMP OC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CCCC1 ZINC000290083827 285270157 /nfs/dbraw/zinc/27/01/57/285270157.db2.gz GYGDDLSKJGXVBA-LJQANCHMSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1OC(F)F ZINC000120659305 195211056 /nfs/dbraw/zinc/21/10/56/195211056.db2.gz PJYKKHIAAQCCTK-ZDUSSCGKSA-N 2 1 314.376 2.680 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC(F)F ZINC000120659305 195211058 /nfs/dbraw/zinc/21/10/58/195211058.db2.gz PJYKKHIAAQCCTK-ZDUSSCGKSA-N 2 1 314.376 2.680 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC(F)F ZINC000120659305 195211060 /nfs/dbraw/zinc/21/10/60/195211060.db2.gz PJYKKHIAAQCCTK-ZDUSSCGKSA-N 2 1 314.376 2.680 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000120894023 195259112 /nfs/dbraw/zinc/25/91/12/195259112.db2.gz DEVSQMMCTJLPRN-UHFFFAOYSA-N 2 1 320.481 2.689 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nc(CC)cc(=O)[nH]2)CC1 ZINC000120894023 195259115 /nfs/dbraw/zinc/25/91/15/195259115.db2.gz DEVSQMMCTJLPRN-UHFFFAOYSA-N 2 1 320.481 2.689 20 0 DFADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CCC1CCCCCC1 ZINC000348006001 285294406 /nfs/dbraw/zinc/29/44/06/285294406.db2.gz OBVSEJOWKXIZHZ-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CCC1CCCCCC1 ZINC000348006001 285294411 /nfs/dbraw/zinc/29/44/11/285294411.db2.gz OBVSEJOWKXIZHZ-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000289519046 221034569 /nfs/dbraw/zinc/03/45/69/221034569.db2.gz FWKYZDPXKFHGMU-VQIMIIECSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000289519046 221034572 /nfs/dbraw/zinc/03/45/72/221034572.db2.gz FWKYZDPXKFHGMU-VQIMIIECSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000289519046 221034575 /nfs/dbraw/zinc/03/45/75/221034575.db2.gz FWKYZDPXKFHGMU-VQIMIIECSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000289519046 221034578 /nfs/dbraw/zinc/03/45/78/221034578.db2.gz FWKYZDPXKFHGMU-VQIMIIECSA-N 2 1 320.477 2.764 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C(=O)NC)cc1 ZINC000289538098 221051936 /nfs/dbraw/zinc/05/19/36/221051936.db2.gz WOTSTSGIRMVINM-UHFFFAOYSA-N 2 1 305.466 2.600 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C(=O)NC)cc1 ZINC000289538098 221051938 /nfs/dbraw/zinc/05/19/38/221051938.db2.gz WOTSTSGIRMVINM-UHFFFAOYSA-N 2 1 305.466 2.600 20 0 DFADMP CC[N@@H+](Cc1c(C)cnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289569770 221075123 /nfs/dbraw/zinc/07/51/23/221075123.db2.gz ZPENFBAYJFPJDV-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348039494 285311202 /nfs/dbraw/zinc/31/12/02/285311202.db2.gz MEOMMUGRVZMOIV-WDYCEAGBSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513510 399630918 /nfs/dbraw/zinc/63/09/18/399630918.db2.gz LFIZWEGPLYRZTP-NEPJUHHUSA-N 2 1 318.387 2.839 20 0 DFADMP [NH3+]C1(C[NH2+][C@H]2CCSc3c(Cl)cccc32)CCOCC1 ZINC000629521058 399634304 /nfs/dbraw/zinc/63/43/04/399634304.db2.gz KXKBOLIDPZSQIE-ZDUSSCGKSA-N 2 1 312.866 2.974 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)C[C@@H]12 ZINC000629520216 399633929 /nfs/dbraw/zinc/63/39/29/399633929.db2.gz UOZDJZWDIWJSLR-SGIREYDYSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)C[C@@H]12 ZINC000629520216 399633930 /nfs/dbraw/zinc/63/39/30/399633930.db2.gz UOZDJZWDIWJSLR-SGIREYDYSA-N 2 1 301.365 2.650 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1O ZINC000289827644 221251775 /nfs/dbraw/zinc/25/17/75/221251775.db2.gz QBUBHLBSHWJGNX-OLZOCXBDSA-N 2 1 303.406 2.893 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289951602 221337924 /nfs/dbraw/zinc/33/79/24/221337924.db2.gz WOMCLDNRKBNZGY-VXGBXAGGSA-N 2 1 312.255 2.837 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629542898 399641451 /nfs/dbraw/zinc/64/14/51/399641451.db2.gz OPQVZAHRVPJKLB-HGTKMLMNSA-N 2 1 306.450 2.926 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(OCc2ccccc2)cc1 ZINC000629577914 399653503 /nfs/dbraw/zinc/65/35/03/399653503.db2.gz FJXXRKUJEKKVSB-UHFFFAOYSA-N 2 1 314.429 2.673 20 0 DFADMP CC[C@H](c1ccc(Br)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629577443 399654231 /nfs/dbraw/zinc/65/42/31/399654231.db2.gz IAQMRMXOTJPSBO-CQSZACIVSA-N 2 1 315.255 2.807 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629603533 399660937 /nfs/dbraw/zinc/66/09/37/399660937.db2.gz LZZJZOKDOPTYMA-FCGDIQPGSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629603533 399660940 /nfs/dbraw/zinc/66/09/40/399660940.db2.gz LZZJZOKDOPTYMA-FCGDIQPGSA-N 2 1 302.462 2.505 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000629546048 399643492 /nfs/dbraw/zinc/64/34/92/399643492.db2.gz OAXVAQADTYUXQX-KYOSRNDESA-N 2 1 311.832 2.788 20 0 DFADMP COC(=O)[C@@H]1CCCCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000612402194 399643703 /nfs/dbraw/zinc/64/37/03/399643703.db2.gz NSTJMQAKHUFXAK-HNNXBMFYSA-N 2 1 319.430 2.851 20 0 DFADMP COC(=O)[C@@H]1CCCCCN1Cc1cc(-n2ccnc2)cs1 ZINC000612402194 399643708 /nfs/dbraw/zinc/64/37/08/399643708.db2.gz NSTJMQAKHUFXAK-HNNXBMFYSA-N 2 1 319.430 2.851 20 0 DFADMP C[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccc2ccccc2c1 ZINC000629548659 399643730 /nfs/dbraw/zinc/64/37/30/399643730.db2.gz RBUXGXDJKGDPOW-KUHUBIRLSA-N 2 1 321.428 2.817 20 0 DFADMP Cc1ccc(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629657022 399678844 /nfs/dbraw/zinc/67/88/44/399678844.db2.gz SSPABLJGQUCXHC-CABCVRRESA-N 3 1 315.383 2.782 20 0 DFADMP Cc1ccc(CCCN2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629657022 399678852 /nfs/dbraw/zinc/67/88/52/399678852.db2.gz SSPABLJGQUCXHC-CABCVRRESA-N 3 1 315.383 2.782 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(F)c(Cl)c1Cl ZINC000629653256 399676170 /nfs/dbraw/zinc/67/61/70/399676170.db2.gz JSFBTVBUEZWOPK-UHFFFAOYSA-N 2 1 309.212 2.800 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)c(Cl)c1Cl ZINC000629653256 399676175 /nfs/dbraw/zinc/67/61/75/399676175.db2.gz JSFBTVBUEZWOPK-UHFFFAOYSA-N 2 1 309.212 2.800 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cc(F)ccc2CO)cc1 ZINC000629731827 399706436 /nfs/dbraw/zinc/70/64/36/399706436.db2.gz GXEQCDFDEJYEBJ-GOSISDBHSA-N 2 1 314.404 2.908 20 0 DFADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2cc(F)ccc2CO)cc1 ZINC000629731827 399706442 /nfs/dbraw/zinc/70/64/42/399706442.db2.gz GXEQCDFDEJYEBJ-GOSISDBHSA-N 2 1 314.404 2.908 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169661 542534861 /nfs/dbraw/zinc/53/48/61/542534861.db2.gz YKFKUZWDBGPYMZ-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169661 542534865 /nfs/dbraw/zinc/53/48/65/542534865.db2.gz YKFKUZWDBGPYMZ-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169661 542534869 /nfs/dbraw/zinc/53/48/69/542534869.db2.gz YKFKUZWDBGPYMZ-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169661 542534875 /nfs/dbraw/zinc/53/48/75/542534875.db2.gz YKFKUZWDBGPYMZ-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169661 542534881 /nfs/dbraw/zinc/53/48/81/542534881.db2.gz YKFKUZWDBGPYMZ-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP CCOC[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093418938 542554009 /nfs/dbraw/zinc/55/40/09/542554009.db2.gz QIVZKJHHSDTIQU-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)S1 ZINC000092540359 542548401 /nfs/dbraw/zinc/54/84/01/542548401.db2.gz BZJNHOUJARCTCW-GASCZTMLSA-N 2 1 308.491 2.953 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000295039839 224397359 /nfs/dbraw/zinc/39/73/59/224397359.db2.gz MNVXLULSBYGWQB-JAZQRGJZSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C2CC2)cc1 ZINC000617502090 399719049 /nfs/dbraw/zinc/71/90/49/399719049.db2.gz BRUVUWZQXCBEDS-HNNXBMFYSA-N 2 1 317.477 2.566 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1ccc(C2CC2)cc1 ZINC000617502090 399719052 /nfs/dbraw/zinc/71/90/52/399719052.db2.gz BRUVUWZQXCBEDS-HNNXBMFYSA-N 2 1 317.477 2.566 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182792128 285337888 /nfs/dbraw/zinc/33/78/88/285337888.db2.gz NLFRKBZUGZCLMC-YTQUADARSA-N 2 1 300.446 2.595 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000617506795 399720845 /nfs/dbraw/zinc/72/08/45/399720845.db2.gz ZFAIWVIQHWMSJJ-JKSUJKDBSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC(C)(C)C1 ZINC000617506795 399720847 /nfs/dbraw/zinc/72/08/47/399720847.db2.gz ZFAIWVIQHWMSJJ-JKSUJKDBSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348100146 285348905 /nfs/dbraw/zinc/34/89/05/285348905.db2.gz DZZTUFPSEBXUKG-RFGFWPKPSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348100146 285348906 /nfs/dbraw/zinc/34/89/06/285348906.db2.gz DZZTUFPSEBXUKG-RFGFWPKPSA-N 2 1 308.388 2.806 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348104124 285351807 /nfs/dbraw/zinc/35/18/07/285351807.db2.gz CSEMIUUNFXWFMU-QWHCGFSZSA-N 2 1 305.344 2.671 20 0 DFADMP Cc1cc(F)ccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121124432 195296499 /nfs/dbraw/zinc/29/64/99/195296499.db2.gz YKAGVFOAQJTDQO-HNNXBMFYSA-N 2 1 308.441 2.659 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000121812252 195353253 /nfs/dbraw/zinc/35/32/53/195353253.db2.gz LDRKAWQEKBABQI-OAHLLOKOSA-N 2 1 322.522 2.742 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121629093 195319212 /nfs/dbraw/zinc/31/92/12/195319212.db2.gz JQHLHXCSXUHMSN-UHFFFAOYSA-N 2 1 317.477 2.906 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000123351153 195571420 /nfs/dbraw/zinc/57/14/20/195571420.db2.gz DKNZJXHDUJTYOK-UHFFFAOYSA-N 2 1 318.421 2.883 20 0 DFADMP CCCCNC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062360 399741273 /nfs/dbraw/zinc/74/12/73/399741273.db2.gz PSKBQOBAXNBCCD-INIZCTEOSA-N 2 1 319.493 2.875 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)N(C)C(C)C ZINC000626062300 399741673 /nfs/dbraw/zinc/74/16/73/399741673.db2.gz OFLUYWUKZSOKJB-MRXNPFEDSA-N 2 1 319.493 2.825 20 0 DFADMP CC[N@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061896 399741223 /nfs/dbraw/zinc/74/12/23/399741223.db2.gz YMHFLAHBMFGUJO-INIZCTEOSA-N 2 1 319.493 2.731 20 0 DFADMP CC[N@@H+](CC(=O)N[C@@H](C)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061896 399741226 /nfs/dbraw/zinc/74/12/26/399741226.db2.gz YMHFLAHBMFGUJO-INIZCTEOSA-N 2 1 319.493 2.731 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1 ZINC000121293797 542583624 /nfs/dbraw/zinc/58/36/24/542583624.db2.gz YIWHJVFKXGHARE-GOSISDBHSA-N 2 1 323.431 2.569 20 0 DFADMP CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCC1 ZINC000449123549 297409003 /nfs/dbraw/zinc/40/90/03/297409003.db2.gz NODZROFGAYPWNY-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCc2ccsc2C1 ZINC000132832018 542644035 /nfs/dbraw/zinc/64/40/35/542644035.db2.gz DTUACACDMNYNDR-QGZVFWFLSA-N 2 1 316.470 2.599 20 0 DFADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCc2ccsc2C1 ZINC000132832018 542644041 /nfs/dbraw/zinc/64/40/41/542644041.db2.gz DTUACACDMNYNDR-QGZVFWFLSA-N 2 1 316.470 2.599 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348307039 285484284 /nfs/dbraw/zinc/48/42/84/285484284.db2.gz PZCMJPQESLBOKH-HZSPNIEDSA-N 2 1 308.388 2.950 20 0 DFADMP CCc1noc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366646552 131266058 /nfs/dbraw/zinc/26/60/58/131266058.db2.gz WLADVDOYJDAQLB-KBXCAEBGSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1noc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366646552 131266060 /nfs/dbraw/zinc/26/60/60/131266060.db2.gz WLADVDOYJDAQLB-KBXCAEBGSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366646552 131266061 /nfs/dbraw/zinc/26/60/61/131266061.db2.gz WLADVDOYJDAQLB-KBXCAEBGSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1noc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366646552 131266064 /nfs/dbraw/zinc/26/60/64/131266064.db2.gz WLADVDOYJDAQLB-KBXCAEBGSA-N 2 1 303.450 2.994 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000168642120 542754507 /nfs/dbraw/zinc/75/45/07/542754507.db2.gz XLUIWAIIMIGRHL-HNNXBMFYSA-N 2 1 317.477 2.776 20 0 DFADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180426203 542784320 /nfs/dbraw/zinc/78/43/20/542784320.db2.gz UFOWLARRHSKYIA-MAUKXSAKSA-N 2 1 312.461 2.933 20 0 DFADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000180426203 542784321 /nfs/dbraw/zinc/78/43/21/542784321.db2.gz UFOWLARRHSKYIA-MAUKXSAKSA-N 2 1 312.461 2.933 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC(CC)([NH+]3CCCC3)CC2)CC[N@H+]1C ZINC000630080448 399807995 /nfs/dbraw/zinc/80/79/95/399807995.db2.gz XYZPHDAIVJDCKT-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236695394 542896394 /nfs/dbraw/zinc/89/63/94/542896394.db2.gz FLEVQMCMKULAAS-ROUUACIJSA-N 2 1 317.477 2.531 20 0 DFADMP O[C@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000263119648 542955030 /nfs/dbraw/zinc/95/50/30/542955030.db2.gz AUBNEQIMGXGKNK-QAPCUYQASA-N 2 1 314.454 2.508 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000252801780 542948247 /nfs/dbraw/zinc/94/82/47/542948247.db2.gz MQDGEYLZLXUSOH-IXDOHACOSA-N 2 1 305.466 2.879 20 0 DFADMP FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000261638423 542952749 /nfs/dbraw/zinc/95/27/49/542952749.db2.gz AAJXCUDCGFLBAH-RYUDHWBXSA-N 2 1 316.371 2.608 20 0 DFADMP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617925487 399834927 /nfs/dbraw/zinc/83/49/27/399834927.db2.gz MOTMQADZLFTKCM-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](CC)C1 ZINC000617925487 399834931 /nfs/dbraw/zinc/83/49/31/399834931.db2.gz MOTMQADZLFTKCM-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](CC)C1 ZINC000617925487 399834934 /nfs/dbraw/zinc/83/49/34/399834934.db2.gz MOTMQADZLFTKCM-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](CC)C1 ZINC000617924918 399835080 /nfs/dbraw/zinc/83/50/80/399835080.db2.gz BBVBETHKZGMTSO-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000273099606 542970065 /nfs/dbraw/zinc/97/00/65/542970065.db2.gz OGQMBFLARVZEID-HNAYVOBHSA-N 2 1 323.444 2.940 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000275593287 542975406 /nfs/dbraw/zinc/97/54/06/542975406.db2.gz FTVCGEAMQLNNQK-MSOLQXFVSA-N 2 1 317.477 2.917 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000280254277 542987515 /nfs/dbraw/zinc/98/75/15/542987515.db2.gz WUWVEYCSSAMKKN-MRXNPFEDSA-N 2 1 304.434 2.765 20 0 DFADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ncc[nH]2)cc1 ZINC000285470469 542998422 /nfs/dbraw/zinc/99/84/22/542998422.db2.gz ASPHGIMPBPLRRA-OAHLLOKOSA-N 2 1 316.449 2.981 20 0 DFADMP CC(C)(C)CNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000625080276 399841163 /nfs/dbraw/zinc/84/11/63/399841163.db2.gz AVKLAPQEHOAIHX-UHFFFAOYSA-N 2 1 323.525 2.737 20 0 DFADMP C[NH+](C)CC1CC[NH+](CC(=O)c2c[nH]c3ccc(F)cc23)CC1 ZINC000625085998 399843496 /nfs/dbraw/zinc/84/34/96/399843496.db2.gz FJVJHUKFHRZFDA-UHFFFAOYSA-N 2 1 317.408 2.763 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000338195241 543135149 /nfs/dbraw/zinc/13/51/49/543135149.db2.gz MFKCAAFZUMESKZ-SJLPKXTDSA-N 2 1 310.445 2.867 20 0 DFADMP C[NH+](C)Cc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000339067238 543140481 /nfs/dbraw/zinc/14/04/81/543140481.db2.gz FNXASUJODUITMB-SJORKVTESA-N 2 1 305.441 2.604 20 0 DFADMP C[NH+](C)Cc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1F ZINC000339067236 543140599 /nfs/dbraw/zinc/14/05/99/543140599.db2.gz FNXASUJODUITMB-IRXDYDNUSA-N 2 1 305.441 2.604 20 0 DFADMP C[C@@H](CCC(C)(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000342704361 543163483 /nfs/dbraw/zinc/16/34/83/543163483.db2.gz XXVFXCAAJUDSGJ-HNNXBMFYSA-N 2 1 311.514 2.734 20 0 DFADMP CCCC[C@H](C)[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000343530349 543167698 /nfs/dbraw/zinc/16/76/98/543167698.db2.gz NMVUSXXONYNNGV-HOTGVXAUSA-N 2 1 311.514 2.734 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N[C@H](C)c2ccccc2)C[C@@H]1C ZINC000625215018 399862003 /nfs/dbraw/zinc/86/20/03/399862003.db2.gz YHFZEUNBGWPRGE-LZLYRXPVSA-N 2 1 317.477 2.668 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CC1 ZINC000348386954 543185467 /nfs/dbraw/zinc/18/54/67/543185467.db2.gz XSDSOVRKKQPZPV-XUVXKRRUSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ncc[nH]1 ZINC000353504118 543235732 /nfs/dbraw/zinc/23/57/32/543235732.db2.gz QDHPXGIAADLVQJ-CQSZACIVSA-N 2 1 302.422 2.591 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353681116 543237796 /nfs/dbraw/zinc/23/77/96/543237796.db2.gz ADVFDIHXRAXFLE-VNTMZGSJSA-N 2 1 316.489 2.690 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000353928027 146833159 /nfs/dbraw/zinc/83/31/59/146833159.db2.gz LBFJMAYLHUPXBV-IYBDPMFKSA-N 2 1 312.498 2.923 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000358613873 543268401 /nfs/dbraw/zinc/26/84/01/543268401.db2.gz HGAJYTRBZRFHTF-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000380907737 543297305 /nfs/dbraw/zinc/29/73/05/543297305.db2.gz IDWQLYDOQNFQMC-SJLPKXTDSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000380907737 543297309 /nfs/dbraw/zinc/29/73/09/543297309.db2.gz IDWQLYDOQNFQMC-SJLPKXTDSA-N 2 1 312.461 2.983 20 0 DFADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1Br ZINC000401723903 543312334 /nfs/dbraw/zinc/31/23/34/543312334.db2.gz BZDQZEABIALRBU-UHFFFAOYSA-N 2 1 308.223 2.823 20 0 DFADMP Cc1ccccc1-c1noc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000387454715 543302225 /nfs/dbraw/zinc/30/22/25/543302225.db2.gz QYGHERJXZWWUSK-UHFFFAOYSA-N 2 1 300.406 2.606 20 0 DFADMP CC(C)[C@H](O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000165394157 145228923 /nfs/dbraw/zinc/22/89/23/145228923.db2.gz BNDAJEDHJZBUCF-LJQANCHMSA-N 2 1 304.478 2.690 20 0 DFADMP [NH3+]CCCCCCC(=O)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000168525336 145244605 /nfs/dbraw/zinc/24/46/05/145244605.db2.gz VWURPACSOHMDHW-INIZCTEOSA-N 2 1 309.498 2.809 20 0 DFADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000172247730 145297214 /nfs/dbraw/zinc/29/72/14/145297214.db2.gz BIKUXFKUBMFNJH-INIZCTEOSA-N 2 1 304.478 2.774 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000425363714 296573575 /nfs/dbraw/zinc/57/35/75/296573575.db2.gz XSYASJVIPKAKFU-DLBZAZTESA-N 2 1 306.475 2.502 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+]C2CCOCC2)C[C@H](C)O1 ZINC000174293733 145375056 /nfs/dbraw/zinc/37/50/56/145375056.db2.gz NDDKMROIIPWUDS-IYBDPMFKSA-N 2 1 318.461 2.564 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630513692 399897045 /nfs/dbraw/zinc/89/70/45/399897045.db2.gz FSAADFMQEKHLOJ-CJNGLKHVSA-N 2 1 309.417 2.536 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631035202 399965919 /nfs/dbraw/zinc/96/59/19/399965919.db2.gz KRNAXRCCMGMTQL-OAHLLOKOSA-N 2 1 304.482 2.653 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631035202 399965921 /nfs/dbraw/zinc/96/59/21/399965921.db2.gz KRNAXRCCMGMTQL-OAHLLOKOSA-N 2 1 304.482 2.653 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccncc1Br ZINC000631064429 399972604 /nfs/dbraw/zinc/97/26/04/399972604.db2.gz SADCJFQSROHNMQ-LLVKDONJSA-N 2 1 323.238 2.775 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)s1 ZINC000631064611 399972635 /nfs/dbraw/zinc/97/26/35/399972635.db2.gz MEUHDHFFRZSYDQ-CQSZACIVSA-N 2 1 311.495 2.542 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)s1 ZINC000631064611 399972638 /nfs/dbraw/zinc/97/26/38/399972638.db2.gz MEUHDHFFRZSYDQ-CQSZACIVSA-N 2 1 311.495 2.542 20 0 DFADMP CCC1([NH+](C)C)CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)CC1 ZINC000631495981 400044332 /nfs/dbraw/zinc/04/43/32/400044332.db2.gz SZBMZRJQYFDLFC-UHFFFAOYSA-N 2 1 301.438 2.885 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccncc2Br)C1 ZINC000631157664 399992205 /nfs/dbraw/zinc/99/22/05/399992205.db2.gz DNHIHJRLDSAUMC-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000628184019 399997642 /nfs/dbraw/zinc/99/76/42/399997642.db2.gz XFCCYSABRHLENT-QZTJIDSGSA-N 2 1 302.462 2.753 20 0 DFADMP CCn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631196587 400001557 /nfs/dbraw/zinc/00/15/57/400001557.db2.gz SOZFLLGUGDTQSR-VQIMIIECSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631196587 400001558 /nfs/dbraw/zinc/00/15/58/400001558.db2.gz SOZFLLGUGDTQSR-VQIMIIECSA-N 2 1 312.461 2.761 20 0 DFADMP CCC[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000631199720 400002071 /nfs/dbraw/zinc/00/20/71/400002071.db2.gz QZDKGDNWUSADEN-SFHVURJKSA-N 2 1 304.478 2.834 20 0 DFADMP Cc1ccc([C@@H](C)C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000628214425 400002833 /nfs/dbraw/zinc/00/28/33/400002833.db2.gz WZXYAONOLQXKJY-SFHVURJKSA-N 2 1 317.521 2.962 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000628425431 400031518 /nfs/dbraw/zinc/03/15/18/400031518.db2.gz KNZCVRLGJPVLEY-QGZVFWFLSA-N 2 1 302.462 2.876 20 0 DFADMP C[N@H+]1CCCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000628748934 400052481 /nfs/dbraw/zinc/05/24/81/400052481.db2.gz ZKMMGIYIEGNUOA-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000628748934 400052484 /nfs/dbraw/zinc/05/24/84/400052484.db2.gz ZKMMGIYIEGNUOA-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000628748934 400052485 /nfs/dbraw/zinc/05/24/85/400052485.db2.gz ZKMMGIYIEGNUOA-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631661717 400063422 /nfs/dbraw/zinc/06/34/22/400063422.db2.gz BWGPIIKVZWELRF-LMMKCTJWSA-N 2 1 324.472 2.765 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663343 400063834 /nfs/dbraw/zinc/06/38/34/400063834.db2.gz IOHFEHWIGLHPPR-SCTDSRPQSA-N 2 1 312.461 2.629 20 0 DFADMP C[C@H](CCCCO)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631664310 400063943 /nfs/dbraw/zinc/06/39/43/400063943.db2.gz NPSKFOOJONCONB-LMMKCTJWSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCCOCC1 ZINC000631665765 400064146 /nfs/dbraw/zinc/06/41/46/400064146.db2.gz XQTMSZSQPQTOHT-NEWSRXKRSA-N 2 1 302.462 2.913 20 0 DFADMP CC[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667164 400064437 /nfs/dbraw/zinc/06/44/37/400064437.db2.gz LQBNNVGIFBKRPB-MJGOQNOKSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667164 400064438 /nfs/dbraw/zinc/06/44/38/400064438.db2.gz LQBNNVGIFBKRPB-MJGOQNOKSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667164 400064439 /nfs/dbraw/zinc/06/44/39/400064439.db2.gz LQBNNVGIFBKRPB-MJGOQNOKSA-N 3 1 315.505 2.828 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631754509 400072508 /nfs/dbraw/zinc/07/25/08/400072508.db2.gz JPULCJVKSKIPGX-RFQIPJPRSA-N 2 1 308.388 2.664 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631754509 400072510 /nfs/dbraw/zinc/07/25/10/400072510.db2.gz JPULCJVKSKIPGX-RFQIPJPRSA-N 2 1 308.388 2.664 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC[C@H]1C(F)(F)F ZINC000631830109 400078246 /nfs/dbraw/zinc/07/82/46/400078246.db2.gz KDOMFJATXNUPGQ-GMTAPVOTSA-N 2 1 300.315 2.881 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631840041 400078870 /nfs/dbraw/zinc/07/88/70/400078870.db2.gz OVDPKKSGQUZIOI-DGCLKSJQSA-N 2 1 302.340 2.654 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631839827 400078879 /nfs/dbraw/zinc/07/88/79/400078879.db2.gz LKCSOFUDYNYBNN-YPMHNXCESA-N 2 1 302.340 2.654 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191466595 145892479 /nfs/dbraw/zinc/89/24/79/145892479.db2.gz QFEJUXUCNTYKHK-IRXDYDNUSA-N 2 1 311.514 2.735 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236842230 146030079 /nfs/dbraw/zinc/03/00/79/146030079.db2.gz GZWJBWKTOMLKCS-HRCADAONSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237465671 146044439 /nfs/dbraw/zinc/04/44/39/146044439.db2.gz MSJCBFGLZRXRNE-WBVHZDCISA-N 2 1 317.477 2.625 20 0 DFADMP [NH3+][C@H](C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)c1ccccc1 ZINC000238002778 146057577 /nfs/dbraw/zinc/05/75/77/146057577.db2.gz OMWGBLFZGNYVNB-ROUUACIJSA-N 2 1 315.461 2.553 20 0 DFADMP CCO[C@@H]1COC[C@H]1[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449719023 543362748 /nfs/dbraw/zinc/36/27/48/543362748.db2.gz GSFJVDQTXWLCMY-MORSLUCNSA-N 2 1 315.417 2.635 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCOC2=O)C1 ZINC000247086050 146160919 /nfs/dbraw/zinc/16/09/19/146160919.db2.gz XXTAFRHODJOUDF-ZACQAIPSSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCOC2=O)C1 ZINC000247086050 146160923 /nfs/dbraw/zinc/16/09/23/146160923.db2.gz XXTAFRHODJOUDF-ZACQAIPSSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000247086050 146160926 /nfs/dbraw/zinc/16/09/26/146160926.db2.gz XXTAFRHODJOUDF-ZACQAIPSSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000247086050 146160930 /nfs/dbraw/zinc/16/09/30/146160930.db2.gz XXTAFRHODJOUDF-ZACQAIPSSA-N 2 1 308.466 2.526 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(OC)c2)[C@@H](C)C1 ZINC000247104362 146161392 /nfs/dbraw/zinc/16/13/92/146161392.db2.gz OUZXXSNKXXTTBD-MPGHIAIKSA-N 2 1 306.450 2.782 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000247146964 146163444 /nfs/dbraw/zinc/16/34/44/146163444.db2.gz SQUOATIARKSAQX-ZMSDIMECSA-N 2 1 320.477 2.955 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247374229 146167859 /nfs/dbraw/zinc/16/78/59/146167859.db2.gz VAYDGHIINLCEJS-LSDHHAIUSA-N 2 1 308.441 2.911 20 0 DFADMP OCC1([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000248997928 146181670 /nfs/dbraw/zinc/18/16/70/146181670.db2.gz PQVAMKDVJSBICS-BCDXTJNWSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249003960 146182546 /nfs/dbraw/zinc/18/25/46/146182546.db2.gz NNLAYFFXDGKXME-HNAYVOBHSA-N 2 1 302.462 2.922 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453208200 543371396 /nfs/dbraw/zinc/37/13/96/543371396.db2.gz AQWKTCSZNLWYAU-VAMGGRTRSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453208200 543371397 /nfs/dbraw/zinc/37/13/97/543371397.db2.gz AQWKTCSZNLWYAU-VAMGGRTRSA-N 2 1 324.472 2.953 20 0 DFADMP C[C@H](O)[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000249615393 146202351 /nfs/dbraw/zinc/20/23/51/146202351.db2.gz OXGFUDFMGQIQAQ-UKBAYJJMSA-N 2 1 304.478 2.689 20 0 DFADMP C[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249764200 146205443 /nfs/dbraw/zinc/20/54/43/146205443.db2.gz YGZBOKXTWWVPAX-OWCLPIDISA-N 2 1 309.498 2.628 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)CC2)cc1 ZINC000249789722 146207002 /nfs/dbraw/zinc/20/70/02/146207002.db2.gz DZYCEMLMELLKOR-OTWHNJEPSA-N 2 1 300.446 2.808 20 0 DFADMP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000250095561 146209681 /nfs/dbraw/zinc/20/96/81/146209681.db2.gz QSOUVRMGXCVXPX-GUDVDZBRSA-N 2 1 314.473 2.649 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000252695960 146222919 /nfs/dbraw/zinc/22/29/19/146222919.db2.gz AZPRWTRAZHBWOO-RWQQGDIJSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000252695960 146222922 /nfs/dbraw/zinc/22/29/22/146222922.db2.gz AZPRWTRAZHBWOO-RWQQGDIJSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000252695960 146222924 /nfs/dbraw/zinc/22/29/24/146222924.db2.gz AZPRWTRAZHBWOO-RWQQGDIJSA-N 2 1 301.478 2.722 20 0 DFADMP C[N@@H+](CCc1ccc(Br)cc1)C[C@H]1CCC[NH2+]C1 ZINC000258891447 146236708 /nfs/dbraw/zinc/23/67/08/146236708.db2.gz CQFCVDMOORJGEG-AWEZNQCLSA-N 2 1 311.267 2.923 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539714 146237614 /nfs/dbraw/zinc/23/76/14/146237614.db2.gz DBBOAPHHHQZRQC-BJMVHTGZSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261539714 146237617 /nfs/dbraw/zinc/23/76/17/146237617.db2.gz DBBOAPHHHQZRQC-BJMVHTGZSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532487 146238030 /nfs/dbraw/zinc/23/80/30/146238030.db2.gz AJILRXROTUFREI-DSLXNQLJSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532487 146238033 /nfs/dbraw/zinc/23/80/33/146238033.db2.gz AJILRXROTUFREI-DSLXNQLJSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532487 146238035 /nfs/dbraw/zinc/23/80/35/146238035.db2.gz AJILRXROTUFREI-DSLXNQLJSA-N 3 1 301.478 2.757 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)cs3)C[C@@H]12 ZINC000261577039 146242219 /nfs/dbraw/zinc/24/22/19/146242219.db2.gz KUWXTELTBSUVDM-XXILOJSOSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)cs3)C[C@@H]12 ZINC000261577039 146242222 /nfs/dbraw/zinc/24/22/22/146242222.db2.gz KUWXTELTBSUVDM-XXILOJSOSA-N 2 1 301.253 2.680 20 0 DFADMP CCn1ccnc1C[N@@H+](C[C@@H]1C[C@H]1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261644291 146252136 /nfs/dbraw/zinc/25/21/36/146252136.db2.gz AMEADSGZZBMYPO-OWCLPIDISA-N 2 1 302.466 2.503 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261681167 146258697 /nfs/dbraw/zinc/25/86/97/146258697.db2.gz MMPCVZLFJPOBDI-JSGCOSHPSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261681167 146258699 /nfs/dbraw/zinc/25/86/99/146258699.db2.gz MMPCVZLFJPOBDI-JSGCOSHPSA-N 2 1 300.324 2.769 20 0 DFADMP C[C@@]1(C[N@H+](Cc2ccccc2)CC2CCOCC2)CC[NH2+]C1 ZINC000261684017 146259562 /nfs/dbraw/zinc/25/95/62/146259562.db2.gz ANGVLLPQDNYDPC-LJQANCHMSA-N 2 1 302.462 2.915 20 0 DFADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261694543 146261010 /nfs/dbraw/zinc/26/10/10/146261010.db2.gz NOKSLLPBSHIWSL-XQQFMLRXSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000261694543 146261013 /nfs/dbraw/zinc/26/10/13/146261013.db2.gz NOKSLLPBSHIWSL-XQQFMLRXSA-N 2 1 303.431 2.881 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261739970 146269974 /nfs/dbraw/zinc/26/99/74/146269974.db2.gz SBQQZESAHFZBTN-AWEZNQCLSA-N 2 1 300.324 2.771 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261739970 146269977 /nfs/dbraw/zinc/26/99/77/146269977.db2.gz SBQQZESAHFZBTN-AWEZNQCLSA-N 2 1 300.324 2.771 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261816882 146281812 /nfs/dbraw/zinc/28/18/12/146281812.db2.gz GZBZZOFBMVFKEQ-KFKAGJAMSA-N 2 1 318.461 2.913 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000261813783 146282114 /nfs/dbraw/zinc/28/21/14/146282114.db2.gz PAZREYWIPSTHFI-AWEZNQCLSA-N 2 1 302.340 2.755 20 0 DFADMP CC[NH+](CC)[C@@H](c1nc(C[C@H](C)[NH2+]C)no1)c1ccccc1 ZINC000261822416 146282997 /nfs/dbraw/zinc/28/29/97/146282997.db2.gz QONYTQNGBPSVSH-XJKSGUPXSA-N 2 1 302.422 2.651 20 0 DFADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261875933 146292901 /nfs/dbraw/zinc/29/29/01/146292901.db2.gz DRWLDPAATGEIFS-HSFUPAIVSA-N 2 1 324.509 2.574 20 0 DFADMP O=C(NC[C@@H]1CCC[N@@H+](CC2CCCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261890028 146296232 /nfs/dbraw/zinc/29/62/32/146296232.db2.gz NQKSPOBBWQZVST-ZWKOTPCHSA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261891269 146296247 /nfs/dbraw/zinc/29/62/47/146296247.db2.gz NUDITPLYOCNXPC-SZMVWBNQSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261891269 146296248 /nfs/dbraw/zinc/29/62/48/146296248.db2.gz NUDITPLYOCNXPC-SZMVWBNQSA-N 2 1 315.461 2.808 20 0 DFADMP CC[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261892527 146296597 /nfs/dbraw/zinc/29/65/97/146296597.db2.gz UEJLUGIUWXMUPT-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@]1(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261900377 146297748 /nfs/dbraw/zinc/29/77/48/146297748.db2.gz VWTOIXKRGKFHDJ-SFHVURJKSA-N 2 1 304.409 2.720 20 0 DFADMP C[C@]1(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC[NH2+]C1 ZINC000261906068 146299242 /nfs/dbraw/zinc/29/92/42/146299242.db2.gz XABVLCDKTNTJOH-SFHVURJKSA-N 2 1 322.399 2.859 20 0 DFADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000261950732 146308998 /nfs/dbraw/zinc/30/89/98/146308998.db2.gz NVRXZJKRWOZJSY-ZDUSSCGKSA-N 2 1 316.371 2.538 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnc(N)s2)C1 ZINC000261952090 146309089 /nfs/dbraw/zinc/30/90/89/146309089.db2.gz GDIGYTBPGLBQNR-UONOGXRCSA-N 2 1 308.495 2.812 20 0 DFADMP CCCOc1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000261980398 146315095 /nfs/dbraw/zinc/31/50/95/146315095.db2.gz JENXQGSYBBJNJW-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000261980398 146315096 /nfs/dbraw/zinc/31/50/96/146315096.db2.gz JENXQGSYBBJNJW-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]12 ZINC000261983438 146315126 /nfs/dbraw/zinc/31/51/26/146315126.db2.gz AOHXAPSHNRLEAI-APHBMKBZSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]12 ZINC000261983438 146315128 /nfs/dbraw/zinc/31/51/28/146315128.db2.gz AOHXAPSHNRLEAI-APHBMKBZSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]12 ZINC000261983439 146315204 /nfs/dbraw/zinc/31/52/04/146315204.db2.gz AOHXAPSHNRLEAI-DAXOMENPSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@@H]12 ZINC000261983439 146315206 /nfs/dbraw/zinc/31/52/06/146315206.db2.gz AOHXAPSHNRLEAI-DAXOMENPSA-N 2 1 301.365 2.650 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261995453 146319018 /nfs/dbraw/zinc/31/90/18/146319018.db2.gz STTQSENJTWXQEN-WMLDXEAASA-N 2 1 316.424 2.630 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261995453 146319027 /nfs/dbraw/zinc/31/90/27/146319027.db2.gz STTQSENJTWXQEN-WMLDXEAASA-N 2 1 316.424 2.630 20 0 DFADMP CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000262031548 146325134 /nfs/dbraw/zinc/32/51/34/146325134.db2.gz YWOZLIYMGUVDKQ-HNNXBMFYSA-N 2 1 303.450 2.809 20 0 DFADMP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000262073026 146331283 /nfs/dbraw/zinc/33/12/83/146331283.db2.gz CUNPOXCDTVVTIU-HKUYNNGSSA-N 2 1 318.461 2.818 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)C[C@@H]21 ZINC000262099668 146332928 /nfs/dbraw/zinc/33/29/28/146332928.db2.gz ISSDVUPJBCMQMZ-KCQAQPDRSA-N 2 1 321.852 2.728 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000262095161 146333614 /nfs/dbraw/zinc/33/36/14/146333614.db2.gz BHCGPSPJMLXYTM-SFHVURJKSA-N 2 1 309.498 2.619 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262145374 146339203 /nfs/dbraw/zinc/33/92/03/146339203.db2.gz QJNNWBKAWVZFQM-GFCCVEGCSA-N 2 1 300.805 2.919 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262170093 146339862 /nfs/dbraw/zinc/33/98/62/146339862.db2.gz VAFNBIWCDCLYRQ-QFBILLFUSA-N 2 1 318.461 2.805 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262353519 146353421 /nfs/dbraw/zinc/35/34/21/146353421.db2.gz UUMISOUNDKPJEJ-OLQSNFDLSA-N 2 1 321.509 2.519 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000262449748 146361077 /nfs/dbraw/zinc/36/10/77/146361077.db2.gz HPIWRVWBGZTBFI-CVEARBPZSA-N 2 1 306.450 2.771 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000262449750 146361613 /nfs/dbraw/zinc/36/16/13/146361613.db2.gz HPIWRVWBGZTBFI-HZPDHXFCSA-N 2 1 306.450 2.771 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC000354346328 147001633 /nfs/dbraw/zinc/00/16/33/147001633.db2.gz HLMFNMPCQUYSLZ-QRQLOZEOSA-N 2 1 320.477 2.711 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCOC[C@H]1C)c1ccccc1 ZINC000354346328 147001638 /nfs/dbraw/zinc/00/16/38/147001638.db2.gz HLMFNMPCQUYSLZ-QRQLOZEOSA-N 2 1 320.477 2.711 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000354409424 147027220 /nfs/dbraw/zinc/02/72/20/147027220.db2.gz SLFLIVVDYIUAQE-QZTJIDSGSA-N 2 1 323.525 2.878 20 0 DFADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000354421686 147030203 /nfs/dbraw/zinc/03/02/03/147030203.db2.gz RZWIWMROUYFVQJ-WMZOPIPTSA-N 2 1 312.498 2.671 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1scnc1C1CC1 ZINC000494941231 543416889 /nfs/dbraw/zinc/41/68/89/543416889.db2.gz USJWCDOBIXSGJZ-ILXRZTDVSA-N 2 1 321.490 2.704 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1scnc1C1CC1 ZINC000494941231 543416892 /nfs/dbraw/zinc/41/68/92/543416892.db2.gz USJWCDOBIXSGJZ-ILXRZTDVSA-N 2 1 321.490 2.704 20 0 DFADMP C[C@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000354849822 147175771 /nfs/dbraw/zinc/17/57/71/147175771.db2.gz MAQCTGBHWFYAID-NVXWUHKLSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H]1C[C@@H](C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)CC[NH+]1C ZINC000354886812 147189894 /nfs/dbraw/zinc/18/98/94/147189894.db2.gz QGFCHGWCLOOKEV-HOTGVXAUSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@H]1C[C@@H](C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC[NH+]1C ZINC000354886812 147189898 /nfs/dbraw/zinc/18/98/98/147189898.db2.gz QGFCHGWCLOOKEV-HOTGVXAUSA-N 2 1 321.509 2.511 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000355284041 147251845 /nfs/dbraw/zinc/25/18/45/147251845.db2.gz RBROFIBRQJZQBK-YQVWRLOYSA-N 2 1 303.494 2.969 20 0 DFADMP COCC(C)(C)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355324674 147265721 /nfs/dbraw/zinc/26/57/21/147265721.db2.gz YCNCNXWXBGUKOI-HDICACEKSA-N 2 1 302.462 2.723 20 0 DFADMP COCC(C)(C)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000355324674 147265723 /nfs/dbraw/zinc/26/57/23/147265723.db2.gz YCNCNXWXBGUKOI-HDICACEKSA-N 2 1 302.462 2.723 20 0 DFADMP COCC(C)(C)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000355324674 147265725 /nfs/dbraw/zinc/26/57/25/147265725.db2.gz YCNCNXWXBGUKOI-HDICACEKSA-N 2 1 302.462 2.723 20 0 DFADMP COc1cc2c(cc1CN(C)CC[C@@H]1CCCC[N@H+]1C)OCO2 ZINC000355386070 147294528 /nfs/dbraw/zinc/29/45/28/147294528.db2.gz PYYKMDOLEMPXEH-HNNXBMFYSA-N 2 1 320.433 2.730 20 0 DFADMP C[C@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[NH+]1CCCCCC1 ZINC000533826956 543436410 /nfs/dbraw/zinc/43/64/10/543436410.db2.gz OTCIFBHEXYYKMI-CRAIPNDOSA-N 2 1 315.461 2.554 20 0 DFADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1CCCCCC1 ZINC000533826956 543436415 /nfs/dbraw/zinc/43/64/15/543436415.db2.gz OTCIFBHEXYYKMI-CRAIPNDOSA-N 2 1 315.461 2.554 20 0 DFADMP Cc1ccc([C@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000355410017 147304710 /nfs/dbraw/zinc/30/47/10/147304710.db2.gz NSGIPTZSGGFIIN-JZXOWHBKSA-N 2 1 317.477 2.587 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@H]1Oc1ccccc1 ZINC000357460570 148001601 /nfs/dbraw/zinc/00/16/01/148001601.db2.gz QYMRODGCCSKCJM-BZZMCLGOSA-N 2 1 306.450 2.541 20 0 DFADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]2CCOC2)cc1 ZINC000357840371 148144462 /nfs/dbraw/zinc/14/44/62/148144462.db2.gz KBZGZJKJFFUGDB-MANSERQUSA-N 2 1 300.446 2.981 20 0 DFADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]2CCOC2)cc1 ZINC000357840372 148144949 /nfs/dbraw/zinc/14/49/49/148144949.db2.gz KBZGZJKJFFUGDB-MKXGPGLRSA-N 2 1 300.446 2.981 20 0 DFADMP c1cc(N2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000357846168 148146925 /nfs/dbraw/zinc/14/69/25/148146925.db2.gz CIFIIIGWDDLLCC-HKUYNNGSSA-N 3 1 314.477 2.514 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358013155 148211649 /nfs/dbraw/zinc/21/16/49/148211649.db2.gz JASNKDNSSPTCMH-BBRMVZONSA-N 2 1 323.868 2.989 20 0 DFADMP CSc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000358049460 148225819 /nfs/dbraw/zinc/22/58/19/148225819.db2.gz ODUWHMFFVUBBJS-HNNXBMFYSA-N 2 1 322.518 2.933 20 0 DFADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)s2)cc1 ZINC000358164149 148266601 /nfs/dbraw/zinc/26/66/01/148266601.db2.gz NDFYFEASQMQLLR-SFHVURJKSA-N 2 1 316.470 2.880 20 0 DFADMP Cc1ccc(-c2ccc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)s2)cc1 ZINC000358164149 148266605 /nfs/dbraw/zinc/26/66/05/148266605.db2.gz NDFYFEASQMQLLR-SFHVURJKSA-N 2 1 316.470 2.880 20 0 DFADMP COc1ccc2cc([C@H](C)[NH2+]C[C@]3(O)CC[N@H+](C)C3)ccc2c1 ZINC000358254572 148305423 /nfs/dbraw/zinc/30/54/23/148305423.db2.gz QALHMXBUTXWPDE-IFXJQAMLSA-N 2 1 314.429 2.566 20 0 DFADMP COc1ccc2cc([C@H](C)[NH2+]C[C@]3(O)CC[N@@H+](C)C3)ccc2c1 ZINC000358254572 148305427 /nfs/dbraw/zinc/30/54/27/148305427.db2.gz QALHMXBUTXWPDE-IFXJQAMLSA-N 2 1 314.429 2.566 20 0 DFADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358255933 148306198 /nfs/dbraw/zinc/30/61/98/148306198.db2.gz RBUBRDWGFXOTDL-PBHICJAKSA-N 2 1 308.491 2.904 20 0 DFADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358255933 148306204 /nfs/dbraw/zinc/30/62/04/148306204.db2.gz RBUBRDWGFXOTDL-PBHICJAKSA-N 2 1 308.491 2.904 20 0 DFADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C1 ZINC000358254428 148306643 /nfs/dbraw/zinc/30/66/43/148306643.db2.gz POIFEZXHWIXLKS-WZGPROSRSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000358254428 148306647 /nfs/dbraw/zinc/30/66/47/148306647.db2.gz POIFEZXHWIXLKS-WZGPROSRSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000358301370 148320598 /nfs/dbraw/zinc/32/05/98/148320598.db2.gz PMFUBKLXFCESSQ-HLLBOEOZSA-N 2 1 318.461 2.709 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504488 148379766 /nfs/dbraw/zinc/37/97/66/148379766.db2.gz GUKYASLAEALMIJ-CQSZACIVSA-N 2 1 319.424 2.537 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573118 148389604 /nfs/dbraw/zinc/38/96/04/148389604.db2.gz QSQPFBMBAVODFK-QBPKDAKJSA-N 2 1 324.415 2.503 20 0 DFADMP COC[C@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000359382988 148651957 /nfs/dbraw/zinc/65/19/57/148651957.db2.gz UODSNXXFHZXULP-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP CCN1CC[C@H]([NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000660006770 543524491 /nfs/dbraw/zinc/52/44/91/543524491.db2.gz UHQIBKXAWHBGRW-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000361021595 149009756 /nfs/dbraw/zinc/00/97/56/149009756.db2.gz BENSAZOIPJEOJZ-UONOGXRCSA-N 2 1 307.507 2.884 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361045714 149016592 /nfs/dbraw/zinc/01/65/92/149016592.db2.gz MEWFTURCVGAMPK-GOSISDBHSA-N 3 1 304.482 2.860 20 0 DFADMP CC1(C)C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C(C)(C)O1 ZINC000361175787 149047405 /nfs/dbraw/zinc/04/74/05/149047405.db2.gz SKRABHADQDEFDP-OAHLLOKOSA-N 2 1 310.482 2.567 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1)CC[NH+](C)C ZINC000361395519 149104723 /nfs/dbraw/zinc/10/47/23/149104723.db2.gz OTMFVEOYVHWXSD-OALUTQOASA-N 2 1 303.494 2.605 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000361460517 149122168 /nfs/dbraw/zinc/12/21/68/149122168.db2.gz YRFZZGJYEBAXEL-FFPCURRISA-N 2 1 302.462 2.610 20 0 DFADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1CO ZINC000361663888 149185403 /nfs/dbraw/zinc/18/54/03/149185403.db2.gz XWSPYRNGABHFAE-WMZOPIPTSA-N 2 1 304.478 2.705 20 0 DFADMP C[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1CO ZINC000361663888 149185405 /nfs/dbraw/zinc/18/54/05/149185405.db2.gz XWSPYRNGABHFAE-WMZOPIPTSA-N 2 1 304.478 2.705 20 0 DFADMP C[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1CO ZINC000361663888 149185406 /nfs/dbraw/zinc/18/54/06/149185406.db2.gz XWSPYRNGABHFAE-WMZOPIPTSA-N 2 1 304.478 2.705 20 0 DFADMP CCN(C(=O)Nc1cc(C)c2nccn2c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000667147442 543553698 /nfs/dbraw/zinc/55/36/98/543553698.db2.gz CDXYVCUDAIYGSH-OAHLLOKOSA-N 2 1 315.421 2.591 20 0 DFADMP CCN(C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000667147442 543553702 /nfs/dbraw/zinc/55/37/02/543553702.db2.gz CDXYVCUDAIYGSH-OAHLLOKOSA-N 2 1 315.421 2.591 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361892533 149249033 /nfs/dbraw/zinc/24/90/33/149249033.db2.gz WJFFSOHCBFYQAL-NJAFHUGGSA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361892533 149249034 /nfs/dbraw/zinc/24/90/34/149249034.db2.gz WJFFSOHCBFYQAL-NJAFHUGGSA-N 2 1 322.518 2.601 20 0 DFADMP Cc1cccc(CCC[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)c1 ZINC000350836800 286094598 /nfs/dbraw/zinc/09/45/98/286094598.db2.gz OTBDXIPEFGPWNJ-QGZVFWFLSA-N 2 1 304.478 2.705 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3)s2)CC1 ZINC000361930247 149257586 /nfs/dbraw/zinc/25/75/86/149257586.db2.gz PNIJSULSVMBXER-UHFFFAOYSA-N 2 1 316.474 2.979 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000361965639 149266115 /nfs/dbraw/zinc/26/61/15/149266115.db2.gz IAPJOIFUBGIBMV-QGZVKYPTSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000361965639 149266117 /nfs/dbraw/zinc/26/61/17/149266117.db2.gz IAPJOIFUBGIBMV-QGZVKYPTSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000361965639 149266121 /nfs/dbraw/zinc/26/61/21/149266121.db2.gz IAPJOIFUBGIBMV-QGZVKYPTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000361982526 149270400 /nfs/dbraw/zinc/27/04/00/149270400.db2.gz RAOYYSKZNWZGKE-MNEFBYGVSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000361982526 149270402 /nfs/dbraw/zinc/27/04/02/149270402.db2.gz RAOYYSKZNWZGKE-MNEFBYGVSA-N 2 1 324.472 2.767 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2cccs2)n1 ZINC000362652259 149335091 /nfs/dbraw/zinc/33/50/91/149335091.db2.gz CSNKTKIJEKKVCH-CABCVRRESA-N 2 1 316.474 2.865 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2cccs2)n1 ZINC000362652259 149335096 /nfs/dbraw/zinc/33/50/96/149335096.db2.gz CSNKTKIJEKKVCH-CABCVRRESA-N 2 1 316.474 2.865 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000426303801 296623644 /nfs/dbraw/zinc/62/36/44/296623644.db2.gz ZVSIQDMAGVFQDK-UHFFFAOYSA-N 2 1 313.445 2.503 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351340164 286122348 /nfs/dbraw/zinc/12/23/48/286122348.db2.gz OBNYHDUILQGRGY-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351340164 286122351 /nfs/dbraw/zinc/12/23/51/286122351.db2.gz OBNYHDUILQGRGY-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351340164 286122352 /nfs/dbraw/zinc/12/23/52/286122352.db2.gz OBNYHDUILQGRGY-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351340164 286122355 /nfs/dbraw/zinc/12/23/55/286122355.db2.gz OBNYHDUILQGRGY-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472610 286128622 /nfs/dbraw/zinc/12/86/22/286128622.db2.gz BEQCMENVUZJQLS-YUTCNCBUSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351472610 286128624 /nfs/dbraw/zinc/12/86/24/286128624.db2.gz BEQCMENVUZJQLS-YUTCNCBUSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351490664 286134005 /nfs/dbraw/zinc/13/40/05/286134005.db2.gz IRVAPTMMMHOHFZ-DDHJSBNISA-N 2 1 321.852 2.645 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351490664 286134007 /nfs/dbraw/zinc/13/40/07/286134007.db2.gz IRVAPTMMMHOHFZ-DDHJSBNISA-N 2 1 321.852 2.645 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC)c(OC)c1 ZINC000369445526 149784538 /nfs/dbraw/zinc/78/45/38/149784538.db2.gz WQOQBFPUDCOWPL-CABCVRRESA-N 2 1 315.417 2.956 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351522979 286142874 /nfs/dbraw/zinc/14/28/74/286142874.db2.gz ZTTSNJRQDHFHMQ-HKUYNNGSSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351522979 286142875 /nfs/dbraw/zinc/14/28/75/286142875.db2.gz ZTTSNJRQDHFHMQ-HKUYNNGSSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351522979 286142876 /nfs/dbraw/zinc/14/28/76/286142876.db2.gz ZTTSNJRQDHFHMQ-HKUYNNGSSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351522979 286142877 /nfs/dbraw/zinc/14/28/77/286142877.db2.gz ZTTSNJRQDHFHMQ-HKUYNNGSSA-N 2 1 304.478 2.703 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000351545323 286148798 /nfs/dbraw/zinc/14/87/98/286148798.db2.gz OWAINOFFQPTTNI-INIZCTEOSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000351545323 286148801 /nfs/dbraw/zinc/14/88/01/286148801.db2.gz OWAINOFFQPTTNI-INIZCTEOSA-N 2 1 310.482 2.915 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000371280290 150014731 /nfs/dbraw/zinc/01/47/31/150014731.db2.gz OQRMRMYLZWPHGL-KURKYZTESA-N 2 1 315.461 2.552 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371294531 150017829 /nfs/dbraw/zinc/01/78/29/150017829.db2.gz LLFWCIXFVDRELC-GUDVDZBRSA-N 2 1 302.462 2.987 20 0 DFADMP CC(C)(C)n1ncc2c1ncnc2N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371311567 150020303 /nfs/dbraw/zinc/02/03/03/150020303.db2.gz XMYQKWYFMQFNER-CHWSQXEVSA-N 2 1 314.437 2.620 20 0 DFADMP Cc1cccc2ncc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)n21 ZINC000371403592 150040149 /nfs/dbraw/zinc/04/01/49/150040149.db2.gz VCHSEMCEHFEZCN-KBAYOESNSA-N 2 1 310.445 2.559 20 0 DFADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1F ZINC000371468838 150051191 /nfs/dbraw/zinc/05/11/91/150051191.db2.gz BSCCYZJYZMLPMP-BPQIPLTHSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1F ZINC000371468838 150051194 /nfs/dbraw/zinc/05/11/94/150051194.db2.gz BSCCYZJYZMLPMP-BPQIPLTHSA-N 2 1 306.425 2.818 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571691 286157240 /nfs/dbraw/zinc/15/72/40/286157240.db2.gz AVKXVJIWHPXFJX-RTBURBONSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571691 286157241 /nfs/dbraw/zinc/15/72/41/286157241.db2.gz AVKXVJIWHPXFJX-RTBURBONSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000351575983 286158384 /nfs/dbraw/zinc/15/83/84/286158384.db2.gz USQSSULKFZNLKJ-WMZOPIPTSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000351575983 286158386 /nfs/dbraw/zinc/15/83/86/286158386.db2.gz USQSSULKFZNLKJ-WMZOPIPTSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](CCN1CCC[C@@H]1[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000372357557 150166334 /nfs/dbraw/zinc/16/63/34/150166334.db2.gz PTJHYSLTDGBHSL-RBUKOAKNSA-N 2 1 319.468 2.816 20 0 DFADMP C[NH+](CCN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000372357557 150166336 /nfs/dbraw/zinc/16/63/36/150166336.db2.gz PTJHYSLTDGBHSL-RBUKOAKNSA-N 2 1 319.468 2.816 20 0 DFADMP C[NH+](CCN1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000372357557 150166338 /nfs/dbraw/zinc/16/63/38/150166338.db2.gz PTJHYSLTDGBHSL-RBUKOAKNSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@@H]([NH2+]CCc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372355317 150167317 /nfs/dbraw/zinc/16/73/17/150167317.db2.gz LOTQDJORXWGBDV-SJLPKXTDSA-N 2 1 310.445 2.519 20 0 DFADMP Cc1ccc(C)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372364084 150167822 /nfs/dbraw/zinc/16/78/22/150167822.db2.gz DERZILQEPDIMPI-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP CSC[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372922624 150203067 /nfs/dbraw/zinc/20/30/67/150203067.db2.gz IZPBODNYYUMFEB-MSOLQXFVSA-N 2 1 322.518 2.697 20 0 DFADMP CSC[C@@H](O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000372922624 150203069 /nfs/dbraw/zinc/20/30/69/150203069.db2.gz IZPBODNYYUMFEB-MSOLQXFVSA-N 2 1 322.518 2.697 20 0 DFADMP CSC[C@@H](O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000372922624 150203072 /nfs/dbraw/zinc/20/30/72/150203072.db2.gz IZPBODNYYUMFEB-MSOLQXFVSA-N 2 1 322.518 2.697 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C[N@H+]1C1CC1 ZINC000372967067 150208809 /nfs/dbraw/zinc/20/88/09/150208809.db2.gz SWWJDLFHQYTAHK-RVKKMQEKSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[NH+]1C1CC1 ZINC000372967067 150208811 /nfs/dbraw/zinc/20/88/11/150208811.db2.gz SWWJDLFHQYTAHK-RVKKMQEKSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[NH+]1C1CC1 ZINC000372967067 150208813 /nfs/dbraw/zinc/20/88/13/150208813.db2.gz SWWJDLFHQYTAHK-RVKKMQEKSA-N 2 1 319.493 2.525 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)cc3Cl)C2)CC1 ZINC000373149579 150237842 /nfs/dbraw/zinc/23/78/42/150237842.db2.gz GXKNFSHMBQSRFI-QGZVFWFLSA-N 2 1 321.896 2.860 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373165573 150240297 /nfs/dbraw/zinc/24/02/97/150240297.db2.gz JFEJMYWEFUZBRI-DOTOQJQBSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373165573 150240298 /nfs/dbraw/zinc/24/02/98/150240298.db2.gz JFEJMYWEFUZBRI-DOTOQJQBSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@H](CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000373912657 150276896 /nfs/dbraw/zinc/27/68/96/150276896.db2.gz QMEKZUMRJYOCAL-UYAOXDASSA-N 2 1 315.505 2.892 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000374232555 150327759 /nfs/dbraw/zinc/32/77/59/150327759.db2.gz VXNKVGJPZMWPNY-WDSOQIARSA-N 2 1 315.505 2.794 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374294417 150337944 /nfs/dbraw/zinc/33/79/44/150337944.db2.gz JZSBYRAHFZONDH-OAHLLOKOSA-N 2 1 308.466 2.526 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374428847 150366098 /nfs/dbraw/zinc/36/60/98/150366098.db2.gz NHOSWESXIZROEN-NZSAHSFTSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374428847 150366105 /nfs/dbraw/zinc/36/61/05/150366105.db2.gz NHOSWESXIZROEN-NZSAHSFTSA-N 2 1 318.461 2.769 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000351751861 286210023 /nfs/dbraw/zinc/21/00/23/286210023.db2.gz DJCCDWVIEDUNOD-DNVCBOLYSA-N 2 1 310.445 2.785 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000351751861 286210025 /nfs/dbraw/zinc/21/00/25/286210025.db2.gz DJCCDWVIEDUNOD-DNVCBOLYSA-N 2 1 310.445 2.785 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857424 286233338 /nfs/dbraw/zinc/23/33/38/286233338.db2.gz BEWOVQZKKAOYKV-GOEBONIOSA-N 2 1 311.429 2.838 20 0 DFADMP CC[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000351847766 286231800 /nfs/dbraw/zinc/23/18/00/286231800.db2.gz BNUVCOOMDTWRQA-BJJXKVORSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H](NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000351847766 286231801 /nfs/dbraw/zinc/23/18/01/286231801.db2.gz BNUVCOOMDTWRQA-BJJXKVORSA-N 2 1 323.868 2.576 20 0 DFADMP CCc1ccc([C@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000352104177 286292575 /nfs/dbraw/zinc/29/25/75/286292575.db2.gz UBEGPWZHBNLWJK-AZUAARDMSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000352104177 286292577 /nfs/dbraw/zinc/29/25/77/286292577.db2.gz UBEGPWZHBNLWJK-AZUAARDMSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000352104177 286292578 /nfs/dbraw/zinc/29/25/78/286292578.db2.gz UBEGPWZHBNLWJK-AZUAARDMSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000352104177 286292580 /nfs/dbraw/zinc/29/25/80/286292580.db2.gz UBEGPWZHBNLWJK-AZUAARDMSA-N 2 1 316.489 2.884 20 0 DFADMP C[NH+](C)Cc1cnc(CNCc2ccc(C[NH+](C)C)cc2)s1 ZINC000352247281 286328331 /nfs/dbraw/zinc/32/83/31/286328331.db2.gz XNKVKEABHUYNHD-UHFFFAOYSA-N 2 1 318.490 2.556 20 0 DFADMP [NH3+]CCC[N@H+](CC(=O)N(C1CC1)C1CCCC1)CC1CCCC1 ZINC000352496688 286388834 /nfs/dbraw/zinc/38/88/34/286388834.db2.gz YJLGHUFQFIZFRI-UHFFFAOYSA-N 2 1 321.509 2.761 20 0 DFADMP Cn1c2ccccc2nc1CC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352504600 286391249 /nfs/dbraw/zinc/39/12/49/286391249.db2.gz SANJSXCIHFSPAG-UHFFFAOYSA-N 2 1 314.477 2.957 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@H]2CC[NH3+])c1 ZINC000352504878 286391446 /nfs/dbraw/zinc/39/14/46/286391446.db2.gz VSFSGDGLEHBLPY-SFHVURJKSA-N 2 1 317.477 2.776 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000352526399 286398338 /nfs/dbraw/zinc/39/83/38/286398338.db2.gz NEFKHQOVKIUAEN-CQSZACIVSA-N 2 1 302.447 2.908 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)s1 ZINC000352735882 286454416 /nfs/dbraw/zinc/45/44/16/286454416.db2.gz JCXKGOFQWHBJMU-OCCSQVGLSA-N 2 1 311.495 2.888 20 0 DFADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000429491356 296746987 /nfs/dbraw/zinc/74/69/87/296746987.db2.gz KZADRVXMGINFFN-RDTXWAMCSA-N 2 1 311.429 2.625 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000429513500 296747585 /nfs/dbraw/zinc/74/75/85/296747585.db2.gz WEEHYWXRKMZFOU-CQSZACIVSA-N 2 1 314.433 2.733 20 0 DFADMP CCC([NH3+])(CC)CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429662048 296754465 /nfs/dbraw/zinc/75/44/65/296754465.db2.gz QQGFDQHGUBNEEF-AWEZNQCLSA-N 2 1 311.857 2.576 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000246939814 158106806 /nfs/dbraw/zinc/10/68/06/158106806.db2.gz GUVLYRJWRXDJIL-VKJFTORMSA-N 2 1 306.450 2.782 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000246970068 158109790 /nfs/dbraw/zinc/10/97/90/158109790.db2.gz JAWOTQAROGZZSE-QAPCUYQASA-N 2 1 317.477 2.646 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246970068 158109794 /nfs/dbraw/zinc/10/97/94/158109794.db2.gz JAWOTQAROGZZSE-QAPCUYQASA-N 2 1 317.477 2.646 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000247053330 158116894 /nfs/dbraw/zinc/11/68/94/158116894.db2.gz LNQACKBDVPCYHL-ZWKOTPCHSA-N 2 1 323.525 2.971 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000247053330 158116896 /nfs/dbraw/zinc/11/68/96/158116896.db2.gz LNQACKBDVPCYHL-ZWKOTPCHSA-N 2 1 323.525 2.971 20 0 DFADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247171178 158120834 /nfs/dbraw/zinc/12/08/34/158120834.db2.gz URCUNHYEHWINFW-YOEHRIQHSA-N 2 1 303.450 2.998 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)Cc2[nH+]cc(C)c(OC)c2C)[C@@H](C)C1 ZINC000247243703 158124852 /nfs/dbraw/zinc/12/48/52/158124852.db2.gz TYUASYRGYBBOPV-WMLDXEAASA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2[nH+]cc(C)c(OC)c2C)[C@@H](C)C1 ZINC000247243703 158124854 /nfs/dbraw/zinc/12/48/54/158124854.db2.gz TYUASYRGYBBOPV-WMLDXEAASA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000247885150 158152274 /nfs/dbraw/zinc/15/22/74/158152274.db2.gz CTPNXEXPQCUOKE-HOCLYGCPSA-N 2 1 300.450 2.665 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000248199397 158164705 /nfs/dbraw/zinc/16/47/05/158164705.db2.gz YCWQHKXCWDZYQX-OIISXLGYSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000248199397 158164709 /nfs/dbraw/zinc/16/47/09/158164709.db2.gz YCWQHKXCWDZYQX-OIISXLGYSA-N 2 1 305.441 2.867 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000248435403 158176342 /nfs/dbraw/zinc/17/63/42/158176342.db2.gz ACUPIHGVBNNMEG-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000248435403 158176347 /nfs/dbraw/zinc/17/63/47/158176347.db2.gz ACUPIHGVBNNMEG-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000248435403 158176350 /nfs/dbraw/zinc/17/63/50/158176350.db2.gz ACUPIHGVBNNMEG-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C[S@@](C)=O)cc1 ZINC000248502988 158179893 /nfs/dbraw/zinc/17/98/93/158179893.db2.gz UQBCGUSRRXCJKM-OYMPBJRDSA-N 2 1 305.447 2.598 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000248597798 158187813 /nfs/dbraw/zinc/18/78/13/158187813.db2.gz UEJMUPWSNWHVRY-UHOSZYNNSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000248597798 158187816 /nfs/dbraw/zinc/18/78/16/158187816.db2.gz UEJMUPWSNWHVRY-UHOSZYNNSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000248597798 158187824 /nfs/dbraw/zinc/18/78/24/158187824.db2.gz UEJMUPWSNWHVRY-UHOSZYNNSA-N 2 1 304.478 2.642 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)[C@@H](C)C1 ZINC000248640210 158192084 /nfs/dbraw/zinc/19/20/84/158192084.db2.gz NHZXGVJWJWHYCB-WEOZKBJRSA-N 2 1 317.477 2.532 20 0 DFADMP COc1ccsc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248654254 158194878 /nfs/dbraw/zinc/19/48/78/158194878.db2.gz ZIVQJTXAKVPTCM-KBPBESRZSA-N 2 1 312.479 2.644 20 0 DFADMP OCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248819673 158202997 /nfs/dbraw/zinc/20/29/97/158202997.db2.gz WIJMHSOQMFLVGN-IPMKNSEASA-N 2 1 302.462 2.649 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000268782191 158209089 /nfs/dbraw/zinc/20/90/89/158209089.db2.gz DHLXUYQNVPHNJW-LPHOPBHVSA-N 2 1 312.461 2.834 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027983 158256549 /nfs/dbraw/zinc/25/65/49/158256549.db2.gz FLYCAQNKZOBOTQ-IRXDYDNUSA-N 2 1 301.478 2.848 20 0 DFADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000355207633 158298550 /nfs/dbraw/zinc/29/85/50/158298550.db2.gz FUKJXWIZECFJKX-KBAYOESNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000355207633 158298552 /nfs/dbraw/zinc/29/85/52/158298552.db2.gz FUKJXWIZECFJKX-KBAYOESNSA-N 2 1 306.425 2.818 20 0 DFADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357083313 158362451 /nfs/dbraw/zinc/36/24/51/158362451.db2.gz OVMMULJRVXRLLJ-GXTWGEPZSA-N 2 1 306.454 2.750 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000358343219 158371159 /nfs/dbraw/zinc/37/11/59/158371159.db2.gz GLYWEVOFTMTVFL-FRQCXROJSA-N 2 1 316.493 2.537 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H](C)c3ccncc3)CC2)C1 ZINC000358343219 158371163 /nfs/dbraw/zinc/37/11/63/158371163.db2.gz GLYWEVOFTMTVFL-FRQCXROJSA-N 2 1 316.493 2.537 20 0 DFADMP Cc1cccc(-c2noc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)n2)c1 ZINC000358508741 158384525 /nfs/dbraw/zinc/38/45/25/158384525.db2.gz PJKXXLMAMWCQFR-UHFFFAOYSA-N 2 1 312.417 2.621 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670746 158397540 /nfs/dbraw/zinc/39/75/40/158397540.db2.gz WVOGERNTSWJGKM-ZHALLVOQSA-N 2 1 303.494 2.969 20 0 DFADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1ccc(F)cc1 ZINC000430559105 296795043 /nfs/dbraw/zinc/79/50/43/296795043.db2.gz RWUYUELGZPUKFI-UHFFFAOYSA-N 2 1 319.424 2.618 20 0 DFADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2c(C)cccc2C(C)C)CC1 ZINC000430954778 296815040 /nfs/dbraw/zinc/81/50/40/296815040.db2.gz GLPJAZIONOJCQO-UHFFFAOYSA-N 2 1 317.477 2.988 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000188920755 287112579 /nfs/dbraw/zinc/11/25/79/287112579.db2.gz XTOPDHHJAMXUAF-FPPGBKCQSA-N 2 1 318.505 2.935 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@](C)(O)C1 ZINC000129518727 196054829 /nfs/dbraw/zinc/05/48/29/196054829.db2.gz HHHRPXIJLDNUBG-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@](C)(O)C1 ZINC000129518727 196054831 /nfs/dbraw/zinc/05/48/31/196054831.db2.gz HHHRPXIJLDNUBG-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@](C)(O)C1 ZINC000129518727 196054832 /nfs/dbraw/zinc/05/48/32/196054832.db2.gz HHHRPXIJLDNUBG-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000130691962 196101840 /nfs/dbraw/zinc/10/18/40/196101840.db2.gz ROFPLYODQDFOQS-UHFFFAOYSA-N 2 1 319.405 2.656 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130691962 196101842 /nfs/dbraw/zinc/10/18/42/196101842.db2.gz ROFPLYODQDFOQS-UHFFFAOYSA-N 2 1 319.405 2.656 20 0 DFADMP COc1cc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC000271630536 209075794 /nfs/dbraw/zinc/07/57/94/209075794.db2.gz BJWFTMNIODQMBS-ZFWWWQNUSA-N 2 1 322.449 2.847 20 0 DFADMP C[C@H](NCC(C)(C)C[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000132124716 196228222 /nfs/dbraw/zinc/22/82/22/196228222.db2.gz NRKQKWISCYFVPY-INIZCTEOSA-N 2 1 321.509 2.865 20 0 DFADMP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000132821538 196286643 /nfs/dbraw/zinc/28/66/43/196286643.db2.gz WKTBCTWDAYDQOF-LJQANCHMSA-N 2 1 323.440 2.540 20 0 DFADMP CC(C)n1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000133125298 196313675 /nfs/dbraw/zinc/31/36/75/196313675.db2.gz QYZWWTPKEFUVGZ-CVEARBPZSA-N 2 1 320.481 2.616 20 0 DFADMP C[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000133899209 196344359 /nfs/dbraw/zinc/34/43/59/196344359.db2.gz NRJJWKDKKQNUDC-GOSISDBHSA-N 2 1 317.521 2.728 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000134138967 196365111 /nfs/dbraw/zinc/36/51/11/196365111.db2.gz QMLLMNWKHNCOEB-PMPSAXMXSA-N 2 1 307.507 2.957 20 0 DFADMP c1cc(C[N@@H+]2CC[C@H](CNc3ccccn3)C2)n(CC2CC2)n1 ZINC000667576594 543635213 /nfs/dbraw/zinc/63/52/13/543635213.db2.gz PWLKNYGFNYRCJY-MRXNPFEDSA-N 2 1 311.433 2.622 20 0 DFADMP c1cc(CN2CC[C@H](CNc3ccccn3)C2)n(CC2CC2)n1 ZINC000667576594 543635216 /nfs/dbraw/zinc/63/52/16/543635216.db2.gz PWLKNYGFNYRCJY-MRXNPFEDSA-N 2 1 311.433 2.622 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2Cc2cnc(C)n2C)n1 ZINC000667611865 543641091 /nfs/dbraw/zinc/64/10/91/543641091.db2.gz FJPWSALBCLCXMK-MRXNPFEDSA-N 2 1 301.438 2.597 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCCN2Cc2cnc(C)n2C)n1 ZINC000667611865 543641094 /nfs/dbraw/zinc/64/10/94/543641094.db2.gz FJPWSALBCLCXMK-MRXNPFEDSA-N 2 1 301.438 2.597 20 0 DFADMP Cc1[nH+]cc(CN2CCN(Cc3ccc(Cl)cc3)CC2)n1C ZINC000667480705 543615307 /nfs/dbraw/zinc/61/53/07/543615307.db2.gz UTCBBIZFEXMUAT-UHFFFAOYSA-N 2 1 318.852 2.700 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000667884982 543698156 /nfs/dbraw/zinc/69/81/56/543698156.db2.gz IPXQCUKADQFURH-JZXOWHBKSA-N 2 1 320.477 2.715 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000667884982 543698157 /nfs/dbraw/zinc/69/81/57/543698157.db2.gz IPXQCUKADQFURH-JZXOWHBKSA-N 2 1 320.477 2.715 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668468 543656354 /nfs/dbraw/zinc/65/63/54/543656354.db2.gz OGDZXXVOKAYNGU-MRXNPFEDSA-N 2 1 313.449 2.574 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccccc1 ZINC000667734968 543670033 /nfs/dbraw/zinc/67/00/33/543670033.db2.gz CUIHWKRWZVHDSP-QZTJIDSGSA-N 2 1 324.428 2.712 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667962780 543713868 /nfs/dbraw/zinc/71/38/68/543713868.db2.gz ZPTOHBKMNUKPLZ-TTYHFUOFSA-N 2 1 314.473 2.922 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]2[C@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000668270839 543780937 /nfs/dbraw/zinc/78/09/37/543780937.db2.gz PSJKDSRLFFEYSN-MAUKXSAKSA-N 2 1 312.417 2.658 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000668270839 543780939 /nfs/dbraw/zinc/78/09/39/543780939.db2.gz PSJKDSRLFFEYSN-MAUKXSAKSA-N 2 1 312.417 2.658 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172856 543759014 /nfs/dbraw/zinc/75/90/14/543759014.db2.gz VFBGTFINUUTSBP-AYOQOUSVSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172856 543759016 /nfs/dbraw/zinc/75/90/16/543759016.db2.gz VFBGTFINUUTSBP-AYOQOUSVSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172856 543759019 /nfs/dbraw/zinc/75/90/19/543759019.db2.gz VFBGTFINUUTSBP-AYOQOUSVSA-N 2 1 318.461 2.626 20 0 DFADMP CN1CC(C[N@H+](C)Cc2ccc(Sc3ccccn3)o2)C1 ZINC000668540136 543821455 /nfs/dbraw/zinc/82/14/55/543821455.db2.gz XHDLDHNANYMXHI-UHFFFAOYSA-N 2 1 303.431 2.819 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2ccc(Sc3ccccn3)o2)C1 ZINC000668540136 543821459 /nfs/dbraw/zinc/82/14/59/543821459.db2.gz XHDLDHNANYMXHI-UHFFFAOYSA-N 2 1 303.431 2.819 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668597977 543835299 /nfs/dbraw/zinc/83/52/99/543835299.db2.gz HGBRWQQLHLJERM-PKOBYXMFSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668597977 543835300 /nfs/dbraw/zinc/83/53/00/543835300.db2.gz HGBRWQQLHLJERM-PKOBYXMFSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668597977 543835303 /nfs/dbraw/zinc/83/53/03/543835303.db2.gz HGBRWQQLHLJERM-PKOBYXMFSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000668597977 543835306 /nfs/dbraw/zinc/83/53/06/543835306.db2.gz HGBRWQQLHLJERM-PKOBYXMFSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668694115 543847217 /nfs/dbraw/zinc/84/72/17/543847217.db2.gz ZVBFTUCXPJGFKT-QFBILLFUSA-N 2 1 302.462 2.708 20 0 DFADMP Cc1oc2ccccc2c1C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000668739416 543857984 /nfs/dbraw/zinc/85/79/84/543857984.db2.gz LXLPXERWSPLLDN-INIZCTEOSA-N 2 1 314.429 2.772 20 0 DFADMP Cc1oc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668739416 543857986 /nfs/dbraw/zinc/85/79/86/543857986.db2.gz LXLPXERWSPLLDN-INIZCTEOSA-N 2 1 314.429 2.772 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668784214 543866696 /nfs/dbraw/zinc/86/66/96/543866696.db2.gz CTIAOEDAVVXQJO-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CCOc1cccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000668784214 543866700 /nfs/dbraw/zinc/86/67/00/543866700.db2.gz CTIAOEDAVVXQJO-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)C1 ZINC000668740616 543859202 /nfs/dbraw/zinc/85/92/02/543859202.db2.gz WNPFKNVEGPCFEZ-HXUWFJFHSA-N 2 1 314.473 2.596 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)C1 ZINC000668740616 543859204 /nfs/dbraw/zinc/85/92/04/543859204.db2.gz WNPFKNVEGPCFEZ-HXUWFJFHSA-N 2 1 314.473 2.596 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2C[C@H]2c2ccccc2)CCO1 ZINC000668785857 543867878 /nfs/dbraw/zinc/86/78/78/543867878.db2.gz ZIGLXGSDYJAWQA-QRVBRYPASA-N 2 1 302.462 2.833 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000296673781 226108897 /nfs/dbraw/zinc/10/88/97/226108897.db2.gz HGSLHYAVCSQGKB-RTBURBONSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000296673781 226108899 /nfs/dbraw/zinc/10/88/99/226108899.db2.gz HGSLHYAVCSQGKB-RTBURBONSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000296673781 226108903 /nfs/dbraw/zinc/10/89/03/226108903.db2.gz HGSLHYAVCSQGKB-RTBURBONSA-N 2 1 302.462 2.662 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@H]2CCCO2)cc1 ZINC000671309027 544067119 /nfs/dbraw/zinc/06/71/19/544067119.db2.gz GDUPGUBRDSBKKK-RTBURBONSA-N 2 1 318.461 2.770 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741914 544105276 /nfs/dbraw/zinc/10/52/76/544105276.db2.gz QFIKPCINHODBFI-NSHDSACASA-N 2 1 300.362 2.779 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000672868869 544158059 /nfs/dbraw/zinc/15/80/59/544158059.db2.gz VJRPFBIHPRXQLM-IRXDYDNUSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000672868869 544158060 /nfs/dbraw/zinc/15/80/60/544158060.db2.gz VJRPFBIHPRXQLM-IRXDYDNUSA-N 2 1 318.465 2.620 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC000673757103 544196297 /nfs/dbraw/zinc/19/62/97/544196297.db2.gz MISYAAXSDOECJT-LJQANCHMSA-N 2 1 319.493 2.685 20 0 DFADMP CSC1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000290898443 222002471 /nfs/dbraw/zinc/00/24/71/222002471.db2.gz NRMBUZWZFHDUIV-UHFFFAOYSA-N 2 1 320.502 2.894 20 0 DFADMP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674094527 544220072 /nfs/dbraw/zinc/22/00/72/544220072.db2.gz OXMCEDLOPLXDJU-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000674266376 544228089 /nfs/dbraw/zinc/22/80/89/544228089.db2.gz RVIPCAMSDSCWHG-FHWLQOOXSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000674266376 544228091 /nfs/dbraw/zinc/22/80/91/544228091.db2.gz RVIPCAMSDSCWHG-FHWLQOOXSA-N 2 1 302.462 2.601 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000674306015 544230725 /nfs/dbraw/zinc/23/07/25/544230725.db2.gz YOBRNSAWMKUYRS-WBVHZDCISA-N 2 1 300.450 2.805 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675752463 544333798 /nfs/dbraw/zinc/33/37/98/544333798.db2.gz VLGZJFVJPZDPHY-LZWOXQAQSA-N 2 1 302.418 2.735 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752463 544333799 /nfs/dbraw/zinc/33/37/99/544333799.db2.gz VLGZJFVJPZDPHY-LZWOXQAQSA-N 2 1 302.418 2.735 20 0 DFADMP O[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000675766636 544334437 /nfs/dbraw/zinc/33/44/37/544334437.db2.gz LKUZKCKOWYWEQJ-RBUKOAKNSA-N 2 1 320.452 2.726 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000675767375 544335074 /nfs/dbraw/zinc/33/50/74/544335074.db2.gz SOMWEZOGPYMKTN-BVBHFADKSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H](O)C1 ZINC000675767375 544335075 /nfs/dbraw/zinc/33/50/75/544335075.db2.gz SOMWEZOGPYMKTN-BVBHFADKSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881972 544341158 /nfs/dbraw/zinc/34/11/58/544341158.db2.gz OIIFYMGSQGVIMG-YJBOKZPZSA-N 2 1 306.450 2.834 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)C1(c2ccccc2)CCCC1 ZINC000675889608 544342025 /nfs/dbraw/zinc/34/20/25/544342025.db2.gz PNSXAPGNPUOARL-QGZVFWFLSA-N 2 1 316.489 2.933 20 0 DFADMP C[C@@H](CC1CCC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675897981 544342682 /nfs/dbraw/zinc/34/26/82/544342682.db2.gz ARSNVOLAIIRVMW-QFBILLFUSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H](CC1CCC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675897981 544342685 /nfs/dbraw/zinc/34/26/85/544342685.db2.gz ARSNVOLAIIRVMW-QFBILLFUSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677242384 544458262 /nfs/dbraw/zinc/45/82/62/544458262.db2.gz ZMNZEIIKKAAOJE-HZPDHXFCSA-N 2 1 304.434 2.681 20 0 DFADMP C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677904575 544563198 /nfs/dbraw/zinc/56/31/98/544563198.db2.gz UWYJDVFHZKYBDF-UVTBNNFDSA-N 2 1 313.489 2.658 20 0 DFADMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000677904575 544563205 /nfs/dbraw/zinc/56/32/05/544563205.db2.gz UWYJDVFHZKYBDF-UVTBNNFDSA-N 2 1 313.489 2.658 20 0 DFADMP CC[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000678258767 544634553 /nfs/dbraw/zinc/63/45/53/544634553.db2.gz MQAFYBPPYBCRSO-UYAOXDASSA-N 2 1 315.505 2.892 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C[C@H]2CCOC2)C2CC2)cc1 ZINC000678135928 544608269 /nfs/dbraw/zinc/60/82/69/544608269.db2.gz KHFSIDMNLYWCIT-QGZVFWFLSA-N 2 1 318.461 2.628 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058459 297214073 /nfs/dbraw/zinc/21/40/73/297214073.db2.gz AFGGYCNMKFNOCS-JKSUJKDBSA-N 2 1 303.450 2.691 20 0 DFADMP CC[C@H](C)Oc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000678343023 544655929 /nfs/dbraw/zinc/65/59/29/544655929.db2.gz KOUIIRHWNOAJSZ-NUEKZKHPSA-N 2 1 304.434 2.524 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678411303 544668688 /nfs/dbraw/zinc/66/86/88/544668688.db2.gz KMVLULRLWXOIHW-KRWDZBQOSA-N 2 1 318.509 2.767 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678411304 544669129 /nfs/dbraw/zinc/66/91/29/544669129.db2.gz KMVLULRLWXOIHW-QGZVFWFLSA-N 2 1 318.509 2.767 20 0 DFADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC12CCC2 ZINC000678469311 544679335 /nfs/dbraw/zinc/67/93/35/544679335.db2.gz NMOPDWPOKGRNMK-MJGOQNOKSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC12CCC2 ZINC000678469311 544679336 /nfs/dbraw/zinc/67/93/36/544679336.db2.gz NMOPDWPOKGRNMK-MJGOQNOKSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC12CCC2 ZINC000678469311 544679339 /nfs/dbraw/zinc/67/93/39/544679339.db2.gz NMOPDWPOKGRNMK-MJGOQNOKSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC12CCC2 ZINC000678469311 544679343 /nfs/dbraw/zinc/67/93/43/544679343.db2.gz NMOPDWPOKGRNMK-MJGOQNOKSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC12CCC2 ZINC000678469309 544679499 /nfs/dbraw/zinc/67/94/99/544679499.db2.gz NMOPDWPOKGRNMK-HKUYNNGSSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC12CCC2 ZINC000678469309 544679501 /nfs/dbraw/zinc/67/95/01/544679501.db2.gz NMOPDWPOKGRNMK-HKUYNNGSSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC12CCC2 ZINC000678469309 544679504 /nfs/dbraw/zinc/67/95/04/544679504.db2.gz NMOPDWPOKGRNMK-HKUYNNGSSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC12CCC2 ZINC000678469309 544679507 /nfs/dbraw/zinc/67/95/07/544679507.db2.gz NMOPDWPOKGRNMK-HKUYNNGSSA-N 2 1 316.489 2.991 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cccc(F)c3n2)[C@@H](C)C1 ZINC000678277238 544641332 /nfs/dbraw/zinc/64/13/32/544641332.db2.gz HBKASKBHZYWRLO-BBRMVZONSA-N 2 1 304.413 2.636 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C)cc2)C1 ZINC000299501329 229158252 /nfs/dbraw/zinc/15/82/52/229158252.db2.gz IARNRNRNMPHNOI-YJBOKZPZSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C)cc2)C1 ZINC000299501329 229158256 /nfs/dbraw/zinc/15/82/56/229158256.db2.gz IARNRNRNMPHNOI-YJBOKZPZSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C)cc2)C1 ZINC000299501329 229158260 /nfs/dbraw/zinc/15/82/60/229158260.db2.gz IARNRNRNMPHNOI-YJBOKZPZSA-N 2 1 315.461 2.951 20 0 DFADMP CCn1cnnc1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000678586624 544696559 /nfs/dbraw/zinc/69/65/59/544696559.db2.gz CJPLMDJDZVGNSH-AWEZNQCLSA-N 2 1 324.432 2.685 20 0 DFADMP Cc1cccc(C)c1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678722195 544712078 /nfs/dbraw/zinc/71/20/78/544712078.db2.gz YOCRCJWKYAXNET-IBGZPJMESA-N 2 1 315.505 2.904 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C12CCC2 ZINC000678928814 544750833 /nfs/dbraw/zinc/75/08/33/544750833.db2.gz XFPUSJPBKMBCKN-FGTMMUONSA-N 2 1 322.493 2.567 20 0 DFADMP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000679037927 544772803 /nfs/dbraw/zinc/77/28/03/544772803.db2.gz YVCQZGXDYWZIKE-MOPGFXCFSA-N 2 1 302.462 2.677 20 0 DFADMP CCn1ncc2c1CCC[C@@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000679052623 544775147 /nfs/dbraw/zinc/77/51/47/544775147.db2.gz VRXUPHVWKBVNSO-KRWDZBQOSA-N 2 1 302.466 2.744 20 0 DFADMP C[C@H]1C[C@@H](Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@H+]1C ZINC000679053041 544775453 /nfs/dbraw/zinc/77/54/53/544775453.db2.gz XPZBIWLJSQHXKX-YJBOKZPZSA-N 2 1 317.477 2.538 20 0 DFADMP CC(C)[C@H](CSc1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679364347 544841625 /nfs/dbraw/zinc/84/16/25/544841625.db2.gz XKROMWDQDPLRCN-SFHVURJKSA-N 2 1 322.518 2.850 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000679723031 544905267 /nfs/dbraw/zinc/90/52/67/544905267.db2.gz JLWALJCNRBBGTP-XYJFISCASA-N 3 1 307.526 2.959 20 0 DFADMP CC(C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679721599 544905782 /nfs/dbraw/zinc/90/57/82/544905782.db2.gz PFUUYVPDIUGFAX-OKZBNKHCSA-N 2 1 302.462 2.648 20 0 DFADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000680333500 544991772 /nfs/dbraw/zinc/99/17/72/544991772.db2.gz CSUGFWDWAUEKRU-BZSNNMDCSA-N 2 1 300.446 2.769 20 0 DFADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000680377996 545001633 /nfs/dbraw/zinc/00/16/33/545001633.db2.gz CRHSCRHAUPEQKC-JFRXWTBNSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000680377996 545001634 /nfs/dbraw/zinc/00/16/34/545001634.db2.gz CRHSCRHAUPEQKC-JFRXWTBNSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(F)c(F)c2)C[C@H](C)O1 ZINC000067453052 425910687 /nfs/dbraw/zinc/91/06/87/425910687.db2.gz AOPOLVNEQGYMJH-OKILXGFUSA-N 2 1 312.404 2.944 20 0 DFADMP c1cn(-c2ccc(C[N@@H+](Cc3cccnc3)C3CC3)cn2)cn1 ZINC000124676022 425931819 /nfs/dbraw/zinc/93/18/19/425931819.db2.gz VMUGRHAFMSIPSC-UHFFFAOYSA-N 2 1 305.385 2.827 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000044533913 425856853 /nfs/dbraw/zinc/85/68/53/425856853.db2.gz CFHKEHRDUIRNFJ-LBPRGKRZSA-N 2 1 310.825 2.543 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000044533913 425856854 /nfs/dbraw/zinc/85/68/54/425856854.db2.gz CFHKEHRDUIRNFJ-LBPRGKRZSA-N 2 1 310.825 2.543 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCC[C@H](C)C2)o1 ZINC000046879645 425866687 /nfs/dbraw/zinc/86/66/87/425866687.db2.gz LTEABTJHQZHYBF-HNNXBMFYSA-N 2 1 321.465 2.583 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000192439884 268036793 /nfs/dbraw/zinc/03/67/93/268036793.db2.gz KPOCXZFGBAPZLG-YHOLWWCESA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000192439428 268037231 /nfs/dbraw/zinc/03/72/31/268037231.db2.gz QGPNVDLYCDLJNS-JCYILVPMSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@]2(C)CCC[NH2+]C2)c1 ZINC000236664364 268148181 /nfs/dbraw/zinc/14/81/81/268148181.db2.gz NIVNRONQVGGCJL-IBGZPJMESA-N 2 1 317.477 2.533 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cn2c(n1)CCCC2 ZINC000268113705 268183394 /nfs/dbraw/zinc/18/33/94/268183394.db2.gz MQHNWUQYIFKUKR-LPHOPBHVSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cn2c(n1)CCCC2 ZINC000268113705 268183397 /nfs/dbraw/zinc/18/33/97/268183397.db2.gz MQHNWUQYIFKUKR-LPHOPBHVSA-N 2 1 324.472 2.830 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000270851377 268225970 /nfs/dbraw/zinc/22/59/70/268225970.db2.gz HXUIEFYFKQGCJZ-LSDHHAIUSA-N 2 1 305.447 2.841 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cccs1 ZINC000270851377 268225972 /nfs/dbraw/zinc/22/59/72/268225972.db2.gz HXUIEFYFKQGCJZ-LSDHHAIUSA-N 2 1 305.447 2.841 20 0 DFADMP COC(=O)CCC[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270904482 268232694 /nfs/dbraw/zinc/23/26/94/268232694.db2.gz RRGCOBLBBCBMKR-UHFFFAOYSA-N 2 1 315.417 2.647 20 0 DFADMP COC(=O)CCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000270904482 268232696 /nfs/dbraw/zinc/23/26/96/268232696.db2.gz RRGCOBLBBCBMKR-UHFFFAOYSA-N 2 1 315.417 2.647 20 0 DFADMP CC(C)[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272656349 268252574 /nfs/dbraw/zinc/25/25/74/268252574.db2.gz LPOQTQLHYNUBKX-UHOSZYNNSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H](C[S@@](C)=O)[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000273719881 268255508 /nfs/dbraw/zinc/25/55/08/268255508.db2.gz LPEPVVWHKOCASB-UNMKOGDSSA-N 2 1 322.518 2.738 20 0 DFADMP CC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000309998321 268336765 /nfs/dbraw/zinc/33/67/65/268336765.db2.gz COYJHRFYHQBKLM-ZDUSSCGKSA-N 2 1 311.470 2.506 20 0 DFADMP CC(C)(C)[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310029098 268337137 /nfs/dbraw/zinc/33/71/37/268337137.db2.gz WUDQFZIGCKOWPM-IPMKNSEASA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310029098 268337138 /nfs/dbraw/zinc/33/71/38/268337138.db2.gz WUDQFZIGCKOWPM-IPMKNSEASA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310029098 268337139 /nfs/dbraw/zinc/33/71/39/268337139.db2.gz WUDQFZIGCKOWPM-IPMKNSEASA-N 2 1 316.489 2.847 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310030561 268337257 /nfs/dbraw/zinc/33/72/57/268337257.db2.gz XNMDEPWOJYSTMT-RBSFLKMASA-N 2 1 313.486 2.752 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310030561 268337259 /nfs/dbraw/zinc/33/72/59/268337259.db2.gz XNMDEPWOJYSTMT-RBSFLKMASA-N 2 1 313.486 2.752 20 0 DFADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313361458 268339667 /nfs/dbraw/zinc/33/96/67/268339667.db2.gz UJMMYTGJPKKXMB-RISCZKNCSA-N 2 1 318.339 2.696 20 0 DFADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313361458 268339669 /nfs/dbraw/zinc/33/96/69/268339669.db2.gz UJMMYTGJPKKXMB-RISCZKNCSA-N 2 1 318.339 2.696 20 0 DFADMP C[N@@H+](Cc1cccc(Cl)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315791921 268344250 /nfs/dbraw/zinc/34/42/50/268344250.db2.gz UOIWWMFGYPOBID-ROUUACIJSA-N 2 1 318.848 2.703 20 0 DFADMP C[N@H+](Cc1cccc(Cl)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315791921 268344252 /nfs/dbraw/zinc/34/42/52/268344252.db2.gz UOIWWMFGYPOBID-ROUUACIJSA-N 2 1 318.848 2.703 20 0 DFADMP Fc1ccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1 ZINC000323867066 268350336 /nfs/dbraw/zinc/35/03/36/268350336.db2.gz KSEDFMZDODRBSL-GASCZTMLSA-N 2 1 315.392 2.912 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1Br ZINC000049554034 425879761 /nfs/dbraw/zinc/87/97/61/425879761.db2.gz JDKNDZHPRNJBRP-LLVKDONJSA-N 2 1 315.255 2.888 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCCCCO)CC1 ZINC000103227963 425939496 /nfs/dbraw/zinc/93/94/96/425939496.db2.gz BPVDQEVHESHVLO-UHFFFAOYSA-N 2 1 304.478 2.993 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000107370466 425990098 /nfs/dbraw/zinc/99/00/98/425990098.db2.gz FLPLPVVMMHBVAB-IBGZPJMESA-N 2 1 301.478 2.515 20 0 DFADMP Oc1ccc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000107801269 426003163 /nfs/dbraw/zinc/00/31/63/426003163.db2.gz ZMTIKZJAOZHCNC-UHFFFAOYSA-N 2 1 312.413 2.514 20 0 DFADMP C[C@@H](C(=O)N(C)C1CCCCC1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158514604 425943641 /nfs/dbraw/zinc/94/36/41/425943641.db2.gz FNGOQWOTDOKCBX-LZLYRXPVSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158514604 425943643 /nfs/dbraw/zinc/94/36/43/425943643.db2.gz FNGOQWOTDOKCBX-LZLYRXPVSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158514604 425943645 /nfs/dbraw/zinc/94/36/45/425943645.db2.gz FNGOQWOTDOKCBX-LZLYRXPVSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158514604 425943648 /nfs/dbraw/zinc/94/36/48/425943648.db2.gz FNGOQWOTDOKCBX-LZLYRXPVSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158514604 425943650 /nfs/dbraw/zinc/94/36/50/425943650.db2.gz FNGOQWOTDOKCBX-LZLYRXPVSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158910240 425950077 /nfs/dbraw/zinc/95/00/77/425950077.db2.gz QGRPTRRYRYISDQ-WDYCEAGBSA-N 2 1 302.462 2.602 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000158975818 425950631 /nfs/dbraw/zinc/95/06/31/425950631.db2.gz POFFPQKQUWZYJX-ZWKOTPCHSA-N 2 1 308.441 2.959 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000125051505 425951669 /nfs/dbraw/zinc/95/16/69/425951669.db2.gz JPQSFWHULQQCHW-RDJZCZTQSA-N 2 1 320.481 2.598 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000125051505 425951671 /nfs/dbraw/zinc/95/16/71/425951671.db2.gz JPQSFWHULQQCHW-RDJZCZTQSA-N 2 1 320.481 2.598 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000158975670 425951708 /nfs/dbraw/zinc/95/17/08/425951708.db2.gz POFFPQKQUWZYJX-ROUUACIJSA-N 2 1 308.441 2.959 20 0 DFADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158999567 425952009 /nfs/dbraw/zinc/95/20/09/425952009.db2.gz VLXYBOLEWDZUJV-POZUXBRTSA-N 2 1 320.452 2.741 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000159209448 425956628 /nfs/dbraw/zinc/95/66/28/425956628.db2.gz CDHQKWMXAMGBGK-OAHLLOKOSA-N 2 1 308.470 2.616 20 0 DFADMP COC(=O)c1oc([C@@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000125211687 425959102 /nfs/dbraw/zinc/95/91/02/425959102.db2.gz WHGVVLLFMLUOSE-ZIAGYGMSSA-N 2 1 308.422 2.709 20 0 DFADMP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000126668915 426030852 /nfs/dbraw/zinc/03/08/52/426030852.db2.gz ZBGNIQPCRAAUQE-WOJBJXKFSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000126668915 426030855 /nfs/dbraw/zinc/03/08/55/426030855.db2.gz ZBGNIQPCRAAUQE-WOJBJXKFSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000126668915 426030856 /nfs/dbraw/zinc/03/08/56/426030856.db2.gz ZBGNIQPCRAAUQE-WOJBJXKFSA-N 2 1 313.489 2.867 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000126658992 426030874 /nfs/dbraw/zinc/03/08/74/426030874.db2.gz QVPLBDIGSZKIQE-JKSUJKDBSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000126658992 426030878 /nfs/dbraw/zinc/03/08/78/426030878.db2.gz QVPLBDIGSZKIQE-JKSUJKDBSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111230881 426039848 /nfs/dbraw/zinc/03/98/48/426039848.db2.gz WLZHCYOLPNTTRK-PKOBYXMFSA-N 2 1 301.478 2.850 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000111240813 426040773 /nfs/dbraw/zinc/04/07/73/426040773.db2.gz MPJMMZCWWRZXTN-UHFFFAOYSA-N 2 1 304.434 2.764 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000111240813 426040774 /nfs/dbraw/zinc/04/07/74/426040774.db2.gz MPJMMZCWWRZXTN-UHFFFAOYSA-N 2 1 304.434 2.764 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000111241202 426040979 /nfs/dbraw/zinc/04/09/79/426040979.db2.gz OPUUGRLOEWFQPJ-UHFFFAOYSA-N 2 1 315.465 2.583 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000111241202 426040981 /nfs/dbraw/zinc/04/09/81/426040981.db2.gz OPUUGRLOEWFQPJ-UHFFFAOYSA-N 2 1 315.465 2.583 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000161857184 426042415 /nfs/dbraw/zinc/04/24/15/426042415.db2.gz HNXSGCRFZLOQMR-DVHLICQRSA-N 2 1 321.509 2.676 20 0 DFADMP COc1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1O ZINC000161971393 426047568 /nfs/dbraw/zinc/04/75/68/426047568.db2.gz CEMINDRXWQCNBC-UHFFFAOYSA-N 2 1 303.406 2.818 20 0 DFADMP COc1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1O ZINC000161971393 426047570 /nfs/dbraw/zinc/04/75/70/426047570.db2.gz CEMINDRXWQCNBC-UHFFFAOYSA-N 2 1 303.406 2.818 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000162235158 426057822 /nfs/dbraw/zinc/05/78/22/426057822.db2.gz CTPNXEXPQCUOKE-GDBMZVCRSA-N 2 1 300.450 2.665 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000163359885 426097520 /nfs/dbraw/zinc/09/75/20/426097520.db2.gz MGDYBTIUQDTRLP-CWRNSKLLSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000163359885 426097524 /nfs/dbraw/zinc/09/75/24/426097524.db2.gz MGDYBTIUQDTRLP-CWRNSKLLSA-N 2 1 307.869 2.991 20 0 DFADMP c1cc2c(cc1CN[C@H]1CC[N@H+]3CCC[C@@H]3C1)OCCCO2 ZINC000128100156 426101254 /nfs/dbraw/zinc/10/12/54/426101254.db2.gz RLHPSQYMIOINQZ-JKSUJKDBSA-N 2 1 302.418 2.564 20 0 DFADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCCO2 ZINC000128100156 426101256 /nfs/dbraw/zinc/10/12/56/426101256.db2.gz RLHPSQYMIOINQZ-JKSUJKDBSA-N 2 1 302.418 2.564 20 0 DFADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)OCCCO2 ZINC000128100156 426101258 /nfs/dbraw/zinc/10/12/58/426101258.db2.gz RLHPSQYMIOINQZ-JKSUJKDBSA-N 2 1 302.418 2.564 20 0 DFADMP C[C@H]([NH2+]Cc1nccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000128151789 426104509 /nfs/dbraw/zinc/10/45/09/426104509.db2.gz LZXIZQKJEQBVQB-ZDUSSCGKSA-N 2 1 305.447 2.934 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(F)c1 ZINC000128257039 426108778 /nfs/dbraw/zinc/10/87/78/426108778.db2.gz FNSDUYITTIJUIX-HNNXBMFYSA-N 2 1 323.456 2.513 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000164563754 426115823 /nfs/dbraw/zinc/11/58/23/426115823.db2.gz SMPOSSKKDUSWPX-DOTOQJQBSA-N 2 1 315.461 2.999 20 0 DFADMP COC[C@H](Cc1ccccc1)[NH2+]CCCCn1cc[nH+]c1C ZINC000164648084 426117435 /nfs/dbraw/zinc/11/74/35/426117435.db2.gz JRXZATWCPHSMFT-SFHVURJKSA-N 2 1 301.434 2.819 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)C[C@@H]1C ZINC000338020292 268602346 /nfs/dbraw/zinc/60/23/46/268602346.db2.gz YAFVPZWAAMJYMJ-CWRNSKLLSA-N 2 1 307.438 2.539 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000165118725 426120430 /nfs/dbraw/zinc/12/04/30/426120430.db2.gz HOTRSCRDRHJXLV-DLBZAZTESA-N 2 1 323.525 2.641 20 0 DFADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128720062 426130513 /nfs/dbraw/zinc/13/05/13/426130513.db2.gz ATSNCFSQZYBDEL-HNAYVOBHSA-N 2 1 319.468 2.676 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000114376797 426133628 /nfs/dbraw/zinc/13/36/28/426133628.db2.gz ITPYKKBDUUSGFV-MSOLQXFVSA-N 2 1 319.493 2.772 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC(C)(C)CC2)CC1 ZINC000127631975 426078111 /nfs/dbraw/zinc/07/81/11/426078111.db2.gz AIIKUCMFVGMRJK-UHFFFAOYSA-N 2 1 323.525 2.876 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000162854811 426080506 /nfs/dbraw/zinc/08/05/06/426080506.db2.gz LPSMRZKTNYDWBK-KRWDZBQOSA-N 2 1 303.406 2.856 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000162854811 426080508 /nfs/dbraw/zinc/08/05/08/426080508.db2.gz LPSMRZKTNYDWBK-KRWDZBQOSA-N 2 1 303.406 2.856 20 0 DFADMP O[C@@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134932875 426200798 /nfs/dbraw/zinc/20/07/98/426200798.db2.gz YKYQELFZTIEMET-LZQZEXGQSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134932875 426200801 /nfs/dbraw/zinc/20/08/01/426200801.db2.gz YKYQELFZTIEMET-LZQZEXGQSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccc(F)cc1 ZINC000134932875 426200804 /nfs/dbraw/zinc/20/08/04/426200804.db2.gz YKYQELFZTIEMET-LZQZEXGQSA-N 2 1 318.436 2.808 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132758954 426171068 /nfs/dbraw/zinc/17/10/68/426171068.db2.gz VKSMLXDIROHMOO-GJYPPUQNSA-N 2 1 301.478 2.974 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302513 426172659 /nfs/dbraw/zinc/17/26/59/426172659.db2.gz AMYDXYHIALEMNV-KBMXLJTQSA-N 2 1 304.434 2.981 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302513 426172661 /nfs/dbraw/zinc/17/26/61/426172661.db2.gz AMYDXYHIALEMNV-KBMXLJTQSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCC(C)CC1 ZINC000116397325 426188735 /nfs/dbraw/zinc/18/87/35/426188735.db2.gz JAGDZBGJIHQOOW-HOTGVXAUSA-N 2 1 311.514 2.589 20 0 DFADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)C(C)(C)C ZINC000116396353 426188921 /nfs/dbraw/zinc/18/89/21/426188921.db2.gz BDSWWMFATOXEFN-DLBZAZTESA-N 2 1 317.477 2.748 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000134693642 426191639 /nfs/dbraw/zinc/19/16/39/426191639.db2.gz JNPSZOZPRUQYOD-APWZRJJASA-N 2 1 302.462 2.843 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000134693642 426191643 /nfs/dbraw/zinc/19/16/43/426191643.db2.gz JNPSZOZPRUQYOD-APWZRJJASA-N 2 1 302.462 2.843 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000079461821 426192599 /nfs/dbraw/zinc/19/25/99/426192599.db2.gz TUKTVSVDGAUESZ-RDTXWAMCSA-N 2 1 313.445 2.690 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000079461821 426192601 /nfs/dbraw/zinc/19/26/01/426192601.db2.gz TUKTVSVDGAUESZ-RDTXWAMCSA-N 2 1 313.445 2.690 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000079461821 426192603 /nfs/dbraw/zinc/19/26/03/426192603.db2.gz TUKTVSVDGAUESZ-RDTXWAMCSA-N 2 1 313.445 2.690 20 0 DFADMP CCc1noc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000134863760 426196604 /nfs/dbraw/zinc/19/66/04/426196604.db2.gz WPPDQTYPLFNHKU-GZBFAFLISA-N 2 1 304.438 2.642 20 0 DFADMP Cc1cccc(C[N@@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000136066489 426234475 /nfs/dbraw/zinc/23/44/75/426234475.db2.gz ZKQZZPSDZYPJRT-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1cccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000136066489 426234477 /nfs/dbraw/zinc/23/44/77/426234477.db2.gz ZKQZZPSDZYPJRT-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1cccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000136066489 426234479 /nfs/dbraw/zinc/23/44/79/426234479.db2.gz ZKQZZPSDZYPJRT-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP COc1ccc(OCC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000136309703 426239765 /nfs/dbraw/zinc/23/97/65/426239765.db2.gz USTPMJKTPNUALU-UHFFFAOYSA-N 2 1 303.406 2.601 20 0 DFADMP COc1ccc(OCC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000136309703 426239767 /nfs/dbraw/zinc/23/97/67/426239767.db2.gz USTPMJKTPNUALU-UHFFFAOYSA-N 2 1 303.406 2.601 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042367 426274504 /nfs/dbraw/zinc/27/45/04/426274504.db2.gz AFPGZNNXZCTOLM-HLLBOEOZSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042367 426274505 /nfs/dbraw/zinc/27/45/05/426274505.db2.gz AFPGZNNXZCTOLM-HLLBOEOZSA-N 2 1 302.466 2.500 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC(F)F ZINC000174515920 426259741 /nfs/dbraw/zinc/25/97/41/426259741.db2.gz MVGKJNXGBCSARM-DGCLKSJQSA-N 2 1 314.376 2.869 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC(F)F ZINC000174515920 426259744 /nfs/dbraw/zinc/25/97/44/426259744.db2.gz MVGKJNXGBCSARM-DGCLKSJQSA-N 2 1 314.376 2.869 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000174643011 426261037 /nfs/dbraw/zinc/26/10/37/426261037.db2.gz RBICWMPZGPFPQS-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP CCC[NH+](CC)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000174643011 426261038 /nfs/dbraw/zinc/26/10/38/426261038.db2.gz RBICWMPZGPFPQS-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP CCC[NH+](CC)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000174643011 426261040 /nfs/dbraw/zinc/26/10/40/426261040.db2.gz RBICWMPZGPFPQS-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP COCC[NH+]1CCC([NH2+]C2CC(c3ccccc3C)C2)CC1 ZINC000119118843 426264100 /nfs/dbraw/zinc/26/41/00/426264100.db2.gz JQXOHRSXROHHRC-UHFFFAOYSA-N 2 1 302.462 2.941 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cccn3C)CC2)oc1C ZINC000119189857 426269623 /nfs/dbraw/zinc/26/96/23/426269623.db2.gz APTGFNMLRMUIQO-UHFFFAOYSA-N 2 1 316.449 2.632 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc3c2OCCO3)C1 ZINC000174953469 426270459 /nfs/dbraw/zinc/27/04/59/426270459.db2.gz DWTJHAGUAPTIFF-HNNXBMFYSA-N 2 1 304.434 2.622 20 0 DFADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC)cc1 ZINC000151366257 426291816 /nfs/dbraw/zinc/29/18/16/426291816.db2.gz JIVIYJGLLVRLNJ-SFHVURJKSA-N 2 1 306.450 2.583 20 0 DFADMP CC(C)n1cc([C@@H](C)NCc2cccnc2-n2ccnc2)cn1 ZINC000151538095 426300922 /nfs/dbraw/zinc/30/09/22/426300922.db2.gz DRXNIVVBXMTAMZ-CQSZACIVSA-N 2 1 310.405 2.896 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000120254162 426308128 /nfs/dbraw/zinc/30/81/28/426308128.db2.gz WVQHQBKHTXNDMW-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP C[N@@H+](CCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000151731509 426309720 /nfs/dbraw/zinc/30/97/20/426309720.db2.gz MRYDUGFUWCUMGJ-BZSNNMDCSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120697131 426313202 /nfs/dbraw/zinc/31/32/02/426313202.db2.gz QYYAUMOBJUNJOP-IIYDPXPESA-N 2 1 322.424 2.553 20 0 DFADMP CC(C)[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000151892285 426317386 /nfs/dbraw/zinc/31/73/86/426317386.db2.gz DUOSIYUMEMNATO-IEBWSBKVSA-N 2 1 303.494 2.999 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000175719273 426322866 /nfs/dbraw/zinc/32/28/66/426322866.db2.gz QREFSQKLAAAKAX-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000175719273 426322868 /nfs/dbraw/zinc/32/28/68/426322868.db2.gz QREFSQKLAAAKAX-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000175719273 426322870 /nfs/dbraw/zinc/32/28/70/426322870.db2.gz QREFSQKLAAAKAX-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175726607 426324396 /nfs/dbraw/zinc/32/43/96/426324396.db2.gz RHLVXLNGXLSEJV-GDBMZVCRSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175726607 426324398 /nfs/dbraw/zinc/32/43/98/426324398.db2.gz RHLVXLNGXLSEJV-GDBMZVCRSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175726607 426324399 /nfs/dbraw/zinc/32/43/99/426324399.db2.gz RHLVXLNGXLSEJV-GDBMZVCRSA-N 2 1 304.434 2.620 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000121233779 426327670 /nfs/dbraw/zinc/32/76/70/426327670.db2.gz QNYGDPVGWWAIBM-ZIFCJYIRSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000121233779 426327673 /nfs/dbraw/zinc/32/76/73/426327673.db2.gz QNYGDPVGWWAIBM-ZIFCJYIRSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000121233779 426327677 /nfs/dbraw/zinc/32/76/77/426327677.db2.gz QNYGDPVGWWAIBM-ZIFCJYIRSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000121233636 426328090 /nfs/dbraw/zinc/32/80/90/426328090.db2.gz QNYGDPVGWWAIBM-ZHALLVOQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000121233636 426328092 /nfs/dbraw/zinc/32/80/92/426328092.db2.gz QNYGDPVGWWAIBM-ZHALLVOQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000121233636 426328095 /nfs/dbraw/zinc/32/80/95/426328095.db2.gz QNYGDPVGWWAIBM-ZHALLVOQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121234127 426328323 /nfs/dbraw/zinc/32/83/23/426328323.db2.gz WOVZUGXDNJEFTM-UWVAXJGDSA-N 2 1 315.505 2.969 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585190 426329026 /nfs/dbraw/zinc/32/90/26/426329026.db2.gz NVRRXPYLBQOPSF-IRXDYDNUSA-N 2 1 311.514 2.591 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000121242331 426329475 /nfs/dbraw/zinc/32/94/75/426329475.db2.gz VXTUSAZGAZKAIE-JJRVBVJISA-N 2 1 300.450 2.663 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000152192838 426331088 /nfs/dbraw/zinc/33/10/88/426331088.db2.gz GEFFGBOPBIWHRA-VHSXEESVSA-N 2 1 307.385 2.777 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152212507 426332254 /nfs/dbraw/zinc/33/22/54/426332254.db2.gz GALIRLNRTSAZFC-ZJUUUORDSA-N 2 1 307.385 2.634 20 0 DFADMP C[N@@H+](CC1=CCCOC1)C1CCN(Cc2ccccc2)CC1 ZINC000119327713 426279302 /nfs/dbraw/zinc/27/93/02/426279302.db2.gz HLFQUFQELYBVEW-UHFFFAOYSA-N 2 1 300.446 2.930 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000089150236 426281429 /nfs/dbraw/zinc/28/14/29/426281429.db2.gz DHXBRUVOSVLVTE-RNCFNFMXSA-N 2 1 301.203 2.805 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000151275080 426286825 /nfs/dbraw/zinc/28/68/25/426286825.db2.gz UHQLLNIDXSNUBD-ROUUACIJSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCC2 ZINC000151272261 426287465 /nfs/dbraw/zinc/28/74/65/426287465.db2.gz SJLDSKHQFOSTCG-BEFAXECRSA-N 2 1 302.462 2.673 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000122830194 426397186 /nfs/dbraw/zinc/39/71/86/426397186.db2.gz VZPLBBDPJQJQSF-KKUMJFAQSA-N 2 1 313.486 2.608 20 0 DFADMP CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000152378594 426341818 /nfs/dbraw/zinc/34/18/18/426341818.db2.gz PBCQJWULQIKSLQ-ZDUSSCGKSA-N 2 1 324.852 2.885 20 0 DFADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000152378594 426341820 /nfs/dbraw/zinc/34/18/20/426341820.db2.gz PBCQJWULQIKSLQ-ZDUSSCGKSA-N 2 1 324.852 2.885 20 0 DFADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@H]1CCC[NH+](C)C1 ZINC000152378594 426341823 /nfs/dbraw/zinc/34/18/23/426341823.db2.gz PBCQJWULQIKSLQ-ZDUSSCGKSA-N 2 1 324.852 2.885 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596577 426348192 /nfs/dbraw/zinc/34/81/92/426348192.db2.gz PQKLVWATHFSVCJ-GPMSIDNRSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596577 426348194 /nfs/dbraw/zinc/34/81/94/426348194.db2.gz PQKLVWATHFSVCJ-GPMSIDNRSA-N 2 1 312.461 2.750 20 0 DFADMP COCC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152728427 426351017 /nfs/dbraw/zinc/35/10/17/426351017.db2.gz MHJOQCXGSGETIW-OAHLLOKOSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152786912 426354044 /nfs/dbraw/zinc/35/40/44/426354044.db2.gz YBSXRQJSDVCFQR-MPGHIAIKSA-N 2 1 305.441 2.582 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C)noc2C)CC1 ZINC000122196741 426363727 /nfs/dbraw/zinc/36/37/27/426363727.db2.gz OBGRUCZQNGXGAG-UHFFFAOYSA-N 2 1 323.481 2.862 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)CC[N@@H+]1C ZINC000123206500 426419517 /nfs/dbraw/zinc/41/95/17/426419517.db2.gz NIIKIZRRDLRNGS-ZIAGYGMSSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)CC[N@H+]1C ZINC000123206500 426419521 /nfs/dbraw/zinc/41/95/21/426419521.db2.gz NIIKIZRRDLRNGS-ZIAGYGMSSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2F)CC[NH+]1C ZINC000123206500 426419525 /nfs/dbraw/zinc/41/95/25/426419525.db2.gz NIIKIZRRDLRNGS-ZIAGYGMSSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)CC[NH+]1C ZINC000123206500 426419527 /nfs/dbraw/zinc/41/95/27/426419527.db2.gz NIIKIZRRDLRNGS-ZIAGYGMSSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)CC[N@@H+]1C ZINC000123207037 426420611 /nfs/dbraw/zinc/42/06/11/426420611.db2.gz NIIKIZRRDLRNGS-KGLIPLIRSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)CC[N@H+]1C ZINC000123207037 426420616 /nfs/dbraw/zinc/42/06/16/426420616.db2.gz NIIKIZRRDLRNGS-KGLIPLIRSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2F)CC[NH+]1C ZINC000123207037 426420621 /nfs/dbraw/zinc/42/06/21/426420621.db2.gz NIIKIZRRDLRNGS-KGLIPLIRSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)CC[NH+]1C ZINC000123207037 426420625 /nfs/dbraw/zinc/42/06/25/426420625.db2.gz NIIKIZRRDLRNGS-KGLIPLIRSA-N 2 1 307.413 2.569 20 0 DFADMP C[NH+](C)[C@@H](CNC1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000154135227 426425656 /nfs/dbraw/zinc/42/56/56/426425656.db2.gz NSLGJGAZXBFLLZ-KRWDZBQOSA-N 2 1 305.466 2.879 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c(F)c1 ZINC000340638341 268994004 /nfs/dbraw/zinc/99/40/04/268994004.db2.gz HWEGFPGZQCYGNV-UHFFFAOYSA-N 2 1 321.440 2.736 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000154449522 426441758 /nfs/dbraw/zinc/44/17/58/426441758.db2.gz FWOJTNVCBGNZNO-IBGZPJMESA-N 2 1 319.468 2.820 20 0 DFADMP C[C@H](O)C[N@@H+](Cc1ccc(-n2ccnc2)nc1)C1CCCCC1 ZINC000177103950 426443720 /nfs/dbraw/zinc/44/37/20/426443720.db2.gz MBMMOSOTPJCJOF-HNNXBMFYSA-N 2 1 314.433 2.783 20 0 DFADMP COC(=O)c1occc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123621411 426443936 /nfs/dbraw/zinc/44/39/36/426443936.db2.gz QCDNLIBTSQCSCK-UHFFFAOYSA-N 2 1 308.422 2.620 20 0 DFADMP C[C@@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000177302850 426465451 /nfs/dbraw/zinc/46/54/51/426465451.db2.gz WEDBYGGZPJOTQZ-SFHVURJKSA-N 2 1 303.494 2.625 20 0 DFADMP C[NH+]1CCC([NH2+]CCOc2ccccc2C(F)(F)F)CC1 ZINC000177314624 426467423 /nfs/dbraw/zinc/46/74/23/426467423.db2.gz DJOJGYQQGXOKSV-UHFFFAOYSA-N 2 1 302.340 2.768 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1F ZINC000124315959 426479799 /nfs/dbraw/zinc/47/97/99/426479799.db2.gz BKAVPYNXNXUVDI-OAHLLOKOSA-N 2 1 307.457 2.750 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000177461011 426481269 /nfs/dbraw/zinc/48/12/69/426481269.db2.gz KNHDNZMHGCJQRG-DOTOQJQBSA-N 2 1 309.498 2.628 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000124369154 426481324 /nfs/dbraw/zinc/48/13/24/426481324.db2.gz GCJSPLAYLKXODP-LJQANCHMSA-N 2 1 301.478 2.537 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000124369608 426481611 /nfs/dbraw/zinc/48/16/11/426481611.db2.gz BYCBWWYGWFITFQ-UONOGXRCSA-N 2 1 304.434 2.839 20 0 DFADMP CC[NH+](CC)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272365336 426507363 /nfs/dbraw/zinc/50/73/63/426507363.db2.gz OBBSNNPJHVJEHH-MJGOQNOKSA-N 2 1 303.494 2.828 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOCC(F)(F)F)C2)[nH+]1 ZINC000195516325 426533918 /nfs/dbraw/zinc/53/39/18/426533918.db2.gz RUWNYWQLDYBSQI-CYBMUJFWSA-N 2 1 317.355 2.703 20 0 DFADMP C[N@H+](C[C@@H](O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264333178 426538342 /nfs/dbraw/zinc/53/83/42/426538342.db2.gz AFMGKHSSUTXNMY-GOSISDBHSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](C[C@@H](O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264333178 426538346 /nfs/dbraw/zinc/53/83/46/426538346.db2.gz AFMGKHSSUTXNMY-GOSISDBHSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]([NH2+]CC1(O)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272554930 426555321 /nfs/dbraw/zinc/55/53/21/426555321.db2.gz TVCZRAVREMHHHC-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272537247 426551641 /nfs/dbraw/zinc/55/16/41/426551641.db2.gz RLMUSIKGXREWJD-AITUJVMLSA-N 2 1 302.462 2.790 20 0 DFADMP CCCn1nc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1C ZINC000177577433 426496780 /nfs/dbraw/zinc/49/67/80/426496780.db2.gz LFLUXNSUSXCFHK-CYBMUJFWSA-N 2 1 303.454 2.841 20 0 DFADMP CCC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195025894 426499031 /nfs/dbraw/zinc/49/90/31/426499031.db2.gz IBGZYDUJOPJIPD-KRWDZBQOSA-N 2 1 313.449 2.606 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000195135920 426501675 /nfs/dbraw/zinc/50/16/75/426501675.db2.gz XQICSZKVXIJUAK-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000195135920 426501676 /nfs/dbraw/zinc/50/16/76/426501676.db2.gz XQICSZKVXIJUAK-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000195135920 426501678 /nfs/dbraw/zinc/50/16/78/426501678.db2.gz XQICSZKVXIJUAK-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C12CCOCC2 ZINC000186321559 426503643 /nfs/dbraw/zinc/50/36/43/426503643.db2.gz TXBQMSOKKWMWIX-OKZBNKHCSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cn[nH]c1 ZINC000272602691 426569918 /nfs/dbraw/zinc/56/99/18/426569918.db2.gz URUICGMQZVVDJR-RGIVZKHGSA-N 2 1 310.445 2.971 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000280452810 426579739 /nfs/dbraw/zinc/57/97/39/426579739.db2.gz YZBXORSKXDJOAW-UHFFFAOYSA-N 2 1 302.397 2.587 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000178256298 426594858 /nfs/dbraw/zinc/59/48/58/426594858.db2.gz NJZAHRNGLFGICT-JLCFBVMHSA-N 2 1 320.502 2.949 20 0 DFADMP C[C@@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000178278506 426597410 /nfs/dbraw/zinc/59/74/10/426597410.db2.gz ZUKWTLKPHMMNBT-CVEARBPZSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CCCO)CC2)c2ccccc2[nH+]1 ZINC000265222932 426599443 /nfs/dbraw/zinc/59/94/43/426599443.db2.gz OUWMXKQLWJNKRE-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1C ZINC000273162146 426604388 /nfs/dbraw/zinc/60/43/88/426604388.db2.gz KQXWHKMXAODTQA-INIZCTEOSA-N 2 1 320.477 2.809 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272574355 426562501 /nfs/dbraw/zinc/56/25/01/426562501.db2.gz PNAPAPPLOAJKHT-NCXUSEDFSA-N 2 1 302.462 2.504 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccccc2C(=O)OC)CC1 ZINC000187119118 426631430 /nfs/dbraw/zinc/63/14/30/426631430.db2.gz OXHRDAUGZOKCCY-UHFFFAOYSA-N 2 1 318.461 2.822 20 0 DFADMP CSC1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000289341368 426632708 /nfs/dbraw/zinc/63/27/08/426632708.db2.gz WDXAFPAYVUPVCU-HNNXBMFYSA-N 2 1 320.502 2.893 20 0 DFADMP CSC1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CC1 ZINC000289341368 426632713 /nfs/dbraw/zinc/63/27/13/426632713.db2.gz WDXAFPAYVUPVCU-HNNXBMFYSA-N 2 1 320.502 2.893 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc2ccccc2n1)CC[NH+](C)C ZINC000289363384 426635751 /nfs/dbraw/zinc/63/57/51/426635751.db2.gz HODHUUADEVQHEO-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2ccccc2s1 ZINC000273331426 426645682 /nfs/dbraw/zinc/64/56/82/426645682.db2.gz RFQVEIVPTDLSHW-UHFFFAOYSA-N 2 1 317.502 2.971 20 0 DFADMP CCCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000178522983 426647003 /nfs/dbraw/zinc/64/70/03/426647003.db2.gz PLDXUJUAVAMHSD-INIZCTEOSA-N 2 1 320.477 2.973 20 0 DFADMP CCN(C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000290067859 426686683 /nfs/dbraw/zinc/68/66/83/426686683.db2.gz TWYVCROHFKQMRZ-YOEHRIQHSA-N 2 1 306.450 2.533 20 0 DFADMP CC[N@H+](C[C@@H](O)CN(C)C1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000290067859 426686690 /nfs/dbraw/zinc/68/66/90/426686690.db2.gz TWYVCROHFKQMRZ-YOEHRIQHSA-N 2 1 306.450 2.533 20 0 DFADMP CC[N@@H+](C[C@@H](O)CN(C)C1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000290067859 426686695 /nfs/dbraw/zinc/68/66/95/426686695.db2.gz TWYVCROHFKQMRZ-YOEHRIQHSA-N 2 1 306.450 2.533 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000236910943 426686903 /nfs/dbraw/zinc/68/69/03/426686903.db2.gz XMZQTLRIQHYXSU-CGTJXYLNSA-N 2 1 317.477 2.703 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000280820485 426663460 /nfs/dbraw/zinc/66/34/60/426663460.db2.gz KAARZWNUMPHQIY-IBGZPJMESA-N 2 1 316.493 2.540 20 0 DFADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000289864232 426674612 /nfs/dbraw/zinc/67/46/12/426674612.db2.gz GRACLFODBRHARE-ZWKOTPCHSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000178707689 426680339 /nfs/dbraw/zinc/68/03/39/426680339.db2.gz XJRNSSUDUVSHNX-CABCVRRESA-N 2 1 324.432 2.759 20 0 DFADMP Cc1nc(C)c(C[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)s1 ZINC000178426665 426626311 /nfs/dbraw/zinc/62/63/11/426626311.db2.gz DSHZWKQSUPQPMS-AWEZNQCLSA-N 2 1 304.463 2.948 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[NH+](C)CC2)cc1 ZINC000265374471 426626532 /nfs/dbraw/zinc/62/65/32/426626532.db2.gz ZLMJUOWLMNALTP-UHFFFAOYSA-N 2 1 317.477 2.696 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1 ZINC000265374471 426626535 /nfs/dbraw/zinc/62/65/35/426626535.db2.gz ZLMJUOWLMNALTP-UHFFFAOYSA-N 2 1 317.477 2.696 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1 ZINC000265374471 426626538 /nfs/dbraw/zinc/62/65/38/426626538.db2.gz ZLMJUOWLMNALTP-UHFFFAOYSA-N 2 1 317.477 2.696 20 0 DFADMP Cc1cc(-c2noc([C@@H](C)[NH2+]CCn3ccnc3)n2)ccc1F ZINC000273262746 426630062 /nfs/dbraw/zinc/63/00/62/426630062.db2.gz CJNBJPVPXDTZCD-GFCCVEGCSA-N 2 1 315.352 2.731 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000273260699 426630403 /nfs/dbraw/zinc/63/04/03/426630403.db2.gz XXAAHVRPGCUSFD-IBGZPJMESA-N 2 1 304.478 2.785 20 0 DFADMP COc1cncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000290086328 426689396 /nfs/dbraw/zinc/68/93/96/426689396.db2.gz WWFAOALPHJJZBZ-GOEBONIOSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000290086328 426689399 /nfs/dbraw/zinc/68/93/99/426689399.db2.gz WWFAOALPHJJZBZ-GOEBONIOSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C2([NH3+])CCCC2)cc1 ZINC000178845750 426706927 /nfs/dbraw/zinc/70/69/27/426706927.db2.gz RPNMIZZUOKRGMK-CYBMUJFWSA-N 2 1 312.417 2.629 20 0 DFADMP CCn1c(C)nnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178912134 426718704 /nfs/dbraw/zinc/71/87/04/426718704.db2.gz DLGPTNIGQPACGH-UHFFFAOYSA-N 2 1 319.497 2.694 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274520054 426785220 /nfs/dbraw/zinc/78/52/20/426785220.db2.gz NTZLKYGPKLTLAN-IPELMVKDSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178981117 426729234 /nfs/dbraw/zinc/72/92/34/426729234.db2.gz LEVKKLICUPPOLG-XLIONFOSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000178981117 426729240 /nfs/dbraw/zinc/72/92/40/426729240.db2.gz LEVKKLICUPPOLG-XLIONFOSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000178981117 426729245 /nfs/dbraw/zinc/72/92/45/426729245.db2.gz LEVKKLICUPPOLG-XLIONFOSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000178981117 426729247 /nfs/dbraw/zinc/72/92/47/426729247.db2.gz LEVKKLICUPPOLG-XLIONFOSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000178981117 426729253 /nfs/dbraw/zinc/72/92/53/426729253.db2.gz LEVKKLICUPPOLG-XLIONFOSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178981106 426729572 /nfs/dbraw/zinc/72/95/72/426729572.db2.gz LEVKKLICUPPOLG-YLJYHZDGSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000178981106 426729575 /nfs/dbraw/zinc/72/95/75/426729575.db2.gz LEVKKLICUPPOLG-YLJYHZDGSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000178981106 426729578 /nfs/dbraw/zinc/72/95/78/426729578.db2.gz LEVKKLICUPPOLG-YLJYHZDGSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000178981106 426729582 /nfs/dbraw/zinc/72/95/82/426729582.db2.gz LEVKKLICUPPOLG-YLJYHZDGSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000178981106 426729585 /nfs/dbraw/zinc/72/95/85/426729585.db2.gz LEVKKLICUPPOLG-YLJYHZDGSA-N 3 1 315.505 2.971 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H](C[NH2+]C)C2)cc1)C(C)C ZINC000178991447 426731879 /nfs/dbraw/zinc/73/18/79/426731879.db2.gz TVVLHKRWKUCODJ-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP C[N@H+](CCc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283419 426737661 /nfs/dbraw/zinc/73/76/61/426737661.db2.gz LYIJHWNIPRDVFC-NRFANRHFSA-N 2 1 324.468 2.798 20 0 DFADMP C[N@@H+](CCc1ccccc1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283419 426737665 /nfs/dbraw/zinc/73/76/65/426737665.db2.gz LYIJHWNIPRDVFC-NRFANRHFSA-N 2 1 324.468 2.798 20 0 DFADMP C[NH+](CCc1ccccc1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188283419 426737668 /nfs/dbraw/zinc/73/76/68/426737668.db2.gz LYIJHWNIPRDVFC-NRFANRHFSA-N 2 1 324.468 2.798 20 0 DFADMP C[NH+](CCc1ccccc1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188283419 426737671 /nfs/dbraw/zinc/73/76/71/426737671.db2.gz LYIJHWNIPRDVFC-NRFANRHFSA-N 2 1 324.468 2.798 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2OC)[C@@H](C)C1 ZINC000245423358 426737711 /nfs/dbraw/zinc/73/77/11/426737711.db2.gz JJFLKQGPKYZPDT-HOTGVXAUSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2OC)[C@@H](C)C1 ZINC000245423358 426737716 /nfs/dbraw/zinc/73/77/16/426737716.db2.gz JJFLKQGPKYZPDT-HOTGVXAUSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2OC)[C@@H](C)C1 ZINC000245423358 426737721 /nfs/dbraw/zinc/73/77/21/426737721.db2.gz JJFLKQGPKYZPDT-HOTGVXAUSA-N 2 1 306.450 2.736 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N(C)C[C@@H]1CCC[NH+]1CC)c1ccccc1 ZINC000245435425 426738522 /nfs/dbraw/zinc/73/85/22/426738522.db2.gz SUBDJGVCDHRKDR-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@@H]1CCC[NH+]1CC)c1ccccc1 ZINC000245435425 426738528 /nfs/dbraw/zinc/73/85/28/426738528.db2.gz SUBDJGVCDHRKDR-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000245435425 426738533 /nfs/dbraw/zinc/73/85/33/426738533.db2.gz SUBDJGVCDHRKDR-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000245435425 426738537 /nfs/dbraw/zinc/73/85/37/426738537.db2.gz SUBDJGVCDHRKDR-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245438456 426739506 /nfs/dbraw/zinc/73/95/06/426739506.db2.gz FHWUODODPRXTAI-JKSUJKDBSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245438456 426739510 /nfs/dbraw/zinc/73/95/10/426739510.db2.gz FHWUODODPRXTAI-JKSUJKDBSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245438456 426739513 /nfs/dbraw/zinc/73/95/13/426739513.db2.gz FHWUODODPRXTAI-JKSUJKDBSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245438456 426739517 /nfs/dbraw/zinc/73/95/17/426739517.db2.gz FHWUODODPRXTAI-JKSUJKDBSA-N 2 1 303.450 2.738 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328828 426743284 /nfs/dbraw/zinc/74/32/84/426743284.db2.gz DOSLKNHQFWMPRL-YJBOKZPZSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328828 426743287 /nfs/dbraw/zinc/74/32/87/426743287.db2.gz DOSLKNHQFWMPRL-YJBOKZPZSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328828 426743290 /nfs/dbraw/zinc/74/32/90/426743290.db2.gz DOSLKNHQFWMPRL-YJBOKZPZSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328828 426743295 /nfs/dbraw/zinc/74/32/95/426743295.db2.gz DOSLKNHQFWMPRL-YJBOKZPZSA-N 2 1 302.462 2.826 20 0 DFADMP COc1cccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1OC ZINC000290340633 426745069 /nfs/dbraw/zinc/74/50/69/426745069.db2.gz FKPGSFVRAVJYQG-GDBMZVCRSA-N 2 1 304.434 2.620 20 0 DFADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290348726 426748013 /nfs/dbraw/zinc/74/80/13/426748013.db2.gz FYBUYJKOAYWUIA-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290348726 426748015 /nfs/dbraw/zinc/74/80/15/426748015.db2.gz FYBUYJKOAYWUIA-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000290348726 426748019 /nfs/dbraw/zinc/74/80/19/426748019.db2.gz FYBUYJKOAYWUIA-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000290348726 426748020 /nfs/dbraw/zinc/74/80/20/426748020.db2.gz FYBUYJKOAYWUIA-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccnc1 ZINC000290375390 426752203 /nfs/dbraw/zinc/75/22/03/426752203.db2.gz RLRWAWMSERCWKQ-OAHLLOKOSA-N 2 1 314.433 2.658 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179104497 426752248 /nfs/dbraw/zinc/75/22/48/426752248.db2.gz JHBVOKFXGLXLLS-HNNXBMFYSA-N 2 1 324.900 2.803 20 0 DFADMP COCCCN1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179118838 426753373 /nfs/dbraw/zinc/75/33/73/426753373.db2.gz ACQJKKJCSBDOTP-CYBMUJFWSA-N 2 1 311.857 2.887 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179118838 426753377 /nfs/dbraw/zinc/75/33/77/426753377.db2.gz ACQJKKJCSBDOTP-CYBMUJFWSA-N 2 1 311.857 2.887 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)nc1 ZINC000179128955 426756377 /nfs/dbraw/zinc/75/63/77/426756377.db2.gz SVNHDBMQSAEQTC-KBPBESRZSA-N 2 1 323.868 2.887 20 0 DFADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000281782758 426765291 /nfs/dbraw/zinc/76/52/91/426765291.db2.gz XHDUBQWUXMCYGW-BLLLJJGKSA-N 2 1 315.392 2.870 20 0 DFADMP CC[C@@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245708973 426765307 /nfs/dbraw/zinc/76/53/07/426765307.db2.gz MZDPGYLUUBRRIW-CADBVGFASA-N 2 1 302.462 2.933 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2cccs2)n1 ZINC000179734443 426815604 /nfs/dbraw/zinc/81/56/04/426815604.db2.gz ZGVGNELHZZSVOO-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2cccs2)n1 ZINC000179734443 426815609 /nfs/dbraw/zinc/81/56/09/426815609.db2.gz ZGVGNELHZZSVOO-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2cccs2)n1 ZINC000179734443 426815611 /nfs/dbraw/zinc/81/56/11/426815611.db2.gz ZGVGNELHZZSVOO-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2cccs2)n1 ZINC000179734443 426815615 /nfs/dbraw/zinc/81/56/15/426815615.db2.gz ZGVGNELHZZSVOO-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000246386466 426828934 /nfs/dbraw/zinc/82/89/34/426828934.db2.gz JNARHDWAKCZWKI-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274750871 426829616 /nfs/dbraw/zinc/82/96/16/426829616.db2.gz HKHWQZYUMGCHFP-XLIONFOSSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274750871 426829620 /nfs/dbraw/zinc/82/96/20/426829620.db2.gz HKHWQZYUMGCHFP-XLIONFOSSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274750871 426829623 /nfs/dbraw/zinc/82/96/23/426829623.db2.gz HKHWQZYUMGCHFP-XLIONFOSSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282124905 426834421 /nfs/dbraw/zinc/83/44/21/426834421.db2.gz AZKJWPGZWOBZRL-MAUKXSAKSA-N 2 1 301.478 2.536 20 0 DFADMP COc1c(Br)cccc1C[NH2+]CCn1cc[nH+]c1C ZINC000274791830 426838203 /nfs/dbraw/zinc/83/82/03/426838203.db2.gz MOFDCHMKCPVOPX-UHFFFAOYSA-N 2 1 324.222 2.752 20 0 DFADMP COC(C)(C)C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170643 426840197 /nfs/dbraw/zinc/84/01/97/426840197.db2.gz VBDSXHNZKJDUCY-BZSNNMDCSA-N 2 1 302.462 2.912 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282145473 426840293 /nfs/dbraw/zinc/84/02/93/426840293.db2.gz CJBVZEHLDOCCRN-MRXNPFEDSA-N 2 1 303.494 2.926 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2cccs2)n1 ZINC000180230872 426846586 /nfs/dbraw/zinc/84/65/86/426846586.db2.gz QGUDBKRYSVYPDS-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2cccs2)n1 ZINC000180230872 426846591 /nfs/dbraw/zinc/84/65/91/426846591.db2.gz QGUDBKRYSVYPDS-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cc1ccc(CC[C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282180181 426847218 /nfs/dbraw/zinc/84/72/18/426847218.db2.gz FOFQDLNAPDCUIP-GOSISDBHSA-N 2 1 317.521 2.932 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000179469965 426792761 /nfs/dbraw/zinc/79/27/61/426792761.db2.gz UHFHMSARYALNMS-AWEZNQCLSA-N 2 1 324.469 2.817 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](C)CNC(=O)OC(C)(C)C ZINC000179469965 426792766 /nfs/dbraw/zinc/79/27/66/426792766.db2.gz UHFHMSARYALNMS-AWEZNQCLSA-N 2 1 324.469 2.817 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563547 426793200 /nfs/dbraw/zinc/79/32/00/426793200.db2.gz SLZXGORMCGBFLE-MOPGFXCFSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563547 426793207 /nfs/dbraw/zinc/79/32/07/426793207.db2.gz SLZXGORMCGBFLE-MOPGFXCFSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563547 426793211 /nfs/dbraw/zinc/79/32/11/426793211.db2.gz SLZXGORMCGBFLE-MOPGFXCFSA-N 2 1 314.473 2.970 20 0 DFADMP Cc1c[nH]nc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000291573790 426916299 /nfs/dbraw/zinc/91/62/99/426916299.db2.gz OBQBFWXMWHDLIR-IBGZPJMESA-N 2 1 310.445 2.816 20 0 DFADMP Cc1cn[nH]c1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000291573790 426916304 /nfs/dbraw/zinc/91/63/04/426916304.db2.gz OBQBFWXMWHDLIR-IBGZPJMESA-N 2 1 310.445 2.816 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000247224811 426916799 /nfs/dbraw/zinc/91/67/99/426916799.db2.gz XWVLVHQHKVBVLR-LPHOPBHVSA-N 2 1 312.461 2.735 20 0 DFADMP CC[C@](C)(O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310024969 426919257 /nfs/dbraw/zinc/91/92/57/426919257.db2.gz UFRHMTBWXGVTOG-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310024969 426919262 /nfs/dbraw/zinc/91/92/62/426919262.db2.gz UFRHMTBWXGVTOG-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310024969 426919269 /nfs/dbraw/zinc/91/92/69/426919269.db2.gz UFRHMTBWXGVTOG-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954998 426920265 /nfs/dbraw/zinc/92/02/65/426920265.db2.gz IEZZAPMJLTYDHO-QRVBRYPASA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954998 426920270 /nfs/dbraw/zinc/92/02/70/426920270.db2.gz IEZZAPMJLTYDHO-QRVBRYPASA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954998 426920274 /nfs/dbraw/zinc/92/02/74/426920274.db2.gz IEZZAPMJLTYDHO-QRVBRYPASA-N 2 1 300.446 2.619 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1(C)C ZINC000282267382 426866963 /nfs/dbraw/zinc/86/69/63/426866963.db2.gz KIAUKCVFRJCNLI-SFHVURJKSA-N 2 1 319.468 2.819 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000246809997 426867273 /nfs/dbraw/zinc/86/72/73/426867273.db2.gz AOGDSUXIGWAICU-YWTNHNAXSA-N 2 1 301.478 2.831 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000180521166 426867270 /nfs/dbraw/zinc/86/72/70/426867270.db2.gz PKNLMTQTHUPQPB-KBUPBQIOSA-N 2 1 313.486 2.608 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282282499 426871765 /nfs/dbraw/zinc/87/17/65/426871765.db2.gz PRICNWHPVGECKA-UHFFFAOYSA-N 2 1 306.479 2.970 20 0 DFADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000275609926 426876683 /nfs/dbraw/zinc/87/66/83/426876683.db2.gz RBEVPTQRPFCGCD-AWEZNQCLSA-N 2 1 304.413 2.500 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000305125450 426882468 /nfs/dbraw/zinc/88/24/68/426882468.db2.gz KZZOEMBZSFYWSI-SUMDDJOVSA-N 2 1 302.462 2.746 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000305135985 426884488 /nfs/dbraw/zinc/88/44/88/426884488.db2.gz ONAUVGSBULDPDG-HUUCEWRRSA-N 2 1 323.506 2.655 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000275646385 426885486 /nfs/dbraw/zinc/88/54/86/426885486.db2.gz UBPMUUCIZLCATK-OCCSQVGLSA-N 2 1 318.446 2.543 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1)C2 ZINC000275648422 426886501 /nfs/dbraw/zinc/88/65/01/426886501.db2.gz UEUBUWDYFFGQLC-AWEZNQCLSA-N 2 1 307.401 2.625 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000314006013 426925538 /nfs/dbraw/zinc/92/55/38/426925538.db2.gz QAVAENVFTDVOSD-CYBMUJFWSA-N 2 1 303.406 2.721 20 0 DFADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282350002 426888491 /nfs/dbraw/zinc/88/84/91/426888491.db2.gz PEUPBKCLVRRTHC-QGZVFWFLSA-N 2 1 303.494 2.980 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000305164724 426889412 /nfs/dbraw/zinc/88/94/12/426889412.db2.gz XYRCJSRUGYKQGB-ZBFHGGJFSA-N 2 1 308.491 2.952 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@@H](C)C1 ZINC000247068016 426897304 /nfs/dbraw/zinc/89/73/04/426897304.db2.gz ODWDRIZPRKSFIX-WBAXXEDZSA-N 2 1 307.457 2.748 20 0 DFADMP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000247068016 426897311 /nfs/dbraw/zinc/89/73/11/426897311.db2.gz ODWDRIZPRKSFIX-WBAXXEDZSA-N 2 1 307.457 2.748 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000247068016 426897319 /nfs/dbraw/zinc/89/73/19/426897319.db2.gz ODWDRIZPRKSFIX-WBAXXEDZSA-N 2 1 307.457 2.748 20 0 DFADMP c1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000275690964 426899053 /nfs/dbraw/zinc/89/90/53/426899053.db2.gz WYGLXIFEBBGNSA-XLAORIBOSA-N 2 1 301.434 2.518 20 0 DFADMP CC[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000247080014 426901353 /nfs/dbraw/zinc/90/13/53/426901353.db2.gz SYZIPMKQUBECGI-USTZCAOPSA-N 2 1 312.498 2.765 20 0 DFADMP CC[C@@H]1C[N@H+](CCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000247080014 426901361 /nfs/dbraw/zinc/90/13/61/426901361.db2.gz SYZIPMKQUBECGI-USTZCAOPSA-N 2 1 312.498 2.765 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@@H](C)O1 ZINC000247080014 426901366 /nfs/dbraw/zinc/90/13/66/426901366.db2.gz SYZIPMKQUBECGI-USTZCAOPSA-N 2 1 312.498 2.765 20 0 DFADMP CC[N@H+]1CCC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000337659331 426905866 /nfs/dbraw/zinc/90/58/66/426905866.db2.gz POUXZNINPXDCLH-HXUWFJFHSA-N 2 1 315.505 2.767 20 0 DFADMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189346 426913542 /nfs/dbraw/zinc/91/35/42/426913542.db2.gz VQVPEPVIDAPFJZ-PXNSSMCTSA-N 2 1 315.505 2.755 20 0 DFADMP CC[NH+]1CC[C@H](NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189346 426913550 /nfs/dbraw/zinc/91/35/50/426913550.db2.gz VQVPEPVIDAPFJZ-PXNSSMCTSA-N 2 1 315.505 2.755 20 0 DFADMP CC[NH+]1CC[C@H](NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189346 426913556 /nfs/dbraw/zinc/91/35/56/426913556.db2.gz VQVPEPVIDAPFJZ-PXNSSMCTSA-N 2 1 315.505 2.755 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189346 426913562 /nfs/dbraw/zinc/91/35/62/426913562.db2.gz VQVPEPVIDAPFJZ-PXNSSMCTSA-N 2 1 315.505 2.755 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189346 426913565 /nfs/dbraw/zinc/91/35/65/426913565.db2.gz VQVPEPVIDAPFJZ-PXNSSMCTSA-N 2 1 315.505 2.755 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc1OC(F)F ZINC000291676305 426949536 /nfs/dbraw/zinc/94/95/36/426949536.db2.gz HEJUQBSLIQKWGU-LLVKDONJSA-N 2 1 302.365 2.584 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)O[C@@H](C)C2 ZINC000316996991 426951903 /nfs/dbraw/zinc/95/19/03/426951903.db2.gz MSDRFCLHNSVMQP-IHRRRGAJSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)O[C@@H](C)C2 ZINC000316996991 426951910 /nfs/dbraw/zinc/95/19/10/426951910.db2.gz MSDRFCLHNSVMQP-IHRRRGAJSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1[NH3+] ZINC000316909268 426952837 /nfs/dbraw/zinc/95/28/37/426952837.db2.gz VHBCBNNTYYNLLS-QWHCGFSZSA-N 2 1 320.462 2.790 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337758766 426957199 /nfs/dbraw/zinc/95/71/99/426957199.db2.gz NOGYYKGKIVAQHP-AYBZRNKSSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337758766 426957203 /nfs/dbraw/zinc/95/72/03/426957203.db2.gz NOGYYKGKIVAQHP-AYBZRNKSSA-N 2 1 317.477 2.703 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000317830428 426957372 /nfs/dbraw/zinc/95/73/72/426957372.db2.gz WHZGXWJCGXCCCW-QYZOEREBSA-N 2 1 300.446 2.899 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000317830428 426957379 /nfs/dbraw/zinc/95/73/79/426957379.db2.gz WHZGXWJCGXCCCW-QYZOEREBSA-N 2 1 300.446 2.899 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)[C@H](C)C1 ZINC000247960605 426968796 /nfs/dbraw/zinc/96/87/96/426968796.db2.gz GELXSTLMFXDLPQ-IOASZLSFSA-N 2 1 304.438 2.558 20 0 DFADMP CCOC(C[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)OCC ZINC000248395848 426994647 /nfs/dbraw/zinc/99/46/47/426994647.db2.gz JPEZKMPZJLHQLA-SJORKVTESA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)OCC ZINC000248395848 426994652 /nfs/dbraw/zinc/99/46/52/426994652.db2.gz JPEZKMPZJLHQLA-SJORKVTESA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)OCC ZINC000248395848 426994655 /nfs/dbraw/zinc/99/46/55/426994655.db2.gz JPEZKMPZJLHQLA-SJORKVTESA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)OCC ZINC000248395848 426994658 /nfs/dbraw/zinc/99/46/58/426994658.db2.gz JPEZKMPZJLHQLA-SJORKVTESA-N 2 1 312.498 2.972 20 0 DFADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n1 ZINC000295510556 426988541 /nfs/dbraw/zinc/98/85/41/426988541.db2.gz UUWINVFQSBGACJ-UHFFFAOYSA-N 2 1 314.433 2.615 20 0 DFADMP COc1nccc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n1 ZINC000295510556 426988548 /nfs/dbraw/zinc/98/85/48/426988548.db2.gz UUWINVFQSBGACJ-UHFFFAOYSA-N 2 1 314.433 2.615 20 0 DFADMP CCc1cccc(C[N@H+]2CCCC[C@H](N3CCN(C)CC3)C2)c1 ZINC000189720982 426931708 /nfs/dbraw/zinc/93/17/08/426931708.db2.gz WUDKYSYHBMLDHE-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1cccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000189720982 426931718 /nfs/dbraw/zinc/93/17/18/426931718.db2.gz WUDKYSYHBMLDHE-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1cccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000189720982 426931724 /nfs/dbraw/zinc/93/17/24/426931724.db2.gz WUDKYSYHBMLDHE-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP C[C@@H]1CC[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1n1ccnc1 ZINC000189721869 426932636 /nfs/dbraw/zinc/93/26/36/426932636.db2.gz OTZYAHSIBRDHBZ-NEPJUHHUSA-N 2 1 323.334 2.683 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC[N@@H+]1C ZINC000181327137 426938037 /nfs/dbraw/zinc/93/80/37/426938037.db2.gz PGIGKFMQWWARTO-AAEUAGOBSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC[N@H+]1C ZINC000181327137 426938045 /nfs/dbraw/zinc/93/80/45/426938045.db2.gz PGIGKFMQWWARTO-AAEUAGOBSA-N 2 1 317.355 2.552 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC000190002397 426996347 /nfs/dbraw/zinc/99/63/47/426996347.db2.gz QZJSSZYPZJIDIM-DNVCBOLYSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC000190002397 426996352 /nfs/dbraw/zinc/99/63/52/426996352.db2.gz QZJSSZYPZJIDIM-DNVCBOLYSA-N 2 1 319.493 2.925 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(CCO)CC1 ZINC000190003044 426996906 /nfs/dbraw/zinc/99/69/06/426996906.db2.gz IVRNVEITTHTUTH-UHFFFAOYSA-N 2 1 304.478 2.897 20 0 DFADMP CCCC[C@@H](COC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248445958 427001607 /nfs/dbraw/zinc/00/16/07/427001607.db2.gz MTGFCVJDNCJHMM-RBUKOAKNSA-N 2 1 320.477 2.548 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283408928 427010116 /nfs/dbraw/zinc/01/01/16/427010116.db2.gz QVESUJLQOLCCSX-SNRMKQJTSA-N 2 1 302.462 2.879 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000248583920 427015450 /nfs/dbraw/zinc/01/54/50/427015450.db2.gz WXGHQJMIFOEYKC-LSTHTHJFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000248583920 427015458 /nfs/dbraw/zinc/01/54/58/427015458.db2.gz WXGHQJMIFOEYKC-LSTHTHJFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000248583920 427015463 /nfs/dbraw/zinc/01/54/63/427015463.db2.gz WXGHQJMIFOEYKC-LSTHTHJFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CCNC(=O)CC[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000292027395 427061843 /nfs/dbraw/zinc/06/18/43/427061843.db2.gz GIANHBNBZSKTTE-WMZOPIPTSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000182159635 427017921 /nfs/dbraw/zinc/01/79/21/427017921.db2.gz WNPDFAMKCRACET-XYZKALLWSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000182159635 427017927 /nfs/dbraw/zinc/01/79/27/427017927.db2.gz WNPDFAMKCRACET-XYZKALLWSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCn1ccnc1 ZINC000276255466 427019228 /nfs/dbraw/zinc/01/92/28/427019228.db2.gz QKLLJHOJNZTGIZ-DZFIZOCASA-N 2 1 312.461 2.629 20 0 DFADMP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000248634227 427023918 /nfs/dbraw/zinc/02/39/18/427023918.db2.gz JKLHUIVAYKHNLO-JKSUJKDBSA-N 2 1 309.498 2.522 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000182216436 427027078 /nfs/dbraw/zinc/02/70/78/427027078.db2.gz UCBXKQOQFJXCIX-CVEARBPZSA-N 2 1 307.438 2.634 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000182216436 427027091 /nfs/dbraw/zinc/02/70/91/427027091.db2.gz UCBXKQOQFJXCIX-CVEARBPZSA-N 2 1 307.438 2.634 20 0 DFADMP C[C@@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000268542355 427047363 /nfs/dbraw/zinc/04/73/63/427047363.db2.gz LGIJGYMEPVTOKC-GJZGRUSLSA-N 2 1 322.416 2.931 20 0 DFADMP C[C@@H](c1cn(-c2ccccc2)nn1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000268542355 427047369 /nfs/dbraw/zinc/04/73/69/427047369.db2.gz LGIJGYMEPVTOKC-GJZGRUSLSA-N 2 1 322.416 2.931 20 0 DFADMP C[N@@H+](C[C@H]1CC=CCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190318786 427072168 /nfs/dbraw/zinc/07/21/68/427072168.db2.gz ANLQVIPFKNEHTI-AZUAARDMSA-N 2 1 314.473 2.912 20 0 DFADMP C[N@H+](C[C@H]1CC=CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190318786 427072172 /nfs/dbraw/zinc/07/21/72/427072172.db2.gz ANLQVIPFKNEHTI-AZUAARDMSA-N 2 1 314.473 2.912 20 0 DFADMP C[N@@H+](C[C@H]1CC=CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190318786 427072179 /nfs/dbraw/zinc/07/21/79/427072179.db2.gz ANLQVIPFKNEHTI-AZUAARDMSA-N 2 1 314.473 2.912 20 0 DFADMP C[NH+](C[C@H]1CC=CCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190318786 427072181 /nfs/dbraw/zinc/07/21/81/427072181.db2.gz ANLQVIPFKNEHTI-AZUAARDMSA-N 2 1 314.473 2.912 20 0 DFADMP C[NH+](C[C@H]1CC=CCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190318786 427072189 /nfs/dbraw/zinc/07/21/89/427072189.db2.gz ANLQVIPFKNEHTI-AZUAARDMSA-N 2 1 314.473 2.912 20 0 DFADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000249060679 427082848 /nfs/dbraw/zinc/08/28/48/427082848.db2.gz PFMJNQKMGBDBDS-OAGGEKHMSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@H](CNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC[C@H]1C ZINC000338002921 427086772 /nfs/dbraw/zinc/08/67/72/427086772.db2.gz SSDWUOKPPAZSFT-NQNKBUKLSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000338002921 427086780 /nfs/dbraw/zinc/08/67/80/427086780.db2.gz SSDWUOKPPAZSFT-NQNKBUKLSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000338002921 427086785 /nfs/dbraw/zinc/08/67/85/427086785.db2.gz SSDWUOKPPAZSFT-NQNKBUKLSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338021653 427098203 /nfs/dbraw/zinc/09/82/03/427098203.db2.gz XHHGNJWWQJDHKJ-NZSAHSFTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338021653 427098211 /nfs/dbraw/zinc/09/82/11/427098211.db2.gz XHHGNJWWQJDHKJ-NZSAHSFTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338021653 427098214 /nfs/dbraw/zinc/09/82/14/427098214.db2.gz XHHGNJWWQJDHKJ-NZSAHSFTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338021653 427098217 /nfs/dbraw/zinc/09/82/17/427098217.db2.gz XHHGNJWWQJDHKJ-NZSAHSFTSA-N 2 1 315.505 2.827 20 0 DFADMP O=C(C=Cc1c[nH]cn1)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000276574771 427104018 /nfs/dbraw/zinc/10/40/18/427104018.db2.gz KTJCQRGSLZTTFI-QZEKMECESA-N 2 1 324.428 2.594 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000296191466 427109165 /nfs/dbraw/zinc/10/91/65/427109165.db2.gz YOLFNFXLQSALDD-SFHVURJKSA-N 2 1 317.477 2.766 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C(C)(C)n1cncn1 ZINC000283993325 427113547 /nfs/dbraw/zinc/11/35/47/427113547.db2.gz HLTDWNSMERFFCB-MRXNPFEDSA-N 2 1 315.465 2.513 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000268786869 427114472 /nfs/dbraw/zinc/11/44/72/427114472.db2.gz BUVIPUZPYZZWOR-CYBMUJFWSA-N 2 1 316.392 2.907 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccccc1OC(F)F ZINC000268786869 427114477 /nfs/dbraw/zinc/11/44/77/427114477.db2.gz BUVIPUZPYZZWOR-CYBMUJFWSA-N 2 1 316.392 2.907 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc(OC)c1OC ZINC000268789331 427115101 /nfs/dbraw/zinc/11/51/01/427115101.db2.gz FXOLSXHMNJWIAQ-GFCCVEGCSA-N 2 1 319.405 2.568 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc(OC)c1OC ZINC000268789333 427116158 /nfs/dbraw/zinc/11/61/58/427116158.db2.gz FXOLSXHMNJWIAQ-LBPRGKRZSA-N 2 1 319.405 2.568 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000268795469 427118283 /nfs/dbraw/zinc/11/82/83/427118283.db2.gz HUCGMDJAFBCCKP-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000268795469 427118296 /nfs/dbraw/zinc/11/82/96/427118296.db2.gz HUCGMDJAFBCCKP-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000268795469 427118301 /nfs/dbraw/zinc/11/83/01/427118301.db2.gz HUCGMDJAFBCCKP-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000268795469 427118305 /nfs/dbraw/zinc/11/83/05/427118305.db2.gz HUCGMDJAFBCCKP-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000268823650 427127632 /nfs/dbraw/zinc/12/76/32/427127632.db2.gz OSEJWTZHFRQRMO-HOTGVXAUSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268818025 427127975 /nfs/dbraw/zinc/12/79/75/427127975.db2.gz WTDSZOWYKLUMQA-QFBILLFUSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268818025 427127978 /nfs/dbraw/zinc/12/79/78/427127978.db2.gz WTDSZOWYKLUMQA-QFBILLFUSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268829571 427131290 /nfs/dbraw/zinc/13/12/90/427131290.db2.gz QNJFUXYXJIJUEK-ZIFCJYIRSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268829571 427131295 /nfs/dbraw/zinc/13/12/95/427131295.db2.gz QNJFUXYXJIJUEK-ZIFCJYIRSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000296275920 427131972 /nfs/dbraw/zinc/13/19/72/427131972.db2.gz DWMTXIZEOYWWLU-HDMKZQKVSA-N 2 1 320.502 2.748 20 0 DFADMP C[C@H]1CSC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000296275920 427131978 /nfs/dbraw/zinc/13/19/78/427131978.db2.gz DWMTXIZEOYWWLU-HDMKZQKVSA-N 2 1 320.502 2.748 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000292208557 427131980 /nfs/dbraw/zinc/13/19/80/427131980.db2.gz SYXUXLLYNFPNLF-HXUWFJFHSA-N 2 1 323.440 2.806 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000268966871 427141640 /nfs/dbraw/zinc/14/16/40/427141640.db2.gz YPNUNSOHHXCEJZ-SJLPKXTDSA-N 2 1 318.461 2.727 20 0 DFADMP C[C@@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249737852 427142680 /nfs/dbraw/zinc/14/26/80/427142680.db2.gz HASIXLBVKBBKJG-LJISPDSOSA-N 2 1 323.506 2.728 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000268978315 427142959 /nfs/dbraw/zinc/14/29/59/427142959.db2.gz HJHRRFVYEYAWRL-CABCVRRESA-N 2 1 324.465 2.711 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1O ZINC000277296030 427153367 /nfs/dbraw/zinc/15/33/67/427153367.db2.gz USGPNEGLNOIJBP-BHYGNILZSA-N 2 1 318.461 2.938 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1O ZINC000277296030 427153372 /nfs/dbraw/zinc/15/33/72/427153372.db2.gz USGPNEGLNOIJBP-BHYGNILZSA-N 2 1 318.461 2.938 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000277296037 427155415 /nfs/dbraw/zinc/15/54/15/427155415.db2.gz USGPNEGLNOIJBP-UAGQMJEPSA-N 2 1 318.461 2.938 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1O ZINC000277296037 427155419 /nfs/dbraw/zinc/15/54/19/427155419.db2.gz USGPNEGLNOIJBP-UAGQMJEPSA-N 2 1 318.461 2.938 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000182856536 427156545 /nfs/dbraw/zinc/15/65/45/427156545.db2.gz OXXZDTVCHACCGS-BJKJVOPESA-N 2 1 323.868 2.575 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000182856536 427156549 /nfs/dbraw/zinc/15/65/49/427156549.db2.gz OXXZDTVCHACCGS-BJKJVOPESA-N 2 1 323.868 2.575 20 0 DFADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000284230216 427161492 /nfs/dbraw/zinc/16/14/92/427161492.db2.gz HSJGYOFRNHSMBC-WMZOPIPTSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000284230216 427161498 /nfs/dbraw/zinc/16/14/98/427161498.db2.gz HSJGYOFRNHSMBC-WMZOPIPTSA-N 2 1 312.461 2.729 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000158171972 271075100 /nfs/dbraw/zinc/07/51/00/271075100.db2.gz MBDSYTZLYCSQSJ-SJORKVTESA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000158171972 271075103 /nfs/dbraw/zinc/07/51/03/271075103.db2.gz MBDSYTZLYCSQSJ-SJORKVTESA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(C)(C)C[NH3+] ZINC000164590538 271094492 /nfs/dbraw/zinc/09/44/92/271094492.db2.gz CZVXLFGGGIQXMA-HNNXBMFYSA-N 2 1 317.477 2.662 20 0 DFADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000165005906 271094660 /nfs/dbraw/zinc/09/46/60/271094660.db2.gz URWPHYXLILXWHM-CRAIPNDOSA-N 2 1 317.477 2.703 20 0 DFADMP [NH3+]CCCCCCC(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000237988929 271254602 /nfs/dbraw/zinc/25/46/02/271254602.db2.gz DBCQCNLWXMOLQI-GOSISDBHSA-N 2 1 317.477 2.676 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000278600725 271319487 /nfs/dbraw/zinc/31/94/87/271319487.db2.gz IUSVCOBIMPRFTP-IRXDYDNUSA-N 2 1 305.491 2.588 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000278600725 271319491 /nfs/dbraw/zinc/31/94/91/271319491.db2.gz IUSVCOBIMPRFTP-IRXDYDNUSA-N 2 1 305.491 2.588 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000278600725 271319495 /nfs/dbraw/zinc/31/94/95/271319495.db2.gz IUSVCOBIMPRFTP-IRXDYDNUSA-N 2 1 305.491 2.588 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000278600725 271319497 /nfs/dbraw/zinc/31/94/97/271319497.db2.gz IUSVCOBIMPRFTP-IRXDYDNUSA-N 2 1 305.491 2.588 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000279471951 271322333 /nfs/dbraw/zinc/32/23/33/271322333.db2.gz JZYHSFZTHMKZGH-WKPIXPDZSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000279471951 271322334 /nfs/dbraw/zinc/32/23/34/271322334.db2.gz JZYHSFZTHMKZGH-WKPIXPDZSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000303394882 271364430 /nfs/dbraw/zinc/36/44/30/271364430.db2.gz XGRHAFKBAZGUTK-GTAWCEEGSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC000303394882 271364432 /nfs/dbraw/zinc/36/44/32/271364432.db2.gz XGRHAFKBAZGUTK-GTAWCEEGSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC000303394882 271364436 /nfs/dbraw/zinc/36/44/36/271364436.db2.gz XGRHAFKBAZGUTK-GTAWCEEGSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000303394882 271364438 /nfs/dbraw/zinc/36/44/38/271364438.db2.gz XGRHAFKBAZGUTK-GTAWCEEGSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000303394882 271364440 /nfs/dbraw/zinc/36/44/40/271364440.db2.gz XGRHAFKBAZGUTK-GTAWCEEGSA-N 2 1 313.489 2.866 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)no1 ZINC000333860830 271397200 /nfs/dbraw/zinc/39/72/00/271397200.db2.gz PVFGAGOJTGUEPW-DOTOQJQBSA-N 2 1 321.465 2.690 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000190773557 427178242 /nfs/dbraw/zinc/17/82/42/427178242.db2.gz JTLPNPFUQFCULU-IYBDPMFKSA-N 2 1 321.513 2.881 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000284311810 427178367 /nfs/dbraw/zinc/17/83/67/427178367.db2.gz PFRIQMIXOXKKMW-LJQANCHMSA-N 2 1 304.478 2.847 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cn1 ZINC000190799360 427181457 /nfs/dbraw/zinc/18/14/57/427181457.db2.gz CHARMORTIHSCIT-UHFFFAOYSA-N 2 1 304.482 2.890 20 0 DFADMP c1ccc(C[C@@H]([NH2+]CCC[NH+]2CCCC2)c2cccnc2)nc1 ZINC000338193701 427184113 /nfs/dbraw/zinc/18/41/13/427184113.db2.gz HLTHYHZXYRTZNU-LJQANCHMSA-N 2 1 310.445 2.836 20 0 DFADMP Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000284429720 427192813 /nfs/dbraw/zinc/19/28/13/427192813.db2.gz DAJXKDKFCXXNJY-QZTJIDSGSA-N 2 1 315.392 2.592 20 0 DFADMP CS[C@H]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000296507964 427202685 /nfs/dbraw/zinc/20/26/85/427202685.db2.gz ZPZMQYCIBHNVTK-ROUUACIJSA-N 2 1 320.502 2.715 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000269632000 427235180 /nfs/dbraw/zinc/23/51/80/427235180.db2.gz ICXLJXXNAIWVJF-QGZVFWFLSA-N 2 1 316.493 2.633 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000285472585 427242067 /nfs/dbraw/zinc/24/20/67/427242067.db2.gz AYOSKLZDISIWEL-RYUDHWBXSA-N 2 1 308.447 2.670 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000285472585 427242074 /nfs/dbraw/zinc/24/20/74/427242074.db2.gz AYOSKLZDISIWEL-RYUDHWBXSA-N 2 1 308.447 2.670 20 0 DFADMP CCc1ccccc1CC[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000277564651 427244331 /nfs/dbraw/zinc/24/43/31/427244331.db2.gz ASNUKQTXMZMCNG-HXUWFJFHSA-N 2 1 315.505 2.503 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCO[C@H]1CCCCO1 ZINC000338310600 427253221 /nfs/dbraw/zinc/25/32/21/427253221.db2.gz ZNQWRMGWMYYURV-SJORKVTESA-N 2 1 307.438 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCO[C@H]1CCCCO1 ZINC000338310600 427253227 /nfs/dbraw/zinc/25/32/27/427253227.db2.gz ZNQWRMGWMYYURV-SJORKVTESA-N 2 1 307.438 2.589 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000269723821 427264848 /nfs/dbraw/zinc/26/48/48/427264848.db2.gz VBYLTXMPUCQJOF-MRXNPFEDSA-N 2 1 309.360 2.525 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)c1ccc(F)cc1F ZINC000269723821 427264854 /nfs/dbraw/zinc/26/48/54/427264854.db2.gz VBYLTXMPUCQJOF-MRXNPFEDSA-N 2 1 309.360 2.525 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293291849 427276641 /nfs/dbraw/zinc/27/66/41/427276641.db2.gz OVZJRHCUPOTSKM-UHFFFAOYSA-N 2 1 317.408 2.712 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000293301895 427280454 /nfs/dbraw/zinc/28/04/54/427280454.db2.gz HUUAOWRKZHKJFX-HNNXBMFYSA-N 2 1 305.466 2.771 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000269804009 427280651 /nfs/dbraw/zinc/28/06/51/427280651.db2.gz KKRZORKODQVVHY-IHPCNDPISA-N 2 1 314.473 2.815 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000269804009 427280656 /nfs/dbraw/zinc/28/06/56/427280656.db2.gz KKRZORKODQVVHY-IHPCNDPISA-N 2 1 314.473 2.815 20 0 DFADMP CN(CCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@H]1O)Cc1ccco1 ZINC000285719677 427319618 /nfs/dbraw/zinc/31/96/18/427319618.db2.gz QBLPKYLZIVYGGN-RTBURBONSA-N 2 1 314.429 2.692 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000183726637 427327959 /nfs/dbraw/zinc/32/79/59/427327959.db2.gz AUHDLSRBMYQTBF-UONOGXRCSA-N 2 1 312.255 2.807 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cn1 ZINC000191221926 427289457 /nfs/dbraw/zinc/28/94/57/427289457.db2.gz BFORZFALSCYVCV-ALOPSCKCSA-N 2 1 302.466 2.643 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)Nc1ccccc1 ZINC000191517921 427371245 /nfs/dbraw/zinc/37/12/45/427371245.db2.gz CETPBBKITJSWFV-UHFFFAOYSA-N 2 1 314.433 2.796 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)Nc1ccccc1 ZINC000191517921 427371253 /nfs/dbraw/zinc/37/12/53/427371253.db2.gz CETPBBKITJSWFV-UHFFFAOYSA-N 2 1 314.433 2.796 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000338565894 427380856 /nfs/dbraw/zinc/38/08/56/427380856.db2.gz OMNRJMVCXZWNFU-FCGDIQPGSA-N 2 1 318.461 2.558 20 0 DFADMP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338563028 427381221 /nfs/dbraw/zinc/38/12/21/427381221.db2.gz HGXCWCDKBIJTOJ-ZBFHGGJFSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338563028 427381226 /nfs/dbraw/zinc/38/12/26/427381226.db2.gz HGXCWCDKBIJTOJ-ZBFHGGJFSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338563028 427381233 /nfs/dbraw/zinc/38/12/33/427381233.db2.gz HGXCWCDKBIJTOJ-ZBFHGGJFSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338563028 427381241 /nfs/dbraw/zinc/38/12/41/427381241.db2.gz HGXCWCDKBIJTOJ-ZBFHGGJFSA-N 2 1 308.466 2.524 20 0 DFADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cnc4ccc(Cl)cn34)C2)C1 ZINC000293617931 427382235 /nfs/dbraw/zinc/38/22/35/427382235.db2.gz KNLFORYFXKUSHX-QGZVFWFLSA-N 2 1 318.852 2.905 20 0 DFADMP C[C@@H]1[C@H](NC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000293613252 427383107 /nfs/dbraw/zinc/38/31/07/427383107.db2.gz GRDXMSPIFFCHCT-VQIMIIECSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1[C@H](NC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000293613252 427383111 /nfs/dbraw/zinc/38/31/11/427383111.db2.gz GRDXMSPIFFCHCT-VQIMIIECSA-N 2 1 301.478 2.723 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)C[NH3+])c1 ZINC000285951628 427384398 /nfs/dbraw/zinc/38/43/98/427384398.db2.gz GITSBRXNNQXIHP-OAHLLOKOSA-N 2 1 305.466 2.520 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccncc2)CC1 ZINC000191599644 427384907 /nfs/dbraw/zinc/38/49/07/427384907.db2.gz GWUPHUJEUKFRDS-LJQANCHMSA-N 2 1 316.493 2.635 20 0 DFADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000293623132 427385290 /nfs/dbraw/zinc/38/52/90/427385290.db2.gz FXHYGDOGDULFNV-ZYSHUDEJSA-N 2 1 302.462 2.912 20 0 DFADMP CCc1nc(C)cc(NC2CCN(Cc3ccncc3)CC2)n1 ZINC000285963045 427388180 /nfs/dbraw/zinc/38/81/80/427388180.db2.gz AOJRPKGGWUXCPF-UHFFFAOYSA-N 2 1 311.433 2.819 20 0 DFADMP C[C@H](O)C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297646302 427419165 /nfs/dbraw/zinc/41/91/65/427419165.db2.gz MZQCTOXEQRIXRH-RDJZCZTQSA-N 2 1 302.462 2.758 20 0 DFADMP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000293678790 427406112 /nfs/dbraw/zinc/40/61/12/427406112.db2.gz NCAJNRYKAWBBKQ-PMPSAXMXSA-N 2 1 303.425 2.621 20 0 DFADMP CCOCCC[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338636229 427419536 /nfs/dbraw/zinc/41/95/36/427419536.db2.gz NMZHXWYNONCDCW-HNNXBMFYSA-N 2 1 323.506 2.856 20 0 DFADMP Fc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000297503071 427407967 /nfs/dbraw/zinc/40/79/67/427407967.db2.gz VFLAXNBXTLACIS-OAHLLOKOSA-N 2 1 303.425 2.621 20 0 DFADMP CCOCCC[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338636229 427419544 /nfs/dbraw/zinc/41/95/44/427419544.db2.gz NMZHXWYNONCDCW-HNNXBMFYSA-N 2 1 323.506 2.856 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cscn3)CC2)nc(C)[nH+]1 ZINC000271125098 427410958 /nfs/dbraw/zinc/41/09/58/427410958.db2.gz KJZNJYKMNQQTGL-LBPRGKRZSA-N 2 1 317.462 2.870 20 0 DFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000331442990 427411037 /nfs/dbraw/zinc/41/10/37/427411037.db2.gz VZDCGJCDHXBQRX-ZFWWWQNUSA-N 2 1 305.422 2.884 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000331442990 427411043 /nfs/dbraw/zinc/41/10/43/427411043.db2.gz VZDCGJCDHXBQRX-ZFWWWQNUSA-N 2 1 305.422 2.884 20 0 DFADMP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000293711886 427414326 /nfs/dbraw/zinc/41/43/26/427414326.db2.gz MWMLCVWTXVBKQC-GJZGRUSLSA-N 2 1 313.367 2.859 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191462649 427356487 /nfs/dbraw/zinc/35/64/87/427356487.db2.gz CEDKHAJYSHOWLA-IRXDYDNUSA-N 2 1 311.514 2.735 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@H]12 ZINC000262443345 427360131 /nfs/dbraw/zinc/36/01/31/427360131.db2.gz GYCQTOZLGFIWLY-VNHYZAJKSA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@H]12 ZINC000262443345 427360136 /nfs/dbraw/zinc/36/01/36/427360136.db2.gz GYCQTOZLGFIWLY-VNHYZAJKSA-N 2 1 322.836 2.670 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000262528707 427361943 /nfs/dbraw/zinc/36/19/43/427361943.db2.gz HKVABRRTFDKQHL-ZOBUZTSGSA-N 2 1 323.868 2.719 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000262528707 427361951 /nfs/dbraw/zinc/36/19/51/427361951.db2.gz HKVABRRTFDKQHL-ZOBUZTSGSA-N 2 1 323.868 2.719 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000191495575 427362143 /nfs/dbraw/zinc/36/21/43/427362143.db2.gz WPTAHLAZVVDCHZ-UHFFFAOYSA-N 2 1 319.405 2.737 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(C(=O)OC)o1 ZINC000191495575 427362150 /nfs/dbraw/zinc/36/21/50/427362150.db2.gz WPTAHLAZVVDCHZ-UHFFFAOYSA-N 2 1 319.405 2.737 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2cnc3ccc(Cl)cn23)CC[N@H+]1C ZINC000271206534 427450898 /nfs/dbraw/zinc/45/08/98/427450898.db2.gz RWMOOAJMSCRNFN-TZMCWYRMSA-N 2 1 306.841 2.902 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)cs2)C1 ZINC000286197988 427451193 /nfs/dbraw/zinc/45/11/93/427451193.db2.gz RMWHBAXLHUHQPZ-CHWSQXEVSA-N 2 1 310.463 2.917 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(C(=O)OC)cs2)C1 ZINC000286197988 427451197 /nfs/dbraw/zinc/45/11/97/427451197.db2.gz RMWHBAXLHUHQPZ-CHWSQXEVSA-N 2 1 310.463 2.917 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CCN(Cc2ncccn2)CC1 ZINC000191985632 427455351 /nfs/dbraw/zinc/45/53/51/427455351.db2.gz JJQNZVNFCJDCTO-UHFFFAOYSA-N 2 1 310.445 2.821 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncccn2)CC1 ZINC000191985632 427455357 /nfs/dbraw/zinc/45/53/57/427455357.db2.gz JJQNZVNFCJDCTO-UHFFFAOYSA-N 2 1 310.445 2.821 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ncccn2)CC1 ZINC000191985632 427455364 /nfs/dbraw/zinc/45/53/64/427455364.db2.gz JJQNZVNFCJDCTO-UHFFFAOYSA-N 2 1 310.445 2.821 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000338726472 427457027 /nfs/dbraw/zinc/45/70/27/427457027.db2.gz RSSCYDNLEACMQM-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000192094088 427480869 /nfs/dbraw/zinc/48/08/69/427480869.db2.gz PFMJNQKMGBDBDS-OWCLPIDISA-N 2 1 317.477 2.518 20 0 DFADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338783315 427484985 /nfs/dbraw/zinc/48/49/85/427484985.db2.gz VEHWNKMALRYCMZ-RYQLBKOJSA-N 2 1 302.462 2.879 20 0 DFADMP C[N@@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)c2ccccc2C1 ZINC000184234193 427424365 /nfs/dbraw/zinc/42/43/65/427424365.db2.gz IJILJGAMXWMBOU-UHFFFAOYSA-N 2 1 315.461 2.764 20 0 DFADMP C[N@H+]1CCN(C(=O)CC2(C[NH3+])CCCCC2)c2ccccc2C1 ZINC000184234193 427424374 /nfs/dbraw/zinc/42/43/74/427424374.db2.gz IJILJGAMXWMBOU-UHFFFAOYSA-N 2 1 315.461 2.764 20 0 DFADMP COCCOc1ccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293776016 427432635 /nfs/dbraw/zinc/43/26/35/427432635.db2.gz YYXVWKKUJGWGMC-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293776016 427432641 /nfs/dbraw/zinc/43/26/41/427432641.db2.gz YYXVWKKUJGWGMC-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293776016 427432649 /nfs/dbraw/zinc/43/26/49/427432649.db2.gz YYXVWKKUJGWGMC-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP C[N@@H+](C[C@@H]1CCSC1)C1CCN(CCc2ccccn2)CC1 ZINC000278412429 427435852 /nfs/dbraw/zinc/43/58/52/427435852.db2.gz HGZQVRNKGLYAMM-INIZCTEOSA-N 2 1 319.518 2.773 20 0 DFADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000338686312 427437858 /nfs/dbraw/zinc/43/78/58/427437858.db2.gz FPWQJIMEXASJKL-ROUUACIJSA-N 2 1 316.445 2.852 20 0 DFADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000184361881 427445987 /nfs/dbraw/zinc/44/59/87/427445987.db2.gz NGWQIBHXNXDVSP-JKSUJKDBSA-N 2 1 303.450 2.542 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccccc32)CCCO1 ZINC000278608238 427446363 /nfs/dbraw/zinc/44/63/63/427446363.db2.gz RDRJGBHNUZBNMH-WMZOPIPTSA-N 2 1 318.461 2.991 20 0 DFADMP CN(CC[N@@H+](C)CCc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000298115181 427526287 /nfs/dbraw/zinc/52/62/87/427526287.db2.gz ORAAQCPNSDCKLD-UHFFFAOYSA-N 2 1 323.912 2.840 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000192517276 427555630 /nfs/dbraw/zinc/55/56/30/427555630.db2.gz KJYWTVKDBWNFSX-VYDXJSESSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000192517276 427555638 /nfs/dbraw/zinc/55/56/38/427555638.db2.gz KJYWTVKDBWNFSX-VYDXJSESSA-N 2 1 308.491 2.975 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CC[S@](C)=O)cc1 ZINC000271422968 427531448 /nfs/dbraw/zinc/53/14/48/427531448.db2.gz AUINACUPCICRRK-OKHZJLECSA-N 2 1 319.474 2.988 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C2 ZINC000192441814 427539399 /nfs/dbraw/zinc/53/93/99/427539399.db2.gz AFPRCMNHVWFGNS-YOEHRIQHSA-N 2 1 313.445 2.983 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@H](O)c1c(F)cccc1F ZINC000271449053 427540915 /nfs/dbraw/zinc/54/09/15/427540915.db2.gz FKMASLDVUXWQQL-LVRJZDEYSA-N 2 1 312.404 2.849 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H](O)c1c(F)cccc1F ZINC000271449053 427540918 /nfs/dbraw/zinc/54/09/18/427540918.db2.gz FKMASLDVUXWQQL-LVRJZDEYSA-N 2 1 312.404 2.849 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000271524077 427573401 /nfs/dbraw/zinc/57/34/01/427573401.db2.gz PVULXHYMCRSZII-WBAXXEDZSA-N 2 1 318.461 2.724 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000339009699 427623068 /nfs/dbraw/zinc/62/30/68/427623068.db2.gz GKXCITQSJHMAEP-JCGIZDLHSA-N 2 1 308.441 2.534 20 0 DFADMP COC(=O)c1cccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC000294214198 427588146 /nfs/dbraw/zinc/58/81/46/427588146.db2.gz MXSQKWXAHHBXOZ-QGZVFWFLSA-N 2 1 322.836 2.654 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271822374 427588869 /nfs/dbraw/zinc/58/88/69/427588869.db2.gz CQGMCBBLKCRANI-HNNXBMFYSA-N 2 1 304.434 2.624 20 0 DFADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287393867 427597643 /nfs/dbraw/zinc/59/76/43/427597643.db2.gz QIVKEDSLQSFNET-VQIMIIECSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2sccc2C1 ZINC000192751748 427601175 /nfs/dbraw/zinc/60/11/75/427601175.db2.gz MSZXAIGWVVVECV-HZTRTUMWSA-N 2 1 319.518 2.710 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000287405544 427602912 /nfs/dbraw/zinc/60/29/12/427602912.db2.gz JIBVUZSVKWTUMR-ZBFHGGJFSA-N 2 1 303.406 2.581 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000287405544 427602916 /nfs/dbraw/zinc/60/29/16/427602916.db2.gz JIBVUZSVKWTUMR-ZBFHGGJFSA-N 2 1 303.406 2.581 20 0 DFADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000185159166 427604255 /nfs/dbraw/zinc/60/42/55/427604255.db2.gz DNCZJYZLIOOGSW-UHFFFAOYSA-N 2 1 323.506 2.981 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000333546144 427645004 /nfs/dbraw/zinc/64/50/04/427645004.db2.gz IRPWGSMYKCYJOH-AWEZNQCLSA-N 2 1 312.417 2.701 20 0 DFADMP Cc1nn(C)cc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000279379543 427654817 /nfs/dbraw/zinc/65/48/17/427654817.db2.gz IWMIOSXBGBXIDB-UHFFFAOYSA-N 2 1 313.449 2.641 20 0 DFADMP COc1cc(C)nc(CN2CC[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000272167929 427656872 /nfs/dbraw/zinc/65/68/72/427656872.db2.gz VPLJCYRBDRRPGZ-IBGZPJMESA-N 2 1 311.429 2.887 20 0 DFADMP COc1cc(C)nc(CN2CCN(C)C[C@H]2c2ccccc2)c1 ZINC000272167929 427656877 /nfs/dbraw/zinc/65/68/77/427656877.db2.gz VPLJCYRBDRRPGZ-IBGZPJMESA-N 2 1 311.429 2.887 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164033 427658027 /nfs/dbraw/zinc/65/80/27/427658027.db2.gz GHBOMBZGYASNMM-WDSOQIARSA-N 2 1 302.462 2.913 20 0 DFADMP CCSc1cccc(C[NH2+]CCC[NH+]2CCC(O)CC2)c1 ZINC000185487820 427660435 /nfs/dbraw/zinc/66/04/35/427660435.db2.gz NRBWGIXOHZRXES-UHFFFAOYSA-N 2 1 308.491 2.735 20 0 DFADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc(O)cc(F)c1 ZINC000185499507 427664976 /nfs/dbraw/zinc/66/49/76/427664976.db2.gz HGXFXZNVQGMDAB-UHFFFAOYSA-N 2 1 318.392 2.762 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH3+])CCC2)cc1 ZINC000342578030 272027034 /nfs/dbraw/zinc/02/70/34/272027034.db2.gz CBQJSAHZFUNNOK-UHFFFAOYSA-N 2 1 303.450 2.530 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(C)C ZINC000342592651 272028600 /nfs/dbraw/zinc/02/86/00/272028600.db2.gz OUGJASAKKRGGTP-AWEZNQCLSA-N 2 1 306.454 2.623 20 0 DFADMP Cc1cc(NC[C@@H]2C[C@@H](F)C[N@@H+]2Cc2cccs2)cc[nH+]1 ZINC000342994215 272074298 /nfs/dbraw/zinc/07/42/98/272074298.db2.gz NXXXOKRVUQGILH-HIFRSBDPSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1cc(NC[C@@H]2C[C@@H](F)C[N@H+]2Cc2cccs2)cc[nH+]1 ZINC000342994215 272074301 /nfs/dbraw/zinc/07/43/01/272074301.db2.gz NXXXOKRVUQGILH-HIFRSBDPSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1cc(NC[C@@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)cc[nH+]1 ZINC000342994217 272074329 /nfs/dbraw/zinc/07/43/29/272074329.db2.gz NXXXOKRVUQGILH-ZFWWWQNUSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1cc(NC[C@@H]2C[C@H](F)C[N@H+]2Cc2cccs2)cc[nH+]1 ZINC000342994217 272074332 /nfs/dbraw/zinc/07/43/32/272074332.db2.gz NXXXOKRVUQGILH-ZFWWWQNUSA-N 2 1 305.422 2.898 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000272207631 427671173 /nfs/dbraw/zinc/67/11/73/427671173.db2.gz HFRSGVFMJPITIO-QAPCUYQASA-N 2 1 317.477 2.728 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000343465768 272153865 /nfs/dbraw/zinc/15/38/65/272153865.db2.gz JWCULMZQDXTKPR-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000343473892 272156029 /nfs/dbraw/zinc/15/60/29/272156029.db2.gz MBUXFBMEJUZKDT-HLIPFELVSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000295054599 427675219 /nfs/dbraw/zinc/67/52/19/427675219.db2.gz GBMBAYCBNPAGLZ-OJAHFUOMSA-N 2 1 316.489 2.895 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891609 272233313 /nfs/dbraw/zinc/23/33/13/272233313.db2.gz YVSKKWSJOIWMFQ-GJYPPUQNSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891609 272233314 /nfs/dbraw/zinc/23/33/14/272233314.db2.gz YVSKKWSJOIWMFQ-GJYPPUQNSA-N 2 1 319.468 2.845 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272239844 427680721 /nfs/dbraw/zinc/68/07/21/427680721.db2.gz WIEWOADNOFKVLG-MAUKXSAKSA-N 2 1 312.461 2.729 20 0 DFADMP COc1cccc([C@@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344028081 272251698 /nfs/dbraw/zinc/25/16/98/272251698.db2.gz MGIFAJWYBDUIMI-MRXNPFEDSA-N 2 1 307.482 2.572 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1 ZINC000344087309 272260553 /nfs/dbraw/zinc/26/05/53/272260553.db2.gz IKKLYHKJVMNXBI-LMMKCTJWSA-N 2 1 324.472 2.871 20 0 DFADMP Cc1cncc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000344096289 272262561 /nfs/dbraw/zinc/26/25/61/272262561.db2.gz SMWALQFICXCPEZ-OAHLLOKOSA-N 2 1 314.433 2.576 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344112585 272266149 /nfs/dbraw/zinc/26/61/49/272266149.db2.gz VBFOWBYRLBFBBO-PKOBYXMFSA-N 2 1 320.452 2.886 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000344243734 272295740 /nfs/dbraw/zinc/29/57/40/272295740.db2.gz VSYAONYXTUKSJT-GVDBMIGSSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000344243734 272295742 /nfs/dbraw/zinc/29/57/42/272295742.db2.gz VSYAONYXTUKSJT-GVDBMIGSSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000344243734 272295744 /nfs/dbraw/zinc/29/57/44/272295744.db2.gz VSYAONYXTUKSJT-GVDBMIGSSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000344291088 272306078 /nfs/dbraw/zinc/30/60/78/272306078.db2.gz HZOHDQIEQUBGKN-ZWKOTPCHSA-N 2 1 303.450 2.716 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000344291088 272306081 /nfs/dbraw/zinc/30/60/81/272306081.db2.gz HZOHDQIEQUBGKN-ZWKOTPCHSA-N 2 1 303.450 2.716 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)[C@@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000344291082 272306488 /nfs/dbraw/zinc/30/64/88/272306488.db2.gz HZOHDQIEQUBGKN-MSOLQXFVSA-N 2 1 303.450 2.716 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000344291082 272306491 /nfs/dbraw/zinc/30/64/91/272306491.db2.gz HZOHDQIEQUBGKN-MSOLQXFVSA-N 2 1 303.450 2.716 20 0 DFADMP COc1cc(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000344677064 272355024 /nfs/dbraw/zinc/35/50/24/272355024.db2.gz KRQBTVRTKUJQRE-AAEUAGOBSA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCN(C)[C@@H](C)C2)ccc1OC(F)F ZINC000344677064 272355026 /nfs/dbraw/zinc/35/50/26/272355026.db2.gz KRQBTVRTKUJQRE-AAEUAGOBSA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000344677064 272355029 /nfs/dbraw/zinc/35/50/29/272355029.db2.gz KRQBTVRTKUJQRE-AAEUAGOBSA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000344677064 272355030 /nfs/dbraw/zinc/35/50/30/272355030.db2.gz KRQBTVRTKUJQRE-AAEUAGOBSA-N 2 1 314.376 2.869 20 0 DFADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000279841735 427722823 /nfs/dbraw/zinc/72/28/23/427722823.db2.gz ZXDVDCKDDJSDQC-UHOSZYNNSA-N 2 1 320.477 2.589 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000345000150 272391983 /nfs/dbraw/zinc/39/19/83/272391983.db2.gz IVHOMMKBHUBHSP-ADHGMGHFSA-N 2 1 321.509 2.723 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000287773334 427690046 /nfs/dbraw/zinc/69/00/46/427690046.db2.gz NAKOFTAPTRHBSE-MRXNPFEDSA-N 2 1 305.466 2.871 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287779925 427690934 /nfs/dbraw/zinc/69/09/34/427690934.db2.gz NJQUJGVHOHGKDZ-AEFFLSMTSA-N 2 1 324.896 2.907 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)no1 ZINC000333882777 427700336 /nfs/dbraw/zinc/70/03/36/427700336.db2.gz UYBUJOAJJIEKHG-GDBMZVCRSA-N 2 1 321.465 2.690 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966135 427723588 /nfs/dbraw/zinc/72/35/88/427723588.db2.gz ZANBMHKFIZKPRK-WMZOPIPTSA-N 2 1 324.896 2.907 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966135 427723595 /nfs/dbraw/zinc/72/35/95/427723595.db2.gz ZANBMHKFIZKPRK-WMZOPIPTSA-N 2 1 324.896 2.907 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966135 427723599 /nfs/dbraw/zinc/72/35/99/427723599.db2.gz ZANBMHKFIZKPRK-WMZOPIPTSA-N 2 1 324.896 2.907 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(F)cn1 ZINC000287906122 427712719 /nfs/dbraw/zinc/71/27/19/427712719.db2.gz ZWVQXSZMTFYJFH-NEPJUHHUSA-N 2 1 306.385 2.721 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000336865739 427766760 /nfs/dbraw/zinc/76/67/60/427766760.db2.gz LGOQDKKHZLAFAE-JNEORBFBSA-N 2 1 306.494 2.636 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000336865739 427766762 /nfs/dbraw/zinc/76/67/62/427766762.db2.gz LGOQDKKHZLAFAE-JNEORBFBSA-N 2 1 306.494 2.636 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2coc(-c3ccccc3)n2)CC1 ZINC000336866820 427766859 /nfs/dbraw/zinc/76/68/59/427766859.db2.gz JKBOSJNNDHNPFG-UHFFFAOYSA-N 2 1 315.417 2.671 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000336872356 427768794 /nfs/dbraw/zinc/76/87/94/427768794.db2.gz MEHBCJHNPLMMGY-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)CCC[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000339411248 427770044 /nfs/dbraw/zinc/77/00/44/427770044.db2.gz XDEPVGQLOYSSCC-INIZCTEOSA-N 2 1 304.482 2.800 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339433049 427773512 /nfs/dbraw/zinc/77/35/12/427773512.db2.gz IENBYKCNKRWVIT-LPHOPBHVSA-N 2 1 315.461 2.740 20 0 DFADMP CC[N@@H+](CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000194097599 427730151 /nfs/dbraw/zinc/73/01/51/427730151.db2.gz CVAQWFSGABXFBY-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@]3(O)CCC[C@H]3C)sc2C1 ZINC000339555590 427792314 /nfs/dbraw/zinc/79/23/14/427792314.db2.gz OHLQMNXLMXMKBF-CXAGYDPISA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@]3(O)CCC[C@H]3C)sc2C1 ZINC000339555590 427792316 /nfs/dbraw/zinc/79/23/16/427792316.db2.gz OHLQMNXLMXMKBF-CXAGYDPISA-N 2 1 323.506 2.550 20 0 DFADMP CC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1C[C@H](C)O ZINC000301406594 427794906 /nfs/dbraw/zinc/79/49/06/427794906.db2.gz MFAMZHPOMIIOAW-ZFWWWQNUSA-N 2 1 317.408 2.655 20 0 DFADMP CC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1C[C@H](C)O ZINC000301406594 427794909 /nfs/dbraw/zinc/79/49/09/427794909.db2.gz MFAMZHPOMIIOAW-ZFWWWQNUSA-N 2 1 317.408 2.655 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@](C)(O)C(F)(F)F)CC1 ZINC000337140534 427804512 /nfs/dbraw/zinc/80/45/12/427804512.db2.gz RFRGYHGDJNVDHG-CQSZACIVSA-N 2 1 310.404 2.744 20 0 DFADMP CC(C)C[C@@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337194661 427813073 /nfs/dbraw/zinc/81/30/73/427813073.db2.gz WJCDTENKTHPXRM-KAKFPZCNSA-N 2 1 307.526 2.911 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359453365 427858030 /nfs/dbraw/zinc/85/80/30/427858030.db2.gz DNPWSQBOXJANSG-UHFFFAOYSA-N 2 1 314.477 2.896 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359453365 427858036 /nfs/dbraw/zinc/85/80/36/427858036.db2.gz DNPWSQBOXJANSG-UHFFFAOYSA-N 2 1 314.477 2.896 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccccc1F ZINC000337279548 427830309 /nfs/dbraw/zinc/83/03/09/427830309.db2.gz UJFGOTQLSAMBIJ-UHFFFAOYSA-N 2 1 307.413 2.572 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000337311221 427837516 /nfs/dbraw/zinc/83/75/16/427837516.db2.gz CAUHMPZNMVVWJW-QZTJIDSGSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000337311221 427837521 /nfs/dbraw/zinc/83/75/21/427837521.db2.gz CAUHMPZNMVVWJW-QZTJIDSGSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355663891 427840958 /nfs/dbraw/zinc/84/09/58/427840958.db2.gz DSUWSLAAKUINGS-RBUKOAKNSA-N 2 1 302.462 2.540 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355663891 427840963 /nfs/dbraw/zinc/84/09/63/427840963.db2.gz DSUWSLAAKUINGS-RBUKOAKNSA-N 2 1 302.462 2.540 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355663891 427840968 /nfs/dbraw/zinc/84/09/68/427840968.db2.gz DSUWSLAAKUINGS-RBUKOAKNSA-N 2 1 302.462 2.540 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000340422145 427843023 /nfs/dbraw/zinc/84/30/23/427843023.db2.gz QNLWURDOUCAJNW-HNNXBMFYSA-N 2 1 316.474 2.848 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000340422145 427843027 /nfs/dbraw/zinc/84/30/27/427843027.db2.gz QNLWURDOUCAJNW-HNNXBMFYSA-N 2 1 316.474 2.848 20 0 DFADMP COCCOc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000340424037 427845002 /nfs/dbraw/zinc/84/50/02/427845002.db2.gz AVCNCVHCZIVTNX-UHFFFAOYSA-N 2 1 318.461 2.818 20 0 DFADMP CC[C@H]1CN(c2nc(C)cc3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000302041575 427848113 /nfs/dbraw/zinc/84/81/13/427848113.db2.gz LPPFXVVWGHZTOD-RDJZCZTQSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340464545 427853355 /nfs/dbraw/zinc/85/33/55/427853355.db2.gz FUJLFRHGDJXJIZ-HUUCEWRRSA-N 2 1 307.486 2.502 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340464545 427853359 /nfs/dbraw/zinc/85/33/59/427853359.db2.gz FUJLFRHGDJXJIZ-HUUCEWRRSA-N 2 1 307.486 2.502 20 0 DFADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000345673538 427853564 /nfs/dbraw/zinc/85/35/64/427853564.db2.gz HUKSBATVQFWROP-OAHLLOKOSA-N 2 1 305.466 2.574 20 0 DFADMP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000337348806 427856781 /nfs/dbraw/zinc/85/67/81/427856781.db2.gz ZKPSHOLXYZELME-IAGOWNOFSA-N 2 1 320.477 2.810 20 0 DFADMP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000337348806 427856788 /nfs/dbraw/zinc/85/67/88/427856788.db2.gz ZKPSHOLXYZELME-IAGOWNOFSA-N 2 1 320.477 2.810 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000345693817 427862909 /nfs/dbraw/zinc/86/29/09/427862909.db2.gz OZNSGSGUKAXKRE-PKOBYXMFSA-N 2 1 317.477 2.532 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(C)C ZINC000340515004 427870198 /nfs/dbraw/zinc/87/01/98/427870198.db2.gz LIKZRRGGANXQKJ-IAGOWNOFSA-N 2 1 311.514 2.543 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CCC2)[C@H](C)C1 ZINC000337377667 427874792 /nfs/dbraw/zinc/87/47/92/427874792.db2.gz BUDKEVFMLFUMPA-IAGOWNOFSA-N 2 1 312.498 2.530 20 0 DFADMP Cc1cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)oc1C ZINC000337390613 427881597 /nfs/dbraw/zinc/88/15/97/427881597.db2.gz KNIRSLRWHXGTSY-HNNXBMFYSA-N 2 1 307.482 2.821 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nn1C ZINC000337410411 427891859 /nfs/dbraw/zinc/89/18/59/427891859.db2.gz VOTKRCRTCOAMMS-OAHLLOKOSA-N 2 1 313.449 2.752 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000345768310 427895866 /nfs/dbraw/zinc/89/58/66/427895866.db2.gz SBPZLTFAJONROY-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000304291392 427926183 /nfs/dbraw/zinc/92/61/83/427926183.db2.gz CNIDQMZZDSDPIK-HKUYNNGSSA-N 2 1 302.462 2.836 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000359551204 427904758 /nfs/dbraw/zinc/90/47/58/427904758.db2.gz JRDUARLANNMISX-XYPHTWIQSA-N 2 1 309.885 2.873 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000345933215 427958142 /nfs/dbraw/zinc/95/81/42/427958142.db2.gz AKMAYIVNJGXKMS-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@H]1C ZINC000345933215 427958149 /nfs/dbraw/zinc/95/81/49/427958149.db2.gz AKMAYIVNJGXKMS-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@H]1C ZINC000345933215 427958153 /nfs/dbraw/zinc/95/81/53/427958153.db2.gz AKMAYIVNJGXKMS-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP O=C(C[N@H+]1CCCC12CCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000340230677 427960285 /nfs/dbraw/zinc/96/02/85/427960285.db2.gz MBSIBECJENDWGQ-UHFFFAOYSA-N 2 1 319.493 2.528 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340260579 427970134 /nfs/dbraw/zinc/97/01/34/427970134.db2.gz SUQMGOQQMCQPFV-ROUUACIJSA-N 2 1 310.445 2.919 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340260579 427970138 /nfs/dbraw/zinc/97/01/38/427970138.db2.gz SUQMGOQQMCQPFV-ROUUACIJSA-N 2 1 310.445 2.919 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C[C@@H]1c1ccccc1 ZINC000340262553 427971414 /nfs/dbraw/zinc/97/14/14/427971414.db2.gz LNBFOVVVAQRBPI-JENIJYKNSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C[C@@H]1c1ccccc1 ZINC000340262553 427971418 /nfs/dbraw/zinc/97/14/18/427971418.db2.gz LNBFOVVVAQRBPI-JENIJYKNSA-N 2 1 310.445 2.692 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000340288315 427979325 /nfs/dbraw/zinc/97/93/25/427979325.db2.gz IGYKDLLBOOPJOV-UXHICEINSA-N 2 1 315.505 2.925 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000340288315 427979327 /nfs/dbraw/zinc/97/93/27/427979327.db2.gz IGYKDLLBOOPJOV-UXHICEINSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000341049777 427979751 /nfs/dbraw/zinc/97/97/51/427979751.db2.gz CRJQZGJKUAIUDX-JZXOWHBKSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000341049777 427979757 /nfs/dbraw/zinc/97/97/57/427979757.db2.gz CRJQZGJKUAIUDX-JZXOWHBKSA-N 2 1 317.477 2.668 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1Oc1ccccc1 ZINC000359716185 427986309 /nfs/dbraw/zinc/98/63/09/427986309.db2.gz MHIJQKQYKQNZBZ-KURKYZTESA-N 2 1 320.477 2.789 20 0 DFADMP C[C@H](CCNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000356031082 427989626 /nfs/dbraw/zinc/98/96/26/427989626.db2.gz CXPJGTOPBXSUQI-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000359641226 427949322 /nfs/dbraw/zinc/94/93/22/427949322.db2.gz MVQXSNUGZQDNRG-IEBWSBKVSA-N 2 1 318.509 2.612 20 0 DFADMP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000359641226 427949327 /nfs/dbraw/zinc/94/93/27/427949327.db2.gz MVQXSNUGZQDNRG-IEBWSBKVSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000359641226 427949333 /nfs/dbraw/zinc/94/93/33/427949333.db2.gz MVQXSNUGZQDNRG-IEBWSBKVSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000359641226 427949339 /nfs/dbraw/zinc/94/93/39/427949339.db2.gz MVQXSNUGZQDNRG-IEBWSBKVSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000359641226 427949343 /nfs/dbraw/zinc/94/93/43/427949343.db2.gz MVQXSNUGZQDNRG-IEBWSBKVSA-N 3 1 318.509 2.612 20 0 DFADMP CSC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000376937633 428027926 /nfs/dbraw/zinc/02/79/26/428027926.db2.gz PLWXJQOZEJYQPA-BXUZGUMPSA-N 2 1 323.437 2.694 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000341332797 428033773 /nfs/dbraw/zinc/03/37/73/428033773.db2.gz WQWQQQFGEFSQTB-CVEARBPZSA-N 2 1 322.468 2.924 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2CC[C@@H]1CO ZINC000377010484 428041464 /nfs/dbraw/zinc/04/14/64/428041464.db2.gz AQHJHRQMFBNJDB-IEBWSBKVSA-N 2 1 313.445 2.857 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]CCc1ccc(F)cc1Cl ZINC000356173337 428053492 /nfs/dbraw/zinc/05/34/92/428053492.db2.gz WWEYNJHIPYDLFT-UHFFFAOYSA-N 2 1 302.821 2.580 20 0 DFADMP C(C[NH+]1CCCO[C@H]2CCC[C@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000359874959 428057222 /nfs/dbraw/zinc/05/72/22/428057222.db2.gz ROQKJHVQXMACGJ-MKXGPGLRSA-N 2 1 322.493 2.663 20 0 DFADMP C(C[NH+]1CCCO[C@@H]2CCC[C@H]21)C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000359874959 428057228 /nfs/dbraw/zinc/05/72/28/428057228.db2.gz ROQKJHVQXMACGJ-MKXGPGLRSA-N 2 1 322.493 2.663 20 0 DFADMP C(C[NH+]1CCCO[C@@H]2CCC[C@H]21)C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000359874959 428057231 /nfs/dbraw/zinc/05/72/31/428057231.db2.gz ROQKJHVQXMACGJ-MKXGPGLRSA-N 2 1 322.493 2.663 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[C@H]1c1ccccc1 ZINC000340360102 427998827 /nfs/dbraw/zinc/99/88/27/427998827.db2.gz YJNHEYSQPKXPBZ-KANFNMMFSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[C@H]1c1ccccc1 ZINC000340360102 427998832 /nfs/dbraw/zinc/99/88/32/427998832.db2.gz YJNHEYSQPKXPBZ-KANFNMMFSA-N 2 1 302.462 2.963 20 0 DFADMP COC1(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)CCCCC1 ZINC000359741478 427999902 /nfs/dbraw/zinc/99/99/02/427999902.db2.gz JFTMTJCWIXQPFX-UHFFFAOYSA-N 2 1 312.498 2.815 20 0 DFADMP CCOC(=O)CCCC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000369602297 428013311 /nfs/dbraw/zinc/01/33/11/428013311.db2.gz PLQLCKHVBYRTRN-INIZCTEOSA-N 2 1 319.449 2.857 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000369602297 428013314 /nfs/dbraw/zinc/01/33/14/428013314.db2.gz PLQLCKHVBYRTRN-INIZCTEOSA-N 2 1 319.449 2.857 20 0 DFADMP COC[C@H]1CCCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346210746 428071457 /nfs/dbraw/zinc/07/14/57/428071457.db2.gz VZZCQGKOCMPSLJ-AWEZNQCLSA-N 2 1 323.506 2.768 20 0 DFADMP Cn1ccnc1-c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000369840225 428072509 /nfs/dbraw/zinc/07/25/09/428072509.db2.gz KGGAIKRSVGBNFV-ZWKOTPCHSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCSCCCO ZINC000377177257 428076454 /nfs/dbraw/zinc/07/64/54/428076454.db2.gz DACQMJDUIHIONR-SJLPKXTDSA-N 2 1 322.518 2.602 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000346225533 428080109 /nfs/dbraw/zinc/08/01/09/428080109.db2.gz ULWIUZAVDIQZEE-SJORKVTESA-N 2 1 309.498 2.584 20 0 DFADMP COc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCO2 ZINC000341553075 428100737 /nfs/dbraw/zinc/10/07/37/428100737.db2.gz MYORYMSOGGVVAH-PBFPGSCMSA-N 2 1 302.418 2.734 20 0 DFADMP COc1ccc2c(c1)[C@H](N[C@@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCO2 ZINC000341553075 428100743 /nfs/dbraw/zinc/10/07/43/428100743.db2.gz MYORYMSOGGVVAH-PBFPGSCMSA-N 2 1 302.418 2.734 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860490 428113384 /nfs/dbraw/zinc/11/33/84/428113384.db2.gz ISVCTVPWCGDRJJ-AAEUAGOBSA-N 2 1 320.824 2.602 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861185 428114122 /nfs/dbraw/zinc/11/41/22/428114122.db2.gz JIQZJLVSXPWYML-RYUDHWBXSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864650 428116448 /nfs/dbraw/zinc/11/64/48/428116448.db2.gz YTBADYOSXAQKJQ-NVXWUHKLSA-N 2 1 311.429 2.830 20 0 DFADMP OC1CC[NH+](CCC[NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000377400550 428123025 /nfs/dbraw/zinc/12/30/25/428123025.db2.gz QEDFDIQCHJKTSW-UHFFFAOYSA-N 2 1 324.415 2.647 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000346342488 428134767 /nfs/dbraw/zinc/13/47/67/428134767.db2.gz RVHMZAYSXDUZKI-JKSUJKDBSA-N 2 1 320.481 2.728 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000346342488 428134769 /nfs/dbraw/zinc/13/47/69/428134769.db2.gz RVHMZAYSXDUZKI-JKSUJKDBSA-N 2 1 320.481 2.728 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(-c2nccn2C)c1 ZINC000360056848 428136466 /nfs/dbraw/zinc/13/64/66/428136466.db2.gz IZUOOWXHMYKQQJ-IIDMSEBBSA-N 2 1 312.461 2.905 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000346358754 428140225 /nfs/dbraw/zinc/14/02/25/428140225.db2.gz HLNVZJYENIWALJ-KRWDZBQOSA-N 2 1 320.452 2.849 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000352544417 428145679 /nfs/dbraw/zinc/14/56/79/428145679.db2.gz AJGFEHVDWFTDAN-FQEVSTJZSA-N 2 1 324.472 2.971 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC(C)(C)O ZINC000370168563 428150627 /nfs/dbraw/zinc/15/06/27/428150627.db2.gz FQKZKSWBWIUOMM-FUHWJXTLSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC(C)(C)O ZINC000370168563 428150632 /nfs/dbraw/zinc/15/06/32/428150632.db2.gz FQKZKSWBWIUOMM-FUHWJXTLSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCC(C)(C)O ZINC000370168563 428150636 /nfs/dbraw/zinc/15/06/36/428150636.db2.gz FQKZKSWBWIUOMM-FUHWJXTLSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC(C)(C)O ZINC000370168563 428150642 /nfs/dbraw/zinc/15/06/42/428150642.db2.gz FQKZKSWBWIUOMM-FUHWJXTLSA-N 2 1 304.478 2.990 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(O)c3)C2)nc(C)[nH+]1 ZINC000360096588 428158955 /nfs/dbraw/zinc/15/89/55/428158955.db2.gz RWOVUDGJTBPRLL-INIZCTEOSA-N 2 1 312.417 2.558 20 0 DFADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)C/C=C/Cl)CC2)CC1 ZINC000370190543 428154705 /nfs/dbraw/zinc/15/47/05/428154705.db2.gz HZUTVGNMJQRFAT-YCRREMRBSA-N 2 1 313.917 2.867 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)n2)[C@@H](C)C1 ZINC000360146917 428181285 /nfs/dbraw/zinc/18/12/85/428181285.db2.gz FABOLXKIJLWYKU-YJBOKZPZSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)n2)[C@@H](C)C1 ZINC000360146917 428181287 /nfs/dbraw/zinc/18/12/87/428181287.db2.gz FABOLXKIJLWYKU-YJBOKZPZSA-N 2 1 305.466 2.617 20 0 DFADMP Cc1ccc(CCC[NH2+][C@H](C)c2noc(COC(C)C)n2)cn1 ZINC000356506790 428209501 /nfs/dbraw/zinc/20/95/01/428209501.db2.gz PQQQZIGNHYLLAT-CQSZACIVSA-N 2 1 318.421 2.981 20 0 DFADMP Cc1oncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377730934 428212087 /nfs/dbraw/zinc/21/20/87/428212087.db2.gz AOJGOBCTLJZUBT-PKOBYXMFSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377730934 428212092 /nfs/dbraw/zinc/21/20/92/428212092.db2.gz AOJGOBCTLJZUBT-PKOBYXMFSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377730934 428212097 /nfs/dbraw/zinc/21/20/97/428212097.db2.gz AOJGOBCTLJZUBT-PKOBYXMFSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377730934 428212109 /nfs/dbraw/zinc/21/21/09/428212109.db2.gz AOJGOBCTLJZUBT-PKOBYXMFSA-N 2 1 311.429 2.937 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000414127349 428213685 /nfs/dbraw/zinc/21/36/85/428213685.db2.gz SCWMQJJAENVVEK-IAGOWNOFSA-N 2 1 320.477 2.891 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000414127351 428214474 /nfs/dbraw/zinc/21/44/74/428214474.db2.gz SCWMQJJAENVVEK-IRXDYDNUSA-N 2 1 320.477 2.891 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000414131021 428214883 /nfs/dbraw/zinc/21/48/83/428214883.db2.gz YMGKCZOAWJDQNU-LASHMREHSA-N 2 1 314.473 2.933 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@H](C)C1 ZINC000414144363 428216451 /nfs/dbraw/zinc/21/64/51/428216451.db2.gz MPGJFCQUEKITHQ-ZJPYXAASSA-N 2 1 312.498 2.669 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000346558398 428216885 /nfs/dbraw/zinc/21/68/85/428216885.db2.gz LGCQTFGOWCBRGO-YTQUADARSA-N 2 1 320.477 2.853 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000346558398 428216894 /nfs/dbraw/zinc/21/68/94/428216894.db2.gz LGCQTFGOWCBRGO-YTQUADARSA-N 2 1 320.477 2.853 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c(C)n2n1 ZINC000414169646 428221490 /nfs/dbraw/zinc/22/14/90/428221490.db2.gz BFZUEDBUUUUVJF-ZBFHGGJFSA-N 2 1 315.465 2.729 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000414187207 428229035 /nfs/dbraw/zinc/22/90/35/428229035.db2.gz PRCLPILEUIFIJO-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@H](Cc1ccc(O)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352746182 428229525 /nfs/dbraw/zinc/22/95/25/428229525.db2.gz AZHOSQONPWJKEU-GFCCVEGCSA-N 2 1 305.447 2.631 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000414189240 428229955 /nfs/dbraw/zinc/22/99/55/428229955.db2.gz RESXNOGINVXBJA-GXZWQRSESA-N 2 1 308.491 2.807 20 0 DFADMP CCOc1cccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352753012 428231155 /nfs/dbraw/zinc/23/11/55/428231155.db2.gz CAQZKIFLSHKDJD-UHFFFAOYSA-N 2 1 319.474 2.936 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000414056602 428193250 /nfs/dbraw/zinc/19/32/50/428193250.db2.gz DQLASSIXMCEUSS-HRCADAONSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCC[C@H](C)C2)cn1 ZINC000414056602 428193255 /nfs/dbraw/zinc/19/32/55/428193255.db2.gz DQLASSIXMCEUSS-HRCADAONSA-N 2 1 305.466 2.731 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000377691348 428196191 /nfs/dbraw/zinc/19/61/91/428196191.db2.gz FURURLLYVIVNMG-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000377691348 428196196 /nfs/dbraw/zinc/19/61/96/428196196.db2.gz FURURLLYVIVNMG-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1C[C@H]1C ZINC000414076699 428199529 /nfs/dbraw/zinc/19/95/29/428199529.db2.gz QIALKSYJXPOFAA-GJYPPUQNSA-N 2 1 301.478 2.568 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000377698980 428200520 /nfs/dbraw/zinc/20/05/20/428200520.db2.gz NEQBHLVQPPFCKF-QWHCGFSZSA-N 2 1 303.381 2.944 20 0 DFADMP Cc1nc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc12 ZINC000370409887 428204892 /nfs/dbraw/zinc/20/48/92/428204892.db2.gz JQNKWGRVLBBYET-OAHLLOKOSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1nc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc12 ZINC000370409887 428204897 /nfs/dbraw/zinc/20/48/97/428204897.db2.gz JQNKWGRVLBBYET-OAHLLOKOSA-N 2 1 321.428 2.829 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000370651699 428264686 /nfs/dbraw/zinc/26/46/86/428264686.db2.gz BXDSEHVVEJKDRM-WDSOQIARSA-N 2 1 302.462 2.913 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000346671621 428264876 /nfs/dbraw/zinc/26/48/76/428264876.db2.gz KHDKGDOOEFXGMI-UHFFFAOYSA-N 2 1 306.841 2.809 20 0 DFADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CCCc2[nH+]ccn21 ZINC000377934739 428265186 /nfs/dbraw/zinc/26/51/86/428265186.db2.gz BXRXZZGCYYSWRB-MRXNPFEDSA-N 2 1 318.465 2.533 20 0 DFADMP COc1cc(Br)ccc1C[NH+]1CCC(C[NH3+])CC1 ZINC000346686945 428273491 /nfs/dbraw/zinc/27/34/91/428273491.db2.gz LDHMBCBETQIWSN-UHFFFAOYSA-N 2 1 313.239 2.628 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346689742 428273871 /nfs/dbraw/zinc/27/38/71/428273871.db2.gz SOJZKRHCEXLHAY-WFASDCNBSA-N 2 1 316.424 2.797 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346693730 428277069 /nfs/dbraw/zinc/27/70/69/428277069.db2.gz PFAIVMRYZCGNGE-STQMWFEESA-N 2 1 304.825 2.695 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(SC)cc1OC ZINC000346693966 428277282 /nfs/dbraw/zinc/27/72/82/428277282.db2.gz QWDRLFJBMJOMDE-NWDGAFQWSA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)c(SC)cc1OC ZINC000346693966 428277288 /nfs/dbraw/zinc/27/72/88/428277288.db2.gz QWDRLFJBMJOMDE-NWDGAFQWSA-N 2 1 310.463 2.595 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693421 428277311 /nfs/dbraw/zinc/27/73/11/428277311.db2.gz NAPZSTKZYMMDDC-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000346693184 428278033 /nfs/dbraw/zinc/27/80/33/428278033.db2.gz LFHJBKKWOIZOLX-WBVHZDCISA-N 2 1 311.429 2.830 20 0 DFADMP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000370707025 428278236 /nfs/dbraw/zinc/27/82/36/428278236.db2.gz NOCYSFVQCWNMTC-PXNSSMCTSA-N 2 1 315.505 2.761 20 0 DFADMP Cc1ccc(-n2ccnc2)c(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000356732683 428288418 /nfs/dbraw/zinc/28/84/18/428288418.db2.gz ACNMAENCZBHBSF-OAHLLOKOSA-N 2 1 314.433 2.639 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OC2CCCC2)nc1 ZINC000360416315 428290382 /nfs/dbraw/zinc/29/03/82/428290382.db2.gz GFLGSJVVUBXSOK-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000360416315 428290385 /nfs/dbraw/zinc/29/03/85/428290385.db2.gz GFLGSJVVUBXSOK-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000360416315 428290389 /nfs/dbraw/zinc/29/03/89/428290389.db2.gz GFLGSJVVUBXSOK-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000360416315 428290393 /nfs/dbraw/zinc/29/03/93/428290393.db2.gz GFLGSJVVUBXSOK-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cnccn2)cc1 ZINC000341881779 428241616 /nfs/dbraw/zinc/24/16/16/428241616.db2.gz ZDMXXLRDHISVTP-CQSZACIVSA-N 2 1 307.401 2.864 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccncc1 ZINC000370577433 428243994 /nfs/dbraw/zinc/24/39/94/428243994.db2.gz GMYPIPURNYOKPB-UOVPBQLFSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1ccncc1 ZINC000370577433 428243996 /nfs/dbraw/zinc/24/39/96/428243996.db2.gz GMYPIPURNYOKPB-UOVPBQLFSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000370577411 428244831 /nfs/dbraw/zinc/24/48/31/428244831.db2.gz GFJAXHQAUSWJJV-BFYDXBDKSA-N 2 1 308.491 2.770 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370600083 428248616 /nfs/dbraw/zinc/24/86/16/428248616.db2.gz STQBUQCYSNWOSD-QRQLOZEOSA-N 2 1 314.429 2.528 20 0 DFADMP COc1cc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1 ZINC000377858254 428248640 /nfs/dbraw/zinc/24/86/40/428248640.db2.gz XHLXCVPSYNLOCG-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc(OC)c1 ZINC000377858254 428248642 /nfs/dbraw/zinc/24/86/42/428248642.db2.gz XHLXCVPSYNLOCG-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370600083 428248621 /nfs/dbraw/zinc/24/86/21/428248621.db2.gz STQBUQCYSNWOSD-QRQLOZEOSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370600083 428248624 /nfs/dbraw/zinc/24/86/24/428248624.db2.gz STQBUQCYSNWOSD-QRQLOZEOSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000370600083 428248631 /nfs/dbraw/zinc/24/86/31/428248631.db2.gz STQBUQCYSNWOSD-QRQLOZEOSA-N 2 1 314.429 2.528 20 0 DFADMP CC[NH+](CC(C)C[N@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000346645914 428253709 /nfs/dbraw/zinc/25/37/09/428253709.db2.gz QIRGUMKQXGFWME-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000370632399 428257324 /nfs/dbraw/zinc/25/73/24/428257324.db2.gz AIYMDIYWAIXUJW-TZMCWYRMSA-N 2 1 309.454 2.516 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370627518 428258317 /nfs/dbraw/zinc/25/83/17/428258317.db2.gz CDKWBHNNKGYBNK-LGWLGOQQSA-N 2 1 323.431 2.862 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)C[C@@H]21 ZINC000342117625 428307199 /nfs/dbraw/zinc/30/71/99/428307199.db2.gz ZAFKWNSGHFMWHR-TUKIKUTGSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)C[C@@H]21 ZINC000342117625 428307202 /nfs/dbraw/zinc/30/72/02/428307202.db2.gz ZAFKWNSGHFMWHR-TUKIKUTGSA-N 2 1 303.431 2.962 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356791515 428308394 /nfs/dbraw/zinc/30/83/94/428308394.db2.gz SZSHOISRFBBFOT-ZETOZRRWSA-N 2 1 300.368 2.965 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356791513 428309690 /nfs/dbraw/zinc/30/96/90/428309690.db2.gz SZSHOISRFBBFOT-UEKVPHQBSA-N 2 1 300.368 2.965 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(C)c1OC ZINC000342143752 428320903 /nfs/dbraw/zinc/32/09/03/428320903.db2.gz QOKGHENIMFOKFQ-AWEZNQCLSA-N 2 1 315.417 2.561 20 0 DFADMP C[C@H]1[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CCC[N@H+]1C ZINC000346795732 428322448 /nfs/dbraw/zinc/32/24/48/428322448.db2.gz MSALCEPUEOZNCQ-PXNSSMCTSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801514 428324459 /nfs/dbraw/zinc/32/44/59/428324459.db2.gz SQGYJVUGLKFWKY-UHIISALHSA-N 2 1 300.368 2.965 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378208780 428335994 /nfs/dbraw/zinc/33/59/94/428335994.db2.gz HSAZYHJUHVFIEA-YOEHRIQHSA-N 2 1 306.454 2.688 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346832599 428336913 /nfs/dbraw/zinc/33/69/13/428336913.db2.gz LPPJGWASZSFCHY-BHYGNILZSA-N 2 1 304.482 2.814 20 0 DFADMP CCCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346831308 428337184 /nfs/dbraw/zinc/33/71/84/428337184.db2.gz XRZZXDCILVAOIT-ARFHVFGLSA-N 2 1 304.434 2.653 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cnccc3C)C2)nc(C)[nH+]1 ZINC000378219749 428337795 /nfs/dbraw/zinc/33/77/95/428337795.db2.gz IVRRVDOBUUHWIY-KRWDZBQOSA-N 2 1 311.433 2.555 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840103 428342560 /nfs/dbraw/zinc/34/25/60/428342560.db2.gz ZIVGZRSTVWGNTF-FHWLQOOXSA-N 2 1 315.505 2.814 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840103 428342564 /nfs/dbraw/zinc/34/25/64/428342564.db2.gz ZIVGZRSTVWGNTF-FHWLQOOXSA-N 2 1 315.505 2.814 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840103 428342567 /nfs/dbraw/zinc/34/25/67/428342567.db2.gz ZIVGZRSTVWGNTF-FHWLQOOXSA-N 2 1 315.505 2.814 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840103 428342572 /nfs/dbraw/zinc/34/25/72/428342572.db2.gz ZIVGZRSTVWGNTF-FHWLQOOXSA-N 3 1 315.505 2.814 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840103 428342577 /nfs/dbraw/zinc/34/25/77/428342577.db2.gz ZIVGZRSTVWGNTF-FHWLQOOXSA-N 3 1 315.505 2.814 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840103 428342579 /nfs/dbraw/zinc/34/25/79/428342579.db2.gz ZIVGZRSTVWGNTF-FHWLQOOXSA-N 3 1 315.505 2.814 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346840103 428342582 /nfs/dbraw/zinc/34/25/82/428342582.db2.gz ZIVGZRSTVWGNTF-FHWLQOOXSA-N 3 1 315.505 2.814 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000356876373 428345199 /nfs/dbraw/zinc/34/51/99/428345199.db2.gz RHGWHOLSQYSAGJ-UHFFFAOYSA-N 2 1 309.420 2.723 20 0 DFADMP CC(C)[N@H+](C)CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356876373 428345202 /nfs/dbraw/zinc/34/52/02/428345202.db2.gz RHGWHOLSQYSAGJ-UHFFFAOYSA-N 2 1 309.420 2.723 20 0 DFADMP CC(C)[N@@H+](C)CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356876373 428345209 /nfs/dbraw/zinc/34/52/09/428345209.db2.gz RHGWHOLSQYSAGJ-UHFFFAOYSA-N 2 1 309.420 2.723 20 0 DFADMP CC(C)CSCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000378248768 428345560 /nfs/dbraw/zinc/34/55/60/428345560.db2.gz ZXGRQFAXQHESDA-IXDOHACOSA-N 2 1 314.539 2.949 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346863122 428349739 /nfs/dbraw/zinc/34/97/39/428349739.db2.gz XBOCVRQURMTGDE-YDHLFZDLSA-N 2 1 324.852 2.916 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346863122 428349743 /nfs/dbraw/zinc/34/97/43/428349743.db2.gz XBOCVRQURMTGDE-YDHLFZDLSA-N 2 1 324.852 2.916 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000360564398 428350674 /nfs/dbraw/zinc/35/06/74/428350674.db2.gz QRWNHFLAJGUVDR-IBGZPJMESA-N 2 1 300.446 3.000 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1C ZINC000360564398 428350678 /nfs/dbraw/zinc/35/06/78/428350678.db2.gz QRWNHFLAJGUVDR-IBGZPJMESA-N 2 1 300.446 3.000 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000342209393 428351021 /nfs/dbraw/zinc/35/10/21/428351021.db2.gz RYGGXTUEVQAWSO-WBVHZDCISA-N 2 1 313.449 2.792 20 0 DFADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414450430 428302752 /nfs/dbraw/zinc/30/27/52/428302752.db2.gz XPDDWPPSCLALPH-QGZVFWFLSA-N 2 1 310.445 2.651 20 0 DFADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414450430 428302756 /nfs/dbraw/zinc/30/27/56/428302756.db2.gz XPDDWPPSCLALPH-QGZVFWFLSA-N 2 1 310.445 2.651 20 0 DFADMP CCCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357101808 428388254 /nfs/dbraw/zinc/38/82/54/428388254.db2.gz DYQMXJXYQSFZHR-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357101808 428388258 /nfs/dbraw/zinc/38/82/58/428388258.db2.gz DYQMXJXYQSFZHR-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426848 428389190 /nfs/dbraw/zinc/38/91/90/428389190.db2.gz ZHPDZFIZOWFFPF-BEFAXECRSA-N 2 1 319.468 2.987 20 0 DFADMP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414737814 428391313 /nfs/dbraw/zinc/39/13/13/428391313.db2.gz OLERBICWQSGLMU-GJZGRUSLSA-N 2 1 321.440 2.863 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739233 428391400 /nfs/dbraw/zinc/39/14/00/428391400.db2.gz PWQQDGLNJVBZAG-CKEIUWERSA-N 2 1 307.869 2.674 20 0 DFADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000414761314 428394611 /nfs/dbraw/zinc/39/46/11/428394611.db2.gz SPWXTRMMWFGQCM-SFHVURJKSA-N 2 1 304.478 2.677 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414758387 428394982 /nfs/dbraw/zinc/39/49/82/428394982.db2.gz CKPCSJXBIZXZCC-JKSUJKDBSA-N 2 1 304.482 2.772 20 0 DFADMP CC(C)C[C@H]([NH3+])CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414758384 428395076 /nfs/dbraw/zinc/39/50/76/428395076.db2.gz CKPCSJXBIZXZCC-CVEARBPZSA-N 2 1 304.482 2.772 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000378439100 428395353 /nfs/dbraw/zinc/39/53/53/428395353.db2.gz ZYIRNXIKGJSLHA-IBGZPJMESA-N 2 1 315.505 2.763 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378436611 428395455 /nfs/dbraw/zinc/39/54/55/428395455.db2.gz QOKZQWSJEJTXHS-SJORKVTESA-N 2 1 319.468 2.846 20 0 DFADMP CCOC(=O)CC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000371502903 428396348 /nfs/dbraw/zinc/39/63/48/428396348.db2.gz CYQICTYBHDJTOE-UHFFFAOYSA-N 2 1 310.482 2.915 20 0 DFADMP c1cc(OCC2CC2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414767709 428397191 /nfs/dbraw/zinc/39/71/91/428397191.db2.gz KHAFEMSSBLAPJH-HDICACEKSA-N 2 1 300.446 2.907 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764379 428397733 /nfs/dbraw/zinc/39/77/33/428397733.db2.gz DFZDUOUNIFERGU-CALCHBBNSA-N 2 1 310.445 2.612 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346995622 428399017 /nfs/dbraw/zinc/39/90/17/428399017.db2.gz BOJXOBFIRPJSKT-TZMCWYRMSA-N 2 1 302.397 2.775 20 0 DFADMP OCCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000346994680 428399168 /nfs/dbraw/zinc/39/91/68/428399168.db2.gz UXRAOQGNIKCXJM-LPHOPBHVSA-N 2 1 302.462 2.748 20 0 DFADMP OCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000346994679 428400205 /nfs/dbraw/zinc/40/02/05/428400205.db2.gz UXRAOQGNIKCXJM-APWZRJJASA-N 2 1 302.462 2.748 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772178 428400787 /nfs/dbraw/zinc/40/07/87/428400787.db2.gz BGPSAIZRJGXCSZ-UONOGXRCSA-N 2 1 316.474 2.960 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)cn1 ZINC000414774682 428400915 /nfs/dbraw/zinc/40/09/15/428400915.db2.gz FSGXTIAZKHZKAC-HUUCEWRRSA-N 2 1 316.474 2.755 20 0 DFADMP Clc1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2c1 ZINC000414772626 428401521 /nfs/dbraw/zinc/40/15/21/428401521.db2.gz CHSQZDDZFZMYND-KBPBESRZSA-N 2 1 318.852 2.809 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357130674 428402208 /nfs/dbraw/zinc/40/22/08/428402208.db2.gz XONDDHBMVGVCBN-KRWDZBQOSA-N 2 1 311.514 2.831 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000347002563 428402381 /nfs/dbraw/zinc/40/23/81/428402381.db2.gz VWZFLRPQPTXIJL-UHFFFAOYSA-N 2 1 302.422 2.734 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000347002563 428402384 /nfs/dbraw/zinc/40/23/84/428402384.db2.gz VWZFLRPQPTXIJL-UHFFFAOYSA-N 2 1 302.422 2.734 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414778564 428403685 /nfs/dbraw/zinc/40/36/85/428403685.db2.gz JCMGGNQXVUGYGD-GJZGRUSLSA-N 2 1 322.522 2.811 20 0 DFADMP CCCc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414776281 428405680 /nfs/dbraw/zinc/40/56/80/428405680.db2.gz GXAZDSZBYCHGIU-GOSISDBHSA-N 2 1 302.462 2.826 20 0 DFADMP CCOCc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000347004394 428406322 /nfs/dbraw/zinc/40/63/22/428406322.db2.gz BGXALLNZKXDDJT-JWTNVVGKSA-N 2 1 318.461 2.947 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784882 428407742 /nfs/dbraw/zinc/40/77/42/428407742.db2.gz RSCUHGWXTARQPZ-HZPDHXFCSA-N 2 1 318.461 2.834 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000414789667 428410614 /nfs/dbraw/zinc/41/06/14/428410614.db2.gz YKSSZUSSGNTWQL-CVEARBPZSA-N 2 1 303.450 2.529 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787196 428410888 /nfs/dbraw/zinc/41/08/88/428410888.db2.gz VIQBMQMDLXXSDA-HZPDHXFCSA-N 2 1 316.445 2.669 20 0 DFADMP CC(C)(C)c1ncc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414790630 428412270 /nfs/dbraw/zinc/41/22/70/428412270.db2.gz PVZRQDBTCYBAKC-ZDUSSCGKSA-N 2 1 323.506 2.628 20 0 DFADMP CC(C)(C)c1ncc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414790630 428412275 /nfs/dbraw/zinc/41/22/75/428412275.db2.gz PVZRQDBTCYBAKC-ZDUSSCGKSA-N 2 1 323.506 2.628 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790097 428413133 /nfs/dbraw/zinc/41/31/33/428413133.db2.gz ZLEDZNBCYRDCIR-CABCVRRESA-N 2 1 304.434 2.525 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](CCC2CCCC2)CC1 ZINC000353033652 428364524 /nfs/dbraw/zinc/36/45/24/428364524.db2.gz ZLNPRKDQQOIRKZ-UHFFFAOYSA-N 2 1 312.498 2.626 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@](F)(c2nc(-c3ccc(C[NH3+])cc3)no2)C1 ZINC000414652834 428364654 /nfs/dbraw/zinc/36/46/54/428364654.db2.gz WREWXGXLXCKHLG-QGZVFWFLSA-N 2 1 318.396 2.864 20 0 DFADMP Cc1cc([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)[nH]n1 ZINC000360605242 428366171 /nfs/dbraw/zinc/36/61/71/428366171.db2.gz UISUVETZEHMLMD-INIZCTEOSA-N 2 1 301.438 2.883 20 0 DFADMP Cc1cc([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)[nH]n1 ZINC000360605242 428366178 /nfs/dbraw/zinc/36/61/78/428366178.db2.gz UISUVETZEHMLMD-INIZCTEOSA-N 2 1 301.438 2.883 20 0 DFADMP Cc1cc([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n[nH]1 ZINC000360605242 428366187 /nfs/dbraw/zinc/36/61/87/428366187.db2.gz UISUVETZEHMLMD-INIZCTEOSA-N 2 1 301.438 2.883 20 0 DFADMP Cc1cc([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n[nH]1 ZINC000360605242 428366192 /nfs/dbraw/zinc/36/61/92/428366192.db2.gz UISUVETZEHMLMD-INIZCTEOSA-N 2 1 301.438 2.883 20 0 DFADMP O=C1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(F)ccc2N1 ZINC000360612336 428367794 /nfs/dbraw/zinc/36/77/94/428367794.db2.gz JFGCIGVDMYXWCO-YCPHGPKFSA-N 2 1 317.408 2.816 20 0 DFADMP O=C1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(F)ccc2N1 ZINC000360612336 428367798 /nfs/dbraw/zinc/36/77/98/428367798.db2.gz JFGCIGVDMYXWCO-YCPHGPKFSA-N 2 1 317.408 2.816 20 0 DFADMP CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414675521 428370479 /nfs/dbraw/zinc/37/04/79/428370479.db2.gz TYLVUFNYBWVPMB-KBPBESRZSA-N 2 1 314.433 2.545 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)ccc2O1 ZINC000414676039 428372365 /nfs/dbraw/zinc/37/23/65/428372365.db2.gz UQTZPWBAXMFDSM-UAGQMJEPSA-N 2 1 300.446 2.959 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357073383 428380301 /nfs/dbraw/zinc/38/03/01/428380301.db2.gz LMMIRYOPPGIWQJ-OLZOCXBDSA-N 2 1 314.351 2.626 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357073383 428380307 /nfs/dbraw/zinc/38/03/07/428380307.db2.gz LMMIRYOPPGIWQJ-OLZOCXBDSA-N 2 1 314.351 2.626 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000414702475 428382136 /nfs/dbraw/zinc/38/21/36/428382136.db2.gz XHYJIQZFQQAGOW-ZACQAIPSSA-N 2 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)[nH+]1 ZINC000414702475 428382142 /nfs/dbraw/zinc/38/21/42/428382142.db2.gz XHYJIQZFQQAGOW-ZACQAIPSSA-N 3 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)[nH+]1 ZINC000414702475 428382148 /nfs/dbraw/zinc/38/21/48/428382148.db2.gz XHYJIQZFQQAGOW-ZACQAIPSSA-N 3 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)n1 ZINC000414702473 428382159 /nfs/dbraw/zinc/38/21/59/428382159.db2.gz XHYJIQZFQQAGOW-IKGGRYGDSA-N 2 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)[nH+]1 ZINC000414702473 428382163 /nfs/dbraw/zinc/38/21/63/428382163.db2.gz XHYJIQZFQQAGOW-IKGGRYGDSA-N 3 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)[nH+]1 ZINC000414702473 428382167 /nfs/dbraw/zinc/38/21/67/428382167.db2.gz XHYJIQZFQQAGOW-IKGGRYGDSA-N 3 1 302.466 2.512 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000414714464 428383285 /nfs/dbraw/zinc/38/32/85/428383285.db2.gz PUDBVPMYFLIXIC-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000414715436 428386270 /nfs/dbraw/zinc/38/62/70/428386270.db2.gz WUGCARZAYWNWCL-QZTJIDSGSA-N 2 1 321.509 2.619 20 0 DFADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nncn2C)CC1 ZINC000346966536 428387032 /nfs/dbraw/zinc/38/70/32/428387032.db2.gz OHMCNTISVCGIAU-OAHLLOKOSA-N 2 1 307.486 2.710 20 0 DFADMP COc1ccccc1/C=C\C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414869063 428439176 /nfs/dbraw/zinc/43/91/76/428439176.db2.gz BGWOHWIRPKCQSP-UITAMQMPSA-N 2 1 311.429 2.873 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347089731 428440344 /nfs/dbraw/zinc/44/03/44/428440344.db2.gz DJYMBYYOSOMVCI-YIONKMFJSA-N 2 1 314.408 2.931 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347089731 428440349 /nfs/dbraw/zinc/44/03/49/428440349.db2.gz DJYMBYYOSOMVCI-YIONKMFJSA-N 2 1 314.408 2.931 20 0 DFADMP COc1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1OC ZINC000360792446 428440627 /nfs/dbraw/zinc/44/06/27/428440627.db2.gz VSIYAQGMLPYRCC-IKGGRYGDSA-N 2 1 316.445 2.620 20 0 DFADMP CC(C)n1ccc(C[C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)n1 ZINC000414877689 428440863 /nfs/dbraw/zinc/44/08/63/428440863.db2.gz MOGKJXZQDSCPDE-MRXNPFEDSA-N 2 1 315.465 2.560 20 0 DFADMP Cc1cccn2c(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)cnc12 ZINC000360790187 428440876 /nfs/dbraw/zinc/44/08/76/428440876.db2.gz BSTKEGZCDLQMCD-BPQIPLTHSA-N 2 1 310.445 2.559 20 0 DFADMP CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357224953 428443646 /nfs/dbraw/zinc/44/36/46/428443646.db2.gz BZGCVAFMKFDBLW-QXAKKESOSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414883387 428443717 /nfs/dbraw/zinc/44/37/17/428443717.db2.gz ADODEOGRMYSQIW-JTQLQIEISA-N 2 1 323.238 2.666 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347097795 428445641 /nfs/dbraw/zinc/44/56/41/428445641.db2.gz KCAXZRYXMDSDBE-INIZCTEOSA-N 2 1 311.429 2.831 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347097795 428445644 /nfs/dbraw/zinc/44/56/44/428445644.db2.gz KCAXZRYXMDSDBE-INIZCTEOSA-N 2 1 311.429 2.831 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(C3CC3)cs2)CC1 ZINC000342759266 428448241 /nfs/dbraw/zinc/44/82/41/428448241.db2.gz XPCFKDYRLJSMNT-ZDUSSCGKSA-N 2 1 323.506 2.545 20 0 DFADMP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233892 428448694 /nfs/dbraw/zinc/44/86/94/428448694.db2.gz RTCMSXNABMUYKB-NZSAHSFTSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000347108380 428450038 /nfs/dbraw/zinc/45/00/38/428450038.db2.gz MRXPOVGVDUYDIP-RISCZKNCSA-N 2 1 302.340 2.797 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898926 428450073 /nfs/dbraw/zinc/45/00/73/428450073.db2.gz AYOGDSCJNKNIFL-CYBMUJFWSA-N 2 1 313.239 2.689 20 0 DFADMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379655312 428450476 /nfs/dbraw/zinc/45/04/76/428450476.db2.gz LLCUFQLWCSCUJD-MSOLQXFVSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000414902370 428451420 /nfs/dbraw/zinc/45/14/20/428451420.db2.gz HFMUECPDORAXIN-QRQLOZEOSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000414902370 428451428 /nfs/dbraw/zinc/45/14/28/428451428.db2.gz HFMUECPDORAXIN-QRQLOZEOSA-N 2 1 301.478 2.801 20 0 DFADMP C[N@H+](Cc1ccc(Br)c(F)c1)C1CC[NH2+]CC1 ZINC000347112010 428452266 /nfs/dbraw/zinc/45/22/66/428452266.db2.gz QTMOIYDKDGJHFX-UHFFFAOYSA-N 2 1 301.203 2.772 20 0 DFADMP C[N@@H+](Cc1ccc(Br)c(F)c1)C1CC[NH2+]CC1 ZINC000347112010 428452270 /nfs/dbraw/zinc/45/22/70/428452270.db2.gz QTMOIYDKDGJHFX-UHFFFAOYSA-N 2 1 301.203 2.772 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000360824905 428454148 /nfs/dbraw/zinc/45/41/48/428454148.db2.gz KOBQRERZHKSJPP-ROUUACIJSA-N 2 1 310.445 2.804 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000360824905 428454153 /nfs/dbraw/zinc/45/41/53/428454153.db2.gz KOBQRERZHKSJPP-ROUUACIJSA-N 2 1 310.445 2.804 20 0 DFADMP OCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000380964545 428454194 /nfs/dbraw/zinc/45/41/94/428454194.db2.gz XZTBKYYVYZEXMY-FQEVSTJZSA-N 2 1 310.441 2.791 20 0 DFADMP COc1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(SC)cc1OC ZINC000414914824 428454284 /nfs/dbraw/zinc/45/42/84/428454284.db2.gz YKDDRSZSVCEZFB-QGZVFWFLSA-N 2 1 324.490 2.905 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)c(C)c1 ZINC000353258254 428454345 /nfs/dbraw/zinc/45/43/45/428454345.db2.gz LRMVFKROUFXNBF-KRWDZBQOSA-N 2 1 304.478 2.889 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)c(C)c1 ZINC000353258254 428454350 /nfs/dbraw/zinc/45/43/50/428454350.db2.gz LRMVFKROUFXNBF-KRWDZBQOSA-N 2 1 304.478 2.889 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414929790 428460587 /nfs/dbraw/zinc/46/05/87/428460587.db2.gz PALLVZRSNQBODG-BBRMVZONSA-N 2 1 321.440 2.911 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347137367 428463750 /nfs/dbraw/zinc/46/37/50/428463750.db2.gz UGQQDKZFUTXWQK-QWHCGFSZSA-N 2 1 302.397 2.775 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347137367 428463755 /nfs/dbraw/zinc/46/37/55/428463755.db2.gz UGQQDKZFUTXWQK-QWHCGFSZSA-N 2 1 302.397 2.775 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000372568085 428465828 /nfs/dbraw/zinc/46/58/28/428465828.db2.gz HBJYKEGYVUZIBU-CYBMUJFWSA-N 2 1 311.389 2.527 20 0 DFADMP FC(F)(F)Oc1cccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000372564932 428466213 /nfs/dbraw/zinc/46/62/13/428466213.db2.gz QFCZRXQCBXPWCO-LBPRGKRZSA-N 2 1 311.307 2.886 20 0 DFADMP COCCCCC[N@@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000372573740 428466541 /nfs/dbraw/zinc/46/65/41/428466541.db2.gz MSIWTOVFCLBDGK-ROUUACIJSA-N 2 1 305.466 2.823 20 0 DFADMP COc1ccc(Cl)cc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414799192 428417068 /nfs/dbraw/zinc/41/70/68/428417068.db2.gz ZYAVPNJTFLWMHP-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(Cl)cc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414799192 428417073 /nfs/dbraw/zinc/41/70/73/428417073.db2.gz ZYAVPNJTFLWMHP-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414821097 428421070 /nfs/dbraw/zinc/42/10/70/428421070.db2.gz BSCOSAQTSWBMDF-CHWSQXEVSA-N 2 1 309.841 2.707 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)c(Cl)c1)C1CC1 ZINC000414814747 428421229 /nfs/dbraw/zinc/42/12/29/428421229.db2.gz RVKUPTGUVMPRRB-LBPRGKRZSA-N 2 1 303.631 2.929 20 0 DFADMP COc1ccc2nc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)sc2c1 ZINC000414818583 428421565 /nfs/dbraw/zinc/42/15/65/428421565.db2.gz FMOSQFZRYFNQGX-VXGBXAGGSA-N 2 1 305.447 2.783 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000353190272 428422420 /nfs/dbraw/zinc/42/24/20/428422420.db2.gz ZBGKDRAVSVUHMO-FZKQIMNGSA-N 2 1 314.433 2.875 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000347044304 428422806 /nfs/dbraw/zinc/42/28/06/428422806.db2.gz MXROZGWVQPBMID-AAEUAGOBSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000347044304 428422815 /nfs/dbraw/zinc/42/28/15/428422815.db2.gz MXROZGWVQPBMID-AAEUAGOBSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]([NH3+])CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414823764 428423825 /nfs/dbraw/zinc/42/38/25/428423825.db2.gz PIWSROVIAVWMSK-JTQLQIEISA-N 2 1 323.238 2.666 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414826498 428424876 /nfs/dbraw/zinc/42/48/76/428424876.db2.gz WBBLGZRUNRKVKT-ZFWWWQNUSA-N 2 1 316.424 2.798 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347053548 428426425 /nfs/dbraw/zinc/42/64/25/428426425.db2.gz SNMMOPQDOHPRLF-GOEBONIOSA-N 2 1 306.450 2.791 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414833290 428427746 /nfs/dbraw/zinc/42/77/46/428427746.db2.gz RPRHUKBUUYDNNS-CQSZACIVSA-N 2 1 318.852 2.923 20 0 DFADMP CCC[N@@H+](Cc1cc(-n2ccnc2)cs1)C1CC[NH2+]CC1 ZINC000347072499 428432866 /nfs/dbraw/zinc/43/28/66/428432866.db2.gz QYOJUCUODOHULE-UHFFFAOYSA-N 2 1 304.463 2.898 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414853767 428433352 /nfs/dbraw/zinc/43/33/52/428433352.db2.gz YBYWHXBFKRWHPM-JSGCOSHPSA-N 2 1 309.841 2.707 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196586 428481833 /nfs/dbraw/zinc/48/18/33/428481833.db2.gz DGQUMGAMOOATEW-HZPDHXFCSA-N 2 1 323.481 2.674 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414991623 428481899 /nfs/dbraw/zinc/48/18/99/428481899.db2.gz QTNRRGBBMFETCV-CYBMUJFWSA-N 2 1 312.339 2.922 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)c2O1 ZINC000414994078 428482234 /nfs/dbraw/zinc/48/22/34/428482234.db2.gz CYWKSOQFKSQIFU-CQSZACIVSA-N 2 1 310.388 2.735 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414998156 428486507 /nfs/dbraw/zinc/48/65/07/428486507.db2.gz HZCUBKNAOXTHSM-GFCCVEGCSA-N 2 1 316.779 2.609 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)[C@@H](C)C1 ZINC000372682028 428486989 /nfs/dbraw/zinc/48/69/89/428486989.db2.gz LJKYGUAIXGHEDX-BQFCYCMXSA-N 2 1 301.478 2.615 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394422728 428488554 /nfs/dbraw/zinc/48/85/54/428488554.db2.gz SHQMZWSFCMCMCJ-PMACEKPBSA-N 2 1 324.472 2.895 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394422728 428488562 /nfs/dbraw/zinc/48/85/62/428488562.db2.gz SHQMZWSFCMCMCJ-PMACEKPBSA-N 2 1 324.472 2.895 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@@H]1CCOC1 ZINC000360912903 428489211 /nfs/dbraw/zinc/48/92/11/428489211.db2.gz NEYPUARHPPJPOA-NZSAHSFTSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@@H]1CCOC1 ZINC000360912903 428489215 /nfs/dbraw/zinc/48/92/15/428489215.db2.gz NEYPUARHPPJPOA-NZSAHSFTSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)C[C@@H]1CCOC1 ZINC000360912903 428489219 /nfs/dbraw/zinc/48/92/19/428489219.db2.gz NEYPUARHPPJPOA-NZSAHSFTSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)C[C@@H]1CCOC1 ZINC000360912903 428489223 /nfs/dbraw/zinc/48/92/23/428489223.db2.gz NEYPUARHPPJPOA-NZSAHSFTSA-N 2 1 302.462 2.865 20 0 DFADMP COc1ccc(Oc2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC000415038287 428496086 /nfs/dbraw/zinc/49/60/86/428496086.db2.gz NXAPTTAWQJHJHN-BWTSREIZSA-N 2 1 310.397 2.795 20 0 DFADMP C[N@H+](Cc1ccc(F)cn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372730443 428496175 /nfs/dbraw/zinc/49/61/75/428496175.db2.gz WVUFOGCMWPQYIO-UHFFFAOYSA-N 2 1 314.408 2.964 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415046658 428497650 /nfs/dbraw/zinc/49/76/50/428497650.db2.gz CZURDSOXHSVMLA-OWOJBTEDSA-N 2 1 317.452 2.645 20 0 DFADMP COc1cccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1OC(C)C ZINC000415052019 428500469 /nfs/dbraw/zinc/50/04/69/428500469.db2.gz GOBRVDZEQFGOGF-RDTXWAMCSA-N 2 1 306.450 2.899 20 0 DFADMP COc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1OC(C)C ZINC000415052019 428500476 /nfs/dbraw/zinc/50/04/76/428500476.db2.gz GOBRVDZEQFGOGF-RDTXWAMCSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000360942388 428501183 /nfs/dbraw/zinc/50/11/83/428501183.db2.gz OWCQHUHOUHXSNJ-FPCVCCKLSA-N 3 1 318.509 2.814 20 0 DFADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000360942388 428501188 /nfs/dbraw/zinc/50/11/88/428501188.db2.gz OWCQHUHOUHXSNJ-FPCVCCKLSA-N 3 1 318.509 2.814 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000396622637 428501200 /nfs/dbraw/zinc/50/12/00/428501200.db2.gz VGNBOPACNOYJAK-CAMMJAKZSA-N 2 1 301.478 2.770 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000342994880 428502300 /nfs/dbraw/zinc/50/23/00/428502300.db2.gz AIRYTKHQARIYTL-AEFFLSMTSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000342994880 428502303 /nfs/dbraw/zinc/50/23/03/428502303.db2.gz AIRYTKHQARIYTL-AEFFLSMTSA-N 2 1 314.408 2.728 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360944710 428502806 /nfs/dbraw/zinc/50/28/06/428502806.db2.gz ABEGQNAJBRTTSU-IXDOHACOSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000415059614 428502953 /nfs/dbraw/zinc/50/29/53/428502953.db2.gz VCBPNQRCCBOQES-QHGAOEGBSA-N 2 1 315.505 2.671 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NCC(C)C ZINC000360945790 428504314 /nfs/dbraw/zinc/50/43/14/428504314.db2.gz GQXMXIGIMSDETP-IKGGRYGDSA-N 2 1 311.514 2.637 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000415060317 428506300 /nfs/dbraw/zinc/50/63/00/428506300.db2.gz WGSZDPTZUJTKBZ-HNNXBMFYSA-N 2 1 300.406 2.732 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000360955822 428507429 /nfs/dbraw/zinc/50/74/29/428507429.db2.gz DGSXFRIDNGQIAD-BZSNNMDCSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000415061095 428507718 /nfs/dbraw/zinc/50/77/18/428507718.db2.gz XXMACZOVHRMEMU-VNCLNFNDSA-N 2 1 319.468 2.735 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[N@H+]1C1CC1 ZINC000372967065 428508065 /nfs/dbraw/zinc/50/80/65/428508065.db2.gz SWWJDLFHQYTAHK-RKVPGOIHSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[NH+]1C1CC1 ZINC000372967065 428508069 /nfs/dbraw/zinc/50/80/69/428508069.db2.gz SWWJDLFHQYTAHK-RKVPGOIHSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[NH+]1C1CC1 ZINC000372967065 428508074 /nfs/dbraw/zinc/50/80/74/428508074.db2.gz SWWJDLFHQYTAHK-RKVPGOIHSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1C[NH3+] ZINC000415130688 428531597 /nfs/dbraw/zinc/53/15/97/428531597.db2.gz RJWVADLIWLGIHF-JSGCOSHPSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1C[NH3+] ZINC000415130688 428531602 /nfs/dbraw/zinc/53/16/02/428531602.db2.gz RJWVADLIWLGIHF-JSGCOSHPSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360956257 428508978 /nfs/dbraw/zinc/50/89/78/428508978.db2.gz UKXPSINGCLMQPY-CHWSQXEVSA-N 2 1 314.424 2.815 20 0 DFADMP C[N@@H+](Cc1ccc(Sc2ccccc2)cc1)C[C@@H](O)C[NH3+] ZINC000415067068 428509135 /nfs/dbraw/zinc/50/91/35/428509135.db2.gz JYYCVDFODLCQRV-HNNXBMFYSA-N 2 1 302.443 2.589 20 0 DFADMP C[N@H+](Cc1ccc(Sc2ccccc2)cc1)C[C@@H](O)C[NH3+] ZINC000415067068 428509142 /nfs/dbraw/zinc/50/91/42/428509142.db2.gz JYYCVDFODLCQRV-HNNXBMFYSA-N 2 1 302.443 2.589 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000397338207 428510777 /nfs/dbraw/zinc/51/07/77/428510777.db2.gz CLDUSZJNSPYPAX-MCIONIFRSA-N 2 1 323.868 2.974 20 0 DFADMP CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000357392413 428511370 /nfs/dbraw/zinc/51/13/70/428511370.db2.gz SWONOUOJXWTPAW-HZPDHXFCSA-N 2 1 305.470 2.523 20 0 DFADMP CC(C)n1cnnc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000357392413 428511372 /nfs/dbraw/zinc/51/13/72/428511372.db2.gz SWONOUOJXWTPAW-HZPDHXFCSA-N 2 1 305.470 2.523 20 0 DFADMP CC(C)n1cnnc1[C@@H]1CCC[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000357392413 428511373 /nfs/dbraw/zinc/51/13/73/428511373.db2.gz SWONOUOJXWTPAW-HZPDHXFCSA-N 2 1 305.470 2.523 20 0 DFADMP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@H]([NH3+])CC(C)C)n1 ZINC000415076782 428513331 /nfs/dbraw/zinc/51/33/31/428513331.db2.gz BKFIZWGQFUGJTL-QGZVFWFLSA-N 2 1 300.450 2.952 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000415085457 428515071 /nfs/dbraw/zinc/51/50/71/428515071.db2.gz IFUWAGMUJAJGMI-RWMBFGLXSA-N 2 1 310.413 2.882 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@@H]3CCN(c4ccccn4)C3)CC[NH2+]2)cc1 ZINC000415086417 428516855 /nfs/dbraw/zinc/51/68/55/428516855.db2.gz ROGMHGBVBATMSV-OTWHNJEPSA-N 2 1 322.456 2.743 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+][C@@H]1C ZINC000398113437 428517687 /nfs/dbraw/zinc/51/76/87/428517687.db2.gz DVDTXPIMNNXKQT-ZAWLATJESA-N 2 1 301.478 2.627 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000373183216 428521480 /nfs/dbraw/zinc/52/14/80/428521480.db2.gz OUKGZSFBHZQROD-WMZOPIPTSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000373183216 428521484 /nfs/dbraw/zinc/52/14/84/428521484.db2.gz OUKGZSFBHZQROD-WMZOPIPTSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000373183216 428521490 /nfs/dbraw/zinc/52/14/90/428521490.db2.gz OUKGZSFBHZQROD-WMZOPIPTSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415104428 428522663 /nfs/dbraw/zinc/52/26/63/428522663.db2.gz GXHWHFYDFATVIZ-DOMZBBRYSA-N 2 1 316.367 2.859 20 0 DFADMP C[C@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415104428 428522671 /nfs/dbraw/zinc/52/26/71/428522671.db2.gz GXHWHFYDFATVIZ-DOMZBBRYSA-N 2 1 316.367 2.859 20 0 DFADMP CC(C)CCOc1ccc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415112806 428524106 /nfs/dbraw/zinc/52/41/06/428524106.db2.gz QUSASJZBMDXOKV-SFHVURJKSA-N 2 1 306.450 2.661 20 0 DFADMP CC(C)CCOc1ccc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000415112806 428524114 /nfs/dbraw/zinc/52/41/14/428524114.db2.gz QUSASJZBMDXOKV-SFHVURJKSA-N 2 1 306.450 2.661 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415119275 428525652 /nfs/dbraw/zinc/52/56/52/428525652.db2.gz FFLKWEQPWYNNRJ-RDJZCZTQSA-N 2 1 306.450 2.519 20 0 DFADMP FC(F)(F)[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC12CCOCC2 ZINC000415117938 428527552 /nfs/dbraw/zinc/52/75/52/428527552.db2.gz XOGPYZJCMHMYTI-CQSZACIVSA-N 2 1 320.399 2.667 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000415123648 428529908 /nfs/dbraw/zinc/52/99/08/428529908.db2.gz PYXNMUBHQCEYQD-QFBILLFUSA-N 2 1 301.478 2.903 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000390125335 428471732 /nfs/dbraw/zinc/47/17/32/428471732.db2.gz GEBSZGKVHSAWOB-OKILXGFUSA-N 2 1 321.852 2.518 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390564819 428472700 /nfs/dbraw/zinc/47/27/00/428472700.db2.gz OLUQPVVBVFNTGZ-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390564819 428472706 /nfs/dbraw/zinc/47/27/06/428472706.db2.gz OLUQPVVBVFNTGZ-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414958773 428473035 /nfs/dbraw/zinc/47/30/35/428473035.db2.gz SJPFCDGTCPMLEK-OFQRWUPVSA-N 2 1 303.450 2.696 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414956058 428473624 /nfs/dbraw/zinc/47/36/24/428473624.db2.gz MXXQZCVAWFORLR-MLGOLLRUSA-N 2 1 304.825 2.613 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414970094 428477523 /nfs/dbraw/zinc/47/75/23/428477523.db2.gz JWMSWZPSIDTPIC-LJQANCHMSA-N 3 1 315.505 2.815 20 0 DFADMP C[C@@H](Cc1ccccc1)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133500 428533210 /nfs/dbraw/zinc/53/32/10/428533210.db2.gz CLZUJQKDOKFWSO-UHOSZYNNSA-N 2 1 314.473 2.566 20 0 DFADMP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000415136671 428534094 /nfs/dbraw/zinc/53/40/94/428534094.db2.gz XMRBZTMMJCIIKD-RYUDHWBXSA-N 2 1 320.387 2.772 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000415136671 428534097 /nfs/dbraw/zinc/53/40/97/428534097.db2.gz XMRBZTMMJCIIKD-RYUDHWBXSA-N 2 1 320.387 2.772 20 0 DFADMP [NH3+]CC1(O)CC[NH+](Cc2cc(C(F)(F)F)ccc2Cl)CC1 ZINC000415140584 428537389 /nfs/dbraw/zinc/53/73/89/428537389.db2.gz KUKVGEZTOMPIPI-UHFFFAOYSA-N 2 1 322.758 2.644 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400356612 428543921 /nfs/dbraw/zinc/54/39/21/428543921.db2.gz AHEHUIWLCUQNIB-UKRRQHHQSA-N 2 1 322.453 2.569 20 0 DFADMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400365876 428544477 /nfs/dbraw/zinc/54/44/77/428544477.db2.gz DZQUPNTVGNDDDB-AEFFLSMTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400365876 428544484 /nfs/dbraw/zinc/54/44/84/428544484.db2.gz DZQUPNTVGNDDDB-AEFFLSMTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400478997 428545888 /nfs/dbraw/zinc/54/58/88/428545888.db2.gz VSEHOTSKVPOMNP-RNIPGJKVSA-N 2 1 301.478 2.770 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2OC)C1 ZINC000361191428 428546662 /nfs/dbraw/zinc/54/66/62/428546662.db2.gz SHNCTWACFUIZGN-QGZVFWFLSA-N 2 1 324.440 2.767 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400757438 428549436 /nfs/dbraw/zinc/54/94/36/428549436.db2.gz XIIYKCRLCURUST-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400757438 428549440 /nfs/dbraw/zinc/54/94/40/428549440.db2.gz XIIYKCRLCURUST-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3ncc[nH]3)CC2)cs1 ZINC000373342615 428552616 /nfs/dbraw/zinc/55/26/16/428552616.db2.gz AYHUJKBIYSXPGL-GFCCVEGCSA-N 2 1 319.478 2.737 20 0 DFADMP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)CC1 ZINC000373345051 428553299 /nfs/dbraw/zinc/55/32/99/428553299.db2.gz DHCZSAVHKNTHQA-NEXFUWMNSA-N 2 1 320.399 2.808 20 0 DFADMP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)CC1 ZINC000373345051 428553305 /nfs/dbraw/zinc/55/33/05/428553305.db2.gz DHCZSAVHKNTHQA-NEXFUWMNSA-N 2 1 320.399 2.808 20 0 DFADMP CC/C=C\CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343540937 428558779 /nfs/dbraw/zinc/55/87/79/428558779.db2.gz XCNBZZLNQKUDLR-SPCWZHTESA-N 2 1 324.509 2.933 20 0 DFADMP CC/C=C\CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343540937 428558788 /nfs/dbraw/zinc/55/87/88/428558788.db2.gz XCNBZZLNQKUDLR-SPCWZHTESA-N 2 1 324.509 2.933 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000402798257 428560559 /nfs/dbraw/zinc/56/05/59/428560559.db2.gz ODHRTCSSYCHMLD-OXQOHEQNSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1C ZINC000404403287 428568586 /nfs/dbraw/zinc/56/85/86/428568586.db2.gz SNQYBEHONDOIBZ-WMLDXEAASA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1C ZINC000404403287 428568590 /nfs/dbraw/zinc/56/85/90/428568590.db2.gz SNQYBEHONDOIBZ-WMLDXEAASA-N 2 1 303.450 2.691 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404425208 428569367 /nfs/dbraw/zinc/56/93/67/428569367.db2.gz LBXFCAJXDATEAG-UKRRQHHQSA-N 2 1 322.449 2.662 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404425208 428569368 /nfs/dbraw/zinc/56/93/68/428569368.db2.gz LBXFCAJXDATEAG-UKRRQHHQSA-N 2 1 322.449 2.662 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(OC)c1OC ZINC000404423294 428569664 /nfs/dbraw/zinc/56/96/64/428569664.db2.gz JUXNFNUNCKAYMT-UKRRQHHQSA-N 2 1 322.449 2.662 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(OC)c1OC ZINC000404423294 428569668 /nfs/dbraw/zinc/56/96/68/428569668.db2.gz JUXNFNUNCKAYMT-UKRRQHHQSA-N 2 1 322.449 2.662 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1C ZINC000404403286 428569818 /nfs/dbraw/zinc/56/98/18/428569818.db2.gz SNQYBEHONDOIBZ-RHSMWYFYSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1C ZINC000404403286 428569820 /nfs/dbraw/zinc/56/98/20/428569820.db2.gz SNQYBEHONDOIBZ-RHSMWYFYSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000343737686 428570189 /nfs/dbraw/zinc/57/01/89/428570189.db2.gz RNBGPXHLVXFPRC-SFHVURJKSA-N 2 1 315.505 2.904 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000358009119 428573820 /nfs/dbraw/zinc/57/38/20/428573820.db2.gz BPPMQLIUWKRFJI-LPHOPBHVSA-N 2 1 315.505 2.753 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCC(O)CC1)c1ccccc1 ZINC000353521930 428575574 /nfs/dbraw/zinc/57/55/74/428575574.db2.gz QZVJRXLIVVGRFK-ACBHZAAOSA-N 2 1 320.477 2.589 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCC(O)CC1)c1ccccc1 ZINC000353521930 428575581 /nfs/dbraw/zinc/57/55/81/428575581.db2.gz QZVJRXLIVVGRFK-ACBHZAAOSA-N 2 1 320.477 2.589 20 0 DFADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CCC2 ZINC000353522082 428575646 /nfs/dbraw/zinc/57/56/46/428575646.db2.gz UAWHLLGVVQKFTC-YLFCFFPRSA-N 2 1 302.466 2.531 20 0 DFADMP COC1(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCCC1 ZINC000361580060 428578790 /nfs/dbraw/zinc/57/87/90/428578790.db2.gz VSKIJOFLUNPMFI-CALCHBBNSA-N 2 1 324.509 2.767 20 0 DFADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353526549 428578947 /nfs/dbraw/zinc/57/89/47/428578947.db2.gz AZWQFNHLSJDISW-CWQOZTLDSA-N 2 1 321.509 2.532 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000343845107 428579277 /nfs/dbraw/zinc/57/92/77/428579277.db2.gz AIFHHHIXGLXYAB-LZLYRXPVSA-N 2 1 321.534 2.890 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000343845107 428579284 /nfs/dbraw/zinc/57/92/84/428579284.db2.gz AIFHHHIXGLXYAB-LZLYRXPVSA-N 2 1 321.534 2.890 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000343845107 428579289 /nfs/dbraw/zinc/57/92/89/428579289.db2.gz AIFHHHIXGLXYAB-LZLYRXPVSA-N 2 1 321.534 2.890 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000353568728 428600395 /nfs/dbraw/zinc/60/03/95/428600395.db2.gz BJGFUZSIXBIKMA-YQVWRLOYSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000353568728 428600398 /nfs/dbraw/zinc/60/03/98/428600398.db2.gz BJGFUZSIXBIKMA-YQVWRLOYSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000353568728 428600406 /nfs/dbraw/zinc/60/04/06/428600406.db2.gz BJGFUZSIXBIKMA-YQVWRLOYSA-N 2 1 303.494 2.825 20 0 DFADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)CCC(F)(F)F ZINC000353608005 428619131 /nfs/dbraw/zinc/61/91/31/428619131.db2.gz QUOHMZNVIKGBBM-KFWWJZLASA-N 2 1 321.431 2.723 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000415902967 428622653 /nfs/dbraw/zinc/62/26/53/428622653.db2.gz PTTFPOLRMUWHNY-CABCVRRESA-N 2 1 318.465 2.648 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000415907682 428623339 /nfs/dbraw/zinc/62/33/39/428623339.db2.gz BTGINYVHJMPCET-GJZGRUSLSA-N 2 1 318.465 2.743 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC[NH+]1CCCC1)CC2)C1CC1 ZINC000362106351 428624387 /nfs/dbraw/zinc/62/43/87/428624387.db2.gz NWZMHSRVUCLDDX-QGZVFWFLSA-N 3 1 305.510 2.669 20 0 DFADMP C[N@H+](C[C@H]1CC12CCN(CCC[NH+]1CCCC1)CC2)C1CC1 ZINC000362106351 428624393 /nfs/dbraw/zinc/62/43/93/428624393.db2.gz NWZMHSRVUCLDDX-QGZVFWFLSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@@H+](C[C@H]1CC12CCN(CCC[NH+]1CCCC1)CC2)C1CC1 ZINC000362106351 428624398 /nfs/dbraw/zinc/62/43/98/428624398.db2.gz NWZMHSRVUCLDDX-QGZVFWFLSA-N 2 1 305.510 2.669 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)C[C@H]1C ZINC000347867673 428627450 /nfs/dbraw/zinc/62/74/50/428627450.db2.gz PVVFXYVCHQUNTH-KGLIPLIRSA-N 2 1 310.511 2.509 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)C[C@H]1C ZINC000347867673 428627454 /nfs/dbraw/zinc/62/74/54/428627454.db2.gz PVVFXYVCHQUNTH-KGLIPLIRSA-N 2 1 310.511 2.509 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705412 428634785 /nfs/dbraw/zinc/63/47/85/428634785.db2.gz MFZJSFBRVPMQGE-DLBZAZTESA-N 2 1 323.525 2.735 20 0 DFADMP CCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(C)n1 ZINC000353628790 428631900 /nfs/dbraw/zinc/63/19/00/428631900.db2.gz BWAZIROJPFGQDL-KZNAEPCWSA-N 2 1 304.482 2.954 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415969315 428637253 /nfs/dbraw/zinc/63/72/53/428637253.db2.gz FVBAIXCBSJWJAD-LSDHHAIUSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NCCCCn2cc[nH+]c2C)cc1 ZINC000415974181 428639974 /nfs/dbraw/zinc/63/99/74/428639974.db2.gz QEHBZFZUFUZTGD-UHFFFAOYSA-N 2 1 315.421 2.513 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000353654904 428641926 /nfs/dbraw/zinc/64/19/26/428641926.db2.gz WDJHWFJONXNCFU-LJQANCHMSA-N 2 1 319.493 2.755 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001904 428645873 /nfs/dbraw/zinc/64/58/73/428645873.db2.gz CNMXUJQMCNVJQK-ZDUSSCGKSA-N 2 1 304.438 2.532 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000344462721 428653448 /nfs/dbraw/zinc/65/34/48/428653448.db2.gz VQSCBTPHAIIPDU-QAPCUYQASA-N 2 1 313.449 2.643 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152784680 274339861 /nfs/dbraw/zinc/33/98/61/274339861.db2.gz XXQGVPXXOMALPM-JEWRLFTDSA-N 2 1 319.468 2.970 20 0 DFADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374255026 428669276 /nfs/dbraw/zinc/66/92/76/428669276.db2.gz OSQLGHAVMWNCBF-IEBWSBKVSA-N 2 1 307.526 2.915 20 0 DFADMP c1cn2c(CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(C3CC3)nc2s1 ZINC000362253581 428675148 /nfs/dbraw/zinc/67/51/48/428675148.db2.gz FRQQEBOTFFDAQX-ZIAGYGMSSA-N 2 1 316.474 2.990 20 0 DFADMP c1cn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C3CC3)nc2s1 ZINC000362253581 428675151 /nfs/dbraw/zinc/67/51/51/428675151.db2.gz FRQQEBOTFFDAQX-ZIAGYGMSSA-N 2 1 316.474 2.990 20 0 DFADMP c1cn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(C3CC3)nc2s1 ZINC000362253581 428675154 /nfs/dbraw/zinc/67/51/54/428675154.db2.gz FRQQEBOTFFDAQX-ZIAGYGMSSA-N 2 1 316.474 2.990 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000362400187 428733710 /nfs/dbraw/zinc/73/37/10/428733710.db2.gz FQJDYSASXJRPEC-DLBZAZTESA-N 2 1 302.466 2.751 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000362400187 428733716 /nfs/dbraw/zinc/73/37/16/428733716.db2.gz FQJDYSASXJRPEC-DLBZAZTESA-N 2 1 302.466 2.751 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000362400187 428733721 /nfs/dbraw/zinc/73/37/21/428733721.db2.gz FQJDYSASXJRPEC-DLBZAZTESA-N 2 1 302.466 2.751 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000348355954 428718565 /nfs/dbraw/zinc/71/85/65/428718565.db2.gz NDDBVBQKZCSLHP-CQSZACIVSA-N 2 1 323.456 2.511 20 0 DFADMP CCn1cc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000348376060 428725985 /nfs/dbraw/zinc/72/59/85/428725985.db2.gz IYCRZYZPQBZYMN-DOTOQJQBSA-N 2 1 304.482 2.688 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000348403399 428733207 /nfs/dbraw/zinc/73/32/07/428733207.db2.gz LVGGUHNOEFFESI-KEYYUXOJSA-N 2 1 310.869 2.736 20 0 DFADMP C[C@H](CN(C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000348275049 428689013 /nfs/dbraw/zinc/68/90/13/428689013.db2.gz BOCIVSXUCGYEMQ-IPJUCJBFSA-N 3 1 303.494 2.969 20 0 DFADMP c1ccc(CN2CCC[C@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000348277633 428690419 /nfs/dbraw/zinc/69/04/19/428690419.db2.gz SWXNBBHTYNJYPP-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000348277633 428690427 /nfs/dbraw/zinc/69/04/27/428690427.db2.gz SWXNBBHTYNJYPP-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000348277633 428690433 /nfs/dbraw/zinc/69/04/33/428690433.db2.gz SWXNBBHTYNJYPP-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201494 428690877 /nfs/dbraw/zinc/69/08/77/428690877.db2.gz GEPORBPTIOULJP-ZWKOTPCHSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000353749212 428691403 /nfs/dbraw/zinc/69/14/03/428691403.db2.gz UYYRFLHCMXWXOR-HOCLYGCPSA-N 2 1 304.434 2.762 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000353749212 428691407 /nfs/dbraw/zinc/69/14/07/428691407.db2.gz UYYRFLHCMXWXOR-HOCLYGCPSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000353749212 428691413 /nfs/dbraw/zinc/69/14/13/428691413.db2.gz UYYRFLHCMXWXOR-HOCLYGCPSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000353749212 428691418 /nfs/dbraw/zinc/69/14/18/428691418.db2.gz UYYRFLHCMXWXOR-HOCLYGCPSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCc3ccc(Cl)cc3)C2)CC1 ZINC000362296809 428692442 /nfs/dbraw/zinc/69/24/42/428692442.db2.gz AUYGYIKOFNITQG-SFHVURJKSA-N 2 1 321.896 2.594 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353753636 428694916 /nfs/dbraw/zinc/69/49/16/428694916.db2.gz MCTLREPFHZMMQJ-NJAFHUGGSA-N 2 1 317.477 2.531 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000353750898 428695117 /nfs/dbraw/zinc/69/51/17/428695117.db2.gz OSCCCRCYOVQIHS-RHSMWYFYSA-N 2 1 313.449 2.776 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000353750898 428695124 /nfs/dbraw/zinc/69/51/24/428695124.db2.gz OSCCCRCYOVQIHS-RHSMWYFYSA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000353750898 428695129 /nfs/dbraw/zinc/69/51/29/428695129.db2.gz OSCCCRCYOVQIHS-RHSMWYFYSA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000353750898 428695135 /nfs/dbraw/zinc/69/51/35/428695135.db2.gz OSCCCRCYOVQIHS-RHSMWYFYSA-N 2 1 313.449 2.776 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232389 428695578 /nfs/dbraw/zinc/69/55/78/428695578.db2.gz FOAJIJHLEJJFCX-DOTOQJQBSA-N 2 1 305.466 2.524 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000353869354 428755926 /nfs/dbraw/zinc/75/59/26/428755926.db2.gz QRGWDSXPMZWRRE-MAUKXSAKSA-N 2 1 306.450 2.532 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000353869356 428756270 /nfs/dbraw/zinc/75/62/70/428756270.db2.gz QRGWDSXPMZWRRE-QAPCUYQASA-N 2 1 306.450 2.532 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@H](C)C1 ZINC000359005912 428771732 /nfs/dbraw/zinc/77/17/32/428771732.db2.gz WYJSKEVBPUTOSM-KGLIPLIRSA-N 2 1 304.425 2.758 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)CC(C)C ZINC000359014568 428772196 /nfs/dbraw/zinc/77/21/96/428772196.db2.gz VDCSPFRGCYLDJG-SFHVURJKSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1)CC(C)C ZINC000359014568 428772200 /nfs/dbraw/zinc/77/22/00/428772200.db2.gz VDCSPFRGCYLDJG-SFHVURJKSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1)CC(C)C ZINC000359014568 428772203 /nfs/dbraw/zinc/77/22/03/428772203.db2.gz VDCSPFRGCYLDJG-SFHVURJKSA-N 2 1 323.525 2.687 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C)n2)[C@H](C)C1 ZINC000359018763 428775549 /nfs/dbraw/zinc/77/55/49/428775549.db2.gz YZPOWTDHMRXMJV-APWZRJJASA-N 2 1 319.493 2.659 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN(C)C[C@H]3CCC[C@H]3O)sc2C1 ZINC000374907215 428780427 /nfs/dbraw/zinc/78/04/27/428780427.db2.gz DTYZUQNSPXLAJZ-UKRRQHHQSA-N 2 1 323.506 2.502 20 0 DFADMP CC(C)C[C@]1(CO)CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348436646 428745699 /nfs/dbraw/zinc/74/56/99/428745699.db2.gz MMSZSIJNKMDTPM-INIZCTEOSA-N 2 1 311.495 2.578 20 0 DFADMP CC(C)C[C@]1(CO)CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348436646 428745702 /nfs/dbraw/zinc/74/57/02/428745702.db2.gz MMSZSIJNKMDTPM-INIZCTEOSA-N 2 1 311.495 2.578 20 0 DFADMP CCCc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000358955240 428747675 /nfs/dbraw/zinc/74/76/75/428747675.db2.gz PYJNKVIOYAUUPL-IBGZPJMESA-N 2 1 304.478 2.822 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCCOC)cc2)[C@H](C)C1 ZINC000353851811 428749730 /nfs/dbraw/zinc/74/97/30/428749730.db2.gz ANJJFNNUFSXSDK-VQIMIIECSA-N 2 1 320.477 2.922 20 0 DFADMP OC[C@@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411150287 428749906 /nfs/dbraw/zinc/74/99/06/428749906.db2.gz VVYZTCCAYUJRMJ-LJQANCHMSA-N 2 1 302.462 2.877 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358966200 428751200 /nfs/dbraw/zinc/75/12/00/428751200.db2.gz ODHMMGTZIGANIC-WBVHZDCISA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358966200 428751204 /nfs/dbraw/zinc/75/12/04/428751204.db2.gz ODHMMGTZIGANIC-WBVHZDCISA-N 2 1 304.482 2.755 20 0 DFADMP CC(CC[NH+](C)[C@H]1CCCOC1)CC[N@@H+](C)[C@H]1CCCOC1 ZINC000411721211 428848152 /nfs/dbraw/zinc/84/81/52/428848152.db2.gz ROPNBVFIORANKI-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000375039785 428797071 /nfs/dbraw/zinc/79/70/71/428797071.db2.gz NNAKJNGJFCRENK-ZWKOTPCHSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362669183 428798713 /nfs/dbraw/zinc/79/87/13/428798713.db2.gz UHTKWDQGAIPKMM-SOLBZPMBSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000348832446 428852614 /nfs/dbraw/zinc/85/26/14/428852614.db2.gz LCSBBURWKONAPH-BLLLJJGKSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000348832446 428852617 /nfs/dbraw/zinc/85/26/17/428852617.db2.gz LCSBBURWKONAPH-BLLLJJGKSA-N 2 1 323.868 2.542 20 0 DFADMP Cc1nnc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC000411554726 428815608 /nfs/dbraw/zinc/81/56/08/428815608.db2.gz UKHZEEGTHRBDEO-ZQIUZPCESA-N 2 1 313.449 2.674 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000411549582 428817273 /nfs/dbraw/zinc/81/72/73/428817273.db2.gz HNOOHYPIJBTSLG-BZSNNMDCSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1O ZINC000411568506 428819344 /nfs/dbraw/zinc/81/93/44/428819344.db2.gz LBKIJANSAYASSG-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411607209 428821768 /nfs/dbraw/zinc/82/17/68/428821768.db2.gz JOVJXEJDZBADRT-MSOLQXFVSA-N 2 1 306.425 2.577 20 0 DFADMP OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411607209 428821775 /nfs/dbraw/zinc/82/17/75/428821775.db2.gz JOVJXEJDZBADRT-MSOLQXFVSA-N 2 1 306.425 2.577 20 0 DFADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599731 428823260 /nfs/dbraw/zinc/82/32/60/428823260.db2.gz COJQVPOITCRGDG-WMZOPIPTSA-N 2 1 323.525 2.876 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCC[C@@H]1C ZINC000411619498 428826327 /nfs/dbraw/zinc/82/63/27/428826327.db2.gz XKMFJZRAGXTVOQ-WMZOPIPTSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@@H+](Cc1cnc(C(C)(C)C)nc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375270094 428837570 /nfs/dbraw/zinc/83/75/70/428837570.db2.gz SWVYLXJGLVWIAQ-CQSZACIVSA-N 2 1 313.449 2.665 20 0 DFADMP C[N@H+](Cc1cnc(C(C)(C)C)nc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375270094 428837574 /nfs/dbraw/zinc/83/75/74/428837574.db2.gz SWVYLXJGLVWIAQ-CQSZACIVSA-N 2 1 313.449 2.665 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000348799417 428842541 /nfs/dbraw/zinc/84/25/41/428842541.db2.gz JZGZHXIONJFISW-HZPDHXFCSA-N 2 1 323.868 2.543 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000354086269 428856023 /nfs/dbraw/zinc/85/60/23/428856023.db2.gz OFXWSLTXAVOUCO-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359200529 428862252 /nfs/dbraw/zinc/86/22/52/428862252.db2.gz YWZSZRNCVUOQKN-KRWDZBQOSA-N 2 1 301.478 2.582 20 0 DFADMP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359213801 428866252 /nfs/dbraw/zinc/86/62/52/428866252.db2.gz GOAMZRTYXVIZQN-QGZVFWFLSA-N 2 1 315.461 2.727 20 0 DFADMP CCn1ccnc1CN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000363134668 428867702 /nfs/dbraw/zinc/86/77/02/428867702.db2.gz KAIDXCUILODUQE-KRWDZBQOSA-N 2 1 312.461 2.999 20 0 DFADMP C(CN1CCC[N@@H+](CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000359217667 428870512 /nfs/dbraw/zinc/87/05/12/428870512.db2.gz MDSNVZZNXKRUHG-UHFFFAOYSA-N 2 1 307.526 2.964 20 0 DFADMP C(C[N@@H+]1CCCN(CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000359217667 428870516 /nfs/dbraw/zinc/87/05/16/428870516.db2.gz MDSNVZZNXKRUHG-UHFFFAOYSA-N 2 1 307.526 2.964 20 0 DFADMP C(C[N@H+]1CCCN(CC2CCCCC2)CC1)C1CC[NH2+]CC1 ZINC000359217667 428870520 /nfs/dbraw/zinc/87/05/20/428870520.db2.gz MDSNVZZNXKRUHG-UHFFFAOYSA-N 2 1 307.526 2.964 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCCCCF)CC2)C[C@H](C)O1 ZINC000375393126 428871619 /nfs/dbraw/zinc/87/16/19/428871619.db2.gz XLXCWLAVRJXZRW-IYBDPMFKSA-N 2 1 300.462 2.947 20 0 DFADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1F ZINC000411870280 428873481 /nfs/dbraw/zinc/87/34/81/428873481.db2.gz KKNPCOAQPKYLIB-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCCCc3ccccc3)CC2)C1 ZINC000375401683 428876204 /nfs/dbraw/zinc/87/62/04/428876204.db2.gz HKXYVPRAOKIIMS-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP C[C@@H](CCCC[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418133813 428886217 /nfs/dbraw/zinc/88/62/17/428886217.db2.gz LJISZFKOPDNLSP-DOTOQJQBSA-N 2 1 324.513 2.600 20 0 DFADMP CCCCNC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375468688 428891704 /nfs/dbraw/zinc/89/17/04/428891704.db2.gz DYMIRTLBHZBQKI-IEBWSBKVSA-N 2 1 317.477 2.575 20 0 DFADMP CCCCNC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375468688 428891710 /nfs/dbraw/zinc/89/17/10/428891710.db2.gz DYMIRTLBHZBQKI-IEBWSBKVSA-N 2 1 317.477 2.575 20 0 DFADMP C[N@H+]1CCC[C@]2(CCN(Cc3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC000354165422 428894428 /nfs/dbraw/zinc/89/44/28/428894428.db2.gz GHYCXXBLEQHHEB-IBGZPJMESA-N 2 1 310.445 2.994 20 0 DFADMP COc1cc(C)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)n1 ZINC000354166322 428894542 /nfs/dbraw/zinc/89/45/42/428894542.db2.gz KUARYDYOUPZDBY-SFHVURJKSA-N 2 1 303.450 2.625 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)n1 ZINC000354166322 428894547 /nfs/dbraw/zinc/89/45/47/428894547.db2.gz KUARYDYOUPZDBY-SFHVURJKSA-N 2 1 303.450 2.625 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)n1 ZINC000354166322 428894551 /nfs/dbraw/zinc/89/45/51/428894551.db2.gz KUARYDYOUPZDBY-SFHVURJKSA-N 2 1 303.450 2.625 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)n1 ZINC000354166322 428894557 /nfs/dbraw/zinc/89/45/57/428894557.db2.gz KUARYDYOUPZDBY-SFHVURJKSA-N 2 1 303.450 2.625 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418192652 428897290 /nfs/dbraw/zinc/89/72/90/428897290.db2.gz ARQWAAHKXRWJIN-GJZGRUSLSA-N 2 1 320.481 2.626 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[NH+]1CCCCCC1 ZINC000359315982 428916506 /nfs/dbraw/zinc/91/65/06/428916506.db2.gz FMQQTVMQXDZFBT-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000349082333 428917367 /nfs/dbraw/zinc/91/73/67/428917367.db2.gz QSRYJKGHQGOWTK-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCCOc2ccccc2)C[C@@H]1C ZINC000354211381 428918756 /nfs/dbraw/zinc/91/87/56/428918756.db2.gz WTSORJSWTDSNFW-ZWKOTPCHSA-N 2 1 320.477 2.887 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCOc2ccccc2)C[C@@H]1C ZINC000354211381 428918762 /nfs/dbraw/zinc/91/87/62/428918762.db2.gz WTSORJSWTDSNFW-ZWKOTPCHSA-N 2 1 320.477 2.887 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCOc2ccccc2)C[C@@H]1C ZINC000354211381 428918766 /nfs/dbraw/zinc/91/87/66/428918766.db2.gz WTSORJSWTDSNFW-ZWKOTPCHSA-N 2 1 320.477 2.887 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212007 428918979 /nfs/dbraw/zinc/91/89/79/428918979.db2.gz ZBHBPSCQTJEIRJ-WBVHZDCISA-N 2 1 303.450 2.820 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212007 428918985 /nfs/dbraw/zinc/91/89/85/428918985.db2.gz ZBHBPSCQTJEIRJ-WBVHZDCISA-N 2 1 303.450 2.820 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2)C[C@H]1C ZINC000354212007 428918989 /nfs/dbraw/zinc/91/89/89/428918989.db2.gz ZBHBPSCQTJEIRJ-WBVHZDCISA-N 2 1 303.450 2.820 20 0 DFADMP COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000363460017 428921296 /nfs/dbraw/zinc/92/12/96/428921296.db2.gz VQJVBYHHHSGEKF-QRQLOZEOSA-N 2 1 318.461 2.677 20 0 DFADMP COc1ccc([C@H](O)[C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000363460017 428921304 /nfs/dbraw/zinc/92/13/04/428921304.db2.gz VQJVBYHHHSGEKF-QRQLOZEOSA-N 2 1 318.461 2.677 20 0 DFADMP COc1ccc([C@H](O)[C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cc1 ZINC000363460017 428921309 /nfs/dbraw/zinc/92/13/09/428921309.db2.gz VQJVBYHHHSGEKF-QRQLOZEOSA-N 2 1 318.461 2.677 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@]1(C)CCCO ZINC000349123981 428922861 /nfs/dbraw/zinc/92/28/61/428922861.db2.gz AKTNTMOIPKKHOK-GOSISDBHSA-N 2 1 314.433 2.703 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCOCC2)[C@@H](C)C1 ZINC000354331229 428971313 /nfs/dbraw/zinc/97/13/13/428971313.db2.gz CDQCPFAYHCQYSO-JZXOWHBKSA-N 2 1 312.498 2.528 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000349132147 428926359 /nfs/dbraw/zinc/92/63/59/428926359.db2.gz QVSYNGBFTCXZPU-QGZVFWFLSA-N 2 1 304.482 2.684 20 0 DFADMP C[N@H+](CCN)CCCCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000345537446 428926419 /nfs/dbraw/zinc/92/64/19/428926419.db2.gz KKKJKQSCOOBIFA-UHFFFAOYSA-N 2 1 304.413 2.819 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2OC)C[C@H]1C ZINC000354224609 428927125 /nfs/dbraw/zinc/92/71/25/428927125.db2.gz NZQHHFJQNROLSO-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2OC)C[C@H]1C ZINC000354224609 428927130 /nfs/dbraw/zinc/92/71/30/428927130.db2.gz NZQHHFJQNROLSO-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2OC)C[C@H]1C ZINC000354224609 428927138 /nfs/dbraw/zinc/92/71/38/428927138.db2.gz NZQHHFJQNROLSO-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2OC)C[C@H]1C ZINC000354224609 428927144 /nfs/dbraw/zinc/92/71/44/428927144.db2.gz NZQHHFJQNROLSO-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2)C[C@H]1C ZINC000354226516 428931247 /nfs/dbraw/zinc/93/12/47/428931247.db2.gz WMRKMAUXOMWADO-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC)cc2)C[C@H]1C ZINC000354226516 428931252 /nfs/dbraw/zinc/93/12/52/428931252.db2.gz WMRKMAUXOMWADO-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2)C[C@H]1C ZINC000354226516 428931258 /nfs/dbraw/zinc/93/12/58/428931258.db2.gz WMRKMAUXOMWADO-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCO[C@H](C)C3)CCCC2)CC1 ZINC000359395825 428953164 /nfs/dbraw/zinc/95/31/64/428953164.db2.gz VRKQDQHTHCFSLT-HZPDHXFCSA-N 2 1 310.482 2.567 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000420302547 428955826 /nfs/dbraw/zinc/95/58/26/428955826.db2.gz WJMDTHWZNWOPHL-UHFFFAOYSA-N 2 1 316.474 3.318 20 0 DFADMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000349296280 428956783 /nfs/dbraw/zinc/95/67/83/428956783.db2.gz LKXUQQOKAMDAKB-SFHVURJKSA-N 2 1 315.505 2.904 20 0 DFADMP CC[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000349337101 428964015 /nfs/dbraw/zinc/96/40/15/428964015.db2.gz ZBCLHXBYXOKMFS-SFHVURJKSA-N 2 1 303.494 2.750 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000423541632 428968436 /nfs/dbraw/zinc/96/84/36/428968436.db2.gz FRONWDPSSIJYCW-RMMWZPCPSA-N 3 1 313.489 2.800 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@H]1c1ccccc1 ZINC000423541632 428968441 /nfs/dbraw/zinc/96/84/41/428968441.db2.gz FRONWDPSSIJYCW-RMMWZPCPSA-N 3 1 313.489 2.800 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000423792301 429021231 /nfs/dbraw/zinc/02/12/31/429021231.db2.gz DFLHPLMFESOYRS-IXDOHACOSA-N 2 1 309.498 2.521 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000355143979 429029928 /nfs/dbraw/zinc/02/99/28/429029928.db2.gz ASVBTYADWVRJFV-IRXDYDNUSA-N 2 1 311.514 2.637 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCC3CCOCC3)CC2)C[C@H](C)O1 ZINC000432938208 428975051 /nfs/dbraw/zinc/97/50/51/428975051.db2.gz KPNLTIOORRPEBZ-CALCHBBNSA-N 2 1 324.509 2.624 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@H]4CCCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423572119 428975484 /nfs/dbraw/zinc/97/54/84/428975484.db2.gz YHADKYBIWTUJMY-MUGJNUQGSA-N 2 1 313.489 2.629 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000375792258 428976015 /nfs/dbraw/zinc/97/60/15/428976015.db2.gz PZQIHUYEQRZUKE-UFYCRDLUSA-N 2 1 324.472 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000375792258 428976021 /nfs/dbraw/zinc/97/60/21/428976021.db2.gz PZQIHUYEQRZUKE-UFYCRDLUSA-N 2 1 324.472 2.894 20 0 DFADMP C[C@@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000423574418 428976281 /nfs/dbraw/zinc/97/62/81/428976281.db2.gz PKOQMPZPVKIDSW-MRXNPFEDSA-N 2 1 313.445 2.924 20 0 DFADMP CCc1nnc(CN2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)o1 ZINC000375815719 428984928 /nfs/dbraw/zinc/98/49/28/428984928.db2.gz QINHBIOAJKILCS-CYBMUJFWSA-N 2 1 303.410 2.789 20 0 DFADMP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423644060 428988142 /nfs/dbraw/zinc/98/81/42/428988142.db2.gz ZEOQSGBDSDADNQ-ZWKOTPCHSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1-n1ccnn1 ZINC000375890355 429007868 /nfs/dbraw/zinc/00/78/68/429007868.db2.gz SCPHKPRPIBJISS-HRCADAONSA-N 2 1 311.433 2.545 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375891347 429008854 /nfs/dbraw/zinc/00/88/54/429008854.db2.gz QJVIJGFSQNNVRC-LJQANCHMSA-N 2 1 301.478 2.595 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC000354809738 429009483 /nfs/dbraw/zinc/00/94/83/429009483.db2.gz IVSZEMXJSAKLOV-ZWKOTPCHSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423444054 429089891 /nfs/dbraw/zinc/08/98/91/429089891.db2.gz AUMIQRYOOMUIGY-KANFNMMFSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423444054 429089895 /nfs/dbraw/zinc/08/98/95/429089895.db2.gz AUMIQRYOOMUIGY-KANFNMMFSA-N 2 1 301.478 2.899 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000434494909 429091613 /nfs/dbraw/zinc/09/16/13/429091613.db2.gz QLVNQJRCWZZSGP-HOTGVXAUSA-N 2 1 323.506 2.774 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000424127891 429094436 /nfs/dbraw/zinc/09/44/36/429094436.db2.gz DQJZNYZUINCYRF-UHFFFAOYSA-N 2 1 312.360 2.971 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000355412323 429044282 /nfs/dbraw/zinc/04/42/82/429044282.db2.gz PHYOTXUDMNHJAE-WNKDZCFJSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355412323 429044285 /nfs/dbraw/zinc/04/42/85/429044285.db2.gz PHYOTXUDMNHJAE-WNKDZCFJSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000355412323 429044290 /nfs/dbraw/zinc/04/42/90/429044290.db2.gz PHYOTXUDMNHJAE-WNKDZCFJSA-N 2 1 323.525 2.732 20 0 DFADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCOc1ccc2c(c1)OCO2 ZINC000452096959 429055807 /nfs/dbraw/zinc/05/58/07/429055807.db2.gz PGONSGHIDLMHLA-UHFFFAOYSA-N 2 1 320.433 2.648 20 0 DFADMP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423282366 429055936 /nfs/dbraw/zinc/05/59/36/429055936.db2.gz VVZNPTSRBAMQOV-UAFMIMERSA-N 2 1 315.505 2.860 20 0 DFADMP Brc1ccc2c(c1)[C@H]([NH2+]CC1C[NH2+]C1)CCS2 ZINC000423302808 429059418 /nfs/dbraw/zinc/05/94/18/429059418.db2.gz KQQOHFRUCYNAAJ-GFCCVEGCSA-N 2 1 313.264 2.795 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423312522 429061912 /nfs/dbraw/zinc/06/19/12/429061912.db2.gz DGXROVQCWLCLEM-LRDDRELGSA-N 2 1 304.438 2.604 20 0 DFADMP [NH3+][C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423322144 429062351 /nfs/dbraw/zinc/06/23/51/429062351.db2.gz NQPHQMURZRHOHP-VNTMZGSJSA-N 2 1 313.489 2.614 20 0 DFADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000423313123 429063472 /nfs/dbraw/zinc/06/34/72/429063472.db2.gz FCBIBLAKBGYWEP-CHWSQXEVSA-N 2 1 313.214 2.902 20 0 DFADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423328272 429065041 /nfs/dbraw/zinc/06/50/41/429065041.db2.gz LXWVVJSWZSQQQB-DOTOQJQBSA-N 2 1 317.477 2.561 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423326548 429066078 /nfs/dbraw/zinc/06/60/78/429066078.db2.gz CKLVIOUFXQVXDQ-FHWLQOOXSA-N 2 1 301.478 2.801 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423326548 429066080 /nfs/dbraw/zinc/06/60/80/429066080.db2.gz CKLVIOUFXQVXDQ-FHWLQOOXSA-N 2 1 301.478 2.801 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)[C@H]1CCOC1 ZINC000423326681 429066438 /nfs/dbraw/zinc/06/64/38/429066438.db2.gz JOIPFVMVKFYETK-DSLXNQLJSA-N 2 1 318.461 2.545 20 0 DFADMP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423337418 429067502 /nfs/dbraw/zinc/06/75/02/429067502.db2.gz VNZXTSQCRMOQMB-CEXWTWQISA-N 2 1 313.489 2.758 20 0 DFADMP Cc1ccoc1C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000434023252 429067568 /nfs/dbraw/zinc/06/75/68/429067568.db2.gz UBWCGLCKGMCLLL-MAUKXSAKSA-N 2 1 316.449 2.836 20 0 DFADMP Cc1ccoc1CN(C)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000434023252 429067571 /nfs/dbraw/zinc/06/75/71/429067571.db2.gz UBWCGLCKGMCLLL-MAUKXSAKSA-N 2 1 316.449 2.836 20 0 DFADMP Cc1ccoc1CN(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000434023252 429067573 /nfs/dbraw/zinc/06/75/73/429067573.db2.gz UBWCGLCKGMCLLL-MAUKXSAKSA-N 2 1 316.449 2.836 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(F)(F)CN)CC1 ZINC000423348644 429069747 /nfs/dbraw/zinc/06/97/47/429069747.db2.gz UTHNXNLCQIUTIT-UHFFFAOYSA-N 2 1 311.420 2.613 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(F)(F)CN)CC1 ZINC000423348644 429069751 /nfs/dbraw/zinc/06/97/51/429069751.db2.gz UTHNXNLCQIUTIT-UHFFFAOYSA-N 2 1 311.420 2.613 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CC[NH2+]C2)CC1 ZINC000423351218 429070380 /nfs/dbraw/zinc/07/03/80/429070380.db2.gz YTNKSSURVGUVPK-VIQWUECVSA-N 3 1 301.478 2.629 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423359872 429071165 /nfs/dbraw/zinc/07/11/65/429071165.db2.gz PSZGYQVKIIVEBR-HUUCEWRRSA-N 2 1 303.450 2.557 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCOCC2)cc1F ZINC000423361068 429071349 /nfs/dbraw/zinc/07/13/49/429071349.db2.gz GOGHITKGNUSSOO-ZQIUZPCESA-N 2 1 310.388 2.569 20 0 DFADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC[NH2+]2)cc1 ZINC000423372916 429073780 /nfs/dbraw/zinc/07/37/80/429073780.db2.gz HKGRECBOAMUTBV-VQTJNVASSA-N 3 1 307.441 2.873 20 0 DFADMP c1ccc([C@H]2C[C@@H](NCc3ccc4c(c3)C[NH2+]C4)CC[NH2+]2)cc1 ZINC000423372916 429073784 /nfs/dbraw/zinc/07/37/84/429073784.db2.gz HKGRECBOAMUTBV-VQTJNVASSA-N 2 1 307.441 2.873 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)CC[NH2+]1 ZINC000423368956 429074271 /nfs/dbraw/zinc/07/42/71/429074271.db2.gz BMAJFUGODONSEC-PSBWJHGTSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC[NH2+]1 ZINC000423368956 429074274 /nfs/dbraw/zinc/07/42/74/429074274.db2.gz BMAJFUGODONSEC-PSBWJHGTSA-N 2 1 301.478 2.770 20 0 DFADMP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423383295 429076065 /nfs/dbraw/zinc/07/60/65/429076065.db2.gz OZBGHTQZHNEJNQ-RSPOEFSDSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423378026 429076802 /nfs/dbraw/zinc/07/68/02/429076802.db2.gz ZAMPRCOWFBFOSL-LYRGGWFBSA-N 2 1 323.278 2.894 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000423378705 429077407 /nfs/dbraw/zinc/07/74/07/429077407.db2.gz ZNPZRJRQNSUKKY-TZMCWYRMSA-N 2 1 308.422 2.505 20 0 DFADMP CC[N@@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C(C)C ZINC000423383784 429077503 /nfs/dbraw/zinc/07/75/03/429077503.db2.gz FFNBOWHXCKJVIB-MRXNPFEDSA-N 2 1 305.466 2.559 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000423384016 429080268 /nfs/dbraw/zinc/08/02/68/429080268.db2.gz PXGKJQVEGNMKFN-CTASWTNQSA-N 2 1 306.450 2.926 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423408381 429080739 /nfs/dbraw/zinc/08/07/39/429080739.db2.gz XJZXBPNWRIMWCO-VOBQZIQPSA-N 2 1 309.457 2.912 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)CCC2 ZINC000423407124 429080854 /nfs/dbraw/zinc/08/08/54/429080854.db2.gz VJQIDXNVCUVTRS-MRVWCRGKSA-N 2 1 320.433 2.730 20 0 DFADMP C[NH2+][C@H](C)CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423404426 429082418 /nfs/dbraw/zinc/08/24/18/429082418.db2.gz YJYWYFROLCZJFW-BTHPGYMESA-N 2 1 315.505 2.875 20 0 DFADMP COC[C@@]1(C[NH2+][C@H](C)Cc2coc3ccccc23)CCC[NH2+]1 ZINC000423413234 429082920 /nfs/dbraw/zinc/08/29/20/429082920.db2.gz JVTPRLRUIAUKHM-KDOFPFPSSA-N 2 1 302.418 2.722 20 0 DFADMP CCC(CC)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435430718 429142965 /nfs/dbraw/zinc/14/29/65/429142965.db2.gz FCFZXJYJTKNLLM-MRXNPFEDSA-N 2 1 304.482 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC1(C)C ZINC000487290644 429147954 /nfs/dbraw/zinc/14/79/54/429147954.db2.gz CPQYEBDYBYWJPS-DSLXNQLJSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC1(C)C ZINC000487290644 429147956 /nfs/dbraw/zinc/14/79/56/429147956.db2.gz CPQYEBDYBYWJPS-DSLXNQLJSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H](N[C@H](C[NH3+])C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423498007 429098041 /nfs/dbraw/zinc/09/80/41/429098041.db2.gz AVXBAGJOBPCBOA-HNAYVOBHSA-N 2 1 319.493 2.795 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[N@H+]1C1CC1 ZINC000424138980 429099220 /nfs/dbraw/zinc/09/92/20/429099220.db2.gz CTWDVHAKBMWYCZ-PVAVHDDUSA-N 2 1 321.509 2.806 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423504503 429100657 /nfs/dbraw/zinc/10/06/57/429100657.db2.gz GSTOFNFBVSLKIB-WMLDXEAASA-N 2 1 303.450 2.535 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000434643769 429101438 /nfs/dbraw/zinc/10/14/38/429101438.db2.gz DCFQIVGSGASLCJ-PKOBYXMFSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000434643769 429101441 /nfs/dbraw/zinc/10/14/41/429101441.db2.gz DCFQIVGSGASLCJ-PKOBYXMFSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000434643769 429101445 /nfs/dbraw/zinc/10/14/45/429101445.db2.gz DCFQIVGSGASLCJ-PKOBYXMFSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000434643769 429101450 /nfs/dbraw/zinc/10/14/50/429101450.db2.gz DCFQIVGSGASLCJ-PKOBYXMFSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCC2)C[C@H]1c1ccccc1 ZINC000423506198 429101817 /nfs/dbraw/zinc/10/18/17/429101817.db2.gz OWXZYIGUOVBSPY-FHWLQOOXSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1C(C)(C)C1(C)C ZINC000423501862 429102100 /nfs/dbraw/zinc/10/21/00/429102100.db2.gz DFALHIOKUSIZMT-FHERZECASA-N 2 1 307.526 2.863 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424164218 429102826 /nfs/dbraw/zinc/10/28/26/429102826.db2.gz YQRPJQAAZAUNTM-NVXWUHKLSA-N 2 1 311.514 2.911 20 0 DFADMP COCCOc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000423510787 429103026 /nfs/dbraw/zinc/10/30/26/429103026.db2.gz OAXSAAQPPATJGP-RVKKMQEKSA-N 2 1 306.450 2.690 20 0 DFADMP c1[nH+]c(C2CC[NH+](CC[C@@H]3CCCO3)CC2)n2c1CCCC2 ZINC000434675431 429103687 /nfs/dbraw/zinc/10/36/87/429103687.db2.gz YUZAMKCAHBUSTF-KRWDZBQOSA-N 2 1 303.450 2.968 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423507893 429104593 /nfs/dbraw/zinc/10/45/93/429104593.db2.gz IRJXDPUQARRYNW-MNEFBYGVSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000423508260 429104681 /nfs/dbraw/zinc/10/46/81/429104681.db2.gz KOKBRWAMZHNHBN-PSBWJHGTSA-N 2 1 301.478 2.566 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cs1 ZINC000423518468 429105507 /nfs/dbraw/zinc/10/55/07/429105507.db2.gz ZQPSJSNZLVSNPW-OOHWJJMZSA-N 2 1 307.507 2.924 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515331 429105992 /nfs/dbraw/zinc/10/59/92/429105992.db2.gz VEZRBWUDNWMPGL-NXWXRZEISA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515331 429105999 /nfs/dbraw/zinc/10/59/99/429105999.db2.gz VEZRBWUDNWMPGL-NXWXRZEISA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515331 429106003 /nfs/dbraw/zinc/10/60/03/429106003.db2.gz VEZRBWUDNWMPGL-NXWXRZEISA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(-c2ccncc2)c1 ZINC000423522765 429108101 /nfs/dbraw/zinc/10/81/01/429108101.db2.gz RPQIYCZNFKKHCW-DNVCBOLYSA-N 2 1 311.429 2.778 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc12 ZINC000423524184 429108496 /nfs/dbraw/zinc/10/84/96/429108496.db2.gz SRORGAGOFCBIPR-HUUCEWRRSA-N 2 1 314.429 2.878 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000424288682 429121186 /nfs/dbraw/zinc/12/11/86/429121186.db2.gz KYLDAQYKCGXWOG-MRXNPFEDSA-N 2 1 321.509 2.630 20 0 DFADMP c1[nH+]c(C2CC[NH+](CC[C@H]3CCOC3)CC2)n2c1CCCC2 ZINC000435058537 429122042 /nfs/dbraw/zinc/12/20/42/429122042.db2.gz FEDAMQBKMHFCCC-HNNXBMFYSA-N 2 1 303.450 2.825 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130024 429125254 /nfs/dbraw/zinc/12/52/54/429125254.db2.gz PKHVJSVMOABZJL-KBPBESRZSA-N 2 1 302.422 2.974 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130024 429125256 /nfs/dbraw/zinc/12/52/56/429125256.db2.gz PKHVJSVMOABZJL-KBPBESRZSA-N 2 1 302.422 2.974 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130024 429125259 /nfs/dbraw/zinc/12/52/59/429125259.db2.gz PKHVJSVMOABZJL-KBPBESRZSA-N 2 1 302.422 2.974 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130024 429125263 /nfs/dbraw/zinc/12/52/63/429125263.db2.gz PKHVJSVMOABZJL-KBPBESRZSA-N 2 1 302.422 2.974 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000424333694 429128640 /nfs/dbraw/zinc/12/86/40/429128640.db2.gz MKUNAKPAORXJRP-ZIAGYGMSSA-N 2 1 302.340 2.987 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOC3CCC3)CC2)C[C@H](C)O1 ZINC000376525540 429128740 /nfs/dbraw/zinc/12/87/40/429128740.db2.gz KDGRPFDEMQNASK-CALCHBBNSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000424367891 429132014 /nfs/dbraw/zinc/13/20/14/429132014.db2.gz OINSZJKNADNPGO-GDAAHCPNSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cnn(Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000424371278 429132097 /nfs/dbraw/zinc/13/20/97/429132097.db2.gz DIRVPHRZYXCPDO-QGZVFWFLSA-N 2 1 324.472 2.895 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000424367989 429132188 /nfs/dbraw/zinc/13/21/88/429132188.db2.gz OINSZJKNADNPGO-NXWXRZEISA-N 2 1 301.478 2.899 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424385150 429133212 /nfs/dbraw/zinc/13/32/12/429133212.db2.gz WABPQFLLTFTBAL-AWEZNQCLSA-N 2 1 322.522 2.953 20 0 DFADMP CCC1(CC)CN(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)C(=O)O1 ZINC000494642712 429133575 /nfs/dbraw/zinc/13/35/75/429133575.db2.gz YXABBAJGCPNGPW-INIZCTEOSA-N 2 1 323.481 2.619 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)n1 ZINC000424386062 429134445 /nfs/dbraw/zinc/13/44/45/429134445.db2.gz WUICAPWSSVFZLZ-CQSZACIVSA-N 2 1 303.450 2.671 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN([C@H](C)c2nncn2C)C1 ZINC000376558576 429136163 /nfs/dbraw/zinc/13/61/63/429136163.db2.gz OZGCCRNNHALDFW-ZIAGYGMSSA-N 2 1 302.426 2.533 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000435380281 429137222 /nfs/dbraw/zinc/13/72/22/429137222.db2.gz NBOIKDUIHIOXHN-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000435380281 429137229 /nfs/dbraw/zinc/13/72/29/429137229.db2.gz NBOIKDUIHIOXHN-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@@H](C[NH3+])C3)cc2)cs1 ZINC000435396569 429139327 /nfs/dbraw/zinc/13/93/27/429139327.db2.gz XABNZOAGOMYXNJ-HNNXBMFYSA-N 2 1 317.458 2.811 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424446938 429140934 /nfs/dbraw/zinc/14/09/34/429140934.db2.gz SZSHJASRFOCSFT-UKRRQHHQSA-N 2 1 318.465 2.696 20 0 DFADMP CCC[C@@H](C)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431425 429141528 /nfs/dbraw/zinc/14/15/28/429141528.db2.gz IMBHZUHOFABPCM-CVEARBPZSA-N 2 1 304.482 2.800 20 0 DFADMP COc1cc2c(c(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)c1)O[C@@H](C)C2 ZINC000435447520 429141945 /nfs/dbraw/zinc/14/19/45/429141945.db2.gz PWHMZGOMNWLFRG-XJKSGUPXSA-N 2 1 304.434 2.593 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)c1)O[C@@H](C)C2 ZINC000435447520 429141948 /nfs/dbraw/zinc/14/19/48/429141948.db2.gz PWHMZGOMNWLFRG-XJKSGUPXSA-N 2 1 304.434 2.593 20 0 DFADMP Cc1ncsc1C[N@H+](CCc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000435734663 429160762 /nfs/dbraw/zinc/16/07/62/429160762.db2.gz GZANQOXTURUJLS-INIZCTEOSA-N 2 1 316.474 2.501 20 0 DFADMP Cc1ncsc1C[N@@H+](CCc1cccnc1)C[C@H]1CC[NH2+]C1 ZINC000435734663 429160765 /nfs/dbraw/zinc/16/07/65/429160765.db2.gz GZANQOXTURUJLS-INIZCTEOSA-N 2 1 316.474 2.501 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494888654 429161662 /nfs/dbraw/zinc/16/16/62/429161662.db2.gz IKOVSDLSCBZWNK-QGTPRVQTSA-N 2 1 315.461 2.666 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[C@H]3C)cc2)CC1 ZINC000494890037 429161917 /nfs/dbraw/zinc/16/19/17/429161917.db2.gz LWPLMJIOOLQLAZ-MBOZVWFJSA-N 2 1 315.505 2.958 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000282187632 275048906 /nfs/dbraw/zinc/04/89/06/275048906.db2.gz NDXIQGRINPVUAJ-IPMKNSEASA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000282187632 275048909 /nfs/dbraw/zinc/04/89/09/275048909.db2.gz NDXIQGRINPVUAJ-IPMKNSEASA-N 2 1 314.473 2.792 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310006359 275053093 /nfs/dbraw/zinc/05/30/93/275053093.db2.gz HWTJIVUCXINUBC-YSTOQKLRSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310006359 275053094 /nfs/dbraw/zinc/05/30/94/275053094.db2.gz HWTJIVUCXINUBC-YSTOQKLRSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310006359 275053095 /nfs/dbraw/zinc/05/30/95/275053095.db2.gz HWTJIVUCXINUBC-YSTOQKLRSA-N 2 1 314.473 2.744 20 0 DFADMP CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c1C ZINC000495024654 429172880 /nfs/dbraw/zinc/17/28/80/429172880.db2.gz KMPRRJSKNLFPAI-HNNXBMFYSA-N 2 1 314.433 2.910 20 0 DFADMP CCn1c(C)cc(C(=O)CN2CCC[C@H](c3[nH]cc[nH+]3)C2)c1C ZINC000495024654 429172884 /nfs/dbraw/zinc/17/28/84/429172884.db2.gz KMPRRJSKNLFPAI-HNNXBMFYSA-N 2 1 314.433 2.910 20 0 DFADMP CC(C)[C@](C)(O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364352797 429189569 /nfs/dbraw/zinc/18/95/69/429189569.db2.gz LKLNPYSADPGZKV-GOSISDBHSA-N 2 1 305.466 2.637 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000436293914 429195369 /nfs/dbraw/zinc/19/53/69/429195369.db2.gz WGIIBMPFCYHOJZ-LSDHHAIUSA-N 2 1 302.447 2.855 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000436293914 429195373 /nfs/dbraw/zinc/19/53/73/429195373.db2.gz WGIIBMPFCYHOJZ-LSDHHAIUSA-N 2 1 302.447 2.855 20 0 DFADMP CC[NH+](CC)CC1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000436244187 429191663 /nfs/dbraw/zinc/19/16/63/429191663.db2.gz CEWOIUFTRSNSAL-BBWFWOEESA-N 2 1 323.525 2.828 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436272460 429193429 /nfs/dbraw/zinc/19/34/29/429193429.db2.gz HLIXAMRWNJCKGD-ZDUSSCGKSA-N 2 1 304.463 2.960 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000436292602 429194038 /nfs/dbraw/zinc/19/40/38/429194038.db2.gz SVHISAYUCKUEST-GFCCVEGCSA-N 2 1 302.447 2.712 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388600 429283157 /nfs/dbraw/zinc/28/31/57/429283157.db2.gz WHNGYDTYERZABQ-AAEUAGOBSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388600 429283160 /nfs/dbraw/zinc/28/31/60/429283160.db2.gz WHNGYDTYERZABQ-AAEUAGOBSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388600 429283162 /nfs/dbraw/zinc/28/31/62/429283162.db2.gz WHNGYDTYERZABQ-AAEUAGOBSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388600 429283164 /nfs/dbraw/zinc/28/31/64/429283164.db2.gz WHNGYDTYERZABQ-AAEUAGOBSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769161 429235866 /nfs/dbraw/zinc/23/58/66/429235866.db2.gz MYJUBQXQMJLUFP-NWDGAFQWSA-N 2 1 318.339 2.633 20 0 DFADMP COC1(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000364762753 429263756 /nfs/dbraw/zinc/26/37/56/429263756.db2.gz BXKWHDUYGNSBJI-GOEBONIOSA-N 2 1 324.490 2.526 20 0 DFADMP CN(C)c1ncc(C[N@H+]2CCC[C@H]2c2ccc(F)cc2)n1C ZINC000425320757 429264273 /nfs/dbraw/zinc/26/42/73/429264273.db2.gz DDEYBTDVDYKVAK-INIZCTEOSA-N 2 1 302.397 2.962 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848544 429267432 /nfs/dbraw/zinc/26/74/32/429267432.db2.gz ALWZTTYUDIOLHL-UKRRQHHQSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@]1(CNc2ncnc3[nH]ccc32)CCC[N@H+]1Cc1ccccc1 ZINC000489949378 429268865 /nfs/dbraw/zinc/26/88/65/429268865.db2.gz UGYDCBDLEJPQBK-LJQANCHMSA-N 2 1 321.428 3.425 20 0 DFADMP CCc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000364928762 429269452 /nfs/dbraw/zinc/26/94/52/429269452.db2.gz GIZCYTXVAWGMJG-XLIONFOSSA-N 2 1 315.505 2.707 20 0 DFADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[C@H]1O ZINC000364986972 429271122 /nfs/dbraw/zinc/27/11/22/429271122.db2.gz LLQYXADKPPCFLL-ZWKOTPCHSA-N 2 1 303.450 2.533 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542744 429319327 /nfs/dbraw/zinc/31/93/27/429319327.db2.gz OSLHHKGHTSGQKN-ZWKOTPCHSA-N 2 1 302.462 2.915 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542744 429319331 /nfs/dbraw/zinc/31/93/31/429319331.db2.gz OSLHHKGHTSGQKN-ZWKOTPCHSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542744 429319335 /nfs/dbraw/zinc/31/93/35/429319335.db2.gz OSLHHKGHTSGQKN-ZWKOTPCHSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542744 429319339 /nfs/dbraw/zinc/31/93/39/429319339.db2.gz OSLHHKGHTSGQKN-ZWKOTPCHSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000449093550 429328708 /nfs/dbraw/zinc/32/87/08/429328708.db2.gz OWLWWQPKGMIQPJ-INIZCTEOSA-N 2 1 312.461 2.605 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365535753 429337184 /nfs/dbraw/zinc/33/71/84/429337184.db2.gz IFCQRCPFSWOYTA-GUDVDZBRSA-N 2 1 316.493 2.778 20 0 DFADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365535753 429337186 /nfs/dbraw/zinc/33/71/86/429337186.db2.gz IFCQRCPFSWOYTA-GUDVDZBRSA-N 2 1 316.493 2.778 20 0 DFADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365535753 429337189 /nfs/dbraw/zinc/33/71/89/429337189.db2.gz IFCQRCPFSWOYTA-GUDVDZBRSA-N 2 1 316.493 2.778 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000365558449 429339578 /nfs/dbraw/zinc/33/95/78/429339578.db2.gz SHOLWWZOJOTDSE-HNNXBMFYSA-N 2 1 315.417 2.643 20 0 DFADMP CSCC1CCC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CC1 ZINC000449146805 429344210 /nfs/dbraw/zinc/34/42/10/429344210.db2.gz DONHLXLFHIOJOE-OFLPRAFFSA-N 2 1 314.539 2.735 20 0 DFADMP CO[C@H](C[N@@H+](C)[C@@H]1CCC[NH+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425791 429294371 /nfs/dbraw/zinc/29/43/71/429294371.db2.gz UWFRSDZTODFGGS-GUDVDZBRSA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@H](C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425791 429294377 /nfs/dbraw/zinc/29/43/77/429294377.db2.gz UWFRSDZTODFGGS-GUDVDZBRSA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@H](C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425791 429294381 /nfs/dbraw/zinc/29/43/81/429294381.db2.gz UWFRSDZTODFGGS-GUDVDZBRSA-N 2 1 324.509 2.623 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495940008 429295853 /nfs/dbraw/zinc/29/58/53/429295853.db2.gz JEMWQNVDPWIAIY-LSDHHAIUSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495940008 429295858 /nfs/dbraw/zinc/29/58/58/429295858.db2.gz JEMWQNVDPWIAIY-LSDHHAIUSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000495940008 429295862 /nfs/dbraw/zinc/29/58/62/429295862.db2.gz JEMWQNVDPWIAIY-LSDHHAIUSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000495940008 429295866 /nfs/dbraw/zinc/29/58/66/429295866.db2.gz JEMWQNVDPWIAIY-LSDHHAIUSA-N 2 1 313.486 2.658 20 0 DFADMP COC(=O)[C@H](CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000425484874 429307255 /nfs/dbraw/zinc/30/72/55/429307255.db2.gz SWCBWSLUMGDOJO-QZTJIDSGSA-N 2 1 318.461 2.749 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425490627 429308637 /nfs/dbraw/zinc/30/86/37/429308637.db2.gz ZJSIFJVBDABEQF-OAHLLOKOSA-N 2 1 320.481 2.557 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000425490627 429308638 /nfs/dbraw/zinc/30/86/38/429308638.db2.gz ZJSIFJVBDABEQF-OAHLLOKOSA-N 2 1 320.481 2.557 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000365407765 429313238 /nfs/dbraw/zinc/31/32/38/429313238.db2.gz SOKIQIQGKVANFH-QGZVFWFLSA-N 2 1 323.525 2.687 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000449341150 429393217 /nfs/dbraw/zinc/39/32/17/429393217.db2.gz YAKOUGUNWOQWHL-OAHLLOKOSA-N 2 1 305.466 2.531 20 0 DFADMP COC[C@@](C)(O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449383834 429401360 /nfs/dbraw/zinc/40/13/60/429401360.db2.gz KJYOQVMBXVZVQY-KSSFIOAISA-N 2 1 317.433 2.619 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2=CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000449402331 429407200 /nfs/dbraw/zinc/40/72/00/429407200.db2.gz LEIREDLBDSCWJF-VQIMIIECSA-N 2 1 300.446 2.976 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457118437 429407571 /nfs/dbraw/zinc/40/75/71/429407571.db2.gz MWXORQKRXUAKBA-ROUUACIJSA-N 2 1 317.477 2.621 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457118437 429407575 /nfs/dbraw/zinc/40/75/75/429407575.db2.gz MWXORQKRXUAKBA-ROUUACIJSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457118437 429407580 /nfs/dbraw/zinc/40/75/80/429407580.db2.gz MWXORQKRXUAKBA-ROUUACIJSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457118437 429407582 /nfs/dbraw/zinc/40/75/82/429407582.db2.gz MWXORQKRXUAKBA-ROUUACIJSA-N 2 1 317.477 2.621 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)CC[N@@H+]1C ZINC000449173935 429348797 /nfs/dbraw/zinc/34/87/97/429348797.db2.gz ONOPJAQRHFDENQ-HOCLYGCPSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)CC[N@H+]1C ZINC000449173935 429348801 /nfs/dbraw/zinc/34/88/01/429348801.db2.gz ONOPJAQRHFDENQ-HOCLYGCPSA-N 2 1 304.434 2.810 20 0 DFADMP c1c(C[NH2+]Cc2cccc3cccnc32)onc1C1CC[NH2+]CC1 ZINC000425898799 429351456 /nfs/dbraw/zinc/35/14/56/429351456.db2.gz JQICTYVXWVSQRB-UHFFFAOYSA-N 2 1 322.412 2.980 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C[NH+](C)C ZINC000425951314 429353597 /nfs/dbraw/zinc/35/35/97/429353597.db2.gz MMDBPBMAOJCWFS-CABCVRRESA-N 2 1 303.450 2.662 20 0 DFADMP CN(C)c1cc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc[nH+]1 ZINC000426704625 429409988 /nfs/dbraw/zinc/40/99/88/429409988.db2.gz RTBSSUNOYONPDL-UHFFFAOYSA-N 2 1 304.438 2.598 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000514738829 429369537 /nfs/dbraw/zinc/36/95/37/429369537.db2.gz LAQVJVLLTARRMD-ROUUACIJSA-N 2 1 319.493 2.767 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CC[NH+](C)C1 ZINC000449265852 429371151 /nfs/dbraw/zinc/37/11/51/429371151.db2.gz RWSVERLOLVBULG-MRXNPFEDSA-N 2 1 304.434 2.622 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CC[NH+](C)C1 ZINC000449265852 429371154 /nfs/dbraw/zinc/37/11/54/429371154.db2.gz RWSVERLOLVBULG-MRXNPFEDSA-N 2 1 304.434 2.622 20 0 DFADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CC[N@H+](C)C1 ZINC000449265852 429371157 /nfs/dbraw/zinc/37/11/57/429371157.db2.gz RWSVERLOLVBULG-MRXNPFEDSA-N 2 1 304.434 2.622 20 0 DFADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@@H]1CC[N@@H+](C)C1 ZINC000449265852 429371162 /nfs/dbraw/zinc/37/11/62/429371162.db2.gz RWSVERLOLVBULG-MRXNPFEDSA-N 2 1 304.434 2.622 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365799966 429376210 /nfs/dbraw/zinc/37/62/10/429376210.db2.gz OCYOBYISJDPUOX-LJQANCHMSA-N 2 1 313.445 2.608 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](CO)(c2ccccc2)C1 ZINC000365799966 429376213 /nfs/dbraw/zinc/37/62/13/429376213.db2.gz OCYOBYISJDPUOX-LJQANCHMSA-N 2 1 313.445 2.608 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc3ccoc32)CC1(C)C ZINC000449299360 429379823 /nfs/dbraw/zinc/37/98/23/429379823.db2.gz ADWOPAZHLKDTML-UHFFFAOYSA-N 2 1 301.434 2.548 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000426294276 429381537 /nfs/dbraw/zinc/38/15/37/429381537.db2.gz SWUSWCOQIYRRKQ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000426294276 429381540 /nfs/dbraw/zinc/38/15/40/429381540.db2.gz SWUSWCOQIYRRKQ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000426294276 429381544 /nfs/dbraw/zinc/38/15/44/429381544.db2.gz SWUSWCOQIYRRKQ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP COCCSCCC[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000365834774 429382667 /nfs/dbraw/zinc/38/26/67/429382667.db2.gz CKPNYCFWVYTORH-UHFFFAOYSA-N 2 1 300.512 2.753 20 0 DFADMP COCC(C)(C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000426367580 429385298 /nfs/dbraw/zinc/38/52/98/429385298.db2.gz XUMZARKZOPIEDS-KRWDZBQOSA-N 2 1 305.466 2.508 20 0 DFADMP COCC(C)(C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000426367580 429385300 /nfs/dbraw/zinc/38/53/00/429385300.db2.gz XUMZARKZOPIEDS-KRWDZBQOSA-N 2 1 305.466 2.508 20 0 DFADMP COCC(C)(C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000426367580 429385305 /nfs/dbraw/zinc/38/53/05/429385305.db2.gz XUMZARKZOPIEDS-KRWDZBQOSA-N 2 1 305.466 2.508 20 0 DFADMP COCC(C)(C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000426367580 429385308 /nfs/dbraw/zinc/38/53/08/429385308.db2.gz XUMZARKZOPIEDS-KRWDZBQOSA-N 2 1 305.466 2.508 20 0 DFADMP CC(C)(C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000457050452 429386546 /nfs/dbraw/zinc/38/65/46/429386546.db2.gz LPVFSVSLCILCKZ-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C)c1F ZINC000449328296 429389292 /nfs/dbraw/zinc/38/92/92/429389292.db2.gz JBGDUONLLBTKGT-UHFFFAOYSA-N 2 1 321.484 2.984 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366259233 429441901 /nfs/dbraw/zinc/44/19/01/429441901.db2.gz NCZXLYZLPXPVDN-KBRIMQKVSA-N 2 1 319.424 2.759 20 0 DFADMP C[NH+]1CCC(CC(=O)NC[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000366254897 429442853 /nfs/dbraw/zinc/44/28/53/429442853.db2.gz IYQWMHXIFOQKED-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCCN(C)c3ccccc32)CC1 ZINC000449654560 429470643 /nfs/dbraw/zinc/47/06/43/429470643.db2.gz WFLJMILZHLIMGV-SFHVURJKSA-N 2 1 317.477 2.658 20 0 DFADMP CCC[N@@H+](C)CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000427487361 429452592 /nfs/dbraw/zinc/45/25/92/429452592.db2.gz OTUHYWOXYJOEAS-UHFFFAOYSA-N 2 1 303.450 2.871 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCCC[C@@H]3O)sc2C1 ZINC000449576919 429453428 /nfs/dbraw/zinc/45/34/28/429453428.db2.gz BWHUGXMENLRHLL-HIFRSBDPSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCCC[C@@H]3O)sc2C1 ZINC000449576919 429453434 /nfs/dbraw/zinc/45/34/34/429453434.db2.gz BWHUGXMENLRHLL-HIFRSBDPSA-N 2 1 323.506 2.550 20 0 DFADMP Cc1cc(NC(=O)NCC[NH+]2CCCCCC2)cn2cc[nH+]c12 ZINC000519325338 429454548 /nfs/dbraw/zinc/45/45/48/429454548.db2.gz DRSBRGKHUBREFU-UHFFFAOYSA-N 2 1 315.421 2.640 20 0 DFADMP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)COC1 ZINC000449601386 429459715 /nfs/dbraw/zinc/45/97/15/429459715.db2.gz RJJIUQGBXYKEEO-GUDVDZBRSA-N 2 1 314.473 2.913 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccnn2C)c1 ZINC000366488412 429461988 /nfs/dbraw/zinc/46/19/88/429461988.db2.gz IUTJELNKJVMSFV-FQEVSTJZSA-N 2 1 324.472 2.923 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000518360213 429420120 /nfs/dbraw/zinc/42/01/20/429420120.db2.gz UMLHXZYCWKXLQC-INIZCTEOSA-N 2 1 300.450 2.970 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1 ZINC000457213041 429426445 /nfs/dbraw/zinc/42/64/45/429426445.db2.gz UFNRDHAZBRMTQF-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC000427129369 429432329 /nfs/dbraw/zinc/43/23/29/429432329.db2.gz WPAXQNXWWFDWQA-YLJYHZDGSA-N 2 1 323.440 2.844 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC000427129369 429432332 /nfs/dbraw/zinc/43/23/32/429432332.db2.gz WPAXQNXWWFDWQA-YLJYHZDGSA-N 2 1 323.440 2.844 20 0 DFADMP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000366218141 429434319 /nfs/dbraw/zinc/43/43/19/429434319.db2.gz KHSIFUJZICZUDK-OLZOCXBDSA-N 2 1 311.495 2.677 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000427878590 429475397 /nfs/dbraw/zinc/47/53/97/429475397.db2.gz WBJRFYHKAPIDDO-OAHLLOKOSA-N 2 1 305.466 2.598 20 0 DFADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)C1CC(C(C)(C)C)C1 ZINC000457553196 429486012 /nfs/dbraw/zinc/48/60/12/429486012.db2.gz IJNHRITVTYQILY-UHFFFAOYSA-N 2 1 323.525 2.543 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000519761589 429486941 /nfs/dbraw/zinc/48/69/41/429486941.db2.gz CUKYXZIYZSVYFR-CQSZACIVSA-N 3 1 316.493 2.906 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449712467 429487032 /nfs/dbraw/zinc/48/70/32/429487032.db2.gz RXEBLJQTJBOLRJ-NXWXRZEISA-N 2 1 302.462 2.648 20 0 DFADMP CCCc1csc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000519811215 429489822 /nfs/dbraw/zinc/48/98/22/429489822.db2.gz PLBFYTRPYGHYEP-HOCLYGCPSA-N 2 1 323.506 2.814 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449735219 429491766 /nfs/dbraw/zinc/49/17/66/429491766.db2.gz GHNNQRUDDRJQEW-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449735219 429491769 /nfs/dbraw/zinc/49/17/69/429491769.db2.gz GHNNQRUDDRJQEW-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CCN(Cc3cccs3)CC2)CC1 ZINC000366698549 429497081 /nfs/dbraw/zinc/49/70/81/429497081.db2.gz SMRYKGLKHJJEKZ-UHFFFAOYSA-N 2 1 305.491 2.564 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCN1CCc2ccccc21 ZINC000428211715 429500943 /nfs/dbraw/zinc/50/09/43/429500943.db2.gz XXWYHVYGDPEJOU-GOSISDBHSA-N 2 1 310.445 2.719 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCN1CCc2ccccc21 ZINC000428211715 429500947 /nfs/dbraw/zinc/50/09/47/429500947.db2.gz XXWYHVYGDPEJOU-GOSISDBHSA-N 2 1 310.445 2.719 20 0 DFADMP CC1(C)CCC[N@@H+]1CCNC1CC[NH+](Cc2ccccn2)CC1 ZINC000449780406 429506976 /nfs/dbraw/zinc/50/69/76/429506976.db2.gz FYIURQLDUMSNRY-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](Cc2ccccn2)CC1 ZINC000449780406 429506980 /nfs/dbraw/zinc/50/69/80/429506980.db2.gz FYIURQLDUMSNRY-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000366749612 429507514 /nfs/dbraw/zinc/50/75/14/429507514.db2.gz ZSJDCMTXFLDJQE-GDBMZVCRSA-N 2 1 311.429 2.601 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784134 429510892 /nfs/dbraw/zinc/51/08/92/429510892.db2.gz VITHIDHNOHPOBB-INIZCTEOSA-N 2 1 317.477 2.892 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784134 429510895 /nfs/dbraw/zinc/51/08/95/429510895.db2.gz VITHIDHNOHPOBB-INIZCTEOSA-N 2 1 317.477 2.892 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000428499786 429530935 /nfs/dbraw/zinc/53/09/35/429530935.db2.gz IYUUABVJAIEPIT-IRXDYDNUSA-N 2 1 311.514 2.734 20 0 DFADMP Brc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000366799853 429515711 /nfs/dbraw/zinc/51/57/11/429515711.db2.gz URCPIGJVJKBIGW-CYBMUJFWSA-N 2 1 320.234 2.998 20 0 DFADMP CCC(CC)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428420045 429519686 /nfs/dbraw/zinc/51/96/86/429519686.db2.gz CTKHAUMEVSBKQX-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CCC(CC)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428420045 429519692 /nfs/dbraw/zinc/51/96/92/429519692.db2.gz CTKHAUMEVSBKQX-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CCC(CC)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428420045 429519698 /nfs/dbraw/zinc/51/96/98/429519698.db2.gz CTKHAUMEVSBKQX-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CCC(CC)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428420045 429519701 /nfs/dbraw/zinc/51/97/01/429519701.db2.gz CTKHAUMEVSBKQX-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000429024188 429572914 /nfs/dbraw/zinc/57/29/14/429572914.db2.gz WSTYBVQHHNFATJ-SOLBZPMBSA-N 2 1 304.482 2.634 20 0 DFADMP Fc1ccccc1C[N@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000366878784 429533722 /nfs/dbraw/zinc/53/37/22/429533722.db2.gz FFNDTJLIBKKEMT-UHFFFAOYSA-N 2 1 319.468 2.819 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000521266325 429545782 /nfs/dbraw/zinc/54/57/82/429545782.db2.gz BJFVMFCJENZEOP-LJQANCHMSA-N 2 1 312.461 2.559 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000521266325 429545787 /nfs/dbraw/zinc/54/57/87/429545787.db2.gz BJFVMFCJENZEOP-LJQANCHMSA-N 2 1 312.461 2.559 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450456407 429631547 /nfs/dbraw/zinc/63/15/47/429631547.db2.gz SRKAJSGGDRGTBA-WOJBJXKFSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000450456407 429631551 /nfs/dbraw/zinc/63/15/51/429631551.db2.gz SRKAJSGGDRGTBA-WOJBJXKFSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000450456407 429631555 /nfs/dbraw/zinc/63/15/55/429631555.db2.gz SRKAJSGGDRGTBA-WOJBJXKFSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000450469807 429635431 /nfs/dbraw/zinc/63/54/31/429635431.db2.gz HSASYHPFGWDVQQ-RTBURBONSA-N 2 1 313.445 2.914 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000450469807 429635434 /nfs/dbraw/zinc/63/54/34/429635434.db2.gz HSASYHPFGWDVQQ-RTBURBONSA-N 2 1 313.445 2.914 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOC[C@H]2CCCO2)C1 ZINC000524991391 429643225 /nfs/dbraw/zinc/64/32/25/429643225.db2.gz WDYBNPMQMHNFEK-GUDVDZBRSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOC[C@H]2CCCO2)C1 ZINC000524991391 429643228 /nfs/dbraw/zinc/64/32/28/429643228.db2.gz WDYBNPMQMHNFEK-GUDVDZBRSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000524991391 429643231 /nfs/dbraw/zinc/64/32/31/429643231.db2.gz WDYBNPMQMHNFEK-GUDVDZBRSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000524991391 429643234 /nfs/dbraw/zinc/64/32/34/429643234.db2.gz WDYBNPMQMHNFEK-GUDVDZBRSA-N 2 1 324.509 2.768 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557935 429647939 /nfs/dbraw/zinc/64/79/39/429647939.db2.gz DHUNHPYLHMIWRR-PKOBYXMFSA-N 2 1 303.494 2.781 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)CC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557935 429647943 /nfs/dbraw/zinc/64/79/43/429647943.db2.gz DHUNHPYLHMIWRR-PKOBYXMFSA-N 2 1 303.494 2.781 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)CC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557935 429647946 /nfs/dbraw/zinc/64/79/46/429647946.db2.gz DHUNHPYLHMIWRR-PKOBYXMFSA-N 2 1 303.494 2.781 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561262 429648952 /nfs/dbraw/zinc/64/89/52/429648952.db2.gz GXKOTHYEMZXSQC-NBMJBFSESA-N 2 1 304.478 2.813 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561262 429648955 /nfs/dbraw/zinc/64/89/55/429648955.db2.gz GXKOTHYEMZXSQC-NBMJBFSESA-N 2 1 304.478 2.813 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561262 429648959 /nfs/dbraw/zinc/64/89/59/429648959.db2.gz GXKOTHYEMZXSQC-NBMJBFSESA-N 2 1 304.478 2.813 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429275745 429595131 /nfs/dbraw/zinc/59/51/31/429595131.db2.gz LJMJGPWXVYJTMX-FUHWJXTLSA-N 2 1 315.461 2.528 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000367225638 429600104 /nfs/dbraw/zinc/60/01/04/429600104.db2.gz UKRIIAWWGXQXRK-MOPGFXCFSA-N 2 1 304.478 2.816 20 0 DFADMP OC[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1c1ccc(F)cc1 ZINC000429407609 429608139 /nfs/dbraw/zinc/60/81/39/429608139.db2.gz JXFMRGPSIDMENA-FCGDIQPGSA-N 2 1 318.436 2.508 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367275287 429611477 /nfs/dbraw/zinc/61/14/77/429611477.db2.gz SYWSVOBBMOMGOM-WMZOPIPTSA-N 2 1 310.482 2.868 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367275287 429611481 /nfs/dbraw/zinc/61/14/81/429611481.db2.gz SYWSVOBBMOMGOM-WMZOPIPTSA-N 2 1 310.482 2.868 20 0 DFADMP COC1(C[C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCC1 ZINC000429527257 429613022 /nfs/dbraw/zinc/61/30/22/429613022.db2.gz LIVJPOVJWUSGKB-MRXNPFEDSA-N 2 1 310.482 2.569 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450599952 429658554 /nfs/dbraw/zinc/65/85/54/429658554.db2.gz MDMRZRBKBHHFAL-MAUKXSAKSA-N 2 1 301.434 2.678 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450599952 429658556 /nfs/dbraw/zinc/65/85/56/429658556.db2.gz MDMRZRBKBHHFAL-MAUKXSAKSA-N 2 1 301.434 2.678 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367539337 429667562 /nfs/dbraw/zinc/66/75/62/429667562.db2.gz YRUUNJBICRTDNK-QBIMZIAESA-N 2 1 304.482 2.507 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000093133009 276200814 /nfs/dbraw/zinc/20/08/14/276200814.db2.gz NKQKHRXGWYRWHT-SFHVURJKSA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000174774937 276214238 /nfs/dbraw/zinc/21/42/38/276214238.db2.gz AEOXOELXRVYFLG-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000174774937 276214239 /nfs/dbraw/zinc/21/42/39/276214239.db2.gz AEOXOELXRVYFLG-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000174774937 276214240 /nfs/dbraw/zinc/21/42/40/276214240.db2.gz AEOXOELXRVYFLG-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000174774937 276214241 /nfs/dbraw/zinc/21/42/41/276214241.db2.gz AEOXOELXRVYFLG-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)[C@@H](C)C1 ZINC000247047387 276216668 /nfs/dbraw/zinc/21/66/68/276216668.db2.gz OOBVYWZZHLLPNP-SUMWQHHRSA-N 2 1 322.424 2.555 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000245429369 276224724 /nfs/dbraw/zinc/22/47/24/276224724.db2.gz NBWNCCSMPUGYJC-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000245429369 276224726 /nfs/dbraw/zinc/22/47/26/276224726.db2.gz NBWNCCSMPUGYJC-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000245429369 276224727 /nfs/dbraw/zinc/22/47/27/276224727.db2.gz NBWNCCSMPUGYJC-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP CCN(Cc1nc(C(C)(C)N)no1)Cc1cccc(Cl)c1 ZINC000430544406 429689375 /nfs/dbraw/zinc/68/93/75/429689375.db2.gz GGOZCVIJXKSYNV-UHFFFAOYSA-N 2 1 308.813 2.939 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000133106455 276229887 /nfs/dbraw/zinc/22/98/87/276229887.db2.gz CRSITJUPAZEJBV-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000133106455 276229888 /nfs/dbraw/zinc/22/98/88/276229888.db2.gz CRSITJUPAZEJBV-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(SC)cc2)CC1 ZINC000430544895 429690328 /nfs/dbraw/zinc/69/03/28/429690328.db2.gz PCOAEGJMYMFECN-UHFFFAOYSA-N 2 1 321.490 2.669 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000430564303 429691197 /nfs/dbraw/zinc/69/11/97/429691197.db2.gz LKSBCHASIGTPJG-KCQAQPDRSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000430564303 429691201 /nfs/dbraw/zinc/69/12/01/429691201.db2.gz LKSBCHASIGTPJG-KCQAQPDRSA-N 2 1 323.868 2.576 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367639285 429691404 /nfs/dbraw/zinc/69/14/04/429691404.db2.gz UTFFWAKWNHYVLE-BZSNNMDCSA-N 2 1 314.477 2.644 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000353929413 276273272 /nfs/dbraw/zinc/27/32/72/276273272.db2.gz MECBSLUZHDPIBG-BNQMIIOLSA-N 2 1 308.466 2.715 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271254541 276334534 /nfs/dbraw/zinc/33/45/34/276334534.db2.gz GGNGRCUBQFQSNX-UXHICEINSA-N 2 1 315.505 2.925 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000359608995 276335022 /nfs/dbraw/zinc/33/50/22/276335022.db2.gz UFQPCZVQBIQAPQ-APWZRJJASA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)cc1 ZINC000359608995 276335023 /nfs/dbraw/zinc/33/50/23/276335023.db2.gz UFQPCZVQBIQAPQ-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571651 429694100 /nfs/dbraw/zinc/69/41/00/429694100.db2.gz OOTBJVGHSHRBFY-HUUCEWRRSA-N 2 1 319.493 2.731 20 0 DFADMP CCc1ccc([C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571651 429694102 /nfs/dbraw/zinc/69/41/02/429694102.db2.gz OOTBJVGHSHRBFY-HUUCEWRRSA-N 2 1 319.493 2.731 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1NC(C)=O ZINC000289490080 276343786 /nfs/dbraw/zinc/34/37/86/276343786.db2.gz ROIBPFZXQADKPW-UHFFFAOYSA-N 2 1 303.450 2.953 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1NC(C)=O ZINC000289490080 276343788 /nfs/dbraw/zinc/34/37/88/276343788.db2.gz ROIBPFZXQADKPW-UHFFFAOYSA-N 2 1 303.450 2.953 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000430573760 429695062 /nfs/dbraw/zinc/69/50/62/429695062.db2.gz HXKYFFLNRHURID-NVXWUHKLSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000430573760 429695065 /nfs/dbraw/zinc/69/50/65/429695065.db2.gz HXKYFFLNRHURID-NVXWUHKLSA-N 2 1 309.498 2.522 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000430580949 429695295 /nfs/dbraw/zinc/69/52/95/429695295.db2.gz GRKVUATURROSLW-OAHLLOKOSA-N 2 1 313.392 2.599 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578345 429696138 /nfs/dbraw/zinc/69/61/38/429696138.db2.gz YLUXZRDCLJAKBE-STQMWFEESA-N 2 1 309.841 2.728 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000430579255 429696628 /nfs/dbraw/zinc/69/66/28/429696628.db2.gz BYLWROGXFYKUKY-GRDNDAEWSA-N 2 1 323.456 2.697 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000430579255 429696631 /nfs/dbraw/zinc/69/66/31/429696631.db2.gz BYLWROGXFYKUKY-GRDNDAEWSA-N 2 1 323.456 2.697 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430579270 429696935 /nfs/dbraw/zinc/69/69/35/429696935.db2.gz YJPYPELGLQXHNX-HNNXBMFYSA-N 2 1 309.429 2.768 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430614515 429701251 /nfs/dbraw/zinc/70/12/51/429701251.db2.gz YXIXZGNOQPTERA-QGZVFWFLSA-N 2 1 311.429 2.831 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430642127 429706338 /nfs/dbraw/zinc/70/63/38/429706338.db2.gz UWICKAHYCRQULT-LBPRGKRZSA-N 2 1 302.340 2.755 20 0 DFADMP CC(C)c1cc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462777264 429706379 /nfs/dbraw/zinc/70/63/79/429706379.db2.gz LRFHEYKJRDLGAV-GJZGRUSLSA-N 2 1 319.497 3.198 20 0 DFADMP CC(C)c1cc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462777264 429706384 /nfs/dbraw/zinc/70/63/84/429706384.db2.gz LRFHEYKJRDLGAV-GJZGRUSLSA-N 2 1 319.497 3.198 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367723124 429706444 /nfs/dbraw/zinc/70/64/44/429706444.db2.gz RUWKICCKZIHMSX-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367723124 429706448 /nfs/dbraw/zinc/70/64/48/429706448.db2.gz RUWKICCKZIHMSX-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP CC(C)c1cc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462777263 429706978 /nfs/dbraw/zinc/70/69/78/429706978.db2.gz LRFHEYKJRDLGAV-CABCVRRESA-N 2 1 319.497 3.198 20 0 DFADMP CC(C)c1cc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462777263 429706983 /nfs/dbraw/zinc/70/69/83/429706983.db2.gz LRFHEYKJRDLGAV-CABCVRRESA-N 2 1 319.497 3.198 20 0 DFADMP CC(C)c1cc(NCCC[N@@H+]2CCCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000462931707 429707347 /nfs/dbraw/zinc/70/73/47/429707347.db2.gz NUAIUYDPBCBJJO-OAHLLOKOSA-N 2 1 319.497 3.342 20 0 DFADMP CC(C)c1cc(NCCC[N@H+]2CCCC[C@H]2C)nc(N(C)C)[nH+]1 ZINC000462931707 429707349 /nfs/dbraw/zinc/70/73/49/429707349.db2.gz NUAIUYDPBCBJJO-OAHLLOKOSA-N 2 1 319.497 3.342 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367727469 429707598 /nfs/dbraw/zinc/70/75/98/429707598.db2.gz OZJJRLYNONVGKA-GVDBMIGSSA-N 2 1 303.450 2.833 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367727469 429707601 /nfs/dbraw/zinc/70/76/01/429707601.db2.gz OZJJRLYNONVGKA-GVDBMIGSSA-N 2 1 303.450 2.833 20 0 DFADMP CC(C)c1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)nc(N(C)C)[nH+]1 ZINC000481984961 429722507 /nfs/dbraw/zinc/72/25/07/429722507.db2.gz OJHAAVVNVCQRPR-HOCLYGCPSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)nc(N(C)C)[nH+]1 ZINC000481984961 429722512 /nfs/dbraw/zinc/72/25/12/429722512.db2.gz OJHAAVVNVCQRPR-HOCLYGCPSA-N 2 1 317.481 2.587 20 0 DFADMP C[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC[C@@H]1[NH3+] ZINC000430917745 429722476 /nfs/dbraw/zinc/72/24/76/429722476.db2.gz FGCBEKRVDCIBAV-FZMZJTMJSA-N 2 1 320.824 2.602 20 0 DFADMP C[C@@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC[C@@H]1[NH3+] ZINC000430917746 429722817 /nfs/dbraw/zinc/72/28/17/429722817.db2.gz FGCBEKRVDCIBAV-RISCZKNCSA-N 2 1 320.824 2.602 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430951127 429727566 /nfs/dbraw/zinc/72/75/66/429727566.db2.gz UGFFVOSALOWKDG-QGZVFWFLSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430951127 429727572 /nfs/dbraw/zinc/72/75/72/429727572.db2.gz UGFFVOSALOWKDG-QGZVFWFLSA-N 2 1 311.429 2.702 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430959972 429729921 /nfs/dbraw/zinc/72/99/21/429729921.db2.gz FYZVVUDNSNHNMO-KGLIPLIRSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430959974 429730129 /nfs/dbraw/zinc/73/01/29/429730129.db2.gz FYZVVUDNSNHNMO-ZIAGYGMSSA-N 2 1 321.490 2.796 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872065 429733150 /nfs/dbraw/zinc/73/31/50/429733150.db2.gz WPAUZWDOOGOGAU-MSOLQXFVSA-N 2 1 306.425 2.593 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872065 429733155 /nfs/dbraw/zinc/73/31/55/429733155.db2.gz WPAUZWDOOGOGAU-MSOLQXFVSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872065 429733158 /nfs/dbraw/zinc/73/31/58/429733158.db2.gz WPAUZWDOOGOGAU-MSOLQXFVSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872065 429733161 /nfs/dbraw/zinc/73/31/61/429733161.db2.gz WPAUZWDOOGOGAU-MSOLQXFVSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCC(N[C@@H]2C[C@H](C3CC3)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367893977 429738087 /nfs/dbraw/zinc/73/80/87/429738087.db2.gz AOKUDSYQTSXWOR-WOJBJXKFSA-N 2 1 313.489 2.723 20 0 DFADMP CCC[N@@H+](CCOCCOc1ccccc1)C1CC[NH2+]CC1 ZINC000431079207 429739429 /nfs/dbraw/zinc/73/94/29/429739429.db2.gz XXUZDSQCWGRWTO-UHFFFAOYSA-N 2 1 306.450 2.546 20 0 DFADMP CC[C@H](Cc1ccccc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076968 429739677 /nfs/dbraw/zinc/73/96/77/429739677.db2.gz ABOPUGBXRRLSQD-CQSZACIVSA-N 2 1 302.422 2.717 20 0 DFADMP CCC[N@@H+](CCC(=O)Nc1cccc(F)c1C)C1CC[NH2+]CC1 ZINC000431070840 429740193 /nfs/dbraw/zinc/74/01/93/429740193.db2.gz ZLVVIJOSDBEACM-UHFFFAOYSA-N 2 1 321.440 2.927 20 0 DFADMP C[C@@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103123 429744630 /nfs/dbraw/zinc/74/46/30/429744630.db2.gz VWESXOTUTLTKON-TZMCWYRMSA-N 2 1 300.406 2.641 20 0 DFADMP CC(C)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000367930578 429745246 /nfs/dbraw/zinc/74/52/46/429745246.db2.gz JDKBPJCEVOBHIK-NZSAHSFTSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000367930578 429745250 /nfs/dbraw/zinc/74/52/50/429745250.db2.gz JDKBPJCEVOBHIK-NZSAHSFTSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000367930578 429745252 /nfs/dbraw/zinc/74/52/52/429745252.db2.gz JDKBPJCEVOBHIK-NZSAHSFTSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000367930578 429745256 /nfs/dbraw/zinc/74/52/56/429745256.db2.gz JDKBPJCEVOBHIK-NZSAHSFTSA-N 2 1 304.478 2.846 20 0 DFADMP Cc1cnc(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)s1 ZINC000432071200 429798613 /nfs/dbraw/zinc/79/86/13/429798613.db2.gz GPRMVOKTAHEUTC-CYBMUJFWSA-N 2 1 302.447 2.974 20 0 DFADMP Cc1cnc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)s1 ZINC000432071200 429798617 /nfs/dbraw/zinc/79/86/17/429798617.db2.gz GPRMVOKTAHEUTC-CYBMUJFWSA-N 2 1 302.447 2.974 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C\C2CCCC2)CC1 ZINC000493671514 429806443 /nfs/dbraw/zinc/80/64/43/429806443.db2.gz AYPANSNIWSHXPQ-SREVYHEPSA-N 2 1 314.433 2.518 20 0 DFADMP Cc1n[nH]cc1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367958555 429752306 /nfs/dbraw/zinc/75/23/06/429752306.db2.gz DPNPLVBLPOKZSY-IEBWSBKVSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367958555 429752310 /nfs/dbraw/zinc/75/23/10/429752310.db2.gz DPNPLVBLPOKZSY-IEBWSBKVSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367958555 429752314 /nfs/dbraw/zinc/75/23/14/429752314.db2.gz DPNPLVBLPOKZSY-IEBWSBKVSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1cnn(C)c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367955263 429752942 /nfs/dbraw/zinc/75/29/42/429752942.db2.gz BBIWMINIIHEBMT-OALUTQOASA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367955263 429752944 /nfs/dbraw/zinc/75/29/44/429752944.db2.gz BBIWMINIIHEBMT-OALUTQOASA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367955263 429752948 /nfs/dbraw/zinc/75/29/48/429752948.db2.gz BBIWMINIIHEBMT-OALUTQOASA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367955263 429752951 /nfs/dbraw/zinc/75/29/51/429752951.db2.gz BBIWMINIIHEBMT-OALUTQOASA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367955263 429752953 /nfs/dbraw/zinc/75/29/53/429752953.db2.gz BBIWMINIIHEBMT-OALUTQOASA-N 2 1 324.472 2.682 20 0 DFADMP CCC[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000451047727 429755275 /nfs/dbraw/zinc/75/52/75/429755275.db2.gz IUTUADUBMJRWGJ-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000451047727 429755279 /nfs/dbraw/zinc/75/52/79/429755279.db2.gz IUTUADUBMJRWGJ-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000451047727 429755283 /nfs/dbraw/zinc/75/52/83/429755283.db2.gz IUTUADUBMJRWGJ-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC1(C)C ZINC000486972870 429756723 /nfs/dbraw/zinc/75/67/23/429756723.db2.gz TYAQPTRHIKCHLA-VQIMIIECSA-N 2 1 315.505 2.958 20 0 DFADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1F ZINC000368051186 429774718 /nfs/dbraw/zinc/77/47/18/429774718.db2.gz KRDVQTMDHZOJLH-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000431659796 429775099 /nfs/dbraw/zinc/77/50/99/429775099.db2.gz KVJZEPGZAUPMDP-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431725963 429778782 /nfs/dbraw/zinc/77/87/82/429778782.db2.gz OUTMNCFPPTXFQH-KURKYZTESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431718458 429779405 /nfs/dbraw/zinc/77/94/05/429779405.db2.gz DATJMILZPSBFJN-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431718458 429779408 /nfs/dbraw/zinc/77/94/08/429779408.db2.gz DATJMILZPSBFJN-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431718458 429779411 /nfs/dbraw/zinc/77/94/11/429779411.db2.gz DATJMILZPSBFJN-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692313 429780345 /nfs/dbraw/zinc/78/03/45/429780345.db2.gz SBFFKQFNKAFFPU-DPZWOIPNSA-N 2 1 314.473 2.777 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431746889 429780517 /nfs/dbraw/zinc/78/05/17/429780517.db2.gz XEDBDYDUJJTULL-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431746889 429780521 /nfs/dbraw/zinc/78/05/21/429780521.db2.gz XEDBDYDUJJTULL-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431746889 429780525 /nfs/dbraw/zinc/78/05/25/429780525.db2.gz XEDBDYDUJJTULL-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072732 429781325 /nfs/dbraw/zinc/78/13/25/429781325.db2.gz PZLKGTPZXTUKFV-MOPGFXCFSA-N 2 1 302.462 2.844 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072732 429781329 /nfs/dbraw/zinc/78/13/29/429781329.db2.gz PZLKGTPZXTUKFV-MOPGFXCFSA-N 2 1 302.462 2.844 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072732 429781332 /nfs/dbraw/zinc/78/13/32/429781332.db2.gz PZLKGTPZXTUKFV-MOPGFXCFSA-N 2 1 302.462 2.844 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368074715 429781799 /nfs/dbraw/zinc/78/17/99/429781799.db2.gz VZEQXQRIVBOHNL-LJQANCHMSA-N 2 1 313.445 2.955 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368074715 429781803 /nfs/dbraw/zinc/78/18/03/429781803.db2.gz VZEQXQRIVBOHNL-LJQANCHMSA-N 2 1 313.445 2.955 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431784581 429782657 /nfs/dbraw/zinc/78/26/57/429782657.db2.gz LZHLOWDQPIGTDA-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431784581 429782659 /nfs/dbraw/zinc/78/26/59/429782659.db2.gz LZHLOWDQPIGTDA-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431784581 429782662 /nfs/dbraw/zinc/78/26/62/429782662.db2.gz LZHLOWDQPIGTDA-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1N(C)C ZINC000368103663 429788533 /nfs/dbraw/zinc/78/85/33/429788533.db2.gz XTPSBEXVCQHDCK-AAEUAGOBSA-N 2 1 302.397 2.823 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368105073 429788630 /nfs/dbraw/zinc/78/86/30/429788630.db2.gz NUCMNLDHZVJRCB-ZWNOBZJWSA-N 2 1 301.365 2.692 20 0 DFADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431906937 429789465 /nfs/dbraw/zinc/78/94/65/429789465.db2.gz KEKQEKPYGZJAPP-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1OC ZINC000368103975 429789432 /nfs/dbraw/zinc/78/94/32/429789432.db2.gz ZRCABEXVZQCQKU-STQMWFEESA-N 2 1 315.417 2.943 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cnn(Cc2ccccc2)c1 ZINC000368105357 429789802 /nfs/dbraw/zinc/78/98/02/429789802.db2.gz QULWGBSTVNNBIH-RHSMWYFYSA-N 2 1 321.428 2.863 20 0 DFADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431906936 429790312 /nfs/dbraw/zinc/79/03/12/429790312.db2.gz KEKQEKPYGZJAPP-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccc(F)cc2)CCCO1 ZINC000432357739 429817365 /nfs/dbraw/zinc/81/73/65/429817365.db2.gz NFMBDBBTQQMJHG-SVERHTFXSA-N 2 1 306.425 2.929 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432354037 429817425 /nfs/dbraw/zinc/81/74/25/429817425.db2.gz SEILFCWEODBHBB-JKSUJKDBSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432354037 429817429 /nfs/dbraw/zinc/81/74/29/429817429.db2.gz SEILFCWEODBHBB-JKSUJKDBSA-N 2 1 308.441 2.847 20 0 DFADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000368281340 429824403 /nfs/dbraw/zinc/82/44/03/429824403.db2.gz BJARFKWBDHQZMR-XLIONFOSSA-N 3 1 324.472 2.930 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528027400 429838351 /nfs/dbraw/zinc/83/83/51/429838351.db2.gz SWKDCIZXVIDWIB-GBESFXJTSA-N 2 1 300.446 2.523 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528024955 429839046 /nfs/dbraw/zinc/83/90/46/429839046.db2.gz FHZXYLLGRRPMSX-ZCNNSNEGSA-N 2 1 314.473 2.913 20 0 DFADMP CC/C=C/CC[N@H+]1CCC[C@@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451528663 429842976 /nfs/dbraw/zinc/84/29/76/429842976.db2.gz LSPJMWJDWJRSAK-VZSQWMKGSA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C/CC[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528663 429842981 /nfs/dbraw/zinc/84/29/81/429842981.db2.gz LSPJMWJDWJRSAK-VZSQWMKGSA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C/CC[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528663 429842983 /nfs/dbraw/zinc/84/29/83/429842983.db2.gz LSPJMWJDWJRSAK-VZSQWMKGSA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C/CC[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528663 429842985 /nfs/dbraw/zinc/84/29/85/429842985.db2.gz LSPJMWJDWJRSAK-VZSQWMKGSA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C/CC[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528663 429842988 /nfs/dbraw/zinc/84/29/88/429842988.db2.gz LSPJMWJDWJRSAK-VZSQWMKGSA-N 2 1 321.509 2.609 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368448439 429851004 /nfs/dbraw/zinc/85/10/04/429851004.db2.gz AKWLBHHCWQRWRL-YVEFUNNKSA-N 2 1 315.392 2.913 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000494140576 429857244 /nfs/dbraw/zinc/85/72/44/429857244.db2.gz DMPDRKGTFSVMOP-UHFFFAOYSA-N 2 1 324.469 2.674 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](C)CC(C)(C)CNC(=O)OC(C)(C)C ZINC000494140576 429857249 /nfs/dbraw/zinc/85/72/49/429857249.db2.gz DMPDRKGTFSVMOP-UHFFFAOYSA-N 2 1 324.469 2.674 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000368530627 429862871 /nfs/dbraw/zinc/86/28/71/429862871.db2.gz OHERSOXMCNXQFC-APWZRJJASA-N 2 1 312.461 2.983 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000368530627 429862873 /nfs/dbraw/zinc/86/28/73/429862873.db2.gz OHERSOXMCNXQFC-APWZRJJASA-N 2 1 312.461 2.983 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451626854 429863322 /nfs/dbraw/zinc/86/33/22/429863322.db2.gz LVEWMRDDNXCYBJ-SJORKVTESA-N 2 1 303.450 2.863 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451626854 429863323 /nfs/dbraw/zinc/86/33/23/429863323.db2.gz LVEWMRDDNXCYBJ-SJORKVTESA-N 2 1 303.450 2.863 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000451626854 429863325 /nfs/dbraw/zinc/86/33/25/429863325.db2.gz LVEWMRDDNXCYBJ-SJORKVTESA-N 2 1 303.450 2.863 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC12CC2 ZINC000527843147 429808726 /nfs/dbraw/zinc/80/87/26/429808726.db2.gz AUEBVOIKWLMLIN-YJBOKZPZSA-N 2 1 300.446 2.797 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@]2(C1)c1ccccc1NC2=O ZINC000368791809 429894049 /nfs/dbraw/zinc/89/40/49/429894049.db2.gz SKLHSFQPLFJGOW-IBGZPJMESA-N 2 1 324.428 2.568 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000368791809 429894050 /nfs/dbraw/zinc/89/40/50/429894050.db2.gz SKLHSFQPLFJGOW-IBGZPJMESA-N 2 1 324.428 2.568 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@]2(C1)C(=O)Nc1ccccc12 ZINC000368791809 429894052 /nfs/dbraw/zinc/89/40/52/429894052.db2.gz SKLHSFQPLFJGOW-IBGZPJMESA-N 2 1 324.428 2.568 20 0 DFADMP Brc1ccccc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000368846349 429897830 /nfs/dbraw/zinc/89/78/30/429897830.db2.gz QCXHSINVQZZHQZ-GFCCVEGCSA-N 2 1 306.207 2.750 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc(Cl)c1OC ZINC000368847403 429898679 /nfs/dbraw/zinc/89/86/79/429898679.db2.gz YTLHAJSJUSKBFM-LBPRGKRZSA-N 2 1 321.808 2.658 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@H](Oc2cccnc2C)C1 ZINC000368988805 429905930 /nfs/dbraw/zinc/90/59/30/429905930.db2.gz BUKYZNXPEQHHFI-KRWDZBQOSA-N 2 1 314.433 2.828 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2cccnc2C)C1 ZINC000368988805 429905932 /nfs/dbraw/zinc/90/59/32/429905932.db2.gz BUKYZNXPEQHHFI-KRWDZBQOSA-N 2 1 314.433 2.828 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762097 429913914 /nfs/dbraw/zinc/91/39/14/429913914.db2.gz NQQRFADMNNFKQU-INIZCTEOSA-N 2 1 312.461 2.774 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762097 429913915 /nfs/dbraw/zinc/91/39/15/429913915.db2.gz NQQRFADMNNFKQU-INIZCTEOSA-N 2 1 312.461 2.774 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@]3(CC[C@@H](C)C3)C2)CC1 ZINC000369122241 429914290 /nfs/dbraw/zinc/91/42/90/429914290.db2.gz OFDQODWBCMBDIP-RTBURBONSA-N 2 1 307.526 2.915 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000369142735 429915618 /nfs/dbraw/zinc/91/56/18/429915618.db2.gz JTSXFOSFBHPODP-XHSDSOJGSA-N 2 1 302.466 2.520 20 0 DFADMP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000369136845 429915711 /nfs/dbraw/zinc/91/57/11/429915711.db2.gz AKWYOSLOONSXAT-QGZVFWFLSA-N 2 1 311.429 2.707 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000369350808 429927372 /nfs/dbraw/zinc/92/73/72/429927372.db2.gz XADOPOBNPCEMME-CYBMUJFWSA-N 2 1 305.809 2.897 20 0 DFADMP C[C@H](C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000494467956 429875762 /nfs/dbraw/zinc/87/57/62/429875762.db2.gz GYHQOSIUILRGTA-RBSFLKMASA-N 2 1 313.486 2.610 20 0 DFADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573476589 429956442 /nfs/dbraw/zinc/95/64/42/429956442.db2.gz UTVZSIKZFDZQKC-PMACEKPBSA-N 2 1 318.505 2.938 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000573561286 429961596 /nfs/dbraw/zinc/96/15/96/429961596.db2.gz CGRDVPMXHNRPRI-WMZOPIPTSA-N 2 1 317.477 2.561 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@H]3CCCOC3)CC23CC3)cc1 ZINC000573563578 429962076 /nfs/dbraw/zinc/96/20/76/429962076.db2.gz FBVRVPDKQDJTCB-MSOLQXFVSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@H]3CCCOC3)CC23CC3)cc1 ZINC000573563578 429962080 /nfs/dbraw/zinc/96/20/80/429962080.db2.gz FBVRVPDKQDJTCB-MSOLQXFVSA-N 2 1 300.446 2.952 20 0 DFADMP C[N@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748377 429968062 /nfs/dbraw/zinc/96/80/62/429968062.db2.gz ZNGVYLTVVOLSKD-RBUKOAKNSA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748377 429968065 /nfs/dbraw/zinc/96/80/65/429968065.db2.gz ZNGVYLTVVOLSKD-RBUKOAKNSA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748377 429968069 /nfs/dbraw/zinc/96/80/69/429968069.db2.gz ZNGVYLTVVOLSKD-RBUKOAKNSA-N 2 1 315.505 2.923 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756634 429971583 /nfs/dbraw/zinc/97/15/83/429971583.db2.gz ZSIXKTBWICXEKA-GOSISDBHSA-N 2 1 302.462 2.662 20 0 DFADMP Cc1ccc(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc1Cl ZINC000558425214 429971682 /nfs/dbraw/zinc/97/16/82/429971682.db2.gz UKGUNHDOBDKEHT-UHFFFAOYSA-N 2 1 311.901 2.964 20 0 DFADMP CCCCc1noc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639759983 429972797 /nfs/dbraw/zinc/97/27/97/429972797.db2.gz PGFJABPJGUORNI-AWEZNQCLSA-N 2 1 306.454 2.891 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639759773 429973468 /nfs/dbraw/zinc/97/34/68/429973468.db2.gz JGQITZZWZVWTIC-UHFFFAOYSA-N 2 1 318.461 2.882 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000573741389 429977855 /nfs/dbraw/zinc/97/78/55/429977855.db2.gz IBUMLCHQJKIWEG-DNDYEEKYSA-N 2 1 319.415 2.651 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639792231 429982600 /nfs/dbraw/zinc/98/26/00/429982600.db2.gz PPGXGIRDTAXPCL-MRXNPFEDSA-N 2 1 307.401 2.624 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639792231 429982603 /nfs/dbraw/zinc/98/26/03/429982603.db2.gz PPGXGIRDTAXPCL-MRXNPFEDSA-N 2 1 307.401 2.624 20 0 DFADMP Cn1cncc1CC[N@H+]1CCCC[C@@H]1c1nnc(C2CCC2)o1 ZINC000639645457 429930835 /nfs/dbraw/zinc/93/08/35/429930835.db2.gz DSWHKIKGYHPNOY-OAHLLOKOSA-N 2 1 315.421 2.840 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682225 429944103 /nfs/dbraw/zinc/94/41/03/429944103.db2.gz NVOLBQPDOADUOR-INIZCTEOSA-N 2 1 324.428 2.621 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682225 429944106 /nfs/dbraw/zinc/94/41/06/429944106.db2.gz NVOLBQPDOADUOR-INIZCTEOSA-N 2 1 324.428 2.621 20 0 DFADMP c1cc(N2CCC[N@@H+](Cc3noc4c3CCCC4)CC2)cc[nH+]1 ZINC000639683335 429945954 /nfs/dbraw/zinc/94/59/54/429945954.db2.gz XJKVNZZKYSWWSH-UHFFFAOYSA-N 2 1 312.417 2.661 20 0 DFADMP c1cc(N2CCC[N@H+](Cc3noc4c3CCCC4)CC2)cc[nH+]1 ZINC000639683335 429945956 /nfs/dbraw/zinc/94/59/56/429945956.db2.gz XJKVNZZKYSWWSH-UHFFFAOYSA-N 2 1 312.417 2.661 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccncc1Cl ZINC000529566716 430031346 /nfs/dbraw/zinc/03/13/46/430031346.db2.gz FRRBWHHNZXJANS-MRXNPFEDSA-N 2 1 324.900 2.583 20 0 DFADMP CC[NH2+]CCC[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000574391173 430037613 /nfs/dbraw/zinc/03/76/13/430037613.db2.gz KDYJBSNLCGMHAN-CYBMUJFWSA-N 2 1 304.413 2.970 20 0 DFADMP CC[C@H]1C[NH+](CCCC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000559702156 430012371 /nfs/dbraw/zinc/01/23/71/430012371.db2.gz JDAMZFMUUTYQGY-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP O[C@@]1(C[N@@H+]2CCCC(F)(F)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000639889674 430013670 /nfs/dbraw/zinc/01/36/70/430013670.db2.gz HDSCZRPNUTZTGF-QGZVFWFLSA-N 2 1 324.415 2.745 20 0 DFADMP O[C@@]1(C[N@H+]2CCCC(F)(F)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000639889674 430013673 /nfs/dbraw/zinc/01/36/73/430013673.db2.gz HDSCZRPNUTZTGF-QGZVFWFLSA-N 2 1 324.415 2.745 20 0 DFADMP O[C@@]1(C[NH+]2CCCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639889674 430013678 /nfs/dbraw/zinc/01/36/78/430013678.db2.gz HDSCZRPNUTZTGF-QGZVFWFLSA-N 2 1 324.415 2.745 20 0 DFADMP O[C@@]1(C[NH+]2CCCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639889674 430013681 /nfs/dbraw/zinc/01/36/81/430013681.db2.gz HDSCZRPNUTZTGF-QGZVFWFLSA-N 2 1 324.415 2.745 20 0 DFADMP CCc1cccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000574163654 430016807 /nfs/dbraw/zinc/01/68/07/430016807.db2.gz GYDNQYZOKUDNQI-UHFFFAOYSA-N 2 1 303.494 2.612 20 0 DFADMP CCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CCC1 ZINC000574170980 430018563 /nfs/dbraw/zinc/01/85/63/430018563.db2.gz PQLBRGNAHMALCB-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529548237 430025150 /nfs/dbraw/zinc/02/51/50/430025150.db2.gz JKUYIWXFAHVGOQ-WMLDXEAASA-N 2 1 324.415 2.647 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529548237 430025157 /nfs/dbraw/zinc/02/51/57/430025157.db2.gz JKUYIWXFAHVGOQ-WMLDXEAASA-N 2 1 324.415 2.647 20 0 DFADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)c1)O[C@H](C)C2 ZINC000634732195 430093212 /nfs/dbraw/zinc/09/32/12/430093212.db2.gz AKQMICUYQSJDFM-CZUORRHYSA-N 2 1 318.461 2.886 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000634732532 430094237 /nfs/dbraw/zinc/09/42/37/430094237.db2.gz IOBQFRZFCANMGX-LBPRGKRZSA-N 2 1 312.255 2.712 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179715 430100566 /nfs/dbraw/zinc/10/05/66/430100566.db2.gz VLNJZUHBDGQIES-SJORKVTESA-N 2 1 306.425 2.648 20 0 DFADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000530222620 430106168 /nfs/dbraw/zinc/10/61/68/430106168.db2.gz SKXRENUBBFLYAK-ZWKOTPCHSA-N 2 1 311.429 2.716 20 0 DFADMP Fc1c(Br)ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1F ZINC000530221999 430106205 /nfs/dbraw/zinc/10/62/05/430106205.db2.gz QHXNCZKPJWXIJS-SNVBAGLBSA-N 2 1 319.193 2.959 20 0 DFADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000530225256 430106253 /nfs/dbraw/zinc/10/62/53/430106253.db2.gz UYQZJJTWWQRHKM-AWEZNQCLSA-N 2 1 302.466 2.522 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000530222616 430106437 /nfs/dbraw/zinc/10/64/37/430106437.db2.gz SKXRENUBBFLYAK-MSOLQXFVSA-N 2 1 311.429 2.716 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000640017077 430055736 /nfs/dbraw/zinc/05/57/36/430055736.db2.gz BQOZZJMCAYXDAS-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000560583452 430056897 /nfs/dbraw/zinc/05/68/97/430056897.db2.gz YHWMLOPSDHAVDZ-BBWFWOEESA-N 2 1 304.482 2.910 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000560583452 430056901 /nfs/dbraw/zinc/05/69/01/430056901.db2.gz YHWMLOPSDHAVDZ-BBWFWOEESA-N 2 1 304.482 2.910 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000561060904 430073460 /nfs/dbraw/zinc/07/34/60/430073460.db2.gz SOTZYVAWLZUGSQ-OKILXGFUSA-N 2 1 316.449 2.674 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000634686658 430077963 /nfs/dbraw/zinc/07/79/63/430077963.db2.gz PJAGNGUEJDRJTR-BBWFWOEESA-N 2 1 312.498 2.528 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708790 430085483 /nfs/dbraw/zinc/08/54/83/430085483.db2.gz ZFTKYANTQUIKDD-SJORKVTESA-N 2 1 324.415 2.791 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708790 430085485 /nfs/dbraw/zinc/08/54/85/430085485.db2.gz ZFTKYANTQUIKDD-SJORKVTESA-N 2 1 324.415 2.791 20 0 DFADMP O[C@@]1(C[NH2+]CCC2CC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634716710 430087590 /nfs/dbraw/zinc/08/75/90/430087590.db2.gz YPMKTBRWVXTQBS-QGZVFWFLSA-N 2 1 324.415 2.648 20 0 DFADMP O[C@@]1(C[NH2+]CCC2CC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716710 430087594 /nfs/dbraw/zinc/08/75/94/430087594.db2.gz YPMKTBRWVXTQBS-QGZVFWFLSA-N 2 1 324.415 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cncc(Br)c1 ZINC000580785866 430154395 /nfs/dbraw/zinc/15/43/95/430154395.db2.gz QOTTYDKIEDNXAL-WDEREUQCSA-N 2 1 300.244 2.692 20 0 DFADMP CC[C@H]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000562640186 430158635 /nfs/dbraw/zinc/15/86/35/430158635.db2.gz MIJPVOSRBAYFNR-LSDHHAIUSA-N 2 1 316.449 2.598 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCC2CCCCC2)C[C@H]1C ZINC000580983124 430168418 /nfs/dbraw/zinc/16/84/18/430168418.db2.gz UNJUANFRISNYLI-SJLPKXTDSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634959112 430175929 /nfs/dbraw/zinc/17/59/29/430175929.db2.gz IFBZUOTVKCOISY-LLVKDONJSA-N 2 1 302.353 2.898 20 0 DFADMP COc1cc(F)cc(OC)c1CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930738 430176710 /nfs/dbraw/zinc/17/67/10/430176710.db2.gz TUNVJWIUUSQUPL-ZDUSSCGKSA-N 2 1 310.413 2.617 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3[nH]ccc3c2)CCCO1 ZINC000580657849 430142137 /nfs/dbraw/zinc/14/21/37/430142137.db2.gz AHBXGJFEVHWITC-HNNXBMFYSA-N 2 1 301.434 2.758 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H](C)N3CC(C)C3)c2C1 ZINC000563378347 430183072 /nfs/dbraw/zinc/18/30/72/430183072.db2.gz ZBPLKOJODLAHOT-AWEZNQCLSA-N 2 1 301.434 2.691 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H](C)N3CC(C)C3)c2C1 ZINC000563378347 430183076 /nfs/dbraw/zinc/18/30/76/430183076.db2.gz ZBPLKOJODLAHOT-AWEZNQCLSA-N 2 1 301.434 2.691 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)o1 ZINC000368755696 277037830 /nfs/dbraw/zinc/03/78/30/277037830.db2.gz CYWAAKVSIXAMDS-RDJZCZTQSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000368755696 277037834 /nfs/dbraw/zinc/03/78/34/277037834.db2.gz CYWAAKVSIXAMDS-RDJZCZTQSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)o1 ZINC000368755696 277037836 /nfs/dbraw/zinc/03/78/36/277037836.db2.gz CYWAAKVSIXAMDS-RDJZCZTQSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)o1 ZINC000368755696 277037838 /nfs/dbraw/zinc/03/78/38/277037838.db2.gz CYWAAKVSIXAMDS-RDJZCZTQSA-N 2 1 319.449 2.537 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](c2nccn2C)C2CC2)CC1 ZINC000637957267 430185495 /nfs/dbraw/zinc/18/54/95/430185495.db2.gz FNHOJUMSCKJYHN-QGZVFWFLSA-N 2 1 304.482 2.923 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684200 277046295 /nfs/dbraw/zinc/04/62/95/277046295.db2.gz AMMLDWQWFGDERW-UONOGXRCSA-N 2 1 308.388 2.640 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684200 277046296 /nfs/dbraw/zinc/04/62/96/277046296.db2.gz AMMLDWQWFGDERW-UONOGXRCSA-N 2 1 308.388 2.640 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684200 277046297 /nfs/dbraw/zinc/04/62/97/277046297.db2.gz AMMLDWQWFGDERW-UONOGXRCSA-N 2 1 308.388 2.640 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684200 277046298 /nfs/dbraw/zinc/04/62/98/277046298.db2.gz AMMLDWQWFGDERW-UONOGXRCSA-N 2 1 308.388 2.640 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200392 430188351 /nfs/dbraw/zinc/18/83/51/430188351.db2.gz GNOZKCFEXFEFPG-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200392 430188357 /nfs/dbraw/zinc/18/83/57/430188357.db2.gz GNOZKCFEXFEFPG-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200392 430188359 /nfs/dbraw/zinc/18/83/59/430188359.db2.gz GNOZKCFEXFEFPG-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(Cl)c1OC ZINC000634999220 430190212 /nfs/dbraw/zinc/19/02/12/430190212.db2.gz RIMCCVDUKFHTLS-DGCLKSJQSA-N 2 1 312.841 2.774 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc(Cl)c1OC ZINC000634999220 430190217 /nfs/dbraw/zinc/19/02/17/430190217.db2.gz RIMCCVDUKFHTLS-DGCLKSJQSA-N 2 1 312.841 2.774 20 0 DFADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532626 430191348 /nfs/dbraw/zinc/19/13/48/430191348.db2.gz UNXNFMGMLJTVAF-HDICACEKSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000635000838 430192009 /nfs/dbraw/zinc/19/20/09/430192009.db2.gz WUPNAIBRWNWWOL-YOEHRIQHSA-N 2 1 305.470 2.590 20 0 DFADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1cccc(F)c1 ZINC000640532561 430192148 /nfs/dbraw/zinc/19/21/48/430192148.db2.gz TVJQSOZOEDMZNZ-UHFFFAOYSA-N 2 1 321.440 2.962 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1cccc(F)c1 ZINC000640532561 430192154 /nfs/dbraw/zinc/19/21/54/430192154.db2.gz TVJQSOZOEDMZNZ-UHFFFAOYSA-N 2 1 321.440 2.962 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000640534693 430193431 /nfs/dbraw/zinc/19/34/31/430193431.db2.gz RVYDLZOKOFBISQ-OKZBNKHCSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000635005161 430194192 /nfs/dbraw/zinc/19/41/92/430194192.db2.gz RXNQACCTIKFPDT-BWPNAZKDSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000635005161 430194197 /nfs/dbraw/zinc/19/41/97/430194197.db2.gz RXNQACCTIKFPDT-BWPNAZKDSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000635005161 430194202 /nfs/dbraw/zinc/19/42/02/430194202.db2.gz RXNQACCTIKFPDT-BWPNAZKDSA-N 3 1 315.505 2.732 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010788 430196478 /nfs/dbraw/zinc/19/64/78/430196478.db2.gz BJLNDSAKKLPQPG-NEWSRXKRSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010788 430196480 /nfs/dbraw/zinc/19/64/80/430196480.db2.gz BJLNDSAKKLPQPG-NEWSRXKRSA-N 2 1 301.478 2.547 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc2c1CCOC2 ZINC000635013972 430197207 /nfs/dbraw/zinc/19/72/07/430197207.db2.gz XHRFNSORUHJOAA-MGPUTAFESA-N 2 1 310.441 2.807 20 0 DFADMP CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)[C@H]1CCCC[NH2+]1 ZINC000635014386 430197640 /nfs/dbraw/zinc/19/76/40/430197640.db2.gz RLGDMYGKGBRXBL-HYVNUMGLSA-N 2 1 310.869 2.926 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1)C1CC1 ZINC000581372420 430203116 /nfs/dbraw/zinc/20/31/16/430203116.db2.gz GPZYLZIKSZACAK-UHFFFAOYSA-N 2 1 315.461 2.543 20 0 DFADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000542222988 430203407 /nfs/dbraw/zinc/20/34/07/430203407.db2.gz WAOVMJFLPBKVDN-OAHLLOKOSA-N 2 1 324.428 2.576 20 0 DFADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542167427 430204255 /nfs/dbraw/zinc/20/42/55/430204255.db2.gz ONECYMUCPGKFFO-NUJGCVRESA-N 2 1 321.534 2.637 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3C[C@@H](O)C3)C2)s1 ZINC000581432294 430206978 /nfs/dbraw/zinc/20/69/78/430206978.db2.gz QPHCKJDTZSNVIB-OAGGEKHMSA-N 2 1 308.491 2.581 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3C[C@@H](O)C3)C2)s1 ZINC000581432294 430206980 /nfs/dbraw/zinc/20/69/80/430206980.db2.gz QPHCKJDTZSNVIB-OAGGEKHMSA-N 2 1 308.491 2.581 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3C[C@@H](O)C3)C2)s1 ZINC000581432294 430206983 /nfs/dbraw/zinc/20/69/83/430206983.db2.gz QPHCKJDTZSNVIB-OAGGEKHMSA-N 2 1 308.491 2.581 20 0 DFADMP COCCc1ncc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)s1 ZINC000638056782 430221169 /nfs/dbraw/zinc/22/11/69/430221169.db2.gz LMOXYLVZRHLGAM-CQSZACIVSA-N 2 1 320.462 2.674 20 0 DFADMP COCCc1ncc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)s1 ZINC000638056782 430221173 /nfs/dbraw/zinc/22/11/73/430221173.db2.gz LMOXYLVZRHLGAM-CQSZACIVSA-N 2 1 320.462 2.674 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000635122884 430213706 /nfs/dbraw/zinc/21/37/06/430213706.db2.gz SCQDZKXBXRTJFU-UHFFFAOYSA-N 2 1 320.481 2.777 20 0 DFADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000635266971 430242530 /nfs/dbraw/zinc/24/25/30/430242530.db2.gz HZRUDVVMEXOIHZ-KRWDZBQOSA-N 2 1 315.461 2.953 20 0 DFADMP COCCc1ncc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000638146712 430250726 /nfs/dbraw/zinc/25/07/26/430250726.db2.gz PLGTUOUWROGYOO-CQSZACIVSA-N 2 1 320.462 2.502 20 0 DFADMP COCCc1ncc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000638146712 430250730 /nfs/dbraw/zinc/25/07/30/430250730.db2.gz PLGTUOUWROGYOO-CQSZACIVSA-N 2 1 320.462 2.502 20 0 DFADMP CO[C@]1(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCOC1 ZINC000638154788 430254489 /nfs/dbraw/zinc/25/44/89/430254489.db2.gz UWHYVIUUBGKBKP-HKUYNNGSSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000581999746 430257936 /nfs/dbraw/zinc/25/79/36/430257936.db2.gz FVPPPYCRAPPVMX-IXDOHACOSA-N 2 1 309.498 2.665 20 0 DFADMP Cn1cncc1CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000582010689 430260585 /nfs/dbraw/zinc/26/05/85/430260585.db2.gz ABIVLDZEYURUGC-IBGZPJMESA-N 2 1 312.461 2.954 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000582010689 430260588 /nfs/dbraw/zinc/26/05/88/430260588.db2.gz ABIVLDZEYURUGC-IBGZPJMESA-N 2 1 312.461 2.954 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCCN(c2ccccc2)C1 ZINC000582010689 430260593 /nfs/dbraw/zinc/26/05/93/430260593.db2.gz ABIVLDZEYURUGC-IBGZPJMESA-N 2 1 312.461 2.954 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](C)CO ZINC000582180955 430277073 /nfs/dbraw/zinc/27/70/73/430277073.db2.gz YJLVRJKKIYHCBJ-NUJGCVRESA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](C)CO ZINC000582180955 430277076 /nfs/dbraw/zinc/27/70/76/430277076.db2.gz YJLVRJKKIYHCBJ-NUJGCVRESA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638251444 430285602 /nfs/dbraw/zinc/28/56/02/430285602.db2.gz HVUNJXUWBRLWSD-CJNGLKHVSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@H](CCC[NH3+])NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638251444 430285606 /nfs/dbraw/zinc/28/56/06/430285606.db2.gz HVUNJXUWBRLWSD-CJNGLKHVSA-N 2 1 323.868 2.548 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638068310 430225338 /nfs/dbraw/zinc/22/53/38/430225338.db2.gz WTXDLLKQQVDAHA-BBWFWOEESA-N 2 1 311.514 2.624 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1 ZINC000581733944 430235433 /nfs/dbraw/zinc/23/54/33/430235433.db2.gz QUSDOZXPQKIZMA-OALUTQOASA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000581733944 430235436 /nfs/dbraw/zinc/23/54/36/430235436.db2.gz QUSDOZXPQKIZMA-OALUTQOASA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000581733944 430235439 /nfs/dbraw/zinc/23/54/39/430235439.db2.gz QUSDOZXPQKIZMA-OALUTQOASA-N 2 1 304.478 2.786 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC1(F)F ZINC000638305427 430299416 /nfs/dbraw/zinc/29/94/16/430299416.db2.gz XJFJXVJDYKOMOQ-XJKSGUPXSA-N 2 1 310.388 2.652 20 0 DFADMP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)OC ZINC000638304351 430299621 /nfs/dbraw/zinc/29/96/21/430299621.db2.gz FWOAHCQRRZACHL-VQIMIIECSA-N 2 1 320.477 2.670 20 0 DFADMP Cc1nnsc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000638309736 430300348 /nfs/dbraw/zinc/30/03/48/430300348.db2.gz PBAKNDFNWXOIKZ-UHFFFAOYSA-N 2 1 302.447 2.732 20 0 DFADMP C[N@@H+](CC(=O)N[C@@H](CCC[NH3+])c1ccccc1)CC(C)(C)C ZINC000638330255 430306812 /nfs/dbraw/zinc/30/68/12/430306812.db2.gz UBORAMVKZRGLBY-INIZCTEOSA-N 2 1 305.466 2.561 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCC[C@@H]3CCO3)CC2)cc1 ZINC000638344570 430309336 /nfs/dbraw/zinc/30/93/36/430309336.db2.gz OHUWVIDHKUGUBY-LJQANCHMSA-N 2 1 302.462 2.852 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c[nH]c2ncncc12 ZINC000638365521 430319093 /nfs/dbraw/zinc/31/90/93/430319093.db2.gz FHCTVZPCDQJZHV-AWEZNQCLSA-N 2 1 301.438 2.654 20 0 DFADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000638366566 430319216 /nfs/dbraw/zinc/31/92/16/430319216.db2.gz OJUYVPIGCWOOIC-FUHWJXTLSA-N 2 1 312.498 2.530 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638371955 430320920 /nfs/dbraw/zinc/32/09/20/430320920.db2.gz UXVUPDHHTINONZ-XEZPLFJOSA-N 2 1 323.868 2.546 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638371955 430320925 /nfs/dbraw/zinc/32/09/25/430320925.db2.gz UXVUPDHHTINONZ-XEZPLFJOSA-N 2 1 323.868 2.546 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000568177757 430324254 /nfs/dbraw/zinc/32/42/54/430324254.db2.gz NZNHRAISFGFYEQ-KBXCAEBGSA-N 2 1 314.433 2.701 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000568169603 430325093 /nfs/dbraw/zinc/32/50/93/430325093.db2.gz OGVSCXCQCQVGOE-UHFFFAOYSA-N 2 1 314.433 2.540 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)CCCc1c[nH+]cn1C ZINC000568169603 430325096 /nfs/dbraw/zinc/32/50/96/430325096.db2.gz OGVSCXCQCQVGOE-UHFFFAOYSA-N 2 1 314.433 2.540 20 0 DFADMP CC[N@@H+](CCCNC(=O)c1oc(C[NH3+])cc1C)C1CCCCC1 ZINC000638383013 430325625 /nfs/dbraw/zinc/32/56/25/430325625.db2.gz BCDGVDKNWSTFHO-UHFFFAOYSA-N 2 1 321.465 2.821 20 0 DFADMP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000582730080 430328324 /nfs/dbraw/zinc/32/83/24/430328324.db2.gz JQQIZXAIUXZLAY-CQSZACIVSA-N 2 1 314.433 2.782 20 0 DFADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000638411168 430333784 /nfs/dbraw/zinc/33/37/84/430333784.db2.gz LLGFROGSQQJDLZ-HPFXQQBRSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638408586 430334146 /nfs/dbraw/zinc/33/41/46/430334146.db2.gz OQULNWFMUWAPNW-YYIAUSFCSA-N 2 1 323.525 2.780 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000582794719 430335727 /nfs/dbraw/zinc/33/57/27/430335727.db2.gz PZNCSLMNCIVHDC-INIZCTEOSA-N 2 1 307.825 2.719 20 0 DFADMP CO[C@@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000638419728 430337685 /nfs/dbraw/zinc/33/76/85/430337685.db2.gz ITHGJGIKPVXNOZ-KRWDZBQOSA-N 2 1 303.381 2.834 20 0 DFADMP CN(CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000582902201 430345285 /nfs/dbraw/zinc/34/52/85/430345285.db2.gz BOZYXFAILUTHRY-SFHVURJKSA-N 2 1 301.478 2.931 20 0 DFADMP COCC1(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000638521832 430366160 /nfs/dbraw/zinc/36/61/60/430366160.db2.gz QGLFIGOTGXAWMU-IBGZPJMESA-N 2 1 316.489 2.957 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N1CCC(CC[NH3+])CC1)c1cccc(Cl)c1 ZINC000568525428 430366987 /nfs/dbraw/zinc/36/69/87/430366987.db2.gz PEUDZVRYFRPRLN-MRXNPFEDSA-N 2 1 323.868 2.530 20 0 DFADMP C[N@H+]1CC[C@@H](CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000635760370 430368413 /nfs/dbraw/zinc/36/84/13/430368413.db2.gz REPKJUSYLJZZAZ-KRWDZBQOSA-N 2 1 315.461 2.605 20 0 DFADMP CO[C@@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCCC1 ZINC000638559143 430376442 /nfs/dbraw/zinc/37/64/42/430376442.db2.gz SMKHBRBDSGFWJU-SFHVURJKSA-N 2 1 324.509 2.816 20 0 DFADMP OC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC000568618470 430376575 /nfs/dbraw/zinc/37/65/75/430376575.db2.gz JMUIGMSPNJQYCF-VQTJNVASSA-N 2 1 322.452 2.599 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000635790789 430377021 /nfs/dbraw/zinc/37/70/21/430377021.db2.gz ZERPCMXLTZPDLA-GOSISDBHSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000583278817 430380609 /nfs/dbraw/zinc/38/06/09/430380609.db2.gz JGQCDHNAYPULKV-VVLHAWIVSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000583278817 430380611 /nfs/dbraw/zinc/38/06/11/430380611.db2.gz JGQCDHNAYPULKV-VVLHAWIVSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547281426 430383391 /nfs/dbraw/zinc/38/33/91/430383391.db2.gz AEIFUEDOCULHLC-ZWKOTPCHSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547281426 430383395 /nfs/dbraw/zinc/38/33/95/430383395.db2.gz AEIFUEDOCULHLC-ZWKOTPCHSA-N 2 1 324.896 2.953 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1 ZINC000583380248 430389559 /nfs/dbraw/zinc/38/95/59/430389559.db2.gz UZIKDVGFJRSOKG-KRWDZBQOSA-N 2 1 317.477 2.729 20 0 DFADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557711 430406267 /nfs/dbraw/zinc/40/62/67/430406267.db2.gz XFCYRFAJEHMFRH-SJLPKXTDSA-N 2 1 323.525 2.876 20 0 DFADMP C[NH+](C)Cc1cc(NC(=O)C[C@@H]2CC[N@H+](C)C2)ccc1Cl ZINC000635893579 430406355 /nfs/dbraw/zinc/40/63/55/430406355.db2.gz VCXUXXVIZIPAGI-LBPRGKRZSA-N 2 1 309.841 2.682 20 0 DFADMP C[NH+](C)Cc1cc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000635893579 430406359 /nfs/dbraw/zinc/40/63/59/430406359.db2.gz VCXUXXVIZIPAGI-LBPRGKRZSA-N 2 1 309.841 2.682 20 0 DFADMP O=C(C[C@@H]1CCC[NH2+]1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000583563104 430406571 /nfs/dbraw/zinc/40/65/71/430406571.db2.gz CTFZJGDPATYYHW-ZDUSSCGKSA-N 2 1 322.478 2.600 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060481 430444717 /nfs/dbraw/zinc/44/47/17/430444717.db2.gz AWSSODBNXBGMPH-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060481 430444720 /nfs/dbraw/zinc/44/47/20/430444720.db2.gz AWSSODBNXBGMPH-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](C[NH+]1CCC[C@H](C)C1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060481 430444722 /nfs/dbraw/zinc/44/47/22/430444722.db2.gz AWSSODBNXBGMPH-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1N ZINC000641733973 430454790 /nfs/dbraw/zinc/45/47/90/430454790.db2.gz WEYWFWNOOUIPOW-DNVCBOLYSA-N 2 1 310.445 2.664 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1N ZINC000641733973 430454792 /nfs/dbraw/zinc/45/47/92/430454792.db2.gz WEYWFWNOOUIPOW-DNVCBOLYSA-N 2 1 310.445 2.664 20 0 DFADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000638853405 430455868 /nfs/dbraw/zinc/45/58/68/430455868.db2.gz FJAHMPPFQWEFON-RTBURBONSA-N 2 1 320.477 2.668 20 0 DFADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000638853734 430456234 /nfs/dbraw/zinc/45/62/34/430456234.db2.gz JABBMJQRVVINRA-UHFFFAOYSA-N 2 1 304.463 2.977 20 0 DFADMP Cc1nnsc1C[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000638853734 430456237 /nfs/dbraw/zinc/45/62/37/430456237.db2.gz JABBMJQRVVINRA-UHFFFAOYSA-N 2 1 304.463 2.977 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CC3(F)F)CC2)nc(C)[nH+]1 ZINC000638874454 430463697 /nfs/dbraw/zinc/46/36/97/430463697.db2.gz TYGUSKBKISNHSK-FZMZJTMJSA-N 2 1 310.392 2.696 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000641770445 430467841 /nfs/dbraw/zinc/46/78/41/430467841.db2.gz RZCIJDNRDRXPTC-LLYBFZRZSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000641771185 430468242 /nfs/dbraw/zinc/46/82/42/430468242.db2.gz DNUWOEKWGVRENS-SFHVURJKSA-N 2 1 315.461 2.726 20 0 DFADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCN1CCC(O)CC1 ZINC000569640783 430471717 /nfs/dbraw/zinc/47/17/17/430471717.db2.gz ABFOQVUICLGSQQ-OAHLLOKOSA-N 2 1 306.450 2.501 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000641805375 430478308 /nfs/dbraw/zinc/47/83/08/430478308.db2.gz NJFFXNKQOKRGIQ-LWWSYDQCSA-N 2 1 323.868 2.621 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641808953 430479818 /nfs/dbraw/zinc/47/98/18/430479818.db2.gz VDAQJDAOBIIOPB-BPNCWPANSA-N 2 1 309.841 2.691 20 0 DFADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000583794412 430429611 /nfs/dbraw/zinc/42/96/11/430429611.db2.gz OWTZUMMTUIKCBY-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969365 430483760 /nfs/dbraw/zinc/48/37/60/430483760.db2.gz GKTWMSFVAORVBW-VQHPVUNQSA-N 2 1 321.509 2.676 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CS1 ZINC000638971288 430484687 /nfs/dbraw/zinc/48/46/87/430484687.db2.gz QWDWLTQQVNRVFS-OLMNPRSZSA-N 2 1 320.502 2.627 20 0 DFADMP CO[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000163897188 277740546 /nfs/dbraw/zinc/74/05/46/277740546.db2.gz WTMILKKOCPRAER-MOPGFXCFSA-N 2 1 320.452 2.990 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000548719913 430495305 /nfs/dbraw/zinc/49/53/05/430495305.db2.gz TWCFTKWVQFXACP-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000548719913 430495309 /nfs/dbraw/zinc/49/53/09/430495309.db2.gz TWCFTKWVQFXACP-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000548719913 430495310 /nfs/dbraw/zinc/49/53/10/430495310.db2.gz TWCFTKWVQFXACP-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636253715 430496836 /nfs/dbraw/zinc/49/68/36/430496836.db2.gz ONBSACBVHRDOCY-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636253715 430496839 /nfs/dbraw/zinc/49/68/39/430496839.db2.gz ONBSACBVHRDOCY-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636253715 430496841 /nfs/dbraw/zinc/49/68/41/430496841.db2.gz ONBSACBVHRDOCY-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)o1 ZINC000569919117 430496915 /nfs/dbraw/zinc/49/69/15/430496915.db2.gz JPMXVZCQDKGYSY-BBWFWOEESA-N 2 1 305.466 2.703 20 0 DFADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000570018522 430505305 /nfs/dbraw/zinc/50/53/05/430505305.db2.gz ZYZTTWOKACVINB-UHFFFAOYSA-N 2 1 308.388 2.686 20 0 DFADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000570018522 430505309 /nfs/dbraw/zinc/50/53/09/430505309.db2.gz ZYZTTWOKACVINB-UHFFFAOYSA-N 2 1 308.388 2.686 20 0 DFADMP COc1cccc(OC)c1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077492 430514805 /nfs/dbraw/zinc/51/48/05/430514805.db2.gz MPEKULPGUHNNKW-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cccc(OC)c1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077492 430514809 /nfs/dbraw/zinc/51/48/09/430514809.db2.gz MPEKULPGUHNNKW-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570202045 430521943 /nfs/dbraw/zinc/52/19/43/430521943.db2.gz AZCXCNRBYFYLRA-LSBZLQRGSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570202045 430521945 /nfs/dbraw/zinc/52/19/45/430521945.db2.gz AZCXCNRBYFYLRA-LSBZLQRGSA-N 2 1 302.462 2.745 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000642630959 430522480 /nfs/dbraw/zinc/52/24/80/430522480.db2.gz SHQHVKPJJNYCOC-JQHSSLGASA-N 2 1 315.461 2.929 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106186 430526873 /nfs/dbraw/zinc/52/68/73/430526873.db2.gz WXDHGZMETXSQEI-QZTJIDSGSA-N 2 1 301.478 2.929 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000549822693 430532016 /nfs/dbraw/zinc/53/20/16/430532016.db2.gz WNGNOAIPVXJVEY-RTBURBONSA-N 2 1 305.510 2.977 20 0 DFADMP COc1cccc(OC)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000639175281 430555757 /nfs/dbraw/zinc/55/57/57/430555757.db2.gz KXPPSSQWVXLLAX-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP COc1cccc(OC)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000639175281 430555762 /nfs/dbraw/zinc/55/57/62/430555762.db2.gz KXPPSSQWVXLLAX-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000639180762 430559625 /nfs/dbraw/zinc/55/96/25/430559625.db2.gz YCMOCNWSYNBDDQ-BEFAXECRSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000639180762 430559630 /nfs/dbraw/zinc/55/96/30/430559630.db2.gz YCMOCNWSYNBDDQ-BEFAXECRSA-N 2 1 310.445 2.854 20 0 DFADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000570709416 430570449 /nfs/dbraw/zinc/57/04/49/430570449.db2.gz WQDSPRLQXBPWEW-DOMZBBRYSA-N 2 1 310.388 2.907 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@]3(CC[NH+](C)C3)C1)CC2 ZINC000639204619 430572099 /nfs/dbraw/zinc/57/20/99/430572099.db2.gz UKFXILMICPEFLN-VQIMIIECSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)CC2 ZINC000639204619 430572100 /nfs/dbraw/zinc/57/21/00/430572100.db2.gz UKFXILMICPEFLN-VQIMIIECSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)CC2 ZINC000639204619 430572104 /nfs/dbraw/zinc/57/21/04/430572104.db2.gz UKFXILMICPEFLN-VQIMIIECSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000639204619 430572106 /nfs/dbraw/zinc/57/21/06/430572106.db2.gz UKFXILMICPEFLN-VQIMIIECSA-N 2 1 316.445 2.719 20 0 DFADMP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCOC1 ZINC000643346441 430589039 /nfs/dbraw/zinc/58/90/39/430589039.db2.gz NRGPLBKJWKBTLV-QGZVFWFLSA-N 2 1 306.450 2.626 20 0 DFADMP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)([NH+](C)C)C1 ZINC000552223292 430591123 /nfs/dbraw/zinc/59/11/23/430591123.db2.gz MMNAGPYQIJMRFD-LFDJNIOPSA-N 2 1 307.526 2.959 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000643374888 430595310 /nfs/dbraw/zinc/59/53/10/430595310.db2.gz YPYTUFNPRRRALY-ZCNNSNEGSA-N 2 1 313.489 2.502 20 0 DFADMP C(C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1)[C@H]1CCC[NH2+]C1 ZINC000643057523 430545874 /nfs/dbraw/zinc/54/58/74/430545874.db2.gz NGMZLWDOHKCLOR-HIFRSBDPSA-N 2 1 304.438 2.864 20 0 DFADMP C(C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1)[C@H]1CCC[NH2+]C1 ZINC000643057523 430545875 /nfs/dbraw/zinc/54/58/75/430545875.db2.gz NGMZLWDOHKCLOR-HIFRSBDPSA-N 2 1 304.438 2.864 20 0 DFADMP CCOCCN1CC[N@H+](Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639478024 430650576 /nfs/dbraw/zinc/65/05/76/430650576.db2.gz GPJGFCFIDBEYPR-INIZCTEOSA-N 2 1 305.466 2.549 20 0 DFADMP CCOCCN1CC[N@@H+](Cc2c(C)cc(C)nc2C)C[C@@H]1C ZINC000639478024 430650578 /nfs/dbraw/zinc/65/05/78/430650578.db2.gz GPJGFCFIDBEYPR-INIZCTEOSA-N 2 1 305.466 2.549 20 0 DFADMP Cc1cnc(CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000571758782 430651251 /nfs/dbraw/zinc/65/12/51/430651251.db2.gz WESYKYWIKUDVAC-SFHVURJKSA-N 2 1 301.478 2.905 20 0 DFADMP Cc1cnc(CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000571758782 430651255 /nfs/dbraw/zinc/65/12/55/430651255.db2.gz WESYKYWIKUDVAC-SFHVURJKSA-N 2 1 301.478 2.905 20 0 DFADMP Cc1cnc(CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000571758782 430651259 /nfs/dbraw/zinc/65/12/59/430651259.db2.gz WESYKYWIKUDVAC-SFHVURJKSA-N 2 1 301.478 2.905 20 0 DFADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)COCC2 ZINC000639494878 430654538 /nfs/dbraw/zinc/65/45/38/430654538.db2.gz KYMSOLPYNFVLTJ-INIZCTEOSA-N 2 1 300.446 2.677 20 0 DFADMP COc1cccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000571821142 430654782 /nfs/dbraw/zinc/65/47/82/430654782.db2.gz NIMAUVMKMUTQFX-AOIWGVFYSA-N 2 1 317.477 2.692 20 0 DFADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000643459742 430604575 /nfs/dbraw/zinc/60/45/75/430604575.db2.gz DHPNECZJQWFNPF-OALUTQOASA-N 2 1 323.440 2.629 20 0 DFADMP COc1ccc([C@H]([NH2+]C2CCC(CO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643471295 430605437 /nfs/dbraw/zinc/60/54/37/430605437.db2.gz OWMNDGCPBSCSIL-RYTUYPIVSA-N 2 1 318.461 2.629 20 0 DFADMP COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643471033 430605674 /nfs/dbraw/zinc/60/56/74/430605674.db2.gz OWMNDGCPBSCSIL-HYEGPXJVSA-N 2 1 318.461 2.629 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643479191 430607279 /nfs/dbraw/zinc/60/72/79/430607279.db2.gz JERKENOTKFWJFD-AEFFLSMTSA-N 2 1 324.428 2.783 20 0 DFADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643493945 430608802 /nfs/dbraw/zinc/60/88/02/430608802.db2.gz QTFBCHBXQDZKCA-CWRNSKLLSA-N 2 1 318.465 2.617 20 0 DFADMP O=C1Nc2ccccc2C12CCC([NH2+]C[C@@H]1CCCC[NH2+]1)CC2 ZINC000643501632 430609539 /nfs/dbraw/zinc/60/95/39/430609539.db2.gz MUKLGWPDVZHJGL-HVEKOLDVSA-N 2 1 313.445 2.551 20 0 DFADMP C[C@@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000643528370 430613121 /nfs/dbraw/zinc/61/31/21/430613121.db2.gz IHMXCJKTEUSERX-CABCVRRESA-N 2 1 324.428 2.911 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643537073 430614751 /nfs/dbraw/zinc/61/47/51/430614751.db2.gz YSYHRMFMWFUNMF-KSSFIOAISA-N 3 1 310.445 2.973 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639345910 430617542 /nfs/dbraw/zinc/61/75/42/430617542.db2.gz CLJPEEFZJXYGJD-ROUUACIJSA-N 2 1 301.478 2.834 20 0 DFADMP O[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC/C=C/c2ccc(F)cc2F)C1 ZINC000639370910 430622655 /nfs/dbraw/zinc/62/26/55/430622655.db2.gz FDIMBRSYPONBKF-WOTYUESJSA-N 2 1 322.399 2.555 20 0 DFADMP O[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC/C=C/c2ccc(F)cc2F)C1 ZINC000639370910 430622657 /nfs/dbraw/zinc/62/26/57/430622657.db2.gz FDIMBRSYPONBKF-WOTYUESJSA-N 2 1 322.399 2.555 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554085285 430627645 /nfs/dbraw/zinc/62/76/45/430627645.db2.gz FUTXDZJHISTAFF-UHOSZYNNSA-N 2 1 304.478 2.751 20 0 DFADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)F ZINC000639378400 430628037 /nfs/dbraw/zinc/62/80/37/430628037.db2.gz UTVVBHQKCBLWSP-BHYGNILZSA-N 2 1 324.415 2.960 20 0 DFADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)F ZINC000639378400 430628038 /nfs/dbraw/zinc/62/80/38/430628038.db2.gz UTVVBHQKCBLWSP-BHYGNILZSA-N 2 1 324.415 2.960 20 0 DFADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C)CC1)CC3 ZINC000123042701 277940983 /nfs/dbraw/zinc/94/09/83/277940983.db2.gz NBMSDUVTKKMTIJ-CQSZACIVSA-N 2 1 313.445 2.718 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000571461813 430629260 /nfs/dbraw/zinc/62/92/60/430629260.db2.gz JBZMWLCWRFFLLQ-HZPDHXFCSA-N 2 1 317.477 2.574 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000554427907 430636260 /nfs/dbraw/zinc/63/62/60/430636260.db2.gz XYEZWWOWAXTCHO-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP CCC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571641154 430642898 /nfs/dbraw/zinc/64/28/98/430642898.db2.gz DJMYSNZWSFERHB-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP CCC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571641154 430642900 /nfs/dbraw/zinc/64/29/00/430642900.db2.gz DJMYSNZWSFERHB-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000571946516 430663164 /nfs/dbraw/zinc/66/31/64/430663164.db2.gz ZRQPGNGXICQCSF-UHFFFAOYSA-N 2 1 307.486 2.585 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000571946516 430663168 /nfs/dbraw/zinc/66/31/68/430663168.db2.gz ZRQPGNGXICQCSF-UHFFFAOYSA-N 2 1 307.486 2.585 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000555427987 430667818 /nfs/dbraw/zinc/66/78/18/430667818.db2.gz ZRIXDDYWZLHRQG-AVEIZBFRSA-N 2 1 312.498 2.669 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCc2cnccn2)CC1)CC1CC1 ZINC000639558951 430671005 /nfs/dbraw/zinc/67/10/05/430671005.db2.gz LOLDQLUZWWLCJR-UHFFFAOYSA-N 2 1 316.493 2.853 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC000572094828 430671583 /nfs/dbraw/zinc/67/15/83/430671583.db2.gz MKUSUHLCGXZSIJ-ZBFHGGJFSA-N 2 1 306.450 2.653 20 0 DFADMP C[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000639589043 430677896 /nfs/dbraw/zinc/67/78/96/430677896.db2.gz IRSLIDMAAVUSTD-JFRXWTBNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639589033 430678005 /nfs/dbraw/zinc/67/80/05/430678005.db2.gz IKYWQAYSAAJNFV-MAUKXSAKSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000572247256 430678210 /nfs/dbraw/zinc/67/82/10/430678210.db2.gz ZZSFQCGRCNWLBB-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@@]3(CCCOC3)C2)c(C)n1 ZINC000639623308 430683960 /nfs/dbraw/zinc/68/39/60/430683960.db2.gz IYFUARCHFLAJQP-YJBOKZPZSA-N 2 1 304.434 2.777 20 0 DFADMP Cc1cc(C)c(CN2C[C@H](C)O[C@@]3(CCCOC3)C2)c(C)n1 ZINC000639623308 430683964 /nfs/dbraw/zinc/68/39/64/430683964.db2.gz IYFUARCHFLAJQP-YJBOKZPZSA-N 2 1 304.434 2.777 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC000277029099 278034404 /nfs/dbraw/zinc/03/44/04/278034404.db2.gz MGUZKZDNPZDILR-HOCLYGCPSA-N 2 1 311.429 2.601 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnc(-c2ccncc2)s1 ZINC000572409199 430686275 /nfs/dbraw/zinc/68/62/75/430686275.db2.gz CDTXEMALVIVJGE-BBRMVZONSA-N 2 1 316.474 2.977 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000572512062 430688951 /nfs/dbraw/zinc/68/89/51/430688951.db2.gz CJYFIAYCZSCXDC-HSALFYBXSA-N 2 1 310.441 2.740 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000572512062 430688952 /nfs/dbraw/zinc/68/89/52/430688952.db2.gz CJYFIAYCZSCXDC-HSALFYBXSA-N 2 1 310.441 2.740 20 0 DFADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261977007 278169649 /nfs/dbraw/zinc/16/96/49/278169649.db2.gz RGVKRJFIVYPNQD-GVDBMIGSSA-N 2 1 320.502 2.964 20 0 DFADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000556703531 430689522 /nfs/dbraw/zinc/68/95/22/430689522.db2.gz KXOQZPXPMFJLCM-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP Cc1nn(C)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000556703531 430689524 /nfs/dbraw/zinc/68/95/24/430689524.db2.gz KXOQZPXPMFJLCM-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000268929651 278343715 /nfs/dbraw/zinc/34/37/15/278343715.db2.gz QIZKNDCRPYBYOJ-HIFRSBDPSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000657710601 430716253 /nfs/dbraw/zinc/71/62/53/430716253.db2.gz WZFPAKASOZSPPV-YSHGAJCASA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000657710601 430716257 /nfs/dbraw/zinc/71/62/57/430716257.db2.gz WZFPAKASOZSPPV-YSHGAJCASA-N 2 1 314.473 2.933 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000657753188 430726048 /nfs/dbraw/zinc/72/60/48/430726048.db2.gz VEIIRENVLBZZCC-STOZHHMFSA-N 2 1 322.399 2.821 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657752354 430726297 /nfs/dbraw/zinc/72/62/97/430726297.db2.gz YUXWQOIFCJUYHR-QFRLHKFZSA-N 2 1 304.409 2.682 20 0 DFADMP C=Cc1ccc(CC[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644651714 430781112 /nfs/dbraw/zinc/78/11/12/430781112.db2.gz ROZMFYBSDYPNET-NRFANRHFSA-N 2 1 324.468 2.955 20 0 DFADMP C=Cc1ccc(CC[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644651714 430781117 /nfs/dbraw/zinc/78/11/17/430781117.db2.gz ROZMFYBSDYPNET-NRFANRHFSA-N 2 1 324.468 2.955 20 0 DFADMP C[C@H](Cc1cccs1)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644519195 430742415 /nfs/dbraw/zinc/74/24/15/430742415.db2.gz GIHAKPGFWYDJLV-NVXWUHKLSA-N 2 1 318.486 2.762 20 0 DFADMP C[C@H](Cc1cccs1)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644519195 430742421 /nfs/dbraw/zinc/74/24/21/430742421.db2.gz GIHAKPGFWYDJLV-NVXWUHKLSA-N 2 1 318.486 2.762 20 0 DFADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000661520207 430746526 /nfs/dbraw/zinc/74/65/26/430746526.db2.gz FTRDCWGZHUEMSE-LDQXTDLNSA-N 2 1 324.468 2.797 20 0 DFADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000661520207 430746533 /nfs/dbraw/zinc/74/65/33/430746533.db2.gz FTRDCWGZHUEMSE-LDQXTDLNSA-N 2 1 324.468 2.797 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867803 430757766 /nfs/dbraw/zinc/75/77/66/430757766.db2.gz PKFMLLPORLIZOC-OALUTQOASA-N 2 1 314.473 2.852 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657875777 430758614 /nfs/dbraw/zinc/75/86/14/430758614.db2.gz PFUWANAHESPXNT-UNEWFSDZSA-N 2 1 310.869 2.878 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)[C@@H](C)C1 ZINC000657884456 430760041 /nfs/dbraw/zinc/76/00/41/430760041.db2.gz ULFBYIWWZHYUHZ-ULQDDVLXSA-N 2 1 314.539 2.999 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000658003574 430783704 /nfs/dbraw/zinc/78/37/04/430783704.db2.gz SPZQXYRYATUARB-AWEZNQCLSA-N 2 1 316.449 2.504 20 0 DFADMP CCOC1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000657918430 430767072 /nfs/dbraw/zinc/76/70/72/430767072.db2.gz CIELTDSVSYGMJP-OQSMONGASA-N 2 1 312.498 2.813 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCn2nccc21)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969796 430776847 /nfs/dbraw/zinc/77/68/47/430776847.db2.gz UTFJUHGTCMSJCL-ZOBUZTSGSA-N 2 1 302.466 2.961 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCn2nccc21)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969796 430776849 /nfs/dbraw/zinc/77/68/49/430776849.db2.gz UTFJUHGTCMSJCL-ZOBUZTSGSA-N 2 1 302.466 2.961 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000658136327 430821225 /nfs/dbraw/zinc/82/12/25/430821225.db2.gz HVCJOZWDBMQEPW-ROUUACIJSA-N 2 1 320.502 2.629 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cscn1 ZINC000658140046 430822513 /nfs/dbraw/zinc/82/25/13/430822513.db2.gz SFTUHUPLPVKNQZ-CJNGLKHVSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cscn1 ZINC000658140046 430822518 /nfs/dbraw/zinc/82/25/18/430822518.db2.gz SFTUHUPLPVKNQZ-CJNGLKHVSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC(F)(F)F ZINC000644670253 430784561 /nfs/dbraw/zinc/78/45/61/430784561.db2.gz LFZGIFPWIAUIOU-HIFRSBDPSA-N 2 1 318.383 2.657 20 0 DFADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC(F)(F)F ZINC000644670253 430784566 /nfs/dbraw/zinc/78/45/66/430784566.db2.gz LFZGIFPWIAUIOU-HIFRSBDPSA-N 2 1 318.383 2.657 20 0 DFADMP COC1([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000658042323 430790791 /nfs/dbraw/zinc/79/07/91/430790791.db2.gz UKLYKMMQWGXWAN-JQHSSLGASA-N 2 1 302.462 2.879 20 0 DFADMP COC[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000658084299 430803292 /nfs/dbraw/zinc/80/32/92/430803292.db2.gz IGJKLHURCBXXIC-WDSOQIARSA-N 2 1 320.477 2.538 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658094315 430808371 /nfs/dbraw/zinc/80/83/71/430808371.db2.gz YGNAIUWZYVMSTQ-SFHVURJKSA-N 2 1 316.493 2.508 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658094315 430808374 /nfs/dbraw/zinc/80/83/74/430808374.db2.gz YGNAIUWZYVMSTQ-SFHVURJKSA-N 2 1 316.493 2.508 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000658230496 430845699 /nfs/dbraw/zinc/84/56/99/430845699.db2.gz ZEJLJSIFPJYKBF-YSHGAJCASA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000658230496 430845703 /nfs/dbraw/zinc/84/57/03/430845703.db2.gz ZEJLJSIFPJYKBF-YSHGAJCASA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000658230496 430845706 /nfs/dbraw/zinc/84/57/06/430845706.db2.gz ZEJLJSIFPJYKBF-YSHGAJCASA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+]C[C@H](CO)CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658257284 430854801 /nfs/dbraw/zinc/85/48/01/430854801.db2.gz ZEYYRJNDCADNNY-DBVUQKKJSA-N 2 1 316.489 2.895 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000665298845 430889152 /nfs/dbraw/zinc/88/91/52/430889152.db2.gz AUJPMYHSXDCTHZ-OLZOCXBDSA-N 2 1 301.390 2.710 20 0 DFADMP COc1cc(OC)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1F ZINC000651725776 430860369 /nfs/dbraw/zinc/86/03/69/430860369.db2.gz ORVNXWAKMKEXIN-GOOCMWNKSA-N 2 1 322.424 2.948 20 0 DFADMP COc1cc(OC)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC000651725776 430860374 /nfs/dbraw/zinc/86/03/74/430860374.db2.gz ORVNXWAKMKEXIN-GOOCMWNKSA-N 2 1 322.424 2.948 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000651738185 430863044 /nfs/dbraw/zinc/86/30/44/430863044.db2.gz DJOKPXPHJZFKDD-ZBFHGGJFSA-N 2 1 300.450 2.888 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000651738185 430863050 /nfs/dbraw/zinc/86/30/50/430863050.db2.gz DJOKPXPHJZFKDD-ZBFHGGJFSA-N 2 1 300.450 2.888 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)[C@@H](CO)CC(C)(C)C)cc1 ZINC000648781846 430889243 /nfs/dbraw/zinc/88/92/43/430889243.db2.gz VCQLARJICFCMCR-QGZVFWFLSA-N 2 1 322.493 2.856 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCOC1 ZINC000665253377 430870931 /nfs/dbraw/zinc/87/09/31/430870931.db2.gz PDZAWKMRZSUPPT-MJSCVDMRSA-N 2 1 324.415 2.815 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@@H]2CCOC2)cc1 ZINC000665255452 430872133 /nfs/dbraw/zinc/87/21/33/430872133.db2.gz SSFVATKORAIILH-JZGRTCEGSA-N 2 1 318.461 2.545 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000648733647 430873229 /nfs/dbraw/zinc/87/32/29/430873229.db2.gz BOWIUWQQLAHHIQ-OAGGEKHMSA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000648733647 430873233 /nfs/dbraw/zinc/87/32/33/430873233.db2.gz BOWIUWQQLAHHIQ-OAGGEKHMSA-N 2 1 320.481 2.776 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665266784 430877354 /nfs/dbraw/zinc/87/73/54/430877354.db2.gz JRWZTLGBXCAIBV-HQRMLTQVSA-N 2 1 315.505 2.942 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccco2)[C@@H](C)C1 ZINC000658327222 430877752 /nfs/dbraw/zinc/87/77/52/430877752.db2.gz NGVYKPIKEDHIFX-FUHWJXTLSA-N 2 1 308.466 2.939 20 0 DFADMP C[NH2+]C[C@H](C)[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000665298685 430889576 /nfs/dbraw/zinc/88/95/76/430889576.db2.gz ZVEVXXNVOYBLDH-NHYWBVRUSA-N 2 1 311.267 2.968 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658349389 430883082 /nfs/dbraw/zinc/88/30/82/430883082.db2.gz SVZPXQYWQNXAJT-ZGXWSNOMSA-N 2 1 313.489 2.723 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)on1 ZINC000665299794 430890629 /nfs/dbraw/zinc/89/06/29/430890629.db2.gz SWWKLVWOKJWGEA-BBRMVZONSA-N 2 1 315.417 2.828 20 0 DFADMP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCCCC1 ZINC000645095048 430900181 /nfs/dbraw/zinc/90/01/81/430900181.db2.gz QXJPJULBVBQHHU-IEBWSBKVSA-N 2 1 307.526 2.915 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000648844970 430912017 /nfs/dbraw/zinc/91/20/17/430912017.db2.gz GMPVIAAJGLCILL-GJZGRUSLSA-N 2 1 320.481 2.585 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)CC1 ZINC000648858176 430918112 /nfs/dbraw/zinc/91/81/12/430918112.db2.gz KUCISADTBQGFLE-SJLPKXTDSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000645171920 430924314 /nfs/dbraw/zinc/92/43/14/430924314.db2.gz PCCNTOCZKNXTNQ-QXAKKESOSA-N 2 1 311.429 2.983 20 0 DFADMP Cc1nocc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000645171920 430924318 /nfs/dbraw/zinc/92/43/18/430924318.db2.gz PCCNTOCZKNXTNQ-QXAKKESOSA-N 2 1 311.429 2.983 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000648889250 430927012 /nfs/dbraw/zinc/92/70/12/430927012.db2.gz SAPSMBDUAVAZAO-QQFBHYJXSA-N 2 1 318.465 2.530 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCO[C@H](c2ccncc2)C1 ZINC000651966284 430927546 /nfs/dbraw/zinc/92/75/46/430927546.db2.gz BFCFFANWALJLEJ-AEFFLSMTSA-N 2 1 312.417 2.553 20 0 DFADMP c1cc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)ccn1 ZINC000651966098 430928392 /nfs/dbraw/zinc/92/83/92/430928392.db2.gz PDUVMBPBWWJLPG-MHORFTMASA-N 2 1 301.434 2.518 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655353710 430974886 /nfs/dbraw/zinc/97/48/86/430974886.db2.gz VMCLMWYQCSVHFZ-GJZGRUSLSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655353710 430974892 /nfs/dbraw/zinc/97/48/92/430974892.db2.gz VMCLMWYQCSVHFZ-GJZGRUSLSA-N 2 1 321.490 2.556 20 0 DFADMP CCCOc1cccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000662152766 430979546 /nfs/dbraw/zinc/97/95/46/430979546.db2.gz ZMKKGGUVFCLRLL-SFHVURJKSA-N 2 1 318.461 2.506 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CC2CCC2)CC1 ZINC000662158790 430984271 /nfs/dbraw/zinc/98/42/71/430984271.db2.gz XIBUDZBSGHUFAB-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2C1 ZINC000655446320 431012340 /nfs/dbraw/zinc/01/23/40/431012340.db2.gz OCLPBJYRAPTWSW-APWZRJJASA-N 2 1 313.445 2.740 20 0 DFADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1COc2ccccc2O1 ZINC000662249652 431012191 /nfs/dbraw/zinc/01/21/91/431012191.db2.gz RKUSGIGKXSXBEG-QGZVFWFLSA-N 2 1 324.424 2.604 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H](Cc2ccccc2)c2nccn2C)CC[N@H+]1C ZINC000652274855 431007593 /nfs/dbraw/zinc/00/75/93/431007593.db2.gz XJGXTPNYDTULBO-NXHRZFHOSA-N 2 1 312.461 2.776 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@]34CCC[NH2+]C4)c2C1 ZINC000655446320 431012335 /nfs/dbraw/zinc/01/23/35/431012335.db2.gz OCLPBJYRAPTWSW-APWZRJJASA-N 2 1 313.445 2.740 20 0 DFADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000655348568 430969948 /nfs/dbraw/zinc/96/99/48/430969948.db2.gz BZJOXLHHELASOX-OKZBNKHCSA-N 2 1 321.509 2.630 20 0 DFADMP Clc1ccc([C@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256609 431019570 /nfs/dbraw/zinc/01/95/70/431019570.db2.gz WZPWUSSWDHGGOR-GOEBONIOSA-N 2 1 306.837 2.650 20 0 DFADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258682 431020222 /nfs/dbraw/zinc/02/02/22/431020222.db2.gz YZBMQWPYERKXJW-ZWKOTPCHSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257834 431020534 /nfs/dbraw/zinc/02/05/34/431020534.db2.gz RMGFDLPMXOZMES-RTBURBONSA-N 2 1 314.473 2.852 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662263313 431021160 /nfs/dbraw/zinc/02/11/60/431021160.db2.gz LHQZGHGKMADVAG-IBGZPJMESA-N 3 1 313.489 2.783 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662263313 431021163 /nfs/dbraw/zinc/02/11/63/431021163.db2.gz LHQZGHGKMADVAG-IBGZPJMESA-N 3 1 313.489 2.783 20 0 DFADMP c1ccc(NC[C@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000662266144 431021632 /nfs/dbraw/zinc/02/16/32/431021632.db2.gz XYIXHEBKCHDPBE-MRXNPFEDSA-N 3 1 322.456 2.661 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662262286 431022572 /nfs/dbraw/zinc/02/25/72/431022572.db2.gz DZKKQXJBDJDVIW-SFHVURJKSA-N 2 1 310.445 2.502 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662389606 431069220 /nfs/dbraw/zinc/06/92/20/431069220.db2.gz UDTSTULPHYKRRG-OAHLLOKOSA-N 2 1 315.461 2.532 20 0 DFADMP CC(C)=CCC[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000662269221 431025779 /nfs/dbraw/zinc/02/57/79/431025779.db2.gz ADTRVLBCXLSXFF-INIZCTEOSA-N 2 1 302.466 2.721 20 0 DFADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339995 431025861 /nfs/dbraw/zinc/02/58/61/431025861.db2.gz WVCWMGKMEMKZIX-IBGZPJMESA-N 2 1 310.445 2.711 20 0 DFADMP CCCc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348426 431027362 /nfs/dbraw/zinc/02/73/62/431027362.db2.gz DGRMUMSTEMKIDG-OFQRWUPVSA-N 2 1 323.506 2.814 20 0 DFADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349392 431027837 /nfs/dbraw/zinc/02/78/37/431027837.db2.gz MZYFXARXSRULRK-OTWHNJEPSA-N 2 1 302.462 2.967 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348225 431028090 /nfs/dbraw/zinc/02/80/90/431028090.db2.gz YEKLOFKKVIJVHR-MTHXSQLBSA-N 2 1 324.509 2.800 20 0 DFADMP C[C@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652355197 431029769 /nfs/dbraw/zinc/02/97/69/431029769.db2.gz QUCIVOOZCCGHCZ-GOEBONIOSA-N 2 1 314.433 2.728 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353198 431030635 /nfs/dbraw/zinc/03/06/35/431030635.db2.gz OXNIYUXSERISFD-WMZOPIPTSA-N 2 1 306.450 2.627 20 0 DFADMP Fc1ccc(SCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(F)c1 ZINC000662273793 431030706 /nfs/dbraw/zinc/03/07/06/431030706.db2.gz PERMAHMXXIMRGD-BETUJISGSA-N 2 1 312.429 2.988 20 0 DFADMP C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000652354440 431031046 /nfs/dbraw/zinc/03/10/46/431031046.db2.gz YRDDRJKXJVQBLN-WMZOPIPTSA-N 2 1 306.450 2.531 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652354748 431031264 /nfs/dbraw/zinc/03/12/64/431031264.db2.gz HFQPJEVXEBSWBU-ZBFHGGJFSA-N 2 1 320.433 2.634 20 0 DFADMP CC[N@@H+](CCc1nccs1)Cc1cccc2c1CC[NH2+]C2 ZINC000662279340 431031951 /nfs/dbraw/zinc/03/19/51/431031951.db2.gz RVSSZYYUSTYUTG-UHFFFAOYSA-N 2 1 301.459 2.853 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccncc2Cl)C1 ZINC000652363324 431033265 /nfs/dbraw/zinc/03/32/65/431033265.db2.gz AZKSSNLFJDKISO-FVQBIDKESA-N 2 1 309.841 2.596 20 0 DFADMP CC(C)(C)c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)no1 ZINC000652363780 431033418 /nfs/dbraw/zinc/03/34/18/431033418.db2.gz NHODCPYPAXIQTO-FVQBIDKESA-N 2 1 321.465 2.833 20 0 DFADMP CC(C)(C)c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)no1 ZINC000652363780 431033426 /nfs/dbraw/zinc/03/34/26/431033426.db2.gz NHODCPYPAXIQTO-FVQBIDKESA-N 2 1 321.465 2.833 20 0 DFADMP OCCC[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662286849 431034611 /nfs/dbraw/zinc/03/46/11/431034611.db2.gz SRBVUCGWUHHSLM-UHFFFAOYSA-N 2 1 310.441 2.717 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293791 431035003 /nfs/dbraw/zinc/03/50/03/431035003.db2.gz NVCUPOYPMNIZHD-QGZVFWFLSA-N 2 1 317.477 2.919 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CCCC1 ZINC000662284994 431035464 /nfs/dbraw/zinc/03/54/64/431035464.db2.gz TUUCHCLRLFSGIG-XWTMOSNGSA-N 2 1 310.482 2.552 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294567 431035477 /nfs/dbraw/zinc/03/54/77/431035477.db2.gz QXOARHAPKDTJBM-KRWDZBQOSA-N 2 1 318.461 2.786 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CCCC1 ZINC000662284995 431036227 /nfs/dbraw/zinc/03/62/27/431036227.db2.gz TUUCHCLRLFSGIG-ZJPYXAASSA-N 2 1 310.482 2.552 20 0 DFADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298032 431038445 /nfs/dbraw/zinc/03/84/45/431038445.db2.gz UEGVHVHOXPJIOL-WBVHZDCISA-N 2 1 321.509 2.535 20 0 DFADMP COc1ccc(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662295813 431039181 /nfs/dbraw/zinc/03/91/81/431039181.db2.gz VHYJJILWVHWSDS-GOSISDBHSA-N 2 1 302.462 2.949 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662312912 431042259 /nfs/dbraw/zinc/04/22/59/431042259.db2.gz AFXMEVPDYKVGPP-NVXWUHKLSA-N 2 1 309.498 2.617 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662313315 431043756 /nfs/dbraw/zinc/04/37/56/431043756.db2.gz KKLRQVZSXKMOEM-NVXWUHKLSA-N 2 1 303.450 2.855 20 0 DFADMP Cc1ccc2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cn2c1 ZINC000662313284 431044387 /nfs/dbraw/zinc/04/43/87/431044387.db2.gz JOIUPXMGDXBEGD-NVXWUHKLSA-N 2 1 300.450 2.982 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313355 431044752 /nfs/dbraw/zinc/04/47/52/431044752.db2.gz LAFLMMPSZPVKAL-YLFCFFPRSA-N 2 1 309.498 2.521 20 0 DFADMP COc1cccc([C@@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662319176 431047590 /nfs/dbraw/zinc/04/75/90/431047590.db2.gz GCTXSOSQFBLZOG-QAPCUYQASA-N 2 1 306.450 2.799 20 0 DFADMP COc1cccc([C@@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662319176 431047593 /nfs/dbraw/zinc/04/75/93/431047593.db2.gz GCTXSOSQFBLZOG-QAPCUYQASA-N 2 1 306.450 2.799 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662322284 431047659 /nfs/dbraw/zinc/04/76/59/431047659.db2.gz GSDIZAGMIYTXBD-IBGZPJMESA-N 2 1 304.478 2.834 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000662322123 431047685 /nfs/dbraw/zinc/04/76/85/431047685.db2.gz UJVYOIDJBLPRRX-SFHVURJKSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000662322123 431047692 /nfs/dbraw/zinc/04/76/92/431047692.db2.gz UJVYOIDJBLPRRX-SFHVURJKSA-N 2 1 313.445 2.777 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@](C)(C(F)F)O1 ZINC000662334993 431050529 /nfs/dbraw/zinc/05/05/29/431050529.db2.gz FWWHINQJKLFIHK-SJKOYZFVSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@](C)(C(F)F)O1 ZINC000662334993 431050534 /nfs/dbraw/zinc/05/05/34/431050534.db2.gz FWWHINQJKLFIHK-SJKOYZFVSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662352423 431055603 /nfs/dbraw/zinc/05/56/03/431055603.db2.gz VBRHFPCARVOMLH-QAPCUYQASA-N 2 1 315.461 2.602 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000649293358 431057015 /nfs/dbraw/zinc/05/70/15/431057015.db2.gz OFVZOGGUMXFXJK-WWGRRREGSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000649293358 431057020 /nfs/dbraw/zinc/05/70/20/431057020.db2.gz OFVZOGGUMXFXJK-WWGRRREGSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000649310917 431062150 /nfs/dbraw/zinc/06/21/50/431062150.db2.gz NLDJHAYSCSGLLV-SQNIBIBYSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000649308948 431062195 /nfs/dbraw/zinc/06/21/95/431062195.db2.gz JJIBJVNGBVRRPK-AWEZNQCLSA-N 2 1 323.506 2.594 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000662389729 431068332 /nfs/dbraw/zinc/06/83/32/431068332.db2.gz XMIPIJRTBIPMRY-INIZCTEOSA-N 2 1 314.433 2.991 20 0 DFADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248497 431013482 /nfs/dbraw/zinc/01/34/82/431013482.db2.gz DGUGUUDIMMSWBB-ROUUACIJSA-N 2 1 316.445 2.743 20 0 DFADMP C[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000659291472 431013758 /nfs/dbraw/zinc/01/37/58/431013758.db2.gz GUEXDCUJDVMHGN-RVKKMQEKSA-N 2 1 315.461 2.600 20 0 DFADMP C[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000659291469 431014470 /nfs/dbraw/zinc/01/44/70/431014470.db2.gz GUEXDCUJDVMHGN-RKVPGOIHSA-N 2 1 315.461 2.600 20 0 DFADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251493 431014698 /nfs/dbraw/zinc/01/46/98/431014698.db2.gz FRAXMPMMXZUYTK-SFHVURJKSA-N 2 1 302.462 2.708 20 0 DFADMP c1ccc(C[N@@H+](CC2CCC2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254910 431015389 /nfs/dbraw/zinc/01/53/89/431015389.db2.gz UXKWJMBMEBJWQQ-GOSISDBHSA-N 2 1 300.446 2.810 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)C12CCCCC2 ZINC000662255707 431016156 /nfs/dbraw/zinc/01/61/56/431016156.db2.gz DPZQMHRLBWTBNX-BRWVUGGUSA-N 2 1 322.493 2.567 20 0 DFADMP c1ccc(CC[C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251107 431017335 /nfs/dbraw/zinc/01/73/35/431017335.db2.gz YWUUMXVSCNPRPH-QZTJIDSGSA-N 2 1 300.446 2.605 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258103 431019082 /nfs/dbraw/zinc/01/90/82/431019082.db2.gz SCGYBKRWJNMUNQ-MSOLQXFVSA-N 2 1 300.446 2.523 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257931 431019128 /nfs/dbraw/zinc/01/91/28/431019128.db2.gz RILADUXQLAKZOA-ZWKOTPCHSA-N 2 1 300.446 2.523 20 0 DFADMP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655736452 431108695 /nfs/dbraw/zinc/10/86/95/431108695.db2.gz PPQOVJRAZSEGMW-CRAIPNDOSA-N 2 1 317.477 2.938 20 0 DFADMP CN1CCC[C@H]1C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000649478059 431113091 /nfs/dbraw/zinc/11/30/91/431113091.db2.gz QYERNTOSSKMTIE-SFHVURJKSA-N 2 1 321.896 2.942 20 0 DFADMP C[N@@H+]1CCC[C@H]1CN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000649478059 431113094 /nfs/dbraw/zinc/11/30/94/431113094.db2.gz QYERNTOSSKMTIE-SFHVURJKSA-N 2 1 321.896 2.942 20 0 DFADMP C[N@H+]1CCC[C@H]1CN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000649478059 431113100 /nfs/dbraw/zinc/11/31/00/431113100.db2.gz QYERNTOSSKMTIE-SFHVURJKSA-N 2 1 321.896 2.942 20 0 DFADMP C[NH+]1CCC[C@H]1CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000649478059 431113107 /nfs/dbraw/zinc/11/31/07/431113107.db2.gz QYERNTOSSKMTIE-SFHVURJKSA-N 2 1 321.896 2.942 20 0 DFADMP C[NH+]1CCC[C@H]1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000649478059 431113109 /nfs/dbraw/zinc/11/31/09/431113109.db2.gz QYERNTOSSKMTIE-SFHVURJKSA-N 2 1 321.896 2.942 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CS1 ZINC000655750985 431113848 /nfs/dbraw/zinc/11/38/48/431113848.db2.gz ILEPVSCJTNOKLH-OLMNPRSZSA-N 2 1 320.502 2.627 20 0 DFADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@@H]1CCCCO1 ZINC000655755120 431115834 /nfs/dbraw/zinc/11/58/34/431115834.db2.gz PLFBJSLGAGLIHL-ROUUACIJSA-N 2 1 310.482 2.569 20 0 DFADMP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655758767 431118937 /nfs/dbraw/zinc/11/89/37/431118937.db2.gz ZTIYZCDAZPPQGU-PKOBYXMFSA-N 2 1 324.509 2.551 20 0 DFADMP Clc1cccc2c1C[C@@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000666117705 431120373 /nfs/dbraw/zinc/12/03/73/431120373.db2.gz LWIZEHLXXZOVGP-UONOGXRCSA-N 2 1 301.821 2.998 20 0 DFADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655756742 431120842 /nfs/dbraw/zinc/12/08/42/431120842.db2.gz XFGQOMDJYAZWRW-QRVBRYPASA-N 2 1 324.509 2.813 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000645942236 431121494 /nfs/dbraw/zinc/12/14/94/431121494.db2.gz ZVBZYRRCZNEBBK-SJORKVTESA-N 2 1 318.465 2.653 20 0 DFADMP Clc1cccc2c1C[C@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000666117704 431121798 /nfs/dbraw/zinc/12/17/98/431121798.db2.gz LWIZEHLXXZOVGP-KGLIPLIRSA-N 2 1 301.821 2.998 20 0 DFADMP CCO[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655761975 431122811 /nfs/dbraw/zinc/12/28/11/431122811.db2.gz SNPLJDXMMQOENP-MOPGFXCFSA-N 2 1 318.461 2.607 20 0 DFADMP CC1(C)CC([NH2+]C2CCN(C[C@@H]3CCCO3)CC2)CC(C)(C)[NH2+]1 ZINC000655683187 431080990 /nfs/dbraw/zinc/08/09/90/431080990.db2.gz PHLYSVWKPOTVSY-KRWDZBQOSA-N 2 1 323.525 2.529 20 0 DFADMP CC(C)[C@@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649378494 431081396 /nfs/dbraw/zinc/08/13/96/431081396.db2.gz AGEWSGUWOLRADC-AEFFLSMTSA-N 2 1 323.525 2.863 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662448859 431083918 /nfs/dbraw/zinc/08/39/18/431083918.db2.gz QSVQGTFWTAFFCT-SJLPKXTDSA-N 2 1 324.428 2.590 20 0 DFADMP Cc1cc(C)n([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649413131 431093245 /nfs/dbraw/zinc/09/32/45/431093245.db2.gz MTRMDMUQJWBVJO-SFHVURJKSA-N 2 1 304.482 2.917 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000649411724 431093350 /nfs/dbraw/zinc/09/33/50/431093350.db2.gz ZHBFLMFZHIJING-LPHOPBHVSA-N 2 1 311.429 2.970 20 0 DFADMP CCCN(C[C@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649411912 431094600 /nfs/dbraw/zinc/09/46/00/431094600.db2.gz TVEYAQWXLWDVJN-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649411912 431094605 /nfs/dbraw/zinc/09/46/05/431094605.db2.gz TVEYAQWXLWDVJN-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649411912 431094609 /nfs/dbraw/zinc/09/46/09/431094609.db2.gz TVEYAQWXLWDVJN-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP CCc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655716612 431095503 /nfs/dbraw/zinc/09/55/03/431095503.db2.gz ZHKQOHOEEFWFGC-IBGZPJMESA-N 2 1 302.462 2.982 20 0 DFADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417797 431095897 /nfs/dbraw/zinc/09/58/97/431095897.db2.gz HFRDUCQBQDCMLA-IAGOWNOFSA-N 2 1 312.461 2.854 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662502198 431098429 /nfs/dbraw/zinc/09/84/29/431098429.db2.gz JQHISQILVNJGRO-SZMVWBNQSA-N 2 1 317.477 2.668 20 0 DFADMP CCO[C@@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000655718742 431099372 /nfs/dbraw/zinc/09/93/72/431099372.db2.gz LXZYDHHHWXVATR-MOPGFXCFSA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccnc1 ZINC000655722083 431099643 /nfs/dbraw/zinc/09/96/43/431099643.db2.gz WLBUDRWXNORHFE-OALUTQOASA-N 2 1 317.477 2.664 20 0 DFADMP C(COC1CCCCCC1)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655725848 431100811 /nfs/dbraw/zinc/10/08/11/431100811.db2.gz MZTHLRJOBFVTST-KRWDZBQOSA-N 2 1 310.482 2.569 20 0 DFADMP Fc1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1F ZINC000655727821 431103382 /nfs/dbraw/zinc/10/33/82/431103382.db2.gz QPDXXYNYTCORMB-INIZCTEOSA-N 2 1 324.415 2.740 20 0 DFADMP CCCC(O)(CCC)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655728479 431103528 /nfs/dbraw/zinc/10/35/28/431103528.db2.gz VKAZXKLLTWOTRR-KRWDZBQOSA-N 2 1 312.498 2.551 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1CCn2ccnc2C1)c1ccccc1 ZINC000645892686 431105772 /nfs/dbraw/zinc/10/57/72/431105772.db2.gz GPNARSCMBIGZNE-KRWDZBQOSA-N 2 1 312.461 2.904 20 0 DFADMP CN(CCC[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000645892686 431105776 /nfs/dbraw/zinc/10/57/76/431105776.db2.gz GPNARSCMBIGZNE-KRWDZBQOSA-N 2 1 312.461 2.904 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1)c1ccccc1 ZINC000645892686 431105777 /nfs/dbraw/zinc/10/57/77/431105777.db2.gz GPNARSCMBIGZNE-KRWDZBQOSA-N 2 1 312.461 2.904 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000655732968 431106064 /nfs/dbraw/zinc/10/60/64/431106064.db2.gz GZDIHZLPWTYTAP-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000655732968 431106068 /nfs/dbraw/zinc/10/60/68/431106068.db2.gz GZDIHZLPWTYTAP-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)OC ZINC000655734414 431106515 /nfs/dbraw/zinc/10/65/15/431106515.db2.gz HSYXXIYIYMEXQD-QZTJIDSGSA-N 2 1 312.498 2.671 20 0 DFADMP C=Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655769211 431129582 /nfs/dbraw/zinc/12/95/82/431129582.db2.gz FLIJTPXBVVWYCH-LJQANCHMSA-N 2 1 300.446 2.715 20 0 DFADMP Cc1cccnc1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772786 431130417 /nfs/dbraw/zinc/13/04/17/431130417.db2.gz QSNABLUWQXHJID-SFHVURJKSA-N 2 1 317.477 2.556 20 0 DFADMP CSc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655764884 431126875 /nfs/dbraw/zinc/12/68/75/431126875.db2.gz UGCHYNLHDQPYEZ-KRWDZBQOSA-N 2 1 320.502 2.794 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000272569487 279045124 /nfs/dbraw/zinc/04/51/24/279045124.db2.gz VPEUZVCFFQBSDV-KRWDZBQOSA-N 2 1 317.477 2.528 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649506623 431128407 /nfs/dbraw/zinc/12/84/07/431128407.db2.gz SNLXBYUHOGKUBP-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](Cc1ccccc1)CC1CCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649506623 431128413 /nfs/dbraw/zinc/12/84/13/431128413.db2.gz SNLXBYUHOGKUBP-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](Cc1ccccc1)CC1CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000649506623 431128421 /nfs/dbraw/zinc/12/84/21/431128421.db2.gz SNLXBYUHOGKUBP-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP CN1CCC[C@@H]1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000649506623 431128429 /nfs/dbraw/zinc/12/84/29/431128429.db2.gz SNLXBYUHOGKUBP-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP CN1CCC[C@@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000649506623 431128436 /nfs/dbraw/zinc/12/84/36/431128436.db2.gz SNLXBYUHOGKUBP-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP CC[NH+](CC)CCCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000264953494 279092577 /nfs/dbraw/zinc/09/25/77/279092577.db2.gz YJZBOSPHANOFCU-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000298036750 279179238 /nfs/dbraw/zinc/17/92/38/279179238.db2.gz GVAKSYZSRUWWTA-KRWDZBQOSA-N 2 1 319.493 2.685 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000298036750 279179239 /nfs/dbraw/zinc/17/92/39/279179239.db2.gz GVAKSYZSRUWWTA-KRWDZBQOSA-N 2 1 319.493 2.685 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000293244414 279262562 /nfs/dbraw/zinc/26/25/62/279262562.db2.gz FJVBSRPYYLPPDQ-CQSZACIVSA-N 2 1 303.450 2.523 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361527789 279273575 /nfs/dbraw/zinc/27/35/75/279273575.db2.gz SXNDEHUGSYKCEX-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361527789 279273576 /nfs/dbraw/zinc/27/35/76/279273576.db2.gz SXNDEHUGSYKCEX-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361527789 279273577 /nfs/dbraw/zinc/27/35/77/279273577.db2.gz SXNDEHUGSYKCEX-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)on1 ZINC000659839105 431139378 /nfs/dbraw/zinc/13/93/78/431139378.db2.gz RUKWKMDLGRQXIC-UHFFFAOYSA-N 2 1 307.438 2.771 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361495209 279300397 /nfs/dbraw/zinc/30/03/97/279300397.db2.gz CQJMQSMBDGESGJ-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361495209 279300399 /nfs/dbraw/zinc/30/03/99/279300399.db2.gz CQJMQSMBDGESGJ-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361495209 279300401 /nfs/dbraw/zinc/30/04/01/279300401.db2.gz CQJMQSMBDGESGJ-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000261795001 279384078 /nfs/dbraw/zinc/38/40/78/279384078.db2.gz DJMUUGWCZZXARX-MRXNPFEDSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000261794992 279384119 /nfs/dbraw/zinc/38/41/19/279384119.db2.gz DJMUUGWCZZXARX-INIZCTEOSA-N 2 1 317.477 2.533 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+](CCO)CC2)ccc1C(F)(F)F ZINC000666262698 431169497 /nfs/dbraw/zinc/16/94/97/431169497.db2.gz YZZDHFJDSQGFSS-UHFFFAOYSA-N 2 1 316.367 2.560 20 0 DFADMP C[C@@H]1CN(C[C@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000649571958 431169683 /nfs/dbraw/zinc/16/96/83/431169683.db2.gz DTJFTSIRIXJBFX-ZIFCJYIRSA-N 2 1 301.478 2.675 20 0 DFADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000649571958 431169690 /nfs/dbraw/zinc/16/96/90/431169690.db2.gz DTJFTSIRIXJBFX-ZIFCJYIRSA-N 2 1 301.478 2.675 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000646071431 431170222 /nfs/dbraw/zinc/17/02/22/431170222.db2.gz HQBHNMSNWYXUNT-CKEIUWERSA-N 2 1 323.506 2.621 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646082637 431176161 /nfs/dbraw/zinc/17/61/61/431176161.db2.gz AOQRUEGVNXJLDO-GOSISDBHSA-N 2 1 311.429 2.622 20 0 DFADMP CC(C)Oc1ccnc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000649590290 431179715 /nfs/dbraw/zinc/17/97/15/431179715.db2.gz SKGCBBYLKHRGAL-OAHLLOKOSA-N 2 1 314.433 2.760 20 0 DFADMP CC(C)Oc1ccnc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000649590290 431179723 /nfs/dbraw/zinc/17/97/23/431179723.db2.gz SKGCBBYLKHRGAL-OAHLLOKOSA-N 2 1 314.433 2.760 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000655851598 431185968 /nfs/dbraw/zinc/18/59/68/431185968.db2.gz ZIBPASFQNQGMCM-ORQFMDKSSA-N 2 1 316.445 2.981 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCCOC3)C2)s1 ZINC000649603488 431190290 /nfs/dbraw/zinc/19/02/90/431190290.db2.gz OWANMJRLQYUEQF-JKSUJKDBSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCCOC3)C2)s1 ZINC000649603488 431190295 /nfs/dbraw/zinc/19/02/95/431190295.db2.gz OWANMJRLQYUEQF-JKSUJKDBSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCCOC3)C2)s1 ZINC000649603488 431190301 /nfs/dbraw/zinc/19/03/01/431190301.db2.gz OWANMJRLQYUEQF-JKSUJKDBSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCCOC3)C2)s1 ZINC000649603488 431190305 /nfs/dbraw/zinc/19/03/05/431190305.db2.gz OWANMJRLQYUEQF-JKSUJKDBSA-N 2 1 308.491 2.989 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2C[C@H]3C[C@H]3C2)CC1 ZINC000659864454 431155827 /nfs/dbraw/zinc/15/58/27/431155827.db2.gz LGWXHDIYHXOSGF-DQCOHUIHSA-N 2 1 305.510 2.523 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000646046039 431159369 /nfs/dbraw/zinc/15/93/69/431159369.db2.gz AKZZPWPNDGQBTM-AEFFLSMTSA-N 2 1 317.477 2.627 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC[NH+]1CCCCC1)c1ccccc1 ZINC000652989002 431216129 /nfs/dbraw/zinc/21/61/29/431216129.db2.gz RWSBHFDXVURGOH-SFHVURJKSA-N 2 1 317.477 2.624 20 0 DFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOCc2ccccc2)C1 ZINC000659978917 431221488 /nfs/dbraw/zinc/22/14/88/431221488.db2.gz QADRVXZPMXAXGH-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOCc2ccccc2)C1 ZINC000659978917 431221490 /nfs/dbraw/zinc/22/14/90/431221490.db2.gz QADRVXZPMXAXGH-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000659978917 431221494 /nfs/dbraw/zinc/22/14/94/431221494.db2.gz QADRVXZPMXAXGH-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000659978917 431221496 /nfs/dbraw/zinc/22/14/96/431221496.db2.gz QADRVXZPMXAXGH-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000646274611 431251437 /nfs/dbraw/zinc/25/14/37/431251437.db2.gz XRZWOQHPPSMFOO-DOTOQJQBSA-N 2 1 323.868 2.590 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000646274611 431251443 /nfs/dbraw/zinc/25/14/43/431251443.db2.gz XRZWOQHPPSMFOO-DOTOQJQBSA-N 2 1 323.868 2.590 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663005853 431253625 /nfs/dbraw/zinc/25/36/25/431253625.db2.gz YPEOAVWGOQCDEC-GOEBONIOSA-N 2 1 315.461 2.558 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)C1 ZINC000666614885 431298040 /nfs/dbraw/zinc/29/80/40/431298040.db2.gz QIGHMVJLDXKDGA-OAHLLOKOSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)C1 ZINC000666614885 431298048 /nfs/dbraw/zinc/29/80/48/431298048.db2.gz QIGHMVJLDXKDGA-OAHLLOKOSA-N 2 1 315.461 2.951 20 0 DFADMP Cc1ccccc1CN1CCC[N@H+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666619070 431299836 /nfs/dbraw/zinc/29/98/36/431299836.db2.gz UMVGHZXBOPZPNO-OALUTQOASA-N 2 1 315.505 2.891 20 0 DFADMP CC[N@@H+](CCCNC(=O)CC[C@@H]1CCC[NH2+]1)C1CCCCC1 ZINC000653201049 431306154 /nfs/dbraw/zinc/30/61/54/431306154.db2.gz YIWIETUDGYKDOT-INIZCTEOSA-N 2 1 309.498 2.680 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000653200888 431306442 /nfs/dbraw/zinc/30/64/42/431306442.db2.gz TTYCIMUJRTWMKL-HZPDHXFCSA-N 2 1 309.498 2.665 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1)C(C)C ZINC000653221143 431317624 /nfs/dbraw/zinc/31/76/24/431317624.db2.gz KAYHZTSCKIRGQR-UHFFFAOYSA-N 2 1 317.477 2.776 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660248523 431343156 /nfs/dbraw/zinc/34/31/56/431343156.db2.gz ICVIAKFXBGLQFE-IEBWSBKVSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660248523 431343165 /nfs/dbraw/zinc/34/31/65/431343165.db2.gz ICVIAKFXBGLQFE-IEBWSBKVSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660248523 431343170 /nfs/dbraw/zinc/34/31/70/431343170.db2.gz ICVIAKFXBGLQFE-IEBWSBKVSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660248523 431343177 /nfs/dbraw/zinc/34/31/77/431343177.db2.gz ICVIAKFXBGLQFE-IEBWSBKVSA-N 2 1 304.478 2.794 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000653279592 431349408 /nfs/dbraw/zinc/34/94/08/431349408.db2.gz RRSORJQKMJRWIA-UWWQBHOKSA-N 2 1 304.434 2.556 20 0 DFADMP C[C@H](O)C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000656280234 431352783 /nfs/dbraw/zinc/35/27/83/431352783.db2.gz XJKUSGYIILZPRY-INIZCTEOSA-N 2 1 318.461 2.506 20 0 DFADMP c1cc2c(cccc2C[N@H+]2CCC[C@H](N3CCOCC3)CC2)[nH]1 ZINC000656281403 431356941 /nfs/dbraw/zinc/35/69/41/431356941.db2.gz VZKYIBMPOANLIR-KRWDZBQOSA-N 2 1 313.445 2.855 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1F ZINC000656281402 431357101 /nfs/dbraw/zinc/35/71/01/431357101.db2.gz WTHXLUUEHJYPFK-INIZCTEOSA-N 2 1 322.424 2.521 20 0 DFADMP COc1cccc(CN2CCC[C@H]([NH+]3CCOCC3)CC2)c1F ZINC000656281402 431357110 /nfs/dbraw/zinc/35/71/10/431357110.db2.gz WTHXLUUEHJYPFK-INIZCTEOSA-N 2 1 322.424 2.521 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(C(=O)NC2CC2)cc1)C1CCCCC1 ZINC000666801079 431364552 /nfs/dbraw/zinc/36/45/52/431364552.db2.gz CHPIBZABROVSLT-SFHVURJKSA-N 2 1 315.461 2.576 20 0 DFADMP C[N@H+](Cc1cnc2ccccc2n1)C[C@@H]1CCn2ccnc2C1 ZINC000660421046 431421646 /nfs/dbraw/zinc/42/16/46/431421646.db2.gz XLKMCZGPFLWLAS-CQSZACIVSA-N 2 1 307.401 2.521 20 0 DFADMP C[N@H+](Cc1cnc2ccccc2n1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000660421046 431421657 /nfs/dbraw/zinc/42/16/57/431421657.db2.gz XLKMCZGPFLWLAS-CQSZACIVSA-N 2 1 307.401 2.521 20 0 DFADMP CO[C@H](C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000660419643 431422918 /nfs/dbraw/zinc/42/29/18/431422918.db2.gz KQAWBCHIQPKVFP-DOTOQJQBSA-N 2 1 305.466 2.973 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000660419643 431422922 /nfs/dbraw/zinc/42/29/22/431422922.db2.gz KQAWBCHIQPKVFP-DOTOQJQBSA-N 2 1 305.466 2.973 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C(F)F)n1 ZINC000663344130 431373547 /nfs/dbraw/zinc/37/35/47/431373547.db2.gz OQIDCQOUZLDAPW-ZDUSSCGKSA-N 2 1 312.408 2.569 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C(F)F)n1 ZINC000663344130 431373552 /nfs/dbraw/zinc/37/35/52/431373552.db2.gz OQIDCQOUZLDAPW-ZDUSSCGKSA-N 2 1 312.408 2.569 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663345043 431377874 /nfs/dbraw/zinc/37/78/74/431377874.db2.gz GBUIIJVIMWIBNY-GOSISDBHSA-N 2 1 316.493 2.749 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663345043 431377880 /nfs/dbraw/zinc/37/78/80/431377880.db2.gz GBUIIJVIMWIBNY-GOSISDBHSA-N 2 1 316.493 2.749 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@H]2CCOC2)cc1 ZINC000656407935 431378709 /nfs/dbraw/zinc/37/87/09/431378709.db2.gz VCXJUPNYOCRUJT-KNJMJIDISA-N 2 1 312.457 2.618 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2[C@H]2CCOC2)cc1 ZINC000656407935 431378717 /nfs/dbraw/zinc/37/87/17/431378717.db2.gz VCXJUPNYOCRUJT-KNJMJIDISA-N 2 1 312.457 2.618 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2[C@H]2CCOC2)cc1 ZINC000656407935 431378719 /nfs/dbraw/zinc/37/87/19/431378719.db2.gz VCXJUPNYOCRUJT-KNJMJIDISA-N 2 1 312.457 2.618 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cnc(C4CC4)nc3)C2)c1 ZINC000656430732 431379647 /nfs/dbraw/zinc/37/96/47/431379647.db2.gz SXJUJWFOHRWYIG-OAHLLOKOSA-N 2 1 323.444 2.991 20 0 DFADMP CC(CC[NH+]1CCCOC[C@@H]1C)CC[N@H+]1CCCOC[C@@H]1C ZINC000663362065 431385296 /nfs/dbraw/zinc/38/52/96/431385296.db2.gz VBBREHWQGDEFEO-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858052 431387508 /nfs/dbraw/zinc/38/75/08/431387508.db2.gz VIRYHVRNQALPGN-GFCCVEGCSA-N 2 1 313.239 2.689 20 0 DFADMP c1n[nH]c2c1CCN(Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000663371662 431389241 /nfs/dbraw/zinc/38/92/41/431389241.db2.gz MMMDQBJCZTZROX-UHFFFAOYSA-N 2 1 310.445 2.954 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(NCC3CC[NH2+]CC3)n2)C1 ZINC000653472441 431391768 /nfs/dbraw/zinc/39/17/68/431391768.db2.gz QAGQXZGNEQDSRW-UHFFFAOYSA-N 2 1 303.454 2.515 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@H]3CCC[C@@H]3C[NH3+])n2)C1 ZINC000653472227 431392570 /nfs/dbraw/zinc/39/25/70/431392570.db2.gz JGXUKSNWIJVYMM-KGLIPLIRSA-N 2 1 303.454 2.642 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998520 431441310 /nfs/dbraw/zinc/44/13/10/431441310.db2.gz YUECIDOAQLJGEP-SFHVURJKSA-N 2 1 310.445 2.696 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000663497558 431443978 /nfs/dbraw/zinc/44/39/78/431443978.db2.gz HJZHVOWGWBUXEV-POZPTJLLSA-N 2 1 321.852 2.707 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000653607321 431456709 /nfs/dbraw/zinc/45/67/09/431456709.db2.gz ZHLACEQYKLBQPK-XJKSGUPXSA-N 2 1 300.393 2.564 20 0 DFADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3csc(C4CC4)n3)CC2)C1 ZINC000667054179 431462241 /nfs/dbraw/zinc/46/22/41/431462241.db2.gz SXIBMHOVKIPNCO-ZBFHGGJFSA-N 2 1 321.490 2.739 20 0 DFADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C[C@H]2C1 ZINC000663463651 431428331 /nfs/dbraw/zinc/42/83/31/431428331.db2.gz AQPBKDOSYUZHBZ-NTZUZEMLSA-N 2 1 306.494 2.902 20 0 DFADMP O[C@@H]1CCC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660436099 431428383 /nfs/dbraw/zinc/42/83/83/431428383.db2.gz PSSXMBBGOQHTCY-MAUKXSAKSA-N 2 1 317.477 2.950 20 0 DFADMP c1ccc(C2CC2)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000666978605 431432367 /nfs/dbraw/zinc/43/23/67/431432367.db2.gz YHTZLGRZZJADIF-UHFFFAOYSA-N 2 1 313.489 2.870 20 0 DFADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466044 431432702 /nfs/dbraw/zinc/43/27/02/431432702.db2.gz NIYAZKXSRCSADB-RBUKOAKNSA-N 2 1 324.509 2.530 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc(OC)c1 ZINC000656784325 431519213 /nfs/dbraw/zinc/51/92/13/431519213.db2.gz COFCIYYGUMCZBX-KRWDZBQOSA-N 2 1 318.461 2.915 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000660632483 431521573 /nfs/dbraw/zinc/52/15/73/431521573.db2.gz OORMIFJMQNMAKF-WBVHZDCISA-N 2 1 310.869 2.830 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788432 431524327 /nfs/dbraw/zinc/52/43/27/431524327.db2.gz PDOVAFQTZPNMAE-UHFFFAOYSA-N 2 1 316.424 2.989 20 0 DFADMP Brc1cc2c(s1)CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000656792704 431525333 /nfs/dbraw/zinc/52/53/33/431525333.db2.gz WGALYRLGITVRBM-UHFFFAOYSA-N 2 1 315.280 2.868 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000647248767 431527179 /nfs/dbraw/zinc/52/71/79/431527179.db2.gz BQRMRHRQAUTDKT-LBKNJMOBSA-N 2 1 313.489 2.547 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000647248767 431527183 /nfs/dbraw/zinc/52/71/83/431527183.db2.gz BQRMRHRQAUTDKT-LBKNJMOBSA-N 2 1 313.489 2.547 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000647248767 431527190 /nfs/dbraw/zinc/52/71/90/431527190.db2.gz BQRMRHRQAUTDKT-LBKNJMOBSA-N 2 1 313.489 2.547 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000660655519 431530997 /nfs/dbraw/zinc/53/09/97/431530997.db2.gz ORYVXUHYHICGBZ-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000660655519 431531001 /nfs/dbraw/zinc/53/10/01/431531001.db2.gz ORYVXUHYHICGBZ-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000660655519 431531007 /nfs/dbraw/zinc/53/10/07/431531007.db2.gz ORYVXUHYHICGBZ-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC000656694793 431481704 /nfs/dbraw/zinc/48/17/04/431481704.db2.gz VDLVFDKDPYZHMB-AEFFLSMTSA-N 2 1 308.466 2.683 20 0 DFADMP COc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000656694793 431481710 /nfs/dbraw/zinc/48/17/10/431481710.db2.gz VDLVFDKDPYZHMB-AEFFLSMTSA-N 2 1 308.466 2.683 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000656695868 431482933 /nfs/dbraw/zinc/48/29/33/431482933.db2.gz SUWGSKPDBQTWRM-ZWKOTPCHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000656695868 431482938 /nfs/dbraw/zinc/48/29/38/431482938.db2.gz SUWGSKPDBQTWRM-ZWKOTPCHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000656695868 431482944 /nfs/dbraw/zinc/48/29/44/431482944.db2.gz SUWGSKPDBQTWRM-ZWKOTPCHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000656695868 431482949 /nfs/dbraw/zinc/48/29/49/431482949.db2.gz SUWGSKPDBQTWRM-ZWKOTPCHSA-N 2 1 308.441 2.534 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000653675911 431486909 /nfs/dbraw/zinc/48/69/09/431486909.db2.gz YCSPREUKIPUBNQ-UONOGXRCSA-N 2 1 304.409 2.942 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000653675911 431486919 /nfs/dbraw/zinc/48/69/19/431486919.db2.gz YCSPREUKIPUBNQ-UONOGXRCSA-N 2 1 304.409 2.942 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1 ZINC000656701536 431487300 /nfs/dbraw/zinc/48/73/00/431487300.db2.gz XCWPJXFHTGEXJX-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000656701536 431487307 /nfs/dbraw/zinc/48/73/07/431487307.db2.gz XCWPJXFHTGEXJX-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000656701536 431487312 /nfs/dbraw/zinc/48/73/12/431487312.db2.gz XCWPJXFHTGEXJX-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1cn(C)nc1-c1ccc(C)o1 ZINC000647166599 431489158 /nfs/dbraw/zinc/48/91/58/431489158.db2.gz XXKGMUMLWVZKQP-UHFFFAOYSA-N 2 1 304.438 2.810 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000647172458 431491637 /nfs/dbraw/zinc/49/16/37/431491637.db2.gz XOZGANHQVOBLTO-JKSUJKDBSA-N 2 1 314.433 2.705 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000647172458 431491645 /nfs/dbraw/zinc/49/16/45/431491645.db2.gz XOZGANHQVOBLTO-JKSUJKDBSA-N 2 1 314.433 2.705 20 0 DFADMP C[C@@H]1COCC[N@H+]1C1CCN(CCc2c(F)cccc2F)CC1 ZINC000653690217 431491845 /nfs/dbraw/zinc/49/18/45/431491845.db2.gz DCXFDAYZKICPAD-CQSZACIVSA-N 2 1 324.415 2.692 20 0 DFADMP O[C@@]1(C[NH2+]C2CCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000647185672 431498433 /nfs/dbraw/zinc/49/84/33/431498433.db2.gz NBOPXJKDKZNARF-QGZVFWFLSA-N 2 1 324.415 2.791 20 0 DFADMP O[C@@]1(C[NH2+]C2CCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000647185672 431498437 /nfs/dbraw/zinc/49/84/37/431498437.db2.gz NBOPXJKDKZNARF-QGZVFWFLSA-N 2 1 324.415 2.791 20 0 DFADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647182745 431499679 /nfs/dbraw/zinc/49/96/79/431499679.db2.gz QUHJIEFPSKJHNO-OALUTQOASA-N 2 1 314.473 2.934 20 0 DFADMP C[C@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647182745 431499687 /nfs/dbraw/zinc/49/96/87/431499687.db2.gz QUHJIEFPSKJHNO-OALUTQOASA-N 2 1 314.473 2.934 20 0 DFADMP FC(F)(F)Oc1cccc(CCN2CCn3cncc3C2)c1 ZINC000660582690 431505075 /nfs/dbraw/zinc/50/50/75/431505075.db2.gz WHOOEGLIRPYBCH-UHFFFAOYSA-N 2 1 311.307 2.840 20 0 DFADMP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647196476 431505673 /nfs/dbraw/zinc/50/56/73/431505673.db2.gz AFKVAZQAYRLFBS-MOPGFXCFSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647196476 431505677 /nfs/dbraw/zinc/50/56/77/431505677.db2.gz AFKVAZQAYRLFBS-MOPGFXCFSA-N 2 1 314.473 2.934 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344235 431558065 /nfs/dbraw/zinc/55/80/65/431558065.db2.gz MHFOWKJLGKPQSH-ICBNADEASA-N 2 1 314.473 2.735 20 0 DFADMP CC[N@H+]1CC[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343969 431559011 /nfs/dbraw/zinc/55/90/11/431559011.db2.gz GTFJNXSCJSSPBN-OJAHFUOMSA-N 2 1 315.505 2.652 20 0 DFADMP CC[NH+]1CC[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343969 431559017 /nfs/dbraw/zinc/55/90/17/431559017.db2.gz GTFJNXSCJSSPBN-OJAHFUOMSA-N 2 1 315.505 2.652 20 0 DFADMP CC[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343969 431559019 /nfs/dbraw/zinc/55/90/19/431559019.db2.gz GTFJNXSCJSSPBN-OJAHFUOMSA-N 2 1 315.505 2.652 20 0 DFADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344147 431559217 /nfs/dbraw/zinc/55/92/17/431559217.db2.gz KBJLKYWZOLXXGE-YCVVXREPSA-N 2 1 316.489 2.981 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344233 431560109 /nfs/dbraw/zinc/56/01/09/431560109.db2.gz MHFOWKJLGKPQSH-BCYZHJNNSA-N 2 1 314.473 2.735 20 0 DFADMP COC1CCC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000647344272 431560419 /nfs/dbraw/zinc/56/04/19/431560419.db2.gz NGHHYJFCNXYMNU-UGXKVIGPSA-N 2 1 302.462 2.879 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659623 431537266 /nfs/dbraw/zinc/53/72/66/431537266.db2.gz POAOEINVYSLWHN-LJQANCHMSA-N 2 1 315.461 2.741 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659623 431537273 /nfs/dbraw/zinc/53/72/73/431537273.db2.gz POAOEINVYSLWHN-LJQANCHMSA-N 2 1 315.461 2.741 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659623 431537280 /nfs/dbraw/zinc/53/72/80/431537280.db2.gz POAOEINVYSLWHN-LJQANCHMSA-N 2 1 315.461 2.741 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657763 431537342 /nfs/dbraw/zinc/53/73/42/431537342.db2.gz AFOLUUOZUYICAN-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657763 431537350 /nfs/dbraw/zinc/53/73/50/431537350.db2.gz AFOLUUOZUYICAN-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660657763 431537360 /nfs/dbraw/zinc/53/73/60/431537360.db2.gz AFOLUUOZUYICAN-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647297804 431541319 /nfs/dbraw/zinc/54/13/19/431541319.db2.gz GLQWFOWXYGIQSS-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@](C)(CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647297804 431541326 /nfs/dbraw/zinc/54/13/26/431541326.db2.gz GLQWFOWXYGIQSS-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccncc1 ZINC000647302530 431545031 /nfs/dbraw/zinc/54/50/31/431545031.db2.gz DJWYSEYXNRPPRD-GOSISDBHSA-N 2 1 318.509 2.784 20 0 DFADMP Cc1cccc2c1CC(C)(C)[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2 ZINC000660672065 431545406 /nfs/dbraw/zinc/54/54/06/431545406.db2.gz SKNKMYRLRFIWRF-QGZVFWFLSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1cccc2c1CC(C)(C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2 ZINC000660672065 431545412 /nfs/dbraw/zinc/54/54/12/431545412.db2.gz SKNKMYRLRFIWRF-QGZVFWFLSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1cccc2c1CC(C)(C)[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2 ZINC000660672065 431545416 /nfs/dbraw/zinc/54/54/16/431545416.db2.gz SKNKMYRLRFIWRF-QGZVFWFLSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1cccc2c1CC(C)(C)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2 ZINC000660672065 431545420 /nfs/dbraw/zinc/54/54/20/431545420.db2.gz SKNKMYRLRFIWRF-QGZVFWFLSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1cc(CO)cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000663806470 431549847 /nfs/dbraw/zinc/54/98/47/431549847.db2.gz ZTSGLIOXMMTRDR-KSSFIOAISA-N 2 1 311.429 2.815 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000660695708 431553348 /nfs/dbraw/zinc/55/33/48/431553348.db2.gz KWIKKKRXJRPFAQ-HNNXBMFYSA-N 2 1 318.452 2.884 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000290478852 280010116 /nfs/dbraw/zinc/01/01/16/280010116.db2.gz XHZOJTKNXGSNGP-YJBOKZPZSA-N 2 1 301.478 2.851 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000177660131 288195717 /nfs/dbraw/zinc/19/57/17/288195717.db2.gz JNARHDWAKCZWKI-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000360217535 288197296 /nfs/dbraw/zinc/19/72/96/288197296.db2.gz GPVKWAYMGNHPRH-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCCO2 ZINC000268826768 280407765 /nfs/dbraw/zinc/40/77/65/280407765.db2.gz JLKHAXOLACOLLG-AEFFLSMTSA-N 2 1 318.461 2.563 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000647479747 431600993 /nfs/dbraw/zinc/60/09/93/431600993.db2.gz RRERCJADIZCFOB-HOCLYGCPSA-N 2 1 314.433 2.942 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000647479747 431600996 /nfs/dbraw/zinc/60/09/96/431600996.db2.gz RRERCJADIZCFOB-HOCLYGCPSA-N 2 1 314.433 2.942 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480328 431602549 /nfs/dbraw/zinc/60/25/49/431602549.db2.gz JSCVOYCOMGDSPN-ZWKOTPCHSA-N 2 1 314.477 2.646 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480328 431602556 /nfs/dbraw/zinc/60/25/56/431602556.db2.gz JSCVOYCOMGDSPN-ZWKOTPCHSA-N 2 1 314.477 2.646 20 0 DFADMP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650706574 431653109 /nfs/dbraw/zinc/65/31/09/431653109.db2.gz NPSPGDQCNXJTRW-DZKIICNBSA-N 2 1 323.506 2.985 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1F ZINC000650707083 431653935 /nfs/dbraw/zinc/65/39/35/431653935.db2.gz YDBQHQPLNPAWRU-XYJFISCASA-N 2 1 306.425 2.852 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706668 431655162 /nfs/dbraw/zinc/65/51/62/431655162.db2.gz PYLWVXGCRBWWFC-QILLFSRXSA-N 2 1 306.425 2.852 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](C)[C@H]3CC[NH3+])cnc21 ZINC000650710977 431656867 /nfs/dbraw/zinc/65/68/67/431656867.db2.gz DWOPDHQEHVIEHM-RHSMWYFYSA-N 2 1 315.465 2.962 20 0 DFADMP COc1nc2ccccc2cc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709343 431658124 /nfs/dbraw/zinc/65/81/24/431658124.db2.gz TUCDJDNXIXFERE-LPHOPBHVSA-N 2 1 311.429 2.804 20 0 DFADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709343 431658131 /nfs/dbraw/zinc/65/81/31/431658131.db2.gz TUCDJDNXIXFERE-LPHOPBHVSA-N 2 1 311.429 2.804 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cn1 ZINC000650712057 431659289 /nfs/dbraw/zinc/65/92/89/431659289.db2.gz PCGWHCSVJRFKPU-RDJZCZTQSA-N 2 1 304.482 2.876 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000650713435 431659897 /nfs/dbraw/zinc/65/98/97/431659897.db2.gz SLGJSAPPQBMTKF-FUHWJXTLSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000650713435 431659900 /nfs/dbraw/zinc/65/99/00/431659900.db2.gz SLGJSAPPQBMTKF-FUHWJXTLSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@H]1CC[NH3+] ZINC000650711840 431660192 /nfs/dbraw/zinc/66/01/92/431660192.db2.gz FZHOYABNYJEUIH-JSGCOSHPSA-N 2 1 319.474 2.549 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498281 431607423 /nfs/dbraw/zinc/60/74/23/431607423.db2.gz DMWWTGKXOBVUKZ-HUUCEWRRSA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498281 431607427 /nfs/dbraw/zinc/60/74/27/431607427.db2.gz DMWWTGKXOBVUKZ-HUUCEWRRSA-N 2 1 322.449 2.662 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)CC[C@H]1[NH3+] ZINC000647497455 431607760 /nfs/dbraw/zinc/60/77/60/431607760.db2.gz IKMLDZBLJZSOLM-KBXCAEBGSA-N 2 1 316.424 2.879 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)CC[C@H]1[NH3+] ZINC000647497455 431607766 /nfs/dbraw/zinc/60/77/66/431607766.db2.gz IKMLDZBLJZSOLM-KBXCAEBGSA-N 2 1 316.424 2.879 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cccc(OCCCOC)c2)CC[C@@H]1[NH3+] ZINC000647498851 431609248 /nfs/dbraw/zinc/60/92/48/431609248.db2.gz RYFLDMXXMMFVHP-WMZOPIPTSA-N 2 1 306.450 2.661 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000647498705 431609360 /nfs/dbraw/zinc/60/93/60/431609360.db2.gz NUMPPVUFXBOQBX-JSGCOSHPSA-N 2 1 304.463 2.708 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000647498705 431609366 /nfs/dbraw/zinc/60/93/66/431609366.db2.gz NUMPPVUFXBOQBX-JSGCOSHPSA-N 2 1 304.463 2.708 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647515401 431612692 /nfs/dbraw/zinc/61/26/92/431612692.db2.gz CFLFVAZPPNCMBV-UHFFFAOYSA-N 2 1 324.472 2.838 20 0 DFADMP CC[N@@H+](Cc1ccc(N)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647517788 431614858 /nfs/dbraw/zinc/61/48/58/431614858.db2.gz DEHUNKXWBBARGD-IBGZPJMESA-N 2 1 324.472 2.838 20 0 DFADMP CC[N@H+](Cc1ccc(N)nc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647517788 431614863 /nfs/dbraw/zinc/61/48/63/431614863.db2.gz DEHUNKXWBBARGD-IBGZPJMESA-N 2 1 324.472 2.838 20 0 DFADMP CC[NH+](Cc1ccc(N)nc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647517788 431614865 /nfs/dbraw/zinc/61/48/65/431614865.db2.gz DEHUNKXWBBARGD-IBGZPJMESA-N 2 1 324.472 2.838 20 0 DFADMP CC[NH+](Cc1ccc(N)nc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647517788 431614872 /nfs/dbraw/zinc/61/48/72/431614872.db2.gz DEHUNKXWBBARGD-IBGZPJMESA-N 2 1 324.472 2.838 20 0 DFADMP CCOc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OC(F)F ZINC000647531396 431616813 /nfs/dbraw/zinc/61/68/13/431616813.db2.gz SYYOPBLXHOIJEQ-UHFFFAOYSA-N 2 1 314.376 3.000 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000647531325 431617509 /nfs/dbraw/zinc/61/75/09/431617509.db2.gz OTLNGCKMDOHECU-UHFFFAOYSA-N 2 1 302.340 2.941 20 0 DFADMP C[NH2+]C[C@@H]1C[C@H](F)CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000647539925 431621351 /nfs/dbraw/zinc/62/13/51/431621351.db2.gz NNTOOPLSSIZKCW-ROUUACIJSA-N 2 1 321.484 2.776 20 0 DFADMP [NH3+]CCC[N@H+](Cc1ccccc1-n1cncn1)CC1CCCC1 ZINC000647541402 431621396 /nfs/dbraw/zinc/62/13/96/431621396.db2.gz UBHZKTSLMNTHNT-UHFFFAOYSA-N 2 1 313.449 2.608 20 0 DFADMP COCc1cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647544229 431624014 /nfs/dbraw/zinc/62/40/14/431624014.db2.gz YKKGMRYTXAMPEC-KBPBESRZSA-N 2 1 309.479 2.501 20 0 DFADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542943 431624067 /nfs/dbraw/zinc/62/40/67/431624067.db2.gz FAVXDTGZRLBEBL-HUUCEWRRSA-N 2 1 302.418 2.627 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543421 431624904 /nfs/dbraw/zinc/62/49/04/431624904.db2.gz NDZHTBXXEZKQLQ-CVEARBPZSA-N 2 1 303.450 2.692 20 0 DFADMP Cc1cccn2c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543408 431625495 /nfs/dbraw/zinc/62/54/95/431625495.db2.gz MUOPTNOKKDEAHL-SJORKVTESA-N 2 1 312.461 2.854 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543308 431625796 /nfs/dbraw/zinc/62/57/96/431625796.db2.gz KXFWDWZRHBMNQK-JKSUJKDBSA-N 2 1 318.461 2.915 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543314 431625893 /nfs/dbraw/zinc/62/58/93/431625893.db2.gz KXMJTOTVCOIHPM-QZTJIDSGSA-N 2 1 316.493 2.749 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000647549496 431628088 /nfs/dbraw/zinc/62/80/88/431628088.db2.gz DGVYQOZBTPXYEI-WCQYABFASA-N 2 1 302.340 2.715 20 0 DFADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000647550135 431628593 /nfs/dbraw/zinc/62/85/93/431628593.db2.gz BLGQXNRECWNRCI-UKRRQHHQSA-N 2 1 316.474 2.725 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000657308468 431665072 /nfs/dbraw/zinc/66/50/72/431665072.db2.gz ZRQSEFGLEIGFNT-NVXWUHKLSA-N 2 1 318.461 2.674 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2F)C1 ZINC000650723432 431666004 /nfs/dbraw/zinc/66/60/04/431666004.db2.gz NPHJQHKWLPVSOQ-VNQPRFMTSA-N 2 1 310.388 2.826 20 0 DFADMP C([NH+]1C[C@@H]2CCCC[C@@H]21)C1(C[N@H+]2C[C@@H]3CCCC[C@@H]32)COC1 ZINC000660933374 431668722 /nfs/dbraw/zinc/66/87/22/431668722.db2.gz PVFCXFXBRGGDKV-XSLAGTTESA-N 2 1 304.478 2.752 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657313883 431669157 /nfs/dbraw/zinc/66/91/57/431669157.db2.gz WQIBBFJLZPMKRH-GJZGRUSLSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657312998 431669279 /nfs/dbraw/zinc/66/92/79/431669279.db2.gz OTCWYXMAHXPZDI-HOTGVXAUSA-N 2 1 304.482 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657314824 431671539 /nfs/dbraw/zinc/67/15/39/431671539.db2.gz AZDRKGREBIHNID-RDJZCZTQSA-N 2 1 306.450 2.532 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744375 431674976 /nfs/dbraw/zinc/67/49/76/431674976.db2.gz MQUWYSHFEIFFAF-FUHWJXTLSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744375 431674979 /nfs/dbraw/zinc/67/49/79/431674979.db2.gz MQUWYSHFEIFFAF-FUHWJXTLSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647785829 431684767 /nfs/dbraw/zinc/68/47/67/431684767.db2.gz FOLVOBORKSCCOO-FLXSYLCISA-N 3 1 307.526 2.721 20 0 DFADMP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647785829 431684776 /nfs/dbraw/zinc/68/47/76/431684776.db2.gz FOLVOBORKSCCOO-FLXSYLCISA-N 2 1 307.526 2.721 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657346784 431689235 /nfs/dbraw/zinc/68/92/35/431689235.db2.gz ILYHJGFAMHPYIF-ZDUSSCGKSA-N 2 1 301.438 2.618 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814827 431696926 /nfs/dbraw/zinc/69/69/26/431696926.db2.gz HRSFXWBNWYJGSS-UHFFFAOYSA-N 2 1 304.434 2.681 20 0 DFADMP COc1cc(F)c([C@@H](C)[NH2+]Cc2cnc3n2CCC3)cc1OC ZINC000657361237 431699739 /nfs/dbraw/zinc/69/97/39/431699739.db2.gz IWKZEHUBPSSIEE-LLVKDONJSA-N 2 1 319.380 2.836 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657359049 431701405 /nfs/dbraw/zinc/70/14/05/431701405.db2.gz QDZKCRWQDPELSE-MRXNPFEDSA-N 2 1 313.449 2.621 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CO1 ZINC000657373150 431707421 /nfs/dbraw/zinc/70/74/21/431707421.db2.gz VZPCTAWOFPPKAS-DLBZAZTESA-N 2 1 321.465 2.661 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CO1 ZINC000657373153 431708678 /nfs/dbraw/zinc/70/86/78/431708678.db2.gz VZPCTAWOFPPKAS-SJORKVTESA-N 2 1 321.465 2.661 20 0 DFADMP COc1cccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1OC ZINC000650718344 431663387 /nfs/dbraw/zinc/66/33/87/431663387.db2.gz ICDGCDOSNSLKGG-UHFFFAOYSA-N 2 1 304.365 2.591 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2F)C1 ZINC000650722353 431664109 /nfs/dbraw/zinc/66/41/09/431664109.db2.gz QESRZXQVTFPVIT-PVAVHDDUSA-N 2 1 310.388 2.826 20 0 DFADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccccc1Cl ZINC000647957058 431748365 /nfs/dbraw/zinc/74/83/65/431748365.db2.gz KCBNIDFQLNXGAB-QGZVFWFLSA-N 2 1 321.852 2.744 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964154 431754584 /nfs/dbraw/zinc/75/45/84/431754584.db2.gz VJCKSAOBOBXKNS-RBUKOAKNSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964154 431754591 /nfs/dbraw/zinc/75/45/91/431754591.db2.gz VJCKSAOBOBXKNS-RBUKOAKNSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964154 431754595 /nfs/dbraw/zinc/75/45/95/431754595.db2.gz VJCKSAOBOBXKNS-RBUKOAKNSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964154 431754602 /nfs/dbraw/zinc/75/46/02/431754602.db2.gz VJCKSAOBOBXKNS-RBUKOAKNSA-N 2 1 304.478 2.741 20 0 DFADMP Cc1ccc(C(C)(C)C[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647965017 431757309 /nfs/dbraw/zinc/75/73/09/431757309.db2.gz BXMPIJGSYMACNH-GOSISDBHSA-N 2 1 306.494 2.906 20 0 DFADMP Cc1ccc(C(C)(C)C[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647965017 431757315 /nfs/dbraw/zinc/75/73/15/431757315.db2.gz BXMPIJGSYMACNH-GOSISDBHSA-N 2 1 306.494 2.906 20 0 DFADMP Cc1ccc(C(C)(C)C[N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647965017 431757320 /nfs/dbraw/zinc/75/73/20/431757320.db2.gz BXMPIJGSYMACNH-GOSISDBHSA-N 2 1 306.494 2.906 20 0 DFADMP Cc1ccc(C(C)(C)C[N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647965017 431757325 /nfs/dbraw/zinc/75/73/25/431757325.db2.gz BXMPIJGSYMACNH-GOSISDBHSA-N 2 1 306.494 2.906 20 0 DFADMP Cn1ncc(C2CC2)c1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452707 431760157 /nfs/dbraw/zinc/76/01/57/431760157.db2.gz IKTBHCYNJPHAFV-KRWDZBQOSA-N 2 1 324.472 2.909 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452707 431760171 /nfs/dbraw/zinc/76/01/71/431760171.db2.gz IKTBHCYNJPHAFV-KRWDZBQOSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976907 431761826 /nfs/dbraw/zinc/76/18/26/431761826.db2.gz VYDFFCFDQHXQQX-IKGGRYGDSA-N 2 1 321.509 2.535 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978266 431762251 /nfs/dbraw/zinc/76/22/51/431762251.db2.gz PBRLNOJYPOGPRK-ROUUACIJSA-N 2 1 315.461 2.857 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975505 431762556 /nfs/dbraw/zinc/76/25/56/431762556.db2.gz BEEIFODCEWNYPY-YUELXQCFSA-N 2 1 304.438 2.720 20 0 DFADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975189 431762986 /nfs/dbraw/zinc/76/29/86/431762986.db2.gz PCHPANYCNQDHKK-SJORKVTESA-N 2 1 315.461 2.645 20 0 DFADMP CC(C)[NH+](CCCNCc1ccnn1-c1ccncc1)C(C)C ZINC000657381467 431715268 /nfs/dbraw/zinc/71/52/68/431715268.db2.gz FDZGZLIGFWRWLW-UHFFFAOYSA-N 3 1 315.465 2.866 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899647 431720481 /nfs/dbraw/zinc/72/04/81/431720481.db2.gz RLKVYDVMXYJVHW-BSDSXHPESA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899647 431720485 /nfs/dbraw/zinc/72/04/85/431720485.db2.gz RLKVYDVMXYJVHW-BSDSXHPESA-N 2 1 321.509 2.630 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901737 431723412 /nfs/dbraw/zinc/72/34/12/431723412.db2.gz UOUBRQMOKABDBB-LPHOPBHVSA-N 2 1 318.461 2.928 20 0 DFADMP CCCn1nccc1CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000657499385 431788739 /nfs/dbraw/zinc/78/87/39/431788739.db2.gz DLWROSZGECSOOA-MJGOQNOKSA-N 2 1 312.461 2.728 20 0 DFADMP CCCn1nccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000657499385 431788756 /nfs/dbraw/zinc/78/87/56/431788756.db2.gz DLWROSZGECSOOA-MJGOQNOKSA-N 2 1 312.461 2.728 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000648028966 431789158 /nfs/dbraw/zinc/78/91/58/431789158.db2.gz OEFHWKHTSGIPGB-INIZCTEOSA-N 2 1 316.449 2.905 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H]([NH+](C)C)CC2)o1 ZINC000648028966 431789162 /nfs/dbraw/zinc/78/91/62/431789162.db2.gz OEFHWKHTSGIPGB-INIZCTEOSA-N 2 1 316.449 2.905 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@@H]2C2CCC2)cc1 ZINC000648067288 431806392 /nfs/dbraw/zinc/80/63/92/431806392.db2.gz XSGZNLNOBZAZHS-LJQANCHMSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(C3CC3)c1)CCO2 ZINC000648072206 431808223 /nfs/dbraw/zinc/80/82/23/431808223.db2.gz QZXOZMYSFVCZGA-UHFFFAOYSA-N 2 1 300.446 2.861 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071841 431808964 /nfs/dbraw/zinc/80/89/64/431808964.db2.gz WYTFAYABUDTOEX-ZBFHGGJFSA-N 2 1 304.434 2.700 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071841 431808968 /nfs/dbraw/zinc/80/89/68/431808968.db2.gz WYTFAYABUDTOEX-ZBFHGGJFSA-N 2 1 304.434 2.700 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000648071508 431809123 /nfs/dbraw/zinc/80/91/23/431809123.db2.gz GAMMCRJMNDHIQQ-UHFFFAOYSA-N 2 1 302.462 2.908 20 0 DFADMP C[C@H](CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648072218 431809379 /nfs/dbraw/zinc/80/93/79/431809379.db2.gz RMGPTQHCUUEOGP-QGZVFWFLSA-N 2 1 302.462 2.977 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C\c1ccc(F)cc1)CCO2 ZINC000648071454 431809507 /nfs/dbraw/zinc/80/95/07/431809507.db2.gz COWSRUVHRJVKLJ-IHWYPQMZSA-N 2 1 304.409 2.636 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C\c1ccc(F)cc1)CCO2 ZINC000648071454 431809510 /nfs/dbraw/zinc/80/95/10/431809510.db2.gz COWSRUVHRJVKLJ-IHWYPQMZSA-N 2 1 304.409 2.636 20 0 DFADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000647990412 431766227 /nfs/dbraw/zinc/76/62/27/431766227.db2.gz YSTWVRFDRYMQKY-KBPBESRZSA-N 2 1 305.491 2.811 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000657470858 431772801 /nfs/dbraw/zinc/77/28/01/431772801.db2.gz VHMVVFXQUGIADA-IXDOHACOSA-N 2 1 322.497 2.598 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000657470858 431772810 /nfs/dbraw/zinc/77/28/10/431772810.db2.gz VHMVVFXQUGIADA-IXDOHACOSA-N 2 1 322.497 2.598 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000648146707 431825144 /nfs/dbraw/zinc/82/51/44/431825144.db2.gz ZOUOGZXIZDDMFY-CYBMUJFWSA-N 2 1 300.406 2.755 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648153962 431826896 /nfs/dbraw/zinc/82/68/96/431826896.db2.gz KQZRKYJKPWBJLD-WFASDCNBSA-N 2 1 311.857 2.576 20 0 DFADMP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657629085 431828025 /nfs/dbraw/zinc/82/80/25/431828025.db2.gz ZTOHCZUSFCHDIV-HZSPNIEDSA-N 2 1 310.388 2.949 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000274797526 282025638 /nfs/dbraw/zinc/02/56/38/282025638.db2.gz MNCZHNHWYFFKIA-DJIMGWMZSA-N 2 1 317.477 2.715 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCOC(C)(C)C ZINC000354729265 289333911 /nfs/dbraw/zinc/33/39/11/289333911.db2.gz ISIYFYBDEOZZNP-IKGGRYGDSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173161 289347763 /nfs/dbraw/zinc/34/77/63/289347763.db2.gz HCKASYPORZFIPG-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](c1ccccc1F)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245428404 290265294 /nfs/dbraw/zinc/26/52/94/290265294.db2.gz MNEYRGKEOISRFR-IAGOWNOFSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245428404 290265296 /nfs/dbraw/zinc/26/52/96/290265296.db2.gz MNEYRGKEOISRFR-IAGOWNOFSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH+]3C)cc2)C1 ZINC000299501326 533693305 /nfs/dbraw/zinc/69/33/05/533693305.db2.gz IARNRNRNMPHNOI-QAPCUYQASA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@@H+]3C)cc2)C1 ZINC000299501326 533693319 /nfs/dbraw/zinc/69/33/19/533693319.db2.gz IARNRNRNMPHNOI-QAPCUYQASA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C)cc2)C1 ZINC000299501326 533693327 /nfs/dbraw/zinc/69/33/27/533693327.db2.gz IARNRNRNMPHNOI-QAPCUYQASA-N 2 1 315.461 2.951 20 0 DFADMP Cc1nc(C)n(C[C@@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)n1 ZINC000372544136 293246195 /nfs/dbraw/zinc/24/61/95/293246195.db2.gz GBLQGGLYWBCYNG-SFHVURJKSA-N 2 1 319.497 2.625 20 0 DFADMP Cc1nc(C)n(C[C@@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)n1 ZINC000372544136 293246197 /nfs/dbraw/zinc/24/61/97/293246197.db2.gz GBLQGGLYWBCYNG-SFHVURJKSA-N 2 1 319.497 2.625 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)OCC)[C@H](C)C1 ZINC000437087235 297054211 /nfs/dbraw/zinc/05/42/11/297054211.db2.gz UTSQPZJZSIMVKB-CVEARBPZSA-N 2 1 300.487 2.528 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437855605 297072448 /nfs/dbraw/zinc/07/24/48/297072448.db2.gz YORKRMSGBTVQJI-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437855605 297072450 /nfs/dbraw/zinc/07/24/50/297072450.db2.gz YORKRMSGBTVQJI-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437855605 297072453 /nfs/dbraw/zinc/07/24/53/297072453.db2.gz YORKRMSGBTVQJI-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[C@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000437875487 297072769 /nfs/dbraw/zinc/07/27/69/297072769.db2.gz LRFCQPOSJMFRIT-IAGOWNOFSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437870764 297073037 /nfs/dbraw/zinc/07/30/37/297073037.db2.gz SSLAZBQQFCQNKG-JZXOWHBKSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437870764 297073039 /nfs/dbraw/zinc/07/30/39/297073039.db2.gz SSLAZBQQFCQNKG-JZXOWHBKSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437870764 297073041 /nfs/dbraw/zinc/07/30/41/297073041.db2.gz SSLAZBQQFCQNKG-JZXOWHBKSA-N 2 1 321.509 2.773 20 0 DFADMP Cn1ncc(Cl)c1CN1CC[C@H](n2c[nH+]c3c2CCCC3)C1 ZINC000437976270 297076017 /nfs/dbraw/zinc/07/60/17/297076017.db2.gz HDRLZUYPUPWOCA-LBPRGKRZSA-N 2 1 319.840 2.596 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)c1OC ZINC000285478498 295140357 /nfs/dbraw/zinc/14/03/57/295140357.db2.gz BJENHRSAILOXSL-ZDUSSCGKSA-N 2 1 306.450 2.627 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000156698443 295339698 /nfs/dbraw/zinc/33/96/98/295339698.db2.gz PPUVAZCIAAFYCL-IAGOWNOFSA-N 2 1 312.498 2.527 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CC2(C[N@@H+]3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330196 295347323 /nfs/dbraw/zinc/34/73/23/295347323.db2.gz PFQFHBYITXJHGN-TVFCKZIOSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000158224549 295360145 /nfs/dbraw/zinc/36/01/45/295360145.db2.gz WFNNROHKJHNQCG-AEFFLSMTSA-N 2 1 312.461 2.924 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000158224549 295360147 /nfs/dbraw/zinc/36/01/47/295360147.db2.gz WFNNROHKJHNQCG-AEFFLSMTSA-N 2 1 312.461 2.924 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)CCC2 ZINC000158896141 295368937 /nfs/dbraw/zinc/36/89/37/295368937.db2.gz LVWFOYSHXCDFKM-OXQOHEQNSA-N 2 1 316.489 2.919 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000159216614 295374226 /nfs/dbraw/zinc/37/42/26/295374226.db2.gz QUWVRIBNDUMPLT-HNNXBMFYSA-N 2 1 320.481 2.693 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(C)C1CCCCC1 ZINC000159216614 295374228 /nfs/dbraw/zinc/37/42/28/295374228.db2.gz QUWVRIBNDUMPLT-HNNXBMFYSA-N 2 1 320.481 2.693 20 0 DFADMP C[C@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397029505 295486378 /nfs/dbraw/zinc/48/63/78/295486378.db2.gz AMTMUOLSQLYMCY-SNVBAGLBSA-N 2 1 303.233 2.840 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000397390079 295487171 /nfs/dbraw/zinc/48/71/71/295487171.db2.gz JGLVMIMGSKLQJL-SNVBAGLBSA-N 2 1 303.269 2.988 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438569951 297099132 /nfs/dbraw/zinc/09/91/32/297099132.db2.gz UZGNSSXLOALYIR-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438569951 297099134 /nfs/dbraw/zinc/09/91/34/297099134.db2.gz UZGNSSXLOALYIR-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438569951 297099135 /nfs/dbraw/zinc/09/91/35/297099135.db2.gz UZGNSSXLOALYIR-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568776 297099279 /nfs/dbraw/zinc/09/92/79/297099279.db2.gz QQOGSRDWWUAFDA-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)sc2C1 ZINC000438907435 297106611 /nfs/dbraw/zinc/10/66/11/297106611.db2.gz OBSHTVCXFJKURK-YUELXQCFSA-N 2 1 321.490 2.567 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)sc2C1 ZINC000438907435 297106612 /nfs/dbraw/zinc/10/66/12/297106612.db2.gz OBSHTVCXFJKURK-YUELXQCFSA-N 2 1 321.490 2.567 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4ccnc4C3)c2C1 ZINC000440144364 297145521 /nfs/dbraw/zinc/14/55/21/297145521.db2.gz JPRGKXIMKISQLR-CQSZACIVSA-N 2 1 324.428 2.810 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4ccnc4C3)c2C1 ZINC000440144364 297145524 /nfs/dbraw/zinc/14/55/24/297145524.db2.gz JPRGKXIMKISQLR-CQSZACIVSA-N 2 1 324.428 2.810 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150303 297173151 /nfs/dbraw/zinc/17/31/51/297173151.db2.gz CYANHOXCABDTSR-AEFFLSMTSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150303 297173152 /nfs/dbraw/zinc/17/31/52/297173152.db2.gz CYANHOXCABDTSR-AEFFLSMTSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150303 297173153 /nfs/dbraw/zinc/17/31/53/297173153.db2.gz CYANHOXCABDTSR-AEFFLSMTSA-N 2 1 317.477 2.844 20 0 DFADMP CC(C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cn1 ZINC000442878432 297209259 /nfs/dbraw/zinc/20/92/59/297209259.db2.gz TZCTUXWKSXHASZ-QGZVFWFLSA-N 2 1 322.472 2.533 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000443006333 297212922 /nfs/dbraw/zinc/21/29/22/297212922.db2.gz WVWZIIVNXBZIHU-HNNXBMFYSA-N 2 1 316.367 2.560 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057632 297214069 /nfs/dbraw/zinc/21/40/69/297214069.db2.gz HLAYBSNISUZPRH-STQMWFEESA-N 2 1 309.841 2.728 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000443058039 297214098 /nfs/dbraw/zinc/21/40/98/297214098.db2.gz IXIFSAWEKGQDTP-UONOGXRCSA-N 2 1 307.413 2.522 20 0 DFADMP CCC[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443060877 297214386 /nfs/dbraw/zinc/21/43/86/297214386.db2.gz PXYMRJRIKGUTJA-WMZOPIPTSA-N 2 1 317.477 2.705 20 0 DFADMP CCC[N@H+](C)CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444445742 297236759 /nfs/dbraw/zinc/23/67/59/297236759.db2.gz IFLUKHXTUIZEOD-CQSZACIVSA-N 2 1 314.433 2.700 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444445742 297236760 /nfs/dbraw/zinc/23/67/60/297236760.db2.gz IFLUKHXTUIZEOD-CQSZACIVSA-N 2 1 314.433 2.700 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(C)cn2)CC1 ZINC000447314313 297300902 /nfs/dbraw/zinc/30/09/02/297300902.db2.gz MQQXXRQZJPUGCQ-UHFFFAOYSA-N 2 1 318.465 2.525 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000447429702 297303676 /nfs/dbraw/zinc/30/36/76/297303676.db2.gz BKJBZTLEXJXMBW-AWEZNQCLSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000447429702 297303678 /nfs/dbraw/zinc/30/36/78/297303678.db2.gz BKJBZTLEXJXMBW-AWEZNQCLSA-N 2 1 321.490 2.556 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNc1cc(N2CCCC2)ncn1 ZINC000447815208 297318545 /nfs/dbraw/zinc/31/85/45/297318545.db2.gz DVYGXASWUVWTTR-AWEZNQCLSA-N 2 1 303.454 2.609 20 0 DFADMP Cc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1F ZINC000449038134 297396040 /nfs/dbraw/zinc/39/60/40/297396040.db2.gz RSNOKMYQHFAYGS-WMZOPIPTSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1F ZINC000449038134 297396042 /nfs/dbraw/zinc/39/60/42/297396042.db2.gz RSNOKMYQHFAYGS-WMZOPIPTSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1F ZINC000449038133 297396049 /nfs/dbraw/zinc/39/60/49/297396049.db2.gz RSNOKMYQHFAYGS-SJLPKXTDSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1F ZINC000449038133 297396050 /nfs/dbraw/zinc/39/60/50/297396050.db2.gz RSNOKMYQHFAYGS-SJLPKXTDSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000449048570 297397707 /nfs/dbraw/zinc/39/77/07/297397707.db2.gz PWAKVBHXAMCJOC-GBESFXJTSA-N 2 1 302.462 2.721 20 0 DFADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449063287 297398975 /nfs/dbraw/zinc/39/89/75/297398975.db2.gz ORVUIUKSMSGLLT-INIZCTEOSA-N 2 1 314.429 2.833 20 0 DFADMP C[C@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245945966 298022833 /nfs/dbraw/zinc/02/28/33/298022833.db2.gz WQOLYSDJUSMTCE-XDNAFOTISA-N 2 1 321.509 2.725 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H]3C[C@H](C)n4ccnc43)CC2)[nH+]1 ZINC000453110628 298062894 /nfs/dbraw/zinc/06/28/94/298062894.db2.gz CQJNVJZTCLYXHK-HOCLYGCPSA-N 2 1 311.433 2.851 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)[NH+](C)C ZINC000453117714 298063906 /nfs/dbraw/zinc/06/39/06/298063906.db2.gz ZNQQIKQNXSKDQL-VBSBHUPXSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)N(C)C ZINC000453117714 298063911 /nfs/dbraw/zinc/06/39/11/298063911.db2.gz ZNQQIKQNXSKDQL-VBSBHUPXSA-N 2 1 315.505 2.969 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C23CCC3)[C@@H](C)C1 ZINC000453134539 298066253 /nfs/dbraw/zinc/06/62/53/298066253.db2.gz XHPITZRXNJCOQN-FJIDUMEYSA-N 2 1 324.509 2.671 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453179636 298069064 /nfs/dbraw/zinc/06/90/64/298069064.db2.gz UYYOJGIXIOTDQQ-AKHDSKFASA-N 2 1 300.446 2.808 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000453303430 298081421 /nfs/dbraw/zinc/08/14/21/298081421.db2.gz BYIBVZSWFLLLOZ-VXGBXAGGSA-N 2 1 300.805 2.930 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000453303430 298081422 /nfs/dbraw/zinc/08/14/22/298081422.db2.gz BYIBVZSWFLLLOZ-VXGBXAGGSA-N 2 1 300.805 2.930 20 0 DFADMP CC(C)OCCOC1CC[NH+]([C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000453354434 298086678 /nfs/dbraw/zinc/08/66/78/298086678.db2.gz JSCXVVDDUVRRLA-SJORKVTESA-N 2 1 310.482 2.519 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H](C)C1 ZINC000453381877 298088651 /nfs/dbraw/zinc/08/86/51/298088651.db2.gz XXTYZKMGGSTHDX-JKSUJKDBSA-N 2 1 314.514 2.510 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453390002 298089173 /nfs/dbraw/zinc/08/91/73/298089173.db2.gz CQSFMMSJUJHPSL-INIZCTEOSA-N 2 1 317.477 2.892 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000453398872 298089712 /nfs/dbraw/zinc/08/97/12/298089712.db2.gz NHLPRYFRXLNATR-JKSUJKDBSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000453398872 298089713 /nfs/dbraw/zinc/08/97/13/298089713.db2.gz NHLPRYFRXLNATR-JKSUJKDBSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000453419339 298092852 /nfs/dbraw/zinc/09/28/52/298092852.db2.gz YVDYSRRZKZGYOD-SZNDQCEHSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496161541 300023941 /nfs/dbraw/zinc/02/39/41/300023941.db2.gz NQCFDTGFFIJJAG-APHBMKBZSA-N 2 1 303.406 2.564 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496492717 300070472 /nfs/dbraw/zinc/07/04/72/300070472.db2.gz BXTQHIQASCPXRR-HIFRSBDPSA-N 2 1 305.422 2.811 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496517521 300074433 /nfs/dbraw/zinc/07/44/33/300074433.db2.gz ZDAOWBIHVHZVLA-CYBMUJFWSA-N 2 1 305.422 2.811 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000496712207 300102946 /nfs/dbraw/zinc/10/29/46/300102946.db2.gz JJYAQZOYPYBWDK-XJKSGUPXSA-N 2 1 305.422 2.528 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000496808573 300117425 /nfs/dbraw/zinc/11/74/25/300117425.db2.gz JFNLIHRKJKMNFJ-AWEZNQCLSA-N 2 1 324.469 2.721 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000498203416 300194521 /nfs/dbraw/zinc/19/45/21/300194521.db2.gz ZVBJTLLRFNVRCD-PKOBYXMFSA-N 2 1 323.525 2.865 20 0 DFADMP CCC[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000509921079 300243346 /nfs/dbraw/zinc/24/33/46/300243346.db2.gz WUEFIAKGLKZQHB-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000514730209 300268846 /nfs/dbraw/zinc/26/88/46/300268846.db2.gz KAQGPIOSMKFHQZ-QAPCUYQASA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[N@@H+](CCCc1cncn1C)CCN1CCCCCC1 ZINC000514947782 300281539 /nfs/dbraw/zinc/28/15/39/300281539.db2.gz KFKAEFMVUNUKMN-UHFFFAOYSA-N 2 1 306.498 2.939 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515654470 300316721 /nfs/dbraw/zinc/31/67/21/300316721.db2.gz SUGSTEDGBWPAJG-IAGOWNOFSA-N 2 1 309.498 2.522 20 0 DFADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000516977903 300375193 /nfs/dbraw/zinc/37/51/93/300375193.db2.gz DHZZOAPXEKTCNX-GVDBMIGSSA-N 2 1 305.466 2.878 20 0 DFADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000516977903 300375195 /nfs/dbraw/zinc/37/51/95/300375195.db2.gz DHZZOAPXEKTCNX-GVDBMIGSSA-N 2 1 305.466 2.878 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1OCCc2sccc21 ZINC000519833799 300481736 /nfs/dbraw/zinc/48/17/36/300481736.db2.gz QIZNFRJCCPPIIZ-WBMJQRKESA-N 2 1 305.447 2.706 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530178673 301026142 /nfs/dbraw/zinc/02/61/42/301026142.db2.gz PUTODBVXAVMJNK-RDJZCZTQSA-N 2 1 315.461 2.895 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530178787 301026512 /nfs/dbraw/zinc/02/65/12/301026512.db2.gz RAMBEFNEWCTKAD-ZBFHGGJFSA-N 2 1 301.434 2.586 20 0 DFADMP C[C@@H]([NH2+]Cc1cc(F)c(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC000530219522 301031286 /nfs/dbraw/zinc/03/12/86/301031286.db2.gz JMZYKQBKNHXBHM-RKDXNWHRSA-N 2 1 319.193 2.815 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000530222990 301031634 /nfs/dbraw/zinc/03/16/34/301031634.db2.gz IYADKHUHSANPGP-YJBOKZPZSA-N 2 1 320.452 2.847 20 0 DFADMP CCCc1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530239087 301033373 /nfs/dbraw/zinc/03/33/73/301033373.db2.gz CIUOAFDVLQTYFG-INIZCTEOSA-N 2 1 323.506 2.686 20 0 DFADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000530465187 301049594 /nfs/dbraw/zinc/04/95/94/301049594.db2.gz HXNLXFPRDNPKIB-UONOGXRCSA-N 2 1 317.433 2.762 20 0 DFADMP CC[C@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+](CC)CC ZINC000531049002 301077311 /nfs/dbraw/zinc/07/73/11/301077311.db2.gz ZOPXYABYYDTCJE-QGZVFWFLSA-N 2 1 311.514 2.686 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)nc2)[C@@H](C)C1 ZINC000531715882 301105732 /nfs/dbraw/zinc/10/57/32/301105732.db2.gz RZCUGTWFNVEPQP-QFBILLFUSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531940374 301119739 /nfs/dbraw/zinc/11/97/39/301119739.db2.gz USLIVLMAXLFWGD-KGLIPLIRSA-N 2 1 313.445 2.706 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531940376 301119768 /nfs/dbraw/zinc/11/97/68/301119768.db2.gz USLIVLMAXLFWGD-ZIAGYGMSSA-N 2 1 313.445 2.706 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000531936118 301119801 /nfs/dbraw/zinc/11/98/01/301119801.db2.gz HSFKOTZURRPPJK-JJRVBVJISA-N 2 1 303.450 2.853 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000531936118 301119804 /nfs/dbraw/zinc/11/98/04/301119804.db2.gz HSFKOTZURRPPJK-JJRVBVJISA-N 2 1 303.450 2.853 20 0 DFADMP C[C@@H]1CC[C@@H](CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000532345003 301146469 /nfs/dbraw/zinc/14/64/69/301146469.db2.gz BLKPZNFVIIGJME-HUUCEWRRSA-N 2 1 316.449 2.598 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532525265 301158438 /nfs/dbraw/zinc/15/84/38/301158438.db2.gz ITXQEDKHYWRWLT-XHSDSOJGSA-N 2 1 303.450 2.784 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532525265 301158440 /nfs/dbraw/zinc/15/84/40/301158440.db2.gz ITXQEDKHYWRWLT-XHSDSOJGSA-N 2 1 303.450 2.784 20 0 DFADMP COc1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1Cl ZINC000533099464 301185733 /nfs/dbraw/zinc/18/57/33/301185733.db2.gz ITUKTMDCVFJMIQ-UHFFFAOYSA-N 2 1 311.857 2.907 20 0 DFADMP CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cs1 ZINC000533865547 301214818 /nfs/dbraw/zinc/21/48/18/301214818.db2.gz QBBMOESODRYKGC-STQMWFEESA-N 2 1 320.462 2.964 20 0 DFADMP Cc1nc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)nc2ccccc12 ZINC000533865640 301215120 /nfs/dbraw/zinc/21/51/20/301215120.db2.gz UUGSEBDQHCWKGA-CQSZACIVSA-N 2 1 307.401 2.661 20 0 DFADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000534579234 301234591 /nfs/dbraw/zinc/23/45/91/301234591.db2.gz HCYMIPBNVXNGAA-HUUCEWRRSA-N 2 1 312.417 2.545 20 0 DFADMP Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@@H](c2nccn2C)C1 ZINC000534579234 301234593 /nfs/dbraw/zinc/23/45/93/301234593.db2.gz HCYMIPBNVXNGAA-HUUCEWRRSA-N 2 1 312.417 2.545 20 0 DFADMP CCC[C@H]1CN(CC(C)C[N@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000536181135 301269930 /nfs/dbraw/zinc/26/99/30/301269930.db2.gz RMQUHYDLTVCMSK-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP CCc1ccc(CC[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000536452303 301274423 /nfs/dbraw/zinc/27/44/23/301274423.db2.gz CAPFGDQUYPNPBG-UHFFFAOYSA-N 2 1 317.521 2.749 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(N(C)C)s2)CC1 ZINC000536652201 301285683 /nfs/dbraw/zinc/28/56/83/301285683.db2.gz KPYHQSCPOMSXJQ-UHFFFAOYSA-N 2 1 310.511 2.761 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000537607189 301305820 /nfs/dbraw/zinc/30/58/20/301305820.db2.gz SBTPGXKQEBACME-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP COCc1cnc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)s1 ZINC000539409448 301341565 /nfs/dbraw/zinc/34/15/65/301341565.db2.gz ZWYUUECGMVEQJY-UHFFFAOYSA-N 2 1 311.495 2.842 20 0 DFADMP COCc1cnc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)s1 ZINC000539409448 301341569 /nfs/dbraw/zinc/34/15/69/301341569.db2.gz ZWYUUECGMVEQJY-UHFFFAOYSA-N 2 1 311.495 2.842 20 0 DFADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120850 302038875 /nfs/dbraw/zinc/03/88/75/302038875.db2.gz IMCLZMGWPHQLIF-QGZVFWFLSA-N 2 1 302.462 2.934 20 0 DFADMP CC(C)(O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120850 302038879 /nfs/dbraw/zinc/03/88/79/302038879.db2.gz IMCLZMGWPHQLIF-QGZVFWFLSA-N 2 1 302.462 2.934 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H]3C)c2C1 ZINC000563203138 302048605 /nfs/dbraw/zinc/04/86/05/302048605.db2.gz OHAGAQGARSMBPH-ZBFHGGJFSA-N 2 1 315.461 2.985 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000563365573 302067169 /nfs/dbraw/zinc/06/71/69/302067169.db2.gz UVXZBPCQEAMRQT-LJQANCHMSA-N 2 1 311.429 2.822 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@]2(C1)CCc1ccccc1O2 ZINC000563365573 302067171 /nfs/dbraw/zinc/06/71/71/302067171.db2.gz UVXZBPCQEAMRQT-LJQANCHMSA-N 2 1 311.429 2.822 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC(C)(C)C)CC2)CC1 ZINC000563377458 302068233 /nfs/dbraw/zinc/06/82/33/302068233.db2.gz QDHCHVQLLPJHKD-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000563741344 302096207 /nfs/dbraw/zinc/09/62/07/302096207.db2.gz SRUUXIVRVYZBDP-WNHJNPCNSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000563741344 302096209 /nfs/dbraw/zinc/09/62/09/302096209.db2.gz SRUUXIVRVYZBDP-WNHJNPCNSA-N 2 1 302.462 2.933 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1)C1CC1 ZINC000563961195 302112233 /nfs/dbraw/zinc/11/22/33/302112233.db2.gz ZBUNWFDHNQWQHT-KBPBESRZSA-N 2 1 303.450 2.527 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000563961214 302112521 /nfs/dbraw/zinc/11/25/21/302112521.db2.gz XMTOBSNLPFCVBI-NJAFHUGGSA-N 2 1 317.477 2.798 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000564096552 302118764 /nfs/dbraw/zinc/11/87/64/302118764.db2.gz MLHWKDJVQKZMIK-LJQANCHMSA-N 2 1 313.445 2.626 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000564096552 302118766 /nfs/dbraw/zinc/11/87/66/302118766.db2.gz MLHWKDJVQKZMIK-LJQANCHMSA-N 2 1 313.445 2.626 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000564742275 302155717 /nfs/dbraw/zinc/15/57/17/302155717.db2.gz YBPTUXHOFGGWQH-NWDGAFQWSA-N 2 1 324.266 2.979 20 0 DFADMP C[NH+](C)CC(=O)Nc1ccc(SCC[NH+]2CCCCC2)cc1 ZINC000565028907 302185931 /nfs/dbraw/zinc/18/59/31/302185931.db2.gz PYRUHFNNHOVEPQ-UHFFFAOYSA-N 2 1 321.490 2.765 20 0 DFADMP C[C@H]1C[C@H](NC2CC([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000565218806 302209092 /nfs/dbraw/zinc/20/90/92/302209092.db2.gz PCKPQNRBTDVMCO-XMZVIZOASA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000565888906 302246839 /nfs/dbraw/zinc/24/68/39/302246839.db2.gz IHJDTFRVZXAFGF-INIZCTEOSA-N 2 1 317.477 2.806 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000565887591 302246985 /nfs/dbraw/zinc/24/69/85/302246985.db2.gz WQCZLTBAUMROQB-ZHALLVOQSA-N 2 1 304.478 2.719 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000565951437 302250053 /nfs/dbraw/zinc/25/00/53/302250053.db2.gz NMERZIPMQAHWNB-RBUKOAKNSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000565951437 302250056 /nfs/dbraw/zinc/25/00/56/302250056.db2.gz NMERZIPMQAHWNB-RBUKOAKNSA-N 2 1 314.473 2.792 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000566088556 302258470 /nfs/dbraw/zinc/25/84/70/302258470.db2.gz ALGCULDUYJFQQF-KSSFIOAISA-N 2 1 308.429 2.621 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000566114539 302260676 /nfs/dbraw/zinc/26/06/76/302260676.db2.gz IZPINZIHWADANS-VQTJNVASSA-N 2 1 318.505 2.938 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566304201 302277286 /nfs/dbraw/zinc/27/72/86/302277286.db2.gz SHBVSNOIRSQIRS-GOSISDBHSA-N 3 1 321.484 2.920 20 0 DFADMP CC(C)[N@H+](C)CC1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566304201 302277288 /nfs/dbraw/zinc/27/72/88/302277288.db2.gz SHBVSNOIRSQIRS-GOSISDBHSA-N 2 1 321.484 2.920 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566304201 302277291 /nfs/dbraw/zinc/27/72/91/302277291.db2.gz SHBVSNOIRSQIRS-GOSISDBHSA-N 2 1 321.484 2.920 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000566304201 302277292 /nfs/dbraw/zinc/27/72/92/302277292.db2.gz SHBVSNOIRSQIRS-GOSISDBHSA-N 2 1 321.484 2.920 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](CN)c2ccc(F)cc2)CC1 ZINC000566304201 302277294 /nfs/dbraw/zinc/27/72/94/302277294.db2.gz SHBVSNOIRSQIRS-GOSISDBHSA-N 2 1 321.484 2.920 20 0 DFADMP CC[C@H](C)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000567111651 302336653 /nfs/dbraw/zinc/33/66/53/302336653.db2.gz SUJIGAQXVDMQCW-YOEHRIQHSA-N 2 1 319.449 2.618 20 0 DFADMP CC[C@@H](C)C[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000567111648 302336993 /nfs/dbraw/zinc/33/69/93/302336993.db2.gz SUJIGAQXVDMQCW-PBHICJAKSA-N 2 1 319.449 2.618 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000567500176 302364163 /nfs/dbraw/zinc/36/41/63/302364163.db2.gz MUMQTUAWVRKFKA-KRWDZBQOSA-N 2 1 301.434 2.534 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000567587423 302370678 /nfs/dbraw/zinc/37/06/78/302370678.db2.gz IFDWXWQCVFXSPZ-IBGZPJMESA-N 2 1 324.472 2.978 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000567587423 302370681 /nfs/dbraw/zinc/37/06/81/302370681.db2.gz IFDWXWQCVFXSPZ-IBGZPJMESA-N 2 1 324.472 2.978 20 0 DFADMP C[C@H]1COCC[N@@H+]1C1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000567624306 302374650 /nfs/dbraw/zinc/37/46/50/302374650.db2.gz LJRFFSXYQGFUOL-JVPBZIDWSA-N 2 1 318.436 2.867 20 0 DFADMP C[C@H]1COCC[N@H+]1C1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000567624306 302374652 /nfs/dbraw/zinc/37/46/52/302374652.db2.gz LJRFFSXYQGFUOL-JVPBZIDWSA-N 2 1 318.436 2.867 20 0 DFADMP CCn1c2ccccc2nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000567638046 302375306 /nfs/dbraw/zinc/37/53/06/302375306.db2.gz BCIRNSPYCZMRLI-ILXRZTDVSA-N 2 1 300.450 2.861 20 0 DFADMP CCn1c2ccccc2nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000567638046 302375308 /nfs/dbraw/zinc/37/53/08/302375308.db2.gz BCIRNSPYCZMRLI-ILXRZTDVSA-N 2 1 300.450 2.861 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000567674557 302378768 /nfs/dbraw/zinc/37/87/68/302378768.db2.gz PYWBKVZIJAGIND-ZDUSSCGKSA-N 2 1 313.449 2.685 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000567683275 302379073 /nfs/dbraw/zinc/37/90/73/302379073.db2.gz KYKWCOYMKBZXLG-ZBFHGGJFSA-N 2 1 310.507 2.957 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000567683275 302379074 /nfs/dbraw/zinc/37/90/74/302379074.db2.gz KYKWCOYMKBZXLG-ZBFHGGJFSA-N 2 1 310.507 2.957 20 0 DFADMP CC[N@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H]1CCC[NH2+]CC1 ZINC000567872315 302395383 /nfs/dbraw/zinc/39/53/83/302395383.db2.gz KASZHTWEIYVYQF-PBHICJAKSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@H]1CCC[NH2+]CC1 ZINC000567872315 302395384 /nfs/dbraw/zinc/39/53/84/302395384.db2.gz KASZHTWEIYVYQF-PBHICJAKSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)[C@@H]1CCC[NH2+]CC1 ZINC000567872317 302395553 /nfs/dbraw/zinc/39/55/53/302395553.db2.gz KASZHTWEIYVYQF-WMLDXEAASA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)[C@@H]1CCC[NH2+]CC1 ZINC000567872317 302395556 /nfs/dbraw/zinc/39/55/56/302395556.db2.gz KASZHTWEIYVYQF-WMLDXEAASA-N 2 1 318.461 2.983 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]2CCCC[C@@H]12 ZINC000567897401 302397486 /nfs/dbraw/zinc/39/74/86/302397486.db2.gz FDFDEMDZKXVULK-ZKIDJSGLSA-N 2 1 316.489 2.818 20 0 DFADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178666659 315992466 /nfs/dbraw/zinc/99/24/66/315992466.db2.gz RAKNHVMCWDZNNT-ZDUSSCGKSA-N 2 1 300.406 2.576 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735782 316191048 /nfs/dbraw/zinc/19/10/48/316191048.db2.gz IMPBMCLFDHGMOP-LUKYLMHMSA-N 2 1 323.525 2.922 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735782 316191050 /nfs/dbraw/zinc/19/10/50/316191050.db2.gz IMPBMCLFDHGMOP-LUKYLMHMSA-N 2 1 323.525 2.922 20 0 DFADMP C[C@H]([NH2+]CCC(=O)NC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749754 316191081 /nfs/dbraw/zinc/19/10/81/316191081.db2.gz HEKGKQKZRAETCX-HOTGVXAUSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000322156153 316258437 /nfs/dbraw/zinc/25/84/37/316258437.db2.gz ALABXJCUVCIYGG-NXHRZFHOSA-N 2 1 315.461 2.552 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000346098800 316318197 /nfs/dbraw/zinc/31/81/97/316318197.db2.gz LSGVYNFVYCPRRO-DZGCQCFKSA-N 2 1 323.868 2.578 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(C)noc2C)[C@@H](C)C1 ZINC000346598441 316318850 /nfs/dbraw/zinc/31/88/50/316318850.db2.gz GABTYLNPFGUMNL-KSSFIOAISA-N 2 1 323.481 2.561 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000360019950 316573797 /nfs/dbraw/zinc/57/37/97/316573797.db2.gz SMXGCJAZNOLNKX-ZIAGYGMSSA-N 2 1 315.417 2.874 20 0 DFADMP CC(C)(C)[NH2+]CCN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414770941 316649576 /nfs/dbraw/zinc/64/95/76/316649576.db2.gz YWRLWITYJJLSIR-HNNXBMFYSA-N 2 1 304.482 2.787 20 0 DFADMP CCc1cc(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000450300449 317080983 /nfs/dbraw/zinc/08/09/83/317080983.db2.gz CXPHWTSNWAHJEU-IYBDPMFKSA-N 2 1 317.477 2.970 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000450392945 317088661 /nfs/dbraw/zinc/08/86/61/317088661.db2.gz PGWFRSBWCMJTGI-CVEARBPZSA-N 2 1 315.452 2.524 20 0 DFADMP CCc1cc(N2CCC(N3CC[NH+](C(C)C)CC3)CC2)cc[nH+]1 ZINC000450402809 317089974 /nfs/dbraw/zinc/08/99/74/317089974.db2.gz CLKXLWXYHNPWNR-UHFFFAOYSA-N 2 1 316.493 2.639 20 0 DFADMP CC[C@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)NC ZINC000453396313 317183198 /nfs/dbraw/zinc/18/31/98/317183198.db2.gz HLMGGBJZPUNZGG-ABHNRTSZSA-N 2 1 317.477 2.544 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCN(Cc2ccncc2)CC1)C1CC1 ZINC000453396363 317183404 /nfs/dbraw/zinc/18/34/04/317183404.db2.gz ILBBVWKSNLVKJO-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CS1 ZINC000488454335 317394719 /nfs/dbraw/zinc/39/47/19/317394719.db2.gz YGUUZTKJKRGOEX-JYJNAYRXSA-N 2 1 314.539 2.733 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491593325 317586114 /nfs/dbraw/zinc/58/61/14/317586114.db2.gz FHGQJWMEVKFXDK-ZDUSSCGKSA-N 2 1 318.440 2.916 20 0 DFADMP COCCC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000518473063 317714059 /nfs/dbraw/zinc/71/40/59/317714059.db2.gz DOZIXNSETMEAHH-KRWDZBQOSA-N 2 1 305.397 2.859 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000525180361 317724195 /nfs/dbraw/zinc/72/41/95/317724195.db2.gz YMWJSVJTINFFJK-OWCLPIDISA-N 2 1 307.507 2.815 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530224742 317777137 /nfs/dbraw/zinc/77/71/37/317777137.db2.gz XUVLVLXHPNFGFE-ISVAXAHUSA-N 2 1 319.193 2.944 20 0 DFADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530226530 317777343 /nfs/dbraw/zinc/77/73/43/317777343.db2.gz RRTFCPQZIMAPCT-SQNIBIBYSA-N 2 1 307.397 2.548 20 0 DFADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000562019437 317900896 /nfs/dbraw/zinc/90/08/96/317900896.db2.gz LYJLAPCPVGDFOT-OAGGEKHMSA-N 2 1 307.507 2.815 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000574512341 318022714 /nfs/dbraw/zinc/02/27/14/318022714.db2.gz LMADPDSPJXGEFZ-RBUKOAKNSA-N 2 1 304.478 2.548 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000575059148 318060245 /nfs/dbraw/zinc/06/02/45/318060245.db2.gz HWVKVNPNJILHJN-NUEKZKHPSA-N 2 1 306.425 2.554 20 0 DFADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000576209805 318110690 /nfs/dbraw/zinc/11/06/90/318110690.db2.gz VJUYSDNMNXWALT-HZPDHXFCSA-N 2 1 321.490 2.739 20 0 DFADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000576209804 318110812 /nfs/dbraw/zinc/11/08/12/318110812.db2.gz VJUYSDNMNXWALT-HOTGVXAUSA-N 2 1 321.490 2.739 20 0 DFADMP COc1ccc2c(c1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000576233198 318113138 /nfs/dbraw/zinc/11/31/38/318113138.db2.gz PPJQKAFTXXBKNM-UHFFFAOYSA-N 2 1 308.425 2.899 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000577343317 318185693 /nfs/dbraw/zinc/18/56/93/318185693.db2.gz LVXVYEAQEMDQTK-ZFWWWQNUSA-N 2 1 319.474 2.746 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@](C)(O)C(F)(F)F)c1 ZINC000577621927 318205766 /nfs/dbraw/zinc/20/57/66/318205766.db2.gz LPVXKIDKZJLNKV-AWEZNQCLSA-N 2 1 304.356 2.541 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCCN1Cc1ccccc1 ZINC000577873240 318223608 /nfs/dbraw/zinc/22/36/08/318223608.db2.gz UTKBFSPLTBOTIJ-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@@H](NC[C@@H]2CCC[NH+](C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000577873240 318223613 /nfs/dbraw/zinc/22/36/13/318223613.db2.gz UTKBFSPLTBOTIJ-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@@H](NC[C@@H]2CCC[N@H+](C)C2)CCC[NH+]1Cc1ccccc1 ZINC000577873240 318223616 /nfs/dbraw/zinc/22/36/16/318223616.db2.gz UTKBFSPLTBOTIJ-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)CCC[NH+]1Cc1ccccc1 ZINC000577873240 318223618 /nfs/dbraw/zinc/22/36/18/318223618.db2.gz UTKBFSPLTBOTIJ-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263972 318248931 /nfs/dbraw/zinc/24/89/31/318248931.db2.gz CABNNNNKYBSXJS-BBRMVZONSA-N 2 1 304.463 2.706 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263972 318248934 /nfs/dbraw/zinc/24/89/34/318248934.db2.gz CABNNNNKYBSXJS-BBRMVZONSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263972 318248937 /nfs/dbraw/zinc/24/89/37/318248937.db2.gz CABNNNNKYBSXJS-BBRMVZONSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263972 318248939 /nfs/dbraw/zinc/24/89/39/318248939.db2.gz CABNNNNKYBSXJS-BBRMVZONSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263972 318248941 /nfs/dbraw/zinc/24/89/41/318248941.db2.gz CABNNNNKYBSXJS-BBRMVZONSA-N 3 1 304.463 2.706 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCC[C@H]3O)C2)[nH+]1 ZINC000578421316 318259426 /nfs/dbraw/zinc/25/94/26/318259426.db2.gz KWYQRJWUVPIEKO-GVDBMIGSSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCCC[C@H]3O)C2)[nH+]1 ZINC000578421316 318259430 /nfs/dbraw/zinc/25/94/30/318259430.db2.gz KWYQRJWUVPIEKO-GVDBMIGSSA-N 2 1 303.450 2.675 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000578519096 318267055 /nfs/dbraw/zinc/26/70/55/318267055.db2.gz OVPPNBSXWSYMJY-LBPRGKRZSA-N 2 1 321.396 2.860 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618586 318273230 /nfs/dbraw/zinc/27/32/30/318273230.db2.gz HXGUAVGJIYASFX-ZIFCJYIRSA-N 2 1 304.478 2.861 20 0 DFADMP C[C@H]1COCC[N@@H+]1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000578879422 318292207 /nfs/dbraw/zinc/29/22/07/318292207.db2.gz UPACTSLIEGEAEN-JZLODUJNSA-N 2 1 300.446 2.885 20 0 DFADMP C[C@H]1COCC[N@H+]1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000578879422 318292210 /nfs/dbraw/zinc/29/22/10/318292210.db2.gz UPACTSLIEGEAEN-JZLODUJNSA-N 2 1 300.446 2.885 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000579254452 318318423 /nfs/dbraw/zinc/31/84/23/318318423.db2.gz JTCBDAKCPOREIQ-WMHVBEDNSA-N 2 1 312.417 2.717 20 0 DFADMP COCC[NH2+]C1CC[NH+](Cc2c(C)oc3ccccc32)CC1 ZINC000579479714 318333715 /nfs/dbraw/zinc/33/37/15/318333715.db2.gz ALGWJFACNGNKLE-UHFFFAOYSA-N 2 1 302.418 2.942 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)C1 ZINC000579611487 318342818 /nfs/dbraw/zinc/34/28/18/318342818.db2.gz UGBDZZQRDGFAGY-OAHLLOKOSA-N 2 1 315.461 2.604 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000579610818 318342839 /nfs/dbraw/zinc/34/28/39/318342839.db2.gz LAYALSMSHMDOGD-ZACQAIPSSA-N 2 1 321.509 2.582 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3c(OC)cccc32)CC1 ZINC000194866452 323274544 /nfs/dbraw/zinc/27/45/44/323274544.db2.gz WNXBROUOZFZNQZ-SFHVURJKSA-N 2 1 318.461 2.773 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632364 323290572 /nfs/dbraw/zinc/29/05/72/323290572.db2.gz SKWDZEMGDLOFSK-FHWLQOOXSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379632364 323290577 /nfs/dbraw/zinc/29/05/77/323290577.db2.gz SKWDZEMGDLOFSK-FHWLQOOXSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000380929739 323292772 /nfs/dbraw/zinc/29/27/72/323292772.db2.gz FMNPTOXTVXNUDR-QWHCGFSZSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[C@H](C)NC(=O)OC(C)(C)C ZINC000381524087 323295183 /nfs/dbraw/zinc/29/51/83/323295183.db2.gz YJABHOOPXKAIBL-ZSAUSMIDSA-N 2 1 313.486 2.606 20 0 DFADMP CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000381784850 323295627 /nfs/dbraw/zinc/29/56/27/323295627.db2.gz HDJWJYCCVOSJKY-JCHJZTRSSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000381976142 323296781 /nfs/dbraw/zinc/29/67/81/323296781.db2.gz LUTWRZVLOJCBEP-UHFFFAOYSA-N 2 1 301.475 2.610 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758239 323302297 /nfs/dbraw/zinc/30/22/97/323302297.db2.gz STAYUUDQHRPBJC-MISYRCLQSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758239 323302299 /nfs/dbraw/zinc/30/22/99/323302299.db2.gz STAYUUDQHRPBJC-MISYRCLQSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758239 323302301 /nfs/dbraw/zinc/30/23/01/323302301.db2.gz STAYUUDQHRPBJC-MISYRCLQSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758239 323302303 /nfs/dbraw/zinc/30/23/03/323302303.db2.gz STAYUUDQHRPBJC-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758239 323302306 /nfs/dbraw/zinc/30/23/06/323302306.db2.gz STAYUUDQHRPBJC-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](CN)[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000382970166 323303046 /nfs/dbraw/zinc/30/30/46/323303046.db2.gz AZEVHTHIXGSXKU-SECBINFHSA-N 2 1 304.221 2.601 20 0 DFADMP C[C@H](CN)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000382970166 323303049 /nfs/dbraw/zinc/30/30/49/323303049.db2.gz AZEVHTHIXGSXKU-SECBINFHSA-N 2 1 304.221 2.601 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000383052264 323303145 /nfs/dbraw/zinc/30/31/45/323303145.db2.gz UNVSYVDAKWYUJG-SWLSCSKDSA-N 2 1 311.267 2.921 20 0 DFADMP C[N@H+](CCCc1nc(-c2cccs2)no1)C1(C[NH3+])CCC1 ZINC000385128885 323309739 /nfs/dbraw/zinc/30/97/39/323309739.db2.gz GEIHUMRBBXIAEX-UHFFFAOYSA-N 2 1 306.435 2.544 20 0 DFADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)C1(C[NH3+])CCC1 ZINC000385128885 323309743 /nfs/dbraw/zinc/30/97/43/323309743.db2.gz GEIHUMRBBXIAEX-UHFFFAOYSA-N 2 1 306.435 2.544 20 0 DFADMP c1csc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)c1 ZINC000386372729 323317653 /nfs/dbraw/zinc/31/76/53/323317653.db2.gz POVXMQVAUMFVPH-BETUJISGSA-N 2 1 303.431 2.835 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)o1 ZINC000386443810 323318906 /nfs/dbraw/zinc/31/89/06/323318906.db2.gz QRUHXRIXXFXWIG-CQSZACIVSA-N 2 1 302.422 2.798 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000386835873 323321425 /nfs/dbraw/zinc/32/14/25/323321425.db2.gz IPOHAMXOZJTQAU-MSOLQXFVSA-N 2 1 301.478 2.901 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000386835873 323321428 /nfs/dbraw/zinc/32/14/28/323321428.db2.gz IPOHAMXOZJTQAU-MSOLQXFVSA-N 2 1 301.478 2.901 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000387574354 323326081 /nfs/dbraw/zinc/32/60/81/323326081.db2.gz OMBWQSTXVNXCNS-CRAIPNDOSA-N 2 1 302.462 2.872 20 0 DFADMP CCOc1cc(CN[C@@H]2CC[N@H+](CC)C2)ccc1OC(F)F ZINC000389189694 323333891 /nfs/dbraw/zinc/33/38/91/323333891.db2.gz UNIJPJLRHYNSOF-CYBMUJFWSA-N 2 1 314.376 2.871 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000584540620 337359617 /nfs/dbraw/zinc/35/96/17/337359617.db2.gz GGCJHRDQARHWHO-NWDGAFQWSA-N 2 1 312.255 2.837 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000584594036 337373686 /nfs/dbraw/zinc/37/36/86/337373686.db2.gz QWKZFUUVBYVAJX-UHFFFAOYSA-N 2 1 321.428 2.715 20 0 DFADMP COc1cccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)c1 ZINC000298151179 533782165 /nfs/dbraw/zinc/78/21/65/533782165.db2.gz HXDRUGXUWQQLET-INIZCTEOSA-N 2 1 300.406 2.817 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C)C1CCN(Cc2cc(C)no2)CC1 ZINC000365189391 520591557 /nfs/dbraw/zinc/59/15/57/520591557.db2.gz BOORTWPZENBFDD-UHFFFAOYSA-N 2 1 322.497 2.611 20 0 DFADMP Cc1ccc2[nH+]ccc(N[C@H](C)CCN3CC[NH+](C)CC3)c2c1 ZINC000302274991 534523088 /nfs/dbraw/zinc/52/30/88/534523088.db2.gz SRPDIZWUYDHPJF-MRXNPFEDSA-N 2 1 312.461 2.981 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366330346 521112230 /nfs/dbraw/zinc/11/22/30/521112230.db2.gz QTKUIVYYRNREFN-CWRNSKLLSA-N 2 1 323.868 2.576 20 0 DFADMP CCOC(C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1)OCC ZINC000364915350 521631217 /nfs/dbraw/zinc/63/12/17/521631217.db2.gz OARQTTKSVBAIFU-HNNXBMFYSA-N 2 1 310.482 2.582 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000361396093 521706715 /nfs/dbraw/zinc/70/67/15/521706715.db2.gz DIBRLSSMBIYSIE-DOTOQJQBSA-N 2 1 314.539 2.856 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CCSCC2)[C@H](C)C1 ZINC000361396094 521707074 /nfs/dbraw/zinc/70/70/74/521707074.db2.gz DIBRLSSMBIYSIE-NVXWUHKLSA-N 2 1 314.539 2.856 20 0 DFADMP C[NH+](C)CCSC[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000368498643 521806914 /nfs/dbraw/zinc/80/69/14/521806914.db2.gz JLTODXLFQHQWOA-QGZVFWFLSA-N 2 1 308.491 2.572 20 0 DFADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)[C@H]1CCOC1 ZINC000163519239 522562434 /nfs/dbraw/zinc/56/24/34/522562434.db2.gz GSLHWOINJXEMBS-RDJZCZTQSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128384797 524527600 /nfs/dbraw/zinc/52/76/00/524527600.db2.gz SDXIKPYCYBQEQW-KRWDZBQOSA-N 2 1 321.484 2.764 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000364852653 524913679 /nfs/dbraw/zinc/91/36/79/524913679.db2.gz ICRFNZGTFWRSIX-XLMAVXFVSA-N 2 1 301.478 2.613 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000363834629 524975676 /nfs/dbraw/zinc/97/56/76/524975676.db2.gz RXDRASJDEXNUNV-SUMDDJOVSA-N 2 1 320.452 2.847 20 0 DFADMP C[C@H](c1cnccn1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364176015 526163686 /nfs/dbraw/zinc/16/36/86/526163686.db2.gz ZBJUNTFCRMPTRS-OAHLLOKOSA-N 2 1 311.433 2.781 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000309699005 526282540 /nfs/dbraw/zinc/28/25/40/526282540.db2.gz FTDMLNWNFODVBD-SFHVURJKSA-N 2 1 310.445 2.985 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000309699005 526282548 /nfs/dbraw/zinc/28/25/48/526282548.db2.gz FTDMLNWNFODVBD-SFHVURJKSA-N 2 1 310.445 2.985 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000358230111 536481803 /nfs/dbraw/zinc/48/18/03/536481803.db2.gz GSANKKSEQAQYRU-AEFFLSMTSA-N 2 1 308.441 2.959 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000358230111 536481805 /nfs/dbraw/zinc/48/18/05/536481805.db2.gz GSANKKSEQAQYRU-AEFFLSMTSA-N 2 1 308.441 2.959 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Cc2nccn2C)CC1 ZINC000163388091 527393908 /nfs/dbraw/zinc/39/39/08/527393908.db2.gz MEDDCSQFJVSMSL-UHFFFAOYSA-N 2 1 315.465 2.660 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000163460951 527397916 /nfs/dbraw/zinc/39/79/16/527397916.db2.gz KVHANBVONRDXKF-KRWDZBQOSA-N 2 1 313.449 2.801 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000163460951 527397919 /nfs/dbraw/zinc/39/79/19/527397919.db2.gz KVHANBVONRDXKF-KRWDZBQOSA-N 2 1 313.449 2.801 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156625194 527413565 /nfs/dbraw/zinc/41/35/65/527413565.db2.gz RQJDIRYPRYGXDJ-OAHLLOKOSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000156625194 527413570 /nfs/dbraw/zinc/41/35/70/527413570.db2.gz RQJDIRYPRYGXDJ-OAHLLOKOSA-N 2 1 307.438 2.635 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)[nH]c1C ZINC000296586341 528167983 /nfs/dbraw/zinc/16/79/83/528167983.db2.gz XGFWVAWITDDNCI-UHFFFAOYSA-N 2 1 319.449 2.606 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000297590150 529124435 /nfs/dbraw/zinc/12/44/35/529124435.db2.gz JDJXNMMKXUEQSH-GOSISDBHSA-N 2 1 312.461 2.843 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cn[nH]c1 ZINC000297590150 529124436 /nfs/dbraw/zinc/12/44/36/529124436.db2.gz JDJXNMMKXUEQSH-GOSISDBHSA-N 2 1 312.461 2.843 20 0 DFADMP CCN(CC)C(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361802120 535391770 /nfs/dbraw/zinc/39/17/70/535391770.db2.gz AAKYJVHAXGIXGV-KRWDZBQOSA-N 2 1 302.466 2.765 20 0 DFADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261985757 535715714 /nfs/dbraw/zinc/71/57/14/535715714.db2.gz SDCCASYUSPGZNO-UTSKFRMZSA-N 2 1 312.523 2.797 20 0 DFADMP CCc1cccc(F)c1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000354351104 535889979 /nfs/dbraw/zinc/88/99/79/535889979.db2.gz JOYLWKFMZIYTEJ-MRXNPFEDSA-N 2 1 308.441 2.715 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCCC1 ZINC000361346311 535893944 /nfs/dbraw/zinc/89/39/44/535893944.db2.gz NWPRPYWUDKCBKK-SFHVURJKSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H](O)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000361364467 535965380 /nfs/dbraw/zinc/96/53/80/535965380.db2.gz BZLWGKWNDPLCGA-IBGZPJMESA-N 2 1 304.478 2.834 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H]1C ZINC000354511916 536317575 /nfs/dbraw/zinc/31/75/75/536317575.db2.gz NYCPNPKGPKIKBD-CWRNSKLLSA-N 2 1 307.438 2.539 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000261555957 536323185 /nfs/dbraw/zinc/32/31/85/536323185.db2.gz VLWCOWBHMAKGED-UHFFFAOYSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+](CCC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261555957 536323188 /nfs/dbraw/zinc/32/31/88/536323188.db2.gz VLWCOWBHMAKGED-UHFFFAOYSA-N 3 1 315.505 2.973 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261555957 536323190 /nfs/dbraw/zinc/32/31/90/536323190.db2.gz VLWCOWBHMAKGED-UHFFFAOYSA-N 3 1 315.505 2.973 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)CC1 ZINC000355047109 536349095 /nfs/dbraw/zinc/34/90/95/536349095.db2.gz XJDXKTYAGDFKIK-UHFFFAOYSA-N 2 1 316.474 2.994 20 0 DFADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)CC1(O)CCC1 ZINC000355363168 536480571 /nfs/dbraw/zinc/48/05/71/536480571.db2.gz KAECKRNMGVFFPJ-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)CC1(O)CCC1 ZINC000355363168 536480573 /nfs/dbraw/zinc/48/05/73/536480573.db2.gz KAECKRNMGVFFPJ-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CC1(O)CCC1 ZINC000355363168 536480575 /nfs/dbraw/zinc/48/05/75/536480575.db2.gz KAECKRNMGVFFPJ-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CC1(O)CCC1 ZINC000355363168 536480576 /nfs/dbraw/zinc/48/05/76/536480576.db2.gz KAECKRNMGVFFPJ-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2c[nH]nc2-c2ccccc2F)C1 ZINC000680932859 545565873 /nfs/dbraw/zinc/56/58/73/545565873.db2.gz QBYKXEFHDGZKTC-MLGOLLRUSA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2c[nH]nc2-c2ccccc2F)C1 ZINC000680932859 545565877 /nfs/dbraw/zinc/56/58/77/545565877.db2.gz QBYKXEFHDGZKTC-MLGOLLRUSA-N 2 1 302.397 2.646 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000681411335 545639224 /nfs/dbraw/zinc/63/92/24/545639224.db2.gz VXQGUJYEIXJDNN-FPAYPSAMSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000681411335 545639228 /nfs/dbraw/zinc/63/92/28/545639228.db2.gz VXQGUJYEIXJDNN-FPAYPSAMSA-N 2 1 304.478 2.894 20 0 DFADMP CO[C@]1(C(F)(F)F)CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000682036920 545780052 /nfs/dbraw/zinc/78/00/52/545780052.db2.gz HLWVPRHBWQGXBA-UONOGXRCSA-N 2 1 308.388 2.904 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682076609 545790912 /nfs/dbraw/zinc/79/09/12/545790912.db2.gz XPDFFBOGTLNUTK-UYAOXDASSA-N 2 1 313.489 2.776 20 0 DFADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000682913730 545939912 /nfs/dbraw/zinc/93/99/12/545939912.db2.gz FHMWTEFKVNHTCP-FPMFFAJLSA-N 2 1 308.388 2.542 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000684022078 546136894 /nfs/dbraw/zinc/13/68/94/546136894.db2.gz FDWRZENCSPJANR-OAHLLOKOSA-N 2 1 315.461 2.693 20 0 DFADMP CCC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000684768066 546276988 /nfs/dbraw/zinc/27/69/88/546276988.db2.gz FISWOCDPNYIFRY-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000685438619 546349199 /nfs/dbraw/zinc/34/91/99/546349199.db2.gz JXPRWUJVYOTMHS-SFHVURJKSA-N 2 1 318.461 2.772 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](C[C@H](C)C(C)(C)C)CC1 ZINC000685444558 546351216 /nfs/dbraw/zinc/35/12/16/546351216.db2.gz IIMFIROWQUUDTP-INIZCTEOSA-N 2 1 314.514 2.728 20 0 DFADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)C[C@H]1CCOc2ccccc21 ZINC000685464978 546356061 /nfs/dbraw/zinc/35/60/61/546356061.db2.gz FXZXSEQYMNTXKW-HZPDHXFCSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)C[C@H]1CCOc2ccccc21 ZINC000685464978 546356068 /nfs/dbraw/zinc/35/60/68/546356068.db2.gz FXZXSEQYMNTXKW-HZPDHXFCSA-N 2 1 311.429 2.944 20 0 DFADMP CCOC1CC([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685472395 546357929 /nfs/dbraw/zinc/35/79/29/546357929.db2.gz ZONNKXCLHPPXSE-UHFFFAOYSA-N 2 1 306.450 2.626 20 0 DFADMP CC(C)[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566928 546368369 /nfs/dbraw/zinc/36/83/69/546368369.db2.gz RVZKXINFXRFYTB-HKUYNNGSSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566928 546368371 /nfs/dbraw/zinc/36/83/71/546368371.db2.gz RVZKXINFXRFYTB-HKUYNNGSSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685566928 546368372 /nfs/dbraw/zinc/36/83/72/546368372.db2.gz RVZKXINFXRFYTB-HKUYNNGSSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685566928 546368374 /nfs/dbraw/zinc/36/83/74/546368374.db2.gz RVZKXINFXRFYTB-HKUYNNGSSA-N 2 1 302.462 2.697 20 0 DFADMP Oc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc(C(F)(F)F)c1 ZINC000685614439 546376000 /nfs/dbraw/zinc/37/60/00/546376000.db2.gz RRCSIQKNWGRIFL-GFCCVEGCSA-N 2 1 311.307 2.712 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CCSC3)c2)CCO1 ZINC000278317117 214086070 /nfs/dbraw/zinc/08/60/70/214086070.db2.gz DOSNRFVXHLRXEZ-QAPCUYQASA-N 2 1 320.502 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CCSC3)c2)CCO1 ZINC000278317117 214086073 /nfs/dbraw/zinc/08/60/73/214086073.db2.gz DOSNRFVXHLRXEZ-QAPCUYQASA-N 2 1 320.502 2.750 20 0 DFADMP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000278343432 214102215 /nfs/dbraw/zinc/10/22/15/214102215.db2.gz AJZHCPWTHHANLH-HNAYVOBHSA-N 2 1 320.452 2.847 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCOC2)CC1 ZINC000162134681 197546717 /nfs/dbraw/zinc/54/67/17/197546717.db2.gz GCGBZAZJIQDCRL-WMZOPIPTSA-N 2 1 302.462 2.974 20 0 DFADMP C=Cn1cc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cn1 ZINC000278374016 214123926 /nfs/dbraw/zinc/12/39/26/214123926.db2.gz LAHODOXQPFAJNO-INIZCTEOSA-N 2 1 311.433 2.814 20 0 DFADMP C=Cn1cc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)cn1 ZINC000278374016 214123929 /nfs/dbraw/zinc/12/39/29/214123929.db2.gz LAHODOXQPFAJNO-INIZCTEOSA-N 2 1 311.433 2.814 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccccc32)CCCO1 ZINC000278608234 214272757 /nfs/dbraw/zinc/27/27/57/214272757.db2.gz RDRJGBHNUZBNMH-SJLPKXTDSA-N 2 1 318.461 2.991 20 0 DFADMP C[C@@H]1C[N@H+](C2CCOCC2)CCN1c1cc[nH+]c2ccccc21 ZINC000278649075 214301162 /nfs/dbraw/zinc/30/11/62/214301162.db2.gz BCDNVGNAHCNWDN-OAHLLOKOSA-N 2 1 311.429 2.924 20 0 DFADMP OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000305861046 231076745 /nfs/dbraw/zinc/07/67/45/231076745.db2.gz LUHLBRUZSLPQSK-RDLPGAODSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000309697578 231102735 /nfs/dbraw/zinc/10/27/35/231102735.db2.gz FLABFVJRIGUMIV-WDSOQIARSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000309879445 231107196 /nfs/dbraw/zinc/10/71/96/231107196.db2.gz YQNOEBFAVBGANP-FUHWJXTLSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC000309879445 231107199 /nfs/dbraw/zinc/10/71/99/231107199.db2.gz YQNOEBFAVBGANP-FUHWJXTLSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000081534430 398357650 /nfs/dbraw/zinc/35/76/50/398357650.db2.gz XMNGROZXPYVHHX-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000081634557 398364734 /nfs/dbraw/zinc/36/47/34/398364734.db2.gz ZLCKFRKLCDDGOI-MRXNPFEDSA-N 2 1 306.425 2.868 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000081634557 398364736 /nfs/dbraw/zinc/36/47/36/398364736.db2.gz ZLCKFRKLCDDGOI-MRXNPFEDSA-N 2 1 306.425 2.868 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000081634557 398364740 /nfs/dbraw/zinc/36/47/40/398364740.db2.gz ZLCKFRKLCDDGOI-MRXNPFEDSA-N 2 1 306.425 2.868 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000081634557 398364743 /nfs/dbraw/zinc/36/47/43/398364743.db2.gz ZLCKFRKLCDDGOI-MRXNPFEDSA-N 2 1 306.425 2.868 20 0 DFADMP CCc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000302500955 529535166 /nfs/dbraw/zinc/53/51/66/529535166.db2.gz CSIRHCVYBUDBSO-UHFFFAOYSA-N 2 1 313.445 2.690 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237503938 398370826 /nfs/dbraw/zinc/37/08/26/398370826.db2.gz CRCDEIDKHSHSKF-FUHWJXTLSA-N 2 1 317.477 2.847 20 0 DFADMP CC(C)O[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000361238705 534932190 /nfs/dbraw/zinc/93/21/90/534932190.db2.gz QPYBFXNLCYVNBW-IRXDYDNUSA-N 2 1 324.509 2.813 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000368073455 282209104 /nfs/dbraw/zinc/20/91/04/282209104.db2.gz ZXYFXZTVBHMUPS-SJORKVTESA-N 2 1 318.852 2.880 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1CCOC1 ZINC000088734679 185263557 /nfs/dbraw/zinc/26/35/57/185263557.db2.gz JOKBHHNMNGRUNC-KRWDZBQOSA-N 2 1 300.402 2.790 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000090523899 185300282 /nfs/dbraw/zinc/30/02/82/185300282.db2.gz BCQMAWOLGGFCJC-JLSDUUJJSA-N 2 1 303.450 2.500 20 0 DFADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365307635 282254290 /nfs/dbraw/zinc/25/42/90/282254290.db2.gz JGUVIISWFRUPQV-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP COC(=O)CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821378 185343770 /nfs/dbraw/zinc/34/37/70/185343770.db2.gz VQPLHTDZCUFMOV-UHFFFAOYSA-N 2 1 319.449 2.573 20 0 DFADMP CCOC(=O)[C@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821020 185343774 /nfs/dbraw/zinc/34/37/74/185343774.db2.gz CHCTUJWJCMCMPV-HNNXBMFYSA-N 2 1 319.449 2.572 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC000272820629 210220202 /nfs/dbraw/zinc/22/02/02/210220202.db2.gz CZLDEJAVCIUJTF-SJLPKXTDSA-N 2 1 320.477 2.891 20 0 DFADMP CC(C)[C@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000459410167 299098960 /nfs/dbraw/zinc/09/89/60/299098960.db2.gz BZBFFHGIFUYAMR-RBUKOAKNSA-N 2 1 301.478 2.533 20 0 DFADMP CC(C)[C@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000459410167 299098963 /nfs/dbraw/zinc/09/89/63/299098963.db2.gz BZBFFHGIFUYAMR-RBUKOAKNSA-N 2 1 301.478 2.533 20 0 DFADMP CC(C)[C@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000459410167 299098965 /nfs/dbraw/zinc/09/89/65/299098965.db2.gz BZBFFHGIFUYAMR-RBUKOAKNSA-N 2 1 301.478 2.533 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H]1SC ZINC000459427344 299103504 /nfs/dbraw/zinc/10/35/04/299103504.db2.gz NCJRTEJTLVRNEQ-JONQDZQNSA-N 2 1 300.512 2.605 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)o1 ZINC000592433628 398425739 /nfs/dbraw/zinc/42/57/39/398425739.db2.gz MOCJTZCNCLQNFW-LSDHHAIUSA-N 2 1 320.433 2.668 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1[NH2+]CCCC1(C)C)C1CCCCC1 ZINC000319624545 529891225 /nfs/dbraw/zinc/89/12/25/529891225.db2.gz FSJAHEOPKTZIJL-MRXNPFEDSA-N 2 1 309.498 2.535 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000263240711 398434157 /nfs/dbraw/zinc/43/41/57/398434157.db2.gz GGBIDKKKHIYRAD-FUHWJXTLSA-N 2 1 323.525 2.783 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC000292859774 530006215 /nfs/dbraw/zinc/00/62/15/530006215.db2.gz GSISHDXBQCXHDH-IBGZPJMESA-N 2 1 317.477 2.652 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC2CCOCC2)C1 ZINC000292859774 530006216 /nfs/dbraw/zinc/00/62/16/530006216.db2.gz GSISHDXBQCXHDH-IBGZPJMESA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000292859774 530006217 /nfs/dbraw/zinc/00/62/17/530006217.db2.gz GSISHDXBQCXHDH-IBGZPJMESA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000292859774 530006218 /nfs/dbraw/zinc/00/62/18/530006218.db2.gz GSISHDXBQCXHDH-IBGZPJMESA-N 2 1 317.477 2.652 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2CC[NH+](C3CC3)CC2)C1 ZINC000459464201 299112949 /nfs/dbraw/zinc/11/29/49/299112949.db2.gz IGMPRVZZLMGWCM-IYBDPMFKSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459466172 299113453 /nfs/dbraw/zinc/11/34/53/299113453.db2.gz OSCLWSOCZSIQLX-HZPDHXFCSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459466172 299113456 /nfs/dbraw/zinc/11/34/56/299113456.db2.gz OSCLWSOCZSIQLX-HZPDHXFCSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459466172 299113458 /nfs/dbraw/zinc/11/34/58/299113458.db2.gz OSCLWSOCZSIQLX-HZPDHXFCSA-N 2 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@@H]2CCC[C@@H]21 ZINC000586791444 398460311 /nfs/dbraw/zinc/46/03/11/398460311.db2.gz CNPBVBYWEWYDPS-JYJNAYRXSA-N 2 1 310.482 2.961 20 0 DFADMP OCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC(c2ccccc2)C1 ZINC000459499041 299121344 /nfs/dbraw/zinc/12/13/44/299121344.db2.gz DCVQZYYRWSKGPN-UHFFFAOYSA-N 2 1 314.473 2.759 20 0 DFADMP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000090716429 398491918 /nfs/dbraw/zinc/49/19/18/398491918.db2.gz SFENRNQBONSZNL-LJQANCHMSA-N 2 1 320.452 2.847 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090888326 398495814 /nfs/dbraw/zinc/49/58/14/398495814.db2.gz LJNCNAURCIFYFW-DLBZAZTESA-N 2 1 318.461 2.853 20 0 DFADMP Cc1ccoc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000272701285 210106887 /nfs/dbraw/zinc/10/68/87/210106887.db2.gz GJFFSMWPIRGKEH-GOSISDBHSA-N 2 1 314.429 2.835 20 0 DFADMP Cc1ccoc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000272701285 210106890 /nfs/dbraw/zinc/10/68/90/210106890.db2.gz GJFFSMWPIRGKEH-GOSISDBHSA-N 2 1 314.429 2.835 20 0 DFADMP OCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000279612119 215004834 /nfs/dbraw/zinc/00/48/34/215004834.db2.gz QZGQBOJMUJVGIK-GBESFXJTSA-N 2 1 302.462 2.649 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C(C)(C)CN(C)Cc1ccccc1 ZINC000091075513 398507984 /nfs/dbraw/zinc/50/79/84/398507984.db2.gz DROOLPWXPGXXNK-UHFFFAOYSA-N 2 1 300.450 2.692 20 0 DFADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000459558118 299132891 /nfs/dbraw/zinc/13/28/91/299132891.db2.gz HWOMKOOTKTYSMI-CYBMUJFWSA-N 2 1 308.853 2.632 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000272662359 210066885 /nfs/dbraw/zinc/06/68/85/210066885.db2.gz IGYKJEJUIXMDDT-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000272662359 210066890 /nfs/dbraw/zinc/06/68/90/210066890.db2.gz IGYKJEJUIXMDDT-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000272662359 210066892 /nfs/dbraw/zinc/06/68/92/210066892.db2.gz IGYKJEJUIXMDDT-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261987147 282507119 /nfs/dbraw/zinc/50/71/19/282507119.db2.gz SFMMIAYIJHOGTF-GVDBMIGSSA-N 2 1 308.853 2.629 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](c2cccnc2)C(C)C)CC1 ZINC000091285199 398524924 /nfs/dbraw/zinc/52/49/24/398524924.db2.gz AGHGGFDXQRVXNR-LJQANCHMSA-N 2 1 318.509 2.786 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000091333483 398526234 /nfs/dbraw/zinc/52/62/34/398526234.db2.gz JXMAVTKPHGPREV-BHIYHBOVSA-N 2 1 318.461 2.845 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000091333483 398526237 /nfs/dbraw/zinc/52/62/37/398526237.db2.gz JXMAVTKPHGPREV-BHIYHBOVSA-N 2 1 318.461 2.845 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)cn1 ZINC000414128308 295770207 /nfs/dbraw/zinc/77/02/07/295770207.db2.gz GWRHEEDALXIHJX-JKSUJKDBSA-N 2 1 305.466 2.875 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC([N@H+](C)Cc3ccccc3)C2)c1 ZINC000459592094 299143290 /nfs/dbraw/zinc/14/32/90/299143290.db2.gz MOBQGBHPXSNMFZ-UHFFFAOYSA-N 2 1 311.429 2.715 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC([N@@H+](C)Cc3ccccc3)C2)c1 ZINC000459592094 299143294 /nfs/dbraw/zinc/14/32/94/299143294.db2.gz MOBQGBHPXSNMFZ-UHFFFAOYSA-N 2 1 311.429 2.715 20 0 DFADMP CC(C)(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000597027562 398550628 /nfs/dbraw/zinc/55/06/28/398550628.db2.gz FFAVWLMWVXYGOD-AWEZNQCLSA-N 2 1 319.449 2.773 20 0 DFADMP CC(C)(C)OC(=O)C[C@@H]1CCCN(Cc2cnc3n2CCC3)C1 ZINC000597027562 398550629 /nfs/dbraw/zinc/55/06/29/398550629.db2.gz FFAVWLMWVXYGOD-AWEZNQCLSA-N 2 1 319.449 2.773 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000597051659 398556733 /nfs/dbraw/zinc/55/67/33/398556733.db2.gz WJGSRTFMNSAIDR-ZDUSSCGKSA-N 2 1 322.836 2.701 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC2CC2)C2CCCCC2)CC1 ZINC000069608137 398577481 /nfs/dbraw/zinc/57/74/81/398577481.db2.gz HDIWRVGWWTUWSF-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)n(C)nc1C(C)C ZINC000069754443 398583145 /nfs/dbraw/zinc/58/31/45/398583145.db2.gz SAMGAFVCKMDKTI-UHFFFAOYSA-N 2 1 309.845 2.882 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1)O[C@@H](C)C2 ZINC000069752033 398583234 /nfs/dbraw/zinc/58/32/34/398583234.db2.gz DRFWTLBGIWWTIV-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1SC ZINC000597209210 398590973 /nfs/dbraw/zinc/59/09/73/398590973.db2.gz RDNZYDKVQBICRA-LLLHUVSDSA-N 2 1 312.523 2.892 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1SC ZINC000597209210 398590976 /nfs/dbraw/zinc/59/09/76/398590976.db2.gz RDNZYDKVQBICRA-LLLHUVSDSA-N 2 1 312.523 2.892 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092720540 398597512 /nfs/dbraw/zinc/59/75/12/398597512.db2.gz DFURFRPWXFPZLR-HNNXBMFYSA-N 2 1 317.477 2.500 20 0 DFADMP CCC[C@H](C(=O)Nc1cccc2c1CC[N@@H+](CC)C2)[NH+](C)C ZINC000092762296 398599996 /nfs/dbraw/zinc/59/99/96/398599996.db2.gz CHDKFEUTHXSCAG-QGZVFWFLSA-N 2 1 303.450 2.733 20 0 DFADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000597243732 398604730 /nfs/dbraw/zinc/60/47/30/398604730.db2.gz VPGWYAIFJYOVPR-VDHUWJSZSA-N 2 1 316.445 2.581 20 0 DFADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000597243732 398604733 /nfs/dbraw/zinc/60/47/33/398604733.db2.gz VPGWYAIFJYOVPR-VDHUWJSZSA-N 2 1 316.445 2.581 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152407901 186069093 /nfs/dbraw/zinc/06/90/93/186069093.db2.gz DSQWRCJCJANGPJ-HOTGVXAUSA-N 2 1 318.461 2.847 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700715 186104468 /nfs/dbraw/zinc/10/44/68/186104468.db2.gz WIUQGLOXSRNGRW-IDCNUPLLSA-N 2 1 317.477 2.529 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700830 186104624 /nfs/dbraw/zinc/10/46/24/186104624.db2.gz WIUQGLOXSRNGRW-LMSBXDPUSA-N 2 1 317.477 2.529 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155844164 186117789 /nfs/dbraw/zinc/11/77/89/186117789.db2.gz PZTIVRKURBICNY-GDBMZVCRSA-N 2 1 300.450 2.807 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000164145927 186150638 /nfs/dbraw/zinc/15/06/38/186150638.db2.gz JELDEUMTGNDPDU-MRXNPFEDSA-N 2 1 305.466 2.516 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC(=O)NC(C)C)cc1 ZINC000177867007 186195660 /nfs/dbraw/zinc/19/56/60/186195660.db2.gz AQZMIHJGCUZRAD-AWEZNQCLSA-N 2 1 314.433 2.746 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2cccnc2)CC1 ZINC000179678095 186203897 /nfs/dbraw/zinc/20/38/97/186203897.db2.gz KLAJETXXPJEHTL-UHFFFAOYSA-N 2 1 319.493 2.695 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770556 398644498 /nfs/dbraw/zinc/64/44/98/398644498.db2.gz ZZQRHOAZZLLDSY-QGZVFWFLSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770556 398644500 /nfs/dbraw/zinc/64/45/00/398644500.db2.gz ZZQRHOAZZLLDSY-QGZVFWFLSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770556 398644503 /nfs/dbraw/zinc/64/45/03/398644503.db2.gz ZZQRHOAZZLLDSY-QGZVFWFLSA-N 2 1 312.461 2.861 20 0 DFADMP COC(=O)CCC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189951607 186254151 /nfs/dbraw/zinc/25/41/51/186254151.db2.gz NDQAWHNRCKIVAC-MCPYQZEQSA-N 2 1 318.461 2.686 20 0 DFADMP C[C@H](CCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000237459187 186292944 /nfs/dbraw/zinc/29/29/44/186292944.db2.gz LJGRVHGMECPJSP-BPQIPLTHSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000237509278 186299701 /nfs/dbraw/zinc/29/97/01/186299701.db2.gz MYJXCTPWUYRVTJ-IYBDPMFKSA-N 2 1 317.477 2.633 20 0 DFADMP COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000266835003 186353781 /nfs/dbraw/zinc/35/37/81/186353781.db2.gz FKXCZQIKDJWYEW-BPUTZDHNSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@@H]23)cc1OC ZINC000266835003 186353783 /nfs/dbraw/zinc/35/37/83/186353783.db2.gz FKXCZQIKDJWYEW-BPUTZDHNSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(OC)c1OC ZINC000459724443 299173392 /nfs/dbraw/zinc/17/33/92/299173392.db2.gz DQXUEWMVTUDZSA-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP Cc1noc(C[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)c2ccccc2)n1 ZINC000277248990 213395488 /nfs/dbraw/zinc/39/54/88/213395488.db2.gz QBNUZTDKRFAWGO-IAGOWNOFSA-N 2 1 314.433 2.736 20 0 DFADMP Cc1noc(C[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)c2ccccc2)n1 ZINC000277248990 213395490 /nfs/dbraw/zinc/39/54/90/213395490.db2.gz QBNUZTDKRFAWGO-IAGOWNOFSA-N 2 1 314.433 2.736 20 0 DFADMP COCCOCc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459732462 299175733 /nfs/dbraw/zinc/17/57/33/299175733.db2.gz FZEVJLUKSXDXQT-SFHVURJKSA-N 2 1 320.477 2.671 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000414804920 295821006 /nfs/dbraw/zinc/82/10/06/295821006.db2.gz YGLHYFLDXOSJMN-TVQRCGJNSA-N 2 1 301.203 2.805 20 0 DFADMP COc1sc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cc1Br ZINC000414823493 295822344 /nfs/dbraw/zinc/82/23/44/295822344.db2.gz DMBOQBRUZNKQBM-SECBINFHSA-N 2 1 319.268 2.608 20 0 DFADMP CSc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)OCCO2 ZINC000414832538 295823558 /nfs/dbraw/zinc/82/35/58/295823558.db2.gz QSOJIFXFEHILQP-PBWFPOADSA-N 2 1 320.458 2.552 20 0 DFADMP Cn1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(-c2cccs2)n1 ZINC000459742387 299179145 /nfs/dbraw/zinc/17/91/45/299179145.db2.gz WBNJMDXJYLPFSG-AWEZNQCLSA-N 2 1 318.490 2.970 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414846242 295825453 /nfs/dbraw/zinc/82/54/53/295825453.db2.gz ULELHQPPKRIOHO-IBGZPJMESA-N 3 1 315.505 2.673 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000414856031 295826689 /nfs/dbraw/zinc/82/66/89/295826689.db2.gz XZHQTZLHVRLMBJ-KRWDZBQOSA-N 2 1 323.525 2.911 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1O ZINC000277221175 213375924 /nfs/dbraw/zinc/37/59/24/213375924.db2.gz MBEWEDKSGBLIFV-AWEZNQCLSA-N 2 1 304.434 2.573 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C[C@@H]1C ZINC000593647343 398664664 /nfs/dbraw/zinc/66/46/64/398664664.db2.gz XPECNBJOPFZKAI-GVDBMIGSSA-N 2 1 312.498 2.922 20 0 DFADMP C[C@]1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCC[NH2+]C1 ZINC000414903058 295832620 /nfs/dbraw/zinc/83/26/20/295832620.db2.gz HWDKJXRWMBPYPS-SFHVURJKSA-N 2 1 316.424 2.550 20 0 DFADMP CCOC(=O)N(C)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000120495616 282788735 /nfs/dbraw/zinc/78/87/35/282788735.db2.gz WIXMKTXLPSYECX-UHFFFAOYSA-N 2 1 322.453 2.524 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000414916791 295834434 /nfs/dbraw/zinc/83/44/34/295834434.db2.gz PBWQQFZNXMNETM-GFCCVEGCSA-N 2 1 300.349 2.528 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414916420 295834617 /nfs/dbraw/zinc/83/46/17/295834617.db2.gz PNDQLNUEFNBEIL-SFHVURJKSA-N 2 1 316.424 2.799 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000459762700 299184660 /nfs/dbraw/zinc/18/46/60/299184660.db2.gz UGTLGXQTLHPVOM-HNNXBMFYSA-N 2 1 316.449 2.601 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000277189813 213355543 /nfs/dbraw/zinc/35/55/43/213355543.db2.gz IQAYOVZOXSSZFG-AEFFLSMTSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000277189813 213355547 /nfs/dbraw/zinc/35/55/47/213355547.db2.gz IQAYOVZOXSSZFG-AEFFLSMTSA-N 2 1 318.461 2.640 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277187223 213352801 /nfs/dbraw/zinc/35/28/01/213352801.db2.gz IJAZBIQXVYAYES-HOCLYGCPSA-N 2 1 306.450 2.653 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414950687 295839608 /nfs/dbraw/zinc/83/96/08/295839608.db2.gz GHMGDQKUHSMWIW-ZWNOBZJWSA-N 2 1 313.239 2.545 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000590786988 398673782 /nfs/dbraw/zinc/67/37/82/398673782.db2.gz PYVHIRVPEYCZCV-UHFFFAOYSA-N 2 1 321.440 2.816 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000590786988 398673786 /nfs/dbraw/zinc/67/37/86/398673786.db2.gz PYVHIRVPEYCZCV-UHFFFAOYSA-N 2 1 321.440 2.816 20 0 DFADMP CCCCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786151 398674065 /nfs/dbraw/zinc/67/40/65/398674065.db2.gz DAKJPYLYUNYAPM-MRXNPFEDSA-N 2 1 311.514 2.734 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1O ZINC000277165688 213340627 /nfs/dbraw/zinc/34/06/27/213340627.db2.gz GGPXCATVMPNRLD-GOEBONIOSA-N 2 1 318.461 2.796 20 0 DFADMP FC(F)Oc1cccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000414996509 295845322 /nfs/dbraw/zinc/84/53/22/295845322.db2.gz GLABXUWYQHPXND-LLVKDONJSA-N 2 1 306.303 2.622 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459781799 299191231 /nfs/dbraw/zinc/19/12/31/299191231.db2.gz MMGHIHDVZUCIDI-VVLHAWIVSA-N 2 1 310.482 2.676 20 0 DFADMP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)s1 ZINC000415010095 295847177 /nfs/dbraw/zinc/84/71/77/295847177.db2.gz XZRHBKNPBHAHAA-JTQLQIEISA-N 2 1 303.422 2.775 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H]2COc3ccccc3O2)CC1 ZINC000590818852 398681021 /nfs/dbraw/zinc/68/10/21/398681021.db2.gz AHUCECXUTBVLCO-KRWDZBQOSA-N 2 1 318.461 2.879 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000415025150 295848249 /nfs/dbraw/zinc/84/82/49/295848249.db2.gz QLDATLGRHKHWSA-HNNXBMFYSA-N 3 1 307.457 2.550 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ncc(Br)s2)C1 ZINC000459791899 299193799 /nfs/dbraw/zinc/19/37/99/299193799.db2.gz SCEZDYONJIXYTQ-SNVBAGLBSA-N 2 1 318.284 2.727 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000173362222 198206839 /nfs/dbraw/zinc/20/68/39/198206839.db2.gz BLJJSPORPVFCQY-ZBFHGGJFSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000173362222 198206840 /nfs/dbraw/zinc/20/68/40/198206840.db2.gz BLJJSPORPVFCQY-ZBFHGGJFSA-N 2 1 306.450 2.914 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000173391678 198210095 /nfs/dbraw/zinc/21/00/95/198210095.db2.gz WROWULJARBLIPU-CQSZACIVSA-N 2 1 311.420 2.643 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000401696570 398688197 /nfs/dbraw/zinc/68/81/97/398688197.db2.gz KZNGULNYWLWSTF-UHFFFAOYSA-N 2 1 309.417 2.555 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415071535 295854435 /nfs/dbraw/zinc/85/44/35/295854435.db2.gz WMCQFOFJRRLADE-CJNGLKHVSA-N 2 1 306.450 2.742 20 0 DFADMP Clc1cc(C[NH2+]CCC[NH2+]C2CC2)cc2c1OCCCO2 ZINC000415070507 295854477 /nfs/dbraw/zinc/85/44/77/295854477.db2.gz QQAADBLEBJZZAB-UHFFFAOYSA-N 2 1 310.825 2.733 20 0 DFADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000415081785 295855498 /nfs/dbraw/zinc/85/54/98/295855498.db2.gz LAYDMVNVZMLFSF-WCQYABFASA-N 2 1 317.355 2.643 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccncc1 ZINC000173821859 198256845 /nfs/dbraw/zinc/25/68/45/198256845.db2.gz IOROBWQCQUKRSC-MRXNPFEDSA-N 2 1 311.429 2.765 20 0 DFADMP CCCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000105477096 398693563 /nfs/dbraw/zinc/69/35/63/398693563.db2.gz IMMXGEONRMCJKQ-UHFFFAOYSA-N 2 1 319.493 2.593 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(F)cc1Br)[C@H]1CC[NH2+]C1 ZINC000415100431 295857685 /nfs/dbraw/zinc/85/76/85/295857685.db2.gz GPUSGOFWEPKLKC-UWVGGRQHSA-N 2 1 301.203 2.676 20 0 DFADMP CC(C)(C)OC(=O)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000174432329 198335201 /nfs/dbraw/zinc/33/52/01/198335201.db2.gz MOCPTLIFHPDEJN-UHFFFAOYSA-N 2 1 318.461 2.972 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000415130806 295862577 /nfs/dbraw/zinc/86/25/77/295862577.db2.gz XWGDIGXPGLRIFQ-ZBFHGGJFSA-N 2 1 323.506 2.985 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236795769 202014007 /nfs/dbraw/zinc/01/40/07/202014007.db2.gz IDFVLCRHLZIRFE-PBHICJAKSA-N 2 1 303.450 2.840 20 0 DFADMP COC(=O)[C@H](C)[C@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000129194688 283005821 /nfs/dbraw/zinc/00/58/21/283005821.db2.gz ATPYJZWVTFHFDL-PVAVHDDUSA-N 2 1 304.434 2.611 20 0 DFADMP COC(=O)[C@H](C)[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000129194688 283005824 /nfs/dbraw/zinc/00/58/24/283005824.db2.gz ATPYJZWVTFHFDL-PVAVHDDUSA-N 2 1 304.434 2.611 20 0 DFADMP COC(=O)[C@H](C)[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000129194688 283005827 /nfs/dbraw/zinc/00/58/27/283005827.db2.gz ATPYJZWVTFHFDL-PVAVHDDUSA-N 2 1 304.434 2.611 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC000591097017 398726747 /nfs/dbraw/zinc/72/67/47/398726747.db2.gz LUOQRRZGNQVRKZ-DOTOQJQBSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000591097017 398726750 /nfs/dbraw/zinc/72/67/50/398726750.db2.gz LUOQRRZGNQVRKZ-DOTOQJQBSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000591097017 398726754 /nfs/dbraw/zinc/72/67/54/398726754.db2.gz LUOQRRZGNQVRKZ-DOTOQJQBSA-N 2 1 315.461 2.951 20 0 DFADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)ccc1OC ZINC000073381054 191310797 /nfs/dbraw/zinc/31/07/97/191310797.db2.gz KGSCKPHNRKCWJI-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000133037670 283137787 /nfs/dbraw/zinc/13/77/87/283137787.db2.gz QSJPQYIMFGBLMY-HNNXBMFYSA-N 2 1 322.453 2.571 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@@H]2CCC[C@@H]21 ZINC000353630056 283138811 /nfs/dbraw/zinc/13/88/11/283138811.db2.gz LTXXMOADTCSZPD-MBGYTDRXSA-N 2 1 320.502 2.998 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591582990 398773907 /nfs/dbraw/zinc/77/39/07/398773907.db2.gz XEXLBQICTNCPCC-YPMHNXCESA-N 2 1 308.447 2.860 20 0 DFADMP CCO[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000119030836 398773919 /nfs/dbraw/zinc/77/39/19/398773919.db2.gz RNOOWJOBTKSEML-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)on1 ZINC000591709006 398781507 /nfs/dbraw/zinc/78/15/07/398781507.db2.gz GIKODVITOBLECD-UHFFFAOYSA-N 2 1 303.406 2.603 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000236938166 202080808 /nfs/dbraw/zinc/08/08/08/202080808.db2.gz XOLCDUSFGPCIQI-MRXNPFEDSA-N 2 1 323.525 2.783 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236947948 202087796 /nfs/dbraw/zinc/08/77/96/202087796.db2.gz KKKDJEPTALZLPI-PBHICJAKSA-N 2 1 305.466 2.516 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]C)cc1)C(C)C ZINC000236993011 202112180 /nfs/dbraw/zinc/11/21/80/202112180.db2.gz ABOPHDYAVMFKRX-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CCC[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000359185037 283215716 /nfs/dbraw/zinc/21/57/16/283215716.db2.gz FHRWYKRAKBUSNT-KRWDZBQOSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000177956130 198794612 /nfs/dbraw/zinc/79/46/12/198794612.db2.gz DHEFZULVKBHMQS-JKIFEVAISA-N 2 1 306.450 2.565 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237217244 202193929 /nfs/dbraw/zinc/19/39/29/202193929.db2.gz ZXEHVJCNFPECNR-CVEARBPZSA-N 2 1 317.477 2.533 20 0 DFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000331442988 283265230 /nfs/dbraw/zinc/26/52/30/283265230.db2.gz VZDCGJCDHXBQRX-UKRRQHHQSA-N 2 1 305.422 2.884 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000331442988 283265236 /nfs/dbraw/zinc/26/52/36/283265236.db2.gz VZDCGJCDHXBQRX-UKRRQHHQSA-N 2 1 305.422 2.884 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C(C)C)C2CCCCC2)CC1 ZINC000150946885 283271893 /nfs/dbraw/zinc/27/18/93/283271893.db2.gz CBARNXZSHLNGCO-UHFFFAOYSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330036 283281389 /nfs/dbraw/zinc/28/13/89/283281389.db2.gz WFKFVUFHWANSGD-MDZRGWNJSA-N 3 1 312.461 2.750 20 0 DFADMP CS[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000594494441 398808613 /nfs/dbraw/zinc/80/86/13/398808613.db2.gz BHVLFSPYHRYFKC-YESZJQIVSA-N 2 1 312.523 2.894 20 0 DFADMP CCSCC[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594495493 398809745 /nfs/dbraw/zinc/80/97/45/398809745.db2.gz AOCPOCXRYDWXJF-GOEBONIOSA-N 2 1 300.512 2.751 20 0 DFADMP CS[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000594499184 398810272 /nfs/dbraw/zinc/81/02/72/398810272.db2.gz DUHWQXXFMDETDY-HUUCEWRRSA-N 2 1 300.512 2.607 20 0 DFADMP CS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594506851 398812196 /nfs/dbraw/zinc/81/21/96/398812196.db2.gz FTRSNJDEOAYWAK-BRWVUGGUSA-N 2 1 312.523 2.894 20 0 DFADMP CSCc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000594501433 398810995 /nfs/dbraw/zinc/81/09/95/398810995.db2.gz WCARGYDFWNAHLR-SFHVURJKSA-N 2 1 320.502 2.893 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000179500326 199046046 /nfs/dbraw/zinc/04/60/46/199046046.db2.gz WHWSVIDUYFBCSQ-HRCADAONSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000179500326 199046048 /nfs/dbraw/zinc/04/60/48/199046048.db2.gz WHWSVIDUYFBCSQ-HRCADAONSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000179503008 199045946 /nfs/dbraw/zinc/04/59/46/199045946.db2.gz NPNNYWPDCNWMOL-GMXABZIVSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000179503008 199045948 /nfs/dbraw/zinc/04/59/48/199045948.db2.gz NPNNYWPDCNWMOL-GMXABZIVSA-N 2 1 300.805 2.585 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000179507524 199047672 /nfs/dbraw/zinc/04/76/72/199047672.db2.gz SBGUYRISICUGBK-YQQAZPJKSA-N 2 1 320.477 2.955 20 0 DFADMP CCOC(=O)[C@H]([NH2+]C[C@@H]1CC[NH2+][C@H](C)C1)C1CCCCCC1 ZINC000594583213 398824564 /nfs/dbraw/zinc/82/45/64/398824564.db2.gz BWIYMGBPYQVMMG-BFYDXBDKSA-N 2 1 310.482 2.866 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)C(C)C)CC1 ZINC000052208732 398835982 /nfs/dbraw/zinc/83/59/82/398835982.db2.gz KXISCTJDFUQPQQ-INIZCTEOSA-N 2 1 311.514 2.591 20 0 DFADMP Cc1ccc(F)cc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000180103732 199117675 /nfs/dbraw/zinc/11/76/75/199117675.db2.gz XXIGYDMSTVHPMK-OAHLLOKOSA-N 2 1 308.441 2.659 20 0 DFADMP Cc1ccc(F)cc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000180103747 199117834 /nfs/dbraw/zinc/11/78/34/199117834.db2.gz XXIGYDMSTVHPMK-HNNXBMFYSA-N 2 1 308.441 2.659 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180134006 199121126 /nfs/dbraw/zinc/12/11/26/199121126.db2.gz ITZCHVSKMRGHKJ-OAHLLOKOSA-N 2 1 315.465 2.714 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180134006 199121127 /nfs/dbraw/zinc/12/11/27/199121127.db2.gz ITZCHVSKMRGHKJ-OAHLLOKOSA-N 2 1 315.465 2.714 20 0 DFADMP OC[C@H]1C=C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000180176238 199126789 /nfs/dbraw/zinc/12/67/89/199126789.db2.gz OXLFWRLEGYHBGL-WSCSCYJOSA-N 2 1 312.457 2.709 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153514006 283371870 /nfs/dbraw/zinc/37/18/70/283371870.db2.gz SNUIBLVQZXPTKM-AWEZNQCLSA-N 2 1 324.440 2.986 20 0 DFADMP C[C@H](CSCCF)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595019668 398893348 /nfs/dbraw/zinc/89/33/48/398893348.db2.gz PBOCNVQTFDSPBK-KFWWJZLASA-N 2 1 306.491 2.557 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000598953058 398896122 /nfs/dbraw/zinc/89/61/22/398896122.db2.gz SFQUKTXOASLJIF-UHFFFAOYSA-N 2 1 321.465 2.772 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H](C)c1ccccc1 ZINC000128277625 299292963 /nfs/dbraw/zinc/29/29/63/299292963.db2.gz LDOWLQIASHMEMA-MSOLQXFVSA-N 2 1 303.494 2.796 20 0 DFADMP CN1c2ccc(C[NH2+]CCC[NH+]3CCCCC3)cc2CCC1=O ZINC000187102908 200061946 /nfs/dbraw/zinc/06/19/46/200061946.db2.gz YPEQQRFUBPTUJK-UHFFFAOYSA-N 2 1 315.461 2.561 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019010 216025433 /nfs/dbraw/zinc/02/54/33/216025433.db2.gz ZDZAGPZHVDXTEA-SFHVURJKSA-N 2 1 302.462 2.970 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000599025548 398909759 /nfs/dbraw/zinc/90/97/59/398909759.db2.gz BWHUYPWUIBBZTQ-CGZBRXJRSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)CC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CC1 ZINC000599035892 398910919 /nfs/dbraw/zinc/91/09/19/398910919.db2.gz VKOKOCZFCWLXPC-QLQQRZLESA-N 2 1 308.466 2.713 20 0 DFADMP COC(=O)CC1CCC([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CC1 ZINC000599035892 398910922 /nfs/dbraw/zinc/91/09/22/398910922.db2.gz VKOKOCZFCWLXPC-QLQQRZLESA-N 2 1 308.466 2.713 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000187679552 200144299 /nfs/dbraw/zinc/14/42/99/200144299.db2.gz AJYUYTBWVPILOA-ZWKOTPCHSA-N 2 1 320.452 2.582 20 0 DFADMP C[C@@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000237531245 202272834 /nfs/dbraw/zinc/27/28/34/202272834.db2.gz VMSIGJUOQSVPOC-CVEARBPZSA-N 2 1 323.525 2.639 20 0 DFADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000187968049 200184925 /nfs/dbraw/zinc/18/49/25/200184925.db2.gz DCGSJPIRVQFZTO-GOSISDBHSA-N 2 1 307.457 2.894 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@@H]1C ZINC000599071634 398917312 /nfs/dbraw/zinc/91/73/12/398917312.db2.gz RQJDPVFZPKGJFM-LUKYLMHMSA-N 2 1 310.482 2.676 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237713891 202334935 /nfs/dbraw/zinc/33/49/35/202334935.db2.gz RTUXHWGLVIKGPO-GASCZTMLSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272646123 299302241 /nfs/dbraw/zinc/30/22/41/299302241.db2.gz JDVCOJVRWJMXKH-CGTJXYLNSA-N 2 1 304.478 2.894 20 0 DFADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000188981688 200330667 /nfs/dbraw/zinc/33/06/67/200330667.db2.gz FBGMMYSYMKIKEQ-UHFFFAOYSA-N 2 1 318.440 2.748 20 0 DFADMP CCN(C)C(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000189404375 200395110 /nfs/dbraw/zinc/39/51/10/200395110.db2.gz WXOVPUDMFRYEBI-KGLIPLIRSA-N 2 1 314.433 2.698 20 0 DFADMP Cc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471831593 299309437 /nfs/dbraw/zinc/30/94/37/299309437.db2.gz FNJDUGDJKVJWKM-UYAOXDASSA-N 2 1 324.472 2.957 20 0 DFADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000281239588 216176197 /nfs/dbraw/zinc/17/61/97/216176197.db2.gz NDIJJWLCFQTZOB-SJCJKPOMSA-N 2 1 304.409 2.896 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CC1 ZINC000417387001 296015790 /nfs/dbraw/zinc/01/57/90/296015790.db2.gz TVZQSUJLTYIXTM-SJLPKXTDSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000417387001 296015792 /nfs/dbraw/zinc/01/57/92/296015792.db2.gz TVZQSUJLTYIXTM-SJLPKXTDSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000417387001 296015793 /nfs/dbraw/zinc/01/57/93/296015793.db2.gz TVZQSUJLTYIXTM-SJLPKXTDSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000599296070 398949870 /nfs/dbraw/zinc/94/98/70/398949870.db2.gz FUEZPUBFWFFZKR-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+](C)CCC[NH+]1CCCC1 ZINC000281294503 216218274 /nfs/dbraw/zinc/21/82/74/216218274.db2.gz JKSGRIYGUKDUDG-UHFFFAOYSA-N 2 1 300.450 2.534 20 0 DFADMP Cn1c2ccccc2nc1CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000281294503 216218277 /nfs/dbraw/zinc/21/82/77/216218277.db2.gz JKSGRIYGUKDUDG-UHFFFAOYSA-N 2 1 300.450 2.534 20 0 DFADMP C[C@@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000292446396 223086131 /nfs/dbraw/zinc/08/61/31/223086131.db2.gz XLSUNHCBVKFLKA-NVXWUHKLSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000292446396 223086122 /nfs/dbraw/zinc/08/61/22/223086122.db2.gz XLSUNHCBVKFLKA-NVXWUHKLSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000292446396 223086126 /nfs/dbraw/zinc/08/61/26/223086126.db2.gz XLSUNHCBVKFLKA-NVXWUHKLSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000292446396 223086129 /nfs/dbraw/zinc/08/61/29/223086129.db2.gz XLSUNHCBVKFLKA-NVXWUHKLSA-N 2 1 305.441 2.821 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)c1C ZINC000600121479 398958828 /nfs/dbraw/zinc/95/88/28/398958828.db2.gz VAFFPABDDOWFRV-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC)C2)c1C ZINC000600121479 398958833 /nfs/dbraw/zinc/95/88/33/398958833.db2.gz VAFFPABDDOWFRV-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC)C2)c1C ZINC000600121479 398958837 /nfs/dbraw/zinc/95/88/37/398958837.db2.gz VAFFPABDDOWFRV-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)c1C ZINC000600121479 398958840 /nfs/dbraw/zinc/95/88/40/398958840.db2.gz VAFFPABDDOWFRV-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)s2)cn1 ZINC000292777744 223242153 /nfs/dbraw/zinc/24/21/53/223242153.db2.gz LBVGUIIWGCSFKT-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)s2)cn1 ZINC000292777744 223242155 /nfs/dbraw/zinc/24/21/55/223242155.db2.gz LBVGUIIWGCSFKT-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(-c2ccc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)s2)cn1 ZINC000292777744 223242157 /nfs/dbraw/zinc/24/21/57/223242157.db2.gz LBVGUIIWGCSFKT-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(-c2ccc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)s2)cn1 ZINC000292777744 223242159 /nfs/dbraw/zinc/24/21/59/223242159.db2.gz LBVGUIIWGCSFKT-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000193295745 201022778 /nfs/dbraw/zinc/02/27/78/201022778.db2.gz ZCWGWPKGSAKKQO-HZPDHXFCSA-N 2 1 317.477 2.662 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271875540 209287247 /nfs/dbraw/zinc/28/72/47/209287247.db2.gz TXDOYYLPLDVOLY-INIZCTEOSA-N 2 1 300.450 2.737 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271875540 209287251 /nfs/dbraw/zinc/28/72/51/209287251.db2.gz TXDOYYLPLDVOLY-INIZCTEOSA-N 2 1 300.450 2.737 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271875540 209287255 /nfs/dbraw/zinc/28/72/55/209287255.db2.gz TXDOYYLPLDVOLY-INIZCTEOSA-N 2 1 300.450 2.737 20 0 DFADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000162019343 398979901 /nfs/dbraw/zinc/97/99/01/398979901.db2.gz CFMYSNUCKJUODG-QGZVFWFLSA-N 2 1 310.482 2.918 20 0 DFADMP C[C@H](CC[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000193959155 201152450 /nfs/dbraw/zinc/15/24/50/201152450.db2.gz QKTVPRAQSNZNHS-QGZVFWFLSA-N 2 1 304.478 2.959 20 0 DFADMP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000604885260 398980180 /nfs/dbraw/zinc/98/01/80/398980180.db2.gz UPGNNULJAPXHAW-HKUYNNGSSA-N 2 1 301.478 2.502 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1=CC[NH+](C)CC1 ZINC000271842352 209260027 /nfs/dbraw/zinc/26/00/27/209260027.db2.gz QZWLQUGVYXYHKI-UHFFFAOYSA-N 3 1 315.505 2.996 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271842352 209260028 /nfs/dbraw/zinc/26/00/28/209260028.db2.gz QZWLQUGVYXYHKI-UHFFFAOYSA-N 3 1 315.505 2.996 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271842352 209260030 /nfs/dbraw/zinc/26/00/30/209260030.db2.gz QZWLQUGVYXYHKI-UHFFFAOYSA-N 3 1 315.505 2.996 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271842352 209260033 /nfs/dbraw/zinc/26/00/33/209260033.db2.gz QZWLQUGVYXYHKI-UHFFFAOYSA-N 2 1 315.505 2.996 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271842352 209260034 /nfs/dbraw/zinc/26/00/34/209260034.db2.gz QZWLQUGVYXYHKI-UHFFFAOYSA-N 2 1 315.505 2.996 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(CO)c1 ZINC000271838403 209258084 /nfs/dbraw/zinc/25/80/84/209258084.db2.gz BFUAEZSEBBSPTK-IXDOHACOSA-N 2 1 320.477 2.719 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474934296 299340167 /nfs/dbraw/zinc/34/01/67/299340167.db2.gz YUGBJNJTPTUSMS-ZAZJYDDPSA-N 2 1 314.882 2.550 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642036 399006348 /nfs/dbraw/zinc/00/63/48/399006348.db2.gz CDMFOQBAIYSXEK-IAGOWNOFSA-N 2 1 309.498 2.537 20 0 DFADMP CCn1nncc1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000417845379 296057300 /nfs/dbraw/zinc/05/73/00/296057300.db2.gz RHEVCNBYXKKHHM-UHFFFAOYSA-N 2 1 313.449 2.574 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474934296 299340165 /nfs/dbraw/zinc/34/01/65/299340165.db2.gz YUGBJNJTPTUSMS-ZAZJYDDPSA-N 2 1 314.882 2.550 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3COC(C)(C)C3)c2)CCO1 ZINC000417872001 296059773 /nfs/dbraw/zinc/05/97/73/296059773.db2.gz KJEXDRUSZIVCEP-MAUKXSAKSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3COC(C)(C)C3)c2)CCO1 ZINC000417872001 296059774 /nfs/dbraw/zinc/05/97/74/296059774.db2.gz KJEXDRUSZIVCEP-MAUKXSAKSA-N 2 1 318.461 2.564 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000417927247 296063855 /nfs/dbraw/zinc/06/38/55/296063855.db2.gz LSARHOULRKMHSQ-OTWHNJEPSA-N 2 1 302.462 2.617 20 0 DFADMP Cc1nn(C)cc1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275504099 212377581 /nfs/dbraw/zinc/37/75/81/212377581.db2.gz CRGGUJSEUTWORK-MRXNPFEDSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1nn(C)cc1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275504099 212377582 /nfs/dbraw/zinc/37/75/82/212377582.db2.gz CRGGUJSEUTWORK-MRXNPFEDSA-N 2 1 313.449 2.559 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000271811115 209235724 /nfs/dbraw/zinc/23/57/24/209235724.db2.gz AURPKFKTPVHZAA-INIZCTEOSA-N 2 1 310.445 2.844 20 0 DFADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000275341205 212281193 /nfs/dbraw/zinc/28/11/93/212281193.db2.gz XDNHLQGMBUHFHU-NVXWUHKLSA-N 2 1 316.445 2.582 20 0 DFADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000275341205 212281196 /nfs/dbraw/zinc/28/11/96/212281196.db2.gz XDNHLQGMBUHFHU-NVXWUHKLSA-N 2 1 316.445 2.582 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418143979 296080662 /nfs/dbraw/zinc/08/06/62/296080662.db2.gz RQZWHSGIRBBWIY-RDJZCZTQSA-N 2 1 324.513 2.600 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000271775194 209204499 /nfs/dbraw/zinc/20/44/99/209204499.db2.gz CJWPWPHQGNAGPD-UHFFFAOYSA-N 2 1 312.360 2.648 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000275188065 212182340 /nfs/dbraw/zinc/18/23/40/212182340.db2.gz YRBZZTLVZHVISI-YJBOKZPZSA-N 2 1 317.477 2.646 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)C(C)C ZINC000419286864 296131934 /nfs/dbraw/zinc/13/19/34/296131934.db2.gz GCBOKDWNUAWBBU-OAHLLOKOSA-N 2 1 309.498 2.627 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545208 203075014 /nfs/dbraw/zinc/07/50/14/203075014.db2.gz JQMSQMHRUDDNDJ-IEZWGBDMSA-N 2 1 317.477 2.531 20 0 DFADMP CCOc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc1OC ZINC000093088902 193202246 /nfs/dbraw/zinc/20/22/46/193202246.db2.gz GUHSQMLAXYDJHG-UHFFFAOYSA-N 2 1 306.450 2.868 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C)c3C)C2)CC1 ZINC000093132936 193205212 /nfs/dbraw/zinc/20/52/12/193205212.db2.gz NAWMSCVCJYRMTD-LJQANCHMSA-N 2 1 301.478 2.515 20 0 DFADMP C[C@H](C[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262370225 203275099 /nfs/dbraw/zinc/27/50/99/203275099.db2.gz LPBMKFNWTYEJLG-CQSZACIVSA-N 2 1 303.450 2.984 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340193110 284157000 /nfs/dbraw/zinc/15/70/00/284157000.db2.gz SLWCHIPIKPJVBS-QYZOEREBSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340193110 284157006 /nfs/dbraw/zinc/15/70/06/284157006.db2.gz SLWCHIPIKPJVBS-QYZOEREBSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340193110 284157010 /nfs/dbraw/zinc/15/70/10/284157010.db2.gz SLWCHIPIKPJVBS-QYZOEREBSA-N 2 1 301.478 2.896 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000262624563 203355536 /nfs/dbraw/zinc/35/55/36/203355536.db2.gz AWFJTNCLDVCVQS-HIFRSBDPSA-N 2 1 301.434 2.868 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000262624563 203355540 /nfs/dbraw/zinc/35/55/40/203355540.db2.gz AWFJTNCLDVCVQS-HIFRSBDPSA-N 2 1 301.434 2.868 20 0 DFADMP C[N@H+](CC1=CCCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336975 193232937 /nfs/dbraw/zinc/23/29/37/193232937.db2.gz OCXPSIWUHQXBIP-GOSISDBHSA-N 2 1 300.446 2.787 20 0 DFADMP C[NH+](CC1=CCCOC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336975 193232939 /nfs/dbraw/zinc/23/29/39/193232939.db2.gz OCXPSIWUHQXBIP-GOSISDBHSA-N 2 1 300.446 2.787 20 0 DFADMP C[NH+](CC1=CCCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336975 193232940 /nfs/dbraw/zinc/23/29/40/193232940.db2.gz OCXPSIWUHQXBIP-GOSISDBHSA-N 2 1 300.446 2.787 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262647005 203363946 /nfs/dbraw/zinc/36/39/46/203363946.db2.gz KGHCUOHUSQLLFM-AEFFLSMTSA-N 2 1 317.477 2.766 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@H]([NH3+])c1ccccc1 ZINC000262681442 203379986 /nfs/dbraw/zinc/37/99/86/203379986.db2.gz XKMGCYIECDJXHE-SZMVWBNQSA-N 2 1 317.477 2.655 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)[C@H](C)C1 ZINC000093639531 193277986 /nfs/dbraw/zinc/27/79/86/193277986.db2.gz LJWGWSDZTIIHJT-PBHICJAKSA-N 2 1 313.449 2.634 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)[C@H](C)C1 ZINC000093639531 193277988 /nfs/dbraw/zinc/27/79/88/193277988.db2.gz LJWGWSDZTIIHJT-PBHICJAKSA-N 2 1 313.449 2.634 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)[C@H](C)C1 ZINC000093639531 193277990 /nfs/dbraw/zinc/27/79/90/193277990.db2.gz LJWGWSDZTIIHJT-PBHICJAKSA-N 2 1 313.449 2.634 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCCCOC)c2)C1 ZINC000093770747 193302976 /nfs/dbraw/zinc/30/29/76/193302976.db2.gz RCTCLQJLQCYLAP-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCCCOC)c2)C1 ZINC000093770747 193302978 /nfs/dbraw/zinc/30/29/78/193302978.db2.gz RCTCLQJLQCYLAP-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000093770747 193302980 /nfs/dbraw/zinc/30/29/80/193302980.db2.gz RCTCLQJLQCYLAP-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000093770747 193302981 /nfs/dbraw/zinc/30/29/81/193302981.db2.gz RCTCLQJLQCYLAP-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000595900964 399128155 /nfs/dbraw/zinc/12/81/55/399128155.db2.gz QJKYHDWNVMYVQR-OAHLLOKOSA-N 2 1 322.474 2.746 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[C@H]1O ZINC000080205628 399126839 /nfs/dbraw/zinc/12/68/39/399126839.db2.gz BGRSOLJQDIETQL-ZWKOTPCHSA-N 2 1 304.478 2.895 20 0 DFADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000419744407 296147709 /nfs/dbraw/zinc/14/77/09/296147709.db2.gz ILSWSICRGVQEDY-LLVKDONJSA-N 2 1 306.479 2.869 20 0 DFADMP CC(C)(C)c1csc(C[NH+]2CCC(OCCC[NH3+])CC2)n1 ZINC000094970262 193409864 /nfs/dbraw/zinc/40/98/64/193409864.db2.gz YQGGMYJMZVQHMT-UHFFFAOYSA-N 2 1 311.495 2.770 20 0 DFADMP C[C@H]([NH2+]C1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274925764 212038162 /nfs/dbraw/zinc/03/81/62/212038162.db2.gz PUAXHTIDCGBMRS-XMZVIZOASA-N 2 1 302.462 2.790 20 0 DFADMP Brc1ccc2c(c1)[nH+]ccc2N1CCC[NH2+]CC1 ZINC000420137725 296159431 /nfs/dbraw/zinc/15/94/31/296159431.db2.gz AAVQPEXTLXWSOL-UHFFFAOYSA-N 2 1 306.207 2.797 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000282450527 217004132 /nfs/dbraw/zinc/00/41/32/217004132.db2.gz UZVDFEMQHKDBAU-ZDUSSCGKSA-N 2 1 311.420 2.641 20 0 DFADMP [NH3+]C[C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000420159093 296159761 /nfs/dbraw/zinc/15/97/61/296159761.db2.gz CWPWXWCDZYEXAN-JTQLQIEISA-N 2 1 306.207 2.782 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000341007977 284228041 /nfs/dbraw/zinc/22/80/41/284228041.db2.gz JSECZKNANLVNPL-FUHWJXTLSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000341007977 284228043 /nfs/dbraw/zinc/22/80/43/284228043.db2.gz JSECZKNANLVNPL-FUHWJXTLSA-N 2 1 322.497 2.691 20 0 DFADMP C[C@H]1[C@H]([NH3+])CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000420250153 296165653 /nfs/dbraw/zinc/16/56/53/296165653.db2.gz JTDGKUOBYYLNKS-JOYOIKCWSA-N 2 1 306.207 2.923 20 0 DFADMP Brc1c[nH+]ccc1N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420274761 296168065 /nfs/dbraw/zinc/16/80/65/296168065.db2.gz NKSNTVRKCCUSKU-NEPJUHHUSA-N 2 1 310.239 2.670 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279925 296168590 /nfs/dbraw/zinc/16/85/90/296168590.db2.gz XTXASAQXVIHMTO-IUODEOHRSA-N 2 1 309.841 2.870 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[NH2+]CC2(F)F)c1Br ZINC000420285929 296169400 /nfs/dbraw/zinc/16/94/00/296169400.db2.gz PUBBUNLRTBJVGL-SECBINFHSA-N 2 1 320.181 2.809 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)C[C@@H]1[NH3+] ZINC000420285911 296169442 /nfs/dbraw/zinc/16/94/42/296169442.db2.gz VWPDXYUNXHVBAU-CABZTGNLSA-N 2 1 306.207 2.781 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1)C(C)C ZINC000264902107 204253368 /nfs/dbraw/zinc/25/33/68/204253368.db2.gz LORAXCVNZRTJLR-INIZCTEOSA-N 2 1 319.493 2.987 20 0 DFADMP OCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420295595 296170562 /nfs/dbraw/zinc/17/05/62/296170562.db2.gz CFJAKNYHLNVXDA-VQIMIIECSA-N 2 1 302.462 2.748 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000420295218 296170692 /nfs/dbraw/zinc/17/06/92/296170692.db2.gz BXVFPVRQOIKKHT-OALUTQOASA-N 2 1 304.478 2.956 20 0 DFADMP c1cnc2sc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc2c1 ZINC000341616670 284269067 /nfs/dbraw/zinc/26/90/67/284269067.db2.gz NLVZSGUUCVCUEL-UHFFFAOYSA-N 2 1 316.474 2.999 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c(C)c1 ZINC000420300138 296171332 /nfs/dbraw/zinc/17/13/32/296171332.db2.gz HIKMMUPILFFNET-QGZVFWFLSA-N 2 1 317.477 2.872 20 0 DFADMP Cc1ccccc1[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299481 296171363 /nfs/dbraw/zinc/17/13/63/296171363.db2.gz ITVMVORHQAAGDC-GIVPXCGWSA-N 2 1 324.468 2.715 20 0 DFADMP CCN(CC)CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420303411 296172057 /nfs/dbraw/zinc/17/20/57/296172057.db2.gz NIDDBTOVDQKFRB-MRXNPFEDSA-N 2 1 309.523 2.892 20 0 DFADMP CCN(CC)CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420303411 296172058 /nfs/dbraw/zinc/17/20/58/296172058.db2.gz NIDDBTOVDQKFRB-MRXNPFEDSA-N 2 1 309.523 2.892 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420304314 296172345 /nfs/dbraw/zinc/17/23/45/296172345.db2.gz IOSJNSKZYYLGNG-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP CC(C)[N@H+](C[C@@H](C)[NH3+])C[C@@H](O)COc1cccc2ccccc21 ZINC000420302981 296172355 /nfs/dbraw/zinc/17/23/55/296172355.db2.gz KEHONDIVGLGETH-NVXWUHKLSA-N 2 1 316.445 2.637 20 0 DFADMP CC(C)[N@@H+](C[C@@H](C)[NH3+])C[C@@H](O)COc1cccc2ccccc21 ZINC000420302981 296172357 /nfs/dbraw/zinc/17/23/57/296172357.db2.gz KEHONDIVGLGETH-NVXWUHKLSA-N 2 1 316.445 2.637 20 0 DFADMP OCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420306585 296172636 /nfs/dbraw/zinc/17/26/36/296172636.db2.gz QLIBSLBCGLXTLK-QFBILLFUSA-N 2 1 302.462 2.748 20 0 DFADMP c1cc(C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420309514 296173065 /nfs/dbraw/zinc/17/30/65/296173065.db2.gz LNNUSNOQNHAVGX-DOTOQJQBSA-N 3 1 319.518 2.692 20 0 DFADMP CC(C)C[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420308099 296173076 /nfs/dbraw/zinc/17/30/76/296173076.db2.gz RZJSFWWGRHUFIL-FHWLQOOXSA-N 2 1 304.478 2.818 20 0 DFADMP C[N@@H+](CCOc1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000420310623 296173327 /nfs/dbraw/zinc/17/33/27/296173327.db2.gz MNTFZIQEKAFPSF-GFCCVEGCSA-N 2 1 300.805 2.932 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000420313483 296173826 /nfs/dbraw/zinc/17/38/26/296173826.db2.gz UCEFFYLGBFHJGJ-NORZTCDRSA-N 2 1 312.816 2.917 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000420314367 296173869 /nfs/dbraw/zinc/17/38/69/296173869.db2.gz KSRCHVYADJPSIP-OAHLLOKOSA-N 2 1 319.449 2.617 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000420318361 296174432 /nfs/dbraw/zinc/17/44/32/296174432.db2.gz ONTWPZGBJCNVAP-QGZVFWFLSA-N 2 1 312.413 2.501 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420318851 296174310 /nfs/dbraw/zinc/17/43/10/296174310.db2.gz ORXXQSHYOMNUPG-QWFCFKBJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420318851 296174311 /nfs/dbraw/zinc/17/43/11/296174311.db2.gz ORXXQSHYOMNUPG-QWFCFKBJSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420318851 296174312 /nfs/dbraw/zinc/17/43/12/296174312.db2.gz ORXXQSHYOMNUPG-QWFCFKBJSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420318851 296174314 /nfs/dbraw/zinc/17/43/14/296174314.db2.gz ORXXQSHYOMNUPG-QWFCFKBJSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420318851 296174316 /nfs/dbraw/zinc/17/43/16/296174316.db2.gz ORXXQSHYOMNUPG-QWFCFKBJSA-N 3 1 315.505 2.971 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420322491 296174935 /nfs/dbraw/zinc/17/49/35/296174935.db2.gz SMIPGNPRLINBEA-QWHCGFSZSA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420322491 296174936 /nfs/dbraw/zinc/17/49/36/296174936.db2.gz SMIPGNPRLINBEA-QWHCGFSZSA-N 2 1 316.401 2.779 20 0 DFADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323121 296175396 /nfs/dbraw/zinc/17/53/96/296175396.db2.gz FTAMCOZIAGESHC-TZMCWYRMSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323121 296175397 /nfs/dbraw/zinc/17/53/97/296175397.db2.gz FTAMCOZIAGESHC-TZMCWYRMSA-N 2 1 310.388 2.713 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326723 296175516 /nfs/dbraw/zinc/17/55/16/296175516.db2.gz KOGLQVVGABCJAP-NUJGCVRESA-N 2 1 316.445 2.531 20 0 DFADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CC[NH2+]C1)OCCO2 ZINC000420327854 296176193 /nfs/dbraw/zinc/17/61/93/296176193.db2.gz YZNAZGGOILXWTI-HOCLYGCPSA-N 2 1 302.418 2.594 20 0 DFADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000420331621 296176375 /nfs/dbraw/zinc/17/63/75/296176375.db2.gz RAZYCSCLZNZZFB-QWHCGFSZSA-N 2 1 313.367 2.922 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000271737024 209170179 /nfs/dbraw/zinc/17/01/79/209170179.db2.gz ZTWARSKYXMOXMY-SFHVURJKSA-N 2 1 315.417 2.950 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)n1 ZINC000420330418 296176495 /nfs/dbraw/zinc/17/64/95/296176495.db2.gz IAZLGGQPVJFLFC-KDURUIRLSA-N 2 1 324.472 2.921 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327690 296176002 /nfs/dbraw/zinc/17/60/02/296176002.db2.gz DNWLSXNEVMQGPP-MELADBBJSA-N 2 1 321.852 2.598 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000271723878 209158308 /nfs/dbraw/zinc/15/83/08/209158308.db2.gz KWRGEKGRDRLSEO-UHFFFAOYSA-N 2 1 300.450 2.880 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339003 296177581 /nfs/dbraw/zinc/17/75/81/296177581.db2.gz LJXCDZZEXPVSHG-DLBZAZTESA-N 2 1 315.461 2.563 20 0 DFADMP c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)no2)cc1 ZINC000420342861 296177714 /nfs/dbraw/zinc/17/77/14/296177714.db2.gz QCRYWFIQPCHKHN-HZPDHXFCSA-N 2 1 312.417 2.558 20 0 DFADMP c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)no2)cc1 ZINC000420342861 296177715 /nfs/dbraw/zinc/17/77/15/296177715.db2.gz QCRYWFIQPCHKHN-HZPDHXFCSA-N 2 1 312.417 2.558 20 0 DFADMP Cc1ccc([C@]2(C)CC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000420353257 296178821 /nfs/dbraw/zinc/17/88/21/296178821.db2.gz BLQJHNPUJLLERL-GOSISDBHSA-N 2 1 314.433 2.735 20 0 DFADMP Cc1ccc([C@]2(C)CC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000420353257 296178823 /nfs/dbraw/zinc/17/88/23/296178823.db2.gz BLQJHNPUJLLERL-GOSISDBHSA-N 2 1 314.433 2.735 20 0 DFADMP COCCOCCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274878174 212003415 /nfs/dbraw/zinc/00/34/15/212003415.db2.gz HACBGEBBYPNHDE-PKOBYXMFSA-N 2 1 320.477 2.540 20 0 DFADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420353497 296178936 /nfs/dbraw/zinc/17/89/36/296178936.db2.gz BBBHDOMPLZQITD-QGZVFWFLSA-N 2 1 321.852 2.744 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000420366132 296180695 /nfs/dbraw/zinc/18/06/95/296180695.db2.gz RABLMKIABWANEF-CYBMUJFWSA-N 2 1 322.840 2.896 20 0 DFADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096637 399171797 /nfs/dbraw/zinc/17/17/97/399171797.db2.gz WCCFJGSUEMBKOG-GDBMZVCRSA-N 2 1 310.482 2.818 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420363621 296180316 /nfs/dbraw/zinc/18/03/16/296180316.db2.gz BQJMJXBXLUMGBP-INIZCTEOSA-N 2 1 300.446 2.680 20 0 DFADMP COCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282591083 217110584 /nfs/dbraw/zinc/11/05/84/217110584.db2.gz WZKWXHPEFSDWLC-GOSISDBHSA-N 2 1 320.477 2.540 20 0 DFADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282591083 217110587 /nfs/dbraw/zinc/11/05/87/217110587.db2.gz WZKWXHPEFSDWLC-GOSISDBHSA-N 2 1 320.477 2.540 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000420370537 296181844 /nfs/dbraw/zinc/18/18/44/296181844.db2.gz WENKGSDQHZPEMH-ZDUSSCGKSA-N 2 1 322.840 2.896 20 0 DFADMP CCCc1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000420380066 296183644 /nfs/dbraw/zinc/18/36/44/296183644.db2.gz BQMQLRGGPATVED-GDBMZVCRSA-N 2 1 323.506 2.814 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1SC ZINC000342107197 284325470 /nfs/dbraw/zinc/32/54/70/284325470.db2.gz PGZWAKGSZREJDK-KKUMJFAQSA-N 2 1 306.475 2.976 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1SC ZINC000342107199 284325513 /nfs/dbraw/zinc/32/55/13/284325513.db2.gz PGZWAKGSZREJDK-RRFJBIMHSA-N 2 1 306.475 2.976 20 0 DFADMP C[NH2+]CCC[N@H+](C)CCOc1cc(F)cc(Br)c1 ZINC000420388773 296184689 /nfs/dbraw/zinc/18/46/89/296184689.db2.gz MQVXIXXAXRZWQF-UHFFFAOYSA-N 2 1 319.218 2.508 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCOc1cc(F)cc(Br)c1 ZINC000420388773 296184691 /nfs/dbraw/zinc/18/46/91/296184691.db2.gz MQVXIXXAXRZWQF-UHFFFAOYSA-N 2 1 319.218 2.508 20 0 DFADMP c1cc(CC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390170 296184754 /nfs/dbraw/zinc/18/47/54/296184754.db2.gz HYQIYNQMLALTQN-MSOLQXFVSA-N 2 1 300.446 2.628 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3C[C@H]([NH3+])[C@@H](C)C3)CCC2)c1 ZINC000420390002 296184767 /nfs/dbraw/zinc/18/47/67/296184767.db2.gz XTVCWPXFTJPOMV-YJBOKZPZSA-N 2 1 318.461 2.661 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+]3C[C@H]([NH3+])[C@@H](C)C3)CCC2)c1 ZINC000420390002 296184768 /nfs/dbraw/zinc/18/47/68/296184768.db2.gz XTVCWPXFTJPOMV-YJBOKZPZSA-N 2 1 318.461 2.661 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390943 296185497 /nfs/dbraw/zinc/18/54/97/296185497.db2.gz IBDNHWMSNBMRPP-RHSMWYFYSA-N 2 1 319.424 2.618 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420398658 296185940 /nfs/dbraw/zinc/18/59/40/296185940.db2.gz NNEIKXXDMMIHIG-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420398658 296185941 /nfs/dbraw/zinc/18/59/41/296185941.db2.gz NNEIKXXDMMIHIG-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282722767 217203312 /nfs/dbraw/zinc/20/33/12/217203312.db2.gz MBERUGUMMFPPHT-QGZVFWFLSA-N 2 1 319.836 2.836 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420400317 296185982 /nfs/dbraw/zinc/18/59/82/296185982.db2.gz ORZOQXUJMYZBPQ-LPHOPBHVSA-N 2 1 318.461 2.928 20 0 DFADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000420397699 296186112 /nfs/dbraw/zinc/18/61/12/296186112.db2.gz XXDDRIRGLCWSAB-GOSISDBHSA-N 2 1 320.477 2.803 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000600938186 399181268 /nfs/dbraw/zinc/18/12/68/399181268.db2.gz DMXPXZQMDISHME-QGZVFWFLSA-N 2 1 301.434 2.705 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000600938186 399181271 /nfs/dbraw/zinc/18/12/71/399181271.db2.gz DMXPXZQMDISHME-QGZVFWFLSA-N 2 1 301.434 2.705 20 0 DFADMP COc1cc2[nH+]ccc(N(C)C[C@H]3CCC[N@H+]3C)c2cc1OC ZINC000420628641 296193814 /nfs/dbraw/zinc/19/38/14/296193814.db2.gz BIMFECPPOLOZKF-CYBMUJFWSA-N 2 1 315.417 2.782 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)n(C)n1 ZINC000342619627 284381365 /nfs/dbraw/zinc/38/13/65/284381365.db2.gz SQSLYOSCBQHTHR-WMLDXEAASA-N 2 1 304.482 2.861 20 0 DFADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000614331279 399209859 /nfs/dbraw/zinc/20/98/59/399209859.db2.gz PJXYWLCHEVHXIG-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614331279 399209861 /nfs/dbraw/zinc/20/98/61/399209861.db2.gz PJXYWLCHEVHXIG-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614331279 399209863 /nfs/dbraw/zinc/20/98/63/399209863.db2.gz PJXYWLCHEVHXIG-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC1(C)[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000420911436 296211194 /nfs/dbraw/zinc/21/11/94/296211194.db2.gz GPCZXYMSCTYCEY-HDICACEKSA-N 2 1 300.446 2.607 20 0 DFADMP CC1(C)[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCOCC4)cc3)C[C@@H]21 ZINC000420911436 296211196 /nfs/dbraw/zinc/21/11/96/296211196.db2.gz GPCZXYMSCTYCEY-HDICACEKSA-N 2 1 300.446 2.607 20 0 DFADMP C[C@@H]1SCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420911925 296211231 /nfs/dbraw/zinc/21/12/31/296211231.db2.gz GWVYVPOEEADLDP-HOTGVXAUSA-N 2 1 320.502 2.845 20 0 DFADMP C[C@@H]1SCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420911925 296211232 /nfs/dbraw/zinc/21/12/32/296211232.db2.gz GWVYVPOEEADLDP-HOTGVXAUSA-N 2 1 320.502 2.845 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000267447230 206073107 /nfs/dbraw/zinc/07/31/07/206073107.db2.gz KMBCZUNKVIWJBF-RDJZCZTQSA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000267447230 206073111 /nfs/dbraw/zinc/07/31/11/206073111.db2.gz KMBCZUNKVIWJBF-RDJZCZTQSA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000267447230 206073116 /nfs/dbraw/zinc/07/31/16/206073116.db2.gz KMBCZUNKVIWJBF-RDJZCZTQSA-N 2 1 314.477 2.778 20 0 DFADMP C[C@H]1[C@@H](C)[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000420980613 296220338 /nfs/dbraw/zinc/22/03/38/296220338.db2.gz WZJIXPDCVGTHIS-BRWVUGGUSA-N 2 1 302.462 2.995 20 0 DFADMP C[C@H]1[C@@H](C)[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000420980613 296220341 /nfs/dbraw/zinc/22/03/41/296220341.db2.gz WZJIXPDCVGTHIS-BRWVUGGUSA-N 2 1 302.462 2.995 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000421006453 296223938 /nfs/dbraw/zinc/22/39/38/296223938.db2.gz FQSZKOBPUOAJRU-SFHVURJKSA-N 2 1 308.441 2.537 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@](O)(Cc2ccc(F)cc2)C1 ZINC000421006453 296223939 /nfs/dbraw/zinc/22/39/39/296223939.db2.gz FQSZKOBPUOAJRU-SFHVURJKSA-N 2 1 308.441 2.537 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000421028824 296228302 /nfs/dbraw/zinc/22/83/02/296228302.db2.gz UOLHOBGZEVGAHG-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000421028824 296228303 /nfs/dbraw/zinc/22/83/03/296228303.db2.gz UOLHOBGZEVGAHG-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000421028824 296228304 /nfs/dbraw/zinc/22/83/04/296228304.db2.gz UOLHOBGZEVGAHG-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP CCOC(=O)CCCCC[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614779680 399267173 /nfs/dbraw/zinc/26/71/73/399267173.db2.gz CRKPPRJWYZIQRJ-HNNXBMFYSA-N 2 1 307.438 2.501 20 0 DFADMP CCOC(=O)CCCCC[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000614779680 399267174 /nfs/dbraw/zinc/26/71/74/399267174.db2.gz CRKPPRJWYZIQRJ-HNNXBMFYSA-N 2 1 307.438 2.501 20 0 DFADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000618986574 399270825 /nfs/dbraw/zinc/27/08/25/399270825.db2.gz GMBIXXVHFGCGJS-SJLPKXTDSA-N 2 1 317.477 2.526 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325647 399277783 /nfs/dbraw/zinc/27/77/83/399277783.db2.gz DYHMFIOHYDSXRY-RYUDHWBXSA-N 2 1 318.442 2.715 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601325647 399277787 /nfs/dbraw/zinc/27/77/87/399277787.db2.gz DYHMFIOHYDSXRY-RYUDHWBXSA-N 2 1 318.442 2.715 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086469 399324218 /nfs/dbraw/zinc/32/42/18/399324218.db2.gz SQYDJTMSQZZHNT-UHFFFAOYSA-N 2 1 322.412 2.823 20 0 DFADMP CCCOc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000623086960 399324580 /nfs/dbraw/zinc/32/45/80/399324580.db2.gz USIRILFUBYUBGQ-UHFFFAOYSA-N 2 1 303.406 2.550 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271875540 209287244 /nfs/dbraw/zinc/28/72/44/209287244.db2.gz TXDOYYLPLDVOLY-INIZCTEOSA-N 2 1 300.450 2.737 20 0 DFADMP C[C@H]([NH2+]CCC1(O)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284410769 218017214 /nfs/dbraw/zinc/01/72/14/218017214.db2.gz QLDQZMURVOMSOZ-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000610250402 399350937 /nfs/dbraw/zinc/35/09/37/399350937.db2.gz DGSOEVRDJKVMEI-ICSRJNTNSA-N 2 1 315.505 2.890 20 0 DFADMP C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284681262 218131079 /nfs/dbraw/zinc/13/10/79/218131079.db2.gz GXXGDZLXLUWOQN-PMACEKPBSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+]1CCCC[C@H]1CCN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284681262 218131082 /nfs/dbraw/zinc/13/10/82/218131082.db2.gz GXXGDZLXLUWOQN-PMACEKPBSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+]1CCCC[C@H]1CCN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284681262 218131083 /nfs/dbraw/zinc/13/10/83/218131083.db2.gz GXXGDZLXLUWOQN-PMACEKPBSA-N 2 1 315.505 2.720 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000105443738 194105137 /nfs/dbraw/zinc/10/51/37/194105137.db2.gz BKIVEHSNUWCOQA-HNNXBMFYSA-N 2 1 309.417 2.803 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623338313 399365591 /nfs/dbraw/zinc/36/55/91/399365591.db2.gz UVTRMUKKKLVGQE-ZWKOTPCHSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338313 399365597 /nfs/dbraw/zinc/36/55/97/399365597.db2.gz UVTRMUKKKLVGQE-ZWKOTPCHSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1nnc2n1CCCCC2 ZINC000623352099 399369269 /nfs/dbraw/zinc/36/92/69/399369269.db2.gz OXNVZAGHVADLFU-KBPBESRZSA-N 2 1 305.470 2.528 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623361194 399371921 /nfs/dbraw/zinc/37/19/21/399371921.db2.gz QUVQCHSMKBSWJK-INIZCTEOSA-N 2 1 303.450 2.998 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623361194 399371923 /nfs/dbraw/zinc/37/19/23/399371923.db2.gz QUVQCHSMKBSWJK-INIZCTEOSA-N 2 1 303.450 2.998 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623359784 399372012 /nfs/dbraw/zinc/37/20/12/399372012.db2.gz AVXJWQQSQOKFRK-KRWDZBQOSA-N 2 1 317.477 2.789 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623359784 399372015 /nfs/dbraw/zinc/37/20/15/399372015.db2.gz AVXJWQQSQOKFRK-KRWDZBQOSA-N 2 1 317.477 2.789 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccc(F)cc2)CC1 ZINC000106166134 194188703 /nfs/dbraw/zinc/18/87/03/194188703.db2.gz UZIRHINLPPRCIP-UHFFFAOYSA-N 2 1 317.408 2.893 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC(F)F)cc1 ZINC000268837200 207003320 /nfs/dbraw/zinc/00/33/20/207003320.db2.gz SMZJEOJRYBWVKK-ZDUSSCGKSA-N 2 1 316.392 2.907 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC(F)F)cc1 ZINC000268837198 207001870 /nfs/dbraw/zinc/00/18/70/207001870.db2.gz SMZJEOJRYBWVKK-CYBMUJFWSA-N 2 1 316.392 2.907 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(F)c(Cl)c1 ZINC000268837715 207002780 /nfs/dbraw/zinc/00/27/80/207002780.db2.gz MJPBCCXLGMMOOV-LBPRGKRZSA-N 2 1 314.832 2.977 20 0 DFADMP CC(C)Oc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268837612 207003742 /nfs/dbraw/zinc/00/37/42/207003742.db2.gz MFTFVGBMQRBIQS-MRXNPFEDSA-N 2 1 320.477 2.971 20 0 DFADMP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000268846064 207012649 /nfs/dbraw/zinc/01/26/49/207012649.db2.gz VMDNQFGAJQVEQA-VQIMIIECSA-N 2 1 320.477 2.812 20 0 DFADMP FC(F)(F)COc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422561185 296312650 /nfs/dbraw/zinc/31/26/50/296312650.db2.gz JPHFYBIQJGSUSN-UHFFFAOYSA-N 2 1 314.351 2.956 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000422562405 296312711 /nfs/dbraw/zinc/31/27/11/296312711.db2.gz PXOOHNOSECGFGV-FMKPAKJESA-N 2 1 306.450 2.899 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000422565714 296313323 /nfs/dbraw/zinc/31/33/23/296313323.db2.gz ZUAUNAFIRRWTAU-UXLLHSPISA-N 2 1 312.461 2.986 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268853859 207022759 /nfs/dbraw/zinc/02/27/59/207022759.db2.gz HXPKMBURWSRNLH-IBGZPJMESA-N 2 1 319.468 2.676 20 0 DFADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268862921 207031230 /nfs/dbraw/zinc/03/12/30/207031230.db2.gz SNCJKWCDBFBRRT-IFXJQAMLSA-N 2 1 320.452 2.886 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268869406 207038333 /nfs/dbraw/zinc/03/83/33/207038333.db2.gz IJVIKDQHXIIKFG-FUHWJXTLSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268869406 207038336 /nfs/dbraw/zinc/03/83/36/207038336.db2.gz IJVIKDQHXIIKFG-FUHWJXTLSA-N 2 1 302.462 2.934 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623474924 399397488 /nfs/dbraw/zinc/39/74/88/399397488.db2.gz VNXKPGXFQYQQBG-NVXWUHKLSA-N 2 1 315.461 2.947 20 0 DFADMP CCC[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268874905 207044645 /nfs/dbraw/zinc/04/46/45/207044645.db2.gz KCKDZKZHYDLULI-GOSISDBHSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCCOCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000422625259 296316507 /nfs/dbraw/zinc/31/65/07/296316507.db2.gz BBZZKSNSMNVIBY-AOIWGVFYSA-N 2 1 304.478 2.941 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@@H+](C)C1CCCCC1 ZINC000422700390 296318440 /nfs/dbraw/zinc/31/84/40/296318440.db2.gz GVROYHZSDNMBTL-LPHOPBHVSA-N 2 1 303.494 2.799 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1OC ZINC000422699139 296318177 /nfs/dbraw/zinc/31/81/77/296318177.db2.gz AESMZOKDUMLLBI-OWCLPIDISA-N 2 1 304.434 2.714 20 0 DFADMP C[N@H+]1CC[C@@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511075 399404850 /nfs/dbraw/zinc/40/48/50/399404850.db2.gz YZUYLXQFQJOIPC-RTBURBONSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511075 399404853 /nfs/dbraw/zinc/40/48/53/399404853.db2.gz YZUYLXQFQJOIPC-RTBURBONSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511075 399404856 /nfs/dbraw/zinc/40/48/56/399404856.db2.gz YZUYLXQFQJOIPC-RTBURBONSA-N 3 1 315.505 2.971 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511075 399404861 /nfs/dbraw/zinc/40/48/61/399404861.db2.gz YZUYLXQFQJOIPC-RTBURBONSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511075 399404863 /nfs/dbraw/zinc/40/48/63/399404863.db2.gz YZUYLXQFQJOIPC-RTBURBONSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511075 399404866 /nfs/dbraw/zinc/40/48/66/399404866.db2.gz YZUYLXQFQJOIPC-RTBURBONSA-N 3 1 315.505 2.971 20 0 DFADMP CCCC[N@@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422706642 296319535 /nfs/dbraw/zinc/31/95/35/296319535.db2.gz FQLMHVWFMVQQEK-RTBURBONSA-N 2 1 319.493 2.810 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000268934978 207099069 /nfs/dbraw/zinc/09/90/69/207099069.db2.gz RLLNALSZONDICC-HNAYVOBHSA-N 2 1 318.461 2.604 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+](C)C1CCCCC1 ZINC000422706446 296319445 /nfs/dbraw/zinc/31/94/45/296319445.db2.gz UJIPQLHEUALPBA-AWEZNQCLSA-N 2 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN(C)C1CCCCC1 ZINC000422706446 296319447 /nfs/dbraw/zinc/31/94/47/296319447.db2.gz UJIPQLHEUALPBA-AWEZNQCLSA-N 2 1 304.482 2.764 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000268945620 207108715 /nfs/dbraw/zinc/10/87/15/207108715.db2.gz UFJCFLJSJMUZNQ-RDTXWAMCSA-N 2 1 306.425 2.640 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422718536 296321056 /nfs/dbraw/zinc/32/10/56/296321056.db2.gz PWAXDVLAWVLGKX-YSIASYRMSA-N 2 1 315.505 2.671 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531163 399409899 /nfs/dbraw/zinc/40/98/99/399409899.db2.gz KXGFPCXENGNOIL-GJZGRUSLSA-N 2 1 305.441 2.867 20 0 DFADMP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422724958 296322010 /nfs/dbraw/zinc/32/20/10/296322010.db2.gz XGNKLAZNZUPRSL-QRVBRYPASA-N 3 1 305.510 2.761 20 0 DFADMP C[C@@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422725297 296322106 /nfs/dbraw/zinc/32/21/06/296322106.db2.gz XULNZFAWVTXPPC-FZKQIMNGSA-N 2 1 323.431 2.659 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422731870 296322998 /nfs/dbraw/zinc/32/29/98/296322998.db2.gz OEMOXWVJZMBKIY-WMLDXEAASA-N 2 1 304.482 2.764 20 0 DFADMP CC[C@@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422731870 296322999 /nfs/dbraw/zinc/32/29/99/296322999.db2.gz OEMOXWVJZMBKIY-WMLDXEAASA-N 2 1 304.482 2.764 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)cnc21 ZINC000623656276 399436754 /nfs/dbraw/zinc/43/67/54/399436754.db2.gz QYENPSWPPHPFJJ-OAHLLOKOSA-N 2 1 315.465 2.834 20 0 DFADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269030104 207179389 /nfs/dbraw/zinc/17/93/89/207179389.db2.gz DLKZJJCTIDWZAV-ZHALLVOQSA-N 2 1 304.478 2.895 20 0 DFADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269030081 207179812 /nfs/dbraw/zinc/17/98/12/207179812.db2.gz DLKZJJCTIDWZAV-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP COc1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)cc2c1OCO2 ZINC000061003195 184159363 /nfs/dbraw/zinc/15/93/63/184159363.db2.gz WTEYFEUMTWZCPF-UHFFFAOYSA-N 2 1 320.433 2.823 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000623656055 399437207 /nfs/dbraw/zinc/43/72/07/399437207.db2.gz MABHPTUPLOMNQI-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000623656055 399437211 /nfs/dbraw/zinc/43/72/11/399437211.db2.gz MABHPTUPLOMNQI-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000623656055 399437215 /nfs/dbraw/zinc/43/72/15/399437215.db2.gz MABHPTUPLOMNQI-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000623656055 399437218 /nfs/dbraw/zinc/43/72/18/399437218.db2.gz MABHPTUPLOMNQI-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000623656055 399437222 /nfs/dbraw/zinc/43/72/22/399437222.db2.gz MABHPTUPLOMNQI-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000623657767 399437871 /nfs/dbraw/zinc/43/78/71/399437871.db2.gz YQRDHIVQNBUADT-CQSZACIVSA-N 2 1 304.463 2.755 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000623657642 399437909 /nfs/dbraw/zinc/43/79/09/399437909.db2.gz VUJYBHWFNMYBQE-ZFWWWQNUSA-N 2 1 309.479 2.816 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000623657642 399437912 /nfs/dbraw/zinc/43/79/12/399437912.db2.gz VUJYBHWFNMYBQE-ZFWWWQNUSA-N 2 1 309.479 2.816 20 0 DFADMP CC[NH+](CC)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000061570915 184174957 /nfs/dbraw/zinc/17/49/57/184174957.db2.gz ZAHLVCZBIFFQDJ-UHFFFAOYSA-N 2 1 321.490 2.516 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000269078494 207224565 /nfs/dbraw/zinc/22/45/65/207224565.db2.gz YYIIUVQJJNWNSN-PBWTXFEYSA-N 2 1 304.478 2.894 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000269078494 207224569 /nfs/dbraw/zinc/22/45/69/207224569.db2.gz YYIIUVQJJNWNSN-PBWTXFEYSA-N 2 1 304.478 2.894 20 0 DFADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000611322977 399462329 /nfs/dbraw/zinc/46/23/29/399462329.db2.gz ILVCBTGNVQPSPZ-HOTGVXAUSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)C(C)(C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000611322977 399462331 /nfs/dbraw/zinc/46/23/31/399462331.db2.gz ILVCBTGNVQPSPZ-HOTGVXAUSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)C(C)(C)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000611322977 399462333 /nfs/dbraw/zinc/46/23/33/399462333.db2.gz ILVCBTGNVQPSPZ-HOTGVXAUSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@H]1C[C@H](NCc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623777327 399464193 /nfs/dbraw/zinc/46/41/93/399464193.db2.gz AJAYLWJATLJDRQ-MAUKXSAKSA-N 2 1 311.429 2.930 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623777327 399464199 /nfs/dbraw/zinc/46/41/99/399464199.db2.gz AJAYLWJATLJDRQ-MAUKXSAKSA-N 2 1 311.429 2.930 20 0 DFADMP CO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623808992 399470199 /nfs/dbraw/zinc/47/01/99/399470199.db2.gz MBBPNNMVGRLSIP-IYARVYRRSA-N 2 1 306.425 2.600 20 0 DFADMP COc1cccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c1OC1CCCC1 ZINC000422735993 296323722 /nfs/dbraw/zinc/32/37/22/296323722.db2.gz VLCUTVNJYYJONK-ZDUSSCGKSA-N 2 1 304.434 2.714 20 0 DFADMP COC(=O)C(C)(C)[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccccc1 ZINC000611406151 399471683 /nfs/dbraw/zinc/47/16/83/399471683.db2.gz NLYWSPOOUBBDOG-INIZCTEOSA-N 2 1 315.417 2.722 20 0 DFADMP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])N1CCCC1 ZINC000422748588 296325570 /nfs/dbraw/zinc/32/55/70/296325570.db2.gz VEZJIGUZQNOSTF-SZMVWBNQSA-N 2 1 317.477 2.549 20 0 DFADMP C[C@@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000422747199 296325589 /nfs/dbraw/zinc/32/55/89/296325589.db2.gz PLYHFWKKZWPQFY-FUHWJXTLSA-N 2 1 301.478 2.944 20 0 DFADMP CCN(CC)[C@@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000422748923 296325893 /nfs/dbraw/zinc/32/58/93/296325893.db2.gz WTJRSZIWIMTEJO-GUYCJALGSA-N 2 1 309.885 2.920 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@@H]1[NH3+])c1c(F)cccc1F ZINC000422745628 296325368 /nfs/dbraw/zinc/32/53/68/296325368.db2.gz MPTOPCXHFXBECJ-HRCADAONSA-N 2 1 311.420 2.817 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCC1 ZINC000422749007 296326088 /nfs/dbraw/zinc/32/60/88/296326088.db2.gz WZUOCZKPQBWKPK-ZOBUZTSGSA-N 2 1 305.466 2.548 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000422750560 296326102 /nfs/dbraw/zinc/32/61/02/296326102.db2.gz DGGRFVXYVVKJFO-WFASDCNBSA-N 2 1 311.267 2.969 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CCC[NH2+]C)c1 ZINC000269239214 207368160 /nfs/dbraw/zinc/36/81/60/207368160.db2.gz AOAWZOUHXDZHGA-UHFFFAOYSA-N 2 1 319.493 2.924 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422760592 296328450 /nfs/dbraw/zinc/32/84/50/296328450.db2.gz QILPCFNZKBMEMK-HKUYNNGSSA-N 2 1 317.477 2.564 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000623853440 399480082 /nfs/dbraw/zinc/48/00/82/399480082.db2.gz YHVQWCAERXUQMW-LPHOPBHVSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422763975 296329357 /nfs/dbraw/zinc/32/93/57/296329357.db2.gz PDGRJZLYWWGPAW-WMLDXEAASA-N 2 1 322.880 2.976 20 0 DFADMP COc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000422769176 296330096 /nfs/dbraw/zinc/33/00/96/296330096.db2.gz UTEZNCGNAQIHTL-FCEWJHQRSA-N 2 1 319.493 2.938 20 0 DFADMP CC[C@@H](CCc1ccccc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000623871803 399484056 /nfs/dbraw/zinc/48/40/56/399484056.db2.gz NAVYKLVAXSLNPB-SFHVURJKSA-N 2 1 304.478 2.834 20 0 DFADMP CC[N@H+]1CCC[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623884264 399486948 /nfs/dbraw/zinc/48/69/48/399486948.db2.gz WIDOZDDPGBJTGE-QGZVFWFLSA-N 2 1 323.444 2.893 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCCO2)[C@H](C)C1 ZINC000623894937 399489155 /nfs/dbraw/zinc/48/91/55/399489155.db2.gz FXLVQHJMAWHBPO-ZJPYXAASSA-N 2 1 312.498 2.671 20 0 DFADMP COc1ccccc1O[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422785797 296332676 /nfs/dbraw/zinc/33/26/76/296332676.db2.gz KAYHZWRLBKNWRZ-QWHCGFSZSA-N 2 1 301.390 2.621 20 0 DFADMP COC(=O)c1csc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000602625359 399494027 /nfs/dbraw/zinc/49/40/27/399494027.db2.gz HNBJFOQRKUZEET-UHFFFAOYSA-N 2 1 308.447 2.595 20 0 DFADMP COC(=O)c1csc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000602625359 399494029 /nfs/dbraw/zinc/49/40/29/399494029.db2.gz HNBJFOQRKUZEET-UHFFFAOYSA-N 2 1 308.447 2.595 20 0 DFADMP CCOC(=O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602629745 399496738 /nfs/dbraw/zinc/49/67/38/399496738.db2.gz JFZOUASKDOWEMU-HHXXYDBFSA-N 2 1 318.461 2.580 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CCCCO3)C2)nc(C)[nH+]1 ZINC000623935703 399498324 /nfs/dbraw/zinc/49/83/24/399498324.db2.gz MWHBETDOCHLFTK-XIRDDKMYSA-N 2 1 318.465 2.609 20 0 DFADMP C[NH+](C)CCOc1cccc(N[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623949518 399501698 /nfs/dbraw/zinc/50/16/98/399501698.db2.gz UROGEDSHXPRCLI-INIZCTEOSA-N 2 1 305.466 2.912 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000269251629 207387238 /nfs/dbraw/zinc/38/72/38/207387238.db2.gz ZFFZQPYGPMZDFI-CRAIPNDOSA-N 2 1 317.477 2.518 20 0 DFADMP [NH3+][C@@H]1C[C@@H](NCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422805651 296336301 /nfs/dbraw/zinc/33/63/01/296336301.db2.gz MKZJXQIKNKCMBL-WOJBJXKFSA-N 2 1 307.441 2.779 20 0 DFADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422810039 296337129 /nfs/dbraw/zinc/33/71/29/296337129.db2.gz QWFMRCTXMLUUIT-HNNXBMFYSA-N 2 1 310.445 2.593 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000422806983 296336578 /nfs/dbraw/zinc/33/65/78/296336578.db2.gz LLVYTKSFPQWNSU-QAPCUYQASA-N 2 1 317.477 2.789 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000631841943 399506223 /nfs/dbraw/zinc/50/62/23/399506223.db2.gz SEFGZJIGHMAUQA-AYBZRNKSSA-N 2 1 323.440 2.893 20 0 DFADMP C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@@H]1C[NH3+] ZINC000631841943 399506227 /nfs/dbraw/zinc/50/62/27/399506227.db2.gz SEFGZJIGHMAUQA-AYBZRNKSSA-N 2 1 323.440 2.893 20 0 DFADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631844722 399506285 /nfs/dbraw/zinc/50/62/85/399506285.db2.gz LRNGSDNGVNDCQL-KSSFIOAISA-N 2 1 313.449 2.868 20 0 DFADMP C[N@@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccc(F)cc1 ZINC000422818995 296339048 /nfs/dbraw/zinc/33/90/48/296339048.db2.gz LXRXGOOPOXTYHG-OALUTQOASA-N 2 1 313.420 2.992 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)cc1F ZINC000422819778 296339087 /nfs/dbraw/zinc/33/90/87/296339087.db2.gz OBNZWMXSUWPBDL-CXAGYDPISA-N 2 1 320.383 2.892 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843145 399506739 /nfs/dbraw/zinc/50/67/39/399506739.db2.gz JUKDXQJGFQVEIS-HRCADAONSA-N 2 1 317.477 2.972 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631843145 399506742 /nfs/dbraw/zinc/50/67/42/399506742.db2.gz JUKDXQJGFQVEIS-HRCADAONSA-N 2 1 317.477 2.972 20 0 DFADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841744 399506999 /nfs/dbraw/zinc/50/69/99/399506999.db2.gz PDSLJOBFWFVELB-ZBFHGGJFSA-N 2 1 311.429 2.695 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841501 399506021 /nfs/dbraw/zinc/50/60/21/399506021.db2.gz LHGJUDZXVRSKEG-ZQIUZPCESA-N 2 1 317.477 2.665 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631841501 399506025 /nfs/dbraw/zinc/50/60/25/399506025.db2.gz LHGJUDZXVRSKEG-ZQIUZPCESA-N 2 1 317.477 2.665 20 0 DFADMP COC(=O)c1csc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000602661061 399507501 /nfs/dbraw/zinc/50/75/01/399507501.db2.gz CBSRQQCBVIEUFQ-CQSZACIVSA-N 2 1 322.474 2.698 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422830114 296340949 /nfs/dbraw/zinc/34/09/49/296340949.db2.gz IAGNRXJILFKMTI-QZTJIDSGSA-N 2 1 312.461 2.733 20 0 DFADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422828394 296340276 /nfs/dbraw/zinc/34/02/76/296340276.db2.gz APYVSWHYAPMFDO-RWQQGDIJSA-N 2 1 301.478 2.627 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000422832443 296341507 /nfs/dbraw/zinc/34/15/07/296341507.db2.gz VBPDDGDJQSJVOV-IAGOWNOFSA-N 2 1 306.413 2.995 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836149 296341984 /nfs/dbraw/zinc/34/19/84/296341984.db2.gz JIZALDYEKZKJLM-BJYDCXRDSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836149 296341985 /nfs/dbraw/zinc/34/19/85/296341985.db2.gz JIZALDYEKZKJLM-BJYDCXRDSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836151 296342152 /nfs/dbraw/zinc/34/21/52/296342152.db2.gz JIZALDYEKZKJLM-QRTFOUQQSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836151 296342153 /nfs/dbraw/zinc/34/21/53/296342153.db2.gz JIZALDYEKZKJLM-QRTFOUQQSA-N 2 1 313.489 2.770 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000422844087 296343347 /nfs/dbraw/zinc/34/33/47/296343347.db2.gz KTUPTJDIHXDOAR-HZPDHXFCSA-N 2 1 311.539 2.598 20 0 DFADMP [NH3+]CC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000422844597 296343781 /nfs/dbraw/zinc/34/37/81/296343781.db2.gz MIDPLSXYTRPXLU-UHFFFAOYSA-N 3 1 315.505 2.801 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000347071443 285012403 /nfs/dbraw/zinc/01/24/03/285012403.db2.gz QCWQVWPEENVJTD-RYUDHWBXSA-N 2 1 320.387 2.914 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000347071443 285012404 /nfs/dbraw/zinc/01/24/04/285012404.db2.gz QCWQVWPEENVJTD-RYUDHWBXSA-N 2 1 320.387 2.914 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@@H]2C)CC1 ZINC000358408907 285013474 /nfs/dbraw/zinc/01/34/74/285013474.db2.gz VMHPNFIAZDLSCC-QMTMVMCOSA-N 2 1 318.461 2.640 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422863266 296346711 /nfs/dbraw/zinc/34/67/11/296346711.db2.gz RMWMXGRRTRXXJX-DOMZBBRYSA-N 2 1 309.841 2.707 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000422858286 296345902 /nfs/dbraw/zinc/34/59/02/296345902.db2.gz IHASPGMILVIDLF-HIFRSBDPSA-N 2 1 306.450 2.569 20 0 DFADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[NH2+]CC[C@H]3C)cc2)n1 ZINC000422869563 296347849 /nfs/dbraw/zinc/34/78/49/296347849.db2.gz XNGUHRMHFNRXQK-AUUYWEPGSA-N 2 1 312.461 2.619 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c(N2CCOCC2)c1 ZINC000422867735 296347506 /nfs/dbraw/zinc/34/75/06/296347506.db2.gz SSEHSYCCFSRASU-ROUUACIJSA-N 2 1 317.477 2.581 20 0 DFADMP CCOCCOCc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422867547 296347555 /nfs/dbraw/zinc/34/75/55/296347555.db2.gz SHDROFAMKOFHPI-RTBURBONSA-N 2 1 320.477 2.989 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422878073 296349146 /nfs/dbraw/zinc/34/91/46/296349146.db2.gz IVQXDMREIPIQIX-ZRSRNVLSSA-N 2 1 307.526 2.865 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422878073 296349148 /nfs/dbraw/zinc/34/91/48/296349148.db2.gz IVQXDMREIPIQIX-ZRSRNVLSSA-N 3 1 307.526 2.865 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422878073 296349149 /nfs/dbraw/zinc/34/91/49/296349149.db2.gz IVQXDMREIPIQIX-ZRSRNVLSSA-N 3 1 307.526 2.865 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN1C[C@H](C)C[C@@H](C)C1 ZINC000422874534 296348453 /nfs/dbraw/zinc/34/84/53/296348453.db2.gz AIBAONOFTUJNFB-FPCVCCKLSA-N 2 1 318.509 2.866 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874840 296348646 /nfs/dbraw/zinc/34/86/46/296348646.db2.gz DINFTDGXKHFZPP-MNEFBYGVSA-N 2 1 301.478 2.888 20 0 DFADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422883555 296350256 /nfs/dbraw/zinc/35/02/56/296350256.db2.gz CJTJALBUFKARMQ-HRCADAONSA-N 2 1 324.852 2.595 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422887715 296351028 /nfs/dbraw/zinc/35/10/28/296351028.db2.gz YZVXWQDCEBHGHZ-XHSDSOJGSA-N 2 1 304.482 2.903 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422887715 296351029 /nfs/dbraw/zinc/35/10/29/296351029.db2.gz YZVXWQDCEBHGHZ-XHSDSOJGSA-N 3 1 304.482 2.903 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422887715 296351030 /nfs/dbraw/zinc/35/10/30/296351030.db2.gz YZVXWQDCEBHGHZ-XHSDSOJGSA-N 3 1 304.482 2.903 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000422892449 296351443 /nfs/dbraw/zinc/35/14/43/296351443.db2.gz YPCPPJCMZITFHB-QAETUUGQSA-N 3 1 303.494 2.858 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422892446 296351528 /nfs/dbraw/zinc/35/15/28/296351528.db2.gz YPCPPJCMZITFHB-CNMWIUBYSA-N 2 1 303.494 2.858 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422892446 296351529 /nfs/dbraw/zinc/35/15/29/296351529.db2.gz YPCPPJCMZITFHB-CNMWIUBYSA-N 3 1 303.494 2.858 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422892446 296351530 /nfs/dbraw/zinc/35/15/30/296351530.db2.gz YPCPPJCMZITFHB-CNMWIUBYSA-N 3 1 303.494 2.858 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422891961 296351569 /nfs/dbraw/zinc/35/15/69/296351569.db2.gz WZTHCQNMJNJXHI-QLFBSQMISA-N 2 1 304.482 2.762 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000422891961 296351570 /nfs/dbraw/zinc/35/15/70/296351570.db2.gz WZTHCQNMJNJXHI-QLFBSQMISA-N 2 1 304.482 2.762 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CN[C@H](C)[C@@H]2CCC[NH2+]2)cc1F ZINC000422899386 296352883 /nfs/dbraw/zinc/35/28/83/296352883.db2.gz HIWKNXDWOGNEER-WBMJQRKESA-N 2 1 302.397 2.550 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC([NH3+])CC2)cc1F ZINC000422900431 296353113 /nfs/dbraw/zinc/35/31/13/296353113.db2.gz JEIQDEWHMJTWDO-UHFFFAOYSA-N 3 1 302.397 2.679 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422902126 296353362 /nfs/dbraw/zinc/35/33/62/296353362.db2.gz TUBHYUJKQBRBQN-IRXDYDNUSA-N 2 1 301.478 2.547 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902727 296353482 /nfs/dbraw/zinc/35/34/82/296353482.db2.gz VEHVZEKNTQKYSW-IAGOWNOFSA-N 2 1 302.466 2.822 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422892555 296351927 /nfs/dbraw/zinc/35/19/27/296351927.db2.gz NHAPWHUGIXCOFT-IRXDYDNUSA-N 2 1 303.450 2.576 20 0 DFADMP Fc1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422895428 296352284 /nfs/dbraw/zinc/35/22/84/296352284.db2.gz VZBNQKWXEILHFX-AEFFLSMTSA-N 2 1 313.376 2.566 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+]CCCOC3CCOCC3)CC[NH2+]2)cc1 ZINC000422914970 296355326 /nfs/dbraw/zinc/35/53/26/296355326.db2.gz ACISZGXHAXYDSN-IEBWSBKVSA-N 2 1 318.461 2.655 20 0 DFADMP CCN1CC[NH+](Cc2ccc(NC3CCC([NH3+])CC3)cc2)CC1 ZINC000422920456 296355833 /nfs/dbraw/zinc/35/58/33/296355833.db2.gz MCCZGVCSYHSXKP-UHFFFAOYSA-N 2 1 316.493 2.506 20 0 DFADMP C[C@@H]1C[C@@H](N(C)c2nc3ccccc3n3cncc23)CC[N@H+]1C ZINC000623992006 399516546 /nfs/dbraw/zinc/51/65/46/399516546.db2.gz ZCGHJNQHJDBLPB-KGLIPLIRSA-N 2 1 309.417 2.801 20 0 DFADMP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]1 ZINC000422912196 296354901 /nfs/dbraw/zinc/35/49/01/296354901.db2.gz MOUGAZHVJGYKLK-NEPJUHHUSA-N 2 1 308.376 2.704 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc(-c2ccncc2)cs1 ZINC000422910954 296354945 /nfs/dbraw/zinc/35/49/45/296354945.db2.gz JPTGPJSDSUGGBZ-OCCSQVGLSA-N 2 1 302.447 2.998 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422930022 296356775 /nfs/dbraw/zinc/35/67/75/296356775.db2.gz ATLRQLJZJSLPEM-PBHICJAKSA-N 2 1 310.445 2.578 20 0 DFADMP Cc1cccc(NCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000422924108 296356233 /nfs/dbraw/zinc/35/62/33/296356233.db2.gz XQPYIRXIVWSOHT-ZWKOTPCHSA-N 2 1 310.445 2.885 20 0 DFADMP c1ccc(CCOCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887046 399518035 /nfs/dbraw/zinc/51/80/35/399518035.db2.gz LPJZEQWDMZZNJC-RBUKOAKNSA-N 2 1 302.462 2.710 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887046 399518040 /nfs/dbraw/zinc/51/80/40/399518040.db2.gz LPJZEQWDMZZNJC-RBUKOAKNSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000422941206 296358652 /nfs/dbraw/zinc/35/86/52/296358652.db2.gz OIJKBSSDNBZKID-JFIYKMOQSA-N 2 1 317.477 2.592 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347501857 285060781 /nfs/dbraw/zinc/06/07/81/285060781.db2.gz MUYWVOYFWFDPCK-CQSZACIVSA-N 2 1 315.461 2.530 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1 ZINC000422935972 296357609 /nfs/dbraw/zinc/35/76/09/296357609.db2.gz LLDVPYCXTMULHP-UWVGGRQHSA-N 2 1 301.228 2.673 20 0 DFADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422946664 296359211 /nfs/dbraw/zinc/35/92/11/296359211.db2.gz XAEYGXJHOXKWEQ-QZTJIDSGSA-N 2 1 317.477 2.966 20 0 DFADMP C[C@@H](CCC[NH3+])Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422956512 296360765 /nfs/dbraw/zinc/36/07/65/296360765.db2.gz PUCLYXHNLQHHNW-HRCADAONSA-N 2 1 305.466 2.835 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000422950806 296360118 /nfs/dbraw/zinc/36/01/18/296360118.db2.gz ZBACGYAKCMRJPY-GHMZBOCLSA-N 2 1 313.239 2.545 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422952609 296360315 /nfs/dbraw/zinc/36/03/15/296360315.db2.gz BNGSZRVGVJALCS-UKRRQHHQSA-N 2 1 316.474 2.725 20 0 DFADMP c1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC2CCCC2)n1 ZINC000422965036 296362028 /nfs/dbraw/zinc/36/20/28/296362028.db2.gz NKBZAROFFLSDLT-XYPWUTKMSA-N 2 1 301.434 2.776 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000422967346 296362665 /nfs/dbraw/zinc/36/26/65/296362665.db2.gz OYFJUNUJJDJKDQ-SZMVWBNQSA-N 2 1 304.478 2.909 20 0 DFADMP COCCOc1ncccc1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000422970091 296363057 /nfs/dbraw/zinc/36/30/57/296363057.db2.gz FJJGSYMLRPHOEX-DOTOQJQBSA-N 2 1 321.465 2.507 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000422997477 296365102 /nfs/dbraw/zinc/36/51/02/296365102.db2.gz BJKNLJGIQWORTJ-SJLPKXTDSA-N 3 1 301.478 2.629 20 0 DFADMP COc1cc(C)[nH+]c(CN2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000270187719 208251593 /nfs/dbraw/zinc/25/15/93/208251593.db2.gz ARTHIBBWEOBXAI-QGZVFWFLSA-N 2 1 303.450 2.849 20 0 DFADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c2c(c1)OCCCO2 ZINC000422995244 296365287 /nfs/dbraw/zinc/36/52/87/296365287.db2.gz XMVUAGDYMLGDEA-GVDBMIGSSA-N 2 1 316.445 2.858 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000422996758 296365328 /nfs/dbraw/zinc/36/53/28/296365328.db2.gz UHVQCMDPLMECBD-CYBMUJFWSA-N 3 1 304.482 2.762 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423005334 296366315 /nfs/dbraw/zinc/36/63/15/296366315.db2.gz RMPFAMLAMJEQSC-UHOSZYNNSA-N 2 1 303.494 2.655 20 0 DFADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1nc(-c2ccccc2)no1 ZINC000423017386 296368038 /nfs/dbraw/zinc/36/80/38/296368038.db2.gz WGGLLZPTTXGKEY-CHWSQXEVSA-N 2 1 323.400 2.998 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423029776 296369779 /nfs/dbraw/zinc/36/97/79/296369779.db2.gz VKZJUBSGUPPTIV-WQGACYEGSA-N 2 1 311.832 2.788 20 0 DFADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423046525 296371512 /nfs/dbraw/zinc/37/15/12/296371512.db2.gz FMBFDNCCCUIJOC-CGTJXYLNSA-N 2 1 314.429 2.988 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000423045696 296371596 /nfs/dbraw/zinc/37/15/96/296371596.db2.gz DGENKWGFTGRCDY-MEDUHNTESA-N 2 1 301.365 2.772 20 0 DFADMP CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000423046378 296371743 /nfs/dbraw/zinc/37/17/43/296371743.db2.gz DLQRVXPFJZKGBR-NVXWUHKLSA-N 2 1 300.450 2.626 20 0 DFADMP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423054354 296372927 /nfs/dbraw/zinc/37/29/27/296372927.db2.gz UOIIYSMOFZKFSQ-DMRZNYOFSA-N 2 1 306.475 2.872 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000159168138 197332211 /nfs/dbraw/zinc/33/22/11/197332211.db2.gz JZTBCPQLCQKPMU-JSGCOSHPSA-N 2 1 324.852 2.726 20 0 DFADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423063949 296373918 /nfs/dbraw/zinc/37/39/18/296373918.db2.gz QDXQPCBTDCDYFU-FVQBIDKESA-N 2 1 312.816 2.726 20 0 DFADMP CC[C@H](NCC[N@H+](CC)CCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423070204 296374909 /nfs/dbraw/zinc/37/49/09/296374909.db2.gz FSNROUOBVVNJIX-UONOGXRCSA-N 2 1 309.420 2.771 20 0 DFADMP CC[C@H](NCC[N@@H+](CC)CCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423070204 296374910 /nfs/dbraw/zinc/37/49/10/296374910.db2.gz FSNROUOBVVNJIX-UONOGXRCSA-N 2 1 309.420 2.771 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)s1 ZINC000158949665 197312983 /nfs/dbraw/zinc/31/29/83/197312983.db2.gz CKGAGDXAKGEPLK-HIFRSBDPSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)s1 ZINC000158949665 197312985 /nfs/dbraw/zinc/31/29/85/197312985.db2.gz CKGAGDXAKGEPLK-HIFRSBDPSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000158949665 197312986 /nfs/dbraw/zinc/31/29/86/197312986.db2.gz CKGAGDXAKGEPLK-HIFRSBDPSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)s1 ZINC000158949665 197312988 /nfs/dbraw/zinc/31/29/88/197312988.db2.gz CKGAGDXAKGEPLK-HIFRSBDPSA-N 2 1 322.474 2.759 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423078768 296375966 /nfs/dbraw/zinc/37/59/66/296375966.db2.gz PGMAHFKCWHWSNH-CQSZACIVSA-N 3 1 304.482 2.621 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423091309 296377086 /nfs/dbraw/zinc/37/70/86/296377086.db2.gz ZWBJRLJBHHGJHM-YWBBTBBSSA-N 2 1 307.404 2.507 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423089996 296377149 /nfs/dbraw/zinc/37/71/49/296377149.db2.gz ULNLGGHADSAXKO-AWEZNQCLSA-N 2 1 304.482 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@H+]1CCCC(C)(C)C1 ZINC000423089996 296377151 /nfs/dbraw/zinc/37/71/51/296377151.db2.gz ULNLGGHADSAXKO-AWEZNQCLSA-N 2 1 304.482 2.621 20 0 DFADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423095436 296377460 /nfs/dbraw/zinc/37/74/60/296377460.db2.gz MDWQYOPKRWEVKN-SJQORLFUSA-N 2 1 318.436 2.818 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121455 399560260 /nfs/dbraw/zinc/56/02/60/399560260.db2.gz WUUGTLMBKWRPKT-LSDHHAIUSA-N 2 1 321.440 2.864 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110805 296379685 /nfs/dbraw/zinc/37/96/85/296379685.db2.gz VFRKHPQBDGURCO-WMLDXEAASA-N 2 1 305.441 2.904 20 0 DFADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423112503 296379760 /nfs/dbraw/zinc/37/97/60/296379760.db2.gz XKCJCFNBWXCRPQ-OSVATCMCSA-N 2 1 314.473 2.853 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)C[C@@H](C)[NH3+] ZINC000423110222 296379793 /nfs/dbraw/zinc/37/97/93/296379793.db2.gz OXNIRGICLDVZRU-NXEZZACHSA-N 2 1 306.328 2.809 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123953 399562789 /nfs/dbraw/zinc/56/27/89/399562789.db2.gz UPSNWPZTDSPNIF-IXDOHACOSA-N 2 1 304.482 2.768 20 0 DFADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423136789 296383002 /nfs/dbraw/zinc/38/30/02/296383002.db2.gz ZLILBXDAUICZMH-QRVBRYPASA-N 2 1 303.494 2.957 20 0 DFADMP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCCC[NH2+]1 ZINC000423136327 296383189 /nfs/dbraw/zinc/38/31/89/296383189.db2.gz PBUCJVNGORUWHX-FZMZJTMJSA-N 2 1 301.356 2.763 20 0 DFADMP COc1ncccc1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423140568 296383765 /nfs/dbraw/zinc/38/37/65/296383765.db2.gz MSFIQBXFHJZMKS-ROUUACIJSA-N 2 1 311.429 2.716 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423144112 296384141 /nfs/dbraw/zinc/38/41/41/296384141.db2.gz YMPRAINJXRLYFG-GJZGRUSLSA-N 2 1 304.482 2.699 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423137703 296383565 /nfs/dbraw/zinc/38/35/65/296383565.db2.gz WWPZIRAWDLUCTI-CHWSQXEVSA-N 2 1 300.381 2.563 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccco1 ZINC000120277477 195134427 /nfs/dbraw/zinc/13/44/27/195134427.db2.gz AAEGHVCPKCWXTK-OWCLPIDISA-N 2 1 321.465 2.652 20 0 DFADMP CSCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423158301 296386593 /nfs/dbraw/zinc/38/65/93/296386593.db2.gz NVWFZJQPNFPLEA-YWWDTZIBSA-N 2 1 312.523 2.655 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1N(C)C ZINC000423180342 296388968 /nfs/dbraw/zinc/38/89/68/296388968.db2.gz AUFXJNQXNCOGOL-INIZCTEOSA-N 2 1 312.461 2.978 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](CC2CCC(=O)CC2)CC1 ZINC000347762608 285163323 /nfs/dbraw/zinc/16/33/23/285163323.db2.gz ZESLRQAMALFZGC-UHFFFAOYSA-N 2 1 324.509 2.816 20 0 DFADMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1F ZINC000294654147 224144820 /nfs/dbraw/zinc/14/48/20/224144820.db2.gz BPNJRMGRBXKZHR-OAHLLOKOSA-N 2 1 308.441 2.659 20 0 DFADMP COc1ccc(C[C@@H]([NH2+]CC[NH3+])c2ccc(OC)cc2)cc1 ZINC000423179193 296388860 /nfs/dbraw/zinc/38/88/60/296388860.db2.gz JCURSFJAROHTNG-GOSISDBHSA-N 2 1 300.402 2.536 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423181752 296389220 /nfs/dbraw/zinc/38/92/20/296389220.db2.gz PKXJPMMNFHTVMV-FUHWJXTLSA-N 2 1 316.493 2.543 20 0 DFADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423183447 296389731 /nfs/dbraw/zinc/38/97/31/296389731.db2.gz RXXXJHTXHWOAGO-AEFFLSMTSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000423183447 296389732 /nfs/dbraw/zinc/38/97/32/296389732.db2.gz RXXXJHTXHWOAGO-AEFFLSMTSA-N 2 1 301.478 2.901 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000423193661 296390870 /nfs/dbraw/zinc/39/08/70/296390870.db2.gz XSCXYPZNRQRLFJ-IPMKNSEASA-N 2 1 317.477 2.746 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423205029 296392338 /nfs/dbraw/zinc/39/23/38/296392338.db2.gz BKGTZWDYTIIKSO-YRPNKDGESA-N 2 1 313.489 2.629 20 0 DFADMP C[C@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1Cc1ccccc1 ZINC000423209504 296392763 /nfs/dbraw/zinc/39/27/63/296392763.db2.gz GHYGYJQJNQIVPN-BJYDCXRDSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423209504 296392765 /nfs/dbraw/zinc/39/27/65/296392765.db2.gz GHYGYJQJNQIVPN-BJYDCXRDSA-N 2 1 313.489 2.912 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1OC ZINC000157400003 197184802 /nfs/dbraw/zinc/18/48/02/197184802.db2.gz VYSLPPZDHGKHCX-IPYPFGDCSA-N 2 1 322.449 2.846 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1OC ZINC000157400003 197184804 /nfs/dbraw/zinc/18/48/04/197184804.db2.gz VYSLPPZDHGKHCX-IPYPFGDCSA-N 2 1 322.449 2.846 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000423218155 296393801 /nfs/dbraw/zinc/39/38/01/296393801.db2.gz VDRVFPICLOCKJL-IEBWSBKVSA-N 3 1 315.505 2.671 20 0 DFADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232287 296395117 /nfs/dbraw/zinc/39/51/17/296395117.db2.gz IBPIQBFNAKMBRO-ZWNOBZJWSA-N 2 1 315.230 2.861 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000157231064 197171976 /nfs/dbraw/zinc/17/19/76/197171976.db2.gz CPORZCTUCIMYNX-GOSISDBHSA-N 2 1 315.461 2.966 20 0 DFADMP CCN(C#N)CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000602812580 399586473 /nfs/dbraw/zinc/58/64/73/399586473.db2.gz TXVMLZXUKDLKBH-IAGOWNOFSA-N 2 1 314.477 2.536 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423261227 296397888 /nfs/dbraw/zinc/39/78/88/296397888.db2.gz RUXCKKGAEVMOAW-NLWGTHIKSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423261227 296397889 /nfs/dbraw/zinc/39/78/89/296397889.db2.gz RUXCKKGAEVMOAW-NLWGTHIKSA-N 2 1 315.505 2.876 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1Br ZINC000423271424 296399055 /nfs/dbraw/zinc/39/90/55/296399055.db2.gz HKIWXBBEPXDIKN-ZANVPECISA-N 2 1 313.239 2.846 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C[NH2+]1 ZINC000629397532 399593897 /nfs/dbraw/zinc/59/38/97/399593897.db2.gz XDNMLIHJRSOHAG-IUODEOHRSA-N 2 1 309.404 2.664 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423265796 296398662 /nfs/dbraw/zinc/39/86/62/296398662.db2.gz RJBSIKCVKLKPBF-KDOFPFPSSA-N 2 1 317.477 2.947 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1ncc(Br)cc1F ZINC000423269443 296398836 /nfs/dbraw/zinc/39/88/36/296398836.db2.gz HFAPLPRHOUOCPU-YGOYTEALSA-N 2 1 316.218 2.761 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(Br)cc1F ZINC000423327204 296404877 /nfs/dbraw/zinc/40/48/77/296404877.db2.gz DAYKGCMPHCYPNP-ZJUUUORDSA-N 2 1 301.203 2.848 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624218206 399601558 /nfs/dbraw/zinc/60/15/58/399601558.db2.gz VWXMAWHMZXCOFX-HWHMVJPJSA-N 2 1 300.446 2.543 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@H]1C ZINC000347877537 285220780 /nfs/dbraw/zinc/22/07/80/285220780.db2.gz ZGBMQQHAYOBTCR-UKRRQHHQSA-N 2 1 322.449 2.714 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@H]1C ZINC000347877537 285220784 /nfs/dbraw/zinc/22/07/84/285220784.db2.gz ZGBMQQHAYOBTCR-UKRRQHHQSA-N 2 1 322.449 2.714 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@H]1C ZINC000347877537 285220790 /nfs/dbraw/zinc/22/07/90/285220790.db2.gz ZGBMQQHAYOBTCR-UKRRQHHQSA-N 2 1 322.449 2.714 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@H]1C ZINC000347877537 285220796 /nfs/dbraw/zinc/22/07/96/285220796.db2.gz ZGBMQQHAYOBTCR-UKRRQHHQSA-N 2 1 322.449 2.714 20 0 DFADMP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423345967 296407052 /nfs/dbraw/zinc/40/70/52/296407052.db2.gz PHHUIOJWZCCVQX-NOZJJQNGSA-N 2 1 313.214 2.775 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)CC1 ZINC000625653470 399606052 /nfs/dbraw/zinc/60/60/52/399606052.db2.gz KPBLGWFJEKMRES-IYBDPMFKSA-N 2 1 317.468 2.626 20 0 DFADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@@H]1O ZINC000423411226 296414221 /nfs/dbraw/zinc/41/42/21/296414221.db2.gz UAHOVHLKEIGOMM-ZENOOKHLSA-N 2 1 302.418 2.535 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cn1C ZINC000347916887 285244015 /nfs/dbraw/zinc/24/40/15/285244015.db2.gz KXKPBHZOQZLLBY-OAHLLOKOSA-N 2 1 321.465 2.556 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]C1(CC(=O)OC(C)(C)C)CCCCC1 ZINC000602876772 399612626 /nfs/dbraw/zinc/61/26/26/399612626.db2.gz LFSCFNVVVFGZBZ-UHFFFAOYSA-N 2 1 321.465 2.987 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294810373 224235706 /nfs/dbraw/zinc/23/57/06/224235706.db2.gz NUDCYTFEKJNZNO-LMMKCTJWSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cnn(C2CCCC2)c1 ZINC000423463046 296418506 /nfs/dbraw/zinc/41/85/06/296418506.db2.gz AIQROMXAJBASRT-JSGCOSHPSA-N 2 1 312.408 2.894 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423478175 296419955 /nfs/dbraw/zinc/41/99/55/296419955.db2.gz MWTXERGDZYYKRU-MNOVXSKESA-N 2 1 301.406 2.663 20 0 DFADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423510300 296424287 /nfs/dbraw/zinc/42/42/87/296424287.db2.gz JMWHUCHDNGBDKN-MSOLQXFVSA-N 2 1 323.912 2.790 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccc1F ZINC000271554759 209007516 /nfs/dbraw/zinc/00/75/16/209007516.db2.gz VNNTUULPDLAMLN-MORSLUCNSA-N 2 1 306.425 2.854 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347991093 285287112 /nfs/dbraw/zinc/28/71/12/285287112.db2.gz BNVGWIOZVCZUGX-UHOSZYNNSA-N 2 1 302.462 2.913 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000271586625 209036658 /nfs/dbraw/zinc/03/66/58/209036658.db2.gz XPCLERFQMXSRSQ-ILXVDBEPSA-N 2 1 306.450 2.844 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000271586625 209036661 /nfs/dbraw/zinc/03/66/61/209036661.db2.gz XPCLERFQMXSRSQ-ILXVDBEPSA-N 2 1 306.450 2.844 20 0 DFADMP Cc1cc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C2CC2)ccc1F ZINC000289482230 221006939 /nfs/dbraw/zinc/00/69/39/221006939.db2.gz IOAQWYZLQKEAJO-SJLPKXTDSA-N 2 1 306.425 2.630 20 0 DFADMP Cc1cc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C2CC2)ccc1F ZINC000289482230 221006942 /nfs/dbraw/zinc/00/69/42/221006942.db2.gz IOAQWYZLQKEAJO-SJLPKXTDSA-N 2 1 306.425 2.630 20 0 DFADMP CCC[C@H](C)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000629517011 399632496 /nfs/dbraw/zinc/63/24/96/399632496.db2.gz XWQJFZZPHVLPCO-BZSNNMDCSA-N 2 1 323.525 2.783 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000629516606 399632584 /nfs/dbraw/zinc/63/25/84/399632584.db2.gz LNTCBDQXTAREPJ-BPQIPLTHSA-N 2 1 306.425 2.977 20 0 DFADMP CCOc1cccc2cc([C@H](C)[NH2+]CC3([NH3+])CCOCC3)oc21 ZINC000629525085 399635416 /nfs/dbraw/zinc/63/54/16/399635416.db2.gz RPGLNYBMRSFGJZ-ZDUSSCGKSA-N 2 1 318.417 2.990 20 0 DFADMP Cc1cc(Cl)cc2c1OCCC[C@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629525628 399636058 /nfs/dbraw/zinc/63/60/58/399636058.db2.gz YBAULYYAZNRTDH-OAHLLOKOSA-N 2 1 324.852 2.960 20 0 DFADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CCCO2 ZINC000629525663 399636819 /nfs/dbraw/zinc/63/68/19/399636819.db2.gz YOIRXEPMYDCJAN-INIZCTEOSA-N 2 1 304.434 2.615 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000289990705 221364347 /nfs/dbraw/zinc/36/43/47/221364347.db2.gz SHAZDIPNUKNPDS-NSHDSACASA-N 2 1 302.340 2.842 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000289990705 221364348 /nfs/dbraw/zinc/36/43/48/221364348.db2.gz SHAZDIPNUKNPDS-NSHDSACASA-N 2 1 302.340 2.842 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000289974202 221353812 /nfs/dbraw/zinc/35/38/12/221353812.db2.gz XNHLZRBUVQGASI-NEPJUHHUSA-N 2 1 324.266 2.979 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC000629534890 399638841 /nfs/dbraw/zinc/63/88/41/399638841.db2.gz BQPZQADKEGYXDL-QEORTHHSSA-N 2 1 324.852 2.764 20 0 DFADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294946834 224331434 /nfs/dbraw/zinc/33/14/34/224331434.db2.gz FEHNVBDVAYPTKQ-NJAFHUGGSA-N 2 1 304.503 2.892 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@H]3CC)c2C1 ZINC000290062969 221409227 /nfs/dbraw/zinc/40/92/27/221409227.db2.gz UTQAFGZUPHXFFZ-ZBFHGGJFSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@H]3CC)c2C1 ZINC000290062969 221409228 /nfs/dbraw/zinc/40/92/28/221409228.db2.gz UTQAFGZUPHXFFZ-ZBFHGGJFSA-N 2 1 301.434 2.739 20 0 DFADMP Brc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)s1 ZINC000624358046 399652812 /nfs/dbraw/zinc/65/28/12/399652812.db2.gz USHIYEMMGXUCMJ-VIFPVBQESA-N 2 1 312.236 2.812 20 0 DFADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629576381 399653409 /nfs/dbraw/zinc/65/34/09/399653409.db2.gz UIMOQFAMMZKVNX-IRXDYDNUSA-N 2 1 318.436 2.915 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3ccnn3c2)CC1 ZINC000624366572 399654891 /nfs/dbraw/zinc/65/48/91/399654891.db2.gz VJJWHOSTOKBNBZ-UHFFFAOYSA-N 2 1 315.465 2.673 20 0 DFADMP C[N@@H+](C[C@H](O)CNCc1ccc(-c2ccccc2)s1)C1CC1 ZINC000629585875 399655555 /nfs/dbraw/zinc/65/55/55/399655555.db2.gz GOCHMNMWEQDYKC-MRXNPFEDSA-N 2 1 316.470 2.960 20 0 DFADMP CN(C[C@H](O)C[NH2+]Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000629585875 399655559 /nfs/dbraw/zinc/65/55/59/399655559.db2.gz GOCHMNMWEQDYKC-MRXNPFEDSA-N 2 1 316.470 2.960 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000617347386 399672565 /nfs/dbraw/zinc/67/25/65/399672565.db2.gz LMCLSNPEPIMQJG-JKSUJKDBSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000617347386 399672567 /nfs/dbraw/zinc/67/25/67/399672567.db2.gz LMCLSNPEPIMQJG-JKSUJKDBSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000617347386 399672570 /nfs/dbraw/zinc/67/25/70/399672570.db2.gz LMCLSNPEPIMQJG-JKSUJKDBSA-N 2 1 321.509 2.630 20 0 DFADMP CCc1ccc([C@H](CC)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000629549215 399643654 /nfs/dbraw/zinc/64/36/54/399643654.db2.gz SUYDZMMETWEKSX-ROUUACIJSA-N 2 1 313.449 2.616 20 0 DFADMP C[C@H]1C[C@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000629547323 399643800 /nfs/dbraw/zinc/64/38/00/399643800.db2.gz MJARIHGHPOVKNA-BBRMVZONSA-N 2 1 302.466 2.712 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2Cl)C1 ZINC000629549100 399644329 /nfs/dbraw/zinc/64/43/29/399644329.db2.gz QDWUYVSBPHUZHF-XOKHGSTOSA-N 2 1 324.852 2.906 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629562863 399650488 /nfs/dbraw/zinc/65/04/88/399650488.db2.gz CVLIAGLPFUNMTE-RISCZKNCSA-N 2 1 320.330 2.664 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629562863 399650493 /nfs/dbraw/zinc/65/04/93/399650493.db2.gz CVLIAGLPFUNMTE-RISCZKNCSA-N 2 1 320.330 2.664 20 0 DFADMP Cc1nc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629564086 399651191 /nfs/dbraw/zinc/65/11/91/399651191.db2.gz RJSDGNVJQJZBQJ-WDEREUQCSA-N 2 1 307.385 2.719 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629564086 399651196 /nfs/dbraw/zinc/65/11/96/399651196.db2.gz RJSDGNVJQJZBQJ-WDEREUQCSA-N 2 1 307.385 2.719 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000629655385 399677410 /nfs/dbraw/zinc/67/74/10/399677410.db2.gz KFLGPOOSHTZXHE-KBPBESRZSA-N 2 1 314.351 2.581 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000629655385 399677414 /nfs/dbraw/zinc/67/74/14/399677414.db2.gz KFLGPOOSHTZXHE-KBPBESRZSA-N 2 1 314.351 2.581 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000629655388 399677480 /nfs/dbraw/zinc/67/74/80/399677480.db2.gz KFLGPOOSHTZXHE-ZIAGYGMSSA-N 2 1 314.351 2.581 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000629655388 399677483 /nfs/dbraw/zinc/67/74/83/399677483.db2.gz KFLGPOOSHTZXHE-ZIAGYGMSSA-N 2 1 314.351 2.581 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000629655554 399677741 /nfs/dbraw/zinc/67/77/41/399677741.db2.gz ZLVGUEPMEDDBPG-UHFFFAOYSA-N 2 1 317.408 2.556 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccncc2)cc1F ZINC000629655554 399677746 /nfs/dbraw/zinc/67/77/46/399677746.db2.gz ZLVGUEPMEDDBPG-UHFFFAOYSA-N 2 1 317.408 2.556 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccc(F)cc2)s1 ZINC000629661585 399679754 /nfs/dbraw/zinc/67/97/54/399679754.db2.gz CWYHPSURIJTAQW-UHFFFAOYSA-N 2 1 308.422 2.961 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2cccc(F)c2)s1 ZINC000629662191 399680852 /nfs/dbraw/zinc/68/08/52/399680852.db2.gz GCBNFSQPAVLEIV-UHFFFAOYSA-N 2 1 308.422 2.961 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(-c2cnn(C)c2)c1 ZINC000629666047 399682973 /nfs/dbraw/zinc/68/29/73/399682973.db2.gz MGDIGQNSCNJKOD-BGYRXZFFSA-N 2 1 324.472 2.827 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000629668012 399683094 /nfs/dbraw/zinc/68/30/94/399683094.db2.gz WKHGOWQTIIHWGG-CALCHBBNSA-N 2 1 310.388 2.762 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000629668012 399683099 /nfs/dbraw/zinc/68/30/99/399683099.db2.gz WKHGOWQTIIHWGG-CALCHBBNSA-N 2 1 310.388 2.762 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000629669891 399684183 /nfs/dbraw/zinc/68/41/83/399684183.db2.gz YVHCFIHYXVDAEG-ZOCIIQOWSA-N 2 1 320.452 2.944 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617352554 399675375 /nfs/dbraw/zinc/67/53/75/399675375.db2.gz ZAQBQURJRVMUAH-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+]Cc2cccc(C3CCCC3)c2)n1 ZINC000629652154 399676243 /nfs/dbraw/zinc/67/62/43/399676243.db2.gz BNTPTEQOXLRVHO-UHFFFAOYSA-N 2 1 312.417 2.588 20 0 DFADMP [NH3+]CCOc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000629733381 399706257 /nfs/dbraw/zinc/70/62/57/399706257.db2.gz PKOSMIYTTKDMOG-UHFFFAOYSA-N 2 1 312.413 2.523 20 0 DFADMP Cc1cc(-c2ccccc2CN2CC[NH+](C)CC2)ccc1C[NH3+] ZINC000629735370 399707430 /nfs/dbraw/zinc/70/74/30/399707430.db2.gz TUGNGZJACKQBRB-UHFFFAOYSA-N 2 1 309.457 2.868 20 0 DFADMP C[C@@H]([NH3+])Cc1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000629734919 399707596 /nfs/dbraw/zinc/70/75/96/399707596.db2.gz AJFVTRUETVXYTP-QGZVFWFLSA-N 2 1 323.484 2.991 20 0 DFADMP COCC[C@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000088546712 542527423 /nfs/dbraw/zinc/52/74/23/542527423.db2.gz UPEFYFIYWOXLNH-YESZJQIVSA-N 2 1 312.498 2.623 20 0 DFADMP CCC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088670593 542528955 /nfs/dbraw/zinc/52/89/55/542528955.db2.gz SOIDRABGOANWHZ-FXAWDEMLSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088670593 542528958 /nfs/dbraw/zinc/52/89/58/542528958.db2.gz SOIDRABGOANWHZ-FXAWDEMLSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000090417515 542537040 /nfs/dbraw/zinc/53/70/40/542537040.db2.gz WIIGIZUANSEQGQ-JSGCOSHPSA-N 2 1 309.479 2.603 20 0 DFADMP CC1(C)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000091917953 542543724 /nfs/dbraw/zinc/54/37/24/542543724.db2.gz JLLHEGCMLDIJSV-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000091917953 542543728 /nfs/dbraw/zinc/54/37/28/542543728.db2.gz JLLHEGCMLDIJSV-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507627 399720019 /nfs/dbraw/zinc/72/00/19/399720019.db2.gz CUZMTXAVULSIHK-AWEZNQCLSA-N 2 1 323.481 2.713 20 0 DFADMP Cc1oc(C(C)C)cc1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507627 399720024 /nfs/dbraw/zinc/72/00/24/399720024.db2.gz CUZMTXAVULSIHK-AWEZNQCLSA-N 2 1 323.481 2.713 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000617504804 399720047 /nfs/dbraw/zinc/72/00/47/399720047.db2.gz KTGMDFQHVYWKMR-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCCC[C@@H]1C ZINC000617504804 399720051 /nfs/dbraw/zinc/72/00/51/399720051.db2.gz KTGMDFQHVYWKMR-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507952 399720644 /nfs/dbraw/zinc/72/06/44/399720644.db2.gz PNYCXBKDWLOQRK-GVDBMIGSSA-N 2 1 311.514 2.591 20 0 DFADMP CCC[C@@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507952 399720646 /nfs/dbraw/zinc/72/06/46/399720646.db2.gz PNYCXBKDWLOQRK-GVDBMIGSSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000617505567 399720469 /nfs/dbraw/zinc/72/04/69/399720469.db2.gz IKTHDHZHPURHLI-JQHSSLGASA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@@H]1C1CCCCC1 ZINC000617505567 399720473 /nfs/dbraw/zinc/72/04/73/399720473.db2.gz IKTHDHZHPURHLI-JQHSSLGASA-N 2 1 323.525 2.591 20 0 DFADMP CCn1nccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119474284 542573421 /nfs/dbraw/zinc/57/34/21/542573421.db2.gz NBVBJNNCYXVZSI-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000119474284 542573423 /nfs/dbraw/zinc/57/34/23/542573423.db2.gz NBVBJNNCYXVZSI-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119474284 542573426 /nfs/dbraw/zinc/57/34/26/542573426.db2.gz NBVBJNNCYXVZSI-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119474284 542573429 /nfs/dbraw/zinc/57/34/29/542573429.db2.gz NBVBJNNCYXVZSI-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CC(C)(C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000348112117 285357021 /nfs/dbraw/zinc/35/70/21/285357021.db2.gz VZMYPRDGDSPATM-STQMWFEESA-N 2 1 308.388 2.950 20 0 DFADMP CCCOc1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1OC ZINC000121023143 195282041 /nfs/dbraw/zinc/28/20/41/195282041.db2.gz KHQXBKRYRLTMNL-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC ZINC000121023143 195282042 /nfs/dbraw/zinc/28/20/42/195282042.db2.gz KHQXBKRYRLTMNL-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1OC ZINC000121023143 195282044 /nfs/dbraw/zinc/28/20/44/195282044.db2.gz KHQXBKRYRLTMNL-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1OC ZINC000121023143 195282045 /nfs/dbraw/zinc/28/20/45/195282045.db2.gz KHQXBKRYRLTMNL-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000121133140 195297078 /nfs/dbraw/zinc/29/70/78/195297078.db2.gz MBVFIOHBHMTDOX-QDLOVBKTSA-N 2 1 320.452 2.864 20 0 DFADMP COCC[N@H+](CCOc1ccc(F)cc1)CC[C@@H]1CCC[NH+]1C ZINC000121150187 195299883 /nfs/dbraw/zinc/29/98/83/195299883.db2.gz VFQDADKROBVESP-KRWDZBQOSA-N 2 1 324.440 2.637 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)CC[C@@H]1CCC[NH+]1C ZINC000121150187 195299885 /nfs/dbraw/zinc/29/98/85/195299885.db2.gz VFQDADKROBVESP-KRWDZBQOSA-N 2 1 324.440 2.637 20 0 DFADMP COCC[NH+](CCOc1ccc(F)cc1)CC[C@@H]1CCC[N@@H+]1C ZINC000121150187 195299888 /nfs/dbraw/zinc/29/98/88/195299888.db2.gz VFQDADKROBVESP-KRWDZBQOSA-N 2 1 324.440 2.637 20 0 DFADMP COCC[NH+](CCOc1ccc(F)cc1)CC[C@@H]1CCC[N@H+]1C ZINC000121150187 195299891 /nfs/dbraw/zinc/29/98/91/195299891.db2.gz VFQDADKROBVESP-KRWDZBQOSA-N 2 1 324.440 2.637 20 0 DFADMP COc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1O ZINC000121774611 195345123 /nfs/dbraw/zinc/34/51/23/195345123.db2.gz WWELPUPSKOWPQB-UHFFFAOYSA-N 2 1 315.417 2.589 20 0 DFADMP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000348140404 285377535 /nfs/dbraw/zinc/37/75/35/285377535.db2.gz KCGICKLOCVCOBF-MJGOQNOKSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000348140402 285377609 /nfs/dbraw/zinc/37/76/09/285377609.db2.gz KCGICKLOCVCOBF-HKUYNNGSSA-N 2 1 324.472 2.828 20 0 DFADMP CC[N@@H+](CCCc1nc(C)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062808 399741103 /nfs/dbraw/zinc/74/11/03/399741103.db2.gz HJAZXSBOIMOMJI-UHFFFAOYSA-N 2 1 316.449 2.894 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2cncnc2)CC[N@H+]1Cc1ccccc1 ZINC000124054562 542595937 /nfs/dbraw/zinc/59/59/37/542595937.db2.gz NXUACOVWZWKTGW-QFBILLFUSA-N 2 1 310.445 2.962 20 0 DFADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000273058915 130087234 /nfs/dbraw/zinc/08/72/34/130087234.db2.gz YGGJJOJHIHYOPF-UHFFFAOYSA-N 2 1 318.852 2.959 20 0 DFADMP C[C@@H](C[N@@H+](CCO)C1CCN(C)CC1)c1cccc(Cl)c1 ZINC000275757113 130379428 /nfs/dbraw/zinc/37/94/28/130379428.db2.gz UCIVVWDXEBOVIH-AWEZNQCLSA-N 2 1 310.869 2.832 20 0 DFADMP C[N@@H+](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CCC1 ZINC000629973369 399776842 /nfs/dbraw/zinc/77/68/42/399776842.db2.gz FHKXHYAVPBJOTQ-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+](C)CCCc1c[nH+]cn1C ZINC000621388699 399779956 /nfs/dbraw/zinc/77/99/56/399779956.db2.gz GMFHTZGWEOGXNG-UHFFFAOYSA-N 2 1 302.422 2.505 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)CCCc1c[nH+]cn1C ZINC000621388699 399779960 /nfs/dbraw/zinc/77/99/60/399779960.db2.gz GMFHTZGWEOGXNG-UHFFFAOYSA-N 2 1 302.422 2.505 20 0 DFADMP C/C=C/C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162674 399781418 /nfs/dbraw/zinc/78/14/18/399781418.db2.gz XPQXQYBRTHZFJJ-LAQIPUCWSA-N 2 1 321.509 2.654 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348307045 285484276 /nfs/dbraw/zinc/48/42/76/285484276.db2.gz PZCMJPQESLBOKH-RDBSUJKOSA-N 2 1 308.388 2.950 20 0 DFADMP COc1ccncc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000287812510 131301492 /nfs/dbraw/zinc/30/14/92/131301492.db2.gz PGFAXSVTJJJSPQ-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4CC[C@@H]3O4)CC2)cc1 ZINC000158057938 542710701 /nfs/dbraw/zinc/71/07/01/542710701.db2.gz AJPRENZXSXJCHD-QRVBRYPASA-N 2 1 300.446 2.603 20 0 DFADMP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000603544908 399788315 /nfs/dbraw/zinc/78/83/15/399788315.db2.gz YHURJTWSISRGNJ-KRWDZBQOSA-N 2 1 321.509 2.776 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000603544908 399788318 /nfs/dbraw/zinc/78/83/18/399788318.db2.gz YHURJTWSISRGNJ-KRWDZBQOSA-N 2 1 321.509 2.776 20 0 DFADMP COCC[N@H+](C)CCCC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162567698 542737554 /nfs/dbraw/zinc/73/75/54/542737554.db2.gz JJXAHEANNXRKFR-UHFFFAOYSA-N 2 1 320.481 2.668 20 0 DFADMP COCC[N@@H+](C)CCCC1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162567698 542737557 /nfs/dbraw/zinc/73/75/57/542737557.db2.gz JJXAHEANNXRKFR-UHFFFAOYSA-N 2 1 320.481 2.668 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166030863 542749558 /nfs/dbraw/zinc/74/95/58/542749558.db2.gz IYLJLOUOCIRATF-VQTJNVASSA-N 3 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166030863 542749563 /nfs/dbraw/zinc/74/95/63/542749563.db2.gz IYLJLOUOCIRATF-VQTJNVASSA-N 2 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166030863 542749567 /nfs/dbraw/zinc/74/95/67/542749567.db2.gz IYLJLOUOCIRATF-VQTJNVASSA-N 2 1 313.489 2.999 20 0 DFADMP COC(=O)c1oc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1C ZINC000603658744 399796910 /nfs/dbraw/zinc/79/69/10/399796910.db2.gz XMIDUKAGBQZCFO-UHFFFAOYSA-N 2 1 316.401 2.726 20 0 DFADMP Cc1cc(NC(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cn2cc[nH+]c12 ZINC000632950072 399805247 /nfs/dbraw/zinc/80/52/47/399805247.db2.gz WIUSWFQMMWCVNK-CYBMUJFWSA-N 2 1 315.421 2.542 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183303560 542799318 /nfs/dbraw/zinc/79/93/18/542799318.db2.gz CNKSWJXZYUJHGB-UHFFFAOYSA-N 2 1 313.445 2.513 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000183303560 542799319 /nfs/dbraw/zinc/79/93/19/542799319.db2.gz CNKSWJXZYUJHGB-UHFFFAOYSA-N 2 1 313.445 2.513 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC(C)(C)[NH3+])cc1 ZINC000237518553 542903089 /nfs/dbraw/zinc/90/30/89/542903089.db2.gz DFNPETGUAHIALU-HNNXBMFYSA-N 2 1 317.477 2.805 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC(C)(C)[NH3+] ZINC000237519427 542903127 /nfs/dbraw/zinc/90/31/27/542903127.db2.gz SDGRZEWFXPMPLT-HNNXBMFYSA-N 2 1 317.477 2.805 20 0 DFADMP Fc1cccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1F ZINC000424287591 296498909 /nfs/dbraw/zinc/49/89/09/296498909.db2.gz JBOWMQJXCMWROY-UHFFFAOYSA-N 2 1 318.371 2.602 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000280606881 542988966 /nfs/dbraw/zinc/98/89/66/542988966.db2.gz XZDJJJUVNNPTGJ-HDICACEKSA-N 2 1 308.429 2.662 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)nc(C)[nH+]1 ZINC000280606881 542988969 /nfs/dbraw/zinc/98/89/69/542988969.db2.gz XZDJJJUVNNPTGJ-HDICACEKSA-N 2 1 308.429 2.662 20 0 DFADMP Cc1[nH+]ccn1CCCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000348756970 285660550 /nfs/dbraw/zinc/66/05/50/285660550.db2.gz RPAZCEWCPOBKCU-QGZVFWFLSA-N 2 1 318.852 2.882 20 0 DFADMP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928287 399837961 /nfs/dbraw/zinc/83/79/61/399837961.db2.gz MVZIYMYNEHGLQH-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CC)C1 ZINC000617928287 399837964 /nfs/dbraw/zinc/83/79/64/399837964.db2.gz MVZIYMYNEHGLQH-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CC)C1 ZINC000617928287 399837967 /nfs/dbraw/zinc/83/79/67/399837967.db2.gz MVZIYMYNEHGLQH-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309754144 543065790 /nfs/dbraw/zinc/06/57/90/543065790.db2.gz WRFPMLSSJZKESJ-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309754144 543065791 /nfs/dbraw/zinc/06/57/91/543065791.db2.gz WRFPMLSSJZKESJ-OTWHNJEPSA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309754144 543065794 /nfs/dbraw/zinc/06/57/94/543065794.db2.gz WRFPMLSSJZKESJ-OTWHNJEPSA-N 3 1 301.478 2.758 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309822540 543066132 /nfs/dbraw/zinc/06/61/32/543066132.db2.gz ZZNRCESRVFVUHT-NMLBUPMWSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309822540 543066134 /nfs/dbraw/zinc/06/61/34/543066134.db2.gz ZZNRCESRVFVUHT-NMLBUPMWSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309822540 543066137 /nfs/dbraw/zinc/06/61/37/543066137.db2.gz ZZNRCESRVFVUHT-NMLBUPMWSA-N 2 1 313.489 2.629 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000309547254 543065010 /nfs/dbraw/zinc/06/50/10/543065010.db2.gz QWCWOIYWYWFVMG-QGZVFWFLSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@@H]([NH2+]CCCN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000309547254 543065013 /nfs/dbraw/zinc/06/50/13/543065013.db2.gz QWCWOIYWYWFVMG-QGZVFWFLSA-N 2 1 303.494 2.828 20 0 DFADMP OCc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000326923846 543095356 /nfs/dbraw/zinc/09/53/56/543095356.db2.gz UVAYRTRKUNEWQX-UHFFFAOYSA-N 2 1 324.468 2.976 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000328264102 543095627 /nfs/dbraw/zinc/09/56/27/543095627.db2.gz NUVIVHHSGYSDOX-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000328264102 543095629 /nfs/dbraw/zinc/09/56/29/543095629.db2.gz NUVIVHHSGYSDOX-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000328264102 543095631 /nfs/dbraw/zinc/09/56/31/543095631.db2.gz NUVIVHHSGYSDOX-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CCCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000328264102 543095635 /nfs/dbraw/zinc/09/56/35/543095635.db2.gz NUVIVHHSGYSDOX-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000338195237 543135170 /nfs/dbraw/zinc/13/51/70/543135170.db2.gz MFKCAAFZUMESKZ-AEFFLSMTSA-N 2 1 310.445 2.867 20 0 DFADMP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339067814 543139663 /nfs/dbraw/zinc/13/96/63/543139663.db2.gz JCWNPZDTDJIYRH-KKUMJFAQSA-N 2 1 321.415 2.760 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339070124 543140383 /nfs/dbraw/zinc/14/03/83/543140383.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339070124 543140388 /nfs/dbraw/zinc/14/03/88/543140388.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339070124 543140390 /nfs/dbraw/zinc/14/03/90/543140390.db2.gz WTTRSYMNFNJTRC-RDGPPVDQSA-N 3 1 307.526 2.961 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000339071569 543140454 /nfs/dbraw/zinc/14/04/54/543140454.db2.gz SYLOTTRMFZDQQB-GRDNDAEWSA-N 2 1 323.431 2.784 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000339071569 543140457 /nfs/dbraw/zinc/14/04/57/543140457.db2.gz SYLOTTRMFZDQQB-GRDNDAEWSA-N 2 1 323.431 2.784 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000339251948 543141976 /nfs/dbraw/zinc/14/19/76/543141976.db2.gz CQENFCLBQXNLIX-XWTMOSNGSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339251948 543141977 /nfs/dbraw/zinc/14/19/77/543141977.db2.gz CQENFCLBQXNLIX-XWTMOSNGSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339251948 543141979 /nfs/dbraw/zinc/14/19/79/543141979.db2.gz CQENFCLBQXNLIX-XWTMOSNGSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000339245207 543142070 /nfs/dbraw/zinc/14/20/70/543142070.db2.gz GYHWIOAJVPZBCO-MRXNPFEDSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@H](CCC(C)(C)C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000342704362 543163515 /nfs/dbraw/zinc/16/35/15/543163515.db2.gz XXVFXCAAJUDSGJ-OAHLLOKOSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H]3C3CC3)CC2)nc(C)[nH+]1 ZINC000348065260 543182947 /nfs/dbraw/zinc/18/29/47/543182947.db2.gz BPCYVFDITFLNPP-SJORKVTESA-N 2 1 300.450 2.840 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CC2)C1 ZINC000348385281 543184962 /nfs/dbraw/zinc/18/49/62/543184962.db2.gz WAOXBLBNPUPJMZ-CEXWTWQISA-N 2 1 300.446 2.531 20 0 DFADMP CN(Cc1cnn(CC(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348869312 543188626 /nfs/dbraw/zinc/18/86/26/543188626.db2.gz MPXXKSTUKYLSKG-PBWFPOADSA-N 2 1 316.371 2.502 20 0 DFADMP Cc1[nH+]ccn1CC[NH+]1CCC2(CC1)OCCc1ccsc12 ZINC000352759294 543232502 /nfs/dbraw/zinc/23/25/02/543232502.db2.gz SVPMXWHUERUUJL-UHFFFAOYSA-N 2 1 317.458 2.817 20 0 DFADMP COC1(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)CCCCC1 ZINC000361544067 292112231 /nfs/dbraw/zinc/11/22/31/292112231.db2.gz RQKUXVVVPOCWID-IXDOHACOSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379642521 543297157 /nfs/dbraw/zinc/29/71/57/543297157.db2.gz AEZYGEDYIVZTCO-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379642521 543297161 /nfs/dbraw/zinc/29/71/61/543297161.db2.gz AEZYGEDYIVZTCO-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379642521 543297165 /nfs/dbraw/zinc/29/71/65/543297165.db2.gz AEZYGEDYIVZTCO-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379642521 543297167 /nfs/dbraw/zinc/29/71/67/543297167.db2.gz AEZYGEDYIVZTCO-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381802326 543298220 /nfs/dbraw/zinc/29/82/20/543298220.db2.gz UOGITISPMPBAHK-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381802326 543298222 /nfs/dbraw/zinc/29/82/22/543298222.db2.gz UOGITISPMPBAHK-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381802326 543298224 /nfs/dbraw/zinc/29/82/24/543298224.db2.gz UOGITISPMPBAHK-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381802326 543298226 /nfs/dbraw/zinc/29/82/26/543298226.db2.gz UOGITISPMPBAHK-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP CCn1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000383737199 543298885 /nfs/dbraw/zinc/29/88/85/543298885.db2.gz XKYPJBSXJPJKFT-DFQSSKMNSA-N 2 1 324.472 2.903 20 0 DFADMP O[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000378881133 543296850 /nfs/dbraw/zinc/29/68/50/543296850.db2.gz GVBDJWROHNUQPF-RBUKOAKNSA-N 2 1 302.462 2.587 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000378897377 543296938 /nfs/dbraw/zinc/29/69/38/543296938.db2.gz DLOJXLDXTYGBSL-GUDVDZBRSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000165716599 145232194 /nfs/dbraw/zinc/23/21/94/145232194.db2.gz SSZCQEQRJZLUMA-MAUKXSAKSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)CC[N@H+]1C ZINC000165716599 145232195 /nfs/dbraw/zinc/23/21/95/145232195.db2.gz SSZCQEQRJZLUMA-MAUKXSAKSA-N 2 1 319.468 2.862 20 0 DFADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000172247725 145297035 /nfs/dbraw/zinc/29/70/35/145297035.db2.gz BIKUXFKUBMFNJH-MRXNPFEDSA-N 2 1 304.478 2.774 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000633373695 399894077 /nfs/dbraw/zinc/89/40/77/399894077.db2.gz XCKLOQOODSSPSK-INIZCTEOSA-N 2 1 319.449 2.570 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1OC ZINC000633373696 399894179 /nfs/dbraw/zinc/89/41/79/399894179.db2.gz XCKLOQOODSSPSK-MRXNPFEDSA-N 2 1 319.449 2.570 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631108653 399982147 /nfs/dbraw/zinc/98/21/47/399982147.db2.gz DSAWZBZKPJCKID-CRAIPNDOSA-N 2 1 311.429 2.787 20 0 DFADMP COCCc1ncc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)s1 ZINC000631109656 399982553 /nfs/dbraw/zinc/98/25/53/399982553.db2.gz ATUWQVFETRKMBR-AWEZNQCLSA-N 2 1 311.495 2.686 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000631054867 399970600 /nfs/dbraw/zinc/97/06/00/399970600.db2.gz YFMQATDVJVHVJT-UHFFFAOYSA-N 2 1 301.434 2.752 20 0 DFADMP COc1cc(Cl)c(C[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000631056693 399971178 /nfs/dbraw/zinc/97/11/78/399971178.db2.gz NNVUMMBPTNTTBB-UHFFFAOYSA-N 2 1 309.797 2.652 20 0 DFADMP Cc1cc(C)c(/C=C\C[NH2+]C2CC[NH+](CCO)CC2)cc1C ZINC000631064911 399973071 /nfs/dbraw/zinc/97/30/71/399973071.db2.gz PNHKQLOORWPLBW-PLNGDYQASA-N 2 1 302.462 2.671 20 0 DFADMP COc1cc(Cl)c(CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000631080472 399976522 /nfs/dbraw/zinc/97/65/22/399976522.db2.gz QRQUFINYLXIVMX-AAEUAGOBSA-N 2 1 312.841 2.930 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NC[C@H](c2ccco2)[NH+](CC)CC)CC[N@H+]1C ZINC000630838637 399936815 /nfs/dbraw/zinc/93/68/15/399936815.db2.gz BHBOYFYMKCPCKB-ARFHVFGLSA-N 2 1 321.465 2.509 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CC[N@H+]1C ZINC000630853204 399939346 /nfs/dbraw/zinc/93/93/46/399939346.db2.gz SBECENJVEVTEHT-MDMSPXHWSA-N 2 1 321.509 2.581 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH+]1C ZINC000630853204 399939348 /nfs/dbraw/zinc/93/93/48/399939348.db2.gz SBECENJVEVTEHT-MDMSPXHWSA-N 2 1 321.509 2.581 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH+]1C ZINC000630853204 399939349 /nfs/dbraw/zinc/93/93/49/399939349.db2.gz SBECENJVEVTEHT-MDMSPXHWSA-N 2 1 321.509 2.581 20 0 DFADMP CSc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423092711 543340603 /nfs/dbraw/zinc/34/06/03/543340603.db2.gz DCCAVPYXEVLVDG-KSZLIROESA-N 2 1 320.502 2.698 20 0 DFADMP Cn1nc2c(c1C[NH2+]CC(C)(C)C[NH+]1CCCC1)CCCC2 ZINC000631122063 399984631 /nfs/dbraw/zinc/98/46/31/399984631.db2.gz UMNBBSGACNQXPC-UHFFFAOYSA-N 2 1 304.482 2.511 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)on1 ZINC000631129448 399986180 /nfs/dbraw/zinc/98/61/80/399986180.db2.gz BUHPWUJHJIAAQL-UHFFFAOYSA-N 2 1 315.417 2.746 20 0 DFADMP Cc1ccc([C@@H](C)C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000628175309 399996803 /nfs/dbraw/zinc/99/68/03/399996803.db2.gz RYRBBQSEVGXFQL-KRWDZBQOSA-N 2 1 304.478 2.877 20 0 DFADMP Cc1ccc([C@H](C)C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000628175310 399997019 /nfs/dbraw/zinc/99/70/19/399997019.db2.gz RYRBBQSEVGXFQL-QGZVFWFLSA-N 2 1 304.478 2.877 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2[nH]ccc2c1 ZINC000628191095 399999196 /nfs/dbraw/zinc/99/91/96/399999196.db2.gz ZOUJULPZFICWJE-BHIYHBOVSA-N 2 1 313.445 2.851 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000631195280 400000964 /nfs/dbraw/zinc/00/09/64/400000964.db2.gz VGQKDFWGFARKEI-LPHOPBHVSA-N 2 1 324.472 2.687 20 0 DFADMP CCc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195227 400001031 /nfs/dbraw/zinc/00/10/31/400001031.db2.gz UUMSUWRFTJRLDH-LPHOPBHVSA-N 2 1 324.472 2.897 20 0 DFADMP CCc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195227 400001034 /nfs/dbraw/zinc/00/10/34/400001034.db2.gz UUMSUWRFTJRLDH-LPHOPBHVSA-N 2 1 324.472 2.897 20 0 DFADMP CCn1cncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195062 400001151 /nfs/dbraw/zinc/00/11/51/400001151.db2.gz SHYLOKWYVUKYDG-FUHWJXTLSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1cncc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195062 400001153 /nfs/dbraw/zinc/00/11/53/400001153.db2.gz SHYLOKWYVUKYDG-FUHWJXTLSA-N 2 1 312.461 2.761 20 0 DFADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196195 400001641 /nfs/dbraw/zinc/00/16/41/400001641.db2.gz OOBNATLSUINYJT-MAUKXSAKSA-N 2 1 312.461 2.586 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000631245024 400011656 /nfs/dbraw/zinc/01/16/56/400011656.db2.gz GWBOGFKSKMEXHE-QGZVFWFLSA-N 2 1 303.450 2.977 20 0 DFADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000628748970 400052319 /nfs/dbraw/zinc/05/23/19/400052319.db2.gz ZKMMGIYIEGNUOA-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000628748970 400052320 /nfs/dbraw/zinc/05/23/20/400052320.db2.gz ZKMMGIYIEGNUOA-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000628748970 400052321 /nfs/dbraw/zinc/05/23/21/400052321.db2.gz ZKMMGIYIEGNUOA-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000631578822 400054202 /nfs/dbraw/zinc/05/42/02/400054202.db2.gz ATUDOZYCWCSRIC-ZBFHGGJFSA-N 2 1 304.434 2.840 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000631607903 400057669 /nfs/dbraw/zinc/05/76/69/400057669.db2.gz WBMOYZYHYJGURB-HIFRSBDPSA-N 2 1 313.401 2.710 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@H]2CCC[C@@H]21 ZINC000631732587 400070957 /nfs/dbraw/zinc/07/09/57/400070957.db2.gz LLLKLUYDZGNJTF-QYZOEREBSA-N 2 1 300.446 2.722 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000631733328 400070970 /nfs/dbraw/zinc/07/09/70/400070970.db2.gz BOFLBNQNGHYYBB-IKICRFKJSA-N 2 1 306.425 2.976 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000631750039 400072196 /nfs/dbraw/zinc/07/21/96/400072196.db2.gz YBQKFDARVRYHOF-UHOSZYNNSA-N 2 1 301.478 2.642 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](C)[C@@H](C)C3)C2)cc1 ZINC000631750039 400072198 /nfs/dbraw/zinc/07/21/98/400072198.db2.gz YBQKFDARVRYHOF-UHOSZYNNSA-N 2 1 301.478 2.642 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](C)[C@@H](C)C3)C2)cc1 ZINC000631750039 400072200 /nfs/dbraw/zinc/07/22/00/400072200.db2.gz YBQKFDARVRYHOF-UHOSZYNNSA-N 2 1 301.478 2.642 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827483 400077950 /nfs/dbraw/zinc/07/79/50/400077950.db2.gz PDDSSEDFMQJGCH-JKSUJKDBSA-N 2 1 300.446 2.581 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2CCC(F)(F)C2)C1 ZINC000631829776 400078265 /nfs/dbraw/zinc/07/82/65/400078265.db2.gz ZJUQXFJFJVPOBY-TUVASFSCSA-N 2 1 302.409 2.783 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000631839377 400078991 /nfs/dbraw/zinc/07/89/91/400078991.db2.gz FRFFGFJNIYDJKX-YJBOKZPZSA-N 2 1 311.429 2.687 20 0 DFADMP CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237034785 146035060 /nfs/dbraw/zinc/03/50/60/146035060.db2.gz GMNACYPXEQXIOG-SOLBZPMBSA-N 2 1 317.477 2.526 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000237345644 146041539 /nfs/dbraw/zinc/04/15/39/146041539.db2.gz RRDXXSXIMVULIQ-DYVFJYSZSA-N 2 1 312.417 2.500 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000245590639 146085482 /nfs/dbraw/zinc/08/54/82/146085482.db2.gz GGERRKVELQDFOZ-SJLPKXTDSA-N 2 1 310.482 2.521 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000245619554 146088558 /nfs/dbraw/zinc/08/85/58/146088558.db2.gz WHWSVIDUYFBCSQ-OAGGEKHMSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000245619554 146088560 /nfs/dbraw/zinc/08/85/60/146088560.db2.gz WHWSVIDUYFBCSQ-OAGGEKHMSA-N 2 1 305.441 2.867 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245726547 146098315 /nfs/dbraw/zinc/09/83/15/146098315.db2.gz IXMQCTMKAMJYCT-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245726547 146098316 /nfs/dbraw/zinc/09/83/16/146098316.db2.gz IXMQCTMKAMJYCT-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245726547 146098317 /nfs/dbraw/zinc/09/83/17/146098317.db2.gz IXMQCTMKAMJYCT-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000246296552 146136993 /nfs/dbraw/zinc/13/69/93/146136993.db2.gz BMDLTFLXXMAPPQ-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000246296552 146136997 /nfs/dbraw/zinc/13/69/97/146136997.db2.gz BMDLTFLXXMAPPQ-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246541222 146143462 /nfs/dbraw/zinc/14/34/62/146143462.db2.gz VXSFIYQFNXBELC-YJBOKZPZSA-N 2 1 306.450 2.532 20 0 DFADMP COCCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000247013980 146158973 /nfs/dbraw/zinc/15/89/73/146158973.db2.gz LIORGNGBAMRLTK-SJORKVTESA-N 2 1 320.477 2.812 20 0 DFADMP COCCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000247013980 146158976 /nfs/dbraw/zinc/15/89/76/146158976.db2.gz LIORGNGBAMRLTK-SJORKVTESA-N 2 1 320.477 2.812 20 0 DFADMP C[C@H](C[S@@](C)=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248876861 146172114 /nfs/dbraw/zinc/17/21/14/146172114.db2.gz JPPYYWLFSBXTNR-VEYJHQLJSA-N 2 1 320.502 2.539 20 0 DFADMP C[C@H](C[S@@](C)=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248876861 146172119 /nfs/dbraw/zinc/17/21/19/146172119.db2.gz JPPYYWLFSBXTNR-VEYJHQLJSA-N 2 1 320.502 2.539 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(Br)o3)CC[C@H]21 ZINC000248879914 146174099 /nfs/dbraw/zinc/17/40/99/146174099.db2.gz PBVSMQNTPXGKCQ-WCQYABFASA-N 2 1 313.239 2.958 20 0 DFADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000249056516 146183994 /nfs/dbraw/zinc/18/39/94/146183994.db2.gz YRQGTHBVDLXYKV-HQSKLWIPSA-N 2 1 305.441 2.643 20 0 DFADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1cccc(F)c1 ZINC000249056516 146183995 /nfs/dbraw/zinc/18/39/95/146183995.db2.gz YRQGTHBVDLXYKV-HQSKLWIPSA-N 2 1 305.441 2.643 20 0 DFADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000249056516 146183996 /nfs/dbraw/zinc/18/39/96/146183996.db2.gz YRQGTHBVDLXYKV-HQSKLWIPSA-N 2 1 305.441 2.643 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249050805 146184696 /nfs/dbraw/zinc/18/46/96/146184696.db2.gz XJXYSKAVSGEFJY-RBUKOAKNSA-N 2 1 300.446 2.833 20 0 DFADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000249153825 146190214 /nfs/dbraw/zinc/19/02/14/146190214.db2.gz YFYOXKMJNLLNLJ-QRQLOZEOSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000249153825 146190217 /nfs/dbraw/zinc/19/02/17/146190217.db2.gz YFYOXKMJNLLNLJ-QRQLOZEOSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000249153825 146190220 /nfs/dbraw/zinc/19/02/20/146190220.db2.gz YFYOXKMJNLLNLJ-QRQLOZEOSA-N 2 1 306.494 2.876 20 0 DFADMP C(CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCCCC1 ZINC000249348525 146194335 /nfs/dbraw/zinc/19/43/35/146194335.db2.gz KBXLNPIXIHCMAY-PKOBYXMFSA-N 2 1 305.510 2.811 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C\c2ccc(F)cc2)CC1 ZINC000254916202 146230080 /nfs/dbraw/zinc/23/00/80/146230080.db2.gz MBVFIOHBHMTDOX-MJSXRHKHSA-N 2 1 320.452 2.864 20 0 DFADMP C[N@H+](C[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261543429 146237741 /nfs/dbraw/zinc/23/77/41/146237741.db2.gz HTIAIRJCSCHKGU-SFHVURJKSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@@H+](C[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261543429 146237744 /nfs/dbraw/zinc/23/77/44/146237744.db2.gz HTIAIRJCSCHKGU-SFHVURJKSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000261554904 146239799 /nfs/dbraw/zinc/23/97/99/146239799.db2.gz PHXHXQBYXACWPN-ZANVPECISA-N 2 1 301.203 2.676 20 0 DFADMP O=C(c1ccc(F)cc1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261638456 146250511 /nfs/dbraw/zinc/25/05/11/146250511.db2.gz AATUOGBUEJKRFW-CQSZACIVSA-N 2 1 304.409 2.720 20 0 DFADMP CCn1ccnc1C[N@@H+](C[C@@H]1C[C@@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261644290 146252283 /nfs/dbraw/zinc/25/22/83/146252283.db2.gz AMEADSGZZBMYPO-JYJNAYRXSA-N 2 1 302.466 2.503 20 0 DFADMP C[C@@H]([NH3+])CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000261776557 146274576 /nfs/dbraw/zinc/27/45/76/146274576.db2.gz JEIGYNJTGPLMKU-CZUORRHYSA-N 2 1 323.868 2.548 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817032 146281621 /nfs/dbraw/zinc/28/16/21/146281621.db2.gz IBDITNVLLNRCGJ-IPELMVKDSA-N 2 1 310.445 2.565 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000261816880 146281853 /nfs/dbraw/zinc/28/18/53/146281853.db2.gz GZBZZOFBMVFKEQ-IPELMVKDSA-N 2 1 318.461 2.913 20 0 DFADMP CC[NH+](CC)[C@H](c1nc(C[C@@H](C)[NH2+]C)no1)c1ccccc1 ZINC000261822412 146283108 /nfs/dbraw/zinc/28/31/08/146283108.db2.gz QONYTQNGBPSVSH-CJNGLKHVSA-N 2 1 302.422 2.651 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)s2)cn1 ZINC000261825363 146283518 /nfs/dbraw/zinc/28/35/18/146283518.db2.gz IRBOFPDDHKSCKN-VBNZEHGJSA-N 2 1 316.474 2.708 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)C1CCCCC1 ZINC000261850222 146289012 /nfs/dbraw/zinc/28/90/12/146289012.db2.gz ZSUNVGLHMOCKGN-JQHSSLGASA-N 2 1 321.509 2.678 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261908135 146298621 /nfs/dbraw/zinc/29/86/21/146298621.db2.gz XNOXYXPYHUVILD-FQEVSTJZSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261908135 146298623 /nfs/dbraw/zinc/29/86/23/146298623.db2.gz XNOXYXPYHUVILD-FQEVSTJZSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000261908135 146298627 /nfs/dbraw/zinc/29/86/27/146298627.db2.gz XNOXYXPYHUVILD-FQEVSTJZSA-N 2 1 315.505 2.830 20 0 DFADMP Nc1ncc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000261906353 146299354 /nfs/dbraw/zinc/29/93/54/146299354.db2.gz HAKBSHJEJPPAPO-GFCCVEGCSA-N 2 1 317.462 2.638 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCC(C)C ZINC000261916969 146301571 /nfs/dbraw/zinc/30/15/71/146301571.db2.gz YGAMMWBGQUTNPK-SFHVURJKSA-N 2 1 306.450 2.901 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)cc1OCC(C)C ZINC000261916969 146301576 /nfs/dbraw/zinc/30/15/76/146301576.db2.gz YGAMMWBGQUTNPK-SFHVURJKSA-N 2 1 306.450 2.901 20 0 DFADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000261928092 146304599 /nfs/dbraw/zinc/30/45/99/146304599.db2.gz LHPMGGOCGAQKKU-KZNAEPCWSA-N 2 1 318.436 2.604 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261942417 146307108 /nfs/dbraw/zinc/30/71/08/146307108.db2.gz UXUKOFFOAYIZNY-BHYGNILZSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261942417 146307113 /nfs/dbraw/zinc/30/71/13/146307113.db2.gz UXUKOFFOAYIZNY-BHYGNILZSA-N 2 1 315.461 2.808 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261949855 146308430 /nfs/dbraw/zinc/30/84/30/146308430.db2.gz FUMMLPZCWZDDEW-OAHLLOKOSA-N 2 1 314.351 2.813 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261949855 146308433 /nfs/dbraw/zinc/30/84/33/146308433.db2.gz FUMMLPZCWZDDEW-OAHLLOKOSA-N 2 1 314.351 2.813 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2c(F)cccc2Br)CC1 ZINC000261949811 146308773 /nfs/dbraw/zinc/30/87/73/146308773.db2.gz NVRMUUMRCBXQHT-UHFFFAOYSA-N 2 1 301.203 2.759 20 0 DFADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261970256 146310952 /nfs/dbraw/zinc/31/09/52/146310952.db2.gz QKWNAPBIWKAMOK-GUDVDZBRSA-N 2 1 302.462 2.593 20 0 DFADMP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261975751 146312918 /nfs/dbraw/zinc/31/29/18/146312918.db2.gz RCCINRIIXBPGHG-OIISXLGYSA-N 2 1 308.853 2.629 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000261972570 146313279 /nfs/dbraw/zinc/31/32/79/146313279.db2.gz IJCHAIRWFYJPNO-LJQANCHMSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000261972570 146313285 /nfs/dbraw/zinc/31/32/85/146313285.db2.gz IJCHAIRWFYJPNO-LJQANCHMSA-N 2 1 318.461 2.915 20 0 DFADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261977009 146313948 /nfs/dbraw/zinc/31/39/48/146313948.db2.gz RGVKRJFIVYPNQD-ZACQAIPSSA-N 2 1 320.502 2.964 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(SC)cc2)CC1 ZINC000261990903 146317523 /nfs/dbraw/zinc/31/75/23/146317523.db2.gz LXFYSMRCCPYIBM-UHFFFAOYSA-N 2 1 321.490 2.669 20 0 DFADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262027680 146323500 /nfs/dbraw/zinc/32/35/00/146323500.db2.gz XFLKKGXNYWWJMQ-ZACQAIPSSA-N 2 1 314.429 2.988 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000262021327 146323900 /nfs/dbraw/zinc/32/39/00/146323900.db2.gz YASCAKJKZNFQSP-CQSZACIVSA-N 2 1 321.440 2.783 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)s2)cn1 ZINC000262034314 146325030 /nfs/dbraw/zinc/32/50/30/146325030.db2.gz XMXSEZGQMLWJQN-YIONKMFJSA-N 2 1 316.474 2.863 20 0 DFADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@H+](CC(C)(C)[NH3+])C2)cc1 ZINC000262039444 146326427 /nfs/dbraw/zinc/32/64/27/146326427.db2.gz YEVPOURSWVTEIQ-HNNXBMFYSA-N 2 1 318.465 2.566 20 0 DFADMP Cc1ccc(NC(=O)NC[C@@H]2CCC[N@@H+](CC(C)(C)[NH3+])C2)cc1 ZINC000262039444 146326430 /nfs/dbraw/zinc/32/64/30/146326430.db2.gz YEVPOURSWVTEIQ-HNNXBMFYSA-N 2 1 318.465 2.566 20 0 DFADMP c1coc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)c1 ZINC000262101666 146332983 /nfs/dbraw/zinc/33/29/83/146332983.db2.gz VOSLPDKVTULLTP-UHFFFAOYSA-N 2 1 303.431 2.979 20 0 DFADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccnn2C)c1 ZINC000262106133 146334891 /nfs/dbraw/zinc/33/48/91/146334891.db2.gz VYMAFDJDFIWSMA-UHFFFAOYSA-N 2 1 324.472 2.971 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262120520 146335622 /nfs/dbraw/zinc/33/56/22/146335622.db2.gz MBDQVWCGKYLDHO-WDYCEAGBSA-N 2 1 318.461 2.804 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262141059 146338106 /nfs/dbraw/zinc/33/81/06/146338106.db2.gz ZBROTRHAKGKNEQ-UHFFFAOYSA-N 2 1 304.482 2.830 20 0 DFADMP CCc1ccc([C@H]2CNCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000262184883 146340754 /nfs/dbraw/zinc/34/07/54/146340754.db2.gz JBZDFQZFJYQKDY-LJQANCHMSA-N 2 1 301.478 2.585 20 0 DFADMP CCc1ccc([C@H]2CNCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000262184883 146340757 /nfs/dbraw/zinc/34/07/57/146340757.db2.gz JBZDFQZFJYQKDY-LJQANCHMSA-N 2 1 301.478 2.585 20 0 DFADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)c1)OCO2 ZINC000262307176 146350347 /nfs/dbraw/zinc/35/03/47/146350347.db2.gz PIYBFMWOYGAXGT-BZUAXINKSA-N 2 1 302.418 2.816 20 0 DFADMP CCC[N@@H+](CCOc1ccccc1OCC)C1CC[NH2+]CC1 ZINC000262334155 146352145 /nfs/dbraw/zinc/35/21/45/146352145.db2.gz SVIIDRXDXSJKLG-UHFFFAOYSA-N 2 1 306.450 2.928 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000262355330 146353512 /nfs/dbraw/zinc/35/35/12/146353512.db2.gz VRXJFBDHJJIOTQ-YPMHNXCESA-N 2 1 314.376 2.856 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262387073 146355965 /nfs/dbraw/zinc/35/59/65/146355965.db2.gz ZKGAERIGOUDILB-BJJXKVORSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262387073 146355968 /nfs/dbraw/zinc/35/59/68/146355968.db2.gz ZKGAERIGOUDILB-BJJXKVORSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CCN(C(=O)OC(C)(C)C)C[C@H]1C ZINC000494077474 543413813 /nfs/dbraw/zinc/41/38/13/543413813.db2.gz GBVLQVCWUCFVEA-CQSZACIVSA-N 2 1 322.453 2.523 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000354661315 147108518 /nfs/dbraw/zinc/10/85/18/147108518.db2.gz NTXMIMSYLQDTHO-KZNAEPCWSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2scnc2C2CC2)CC1 ZINC000494937363 543416801 /nfs/dbraw/zinc/41/68/01/543416801.db2.gz LRKOLQQOYKYEDV-CYBMUJFWSA-N 2 1 323.506 2.545 20 0 DFADMP Cc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)on1 ZINC000354864549 147182781 /nfs/dbraw/zinc/18/27/81/147182781.db2.gz VENCRQAYOJZPKR-UHFFFAOYSA-N 2 1 300.406 2.726 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000354873981 147186498 /nfs/dbraw/zinc/18/64/98/147186498.db2.gz FTNKUACHBNMNBX-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000354873981 147186500 /nfs/dbraw/zinc/18/65/00/147186500.db2.gz FTNKUACHBNMNBX-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000354873981 147186502 /nfs/dbraw/zinc/18/65/02/147186502.db2.gz FTNKUACHBNMNBX-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355213565 147225165 /nfs/dbraw/zinc/22/51/65/147225165.db2.gz FKGMNOPPAKKVNG-KPFFTGBYSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355213565 147225168 /nfs/dbraw/zinc/22/51/68/147225168.db2.gz FKGMNOPPAKKVNG-KPFFTGBYSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213565 147225171 /nfs/dbraw/zinc/22/51/71/147225171.db2.gz FKGMNOPPAKKVNG-KPFFTGBYSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355213565 147225173 /nfs/dbraw/zinc/22/51/73/147225173.db2.gz FKGMNOPPAKKVNG-KPFFTGBYSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213565 147225176 /nfs/dbraw/zinc/22/51/76/147225176.db2.gz FKGMNOPPAKKVNG-KPFFTGBYSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355213564 147225545 /nfs/dbraw/zinc/22/55/45/147225545.db2.gz FKGMNOPPAKKVNG-IMFGXOCKSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355213564 147225547 /nfs/dbraw/zinc/22/55/47/147225547.db2.gz FKGMNOPPAKKVNG-IMFGXOCKSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213564 147225549 /nfs/dbraw/zinc/22/55/49/147225549.db2.gz FKGMNOPPAKKVNG-IMFGXOCKSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355213564 147225551 /nfs/dbraw/zinc/22/55/51/147225551.db2.gz FKGMNOPPAKKVNG-IMFGXOCKSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213564 147225553 /nfs/dbraw/zinc/22/55/53/147225553.db2.gz FKGMNOPPAKKVNG-IMFGXOCKSA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355308849 147260034 /nfs/dbraw/zinc/26/00/34/147260034.db2.gz GBONLYKUXNRZBJ-IEBWSBKVSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355308849 147260036 /nfs/dbraw/zinc/26/00/36/147260036.db2.gz GBONLYKUXNRZBJ-IEBWSBKVSA-N 2 1 303.494 2.971 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000357788818 148122587 /nfs/dbraw/zinc/12/25/87/148122587.db2.gz DBNVKSQLODAJSZ-SUMWQHHRSA-N 2 1 317.408 2.953 20 0 DFADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000358000059 148205322 /nfs/dbraw/zinc/20/53/22/148205322.db2.gz BISRTLHJTKARRB-CRAIPNDOSA-N 2 1 317.477 2.646 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@@H](C)C1 ZINC000358016756 148213473 /nfs/dbraw/zinc/21/34/73/148213473.db2.gz HLDHBOYJRWONFG-WMZOPIPTSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C1=CC[N@@H+](C)CC1 ZINC000358072090 148233383 /nfs/dbraw/zinc/23/33/83/148233383.db2.gz BMJIKVVKNAUMMH-AWEZNQCLSA-N 2 1 316.449 2.520 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC[N@H+]1C ZINC000358104809 148246459 /nfs/dbraw/zinc/24/64/59/148246459.db2.gz YYIKXNQIFMTOQE-SZVBFZGTSA-N 2 1 318.461 2.817 20 0 DFADMP C[N@H+]1CC[C@@](O)(CNCc2ccc(F)c(-c3cccs3)c2)C1 ZINC000358146413 148260192 /nfs/dbraw/zinc/26/01/92/148260192.db2.gz XALXBMHYCJZCDR-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP CN1CC[C@@](O)(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000358146413 148260196 /nfs/dbraw/zinc/26/01/96/148260196.db2.gz XALXBMHYCJZCDR-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000358146413 148260200 /nfs/dbraw/zinc/26/02/00/148260200.db2.gz XALXBMHYCJZCDR-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000358146413 148260204 /nfs/dbraw/zinc/26/02/04/148260204.db2.gz XALXBMHYCJZCDR-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000358264193 148310340 /nfs/dbraw/zinc/31/03/40/148310340.db2.gz YOTFXZQPJDTREC-ROUUACIJSA-N 2 1 302.418 2.786 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000358264193 148310345 /nfs/dbraw/zinc/31/03/45/148310345.db2.gz YOTFXZQPJDTREC-ROUUACIJSA-N 2 1 302.418 2.786 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCOC3(CCCCC3)C2)CC1 ZINC000358315826 148326559 /nfs/dbraw/zinc/32/65/59/148326559.db2.gz HLAGYTFUIJFWMN-KRWDZBQOSA-N 2 1 310.482 2.569 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000358502022 148380573 /nfs/dbraw/zinc/38/05/73/148380573.db2.gz UQXSWOPLCRIMTQ-AWEZNQCLSA-N 2 1 319.424 2.537 20 0 DFADMP Cn1nccc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350562262 286060108 /nfs/dbraw/zinc/06/01/08/286060108.db2.gz ZOKMYZHXVKEDJD-PKOBYXMFSA-N 2 1 312.461 2.592 20 0 DFADMP COC[C@@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OC ZINC000660007079 543524203 /nfs/dbraw/zinc/52/42/03/543524203.db2.gz YOEVXAHEBHEWEL-SJLPKXTDSA-N 2 1 312.498 2.624 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000361173478 149046478 /nfs/dbraw/zinc/04/64/78/149046478.db2.gz IACURVPHXYZXBY-ZIAGYGMSSA-N 2 1 323.506 2.549 20 0 DFADMP Cc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000361176946 149047218 /nfs/dbraw/zinc/04/72/18/149047218.db2.gz YPBQXSLXENUYJA-DLBZAZTESA-N 2 1 317.477 2.541 20 0 DFADMP Cc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361341912 149089952 /nfs/dbraw/zinc/08/99/52/149089952.db2.gz SEHOTYLZYIJFKT-INIZCTEOSA-N 2 1 317.477 2.588 20 0 DFADMP CCC[C@@H](C)[C@H](CC)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361341583 149090075 /nfs/dbraw/zinc/09/00/75/149090075.db2.gz PLQNBCUYBZHVJZ-WBVHZDCISA-N 2 1 311.514 2.734 20 0 DFADMP Cc1cccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000361346306 149091718 /nfs/dbraw/zinc/09/17/18/149091718.db2.gz NTCIRSWBSHFDDF-INIZCTEOSA-N 2 1 317.477 2.588 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCCC1 ZINC000361346310 149091865 /nfs/dbraw/zinc/09/18/65/149091865.db2.gz NWPRPYWUDKCBKK-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000361352051 149094995 /nfs/dbraw/zinc/09/49/95/149094995.db2.gz NZNUDSIEHYZFPC-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000361392905 149102983 /nfs/dbraw/zinc/10/29/83/149102983.db2.gz VBSZRTMKXQRWAQ-FUHWJXTLSA-N 2 1 309.413 2.768 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)C2)c1 ZINC000361507338 149133890 /nfs/dbraw/zinc/13/38/90/149133890.db2.gz DOHBTVCYGXGPRG-GJYPPUQNSA-N 2 1 317.477 2.594 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)C2)c1 ZINC000361507338 149133892 /nfs/dbraw/zinc/13/38/92/149133892.db2.gz DOHBTVCYGXGPRG-GJYPPUQNSA-N 2 1 317.477 2.594 20 0 DFADMP C[N@H+]1CCC[C@H](N2CCN(CCc3ccccc3Cl)CC2)C1 ZINC000361525673 149139642 /nfs/dbraw/zinc/13/96/42/149139642.db2.gz RYGOUTHZMZSMAT-KRWDZBQOSA-N 2 1 321.896 2.594 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000361667084 149186197 /nfs/dbraw/zinc/18/61/97/149186197.db2.gz MMSOBGMOLQOSPA-JYJNAYRXSA-N 2 1 320.481 2.774 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361667084 149186202 /nfs/dbraw/zinc/18/62/02/149186202.db2.gz MMSOBGMOLQOSPA-JYJNAYRXSA-N 2 1 320.481 2.774 20 0 DFADMP CCCCCNC(=O)CN1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000361668191 149186362 /nfs/dbraw/zinc/18/63/62/149186362.db2.gz WCLWRDCCZRDFLH-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1NC(C)=O ZINC000361748587 149208260 /nfs/dbraw/zinc/20/82/60/149208260.db2.gz BMUAUZQHMRHHSP-WWGRRREGSA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@H](C)C2)cc1NC(C)=O ZINC000361748587 149208262 /nfs/dbraw/zinc/20/82/62/149208262.db2.gz BMUAUZQHMRHHSP-WWGRRREGSA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1NC(C)=O ZINC000361748587 149208264 /nfs/dbraw/zinc/20/82/64/149208264.db2.gz BMUAUZQHMRHHSP-WWGRRREGSA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1NC(C)=O ZINC000361748587 149208266 /nfs/dbraw/zinc/20/82/66/149208266.db2.gz BMUAUZQHMRHHSP-WWGRRREGSA-N 2 1 319.449 2.787 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765719 149213442 /nfs/dbraw/zinc/21/34/42/149213442.db2.gz PYLNDERVCZWBNA-RYRKJORJSA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765719 149213444 /nfs/dbraw/zinc/21/34/44/149213444.db2.gz PYLNDERVCZWBNA-RYRKJORJSA-N 3 1 319.493 2.760 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC000361936085 149260176 /nfs/dbraw/zinc/26/01/76/149260176.db2.gz DVYCQZBUYDOXCH-HUUCEWRRSA-N 2 1 320.481 2.774 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC000361936085 149260179 /nfs/dbraw/zinc/26/01/79/149260179.db2.gz DVYCQZBUYDOXCH-HUUCEWRRSA-N 2 1 320.481 2.774 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)C(C)C ZINC000361942156 149262258 /nfs/dbraw/zinc/26/22/58/149262258.db2.gz VHOWPOMXVXTLPP-HZPDHXFCSA-N 2 1 320.481 2.726 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)C(C)C ZINC000361942156 149262262 /nfs/dbraw/zinc/26/22/62/149262262.db2.gz VHOWPOMXVXTLPP-HZPDHXFCSA-N 2 1 320.481 2.726 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000362651927 149334629 /nfs/dbraw/zinc/33/46/29/149334629.db2.gz QDZKSFGKLIXVSJ-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000362651927 149334630 /nfs/dbraw/zinc/33/46/30/149334630.db2.gz QDZKSFGKLIXVSJ-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP Cc1cc[nH+]c(N(C)C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000362667082 149338549 /nfs/dbraw/zinc/33/85/49/149338549.db2.gz QYVWOEYRGKQQKS-QAPCUYQASA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cc[nH+]c(N(C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000362667082 149338552 /nfs/dbraw/zinc/33/85/52/149338552.db2.gz QYVWOEYRGKQQKS-QAPCUYQASA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350953232 286101864 /nfs/dbraw/zinc/10/18/64/286101864.db2.gz VODAILAMQZNPHC-UHFFFAOYSA-N 2 1 323.868 2.861 20 0 DFADMP O[C@@]1(C[NH2+]C2CCC3(CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000362913710 149395217 /nfs/dbraw/zinc/39/52/17/149395217.db2.gz OOSMWWRDCHQGOS-HXUWFJFHSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@@]1(C[NH2+]C2CCC3(CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000362913710 149395219 /nfs/dbraw/zinc/39/52/19/149395219.db2.gz OOSMWWRDCHQGOS-HXUWFJFHSA-N 2 1 314.473 2.936 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@H]12 ZINC000351472250 286128588 /nfs/dbraw/zinc/12/85/88/286128588.db2.gz AHTUXBPBOLYIDR-VHDGCEQUSA-N 2 1 314.351 2.797 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000351479511 286130744 /nfs/dbraw/zinc/13/07/44/286130744.db2.gz RIZIOUGDKFODCM-UHOSZYNNSA-N 2 1 310.445 2.658 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+](C1CC1)[C@H]1CCCc2ccccc21)C1CC1 ZINC000351521458 286142203 /nfs/dbraw/zinc/14/22/03/286142203.db2.gz JHIGNCGOGPAFJP-ICSRJNTNSA-N 2 1 314.473 2.984 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+](C1CC1)[C@H]1CCCc2ccccc21)C1CC1 ZINC000351521458 286142207 /nfs/dbraw/zinc/14/22/07/286142207.db2.gz JHIGNCGOGPAFJP-ICSRJNTNSA-N 2 1 314.473 2.984 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](C1CC1)[C@H]1CCCc2ccccc21)C1CC1 ZINC000351521458 286142209 /nfs/dbraw/zinc/14/22/09/286142209.db2.gz JHIGNCGOGPAFJP-ICSRJNTNSA-N 2 1 314.473 2.984 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)C1CC1 ZINC000351521458 286142211 /nfs/dbraw/zinc/14/22/11/286142211.db2.gz JHIGNCGOGPAFJP-ICSRJNTNSA-N 2 1 314.473 2.984 20 0 DFADMP Cc1nc(C[C@@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)no1 ZINC000351545333 286149240 /nfs/dbraw/zinc/14/92/40/286149240.db2.gz OWTPDHKGCIYNLX-JKSUJKDBSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)no1 ZINC000351545333 286149244 /nfs/dbraw/zinc/14/92/44/286149244.db2.gz OWTPDHKGCIYNLX-JKSUJKDBSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)no1 ZINC000351545333 286149248 /nfs/dbraw/zinc/14/92/48/286149248.db2.gz OWTPDHKGCIYNLX-JKSUJKDBSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)no1 ZINC000351545329 286149305 /nfs/dbraw/zinc/14/93/05/286149305.db2.gz OWTPDHKGCIYNLX-HOTGVXAUSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)no1 ZINC000351545329 286149308 /nfs/dbraw/zinc/14/93/08/286149308.db2.gz OWTPDHKGCIYNLX-HOTGVXAUSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)no1 ZINC000351545329 286149312 /nfs/dbraw/zinc/14/93/12/286149312.db2.gz OWTPDHKGCIYNLX-HOTGVXAUSA-N 2 1 306.454 2.507 20 0 DFADMP CCC[C@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371092657 149988169 /nfs/dbraw/zinc/98/81/69/149988169.db2.gz GGWDTEWIDKZLBO-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371196061 150001098 /nfs/dbraw/zinc/00/10/98/150001098.db2.gz BPOKYCBBLWLROF-VQTJNVASSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccccc1 ZINC000371292453 150016814 /nfs/dbraw/zinc/01/68/14/150016814.db2.gz CAWJPZGEXNDNQI-KBAYOESNSA-N 2 1 320.502 2.962 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371335493 150025546 /nfs/dbraw/zinc/02/55/46/150025546.db2.gz KNKYQTOCAQOBDL-IBGZPJMESA-N 2 1 319.468 2.734 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000371335193 150026027 /nfs/dbraw/zinc/02/60/27/150026027.db2.gz JDERKZPMCTZPQX-GOSISDBHSA-N 2 1 323.431 2.565 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000371335193 150026031 /nfs/dbraw/zinc/02/60/31/150026031.db2.gz JDERKZPMCTZPQX-GOSISDBHSA-N 2 1 323.431 2.565 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425898 150045281 /nfs/dbraw/zinc/04/52/81/150045281.db2.gz VHWDRUTVIQPGJK-HNAYVOBHSA-N 2 1 319.468 2.987 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000371433550 150046558 /nfs/dbraw/zinc/04/65/58/150046558.db2.gz XIBVSJJPJMRHGC-KXBFYZLASA-N 2 1 312.461 2.907 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H](O)C(F)(F)F ZINC000371440501 150048397 /nfs/dbraw/zinc/04/83/97/150048397.db2.gz ROSXIQPVKSZWPT-KGLIPLIRSA-N 2 1 308.388 2.685 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371479150 150053265 /nfs/dbraw/zinc/05/32/65/150053265.db2.gz DLKYDGVZAYDPMO-UKRRQHHQSA-N 2 1 313.401 2.538 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000371498992 150056244 /nfs/dbraw/zinc/05/62/44/150056244.db2.gz AMOZRWIGCWEZQI-UHFFFAOYSA-N 2 1 317.452 2.642 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1(c2ccccc2)CCCC1 ZINC000351583680 286159973 /nfs/dbraw/zinc/15/99/73/286159973.db2.gz VESVIGCPJNGKHW-LPHOPBHVSA-N 2 1 316.489 2.932 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1(c2ccccc2)CCCC1 ZINC000351583680 286159974 /nfs/dbraw/zinc/15/99/74/286159974.db2.gz VESVIGCPJNGKHW-LPHOPBHVSA-N 2 1 316.489 2.932 20 0 DFADMP CC1(C)CC([NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC(C)(C)[NH2+]1 ZINC000371967777 150118499 /nfs/dbraw/zinc/11/84/99/150118499.db2.gz UWQOLFHWCDUVNO-UHFFFAOYSA-N 2 1 313.449 2.871 20 0 DFADMP CCOC(C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)OCC ZINC000372044866 150129655 /nfs/dbraw/zinc/12/96/55/150129655.db2.gz YBYHOXVJTRBTRO-HNNXBMFYSA-N 2 1 307.438 2.523 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000372064234 150131993 /nfs/dbraw/zinc/13/19/93/150131993.db2.gz ADAONBXWJAIORQ-AQNXPRMDSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000372064234 150132000 /nfs/dbraw/zinc/13/20/00/150132000.db2.gz ADAONBXWJAIORQ-AQNXPRMDSA-N 2 1 314.473 2.769 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000351599261 286165078 /nfs/dbraw/zinc/16/50/78/286165078.db2.gz WISHUMDULWFQOW-DLBZAZTESA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000351599261 286165079 /nfs/dbraw/zinc/16/50/79/286165079.db2.gz WISHUMDULWFQOW-DLBZAZTESA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000351599261 286165080 /nfs/dbraw/zinc/16/50/80/286165080.db2.gz WISHUMDULWFQOW-DLBZAZTESA-N 2 1 323.525 2.735 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000351604926 286166851 /nfs/dbraw/zinc/16/68/51/286166851.db2.gz GEXPZBNGFKYHLY-VQIMIIECSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000351604926 286166854 /nfs/dbraw/zinc/16/68/54/286166854.db2.gz GEXPZBNGFKYHLY-VQIMIIECSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000351604926 286166856 /nfs/dbraw/zinc/16/68/56/286166856.db2.gz GEXPZBNGFKYHLY-VQIMIIECSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000351604926 286166857 /nfs/dbraw/zinc/16/68/57/286166857.db2.gz GEXPZBNGFKYHLY-VQIMIIECSA-N 2 1 302.462 2.548 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000372842076 150192142 /nfs/dbraw/zinc/19/21/42/150192142.db2.gz NTWNNQSTRGOOHD-OAHLLOKOSA-N 2 1 322.493 2.915 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000351609959 286168464 /nfs/dbraw/zinc/16/84/64/286168464.db2.gz WUMKKRSSVPNHEK-QGZVFWFLSA-N 2 1 318.461 2.640 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000351609959 286168466 /nfs/dbraw/zinc/16/84/66/286168466.db2.gz WUMKKRSSVPNHEK-QGZVFWFLSA-N 2 1 318.461 2.640 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000351609959 286168468 /nfs/dbraw/zinc/16/84/68/286168468.db2.gz WUMKKRSSVPNHEK-QGZVFWFLSA-N 2 1 318.461 2.640 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000374050674 150299513 /nfs/dbraw/zinc/29/95/13/150299513.db2.gz OKRDDSLCSMASSC-AEFFLSMTSA-N 2 1 317.408 2.837 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000374050674 150299514 /nfs/dbraw/zinc/29/95/14/150299514.db2.gz OKRDDSLCSMASSC-AEFFLSMTSA-N 2 1 317.408 2.837 20 0 DFADMP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000374259381 150331700 /nfs/dbraw/zinc/33/17/00/150331700.db2.gz OZOXXKGMQSGPGT-KRWDZBQOSA-N 2 1 301.478 2.595 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000374461347 150371068 /nfs/dbraw/zinc/37/10/68/150371068.db2.gz MJOXLGTXMKQQDP-BZUAXINKSA-N 2 1 318.465 2.688 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)C12CCOCC2 ZINC000186321588 286283609 /nfs/dbraw/zinc/28/36/09/286283609.db2.gz TXBQMSOKKWMWIX-RCCFBDPRSA-N 2 1 324.509 2.671 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115205 286295979 /nfs/dbraw/zinc/29/59/79/286295979.db2.gz IUSSCSNDADTMKC-WOJBJXKFSA-N 2 1 316.489 2.885 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115205 286295981 /nfs/dbraw/zinc/29/59/81/286295981.db2.gz IUSSCSNDADTMKC-WOJBJXKFSA-N 2 1 316.489 2.885 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115205 286295982 /nfs/dbraw/zinc/29/59/82/286295982.db2.gz IUSSCSNDADTMKC-WOJBJXKFSA-N 2 1 316.489 2.885 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115205 286295984 /nfs/dbraw/zinc/29/59/84/286295984.db2.gz IUSSCSNDADTMKC-WOJBJXKFSA-N 2 1 316.489 2.885 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000352156352 286307296 /nfs/dbraw/zinc/30/72/96/286307296.db2.gz JIZGCWPWYQQXQQ-CVEARBPZSA-N 2 1 311.514 2.780 20 0 DFADMP C[NH+](C)Cc1cnc(CNCCC[N@H+](C)C2CCCCC2)s1 ZINC000352257805 286330306 /nfs/dbraw/zinc/33/03/06/286330306.db2.gz XXSHWGJDLLBRCT-UHFFFAOYSA-N 2 1 324.538 2.949 20 0 DFADMP C[NH+](C)Cc1cnc(CNCCC[N@@H+](C)C2CCCCC2)s1 ZINC000352257805 286330308 /nfs/dbraw/zinc/33/03/08/286330308.db2.gz XXSHWGJDLLBRCT-UHFFFAOYSA-N 2 1 324.538 2.949 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCc3ccccc3C2)s1 ZINC000352257210 286330347 /nfs/dbraw/zinc/33/03/47/286330347.db2.gz RRATZXJSDQVPES-HNNXBMFYSA-N 2 1 301.459 2.852 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352273770 286333788 /nfs/dbraw/zinc/33/37/88/286333788.db2.gz QEPLKIZLASEWCD-MRXNPFEDSA-N 2 1 312.461 2.909 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000352495172 286388155 /nfs/dbraw/zinc/38/81/55/286388155.db2.gz JERZOFYDIZGIHN-IEBWSBKVSA-N 2 1 318.461 2.948 20 0 DFADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccccc1F)CC1CCCC1 ZINC000352487604 286385964 /nfs/dbraw/zinc/38/59/64/286385964.db2.gz GVDNJVWOPYJRSL-UHFFFAOYSA-N 2 1 307.413 2.605 20 0 DFADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccccc1F)CC1CCCC1 ZINC000352487604 286385965 /nfs/dbraw/zinc/38/59/65/286385965.db2.gz GVDNJVWOPYJRSL-UHFFFAOYSA-N 2 1 307.413 2.605 20 0 DFADMP CCC[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000352487754 286386148 /nfs/dbraw/zinc/38/61/48/286386148.db2.gz IRUDWJVVZAYIND-ZWKOTPCHSA-N 2 1 317.477 2.847 20 0 DFADMP CCC[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000352487754 286386151 /nfs/dbraw/zinc/38/61/51/286386151.db2.gz IRUDWJVVZAYIND-ZWKOTPCHSA-N 2 1 317.477 2.847 20 0 DFADMP C[C@H](NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000352519783 286396566 /nfs/dbraw/zinc/39/65/66/286396566.db2.gz RNAQEVADGQBRBH-INIZCTEOSA-N 2 1 317.477 2.705 20 0 DFADMP CC1CCC(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)CC1 ZINC000352507925 286392414 /nfs/dbraw/zinc/39/24/14/286392414.db2.gz FBZKPIDWSQCCMX-UHFFFAOYSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352507847 286392438 /nfs/dbraw/zinc/39/24/38/286392438.db2.gz DJAUZMFGMYHTAK-XJKSGUPXSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352507847 286392441 /nfs/dbraw/zinc/39/24/41/286392441.db2.gz DJAUZMFGMYHTAK-XJKSGUPXSA-N 2 1 323.868 2.721 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC1([NH3+])CCCCC1)c1cccc(Cl)c1 ZINC000428496438 296702871 /nfs/dbraw/zinc/70/28/71/296702871.db2.gz PNLZQUDHPPHQGD-OAHLLOKOSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@H]1CCC[C@](CNCc2ncc(C[NH+](C)C)s2)([NH+](C)C)C1 ZINC000352768418 286461880 /nfs/dbraw/zinc/46/18/80/286461880.db2.gz FMEJRYYSAFFGQB-YOEHRIQHSA-N 2 1 324.538 2.805 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]([NH3+])CC(C)C)cc1 ZINC000353182720 286573041 /nfs/dbraw/zinc/57/30/41/286573041.db2.gz KCASECCMZJSIRX-SUMWQHHRSA-N 2 1 314.433 2.731 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1-n1ccnn1 ZINC000353437118 286644439 /nfs/dbraw/zinc/64/44/39/286644439.db2.gz DBFXZZMVXIOQGM-AWEZNQCLSA-N 2 1 311.433 2.545 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182821133 158008706 /nfs/dbraw/zinc/00/87/06/158008706.db2.gz XGZBCLCFBUMGGL-LZLYRXPVSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182821133 158008708 /nfs/dbraw/zinc/00/87/08/158008708.db2.gz XGZBCLCFBUMGGL-LZLYRXPVSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182821133 158008709 /nfs/dbraw/zinc/00/87/09/158008709.db2.gz XGZBCLCFBUMGGL-LZLYRXPVSA-N 2 1 321.509 2.630 20 0 DFADMP CCOC(C[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OCC ZINC000184976777 158042715 /nfs/dbraw/zinc/04/27/15/158042715.db2.gz RPJLCPZHOUMNJP-SFHVURJKSA-N 2 1 320.477 2.839 20 0 DFADMP CCOC(C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)OCC ZINC000184976777 158042718 /nfs/dbraw/zinc/04/27/18/158042718.db2.gz RPJLCPZHOUMNJP-SFHVURJKSA-N 2 1 320.477 2.839 20 0 DFADMP CCOC(C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000184976777 158042720 /nfs/dbraw/zinc/04/27/20/158042720.db2.gz RPJLCPZHOUMNJP-SFHVURJKSA-N 2 1 320.477 2.839 20 0 DFADMP CCOC(C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OCC ZINC000184976777 158042721 /nfs/dbraw/zinc/04/27/21/158042721.db2.gz RPJLCPZHOUMNJP-SFHVURJKSA-N 2 1 320.477 2.839 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000245942420 158081500 /nfs/dbraw/zinc/08/15/00/158081500.db2.gz AXRZTCGPAHOBGJ-ZNMIVQPWSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000245942420 158081502 /nfs/dbraw/zinc/08/15/02/158081502.db2.gz AXRZTCGPAHOBGJ-ZNMIVQPWSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000245942420 158081504 /nfs/dbraw/zinc/08/15/04/158081504.db2.gz AXRZTCGPAHOBGJ-ZNMIVQPWSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000245942420 158081507 /nfs/dbraw/zinc/08/15/07/158081507.db2.gz AXRZTCGPAHOBGJ-ZNMIVQPWSA-N 2 1 320.433 2.852 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000246433312 158090972 /nfs/dbraw/zinc/09/09/72/158090972.db2.gz CSPOKGNKBPTMOP-MDASCCDHSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000246433312 158090974 /nfs/dbraw/zinc/09/09/74/158090974.db2.gz CSPOKGNKBPTMOP-MDASCCDHSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1F ZINC000246433312 158090976 /nfs/dbraw/zinc/09/09/76/158090976.db2.gz CSPOKGNKBPTMOP-MDASCCDHSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1F ZINC000246433312 158090977 /nfs/dbraw/zinc/09/09/77/158090977.db2.gz CSPOKGNKBPTMOP-MDASCCDHSA-N 2 1 318.436 2.808 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000246427468 158091448 /nfs/dbraw/zinc/09/14/48/158091448.db2.gz MUNJWBAFYNROGS-SJORKVTESA-N 2 1 319.493 2.640 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246491534 158094231 /nfs/dbraw/zinc/09/42/31/158094231.db2.gz RZPKWAIMSBLXCG-FUHWJXTLSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246491534 158094233 /nfs/dbraw/zinc/09/42/33/158094233.db2.gz RZPKWAIMSBLXCG-FUHWJXTLSA-N 2 1 305.466 2.617 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)[C@H](C)C1 ZINC000246945527 158106439 /nfs/dbraw/zinc/10/64/39/158106439.db2.gz HDJSGZZQANSSOY-YCPHGPKFSA-N 2 1 322.884 2.634 20 0 DFADMP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246969432 158110403 /nfs/dbraw/zinc/11/04/03/158110403.db2.gz GQCVCSUSTNDUSR-RTBURBONSA-N 2 1 302.462 2.540 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000247224141 158123625 /nfs/dbraw/zinc/12/36/25/158123625.db2.gz CYRJOLLXVBUXHK-IEBWSBKVSA-N 2 1 301.478 2.768 20 0 DFADMP CCCCc1noc([C@H](C)N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)n1 ZINC000247944568 158153562 /nfs/dbraw/zinc/15/35/62/158153562.db2.gz DKOPZVMUKWPUNI-ZNMIVQPWSA-N 2 1 306.454 2.889 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000247987771 158155197 /nfs/dbraw/zinc/15/51/97/158155197.db2.gz IZTBVOJDZCALAA-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000247987771 158155199 /nfs/dbraw/zinc/15/51/99/158155199.db2.gz IZTBVOJDZCALAA-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000247987771 158155200 /nfs/dbraw/zinc/15/52/00/158155200.db2.gz IZTBVOJDZCALAA-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000247987771 158155202 /nfs/dbraw/zinc/15/52/02/158155202.db2.gz IZTBVOJDZCALAA-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000247987771 158155204 /nfs/dbraw/zinc/15/52/04/158155204.db2.gz IZTBVOJDZCALAA-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(Cl)c3)CC[C@H]21 ZINC000248049295 158159085 /nfs/dbraw/zinc/15/90/85/158159085.db2.gz VXGSPSDEMASYNZ-DJIMGWMZSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(Cl)c3)CC[C@H]21 ZINC000248049295 158159087 /nfs/dbraw/zinc/15/90/87/158159087.db2.gz VXGSPSDEMASYNZ-DJIMGWMZSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(Cl)c3)CC[C@H]21 ZINC000248049295 158159089 /nfs/dbraw/zinc/15/90/89/158159089.db2.gz VXGSPSDEMASYNZ-DJIMGWMZSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(Cl)c3)CC[C@H]21 ZINC000248049295 158159091 /nfs/dbraw/zinc/15/90/91/158159091.db2.gz VXGSPSDEMASYNZ-DJIMGWMZSA-N 2 1 308.853 2.790 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248122495 158162116 /nfs/dbraw/zinc/16/21/16/158162116.db2.gz NNVNLOFZJCVVNO-QFBILLFUSA-N 2 1 318.461 2.880 20 0 DFADMP COC(=O)c1ccc(F)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000248406578 158173998 /nfs/dbraw/zinc/17/39/98/158173998.db2.gz SOCMOOVJXHHOAI-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP COC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248419414 158175179 /nfs/dbraw/zinc/17/51/79/158175179.db2.gz VBDSXHNZKJDUCY-RCCFBDPRSA-N 2 1 302.462 2.912 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000248418023 158175338 /nfs/dbraw/zinc/17/53/38/158175338.db2.gz SAEUNOXVGQXAMS-NMLBUPMWSA-N 2 1 314.473 2.912 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000268782195 158209207 /nfs/dbraw/zinc/20/92/07/158209207.db2.gz DHLXUYQNVPHNJW-VQIMIIECSA-N 2 1 312.461 2.834 20 0 DFADMP C[N@@H+](CCc1cccnc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354888148 158240843 /nfs/dbraw/zinc/24/08/43/158240843.db2.gz CSAFUBPWUFOIMW-UHFFFAOYSA-N 2 1 310.445 2.868 20 0 DFADMP CC[N@@H+](CCC1CC1)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355034702 158257490 /nfs/dbraw/zinc/25/74/90/158257490.db2.gz FRLYFAOXGUYGIS-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2cc[nH]c21 ZINC000355209126 158299171 /nfs/dbraw/zinc/29/91/71/158299171.db2.gz QYXDZCZIMVFRNJ-FGTMMUONSA-N 2 1 313.445 2.851 20 0 DFADMP COCC[NH+]1CCC([NH2+]CC2(Cc3ccc(F)cc3)CC2)CC1 ZINC000356670098 158310722 /nfs/dbraw/zinc/31/07/22/158310722.db2.gz FECGWRSONCJTKM-UHFFFAOYSA-N 2 1 320.452 2.849 20 0 DFADMP COc1ccc(C[N@@H+](CCOCC[NH3+])Cc2ccccc2)cc1 ZINC000357086063 158362488 /nfs/dbraw/zinc/36/24/88/158362488.db2.gz RJRQHOYKNYXIDT-UHFFFAOYSA-N 2 1 314.429 2.673 20 0 DFADMP CCCCc1noc([C@@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357086037 158362968 /nfs/dbraw/zinc/36/29/68/158362968.db2.gz RFTVUQPWKJAGRC-HIFRSBDPSA-N 2 1 306.454 2.795 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](c2cccnc2)C1 ZINC000376738193 158895894 /nfs/dbraw/zinc/89/58/94/158895894.db2.gz SEYAKTYCUXYNTJ-FUHWJXTLSA-N 2 1 305.466 2.666 20 0 DFADMP [NH3+]C1CC[NH+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1 ZINC000430648458 296802686 /nfs/dbraw/zinc/80/26/86/296802686.db2.gz ZCJFCGSCWPJODK-UHFFFAOYSA-N 2 1 309.413 2.862 20 0 DFADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430947873 296814359 /nfs/dbraw/zinc/81/43/59/296814359.db2.gz CPZAKYROYVRRKN-STQMWFEESA-N 2 1 321.490 2.795 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000431033369 296818653 /nfs/dbraw/zinc/81/86/53/296818653.db2.gz OOQVWIIVMYZXJO-UHFFFAOYSA-N 2 1 321.852 2.662 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000354928889 287012710 /nfs/dbraw/zinc/01/27/10/287012710.db2.gz GLBXEKYLVWGJED-YYIAUSFCSA-N 2 1 309.498 2.628 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000354928889 287012711 /nfs/dbraw/zinc/01/27/11/287012711.db2.gz GLBXEKYLVWGJED-YYIAUSFCSA-N 2 1 309.498 2.628 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000354928889 287012713 /nfs/dbraw/zinc/01/27/13/287012713.db2.gz GLBXEKYLVWGJED-YYIAUSFCSA-N 2 1 309.498 2.628 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)OCCO2 ZINC000128892697 196001994 /nfs/dbraw/zinc/00/19/94/196001994.db2.gz JGJNVKUQECLJIX-INIZCTEOSA-N 2 1 304.434 2.764 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)OCCO2 ZINC000128892697 196001996 /nfs/dbraw/zinc/00/19/96/196001996.db2.gz JGJNVKUQECLJIX-INIZCTEOSA-N 2 1 304.434 2.764 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)OCCO2 ZINC000128892697 196001998 /nfs/dbraw/zinc/00/19/98/196001998.db2.gz JGJNVKUQECLJIX-INIZCTEOSA-N 2 1 304.434 2.764 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)OCCO2 ZINC000128892697 196002000 /nfs/dbraw/zinc/00/20/00/196002000.db2.gz JGJNVKUQECLJIX-INIZCTEOSA-N 2 1 304.434 2.764 20 0 DFADMP C[C@H](CNC1CC[NH+](Cc2cccc(F)c2)CC1)[N@H+](C)C1CC1 ZINC000130725091 196104517 /nfs/dbraw/zinc/10/45/17/196104517.db2.gz JEKQYKPTIHIHPW-OAHLLOKOSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@H](CNC1CC[NH+](Cc2cccc(F)c2)CC1)[N@@H+](C)C1CC1 ZINC000130725091 196104520 /nfs/dbraw/zinc/10/45/20/196104520.db2.gz JEKQYKPTIHIHPW-OAHLLOKOSA-N 2 1 319.468 2.862 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000130797811 196111184 /nfs/dbraw/zinc/11/11/84/196111184.db2.gz NZUHPNKORCREBY-CYBMUJFWSA-N 2 1 318.396 2.680 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(F)c1 ZINC000130797811 196111186 /nfs/dbraw/zinc/11/11/86/196111186.db2.gz NZUHPNKORCREBY-CYBMUJFWSA-N 2 1 318.396 2.680 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000131437687 196169025 /nfs/dbraw/zinc/16/90/25/196169025.db2.gz QUXCCPRASUKVDS-SFHVURJKSA-N 2 1 323.440 2.996 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000131783000 196198836 /nfs/dbraw/zinc/19/88/36/196198836.db2.gz SAPYDSBSJNRROV-HKUYNNGSSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000131783000 196198838 /nfs/dbraw/zinc/19/88/38/196198838.db2.gz SAPYDSBSJNRROV-HKUYNNGSSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000131783000 196198839 /nfs/dbraw/zinc/19/88/39/196198839.db2.gz SAPYDSBSJNRROV-HKUYNNGSSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000131783000 196198840 /nfs/dbraw/zinc/19/88/40/196198840.db2.gz SAPYDSBSJNRROV-HKUYNNGSSA-N 2 1 312.461 2.868 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1NC(C)=O ZINC000132158311 196231355 /nfs/dbraw/zinc/23/13/55/196231355.db2.gz PJTKGOXXXUMKBR-CYBMUJFWSA-N 2 1 321.465 2.892 20 0 DFADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301389 /nfs/dbraw/zinc/30/13/89/196301389.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301390 /nfs/dbraw/zinc/30/13/90/196301390.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301392 /nfs/dbraw/zinc/30/13/92/196301392.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301393 /nfs/dbraw/zinc/30/13/93/196301393.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977476 196301395 /nfs/dbraw/zinc/30/13/95/196301395.db2.gz NZHWDEOMENFHDE-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1csc(N2CCC([NH2+]CC[N@@H+](C)C3CCCC3)CC2)n1 ZINC000133209801 196322071 /nfs/dbraw/zinc/32/20/71/196322071.db2.gz RIXMDVDIBQWUFC-UHFFFAOYSA-N 2 1 322.522 2.884 20 0 DFADMP Cc1csc(N2CCC([NH2+]CC[N@H+](C)C3CCCC3)CC2)n1 ZINC000133209801 196322073 /nfs/dbraw/zinc/32/20/73/196322073.db2.gz RIXMDVDIBQWUFC-UHFFFAOYSA-N 2 1 322.522 2.884 20 0 DFADMP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000133907789 196345788 /nfs/dbraw/zinc/34/57/88/196345788.db2.gz VJCZKXFGLDFVQN-DOTOQJQBSA-N 2 1 320.477 2.956 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731604 543668278 /nfs/dbraw/zinc/66/82/78/543668278.db2.gz YDGYTXMDERZRHF-ZNMIVQPWSA-N 2 1 318.465 2.633 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731273 543668751 /nfs/dbraw/zinc/66/87/51/543668751.db2.gz OWAYHPGPPJKUAQ-OAHLLOKOSA-N 2 1 318.465 2.921 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c2cccs2)CC1 ZINC000667761977 543674545 /nfs/dbraw/zinc/67/45/45/543674545.db2.gz ILHYNBSNDRUUTN-TWMKSMIVSA-N 2 1 319.518 2.815 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667767328 543675346 /nfs/dbraw/zinc/67/53/46/543675346.db2.gz DONXXPXHPIYWCQ-RTBURBONSA-N 2 1 300.446 2.808 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000668015592 543724510 /nfs/dbraw/zinc/72/45/10/543724510.db2.gz GDPAEZCPHCRLMQ-AWEZNQCLSA-N 2 1 313.449 2.579 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000668015592 543724512 /nfs/dbraw/zinc/72/45/12/543724512.db2.gz GDPAEZCPHCRLMQ-AWEZNQCLSA-N 2 1 313.449 2.579 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172858 543759649 /nfs/dbraw/zinc/75/96/49/543759649.db2.gz VFBGTFINUUTSBP-MNEFBYGVSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172858 543759651 /nfs/dbraw/zinc/75/96/51/543759651.db2.gz VFBGTFINUUTSBP-MNEFBYGVSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172858 543759654 /nfs/dbraw/zinc/75/96/54/543759654.db2.gz VFBGTFINUUTSBP-MNEFBYGVSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668172858 543759655 /nfs/dbraw/zinc/75/96/55/543759655.db2.gz VFBGTFINUUTSBP-MNEFBYGVSA-N 2 1 318.461 2.626 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188417 543762733 /nfs/dbraw/zinc/76/27/33/543762733.db2.gz HQDOUXKRGYYVOP-VQIMIIECSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188417 543762737 /nfs/dbraw/zinc/76/27/37/543762737.db2.gz HQDOUXKRGYYVOP-VQIMIIECSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000668188417 543762738 /nfs/dbraw/zinc/76/27/38/543762738.db2.gz HQDOUXKRGYYVOP-VQIMIIECSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000668188417 543762742 /nfs/dbraw/zinc/76/27/42/543762742.db2.gz HQDOUXKRGYYVOP-VQIMIIECSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668228841 543773055 /nfs/dbraw/zinc/77/30/55/543773055.db2.gz SFNCIXJOBGNYJV-OAHLLOKOSA-N 2 1 300.406 2.516 20 0 DFADMP COC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668228841 543773058 /nfs/dbraw/zinc/77/30/58/543773058.db2.gz SFNCIXJOBGNYJV-OAHLLOKOSA-N 2 1 300.406 2.516 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+](C)CC1CN(C)C1 ZINC000668538214 543821191 /nfs/dbraw/zinc/82/11/91/543821191.db2.gz WSQPTTPWVKAMDH-UHFFFAOYSA-N 2 1 316.424 2.622 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+](C)CC1CN(C)C1 ZINC000668538214 543821193 /nfs/dbraw/zinc/82/11/93/543821193.db2.gz WSQPTTPWVKAMDH-UHFFFAOYSA-N 2 1 316.424 2.622 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000295932667 225390872 /nfs/dbraw/zinc/39/08/72/225390872.db2.gz KYETUXIMWLQLPP-CCNLRDMRSA-N 2 1 318.461 2.988 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2nccc3ccccc32)CCO1 ZINC000668784524 543866884 /nfs/dbraw/zinc/86/68/84/543866884.db2.gz DWJDRTXLNRYDBA-KRWDZBQOSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2nccc3ccccc32)CCO1 ZINC000668784524 543866885 /nfs/dbraw/zinc/86/68/85/543866885.db2.gz DWJDRTXLNRYDBA-KRWDZBQOSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000668784299 543866939 /nfs/dbraw/zinc/86/69/39/543866939.db2.gz ARORXZBNVZNVIZ-YWPBOTNQSA-N 2 1 306.425 2.882 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000668784299 543866940 /nfs/dbraw/zinc/86/69/40/543866940.db2.gz ARORXZBNVZNVIZ-YWPBOTNQSA-N 2 1 306.425 2.882 20 0 DFADMP C[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000668785265 543867017 /nfs/dbraw/zinc/86/70/17/543867017.db2.gz OZGISHTVGQRCAC-CRAIPNDOSA-N 2 1 308.441 2.972 20 0 DFADMP C[C@@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000670263699 544030184 /nfs/dbraw/zinc/03/01/84/544030184.db2.gz NUKHTLXBQAJNAZ-INIZCTEOSA-N 2 1 323.525 2.545 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cncn1C ZINC000671472172 544077819 /nfs/dbraw/zinc/07/78/19/544077819.db2.gz GXAIJKXLPWFCIN-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671752000 544106458 /nfs/dbraw/zinc/10/64/58/544106458.db2.gz KAYDXVMETPQGPE-XWSJACJDSA-N 2 1 300.446 2.763 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671742510 544105527 /nfs/dbraw/zinc/10/55/27/544105527.db2.gz DHKNACIIFPLSJK-CHWSQXEVSA-N 2 1 303.406 2.916 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccnn1C ZINC000671762058 544107948 /nfs/dbraw/zinc/10/79/48/544107948.db2.gz VMARWWBQSYWFPM-NXOAAHMSSA-N 2 1 304.482 2.622 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000672320688 544133529 /nfs/dbraw/zinc/13/35/29/544133529.db2.gz PZUNRPYVACDUEW-HNNXBMFYSA-N 2 1 321.465 2.726 20 0 DFADMP c1[nH]c2nccnc2c1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000290964489 222034823 /nfs/dbraw/zinc/03/48/23/222034823.db2.gz WSPIVZDTVVOSKZ-UHFFFAOYSA-N 2 1 321.428 2.712 20 0 DFADMP C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000290971421 222039745 /nfs/dbraw/zinc/03/97/45/222039745.db2.gz XKSMJWWKMWFWAS-KGLIPLIRSA-N 2 1 313.449 2.701 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291259320 222265843 /nfs/dbraw/zinc/26/58/43/222265843.db2.gz WTOGZQUNQYNMEQ-AQNXPRMDSA-N 2 1 313.489 2.644 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291259320 222265845 /nfs/dbraw/zinc/26/58/45/222265845.db2.gz WTOGZQUNQYNMEQ-AQNXPRMDSA-N 2 1 313.489 2.644 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000291210836 222226110 /nfs/dbraw/zinc/22/61/10/222226110.db2.gz MSMYZRXVYRYQQJ-JZXOWHBKSA-N 2 1 319.468 2.972 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000674049781 544216155 /nfs/dbraw/zinc/21/61/55/544216155.db2.gz ZKGIJSZORMWVCG-DNVCBOLYSA-N 2 1 318.461 2.989 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)nc1 ZINC000674863966 544271489 /nfs/dbraw/zinc/27/14/89/544271489.db2.gz UGGBSYBTGDQBEN-INIZCTEOSA-N 2 1 300.406 2.822 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)nc1 ZINC000674863966 544271491 /nfs/dbraw/zinc/27/14/91/544271491.db2.gz UGGBSYBTGDQBEN-INIZCTEOSA-N 2 1 300.406 2.822 20 0 DFADMP CCC1(CC)CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000674873925 544272716 /nfs/dbraw/zinc/27/27/16/544272716.db2.gz BDIXXQBTTDMHHK-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP CCC1(CC)CC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000674873925 544272718 /nfs/dbraw/zinc/27/27/18/544272718.db2.gz BDIXXQBTTDMHHK-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP CCC1(CC)CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000674873925 544272721 /nfs/dbraw/zinc/27/27/21/544272721.db2.gz BDIXXQBTTDMHHK-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP CCC1(CC)CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000674873925 544272722 /nfs/dbraw/zinc/27/27/22/544272722.db2.gz BDIXXQBTTDMHHK-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC000674965103 544280160 /nfs/dbraw/zinc/28/01/60/544280160.db2.gz MCTTYPBYHZHDOC-ZBFHGGJFSA-N 2 1 321.465 2.580 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000297555520 227296679 /nfs/dbraw/zinc/29/66/79/227296679.db2.gz GUZVOCKCQCRPIH-JKSUJKDBSA-N 2 1 323.799 2.875 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000675752462 544333871 /nfs/dbraw/zinc/33/38/71/544333871.db2.gz VLGZJFVJPZDPHY-FMKPAKJESA-N 2 1 302.418 2.735 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000675752462 544333872 /nfs/dbraw/zinc/33/38/72/544333872.db2.gz VLGZJFVJPZDPHY-FMKPAKJESA-N 2 1 302.418 2.735 20 0 DFADMP C[C@H](Cc1ccsc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880100 544341201 /nfs/dbraw/zinc/34/12/01/544341201.db2.gz BFFGROAKPPHOMI-PBHICJAKSA-N 2 1 308.491 2.912 20 0 DFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000676039157 544351233 /nfs/dbraw/zinc/35/12/33/544351233.db2.gz JEIZJPCHEFRBRG-QGZVFWFLSA-N 2 1 313.445 2.645 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000676039157 544351234 /nfs/dbraw/zinc/35/12/34/544351234.db2.gz JEIZJPCHEFRBRG-QGZVFWFLSA-N 2 1 313.445 2.645 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2ccc(C3CCCC3)cc2)CC1 ZINC000676091331 544356111 /nfs/dbraw/zinc/35/61/11/544356111.db2.gz MKZHYLPZLJUXCG-UHFFFAOYSA-N 2 1 302.462 2.891 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676414147 544375684 /nfs/dbraw/zinc/37/56/84/544375684.db2.gz PFDQGNNNTIEXCW-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP c1cnn(C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000677241657 544457560 /nfs/dbraw/zinc/45/75/60/544457560.db2.gz RTFNCDBBIZRCLL-QYZOEREBSA-N 2 1 310.445 2.841 20 0 DFADMP c1cnn(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000677241657 544457562 /nfs/dbraw/zinc/45/75/62/544457562.db2.gz RTFNCDBBIZRCLL-QYZOEREBSA-N 2 1 310.445 2.841 20 0 DFADMP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(OC)cc(C)[nH+]1 ZINC000677441370 544489119 /nfs/dbraw/zinc/48/91/19/544489119.db2.gz POOLUQNZBAOXTM-SJORKVTESA-N 2 1 303.450 2.847 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(OC)cc(C)[nH+]1 ZINC000677441370 544489123 /nfs/dbraw/zinc/48/91/23/544489123.db2.gz POOLUQNZBAOXTM-SJORKVTESA-N 2 1 303.450 2.847 20 0 DFADMP C[C@H](CO)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678044269 544586857 /nfs/dbraw/zinc/58/68/57/544586857.db2.gz NVABFELHZMEBIU-WDSOQIARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678044269 544586859 /nfs/dbraw/zinc/58/68/59/544586859.db2.gz NVABFELHZMEBIU-WDSOQIARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678044269 544586861 /nfs/dbraw/zinc/58/68/61/544586861.db2.gz NVABFELHZMEBIU-WDSOQIARSA-N 2 1 302.462 2.601 20 0 DFADMP CCN1C[C@H](C[N@H+](C)CC[C@H]2CCC[NH+]2C)Oc2ccccc21 ZINC000678073649 544594609 /nfs/dbraw/zinc/59/46/09/544594609.db2.gz DZQBHUHPLIYTHK-SJORKVTESA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)CC[C@H]2CCC[NH+]2C)Oc2ccccc21 ZINC000678073649 544594610 /nfs/dbraw/zinc/59/46/10/544594610.db2.gz DZQBHUHPLIYTHK-SJORKVTESA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@H](C[NH+](C)CC[C@H]2CCC[N@@H+]2C)Oc2ccccc21 ZINC000678073649 544594612 /nfs/dbraw/zinc/59/46/12/544594612.db2.gz DZQBHUHPLIYTHK-SJORKVTESA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@H](C[NH+](C)CC[C@H]2CCC[N@H+]2C)Oc2ccccc21 ZINC000678073649 544594614 /nfs/dbraw/zinc/59/46/14/544594614.db2.gz DZQBHUHPLIYTHK-SJORKVTESA-N 2 1 317.477 2.690 20 0 DFADMP CC[C@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000678074325 544594667 /nfs/dbraw/zinc/59/46/67/544594667.db2.gz GAWRSOSENCVIMV-GOSISDBHSA-N 2 1 303.494 2.797 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340896 544654948 /nfs/dbraw/zinc/65/49/48/544654948.db2.gz SDHFYAYQJXKSGW-LZLYRXPVSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340896 544654950 /nfs/dbraw/zinc/65/49/50/544654950.db2.gz SDHFYAYQJXKSGW-LZLYRXPVSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340896 544654951 /nfs/dbraw/zinc/65/49/51/544654951.db2.gz SDHFYAYQJXKSGW-LZLYRXPVSA-N 2 1 300.446 2.969 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C)nc2C)CC1 ZINC000678418240 544669688 /nfs/dbraw/zinc/66/96/88/544669688.db2.gz DLLLYUZFZONTOS-INIZCTEOSA-N 2 1 305.466 2.850 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000299366227 229077199 /nfs/dbraw/zinc/07/71/99/229077199.db2.gz WOADVHIBYXFNPT-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000299366227 229077200 /nfs/dbraw/zinc/07/72/00/229077200.db2.gz WOADVHIBYXFNPT-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2nn(C)c3ccccc23)C1 ZINC000678283346 544643716 /nfs/dbraw/zinc/64/37/16/544643716.db2.gz JKQUYTMXTGOAIC-OAHLLOKOSA-N 2 1 300.450 2.737 20 0 DFADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000678826483 544730886 /nfs/dbraw/zinc/73/08/86/544730886.db2.gz ZWNKIIBLPOSVSF-HNNXBMFYSA-N 2 1 313.449 2.620 20 0 DFADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000678826483 544730889 /nfs/dbraw/zinc/73/08/89/544730889.db2.gz ZWNKIIBLPOSVSF-HNNXBMFYSA-N 2 1 313.449 2.620 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000678608509 544702381 /nfs/dbraw/zinc/70/23/81/544702381.db2.gz XIJGQMNAVOENLF-ATZDWAIDSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000678608509 544702385 /nfs/dbraw/zinc/70/23/85/544702385.db2.gz XIJGQMNAVOENLF-ATZDWAIDSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[N@H+](C)CC1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000678708067 544710684 /nfs/dbraw/zinc/71/06/84/544710684.db2.gz IVVMUKDXJMXCIF-UHFFFAOYSA-N 2 1 317.481 2.633 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(c2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000678708067 544710688 /nfs/dbraw/zinc/71/06/88/544710688.db2.gz IVVMUKDXJMXCIF-UHFFFAOYSA-N 2 1 317.481 2.633 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679024735 544770209 /nfs/dbraw/zinc/77/02/09/544770209.db2.gz JHBRDHSETVJWNO-HZPDHXFCSA-N 2 1 312.461 2.815 20 0 DFADMP CCc1ccc([C@@H]([NH2+]C2CC[NH+](CCO)CC2)C(C)C)cc1 ZINC000679037414 544772655 /nfs/dbraw/zinc/77/26/55/544772655.db2.gz SHYRGEWHYBHMOI-IBGZPJMESA-N 2 1 304.478 2.992 20 0 DFADMP C[C@H](c1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000679146232 544792563 /nfs/dbraw/zinc/79/25/63/544792563.db2.gz YGXYXGQFBHCKLG-GPMSIDNRSA-N 2 1 317.477 2.974 20 0 DFADMP C[C@H](c1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000679146232 544792565 /nfs/dbraw/zinc/79/25/65/544792565.db2.gz YGXYXGQFBHCKLG-GPMSIDNRSA-N 2 1 317.477 2.974 20 0 DFADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000679148941 544792646 /nfs/dbraw/zinc/79/26/46/544792646.db2.gz WGFGIRUZRNKDSP-HZPDHXFCSA-N 2 1 305.466 2.830 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCCCO)CC2)oc1C ZINC000679341718 544837987 /nfs/dbraw/zinc/83/79/87/544837987.db2.gz VVDKRXSKYPVUSC-AWEZNQCLSA-N 2 1 323.481 2.644 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@@H]2O)cc1 ZINC000679359347 544841855 /nfs/dbraw/zinc/84/18/55/544841855.db2.gz BQUUDESOYIOEMI-HKUYNNGSSA-N 2 1 320.477 2.610 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000301971742 230011126 /nfs/dbraw/zinc/01/11/26/230011126.db2.gz GOIXWFKOUYFMNU-ZIAGYGMSSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000301971742 230011130 /nfs/dbraw/zinc/01/11/30/230011130.db2.gz GOIXWFKOUYFMNU-ZIAGYGMSSA-N 2 1 314.437 2.503 20 0 DFADMP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000679722209 544905374 /nfs/dbraw/zinc/90/53/74/544905374.db2.gz ZBWIKNPQLNXLKG-CEXWTWQISA-N 2 1 314.473 2.649 20 0 DFADMP C[C@@H]1CC[C@]2(CC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC000679834199 544914358 /nfs/dbraw/zinc/91/43/58/544914358.db2.gz WGAJMXMRIRMSPH-HOJAQTOUSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC000679834199 544914361 /nfs/dbraw/zinc/91/43/61/544914361.db2.gz WGAJMXMRIRMSPH-HOJAQTOUSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@]2(CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC000679834199 544914366 /nfs/dbraw/zinc/91/43/66/544914366.db2.gz WGAJMXMRIRMSPH-HOJAQTOUSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@]2(CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC000679834199 544914372 /nfs/dbraw/zinc/91/43/72/544914372.db2.gz WGAJMXMRIRMSPH-HOJAQTOUSA-N 2 1 316.489 2.991 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000679840656 544916426 /nfs/dbraw/zinc/91/64/26/544916426.db2.gz AASIFGGDACGYDH-GOSISDBHSA-N 2 1 315.461 2.947 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000679863920 544918661 /nfs/dbraw/zinc/91/86/61/544918661.db2.gz QJJBYMZTUMCNSC-VBSBHUPXSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000679863920 544918664 /nfs/dbraw/zinc/91/86/64/544918664.db2.gz QJJBYMZTUMCNSC-VBSBHUPXSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000679863920 544918668 /nfs/dbraw/zinc/91/86/68/544918668.db2.gz QJJBYMZTUMCNSC-VBSBHUPXSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000679863920 544918673 /nfs/dbraw/zinc/91/86/73/544918673.db2.gz QJJBYMZTUMCNSC-VBSBHUPXSA-N 2 1 316.489 2.990 20 0 DFADMP CCc1noc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)n1 ZINC000679872944 544920132 /nfs/dbraw/zinc/92/01/32/544920132.db2.gz CWBFZPKFLJAIJN-UHFFFAOYSA-N 2 1 308.470 2.966 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000679986836 544938683 /nfs/dbraw/zinc/93/86/83/544938683.db2.gz WXWMGUKTFRIGFV-HNNXBMFYSA-N 2 1 313.445 2.512 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000679986836 544938688 /nfs/dbraw/zinc/93/86/88/544938688.db2.gz WXWMGUKTFRIGFV-HNNXBMFYSA-N 2 1 313.445 2.512 20 0 DFADMP OCC[NH+]1CCC([NH2+]C2CC(c3cccc(Cl)c3)C2)CC1 ZINC000679997747 544940378 /nfs/dbraw/zinc/94/03/78/544940378.db2.gz RGUHXYKREXBOAU-UHFFFAOYSA-N 2 1 308.853 2.632 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000680334234 544992332 /nfs/dbraw/zinc/99/23/32/544992332.db2.gz KMFBAKVRZGQSCU-SZMVWBNQSA-N 2 1 302.487 2.992 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000680144378 544963651 /nfs/dbraw/zinc/96/36/51/544963651.db2.gz CBERCIHJTMLGAG-SLFFLAALSA-N 2 1 322.456 2.785 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000680144378 544963652 /nfs/dbraw/zinc/96/36/52/544963652.db2.gz CBERCIHJTMLGAG-SLFFLAALSA-N 2 1 322.456 2.785 20 0 DFADMP C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401424 545004745 /nfs/dbraw/zinc/00/47/45/545004745.db2.gz ZCVLUJUAJVNOTC-WBVHZDCISA-N 2 1 304.482 2.595 20 0 DFADMP Cc1cccc(N(C)C2CC[NH+](CCc3ccccn3)CC2)[nH+]1 ZINC000302630347 230326569 /nfs/dbraw/zinc/32/65/69/230326569.db2.gz GMSSZEQCXVPMOY-UHFFFAOYSA-N 2 1 310.445 2.928 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc(F)ccc2F)C[C@H](C)O1 ZINC000062252860 425899865 /nfs/dbraw/zinc/89/98/65/425899865.db2.gz PUORNFMCLZJNGV-OKILXGFUSA-N 2 1 312.404 2.944 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2cc(F)ccc2Cl)CC1 ZINC000124546900 425925507 /nfs/dbraw/zinc/92/55/07/425925507.db2.gz RJIJLWKQCZCNFT-UHFFFAOYSA-N 2 1 300.805 2.809 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)NCC[N@@H+](C)C2CCCCC2)c1 ZINC000155790691 425928085 /nfs/dbraw/zinc/92/80/85/425928085.db2.gz NZXZOWVRVVTCSH-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@H](CCN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000156209740 425933951 /nfs/dbraw/zinc/93/39/51/425933951.db2.gz SKGLPIVQOKXOMS-LMMKCTJWSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156209740 425933952 /nfs/dbraw/zinc/93/39/52/425933952.db2.gz SKGLPIVQOKXOMS-LMMKCTJWSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156209740 425933959 /nfs/dbraw/zinc/93/39/59/425933959.db2.gz SKGLPIVQOKXOMS-LMMKCTJWSA-N 2 1 303.494 2.827 20 0 DFADMP NC(=O)[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000026224491 425810556 /nfs/dbraw/zinc/81/05/56/425810556.db2.gz AKJNZROQSFJVJT-LJQANCHMSA-N 2 1 323.440 2.599 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000037484257 425848157 /nfs/dbraw/zinc/84/81/57/425848157.db2.gz NZEZAOWJMPKXEA-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000037484257 425848158 /nfs/dbraw/zinc/84/81/58/425848158.db2.gz NZEZAOWJMPKXEA-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000037484291 425848230 /nfs/dbraw/zinc/84/82/30/425848230.db2.gz XDNYKDQSJHCEHO-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@H]3CCCC[C@@H]32)CC1 ZINC000192794057 268047950 /nfs/dbraw/zinc/04/79/50/268047950.db2.gz RMSOVXWODOKRKQ-QRVBRYPASA-N 2 1 307.526 2.913 20 0 DFADMP OC(C[NH+]1C[C@@H]2CCCC[C@@H]2C1)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000194613787 268109529 /nfs/dbraw/zinc/10/95/29/268109529.db2.gz KAEOMULSUNOGSK-USTZCAOPSA-N 2 1 306.494 2.591 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000236826387 268151511 /nfs/dbraw/zinc/15/15/11/268151511.db2.gz CLWFAZWBVGXIBU-UHFFFAOYSA-N 2 1 320.481 2.825 20 0 DFADMP c1cn(CCC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cn1 ZINC000278858033 268268561 /nfs/dbraw/zinc/26/85/61/268268561.db2.gz KVTZLCATKRBJOL-UHFFFAOYSA-N 2 1 313.449 2.686 20 0 DFADMP CCC[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296361325 268303012 /nfs/dbraw/zinc/30/30/12/268303012.db2.gz RWMWPAPCSGUZTL-SFHVURJKSA-N 2 1 305.466 2.781 20 0 DFADMP Cc1cc(NC(=O)N2CCC[N@@H+](C(C)C)CC2)cn2cc[nH+]c12 ZINC000297127966 268309698 /nfs/dbraw/zinc/30/96/98/268309698.db2.gz YKIZZHRKLYXATH-UHFFFAOYSA-N 2 1 315.421 2.591 20 0 DFADMP Cc1cc(NC(=O)N2CCC[N@H+](C(C)C)CC2)cn2cc[nH+]c12 ZINC000297127966 268309699 /nfs/dbraw/zinc/30/96/99/268309699.db2.gz YKIZZHRKLYXATH-UHFFFAOYSA-N 2 1 315.421 2.591 20 0 DFADMP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000309930812 268336759 /nfs/dbraw/zinc/33/67/59/268336759.db2.gz ZBGNIQPCRAAUQE-UXHICEINSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000309930812 268336760 /nfs/dbraw/zinc/33/67/60/268336760.db2.gz ZBGNIQPCRAAUQE-UXHICEINSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000309930812 268336761 /nfs/dbraw/zinc/33/67/61/268336761.db2.gz ZBGNIQPCRAAUQE-UXHICEINSA-N 2 1 313.489 2.867 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000309976210 268336831 /nfs/dbraw/zinc/33/68/31/268336831.db2.gz RGTPIFVWAXCUBD-LSDHHAIUSA-N 2 1 313.486 2.611 20 0 DFADMP CC(C)(C)[C@H](O)C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310029095 268337399 /nfs/dbraw/zinc/33/73/99/268337399.db2.gz WUDQFZIGCKOWPM-CEXWTWQISA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310029095 268337401 /nfs/dbraw/zinc/33/74/01/268337401.db2.gz WUDQFZIGCKOWPM-CEXWTWQISA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310029095 268337403 /nfs/dbraw/zinc/33/74/03/268337403.db2.gz WUDQFZIGCKOWPM-CEXWTWQISA-N 2 1 316.489 2.847 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000323175069 268349349 /nfs/dbraw/zinc/34/93/49/268349349.db2.gz BLTWMHICTJJPSZ-SFHVURJKSA-N 2 1 317.477 2.574 20 0 DFADMP C[C@H](c1cc(Cl)ccc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148834 425982871 /nfs/dbraw/zinc/98/28/71/425982871.db2.gz NMXMIXVPEKVGHQ-GFCCVEGCSA-N 2 1 316.276 2.891 20 0 DFADMP C[C@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148834 425982873 /nfs/dbraw/zinc/98/28/73/425982873.db2.gz NMXMIXVPEKVGHQ-GFCCVEGCSA-N 2 1 316.276 2.891 20 0 DFADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368287 425990087 /nfs/dbraw/zinc/99/00/87/425990087.db2.gz LKHAWDIIBVZRGN-RBUKOAKNSA-N 2 1 301.478 2.850 20 0 DFADMP CCCCN(CCCC)C(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158525077 425943732 /nfs/dbraw/zinc/94/37/32/425943732.db2.gz DNMUHMIAJRQLHX-QZTJIDSGSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158594997 425944571 /nfs/dbraw/zinc/94/45/71/425944571.db2.gz HGZYOWSKSBUTLL-CWQOZTLDSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158594997 425944572 /nfs/dbraw/zinc/94/45/72/425944572.db2.gz HGZYOWSKSBUTLL-CWQOZTLDSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158594997 425944575 /nfs/dbraw/zinc/94/45/75/425944575.db2.gz HGZYOWSKSBUTLL-CWQOZTLDSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158594997 425944578 /nfs/dbraw/zinc/94/45/78/425944578.db2.gz HGZYOWSKSBUTLL-CWQOZTLDSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@@H](c1ccc([S@](C)=O)cc1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124908364 425944806 /nfs/dbraw/zinc/94/48/06/425944806.db2.gz VCGHUGUDXLZQGY-WDUKFBBWSA-N 2 1 308.491 2.901 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000158765489 425946997 /nfs/dbraw/zinc/94/69/97/425946997.db2.gz SAVIXTQJOQDHDB-SOLBZPMBSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158756569 425947513 /nfs/dbraw/zinc/94/75/13/425947513.db2.gz RTAYCSFJPGMDCC-NUJGCVRESA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000158845604 425948818 /nfs/dbraw/zinc/94/88/18/425948818.db2.gz TUSRGUBGYNFGCP-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2c(s1)CCC2 ZINC000158934901 425950593 /nfs/dbraw/zinc/95/05/93/425950593.db2.gz FKFBNNMKBATKOL-HOCLYGCPSA-N 2 1 322.518 2.980 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)CCn1cccn1 ZINC000125297849 425964188 /nfs/dbraw/zinc/96/41/88/425964188.db2.gz WGEHQJFCGISBPU-UHFFFAOYSA-N 2 1 314.477 2.973 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)CCn1cccn1 ZINC000125297849 425964192 /nfs/dbraw/zinc/96/41/92/425964192.db2.gz WGEHQJFCGISBPU-UHFFFAOYSA-N 2 1 314.477 2.973 20 0 DFADMP C[NH+](CCn1cccn1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000125297849 425964194 /nfs/dbraw/zinc/96/41/94/425964194.db2.gz WGEHQJFCGISBPU-UHFFFAOYSA-N 2 1 314.477 2.973 20 0 DFADMP C[NH+](CCn1cccn1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000125297849 425964196 /nfs/dbraw/zinc/96/41/96/425964196.db2.gz WGEHQJFCGISBPU-UHFFFAOYSA-N 2 1 314.477 2.973 20 0 DFADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000105480512 425968242 /nfs/dbraw/zinc/96/82/42/425968242.db2.gz KQNGFDNVWHAYSJ-HOCLYGCPSA-N 2 1 306.450 2.914 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1 ZINC000125417880 425970765 /nfs/dbraw/zinc/97/07/65/425970765.db2.gz FQAPGUSJBBXVRF-AEFFLSMTSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000125417880 425970768 /nfs/dbraw/zinc/97/07/68/425970768.db2.gz FQAPGUSJBBXVRF-AEFFLSMTSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000125417880 425970771 /nfs/dbraw/zinc/97/07/71/425970771.db2.gz FQAPGUSJBBXVRF-AEFFLSMTSA-N 2 1 321.509 2.725 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000125418979 425971084 /nfs/dbraw/zinc/97/10/84/425971084.db2.gz LASIWPRMPQTBLT-QZTJIDSGSA-N 2 1 318.461 2.818 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000125418979 425971085 /nfs/dbraw/zinc/97/10/85/425971085.db2.gz LASIWPRMPQTBLT-QZTJIDSGSA-N 2 1 318.461 2.818 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000070860921 425977609 /nfs/dbraw/zinc/97/76/09/425977609.db2.gz RSXQISFPHPCDOF-MRXNPFEDSA-N 2 1 312.417 2.745 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C(C)(C)C ZINC000126729264 426034712 /nfs/dbraw/zinc/03/47/12/426034712.db2.gz IKFWUHAPTRGOSN-MRXNPFEDSA-N 2 1 303.494 2.958 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCOC3)CC2)cs1 ZINC000161707848 426035375 /nfs/dbraw/zinc/03/53/75/426035375.db2.gz PGZWHKMEGXFDAY-XJKSGUPXSA-N 2 1 323.506 2.678 20 0 DFADMP CC[C@H](COC)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000161754715 426037265 /nfs/dbraw/zinc/03/72/65/426037265.db2.gz ZPQYMNXZIZREPQ-OAHLLOKOSA-N 2 1 311.495 2.678 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000126910982 426042062 /nfs/dbraw/zinc/04/20/62/426042062.db2.gz QMXOIAJTZGCZAO-RHSMWYFYSA-N 2 1 308.491 2.975 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000126910982 426042063 /nfs/dbraw/zinc/04/20/63/426042063.db2.gz QMXOIAJTZGCZAO-RHSMWYFYSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)CC[N@@H+]1C ZINC000162386386 426062907 /nfs/dbraw/zinc/06/29/07/426062907.db2.gz NDPKAVJUVUCDDM-NVXWUHKLSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)CC[N@H+]1C ZINC000162386386 426062909 /nfs/dbraw/zinc/06/29/09/426062909.db2.gz NDPKAVJUVUCDDM-NVXWUHKLSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162419964 426064487 /nfs/dbraw/zinc/06/44/87/426064487.db2.gz UWYDRYKFXGDWTN-NUJGCVRESA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162419964 426064490 /nfs/dbraw/zinc/06/44/90/426064490.db2.gz UWYDRYKFXGDWTN-NUJGCVRESA-N 2 1 316.493 2.890 20 0 DFADMP CC(C)(C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000108420600 426016867 /nfs/dbraw/zinc/01/68/67/426016867.db2.gz WBBDJYKQPVYBPX-KRWDZBQOSA-N 2 1 317.477 2.520 20 0 DFADMP CCCC[C@H](COC)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126418285 426018636 /nfs/dbraw/zinc/01/86/36/426018636.db2.gz GSJDDLKKDBLFAT-MRXNPFEDSA-N 2 1 302.422 2.871 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860225 426088713 /nfs/dbraw/zinc/08/87/13/426088713.db2.gz QIYWIVNNSUCZMI-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860225 426088716 /nfs/dbraw/zinc/08/87/16/426088716.db2.gz QIYWIVNNSUCZMI-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075860225 426088718 /nfs/dbraw/zinc/08/87/18/426088718.db2.gz QIYWIVNNSUCZMI-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075860225 426088721 /nfs/dbraw/zinc/08/87/21/426088721.db2.gz QIYWIVNNSUCZMI-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000163286046 426095681 /nfs/dbraw/zinc/09/56/81/426095681.db2.gz QZMFJDMNKARTOP-DZGCQCFKSA-N 2 1 319.449 2.646 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000076109624 426101245 /nfs/dbraw/zinc/10/12/45/426101245.db2.gz YEOODEKBJPCSJE-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000076109624 426101247 /nfs/dbraw/zinc/10/12/47/426101247.db2.gz YEOODEKBJPCSJE-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000076109624 426101249 /nfs/dbraw/zinc/10/12/49/426101249.db2.gz YEOODEKBJPCSJE-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP CC(C)(C)[C@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128116861 426102798 /nfs/dbraw/zinc/10/27/98/426102798.db2.gz YRONTCHUSUWNBH-YESZJQIVSA-N 2 1 323.525 2.768 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128260106 426109949 /nfs/dbraw/zinc/10/99/49/426109949.db2.gz XJMFGWWVYMMZIV-KRWDZBQOSA-N 2 1 303.494 2.927 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC000128262780 426110465 /nfs/dbraw/zinc/11/04/65/426110465.db2.gz HZSGFWLRQWPMGM-AWEZNQCLSA-N 2 1 311.420 2.643 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164085648 426111700 /nfs/dbraw/zinc/11/17/00/426111700.db2.gz LMXKUZRDNXYYES-RDBSUJKOSA-N 2 1 313.486 2.608 20 0 DFADMP CC[N@H+]1CC[C@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076458385 426111846 /nfs/dbraw/zinc/11/18/46/426111846.db2.gz CHNCJTOESAIWKP-GOSISDBHSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076458385 426111848 /nfs/dbraw/zinc/11/18/48/426111848.db2.gz CHNCJTOESAIWKP-GOSISDBHSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076458385 426111851 /nfs/dbraw/zinc/11/18/51/426111851.db2.gz CHNCJTOESAIWKP-GOSISDBHSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1ccccc1C[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128466878 426118693 /nfs/dbraw/zinc/11/86/93/426118693.db2.gz PVCVIODFJLUZRH-SFHVURJKSA-N 2 1 303.494 2.543 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000128472219 426119041 /nfs/dbraw/zinc/11/90/41/426119041.db2.gz OBFSIZCQEHKSOW-AWEZNQCLSA-N 2 1 311.857 2.974 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1nnn(-c2ccccc2)c1C ZINC000338018001 268602292 /nfs/dbraw/zinc/60/22/92/268602292.db2.gz GTISOUQTTNOSEC-CQSZACIVSA-N 2 1 324.432 2.822 20 0 DFADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000165895892 426124318 /nfs/dbraw/zinc/12/43/18/426124318.db2.gz UCXMMVMGINYUCP-GOSISDBHSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000166337476 426126636 /nfs/dbraw/zinc/12/66/36/426126636.db2.gz AZPRWTRAZHBWOO-KCITZHQASA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000166337476 426126639 /nfs/dbraw/zinc/12/66/39/426126639.db2.gz AZPRWTRAZHBWOO-KCITZHQASA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000166337476 426126643 /nfs/dbraw/zinc/12/66/43/426126643.db2.gz AZPRWTRAZHBWOO-KCITZHQASA-N 2 1 301.478 2.722 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H](Cc2ccccc2)C2CC2)CCOCC1 ZINC000168263761 426134461 /nfs/dbraw/zinc/13/44/61/426134461.db2.gz VTLMDJSDQCHIKM-GOSISDBHSA-N 2 1 302.462 2.708 20 0 DFADMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000162798990 426077136 /nfs/dbraw/zinc/07/71/36/426077136.db2.gz XGYYKEZTZJBEKD-JQFCIGGWSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000162798990 426077141 /nfs/dbraw/zinc/07/71/41/426077141.db2.gz XGYYKEZTZJBEKD-JQFCIGGWSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000162798990 426077144 /nfs/dbraw/zinc/07/71/44/426077144.db2.gz XGYYKEZTZJBEKD-JQFCIGGWSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000162798990 426077147 /nfs/dbraw/zinc/07/71/47/426077147.db2.gz XGYYKEZTZJBEKD-JQFCIGGWSA-N 2 1 308.853 2.790 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000162823733 426078966 /nfs/dbraw/zinc/07/89/66/426078966.db2.gz RLFXKAIIVBLICJ-AEFFLSMTSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000162823733 426078968 /nfs/dbraw/zinc/07/89/68/426078968.db2.gz RLFXKAIIVBLICJ-AEFFLSMTSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000162823733 426078970 /nfs/dbraw/zinc/07/89/70/426078970.db2.gz RLFXKAIIVBLICJ-AEFFLSMTSA-N 2 1 315.461 2.740 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccnc1 ZINC000112517309 426080455 /nfs/dbraw/zinc/08/04/55/426080455.db2.gz QGNKIGKYTOWYHS-MRXNPFEDSA-N 2 1 311.429 2.765 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162918028 426082473 /nfs/dbraw/zinc/08/24/73/426082473.db2.gz PUODEXNYOHJQKR-LPHOPBHVSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162918028 426082476 /nfs/dbraw/zinc/08/24/76/426082476.db2.gz PUODEXNYOHJQKR-LPHOPBHVSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000162974889 426085180 /nfs/dbraw/zinc/08/51/80/426085180.db2.gz QRDKDVIXYRJIPM-MNEFBYGVSA-N 2 1 320.452 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130390298 426158107 /nfs/dbraw/zinc/15/81/07/426158107.db2.gz NCNNQFPUIAGKBY-GPMSIDNRSA-N 2 1 312.461 2.733 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000134155441 426186231 /nfs/dbraw/zinc/18/62/31/426186231.db2.gz POMMPOCRGLWIMN-HKUYNNGSSA-N 2 1 307.526 2.842 20 0 DFADMP CC[C@@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000134580627 426188299 /nfs/dbraw/zinc/18/82/99/426188299.db2.gz CQSBZMUJXSCRDN-IBGZPJMESA-N 2 1 317.477 2.675 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000173709028 426245772 /nfs/dbraw/zinc/24/57/72/426245772.db2.gz CYRJOLLXVBUXHK-PKOBYXMFSA-N 2 1 301.478 2.768 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000150824261 426263202 /nfs/dbraw/zinc/26/32/02/426263202.db2.gz GBMDAQHRTMKXCK-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119113352 426264255 /nfs/dbraw/zinc/26/42/55/426264255.db2.gz JVPHIVISLZFTGN-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119113352 426264258 /nfs/dbraw/zinc/26/42/58/426264258.db2.gz JVPHIVISLZFTGN-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119113352 426264260 /nfs/dbraw/zinc/26/42/60/426264260.db2.gz JVPHIVISLZFTGN-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113352 426264263 /nfs/dbraw/zinc/26/42/63/426264263.db2.gz JVPHIVISLZFTGN-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113352 426264265 /nfs/dbraw/zinc/26/42/65/426264265.db2.gz JVPHIVISLZFTGN-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP CCc1ccc(-c2noc(CCC[NH+]3CCC([NH3+])CC3)n2)cc1 ZINC000339368204 268799084 /nfs/dbraw/zinc/79/90/84/268799084.db2.gz TTWGFGUROPMFNG-UHFFFAOYSA-N 2 1 314.433 2.655 20 0 DFADMP CC(C)n1cc([C@H](C)NCc2cccnc2-n2ccnc2)cn1 ZINC000151538175 426301092 /nfs/dbraw/zinc/30/10/92/426301092.db2.gz DRXNIVVBXMTAMZ-AWEZNQCLSA-N 2 1 310.405 2.896 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000120351219 426309624 /nfs/dbraw/zinc/30/96/24/426309624.db2.gz MHUUUZHWNJMCEP-YWTNHNAXSA-N 2 1 301.478 2.974 20 0 DFADMP CN(Cc1c(F)cccc1N1CCCC1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120942318 426317826 /nfs/dbraw/zinc/31/78/26/426317826.db2.gz LPVHUVCRJRIDNK-OAHLLOKOSA-N 2 1 305.441 2.809 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104561 426326994 /nfs/dbraw/zinc/32/69/94/426326994.db2.gz TUFONLWTNSNCRV-GJYPPUQNSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000121238719 426327237 /nfs/dbraw/zinc/32/72/37/426327237.db2.gz BGMOXBHYTJEGEV-BFYDXBDKSA-N 2 1 300.450 2.745 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCN2CCCc3ccccc32)C1 ZINC000090551757 426327976 /nfs/dbraw/zinc/32/79/76/426327976.db2.gz HIHPPMCPCPNZPA-KRWDZBQOSA-N 2 1 301.478 2.713 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCN2CCCc3ccccc32)C1 ZINC000090551757 426327979 /nfs/dbraw/zinc/32/79/79/426327979.db2.gz HIHPPMCPCPNZPA-KRWDZBQOSA-N 2 1 301.478 2.713 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000090551757 426327982 /nfs/dbraw/zinc/32/79/82/426327982.db2.gz HIHPPMCPCPNZPA-KRWDZBQOSA-N 2 1 301.478 2.713 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000090936172 426332813 /nfs/dbraw/zinc/33/28/13/426332813.db2.gz XNHRWXMRJZXOPD-CJTUPEFNSA-N 2 1 314.832 2.831 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000091059776 426337877 /nfs/dbraw/zinc/33/78/77/426337877.db2.gz HCPWICZZNOGZLA-HNNXBMFYSA-N 2 1 309.417 2.803 20 0 DFADMP C[N@@H+](CCn1ccnc1)Cc1ccc(Br)s1 ZINC000122814291 426396081 /nfs/dbraw/zinc/39/60/81/426396081.db2.gz QTMVGAGJSRFBRV-UHFFFAOYSA-N 2 1 300.225 2.839 20 0 DFADMP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000122862622 426398678 /nfs/dbraw/zinc/39/86/78/426398678.db2.gz UETGOPUDZZWKKF-DOTOQJQBSA-N 2 1 312.417 2.713 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176004041 426345099 /nfs/dbraw/zinc/34/50/99/426345099.db2.gz KSRXYVPEWIMOJJ-PBHICJAKSA-N 2 1 318.465 2.552 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000152655336 426348853 /nfs/dbraw/zinc/34/88/53/426348853.db2.gz DREWNZNICYQTSZ-SWLSCSKDSA-N 2 1 323.868 2.907 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000092747733 426351373 /nfs/dbraw/zinc/35/13/73/426351373.db2.gz RDNANHZJCNJILL-JSGCOSHPSA-N 2 1 311.495 2.633 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000092747733 426351377 /nfs/dbraw/zinc/35/13/77/426351377.db2.gz RDNANHZJCNJILL-JSGCOSHPSA-N 2 1 311.495 2.633 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000152769318 426352804 /nfs/dbraw/zinc/35/28/04/426352804.db2.gz HXXGADDQAFIHTP-HLLBOEOZSA-N 2 1 305.441 2.724 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000153776827 426405546 /nfs/dbraw/zinc/40/55/46/426405546.db2.gz BQPHETNJZOGXIJ-AWEZNQCLSA-N 2 1 311.445 2.511 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(F)cc1N(C)C ZINC000153776827 426405549 /nfs/dbraw/zinc/40/55/49/426405549.db2.gz BQPHETNJZOGXIJ-AWEZNQCLSA-N 2 1 311.445 2.511 20 0 DFADMP FC(F)(F)CCCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000153520927 426389748 /nfs/dbraw/zinc/38/97/48/426389748.db2.gz RRIPQUKMMRXGPG-CQSZACIVSA-N 2 1 308.388 2.763 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000122722163 426391150 /nfs/dbraw/zinc/39/11/50/426391150.db2.gz ZPNYAMKXRKBFSY-ONGXEEELSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000122722163 426391153 /nfs/dbraw/zinc/39/11/53/426391153.db2.gz ZPNYAMKXRKBFSY-ONGXEEELSA-N 2 1 303.269 2.940 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154030558 426419914 /nfs/dbraw/zinc/41/99/14/426419914.db2.gz MJRKKOJOPLBJTH-UAGQMJEPSA-N 2 1 305.466 2.655 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1 ZINC000123449328 426434440 /nfs/dbraw/zinc/43/44/40/426434440.db2.gz SEGFXEJLFKTXPH-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123449328 426434442 /nfs/dbraw/zinc/43/44/42/426434442.db2.gz SEGFXEJLFKTXPH-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123449328 426434446 /nfs/dbraw/zinc/43/44/46/426434446.db2.gz SEGFXEJLFKTXPH-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123449328 426434450 /nfs/dbraw/zinc/43/44/50/426434450.db2.gz SEGFXEJLFKTXPH-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123449328 426434454 /nfs/dbraw/zinc/43/44/54/426434454.db2.gz SEGFXEJLFKTXPH-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154323664 426435492 /nfs/dbraw/zinc/43/54/92/426435492.db2.gz VPVXRZQMEWUFLG-IUODEOHRSA-N 2 1 318.383 2.539 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCCOc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000123528267 426439472 /nfs/dbraw/zinc/43/94/72/426439472.db2.gz LCUMMCHOTLRVBV-GJZGRUSLSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCCOc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000123528267 426439475 /nfs/dbraw/zinc/43/94/75/426439475.db2.gz LCUMMCHOTLRVBV-GJZGRUSLSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCCOc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123528267 426439479 /nfs/dbraw/zinc/43/94/79/426439479.db2.gz LCUMMCHOTLRVBV-GJZGRUSLSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCCOc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123528267 426439482 /nfs/dbraw/zinc/43/94/82/426439482.db2.gz LCUMMCHOTLRVBV-GJZGRUSLSA-N 2 1 320.433 2.599 20 0 DFADMP CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000123549287 426440253 /nfs/dbraw/zinc/44/02/53/426440253.db2.gz MHRGCILVHNFFTR-SFHVURJKSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154478318 426442974 /nfs/dbraw/zinc/44/29/74/426442974.db2.gz PLKCHVKMTQSSSO-PXNSSMCTSA-N 2 1 315.505 2.927 20 0 DFADMP CC[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000154529642 426444255 /nfs/dbraw/zinc/44/42/55/426444255.db2.gz OYCBGMACHAJABL-SFHVURJKSA-N 2 1 308.441 2.583 20 0 DFADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000341068939 269037840 /nfs/dbraw/zinc/03/78/40/269037840.db2.gz ZDKLSLWNFQGTPO-VQIMIIECSA-N 2 1 304.478 2.992 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+](Cc2ccccn2)CC1 ZINC000341442017 269078100 /nfs/dbraw/zinc/07/81/00/269078100.db2.gz QFDTXNBUSZIARC-QGZVFWFLSA-N 2 1 316.493 2.510 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](Cc2ccccn2)CC1 ZINC000341442017 269078102 /nfs/dbraw/zinc/07/81/02/269078102.db2.gz QFDTXNBUSZIARC-QGZVFWFLSA-N 2 1 316.493 2.510 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177216926 426455540 /nfs/dbraw/zinc/45/55/40/426455540.db2.gz SHXHNFMVYGMDPI-CVEARBPZSA-N 2 1 309.498 2.630 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC2OCCO2)CC1 ZINC000124105505 426470034 /nfs/dbraw/zinc/47/00/34/426470034.db2.gz PNONGXIUQMKKBX-UHFFFAOYSA-N 2 1 318.461 2.593 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2sccc2OC)CC1 ZINC000186147750 426488719 /nfs/dbraw/zinc/48/87/19/426488719.db2.gz ZQTOYTDRQZOUGB-ZDUSSCGKSA-N 2 1 312.479 2.908 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000177488557 426488842 /nfs/dbraw/zinc/48/88/42/426488842.db2.gz ANEAPTVAYOFASP-SCTDSRPQSA-N 2 1 324.509 2.767 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)C(C)C)cc1)C(C)C ZINC000101952948 426487434 /nfs/dbraw/zinc/48/74/34/426487434.db2.gz SSYFVIYRMRQQOY-UHFFFAOYSA-N 2 1 319.493 2.987 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1)C(C)C ZINC000101952948 426487435 /nfs/dbraw/zinc/48/74/35/426487435.db2.gz SSYFVIYRMRQQOY-UHFFFAOYSA-N 2 1 319.493 2.987 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1)C(C)C ZINC000101952948 426487436 /nfs/dbraw/zinc/48/74/36/426487436.db2.gz SSYFVIYRMRQQOY-UHFFFAOYSA-N 2 1 319.493 2.987 20 0 DFADMP C[C@@H](NCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272395609 426516297 /nfs/dbraw/zinc/51/62/97/426516297.db2.gz DGPPHVKTBMFAJU-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272395609 426516298 /nfs/dbraw/zinc/51/62/98/426516298.db2.gz DGPPHVKTBMFAJU-UYAOXDASSA-N 3 1 315.505 2.973 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272395609 426516299 /nfs/dbraw/zinc/51/62/99/426516299.db2.gz DGPPHVKTBMFAJU-UYAOXDASSA-N 3 1 315.505 2.973 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272548810 426554671 /nfs/dbraw/zinc/55/46/71/426554671.db2.gz DWFYUNMCQXFHIZ-IMBTUZDBSA-N 2 1 304.478 2.894 20 0 DFADMP Cc1ccc(C)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000264350376 426539809 /nfs/dbraw/zinc/53/98/09/426539809.db2.gz HEQFQRJADQEAAY-QGZVFWFLSA-N 2 1 304.478 2.828 20 0 DFADMP Cc1ccc(C)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000264350374 426540470 /nfs/dbraw/zinc/54/04/70/426540470.db2.gz HEQFQRJADQEAAY-KRWDZBQOSA-N 2 1 304.478 2.828 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(OC(C)C)C2)[C@H](C)C1 ZINC000186552371 426548543 /nfs/dbraw/zinc/54/85/43/426548543.db2.gz MPGJFCQUEKITHQ-AQEOSJORSA-N 2 1 312.498 2.669 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2sccc2OC)CC1 ZINC000186147769 426489247 /nfs/dbraw/zinc/48/92/47/426489247.db2.gz ZQTOYTDRQZOUGB-CYBMUJFWSA-N 2 1 312.479 2.908 20 0 DFADMP C[C@H](N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321263 426504190 /nfs/dbraw/zinc/50/41/90/426504190.db2.gz PHJNUMVRIASZEV-MRHSLFKSSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@H](N[C@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321263 426504193 /nfs/dbraw/zinc/50/41/93/426504193.db2.gz PHJNUMVRIASZEV-MRHSLFKSSA-N 2 1 301.478 2.893 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000178228830 426589896 /nfs/dbraw/zinc/58/98/96/426589896.db2.gz NHJRJUGJJJKEEK-NVXWUHKLSA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000178228830 426589903 /nfs/dbraw/zinc/58/99/03/426589903.db2.gz NHJRJUGJJJKEEK-NVXWUHKLSA-N 2 1 317.477 2.736 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)CC2)cc1 ZINC000186904866 426604577 /nfs/dbraw/zinc/60/45/77/426604577.db2.gz DZYCEMLMELLKOR-QRVBRYPASA-N 2 1 300.446 2.808 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000178324716 426606575 /nfs/dbraw/zinc/60/65/75/426606575.db2.gz HJLJFMNKEXDJGX-QGZVFWFLSA-N 2 1 322.412 2.698 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000178324716 426606579 /nfs/dbraw/zinc/60/65/79/426606579.db2.gz HJLJFMNKEXDJGX-QGZVFWFLSA-N 2 1 322.412 2.698 20 0 DFADMP C[N@@H+](CCN1CCC[C@@H]1C[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000186926375 426609719 /nfs/dbraw/zinc/60/97/19/426609719.db2.gz GOGXDLVJKBWLOM-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000289238936 426610530 /nfs/dbraw/zinc/61/05/30/426610530.db2.gz MRIQPHCTRJQKEG-MRXNPFEDSA-N 2 1 322.424 2.522 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3c2ccc(OC)c3F)CC1 ZINC000289238935 426611141 /nfs/dbraw/zinc/61/11/41/426611141.db2.gz MRIQPHCTRJQKEG-INIZCTEOSA-N 2 1 322.424 2.522 20 0 DFADMP COCC[C@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178375702 426618038 /nfs/dbraw/zinc/61/80/38/426618038.db2.gz QGHSNGNPGKGADX-KDOFPFPSSA-N 2 1 317.433 2.619 20 0 DFADMP COCC[C@@](C)(O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178375681 426618109 /nfs/dbraw/zinc/61/81/09/426618109.db2.gz QGHSNGNPGKGADX-RDTXWAMCSA-N 2 1 317.433 2.619 20 0 DFADMP C[C@H]([NH2+]CC1(O)CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272554926 426556356 /nfs/dbraw/zinc/55/63/56/426556356.db2.gz TVCZRAVREMHHHC-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cnn(C)c1 ZINC000272562502 426558553 /nfs/dbraw/zinc/55/85/53/426558553.db2.gz NXDIRDIXOXFNFD-SMMRIJLZSA-N 2 1 324.472 2.981 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000178390751 426620358 /nfs/dbraw/zinc/62/03/58/426620358.db2.gz KFYYWHJYXNKGPQ-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272574354 426562860 /nfs/dbraw/zinc/56/28/60/426562860.db2.gz PNAPAPPLOAJKHT-INDMIFKZSA-N 2 1 302.462 2.504 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@H]21 ZINC000228544486 426632882 /nfs/dbraw/zinc/63/28/82/426632882.db2.gz GIOJVVAMZRFQMB-DAXOMENPSA-N 2 1 306.837 2.834 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](C)[NH2+]C(C)(C)CC)c1 ZINC000273296188 426637687 /nfs/dbraw/zinc/63/76/87/426637687.db2.gz YYEYOSJMZQOEJH-HNNXBMFYSA-N 2 1 319.493 2.921 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000289365968 426638295 /nfs/dbraw/zinc/63/82/95/426638295.db2.gz ZRWHGRQXYXBOPY-BLLLJJGKSA-N 2 1 304.409 2.896 20 0 DFADMP CC(C)[NH2+]C1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000187237902 426641704 /nfs/dbraw/zinc/64/17/04/426641704.db2.gz NCKROBOADLPMAB-UHFFFAOYSA-N 2 1 307.457 2.720 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@@H]21 ZINC000230047101 426641816 /nfs/dbraw/zinc/64/18/16/426641816.db2.gz KDPNETIEHZOITE-FPMFFAJLSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@@H]21 ZINC000230047101 426641820 /nfs/dbraw/zinc/64/18/20/426641820.db2.gz KDPNETIEHZOITE-FPMFFAJLSA-N 2 1 303.431 2.962 20 0 DFADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)CC1CC[NH2+]CC1 ZINC000237008290 426686703 /nfs/dbraw/zinc/68/67/03/426686703.db2.gz VHODDHIHYNEFEB-UHFFFAOYSA-N 2 1 303.450 2.563 20 0 DFADMP Cc1oc2ccccc2c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289404768 426649614 /nfs/dbraw/zinc/64/96/14/426649614.db2.gz GZCHCCZRQBMXFY-UHFFFAOYSA-N 2 1 315.461 2.811 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3occc3c2)CC1 ZINC000289449144 426659571 /nfs/dbraw/zinc/65/95/71/426659571.db2.gz XCPPMIFMZWHEHS-OAHLLOKOSA-N 2 1 316.445 2.957 20 0 DFADMP COCCC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000178620326 426665600 /nfs/dbraw/zinc/66/56/00/426665600.db2.gz NCHZDSKSJVSJHL-HKUYNNGSSA-N 2 1 304.478 2.956 20 0 DFADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289486877 426668576 /nfs/dbraw/zinc/66/85/76/426668576.db2.gz YOHSEAMOXSNWAF-JLSDUUJJSA-N 2 1 323.431 2.784 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1([NH3+])CCCCC1 ZINC000236654253 426671730 /nfs/dbraw/zinc/67/17/30/426671730.db2.gz GITMBUDDBGMPGK-UHFFFAOYSA-N 2 1 317.477 2.805 20 0 DFADMP C[NH2+]CCCC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000178689810 426677295 /nfs/dbraw/zinc/67/72/95/426677295.db2.gz UPZYYLVDCVWGPB-OAHLLOKOSA-N 2 1 303.450 2.999 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000236709980 426678004 /nfs/dbraw/zinc/67/80/04/426678004.db2.gz LNDREFZMHCSKHC-UHFFFAOYSA-N 2 1 317.477 2.729 20 0 DFADMP CC(C)[C@@H](C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)N1CC[NH+](C)CC1 ZINC000236704313 426679282 /nfs/dbraw/zinc/67/92/82/426679282.db2.gz KRIKIKXQJKPKDS-RYQLBKOJSA-N 2 1 319.493 2.765 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@H]3CC)c2C1 ZINC000290062964 426684426 /nfs/dbraw/zinc/68/44/26/426684426.db2.gz UTQAFGZUPHXFFZ-HOCLYGCPSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@H]3CC)c2C1 ZINC000290062964 426684431 /nfs/dbraw/zinc/68/44/31/426684431.db2.gz UTQAFGZUPHXFFZ-HOCLYGCPSA-N 2 1 301.434 2.739 20 0 DFADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000187050489 426624197 /nfs/dbraw/zinc/62/41/97/426624197.db2.gz CSOYMMWVOLCHGF-LJQANCHMSA-N 2 1 304.478 2.690 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000178410804 426624640 /nfs/dbraw/zinc/62/46/40/426624640.db2.gz YZHUGKKNUDCABR-QVKFZJNVSA-N 2 1 308.491 2.951 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000265793156 426690337 /nfs/dbraw/zinc/69/03/37/426690337.db2.gz MQILUPKADCPBIL-INIZCTEOSA-N 2 1 312.461 2.534 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237439290 426690816 /nfs/dbraw/zinc/69/08/16/426690816.db2.gz SYCSQSIQBXWUIU-DJIMGWMZSA-N 2 1 317.477 2.529 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)[C@@H]1c1cccs1 ZINC000237123235 426689197 /nfs/dbraw/zinc/68/91/97/426689197.db2.gz APHFMKODIRFGNK-UKRRQHHQSA-N 2 1 321.490 2.519 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178845963 426707178 /nfs/dbraw/zinc/70/71/78/426707178.db2.gz QPJXHIGEFNLIFO-IGCXYCKISA-N 2 1 314.433 2.731 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](COC)C2CCOCC2)c1 ZINC000187961889 426709660 /nfs/dbraw/zinc/70/96/60/426709660.db2.gz BTGBBBSFTZEMTC-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP Cn1cncc1CC[N@H+]1CCc2cc(Br)ccc2C1 ZINC000290095696 426692002 /nfs/dbraw/zinc/69/20/02/426692002.db2.gz RNWCJYHUMYKPEB-UHFFFAOYSA-N 2 1 320.234 2.783 20 0 DFADMP Cn1cncc1CCN1CCc2cc(Br)ccc2C1 ZINC000290095696 426692007 /nfs/dbraw/zinc/69/20/07/426692007.db2.gz RNWCJYHUMYKPEB-UHFFFAOYSA-N 2 1 320.234 2.783 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000188809270 426790033 /nfs/dbraw/zinc/79/00/33/426790033.db2.gz RRXDODXMXCMHHQ-AWEZNQCLSA-N 2 1 310.404 2.744 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000290530990 426784445 /nfs/dbraw/zinc/78/44/45/426784445.db2.gz QRYNTBJRLPKEIA-KRWDZBQOSA-N 2 1 312.461 2.737 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CCC([N@@H+](C)CCO)CC1 ZINC000274188303 426723872 /nfs/dbraw/zinc/72/38/72/426723872.db2.gz QIEAWRDQWISQNE-UHFFFAOYSA-N 2 1 313.445 2.745 20 0 DFADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)OCCO2 ZINC000178955822 426725452 /nfs/dbraw/zinc/72/54/52/426725452.db2.gz RJIRJIIVMCHQAZ-MRXNPFEDSA-N 2 1 302.418 2.594 20 0 DFADMP Fc1cccc(C[N@@H+](C[C@@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178968695 426727578 /nfs/dbraw/zinc/72/75/78/426727578.db2.gz OBTWPSGEVBMLRQ-SFHVURJKSA-N 2 1 306.425 2.806 20 0 DFADMP O=C(c1ccc(F)cc1)[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974671 426729224 /nfs/dbraw/zinc/72/92/24/426729224.db2.gz PTKGIGJXNCVWGS-INIZCTEOSA-N 2 1 304.409 2.720 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000178980007 426729894 /nfs/dbraw/zinc/72/98/94/426729894.db2.gz WRVCGXDCWQEOOS-UHFFFAOYSA-N 3 1 315.505 2.830 20 0 DFADMP O[C@@H](CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000290293445 426734323 /nfs/dbraw/zinc/73/43/23/426734323.db2.gz NADPJOALKYYBRG-MJGOQNOKSA-N 2 1 302.462 2.918 20 0 DFADMP C[N@H+](CCc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283388 426737748 /nfs/dbraw/zinc/73/77/48/426737748.db2.gz LYIJHWNIPRDVFC-OAQYLSRUSA-N 2 1 324.468 2.798 20 0 DFADMP C[N@@H+](CCc1ccccc1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188283388 426737753 /nfs/dbraw/zinc/73/77/53/426737753.db2.gz LYIJHWNIPRDVFC-OAQYLSRUSA-N 2 1 324.468 2.798 20 0 DFADMP C[NH+](CCc1ccccc1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188283388 426737757 /nfs/dbraw/zinc/73/77/57/426737757.db2.gz LYIJHWNIPRDVFC-OAQYLSRUSA-N 2 1 324.468 2.798 20 0 DFADMP C[NH+](CCc1ccccc1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188283388 426737761 /nfs/dbraw/zinc/73/77/61/426737761.db2.gz LYIJHWNIPRDVFC-OAQYLSRUSA-N 2 1 324.468 2.798 20 0 DFADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3cncc(F)c3)CC2)C[C@H](C)O1 ZINC000274329286 426744436 /nfs/dbraw/zinc/74/44/36/426744436.db2.gz FKBJNTLKAAZZIQ-GJZGRUSLSA-N 2 1 321.440 2.542 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1cc(F)ccc1F ZINC000266611350 426748981 /nfs/dbraw/zinc/74/89/81/426748981.db2.gz WPOWTERVGHPWKD-WMLDXEAASA-N 2 1 312.404 2.804 20 0 DFADMP CCOC(=O)[C@@H](CC)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266619380 426751069 /nfs/dbraw/zinc/75/10/69/426751069.db2.gz KRMXXSMQHQYGDU-QZTJIDSGSA-N 2 1 318.461 2.782 20 0 DFADMP CC[NH+]1CCN(c2ccccc2N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245563358 426752695 /nfs/dbraw/zinc/75/26/95/426752695.db2.gz MQAYSUHLVBBMDU-DLBZAZTESA-N 2 1 316.493 2.723 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CCO2 ZINC000274390861 426758583 /nfs/dbraw/zinc/75/85/83/426758583.db2.gz OKPDPJKLDZWTNO-UTJXIGIESA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CCO2 ZINC000274390861 426758588 /nfs/dbraw/zinc/75/85/88/426758588.db2.gz OKPDPJKLDZWTNO-UTJXIGIESA-N 2 1 304.434 2.837 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188515237 426759067 /nfs/dbraw/zinc/75/90/67/426759067.db2.gz JDRIIXPNAIYKJF-VNHYZAJKSA-N 2 1 321.431 2.579 20 0 DFADMP CC(C)n1ccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000179176140 426764318 /nfs/dbraw/zinc/76/43/18/426764318.db2.gz VHJHETFZAQEUPY-CRAIPNDOSA-N 2 1 302.466 2.913 20 0 DFADMP CC(C)n1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000179528720 426799098 /nfs/dbraw/zinc/79/90/98/426799098.db2.gz HTMUNJVIBFEVLK-UHFFFAOYSA-N 2 1 301.438 2.652 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000179605798 426804136 /nfs/dbraw/zinc/80/41/36/426804136.db2.gz VJBXNCWQJJSRAZ-MRXNPFEDSA-N 2 1 309.498 2.535 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000179605798 426804143 /nfs/dbraw/zinc/80/41/43/426804143.db2.gz VJBXNCWQJJSRAZ-MRXNPFEDSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246281751 426815956 /nfs/dbraw/zinc/81/59/56/426815956.db2.gz MPJJFOHGHCTSPS-TWMKSMIVSA-N 2 1 321.509 2.534 20 0 DFADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000290679905 426817872 /nfs/dbraw/zinc/81/78/72/426817872.db2.gz HRXFRWYECGELJL-MVJTYMMSSA-N 2 1 317.477 2.524 20 0 DFADMP COc1ccc(C[C@@H](C)C[NH2+]CCn2cc[nH+]c2C)cc1F ZINC000274690576 426818765 /nfs/dbraw/zinc/81/87/65/426818765.db2.gz UURGLGGKHNZHEE-CYBMUJFWSA-N 2 1 305.397 2.808 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](O)C[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000282049824 426819693 /nfs/dbraw/zinc/81/96/93/426819693.db2.gz GJNRBPBWEAKFKU-MJGOQNOKSA-N 2 1 318.461 2.679 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](O)C[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000282049824 426819700 /nfs/dbraw/zinc/81/97/00/426819700.db2.gz GJNRBPBWEAKFKU-MJGOQNOKSA-N 2 1 318.461 2.679 20 0 DFADMP CC(C)(O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000274759829 426831420 /nfs/dbraw/zinc/83/14/20/426831420.db2.gz DFYIYGGFXMCYEK-RCCFBDPRSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1(C)C ZINC000282141649 426837327 /nfs/dbraw/zinc/83/73/27/426837327.db2.gz CCCMWIWUFJMWMQ-MOPGFXCFSA-N 2 1 315.505 2.938 20 0 DFADMP CSC1(C[NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CCC1 ZINC000290785005 426838636 /nfs/dbraw/zinc/83/86/36/426838636.db2.gz COVSOPRRFVFQEL-UHFFFAOYSA-N 2 1 302.447 2.951 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cncnc2)CC1 ZINC000180182300 426840145 /nfs/dbraw/zinc/84/01/45/426840145.db2.gz FECVWPHHDKYCCT-MRXNPFEDSA-N 2 1 302.466 2.953 20 0 DFADMP Cc1ccccc1C[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282210468 426854599 /nfs/dbraw/zinc/85/45/99/426854599.db2.gz DHKYXWHKLVHHJN-KRWDZBQOSA-N 2 1 303.494 2.542 20 0 DFADMP CCn1nc(C[N@@H+](C)CC2CC[NH+](C)CC2)c2ccccc21 ZINC000274550650 426791173 /nfs/dbraw/zinc/79/11/73/426791173.db2.gz IMUZDGYHRMAOJP-UHFFFAOYSA-N 2 1 300.450 2.830 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000188809253 426791231 /nfs/dbraw/zinc/79/12/31/426791231.db2.gz RRXDODXMXCMHHQ-CQSZACIVSA-N 2 1 310.404 2.744 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282277079 426870130 /nfs/dbraw/zinc/87/01/30/426870130.db2.gz KUVQSXOVFDPCHR-MRXNPFEDSA-N 2 1 321.484 2.762 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000246905481 426877795 /nfs/dbraw/zinc/87/77/95/426877795.db2.gz FPNMRPBZGPCWFT-PNBKFKSVSA-N 2 1 321.534 2.813 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC[N@H+]1C ZINC000180725619 426881109 /nfs/dbraw/zinc/88/11/09/426881109.db2.gz FNMGJHSXYQNPNJ-UMVBOHGHSA-N 2 1 321.852 2.518 20 0 DFADMP C[C@@H](NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275626340 426883350 /nfs/dbraw/zinc/88/33/50/426883350.db2.gz AMDSKGAELZNUAF-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275626340 426883357 /nfs/dbraw/zinc/88/33/57/426883357.db2.gz AMDSKGAELZNUAF-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275626340 426883359 /nfs/dbraw/zinc/88/33/59/426883359.db2.gz AMDSKGAELZNUAF-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000305130331 426885573 /nfs/dbraw/zinc/88/55/73/426885573.db2.gz MQUFFCYQBHALJA-HOCLYGCPSA-N 2 1 308.491 2.808 20 0 DFADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000247000252 426888920 /nfs/dbraw/zinc/88/89/20/426888920.db2.gz LNBXDCRPFTYRJH-YCPHGPKFSA-N 2 1 307.507 2.567 20 0 DFADMP C[C@H]1C[C@H](NCc2ccc(OC(C)(C)C)nc2)C[N@@H+]1C1CC1 ZINC000180891138 426896590 /nfs/dbraw/zinc/89/65/90/426896590.db2.gz RPTZUZDYKVERAP-ZFWWWQNUSA-N 2 1 303.450 2.974 20 0 DFADMP C[C@H]1C[C@H](NCc2ccc(OC(C)(C)C)nc2)C[N@H+]1C1CC1 ZINC000180891138 426896597 /nfs/dbraw/zinc/89/65/97/426896597.db2.gz RPTZUZDYKVERAP-ZFWWWQNUSA-N 2 1 303.450 2.974 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+](CCCCCOc2ccccc2)CC1 ZINC000275697081 426900185 /nfs/dbraw/zinc/90/01/85/426900185.db2.gz JXIPAMNXBNVILB-UHFFFAOYSA-N 2 1 320.477 2.624 20 0 DFADMP Clc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000337648111 426900674 /nfs/dbraw/zinc/90/06/74/426900674.db2.gz YZQZTBOIUCNSHE-UONOGXRCSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000337648111 426900681 /nfs/dbraw/zinc/90/06/81/426900681.db2.gz YZQZTBOIUCNSHE-UONOGXRCSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000337648111 426900686 /nfs/dbraw/zinc/90/06/86/426900686.db2.gz YZQZTBOIUCNSHE-UONOGXRCSA-N 2 1 322.836 2.828 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000247125050 426906894 /nfs/dbraw/zinc/90/68/94/426906894.db2.gz ODEPZAKIJKWOGH-HKUYNNGSSA-N 2 1 301.478 2.502 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000282415087 426907150 /nfs/dbraw/zinc/90/71/50/426907150.db2.gz SIEFTEPXXFIQCR-SFHVURJKSA-N 2 1 301.478 2.598 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000247139824 426907362 /nfs/dbraw/zinc/90/73/62/426907362.db2.gz QTIYVGYNRMSCCF-GNVJSZRZSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000247139824 426907366 /nfs/dbraw/zinc/90/73/66/426907366.db2.gz QTIYVGYNRMSCCF-GNVJSZRZSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000247139824 426907372 /nfs/dbraw/zinc/90/73/72/426907372.db2.gz QTIYVGYNRMSCCF-GNVJSZRZSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139824 426907375 /nfs/dbraw/zinc/90/73/75/426907375.db2.gz QTIYVGYNRMSCCF-GNVJSZRZSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139824 426907380 /nfs/dbraw/zinc/90/73/80/426907380.db2.gz QTIYVGYNRMSCCF-GNVJSZRZSA-N 2 1 315.505 2.968 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1F ZINC000275733549 426907711 /nfs/dbraw/zinc/90/77/11/426907711.db2.gz PDEXSHFAEQLBCQ-GOEBONIOSA-N 2 1 308.441 2.896 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C(C)(C)C)n1 ZINC000317113018 426955469 /nfs/dbraw/zinc/95/54/69/426955469.db2.gz LFCQSBJRJAAFOL-ZBFHGGJFSA-N 2 1 304.482 2.682 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C(C)(C)C)n1 ZINC000317113018 426955477 /nfs/dbraw/zinc/95/54/77/426955477.db2.gz LFCQSBJRJAAFOL-ZBFHGGJFSA-N 2 1 304.482 2.682 20 0 DFADMP Cn1c(C[NH+]2CCC(CCC[NH+](C)C)CC2)nnc1C1CCC1 ZINC000181527962 426958727 /nfs/dbraw/zinc/95/87/27/426958727.db2.gz YPGBRICTPVWMAE-UHFFFAOYSA-N 2 1 319.497 2.636 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291707658 426958667 /nfs/dbraw/zinc/95/86/67/426958667.db2.gz KYWRBYUJPMBTNT-CQSZACIVSA-N 2 1 300.450 2.776 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(C)C ZINC000181540690 426960585 /nfs/dbraw/zinc/96/05/85/426960585.db2.gz JJJMSBOIVJNVCQ-CVEARBPZSA-N 2 1 314.433 2.869 20 0 DFADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)c(OC(F)F)c1 ZINC000291712393 426961320 /nfs/dbraw/zinc/96/13/20/426961320.db2.gz LNTYTLOMXSZMHM-NSHDSACASA-N 2 1 302.365 2.584 20 0 DFADMP CC[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961270 426969127 /nfs/dbraw/zinc/96/91/27/426969127.db2.gz GGAICTPKPXLIFT-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247961270 426969133 /nfs/dbraw/zinc/96/91/33/426969133.db2.gz GGAICTPKPXLIFT-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247961270 426969141 /nfs/dbraw/zinc/96/91/41/426969141.db2.gz GGAICTPKPXLIFT-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C[NH+](C)C ZINC000291769622 426980264 /nfs/dbraw/zinc/98/02/64/426980264.db2.gz SSMQKUXXAOJSND-LBPRGKRZSA-N 2 1 312.841 2.789 20 0 DFADMP C[C@H](C[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C[NH+](C)C ZINC000291769620 426981621 /nfs/dbraw/zinc/98/16/21/426981621.db2.gz SSMQKUXXAOJSND-GFCCVEGCSA-N 2 1 312.841 2.789 20 0 DFADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1OC ZINC000248170997 426986623 /nfs/dbraw/zinc/98/66/23/426986623.db2.gz UTEPIKAEUXUOKU-FUHWJXTLSA-N 2 1 320.477 2.973 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000314587246 426929937 /nfs/dbraw/zinc/92/99/37/426929937.db2.gz DTAUIBKZRRIWLM-MCIONIFRSA-N 2 1 308.388 2.950 20 0 DFADMP C[NH+]1CCN(C(=O)c2ccc(C[NH2+]CCC(C)(C)C)cc2)CC1 ZINC000275842977 426930811 /nfs/dbraw/zinc/93/08/11/426930811.db2.gz UZVYKAHFBBDTDI-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP CC[C@](C)(O)C[N@@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000189723706 426933258 /nfs/dbraw/zinc/93/32/58/426933258.db2.gz YOBFRKBZRKHQFO-SFHVURJKSA-N 2 1 301.434 2.936 20 0 DFADMP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247428855 426937064 /nfs/dbraw/zinc/93/70/64/426937064.db2.gz VYIXLFCFBHWIPW-JKSUJKDBSA-N 2 1 319.449 2.856 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616244 427020631 /nfs/dbraw/zinc/02/06/31/427020631.db2.gz ZATOPHKBJRLVEA-FZKCQIBNSA-N 2 1 309.498 2.532 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248616244 427020639 /nfs/dbraw/zinc/02/06/39/427020639.db2.gz ZATOPHKBJRLVEA-FZKCQIBNSA-N 2 1 309.498 2.532 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C(C2CC2)C2CC2)C1 ZINC000182269627 427044790 /nfs/dbraw/zinc/04/47/90/427044790.db2.gz FOVDXDFSMGYFQB-SFHVURJKSA-N 2 1 300.446 2.531 20 0 DFADMP CCC[C@@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000337948140 427052802 /nfs/dbraw/zinc/05/28/02/427052802.db2.gz KVUJEGXKRSHIJL-XHSDSOJGSA-N 2 1 311.514 2.589 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000337999404 427085842 /nfs/dbraw/zinc/08/58/42/427085842.db2.gz OYZASOAZHVAKLG-ZCNNSNEGSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000337999404 427085848 /nfs/dbraw/zinc/08/58/48/427085848.db2.gz OYZASOAZHVAKLG-ZCNNSNEGSA-N 2 1 314.473 2.792 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000338009640 427090691 /nfs/dbraw/zinc/09/06/91/427090691.db2.gz FDYGWHOSNBYDCM-UHFFFAOYSA-N 2 1 318.387 2.588 20 0 DFADMP CC[NH+](CC)CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268694526 427092742 /nfs/dbraw/zinc/09/27/42/427092742.db2.gz BDQUXYLAHRJRHF-MRXNPFEDSA-N 2 1 307.482 2.619 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000283906168 427096073 /nfs/dbraw/zinc/09/60/73/427096073.db2.gz JPARRJJJKHBHDW-BHIYHBOVSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000283906168 427096080 /nfs/dbraw/zinc/09/60/80/427096080.db2.gz JPARRJJJKHBHDW-BHIYHBOVSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000283906168 427096085 /nfs/dbraw/zinc/09/60/85/427096085.db2.gz JPARRJJJKHBHDW-BHIYHBOVSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000283906168 427096091 /nfs/dbraw/zinc/09/60/91/427096091.db2.gz JPARRJJJKHBHDW-BHIYHBOVSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000283906168 427096094 /nfs/dbraw/zinc/09/60/94/427096094.db2.gz JPARRJJJKHBHDW-BHIYHBOVSA-N 2 1 304.478 2.988 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268704375 427097154 /nfs/dbraw/zinc/09/71/54/427097154.db2.gz AXWJUHJRMZHRHS-PKOBYXMFSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268704375 427097160 /nfs/dbraw/zinc/09/71/60/427097160.db2.gz AXWJUHJRMZHRHS-PKOBYXMFSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000296169095 427097193 /nfs/dbraw/zinc/09/71/93/427097193.db2.gz XCHWXPLTLIILAL-CQSZACIVSA-N 2 1 301.434 2.881 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338021649 427097518 /nfs/dbraw/zinc/09/75/18/427097518.db2.gz XHHGNJWWQJDHKJ-NEWSRXKRSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338021649 427097525 /nfs/dbraw/zinc/09/75/25/427097525.db2.gz XHHGNJWWQJDHKJ-NEWSRXKRSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338021649 427097532 /nfs/dbraw/zinc/09/75/32/427097532.db2.gz XHHGNJWWQJDHKJ-NEWSRXKRSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338021649 427097539 /nfs/dbraw/zinc/09/75/39/427097539.db2.gz XHHGNJWWQJDHKJ-NEWSRXKRSA-N 2 1 315.505 2.827 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)CCc1ccccc1 ZINC000182555323 427099775 /nfs/dbraw/zinc/09/97/75/427099775.db2.gz BWKPMHJFBOKOKT-GOSISDBHSA-N 2 1 301.434 2.507 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)CCc1ccccc1 ZINC000182555323 427099782 /nfs/dbraw/zinc/09/97/82/427099782.db2.gz BWKPMHJFBOKOKT-GOSISDBHSA-N 2 1 301.434 2.507 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000249378405 427108506 /nfs/dbraw/zinc/10/85/06/427108506.db2.gz NTMWTVNGMUTSCV-KGLIPLIRSA-N 2 1 322.449 2.705 20 0 DFADMP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000268767800 427108469 /nfs/dbraw/zinc/10/84/69/427108469.db2.gz KGFDHEAQMWXIPI-VQTJNVASSA-N 2 1 313.489 2.867 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)C=Cc2c[nH]cn2)CC[N@H+]1Cc1ccccc1 ZINC000276594454 427109275 /nfs/dbraw/zinc/10/92/75/427109275.db2.gz NKKWFKAWVSVYMU-FKDHNMLASA-N 2 1 324.428 2.592 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000268777638 427113251 /nfs/dbraw/zinc/11/32/51/427113251.db2.gz SDWDGHDVXPLDFU-HNNXBMFYSA-N 2 1 301.438 2.648 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000268797048 427117926 /nfs/dbraw/zinc/11/79/26/427117926.db2.gz WXSPCBKHZVRBJQ-NVXWUHKLSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)CC[N@H+]1C ZINC000268797048 427117932 /nfs/dbraw/zinc/11/79/32/427117932.db2.gz WXSPCBKHZVRBJQ-NVXWUHKLSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+]1C ZINC000268795467 427119863 /nfs/dbraw/zinc/11/98/63/427119863.db2.gz HUCGMDJAFBCCKP-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000268795467 427119874 /nfs/dbraw/zinc/11/98/74/427119874.db2.gz HUCGMDJAFBCCKP-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000268795467 427119879 /nfs/dbraw/zinc/11/98/79/427119879.db2.gz HUCGMDJAFBCCKP-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000268795467 427119884 /nfs/dbraw/zinc/11/98/84/427119884.db2.gz HUCGMDJAFBCCKP-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2cccc3F)CC1 ZINC000268806944 427122409 /nfs/dbraw/zinc/12/24/09/427122409.db2.gz JJORCPZLSBTCII-IBGZPJMESA-N 2 1 319.468 2.820 20 0 DFADMP Cc1noc(C2CCC([NH2+]C[C@@H](C)Cn3cc[nH+]c3C)CC2)n1 ZINC000292195346 427126924 /nfs/dbraw/zinc/12/69/24/427126924.db2.gz PFUXHXJDEJDLJC-UWTIGNOOSA-N 2 1 317.437 2.835 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292208762 427132509 /nfs/dbraw/zinc/13/25/09/427132509.db2.gz TUWFZEQUNGZUIS-KDOFPFPSSA-N 2 1 312.417 2.825 20 0 DFADMP CCc1nnc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)n1C ZINC000182759083 427141669 /nfs/dbraw/zinc/14/16/69/427141669.db2.gz IIZYIENZNGXIEV-UHFFFAOYSA-N 2 1 321.513 2.712 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)[nH+]1 ZINC000249921346 427149918 /nfs/dbraw/zinc/14/99/18/427149918.db2.gz YTVATWMJOFSPSU-SJLPKXTDSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)[nH+]1 ZINC000249921346 427149921 /nfs/dbraw/zinc/14/99/21/427149921.db2.gz YTVATWMJOFSPSU-SJLPKXTDSA-N 2 1 311.429 2.857 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)O1 ZINC000296264850 427130306 /nfs/dbraw/zinc/13/03/06/427130306.db2.gz DKXSWEXKVKULTG-MDZRGWNJSA-N 2 1 302.462 2.849 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)C(=O)N2C[C@H](C)C[C@H](C)C2)C1 ZINC000174951203 271142659 /nfs/dbraw/zinc/14/26/59/271142659.db2.gz GLWWYQCHARLBQY-MHORFTMASA-N 2 1 323.525 2.543 20 0 DFADMP Cc1ccccc1CCC[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000175905437 271160330 /nfs/dbraw/zinc/16/03/30/271160330.db2.gz CGJLHQUUKHTLDA-SFHVURJKSA-N 2 1 318.505 2.952 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000246859830 271261623 /nfs/dbraw/zinc/26/16/23/271261623.db2.gz FNUFIDOCCURUKA-DZGCQCFKSA-N 2 1 322.449 2.532 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000246859830 271261626 /nfs/dbraw/zinc/26/16/26/271261626.db2.gz FNUFIDOCCURUKA-DZGCQCFKSA-N 2 1 322.449 2.532 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000284472480 271338876 /nfs/dbraw/zinc/33/88/76/271338876.db2.gz UKHUXFZXGBCLJA-BEFAXECRSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000284472480 271338879 /nfs/dbraw/zinc/33/88/79/271338879.db2.gz UKHUXFZXGBCLJA-BEFAXECRSA-N 2 1 312.461 2.729 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@@H]2C)cc1 ZINC000338174277 427171546 /nfs/dbraw/zinc/17/15/46/427171546.db2.gz DWQUNKVKJFDNDG-CVEARBPZSA-N 2 1 317.477 2.693 20 0 DFADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 ZINC000333458619 271375978 /nfs/dbraw/zinc/37/59/78/271375978.db2.gz UADFJHVWVMBAMY-ZIAGYGMSSA-N 2 1 316.405 2.658 20 0 DFADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 ZINC000333458619 271375980 /nfs/dbraw/zinc/37/59/80/271375980.db2.gz UADFJHVWVMBAMY-ZIAGYGMSSA-N 2 1 316.405 2.658 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183174649 427217352 /nfs/dbraw/zinc/21/73/52/427217352.db2.gz YWORHWFGJMLSMF-QLFBSQMISA-N 2 1 313.486 2.610 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000284288263 427174852 /nfs/dbraw/zinc/17/48/52/427174852.db2.gz KEJWABMJDHBQJH-BZSNNMDCSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000284288263 427174860 /nfs/dbraw/zinc/17/48/60/427174860.db2.gz KEJWABMJDHBQJH-BZSNNMDCSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000284318902 427181040 /nfs/dbraw/zinc/18/10/40/427181040.db2.gz POQDRDGQBQGDQR-RBUKOAKNSA-N 2 1 301.478 2.897 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000253351278 427199682 /nfs/dbraw/zinc/19/96/82/427199682.db2.gz IYRIMFFUHZMMKF-RNQOJCNYSA-N 2 1 316.489 2.833 20 0 DFADMP CS[C@@H]1CCN(C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000296507977 427203267 /nfs/dbraw/zinc/20/32/67/427203267.db2.gz ZPZMQYCIBHNVTK-ZWKOTPCHSA-N 2 1 320.502 2.715 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000292916571 427203578 /nfs/dbraw/zinc/20/35/78/427203578.db2.gz HXNWUTYEXBGAPC-IBGZPJMESA-N 2 1 310.445 2.856 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292916571 427203585 /nfs/dbraw/zinc/20/35/85/427203585.db2.gz HXNWUTYEXBGAPC-IBGZPJMESA-N 2 1 310.445 2.856 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292916571 427203589 /nfs/dbraw/zinc/20/35/89/427203589.db2.gz HXNWUTYEXBGAPC-IBGZPJMESA-N 2 1 310.445 2.856 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292916571 427203595 /nfs/dbraw/zinc/20/35/95/427203595.db2.gz HXNWUTYEXBGAPC-IBGZPJMESA-N 2 1 310.445 2.856 20 0 DFADMP COCCC[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125234 427203755 /nfs/dbraw/zinc/20/37/55/427203755.db2.gz MGILUHUJROSGMX-QYZOEREBSA-N 2 1 302.462 2.913 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292978612 427210804 /nfs/dbraw/zinc/21/08/04/427210804.db2.gz MWQYAHAWEJHEFC-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292978612 427210810 /nfs/dbraw/zinc/21/08/10/427210810.db2.gz MWQYAHAWEJHEFC-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292978612 427210815 /nfs/dbraw/zinc/21/08/15/427210815.db2.gz MWQYAHAWEJHEFC-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292978612 427210824 /nfs/dbraw/zinc/21/08/24/427210824.db2.gz MWQYAHAWEJHEFC-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CC1=CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000285423673 427227528 /nfs/dbraw/zinc/22/75/28/427227528.db2.gz YHHVKGYZLBYCRP-RTBURBONSA-N 2 1 300.446 2.842 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSC(C)C)[C@H](C)C1 ZINC000338287228 427235555 /nfs/dbraw/zinc/23/55/55/427235555.db2.gz HLOUWIYDPPZCRY-HZPDHXFCSA-N 2 1 302.528 2.855 20 0 DFADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000277539996 427236119 /nfs/dbraw/zinc/23/61/19/427236119.db2.gz BEQKPPFLNPEMSN-QGZVFWFLSA-N 2 1 324.428 2.919 20 0 DFADMP CN1CCC[C@@H]1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000277539996 427236123 /nfs/dbraw/zinc/23/61/23/427236123.db2.gz BEQKPPFLNPEMSN-QGZVFWFLSA-N 2 1 324.428 2.919 20 0 DFADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000296843701 427246137 /nfs/dbraw/zinc/24/61/37/427246137.db2.gz KBCUBOBQYOVKII-DZGCQCFKSA-N 2 1 315.421 2.589 20 0 DFADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000296843701 427246140 /nfs/dbraw/zinc/24/61/40/427246140.db2.gz KBCUBOBQYOVKII-DZGCQCFKSA-N 2 1 315.421 2.589 20 0 DFADMP C[C@@H](c1ccncc1)[NH+]1CCC(Nc2[nH+]cnc3[nH]ccc32)CC1 ZINC000269683509 427250497 /nfs/dbraw/zinc/25/04/97/427250497.db2.gz IRQFCHYSXKSUSV-ZDUSSCGKSA-N 2 1 322.416 2.990 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc3cc[nH]c32)CCCO1 ZINC000277646328 427271348 /nfs/dbraw/zinc/27/13/48/427271348.db2.gz DGSJYUWZZQHFRH-OAHLLOKOSA-N 2 1 301.434 2.758 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285568028 427276180 /nfs/dbraw/zinc/27/61/80/427276180.db2.gz SEEPWUWCGMKWMJ-DVJFUJMWSA-N 2 1 308.853 2.930 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285568028 427276186 /nfs/dbraw/zinc/27/61/86/427276186.db2.gz SEEPWUWCGMKWMJ-DVJFUJMWSA-N 2 1 308.853 2.930 20 0 DFADMP C[NH+](C[C@@H](O)c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285568028 427276193 /nfs/dbraw/zinc/27/61/93/427276193.db2.gz SEEPWUWCGMKWMJ-DVJFUJMWSA-N 2 1 308.853 2.930 20 0 DFADMP C[NH+](C[C@@H](O)c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285568028 427276198 /nfs/dbraw/zinc/27/61/98/427276198.db2.gz SEEPWUWCGMKWMJ-DVJFUJMWSA-N 2 1 308.853 2.930 20 0 DFADMP CC(C)[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293363411 427300122 /nfs/dbraw/zinc/30/01/22/427300122.db2.gz ONLWHPSZOBVGRS-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293363411 427300126 /nfs/dbraw/zinc/30/01/26/427300126.db2.gz ONLWHPSZOBVGRS-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293363411 427300134 /nfs/dbraw/zinc/30/01/34/427300134.db2.gz ONLWHPSZOBVGRS-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP Cc1cc(NC(=O)N[C@@H](C)C[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000297028267 427309524 /nfs/dbraw/zinc/30/95/24/427309524.db2.gz QVXLQYIRKPLTJV-AWEZNQCLSA-N 2 1 315.421 2.639 20 0 DFADMP CCOC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685195 427318650 /nfs/dbraw/zinc/31/86/50/427318650.db2.gz AZJBVKSVMCYNJK-CYBMUJFWSA-N 2 1 301.390 2.785 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H]2CCOC2=O)cc1 ZINC000183687021 427318817 /nfs/dbraw/zinc/31/88/17/427318817.db2.gz HROSSZGZIWMWHT-CJNGLKHVSA-N 2 1 313.401 2.785 20 0 DFADMP COC(=O)c1coc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1 ZINC000285717187 427318982 /nfs/dbraw/zinc/31/89/82/427318982.db2.gz PWPCFKHJTQMGFS-UHFFFAOYSA-N 2 1 320.389 2.613 20 0 DFADMP CC[C@@H]1CN(CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000183753341 427334552 /nfs/dbraw/zinc/33/45/52/427334552.db2.gz NYRYTNATYLBPKT-LJQANCHMSA-N 2 1 312.461 2.870 20 0 DFADMP CC[C@@H]1CN(CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000183753341 427334556 /nfs/dbraw/zinc/33/45/56/427334556.db2.gz NYRYTNATYLBPKT-LJQANCHMSA-N 2 1 312.461 2.870 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000285787222 427337149 /nfs/dbraw/zinc/33/71/49/427337149.db2.gz FEJBKBCQZBWSRQ-SJLPKXTDSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285787222 427337153 /nfs/dbraw/zinc/33/71/53/427337153.db2.gz FEJBKBCQZBWSRQ-SJLPKXTDSA-N 2 1 312.461 2.729 20 0 DFADMP CC[C@@H]1C[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000261702654 427338958 /nfs/dbraw/zinc/33/89/58/427338958.db2.gz JLPQFUOCOMQYIV-OWYHZJEWSA-N 2 1 302.462 2.866 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000261907579 427342722 /nfs/dbraw/zinc/34/27/22/427342722.db2.gz HEWGKWQTURGZSW-NVXWUHKLSA-N 2 1 317.477 2.703 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261985722 427346580 /nfs/dbraw/zinc/34/65/80/427346580.db2.gz SCOYXOXCWUMRRP-QRQLOZEOSA-N 2 1 314.473 2.773 20 0 DFADMP C[N@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1nccn1-c1ccccc1)C2 ZINC000191222005 427290098 /nfs/dbraw/zinc/29/00/98/427290098.db2.gz YJTMCGBSTNRUSB-ZNXRZULTSA-N 2 1 310.445 2.977 20 0 DFADMP C[N@@H+]1[C@@H]2CCC[C@H]1CC([NH2+]Cc1nccn1-c1ccccc1)C2 ZINC000191222005 427290104 /nfs/dbraw/zinc/29/01/04/427290104.db2.gz YJTMCGBSTNRUSB-ZNXRZULTSA-N 2 1 310.445 2.977 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000338549510 427373992 /nfs/dbraw/zinc/37/39/92/427373992.db2.gz RRQOQEFNCRZPPN-MOPGFXCFSA-N 2 1 320.477 2.807 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297259408 427375578 /nfs/dbraw/zinc/37/55/78/427375578.db2.gz JWICAZZTSRLHMV-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000297259408 427375583 /nfs/dbraw/zinc/37/55/83/427375583.db2.gz JWICAZZTSRLHMV-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)(CCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000293691006 427407620 /nfs/dbraw/zinc/40/76/20/427407620.db2.gz PBXXWEVSBICFPJ-KRWDZBQOSA-N 2 1 317.477 2.532 20 0 DFADMP C[N@H+]1CCC[C@]2(CCN(Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC000293704044 427410413 /nfs/dbraw/zinc/41/04/13/427410413.db2.gz RWAKFRRAIHSDJG-IBGZPJMESA-N 2 1 310.445 2.994 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC000293704044 427410435 /nfs/dbraw/zinc/41/04/35/427410435.db2.gz RWAKFRRAIHSDJG-IBGZPJMESA-N 2 1 310.445 2.994 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC000293704044 427410443 /nfs/dbraw/zinc/41/04/43/427410443.db2.gz RWAKFRRAIHSDJG-IBGZPJMESA-N 2 1 310.445 2.994 20 0 DFADMP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000271136651 427412766 /nfs/dbraw/zinc/41/27/66/427412766.db2.gz NGKDDQHGYAEKQR-YJBOKZPZSA-N 2 1 302.462 2.980 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]12 ZINC000262442193 427359857 /nfs/dbraw/zinc/35/98/57/427359857.db2.gz GYCQTOZLGFIWLY-GZBFAFLISA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]12 ZINC000262442193 427359862 /nfs/dbraw/zinc/35/98/62/427359862.db2.gz GYCQTOZLGFIWLY-GZBFAFLISA-N 2 1 322.836 2.670 20 0 DFADMP CCCn1cc[nH+]c1CCCN(C)Cc1ncc(Cl)n1C ZINC000191489041 427360738 /nfs/dbraw/zinc/36/07/38/427360738.db2.gz XODGESYXCRBJLB-UHFFFAOYSA-N 2 1 309.845 2.745 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000278863139 427482448 /nfs/dbraw/zinc/48/24/48/427482448.db2.gz BAPNFFWDFJWVFX-KBPBESRZSA-N 2 1 315.417 2.814 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184238670 427423371 /nfs/dbraw/zinc/42/33/71/427423371.db2.gz VAFMKNMKGUDGDC-MRXNPFEDSA-N 2 1 309.498 2.666 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N[C@H](C)C(C)C)CC1 ZINC000191779681 427423438 /nfs/dbraw/zinc/42/34/38/427423438.db2.gz CMSRDQPHFMFURE-MRXNPFEDSA-N 2 1 311.514 2.591 20 0 DFADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@@H]3O)cc2)c1 ZINC000263163808 427426037 /nfs/dbraw/zinc/42/60/37/427426037.db2.gz FAWOPCLUVVHCRS-PMACEKPBSA-N 2 1 310.441 2.640 20 0 DFADMP c1n[nH]cc1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000297714456 427435026 /nfs/dbraw/zinc/43/50/26/427435026.db2.gz RIGUVMOQVAXHMS-LJQANCHMSA-N 2 1 310.445 2.550 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000297714456 427435031 /nfs/dbraw/zinc/43/50/31/427435031.db2.gz RIGUVMOQVAXHMS-LJQANCHMSA-N 2 1 310.445 2.550 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278903431 427491761 /nfs/dbraw/zinc/49/17/61/427491761.db2.gz FZYXROXVKVLXKK-UKRRQHHQSA-N 2 1 312.417 2.755 20 0 DFADMP C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278930760 427505706 /nfs/dbraw/zinc/50/57/06/427505706.db2.gz LERCVDCGDRRSTO-JCHJZTRSSA-N 2 1 302.462 2.648 20 0 DFADMP CCc1nc(NCc2ccccc2OCC[NH+](C)C)cc(C)[nH+]1 ZINC000286365953 427506253 /nfs/dbraw/zinc/50/62/53/427506253.db2.gz RWHKLQJULYATRB-UHFFFAOYSA-N 2 1 314.433 2.900 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc([S@](C)=O)cc1 ZINC000278939547 427508342 /nfs/dbraw/zinc/50/83/42/427508342.db2.gz KBDQBDSCJIOXAQ-VVYDWRJNSA-N 2 1 317.458 2.534 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000286442474 427530088 /nfs/dbraw/zinc/53/00/88/427530088.db2.gz JKPYAVZBPXYRHR-WMZOPIPTSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000286442474 427530097 /nfs/dbraw/zinc/53/00/97/427530097.db2.gz JKPYAVZBPXYRHR-WMZOPIPTSA-N 2 1 312.461 2.729 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C2 ZINC000192441810 427539177 /nfs/dbraw/zinc/53/91/77/427539177.db2.gz AFPRCMNHVWFGNS-WMLDXEAASA-N 2 1 313.445 2.983 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C2 ZINC000192441812 427539290 /nfs/dbraw/zinc/53/92/90/427539290.db2.gz AFPRCMNHVWFGNS-RHSMWYFYSA-N 2 1 313.445 2.983 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000271479739 427555871 /nfs/dbraw/zinc/55/58/71/427555871.db2.gz IUXKNURTFXUUKC-LMSBXDPUSA-N 2 1 302.462 2.819 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286321247 427490465 /nfs/dbraw/zinc/49/04/65/427490465.db2.gz XOBDOBMQVOOGLY-ZDUSSCGKSA-N 2 1 317.433 2.541 20 0 DFADMP COCc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000339009585 427621912 /nfs/dbraw/zinc/62/19/12/427621912.db2.gz LXKQVYVRMQMUCX-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COCc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000339009585 427621920 /nfs/dbraw/zinc/62/19/20/427621920.db2.gz LXKQVYVRMQMUCX-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COCc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000339009585 427621926 /nfs/dbraw/zinc/62/19/26/427621926.db2.gz LXKQVYVRMQMUCX-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COCc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000339009585 427621933 /nfs/dbraw/zinc/62/19/33/427621933.db2.gz LXKQVYVRMQMUCX-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COCc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000339009585 427621940 /nfs/dbraw/zinc/62/19/40/427621940.db2.gz LXKQVYVRMQMUCX-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000287300475 427571679 /nfs/dbraw/zinc/57/16/79/427571679.db2.gz DNWFWXCXLPZEOE-NEPJUHHUSA-N 2 1 319.430 2.644 20 0 DFADMP C[C@H]1[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000287299047 427573162 /nfs/dbraw/zinc/57/31/62/427573162.db2.gz KOARJPAHBXECBJ-JFRXWTBNSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1[C@@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000287299047 427573169 /nfs/dbraw/zinc/57/31/69/427573169.db2.gz KOARJPAHBXECBJ-JFRXWTBNSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000287299047 427573182 /nfs/dbraw/zinc/57/31/82/427573182.db2.gz KOARJPAHBXECBJ-JFRXWTBNSA-N 2 1 301.478 2.722 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC1 ZINC000332317912 427578091 /nfs/dbraw/zinc/57/80/91/427578091.db2.gz QRZCYWBMKSFWGO-INIZCTEOSA-N 2 1 303.450 2.945 20 0 DFADMP CC(C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000192662368 427581902 /nfs/dbraw/zinc/58/19/02/427581902.db2.gz GPGVTENCEGIFBY-IPQPSQTFSA-N 3 1 307.526 2.958 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342116753 271947618 /nfs/dbraw/zinc/94/76/18/271947618.db2.gz YQGWKGQOOHVBEC-SYAUCNOPSA-N 2 1 312.417 2.857 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342116753 271947619 /nfs/dbraw/zinc/94/76/19/271947619.db2.gz YQGWKGQOOHVBEC-SYAUCNOPSA-N 2 1 312.417 2.857 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185309134 427631071 /nfs/dbraw/zinc/63/10/71/427631071.db2.gz NJHNSADWEJUFBN-KFZJALRRSA-N 2 1 310.869 2.866 20 0 DFADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923577 427636490 /nfs/dbraw/zinc/63/64/90/427636490.db2.gz DIBPOLFZFMLWJU-HKUYNNGSSA-N 2 1 312.461 2.773 20 0 DFADMP CC(C)[C@@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000192934795 427638868 /nfs/dbraw/zinc/63/88/68/427638868.db2.gz OICBIZRBJWTKMW-XVLXNVKGSA-N 2 1 302.462 2.789 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000287586816 427647498 /nfs/dbraw/zinc/64/74/98/427647498.db2.gz RJWLQEINJCKPNX-DOTOQJQBSA-N 2 1 306.450 2.674 20 0 DFADMP Cc1nocc1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000294758101 427653546 /nfs/dbraw/zinc/65/35/46/427653546.db2.gz RYECWTDUFDBXBX-OAHLLOKOSA-N 2 1 300.406 2.814 20 0 DFADMP Cc1nocc1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000294758101 427653551 /nfs/dbraw/zinc/65/35/51/427653551.db2.gz RYECWTDUFDBXBX-OAHLLOKOSA-N 2 1 300.406 2.814 20 0 DFADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000185444979 427654973 /nfs/dbraw/zinc/65/49/73/427654973.db2.gz IPNLSFOGODASTI-RDJZCZTQSA-N 2 1 307.507 2.911 20 0 DFADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000185444979 427654981 /nfs/dbraw/zinc/65/49/81/427654981.db2.gz IPNLSFOGODASTI-RDJZCZTQSA-N 2 1 307.507 2.911 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193086711 427663258 /nfs/dbraw/zinc/66/32/58/427663258.db2.gz FIKGGGJVYRHZAE-UHFFFAOYSA-N 2 1 315.914 2.765 20 0 DFADMP C[NH+](C/C=C/C[N@@H+](C)CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342583608 272027261 /nfs/dbraw/zinc/02/72/61/272027261.db2.gz ICZKVKTWPIGBTB-GEWVGOBGSA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+](C/C=C/C[N@H+](C)CC[C@@H]1CCCO1)CC[C@H]1CCCO1 ZINC000342583608 272027262 /nfs/dbraw/zinc/02/72/62/272027262.db2.gz ICZKVKTWPIGBTB-GEWVGOBGSA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+](C/C=C/C[N@@H+](C)CC[C@@H]1CCCO1)CC[C@H]1CCCO1 ZINC000342583608 272027263 /nfs/dbraw/zinc/02/72/63/272027263.db2.gz ICZKVKTWPIGBTB-GEWVGOBGSA-N 2 1 310.482 2.544 20 0 DFADMP Cc1ccccc1C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000342579547 272027843 /nfs/dbraw/zinc/02/78/43/272027843.db2.gz PJFYMZYZFAVXIN-HXUWFJFHSA-N 2 1 316.489 2.753 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000342860968 272064160 /nfs/dbraw/zinc/06/41/60/272064160.db2.gz SUQWKJGIXCMQMC-UHFFFAOYSA-N 2 1 307.438 2.635 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032840 272077732 /nfs/dbraw/zinc/07/77/32/272077732.db2.gz HVUSEOXCEOCTIT-QFBILLFUSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032840 272077733 /nfs/dbraw/zinc/07/77/33/272077733.db2.gz HVUSEOXCEOCTIT-QFBILLFUSA-N 2 1 301.478 2.712 20 0 DFADMP c1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000343265544 272108678 /nfs/dbraw/zinc/10/86/78/272108678.db2.gz DFEMTOZZOZTRRH-RCCFBDPRSA-N 2 1 320.502 2.916 20 0 DFADMP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2C)[C@@H]1c1ccccc1 ZINC000343320306 272117681 /nfs/dbraw/zinc/11/76/81/272117681.db2.gz LSJVNGGUWBRNOR-OALUTQOASA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2C)[C@@H]1c1ccccc1 ZINC000343320306 272117684 /nfs/dbraw/zinc/11/76/84/272117684.db2.gz LSJVNGGUWBRNOR-OALUTQOASA-N 2 1 311.429 2.686 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000343553480 272168387 /nfs/dbraw/zinc/16/83/87/272168387.db2.gz DUQMDPQQRAFTRJ-UHFFFAOYSA-N 2 1 306.479 2.950 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343609174 272182535 /nfs/dbraw/zinc/18/25/35/272182535.db2.gz GMZROOCGYUIWGV-GJZGRUSLSA-N 2 1 314.458 2.922 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343609174 272182538 /nfs/dbraw/zinc/18/25/38/272182538.db2.gz GMZROOCGYUIWGV-GJZGRUSLSA-N 2 1 314.458 2.922 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000343641135 272191378 /nfs/dbraw/zinc/19/13/78/272191378.db2.gz NXUQHLQVBQUJLU-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000343641135 272191380 /nfs/dbraw/zinc/19/13/80/272191380.db2.gz NXUQHLQVBQUJLU-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000343641135 272191382 /nfs/dbraw/zinc/19/13/82/272191382.db2.gz NXUQHLQVBQUJLU-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1)CCCC2 ZINC000343690145 272201545 /nfs/dbraw/zinc/20/15/45/272201545.db2.gz MRNFJEYVTSHDIJ-WMLDXEAASA-N 2 1 305.466 2.724 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1)CCCC2 ZINC000343690145 272201547 /nfs/dbraw/zinc/20/15/47/272201547.db2.gz MRNFJEYVTSHDIJ-WMLDXEAASA-N 2 1 305.466 2.724 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000343833677 272227684 /nfs/dbraw/zinc/22/76/84/272227684.db2.gz ZPHPZNLNTLKRCJ-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)sc2C1 ZINC000344084581 272259896 /nfs/dbraw/zinc/25/98/96/272259896.db2.gz BHMNWILLCNGOLR-OLZOCXBDSA-N 2 1 316.474 2.817 20 0 DFADMP Fc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ncccc12 ZINC000344089074 272260660 /nfs/dbraw/zinc/26/06/60/272260660.db2.gz LMNKVFQYWADRSC-ZDUSSCGKSA-N 2 1 310.376 2.923 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnc(C3CCC3)s1)C2 ZINC000344099776 272263432 /nfs/dbraw/zinc/26/34/32/272263432.db2.gz YMXPRROWWUEILF-GFCCVEGCSA-N 2 1 302.447 2.959 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)CCO2 ZINC000344109997 272264734 /nfs/dbraw/zinc/26/47/34/272264734.db2.gz OKPDPJKLDZWTNO-BQGCOEIASA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CCO2 ZINC000344109997 272264736 /nfs/dbraw/zinc/26/47/36/272264736.db2.gz OKPDPJKLDZWTNO-BQGCOEIASA-N 2 1 304.434 2.837 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(OC)c1 ZINC000344133673 272270411 /nfs/dbraw/zinc/27/04/11/272270411.db2.gz QLZWTAKIDGMTEV-UHFFFAOYSA-N 2 1 319.493 2.545 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccccc2F)CC1 ZINC000344281011 272303635 /nfs/dbraw/zinc/30/36/35/272303635.db2.gz AAWSXZPNNLTRDR-RDTXWAMCSA-N 2 1 324.440 2.602 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000193313865 427683574 /nfs/dbraw/zinc/68/35/74/427683574.db2.gz DEHNEPPIGZXATQ-NUJGCVRESA-N 2 1 317.477 2.625 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000344537249 272335730 /nfs/dbraw/zinc/33/57/30/272335730.db2.gz KAEMYLOFCOCMMU-CRAIPNDOSA-N 2 1 306.450 2.532 20 0 DFADMP Cc1ccsc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344554081 272337302 /nfs/dbraw/zinc/33/73/02/272337302.db2.gz VDPHDSRZOYBZRF-GOSISDBHSA-N 2 1 316.470 2.783 20 0 DFADMP Cc1ccsc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344554081 272337304 /nfs/dbraw/zinc/33/73/04/272337304.db2.gz VDPHDSRZOYBZRF-GOSISDBHSA-N 2 1 316.470 2.783 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000344606531 272345874 /nfs/dbraw/zinc/34/58/74/272345874.db2.gz DNFKNUAQGXTLCV-RYRKJORJSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000344606531 272345877 /nfs/dbraw/zinc/34/58/77/272345877.db2.gz DNFKNUAQGXTLCV-RYRKJORJSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)c1nccn1CCC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344617010 272348799 /nfs/dbraw/zinc/34/87/99/272348799.db2.gz PEFVMSSHXMWMJX-HNNXBMFYSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344617010 272348801 /nfs/dbraw/zinc/34/88/01/272348801.db2.gz PEFVMSSHXMWMJX-HNNXBMFYSA-N 2 1 320.481 2.633 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000344719590 272359812 /nfs/dbraw/zinc/35/98/12/272359812.db2.gz YMHDFVGOSHJPIE-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344719590 272359814 /nfs/dbraw/zinc/35/98/14/272359814.db2.gz YMHDFVGOSHJPIE-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344719590 272359816 /nfs/dbraw/zinc/35/98/16/272359816.db2.gz YMHDFVGOSHJPIE-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000344740263 272364636 /nfs/dbraw/zinc/36/46/36/272364636.db2.gz LCSPAAIDYCLGOZ-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC[NH+]1CCCC1 ZINC000193459826 427694994 /nfs/dbraw/zinc/69/49/94/427694994.db2.gz COKCORGCYLNEPF-MRXNPFEDSA-N 2 1 313.449 2.746 20 0 DFADMP Cc1nccn1CCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336854739 427760574 /nfs/dbraw/zinc/76/05/74/427760574.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336854739 427760577 /nfs/dbraw/zinc/76/05/77/427760577.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336854739 427760579 /nfs/dbraw/zinc/76/05/79/427760579.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000336854739 427760582 /nfs/dbraw/zinc/76/05/82/427760582.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 3 1 304.482 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000336854739 427760584 /nfs/dbraw/zinc/76/05/84/427760584.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 3 1 304.482 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336854739 427760587 /nfs/dbraw/zinc/76/05/87/427760587.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 3 1 304.482 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000336854739 427760589 /nfs/dbraw/zinc/76/05/89/427760589.db2.gz FXYIKQVZPOFKCT-SFHVURJKSA-N 3 1 304.482 2.635 20 0 DFADMP Cc1ccnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000336856946 427761452 /nfs/dbraw/zinc/76/14/52/427761452.db2.gz PGHFLCIUPKEAAU-UHFFFAOYSA-N 2 1 302.466 2.873 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871832 427769056 /nfs/dbraw/zinc/76/90/56/427769056.db2.gz NIHCOZVZCQWWTA-BBRMVZONSA-N 2 1 315.465 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871832 427769058 /nfs/dbraw/zinc/76/90/58/427769058.db2.gz NIHCOZVZCQWWTA-BBRMVZONSA-N 2 1 315.465 2.581 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871832 427769060 /nfs/dbraw/zinc/76/90/60/427769060.db2.gz NIHCOZVZCQWWTA-BBRMVZONSA-N 2 1 315.465 2.581 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@@H]1C ZINC000336871832 427769063 /nfs/dbraw/zinc/76/90/63/427769063.db2.gz NIHCOZVZCQWWTA-BBRMVZONSA-N 2 1 315.465 2.581 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@H]21 ZINC000339407909 427769102 /nfs/dbraw/zinc/76/91/02/427769102.db2.gz QDMXKDWHUKXVTQ-KZNAEPCWSA-N 2 1 300.446 2.613 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000339410277 427770213 /nfs/dbraw/zinc/77/02/13/427770213.db2.gz QMGVLNNEPDRJQJ-GOSISDBHSA-N 2 1 318.440 2.876 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000339410277 427770215 /nfs/dbraw/zinc/77/02/15/427770215.db2.gz QMGVLNNEPDRJQJ-GOSISDBHSA-N 2 1 318.440 2.876 20 0 DFADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000339409614 427770284 /nfs/dbraw/zinc/77/02/84/427770284.db2.gz HXKBZOWSNBGPMG-JWTNVVGKSA-N 2 1 300.446 2.769 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000339411238 427770524 /nfs/dbraw/zinc/77/05/24/427770524.db2.gz XBDCRWNELJPTKZ-HNNXBMFYSA-N 2 1 306.479 2.954 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300201769 427772118 /nfs/dbraw/zinc/77/21/18/427772118.db2.gz AMTPKTXKWARXFK-YHUYYLMFSA-N 2 1 323.481 2.649 20 0 DFADMP c1ccc(CCCO[C@@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427851 427773094 /nfs/dbraw/zinc/77/30/94/427773094.db2.gz DZNIPFUCSRVSBP-RBUKOAKNSA-N 2 1 302.462 2.710 20 0 DFADMP CCc1ccc(NC(=O)CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339433335 427773592 /nfs/dbraw/zinc/77/35/92/427773592.db2.gz OBAVSGFBXCCCKR-IBGZPJMESA-N 2 1 315.461 2.605 20 0 DFADMP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@H](CO)C(C)C)cc1 ZINC000339431099 427773621 /nfs/dbraw/zinc/77/36/21/427773621.db2.gz HXUFNHUABCNOMZ-LJQANCHMSA-N 2 1 320.477 2.514 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)nc(C(C)C)n1 ZINC000301362665 427791586 /nfs/dbraw/zinc/79/15/86/427791586.db2.gz PKQPVMHKQUMAMX-HRCADAONSA-N 2 1 300.450 2.829 20 0 DFADMP Cc1cc(NCc2ccc(OCC[NH+](C)C)cc2)nc(C)[nH+]1 ZINC000194040343 427726533 /nfs/dbraw/zinc/72/65/33/427726533.db2.gz BXSBHRSHDCXVFC-UHFFFAOYSA-N 2 1 300.406 2.646 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCCC2(CCC[N@H+](C[C@H]3CCCO3)C2)C1 ZINC000339204738 427730253 /nfs/dbraw/zinc/73/02/53/427730253.db2.gz VNYMWHCPWDJUIJ-PWCSWUJKSA-N 2 1 322.493 2.522 20 0 DFADMP CCC[N@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C ZINC000299076511 427747402 /nfs/dbraw/zinc/74/74/02/427747402.db2.gz XRAKQBRVFUWJOS-UHFFFAOYSA-N 2 1 314.433 2.851 20 0 DFADMP CCC[N@@H+](CCn1cc[nH+]c1C)CC(=O)Nc1ccccc1C ZINC000299076511 427747406 /nfs/dbraw/zinc/74/74/06/427747406.db2.gz XRAKQBRVFUWJOS-UHFFFAOYSA-N 2 1 314.433 2.851 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000336696230 427749610 /nfs/dbraw/zinc/74/96/10/427749610.db2.gz ARVVFCCILZWWEH-WOJBJXKFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000336696230 427749613 /nfs/dbraw/zinc/74/96/13/427749613.db2.gz ARVVFCCILZWWEH-WOJBJXKFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000336696230 427749616 /nfs/dbraw/zinc/74/96/16/427749616.db2.gz ARVVFCCILZWWEH-WOJBJXKFSA-N 2 1 314.473 2.867 20 0 DFADMP CC[NH+]1CCN(c2ccc(CNc3cc(C)cc[nH+]3)cn2)CC1 ZINC000301627772 427811041 /nfs/dbraw/zinc/81/10/41/427811041.db2.gz HKPRMMJCDIROJJ-UHFFFAOYSA-N 2 1 311.433 2.539 20 0 DFADMP CCc1cc(N2CC[N@@H+](CCOC)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301769119 427822566 /nfs/dbraw/zinc/82/25/66/427822566.db2.gz CVYWFBRHCQVTGM-OAHLLOKOSA-N 2 1 313.445 2.954 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)cc2C)CC1 ZINC000355657026 427836871 /nfs/dbraw/zinc/83/68/71/427836871.db2.gz ODONFYFHZCZVMW-UHFFFAOYSA-N 2 1 315.392 2.860 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000355657081 427837555 /nfs/dbraw/zinc/83/75/55/427837555.db2.gz OQJXGQRVVSLQAL-YVMONPNESA-N 2 1 309.413 2.926 20 0 DFADMP Cc1[nH+]ccc(N2CC[N@@H+](C3CCOCC3)C[C@H]2C)c1Cl ZINC000355678510 427846105 /nfs/dbraw/zinc/84/61/05/427846105.db2.gz FDARLTAQBWLXOI-GFCCVEGCSA-N 2 1 309.841 2.733 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)COC(C)C)[C@H](C)C1 ZINC000337328689 427846231 /nfs/dbraw/zinc/84/62/31/427846231.db2.gz FBKNYFUWGJSNFQ-ZACQAIPSSA-N 2 1 300.487 2.527 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c1C ZINC000302088408 427850568 /nfs/dbraw/zinc/85/05/68/427850568.db2.gz OJOWKKMOZJQOSR-KGLIPLIRSA-N 2 1 313.445 2.743 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH+](C(C)C)C(C)C ZINC000345673975 427853773 /nfs/dbraw/zinc/85/37/73/427853773.db2.gz XPVGPXRJXYILHZ-UHFFFAOYSA-N 2 1 308.470 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000340466775 427854121 /nfs/dbraw/zinc/85/41/21/427854121.db2.gz RJXBNJCNBFJVLJ-RISCZKNCSA-N 2 1 301.356 2.573 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340471089 427857199 /nfs/dbraw/zinc/85/71/99/427857199.db2.gz BQSJXMUZVRWATH-CVEARBPZSA-N 2 1 307.486 2.503 20 0 DFADMP COc1cc2c(NCC[N@@H+]3CCOC[C@H]3C)cc[nH+]c2cc1F ZINC000359482646 427870212 /nfs/dbraw/zinc/87/02/12/427870212.db2.gz MNOMRTDYERQURN-GFCCVEGCSA-N 2 1 319.380 2.515 20 0 DFADMP COc1cc2c(NCC[N@H+]3CCOC[C@H]3C)cc[nH+]c2cc1F ZINC000359482646 427870218 /nfs/dbraw/zinc/87/02/18/427870218.db2.gz MNOMRTDYERQURN-GFCCVEGCSA-N 2 1 319.380 2.515 20 0 DFADMP Fc1cccc(CC[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1F ZINC000337397029 427884182 /nfs/dbraw/zinc/88/41/82/427884182.db2.gz JIDXSNAUKSKLNV-OAHLLOKOSA-N 2 1 324.415 2.552 20 0 DFADMP C[C@@H](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000345758225 427891744 /nfs/dbraw/zinc/89/17/44/427891744.db2.gz XLWQXRYOEXMOHY-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP CN(C)c1nccc(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000303099596 427896902 /nfs/dbraw/zinc/89/69/02/427896902.db2.gz AEJIFPHBMBWQJY-INIZCTEOSA-N 2 1 311.433 2.619 20 0 DFADMP CN(C)c1nccc(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000303099597 427897985 /nfs/dbraw/zinc/89/79/85/427897985.db2.gz AEJIFPHBMBWQJY-MRXNPFEDSA-N 2 1 311.433 2.619 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000359551203 427904892 /nfs/dbraw/zinc/90/48/92/427904892.db2.gz JRDUARLANNMISX-XOKHGSTOSA-N 2 1 309.885 2.873 20 0 DFADMP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OCC ZINC000359594436 427926440 /nfs/dbraw/zinc/92/64/40/427926440.db2.gz UIAJLFZXFUUNNU-WBVHZDCISA-N 2 1 320.477 2.956 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359577100 427919270 /nfs/dbraw/zinc/91/92/70/427919270.db2.gz GEGMJMOBJBZSNN-INIZCTEOSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCCN(CC(C)(C)C)C1=O ZINC000359577100 427919278 /nfs/dbraw/zinc/91/92/78/427919278.db2.gz GEGMJMOBJBZSNN-INIZCTEOSA-N 2 1 320.481 2.551 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000359579368 427920153 /nfs/dbraw/zinc/92/01/53/427920153.db2.gz QKOHJDMFOBIALB-VXGBXAGGSA-N 2 1 303.381 2.911 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000359579368 427920158 /nfs/dbraw/zinc/92/01/58/427920158.db2.gz QKOHJDMFOBIALB-VXGBXAGGSA-N 2 1 303.381 2.911 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@H]21 ZINC000346839709 272692720 /nfs/dbraw/zinc/69/27/20/272692720.db2.gz SKLPZTATQHDYBP-YRGRVCCFSA-N 2 1 314.351 2.986 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340263443 427971296 /nfs/dbraw/zinc/97/12/96/427971296.db2.gz VXKBFCBSVJTXGQ-WSTLGDPDSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340263443 427971301 /nfs/dbraw/zinc/97/13/01/427971301.db2.gz VXKBFCBSVJTXGQ-WSTLGDPDSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340263443 427971304 /nfs/dbraw/zinc/97/13/04/427971304.db2.gz VXKBFCBSVJTXGQ-WSTLGDPDSA-N 2 1 313.489 2.894 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC(Cc2nccn2C)CC1 ZINC000340281858 427976655 /nfs/dbraw/zinc/97/66/55/427976655.db2.gz FGNWQSMFESALOI-SFHVURJKSA-N 2 1 318.509 2.938 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000340288316 427979369 /nfs/dbraw/zinc/97/93/69/427979369.db2.gz IGYKDLLBOOPJOV-VQTJNVASSA-N 2 1 315.505 2.925 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000340288316 427979374 /nfs/dbraw/zinc/97/93/74/427979374.db2.gz IGYKDLLBOOPJOV-VQTJNVASSA-N 2 1 315.505 2.925 20 0 DFADMP Cc1noc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340288912 427980098 /nfs/dbraw/zinc/98/00/98/427980098.db2.gz DIYBPOVVMKKKIR-DLBZAZTESA-N 2 1 314.433 2.736 20 0 DFADMP Cc1noc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340288912 427980104 /nfs/dbraw/zinc/98/01/04/427980104.db2.gz DIYBPOVVMKKKIR-DLBZAZTESA-N 2 1 314.433 2.736 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC(C)(C)C[NH+](C)C)[C@@H]1Oc1ccccc1 ZINC000359716183 427986631 /nfs/dbraw/zinc/98/66/31/427986631.db2.gz MHIJQKQYKQNZBZ-KSZLIROESA-N 2 1 320.477 2.789 20 0 DFADMP CC(C)CC[C@H](O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000369539742 427991298 /nfs/dbraw/zinc/99/12/98/427991298.db2.gz GJBIUZCKJMDESO-WMZOPIPTSA-N 2 1 308.510 2.980 20 0 DFADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340351170 427993751 /nfs/dbraw/zinc/99/37/51/427993751.db2.gz BLJNWVDHUWDJAA-CADBVGFASA-N 2 1 318.461 2.606 20 0 DFADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340351170 427993758 /nfs/dbraw/zinc/99/37/58/427993758.db2.gz BLJNWVDHUWDJAA-CADBVGFASA-N 2 1 318.461 2.606 20 0 DFADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340351178 427994298 /nfs/dbraw/zinc/99/42/98/427994298.db2.gz BLJNWVDHUWDJAA-YDZRNGNQSA-N 2 1 318.461 2.606 20 0 DFADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340351178 427994303 /nfs/dbraw/zinc/99/43/03/427994303.db2.gz BLJNWVDHUWDJAA-YDZRNGNQSA-N 2 1 318.461 2.606 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000345874545 427937173 /nfs/dbraw/zinc/93/71/73/427937173.db2.gz LFKOWTCGGONKIH-LSDHHAIUSA-N 2 1 318.465 2.695 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620181 427938693 /nfs/dbraw/zinc/93/86/93/427938693.db2.gz PUODEXNYOHJQKR-VQIMIIECSA-N 3 1 301.478 2.712 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620181 427938697 /nfs/dbraw/zinc/93/86/97/427938697.db2.gz PUODEXNYOHJQKR-VQIMIIECSA-N 2 1 301.478 2.712 20 0 DFADMP COc1cc2[nH+]ccc(N3C[C@H](C)[N@@H+](C)C[C@H]3C)c2cc1OC ZINC000413221357 427994658 /nfs/dbraw/zinc/99/46/58/427994658.db2.gz SZLKNLSHTPLFOI-QWHCGFSZSA-N 2 1 315.417 2.781 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC000355903956 427940917 /nfs/dbraw/zinc/94/09/17/427940917.db2.gz INNRBVSJCGXWFO-AZUAARDMSA-N 2 1 323.440 2.809 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340179377 427944854 /nfs/dbraw/zinc/94/48/54/427944854.db2.gz VVXCJWWQQZJKMF-MJGOQNOKSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340179377 427944857 /nfs/dbraw/zinc/94/48/57/427944857.db2.gz VVXCJWWQQZJKMF-MJGOQNOKSA-N 2 1 303.494 2.971 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)[C@@H]1Oc1ccccc1 ZINC000359635270 427947100 /nfs/dbraw/zinc/94/71/00/427947100.db2.gz NVJSVFWWCUEBRN-BVRUVYRISA-N 2 1 318.461 2.684 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]1Oc1ccccc1 ZINC000359635270 427947106 /nfs/dbraw/zinc/94/71/06/427947106.db2.gz NVJSVFWWCUEBRN-BVRUVYRISA-N 2 1 318.461 2.684 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188849 427949223 /nfs/dbraw/zinc/94/92/23/427949223.db2.gz QKLQEKKEZUCRJT-WMLDXEAASA-N 2 1 304.434 2.856 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356103466 428023608 /nfs/dbraw/zinc/02/36/08/428023608.db2.gz VEDZIPYRAAMDFB-HOTGVXAUSA-N 2 1 319.493 2.790 20 0 DFADMP C[C@H]([NH2+]CCSCCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376938853 428027779 /nfs/dbraw/zinc/02/77/79/428027779.db2.gz FNCUOCNJOJPHRZ-FUHWJXTLSA-N 2 1 322.518 2.602 20 0 DFADMP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000346129002 428030111 /nfs/dbraw/zinc/03/01/11/428030111.db2.gz FJTQHDKTCUCGGC-WDSOQIARSA-N 2 1 320.477 2.622 20 0 DFADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000359850524 428045831 /nfs/dbraw/zinc/04/58/31/428045831.db2.gz AUHNPRRQXGMPGH-QFBILLFUSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@H]1C[NH+]2CCCC[C@@H]2CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000359850524 428045836 /nfs/dbraw/zinc/04/58/36/428045836.db2.gz AUHNPRRQXGMPGH-QFBILLFUSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@H]1C[NH+]2CCCC[C@@H]2CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000359850524 428045841 /nfs/dbraw/zinc/04/58/41/428045841.db2.gz AUHNPRRQXGMPGH-QFBILLFUSA-N 2 1 319.468 2.816 20 0 DFADMP CCc1nc(NC[C@H](c2cccc(F)c2)[NH+](C)C)cc(C)[nH+]1 ZINC000341380391 428054607 /nfs/dbraw/zinc/05/46/07/428054607.db2.gz PGNBTULHUOFWKR-OAHLLOKOSA-N 2 1 302.397 3.201 20 0 DFADMP C=Cn1cc(CNC[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000377085227 428055440 /nfs/dbraw/zinc/05/54/40/428055440.db2.gz XNNCOSQMZZDWCB-FUHWJXTLSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000377085227 428055443 /nfs/dbraw/zinc/05/54/43/428055443.db2.gz XNNCOSQMZZDWCB-FUHWJXTLSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000377085227 428055445 /nfs/dbraw/zinc/05/54/45/428055445.db2.gz XNNCOSQMZZDWCB-FUHWJXTLSA-N 2 1 310.445 2.984 20 0 DFADMP CCc1cnc(C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)s1 ZINC000346187598 428059769 /nfs/dbraw/zinc/05/97/69/428059769.db2.gz BLWNNPMKBIVIQR-CQSZACIVSA-N 2 1 311.495 2.638 20 0 DFADMP CCc1cnc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)s1 ZINC000346187598 428059776 /nfs/dbraw/zinc/05/97/76/428059776.db2.gz BLWNNPMKBIVIQR-CQSZACIVSA-N 2 1 311.495 2.638 20 0 DFADMP C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359884532 428060555 /nfs/dbraw/zinc/06/05/55/428060555.db2.gz YMVVXGFJUPMEGB-IJEWVQPXSA-N 2 1 314.433 2.740 20 0 DFADMP C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000359884532 428060561 /nfs/dbraw/zinc/06/05/61/428060561.db2.gz YMVVXGFJUPMEGB-IJEWVQPXSA-N 2 1 314.433 2.740 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000376826074 428005717 /nfs/dbraw/zinc/00/57/17/428005717.db2.gz NPEOFPYNWGFZSX-LTIDMASMSA-N 2 1 312.523 2.609 20 0 DFADMP CC1(C)C[NH+](CCCC[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000369584408 428007893 /nfs/dbraw/zinc/00/78/93/428007893.db2.gz MYTMIIPJYIOHKC-UHFFFAOYSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000346101056 428020636 /nfs/dbraw/zinc/02/06/36/428020636.db2.gz SIKIWVQSWFJHGM-AEFFLSMTSA-N 2 1 319.493 2.744 20 0 DFADMP Cc1nn(-c2ccncc2)cc1CN1CCO[C@@H]2CCCC[C@H]21 ZINC000346210562 428071367 /nfs/dbraw/zinc/07/13/67/428071367.db2.gz PFTRWJIPTCYTPH-QZTJIDSGSA-N 2 1 312.417 2.719 20 0 DFADMP Cc1nn(-c2ccncc2)cc1CN1CCO[C@H]2CCCC[C@H]21 ZINC000346210560 428071645 /nfs/dbraw/zinc/07/16/45/428071645.db2.gz PFTRWJIPTCYTPH-MSOLQXFVSA-N 2 1 312.417 2.719 20 0 DFADMP c1cn(-c2csc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)cn1 ZINC000346219866 428076279 /nfs/dbraw/zinc/07/62/79/428076279.db2.gz NFDRVMKYEBOTMY-OAHLLOKOSA-N 2 1 316.474 2.852 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000369883659 428083153 /nfs/dbraw/zinc/08/31/53/428083153.db2.gz UJTXVUZENBXIPD-GXTWGEPZSA-N 2 1 301.390 2.566 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853930 428110741 /nfs/dbraw/zinc/11/07/41/428110741.db2.gz PRKPBSFVDZVJOD-YPMHNXCESA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859265 428112981 /nfs/dbraw/zinc/11/29/81/428112981.db2.gz GEDKBYKBFLLWJK-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351867122 428115061 /nfs/dbraw/zinc/11/50/61/428115061.db2.gz WGCPOPMKSLIGPE-IRXDYDNUSA-N 2 1 311.514 2.576 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351867122 428115069 /nfs/dbraw/zinc/11/50/69/428115069.db2.gz WGCPOPMKSLIGPE-IRXDYDNUSA-N 2 1 311.514 2.576 20 0 DFADMP COc1cccc(C[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000360016032 428118445 /nfs/dbraw/zinc/11/84/45/428118445.db2.gz MFPAOBFGAPGLOU-WMZOPIPTSA-N 2 1 311.429 2.817 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027743 428124101 /nfs/dbraw/zinc/12/41/01/428124101.db2.gz OEDUBXUFULEGOL-NVXWUHKLSA-N 2 1 318.461 2.805 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027743 428124104 /nfs/dbraw/zinc/12/41/04/428124104.db2.gz OEDUBXUFULEGOL-NVXWUHKLSA-N 2 1 318.461 2.805 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027743 428124108 /nfs/dbraw/zinc/12/41/08/428124108.db2.gz OEDUBXUFULEGOL-NVXWUHKLSA-N 2 1 318.461 2.805 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000360028121 428124762 /nfs/dbraw/zinc/12/47/62/428124762.db2.gz CMANCMYYJLAMAI-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000360028121 428124766 /nfs/dbraw/zinc/12/47/66/428124766.db2.gz CMANCMYYJLAMAI-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP O[C@H](CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000377124105 428064378 /nfs/dbraw/zinc/06/43/78/428064378.db2.gz CPIRAXIEBIKVCG-NCXUSEDFSA-N 2 1 300.446 2.526 20 0 DFADMP O[C@H](CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000377124105 428064386 /nfs/dbraw/zinc/06/43/86/428064386.db2.gz CPIRAXIEBIKVCG-NCXUSEDFSA-N 2 1 300.446 2.526 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSC(C)(C)C1 ZINC000346199094 428065026 /nfs/dbraw/zinc/06/50/26/428065026.db2.gz KYRADABVLBILSA-UHFFFAOYSA-N 2 1 302.447 2.903 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352386009 428134739 /nfs/dbraw/zinc/13/47/39/428134739.db2.gz QOUSZPQOLSMISB-MRXNPFEDSA-N 2 1 317.481 3.143 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352386009 428134744 /nfs/dbraw/zinc/13/47/44/428134744.db2.gz QOUSZPQOLSMISB-MRXNPFEDSA-N 2 1 317.481 3.143 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000377489496 428137735 /nfs/dbraw/zinc/13/77/35/428137735.db2.gz AHPKCVVHANLQHV-HNNXBMFYSA-N 2 1 311.364 2.517 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC[NH3+])OCCO2 ZINC000352535034 428138221 /nfs/dbraw/zinc/13/82/21/428138221.db2.gz LOXKBVILQGVBNW-AWEZNQCLSA-N 2 1 322.474 2.883 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CCCC[C@H]1CC[NH3+])OCCO2 ZINC000352535034 428138223 /nfs/dbraw/zinc/13/82/23/428138223.db2.gz LOXKBVILQGVBNW-AWEZNQCLSA-N 2 1 322.474 2.883 20 0 DFADMP FC(F)COc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352535346 428139952 /nfs/dbraw/zinc/13/99/52/428139952.db2.gz PMIMAZRCMROFAE-KRWDZBQOSA-N 2 1 310.388 2.906 20 0 DFADMP FC(F)COc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352535346 428139954 /nfs/dbraw/zinc/13/99/54/428139954.db2.gz PMIMAZRCMROFAE-KRWDZBQOSA-N 2 1 310.388 2.906 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000346360631 428140596 /nfs/dbraw/zinc/14/05/96/428140596.db2.gz JGLAFRRCRFZMPF-HAGHYFMRSA-N 2 1 314.473 2.913 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352540631 428141889 /nfs/dbraw/zinc/14/18/89/428141889.db2.gz NOZLFLMUNDRITP-SFHVURJKSA-N 2 1 314.408 2.791 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352540631 428141892 /nfs/dbraw/zinc/14/18/92/428141892.db2.gz NOZLFLMUNDRITP-SFHVURJKSA-N 2 1 314.408 2.791 20 0 DFADMP c1cnc(Oc2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC000352539894 428143058 /nfs/dbraw/zinc/14/30/58/428143058.db2.gz DSJOKRPYGJKCKQ-IBGZPJMESA-N 2 1 324.428 2.844 20 0 DFADMP c1cnc(Oc2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC000352539894 428143063 /nfs/dbraw/zinc/14/30/63/428143063.db2.gz DSJOKRPYGJKCKQ-IBGZPJMESA-N 2 1 324.428 2.844 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)cn1 ZINC000352544478 428144783 /nfs/dbraw/zinc/14/47/83/428144783.db2.gz AZSKTKJODMROBJ-KRWDZBQOSA-N 2 1 316.474 2.724 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)s2)cn1 ZINC000352544478 428144787 /nfs/dbraw/zinc/14/47/87/428144787.db2.gz AZSKTKJODMROBJ-KRWDZBQOSA-N 2 1 316.474 2.724 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352545730 428145547 /nfs/dbraw/zinc/14/55/47/428145547.db2.gz LFXWMQKRBPRTGC-UHFFFAOYSA-N 2 1 303.450 2.986 20 0 DFADMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000370167564 428148706 /nfs/dbraw/zinc/14/87/06/428148706.db2.gz QZNNQKSOFIBSSC-DZGCQCFKSA-N 2 1 308.857 2.857 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000360109838 428165290 /nfs/dbraw/zinc/16/52/90/428165290.db2.gz JLYFNIXFEDOXMG-GASCZTMLSA-N 2 1 303.450 2.602 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@@H]1C ZINC000346424613 428167552 /nfs/dbraw/zinc/16/75/52/428167552.db2.gz DLQHUPQAPSZNEY-OKZBNKHCSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413942066 428170686 /nfs/dbraw/zinc/17/06/86/428170686.db2.gz VXHFLZMJARGBCN-STQMWFEESA-N 2 1 307.413 2.699 20 0 DFADMP CSC1(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CCC1 ZINC000356433421 428176400 /nfs/dbraw/zinc/17/64/00/428176400.db2.gz RFXGIDJLEYSETL-QGZVFWFLSA-N 2 1 320.502 2.629 20 0 DFADMP Fc1ccc([C@@H]([NH2+]CCn2ccnc2)c2cccnc2)c(F)c1 ZINC000346467016 428181213 /nfs/dbraw/zinc/18/12/13/428181213.db2.gz TVIIANPVQYGFIY-KRWDZBQOSA-N 2 1 314.339 2.936 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000414103091 428205329 /nfs/dbraw/zinc/20/53/29/428205329.db2.gz NGLQUZAFPOOXBR-DOTOQJQBSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000414103091 428205336 /nfs/dbraw/zinc/20/53/36/428205336.db2.gz NGLQUZAFPOOXBR-DOTOQJQBSA-N 2 1 305.466 2.731 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000414131024 428213486 /nfs/dbraw/zinc/21/34/86/428213486.db2.gz YMGKCZOAWJDQNU-OMQSBVIBSA-N 2 1 314.473 2.933 20 0 DFADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000360232655 428216162 /nfs/dbraw/zinc/21/61/62/428216162.db2.gz BXMSXPOHEVPMLR-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000360232655 428216165 /nfs/dbraw/zinc/21/61/65/428216165.db2.gz BXMSXPOHEVPMLR-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000360232655 428216169 /nfs/dbraw/zinc/21/61/69/428216169.db2.gz BXMSXPOHEVPMLR-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000360232655 428216172 /nfs/dbraw/zinc/21/61/72/428216172.db2.gz BXMSXPOHEVPMLR-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)OC)[C@@H](C)C1 ZINC000346559203 428216921 /nfs/dbraw/zinc/21/69/21/428216921.db2.gz JGRQUKFERQDADC-HOTGVXAUSA-N 2 1 300.487 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC(C)(C)OC)[C@H](C)C1 ZINC000346559185 428218455 /nfs/dbraw/zinc/21/84/55/428218455.db2.gz JGRQUKFERQDADC-CVEARBPZSA-N 2 1 300.487 2.528 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377758718 428218590 /nfs/dbraw/zinc/21/85/90/428218590.db2.gz DITRYDWEKAHJLJ-RBUKOAKNSA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377758718 428218594 /nfs/dbraw/zinc/21/85/94/428218594.db2.gz DITRYDWEKAHJLJ-RBUKOAKNSA-N 2 1 319.468 2.989 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488017 428223281 /nfs/dbraw/zinc/22/32/81/428223281.db2.gz KFMAWNJSOSNOCN-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488017 428223288 /nfs/dbraw/zinc/22/32/88/428223288.db2.gz KFMAWNJSOSNOCN-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488017 428223292 /nfs/dbraw/zinc/22/32/92/428223292.db2.gz KFMAWNJSOSNOCN-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)n2)[C@H](C)C1 ZINC000414161879 428223305 /nfs/dbraw/zinc/22/33/05/428223305.db2.gz GGFAXBUBXQPVEA-VQIMIIECSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)n2)[C@H](C)C1 ZINC000414161879 428223311 /nfs/dbraw/zinc/22/33/11/428223311.db2.gz GGFAXBUBXQPVEA-VQIMIIECSA-N 2 1 319.493 2.925 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([NH+]3CCCC3)C2)c1C ZINC000360253559 428223835 /nfs/dbraw/zinc/22/38/35/428223835.db2.gz IMWABXIBDWSOHV-MRXNPFEDSA-N 2 1 303.450 2.767 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414184681 428227166 /nfs/dbraw/zinc/22/71/66/428227166.db2.gz OCSCKBCIGRYGEN-QWHCGFSZSA-N 2 1 310.463 2.917 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)nc2)[C@H](C)C1 ZINC000352760034 428233842 /nfs/dbraw/zinc/23/38/42/428233842.db2.gz NCTFNWQEUPYDPY-VQIMIIECSA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)nc2)[C@H](C)C1 ZINC000352760034 428233847 /nfs/dbraw/zinc/23/38/47/428233847.db2.gz NCTFNWQEUPYDPY-VQIMIIECSA-N 2 1 319.493 2.871 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000377830170 428237667 /nfs/dbraw/zinc/23/76/67/428237667.db2.gz BLIKZJGHDVFXSB-JENIJYKNSA-N 2 1 308.429 2.833 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000377830170 428237670 /nfs/dbraw/zinc/23/76/70/428237670.db2.gz BLIKZJGHDVFXSB-JENIJYKNSA-N 2 1 308.429 2.833 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000377831705 428239004 /nfs/dbraw/zinc/23/90/04/428239004.db2.gz AQKCQMUTLVKDOJ-GOEBONIOSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)s1 ZINC000377831705 428239008 /nfs/dbraw/zinc/23/90/08/428239008.db2.gz AQKCQMUTLVKDOJ-GOEBONIOSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000377831705 428239013 /nfs/dbraw/zinc/23/90/13/428239013.db2.gz AQKCQMUTLVKDOJ-GOEBONIOSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000377831705 428239017 /nfs/dbraw/zinc/23/90/17/428239017.db2.gz AQKCQMUTLVKDOJ-GOEBONIOSA-N 2 1 322.522 2.905 20 0 DFADMP C[NH+](C)Cc1cnc(CNc2ccc(C[NH+](C)C)cc2)s1 ZINC000352772121 428239542 /nfs/dbraw/zinc/23/95/42/428239542.db2.gz PTCLZHOSGZZMAE-UHFFFAOYSA-N 2 1 304.463 2.878 20 0 DFADMP C[S@](=O)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000360169770 428189500 /nfs/dbraw/zinc/18/95/00/428189500.db2.gz VABAZSVGUAJNAG-NRFANRHFSA-N 2 1 308.491 2.636 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccccc1Cl)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377680558 428193550 /nfs/dbraw/zinc/19/35/50/428193550.db2.gz VTGYGDGRJLEIBS-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccccc1Cl)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377680558 428193556 /nfs/dbraw/zinc/19/35/56/428193556.db2.gz VTGYGDGRJLEIBS-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377682398 428194000 /nfs/dbraw/zinc/19/40/00/428194000.db2.gz SQLGYBKMLFVXEI-MRXNPFEDSA-N 2 1 313.401 2.503 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377682398 428194002 /nfs/dbraw/zinc/19/40/02/428194002.db2.gz SQLGYBKMLFVXEI-MRXNPFEDSA-N 2 1 313.401 2.503 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000377698978 428197876 /nfs/dbraw/zinc/19/78/76/428197876.db2.gz NEQBHLVQPPFCKF-OLZOCXBDSA-N 2 1 303.381 2.944 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000414072034 428197914 /nfs/dbraw/zinc/19/79/14/428197914.db2.gz MIOHXRACONQNHV-CVEARBPZSA-N 2 1 306.450 2.501 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414072374 428197970 /nfs/dbraw/zinc/19/79/70/428197970.db2.gz MLMYPZKLBSNNSW-CVEARBPZSA-N 2 1 304.482 2.992 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000414075181 428199723 /nfs/dbraw/zinc/19/97/23/428199723.db2.gz XKUNWCLJLAFYAC-HZPDHXFCSA-N 2 1 305.466 2.875 20 0 DFADMP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000414341727 428264483 /nfs/dbraw/zinc/26/44/83/428264483.db2.gz LMXLQVPUMPDEDT-YQQAZPJKSA-N 2 1 309.498 2.532 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)C(C)(C)C ZINC000370659443 428264699 /nfs/dbraw/zinc/26/46/99/428264699.db2.gz COUWAKITCQAUGU-YYIAUSFCSA-N 2 1 312.498 2.527 20 0 DFADMP CC(C)[C@H]([NH3+])CCN(C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346669473 428265228 /nfs/dbraw/zinc/26/52/28/428265228.db2.gz GKLALVRENRJBGU-CQSZACIVSA-N 2 1 324.538 2.715 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414352104 428266993 /nfs/dbraw/zinc/26/69/93/428266993.db2.gz SLMBEHNXBONBLM-SZXPJGKVSA-N 2 1 305.441 2.723 20 0 DFADMP CC[N@H+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414347449 428267989 /nfs/dbraw/zinc/26/79/89/428267989.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347449 428267993 /nfs/dbraw/zinc/26/79/93/428267993.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347449 428267998 /nfs/dbraw/zinc/26/79/98/428267998.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347449 428268003 /nfs/dbraw/zinc/26/80/03/428268003.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347449 428268007 /nfs/dbraw/zinc/26/80/07/428268007.db2.gz QZUUIDOFWBHLMA-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694594 428275610 /nfs/dbraw/zinc/27/56/10/428275610.db2.gz VBCWJSZBRRCRNO-AAEUAGOBSA-N 2 1 302.340 2.797 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370709059 428282266 /nfs/dbraw/zinc/28/22/66/428282266.db2.gz IMGHEMABMJDVMB-APWZRJJASA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370709059 428282267 /nfs/dbraw/zinc/28/22/67/428282267.db2.gz IMGHEMABMJDVMB-APWZRJJASA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccccc1[C@@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000370732877 428285945 /nfs/dbraw/zinc/28/59/45/428285945.db2.gz SJHLHRKJLSHNRW-QZTJIDSGSA-N 2 1 301.478 2.768 20 0 DFADMP Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000356732680 428288678 /nfs/dbraw/zinc/28/86/78/428288678.db2.gz ACNMAENCZBHBSF-HNNXBMFYSA-N 2 1 314.433 2.639 20 0 DFADMP c1ccc2c(c1)COC21CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000360417600 428288915 /nfs/dbraw/zinc/28/89/15/428288915.db2.gz DMBBMVBVENFZJS-UHFFFAOYSA-N 2 1 300.446 2.994 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(NCC[NH+](C(C)C)C(C)C)n1 ZINC000370748284 428289873 /nfs/dbraw/zinc/28/98/73/428289873.db2.gz GJJQUXZIEBNDOK-UHFFFAOYSA-N 2 1 301.438 3.106 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000377840951 428242718 /nfs/dbraw/zinc/24/27/18/428242718.db2.gz XGZADXOOJIMOGX-XJKSGUPXSA-N 2 1 300.406 2.586 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c2O1 ZINC000414274077 428246991 /nfs/dbraw/zinc/24/69/91/428246991.db2.gz PHHGJYFAERZHRM-NSHDSACASA-N 2 1 310.344 2.582 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2O1 ZINC000414274077 428246997 /nfs/dbraw/zinc/24/69/97/428246997.db2.gz PHHGJYFAERZHRM-NSHDSACASA-N 2 1 310.344 2.582 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@H](C)C1 ZINC000414282315 428250343 /nfs/dbraw/zinc/25/03/43/428250343.db2.gz HLQZBBRHFVJPMF-QBPKDAKJSA-N 2 1 300.462 2.994 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000360328839 428253373 /nfs/dbraw/zinc/25/33/73/428253373.db2.gz HQPHASQCOHVLMF-MAUKXSAKSA-N 2 1 320.452 2.804 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000370620101 428254200 /nfs/dbraw/zinc/25/42/00/428254200.db2.gz KOMKAZMPNICXGC-DLTWYDFYSA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000370620101 428254202 /nfs/dbraw/zinc/25/42/02/428254202.db2.gz KOMKAZMPNICXGC-DLTWYDFYSA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000370620101 428254206 /nfs/dbraw/zinc/25/42/06/428254206.db2.gz KOMKAZMPNICXGC-DLTWYDFYSA-N 2 1 307.507 2.813 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000377885405 428256458 /nfs/dbraw/zinc/25/64/58/428256458.db2.gz SUOIBSLMLMTQFX-QGZVFWFLSA-N 2 1 304.482 2.936 20 0 DFADMP CC[N@H+]1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000414330928 428260340 /nfs/dbraw/zinc/26/03/40/428260340.db2.gz CKUQEFACDPWXJH-XLIONFOSSA-N 2 1 315.505 2.766 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)OCc1ccccc1)CC2 ZINC000360345172 428261645 /nfs/dbraw/zinc/26/16/45/428261645.db2.gz PXBKUNAGXVUMIW-UHFFFAOYSA-N 2 1 316.445 2.680 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)OCc1ccccc1)CC2 ZINC000360345172 428261652 /nfs/dbraw/zinc/26/16/52/428261652.db2.gz PXBKUNAGXVUMIW-UHFFFAOYSA-N 2 1 316.445 2.680 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000360485164 428317865 /nfs/dbraw/zinc/31/78/65/428317865.db2.gz STIASULHHRFELC-GDBMZVCRSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@@H]1[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CCC[N@H+]1C ZINC000346795736 428322850 /nfs/dbraw/zinc/32/28/50/428322850.db2.gz MSALCEPUEOZNCQ-XLIONFOSSA-N 2 1 315.505 2.766 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346816240 428329637 /nfs/dbraw/zinc/32/96/37/428329637.db2.gz CVZMMSDVJDMHNZ-DFQSSKMNSA-N 2 1 324.472 2.717 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]21 ZINC000346822152 428331230 /nfs/dbraw/zinc/33/12/30/428331230.db2.gz FGSXCJKECDOJNC-BMGDILEWSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4ccc(Cl)cn34)C[C@@H]21 ZINC000346819899 428331356 /nfs/dbraw/zinc/33/13/56/428331356.db2.gz FSTVTBKOECOXNG-BYCMXARLSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4ccc(Cl)cn34)C[C@@H]21 ZINC000346819899 428331359 /nfs/dbraw/zinc/33/13/59/428331359.db2.gz FSTVTBKOECOXNG-BYCMXARLSA-N 2 1 304.825 2.547 20 0 DFADMP COCCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346826689 428335196 /nfs/dbraw/zinc/33/51/96/428335196.db2.gz MAMGBGLPXPSRQI-YTQUADARSA-N 2 1 318.461 2.661 20 0 DFADMP COCCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000346826686 428335493 /nfs/dbraw/zinc/33/54/93/428335493.db2.gz MAMGBGLPXPSRQI-QXAKKESOSA-N 2 1 318.461 2.661 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@@H]21 ZINC000346833501 428336615 /nfs/dbraw/zinc/33/66/15/428336615.db2.gz RPTNOXWVAKCYLW-FAAHXZRKSA-N 2 1 307.463 2.554 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@@H]21 ZINC000346833501 428336620 /nfs/dbraw/zinc/33/66/20/428336620.db2.gz RPTNOXWVAKCYLW-FAAHXZRKSA-N 2 1 307.463 2.554 20 0 DFADMP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000346833596 428337316 /nfs/dbraw/zinc/33/73/16/428337316.db2.gz SAHCPENPODEWDC-AEFFLSMTSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000346833596 428337322 /nfs/dbraw/zinc/33/73/22/428337322.db2.gz SAHCPENPODEWDC-AEFFLSMTSA-N 2 1 318.461 2.676 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@H]21 ZINC000346833507 428338114 /nfs/dbraw/zinc/33/81/14/428338114.db2.gz RPTNOXWVAKCYLW-NGFQHRJXSA-N 2 1 307.463 2.554 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@H]21 ZINC000346833507 428338117 /nfs/dbraw/zinc/33/81/17/428338117.db2.gz RPTNOXWVAKCYLW-NGFQHRJXSA-N 2 1 307.463 2.554 20 0 DFADMP CCc1nocc1C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000352992519 428341884 /nfs/dbraw/zinc/34/18/84/428341884.db2.gz XENIZQXXZJJWLP-CQSZACIVSA-N 2 1 300.406 2.759 20 0 DFADMP CCc1nocc1CN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000352992519 428341890 /nfs/dbraw/zinc/34/18/90/428341890.db2.gz XENIZQXXZJJWLP-CQSZACIVSA-N 2 1 300.406 2.759 20 0 DFADMP Fc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346840499 428341952 /nfs/dbraw/zinc/34/19/52/428341952.db2.gz GDWOUMMVDCSKOJ-AEFFLSMTSA-N 2 1 306.425 2.806 20 0 DFADMP Fc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346840499 428341956 /nfs/dbraw/zinc/34/19/56/428341956.db2.gz GDWOUMMVDCSKOJ-AEFFLSMTSA-N 2 1 306.425 2.806 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346849934 428344630 /nfs/dbraw/zinc/34/46/30/428344630.db2.gz GPMDQYYQIWFIRA-SGMGOOAPSA-N 2 1 310.825 2.526 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346849934 428344634 /nfs/dbraw/zinc/34/46/34/428344634.db2.gz GPMDQYYQIWFIRA-SGMGOOAPSA-N 2 1 310.825 2.526 20 0 DFADMP COc1cc2c(c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c1)O[C@@H](C)C2 ZINC000346848952 428345129 /nfs/dbraw/zinc/34/51/29/428345129.db2.gz FTICCJXVLFVAMK-UHIXZJCNSA-N 2 1 316.445 2.578 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000346858462 428348435 /nfs/dbraw/zinc/34/84/35/428348435.db2.gz BHLNORISJANNDY-NEWSRXKRSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCOC1 ZINC000346858462 428348442 /nfs/dbraw/zinc/34/84/42/428348442.db2.gz BHLNORISJANNDY-NEWSRXKRSA-N 2 1 302.462 2.913 20 0 DFADMP CCc1cccnc1[C@@H](C)[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000356882911 428348586 /nfs/dbraw/zinc/34/85/86/428348586.db2.gz VSHWXYRICWQOAF-QGZVFWFLSA-N 2 1 318.509 2.712 20 0 DFADMP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000356887504 428350018 /nfs/dbraw/zinc/35/00/18/428350018.db2.gz YOWYGPGAWFLSJL-RDJZCZTQSA-N 2 1 305.466 2.532 20 0 DFADMP CCc1nc(CN2CCC[C@@H]2Cn2cc[nH+]c2C(C)C)no1 ZINC000371074649 428354871 /nfs/dbraw/zinc/35/48/71/428354871.db2.gz OSCFEXWAPDUJKC-CYBMUJFWSA-N 2 1 303.410 2.617 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342100406 428299352 /nfs/dbraw/zinc/29/93/52/428299352.db2.gz KDTUTDQXKMSYKX-MWDXBVQZSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342100406 428299360 /nfs/dbraw/zinc/29/93/60/428299360.db2.gz KDTUTDQXKMSYKX-MWDXBVQZSA-N 2 1 315.461 2.690 20 0 DFADMP CC[C@H](F)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352894795 428301914 /nfs/dbraw/zinc/30/19/14/428301914.db2.gz VOJIECSMVPXPJI-OALUTQOASA-N 2 1 319.468 2.627 20 0 DFADMP CCc1ncc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000414447897 428302349 /nfs/dbraw/zinc/30/23/49/428302349.db2.gz YPASNCLVVGTKDQ-QAPCUYQASA-N 2 1 310.445 2.792 20 0 DFADMP CCc1ncc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000414447897 428302353 /nfs/dbraw/zinc/30/23/53/428302353.db2.gz YPASNCLVVGTKDQ-QAPCUYQASA-N 2 1 310.445 2.792 20 0 DFADMP CC(C)[N@@H+](C[C@H](O)COc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414741841 428389626 /nfs/dbraw/zinc/38/96/26/428389626.db2.gz LDSLHHVMYQUQKS-SQNIBIBYSA-N 2 1 320.477 2.525 20 0 DFADMP CC(C)[N@@H+](C[C@@H](O)COc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414741832 428389926 /nfs/dbraw/zinc/38/99/26/428389926.db2.gz LDSLHHVMYQUQKS-FGTMMUONSA-N 2 1 320.477 2.525 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739235 428390434 /nfs/dbraw/zinc/39/04/34/428390434.db2.gz PWQQDGLNJVBZAG-JKIFEVAISA-N 2 1 307.869 2.674 20 0 DFADMP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414737813 428391655 /nfs/dbraw/zinc/39/16/55/428391655.db2.gz OLERBICWQSGLMU-CABCVRRESA-N 2 1 321.440 2.863 20 0 DFADMP COc1cc(C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C2CC2)ccc1O ZINC000414747719 428391984 /nfs/dbraw/zinc/39/19/84/428391984.db2.gz MXPPKNLJXLTRMT-UKRRQHHQSA-N 2 1 304.434 2.753 20 0 DFADMP CCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414762664 428396197 /nfs/dbraw/zinc/39/61/97/428396197.db2.gz ATRJKWQISKFGIJ-CALCHBBNSA-N 2 1 318.461 2.915 20 0 DFADMP O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000378443239 428397586 /nfs/dbraw/zinc/39/75/86/428397586.db2.gz RRNCCQVNURNZIO-NSISKUIASA-N 2 1 314.473 2.843 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(SC)cc1OC ZINC000346992250 428397820 /nfs/dbraw/zinc/39/78/20/428397820.db2.gz ANUKAOCDUCOTQJ-DGCLKSJQSA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)c(SC)cc1OC ZINC000346992250 428397825 /nfs/dbraw/zinc/39/78/25/428397825.db2.gz ANUKAOCDUCOTQJ-DGCLKSJQSA-N 2 1 310.463 2.595 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414764957 428397973 /nfs/dbraw/zinc/39/79/73/428397973.db2.gz FMVPBOSENYIIKJ-CALCHBBNSA-N 2 1 318.461 2.915 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2cccs2)n1 ZINC000414771170 428398079 /nfs/dbraw/zinc/39/80/79/428398079.db2.gz QIQBSAUUVJVIMD-OKILXGFUSA-N 2 1 316.474 2.580 20 0 DFADMP Fc1cccc(N2CCCC2)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414769872 428398492 /nfs/dbraw/zinc/39/84/92/428398492.db2.gz NXURYXIERJTBBV-IYBDPMFKSA-N 2 1 317.452 2.857 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000414771992 428399685 /nfs/dbraw/zinc/39/96/85/428399685.db2.gz BBAPZCPETCCPNP-MSOLQXFVSA-N 2 1 324.472 2.909 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414773302 428400517 /nfs/dbraw/zinc/40/05/17/428400517.db2.gz DJFAHNYJJAPXLZ-SJORKVTESA-N 2 1 304.482 2.731 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000346995455 428400591 /nfs/dbraw/zinc/40/05/91/428400591.db2.gz BHWUONZPYCSOQE-ZDUSSCGKSA-N 2 1 302.340 2.669 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000346995455 428400598 /nfs/dbraw/zinc/40/05/98/428400598.db2.gz BHWUONZPYCSOQE-ZDUSSCGKSA-N 2 1 302.340 2.669 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC12CCOCC2 ZINC000414773726 428402382 /nfs/dbraw/zinc/40/23/82/428402382.db2.gz DULMABGVLVTDJC-PYKQWIPUSA-N 2 1 304.409 2.526 20 0 DFADMP C[N@@H+](Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC([NH3+])C1 ZINC000414777933 428404567 /nfs/dbraw/zinc/40/45/67/428404567.db2.gz PHOJNXKAUDBPII-UHFFFAOYSA-N 2 1 324.350 2.813 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000347006775 428405746 /nfs/dbraw/zinc/40/57/46/428405746.db2.gz CLNSMKCAOZCFAT-UHFFFAOYSA-N 2 1 312.461 2.753 20 0 DFADMP C[N@@H+](CCOCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353149586 428405713 /nfs/dbraw/zinc/40/57/13/428405713.db2.gz ABKKUTGTGWVSFP-JWTNVVGKSA-N 2 1 318.461 2.639 20 0 DFADMP C[NH+](CCOCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000353149586 428405716 /nfs/dbraw/zinc/40/57/16/428405716.db2.gz ABKKUTGTGWVSFP-JWTNVVGKSA-N 2 1 318.461 2.639 20 0 DFADMP C[NH+](CCOCCOc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353149586 428405720 /nfs/dbraw/zinc/40/57/20/428405720.db2.gz ABKKUTGTGWVSFP-JWTNVVGKSA-N 2 1 318.461 2.639 20 0 DFADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371836339 428406361 /nfs/dbraw/zinc/40/63/61/428406361.db2.gz YNVUMHILKBXXGI-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414783264 428406615 /nfs/dbraw/zinc/40/66/15/428406615.db2.gz PSHVSCSLGGGFEL-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000414782722 428406964 /nfs/dbraw/zinc/40/69/64/428406964.db2.gz ORYUXMYJLLUXJW-LSDHHAIUSA-N 2 1 304.482 2.539 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414789941 428409624 /nfs/dbraw/zinc/40/96/24/428409624.db2.gz GATQNPJHFBCBPT-YGRLFVJLSA-N 2 1 313.239 2.675 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414789690 428410109 /nfs/dbraw/zinc/41/01/09/428410109.db2.gz YLXLOYLZSJRCFH-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414788404 428411457 /nfs/dbraw/zinc/41/14/57/428411457.db2.gz MHXXGHSWQIZTSV-UHFFFAOYSA-N 2 1 318.852 2.984 20 0 DFADMP CC(C)(C)c1ncc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414790629 428412404 /nfs/dbraw/zinc/41/24/04/428412404.db2.gz PVZRQDBTCYBAKC-CYBMUJFWSA-N 2 1 323.506 2.628 20 0 DFADMP CC(C)(C)c1ncc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414790629 428412409 /nfs/dbraw/zinc/41/24/09/428412409.db2.gz PVZRQDBTCYBAKC-CYBMUJFWSA-N 2 1 323.506 2.628 20 0 DFADMP CC[C@H](c1nc(C2(N)CCC2)no1)N(C)Cc1ccccc1 ZINC000414625054 428357821 /nfs/dbraw/zinc/35/78/21/428357821.db2.gz HYUYBJXQRYDOHS-CQSZACIVSA-N 2 1 300.406 2.991 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000346885684 428358156 /nfs/dbraw/zinc/35/81/56/428358156.db2.gz RWNWRBIPJSNNJO-INIZCTEOSA-N 2 1 319.493 2.791 20 0 DFADMP COC(=O)CCC[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371099361 428359376 /nfs/dbraw/zinc/35/93/76/428359376.db2.gz KOSFZTJKUULYOY-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371099361 428359381 /nfs/dbraw/zinc/35/93/81/428359381.db2.gz KOSFZTJKUULYOY-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371099361 428359388 /nfs/dbraw/zinc/35/93/88/428359388.db2.gz KOSFZTJKUULYOY-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP COCCCC[N@@H+](C)[C@H]1CCC[NH+](CCCCOC)CC1 ZINC000371097385 428360369 /nfs/dbraw/zinc/36/03/69/428360369.db2.gz BOCTTXDMXHBUSP-KRWDZBQOSA-N 2 1 300.487 2.626 20 0 DFADMP COCCCC[NH+](C)[C@H]1CCC[N@H+](CCCCOC)CC1 ZINC000371097385 428360376 /nfs/dbraw/zinc/36/03/76/428360376.db2.gz BOCTTXDMXHBUSP-KRWDZBQOSA-N 2 1 300.487 2.626 20 0 DFADMP COCCCC[NH+](C)[C@H]1CCC[N@@H+](CCCCOC)CC1 ZINC000371097385 428360378 /nfs/dbraw/zinc/36/03/78/428360378.db2.gz BOCTTXDMXHBUSP-KRWDZBQOSA-N 2 1 300.487 2.626 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414674464 428370379 /nfs/dbraw/zinc/37/03/79/428370379.db2.gz SAZIGPOVYFUIDD-PMPSAXMXSA-N 2 1 313.449 2.648 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414675265 428370828 /nfs/dbraw/zinc/37/08/28/428370828.db2.gz FNRRKTCYPFLKAB-HUUCEWRRSA-N 2 1 306.450 2.832 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)CC[NH2+]1 ZINC000414682638 428373875 /nfs/dbraw/zinc/37/38/75/428373875.db2.gz YUNUWNVTNRGDQF-CHWSQXEVSA-N 2 1 309.841 2.598 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC[NH2+]1 ZINC000414693715 428377774 /nfs/dbraw/zinc/37/77/74/428377774.db2.gz MXADPNLDBNGLCW-VYDXJSESSA-N 2 1 316.445 2.983 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000353081712 428379183 /nfs/dbraw/zinc/37/91/83/428379183.db2.gz OEPQHUVKVKGWIK-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353081712 428379188 /nfs/dbraw/zinc/37/91/88/428379188.db2.gz OEPQHUVKVKGWIK-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353081712 428379190 /nfs/dbraw/zinc/37/91/90/428379190.db2.gz OEPQHUVKVKGWIK-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353081712 428379196 /nfs/dbraw/zinc/37/91/96/428379196.db2.gz OEPQHUVKVKGWIK-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353081712 428379197 /nfs/dbraw/zinc/37/91/97/428379197.db2.gz OEPQHUVKVKGWIK-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357073387 428380014 /nfs/dbraw/zinc/38/00/14/428380014.db2.gz LMMIRYOPPGIWQJ-STQMWFEESA-N 2 1 314.351 2.626 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357073387 428380019 /nfs/dbraw/zinc/38/00/19/428380019.db2.gz LMMIRYOPPGIWQJ-STQMWFEESA-N 2 1 314.351 2.626 20 0 DFADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000414703730 428380255 /nfs/dbraw/zinc/38/02/55/428380255.db2.gz LVGJKELGKFQMBW-BRWVUGGUSA-N 2 1 318.461 2.927 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702398 428381813 /nfs/dbraw/zinc/38/18/13/428381813.db2.gz BJIVGDKPAZXEDY-BHIYHBOVSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414714287 428382969 /nfs/dbraw/zinc/38/29/69/428382969.db2.gz UZHIPTMFCPEHBN-CVEARBPZSA-N 2 1 310.445 2.619 20 0 DFADMP Cc1nnc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)s1 ZINC000378401840 428387293 /nfs/dbraw/zinc/38/72/93/428387293.db2.gz LEGQCVUETVTSLW-ZDUSSCGKSA-N 2 1 306.479 2.543 20 0 DFADMP Cc1nnc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)s1 ZINC000378401840 428387297 /nfs/dbraw/zinc/38/72/97/428387297.db2.gz LEGQCVUETVTSLW-ZDUSSCGKSA-N 2 1 306.479 2.543 20 0 DFADMP Cc1cccn2c(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)cnc12 ZINC000360790189 428439770 /nfs/dbraw/zinc/43/97/70/428439770.db2.gz BSTKEGZCDLQMCD-NXHRZFHOSA-N 2 1 310.445 2.559 20 0 DFADMP Clc1ccc2c(c1)C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)C2 ZINC000414872601 428440535 /nfs/dbraw/zinc/44/05/35/428440535.db2.gz FWBZSDXRDKWVQW-SFHVURJKSA-N 2 1 315.848 2.972 20 0 DFADMP [NH3+][C@@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000414888983 428446739 /nfs/dbraw/zinc/44/67/39/428446739.db2.gz FUYSXBFJULUQFZ-KRWDZBQOSA-N 2 1 306.413 2.852 20 0 DFADMP CN(C(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000378643507 428447538 /nfs/dbraw/zinc/44/75/38/428447538.db2.gz UKEMBLZCRZBAJJ-INIZCTEOSA-N 2 1 300.450 2.517 20 0 DFADMP C[C@@]1(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CCC[NH2+]C1 ZINC000414903057 428452707 /nfs/dbraw/zinc/45/27/07/428452707.db2.gz HWDKJXRWMBPYPS-GOSISDBHSA-N 2 1 316.424 2.550 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC2(C1)CCCCC2 ZINC000390117278 428470556 /nfs/dbraw/zinc/47/05/56/428470556.db2.gz MLVHGAAWYSRMPZ-ROUUACIJSA-N 2 1 302.462 2.574 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414907660 428453108 /nfs/dbraw/zinc/45/31/08/428453108.db2.gz QTWKWMRONICPIM-MRXNPFEDSA-N 2 1 302.397 2.552 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360822825 428454409 /nfs/dbraw/zinc/45/44/09/428454409.db2.gz SORVHYFWKDOMEH-OALUTQOASA-N 2 1 317.477 2.605 20 0 DFADMP c1ccc(C[NH+]2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000381477200 428454611 /nfs/dbraw/zinc/45/46/11/428454611.db2.gz AAGJLCQSBHKJCC-UHFFFAOYSA-N 2 1 301.478 2.584 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1C ZINC000353256395 428456025 /nfs/dbraw/zinc/45/60/25/428456025.db2.gz RBUBYNNWGHHTDT-KRWDZBQOSA-N 2 1 304.478 2.889 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1C ZINC000353256395 428456032 /nfs/dbraw/zinc/45/60/32/428456032.db2.gz RBUBYNNWGHHTDT-KRWDZBQOSA-N 2 1 304.478 2.889 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414929803 428458985 /nfs/dbraw/zinc/45/89/85/428458985.db2.gz PALLVZRSNQBODG-XJKSGUPXSA-N 2 1 321.440 2.911 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414925266 428459156 /nfs/dbraw/zinc/45/91/56/428459156.db2.gz IITISMCTAKYVIG-INIZCTEOSA-N 2 1 323.525 2.781 20 0 DFADMP C[N@H+](C[C@@H](O)c1cccc(Cl)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372595148 428470751 /nfs/dbraw/zinc/47/07/51/428470751.db2.gz YDAAODHRLSXCBN-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372595148 428470757 /nfs/dbraw/zinc/47/07/57/428470757.db2.gz YDAAODHRLSXCBN-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414937625 428463827 /nfs/dbraw/zinc/46/38/27/428463827.db2.gz HWMZIYMATIPQGD-UHFFFAOYSA-N 2 1 311.429 2.989 20 0 DFADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000414942928 428465914 /nfs/dbraw/zinc/46/59/14/428465914.db2.gz DUCKBAVCGUYBNY-XAOHYQHJSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414944853 428466995 /nfs/dbraw/zinc/46/69/95/428466995.db2.gz HLGSNUWDFIJJNK-PSBWJHGTSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000414948537 428467712 /nfs/dbraw/zinc/46/77/12/428467712.db2.gz MFYAXRYWKCDXIQ-MTEHYEEQSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000414948537 428467719 /nfs/dbraw/zinc/46/77/19/428467719.db2.gz MFYAXRYWKCDXIQ-MTEHYEEQSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC[NH2+]1 ZINC000414948537 428467723 /nfs/dbraw/zinc/46/77/23/428467723.db2.gz MFYAXRYWKCDXIQ-MTEHYEEQSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347035455 428415921 /nfs/dbraw/zinc/41/59/21/428415921.db2.gz GTNPVIQKVMFELB-OCCSQVGLSA-N 2 1 302.447 2.764 20 0 DFADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414803751 428416280 /nfs/dbraw/zinc/41/62/80/428416280.db2.gz WTTZJTFYYXWRSM-HNNXBMFYSA-N 2 1 306.841 2.813 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@@H]1C ZINC000360735203 428419073 /nfs/dbraw/zinc/41/90/73/428419073.db2.gz GPVHFDXIFPWLMO-DFFLPILJSA-N 2 1 317.458 2.522 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347040376 428420095 /nfs/dbraw/zinc/42/00/95/428420095.db2.gz KKCYRILBFWJVLZ-GJZGRUSLSA-N 2 1 305.441 2.985 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347040376 428420102 /nfs/dbraw/zinc/42/01/02/428420102.db2.gz KKCYRILBFWJVLZ-GJZGRUSLSA-N 2 1 305.441 2.985 20 0 DFADMP C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000347048015 428425176 /nfs/dbraw/zinc/42/51/76/428425176.db2.gz HRWRFZGNRXRIAQ-DOTOQJQBSA-N 2 1 310.869 2.517 20 0 DFADMP C[NH+](C[C@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000347048015 428425182 /nfs/dbraw/zinc/42/51/82/428425182.db2.gz HRWRFZGNRXRIAQ-DOTOQJQBSA-N 2 1 310.869 2.517 20 0 DFADMP C[NH+](C[C@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000347048015 428425185 /nfs/dbraw/zinc/42/51/85/428425185.db2.gz HRWRFZGNRXRIAQ-DOTOQJQBSA-N 2 1 310.869 2.517 20 0 DFADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414831558 428427074 /nfs/dbraw/zinc/42/70/74/428427074.db2.gz CLUQYRGEVINKOU-JKSUJKDBSA-N 2 1 308.466 2.988 20 0 DFADMP CCN(CC[C@@H]1CCCC[N@H+]1C)CC(=O)N1CCCCCC1 ZINC000353199656 428427607 /nfs/dbraw/zinc/42/76/07/428427607.db2.gz KMJAVFSFLMHVBD-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP COc1ccccc1-n1nccc1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414833380 428428227 /nfs/dbraw/zinc/42/82/27/428428227.db2.gz ARFIRMNLMAFCBS-UHFFFAOYSA-N 2 1 314.433 2.632 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000347057361 428428968 /nfs/dbraw/zinc/42/89/68/428428968.db2.gz VTKJZJIEQCFWGE-IAQYHMDHSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000347057361 428428971 /nfs/dbraw/zinc/42/89/71/428428971.db2.gz VTKJZJIEQCFWGE-IAQYHMDHSA-N 2 1 304.825 2.899 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCC(C)C ZINC000347056607 428430327 /nfs/dbraw/zinc/43/03/27/428430327.db2.gz VOTXXZCSEVLXJE-ZBFHGGJFSA-N 2 1 306.450 2.899 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)cc1OCC(C)C ZINC000347056607 428430334 /nfs/dbraw/zinc/43/03/34/428430334.db2.gz VOTXXZCSEVLXJE-ZBFHGGJFSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414950725 428470058 /nfs/dbraw/zinc/47/00/58/428470058.db2.gz GJRAGSWLFOQCMY-WMZOPIPTSA-N 2 1 303.494 2.732 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414950725 428470063 /nfs/dbraw/zinc/47/00/63/428470063.db2.gz GJRAGSWLFOQCMY-WMZOPIPTSA-N 3 1 303.494 2.732 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414950725 428470066 /nfs/dbraw/zinc/47/00/66/428470066.db2.gz GJRAGSWLFOQCMY-WMZOPIPTSA-N 3 1 303.494 2.732 20 0 DFADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414848554 428432033 /nfs/dbraw/zinc/43/20/33/428432033.db2.gz PYZWCGIUTCSTSX-JQWIXIFHSA-N 2 1 315.230 2.861 20 0 DFADMP FC(F)Oc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414994396 428483051 /nfs/dbraw/zinc/48/30/51/428483051.db2.gz DMDIDFDRVLPUBR-LLVKDONJSA-N 2 1 306.303 2.622 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000360896191 428484073 /nfs/dbraw/zinc/48/40/73/428484073.db2.gz DREWNZNICYQTSZ-DOMZBBRYSA-N 2 1 323.868 2.907 20 0 DFADMP c1ccc(OCCCCC[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000372671982 428484705 /nfs/dbraw/zinc/48/47/05/428484705.db2.gz FUQHFUHNIMSMKB-MJGOQNOKSA-N 2 1 318.461 2.689 20 0 DFADMP c1ccc(OCCCCC[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000372671982 428484712 /nfs/dbraw/zinc/48/47/12/428484712.db2.gz FUQHFUHNIMSMKB-MJGOQNOKSA-N 2 1 318.461 2.689 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000415002860 428485234 /nfs/dbraw/zinc/48/52/34/428485234.db2.gz MOOFVWKUQJKBIP-ZDUSSCGKSA-N 2 1 307.344 2.676 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002332 428485936 /nfs/dbraw/zinc/48/59/36/428485936.db2.gz MBUBKHUVTGAQRK-KGLIPLIRSA-N 3 1 322.522 2.517 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@H]([NH3+])C3)sc2C1 ZINC000415002332 428485944 /nfs/dbraw/zinc/48/59/44/428485944.db2.gz MBUBKHUVTGAQRK-KGLIPLIRSA-N 3 1 322.522 2.517 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347186594 428486817 /nfs/dbraw/zinc/48/68/17/428486817.db2.gz BZKARRGQAMMGHG-GOEBONIOSA-N 2 1 312.417 2.828 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415010507 428488001 /nfs/dbraw/zinc/48/80/01/428488001.db2.gz UZVNWCRYHBGSCF-LLVKDONJSA-N 2 1 301.406 2.745 20 0 DFADMP CCOc1cc(C[NH2+][C@@H](C)[C@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000415008277 428488332 /nfs/dbraw/zinc/48/83/32/428488332.db2.gz DNVZVWKVTXMJHS-QWRGUYRKSA-N 2 1 320.355 2.852 20 0 DFADMP c1cc(-c2ccccc2)sc1C[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000415031400 428493294 /nfs/dbraw/zinc/49/32/94/428493294.db2.gz DZXNASZVYBOLMR-OAHLLOKOSA-N 2 1 302.443 2.883 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1CC[NH2+]CC1 ZINC000347210085 428493800 /nfs/dbraw/zinc/49/38/00/428493800.db2.gz OQZKVWAUOKAALS-UHFFFAOYSA-N 2 1 306.360 2.539 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C1CC[NH2+]CC1 ZINC000347210085 428493803 /nfs/dbraw/zinc/49/38/03/428493803.db2.gz OQZKVWAUOKAALS-UHFFFAOYSA-N 2 1 306.360 2.539 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415042724 428497426 /nfs/dbraw/zinc/49/74/26/428497426.db2.gz VHZVUPBNSCEHLN-XNRPHZJLSA-N 2 1 303.450 2.991 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)cn1 ZINC000415041430 428497729 /nfs/dbraw/zinc/49/77/29/428497729.db2.gz LKIWTENLLLCINH-WMLDXEAASA-N 2 1 316.474 2.898 20 0 DFADMP CC(C)(C)n1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)nn1 ZINC000415047681 428498690 /nfs/dbraw/zinc/49/86/90/428498690.db2.gz FLIORVYRDMURAS-MRXNPFEDSA-N 2 1 301.438 2.603 20 0 DFADMP Fc1cncc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)c1 ZINC000347222070 428498730 /nfs/dbraw/zinc/49/87/30/428498730.db2.gz JPNJXEJJULEBJZ-OAHLLOKOSA-N 2 1 300.381 2.743 20 0 DFADMP C[N@@H+](C/C=C/c1ccc(Cl)cc1)C1CCN(CCO)CC1 ZINC000353359434 428500640 /nfs/dbraw/zinc/50/06/40/428500640.db2.gz ANYWYLQCAXXIMI-NSCUHMNNSA-N 2 1 308.853 2.742 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000396622656 428501989 /nfs/dbraw/zinc/50/19/89/428501989.db2.gz VGNBOPACNOYJAK-NEPXVJNWSA-N 2 1 301.478 2.770 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057357 428503081 /nfs/dbraw/zinc/50/30/81/428503081.db2.gz UADRGOHIBBPERQ-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415057357 428503086 /nfs/dbraw/zinc/50/30/86/428503086.db2.gz UADRGOHIBBPERQ-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415056590 428504970 /nfs/dbraw/zinc/50/49/70/428504970.db2.gz SMQAYDRNMHFTMD-DLBZAZTESA-N 2 1 302.466 2.502 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CCCC1 ZINC000415065245 428507129 /nfs/dbraw/zinc/50/71/29/428507129.db2.gz MMXUYHYFNWDTAX-KRWDZBQOSA-N 2 1 312.417 2.876 20 0 DFADMP C[C@@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000415060362 428507215 /nfs/dbraw/zinc/50/72/15/428507215.db2.gz WMLUDOGJXUTPRC-IVMQYODDSA-N 2 1 301.478 2.596 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415061741 428507801 /nfs/dbraw/zinc/50/78/01/428507801.db2.gz XDSSKVVVHBEFFS-PBFPGSCMSA-N 2 1 323.868 2.974 20 0 DFADMP CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1CCC[NH+](CC)CC ZINC000372947134 428508668 /nfs/dbraw/zinc/50/86/68/428508668.db2.gz JHHKRFGLANIGBT-SJORKVTESA-N 2 1 309.498 2.584 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000397377451 428510261 /nfs/dbraw/zinc/51/02/61/428510261.db2.gz DRGJAIVNWWKCHH-IKGGRYGDSA-N 2 1 317.477 2.733 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000397377451 428510264 /nfs/dbraw/zinc/51/02/64/428510264.db2.gz DRGJAIVNWWKCHH-IKGGRYGDSA-N 2 1 317.477 2.733 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071249 428510569 /nfs/dbraw/zinc/51/05/69/428510569.db2.gz WHMRLTMEROEIEZ-YOEHRIQHSA-N 2 1 303.450 2.819 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000415067026 428510911 /nfs/dbraw/zinc/51/09/11/428510911.db2.gz JWOBYIQEBHPFGD-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP COc1ccc([C@H](C[NH2+]CC(C)(C)[NH3+])N2CCCCC2)cc1 ZINC000415085632 428514800 /nfs/dbraw/zinc/51/48/00/428514800.db2.gz QMLKDOPRWBRMCC-KRWDZBQOSA-N 2 1 305.466 2.549 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H]2CCC[C@H]21 ZINC000353392374 428517478 /nfs/dbraw/zinc/51/74/78/428517478.db2.gz GIXFAAMXRQXSHF-CWRNSKLLSA-N 2 1 310.388 2.806 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000415097263 428517450 /nfs/dbraw/zinc/51/74/50/428517450.db2.gz CMDVZFFWBFEGPJ-QXAKKESOSA-N 2 1 319.468 2.898 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)ccc1F ZINC000415097260 428519288 /nfs/dbraw/zinc/51/92/88/428519288.db2.gz CMDVZFFWBFEGPJ-BHIYHBOVSA-N 2 1 319.468 2.898 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415100912 428519860 /nfs/dbraw/zinc/51/98/60/428519860.db2.gz AUJOYUJRZUCUGT-DZGCQCFKSA-N 2 1 314.433 2.502 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084371 428520206 /nfs/dbraw/zinc/52/02/06/428520206.db2.gz SXNMURRJYRLERS-WBVHZDCISA-N 2 1 317.477 2.531 20 0 DFADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000415101497 428520769 /nfs/dbraw/zinc/52/07/69/428520769.db2.gz BNPBKCJCVBPIDT-SJORKVTESA-N 2 1 310.388 2.683 20 0 DFADMP C[C@@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415104432 428522229 /nfs/dbraw/zinc/52/22/29/428522229.db2.gz GXHWHFYDFATVIZ-SWLSCSKDSA-N 2 1 316.367 2.859 20 0 DFADMP C[C@@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415104432 428522232 /nfs/dbraw/zinc/52/22/32/428522232.db2.gz GXHWHFYDFATVIZ-SWLSCSKDSA-N 2 1 316.367 2.859 20 0 DFADMP FC(F)(F)[C@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000415103746 428522629 /nfs/dbraw/zinc/52/26/29/428522629.db2.gz DABIVFMCGKMCII-KGLIPLIRSA-N 2 1 320.399 2.667 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415110313 428524647 /nfs/dbraw/zinc/52/46/47/428524647.db2.gz SMJVRQZXKRZRRK-OIISXLGYSA-N 2 1 304.434 2.657 20 0 DFADMP C[C@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025943 428528924 /nfs/dbraw/zinc/52/89/24/428528924.db2.gz PYSTUJLKIBBTOW-KSSFIOAISA-N 2 1 306.450 2.581 20 0 DFADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025943 428528928 /nfs/dbraw/zinc/52/89/28/428528928.db2.gz PYSTUJLKIBBTOW-KSSFIOAISA-N 2 1 306.450 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025943 428528935 /nfs/dbraw/zinc/52/89/35/428528935.db2.gz PYSTUJLKIBBTOW-KSSFIOAISA-N 2 1 306.450 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025943 428528939 /nfs/dbraw/zinc/52/89/39/428528939.db2.gz PYSTUJLKIBBTOW-KSSFIOAISA-N 2 1 306.450 2.581 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415125448 428530022 /nfs/dbraw/zinc/53/00/22/428530022.db2.gz LFNKHOOOGBBMTK-DZGCQCFKSA-N 2 1 322.449 2.519 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415125448 428530027 /nfs/dbraw/zinc/53/00/27/428530027.db2.gz LFNKHOOOGBBMTK-DZGCQCFKSA-N 2 1 322.449 2.519 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414954408 428471672 /nfs/dbraw/zinc/47/16/72/428471672.db2.gz KPWIZWIONQSCGT-YVEFUNNKSA-N 2 1 318.852 2.922 20 0 DFADMP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000390713752 428474351 /nfs/dbraw/zinc/47/43/51/428474351.db2.gz BLYCCROZWILKPL-VIQWUECVSA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+]C1CCC([NH2+]C[C@@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000390713752 428474355 /nfs/dbraw/zinc/47/43/55/428474355.db2.gz BLYCCROZWILKPL-VIQWUECVSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000390713751 428474425 /nfs/dbraw/zinc/47/44/25/428474425.db2.gz BLYCCROZWILKPL-LMDPOFIKSA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+]C1CCC([NH2+]C[C@H]2CCCN(Cc3ccccc3)C2)CC1 ZINC000390713751 428474429 /nfs/dbraw/zinc/47/44/29/428474429.db2.gz BLYCCROZWILKPL-LMDPOFIKSA-N 2 1 301.478 2.758 20 0 DFADMP CC[N@@H+]1C[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000343845104 428581140 /nfs/dbraw/zinc/58/11/40/428581140.db2.gz AIFHHHIXGLXYAB-BQFCYCMXSA-N 2 1 321.534 2.890 20 0 DFADMP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000343845104 428581145 /nfs/dbraw/zinc/58/11/45/428581145.db2.gz AIFHHHIXGLXYAB-BQFCYCMXSA-N 2 1 321.534 2.890 20 0 DFADMP CC[NH+]1C[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000343845104 428581149 /nfs/dbraw/zinc/58/11/49/428581149.db2.gz AIFHHHIXGLXYAB-BQFCYCMXSA-N 2 1 321.534 2.890 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347494687 428591706 /nfs/dbraw/zinc/59/17/06/428591706.db2.gz CFNQSDNSSIBDAG-UHFFFAOYSA-N 2 1 315.461 2.626 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCCO2 ZINC000361763357 428592497 /nfs/dbraw/zinc/59/24/97/428592497.db2.gz HRBRYWVLFFWJTL-JJRVBVJISA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCCO2 ZINC000361763357 428592502 /nfs/dbraw/zinc/59/25/02/428592502.db2.gz HRBRYWVLFFWJTL-JJRVBVJISA-N 2 1 304.434 2.981 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000415129314 428533078 /nfs/dbraw/zinc/53/30/78/428533078.db2.gz PEKSFAKZPRKCJT-TZMCWYRMSA-N 2 1 302.397 2.633 20 0 DFADMP C[C@@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]1 ZINC000399063185 428534180 /nfs/dbraw/zinc/53/41/80/428534180.db2.gz ZPIJLMAAJAMMDS-RNINOARNSA-N 2 1 313.489 2.912 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC(C)C ZINC000415134768 428534898 /nfs/dbraw/zinc/53/48/98/428534898.db2.gz WDGVBSLFAXYQRA-HOCLYGCPSA-N 2 1 306.450 2.899 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1OC(C)C ZINC000415134768 428534903 /nfs/dbraw/zinc/53/49/03/428534903.db2.gz WDGVBSLFAXYQRA-HOCLYGCPSA-N 2 1 306.450 2.899 20 0 DFADMP Fc1cccc(Cl)c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415138946 428535921 /nfs/dbraw/zinc/53/59/21/428535921.db2.gz WAGUTHGLHLSWPN-CJNGLKHVSA-N 2 1 324.827 2.680 20 0 DFADMP c1cc(C2CC2)ccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415142014 428537671 /nfs/dbraw/zinc/53/76/71/428537671.db2.gz QJKNAIFRJZLATQ-MOPGFXCFSA-N 2 1 312.457 2.764 20 0 DFADMP COCCSCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000373292750 428539774 /nfs/dbraw/zinc/53/97/74/428539774.db2.gz KQHVRGKWNSWMRF-INIZCTEOSA-N 2 1 300.512 2.564 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451533 428543734 /nfs/dbraw/zinc/54/37/34/428543734.db2.gz AGXSRLSDUHYKGL-HAGHYFMRSA-N 2 1 315.505 2.622 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451533 428543740 /nfs/dbraw/zinc/54/37/40/428543740.db2.gz AGXSRLSDUHYKGL-HAGHYFMRSA-N 2 1 315.505 2.622 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353451533 428543743 /nfs/dbraw/zinc/54/37/43/428543743.db2.gz AGXSRLSDUHYKGL-HAGHYFMRSA-N 2 1 315.505 2.622 20 0 DFADMP C[C@@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400758902 428548538 /nfs/dbraw/zinc/54/85/38/428548538.db2.gz XRYILYJTMLCWTA-ISARSNTHSA-N 2 1 301.478 2.627 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460271 428548881 /nfs/dbraw/zinc/54/88/81/428548881.db2.gz KQDPKXVKBSSYCX-WJFTUGDTSA-N 2 1 319.468 2.891 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347344767 428557674 /nfs/dbraw/zinc/55/76/74/428557674.db2.gz SFCXXGCSHIVOKJ-CVEARBPZSA-N 2 1 317.458 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)[C@H]1C=C[C@@H](CO)C1 ZINC000347344767 428557678 /nfs/dbraw/zinc/55/76/78/428557678.db2.gz SFCXXGCSHIVOKJ-CVEARBPZSA-N 2 1 317.458 2.692 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000353487083 428559746 /nfs/dbraw/zinc/55/97/46/428559746.db2.gz ZXQOELPHBYFGRB-KRWDZBQOSA-N 2 1 318.509 2.756 20 0 DFADMP CC(C)[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361350976 428560083 /nfs/dbraw/zinc/56/00/83/428560083.db2.gz JGHRRBYGLZZQQA-QZTJIDSGSA-N 2 1 323.525 2.734 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000353494659 428565740 /nfs/dbraw/zinc/56/57/40/428565740.db2.gz DIIXSUGJCOKNNL-JENIJYKNSA-N 2 1 310.445 2.835 20 0 DFADMP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@H]1CC[NH3+] ZINC000404356164 428569163 /nfs/dbraw/zinc/56/91/63/428569163.db2.gz LOXDLCXFWZHNSK-KSSFIOAISA-N 2 1 315.461 2.563 20 0 DFADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@H]1CC[NH3+] ZINC000404356164 428569165 /nfs/dbraw/zinc/56/91/65/428569165.db2.gz LOXDLCXFWZHNSK-KSSFIOAISA-N 2 1 315.461 2.563 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522960 428574135 /nfs/dbraw/zinc/57/41/35/428574135.db2.gz SZAZQMUDYZOOFA-QZTJIDSGSA-N 2 1 317.477 2.623 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353518517 428575333 /nfs/dbraw/zinc/57/53/33/428575333.db2.gz LFOQXWMPTDHURX-RDGPPVDQSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353518518 428576107 /nfs/dbraw/zinc/57/61/07/428576107.db2.gz LFOQXWMPTDHURX-YRXWBPOGSA-N 2 1 302.462 2.963 20 0 DFADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353526551 428577572 /nfs/dbraw/zinc/57/75/72/428577572.db2.gz AZWQFNHLSJDISW-ICUGJSFKSA-N 2 1 321.509 2.532 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000358349273 428597000 /nfs/dbraw/zinc/59/70/00/428597000.db2.gz DNLMNNXVYJPNBC-BQFCYCMXSA-N 2 1 313.445 2.701 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000358349273 428597005 /nfs/dbraw/zinc/59/70/05/428597005.db2.gz DNLMNNXVYJPNBC-BQFCYCMXSA-N 2 1 313.445 2.701 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC2)n1 ZINC000353567385 428597605 /nfs/dbraw/zinc/59/76/05/428597605.db2.gz NVANYIOFWCQRSF-CYBMUJFWSA-N 2 1 310.511 2.739 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC2)n1 ZINC000353567385 428597610 /nfs/dbraw/zinc/59/76/10/428597610.db2.gz NVANYIOFWCQRSF-CYBMUJFWSA-N 2 1 310.511 2.739 20 0 DFADMP CC(C)[NH+]1CCC(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000343996868 428601944 /nfs/dbraw/zinc/60/19/44/428601944.db2.gz UFLDLXWHJSJNHL-KRWDZBQOSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)CN(C)Cc2ccccc2)CC1 ZINC000343996868 428601947 /nfs/dbraw/zinc/60/19/47/428601947.db2.gz UFLDLXWHJSJNHL-KRWDZBQOSA-N 2 1 303.494 2.969 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000373564304 428606681 /nfs/dbraw/zinc/60/66/81/428606681.db2.gz XZFPVLIBLSPEES-HLLBOEOZSA-N 2 1 316.445 2.908 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353587546 428608978 /nfs/dbraw/zinc/60/89/78/428608978.db2.gz ZXAZXTNHGSQZQL-JYJNAYRXSA-N 2 1 320.506 2.574 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H]2CCC[C@@H]21 ZINC000353611816 428619062 /nfs/dbraw/zinc/61/90/62/428619062.db2.gz FRLWAEZYGCOJMD-SQNIBIBYSA-N 2 1 315.461 2.975 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415956920 428634615 /nfs/dbraw/zinc/63/46/15/428634615.db2.gz LKSPDTHGWFBIAM-QGZVFWFLSA-N 2 1 318.465 2.777 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1C ZINC000415903586 428623430 /nfs/dbraw/zinc/62/34/30/428623430.db2.gz AHSSXDRBKQBNJK-GDBMZVCRSA-N 2 1 318.465 2.743 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)C ZINC000358681394 428624876 /nfs/dbraw/zinc/62/48/76/428624876.db2.gz HTQSJFZZQNWDOG-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NCCCCn2cc[nH+]c2C)c1 ZINC000415924505 428628819 /nfs/dbraw/zinc/62/88/19/428628819.db2.gz YOTKJQLQXGDQAE-UHFFFAOYSA-N 2 1 315.421 2.513 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000415939557 428632590 /nfs/dbraw/zinc/63/25/90/428632590.db2.gz CJTSNSUJNBAHRY-MRXNPFEDSA-N 2 1 318.465 2.505 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000415943374 428633116 /nfs/dbraw/zinc/63/31/16/428633116.db2.gz LPJAUGBCOYAFGS-CVEARBPZSA-N 2 1 316.449 2.544 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000415943378 428633873 /nfs/dbraw/zinc/63/38/73/428633873.db2.gz LPJAUGBCOYAFGS-JKSUJKDBSA-N 2 1 316.449 2.544 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000415973916 428639237 /nfs/dbraw/zinc/63/92/37/428639237.db2.gz PREOOYDJMYJOES-HUUCEWRRSA-N 2 1 318.465 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358722943 428640635 /nfs/dbraw/zinc/64/06/35/428640635.db2.gz LKWZEJBIGSLATK-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358722943 428640640 /nfs/dbraw/zinc/64/06/40/428640640.db2.gz LKWZEJBIGSLATK-BWPNAZKDSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358722943 428640646 /nfs/dbraw/zinc/64/06/46/428640646.db2.gz LKWZEJBIGSLATK-BWPNAZKDSA-N 3 1 315.505 2.969 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000415960263 428636293 /nfs/dbraw/zinc/63/62/93/428636293.db2.gz UUGWZUPTPLMACL-UHFFFAOYSA-N 2 1 318.465 2.792 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(C)C[C@H]2C)cc1)C(C)C ZINC000344403713 428636450 /nfs/dbraw/zinc/63/64/50/428636450.db2.gz AOXKGDCEEPVPRG-MRXNPFEDSA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000344403713 428636457 /nfs/dbraw/zinc/63/64/57/428636457.db2.gz AOXKGDCEEPVPRG-MRXNPFEDSA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000344403713 428636462 /nfs/dbraw/zinc/63/64/62/428636462.db2.gz AOXKGDCEEPVPRG-MRXNPFEDSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1)C(C)C ZINC000344403713 428636468 /nfs/dbraw/zinc/63/64/68/428636468.db2.gz AOXKGDCEEPVPRG-MRXNPFEDSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1)C(C)C ZINC000344403713 428636473 /nfs/dbraw/zinc/63/64/73/428636473.db2.gz AOXKGDCEEPVPRG-MRXNPFEDSA-N 2 1 317.477 2.693 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CCO2 ZINC000274390854 274133706 /nfs/dbraw/zinc/13/37/06/274133706.db2.gz OKPDPJKLDZWTNO-MGBSGCIJSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CCO2 ZINC000274390854 274133707 /nfs/dbraw/zinc/13/37/07/274133707.db2.gz OKPDPJKLDZWTNO-MGBSGCIJSA-N 2 1 304.434 2.837 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000361921183 274336090 /nfs/dbraw/zinc/33/60/90/274336090.db2.gz AHIDWPAUQKMCLS-UKPHBRMFSA-N 2 1 307.869 2.849 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000361921183 274336091 /nfs/dbraw/zinc/33/60/91/274336091.db2.gz AHIDWPAUQKMCLS-UKPHBRMFSA-N 2 1 307.869 2.849 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167481061 274339832 /nfs/dbraw/zinc/33/98/32/274339832.db2.gz CQXJHWSMZOMVMV-UMPJEAMMSA-N 2 1 323.431 2.862 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252237 428674690 /nfs/dbraw/zinc/67/46/90/428674690.db2.gz WIAPZLNKQFAEHL-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252237 428674693 /nfs/dbraw/zinc/67/46/93/428674693.db2.gz WIAPZLNKQFAEHL-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252237 428674696 /nfs/dbraw/zinc/67/46/96/428674696.db2.gz WIAPZLNKQFAEHL-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000246947559 274392466 /nfs/dbraw/zinc/39/24/66/274392466.db2.gz HXXGADDQAFIHTP-INMHGKMJSA-N 2 1 305.441 2.724 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnn(CCOC)c1 ZINC000344773491 428707055 /nfs/dbraw/zinc/70/70/55/428707055.db2.gz NSDOLGXFGWSDCA-ZWKOTPCHSA-N 2 1 322.497 2.520 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000374593590 428708005 /nfs/dbraw/zinc/70/80/05/428708005.db2.gz JNNRWCCFLOLCSH-KRWDZBQOSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2ccc(F)cc2)C1 ZINC000374593590 428708011 /nfs/dbraw/zinc/70/80/11/428708011.db2.gz JNNRWCCFLOLCSH-KRWDZBQOSA-N 2 1 303.381 2.874 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@H](C)C1 ZINC000348326286 428708260 /nfs/dbraw/zinc/70/82/60/428708260.db2.gz MMQFGGQWEZKCEJ-CVEARBPZSA-N 2 1 300.462 2.995 20 0 DFADMP COCCc1nc(C)c([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000362343960 428712154 /nfs/dbraw/zinc/71/21/54/428712154.db2.gz XFCXPTFHPUJMNS-AEGPPILISA-N 2 1 323.506 2.918 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000362343960 428712160 /nfs/dbraw/zinc/71/21/60/428712160.db2.gz XFCXPTFHPUJMNS-AEGPPILISA-N 2 1 323.506 2.918 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000362343960 428712162 /nfs/dbraw/zinc/71/21/62/428712162.db2.gz XFCXPTFHPUJMNS-AEGPPILISA-N 2 1 323.506 2.918 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000348374807 428723043 /nfs/dbraw/zinc/72/30/43/428723043.db2.gz ACQFYUFBGSHKMM-KKUMJFAQSA-N 2 1 308.853 2.632 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC000353818352 428732172 /nfs/dbraw/zinc/73/21/72/428732172.db2.gz PAIZSIJVEOPQHD-NRFANRHFSA-N 2 1 308.491 2.529 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416163551 428680479 /nfs/dbraw/zinc/68/04/79/428680479.db2.gz YFPXUXRXKQLWHU-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1nccn1CCCC[N@@H+](CCCO)Cc1ccccc1 ZINC000348257774 428681234 /nfs/dbraw/zinc/68/12/34/428681234.db2.gz SOVRQHCOVIVJAX-UHFFFAOYSA-N 2 1 301.434 2.856 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](CCCO)Cc1ccccc1 ZINC000348257774 428681240 /nfs/dbraw/zinc/68/12/40/428681240.db2.gz SOVRQHCOVIVJAX-UHFFFAOYSA-N 2 1 301.434 2.856 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](CCCO)Cc1ccccc1 ZINC000348257774 428681245 /nfs/dbraw/zinc/68/12/45/428681245.db2.gz SOVRQHCOVIVJAX-UHFFFAOYSA-N 2 1 301.434 2.856 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000348262030 428681464 /nfs/dbraw/zinc/68/14/64/428681464.db2.gz HZDZAOSDNFLQQH-UXHICEINSA-N 2 1 315.505 2.797 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416171679 428681577 /nfs/dbraw/zinc/68/15/77/428681577.db2.gz RMRFXNSUNXOAKW-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416171582 428681696 /nfs/dbraw/zinc/68/16/96/428681696.db2.gz RBPJNSMPFLZXJP-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000344686347 428692956 /nfs/dbraw/zinc/69/29/56/428692956.db2.gz CAKIGFUBFDDHAJ-KRWDZBQOSA-N 2 1 317.477 2.598 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000344691574 428693610 /nfs/dbraw/zinc/69/36/10/428693610.db2.gz ZCVBNEXUPUJPEI-ZFWWWQNUSA-N 2 1 322.449 2.675 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000344691574 428693613 /nfs/dbraw/zinc/69/36/13/428693613.db2.gz ZCVBNEXUPUJPEI-ZFWWWQNUSA-N 2 1 322.449 2.675 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232674 428695640 /nfs/dbraw/zinc/69/56/40/428695640.db2.gz GLKOECDYALDUEP-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP CC(CC[NH+]1CCOCC1(C)C)CC[N@H+]1CCOCC1(C)C ZINC000411184003 428753125 /nfs/dbraw/zinc/75/31/25/428753125.db2.gz JYBIZWXCRJRQOJ-UHFFFAOYSA-N 2 1 312.498 2.624 20 0 DFADMP c1ccc2c(c1)CCCN2CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362467131 428759341 /nfs/dbraw/zinc/75/93/41/428759341.db2.gz QVTYHNMFFRNLJW-SFHVURJKSA-N 2 1 313.489 2.857 20 0 DFADMP Cc1nnc([C@@H](C)N2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000374862624 428768578 /nfs/dbraw/zinc/76/85/78/428768578.db2.gz LWROCFIIQRDYOI-LLVKDONJSA-N 2 1 305.451 2.596 20 0 DFADMP CC[C@@H]1COCC[NH+]1CC[C@@H](C)CC[N@@H+]1CCOC[C@@H]1CC ZINC000411277180 428769954 /nfs/dbraw/zinc/76/99/54/428769954.db2.gz VQRMBMFNEANQMG-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@@H]1COCC[N@H+]1CC[C@@H](C)CC[NH+]1CCOC[C@@H]1CC ZINC000411277180 428769956 /nfs/dbraw/zinc/76/99/56/428769956.db2.gz VQRMBMFNEANQMG-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@@H]1COCC[N@@H+]1CC[C@@H](C)CC[NH+]1CCOC[C@@H]1CC ZINC000411277180 428769958 /nfs/dbraw/zinc/76/99/58/428769958.db2.gz VQRMBMFNEANQMG-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](CC[NH+]1[C@H](C)COC[C@H]1C)CC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000411279761 428770663 /nfs/dbraw/zinc/77/06/63/428770663.db2.gz CPOQESGOWCNVNE-ZKXLYKBJSA-N 2 1 312.498 2.621 20 0 DFADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[C@H]1O ZINC000348542888 428779481 /nfs/dbraw/zinc/77/94/81/428779481.db2.gz DZJCXBTZJSUOTH-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[C@H]1O ZINC000348542888 428779487 /nfs/dbraw/zinc/77/94/87/428779487.db2.gz DZJCXBTZJSUOTH-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@H]1CCC[C@H]1O ZINC000348542888 428779490 /nfs/dbraw/zinc/77/94/90/428779490.db2.gz DZJCXBTZJSUOTH-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000348542888 428779495 /nfs/dbraw/zinc/77/94/95/428779495.db2.gz DZJCXBTZJSUOTH-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[C@H]1O ZINC000348542883 428781227 /nfs/dbraw/zinc/78/12/27/428781227.db2.gz DZJCXBTZJSUOTH-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[C@H]1O ZINC000348542883 428781228 /nfs/dbraw/zinc/78/12/28/428781228.db2.gz DZJCXBTZJSUOTH-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000348542883 428781230 /nfs/dbraw/zinc/78/12/30/428781230.db2.gz DZJCXBTZJSUOTH-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000348542883 428781234 /nfs/dbraw/zinc/78/12/34/428781234.db2.gz DZJCXBTZJSUOTH-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000353933834 428783621 /nfs/dbraw/zinc/78/36/21/428783621.db2.gz WMWSPQFCYCXPJF-NDUQDZPOSA-N 2 1 308.466 2.715 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000353933834 428783625 /nfs/dbraw/zinc/78/36/25/428783625.db2.gz WMWSPQFCYCXPJF-NDUQDZPOSA-N 2 1 308.466 2.715 20 0 DFADMP C[C@@H]1C[C@H]1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348561783 428788033 /nfs/dbraw/zinc/78/80/33/428788033.db2.gz YAOQXGCLVUDRDA-YZGWKJHDSA-N 2 1 313.489 2.535 20 0 DFADMP Cc1noc(C2(C)CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000374752108 428746494 /nfs/dbraw/zinc/74/64/94/428746494.db2.gz RAQGATAXMPRQSI-UHFFFAOYSA-N 2 1 317.437 2.717 20 0 DFADMP CCCc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c1 ZINC000358955241 428747796 /nfs/dbraw/zinc/74/77/96/428747796.db2.gz PYJNKVIOYAUUPL-LJQANCHMSA-N 2 1 304.478 2.822 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000354065521 428845474 /nfs/dbraw/zinc/84/54/74/428845474.db2.gz RBYZGEOXUKUIFB-KBAYOESNSA-N 2 1 323.525 2.780 20 0 DFADMP OC[C@@]1(F)CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411730781 428850407 /nfs/dbraw/zinc/85/04/07/428850407.db2.gz PFCQPASYHWBHLJ-LJQANCHMSA-N 2 1 320.452 2.969 20 0 DFADMP OC[C@@]1(F)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411730781 428850412 /nfs/dbraw/zinc/85/04/12/428850412.db2.gz PFCQPASYHWBHLJ-LJQANCHMSA-N 2 1 320.452 2.969 20 0 DFADMP Cc1ccn2c(CN3CC[C@H](C[N@@H+](C)CC4CC4)C3)cnc2c1 ZINC000354076982 428850983 /nfs/dbraw/zinc/85/09/83/428850983.db2.gz BDRXKYXVLOHVRF-QGZVFWFLSA-N 2 1 312.461 2.806 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411424757 428797753 /nfs/dbraw/zinc/79/77/53/428797753.db2.gz NQEVYSYXPWYKJI-RTBURBONSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)[NH+](C)C ZINC000362806357 428806827 /nfs/dbraw/zinc/80/68/27/428806827.db2.gz NHHUAUPTOYIPCI-AEFFLSMTSA-N 2 1 303.494 2.827 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000353988858 428808107 /nfs/dbraw/zinc/80/81/07/428808107.db2.gz YHWMLOPSDHAVDZ-GVDBMIGSSA-N 2 1 304.482 2.910 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000353988858 428808110 /nfs/dbraw/zinc/80/81/10/428808110.db2.gz YHWMLOPSDHAVDZ-GVDBMIGSSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411510697 428808744 /nfs/dbraw/zinc/80/87/44/428808744.db2.gz GYSNMSQBHIFNFW-ZHRRBRCNSA-N 2 1 322.518 2.871 20 0 DFADMP Cc1nnc([C@H](C)N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC000411554722 428817488 /nfs/dbraw/zinc/81/74/88/428817488.db2.gz UKHZEEGTHRBDEO-KEYYUXOJSA-N 2 1 313.449 2.674 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccccc1 ZINC000354010710 428819422 /nfs/dbraw/zinc/81/94/22/428819422.db2.gz YAPLNFIWGBTRAU-WMZOPIPTSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117263 428825458 /nfs/dbraw/zinc/82/54/58/428825458.db2.gz SFRMQAJNIVDHAN-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117263 428825464 /nfs/dbraw/zinc/82/54/64/428825464.db2.gz SFRMQAJNIVDHAN-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117263 428825470 /nfs/dbraw/zinc/82/54/70/428825470.db2.gz SFRMQAJNIVDHAN-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP COCCC[N@@H+](CCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411615670 428825683 /nfs/dbraw/zinc/82/56/83/428825683.db2.gz RUZJMEWVXDZHSX-UHFFFAOYSA-N 2 1 320.477 2.503 20 0 DFADMP Cc1nc2ccccc2n1CCc1noc(C[N@@H+](C)C(C)C)n1 ZINC000359130423 428833033 /nfs/dbraw/zinc/83/30/33/428833033.db2.gz LMNIMXVQNIGGIZ-UHFFFAOYSA-N 2 1 313.405 2.811 20 0 DFADMP Cc1nc2ccccc2n1CCc1noc(C[N@H+](C)C(C)C)n1 ZINC000359130423 428833037 /nfs/dbraw/zinc/83/30/37/428833037.db2.gz LMNIMXVQNIGGIZ-UHFFFAOYSA-N 2 1 313.405 2.811 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000354062587 428843118 /nfs/dbraw/zinc/84/31/18/428843118.db2.gz BFXUOMVIGJOLTR-KRWDZBQOSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059421 428908721 /nfs/dbraw/zinc/90/87/21/428908721.db2.gz BMDHZSGKWGWSHM-QAPCUYQASA-N 2 1 319.493 2.861 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059421 428908727 /nfs/dbraw/zinc/90/87/27/428908727.db2.gz BMDHZSGKWGWSHM-QAPCUYQASA-N 2 1 319.493 2.861 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000354083064 428854004 /nfs/dbraw/zinc/85/40/04/428854004.db2.gz MVOOJVROTQRJRM-KRWDZBQOSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000354083064 428854007 /nfs/dbraw/zinc/85/40/07/428854007.db2.gz MVOOJVROTQRJRM-KRWDZBQOSA-N 2 1 312.404 2.898 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCC2CC[NH2+]CC2)c(C)c1 ZINC000359196632 428861751 /nfs/dbraw/zinc/86/17/51/428861751.db2.gz UVYJWNNVAVJRDA-UHFFFAOYSA-N 2 1 317.477 2.872 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000354102226 428862439 /nfs/dbraw/zinc/86/24/39/428862439.db2.gz ZBLFZMWJXZZFCQ-JTSKRJEESA-N 2 1 320.502 2.588 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000354106028 428865179 /nfs/dbraw/zinc/86/51/79/428865179.db2.gz GRYDLYCXPQPJOQ-INIZCTEOSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000354106028 428865184 /nfs/dbraw/zinc/86/51/84/428865184.db2.gz GRYDLYCXPQPJOQ-INIZCTEOSA-N 2 1 312.404 2.898 20 0 DFADMP CC1(C)C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000417893144 428870414 /nfs/dbraw/zinc/87/04/14/428870414.db2.gz DVZLZNCQJVWEIS-MSOLQXFVSA-N 2 1 302.462 2.708 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1 ZINC000359222957 428872599 /nfs/dbraw/zinc/87/25/99/428872599.db2.gz ZBFIPFMPRDAYMP-IBGZPJMESA-N 2 1 301.478 2.977 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(OC)nc2C)C1 ZINC000359229679 428878467 /nfs/dbraw/zinc/87/84/67/428878467.db2.gz RCUNJBFQBMPFSM-MRXNPFEDSA-N 2 1 305.466 2.871 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(C)cc(OC)nc2C)C1 ZINC000359229679 428878470 /nfs/dbraw/zinc/87/84/70/428878470.db2.gz RCUNJBFQBMPFSM-MRXNPFEDSA-N 2 1 305.466 2.871 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000359229679 428878475 /nfs/dbraw/zinc/87/84/75/428878475.db2.gz RCUNJBFQBMPFSM-MRXNPFEDSA-N 2 1 305.466 2.871 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000359229679 428878479 /nfs/dbraw/zinc/87/84/79/428878479.db2.gz RCUNJBFQBMPFSM-MRXNPFEDSA-N 2 1 305.466 2.871 20 0 DFADMP COC(=O)c1cccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)c1 ZINC000348937868 428880288 /nfs/dbraw/zinc/88/02/88/428880288.db2.gz WOTWWXQHYNRHPD-UHFFFAOYSA-N 2 1 304.434 2.826 20 0 DFADMP OC[C@]1(Cc2ccccc2)CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000375470847 428891216 /nfs/dbraw/zinc/89/12/16/428891216.db2.gz QRSNWZYKARHHTQ-LJQANCHMSA-N 2 1 302.462 2.542 20 0 DFADMP CCCn1nc(C)c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000354166505 428894326 /nfs/dbraw/zinc/89/43/26/428894326.db2.gz LNEVNZHSIUPYJC-SFHVURJKSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000354166505 428894328 /nfs/dbraw/zinc/89/43/28/428894328.db2.gz LNEVNZHSIUPYJC-SFHVURJKSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1C ZINC000354166505 428894331 /nfs/dbraw/zinc/89/43/31/428894331.db2.gz LNEVNZHSIUPYJC-SFHVURJKSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000354166505 428894334 /nfs/dbraw/zinc/89/43/34/428894334.db2.gz LNEVNZHSIUPYJC-SFHVURJKSA-N 2 1 304.482 2.828 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176759 428899099 /nfs/dbraw/zinc/89/90/99/428899099.db2.gz LTYHDROLAULHOI-KRWDZBQOSA-N 2 1 316.474 2.852 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176759 428899108 /nfs/dbraw/zinc/89/91/08/428899108.db2.gz LTYHDROLAULHOI-KRWDZBQOSA-N 2 1 316.474 2.852 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176759 428899111 /nfs/dbraw/zinc/89/91/11/428899111.db2.gz LTYHDROLAULHOI-KRWDZBQOSA-N 2 1 316.474 2.852 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnc(N)c2)[C@H]1c1ccccc1 ZINC000375493105 428900930 /nfs/dbraw/zinc/90/09/30/428900930.db2.gz GTJFZEGQCXDWBW-IEBWSBKVSA-N 2 1 310.445 2.837 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3c(cccc3C)n2)C[C@@H]1C ZINC000354202026 428912634 /nfs/dbraw/zinc/91/26/34/428912634.db2.gz CZSGVNWXBQERBK-DOTOQJQBSA-N 2 1 300.450 2.947 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000359310599 428913966 /nfs/dbraw/zinc/91/39/66/428913966.db2.gz JVACDXWTKGXPEH-ZCNNSNEGSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000359310599 428913971 /nfs/dbraw/zinc/91/39/71/428913971.db2.gz JVACDXWTKGXPEH-ZCNNSNEGSA-N 2 1 314.473 2.792 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000363460087 428919706 /nfs/dbraw/zinc/91/97/06/428919706.db2.gz WPNDWIWCQVMUHQ-INIZCTEOSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2ccnn2C)C1 ZINC000363460087 428919709 /nfs/dbraw/zinc/91/97/09/428919709.db2.gz WPNDWIWCQVMUHQ-INIZCTEOSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000363459775 428919724 /nfs/dbraw/zinc/91/97/24/428919724.db2.gz RNRZKOALYZMGJR-CQSZACIVSA-N 2 1 310.873 2.546 20 0 DFADMP CCc1nccc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000363459313 428920088 /nfs/dbraw/zinc/92/00/88/428920088.db2.gz KBTOOTWNNBZGKK-CVEARBPZSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000363459313 428920090 /nfs/dbraw/zinc/92/00/90/428920090.db2.gz KBTOOTWNNBZGKK-CVEARBPZSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000363459313 428920096 /nfs/dbraw/zinc/92/00/96/428920096.db2.gz KBTOOTWNNBZGKK-CVEARBPZSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000363459313 428920099 /nfs/dbraw/zinc/92/00/99/428920099.db2.gz KBTOOTWNNBZGKK-CVEARBPZSA-N 2 1 302.466 2.703 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccncc3)C2)nc(C)[nH+]1 ZINC000377629513 274705590 /nfs/dbraw/zinc/70/55/90/274705590.db2.gz CKPTZVIKSHXSBX-YOEHRIQHSA-N 2 1 311.433 2.808 20 0 DFADMP CCOC(=O)c1coc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349195593 428937077 /nfs/dbraw/zinc/93/70/77/428937077.db2.gz SUDVMZUIJJZLSO-OAHLLOKOSA-N 2 1 320.433 2.620 20 0 DFADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375673341 428938657 /nfs/dbraw/zinc/93/86/57/428938657.db2.gz FPODCWWEHKMPFV-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375673341 428938661 /nfs/dbraw/zinc/93/86/61/428938661.db2.gz FPODCWWEHKMPFV-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375673341 428938664 /nfs/dbraw/zinc/93/86/64/428938664.db2.gz FPODCWWEHKMPFV-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@@H]2CCC[C@H]21 ZINC000375788564 428971866 /nfs/dbraw/zinc/97/18/66/428971866.db2.gz JAYQVJDCYSWUNS-MELADBBJSA-N 2 1 311.376 2.645 20 0 DFADMP Nc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314877 428956774 /nfs/dbraw/zinc/95/67/74/428956774.db2.gz RBMWCIZJXSZDAL-RTBURBONSA-N 2 1 324.472 2.836 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000375752906 428960696 /nfs/dbraw/zinc/96/06/96/428960696.db2.gz HBJMWROPXOPLME-GBESFXJTSA-N 2 1 324.472 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000375751144 428961301 /nfs/dbraw/zinc/96/13/01/428961301.db2.gz QHVCWPLQWNTOMP-CZUORRHYSA-N 2 1 304.463 2.573 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000375751144 428961304 /nfs/dbraw/zinc/96/13/04/428961304.db2.gz QHVCWPLQWNTOMP-CZUORRHYSA-N 2 1 304.463 2.573 20 0 DFADMP CN(C[C@@H](O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765433 428966035 /nfs/dbraw/zinc/96/60/35/428966035.db2.gz VTGCRJHMPGGQGC-FCLJQHQZSA-N 2 1 308.853 2.930 20 0 DFADMP C[N@H+](C[C@@H](O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765433 428966037 /nfs/dbraw/zinc/96/60/37/428966037.db2.gz VTGCRJHMPGGQGC-FCLJQHQZSA-N 2 1 308.853 2.930 20 0 DFADMP C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765433 428966040 /nfs/dbraw/zinc/96/60/40/428966040.db2.gz VTGCRJHMPGGQGC-FCLJQHQZSA-N 2 1 308.853 2.930 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000423549680 428972385 /nfs/dbraw/zinc/97/23/85/428972385.db2.gz HYRUPKFWABMTPE-ZBFHGGJFSA-N 2 1 306.450 2.675 20 0 DFADMP Cc1ccc(CC[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000363681211 428968620 /nfs/dbraw/zinc/96/86/20/428968620.db2.gz USHFLCGTBSHARH-GOSISDBHSA-N 2 1 315.505 2.638 20 0 DFADMP CCc1oc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1C(=O)OC ZINC000349359222 428968829 /nfs/dbraw/zinc/96/88/29/428968829.db2.gz ZGQCNSROQABDIH-UHFFFAOYSA-N 2 1 319.405 2.656 20 0 DFADMP CCc1oc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1C(=O)OC ZINC000349359222 428968835 /nfs/dbraw/zinc/96/88/35/428968835.db2.gz ZGQCNSROQABDIH-UHFFFAOYSA-N 2 1 319.405 2.656 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)cc1OC ZINC000423549679 428970924 /nfs/dbraw/zinc/97/09/24/428970924.db2.gz HYRUPKFWABMTPE-HOCLYGCPSA-N 2 1 306.450 2.675 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549123 428971005 /nfs/dbraw/zinc/97/10/05/428971005.db2.gz HJPXQJXZVUXWQX-FXAWDEMLSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549123 428971013 /nfs/dbraw/zinc/97/10/13/428971013.db2.gz HJPXQJXZVUXWQX-FXAWDEMLSA-N 3 1 313.489 2.796 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423797558 429022392 /nfs/dbraw/zinc/02/23/92/429022392.db2.gz HXVLVSPADVOSPO-JQHSSLGASA-N 2 1 317.477 2.559 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000375946191 429024092 /nfs/dbraw/zinc/02/40/92/429024092.db2.gz GMJQFTGPVZEMCO-HNNXBMFYSA-N 2 1 321.428 2.934 20 0 DFADMP CC(C)OCCOC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000451951922 429025367 /nfs/dbraw/zinc/02/53/67/429025367.db2.gz DWEBVDPUEWAFHV-KRWDZBQOSA-N 2 1 312.498 2.767 20 0 DFADMP Fc1cc2cccnc2c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000375950822 429025969 /nfs/dbraw/zinc/02/59/69/429025969.db2.gz ZDICKRFASZUQEU-ZDUSSCGKSA-N 2 1 310.376 2.923 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCSCC1 ZINC000355131538 429030936 /nfs/dbraw/zinc/03/09/36/429030936.db2.gz ZINZTMGUSYJFKN-GJZGRUSLSA-N 2 1 300.512 2.609 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCSCC1 ZINC000355131538 429030939 /nfs/dbraw/zinc/03/09/39/429030939.db2.gz ZINZTMGUSYJFKN-GJZGRUSLSA-N 2 1 300.512 2.609 20 0 DFADMP Clc1ccc2ncc(C[N@H+]3CCS[C@H]4COCC[C@@H]43)n2c1 ZINC000355111128 429031270 /nfs/dbraw/zinc/03/12/70/429031270.db2.gz NERRAPXAJNILIY-KBPBESRZSA-N 2 1 323.849 2.694 20 0 DFADMP C[C@H]([NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000423574408 428974307 /nfs/dbraw/zinc/97/43/07/428974307.db2.gz PKOQMPZPVKIDSW-INIZCTEOSA-N 2 1 313.445 2.924 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1C(C)(C)C1(C)C ZINC000354335554 428974743 /nfs/dbraw/zinc/97/47/43/428974743.db2.gz SKBQNKVJBYYSLW-OAHLLOKOSA-N 2 1 309.542 2.920 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccccc2F)CC1 ZINC000375837247 428991687 /nfs/dbraw/zinc/99/16/87/428991687.db2.gz GBYCKWVQVKCAOT-INIZCTEOSA-N 2 1 305.441 2.822 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccccc2F)CC1 ZINC000375837247 428991691 /nfs/dbraw/zinc/99/16/91/428991691.db2.gz GBYCKWVQVKCAOT-INIZCTEOSA-N 2 1 305.441 2.822 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375837247 428991694 /nfs/dbraw/zinc/99/16/94/428991694.db2.gz GBYCKWVQVKCAOT-INIZCTEOSA-N 2 1 305.441 2.822 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375837247 428991696 /nfs/dbraw/zinc/99/16/96/428991696.db2.gz GBYCKWVQVKCAOT-INIZCTEOSA-N 2 1 305.441 2.822 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000363782457 428992159 /nfs/dbraw/zinc/99/21/59/428992159.db2.gz HPWWMIQJVGBQRS-QZWWFDLISA-N 2 1 324.509 2.812 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CC(C)(C)OC1(C)C ZINC000363782457 428992161 /nfs/dbraw/zinc/99/21/61/428992161.db2.gz HPWWMIQJVGBQRS-QZWWFDLISA-N 2 1 324.509 2.812 20 0 DFADMP C[N@H+]1CC[C@H](NCc2nnc(C(C)(C)C)s2)[C@@H]2CCC[C@@H]21 ZINC000375841107 428992347 /nfs/dbraw/zinc/99/23/47/428992347.db2.gz RBFIKHWQSBHRKJ-AVGNSLFASA-N 2 1 308.495 2.798 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000363791592 428994568 /nfs/dbraw/zinc/99/45/68/428994568.db2.gz TXPNALLYMJSDBD-YXJHDRRASA-N 3 1 316.493 2.677 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000423720559 429004320 /nfs/dbraw/zinc/00/43/20/429004320.db2.gz ANSAIECZPMANHX-OYNZLANYSA-N 2 1 321.509 2.758 20 0 DFADMP C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000423766966 429010814 /nfs/dbraw/zinc/01/08/14/429010814.db2.gz VVDJYUDUGOXTRM-SJORKVTESA-N 2 1 323.525 2.735 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)s1 ZINC000375906367 429013956 /nfs/dbraw/zinc/01/39/56/429013956.db2.gz OWXHQGBJIKWHHP-SFHVURJKSA-N 2 1 321.534 2.965 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1nc2c(s1)CCCC2 ZINC000423462981 429090450 /nfs/dbraw/zinc/09/04/50/429090450.db2.gz AGTIZQKJIHXCMW-MNOVXSKESA-N 2 1 315.433 2.917 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[N@H+]1C1CC1 ZINC000424138975 429097780 /nfs/dbraw/zinc/09/77/80/429097780.db2.gz CTWDVHAKBMWYCZ-DJIMGWMZSA-N 2 1 321.509 2.806 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccnn1-c1ccccc1 ZINC000423473400 429093871 /nfs/dbraw/zinc/09/38/71/429093871.db2.gz ISAXBEXRXBMBGL-ZIAGYGMSSA-N 2 1 320.387 2.768 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000423480037 429094579 /nfs/dbraw/zinc/09/45/79/429094579.db2.gz OPQNHSBYGYRLER-IMJJTQAJSA-N 2 1 309.404 2.942 20 0 DFADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423481100 429094827 /nfs/dbraw/zinc/09/48/27/429094827.db2.gz PSQCIVVPLXCNFC-GHMZBOCLSA-N 2 1 315.433 2.917 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)Nc1cnc2n1CCCC2)c1ccccc1 ZINC000452330416 429094956 /nfs/dbraw/zinc/09/49/56/429094956.db2.gz AWZFXLIXDDZTCQ-KRWDZBQOSA-N 2 1 312.417 2.851 20 0 DFADMP CCN(C)[C@H](C(=O)Nc1cnc2n1CCCC2)c1ccccc1 ZINC000452330416 429094962 /nfs/dbraw/zinc/09/49/62/429094962.db2.gz AWZFXLIXDDZTCQ-KRWDZBQOSA-N 2 1 312.417 2.851 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccnn1C ZINC000423483732 429096354 /nfs/dbraw/zinc/09/63/54/429096354.db2.gz ZBGQLUMEGLEXKT-UKPHBRMFSA-N 2 1 316.424 2.603 20 0 DFADMP COC1([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000421844933 429039068 /nfs/dbraw/zinc/03/90/68/429039068.db2.gz PCIKPIGVBQKPGS-BBWFWOEESA-N 2 1 312.498 2.813 20 0 DFADMP COC[C@@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@H]1COC ZINC000452043304 429042229 /nfs/dbraw/zinc/04/22/29/429042229.db2.gz VFDNMLLJHVKAOM-VUOWKATKSA-N 2 1 310.482 2.544 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423485873 429096599 /nfs/dbraw/zinc/09/65/99/429096599.db2.gz RZBWLGRFPVWTLJ-GBESFXJTSA-N 3 1 301.478 2.944 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423485873 429096603 /nfs/dbraw/zinc/09/66/03/429096603.db2.gz RZBWLGRFPVWTLJ-GBESFXJTSA-N 3 1 301.478 2.944 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CNCCN1C)CCCO2 ZINC000423485512 429096693 /nfs/dbraw/zinc/09/66/93/429096693.db2.gz AUPFZBAJROKYTN-AEFFLSMTSA-N 2 1 317.477 2.517 20 0 DFADMP CCCCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1(C)C ZINC000423481105 429096786 /nfs/dbraw/zinc/09/67/86/429096786.db2.gz PSQUOBBOIBSIOW-HZSPNIEDSA-N 2 1 304.425 2.805 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Br)c(F)c1 ZINC000423278738 429056132 /nfs/dbraw/zinc/05/61/32/429056132.db2.gz QMTKXTICWNYETF-OQPBUACISA-N 2 1 301.203 2.976 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423326893 429064760 /nfs/dbraw/zinc/06/47/60/429064760.db2.gz KSZLEFUOVVPPGB-OWCLPIDISA-N 2 1 317.477 2.804 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@]2(C)CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423343598 429069279 /nfs/dbraw/zinc/06/92/79/429069279.db2.gz XACXHDQBMOOVMV-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423343598 429069282 /nfs/dbraw/zinc/06/92/82/429069282.db2.gz XACXHDQBMOOVMV-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423363853 429071456 /nfs/dbraw/zinc/07/14/56/429071456.db2.gz OCQMDXATZKWBIH-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423363853 429071461 /nfs/dbraw/zinc/07/14/61/429071461.db2.gz OCQMDXATZKWBIH-QXAKKESOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423363853 429071463 /nfs/dbraw/zinc/07/14/63/429071463.db2.gz OCQMDXATZKWBIH-QXAKKESOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423362603 429071497 /nfs/dbraw/zinc/07/14/97/429071497.db2.gz NCTQODJOEKQOAB-MLGOLLRUSA-N 2 1 309.404 2.521 20 0 DFADMP CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000376180488 429071897 /nfs/dbraw/zinc/07/18/97/429071897.db2.gz HFROMRCSALMKAP-YESZJQIVSA-N 2 1 324.509 2.671 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423357495 429072873 /nfs/dbraw/zinc/07/28/73/429072873.db2.gz IEOKXZRUSDOPHO-AHCXZYCDSA-N 2 1 317.477 2.558 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423368538 429074075 /nfs/dbraw/zinc/07/40/75/429074075.db2.gz NIBWHGUEKWVCNU-OQIJWPOYSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000423368538 429074078 /nfs/dbraw/zinc/07/40/78/429074078.db2.gz NIBWHGUEKWVCNU-OQIJWPOYSA-N 2 1 301.478 2.899 20 0 DFADMP COCCC[C@@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000423369848 429075513 /nfs/dbraw/zinc/07/55/13/429075513.db2.gz OYROEFJJGUAVEU-SMDDNHRTSA-N 2 1 315.255 2.854 20 0 DFADMP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423382995 429076035 /nfs/dbraw/zinc/07/60/35/429076035.db2.gz OZBGHTQZHNEJNQ-GSEOLPGOSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000423377443 429077109 /nfs/dbraw/zinc/07/71/09/429077109.db2.gz YSYSIEGUROAQBC-LSDHHAIUSA-N 2 1 317.477 2.947 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)c1OC ZINC000423383257 429077248 /nfs/dbraw/zinc/07/72/48/429077248.db2.gz PKHLEQCGQKYFLZ-NOLJZWGESA-N 2 1 306.450 2.673 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000423481636 429097329 /nfs/dbraw/zinc/09/73/29/429097329.db2.gz QFJJBUGYOPYOBM-BLLLJJGKSA-N 2 1 320.387 2.829 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cnn1C(C)(C)C ZINC000423481212 429097343 /nfs/dbraw/zinc/09/73/43/429097343.db2.gz QBYKMTJRSMBJIL-WCQYABFASA-N 2 1 314.424 2.842 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423386617 429079095 /nfs/dbraw/zinc/07/90/95/429079095.db2.gz MATUDGXHOJFITD-TUKIKUTGSA-N 2 1 317.412 2.635 20 0 DFADMP C[NH2+][C@H](C)C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423398044 429082010 /nfs/dbraw/zinc/08/20/10/429082010.db2.gz SVXYYMFVBMDVEW-IAQYHMDHSA-N 2 1 311.267 2.968 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423398739 429082347 /nfs/dbraw/zinc/08/23/47/429082347.db2.gz VJZJOCVVAYUGNQ-MVBLQPKNSA-N 2 1 313.489 2.912 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423415738 429084575 /nfs/dbraw/zinc/08/45/75/429084575.db2.gz AZNHHNCKTIGDAS-VBQJREDUSA-N 2 1 303.450 2.509 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423433184 429087893 /nfs/dbraw/zinc/08/78/93/429087893.db2.gz MZNJMTDPJIEIJF-INIZCTEOSA-N 2 1 305.466 2.561 20 0 DFADMP COc1cc2[nH+]ccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413155895 429150560 /nfs/dbraw/zinc/15/05/60/429150560.db2.gz DEBISQVIXFQRIF-STQMWFEESA-N 2 1 315.417 2.569 20 0 DFADMP COCCCCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000435616817 429151786 /nfs/dbraw/zinc/15/17/86/429151786.db2.gz LOJORGOXWOHSMK-SFHVURJKSA-N 2 1 305.466 2.842 20 0 DFADMP CC[N@H+](CC(=O)NCCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435612927 429152881 /nfs/dbraw/zinc/15/28/81/429152881.db2.gz IBKHENFMPBWARA-KRWDZBQOSA-N 2 1 309.498 2.537 20 0 DFADMP CC[N@@H+](CC(=O)NCCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435612927 429152887 /nfs/dbraw/zinc/15/28/87/429152887.db2.gz IBKHENFMPBWARA-KRWDZBQOSA-N 2 1 309.498 2.537 20 0 DFADMP CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@H]1CCC[NH2+]CC1 ZINC000435626420 429154817 /nfs/dbraw/zinc/15/48/17/429154817.db2.gz OKERPFADDVFCRF-INIZCTEOSA-N 2 1 307.413 2.618 20 0 DFADMP CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435630206 429155713 /nfs/dbraw/zinc/15/57/13/429155713.db2.gz WJNISOWUPODLIR-KRWDZBQOSA-N 2 1 309.498 2.537 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423493859 429098253 /nfs/dbraw/zinc/09/82/53/429098253.db2.gz CGQGNQZLJCDPNL-LTFPLMDUSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000423493859 429098258 /nfs/dbraw/zinc/09/82/58/429098258.db2.gz CGQGNQZLJCDPNL-LTFPLMDUSA-N 2 1 313.489 2.899 20 0 DFADMP COc1ccccc1[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423496375 429098382 /nfs/dbraw/zinc/09/83/82/429098382.db2.gz WRGCLNWJSGJIRB-QFBILLFUSA-N 2 1 318.461 2.895 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423497624 429099155 /nfs/dbraw/zinc/09/91/55/429099155.db2.gz AHQSMJFSCAHICX-KDOFPFPSSA-N 2 1 315.461 2.982 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423497625 429099944 /nfs/dbraw/zinc/09/99/44/429099944.db2.gz AHQSMJFSCAHICX-KSSFIOAISA-N 2 1 315.461 2.982 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1F ZINC000423505813 429101288 /nfs/dbraw/zinc/10/12/88/429101288.db2.gz HYQBOVMDICSXSY-FHERZECASA-N 2 1 305.441 2.693 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423504502 429101293 /nfs/dbraw/zinc/10/12/93/429101293.db2.gz GSTOFNFBVSLKIB-RHSMWYFYSA-N 2 1 303.450 2.535 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000434643766 429102384 /nfs/dbraw/zinc/10/23/84/429102384.db2.gz DCFQIVGSGASLCJ-HKUYNNGSSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000434643766 429102388 /nfs/dbraw/zinc/10/23/88/429102388.db2.gz DCFQIVGSGASLCJ-HKUYNNGSSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000434643766 429102392 /nfs/dbraw/zinc/10/23/92/429102392.db2.gz DCFQIVGSGASLCJ-HKUYNNGSSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000434643766 429102394 /nfs/dbraw/zinc/10/23/94/429102394.db2.gz DCFQIVGSGASLCJ-HKUYNNGSSA-N 2 1 317.477 2.795 20 0 DFADMP COc1cc(F)c([C@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423512923 429103578 /nfs/dbraw/zinc/10/35/78/429103578.db2.gz QTQYRTNRFKHFQO-BWACUDIHSA-N 2 1 310.413 2.821 20 0 DFADMP COc1cc(F)c([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423512923 429103583 /nfs/dbraw/zinc/10/35/83/429103583.db2.gz QTQYRTNRFKHFQO-BWACUDIHSA-N 2 1 310.413 2.821 20 0 DFADMP C[C@H]1C[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000423508262 429104066 /nfs/dbraw/zinc/10/40/66/429104066.db2.gz KOKBRWAMZHNHBN-UKBAYJJMSA-N 2 1 301.478 2.566 20 0 DFADMP C[C@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508253 429104173 /nfs/dbraw/zinc/10/41/73/429104173.db2.gz KNXMTTWNYULCMN-HNBVOPMISA-N 2 1 315.505 2.814 20 0 DFADMP C[C@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508253 429104179 /nfs/dbraw/zinc/10/41/79/429104179.db2.gz KNXMTTWNYULCMN-HNBVOPMISA-N 3 1 315.505 2.814 20 0 DFADMP C[C@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508253 429104183 /nfs/dbraw/zinc/10/41/83/429104183.db2.gz KNXMTTWNYULCMN-HNBVOPMISA-N 3 1 315.505 2.814 20 0 DFADMP C[C@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508253 429104187 /nfs/dbraw/zinc/10/41/87/429104187.db2.gz KNXMTTWNYULCMN-HNBVOPMISA-N 3 1 315.505 2.814 20 0 DFADMP C[C@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508253 429104192 /nfs/dbraw/zinc/10/41/92/429104192.db2.gz KNXMTTWNYULCMN-HNBVOPMISA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]1CN([C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507374 429104499 /nfs/dbraw/zinc/10/44/99/429104499.db2.gz JSXLSWSVAQWXIT-IZBJGVDFSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507374 429104502 /nfs/dbraw/zinc/10/45/02/429104502.db2.gz JSXLSWSVAQWXIT-IZBJGVDFSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507374 429104506 /nfs/dbraw/zinc/10/45/06/429104506.db2.gz JSXLSWSVAQWXIT-IZBJGVDFSA-N 2 1 315.505 2.956 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423517344 429105803 /nfs/dbraw/zinc/10/58/03/429105803.db2.gz XZIUOFBEKGCUGO-MUQADHOPSA-N 2 1 310.482 2.805 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@@H]1Oc1ccccc1 ZINC000423516424 429106299 /nfs/dbraw/zinc/10/62/99/429106299.db2.gz WVLCWBKHQCYFLT-RXABAKJHSA-N 2 1 318.461 2.528 20 0 DFADMP C[C@@H](c1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423518166 429106407 /nfs/dbraw/zinc/10/64/07/429106407.db2.gz YXBQOEUZRWJZLY-ZRGWGRIASA-N 2 1 315.461 2.791 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)o1 ZINC000423519574 429106523 /nfs/dbraw/zinc/10/65/23/429106523.db2.gz QBIQCEAYWVQFOS-ODIFPOPNSA-N 2 1 305.466 2.763 20 0 DFADMP CCO[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@H]1Oc1ccccc1 ZINC000423516423 429107002 /nfs/dbraw/zinc/10/70/02/429107002.db2.gz WVLCWBKHQCYFLT-RSRPTUBKSA-N 2 1 318.461 2.528 20 0 DFADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(F)c1 ZINC000423521126 429108024 /nfs/dbraw/zinc/10/80/24/429108024.db2.gz SFBJKEOIBZWKLP-NLNFPOJYSA-N 2 1 323.431 2.832 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423520750 429108140 /nfs/dbraw/zinc/10/81/40/429108140.db2.gz QFLRYDWKTJWTOC-RYQLBKOJSA-N 2 1 321.896 2.859 20 0 DFADMP Cc1ccc([C@@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C2CCCC2)cc1 ZINC000423522873 429109356 /nfs/dbraw/zinc/10/93/56/429109356.db2.gz RXGKEHOWSRQVNG-MOPGFXCFSA-N 2 1 301.478 2.720 20 0 DFADMP C[N@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCC[C@H]21 ZINC000423531774 429110266 /nfs/dbraw/zinc/11/02/66/429110266.db2.gz UFDLOLHKEGXRHI-IPRTVARMSA-N 2 1 317.521 2.602 20 0 DFADMP C[N@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@@H]2CCC[C@@H]21 ZINC000423531775 429110635 /nfs/dbraw/zinc/11/06/35/429110635.db2.gz UFDLOLHKEGXRHI-JNNMQEQSSA-N 2 1 317.521 2.602 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424285565 429119668 /nfs/dbraw/zinc/11/96/68/429119668.db2.gz FWBZYRPENDSOSX-HNNXBMFYSA-N 2 1 315.461 2.652 20 0 DFADMP CCc1cccc(NC(=O)C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424283812 429119864 /nfs/dbraw/zinc/11/98/64/429119864.db2.gz CGLLYVPMJFHJJL-HNNXBMFYSA-N 2 1 315.461 2.652 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424278713 429120150 /nfs/dbraw/zinc/12/01/50/429120150.db2.gz DYOUDQSAFSPQPL-SJLPKXTDSA-N 2 1 307.457 2.674 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424292977 429120999 /nfs/dbraw/zinc/12/09/99/429120999.db2.gz PBXMTCHCSYSZNJ-OAHLLOKOSA-N 2 1 316.445 2.732 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1nc3cccnc3s1)CC[NH2+]CC2 ZINC000424295963 429121423 /nfs/dbraw/zinc/12/14/23/429121423.db2.gz RTQIIZIZKORHBH-LBPRGKRZSA-N 2 1 302.447 2.655 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424302562 429122876 /nfs/dbraw/zinc/12/28/76/429122876.db2.gz ZXFMTWWORBCIMT-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@H](C)C1 ZINC000435132300 429124785 /nfs/dbraw/zinc/12/47/85/429124785.db2.gz IRTQFMUYMGHUTE-CZUORRHYSA-N 2 1 302.422 2.832 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@H](C)C1 ZINC000435132300 429124789 /nfs/dbraw/zinc/12/47/89/429124789.db2.gz IRTQFMUYMGHUTE-CZUORRHYSA-N 2 1 302.422 2.832 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@H](C)C1 ZINC000435132300 429124791 /nfs/dbraw/zinc/12/47/91/429124791.db2.gz IRTQFMUYMGHUTE-CZUORRHYSA-N 2 1 302.422 2.832 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@H](C)C1 ZINC000435132300 429124797 /nfs/dbraw/zinc/12/47/97/429124797.db2.gz IRTQFMUYMGHUTE-CZUORRHYSA-N 2 1 302.422 2.832 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130026 429125211 /nfs/dbraw/zinc/12/52/11/429125211.db2.gz PKHVJSVMOABZJL-UONOGXRCSA-N 2 1 302.422 2.974 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130026 429125218 /nfs/dbraw/zinc/12/52/18/429125218.db2.gz PKHVJSVMOABZJL-UONOGXRCSA-N 2 1 302.422 2.974 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130026 429125220 /nfs/dbraw/zinc/12/52/20/429125220.db2.gz PKHVJSVMOABZJL-UONOGXRCSA-N 2 1 302.422 2.974 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1C ZINC000435130026 429125224 /nfs/dbraw/zinc/12/52/24/429125224.db2.gz PKHVJSVMOABZJL-UONOGXRCSA-N 2 1 302.422 2.974 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@H](C)C1 ZINC000435132299 429125378 /nfs/dbraw/zinc/12/53/78/429125378.db2.gz IRTQFMUYMGHUTE-CJNGLKHVSA-N 2 1 302.422 2.832 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@H](C)C1 ZINC000435132299 429125381 /nfs/dbraw/zinc/12/53/81/429125381.db2.gz IRTQFMUYMGHUTE-CJNGLKHVSA-N 2 1 302.422 2.832 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@H](C)C1 ZINC000435132299 429125384 /nfs/dbraw/zinc/12/53/84/429125384.db2.gz IRTQFMUYMGHUTE-CJNGLKHVSA-N 2 1 302.422 2.832 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@H](C)C1 ZINC000435132299 429125390 /nfs/dbraw/zinc/12/53/90/429125390.db2.gz IRTQFMUYMGHUTE-CJNGLKHVSA-N 2 1 302.422 2.832 20 0 DFADMP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000424351023 429130434 /nfs/dbraw/zinc/13/04/34/429130434.db2.gz OWFALUAYIZKYBF-VMBOVVBDSA-N 2 1 308.466 2.715 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC(F)F ZINC000424389128 429132774 /nfs/dbraw/zinc/13/27/74/429132774.db2.gz ZZPQLQGVJCVLCL-VXGBXAGGSA-N 2 1 300.349 2.656 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc3ccc(Cl)cn13)CC[NH2+]CC2 ZINC000424381174 429133301 /nfs/dbraw/zinc/13/33/01/429133301.db2.gz QPJJXRYQUWZEMH-CYBMUJFWSA-N 2 1 318.852 2.952 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000435373220 429133992 /nfs/dbraw/zinc/13/39/92/429133992.db2.gz CYMUDYBCVILANL-PBHICJAKSA-N 2 1 311.429 2.926 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000376559025 429134905 /nfs/dbraw/zinc/13/49/05/429134905.db2.gz RUMASXFSECULJB-HNNXBMFYSA-N 2 1 321.465 2.747 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376559025 429134909 /nfs/dbraw/zinc/13/49/09/429134909.db2.gz RUMASXFSECULJB-HNNXBMFYSA-N 2 1 321.465 2.747 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376559025 429134913 /nfs/dbraw/zinc/13/49/13/429134913.db2.gz RUMASXFSECULJB-HNNXBMFYSA-N 2 1 321.465 2.747 20 0 DFADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000435374979 429135845 /nfs/dbraw/zinc/13/58/45/429135845.db2.gz KNVVXYFWRRFNMV-UHFFFAOYSA-N 2 1 320.387 2.690 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376564 429135980 /nfs/dbraw/zinc/13/59/80/429135980.db2.gz RQKKVSFMKWVPAM-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435380794 429136327 /nfs/dbraw/zinc/13/63/27/429136327.db2.gz QETAVLCTQZSAMB-KRWDZBQOSA-N 2 1 316.424 2.975 20 0 DFADMP CC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435380794 429136332 /nfs/dbraw/zinc/13/63/32/429136332.db2.gz QETAVLCTQZSAMB-KRWDZBQOSA-N 2 1 316.424 2.975 20 0 DFADMP C[C@H](C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000494658919 429138536 /nfs/dbraw/zinc/13/85/36/429138536.db2.gz JXPJXGUJKFSMEW-GBJTYRQASA-N 2 1 313.486 2.751 20 0 DFADMP C[C@H](C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000494658919 429138541 /nfs/dbraw/zinc/13/85/41/429138541.db2.gz JXPJXGUJKFSMEW-GBJTYRQASA-N 2 1 313.486 2.751 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000424433302 429141249 /nfs/dbraw/zinc/14/12/49/429141249.db2.gz DOIURGOXYKCPBZ-CABCVRRESA-N 2 1 318.465 2.838 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424442230 429142275 /nfs/dbraw/zinc/14/22/75/429142275.db2.gz XPHZLGKTRLSNNU-YOEHRIQHSA-N 2 1 318.465 2.648 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC[NH2+]C)[C@@H]2CCCC[C@@H]12 ZINC000435873147 429169304 /nfs/dbraw/zinc/16/93/04/429169304.db2.gz BKETXGNSQBKDHM-NNPSNHGLSA-N 2 1 323.525 2.780 20 0 DFADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000495034479 429174175 /nfs/dbraw/zinc/17/41/75/429174175.db2.gz CRWOOBAOIITFHM-LSDHHAIUSA-N 2 1 309.498 2.534 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000495034479 429174179 /nfs/dbraw/zinc/17/41/79/429174179.db2.gz CRWOOBAOIITFHM-LSDHHAIUSA-N 2 1 309.498 2.534 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436226874 429189530 /nfs/dbraw/zinc/18/95/30/429189530.db2.gz KBZPZBVLDQJWBH-OAHLLOKOSA-N 2 1 319.424 2.634 20 0 DFADMP Brc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000368847376 275369497 /nfs/dbraw/zinc/36/94/97/275369497.db2.gz YLGNVCGUPMBCMW-ZDUSSCGKSA-N 2 1 306.207 2.750 20 0 DFADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364356045 275377592 /nfs/dbraw/zinc/37/75/92/275377592.db2.gz JRLWNGJKVUDDQR-SCRDCRAPSA-N 2 1 322.250 2.765 20 0 DFADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364356045 275377594 /nfs/dbraw/zinc/37/75/94/275377594.db2.gz JRLWNGJKVUDDQR-SCRDCRAPSA-N 2 1 322.250 2.765 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000364560840 429224606 /nfs/dbraw/zinc/22/46/06/429224606.db2.gz BDNSGMAUPVXJCL-CQSZACIVSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000364560840 429224608 /nfs/dbraw/zinc/22/46/08/429224608.db2.gz BDNSGMAUPVXJCL-CQSZACIVSA-N 2 1 314.437 2.503 20 0 DFADMP C[N@@H+](Cc1ccc(Br)o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364587923 429229261 /nfs/dbraw/zinc/22/92/61/429229261.db2.gz GOLQSNYGTJAFIL-NSHDSACASA-N 2 1 324.222 2.933 20 0 DFADMP C[N@H+](Cc1ccc(Br)o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364587923 429229266 /nfs/dbraw/zinc/22/92/66/429229266.db2.gz GOLQSNYGTJAFIL-NSHDSACASA-N 2 1 324.222 2.933 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000365251487 429286083 /nfs/dbraw/zinc/28/60/83/429286083.db2.gz XFUWTTLTOAOCMO-ULQDDVLXSA-N 2 1 300.446 2.769 20 0 DFADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000364608651 429233106 /nfs/dbraw/zinc/23/31/06/429233106.db2.gz RGVJWORULFJWCK-LRDDRELGSA-N 2 1 301.821 2.856 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]C1CCN(c3ccccc3)CC1)CC2 ZINC000364605203 429233132 /nfs/dbraw/zinc/23/31/32/429233132.db2.gz LPKSSVVRZRWRAC-INIZCTEOSA-N 2 1 310.445 2.704 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495619276 429233875 /nfs/dbraw/zinc/23/38/75/429233875.db2.gz OOOSHHZTIDHIIB-UONOGXRCSA-N 2 1 313.486 2.560 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495619276 429233877 /nfs/dbraw/zinc/23/38/77/429233877.db2.gz OOOSHHZTIDHIIB-UONOGXRCSA-N 2 1 313.486 2.560 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364675207 429247380 /nfs/dbraw/zinc/24/73/80/429247380.db2.gz SXSNWELMMSSPRH-OAHLLOKOSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364675207 429247383 /nfs/dbraw/zinc/24/73/83/429247383.db2.gz SXSNWELMMSSPRH-OAHLLOKOSA-N 2 1 312.417 2.536 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364705151 429252655 /nfs/dbraw/zinc/25/26/55/429252655.db2.gz CWHKTUJLBFDZGI-HNNXBMFYSA-N 2 1 321.428 2.934 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC000495747238 429258366 /nfs/dbraw/zinc/25/83/66/429258366.db2.gz FXFTUORYOIEYJP-INIZCTEOSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@H]1COC(=O)NC(C)C ZINC000495747238 429258370 /nfs/dbraw/zinc/25/83/70/429258370.db2.gz FXFTUORYOIEYJP-INIZCTEOSA-N 2 1 322.453 2.571 20 0 DFADMP CN(C)c1ncc(C[N@H+](C)CCOc2ccccc2Cl)n1C ZINC000425322198 429264731 /nfs/dbraw/zinc/26/47/31/429264731.db2.gz GZUFKGWDRGHZQF-UHFFFAOYSA-N 2 1 322.840 2.650 20 0 DFADMP Cc1csc([C@H]2CCCN(Cc3cnc(N(C)C)n3C)C2)n1 ZINC000425321322 429264844 /nfs/dbraw/zinc/26/48/44/429264844.db2.gz FIFVLNXQJWWJTB-ZDUSSCGKSA-N 2 1 319.478 2.631 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000444148061 429266374 /nfs/dbraw/zinc/26/63/74/429266374.db2.gz AKIBOOCLCWNPAN-HNNXBMFYSA-N 2 1 321.440 2.736 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000444148061 429266377 /nfs/dbraw/zinc/26/63/77/429266377.db2.gz AKIBOOCLCWNPAN-HNNXBMFYSA-N 2 1 321.440 2.736 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000444148061 429266382 /nfs/dbraw/zinc/26/63/82/429266382.db2.gz AKIBOOCLCWNPAN-HNNXBMFYSA-N 2 1 321.440 2.736 20 0 DFADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000495842512 429278324 /nfs/dbraw/zinc/27/83/24/429278324.db2.gz WKVMLVSELMIWHZ-NFOMZHRRSA-N 2 1 323.481 2.649 20 0 DFADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000495842512 429278328 /nfs/dbraw/zinc/27/83/28/429278328.db2.gz WKVMLVSELMIWHZ-NFOMZHRRSA-N 2 1 323.481 2.649 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCc2cnccn2)C3)cc1 ZINC000365217614 429280957 /nfs/dbraw/zinc/28/09/57/429280957.db2.gz FQMCCILUUKQRAN-OWZKRDHZSA-N 2 1 322.456 2.804 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425544695 429319055 /nfs/dbraw/zinc/31/90/55/429319055.db2.gz CFIJKPZWSBZUDQ-KRWDZBQOSA-N 2 1 303.450 2.863 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000425544695 429319062 /nfs/dbraw/zinc/31/90/62/429319062.db2.gz CFIJKPZWSBZUDQ-KRWDZBQOSA-N 2 1 303.450 2.863 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000449087865 429328435 /nfs/dbraw/zinc/32/84/35/429328435.db2.gz XFZHDOFUFAWOEY-CVEARBPZSA-N 2 1 311.514 2.781 20 0 DFADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)OCCCCO2 ZINC000449093765 429331055 /nfs/dbraw/zinc/33/10/55/429331055.db2.gz YFFZMOFUGLIRHQ-SJORKVTESA-N 2 1 316.445 2.954 20 0 DFADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)OCCCCO2 ZINC000449093765 429331058 /nfs/dbraw/zinc/33/10/58/429331058.db2.gz YFFZMOFUGLIRHQ-SJORKVTESA-N 2 1 316.445 2.954 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H](CC(C)(C)C)[NH2+]C)c1 ZINC000449100721 429331417 /nfs/dbraw/zinc/33/14/17/429331417.db2.gz SGZRDSJMXDPFKF-KRWDZBQOSA-N 2 1 319.493 2.779 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449104579 429333075 /nfs/dbraw/zinc/33/30/75/429333075.db2.gz AJMBKPSBAVWDHJ-UHFFFAOYSA-N 2 1 313.380 2.521 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000449111557 429335117 /nfs/dbraw/zinc/33/51/17/429335117.db2.gz MYMXICHOCXWXDH-WMZOPIPTSA-N 2 1 317.477 2.766 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000449111557 429335120 /nfs/dbraw/zinc/33/51/20/429335120.db2.gz MYMXICHOCXWXDH-WMZOPIPTSA-N 2 1 317.477 2.766 20 0 DFADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000449134706 429339780 /nfs/dbraw/zinc/33/97/80/429339780.db2.gz KXEDNDZUIGGTJG-KZNAEPCWSA-N 2 1 323.525 2.768 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000449134206 429340362 /nfs/dbraw/zinc/34/03/62/429340362.db2.gz HNEYPLULCVCSIP-IJEWVQPXSA-N 2 1 323.506 2.635 20 0 DFADMP COc1ccc2oc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)cc2c1 ZINC000365557083 429341121 /nfs/dbraw/zinc/34/11/21/429341121.db2.gz PINSMSYFAIIAFE-CYBMUJFWSA-N 2 1 311.385 2.990 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C(=O)OC)c2ccccc2)C1 ZINC000425424899 429293999 /nfs/dbraw/zinc/29/39/99/429293999.db2.gz QBGHVBPEGYTODA-FUHWJXTLSA-N 2 1 318.461 2.607 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@@H](C(=O)OC)c2ccccc2)C1 ZINC000425424899 429294002 /nfs/dbraw/zinc/29/40/02/429294002.db2.gz QBGHVBPEGYTODA-FUHWJXTLSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@@H](C(=O)OC)c2ccccc2)C1 ZINC000425424899 429294006 /nfs/dbraw/zinc/29/40/06/429294006.db2.gz QBGHVBPEGYTODA-FUHWJXTLSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@@H](C(=O)OC)c2ccccc2)C1 ZINC000425424899 429294009 /nfs/dbraw/zinc/29/40/09/429294009.db2.gz QBGHVBPEGYTODA-FUHWJXTLSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425431046 429296384 /nfs/dbraw/zinc/29/63/84/429296384.db2.gz GYVOCYXGHPLTEX-ZMSDIMECSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425431046 429296390 /nfs/dbraw/zinc/29/63/90/429296390.db2.gz GYVOCYXGHPLTEX-ZMSDIMECSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425431046 429296396 /nfs/dbraw/zinc/29/63/96/429296396.db2.gz GYVOCYXGHPLTEX-ZMSDIMECSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000457118314 429408384 /nfs/dbraw/zinc/40/83/84/429408384.db2.gz MPNWKDUJNCCITD-SJLPKXTDSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000457118314 429408388 /nfs/dbraw/zinc/40/83/88/429408388.db2.gz MPNWKDUJNCCITD-SJLPKXTDSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000457118314 429408393 /nfs/dbraw/zinc/40/83/93/429408393.db2.gz MPNWKDUJNCCITD-SJLPKXTDSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)C[NH+](C)C ZINC000425949913 429353465 /nfs/dbraw/zinc/35/34/65/429353465.db2.gz HYVVYCQQUYDVFS-OLZOCXBDSA-N 2 1 321.856 2.769 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000513755178 429361702 /nfs/dbraw/zinc/36/17/02/429361702.db2.gz QKBFGXNVIWPZGV-WSTZPKSXSA-N 2 1 313.489 2.902 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000449236044 429362998 /nfs/dbraw/zinc/36/29/98/429362998.db2.gz WMAYLBRQAHZXBT-RTBURBONSA-N 2 1 302.462 2.922 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000449242271 429365940 /nfs/dbraw/zinc/36/59/40/429365940.db2.gz DZTGQISNHVPFHD-SZMVWBNQSA-N 2 1 322.880 2.707 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000449242271 429365944 /nfs/dbraw/zinc/36/59/44/429365944.db2.gz DZTGQISNHVPFHD-SZMVWBNQSA-N 2 1 322.880 2.707 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000514660598 429369101 /nfs/dbraw/zinc/36/91/01/429369101.db2.gz VYQQCRBHFBJHCA-CHWSQXEVSA-N 2 1 322.403 2.718 20 0 DFADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000426218311 429374588 /nfs/dbraw/zinc/37/45/88/429374588.db2.gz WRSPUWDKGQDEFJ-NXHRZFHOSA-N 2 1 317.477 2.524 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000365800484 429374865 /nfs/dbraw/zinc/37/48/65/429374865.db2.gz PJDMOQANKJDARD-DZJNRPSUSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000365800484 429374871 /nfs/dbraw/zinc/37/48/71/429374871.db2.gz PJDMOQANKJDARD-DZJNRPSUSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000365800484 429374873 /nfs/dbraw/zinc/37/48/73/429374873.db2.gz PJDMOQANKJDARD-DZJNRPSUSA-N 2 1 305.466 2.843 20 0 DFADMP C[C@H](C[NH2+]Cc1ccccc1OCC(F)(F)F)C[NH+](C)C ZINC000491594388 429378236 /nfs/dbraw/zinc/37/82/36/429378236.db2.gz PPTIFOPFILMHLM-GFCCVEGCSA-N 2 1 304.356 2.915 20 0 DFADMP COCC(C)(C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000426367581 429385027 /nfs/dbraw/zinc/38/50/27/429385027.db2.gz XUMZARKZOPIEDS-QGZVFWFLSA-N 2 1 305.466 2.508 20 0 DFADMP COCC(C)(C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000426367581 429385030 /nfs/dbraw/zinc/38/50/30/429385030.db2.gz XUMZARKZOPIEDS-QGZVFWFLSA-N 2 1 305.466 2.508 20 0 DFADMP COCC(C)(C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000426367581 429385032 /nfs/dbraw/zinc/38/50/32/429385032.db2.gz XUMZARKZOPIEDS-QGZVFWFLSA-N 2 1 305.466 2.508 20 0 DFADMP COCC(C)(C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000426367581 429385034 /nfs/dbraw/zinc/38/50/34/429385034.db2.gz XUMZARKZOPIEDS-QGZVFWFLSA-N 2 1 305.466 2.508 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000365849182 429385321 /nfs/dbraw/zinc/38/53/21/429385321.db2.gz SNYNWCMXJJTWPW-KURKYZTESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000365849182 429385325 /nfs/dbraw/zinc/38/53/25/429385325.db2.gz SNYNWCMXJJTWPW-KURKYZTESA-N 2 1 305.466 2.987 20 0 DFADMP CN(CC[N@@H+](C)Cc1cccc2ccoc21)C1CC[NH+](C)CC1 ZINC000449326426 429388466 /nfs/dbraw/zinc/38/84/66/429388466.db2.gz VSBKXMRIGAJYIP-UHFFFAOYSA-N 2 1 315.461 2.891 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000518970747 429442356 /nfs/dbraw/zinc/44/23/56/429442356.db2.gz NTNJTVPDMRDIDZ-SQNIBIBYSA-N 2 1 323.525 2.912 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSC[C@H]1C1CC1 ZINC000449528742 429446784 /nfs/dbraw/zinc/44/67/84/429446784.db2.gz RPCXUFOBDWRUOA-KRWDZBQOSA-N 2 1 314.458 2.903 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449580956 429453334 /nfs/dbraw/zinc/45/33/34/429453334.db2.gz VXDQRPMMIOHUKZ-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000449580956 429453338 /nfs/dbraw/zinc/45/33/38/429453338.db2.gz VXDQRPMMIOHUKZ-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]([NH2+]CCC1(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449576861 429454213 /nfs/dbraw/zinc/45/42/13/429454213.db2.gz BUCSWNLLWXEAAB-AEFFLSMTSA-N 2 1 302.462 2.649 20 0 DFADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCS2 ZINC000427618105 429459030 /nfs/dbraw/zinc/45/90/30/429459030.db2.gz MGAFSBUQGABENP-DOTOQJQBSA-N 2 1 320.502 2.887 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000519524719 429462127 /nfs/dbraw/zinc/46/21/27/429462127.db2.gz VGQHFTOSOFEBNF-KRWDZBQOSA-N 2 1 309.498 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000519524719 429462131 /nfs/dbraw/zinc/46/21/31/429462131.db2.gz VGQHFTOSOFEBNF-KRWDZBQOSA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@@H+](CCNc1cc(C)nc(C2CC2)n1)CCC(F)(F)F ZINC000491868371 429424347 /nfs/dbraw/zinc/42/43/47/429424347.db2.gz KFOGIHXZVAYLCJ-UHFFFAOYSA-N 2 1 316.371 3.349 20 0 DFADMP CCN(CCNc1cc(C)nc(C2CC2)n1)CCC(F)(F)F ZINC000491868371 429424349 /nfs/dbraw/zinc/42/43/49/429424349.db2.gz KFOGIHXZVAYLCJ-UHFFFAOYSA-N 2 1 316.371 3.349 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCCC[N@H+]2CCCn2ccnc2)C1 ZINC000427052659 429429258 /nfs/dbraw/zinc/42/92/58/429429258.db2.gz GZTNHWQTFXVHEO-OWSLCNJRSA-N 2 1 305.466 2.925 20 0 DFADMP CC[NH+]1CCC([NH2+]CCOc2ccc(Cl)c(F)c2)CC1 ZINC000449485317 429430667 /nfs/dbraw/zinc/43/06/67/429430667.db2.gz LXHSUDVXOVNBDB-UHFFFAOYSA-N 2 1 300.805 2.932 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000427122276 429432201 /nfs/dbraw/zinc/43/22/01/429432201.db2.gz PTDCDCURCPZNSW-APWZRJJASA-N 2 1 310.445 2.579 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000427119740 429432492 /nfs/dbraw/zinc/43/24/92/429432492.db2.gz MFWSPELGOHPDNN-JLJPHGGASA-N 2 1 306.425 2.697 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427133545 429433579 /nfs/dbraw/zinc/43/35/79/429433579.db2.gz PNELKMGEGBVRLW-ZFWWWQNUSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427133545 429433586 /nfs/dbraw/zinc/43/35/86/429433586.db2.gz PNELKMGEGBVRLW-ZFWWWQNUSA-N 2 1 314.351 2.812 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)ccn1 ZINC000427126934 429433855 /nfs/dbraw/zinc/43/38/55/429433855.db2.gz BUARFQWFGLMOAP-QUCCMNQESA-N 2 1 323.440 2.844 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)ccn1 ZINC000427126934 429433858 /nfs/dbraw/zinc/43/38/58/429433858.db2.gz BUARFQWFGLMOAP-QUCCMNQESA-N 2 1 323.440 2.844 20 0 DFADMP C[C@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000366211653 429435037 /nfs/dbraw/zinc/43/50/37/429435037.db2.gz SWFJPNYZWIIORO-INIZCTEOSA-N 3 1 307.526 2.961 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863255 429529463 /nfs/dbraw/zinc/52/94/63/429529463.db2.gz GCXBDPVNNRVKQM-QGZVFWFLSA-N 2 1 316.445 2.709 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863255 429529468 /nfs/dbraw/zinc/52/94/68/429529468.db2.gz GCXBDPVNNRVKQM-QGZVFWFLSA-N 2 1 316.445 2.709 20 0 DFADMP Cn1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536502 429472925 /nfs/dbraw/zinc/47/29/25/429472925.db2.gz RPXYKBNJLNEDIM-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536502 429472927 /nfs/dbraw/zinc/47/29/27/429472927.db2.gz RPXYKBNJLNEDIM-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536502 429472929 /nfs/dbraw/zinc/47/29/29/429472929.db2.gz RPXYKBNJLNEDIM-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536502 429472931 /nfs/dbraw/zinc/47/29/31/429472931.db2.gz RPXYKBNJLNEDIM-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536502 429472933 /nfs/dbraw/zinc/47/29/33/429472933.db2.gz RPXYKBNJLNEDIM-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000427871814 429475546 /nfs/dbraw/zinc/47/55/46/429475546.db2.gz IYUUABVJAIEPIT-SJORKVTESA-N 2 1 311.514 2.734 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)[C@@H](C)C1 ZINC000427967832 429480571 /nfs/dbraw/zinc/48/05/71/429480571.db2.gz SKUSWNRZCHWUCT-BBWFWOEESA-N 2 1 312.498 2.671 20 0 DFADMP CC[C@@H](C[NH2+]C1CCC(c2nc(C)no2)CC1)[NH+]1CCCC1 ZINC000366605051 429486801 /nfs/dbraw/zinc/48/68/01/429486801.db2.gz SLBDZEGUGIALML-GPANFISMSA-N 2 1 306.454 2.868 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000449716844 429488005 /nfs/dbraw/zinc/48/80/05/429488005.db2.gz DBYLGKDBOKTOBH-SJLPKXTDSA-N 2 1 317.477 2.774 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000449720011 429488456 /nfs/dbraw/zinc/48/84/56/429488456.db2.gz HZMBKYPNPHBQBU-SJLPKXTDSA-N 2 1 317.477 2.776 20 0 DFADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC000366668367 429491028 /nfs/dbraw/zinc/49/10/28/429491028.db2.gz WQWBJIQQGDQBJF-LRDDRELGSA-N 2 1 301.821 2.856 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)C2(O)CCCC2)s1 ZINC000449742326 429492453 /nfs/dbraw/zinc/49/24/53/429492453.db2.gz YUPDPZUKOVQSLG-UHFFFAOYSA-N 2 1 311.495 2.626 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1OCCc2sccc21 ZINC000519833797 429493070 /nfs/dbraw/zinc/49/30/70/429493070.db2.gz QIZNFRJCCPPIIZ-MLGOLLRUSA-N 2 1 305.447 2.706 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](O)C1CCC1 ZINC000449738978 429493143 /nfs/dbraw/zinc/49/31/43/429493143.db2.gz HOQRADQPWRVFJK-SFHVURJKSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449738428 429493929 /nfs/dbraw/zinc/49/39/29/429493929.db2.gz BSGCKLKVMPGWCN-ZYSHUDEJSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000520834470 429530530 /nfs/dbraw/zinc/53/05/30/429530530.db2.gz CRIVBDNIMZHFOX-HUUCEWRRSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000520834470 429530533 /nfs/dbraw/zinc/53/05/33/429530533.db2.gz CRIVBDNIMZHFOX-HUUCEWRRSA-N 2 1 321.465 2.652 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1 ZINC000449754547 429500548 /nfs/dbraw/zinc/50/05/48/429500548.db2.gz RAHUNTLWPQLIRK-QGZVFWFLSA-N 2 1 317.477 2.789 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@H]1C ZINC000449780463 429507314 /nfs/dbraw/zinc/50/73/14/429507314.db2.gz FZTFWOCWHWNGMY-OWCLPIDISA-N 2 1 310.482 2.818 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@H]1C ZINC000449780463 429507317 /nfs/dbraw/zinc/50/73/17/429507317.db2.gz FZTFWOCWHWNGMY-OWCLPIDISA-N 2 1 310.482 2.818 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)CC(C)(C)O ZINC000520247632 429507370 /nfs/dbraw/zinc/50/73/70/429507370.db2.gz BPQGJSUIQGLCIM-UHFFFAOYSA-N 2 1 301.434 2.626 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)CC(C)(C)O ZINC000520247632 429507376 /nfs/dbraw/zinc/50/73/76/429507376.db2.gz BPQGJSUIQGLCIM-UHFFFAOYSA-N 2 1 301.434 2.626 20 0 DFADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](Cc2ccncc2)CC1 ZINC000449777997 429507982 /nfs/dbraw/zinc/50/79/82/429507982.db2.gz AQBNMSJUDONDJP-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP CCc1nc(C)c(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000428304593 429509485 /nfs/dbraw/zinc/50/94/85/429509485.db2.gz WQDUMIYQZPNJMR-CQSZACIVSA-N 2 1 302.422 2.734 20 0 DFADMP CCc1nc(C)c(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000428304593 429509488 /nfs/dbraw/zinc/50/94/88/429509488.db2.gz WQDUMIYQZPNJMR-CQSZACIVSA-N 2 1 302.422 2.734 20 0 DFADMP CC(C)(C)N1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000298513281 275814864 /nfs/dbraw/zinc/81/48/64/275814864.db2.gz RAXQBMZNLXFLRJ-UHFFFAOYSA-N 2 1 316.493 2.903 20 0 DFADMP C[C@@H]1C[C@H](NCCC[NH+]2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000520428176 429514309 /nfs/dbraw/zinc/51/43/09/429514309.db2.gz MYVCSRDKUCBEDB-IEBWSBKVSA-N 3 1 301.478 2.725 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000428374804 429514660 /nfs/dbraw/zinc/51/46/60/429514660.db2.gz BXICPVBLTQAHKL-QGZVFWFLSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H](O)C2(CC2)C1 ZINC000428374804 429514667 /nfs/dbraw/zinc/51/46/67/429514667.db2.gz BXICPVBLTQAHKL-QGZVFWFLSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000428374804 429514669 /nfs/dbraw/zinc/51/46/69/429514669.db2.gz BXICPVBLTQAHKL-QGZVFWFLSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000428374804 429514674 /nfs/dbraw/zinc/51/46/74/429514674.db2.gz BXICPVBLTQAHKL-QGZVFWFLSA-N 2 1 302.462 2.601 20 0 DFADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000449810446 429515908 /nfs/dbraw/zinc/51/59/08/429515908.db2.gz LXVRZHUNBBCNHQ-NXHRZFHOSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449810446 429515910 /nfs/dbraw/zinc/51/59/10/429515910.db2.gz LXVRZHUNBBCNHQ-NXHRZFHOSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449810446 429515914 /nfs/dbraw/zinc/51/59/14/429515914.db2.gz LXVRZHUNBBCNHQ-NXHRZFHOSA-N 2 1 319.493 2.527 20 0 DFADMP CCC[C@@H](C)C[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431614 429520048 /nfs/dbraw/zinc/52/00/48/429520048.db2.gz MRMVUMPUTUMMFA-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H](C)C[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431614 429520053 /nfs/dbraw/zinc/52/00/53/429520053.db2.gz MRMVUMPUTUMMFA-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H](C)C[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428431614 429520054 /nfs/dbraw/zinc/52/00/54/429520054.db2.gz MRMVUMPUTUMMFA-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H](C)C[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428431614 429520057 /nfs/dbraw/zinc/52/00/57/429520057.db2.gz MRMVUMPUTUMMFA-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H](C)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431612 429521162 /nfs/dbraw/zinc/52/11/62/429521162.db2.gz MRMVUMPUTUMMFA-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H](C)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431612 429521164 /nfs/dbraw/zinc/52/11/64/429521164.db2.gz MRMVUMPUTUMMFA-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H](C)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428431612 429521167 /nfs/dbraw/zinc/52/11/67/429521167.db2.gz MRMVUMPUTUMMFA-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H](C)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428431612 429521168 /nfs/dbraw/zinc/52/11/68/429521168.db2.gz MRMVUMPUTUMMFA-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000366977100 429551412 /nfs/dbraw/zinc/55/14/12/429551412.db2.gz LJZXIVGZBNXVGD-FUHWJXTLSA-N 2 1 315.461 2.870 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCOCC3)[C@@H](C)C1 ZINC000367050961 429565757 /nfs/dbraw/zinc/56/57/57/429565757.db2.gz URNFIMQMWYGVFI-BZSNNMDCSA-N 2 1 324.509 2.672 20 0 DFADMP COCC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC1CCCCCC1 ZINC000522011205 429575966 /nfs/dbraw/zinc/57/59/66/429575966.db2.gz SWMTUHIBTYBXTD-QGZVFWFLSA-N 2 1 314.514 2.654 20 0 DFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)CC1CCCCCC1 ZINC000522011205 429575971 /nfs/dbraw/zinc/57/59/71/429575971.db2.gz SWMTUHIBTYBXTD-QGZVFWFLSA-N 2 1 314.514 2.654 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000492606923 429576762 /nfs/dbraw/zinc/57/67/62/429576762.db2.gz FVKPSICPXJAZQO-KKUMJFAQSA-N 2 1 313.486 2.704 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000492606923 429576767 /nfs/dbraw/zinc/57/67/67/429576767.db2.gz FVKPSICPXJAZQO-KKUMJFAQSA-N 2 1 313.486 2.704 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000492606923 429576769 /nfs/dbraw/zinc/57/67/69/429576769.db2.gz FVKPSICPXJAZQO-KKUMJFAQSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367108143 429579537 /nfs/dbraw/zinc/57/95/37/429579537.db2.gz CIRZHWMVYMXUSN-SJORKVTESA-N 2 1 319.468 2.846 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000428499785 429531814 /nfs/dbraw/zinc/53/18/14/429531814.db2.gz IYUUABVJAIEPIT-DLBZAZTESA-N 2 1 311.514 2.734 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450266957 429588910 /nfs/dbraw/zinc/58/89/10/429588910.db2.gz VUCWCVXLJMLPSX-IBGZPJMESA-N 2 1 302.462 2.804 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnccn2)CC1 ZINC000521204827 429541241 /nfs/dbraw/zinc/54/12/41/429541241.db2.gz XHXPGJCAFTXVCT-INIZCTEOSA-N 2 1 302.466 2.953 20 0 DFADMP CCc1noc([C@@H](C)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000367309501 429617381 /nfs/dbraw/zinc/61/73/81/429617381.db2.gz JBFOXYBQIQFJNE-ZIAGYGMSSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@@H](C)[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000367309501 429617383 /nfs/dbraw/zinc/61/73/83/429617383.db2.gz JBFOXYBQIQFJNE-ZIAGYGMSSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@@H](C)[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000367309501 429617386 /nfs/dbraw/zinc/61/73/86/429617386.db2.gz JBFOXYBQIQFJNE-ZIAGYGMSSA-N 2 1 318.465 2.889 20 0 DFADMP O=C(C=Cc1c[nH]cn1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000492822208 429623557 /nfs/dbraw/zinc/62/35/57/429623557.db2.gz HRKXTZIEXZEGTG-FPLPWBNLSA-N 2 1 316.449 2.538 20 0 DFADMP CCc1cc(CCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)on1 ZINC000450438855 429628350 /nfs/dbraw/zinc/62/83/50/429628350.db2.gz MYLWIIWDTBFQOJ-MRXNPFEDSA-N 2 1 305.466 2.977 20 0 DFADMP CCc1cc(CCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)on1 ZINC000450438855 429628355 /nfs/dbraw/zinc/62/83/55/429628355.db2.gz MYLWIIWDTBFQOJ-MRXNPFEDSA-N 2 1 305.466 2.977 20 0 DFADMP CN(C(=O)C=Cc1c[nH]cn1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000492872167 429633801 /nfs/dbraw/zinc/63/38/01/429633801.db2.gz YHMVEVIKCGUQNA-HJCTWCACSA-N 2 1 324.428 2.546 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOC[C@@H]2CCCO2)C1 ZINC000524991394 429642242 /nfs/dbraw/zinc/64/22/42/429642242.db2.gz WDYBNPMQMHNFEK-QYZOEREBSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOC[C@@H]2CCCO2)C1 ZINC000524991394 429642249 /nfs/dbraw/zinc/64/22/49/429642249.db2.gz WDYBNPMQMHNFEK-QYZOEREBSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000524991394 429642252 /nfs/dbraw/zinc/64/22/52/429642252.db2.gz WDYBNPMQMHNFEK-QYZOEREBSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000524991394 429642257 /nfs/dbraw/zinc/64/22/57/429642257.db2.gz WDYBNPMQMHNFEK-QYZOEREBSA-N 2 1 324.509 2.768 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C ZINC000429245017 429591050 /nfs/dbraw/zinc/59/10/50/429591050.db2.gz NFNNAJVRWCBDSO-INIZCTEOSA-N 2 1 320.481 2.559 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C ZINC000429245017 429591054 /nfs/dbraw/zinc/59/10/54/429591054.db2.gz NFNNAJVRWCBDSO-INIZCTEOSA-N 2 1 320.481 2.559 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000458195727 429597072 /nfs/dbraw/zinc/59/70/72/429597072.db2.gz CXXUMXFLXUCPMT-GASCZTMLSA-N 2 1 323.506 2.511 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115931 429600742 /nfs/dbraw/zinc/60/07/42/429600742.db2.gz GAPDUMYSBYNUCQ-IXDOHACOSA-N 2 1 323.525 2.827 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115931 429600747 /nfs/dbraw/zinc/60/07/47/429600747.db2.gz GAPDUMYSBYNUCQ-IXDOHACOSA-N 2 1 323.525 2.827 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115931 429600750 /nfs/dbraw/zinc/60/07/50/429600750.db2.gz GAPDUMYSBYNUCQ-IXDOHACOSA-N 2 1 323.525 2.827 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450340145 429605764 /nfs/dbraw/zinc/60/57/64/429605764.db2.gz UPOBZVYIJRXJLB-VQIMIIECSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@@H]([NH3+])c1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000429491354 429610608 /nfs/dbraw/zinc/61/06/08/429610608.db2.gz KZADRVXMGINFFN-KDOFPFPSSA-N 2 1 311.429 2.625 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000430137372 429656881 /nfs/dbraw/zinc/65/68/81/429656881.db2.gz VYMNRAUNQBMBEN-MRXNPFEDSA-N 2 1 302.447 2.666 20 0 DFADMP COc1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1OC ZINC000430140242 429657497 /nfs/dbraw/zinc/65/74/97/429657497.db2.gz STTNSNICECLRGU-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1OC ZINC000430140242 429657501 /nfs/dbraw/zinc/65/75/01/429657501.db2.gz STTNSNICECLRGU-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(C)c1OC ZINC000430140242 429657503 /nfs/dbraw/zinc/65/75/03/429657503.db2.gz STTNSNICECLRGU-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(C)c1OC ZINC000430140242 429657507 /nfs/dbraw/zinc/65/75/07/429657507.db2.gz STTNSNICECLRGU-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1OC ZINC000430140242 429657509 /nfs/dbraw/zinc/65/75/09/429657509.db2.gz STTNSNICECLRGU-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP C/C(=C\c1ccccc1)CN1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000367472484 429658006 /nfs/dbraw/zinc/65/80/06/429658006.db2.gz MTWQZCVEUZWSBS-POLXVDLBSA-N 2 1 313.489 2.802 20 0 DFADMP C/C(=C\c1ccccc1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000367472484 429658010 /nfs/dbraw/zinc/65/80/10/429658010.db2.gz MTWQZCVEUZWSBS-POLXVDLBSA-N 2 1 313.489 2.802 20 0 DFADMP Brc1cscc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000367523020 429664351 /nfs/dbraw/zinc/66/43/51/429664351.db2.gz LOOHRFGWVSIVTC-JTQLQIEISA-N 2 1 312.236 2.812 20 0 DFADMP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC)cc1 ZINC000378167955 276044739 /nfs/dbraw/zinc/04/47/39/276044739.db2.gz YRDSJMMYRHDDBI-QRQLOZEOSA-N 2 1 318.461 2.989 20 0 DFADMP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC)cc1 ZINC000378167955 276044742 /nfs/dbraw/zinc/04/47/42/276044742.db2.gz YRDSJMMYRHDDBI-QRQLOZEOSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000450653495 429670389 /nfs/dbraw/zinc/67/03/89/429670389.db2.gz PTRHYHWTUJPNEM-CABCVRRESA-N 2 1 315.452 2.522 20 0 DFADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000450651290 429670918 /nfs/dbraw/zinc/67/09/18/429670918.db2.gz LKDPPMGTRDSIDQ-QGZVFWFLSA-N 2 1 305.510 2.977 20 0 DFADMP COCc1nc(CN2CCC(C[N@@H+](C)C(C)C)CC2)cs1 ZINC000525786485 429672318 /nfs/dbraw/zinc/67/23/18/429672318.db2.gz QGCSPFMQLQVUHP-UHFFFAOYSA-N 2 1 311.495 2.842 20 0 DFADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccc(Cl)cc2F)CC1 ZINC000525875010 429684029 /nfs/dbraw/zinc/68/40/29/429684029.db2.gz FLPOFNSETRXNCV-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133992249 276194627 /nfs/dbraw/zinc/19/46/27/276194627.db2.gz RQOJAEWRLQIWLE-MOPGFXCFSA-N 2 1 307.526 2.986 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(OC)nc2C)[C@H](C)C1 ZINC000359227500 276213769 /nfs/dbraw/zinc/21/37/69/276213769.db2.gz LKFAEHXBTXTNPV-RHSMWYFYSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(OC)nc2C)[C@H](C)C1 ZINC000359227500 276213770 /nfs/dbraw/zinc/21/37/70/276213770.db2.gz LKFAEHXBTXTNPV-RHSMWYFYSA-N 2 1 305.466 2.869 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(OC)nc2C)[C@H](C)C1 ZINC000359227500 276213771 /nfs/dbraw/zinc/21/37/71/276213771.db2.gz LKFAEHXBTXTNPV-RHSMWYFYSA-N 2 1 305.466 2.869 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(OC)nc2C)[C@H](C)C1 ZINC000359227500 276213772 /nfs/dbraw/zinc/21/37/72/276213772.db2.gz LKFAEHXBTXTNPV-RHSMWYFYSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000120682165 276216778 /nfs/dbraw/zinc/21/67/78/276216778.db2.gz OOBVYWZZHLLPNP-CXAGYDPISA-N 2 1 322.424 2.555 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000430546626 429690170 /nfs/dbraw/zinc/69/01/70/429690170.db2.gz SEXMAJZKHJHHIZ-CYBMUJFWSA-N 2 1 323.868 2.989 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617737 429686295 /nfs/dbraw/zinc/68/62/95/429686295.db2.gz REFKDWHUZHEHQY-QRVBRYPASA-N 2 1 319.468 2.720 20 0 DFADMP CN(CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617737 429686300 /nfs/dbraw/zinc/68/63/00/429686300.db2.gz REFKDWHUZHEHQY-QRVBRYPASA-N 2 1 319.468 2.720 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000430591043 429699287 /nfs/dbraw/zinc/69/92/87/429699287.db2.gz JNONHGFIHWPAPJ-OAHLLOKOSA-N 2 1 311.857 2.974 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271254542 276332127 /nfs/dbraw/zinc/33/21/27/276332127.db2.gz GGNGRCUBQFQSNX-VQTJNVASSA-N 2 1 315.505 2.925 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000430574969 429693538 /nfs/dbraw/zinc/69/35/38/429693538.db2.gz PLBNEUBMRHTLNM-JFIYKMOQSA-N 2 1 319.493 2.600 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000430574969 429693541 /nfs/dbraw/zinc/69/35/41/429693541.db2.gz PLBNEUBMRHTLNM-JFIYKMOQSA-N 2 1 319.493 2.600 20 0 DFADMP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367659049 429694637 /nfs/dbraw/zinc/69/46/37/429694637.db2.gz RZTQKIGJZCKPBQ-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367659049 429694640 /nfs/dbraw/zinc/69/46/40/429694640.db2.gz RZTQKIGJZCKPBQ-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP CC(=O)c1ccc(NC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000430586684 429695695 /nfs/dbraw/zinc/69/56/95/429695695.db2.gz WZXBYKNXFVFIAX-QGZVFWFLSA-N 2 1 319.449 2.523 20 0 DFADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000430580538 429697077 /nfs/dbraw/zinc/69/70/77/429697077.db2.gz RZDZMRMZJUZHNN-OAHLLOKOSA-N 2 1 315.820 2.771 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430593010 429698106 /nfs/dbraw/zinc/69/81/06/429698106.db2.gz OBWJQMAATVTLBY-XYJFISCASA-N 2 1 319.493 2.866 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430593010 429698109 /nfs/dbraw/zinc/69/81/09/429698109.db2.gz OBWJQMAATVTLBY-XYJFISCASA-N 2 1 319.493 2.866 20 0 DFADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430598456 429698211 /nfs/dbraw/zinc/69/82/11/429698211.db2.gz OHAWDOCKRSSKQU-WMZOPIPTSA-N 2 1 319.493 2.647 20 0 DFADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430598456 429698217 /nfs/dbraw/zinc/69/82/17/429698217.db2.gz OHAWDOCKRSSKQU-WMZOPIPTSA-N 2 1 319.493 2.647 20 0 DFADMP C[C@H]1CC[N@@H+](CCN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000526106552 429701581 /nfs/dbraw/zinc/70/15/81/429701581.db2.gz NENZJQBNCDFHME-BBRMVZONSA-N 2 1 302.397 2.570 20 0 DFADMP Cc1nc([C@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000367710193 429705572 /nfs/dbraw/zinc/70/55/72/429705572.db2.gz VLKHIZNAVKUQQC-ZDUSSCGKSA-N 2 1 315.421 2.682 20 0 DFADMP Cc1nc([C@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000367710193 429705575 /nfs/dbraw/zinc/70/55/75/429705575.db2.gz VLKHIZNAVKUQQC-ZDUSSCGKSA-N 2 1 315.421 2.682 20 0 DFADMP CCCN(C(=O)C[C@@H](C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000430689797 429709395 /nfs/dbraw/zinc/70/93/95/429709395.db2.gz BEBJGXPVAUEPAI-SJLPKXTDSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000430748240 429714072 /nfs/dbraw/zinc/71/40/72/429714072.db2.gz PNUOWNIULKBGAC-NBOOPKSLSA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000430770089 429716493 /nfs/dbraw/zinc/71/64/93/429716493.db2.gz NLLQZVXSMJFDQH-HNAYVOBHSA-N 2 1 315.461 2.999 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000430797351 429717339 /nfs/dbraw/zinc/71/73/39/429717339.db2.gz OMTBLZVFQZNEEQ-LMSBXDPUSA-N 2 1 317.477 2.654 20 0 DFADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000367810042 429721336 /nfs/dbraw/zinc/72/13/36/429721336.db2.gz MHSLMVIGXZEMTM-CQSZACIVSA-N 2 1 307.413 2.777 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000367809764 429722136 /nfs/dbraw/zinc/72/21/36/429722136.db2.gz JBPBMSQLTNWCBB-OAHLLOKOSA-N 2 1 307.413 2.921 20 0 DFADMP Cc1ccncc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000450910875 429727682 /nfs/dbraw/zinc/72/76/82/429727682.db2.gz YMCOJUUZPVEJNM-UHFFFAOYSA-N 2 1 324.472 2.644 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000431047079 429738314 /nfs/dbraw/zinc/73/83/14/429738314.db2.gz WRTMSRHKVFQABW-MSOLQXFVSA-N 2 1 317.477 2.532 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431078687 429739294 /nfs/dbraw/zinc/73/92/94/429739294.db2.gz GRTGZJQPYCIOGI-UONOGXRCSA-N 2 1 314.433 2.950 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431078688 429740572 /nfs/dbraw/zinc/74/05/72/429740572.db2.gz GRTGZJQPYCIOGI-ZIAGYGMSSA-N 2 1 314.433 2.950 20 0 DFADMP C[N@@H+](CCN1CCCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367906496 429740925 /nfs/dbraw/zinc/74/09/25/429740925.db2.gz RDVLLDLQVJDJSQ-UHFFFAOYSA-N 2 1 316.493 2.716 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)CC23CC3)cc1 ZINC000527788442 429798404 /nfs/dbraw/zinc/79/84/04/429798404.db2.gz HLIGKYROOSPDKE-FDYSRKEFSA-N 2 1 312.457 2.952 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC34CC(C3)CO4)CC23CC3)cc1 ZINC000527788442 429798409 /nfs/dbraw/zinc/79/84/09/429798409.db2.gz HLIGKYROOSPDKE-FDYSRKEFSA-N 2 1 312.457 2.952 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@@H+](C[C@@H]3CCCOC3)C1)CCCC2 ZINC000432081749 429798709 /nfs/dbraw/zinc/79/87/09/429798709.db2.gz RUOOZVSBIAYYQX-HOTGVXAUSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@@H]3CCCOC3)C1)CCCC2 ZINC000432081749 429798712 /nfs/dbraw/zinc/79/87/12/429798712.db2.gz RUOOZVSBIAYYQX-HOTGVXAUSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@@H]3CCCOC3)C1)CCCC2 ZINC000432081749 429798714 /nfs/dbraw/zinc/79/87/14/429798714.db2.gz RUOOZVSBIAYYQX-HOTGVXAUSA-N 2 1 303.450 2.744 20 0 DFADMP CCn1ccnc1CN1CC[C@H](n2c(C)nc3c2CCCC3)C1 ZINC000432075314 429799277 /nfs/dbraw/zinc/79/92/77/429799277.db2.gz FAOCPPQTHBRUEZ-HNNXBMFYSA-N 2 1 313.449 2.734 20 0 DFADMP Cc1n[nH]cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367958553 429751995 /nfs/dbraw/zinc/75/19/95/429751995.db2.gz DPNPLVBLPOKZSY-HKUYNNGSSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367958553 429752000 /nfs/dbraw/zinc/75/20/00/429752000.db2.gz DPNPLVBLPOKZSY-HKUYNNGSSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367958553 429752004 /nfs/dbraw/zinc/75/20/04/429752004.db2.gz DPNPLVBLPOKZSY-HKUYNNGSSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1cn[nH]c1CN1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955195 429752183 /nfs/dbraw/zinc/75/21/83/429752183.db2.gz AEXSSCCQDNPHSP-QZTJIDSGSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1cn[nH]c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955195 429752187 /nfs/dbraw/zinc/75/21/87/429752187.db2.gz AEXSSCCQDNPHSP-QZTJIDSGSA-N 2 1 310.445 2.672 20 0 DFADMP C=Cn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367959019 429754688 /nfs/dbraw/zinc/75/46/88/429754688.db2.gz FONIRTWBCYMFJM-WOJBJXKFSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367959019 429754697 /nfs/dbraw/zinc/75/46/97/429754697.db2.gz FONIRTWBCYMFJM-WOJBJXKFSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367959019 429754700 /nfs/dbraw/zinc/75/47/00/429754700.db2.gz FONIRTWBCYMFJM-WOJBJXKFSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000367959019 429754702 /nfs/dbraw/zinc/75/47/02/429754702.db2.gz FONIRTWBCYMFJM-WOJBJXKFSA-N 2 1 322.456 2.938 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C\c2ccncc2)C[C@H](C)O1 ZINC000486940920 429755490 /nfs/dbraw/zinc/75/54/90/429755490.db2.gz QIIJCPKITOJCJR-YKZUCCNHSA-N 2 1 303.450 2.574 20 0 DFADMP C(=C/c1ccncc1)\C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000486983234 429759697 /nfs/dbraw/zinc/75/96/97/429759697.db2.gz CCPBDOAHBSONDA-OWOJBTEDSA-N 2 1 323.440 2.717 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487067488 429762118 /nfs/dbraw/zinc/76/21/18/429762118.db2.gz PFOYPCQKTUKDQI-FUHWJXTLSA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+]1CCC(CC(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000487067875 429764322 /nfs/dbraw/zinc/76/43/22/429764322.db2.gz HPVKHSHRPYLSTQ-UHFFFAOYSA-N 2 1 321.509 2.513 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2[C@@H]1CCc2ccccc21 ZINC000368017759 429767307 /nfs/dbraw/zinc/76/73/07/429767307.db2.gz IDEBVVOVFCOFQH-NXWXRZEISA-N 2 1 300.446 2.857 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1cccs1 ZINC000431572251 429771241 /nfs/dbraw/zinc/77/12/41/429771241.db2.gz SRYZOBFPMJPOQA-GJZGRUSLSA-N 2 1 323.506 2.732 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431741291 429780901 /nfs/dbraw/zinc/78/09/01/429780901.db2.gz JKRNNHWOJWCUOO-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431741291 429780904 /nfs/dbraw/zinc/78/09/04/429780904.db2.gz JKRNNHWOJWCUOO-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431741291 429780907 /nfs/dbraw/zinc/78/09/07/429780907.db2.gz JKRNNHWOJWCUOO-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431741293 429781282 /nfs/dbraw/zinc/78/12/82/429781282.db2.gz JKRNNHWOJWCUOO-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431741293 429781283 /nfs/dbraw/zinc/78/12/83/429781283.db2.gz JKRNNHWOJWCUOO-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431741293 429781285 /nfs/dbraw/zinc/78/12/85/429781285.db2.gz JKRNNHWOJWCUOO-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cnn1C(C)(C)C ZINC000368103527 429788451 /nfs/dbraw/zinc/78/84/51/429788451.db2.gz WQXNDIVZBOUKIF-AAEUAGOBSA-N 2 1 301.438 2.878 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000493602782 429793956 /nfs/dbraw/zinc/79/39/56/429793956.db2.gz ORTDAWFPWSOPLK-PBWTXFEYSA-N 2 1 307.526 2.959 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000493602782 429793960 /nfs/dbraw/zinc/79/39/60/429793960.db2.gz ORTDAWFPWSOPLK-PBWTXFEYSA-N 2 1 307.526 2.959 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000368131975 429794707 /nfs/dbraw/zinc/79/47/07/429794707.db2.gz CTBGFHATAGHTRT-HNNXBMFYSA-N 2 1 314.433 2.833 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCCO1 ZINC000432422207 429821605 /nfs/dbraw/zinc/82/16/05/429821605.db2.gz SKQYPIJMWJTPBK-RDTXWAMCSA-N 2 1 322.880 2.898 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCCO1 ZINC000432422207 429821609 /nfs/dbraw/zinc/82/16/09/429821609.db2.gz SKQYPIJMWJTPBK-RDTXWAMCSA-N 2 1 322.880 2.898 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415553 429822163 /nfs/dbraw/zinc/82/21/63/429822163.db2.gz NJYHZIKHMJSRNA-JKSUJKDBSA-N 2 1 318.461 2.868 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415553 429822165 /nfs/dbraw/zinc/82/21/65/429822165.db2.gz NJYHZIKHMJSRNA-JKSUJKDBSA-N 2 1 318.461 2.868 20 0 DFADMP CC(C)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000432413385 429822213 /nfs/dbraw/zinc/82/22/13/429822213.db2.gz LYTLKVSSSTVVQD-AEFFLSMTSA-N 2 1 305.466 2.869 20 0 DFADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000432413385 429822217 /nfs/dbraw/zinc/82/22/17/429822217.db2.gz LYTLKVSSSTVVQD-AEFFLSMTSA-N 2 1 305.466 2.869 20 0 DFADMP C[C@@H](O)c1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000368274055 429822283 /nfs/dbraw/zinc/82/22/83/429822283.db2.gz PZBACWVALBZETC-CYBMUJFWSA-N 2 1 309.479 2.504 20 0 DFADMP C[C@@H](O)c1cnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000368274055 429822285 /nfs/dbraw/zinc/82/22/85/429822285.db2.gz PZBACWVALBZETC-CYBMUJFWSA-N 2 1 309.479 2.504 20 0 DFADMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cn1 ZINC000432424731 429823232 /nfs/dbraw/zinc/82/32/32/429823232.db2.gz QTCQDYYCYGYUTK-CVEARBPZSA-N 2 1 308.470 2.616 20 0 DFADMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cn1 ZINC000432424731 429823236 /nfs/dbraw/zinc/82/32/36/429823236.db2.gz QTCQDYYCYGYUTK-CVEARBPZSA-N 2 1 308.470 2.616 20 0 DFADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C(C)C ZINC000432431237 429824142 /nfs/dbraw/zinc/82/41/42/429824142.db2.gz VTMXWFWEQAKQMR-HOTGVXAUSA-N 2 1 322.497 2.924 20 0 DFADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1C(C)C ZINC000432431237 429824146 /nfs/dbraw/zinc/82/41/46/429824146.db2.gz VTMXWFWEQAKQMR-HOTGVXAUSA-N 2 1 322.497 2.924 20 0 DFADMP C[C@H]([NH2+]CC12CC(C1)CO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527977406 429829586 /nfs/dbraw/zinc/82/95/86/429829586.db2.gz FKWPDRWLNQYBGY-BARLLCKDSA-N 2 1 300.446 2.666 20 0 DFADMP C[C@@H]1[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H]1c1ccccc1 ZINC000368355581 429836603 /nfs/dbraw/zinc/83/66/03/429836603.db2.gz XWSWFDJPOBSKPN-YSIASYRMSA-N 2 1 315.505 2.796 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)CCC2CCOCC2)[C@@H]1c1cccnc1 ZINC000432795834 429842009 /nfs/dbraw/zinc/84/20/09/429842009.db2.gz ZBYCQITZDQRHTH-OALUTQOASA-N 2 1 317.477 2.823 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000494362443 429869146 /nfs/dbraw/zinc/86/91/46/429869146.db2.gz AZSSBTRBMITMFQ-UHFFFAOYSA-N 2 1 319.474 2.805 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368445209 429850365 /nfs/dbraw/zinc/85/03/65/429850365.db2.gz ITNNDCRKWAOJEX-JFIYKMOQSA-N 2 1 315.461 2.644 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527846974 429808658 /nfs/dbraw/zinc/80/86/58/429808658.db2.gz ZYEFDBRSBGLATN-JYJNAYRXSA-N 2 1 319.518 2.815 20 0 DFADMP CC(C)c1nn(C)c(Cl)c1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368216907 429809870 /nfs/dbraw/zinc/80/98/70/429809870.db2.gz BPCZXKVTPZLLHV-JTQLQIEISA-N 2 1 307.829 2.567 20 0 DFADMP CC[C@]1(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)CCC[NH2+]1 ZINC000368659613 429883994 /nfs/dbraw/zinc/88/39/94/429883994.db2.gz OOWPYDGTHHJLNS-CRAIPNDOSA-N 2 1 318.465 2.702 20 0 DFADMP COc1cccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1OC(F)F ZINC000368845529 429898414 /nfs/dbraw/zinc/89/84/14/429898414.db2.gz MQJZPYXYZXZIBT-LBPRGKRZSA-N 2 1 323.343 2.598 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000368871543 429899346 /nfs/dbraw/zinc/89/93/46/429899346.db2.gz ZMSOMVOQIKPPAY-UHFFFAOYSA-N 2 1 315.421 2.722 20 0 DFADMP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000369186993 429917774 /nfs/dbraw/zinc/91/77/74/429917774.db2.gz GCDOVHCYHSJNFJ-SQNIBIBYSA-N 2 1 302.466 2.689 20 0 DFADMP Cc1cccc(NC2CC[NH+](CCO[C@@H]3CCCCO3)CC2)[nH+]1 ZINC000369335720 429924828 /nfs/dbraw/zinc/92/48/28/429924828.db2.gz SFIVQXKWARKEIE-GOSISDBHSA-N 2 1 319.449 2.810 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000369487005 429955638 /nfs/dbraw/zinc/95/56/38/429955638.db2.gz YQDJTQMOZOMIIY-AWEZNQCLSA-N 2 1 311.389 2.839 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000369487005 429955644 /nfs/dbraw/zinc/95/56/44/429955644.db2.gz YQDJTQMOZOMIIY-AWEZNQCLSA-N 2 1 311.389 2.839 20 0 DFADMP O[C@]1(C[NH2+]C2(C3CCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639728704 429961317 /nfs/dbraw/zinc/96/13/17/429961317.db2.gz DHDMRSJEKZQBOK-SFHVURJKSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@]1(C[NH2+]C2(C3CCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639728704 429961321 /nfs/dbraw/zinc/96/13/21/429961321.db2.gz DHDMRSJEKZQBOK-SFHVURJKSA-N 2 1 300.446 2.546 20 0 DFADMP C[NH+](C)CCNc1ccc(-c2cccc(C[N@@H+](C)C3CC3)c2)cn1 ZINC000629708111 429962759 /nfs/dbraw/zinc/96/27/59/429962759.db2.gz AUNBOBSPNNWGGH-UHFFFAOYSA-N 2 1 324.472 3.316 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCCC1 ZINC000639758940 429972837 /nfs/dbraw/zinc/97/28/37/429972837.db2.gz YGTAUVULWMULJP-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000573711273 429975680 /nfs/dbraw/zinc/97/56/80/429975680.db2.gz ANSOTHRCPAVLTA-KBXCAEBGSA-N 2 1 313.449 2.826 20 0 DFADMP C[C@H](c1ccc(F)cc1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369360925 429929632 /nfs/dbraw/zinc/92/96/32/429929632.db2.gz ZGZLOPWXXXWZGO-CRAIPNDOSA-N 2 1 305.441 2.599 20 0 DFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000573263361 429938911 /nfs/dbraw/zinc/93/89/11/429938911.db2.gz XGSQFNPERQOFRE-FUHWJXTLSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000573263361 429938917 /nfs/dbraw/zinc/93/89/17/429938917.db2.gz XGSQFNPERQOFRE-FUHWJXTLSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000573263360 429938986 /nfs/dbraw/zinc/93/89/86/429938986.db2.gz XGSQFNPERQOFRE-AEFFLSMTSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000573263360 429938989 /nfs/dbraw/zinc/93/89/89/429938989.db2.gz XGSQFNPERQOFRE-AEFFLSMTSA-N 2 1 322.493 2.611 20 0 DFADMP Cc1ccc(CC2(O)CC[NH+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000369407318 429939098 /nfs/dbraw/zinc/93/90/98/429939098.db2.gz GJGZRMYQHDILHP-UHFFFAOYSA-N 2 1 316.489 2.850 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C12CCCCC2 ZINC000369433029 429942624 /nfs/dbraw/zinc/94/26/24/429942624.db2.gz CCWCQPPWCWVRCQ-HRCADAONSA-N 2 1 303.450 2.915 20 0 DFADMP COc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1F ZINC000639682237 429944142 /nfs/dbraw/zinc/94/41/42/429944142.db2.gz OIPRFFSNNPUNBV-UHFFFAOYSA-N 2 1 315.392 2.942 20 0 DFADMP Cc1cnc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c(C)c1 ZINC000639683121 429945898 /nfs/dbraw/zinc/94/58/98/429945898.db2.gz HMIIADMYJGNJGW-UHFFFAOYSA-N 2 1 310.445 2.848 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(OC)c(OC)c1 ZINC000369445529 429946052 /nfs/dbraw/zinc/94/60/52/429946052.db2.gz WQOQBFPUDCOWPL-GJZGRUSLSA-N 2 1 315.417 2.956 20 0 DFADMP Clc1cnccc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682996 429946075 /nfs/dbraw/zinc/94/60/75/429946075.db2.gz PHZDRJRJHZNOLK-UHFFFAOYSA-N 2 1 302.809 2.842 20 0 DFADMP Clc1cnccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682996 429946077 /nfs/dbraw/zinc/94/60/77/429946077.db2.gz PHZDRJRJHZNOLK-UHFFFAOYSA-N 2 1 302.809 2.842 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCC2=O)cc1 ZINC000369447143 429946248 /nfs/dbraw/zinc/94/62/48/429946248.db2.gz ZZIBOPVFRDRGPM-ZBFHGGJFSA-N 2 1 324.428 2.676 20 0 DFADMP c1ccc2nc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cnc2c1 ZINC000639684101 429946824 /nfs/dbraw/zinc/94/68/24/429946824.db2.gz QYIOCIXWLIIUTA-UHFFFAOYSA-N 2 1 319.412 2.737 20 0 DFADMP CC1=CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000560484190 430049044 /nfs/dbraw/zinc/04/90/44/430049044.db2.gz MPQKNIMTYHARRD-OALUTQOASA-N 2 1 300.446 2.712 20 0 DFADMP CC1=CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560484190 430049048 /nfs/dbraw/zinc/04/90/48/430049048.db2.gz MPQKNIMTYHARRD-OALUTQOASA-N 2 1 300.446 2.712 20 0 DFADMP Cc1cc(C)cc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000574457849 430043585 /nfs/dbraw/zinc/04/35/85/430043585.db2.gz VQVYYPXXPZQHAQ-UHFFFAOYSA-N 2 1 302.462 2.630 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639986452 430045898 /nfs/dbraw/zinc/04/58/98/430045898.db2.gz WWLVXWGQSYYRGA-UHFFFAOYSA-N 2 1 304.463 2.993 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2CC(C)(C)C2)CC1 ZINC000573900735 429992213 /nfs/dbraw/zinc/99/22/13/429992213.db2.gz YWDQCUUHLFCXLJ-UHFFFAOYSA-N 2 1 316.449 2.598 20 0 DFADMP O[C@]1(C[N@@H+]2CCC[C@H](CCF)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639824901 429994475 /nfs/dbraw/zinc/99/44/75/429994475.db2.gz OFNFMQWXRCYKIT-MOPGFXCFSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@]1(C[N@H+]2CCC[C@H](CCF)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639824901 429994478 /nfs/dbraw/zinc/99/44/78/429994478.db2.gz OFNFMQWXRCYKIT-MOPGFXCFSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@]1(C[NH+]2CCC[C@H](CCF)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639824901 429994482 /nfs/dbraw/zinc/99/44/82/429994482.db2.gz OFNFMQWXRCYKIT-MOPGFXCFSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@]1(C[NH+]2CCC[C@H](CCF)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639824901 429994484 /nfs/dbraw/zinc/99/44/84/429994484.db2.gz OFNFMQWXRCYKIT-MOPGFXCFSA-N 2 1 320.452 2.695 20 0 DFADMP CC1=CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000560484191 430048078 /nfs/dbraw/zinc/04/80/78/430048078.db2.gz MPQKNIMTYHARRD-RBUKOAKNSA-N 2 1 300.446 2.712 20 0 DFADMP CC1=CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560484191 430048081 /nfs/dbraw/zinc/04/80/81/430048081.db2.gz MPQKNIMTYHARRD-RBUKOAKNSA-N 2 1 300.446 2.712 20 0 DFADMP CO[C@H]1C[N@H+](CCCCCn2c(C)nc3ccccc32)CCO1 ZINC000639836527 429999118 /nfs/dbraw/zinc/99/91/18/429999118.db2.gz HYSIVGXSUAPELZ-GOSISDBHSA-N 2 1 317.433 2.820 20 0 DFADMP CO[C@H]1C[N@@H+](CCCCCn2c(C)nc3ccccc32)CCO1 ZINC000639836527 429999120 /nfs/dbraw/zinc/99/91/20/429999120.db2.gz HYSIVGXSUAPELZ-GOSISDBHSA-N 2 1 317.433 2.820 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000574032808 430004486 /nfs/dbraw/zinc/00/44/86/430004486.db2.gz WSFHGLZNPGHOIC-HKUYNNGSSA-N 2 1 304.478 2.834 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](c1ccncc1)C1(CO)CCC1 ZINC000639879309 430008964 /nfs/dbraw/zinc/00/89/64/430008964.db2.gz NYUBPHXPDPFHHS-KRWDZBQOSA-N 2 1 305.466 2.607 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[NH+](CC3CC3)CC2)c2ccccn21 ZINC000574091963 430009171 /nfs/dbraw/zinc/00/91/71/430009171.db2.gz PAWUHPUOTRZLDQ-UHFFFAOYSA-N 2 1 312.461 2.985 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC(F)(F)C1 ZINC000529540062 430023656 /nfs/dbraw/zinc/02/36/56/430023656.db2.gz DSXVASAKTWVHIO-SUMWQHHRSA-N 2 1 324.415 2.777 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCC3(F)F)C2)CC1 ZINC000560218239 430026356 /nfs/dbraw/zinc/02/63/56/430026356.db2.gz PQPQVWHGKVRGHH-HZPDHXFCSA-N 2 1 315.452 2.522 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000634732992 430093055 /nfs/dbraw/zinc/09/30/55/430093055.db2.gz TXIWPEZFRRPEJW-CYBMUJFWSA-N 2 1 306.841 2.856 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562101097 430109295 /nfs/dbraw/zinc/10/92/95/430109295.db2.gz ZGRJUBKWRAKALT-DGCLKSJQSA-N 2 1 324.428 2.848 20 0 DFADMP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnccn2)CC1 ZINC000560603900 430058808 /nfs/dbraw/zinc/05/88/08/430058808.db2.gz NDXLFLZETYFUIM-UHFFFAOYSA-N 2 1 310.445 2.998 20 0 DFADMP C[C@]1(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634649036 430065009 /nfs/dbraw/zinc/06/50/09/430065009.db2.gz FDTISNCXNMVSPX-DLBZAZTESA-N 2 1 324.415 2.648 20 0 DFADMP C[C@]1(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634649036 430065012 /nfs/dbraw/zinc/06/50/12/430065012.db2.gz FDTISNCXNMVSPX-DLBZAZTESA-N 2 1 324.415 2.648 20 0 DFADMP O[C@@]1(C[NH2+]CC(C2CC2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634706540 430085332 /nfs/dbraw/zinc/08/53/32/430085332.db2.gz RDBRCPRUJHKUMQ-HXUWFJFHSA-N 2 1 314.473 2.649 20 0 DFADMP O[C@@]1(C[NH2+]CC(C2CC2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634706540 430085336 /nfs/dbraw/zinc/08/53/36/430085336.db2.gz RDBRCPRUJHKUMQ-HXUWFJFHSA-N 2 1 314.473 2.649 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000562617998 430155444 /nfs/dbraw/zinc/15/54/44/430155444.db2.gz ZCYSKPHXAMSANP-JKSUJKDBSA-N 2 1 304.482 2.910 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCC2CCCCC2)C[C@@H]1C ZINC000580983123 430168103 /nfs/dbraw/zinc/16/81/03/430168103.db2.gz UNJUANFRISNYLI-FUHWJXTLSA-N 2 1 323.525 2.878 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3ccon3)CC2)cs1 ZINC000634961509 430175796 /nfs/dbraw/zinc/17/57/96/430175796.db2.gz WRERRWSSDHVZJL-UHFFFAOYSA-N 2 1 320.462 2.695 20 0 DFADMP [NH3+]Cc1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000637800310 430133812 /nfs/dbraw/zinc/13/38/12/430133812.db2.gz DDUAUSMJUUSMBC-KRWDZBQOSA-N 2 1 309.413 2.606 20 0 DFADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000531288727 430136168 /nfs/dbraw/zinc/13/61/68/430136168.db2.gz IZVYENDTLZHSKK-OKILXGFUSA-N 2 1 319.449 2.568 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCOc2cc(F)cc(F)c21 ZINC000562571819 430148434 /nfs/dbraw/zinc/14/84/34/430148434.db2.gz MRINROFDVZSOJO-AWEZNQCLSA-N 2 1 307.344 2.744 20 0 DFADMP C[C@@H]1C[C@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634992467 430185624 /nfs/dbraw/zinc/18/56/24/430185624.db2.gz PYXOYYZBLLAXJN-IHJVYAAUSA-N 2 1 313.489 2.723 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000269836000 277051444 /nfs/dbraw/zinc/05/14/44/277051444.db2.gz ASDPMUZBFMAERY-QGZVFWFLSA-N 2 1 323.431 2.569 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049634 277059821 /nfs/dbraw/zinc/05/98/21/277059821.db2.gz WQBUBOKGMJUEEW-RTBURBONSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049634 277059822 /nfs/dbraw/zinc/05/98/22/277059822.db2.gz WQBUBOKGMJUEEW-RTBURBONSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049634 277059823 /nfs/dbraw/zinc/05/98/23/277059823.db2.gz WQBUBOKGMJUEEW-RTBURBONSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581130968 430180739 /nfs/dbraw/zinc/18/07/39/430180739.db2.gz AYUGSKUDYRMGAB-GOSISDBHSA-N 2 1 301.478 2.725 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000581130968 430180743 /nfs/dbraw/zinc/18/07/43/430180743.db2.gz AYUGSKUDYRMGAB-GOSISDBHSA-N 2 1 301.478 2.725 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292894208 277078942 /nfs/dbraw/zinc/07/89/42/277078942.db2.gz ZABPZQFLLREPNW-ZWKOTPCHSA-N 2 1 302.462 2.964 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000634994400 430187648 /nfs/dbraw/zinc/18/76/48/430187648.db2.gz BNKSUTPRKQQLNB-FQEVSTJZSA-N 2 1 322.456 2.906 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000634994400 430187654 /nfs/dbraw/zinc/18/76/54/430187654.db2.gz BNKSUTPRKQQLNB-FQEVSTJZSA-N 2 1 322.456 2.906 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563394664 430187828 /nfs/dbraw/zinc/18/78/28/430187828.db2.gz MPFMLEVFNWZDIV-MRXNPFEDSA-N 2 1 319.493 2.641 20 0 DFADMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1OC(F)F ZINC000635000006 430189003 /nfs/dbraw/zinc/18/90/03/430189003.db2.gz FFMPSTOXQVSMIA-DGCLKSJQSA-N 2 1 314.376 2.713 20 0 DFADMP CCOc1cccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)c1OC(F)F ZINC000635000006 430189005 /nfs/dbraw/zinc/18/90/05/430189005.db2.gz FFMPSTOXQVSMIA-DGCLKSJQSA-N 2 1 314.376 2.713 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999163 430189277 /nfs/dbraw/zinc/18/92/77/430189277.db2.gz QUKWPTMCBLZQCN-RDTXWAMCSA-N 2 1 311.429 2.784 20 0 DFADMP CCC[C@@H](C[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635000244 430190014 /nfs/dbraw/zinc/19/00/14/430190014.db2.gz KCUKAYHQGYWTSE-FUHWJXTLSA-N 2 1 313.449 2.568 20 0 DFADMP C[C@H]([NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000635003503 430191377 /nfs/dbraw/zinc/19/13/77/430191377.db2.gz KFMKYVRHAQSKCE-UPQAZBFISA-N 2 1 321.262 2.817 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530168 430192735 /nfs/dbraw/zinc/19/27/35/430192735.db2.gz AJAVMHSVGVVRRY-IAGOWNOFSA-N 2 1 311.514 2.878 20 0 DFADMP C[C@@H](C(=O)N1CCCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531456 430192932 /nfs/dbraw/zinc/19/29/32/430192932.db2.gz JWXGHDRACQPRGP-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP OCC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(F)c1 ZINC000635006053 430193694 /nfs/dbraw/zinc/19/36/94/430193694.db2.gz XFUVMTLCBMQTSL-TUURBPCVSA-N 2 1 312.816 2.775 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000635014127 430198297 /nfs/dbraw/zinc/19/82/97/430198297.db2.gz YHHXHDCESBXJRH-CEXWTWQISA-N 2 1 301.478 2.752 20 0 DFADMP c1ccc(C[N@H+]2CCCCC[C@H](NC3CC[NH2+]CC3)C2)cc1 ZINC000635016488 430198357 /nfs/dbraw/zinc/19/83/57/430198357.db2.gz CCCKPUKSCCVHGM-IBGZPJMESA-N 2 1 301.478 2.773 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000635013688 430198457 /nfs/dbraw/zinc/19/84/57/430198457.db2.gz VCKWLSNCPAEJGK-GBESFXJTSA-N 2 1 301.478 2.676 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000635013688 430198460 /nfs/dbraw/zinc/19/84/60/430198460.db2.gz VCKWLSNCPAEJGK-GBESFXJTSA-N 2 1 301.478 2.676 20 0 DFADMP C[C@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000635117073 430211559 /nfs/dbraw/zinc/21/15/59/430211559.db2.gz OJLLHZJCZJEMIX-CZUORRHYSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@@H](CCNC(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+]1CCCCC1 ZINC000640610386 430210196 /nfs/dbraw/zinc/21/01/96/430210196.db2.gz KBOGPSRPKOXULI-AWEZNQCLSA-N 2 1 319.453 2.534 20 0 DFADMP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000638064379 430223962 /nfs/dbraw/zinc/22/39/62/430223962.db2.gz SUKINPZQDORATK-HUUCEWRRSA-N 2 1 303.450 2.855 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488379 430215263 /nfs/dbraw/zinc/21/52/63/430215263.db2.gz FTNKJNZSCCLHTF-CRAIPNDOSA-N 2 1 320.477 2.608 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488379 430215268 /nfs/dbraw/zinc/21/52/68/430215268.db2.gz FTNKJNZSCCLHTF-CRAIPNDOSA-N 2 1 320.477 2.608 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488379 430215273 /nfs/dbraw/zinc/21/52/73/430215273.db2.gz FTNKJNZSCCLHTF-CRAIPNDOSA-N 2 1 320.477 2.608 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488379 430215277 /nfs/dbraw/zinc/21/52/77/430215277.db2.gz FTNKJNZSCCLHTF-CRAIPNDOSA-N 2 1 320.477 2.608 20 0 DFADMP C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000635303914 430249623 /nfs/dbraw/zinc/24/96/23/430249623.db2.gz PIWXWJYUDUWNEW-JKSUJKDBSA-N 2 1 317.477 2.627 20 0 DFADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000566230256 430250691 /nfs/dbraw/zinc/25/06/91/430250691.db2.gz VTANGSAQAMFFHJ-RBUKOAKNSA-N 2 1 322.456 2.965 20 0 DFADMP COc1cncc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1C ZINC000638147421 430252282 /nfs/dbraw/zinc/25/22/82/430252282.db2.gz SEEUDMKRFYDVPQ-INIZCTEOSA-N 2 1 300.406 2.568 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000566482476 430265377 /nfs/dbraw/zinc/26/53/77/430265377.db2.gz NWGLIAREMNIDIB-IPMKNSEASA-N 2 1 301.478 2.757 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)C1CC1 ZINC000566482476 430265382 /nfs/dbraw/zinc/26/53/82/430265382.db2.gz NWGLIAREMNIDIB-IPMKNSEASA-N 2 1 301.478 2.757 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000640878404 430275193 /nfs/dbraw/zinc/27/51/93/430275193.db2.gz AGSFXOQVYZLTFQ-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP CC[NH+](CC)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635447021 430281082 /nfs/dbraw/zinc/28/10/82/430281082.db2.gz IKHZILDEJFHKED-UHFFFAOYSA-N 2 1 311.514 2.545 20 0 DFADMP CC[NH2+][C@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000638071394 430225788 /nfs/dbraw/zinc/22/57/88/430225788.db2.gz IVJHJIDDEVLMPW-CQSZACIVSA-N 2 1 314.433 2.991 20 0 DFADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542852047 430230317 /nfs/dbraw/zinc/23/03/17/430230317.db2.gz OSWWUPLURXVNBR-ATZDWAIDSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000566092531 430241076 /nfs/dbraw/zinc/24/10/76/430241076.db2.gz JRPLPCPDLCMNFJ-SJKOYZFVSA-N 2 1 301.434 2.739 20 0 DFADMP C[NH+](C)CCCN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638289396 430294995 /nfs/dbraw/zinc/29/49/95/430294995.db2.gz HPKMZKLTADPLNU-PKOBYXMFSA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638289395 430295026 /nfs/dbraw/zinc/29/50/26/430295026.db2.gz HPKMZKLTADPLNU-MJGOQNOKSA-N 2 1 301.478 2.896 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@H]1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000641168162 430350105 /nfs/dbraw/zinc/35/01/05/430350105.db2.gz CNENRFQQGKVPNM-KRWDZBQOSA-N 2 1 305.470 2.527 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000641168162 430350106 /nfs/dbraw/zinc/35/01/06/430350106.db2.gz CNENRFQQGKVPNM-KRWDZBQOSA-N 2 1 305.470 2.527 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]CC1CCSCC1 ZINC000638305063 430298945 /nfs/dbraw/zinc/29/89/45/430298945.db2.gz PINLWBWOROGLMY-UHFFFAOYSA-N 2 1 320.502 2.752 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC1(F)F ZINC000638305425 430298960 /nfs/dbraw/zinc/29/89/60/430298960.db2.gz XJFJXVJDYKOMOQ-CJNGLKHVSA-N 2 1 310.388 2.652 20 0 DFADMP CC[C@@H](C)[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)OC ZINC000638304347 430299166 /nfs/dbraw/zinc/29/91/66/430299166.db2.gz FWOAHCQRRZACHL-APWZRJJASA-N 2 1 320.477 2.670 20 0 DFADMP CO[C@@H](C[NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638311301 430301110 /nfs/dbraw/zinc/30/11/10/430301110.db2.gz ZCJYQLCENDBQBV-IBGZPJMESA-N 2 1 320.477 2.540 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000582449337 430301467 /nfs/dbraw/zinc/30/14/67/430301467.db2.gz XAUVWTJQVSBJSS-ICSRJNTNSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000582449337 430301470 /nfs/dbraw/zinc/30/14/70/430301470.db2.gz XAUVWTJQVSBJSS-ICSRJNTNSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000582449337 430301474 /nfs/dbraw/zinc/30/14/74/430301474.db2.gz XAUVWTJQVSBJSS-ICSRJNTNSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000582449337 430301478 /nfs/dbraw/zinc/30/14/78/430301478.db2.gz XAUVWTJQVSBJSS-ICSRJNTNSA-N 2 1 316.489 2.705 20 0 DFADMP C[N@@H+](CC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)CC(C)(C)C ZINC000638329972 430306451 /nfs/dbraw/zinc/30/64/51/430306451.db2.gz YKEBTICLRREKHC-UHFFFAOYSA-N 2 1 324.494 2.527 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051678 430311297 /nfs/dbraw/zinc/31/12/97/430311297.db2.gz XYLFKDRBDPSGOX-UHFFFAOYSA-N 3 1 301.478 2.639 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051678 430311302 /nfs/dbraw/zinc/31/13/02/430311302.db2.gz XYLFKDRBDPSGOX-UHFFFAOYSA-N 3 1 301.478 2.639 20 0 DFADMP CC[NH+]1CCC(CCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000545309477 430314948 /nfs/dbraw/zinc/31/49/48/430314948.db2.gz BFHONOLFVYUSSA-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638360906 430316922 /nfs/dbraw/zinc/31/69/22/430316922.db2.gz JPVLXTANRLGEEC-WDYCEAGBSA-N 2 1 300.446 2.981 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638360906 430316927 /nfs/dbraw/zinc/31/69/27/430316927.db2.gz JPVLXTANRLGEEC-WDYCEAGBSA-N 2 1 300.446 2.981 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC(n3cccn3)C2)C1 ZINC000638371931 430320684 /nfs/dbraw/zinc/32/06/84/430320684.db2.gz UVUNFTUHROTWOV-OQSMONGASA-N 2 1 304.482 2.934 20 0 DFADMP OCCCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638376751 430322614 /nfs/dbraw/zinc/32/26/14/430322614.db2.gz LOGVYNNFCCTNKY-QZTJIDSGSA-N 2 1 318.461 2.554 20 0 DFADMP OCCCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638376751 430322615 /nfs/dbraw/zinc/32/26/15/430322615.db2.gz LOGVYNNFCCTNKY-QZTJIDSGSA-N 2 1 318.461 2.554 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000568166343 430322752 /nfs/dbraw/zinc/32/27/52/430322752.db2.gz ITHIYRCWBSYFNI-INIZCTEOSA-N 2 1 320.481 2.638 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000568166344 430323032 /nfs/dbraw/zinc/32/30/32/430323032.db2.gz ITHIYRCWBSYFNI-MRXNPFEDSA-N 2 1 320.481 2.638 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000568176970 430324621 /nfs/dbraw/zinc/32/46/21/430324621.db2.gz JTPOYIHPIKVIMV-RCCFBDPRSA-N 2 1 305.466 2.758 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000568176970 430324624 /nfs/dbraw/zinc/32/46/24/430324624.db2.gz JTPOYIHPIKVIMV-RCCFBDPRSA-N 2 1 305.466 2.758 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(C3CC3)no2)c1 ZINC000638382288 430325053 /nfs/dbraw/zinc/32/50/53/430325053.db2.gz SSEXEBRKRHHDGZ-UHFFFAOYSA-N 2 1 315.417 2.782 20 0 DFADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000545866840 430330329 /nfs/dbraw/zinc/33/03/29/430330329.db2.gz YSVDCFTWWCPCKV-QZTJIDSGSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000545866840 430330333 /nfs/dbraw/zinc/33/03/33/430330333.db2.gz YSVDCFTWWCPCKV-QZTJIDSGSA-N 2 1 324.896 2.953 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638409115 430332908 /nfs/dbraw/zinc/33/29/08/430332908.db2.gz JDRPFTQHXDEFNG-ZWKOTPCHSA-N 2 1 301.478 2.834 20 0 DFADMP c1nc2c([nH]1)CC[C@@H]([NH2+]Cc1conc1Cc1ccccc1)C2 ZINC000582799180 430335594 /nfs/dbraw/zinc/33/55/94/430335594.db2.gz QFVOSSJOWUKVLI-OAHLLOKOSA-N 2 1 308.385 2.636 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000638419821 430336565 /nfs/dbraw/zinc/33/65/65/430336565.db2.gz JXHQGMHHBOIHFG-IIDMSEBBSA-N 2 1 320.502 2.891 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000638419821 430336569 /nfs/dbraw/zinc/33/65/69/430336569.db2.gz JXHQGMHHBOIHFG-IIDMSEBBSA-N 2 1 320.502 2.891 20 0 DFADMP CC[N@H+]1CCC[C@@H](CNCc2cc(OC)c(O)cc2Cl)C1 ZINC000638450357 430346935 /nfs/dbraw/zinc/34/69/35/430346935.db2.gz NQIJRMXGJRIYGB-LBPRGKRZSA-N 2 1 312.841 2.876 20 0 DFADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638700677 430412797 /nfs/dbraw/zinc/41/27/97/430412797.db2.gz UJUUERKTMQXGAB-AYBZRNKSSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638700677 430412799 /nfs/dbraw/zinc/41/27/99/430412799.db2.gz UJUUERKTMQXGAB-AYBZRNKSSA-N 2 1 302.462 2.963 20 0 DFADMP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000546573576 430355143 /nfs/dbraw/zinc/35/51/43/430355143.db2.gz BWUCZRAAAVOKPX-APWZRJJASA-N 2 1 320.477 2.973 20 0 DFADMP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546573576 430355148 /nfs/dbraw/zinc/35/51/48/430355148.db2.gz BWUCZRAAAVOKPX-APWZRJJASA-N 2 1 320.477 2.973 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000635725991 430359866 /nfs/dbraw/zinc/35/98/66/430359866.db2.gz YMFMOZPKRZTSAO-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1cccc2c1cc[nH+]c2NCCC[NH2+]Cc1cccnc1 ZINC000583084514 430362433 /nfs/dbraw/zinc/36/24/33/430362433.db2.gz DFRYQDLFAPMVAW-UHFFFAOYSA-N 2 1 306.413 3.530 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638722454 430417153 /nfs/dbraw/zinc/41/71/53/430417153.db2.gz QXJSOWDSRDOCLS-WMZOPIPTSA-N 2 1 300.446 2.717 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638722454 430417158 /nfs/dbraw/zinc/41/71/58/430417158.db2.gz QXJSOWDSRDOCLS-WMZOPIPTSA-N 2 1 300.446 2.717 20 0 DFADMP C[NH+](C)CCCC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635754054 430367689 /nfs/dbraw/zinc/36/76/89/430367689.db2.gz UJJMIDRBAQNSOZ-UHFFFAOYSA-N 2 1 311.514 2.545 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CS[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000638534596 430369595 /nfs/dbraw/zinc/36/95/95/430369595.db2.gz XRFNJZNRKHREHW-QEJZJMRPSA-N 2 1 306.479 2.546 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CC3(F)F)C2)nc(C)[nH+]1 ZINC000638532978 430370397 /nfs/dbraw/zinc/37/03/97/430370397.db2.gz PPYYTLYUMSFQHS-FPMFFAJLSA-N 2 1 310.392 2.696 20 0 DFADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC000547271116 430382511 /nfs/dbraw/zinc/38/25/11/430382511.db2.gz DWTMKJJUOHOXAD-UZLBHIALSA-N 2 1 318.505 2.819 20 0 DFADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC000547271116 430382514 /nfs/dbraw/zinc/38/25/14/430382514.db2.gz DWTMKJJUOHOXAD-UZLBHIALSA-N 2 1 318.505 2.819 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638606981 430387120 /nfs/dbraw/zinc/38/71/20/430387120.db2.gz BOPMDSMHXCDHHS-BHIYHBOVSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638606981 430387121 /nfs/dbraw/zinc/38/71/21/430387121.db2.gz BOPMDSMHXCDHHS-BHIYHBOVSA-N 2 1 302.462 2.961 20 0 DFADMP Cn1c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc2ccccc21 ZINC000638617769 430389562 /nfs/dbraw/zinc/38/95/62/430389562.db2.gz BDYVMQUZHPUPDY-QGZVFWFLSA-N 2 1 315.461 2.505 20 0 DFADMP CO[C@@]1(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CCOC1 ZINC000638613628 430389854 /nfs/dbraw/zinc/38/98/54/430389854.db2.gz ZDPMMRSZPVKJIN-VQIMIIECSA-N 2 1 318.461 2.607 20 0 DFADMP CC[C@@H](C)[C@@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)OC ZINC000638724792 430417996 /nfs/dbraw/zinc/41/79/96/430417996.db2.gz BJLHMIIJEBQBSG-NVXWUHKLSA-N 2 1 300.487 2.527 20 0 DFADMP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000568856590 430399470 /nfs/dbraw/zinc/39/94/70/430399470.db2.gz ZCXMSDVBQMRJDJ-OWCLPIDISA-N 2 1 321.852 2.789 20 0 DFADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000635876933 430401135 /nfs/dbraw/zinc/40/11/35/430401135.db2.gz JGVDABCEYSYEQA-AWEZNQCLSA-N 2 1 310.401 2.527 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000583499705 430401509 /nfs/dbraw/zinc/40/15/09/430401509.db2.gz VJMNSJNMKOCVJJ-RTBURBONSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000583499705 430401513 /nfs/dbraw/zinc/40/15/13/430401513.db2.gz VJMNSJNMKOCVJJ-RTBURBONSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@H](O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638796840 430436752 /nfs/dbraw/zinc/43/67/52/430436752.db2.gz MSNOCJZTECTOEX-LPHOPBHVSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000583937179 430443180 /nfs/dbraw/zinc/44/31/80/430443180.db2.gz CENJTQFNFHLCCM-VQIMIIECSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548064502 430443166 /nfs/dbraw/zinc/44/31/66/430443166.db2.gz QIEROPQRSDJSQY-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064985 430443606 /nfs/dbraw/zinc/44/36/06/430443606.db2.gz HRNIRVFUHOAPPP-UHFFFAOYSA-N 2 1 323.525 2.975 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060657 430444500 /nfs/dbraw/zinc/44/45/00/430444500.db2.gz NVHVLDQFOJLYEP-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060657 430444505 /nfs/dbraw/zinc/44/45/05/430444505.db2.gz NVHVLDQFOJLYEP-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060657 430444507 /nfs/dbraw/zinc/44/45/07/430444507.db2.gz NVHVLDQFOJLYEP-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCC[C@H](C)C1 ZINC000548061031 430444695 /nfs/dbraw/zinc/44/46/95/430444695.db2.gz PFVSOGDKBFHUOX-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000548061031 430444698 /nfs/dbraw/zinc/44/46/98/430444698.db2.gz PFVSOGDKBFHUOX-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000548061031 430444700 /nfs/dbraw/zinc/44/47/00/430444700.db2.gz PFVSOGDKBFHUOX-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cc(-c3ccccc3)n[nH]1)C2 ZINC000548095933 430447304 /nfs/dbraw/zinc/44/73/04/430447304.db2.gz HKVXHMGSGANUIR-AWEZNQCLSA-N 2 1 307.401 2.625 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000641711991 430450774 /nfs/dbraw/zinc/45/07/74/430450774.db2.gz HLIHYTJTDLIHFP-UHFFFAOYSA-N 2 1 302.422 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2N)CC[N@@H+]1Cc1ccccc1 ZINC000641734093 430455802 /nfs/dbraw/zinc/45/58/02/430455802.db2.gz ZNRFEUMMJYHYGS-QAPCUYQASA-N 2 1 310.445 2.807 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccncc2N)CC[N@H+]1Cc1ccccc1 ZINC000641734093 430455805 /nfs/dbraw/zinc/45/58/05/430455805.db2.gz ZNRFEUMMJYHYGS-QAPCUYQASA-N 2 1 310.445 2.807 20 0 DFADMP CCn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(-c2ccccc2)n1 ZINC000641746410 430458431 /nfs/dbraw/zinc/45/84/31/430458431.db2.gz WXCMMDUUTWPXJW-UHFFFAOYSA-N 2 1 310.445 2.922 20 0 DFADMP CC[C@H](C)[C@@H](C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)OC ZINC000638874928 430463708 /nfs/dbraw/zinc/46/37/08/430463708.db2.gz ZEABKVFGVOYIDG-SUMWQHHRSA-N 2 1 320.481 2.713 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@@H]1[NH+](C)CCCC1(C)C)C1CCCCC1 ZINC000548394264 430468839 /nfs/dbraw/zinc/46/88/39/430468839.db2.gz OPMJDPSYLKIZGY-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638895207 430470189 /nfs/dbraw/zinc/47/01/89/430470189.db2.gz SQRNPBHEDIAZSU-YJBOKZPZSA-N 2 1 317.477 2.585 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000641801223 430476265 /nfs/dbraw/zinc/47/62/65/430476265.db2.gz NZTHTWQUSJTWPU-QZTJIDSGSA-N 2 1 311.429 2.876 20 0 DFADMP CC(C)(C)c1ccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641803146 430477078 /nfs/dbraw/zinc/47/70/78/430477078.db2.gz ALGWITQGHAWNHD-GJZGRUSLSA-N 2 1 303.450 2.638 20 0 DFADMP O=C(CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686684 430477117 /nfs/dbraw/zinc/47/71/17/430477117.db2.gz TXHOFEPYIRTBGC-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP Cc1cc(C)c(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641805531 430477707 /nfs/dbraw/zinc/47/77/07/430477707.db2.gz NKJDQAAZDATYAV-STQMWFEESA-N 2 1 309.841 2.611 20 0 DFADMP C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)[C@H]1CCC[NH2+]C1 ZINC000569684295 430477760 /nfs/dbraw/zinc/47/77/60/430477760.db2.gz QAPIRPOVZOYFFH-RYUDHWBXSA-N 2 1 306.841 2.704 20 0 DFADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)c(Cl)c2)C[C@@H]1[NH3+] ZINC000641803952 430478019 /nfs/dbraw/zinc/47/80/19/430478019.db2.gz GJOSIDKXRDXQGV-NWDGAFQWSA-N 2 1 316.232 2.647 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805358 430478504 /nfs/dbraw/zinc/47/85/04/430478504.db2.gz NDNYYCOLDNCWDS-KCPJHIHWSA-N 2 1 323.868 2.575 20 0 DFADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cccc(Cl)c2Cl)C[C@@H]1[NH3+] ZINC000641803673 430478694 /nfs/dbraw/zinc/47/86/94/430478694.db2.gz DIWMKGRMUKGYRW-WDEREUQCSA-N 2 1 316.232 2.647 20 0 DFADMP Cc1[nH+]cn(-c2ccc(NC(=O)C3(C[NH+](C)C)CC3)cc2)c1C ZINC000635950618 430419118 /nfs/dbraw/zinc/41/91/18/430419118.db2.gz LVSCVXIQXYVQCB-UHFFFAOYSA-N 2 1 312.417 2.769 20 0 DFADMP CC(C)n1cc([C@@H](C)[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cn1 ZINC000583807124 430431112 /nfs/dbraw/zinc/43/11/12/430431112.db2.gz URGPMMSFOWKGJT-CYBMUJFWSA-N 2 1 317.437 2.770 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[C@H]3CC[N@@H+](C)C3)ccc21 ZINC000635997361 430433359 /nfs/dbraw/zinc/43/33/59/430433359.db2.gz UTTCSUOACMCFIR-CXAGYDPISA-N 2 1 301.434 2.516 20 0 DFADMP CCC[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)OC ZINC000638970291 430484156 /nfs/dbraw/zinc/48/41/56/430484156.db2.gz KVOYMNHWOVITRK-RTBURBONSA-N 2 1 320.477 2.548 20 0 DFADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000638972103 430484755 /nfs/dbraw/zinc/48/47/55/430484755.db2.gz SMQHARIZTSKEQA-STQMWFEESA-N 2 1 309.479 2.894 20 0 DFADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000638972103 430484760 /nfs/dbraw/zinc/48/47/60/430484760.db2.gz SMQHARIZTSKEQA-STQMWFEESA-N 2 1 309.479 2.894 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1CC1(F)F ZINC000638972617 430485545 /nfs/dbraw/zinc/48/55/45/430485545.db2.gz VRMUZLRAEOHROX-RRQGHBQHSA-N 2 1 324.415 2.777 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC2(CCC[NH+]2C)CC1)C1CCCCC1 ZINC000548720428 430494674 /nfs/dbraw/zinc/49/46/74/430494674.db2.gz DQORSNABJBXSSB-UHFFFAOYSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+](CCC(=O)N1CCC2(CCC[N@@H+]2C)CC1)C1CCCCC1 ZINC000548720428 430494676 /nfs/dbraw/zinc/49/46/76/430494676.db2.gz DQORSNABJBXSSB-UHFFFAOYSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+](CCC(=O)N1CCC2(CCC[N@H+]2C)CC1)C1CCCCC1 ZINC000548720428 430494681 /nfs/dbraw/zinc/49/46/81/430494681.db2.gz DQORSNABJBXSSB-UHFFFAOYSA-N 2 1 321.509 2.728 20 0 DFADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636253717 430496126 /nfs/dbraw/zinc/49/61/26/430496126.db2.gz ONBSACBVHRDOCY-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636253717 430496129 /nfs/dbraw/zinc/49/61/29/430496129.db2.gz ONBSACBVHRDOCY-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636253717 430496134 /nfs/dbraw/zinc/49/61/34/430496134.db2.gz ONBSACBVHRDOCY-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccccn2)CC1 ZINC000548776843 430500834 /nfs/dbraw/zinc/50/08/34/430500834.db2.gz LIIMHZLSQYFXHI-LJQANCHMSA-N 2 1 316.493 2.635 20 0 DFADMP CCCN(C[C@@H](O)C[N@@H+](C)CC)[C@H](C)c1ccccc1OC ZINC000570408130 430540950 /nfs/dbraw/zinc/54/09/50/430540950.db2.gz WXOHHYLJAPKTEQ-CVEARBPZSA-N 2 1 308.466 2.781 20 0 DFADMP CCC[N@H+](C[C@@H](O)CN(C)CC)[C@H](C)c1ccccc1OC ZINC000570408130 430540954 /nfs/dbraw/zinc/54/09/54/430540954.db2.gz WXOHHYLJAPKTEQ-CVEARBPZSA-N 2 1 308.466 2.781 20 0 DFADMP CCC[N@@H+](C[C@@H](O)CN(C)CC)[C@H](C)c1ccccc1OC ZINC000570408130 430540956 /nfs/dbraw/zinc/54/09/56/430540956.db2.gz WXOHHYLJAPKTEQ-CVEARBPZSA-N 2 1 308.466 2.781 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccc(=O)[nH]c3)C1)CCCC2 ZINC000639076201 430512426 /nfs/dbraw/zinc/51/24/26/430512426.db2.gz OCXRTPQVVQWYBU-HNNXBMFYSA-N 2 1 312.417 2.618 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccc(=O)[nH]c3)C1)CCCC2 ZINC000639076201 430512428 /nfs/dbraw/zinc/51/24/28/430512428.db2.gz OCXRTPQVVQWYBU-HNNXBMFYSA-N 2 1 312.417 2.618 20 0 DFADMP Cn1cncc1CCC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000570104543 430512888 /nfs/dbraw/zinc/51/28/88/430512888.db2.gz LJQOKVLOONCMGF-MRXNPFEDSA-N 2 1 307.825 2.672 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000570104543 430512895 /nfs/dbraw/zinc/51/28/95/430512895.db2.gz LJQOKVLOONCMGF-MRXNPFEDSA-N 2 1 307.825 2.672 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000570104543 430512900 /nfs/dbraw/zinc/51/29/00/430512900.db2.gz LJQOKVLOONCMGF-MRXNPFEDSA-N 2 1 307.825 2.672 20 0 DFADMP CCC[C@H](C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080641 430513615 /nfs/dbraw/zinc/51/36/15/430513615.db2.gz MMXABZYDRATYSP-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080641 430513618 /nfs/dbraw/zinc/51/36/18/430513618.db2.gz MMXABZYDRATYSP-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080641 430513623 /nfs/dbraw/zinc/51/36/23/430513623.db2.gz MMXABZYDRATYSP-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639080641 430513626 /nfs/dbraw/zinc/51/36/26/430513626.db2.gz MMXABZYDRATYSP-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639080641 430513629 /nfs/dbraw/zinc/51/36/29/430513629.db2.gz MMXABZYDRATYSP-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080341 430514848 /nfs/dbraw/zinc/51/48/48/430514848.db2.gz LGJLKGHOBFJTGJ-QXAKKESOSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080341 430514852 /nfs/dbraw/zinc/51/48/52/430514852.db2.gz LGJLKGHOBFJTGJ-QXAKKESOSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080341 430514855 /nfs/dbraw/zinc/51/48/55/430514855.db2.gz LGJLKGHOBFJTGJ-QXAKKESOSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639080341 430514856 /nfs/dbraw/zinc/51/48/56/430514856.db2.gz LGJLKGHOBFJTGJ-QXAKKESOSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639080341 430514860 /nfs/dbraw/zinc/51/48/60/430514860.db2.gz LGJLKGHOBFJTGJ-QXAKKESOSA-N 2 1 319.493 2.896 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2CCSCC2)C1 ZINC000639082402 430517707 /nfs/dbraw/zinc/51/77/07/430517707.db2.gz ZWOQLAFYUZDGPZ-GOSISDBHSA-N 2 1 319.518 2.979 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2CCSCC2)C1 ZINC000639082402 430517710 /nfs/dbraw/zinc/51/77/10/430517710.db2.gz ZWOQLAFYUZDGPZ-GOSISDBHSA-N 2 1 319.518 2.979 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000639082402 430517714 /nfs/dbraw/zinc/51/77/14/430517714.db2.gz ZWOQLAFYUZDGPZ-GOSISDBHSA-N 2 1 319.518 2.979 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000639082402 430517717 /nfs/dbraw/zinc/51/77/17/430517717.db2.gz ZWOQLAFYUZDGPZ-GOSISDBHSA-N 2 1 319.518 2.979 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639131973 430537809 /nfs/dbraw/zinc/53/78/09/430537809.db2.gz CINOTZTVOGPDIM-SFHVURJKSA-N 2 1 301.478 2.931 20 0 DFADMP COc1ccc(COCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000643064218 430547741 /nfs/dbraw/zinc/54/77/41/430547741.db2.gz XLPGSNNYAFOHBL-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000570525234 430551260 /nfs/dbraw/zinc/55/12/60/430551260.db2.gz GIMDWNFKQGWLER-HNNXBMFYSA-N 2 1 318.383 2.754 20 0 DFADMP Cc1nc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)sc1Br ZINC000570529190 430552268 /nfs/dbraw/zinc/55/22/68/430552268.db2.gz LRRPKKBMJJJLFB-IUCAKERBSA-N 2 1 304.257 2.574 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](CN[C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000639170515 430552424 /nfs/dbraw/zinc/55/24/24/430552424.db2.gz UDOQKZBLKXGZLY-HOCLYGCPSA-N 2 1 305.470 2.746 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CN[C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000639170515 430552429 /nfs/dbraw/zinc/55/24/29/430552429.db2.gz UDOQKZBLKXGZLY-HOCLYGCPSA-N 2 1 305.470 2.746 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)[C@@H]1CCc2cc(OC)c(OC)cc21 ZINC000639176322 430556279 /nfs/dbraw/zinc/55/62/79/430556279.db2.gz UTTVXNDSKGFOQG-MRXNPFEDSA-N 2 1 306.450 2.965 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccnn3CC3CCC3)C2)CC1 ZINC000639176798 430556431 /nfs/dbraw/zinc/55/64/31/430556431.db2.gz LAEHOYABIMKXPO-GOSISDBHSA-N 2 1 316.493 2.847 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180430 430557523 /nfs/dbraw/zinc/55/75/23/430557523.db2.gz WSLIXCGGBLIAAO-AOIWGVFYSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180430 430557529 /nfs/dbraw/zinc/55/75/29/430557529.db2.gz WSLIXCGGBLIAAO-AOIWGVFYSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180430 430557533 /nfs/dbraw/zinc/55/75/33/430557533.db2.gz WSLIXCGGBLIAAO-AOIWGVFYSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180430 430557535 /nfs/dbraw/zinc/55/75/35/430557535.db2.gz WSLIXCGGBLIAAO-AOIWGVFYSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180430 430557538 /nfs/dbraw/zinc/55/75/38/430557538.db2.gz WSLIXCGGBLIAAO-AOIWGVFYSA-N 2 1 301.478 2.785 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000643255261 430567359 /nfs/dbraw/zinc/56/73/59/430567359.db2.gz QLNNPVIWNDNYSK-QGZVFWFLSA-N 2 1 316.493 2.635 20 0 DFADMP CCO[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643250626 430568070 /nfs/dbraw/zinc/56/80/70/430568070.db2.gz PXZIEWYBSXSYMQ-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643250626 430568073 /nfs/dbraw/zinc/56/80/73/430568073.db2.gz PXZIEWYBSXSYMQ-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639218221 430576353 /nfs/dbraw/zinc/57/63/53/430576353.db2.gz LQMBIBHICISRAY-ZACQAIPSSA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639218218 430576444 /nfs/dbraw/zinc/57/64/44/430576444.db2.gz LQMBIBHICISRAY-BBWFWOEESA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)C[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000643321424 430581708 /nfs/dbraw/zinc/58/17/08/430581708.db2.gz IIGYTZUWJCYOBE-UHFFFAOYSA-N 2 1 304.482 2.509 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000552044964 430581772 /nfs/dbraw/zinc/58/17/72/430581772.db2.gz TTWVFGNAPLNTMT-HOCLYGCPSA-N 2 1 320.477 2.875 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000552039266 430581956 /nfs/dbraw/zinc/58/19/56/430581956.db2.gz YQWJAQMGWOJDOG-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000552062657 430582578 /nfs/dbraw/zinc/58/25/78/430582578.db2.gz CGDHHUSETGNKCB-HCXYKTFWSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000552062657 430582582 /nfs/dbraw/zinc/58/25/82/430582582.db2.gz CGDHHUSETGNKCB-HCXYKTFWSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000552062657 430582585 /nfs/dbraw/zinc/58/25/85/430582585.db2.gz CGDHHUSETGNKCB-HCXYKTFWSA-N 2 1 307.526 2.959 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CCO2 ZINC000552065203 430583693 /nfs/dbraw/zinc/58/36/93/430583693.db2.gz JTEUCXXDNVCZRE-BGTYHANMSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)([NH+](C)C)C1 ZINC000552223293 430590747 /nfs/dbraw/zinc/59/07/47/430590747.db2.gz MMNAGPYQIJMRFD-NNIGNNQHSA-N 2 1 307.526 2.959 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1)C(C)C ZINC000570938326 430591169 /nfs/dbraw/zinc/59/11/69/430591169.db2.gz VPGNHBUCYCDXBD-QAPCUYQASA-N 2 1 317.477 2.869 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000571042375 430599318 /nfs/dbraw/zinc/59/93/18/430599318.db2.gz BGSVRPOCSBYGQH-BHSKVQTESA-N 2 1 315.461 2.910 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000571042375 430599321 /nfs/dbraw/zinc/59/93/21/430599321.db2.gz BGSVRPOCSBYGQH-BHSKVQTESA-N 2 1 315.461 2.910 20 0 DFADMP FC(F)CN1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000643460066 430603892 /nfs/dbraw/zinc/60/38/92/430603892.db2.gz SJYICAVSVLHCQY-DLBZAZTESA-N 2 1 323.431 2.799 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CC[C@@H]4C[C@@H]4C3)cc2)C1 ZINC000639307752 430604479 /nfs/dbraw/zinc/60/44/79/430604479.db2.gz GYADUEQSMVUVKS-YSTOQKLRSA-N 2 1 314.473 2.779 20 0 DFADMP OCc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000643478191 430607666 /nfs/dbraw/zinc/60/76/66/430607666.db2.gz BJKQMBQZPQISHS-PMACEKPBSA-N 2 1 310.441 2.804 20 0 DFADMP O=C1Nc2ccccc2C12CCC([NH2+]C[C@H]1CCCC[NH2+]1)CC2 ZINC000643501633 430609636 /nfs/dbraw/zinc/60/96/36/430609636.db2.gz MUKLGWPDVZHJGL-XAUUPUKJSA-N 2 1 313.445 2.551 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000553177852 430610952 /nfs/dbraw/zinc/61/09/52/430610952.db2.gz SODROYCBFTWMAN-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000643522970 430612825 /nfs/dbraw/zinc/61/28/25/430612825.db2.gz RBOSNZDEGOCNQD-HKUYNNGSSA-N 3 1 315.505 2.814 20 0 DFADMP C[N@H+]1CCCC[C@@H](CNCc2ccccc2OCCCCO)C1 ZINC000639346575 430617557 /nfs/dbraw/zinc/61/75/57/430617557.db2.gz GPIZWJBYFMVAPU-KRWDZBQOSA-N 2 1 320.477 2.659 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639346575 430617559 /nfs/dbraw/zinc/61/75/59/430617559.db2.gz GPIZWJBYFMVAPU-KRWDZBQOSA-N 2 1 320.477 2.659 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639346575 430617560 /nfs/dbraw/zinc/61/75/60/430617560.db2.gz GPIZWJBYFMVAPU-KRWDZBQOSA-N 2 1 320.477 2.659 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639345908 430617605 /nfs/dbraw/zinc/61/76/05/430617605.db2.gz CLJPEEFZJXYGJD-QZTJIDSGSA-N 2 1 301.478 2.834 20 0 DFADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000553777262 430622598 /nfs/dbraw/zinc/62/25/98/430622598.db2.gz YVZJCJPJYYDQBO-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000554095008 430628318 /nfs/dbraw/zinc/62/83/18/430628318.db2.gz ASSJIYBFUPLCMD-VNTMZGSJSA-N 2 1 316.489 2.751 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000571461817 430629232 /nfs/dbraw/zinc/62/92/32/430629232.db2.gz JBZMWLCWRFFLLQ-JKSUJKDBSA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000554096972 430629744 /nfs/dbraw/zinc/62/97/44/430629744.db2.gz SXQKNAXRBNLPNY-YTQUADARSA-N 2 1 304.478 2.751 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000571620749 430641172 /nfs/dbraw/zinc/64/11/72/430641172.db2.gz OMNLBMZENCKAJN-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000571620749 430641174 /nfs/dbraw/zinc/64/11/74/430641174.db2.gz OMNLBMZENCKAJN-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000571620749 430641176 /nfs/dbraw/zinc/64/11/76/430641176.db2.gz OMNLBMZENCKAJN-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H]2CCc3ncnn32)cc1 ZINC000639567527 430673115 /nfs/dbraw/zinc/67/31/15/430673115.db2.gz SDDKLQKCQHGIMB-GUYCJALGSA-N 2 1 322.416 2.610 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639589032 430677636 /nfs/dbraw/zinc/67/76/36/430677636.db2.gz IKYWQAYSAAJNFV-CRAIPNDOSA-N 2 1 311.429 2.787 20 0 DFADMP Fc1ccc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c(F)c1 ZINC000556089396 430678430 /nfs/dbraw/zinc/67/84/30/430678430.db2.gz VRQFCWJKTBSLNF-INIZCTEOSA-N 2 1 310.388 2.652 20 0 DFADMP Fc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)c(F)c1 ZINC000556089396 430678432 /nfs/dbraw/zinc/67/84/32/430678432.db2.gz VRQFCWJKTBSLNF-INIZCTEOSA-N 2 1 310.388 2.652 20 0 DFADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCCc1cncn1C ZINC000572254754 430678638 /nfs/dbraw/zinc/67/86/38/430678638.db2.gz YHORUXZWEKYKMR-GOSISDBHSA-N 2 1 301.434 2.542 20 0 DFADMP COC[C@@H](Cc1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000572254754 430678641 /nfs/dbraw/zinc/67/86/41/430678641.db2.gz YHORUXZWEKYKMR-GOSISDBHSA-N 2 1 301.434 2.542 20 0 DFADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000572254754 430678643 /nfs/dbraw/zinc/67/86/43/430678643.db2.gz YHORUXZWEKYKMR-GOSISDBHSA-N 2 1 301.434 2.542 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)Nc1ccccc1 ZINC000572512354 430688862 /nfs/dbraw/zinc/68/88/62/430688862.db2.gz PZRUCMQRCKMNSM-QGZVFWFLSA-N 2 1 303.450 2.725 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)C1CC1 ZINC000572632429 430692905 /nfs/dbraw/zinc/69/29/05/430692905.db2.gz DVCMNJPVHDNFOW-QGPMSJSTSA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2cccc(F)c2)C1)C1CC1 ZINC000572632429 430692907 /nfs/dbraw/zinc/69/29/07/430692907.db2.gz DVCMNJPVHDNFOW-QGPMSJSTSA-N 2 1 306.425 2.507 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)CC[NH2+]1 ZINC000556942908 430696600 /nfs/dbraw/zinc/69/66/00/430696600.db2.gz RXCFILWZFGGWQN-PBFPGSCMSA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)CC[NH2+]1 ZINC000556942908 430696602 /nfs/dbraw/zinc/69/66/02/430696602.db2.gz RXCFILWZFGGWQN-PBFPGSCMSA-N 2 1 310.388 2.726 20 0 DFADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000185445036 278315125 /nfs/dbraw/zinc/31/51/25/278315125.db2.gz IPNLSFOGODASTI-NVXWUHKLSA-N 2 1 307.507 2.911 20 0 DFADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000185445036 278315127 /nfs/dbraw/zinc/31/51/27/278315127.db2.gz IPNLSFOGODASTI-NVXWUHKLSA-N 2 1 307.507 2.911 20 0 DFADMP Cc1ccc2ccnc(N3CCC([N@H+]4CC[C@H](O)C4)CC3)c2c1 ZINC000664598497 430702302 /nfs/dbraw/zinc/70/23/02/430702302.db2.gz VJTOXWNCRSHYMN-KRWDZBQOSA-N 2 1 311.429 2.579 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000657710591 430717501 /nfs/dbraw/zinc/71/75/01/430717501.db2.gz WZFPAKASOZSPPV-NXWXRZEISA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000657710591 430717508 /nfs/dbraw/zinc/71/75/08/430717508.db2.gz WZFPAKASOZSPPV-NXWXRZEISA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H](c1cnccn1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278804398 278426075 /nfs/dbraw/zinc/42/60/75/278426075.db2.gz GBJOOTMCIUXHQA-AWEZNQCLSA-N 2 1 311.433 2.950 20 0 DFADMP Fc1ccc2oc(CNC3CC[NH+]([C@@H]4CCOC4)CC3)cc2c1 ZINC000657750989 430725044 /nfs/dbraw/zinc/72/50/44/430725044.db2.gz MJGDBUYBVHIWFP-MRXNPFEDSA-N 2 1 318.392 2.915 20 0 DFADMP c1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc(C2CC2)c1 ZINC000657752823 430725288 /nfs/dbraw/zinc/72/52/88/430725288.db2.gz SDBJUNPEZQNSKI-LJQANCHMSA-N 2 1 300.446 2.907 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651210929 430737229 /nfs/dbraw/zinc/73/72/29/430737229.db2.gz ADTDTWGWXDDDHF-HKUYNNGSSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644513025 430739833 /nfs/dbraw/zinc/73/98/33/430739833.db2.gz APLACGBUDOJJIC-FUHWJXTLSA-N 2 1 316.445 2.683 20 0 DFADMP C[C@@H](CCc1ccco1)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644513025 430739838 /nfs/dbraw/zinc/73/98/38/430739838.db2.gz APLACGBUDOJJIC-FUHWJXTLSA-N 2 1 316.445 2.683 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000661507688 430741380 /nfs/dbraw/zinc/74/13/80/430741380.db2.gz ATAVPFMLWFQZSW-LJQANCHMSA-N 2 1 319.468 2.989 20 0 DFADMP FCC1(CF)CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000657822727 430745995 /nfs/dbraw/zinc/74/59/95/430745995.db2.gz ACALCNOSYPKBIZ-UHFFFAOYSA-N 2 1 324.415 2.696 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000644560713 430752846 /nfs/dbraw/zinc/75/28/46/430752846.db2.gz DLPMMXRYAOEPJF-PMACEKPBSA-N 2 1 324.468 2.799 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000644560713 430752850 /nfs/dbraw/zinc/75/28/50/430752850.db2.gz DLPMMXRYAOEPJF-PMACEKPBSA-N 2 1 324.468 2.799 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000657875471 430759365 /nfs/dbraw/zinc/75/93/65/430759365.db2.gz KQBSNWRZXHQLCX-GJYPPUQNSA-N 2 1 306.494 2.889 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC(C)(c2ccccc2)CC1)C1CC1 ZINC000644601972 430766813 /nfs/dbraw/zinc/76/68/13/430766813.db2.gz FOBCLPMYYJWAAZ-SYYJFZTOSA-N 2 1 316.489 2.932 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC(C)(c2ccccc2)CC1)C1CC1 ZINC000644601972 430766819 /nfs/dbraw/zinc/76/68/19/430766819.db2.gz FOBCLPMYYJWAAZ-SYYJFZTOSA-N 2 1 316.489 2.932 20 0 DFADMP CC(C)[C@@H]1[N@@H+](C[C@H](O)CN(C)Cc2ccccc2)CC12CCC2 ZINC000644608574 430767638 /nfs/dbraw/zinc/76/76/38/430767638.db2.gz OVETXTDTZGKMCT-MOPGFXCFSA-N 2 1 316.489 2.990 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC12CCC(CC1)C2 ZINC000644609679 430769569 /nfs/dbraw/zinc/76/95/69/430769569.db2.gz JRTIGFUDJOJCRT-CUYAVPTFSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC12CCC(CC1)C2 ZINC000644609679 430769573 /nfs/dbraw/zinc/76/95/73/430769573.db2.gz JRTIGFUDJOJCRT-CUYAVPTFSA-N 2 1 302.462 2.649 20 0 DFADMP COC1([C@H](C)[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCC1 ZINC000657944072 430772459 /nfs/dbraw/zinc/77/24/59/430772459.db2.gz YELCFBHISHUDQD-GOEBONIOSA-N 2 1 318.465 2.609 20 0 DFADMP CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625271 430772997 /nfs/dbraw/zinc/77/29/97/430772997.db2.gz ISVPXOWAANEVGR-HUUCEWRRSA-N 2 1 318.383 2.800 20 0 DFADMP CC[C@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625271 430772999 /nfs/dbraw/zinc/77/29/99/430772999.db2.gz ISVPXOWAANEVGR-HUUCEWRRSA-N 2 1 318.383 2.800 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1COCCO1 ZINC000661615336 430774933 /nfs/dbraw/zinc/77/49/33/430774933.db2.gz ZXOZDCKWNOGZAD-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000648406081 430775153 /nfs/dbraw/zinc/77/51/53/430775153.db2.gz PEXCVUNQVOARIS-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP CC(C)C[C@@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658178984 430836918 /nfs/dbraw/zinc/83/69/18/430836918.db2.gz BZGCVAFMKFDBLW-WDSOQIARSA-N 2 1 304.478 2.894 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cnccc2C)[C@@H](C)C1 ZINC000658126453 430818794 /nfs/dbraw/zinc/81/87/94/430818794.db2.gz MGMQKKLNQPEOIF-HKUYNNGSSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1nccs1 ZINC000658141440 430823547 /nfs/dbraw/zinc/82/35/47/430823547.db2.gz XCXJFVPADGEHLN-XJKSGUPXSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nccs1 ZINC000658141440 430823549 /nfs/dbraw/zinc/82/35/49/430823549.db2.gz XCXJFVPADGEHLN-XJKSGUPXSA-N 2 1 317.458 2.561 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)C1 ZINC000658139299 430823782 /nfs/dbraw/zinc/82/37/82/430823782.db2.gz QNARDTOKSQPNMJ-MSOLQXFVSA-N 2 1 300.446 2.676 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139848 430824328 /nfs/dbraw/zinc/82/43/28/430824328.db2.gz TTWZTYNXAZIKJQ-WOJBJXKFSA-N 2 1 314.473 2.922 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCO1 ZINC000648446152 430790568 /nfs/dbraw/zinc/79/05/68/430790568.db2.gz FIXNHYAYBAEYID-YESZJQIVSA-N 2 1 318.465 2.609 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2COC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000658041625 430792194 /nfs/dbraw/zinc/79/21/94/430792194.db2.gz DUPCZJBYNHDYDL-KURKYZTESA-N 2 1 300.446 2.633 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H]2CCCc3ccccc3C2)CCOCC1 ZINC000648455662 430793223 /nfs/dbraw/zinc/79/32/23/430793223.db2.gz KFTNBEPJMRKASY-SFHVURJKSA-N 2 1 302.462 2.634 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@@H]2CCC[C@H]21 ZINC000651467930 430802588 /nfs/dbraw/zinc/80/25/88/430802588.db2.gz NFSXALQIQNOEOJ-QXRZNBQRSA-N 2 1 302.409 2.999 20 0 DFADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc2ccccc2s1 ZINC000665292670 430888991 /nfs/dbraw/zinc/88/89/91/430888991.db2.gz HCLWKKVFXZYWEQ-JTQLQIEISA-N 2 1 314.414 2.706 20 0 DFADMP COC[C@@H](CC(C)(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705470 430853963 /nfs/dbraw/zinc/85/39/63/430853963.db2.gz UJNOIECRNOMMPR-MRXNPFEDSA-N 2 1 312.498 2.672 20 0 DFADMP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000651710958 430856919 /nfs/dbraw/zinc/85/69/19/430856919.db2.gz VGYNGABHVIRMSX-IRXDYDNUSA-N 2 1 312.498 2.671 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000665237779 430863935 /nfs/dbraw/zinc/86/39/35/430863935.db2.gz JTXXYLRYKONWML-GFCCVEGCSA-N 2 1 315.417 2.717 20 0 DFADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240632 430867013 /nfs/dbraw/zinc/86/70/13/430867013.db2.gz PMNUWMQYJVLLJB-MOPGFXCFSA-N 2 1 316.493 2.543 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665249766 430868417 /nfs/dbraw/zinc/86/84/17/430868417.db2.gz YTQCTAMTHCNITR-HNNXBMFYSA-N 3 1 305.466 2.549 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCO[C@@H](C)C2)cc1 ZINC000665255008 430870588 /nfs/dbraw/zinc/87/05/88/430870588.db2.gz GIEDJYKIKDVNJP-CBVHJVASSA-N 2 1 318.461 2.688 20 0 DFADMP COCC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CC1 ZINC000665251885 430871224 /nfs/dbraw/zinc/87/12/24/430871224.db2.gz ATKPVJSCQMZOQT-JDGDGYACSA-N 2 1 302.462 2.927 20 0 DFADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CCCCC1 ZINC000658307564 430872106 /nfs/dbraw/zinc/87/21/06/430872106.db2.gz LLSHMSCKATWIJA-BBWFWOEESA-N 2 1 321.509 2.535 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648777115 430889486 /nfs/dbraw/zinc/88/94/86/430889486.db2.gz KOTXYQNIJJTIHE-OAHLLOKOSA-N 2 1 320.481 2.777 20 0 DFADMP Cc1ccc2oc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000665262255 430873987 /nfs/dbraw/zinc/87/39/87/430873987.db2.gz XDAUMULKJLJGLB-FGTMMUONSA-N 2 1 314.429 2.988 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000665280302 430880583 /nfs/dbraw/zinc/88/05/83/430880583.db2.gz YBWNOAHXVCRPCE-UHFFFAOYSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC24CC(C2)C[NH2+]4)C3)cc1 ZINC000665278343 430881581 /nfs/dbraw/zinc/88/15/81/430881581.db2.gz BPOOERVBMTUCAL-JHNJKDCUSA-N 2 1 311.473 2.524 20 0 DFADMP CCC[NH+]1CCC(CNC(=O)C[C@@H](C)n2cc[nH+]c2CC)CC1 ZINC000648757833 430881897 /nfs/dbraw/zinc/88/18/97/430881897.db2.gz NESBPECKNJZKCY-OAHLLOKOSA-N 2 1 320.481 2.635 20 0 DFADMP CCSc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665291374 430885500 /nfs/dbraw/zinc/88/55/00/430885500.db2.gz ABLVMLYECIMUOX-LLVKDONJSA-N 2 1 318.446 2.604 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@@H](C)C1 ZINC000658205993 430841157 /nfs/dbraw/zinc/84/11/57/430841157.db2.gz GFJBAORYEQCZDP-WNHJNPCNSA-N 2 1 302.462 2.879 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC(F)(F)F ZINC000665301159 430891991 /nfs/dbraw/zinc/89/19/91/430891991.db2.gz PNRXVECQQZXSEF-JHJVBQTASA-N 2 1 308.388 2.712 20 0 DFADMP CC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1nnc2n1CCCCC2 ZINC000661938983 430893983 /nfs/dbraw/zinc/89/39/83/430893983.db2.gz GTIXINJFRDTLOV-OAHLLOKOSA-N 2 1 316.453 2.640 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000651865881 430899709 /nfs/dbraw/zinc/89/97/09/430899709.db2.gz LFFXWPAOMPRDLD-QGZVFWFLSA-N 2 1 319.493 2.996 20 0 DFADMP Cc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000645171919 430923541 /nfs/dbraw/zinc/92/35/41/430923541.db2.gz PCCNTOCZKNXTNQ-NZSAHSFTSA-N 2 1 311.429 2.983 20 0 DFADMP Cc1nocc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000645171919 430923546 /nfs/dbraw/zinc/92/35/46/430923546.db2.gz PCCNTOCZKNXTNQ-NZSAHSFTSA-N 2 1 311.429 2.983 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645180653 430926757 /nfs/dbraw/zinc/92/67/57/430926757.db2.gz WLVXEBGESFAESV-CQSZACIVSA-N 2 1 301.438 2.743 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H](C)C1 ZINC000651966326 430928756 /nfs/dbraw/zinc/92/87/56/430928756.db2.gz DMRMPWOWBMJOSC-BGTYHANMSA-N 2 1 303.450 2.622 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652020150 430938482 /nfs/dbraw/zinc/93/84/82/430938482.db2.gz MJNZOLLHVRDHGX-YDZRNGNQSA-N 2 1 320.452 2.597 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN([C@@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000662154553 430979319 /nfs/dbraw/zinc/97/93/19/430979319.db2.gz XTJMIXYIIOMDKU-PKOBYXMFSA-N 2 1 318.436 2.734 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN(Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000662152375 430981712 /nfs/dbraw/zinc/98/17/12/430981712.db2.gz SSNLUQRPNCQLPZ-FQEVSTJZSA-N 2 1 314.473 2.985 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662148481 430981902 /nfs/dbraw/zinc/98/19/02/430981902.db2.gz KTBOQLLUQYSTQY-QRWLVFNGSA-N 2 1 314.473 2.767 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662148481 430981907 /nfs/dbraw/zinc/98/19/07/430981907.db2.gz KTBOQLLUQYSTQY-QRWLVFNGSA-N 2 1 314.473 2.767 20 0 DFADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000662158785 430982633 /nfs/dbraw/zinc/98/26/33/430982633.db2.gz UKRMWGWQEPNTQZ-FQEVSTJZSA-N 2 1 310.441 2.871 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000662158785 430982640 /nfs/dbraw/zinc/98/26/40/430982640.db2.gz UKRMWGWQEPNTQZ-FQEVSTJZSA-N 2 1 310.441 2.871 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244450 431012227 /nfs/dbraw/zinc/01/22/27/431012227.db2.gz GXDDKYJCPVOBKY-WCQYABFASA-N 2 1 312.360 2.610 20 0 DFADMP CC[C@@H](c1ccccc1)[N@@H+](CC(=O)N1CCN(C)CC1)C(C)C ZINC000662107851 430963749 /nfs/dbraw/zinc/96/37/49/430963749.db2.gz ILMQYSABZLOPAK-SFHVURJKSA-N 2 1 317.477 2.622 20 0 DFADMP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](C)C1 ZINC000648997152 430964737 /nfs/dbraw/zinc/96/47/37/430964737.db2.gz KATUJCPKDPLDJU-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP CCCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](C)C1 ZINC000648997152 430964741 /nfs/dbraw/zinc/96/47/41/430964741.db2.gz KATUJCPKDPLDJU-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](C)C1 ZINC000648997152 430964743 /nfs/dbraw/zinc/96/47/43/430964743.db2.gz KATUJCPKDPLDJU-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP C[N@@H+](CCC(=O)N[C@H]1CCC[NH+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655349946 430970549 /nfs/dbraw/zinc/97/05/49/430970549.db2.gz MTXPIBLGKOWGLB-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655349946 430970554 /nfs/dbraw/zinc/97/05/54/430970554.db2.gz MTXPIBLGKOWGLB-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655349946 430970560 /nfs/dbraw/zinc/97/05/60/430970560.db2.gz MTXPIBLGKOWGLB-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000652335735 431022711 /nfs/dbraw/zinc/02/27/11/431022711.db2.gz CTEHWRNQWWCZNP-LJQANCHMSA-N 2 1 311.429 2.878 20 0 DFADMP COc1ccc(-c2cc(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)on2)cc1 ZINC000662265469 431022758 /nfs/dbraw/zinc/02/27/58/431022758.db2.gz BQIVCBLBYRLAKV-OAHLLOKOSA-N 2 1 315.417 2.924 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)on2)cc1 ZINC000662265469 431022764 /nfs/dbraw/zinc/02/27/64/431022764.db2.gz BQIVCBLBYRLAKV-OAHLLOKOSA-N 2 1 315.417 2.924 20 0 DFADMP Cn1ccnc1C[N@@H+](CCC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000662270014 431024189 /nfs/dbraw/zinc/02/41/89/431024189.db2.gz KTMTYHWHWMDDCH-INIZCTEOSA-N 2 1 302.466 2.554 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCCC3(CCOCC3)C1)C[NH2+]CC2 ZINC000652338233 431025241 /nfs/dbraw/zinc/02/52/41/431025241.db2.gz NJIZKIUPNHNZSQ-UHFFFAOYSA-N 2 1 300.446 2.725 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339343 431025372 /nfs/dbraw/zinc/02/53/72/431025372.db2.gz OODNPSYZMMEERO-LJQANCHMSA-N 2 1 310.445 2.674 20 0 DFADMP CCc1ccccc1NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352583 431028116 /nfs/dbraw/zinc/02/81/16/431028116.db2.gz BNXOPWQOOVBCQG-ALKREAHSSA-N 2 1 315.461 2.637 20 0 DFADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352583 431028121 /nfs/dbraw/zinc/02/81/21/431028121.db2.gz BNXOPWQOOVBCQG-ALKREAHSSA-N 2 1 315.461 2.637 20 0 DFADMP CC[N@@H+](CCCNC(=O)C1([NH3+])CC2(CCC2)C1)C1CCCCC1 ZINC000659327584 431028329 /nfs/dbraw/zinc/02/83/29/431028329.db2.gz PZNLHSBMLNYGFV-UHFFFAOYSA-N 2 1 321.509 2.809 20 0 DFADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278280 431029518 /nfs/dbraw/zinc/02/95/18/431029518.db2.gz DPJVIZXFDMVZFC-TZMCWYRMSA-N 2 1 321.490 2.536 20 0 DFADMP c1ccc(C[C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662277143 431030644 /nfs/dbraw/zinc/03/06/44/431030644.db2.gz OOTRCLWNWWSSID-FQEVSTJZSA-N 2 1 322.452 2.776 20 0 DFADMP CN(c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1)C1CC1 ZINC000662275154 431031208 /nfs/dbraw/zinc/03/12/08/431031208.db2.gz SYULGAXLJWGJLY-INIZCTEOSA-N 2 1 320.506 2.706 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCc2ccccc2)C1 ZINC000652360805 431032626 /nfs/dbraw/zinc/03/26/26/431032626.db2.gz QRZFRFYTZUXXRZ-QRVBRYPASA-N 2 1 302.462 2.980 20 0 DFADMP CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000662280080 431033497 /nfs/dbraw/zinc/03/34/97/431033497.db2.gz CFQJDJBJRFNDQL-HOCLYGCPSA-N 2 1 305.470 2.590 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000662285161 431034991 /nfs/dbraw/zinc/03/49/91/431034991.db2.gz YJEPTXIURBCANW-NCXUSEDFSA-N 2 1 318.461 2.735 20 0 DFADMP CCCCc1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295957 431038959 /nfs/dbraw/zinc/03/89/59/431038959.db2.gz JGLQIHCWYKWKJZ-HNNXBMFYSA-N 2 1 306.454 2.624 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313002 431041850 /nfs/dbraw/zinc/04/18/50/431041850.db2.gz DYIVRDGWQSPMJI-QBPKDAKJSA-N 2 1 309.498 2.615 20 0 DFADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662310238 431042605 /nfs/dbraw/zinc/04/26/05/431042605.db2.gz IMWHYWHOXSWXFL-RHSMWYFYSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CCC[NH3+] ZINC000662313280 431043389 /nfs/dbraw/zinc/04/33/89/431043389.db2.gz JNAAHGIPUUPUDS-RHSMWYFYSA-N 2 1 321.440 2.994 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccco3)no2)[C@@H]1CCC[NH3+] ZINC000662313232 431044292 /nfs/dbraw/zinc/04/42/92/431044292.db2.gz HKIBAIWJOLXKRE-CHWSQXEVSA-N 2 1 304.394 2.669 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313338 431044784 /nfs/dbraw/zinc/04/47/84/431044784.db2.gz KMJLDNFBCUDSIG-IXDOHACOSA-N 2 1 309.498 2.617 20 0 DFADMP CN(CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662325303 431045724 /nfs/dbraw/zinc/04/57/24/431045724.db2.gz DPXLUPJVSBUGBG-IBGZPJMESA-N 2 1 319.493 2.556 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000662324857 431045853 /nfs/dbraw/zinc/04/58/53/431045853.db2.gz ZIGLXGSDYJAWQA-OTWHNJEPSA-N 2 1 302.462 2.833 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)CC[C@@H]1CCC[NH2+]C1 ZINC000662324425 431046715 /nfs/dbraw/zinc/04/67/15/431046715.db2.gz XRXPHFYSKYNICH-INIZCTEOSA-N 2 1 306.450 2.786 20 0 DFADMP CO[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662325912 431047082 /nfs/dbraw/zinc/04/70/82/431047082.db2.gz LDWVDNIOHLUOSP-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000662318887 431047785 /nfs/dbraw/zinc/04/77/85/431047785.db2.gz ACYBBJGFZINXBG-WMZOPIPTSA-N 2 1 306.425 2.856 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CCO1 ZINC000662318887 431047788 /nfs/dbraw/zinc/04/77/88/431047788.db2.gz ACYBBJGFZINXBG-WMZOPIPTSA-N 2 1 306.425 2.856 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2ccc(Cl)cc2)CCO1 ZINC000662326356 431049628 /nfs/dbraw/zinc/04/96/28/431049628.db2.gz SCPGSMVLQCCKQT-QGZVFWFLSA-N 2 1 310.869 2.925 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@](C)(C(F)F)O1 ZINC000662335580 431050484 /nfs/dbraw/zinc/05/04/84/431050484.db2.gz OHNUKXXAOXDOOE-SJCJKPOMSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@](C)(C(F)F)O1 ZINC000662335580 431050487 /nfs/dbraw/zinc/05/04/87/431050487.db2.gz OHNUKXXAOXDOOE-SJCJKPOMSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000649288267 431058202 /nfs/dbraw/zinc/05/82/02/431058202.db2.gz GYNBRDJBDXHTLY-UWIFEVILSA-N 2 1 313.445 2.607 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC3CCC(=O)CC3)C2)c1 ZINC000649301504 431060065 /nfs/dbraw/zinc/06/00/65/431060065.db2.gz PPNOAEWJZVXBIR-MRXNPFEDSA-N 2 1 301.434 2.883 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC3CCC(=O)CC3)C2)c1 ZINC000649301504 431060067 /nfs/dbraw/zinc/06/00/67/431060067.db2.gz PPNOAEWJZVXBIR-MRXNPFEDSA-N 2 1 301.434 2.883 20 0 DFADMP [NH3+]C1CCC(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CC1 ZINC000649303292 431060076 /nfs/dbraw/zinc/06/00/76/431060076.db2.gz QVRPTYGVPUITLE-UHFFFAOYSA-N 2 1 321.509 2.619 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649306724 431062368 /nfs/dbraw/zinc/06/23/68/431062368.db2.gz LHUWHAJYJLRCKK-WWGRRREGSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649306724 431062370 /nfs/dbraw/zinc/06/23/70/431062370.db2.gz LHUWHAJYJLRCKK-WWGRRREGSA-N 2 1 323.868 2.576 20 0 DFADMP [NH3+][C@@H](CCC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000649306217 431063505 /nfs/dbraw/zinc/06/35/05/431063505.db2.gz GNOMKQNTGBBHDL-IBGZPJMESA-N 2 1 323.440 2.599 20 0 DFADMP CC(C)[NH2+]CC(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000662382968 431067625 /nfs/dbraw/zinc/06/76/25/431067625.db2.gz SLLHPOZURGRNOB-MRXNPFEDSA-N 2 1 323.868 2.591 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H]([NH3+])[C@@H](C)C3)on2)cc1 ZINC000662243248 431012941 /nfs/dbraw/zinc/01/29/41/431012941.db2.gz HEFBAZZEHXUKOI-LRDDRELGSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H]([NH3+])[C@@H](C)C3)on2)cc1 ZINC000662243248 431012947 /nfs/dbraw/zinc/01/29/47/431012947.db2.gz HEFBAZZEHXUKOI-LRDDRELGSA-N 2 1 301.390 2.519 20 0 DFADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249156 431012969 /nfs/dbraw/zinc/01/29/69/431012969.db2.gz RAZYCKSSHONLDI-CQSZACIVSA-N 2 1 314.429 2.948 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)c2C1 ZINC000655446323 431013211 /nfs/dbraw/zinc/01/32/11/431013211.db2.gz OCLPBJYRAPTWSW-VQIMIIECSA-N 2 1 313.445 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@]34CCC[NH2+]C4)c2C1 ZINC000655446323 431013215 /nfs/dbraw/zinc/01/32/15/431013215.db2.gz OCLPBJYRAPTWSW-VQIMIIECSA-N 2 1 313.445 2.740 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1cccc2c1CC[NH2+]C2 ZINC000662248744 431013577 /nfs/dbraw/zinc/01/35/77/431013577.db2.gz JCGAKRBOBCAIOL-UHFFFAOYSA-N 2 1 310.397 2.693 20 0 DFADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253021 431015403 /nfs/dbraw/zinc/01/54/03/431015403.db2.gz GLHHJFKKGKDQEZ-HOTGVXAUSA-N 2 1 320.864 2.868 20 0 DFADMP c1ccc(C[C@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256156 431015597 /nfs/dbraw/zinc/01/55/97/431015597.db2.gz HJUHFLUKPSLOMF-QZTJIDSGSA-N 2 1 300.446 2.605 20 0 DFADMP CCc1ccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250971 431016250 /nfs/dbraw/zinc/01/62/50/431016250.db2.gz UMDAQRBWHRXOKK-GOSISDBHSA-N 2 1 300.446 2.734 20 0 DFADMP C[N@@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250131 431016806 /nfs/dbraw/zinc/01/68/06/431016806.db2.gz YVHSLCZIRXDOAR-ZDUSSCGKSA-N 2 1 315.244 2.946 20 0 DFADMP C[N@H+](Cc1ccc(Cl)cc1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250131 431016811 /nfs/dbraw/zinc/01/68/11/431016811.db2.gz YVHSLCZIRXDOAR-ZDUSSCGKSA-N 2 1 315.244 2.946 20 0 DFADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cccc(OC)c1 ZINC000662252139 431017208 /nfs/dbraw/zinc/01/72/08/431017208.db2.gz KJEXOBLPSDWTMM-WMLDXEAASA-N 2 1 304.434 2.599 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256148 431017314 /nfs/dbraw/zinc/01/73/14/431017314.db2.gz HDZAXVIJGNBRJS-OALUTQOASA-N 2 1 314.473 2.771 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254052 431017327 /nfs/dbraw/zinc/01/73/27/431017327.db2.gz DPOPYCDNDXFQBY-CZUORRHYSA-N 2 1 308.853 2.724 20 0 DFADMP CCOc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OC(F)F ZINC000655755236 431116617 /nfs/dbraw/zinc/11/66/17/431116617.db2.gz UQONTIGXWJUZAH-UHFFFAOYSA-N 2 1 314.376 2.872 20 0 DFADMP c1ccc(CC2([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655757406 431119906 /nfs/dbraw/zinc/11/99/06/431119906.db2.gz RQLUQTKYPMPYME-IBGZPJMESA-N 2 1 314.473 2.995 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000645942233 431121765 /nfs/dbraw/zinc/12/17/65/431121765.db2.gz ZVBZYRRCZNEBBK-DLBZAZTESA-N 2 1 318.465 2.653 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000645942238 431123276 /nfs/dbraw/zinc/12/32/76/431123276.db2.gz ZWEDXUAKLXWHEJ-DYVFJYSZSA-N 2 1 312.417 2.689 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649345403 431071706 /nfs/dbraw/zinc/07/17/06/431071706.db2.gz ZKHYMOQSFPWSLO-CYBMUJFWSA-N 2 1 314.433 2.875 20 0 DFADMP CC1(C)CC([NH2+]C2CCN(C[C@H]3CCCO3)CC2)CC(C)(C)[NH2+]1 ZINC000655683189 431080721 /nfs/dbraw/zinc/08/07/21/431080721.db2.gz PHLYSVWKPOTVSY-QGZVFWFLSA-N 2 1 323.525 2.529 20 0 DFADMP c1ccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655683587 431080775 /nfs/dbraw/zinc/08/07/75/431080775.db2.gz IBLFIGVWDDTHGY-IBGZPJMESA-N 2 1 302.462 2.852 20 0 DFADMP Fc1cccc(F)c1CC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000645814690 431081192 /nfs/dbraw/zinc/08/11/92/431081192.db2.gz GUKTVOIDKHKQMZ-UHFFFAOYSA-N 2 1 303.356 2.725 20 0 DFADMP c1ccc(SCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655684119 431083314 /nfs/dbraw/zinc/08/33/14/431083314.db2.gz XMBQOFHIUWXZTM-MRXNPFEDSA-N 2 1 306.475 2.622 20 0 DFADMP Fc1cccc(F)c1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655694998 431084516 /nfs/dbraw/zinc/08/45/16/431084516.db2.gz NSMWMINARVYCHY-OAHLLOKOSA-N 2 1 324.415 2.740 20 0 DFADMP Cc1ccc(OCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655704535 431088901 /nfs/dbraw/zinc/08/89/01/431088901.db2.gz FGZSTONHVUINJM-GOSISDBHSA-N 2 1 318.461 2.607 20 0 DFADMP c1cnc2c(c1)cccc2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655703408 431089284 /nfs/dbraw/zinc/08/92/84/431089284.db2.gz PMPWRUSMIIMQGW-GOSISDBHSA-N 2 1 311.429 2.578 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411726 431093192 /nfs/dbraw/zinc/09/31/92/431093192.db2.gz ZHBFLMFZHIJING-VQIMIIECSA-N 2 1 311.429 2.970 20 0 DFADMP CC[N@H+]1CC[C@H](CNCc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655711403 431093244 /nfs/dbraw/zinc/09/32/44/431093244.db2.gz JPCXEKSXPNPHGN-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655711403 431093251 /nfs/dbraw/zinc/09/32/51/431093251.db2.gz JPCXEKSXPNPHGN-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655711403 431093257 /nfs/dbraw/zinc/09/32/57/431093257.db2.gz JPCXEKSXPNPHGN-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C[C@@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000649412910 431094036 /nfs/dbraw/zinc/09/40/36/431094036.db2.gz DAEPSCMQKVQDTH-WOJBJXKFSA-N 2 1 313.489 2.584 20 0 DFADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413863 431094502 /nfs/dbraw/zinc/09/45/02/431094502.db2.gz OIAFDWWOUYQCGP-FQEVSTJZSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655715886 431095618 /nfs/dbraw/zinc/09/56/18/431095618.db2.gz JGXCGTQXOHUSGI-KDOFPFPSSA-N 2 1 306.425 2.772 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000649414503 431096202 /nfs/dbraw/zinc/09/62/02/431096202.db2.gz CIECHEYLIFNODQ-KRWDZBQOSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000649414503 431096205 /nfs/dbraw/zinc/09/62/05/431096205.db2.gz CIECHEYLIFNODQ-KRWDZBQOSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)c1 ZINC000649414503 431096211 /nfs/dbraw/zinc/09/62/11/431096211.db2.gz CIECHEYLIFNODQ-KRWDZBQOSA-N 3 1 302.466 2.514 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)[C@@H](C)C1 ZINC000655714860 431096311 /nfs/dbraw/zinc/09/63/11/431096311.db2.gz FNVSYYKMVVRRHD-NXOAAHMSSA-N 2 1 314.539 2.997 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000649414704 431096461 /nfs/dbraw/zinc/09/64/61/431096461.db2.gz RJFCVTNKTDSZHE-GOSISDBHSA-N 2 1 316.493 2.904 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000649414704 431096468 /nfs/dbraw/zinc/09/64/68/431096468.db2.gz RJFCVTNKTDSZHE-GOSISDBHSA-N 3 1 316.493 2.904 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000649414704 431096473 /nfs/dbraw/zinc/09/64/73/431096473.db2.gz RJFCVTNKTDSZHE-GOSISDBHSA-N 3 1 316.493 2.904 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncnc2C)[C@@H](C)C1 ZINC000655716500 431097010 /nfs/dbraw/zinc/09/70/10/431097010.db2.gz UNFKRDLIYDENJW-LESCRADOSA-N 2 1 320.481 2.573 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncnc2C)[C@@H](C)C1 ZINC000655716500 431097011 /nfs/dbraw/zinc/09/70/11/431097011.db2.gz UNFKRDLIYDENJW-LESCRADOSA-N 2 1 320.481 2.573 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000655722692 431102116 /nfs/dbraw/zinc/10/21/16/431102116.db2.gz BVQVIHLQIBYPKR-UHFFFAOYSA-N 2 1 309.417 2.784 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[C@@H](C)SC3)C2)nc(C)[nH+]1 ZINC000655731815 431105731 /nfs/dbraw/zinc/10/57/31/431105731.db2.gz UINXFHFAQLOBTK-VNQPRFMTSA-N 2 1 320.506 2.936 20 0 DFADMP C[N@@H+](CCc1c(F)cccc1F)C[C@@H]1CCn2ccnc2C1 ZINC000645892752 431105954 /nfs/dbraw/zinc/10/59/54/431105954.db2.gz QKTPNWRMLBBCRC-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@H+](CCc1c(F)cccc1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000645892752 431105957 /nfs/dbraw/zinc/10/59/57/431105957.db2.gz QKTPNWRMLBBCRC-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1c(F)cccc1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000645892752 431105961 /nfs/dbraw/zinc/10/59/61/431105961.db2.gz QKTPNWRMLBBCRC-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460709 431107726 /nfs/dbraw/zinc/10/77/26/431107726.db2.gz VRKRJYMDWOYUPH-QZTJIDSGSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000649460709 431107730 /nfs/dbraw/zinc/10/77/30/431107730.db2.gz VRKRJYMDWOYUPH-QZTJIDSGSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000649460709 431107733 /nfs/dbraw/zinc/10/77/33/431107733.db2.gz VRKRJYMDWOYUPH-QZTJIDSGSA-N 2 1 313.445 2.635 20 0 DFADMP Cc1cc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2[nH]1 ZINC000655768516 431129519 /nfs/dbraw/zinc/12/95/19/431129519.db2.gz GUTSJNXDRXOYCO-GOSISDBHSA-N 2 1 313.445 2.819 20 0 DFADMP CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453030 279009073 /nfs/dbraw/zinc/00/90/73/279009073.db2.gz GMNACYPXEQXIOG-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP Cc1cncc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184325308 279025610 /nfs/dbraw/zinc/02/56/10/279025610.db2.gz JYERLNJRTNSYEV-IXDOHACOSA-N 2 1 305.466 2.930 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000371517501 288104967 /nfs/dbraw/zinc/10/49/67/288104967.db2.gz FDRGTELHYOWOPG-ZJXIFLPPSA-N 2 1 315.505 2.998 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000371517501 288104968 /nfs/dbraw/zinc/10/49/68/288104968.db2.gz FDRGTELHYOWOPG-ZJXIFLPPSA-N 2 1 315.505 2.998 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000371517501 288104970 /nfs/dbraw/zinc/10/49/70/288104970.db2.gz FDRGTELHYOWOPG-ZJXIFLPPSA-N 2 1 315.505 2.998 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1)C(C)C ZINC000662609208 431133967 /nfs/dbraw/zinc/13/39/67/431133967.db2.gz WPEYZYDKIBSJNJ-UHFFFAOYSA-N 2 1 305.466 2.726 20 0 DFADMP C[C@H](C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000122284176 279223213 /nfs/dbraw/zinc/22/32/13/279223213.db2.gz XZZLFZOWMGYSLY-ZJPYXAASSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000122284176 279223214 /nfs/dbraw/zinc/22/32/14/279223214.db2.gz XZZLFZOWMGYSLY-ZJPYXAASSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000122284176 279223215 /nfs/dbraw/zinc/22/32/15/279223215.db2.gz XZZLFZOWMGYSLY-ZJPYXAASSA-N 2 1 323.525 2.876 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361495210 279299800 /nfs/dbraw/zinc/29/98/00/279299800.db2.gz CQJMQSMBDGESGJ-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361495210 279299801 /nfs/dbraw/zinc/29/98/01/279299801.db2.gz CQJMQSMBDGESGJ-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361495210 279299804 /nfs/dbraw/zinc/29/98/04/279299804.db2.gz CQJMQSMBDGESGJ-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CSc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000659891003 431173545 /nfs/dbraw/zinc/17/35/45/431173545.db2.gz JUYNHRGOWGGYCO-HNNXBMFYSA-N 2 1 322.518 2.933 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)nc(C)[nH+]1 ZINC000659887864 431174736 /nfs/dbraw/zinc/17/47/36/431174736.db2.gz BOZDESHDESLABB-YYIAUSFCSA-N 2 1 300.450 2.698 20 0 DFADMP Cc1cc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)nn1C ZINC000666281680 431178405 /nfs/dbraw/zinc/17/84/05/431178405.db2.gz APRMRZMTMPXLHB-QGZVFWFLSA-N 2 1 309.417 2.536 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@@H]3CCC[NH+]3C)C2)s1 ZINC000649603432 431191223 /nfs/dbraw/zinc/19/12/23/431191223.db2.gz MFQPPZYMSSJMJZ-IRXDYDNUSA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000649603432 431191230 /nfs/dbraw/zinc/19/12/30/431191230.db2.gz MFQPPZYMSSJMJZ-IRXDYDNUSA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000649603432 431191234 /nfs/dbraw/zinc/19/12/34/431191234.db2.gz MFQPPZYMSSJMJZ-IRXDYDNUSA-N 2 1 321.534 2.904 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH+]1C ZINC000649539147 431149286 /nfs/dbraw/zinc/14/92/86/431149286.db2.gz LCOQLXHGVWIZBF-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C[C@H]1CCC[N@@H+]1C ZINC000649539147 431149290 /nfs/dbraw/zinc/14/92/90/431149290.db2.gz LCOQLXHGVWIZBF-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C[C@H]1CCC[N@H+]1C ZINC000649539147 431149296 /nfs/dbraw/zinc/14/92/96/431149296.db2.gz LCOQLXHGVWIZBF-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668152 431157206 /nfs/dbraw/zinc/15/72/06/431157206.db2.gz IKJINZRZKPCNFB-SJLPKXTDSA-N 2 1 321.509 2.807 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667419 431157428 /nfs/dbraw/zinc/15/74/28/431157428.db2.gz AAJXHNIHYQBZJG-ZBFHGGJFSA-N 2 1 309.498 2.534 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865821 431158019 /nfs/dbraw/zinc/15/80/19/431158019.db2.gz QJQSEFVMZWIRLL-GBESFXJTSA-N 2 1 308.510 2.981 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[C@H](C)[N@H+]1C)c1ccccc1 ZINC000646040213 431159216 /nfs/dbraw/zinc/15/92/16/431159216.db2.gz DKOTZVBBOARHMD-SZMVWBNQSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccnn1-c1ccccc1 ZINC000376133126 279478546 /nfs/dbraw/zinc/47/85/46/279478546.db2.gz MRSOHBPKKVUWCP-HOTGVXAUSA-N 2 1 321.428 2.982 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000268888865 279482376 /nfs/dbraw/zinc/48/23/76/279482376.db2.gz ZJAYHZNCUQYKFA-STQMWFEESA-N 2 1 316.367 2.813 20 0 DFADMP C[NH+](CCO[C@@H]1CC1(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659972158 431216743 /nfs/dbraw/zinc/21/67/43/431216743.db2.gz RRXRBRLSINNIDM-IAGOWNOFSA-N 2 1 324.415 2.865 20 0 DFADMP C[NH+](CCO[C@@H]1CC1(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659972158 431216750 /nfs/dbraw/zinc/21/67/50/431216750.db2.gz RRXRBRLSINNIDM-IAGOWNOFSA-N 2 1 324.415 2.865 20 0 DFADMP Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1F ZINC000666565290 431275867 /nfs/dbraw/zinc/27/58/67/431275867.db2.gz KTDMFJVUYCJGRY-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1F ZINC000666565290 431275872 /nfs/dbraw/zinc/27/58/72/431275872.db2.gz KTDMFJVUYCJGRY-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)C1CCCCC1 ZINC000660118438 431277057 /nfs/dbraw/zinc/27/70/57/431277057.db2.gz UYOOKTZGWVLOOS-FCGDIQPGSA-N 2 1 324.509 2.765 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298109858 279586075 /nfs/dbraw/zinc/58/60/75/279586075.db2.gz OFNZTJKWOVUGNG-JXFKEZNVSA-N 2 1 316.489 2.833 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCC[C@H]1O ZINC000660167012 431300161 /nfs/dbraw/zinc/30/01/61/431300161.db2.gz XFXVWGVIVFPVRP-QZTJIDSGSA-N 2 1 303.450 2.533 20 0 DFADMP CC[N@@H+](CCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])C1CCCCC1 ZINC000653200057 431306522 /nfs/dbraw/zinc/30/65/22/431306522.db2.gz WACRJMPEJWBOMJ-DOTOQJQBSA-N 2 1 309.498 2.665 20 0 DFADMP CC[N@@H+](CCCNC(=O)c1ccc(C[NH3+])o1)C1CCCCC1 ZINC000653200835 431306611 /nfs/dbraw/zinc/30/66/11/431306611.db2.gz RJQNLXZSHUTFSM-UHFFFAOYSA-N 2 1 307.438 2.513 20 0 DFADMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000649754254 431274389 /nfs/dbraw/zinc/27/43/89/431274389.db2.gz HQLGPGUWFSDDKL-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCOC1 ZINC000649754254 431274403 /nfs/dbraw/zinc/27/44/03/431274403.db2.gz HQLGPGUWFSDDKL-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP FCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000663339217 431371649 /nfs/dbraw/zinc/37/16/49/431371649.db2.gz SWOKJVNZBDIVLA-KRWDZBQOSA-N 2 1 306.425 2.759 20 0 DFADMP FCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000663339217 431371655 /nfs/dbraw/zinc/37/16/55/431371655.db2.gz SWOKJVNZBDIVLA-KRWDZBQOSA-N 2 1 306.425 2.759 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000653279906 431349118 /nfs/dbraw/zinc/34/91/18/431349118.db2.gz JNPCOZZONKUKAI-CRAIPNDOSA-N 2 1 311.429 2.972 20 0 DFADMP Cc1cc(CO)cc(NC2CC[NH+](CC3CCCC3)CC2)[nH+]1 ZINC000663455731 431424836 /nfs/dbraw/zinc/42/48/36/431424836.db2.gz SIPALZSHZRJMME-UHFFFAOYSA-N 2 1 303.450 2.949 20 0 DFADMP COc1ccc(OC)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347879 431376748 /nfs/dbraw/zinc/37/67/48/431376748.db2.gz YZTFWRJGBYKCFC-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(OC)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347879 431376755 /nfs/dbraw/zinc/37/67/55/431376755.db2.gz YZTFWRJGBYKCFC-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP c1cc2c(cc1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)OCCO2 ZINC000663347290 431377034 /nfs/dbraw/zinc/37/70/34/431377034.db2.gz JBVYFUQSRHSYQT-QGZVFWFLSA-N 2 1 316.445 2.669 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@@H](C)[NH3+])c1 ZINC000666843196 431380131 /nfs/dbraw/zinc/38/01/31/431380131.db2.gz WVQFZAZQYWBHRP-CYBMUJFWSA-N 2 1 315.421 2.524 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663359910 431384750 /nfs/dbraw/zinc/38/47/50/431384750.db2.gz KUMZJHYEXHXWKV-QGZVFWFLSA-N 2 1 317.477 2.750 20 0 DFADMP Clc1ccccc1Cn1cc(C[NH2+][C@H]2CCC[NH2+]CC2)cn1 ZINC000666855240 431386973 /nfs/dbraw/zinc/38/69/73/431386973.db2.gz GVIDWUPEYODGBW-INIZCTEOSA-N 2 1 318.852 2.817 20 0 DFADMP C[C@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000653471992 431389394 /nfs/dbraw/zinc/38/93/94/431389394.db2.gz CNFOCNKTMGCRGN-GJZGRUSLSA-N 2 1 317.481 2.903 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000653472565 431392947 /nfs/dbraw/zinc/39/29/47/431392947.db2.gz UPRDAPYYWPMDOB-CABCVRRESA-N 2 1 317.481 2.667 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666993881 431438180 /nfs/dbraw/zinc/43/81/80/431438180.db2.gz QQDHIWFYIKMNIP-HNNXBMFYSA-N 2 1 314.408 2.776 20 0 DFADMP c1cc(CCC[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cs1 ZINC000660476658 431449254 /nfs/dbraw/zinc/44/92/54/431449254.db2.gz DOFCLOLVMNEZKT-QGZVFWFLSA-N 2 1 308.491 2.867 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](CC(C)C)c1ccccc1OC ZINC000653606904 431456114 /nfs/dbraw/zinc/45/61/14/431456114.db2.gz KIDXYVKDVMSXID-WBVHZDCISA-N 2 1 308.466 2.685 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cn(C)cn3)C2)s1 ZINC000660497080 431461402 /nfs/dbraw/zinc/46/14/02/431461402.db2.gz KZEQHIHRDFYZNT-OAHLLOKOSA-N 2 1 318.490 2.744 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000650179213 431478652 /nfs/dbraw/zinc/47/86/52/431478652.db2.gz ZHTUGNMVSWIHOV-QGZVFWFLSA-N 2 1 319.493 2.601 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000650179213 431478659 /nfs/dbraw/zinc/47/86/59/431478659.db2.gz ZHTUGNMVSWIHOV-QGZVFWFLSA-N 2 1 319.493 2.601 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000650179213 431478662 /nfs/dbraw/zinc/47/86/62/431478662.db2.gz ZHTUGNMVSWIHOV-QGZVFWFLSA-N 2 1 319.493 2.601 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660432830 431428404 /nfs/dbraw/zinc/42/84/04/431428404.db2.gz XXEGFTOAGOSECE-BHIYHBOVSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660432830 431428413 /nfs/dbraw/zinc/42/84/13/431428413.db2.gz XXEGFTOAGOSECE-BHIYHBOVSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660432830 431428419 /nfs/dbraw/zinc/42/84/19/431428419.db2.gz XXEGFTOAGOSECE-BHIYHBOVSA-N 2 1 304.478 2.874 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467213 431430508 /nfs/dbraw/zinc/43/05/08/431430508.db2.gz DSCPWQXKTWZUNF-RDJZCZTQSA-N 2 1 302.466 2.509 20 0 DFADMP O[C@H]1CCC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445264 431433333 /nfs/dbraw/zinc/43/33/33/431433333.db2.gz APMPMUSWMLVBEY-HAGHYFMRSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@H]1CCC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445264 431433341 /nfs/dbraw/zinc/43/33/41/431433341.db2.gz APMPMUSWMLVBEY-HAGHYFMRSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@H]1CCC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445264 431433346 /nfs/dbraw/zinc/43/33/46/431433346.db2.gz APMPMUSWMLVBEY-HAGHYFMRSA-N 2 1 314.473 2.601 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)n2c1 ZINC000666996945 431436921 /nfs/dbraw/zinc/43/69/21/431436921.db2.gz NIWXTJVNWPPHNJ-ZDUSSCGKSA-N 2 1 304.825 2.752 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762170 431515929 /nfs/dbraw/zinc/51/59/29/431515929.db2.gz YYAQTPDWZMGZSF-QZTJIDSGSA-N 2 1 302.462 2.569 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](CCc3nsc4ccccc43)C2)C1 ZINC000660616313 431515965 /nfs/dbraw/zinc/51/59/65/431515965.db2.gz JNZRGKXTVHVFLI-KRWDZBQOSA-N 2 1 301.459 2.866 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](CCc3nsc4ccccc43)C2)C1 ZINC000660616313 431515969 /nfs/dbraw/zinc/51/59/69/431515969.db2.gz JNZRGKXTVHVFLI-KRWDZBQOSA-N 2 1 301.459 2.866 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660616313 431515974 /nfs/dbraw/zinc/51/59/74/431515974.db2.gz JNZRGKXTVHVFLI-KRWDZBQOSA-N 2 1 301.459 2.866 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660616313 431515980 /nfs/dbraw/zinc/51/59/80/431515980.db2.gz JNZRGKXTVHVFLI-KRWDZBQOSA-N 2 1 301.459 2.866 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCc1c(F)cccc1F)CCO2 ZINC000653777069 431520094 /nfs/dbraw/zinc/52/00/94/431520094.db2.gz IPZRVUPMCPRFKX-UHFFFAOYSA-N 2 1 324.415 2.694 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1C ZINC000656785977 431522827 /nfs/dbraw/zinc/52/28/27/431522827.db2.gz ORSIQAFNNJGNBA-QGZVFWFLSA-N 2 1 304.482 2.731 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCC1 ZINC000656788704 431526816 /nfs/dbraw/zinc/52/68/16/431526816.db2.gz XGQQHFYMKGZFCV-UHFFFAOYSA-N 3 1 317.477 2.522 20 0 DFADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249127 431527415 /nfs/dbraw/zinc/52/74/15/431527415.db2.gz DAQVPWDOCPKOAE-MOPGFXCFSA-N 2 1 324.472 2.583 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249141 431527568 /nfs/dbraw/zinc/52/75/68/431527568.db2.gz DRBUQBJMUPLIAL-MKXGPGLRSA-N 2 1 302.462 2.879 20 0 DFADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248898 431528569 /nfs/dbraw/zinc/52/85/69/431528569.db2.gz MZSKCFRDWORWIM-MOPGFXCFSA-N 2 1 312.461 2.899 20 0 DFADMP CC(C)n1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647248898 431528573 /nfs/dbraw/zinc/52/85/73/431528573.db2.gz MZSKCFRDWORWIM-MOPGFXCFSA-N 2 1 312.461 2.899 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000656695005 431482125 /nfs/dbraw/zinc/48/21/25/431482125.db2.gz YWLHBFZWPIZOFC-KXBFYZLASA-N 2 1 304.478 2.917 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000656695005 431482129 /nfs/dbraw/zinc/48/21/29/431482129.db2.gz YWLHBFZWPIZOFC-KXBFYZLASA-N 2 1 304.478 2.917 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000647171249 431493075 /nfs/dbraw/zinc/49/30/75/431493075.db2.gz DDWAPBPACBIJGT-CALCHBBNSA-N 2 1 306.498 2.997 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000647171249 431493080 /nfs/dbraw/zinc/49/30/80/431493080.db2.gz DDWAPBPACBIJGT-CALCHBBNSA-N 2 1 306.498 2.997 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647174993 431494174 /nfs/dbraw/zinc/49/41/74/431494174.db2.gz TYYLJEIPKXZHPH-HNNXBMFYSA-N 2 1 316.449 2.810 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647188210 431501203 /nfs/dbraw/zinc/50/12/03/431501203.db2.gz WGKIDJVVOPGDAT-GBESFXJTSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647188210 431501210 /nfs/dbraw/zinc/50/12/10/431501210.db2.gz WGKIDJVVOPGDAT-GBESFXJTSA-N 2 1 314.473 2.934 20 0 DFADMP Cc1cc(CO)cc(NCC2CCN(c3cc[nH+]cc3)CC2)[nH+]1 ZINC000663768850 431532297 /nfs/dbraw/zinc/53/22/97/431532297.db2.gz KSANDEVZGCYGDF-UHFFFAOYSA-N 2 1 312.417 2.606 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000653727091 431503351 /nfs/dbraw/zinc/50/33/51/431503351.db2.gz JRFIJHYHXFDSQT-UHFFFAOYSA-N 2 1 304.478 2.616 20 0 DFADMP OC[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647196479 431504566 /nfs/dbraw/zinc/50/45/66/431504566.db2.gz AFKVAZQAYRLFBS-RTBURBONSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@@H](CC1CC1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647196479 431504571 /nfs/dbraw/zinc/50/45/71/431504571.db2.gz AFKVAZQAYRLFBS-RTBURBONSA-N 2 1 314.473 2.934 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cn1 ZINC000647206446 431511230 /nfs/dbraw/zinc/51/12/30/431511230.db2.gz RZCINJPRXNVSHW-MRXNPFEDSA-N 2 1 321.428 2.729 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000653755335 431512555 /nfs/dbraw/zinc/51/25/55/431512555.db2.gz LNQUNIIGQXEGQO-UHFFFAOYSA-N 2 1 313.445 2.734 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762170 431515904 /nfs/dbraw/zinc/51/59/04/431515904.db2.gz YYAQTPDWZMGZSF-QZTJIDSGSA-N 2 1 302.462 2.569 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762170 431515912 /nfs/dbraw/zinc/51/59/12/431515912.db2.gz YYAQTPDWZMGZSF-QZTJIDSGSA-N 2 1 302.462 2.569 20 0 DFADMP C[N@H+]1C[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@H](c2ccccc2)C1 ZINC000647344464 431558587 /nfs/dbraw/zinc/55/85/87/431558587.db2.gz RAPUYIRCUNTNSJ-XLIONFOSSA-N 2 1 313.489 2.548 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@]1(C)CCCO1 ZINC000647344620 431559189 /nfs/dbraw/zinc/55/91/89/431559189.db2.gz VRFJCWHHHXYBSN-OQIJWPOYSA-N 2 1 302.462 2.879 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343848 431559679 /nfs/dbraw/zinc/55/96/79/431559679.db2.gz DKFCLDZGAQTFKT-QRQLOZEOSA-N 2 1 312.461 2.597 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000647344468 431560470 /nfs/dbraw/zinc/56/04/70/431560470.db2.gz REMVNLIBVJNDFQ-LZQZEXGQSA-N 2 1 302.462 2.737 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000647344658 431560998 /nfs/dbraw/zinc/56/09/98/431560998.db2.gz WIKQACFJHMQCOZ-OWYHZJEWSA-N 2 1 302.462 2.737 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000660656737 431533444 /nfs/dbraw/zinc/53/34/44/431533444.db2.gz WXVUERBMFOCOTB-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000660656737 431533448 /nfs/dbraw/zinc/53/34/48/431533448.db2.gz WXVUERBMFOCOTB-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000660656737 431533453 /nfs/dbraw/zinc/53/34/53/431533453.db2.gz WXVUERBMFOCOTB-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659101 431536649 /nfs/dbraw/zinc/53/66/49/431536649.db2.gz MWPCXSGPRNJAIP-IBGZPJMESA-N 2 1 311.429 2.858 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659101 431536651 /nfs/dbraw/zinc/53/66/51/431536651.db2.gz MWPCXSGPRNJAIP-IBGZPJMESA-N 2 1 311.429 2.858 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659101 431536655 /nfs/dbraw/zinc/53/66/55/431536655.db2.gz MWPCXSGPRNJAIP-IBGZPJMESA-N 2 1 311.429 2.858 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659101 431536659 /nfs/dbraw/zinc/53/66/59/431536659.db2.gz MWPCXSGPRNJAIP-IBGZPJMESA-N 2 1 311.429 2.858 20 0 DFADMP COc1ccc([C@H](CC(C)C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000647296437 431542964 /nfs/dbraw/zinc/54/29/64/431542964.db2.gz ILAPNUVNTBCNKW-IBGZPJMESA-N 2 1 320.477 2.829 20 0 DFADMP Cc1cc(CO)cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000663806472 431549569 /nfs/dbraw/zinc/54/95/69/431549569.db2.gz ZTSGLIOXMMTRDR-RDTXWAMCSA-N 2 1 311.429 2.815 20 0 DFADMP c1cncc([C@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)c1 ZINC000647337949 431554673 /nfs/dbraw/zinc/55/46/73/431554673.db2.gz XPIGDJBGUBRDKN-SJLPKXTDSA-N 2 1 301.434 2.518 20 0 DFADMP CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479757 431601184 /nfs/dbraw/zinc/60/11/84/431601184.db2.gz SYWBMKZPZRNGQJ-DLBZAZTESA-N 2 1 302.466 2.502 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479757 431601190 /nfs/dbraw/zinc/60/11/90/431601190.db2.gz SYWBMKZPZRNGQJ-DLBZAZTESA-N 2 1 302.466 2.502 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480697 431602016 /nfs/dbraw/zinc/60/20/16/431602016.db2.gz XLBUACWQWKSIAM-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705867 431653691 /nfs/dbraw/zinc/65/36/91/431653691.db2.gz ZFTOOUFLHNBGAE-CPUCHLNUSA-N 2 1 310.388 2.683 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706669 431654183 /nfs/dbraw/zinc/65/41/83/431654183.db2.gz PYLWVXGCRBWWFC-YXJHDRRASA-N 2 1 306.425 2.852 20 0 DFADMP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650706575 431655132 /nfs/dbraw/zinc/65/51/32/431655132.db2.gz NPSPGDQCNXJTRW-LZWOXQAQSA-N 2 1 323.506 2.985 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708983 431655906 /nfs/dbraw/zinc/65/59/06/431655906.db2.gz XSPOLHAEFUENRB-MPGHIAIKSA-N 2 1 322.424 2.553 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C2 ZINC000650709900 431657096 /nfs/dbraw/zinc/65/70/96/431657096.db2.gz WKIPVXKXJPUYNZ-HOCLYGCPSA-N 2 1 302.447 2.699 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709270 431657340 /nfs/dbraw/zinc/65/73/40/431657340.db2.gz ODYPBQZNLFWZFD-YJBOKZPZSA-N 2 1 304.482 2.816 20 0 DFADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708435 431657503 /nfs/dbraw/zinc/65/75/03/431657503.db2.gz ZLJPRUSDMOOZSK-ZNMIVQPWSA-N 2 1 323.506 2.985 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@H]1CC[NH3+] ZINC000650711468 431658797 /nfs/dbraw/zinc/65/87/97/431658797.db2.gz UOGZIGLBNOWPOG-RDJZCZTQSA-N 2 1 302.466 2.631 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnc3c(cnn3C(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498233 431605677 /nfs/dbraw/zinc/60/56/77/431605677.db2.gz CYVAXAGEFAEXKB-HOCLYGCPSA-N 2 1 301.438 2.571 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)CC[C@@H]1[NH3+] ZINC000647498233 431605684 /nfs/dbraw/zinc/60/56/84/431605684.db2.gz CYVAXAGEFAEXKB-HOCLYGCPSA-N 2 1 301.438 2.571 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000647493832 431606263 /nfs/dbraw/zinc/60/62/63/431606263.db2.gz ZCDGUAZYSFDZCY-HOCLYGCPSA-N 2 1 306.450 2.914 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000647493832 431606268 /nfs/dbraw/zinc/60/62/68/431606268.db2.gz ZCDGUAZYSFDZCY-HOCLYGCPSA-N 2 1 306.450 2.914 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)CC[C@H]1[NH3+] ZINC000647497458 431607567 /nfs/dbraw/zinc/60/75/67/431607567.db2.gz IKMLDZBLJZSOLM-RDTXWAMCSA-N 2 1 316.424 2.879 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)CC[C@H]1[NH3+] ZINC000647497458 431607574 /nfs/dbraw/zinc/60/75/74/431607574.db2.gz IKMLDZBLJZSOLM-RDTXWAMCSA-N 2 1 316.424 2.879 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@@H]1[NH3+] ZINC000647499017 431608646 /nfs/dbraw/zinc/60/86/46/431608646.db2.gz WYZRSBNXSMQRJW-NEWSRXKRSA-N 2 1 318.461 2.804 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C[NH3+] ZINC000650714556 431660614 /nfs/dbraw/zinc/66/06/14/431660614.db2.gz NHLXPXORWPYAOB-GDBMZVCRSA-N 2 1 319.836 2.684 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2cc(Cl)cc3cccnc32)C[C@H]1C[NH3+] ZINC000650714556 431660619 /nfs/dbraw/zinc/66/06/19/431660619.db2.gz NHLXPXORWPYAOB-GDBMZVCRSA-N 2 1 319.836 2.684 20 0 DFADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000647521657 431614946 /nfs/dbraw/zinc/61/49/46/431614946.db2.gz SSWDJRRQUWPQSR-GOSISDBHSA-N 3 1 319.493 2.591 20 0 DFADMP CC[N@@H+](Cc1ccc(N)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647517789 431615314 /nfs/dbraw/zinc/61/53/14/431615314.db2.gz DEHUNKXWBBARGD-LJQANCHMSA-N 2 1 324.472 2.838 20 0 DFADMP CC[N@H+](Cc1ccc(N)nc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000647517789 431615318 /nfs/dbraw/zinc/61/53/18/431615318.db2.gz DEHUNKXWBBARGD-LJQANCHMSA-N 2 1 324.472 2.838 20 0 DFADMP CC[NH+](Cc1ccc(N)nc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000647517789 431615325 /nfs/dbraw/zinc/61/53/25/431615325.db2.gz DEHUNKXWBBARGD-LJQANCHMSA-N 2 1 324.472 2.838 20 0 DFADMP CC[NH+](Cc1ccc(N)nc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000647517789 431615331 /nfs/dbraw/zinc/61/53/31/431615331.db2.gz DEHUNKXWBBARGD-LJQANCHMSA-N 2 1 324.472 2.838 20 0 DFADMP Cc1cccn2c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543405 431624274 /nfs/dbraw/zinc/62/42/74/431624274.db2.gz MUOPTNOKKDEAHL-DLBZAZTESA-N 2 1 312.461 2.854 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543227 431624511 /nfs/dbraw/zinc/62/45/11/431624511.db2.gz JRWOYECSDBXAGS-HZPDHXFCSA-N 2 1 318.461 2.915 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543290 431624663 /nfs/dbraw/zinc/62/46/63/431624663.db2.gz KPOUWPKPFTVTSQ-IAGOWNOFSA-N 2 1 301.478 2.964 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543910 431624848 /nfs/dbraw/zinc/62/48/48/431624848.db2.gz UJGUOSIYLMFBOP-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP Fc1cccn2cc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC000647543749 431625869 /nfs/dbraw/zinc/62/58/69/431625869.db2.gz RPKKHWNNXBSEJZ-CABCVRRESA-N 2 1 316.424 2.685 20 0 DFADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548806 431628271 /nfs/dbraw/zinc/62/82/71/431628271.db2.gz VEEIGIZUYOEPIT-SGMGOOAPSA-N 2 1 311.267 2.968 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[NH2+]C[C@H](C)C2)cc1OC ZINC000647549394 431628466 /nfs/dbraw/zinc/62/84/66/431628466.db2.gz XMZCSKOGWMXFHV-HIFRSBDPSA-N 2 1 306.450 2.569 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH3+])CCCCCC1 ZINC000647655007 431647457 /nfs/dbraw/zinc/64/74/57/431647457.db2.gz HBDCTAHQXYZOSW-CQSZACIVSA-N 2 1 306.454 2.565 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000660900482 431650038 /nfs/dbraw/zinc/65/00/38/431650038.db2.gz QOSIIYQVMHEPCW-HKUYNNGSSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000660900482 431650040 /nfs/dbraw/zinc/65/00/40/431650040.db2.gz QOSIIYQVMHEPCW-HKUYNNGSSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000660900482 431650044 /nfs/dbraw/zinc/65/00/44/431650044.db2.gz QOSIIYQVMHEPCW-HKUYNNGSSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000660900482 431650047 /nfs/dbraw/zinc/65/00/47/431650047.db2.gz QOSIIYQVMHEPCW-HKUYNNGSSA-N 2 1 322.468 2.924 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723266 431664297 /nfs/dbraw/zinc/66/42/97/431664297.db2.gz KMPIUTMMPONRAC-RCCFBDPRSA-N 2 1 306.425 2.995 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722694 431664524 /nfs/dbraw/zinc/66/45/24/431664524.db2.gz ZYPOYWBHRKRZOH-CGTJXYLNSA-N 2 1 304.434 2.556 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650724016 431664944 /nfs/dbraw/zinc/66/49/44/431664944.db2.gz XGFNJBFWAOSNPI-KURKYZTESA-N 2 1 320.481 2.633 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2F)C1 ZINC000650722352 431665418 /nfs/dbraw/zinc/66/54/18/431665418.db2.gz QESRZXQVTFPVIT-OIISXLGYSA-N 2 1 310.388 2.826 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cnc(C3CC3)s2)C1 ZINC000650723911 431665600 /nfs/dbraw/zinc/66/56/00/431665600.db2.gz VTLNPSPAORHLHM-BMFZPTHFSA-N 2 1 321.490 2.881 20 0 DFADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650721750 431665625 /nfs/dbraw/zinc/66/56/25/431665625.db2.gz ABZRWEFCYWIBFG-UHOSZYNNSA-N 2 1 318.461 2.946 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722696 431666029 /nfs/dbraw/zinc/66/60/29/431666029.db2.gz ZYPOYWBHRKRZOH-KBAYOESNSA-N 2 1 304.434 2.556 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657314823 431668286 /nfs/dbraw/zinc/66/82/86/431668286.db2.gz AZDRKGREBIHNID-NVXWUHKLSA-N 2 1 306.450 2.532 20 0 DFADMP COCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650724136 431669410 /nfs/dbraw/zinc/66/94/10/431669410.db2.gz YQOOQCVMCPSADF-GUDVDZBRSA-N 2 1 318.461 2.694 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657313041 431669827 /nfs/dbraw/zinc/66/98/27/431669827.db2.gz GKYKRWAUULMTGY-RYQLBKOJSA-N 2 1 318.461 2.817 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000657314265 431670176 /nfs/dbraw/zinc/67/01/76/431670176.db2.gz ZISGCKPEMOJSQK-ZYSHUDEJSA-N 2 1 318.461 2.817 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000657314265 431670180 /nfs/dbraw/zinc/67/01/80/431670180.db2.gz ZISGCKPEMOJSQK-ZYSHUDEJSA-N 2 1 318.461 2.817 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657319400 431674108 /nfs/dbraw/zinc/67/41/08/431674108.db2.gz WXWKZTQDUFQIPH-SFHVURJKSA-N 2 1 315.417 2.539 20 0 DFADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000647786079 431684280 /nfs/dbraw/zinc/68/42/80/431684280.db2.gz HPRWSWNELBAIBE-VAMGGRTRSA-N 2 1 316.489 2.983 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763979 431686151 /nfs/dbraw/zinc/68/61/51/431686151.db2.gz NKYRMZHSUUGYIM-FXAWDEMLSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763979 431686157 /nfs/dbraw/zinc/68/61/57/431686157.db2.gz NKYRMZHSUUGYIM-FXAWDEMLSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc(C(F)(F)F)cs1 ZINC000664197149 431692377 /nfs/dbraw/zinc/69/23/77/431692377.db2.gz ZQASMYNSVHTAHQ-JTQLQIEISA-N 2 1 324.416 2.846 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc(C(F)(F)F)cs1 ZINC000664197149 431692385 /nfs/dbraw/zinc/69/23/85/431692385.db2.gz ZQASMYNSVHTAHQ-JTQLQIEISA-N 2 1 324.416 2.846 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c2c1C ZINC000647708397 431663210 /nfs/dbraw/zinc/66/32/10/431663210.db2.gz KWHHFLQKDYERCG-CABCVRRESA-N 2 1 313.449 2.791 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903455 431724616 /nfs/dbraw/zinc/72/46/16/431724616.db2.gz JKHRMFNMONCGAT-ROUUACIJSA-N 2 1 321.509 2.537 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647925135 431730398 /nfs/dbraw/zinc/73/03/98/431730398.db2.gz ONIHOACNSRQAOD-GFCCVEGCSA-N 2 1 305.372 2.944 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647925135 431730406 /nfs/dbraw/zinc/73/04/06/431730406.db2.gz ONIHOACNSRQAOD-GFCCVEGCSA-N 2 1 305.372 2.944 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657412743 431734064 /nfs/dbraw/zinc/73/40/64/431734064.db2.gz DFGZUFSDELBIRV-KRWDZBQOSA-N 2 1 304.482 2.751 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657412743 431734071 /nfs/dbraw/zinc/73/40/71/431734071.db2.gz DFGZUFSDELBIRV-KRWDZBQOSA-N 2 1 304.482 2.751 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)CC[C@@H]1[NH3+] ZINC000647939037 431739620 /nfs/dbraw/zinc/73/96/20/431739620.db2.gz ZNBPCISDJRXONX-ZBFHGGJFSA-N 2 1 314.433 2.728 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000647956509 431747629 /nfs/dbraw/zinc/74/76/29/431747629.db2.gz WJQHFROYCWYHKW-FQEVSTJZSA-N 2 1 318.505 2.952 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657431650 431749040 /nfs/dbraw/zinc/74/90/40/431749040.db2.gz ZVQSVXHVIFYDNN-FUHWJXTLSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657431650 431749045 /nfs/dbraw/zinc/74/90/45/431749045.db2.gz ZVQSVXHVIFYDNN-FUHWJXTLSA-N 2 1 324.472 2.830 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964572 431754812 /nfs/dbraw/zinc/75/48/12/431754812.db2.gz PGMJDZLIJILYRE-RHSMWYFYSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964572 431754816 /nfs/dbraw/zinc/75/48/16/431754816.db2.gz PGMJDZLIJILYRE-RHSMWYFYSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964572 431754820 /nfs/dbraw/zinc/75/48/20/431754820.db2.gz PGMJDZLIJILYRE-RHSMWYFYSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964572 431754826 /nfs/dbraw/zinc/75/48/26/431754826.db2.gz PGMJDZLIJILYRE-RHSMWYFYSA-N 2 1 312.885 2.904 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000647965031 431755574 /nfs/dbraw/zinc/75/55/74/431755574.db2.gz COTMOYJGBUNMNB-ZACQAIPSSA-N 2 1 314.514 2.603 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000647965031 431755582 /nfs/dbraw/zinc/75/55/82/431755582.db2.gz COTMOYJGBUNMNB-ZACQAIPSSA-N 2 1 314.514 2.603 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1C[C@H](OCC)C1(C)C ZINC000647965031 431755587 /nfs/dbraw/zinc/75/55/87/431755587.db2.gz COTMOYJGBUNMNB-ZACQAIPSSA-N 2 1 314.514 2.603 20 0 DFADMP Fc1c(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cccc1OC1CC1 ZINC000657450852 431759095 /nfs/dbraw/zinc/75/90/95/431759095.db2.gz XTZKQBZKFDTYRZ-CYBMUJFWSA-N 2 1 315.392 2.916 20 0 DFADMP c1cc(CNC[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657453408 431760697 /nfs/dbraw/zinc/76/06/97/431760697.db2.gz XBOJTSKYBZZUIJ-LJQANCHMSA-N 2 1 324.472 2.905 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657453408 431760702 /nfs/dbraw/zinc/76/07/02/431760702.db2.gz XBOJTSKYBZZUIJ-LJQANCHMSA-N 2 1 324.472 2.905 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657453408 431760704 /nfs/dbraw/zinc/76/07/04/431760704.db2.gz XBOJTSKYBZZUIJ-LJQANCHMSA-N 2 1 324.472 2.905 20 0 DFADMP Fc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975880 431760967 /nfs/dbraw/zinc/76/09/67/431760967.db2.gz HDVWKRKPZAADAZ-HOTGVXAUSA-N 2 1 306.425 2.916 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000647976767 431761233 /nfs/dbraw/zinc/76/12/33/431761233.db2.gz TZMZOARAASKXLD-DLBZAZTESA-N 2 1 315.461 2.727 20 0 DFADMP Fc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977103 431762457 /nfs/dbraw/zinc/76/24/57/431762457.db2.gz XVDVSIRFKHEDRX-JKSUJKDBSA-N 2 1 306.425 2.916 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975268 431762613 /nfs/dbraw/zinc/76/26/13/431762613.db2.gz TYYQAXMLQZJDPP-DLBZAZTESA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978282 431762874 /nfs/dbraw/zinc/76/28/74/431762874.db2.gz PIBJBXGVHOKFAM-OKZBNKHCSA-N 2 1 323.525 2.591 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977753 431763327 /nfs/dbraw/zinc/76/33/27/431763327.db2.gz HBUHENBBHYYUSQ-DLBZAZTESA-N 2 1 318.461 2.786 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)co1 ZINC000647977775 431763374 /nfs/dbraw/zinc/76/33/74/431763374.db2.gz HMLKRPKHDQWCAD-UONOGXRCSA-N 2 1 316.405 2.541 20 0 DFADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657381782 431714944 /nfs/dbraw/zinc/71/49/44/431714944.db2.gz CDKBAFZBUNXRQE-FUHWJXTLSA-N 2 1 322.497 2.692 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657381782 431714951 /nfs/dbraw/zinc/71/49/51/431714951.db2.gz CDKBAFZBUNXRQE-FUHWJXTLSA-N 2 1 322.497 2.692 20 0 DFADMP C[NH+](C)CCC[N@H+](C)CCNc1nccc2ccc(F)cc21 ZINC000664248469 431715236 /nfs/dbraw/zinc/71/52/36/431715236.db2.gz XZWKWQQUVHIVPE-UHFFFAOYSA-N 2 1 304.413 2.669 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CCNc1nccc2ccc(F)cc21 ZINC000664248469 431715238 /nfs/dbraw/zinc/71/52/38/431715238.db2.gz XZWKWQQUVHIVPE-UHFFFAOYSA-N 2 1 304.413 2.669 20 0 DFADMP Fc1ccc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647878386 431715973 /nfs/dbraw/zinc/71/59/73/431715973.db2.gz AOIGBUXNKBJFEN-SFHVURJKSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1ccc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647878386 431715979 /nfs/dbraw/zinc/71/59/79/431715979.db2.gz AOIGBUXNKBJFEN-SFHVURJKSA-N 2 1 306.425 2.979 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn3c2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000657388699 431721094 /nfs/dbraw/zinc/72/10/94/431721094.db2.gz OSLZLRMGALVXCC-VQIMIIECSA-N 2 1 324.472 2.972 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn3c2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000657388699 431721097 /nfs/dbraw/zinc/72/10/97/431721097.db2.gz OSLZLRMGALVXCC-VQIMIIECSA-N 2 1 324.472 2.972 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccn(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000647907753 431722207 /nfs/dbraw/zinc/72/22/07/431722207.db2.gz PGNZIPWDNZXZMF-DOPJRALCSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000647907753 431722210 /nfs/dbraw/zinc/72/22/10/431722210.db2.gz PGNZIPWDNZXZMF-DOPJRALCSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000647907755 431722835 /nfs/dbraw/zinc/72/28/35/431722835.db2.gz PGNZIPWDNZXZMF-JEBQAFNWSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4cccc(F)c4)n3)C[C@@H]21 ZINC000647907755 431722839 /nfs/dbraw/zinc/72/28/39/431722839.db2.gz PGNZIPWDNZXZMF-JEBQAFNWSA-N 2 1 314.408 2.571 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1c(C)noc1C ZINC000647909389 431723483 /nfs/dbraw/zinc/72/34/83/431723483.db2.gz JKLMFTDMUSJZDZ-OAHLLOKOSA-N 2 1 309.454 2.567 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC2(CCC2)O1 ZINC000648074243 431807722 /nfs/dbraw/zinc/80/77/22/431807722.db2.gz GJBATJJYDNEHBE-INIZCTEOSA-N 2 1 318.461 2.770 20 0 DFADMP FC(F)(F)c1csc([C@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647989677 431767670 /nfs/dbraw/zinc/76/76/70/431767670.db2.gz WECXKRGNKJOSPP-MNOVXSKESA-N 2 1 319.396 2.951 20 0 DFADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647989677 431767675 /nfs/dbraw/zinc/76/76/75/431767675.db2.gz WECXKRGNKJOSPP-MNOVXSKESA-N 2 1 319.396 2.951 20 0 DFADMP CC(C)Cn1nccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000648002017 431771837 /nfs/dbraw/zinc/77/18/37/431771837.db2.gz WNPOZGFOQUPETN-UHFFFAOYSA-N 2 1 304.482 2.847 20 0 DFADMP C[NH+](C)CC1(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000185077564 282072926 /nfs/dbraw/zinc/07/29/26/282072926.db2.gz PGBISYYBBXPNOQ-QGZVFWFLSA-N 2 1 317.477 2.528 20 0 DFADMP Fc1ccccc1OCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414029 289090957 /nfs/dbraw/zinc/09/09/57/289090957.db2.gz JHAYLQMDSPJMNM-BFYDXBDKSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414029 289090960 /nfs/dbraw/zinc/09/09/60/289090960.db2.gz JHAYLQMDSPJMNM-BFYDXBDKSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414029 289090963 /nfs/dbraw/zinc/09/09/63/289090963.db2.gz JHAYLQMDSPJMNM-BFYDXBDKSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414029 289090967 /nfs/dbraw/zinc/09/09/67/289090967.db2.gz JHAYLQMDSPJMNM-BFYDXBDKSA-N 2 1 304.409 2.621 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH+](CC)C2)cc1 ZINC000412841982 289099978 /nfs/dbraw/zinc/09/99/78/289099978.db2.gz NRKJIQVTYPFYCQ-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC)C2)cc1 ZINC000412841982 289099979 /nfs/dbraw/zinc/09/99/79/289099979.db2.gz NRKJIQVTYPFYCQ-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000412841982 289099981 /nfs/dbraw/zinc/09/99/81/289099981.db2.gz NRKJIQVTYPFYCQ-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+]1CCCCCC1 ZINC000125280391 289262306 /nfs/dbraw/zinc/26/23/06/289262306.db2.gz SICQIBCDVWHQNC-IAGOWNOFSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc([S@](C)=O)cc1 ZINC000271564871 290031003 /nfs/dbraw/zinc/03/10/03/290031003.db2.gz UWHSYZQLWIHRMI-KYHSBEPHSA-N 2 1 308.491 2.803 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+]CCC(C)(C)C)cc2)CC1 ZINC000438088474 297079166 /nfs/dbraw/zinc/07/91/66/297079166.db2.gz KAVRSWLNMFJXSQ-UHFFFAOYSA-N 2 1 303.494 2.960 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1O ZINC000375430161 295121971 /nfs/dbraw/zinc/12/19/71/295121971.db2.gz WOADYAKQRJRGKS-UKRRQHHQSA-N 2 1 315.417 2.523 20 0 DFADMP COc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000154380693 295299073 /nfs/dbraw/zinc/29/90/73/295299073.db2.gz FZKXQINBEQWVEE-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP COc1cccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000154380693 295299076 /nfs/dbraw/zinc/29/90/76/295299076.db2.gz FZKXQINBEQWVEE-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP CC[N@H+]1CC[C@@H](NCc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155274673 295315880 /nfs/dbraw/zinc/31/58/80/295315880.db2.gz DIBMUMJBUSUWHS-CRAIPNDOSA-N 2 1 315.461 2.633 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155274673 295315884 /nfs/dbraw/zinc/31/58/84/295315884.db2.gz DIBMUMJBUSUWHS-CRAIPNDOSA-N 2 1 315.461 2.633 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000157927149 295355584 /nfs/dbraw/zinc/35/55/84/295355584.db2.gz GNMKTJXUXSEAOD-OAHLLOKOSA-N 2 1 317.468 2.818 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000159219485 295373786 /nfs/dbraw/zinc/37/37/86/295373786.db2.gz IWYFNOBJHWVAJH-UHFFFAOYSA-N 2 1 318.396 2.600 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C)c(F)c1 ZINC000159219485 295373787 /nfs/dbraw/zinc/37/37/87/295373787.db2.gz IWYFNOBJHWVAJH-UHFFFAOYSA-N 2 1 318.396 2.600 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000159227110 295374086 /nfs/dbraw/zinc/37/40/86/295374086.db2.gz YSKGOBHORPZWPJ-NEWSRXKRSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000159227110 295374087 /nfs/dbraw/zinc/37/40/87/295374087.db2.gz YSKGOBHORPZWPJ-NEWSRXKRSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000159227110 295374090 /nfs/dbraw/zinc/37/40/90/295374090.db2.gz YSKGOBHORPZWPJ-NEWSRXKRSA-N 2 1 307.526 2.961 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484615 297128640 /nfs/dbraw/zinc/12/86/40/297128640.db2.gz FYAHDTZYXZFHEA-FRQCXROJSA-N 2 1 322.493 2.915 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484615 297128642 /nfs/dbraw/zinc/12/86/42/297128642.db2.gz FYAHDTZYXZFHEA-FRQCXROJSA-N 2 1 322.493 2.915 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484615 297128643 /nfs/dbraw/zinc/12/86/43/297128643.db2.gz FYAHDTZYXZFHEA-FRQCXROJSA-N 2 1 322.493 2.915 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484617 297128687 /nfs/dbraw/zinc/12/86/87/297128687.db2.gz FYAHDTZYXZFHEA-TXPKVOOTSA-N 2 1 322.493 2.915 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484617 297128688 /nfs/dbraw/zinc/12/86/88/297128688.db2.gz FYAHDTZYXZFHEA-TXPKVOOTSA-N 2 1 322.493 2.915 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439484617 297128689 /nfs/dbraw/zinc/12/86/89/297128689.db2.gz FYAHDTZYXZFHEA-TXPKVOOTSA-N 2 1 322.493 2.915 20 0 DFADMP CC[C@@H]1C[NH+](CC(C)C[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439486707 297128748 /nfs/dbraw/zinc/12/87/48/297128748.db2.gz MZOHQGJHPARPMA-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439831013 297139556 /nfs/dbraw/zinc/13/95/56/297139556.db2.gz BKTRQRJBHQVFQI-JZXOWHBKSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439831013 297139558 /nfs/dbraw/zinc/13/95/58/297139558.db2.gz BKTRQRJBHQVFQI-JZXOWHBKSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439831013 297139560 /nfs/dbraw/zinc/13/95/60/297139560.db2.gz BKTRQRJBHQVFQI-JZXOWHBKSA-N 2 1 321.509 2.773 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440256785 297148878 /nfs/dbraw/zinc/14/88/78/297148878.db2.gz CXQBIKJQWSCHBY-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440624991 297159472 /nfs/dbraw/zinc/15/94/72/297159472.db2.gz JYRYFTVCRJKOLF-LBPRGKRZSA-N 2 1 318.387 2.886 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440624991 297159473 /nfs/dbraw/zinc/15/94/73/297159473.db2.gz JYRYFTVCRJKOLF-LBPRGKRZSA-N 2 1 318.387 2.886 20 0 DFADMP COC(=O)CC1(C[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000440690317 297161799 /nfs/dbraw/zinc/16/17/99/297161799.db2.gz HSJUWXWGXYYDQG-QGZVFWFLSA-N 2 1 322.493 2.774 20 0 DFADMP COC(=O)CC1(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000440690317 297161801 /nfs/dbraw/zinc/16/18/01/297161801.db2.gz HSJUWXWGXYYDQG-QGZVFWFLSA-N 2 1 322.493 2.774 20 0 DFADMP COC(=O)CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000440703794 297162599 /nfs/dbraw/zinc/16/25/99/297162599.db2.gz IUIZYGFJWRULTN-KRWDZBQOSA-N 2 1 322.493 2.918 20 0 DFADMP COC(=O)CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000440703794 297162600 /nfs/dbraw/zinc/16/26/00/297162600.db2.gz IUIZYGFJWRULTN-KRWDZBQOSA-N 2 1 322.493 2.918 20 0 DFADMP C[C@H](CCc1ccccc1)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441339013 297179973 /nfs/dbraw/zinc/17/99/73/297179973.db2.gz GXFCFTQCTYKXQN-GOSISDBHSA-N 2 1 317.521 2.871 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442753953 297204104 /nfs/dbraw/zinc/20/41/04/297204104.db2.gz AIULSIQDSOZKHT-HPFXQQBRSA-N 2 1 317.477 2.702 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442753953 297204106 /nfs/dbraw/zinc/20/41/06/297204106.db2.gz AIULSIQDSOZKHT-HPFXQQBRSA-N 2 1 317.477 2.702 20 0 DFADMP CC[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000442751642 297204111 /nfs/dbraw/zinc/20/41/11/297204111.db2.gz CSWBHISURHVUPH-IOASZLSFSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000442751642 297204114 /nfs/dbraw/zinc/20/41/14/297204114.db2.gz CSWBHISURHVUPH-IOASZLSFSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)([NH3+])c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000442753300 297204132 /nfs/dbraw/zinc/20/41/32/297204132.db2.gz UXABPHOKFRKIKM-UHFFFAOYSA-N 2 1 300.406 2.916 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442868239 297208847 /nfs/dbraw/zinc/20/88/47/297208847.db2.gz NJBLSFFJORPTCV-ROUUACIJSA-N 2 1 307.526 2.963 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)[C@H](C)C1 ZINC000442886661 297209742 /nfs/dbraw/zinc/20/97/42/297209742.db2.gz TUKDYYSQFAFZTJ-PWSUYJOCSA-N 2 1 304.360 2.591 20 0 DFADMP CC(C)c1nc([C@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000442889058 297209994 /nfs/dbraw/zinc/20/99/94/297209994.db2.gz IXNFNZGYCYMLDB-AWEZNQCLSA-N 2 1 324.538 2.943 20 0 DFADMP CC(C)c1nc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000442889058 297209995 /nfs/dbraw/zinc/20/99/95/297209995.db2.gz IXNFNZGYCYMLDB-AWEZNQCLSA-N 2 1 324.538 2.943 20 0 DFADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056086 297213623 /nfs/dbraw/zinc/21/36/23/297213623.db2.gz CABZRZQBGXDROK-NWDGAFQWSA-N 2 1 306.435 2.920 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060703 297214345 /nfs/dbraw/zinc/21/43/45/297214345.db2.gz PRKSPCJOFSFSLG-OLZOCXBDSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060703 297214346 /nfs/dbraw/zinc/21/43/46/297214346.db2.gz PRKSPCJOFSFSLG-OLZOCXBDSA-N 2 1 309.841 2.728 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443097777 297216013 /nfs/dbraw/zinc/21/60/13/297216013.db2.gz MIVHMBPAKFIMPT-GOSISDBHSA-N 2 1 321.509 2.773 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(OC)c2)C[C@@H]1C ZINC000443623708 297223077 /nfs/dbraw/zinc/22/30/77/297223077.db2.gz QRWZFTZUGJRAPY-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(OC)c2)C[C@@H]1C ZINC000443623708 297223078 /nfs/dbraw/zinc/22/30/78/297223078.db2.gz QRWZFTZUGJRAPY-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(OC)c2)C[C@@H]1C ZINC000443623708 297223080 /nfs/dbraw/zinc/22/30/80/297223080.db2.gz QRWZFTZUGJRAPY-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CN(CC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000444270234 297234930 /nfs/dbraw/zinc/23/49/30/297234930.db2.gz NVDKQRLOEPNMOQ-GOSISDBHSA-N 2 1 301.478 2.787 20 0 DFADMP CN(CC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000444270234 297234931 /nfs/dbraw/zinc/23/49/31/297234931.db2.gz NVDKQRLOEPNMOQ-GOSISDBHSA-N 2 1 301.478 2.787 20 0 DFADMP CN(CC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000444270234 297234932 /nfs/dbraw/zinc/23/49/32/297234932.db2.gz NVDKQRLOEPNMOQ-GOSISDBHSA-N 2 1 301.478 2.787 20 0 DFADMP CCc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000445805326 297267114 /nfs/dbraw/zinc/26/71/14/297267114.db2.gz JKIBWOGBBFIAHW-QGZVFWFLSA-N 2 1 315.505 2.849 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccc(F)cc1)CC1([NH+](C)C)CCC1 ZINC000445843684 297268666 /nfs/dbraw/zinc/26/86/66/297268666.db2.gz SXZHQZQPXWDKPM-UHFFFAOYSA-N 2 1 307.457 2.674 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000134068623 297284211 /nfs/dbraw/zinc/28/42/11/297284211.db2.gz JRHBUOZBHDNCLJ-NEWSRXKRSA-N 2 1 301.478 2.896 20 0 DFADMP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[NH+](CC)CC ZINC000448444911 297339644 /nfs/dbraw/zinc/33/96/44/297339644.db2.gz RJDDONNMLPKLTE-SJORKVTESA-N 2 1 311.514 2.591 20 0 DFADMP Cc1cccc(CC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000449024839 297393309 /nfs/dbraw/zinc/39/33/09/297393309.db2.gz FHOAZFBICFYIFN-KRWDZBQOSA-N 2 1 304.478 2.562 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449029092 297393850 /nfs/dbraw/zinc/39/38/50/297393850.db2.gz PRZFYEKUBJWDHO-AWEZNQCLSA-N 2 1 302.418 2.710 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449029092 297393852 /nfs/dbraw/zinc/39/38/52/297393852.db2.gz PRZFYEKUBJWDHO-AWEZNQCLSA-N 2 1 302.418 2.710 20 0 DFADMP COc1cc(C)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000449047380 297397279 /nfs/dbraw/zinc/39/72/79/297397279.db2.gz NIWZFKRVZWDHMY-JENIJYKNSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000449047380 297397281 /nfs/dbraw/zinc/39/72/81/297397281.db2.gz NIWZFKRVZWDHMY-JENIJYKNSA-N 2 1 318.461 2.687 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449147648 297413295 /nfs/dbraw/zinc/41/32/95/297413295.db2.gz HPFMKQJLOWYFSK-ZIAGYGMSSA-N 2 1 314.433 2.746 20 0 DFADMP CCNC(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449253944 297429831 /nfs/dbraw/zinc/42/98/31/297429831.db2.gz VDZJHWKLOKMRJT-AWEZNQCLSA-N 2 1 311.514 2.780 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453059012 298058681 /nfs/dbraw/zinc/05/86/81/298058681.db2.gz PSJPWNFHACWTFJ-AABGKKOBSA-N 3 1 324.472 2.916 20 0 DFADMP c1cn(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453059012 298058682 /nfs/dbraw/zinc/05/86/82/298058682.db2.gz PSJPWNFHACWTFJ-AABGKKOBSA-N 3 1 324.472 2.916 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C(F)F ZINC000453123048 298065085 /nfs/dbraw/zinc/06/50/85/298065085.db2.gz FPVOWEALZRWCFT-WCXIOVBPSA-N 2 1 324.415 2.645 20 0 DFADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453216192 298071945 /nfs/dbraw/zinc/07/19/45/298071945.db2.gz GJCNVFKABDSKBU-QRVBRYPASA-N 2 1 301.478 2.581 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)[C@@H](C)C1 ZINC000453223185 298073106 /nfs/dbraw/zinc/07/31/06/298073106.db2.gz LONLVQWUYVPHCM-IRXDYDNUSA-N 2 1 312.498 2.672 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ncccc2C)[C@@H](C)C1 ZINC000453306786 298082026 /nfs/dbraw/zinc/08/20/26/298082026.db2.gz JFTKTEZJBNBLOH-HKUYNNGSSA-N 2 1 319.493 2.659 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ncccc2C)[C@H](C)C1 ZINC000453306800 298082273 /nfs/dbraw/zinc/08/22/73/298082273.db2.gz JFTKTEZJBNBLOH-MJGOQNOKSA-N 2 1 319.493 2.659 20 0 DFADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)COC1 ZINC000453336545 298084451 /nfs/dbraw/zinc/08/44/51/298084451.db2.gz AHAQVQRQKIPRGJ-SJLPKXTDSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@@H]2CCC[C@H]21 ZINC000453339409 298084653 /nfs/dbraw/zinc/08/46/53/298084653.db2.gz LWYQMTUDPTYEGO-SPOLIRPYSA-N 2 1 315.461 2.764 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346521 298086123 /nfs/dbraw/zinc/08/61/23/298086123.db2.gz IGRWUSVFGBPREX-CKEIUWERSA-N 2 1 316.424 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346521 298086125 /nfs/dbraw/zinc/08/61/25/298086125.db2.gz IGRWUSVFGBPREX-CKEIUWERSA-N 2 1 316.424 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453364987 298087253 /nfs/dbraw/zinc/08/72/53/298087253.db2.gz CHFLDYRDHPIMHC-QXCFHYIPSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000453366993 298087286 /nfs/dbraw/zinc/08/72/86/298087286.db2.gz WOFRMKCVDUXFBF-WMZOPIPTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453397968 298090061 /nfs/dbraw/zinc/09/00/61/298090061.db2.gz KFJZZSTXUUTTNO-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000453419326 298092894 /nfs/dbraw/zinc/09/28/94/298092894.db2.gz YTSAPUZUSMUBDX-HNNXBMFYSA-N 2 1 317.477 2.913 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)cn2)[C@H](C)C1 ZINC000453439151 298095853 /nfs/dbraw/zinc/09/58/53/298095853.db2.gz VWAKJFRWCRNQEN-IEBWSBKVSA-N 2 1 319.493 2.659 20 0 DFADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H]2CCCCN12 ZINC000453444132 298096771 /nfs/dbraw/zinc/09/67/71/298096771.db2.gz OBCLLZRIXAMWIX-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000455489588 298369105 /nfs/dbraw/zinc/36/91/05/298369105.db2.gz VRPDLMKKEDPXNE-HUUCEWRRSA-N 2 1 302.422 2.755 20 0 DFADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000456272756 298484738 /nfs/dbraw/zinc/48/47/38/298484738.db2.gz LJXNPBDNZFKNSR-KRWDZBQOSA-N 2 1 324.428 2.949 20 0 DFADMP CCC[N@H+](CC)CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497008081 300146457 /nfs/dbraw/zinc/14/64/57/300146457.db2.gz NFAOGASASWWZKU-CQSZACIVSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497008081 300146458 /nfs/dbraw/zinc/14/64/58/300146458.db2.gz NFAOGASASWWZKU-CQSZACIVSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497090947 300159690 /nfs/dbraw/zinc/15/96/90/300159690.db2.gz QZAZOZABNAGRQG-KRWDZBQOSA-N 2 1 319.449 2.571 20 0 DFADMP C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301054 300255546 /nfs/dbraw/zinc/25/55/46/300255546.db2.gz CWZANTKCSRPXML-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP Cc1nc2ccc(NC(=O)[C@@H]3CCc4cnc(C)n4C3)cc2[nH]1 ZINC000515303799 300299295 /nfs/dbraw/zinc/29/92/95/300299295.db2.gz AIXVYXMDEYYGCQ-GFCCVEGCSA-N 2 1 309.373 2.577 20 0 DFADMP COCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000515365311 300303301 /nfs/dbraw/zinc/30/33/01/300303301.db2.gz WIQFXGWDHOFNFC-NNZMDNLPSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]([NH2+]C1CC1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000515381459 300303858 /nfs/dbraw/zinc/30/38/58/300303858.db2.gz OFLSCEJJOOIQIZ-GFCCVEGCSA-N 2 1 322.478 2.598 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1C ZINC000516423626 300342302 /nfs/dbraw/zinc/34/23/02/300342302.db2.gz BBKUIQHZAWQKLN-GDBMZVCRSA-N 2 1 303.450 2.752 20 0 DFADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000516977904 300375221 /nfs/dbraw/zinc/37/52/21/300375221.db2.gz DHZZOAPXEKTCNX-ZACQAIPSSA-N 2 1 305.466 2.878 20 0 DFADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000516977904 300375223 /nfs/dbraw/zinc/37/52/23/300375223.db2.gz DHZZOAPXEKTCNX-ZACQAIPSSA-N 2 1 305.466 2.878 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)o1 ZINC000517271771 300391357 /nfs/dbraw/zinc/39/13/57/300391357.db2.gz UAYBQDVAJDKKPE-OAHLLOKOSA-N 2 1 317.389 2.544 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c(C)o1 ZINC000517271771 300391359 /nfs/dbraw/zinc/39/13/59/300391359.db2.gz UAYBQDVAJDKKPE-OAHLLOKOSA-N 2 1 317.389 2.544 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccccc2)c2cccs2)CC1 ZINC000518248595 300420751 /nfs/dbraw/zinc/42/07/51/300420751.db2.gz RXWONLZDAJUHTJ-KRWDZBQOSA-N 2 1 315.486 2.826 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000530176567 301025625 /nfs/dbraw/zinc/02/56/25/301025625.db2.gz CBLNAJXYHCKADV-QRQLOZEOSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178598 301026246 /nfs/dbraw/zinc/02/62/46/301026246.db2.gz OSAPHWANVZJWFJ-SWLSCSKDSA-N 2 1 321.852 2.931 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1C ZINC000530177952 301026539 /nfs/dbraw/zinc/02/65/39/301026539.db2.gz LWFDGEVLVOLPHF-WMLDXEAASA-N 2 1 315.461 2.895 20 0 DFADMP C[C@@H]1[C@@H](N[C@H]2CC[NH2+]C23CCC3)CCC[N@H+]1Cc1ccccc1 ZINC000530216015 301029697 /nfs/dbraw/zinc/02/96/97/301029697.db2.gz LSFJFBSFSYNOBF-NEWSRXKRSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530407549 301046314 /nfs/dbraw/zinc/04/63/14/301046314.db2.gz ZICKXEJMLAYZKH-LBPRGKRZSA-N 2 1 320.824 2.623 20 0 DFADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531785592 301110314 /nfs/dbraw/zinc/11/03/14/301110314.db2.gz VJLOFVYLALZMGH-BZUAXINKSA-N 2 1 307.507 2.815 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000531945247 301120447 /nfs/dbraw/zinc/12/04/47/301120447.db2.gz PBAUKEZNBSNDPY-YPMHNXCESA-N 2 1 314.376 2.726 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000531980501 301123118 /nfs/dbraw/zinc/12/31/18/301123118.db2.gz IWBRIHHGLAWECO-ZOBUZTSGSA-N 2 1 303.450 2.784 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000531980501 301123121 /nfs/dbraw/zinc/12/31/21/301123121.db2.gz IWBRIHHGLAWECO-ZOBUZTSGSA-N 2 1 303.450 2.784 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000531984235 301123160 /nfs/dbraw/zinc/12/31/60/301123160.db2.gz POAXBUUFVAYHEZ-ZHALLVOQSA-N 2 1 307.526 2.961 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)o2)[C@H](C)C1 ZINC000532195814 301135812 /nfs/dbraw/zinc/13/58/12/301135812.db2.gz JCZNFLLDPLOLFZ-QAPCUYQASA-N 2 1 308.466 2.857 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000532192680 301135846 /nfs/dbraw/zinc/13/58/46/301135846.db2.gz ZRMLMWCDOQWQNJ-YOEHRIQHSA-N 2 1 303.450 2.855 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000532192680 301135848 /nfs/dbraw/zinc/13/58/48/301135848.db2.gz ZRMLMWCDOQWQNJ-YOEHRIQHSA-N 2 1 303.450 2.855 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000532197342 301136062 /nfs/dbraw/zinc/13/60/62/301136062.db2.gz HEHRLEAGXOGMCP-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506874 301157227 /nfs/dbraw/zinc/15/72/27/301157227.db2.gz XPILRHKBRGNMRD-SJORKVTESA-N 2 1 317.477 2.516 20 0 DFADMP COc1ccc2c(c1)[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)CCCO2 ZINC000532530225 301158300 /nfs/dbraw/zinc/15/83/00/301158300.db2.gz IEUMUOIKVFPJSP-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc2c(c1)[C@@H](NCC[N@H+]1CC[C@@H](C)C1)CCCO2 ZINC000532530225 301158303 /nfs/dbraw/zinc/15/83/03/301158303.db2.gz IEUMUOIKVFPJSP-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 ZINC000532641634 301165534 /nfs/dbraw/zinc/16/55/34/301165534.db2.gz UDWLHIVJHNDBKX-FXAWDEMLSA-N 2 1 324.472 2.721 20 0 DFADMP Cc1ncc2c(n1)CC[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000532917869 301177299 /nfs/dbraw/zinc/17/72/99/301177299.db2.gz AIYUZTZQGUEPBL-UHFFFAOYSA-N 2 1 305.385 2.529 20 0 DFADMP Cc1ncc2c(n1)CC[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000532917869 301177301 /nfs/dbraw/zinc/17/73/01/301177301.db2.gz AIYUZTZQGUEPBL-UHFFFAOYSA-N 2 1 305.385 2.529 20 0 DFADMP Cn1ccnc1[C@@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000534580470 301234528 /nfs/dbraw/zinc/23/45/28/301234528.db2.gz ASQKXWQBTQTVMS-OAHLLOKOSA-N 2 1 323.400 2.502 20 0 DFADMP CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)s1 ZINC000539898598 301353142 /nfs/dbraw/zinc/35/31/42/301353142.db2.gz YBZSPUWJVJZRIC-KBRIMQKVSA-N 2 1 308.491 2.994 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545932195 301482967 /nfs/dbraw/zinc/48/29/67/301482967.db2.gz SPNVQESRODSRIH-CQSZACIVSA-N 2 1 319.371 2.607 20 0 DFADMP C[N@H+]1CCC[C@H](CNCc2cnc(-c3ccncc3)s2)C1 ZINC000562871898 302009765 /nfs/dbraw/zinc/00/97/65/302009765.db2.gz UADHOOHTFOMJJP-CYBMUJFWSA-N 2 1 302.447 2.637 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000562871898 302009770 /nfs/dbraw/zinc/00/97/70/302009770.db2.gz UADHOOHTFOMJJP-CYBMUJFWSA-N 2 1 302.447 2.637 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4cnccn4)CC[C@H]32)cc1 ZINC000563090956 302036431 /nfs/dbraw/zinc/03/64/31/302036431.db2.gz IIICJVUYZSVDDE-AZUAARDMSA-N 2 1 322.456 2.963 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1)C1CC1 ZINC000563961199 302111828 /nfs/dbraw/zinc/11/18/28/302111828.db2.gz ZBUNWFDHNQWQHT-ZIAGYGMSSA-N 2 1 303.450 2.527 20 0 DFADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2Nc1cc[nH+]cc1Br ZINC000564310870 302128136 /nfs/dbraw/zinc/12/81/36/302128136.db2.gz YKCAHFYPPCMWRE-QLHKPRNWSA-N 2 1 310.239 2.584 20 0 DFADMP COCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564328090 302128980 /nfs/dbraw/zinc/12/89/80/302128980.db2.gz LDDJQSLMMQUONH-QGZVFWFLSA-N 2 1 300.446 2.952 20 0 DFADMP COCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564328090 302128982 /nfs/dbraw/zinc/12/89/82/302128982.db2.gz LDDJQSLMMQUONH-QGZVFWFLSA-N 2 1 300.446 2.952 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564846888 302163600 /nfs/dbraw/zinc/16/36/00/302163600.db2.gz UUOSPROQJAUFQH-RBUKOAKNSA-N 2 1 304.478 2.690 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564850279 302164117 /nfs/dbraw/zinc/16/41/17/302164117.db2.gz RUSAMNFJPDSPCM-RTBURBONSA-N 2 1 304.478 2.548 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941150 302175933 /nfs/dbraw/zinc/17/59/33/302175933.db2.gz ALTGAYDKZANBQW-QZTJIDSGSA-N 2 1 317.477 2.800 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)cc1 ZINC000564989558 302179820 /nfs/dbraw/zinc/17/98/20/302179820.db2.gz RBLDRGMAXLUOOM-ZHALLVOQSA-N 2 1 318.461 2.629 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C1CCC(c2ccc(F)cc2)CC1)C1CC1 ZINC000565299133 302216463 /nfs/dbraw/zinc/21/64/63/302216463.db2.gz GWTNVNWQNVRURT-KVWWFHCMSA-N 2 1 320.452 2.897 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CCC(c2ccc(F)cc2)CC1)C1CC1 ZINC000565299133 302216465 /nfs/dbraw/zinc/21/64/65/302216465.db2.gz GWTNVNWQNVRURT-KVWWFHCMSA-N 2 1 320.452 2.897 20 0 DFADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000565653179 302235061 /nfs/dbraw/zinc/23/50/61/302235061.db2.gz GMHAPWBEFYXZFL-GDBMZVCRSA-N 2 1 308.491 2.520 20 0 DFADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000565653179 302235062 /nfs/dbraw/zinc/23/50/62/302235062.db2.gz GMHAPWBEFYXZFL-GDBMZVCRSA-N 2 1 308.491 2.520 20 0 DFADMP C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566090698 302258666 /nfs/dbraw/zinc/25/86/66/302258666.db2.gz JACWNTDFMMIARW-PWIZWCRZSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566090698 302258668 /nfs/dbraw/zinc/25/86/68/302258668.db2.gz JACWNTDFMMIARW-PWIZWCRZSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H](CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)n1ccnc1 ZINC000566309432 302278550 /nfs/dbraw/zinc/27/85/50/302278550.db2.gz ZOTGOXIETSLERK-RDJZCZTQSA-N 2 1 324.428 2.845 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351697 302281616 /nfs/dbraw/zinc/28/16/16/302281616.db2.gz YAMAHHAKOHMJNS-BEFAXECRSA-N 2 1 301.478 2.637 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351697 302281619 /nfs/dbraw/zinc/28/16/19/302281619.db2.gz YAMAHHAKOHMJNS-BEFAXECRSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351697 302281622 /nfs/dbraw/zinc/28/16/22/302281622.db2.gz YAMAHHAKOHMJNS-BEFAXECRSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351697 302281623 /nfs/dbraw/zinc/28/16/23/302281623.db2.gz YAMAHHAKOHMJNS-BEFAXECRSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351697 302281626 /nfs/dbraw/zinc/28/16/26/302281626.db2.gz YAMAHHAKOHMJNS-BEFAXECRSA-N 3 1 301.478 2.637 20 0 DFADMP C[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)CC2CCCCCC2)CC1 ZINC000566750702 302309851 /nfs/dbraw/zinc/30/98/51/302309851.db2.gz XMHZAVZHPZXBLC-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CC[C@@H](C)[N@H+](CCCc1c[nH+]cn1C)CC(=O)OC(C)(C)C ZINC000567402281 302356505 /nfs/dbraw/zinc/35/65/05/302356505.db2.gz OVLQGYJKPJXJKJ-CQSZACIVSA-N 2 1 309.454 2.795 20 0 DFADMP CC[C@@H](C)[N@@H+](CCCc1c[nH+]cn1C)CC(=O)OC(C)(C)C ZINC000567402281 302356507 /nfs/dbraw/zinc/35/65/07/302356507.db2.gz OVLQGYJKPJXJKJ-CQSZACIVSA-N 2 1 309.454 2.795 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000567642520 302375875 /nfs/dbraw/zinc/37/58/75/302375875.db2.gz OHGBHOHOUDIXHW-XYPHTWIQSA-N 2 1 309.885 2.920 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c2ccccc21 ZINC000567648428 302376681 /nfs/dbraw/zinc/37/66/81/302376681.db2.gz QGCHHVPNEQLIEL-YESZJQIVSA-N 2 1 301.434 2.734 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000569453536 302519247 /nfs/dbraw/zinc/51/92/47/302519247.db2.gz XKLHFYFRIMLSNA-XQRVVYSFSA-N 2 1 303.450 2.956 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000571890421 302637182 /nfs/dbraw/zinc/63/71/82/302637182.db2.gz FLDWXIPCWXZAGY-CQSZACIVSA-N 2 1 321.371 2.578 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000571994641 302639283 /nfs/dbraw/zinc/63/92/83/302639283.db2.gz WFERUIACHJVKGM-UHFFFAOYSA-N 2 1 318.396 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CSc2ccccc2O1)c1c[nH+]ccc1N ZINC000573564771 302710453 /nfs/dbraw/zinc/71/04/53/302710453.db2.gz OZOIFERPZVDPGE-VXGBXAGGSA-N 2 1 301.415 2.698 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000573816411 302725603 /nfs/dbraw/zinc/72/56/03/302725603.db2.gz DMKJIDNATPBNMI-RTBURBONSA-N 2 1 302.462 2.853 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccc(Br)cc1 ZINC000357083868 303383259 /nfs/dbraw/zinc/38/32/59/303383259.db2.gz QOFQTBJVUMRBOT-CQSZACIVSA-N 2 1 313.239 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178666675 315992408 /nfs/dbraw/zinc/99/24/08/315992408.db2.gz RAKNHVMCWDZNNT-CYBMUJFWSA-N 2 1 300.406 2.576 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)C2CC2)C1 ZINC000183248418 316134974 /nfs/dbraw/zinc/13/49/74/316134974.db2.gz SNLWFDNAXCSGLF-DOTOQJQBSA-N 2 1 304.482 2.973 20 0 DFADMP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692533 316189814 /nfs/dbraw/zinc/18/98/14/316189814.db2.gz IOPNFCXSSKFLMO-OLZOCXBDSA-N 2 1 308.388 2.808 20 0 DFADMP CC(C)N(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185746281 316191724 /nfs/dbraw/zinc/19/17/24/316191724.db2.gz BPOAHEUQNMYAKV-SJORKVTESA-N 2 1 323.525 2.874 20 0 DFADMP CC(C)N(C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185746281 316191729 /nfs/dbraw/zinc/19/17/29/316191729.db2.gz BPOAHEUQNMYAKV-SJORKVTESA-N 2 1 323.525 2.874 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000314581871 316240565 /nfs/dbraw/zinc/24/05/65/316240565.db2.gz NZBWVMGGABXNAN-RCCFBDPRSA-N 2 1 305.466 2.758 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000314581871 316240567 /nfs/dbraw/zinc/24/05/67/316240567.db2.gz NZBWVMGGABXNAN-RCCFBDPRSA-N 2 1 305.466 2.758 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC[NH3+])O[C@H](C)C2 ZINC000316972032 316246873 /nfs/dbraw/zinc/24/68/73/316246873.db2.gz IGIYWLJCLKVGGL-CJNGLKHVSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCCC[C@H]1CC[NH3+])O[C@H](C)C2 ZINC000316972032 316246875 /nfs/dbraw/zinc/24/68/75/316246875.db2.gz IGIYWLJCLKVGGL-CJNGLKHVSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1)O[C@@H](C)C2 ZINC000317068387 316247117 /nfs/dbraw/zinc/24/71/17/316247117.db2.gz ZJTOESVPZZCNPJ-KBPBESRZSA-N 2 1 304.434 2.579 20 0 DFADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414799402 316662807 /nfs/dbraw/zinc/66/28/07/316662807.db2.gz DNPQETJBPLJXSA-LKFCYVNXSA-N 2 1 315.230 2.846 20 0 DFADMP COc1cc2c(c(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c1)O[C@H](C)C2 ZINC000449556767 317042999 /nfs/dbraw/zinc/04/29/99/317042999.db2.gz OJJXTXBABAIMHK-FCLXEUQJSA-N 2 1 316.445 2.733 20 0 DFADMP CCc1cc(N[C@H](C[NH+]2CCOCC2)c2ccccc2)cc[nH+]1 ZINC000450232332 317073352 /nfs/dbraw/zinc/07/33/52/317073352.db2.gz WCAFMYMJOXUVPW-LJQANCHMSA-N 2 1 311.429 2.551 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450392686 317088459 /nfs/dbraw/zinc/08/84/59/317088459.db2.gz OVVXJVQHGYSPAU-JKSUJKDBSA-N 2 1 315.452 2.524 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCc3ccccc3CC2)CCOCC1 ZINC000453125416 317163353 /nfs/dbraw/zinc/16/33/53/317163353.db2.gz RIMPTONGZSGXKB-UHFFFAOYSA-N 2 1 302.462 2.634 20 0 DFADMP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1Cl ZINC000453292276 317176750 /nfs/dbraw/zinc/17/67/50/317176750.db2.gz NIWJSRUCJWWECU-CFVMTHIKSA-N 2 1 309.841 2.706 20 0 DFADMP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000453394839 317183316 /nfs/dbraw/zinc/18/33/16/317183316.db2.gz HJGVBZYSJOJSLH-IEBWSBKVSA-N 2 1 324.472 2.828 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000471000729 317332667 /nfs/dbraw/zinc/33/26/67/317332667.db2.gz ITOFRRGFWQDWFV-OJAHFUOMSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@H]1C[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000471000729 317332669 /nfs/dbraw/zinc/33/26/69/317332669.db2.gz ITOFRRGFWQDWFV-OJAHFUOMSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@H]1C[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000471000729 317332674 /nfs/dbraw/zinc/33/26/74/317332674.db2.gz ITOFRRGFWQDWFV-OJAHFUOMSA-N 2 1 314.473 2.865 20 0 DFADMP CC(C)C1CC([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000488421503 317391570 /nfs/dbraw/zinc/39/15/70/317391570.db2.gz XKJTYKHMQZJVHE-UHFFFAOYSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000573327794 318016601 /nfs/dbraw/zinc/01/66/01/318016601.db2.gz VLXWUERLHFAHQG-HZPDHXFCSA-N 2 1 309.498 2.617 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc(OC)c1OC ZINC000574563073 318024513 /nfs/dbraw/zinc/02/45/13/318024513.db2.gz NZKVTQNQSSOEGC-ZDUSSCGKSA-N 2 1 310.438 2.751 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)s2)cn1 ZINC000574916683 318050669 /nfs/dbraw/zinc/05/06/69/318050669.db2.gz BBEJWRZPHOBVMR-QGZVFWFLSA-N 2 1 316.474 2.724 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000575398210 318075966 /nfs/dbraw/zinc/07/59/66/318075966.db2.gz APZMSZLZHSIRBW-MSOLQXFVSA-N 2 1 317.477 2.847 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000575741947 318079963 /nfs/dbraw/zinc/07/99/63/318079963.db2.gz YPKSFFXZFSBDBO-CQSZACIVSA-N 2 1 319.424 2.537 20 0 DFADMP C[C@H](O)C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000576114163 318104791 /nfs/dbraw/zinc/10/47/91/318104791.db2.gz OJSCSOMOAGRLQX-HNNXBMFYSA-N 2 1 302.462 2.848 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)c2C1 ZINC000576163557 318108007 /nfs/dbraw/zinc/10/80/07/318108007.db2.gz UTRKHRQITZQFFX-BEFAXECRSA-N 2 1 313.445 2.739 20 0 DFADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000576209803 318110658 /nfs/dbraw/zinc/11/06/58/318110658.db2.gz VJUYSDNMNXWALT-CVEARBPZSA-N 2 1 321.490 2.739 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000576220041 318111540 /nfs/dbraw/zinc/11/15/40/318111540.db2.gz AZEXYIDZIDJABS-MSOLQXFVSA-N 2 1 304.478 2.548 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000576457982 318127502 /nfs/dbraw/zinc/12/75/02/318127502.db2.gz AOTBRXWZSSCQPR-KGLIPLIRSA-N 2 1 310.825 2.861 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000576726019 318146351 /nfs/dbraw/zinc/14/63/51/318146351.db2.gz ZQAOBCHFFPNTOU-GOEBONIOSA-N 2 1 303.450 2.698 20 0 DFADMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccsc1 ZINC000576816262 318151976 /nfs/dbraw/zinc/15/19/76/318151976.db2.gz TXGBVWZWTKYDRA-CYBMUJFWSA-N 2 1 305.451 2.574 20 0 DFADMP Fc1ccc([C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ncc[nH]2)cc1 ZINC000577214723 318178726 /nfs/dbraw/zinc/17/87/26/318178726.db2.gz GZJBHFUAEGRRPH-BBWFWOEESA-N 2 1 314.408 2.616 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCc2nc(C)ncc2C1 ZINC000577692712 318209701 /nfs/dbraw/zinc/20/97/01/318209701.db2.gz JJURZRVZEUMSFX-UHFFFAOYSA-N 2 1 319.412 2.837 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCc2nc(C)ncc2C1 ZINC000577692712 318209703 /nfs/dbraw/zinc/20/97/03/318209703.db2.gz JJURZRVZEUMSFX-UHFFFAOYSA-N 2 1 319.412 2.837 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000578006902 318231546 /nfs/dbraw/zinc/23/15/46/318231546.db2.gz WZVGZBFWTMMIDB-BHIYHBOVSA-N 2 1 302.462 2.615 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000578006902 318231548 /nfs/dbraw/zinc/23/15/48/318231548.db2.gz WZVGZBFWTMMIDB-BHIYHBOVSA-N 2 1 302.462 2.615 20 0 DFADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000578245305 318248599 /nfs/dbraw/zinc/24/85/99/318248599.db2.gz KGZSKWMFADBHDU-INIZCTEOSA-N 2 1 307.825 2.983 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263973 318249020 /nfs/dbraw/zinc/24/90/20/318249020.db2.gz CABNNNNKYBSXJS-CJNGLKHVSA-N 2 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263973 318249022 /nfs/dbraw/zinc/24/90/22/318249022.db2.gz CABNNNNKYBSXJS-CJNGLKHVSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263973 318249025 /nfs/dbraw/zinc/24/90/25/318249025.db2.gz CABNNNNKYBSXJS-CJNGLKHVSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263973 318249028 /nfs/dbraw/zinc/24/90/28/318249028.db2.gz CABNNNNKYBSXJS-CJNGLKHVSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263973 318249029 /nfs/dbraw/zinc/24/90/29/318249029.db2.gz CABNNNNKYBSXJS-CJNGLKHVSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000578783795 318285187 /nfs/dbraw/zinc/28/51/87/318285187.db2.gz MIOGMWMLBOKUHG-CRAIPNDOSA-N 2 1 315.461 2.624 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000578783795 318285188 /nfs/dbraw/zinc/28/51/88/318285188.db2.gz MIOGMWMLBOKUHG-CRAIPNDOSA-N 2 1 315.461 2.624 20 0 DFADMP COCCN(C)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000579021905 318302519 /nfs/dbraw/zinc/30/25/19/318302519.db2.gz KJFHDRDJKGGINH-RTBURBONSA-N 2 1 320.477 2.543 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)[C@@H](C)[C@H]2C)c2ccccn21 ZINC000579483314 318334325 /nfs/dbraw/zinc/33/43/25/318334325.db2.gz LTIQFKSLRULEDO-LSDHHAIUSA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)[C@@H](C)[C@H]2C)c2ccccn21 ZINC000579483314 318334326 /nfs/dbraw/zinc/33/43/26/318334326.db2.gz LTIQFKSLRULEDO-LSDHHAIUSA-N 2 1 300.450 2.982 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000579682971 318347302 /nfs/dbraw/zinc/34/73/02/318347302.db2.gz HKJMOBWNZJHURV-KRWDZBQOSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(O)CCC1 ZINC000579682971 318347304 /nfs/dbraw/zinc/34/73/04/318347304.db2.gz HKJMOBWNZJHURV-KRWDZBQOSA-N 2 1 302.462 2.792 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000579860904 318359561 /nfs/dbraw/zinc/35/95/61/318359561.db2.gz WPUUTUCSZIDANB-IPMKNSEASA-N 2 1 320.477 2.589 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCCC[C@H]1O)c1ccccc1 ZINC000579860904 318359564 /nfs/dbraw/zinc/35/95/64/318359564.db2.gz WPUUTUCSZIDANB-IPMKNSEASA-N 2 1 320.477 2.589 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000579944621 318364740 /nfs/dbraw/zinc/36/47/40/318364740.db2.gz IBDQJGWVWDZGMS-IIDMSEBBSA-N 2 1 310.445 2.949 20 0 DFADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000580074031 318373478 /nfs/dbraw/zinc/37/34/78/318373478.db2.gz AKFOFURFTIGAJJ-IKGGRYGDSA-N 2 1 309.498 2.522 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000580089534 318375150 /nfs/dbraw/zinc/37/51/50/318375150.db2.gz KPXLVVUCOSDSTF-HKUYNNGSSA-N 2 1 302.462 2.841 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000580089534 318375151 /nfs/dbraw/zinc/37/51/51/318375151.db2.gz KPXLVVUCOSDSTF-HKUYNNGSSA-N 2 1 302.462 2.841 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000580089534 318375154 /nfs/dbraw/zinc/37/51/54/318375154.db2.gz KPXLVVUCOSDSTF-HKUYNNGSSA-N 2 1 302.462 2.841 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000580089534 318375157 /nfs/dbraw/zinc/37/51/57/318375157.db2.gz KPXLVVUCOSDSTF-HKUYNNGSSA-N 2 1 302.462 2.841 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)o1 ZINC000580183420 318381483 /nfs/dbraw/zinc/38/14/83/318381483.db2.gz SZZTYXHGJGFHKN-ZDUSSCGKSA-N 2 1 314.433 2.942 20 0 DFADMP c1ccc(C[N@H+]2CCCC[C@@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000379630363 323289252 /nfs/dbraw/zinc/28/92/52/323289252.db2.gz PTRXMHGKVGAWRJ-RBUKOAKNSA-N 2 1 301.478 2.773 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000379630363 323289256 /nfs/dbraw/zinc/28/92/56/323289256.db2.gz PTRXMHGKVGAWRJ-RBUKOAKNSA-N 2 1 301.478 2.773 20 0 DFADMP c1ccc(C[N@H+]2CCCC[C@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000379630361 323289909 /nfs/dbraw/zinc/28/99/09/323289909.db2.gz PTRXMHGKVGAWRJ-MOPGFXCFSA-N 2 1 301.478 2.773 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000379630361 323289914 /nfs/dbraw/zinc/28/99/14/323289914.db2.gz PTRXMHGKVGAWRJ-MOPGFXCFSA-N 2 1 301.478 2.773 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379654580 323291243 /nfs/dbraw/zinc/29/12/43/323291243.db2.gz JAXWBAPARBHONV-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000379654580 323291248 /nfs/dbraw/zinc/29/12/48/323291248.db2.gz JAXWBAPARBHONV-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379654580 323291253 /nfs/dbraw/zinc/29/12/53/323291253.db2.gz JAXWBAPARBHONV-NEWSRXKRSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379654580 323291257 /nfs/dbraw/zinc/29/12/57/323291257.db2.gz JAXWBAPARBHONV-NEWSRXKRSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]1C[C@@H](NCCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000382548083 323300235 /nfs/dbraw/zinc/30/02/35/323300235.db2.gz QMYRYCAJSFLADX-LPHOPBHVSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382719581 323301635 /nfs/dbraw/zinc/30/16/35/323301635.db2.gz KFBPHPZJVAUGHM-AZUAARDMSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382719581 323301640 /nfs/dbraw/zinc/30/16/40/323301640.db2.gz KFBPHPZJVAUGHM-AZUAARDMSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382719581 323301646 /nfs/dbraw/zinc/30/16/46/323301646.db2.gz KFBPHPZJVAUGHM-AZUAARDMSA-N 3 1 315.505 2.830 20 0 DFADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382719581 323301650 /nfs/dbraw/zinc/30/16/50/323301650.db2.gz KFBPHPZJVAUGHM-AZUAARDMSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382719581 323301654 /nfs/dbraw/zinc/30/16/54/323301654.db2.gz KFBPHPZJVAUGHM-AZUAARDMSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])CC1CCCCC1)Cc1ccccc1 ZINC000386747856 323320297 /nfs/dbraw/zinc/32/02/97/323320297.db2.gz FUIWMESFTMBJBT-GOSISDBHSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000387312447 323323554 /nfs/dbraw/zinc/32/35/54/323323554.db2.gz OJZMSXBRENSXGO-RKVPGOIHSA-N 2 1 305.466 2.768 20 0 DFADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000387462870 323324219 /nfs/dbraw/zinc/32/42/19/323324219.db2.gz QIOYOEDOAPAPSC-KFWWJZLASA-N 2 1 313.486 2.562 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000387490245 323324468 /nfs/dbraw/zinc/32/44/68/323324468.db2.gz YVXRLWAGODAPJG-MRXNPFEDSA-N 2 1 311.514 2.589 20 0 DFADMP Clc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCCO2 ZINC000389681417 323336521 /nfs/dbraw/zinc/33/65/21/323336521.db2.gz HLIABSPBWPNXQQ-OKILXGFUSA-N 2 1 322.836 2.543 20 0 DFADMP CC(C)[NH+](CC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C(C)C ZINC000396324144 323352797 /nfs/dbraw/zinc/35/27/97/323352797.db2.gz OOTISZLSNXUUGI-UHFFFAOYSA-N 2 1 310.404 2.931 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000580306463 323367774 /nfs/dbraw/zinc/36/77/74/323367774.db2.gz UWESUFXFTSGWMM-MJGOQNOKSA-N 2 1 318.436 2.806 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000580306463 323367776 /nfs/dbraw/zinc/36/77/76/323367776.db2.gz UWESUFXFTSGWMM-MJGOQNOKSA-N 2 1 318.436 2.806 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCC[NH3+])CC1 ZINC000580332301 323372689 /nfs/dbraw/zinc/37/26/89/323372689.db2.gz NYZRVPJZVOUCTA-INIZCTEOSA-N 2 1 309.498 2.619 20 0 DFADMP Cn1ccnc1[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1F ZINC000580420903 323382762 /nfs/dbraw/zinc/38/27/62/323382762.db2.gz FLEQPRAPLQEMCY-SEEARECTSA-N 2 1 302.397 2.508 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccco1 ZINC000583493856 323865280 /nfs/dbraw/zinc/86/52/80/323865280.db2.gz CKZFVSWLHRWLCJ-WDYCEAGBSA-N 2 1 314.429 2.514 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378692 337232982 /nfs/dbraw/zinc/23/29/82/337232982.db2.gz UBKDAELLZZCJSH-YOEHRIQHSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378692 337232983 /nfs/dbraw/zinc/23/29/83/337232983.db2.gz UBKDAELLZZCJSH-YOEHRIQHSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378692 337232984 /nfs/dbraw/zinc/23/29/84/337232984.db2.gz UBKDAELLZZCJSH-YOEHRIQHSA-N 2 1 316.474 2.850 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCOC1)C[NH2+]CC2 ZINC000584475160 337346209 /nfs/dbraw/zinc/34/62/09/337346209.db2.gz WELYHAHGEUPDJQ-MJGOQNOKSA-N 2 1 300.446 2.723 20 0 DFADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000584584989 337368934 /nfs/dbraw/zinc/36/89/34/337368934.db2.gz ZEXDIBGZQVHDKA-INIZCTEOSA-N 2 1 313.445 2.924 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127472 500616780 /nfs/dbraw/zinc/61/67/80/500616780.db2.gz XMJRSBRMLNWYDZ-YZGWKJHDSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127472 500616782 /nfs/dbraw/zinc/61/67/82/500616782.db2.gz XMJRSBRMLNWYDZ-YZGWKJHDSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127472 500616785 /nfs/dbraw/zinc/61/67/85/500616785.db2.gz XMJRSBRMLNWYDZ-YZGWKJHDSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000571127472 500616788 /nfs/dbraw/zinc/61/67/88/500616788.db2.gz XMJRSBRMLNWYDZ-YZGWKJHDSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000571127472 500616791 /nfs/dbraw/zinc/61/67/91/500616791.db2.gz XMJRSBRMLNWYDZ-YZGWKJHDSA-N 2 1 315.505 2.827 20 0 DFADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc(OC)c1O ZINC000299289843 533872802 /nfs/dbraw/zinc/87/28/02/533872802.db2.gz IOHINFZGOGYTDC-AWEZNQCLSA-N 2 1 322.449 2.764 20 0 DFADMP COc1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc(OC)c1O ZINC000299289843 533872809 /nfs/dbraw/zinc/87/28/09/533872809.db2.gz IOHINFZGOGYTDC-AWEZNQCLSA-N 2 1 322.449 2.764 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccc(F)c(Br)c1)C[NH+](C)C ZINC000310216564 534060441 /nfs/dbraw/zinc/06/04/41/534060441.db2.gz FXOAVMAGTPZDSC-JTQLQIEISA-N 2 1 303.219 2.876 20 0 DFADMP C[C@@H](C[NH2+]Cc1cnc(C(C)(C)C)nc1)C[NH+]1CCCCC1 ZINC000319316309 534064338 /nfs/dbraw/zinc/06/43/38/534064338.db2.gz IEIPLCHSHNPMIJ-HNNXBMFYSA-N 2 1 304.482 2.986 20 0 DFADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)c2c1 ZINC000302511846 534521398 /nfs/dbraw/zinc/52/13/98/534521398.db2.gz SWLJLSNJVNGPEN-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncccc2C)[C@H](C)C1 ZINC000154631499 521708002 /nfs/dbraw/zinc/70/80/02/521708002.db2.gz HUZGDTNBZYCYQJ-SJORKVTESA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncccc2C)[C@H](C)C1 ZINC000154631499 521708004 /nfs/dbraw/zinc/70/80/04/521708004.db2.gz HUZGDTNBZYCYQJ-SJORKVTESA-N 2 1 305.466 2.617 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154854790 523817645 /nfs/dbraw/zinc/81/76/45/523817645.db2.gz YAKUMNAECZHKDV-ZDUSSCGKSA-N 2 1 308.491 2.998 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000338361579 523870370 /nfs/dbraw/zinc/87/03/70/523870370.db2.gz CIMKUUMRFPKEDJ-UHFFFAOYSA-N 2 1 321.509 2.587 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC3(CCCCC3)CC2)CC1 ZINC000338361579 523870375 /nfs/dbraw/zinc/87/03/75/523870375.db2.gz CIMKUUMRFPKEDJ-UHFFFAOYSA-N 2 1 321.509 2.587 20 0 DFADMP Cc1cnn(CC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310219073 534741675 /nfs/dbraw/zinc/74/16/75/534741675.db2.gz FSPIDZROIXGFFX-UXHICEINSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1cnn(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310219073 534741680 /nfs/dbraw/zinc/74/16/80/534741680.db2.gz FSPIDZROIXGFFX-UXHICEINSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1cnn(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000310219073 534741683 /nfs/dbraw/zinc/74/16/83/534741683.db2.gz FSPIDZROIXGFFX-UXHICEINSA-N 2 1 324.472 2.645 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000363821962 524631278 /nfs/dbraw/zinc/63/12/78/524631278.db2.gz MMMHNEVPRCPDSI-WMZOPIPTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000364886323 525020689 /nfs/dbraw/zinc/02/06/89/525020689.db2.gz SBPYWTATLCJNCB-CZUORRHYSA-N 2 1 322.416 2.675 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000364886323 525020699 /nfs/dbraw/zinc/02/06/99/525020699.db2.gz SBPYWTATLCJNCB-CZUORRHYSA-N 2 1 322.416 2.675 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000364120511 525325242 /nfs/dbraw/zinc/32/52/42/525325242.db2.gz LMZQRUDTTHDXIX-MUGJNUQGSA-N 2 1 314.473 2.950 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000364120511 525325248 /nfs/dbraw/zinc/32/52/48/525325248.db2.gz LMZQRUDTTHDXIX-MUGJNUQGSA-N 2 1 314.473 2.950 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000361717253 534916940 /nfs/dbraw/zinc/91/69/40/534916940.db2.gz CEHXDEIPCFSEPQ-INIZCTEOSA-N 2 1 320.481 2.907 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000364155097 526520928 /nfs/dbraw/zinc/52/09/28/526520928.db2.gz IJDLQOVUHUUSBV-QGZVFWFLSA-N 2 1 321.465 2.758 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000364155097 526520932 /nfs/dbraw/zinc/52/09/32/526520932.db2.gz IJDLQOVUHUUSBV-QGZVFWFLSA-N 2 1 321.465 2.758 20 0 DFADMP Cc1nc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)nc2ccccc12 ZINC000366003937 526841325 /nfs/dbraw/zinc/84/13/25/526841325.db2.gz ZAJYVSKZVOXSKB-OAHLLOKOSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1nc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)nc2ccccc12 ZINC000366003937 526841331 /nfs/dbraw/zinc/84/13/31/526841331.db2.gz ZAJYVSKZVOXSKB-OAHLLOKOSA-N 2 1 321.428 2.829 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000299335527 526983942 /nfs/dbraw/zinc/98/39/42/526983942.db2.gz MUNNCTSSWAJFEQ-UHFFFAOYSA-N 2 1 301.434 2.752 20 0 DFADMP O=C1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941896 526991008 /nfs/dbraw/zinc/99/10/08/526991008.db2.gz QCCFHYCHCXCFNN-BLLLJJGKSA-N 2 1 317.408 2.673 20 0 DFADMP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000366346714 527253203 /nfs/dbraw/zinc/25/32/03/527253203.db2.gz LVLNQWWYABSQSV-KRWDZBQOSA-N 2 1 315.461 2.672 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](Cc2ccccc2)OC)C1 ZINC000294928798 527849294 /nfs/dbraw/zinc/84/92/94/527849294.db2.gz IWQPTZHKSWXCIZ-MOPGFXCFSA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000294928798 527849299 /nfs/dbraw/zinc/84/92/99/527849299.db2.gz IWQPTZHKSWXCIZ-MOPGFXCFSA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000294928798 527849303 /nfs/dbraw/zinc/84/93/03/527849303.db2.gz IWQPTZHKSWXCIZ-MOPGFXCFSA-N 2 1 304.478 2.908 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCO[C@@H]21 ZINC000309654286 527869752 /nfs/dbraw/zinc/86/97/52/527869752.db2.gz BBKUNBMCHOLJCA-MANSERQUSA-N 2 1 314.473 2.912 20 0 DFADMP CCC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)C1CC[NH2+]CC1 ZINC000315776412 527892778 /nfs/dbraw/zinc/89/27/78/527892778.db2.gz UUUTXFPGLPLOLK-INIZCTEOSA-N 2 1 311.514 2.781 20 0 DFADMP CCC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)C1CC[NH2+]CC1 ZINC000315776412 527892783 /nfs/dbraw/zinc/89/27/83/527892783.db2.gz UUUTXFPGLPLOLK-INIZCTEOSA-N 2 1 311.514 2.781 20 0 DFADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299524985 528256004 /nfs/dbraw/zinc/25/60/04/528256004.db2.gz LYQKDBFTHKGQNR-GOSISDBHSA-N 2 1 315.461 2.951 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccncc2C)[C@@H](C)C1 ZINC000294710744 528663173 /nfs/dbraw/zinc/66/31/73/528663173.db2.gz BIXPYHRZFMACEI-FUHWJXTLSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccncc2C)[C@@H](C)C1 ZINC000294710755 528667346 /nfs/dbraw/zinc/66/73/46/528667346.db2.gz BIXPYHRZFMACEI-WMZOPIPTSA-N 2 1 305.466 2.617 20 0 DFADMP CC1(C)CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@@H+]1CCO ZINC000302518558 529128753 /nfs/dbraw/zinc/12/87/53/529128753.db2.gz HWYXEFBGDZDOFJ-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP CC1(C)CN(c2cc[nH+]c3ccc(Cl)cc32)CC[N@H+]1CCO ZINC000302518558 529128755 /nfs/dbraw/zinc/12/87/55/529128755.db2.gz HWYXEFBGDZDOFJ-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000320669315 529172275 /nfs/dbraw/zinc/17/22/75/529172275.db2.gz JGRJNODTCQYYNX-OAHLLOKOSA-N 2 1 303.406 2.950 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236818627 535046648 /nfs/dbraw/zinc/04/66/48/535046648.db2.gz JBJYWNYTZBZFRY-KRWDZBQOSA-N 2 1 305.466 2.661 20 0 DFADMP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC000245681741 535157254 /nfs/dbraw/zinc/15/72/54/535157254.db2.gz JAIXPRKSCHMOHJ-NNZMDNLPSA-N 2 1 300.446 2.808 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C12CCOCC2 ZINC000249009371 535407121 /nfs/dbraw/zinc/40/71/21/535407121.db2.gz OJXDFLUBRPHHGE-KZNAEPCWSA-N 2 1 324.509 2.671 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000357733035 535550909 /nfs/dbraw/zinc/55/09/09/535550909.db2.gz QAQYTHGQCLQVLH-HNNXBMFYSA-N 2 1 311.495 2.693 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC000357733035 535550913 /nfs/dbraw/zinc/55/09/13/535550913.db2.gz QAQYTHGQCLQVLH-HNNXBMFYSA-N 2 1 311.495 2.693 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([C@H]4C[C@H]4C)o3)C2)CC1 ZINC000245701360 535737162 /nfs/dbraw/zinc/73/71/62/535737162.db2.gz DBUIAVPDDYKEAB-NUJGCVRESA-N 2 1 317.477 2.615 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000262025327 535862413 /nfs/dbraw/zinc/86/24/13/535862413.db2.gz YCBNCRZLQHLMFI-HNNXBMFYSA-N 2 1 303.450 2.557 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000165898171 535954154 /nfs/dbraw/zinc/95/41/54/535954154.db2.gz KGINKHUPNQRKQA-SZMVWBNQSA-N 2 1 317.477 2.531 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000245691217 536708662 /nfs/dbraw/zinc/70/86/62/536708662.db2.gz ATOXQKVUDXBLKQ-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000245691217 536708667 /nfs/dbraw/zinc/70/86/67/536708667.db2.gz ATOXQKVUDXBLKQ-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000245691217 536708675 /nfs/dbraw/zinc/70/86/75/536708675.db2.gz ATOXQKVUDXBLKQ-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC(F)F ZINC000261846346 536756428 /nfs/dbraw/zinc/75/64/28/536756428.db2.gz DCDITCUBBFIOOE-GFCCVEGCSA-N 2 1 314.376 2.857 20 0 DFADMP COCc1ccc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000355359485 536766822 /nfs/dbraw/zinc/76/68/22/536766822.db2.gz BVIJMYHCEOHBLM-CQSZACIVSA-N 2 1 303.406 2.614 20 0 DFADMP COCc1ccc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)o1 ZINC000355359485 536766827 /nfs/dbraw/zinc/76/68/27/536766827.db2.gz BVIJMYHCEOHBLM-CQSZACIVSA-N 2 1 303.406 2.614 20 0 DFADMP COC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C(C)C ZINC000361218230 536875193 /nfs/dbraw/zinc/87/51/93/536875193.db2.gz WUVDJMYGIAHHMW-KRWDZBQOSA-N 2 1 312.498 2.671 20 0 DFADMP CC[C@H](C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1CC)[NH+](CC)CC ZINC000680868953 545555373 /nfs/dbraw/zinc/55/53/73/545555373.db2.gz BPQKYQVDAHXOBO-YESZJQIVSA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@H+]1C[C@H](NCc2c[nH]nc2-c2ccc(OC)cc2)[C@@H](C)C1 ZINC000680932722 545566069 /nfs/dbraw/zinc/56/60/69/545566069.db2.gz NIRBWZZNPOTOJM-GUYCJALGSA-N 2 1 314.433 2.515 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2c[nH]nc2-c2ccc(OC)cc2)[C@@H](C)C1 ZINC000680932722 545566071 /nfs/dbraw/zinc/56/60/71/545566071.db2.gz NIRBWZZNPOTOJM-GUYCJALGSA-N 2 1 314.433 2.515 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000683008496 545958792 /nfs/dbraw/zinc/95/87/92/545958792.db2.gz YICAUHYIMFBIBX-AEFFLSMTSA-N 2 1 324.428 2.782 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000683008496 545958795 /nfs/dbraw/zinc/95/87/95/545958795.db2.gz YICAUHYIMFBIBX-AEFFLSMTSA-N 2 1 324.428 2.782 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)ccn2)CC1 ZINC000683019991 545961123 /nfs/dbraw/zinc/96/11/23/545961123.db2.gz UWXPYIQFHNQCKP-UHFFFAOYSA-N 2 1 319.493 2.960 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cc(-c3ccccc3)n[nH]1)CC2 ZINC000683470597 546038583 /nfs/dbraw/zinc/03/85/83/546038583.db2.gz FDKOOEHYWZICNJ-CQSZACIVSA-N 2 1 307.401 2.625 20 0 DFADMP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000683522192 546051665 /nfs/dbraw/zinc/05/16/65/546051665.db2.gz HTEIAYSHOAMSDF-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000683522192 546051668 /nfs/dbraw/zinc/05/16/68/546051668.db2.gz HTEIAYSHOAMSDF-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP CCCN1CCC[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000683581995 546065156 /nfs/dbraw/zinc/06/51/56/546065156.db2.gz SXDBHJPBHUHBNQ-JALIKCBVSA-N 2 1 304.438 2.957 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC000683581995 546065163 /nfs/dbraw/zinc/06/51/63/546065163.db2.gz SXDBHJPBHUHBNQ-JALIKCBVSA-N 2 1 304.438 2.957 20 0 DFADMP CCC[NH+]1CCC[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000683581995 546065170 /nfs/dbraw/zinc/06/51/70/546065170.db2.gz SXDBHJPBHUHBNQ-JALIKCBVSA-N 2 1 304.438 2.957 20 0 DFADMP CCC[NH+]1CCC[C@@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000683581995 546065176 /nfs/dbraw/zinc/06/51/76/546065176.db2.gz SXDBHJPBHUHBNQ-JALIKCBVSA-N 2 1 304.438 2.957 20 0 DFADMP CCO[C@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000683694293 546077323 /nfs/dbraw/zinc/07/73/23/546077323.db2.gz SCDOPCMVQPNFRG-MSOLQXFVSA-N 2 1 306.425 2.600 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000683719829 546081448 /nfs/dbraw/zinc/08/14/48/546081448.db2.gz BTZJSVUZIZLTBL-HUUCEWRRSA-N 2 1 323.444 2.933 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000684112694 546153574 /nfs/dbraw/zinc/15/35/74/546153574.db2.gz XQIYPHKOZVVPLW-QZWWFDLISA-N 2 1 302.466 2.663 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000684145430 546157867 /nfs/dbraw/zinc/15/78/67/546157867.db2.gz AJLZPBQLFFKBHZ-GOSISDBHSA-N 2 1 320.477 2.874 20 0 DFADMP C[C@@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684149276 546159156 /nfs/dbraw/zinc/15/91/56/546159156.db2.gz WPZAFDGKTZWLBY-AEFFLSMTSA-N 2 1 320.477 2.752 20 0 DFADMP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]c3cc(F)c(OC)cc23)C1 ZINC000684571540 546245536 /nfs/dbraw/zinc/24/55/36/546245536.db2.gz BJNBRNXJNQCIGQ-GFCCVEGCSA-N 2 1 319.380 2.515 20 0 DFADMP CC[N@H+]1CCO[C@H](CNc2cc[nH+]c3cc(F)c(OC)cc23)C1 ZINC000684571540 546245538 /nfs/dbraw/zinc/24/55/38/546245538.db2.gz BJNBRNXJNQCIGQ-GFCCVEGCSA-N 2 1 319.380 2.515 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000684968903 546311501 /nfs/dbraw/zinc/31/15/01/546311501.db2.gz GXRJBJPGDUBFFL-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000684968904 546311659 /nfs/dbraw/zinc/31/16/59/546311659.db2.gz GXRJBJPGDUBFFL-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP CC1=CCC[C@@H](C)[C@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454794 546352583 /nfs/dbraw/zinc/35/25/83/546352583.db2.gz RMALOMYOTVWISF-MJGOQNOKSA-N 2 1 307.526 2.937 20 0 DFADMP Cc1ccc(F)c(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457902 546353743 /nfs/dbraw/zinc/35/37/43/546353743.db2.gz RYUFGXAJDJGAOY-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1ccc(F)c(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457902 546353746 /nfs/dbraw/zinc/35/37/46/546353746.db2.gz RYUFGXAJDJGAOY-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP CC(C)[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566931 546368234 /nfs/dbraw/zinc/36/82/34/546368234.db2.gz RVZKXINFXRFYTB-PKOBYXMFSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000685566931 546368237 /nfs/dbraw/zinc/36/82/37/546368237.db2.gz RVZKXINFXRFYTB-PKOBYXMFSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685566931 546368241 /nfs/dbraw/zinc/36/82/41/546368241.db2.gz RVZKXINFXRFYTB-PKOBYXMFSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@@H]1c2ccccc2CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685566931 546368245 /nfs/dbraw/zinc/36/82/45/546368245.db2.gz RVZKXINFXRFYTB-PKOBYXMFSA-N 2 1 302.462 2.697 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577460 546369936 /nfs/dbraw/zinc/36/99/36/546369936.db2.gz TZYJTDVSPJCSJZ-BRWVUGGUSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577460 546369939 /nfs/dbraw/zinc/36/99/39/546369939.db2.gz TZYJTDVSPJCSJZ-BRWVUGGUSA-N 2 1 305.466 2.973 20 0 DFADMP COc1ccccc1C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278393141 214137846 /nfs/dbraw/zinc/13/78/46/214137846.db2.gz CYGOUUPOTLPZGZ-DLBZAZTESA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccccc1C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278393141 214137847 /nfs/dbraw/zinc/13/78/47/214137847.db2.gz CYGOUUPOTLPZGZ-DLBZAZTESA-N 2 1 320.477 2.717 20 0 DFADMP FC(F)(F)c1cnc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000278612267 214274803 /nfs/dbraw/zinc/27/48/03/214274803.db2.gz IUOJSGNGEYOSKV-SECBINFHSA-N 2 1 316.352 2.711 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309857390 231106818 /nfs/dbraw/zinc/10/68/18/231106818.db2.gz LTOCTTDOJOJTSE-QDGKJQRMSA-N 2 1 314.473 2.912 20 0 DFADMP Nc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310291806 231112644 /nfs/dbraw/zinc/11/26/44/231112644.db2.gz RSLDKNLLYNQGLK-PKOBYXMFSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310291806 231112648 /nfs/dbraw/zinc/11/26/48/231112648.db2.gz RSLDKNLLYNQGLK-PKOBYXMFSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310291806 231112652 /nfs/dbraw/zinc/11/26/52/231112652.db2.gz RSLDKNLLYNQGLK-PKOBYXMFSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310291806 231112656 /nfs/dbraw/zinc/11/26/56/231112656.db2.gz RSLDKNLLYNQGLK-PKOBYXMFSA-N 2 1 322.456 2.618 20 0 DFADMP C[C@H](C[NH2+]Cc1ccc(F)c(Br)c1)C[NH+](C)C ZINC000310216565 231113553 /nfs/dbraw/zinc/11/35/53/231113553.db2.gz FXOAVMAGTPZDSC-SNVBAGLBSA-N 2 1 303.219 2.876 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccccc3C2)CCCO1 ZINC000278737338 214365268 /nfs/dbraw/zinc/36/52/68/214365268.db2.gz WNUXAHCHJPCFEP-APWZRJJASA-N 2 1 302.462 2.634 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccccc3C2)CCCO1 ZINC000278737338 214365271 /nfs/dbraw/zinc/36/52/71/214365271.db2.gz WNUXAHCHJPCFEP-APWZRJJASA-N 2 1 302.462 2.634 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905709 398348738 /nfs/dbraw/zinc/34/87/38/398348738.db2.gz GXUUTXHFZXLTKB-WBVHZDCISA-N 2 1 320.481 2.862 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905709 398348742 /nfs/dbraw/zinc/34/87/42/398348742.db2.gz GXUUTXHFZXLTKB-WBVHZDCISA-N 2 1 320.481 2.862 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905709 398348745 /nfs/dbraw/zinc/34/87/45/398348745.db2.gz GXUUTXHFZXLTKB-WBVHZDCISA-N 2 1 320.481 2.862 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000066046047 398356179 /nfs/dbraw/zinc/35/61/79/398356179.db2.gz MIOMNGCDAXPZMH-SOLBZPMBSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000066046047 398356182 /nfs/dbraw/zinc/35/61/82/398356182.db2.gz MIOMNGCDAXPZMH-SOLBZPMBSA-N 2 1 317.477 2.668 20 0 DFADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365307632 282185345 /nfs/dbraw/zinc/18/53/45/282185345.db2.gz JGUVIISWFRUPQV-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000066125733 398358591 /nfs/dbraw/zinc/35/85/91/398358591.db2.gz JLBLJKOYIFCJCZ-MRXNPFEDSA-N 2 1 319.493 2.989 20 0 DFADMP CCOc1cc(CNC[C@H]2CCC[N@@H+]2C)cc(Cl)c1OC ZINC000236954873 398365509 /nfs/dbraw/zinc/36/55/09/398365509.db2.gz YTDJHEAFEVWRMA-CYBMUJFWSA-N 2 1 312.841 2.931 20 0 DFADMP C[C@@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000237423826 398370283 /nfs/dbraw/zinc/37/02/83/398370283.db2.gz XBEAMXFVVPJMNR-INIZCTEOSA-N 2 1 323.525 2.783 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044112 185279622 /nfs/dbraw/zinc/27/96/22/185279622.db2.gz UQBVXXCGUDTLJH-VNHYZAJKSA-N 2 1 318.440 2.573 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1C ZINC000272820626 210221540 /nfs/dbraw/zinc/22/15/40/210221540.db2.gz CZLDEJAVCIUJTF-FUHWJXTLSA-N 2 1 320.477 2.891 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478152 199304353 /nfs/dbraw/zinc/30/43/53/199304353.db2.gz GPWJAMYXZMDWQH-MSOLQXFVSA-N 2 1 316.445 2.536 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478152 199304356 /nfs/dbraw/zinc/30/43/56/199304356.db2.gz GPWJAMYXZMDWQH-MSOLQXFVSA-N 2 1 316.445 2.536 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478152 199304358 /nfs/dbraw/zinc/30/43/58/199304358.db2.gz GPWJAMYXZMDWQH-MSOLQXFVSA-N 2 1 316.445 2.536 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797451 529811582 /nfs/dbraw/zinc/81/15/82/529811582.db2.gz NBDZHTLIRMWCLT-SFHVURJKSA-N 2 1 314.408 2.743 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797451 529811584 /nfs/dbraw/zinc/81/15/84/529811584.db2.gz NBDZHTLIRMWCLT-SFHVURJKSA-N 2 1 314.408 2.743 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797451 529811585 /nfs/dbraw/zinc/81/15/85/529811585.db2.gz NBDZHTLIRMWCLT-SFHVURJKSA-N 2 1 314.408 2.743 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797451 529811586 /nfs/dbraw/zinc/81/15/86/529811586.db2.gz NBDZHTLIRMWCLT-SFHVURJKSA-N 2 1 314.408 2.743 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000584835227 398419551 /nfs/dbraw/zinc/41/95/51/398419551.db2.gz UOQJWABJRFSJLM-AWEZNQCLSA-N 2 1 323.868 2.990 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000592433625 398425491 /nfs/dbraw/zinc/42/54/91/398425491.db2.gz MOCJTZCNCLQNFW-CABCVRRESA-N 2 1 320.433 2.668 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@H]21 ZINC000592403449 398422858 /nfs/dbraw/zinc/42/28/58/398422858.db2.gz LIJUSRPYDSGXEI-BQJWPVKWSA-N 2 1 322.493 2.959 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492190 398433769 /nfs/dbraw/zinc/43/37/69/398433769.db2.gz VMLTUYYFYROJDJ-FMKPAKJESA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492190 398433772 /nfs/dbraw/zinc/43/37/72/398433772.db2.gz VMLTUYYFYROJDJ-FMKPAKJESA-N 2 1 322.474 2.674 20 0 DFADMP CC(C)n1cc2c(n1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000459435781 299106174 /nfs/dbraw/zinc/10/61/74/299106174.db2.gz PGLDDOFGNTTZLK-INIZCTEOSA-N 2 1 302.466 2.538 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855369 530059523 /nfs/dbraw/zinc/05/95/23/530059523.db2.gz CBVITLIAOYSYOC-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855369 530059524 /nfs/dbraw/zinc/05/95/24/530059524.db2.gz CBVITLIAOYSYOC-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccccc3F)C2)C1 ZINC000292855369 530059525 /nfs/dbraw/zinc/05/95/25/530059525.db2.gz CBVITLIAOYSYOC-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530224716 301031427 /nfs/dbraw/zinc/03/14/27/301031427.db2.gz XBHHUMRVXHRFOD-JGVFFNPUSA-N 2 1 307.182 2.943 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912147 398496989 /nfs/dbraw/zinc/49/69/89/398496989.db2.gz ZYBCHSWXURAINS-KEYYUXOJSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912147 398496992 /nfs/dbraw/zinc/49/69/92/398496992.db2.gz ZYBCHSWXURAINS-KEYYUXOJSA-N 2 1 303.450 2.831 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000459526645 299125833 /nfs/dbraw/zinc/12/58/33/299125833.db2.gz OZTVYBIERATAJF-MRXNPFEDSA-N 2 1 302.466 2.538 20 0 DFADMP OCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000279612115 215004503 /nfs/dbraw/zinc/00/45/03/215004503.db2.gz QZGQBOJMUJVGIK-CEXWTWQISA-N 2 1 302.462 2.649 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000272681713 210085345 /nfs/dbraw/zinc/08/53/45/210085345.db2.gz NDUJZMLWGAPHQJ-MUGJNUQGSA-N 2 1 314.473 2.913 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459561767 299133787 /nfs/dbraw/zinc/13/37/87/299133787.db2.gz SIUSGGVYGPHJMC-INIZCTEOSA-N 3 1 304.482 2.760 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459561767 299133791 /nfs/dbraw/zinc/13/37/91/299133791.db2.gz SIUSGGVYGPHJMC-INIZCTEOSA-N 3 1 304.482 2.760 20 0 DFADMP Cc1ccc([C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CC2)cc1 ZINC000091306425 398525574 /nfs/dbraw/zinc/52/55/74/398525574.db2.gz GLPSQHFDMDMCOD-IBGZPJMESA-N 2 1 302.462 2.883 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000091334568 398526491 /nfs/dbraw/zinc/52/64/91/398526491.db2.gz GXLJVIMJDPVODD-LSDHHAIUSA-N 2 1 318.383 2.915 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000091334569 398526680 /nfs/dbraw/zinc/52/66/80/398526680.db2.gz GXLJVIMJDPVODD-CABCVRRESA-N 2 1 318.383 2.915 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043092 398555314 /nfs/dbraw/zinc/55/53/14/398555314.db2.gz RTLNTEFTTGSABZ-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043092 398555320 /nfs/dbraw/zinc/55/53/20/398555320.db2.gz RTLNTEFTTGSABZ-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043092 398555327 /nfs/dbraw/zinc/55/53/27/398555327.db2.gz RTLNTEFTTGSABZ-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1F ZINC000597050586 398555773 /nfs/dbraw/zinc/55/57/73/398555773.db2.gz WZSBROXGRZNWTA-AWEZNQCLSA-N 2 1 322.424 2.824 20 0 DFADMP COC(=O)c1ccc(CNC[C@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000597055939 398556467 /nfs/dbraw/zinc/55/64/67/398556467.db2.gz TZRNDKBKUKPOPV-OAHLLOKOSA-N 2 1 322.424 2.822 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000597055939 398556470 /nfs/dbraw/zinc/55/64/70/398556470.db2.gz TZRNDKBKUKPOPV-OAHLLOKOSA-N 2 1 322.424 2.822 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000597055939 398556474 /nfs/dbraw/zinc/55/64/74/398556474.db2.gz TZRNDKBKUKPOPV-OAHLLOKOSA-N 2 1 322.424 2.822 20 0 DFADMP Cc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000322697761 398558739 /nfs/dbraw/zinc/55/87/39/398558739.db2.gz NSPDPYLBTHCFNJ-XHSDSOJGSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000322697761 398558742 /nfs/dbraw/zinc/55/87/42/398558742.db2.gz NSPDPYLBTHCFNJ-XHSDSOJGSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1occc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000414365551 295793140 /nfs/dbraw/zinc/79/31/40/295793140.db2.gz OSBYPIHJEWZRLN-UHFFFAOYSA-N 2 1 314.429 2.835 20 0 DFADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000597221661 398595613 /nfs/dbraw/zinc/59/56/13/398595613.db2.gz VPGWYAIFJYOVPR-BGTYHANMSA-N 2 1 316.445 2.581 20 0 DFADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000597221661 398595616 /nfs/dbraw/zinc/59/56/16/398595616.db2.gz VPGWYAIFJYOVPR-BGTYHANMSA-N 2 1 316.445 2.581 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(Cl)c1OC ZINC000593315029 398596545 /nfs/dbraw/zinc/59/65/45/398596545.db2.gz OMJPFXQYEYLKCQ-LBPRGKRZSA-N 2 1 321.808 2.658 20 0 DFADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000590126324 398598153 /nfs/dbraw/zinc/59/81/53/398598153.db2.gz DTUVQEZETRROIB-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126324 398598157 /nfs/dbraw/zinc/59/81/57/398598157.db2.gz DTUVQEZETRROIB-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126324 398598163 /nfs/dbraw/zinc/59/81/63/398598163.db2.gz DTUVQEZETRROIB-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126324 398598168 /nfs/dbraw/zinc/59/81/68/398598168.db2.gz DTUVQEZETRROIB-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126324 398598171 /nfs/dbraw/zinc/59/81/71/398598171.db2.gz DTUVQEZETRROIB-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CCC[C@@H](C(=O)Nc1cccc2c1CC[N@@H+](CC)C2)[NH+](C)C ZINC000092762294 398600102 /nfs/dbraw/zinc/60/01/02/398600102.db2.gz CHDKFEUTHXSCAG-KRWDZBQOSA-N 2 1 303.450 2.733 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCC[NH+](C(C)C)C(C)C)n1 ZINC000092885853 398604256 /nfs/dbraw/zinc/60/42/56/398604256.db2.gz LZHHUEMYBVCALW-UHFFFAOYSA-N 2 1 302.426 2.501 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000070944653 398604701 /nfs/dbraw/zinc/60/47/01/398604701.db2.gz GNIBLLKUTSGRNU-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139833879 186024306 /nfs/dbraw/zinc/02/43/06/186024306.db2.gz RBNYWZUHCKAIMQ-HKUYNNGSSA-N 3 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139833879 186024307 /nfs/dbraw/zinc/02/43/07/186024307.db2.gz RBNYWZUHCKAIMQ-HKUYNNGSSA-N 3 1 310.445 2.788 20 0 DFADMP CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000093201867 398623842 /nfs/dbraw/zinc/62/38/42/398623842.db2.gz SWONOUOJXWTPAW-CVEARBPZSA-N 2 1 305.470 2.523 20 0 DFADMP CC(C)n1cnnc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000093201867 398623843 /nfs/dbraw/zinc/62/38/43/398623843.db2.gz SWONOUOJXWTPAW-CVEARBPZSA-N 2 1 305.470 2.523 20 0 DFADMP CC(C)n1cnnc1[C@@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000093201867 398623844 /nfs/dbraw/zinc/62/38/44/398623844.db2.gz SWONOUOJXWTPAW-CVEARBPZSA-N 2 1 305.470 2.523 20 0 DFADMP CCc1cccc(C)c1NC(=O)CN(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000152429646 186072109 /nfs/dbraw/zinc/07/21/09/186072109.db2.gz WQLDOTUZKRUEIR-INIZCTEOSA-N 2 1 317.477 2.770 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152408078 186069082 /nfs/dbraw/zinc/06/90/82/186069082.db2.gz DSQWRCJCJANGPJ-JKSUJKDBSA-N 2 1 318.461 2.847 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152407984 186069364 /nfs/dbraw/zinc/06/93/64/186069364.db2.gz DSQWRCJCJANGPJ-CVEARBPZSA-N 2 1 318.461 2.847 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccsc2Br)CC1 ZINC000392751843 323348403 /nfs/dbraw/zinc/34/84/03/323348403.db2.gz DQYICTFVTNDVJP-UHFFFAOYSA-N 2 1 301.253 2.862 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)Cn2cncn2)cc1 ZINC000164175364 186151249 /nfs/dbraw/zinc/15/12/49/186151249.db2.gz HANKYMLVNAGPDZ-KBPBESRZSA-N 2 1 310.405 2.512 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093770445 398644996 /nfs/dbraw/zinc/64/49/96/398644996.db2.gz RDKVWUHSPMHOIQ-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093770445 398645000 /nfs/dbraw/zinc/64/50/00/398645000.db2.gz RDKVWUHSPMHOIQ-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093770445 398645003 /nfs/dbraw/zinc/64/50/03/398645003.db2.gz RDKVWUHSPMHOIQ-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093770445 398645008 /nfs/dbraw/zinc/64/50/08/398645008.db2.gz RDKVWUHSPMHOIQ-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccn(C)c3)CC2)C[C@H](C)O1 ZINC000093844289 398647800 /nfs/dbraw/zinc/64/78/00/398647800.db2.gz ANXSGWLRUZIRLS-CALCHBBNSA-N 2 1 319.493 2.736 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000044533495 398647108 /nfs/dbraw/zinc/64/71/08/398647108.db2.gz DROGKLQUCJDDJI-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000044533495 398647109 /nfs/dbraw/zinc/64/71/09/398647109.db2.gz DROGKLQUCJDDJI-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000287193154 219371703 /nfs/dbraw/zinc/37/17/03/219371703.db2.gz VYQXGABPWLOBAR-ZACQAIPSSA-N 2 1 308.853 2.980 20 0 DFADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000287193154 219371705 /nfs/dbraw/zinc/37/17/05/219371705.db2.gz VYQXGABPWLOBAR-ZACQAIPSSA-N 2 1 308.853 2.980 20 0 DFADMP Cc1ccncc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000280043668 215335572 /nfs/dbraw/zinc/33/55/72/215335572.db2.gz VNFUDEJWCPQXGW-UHFFFAOYSA-N 2 1 311.429 2.512 20 0 DFADMP C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414819607 295821741 /nfs/dbraw/zinc/82/17/41/295821741.db2.gz HYLXOOJYSWJBDD-YOEHRIQHSA-N 2 1 316.424 2.548 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000171764770 197981508 /nfs/dbraw/zinc/98/15/08/197981508.db2.gz HQBQFSNMVIGZFM-INIZCTEOSA-N 2 1 323.444 2.862 20 0 DFADMP C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000414823093 295822267 /nfs/dbraw/zinc/82/22/67/295822267.db2.gz AVOJEWYITCHXBM-VXGBXAGGSA-N 2 1 306.841 2.704 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000414829730 295823212 /nfs/dbraw/zinc/82/32/12/295823212.db2.gz BJHCNYQYIUXXBD-LLVKDONJSA-N 2 1 322.403 2.712 20 0 DFADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(SC)cc1OC ZINC000414827922 295822914 /nfs/dbraw/zinc/82/29/14/295822914.db2.gz LAUDOUHUAIFQCD-PBWFPOADSA-N 2 1 322.474 2.798 20 0 DFADMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(C2CCCCC2)n1 ZINC000414826614 295822992 /nfs/dbraw/zinc/82/29/92/295822992.db2.gz JGVJMSFPNZGGLS-SJPCQFCGSA-N 2 1 302.466 2.840 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844031 295825167 /nfs/dbraw/zinc/82/51/67/295825167.db2.gz KKBPXWHLPDVWAX-JSGCOSHPSA-N 2 1 309.841 2.707 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C2CC2)cc1OCCC(C)C ZINC000414885214 295830158 /nfs/dbraw/zinc/83/01/58/295830158.db2.gz BRHMBCORBCCXTQ-MRXNPFEDSA-N 2 1 306.450 2.947 20 0 DFADMP CSc1cc2c(cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1)OCCO2 ZINC000414896209 295831554 /nfs/dbraw/zinc/83/15/54/295831554.db2.gz BBVFJZMCZLUYFJ-QGZVFWFLSA-N 2 1 322.474 2.659 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCc3ccccc32)C1 ZINC000331697582 234010226 /nfs/dbraw/zinc/01/02/26/234010226.db2.gz DFYSESUKWLKIMQ-WBVHZDCISA-N 2 1 301.434 2.901 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000590786453 398673915 /nfs/dbraw/zinc/67/39/15/398673915.db2.gz DDQRQEHJBBSJDE-UHFFFAOYSA-N 2 1 303.450 2.677 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000590786453 398673917 /nfs/dbraw/zinc/67/39/17/398673917.db2.gz DDQRQEHJBBSJDE-UHFFFAOYSA-N 2 1 303.450 2.677 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414969132 295842549 /nfs/dbraw/zinc/84/25/49/295842549.db2.gz IZBWBDCBUGXXJY-OAHLLOKOSA-N 2 1 324.852 2.979 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000459777315 299189574 /nfs/dbraw/zinc/18/95/74/299189574.db2.gz KPCUJNFGCKKFAN-CYBMUJFWSA-N 2 1 304.463 2.960 20 0 DFADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414996741 295845383 /nfs/dbraw/zinc/84/53/83/295845383.db2.gz GUSMVTLYVIFUIY-TZMCWYRMSA-N 2 1 300.368 2.981 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@@H]1C ZINC000459781798 299190861 /nfs/dbraw/zinc/19/08/61/299190861.db2.gz MMGHIHDVZUCIDI-LUKYLMHMSA-N 2 1 310.482 2.676 20 0 DFADMP Fc1cc2cccnc2c(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000415002263 295846060 /nfs/dbraw/zinc/84/60/60/295846060.db2.gz LUQIMWBGOCGPNW-CYBMUJFWSA-N 2 1 309.335 2.708 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC000415002183 295846201 /nfs/dbraw/zinc/84/62/01/295846201.db2.gz NJMKPAUMASVCSR-UDSFMNFJSA-N 2 1 302.315 2.812 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000590810151 398679566 /nfs/dbraw/zinc/67/95/66/398679566.db2.gz FFJHMJJIGPMYPV-MSOLQXFVSA-N 2 1 317.477 2.668 20 0 DFADMP FC(F)(F)C1CCC([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)CC1 ZINC000415008379 295846733 /nfs/dbraw/zinc/84/67/33/295846733.db2.gz VXGOSBSTTAXMRK-YVNMAJEFSA-N 2 1 300.315 2.942 20 0 DFADMP O=C1CCCN1CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000590819456 398680955 /nfs/dbraw/zinc/68/09/55/398680955.db2.gz JSIGAZVTMYGSGP-GOSISDBHSA-N 2 1 321.509 2.587 20 0 DFADMP Cc1ccc(COc2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)cc1 ZINC000415020536 295847910 /nfs/dbraw/zinc/84/79/10/295847910.db2.gz BENQWUWUWNRZGF-PMOLBWCYSA-N 2 1 308.425 2.881 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072803437 191231930 /nfs/dbraw/zinc/23/19/30/191231930.db2.gz ODORCZVJAFUDHB-KRWDZBQOSA-N 2 1 317.477 2.987 20 0 DFADMP c1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc(OCC2CCCCC2)c1 ZINC000415036294 295849545 /nfs/dbraw/zinc/84/95/45/295849545.db2.gz LPCACZVTLNWKIF-BWTSREIZSA-N 2 1 300.446 2.953 20 0 DFADMP Fc1ccccc1COc1cccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000415036256 295849592 /nfs/dbraw/zinc/84/95/92/295849592.db2.gz LOJGXOGMUUFYBN-DZFIZOCASA-N 2 1 312.388 2.712 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000173620770 198233918 /nfs/dbraw/zinc/23/39/18/198233918.db2.gz VODBHLKGGBXHDV-HOTGVXAUSA-N 2 1 317.477 2.715 20 0 DFADMP Cc1cc(Br)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000401683940 398687902 /nfs/dbraw/zinc/68/79/02/398687902.db2.gz UVYAWTCRVKGFFK-UHFFFAOYSA-N 2 1 308.223 2.823 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070857 295854520 /nfs/dbraw/zinc/85/45/20/295854520.db2.gz VREHCFFPAOYZHS-ACJLOTCBSA-N 2 1 300.450 2.991 20 0 DFADMP Cc1ccc(C[NH2+]CCc2c[nH+]cn2C)c(Br)c1 ZINC000401772428 398688442 /nfs/dbraw/zinc/68/84/42/398688442.db2.gz PKNZZWCKNBVSEC-UHFFFAOYSA-N 2 1 308.223 2.823 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CO1 ZINC000401870358 398689033 /nfs/dbraw/zinc/68/90/33/398689033.db2.gz BLLUCVAOPBBQTC-IQZDNPOKSA-N 2 1 300.446 2.664 20 0 DFADMP [NH3+]CC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000415085283 295856176 /nfs/dbraw/zinc/85/61/76/295856176.db2.gz SHQGINBFEXZIOM-UHFFFAOYSA-N 3 1 301.478 2.758 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](CCc2nc(-c3ccccc3)no2)C1 ZINC000173903093 198267346 /nfs/dbraw/zinc/26/73/46/198267346.db2.gz ZOKHFFHCCDCXSZ-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCc2nc(-c3ccccc3)no2)C1 ZINC000173903093 198267348 /nfs/dbraw/zinc/26/73/48/198267348.db2.gz ZOKHFFHCCDCXSZ-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000173903093 198267350 /nfs/dbraw/zinc/26/73/50/198267350.db2.gz ZOKHFFHCCDCXSZ-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000173903093 198267352 /nfs/dbraw/zinc/26/73/52/198267352.db2.gz ZOKHFFHCCDCXSZ-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3ccccc3o2)CC1 ZINC000105476757 398693612 /nfs/dbraw/zinc/69/36/12/398693612.db2.gz DHJPJBNPVHCQLJ-UHFFFAOYSA-N 2 1 301.434 2.550 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000277114353 213302700 /nfs/dbraw/zinc/30/27/00/213302700.db2.gz HIFNSYSYMHBANS-INIZCTEOSA-N 2 1 314.433 2.695 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000174517259 198345181 /nfs/dbraw/zinc/34/51/81/198345181.db2.gz YVLBLBWOBXKIIA-SJLPKXTDSA-N 3 1 319.493 2.589 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000174517259 198345183 /nfs/dbraw/zinc/34/51/83/198345183.db2.gz YVLBLBWOBXKIIA-SJLPKXTDSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@@H]1C[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000174517259 198345185 /nfs/dbraw/zinc/34/51/85/198345185.db2.gz YVLBLBWOBXKIIA-SJLPKXTDSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@@H]1C[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000174517259 198345187 /nfs/dbraw/zinc/34/51/87/198345187.db2.gz YVLBLBWOBXKIIA-SJLPKXTDSA-N 2 1 319.493 2.589 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000073949161 398711871 /nfs/dbraw/zinc/71/18/71/398711871.db2.gz GOFTUMCIJPOCHD-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP C[NH+]1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277060993 213270319 /nfs/dbraw/zinc/27/03/19/213270319.db2.gz HYJDCGSZHGTPBE-OALUTQOASA-N 2 1 320.452 2.583 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277033761 213253280 /nfs/dbraw/zinc/25/32/80/213253280.db2.gz BHXDXHYHCQEAIY-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129446687 283016004 /nfs/dbraw/zinc/01/60/04/283016004.db2.gz LUDRWVKVGLVDOP-STQMWFEESA-N 2 1 308.388 2.544 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000074157326 398727479 /nfs/dbraw/zinc/72/74/79/398727479.db2.gz QGULOCLKHDAVTH-INIZCTEOSA-N 2 1 320.481 2.587 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000130864987 283063926 /nfs/dbraw/zinc/06/39/26/283063926.db2.gz OGBPBUMNTLRCRL-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C)c(C)c1 ZINC000130864987 283063929 /nfs/dbraw/zinc/06/39/29/283063929.db2.gz OGBPBUMNTLRCRL-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1Br ZINC000286383856 291063235 /nfs/dbraw/zinc/06/32/35/291063235.db2.gz ONYXOGMJUVAHLD-NWDGAFQWSA-N 2 1 310.239 2.907 20 0 DFADMP C[C@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000132066647 283109215 /nfs/dbraw/zinc/10/92/15/283109215.db2.gz TVPFOVOQMBNWCQ-GJZGRUSLSA-N 2 1 322.453 2.508 20 0 DFADMP CCC[N@H+](C)C[C@H]1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000462948777 299233933 /nfs/dbraw/zinc/23/39/33/299233933.db2.gz ZGRVQGVXUICZBL-OAHLLOKOSA-N 2 1 319.497 2.834 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000462948777 299233935 /nfs/dbraw/zinc/23/39/35/299233935.db2.gz ZGRVQGVXUICZBL-OAHLLOKOSA-N 2 1 319.497 2.834 20 0 DFADMP CSC[C@@](C)(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080204057 192012657 /nfs/dbraw/zinc/01/26/57/192012657.db2.gz LKPJTIUFFYQRQU-SFHVURJKSA-N 2 1 324.534 2.848 20 0 DFADMP CCC[NH2+]CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000236823056 202027414 /nfs/dbraw/zinc/02/74/14/202027414.db2.gz MWJGNGBLWQIJRR-UHFFFAOYSA-N 2 1 305.466 2.646 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591582987 398773646 /nfs/dbraw/zinc/77/36/46/398773646.db2.gz XEXLBQICTNCPCC-AAEUAGOBSA-N 2 1 308.447 2.860 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000591582988 398773767 /nfs/dbraw/zinc/77/37/67/398773767.db2.gz XEXLBQICTNCPCC-DGCLKSJQSA-N 2 1 308.447 2.860 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OC)cc2)C1 ZINC000081569412 192292960 /nfs/dbraw/zinc/29/29/60/192292960.db2.gz OUMMWGAHHHRLBZ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccc(OC)cc2)C1 ZINC000081569412 192292963 /nfs/dbraw/zinc/29/29/63/192292963.db2.gz OUMMWGAHHHRLBZ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000081569412 192292968 /nfs/dbraw/zinc/29/29/68/192292968.db2.gz OUMMWGAHHHRLBZ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000081569412 192292970 /nfs/dbraw/zinc/29/29/70/192292970.db2.gz OUMMWGAHHHRLBZ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1 ZINC000261865292 283187948 /nfs/dbraw/zinc/18/79/48/283187948.db2.gz RPTQMWFUZBWSDX-WBVHZDCISA-N 2 1 317.477 2.728 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000237070546 202142563 /nfs/dbraw/zinc/14/25/63/202142563.db2.gz ZSUNVGLHMOCKGN-SZMVWBNQSA-N 2 1 321.509 2.678 20 0 DFADMP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000123177334 398796623 /nfs/dbraw/zinc/79/66/23/398796623.db2.gz MEISYOZAJICNTM-LJQANCHMSA-N 2 1 304.478 2.954 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H](C)Cn2cccn2)c1 ZINC000139125524 283258866 /nfs/dbraw/zinc/25/88/66/283258866.db2.gz MBYHQLDMGURFDO-INIZCTEOSA-N 2 1 300.450 2.902 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cnn(C)c2C(F)(F)F)[C@H](C)C1 ZINC000151665050 283291696 /nfs/dbraw/zinc/29/16/96/283291696.db2.gz IUOLRHLRWODITO-DGCLKSJQSA-N 2 1 318.387 2.601 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCO1 ZINC000179391221 199027119 /nfs/dbraw/zinc/02/71/19/199027119.db2.gz KRIMSAXNFQKPOV-GOSISDBHSA-N 2 1 303.450 2.799 20 0 DFADMP CC(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000594511131 398813134 /nfs/dbraw/zinc/81/31/34/398813134.db2.gz BTLKDTKFXIJHNG-MRXNPFEDSA-N 2 1 310.482 2.817 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000179499804 199046258 /nfs/dbraw/zinc/04/62/58/199046258.db2.gz PBYHKPUAUSWEJO-UHFFFAOYSA-N 2 1 318.396 2.681 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccc(F)cc1 ZINC000179499804 199046260 /nfs/dbraw/zinc/04/62/60/199046260.db2.gz PBYHKPUAUSWEJO-UHFFFAOYSA-N 2 1 318.396 2.681 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000179517952 199049148 /nfs/dbraw/zinc/04/91/48/199049148.db2.gz RLSSHSGFNIFNPV-HNNXBMFYSA-N 2 1 315.461 2.693 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C)OCCO2)cc1 ZINC000179569776 199057097 /nfs/dbraw/zinc/05/70/97/199057097.db2.gz DXWXMHAWIYXKOF-ZDUSSCGKSA-N 2 1 301.390 2.594 20 0 DFADMP COc1ccccc1C[C@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000276713512 213060883 /nfs/dbraw/zinc/06/08/83/213060883.db2.gz VXNCIDMMJJWPAD-KRWDZBQOSA-N 2 1 301.434 2.828 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000129067157 398833472 /nfs/dbraw/zinc/83/34/72/398833472.db2.gz WZJLVGJYYINRRX-RYUDHWBXSA-N 2 1 306.435 2.542 20 0 DFADMP CC[N@@H+](C)CCNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180117400 199119324 /nfs/dbraw/zinc/11/93/24/199119324.db2.gz JDEDNHLNKLCKGV-YQQQUEKLSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180117400 199119325 /nfs/dbraw/zinc/11/93/25/199119325.db2.gz JDEDNHLNKLCKGV-YQQQUEKLSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+](C)CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180117400 199119327 /nfs/dbraw/zinc/11/93/27/199119327.db2.gz JDEDNHLNKLCKGV-YQQQUEKLSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1CCC[C@](C[NH2+]C2CCN(CC(F)F)CC2)([NH+](C)C)C1 ZINC000131255245 398850073 /nfs/dbraw/zinc/85/00/73/398850073.db2.gz CTGUCFLHAUSVQT-YOEHRIQHSA-N 2 1 317.468 2.816 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000468107392 299276641 /nfs/dbraw/zinc/27/66/41/299276641.db2.gz ZNLAUDGITTXZKA-QAETUUGQSA-N 2 1 323.525 2.589 20 0 DFADMP COC(=O)[C@@H]1C[C@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000594920937 398871638 /nfs/dbraw/zinc/87/16/38/398871638.db2.gz CGXSKFLZRGFMFF-FHLIZLRMSA-N 2 1 318.461 2.814 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[C@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276626475 213010157 /nfs/dbraw/zinc/01/01/57/213010157.db2.gz NBDHSZRDRBQWPE-AITUJVMLSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000180946115 199232141 /nfs/dbraw/zinc/23/21/41/199232141.db2.gz PGPFZZKCZWPNQH-QGZVFWFLSA-N 2 1 303.494 2.748 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1Cl ZINC000180979258 199236475 /nfs/dbraw/zinc/23/64/75/199236475.db2.gz IQXVISAIKNBGGE-NVXWUHKLSA-N 2 1 323.868 2.591 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000077224363 398890133 /nfs/dbraw/zinc/89/01/33/398890133.db2.gz MZEGPSXQYHTTGS-HOTGVXAUSA-N 2 1 317.481 2.633 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000077224363 398890136 /nfs/dbraw/zinc/89/01/36/398890136.db2.gz MZEGPSXQYHTTGS-HOTGVXAUSA-N 2 1 317.481 2.633 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)CSCCF)CC1 ZINC000595013905 398891889 /nfs/dbraw/zinc/89/18/89/398891889.db2.gz RINYDLCNKASSHP-CQSZACIVSA-N 2 1 306.491 2.557 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC000598985858 398903628 /nfs/dbraw/zinc/90/36/28/398903628.db2.gz BMSDTGBFHHXPOV-CQSZACIVSA-N 2 1 310.482 2.961 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCCc3ccccc3)C2)CC1 ZINC000187002423 200046510 /nfs/dbraw/zinc/04/65/10/200046510.db2.gz UPZJJRLMWDHNDL-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000187115380 200064267 /nfs/dbraw/zinc/06/42/67/200064267.db2.gz LKLKBMFRCLTYBL-HNNXBMFYSA-N 2 1 304.434 2.763 20 0 DFADMP COC(=O)CC1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000599025880 398909939 /nfs/dbraw/zinc/90/99/39/398909939.db2.gz SMAYKLMLJLIHRU-NJINODPHSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)CC1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000599025880 398909941 /nfs/dbraw/zinc/90/99/41/398909941.db2.gz SMAYKLMLJLIHRU-NJINODPHSA-N 2 1 310.482 2.818 20 0 DFADMP C[NH+]1CCC(CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187963672 200183621 /nfs/dbraw/zinc/18/36/21/200183621.db2.gz FTMZFDPPMDPFCA-QGZVFWFLSA-N 2 1 316.424 2.960 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000237516417 202268721 /nfs/dbraw/zinc/26/87/21/202268721.db2.gz ZAINGNUPLNSQCR-IRXDYDNUSA-N 2 1 321.509 2.761 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(SC)c3)C2)CC1 ZINC000595314679 398920884 /nfs/dbraw/zinc/92/08/84/398920884.db2.gz WAOWVJDKMWVXFA-QGZVFWFLSA-N 2 1 319.518 2.620 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000595311499 398921137 /nfs/dbraw/zinc/92/11/37/398921137.db2.gz HFJUNPMMJFNNOT-ROUUACIJSA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCCC3(C)C)C2)CC1 ZINC000595311497 398921196 /nfs/dbraw/zinc/92/11/96/398921196.db2.gz HFJUNPMMJFNNOT-QZTJIDSGSA-N 2 1 307.526 2.915 20 0 DFADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337063 398924397 /nfs/dbraw/zinc/92/43/97/398924397.db2.gz JJPBNPJXCHQADX-JKSUJKDBSA-N 2 1 317.468 2.768 20 0 DFADMP FC(F)COCC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000188760437 200300226 /nfs/dbraw/zinc/30/02/26/200300226.db2.gz LTLXIWDBRLAGHY-BBWFWOEESA-N 2 1 324.415 2.768 20 0 DFADMP CCc1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000189288293 200377025 /nfs/dbraw/zinc/37/70/25/200377025.db2.gz AWMSDEPBEQEJGL-UHFFFAOYSA-N 2 1 303.494 2.707 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000417357760 296013426 /nfs/dbraw/zinc/01/34/26/296013426.db2.gz SBBPOZPKWYCTJY-KRWDZBQOSA-N 2 1 315.505 2.766 20 0 DFADMP CN(C)C1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000417351446 296012806 /nfs/dbraw/zinc/01/28/06/296012806.db2.gz CPTZFKCDMIMEIG-CEXWTWQISA-N 2 1 313.489 2.581 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000417351446 296012807 /nfs/dbraw/zinc/01/28/07/296012807.db2.gz CPTZFKCDMIMEIG-CEXWTWQISA-N 2 1 313.489 2.581 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000417351446 296012808 /nfs/dbraw/zinc/01/28/08/296012808.db2.gz CPTZFKCDMIMEIG-CEXWTWQISA-N 2 1 313.489 2.581 20 0 DFADMP Cc1cnc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471831591 299309032 /nfs/dbraw/zinc/30/90/32/299309032.db2.gz FNJDUGDJKVJWKM-ICSRJNTNSA-N 2 1 324.472 2.957 20 0 DFADMP Cn1cncc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471866458 299310957 /nfs/dbraw/zinc/31/09/57/299310957.db2.gz UIJUPZRUFXXBRT-PKOBYXMFSA-N 2 1 312.461 2.592 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000599291138 398948422 /nfs/dbraw/zinc/94/84/22/398948422.db2.gz GWLRUPNQOAWCEJ-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271910443 209317346 /nfs/dbraw/zinc/31/73/46/209317346.db2.gz XWLJELNJLWKBKB-OAHLLOKOSA-N 2 1 315.461 2.818 20 0 DFADMP C[NH+]1CCC(C)(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000275839827 212566422 /nfs/dbraw/zinc/56/64/22/212566422.db2.gz JEGZOZJTDOMXFD-MRXNPFEDSA-N 2 1 316.424 2.960 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cc(C)ncn3)C1)CCCC2 ZINC000292677553 223196861 /nfs/dbraw/zinc/19/68/61/223196861.db2.gz CRGVAJHUYYALIY-INIZCTEOSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cc(C)ncn3)C1)CCCC2 ZINC000292677553 223196862 /nfs/dbraw/zinc/19/68/62/223196862.db2.gz CRGVAJHUYYALIY-INIZCTEOSA-N 2 1 311.433 2.616 20 0 DFADMP COC(=O)CCCC[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000599383114 398969425 /nfs/dbraw/zinc/96/94/25/398969425.db2.gz XNWAGGHGINHAEB-HNNXBMFYSA-N 2 1 319.449 2.660 20 0 DFADMP COC(=O)CCCC[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000599383114 398969427 /nfs/dbraw/zinc/96/94/27/398969427.db2.gz XNWAGGHGINHAEB-HNNXBMFYSA-N 2 1 319.449 2.660 20 0 DFADMP Cn1ccnc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472344772 299324424 /nfs/dbraw/zinc/32/44/24/299324424.db2.gz LSKKLEOWECOOFH-MSOLQXFVSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1ccnc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472344772 299324427 /nfs/dbraw/zinc/32/44/27/299324427.db2.gz LSKKLEOWECOOFH-MSOLQXFVSA-N 2 1 312.461 2.592 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000472471989 299326600 /nfs/dbraw/zinc/32/66/00/299326600.db2.gz SDHXCRQEDVLVCF-GOSISDBHSA-N 2 1 314.473 2.828 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000472471989 299326603 /nfs/dbraw/zinc/32/66/03/299326603.db2.gz SDHXCRQEDVLVCF-GOSISDBHSA-N 2 1 314.473 2.828 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000472471989 299326606 /nfs/dbraw/zinc/32/66/06/299326606.db2.gz SDHXCRQEDVLVCF-GOSISDBHSA-N 2 1 314.473 2.828 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000595577553 398981097 /nfs/dbraw/zinc/98/10/97/398981097.db2.gz SCGIBCFXCBCBKS-CQSZACIVSA-N 2 1 300.406 2.895 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000271865934 209279266 /nfs/dbraw/zinc/27/92/66/209279266.db2.gz LLEQZWALNBWPFF-YLJYHZDGSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271865934 209279268 /nfs/dbraw/zinc/27/92/68/209279268.db2.gz LLEQZWALNBWPFF-YLJYHZDGSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271865934 209279270 /nfs/dbraw/zinc/27/92/70/209279270.db2.gz LLEQZWALNBWPFF-YLJYHZDGSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271865934 209279272 /nfs/dbraw/zinc/27/92/72/209279272.db2.gz LLEQZWALNBWPFF-YLJYHZDGSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271865934 209279275 /nfs/dbraw/zinc/27/92/75/209279275.db2.gz LLEQZWALNBWPFF-YLJYHZDGSA-N 2 1 313.489 2.749 20 0 DFADMP Cc1ccc(C)c(NC(=O)CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292881419 223290158 /nfs/dbraw/zinc/29/01/58/223290158.db2.gz FACFNJZCZQRYBJ-LJQANCHMSA-N 2 1 315.461 2.660 20 0 DFADMP [NH2+]=C(NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CCCC1 ZINC000194611516 201262898 /nfs/dbraw/zinc/26/28/98/201262898.db2.gz XBRKIJOVLGATHS-QGZVFWFLSA-N 2 1 314.477 2.608 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)[C@H](C)C1 ZINC000417801893 296052402 /nfs/dbraw/zinc/05/24/02/296052402.db2.gz ZVMVFFQDVRYBFZ-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)[C@H](C)C1 ZINC000417801893 296052404 /nfs/dbraw/zinc/05/24/04/296052404.db2.gz ZVMVFFQDVRYBFZ-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)[C@H](C)C1 ZINC000417801893 296052406 /nfs/dbraw/zinc/05/24/06/296052406.db2.gz ZVMVFFQDVRYBFZ-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)[C@H](C)C1 ZINC000417801893 296052407 /nfs/dbraw/zinc/05/24/07/296052407.db2.gz ZVMVFFQDVRYBFZ-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796559 296051887 /nfs/dbraw/zinc/05/18/87/296051887.db2.gz SKJSCPZQCLXNOG-NVXWUHKLSA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796559 296051889 /nfs/dbraw/zinc/05/18/89/296051889.db2.gz SKJSCPZQCLXNOG-NVXWUHKLSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796559 296051890 /nfs/dbraw/zinc/05/18/90/296051890.db2.gz SKJSCPZQCLXNOG-NVXWUHKLSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796559 296051893 /nfs/dbraw/zinc/05/18/93/296051893.db2.gz SKJSCPZQCLXNOG-NVXWUHKLSA-N 2 1 317.477 2.693 20 0 DFADMP CC1CC[NH+](CCC[NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417846499 296057594 /nfs/dbraw/zinc/05/75/94/296057594.db2.gz SMEKTZPLAXXQJR-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417853396 296058179 /nfs/dbraw/zinc/05/81/79/296058179.db2.gz FWEFKGICVZCVKX-UHFFFAOYSA-N 2 1 317.477 2.598 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)n(C)n1 ZINC000417877288 296060223 /nfs/dbraw/zinc/06/02/23/296060223.db2.gz NVDHABQJROKXBE-OAHLLOKOSA-N 2 1 318.490 2.792 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)n(C)n1 ZINC000417877288 296060225 /nfs/dbraw/zinc/06/02/25/296060225.db2.gz NVDHABQJROKXBE-OAHLLOKOSA-N 2 1 318.490 2.792 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642338 399007891 /nfs/dbraw/zinc/00/78/91/399007891.db2.gz KVPNYCGMSXUXOS-IRXDYDNUSA-N 2 1 309.498 2.537 20 0 DFADMP CCn1nncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417951222 296065781 /nfs/dbraw/zinc/06/57/81/296065781.db2.gz YHBNDMHKFATJDV-CZUORRHYSA-N 2 1 319.478 2.532 20 0 DFADMP CCn1nncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417951222 296065782 /nfs/dbraw/zinc/06/57/82/296065782.db2.gz YHBNDMHKFATJDV-CZUORRHYSA-N 2 1 319.478 2.532 20 0 DFADMP CC[N@@H+](CCCNC(=O)CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000621666248 399016241 /nfs/dbraw/zinc/01/62/41/399016241.db2.gz NGJVKUDDMODUAB-KRWDZBQOSA-N 2 1 323.525 2.927 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000475925072 299351009 /nfs/dbraw/zinc/35/10/09/299351009.db2.gz FHMYSUUZLQNAAP-HOTGVXAUSA-N 2 1 311.514 2.924 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418143978 296080658 /nfs/dbraw/zinc/08/06/58/296080658.db2.gz RQZWHSGIRBBWIY-NVXWUHKLSA-N 2 1 324.513 2.600 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418143980 296080753 /nfs/dbraw/zinc/08/07/53/296080753.db2.gz RQZWHSGIRBBWIY-WBVHZDCISA-N 2 1 324.513 2.600 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)c(C)n2n1 ZINC000091733587 193099389 /nfs/dbraw/zinc/09/93/89/193099389.db2.gz PWXUKXOOAGUMFJ-KBMXLJTQSA-N 2 1 315.465 2.870 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043036 193146419 /nfs/dbraw/zinc/14/64/19/193146419.db2.gz JOUUPFZZIBRAAP-ZBFHGGJFSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043036 193146420 /nfs/dbraw/zinc/14/64/20/193146420.db2.gz JOUUPFZZIBRAAP-ZBFHGGJFSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043036 193146421 /nfs/dbraw/zinc/14/64/21/193146421.db2.gz JOUUPFZZIBRAAP-ZBFHGGJFSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043036 193146422 /nfs/dbraw/zinc/14/64/22/193146422.db2.gz JOUUPFZZIBRAAP-ZBFHGGJFSA-N 2 1 322.522 2.905 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC(C)(C)O ZINC000079443178 399045758 /nfs/dbraw/zinc/04/57/58/399045758.db2.gz FQKZKSWBWIUOMM-WMZOPIPTSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC(C)(C)O ZINC000079443178 399045760 /nfs/dbraw/zinc/04/57/60/399045760.db2.gz FQKZKSWBWIUOMM-WMZOPIPTSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC(C)(C)O ZINC000079443178 399045764 /nfs/dbraw/zinc/04/57/64/399045764.db2.gz FQKZKSWBWIUOMM-WMZOPIPTSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC(C)(C)O ZINC000079443178 399045766 /nfs/dbraw/zinc/04/57/66/399045766.db2.gz FQKZKSWBWIUOMM-WMZOPIPTSA-N 2 1 304.478 2.990 20 0 DFADMP CCOc1cncc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000621719278 399046018 /nfs/dbraw/zinc/04/60/18/399046018.db2.gz HPXVSYPPGBRDPP-LPHOPBHVSA-N 2 1 315.461 2.929 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C(C)C)o1 ZINC000606338881 399055694 /nfs/dbraw/zinc/05/56/94/399055694.db2.gz OVGABOOFUSCCGE-INIZCTEOSA-N 2 1 321.465 2.534 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)o1 ZINC000606338881 399055698 /nfs/dbraw/zinc/05/56/98/399055698.db2.gz OVGABOOFUSCCGE-INIZCTEOSA-N 2 1 321.465 2.534 20 0 DFADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000606364623 399059900 /nfs/dbraw/zinc/05/99/00/399059900.db2.gz DBYAILRTFUWCOA-SFHVURJKSA-N 2 1 317.477 2.581 20 0 DFADMP COC(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@@H]2CCCC[C@H]12 ZINC000595735285 399063392 /nfs/dbraw/zinc/06/33/92/399063392.db2.gz WLHQBRBLOBALFC-BRWVUGGUSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@@H]2CCCC[C@H]12 ZINC000595735285 399063393 /nfs/dbraw/zinc/06/33/93/399063393.db2.gz WLHQBRBLOBALFC-BRWVUGGUSA-N 2 1 319.449 2.635 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@H]21 ZINC000595735070 399061883 /nfs/dbraw/zinc/06/18/83/399061883.db2.gz VKANTFAMCQMWEM-IXDOHACOSA-N 2 1 310.482 2.772 20 0 DFADMP Cc1noc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844090 399065813 /nfs/dbraw/zinc/06/58/13/399065813.db2.gz WRVZJICNVOKFFP-UHFFFAOYSA-N 2 1 314.433 2.722 20 0 DFADMP Cc1noc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)n1 ZINC000057844090 399065822 /nfs/dbraw/zinc/06/58/22/399065822.db2.gz WRVZJICNVOKFFP-UHFFFAOYSA-N 2 1 314.433 2.722 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000271774833 209203884 /nfs/dbraw/zinc/20/38/84/209203884.db2.gz COMDGJBEGOKPLN-OXQOHEQNSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280797352 283977149 /nfs/dbraw/zinc/97/71/49/283977149.db2.gz GYNXCABQPXVGEV-NVXWUHKLSA-N 2 1 316.424 2.974 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCCn3ccnc3)C1)CCCC2 ZINC000275250822 212224807 /nfs/dbraw/zinc/22/48/07/212224807.db2.gz GQKSUOKKOJHBPR-INIZCTEOSA-N 2 1 313.449 2.604 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCCn3ccnc3)C1)CCCC2 ZINC000275250822 212224810 /nfs/dbraw/zinc/22/48/10/212224810.db2.gz GQKSUOKKOJHBPR-INIZCTEOSA-N 2 1 313.449 2.604 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCSCC1 ZINC000253232617 296121828 /nfs/dbraw/zinc/12/18/28/296121828.db2.gz FYKVXWGFWMCCDS-OWCLPIDISA-N 2 1 314.539 2.997 20 0 DFADMP CC(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000338459890 284116575 /nfs/dbraw/zinc/11/65/75/284116575.db2.gz TWOGKBQSCMSJAZ-RBUKOAKNSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000338459890 284116579 /nfs/dbraw/zinc/11/65/79/284116579.db2.gz TWOGKBQSCMSJAZ-RBUKOAKNSA-N 2 1 304.478 2.895 20 0 DFADMP COC1(C(F)(F)F)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000419327456 296134746 /nfs/dbraw/zinc/13/47/46/296134746.db2.gz MQSCQRALHUVKIP-CYBMUJFWSA-N 2 1 308.388 2.904 20 0 DFADMP COC1(C(F)(F)F)CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000419327456 296134748 /nfs/dbraw/zinc/13/47/48/296134748.db2.gz MQSCQRALHUVKIP-CYBMUJFWSA-N 2 1 308.388 2.904 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000481722825 299399176 /nfs/dbraw/zinc/39/91/76/299399176.db2.gz ZAZQSZFTKYLTMP-DOMZBBRYSA-N 2 1 311.267 2.921 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([C@@H]4C[C@@H]4C)o3)C2)CC1 ZINC000093133062 193205027 /nfs/dbraw/zinc/20/50/27/193205027.db2.gz DBUIAVPDDYKEAB-LZLYRXPVSA-N 2 1 317.477 2.615 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC(CC[NH2+]C)CC1)c1ccccc1 ZINC000262057991 203185834 /nfs/dbraw/zinc/18/58/34/203185834.db2.gz NMJSNFKLETZFKH-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000482163443 299400781 /nfs/dbraw/zinc/40/07/81/299400781.db2.gz LNOBEZKRBSZILS-NVXWUHKLSA-N 2 1 309.498 2.535 20 0 DFADMP Cc1cccnc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000093170962 193210877 /nfs/dbraw/zinc/21/08/77/193210877.db2.gz LPZGCICKHSUFIN-CALCHBBNSA-N 2 1 317.477 2.711 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340200972 284160535 /nfs/dbraw/zinc/16/05/35/284160535.db2.gz HGAHRNKVXYBBRJ-CABCVRRESA-N 2 1 316.367 2.990 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340200972 284160537 /nfs/dbraw/zinc/16/05/37/284160537.db2.gz HGAHRNKVXYBBRJ-CABCVRRESA-N 2 1 316.367 2.990 20 0 DFADMP COc1ccc(COCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901563 399123669 /nfs/dbraw/zinc/12/36/69/399123669.db2.gz ZWGONBQMWUOXHF-GOSISDBHSA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901563 399123676 /nfs/dbraw/zinc/12/36/76/399123676.db2.gz ZWGONBQMWUOXHF-GOSISDBHSA-N 2 1 318.461 2.630 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nccs1 ZINC000093399084 193244678 /nfs/dbraw/zinc/24/46/78/193244678.db2.gz RMIGIFIWEPNURB-ZDUSSCGKSA-N 2 1 305.447 2.934 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000093639012 193279201 /nfs/dbraw/zinc/27/92/01/193279201.db2.gz XBWVTBGBQMJKTP-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP COCCOc1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597966 193272105 /nfs/dbraw/zinc/27/21/05/193272105.db2.gz PAUOBRBSDCXQSO-QGZVFWFLSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000093597966 193272106 /nfs/dbraw/zinc/27/21/06/193272106.db2.gz PAUOBRBSDCXQSO-QGZVFWFLSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597171 193272128 /nfs/dbraw/zinc/27/21/28/193272128.db2.gz GOLFMSCARAIBBB-GOSISDBHSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000093597171 193272129 /nfs/dbraw/zinc/27/21/29/193272129.db2.gz GOLFMSCARAIBBB-GOSISDBHSA-N 2 1 318.461 2.630 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000093639012 193279197 /nfs/dbraw/zinc/27/91/97/193279197.db2.gz XBWVTBGBQMJKTP-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000093639012 193279199 /nfs/dbraw/zinc/27/91/99/193279199.db2.gz XBWVTBGBQMJKTP-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1N(C)C ZINC000093944996 193331410 /nfs/dbraw/zinc/33/14/10/193331410.db2.gz MUNJWBAFYNROGS-DLBZAZTESA-N 2 1 319.493 2.640 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCSCc2ccccc2)CCO1 ZINC000595905495 399129232 /nfs/dbraw/zinc/12/92/32/399129232.db2.gz DENAWJBTYYYMRO-GOSISDBHSA-N 2 1 322.518 2.962 20 0 DFADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340525394 284188930 /nfs/dbraw/zinc/18/89/30/284188930.db2.gz IYHNXOKQOJZLJJ-QGZVFWFLSA-N 2 1 319.493 2.553 20 0 DFADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@@H]([NH3+])C1 ZINC000420138561 296159342 /nfs/dbraw/zinc/15/93/42/296159342.db2.gz FSWSISIAKCBHCL-CYBMUJFWSA-N 2 1 313.401 2.566 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274913338 212027762 /nfs/dbraw/zinc/02/77/62/212027762.db2.gz NPRIQUZRTWLXAQ-ZIFCJYIRSA-N 2 1 312.461 2.772 20 0 DFADMP [NH3+]C[C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000420159094 296159931 /nfs/dbraw/zinc/15/99/31/296159931.db2.gz CWPWXWCDZYEXAN-SNVBAGLBSA-N 2 1 306.207 2.782 20 0 DFADMP C[C@H]1C[NH2+]CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000420163199 296160102 /nfs/dbraw/zinc/16/01/02/296160102.db2.gz DZZPPNDZHXKINE-JTQLQIEISA-N 2 1 306.207 2.795 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccccc2)C2CC2)CC1(C)C ZINC000282455896 217008150 /nfs/dbraw/zinc/00/81/50/217008150.db2.gz VHQOEPJIXGAGIE-GOSISDBHSA-N 2 1 301.478 2.753 20 0 DFADMP Brc1ccc2[nH+]ccc(N[C@@H]3CCC[NH2+]C3)c2c1 ZINC000420191643 296161425 /nfs/dbraw/zinc/16/14/25/296161425.db2.gz XOWABMHIXUJQNC-LLVKDONJSA-N 2 1 306.207 2.583 20 0 DFADMP C[C@@H]1[C@H]([NH3+])CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000420247207 296165395 /nfs/dbraw/zinc/16/53/95/296165395.db2.gz GRPQUTXYJYGVOS-BXKDBHETSA-N 2 1 306.207 2.923 20 0 DFADMP Fc1cc2[nH+]ccc(NC[C@@H]3C[NH2+]CCCO3)c2cc1Cl ZINC000420265839 296167196 /nfs/dbraw/zinc/16/71/96/296167196.db2.gz FICROCVAHUKQPG-JTQLQIEISA-N 2 1 309.772 2.818 20 0 DFADMP Brc1c[nH+]ccc1N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420268857 296167643 /nfs/dbraw/zinc/16/76/43/296167643.db2.gz XUXZLPPATIJYHD-GFCCVEGCSA-N 2 1 310.239 2.670 20 0 DFADMP FC1(F)CNCC[C@@H]1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000420285175 296169308 /nfs/dbraw/zinc/16/93/08/296169308.db2.gz OZIDVPWBJPDHHF-SNVBAGLBSA-N 2 1 311.763 2.967 20 0 DFADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420293838 296170586 /nfs/dbraw/zinc/17/05/86/296170586.db2.gz ANYBLMDCZVIABX-JKSUJKDBSA-N 2 1 303.450 2.725 20 0 DFADMP CC[C@H](C)[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420297093 296170880 /nfs/dbraw/zinc/17/08/80/296170880.db2.gz FJHDOEWYHSRVQM-QXGSTGNESA-N 2 1 304.478 2.816 20 0 DFADMP CC[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420297093 296170881 /nfs/dbraw/zinc/17/08/81/296170881.db2.gz FJHDOEWYHSRVQM-QXGSTGNESA-N 2 1 304.478 2.816 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000420296421 296171074 /nfs/dbraw/zinc/17/10/74/296171074.db2.gz DMVZGNGGBFWMGO-RDJZCZTQSA-N 2 1 308.491 2.811 20 0 DFADMP Clc1ccc(CN2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000420296053 296171094 /nfs/dbraw/zinc/17/10/94/296171094.db2.gz CYCMYLHNUZKLMH-INIZCTEOSA-N 2 1 321.896 2.847 20 0 DFADMP FC(F)(F)c1cc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000420302110 296171614 /nfs/dbraw/zinc/17/16/14/296171614.db2.gz MDDHSAQJNYOOKK-RYUDHWBXSA-N 2 1 316.371 2.608 20 0 DFADMP Cc1cccc([C@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)c1C ZINC000420300826 296171688 /nfs/dbraw/zinc/17/16/88/296171688.db2.gz KRZRGGHOMMHMIN-LJQANCHMSA-N 2 1 301.478 2.736 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)ccc2o1 ZINC000420304283 296172153 /nfs/dbraw/zinc/17/21/53/296172153.db2.gz DXCDLKFBKVZKBR-OAHLLOKOSA-N 2 1 316.401 2.793 20 0 DFADMP Brc1cccc2c1CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000420303459 296172185 /nfs/dbraw/zinc/17/21/85/296172185.db2.gz NLKHDGOGHRSRTG-GFCCVEGCSA-N 2 1 309.251 2.807 20 0 DFADMP c1ccc(CCCO[C@@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420309032 296172928 /nfs/dbraw/zinc/17/29/28/296172928.db2.gz STXNYZSYOOHPIM-RBUKOAKNSA-N 2 1 302.462 2.710 20 0 DFADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420304219 296172281 /nfs/dbraw/zinc/17/22/81/296172281.db2.gz LGMVKKCVIBTQKE-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP C(CN1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420311110 296173363 /nfs/dbraw/zinc/17/33/63/296173363.db2.gz GUNKVUNMSFREOM-SFHVURJKSA-N 2 1 307.526 2.964 20 0 DFADMP C(C[N@@H+]1CCCN(CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420311110 296173365 /nfs/dbraw/zinc/17/33/65/296173365.db2.gz GUNKVUNMSFREOM-SFHVURJKSA-N 2 1 307.526 2.964 20 0 DFADMP C(C[N@H+]1CCCN(CC2CCCCC2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000420311110 296173367 /nfs/dbraw/zinc/17/33/67/296173367.db2.gz GUNKVUNMSFREOM-SFHVURJKSA-N 2 1 307.526 2.964 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000420312669 296173772 /nfs/dbraw/zinc/17/37/72/296173772.db2.gz ORNRKOIENBZWPL-CYBMUJFWSA-N 2 1 320.387 2.711 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315122 296173893 /nfs/dbraw/zinc/17/38/93/296173893.db2.gz ZRLRVCVQJLECSW-SEVLPDGMSA-N 2 1 324.468 2.795 20 0 DFADMP c1cc(C[N@H+](CC[C@@H]2CC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420309520 296173009 /nfs/dbraw/zinc/17/30/09/296173009.db2.gz LNNUSNOQNHAVGX-RDJZCZTQSA-N 3 1 319.518 2.692 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000420317864 296173989 /nfs/dbraw/zinc/17/39/89/296173989.db2.gz NHCJCKZSALFSIZ-LSDHHAIUSA-N 2 1 321.431 2.582 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cccc(OC)c2)cc1 ZINC000420319484 296174355 /nfs/dbraw/zinc/17/43/55/296174355.db2.gz PPOYZAVQWTZVSY-QGZVFWFLSA-N 2 1 314.429 2.878 20 0 DFADMP CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420320007 296174637 /nfs/dbraw/zinc/17/46/37/296174637.db2.gz PZHJAYVXFKRPAP-OAHLLOKOSA-N 2 1 318.461 2.842 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000420321786 296174988 /nfs/dbraw/zinc/17/49/88/296174988.db2.gz RRVWRQHMUUNIAV-GOSISDBHSA-N 3 1 315.505 2.830 20 0 DFADMP COc1ccc([C@@H](C)C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1 ZINC000271744220 209174500 /nfs/dbraw/zinc/17/45/00/209174500.db2.gz AOKOJWZUBFBSGC-INIZCTEOSA-N 2 1 320.477 2.577 20 0 DFADMP COc1ccc([C@@H](C)C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000271744220 209174503 /nfs/dbraw/zinc/17/45/03/209174503.db2.gz AOKOJWZUBFBSGC-INIZCTEOSA-N 2 1 320.477 2.577 20 0 DFADMP CSc1ccccc1NC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420325930 296175537 /nfs/dbraw/zinc/17/55/37/296175537.db2.gz WXIMWMSPGURGGA-AWEZNQCLSA-N 2 1 321.490 2.669 20 0 DFADMP O=C(C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc2ccccc21 ZINC000420331687 296176363 /nfs/dbraw/zinc/17/63/63/296176363.db2.gz IUUCKKKWBNHCTA-CALCHBBNSA-N 2 1 323.440 2.710 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334288 296176670 /nfs/dbraw/zinc/17/66/70/296176670.db2.gz GCSXYCNZMHAEOP-BBWFWOEESA-N 2 1 315.461 2.644 20 0 DFADMP C[C@@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327072 296175776 /nfs/dbraw/zinc/17/57/76/296175776.db2.gz CTVVITYQQSMKEM-RWMBFGLXSA-N 2 1 318.446 2.791 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420326847 296175797 /nfs/dbraw/zinc/17/57/97/296175797.db2.gz XXJIOFYMEUVELM-HOTGVXAUSA-N 2 1 313.449 2.650 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335894 296177173 /nfs/dbraw/zinc/17/71/73/296177173.db2.gz IANLZZKOLVBYLM-BZSNNMDCSA-N 2 1 323.525 2.639 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420339552 296177414 /nfs/dbraw/zinc/17/74/14/296177414.db2.gz LZTGAHCPSZEALV-IRXDYDNUSA-N 2 1 315.461 2.563 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339037 296177496 /nfs/dbraw/zinc/17/74/96/296177496.db2.gz LOJRAVKFPJEMQI-IAGOWNOFSA-N 2 1 315.461 2.563 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335581 296176797 /nfs/dbraw/zinc/17/67/97/296176797.db2.gz LRDZOETXFZBPEV-MELADBBJSA-N 2 1 321.852 2.598 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345389 296178022 /nfs/dbraw/zinc/17/80/22/296178022.db2.gz WCFIHRKKEYPJPS-DLBZAZTESA-N 2 1 315.461 2.563 20 0 DFADMP Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c(C[NH+](C)C)c1 ZINC000080669204 399168206 /nfs/dbraw/zinc/16/82/06/399168206.db2.gz LALITOIJDCLSEN-SJORKVTESA-N 2 1 315.461 2.870 20 0 DFADMP Cc1nc(C(F)(F)F)c(C[NH2+][C@H]2CC[NH2+]CC2(C)C)s1 ZINC000420352563 296178835 /nfs/dbraw/zinc/17/88/35/296178835.db2.gz ASEIYLVFGXSVDA-JTQLQIEISA-N 2 1 307.385 2.948 20 0 DFADMP c1coc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420345995 296178195 /nfs/dbraw/zinc/17/81/95/296178195.db2.gz WZQAPXOESOHDBQ-ZIAGYGMSSA-N 2 1 301.390 2.756 20 0 DFADMP CCCCc1noc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420346541 296178537 /nfs/dbraw/zinc/17/85/37/296178537.db2.gz YPKXPWFNMQWFPW-ZFWWWQNUSA-N 2 1 306.454 2.937 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000420354746 296179236 /nfs/dbraw/zinc/17/92/36/296179236.db2.gz DFDRADMGTYDFBB-ZFWWWQNUSA-N 2 1 319.474 2.930 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000420352958 296178897 /nfs/dbraw/zinc/17/88/97/296178897.db2.gz BBSNCFLEPKDHKT-INIZCTEOSA-N 2 1 311.429 2.797 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000420352958 296178898 /nfs/dbraw/zinc/17/88/98/296178898.db2.gz BBSNCFLEPKDHKT-INIZCTEOSA-N 2 1 311.429 2.797 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([S@@](C)=O)CC1 ZINC000282525731 217061881 /nfs/dbraw/zinc/06/18/81/217061881.db2.gz YNJJLZCISBIATH-JOCHJYFZSA-N 2 1 322.518 2.645 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([S@@](C)=O)CC1 ZINC000282525731 217061884 /nfs/dbraw/zinc/06/18/84/217061884.db2.gz YNJJLZCISBIATH-JOCHJYFZSA-N 2 1 322.518 2.645 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420357137 296179603 /nfs/dbraw/zinc/17/96/03/296179603.db2.gz DDQLHZBGUCVEPN-CPUCHLNUSA-N 2 1 314.433 2.645 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000420358566 296179664 /nfs/dbraw/zinc/17/96/64/296179664.db2.gz JQSNOORPQXDTEJ-QGZVFWFLSA-N 2 1 314.404 2.935 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000420358566 296179665 /nfs/dbraw/zinc/17/96/65/296179665.db2.gz JQSNOORPQXDTEJ-QGZVFWFLSA-N 2 1 314.404 2.935 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC2(CCCC2)C1 ZINC000420365403 296180621 /nfs/dbraw/zinc/18/06/21/296180621.db2.gz SBLMNWKCNYNUQN-ROUUACIJSA-N 2 1 302.462 2.574 20 0 DFADMP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420365589 296180673 /nfs/dbraw/zinc/18/06/73/296180673.db2.gz FAFRZOSEKMDHGE-DLBZAZTESA-N 2 1 312.461 2.890 20 0 DFADMP CCC[C@H](NC(=O)C[NH2+][C@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420365958 296180685 /nfs/dbraw/zinc/18/06/85/296180685.db2.gz QPCQGXBULZSHJQ-IRXDYDNUSA-N 2 1 317.477 2.622 20 0 DFADMP c1nc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000420362120 296180223 /nfs/dbraw/zinc/18/02/23/296180223.db2.gz AHRHMWXQYIPLPB-SJORKVTESA-N 2 1 316.493 2.789 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000420365747 296180805 /nfs/dbraw/zinc/18/08/05/296180805.db2.gz LLOGIYJKFXZZIW-WQGACYEGSA-N 2 1 309.841 2.645 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000420367460 296181162 /nfs/dbraw/zinc/18/11/62/296181162.db2.gz SGGCVQZYNCMPIU-CYBMUJFWSA-N 2 1 315.255 2.791 20 0 DFADMP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420374492 296182158 /nfs/dbraw/zinc/18/21/58/296182158.db2.gz NTSQYBYYYFFJBF-CHWSQXEVSA-N 2 1 316.371 2.538 20 0 DFADMP CC(C)c1nc(C2([NH2+]CCC3CC[NH2+]CC3)CCCC2)no1 ZINC000420376788 296182799 /nfs/dbraw/zinc/18/27/99/296182799.db2.gz RLKSPNCNSQSKPD-UHFFFAOYSA-N 2 1 306.454 2.942 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)c1OC ZINC000342061007 284318399 /nfs/dbraw/zinc/31/83/99/284318399.db2.gz NPGXNHBPAVAXIG-UHFFFAOYSA-N 2 1 318.461 2.976 20 0 DFADMP C[C@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000420385235 296184311 /nfs/dbraw/zinc/18/43/11/296184311.db2.gz SPSRTVKPQJXXFF-HOCLYGCPSA-N 2 1 314.433 2.586 20 0 DFADMP CCCc1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000420390261 296184829 /nfs/dbraw/zinc/18/48/29/296184829.db2.gz ZFKLNKYLXPZXKZ-NVXWUHKLSA-N 2 1 323.506 2.814 20 0 DFADMP c1cc(CC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390172 296184854 /nfs/dbraw/zinc/18/48/54/296184854.db2.gz HYQIYNQMLALTQN-QZTJIDSGSA-N 2 1 300.446 2.628 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000282703934 217188918 /nfs/dbraw/zinc/18/89/18/217188918.db2.gz QGHMEHJPFBKZGO-UHFFFAOYSA-N 2 1 315.465 2.562 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420395232 296185618 /nfs/dbraw/zinc/18/56/18/296185618.db2.gz DEUWYVKTZMLAOZ-OLZOCXBDSA-N 2 1 309.841 2.585 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420412579 296187657 /nfs/dbraw/zinc/18/76/57/296187657.db2.gz ZJORCTYQGCKZOO-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP C[C@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000420413166 296188042 /nfs/dbraw/zinc/18/80/42/296188042.db2.gz STAOYXBCMNVCIO-RYUDHWBXSA-N 2 1 300.805 2.775 20 0 DFADMP C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000420413166 296188043 /nfs/dbraw/zinc/18/80/43/296188043.db2.gz STAOYXBCMNVCIO-RYUDHWBXSA-N 2 1 300.805 2.775 20 0 DFADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282788105 217251678 /nfs/dbraw/zinc/25/16/78/217251678.db2.gz YIOPOVQBXNNQSB-OAHLLOKOSA-N 2 1 323.912 2.887 20 0 DFADMP C(=C\c1ccncc1)\C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000486991655 299436703 /nfs/dbraw/zinc/43/67/03/299436703.db2.gz XHDCPLGRCOKIGT-ARJAWSKDSA-N 2 1 323.440 2.717 20 0 DFADMP COc1ccc(COCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000607739681 399190804 /nfs/dbraw/zinc/19/08/04/399190804.db2.gz VTKMLILLWAHQST-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000607739681 399190807 /nfs/dbraw/zinc/19/08/07/399190807.db2.gz VTKMLILLWAHQST-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000607739681 399190811 /nfs/dbraw/zinc/19/08/11/399190811.db2.gz VTKMLILLWAHQST-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000607739681 399190814 /nfs/dbraw/zinc/19/08/14/399190814.db2.gz VTKMLILLWAHQST-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000600996886 399198660 /nfs/dbraw/zinc/19/86/60/399198660.db2.gz LZQPHEFACQVGIN-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP CC(C)C[N@@H+]1CC[C@H](CNc2cc[nH+]cc2Br)C1 ZINC000342543508 284365504 /nfs/dbraw/zinc/36/55/04/284365504.db2.gz PGQJVWVPXCUNID-GFCCVEGCSA-N 2 1 312.255 2.656 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]cc2Br)C1 ZINC000342543508 284365505 /nfs/dbraw/zinc/36/55/05/284365505.db2.gz PGQJVWVPXCUNID-GFCCVEGCSA-N 2 1 312.255 2.656 20 0 DFADMP CC(C)[N@@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000063782492 399207798 /nfs/dbraw/zinc/20/77/98/399207798.db2.gz OMXDFCVZIQEWHP-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000614331280 399210008 /nfs/dbraw/zinc/21/00/08/399210008.db2.gz PJXYWLCHEVHXIG-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000614331280 399210011 /nfs/dbraw/zinc/21/00/11/399210011.db2.gz PJXYWLCHEVHXIG-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1C[NH+](C)CCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000614331280 399210013 /nfs/dbraw/zinc/21/00/13/399210013.db2.gz PJXYWLCHEVHXIG-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n1-c1ccccc1 ZINC000081292617 399223177 /nfs/dbraw/zinc/22/31/77/399223177.db2.gz ZUFLGFWQXIUQIR-INIZCTEOSA-N 2 1 310.445 2.755 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n1-c1ccccc1 ZINC000081292617 399223182 /nfs/dbraw/zinc/22/31/82/399223182.db2.gz ZUFLGFWQXIUQIR-INIZCTEOSA-N 2 1 310.445 2.755 20 0 DFADMP Cc1ncc(C[NH2+]CC(C)(C)C[NH+](C)C)n1-c1ccccc1 ZINC000081292493 399223800 /nfs/dbraw/zinc/22/38/00/399223800.db2.gz WWOGUXGFSOARKS-UHFFFAOYSA-N 2 1 300.450 2.858 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420903600 296210399 /nfs/dbraw/zinc/21/03/99/296210399.db2.gz BDUSGOXLEWTZKY-GOSISDBHSA-N 2 1 320.502 2.846 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420903600 296210401 /nfs/dbraw/zinc/21/04/01/296210401.db2.gz BDUSGOXLEWTZKY-GOSISDBHSA-N 2 1 320.502 2.846 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000420921739 296212739 /nfs/dbraw/zinc/21/27/39/296212739.db2.gz MIUKPFKBJRTJPG-RTBURBONSA-N 2 1 300.446 2.893 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H]2CCC[C@H]21 ZINC000420921739 296212740 /nfs/dbraw/zinc/21/27/40/296212740.db2.gz MIUKPFKBJRTJPG-RTBURBONSA-N 2 1 300.446 2.893 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000608061168 399230017 /nfs/dbraw/zinc/23/00/17/399230017.db2.gz BYVOWYCAOPGVIC-BBRMVZONSA-N 2 1 314.433 2.658 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000608061171 399230066 /nfs/dbraw/zinc/23/00/66/399230066.db2.gz BYVOWYCAOPGVIC-XJKSGUPXSA-N 2 1 314.433 2.658 20 0 DFADMP COC[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961214 296218147 /nfs/dbraw/zinc/21/81/47/296218147.db2.gz HYJINRFKFFBXMX-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP COC[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961214 296218148 /nfs/dbraw/zinc/21/81/48/296218148.db2.gz HYJINRFKFFBXMX-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CC1=C[C@H](C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420966501 296218786 /nfs/dbraw/zinc/21/87/86/296218786.db2.gz QYQOMHSFEYPVSQ-INIZCTEOSA-N 2 1 300.446 2.917 20 0 DFADMP CC1=C[C@H](C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420966501 296218788 /nfs/dbraw/zinc/21/87/88/296218788.db2.gz QYQOMHSFEYPVSQ-INIZCTEOSA-N 2 1 300.446 2.917 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421027273 296227963 /nfs/dbraw/zinc/22/79/63/296227963.db2.gz SWHXVEYWIAKRQE-ZBFHGGJFSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421027273 296227964 /nfs/dbraw/zinc/22/79/64/296227964.db2.gz SWHXVEYWIAKRQE-ZBFHGGJFSA-N 2 1 321.465 2.881 20 0 DFADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119947 296229753 /nfs/dbraw/zinc/22/97/53/296229753.db2.gz RJMLMTQIKJSAPW-WCFLWFBJSA-N 2 1 300.324 2.797 20 0 DFADMP CC(C)[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000682039600 545782233 /nfs/dbraw/zinc/78/22/33/545782233.db2.gz HZTHHMRMRAGYBK-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000682039600 545782238 /nfs/dbraw/zinc/78/22/38/545782238.db2.gz HZTHHMRMRAGYBK-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP COc1cc(C[NH2+]CCC[NH+]2CCCC2)cc(Cl)c1OC ZINC000035015764 182747641 /nfs/dbraw/zinc/74/76/41/182747641.db2.gz FFUQOZUTIJDTDT-UHFFFAOYSA-N 2 1 312.841 2.933 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618997862 399274517 /nfs/dbraw/zinc/27/45/17/399274517.db2.gz ZGKGPARAPTUKKQ-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CC23CCSCC3)s1 ZINC000421390789 296251990 /nfs/dbraw/zinc/25/19/90/296251990.db2.gz VEWHYCFACFSROR-GFCCVEGCSA-N 2 1 311.520 2.828 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCc4ccccc43)C2)CC1 ZINC000614962607 399286035 /nfs/dbraw/zinc/28/60/35/399286035.db2.gz LQOGOWROLSRVHM-QUCCMNQESA-N 2 1 313.489 2.774 20 0 DFADMP CC(C)C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000608746455 399291930 /nfs/dbraw/zinc/29/19/30/399291930.db2.gz XCKZJSXRCWBLCW-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000608746455 399291933 /nfs/dbraw/zinc/29/19/33/399291933.db2.gz XCKZJSXRCWBLCW-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000608746455 399291935 /nfs/dbraw/zinc/29/19/35/399291935.db2.gz XCKZJSXRCWBLCW-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000608746455 399291938 /nfs/dbraw/zinc/29/19/38/399291938.db2.gz XCKZJSXRCWBLCW-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000623086887 399324830 /nfs/dbraw/zinc/32/48/30/399324830.db2.gz PRSIKZYUVXXWLJ-UHFFFAOYSA-N 2 1 322.412 2.726 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000421879457 296278433 /nfs/dbraw/zinc/27/84/33/296278433.db2.gz NEWDAWXDVLQENE-HNAYVOBHSA-N 2 1 319.493 2.925 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284400168 218010485 /nfs/dbraw/zinc/01/04/85/218010485.db2.gz PSTUONBXGRSYHG-CYBMUJFWSA-N 2 1 301.438 2.705 20 0 DFADMP C[C@H]([NH2+]CCC1(O)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284410762 218016726 /nfs/dbraw/zinc/01/67/26/218016726.db2.gz QLDQZMURVOMSOZ-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP CCOc1ccc([C@@H](COC)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000284654213 218117870 /nfs/dbraw/zinc/11/78/70/218117870.db2.gz FKZGWISGDGEHSE-GOSISDBHSA-N 2 1 317.433 2.958 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC[N@@H+]1C ZINC000273914432 211168878 /nfs/dbraw/zinc/16/88/78/211168878.db2.gz CUJBWTJWCSRUOJ-IZIZEDOESA-N 2 1 302.462 2.889 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC[N@H+]1C ZINC000273914432 211168879 /nfs/dbraw/zinc/16/88/79/211168879.db2.gz CUJBWTJWCSRUOJ-IZIZEDOESA-N 2 1 302.462 2.889 20 0 DFADMP C[NH+](C)[C@H]1CCc2ccccc2N(Cc2c[nH+]c3n2CCC3)C1 ZINC000623283648 399353005 /nfs/dbraw/zinc/35/30/05/399353005.db2.gz BMISMRYQZSNFRI-INIZCTEOSA-N 2 1 310.445 2.712 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000105443181 194104468 /nfs/dbraw/zinc/10/44/68/194104468.db2.gz JNPHEBOVZQEISA-ZDUSSCGKSA-N 2 1 321.494 2.920 20 0 DFADMP C[NH+](C)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335822 399365062 /nfs/dbraw/zinc/36/50/62/399365062.db2.gz GLTLEEACZNAIRF-QZTJIDSGSA-N 2 1 303.494 2.622 20 0 DFADMP CN(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336031 399365719 /nfs/dbraw/zinc/36/57/19/399365719.db2.gz RGROPLDXIMPBSH-IRXDYDNUSA-N 2 1 307.457 2.891 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000623344212 399367392 /nfs/dbraw/zinc/36/73/92/399367392.db2.gz ABYFRKZXEWWVLF-HIFRSBDPSA-N 2 1 324.490 2.614 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000623344212 399367394 /nfs/dbraw/zinc/36/73/94/399367394.db2.gz ABYFRKZXEWWVLF-HIFRSBDPSA-N 2 1 324.490 2.614 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC1(C)C ZINC000623346431 399368230 /nfs/dbraw/zinc/36/82/30/399368230.db2.gz RIWGPIGBHSYAQX-GOSISDBHSA-N 2 1 312.461 2.894 20 0 DFADMP CSCCCCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968120 399371455 /nfs/dbraw/zinc/37/14/55/399371455.db2.gz XQWICSHSCMSPRQ-SFHVURJKSA-N 2 1 322.518 2.746 20 0 DFADMP CSCCCCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968120 399371458 /nfs/dbraw/zinc/37/14/58/399371458.db2.gz XQWICSHSCMSPRQ-SFHVURJKSA-N 2 1 322.518 2.746 20 0 DFADMP CN(C)C(=O)C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623374372 399374986 /nfs/dbraw/zinc/37/49/86/399374986.db2.gz BPDSKHAZGMWDKT-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP CN(C)C(=O)C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623374372 399374987 /nfs/dbraw/zinc/37/49/87/399374987.db2.gz BPDSKHAZGMWDKT-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP CCc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000285031137 218263734 /nfs/dbraw/zinc/26/37/34/218263734.db2.gz NJSCYSDMMWWTOA-RTBURBONSA-N 2 1 311.429 2.707 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)Cc1ccccc1 ZINC000623413424 399383247 /nfs/dbraw/zinc/38/32/47/399383247.db2.gz VKAGJFVRKYBMON-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000623413424 399383250 /nfs/dbraw/zinc/38/32/50/399383250.db2.gz VKAGJFVRKYBMON-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000623413424 399383253 /nfs/dbraw/zinc/38/32/53/399383253.db2.gz VKAGJFVRKYBMON-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413424 399383255 /nfs/dbraw/zinc/38/32/55/399383255.db2.gz VKAGJFVRKYBMON-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413424 399383258 /nfs/dbraw/zinc/38/32/58/399383258.db2.gz VKAGJFVRKYBMON-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC000623429478 399387475 /nfs/dbraw/zinc/38/74/75/399387475.db2.gz FYYANMHGPYFBII-SFHVURJKSA-N 2 1 315.505 2.548 20 0 DFADMP CN(C)C1(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC000623429478 399387476 /nfs/dbraw/zinc/38/74/76/399387476.db2.gz FYYANMHGPYFBII-SFHVURJKSA-N 2 1 315.505 2.548 20 0 DFADMP CN(C)C1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC000623429478 399387479 /nfs/dbraw/zinc/38/74/79/399387479.db2.gz FYYANMHGPYFBII-SFHVURJKSA-N 2 1 315.505 2.548 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623430921 399387932 /nfs/dbraw/zinc/38/79/32/399387932.db2.gz LOBDWBYURDKNGR-CJNGLKHVSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623430921 399387937 /nfs/dbraw/zinc/38/79/37/399387937.db2.gz LOBDWBYURDKNGR-CJNGLKHVSA-N 2 1 304.434 2.981 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC1(C)C ZINC000623438400 399389601 /nfs/dbraw/zinc/38/96/01/399389601.db2.gz YYUVGTXPLFATSM-HNNXBMFYSA-N 2 1 314.433 2.742 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623444513 399391992 /nfs/dbraw/zinc/39/19/92/399391992.db2.gz IUSGLWPHIDYGCA-KRWDZBQOSA-N 2 1 320.477 2.983 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623444513 399391995 /nfs/dbraw/zinc/39/19/95/399391995.db2.gz IUSGLWPHIDYGCA-KRWDZBQOSA-N 2 1 320.477 2.983 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000268838737 207003182 /nfs/dbraw/zinc/00/31/82/207003182.db2.gz AFIWAOZUGFFGKI-LPHOPBHVSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000268838737 207003185 /nfs/dbraw/zinc/00/31/85/207003185.db2.gz AFIWAOZUGFFGKI-LPHOPBHVSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@@H]1C[NH3+] ZINC000422562484 296312943 /nfs/dbraw/zinc/31/29/43/296312943.db2.gz QLAICCJLMLRNBH-RDBSUJKOSA-N 2 1 304.463 2.739 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000268853297 207019679 /nfs/dbraw/zinc/01/96/79/207019679.db2.gz KUMWMISTNKUOFX-CYBMUJFWSA-N 2 1 303.406 2.950 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000623473715 399397387 /nfs/dbraw/zinc/39/73/87/399397387.db2.gz FJKFAHBYOYKFNY-ZBFHGGJFSA-N 2 1 313.449 2.791 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268901180 207068806 /nfs/dbraw/zinc/06/88/06/207068806.db2.gz UNBKSCSTAHHRMH-RDJZCZTQSA-N 2 1 312.461 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000268901180 207068811 /nfs/dbraw/zinc/06/88/11/207068811.db2.gz UNBKSCSTAHHRMH-RDJZCZTQSA-N 2 1 312.461 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268901180 207068815 /nfs/dbraw/zinc/06/88/15/207068815.db2.gz UNBKSCSTAHHRMH-RDJZCZTQSA-N 2 1 312.461 2.532 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)s1 ZINC000422633385 296317300 /nfs/dbraw/zinc/31/73/00/296317300.db2.gz IAVSDRGJBOSODK-MJVIPROJSA-N 2 1 310.463 2.648 20 0 DFADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(C)s1 ZINC000422633385 296317302 /nfs/dbraw/zinc/31/73/02/296317302.db2.gz IAVSDRGJBOSODK-MJVIPROJSA-N 2 1 310.463 2.648 20 0 DFADMP c1csc(-c2noc(CCC[NH+]3CCC4(CC[NH2+]4)CC3)n2)c1 ZINC000422640400 296317489 /nfs/dbraw/zinc/31/74/89/296317489.db2.gz VKNWKKJOFDICBB-UHFFFAOYSA-N 2 1 318.446 2.559 20 0 DFADMP CC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@@H]1CCCC[NH2+]1 ZINC000422687310 296317966 /nfs/dbraw/zinc/31/79/66/296317966.db2.gz BLSUVIORONYOGH-MOPGFXCFSA-N 2 1 316.493 2.556 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000268914156 207081082 /nfs/dbraw/zinc/08/10/82/207081082.db2.gz ILORYHGMVJOYQA-SJLPKXTDSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000268914156 207081085 /nfs/dbraw/zinc/08/10/85/207081085.db2.gz ILORYHGMVJOYQA-SJLPKXTDSA-N 2 1 304.478 2.895 20 0 DFADMP CC[NH+](CC)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422696787 296318211 /nfs/dbraw/zinc/31/82/11/296318211.db2.gz SLENNMDPQOSSPJ-DFNIBXOVSA-N 2 1 301.478 2.901 20 0 DFADMP COc1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000268925741 207091971 /nfs/dbraw/zinc/09/19/71/207091971.db2.gz PTWLLOLPVNDUOR-MAUKXSAKSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@H]([NH2+]CCc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000422709074 296319618 /nfs/dbraw/zinc/31/96/18/296319618.db2.gz YPQIHUKVGZMCPB-HZMBPMFUSA-N 2 1 315.230 2.861 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)ccc(F)c1F ZINC000623508243 399405153 /nfs/dbraw/zinc/40/51/53/399405153.db2.gz OOSLBYBQJDSGGN-GFCCVEGCSA-N 2 1 320.387 2.580 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)COC2 ZINC000268934976 207100288 /nfs/dbraw/zinc/10/02/88/207100288.db2.gz RLLNALSZONDICC-DNVCBOLYSA-N 2 1 318.461 2.604 20 0 DFADMP Cc1ccn2cc(C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)nc2c1 ZINC000422712742 296320258 /nfs/dbraw/zinc/32/02/58/296320258.db2.gz IUFWBKMIRJESAM-ZDUSSCGKSA-N 2 1 309.417 2.656 20 0 DFADMP C[C@H](NCc1ccccc1C[NH+]1CCCCCC1)C1C[NH2+]C1 ZINC000422711594 296320270 /nfs/dbraw/zinc/32/02/70/296320270.db2.gz NJSFGRZGTMENSN-INIZCTEOSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422712947 296320330 /nfs/dbraw/zinc/32/03/30/296320330.db2.gz JCMULQLAKCVPQK-HKUYNNGSSA-N 3 1 303.494 2.658 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000422712947 296320331 /nfs/dbraw/zinc/32/03/31/296320331.db2.gz JCMULQLAKCVPQK-HKUYNNGSSA-N 2 1 303.494 2.658 20 0 DFADMP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422711313 296320062 /nfs/dbraw/zinc/32/00/62/296320062.db2.gz GWYQWRAUYRUKIO-IJEWVQPXSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422711313 296320063 /nfs/dbraw/zinc/32/00/63/296320063.db2.gz GWYQWRAUYRUKIO-IJEWVQPXSA-N 2 1 307.507 2.615 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000610831285 399410824 /nfs/dbraw/zinc/41/08/24/399410824.db2.gz PUWPCLGHCFTVIW-GUXCAODWSA-N 2 1 300.512 2.530 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000422717093 296321008 /nfs/dbraw/zinc/32/10/08/296321008.db2.gz VJOIERZLHZWAFG-HUUCEWRRSA-N 3 1 304.482 2.621 20 0 DFADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422718526 296321086 /nfs/dbraw/zinc/32/10/86/296321086.db2.gz PVYBKZBSOJFJDD-RBUKOAKNSA-N 3 1 319.493 2.767 20 0 DFADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1=O ZINC000623530744 399409677 /nfs/dbraw/zinc/40/96/77/399409677.db2.gz LPJHTIPPXIMBPL-MRXNPFEDSA-N 2 1 313.445 2.501 20 0 DFADMP Cn1c2ccccc2cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1=O ZINC000623530744 399409680 /nfs/dbraw/zinc/40/96/80/399409680.db2.gz LPJHTIPPXIMBPL-MRXNPFEDSA-N 2 1 313.445 2.501 20 0 DFADMP OCCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000268959275 207123363 /nfs/dbraw/zinc/12/33/63/207123363.db2.gz FGBNSKYQCUISOZ-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP OCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000268959275 207123367 /nfs/dbraw/zinc/12/33/67/207123367.db2.gz FGBNSKYQCUISOZ-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP OCCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000268959275 207123371 /nfs/dbraw/zinc/12/33/71/207123371.db2.gz FGBNSKYQCUISOZ-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422721610 296321234 /nfs/dbraw/zinc/32/12/34/296321234.db2.gz VURTUSDODBPCSI-SJLPKXTDSA-N 2 1 324.472 2.709 20 0 DFADMP CCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720742 296321443 /nfs/dbraw/zinc/32/14/43/296321443.db2.gz SZTQGYUOOIRPRX-WDYCEAGBSA-N 2 1 317.477 2.562 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000268986478 207144726 /nfs/dbraw/zinc/14/47/26/207144726.db2.gz QGHLWNVGJIOHPQ-SUMWQHHRSA-N 2 1 317.458 2.699 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422730993 296323050 /nfs/dbraw/zinc/32/30/50/296323050.db2.gz MXXBNXJJFNQNRV-QXAKKESOSA-N 2 1 303.494 2.799 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc(OC)c1OC ZINC000623654591 399435870 /nfs/dbraw/zinc/43/58/70/399435870.db2.gz DATJYWSJRJEDOL-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc(OC)c1OC ZINC000623654591 399435873 /nfs/dbraw/zinc/43/58/73/399435873.db2.gz DATJYWSJRJEDOL-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000623656272 399436281 /nfs/dbraw/zinc/43/62/81/399436281.db2.gz QVQFSDAYVRWGAE-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000623656272 399436283 /nfs/dbraw/zinc/43/62/83/399436283.db2.gz QVQFSDAYVRWGAE-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1NC(C)=O ZINC000269042839 207190818 /nfs/dbraw/zinc/19/08/18/207190818.db2.gz UNLJGRDPMPZQHU-CHWSQXEVSA-N 2 1 307.438 2.644 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cn1 ZINC000623657704 399437984 /nfs/dbraw/zinc/43/79/84/399437984.db2.gz XAMZLUPNMTZUIH-KRWDZBQOSA-N 2 1 304.482 2.748 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623657704 399437985 /nfs/dbraw/zinc/43/79/85/399437985.db2.gz XAMZLUPNMTZUIH-KRWDZBQOSA-N 2 1 304.482 2.748 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000623657766 399438020 /nfs/dbraw/zinc/43/80/20/399438020.db2.gz YQRDHIVQNBUADT-AWEZNQCLSA-N 2 1 304.463 2.755 20 0 DFADMP CC(C)(O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269064912 207214227 /nfs/dbraw/zinc/21/42/27/207214227.db2.gz VJQWMRNORSHEAO-QZTJIDSGSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269064912 207214231 /nfs/dbraw/zinc/21/42/31/207214231.db2.gz VJQWMRNORSHEAO-QZTJIDSGSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269064912 207214236 /nfs/dbraw/zinc/21/42/36/207214236.db2.gz VJQWMRNORSHEAO-QZTJIDSGSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000269076034 207224224 /nfs/dbraw/zinc/22/42/24/207224224.db2.gz YMMGZUKQYCDZJA-IRXDYDNUSA-N 2 1 304.478 2.690 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195092 184277783 /nfs/dbraw/zinc/27/77/83/184277783.db2.gz DAQLWBOAZSDVJU-DOMZBBRYSA-N 2 1 309.841 2.870 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195092 184277784 /nfs/dbraw/zinc/27/77/84/184277784.db2.gz DAQLWBOAZSDVJU-DOMZBBRYSA-N 2 1 309.841 2.870 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)on1 ZINC000602513763 399465783 /nfs/dbraw/zinc/46/57/83/399465783.db2.gz IMAVAZJKXUJQEY-CQSZACIVSA-N 2 1 323.437 2.596 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1)C(C)C ZINC000269192191 207312062 /nfs/dbraw/zinc/31/20/62/207312062.db2.gz RBTIZUQYVYZYCZ-UHFFFAOYSA-N 2 1 317.477 2.728 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422735331 296323881 /nfs/dbraw/zinc/32/38/81/296323881.db2.gz VZCJEZSZMRZQDM-XHSDSOJGSA-N 2 1 307.507 2.992 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1 ZINC000269215269 207334037 /nfs/dbraw/zinc/33/40/37/207334037.db2.gz PHGKXYQNFOLXQW-IBGZPJMESA-N 2 1 317.477 2.776 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000422737260 296324097 /nfs/dbraw/zinc/32/40/97/296324097.db2.gz ZKLJERWRYCLRSO-BHIYHBOVSA-N 2 1 301.478 2.801 20 0 DFADMP CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422761532 296328417 /nfs/dbraw/zinc/32/84/17/296328417.db2.gz MVQDVGBLZMHTKV-GBESFXJTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCCO1 ZINC000623852755 399479596 /nfs/dbraw/zinc/47/95/96/399479596.db2.gz ADQCNHRSWLXNJQ-LPHOPBHVSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000422764487 296329266 /nfs/dbraw/zinc/32/92/66/296329266.db2.gz PSWZFVHZYONDME-KKUMJFAQSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000422764487 296329267 /nfs/dbraw/zinc/32/92/67/296329267.db2.gz PSWZFVHZYONDME-KKUMJFAQSA-N 2 1 304.482 2.620 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCCO1 ZINC000623855663 399480958 /nfs/dbraw/zinc/48/09/58/399480958.db2.gz FBNVOOGGCNQAAN-QFBILLFUSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCCO1 ZINC000623855663 399480961 /nfs/dbraw/zinc/48/09/61/399480961.db2.gz FBNVOOGGCNQAAN-QFBILLFUSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@@H](NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422773237 296330785 /nfs/dbraw/zinc/33/07/85/296330785.db2.gz ZNDYSQQWJQPQAY-QLFBSQMISA-N 2 1 304.482 2.901 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)[nH]1 ZINC000602609068 399489179 /nfs/dbraw/zinc/48/91/79/399489179.db2.gz QRQHRWOQGATJKG-AWEZNQCLSA-N 2 1 307.438 2.546 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)[C@H]1CCCC[NH2+]1 ZINC000422781525 296332052 /nfs/dbraw/zinc/33/20/52/296332052.db2.gz FFBLHKRYVIGTDM-JCGIZDLHSA-N 2 1 306.450 2.973 20 0 DFADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@H]2CCO[C@H]21 ZINC000422787598 296332955 /nfs/dbraw/zinc/33/29/55/296332955.db2.gz RSSCIDNEOBOYQP-UYTYNIKBSA-N 2 1 300.446 2.883 20 0 DFADMP Fc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]2CCCO2)cc1 ZINC000422787558 296333024 /nfs/dbraw/zinc/33/30/24/296333024.db2.gz ROPCXSCITZGBLE-MPBYHJMHSA-N 2 1 304.409 2.918 20 0 DFADMP Cc1c([C@@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422789547 296333307 /nfs/dbraw/zinc/33/33/07/296333307.db2.gz UBXHYUGXMCSWFB-VXGBXAGGSA-N 2 1 302.397 2.578 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000422790134 296333361 /nfs/dbraw/zinc/33/33/61/296333361.db2.gz PBAFUZIIVPXNTJ-KXBFYZLASA-N 2 1 312.461 2.802 20 0 DFADMP CC[C@@H]([NH2+]CCNc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422794338 296333968 /nfs/dbraw/zinc/33/39/68/296333968.db2.gz ZABJWSDQAKNVKF-OLZOCXBDSA-N 2 1 317.264 2.921 20 0 DFADMP CC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422801466 296335472 /nfs/dbraw/zinc/33/54/72/296335472.db2.gz BZKJSABIYSSHRS-IPELMVKDSA-N 2 1 301.478 2.553 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000269249286 207386658 /nfs/dbraw/zinc/38/66/58/207386658.db2.gz XIDRIGNKGBXTGQ-CRAIPNDOSA-N 2 1 317.477 2.661 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297661519 532953270 /nfs/dbraw/zinc/95/32/70/532953270.db2.gz NWUKAAANIZOPQB-UHFFFAOYSA-N 2 1 318.461 2.853 20 0 DFADMP C[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1c[nH+]ccc1N ZINC000422806447 296336754 /nfs/dbraw/zinc/33/67/54/296336754.db2.gz KSPSHGYQTDWRMX-QMMMGPOBSA-N 2 1 316.352 2.863 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809199 296336939 /nfs/dbraw/zinc/33/69/39/296336939.db2.gz POXRMLIKEYNQHW-UZLBHIALSA-N 3 1 311.473 2.796 20 0 DFADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809199 296336940 /nfs/dbraw/zinc/33/69/40/296336940.db2.gz POXRMLIKEYNQHW-UZLBHIALSA-N 2 1 311.473 2.796 20 0 DFADMP C[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)c1c[nH+]ccc1N ZINC000422806446 296336567 /nfs/dbraw/zinc/33/65/67/296336567.db2.gz KSPSHGYQTDWRMX-MRVPVSSYSA-N 2 1 316.352 2.863 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631842159 399505816 /nfs/dbraw/zinc/50/58/16/399505816.db2.gz WHQKTDGYLDREMP-YJBOKZPZSA-N 2 1 323.440 2.966 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccccc21 ZINC000422814494 296337967 /nfs/dbraw/zinc/33/79/67/296337967.db2.gz VDGXOBSMUNLXHN-RBUKOAKNSA-N 2 1 319.412 2.561 20 0 DFADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422814088 296338066 /nfs/dbraw/zinc/33/80/66/296338066.db2.gz ZMHSYZQQDYVZDI-HRCADAONSA-N 2 1 324.465 2.794 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccccc21 ZINC000422814493 296338084 /nfs/dbraw/zinc/33/80/84/296338084.db2.gz VDGXOBSMUNLXHN-OALUTQOASA-N 2 1 319.412 2.561 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631842248 399506303 /nfs/dbraw/zinc/50/63/03/399506303.db2.gz XNUGYILXJQOAMK-MELADBBJSA-N 2 1 300.406 2.633 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)n1 ZINC000631842248 399506304 /nfs/dbraw/zinc/50/63/04/399506304.db2.gz XNUGYILXJQOAMK-MELADBBJSA-N 2 1 300.406 2.633 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422823530 296339668 /nfs/dbraw/zinc/33/96/68/296339668.db2.gz DNPBGNGMQUBMDV-YPMHNXCESA-N 2 1 317.355 2.500 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OCC(F)(F)F ZINC000422825356 296339918 /nfs/dbraw/zinc/33/99/18/296339918.db2.gz JPBLNNAYRMVPAN-NEPJUHHUSA-N 2 1 318.339 2.606 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834947 296341745 /nfs/dbraw/zinc/34/17/45/296341745.db2.gz HZWQVDBPUJQBGD-INMHGKMJSA-N 2 1 307.507 2.690 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422841297 296342682 /nfs/dbraw/zinc/34/26/82/296342682.db2.gz VOKLGYNWZWRPFU-INMHGKMJSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1c[nH+]ccc1N ZINC000422844938 296343689 /nfs/dbraw/zinc/34/36/89/296343689.db2.gz NEZUJFLJNXLFKV-CQSZACIVSA-N 2 1 320.506 2.506 20 0 DFADMP Brc1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166915636 532978433 /nfs/dbraw/zinc/97/84/33/532978433.db2.gz XHGSIZVPFWPRJQ-UONOGXRCSA-N 2 1 310.239 2.561 20 0 DFADMP Brc1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166915636 532978438 /nfs/dbraw/zinc/97/84/38/532978438.db2.gz XHGSIZVPFWPRJQ-UONOGXRCSA-N 2 1 310.239 2.561 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCCC[C@H]1[NH3+] ZINC000422861318 296346386 /nfs/dbraw/zinc/34/63/86/296346386.db2.gz JAUKGCYEFCIIQA-IAGOWNOFSA-N 2 1 306.450 2.770 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000422863412 296346707 /nfs/dbraw/zinc/34/67/07/296346707.db2.gz OYWPOHRBZRQUFD-KFWWJZLASA-N 2 1 304.482 2.762 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000422863412 296346709 /nfs/dbraw/zinc/34/67/09/296346709.db2.gz OYWPOHRBZRQUFD-KFWWJZLASA-N 2 1 304.482 2.762 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422859725 296346070 /nfs/dbraw/zinc/34/60/70/296346070.db2.gz KETLYURVPGPJSM-DLBZAZTESA-N 2 1 301.434 2.563 20 0 DFADMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422859967 296346143 /nfs/dbraw/zinc/34/61/43/296346143.db2.gz KTOUVDUAEVLFKJ-IXDOHACOSA-N 2 1 302.466 2.548 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422866686 296347136 /nfs/dbraw/zinc/34/71/36/296347136.db2.gz QROSBZUVTNRBJS-QWHCGFSZSA-N 2 1 317.355 2.772 20 0 DFADMP C[C@@H](NCc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875679 296348789 /nfs/dbraw/zinc/34/87/89/296348789.db2.gz FOTVOAFIVVPIHH-BRWVUGGUSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000347392390 285028426 /nfs/dbraw/zinc/02/84/26/285028426.db2.gz LCDJNMKAGBCWCY-ZIFCJYIRSA-N 2 1 324.509 2.767 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)ccc1OCCC(C)C ZINC000422885347 296350580 /nfs/dbraw/zinc/35/05/80/296350580.db2.gz UHSRLZDNSRZQDE-AWEZNQCLSA-N 2 1 306.450 2.818 20 0 DFADMP COc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)ccc1OCCC(C)C ZINC000422885348 296350600 /nfs/dbraw/zinc/35/06/00/296350600.db2.gz UHSRLZDNSRZQDE-CQSZACIVSA-N 2 1 306.450 2.818 20 0 DFADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891024 296351537 /nfs/dbraw/zinc/35/15/37/296351537.db2.gz UKTMMCCVILLYIS-DSJDWBEOSA-N 3 1 315.505 2.731 20 0 DFADMP C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891024 296351538 /nfs/dbraw/zinc/35/15/38/296351538.db2.gz UKTMMCCVILLYIS-DSJDWBEOSA-N 2 1 315.505 2.731 20 0 DFADMP C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891024 296351540 /nfs/dbraw/zinc/35/15/40/296351540.db2.gz UKTMMCCVILLYIS-DSJDWBEOSA-N 2 1 315.505 2.731 20 0 DFADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891026 296351573 /nfs/dbraw/zinc/35/15/73/296351573.db2.gz UKTMMCCVILLYIS-YQXATGRUSA-N 3 1 315.505 2.731 20 0 DFADMP C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891026 296351575 /nfs/dbraw/zinc/35/15/75/296351575.db2.gz UKTMMCCVILLYIS-YQXATGRUSA-N 2 1 315.505 2.731 20 0 DFADMP C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CC[NH2+]C1 ZINC000422891026 296351576 /nfs/dbraw/zinc/35/15/76/296351576.db2.gz UKTMMCCVILLYIS-YQXATGRUSA-N 2 1 315.505 2.731 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCC[NH3+])cc1F ZINC000422899890 296352894 /nfs/dbraw/zinc/35/28/94/296352894.db2.gz IJBVCQNIRJRAGG-CYBMUJFWSA-N 3 1 304.413 2.927 20 0 DFADMP Fc1ccc(Oc2ccc(C[NH2+]C3CC[NH2+]CC3)cn2)cc1 ZINC000422894916 296352219 /nfs/dbraw/zinc/35/22/19/296352219.db2.gz DLMJJOVBICHGQN-UHFFFAOYSA-N 2 1 301.365 2.855 20 0 DFADMP Cc1cc(NCCC[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000119730436 195026910 /nfs/dbraw/zinc/02/69/10/195026910.db2.gz DUKFIWJWAIWIHY-UHFFFAOYSA-N 2 1 303.381 2.817 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000422903637 296353708 /nfs/dbraw/zinc/35/37/08/296353708.db2.gz OQICSBSHOUYMJP-IAGOWNOFSA-N 3 1 319.493 2.514 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000422903637 296353709 /nfs/dbraw/zinc/35/37/09/296353709.db2.gz OQICSBSHOUYMJP-IAGOWNOFSA-N 3 1 319.493 2.514 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCCCC[C@H]3[NH3+])cn2)n1 ZINC000422905047 296353757 /nfs/dbraw/zinc/35/37/57/296353757.db2.gz YNSBUKDDDFYWAP-SJORKVTESA-N 2 1 313.449 2.634 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])cc1F ZINC000422904432 296354033 /nfs/dbraw/zinc/35/40/33/296354033.db2.gz PYCPUPZVOZJRON-NVXWUHKLSA-N 3 1 316.424 2.927 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)C1C[NH2+]C1 ZINC000422906634 296354395 /nfs/dbraw/zinc/35/43/95/296354395.db2.gz VQGKRZZYSLPHFA-GFCCVEGCSA-N 2 1 301.365 2.711 20 0 DFADMP CC(C)[C@H](CN[C@H](C)C[C@H](C)[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422925604 296355917 /nfs/dbraw/zinc/35/59/17/296355917.db2.gz BIPYLAXEGWVCAA-FCEWJHQRSA-N 2 1 303.494 2.785 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422925604 296355919 /nfs/dbraw/zinc/35/59/19/296355919.db2.gz BIPYLAXEGWVCAA-FCEWJHQRSA-N 2 1 303.494 2.785 20 0 DFADMP c1ccc(CC2CC[NH+](CCCC[NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000422911086 296354898 /nfs/dbraw/zinc/35/48/98/296354898.db2.gz SDMSYZDIJJJNDF-FQEVSTJZSA-N 3 1 315.505 2.673 20 0 DFADMP CCN1CC[NH+](Cc2ccc(N[C@H](C)CCCC[NH3+])cc2)CC1 ZINC000422916258 296355205 /nfs/dbraw/zinc/35/52/05/296355205.db2.gz DCTCYLXWWIORLC-QGZVFWFLSA-N 2 1 318.509 2.754 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)c(C)n2n1 ZINC000120121677 195100369 /nfs/dbraw/zinc/10/03/69/195100369.db2.gz LJPUQLXOAPPWMJ-CYBMUJFWSA-N 2 1 303.454 2.585 20 0 DFADMP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000269994033 208047297 /nfs/dbraw/zinc/04/72/97/208047297.db2.gz VRYKAIGVSHGYHX-OALUTQOASA-N 2 1 310.445 2.648 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422947592 296359338 /nfs/dbraw/zinc/35/93/38/296359338.db2.gz YNKRXJZCPKWHMA-PMACEKPBSA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422947592 296359340 /nfs/dbraw/zinc/35/93/40/296359340.db2.gz YNKRXJZCPKWHMA-PMACEKPBSA-N 2 1 315.505 2.801 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)ccc1SC ZINC000631887240 399519917 /nfs/dbraw/zinc/51/99/17/399519917.db2.gz MOWXWDUALNEHBC-LSDHHAIUSA-N 2 1 306.475 2.991 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)ccc1SC ZINC000631887240 399519919 /nfs/dbraw/zinc/51/99/19/399519919.db2.gz MOWXWDUALNEHBC-LSDHHAIUSA-N 2 1 306.475 2.991 20 0 DFADMP c1ccc2c(CC[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)nsc2c1 ZINC000631890160 399520753 /nfs/dbraw/zinc/52/07/53/399520753.db2.gz MUBFOWNEQXNNOY-XJKSGUPXSA-N 2 1 301.459 2.913 20 0 DFADMP c1ccc2c(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)nsc2c1 ZINC000631890160 399520758 /nfs/dbraw/zinc/52/07/58/399520758.db2.gz MUBFOWNEQXNNOY-XJKSGUPXSA-N 2 1 301.459 2.913 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000270026547 208081858 /nfs/dbraw/zinc/08/18/58/208081858.db2.gz XPEOPFOYTNXJAQ-JQWIXIFHSA-N 2 1 302.340 2.999 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[N@H+]1C ZINC000270026547 208081861 /nfs/dbraw/zinc/08/18/61/208081861.db2.gz XPEOPFOYTNXJAQ-JQWIXIFHSA-N 2 1 302.340 2.999 20 0 DFADMP CC[C@@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422965753 296362078 /nfs/dbraw/zinc/36/20/78/296362078.db2.gz POQAFUOMKLLNEE-IXDOHACOSA-N 2 1 305.466 2.927 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000422969001 296362741 /nfs/dbraw/zinc/36/27/41/296362741.db2.gz YKLYIYCBPLHJAZ-KBXCAEBGSA-N 2 1 304.482 2.620 20 0 DFADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422968218 296362557 /nfs/dbraw/zinc/36/25/57/296362557.db2.gz QRXKZYQLMJPMOJ-OALUTQOASA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1c[nH+]ccc1N ZINC000422968550 296362603 /nfs/dbraw/zinc/36/26/03/296362603.db2.gz WYRYLMWZIDQKMJ-PBHICJAKSA-N 2 1 314.433 2.965 20 0 DFADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c2c(c1)OCCCO2 ZINC000422995243 296365133 /nfs/dbraw/zinc/36/51/33/296365133.db2.gz XMVUAGDYMLGDEA-BRWVUGGUSA-N 2 1 316.445 2.858 20 0 DFADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423001416 296365797 /nfs/dbraw/zinc/36/57/97/296365797.db2.gz WXVITGPUNOOMOL-QRVBRYPASA-N 2 1 314.473 2.756 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1cnc2cc(C)nn2c1C ZINC000120160597 195108775 /nfs/dbraw/zinc/10/87/75/195108775.db2.gz XZQLOECNUXMWLA-CQSZACIVSA-N 2 1 303.454 2.729 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423009710 296366913 /nfs/dbraw/zinc/36/69/13/296366913.db2.gz DMKCNYRJLJGPDE-IEAZIUSSSA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423009710 296366914 /nfs/dbraw/zinc/36/69/14/296366914.db2.gz DMKCNYRJLJGPDE-IEAZIUSSSA-N 2 1 307.869 2.815 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCc3cnc(C4CC4)nc3)CC[NH2+]2)cc1 ZINC000423015287 296368178 /nfs/dbraw/zinc/36/81/78/296368178.db2.gz QQXGKYVBNQUXNL-OALUTQOASA-N 2 1 322.456 2.979 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423018346 296368634 /nfs/dbraw/zinc/36/86/34/296368634.db2.gz YOYLKJLXUOWGTK-ZOBUZTSGSA-N 2 1 305.441 2.915 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1)C(C)C ZINC000261889906 285098452 /nfs/dbraw/zinc/09/84/52/285098452.db2.gz VGGJSYLFWUPEID-NVXWUHKLSA-N 2 1 317.477 2.726 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423029772 296369628 /nfs/dbraw/zinc/36/96/28/296369628.db2.gz VKZJUBSGUPPTIV-HWWQOWPSSA-N 2 1 311.832 2.788 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000423027912 296369704 /nfs/dbraw/zinc/36/97/04/296369704.db2.gz RVRZALCGHLQLOX-BARDWOONSA-N 2 1 316.367 2.771 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000317144190 533051729 /nfs/dbraw/zinc/05/17/29/533051729.db2.gz FPIGCDZAUGQIOI-CQSZACIVSA-N 2 1 310.438 2.518 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000317144190 533051736 /nfs/dbraw/zinc/05/17/36/533051736.db2.gz FPIGCDZAUGQIOI-CQSZACIVSA-N 2 1 310.438 2.518 20 0 DFADMP FC(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423047915 296371519 /nfs/dbraw/zinc/37/15/19/296371519.db2.gz HSFIRTZRJWNEFR-ARFHVFGLSA-N 2 1 310.388 2.871 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423048821 296372081 /nfs/dbraw/zinc/37/20/81/296372081.db2.gz AEWJQHNVHJTUHH-GBESFXJTSA-N 2 1 301.478 2.614 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423048821 296372082 /nfs/dbraw/zinc/37/20/82/296372082.db2.gz AEWJQHNVHJTUHH-GBESFXJTSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423058029 296373219 /nfs/dbraw/zinc/37/32/19/296373219.db2.gz BJADKNZJXNOOKD-WBMJQRKESA-N 2 1 305.853 2.962 20 0 DFADMP CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423061056 296373420 /nfs/dbraw/zinc/37/34/20/296373420.db2.gz PXLDQWLPCPLNGA-RCCFBDPRSA-N 2 1 320.502 2.796 20 0 DFADMP C[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423067127 296374472 /nfs/dbraw/zinc/37/44/72/296374472.db2.gz YNKPJQDKDIJFAV-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423068180 296374592 /nfs/dbraw/zinc/37/45/92/296374592.db2.gz BCBVHNVSYACKTB-QMTMVMCOSA-N 2 1 313.445 2.775 20 0 DFADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423071237 296375011 /nfs/dbraw/zinc/37/50/11/296375011.db2.gz HMIWNLYQIOXWEF-OTWHNJEPSA-N 2 1 300.446 2.811 20 0 DFADMP Cn1ccnc1CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159047815 197321665 /nfs/dbraw/zinc/32/16/65/197321665.db2.gz VPMPDGBDOWOGTE-RTBURBONSA-N 2 1 324.472 2.907 20 0 DFADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000158864935 197307110 /nfs/dbraw/zinc/30/71/10/197307110.db2.gz URCUNHYEHWINFW-PBHICJAKSA-N 2 1 303.450 2.998 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423088742 296377290 /nfs/dbraw/zinc/37/72/90/296377290.db2.gz SOLVLXHHACFRNJ-GALLPEHLSA-N 2 1 319.415 2.509 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158631194 197289739 /nfs/dbraw/zinc/28/97/39/197289739.db2.gz ZQUMUMLHOSNDEM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158631194 197289740 /nfs/dbraw/zinc/28/97/40/197289740.db2.gz ZQUMUMLHOSNDEM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158631194 197289741 /nfs/dbraw/zinc/28/97/41/197289741.db2.gz ZQUMUMLHOSNDEM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423100436 296378162 /nfs/dbraw/zinc/37/81/62/296378162.db2.gz BSBXWPLLHDQROX-ISVAXAHUSA-N 2 1 319.193 2.944 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121057 399560369 /nfs/dbraw/zinc/56/03/69/399560369.db2.gz MTGIQYVHBLWCGH-LSDHHAIUSA-N 2 1 315.461 2.954 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120365 399560728 /nfs/dbraw/zinc/56/07/28/399560728.db2.gz XJSQJNSLRLFLSY-CVEARBPZSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121623 399561383 /nfs/dbraw/zinc/56/13/83/399561383.db2.gz ZCCQZLYNLLSNEA-DLBZAZTESA-N 2 1 317.477 2.750 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423113481 296380091 /nfs/dbraw/zinc/38/00/91/296380091.db2.gz UIQCLGVMDFLKMK-AQNXPRMDSA-N 2 1 310.441 2.673 20 0 DFADMP FC1(F)CCC(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423114902 296380351 /nfs/dbraw/zinc/38/03/51/296380351.db2.gz MMCDIZYLBCEROX-RBSFLKMASA-N 2 1 302.409 2.559 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119140 296380627 /nfs/dbraw/zinc/38/06/27/296380627.db2.gz BGXKZJYVUUHIOS-VDZJLULYSA-N 2 1 317.477 2.561 20 0 DFADMP CC(C)N(C)C[C@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119140 296380628 /nfs/dbraw/zinc/38/06/28/296380628.db2.gz BGXKZJYVUUHIOS-VDZJLULYSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000624123412 399561875 /nfs/dbraw/zinc/56/18/75/399561875.db2.gz LNVFLHMMKDXCKJ-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423121270 296381344 /nfs/dbraw/zinc/38/13/44/296381344.db2.gz ALVQODLPMPDKNV-JONQDZQNSA-N 2 1 316.436 2.949 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)c2ccccc21 ZINC000423124033 296381436 /nfs/dbraw/zinc/38/14/36/296381436.db2.gz NYZQSLZIJGQOBH-ZRNYENFQSA-N 2 1 308.425 2.887 20 0 DFADMP COCC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCOCC1 ZINC000423123173 296381110 /nfs/dbraw/zinc/38/11/10/296381110.db2.gz DJTKKYJVLOKHBK-ROUUACIJSA-N 2 1 318.461 2.513 20 0 DFADMP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423121269 296381216 /nfs/dbraw/zinc/38/12/16/296381216.db2.gz ALVQODLPMPDKNV-JJXSEGSLSA-N 2 1 316.436 2.949 20 0 DFADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423126053 296381648 /nfs/dbraw/zinc/38/16/48/296381648.db2.gz ANUPVGXJWSKWKT-APAFKAMOSA-N 2 1 300.446 2.537 20 0 DFADMP Brc1ccccc1C1(C[NH2+][C@H]2CC[NH2+]C2)CCC1 ZINC000423124215 296381688 /nfs/dbraw/zinc/38/16/88/296381688.db2.gz GDDNEBZZPKWKQL-LBPRGKRZSA-N 2 1 309.251 2.822 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])s1 ZINC000423128563 296381909 /nfs/dbraw/zinc/38/19/09/296381909.db2.gz KZIOAPAZHIHLQH-ZFWWWQNUSA-N 2 1 318.490 2.752 20 0 DFADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423137264 296382908 /nfs/dbraw/zinc/38/29/08/296382908.db2.gz QLZKCIDVAWDJDZ-HKUYNNGSSA-N 2 1 303.494 2.801 20 0 DFADMP Cc1nccn1CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625469455 399566026 /nfs/dbraw/zinc/56/60/26/399566026.db2.gz SYJJBGLXXZULKU-UHFFFAOYSA-N 2 1 313.445 2.999 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625469455 399566028 /nfs/dbraw/zinc/56/60/28/399566028.db2.gz SYJJBGLXXZULKU-UHFFFAOYSA-N 2 1 313.445 2.999 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625469455 399566030 /nfs/dbraw/zinc/56/60/30/399566030.db2.gz SYJJBGLXXZULKU-UHFFFAOYSA-N 2 1 313.445 2.999 20 0 DFADMP Cc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000271162486 208676029 /nfs/dbraw/zinc/67/60/29/208676029.db2.gz LUHZMALKUBAGFQ-OAHLLOKOSA-N 2 1 308.441 2.659 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423144014 296384393 /nfs/dbraw/zinc/38/43/93/296384393.db2.gz FXCGRYHEYWIXPB-XIRDDKMYSA-N 2 1 307.507 2.728 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602779797 399568960 /nfs/dbraw/zinc/56/89/60/399568960.db2.gz RJDCXIGRZJWMEH-JKSUJKDBSA-N 2 1 319.449 2.776 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602779797 399568965 /nfs/dbraw/zinc/56/89/65/399568965.db2.gz RJDCXIGRZJWMEH-JKSUJKDBSA-N 2 1 319.449 2.776 20 0 DFADMP Cc1nc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])sc1Br ZINC000423162887 296386787 /nfs/dbraw/zinc/38/67/87/296386787.db2.gz URIMHUZDLULDOW-VHSXEESVSA-N 2 1 318.284 2.821 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000249277182 296387463 /nfs/dbraw/zinc/38/74/63/296387463.db2.gz DMEQJDDXWOIUEM-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)c(C)c1)[C@H]1CCCC[NH2+]1 ZINC000423169919 296387939 /nfs/dbraw/zinc/38/79/39/296387939.db2.gz XCXUQTWSCKRWOW-GBESFXJTSA-N 2 1 304.478 2.717 20 0 DFADMP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1(F)F ZINC000423176196 296388034 /nfs/dbraw/zinc/38/80/34/296388034.db2.gz FQDZTEKDYKANSU-QKPAOTATSA-N 2 1 310.388 2.618 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1([NH3+])CCCCC1)CC2 ZINC000423176870 296388583 /nfs/dbraw/zinc/38/85/83/296388583.db2.gz IEHITPMWKBTNAF-HNNXBMFYSA-N 2 1 304.434 2.942 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC1([NH3+])CCCCC1)CC2 ZINC000423176871 296388628 /nfs/dbraw/zinc/38/86/28/296388628.db2.gz IEHITPMWKBTNAF-OAHLLOKOSA-N 2 1 304.434 2.942 20 0 DFADMP Brc1cc2c(s1)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423180687 296388870 /nfs/dbraw/zinc/38/88/70/296388870.db2.gz IKVVROWRWULKOR-JTQLQIEISA-N 2 1 301.253 2.840 20 0 DFADMP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC[NH3+] ZINC000423182984 296389276 /nfs/dbraw/zinc/38/92/76/296389276.db2.gz MFNCWMLBEGPIER-NSHDSACASA-N 2 1 323.234 2.918 20 0 DFADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423182789 296389354 /nfs/dbraw/zinc/38/93/54/296389354.db2.gz FMQOVTCSHNUWDL-QZTJIDSGSA-N 2 1 319.493 2.991 20 0 DFADMP CC(C)O[C@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423182823 296389378 /nfs/dbraw/zinc/38/93/78/296389378.db2.gz FPMPTPPBYWKWTH-IRXDYDNUSA-N 2 1 305.466 2.743 20 0 DFADMP c1ccc2c(c1)CC[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CO2 ZINC000423190693 296390442 /nfs/dbraw/zinc/39/04/42/296390442.db2.gz RLKVDDJGCXCTDO-GOSISDBHSA-N 2 1 311.429 2.545 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000602795900 399577013 /nfs/dbraw/zinc/57/70/13/399577013.db2.gz CJBSBUPYUUWXOR-CYBMUJFWSA-N 2 1 323.437 2.576 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423221666 296394035 /nfs/dbraw/zinc/39/40/35/296394035.db2.gz XNKLBJSJMYJUCO-JCHJZTRSSA-N 3 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423221666 296394036 /nfs/dbraw/zinc/39/40/36/296394036.db2.gz XNKLBJSJMYJUCO-JCHJZTRSSA-N 3 1 301.478 2.800 20 0 DFADMP Brc1ccccc1C[C@@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC1 ZINC000423214796 296393003 /nfs/dbraw/zinc/39/30/03/296393003.db2.gz NCRLWEFPVXHMDX-UKRRQHHQSA-N 2 1 309.251 2.722 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214726 296393015 /nfs/dbraw/zinc/39/30/15/296393015.db2.gz PJOHVOZFSZCNCO-YSTOQKLRSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214726 296393016 /nfs/dbraw/zinc/39/30/16/296393016.db2.gz PJOHVOZFSZCNCO-YSTOQKLRSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214726 296393018 /nfs/dbraw/zinc/39/30/18/296393018.db2.gz PJOHVOZFSZCNCO-YSTOQKLRSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423218696 296393685 /nfs/dbraw/zinc/39/36/85/296393685.db2.gz VTNYRONADBZYHB-RYUDHWBXSA-N 2 1 306.841 2.877 20 0 DFADMP CC[NH2+]CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423235935 296395565 /nfs/dbraw/zinc/39/55/65/296395565.db2.gz NSCPEGJAEPHOGG-XUVXKRRUSA-N 2 1 315.505 2.876 20 0 DFADMP CC(C)C[C@H](CN)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258147 296397713 /nfs/dbraw/zinc/39/77/13/296397713.db2.gz BDNKARQKZKCFKC-DOTOQJQBSA-N 2 1 307.482 2.651 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258147 296397714 /nfs/dbraw/zinc/39/77/14/296397714.db2.gz BDNKARQKZKCFKC-DOTOQJQBSA-N 3 1 307.482 2.651 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc(OC)c1OC ZINC000423267063 296398651 /nfs/dbraw/zinc/39/86/51/296398651.db2.gz DRYDLJUIQKFVFZ-TZMCWYRMSA-N 2 1 310.438 2.736 20 0 DFADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000423269681 296398765 /nfs/dbraw/zinc/39/87/65/296398765.db2.gz WDZWZPLBOAOYBV-YSTOQKLRSA-N 2 1 315.505 2.860 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cn1 ZINC000423283196 296400703 /nfs/dbraw/zinc/40/07/03/296400703.db2.gz DWMVVGLNGRQPEY-HNNXBMFYSA-N 2 1 305.466 2.923 20 0 DFADMP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423297539 296402037 /nfs/dbraw/zinc/40/20/37/296402037.db2.gz KSPIZEDVHSWUFZ-QPUJVOFHSA-N 2 1 301.203 2.760 20 0 DFADMP C[C@@H](CO)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000271552212 209005142 /nfs/dbraw/zinc/00/51/42/209005142.db2.gz SFGOZBNCMCSYFW-MRXNPFEDSA-N 2 1 322.468 2.831 20 0 DFADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Br)c(F)c1 ZINC000423320655 296403981 /nfs/dbraw/zinc/40/39/81/296403981.db2.gz MJKBNFFPNVPYKQ-ISVAXAHUSA-N 2 1 301.203 2.976 20 0 DFADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCC2)ccc1OC(F)F ZINC000423338320 296405957 /nfs/dbraw/zinc/40/59/57/296405957.db2.gz WBGONLIOMINRRW-JTQLQIEISA-N 2 1 300.349 2.829 20 0 DFADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000155193285 197031542 /nfs/dbraw/zinc/03/15/42/197031542.db2.gz ICFKLQWHVYHGIG-HOCLYGCPSA-N 2 1 306.450 2.709 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155282025 197039723 /nfs/dbraw/zinc/03/97/23/197039723.db2.gz NPHCKWLKEVEOIT-IIDMSEBBSA-N 2 1 315.461 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155282025 197039725 /nfs/dbraw/zinc/03/97/25/197039725.db2.gz NPHCKWLKEVEOIT-IIDMSEBBSA-N 2 1 315.461 2.632 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2cccc(OC)c2)C1 ZINC000154870225 197000794 /nfs/dbraw/zinc/00/07/94/197000794.db2.gz MGTHWUHPRROLRR-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2cccc(OC)c2)C1 ZINC000154870225 197000796 /nfs/dbraw/zinc/00/07/96/197000796.db2.gz MGTHWUHPRROLRR-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000154870225 197000797 /nfs/dbraw/zinc/00/07/97/197000797.db2.gz MGTHWUHPRROLRR-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000154870225 197000799 /nfs/dbraw/zinc/00/07/99/197000799.db2.gz MGTHWUHPRROLRR-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP OC(C[NH+]1CCC[C@@H](C2CC2)C1)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344052858 285231454 /nfs/dbraw/zinc/23/14/54/285231454.db2.gz INCLPPQNQYUYRX-QZTJIDSGSA-N 2 1 306.494 2.591 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc(OC)c1OC ZINC000423384954 296411274 /nfs/dbraw/zinc/41/12/74/296411274.db2.gz QQNQZJGHMVUTMG-MBNYWOFBSA-N 2 1 308.422 2.504 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](C2CC2)C1 ZINC000347905047 285235078 /nfs/dbraw/zinc/23/50/78/285235078.db2.gz YQZBHOSWGGOLCU-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423401488 296412834 /nfs/dbraw/zinc/41/28/34/296412834.db2.gz QXLAUTYITMDSHZ-CQDKDKBSSA-N 2 1 316.367 2.981 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000423405891 296413111 /nfs/dbraw/zinc/41/31/11/296413111.db2.gz UHJODDXAVUSRJN-WQGACYEGSA-N 2 1 319.840 2.569 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000449036596 297395216 /nfs/dbraw/zinc/39/52/16/297395216.db2.gz KOLJRMBETLQFMY-YOEHRIQHSA-N 2 1 307.507 2.514 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC[N@H+](C)CC23CCCCC3)s1 ZINC000347920079 285246340 /nfs/dbraw/zinc/24/63/40/285246340.db2.gz OAZJGWTZWXXFCW-UHFFFAOYSA-N 2 1 322.522 2.655 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC[N@@H+](C)CC23CCCCC3)s1 ZINC000347920079 285246341 /nfs/dbraw/zinc/24/63/41/285246341.db2.gz OAZJGWTZWXXFCW-UHFFFAOYSA-N 2 1 322.522 2.655 20 0 DFADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccn1 ZINC000347923708 285248080 /nfs/dbraw/zinc/24/80/80/285248080.db2.gz DEXTWGOTMFCCAG-GDBMZVCRSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000347923708 285248082 /nfs/dbraw/zinc/24/80/82/285248082.db2.gz DEXTWGOTMFCCAG-GDBMZVCRSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294810375 224236410 /nfs/dbraw/zinc/23/64/10/224236410.db2.gz NUDCYTFEKJNZNO-ZHALLVOQSA-N 2 1 304.478 2.895 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1OC ZINC000423462961 296418592 /nfs/dbraw/zinc/41/85/92/296418592.db2.gz AEWHKARAIFCPGZ-DGCLKSJQSA-N 2 1 314.376 2.599 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(F)cc1N(C)C ZINC000423468098 296418885 /nfs/dbraw/zinc/41/88/85/296418885.db2.gz FJVSPFBAGVGXQO-VXGBXAGGSA-N 2 1 315.383 2.787 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccncc2F)CC1 ZINC000449038450 297396020 /nfs/dbraw/zinc/39/60/20/297396020.db2.gz USDNOOMQQNQNSL-UHFFFAOYSA-N 2 1 309.429 2.544 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCCS2 ZINC000423489446 296421408 /nfs/dbraw/zinc/42/14/08/296421408.db2.gz FZUQRTLAMWWHOF-GOEBONIOSA-N 2 1 322.474 2.590 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423502626 296423174 /nfs/dbraw/zinc/42/31/74/296423174.db2.gz FDQUBTBWTGEOQY-RISCZKNCSA-N 2 1 302.340 2.735 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1C(F)(F)F ZINC000423516170 296424858 /nfs/dbraw/zinc/42/48/58/296424858.db2.gz NNIQEXSNVPKTOQ-VXGBXAGGSA-N 2 1 302.340 2.735 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CCCS2)[C@H](C)C1 ZINC000120426973 195164305 /nfs/dbraw/zinc/16/43/05/195164305.db2.gz XPDSCGZYJTZASW-IKGGRYGDSA-N 2 1 314.539 2.999 20 0 DFADMP CC(C)[NH+](CCCNc1nc(N2CCCC2)cc[nH+]1)C(C)C ZINC000074773126 542470351 /nfs/dbraw/zinc/47/03/51/542470351.db2.gz PSUPSZDDWGUUTL-UHFFFAOYSA-N 2 1 305.470 2.998 20 0 DFADMP CC[C@H](CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000120682577 195216057 /nfs/dbraw/zinc/21/60/57/195216057.db2.gz MNLNPUDNMQXSPM-QGZVFWFLSA-N 2 1 304.478 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289475601 221002253 /nfs/dbraw/zinc/00/22/53/221002253.db2.gz XLLKCUXUOJIUCV-IRXDYDNUSA-N 2 1 320.387 2.505 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccnc1Cl ZINC000289519412 221037441 /nfs/dbraw/zinc/03/74/41/221037441.db2.gz VEIKJHWFSIHLNP-INIZCTEOSA-N 2 1 324.900 2.583 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289525803 221039734 /nfs/dbraw/zinc/03/97/34/221039734.db2.gz VTICDLZEGQZNMH-KRWDZBQOSA-N 2 1 321.484 2.716 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](CSc2ccccc2)C1)C1CC1 ZINC000289540939 221053323 /nfs/dbraw/zinc/05/33/23/221053323.db2.gz CLMKSIOHMHPYAS-DOTOQJQBSA-N 2 1 320.502 2.556 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](CSc2ccccc2)C1)C1CC1 ZINC000289540939 221053324 /nfs/dbraw/zinc/05/33/24/221053324.db2.gz CLMKSIOHMHPYAS-DOTOQJQBSA-N 2 1 320.502 2.556 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1)C1CC1 ZINC000289540939 221053326 /nfs/dbraw/zinc/05/33/26/221053326.db2.gz CLMKSIOHMHPYAS-DOTOQJQBSA-N 2 1 320.502 2.556 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1)C1CC1 ZINC000289540939 221053329 /nfs/dbraw/zinc/05/33/29/221053329.db2.gz CLMKSIOHMHPYAS-DOTOQJQBSA-N 2 1 320.502 2.556 20 0 DFADMP CO[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000289581357 221082063 /nfs/dbraw/zinc/08/20/63/221082063.db2.gz AMPUIAFLVSKGJW-CABCVRRESA-N 2 1 308.441 2.846 20 0 DFADMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000289610609 221102070 /nfs/dbraw/zinc/10/20/70/221102070.db2.gz OCQKTHBPYWUYKV-SFHVURJKSA-N 2 1 310.445 2.869 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000289610609 221102073 /nfs/dbraw/zinc/10/20/73/221102073.db2.gz OCQKTHBPYWUYKV-SFHVURJKSA-N 2 1 310.445 2.869 20 0 DFADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000629515926 399631609 /nfs/dbraw/zinc/63/16/09/399631609.db2.gz YMGACXKAAIZQTK-PJVZLEMVSA-N 2 1 314.473 2.925 20 0 DFADMP FC(F)(F)[C@@H]1Oc2ccccc2C[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000629515263 399632006 /nfs/dbraw/zinc/63/20/06/399632006.db2.gz NRSMMLGYFXPJLW-GZBFAFLISA-N 2 1 314.351 2.653 20 0 DFADMP CN(C)c1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081632292 542498366 /nfs/dbraw/zinc/49/83/66/542498366.db2.gz LJXLOCJQIDCRDH-GOSISDBHSA-N 2 1 301.478 2.916 20 0 DFADMP CN(C)c1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000081632292 542498371 /nfs/dbraw/zinc/49/83/71/542498371.db2.gz LJXLOCJQIDCRDH-GOSISDBHSA-N 2 1 301.478 2.916 20 0 DFADMP CN(C)c1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000081632292 542498376 /nfs/dbraw/zinc/49/83/76/542498376.db2.gz LJXLOCJQIDCRDH-GOSISDBHSA-N 2 1 301.478 2.916 20 0 DFADMP CC(C)[C@@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000625762359 399634062 /nfs/dbraw/zinc/63/40/62/399634062.db2.gz UZMCWRKQAZVFSV-PMACEKPBSA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[C@@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000625762359 399634064 /nfs/dbraw/zinc/63/40/64/399634064.db2.gz UZMCWRKQAZVFSV-PMACEKPBSA-N 2 1 315.505 2.923 20 0 DFADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CCOCC1 ZINC000629521388 399634155 /nfs/dbraw/zinc/63/41/55/399634155.db2.gz OOJJMCBPDLMVKZ-AWEZNQCLSA-N 2 1 310.825 2.651 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1C(F)(F)F ZINC000629524346 399635003 /nfs/dbraw/zinc/63/50/03/399635003.db2.gz OYNNYZNNRJBRLS-NSHDSACASA-N 2 1 302.340 2.864 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289893278 221297996 /nfs/dbraw/zinc/29/79/96/221297996.db2.gz XZSXTRYBZHJOPX-UHFFFAOYSA-N 2 1 324.432 2.651 20 0 DFADMP Cn1nccc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289909800 221310307 /nfs/dbraw/zinc/31/03/07/221310307.db2.gz UPEFGYAPQXOOBX-SFHVURJKSA-N 2 1 312.461 2.812 20 0 DFADMP Cn1nccc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289909800 221310309 /nfs/dbraw/zinc/31/03/09/221310309.db2.gz UPEFGYAPQXOOBX-SFHVURJKSA-N 2 1 312.461 2.812 20 0 DFADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294946825 224330717 /nfs/dbraw/zinc/33/07/17/224330717.db2.gz FEHNVBDVAYPTKQ-BPQIPLTHSA-N 2 1 304.503 2.892 20 0 DFADMP C[C@@H]1CC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C[NH2+]1 ZINC000629538422 399640102 /nfs/dbraw/zinc/64/01/02/399640102.db2.gz JOLSHYUCANASRN-FPAYPSAMSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294948148 224332285 /nfs/dbraw/zinc/33/22/85/224332285.db2.gz HKZXDUISNHEZTP-DUZACMNTSA-N 2 1 315.461 2.643 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000629544937 399642376 /nfs/dbraw/zinc/64/23/76/399642376.db2.gz OEWJXLRZLGUCJI-ABHMUUKNSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000612471132 399659274 /nfs/dbraw/zinc/65/92/74/399659274.db2.gz UBJVEJPOEGDBCE-MRXNPFEDSA-N 2 1 321.509 2.584 20 0 DFADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)C1CCCCC1 ZINC000617344214 399669190 /nfs/dbraw/zinc/66/91/90/399669190.db2.gz DDDGDVFUSQHURI-OAHLLOKOSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCCCC1 ZINC000617344214 399669195 /nfs/dbraw/zinc/66/91/95/399669195.db2.gz DDDGDVFUSQHURI-OAHLLOKOSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCCCC1 ZINC000617344214 399669198 /nfs/dbraw/zinc/66/91/98/399669198.db2.gz DDDGDVFUSQHURI-OAHLLOKOSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000629546055 399644043 /nfs/dbraw/zinc/64/40/43/399644043.db2.gz OAXVAQADTYUXQX-OSAQELSMSA-N 2 1 311.832 2.788 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629560292 399649722 /nfs/dbraw/zinc/64/97/22/399649722.db2.gz FBQIORZUNRAJFP-UKRRQHHQSA-N 2 1 316.367 2.915 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629560292 399649728 /nfs/dbraw/zinc/64/97/28/399649728.db2.gz FBQIORZUNRAJFP-UKRRQHHQSA-N 2 1 316.367 2.915 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629566158 399652366 /nfs/dbraw/zinc/65/23/66/399652366.db2.gz MKGWEZQTLNFYIL-JSGCOSHPSA-N 2 1 302.340 2.525 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629566158 399652369 /nfs/dbraw/zinc/65/23/69/399652369.db2.gz MKGWEZQTLNFYIL-JSGCOSHPSA-N 2 1 302.340 2.525 20 0 DFADMP Cc1cc(C[N@@H+](C)CCOCC[NH3+])ccc1Oc1cccnc1 ZINC000629664126 399681965 /nfs/dbraw/zinc/68/19/65/399681965.db2.gz OQJSIRRMJIODJQ-UHFFFAOYSA-N 2 1 315.417 2.589 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1F ZINC000629669890 399684073 /nfs/dbraw/zinc/68/40/73/399684073.db2.gz YVHCFIHYXVDAEG-ZMYBRWDISA-N 2 1 320.452 2.944 20 0 DFADMP COC(=O)c1ccoc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603113165 399684794 /nfs/dbraw/zinc/68/47/94/399684794.db2.gz YYNZEYDTPBNWIO-UHFFFAOYSA-N 2 1 308.422 2.764 20 0 DFADMP COC(=O)c1ccoc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603113165 399684797 /nfs/dbraw/zinc/68/47/97/399684797.db2.gz YYNZEYDTPBNWIO-UHFFFAOYSA-N 2 1 308.422 2.764 20 0 DFADMP C[C@@H]([NH3+])Cc1cccc(-c2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000629735118 399707459 /nfs/dbraw/zinc/70/74/59/399707459.db2.gz ITPWYSNDMKRIIU-QGZVFWFLSA-N 2 1 323.484 2.991 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000090417516 542537034 /nfs/dbraw/zinc/53/70/34/542537034.db2.gz WIIGIZUANSEQGQ-TZMCWYRMSA-N 2 1 309.479 2.603 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)s1 ZINC000090526704 542537050 /nfs/dbraw/zinc/53/70/50/542537050.db2.gz TYJKVPGEBADKPJ-RCBQFDQVSA-N 2 1 323.506 2.870 20 0 DFADMP C[C@@H]1CO[C@@H](C)C[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092018387 542544061 /nfs/dbraw/zinc/54/40/61/542544061.db2.gz UHJSMAYGQOJYPR-SJORKVTESA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092018387 542544065 /nfs/dbraw/zinc/54/40/65/542544065.db2.gz UHJSMAYGQOJYPR-SJORKVTESA-N 2 1 318.461 2.770 20 0 DFADMP CC1=C(C)C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617502443 399719306 /nfs/dbraw/zinc/71/93/06/399719306.db2.gz PHVQFOILNQYIJL-DLBZAZTESA-N 2 1 309.498 2.511 20 0 DFADMP CC1=C(C)C[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617502443 399719309 /nfs/dbraw/zinc/71/93/09/399719309.db2.gz PHVQFOILNQYIJL-DLBZAZTESA-N 2 1 309.498 2.511 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099289 285347618 /nfs/dbraw/zinc/34/76/18/285347618.db2.gz WQIIVEKMDFJVJP-IPELMVKDSA-N 2 1 324.472 2.767 20 0 DFADMP CC[C@](C)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348102001 285350058 /nfs/dbraw/zinc/35/00/58/285350058.db2.gz KFLCNGUXLPDWHJ-XVLXNVKGSA-N 2 1 302.462 2.933 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000121835993 195358098 /nfs/dbraw/zinc/35/80/98/195358098.db2.gz SRUGRGCNJUOOAD-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348131041 285370674 /nfs/dbraw/zinc/37/06/74/285370674.db2.gz ZFVZVZOMNHXTPX-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348131041 285370684 /nfs/dbraw/zinc/37/06/84/285370684.db2.gz ZFVZVZOMNHXTPX-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062514 399741793 /nfs/dbraw/zinc/74/17/93/399741793.db2.gz VLDPCBHQNPSRRY-MRXNPFEDSA-N 2 1 319.493 2.827 20 0 DFADMP c1cc(C[NH2+]CCC[NH+]2CCCC2)n(CCc2ccccc2)n1 ZINC000621326479 399755120 /nfs/dbraw/zinc/75/51/20/399755120.db2.gz JYERJTMSFGEMKB-UHFFFAOYSA-N 2 1 312.461 2.701 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000124008610 542595221 /nfs/dbraw/zinc/59/52/21/542595221.db2.gz QSFXTWKNNQYBNE-INIZCTEOSA-N 3 1 303.494 2.958 20 0 DFADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCCO1 ZINC000128121435 542617041 /nfs/dbraw/zinc/61/70/41/542617041.db2.gz ALWUPEKOQPYJMA-IBGZPJMESA-N 2 1 318.461 2.772 20 0 DFADMP C[NH+](C)[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000423936898 296467978 /nfs/dbraw/zinc/46/79/78/296467978.db2.gz DLYZQFRQGWMYMG-HOTGVXAUSA-N 2 1 323.868 2.576 20 0 DFADMP O[C@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000603556882 399789422 /nfs/dbraw/zinc/78/94/22/399789422.db2.gz FFWAAOBZOCYPJA-MOPGFXCFSA-N 2 1 317.477 2.749 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1 ZINC000299546484 132110409 /nfs/dbraw/zinc/11/04/09/132110409.db2.gz CAHBOHAQXZZNAP-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP c1cnn(Cc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166048270 542750081 /nfs/dbraw/zinc/75/00/81/542750081.db2.gz CFCKARABVQUEQN-RBUKOAKNSA-N 2 1 310.445 2.648 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166228882 542750300 /nfs/dbraw/zinc/75/03/00/542750300.db2.gz SYAQSHDEZHVDPJ-QZTJIDSGSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)[C@H](C)O1 ZINC000682168461 545810730 /nfs/dbraw/zinc/81/07/30/545810730.db2.gz ARFUTLMXXDLGIM-PMPSAXMXSA-N 2 1 306.450 2.625 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000167541491 542753580 /nfs/dbraw/zinc/75/35/80/542753580.db2.gz LWFQCDFMOTZHNJ-WMZOPIPTSA-N 2 1 317.477 2.544 20 0 DFADMP CCc1nn(C)cc1C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000179989243 542782626 /nfs/dbraw/zinc/78/26/26/542782626.db2.gz MAPUHEHSBLZZRB-OAHLLOKOSA-N 2 1 313.449 2.620 20 0 DFADMP CCc1nn(C)cc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000179989243 542782629 /nfs/dbraw/zinc/78/26/29/542782629.db2.gz MAPUHEHSBLZZRB-OAHLLOKOSA-N 2 1 313.449 2.620 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H]2CCCO[C@@H]2c2nccn2CC)CC1 ZINC000190434406 542838187 /nfs/dbraw/zinc/83/81/87/542838187.db2.gz XVGSDMCDCOEZEA-IRXDYDNUSA-N 2 1 320.481 2.587 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccccc1 ZINC000208290322 542868992 /nfs/dbraw/zinc/86/89/92/542868992.db2.gz AXDPKQKHYLQTAV-ZCNNSNEGSA-N 2 1 310.441 2.754 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH3+])o2)c1 ZINC000236664893 542895459 /nfs/dbraw/zinc/89/54/59/542895459.db2.gz HHHOPRBTTHFILM-UHFFFAOYSA-N 2 1 315.417 2.509 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000268896391 542961640 /nfs/dbraw/zinc/96/16/40/542961640.db2.gz KFIGENIRJABTKZ-SJLPKXTDSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)[C@@H]1CCCC[C@H]1O ZINC000270509123 542963385 /nfs/dbraw/zinc/96/33/85/542963385.db2.gz RGUYEJJKFNKMRJ-IPMKNSEASA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[C@@H]1CCCC[C@H]1O ZINC000270509123 542963389 /nfs/dbraw/zinc/96/33/89/542963389.db2.gz RGUYEJJKFNKMRJ-IPMKNSEASA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[C@H]1O ZINC000270509123 542963392 /nfs/dbraw/zinc/96/33/92/542963392.db2.gz RGUYEJJKFNKMRJ-IPMKNSEASA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000309817094 543066045 /nfs/dbraw/zinc/06/60/45/543066045.db2.gz OJUAHVRSYWMKCF-ZHALLVOQSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309817094 543066048 /nfs/dbraw/zinc/06/60/48/543066048.db2.gz OJUAHVRSYWMKCF-ZHALLVOQSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309817094 543066051 /nfs/dbraw/zinc/06/60/51/543066051.db2.gz OJUAHVRSYWMKCF-ZHALLVOQSA-N 2 1 303.494 2.968 20 0 DFADMP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000309888649 543067037 /nfs/dbraw/zinc/06/70/37/543067037.db2.gz CTKWEANBLXCBBF-DYKAAJRGSA-N 2 1 300.446 2.664 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc(F)c1 ZINC000321266009 543084977 /nfs/dbraw/zinc/08/49/77/543084977.db2.gz GNKCKVZIOXPIEK-PBHICJAKSA-N 2 1 319.424 2.618 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000321352628 543085421 /nfs/dbraw/zinc/08/54/21/543085421.db2.gz YHCLDQOGHLHERD-LPHOPBHVSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000322072424 543088131 /nfs/dbraw/zinc/08/81/31/543088131.db2.gz FUZHRGKWNBGDJB-NVXWUHKLSA-N 2 1 318.461 2.976 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000322072424 543088132 /nfs/dbraw/zinc/08/81/32/543088132.db2.gz FUZHRGKWNBGDJB-NVXWUHKLSA-N 2 1 318.461 2.976 20 0 DFADMP CCC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000328218214 543095409 /nfs/dbraw/zinc/09/54/09/543095409.db2.gz XNJMUIFJPLBTPO-IBGZPJMESA-N 2 1 301.478 2.725 20 0 DFADMP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065848 543139040 /nfs/dbraw/zinc/13/90/40/543139040.db2.gz CSNGDJREPOVALQ-SJORKVTESA-N 2 1 301.434 2.587 20 0 DFADMP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065848 543139043 /nfs/dbraw/zinc/13/90/43/543139043.db2.gz CSNGDJREPOVALQ-SJORKVTESA-N 2 1 301.434 2.587 20 0 DFADMP c1cc(OCC2CC2)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339065846 543139053 /nfs/dbraw/zinc/13/90/53/543139053.db2.gz CSNGDJREPOVALQ-IRXDYDNUSA-N 2 1 301.434 2.587 20 0 DFADMP c1cc(OCC2CC2)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065846 543139055 /nfs/dbraw/zinc/13/90/55/543139055.db2.gz CSNGDJREPOVALQ-IRXDYDNUSA-N 2 1 301.434 2.587 20 0 DFADMP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339067813 543139462 /nfs/dbraw/zinc/13/94/62/543139462.db2.gz JCWNPZDTDJIYRH-ILXRZTDVSA-N 2 1 321.415 2.760 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]2CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069646 543139560 /nfs/dbraw/zinc/13/95/60/543139560.db2.gz YUTWNLHHIUMKSL-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H]2CN[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069646 543139563 /nfs/dbraw/zinc/13/95/63/543139563.db2.gz YUTWNLHHIUMKSL-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]2CN[C@H]2CC[NH+]3CCC[C@H]3C2)cc1 ZINC000339069646 543139566 /nfs/dbraw/zinc/13/95/66/543139566.db2.gz YUTWNLHHIUMKSL-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339069646 543139568 /nfs/dbraw/zinc/13/95/68/543139568.db2.gz YUTWNLHHIUMKSL-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339069646 543139570 /nfs/dbraw/zinc/13/95/70/543139570.db2.gz YUTWNLHHIUMKSL-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+](C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070218 543139713 /nfs/dbraw/zinc/13/97/13/543139713.db2.gz ZNXRIXXTNGPFSW-OKZBNKHCSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070218 543139714 /nfs/dbraw/zinc/13/97/14/543139714.db2.gz ZNXRIXXTNGPFSW-OKZBNKHCSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070218 543139716 /nfs/dbraw/zinc/13/97/16/543139716.db2.gz ZNXRIXXTNGPFSW-OKZBNKHCSA-N 2 1 305.441 2.645 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339068346 543139751 /nfs/dbraw/zinc/13/97/51/543139751.db2.gz FQCYKVDKIXJTBK-OAGGEKHMSA-N 2 1 304.434 2.679 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068976 543140088 /nfs/dbraw/zinc/14/00/88/543140088.db2.gz SYAQSHDEZHVDPJ-ROUUACIJSA-N 2 1 321.509 2.630 20 0 DFADMP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339073797 543140747 /nfs/dbraw/zinc/14/07/47/543140747.db2.gz FHLCNCKSJPJQCC-AYBZRNKSSA-N 2 1 317.452 2.868 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000339250993 543141724 /nfs/dbraw/zinc/14/17/24/543141724.db2.gz QANLEWJZVZFRLY-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000339250993 543141728 /nfs/dbraw/zinc/14/17/28/543141728.db2.gz QANLEWJZVZFRLY-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000339250993 543141731 /nfs/dbraw/zinc/14/17/31/543141731.db2.gz QANLEWJZVZFRLY-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633149190 399857558 /nfs/dbraw/zinc/85/75/58/399857558.db2.gz FLRISLLZBFPAMT-AWEZNQCLSA-N 2 1 314.433 2.927 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(COC)o2)[C@H](C)C1 ZINC000344429769 543172645 /nfs/dbraw/zinc/17/26/45/543172645.db2.gz KCKVSIRMRZRCFU-QAPCUYQASA-N 2 1 324.465 2.653 20 0 DFADMP CC1=C[C@@H](C)C[C@H](C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000352845365 543232080 /nfs/dbraw/zinc/23/20/80/543232080.db2.gz IGOYPMNNHZLPQI-WBVHZDCISA-N 2 1 321.509 2.511 20 0 DFADMP CC(C)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000354332731 543243204 /nfs/dbraw/zinc/24/32/04/543243204.db2.gz VODVDPQZXURZTC-WMZOPIPTSA-N 2 1 323.525 2.734 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000355043909 543246347 /nfs/dbraw/zinc/24/63/47/543246347.db2.gz TVGQQOQRBYTTPW-UHFFFAOYSA-N 2 1 316.371 2.506 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379642523 543297537 /nfs/dbraw/zinc/29/75/37/543297537.db2.gz AEZYGEDYIVZTCO-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379642523 543297538 /nfs/dbraw/zinc/29/75/38/543297538.db2.gz AEZYGEDYIVZTCO-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379642523 543297539 /nfs/dbraw/zinc/29/75/39/543297539.db2.gz AEZYGEDYIVZTCO-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379642523 543297540 /nfs/dbraw/zinc/29/75/40/543297540.db2.gz AEZYGEDYIVZTCO-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP CCn1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000383737203 543298715 /nfs/dbraw/zinc/29/87/15/543298715.db2.gz XKYPJBSXJPJKFT-YSIASYRMSA-N 2 1 324.472 2.903 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000165347139 145229188 /nfs/dbraw/zinc/22/91/88/145229188.db2.gz JCAVKIUHBRDUSB-HKUYNNGSSA-N 2 1 316.489 2.956 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000165348960 145229372 /nfs/dbraw/zinc/22/93/72/145229372.db2.gz RATNOQAJSFUNSQ-IEBWSBKVSA-N 2 1 302.462 2.566 20 0 DFADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000414328092 543325548 /nfs/dbraw/zinc/32/55/48/543325548.db2.gz PRPBVWIPMUVTIY-SFHVURJKSA-N 2 1 324.472 2.693 20 0 DFADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000414328092 543325550 /nfs/dbraw/zinc/32/55/50/543325550.db2.gz PRPBVWIPMUVTIY-SFHVURJKSA-N 2 1 324.472 2.693 20 0 DFADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415025128 543328407 /nfs/dbraw/zinc/32/84/07/543328407.db2.gz ZPKQZVWRQWLKAP-UWVGGRQHSA-N 2 1 308.223 2.823 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415025133 543328456 /nfs/dbraw/zinc/32/84/56/543328456.db2.gz ZPKQZVWRQWLKAP-ZJUUUORDSA-N 2 1 308.223 2.823 20 0 DFADMP C[C@H](CCCC[NH3+])Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630516427 399897588 /nfs/dbraw/zinc/89/75/88/399897588.db2.gz FPXGJJZEMVNYND-CQSZACIVSA-N 2 1 311.433 2.926 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000630559099 399903195 /nfs/dbraw/zinc/90/31/95/399903195.db2.gz OVAAJZAENNOLTP-KOLCDFICSA-N 2 1 306.207 2.923 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631043461 399968351 /nfs/dbraw/zinc/96/83/51/399968351.db2.gz XCGFAGCFVJRPRT-IYBDPMFKSA-N 2 1 318.509 2.757 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631043461 399968352 /nfs/dbraw/zinc/96/83/52/399968352.db2.gz XCGFAGCFVJRPRT-IYBDPMFKSA-N 2 1 318.509 2.757 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+]3[C@@H](C)CC[C@@H]3C)C2)CC[N@H+]1C ZINC000630853203 399939435 /nfs/dbraw/zinc/93/94/35/399939435.db2.gz SBECENJVEVTEHT-KFGODFMUSA-N 2 1 321.509 2.581 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000631192804 399999984 /nfs/dbraw/zinc/99/99/84/399999984.db2.gz AMVVQKSBKAQESI-MAUKXSAKSA-N 2 1 312.461 2.586 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000631192804 399999985 /nfs/dbraw/zinc/99/99/85/399999985.db2.gz AMVVQKSBKAQESI-MAUKXSAKSA-N 2 1 312.461 2.586 20 0 DFADMP CC[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000628211725 400002000 /nfs/dbraw/zinc/00/20/00/400002000.db2.gz DBTCTJHPSGZSCZ-SJORKVTESA-N 2 1 323.525 2.735 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H](O)C(F)F ZINC000631216910 400006216 /nfs/dbraw/zinc/00/62/16/400006216.db2.gz OZYKCMMAABIKAY-OAHLLOKOSA-N 2 1 314.420 2.750 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)CC1 ZINC000631221838 400007426 /nfs/dbraw/zinc/00/74/26/400007426.db2.gz LFEBUDQWCKMFOQ-ARFHVFGLSA-N 2 1 321.262 2.771 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C)cc2C[NH+](C)C)CC[N@H+]1C ZINC000631296601 400019956 /nfs/dbraw/zinc/01/99/56/400019956.db2.gz IXCGUGZNEBWLDO-DOTOQJQBSA-N 2 1 303.450 2.725 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337280 400022376 /nfs/dbraw/zinc/02/23/76/400022376.db2.gz ATDISPLRWPCRPV-SUMWQHHRSA-N 2 1 324.415 2.777 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000631607901 400057744 /nfs/dbraw/zinc/05/77/44/400057744.db2.gz WBMOYZYHYJGURB-DZGCQCFKSA-N 2 1 313.401 2.710 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631663344 400063683 /nfs/dbraw/zinc/06/36/83/400063683.db2.gz IOHFEHWIGLHPPR-YQVWRLOYSA-N 2 1 312.461 2.629 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000631673226 400064934 /nfs/dbraw/zinc/06/49/34/400064934.db2.gz RSCNSVMIJHYRPS-USYVTKNRSA-N 2 1 314.473 2.790 20 0 DFADMP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000631681477 400065398 /nfs/dbraw/zinc/06/53/98/400065398.db2.gz ZHNZABMOBYZXNS-MJGOQNOKSA-N 2 1 324.509 2.551 20 0 DFADMP O[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000631697965 400067702 /nfs/dbraw/zinc/06/77/02/400067702.db2.gz AHAPRMJFAFGWRN-HMQMGEFJSA-N 2 1 324.415 2.788 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@H](O)C(F)(F)F ZINC000631718638 400069839 /nfs/dbraw/zinc/06/98/39/400069839.db2.gz KEJOMWXMDSYMRM-DHMWGJHJSA-N 2 1 322.415 2.931 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631811135 400077230 /nfs/dbraw/zinc/07/72/30/400077230.db2.gz RLMUSIKGXREWJD-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631811134 400077249 /nfs/dbraw/zinc/07/72/49/400077249.db2.gz RLMUSIKGXREWJD-LULLPPNCSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000631821576 400077549 /nfs/dbraw/zinc/07/75/49/400077549.db2.gz CDTPMVYISHWLAQ-HLLBOEOZSA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000631821576 400077550 /nfs/dbraw/zinc/07/75/50/400077550.db2.gz CDTPMVYISHWLAQ-HLLBOEOZSA-N 2 1 305.466 2.558 20 0 DFADMP [NH3+][C@H]1CCCCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000631832322 400078369 /nfs/dbraw/zinc/07/83/69/400078369.db2.gz CWFDWJTZYIXMAP-INIZCTEOSA-N 2 1 314.433 2.873 20 0 DFADMP [NH3+][C@H]1CCCCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000631832322 400078370 /nfs/dbraw/zinc/07/83/70/400078370.db2.gz CWFDWJTZYIXMAP-INIZCTEOSA-N 2 1 314.433 2.873 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833956 400078609 /nfs/dbraw/zinc/07/86/09/400078609.db2.gz MHQAGBOKAYQEFV-CQSZACIVSA-N 2 1 307.413 2.666 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833956 400078610 /nfs/dbraw/zinc/07/86/10/400078610.db2.gz MHQAGBOKAYQEFV-CQSZACIVSA-N 2 1 307.413 2.666 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236748497 146026227 /nfs/dbraw/zinc/02/62/27/146026227.db2.gz RRXKFJYCNRIYSC-DOTOQJQBSA-N 2 1 305.466 2.531 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236774208 146027143 /nfs/dbraw/zinc/02/71/43/146027143.db2.gz JBJYWNYTZBZFRY-QGZVFWFLSA-N 2 1 305.466 2.661 20 0 DFADMP C[C@H](CCNC(=O)[C@]1(C)CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000237459700 146044395 /nfs/dbraw/zinc/04/43/95/146044395.db2.gz QTRLXFDEVLUOJD-APWZRJJASA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245429773 146070289 /nfs/dbraw/zinc/07/02/89/146070289.db2.gz NHEWQIQGCLMXTQ-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245429773 146070290 /nfs/dbraw/zinc/07/02/90/146070290.db2.gz NHEWQIQGCLMXTQ-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245629687 146088784 /nfs/dbraw/zinc/08/87/84/146088784.db2.gz PRDVDECIEFDTJY-WBVHZDCISA-N 2 1 301.438 2.751 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245629687 146088787 /nfs/dbraw/zinc/08/87/87/146088787.db2.gz PRDVDECIEFDTJY-WBVHZDCISA-N 2 1 301.438 2.751 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000245847042 146104676 /nfs/dbraw/zinc/10/46/76/146104676.db2.gz FSWQMBSJDCJMJM-KBMXLJTQSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000245847042 146104677 /nfs/dbraw/zinc/10/46/77/146104677.db2.gz FSWQMBSJDCJMJM-KBMXLJTQSA-N 2 1 307.869 2.991 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000246089107 146119175 /nfs/dbraw/zinc/11/91/75/146119175.db2.gz NNPYUYOJYWUYGZ-OALUTQOASA-N 2 1 302.462 2.964 20 0 DFADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000246097249 146120424 /nfs/dbraw/zinc/12/04/24/146120424.db2.gz AWPIJLDLTXAIJP-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000246116850 146121220 /nfs/dbraw/zinc/12/12/20/146121220.db2.gz YDTPKDKEJARDJA-WMZOPIPTSA-N 2 1 322.493 2.916 20 0 DFADMP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000247085106 146160778 /nfs/dbraw/zinc/16/07/78/146160778.db2.gz RDXPZZADBCRWDS-GVDBMIGSSA-N 2 1 317.477 2.594 20 0 DFADMP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247085095 146160941 /nfs/dbraw/zinc/16/09/41/146160941.db2.gz RDXPZZADBCRWDS-BRWVUGGUSA-N 2 1 317.477 2.594 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000247371384 146167403 /nfs/dbraw/zinc/16/74/03/146167403.db2.gz RXORZUQGMLUISJ-WBVHZDCISA-N 2 1 306.450 2.583 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(Br)o3)CC[C@H]21 ZINC000248879913 146173684 /nfs/dbraw/zinc/17/36/84/146173684.db2.gz PBVSMQNTPXGKCQ-DGCLKSJQSA-N 2 1 313.239 2.958 20 0 DFADMP OCC1([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000248997931 146181729 /nfs/dbraw/zinc/18/17/29/146181729.db2.gz PQVAMKDVJSBICS-NNZMDNLPSA-N 2 1 300.446 2.687 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000453397068 543372124 /nfs/dbraw/zinc/37/21/24/543372124.db2.gz JFZIEMKBHBRYKV-MJGOQNOKSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000453397068 543372125 /nfs/dbraw/zinc/37/21/25/543372125.db2.gz JFZIEMKBHBRYKV-MJGOQNOKSA-N 2 1 310.445 2.753 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000250672671 146211472 /nfs/dbraw/zinc/21/14/72/146211472.db2.gz NKWQVQVRQCQJPP-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000250672671 146211474 /nfs/dbraw/zinc/21/14/74/146211474.db2.gz NKWQVQVRQCQJPP-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000250672671 146211477 /nfs/dbraw/zinc/21/14/77/146211477.db2.gz NKWQVQVRQCQJPP-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000250672671 146211478 /nfs/dbraw/zinc/21/14/78/146211478.db2.gz NKWQVQVRQCQJPP-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261539648 146237709 /nfs/dbraw/zinc/23/77/09/146237709.db2.gz CXLNSPIIDSMLBU-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)s1 ZINC000261586247 146242689 /nfs/dbraw/zinc/24/26/89/146242689.db2.gz QXBLHWOFKGDAIR-SNVBAGLBSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261584997 146242939 /nfs/dbraw/zinc/24/29/39/146242939.db2.gz STNAMPVNPLOCMM-GZBFAFLISA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1Br ZINC000261584997 146242941 /nfs/dbraw/zinc/24/29/41/146242941.db2.gz STNAMPVNPLOCMM-GZBFAFLISA-N 2 1 309.251 2.927 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H](c3ccccc3)[C@H]([NH3+])C2)c1C ZINC000261602978 146244384 /nfs/dbraw/zinc/24/43/84/146244384.db2.gz ASYMZXUPSMFGKK-DLBZAZTESA-N 2 1 311.429 2.634 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261626921 146249562 /nfs/dbraw/zinc/24/95/62/146249562.db2.gz HFTUBZDRRULYJV-GXTWGEPZSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261626921 146249566 /nfs/dbraw/zinc/24/95/66/146249566.db2.gz HFTUBZDRRULYJV-GXTWGEPZSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000261638427 146251346 /nfs/dbraw/zinc/25/13/46/146251346.db2.gz AAJXCUDCGFLBAH-VXGBXAGGSA-N 2 1 316.371 2.608 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000261643790 146252298 /nfs/dbraw/zinc/25/22/98/146252298.db2.gz GOFRNHBGWKGCGN-INIZCTEOSA-N 2 1 320.824 2.603 20 0 DFADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261641493 146252716 /nfs/dbraw/zinc/25/27/16/146252716.db2.gz IQFQZJLRZGBPPL-OCCSQVGLSA-N 2 1 311.832 2.520 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000261648404 146253311 /nfs/dbraw/zinc/25/33/11/146253311.db2.gz AWTIYCQUKPFEEY-INIZCTEOSA-N 2 1 312.461 2.827 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261656335 146254805 /nfs/dbraw/zinc/25/48/05/146254805.db2.gz BITWOPBOXHSSNH-CGTJXYLNSA-N 2 1 310.445 2.565 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@H]12 ZINC000261688860 146259616 /nfs/dbraw/zinc/25/96/16/146259616.db2.gz NFOAAQGYRHLRLR-WCFLWFBJSA-N 2 1 300.324 2.754 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@H]12 ZINC000261688860 146259619 /nfs/dbraw/zinc/25/96/19/146259619.db2.gz NFOAAQGYRHLRLR-WCFLWFBJSA-N 2 1 300.324 2.754 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]12 ZINC000261688850 146259891 /nfs/dbraw/zinc/25/98/91/146259891.db2.gz NFOAAQGYRHLRLR-CYZMBNFOSA-N 2 1 300.324 2.754 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]12 ZINC000261688850 146259893 /nfs/dbraw/zinc/25/98/93/146259893.db2.gz NFOAAQGYRHLRLR-CYZMBNFOSA-N 2 1 300.324 2.754 20 0 DFADMP CC[N@@H+](Cc1ccc(-c2nc(C[C@H](C)[NH2+]C)no2)cc1)C1CC1 ZINC000261703408 146262610 /nfs/dbraw/zinc/26/26/10/146262610.db2.gz IENKJALTSZHXTM-ZDUSSCGKSA-N 2 1 314.433 2.871 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261714876 146265314 /nfs/dbraw/zinc/26/53/14/146265314.db2.gz JOUURXZNYGRUTG-HRCADAONSA-N 2 1 309.498 2.521 20 0 DFADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261733529 146268500 /nfs/dbraw/zinc/26/85/00/146268500.db2.gz RLTYTSVUWYFYAJ-IAGOWNOFSA-N 2 1 307.869 2.771 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C[C@@H]1CCC[NH2+]C1 ZINC000261774093 146274887 /nfs/dbraw/zinc/27/48/87/146274887.db2.gz DYQJCQXKAMGNDV-ZHALLVOQSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811307 146280617 /nfs/dbraw/zinc/28/06/17/146280617.db2.gz HQJODULEHMZSCD-JKSUJKDBSA-N 2 1 312.461 2.955 20 0 DFADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261841567 146287958 /nfs/dbraw/zinc/28/79/58/146287958.db2.gz ALCMEQXHSOUJQG-XQQFMLRXSA-N 2 1 300.855 2.648 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261865289 146292121 /nfs/dbraw/zinc/29/21/21/146292121.db2.gz RPTQMWFUZBWSDX-RDJZCZTQSA-N 2 1 317.477 2.728 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261876066 146293192 /nfs/dbraw/zinc/29/31/92/146293192.db2.gz XXSWJOSMFSUGCA-MSOLQXFVSA-N 2 1 320.440 2.817 20 0 DFADMP Nc1ncc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000261906355 146299330 /nfs/dbraw/zinc/29/93/30/146299330.db2.gz HAKBSHJEJPPAPO-LBPRGKRZSA-N 2 1 317.462 2.638 20 0 DFADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261912105 146300261 /nfs/dbraw/zinc/30/02/61/146300261.db2.gz YMLYGPXHGVQMBR-ZWKOTPCHSA-N 2 1 308.441 2.817 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261960178 146310014 /nfs/dbraw/zinc/31/00/14/146310014.db2.gz PNMWJQODPZSTJJ-MDNKFWRPSA-N 2 1 314.473 2.853 20 0 DFADMP CCC[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@@]1(C)CC[NH2+]C1 ZINC000261970982 146311098 /nfs/dbraw/zinc/31/10/98/146311098.db2.gz IFINKKUAHXYQKJ-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261975752 146313036 /nfs/dbraw/zinc/31/30/36/146313036.db2.gz RCCINRIIXBPGHG-UAGQMJEPSA-N 2 1 308.853 2.629 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000261993122 146318799 /nfs/dbraw/zinc/31/87/99/146318799.db2.gz KNRAWYXZWWXWCR-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000261993122 146318801 /nfs/dbraw/zinc/31/88/01/146318801.db2.gz KNRAWYXZWWXWCR-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP FC(F)(F)c1cc([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000262000935 146321260 /nfs/dbraw/zinc/32/12/60/146321260.db2.gz UCRYZIFJZFWYDD-NEPJUHHUSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262011612 146322328 /nfs/dbraw/zinc/32/23/28/146322328.db2.gz VPSPAFOFQYJPPV-PCGVCOGMSA-N 2 1 320.399 2.854 20 0 DFADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2cccs2)n1 ZINC000262017760 146322623 /nfs/dbraw/zinc/32/26/23/146322623.db2.gz MXPJNQMMGMVIDU-UHFFFAOYSA-N 2 1 316.474 2.724 20 0 DFADMP c1csc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000262021511 146323538 /nfs/dbraw/zinc/32/35/38/146323538.db2.gz XPEJRRKKECWXKF-CYBMUJFWSA-N 2 1 318.446 2.762 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1(CC)CC ZINC000262043531 146325988 /nfs/dbraw/zinc/32/59/88/146325988.db2.gz YUZNOSDUJUWKIZ-OBVSXPTNSA-N 2 1 324.509 2.717 20 0 DFADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262038460 146326345 /nfs/dbraw/zinc/32/63/45/146326345.db2.gz YGESVIRWWPPORW-FQKPHLNHSA-N 2 1 320.399 2.854 20 0 DFADMP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262049929 146327670 /nfs/dbraw/zinc/32/76/70/146327670.db2.gz ZOJSZTQFNOTVNI-KZNAEPCWSA-N 2 1 320.502 2.834 20 0 DFADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000262076728 146330970 /nfs/dbraw/zinc/33/09/70/146330970.db2.gz SOWGSNBIROSPHG-AWEZNQCLSA-N 2 1 307.463 2.570 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096538 146333433 /nfs/dbraw/zinc/33/34/33/146333433.db2.gz HZAKBIRLFFKMDC-RYUDHWBXSA-N 2 1 300.805 2.917 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096538 146333436 /nfs/dbraw/zinc/33/34/36/146333436.db2.gz HZAKBIRLFFKMDC-RYUDHWBXSA-N 2 1 300.805 2.917 20 0 DFADMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262111156 146334022 /nfs/dbraw/zinc/33/40/22/146334022.db2.gz JUOYKGRNPJGUPN-QGTPRVQTSA-N 2 1 304.434 2.523 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262109061 146334127 /nfs/dbraw/zinc/33/41/27/146334127.db2.gz JPXFHTGGTBOALP-QEJZJMRPSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262109061 146334132 /nfs/dbraw/zinc/33/41/32/146334132.db2.gz JPXFHTGGTBOALP-QEJZJMRPSA-N 2 1 321.852 2.646 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262112469 146334811 /nfs/dbraw/zinc/33/48/11/146334811.db2.gz WQABEFSJJPMPGR-IEBWSBKVSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262112469 146334814 /nfs/dbraw/zinc/33/48/14/146334814.db2.gz WQABEFSJJPMPGR-IEBWSBKVSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262112469 146334818 /nfs/dbraw/zinc/33/48/18/146334818.db2.gz WQABEFSJJPMPGR-IEBWSBKVSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262120509 146335286 /nfs/dbraw/zinc/33/52/86/146335286.db2.gz MBDQVWCGKYLDHO-IEZWGBDMSA-N 2 1 318.461 2.804 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262120516 146335868 /nfs/dbraw/zinc/33/58/68/146335868.db2.gz MBDQVWCGKYLDHO-VDZJLULYSA-N 2 1 318.461 2.804 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262372785 146354844 /nfs/dbraw/zinc/35/48/44/146354844.db2.gz XPWXSDYHXDHGJM-QEJZJMRPSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262372785 146354845 /nfs/dbraw/zinc/35/48/45/146354845.db2.gz XPWXSDYHXDHGJM-QEJZJMRPSA-N 2 1 321.852 2.646 20 0 DFADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000262552892 146370230 /nfs/dbraw/zinc/37/02/30/146370230.db2.gz STHJBPVBWXNLGZ-CVEARBPZSA-N 2 1 304.434 2.538 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262560883 146371624 /nfs/dbraw/zinc/37/16/24/146371624.db2.gz VLLFYPTWBQUWIB-WBAXXEDZSA-N 2 1 304.434 2.523 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC(F)F ZINC000262582371 146375223 /nfs/dbraw/zinc/37/52/23/146375223.db2.gz ZDSJBBPQGQBSRQ-INIZCTEOSA-N 2 1 314.376 2.857 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)ccc1OC(F)F ZINC000262582371 146375229 /nfs/dbraw/zinc/37/52/29/146375229.db2.gz ZDSJBBPQGQBSRQ-INIZCTEOSA-N 2 1 314.376 2.857 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000262718112 146385338 /nfs/dbraw/zinc/38/53/38/146385338.db2.gz XDEKMKCCPWTIIS-KBXCAEBGSA-N 2 1 319.449 2.536 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000262718114 146385693 /nfs/dbraw/zinc/38/56/93/146385693.db2.gz XDEKMKCCPWTIIS-KDOFPFPSSA-N 2 1 319.449 2.536 20 0 DFADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCSCC1 ZINC000354345737 147002314 /nfs/dbraw/zinc/00/23/14/147002314.db2.gz DGRIHDUMGLHLRQ-HNNXBMFYSA-N 2 1 312.523 2.753 20 0 DFADMP CC(C)[NH+](CCCNC(=O)CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000354372171 147012050 /nfs/dbraw/zinc/01/20/50/147012050.db2.gz LUVHCLVVDADMRI-QGZVFWFLSA-N 2 1 311.514 2.876 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)[C@H]1C ZINC000354490070 147055839 /nfs/dbraw/zinc/05/58/39/147055839.db2.gz BWWQSSYGLZUZSI-DKIMLUQUSA-N 2 1 322.493 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]1C ZINC000354490070 147055842 /nfs/dbraw/zinc/05/58/42/147055842.db2.gz BWWQSSYGLZUZSI-DKIMLUQUSA-N 2 1 322.493 2.818 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354663794 147109167 /nfs/dbraw/zinc/10/91/67/147109167.db2.gz YUGBJNJTPTUSMS-JUFZMCDQSA-N 2 1 314.882 2.550 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354663794 147109170 /nfs/dbraw/zinc/10/91/70/147109170.db2.gz YUGBJNJTPTUSMS-JUFZMCDQSA-N 2 1 314.882 2.550 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355308853 147259690 /nfs/dbraw/zinc/25/96/90/147259690.db2.gz GBONLYKUXNRZBJ-MJGOQNOKSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355308853 147259694 /nfs/dbraw/zinc/25/96/94/147259694.db2.gz GBONLYKUXNRZBJ-MJGOQNOKSA-N 2 1 303.494 2.971 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000533878501 543436474 /nfs/dbraw/zinc/43/64/74/543436474.db2.gz IWKKSGXPCXUNRD-JTOWHCCKSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000533878501 543436477 /nfs/dbraw/zinc/43/64/77/543436477.db2.gz IWKKSGXPCXUNRD-JTOWHCCKSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[NH+]1[C@H](C)CC[C@@H]1C ZINC000533878501 543436480 /nfs/dbraw/zinc/43/64/80/543436480.db2.gz IWKKSGXPCXUNRD-JTOWHCCKSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1[C@H](C)CC[C@@H]1C ZINC000533878501 543436481 /nfs/dbraw/zinc/43/64/81/543436481.db2.gz IWKKSGXPCXUNRD-JTOWHCCKSA-N 2 1 315.461 2.551 20 0 DFADMP Cc1cc(NC(=O)c2ccc(C[NH+](C)C)cc2)cn2cc[nH+]c12 ZINC000355418033 147308919 /nfs/dbraw/zinc/30/89/19/147308919.db2.gz LCKKSOFMKVMBNR-UHFFFAOYSA-N 2 1 308.385 2.957 20 0 DFADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCN3CC=CCC3)CC2)C1 ZINC000355510103 147342429 /nfs/dbraw/zinc/34/24/29/147342429.db2.gz HLKFWRGJEADRFR-PKOBYXMFSA-N 2 1 305.510 2.881 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(F)c(C)c2)CC1 ZINC000355653540 147399239 /nfs/dbraw/zinc/39/92/39/147399239.db2.gz QRKINSFIAJQABZ-UHFFFAOYSA-N 2 1 315.392 2.860 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621335154 543482859 /nfs/dbraw/zinc/48/28/59/543482859.db2.gz CTBQRJAUJJHOIF-GOSISDBHSA-N 2 1 312.461 2.557 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621335154 543482862 /nfs/dbraw/zinc/48/28/62/543482862.db2.gz CTBQRJAUJJHOIF-GOSISDBHSA-N 2 1 312.461 2.557 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000358055171 148227822 /nfs/dbraw/zinc/22/78/22/148227822.db2.gz YXKYWPCFHUXVLE-UHFFFAOYSA-N 2 1 324.852 2.900 20 0 DFADMP CCn1nccc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350272554 286023336 /nfs/dbraw/zinc/02/33/36/286023336.db2.gz XQGPDRKHBBRSMH-UHFFFAOYSA-N 2 1 313.449 2.646 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@H](C)C1 ZINC000358168857 148268144 /nfs/dbraw/zinc/26/81/44/148268144.db2.gz OBTFXQPAMJNVRQ-ZACQAIPSSA-N 2 1 314.514 2.510 20 0 DFADMP CCC1CCC([N@@H+](C)CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000358199474 148281706 /nfs/dbraw/zinc/28/17/06/148281706.db2.gz SCOFXSBHNBKAPN-UHFFFAOYSA-N 2 1 323.525 2.876 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@@H](C)C1 ZINC000358209391 148286785 /nfs/dbraw/zinc/28/67/85/148286785.db2.gz WUSTUDCSMSBOFL-WMZOPIPTSA-N 2 1 320.477 2.661 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000358230114 148293607 /nfs/dbraw/zinc/29/36/07/148293607.db2.gz GSANKKSEQAQYRU-SJLPKXTDSA-N 2 1 308.441 2.959 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000358230114 148293611 /nfs/dbraw/zinc/29/36/11/148293611.db2.gz GSANKKSEQAQYRU-SJLPKXTDSA-N 2 1 308.441 2.959 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2C)[C@H](C)C1 ZINC000358253395 148305779 /nfs/dbraw/zinc/30/57/79/148305779.db2.gz OZNJBOKZOKVNSD-IEBWSBKVSA-N 2 1 319.493 2.659 20 0 DFADMP CCCCCn1cc(CN[C@@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)n1 ZINC000358269127 148312129 /nfs/dbraw/zinc/31/21/29/148312129.db2.gz TVOQDMKBPWEPON-KBXCAEBGSA-N 2 1 304.482 2.954 20 0 DFADMP CCCCCn1cc(CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)n1 ZINC000358269127 148312134 /nfs/dbraw/zinc/31/21/34/148312134.db2.gz TVOQDMKBPWEPON-KBXCAEBGSA-N 2 1 304.482 2.954 20 0 DFADMP CCCCCn1cc(CN[C@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)n1 ZINC000358269128 148312670 /nfs/dbraw/zinc/31/26/70/148312670.db2.gz TVOQDMKBPWEPON-KDOFPFPSSA-N 2 1 304.482 2.954 20 0 DFADMP CCCCCn1cc(CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)n1 ZINC000358269128 148312673 /nfs/dbraw/zinc/31/26/73/148312673.db2.gz TVOQDMKBPWEPON-KDOFPFPSSA-N 2 1 304.482 2.954 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000358281865 148316865 /nfs/dbraw/zinc/31/68/65/148316865.db2.gz DCLDKDSDRZATNO-WBVHZDCISA-N 2 1 318.461 2.710 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000358301368 148319905 /nfs/dbraw/zinc/31/99/05/148319905.db2.gz PMFUBKLXFCESSQ-BFYDXBDKSA-N 2 1 318.461 2.709 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)s1 ZINC000358308815 148322998 /nfs/dbraw/zinc/32/29/98/148322998.db2.gz ZMJRASKQQPKNCC-MAZHCROVSA-N 2 1 323.506 2.788 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H](CO)CC(F)(F)F)CC2)C1 ZINC000358353284 148338400 /nfs/dbraw/zinc/33/84/00/148338400.db2.gz JZRFIPCHHBGZOL-SNPRPXQTSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358407080 148349164 /nfs/dbraw/zinc/34/91/64/148349164.db2.gz QZESPTRKSMUWHH-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358407080 148349168 /nfs/dbraw/zinc/34/91/68/148349168.db2.gz QZESPTRKSMUWHH-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358407080 148349172 /nfs/dbraw/zinc/34/91/72/148349172.db2.gz QZESPTRKSMUWHH-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358504185 148380075 /nfs/dbraw/zinc/38/00/75/148380075.db2.gz HPKVSTSSTUIDKK-UHFFFAOYSA-N 2 1 315.461 2.626 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503823 148380517 /nfs/dbraw/zinc/38/05/17/148380517.db2.gz GUMOALKFGUAGBY-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000361003818 149004761 /nfs/dbraw/zinc/00/47/61/149004761.db2.gz GOJNPMZFIZTHNL-UHFFFAOYSA-N 2 1 312.461 2.676 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000660430291 543525603 /nfs/dbraw/zinc/52/56/03/543525603.db2.gz MILHDJFJYFFYMN-HZPDHXFCSA-N 2 1 304.434 2.784 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CCCn2ccnc2)CC1 ZINC000361045715 149016686 /nfs/dbraw/zinc/01/66/86/149016686.db2.gz MEWFTURCVGAMPK-SFHVURJKSA-N 3 1 304.482 2.860 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCc1ccsc1 ZINC000361084882 149025409 /nfs/dbraw/zinc/02/54/09/149025409.db2.gz BVTBYMQHJVOYSS-IXDOHACOSA-N 2 1 308.491 2.864 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2ccsc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361096647 149027433 /nfs/dbraw/zinc/02/74/33/149027433.db2.gz MHNKWSDSZBXPBZ-SJLPKXTDSA-N 2 1 321.534 2.639 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](c1cccnc1)C(C)(C)CO ZINC000660638967 543529166 /nfs/dbraw/zinc/52/91/66/543529166.db2.gz OKVBETQFBSNEKR-KRWDZBQOSA-N 2 1 316.449 2.716 20 0 DFADMP COC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)C(C)C ZINC000361218231 149057045 /nfs/dbraw/zinc/05/70/45/149057045.db2.gz WUVDJMYGIAHHMW-QGZVFWFLSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000361259980 149068926 /nfs/dbraw/zinc/06/89/26/149068926.db2.gz FFFXGPIHMJWJTH-BXUZGUMPSA-N 2 1 318.396 2.602 20 0 DFADMP C[C@@H]1C[C@H](NCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000361345142 149091650 /nfs/dbraw/zinc/09/16/50/149091650.db2.gz YCOYGDSWPOQKAV-IEBWSBKVSA-N 2 1 301.478 2.725 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@@H](C)C1 ZINC000361482889 149127721 /nfs/dbraw/zinc/12/77/21/149127721.db2.gz BOGIFNMWQSUXGW-WMZOPIPTSA-N 2 1 312.498 2.530 20 0 DFADMP c1cn(-c2ccccc2)c(C[NH+]2CCC(c3c[nH]cn3)CC2)n1 ZINC000361561790 149148524 /nfs/dbraw/zinc/14/85/24/149148524.db2.gz GLQOYVVUQWTDKB-UHFFFAOYSA-N 2 1 307.401 2.975 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)COC(C)(C)C ZINC000361667373 149186031 /nfs/dbraw/zinc/18/60/31/149186031.db2.gz OVGVSZLRQABMCN-HZPDHXFCSA-N 2 1 323.481 2.647 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000361719444 149200561 /nfs/dbraw/zinc/20/05/61/149200561.db2.gz SYNLSYIDGTVYJV-KSSFIOAISA-N 2 1 319.424 2.701 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763748 149213422 /nfs/dbraw/zinc/21/34/22/149213422.db2.gz FWUCONMAEXGCKM-XYJFISCASA-N 2 1 317.477 2.657 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763748 149213424 /nfs/dbraw/zinc/21/34/24/149213424.db2.gz FWUCONMAEXGCKM-XYJFISCASA-N 2 1 317.477 2.657 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765721 149213469 /nfs/dbraw/zinc/21/34/69/149213469.db2.gz PYLNDERVCZWBNA-XYJFISCASA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765721 149213470 /nfs/dbraw/zinc/21/34/70/149213470.db2.gz PYLNDERVCZWBNA-XYJFISCASA-N 3 1 319.493 2.760 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000361965638 149266603 /nfs/dbraw/zinc/26/66/03/149266603.db2.gz IAPJOIFUBGIBMV-PIKOESSRSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000361965638 149266606 /nfs/dbraw/zinc/26/66/06/149266606.db2.gz IAPJOIFUBGIBMV-PIKOESSRSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000361965638 149266611 /nfs/dbraw/zinc/26/66/11/149266611.db2.gz IAPJOIFUBGIBMV-PIKOESSRSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361970015 149267235 /nfs/dbraw/zinc/26/72/35/149267235.db2.gz FEASUMZQBDYZOG-VROUVPMXSA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000361970015 149267239 /nfs/dbraw/zinc/26/72/39/149267239.db2.gz FEASUMZQBDYZOG-VROUVPMXSA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000361970015 149267242 /nfs/dbraw/zinc/26/72/42/149267242.db2.gz FEASUMZQBDYZOG-VROUVPMXSA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361970015 149267244 /nfs/dbraw/zinc/26/72/44/149267244.db2.gz FEASUMZQBDYZOG-VROUVPMXSA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361970015 149267245 /nfs/dbraw/zinc/26/72/45/149267245.db2.gz FEASUMZQBDYZOG-VROUVPMXSA-N 2 1 315.505 2.683 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350916127 286099708 /nfs/dbraw/zinc/09/97/08/286099708.db2.gz CMGXMYJCHGIIKA-UHFFFAOYSA-N 2 1 323.868 2.861 20 0 DFADMP C[N@@H+]1CCO[C@@H](CN(CC2CC2)c2cc[nH+]c3ccccc32)C1 ZINC000362678237 149340364 /nfs/dbraw/zinc/34/03/64/149340364.db2.gz AERUYESVUBKVGV-MRXNPFEDSA-N 2 1 311.429 2.782 20 0 DFADMP C[N@H+]1CCO[C@@H](CN(CC2CC2)c2cc[nH+]c3ccccc32)C1 ZINC000362678237 149340368 /nfs/dbraw/zinc/34/03/68/149340368.db2.gz AERUYESVUBKVGV-MRXNPFEDSA-N 2 1 311.429 2.782 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000351273208 286119786 /nfs/dbraw/zinc/11/97/86/286119786.db2.gz VXCWAJLAAMOUHU-UHFFFAOYSA-N 2 1 319.449 2.538 20 0 DFADMP c1csc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000351352200 286123111 /nfs/dbraw/zinc/12/31/11/286123111.db2.gz OYTGOFMHZVHYGR-UHFFFAOYSA-N 2 1 307.507 2.742 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]12 ZINC000351472622 286128924 /nfs/dbraw/zinc/12/89/24/286128924.db2.gz BERNSEDTYUPQIG-PWIZWCRZSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]12 ZINC000351473211 286129006 /nfs/dbraw/zinc/12/90/06/286129006.db2.gz CNWFLZYINKQFOO-CORIIIEPSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]12 ZINC000351473211 286129008 /nfs/dbraw/zinc/12/90/08/286129008.db2.gz CNWFLZYINKQFOO-CORIIIEPSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000351482071 286131560 /nfs/dbraw/zinc/13/15/60/286131560.db2.gz YOLREOCMDOQHMQ-BYCMXARLSA-N 2 1 314.351 2.753 20 0 DFADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000351438874 286126526 /nfs/dbraw/zinc/12/65/26/286126526.db2.gz FWASDPZBNJSORA-WOJBJXKFSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000351438874 286126528 /nfs/dbraw/zinc/12/65/28/286126528.db2.gz FWASDPZBNJSORA-WOJBJXKFSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000351438874 286126531 /nfs/dbraw/zinc/12/65/31/286126531.db2.gz FWASDPZBNJSORA-WOJBJXKFSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000351438874 286126533 /nfs/dbraw/zinc/12/65/33/286126533.db2.gz FWASDPZBNJSORA-WOJBJXKFSA-N 2 1 316.489 2.711 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2ccccc2)CC1)C1CC1 ZINC000351487694 286133300 /nfs/dbraw/zinc/13/33/00/286133300.db2.gz CIKOICBFUWFFEE-MJGOQNOKSA-N 2 1 302.462 2.711 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2ccccc2)CC1)C1CC1 ZINC000351487694 286133303 /nfs/dbraw/zinc/13/33/03/286133303.db2.gz CIKOICBFUWFFEE-MJGOQNOKSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1)C1CC1 ZINC000351487694 286133306 /nfs/dbraw/zinc/13/33/06/286133306.db2.gz CIKOICBFUWFFEE-MJGOQNOKSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1)C1CC1 ZINC000351487694 286133307 /nfs/dbraw/zinc/13/33/07/286133307.db2.gz CIKOICBFUWFFEE-MJGOQNOKSA-N 2 1 302.462 2.711 20 0 DFADMP CC1CCC([N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]2CCCO2)CC1 ZINC000351518421 286141452 /nfs/dbraw/zinc/14/14/52/286141452.db2.gz LYOZQXDRNLIYHR-JDGDGYACSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@H]2CCCO2)CC1 ZINC000351518421 286141453 /nfs/dbraw/zinc/14/14/53/286141453.db2.gz LYOZQXDRNLIYHR-JDGDGYACSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@H]2CCCO2)CC1 ZINC000351518421 286141456 /nfs/dbraw/zinc/14/14/56/286141456.db2.gz LYOZQXDRNLIYHR-JDGDGYACSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@H]2CCCO2)CC1 ZINC000351518421 286141458 /nfs/dbraw/zinc/14/14/58/286141458.db2.gz LYOZQXDRNLIYHR-JDGDGYACSA-N 2 1 324.509 2.501 20 0 DFADMP CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000351544068 286148453 /nfs/dbraw/zinc/14/84/53/286148453.db2.gz UFIYLWBYSFVKDY-PKOBYXMFSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000351544068 286148454 /nfs/dbraw/zinc/14/84/54/286148454.db2.gz UFIYLWBYSFVKDY-PKOBYXMFSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@@H](Cc1ccccc1)[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351544068 286148455 /nfs/dbraw/zinc/14/84/55/286148455.db2.gz UFIYLWBYSFVKDY-PKOBYXMFSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@@H](Cc1ccccc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351544068 286148456 /nfs/dbraw/zinc/14/84/56/286148456.db2.gz UFIYLWBYSFVKDY-PKOBYXMFSA-N 2 1 304.478 2.785 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000371205296 150001750 /nfs/dbraw/zinc/00/17/50/150001750.db2.gz QHXHPCFFQBORCS-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000371205296 150001753 /nfs/dbraw/zinc/00/17/53/150001753.db2.gz QHXHPCFFQBORCS-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000371205296 150001755 /nfs/dbraw/zinc/00/17/55/150001755.db2.gz QHXHPCFFQBORCS-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2C)n1 ZINC000371204912 150002070 /nfs/dbraw/zinc/00/20/70/150002070.db2.gz LHRQTYCOOOMRIV-GOSISDBHSA-N 2 1 315.465 2.950 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCCn2cc[nH+]c2C)n1 ZINC000371204912 150002073 /nfs/dbraw/zinc/00/20/73/150002073.db2.gz LHRQTYCOOOMRIV-GOSISDBHSA-N 2 1 315.465 2.950 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000371204546 150003095 /nfs/dbraw/zinc/00/30/95/150003095.db2.gz IFSJFZKVKJONMK-IAGOWNOFSA-N 2 1 302.466 2.608 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000371204546 150003097 /nfs/dbraw/zinc/00/30/97/150003097.db2.gz IFSJFZKVKJONMK-IAGOWNOFSA-N 2 1 302.466 2.608 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000371204546 150003098 /nfs/dbraw/zinc/00/30/98/150003098.db2.gz IFSJFZKVKJONMK-IAGOWNOFSA-N 2 1 302.466 2.608 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc(F)c(F)c1 ZINC000371293258 150017594 /nfs/dbraw/zinc/01/75/94/150017594.db2.gz GCLIKKYRSYBYHN-JLSDUUJJSA-N 2 1 324.415 2.691 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(F)c(F)c1 ZINC000371293258 150017598 /nfs/dbraw/zinc/01/75/98/150017598.db2.gz GCLIKKYRSYBYHN-JLSDUUJJSA-N 2 1 324.415 2.691 20 0 DFADMP CC(C)(C)n1ncc2c1ncnc2N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000371311570 150020795 /nfs/dbraw/zinc/02/07/95/150020795.db2.gz XMYQKWYFMQFNER-STQMWFEESA-N 2 1 314.437 2.620 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322554 150022934 /nfs/dbraw/zinc/02/29/34/150022934.db2.gz ZTQNLSBTTQSAGD-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322554 150022938 /nfs/dbraw/zinc/02/29/38/150022938.db2.gz ZTQNLSBTTQSAGD-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2c3ccccc3CC[C@@H]2[NH+](C)C)CC[N@H+]1C ZINC000371484242 150054286 /nfs/dbraw/zinc/05/42/86/150054286.db2.gz BKJPALUGXNECEZ-SKWUIDRYSA-N 2 1 301.478 2.676 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@H]2[NH+](C)C)CC[N@H+]1C ZINC000371484241 150054377 /nfs/dbraw/zinc/05/43/77/150054377.db2.gz BKJPALUGXNECEZ-OPNNQBFTSA-N 2 1 301.478 2.676 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(F)cc1)CC2 ZINC000371692121 150081390 /nfs/dbraw/zinc/08/13/90/150081390.db2.gz GNIRNZBLEWIIJL-UHFFFAOYSA-N 2 1 319.424 2.715 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccc(F)cc1)CC2 ZINC000371692121 150081394 /nfs/dbraw/zinc/08/13/94/150081394.db2.gz GNIRNZBLEWIIJL-UHFFFAOYSA-N 2 1 319.424 2.715 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000351580368 286159322 /nfs/dbraw/zinc/15/93/22/286159322.db2.gz LSAMKLAFUFHKDH-IRXDYDNUSA-N 2 1 308.853 2.836 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000351580368 286159323 /nfs/dbraw/zinc/15/93/23/286159323.db2.gz LSAMKLAFUFHKDH-IRXDYDNUSA-N 2 1 308.853 2.836 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877201 150107754 /nfs/dbraw/zinc/10/77/54/150107754.db2.gz TXIXNKKAEKXWEY-WMLDXEAASA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccco1 ZINC000371985229 150120423 /nfs/dbraw/zinc/12/04/23/150120423.db2.gz RLUPBWUFVLQFTG-SJLPKXTDSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccco1 ZINC000371985229 150120426 /nfs/dbraw/zinc/12/04/26/150120426.db2.gz RLUPBWUFVLQFTG-SJLPKXTDSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000372092869 150135675 /nfs/dbraw/zinc/13/56/75/150135675.db2.gz YQSCIHFWYCJFEI-APWZRJJASA-N 2 1 302.462 2.539 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000372092869 150135679 /nfs/dbraw/zinc/13/56/79/150135679.db2.gz YQSCIHFWYCJFEI-APWZRJJASA-N 2 1 302.462 2.539 20 0 DFADMP C[C@H]([NH2+]CCc1cnccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372355315 150166853 /nfs/dbraw/zinc/16/68/53/150166853.db2.gz LOTQDJORXWGBDV-FUHWJXTLSA-N 2 1 310.445 2.519 20 0 DFADMP CCc1ccccc1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372459878 150175739 /nfs/dbraw/zinc/17/57/39/150175739.db2.gz KESUPVNLQCGNSV-FQEVSTJZSA-N 2 1 315.505 2.849 20 0 DFADMP C[N@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372460157 150175981 /nfs/dbraw/zinc/17/59/81/150175981.db2.gz MZPLPHSCQAUJPG-GOSISDBHSA-N 2 1 323.431 2.565 20 0 DFADMP C[N@@H+](Cc1cc(F)cc(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372460157 150175984 /nfs/dbraw/zinc/17/59/84/150175984.db2.gz MZPLPHSCQAUJPG-GOSISDBHSA-N 2 1 323.431 2.565 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000372781915 150184227 /nfs/dbraw/zinc/18/42/27/150184227.db2.gz PMFCNRKJFFFFID-AOIWGVFYSA-N 2 1 301.478 2.894 20 0 DFADMP CCCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000351604719 286166840 /nfs/dbraw/zinc/16/68/40/286166840.db2.gz VLUOREBBDYUZLZ-KRWDZBQOSA-N 2 1 317.477 2.672 20 0 DFADMP CCCCCNC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351615449 286170658 /nfs/dbraw/zinc/17/06/58/286170658.db2.gz MWQAKMQULQFNGY-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000373965051 150284837 /nfs/dbraw/zinc/28/48/37/150284837.db2.gz LSQMAARLUUUSCP-OAHLLOKOSA-N 2 1 319.449 2.856 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000373965051 150284840 /nfs/dbraw/zinc/28/48/40/150284840.db2.gz LSQMAARLUUUSCP-OAHLLOKOSA-N 2 1 319.449 2.856 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374174278 150316701 /nfs/dbraw/zinc/31/67/01/150316701.db2.gz PEVCKPGVKUYTKJ-CYBMUJFWSA-N 2 1 304.438 2.816 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374174278 150316704 /nfs/dbraw/zinc/31/67/04/150316704.db2.gz PEVCKPGVKUYTKJ-CYBMUJFWSA-N 2 1 304.438 2.816 20 0 DFADMP C[C@@H]1[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@@H]1c1ccccc1 ZINC000374232556 150326999 /nfs/dbraw/zinc/32/69/99/150326999.db2.gz VXNKVGJPZMWPNY-YTQUADARSA-N 2 1 315.505 2.794 20 0 DFADMP Cc1nc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)oc1C ZINC000374295847 150339793 /nfs/dbraw/zinc/33/97/93/150339793.db2.gz NLBRVORTKORAIR-OAHLLOKOSA-N 2 1 303.450 2.988 20 0 DFADMP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351641083 286178786 /nfs/dbraw/zinc/17/87/86/286178786.db2.gz YPCSEVJEQPYZMX-WMZOPIPTSA-N 2 1 323.525 2.734 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2conc2C)CC1 ZINC000351684027 286192457 /nfs/dbraw/zinc/19/24/57/286192457.db2.gz DHAKQYPFVANPJY-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC(OCC)C2)[C@H](C)C1 ZINC000351821219 286226336 /nfs/dbraw/zinc/22/63/36/286226336.db2.gz GYZZHLDDPUOLLH-AQEOSJORSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000351853590 286233022 /nfs/dbraw/zinc/23/30/22/286233022.db2.gz PGNZRHCQADAXKL-GJZGRUSLSA-N 2 1 310.445 2.530 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000351853590 286233023 /nfs/dbraw/zinc/23/30/23/286233023.db2.gz PGNZRHCQADAXKL-GJZGRUSLSA-N 2 1 310.445 2.530 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000351886384 286237464 /nfs/dbraw/zinc/23/74/64/286237464.db2.gz JMTNQCWCLDRHRE-DLBZAZTESA-N 2 1 311.514 2.878 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000352051814 286280390 /nfs/dbraw/zinc/28/03/90/286280390.db2.gz FNZRZHUYSGICKJ-NJAFHUGGSA-N 2 1 321.509 2.628 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115203 286296030 /nfs/dbraw/zinc/29/60/30/286296030.db2.gz IUSSCSNDADTMKC-UXHICEINSA-N 2 1 316.489 2.885 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115203 286296031 /nfs/dbraw/zinc/29/60/31/286296031.db2.gz IUSSCSNDADTMKC-UXHICEINSA-N 2 1 316.489 2.885 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115203 286296032 /nfs/dbraw/zinc/29/60/32/286296032.db2.gz IUSSCSNDADTMKC-UXHICEINSA-N 2 1 316.489 2.885 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115203 286296033 /nfs/dbraw/zinc/29/60/33/286296033.db2.gz IUSSCSNDADTMKC-UXHICEINSA-N 2 1 316.489 2.885 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC000373789938 286301400 /nfs/dbraw/zinc/30/14/00/286301400.db2.gz YQUNOEPCGOSUNB-USXIJHARSA-N 2 1 318.461 2.938 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352156324 286307351 /nfs/dbraw/zinc/30/73/51/286307351.db2.gz IYQNENCSXFIAQP-IXDOHACOSA-N 2 1 311.514 2.637 20 0 DFADMP CN(Cc1cccs1)C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352504301 286391287 /nfs/dbraw/zinc/39/12/87/286391287.db2.gz OXQXVEKLOQVSPG-UHFFFAOYSA-N 2 1 323.506 2.548 20 0 DFADMP CCN(C(=O)C[N@H+](CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000352519021 286395964 /nfs/dbraw/zinc/39/59/64/286395964.db2.gz LDEUKKGOZWBVAA-UHFFFAOYSA-N 2 1 317.477 2.881 20 0 DFADMP CCN(C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000352519021 286395966 /nfs/dbraw/zinc/39/59/66/286395966.db2.gz LDEUKKGOZWBVAA-UHFFFAOYSA-N 2 1 317.477 2.881 20 0 DFADMP CCOCc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC ZINC000352526038 286398287 /nfs/dbraw/zinc/39/82/87/286398287.db2.gz JPEZRZMHIYLXCX-QGZVFWFLSA-N 2 1 306.450 2.935 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccncc2)s1 ZINC000352526398 286398410 /nfs/dbraw/zinc/39/84/10/286398410.db2.gz NEFKHQOVKIUAEN-AWEZNQCLSA-N 2 1 302.447 2.908 20 0 DFADMP CC(C)C[C@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352733066 286453602 /nfs/dbraw/zinc/45/36/02/286453602.db2.gz QMSIJCPZXCHLAM-KBPBESRZSA-N 2 1 311.495 2.888 20 0 DFADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCC(F)(F)CC1 ZINC000353287438 286602170 /nfs/dbraw/zinc/60/21/70/286602170.db2.gz FNZNCVBFHAEHQG-ZDUSSCGKSA-N 2 1 304.425 2.901 20 0 DFADMP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)CCCCC1 ZINC000184239515 158030580 /nfs/dbraw/zinc/03/05/80/158030580.db2.gz JTDPNFVURPJNSZ-QGZVFWFLSA-N 2 1 321.509 2.666 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245805744 158080643 /nfs/dbraw/zinc/08/06/43/158080643.db2.gz YMBXGVQHSQSWHW-WMLDXEAASA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245805744 158080645 /nfs/dbraw/zinc/08/06/45/158080645.db2.gz YMBXGVQHSQSWHW-WMLDXEAASA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245805744 158080648 /nfs/dbraw/zinc/08/06/48/158080648.db2.gz YMBXGVQHSQSWHW-WMLDXEAASA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245805744 158080651 /nfs/dbraw/zinc/08/06/51/158080651.db2.gz YMBXGVQHSQSWHW-WMLDXEAASA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246801391 158098778 /nfs/dbraw/zinc/09/87/78/158098778.db2.gz ABXBKXZKZANJHK-IAGOWNOFSA-N 3 1 319.493 2.619 20 0 DFADMP CC[N@@H+]1CC[C@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246801391 158098780 /nfs/dbraw/zinc/09/87/80/158098780.db2.gz ABXBKXZKZANJHK-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246801391 158098782 /nfs/dbraw/zinc/09/87/82/158098782.db2.gz ABXBKXZKZANJHK-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@](O)(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000246869639 158103166 /nfs/dbraw/zinc/10/31/66/158103166.db2.gz AJDVLMPWAIUREP-RTBURBONSA-N 2 1 302.462 2.844 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC000246884480 158104709 /nfs/dbraw/zinc/10/47/09/158104709.db2.gz DTEPEXDNXIFHLJ-WBVHZDCISA-N 2 1 320.481 2.549 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC000246884480 158104712 /nfs/dbraw/zinc/10/47/12/158104712.db2.gz DTEPEXDNXIFHLJ-WBVHZDCISA-N 2 1 320.481 2.549 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246885036 158104724 /nfs/dbraw/zinc/10/47/24/158104724.db2.gz DHEFZULVKBHMQS-JJRVBVJISA-N 2 1 306.450 2.565 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000246917210 158105704 /nfs/dbraw/zinc/10/57/04/158105704.db2.gz GDBNEYIVUFOLKX-QBPKDAKJSA-N 2 1 307.482 2.981 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246939769 158107444 /nfs/dbraw/zinc/10/74/44/158107444.db2.gz GUVLYRJWRXDJIL-DAYGRLMNSA-N 2 1 306.450 2.782 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000246969189 158109696 /nfs/dbraw/zinc/10/96/96/158109696.db2.gz JIPLQTHWIHISBU-BQFCYCMXSA-N 2 1 301.478 2.758 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000247037569 158115450 /nfs/dbraw/zinc/11/54/50/158115450.db2.gz LPHKUJVRBUQDGI-PMPSAXMXSA-N 2 1 306.450 2.782 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000247124347 158119599 /nfs/dbraw/zinc/11/95/99/158119599.db2.gz PXNDSVJQSVFXCS-HGTKMLMNSA-N 2 1 322.884 2.632 20 0 DFADMP CCN(C(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000247991346 158156599 /nfs/dbraw/zinc/15/65/99/158156599.db2.gz JLDUILXEPLZZJI-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000247991346 158156600 /nfs/dbraw/zinc/15/66/00/158156600.db2.gz JLDUILXEPLZZJI-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000247991346 158156601 /nfs/dbraw/zinc/15/66/01/158156601.db2.gz JLDUILXEPLZZJI-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000247991346 158156603 /nfs/dbraw/zinc/15/66/03/158156603.db2.gz JLDUILXEPLZZJI-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000247991346 158156604 /nfs/dbraw/zinc/15/66/04/158156604.db2.gz JLDUILXEPLZZJI-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248035595 158158565 /nfs/dbraw/zinc/15/85/65/158158565.db2.gz RLFXKAIIVBLICJ-WMZOPIPTSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248035595 158158570 /nfs/dbraw/zinc/15/85/70/158158570.db2.gz RLFXKAIIVBLICJ-WMZOPIPTSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248035595 158158571 /nfs/dbraw/zinc/15/85/71/158158571.db2.gz RLFXKAIIVBLICJ-WMZOPIPTSA-N 2 1 315.461 2.740 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248396486 158172580 /nfs/dbraw/zinc/17/25/80/158172580.db2.gz HCZLPAZYDSNBDM-UFYCRDLUSA-N 2 1 324.472 2.773 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248414054 158173279 /nfs/dbraw/zinc/17/32/79/158173279.db2.gz MBEMJSNVAZOCAI-UAFMIMERSA-N 2 1 316.489 2.894 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248583125 158186326 /nfs/dbraw/zinc/18/63/26/158186326.db2.gz WOBKMHWOVIVDIS-USYVTKNRSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248643256 158193088 /nfs/dbraw/zinc/19/30/88/158193088.db2.gz PHJNUMVRIASZEV-MFWIUYSUSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248643256 158193091 /nfs/dbraw/zinc/19/30/91/158193091.db2.gz PHJNUMVRIASZEV-MFWIUYSUSA-N 2 1 301.478 2.893 20 0 DFADMP OCCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248751051 158200322 /nfs/dbraw/zinc/20/03/22/158200322.db2.gz OMBFXQFRLQQCBP-GBESFXJTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355027985 158256391 /nfs/dbraw/zinc/25/63/91/158256391.db2.gz FLYCAQNKZOBOTQ-SJORKVTESA-N 2 1 301.478 2.848 20 0 DFADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355060021 158263326 /nfs/dbraw/zinc/26/33/26/158263326.db2.gz UMWZWVUTPWMRIL-CGTJXYLNSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H](C1CCC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355067704 158266747 /nfs/dbraw/zinc/26/67/47/158266747.db2.gz YBHHTWDDCLYDAF-YJBOKZPZSA-N 2 1 317.477 2.526 20 0 DFADMP Cn1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000355072857 158267355 /nfs/dbraw/zinc/26/73/55/158267355.db2.gz YBGWVOTYQJIRKR-IHWFROFDSA-N 2 1 324.472 2.748 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355208330 158298778 /nfs/dbraw/zinc/29/87/78/158298778.db2.gz HEXIHYZZYXZQDM-KBAYOESNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355208330 158298781 /nfs/dbraw/zinc/29/87/81/158298781.db2.gz HEXIHYZZYXZQDM-KBAYOESNSA-N 2 1 306.425 2.818 20 0 DFADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CCO1 ZINC000357001440 158343946 /nfs/dbraw/zinc/34/39/46/158343946.db2.gz XSAUMFKGRRMBFA-KURKYZTESA-N 2 1 312.498 2.624 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC(C)C ZINC000357038967 158353867 /nfs/dbraw/zinc/35/38/67/158353867.db2.gz ANLOTPZDLAPVQQ-IAGOWNOFSA-N 2 1 318.461 2.771 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC(C)C ZINC000357038967 158353868 /nfs/dbraw/zinc/35/38/68/158353868.db2.gz ANLOTPZDLAPVQQ-IAGOWNOFSA-N 2 1 318.461 2.771 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357039872 158354798 /nfs/dbraw/zinc/35/47/98/158354798.db2.gz BAHLFVTXPHUSQH-KGLIPLIRSA-N 2 1 314.351 2.669 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357039872 158354800 /nfs/dbraw/zinc/35/48/00/158354800.db2.gz BAHLFVTXPHUSQH-KGLIPLIRSA-N 2 1 314.351 2.669 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000357063085 158359062 /nfs/dbraw/zinc/35/90/62/158359062.db2.gz XQLXFUKYWSBGOW-KRWDZBQOSA-N 2 1 309.498 2.633 20 0 DFADMP CCCCc1noc([C@@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357086038 158362365 /nfs/dbraw/zinc/36/23/65/158362365.db2.gz RFTVUQPWKJAGRC-UKRRQHHQSA-N 2 1 306.454 2.795 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCn2ccnc2)CC1)CC1CC1 ZINC000357088296 158363327 /nfs/dbraw/zinc/36/33/27/158363327.db2.gz RHRAPNPRXCAJFL-UHFFFAOYSA-N 2 1 304.482 2.717 20 0 DFADMP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccccn1 ZINC000358287047 158368083 /nfs/dbraw/zinc/36/80/83/158368083.db2.gz IGSJEJLEJKFGTE-OTWHNJEPSA-N 2 1 317.477 2.890 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358367580 158371701 /nfs/dbraw/zinc/37/17/01/158371701.db2.gz MRFIWIQJUJYEBP-WMLDXEAASA-N 2 1 306.450 2.566 20 0 DFADMP c1cc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cs2)co1 ZINC000358498540 158382343 /nfs/dbraw/zinc/38/23/43/158382343.db2.gz CRYWIQOOKOFDQV-UHFFFAOYSA-N 2 1 303.431 2.979 20 0 DFADMP CC1(C)CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000358728963 158406105 /nfs/dbraw/zinc/40/61/05/158406105.db2.gz XCFGNCRLUZHTLL-IEBWSBKVSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000358728963 158406108 /nfs/dbraw/zinc/40/61/08/158406108.db2.gz XCFGNCRLUZHTLL-IEBWSBKVSA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@@H](F)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000440777282 297164518 /nfs/dbraw/zinc/16/45/18/297164518.db2.gz UHVKKNKWCTUAQN-HLLBOEOZSA-N 2 1 300.462 2.946 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000430562154 296795406 /nfs/dbraw/zinc/79/54/06/296795406.db2.gz CPXCFAQYEVGCIC-UHFFFAOYSA-N 2 1 323.506 2.933 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000430950868 296814719 /nfs/dbraw/zinc/81/47/19/296814719.db2.gz JJGNAUUNHJNNRP-KBPBESRZSA-N 2 1 314.433 2.781 20 0 DFADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC000271630524 209075878 /nfs/dbraw/zinc/07/58/78/209075878.db2.gz BJWFTMNIODQMBS-DZGCQCFKSA-N 2 1 322.449 2.847 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)C[N@@H+](CC)C2CC2)c1 ZINC000130907236 196122311 /nfs/dbraw/zinc/12/23/11/196122311.db2.gz PVPQKMOHUCZGNG-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423446 196168200 /nfs/dbraw/zinc/16/82/00/196168200.db2.gz YSOWXJAAVPVKEH-VYDXJSESSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423446 196168202 /nfs/dbraw/zinc/16/82/02/196168202.db2.gz YSOWXJAAVPVKEH-VYDXJSESSA-N 2 1 302.466 2.500 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000132075607 196224161 /nfs/dbraw/zinc/22/41/61/196224161.db2.gz UNTDUPSBCUFTJA-OAHLLOKOSA-N 2 1 313.449 2.613 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000132796630 196285487 /nfs/dbraw/zinc/28/54/87/196285487.db2.gz FHNBUZSPLKENFS-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000132796630 196285490 /nfs/dbraw/zinc/28/54/90/196285490.db2.gz FHNBUZSPLKENFS-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000132796630 196285492 /nfs/dbraw/zinc/28/54/92/196285492.db2.gz FHNBUZSPLKENFS-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132796630 196285493 /nfs/dbraw/zinc/28/54/93/196285493.db2.gz FHNBUZSPLKENFS-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132796630 196285495 /nfs/dbraw/zinc/28/54/95/196285495.db2.gz FHNBUZSPLKENFS-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP COc1ccccc1N1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000133261550 196325346 /nfs/dbraw/zinc/32/53/46/196325346.db2.gz RDXPZZADBCRWDS-IKGGRYGDSA-N 2 1 317.477 2.594 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000134528006 196399064 /nfs/dbraw/zinc/39/90/64/196399064.db2.gz OXSHTFZFDFJZTA-UHFFFAOYSA-N 2 1 312.255 2.618 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633103 287282808 /nfs/dbraw/zinc/28/28/08/287282808.db2.gz UVFHYBGRLHPFGT-LMMKCTJWSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(Cc2cnc3n2CCC3)C1 ZINC000667534385 543624516 /nfs/dbraw/zinc/62/45/16/543624516.db2.gz WEDVIUIBPGXCIJ-OWCLPIDISA-N 2 1 302.466 2.667 20 0 DFADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1Cc2ccccc2C1 ZINC000667547786 543628185 /nfs/dbraw/zinc/62/81/85/543628185.db2.gz YBHOSWBSZBHLEA-UHFFFAOYSA-N 2 1 304.397 2.867 20 0 DFADMP CN1CCN(Cc2ccnn2-c2ccncc2)Cc2ccccc21 ZINC000667594662 543638080 /nfs/dbraw/zinc/63/80/80/543638080.db2.gz KLDOMKSWUHCFTN-UHFFFAOYSA-N 2 1 319.412 2.719 20 0 DFADMP C[N@H+](Cc1ccc(O[C@H]2CCOC2)cc1)CC1CC[NH+](C)CC1 ZINC000667597407 543638676 /nfs/dbraw/zinc/63/86/76/543638676.db2.gz LWVBMHGRESBIGD-IBGZPJMESA-N 2 1 318.461 2.628 20 0 DFADMP CCOc1ccc(CN2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC000667637040 543646726 /nfs/dbraw/zinc/64/67/26/543646726.db2.gz FYEXWKQJEOKHTD-UHFFFAOYSA-N 2 1 320.477 2.672 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667708600 543664332 /nfs/dbraw/zinc/66/43/32/543664332.db2.gz HLROZADKRRTDDK-CVEARBPZSA-N 2 1 312.417 2.516 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667708600 543664334 /nfs/dbraw/zinc/66/43/34/543664334.db2.gz HLROZADKRRTDDK-CVEARBPZSA-N 2 1 312.417 2.516 20 0 DFADMP COCc1csc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000668016027 543724294 /nfs/dbraw/zinc/72/42/94/543724294.db2.gz QYEZLGZFVOEPEU-CYBMUJFWSA-N 2 1 305.447 2.785 20 0 DFADMP COCc1csc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000668016027 543724298 /nfs/dbraw/zinc/72/42/98/543724298.db2.gz QYEZLGZFVOEPEU-CYBMUJFWSA-N 2 1 305.447 2.785 20 0 DFADMP C[N@H+](Cc1ccc(F)c(F)c1F)C[C@@H]1CCn2ccnc2C1 ZINC000668170080 543757922 /nfs/dbraw/zinc/75/79/22/543757922.db2.gz CFQHCTBNUCTJBV-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP Cc1ccc2cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)[nH]c2c1 ZINC000668176203 543760086 /nfs/dbraw/zinc/76/00/86/543760086.db2.gz NATHXVIHRXAGMA-UHFFFAOYSA-N 2 1 316.493 2.792 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@]3(CCSC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668226427 543772619 /nfs/dbraw/zinc/77/26/19/543772619.db2.gz LWHAYJBWJJUUDG-KRWDZBQOSA-N 2 1 314.458 2.986 20 0 DFADMP c1cc(C[N@H+]2CCC[C@]3(CCSC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668226427 543772623 /nfs/dbraw/zinc/77/26/23/543772623.db2.gz LWHAYJBWJJUUDG-KRWDZBQOSA-N 2 1 314.458 2.986 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2ccccc2OCc2ccncc2)C1 ZINC000668538245 543821168 /nfs/dbraw/zinc/82/11/68/543821168.db2.gz XOLPXSYPKWMGPM-UHFFFAOYSA-N 2 1 311.429 2.654 20 0 DFADMP CN(Cc1ccccc1OCc1ccncc1)CC1C[NH+](C)C1 ZINC000668538245 543821172 /nfs/dbraw/zinc/82/11/72/543821172.db2.gz XOLPXSYPKWMGPM-UHFFFAOYSA-N 2 1 311.429 2.654 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2ccccc2OCC(F)(F)F)C1 ZINC000668539849 543821293 /nfs/dbraw/zinc/82/12/93/543821293.db2.gz OBIAMRPNVNXDOK-UHFFFAOYSA-N 2 1 302.340 2.621 20 0 DFADMP CN(Cc1ccccc1OCC(F)(F)F)CC1C[NH+](C)C1 ZINC000668539849 543821297 /nfs/dbraw/zinc/82/12/97/543821297.db2.gz OBIAMRPNVNXDOK-UHFFFAOYSA-N 2 1 302.340 2.621 20 0 DFADMP C[C@H](O)C1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000668700323 543848346 /nfs/dbraw/zinc/84/83/46/543848346.db2.gz SXXVBDWHZMUBOY-MIGBEJBISA-N 2 1 300.446 2.685 20 0 DFADMP Cc1oc2ccccc2c1C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000668739417 543858174 /nfs/dbraw/zinc/85/81/74/543858174.db2.gz LXLPXERWSPLLDN-MRXNPFEDSA-N 2 1 314.429 2.772 20 0 DFADMP Cc1oc2ccccc2c1C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668739417 543858175 /nfs/dbraw/zinc/85/81/75/543858175.db2.gz LXLPXERWSPLLDN-MRXNPFEDSA-N 2 1 314.429 2.772 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3occc3c2)CCO1 ZINC000668785374 543867504 /nfs/dbraw/zinc/86/75/04/543867504.db2.gz PEAPJNZTUAOCKR-KRWDZBQOSA-N 2 1 302.418 2.975 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3occc3c2)CCO1 ZINC000668785374 543867506 /nfs/dbraw/zinc/86/75/06/543867506.db2.gz PEAPJNZTUAOCKR-KRWDZBQOSA-N 2 1 302.418 2.975 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000296587715 226024613 /nfs/dbraw/zinc/02/46/13/226024613.db2.gz UUJWOIMNUPRBFO-IVDHNXQLSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633590 226069568 /nfs/dbraw/zinc/06/95/68/226069568.db2.gz XOOHZTSLWBLWQZ-NQYYFHDYSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633590 226069571 /nfs/dbraw/zinc/06/95/71/226069571.db2.gz XOOHZTSLWBLWQZ-NQYYFHDYSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@@H](Cc1cccs1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618857 543976153 /nfs/dbraw/zinc/97/61/53/543976153.db2.gz MWQPZUBIIKWXQW-HNNXBMFYSA-N 2 1 309.523 2.685 20 0 DFADMP Cc1cc(NC(=O)N2CCC([NH2+]C(C)C)CC2)cn2cc[nH+]c12 ZINC000296718523 226158302 /nfs/dbraw/zinc/15/83/02/226158302.db2.gz BKQKFCKHQFNIRO-UHFFFAOYSA-N 2 1 315.421 2.637 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCC34CCC4)C2)nc(C)[nH+]1 ZINC000669702197 543986249 /nfs/dbraw/zinc/98/62/49/543986249.db2.gz CCNXETDYBNPFIQ-CVEARBPZSA-N 2 1 300.450 2.985 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2oc(C)nc2C)CC1 ZINC000670991460 544054358 /nfs/dbraw/zinc/05/43/58/544054358.db2.gz XNPFIQZHALSGKT-UHFFFAOYSA-N 2 1 323.481 2.862 20 0 DFADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000673156179 544170834 /nfs/dbraw/zinc/17/08/34/544170834.db2.gz RDTZYOUKQVMHLQ-JQHSSLGASA-N 2 1 317.477 2.587 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000291133516 222162933 /nfs/dbraw/zinc/16/29/33/222162933.db2.gz HAUWVMBMBIXFBG-YFHUEUNASA-N 2 1 319.468 2.970 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000291221037 222235449 /nfs/dbraw/zinc/23/54/49/222235449.db2.gz NJWJXNJCLUTSOL-OAGGEKHMSA-N 2 1 305.441 2.724 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC)C[C@@H]2C)cc1 ZINC000674824597 544264012 /nfs/dbraw/zinc/26/40/12/544264012.db2.gz AJSWOOQQHZPZGY-YJBOKZPZSA-N 2 1 317.477 2.598 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)nc1 ZINC000674866578 544272015 /nfs/dbraw/zinc/27/20/15/544272015.db2.gz ADOBLVDCWJLAMD-INIZCTEOSA-N 2 1 300.406 2.650 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)nc1 ZINC000674866578 544272017 /nfs/dbraw/zinc/27/20/17/544272017.db2.gz ADOBLVDCWJLAMD-INIZCTEOSA-N 2 1 300.406 2.650 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675882573 544341178 /nfs/dbraw/zinc/34/11/78/544341178.db2.gz SAWOGESHMMNKDT-DNVCBOLYSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681394921 545637467 /nfs/dbraw/zinc/63/74/67/545637467.db2.gz XIQBLJNWJPGUTO-ZYSHUDEJSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](C2CC2)C1 ZINC000677040267 544424935 /nfs/dbraw/zinc/42/49/35/544424935.db2.gz GFUCVXUXROYUJO-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](C2CC2)C1 ZINC000677040267 544424938 /nfs/dbraw/zinc/42/49/38/544424938.db2.gz GFUCVXUXROYUJO-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677040267 544424941 /nfs/dbraw/zinc/42/49/41/544424941.db2.gz GFUCVXUXROYUJO-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000677040267 544424942 /nfs/dbraw/zinc/42/49/42/544424942.db2.gz GFUCVXUXROYUJO-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1OC(F)F ZINC000442923926 297211235 /nfs/dbraw/zinc/21/12/35/297211235.db2.gz RIKZMOKLPRNZNC-LBPRGKRZSA-N 2 1 314.376 2.857 20 0 DFADMP CC[N@H+]1CC[C@@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749343 544536197 /nfs/dbraw/zinc/53/61/97/544536197.db2.gz YKFKUZWDBGPYMZ-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749343 544536204 /nfs/dbraw/zinc/53/62/04/544536204.db2.gz YKFKUZWDBGPYMZ-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749343 544536208 /nfs/dbraw/zinc/53/62/08/544536208.db2.gz YKFKUZWDBGPYMZ-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749343 544536212 /nfs/dbraw/zinc/53/62/12/544536212.db2.gz YKFKUZWDBGPYMZ-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749343 544536214 /nfs/dbraw/zinc/53/62/14/544536214.db2.gz YKFKUZWDBGPYMZ-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[N@H+](CCN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749510 544536605 /nfs/dbraw/zinc/53/66/05/544536605.db2.gz KFBXRZGFQMLKNA-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749510 544536610 /nfs/dbraw/zinc/53/66/10/544536610.db2.gz KFBXRZGFQMLKNA-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749510 544536613 /nfs/dbraw/zinc/53/66/13/544536613.db2.gz KFBXRZGFQMLKNA-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749510 544536614 /nfs/dbraw/zinc/53/66/14/544536614.db2.gz KFBXRZGFQMLKNA-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+](CCOC)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678133798 544607139 /nfs/dbraw/zinc/60/71/39/544607139.db2.gz DHZGKQXDOKGRFW-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000678259079 544634599 /nfs/dbraw/zinc/63/45/99/544634599.db2.gz YPYTUFNPRRRALY-AABGKKOBSA-N 2 1 313.489 2.502 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259010 544635146 /nfs/dbraw/zinc/63/51/46/544635146.db2.gz VRCNWWVKPMDVIC-MSOLQXFVSA-N 2 1 307.526 2.915 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000678214967 544621491 /nfs/dbraw/zinc/62/14/91/544621491.db2.gz ZPZGHVLEMIALHY-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000678214967 544621494 /nfs/dbraw/zinc/62/14/94/544621494.db2.gz ZPZGHVLEMIALHY-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP c1n[nH]cc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000678295344 544645857 /nfs/dbraw/zinc/64/58/57/544645857.db2.gz TXOXIONMZIOZCU-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP c1ccc(COc2ccccc2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000678343407 544655791 /nfs/dbraw/zinc/65/57/91/544655791.db2.gz TXLOQTICJHEEGO-RTBURBONSA-N 2 1 308.425 2.917 20 0 DFADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000678343574 544655873 /nfs/dbraw/zinc/65/58/73/544655873.db2.gz UQINCVZNUNRIAC-HOTGVXAUSA-N 2 1 324.472 2.821 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCOC1 ZINC000678465397 544678729 /nfs/dbraw/zinc/67/87/29/544678729.db2.gz RKRZUMJLUNTYJS-SFHVURJKSA-N 2 1 303.450 2.799 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000678272214 544640208 /nfs/dbraw/zinc/64/02/08/544640208.db2.gz CODNHEQWKWHXOY-IAGOWNOFSA-N 2 1 319.493 2.542 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2nn(C)c3ccccc23)C[C@@H]1C ZINC000678276582 544640701 /nfs/dbraw/zinc/64/07/01/544640701.db2.gz JSTGGTLUUXCGNQ-GJZGRUSLSA-N 2 1 300.450 2.878 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](OC)C2)[C@H](C)C1 ZINC000678603060 544699983 /nfs/dbraw/zinc/69/99/83/544699983.db2.gz IUGGCZFXYLAOHA-TVFCKZIOSA-N 2 1 312.498 2.671 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H]1OC ZINC000678928924 544751284 /nfs/dbraw/zinc/75/12/84/544751284.db2.gz ZWCKLZNAHMMWPD-RCCFBDPRSA-N 2 1 324.509 2.813 20 0 DFADMP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000678999382 544766599 /nfs/dbraw/zinc/76/65/99/544766599.db2.gz AONBIORCUATUGP-SJORKVTESA-N 2 1 316.493 2.641 20 0 DFADMP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000678999379 544766645 /nfs/dbraw/zinc/76/66/45/544766645.db2.gz AONBIORCUATUGP-DLBZAZTESA-N 2 1 316.493 2.641 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1 ZINC000679025747 544769705 /nfs/dbraw/zinc/76/97/05/544769705.db2.gz UQCCCVLXDPEQEP-GOSISDBHSA-N 2 1 322.456 2.685 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000679022447 544770093 /nfs/dbraw/zinc/77/00/93/544770093.db2.gz MVTKRBWESHRQPT-JKSUJKDBSA-N 2 1 314.477 2.919 20 0 DFADMP COC[C@@H](CC(C)C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000679031818 544772119 /nfs/dbraw/zinc/77/21/19/544772119.db2.gz IYFPAQJGBWAZHL-DLBZAZTESA-N 2 1 320.481 2.713 20 0 DFADMP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000679037928 544772855 /nfs/dbraw/zinc/77/28/55/544772855.db2.gz YVCQZGXDYWZIKE-OALUTQOASA-N 2 1 302.462 2.677 20 0 DFADMP O[C@@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000299652343 229301774 /nfs/dbraw/zinc/30/17/74/229301774.db2.gz SWOVRGOLCLKJBY-IBGZPJMESA-N 2 1 302.462 2.540 20 0 DFADMP C[C@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000299684759 229331522 /nfs/dbraw/zinc/33/15/22/229331522.db2.gz SFQIFRWKFZKPBV-CTASWTNQSA-N 2 1 323.506 2.728 20 0 DFADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC000443101706 297215899 /nfs/dbraw/zinc/21/58/99/297215899.db2.gz MRIARSIMKVSSFR-GOEBONIOSA-N 2 1 323.506 2.766 20 0 DFADMP CC[N@H+]1CC[C@@H](NCc2ccc(C)nc2N2CCCC2)[C@@H](C)C1 ZINC000679723043 544905423 /nfs/dbraw/zinc/90/54/23/544905423.db2.gz HQNHVOXXLIJUGQ-MAUKXSAKSA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2N2CCCC2)[C@@H](C)C1 ZINC000679723043 544905428 /nfs/dbraw/zinc/90/54/28/544905428.db2.gz HQNHVOXXLIJUGQ-MAUKXSAKSA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2N2CCCC2)[C@@H](C)C1 ZINC000679723043 544905431 /nfs/dbraw/zinc/90/54/31/544905431.db2.gz HQNHVOXXLIJUGQ-MAUKXSAKSA-N 2 1 316.493 2.810 20 0 DFADMP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000679722210 544905617 /nfs/dbraw/zinc/90/56/17/544905617.db2.gz ZBWIKNPQLNXLKG-GBESFXJTSA-N 2 1 314.473 2.649 20 0 DFADMP CO[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679953312 544932813 /nfs/dbraw/zinc/93/28/13/544932813.db2.gz ICLZLBCFOLQHQY-GRFNRIFCSA-N 2 1 310.482 2.544 20 0 DFADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000302151287 230126222 /nfs/dbraw/zinc/12/62/22/230126222.db2.gz LSJNXWSIPDTJKK-GOEBONIOSA-N 2 1 324.428 2.646 20 0 DFADMP C[C@H]1C[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000302151287 230126224 /nfs/dbraw/zinc/12/62/24/230126224.db2.gz LSJNXWSIPDTJKK-GOEBONIOSA-N 2 1 324.428 2.646 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112336 544960280 /nfs/dbraw/zinc/96/02/80/544960280.db2.gz VHGVXPKKDZXMIA-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112336 544960282 /nfs/dbraw/zinc/96/02/82/544960282.db2.gz VHGVXPKKDZXMIA-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112336 544960286 /nfs/dbraw/zinc/96/02/86/544960286.db2.gz VHGVXPKKDZXMIA-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112336 544960288 /nfs/dbraw/zinc/96/02/88/544960288.db2.gz VHGVXPKKDZXMIA-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@@H+](CCN1CC[NH+]([C@@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000066534402 425904764 /nfs/dbraw/zinc/90/47/64/425904764.db2.gz HAJKQNZYVOICBF-HXUWFJFHSA-N 2 1 313.489 2.845 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000124506780 425922823 /nfs/dbraw/zinc/92/28/23/425922823.db2.gz FZLPWGBALSGCAU-FQEVSTJZSA-N 2 1 315.505 2.927 20 0 DFADMP CCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124614565 425928352 /nfs/dbraw/zinc/92/83/52/425928352.db2.gz UEHGMPGRGJIOEY-IAGOWNOFSA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000037484290 425848423 /nfs/dbraw/zinc/84/84/23/425848423.db2.gz XDNYKDQSJHCEHO-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)c1ccccc1 ZINC000191492388 268001752 /nfs/dbraw/zinc/00/17/52/268001752.db2.gz OXMBJICNRBJALF-QGZVFWFLSA-N 2 1 301.434 2.891 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)c1ccccc1 ZINC000191492388 268001754 /nfs/dbraw/zinc/00/17/54/268001754.db2.gz OXMBJICNRBJALF-QGZVFWFLSA-N 2 1 301.434 2.891 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000192925286 268054202 /nfs/dbraw/zinc/05/42/02/268054202.db2.gz KWSZGIPEJCTDKS-AWEZNQCLSA-N 2 1 317.433 2.544 20 0 DFADMP CCN(CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000223170280 268141770 /nfs/dbraw/zinc/14/17/70/268141770.db2.gz PESMTACBVNMYJK-GJZGRUSLSA-N 2 1 313.486 2.706 20 0 DFADMP COCC[C@@](C)(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000266946973 268178545 /nfs/dbraw/zinc/17/85/45/268178545.db2.gz FJHPQMJAIGLCBZ-LJQANCHMSA-N 2 1 322.493 2.522 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268866830 268185923 /nfs/dbraw/zinc/18/59/23/268185923.db2.gz HNVDIKPGAAXXRU-SFHVURJKSA-N 2 1 304.478 2.690 20 0 DFADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000270607757 268190909 /nfs/dbraw/zinc/19/09/09/268190909.db2.gz HRKBIDXUTWNZEJ-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000270607757 268190912 /nfs/dbraw/zinc/19/09/12/268190912.db2.gz HRKBIDXUTWNZEJ-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000270604987 268191142 /nfs/dbraw/zinc/19/11/42/268191142.db2.gz GOTYTABBBQSBRZ-MJGOQNOKSA-N 2 1 312.461 2.834 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000270604987 268191144 /nfs/dbraw/zinc/19/11/44/268191144.db2.gz GOTYTABBBQSBRZ-MJGOQNOKSA-N 2 1 312.461 2.834 20 0 DFADMP O[C@@H]1c2ccccc2C[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000270781193 268215355 /nfs/dbraw/zinc/21/53/55/268215355.db2.gz JWXHGYWRWVNWGJ-RTBURBONSA-N 2 1 300.446 2.595 20 0 DFADMP O[C@H]1c2ccccc2C[C@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000270781187 268215705 /nfs/dbraw/zinc/21/57/05/268215705.db2.gz JWXHGYWRWVNWGJ-MOPGFXCFSA-N 2 1 300.446 2.595 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccc(C)cc2)CC1 ZINC000047960024 425872548 /nfs/dbraw/zinc/87/25/48/425872548.db2.gz YBHPZNNNMMRKCF-INIZCTEOSA-N 2 1 317.477 2.588 20 0 DFADMP CC(C)[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272656350 268252579 /nfs/dbraw/zinc/25/25/79/268252579.db2.gz LPOQTQLHYNUBKX-WDSOQIARSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000275641552 268260174 /nfs/dbraw/zinc/26/01/74/268260174.db2.gz AOUAAPPYRFKXNU-HZPDHXFCSA-N 2 1 322.468 2.954 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000277599595 268265689 /nfs/dbraw/zinc/26/56/89/268265689.db2.gz ONDKGUFBSWBPPO-DZGCQCFKSA-N 2 1 312.417 2.755 20 0 DFADMP Cc1cc(C)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000282044040 268271103 /nfs/dbraw/zinc/27/11/03/268271103.db2.gz ATLJKOGVNKNEEM-UHFFFAOYSA-N 2 1 303.494 2.727 20 0 DFADMP C[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000298083744 268312562 /nfs/dbraw/zinc/31/25/62/268312562.db2.gz MEIYIVKJVPAAQU-PXNSSMCTSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CC2)C1 ZINC000298083744 268312564 /nfs/dbraw/zinc/31/25/64/268312564.db2.gz MEIYIVKJVPAAQU-PXNSSMCTSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CC2)C1 ZINC000298083744 268312565 /nfs/dbraw/zinc/31/25/65/268312565.db2.gz MEIYIVKJVPAAQU-PXNSSMCTSA-N 2 1 313.489 2.677 20 0 DFADMP Cc1cc(N2CCC[N@H+](Cc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000298166565 268314022 /nfs/dbraw/zinc/31/40/22/268314022.db2.gz WKECWEBMIKOXSP-UHFFFAOYSA-N 2 1 314.408 2.945 20 0 DFADMP Cc1cc(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)nc(C)[nH+]1 ZINC000298166565 268314024 /nfs/dbraw/zinc/31/40/24/268314024.db2.gz WKECWEBMIKOXSP-UHFFFAOYSA-N 2 1 314.408 2.945 20 0 DFADMP Cc1cccc2c(N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)cc[nH+]c12 ZINC000302523823 268324554 /nfs/dbraw/zinc/32/45/54/268324554.db2.gz YXZVOZQPTSMABI-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H](CC[NH2+]C[C@H](O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000307935311 268334548 /nfs/dbraw/zinc/33/45/48/268334548.db2.gz DRVKMASVQNXIFG-DZGCQCFKSA-N 2 1 318.383 2.800 20 0 DFADMP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000309930811 268336641 /nfs/dbraw/zinc/33/66/41/268336641.db2.gz ZBGNIQPCRAAUQE-PMACEKPBSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000309930811 268336642 /nfs/dbraw/zinc/33/66/42/268336642.db2.gz ZBGNIQPCRAAUQE-PMACEKPBSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc1 ZINC000309930811 268336643 /nfs/dbraw/zinc/33/66/43/268336643.db2.gz ZBGNIQPCRAAUQE-PMACEKPBSA-N 2 1 313.489 2.867 20 0 DFADMP Clc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc2c1OCO2 ZINC000314706980 268341838 /nfs/dbraw/zinc/34/18/38/268341838.db2.gz HJYYNTJVVVIAFH-BETUJISGSA-N 2 1 308.809 2.500 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000322374627 268349358 /nfs/dbraw/zinc/34/93/58/268349358.db2.gz LLVKLIFFEGRJPQ-AGUYFDCRSA-N 2 1 308.495 2.704 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000322374627 268349359 /nfs/dbraw/zinc/34/93/59/268349359.db2.gz LLVKLIFFEGRJPQ-AGUYFDCRSA-N 2 1 308.495 2.704 20 0 DFADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC(c2ncc[nH]2)CC1 ZINC000333359981 268393602 /nfs/dbraw/zinc/39/36/02/268393602.db2.gz XFZZPHJXJHBDGZ-MRXNPFEDSA-N 2 1 316.449 2.523 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1)C1CCCCC1 ZINC000126004533 426000900 /nfs/dbraw/zinc/00/09/00/426000900.db2.gz XXYDNWPXOVCFDH-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CCN(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000158588394 425944456 /nfs/dbraw/zinc/94/44/56/425944456.db2.gz JLDUILXEPLZZJI-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000158588394 425944458 /nfs/dbraw/zinc/94/44/58/425944458.db2.gz JLDUILXEPLZZJI-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000158588394 425944462 /nfs/dbraw/zinc/94/44/62/425944462.db2.gz JLDUILXEPLZZJI-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000158588394 425944465 /nfs/dbraw/zinc/94/44/65/425944465.db2.gz JLDUILXEPLZZJI-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1)CC(F)(F)F ZINC000124944918 425946491 /nfs/dbraw/zinc/94/64/91/425946491.db2.gz PTNXZBYJELGRMM-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000124944918 425946493 /nfs/dbraw/zinc/94/64/93/425946493.db2.gz PTNXZBYJELGRMM-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C1)CC(F)(F)F ZINC000124944918 425946496 /nfs/dbraw/zinc/94/64/96/425946496.db2.gz PTNXZBYJELGRMM-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000158845477 425948799 /nfs/dbraw/zinc/94/87/99/425948799.db2.gz TUSRGUBGYNFGCP-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP CC(C)N(C)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159020087 425952702 /nfs/dbraw/zinc/95/27/02/425952702.db2.gz PDDMAPTVYPURGV-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000159209584 425956894 /nfs/dbraw/zinc/95/68/94/425956894.db2.gz CDHQKWMXAMGBGK-HNNXBMFYSA-N 2 1 308.470 2.616 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000104237611 425961259 /nfs/dbraw/zinc/96/12/59/425961259.db2.gz RIXOPXZGYXVEQQ-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000104237616 425961476 /nfs/dbraw/zinc/96/14/76/425961476.db2.gz RIXOPXZGYXVEQQ-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125306587 425964973 /nfs/dbraw/zinc/96/49/73/425964973.db2.gz UKFZDGOKTFZOEC-ZHALLVOQSA-N 2 1 304.478 2.954 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC2OCCO2)cc1 ZINC000125509273 425976703 /nfs/dbraw/zinc/97/67/03/425976703.db2.gz LFQMCYGLOFARAL-CYBMUJFWSA-N 2 1 301.390 2.594 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[NH+](C)C ZINC000126567746 426026725 /nfs/dbraw/zinc/02/67/25/426026725.db2.gz ZWYHKLXEBAXYRQ-SUMWQHHRSA-N 2 1 314.433 2.698 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000161619459 426032444 /nfs/dbraw/zinc/03/24/44/426032444.db2.gz YFLKVYJXVLNBTK-NUEKZKHPSA-N 2 1 302.418 2.735 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CC[NH+](C2CCCCC2)CC1 ZINC000162294701 426059209 /nfs/dbraw/zinc/05/92/09/426059209.db2.gz KBORIQZSEQHANT-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP C[N@H+](CCC(=O)NCC1CCCCC1)CC[C@H]1CCCC[NH+]1C ZINC000075859933 426088500 /nfs/dbraw/zinc/08/85/00/426088500.db2.gz BBFHKQTUGIBYHC-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP C[NH+](CCC(=O)NCC1CCCCC1)CC[C@H]1CCCC[N@@H+]1C ZINC000075859933 426088502 /nfs/dbraw/zinc/08/85/02/426088502.db2.gz BBFHKQTUGIBYHC-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP C[NH+](CCC(=O)NCC1CCCCC1)CC[C@H]1CCCC[N@H+]1C ZINC000075859933 426088506 /nfs/dbraw/zinc/08/85/06/426088506.db2.gz BBFHKQTUGIBYHC-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000163086210 426089119 /nfs/dbraw/zinc/08/91/19/426089119.db2.gz YIZCCIODCQVODA-PWSUYJOCSA-N 2 1 317.264 2.873 20 0 DFADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000128105589 426102095 /nfs/dbraw/zinc/10/20/95/426102095.db2.gz CAGSUESIXXGSAC-ZWKOTPCHSA-N 2 1 323.525 2.912 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)c1 ZINC000128130136 426103536 /nfs/dbraw/zinc/10/35/36/426103536.db2.gz QJBZLNYGZYMPEQ-IRXDYDNUSA-N 2 1 317.477 2.541 20 0 DFADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)CC1 ZINC000164563484 426115585 /nfs/dbraw/zinc/11/55/85/426115585.db2.gz JPPZPDUHNZNEST-INIZCTEOSA-N 2 1 319.474 2.520 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@H+](C)C(C)C ZINC000128521957 426121020 /nfs/dbraw/zinc/12/10/20/426121020.db2.gz YJLLPOYVFJSBRJ-UHFFFAOYSA-N 2 1 303.450 2.870 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC000165329570 426121817 /nfs/dbraw/zinc/12/18/17/426121817.db2.gz IDLCDQKPUQEHLV-RBUKOAKNSA-N 2 1 304.478 2.812 20 0 DFADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1OC ZINC000128597693 426124485 /nfs/dbraw/zinc/12/44/85/426124485.db2.gz QLLXJYYZJIUMJQ-GOSISDBHSA-N 2 1 319.493 2.764 20 0 DFADMP CC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000165883855 426124785 /nfs/dbraw/zinc/12/47/85/426124785.db2.gz SUPXTRMMNWLVSC-SFHVURJKSA-N 2 1 317.477 2.805 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1)C1CC1 ZINC000128728087 426130057 /nfs/dbraw/zinc/13/00/57/426130057.db2.gz KXSRRIZCIKTOMX-QZTJIDSGSA-N 2 1 315.461 2.671 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000128750531 426131937 /nfs/dbraw/zinc/13/19/37/426131937.db2.gz BJTBCAGLNZCNKU-YESZJQIVSA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000128750531 426131940 /nfs/dbraw/zinc/13/19/40/426131940.db2.gz BJTBCAGLNZCNKU-YESZJQIVSA-N 2 1 317.477 2.736 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000114479360 426137242 /nfs/dbraw/zinc/13/72/42/426137242.db2.gz VPSFBDKUZSRMHO-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000114479360 426137245 /nfs/dbraw/zinc/13/72/45/426137245.db2.gz VPSFBDKUZSRMHO-OAHLLOKOSA-N 2 1 314.433 2.553 20 0 DFADMP CC[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000162741013 426074624 /nfs/dbraw/zinc/07/46/24/426074624.db2.gz FDKUCANKZJTGQH-SFHVURJKSA-N 2 1 300.450 2.983 20 0 DFADMP CC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000162741013 426074630 /nfs/dbraw/zinc/07/46/30/426074630.db2.gz FDKUCANKZJTGQH-SFHVURJKSA-N 2 1 300.450 2.983 20 0 DFADMP COC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(C)C ZINC000162770773 426075833 /nfs/dbraw/zinc/07/58/33/426075833.db2.gz MOQWCTAPIIMYLU-QGZVFWFLSA-N 2 1 323.481 2.764 20 0 DFADMP CC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162780731 426077249 /nfs/dbraw/zinc/07/72/49/426077249.db2.gz BCTRVBVEROQGCX-INIZCTEOSA-N 2 1 309.454 2.518 20 0 DFADMP C[N@@H+](CCCN[C@@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000127692026 426080320 /nfs/dbraw/zinc/08/03/20/426080320.db2.gz UNXVRGYAUKRFQB-RTBURBONSA-N 3 1 301.478 2.725 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000127692026 426080325 /nfs/dbraw/zinc/08/03/25/426080325.db2.gz UNXVRGYAUKRFQB-RTBURBONSA-N 3 1 301.478 2.725 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000127692026 426080329 /nfs/dbraw/zinc/08/03/29/426080329.db2.gz UNXVRGYAUKRFQB-RTBURBONSA-N 3 1 301.478 2.725 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000162891269 426081472 /nfs/dbraw/zinc/08/14/72/426081472.db2.gz KSOFZOUVGOHIMH-ZWKOTPCHSA-N 2 1 317.477 2.675 20 0 DFADMP COc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835885 426086319 /nfs/dbraw/zinc/08/63/19/426086319.db2.gz PGCKLFXMPHVZKO-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP COc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835885 426086322 /nfs/dbraw/zinc/08/63/22/426086322.db2.gz PGCKLFXMPHVZKO-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000170718345 426146519 /nfs/dbraw/zinc/14/65/19/426146519.db2.gz JOZOCPFUKXUPLU-AWEZNQCLSA-N 2 1 306.454 2.600 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000130479568 426159900 /nfs/dbraw/zinc/15/99/00/426159900.db2.gz LQQIHGUHVGKAKT-OAHLLOKOSA-N 2 1 314.433 2.849 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1C ZINC000130479568 426159901 /nfs/dbraw/zinc/15/99/01/426159901.db2.gz LQQIHGUHVGKAKT-OAHLLOKOSA-N 2 1 314.433 2.849 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1)C(C)C ZINC000133573296 426181217 /nfs/dbraw/zinc/18/12/17/426181217.db2.gz QKOJXUKMVADREA-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000116396078 426188906 /nfs/dbraw/zinc/18/89/06/426188906.db2.gz JYXHBASAUVICQI-JKSUJKDBSA-N 2 1 313.530 2.976 20 0 DFADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC1CCCCC1 ZINC000116397310 426189174 /nfs/dbraw/zinc/18/91/74/426189174.db2.gz CYRUYPJJVVUYIW-HOCLYGCPSA-N 2 1 311.514 2.780 20 0 DFADMP CCCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000171527285 426192287 /nfs/dbraw/zinc/19/22/87/426192287.db2.gz DMPNZBHMZIBXQV-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCCCOC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134893964 426198648 /nfs/dbraw/zinc/19/86/48/426198648.db2.gz BOVLAOYTBRGDGU-ZMSDIMECSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134909580 426199094 /nfs/dbraw/zinc/19/90/94/426199094.db2.gz KCYDMNDMBOWMHP-GDBMZVCRSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134909580 426199097 /nfs/dbraw/zinc/19/90/97/426199097.db2.gz KCYDMNDMBOWMHP-GDBMZVCRSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134909580 426199099 /nfs/dbraw/zinc/19/90/99/426199099.db2.gz KCYDMNDMBOWMHP-GDBMZVCRSA-N 2 1 308.466 2.667 20 0 DFADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1csc(Br)c1 ZINC000084385353 426237237 /nfs/dbraw/zinc/23/72/37/426237237.db2.gz ZIBMKODLAFXVGT-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173525179 426243041 /nfs/dbraw/zinc/24/30/41/426243041.db2.gz FHWUODODPRXTAI-CVEARBPZSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173525179 426243044 /nfs/dbraw/zinc/24/30/44/426243044.db2.gz FHWUODODPRXTAI-CVEARBPZSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173525179 426243045 /nfs/dbraw/zinc/24/30/45/426243045.db2.gz FHWUODODPRXTAI-CVEARBPZSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000173525179 426243047 /nfs/dbraw/zinc/24/30/47/426243047.db2.gz FHWUODODPRXTAI-CVEARBPZSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000137413653 426253917 /nfs/dbraw/zinc/25/39/17/426253917.db2.gz CJHPJASMVYGGDB-QGZVFWFLSA-N 2 1 317.477 2.906 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000171764776 426210122 /nfs/dbraw/zinc/21/01/22/426210122.db2.gz HQBQFSNMVIGZFM-MRXNPFEDSA-N 2 1 323.444 2.862 20 0 DFADMP CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135306979 426213396 /nfs/dbraw/zinc/21/33/96/426213396.db2.gz YXYWZCHJFIOAGA-KRWDZBQOSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC)cc1 ZINC000151366321 426291706 /nfs/dbraw/zinc/29/17/06/426291706.db2.gz JIVIYJGLLVRLNJ-GOSISDBHSA-N 2 1 306.450 2.583 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000119488765 426292105 /nfs/dbraw/zinc/29/21/05/426292105.db2.gz JCZXKILTDYJFAH-CYBMUJFWSA-N 2 1 310.463 2.698 20 0 DFADMP C[C@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000119566798 426297307 /nfs/dbraw/zinc/29/73/07/426297307.db2.gz OUZAJCDLBMRFPK-LPHOPBHVSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120258488 426308833 /nfs/dbraw/zinc/30/88/33/426308833.db2.gz RLYXYXLLTWIUJL-KFWWJZLASA-N 2 1 313.486 2.562 20 0 DFADMP CC[C@@H](CNC1CC[NH+](Cc2cccnc2)CC1)[NH+]1CCCC1 ZINC000151718526 426309253 /nfs/dbraw/zinc/30/92/53/426309253.db2.gz RPFAYYDDXJFXCV-IBGZPJMESA-N 2 1 316.493 2.510 20 0 DFADMP COc1cccc(C[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C2CC2)c1 ZINC000121107368 426322572 /nfs/dbraw/zinc/32/25/72/426322572.db2.gz MKVNCKCTFGVFAA-MOPGFXCFSA-N 2 1 302.462 2.946 20 0 DFADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002160 426323922 /nfs/dbraw/zinc/32/39/22/426323922.db2.gz JRBWWXBUXVAICS-NVXWUHKLSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002160 426323924 /nfs/dbraw/zinc/32/39/24/426323924.db2.gz JRBWWXBUXVAICS-NVXWUHKLSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002160 426323926 /nfs/dbraw/zinc/32/39/26/426323926.db2.gz JRBWWXBUXVAICS-NVXWUHKLSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002160 426323927 /nfs/dbraw/zinc/32/39/27/426323927.db2.gz JRBWWXBUXVAICS-NVXWUHKLSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000121238838 426326926 /nfs/dbraw/zinc/32/69/26/426326926.db2.gz QVWHZZMDJVYNFJ-PBHICJAKSA-N 2 1 307.507 2.785 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC000121238838 426326927 /nfs/dbraw/zinc/32/69/27/426326927.db2.gz QVWHZZMDJVYNFJ-PBHICJAKSA-N 2 1 307.507 2.785 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000152152413 426329294 /nfs/dbraw/zinc/32/92/94/426329294.db2.gz HZUGLKWCDJDHPJ-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090719025 426331012 /nfs/dbraw/zinc/33/10/12/426331012.db2.gz OFWMLPAHEWCJLQ-GPMSIDNRSA-N 2 1 320.477 2.920 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCCOC)c2)[C@H](C)C1 ZINC000090718686 426331031 /nfs/dbraw/zinc/33/10/31/426331031.db2.gz ZUWLJUTXGMWZHV-VQIMIIECSA-N 2 1 320.477 2.922 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000090888334 426332914 /nfs/dbraw/zinc/33/29/14/426332914.db2.gz IHGZHAGVMNETSQ-QAPCUYQASA-N 2 1 320.477 2.956 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000121360215 426336682 /nfs/dbraw/zinc/33/66/82/426336682.db2.gz LUHCAIISBHRYBV-NXHRZFHOSA-N 2 1 324.428 2.623 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129692 426280310 /nfs/dbraw/zinc/28/03/10/426280310.db2.gz SAIJACLOQKRIPG-DYVFJYSZSA-N 2 1 322.424 2.774 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129692 426280315 /nfs/dbraw/zinc/28/03/15/426280315.db2.gz SAIJACLOQKRIPG-DYVFJYSZSA-N 2 1 322.424 2.774 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129692 426280317 /nfs/dbraw/zinc/28/03/17/426280317.db2.gz SAIJACLOQKRIPG-DYVFJYSZSA-N 2 1 322.424 2.774 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129692 426280319 /nfs/dbraw/zinc/28/03/19/426280319.db2.gz SAIJACLOQKRIPG-DYVFJYSZSA-N 2 1 322.424 2.774 20 0 DFADMP CC[N@H+](CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1)C(C)C ZINC000089146343 426281374 /nfs/dbraw/zinc/28/13/74/426281374.db2.gz WDBCUXVBPPPLQX-UHFFFAOYSA-N 2 1 313.486 2.563 20 0 DFADMP CC[N@@H+](CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1)C(C)C ZINC000089146343 426281377 /nfs/dbraw/zinc/28/13/77/426281377.db2.gz WDBCUXVBPPPLQX-UHFFFAOYSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000122808863 426396190 /nfs/dbraw/zinc/39/61/90/426396190.db2.gz RMOUVMHZKCVWEL-HIFRSBDPSA-N 2 1 304.434 2.765 20 0 DFADMP COCC[N@@H+](C)CCCN[C@@H]1CCCOc2ccc(F)cc21 ZINC000153741360 426402904 /nfs/dbraw/zinc/40/29/04/426402904.db2.gz DBCDEZOFIWOMHV-MRXNPFEDSA-N 2 1 310.413 2.597 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(F)cc21 ZINC000153741360 426402907 /nfs/dbraw/zinc/40/29/07/426402907.db2.gz DBCDEZOFIWOMHV-MRXNPFEDSA-N 2 1 310.413 2.597 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(C)cc21 ZINC000153760965 426404030 /nfs/dbraw/zinc/40/40/30/426404030.db2.gz HIEIKLSVSBGIDF-KRWDZBQOSA-N 2 1 306.450 2.767 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[N@@H+]1C ZINC000122406373 426373311 /nfs/dbraw/zinc/37/33/11/426373311.db2.gz RYBILWMGIDGDOK-YOEHRIQHSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[N@H+]1C ZINC000122406373 426373315 /nfs/dbraw/zinc/37/33/15/426373315.db2.gz RYBILWMGIDGDOK-YOEHRIQHSA-N 2 1 315.461 2.998 20 0 DFADMP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC000153492285 426388102 /nfs/dbraw/zinc/38/81/02/426388102.db2.gz PKTMBTXTGPBYKO-LPHOPBHVSA-N 2 1 320.477 2.668 20 0 DFADMP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC000153492285 426388103 /nfs/dbraw/zinc/38/81/03/426388103.db2.gz PKTMBTXTGPBYKO-LPHOPBHVSA-N 2 1 320.477 2.668 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000122779997 426393030 /nfs/dbraw/zinc/39/30/30/426393030.db2.gz WJGGCZDBAYFLFF-UWVAXJGDSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000122779997 426393033 /nfs/dbraw/zinc/39/30/33/426393033.db2.gz WJGGCZDBAYFLFF-UWVAXJGDSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000122779997 426393037 /nfs/dbraw/zinc/39/30/37/426393037.db2.gz WJGGCZDBAYFLFF-UWVAXJGDSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122779997 426393040 /nfs/dbraw/zinc/39/30/40/426393040.db2.gz WJGGCZDBAYFLFF-UWVAXJGDSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122779997 426393043 /nfs/dbraw/zinc/39/30/43/426393043.db2.gz WJGGCZDBAYFLFF-UWVAXJGDSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@H+]1C ZINC000154004668 426418247 /nfs/dbraw/zinc/41/82/47/426418247.db2.gz JLVJKFPHXHJOFG-ULQDDVLXSA-N 2 1 305.466 2.879 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000154016081 426420333 /nfs/dbraw/zinc/42/03/33/426420333.db2.gz PXRHZTPUEKLCHQ-PVAVHDDUSA-N 2 1 305.466 2.797 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000123264575 426423733 /nfs/dbraw/zinc/42/37/33/426423733.db2.gz DLXLORBQLBEJFZ-QGZVFWFLSA-N 2 1 302.418 2.530 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000123264575 426423738 /nfs/dbraw/zinc/42/37/38/426423738.db2.gz DLXLORBQLBEJFZ-QGZVFWFLSA-N 2 1 302.418 2.530 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@]1(C)CCCO1 ZINC000340464458 268979022 /nfs/dbraw/zinc/97/90/22/268979022.db2.gz PJKHLAIUCBBIMU-QFBILLFUSA-N 2 1 318.461 2.566 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154478655 426442750 /nfs/dbraw/zinc/44/27/50/426442750.db2.gz PLKCHVKMTQSSSO-YLJYHZDGSA-N 2 1 315.505 2.927 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000340698422 269001169 /nfs/dbraw/zinc/00/11/69/269001169.db2.gz OUYWQBGIXIOBOE-KDOFPFPSSA-N 2 1 306.425 2.698 20 0 DFADMP C[N@H+](Cc1ccc(Cl)nc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177208228 426453513 /nfs/dbraw/zinc/45/35/13/426453513.db2.gz VBQVOVRLKZBNJG-UHFFFAOYSA-N 2 1 313.792 2.948 20 0 DFADMP C[N@@H+](Cc1ccc(Cl)nc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177208228 426453515 /nfs/dbraw/zinc/45/35/15/426453515.db2.gz VBQVOVRLKZBNJG-UHFFFAOYSA-N 2 1 313.792 2.948 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000177216910 426455851 /nfs/dbraw/zinc/45/58/51/426455851.db2.gz SHXHNFMVYGMDPI-HZPDHXFCSA-N 2 1 309.498 2.630 20 0 DFADMP COCC[NH+]1CCC(N[C@H]2CCCOc3cc(C)ccc32)CC1 ZINC000154832521 426457923 /nfs/dbraw/zinc/45/79/23/426457923.db2.gz OLRKWBZCPVAWGC-SFHVURJKSA-N 2 1 318.461 2.909 20 0 DFADMP C[NH+]1CCC([NH2+]CCOc2ccc(C(F)(F)F)cc2)CC1 ZINC000177237744 426457975 /nfs/dbraw/zinc/45/79/75/426457975.db2.gz VONJDWWZPVTGIG-UHFFFAOYSA-N 2 1 302.340 2.768 20 0 DFADMP COCC[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124186642 426474173 /nfs/dbraw/zinc/47/41/73/426474173.db2.gz IURAHLYZMCSEFC-YESZJQIVSA-N 2 1 320.477 2.810 20 0 DFADMP CN(CC[N@@H+](C)CCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000177384279 426474662 /nfs/dbraw/zinc/47/46/62/426474662.db2.gz QATDUUGTGHGPOC-UHFFFAOYSA-N 2 1 303.494 2.577 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1cncc(Br)c1 ZINC000124221819 426475287 /nfs/dbraw/zinc/47/52/87/426475287.db2.gz IQNYPIUUYYPSGT-UHFFFAOYSA-N 2 1 300.244 2.666 20 0 DFADMP C[C@@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCCn1ccnc1 ZINC000124340928 426480736 /nfs/dbraw/zinc/48/07/36/426480736.db2.gz SUYMQXSVKQOUIL-LBPRGKRZSA-N 2 1 322.359 2.510 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccnc1Cl ZINC000124388181 426483003 /nfs/dbraw/zinc/48/30/03/426483003.db2.gz BMGLSZVUJCKJAM-AWEZNQCLSA-N 2 1 324.900 2.659 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124400648 426483207 /nfs/dbraw/zinc/48/32/07/426483207.db2.gz RHIRUJUSVJXDNQ-INIZCTEOSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101631949 426485582 /nfs/dbraw/zinc/48/55/82/426485582.db2.gz WARZNWOGQJTGIJ-MJBXVCDLSA-N 2 1 309.498 2.673 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000195196207 426506993 /nfs/dbraw/zinc/50/69/93/426506993.db2.gz PRNIBOUDFBJOCD-SJLPKXTDSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000195196207 426506998 /nfs/dbraw/zinc/50/69/98/426506998.db2.gz PRNIBOUDFBJOCD-SJLPKXTDSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186342121 426508078 /nfs/dbraw/zinc/50/80/78/426508078.db2.gz OFTYRISJOGXEKX-SNPYCJMFSA-N 2 1 317.477 2.530 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186342090 426509000 /nfs/dbraw/zinc/50/90/00/426509000.db2.gz OFTYRISJOGXEKX-CTFRIIQPSA-N 2 1 317.477 2.530 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000280248483 426529675 /nfs/dbraw/zinc/52/96/75/426529675.db2.gz BVDDBTGZDHPGRK-BGYRXZFFSA-N 2 1 307.441 2.688 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000280248483 426529680 /nfs/dbraw/zinc/52/96/80/426529680.db2.gz BVDDBTGZDHPGRK-BGYRXZFFSA-N 2 1 307.441 2.688 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCc4cccnc4)C[C@H]3C2)cc1 ZINC000280248483 426529687 /nfs/dbraw/zinc/52/96/87/426529687.db2.gz BVDDBTGZDHPGRK-BGYRXZFFSA-N 2 1 307.441 2.688 20 0 DFADMP Cc1cnn(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272469880 426533183 /nfs/dbraw/zinc/53/31/83/426533183.db2.gz LEFKWKRFIOTKDN-IEBWSBKVSA-N 2 1 312.461 2.692 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000272476472 426535552 /nfs/dbraw/zinc/53/55/52/426535552.db2.gz IUOAQDHFVKIXNA-DDBAPUKQSA-N 2 1 302.462 2.789 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000272476472 426535555 /nfs/dbraw/zinc/53/55/55/426535555.db2.gz IUOAQDHFVKIXNA-DDBAPUKQSA-N 2 1 302.462 2.789 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186516604 426542954 /nfs/dbraw/zinc/54/29/54/426542954.db2.gz YRFZZGJYEBAXEL-LSTKMXGYSA-N 2 1 302.462 2.610 20 0 DFADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000186171337 426490390 /nfs/dbraw/zinc/49/03/90/426490390.db2.gz CNFJOZYLWCJZST-UONOGXRCSA-N 2 1 324.490 2.908 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000265218282 426599369 /nfs/dbraw/zinc/59/93/69/426599369.db2.gz NTYDAKSUOCDQGR-DZGCQCFKSA-N 2 1 317.437 2.507 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000265218282 426599372 /nfs/dbraw/zinc/59/93/72/426599372.db2.gz NTYDAKSUOCDQGR-DZGCQCFKSA-N 2 1 317.437 2.507 20 0 DFADMP COc1ccc(OCC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178306294 426602122 /nfs/dbraw/zinc/60/21/22/426602122.db2.gz WNMNSUYIEVBTSK-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cc1 ZINC000178306294 426602125 /nfs/dbraw/zinc/60/21/25/426602125.db2.gz WNMNSUYIEVBTSK-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP CNC(=O)c1ccc(C[N@@H+](C)CCCc2cnccc2C)cc1 ZINC000289200811 426602984 /nfs/dbraw/zinc/60/29/84/426602984.db2.gz VJZMIIHKZCDMBO-UHFFFAOYSA-N 2 1 311.429 2.814 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c1 ZINC000178306872 426604169 /nfs/dbraw/zinc/60/41/69/426604169.db2.gz XHAQHJSOCAALKS-INIZCTEOSA-N 2 1 315.417 2.873 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1C ZINC000273162149 426605710 /nfs/dbraw/zinc/60/57/10/426605710.db2.gz KQXWHKMXAODTQA-MRXNPFEDSA-N 2 1 320.477 2.809 20 0 DFADMP C[C@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607577 426613100 /nfs/dbraw/zinc/61/31/00/426613100.db2.gz XLLJBQWCMWDWCC-GDAAHCPNSA-N 2 1 300.446 2.618 20 0 DFADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607577 426613103 /nfs/dbraw/zinc/61/31/03/426613103.db2.gz XLLJBQWCMWDWCC-GDAAHCPNSA-N 2 1 300.446 2.618 20 0 DFADMP C[C@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607577 426613106 /nfs/dbraw/zinc/61/31/06/426613106.db2.gz XLLJBQWCMWDWCC-GDAAHCPNSA-N 2 1 300.446 2.618 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000289279514 426619061 /nfs/dbraw/zinc/61/90/61/426619061.db2.gz ONECUKCETXOJRJ-UHFFFAOYSA-N 2 1 322.449 2.764 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000272580052 426564237 /nfs/dbraw/zinc/56/42/37/426564237.db2.gz VBLZRYCDMGCJPB-LAVFITLUSA-N 2 1 302.462 2.646 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000272580052 426564240 /nfs/dbraw/zinc/56/42/40/426564240.db2.gz VBLZRYCDMGCJPB-LAVFITLUSA-N 2 1 302.462 2.646 20 0 DFADMP Cc1nc(C[C@H]2CCC[N@@H+](CCCc3cnccc3C)C2)no1 ZINC000289344300 426631333 /nfs/dbraw/zinc/63/13/33/426631333.db2.gz MFPCIRBHMADORD-MRXNPFEDSA-N 2 1 314.433 2.969 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187115253 426631911 /nfs/dbraw/zinc/63/19/11/426631911.db2.gz SWNQQFWCTOPUPB-HOCLYGCPSA-N 2 1 308.441 2.944 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000280687967 426634396 /nfs/dbraw/zinc/63/43/96/426634396.db2.gz JAUXPHBMMNTGFX-OAHLLOKOSA-N 2 1 317.433 2.713 20 0 DFADMP Cc1cccnc1OC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000289367122 426637728 /nfs/dbraw/zinc/63/77/28/426637728.db2.gz JOGQPTFCSOTGHV-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1cccnc1OC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000289367122 426637730 /nfs/dbraw/zinc/63/77/30/426637730.db2.gz JOGQPTFCSOTGHV-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP CC(=O)NCCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000280706827 426638231 /nfs/dbraw/zinc/63/82/31/426638231.db2.gz AZFDOGJLYUYQRF-UHFFFAOYSA-N 2 1 317.477 2.545 20 0 DFADMP Cc1cc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)ccc1F ZINC000289385048 426643301 /nfs/dbraw/zinc/64/33/01/426643301.db2.gz DALRJLNEBMPJER-UHFFFAOYSA-N 2 1 307.457 2.592 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000289382452 426643783 /nfs/dbraw/zinc/64/37/83/426643783.db2.gz BRZPBLLTBFBFEW-HAGHYFMRSA-N 2 1 314.473 2.710 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000289382452 426643785 /nfs/dbraw/zinc/64/37/85/426643785.db2.gz BRZPBLLTBFBFEW-HAGHYFMRSA-N 2 1 314.473 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000289382452 426643788 /nfs/dbraw/zinc/64/37/88/426643788.db2.gz BRZPBLLTBFBFEW-HAGHYFMRSA-N 2 1 314.473 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000289382452 426643792 /nfs/dbraw/zinc/64/37/92/426643792.db2.gz BRZPBLLTBFBFEW-HAGHYFMRSA-N 2 1 314.473 2.710 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cncc(Br)c1 ZINC000231774441 426653742 /nfs/dbraw/zinc/65/37/42/426653742.db2.gz PEZGVDMMFBRHTE-UHFFFAOYSA-N 2 1 300.244 2.664 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cncc(Br)c1 ZINC000231774441 426653746 /nfs/dbraw/zinc/65/37/46/426653746.db2.gz PEZGVDMMFBRHTE-UHFFFAOYSA-N 2 1 300.244 2.664 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)C[NH+]1CCCC1 ZINC000273400841 426658546 /nfs/dbraw/zinc/65/85/46/426658546.db2.gz NAALBVKCJQWNKJ-SUMWQHHRSA-N 2 1 308.853 2.764 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2occc2c1 ZINC000289437752 426659317 /nfs/dbraw/zinc/65/93/17/426659317.db2.gz LPESSNPWPXXALZ-UHFFFAOYSA-N 2 1 301.434 2.502 20 0 DFADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)c(C)c1 ZINC000289482433 426666771 /nfs/dbraw/zinc/66/67/71/426666771.db2.gz YDPLYVPJYRGLON-SJLPKXTDSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)c(C)c1 ZINC000289482433 426666774 /nfs/dbraw/zinc/66/67/74/426666774.db2.gz YDPLYVPJYRGLON-SJLPKXTDSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c(C)c1 ZINC000289482433 426666778 /nfs/dbraw/zinc/66/67/78/426666778.db2.gz YDPLYVPJYRGLON-SJLPKXTDSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c(C)c1 ZINC000289482433 426666783 /nfs/dbraw/zinc/66/67/83/426666783.db2.gz YDPLYVPJYRGLON-SJLPKXTDSA-N 2 1 302.462 2.548 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000289520865 426668920 /nfs/dbraw/zinc/66/89/20/426668920.db2.gz FYNLJQZKFNXCCH-HZPDHXFCSA-N 2 1 305.809 2.736 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000236680552 426675261 /nfs/dbraw/zinc/67/52/61/426675261.db2.gz ZOJAIQOLSMQMDJ-QGZVFWFLSA-N 2 1 317.477 2.532 20 0 DFADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178701740 426678010 /nfs/dbraw/zinc/67/80/10/426678010.db2.gz CQKSGSZCMNRYOM-YJBOKZPZSA-N 2 1 301.434 2.675 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178702674 426678896 /nfs/dbraw/zinc/67/88/96/426678896.db2.gz LWPNBCSLJCJDOM-SOHPYSCWSA-N 2 1 319.474 2.916 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178701786 426678966 /nfs/dbraw/zinc/67/89/66/426678966.db2.gz CQKSGSZCMNRYOM-CRAIPNDOSA-N 2 1 301.434 2.675 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+]2)c1 ZINC000236727634 426679814 /nfs/dbraw/zinc/67/98/14/426679814.db2.gz RBJCWMDWWMORPK-GOSISDBHSA-N 2 1 317.477 2.677 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000236748786 426682945 /nfs/dbraw/zinc/68/29/45/426682945.db2.gz CSYJHVAASVVYFA-QGZVFWFLSA-N 2 1 309.498 2.537 20 0 DFADMP CCN(C[C@@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1cccc(OC)c1 ZINC000290067850 426685515 /nfs/dbraw/zinc/68/55/15/426685515.db2.gz TWYVCROHFKQMRZ-PBHICJAKSA-N 2 1 306.450 2.533 20 0 DFADMP CC[N@H+](C[C@@H](O)CN(C)C1CC1)[C@H](C)c1cccc(OC)c1 ZINC000290067850 426685520 /nfs/dbraw/zinc/68/55/20/426685520.db2.gz TWYVCROHFKQMRZ-PBHICJAKSA-N 2 1 306.450 2.533 20 0 DFADMP CC[N@@H+](C[C@@H](O)CN(C)C1CC1)[C@H](C)c1cccc(OC)c1 ZINC000290067850 426685526 /nfs/dbraw/zinc/68/55/26/426685526.db2.gz TWYVCROHFKQMRZ-PBHICJAKSA-N 2 1 306.450 2.533 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)[C@@H]1c1cccs1 ZINC000237114479 426689569 /nfs/dbraw/zinc/68/95/69/426689569.db2.gz APHFMKODIRFGNK-DZGCQCFKSA-N 2 1 321.490 2.519 20 0 DFADMP COc1cncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000290086334 426689007 /nfs/dbraw/zinc/68/90/07/426689007.db2.gz WWFAOALPHJJZBZ-ZBFHGGJFSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000290086334 426689014 /nfs/dbraw/zinc/68/90/14/426689014.db2.gz WWFAOALPHJJZBZ-ZBFHGGJFSA-N 2 1 303.450 2.833 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000290145213 426702887 /nfs/dbraw/zinc/70/28/87/426702887.db2.gz KYBJVUJHGOXVDX-SIZVQLJJSA-N 2 1 302.462 2.910 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2ccc(Br)o2)CC[N@H+]1C ZINC000188075911 426720415 /nfs/dbraw/zinc/72/04/15/426720415.db2.gz PXKFYOXUDHEHDQ-GHMZBOCLSA-N 2 1 301.228 2.957 20 0 DFADMP C[C@H](CN[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237609301 426693472 /nfs/dbraw/zinc/69/34/72/426693472.db2.gz AFCQBEKSEJWGIV-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP COc1cc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1O ZINC000290461052 426769467 /nfs/dbraw/zinc/76/94/67/426769467.db2.gz UARFOBHOFORMCC-AWEZNQCLSA-N 2 1 322.449 2.619 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1O ZINC000290461052 426769471 /nfs/dbraw/zinc/76/94/71/426769471.db2.gz UARFOBHOFORMCC-AWEZNQCLSA-N 2 1 322.449 2.619 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1O ZINC000290461052 426769475 /nfs/dbraw/zinc/76/94/75/426769475.db2.gz UARFOBHOFORMCC-AWEZNQCLSA-N 2 1 322.449 2.619 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1O ZINC000290478198 426773137 /nfs/dbraw/zinc/77/31/37/426773137.db2.gz NXXQCVCYLWGRSX-INIZCTEOSA-N 2 1 304.434 2.565 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000290482774 426775116 /nfs/dbraw/zinc/77/51/16/426775116.db2.gz DUDAHMMGQXUOMW-OAHLLOKOSA-N 2 1 305.466 2.598 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290512840 426781521 /nfs/dbraw/zinc/78/15/21/426781521.db2.gz PREYIKVNMFDFJY-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290512840 426781523 /nfs/dbraw/zinc/78/15/23/426781523.db2.gz PREYIKVNMFDFJY-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP COC[C@@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179370595 426781867 /nfs/dbraw/zinc/78/18/67/426781867.db2.gz NGGUFKQVMVUFHR-MRXNPFEDSA-N 2 1 319.493 2.684 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000290521821 426782702 /nfs/dbraw/zinc/78/27/02/426782702.db2.gz QBEYGUSSEAREGW-CYBMUJFWSA-N 2 1 322.478 2.868 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc([C@@H](C)O)s1 ZINC000290521821 426782715 /nfs/dbraw/zinc/78/27/15/426782715.db2.gz QBEYGUSSEAREGW-CYBMUJFWSA-N 2 1 322.478 2.868 20 0 DFADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000178973893 426727142 /nfs/dbraw/zinc/72/71/42/426727142.db2.gz NRGIGYJHYDTESB-GOSISDBHSA-N 2 1 308.441 2.817 20 0 DFADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000178973885 426727177 /nfs/dbraw/zinc/72/71/77/426727177.db2.gz NRGIGYJHYDTESB-SFHVURJKSA-N 2 1 308.441 2.817 20 0 DFADMP c1ccc(CCCO[C@@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178976569 426730163 /nfs/dbraw/zinc/73/01/63/426730163.db2.gz XDQBZKSRMOUISZ-LJQANCHMSA-N 2 1 302.462 2.710 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnn1-c1ccccc1 ZINC000290290565 426733734 /nfs/dbraw/zinc/73/37/34/426733734.db2.gz AIUXKEPJHFTXQU-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnn1-c1ccccc1 ZINC000290290565 426733737 /nfs/dbraw/zinc/73/37/37/426733737.db2.gz AIUXKEPJHFTXQU-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2c1OCCCO2 ZINC000290312285 426738201 /nfs/dbraw/zinc/73/82/01/426738201.db2.gz CGQQEVHSNDFEIR-UHFFFAOYSA-N 2 1 315.417 2.875 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2c1OCCCO2 ZINC000290312285 426738205 /nfs/dbraw/zinc/73/82/05/426738205.db2.gz CGQQEVHSNDFEIR-UHFFFAOYSA-N 2 1 315.417 2.875 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)[C@H](C)CC(C)C)[C@H](C)C1 ZINC000245436162 426739730 /nfs/dbraw/zinc/73/97/30/426739730.db2.gz QTZHSXOIGQQNNQ-ZACQAIPSSA-N 2 1 311.514 2.542 20 0 DFADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3cncc(F)c3)CC2)C[C@@H](C)O1 ZINC000274329289 426744645 /nfs/dbraw/zinc/74/46/45/426744645.db2.gz FKBJNTLKAAZZIQ-HUUCEWRRSA-N 2 1 321.440 2.542 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)N(C)C ZINC000179166557 426762236 /nfs/dbraw/zinc/76/22/36/426762236.db2.gz SLGHPJDONWUTFF-MSOLQXFVSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000179166557 426762240 /nfs/dbraw/zinc/76/22/40/426762240.db2.gz SLGHPJDONWUTFF-MSOLQXFVSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000179166557 426762242 /nfs/dbraw/zinc/76/22/42/426762242.db2.gz SLGHPJDONWUTFF-MSOLQXFVSA-N 2 1 317.477 2.526 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cncc(Br)c2)C1 ZINC000290427378 426762935 /nfs/dbraw/zinc/76/29/35/426762935.db2.gz LDOSPCYMSUJMTP-UKRRQHHQSA-N 2 1 324.266 2.760 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000290589004 426799832 /nfs/dbraw/zinc/79/98/32/426799832.db2.gz VDIMJXDEZYOAHR-CJNGLKHVSA-N 2 1 316.474 2.977 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)Nc1ccn2ccnc2c1 ZINC000290586760 426800069 /nfs/dbraw/zinc/80/00/69/426800069.db2.gz GGDDBYTWSQAJAA-OAHLLOKOSA-N 2 1 315.421 2.672 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290618736 426806557 /nfs/dbraw/zinc/80/65/57/426806557.db2.gz XBEDDLFFYSGFNX-INIZCTEOSA-N 2 1 318.461 2.868 20 0 DFADMP C[C@@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000246229929 426813495 /nfs/dbraw/zinc/81/34/95/426813495.db2.gz HOTRSCRDRHJXLV-SJORKVTESA-N 2 1 323.525 2.641 20 0 DFADMP CCC(C)(C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000274689705 426818178 /nfs/dbraw/zinc/81/81/78/426818178.db2.gz ZSBGNDSZSBMPFV-INIZCTEOSA-N 2 1 305.466 2.526 20 0 DFADMP O[C@@H](CNc1ccncc1Cl)C[N@H+]1CCc2ccccc2C1 ZINC000267251069 426855025 /nfs/dbraw/zinc/85/50/25/426855025.db2.gz IPBAIZGGWQLEFR-HNNXBMFYSA-N 2 1 317.820 2.566 20 0 DFADMP O[C@@H](CNc1cc[nH+]cc1Cl)C[N@H+]1CCc2ccccc2C1 ZINC000267251069 426855034 /nfs/dbraw/zinc/85/50/34/426855034.db2.gz IPBAIZGGWQLEFR-HNNXBMFYSA-N 2 1 317.820 2.566 20 0 DFADMP Brc1ccc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000266900124 426792427 /nfs/dbraw/zinc/79/24/27/426792427.db2.gz GJOUCJQGYQJNIX-LLVKDONJSA-N 2 1 321.222 2.947 20 0 DFADMP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000188831579 426792619 /nfs/dbraw/zinc/79/26/19/426792619.db2.gz HNWYQWOEZFWLMS-RBUKOAKNSA-N 2 1 302.462 2.851 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553560 426792799 /nfs/dbraw/zinc/79/27/99/426792799.db2.gz RXIJZXDKTIBQQN-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553560 426792805 /nfs/dbraw/zinc/79/28/05/426792805.db2.gz RXIJZXDKTIBQQN-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553560 426792808 /nfs/dbraw/zinc/79/28/08/426792808.db2.gz RXIJZXDKTIBQQN-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP CSc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000266913529 426794448 /nfs/dbraw/zinc/79/44/48/426794448.db2.gz WXMHQBPPEMIHPV-CQSZACIVSA-N 2 1 308.491 2.906 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2coc3ccccc23)CC1 ZINC000179515673 426796732 /nfs/dbraw/zinc/79/67/32/426796732.db2.gz SADDXSQFNDLGEH-HNNXBMFYSA-N 2 1 316.445 2.957 20 0 DFADMP OC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000309997268 426919422 /nfs/dbraw/zinc/91/94/22/426919422.db2.gz CEZQZBHNRAUVJS-OALUTQOASA-N 2 1 314.473 2.745 20 0 DFADMP OC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000309997268 426919428 /nfs/dbraw/zinc/91/94/28/426919428.db2.gz CEZQZBHNRAUVJS-OALUTQOASA-N 2 1 314.473 2.745 20 0 DFADMP OC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000309997268 426919431 /nfs/dbraw/zinc/91/94/31/426919431.db2.gz CEZQZBHNRAUVJS-OALUTQOASA-N 2 1 314.473 2.745 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000267281409 426861896 /nfs/dbraw/zinc/86/18/96/426861896.db2.gz KVJLVMDDNZZNEW-SQNIBIBYSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2([S@@](C)=O)CC2)cc1 ZINC000282260760 426864143 /nfs/dbraw/zinc/86/41/43/426864143.db2.gz JZIHLYSZNVMDCG-MCMMXHMISA-N 2 1 317.458 2.742 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2([S@](C)=O)CC2)cc1 ZINC000282260756 426864719 /nfs/dbraw/zinc/86/47/19/426864719.db2.gz JZIHLYSZNVMDCG-DMZKTXOQSA-N 2 1 317.458 2.742 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000246797799 426868311 /nfs/dbraw/zinc/86/83/11/426868311.db2.gz ADQRUICJLJALLW-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282277074 426869575 /nfs/dbraw/zinc/86/95/75/426869575.db2.gz KUVQSXOVFDPCHR-INIZCTEOSA-N 2 1 321.484 2.762 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282276552 426869660 /nfs/dbraw/zinc/86/96/60/426869660.db2.gz PCZGNRHNXLQAOX-ZDUSSCGKSA-N 2 1 304.463 2.580 20 0 DFADMP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275550632 426869970 /nfs/dbraw/zinc/86/99/70/426869970.db2.gz NIYYLJVVDPWZNG-CYBMUJFWSA-N 2 1 307.344 2.837 20 0 DFADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000246829309 426870653 /nfs/dbraw/zinc/87/06/53/426870653.db2.gz BPPPVZQABJMZJL-CLCXKQKWSA-N 2 1 320.452 2.886 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)CC[N@@H+]1C ZINC000189503747 426874022 /nfs/dbraw/zinc/87/40/22/426874022.db2.gz HKIRBFGTJILFJY-MNOVXSKESA-N 2 1 318.330 2.615 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)CC[N@H+]1C ZINC000189503747 426874026 /nfs/dbraw/zinc/87/40/26/426874026.db2.gz HKIRBFGTJILFJY-MNOVXSKESA-N 2 1 318.330 2.615 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)C(F)(F)F)CC[NH+]1C ZINC000189503747 426874028 /nfs/dbraw/zinc/87/40/28/426874028.db2.gz HKIRBFGTJILFJY-MNOVXSKESA-N 2 1 318.330 2.615 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)(F)F)CC[NH+]1C ZINC000189503747 426874032 /nfs/dbraw/zinc/87/40/32/426874032.db2.gz HKIRBFGTJILFJY-MNOVXSKESA-N 2 1 318.330 2.615 20 0 DFADMP Cc1cccc(CC[C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282313511 426878665 /nfs/dbraw/zinc/87/86/65/426878665.db2.gz NFDCRKJKBVCZMD-GOSISDBHSA-N 2 1 317.521 2.932 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291259324 426880766 /nfs/dbraw/zinc/88/07/66/426880766.db2.gz WTOGZQUNQYNMEQ-VAMGGRTRSA-N 2 1 313.489 2.644 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000291259324 426880775 /nfs/dbraw/zinc/88/07/75/426880775.db2.gz WTOGZQUNQYNMEQ-VAMGGRTRSA-N 2 1 313.489 2.644 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000282333748 426884009 /nfs/dbraw/zinc/88/40/09/426884009.db2.gz OHQUFAJLPPSBSW-ZDUSSCGKSA-N 2 1 311.420 2.641 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000305154701 426888840 /nfs/dbraw/zinc/88/88/40/426888840.db2.gz VKMIBLMFJXVAQU-VQIMIIECSA-N 2 1 312.457 2.719 20 0 DFADMP Cc1cc(N2CCC([NH2+]C3CC(OC(C)C)C3)CC2)nc(C)[nH+]1 ZINC000189560889 426890881 /nfs/dbraw/zinc/89/08/81/426890881.db2.gz BNBBITBWOIHRGH-UHFFFAOYSA-N 2 1 318.465 2.608 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000275678861 426893380 /nfs/dbraw/zinc/89/33/80/426893380.db2.gz WDLOFRGONBNBSH-LBPRGKRZSA-N 2 1 304.463 2.989 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000247066093 426897232 /nfs/dbraw/zinc/89/72/32/426897232.db2.gz PNUUTWFEFICJLL-FUHWJXTLSA-N 2 1 317.477 2.986 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000247066093 426897238 /nfs/dbraw/zinc/89/72/38/426897238.db2.gz PNUUTWFEFICJLL-FUHWJXTLSA-N 2 1 317.477 2.986 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000247066093 426897244 /nfs/dbraw/zinc/89/72/44/426897244.db2.gz PNUUTWFEFICJLL-FUHWJXTLSA-N 2 1 317.477 2.986 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000275704939 426902278 /nfs/dbraw/zinc/90/22/78/426902278.db2.gz XVZHHGGAJSNOEY-GOSISDBHSA-N 2 1 324.472 2.700 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C)O[C@H](C)C2 ZINC000317141043 426956162 /nfs/dbraw/zinc/95/61/62/426956162.db2.gz KBUXVUDXZBNOHN-CZUORRHYSA-N 2 1 306.450 2.824 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)O[C@H](C)C2 ZINC000317141043 426956169 /nfs/dbraw/zinc/95/61/69/426956169.db2.gz KBUXVUDXZBNOHN-CZUORRHYSA-N 2 1 306.450 2.824 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2c(F)cccc2F)N(C)C)CC[N@@H+]1C ZINC000247928272 426967343 /nfs/dbraw/zinc/96/73/43/426967343.db2.gz BUQNPVXKFKPLIC-XJKCOSOUSA-N 2 1 311.420 2.640 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2c(F)cccc2F)N(C)C)CC[N@H+]1C ZINC000247928272 426967348 /nfs/dbraw/zinc/96/73/48/426967348.db2.gz BUQNPVXKFKPLIC-XJKCOSOUSA-N 2 1 311.420 2.640 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000323623268 426975053 /nfs/dbraw/zinc/97/50/53/426975053.db2.gz DCDZKBSMMSABNN-FXAWDEMLSA-N 2 1 315.505 2.623 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055792 426979193 /nfs/dbraw/zinc/97/91/93/426979193.db2.gz XGYYKEZTZJBEKD-KBRIMQKVSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055792 426979198 /nfs/dbraw/zinc/97/91/98/426979198.db2.gz XGYYKEZTZJBEKD-KBRIMQKVSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055792 426979204 /nfs/dbraw/zinc/97/92/04/426979204.db2.gz XGYYKEZTZJBEKD-KBRIMQKVSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055792 426979208 /nfs/dbraw/zinc/97/92/08/426979208.db2.gz XGYYKEZTZJBEKD-KBRIMQKVSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000248055792 426979212 /nfs/dbraw/zinc/97/92/12/426979212.db2.gz XGYYKEZTZJBEKD-KBRIMQKVSA-N 2 1 308.853 2.790 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404748 426995092 /nfs/dbraw/zinc/99/50/92/426995092.db2.gz QPYJNPYVUKCFQP-UAFMIMERSA-N 2 1 316.489 2.894 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000291644179 426936509 /nfs/dbraw/zinc/93/65/09/426936509.db2.gz VYTBORUNSUZFMX-OAHLLOKOSA-N 2 1 305.466 2.598 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC000268172452 426937300 /nfs/dbraw/zinc/93/73/00/426937300.db2.gz VGXPJWCUMPPMFD-AWEZNQCLSA-N 2 1 323.506 2.614 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000328792006 426998025 /nfs/dbraw/zinc/99/80/25/426998025.db2.gz RFDTXIIOURXVFN-CABCVRRESA-N 2 1 304.438 2.728 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCO1 ZINC000276191446 427002508 /nfs/dbraw/zinc/00/25/08/427002508.db2.gz IHCQMYOMZRFFFG-JFRXWTBNSA-N 2 1 302.462 2.912 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000182144724 427018350 /nfs/dbraw/zinc/01/83/50/427018350.db2.gz ICPZAOHLRWQBEJ-MRXNPFEDSA-N 2 1 321.465 2.652 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248613623 427021395 /nfs/dbraw/zinc/02/13/95/427021395.db2.gz YIEKIMBPTZNSAJ-JYJNAYRXSA-N 2 1 323.525 2.922 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248613623 427021402 /nfs/dbraw/zinc/02/14/02/427021402.db2.gz YIEKIMBPTZNSAJ-JYJNAYRXSA-N 2 1 323.525 2.922 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccco1 ZINC000182270249 427044753 /nfs/dbraw/zinc/04/47/53/427044753.db2.gz SPRXUFCYFJDWIL-PBHICJAKSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccco1 ZINC000182270249 427044762 /nfs/dbraw/zinc/04/47/62/427044762.db2.gz SPRXUFCYFJDWIL-PBHICJAKSA-N 2 1 300.402 2.697 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CCC2)C1 ZINC000338009043 427090387 /nfs/dbraw/zinc/09/03/87/427090387.db2.gz FQGZXNMINWQAEW-HSALFYBXSA-N 2 1 314.473 2.922 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000268697900 427093370 /nfs/dbraw/zinc/09/33/70/427093370.db2.gz AJFKJJVSTQQXKH-CYBMUJFWSA-N 2 1 301.434 2.706 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)C[C@H]1C ZINC000338020301 427098737 /nfs/dbraw/zinc/09/87/37/427098737.db2.gz YAFVPZWAAMJYMJ-VNQPRFMTSA-N 2 1 307.438 2.539 20 0 DFADMP C[C@H]1CSCC[N@@H+](C/C=C/C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000190411521 427099902 /nfs/dbraw/zinc/09/99/02/427099902.db2.gz YFNVXGVTBIKNBF-ZOSBBBERSA-N 2 1 314.564 2.912 20 0 DFADMP C[C@H]1CSCC[NH+](C/C=C/C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000190411521 427099906 /nfs/dbraw/zinc/09/99/06/427099906.db2.gz YFNVXGVTBIKNBF-ZOSBBBERSA-N 2 1 314.564 2.912 20 0 DFADMP C[C@H]1CSCC[NH+](C/C=C/C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000190411521 427099912 /nfs/dbraw/zinc/09/99/12/427099912.db2.gz YFNVXGVTBIKNBF-ZOSBBBERSA-N 2 1 314.564 2.912 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cc1 ZINC000338039923 427106400 /nfs/dbraw/zinc/10/64/00/427106400.db2.gz GVPYHTCTBUACJD-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)C=Cc2c[nH]cn2)CC[N@H+]1Cc1ccccc1 ZINC000276594450 427108648 /nfs/dbraw/zinc/10/86/48/427108648.db2.gz NKKWFKAWVSVYMU-DBYORWSCSA-N 2 1 324.428 2.592 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249393476 427111061 /nfs/dbraw/zinc/11/10/61/427111061.db2.gz SFJMHRBHZYFHCR-KFWWJZLASA-N 2 1 322.415 2.934 20 0 DFADMP COC(=O)c1ccc(Cl)c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292169457 427118668 /nfs/dbraw/zinc/11/86/68/427118668.db2.gz PNKHTBUAEFVNCA-KRWDZBQOSA-N 2 1 322.836 2.654 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000268798696 427118991 /nfs/dbraw/zinc/11/89/91/427118991.db2.gz GXHUBFXKPVSOQD-CVEARBPZSA-N 2 1 317.477 2.675 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268799113 427121239 /nfs/dbraw/zinc/12/12/39/427121239.db2.gz XQUJMBWKTSCAKO-KFKAGJAMSA-N 2 1 318.461 2.989 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268799113 427121244 /nfs/dbraw/zinc/12/12/44/427121244.db2.gz XQUJMBWKTSCAKO-KFKAGJAMSA-N 2 1 318.461 2.989 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000268802784 427121527 /nfs/dbraw/zinc/12/15/27/427121527.db2.gz HXFRMGPBLKINQV-CVEARBPZSA-N 2 1 317.477 2.533 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268799201 427122529 /nfs/dbraw/zinc/12/25/29/427122529.db2.gz XVZNWRKZQRATAS-GUDVDZBRSA-N 2 1 320.452 2.990 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000268799201 427122532 /nfs/dbraw/zinc/12/25/32/427122532.db2.gz XVZNWRKZQRATAS-GUDVDZBRSA-N 2 1 320.452 2.990 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1CCC[N@@H+](CCO)CC1 ZINC000182721616 427131564 /nfs/dbraw/zinc/13/15/64/427131564.db2.gz ARJRSSJGKZRHCT-UHFFFAOYSA-N 2 1 313.445 2.610 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc(C)c2F)CC1 ZINC000296295085 427139827 /nfs/dbraw/zinc/13/98/27/427139827.db2.gz FWFNLSVFIPQPKO-UHFFFAOYSA-N 2 1 307.457 2.641 20 0 DFADMP Cc1noc(C2CCC([NH2+]CCCn3cc[nH+]c3C)CC2)n1 ZINC000292255548 427146805 /nfs/dbraw/zinc/14/68/05/427146805.db2.gz SJDVPPTZYBJBDO-UHFFFAOYSA-N 2 1 303.410 2.589 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000296341375 427152330 /nfs/dbraw/zinc/15/23/30/427152330.db2.gz HWEXIABQDYAONT-AEFFLSMTSA-N 2 1 304.478 2.895 20 0 DFADMP [NH3+]CCCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000269279650 427161800 /nfs/dbraw/zinc/16/18/00/427161800.db2.gz ZULLJFJFOGPUMQ-INIZCTEOSA-N 2 1 323.868 2.550 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338167288 427166653 /nfs/dbraw/zinc/16/66/53/427166653.db2.gz VUEKCFXELXKCMG-SFHVURJKSA-N 2 1 307.401 2.555 20 0 DFADMP Cc1cc(CNc2ccc(N3CCN(C)CC3)cn2)cs1 ZINC000296389466 427164789 /nfs/dbraw/zinc/16/47/89/427164789.db2.gz KZLJXYCIQDENGH-UHFFFAOYSA-N 2 1 302.447 2.815 20 0 DFADMP CCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000195454630 271234126 /nfs/dbraw/zinc/23/41/26/271234126.db2.gz BQSDQQKCBPQZER-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000270450622 271293981 /nfs/dbraw/zinc/29/39/81/271293981.db2.gz KWRGCBZDVLRRKP-UHFFFAOYSA-N 2 1 324.428 2.881 20 0 DFADMP CC(C)N(C)CC(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000270450622 271293985 /nfs/dbraw/zinc/29/39/85/271293985.db2.gz KWRGCBZDVLRRKP-UHFFFAOYSA-N 2 1 324.428 2.881 20 0 DFADMP Cc1cc(NC(=O)NC2CCC([NH+](C)C)CC2)cn2cc[nH+]c12 ZINC000333867643 271396825 /nfs/dbraw/zinc/39/68/25/271396825.db2.gz RIICQVXVRPGTKA-UHFFFAOYSA-N 2 1 315.421 2.637 20 0 DFADMP CN(CCC[NH2+]Cc1cnn(CC(F)F)c1)Cc1ccccc1 ZINC000293127376 427218913 /nfs/dbraw/zinc/21/89/13/427218913.db2.gz YPUFTJVLXLANHO-UHFFFAOYSA-N 2 1 322.403 2.760 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000284288141 427174225 /nfs/dbraw/zinc/17/42/25/427174225.db2.gz KCIULMSDAZVMAS-VXGBXAGGSA-N 2 1 309.841 2.879 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000284288141 427174226 /nfs/dbraw/zinc/17/42/26/427174226.db2.gz KCIULMSDAZVMAS-VXGBXAGGSA-N 2 1 309.841 2.879 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000277353298 427175290 /nfs/dbraw/zinc/17/52/90/427175290.db2.gz WUHRLABLHRVXTO-INIZCTEOSA-N 2 1 307.413 2.570 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cn1 ZINC000190754242 427176266 /nfs/dbraw/zinc/17/62/66/427176266.db2.gz BVVUNJWMNOYNMF-MRXNPFEDSA-N 2 1 302.466 2.500 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000252652487 427189648 /nfs/dbraw/zinc/18/96/48/427189648.db2.gz QREFSQKLAAAKAX-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000252652487 427189655 /nfs/dbraw/zinc/18/96/55/427189655.db2.gz QREFSQKLAAAKAX-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000252652487 427189658 /nfs/dbraw/zinc/18/96/58/427189658.db2.gz QREFSQKLAAAKAX-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000284429722 427193760 /nfs/dbraw/zinc/19/37/60/427193760.db2.gz DAJXKDKFCXXNJY-ROUUACIJSA-N 2 1 315.392 2.592 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000253351276 427199614 /nfs/dbraw/zinc/19/96/14/427199614.db2.gz IYRIMFFUHZMMKF-FFGOWVMKSA-N 2 1 316.489 2.833 20 0 DFADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000190916525 427203392 /nfs/dbraw/zinc/20/33/92/427203392.db2.gz YFYOXKMJNLLNLJ-BHIYHBOVSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000190916525 427203395 /nfs/dbraw/zinc/20/33/95/427203395.db2.gz YFYOXKMJNLLNLJ-BHIYHBOVSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000190916525 427203402 /nfs/dbraw/zinc/20/34/02/427203402.db2.gz YFYOXKMJNLLNLJ-BHIYHBOVSA-N 2 1 306.494 2.876 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000183199680 427219872 /nfs/dbraw/zinc/21/98/72/427219872.db2.gz BSAUCOLVGGGOKL-YZVOILCLSA-N 2 1 312.461 2.999 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000183199680 427219880 /nfs/dbraw/zinc/21/98/80/427219880.db2.gz BSAUCOLVGGGOKL-YZVOILCLSA-N 2 1 312.461 2.999 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183149751 427211061 /nfs/dbraw/zinc/21/10/61/427211061.db2.gz HCZLPAZYDSNBDM-ZCNNSNEGSA-N 2 1 324.472 2.773 20 0 DFADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330275783 427211921 /nfs/dbraw/zinc/21/19/21/427211921.db2.gz LZCNXPRJDUINDT-SOUVJXGZSA-N 2 1 318.465 2.767 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285402790 427221014 /nfs/dbraw/zinc/22/10/14/427221014.db2.gz FIRNKSZSXQABSQ-SJPCQFCGSA-N 2 1 315.461 2.881 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285402790 427221017 /nfs/dbraw/zinc/22/10/17/427221017.db2.gz FIRNKSZSXQABSQ-SJPCQFCGSA-N 2 1 315.461 2.881 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000338306133 427249031 /nfs/dbraw/zinc/24/90/31/427249031.db2.gz YATYXVHUPSTCOW-INIZCTEOSA-N 2 1 304.482 2.741 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000338306133 427249040 /nfs/dbraw/zinc/24/90/40/427249040.db2.gz YATYXVHUPSTCOW-INIZCTEOSA-N 2 1 304.482 2.741 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1)Cc1ccco1 ZINC000285494451 427250062 /nfs/dbraw/zinc/25/00/62/427250062.db2.gz CGYSYRMNGXEPRR-SFHVURJKSA-N 2 1 320.408 2.906 20 0 DFADMP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000296912889 427274775 /nfs/dbraw/zinc/27/47/75/427274775.db2.gz AFCJJPSRLKIDTE-IEBWSBKVSA-N 2 1 317.477 2.703 20 0 DFADMP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000296912889 427274783 /nfs/dbraw/zinc/27/47/83/427274783.db2.gz AFCJJPSRLKIDTE-IEBWSBKVSA-N 2 1 317.477 2.703 20 0 DFADMP CCn1cc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)cn1 ZINC000269907949 427304692 /nfs/dbraw/zinc/30/46/92/427304692.db2.gz ITSUXNLVYGQKEB-UHFFFAOYSA-N 2 1 301.438 2.678 20 0 DFADMP CSCc1cnc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000293402050 427314134 /nfs/dbraw/zinc/31/41/34/427314134.db2.gz YFVZHQXNGGVCCQ-LLVKDONJSA-N 2 1 308.476 2.555 20 0 DFADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](O)COc1ccccc1 ZINC000277776626 427317144 /nfs/dbraw/zinc/31/71/44/427317144.db2.gz LWKVYPLUXUHZSW-QZTJIDSGSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](O)COc1ccccc1 ZINC000277776626 427317150 /nfs/dbraw/zinc/31/71/50/427317150.db2.gz LWKVYPLUXUHZSW-QZTJIDSGSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](O)COc1ccccc1 ZINC000277776626 427317157 /nfs/dbraw/zinc/31/71/57/427317157.db2.gz LWKVYPLUXUHZSW-QZTJIDSGSA-N 2 1 320.477 2.621 20 0 DFADMP C[N@H+](Cc1ccc(Br)o1)CC1CC[NH+](C)CC1 ZINC000191323497 427319570 /nfs/dbraw/zinc/31/95/70/427319570.db2.gz UQFCWNNBTQHQKU-UHFFFAOYSA-N 2 1 301.228 2.816 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1-n1ccnn1 ZINC000285778156 427334403 /nfs/dbraw/zinc/33/44/03/427334403.db2.gz UAEUCZCGWPNYAN-QILLFSRXSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1-n1ccnn1 ZINC000285778156 427334407 /nfs/dbraw/zinc/33/44/07/427334407.db2.gz UAEUCZCGWPNYAN-QILLFSRXSA-N 2 1 311.433 2.545 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000270363844 427334956 /nfs/dbraw/zinc/33/49/56/427334956.db2.gz HNFBZLWTIDPGCG-KRWDZBQOSA-N 2 1 303.450 2.870 20 0 DFADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000285788868 427338192 /nfs/dbraw/zinc/33/81/92/427338192.db2.gz XHQUEWYVRIQBEW-HNNXBMFYSA-N 2 1 322.412 2.585 20 0 DFADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261831590 427340386 /nfs/dbraw/zinc/34/03/86/427340386.db2.gz JCTHXFYZYLGJTN-INIZCTEOSA-N 2 1 324.472 2.745 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293494362 427342879 /nfs/dbraw/zinc/34/28/79/427342879.db2.gz SDEJQHRDHBVVFR-KSSFIOAISA-N 2 1 306.425 2.977 20 0 DFADMP OCCCCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285614807 427289050 /nfs/dbraw/zinc/28/90/50/427289050.db2.gz QGZDPRHCGIHMTP-LJQANCHMSA-N 2 1 302.462 2.747 20 0 DFADMP OCCCCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285614807 427289055 /nfs/dbraw/zinc/28/90/55/427289055.db2.gz QGZDPRHCGIHMTP-LJQANCHMSA-N 2 1 302.462 2.747 20 0 DFADMP OCCCCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285614807 427289063 /nfs/dbraw/zinc/28/90/63/427289063.db2.gz QGZDPRHCGIHMTP-LJQANCHMSA-N 2 1 302.462 2.747 20 0 DFADMP COc1cccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1OC ZINC000293617426 427381265 /nfs/dbraw/zinc/38/12/65/427381265.db2.gz KLTCVTOMKYRART-GOSISDBHSA-N 2 1 304.434 2.622 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000338565896 427382621 /nfs/dbraw/zinc/38/26/21/427382621.db2.gz OMNRJMVCXZWNFU-INDMIFKZSA-N 2 1 318.461 2.558 20 0 DFADMP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338563027 427383215 /nfs/dbraw/zinc/38/32/15/427383215.db2.gz HGXCWCDKBIJTOJ-HOCLYGCPSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338563027 427383219 /nfs/dbraw/zinc/38/32/19/427383219.db2.gz HGXCWCDKBIJTOJ-HOCLYGCPSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338563027 427383223 /nfs/dbraw/zinc/38/32/23/427383223.db2.gz HGXCWCDKBIJTOJ-HOCLYGCPSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338563027 427383230 /nfs/dbraw/zinc/38/32/30/427383230.db2.gz HGXCWCDKBIJTOJ-HOCLYGCPSA-N 2 1 308.466 2.524 20 0 DFADMP CC(=O)Nc1ccccc1CN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293631213 427388115 /nfs/dbraw/zinc/38/81/15/427388115.db2.gz LKWOIOVHBFXSGW-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293631213 427388122 /nfs/dbraw/zinc/38/81/22/427388122.db2.gz LKWOIOVHBFXSGW-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293631213 427388128 /nfs/dbraw/zinc/38/81/28/427388128.db2.gz LKWOIOVHBFXSGW-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293631213 427388133 /nfs/dbraw/zinc/38/81/33/427388133.db2.gz LKWOIOVHBFXSGW-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293631213 427388137 /nfs/dbraw/zinc/38/81/37/427388137.db2.gz LKWOIOVHBFXSGW-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293644792 427393333 /nfs/dbraw/zinc/39/33/33/427393333.db2.gz MLUQLPFHSZSFEH-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293644792 427393339 /nfs/dbraw/zinc/39/33/39/427393339.db2.gz MLUQLPFHSZSFEH-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293644792 427393343 /nfs/dbraw/zinc/39/33/43/427393343.db2.gz MLUQLPFHSZSFEH-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293644792 427393349 /nfs/dbraw/zinc/39/33/49/427393349.db2.gz MLUQLPFHSZSFEH-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnccc2C)CC1 ZINC000271072557 427396091 /nfs/dbraw/zinc/39/60/91/427396091.db2.gz VZZZXARPMLZFTD-UHFFFAOYSA-N 2 1 319.493 2.960 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000191655376 427399804 /nfs/dbraw/zinc/39/98/04/427399804.db2.gz KYBJVUJHGOXVDX-HAYURNKSSA-N 2 1 302.462 2.910 20 0 DFADMP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000271136645 427413221 /nfs/dbraw/zinc/41/32/21/427413221.db2.gz NGKDDQHGYAEKQR-MAUKXSAKSA-N 2 1 302.462 2.980 20 0 DFADMP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000293711888 427413598 /nfs/dbraw/zinc/41/35/98/427413598.db2.gz MWMLCVWTXVBKQC-LSDHHAIUSA-N 2 1 313.367 2.859 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000297219123 427363971 /nfs/dbraw/zinc/36/39/71/427363971.db2.gz MOBCBHGHBCRNSF-GOSISDBHSA-N 2 1 322.412 2.644 20 0 DFADMP CCc1ccc2[nH+]ccc(N[C@@H](C)CN3CC[NH+](C)CC3)c2c1 ZINC000297224874 427365684 /nfs/dbraw/zinc/36/56/84/427365684.db2.gz SXOXIEPBKPWAQY-HNNXBMFYSA-N 2 1 312.461 2.845 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000263292931 427454484 /nfs/dbraw/zinc/45/44/84/427454484.db2.gz XDVJPBXDDARUKI-FGTMMUONSA-N 2 1 323.525 2.783 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000278797405 427454525 /nfs/dbraw/zinc/45/45/25/427454525.db2.gz QWCGQDYKNCMQRG-CDKDPZJASA-N 2 1 306.475 2.700 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000263299569 427455792 /nfs/dbraw/zinc/45/57/92/427455792.db2.gz ZAINGNUPLNSQCR-IAGOWNOFSA-N 2 1 321.509 2.761 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1NC(C)=O ZINC000293865570 427468473 /nfs/dbraw/zinc/46/84/73/427468473.db2.gz XZXDAODPSHNCNU-OLZOCXBDSA-N 2 1 307.438 2.502 20 0 DFADMP C[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C[NH+](C)C ZINC000293863072 427468924 /nfs/dbraw/zinc/46/89/24/427468924.db2.gz XVFHAKFZQDITIZ-GSEOLPGOSA-N 2 1 315.505 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C[NH+](C)C ZINC000293863072 427468931 /nfs/dbraw/zinc/46/89/31/427468931.db2.gz XVFHAKFZQDITIZ-GSEOLPGOSA-N 3 1 315.505 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C[NH+](C)C ZINC000293863072 427468938 /nfs/dbraw/zinc/46/89/38/427468938.db2.gz XVFHAKFZQDITIZ-GSEOLPGOSA-N 3 1 315.505 2.684 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000192098486 427480490 /nfs/dbraw/zinc/48/04/90/427480490.db2.gz ZASCTMYRRWGESW-KBPBESRZSA-N 2 1 314.433 2.977 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[C@H]1c1ccccc1 ZINC000338778490 427481104 /nfs/dbraw/zinc/48/11/04/427481104.db2.gz FAYHNGQEHYJLQL-UHOSZYNNSA-N 2 1 315.505 2.794 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000192098476 427481153 /nfs/dbraw/zinc/48/11/53/427481153.db2.gz ZASCTMYRRWGESW-UONOGXRCSA-N 2 1 314.433 2.977 20 0 DFADMP CC[NH+](CC)[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271283175 427482716 /nfs/dbraw/zinc/48/27/16/427482716.db2.gz OLNZFMRSGFFTHX-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CC[NH+](CC)[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271283172 427483391 /nfs/dbraw/zinc/48/33/91/427483391.db2.gz OLNZFMRSGFFTHX-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP C[N@@H+](CCNC(=O)CC1(C[NH3+])CCCCC1)Cc1ccccc1 ZINC000184228109 427420394 /nfs/dbraw/zinc/42/03/94/427420394.db2.gz ZWFNEVDROXLCTL-UHFFFAOYSA-N 2 1 317.477 2.534 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)[C@@H](C)C1 ZINC000338785127 427486967 /nfs/dbraw/zinc/48/69/67/427486967.db2.gz JMDLNFFNCCXSDA-KKUMJFAQSA-N 2 1 300.512 2.607 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278158466 427422132 /nfs/dbraw/zinc/42/21/32/427422132.db2.gz ATJZPWONMPATNF-SOLBZPMBSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278158466 427422138 /nfs/dbraw/zinc/42/21/38/427422138.db2.gz ATJZPWONMPATNF-SOLBZPMBSA-N 2 1 312.461 2.981 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N[C@@H](C)C(C)C)CC1 ZINC000191779668 427424713 /nfs/dbraw/zinc/42/47/13/427424713.db2.gz CMSRDQPHFMFURE-INIZCTEOSA-N 2 1 311.514 2.591 20 0 DFADMP CC(C)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271301147 427487024 /nfs/dbraw/zinc/48/70/24/427487024.db2.gz SIHAQDZVVLAINY-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc2n1 ZINC000297681510 427425950 /nfs/dbraw/zinc/42/59/50/427425950.db2.gz PHQPNRXTTDASRO-UHFFFAOYSA-N 2 1 311.429 2.960 20 0 DFADMP C[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000278343437 427430127 /nfs/dbraw/zinc/43/01/27/427430127.db2.gz AJZHCPWTHHANLH-KXBFYZLASA-N 2 1 320.452 2.847 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000293779565 427431469 /nfs/dbraw/zinc/43/14/69/427431469.db2.gz QBDWMIDZMICMHU-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000293779565 427431486 /nfs/dbraw/zinc/43/14/86/427431486.db2.gz QBDWMIDZMICMHU-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000293779565 427431492 /nfs/dbraw/zinc/43/14/92/427431492.db2.gz QBDWMIDZMICMHU-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000293779565 427431497 /nfs/dbraw/zinc/43/14/97/427431497.db2.gz QBDWMIDZMICMHU-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)CC[C@H]1CCC[NH+]1C ZINC000286138925 427434451 /nfs/dbraw/zinc/43/44/51/427434451.db2.gz VLNPNQFMTULMAR-MRXNPFEDSA-N 2 1 314.433 2.695 20 0 DFADMP C[N@H+](CCc1nc(-c2ccccc2)no1)CC[C@H]1CCC[NH+]1C ZINC000286138925 427434456 /nfs/dbraw/zinc/43/44/56/427434456.db2.gz VLNPNQFMTULMAR-MRXNPFEDSA-N 2 1 314.433 2.695 20 0 DFADMP C[NH+](CCc1nc(-c2ccccc2)no1)CC[C@H]1CCC[N@@H+]1C ZINC000286138925 427434459 /nfs/dbraw/zinc/43/44/59/427434459.db2.gz VLNPNQFMTULMAR-MRXNPFEDSA-N 2 1 314.433 2.695 20 0 DFADMP C[NH+](CCc1nc(-c2ccccc2)no1)CC[C@H]1CCC[N@H+]1C ZINC000286138925 427434469 /nfs/dbraw/zinc/43/44/69/427434469.db2.gz VLNPNQFMTULMAR-MRXNPFEDSA-N 2 1 314.433 2.695 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1OC ZINC000286156735 427439448 /nfs/dbraw/zinc/43/94/48/427439448.db2.gz PDHDRAYTTBDNGV-AWEZNQCLSA-N 2 1 318.461 2.795 20 0 DFADMP CC[NH+](CC)CCSCC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000293930944 427493311 /nfs/dbraw/zinc/49/33/11/427493311.db2.gz PSKVZYGKUZPSEW-UHFFFAOYSA-N 2 1 320.462 2.656 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293945705 427498354 /nfs/dbraw/zinc/49/83/54/427498354.db2.gz OPVCIQISGOOTLC-UHFFFAOYSA-N 2 1 319.449 2.571 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c(c1)NC(=O)CO2 ZINC000293945705 427498361 /nfs/dbraw/zinc/49/83/61/427498361.db2.gz OPVCIQISGOOTLC-UHFFFAOYSA-N 2 1 319.449 2.571 20 0 DFADMP Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@H]2C)c2ccccc2[nH+]1 ZINC000286391638 427513560 /nfs/dbraw/zinc/51/35/60/427513560.db2.gz PANHMFCJEWDSKU-HZPDHXFCSA-N 2 1 311.429 2.843 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2C)cc1 ZINC000263697687 427545425 /nfs/dbraw/zinc/54/54/25/427545425.db2.gz RPJLDLVNFMPDRR-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1 ZINC000263697687 427545431 /nfs/dbraw/zinc/54/54/31/427545431.db2.gz RPJLDLVNFMPDRR-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1 ZINC000263697687 427545438 /nfs/dbraw/zinc/54/54/38/427545438.db2.gz RPJLDLVNFMPDRR-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000271456831 427545608 /nfs/dbraw/zinc/54/56/08/427545608.db2.gz GWCOQPRFNKDVLN-BYCMXARLSA-N 2 1 314.832 2.832 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000271456831 427545614 /nfs/dbraw/zinc/54/56/14/427545614.db2.gz GWCOQPRFNKDVLN-BYCMXARLSA-N 2 1 314.832 2.832 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000341705067 271880554 /nfs/dbraw/zinc/88/05/54/271880554.db2.gz FWCQOBQTZXVXQI-PKOBYXMFSA-N 2 1 320.452 2.886 20 0 DFADMP C[C@H](CNC1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000298320869 427569756 /nfs/dbraw/zinc/56/97/56/427569756.db2.gz IHABJTXXFFVNKR-MRXNPFEDSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000298326912 427572066 /nfs/dbraw/zinc/57/20/66/427572066.db2.gz VIJLCLWRMXNQKE-WFASDCNBSA-N 2 1 316.367 2.813 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308280 427573731 /nfs/dbraw/zinc/57/37/31/427573731.db2.gz CVEKPHOUQDBTRH-CVEARBPZSA-N 2 1 313.449 2.650 20 0 DFADMP CC[C@](C)(COc1ncccc1Cl)[NH2+]CCc1c[nH+]cn1C ZINC000298331247 427575263 /nfs/dbraw/zinc/57/52/63/427575263.db2.gz IVKTVFWBIRFCFN-MRXNPFEDSA-N 2 1 322.840 2.848 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826978 427588645 /nfs/dbraw/zinc/58/86/45/427588645.db2.gz OUXGGCPUQUOUSA-RHSMWYFYSA-N 2 1 315.461 2.731 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826980 427589756 /nfs/dbraw/zinc/58/97/56/427589756.db2.gz OUXGGCPUQUOUSA-WMLDXEAASA-N 2 1 315.461 2.731 20 0 DFADMP COc1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc(OC)c1O ZINC000263858590 427592900 /nfs/dbraw/zinc/59/29/00/427592900.db2.gz UUXDOPADQSIJMF-UHFFFAOYSA-N 2 1 322.449 2.621 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298507439 427631300 /nfs/dbraw/zinc/63/13/00/427631300.db2.gz QSGQSXDCUXSPCD-HXUWFJFHSA-N 2 1 313.489 2.867 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921363 427634251 /nfs/dbraw/zinc/63/42/51/427634251.db2.gz ZNQLFWZCYAKVGK-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921363 427634257 /nfs/dbraw/zinc/63/42/57/427634257.db2.gz ZNQLFWZCYAKVGK-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921363 427634264 /nfs/dbraw/zinc/63/42/64/427634264.db2.gz ZNQLFWZCYAKVGK-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921363 427634273 /nfs/dbraw/zinc/63/42/73/427634273.db2.gz ZNQLFWZCYAKVGK-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921363 427634287 /nfs/dbraw/zinc/63/42/87/427634287.db2.gz ZNQLFWZCYAKVGK-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921363 427634292 /nfs/dbraw/zinc/63/42/92/427634292.db2.gz ZNQLFWZCYAKVGK-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP c1nn2ccccc2c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192928248 427636462 /nfs/dbraw/zinc/63/64/62/427636462.db2.gz LAWSXPSMKKPDFU-GOSISDBHSA-N 2 1 320.440 2.946 20 0 DFADMP OCCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000192933365 427639475 /nfs/dbraw/zinc/63/94/75/427639475.db2.gz FJDCMLFLZMBWCJ-UHFFFAOYSA-N 2 1 308.441 2.585 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccsc3)no1)CC[NH2+]CC2 ZINC000333556304 427647314 /nfs/dbraw/zinc/64/73/14/427647314.db2.gz KGQHYMZIJRPFQP-GFCCVEGCSA-N 2 1 318.446 2.762 20 0 DFADMP CC(C)[C@@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCC1 ZINC000298558836 427648927 /nfs/dbraw/zinc/64/89/27/427648927.db2.gz VRCBKFDJLVLOLJ-LJQANCHMSA-N 3 1 316.493 2.760 20 0 DFADMP CCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272146957 427649554 /nfs/dbraw/zinc/64/95/54/427649554.db2.gz CMACAWYQOZICSQ-APWZRJJASA-N 2 1 312.461 2.903 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298557672 427649768 /nfs/dbraw/zinc/64/97/68/427649768.db2.gz VOZFZGZRWKOTRD-UHFFFAOYSA-N 2 1 315.461 2.543 20 0 DFADMP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065912 427657429 /nfs/dbraw/zinc/65/74/29/427657429.db2.gz DSORNKDAJMCRQE-HKUYNNGSSA-N 2 1 310.445 2.631 20 0 DFADMP c1cc2c(cc1CCC[NH2+]C1CC[NH+](C3CC3)CC1)OCCO2 ZINC000342425337 272010477 /nfs/dbraw/zinc/01/04/77/272010477.db2.gz FAOOTMBATGKIMT-UHFFFAOYSA-N 2 1 316.445 2.607 20 0 DFADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@H]2CCC2(C)C)c1 ZINC000342719173 272046097 /nfs/dbraw/zinc/04/60/97/272046097.db2.gz AHZSVWNTFVKSBX-SFHVURJKSA-N 2 1 320.477 2.922 20 0 DFADMP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000342722023 272046454 /nfs/dbraw/zinc/04/64/54/272046454.db2.gz DJSRWCQQDCTQGC-UIDNRLJLSA-N 2 1 302.462 2.648 20 0 DFADMP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000342722023 272046455 /nfs/dbraw/zinc/04/64/55/272046455.db2.gz DJSRWCQQDCTQGC-UIDNRLJLSA-N 2 1 302.462 2.648 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342777647 272053085 /nfs/dbraw/zinc/05/30/85/272053085.db2.gz HXDCTGVZAXDSBH-HNNXBMFYSA-N 2 1 304.482 2.938 20 0 DFADMP Cc1cc(N(C)C[C@@H]2OCC[N@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000343321959 272118368 /nfs/dbraw/zinc/11/83/68/272118368.db2.gz PBQLLAHEYCIXMA-OALUTQOASA-N 2 1 311.429 2.898 20 0 DFADMP Cc1cc(N(C)C[C@@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000343321959 272118369 /nfs/dbraw/zinc/11/83/69/272118369.db2.gz PBQLLAHEYCIXMA-OALUTQOASA-N 2 1 311.429 2.898 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(=O)N1CCCC1 ZINC000343509540 272162919 /nfs/dbraw/zinc/16/29/19/272162919.db2.gz RKUXMQXUCHQMEQ-BQFCYCMXSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000343558277 272169720 /nfs/dbraw/zinc/16/97/20/272169720.db2.gz UZFQQPSSHVOBEO-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000343558277 272169721 /nfs/dbraw/zinc/16/97/21/272169721.db2.gz UZFQQPSSHVOBEO-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000343558277 272169723 /nfs/dbraw/zinc/16/97/23/272169723.db2.gz UZFQQPSSHVOBEO-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000343558277 272169724 /nfs/dbraw/zinc/16/97/24/272169724.db2.gz UZFQQPSSHVOBEO-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2(OC)CCC2)[C@H](C)C1 ZINC000339096383 427675039 /nfs/dbraw/zinc/67/50/39/427675039.db2.gz MITGMCBSHXVLRU-SJORKVTESA-N 2 1 312.498 2.672 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000343570495 272173592 /nfs/dbraw/zinc/17/35/92/272173592.db2.gz NQEMRJVHGBYACM-ZDUSSCGKSA-N 2 1 302.447 2.637 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000343570495 272173593 /nfs/dbraw/zinc/17/35/93/272173593.db2.gz NQEMRJVHGBYACM-ZDUSSCGKSA-N 2 1 302.447 2.637 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343609175 272182731 /nfs/dbraw/zinc/18/27/31/272182731.db2.gz GMZROOCGYUIWGV-HUUCEWRRSA-N 2 1 314.458 2.922 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343609175 272182734 /nfs/dbraw/zinc/18/27/34/272182734.db2.gz GMZROOCGYUIWGV-HUUCEWRRSA-N 2 1 314.458 2.922 20 0 DFADMP COC(=O)[C@@H]1CCCC[C@@]1(C)[NH2+]CCCCn1cc[nH+]c1C ZINC000343625660 272187610 /nfs/dbraw/zinc/18/76/10/272187610.db2.gz KVSQGUDBSPEBEK-DOTOQJQBSA-N 2 1 307.438 2.683 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343632388 272189481 /nfs/dbraw/zinc/18/94/81/272189481.db2.gz RYPORHSVIBKIQH-UONOGXRCSA-N 2 1 314.458 2.922 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343632388 272189483 /nfs/dbraw/zinc/18/94/83/272189483.db2.gz RYPORHSVIBKIQH-UONOGXRCSA-N 2 1 314.458 2.922 20 0 DFADMP C[C@@H]([NH2+]CC1=CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218239 427676185 /nfs/dbraw/zinc/67/61/85/427676185.db2.gz RMJYHPVYMQDUOI-VQIMIIECSA-N 2 1 300.446 2.833 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000343641144 272191049 /nfs/dbraw/zinc/19/10/49/272191049.db2.gz NXUQHLQVBQUJLU-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000343641144 272191050 /nfs/dbraw/zinc/19/10/50/272191050.db2.gz NXUQHLQVBQUJLU-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000343641144 272191051 /nfs/dbraw/zinc/19/10/51/272191051.db2.gz NXUQHLQVBQUJLU-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000343655861 272194570 /nfs/dbraw/zinc/19/45/70/272194570.db2.gz IPJVUJOWBZQYCJ-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000343655861 272194572 /nfs/dbraw/zinc/19/45/72/272194572.db2.gz IPJVUJOWBZQYCJ-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000343655861 272194575 /nfs/dbraw/zinc/19/45/75/272194575.db2.gz IPJVUJOWBZQYCJ-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000343720489 272207595 /nfs/dbraw/zinc/20/75/95/272207595.db2.gz VFRVHNIEIONIPF-SQNIBIBYSA-N 2 1 307.526 2.913 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCc2ccc(Cl)cc21 ZINC000343752778 272211743 /nfs/dbraw/zinc/21/17/43/272211743.db2.gz RURAXWKFWMQQDH-GOSISDBHSA-N 2 1 321.896 2.897 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000343820929 272226229 /nfs/dbraw/zinc/22/62/29/272226229.db2.gz IGHVDZRAAGOKEH-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000343820929 272226232 /nfs/dbraw/zinc/22/62/32/272226232.db2.gz IGHVDZRAAGOKEH-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000343974006 272245851 /nfs/dbraw/zinc/24/58/51/272245851.db2.gz IDBDLSZYBLVYDA-XLIONFOSSA-N 2 1 310.441 2.974 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000343974006 272245853 /nfs/dbraw/zinc/24/58/53/272245853.db2.gz IDBDLSZYBLVYDA-XLIONFOSSA-N 2 1 310.441 2.974 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000344068977 272255910 /nfs/dbraw/zinc/25/59/10/272255910.db2.gz SIWHQVDGOCESIA-HNNXBMFYSA-N 2 1 315.417 2.643 20 0 DFADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000344070463 272256655 /nfs/dbraw/zinc/25/66/55/272256655.db2.gz SMUYZBZXZMCGJD-ZHCJQAHYSA-N 2 1 312.498 2.525 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344112582 272265670 /nfs/dbraw/zinc/26/56/70/272265670.db2.gz VBFOWBYRLBFBBO-IEBWSBKVSA-N 2 1 320.452 2.886 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000344248414 272296513 /nfs/dbraw/zinc/29/65/13/272296513.db2.gz LDFCBJQUYJOXDY-UIBIWLFHSA-N 2 1 318.465 2.510 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)[C@@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000344291083 272306271 /nfs/dbraw/zinc/30/62/71/272306271.db2.gz HZOHDQIEQUBGKN-QZTJIDSGSA-N 2 1 303.450 2.716 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)[C@@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000344291083 272306274 /nfs/dbraw/zinc/30/62/74/272306274.db2.gz HZOHDQIEQUBGKN-QZTJIDSGSA-N 2 1 303.450 2.716 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344374054 272323664 /nfs/dbraw/zinc/32/36/64/272323664.db2.gz SXVSXBSKAOWXLJ-JTDSTZFVSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[N@H+]1C ZINC000344633273 272349965 /nfs/dbraw/zinc/34/99/65/272349965.db2.gz RHTLTDGXRAETLC-TZMCWYRMSA-N 2 1 302.397 2.788 20 0 DFADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185668509 427689674 /nfs/dbraw/zinc/68/96/74/427689674.db2.gz WOIFIDRJMGRWGI-LSDHHAIUSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000185668509 427689679 /nfs/dbraw/zinc/68/96/79/427689679.db2.gz WOIFIDRJMGRWGI-LSDHHAIUSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272278112 427696536 /nfs/dbraw/zinc/69/65/36/427696536.db2.gz CMJONURMUSGRDS-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272278112 427696541 /nfs/dbraw/zinc/69/65/41/427696541.db2.gz CMJONURMUSGRDS-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272278112 427696554 /nfs/dbraw/zinc/69/65/54/427696554.db2.gz CMJONURMUSGRDS-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272283094 427696664 /nfs/dbraw/zinc/69/66/64/427696664.db2.gz AMLOFAQGUZGXGR-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C12CCOCC2 ZINC000333854561 427699710 /nfs/dbraw/zinc/69/97/10/427699710.db2.gz QQARBIBRVMTWSV-XWTMOSNGSA-N 2 1 316.445 2.695 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCCC[N@@H+]3C[C@@H]2C)c1C ZINC000336857952 427763340 /nfs/dbraw/zinc/76/33/40/427763340.db2.gz WEYWERKWBOKLRT-HOCLYGCPSA-N 2 1 303.450 2.766 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCCC[N@H+]3C[C@@H]2C)c1C ZINC000336857952 427763343 /nfs/dbraw/zinc/76/33/43/427763343.db2.gz WEYWERKWBOKLRT-HOCLYGCPSA-N 2 1 303.450 2.766 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)OCCO2 ZINC000336858277 427763567 /nfs/dbraw/zinc/76/35/67/427763567.db2.gz XXYRCAZDYSDSFX-UHFFFAOYSA-N 2 1 304.434 2.766 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)OCCO2 ZINC000336858277 427763568 /nfs/dbraw/zinc/76/35/68/427763568.db2.gz XXYRCAZDYSDSFX-UHFFFAOYSA-N 2 1 304.434 2.766 20 0 DFADMP CC[C@H](C(=O)NCC[N@H+](C)[C@@H](C)CC)[NH+](C)Cc1ccccc1 ZINC000339418239 427770782 /nfs/dbraw/zinc/77/07/82/427770782.db2.gz BNTRPGLJHYDFSC-FUHWJXTLSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C(=O)NCC[NH+](C)[C@@H](C)CC)[N@H+](C)Cc1ccccc1 ZINC000339418239 427770786 /nfs/dbraw/zinc/77/07/86/427770786.db2.gz BNTRPGLJHYDFSC-FUHWJXTLSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C(=O)NCC[NH+](C)[C@@H](C)CC)[N@@H+](C)Cc1ccccc1 ZINC000339418239 427770790 /nfs/dbraw/zinc/77/07/90/427770790.db2.gz BNTRPGLJHYDFSC-FUHWJXTLSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)(C)O ZINC000339544761 427791152 /nfs/dbraw/zinc/79/11/52/427791152.db2.gz VWZMBLNOVWHUMG-CQSZACIVSA-N 2 1 311.495 2.549 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339433331 427774465 /nfs/dbraw/zinc/77/44/65/427774465.db2.gz OAFQHMOWGXWGJD-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000339433331 427774467 /nfs/dbraw/zinc/77/44/67/427774467.db2.gz OAFQHMOWGXWGJD-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nc(C)[nH+]1 ZINC000301319801 427788784 /nfs/dbraw/zinc/78/87/84/427788784.db2.gz RHNPQHYARSRGPE-GUYCJALGSA-N 2 1 311.433 2.811 20 0 DFADMP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc(C)[nH+]1 ZINC000301319801 427788786 /nfs/dbraw/zinc/78/87/86/427788786.db2.gz RHNPQHYARSRGPE-GUYCJALGSA-N 2 1 311.433 2.811 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000339195282 427725802 /nfs/dbraw/zinc/72/58/02/427725802.db2.gz STDWFPRUERMIQS-SFHVURJKSA-N 2 1 324.509 2.935 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194026029 427726892 /nfs/dbraw/zinc/72/68/92/427726892.db2.gz QHLYWRRRKYQYJN-PQEBFOHHSA-N 2 1 303.450 2.765 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657504 427746361 /nfs/dbraw/zinc/74/63/61/427746361.db2.gz SAAGRGNFMNHMDF-OWLYRPNTSA-N 2 1 302.462 2.646 20 0 DFADMP CC(C)(O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000336655136 427746439 /nfs/dbraw/zinc/74/64/39/427746439.db2.gz GANCHMXLEDUBPQ-UHFFFAOYSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+]1C[C@H]2CN(Cc3cccn3Cc3cccs3)C[C@H]2C1 ZINC000194542415 427747225 /nfs/dbraw/zinc/74/72/25/427747225.db2.gz GDBPXXXLCUMOEN-GASCZTMLSA-N 2 1 301.459 2.591 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000339278726 427749147 /nfs/dbraw/zinc/74/91/47/427749147.db2.gz BANAIIYTKBMDHS-LUKYLMHMSA-N 2 1 310.482 2.961 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000339278726 427749151 /nfs/dbraw/zinc/74/91/51/427749151.db2.gz BANAIIYTKBMDHS-LUKYLMHMSA-N 2 1 310.482 2.961 20 0 DFADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713824 427749363 /nfs/dbraw/zinc/74/93/63/427749363.db2.gz NRZVKIUZBOWVJX-VQTJNVASSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713824 427749365 /nfs/dbraw/zinc/74/93/65/427749365.db2.gz NRZVKIUZBOWVJX-VQTJNVASSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713824 427749368 /nfs/dbraw/zinc/74/93/68/427749368.db2.gz NRZVKIUZBOWVJX-VQTJNVASSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000336713542 427749510 /nfs/dbraw/zinc/74/95/10/427749510.db2.gz NCESFFQVACBYLY-AQNXPRMDSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000336713542 427749514 /nfs/dbraw/zinc/74/95/14/427749514.db2.gz NCESFFQVACBYLY-AQNXPRMDSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000336713542 427749516 /nfs/dbraw/zinc/74/95/16/427749516.db2.gz NCESFFQVACBYLY-AQNXPRMDSA-N 2 1 314.473 2.867 20 0 DFADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000301540713 427803420 /nfs/dbraw/zinc/80/34/20/427803420.db2.gz JVKKSLSVQWKAIG-AWEZNQCLSA-N 2 1 315.392 2.532 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000339682091 427811463 /nfs/dbraw/zinc/81/14/63/427811463.db2.gz OKWHOVGNXRPDRH-IJEWVQPXSA-N 2 1 324.490 2.614 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000339682091 427811469 /nfs/dbraw/zinc/81/14/69/427811469.db2.gz OKWHOVGNXRPDRH-IJEWVQPXSA-N 2 1 324.490 2.614 20 0 DFADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000339682223 427811536 /nfs/dbraw/zinc/81/15/36/427811536.db2.gz QQRCQUDKFNAXDM-OAHLLOKOSA-N 2 1 324.490 2.617 20 0 DFADMP C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337206774 427815141 /nfs/dbraw/zinc/81/51/41/427815141.db2.gz NEKIEEVUHGPHOK-OBJOEFQTSA-N 2 1 308.388 2.542 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]2Cc2ccccc2)CC1 ZINC000337257675 427825924 /nfs/dbraw/zinc/82/59/24/427825924.db2.gz UKSDCDGRMYEWPS-FQEVSTJZSA-N 2 1 315.505 2.720 20 0 DFADMP CCCc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c2ccccc2[nH+]1 ZINC000301803330 427826168 /nfs/dbraw/zinc/82/61/68/427826168.db2.gz UGURNIXEJBGQLG-MOPGFXCFSA-N 2 1 311.429 2.707 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc(NCC2CC2)ncn1 ZINC000301840284 427828561 /nfs/dbraw/zinc/82/85/61/427828561.db2.gz XZVXHCVDHNKHMY-HNNXBMFYSA-N 2 1 303.454 2.609 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNc1cc(NCC2CC2)ncn1 ZINC000301842394 427828739 /nfs/dbraw/zinc/82/87/39/427828739.db2.gz ZVPKXEVUTHUSMZ-CQSZACIVSA-N 2 1 303.454 2.975 20 0 DFADMP CN1CC[NH+](CC2(C)CCN(c3cc[nH+]cc3Cl)CC2)CC1 ZINC000355680673 427845476 /nfs/dbraw/zinc/84/54/76/427845476.db2.gz YJGLEUWDXQCSIO-UHFFFAOYSA-N 2 1 322.884 2.589 20 0 DFADMP Cc1cc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)on1 ZINC000337335604 427849930 /nfs/dbraw/zinc/84/99/30/427849930.db2.gz LZCNQSJVPYSPSY-KRWDZBQOSA-N 2 1 320.481 2.536 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000340453460 427852871 /nfs/dbraw/zinc/85/28/71/427852871.db2.gz HNLOOEGBLVYMLN-ZDUSSCGKSA-N 2 1 302.397 2.756 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@]1(C)CCCO1 ZINC000340463076 427853928 /nfs/dbraw/zinc/85/39/28/427853928.db2.gz ATBQPQVCGVPXHJ-VQIMIIECSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@]1(C)CCCO1 ZINC000340463076 427853933 /nfs/dbraw/zinc/85/39/33/427853933.db2.gz ATBQPQVCGVPXHJ-VQIMIIECSA-N 2 1 302.462 2.982 20 0 DFADMP CCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000359469207 427864352 /nfs/dbraw/zinc/86/43/52/427864352.db2.gz AKDHXNOWQSJMEI-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345726982 427878070 /nfs/dbraw/zinc/87/80/70/427878070.db2.gz ZEDOKCQDJIEDGR-NUJGCVRESA-N 2 1 309.498 2.665 20 0 DFADMP C[C@H](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000345758220 427891102 /nfs/dbraw/zinc/89/11/02/427891102.db2.gz XLWQXRYOEXMOHY-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000359532137 427895436 /nfs/dbraw/zinc/89/54/36/427895436.db2.gz MPPJQROMLQFVMN-AWEZNQCLSA-N 2 1 305.422 2.569 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000359532137 427895441 /nfs/dbraw/zinc/89/54/41/427895441.db2.gz MPPJQROMLQFVMN-AWEZNQCLSA-N 2 1 305.422 2.569 20 0 DFADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345808563 427916169 /nfs/dbraw/zinc/91/61/69/427916169.db2.gz RHEFKGHYQQYUAU-SJLPKXTDSA-N 2 1 319.493 2.599 20 0 DFADMP COC(=O)[C@H](C1CC1)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000359589649 427923596 /nfs/dbraw/zinc/92/35/96/427923596.db2.gz HLKLTOGYYOCABT-VYDXJSESSA-N 2 1 308.466 2.524 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000345933220 427957819 /nfs/dbraw/zinc/95/78/19/427957819.db2.gz AKMAYIVNJGXKMS-ULQDDVLXSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000345933220 427957827 /nfs/dbraw/zinc/95/78/27/427957827.db2.gz AKMAYIVNJGXKMS-ULQDDVLXSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000345933220 427957831 /nfs/dbraw/zinc/95/78/31/427957831.db2.gz AKMAYIVNJGXKMS-ULQDDVLXSA-N 2 1 321.509 2.582 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340228538 427961061 /nfs/dbraw/zinc/96/10/61/427961061.db2.gz JZEXVYXVZUZQJU-RTBURBONSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340228538 427961067 /nfs/dbraw/zinc/96/10/67/427961067.db2.gz JZEXVYXVZUZQJU-RTBURBONSA-N 3 1 301.478 2.753 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340245400 427964832 /nfs/dbraw/zinc/96/48/32/427964832.db2.gz ALMBLJZHHDTHJN-QSPRXWTASA-N 2 1 308.491 2.524 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340245400 427964834 /nfs/dbraw/zinc/96/48/34/427964834.db2.gz ALMBLJZHHDTHJN-QSPRXWTASA-N 2 1 308.491 2.524 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000359678974 427968268 /nfs/dbraw/zinc/96/82/68/427968268.db2.gz OSNACBRMAHPODI-QFBILLFUSA-N 3 1 301.478 2.712 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000359678974 427968274 /nfs/dbraw/zinc/96/82/74/427968274.db2.gz OSNACBRMAHPODI-QFBILLFUSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@H]1[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCCN1Cc1ccccc1 ZINC000340314542 427984095 /nfs/dbraw/zinc/98/40/95/427984095.db2.gz DVJCMEYLKCNNAL-PXNSSMCTSA-N 2 1 313.489 2.891 20 0 DFADMP COCCOc1cccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000369541700 427994180 /nfs/dbraw/zinc/99/41/80/427994180.db2.gz PPSFKRICFHMJRF-UHFFFAOYSA-N 2 1 318.461 2.818 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2ccn(C)n2)CC1)CC1CC1 ZINC000355885888 427936243 /nfs/dbraw/zinc/93/62/43/427936243.db2.gz BTFFJEBDZSMVIR-UHFFFAOYSA-N 2 1 304.482 2.754 20 0 DFADMP C[C@H](CCCC(F)(F)F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000359631700 427944702 /nfs/dbraw/zinc/94/47/02/427944702.db2.gz AYQIOUPEJZEMMB-CQSZACIVSA-N 2 1 323.447 2.971 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@H]2CC[NH+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175495 427945235 /nfs/dbraw/zinc/94/52/35/427945235.db2.gz LDADMSDUDJXNRP-KPFFTGBYSA-N 3 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175495 427945246 /nfs/dbraw/zinc/94/52/46/427945246.db2.gz LDADMSDUDJXNRP-KPFFTGBYSA-N 2 1 313.489 2.896 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175495 427945250 /nfs/dbraw/zinc/94/52/50/427945250.db2.gz LDADMSDUDJXNRP-KPFFTGBYSA-N 2 1 313.489 2.896 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175495 427945257 /nfs/dbraw/zinc/94/52/57/427945257.db2.gz LDADMSDUDJXNRP-KPFFTGBYSA-N 2 1 313.489 2.896 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@H]2CC[NH+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175494 427945425 /nfs/dbraw/zinc/94/54/25/427945425.db2.gz LDADMSDUDJXNRP-IMFGXOCKSA-N 3 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175494 427945435 /nfs/dbraw/zinc/94/54/35/427945435.db2.gz LDADMSDUDJXNRP-IMFGXOCKSA-N 2 1 313.489 2.896 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175494 427945439 /nfs/dbraw/zinc/94/54/39/427945439.db2.gz LDADMSDUDJXNRP-IMFGXOCKSA-N 2 1 313.489 2.896 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175494 427945446 /nfs/dbraw/zinc/94/54/46/427945446.db2.gz LDADMSDUDJXNRP-IMFGXOCKSA-N 2 1 313.489 2.896 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000359641221 427949441 /nfs/dbraw/zinc/94/94/41/427949441.db2.gz MVQXSNUGZQDNRG-HKUYNNGSSA-N 2 1 318.509 2.612 20 0 DFADMP CC(C)[N@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000359641221 427949445 /nfs/dbraw/zinc/94/94/45/427949445.db2.gz MVQXSNUGZQDNRG-HKUYNNGSSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000359641221 427949450 /nfs/dbraw/zinc/94/94/50/427949450.db2.gz MVQXSNUGZQDNRG-HKUYNNGSSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000359641221 427949455 /nfs/dbraw/zinc/94/94/55/427949455.db2.gz MVQXSNUGZQDNRG-HKUYNNGSSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000359641221 427949461 /nfs/dbraw/zinc/94/94/61/427949461.db2.gz MVQXSNUGZQDNRG-HKUYNNGSSA-N 3 1 318.509 2.612 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@@H]1C ZINC000345917063 427949695 /nfs/dbraw/zinc/94/96/95/427949695.db2.gz JXQUGTRUNHELMV-SJORKVTESA-N 2 1 311.514 2.830 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914158 427951284 /nfs/dbraw/zinc/95/12/84/427951284.db2.gz LVBQHLAJPDFFTL-HZPDHXFCSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914158 427951289 /nfs/dbraw/zinc/95/12/89/427951289.db2.gz LVBQHLAJPDFFTL-HZPDHXFCSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914158 427951294 /nfs/dbraw/zinc/95/12/94/427951294.db2.gz LVBQHLAJPDFFTL-HZPDHXFCSA-N 2 1 317.481 2.667 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000346107089 428022532 /nfs/dbraw/zinc/02/25/32/428022532.db2.gz UREQOABRFTWHNA-CVEARBPZSA-N 2 1 320.506 2.637 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000346107089 428022535 /nfs/dbraw/zinc/02/25/35/428022535.db2.gz UREQOABRFTWHNA-CVEARBPZSA-N 2 1 320.506 2.637 20 0 DFADMP COc1ccc(OC)c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000376966181 428033035 /nfs/dbraw/zinc/03/30/35/428033035.db2.gz FCFDMGXBIRJPOI-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000376966181 428033038 /nfs/dbraw/zinc/03/30/38/428033038.db2.gz FCFDMGXBIRJPOI-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP CC[NH+]1CCC([N@H+](C)Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346144343 428036816 /nfs/dbraw/zinc/03/68/16/428036816.db2.gz FHZQJARJURRESJ-UHFFFAOYSA-N 2 1 304.463 2.850 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346144343 428036827 /nfs/dbraw/zinc/03/68/27/428036827.db2.gz FHZQJARJURRESJ-UHFFFAOYSA-N 2 1 304.463 2.850 20 0 DFADMP FC(F)COc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000369690744 428037790 /nfs/dbraw/zinc/03/77/90/428037790.db2.gz XFZRODLHYZBLLI-ZDUSSCGKSA-N 2 1 307.344 2.632 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN3CCCO[C@@H](C)C3)sc2C1 ZINC000346148245 428038211 /nfs/dbraw/zinc/03/82/11/428038211.db2.gz KARMFONEXSNOGW-ZDUSSCGKSA-N 2 1 309.479 2.520 20 0 DFADMP CC(C)N1CCc2nc(CN3CCCO[C@@H](C)C3)sc2C1 ZINC000346148245 428038214 /nfs/dbraw/zinc/03/82/14/428038214.db2.gz KARMFONEXSNOGW-ZDUSSCGKSA-N 2 1 309.479 2.520 20 0 DFADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000359850523 428046854 /nfs/dbraw/zinc/04/68/54/428046854.db2.gz AUHNPRRQXGMPGH-LPHOPBHVSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@H]1C[NH+]2CCCC[C@H]2CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000359850523 428046858 /nfs/dbraw/zinc/04/68/58/428046858.db2.gz AUHNPRRQXGMPGH-LPHOPBHVSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@H]1C[NH+]2CCCC[C@H]2CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000359850523 428046862 /nfs/dbraw/zinc/04/68/62/428046862.db2.gz AUHNPRRQXGMPGH-LPHOPBHVSA-N 2 1 319.468 2.816 20 0 DFADMP FC(F)(F)c1ncc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000377057843 428047977 /nfs/dbraw/zinc/04/79/77/428047977.db2.gz SYIHXKSWAKAGFD-UWVGGRQHSA-N 2 1 305.369 2.878 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCO1 ZINC000359864196 428050361 /nfs/dbraw/zinc/05/03/61/428050361.db2.gz AUYVWWHSBBVSTB-FVVUREQNSA-N 2 1 324.509 2.671 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377093178 428054248 /nfs/dbraw/zinc/05/42/48/428054248.db2.gz JOWQHELUSCFFJM-IEBWSBKVSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@H]1CCCSC1 ZINC000376826076 428006581 /nfs/dbraw/zinc/00/65/81/428006581.db2.gz NPEOFPYNWGFZSX-QZWWFDLISA-N 2 1 312.523 2.609 20 0 DFADMP Cn1c(CC[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000369618496 428017858 /nfs/dbraw/zinc/01/78/58/428017858.db2.gz VLZXTNWMRPKBFM-HNNXBMFYSA-N 2 1 323.444 2.507 20 0 DFADMP Cn1c(CC[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000369618496 428017863 /nfs/dbraw/zinc/01/78/63/428017863.db2.gz VLZXTNWMRPKBFM-HNNXBMFYSA-N 2 1 323.444 2.507 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCO)Cc1ccccc1 ZINC000346226664 428082672 /nfs/dbraw/zinc/08/26/72/428082672.db2.gz XUNUGLSIEDTETO-UHFFFAOYSA-N 2 1 322.412 2.570 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCO)Cc1ccccc1 ZINC000346226664 428082674 /nfs/dbraw/zinc/08/26/74/428082674.db2.gz XUNUGLSIEDTETO-UHFFFAOYSA-N 2 1 322.412 2.570 20 0 DFADMP COc1cc(C)c([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000369913860 428087810 /nfs/dbraw/zinc/08/78/10/428087810.db2.gz SWQVHSNKPMLBAU-YESZJQIVSA-N 2 1 318.461 2.826 20 0 DFADMP COc1cc(C)c([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000369913860 428087822 /nfs/dbraw/zinc/08/78/22/428087822.db2.gz SWQVHSNKPMLBAU-YESZJQIVSA-N 2 1 318.461 2.826 20 0 DFADMP CC(C)C[N@@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000369928188 428090659 /nfs/dbraw/zinc/09/06/59/428090659.db2.gz UCCNYGWLVZQOGR-UHFFFAOYSA-N 2 1 320.481 2.587 20 0 DFADMP CC(C)C[N@H+]1CCCN(C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000369928188 428090665 /nfs/dbraw/zinc/09/06/65/428090665.db2.gz UCCNYGWLVZQOGR-UHFFFAOYSA-N 2 1 320.481 2.587 20 0 DFADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000360000371 428110869 /nfs/dbraw/zinc/11/08/69/428110869.db2.gz RRIXJRWSKWSYLH-HRCADAONSA-N 2 1 300.512 2.609 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000370017837 428111514 /nfs/dbraw/zinc/11/15/14/428111514.db2.gz KYNJIHCJTCYRAH-NVXWUHKLSA-N 2 1 301.434 2.561 20 0 DFADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C2 ZINC000377358321 428113731 /nfs/dbraw/zinc/11/37/31/428113731.db2.gz NCVYLYLYVCSZKI-DZJYIKFMSA-N 2 1 313.489 2.894 20 0 DFADMP C[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC000377358321 428113737 /nfs/dbraw/zinc/11/37/37/428113737.db2.gz NCVYLYLYVCSZKI-DZJYIKFMSA-N 3 1 313.489 2.894 20 0 DFADMP C[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC000377358321 428113741 /nfs/dbraw/zinc/11/37/41/428113741.db2.gz NCVYLYLYVCSZKI-DZJYIKFMSA-N 3 1 313.489 2.894 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360015791 428116818 /nfs/dbraw/zinc/11/68/18/428116818.db2.gz JOPGUIRNCTVFFX-QGZVFWFLSA-N 2 1 318.461 2.664 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360015791 428116822 /nfs/dbraw/zinc/11/68/22/428116822.db2.gz JOPGUIRNCTVFFX-QGZVFWFLSA-N 2 1 318.461 2.664 20 0 DFADMP C[N@H+](CCc1ccc2c(c1)OCCO2)CC[C@@H]1CCCC[NH+]1C ZINC000360027361 428121909 /nfs/dbraw/zinc/12/19/09/428121909.db2.gz IIYPDJZUVUSOGV-KRWDZBQOSA-N 2 1 318.461 2.807 20 0 DFADMP C[NH+](CCc1ccc2c(c1)OCCO2)CC[C@@H]1CCCC[N@@H+]1C ZINC000360027361 428121913 /nfs/dbraw/zinc/12/19/13/428121913.db2.gz IIYPDJZUVUSOGV-KRWDZBQOSA-N 2 1 318.461 2.807 20 0 DFADMP C[NH+](CCc1ccc2c(c1)OCCO2)CC[C@@H]1CCCC[N@H+]1C ZINC000360027361 428121918 /nfs/dbraw/zinc/12/19/18/428121918.db2.gz IIYPDJZUVUSOGV-KRWDZBQOSA-N 2 1 318.461 2.807 20 0 DFADMP CC(C)(O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000370056814 428123024 /nfs/dbraw/zinc/12/30/24/428123024.db2.gz SLUSTDWZBSKYCR-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370056814 428123027 /nfs/dbraw/zinc/12/30/27/428123027.db2.gz SLUSTDWZBSKYCR-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370056814 428123033 /nfs/dbraw/zinc/12/30/33/428123033.db2.gz SLUSTDWZBSKYCR-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000360041500 428130658 /nfs/dbraw/zinc/13/06/58/428130658.db2.gz YFDGYMZQNMKEHC-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000360041500 428130664 /nfs/dbraw/zinc/13/06/64/428130664.db2.gz YFDGYMZQNMKEHC-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352535997 428139778 /nfs/dbraw/zinc/13/97/78/428139778.db2.gz YFVXHNOXLVGUDO-IBGZPJMESA-N 2 1 310.445 2.961 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352535997 428139781 /nfs/dbraw/zinc/13/97/81/428139781.db2.gz YFVXHNOXLVGUDO-IBGZPJMESA-N 2 1 310.445 2.961 20 0 DFADMP COc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc2c1OCO2 ZINC000352534074 428139810 /nfs/dbraw/zinc/13/98/10/428139810.db2.gz CUWCCKYNTPYAPE-UHFFFAOYSA-N 2 1 320.433 2.765 20 0 DFADMP CN(C(=O)C1=CCC1)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000341610869 428129017 /nfs/dbraw/zinc/12/90/17/428129017.db2.gz LOUPFAJMUPHENN-ZWKOTPCHSA-N 2 1 319.493 2.502 20 0 DFADMP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000370169281 428149214 /nfs/dbraw/zinc/14/92/14/428149214.db2.gz NSGBAFKTOGDXCM-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000370169281 428149222 /nfs/dbraw/zinc/14/92/22/428149222.db2.gz NSGBAFKTOGDXCM-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000370169281 428149228 /nfs/dbraw/zinc/14/92/28/428149228.db2.gz NSGBAFKTOGDXCM-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000370169281 428149233 /nfs/dbraw/zinc/14/92/33/428149233.db2.gz NSGBAFKTOGDXCM-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3cccnc3s2)[C@H](C)C1 ZINC000341680776 428153644 /nfs/dbraw/zinc/15/36/44/428153644.db2.gz UWSDCEWKESKPTB-OCCSQVGLSA-N 2 1 304.463 2.853 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2nc3cccnc3s2)[C@@H](C)C1 ZINC000341680775 428153682 /nfs/dbraw/zinc/15/36/82/428153682.db2.gz UWSDCEWKESKPTB-JSGCOSHPSA-N 2 1 304.463 2.853 20 0 DFADMP Cc1ccn2c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cnc2c1 ZINC000360153535 428183521 /nfs/dbraw/zinc/18/35/21/428183521.db2.gz JHHRQNKLRFILHJ-UHFFFAOYSA-N 2 1 300.450 2.854 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)o1 ZINC000360095905 428160375 /nfs/dbraw/zinc/16/03/75/428160375.db2.gz OCPDUVFJDOVQKV-HNNXBMFYSA-N 2 1 300.406 2.753 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000341705061 428162791 /nfs/dbraw/zinc/16/27/91/428162791.db2.gz FWCQOBQTZXVXQI-IEBWSBKVSA-N 2 1 320.452 2.886 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000346424555 428166071 /nfs/dbraw/zinc/16/60/71/428166071.db2.gz CTIATEXLQDMEDU-FHWLQOOXSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CC[C@@H]1CCCO1)[C@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000346424555 428166077 /nfs/dbraw/zinc/16/60/77/428166077.db2.gz CTIATEXLQDMEDU-FHWLQOOXSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000346424555 428166084 /nfs/dbraw/zinc/16/60/84/428166084.db2.gz CTIATEXLQDMEDU-FHWLQOOXSA-N 2 1 324.509 2.911 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@@H]1CCCO1 ZINC000346475903 428186019 /nfs/dbraw/zinc/18/60/19/428186019.db2.gz CTSNFSPPKHFOJO-MDZRGWNJSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@@H]1CCCO1 ZINC000346475903 428186022 /nfs/dbraw/zinc/18/60/22/428186022.db2.gz CTSNFSPPKHFOJO-MDZRGWNJSA-N 2 1 318.461 2.564 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)cn1 ZINC000414103092 428206009 /nfs/dbraw/zinc/20/60/09/428206009.db2.gz NGLQUZAFPOOXBR-NVXWUHKLSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+]2CC(C)C)cn1 ZINC000414103092 428206013 /nfs/dbraw/zinc/20/60/13/428206013.db2.gz NGLQUZAFPOOXBR-NVXWUHKLSA-N 2 1 305.466 2.731 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414128067 428213662 /nfs/dbraw/zinc/21/36/62/428213662.db2.gz SWHKLYOBNSNAEU-LFZDHENXSA-N 2 1 316.489 2.894 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414128067 428213666 /nfs/dbraw/zinc/21/36/66/428213666.db2.gz SWHKLYOBNSNAEU-LFZDHENXSA-N 2 1 316.489 2.894 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@@H](C)C1 ZINC000414144360 428217075 /nfs/dbraw/zinc/21/70/75/428217075.db2.gz MPGJFCQUEKITHQ-FJIDUMEYSA-N 2 1 312.498 2.669 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000346558390 428217478 /nfs/dbraw/zinc/21/74/78/428217478.db2.gz LGCQTFGOWCBRGO-NEWSRXKRSA-N 2 1 320.477 2.853 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000346558390 428217484 /nfs/dbraw/zinc/21/74/84/428217484.db2.gz LGCQTFGOWCBRGO-NEWSRXKRSA-N 2 1 320.477 2.853 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2c(s1)CCCC2 ZINC000360242245 428219340 /nfs/dbraw/zinc/21/93/40/428219340.db2.gz NVBACTIJHOEBNK-DZGCQCFKSA-N 2 1 308.491 2.734 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000370495683 428222383 /nfs/dbraw/zinc/22/23/83/428222383.db2.gz BQTFCUJODHVGQL-RCCFBDPRSA-N 2 1 321.509 2.726 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000370495683 428222389 /nfs/dbraw/zinc/22/23/89/428222389.db2.gz BQTFCUJODHVGQL-RCCFBDPRSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1nnc([C@@H]2CC23CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC3)o1 ZINC000370496218 428223083 /nfs/dbraw/zinc/22/30/83/428223083.db2.gz LSECVOZCYAMNBU-HOTGVXAUSA-N 2 1 318.465 2.822 20 0 DFADMP Cc1nnc([C@@H]2CC23CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC3)o1 ZINC000370496218 428223086 /nfs/dbraw/zinc/22/30/86/428223086.db2.gz LSECVOZCYAMNBU-HOTGVXAUSA-N 2 1 318.465 2.822 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H](CCO)C2CCCCC2)s1 ZINC000352747633 428229240 /nfs/dbraw/zinc/22/92/40/428229240.db2.gz FIEZSYUUSNQDHN-HNNXBMFYSA-N 2 1 311.495 2.626 20 0 DFADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)C2 ZINC000414203521 428233056 /nfs/dbraw/zinc/23/30/56/428233056.db2.gz ZJTLQUYXAGUCGB-ATLSCFEFSA-N 2 1 300.446 2.625 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@H](C)C2 ZINC000352757885 428234845 /nfs/dbraw/zinc/23/48/45/428234845.db2.gz LLGKWWHBWSQBMK-YVWKXTFCSA-N 2 1 316.489 2.911 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)[C@H](C)C2 ZINC000352757883 428235575 /nfs/dbraw/zinc/23/55/75/428235575.db2.gz LLGKWWHBWSQBMK-IMFGXOCKSA-N 2 1 316.489 2.911 20 0 DFADMP COCC[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414211712 428235828 /nfs/dbraw/zinc/23/58/28/428235828.db2.gz VWXVEWNHCXWQDA-QGZVFWFLSA-N 2 1 304.478 2.956 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000352766969 428236706 /nfs/dbraw/zinc/23/67/06/428236706.db2.gz ZTQLSKWGHBVVKD-HNNXBMFYSA-N 2 1 324.538 2.949 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000352766969 428236714 /nfs/dbraw/zinc/23/67/14/428236714.db2.gz ZTQLSKWGHBVVKD-HNNXBMFYSA-N 2 1 324.538 2.949 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC(CC)(CC)CC2)CC1 ZINC000346485062 428191950 /nfs/dbraw/zinc/19/19/50/428191950.db2.gz KKDZGZAFOWQMPK-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP COc1cc(C)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C)n1 ZINC000360178303 428194415 /nfs/dbraw/zinc/19/44/15/428194415.db2.gz TYCIRZBTJIDGIM-UHFFFAOYSA-N 2 1 305.466 2.919 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377686632 428194594 /nfs/dbraw/zinc/19/45/94/428194594.db2.gz NGCZOOFDDUYUKM-INIZCTEOSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377686632 428194598 /nfs/dbraw/zinc/19/45/98/428194598.db2.gz NGCZOOFDDUYUKM-INIZCTEOSA-N 2 1 312.417 2.536 20 0 DFADMP CCN(CC[NH+]1CCCCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000360185028 428196458 /nfs/dbraw/zinc/19/64/58/428196458.db2.gz PAQHTUMSNWBIRE-SFHVURJKSA-N 2 1 323.525 2.975 20 0 DFADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000414066935 428196688 /nfs/dbraw/zinc/19/66/88/428196688.db2.gz PVMAYNLZMHXKCJ-JYBIWHBTSA-N 2 1 315.505 2.999 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414072380 428198178 /nfs/dbraw/zinc/19/81/78/428198178.db2.gz MLMYPZKLBSNNSW-JKSUJKDBSA-N 2 1 304.482 2.992 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370395913 428200723 /nfs/dbraw/zinc/20/07/23/428200723.db2.gz ROVGQPXNFBUAPX-GJZGRUSLSA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370395913 428200727 /nfs/dbraw/zinc/20/07/27/428200727.db2.gz ROVGQPXNFBUAPX-GJZGRUSLSA-N 2 1 314.408 2.932 20 0 DFADMP CC(C)n1cc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)nn1 ZINC000377703202 428203073 /nfs/dbraw/zinc/20/30/73/428203073.db2.gz WFMYHONRFGXGDU-OAHLLOKOSA-N 2 1 317.481 2.555 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccccc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370407760 428204802 /nfs/dbraw/zinc/20/48/02/428204802.db2.gz RVVVKBWYGKPMKB-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccccc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370407760 428204803 /nfs/dbraw/zinc/20/48/03/428204803.db2.gz RVVVKBWYGKPMKB-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C(C)(C)C ZINC000370659440 428264111 /nfs/dbraw/zinc/26/41/11/428264111.db2.gz COUWAKITCQAUGU-YLFCFFPRSA-N 2 1 312.498 2.527 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414350837 428267961 /nfs/dbraw/zinc/26/79/61/428267961.db2.gz ZNXRSWVFVDYDGO-YLFCFFPRSA-N 2 1 306.450 2.862 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1ccccn1 ZINC000346677832 428268856 /nfs/dbraw/zinc/26/88/56/428268856.db2.gz LRKPLTPPZMOCMZ-CVEARBPZSA-N 2 1 311.429 2.830 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000414356006 428270152 /nfs/dbraw/zinc/27/01/52/428270152.db2.gz ZOVXTDGQNKJEJJ-SOLBZPMBSA-N 2 1 303.425 2.621 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000346681144 428271334 /nfs/dbraw/zinc/27/13/34/428271334.db2.gz OLABXBZOBFZKDR-WDEREUQCSA-N 2 1 306.360 2.524 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000346681144 428271337 /nfs/dbraw/zinc/27/13/37/428271337.db2.gz OLABXBZOBFZKDR-WDEREUQCSA-N 2 1 306.360 2.524 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000346685528 428272722 /nfs/dbraw/zinc/27/27/22/428272722.db2.gz SQADSWGTMCEZEE-GXTWGEPZSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000346685528 428272727 /nfs/dbraw/zinc/27/27/27/428272727.db2.gz SQADSWGTMCEZEE-GXTWGEPZSA-N 2 1 304.825 2.695 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC000342097462 428298502 /nfs/dbraw/zinc/29/85/02/428298502.db2.gz HSKCDRZWHZLESL-DAXOMENPSA-N 2 1 321.852 2.728 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000346693182 428277135 /nfs/dbraw/zinc/27/71/35/428277135.db2.gz LFHJBKKWOIZOLX-NVXWUHKLSA-N 2 1 311.429 2.830 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC ZINC000346693173 428277813 /nfs/dbraw/zinc/27/78/13/428277813.db2.gz LEEXCSPVJNRKGG-UHFFFAOYSA-N 2 1 310.438 2.519 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000346693393 428278088 /nfs/dbraw/zinc/27/80/88/428278088.db2.gz MVLHNWMAFYZWQQ-NEPJUHHUSA-N 2 1 302.340 2.797 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352855613 428282245 /nfs/dbraw/zinc/28/22/45/428282245.db2.gz TVYBCNJZKCPXFF-HKUYNNGSSA-N 2 1 307.526 2.986 20 0 DFADMP C[C@@H](F)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352882259 428293661 /nfs/dbraw/zinc/29/36/61/428293661.db2.gz GWOUHNWTVIJJIL-IEBWSBKVSA-N 2 1 319.468 2.627 20 0 DFADMP COc1cccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1OC ZINC000377861963 428247620 /nfs/dbraw/zinc/24/76/20/428247620.db2.gz UTZKZYDCBZKWJF-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1OC ZINC000377861963 428247624 /nfs/dbraw/zinc/24/76/24/428247624.db2.gz UTZKZYDCBZKWJF-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@@H](C)C1 ZINC000414282318 428250732 /nfs/dbraw/zinc/25/07/32/428250732.db2.gz HLQZBBRHFVJPMF-YLFCFFPRSA-N 2 1 300.462 2.994 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000352816271 428258430 /nfs/dbraw/zinc/25/84/30/428258430.db2.gz NYGJLEMBUHWGND-MOPGFXCFSA-N 2 1 300.446 2.621 20 0 DFADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000352816271 428258435 /nfs/dbraw/zinc/25/84/35/428258435.db2.gz NYGJLEMBUHWGND-MOPGFXCFSA-N 2 1 300.446 2.621 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000352816271 428258437 /nfs/dbraw/zinc/25/84/37/428258437.db2.gz NYGJLEMBUHWGND-MOPGFXCFSA-N 2 1 300.446 2.621 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000414441391 428298166 /nfs/dbraw/zinc/29/81/66/428298166.db2.gz YSVUVZFTYLVURI-UHFFFAOYSA-N 2 1 314.408 2.671 20 0 DFADMP C[C@H](O)CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813495 428260031 /nfs/dbraw/zinc/26/00/31/428260031.db2.gz BTEZGRNWRXFXSJ-PKOBYXMFSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](O)CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813495 428260035 /nfs/dbraw/zinc/26/00/35/428260035.db2.gz BTEZGRNWRXFXSJ-PKOBYXMFSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](O)CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813495 428260038 /nfs/dbraw/zinc/26/00/38/428260038.db2.gz BTEZGRNWRXFXSJ-PKOBYXMFSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000370646574 428262141 /nfs/dbraw/zinc/26/21/41/428262141.db2.gz WKLZOMFOKHDIIW-LSDHHAIUSA-N 2 1 306.454 2.510 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)C[C@@H]21 ZINC000342111881 428306250 /nfs/dbraw/zinc/30/62/50/428306250.db2.gz VAZJYJYUDYBRCN-FRRDWIJNSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)C[C@@H]21 ZINC000342111881 428306254 /nfs/dbraw/zinc/30/62/54/428306254.db2.gz VAZJYJYUDYBRCN-FRRDWIJNSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC000342111882 428306361 /nfs/dbraw/zinc/30/63/61/428306361.db2.gz VAZJYJYUDYBRCN-JHJVBQTASA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC000342111882 428306366 /nfs/dbraw/zinc/30/63/66/428306366.db2.gz VAZJYJYUDYBRCN-JHJVBQTASA-N 2 1 303.431 2.962 20 0 DFADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccnc(Cl)c2)CC1 ZINC000360468844 428310776 /nfs/dbraw/zinc/31/07/76/428310776.db2.gz XPGWHYOYDKMAMZ-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP COc1cc2c(c(CN3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c1)O[C@@H](C)C2 ZINC000352930310 428316331 /nfs/dbraw/zinc/31/63/31/428316331.db2.gz KBRXJNCXOYXAOU-SUNYJGFJSA-N 2 1 316.445 2.545 20 0 DFADMP COC(=O)[C@H]1CCCCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000360485170 428317949 /nfs/dbraw/zinc/31/79/49/428317949.db2.gz STILZJRQTIOWIN-JKSUJKDBSA-N 2 1 307.438 2.683 20 0 DFADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000370909756 428319400 /nfs/dbraw/zinc/31/94/00/428319400.db2.gz VKOFDANSSPGWMW-VQHPVUNQSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@@H]1[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CCC[N@H+]1C ZINC000346795740 428321276 /nfs/dbraw/zinc/32/12/76/428321276.db2.gz MSALCEPUEOZNCQ-YLJYHZDGSA-N 2 1 315.505 2.766 20 0 DFADMP COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000378165469 428323796 /nfs/dbraw/zinc/32/37/96/428323796.db2.gz GCJGNWWZNUVOFD-BBWFWOEESA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000378165469 428323800 /nfs/dbraw/zinc/32/38/00/428323800.db2.gz GCJGNWWZNUVOFD-BBWFWOEESA-N 2 1 317.477 2.736 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@@H](C)O[C@H]3C)sc2C1 ZINC000414514441 428326080 /nfs/dbraw/zinc/32/60/80/428326080.db2.gz LNNYTHSPVJOVIW-RDBSUJKOSA-N 2 1 323.506 2.813 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3C[C@@H](C)O[C@H]3C)sc2C1 ZINC000414514441 428326084 /nfs/dbraw/zinc/32/60/84/428326084.db2.gz LNNYTHSPVJOVIW-RDBSUJKOSA-N 2 1 323.506 2.813 20 0 DFADMP C[C@@H]1C[C@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000346824932 428332699 /nfs/dbraw/zinc/33/26/99/428332699.db2.gz DCAYDZGUOJWYBK-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346832605 428336760 /nfs/dbraw/zinc/33/67/60/428336760.db2.gz LPPJGWASZSFCHY-USXIJHARSA-N 2 1 304.482 2.814 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)n1 ZINC000346838359 428340608 /nfs/dbraw/zinc/34/06/08/428340608.db2.gz XBGVGBWUUKMSQP-CGTJXYLNSA-N 2 1 310.445 2.646 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H](C)[C@H]3CCCOC3)CC2)[nH+]1 ZINC000356857275 428340891 /nfs/dbraw/zinc/34/08/91/428340891.db2.gz WXHCALJELITIEJ-CVEARBPZSA-N 2 1 303.450 2.764 20 0 DFADMP Fc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346840503 428341817 /nfs/dbraw/zinc/34/18/17/428341817.db2.gz GDWOUMMVDCSKOJ-SJLPKXTDSA-N 2 1 306.425 2.806 20 0 DFADMP Fc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346840503 428341820 /nfs/dbraw/zinc/34/18/20/428341820.db2.gz GDWOUMMVDCSKOJ-SJLPKXTDSA-N 2 1 306.425 2.806 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3c2NCC3)CC1 ZINC000346840957 428341921 /nfs/dbraw/zinc/34/19/21/428341921.db2.gz GXQVUWVCIZWCTI-UHFFFAOYSA-N 2 1 310.445 2.843 20 0 DFADMP C[C@@H]1C[C@@H](CNC(=[NH2+])Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000371017805 428342664 /nfs/dbraw/zinc/34/26/64/428342664.db2.gz UEZYUSHAJOLCKG-WBVHZDCISA-N 2 1 323.444 2.928 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCCC(F)(F)F)C2)CC1 ZINC000378243187 428345040 /nfs/dbraw/zinc/34/50/40/428345040.db2.gz GARIQZPZYKSGCS-HNNXBMFYSA-N 2 1 321.431 2.819 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346863119 428349954 /nfs/dbraw/zinc/34/99/54/428349954.db2.gz XBOCVRQURMTGDE-GUTXKFCHSA-N 2 1 324.852 2.916 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346863119 428349958 /nfs/dbraw/zinc/34/99/58/428349958.db2.gz XBOCVRQURMTGDE-GUTXKFCHSA-N 2 1 324.852 2.916 20 0 DFADMP CC[C@@H](F)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352894797 428301745 /nfs/dbraw/zinc/30/17/45/428301745.db2.gz VOJIECSMVPXPJI-RTBURBONSA-N 2 1 319.468 2.627 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000414728108 428388649 /nfs/dbraw/zinc/38/86/49/428388649.db2.gz CADXRCGJVLKTDR-HOTGVXAUSA-N 2 1 303.450 2.711 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000414728108 428388654 /nfs/dbraw/zinc/38/86/54/428388654.db2.gz CADXRCGJVLKTDR-HOTGVXAUSA-N 2 1 303.450 2.711 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104501 428389204 /nfs/dbraw/zinc/38/92/04/428389204.db2.gz LDRTYEDBKVEKHW-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104501 428389207 /nfs/dbraw/zinc/38/92/07/428389207.db2.gz LDRTYEDBKVEKHW-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735116 428391182 /nfs/dbraw/zinc/39/11/82/428391182.db2.gz BXUNOHTXSDPCSE-LSDHHAIUSA-N 2 1 306.450 2.914 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353122293 428391851 /nfs/dbraw/zinc/39/18/51/428391851.db2.gz VCFRBMZNTYZBPR-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353122293 428391857 /nfs/dbraw/zinc/39/18/57/428391857.db2.gz VCFRBMZNTYZBPR-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)Cc2ccccc21 ZINC000414748303 428393198 /nfs/dbraw/zinc/39/31/98/428393198.db2.gz NXOHZULDJUVMNC-HDMKZQKVSA-N 2 1 316.445 2.537 20 0 DFADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@H]1CCC[NH2+]C1 ZINC000346987352 428396535 /nfs/dbraw/zinc/39/65/35/428396535.db2.gz SJJKPNMDFUJLLR-SFHVURJKSA-N 2 1 316.493 2.620 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000414768187 428396777 /nfs/dbraw/zinc/39/67/77/428396777.db2.gz UNFFFOKRNCFKRJ-SFHVURJKSA-N 2 1 314.408 2.505 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000414768187 428396783 /nfs/dbraw/zinc/39/67/83/428396783.db2.gz UNFFFOKRNCFKRJ-SFHVURJKSA-N 2 1 314.408 2.505 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414773294 428400020 /nfs/dbraw/zinc/40/00/20/428400020.db2.gz DJFAHNYJJAPXLZ-DLBZAZTESA-N 2 1 304.482 2.731 20 0 DFADMP Clc1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2c1 ZINC000414772631 428401419 /nfs/dbraw/zinc/40/14/19/428401419.db2.gz CHSQZDDZFZMYND-KGLIPLIRSA-N 2 1 318.852 2.809 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2coc3ccccc23)CC12CCOCC2 ZINC000414772866 428402324 /nfs/dbraw/zinc/40/23/24/428402324.db2.gz CQZGONHLCUEEIJ-HNNXBMFYSA-N 2 1 300.402 2.620 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000414774166 428402398 /nfs/dbraw/zinc/40/23/98/428402398.db2.gz YIFZSVTYXGAALG-BETUJISGSA-N 2 1 302.447 2.570 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000414781833 428406547 /nfs/dbraw/zinc/40/65/47/428406547.db2.gz NLSRLTDPZAOQRB-JKSUJKDBSA-N 2 1 304.434 2.525 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC12CCOCC2 ZINC000414784469 428407103 /nfs/dbraw/zinc/40/71/03/428407103.db2.gz RIHTZXAZZUGXQF-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CC12CCOCC2 ZINC000414784469 428407108 /nfs/dbraw/zinc/40/71/08/428407108.db2.gz RIHTZXAZZUGXQF-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP Cc1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784287 428407134 /nfs/dbraw/zinc/40/71/34/428407134.db2.gz RCTARTWBDTXNOF-HNNXBMFYSA-N 2 1 314.429 2.929 20 0 DFADMP CSc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414791842 428412778 /nfs/dbraw/zinc/41/27/78/428412778.db2.gz RLCJVAZBCPCENA-HNNXBMFYSA-N 2 1 306.475 2.596 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000378299460 428357794 /nfs/dbraw/zinc/35/77/94/428357794.db2.gz OZKHMWGVPOTLTJ-KRWDZBQOSA-N 2 1 321.896 2.799 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000378299460 428357798 /nfs/dbraw/zinc/35/77/98/428357798.db2.gz OZKHMWGVPOTLTJ-KRWDZBQOSA-N 2 1 321.896 2.799 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000371106354 428358308 /nfs/dbraw/zinc/35/83/08/428358308.db2.gz KBEJRRMMQWDXRM-JENIJYKNSA-N 2 1 300.446 2.825 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000371106354 428358313 /nfs/dbraw/zinc/35/83/13/428358313.db2.gz KBEJRRMMQWDXRM-JENIJYKNSA-N 2 1 300.446 2.825 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000371106356 428358950 /nfs/dbraw/zinc/35/89/50/428358950.db2.gz KBEJRRMMQWDXRM-ZHALLVOQSA-N 2 1 300.446 2.825 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000371106356 428358956 /nfs/dbraw/zinc/35/89/56/428358956.db2.gz KBEJRRMMQWDXRM-ZHALLVOQSA-N 2 1 300.446 2.825 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@H](C)C1 ZINC000356920572 428361680 /nfs/dbraw/zinc/36/16/80/428361680.db2.gz QAAXERWLIZRIKI-SQNIBIBYSA-N 2 1 312.498 2.672 20 0 DFADMP CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414675526 428369355 /nfs/dbraw/zinc/36/93/55/428369355.db2.gz TYLVUFNYBWVPMB-KGLIPLIRSA-N 2 1 314.433 2.545 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414674784 428370255 /nfs/dbraw/zinc/37/02/55/428370255.db2.gz FDOHMAPNCBTVSJ-GJZGRUSLSA-N 2 1 303.450 2.507 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000414678232 428372416 /nfs/dbraw/zinc/37/24/16/428372416.db2.gz JWMUBHLXOZLTAJ-GOSISDBHSA-N 2 1 307.457 2.707 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414680123 428373702 /nfs/dbraw/zinc/37/37/02/428373702.db2.gz SQPZRDHHCJXAAI-CVEARBPZSA-N 2 1 303.450 2.562 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414680129 428373860 /nfs/dbraw/zinc/37/38/60/428373860.db2.gz SQPZRDHHCJXAAI-JKSUJKDBSA-N 2 1 303.450 2.562 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)CC[NH2+]1 ZINC000414682641 428374152 /nfs/dbraw/zinc/37/41/52/428374152.db2.gz YUNUWNVTNRGDQF-QWHCGFSZSA-N 2 1 309.841 2.598 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC000357050635 428374254 /nfs/dbraw/zinc/37/42/54/428374254.db2.gz BTRLNXQZIGURAF-SFHVURJKSA-N 2 1 323.525 2.971 20 0 DFADMP C[C@@H]1C[C@@H](CN2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688839 428374922 /nfs/dbraw/zinc/37/49/22/428374922.db2.gz JSVQAVPKJMWFHU-MJGOQNOKSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CCCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688839 428374928 /nfs/dbraw/zinc/37/49/28/428374928.db2.gz JSVQAVPKJMWFHU-MJGOQNOKSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688839 428374930 /nfs/dbraw/zinc/37/49/30/428374930.db2.gz JSVQAVPKJMWFHU-MJGOQNOKSA-N 2 1 307.526 2.963 20 0 DFADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357066978 428375631 /nfs/dbraw/zinc/37/56/31/428375631.db2.gz DHORGJWOXQNHEB-DOTOQJQBSA-N 2 1 309.413 2.915 20 0 DFADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357066978 428375641 /nfs/dbraw/zinc/37/56/41/428375641.db2.gz DHORGJWOXQNHEB-DOTOQJQBSA-N 2 1 309.413 2.915 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000414687776 428375962 /nfs/dbraw/zinc/37/59/62/428375962.db2.gz IBGRHJAZYPZDFO-QZTJIDSGSA-N 2 1 321.509 2.619 20 0 DFADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414685145 428376465 /nfs/dbraw/zinc/37/64/65/428376465.db2.gz YEFHZCFRYKHPRR-GDBMZVCRSA-N 2 1 306.450 2.914 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000414698367 428379740 /nfs/dbraw/zinc/37/97/40/428379740.db2.gz DCHUPUNHLANWJE-ZBFHGGJFSA-N 2 1 310.869 2.913 20 0 DFADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414704408 428381723 /nfs/dbraw/zinc/38/17/23/428381723.db2.gz NFRPODQLQQKTFQ-NEWSRXKRSA-N 2 1 304.478 2.894 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@H+]2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414728566 428387522 /nfs/dbraw/zinc/38/75/22/428387522.db2.gz CHIXDLAPSPBCRQ-WDYCEAGBSA-N 2 1 301.478 2.583 20 0 DFADMP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414728566 428387525 /nfs/dbraw/zinc/38/75/25/428387525.db2.gz CHIXDLAPSPBCRQ-WDYCEAGBSA-N 2 1 301.478 2.583 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357098910 428387767 /nfs/dbraw/zinc/38/77/67/428387767.db2.gz BXGCAPQMJARUBR-UONOGXRCSA-N 2 1 314.351 2.669 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357098910 428387775 /nfs/dbraw/zinc/38/77/75/428387775.db2.gz BXGCAPQMJARUBR-UONOGXRCSA-N 2 1 314.351 2.669 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@H]3[C@H](C)[NH3+])sc2C1 ZINC000347074702 428435091 /nfs/dbraw/zinc/43/50/91/428435091.db2.gz TVKQGJJIWKXUNI-ZFWWWQNUSA-N 2 1 322.522 2.611 20 0 DFADMP c1cc(C[NH2+]CCC[NH2+]Cc2cccnc2)n(-c2ccccc2)n1 ZINC000414861697 428435387 /nfs/dbraw/zinc/43/53/87/428435387.db2.gz SZIDBJLOBRWJHM-UHFFFAOYSA-N 2 1 321.428 2.537 20 0 DFADMP C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414856557 428435515 /nfs/dbraw/zinc/43/55/15/428435515.db2.gz OIPOESIZPNZHGQ-WMZOPIPTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414950724 428470152 /nfs/dbraw/zinc/47/01/52/428470152.db2.gz GJRAGSWLFOQCMY-SJLPKXTDSA-N 2 1 303.494 2.732 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414950724 428470156 /nfs/dbraw/zinc/47/01/56/428470156.db2.gz GJRAGSWLFOQCMY-SJLPKXTDSA-N 3 1 303.494 2.732 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414950724 428470158 /nfs/dbraw/zinc/47/01/58/428470158.db2.gz GJRAGSWLFOQCMY-SJLPKXTDSA-N 3 1 303.494 2.732 20 0 DFADMP COCCCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000347081348 428436894 /nfs/dbraw/zinc/43/68/94/428436894.db2.gz YDJFALUMWVCSRD-JWTNVVGKSA-N 2 1 318.461 2.817 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(-c3cccnc3)n[nH]2)[C@@H](C)C1 ZINC000372403461 428439381 /nfs/dbraw/zinc/43/93/81/428439381.db2.gz DCUSKCCOIUBAHG-KBXCAEBGSA-N 2 1 313.449 2.634 20 0 DFADMP CC(C)C[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357224954 428442415 /nfs/dbraw/zinc/44/24/15/428442415.db2.gz BZGCVAFMKFDBLW-YTQUADARSA-N 2 1 304.478 2.894 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225747 428443308 /nfs/dbraw/zinc/44/33/08/428443308.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357225747 428443314 /nfs/dbraw/zinc/44/33/14/428443314.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357225747 428443321 /nfs/dbraw/zinc/44/33/21/428443321.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225747 428443328 /nfs/dbraw/zinc/44/33/28/428443328.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225747 428443335 /nfs/dbraw/zinc/44/33/35/428443335.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357225747 428443342 /nfs/dbraw/zinc/44/33/42/428443342.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357225747 428443347 /nfs/dbraw/zinc/44/33/47/428443347.db2.gz BLKSBECMQJIWDK-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP CCc1cccc(Cl)c1C[NH2+]CCCN1CCC(O)CC1 ZINC000353237158 428443521 /nfs/dbraw/zinc/44/35/21/428443521.db2.gz MMIQLNHOVORWNC-UHFFFAOYSA-N 2 1 310.869 2.839 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357228211 428443589 /nfs/dbraw/zinc/44/35/89/428443589.db2.gz FPRLUPWSEOYUQV-CWLKWCNXSA-N 2 1 322.518 2.599 20 0 DFADMP C[C@H](CC[NH3+])[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414883388 428444724 /nfs/dbraw/zinc/44/47/24/428444724.db2.gz ADODEOGRMYSQIW-SNVBAGLBSA-N 2 1 323.238 2.666 20 0 DFADMP COc1cccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1OC(C)C ZINC000353236853 428445443 /nfs/dbraw/zinc/44/54/43/428445443.db2.gz DAASQPNSDKLVEG-AWEZNQCLSA-N 2 1 315.417 2.853 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(SC)cc1OC ZINC000347099003 428445592 /nfs/dbraw/zinc/44/55/92/428445592.db2.gz JBYDNQYASOGUGH-OLZOCXBDSA-N 2 1 324.490 2.985 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(SC)cc1OC ZINC000347099003 428445599 /nfs/dbraw/zinc/44/55/99/428445599.db2.gz JBYDNQYASOGUGH-OLZOCXBDSA-N 2 1 324.490 2.985 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@@H](C)C3)sc2C1 ZINC000378651188 428448278 /nfs/dbraw/zinc/44/82/78/428448278.db2.gz RCFSSPGPCPFIQN-STQMWFEESA-N 2 1 309.479 2.567 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@@H](C)C3)sc2C1 ZINC000378651188 428448282 /nfs/dbraw/zinc/44/82/82/428448282.db2.gz RCFSSPGPCPFIQN-STQMWFEESA-N 2 1 309.479 2.567 20 0 DFADMP C[C@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000347109267 428448432 /nfs/dbraw/zinc/44/84/32/428448432.db2.gz NCYACDJWJJPCCP-BLLLJJGKSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000347109267 428448436 /nfs/dbraw/zinc/44/84/36/428448436.db2.gz NCYACDJWJJPCCP-BLLLJJGKSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000347108365 428448530 /nfs/dbraw/zinc/44/85/30/428448530.db2.gz MRXPOVGVDUYDIP-BXUZGUMPSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000414901347 428450046 /nfs/dbraw/zinc/45/00/46/428450046.db2.gz GDFARDSIEQYQPM-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@H](C)C[NH3+])c1 ZINC000414903073 428452098 /nfs/dbraw/zinc/45/20/98/428452098.db2.gz LKDIYIONDHETOG-CYBMUJFWSA-N 2 1 315.421 2.524 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C1 ZINC000414902365 428452366 /nfs/dbraw/zinc/45/23/66/428452366.db2.gz HFMUECPDORAXIN-NEWSRXKRSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C1 ZINC000414902365 428452370 /nfs/dbraw/zinc/45/23/70/428452370.db2.gz HFMUECPDORAXIN-NEWSRXKRSA-N 2 1 301.478 2.801 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](c2cccnc2)C2CCC2)CC1 ZINC000360822824 428453435 /nfs/dbraw/zinc/45/34/35/428453435.db2.gz SORVHYFWKDOMEH-MOPGFXCFSA-N 2 1 317.477 2.605 20 0 DFADMP COCC1(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000381957855 428454250 /nfs/dbraw/zinc/45/42/50/428454250.db2.gz FYQAYDITQPYYAR-SFHVURJKSA-N 2 1 302.462 2.915 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414916418 428456394 /nfs/dbraw/zinc/45/63/94/428456394.db2.gz PNDQLNUEFNBEIL-GOSISDBHSA-N 2 1 316.424 2.799 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414932098 428461989 /nfs/dbraw/zinc/46/19/89/428461989.db2.gz QQVKZTXMHMGDQZ-KSSFIOAISA-N 2 1 321.896 2.892 20 0 DFADMP COc1sc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000414936270 428462793 /nfs/dbraw/zinc/46/27/93/428462793.db2.gz BOCAKQCFBKRNOQ-GZMMTYOYSA-N 2 1 319.268 2.607 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000387012495 428463315 /nfs/dbraw/zinc/46/33/15/428463315.db2.gz JKOSQPCWVYBMRB-JKSUJKDBSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000387012495 428463322 /nfs/dbraw/zinc/46/33/22/428463322.db2.gz JKOSQPCWVYBMRB-JKSUJKDBSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414932076 428464017 /nfs/dbraw/zinc/46/40/17/428464017.db2.gz QQVKZTXMHMGDQZ-KDOFPFPSSA-N 2 1 321.896 2.892 20 0 DFADMP COc1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c1)O[C@H](C)C2 ZINC000347141457 428464567 /nfs/dbraw/zinc/46/45/67/428464567.db2.gz WOVJFESADSXPGA-MCIONIFRSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c1)O[C@H](C)C2 ZINC000347141457 428464573 /nfs/dbraw/zinc/46/45/73/428464573.db2.gz WOVJFESADSXPGA-MCIONIFRSA-N 2 1 304.434 2.578 20 0 DFADMP C[N@H+](CCCOCc1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372577441 428464861 /nfs/dbraw/zinc/46/48/61/428464861.db2.gz YEHMTUYCWGYGRY-GOSISDBHSA-N 2 1 313.445 2.984 20 0 DFADMP C[N@@H+](CCCOCc1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372577441 428464867 /nfs/dbraw/zinc/46/48/67/428464867.db2.gz YEHMTUYCWGYGRY-GOSISDBHSA-N 2 1 313.445 2.984 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000387831879 428466424 /nfs/dbraw/zinc/46/64/24/428466424.db2.gz ZHIBHRRGGXVQBK-GVDBMIGSSA-N 2 1 303.450 2.879 20 0 DFADMP CN(CC[C@H]1CCCC[N@@H+]1C)c1cc[nH+]c(N2CCCCC2)n1 ZINC000353279157 428466457 /nfs/dbraw/zinc/46/64/57/428466457.db2.gz YOSBBHUYVRGZPF-MRXNPFEDSA-N 2 1 317.481 2.778 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc[nH+]c(N2CCCCC2)n1 ZINC000353279157 428466459 /nfs/dbraw/zinc/46/64/59/428466459.db2.gz YOSBBHUYVRGZPF-MRXNPFEDSA-N 2 1 317.481 2.778 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000347034916 428415627 /nfs/dbraw/zinc/41/56/27/428415627.db2.gz PBUXQJFXISPRJW-QZTJIDSGSA-N 2 1 302.462 2.759 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1cc2c(cc1SC)OCCO2 ZINC000414804073 428417172 /nfs/dbraw/zinc/41/71/72/428417172.db2.gz DVFYIETYPJRQKQ-UHFFFAOYSA-N 2 1 310.463 2.787 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414811915 428419286 /nfs/dbraw/zinc/41/92/86/428419286.db2.gz JUFFMVZCWDGYCC-HIFRSBDPSA-N 2 1 307.438 2.519 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]([NH3+])CC(C)C)cc1 ZINC000353182719 428419480 /nfs/dbraw/zinc/41/94/80/428419480.db2.gz KCASECCMZJSIRX-CXAGYDPISA-N 2 1 314.433 2.731 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414811595 428419613 /nfs/dbraw/zinc/41/96/13/428419613.db2.gz JPXIFRCBQHSXJT-SJLPKXTDSA-N 2 1 306.450 2.852 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000414807086 428419724 /nfs/dbraw/zinc/41/97/24/428419724.db2.gz QSGIZJBQOOEPEM-PWSUYJOCSA-N 2 1 313.239 2.762 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1[NH3+] ZINC000347043419 428420455 /nfs/dbraw/zinc/42/04/55/428420455.db2.gz MQYJLZKLULBQGT-DNVCBOLYSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414819604 428420993 /nfs/dbraw/zinc/42/09/93/428420993.db2.gz HYLXOOJYSWJBDD-WMLDXEAASA-N 2 1 316.424 2.548 20 0 DFADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OCC(C)C ZINC000414812565 428421623 /nfs/dbraw/zinc/42/16/23/428421623.db2.gz XLMBVOGOFSVTCB-MRXNPFEDSA-N 2 1 306.450 2.947 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000414824390 428423535 /nfs/dbraw/zinc/42/35/35/428423535.db2.gz FLEYTBZMWPJQDP-GFCCVEGCSA-N 2 1 310.463 2.515 20 0 DFADMP Clc1ccccc1CN1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000414821370 428424790 /nfs/dbraw/zinc/42/47/90/428424790.db2.gz CAVUKFVVLXMLOM-MRXNPFEDSA-N 2 1 307.869 2.646 20 0 DFADMP Fc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414828732 428426216 /nfs/dbraw/zinc/42/62/16/428426216.db2.gz MLFWUHHAIADAAM-JTQLQIEISA-N 2 1 301.203 2.677 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414835913 428427307 /nfs/dbraw/zinc/42/73/07/428427307.db2.gz SCQVGLLFDRURJU-KRWDZBQOSA-N 3 1 303.494 2.734 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414835913 428427314 /nfs/dbraw/zinc/42/73/14/428427314.db2.gz SCQVGLLFDRURJU-KRWDZBQOSA-N 2 1 303.494 2.734 20 0 DFADMP CC[N@H+](CCCCn1cc[nH+]c1C)CC(=O)N1CCCCCC1 ZINC000353198222 428427722 /nfs/dbraw/zinc/42/77/22/428427722.db2.gz YLLKMASIEFWQFH-UHFFFAOYSA-N 2 1 320.481 2.696 20 0 DFADMP CC[N@@H+](CCCCn1cc[nH+]c1C)CC(=O)N1CCCCCC1 ZINC000353198222 428427727 /nfs/dbraw/zinc/42/77/27/428427727.db2.gz YLLKMASIEFWQFH-UHFFFAOYSA-N 2 1 320.481 2.696 20 0 DFADMP C[C@@H]([NH2+]CC1(CO)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372336087 428428876 /nfs/dbraw/zinc/42/88/76/428428876.db2.gz CXMNZHRPRWOKGO-SJLPKXTDSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H]([NH2+]Cc1csc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000414843461 428429239 /nfs/dbraw/zinc/42/92/39/428429239.db2.gz CAKDAFVRLFSXHW-ONGXEEELSA-N 2 1 303.269 2.988 20 0 DFADMP C[C@@H]([NH2+]Cc1csc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000414843459 428431223 /nfs/dbraw/zinc/43/12/23/428431223.db2.gz CAKDAFVRLFSXHW-MWLCHTKSSA-N 2 1 303.269 2.988 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347062623 428431500 /nfs/dbraw/zinc/43/15/00/428431500.db2.gz ZXMMTAKVQSZUIM-DZGCQCFKSA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347062623 428431504 /nfs/dbraw/zinc/43/15/04/428431504.db2.gz ZXMMTAKVQSZUIM-DZGCQCFKSA-N 2 1 322.449 2.662 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000414851181 428433313 /nfs/dbraw/zinc/43/33/13/428433313.db2.gz OVGASWFVOZSACA-CVEARBPZSA-N 2 1 305.466 2.984 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414994394 428483759 /nfs/dbraw/zinc/48/37/59/428483759.db2.gz DLMAHUIIHWMIPU-GFCCVEGCSA-N 2 1 324.400 2.540 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000347183436 428484929 /nfs/dbraw/zinc/48/49/29/428484929.db2.gz XAWOKPYWDNJRJC-GFCCVEGCSA-N 2 1 310.463 2.596 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000347183436 428484935 /nfs/dbraw/zinc/48/49/35/428484935.db2.gz XAWOKPYWDNJRJC-GFCCVEGCSA-N 2 1 310.463 2.596 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC000415002181 428485666 /nfs/dbraw/zinc/48/56/66/428485666.db2.gz NJMKPAUMASVCSR-ISUDXETCSA-N 2 1 302.315 2.812 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353431156 428530953 /nfs/dbraw/zinc/53/09/53/428530953.db2.gz LAFIGWROIASYMK-QZTJIDSGSA-N 2 1 321.509 2.728 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C(C)(C)CCC[NH3+])sc2C1 ZINC000415011284 428487297 /nfs/dbraw/zinc/48/72/97/428487297.db2.gz HHVPOCYCIDKIJY-UHFFFAOYSA-N 3 1 310.511 2.517 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C(C)(C)CCC[NH3+])sc2C1 ZINC000415011284 428487302 /nfs/dbraw/zinc/48/73/02/428487302.db2.gz HHVPOCYCIDKIJY-UHFFFAOYSA-N 3 1 310.511 2.517 20 0 DFADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000415007549 428487657 /nfs/dbraw/zinc/48/76/57/428487657.db2.gz UZBDWCZCKSRKLC-MXWKQRLJSA-N 2 1 300.315 2.942 20 0 DFADMP CCOc1cc(C[NH2+][C@H](C)[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000415008272 428488266 /nfs/dbraw/zinc/48/82/66/428488266.db2.gz DNVZVWKVTXMJHS-GHMZBOCLSA-N 2 1 320.355 2.852 20 0 DFADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)s1 ZINC000415008846 428488354 /nfs/dbraw/zinc/48/83/54/428488354.db2.gz SSDVCDZMGGCHKN-LLVKDONJSA-N 2 1 303.422 2.676 20 0 DFADMP CNC(=O)C[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000360920966 428491971 /nfs/dbraw/zinc/49/19/71/428491971.db2.gz BVGPUPAYUZGCJB-KRWDZBQOSA-N 2 1 317.477 2.716 20 0 DFADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000415033863 428493275 /nfs/dbraw/zinc/49/32/75/428493275.db2.gz CELHUKZMUSIZHV-PBHICJAKSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000415033863 428493280 /nfs/dbraw/zinc/49/32/80/428493280.db2.gz CELHUKZMUSIZHV-PBHICJAKSA-N 2 1 304.434 2.668 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000415029550 428494121 /nfs/dbraw/zinc/49/41/21/428494121.db2.gz DUBBJKKNJRIYSS-APWZRJJASA-N 3 1 319.468 2.550 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415045964 428497260 /nfs/dbraw/zinc/49/72/60/428497260.db2.gz URSOSPNTVWTUSR-ROUUACIJSA-N 3 1 303.494 2.862 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415045964 428497265 /nfs/dbraw/zinc/49/72/65/428497265.db2.gz URSOSPNTVWTUSR-ROUUACIJSA-N 2 1 303.494 2.862 20 0 DFADMP Clc1csc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415046026 428498799 /nfs/dbraw/zinc/49/87/99/428498799.db2.gz CGNLUBXKTUYSJC-UHFFFAOYSA-N 2 1 313.898 2.708 20 0 DFADMP CCOCc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000415049546 428499682 /nfs/dbraw/zinc/49/96/82/428499682.db2.gz BAMUKGABSAXFEE-RDTXWAMCSA-N 2 1 306.450 2.648 20 0 DFADMP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1OC ZINC000415053789 428500060 /nfs/dbraw/zinc/50/00/60/428500060.db2.gz PCRZYQWRAYJEOS-HOCLYGCPSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1OC ZINC000415053789 428500063 /nfs/dbraw/zinc/50/00/63/428500063.db2.gz PCRZYQWRAYJEOS-HOCLYGCPSA-N 2 1 304.434 2.668 20 0 DFADMP CCc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000372752708 428500287 /nfs/dbraw/zinc/50/02/87/428500287.db2.gz SRZQTUKCIZQGMV-GBESFXJTSA-N 2 1 302.462 2.933 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000342994882 428501731 /nfs/dbraw/zinc/50/17/31/428501731.db2.gz AIRYTKHQARIYTL-SJLPKXTDSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000342994882 428501736 /nfs/dbraw/zinc/50/17/36/428501736.db2.gz AIRYTKHQARIYTL-SJLPKXTDSA-N 2 1 314.408 2.728 20 0 DFADMP c1cc(C2CC2)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058107 428503638 /nfs/dbraw/zinc/50/36/38/428503638.db2.gz SJXLXNROGXZTPR-UHFFFAOYSA-N 2 1 313.489 2.870 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)C[C@@]1(C)C[NH3+] ZINC000415054841 428504865 /nfs/dbraw/zinc/50/48/65/428504865.db2.gz NERFHZYTEPXSLS-RDTXWAMCSA-N 2 1 305.441 2.843 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c(F)cccc2N2CCCC2)C[C@@]1(C)C[NH3+] ZINC000415054841 428504871 /nfs/dbraw/zinc/50/48/71/428504871.db2.gz NERFHZYTEPXSLS-RDTXWAMCSA-N 2 1 305.441 2.843 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000415131053 428531627 /nfs/dbraw/zinc/53/16/27/428531627.db2.gz RUQSZKMHBRSRRP-CABCVRRESA-N 2 1 305.441 2.843 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000415131053 428531631 /nfs/dbraw/zinc/53/16/31/428531631.db2.gz RUQSZKMHBRSRRP-CABCVRRESA-N 2 1 305.441 2.843 20 0 DFADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396708 428509847 /nfs/dbraw/zinc/50/98/47/428509847.db2.gz LOCKJTDZRNDLKS-CVYDXHPNSA-N 2 1 317.477 2.511 20 0 DFADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396708 428509852 /nfs/dbraw/zinc/50/98/52/428509852.db2.gz LOCKJTDZRNDLKS-CVYDXHPNSA-N 2 1 317.477 2.511 20 0 DFADMP OCc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415084614 428514978 /nfs/dbraw/zinc/51/49/78/428514978.db2.gz GYNANQHGTUPVPB-PKOBYXMFSA-N 2 1 314.404 2.901 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000398018167 428515095 /nfs/dbraw/zinc/51/50/95/428515095.db2.gz ILYVJPZVVZOJQB-XGXHKWSGSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398018167 428515100 /nfs/dbraw/zinc/51/51/00/428515100.db2.gz ILYVJPZVVZOJQB-XGXHKWSGSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000398063656 428517087 /nfs/dbraw/zinc/51/70/87/428517087.db2.gz XCMANEWGDKNIED-VQIMIIECSA-N 2 1 301.478 2.629 20 0 DFADMP Brc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)nc1 ZINC000415091146 428517070 /nfs/dbraw/zinc/51/70/70/428517070.db2.gz BTCLTFLECBJRIO-OAHLLOKOSA-N 2 1 324.266 2.981 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCCC[NH2+]1 ZINC000398038577 428518956 /nfs/dbraw/zinc/51/89/56/428518956.db2.gz QXPBLXHUBOQLRB-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000373183215 428520436 /nfs/dbraw/zinc/52/04/36/428520436.db2.gz OUKGZSFBHZQROD-SJLPKXTDSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000373183215 428520439 /nfs/dbraw/zinc/52/04/39/428520439.db2.gz OUKGZSFBHZQROD-SJLPKXTDSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000373183215 428520448 /nfs/dbraw/zinc/52/04/48/428520448.db2.gz OUKGZSFBHZQROD-SJLPKXTDSA-N 2 1 310.482 2.772 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000415102002 428520712 /nfs/dbraw/zinc/52/07/12/428520712.db2.gz CANJJVSOIXCION-ZBFHGGJFSA-N 2 1 306.450 2.899 20 0 DFADMP c1c(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc2ccccn12 ZINC000415104352 428520751 /nfs/dbraw/zinc/52/07/51/428520751.db2.gz LFPHGJXKJWNJGM-IEBWSBKVSA-N 2 1 320.440 2.960 20 0 DFADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353401871 428521309 /nfs/dbraw/zinc/52/13/09/428521309.db2.gz ISLASARVDYCNGQ-RBSFLKMASA-N 2 1 306.454 2.588 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@H]1C[NH3+] ZINC000415101988 428521983 /nfs/dbraw/zinc/52/19/83/428521983.db2.gz CAGKETGVTBNGNC-GDBMZVCRSA-N 2 1 304.482 2.885 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@H]1C[NH3+] ZINC000415101988 428521987 /nfs/dbraw/zinc/52/19/87/428521987.db2.gz CAGKETGVTBNGNC-GDBMZVCRSA-N 2 1 304.482 2.885 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415103269 428522151 /nfs/dbraw/zinc/52/21/51/428522151.db2.gz CZWYXWBZWXNTJC-YOEHRIQHSA-N 2 1 306.450 2.648 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000353409259 428523084 /nfs/dbraw/zinc/52/30/84/428523084.db2.gz WEVRBGMBFVVXJC-COXVUDFISA-N 2 1 310.388 2.806 20 0 DFADMP COCCSCCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000373246954 428525502 /nfs/dbraw/zinc/52/55/02/428525502.db2.gz PWNVFNLGJXBWGQ-QGZVFWFLSA-N 2 1 314.539 2.954 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415117013 428526670 /nfs/dbraw/zinc/52/66/70/428526670.db2.gz ZAQNJIJEXDZDMX-CQSZACIVSA-N 2 1 302.340 2.563 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000415117013 428526676 /nfs/dbraw/zinc/52/66/76/428526676.db2.gz ZAQNJIJEXDZDMX-CQSZACIVSA-N 2 1 302.340 2.563 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000415120884 428527267 /nfs/dbraw/zinc/52/72/67/428527267.db2.gz GMBOPBDQTVQJNV-HIFRSBDPSA-N 2 1 318.852 2.942 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000415120884 428527273 /nfs/dbraw/zinc/52/72/73/428527273.db2.gz GMBOPBDQTVQJNV-HIFRSBDPSA-N 2 1 318.852 2.942 20 0 DFADMP C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415127439 428529007 /nfs/dbraw/zinc/52/90/07/428529007.db2.gz NBUDIAZJPDGXGF-CRAIPNDOSA-N 2 1 319.497 2.980 20 0 DFADMP CC[C@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415126439 428529570 /nfs/dbraw/zinc/52/95/70/428529570.db2.gz MDKHXFYVQCZCJE-CRAIPNDOSA-N 2 1 313.449 2.568 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000415125512 428529929 /nfs/dbraw/zinc/52/99/29/428529929.db2.gz LIXZLCCBQPZDKD-OAHLLOKOSA-N 2 1 319.840 2.536 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414954405 428471241 /nfs/dbraw/zinc/47/12/41/428471241.db2.gz KPWIZWIONQSCGT-PXAZEXFGSA-N 2 1 318.852 2.922 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000414956184 428471295 /nfs/dbraw/zinc/47/12/95/428471295.db2.gz UZHBXPOZZUAJJZ-SWLSCSKDSA-N 2 1 304.825 2.756 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OCC(C)C ZINC000414953715 428472131 /nfs/dbraw/zinc/47/21/31/428472131.db2.gz RUXQWRNXVWNIDI-HOCLYGCPSA-N 2 1 306.450 2.960 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390749343 428474018 /nfs/dbraw/zinc/47/40/18/428474018.db2.gz RPYJJUTWKGFSOZ-WBVHZDCISA-N 2 1 319.493 2.647 20 0 DFADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414976953 428476806 /nfs/dbraw/zinc/47/68/06/428476806.db2.gz IVSHDTKYQQTDBT-AWEZNQCLSA-N 2 1 305.447 2.857 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353530477 428582004 /nfs/dbraw/zinc/58/20/04/428582004.db2.gz SRBUXTNPPDOTMP-TWMKSMIVSA-N 2 1 318.461 2.925 20 0 DFADMP C[N@H+]1CCCC12CCN(Cc1cccc(-n3cccn3)c1)CC2 ZINC000353548695 428587094 /nfs/dbraw/zinc/58/70/94/428587094.db2.gz MZQATXACKXIVFY-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000353548695 428587097 /nfs/dbraw/zinc/58/70/97/428587097.db2.gz MZQATXACKXIVFY-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](Cc1cccc(-n3cccn3)c1)CC2 ZINC000353548695 428587103 /nfs/dbraw/zinc/58/71/03/428587103.db2.gz MZQATXACKXIVFY-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358250908 428591161 /nfs/dbraw/zinc/59/11/61/428591161.db2.gz LVGKKTZNKINTLC-ABAIWWIYSA-N 2 1 317.260 2.581 20 0 DFADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358250908 428591168 /nfs/dbraw/zinc/59/11/68/428591168.db2.gz LVGKKTZNKINTLC-ABAIWWIYSA-N 2 1 317.260 2.581 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C1CC(N2CCCCC2)C1 ZINC000373496738 428591528 /nfs/dbraw/zinc/59/15/28/428591528.db2.gz QBIBAXTVFNQSBN-JLAWEPINSA-N 2 1 302.462 2.851 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373496738 428591533 /nfs/dbraw/zinc/59/15/33/428591533.db2.gz QBIBAXTVFNQSBN-JLAWEPINSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@H]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]1 ZINC000399063181 428533968 /nfs/dbraw/zinc/53/39/68/428533968.db2.gz ZPIJLMAAJAMMDS-NTHMGXEOSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C[C@H]1C[NH3+] ZINC000415138175 428535158 /nfs/dbraw/zinc/53/51/58/428535158.db2.gz YMJYWXXUERVHHM-DGCLKSJQSA-N 2 1 304.463 2.690 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C[C@H]1C[NH3+] ZINC000415138175 428535165 /nfs/dbraw/zinc/53/51/65/428535165.db2.gz YMJYWXXUERVHHM-DGCLKSJQSA-N 2 1 304.463 2.690 20 0 DFADMP CN(Cc1ccnn1-c1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000353446017 428538875 /nfs/dbraw/zinc/53/88/75/428538875.db2.gz FJXSUHOCDMGAOK-HNNXBMFYSA-N 2 1 316.424 2.785 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400331270 428542836 /nfs/dbraw/zinc/54/28/36/428542836.db2.gz DQPVUKJYFKVDCN-WDSOQIARSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400331270 428542843 /nfs/dbraw/zinc/54/28/43/428542843.db2.gz DQPVUKJYFKVDCN-WDSOQIARSA-N 2 1 315.505 2.875 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000361188276 428545845 /nfs/dbraw/zinc/54/58/45/428545845.db2.gz MRRYPEVEYPCQKM-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478456 428547151 /nfs/dbraw/zinc/54/71/51/428547151.db2.gz VQDVMDHKUPBIGC-RNINOARNSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478456 428547155 /nfs/dbraw/zinc/54/71/55/428547155.db2.gz VQDVMDHKUPBIGC-RNINOARNSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478456 428547158 /nfs/dbraw/zinc/54/71/58/428547158.db2.gz VQDVMDHKUPBIGC-RNINOARNSA-N 3 1 313.489 2.770 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1cccc(F)c1 ZINC000353460272 428549346 /nfs/dbraw/zinc/54/93/46/428549346.db2.gz KQDPKXVKBSSYCX-ZSYWTGECSA-N 2 1 319.468 2.891 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000353475953 428555026 /nfs/dbraw/zinc/55/50/26/428555026.db2.gz YECJUSSOFNBDHU-AYOQOUSVSA-N 2 1 323.440 2.638 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353475953 428555032 /nfs/dbraw/zinc/55/50/32/428555032.db2.gz YECJUSSOFNBDHU-AYOQOUSVSA-N 2 1 323.440 2.638 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000357718207 428558614 /nfs/dbraw/zinc/55/86/14/428558614.db2.gz WKBWTFXNBSPLNC-XHSDSOJGSA-N 2 1 323.525 2.922 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353492219 428562472 /nfs/dbraw/zinc/56/24/72/428562472.db2.gz UKKKZGOMLUEIQT-AWEZNQCLSA-N 2 1 310.511 2.822 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353492219 428562475 /nfs/dbraw/zinc/56/24/75/428562475.db2.gz UKKKZGOMLUEIQT-AWEZNQCLSA-N 2 1 310.511 2.822 20 0 DFADMP CC(C[NH+](C(C)C)[C@H]1CCOC1)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000361409490 428564667 /nfs/dbraw/zinc/56/46/67/428564667.db2.gz WDTRFMAUCTVLCF-ROUUACIJSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C[C@@H]1CC[NH2+]C1 ZINC000404334422 428565564 /nfs/dbraw/zinc/56/55/64/428565564.db2.gz BNYYXCOVGQISFU-MJQMVNBJSA-N 2 1 301.478 2.579 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)[C@@H]2CCC[C@@H]21 ZINC000353501041 428566444 /nfs/dbraw/zinc/56/64/44/428566444.db2.gz HQHBDYYSQVWNPJ-ULQDDVLXSA-N 2 1 319.518 2.569 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@@H]1CC[NH3+] ZINC000404356167 428568169 /nfs/dbraw/zinc/56/81/69/428568169.db2.gz LOXDLCXFWZHNSK-RDTXWAMCSA-N 2 1 315.461 2.563 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@@H]1CC[NH3+] ZINC000404356167 428568175 /nfs/dbraw/zinc/56/81/75/428568175.db2.gz LOXDLCXFWZHNSK-RDTXWAMCSA-N 2 1 315.461 2.563 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404372191 428569379 /nfs/dbraw/zinc/56/93/79/428569379.db2.gz JLDXWXJTMOWXEZ-RDJZCZTQSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000404372191 428569383 /nfs/dbraw/zinc/56/93/83/428569383.db2.gz JLDXWXJTMOWXEZ-RDJZCZTQSA-N 2 1 303.450 2.691 20 0 DFADMP CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000353506747 428570600 /nfs/dbraw/zinc/57/06/00/428570600.db2.gz ZGPGRPAJUGOFEE-VQIMIIECSA-N 2 1 304.478 2.992 20 0 DFADMP CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000353506744 428570972 /nfs/dbraw/zinc/57/09/72/428570972.db2.gz ZGPGRPAJUGOFEE-APWZRJJASA-N 2 1 304.478 2.992 20 0 DFADMP CC[N@@H+](CC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000357876098 428571093 /nfs/dbraw/zinc/57/10/93/428571093.db2.gz SKJGTSLHCIGHME-BEFAXECRSA-N 2 1 317.477 2.587 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522959 428576624 /nfs/dbraw/zinc/57/66/24/428576624.db2.gz SZAZQMUDYZOOFA-MSOLQXFVSA-N 2 1 317.477 2.623 20 0 DFADMP Cc1nc(C[NH+]2CCC(CNc3cc[nH+]cc3C)CC2)cs1 ZINC000373532538 428600644 /nfs/dbraw/zinc/60/06/44/428600644.db2.gz VFUMVUYDKLBIFO-UHFFFAOYSA-N 2 1 316.474 2.901 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000353575429 428601803 /nfs/dbraw/zinc/60/18/03/428601803.db2.gz ZZLOPBFEXMXUJR-QGZVFWFLSA-N 2 1 318.509 2.756 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000353575429 428601807 /nfs/dbraw/zinc/60/18/07/428601807.db2.gz ZZLOPBFEXMXUJR-QGZVFWFLSA-N 2 1 318.509 2.756 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC000361936086 428604754 /nfs/dbraw/zinc/60/47/54/428604754.db2.gz DVYCQZBUYDOXCH-LSDHHAIUSA-N 2 1 320.481 2.774 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC000361936086 428604759 /nfs/dbraw/zinc/60/47/59/428604759.db2.gz DVYCQZBUYDOXCH-LSDHHAIUSA-N 2 1 320.481 2.774 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889705 428616768 /nfs/dbraw/zinc/61/67/68/428616768.db2.gz CFEWGOYYLBDBTG-CQSZACIVSA-N 2 1 318.465 2.574 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)c1 ZINC000415907680 428621335 /nfs/dbraw/zinc/62/13/35/428621335.db2.gz BTGINYVHJMPCET-CABCVRRESA-N 2 1 318.465 2.743 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+](C)[C@@H](C)CC)c1 ZINC000415908215 428622758 /nfs/dbraw/zinc/62/27/58/428622758.db2.gz PENVUHJJBXWQBQ-AWEZNQCLSA-N 2 1 306.454 2.648 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000415902971 428622787 /nfs/dbraw/zinc/62/27/87/428622787.db2.gz PTTFPOLRMUWHNY-HUUCEWRRSA-N 2 1 318.465 2.648 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC[NH+]1CCCC1)CC2)C1CC1 ZINC000362106350 428624649 /nfs/dbraw/zinc/62/46/49/428624649.db2.gz NWZMHSRVUCLDDX-KRWDZBQOSA-N 3 1 305.510 2.669 20 0 DFADMP C[N@H+](C[C@@H]1CC12CCN(CCC[NH+]1CCCC1)CC2)C1CC1 ZINC000362106350 428624651 /nfs/dbraw/zinc/62/46/51/428624651.db2.gz NWZMHSRVUCLDDX-KRWDZBQOSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CCN(CCC[NH+]1CCCC1)CC2)C1CC1 ZINC000362106350 428624654 /nfs/dbraw/zinc/62/46/54/428624654.db2.gz NWZMHSRVUCLDDX-KRWDZBQOSA-N 2 1 305.510 2.669 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000353621583 428626008 /nfs/dbraw/zinc/62/60/08/428626008.db2.gz KOAXIXUBSJIGSY-LGWLGOQQSA-N 2 1 308.491 2.854 20 0 DFADMP CCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(C)n1 ZINC000353628702 428631444 /nfs/dbraw/zinc/63/14/44/428631444.db2.gz BWAZIROJPFGQDL-KSZLIROESA-N 2 1 304.482 2.954 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@H+]1CC ZINC000415941262 428633373 /nfs/dbraw/zinc/63/33/73/428633373.db2.gz FZZDKXSOIOYFMF-MRXNPFEDSA-N 2 1 318.465 2.744 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000353642001 428636656 /nfs/dbraw/zinc/63/66/56/428636656.db2.gz KINVGCNJVKQCJI-HYVNUMGLSA-N 2 1 316.493 2.900 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415981904 428639960 /nfs/dbraw/zinc/63/99/60/428639960.db2.gz WTOVCBWMMSWMAB-OAHLLOKOSA-N 2 1 318.465 2.779 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@H](C)C1 ZINC000415980129 428640466 /nfs/dbraw/zinc/64/04/66/428640466.db2.gz FWJJWEQBCMMOAS-RHSMWYFYSA-N 2 1 318.465 2.600 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000362199802 428657701 /nfs/dbraw/zinc/65/77/01/428657701.db2.gz KWOJHJIXLFAVNZ-ILXRZTDVSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000362199802 428657706 /nfs/dbraw/zinc/65/77/06/428657706.db2.gz KWOJHJIXLFAVNZ-ILXRZTDVSA-N 2 1 307.869 2.991 20 0 DFADMP Cn1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c2ccccc21 ZINC000353676374 428652302 /nfs/dbraw/zinc/65/23/02/428652302.db2.gz XQOWQKFPOSAIIG-ZVZYQTTQSA-N 2 1 312.461 2.578 20 0 DFADMP C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](C)O2 ZINC000373973981 428656431 /nfs/dbraw/zinc/65/64/31/428656431.db2.gz CNCVYPUKMCFLGX-XMTFNYHQSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[C@]2(CCO1)C[N@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](C)O2 ZINC000373973981 428656434 /nfs/dbraw/zinc/65/64/34/428656434.db2.gz CNCVYPUKMCFLGX-XMTFNYHQSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[C@]2(CCO1)C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](C)O2 ZINC000373973981 428656436 /nfs/dbraw/zinc/65/64/36/428656436.db2.gz CNCVYPUKMCFLGX-XMTFNYHQSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[C@]2(CCO1)C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](C)O2 ZINC000373973981 428656439 /nfs/dbraw/zinc/65/64/39/428656439.db2.gz CNCVYPUKMCFLGX-XMTFNYHQSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1C ZINC000174732279 274271702 /nfs/dbraw/zinc/27/17/02/274271702.db2.gz YQTSGUFBBDRSNP-QWHCGFSZSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1C ZINC000174732279 274271705 /nfs/dbraw/zinc/27/17/05/274271705.db2.gz YQTSGUFBBDRSNP-QWHCGFSZSA-N 2 1 319.836 2.780 20 0 DFADMP CO[C@@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOC1 ZINC000348223526 428662578 /nfs/dbraw/zinc/66/25/78/428662578.db2.gz SXKPVPZBBIICCU-RDTXWAMCSA-N 2 1 315.417 2.637 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccccc2F)C1 ZINC000293749554 274340541 /nfs/dbraw/zinc/34/05/41/274340541.db2.gz RFHKISSROWKPMY-KCYZZUKISA-N 2 1 305.441 2.723 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348305997 428699776 /nfs/dbraw/zinc/69/97/76/428699776.db2.gz LLCFWVXAOKAFPH-HSALFYBXSA-N 3 1 313.489 2.535 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348305997 428699781 /nfs/dbraw/zinc/69/97/81/428699781.db2.gz LLCFWVXAOKAFPH-HSALFYBXSA-N 2 1 313.489 2.535 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348305997 428699790 /nfs/dbraw/zinc/69/97/90/428699790.db2.gz LLCFWVXAOKAFPH-HSALFYBXSA-N 2 1 313.489 2.535 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000353764068 428704001 /nfs/dbraw/zinc/70/40/01/428704001.db2.gz XNMMWBLPUHOUKR-HOTGVXAUSA-N 2 1 318.465 2.531 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000353764068 428704007 /nfs/dbraw/zinc/70/40/07/428704007.db2.gz XNMMWBLPUHOUKR-HOTGVXAUSA-N 2 1 318.465 2.531 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374597120 428707137 /nfs/dbraw/zinc/70/71/37/428707137.db2.gz RUKSAZAMPDYYFK-MRXNPFEDSA-N 2 1 319.468 2.734 20 0 DFADMP C[C@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000374610764 428712606 /nfs/dbraw/zinc/71/26/06/428712606.db2.gz HTGLDMLYQFARPW-QZTJIDSGSA-N 2 1 315.505 2.890 20 0 DFADMP CN(C)c1cc(NC(=O)C[C@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000416171248 428681456 /nfs/dbraw/zinc/68/14/56/428681456.db2.gz OZRSGUHFGJQZKU-MRXNPFEDSA-N 2 1 312.417 2.779 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC000344673656 428690778 /nfs/dbraw/zinc/69/07/78/428690778.db2.gz LQTRZXMBVHPMJX-DLBZAZTESA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000344673656 428690784 /nfs/dbraw/zinc/69/07/84/428690784.db2.gz LQTRZXMBVHPMJX-DLBZAZTESA-N 2 1 317.477 2.526 20 0 DFADMP CCC[N@H+](CC(=O)NC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411186843 428755079 /nfs/dbraw/zinc/75/50/79/428755079.db2.gz PGCGVTUAPXKPFX-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP CCC[N@@H+](CC(=O)NC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411186843 428755085 /nfs/dbraw/zinc/75/50/85/428755085.db2.gz PGCGVTUAPXKPFX-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP CC(CC[NH+]1CCCO[C@H](C)C1)CC[N@H+]1CCCO[C@H](C)C1 ZINC000411219672 428762424 /nfs/dbraw/zinc/76/24/24/428762424.db2.gz QPGHWHWRLGWVSA-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000345136319 428768739 /nfs/dbraw/zinc/76/87/39/428768739.db2.gz DXPYGRYECQTQEH-UHFFFAOYSA-N 2 1 300.431 2.557 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000359019183 428774452 /nfs/dbraw/zinc/77/44/52/428774452.db2.gz ZTNSHHOXXSKCKH-LPHOPBHVSA-N 2 1 301.478 2.833 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000359019184 428774833 /nfs/dbraw/zinc/77/48/33/428774833.db2.gz ZTNSHHOXXSKCKH-QFBILLFUSA-N 2 1 301.478 2.833 20 0 DFADMP CCc1cccc(F)c1C[NH2+]CCCCN1CC[NH+](CC)CC1 ZINC000353918858 428777389 /nfs/dbraw/zinc/77/73/89/428777389.db2.gz UPOXFTDKBXSTTL-UHFFFAOYSA-N 2 1 321.484 2.895 20 0 DFADMP C[C@@H]1C[C@@H]1C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348561781 428787901 /nfs/dbraw/zinc/78/79/01/428787901.db2.gz YAOQXGCLVUDRDA-MISYRCLQSA-N 2 1 313.489 2.535 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000353951696 428791783 /nfs/dbraw/zinc/79/17/83/428791783.db2.gz QCJHBQRZIXFCSZ-HOTGVXAUSA-N 2 1 320.481 2.776 20 0 DFADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000353822839 428734600 /nfs/dbraw/zinc/73/46/00/428734600.db2.gz USAYAZJGXQAGFG-QFIPXVFZSA-N 2 1 322.518 2.918 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1(C(=O)OC)CCC1 ZINC000353837687 428743446 /nfs/dbraw/zinc/74/34/46/428743446.db2.gz CUOJEDLXDITLDU-ZFWWWQNUSA-N 2 1 307.438 2.539 20 0 DFADMP C[C@H](CC[NH+]1C[C@H](C)OC[C@H]1C)CC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145822 428746127 /nfs/dbraw/zinc/74/61/27/428746127.db2.gz MGWQDQBCPPKQLN-JCECYMMASA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1C[C@H](C)OC[C@@H]1C)CC[N@@H+]1C[C@H](C)OC[C@H]1C ZINC000411145822 428746131 /nfs/dbraw/zinc/74/61/31/428746131.db2.gz MGWQDQBCPPKQLN-JCECYMMASA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1C[C@H](C)OC[C@@H]1C)CC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000411145822 428746134 /nfs/dbraw/zinc/74/61/34/428746134.db2.gz MGWQDQBCPPKQLN-JCECYMMASA-N 2 1 312.498 2.621 20 0 DFADMP CCNC(=O)C[N@H+](CC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411147922 428748484 /nfs/dbraw/zinc/74/84/84/428748484.db2.gz QFLJIJJNDSJUPO-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP CCNC(=O)C[N@@H+](CC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411147922 428748490 /nfs/dbraw/zinc/74/84/90/428748490.db2.gz QFLJIJJNDSJUPO-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374966711 428795329 /nfs/dbraw/zinc/79/53/29/428795329.db2.gz XLGXKYGJXFGLFU-HCXYKTFWSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411456181 428798981 /nfs/dbraw/zinc/79/89/81/428798981.db2.gz YWZMTACGGRYDPS-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000359067290 428802346 /nfs/dbraw/zinc/80/23/46/428802346.db2.gz VWXKEDKWJWRWRT-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cc1 ZINC000411473878 428803660 /nfs/dbraw/zinc/80/36/60/428803660.db2.gz KXJZGXJGPWUHSS-KGLIPLIRSA-N 2 1 314.433 2.744 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000353987540 428804023 /nfs/dbraw/zinc/80/40/23/428804023.db2.gz PLIHUDYGGWSUES-LJQANCHMSA-N 2 1 316.493 2.510 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000353987540 428804031 /nfs/dbraw/zinc/80/40/31/428804031.db2.gz PLIHUDYGGWSUES-LJQANCHMSA-N 2 1 316.493 2.510 20 0 DFADMP C[C@H](O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411497272 428806557 /nfs/dbraw/zinc/80/65/57/428806557.db2.gz ODPJGJXEOHEJJH-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP CCCCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519788 428810149 /nfs/dbraw/zinc/81/01/49/428810149.db2.gz TXIWHCNKVPYIPE-JKSUJKDBSA-N 2 1 309.498 2.535 20 0 DFADMP CCCCCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519788 428810155 /nfs/dbraw/zinc/81/01/55/428810155.db2.gz TXIWHCNKVPYIPE-JKSUJKDBSA-N 2 1 309.498 2.535 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000345251382 428815874 /nfs/dbraw/zinc/81/58/74/428815874.db2.gz QCGMRXPXLHLTJQ-BRWVUGGUSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1nnc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)[nH]1 ZINC000411554718 428817882 /nfs/dbraw/zinc/81/78/82/428817882.db2.gz UKHZEEGTHRBDEO-JKIFEVAISA-N 2 1 313.449 2.674 20 0 DFADMP CC[NH+](CCC(C)CC[N@H+](CC)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000411750817 428852873 /nfs/dbraw/zinc/85/28/73/428852873.db2.gz ZTSXTMYLMLGWOB-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP c1ncc(CC[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)s1 ZINC000411578514 428820702 /nfs/dbraw/zinc/82/07/02/428820702.db2.gz SHAOKQCSEPVWSQ-CYBMUJFWSA-N 2 1 302.447 2.708 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000359116747 428824919 /nfs/dbraw/zinc/82/49/19/428824919.db2.gz QUWUUNZJOWZZEN-JKSUJKDBSA-N 2 1 320.506 2.637 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CO ZINC000411620006 428826164 /nfs/dbraw/zinc/82/61/64/428826164.db2.gz PJIDKLZSVOEUPN-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@H]21 ZINC000375229834 428827404 /nfs/dbraw/zinc/82/74/04/428827404.db2.gz POYJSAVQOQAWHL-VQIMIIECSA-N 2 1 310.445 2.707 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000345283331 428828707 /nfs/dbraw/zinc/82/87/07/428828707.db2.gz OWHKTZLAGRSACO-IRXDYDNUSA-N 2 1 308.853 2.837 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000345283331 428828714 /nfs/dbraw/zinc/82/87/14/428828714.db2.gz OWHKTZLAGRSACO-IRXDYDNUSA-N 2 1 308.853 2.837 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1F ZINC000354039578 428836447 /nfs/dbraw/zinc/83/64/47/428836447.db2.gz NIRZSUSXBDPEFZ-VQIMIIECSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1F ZINC000354039578 428836454 /nfs/dbraw/zinc/83/64/54/428836454.db2.gz NIRZSUSXBDPEFZ-VQIMIIECSA-N 2 1 319.468 2.592 20 0 DFADMP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411660872 428836676 /nfs/dbraw/zinc/83/66/76/428836676.db2.gz BANMIQZYHNOZER-SFHVURJKSA-N 2 1 302.462 2.875 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000348799414 428843199 /nfs/dbraw/zinc/84/31/99/428843199.db2.gz JZGZHXIONJFISW-CVEARBPZSA-N 2 1 323.868 2.543 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC000354106963 428865805 /nfs/dbraw/zinc/86/58/05/428865805.db2.gz NCHJQGOXDKWRRN-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)n1 ZINC000359227364 428874070 /nfs/dbraw/zinc/87/40/70/428874070.db2.gz LFXXPYOQELPMRP-INIZCTEOSA-N 2 1 303.450 2.625 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C)n1 ZINC000359227364 428874076 /nfs/dbraw/zinc/87/40/76/428874076.db2.gz LFXXPYOQELPMRP-INIZCTEOSA-N 2 1 303.450 2.625 20 0 DFADMP C[C@@H]1C[C@H](O)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877932 428874409 /nfs/dbraw/zinc/87/44/09/428874409.db2.gz QXEUBRNLTQXFCW-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000363190644 428879722 /nfs/dbraw/zinc/87/97/22/428879722.db2.gz XWFGDAQIEORCNJ-OKILXGFUSA-N 2 1 321.465 2.613 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000363190644 428879726 /nfs/dbraw/zinc/87/97/26/428879726.db2.gz XWFGDAQIEORCNJ-OKILXGFUSA-N 2 1 321.465 2.613 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)oc1C ZINC000363190643 428880110 /nfs/dbraw/zinc/88/01/10/428880110.db2.gz XWFGDAQIEORCNJ-KBPBESRZSA-N 2 1 321.465 2.613 20 0 DFADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccncc1 ZINC000348934362 428881685 /nfs/dbraw/zinc/88/16/85/428881685.db2.gz MHDCOTVOWJIWRG-UHFFFAOYSA-N 2 1 307.401 2.993 20 0 DFADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)Cc1ccncc1 ZINC000348934362 428881692 /nfs/dbraw/zinc/88/16/92/428881692.db2.gz MHDCOTVOWJIWRG-UHFFFAOYSA-N 2 1 307.401 2.993 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375466408 428892774 /nfs/dbraw/zinc/89/27/74/428892774.db2.gz UJCQKDLZHGNBKW-HNNXBMFYSA-N 2 1 315.421 2.722 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000375466408 428892780 /nfs/dbraw/zinc/89/27/80/428892780.db2.gz UJCQKDLZHGNBKW-HNNXBMFYSA-N 2 1 315.421 2.722 20 0 DFADMP CCOC(=O)c1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000375476087 428894893 /nfs/dbraw/zinc/89/48/93/428894893.db2.gz ZJSDPULDQNBWIA-UHFFFAOYSA-N 2 1 306.406 2.517 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)o1 ZINC000375476087 428894900 /nfs/dbraw/zinc/89/49/00/428894900.db2.gz ZJSDPULDQNBWIA-UHFFFAOYSA-N 2 1 306.406 2.517 20 0 DFADMP Cc1cccc([C@@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000363287518 428900001 /nfs/dbraw/zinc/90/00/01/428900001.db2.gz FUKWLLBUDMHRPN-IEBWSBKVSA-N 2 1 301.478 2.768 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984835 428900787 /nfs/dbraw/zinc/90/07/87/428900787.db2.gz NGCDORXRBQWCIQ-RTBURBONSA-N 2 1 314.473 2.711 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984835 428900791 /nfs/dbraw/zinc/90/07/91/428900791.db2.gz NGCDORXRBQWCIQ-RTBURBONSA-N 2 1 314.473 2.711 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984835 428900795 /nfs/dbraw/zinc/90/07/95/428900795.db2.gz NGCDORXRBQWCIQ-RTBURBONSA-N 2 1 314.473 2.711 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984835 428900798 /nfs/dbraw/zinc/90/07/98/428900798.db2.gz NGCDORXRBQWCIQ-RTBURBONSA-N 2 1 314.473 2.711 20 0 DFADMP COCCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000354178400 428900963 /nfs/dbraw/zinc/90/09/63/428900963.db2.gz WHLOEMIENYDODM-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000354178400 428900968 /nfs/dbraw/zinc/90/09/68/428900968.db2.gz WHLOEMIENYDODM-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000354178400 428900972 /nfs/dbraw/zinc/90/09/72/428900972.db2.gz WHLOEMIENYDODM-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000354178400 428900974 /nfs/dbraw/zinc/90/09/74/428900974.db2.gz WHLOEMIENYDODM-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP C[N@@H+](CCN1CCC[C@@H]([NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000363299811 428901237 /nfs/dbraw/zinc/90/12/37/428901237.db2.gz UCZUJVNCAKWHII-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP C[C@@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411991917 428903701 /nfs/dbraw/zinc/90/37/01/428903701.db2.gz ZELWTJGOGFMVTF-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP CN(CC[N@@H+](C)C[C@@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000349034676 428905727 /nfs/dbraw/zinc/90/57/27/428905727.db2.gz FCOHKGKIJWVMFQ-AZUAARDMSA-N 2 1 315.505 2.748 20 0 DFADMP CN(CCN(C)C1CC[NH+](C)CC1)Cc1ccsc1Cl ZINC000349063108 428912223 /nfs/dbraw/zinc/91/22/23/428912223.db2.gz OZHMEDZKPRAKJE-UHFFFAOYSA-N 2 1 315.914 2.859 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCCOc2ccccc2)C[C@H]1C ZINC000354211379 428918373 /nfs/dbraw/zinc/91/83/73/428918373.db2.gz WTSORJSWTDSNFW-QZTJIDSGSA-N 2 1 320.477 2.887 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCOc2ccccc2)C[C@H]1C ZINC000354211379 428918378 /nfs/dbraw/zinc/91/83/78/428918378.db2.gz WTSORJSWTDSNFW-QZTJIDSGSA-N 2 1 320.477 2.887 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCOc2ccccc2)C[C@H]1C ZINC000354211379 428918382 /nfs/dbraw/zinc/91/83/82/428918382.db2.gz WTSORJSWTDSNFW-QZTJIDSGSA-N 2 1 320.477 2.887 20 0 DFADMP COc1ccc([C@@H](O)[C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000363458700 428918699 /nfs/dbraw/zinc/91/86/99/428918699.db2.gz ACZWXJRZPHURQK-RTBURBONSA-N 2 1 318.461 2.679 20 0 DFADMP COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)cc1 ZINC000363460016 428919243 /nfs/dbraw/zinc/91/92/43/428919243.db2.gz VQJVBYHHHSGEKF-NEWSRXKRSA-N 2 1 318.461 2.677 20 0 DFADMP COc1ccc([C@H](O)[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000363460016 428919247 /nfs/dbraw/zinc/91/92/47/428919247.db2.gz VQJVBYHHHSGEKF-NEWSRXKRSA-N 2 1 318.461 2.677 20 0 DFADMP COc1ccc([C@H](O)[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)cc1 ZINC000363460016 428919252 /nfs/dbraw/zinc/91/92/52/428919252.db2.gz VQJVBYHHHSGEKF-NEWSRXKRSA-N 2 1 318.461 2.677 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000363451477 428919555 /nfs/dbraw/zinc/91/95/55/428919555.db2.gz ZDDNZNASLIVGMH-HOTGVXAUSA-N 2 1 320.481 2.899 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000363451477 428919557 /nfs/dbraw/zinc/91/95/57/428919557.db2.gz ZDDNZNASLIVGMH-HOTGVXAUSA-N 2 1 320.481 2.899 20 0 DFADMP CC[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000375608180 428921830 /nfs/dbraw/zinc/92/18/30/428921830.db2.gz QIEUVCSAQAGUEP-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC000359329931 428923162 /nfs/dbraw/zinc/92/31/62/428923162.db2.gz MUIUBRDKSNKYOH-CQSZACIVSA-N 2 1 323.506 2.804 20 0 DFADMP C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000412048090 428924342 /nfs/dbraw/zinc/92/43/42/428924342.db2.gz UAIFTYSJBVNAET-WBVHZDCISA-N 2 1 317.477 2.526 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2C)C[C@@H]1C ZINC000354224016 428925085 /nfs/dbraw/zinc/92/50/85/428925085.db2.gz MSPVORUCIDPYMX-HOTGVXAUSA-N 2 1 303.450 2.738 20 0 DFADMP CCN(C(=O)CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1)C1CCCCC1 ZINC000354223985 428925662 /nfs/dbraw/zinc/92/56/62/428925662.db2.gz MMTFNMDPUFRWDQ-FUHWJXTLSA-N 2 1 323.525 2.972 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000363480356 428925813 /nfs/dbraw/zinc/92/58/13/428925813.db2.gz XIZSPMWSTLYNSC-SJORKVTESA-N 2 1 304.482 2.955 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000363480356 428925816 /nfs/dbraw/zinc/92/58/16/428925816.db2.gz XIZSPMWSTLYNSC-SJORKVTESA-N 2 1 304.482 2.955 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000363480356 428925819 /nfs/dbraw/zinc/92/58/19/428925819.db2.gz XIZSPMWSTLYNSC-SJORKVTESA-N 2 1 304.482 2.955 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2OC)C[C@@H]1C ZINC000354224614 428925934 /nfs/dbraw/zinc/92/59/34/428925934.db2.gz NZQHHFJQNROLSO-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2OC)C[C@@H]1C ZINC000354224614 428925940 /nfs/dbraw/zinc/92/59/40/428925940.db2.gz NZQHHFJQNROLSO-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2OC)C[C@@H]1C ZINC000354224614 428925945 /nfs/dbraw/zinc/92/59/45/428925945.db2.gz NZQHHFJQNROLSO-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2OC)C[C@@H]1C ZINC000354224614 428925948 /nfs/dbraw/zinc/92/59/48/428925948.db2.gz NZQHHFJQNROLSO-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C[C@@H]1C ZINC000354223018 428927508 /nfs/dbraw/zinc/92/75/08/428927508.db2.gz KRNKJGWEZKVUEI-IECFSIQFSA-N 2 1 323.525 2.732 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CCOc2ccccc2OC)C[C@H]1C ZINC000354224613 428928191 /nfs/dbraw/zinc/92/81/91/428928191.db2.gz NZQHHFJQNROLSO-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2OC)C[C@H]1C ZINC000354224613 428928196 /nfs/dbraw/zinc/92/81/96/428928196.db2.gz NZQHHFJQNROLSO-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2OC)C[C@H]1C ZINC000354224613 428928200 /nfs/dbraw/zinc/92/82/00/428928200.db2.gz NZQHHFJQNROLSO-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2OC)C[C@H]1C ZINC000354224613 428928204 /nfs/dbraw/zinc/92/82/04/428928204.db2.gz NZQHHFJQNROLSO-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226424 428928670 /nfs/dbraw/zinc/92/86/70/428928670.db2.gz WCGLDQXVOHYUMX-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H](O)CCC(C)C)C2)c1 ZINC000375638899 428929638 /nfs/dbraw/zinc/92/96/38/428929638.db2.gz KRDJBNVJPOGOHG-SJORKVTESA-N 2 1 305.466 2.921 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H](O)CCC(C)C)C2)c1 ZINC000375638899 428929644 /nfs/dbraw/zinc/92/96/44/428929644.db2.gz KRDJBNVJPOGOHG-SJORKVTESA-N 2 1 305.466 2.921 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)CC1 ZINC000349157588 428931806 /nfs/dbraw/zinc/93/18/06/428931806.db2.gz ZATMBSCTADGVQE-GFCCVEGCSA-N 2 1 316.371 2.592 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)CC1 ZINC000349157588 428931812 /nfs/dbraw/zinc/93/18/12/428931812.db2.gz ZATMBSCTADGVQE-GFCCVEGCSA-N 2 1 316.371 2.592 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000349178792 428934300 /nfs/dbraw/zinc/93/43/00/428934300.db2.gz BNWPZPDBLMWPMI-VGSWGCGISA-N 2 1 320.502 2.588 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000375661058 428934676 /nfs/dbraw/zinc/93/46/76/428934676.db2.gz BBKUNBMCHOLJCA-HCXYKTFWSA-N 2 1 314.473 2.912 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C)n2n1 ZINC000363532335 428936124 /nfs/dbraw/zinc/93/61/24/428936124.db2.gz AHAZQICIECHALQ-NUEKZKHPSA-N 2 1 313.449 2.624 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(C)n2n1 ZINC000363532335 428936132 /nfs/dbraw/zinc/93/61/32/428936132.db2.gz AHAZQICIECHALQ-NUEKZKHPSA-N 2 1 313.449 2.624 20 0 DFADMP CCn1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000375698766 428945917 /nfs/dbraw/zinc/94/59/17/428945917.db2.gz SQLAJAZYOJRIMW-LJQANCHMSA-N 2 1 318.509 2.889 20 0 DFADMP CCn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000375698766 428945921 /nfs/dbraw/zinc/94/59/21/428945921.db2.gz SQLAJAZYOJRIMW-LJQANCHMSA-N 2 1 318.509 2.889 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1 ZINC000363585680 428948171 /nfs/dbraw/zinc/94/81/71/428948171.db2.gz CQMXIHWODMWKFM-FGTMMUONSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363585680 428948177 /nfs/dbraw/zinc/94/81/77/428948177.db2.gz CQMXIHWODMWKFM-FGTMMUONSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000363585680 428948181 /nfs/dbraw/zinc/94/81/81/428948181.db2.gz CQMXIHWODMWKFM-FGTMMUONSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](F)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000375714598 428950671 /nfs/dbraw/zinc/95/06/71/428950671.db2.gz PDSJJEPWDCPDTH-INIZCTEOSA-N 2 1 313.505 2.863 20 0 DFADMP C[C@H](F)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375714598 428950675 /nfs/dbraw/zinc/95/06/75/428950675.db2.gz PDSJJEPWDCPDTH-INIZCTEOSA-N 3 1 313.505 2.863 20 0 DFADMP C[C@H](F)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375714598 428950682 /nfs/dbraw/zinc/95/06/82/428950682.db2.gz PDSJJEPWDCPDTH-INIZCTEOSA-N 3 1 313.505 2.863 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000354284153 428955391 /nfs/dbraw/zinc/95/53/91/428955391.db2.gz WEYMZUTYYSASNH-TZMCWYRMSA-N 2 1 304.463 2.721 20 0 DFADMP COc1ccc([C@@H]2[C@@H](C[NH2+]CC3(C)COC3)CCC[N@@H+]2C)cc1 ZINC000375740226 428959981 /nfs/dbraw/zinc/95/99/81/428959981.db2.gz FBADFPBDNUWCDV-SJLPKXTDSA-N 2 1 318.461 2.704 20 0 DFADMP COc1ccc([C@@H]2[C@@H](C[NH2+]CC3(C)COC3)CCC[N@H+]2C)cc1 ZINC000375740226 428959983 /nfs/dbraw/zinc/95/99/83/428959983.db2.gz FBADFPBDNUWCDV-SJLPKXTDSA-N 2 1 318.461 2.704 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCOC[C@H]3C)sc2C1 ZINC000375750734 428960855 /nfs/dbraw/zinc/96/08/55/428960855.db2.gz NYIXFGTYTLUIEO-KGLIPLIRSA-N 2 1 323.506 2.672 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCOC[C@H]3C)sc2C1 ZINC000375750734 428960858 /nfs/dbraw/zinc/96/08/58/428960858.db2.gz NYIXFGTYTLUIEO-KGLIPLIRSA-N 2 1 323.506 2.672 20 0 DFADMP CC1(C)CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000433244383 429016879 /nfs/dbraw/zinc/01/68/79/429016879.db2.gz XRVLMUXXLGYEET-SFHVURJKSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423797556 429023347 /nfs/dbraw/zinc/02/33/47/429023347.db2.gz HXVLVSPADVOSPO-CGTJXYLNSA-N 2 1 317.477 2.559 20 0 DFADMP Cc1cc(F)ccc1[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000451987073 429031840 /nfs/dbraw/zinc/03/18/40/429031840.db2.gz JGNGFUVMVTWKHQ-AEFFLSMTSA-N 2 1 306.425 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000451987073 429031844 /nfs/dbraw/zinc/03/18/44/429031844.db2.gz JGNGFUVMVTWKHQ-AEFFLSMTSA-N 2 1 306.425 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000451987073 429031848 /nfs/dbraw/zinc/03/18/48/429031848.db2.gz JGNGFUVMVTWKHQ-AEFFLSMTSA-N 2 1 306.425 2.726 20 0 DFADMP CCN(C)c1ccc(C[N@H+](CC)CCC[NH+]2CCCC2)cn1 ZINC000349374790 428974158 /nfs/dbraw/zinc/97/41/58/428974158.db2.gz ZKKNXLQQDGXBDF-UHFFFAOYSA-N 2 1 304.482 2.846 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](CC)CCC[NH+]2CCCC2)cn1 ZINC000349374790 428974166 /nfs/dbraw/zinc/97/41/66/428974166.db2.gz ZKKNXLQQDGXBDF-UHFFFAOYSA-N 2 1 304.482 2.846 20 0 DFADMP CC(C)[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CS1 ZINC000433025213 428979999 /nfs/dbraw/zinc/97/99/99/428979999.db2.gz IXJIQIYCNQHHCQ-OWCLPIDISA-N 2 1 300.512 2.607 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000354409428 428980555 /nfs/dbraw/zinc/98/05/55/428980555.db2.gz SLFLIVVDYIUAQE-ROUUACIJSA-N 2 1 323.525 2.878 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1cnc(-c2ccncc2)s1 ZINC000349406103 428982454 /nfs/dbraw/zinc/98/24/54/428982454.db2.gz KCESCADEYSKGQX-UHFFFAOYSA-N 2 1 313.430 2.924 20 0 DFADMP CC(C)NC(=O)CC[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375815961 428984975 /nfs/dbraw/zinc/98/49/75/428984975.db2.gz RDMNMMULXHKZFE-HNNXBMFYSA-N 2 1 306.454 2.558 20 0 DFADMP C[N@H+]1CC[C@H](NCc2nnc(C(C)(C)C)s2)[C@H]2CCC[C@@H]21 ZINC000375841106 428994245 /nfs/dbraw/zinc/99/42/45/428994245.db2.gz RBFIKHWQSBHRKJ-AGIUHOORSA-N 2 1 308.495 2.798 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)CCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423695018 428998480 /nfs/dbraw/zinc/99/84/80/428998480.db2.gz LBTSAWLCWOMHGN-DOTOQJQBSA-N 2 1 305.466 2.531 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC(C)C)[C@@H]1C ZINC000354571492 428999749 /nfs/dbraw/zinc/99/97/49/428999749.db2.gz QBZLKGWBBBWEHK-QZWWFDLISA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC(C)C)[C@@H]1C ZINC000354571492 428999754 /nfs/dbraw/zinc/99/97/54/428999754.db2.gz QBZLKGWBBBWEHK-QZWWFDLISA-N 2 1 310.482 2.674 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354663792 429001401 /nfs/dbraw/zinc/00/14/01/429001401.db2.gz YUGBJNJTPTUSMS-FUTJPDQTSA-N 2 1 314.882 2.550 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354663792 429001403 /nfs/dbraw/zinc/00/14/03/429001403.db2.gz YUGBJNJTPTUSMS-FUTJPDQTSA-N 2 1 314.882 2.550 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000423725907 429004686 /nfs/dbraw/zinc/00/46/86/429004686.db2.gz IXBGWEGPKNFLKD-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1-n1ccnn1 ZINC000375890357 429006967 /nfs/dbraw/zinc/00/69/67/429006967.db2.gz SCPHKPRPIBJISS-XHSDSOJGSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnc1 ZINC000354791690 429009579 /nfs/dbraw/zinc/00/95/79/429009579.db2.gz IBJRBYORXGUOCO-ZACQAIPSSA-N 2 1 318.465 2.557 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423764411 429010829 /nfs/dbraw/zinc/01/08/29/429010829.db2.gz SWAKQHYBSPIFPD-WMZOPIPTSA-N 2 1 309.498 2.617 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000423768284 429014237 /nfs/dbraw/zinc/01/42/37/429014237.db2.gz XANXUIWGPBPXCR-GOSISDBHSA-N 2 1 317.477 2.718 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423438352 429089627 /nfs/dbraw/zinc/08/96/27/429089627.db2.gz RIJRWLBAKJWXDB-DYVFJYSZSA-N 2 1 312.417 2.516 20 0 DFADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1(C)C ZINC000423464455 429091961 /nfs/dbraw/zinc/09/19/61/429091961.db2.gz BJTXEXWMLLGMQB-MELADBBJSA-N 2 1 304.425 2.661 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cnccn1 ZINC000423464669 429092266 /nfs/dbraw/zinc/09/22/66/429092266.db2.gz GVILKTCGTJXJLG-UKPHBRMFSA-N 2 1 314.408 2.660 20 0 DFADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000434499350 429093485 /nfs/dbraw/zinc/09/34/85/429093485.db2.gz YAGRMQUDUNMJSO-OALUTQOASA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000434499350 429093487 /nfs/dbraw/zinc/09/34/87/429093487.db2.gz YAGRMQUDUNMJSO-OALUTQOASA-N 2 1 317.477 2.795 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000434499350 429093491 /nfs/dbraw/zinc/09/34/91/429093491.db2.gz YAGRMQUDUNMJSO-OALUTQOASA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000434499350 429093493 /nfs/dbraw/zinc/09/34/93/429093493.db2.gz YAGRMQUDUNMJSO-OALUTQOASA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000434499350 429093496 /nfs/dbraw/zinc/09/34/96/429093496.db2.gz YAGRMQUDUNMJSO-OALUTQOASA-N 2 1 317.477 2.795 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(Cl)cc1 ZINC000423475897 429094441 /nfs/dbraw/zinc/09/44/41/429094441.db2.gz KTVLHOVCFYTKHN-JSGCOSHPSA-N 2 1 318.795 2.862 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507247 429035729 /nfs/dbraw/zinc/03/57/29/429035729.db2.gz AQMFGSQQSOKQKR-BBRMVZONSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507247 429035732 /nfs/dbraw/zinc/03/57/32/429035732.db2.gz AQMFGSQQSOKQKR-BBRMVZONSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000452005807 429037166 /nfs/dbraw/zinc/03/71/66/429037166.db2.gz KMCCIQXJGXYZOH-NVXWUHKLSA-N 2 1 317.477 2.668 20 0 DFADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCCCC1 ZINC000421859319 429040259 /nfs/dbraw/zinc/04/02/59/429040259.db2.gz SKAXTVVTWXWYEK-IAGOWNOFSA-N 2 1 312.498 2.815 20 0 DFADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278039 429055523 /nfs/dbraw/zinc/05/55/23/429055523.db2.gz QKAYFJYRXGVGST-MLGOLLRUSA-N 2 1 304.438 2.604 20 0 DFADMP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423282362 429055746 /nfs/dbraw/zinc/05/57/46/429055746.db2.gz VVZNPTSRBAMQOV-IYWMVGAKSA-N 2 1 315.505 2.860 20 0 DFADMP Brc1ccc2c(c1)[C@@H]([NH2+]CC1C[NH2+]C1)CCS2 ZINC000423302809 429059408 /nfs/dbraw/zinc/05/94/08/429059408.db2.gz KQQOHFRUCYNAAJ-LBPRGKRZSA-N 2 1 313.264 2.795 20 0 DFADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC(C)(C)C1 ZINC000452103288 429059468 /nfs/dbraw/zinc/05/94/68/429059468.db2.gz KFIQSARKXCJLGY-UHFFFAOYSA-N 2 1 321.509 2.628 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH3+])c(Br)c1 ZINC000423313276 429063612 /nfs/dbraw/zinc/06/36/12/429063612.db2.gz WURFGVIMTJVZRU-NXEZZACHSA-N 2 1 301.228 2.703 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423327497 429064387 /nfs/dbraw/zinc/06/43/87/429064387.db2.gz NFYXWJPOBKKSJG-GUDVDZBRSA-N 3 1 301.478 2.616 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119523 429064627 /nfs/dbraw/zinc/06/46/27/429064627.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 2 1 321.431 2.819 20 0 DFADMP C[NH+](CC[C@@H]1CCC[N@@H+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119523 429064628 /nfs/dbraw/zinc/06/46/28/429064628.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 2 1 321.431 2.819 20 0 DFADMP C[NH+](CC[C@@H]1CCC[N@H+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119523 429064631 /nfs/dbraw/zinc/06/46/31/429064631.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 2 1 321.431 2.819 20 0 DFADMP CN(CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452119523 429064633 /nfs/dbraw/zinc/06/46/33/429064633.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 2 1 321.431 2.819 20 0 DFADMP CN(CC[C@@H]1CCC[N@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452119523 429064636 /nfs/dbraw/zinc/06/46/36/429064636.db2.gz QGOXRLDBSXZEKR-AWEZNQCLSA-N 2 1 321.431 2.819 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334741 429067398 /nfs/dbraw/zinc/06/73/98/429067398.db2.gz FXPWPQZKCKQRGX-ACDBMABISA-N 3 1 311.473 2.691 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334741 429067403 /nfs/dbraw/zinc/06/74/03/429067403.db2.gz FXPWPQZKCKQRGX-ACDBMABISA-N 2 1 311.473 2.691 20 0 DFADMP C[C@H](C[NH3+])N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423331991 429068319 /nfs/dbraw/zinc/06/83/19/429068319.db2.gz QPVIQIMSMBVGLR-NXWXRZEISA-N 2 1 301.478 2.614 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423335337 429068526 /nfs/dbraw/zinc/06/85/26/429068526.db2.gz RQPHWFOSTOSWHQ-ZWKOTPCHSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423335337 429068530 /nfs/dbraw/zinc/06/85/30/429068530.db2.gz RQPHWFOSTOSWHQ-ZWKOTPCHSA-N 3 1 301.478 2.801 20 0 DFADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000423332802 429068695 /nfs/dbraw/zinc/06/86/95/429068695.db2.gz PKELQWFWOLQJEN-HLLBOEOZSA-N 2 1 309.498 2.663 20 0 DFADMP [NH3+]CC(F)(F)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423348384 429070658 /nfs/dbraw/zinc/07/06/58/429070658.db2.gz STPAMSOKKRPTGA-ZACQAIPSSA-N 2 1 323.431 2.613 20 0 DFADMP [NH3+]CC(F)(F)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423348384 429070662 /nfs/dbraw/zinc/07/06/62/429070662.db2.gz STPAMSOKKRPTGA-ZACQAIPSSA-N 2 1 323.431 2.613 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423361858 429071304 /nfs/dbraw/zinc/07/13/04/429071304.db2.gz SHPWNHIPHGWURQ-ZGXWSNOMSA-N 2 1 313.489 2.629 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H](C)[NH3+] ZINC000423359876 429071519 /nfs/dbraw/zinc/07/15/19/429071519.db2.gz PUHYRJOPVYTESO-FJIDUMEYSA-N 2 1 323.525 2.719 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366784 429074855 /nfs/dbraw/zinc/07/48/55/429074855.db2.gz QJOUDSOKEZIOKR-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366784 429074858 /nfs/dbraw/zinc/07/48/58/429074858.db2.gz QJOUDSOKEZIOKR-QRQLOZEOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366784 429074863 /nfs/dbraw/zinc/07/48/63/429074863.db2.gz QJOUDSOKEZIOKR-QRQLOZEOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366784 429074868 /nfs/dbraw/zinc/07/48/68/429074868.db2.gz QJOUDSOKEZIOKR-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423374610 429077003 /nfs/dbraw/zinc/07/70/03/429077003.db2.gz XGGABPGXCAJCOD-QXSJWSMHSA-N 2 1 317.477 2.803 20 0 DFADMP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423382993 429077820 /nfs/dbraw/zinc/07/78/20/429077820.db2.gz OZBGHTQZHNEJNQ-BTHPGYMESA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423374751 429077900 /nfs/dbraw/zinc/07/79/00/429077900.db2.gz IIYXEKSZQQWJBS-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423374751 429077903 /nfs/dbraw/zinc/07/79/03/429077903.db2.gz IIYXEKSZQQWJBS-KCITZHQASA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423374751 429077906 /nfs/dbraw/zinc/07/79/06/429077906.db2.gz IIYXEKSZQQWJBS-KCITZHQASA-N 3 1 301.478 2.627 20 0 DFADMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423383956 429080184 /nfs/dbraw/zinc/08/01/84/429080184.db2.gz PNPLMPOHGBYPML-ABAIWWIYSA-N 2 1 311.267 2.894 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423408383 429081785 /nfs/dbraw/zinc/08/17/85/429081785.db2.gz XJZXBPNWRIMWCO-XMCHAPAWSA-N 2 1 309.457 2.912 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1 ZINC000424049461 429082978 /nfs/dbraw/zinc/08/29/78/429082978.db2.gz VQEKBHYZHWTZBB-UHFFFAOYSA-N 2 1 305.466 2.776 20 0 DFADMP COC[C@]1(C[NH2+][C@@H]2C[C@H](Oc3ccccc3)C2(C)C)CCC[NH2+]1 ZINC000423418075 429086084 /nfs/dbraw/zinc/08/60/84/429086084.db2.gz UDAQLXACZBIQLG-ZIFCJYIRSA-N 2 1 318.461 2.591 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)[C@H](C)[NH3+] ZINC000423435374 429087249 /nfs/dbraw/zinc/08/72/49/429087249.db2.gz DQGZXBIVEISECK-DAROEXNTSA-N 2 1 301.203 2.901 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000423434557 429087551 /nfs/dbraw/zinc/08/75/51/429087551.db2.gz ODNAUPVQPYXCMJ-ZBFHGGJFSA-N 2 1 315.461 2.510 20 0 DFADMP Clc1cccc([C@@H](Cc2cccnc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423445967 429088573 /nfs/dbraw/zinc/08/85/73/429088573.db2.gz YLSGRXUKSCWASD-XDNAFOTISA-N 2 1 313.832 2.826 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C/c2ccncc2)CC1 ZINC000487274130 429146044 /nfs/dbraw/zinc/14/60/44/429146044.db2.gz GCXBHASUYNNYHK-ONEGZZNKSA-N 2 1 303.450 2.574 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@H](C)C1 ZINC000487265820 429146181 /nfs/dbraw/zinc/14/61/81/429146181.db2.gz BLUHOANRXORCKW-VSNBLRCJSA-N 2 1 317.477 2.821 20 0 DFADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000494706617 429147632 /nfs/dbraw/zinc/14/76/32/429147632.db2.gz FYCYABOENDIDAF-WFASDCNBSA-N 2 1 311.857 2.576 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC1(C)C ZINC000487290647 429147747 /nfs/dbraw/zinc/14/77/47/429147747.db2.gz CPQYEBDYBYWJPS-WZGPROSRSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC1(C)C ZINC000487290647 429147752 /nfs/dbraw/zinc/14/77/52/429147752.db2.gz CPQYEBDYBYWJPS-WZGPROSRSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000487319659 429150059 /nfs/dbraw/zinc/15/00/59/429150059.db2.gz MPCLGAFBUXTVMH-IEZWGBDMSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000487319659 429150063 /nfs/dbraw/zinc/15/00/63/429150063.db2.gz MPCLGAFBUXTVMH-IEZWGBDMSA-N 2 1 302.462 2.648 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000363998110 429154656 /nfs/dbraw/zinc/15/46/56/429154656.db2.gz KGDLUQBWBCLXRJ-OAHLLOKOSA-N 2 1 310.445 2.546 20 0 DFADMP CC(C)(O)C[N@@H+]1CCCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000363997315 429155646 /nfs/dbraw/zinc/15/56/46/429155646.db2.gz IFJQEHPFBHKVDR-UHFFFAOYSA-N 2 1 317.408 2.657 20 0 DFADMP CC(C)(O)C[N@H+]1CCCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000363997315 429155650 /nfs/dbraw/zinc/15/56/50/429155650.db2.gz IFJQEHPFBHKVDR-UHFFFAOYSA-N 2 1 317.408 2.657 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncn2C(C)C)[C@H](C)C1 ZINC000424140430 429099212 /nfs/dbraw/zinc/09/92/12/429099212.db2.gz FYPWSDQRWHGQTM-SJLPKXTDSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncn2C(C)C)[C@H](C)C1 ZINC000424140430 429099215 /nfs/dbraw/zinc/09/92/15/429099215.db2.gz FYPWSDQRWHGQTM-SJLPKXTDSA-N 2 1 322.497 2.691 20 0 DFADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000376361140 429099659 /nfs/dbraw/zinc/09/96/59/429099659.db2.gz RODMNRBDSBPCGU-RCCFBDPRSA-N 2 1 312.498 2.671 20 0 DFADMP FCCC[C@@H]1CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423500515 429101317 /nfs/dbraw/zinc/10/13/17/429101317.db2.gz APKJWZZENOKYHK-BFWZDYSYSA-N 2 1 311.489 2.711 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423501640 429101669 /nfs/dbraw/zinc/10/16/69/429101669.db2.gz BNIGKLDZCNOPMN-SPYBWZPUSA-N 2 1 320.477 2.860 20 0 DFADMP FCCC[C@@H]1CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423500519 429101888 /nfs/dbraw/zinc/10/18/88/429101888.db2.gz APKJWZZENOKYHK-FCCDEINASA-N 2 1 311.489 2.711 20 0 DFADMP COc1ccc2c(c1)[C@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CCCO2 ZINC000423502571 429102002 /nfs/dbraw/zinc/10/20/02/429102002.db2.gz CXTSLRSDBYNUNE-MZMPZRCHSA-N 2 1 304.434 2.826 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)[C@H]1Oc1ccccc1 ZINC000423500504 429102212 /nfs/dbraw/zinc/10/22/12/429102212.db2.gz KIGWMLAKZATOPN-WJFTUGDTSA-N 2 1 318.461 2.719 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423501716 429102269 /nfs/dbraw/zinc/10/22/69/429102269.db2.gz LMYUXNQIYHOFTK-DJJJIMSYSA-N 2 1 312.461 2.762 20 0 DFADMP COc1ccc2c(c1)[C@@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CCCO2 ZINC000423502574 429102377 /nfs/dbraw/zinc/10/23/77/429102377.db2.gz CXTSLRSDBYNUNE-RPVQJOFSSA-N 2 1 304.434 2.826 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1OCC ZINC000423514761 429105633 /nfs/dbraw/zinc/10/56/33/429105633.db2.gz MRRCMHWMMJOJMD-GDBMZVCRSA-N 2 1 322.449 2.513 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1)C1CC1 ZINC000434704141 429106703 /nfs/dbraw/zinc/10/67/03/429106703.db2.gz XGPLKVGUPORYFQ-KBXCAEBGSA-N 2 1 315.461 2.541 20 0 DFADMP Cc1ccsc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423526450 429107896 /nfs/dbraw/zinc/10/78/96/429107896.db2.gz ZINYGHLZRMHUFO-QQFBHYJXSA-N 2 1 307.507 2.924 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000423527361 429107941 /nfs/dbraw/zinc/10/79/41/429107941.db2.gz VSHMOLGTKAAPSK-NXHRZFHOSA-N 2 1 321.896 2.544 20 0 DFADMP COc1cccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423523547 429108326 /nfs/dbraw/zinc/10/83/26/429108326.db2.gz WCECEGKYAVADOI-ZLPCBKJTSA-N 2 1 317.477 2.562 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423526627 429108858 /nfs/dbraw/zinc/10/88/58/429108858.db2.gz ZRNNHUIYKDLEGH-AFMYVXGZSA-N 2 1 313.489 2.788 20 0 DFADMP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423529249 429109898 /nfs/dbraw/zinc/10/98/98/429109898.db2.gz XMFMNFUEDUIIKA-IINYFYTJSA-N 2 1 315.244 2.949 20 0 DFADMP Cc1nn(C)c2sc([C@H](C)[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc12 ZINC000423531577 429110026 /nfs/dbraw/zinc/11/00/26/429110026.db2.gz YDJLYMGKWMTKLL-RSAASHCRSA-N 2 1 306.479 2.921 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534098 429110353 /nfs/dbraw/zinc/11/03/53/429110353.db2.gz VDDPSGAYUPAZBC-KDOFPFPSSA-N 2 1 306.450 2.880 20 0 DFADMP COC(=O)CC1CC([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000424256622 429114710 /nfs/dbraw/zinc/11/47/10/429114710.db2.gz ARRYSFYJYYEWKL-UHFFFAOYSA-N 2 1 318.461 2.958 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000376470662 429117332 /nfs/dbraw/zinc/11/73/32/429117332.db2.gz FVSCEOVUJRECOI-MGNMYUMUSA-N 2 1 302.466 2.536 20 0 DFADMP CC(C)n1ncc2c1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000376470663 429118155 /nfs/dbraw/zinc/11/81/55/429118155.db2.gz FVSCEOVUJRECOI-XYTVBORESA-N 2 1 302.466 2.536 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2CCOCCOc1ccccc1 ZINC000435003290 429118206 /nfs/dbraw/zinc/11/82/06/429118206.db2.gz LSHHHXXNBXGQRK-MSOLQXFVSA-N 2 1 318.461 2.641 20 0 DFADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2CCOCCOc1ccccc1 ZINC000435003290 429118209 /nfs/dbraw/zinc/11/82/09/429118209.db2.gz LSHHHXXNBXGQRK-MSOLQXFVSA-N 2 1 318.461 2.641 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3cccnc3s1)CC[NH2+]CC2 ZINC000424295961 429121351 /nfs/dbraw/zinc/12/13/51/429121351.db2.gz RTQIIZIZKORHBH-GFCCVEGCSA-N 2 1 302.447 2.655 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424302507 429122697 /nfs/dbraw/zinc/12/26/97/429122697.db2.gz ZRNROZUIYVGNIE-OAHLLOKOSA-N 2 1 315.461 2.706 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424305472 429122821 /nfs/dbraw/zinc/12/28/21/429122821.db2.gz SJWJCYHWKZEGAX-GOSISDBHSA-N 3 1 315.436 2.719 20 0 DFADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424305472 429122824 /nfs/dbraw/zinc/12/28/24/429122824.db2.gz SJWJCYHWKZEGAX-GOSISDBHSA-N 3 1 315.436 2.719 20 0 DFADMP c1ccc(CN2CC[C@H]3C[N@H+](CCC4CC[NH2+]CC4)C[C@H]32)cc1 ZINC000424340700 429129432 /nfs/dbraw/zinc/12/94/32/429129432.db2.gz YSJLOIPIJBMOEQ-VQTJNVASSA-N 2 1 313.489 2.582 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000435331565 429130730 /nfs/dbraw/zinc/13/07/30/429130730.db2.gz IBXAKPCTYVYYJK-KSZLIROESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000435331565 429130733 /nfs/dbraw/zinc/13/07/33/429130733.db2.gz IBXAKPCTYVYYJK-KSZLIROESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000435331565 429130736 /nfs/dbraw/zinc/13/07/36/429130736.db2.gz IBXAKPCTYVYYJK-KSZLIROESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000424371337 429132345 /nfs/dbraw/zinc/13/23/45/429132345.db2.gz FUWHBYQTIOYSIW-IAOVAPTHSA-N 2 1 301.434 2.734 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424363322 429132411 /nfs/dbraw/zinc/13/24/11/429132411.db2.gz BQKUPJSAGDMYNB-BTHPGYMESA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)O1 ZINC000376559950 429135517 /nfs/dbraw/zinc/13/55/17/429135517.db2.gz AZONGGDMMSVCAN-QAPCUYQASA-N 2 1 303.450 2.545 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000376557941 429136278 /nfs/dbraw/zinc/13/62/78/429136278.db2.gz LSSDRMCMCQORSM-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376557941 429136289 /nfs/dbraw/zinc/13/62/89/429136289.db2.gz LSSDRMCMCQORSM-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP CC[N@H+](Cc1cc(OC)c(OC)cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435389103 429136610 /nfs/dbraw/zinc/13/66/10/429136610.db2.gz IYAYVNIIQVGNTN-HNNXBMFYSA-N 2 1 322.449 2.676 20 0 DFADMP CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)[C@H]1CCC[NH2+]CC1 ZINC000435389103 429136615 /nfs/dbraw/zinc/13/66/15/429136615.db2.gz IYAYVNIIQVGNTN-HNNXBMFYSA-N 2 1 322.449 2.676 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000435382188 429137465 /nfs/dbraw/zinc/13/74/65/429137465.db2.gz CAKHUEUHPYYTIX-HNNXBMFYSA-N 2 1 311.429 2.928 20 0 DFADMP CC[N@H+](Cc1ccc(Br)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000435392854 429138101 /nfs/dbraw/zinc/13/81/01/429138101.db2.gz YHPQADWIMZVCSD-CQSZACIVSA-N 2 1 312.255 2.808 20 0 DFADMP CC[N@@H+](Cc1ccc(Br)cn1)[C@@H]1CCC[NH2+]CC1 ZINC000435392854 429138107 /nfs/dbraw/zinc/13/81/07/429138107.db2.gz YHPQADWIMZVCSD-CQSZACIVSA-N 2 1 312.255 2.808 20 0 DFADMP CC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@@H]1CCC[NH2+]CC1 ZINC000435392500 429138972 /nfs/dbraw/zinc/13/89/72/429138972.db2.gz WTSXABFVVFEWCF-CQSZACIVSA-N 2 1 304.463 2.898 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000435392094 429139946 /nfs/dbraw/zinc/13/99/46/429139946.db2.gz ZVAMJIDWNBEYKL-QEWYBTABSA-N 2 1 306.425 2.682 20 0 DFADMP COCCCCC[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1 ZINC000435723448 429161459 /nfs/dbraw/zinc/16/14/59/429161459.db2.gz SJXBUOGHPFIBPB-HNNXBMFYSA-N 2 1 311.495 2.680 20 0 DFADMP Cc1cccc(NC[C@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)[nH+]1 ZINC000364034261 429161510 /nfs/dbraw/zinc/16/15/10/429161510.db2.gz XBTVVNSYVXNKPE-QGZVFWFLSA-N 2 1 324.428 2.565 20 0 DFADMP CC1(C)NC(=O)CC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000494881660 429161728 /nfs/dbraw/zinc/16/17/28/429161728.db2.gz HIFFRGJPMPTMBF-MRXNPFEDSA-N 2 1 321.509 2.822 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000494958413 429166380 /nfs/dbraw/zinc/16/63/80/429166380.db2.gz VYTMLMKIWGGUOT-XFHJGTJQSA-N 2 1 303.450 2.528 20 0 DFADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000191858125 275068426 /nfs/dbraw/zinc/06/84/26/275068426.db2.gz HWUKPECPGOSWPY-OKYOBFRVSA-N 2 1 300.446 2.981 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436297776 429195383 /nfs/dbraw/zinc/19/53/83/429195383.db2.gz NXPUSLGUIHFJMD-MNEFBYGVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436297776 429195386 /nfs/dbraw/zinc/19/53/86/429195386.db2.gz NXPUSLGUIHFJMD-MNEFBYGVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297776 429195389 /nfs/dbraw/zinc/19/53/89/429195389.db2.gz NXPUSLGUIHFJMD-MNEFBYGVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436297776 429195391 /nfs/dbraw/zinc/19/53/91/429195391.db2.gz NXPUSLGUIHFJMD-MNEFBYGVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297776 429195393 /nfs/dbraw/zinc/19/53/93/429195393.db2.gz NXPUSLGUIHFJMD-MNEFBYGVSA-N 2 1 305.510 2.856 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3F)C2)CC1 ZINC000436284508 429193663 /nfs/dbraw/zinc/19/36/63/429193663.db2.gz BJFYJQIIBJHUII-KOMQPUFPSA-N 2 1 306.425 2.772 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](CC3CCCC3)CC2)cn1 ZINC000436275804 429193939 /nfs/dbraw/zinc/19/39/39/429193939.db2.gz QKOHGXZYVVHPQK-UHFFFAOYSA-N 2 1 303.450 2.834 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495393012 429205664 /nfs/dbraw/zinc/20/56/64/429205664.db2.gz JNHODAZMLJYGPQ-KGLIPLIRSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495393012 429205670 /nfs/dbraw/zinc/20/56/70/429205670.db2.gz JNHODAZMLJYGPQ-KGLIPLIRSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000495393012 429205672 /nfs/dbraw/zinc/20/56/72/429205672.db2.gz JNHODAZMLJYGPQ-KGLIPLIRSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000495393012 429205677 /nfs/dbraw/zinc/20/56/77/429205677.db2.gz JNHODAZMLJYGPQ-KGLIPLIRSA-N 2 1 313.486 2.704 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc(N3CCC3=O)c2)CC1 ZINC000442817758 429237505 /nfs/dbraw/zinc/23/75/05/429237505.db2.gz YQKRCHHRFPOPGD-UHFFFAOYSA-N 2 1 315.461 2.776 20 0 DFADMP CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCCn1ccnc1C ZINC000495640448 429237539 /nfs/dbraw/zinc/23/75/39/429237539.db2.gz LTXRANPSAFIQKP-INIZCTEOSA-N 2 1 322.453 2.524 20 0 DFADMP CCN(C)C(=O)OC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000495640448 429237554 /nfs/dbraw/zinc/23/75/54/429237554.db2.gz LTXRANPSAFIQKP-INIZCTEOSA-N 2 1 322.453 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000364664410 429245042 /nfs/dbraw/zinc/24/50/42/429245042.db2.gz YRKDJVLASPGAIX-PMPSAXMXSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000364664410 429245048 /nfs/dbraw/zinc/24/50/48/429245048.db2.gz YRKDJVLASPGAIX-PMPSAXMXSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364664410 429245051 /nfs/dbraw/zinc/24/50/51/429245051.db2.gz YRKDJVLASPGAIX-PMPSAXMXSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364664410 429245056 /nfs/dbraw/zinc/24/50/56/429245056.db2.gz YRKDJVLASPGAIX-PMPSAXMXSA-N 2 1 308.466 2.524 20 0 DFADMP CCCn1nc(C)c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1C ZINC000364668874 429245977 /nfs/dbraw/zinc/24/59/77/429245977.db2.gz BRKYFHCUCFXEJK-INIZCTEOSA-N 2 1 315.465 2.801 20 0 DFADMP CCCn1nc(C)c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1C ZINC000364668874 429245980 /nfs/dbraw/zinc/24/59/80/429245980.db2.gz BRKYFHCUCFXEJK-INIZCTEOSA-N 2 1 315.465 2.801 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364675091 429247680 /nfs/dbraw/zinc/24/76/80/429247680.db2.gz SELCCXMXGYNFBK-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364675091 429247682 /nfs/dbraw/zinc/24/76/82/429247682.db2.gz SELCCXMXGYNFBK-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364711122 429253012 /nfs/dbraw/zinc/25/30/12/429253012.db2.gz SIZNWLOLDVSNAG-OAHLLOKOSA-N 2 1 321.465 2.889 20 0 DFADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364711122 429253014 /nfs/dbraw/zinc/25/30/14/429253014.db2.gz SIZNWLOLDVSNAG-OAHLLOKOSA-N 2 1 321.465 2.889 20 0 DFADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000456368118 429289395 /nfs/dbraw/zinc/28/93/95/429289395.db2.gz DUDDMBVDPLGDIK-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000456368118 429289400 /nfs/dbraw/zinc/28/94/00/429289400.db2.gz DUDDMBVDPLGDIK-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000456368118 429289405 /nfs/dbraw/zinc/28/94/05/429289405.db2.gz DUDDMBVDPLGDIK-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)C1 ZINC000449090774 429330029 /nfs/dbraw/zinc/33/00/29/429330029.db2.gz ODPAEZWHEDGPMX-CQSZACIVSA-N 2 1 316.424 2.658 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365535746 429337011 /nfs/dbraw/zinc/33/70/11/429337011.db2.gz IFCQRCPFSWOYTA-CEXWTWQISA-N 2 1 316.493 2.778 20 0 DFADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365535746 429337014 /nfs/dbraw/zinc/33/70/14/429337014.db2.gz IFCQRCPFSWOYTA-CEXWTWQISA-N 2 1 316.493 2.778 20 0 DFADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365535746 429337019 /nfs/dbraw/zinc/33/70/19/429337019.db2.gz IFCQRCPFSWOYTA-CEXWTWQISA-N 2 1 316.493 2.778 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)[C@@H](C)C1 ZINC000449139864 429341526 /nfs/dbraw/zinc/34/15/26/429341526.db2.gz LZPJNYZQJFZEBO-MLHJIOFPSA-N 2 1 312.498 2.671 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]2C1 ZINC000425500825 429309913 /nfs/dbraw/zinc/30/99/13/429309913.db2.gz MTEZVFNHCPVSQM-XUVXKRRUSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425500825 429309916 /nfs/dbraw/zinc/30/99/16/429309916.db2.gz MTEZVFNHCPVSQM-XUVXKRRUSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000425500825 429309919 /nfs/dbraw/zinc/30/99/19/429309919.db2.gz MTEZVFNHCPVSQM-XUVXKRRUSA-N 2 1 313.489 2.677 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000457084831 429397348 /nfs/dbraw/zinc/39/73/48/429397348.db2.gz GWFOMZCMFNLKFK-ZWKOTPCHSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000457084831 429397353 /nfs/dbraw/zinc/39/73/53/429397353.db2.gz GWFOMZCMFNLKFK-ZWKOTPCHSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000457084831 429397357 /nfs/dbraw/zinc/39/73/57/429397357.db2.gz GWFOMZCMFNLKFK-ZWKOTPCHSA-N 2 1 321.509 2.725 20 0 DFADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2cccc(F)c2)CCCC1 ZINC000517922873 429404058 /nfs/dbraw/zinc/40/40/58/429404058.db2.gz XETRFYLYNXSORJ-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3[C@H]([NH2+]CC4=CCOCC4)CC[C@@H]3C2)cc1 ZINC000449402730 429405810 /nfs/dbraw/zinc/40/58/10/429405810.db2.gz NDBMAXUSWHFTHN-HSALFYBXSA-N 2 1 312.457 2.833 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2=CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000449402330 429407449 /nfs/dbraw/zinc/40/74/49/429407449.db2.gz LEIREDLBDSCWJF-QFBILLFUSA-N 2 1 300.446 2.976 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)CC[N@@H+]1C ZINC000449173934 429348197 /nfs/dbraw/zinc/34/81/97/429348197.db2.gz ONOPJAQRHFDENQ-GOEBONIOSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)CC[N@H+]1C ZINC000449173934 429348200 /nfs/dbraw/zinc/34/82/00/429348200.db2.gz ONOPJAQRHFDENQ-GOEBONIOSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1)C[NH+](C)C ZINC000425951318 429353539 /nfs/dbraw/zinc/35/35/39/429353539.db2.gz MMDBPBMAOJCWFS-GJZGRUSLSA-N 2 1 303.450 2.662 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000365660285 429359149 /nfs/dbraw/zinc/35/91/49/429359149.db2.gz NUIHUUIYQPEIPT-OJAHFUOMSA-N 2 1 319.537 2.937 20 0 DFADMP CC[C@](C)(CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449218253 429359357 /nfs/dbraw/zinc/35/93/57/429359357.db2.gz GRASTJDJDDAZES-QFBILLFUSA-N 2 1 304.478 2.833 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000426034521 429360372 /nfs/dbraw/zinc/36/03/72/429360372.db2.gz GCVIKOJTYFEVKB-JCYILVPMSA-N 2 1 310.482 2.962 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000426034521 429360375 /nfs/dbraw/zinc/36/03/75/429360375.db2.gz GCVIKOJTYFEVKB-JCYILVPMSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC000513336710 429362925 /nfs/dbraw/zinc/36/29/25/429362925.db2.gz ZQJOAINFGOGLAJ-DKSSEZFCSA-N 2 1 316.493 2.900 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000449265914 429371971 /nfs/dbraw/zinc/37/19/71/429371971.db2.gz SFBMSJHINGREMU-AWEZNQCLSA-N 2 1 316.424 2.610 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000449265914 429371977 /nfs/dbraw/zinc/37/19/77/429371977.db2.gz SFBMSJHINGREMU-AWEZNQCLSA-N 2 1 316.424 2.610 20 0 DFADMP Cn1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000449265914 429371979 /nfs/dbraw/zinc/37/19/79/429371979.db2.gz SFBMSJHINGREMU-AWEZNQCLSA-N 2 1 316.424 2.610 20 0 DFADMP Cn1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000449265914 429371984 /nfs/dbraw/zinc/37/19/84/429371984.db2.gz SFBMSJHINGREMU-AWEZNQCLSA-N 2 1 316.424 2.610 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000456980676 429372539 /nfs/dbraw/zinc/37/25/39/429372539.db2.gz DOKNVCILRPPYSF-LJQANCHMSA-N 2 1 323.440 2.535 20 0 DFADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000426218309 429374113 /nfs/dbraw/zinc/37/41/13/429374113.db2.gz WRSPUWDKGQDEFJ-JQHSSLGASA-N 2 1 317.477 2.524 20 0 DFADMP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccnc(N)c2)CC1 ZINC000365851721 429387023 /nfs/dbraw/zinc/38/70/23/429387023.db2.gz GCZMTMHZXHPTJL-LJQANCHMSA-N 2 1 324.472 3.150 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](Cc2ccnc(N)c2)CC1 ZINC000365851721 429387025 /nfs/dbraw/zinc/38/70/25/429387025.db2.gz GCZMTMHZXHPTJL-LJQANCHMSA-N 2 1 324.472 3.150 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC000365851721 429387029 /nfs/dbraw/zinc/38/70/29/429387029.db2.gz GCZMTMHZXHPTJL-LJQANCHMSA-N 2 1 324.472 3.150 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC000365851721 429387031 /nfs/dbraw/zinc/38/70/31/429387031.db2.gz GCZMTMHZXHPTJL-LJQANCHMSA-N 2 1 324.472 3.150 20 0 DFADMP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000449324163 429387623 /nfs/dbraw/zinc/38/76/23/429387623.db2.gz CWXNYEILORNATO-AWEZNQCLSA-N 2 1 307.507 2.657 20 0 DFADMP [NH2+]=C(NC[C@H]1CCC[N@H+]1CCc1ccccc1)Nc1ccccn1 ZINC000365858463 429389728 /nfs/dbraw/zinc/38/97/28/429389728.db2.gz BRCVGPOESVJNLM-QGZVFWFLSA-N 2 1 323.444 2.725 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@H]2CC[NH2+]C2)cc1 ZINC000427277872 429442842 /nfs/dbraw/zinc/44/28/42/429442842.db2.gz UEKKCVCDVJOAOV-NVXWUHKLSA-N 2 1 315.461 2.999 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427299725 429444301 /nfs/dbraw/zinc/44/43/01/429444301.db2.gz PNKBYIMHJSRNNH-BBWFWOEESA-N 2 1 323.525 2.639 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000519110499 429448718 /nfs/dbraw/zinc/44/87/18/429448718.db2.gz AGVKMLNWJKMJGI-GOEBONIOSA-N 2 1 305.470 2.748 20 0 DFADMP COc1cc2c(c(CN3CC[C@]4(CC[N@@H+](C)C4)C3)c1)O[C@H](C)C2 ZINC000366535504 429471058 /nfs/dbraw/zinc/47/10/58/429471058.db2.gz ONNINJZBIDIDOD-KUHUBIRLSA-N 2 1 316.445 2.546 20 0 DFADMP CCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000449601385 429460146 /nfs/dbraw/zinc/46/01/46/429460146.db2.gz RJJIUQGBXYKEEO-GBESFXJTSA-N 2 1 314.473 2.913 20 0 DFADMP CC[C@@H](O)[C@@H](CC)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449642966 429468187 /nfs/dbraw/zinc/46/81/87/429468187.db2.gz YIMUIUBBJSIZQD-TZMCWYRMSA-N 2 1 311.495 2.549 20 0 DFADMP CC[C@@H](O)[C@@H](CC)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449642966 429468189 /nfs/dbraw/zinc/46/81/89/429468189.db2.gz YIMUIUBBJSIZQD-TZMCWYRMSA-N 2 1 311.495 2.549 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000426773604 429415861 /nfs/dbraw/zinc/41/58/61/429415861.db2.gz PZIVBBYZEVKJPH-OAHLLOKOSA-N 2 1 305.466 2.598 20 0 DFADMP C[NH+]1CCC([NH2+][C@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449435980 429418591 /nfs/dbraw/zinc/41/85/91/429418591.db2.gz GMMLLQGFODXCQF-OAHLLOKOSA-N 2 1 316.367 2.813 20 0 DFADMP C[NH+](C)CC1(C(=O)N2CCC3(CCC[N@H+]3C)CC2)CCCCC1 ZINC000427068867 429431334 /nfs/dbraw/zinc/43/13/34/429431334.db2.gz DXRYFKLPCOWCBG-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC000427129367 429432121 /nfs/dbraw/zinc/43/21/21/429432121.db2.gz WPAXQNXWWFDWQA-PXNSSMCTSA-N 2 1 323.440 2.844 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC000427129367 429432125 /nfs/dbraw/zinc/43/21/25/429432125.db2.gz WPAXQNXWWFDWQA-PXNSSMCTSA-N 2 1 323.440 2.844 20 0 DFADMP CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000449495091 429432825 /nfs/dbraw/zinc/43/28/25/429432825.db2.gz OARYZJJHOWHKMD-DZGCQCFKSA-N 2 1 311.495 2.746 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(CCC(=O)c3ccc(F)cc3F)C2)C1 ZINC000366533918 429470387 /nfs/dbraw/zinc/47/03/87/429470387.db2.gz JAEIJBRZKVIIIS-QGZVFWFLSA-N 2 1 308.372 2.565 20 0 DFADMP Cn1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536501 429472322 /nfs/dbraw/zinc/47/23/22/429472322.db2.gz RPXYKBNJLNEDIM-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536501 429472325 /nfs/dbraw/zinc/47/23/25/429472325.db2.gz RPXYKBNJLNEDIM-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536501 429472330 /nfs/dbraw/zinc/47/23/30/429472330.db2.gz RPXYKBNJLNEDIM-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536501 429472334 /nfs/dbraw/zinc/47/23/34/429472334.db2.gz RPXYKBNJLNEDIM-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2cccs2)n1 ZINC000366536501 429472338 /nfs/dbraw/zinc/47/23/38/429472338.db2.gz RPXYKBNJLNEDIM-KRWDZBQOSA-N 2 1 316.474 2.676 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427898310 429477455 /nfs/dbraw/zinc/47/74/55/429477455.db2.gz SZDBJCQAXHSAQH-NEWSRXKRSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427898310 429477458 /nfs/dbraw/zinc/47/74/58/429477458.db2.gz SZDBJCQAXHSAQH-NEWSRXKRSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449735217 429491201 /nfs/dbraw/zinc/49/12/01/429491201.db2.gz GHNNQRUDDRJQEW-DSLXNQLJSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449735217 429491203 /nfs/dbraw/zinc/49/12/03/429491203.db2.gz GHNNQRUDDRJQEW-DSLXNQLJSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449735220 429491569 /nfs/dbraw/zinc/49/15/69/429491569.db2.gz GHNNQRUDDRJQEW-XGXHKWSGSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449735220 429491570 /nfs/dbraw/zinc/49/15/70/429491570.db2.gz GHNNQRUDDRJQEW-XGXHKWSGSA-N 2 1 302.462 2.790 20 0 DFADMP CC[C@@H](c1ccccc1F)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000366682395 429492419 /nfs/dbraw/zinc/49/24/19/429492419.db2.gz QSCGOUZUKUEIIX-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@@H](c1ccccc1F)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000366682395 429492423 /nfs/dbraw/zinc/49/24/23/429492423.db2.gz QSCGOUZUKUEIIX-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449738427 429493782 /nfs/dbraw/zinc/49/37/82/429493782.db2.gz BSGCKLKVMPGWCN-SNRMKQJTSA-N 2 1 302.462 2.648 20 0 DFADMP COc1cccc(N2CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)c1 ZINC000366690489 429494500 /nfs/dbraw/zinc/49/45/00/429494500.db2.gz AWFWNNOWQNJSMN-UHFFFAOYSA-N 2 1 315.461 2.516 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000366692762 429495960 /nfs/dbraw/zinc/49/59/60/429495960.db2.gz DYQWFHCYQIQMSS-IBGZPJMESA-N 3 1 313.489 2.891 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)[C@H]1OC ZINC000366727214 429500932 /nfs/dbraw/zinc/50/09/32/429500932.db2.gz CEFOEKACQVPZKX-XJNFMUPTSA-N 2 1 305.466 2.875 20 0 DFADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)s2)c1 ZINC000366744782 429504360 /nfs/dbraw/zinc/50/43/60/429504360.db2.gz KDHVTCFDKGGJPT-LBPRGKRZSA-N 2 1 314.414 2.952 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000366794395 429516927 /nfs/dbraw/zinc/51/69/27/429516927.db2.gz ZPWSKGCRAWQASC-IXDOHACOSA-N 2 1 304.482 2.768 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000449844641 429523368 /nfs/dbraw/zinc/52/33/68/429523368.db2.gz XBUPYLZQIWPHSW-SFHVURJKSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449844641 429523372 /nfs/dbraw/zinc/52/33/72/429523372.db2.gz XBUPYLZQIWPHSW-SFHVURJKSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449844641 429523376 /nfs/dbraw/zinc/52/33/76/429523376.db2.gz XBUPYLZQIWPHSW-SFHVURJKSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000521369579 429549223 /nfs/dbraw/zinc/54/92/23/429549223.db2.gz AJUQYQZGHUOLID-LSDHHAIUSA-N 3 1 302.397 2.679 20 0 DFADMP Cc1cnccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000521866996 429565952 /nfs/dbraw/zinc/56/59/52/429565952.db2.gz BLDJKCZZXMJEPJ-OYRHEFFESA-N 2 1 321.468 2.996 20 0 DFADMP C[C@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)CC[N@H+](C2CC2)C1 ZINC000521972471 429572491 /nfs/dbraw/zinc/57/24/91/429572491.db2.gz ZCQRYFPBJAEEHZ-MRXNPFEDSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[NH+](C2CC2)C1 ZINC000521972471 429572495 /nfs/dbraw/zinc/57/24/95/429572495.db2.gz ZCQRYFPBJAEEHZ-MRXNPFEDSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+](C2CC2)C1 ZINC000521972471 429572500 /nfs/dbraw/zinc/57/25/00/429572500.db2.gz ZCQRYFPBJAEEHZ-MRXNPFEDSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367108141 429578801 /nfs/dbraw/zinc/57/88/01/429578801.db2.gz CIRZHWMVYMXUSN-IAGOWNOFSA-N 2 1 319.468 2.846 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000367108142 429579780 /nfs/dbraw/zinc/57/97/80/429579780.db2.gz CIRZHWMVYMXUSN-IRXDYDNUSA-N 2 1 319.468 2.846 20 0 DFADMP OC1CCN(CCC[NH2+]Cc2ccc(C(F)(F)F)s2)CC1 ZINC000428557079 429534021 /nfs/dbraw/zinc/53/40/21/429534021.db2.gz HXJCEBAGZXVKIW-UHFFFAOYSA-N 2 1 322.396 2.703 20 0 DFADMP CC(C)C[C@H](C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366897110 429535519 /nfs/dbraw/zinc/53/55/19/429535519.db2.gz PIYYUZLMWMPMLH-KRWDZBQOSA-N 2 1 323.525 2.545 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH2+]C)cc1 ZINC000429235121 429588765 /nfs/dbraw/zinc/58/87/65/429588765.db2.gz QHAXEUOQTYXONU-OAHLLOKOSA-N 2 1 305.466 2.504 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)CC1 ZINC000524156125 429620058 /nfs/dbraw/zinc/62/00/58/429620058.db2.gz KYTDKZNUHXXCNA-IRXDYDNUSA-N 2 1 323.525 2.828 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000450427805 429623963 /nfs/dbraw/zinc/62/39/63/429623963.db2.gz GJBREPLAHYBAQG-AOIWGVFYSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450454372 429630207 /nfs/dbraw/zinc/63/02/07/429630207.db2.gz OHHYSLUWVRRBSK-POAQFYNOSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000450454372 429630211 /nfs/dbraw/zinc/63/02/11/429630211.db2.gz OHHYSLUWVRRBSK-POAQFYNOSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000450454372 429630216 /nfs/dbraw/zinc/63/02/16/429630216.db2.gz OHHYSLUWVRRBSK-POAQFYNOSA-N 2 1 316.489 2.815 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000524720214 429630675 /nfs/dbraw/zinc/63/06/75/429630675.db2.gz CVTZXTHGHTWIFC-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000492872672 429633851 /nfs/dbraw/zinc/63/38/51/429633851.db2.gz ZKCOIBJENIQEJS-AISUJJHZSA-N 2 1 324.428 2.544 20 0 DFADMP C[C@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000524771156 429634014 /nfs/dbraw/zinc/63/40/14/429634014.db2.gz LWVHFXMAFOTFQG-KRWDZBQOSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccnn1-c1ccccc1OC ZINC000430002016 429644691 /nfs/dbraw/zinc/64/46/91/429644691.db2.gz FRTXQLHXUOOAAW-UHFFFAOYSA-N 2 1 316.449 2.702 20 0 DFADMP CCc1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)cc[nH+]1 ZINC000450545632 429645612 /nfs/dbraw/zinc/64/56/12/429645612.db2.gz ZNIICJUEBXUVBQ-JWTNVVGKSA-N 2 1 303.450 2.722 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@@H](C)O)[C@@H](C)C3)c2c1 ZINC000450314184 429597649 /nfs/dbraw/zinc/59/76/49/429597649.db2.gz TYBADJJRNUJTIP-LSDHHAIUSA-N 2 1 313.445 2.689 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC(CC)(CC)C[NH3+])cc1)C1CC1 ZINC000429369127 429602792 /nfs/dbraw/zinc/60/27/92/429602792.db2.gz ZBCUIOBIQTVAQI-UHFFFAOYSA-N 2 1 317.477 2.918 20 0 DFADMP CCn1nccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367256892 429607796 /nfs/dbraw/zinc/60/77/96/429607796.db2.gz BTKQOCCTSDZNMF-KRWDZBQOSA-N 2 1 304.482 2.643 20 0 DFADMP CCn1nccc1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367256892 429607797 /nfs/dbraw/zinc/60/77/97/429607797.db2.gz BTKQOCCTSDZNMF-KRWDZBQOSA-N 2 1 304.482 2.643 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1)C1CC1 ZINC000429409170 429608108 /nfs/dbraw/zinc/60/81/08/429608108.db2.gz QXTQYODCCSTFTK-UHFFFAOYSA-N 2 1 315.461 2.672 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCCC2(F)F)CC1 ZINC000450362507 429610387 /nfs/dbraw/zinc/61/03/87/429610387.db2.gz GHWXHIDMIVAGLA-GOEBONIOSA-N 2 1 318.452 2.837 20 0 DFADMP OC[C@H](CC(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000429474498 429611505 /nfs/dbraw/zinc/61/15/05/429611505.db2.gz YRQYULMNBZSUDN-YNBOMUFVSA-N 2 1 324.415 2.788 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450388739 429613880 /nfs/dbraw/zinc/61/38/80/429613880.db2.gz JEATUSFGRVYNGT-LJQANCHMSA-N 2 1 305.510 2.979 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000367472805 429657036 /nfs/dbraw/zinc/65/70/36/429657036.db2.gz WBJIXKTWCKNJOP-NUJGCVRESA-N 2 1 317.477 2.615 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000430138804 429657161 /nfs/dbraw/zinc/65/71/61/429657161.db2.gz OHKVTHWHADCLRO-HHXXYDBFSA-N 2 1 301.478 2.985 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCN([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000430138804 429657165 /nfs/dbraw/zinc/65/71/65/429657165.db2.gz OHKVTHWHADCLRO-HHXXYDBFSA-N 2 1 301.478 2.985 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCCCC1(F)F ZINC000450598604 429659258 /nfs/dbraw/zinc/65/92/58/429659258.db2.gz JQAACYVRXLWARL-KLHDSHLOSA-N 2 1 316.436 2.995 20 0 DFADMP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccn1 ZINC000358287042 276044402 /nfs/dbraw/zinc/04/44/02/276044402.db2.gz IGSJEJLEJKFGTE-FHWLQOOXSA-N 2 1 317.477 2.890 20 0 DFADMP Cc1ccc2c(C)cc(NC[C@H]3CCC[N@H+]3CCCO)nc2c1 ZINC000450588491 429653534 /nfs/dbraw/zinc/65/35/34/429653534.db2.gz BLCKWNWCSGPUIE-MRXNPFEDSA-N 2 1 313.445 3.110 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000450590051 429653868 /nfs/dbraw/zinc/65/38/68/429653868.db2.gz HTGUUKSVQQCDCA-FPAYPSAMSA-N 2 1 313.445 2.931 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])c1 ZINC000295958561 276075389 /nfs/dbraw/zinc/07/53/89/276075389.db2.gz HQRKRNMWDDKUJZ-QZTJIDSGSA-N 2 1 317.477 2.662 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245899595 276094778 /nfs/dbraw/zinc/09/47/78/276094778.db2.gz PUJGMJPSBYYRTR-WBVHZDCISA-N 2 1 323.868 2.543 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245899595 276094779 /nfs/dbraw/zinc/09/47/79/276094779.db2.gz PUJGMJPSBYYRTR-WBVHZDCISA-N 2 1 323.868 2.543 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000355284039 276118263 /nfs/dbraw/zinc/11/82/63/276118263.db2.gz RBROFIBRQJZQBK-SCTDSRPQSA-N 2 1 303.494 2.969 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000177026202 276201474 /nfs/dbraw/zinc/20/14/74/276201474.db2.gz XJNNYXLWTGPBCF-PKOBYXMFSA-N 2 1 317.452 2.525 20 0 DFADMP Cc1cnn(CCCCC[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000367604086 429683360 /nfs/dbraw/zinc/68/33/60/429683360.db2.gz REEQIRLZKSOCAD-JWTNVVGKSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1cnn(CCCCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000367604086 429683364 /nfs/dbraw/zinc/68/33/64/429683364.db2.gz REEQIRLZKSOCAD-JWTNVVGKSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1cnn(CCCCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000367604086 429683367 /nfs/dbraw/zinc/68/33/67/429683367.db2.gz REEQIRLZKSOCAD-JWTNVVGKSA-N 2 1 304.482 2.919 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCC(C)CC3)O2)[C@H](C)C1 ZINC000245558917 276229875 /nfs/dbraw/zinc/22/98/75/276229875.db2.gz HIYPJTFJUOXKLO-FQBRJNOBSA-N 2 1 310.482 2.628 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430552732 429689670 /nfs/dbraw/zinc/68/96/70/429689670.db2.gz KOEGACFXGPYZCM-KBPBESRZSA-N 2 1 307.413 2.522 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCC1 ZINC000525981028 429690795 /nfs/dbraw/zinc/69/07/95/429690795.db2.gz FRWIRGAQALEEKO-GOEBONIOSA-N 2 1 307.507 2.815 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367606542 429684842 /nfs/dbraw/zinc/68/48/42/429684842.db2.gz KATHSVPRGHYXMV-FDPIWHGQSA-N 2 1 318.461 2.925 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(F)c(Br)c1)C1CC1 ZINC000430573404 429693450 /nfs/dbraw/zinc/69/34/50/429693450.db2.gz QWAJNNQEXKUUAK-ZDUSSCGKSA-N 2 1 301.203 2.805 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000246936790 276340618 /nfs/dbraw/zinc/34/06/18/276340618.db2.gz HKJAGIGKZUXYTG-IXDOHACOSA-N 2 1 307.482 2.982 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCCNC2=O)CC1)CC(C)C ZINC000358739076 276343024 /nfs/dbraw/zinc/34/30/24/276343024.db2.gz DXJMWOXDEAUACE-SFHVURJKSA-N 2 1 323.525 2.735 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1(C)C ZINC000370620337 276353696 /nfs/dbraw/zinc/35/36/96/276353696.db2.gz PEEGUHXCWWNMIB-HSFUPAIVSA-N 2 1 324.509 2.669 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1(C)C ZINC000370620337 276353697 /nfs/dbraw/zinc/35/36/97/276353697.db2.gz PEEGUHXCWWNMIB-HSFUPAIVSA-N 2 1 324.509 2.669 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000430586167 429696926 /nfs/dbraw/zinc/69/69/26/429696926.db2.gz YDONBBXQOIJSKP-BQFCYCMXSA-N 2 1 317.477 2.540 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000430586167 429696929 /nfs/dbraw/zinc/69/69/29/429696929.db2.gz YDONBBXQOIJSKP-BQFCYCMXSA-N 2 1 317.477 2.540 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430613430 429701030 /nfs/dbraw/zinc/70/10/30/429701030.db2.gz VMLHPZIHWMPXLR-DZGCQCFKSA-N 2 1 321.490 2.939 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430613430 429701036 /nfs/dbraw/zinc/70/10/36/429701036.db2.gz VMLHPZIHWMPXLR-DZGCQCFKSA-N 2 1 321.490 2.939 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430629743 429702763 /nfs/dbraw/zinc/70/27/63/429702763.db2.gz QTYNHQYKPFYCKC-OAHLLOKOSA-N 2 1 314.433 2.601 20 0 DFADMP Cc1cc(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000450800738 429703104 /nfs/dbraw/zinc/70/31/04/429703104.db2.gz ZNCSGAKHSUUMJV-OKILXGFUSA-N 2 1 317.408 2.574 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000430625593 429703758 /nfs/dbraw/zinc/70/37/58/429703758.db2.gz QOHQHXVGAGSUDT-GFCCVEGCSA-N 2 1 320.824 2.603 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430629032 429703940 /nfs/dbraw/zinc/70/39/40/429703940.db2.gz PHKCWDWBMKSRRD-KGLIPLIRSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430629032 429703953 /nfs/dbraw/zinc/70/39/53/429703953.db2.gz PHKCWDWBMKSRRD-KGLIPLIRSA-N 2 1 323.868 2.530 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430642126 429704936 /nfs/dbraw/zinc/70/49/36/429704936.db2.gz UWICKAHYCRQULT-GFCCVEGCSA-N 2 1 302.340 2.755 20 0 DFADMP Cc1cc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)ccc1F ZINC000367724143 429707615 /nfs/dbraw/zinc/70/76/15/429707615.db2.gz WBIMGPFAPPJPQD-GOSISDBHSA-N 2 1 319.468 2.594 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367721461 429707712 /nfs/dbraw/zinc/70/77/12/429707712.db2.gz OHYXSDMXZWPFPW-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367721461 429707714 /nfs/dbraw/zinc/70/77/14/429707714.db2.gz OHYXSDMXZWPFPW-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367723127 429707737 /nfs/dbraw/zinc/70/77/37/429707737.db2.gz RUWKICCKZIHMSX-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367723127 429707740 /nfs/dbraw/zinc/70/77/40/429707740.db2.gz RUWKICCKZIHMSX-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP C[N@@H+](CCOC1CCC1)[C@@H]1CCC[NH+](CCOC2CCC2)CC1 ZINC000367736167 429708832 /nfs/dbraw/zinc/70/88/32/429708832.db2.gz CQLBKJDEZIRLQO-QGZVFWFLSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CCOC1CCC1)[C@@H]1CCC[N@H+](CCOC2CCC2)CC1 ZINC000367736167 429708839 /nfs/dbraw/zinc/70/88/39/429708839.db2.gz CQLBKJDEZIRLQO-QGZVFWFLSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CCOC1CCC1)[C@@H]1CCC[N@@H+](CCOC2CCC2)CC1 ZINC000367736167 429708842 /nfs/dbraw/zinc/70/88/42/429708842.db2.gz CQLBKJDEZIRLQO-QGZVFWFLSA-N 2 1 324.509 2.911 20 0 DFADMP CCCN(C(=O)C[C@H](C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000430689799 429709421 /nfs/dbraw/zinc/70/94/21/429709421.db2.gz BEBJGXPVAUEPAI-WMZOPIPTSA-N 2 1 317.477 2.627 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450988333 429746262 /nfs/dbraw/zinc/74/62/62/429746262.db2.gz ALLKZCCXSKDFIY-UHFFFAOYSA-N 2 1 324.509 2.626 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430758725 429714703 /nfs/dbraw/zinc/71/47/03/429714703.db2.gz DGGGSFQNPRKMEH-WCXIOVBPSA-N 2 1 309.498 2.663 20 0 DFADMP CC(C)n1ccnc1CN1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000527047558 429719440 /nfs/dbraw/zinc/71/94/40/429719440.db2.gz SOJLAKXELMPJCM-QGZVFWFLSA-N 2 1 320.481 2.541 20 0 DFADMP CC(C)c1cc(NC2CC[NH+](C3CCC3)CC2)nc(N(C)C)[nH+]1 ZINC000450883412 429721134 /nfs/dbraw/zinc/72/11/34/429721134.db2.gz WXRRPTNTXMCBSV-UHFFFAOYSA-N 2 1 317.481 3.095 20 0 DFADMP c1nc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000450890385 429722972 /nfs/dbraw/zinc/72/29/72/429722972.db2.gz VIBNTQBLFGQOGC-CALCHBBNSA-N 2 1 313.470 2.749 20 0 DFADMP c1nc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000450890385 429722977 /nfs/dbraw/zinc/72/29/77/429722977.db2.gz VIBNTQBLFGQOGC-CALCHBBNSA-N 2 1 313.470 2.749 20 0 DFADMP c1nc(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000450890385 429722979 /nfs/dbraw/zinc/72/29/79/429722979.db2.gz VIBNTQBLFGQOGC-CALCHBBNSA-N 2 1 313.470 2.749 20 0 DFADMP c1nc(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cs1 ZINC000450890385 429722982 /nfs/dbraw/zinc/72/29/82/429722982.db2.gz VIBNTQBLFGQOGC-CALCHBBNSA-N 2 1 313.470 2.749 20 0 DFADMP C[C@H]1C[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430947990 429727454 /nfs/dbraw/zinc/72/74/54/429727454.db2.gz GRFWCUVEUAPMIL-FZMZJTMJSA-N 2 1 318.339 2.633 20 0 DFADMP C[C@H]1C[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430947992 429727912 /nfs/dbraw/zinc/72/79/12/429727912.db2.gz GRFWCUVEUAPMIL-SMDDNHRTSA-N 2 1 318.339 2.633 20 0 DFADMP FC(F)(F)c1ncc(C[NH+]2CCC3(CC[NH2+]C3)CC2)s1 ZINC000430958461 429729251 /nfs/dbraw/zinc/72/92/51/429729251.db2.gz SOBQCYKAJULGCE-UHFFFAOYSA-N 2 1 305.369 2.737 20 0 DFADMP C[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1c1ccccc1 ZINC000431085275 429742054 /nfs/dbraw/zinc/74/20/54/429742054.db2.gz JLPRVDLZNRQQSO-ZFWWWQNUSA-N 2 1 314.433 2.889 20 0 DFADMP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1c1ccccc1 ZINC000431085275 429742057 /nfs/dbraw/zinc/74/20/57/429742057.db2.gz JLPRVDLZNRQQSO-ZFWWWQNUSA-N 2 1 314.433 2.889 20 0 DFADMP Cc1ccccc1[C@@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431087168 429742879 /nfs/dbraw/zinc/74/28/79/429742879.db2.gz VMSYBRLOWZRNHQ-CYBMUJFWSA-N 2 1 300.406 2.561 20 0 DFADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324964 429743478 /nfs/dbraw/zinc/74/34/78/429743478.db2.gz STBLZNLIDRMJQG-PKOBYXMFSA-N 2 1 324.472 2.990 20 0 DFADMP C[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324972 429743960 /nfs/dbraw/zinc/74/39/60/429743960.db2.gz UVAKJRMPRDGYSZ-FUHWJXTLSA-N 2 1 310.445 2.600 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000527787458 429798276 /nfs/dbraw/zinc/79/82/76/429798276.db2.gz CGCBJMPFOSFRFM-BARLLCKDSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)CC[N@H+]1Cc1ccccc1 ZINC000527787458 429798280 /nfs/dbraw/zinc/79/82/80/429798280.db2.gz CGCBJMPFOSFRFM-BARLLCKDSA-N 2 1 300.446 2.808 20 0 DFADMP CC1CCC(O)(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)CC1 ZINC000432074594 429798510 /nfs/dbraw/zinc/79/85/10/429798510.db2.gz CCUJDZWEUYXHSK-WUJZJPHMSA-N 2 1 317.477 2.950 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[NH+](CC[C@H]3CCC[N@@H+]3C)C1)CCCC2 ZINC000432078721 429798779 /nfs/dbraw/zinc/79/87/79/429798779.db2.gz RHPKPFITLBIMMJ-IAGOWNOFSA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](CC[C@H]3CCC[NH+]3C)C1)CCCC2 ZINC000432078721 429798783 /nfs/dbraw/zinc/79/87/83/429798783.db2.gz RHPKPFITLBIMMJ-IAGOWNOFSA-N 2 1 316.493 2.801 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@H+](CC[C@H]3CCC[NH+]3C)C1)CCCC2 ZINC000432078721 429798786 /nfs/dbraw/zinc/79/87/86/429798786.db2.gz RHPKPFITLBIMMJ-IAGOWNOFSA-N 2 1 316.493 2.801 20 0 DFADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000451001709 429748252 /nfs/dbraw/zinc/74/82/52/429748252.db2.gz AOGNPCDBUDLHPM-QGZVFWFLSA-N 2 1 321.509 2.726 20 0 DFADMP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000368015182 429766689 /nfs/dbraw/zinc/76/66/89/429766689.db2.gz BVOBAMGTACWRKU-VFBMKALASA-N 2 1 322.399 2.664 20 0 DFADMP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000368015182 429766693 /nfs/dbraw/zinc/76/66/93/429766693.db2.gz BVOBAMGTACWRKU-VFBMKALASA-N 2 1 322.399 2.664 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000368025956 429770406 /nfs/dbraw/zinc/77/04/06/429770406.db2.gz YTLOXFHJKOXOIX-CEXWTWQISA-N 2 1 317.477 2.506 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431718455 429779248 /nfs/dbraw/zinc/77/92/48/429779248.db2.gz DATJMILZPSBFJN-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431718455 429779251 /nfs/dbraw/zinc/77/92/51/429779251.db2.gz DATJMILZPSBFJN-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431718455 429779254 /nfs/dbraw/zinc/77/92/54/429779254.db2.gz DATJMILZPSBFJN-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP FC(F)COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368091224 429784784 /nfs/dbraw/zinc/78/47/84/429784784.db2.gz VXVBZSZPXJVFLO-IRXDYDNUSA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368091224 429784786 /nfs/dbraw/zinc/78/47/86/429784786.db2.gz VXVBZSZPXJVFLO-IRXDYDNUSA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368091224 429784789 /nfs/dbraw/zinc/78/47/89/429784789.db2.gz VXVBZSZPXJVFLO-IRXDYDNUSA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368091224 429784791 /nfs/dbraw/zinc/78/47/91/429784791.db2.gz VXVBZSZPXJVFLO-IRXDYDNUSA-N 2 1 324.415 2.722 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccnn1-c1ccccc1 ZINC000368103987 429788845 /nfs/dbraw/zinc/78/88/45/429788845.db2.gz ZSLIOPZXRRTBRP-KBPBESRZSA-N 2 1 307.401 2.804 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H]2C[C@H]2c2ccccc2)CCCO1 ZINC000432346353 429815807 /nfs/dbraw/zinc/81/58/07/429815807.db2.gz LGQDKPXZUDRSST-QRQLOZEOSA-N 2 1 302.462 2.881 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CCCO1 ZINC000432348292 429816791 /nfs/dbraw/zinc/81/67/91/429816791.db2.gz QJMBOEJIFXOWGY-CQSZACIVSA-N 2 1 319.424 2.898 20 0 DFADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC1CCOCC1 ZINC000432369121 429817406 /nfs/dbraw/zinc/81/74/06/429817406.db2.gz PFDZWGGNSDNMIQ-IRXDYDNUSA-N 2 1 312.498 2.530 20 0 DFADMP Cc1ccc(CCCN2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000368265801 429819898 /nfs/dbraw/zinc/81/98/98/429819898.db2.gz UYHVRZOOZMGKGK-UXHICEINSA-N 2 1 316.489 2.849 20 0 DFADMP Cc1ccc(CCCN2CCC[C@@H]2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000368265801 429819902 /nfs/dbraw/zinc/81/99/02/429819902.db2.gz UYHVRZOOZMGKGK-UXHICEINSA-N 2 1 316.489 2.849 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@@H](OC)c2cccc(OC)c2)CC1 ZINC000527922589 429821107 /nfs/dbraw/zinc/82/11/07/429821107.db2.gz ZNZSNSWFKSABHW-GOSISDBHSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCCO1 ZINC000432422202 429821981 /nfs/dbraw/zinc/82/19/81/429821981.db2.gz SKQYPIJMWJTPBK-KBXCAEBGSA-N 2 1 322.880 2.898 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2Cc3ccc(Cl)cc3C2)CCCO1 ZINC000432422202 429821984 /nfs/dbraw/zinc/82/19/84/429821984.db2.gz SKQYPIJMWJTPBK-KBXCAEBGSA-N 2 1 322.880 2.898 20 0 DFADMP CCCc1csc(C[NH2+]CCCC[NH+]2CCN(CC)CC2)n1 ZINC000494356588 429868549 /nfs/dbraw/zinc/86/85/49/429868549.db2.gz LFUANPNPVNDUMA-UHFFFAOYSA-N 2 1 324.538 2.603 20 0 DFADMP OC1CC(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000432427590 429823839 /nfs/dbraw/zinc/82/38/39/429823839.db2.gz ZRIKDVOSAJIWDT-KPZODNFCSA-N 2 1 314.473 2.648 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000432787400 429841004 /nfs/dbraw/zinc/84/10/04/429841004.db2.gz SEFNRMRCRMMXSC-AWEZNQCLSA-N 3 1 304.463 2.850 20 0 DFADMP C[NH+](C)[C@H]1CCCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000432787400 429841009 /nfs/dbraw/zinc/84/10/09/429841009.db2.gz SEFNRMRCRMMXSC-AWEZNQCLSA-N 3 1 304.463 2.850 20 0 DFADMP CC(C)[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000432826501 429843427 /nfs/dbraw/zinc/84/34/27/429843427.db2.gz ZAHZLICXHPMOSM-VQTJNVASSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000432826501 429843429 /nfs/dbraw/zinc/84/34/29/429843429.db2.gz ZAHZLICXHPMOSM-VQTJNVASSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000432826501 429843431 /nfs/dbraw/zinc/84/34/31/429843431.db2.gz ZAHZLICXHPMOSM-VQTJNVASSA-N 2 1 316.489 2.991 20 0 DFADMP C[N@H+](CC1(C)CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000432807966 429843489 /nfs/dbraw/zinc/84/34/89/429843489.db2.gz YSQRNBZUDYMYGN-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](CC1(C)CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000432807966 429843492 /nfs/dbraw/zinc/84/34/92/429843492.db2.gz YSQRNBZUDYMYGN-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CC1(C)CCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000432807966 429843496 /nfs/dbraw/zinc/84/34/96/429843496.db2.gz YSQRNBZUDYMYGN-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CC1(C)CCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000432807966 429843499 /nfs/dbraw/zinc/84/34/99/429843499.db2.gz YSQRNBZUDYMYGN-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP CCN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453031 429850600 /nfs/dbraw/zinc/85/06/00/429850600.db2.gz GMNACYPXEQXIOG-NUJGCVRESA-N 2 1 317.477 2.526 20 0 DFADMP COC[C@@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000368529508 429861757 /nfs/dbraw/zinc/86/17/57/429861757.db2.gz BZZILFUSDIMIJL-MOPGFXCFSA-N 2 1 302.462 2.913 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451336590 429813857 /nfs/dbraw/zinc/81/38/57/429813857.db2.gz FBCJLVPEOFJALK-KZNAEPCWSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000451336590 429813859 /nfs/dbraw/zinc/81/38/59/429813859.db2.gz FBCJLVPEOFJALK-KZNAEPCWSA-N 2 1 305.466 2.987 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494555960 429880443 /nfs/dbraw/zinc/88/04/43/429880443.db2.gz SMMGORSVYHGWNK-RBSFLKMASA-N 2 1 313.486 2.610 20 0 DFADMP O=c1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC000639641214 429928415 /nfs/dbraw/zinc/92/84/15/429928415.db2.gz IHEAIBDZKLVEOJ-HXUWFJFHSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC000639641214 429928421 /nfs/dbraw/zinc/92/84/21/429928421.db2.gz IHEAIBDZKLVEOJ-HXUWFJFHSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC000639641214 429928422 /nfs/dbraw/zinc/92/84/22/429928422.db2.gz IHEAIBDZKLVEOJ-HXUWFJFHSA-N 2 1 323.440 2.885 20 0 DFADMP Clc1cccnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000528392359 429884563 /nfs/dbraw/zinc/88/45/63/429884563.db2.gz CBOWVJAXTHUKLG-UHFFFAOYSA-N 2 1 323.868 2.812 20 0 DFADMP CO[C@H](CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000528408376 429886106 /nfs/dbraw/zinc/88/61/06/429886106.db2.gz UQACDEIELRBHCE-RYQLBKOJSA-N 2 1 306.425 2.929 20 0 DFADMP Fc1ccc(Br)cc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000368842795 429898264 /nfs/dbraw/zinc/89/82/64/429898264.db2.gz AKTKSCLNWZATMP-GFCCVEGCSA-N 2 1 324.197 2.889 20 0 DFADMP CCCOc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000368845501 429898409 /nfs/dbraw/zinc/89/84/09/429898409.db2.gz MGBFMWYBZCCPHP-OAHLLOKOSA-N 2 1 315.417 2.785 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c(OC)c1 ZINC000528668684 429906250 /nfs/dbraw/zinc/90/62/50/429906250.db2.gz JPUKWXGCIXOYKD-ZDUSSCGKSA-N 2 1 303.406 2.721 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369021050 429907948 /nfs/dbraw/zinc/90/79/48/429907948.db2.gz GXFAIHFYTGZEQA-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000369055412 429909691 /nfs/dbraw/zinc/90/96/91/429909691.db2.gz OIBLGLINXDEHCJ-JKSUJKDBSA-N 2 1 320.481 2.756 20 0 DFADMP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000369073180 429911089 /nfs/dbraw/zinc/91/10/89/429911089.db2.gz BLVOVMXVZCPALU-SWLSCSKDSA-N 2 1 301.365 2.623 20 0 DFADMP O=c1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC000639641213 429927112 /nfs/dbraw/zinc/92/71/12/429927112.db2.gz IHEAIBDZKLVEOJ-FQEVSTJZSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC000639641213 429927117 /nfs/dbraw/zinc/92/71/17/429927117.db2.gz IHEAIBDZKLVEOJ-FQEVSTJZSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cc[nH]1 ZINC000639641213 429927120 /nfs/dbraw/zinc/92/71/20/429927120.db2.gz IHEAIBDZKLVEOJ-FQEVSTJZSA-N 2 1 323.440 2.885 20 0 DFADMP Cc1nccn1CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000494416239 429870694 /nfs/dbraw/zinc/87/06/94/429870694.db2.gz CNWSMJNDKWQRNV-ZIAGYGMSSA-N 2 1 322.453 2.521 20 0 DFADMP Cc1nccn1CCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@H]1C ZINC000494416239 429870698 /nfs/dbraw/zinc/87/06/98/429870698.db2.gz CNWSMJNDKWQRNV-ZIAGYGMSSA-N 2 1 322.453 2.521 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2ccc(C[NH3+])cc2)CC1 ZINC000573461318 429954732 /nfs/dbraw/zinc/95/47/32/429954732.db2.gz JRROBCURNCDMRX-UHFFFAOYSA-N 2 1 318.465 2.729 20 0 DFADMP C[N@@H+](CCN1CC[NH+](C)[C@@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000639745942 429965558 /nfs/dbraw/zinc/96/55/58/429965558.db2.gz VWXXHJDZSJRYSV-GOSISDBHSA-N 2 1 321.484 2.920 20 0 DFADMP C[NH+](CCN1CC[N@H+](C)[C@@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000639745942 429965560 /nfs/dbraw/zinc/96/55/60/429965560.db2.gz VWXXHJDZSJRYSV-GOSISDBHSA-N 2 1 321.484 2.920 20 0 DFADMP C[NH+](CCN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000639745942 429965561 /nfs/dbraw/zinc/96/55/61/429965561.db2.gz VWXXHJDZSJRYSV-GOSISDBHSA-N 2 1 321.484 2.920 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000558348676 429967304 /nfs/dbraw/zinc/96/73/04/429967304.db2.gz CMJKTDNYNVWJEK-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000639761343 429972780 /nfs/dbraw/zinc/97/27/80/429972780.db2.gz ASHYOKREOHQUBZ-NRXISQOPSA-N 2 1 322.415 2.744 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639761596 429973385 /nfs/dbraw/zinc/97/33/85/429973385.db2.gz GQJHAXUIIPATFJ-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000369365434 429930932 /nfs/dbraw/zinc/93/09/32/429930932.db2.gz BMDKTAWMTYJVSO-SFHVURJKSA-N 2 1 319.493 2.527 20 0 DFADMP COc1ncc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000639654771 429935572 /nfs/dbraw/zinc/93/55/72/429935572.db2.gz NCUQFXNBTUCQDS-IBGZPJMESA-N 2 1 311.429 2.771 20 0 DFADMP COc1ncc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000639654771 429935577 /nfs/dbraw/zinc/93/55/77/429935577.db2.gz NCUQFXNBTUCQDS-IBGZPJMESA-N 2 1 311.429 2.771 20 0 DFADMP COc1ncc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC000639654771 429935582 /nfs/dbraw/zinc/93/55/82/429935582.db2.gz NCUQFXNBTUCQDS-IBGZPJMESA-N 2 1 311.429 2.771 20 0 DFADMP COc1ncc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC000639654771 429935587 /nfs/dbraw/zinc/93/55/87/429935587.db2.gz NCUQFXNBTUCQDS-IBGZPJMESA-N 2 1 311.429 2.771 20 0 DFADMP CCc1[nH+]c2ccccc2c(N2CC[N@@H+]3CCOC[C@@H]3C2)c1C ZINC000557470677 429941480 /nfs/dbraw/zinc/94/14/80/429941480.db2.gz XHWDCDXNCBMXPC-HNNXBMFYSA-N 2 1 311.429 2.626 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682033 429943943 /nfs/dbraw/zinc/94/39/43/429943943.db2.gz FFIZQUBWTHYBPV-UHFFFAOYSA-N 2 1 324.428 2.541 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682033 429943946 /nfs/dbraw/zinc/94/39/46/429943946.db2.gz FFIZQUBWTHYBPV-UHFFFAOYSA-N 2 1 324.428 2.541 20 0 DFADMP CSC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000574444305 430042795 /nfs/dbraw/zinc/04/27/95/430042795.db2.gz XDWJKTMMIKGKOW-YJBOKZPZSA-N 2 1 322.518 2.875 20 0 DFADMP Cc1cc(NC(=O)N[C@@H](c2nccn2C)C2CC2)cn2cc[nH+]c12 ZINC000560443200 430042965 /nfs/dbraw/zinc/04/29/65/430042965.db2.gz AUABDXFULPKFOV-CQSZACIVSA-N 2 1 324.388 2.649 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000574462573 430044451 /nfs/dbraw/zinc/04/44/51/430044451.db2.gz IYGHIBGNMKLRSI-MLGOLLRUSA-N 2 1 302.397 2.631 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000574462573 430044455 /nfs/dbraw/zinc/04/44/55/430044455.db2.gz IYGHIBGNMKLRSI-MLGOLLRUSA-N 2 1 302.397 2.631 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCCC(=O)NCC(C)C)CC1 ZINC000639986592 430047043 /nfs/dbraw/zinc/04/70/43/430047043.db2.gz PCNQZOTZSGIMRR-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989835 /nfs/dbraw/zinc/98/98/35/429989835.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989841 /nfs/dbraw/zinc/98/98/41/429989841.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989846 /nfs/dbraw/zinc/98/98/46/429989846.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 2 1 315.505 2.889 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989848 /nfs/dbraw/zinc/98/98/48/429989848.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 2 1 315.505 2.889 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748957 429989853 /nfs/dbraw/zinc/98/98/53/429989853.db2.gz MCONTTGQWRRCND-HOJAQTOUSA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@@H+](CCCn1ccnc1C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639821609 429992196 /nfs/dbraw/zinc/99/21/96/429992196.db2.gz VFWZWVZYTIHCTE-AWEZNQCLSA-N 2 1 318.387 2.540 20 0 DFADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639821609 429992199 /nfs/dbraw/zinc/99/21/99/429992199.db2.gz VFWZWVZYTIHCTE-AWEZNQCLSA-N 2 1 318.387 2.540 20 0 DFADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@H]1CCN(CC(F)(F)F)C1 ZINC000639821609 429992203 /nfs/dbraw/zinc/99/22/03/429992203.db2.gz VFWZWVZYTIHCTE-AWEZNQCLSA-N 2 1 318.387 2.540 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032835 430004314 /nfs/dbraw/zinc/00/43/14/430004314.db2.gz YHPXPXVIRFSMGO-HNNXBMFYSA-N 2 1 321.440 2.784 20 0 DFADMP CC[C@@H]1C[NH+](CCCC[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000559702153 430011576 /nfs/dbraw/zinc/01/15/76/430011576.db2.gz JDAMZFMUUTYQGY-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@@H]1C[N@H+](CCCC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000559702153 430011581 /nfs/dbraw/zinc/01/15/81/430011581.db2.gz JDAMZFMUUTYQGY-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCC[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000559702153 430011586 /nfs/dbraw/zinc/01/15/86/430011586.db2.gz JDAMZFMUUTYQGY-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CC(C)c1ncc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)s1 ZINC000574200526 430020731 /nfs/dbraw/zinc/02/07/31/430020731.db2.gz CFPLTPGYURDDOG-UHFFFAOYSA-N 2 1 312.527 2.582 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000634734073 430093507 /nfs/dbraw/zinc/09/35/07/430093507.db2.gz WECLZCAXNMWFEO-OKZBNKHCSA-N 2 1 301.478 2.848 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530221382 430105781 /nfs/dbraw/zinc/10/57/81/430105781.db2.gz PYFLITYSXUTGNR-BHIYHBOVSA-N 2 1 313.489 2.771 20 0 DFADMP OC[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000562103378 430108689 /nfs/dbraw/zinc/10/86/89/430108689.db2.gz PFITWCBBPHQDJS-HAGHYFMRSA-N 2 1 314.473 2.790 20 0 DFADMP OC[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000562103383 430108850 /nfs/dbraw/zinc/10/88/50/430108850.db2.gz PFITWCBBPHQDJS-YSTOQKLRSA-N 2 1 314.473 2.790 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000560524805 430053495 /nfs/dbraw/zinc/05/34/95/430053495.db2.gz QJLPEHGQNKPINC-HAGHYFMRSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000560524805 430053497 /nfs/dbraw/zinc/05/34/97/430053497.db2.gz QJLPEHGQNKPINC-HAGHYFMRSA-N 2 1 316.489 2.894 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000560583453 430056556 /nfs/dbraw/zinc/05/65/56/430056556.db2.gz YHWMLOPSDHAVDZ-IKGGRYGDSA-N 2 1 304.482 2.910 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000560583453 430056558 /nfs/dbraw/zinc/05/65/58/430056558.db2.gz YHWMLOPSDHAVDZ-IKGGRYGDSA-N 2 1 304.482 2.910 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000640016114 430056816 /nfs/dbraw/zinc/05/68/16/430056816.db2.gz UKGYKVULJKRWTQ-KRWDZBQOSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598034 430056921 /nfs/dbraw/zinc/05/69/21/430056921.db2.gz QCTNXSTYURCRFY-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CCCCN(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637869280 430153755 /nfs/dbraw/zinc/15/37/55/430153755.db2.gz KWQMLPHLMLVEJS-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(C)(C)n2cncn2)CC1 ZINC000637906191 430167724 /nfs/dbraw/zinc/16/77/24/430167724.db2.gz RJMCXDJRSBBEET-INIZCTEOSA-N 2 1 321.513 2.846 20 0 DFADMP CC[C@@H](CO)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000580722599 430146748 /nfs/dbraw/zinc/14/67/48/430146748.db2.gz VRTCNUSIAPZNGJ-KRWDZBQOSA-N 2 1 301.434 2.626 20 0 DFADMP CC[C@@H](CO)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000580722599 430146753 /nfs/dbraw/zinc/14/67/53/430146753.db2.gz VRTCNUSIAPZNGJ-KRWDZBQOSA-N 2 1 301.434 2.626 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289479858 277046004 /nfs/dbraw/zinc/04/60/04/277046004.db2.gz NZTXTLSOUQKHTP-OALUTQOASA-N 2 1 313.489 2.998 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289479858 277046007 /nfs/dbraw/zinc/04/60/07/277046007.db2.gz NZTXTLSOUQKHTP-OALUTQOASA-N 2 1 313.489 2.998 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289479858 277046008 /nfs/dbraw/zinc/04/60/08/277046008.db2.gz NZTXTLSOUQKHTP-OALUTQOASA-N 2 1 313.489 2.998 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872068 277046476 /nfs/dbraw/zinc/04/64/76/277046476.db2.gz WPAUZWDOOGOGAU-ZWKOTPCHSA-N 2 1 306.425 2.593 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872068 277046478 /nfs/dbraw/zinc/04/64/78/277046478.db2.gz WPAUZWDOOGOGAU-ZWKOTPCHSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872068 277046479 /nfs/dbraw/zinc/04/64/79/277046479.db2.gz WPAUZWDOOGOGAU-ZWKOTPCHSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872068 277046480 /nfs/dbraw/zinc/04/64/80/277046480.db2.gz WPAUZWDOOGOGAU-ZWKOTPCHSA-N 2 1 306.425 2.593 20 0 DFADMP C[C@H](Cc1ccccc1Br)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995867 430186695 /nfs/dbraw/zinc/18/66/95/430186695.db2.gz RFJVIFIGZRTOGP-XIKARTHZSA-N 2 1 309.251 2.722 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@@H]1C[NH3+] ZINC000634996282 430187057 /nfs/dbraw/zinc/18/70/57/430187057.db2.gz FONCQSQBZPZKMH-HOCLYGCPSA-N 2 1 310.445 2.748 20 0 DFADMP Brc1ccccc1C1(C[NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000634995491 430187086 /nfs/dbraw/zinc/18/70/86/430187086.db2.gz GVEWMZGREJPTIY-UHFFFAOYSA-N 2 1 321.262 2.822 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC000634995149 430187488 /nfs/dbraw/zinc/18/74/88/430187488.db2.gz WOSUZNSQDNLASU-QAPCUYQASA-N 2 1 308.429 2.515 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC000634995149 430187491 /nfs/dbraw/zinc/18/74/91/430187491.db2.gz WOSUZNSQDNLASU-QAPCUYQASA-N 2 1 308.429 2.515 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000165629306 277073327 /nfs/dbraw/zinc/07/33/27/277073327.db2.gz JCWOKPLSMXLYPS-GLJUWKHASA-N 2 1 303.450 2.506 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(-c2ccc(N)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000634995195 430187786 /nfs/dbraw/zinc/18/77/86/430187786.db2.gz YAASKNKEZCCVCO-GOEBONIOSA-N 2 1 310.445 2.809 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000634998781 430188938 /nfs/dbraw/zinc/18/89/38/430188938.db2.gz KZNONKVBRNSJIR-KGLIPLIRSA-N 2 1 307.869 2.967 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000634998781 430188941 /nfs/dbraw/zinc/18/89/41/430188941.db2.gz KZNONKVBRNSJIR-KGLIPLIRSA-N 2 1 307.869 2.967 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000635000477 430189149 /nfs/dbraw/zinc/18/91/49/430189149.db2.gz PCVRGQLNWCQQLB-WCQYABFASA-N 2 1 312.841 2.774 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000635000477 430189150 /nfs/dbraw/zinc/18/91/50/430189150.db2.gz PCVRGQLNWCQQLB-WCQYABFASA-N 2 1 312.841 2.774 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000634998019 430190053 /nfs/dbraw/zinc/19/00/53/430190053.db2.gz YSKBVJTUFNKSSH-LNSITVRQSA-N 2 1 316.367 2.717 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000635002972 430191103 /nfs/dbraw/zinc/19/11/03/430191103.db2.gz CSRKHEKPSLYECV-QXCFHYIPSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000635002972 430191107 /nfs/dbraw/zinc/19/11/07/430191107.db2.gz CSRKHEKPSLYECV-QXCFHYIPSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000635002972 430191109 /nfs/dbraw/zinc/19/11/09/430191109.db2.gz CSRKHEKPSLYECV-QXCFHYIPSA-N 3 1 301.478 2.614 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530613 430191183 /nfs/dbraw/zinc/19/11/83/430191183.db2.gz FBTGJSXRRJADBZ-KRWDZBQOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000635003228 430192476 /nfs/dbraw/zinc/19/24/76/430192476.db2.gz ASWKKHMMLZZSEE-GPRLLCNNSA-N 2 1 321.262 2.817 20 0 DFADMP CC(C)CCNC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530615 430192702 /nfs/dbraw/zinc/19/27/02/430192702.db2.gz FBTGJSXRRJADBZ-QGZVFWFLSA-N 2 1 311.514 2.735 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@@H]2CCC[C@H]21 ZINC000375788250 277172259 /nfs/dbraw/zinc/17/22/59/277172259.db2.gz IPLJFRWRMOLJCR-YESZJQIVSA-N 2 1 316.445 2.810 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@H]21 ZINC000367638982 277172287 /nfs/dbraw/zinc/17/22/87/277172287.db2.gz SLIVCHSJKIQJJL-CEXWTWQISA-N 2 1 310.445 2.835 20 0 DFADMP CC(C)C1(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000637985415 430196427 /nfs/dbraw/zinc/19/64/27/430196427.db2.gz QVAOSLJBBMRTCD-HDICACEKSA-N 2 1 307.526 2.913 20 0 DFADMP c1ccc(C[C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000581315841 430197221 /nfs/dbraw/zinc/19/72/21/430197221.db2.gz VICPDNJTAMLNAE-OAQYLSRUSA-N 2 1 322.452 2.776 20 0 DFADMP C[C@H](N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000635020907 430197236 /nfs/dbraw/zinc/19/72/36/430197236.db2.gz NNATWJAHBZKDKC-QFBILLFUSA-N 2 1 301.478 2.629 20 0 DFADMP c1ccc(C[C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000581315841 430197225 /nfs/dbraw/zinc/19/72/25/430197225.db2.gz VICPDNJTAMLNAE-OAQYLSRUSA-N 2 1 322.452 2.776 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953376 430197521 /nfs/dbraw/zinc/19/75/21/430197521.db2.gz KJHYEKUEYZUDKB-CABCVRRESA-N 2 1 316.367 2.813 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953376 430197524 /nfs/dbraw/zinc/19/75/24/430197524.db2.gz KJHYEKUEYZUDKB-CABCVRRESA-N 2 1 316.367 2.813 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953376 430197528 /nfs/dbraw/zinc/19/75/28/430197528.db2.gz KJHYEKUEYZUDKB-CABCVRRESA-N 2 1 316.367 2.813 20 0 DFADMP COCC[C@H](COC)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353642424 277239983 /nfs/dbraw/zinc/23/99/83/277239983.db2.gz LMRBAWNAFDSOHJ-BHIYHBOVSA-N 2 1 320.477 2.538 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000638063407 430223000 /nfs/dbraw/zinc/22/30/00/430223000.db2.gz DSXAESMPUBZMHD-CJNGLKHVSA-N 2 1 323.868 2.591 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000638064393 430223889 /nfs/dbraw/zinc/22/38/89/430223889.db2.gz SYRZBCWDJNEKQI-JKSUJKDBSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000355152309 277390415 /nfs/dbraw/zinc/39/04/15/277390415.db2.gz RLZQDLKDTASJCJ-ZWKOTPCHSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000355152309 277390417 /nfs/dbraw/zinc/39/04/17/277390417.db2.gz RLZQDLKDTASJCJ-ZWKOTPCHSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000355152309 277390420 /nfs/dbraw/zinc/39/04/20/277390420.db2.gz RLZQDLKDTASJCJ-ZWKOTPCHSA-N 2 1 323.525 2.735 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000635280742 430244271 /nfs/dbraw/zinc/24/42/71/430244271.db2.gz WCCHVEACPSOMAT-GDBMZVCRSA-N 2 1 323.506 2.589 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccns2)CC1 ZINC000638131606 430245867 /nfs/dbraw/zinc/24/58/67/430245867.db2.gz LQTBDPQPJYTVFM-UHFFFAOYSA-N 2 1 311.495 2.714 20 0 DFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3nccnc3c2)C1 ZINC000638135707 430249429 /nfs/dbraw/zinc/24/94/29/430249429.db2.gz WCSDTRLVMWPPQX-QGZVFWFLSA-N 2 1 310.445 2.794 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3nccnc3c2)C1 ZINC000638135707 430249431 /nfs/dbraw/zinc/24/94/31/430249431.db2.gz WCSDTRLVMWPPQX-QGZVFWFLSA-N 2 1 310.445 2.794 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3nccnc3c2)C1 ZINC000638135707 430249436 /nfs/dbraw/zinc/24/94/36/430249436.db2.gz WCSDTRLVMWPPQX-QGZVFWFLSA-N 2 1 310.445 2.794 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3nccnc3c2)C1 ZINC000638135707 430249438 /nfs/dbraw/zinc/24/94/38/430249438.db2.gz WCSDTRLVMWPPQX-QGZVFWFLSA-N 2 1 310.445 2.794 20 0 DFADMP COc1cncc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1C ZINC000638147426 430252780 /nfs/dbraw/zinc/25/27/80/430252780.db2.gz SEEUDMKRFYDVPQ-MRXNPFEDSA-N 2 1 300.406 2.568 20 0 DFADMP C[N@@H+](C[C@H](O)CNc1cccc(Oc2ccncc2)c1)C1CC1 ZINC000581998738 430258888 /nfs/dbraw/zinc/25/88/88/430258888.db2.gz VEDSJIYFBDBRRV-MRXNPFEDSA-N 2 1 313.401 2.741 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000635348862 430259525 /nfs/dbraw/zinc/25/95/25/430259525.db2.gz MUIFOMVZROCKSC-LSDHHAIUSA-N 2 1 303.450 2.807 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000635348861 430259570 /nfs/dbraw/zinc/25/95/70/430259570.db2.gz MUIFOMVZROCKSC-HUUCEWRRSA-N 2 1 303.450 2.807 20 0 DFADMP C[C@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+]1CC(C)C1 ZINC000566435450 430262111 /nfs/dbraw/zinc/26/21/11/430262111.db2.gz JDEVWFNVHKZJGT-MRXNPFEDSA-N 2 1 315.461 2.604 20 0 DFADMP COc1ccccc1[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000566481608 430266221 /nfs/dbraw/zinc/26/62/21/430266221.db2.gz GXWBUSJBPBQJMJ-BQFCYCMXSA-N 2 1 317.477 2.692 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000635404007 430268381 /nfs/dbraw/zinc/26/83/81/430268381.db2.gz KJQPNTHGLCQZJH-UHFFFAOYSA-N 2 1 320.481 2.587 20 0 DFADMP C[C@H](Cc1ccsc1)[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000544008750 430270471 /nfs/dbraw/zinc/27/04/71/430270471.db2.gz PBZHCQUDTIPNDL-BSWAZPDLSA-N 2 1 308.491 2.863 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000635407493 430271226 /nfs/dbraw/zinc/27/12/26/430271226.db2.gz ZEMKDXXXUZVATI-YJBOKZPZSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000638217166 430275239 /nfs/dbraw/zinc/27/52/39/430275239.db2.gz MZRNGKCYWZQIKY-HOTGVXAUSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180956 430275568 /nfs/dbraw/zinc/27/55/68/430275568.db2.gz YJLVRJKKIYHCBJ-RYRKJORJSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180956 430275572 /nfs/dbraw/zinc/27/55/72/430275572.db2.gz YJLVRJKKIYHCBJ-RYRKJORJSA-N 2 1 302.462 2.790 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635189067 430226794 /nfs/dbraw/zinc/22/67/94/430226794.db2.gz OKWIOHUXLCJWNF-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]([NH3+])CCC(C)C)c1 ZINC000638078842 430227861 /nfs/dbraw/zinc/22/78/61/430227861.db2.gz HAWMBHIXABSGRP-QGZVFWFLSA-N 2 1 305.466 2.518 20 0 DFADMP CC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000638079624 430228661 /nfs/dbraw/zinc/22/86/61/430228661.db2.gz PASJAOLPKUOSCI-RYRKJORJSA-N 2 1 317.477 2.668 20 0 DFADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542852048 430229791 /nfs/dbraw/zinc/22/97/91/430229791.db2.gz OSWWUPLURXVNBR-AYOQOUSVSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000565829460 430230021 /nfs/dbraw/zinc/23/00/21/430230021.db2.gz RFXSZDQZVKJXFJ-HKUYNNGSSA-N 2 1 302.462 2.842 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000565829460 430230026 /nfs/dbraw/zinc/23/00/26/430230026.db2.gz RFXSZDQZVKJXFJ-HKUYNNGSSA-N 2 1 302.462 2.842 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000638086990 430232820 /nfs/dbraw/zinc/23/28/20/430232820.db2.gz YSSJKXVBCQOBKO-SQNIBIBYSA-N 2 1 323.525 2.863 20 0 DFADMP c1ccc(N2CC[C@H](C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113328 430239164 /nfs/dbraw/zinc/23/91/64/430239164.db2.gz RSPIEMGAFYOTEU-RBUKOAKNSA-N 2 1 313.489 2.931 20 0 DFADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000566108657 430240475 /nfs/dbraw/zinc/24/04/75/430240475.db2.gz XKMUCYGIZSFIFM-OAQYLSRUSA-N 2 1 324.468 2.960 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000641170097 430349963 /nfs/dbraw/zinc/34/99/63/430349963.db2.gz VSCBSPJSCVNIGK-GOSISDBHSA-N 2 1 319.497 2.569 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308870 430288188 /nfs/dbraw/zinc/28/81/88/430288188.db2.gz AQCXHUUDBPZQPO-WFASDCNBSA-N 2 1 304.825 2.837 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308870 430288190 /nfs/dbraw/zinc/28/81/90/430288190.db2.gz AQCXHUUDBPZQPO-WFASDCNBSA-N 2 1 304.825 2.837 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635493980 430291956 /nfs/dbraw/zinc/29/19/56/430291956.db2.gz GAAFZKDAEOQPIM-JKSUJKDBSA-N 2 1 317.477 2.574 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638298396 430297658 /nfs/dbraw/zinc/29/76/58/430297658.db2.gz OYXDTVNQGZGLNS-HKUYNNGSSA-N 2 1 310.445 2.841 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638298396 430297661 /nfs/dbraw/zinc/29/76/61/430297661.db2.gz OYXDTVNQGZGLNS-HKUYNNGSSA-N 2 1 310.445 2.841 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CC1(F)F ZINC000638304965 430299408 /nfs/dbraw/zinc/29/94/08/430299408.db2.gz NODGWRBGXAQIMN-XJKSGUPXSA-N 2 1 310.388 2.652 20 0 DFADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000638308541 430300697 /nfs/dbraw/zinc/30/06/97/430300697.db2.gz KBSHUOJMLZVAAS-FUHWJXTLSA-N 2 1 317.477 2.545 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[NH+](C2CCCC2)CC1)C1CCCCC1 ZINC000545309815 430314762 /nfs/dbraw/zinc/31/47/62/430314762.db2.gz KDFAAYGNGOVKRH-UHFFFAOYSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC1(F)F ZINC000638367192 430318397 /nfs/dbraw/zinc/31/83/97/430318397.db2.gz MTTNQROJQREBCI-RHSMWYFYSA-N 2 1 323.431 2.567 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000568103737 430318704 /nfs/dbraw/zinc/31/87/04/430318704.db2.gz IYPFJCPNGVSHIV-RDJZCZTQSA-N 2 1 311.429 2.972 20 0 DFADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000638409389 430333532 /nfs/dbraw/zinc/33/35/32/430333532.db2.gz KZKLFCKRLQUPTI-PMPSAXMXSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000638409389 430333535 /nfs/dbraw/zinc/33/35/35/430333535.db2.gz KZKLFCKRLQUPTI-PMPSAXMXSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638408584 430333890 /nfs/dbraw/zinc/33/38/90/430333890.db2.gz OQULNWFMUWAPNW-VVLHAWIVSA-N 2 1 323.525 2.780 20 0 DFADMP CC(C)O[C@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000638410813 430333964 /nfs/dbraw/zinc/33/39/64/430333964.db2.gz CUHOREYJAKNLLH-RTBURBONSA-N 2 1 320.477 2.589 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638411220 430334518 /nfs/dbraw/zinc/33/45/18/430334518.db2.gz LTWIZGUPAJZCNJ-MJGOQNOKSA-N 2 1 310.445 2.841 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638411220 430334521 /nfs/dbraw/zinc/33/45/21/430334521.db2.gz LTWIZGUPAJZCNJ-MJGOQNOKSA-N 2 1 310.445 2.841 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCC23CCC3)c2cccs2)CC1 ZINC000582832937 430338182 /nfs/dbraw/zinc/33/81/82/430338182.db2.gz FVVBWWVCWAZJNX-DOTOQJQBSA-N 2 1 319.518 2.959 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CSCc3ccccc32)CC1 ZINC000638424739 430338872 /nfs/dbraw/zinc/33/88/72/430338872.db2.gz FBHWSEHZIRKJDM-KRWDZBQOSA-N 2 1 320.502 2.799 20 0 DFADMP CCC[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000546016868 430342401 /nfs/dbraw/zinc/34/24/01/430342401.db2.gz KFLLABQRMJKKAC-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000568351105 430346881 /nfs/dbraw/zinc/34/68/81/430346881.db2.gz ODSBKECODKUPIH-KRWDZBQOSA-N 2 1 321.896 2.943 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]CC3CCSCC3)C2)nc(C)[nH+]1 ZINC000638535013 430370352 /nfs/dbraw/zinc/37/03/52/430370352.db2.gz ZOZYBVLGVWBWCO-INIZCTEOSA-N 2 1 320.506 2.795 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CS[C@H](C)C3)C2)nc(C)[nH+]1 ZINC000638534598 430370475 /nfs/dbraw/zinc/37/04/75/430370475.db2.gz XRFNJZNRKHREHW-VHDGCEQUSA-N 2 1 306.479 2.546 20 0 DFADMP C[N@H+](CC[NH2+]C[C@H]1CCN(c2ccccc2)C1)C1CCCC1 ZINC000638545208 430374022 /nfs/dbraw/zinc/37/40/22/430374022.db2.gz PRHSUNPTKWEJQV-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP C[N@@H+](CC[NH2+]C[C@H]1CCN(c2ccccc2)C1)C1CCCC1 ZINC000638545208 430374025 /nfs/dbraw/zinc/37/40/25/430374025.db2.gz PRHSUNPTKWEJQV-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000635787424 430377742 /nfs/dbraw/zinc/37/77/42/430377742.db2.gz MVQNVGYSKDVEBD-JKSUJKDBSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000635787424 430377745 /nfs/dbraw/zinc/37/77/45/430377745.db2.gz MVQNVGYSKDVEBD-JKSUJKDBSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000635787424 430377748 /nfs/dbraw/zinc/37/77/48/430377748.db2.gz MVQNVGYSKDVEBD-JKSUJKDBSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1F)C1CCCC1 ZINC000568659720 430379091 /nfs/dbraw/zinc/37/90/91/430379091.db2.gz ICYVYKOVUDJDEI-GOSISDBHSA-N 2 1 322.468 2.925 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1F)C1CCCC1 ZINC000568659720 430379093 /nfs/dbraw/zinc/37/90/93/430379093.db2.gz ICYVYKOVUDJDEI-GOSISDBHSA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000568659720 430379097 /nfs/dbraw/zinc/37/90/97/430379097.db2.gz ICYVYKOVUDJDEI-GOSISDBHSA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000568659720 430379100 /nfs/dbraw/zinc/37/91/00/430379100.db2.gz ICYVYKOVUDJDEI-GOSISDBHSA-N 2 1 322.468 2.925 20 0 DFADMP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000568756387 430389095 /nfs/dbraw/zinc/38/90/95/430389095.db2.gz GMLJFRIBGDRPLY-JFIYKMOQSA-N 2 1 317.477 2.703 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(O[C@@H]2CCOC2)c1 ZINC000583434946 430394029 /nfs/dbraw/zinc/39/40/29/430394029.db2.gz UAGJNEDYEGHYBJ-JFIYKMOQSA-N 2 1 318.461 2.640 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000583499702 430401726 /nfs/dbraw/zinc/40/17/26/430401726.db2.gz VJMNSJNMKOCVJJ-MOPGFXCFSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000583499702 430401731 /nfs/dbraw/zinc/40/17/31/430401731.db2.gz VJMNSJNMKOCVJJ-MOPGFXCFSA-N 2 1 314.473 2.934 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]CCc3cnccn3)CC23CC3)cc1 ZINC000568881575 430402824 /nfs/dbraw/zinc/40/28/24/430402824.db2.gz JUDSAUNYERWKMO-SFHVURJKSA-N 2 1 322.456 2.806 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCc3cnccn3)CC23CC3)cc1 ZINC000568881575 430402827 /nfs/dbraw/zinc/40/28/27/430402827.db2.gz JUDSAUNYERWKMO-SFHVURJKSA-N 2 1 322.456 2.806 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638676625 430406371 /nfs/dbraw/zinc/40/63/71/430406371.db2.gz OGCIHTISIIXCIW-YEWFCNIMSA-N 2 1 302.462 2.961 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638676625 430406374 /nfs/dbraw/zinc/40/63/74/430406374.db2.gz OGCIHTISIIXCIW-YEWFCNIMSA-N 2 1 302.462 2.961 20 0 DFADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557709 430406742 /nfs/dbraw/zinc/40/67/42/430406742.db2.gz XFCYRFAJEHMFRH-AEFFLSMTSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H](C(=O)N(C)CCCC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000641662235 430437775 /nfs/dbraw/zinc/43/77/75/430437775.db2.gz ZVJIKIRUWDTENJ-KSZLIROESA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548061006 430444645 /nfs/dbraw/zinc/44/46/45/430444645.db2.gz GKFDXPUDULYWKO-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](c2cccnc2)C1 ZINC000569364513 430447499 /nfs/dbraw/zinc/44/74/99/430447499.db2.gz CCTYKMIBDHGEMO-KRWDZBQOSA-N 2 1 319.412 2.960 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnc(C3CC3)nc2)CC1 ZINC000584098786 430458702 /nfs/dbraw/zinc/45/87/02/430458702.db2.gz SUZQUQQPTWNNMB-UHFFFAOYSA-N 2 1 302.466 2.906 20 0 DFADMP Nc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000641746657 430460721 /nfs/dbraw/zinc/46/07/21/430460721.db2.gz BSHATQFEQAVCMJ-WSTZPKSXSA-N 2 1 322.456 2.664 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000584160945 430464578 /nfs/dbraw/zinc/46/45/78/430464578.db2.gz FNHISTPCMCSHDS-UHFFFAOYSA-N 2 1 318.465 2.744 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180514 430466576 /nfs/dbraw/zinc/46/65/76/430466576.db2.gz QVXAPQOMHXNQIZ-ICSRJNTNSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+](C)C[C@H](O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180514 430466579 /nfs/dbraw/zinc/46/65/79/430466579.db2.gz QVXAPQOMHXNQIZ-ICSRJNTNSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180514 430466583 /nfs/dbraw/zinc/46/65/83/430466583.db2.gz QVXAPQOMHXNQIZ-ICSRJNTNSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180514 430466586 /nfs/dbraw/zinc/46/65/86/430466586.db2.gz QVXAPQOMHXNQIZ-ICSRJNTNSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180514 430466591 /nfs/dbraw/zinc/46/65/91/430466591.db2.gz QVXAPQOMHXNQIZ-ICSRJNTNSA-N 2 1 316.489 2.669 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180514 430466594 /nfs/dbraw/zinc/46/65/94/430466594.db2.gz QVXAPQOMHXNQIZ-ICSRJNTNSA-N 2 1 316.489 2.669 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180514 430466598 /nfs/dbraw/zinc/46/65/98/430466598.db2.gz QVXAPQOMHXNQIZ-ICSRJNTNSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC000548389265 430468547 /nfs/dbraw/zinc/46/85/47/430468547.db2.gz ZZLDPDWRBMBKQS-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548388491 430468609 /nfs/dbraw/zinc/46/86/09/430468609.db2.gz SODBSZXAWRLOOP-SFHVURJKSA-N 2 1 323.525 2.974 20 0 DFADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548388491 430468610 /nfs/dbraw/zinc/46/86/10/430468610.db2.gz SODBSZXAWRLOOP-SFHVURJKSA-N 2 1 323.525 2.974 20 0 DFADMP CN(CC[C@@H]1CCCC[NH+]1C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548388491 430468614 /nfs/dbraw/zinc/46/86/14/430468614.db2.gz SODBSZXAWRLOOP-SFHVURJKSA-N 2 1 323.525 2.974 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548393226 430468816 /nfs/dbraw/zinc/46/88/16/430468816.db2.gz RXYNMIVZQMOYJY-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP CC(C)C[C@H](NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803206 430476398 /nfs/dbraw/zinc/47/63/98/430476398.db2.gz BKJSCRWUINHLSD-GVDBMIGSSA-N 2 1 317.477 2.605 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641805356 430477734 /nfs/dbraw/zinc/47/77/34/430477734.db2.gz NDNYYCOLDNCWDS-DFBGVHRSSA-N 2 1 323.868 2.575 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803815 430479037 /nfs/dbraw/zinc/47/90/37/430479037.db2.gz HXURPESTERHBLG-VBNZEHGJSA-N 2 1 317.477 2.854 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000641805164 430479118 /nfs/dbraw/zinc/47/91/18/430479118.db2.gz MOLPBJJBDZYDCX-AQUOVQTQSA-N 2 1 313.804 2.522 20 0 DFADMP CN1CC[N@H+](CCNc2cc(C(C)(C)C)ccn2)CC1(C)C ZINC000641552208 430420584 /nfs/dbraw/zinc/42/05/84/430420584.db2.gz GVEYNVBVCVICDZ-UHFFFAOYSA-N 2 1 304.482 2.817 20 0 DFADMP CN1CC[N@@H+](CCNc2cc(C(C)(C)C)ccn2)CC1(C)C ZINC000641552208 430420587 /nfs/dbraw/zinc/42/05/87/430420587.db2.gz GVEYNVBVCVICDZ-UHFFFAOYSA-N 2 1 304.482 2.817 20 0 DFADMP CC[C@](C)(C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)OC ZINC000638972567 430485010 /nfs/dbraw/zinc/48/50/10/430485010.db2.gz VGKNRBUVKZXRCV-RBUKOAKNSA-N 2 1 320.477 2.548 20 0 DFADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000638972102 430485185 /nfs/dbraw/zinc/48/51/85/430485185.db2.gz SMQHARIZTSKEQA-QWHCGFSZSA-N 2 1 309.479 2.894 20 0 DFADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000638972102 430485189 /nfs/dbraw/zinc/48/51/89/430485189.db2.gz SMQHARIZTSKEQA-QWHCGFSZSA-N 2 1 309.479 2.894 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1CCc1ccccc1 ZINC000569937768 430499200 /nfs/dbraw/zinc/49/92/00/430499200.db2.gz NNHPYVCZRZTXOM-OALUTQOASA-N 2 1 304.478 2.786 20 0 DFADMP C[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H]1CC[NH+](C)C1 ZINC000639081458 430513693 /nfs/dbraw/zinc/51/36/93/430513693.db2.gz SFUXLOKOILEIPY-GFCCVEGCSA-N 2 1 305.372 2.897 20 0 DFADMP C[N@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H]1CC[NH+](C)C1 ZINC000639081458 430513695 /nfs/dbraw/zinc/51/36/95/430513695.db2.gz SFUXLOKOILEIPY-GFCCVEGCSA-N 2 1 305.372 2.897 20 0 DFADMP C[NH+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H]1CC[N@H+](C)C1 ZINC000639081458 430513699 /nfs/dbraw/zinc/51/36/99/430513699.db2.gz SFUXLOKOILEIPY-GFCCVEGCSA-N 2 1 305.372 2.897 20 0 DFADMP C[NH+](Cc1ccc2ccc(F)c(F)c2n1)C[C@@H]1CC[N@@H+](C)C1 ZINC000639081458 430513702 /nfs/dbraw/zinc/51/37/02/430513702.db2.gz SFUXLOKOILEIPY-GFCCVEGCSA-N 2 1 305.372 2.897 20 0 DFADMP C[N@@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H]1CC[NH+](C)C1 ZINC000639081459 430515201 /nfs/dbraw/zinc/51/52/01/430515201.db2.gz SFUXLOKOILEIPY-LBPRGKRZSA-N 2 1 305.372 2.897 20 0 DFADMP C[N@H+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H]1CC[NH+](C)C1 ZINC000639081459 430515204 /nfs/dbraw/zinc/51/52/04/430515204.db2.gz SFUXLOKOILEIPY-LBPRGKRZSA-N 2 1 305.372 2.897 20 0 DFADMP C[NH+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H]1CC[N@H+](C)C1 ZINC000639081459 430515207 /nfs/dbraw/zinc/51/52/07/430515207.db2.gz SFUXLOKOILEIPY-LBPRGKRZSA-N 2 1 305.372 2.897 20 0 DFADMP C[NH+](Cc1ccc2ccc(F)c(F)c2n1)C[C@H]1CC[N@@H+](C)C1 ZINC000639081459 430515212 /nfs/dbraw/zinc/51/52/12/430515212.db2.gz SFUXLOKOILEIPY-LBPRGKRZSA-N 2 1 305.372 2.897 20 0 DFADMP C[N@@H+](Cc1ccc(C(F)F)nc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077897 430515366 /nfs/dbraw/zinc/51/53/66/430515366.db2.gz RUPSKROVKKBZGV-CYBMUJFWSA-N 2 1 306.360 2.910 20 0 DFADMP C[N@H+](Cc1ccc(C(F)F)nc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077897 430515372 /nfs/dbraw/zinc/51/53/72/430515372.db2.gz RUPSKROVKKBZGV-CYBMUJFWSA-N 2 1 306.360 2.910 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000549137653 430518612 /nfs/dbraw/zinc/51/86/12/430518612.db2.gz WKXSZENPEOPREK-UHFFFAOYSA-N 2 1 307.486 2.585 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000549137653 430518614 /nfs/dbraw/zinc/51/86/14/430518614.db2.gz WKXSZENPEOPREK-UHFFFAOYSA-N 2 1 307.486 2.585 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325406 430533680 /nfs/dbraw/zinc/53/36/80/430533680.db2.gz WTGOIALFYZLSNH-YXJHDRRASA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325406 430533684 /nfs/dbraw/zinc/53/36/84/430533684.db2.gz WTGOIALFYZLSNH-YXJHDRRASA-N 2 1 306.425 2.507 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133003 430537591 /nfs/dbraw/zinc/53/75/91/430537591.db2.gz FZXYALXXNRKXGI-SOLBZPMBSA-N 2 1 321.509 2.820 20 0 DFADMP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000639133683 430538144 /nfs/dbraw/zinc/53/81/44/430538144.db2.gz VNUFCPSCTINZHZ-SFHVURJKSA-N 2 1 304.482 2.739 20 0 DFADMP CC[C@](C)(C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C)OC ZINC000639155026 430547987 /nfs/dbraw/zinc/54/79/87/430547987.db2.gz LDBCACNIAXYNKU-CGTJXYLNSA-N 2 1 322.497 2.550 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](CN[C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000639170513 430554388 /nfs/dbraw/zinc/55/43/88/430554388.db2.gz UDOQKZBLKXGZLY-GOEBONIOSA-N 2 1 305.470 2.746 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CN[C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000639170513 430554391 /nfs/dbraw/zinc/55/43/91/430554391.db2.gz UDOQKZBLKXGZLY-GOEBONIOSA-N 2 1 305.470 2.746 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCn2ccnc2C1 ZINC000639180501 430557809 /nfs/dbraw/zinc/55/78/09/430557809.db2.gz ZFJNNORZRPFSAN-ROUUACIJSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639180501 430557813 /nfs/dbraw/zinc/55/78/13/430557813.db2.gz ZFJNNORZRPFSAN-ROUUACIJSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639180501 430557814 /nfs/dbraw/zinc/55/78/14/430557814.db2.gz ZFJNNORZRPFSAN-ROUUACIJSA-N 2 1 324.472 2.904 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000639180763 430558013 /nfs/dbraw/zinc/55/80/13/430558013.db2.gz YCMOCNWSYNBDDQ-DNVCBOLYSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000639180763 430558018 /nfs/dbraw/zinc/55/80/18/430558018.db2.gz YCMOCNWSYNBDDQ-DNVCBOLYSA-N 2 1 310.445 2.854 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(F)CC1 ZINC000570662906 430562666 /nfs/dbraw/zinc/56/26/66/430562666.db2.gz QTZMRRIJDGHJIW-IAGOWNOFSA-N 2 1 306.425 2.615 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1(F)CC1 ZINC000570662906 430562671 /nfs/dbraw/zinc/56/26/71/430562671.db2.gz QTZMRRIJDGHJIW-IAGOWNOFSA-N 2 1 306.425 2.615 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@]3(CC[NH+](C)C3)C1)CC2 ZINC000639204617 430571928 /nfs/dbraw/zinc/57/19/28/430571928.db2.gz UKFXILMICPEFLN-LPHOPBHVSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@]3(CC[NH+](C)C3)C1)CC2 ZINC000639204617 430571933 /nfs/dbraw/zinc/57/19/33/430571933.db2.gz UKFXILMICPEFLN-LPHOPBHVSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@]3(CC[N@H+](C)C3)C1)CC2 ZINC000639204617 430571939 /nfs/dbraw/zinc/57/19/39/430571939.db2.gz UKFXILMICPEFLN-LPHOPBHVSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000639204617 430571942 /nfs/dbraw/zinc/57/19/42/430571942.db2.gz UKFXILMICPEFLN-LPHOPBHVSA-N 2 1 316.445 2.719 20 0 DFADMP C[C@@H]1CC[C@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643295762 430575939 /nfs/dbraw/zinc/57/59/39/430575939.db2.gz PYWVERKEPXKBSV-AEFFLSMTSA-N 2 1 318.461 2.506 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@@H]1CNCc1ccccc1OCCCCO ZINC000639303277 430601959 /nfs/dbraw/zinc/60/19/59/430601959.db2.gz OMKPUSOIORAMER-QGZVFWFLSA-N 2 1 320.477 2.800 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H]1CNCc1ccccc1OCCCCO ZINC000639303277 430601963 /nfs/dbraw/zinc/60/19/63/430601963.db2.gz OMKPUSOIORAMER-QGZVFWFLSA-N 2 1 320.477 2.800 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639249678 430588419 /nfs/dbraw/zinc/58/84/19/430588419.db2.gz KVZOMVPITHTFQM-WZGPROSRSA-N 2 1 300.446 2.858 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639249678 430588420 /nfs/dbraw/zinc/58/84/20/430588420.db2.gz KVZOMVPITHTFQM-WZGPROSRSA-N 2 1 300.446 2.858 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639257688 430589128 /nfs/dbraw/zinc/58/91/28/430589128.db2.gz QNGNOFGMLCOVOR-ROUUACIJSA-N 2 1 301.478 2.834 20 0 DFADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCOC1 ZINC000643353312 430590302 /nfs/dbraw/zinc/59/03/02/430590302.db2.gz OZFKWXOVWGBIOZ-GOSISDBHSA-N 2 1 318.461 2.772 20 0 DFADMP COc1ncc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000639286710 430597961 /nfs/dbraw/zinc/59/79/61/430597961.db2.gz SHVBSSRZPNXEGN-ZBFHGGJFSA-N 2 1 317.458 2.587 20 0 DFADMP COc1ncc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)s1 ZINC000639286710 430597964 /nfs/dbraw/zinc/59/79/64/430597964.db2.gz SHVBSSRZPNXEGN-ZBFHGGJFSA-N 2 1 317.458 2.587 20 0 DFADMP COc1ncc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)s1 ZINC000639286710 430597968 /nfs/dbraw/zinc/59/79/68/430597968.db2.gz SHVBSSRZPNXEGN-ZBFHGGJFSA-N 2 1 317.458 2.587 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]CCC2CCOCC2)[C@H](c2ccccc2)C1 ZINC000639285493 430598571 /nfs/dbraw/zinc/59/85/71/430598571.db2.gz GXKIEDRFFSUIBN-MOPGFXCFSA-N 2 1 302.462 2.738 20 0 DFADMP CO[C@@H](C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000639287250 430599861 /nfs/dbraw/zinc/59/98/61/430599861.db2.gz YAUZZGUYOJOYNH-QRVBRYPASA-N 2 1 304.478 2.983 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cnccn2)C1 ZINC000639489157 430653278 /nfs/dbraw/zinc/65/32/78/430653278.db2.gz OOZSKKWZRZPZRR-SJORKVTESA-N 2 1 302.466 2.606 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cnccn2)C1 ZINC000639489157 430653280 /nfs/dbraw/zinc/65/32/80/430653280.db2.gz OOZSKKWZRZPZRR-SJORKVTESA-N 2 1 302.466 2.606 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000639489157 430653283 /nfs/dbraw/zinc/65/32/83/430653283.db2.gz OOZSKKWZRZPZRR-SJORKVTESA-N 2 1 302.466 2.606 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cnccn2)C1 ZINC000639489157 430653285 /nfs/dbraw/zinc/65/32/85/430653285.db2.gz OOZSKKWZRZPZRR-SJORKVTESA-N 2 1 302.466 2.606 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885607 430653588 /nfs/dbraw/zinc/65/35/88/430653588.db2.gz CKAKBNQEKMTYGV-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)c1 ZINC000552967243 430605175 /nfs/dbraw/zinc/60/51/75/430605175.db2.gz JKNYSYCJXHQMJN-OAHLLOKOSA-N 2 1 303.450 2.807 20 0 DFADMP COc1ccc([C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643471034 430605574 /nfs/dbraw/zinc/60/55/74/430605574.db2.gz OWMNDGCPBSCSIL-IWKCEXAMSA-N 2 1 318.461 2.629 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469421 430605795 /nfs/dbraw/zinc/60/57/95/430605795.db2.gz UEDPWNGGRBDYRH-WFASDCNBSA-N 2 1 311.267 2.969 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH2+]C3CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000643507388 430611057 /nfs/dbraw/zinc/61/10/57/430611057.db2.gz BNHKQVJNCVEPCT-AABGKKOBSA-N 2 1 313.489 2.771 20 0 DFADMP Cn1c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc2ccccc21 ZINC000639326774 430611553 /nfs/dbraw/zinc/61/15/53/430611553.db2.gz FRPADGNZFQJNBB-QGZVFWFLSA-N 2 1 313.445 2.521 20 0 DFADMP C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000643522584 430612658 /nfs/dbraw/zinc/61/26/58/430612658.db2.gz POKRBXIIBNWUCY-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@@H](N[C@@H]2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000643522584 430612660 /nfs/dbraw/zinc/61/26/60/430612660.db2.gz POKRBXIIBNWUCY-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP CC(C)n1cncc1C[N@H+]1CC[C@H](OCc2ccccn2)C1 ZINC000639339317 430613857 /nfs/dbraw/zinc/61/38/57/430613857.db2.gz RLBOXSKCZZCPFM-KRWDZBQOSA-N 2 1 300.406 2.650 20 0 DFADMP CC(C)n1cncc1CN1CC[C@H](OCc2ccccn2)C1 ZINC000639339317 430613859 /nfs/dbraw/zinc/61/38/59/430613859.db2.gz RLBOXSKCZZCPFM-KRWDZBQOSA-N 2 1 300.406 2.650 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000643545949 430615499 /nfs/dbraw/zinc/61/54/99/430615499.db2.gz FYEGNDVXLXDMDK-NEWSRXKRSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CN1Cc1ccccc1 ZINC000643545949 430615501 /nfs/dbraw/zinc/61/55/01/430615501.db2.gz FYEGNDVXLXDMDK-NEWSRXKRSA-N 2 1 313.489 2.914 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639351789 430617899 /nfs/dbraw/zinc/61/78/99/430617899.db2.gz AAEAFALFVOCCQL-IAAVTCLWSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639351789 430617902 /nfs/dbraw/zinc/61/79/02/430617902.db2.gz AAEAFALFVOCCQL-IAAVTCLWSA-N 2 1 300.446 2.715 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639351785 430618213 /nfs/dbraw/zinc/61/82/13/430618213.db2.gz AAEAFALFVOCCQL-CGKCLMIXSA-N 2 1 300.446 2.715 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639351785 430618215 /nfs/dbraw/zinc/61/82/15/430618215.db2.gz AAEAFALFVOCCQL-CGKCLMIXSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639389552 430631168 /nfs/dbraw/zinc/63/11/68/430631168.db2.gz KVZOMVPITHTFQM-KANFNMMFSA-N 2 1 300.446 2.858 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639389552 430631169 /nfs/dbraw/zinc/63/11/69/430631169.db2.gz KVZOMVPITHTFQM-KANFNMMFSA-N 2 1 300.446 2.858 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](C)O ZINC000571561116 430636977 /nfs/dbraw/zinc/63/69/77/430636977.db2.gz UBMSTAXLKLMHEA-JQHSSLGASA-N 2 1 302.462 2.933 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](C)O ZINC000571561116 430636979 /nfs/dbraw/zinc/63/69/79/430636979.db2.gz UBMSTAXLKLMHEA-JQHSSLGASA-N 2 1 302.462 2.933 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000554539507 430641295 /nfs/dbraw/zinc/64/12/95/430641295.db2.gz GLCOPGBTXGSTMT-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000554539507 430641298 /nfs/dbraw/zinc/64/12/98/430641298.db2.gz GLCOPGBTXGSTMT-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP C([NH2+][C@@H]1CCC12CCOCC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000554559292 430643875 /nfs/dbraw/zinc/64/38/75/430643875.db2.gz IZRGEPMIUQTWSR-QGZVFWFLSA-N 2 1 322.493 2.570 20 0 DFADMP Cc1ccc(C2CC[NH+](CC(=O)Nc3ccccn3)CC2)cn1 ZINC000639582655 430676114 /nfs/dbraw/zinc/67/61/14/430676114.db2.gz JFCRYEIBNTVTRA-UHFFFAOYSA-N 2 1 310.401 2.603 20 0 DFADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc(CC2CC2)no1 ZINC000639611622 430681449 /nfs/dbraw/zinc/68/14/49/430681449.db2.gz CVEVRNXVLPSCNU-UHFFFAOYSA-N 2 1 317.437 2.693 20 0 DFADMP COc1cncc(/C=C\CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000572359503 430683760 /nfs/dbraw/zinc/68/37/60/430683760.db2.gz KWYXPHRYFRBQLU-DANOYGIBSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cncc(/C=C\CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000572359503 430683763 /nfs/dbraw/zinc/68/37/63/430683763.db2.gz KWYXPHRYFRBQLU-DANOYGIBSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cncc(/C=C\CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000572359503 430683765 /nfs/dbraw/zinc/68/37/65/430683765.db2.gz KWYXPHRYFRBQLU-DANOYGIBSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000192438323 278031898 /nfs/dbraw/zinc/03/18/98/278031898.db2.gz CSNRRSLVVGJJJL-MRXNPFEDSA-N 2 1 300.446 2.769 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000277146570 278035002 /nfs/dbraw/zinc/03/50/02/278035002.db2.gz DKZSJDZCJYJLNV-JQHSSLGASA-N 2 1 300.446 2.769 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000277146570 278035003 /nfs/dbraw/zinc/03/50/03/278035003.db2.gz DKZSJDZCJYJLNV-JQHSSLGASA-N 2 1 300.446 2.769 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000365251485 278035237 /nfs/dbraw/zinc/03/52/37/278035237.db2.gz XFUWTTLTOAOCMO-BBWFWOEESA-N 2 1 300.446 2.769 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)C2 ZINC000277146574 278035638 /nfs/dbraw/zinc/03/56/38/278035638.db2.gz DKZSJDZCJYJLNV-SZMVWBNQSA-N 2 1 300.446 2.769 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)C2 ZINC000277146574 278035639 /nfs/dbraw/zinc/03/56/39/278035639.db2.gz DKZSJDZCJYJLNV-SZMVWBNQSA-N 2 1 300.446 2.769 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000360947509 278051961 /nfs/dbraw/zinc/05/19/61/278051961.db2.gz NSFQTORKJBYTIV-NVXWUHKLSA-N 2 1 317.477 2.594 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000360947509 278051964 /nfs/dbraw/zinc/05/19/64/278051964.db2.gz NSFQTORKJBYTIV-NVXWUHKLSA-N 2 1 317.477 2.594 20 0 DFADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479854 430688379 /nfs/dbraw/zinc/68/83/79/430688379.db2.gz NDYZNWMMPWVPRB-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479854 430688380 /nfs/dbraw/zinc/68/83/80/430688380.db2.gz NDYZNWMMPWVPRB-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479854 430688381 /nfs/dbraw/zinc/68/83/81/430688381.db2.gz NDYZNWMMPWVPRB-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000572392071 430685522 /nfs/dbraw/zinc/68/55/22/430685522.db2.gz HKGAZYYLNKCIIJ-ZACQAIPSSA-N 2 1 323.525 2.911 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000572603094 430692034 /nfs/dbraw/zinc/69/20/34/430692034.db2.gz SVHCIFNBLLEETL-GOSISDBHSA-N 2 1 319.424 2.538 20 0 DFADMP c1nc(C2CC2)sc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000572702827 430694629 /nfs/dbraw/zinc/69/46/29/430694629.db2.gz ROPHHLHGYCRETH-UHFFFAOYSA-N 2 1 302.447 2.685 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)C1CCCCC1 ZINC000556874960 430695402 /nfs/dbraw/zinc/69/54/02/430695402.db2.gz HRNARYJQZMABII-NCXUSEDFSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)(C[NH2+]CCC(=O)Nc1ccccc1)[NH+]1CCCCC1 ZINC000572714012 430695143 /nfs/dbraw/zinc/69/51/43/430695143.db2.gz SBHLJKCXWKBQPW-UHFFFAOYSA-N 2 1 303.450 2.869 20 0 DFADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000109119950 278308685 /nfs/dbraw/zinc/30/86/85/278308685.db2.gz RJMLMTQIKJSAPW-RTXFEEFZSA-N 2 1 300.324 2.797 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1nc2ccccc2n1C ZINC000278918162 278351885 /nfs/dbraw/zinc/35/18/85/278351885.db2.gz HNOQRCROHGPYCM-KGLIPLIRSA-N 2 1 309.417 2.683 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740052 278384869 /nfs/dbraw/zinc/38/48/69/278384869.db2.gz BSRGTLIAPISRDO-CVEARBPZSA-N 2 1 319.497 2.788 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740052 278384870 /nfs/dbraw/zinc/38/48/70/278384870.db2.gz BSRGTLIAPISRDO-CVEARBPZSA-N 2 1 319.497 2.788 20 0 DFADMP Fc1cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Cl ZINC000657752418 430724971 /nfs/dbraw/zinc/72/49/71/430724971.db2.gz ZPEZDFMCMWEUEK-CQSZACIVSA-N 2 1 312.816 2.822 20 0 DFADMP CC(C)[C@H](O)[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657748894 430724991 /nfs/dbraw/zinc/72/49/91/430724991.db2.gz WTBRBVHYLBEPSS-MKXGPGLRSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@H](O)[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657748894 430724994 /nfs/dbraw/zinc/72/49/94/430724994.db2.gz WTBRBVHYLBEPSS-MKXGPGLRSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)(C)c1ncc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000657751956 430725027 /nfs/dbraw/zinc/72/50/27/430725027.db2.gz WUELXGXWNKPACH-CQSZACIVSA-N 2 1 323.506 2.784 20 0 DFADMP Cc1cc(Cl)ccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752212 430725392 /nfs/dbraw/zinc/72/53/92/430725392.db2.gz NLEZJFXURVAKOL-QGZVFWFLSA-N 2 1 308.853 2.991 20 0 DFADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000661472222 430726660 /nfs/dbraw/zinc/72/66/60/430726660.db2.gz APJKEQZTYWGDGU-QGZVFWFLSA-N 2 1 303.406 2.568 20 0 DFADMP COC[C@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000661472525 430728075 /nfs/dbraw/zinc/72/80/75/430728075.db2.gz FNYLHKFWBKMRGE-SFHVURJKSA-N 2 1 317.433 2.958 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccnc1 ZINC000644656057 430781018 /nfs/dbraw/zinc/78/10/18/430781018.db2.gz LZFKZLXBHIWYHS-KRWDZBQOSA-N 2 1 318.465 2.510 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000644654600 430781549 /nfs/dbraw/zinc/78/15/49/430781549.db2.gz KMELKTYLFFNKNP-ACRUOGEOSA-N 2 1 324.468 2.873 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000644654600 430781555 /nfs/dbraw/zinc/78/15/55/430781555.db2.gz KMELKTYLFFNKNP-ACRUOGEOSA-N 2 1 324.468 2.873 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000651221707 430742138 /nfs/dbraw/zinc/74/21/38/430742138.db2.gz CIIUGMUSGZWCFT-HXUWFJFHSA-N 2 1 315.505 2.551 20 0 DFADMP FCC1(CF)CC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000657822736 430747125 /nfs/dbraw/zinc/74/71/25/430747125.db2.gz AFCLDTQZSZAESI-UHFFFAOYSA-N 2 1 324.415 2.696 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864561 430766442 /nfs/dbraw/zinc/76/64/42/430766442.db2.gz AEHICQIYJHVFDW-UHFFFAOYSA-N 2 1 301.438 2.779 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2c[nH]nc2CC(C)(C)C1 ZINC000664864561 430766446 /nfs/dbraw/zinc/76/64/46/430766446.db2.gz AEHICQIYJHVFDW-UHFFFAOYSA-N 2 1 301.438 2.779 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000644602135 430767772 /nfs/dbraw/zinc/76/77/72/430767772.db2.gz KBNWCCFTRGWOMC-HZPDHXFCSA-N 2 1 312.404 2.647 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000644602135 430767773 /nfs/dbraw/zinc/76/77/73/430767773.db2.gz KBNWCCFTRGWOMC-HZPDHXFCSA-N 2 1 312.404 2.647 20 0 DFADMP Cc1ccsc1CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644613280 430768755 /nfs/dbraw/zinc/76/87/55/430768755.db2.gz UXIKMEKTUWYYDN-QGZVFWFLSA-N 2 1 318.486 2.682 20 0 DFADMP Cc1ccsc1CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644613280 430768760 /nfs/dbraw/zinc/76/87/60/430768760.db2.gz UXIKMEKTUWYYDN-QGZVFWFLSA-N 2 1 318.486 2.682 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664878772 430771613 /nfs/dbraw/zinc/77/16/13/430771613.db2.gz VQZMTOQHZYRSIJ-UHFFFAOYSA-N 2 1 315.465 2.790 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1Cc2cnn(C)c2CC(C)(C)C1 ZINC000664878772 430771616 /nfs/dbraw/zinc/77/16/16/430771616.db2.gz VQZMTOQHZYRSIJ-UHFFFAOYSA-N 2 1 315.465 2.790 20 0 DFADMP CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625270 430772236 /nfs/dbraw/zinc/77/22/36/430772236.db2.gz ISVPXOWAANEVGR-GJZGRUSLSA-N 2 1 318.383 2.800 20 0 DFADMP CC[C@@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625270 430772238 /nfs/dbraw/zinc/77/22/38/430772238.db2.gz ISVPXOWAANEVGR-GJZGRUSLSA-N 2 1 318.383 2.800 20 0 DFADMP O=C(CC[NH2+][C@H]1CCc2[nH]cnc2C1)Nc1ccc(Cl)cc1 ZINC000644650815 430778616 /nfs/dbraw/zinc/77/86/16/430778616.db2.gz PNTRYYKTFXXAND-ZDUSSCGKSA-N 2 1 318.808 2.539 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000644654463 430780663 /nfs/dbraw/zinc/78/06/63/430780663.db2.gz RHXSLUFIQMHWOY-DAWZGUTISA-N 2 1 304.478 2.894 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CC(C(C)(C)C)C1 ZINC000644654463 430780668 /nfs/dbraw/zinc/78/06/68/430780668.db2.gz RHXSLUFIQMHWOY-DAWZGUTISA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H](COc1c(F)cccc1F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658177757 430836952 /nfs/dbraw/zinc/83/69/52/430836952.db2.gz ARCLDNKKBFPYEH-LBPRGKRZSA-N 2 1 310.388 2.949 20 0 DFADMP O[C@]12C[C@H]1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000661720070 430819802 /nfs/dbraw/zinc/81/98/02/430819802.db2.gz GUAJGIBWTRWJFP-RBUKOAKNSA-N 2 1 300.446 2.629 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139845 430823392 /nfs/dbraw/zinc/82/33/92/430823392.db2.gz TTWZTYNXAZIKJQ-PMACEKPBSA-N 2 1 314.473 2.922 20 0 DFADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@@H+]1CCn1ccnc1 ZINC000661735921 430823650 /nfs/dbraw/zinc/82/36/50/430823650.db2.gz KNEQDDYXYBAVHW-MRXNPFEDSA-N 2 1 303.381 2.874 20 0 DFADMP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658141584 430823705 /nfs/dbraw/zinc/82/37/05/430823705.db2.gz SMBSHPWQXPMMCP-HNAYVOBHSA-N 2 1 302.462 2.922 20 0 DFADMP Cc1cccc(CN(C)[C@@H]2CC[N@H+](C3CCN(C)CC3)C2)c1F ZINC000648586037 430830137 /nfs/dbraw/zinc/83/01/37/430830137.db2.gz YQBJCUWSHHYOIB-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1F ZINC000648586037 430830144 /nfs/dbraw/zinc/83/01/44/430830144.db2.gz YQBJCUWSHHYOIB-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1F ZINC000648586037 430830149 /nfs/dbraw/zinc/83/01/49/430830149.db2.gz YQBJCUWSHHYOIB-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000644666596 430785083 /nfs/dbraw/zinc/78/50/83/430785083.db2.gz PMMNJRDSKILWRG-OALUTQOASA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000644666596 430785089 /nfs/dbraw/zinc/78/50/89/430785089.db2.gz PMMNJRDSKILWRG-OALUTQOASA-N 2 1 302.462 2.648 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)Cc3ccoc3)C2)nc(C)[nH+]1 ZINC000648446235 430790589 /nfs/dbraw/zinc/79/05/89/430790589.db2.gz PHEXZMUJGXZXLQ-GUYCJALGSA-N 2 1 314.433 2.876 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648454327 430793328 /nfs/dbraw/zinc/79/33/28/430793328.db2.gz COOCNHGWYNVRKU-UXHICEINSA-N 2 1 316.489 2.761 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000658061664 430795129 /nfs/dbraw/zinc/79/51/29/430795129.db2.gz CAAMSZKZHXAQJL-LMMKCTJWSA-N 2 1 319.493 2.912 20 0 DFADMP COC[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000658086027 430805860 /nfs/dbraw/zinc/80/58/60/430805860.db2.gz SYGQOBDXAMKLJV-UHOSZYNNSA-N 2 1 320.477 2.538 20 0 DFADMP COC[C@H](CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000658085588 430806528 /nfs/dbraw/zinc/80/65/28/430806528.db2.gz RFUGTINKDMXCMD-KSSFIOAISA-N 2 1 317.433 2.883 20 0 DFADMP COc1cc(OC)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000651672853 430846116 /nfs/dbraw/zinc/84/61/16/430846116.db2.gz NHIGJOWJFOYTOZ-LBPRGKRZSA-N 2 1 321.396 2.774 20 0 DFADMP COC[C@H](CC(C)(C)C)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000651705469 430852787 /nfs/dbraw/zinc/85/27/87/430852787.db2.gz UJNOIECRNOMMPR-INIZCTEOSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H](NCC1([NH3+])CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665247894 430869080 /nfs/dbraw/zinc/86/90/80/430869080.db2.gz LKFGEAISUVVXQD-FUHWJXTLSA-N 2 1 301.478 2.758 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000648724393 430870983 /nfs/dbraw/zinc/87/09/83/430870983.db2.gz WMUZUWZHYBOVKV-HNNXBMFYSA-N 2 1 320.481 2.728 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000665257415 430872644 /nfs/dbraw/zinc/87/26/44/430872644.db2.gz IQBIENHUNLAKIM-FSPWUOQZSA-N 2 1 306.425 2.676 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000665264679 430874319 /nfs/dbraw/zinc/87/43/19/430874319.db2.gz GBMVTPFIBREBMV-FUHWJXTLSA-N 2 1 310.445 2.880 20 0 DFADMP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000651786127 430875356 /nfs/dbraw/zinc/87/53/56/430875356.db2.gz LYHFHAMPFPVOHQ-JKSUJKDBSA-N 2 1 300.487 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@H](C)C1 ZINC000658331193 430876252 /nfs/dbraw/zinc/87/62/52/430876252.db2.gz MBBQJLZVHZQYDE-ZACQAIPSSA-N 2 1 312.498 2.528 20 0 DFADMP Cc1cc(Br)c(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)s1 ZINC000665266440 430877624 /nfs/dbraw/zinc/87/76/24/430877624.db2.gz BBROIGUUOIOGHH-UWVGGRQHSA-N 2 1 303.269 2.907 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000665273284 430878154 /nfs/dbraw/zinc/87/81/54/430878154.db2.gz SYNSVRUQVCAXNS-CABCVRRESA-N 2 1 304.482 2.620 20 0 DFADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000665274778 430878216 /nfs/dbraw/zinc/87/82/16/430878216.db2.gz YHTFCMGPBUQEMZ-RHQZKXFESA-N 2 1 300.446 2.679 20 0 DFADMP FC1(F)CC12CCC([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC2 ZINC000665274201 430878927 /nfs/dbraw/zinc/87/89/27/430878927.db2.gz LQKQBICZVMEWNI-PQARUHEFSA-N 2 1 314.420 2.701 20 0 DFADMP CC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665289330 430886624 /nfs/dbraw/zinc/88/66/24/430886624.db2.gz LLLWYALZDNVBLA-ZDUSSCGKSA-N 2 1 306.797 2.535 20 0 DFADMP CCCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665291480 430886965 /nfs/dbraw/zinc/88/69/65/430886965.db2.gz CIBVUJLUIINFHE-OAHLLOKOSA-N 2 1 300.406 2.662 20 0 DFADMP COc1cccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1C ZINC000665295030 430888466 /nfs/dbraw/zinc/88/84/66/430888466.db2.gz ZUUJGGJKDHBPJN-UHFFFAOYSA-N 2 1 315.417 2.748 20 0 DFADMP COc1ccc(-c2cc(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)on2)cc1 ZINC000658188261 430837847 /nfs/dbraw/zinc/83/78/47/430837847.db2.gz PSTRJINQDIGENX-DZGCQCFKSA-N 2 1 315.417 2.923 20 0 DFADMP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658189892 430837951 /nfs/dbraw/zinc/83/79/51/430837951.db2.gz ZPUCCHXTVMXAMY-AKHDSKFASA-N 2 1 302.462 2.648 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cnccc2o1 ZINC000651651427 430838678 /nfs/dbraw/zinc/83/86/78/430838678.db2.gz YFJBJWGDPVEQOE-UWWQBHOKSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cnccc2o1 ZINC000651651427 430838685 /nfs/dbraw/zinc/83/86/85/430838685.db2.gz YFJBJWGDPVEQOE-UWWQBHOKSA-N 2 1 315.417 2.511 20 0 DFADMP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000661779904 430838842 /nfs/dbraw/zinc/83/88/42/430838842.db2.gz OLEREKMMSKBHFD-KURKYZTESA-N 2 1 304.482 2.595 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2c1CCC2 ZINC000651651115 430839846 /nfs/dbraw/zinc/83/98/46/430839846.db2.gz LZPVPMJQLHHVON-RLLQIKCJSA-N 2 1 314.473 2.859 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299440 430891100 /nfs/dbraw/zinc/89/11/00/430891100.db2.gz NCNWDASNVFZMIN-DJIMGWMZSA-N 2 1 310.445 2.837 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000648793908 430894353 /nfs/dbraw/zinc/89/43/53/430894353.db2.gz VINIDOVEAAUTTG-ARFHVFGLSA-N 2 1 320.481 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000648793908 430894355 /nfs/dbraw/zinc/89/43/55/430894355.db2.gz VINIDOVEAAUTTG-ARFHVFGLSA-N 2 1 320.481 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000648797889 430896009 /nfs/dbraw/zinc/89/60/09/430896009.db2.gz IRZGBYOEHXCDQI-HZPDHXFCSA-N 2 1 320.481 2.729 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000648797889 430896013 /nfs/dbraw/zinc/89/60/13/430896013.db2.gz IRZGBYOEHXCDQI-HZPDHXFCSA-N 2 1 320.481 2.729 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000651866655 430897872 /nfs/dbraw/zinc/89/78/72/430897872.db2.gz MPQIKHOYYXXMBY-UHFFFAOYSA-N 2 1 300.450 2.940 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CO1 ZINC000651930760 430916172 /nfs/dbraw/zinc/91/61/72/430916172.db2.gz CAHJZMKDIGZXDF-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CO1 ZINC000651930760 430916175 /nfs/dbraw/zinc/91/61/75/430916175.db2.gz CAHJZMKDIGZXDF-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)cc1 ZINC000648875400 430921489 /nfs/dbraw/zinc/92/14/89/430921489.db2.gz MOASBJHUDZFWJW-RHSMWYFYSA-N 2 1 303.450 2.807 20 0 DFADMP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)ccn1 ZINC000651966100 430927442 /nfs/dbraw/zinc/92/74/42/430927442.db2.gz PDUVMBPBWWJLPG-TVFCKZIOSA-N 2 1 301.434 2.518 20 0 DFADMP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645181430 430927648 /nfs/dbraw/zinc/92/76/48/430927648.db2.gz FAQDJBVJJCYTAA-CQSZACIVSA-N 2 1 301.438 2.743 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645181430 430927651 /nfs/dbraw/zinc/92/76/51/430927651.db2.gz FAQDJBVJJCYTAA-CQSZACIVSA-N 2 1 301.438 2.743 20 0 DFADMP c1cc([C@@H]2C[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCO2)ccn1 ZINC000651966097 430928575 /nfs/dbraw/zinc/92/85/75/430928575.db2.gz PDUVMBPBWWJLPG-BDXSIMOUSA-N 2 1 301.434 2.518 20 0 DFADMP COc1ccc(COCC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000645188566 430929217 /nfs/dbraw/zinc/92/92/17/430929217.db2.gz WSCMTOICHFKLPD-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000645188566 430929221 /nfs/dbraw/zinc/92/92/21/430929221.db2.gz WSCMTOICHFKLPD-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000645188566 430929225 /nfs/dbraw/zinc/92/92/25/430929225.db2.gz WSCMTOICHFKLPD-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000645188567 430929983 /nfs/dbraw/zinc/92/99/83/430929983.db2.gz WSCMTOICHFKLPD-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000645188567 430929988 /nfs/dbraw/zinc/92/99/88/430929988.db2.gz WSCMTOICHFKLPD-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000645188567 430929993 /nfs/dbraw/zinc/92/99/93/430929993.db2.gz WSCMTOICHFKLPD-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648906144 430932767 /nfs/dbraw/zinc/93/27/67/430932767.db2.gz HRDXSOOBABORBN-GJZGRUSLSA-N 2 1 308.470 2.633 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648906144 430932769 /nfs/dbraw/zinc/93/27/69/430932769.db2.gz HRDXSOOBABORBN-GJZGRUSLSA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648909143 430933426 /nfs/dbraw/zinc/93/34/26/430933426.db2.gz GNBPYEDDMOMVQE-GJZGRUSLSA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648909143 430933430 /nfs/dbraw/zinc/93/34/30/430933430.db2.gz GNBPYEDDMOMVQE-GJZGRUSLSA-N 2 1 308.470 2.633 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655353712 430974408 /nfs/dbraw/zinc/97/44/08/430974408.db2.gz VMCLMWYQCSVHFZ-LSDHHAIUSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655353712 430974409 /nfs/dbraw/zinc/97/44/09/430974409.db2.gz VMCLMWYQCSVHFZ-LSDHHAIUSA-N 2 1 321.490 2.556 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662148478 430979266 /nfs/dbraw/zinc/97/92/66/430979266.db2.gz KTBOQLLUQYSTQY-FOIQADDNSA-N 2 1 314.473 2.767 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662148478 430979271 /nfs/dbraw/zinc/97/92/71/430979271.db2.gz KTBOQLLUQYSTQY-FOIQADDNSA-N 2 1 314.473 2.767 20 0 DFADMP CC[C@H](c1ccc(F)cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153829 430980952 /nfs/dbraw/zinc/98/09/52/430980952.db2.gz CVFHPZDMVUFYFY-ZWKOTPCHSA-N 2 1 306.425 2.808 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000662148407 430981226 /nfs/dbraw/zinc/98/12/26/430981226.db2.gz KAPZEGGXCMJYHF-PKOBYXMFSA-N 2 1 314.473 2.638 20 0 DFADMP Cc1cc(Cl)ccc1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152731 430981936 /nfs/dbraw/zinc/98/19/36/430981936.db2.gz YKTSNWXAYFZUCJ-KRWDZBQOSA-N 2 1 308.853 2.679 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000662159331 430983231 /nfs/dbraw/zinc/98/32/31/430983231.db2.gz YCWCTIBCEFEJPH-IBGZPJMESA-N 2 1 310.441 2.871 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](CCC2CC2)CC2CC2)CC1 ZINC000662177325 430989449 /nfs/dbraw/zinc/98/94/49/430989449.db2.gz DLHCHFLHPZPXGB-UHFFFAOYSA-N 2 1 307.526 2.915 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339342 431025116 /nfs/dbraw/zinc/02/51/16/431025116.db2.gz OODNPSYZMMEERO-IBGZPJMESA-N 2 1 310.445 2.674 20 0 DFADMP c1ccc(C[C@H]2COCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000652337131 431025992 /nfs/dbraw/zinc/02/59/92/431025992.db2.gz MLBAKSLMXXUMFE-NRFANRHFSA-N 2 1 322.452 2.776 20 0 DFADMP Cn1ccnc1C[N@@H+](CCC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662270015 431026016 /nfs/dbraw/zinc/02/60/16/431026016.db2.gz KTMTYHWHWMDDCH-MRXNPFEDSA-N 2 1 302.466 2.554 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000652351516 431027440 /nfs/dbraw/zinc/02/74/40/431027440.db2.gz BZYLVDLXHDKTEB-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000652351516 431027442 /nfs/dbraw/zinc/02/74/42/431027442.db2.gz BZYLVDLXHDKTEB-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351188 431027539 /nfs/dbraw/zinc/02/75/39/431027539.db2.gz LJSQMPVACROSFF-XUWXXGDYSA-N 2 1 312.417 2.858 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351188 431027543 /nfs/dbraw/zinc/02/75/43/431027543.db2.gz LJSQMPVACROSFF-XUWXXGDYSA-N 2 1 312.417 2.858 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCc3ccsc3)C2)C1 ZINC000652349312 431027824 /nfs/dbraw/zinc/02/78/24/431027824.db2.gz KGFWIRBAECBDFV-BRWVUGGUSA-N 2 1 308.491 2.899 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000662271720 431027964 /nfs/dbraw/zinc/02/79/64/431027964.db2.gz YOABRJXSYVEQBO-ICSRJNTNSA-N 2 1 324.472 2.957 20 0 DFADMP c1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662278296 431030035 /nfs/dbraw/zinc/03/00/35/431030035.db2.gz DVWHRKHXAPQTIX-QGZVFWFLSA-N 2 1 300.446 2.581 20 0 DFADMP c1ccc2c(CC[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)nsc2c1 ZINC000662273542 431030076 /nfs/dbraw/zinc/03/00/76/431030076.db2.gz ODIZOWQSCDLCSO-OKILXGFUSA-N 2 1 301.459 2.770 20 0 DFADMP CCc1nc2c(s1)[C@H]([N@@H+](C)C[C@@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278277 431030986 /nfs/dbraw/zinc/03/09/86/431030986.db2.gz DPJVIZXFDMVZFC-GXTWGEPZSA-N 2 1 321.490 2.536 20 0 DFADMP CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662281718 431032512 /nfs/dbraw/zinc/03/25/12/431032512.db2.gz ZPFMNEFSOMRMGS-SFHVURJKSA-N 2 1 314.473 2.863 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccncc2Cl)C1 ZINC000652363325 431032667 /nfs/dbraw/zinc/03/26/67/431032667.db2.gz AZKSSNLFJDKISO-KBMXLJTQSA-N 2 1 309.841 2.596 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2c(F)cccc2F)C1 ZINC000652363718 431032834 /nfs/dbraw/zinc/03/28/34/431032834.db2.gz LVLSRJXQEKDJQB-JLZZUVOBSA-N 2 1 310.388 2.826 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2F)C1 ZINC000652363719 431033388 /nfs/dbraw/zinc/03/33/88/431033388.db2.gz LVLSRJXQEKDJQB-OAUYIBNBSA-N 2 1 310.388 2.826 20 0 DFADMP FC1(F)CCCC[C@@H]1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662280394 431033673 /nfs/dbraw/zinc/03/36/73/431033673.db2.gz DBBSCMZRUVOXNW-KFWWJZLASA-N 2 1 314.420 2.512 20 0 DFADMP c1coc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662295187 431037440 /nfs/dbraw/zinc/03/74/40/431037440.db2.gz FURGUBHGICNGEA-AWEZNQCLSA-N 2 1 316.405 2.541 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649334940 431069712 /nfs/dbraw/zinc/06/97/12/431069712.db2.gz XMYQLXVNIUJSJF-HZPDHXFCSA-N 2 1 323.868 2.721 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649334940 431069717 /nfs/dbraw/zinc/06/97/17/431069717.db2.gz XMYQLXVNIUJSJF-HZPDHXFCSA-N 2 1 323.868 2.721 20 0 DFADMP CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295906 431038552 /nfs/dbraw/zinc/03/85/52/431038552.db2.gz IQWYIGPLHSVWEF-UKRRQHHQSA-N 2 1 306.454 2.966 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1CC1CCC1 ZINC000662318748 431044527 /nfs/dbraw/zinc/04/45/27/431044527.db2.gz FVWIGQHFXRZGEH-UFYCRDLUSA-N 2 1 316.489 2.962 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ncnn2-c2ccccc2)[C@@H]1CCC[NH3+] ZINC000662317572 431045131 /nfs/dbraw/zinc/04/51/31/431045131.db2.gz RQDNBIYCJDRCGT-NVXWUHKLSA-N 2 1 313.449 2.607 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000662324497 431047045 /nfs/dbraw/zinc/04/70/45/431047045.db2.gz WYEOUUAAADHYNJ-SFHVURJKSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000662324497 431047050 /nfs/dbraw/zinc/04/70/50/431047050.db2.gz WYEOUUAAADHYNJ-SFHVURJKSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](CCc2ccccc2Cl)CCO1 ZINC000662320631 431047831 /nfs/dbraw/zinc/04/78/31/431047831.db2.gz DDTBCPVBVMDYIP-INIZCTEOSA-N 2 1 310.869 2.925 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2ccccc2Cl)CCO1 ZINC000662320631 431047835 /nfs/dbraw/zinc/04/78/35/431047835.db2.gz DDTBCPVBVMDYIP-INIZCTEOSA-N 2 1 310.869 2.925 20 0 DFADMP C[C@H](c1ccc(NC(=O)CCC(C)(C)[NH3+])cc1)[NH+]1CCOCC1 ZINC000649322642 431066997 /nfs/dbraw/zinc/06/69/97/431066997.db2.gz BXAXMGIHJSQGAB-CQSZACIVSA-N 2 1 319.449 2.536 20 0 DFADMP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000659284428 431012585 /nfs/dbraw/zinc/01/25/85/431012585.db2.gz DNUIWDYMHIOWGO-OAHLLOKOSA-N 2 1 303.450 2.855 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2C1 ZINC000655446321 431013395 /nfs/dbraw/zinc/01/33/95/431013395.db2.gz OCLPBJYRAPTWSW-LPHOPBHVSA-N 2 1 313.445 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@]34CCC[NH2+]C4)c2C1 ZINC000655446321 431013399 /nfs/dbraw/zinc/01/33/99/431013399.db2.gz OCLPBJYRAPTWSW-LPHOPBHVSA-N 2 1 313.445 2.740 20 0 DFADMP c1cc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cs1 ZINC000662255205 431014951 /nfs/dbraw/zinc/01/49/51/431014951.db2.gz AVXYHGMQUPCXNY-GOSISDBHSA-N 2 1 314.454 2.967 20 0 DFADMP c1cc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cs1 ZINC000662255205 431014956 /nfs/dbraw/zinc/01/49/56/431014956.db2.gz AVXYHGMQUPCXNY-GOSISDBHSA-N 2 1 314.454 2.967 20 0 DFADMP C[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000659291465 431015011 /nfs/dbraw/zinc/01/50/11/431015011.db2.gz GUEXDCUJDVMHGN-IIDMSEBBSA-N 2 1 315.461 2.600 20 0 DFADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662253823 431015233 /nfs/dbraw/zinc/01/52/33/431015233.db2.gz WZIZKQMHEJCNQF-MSOLQXFVSA-N 2 1 300.446 2.961 20 0 DFADMP C[C@@H]1SCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccccc1 ZINC000662254979 431015407 /nfs/dbraw/zinc/01/54/07/431015407.db2.gz NDDBVYOZPUSBGL-USXIJHARSA-N 2 1 318.486 2.686 20 0 DFADMP c1ccc(C[C@@H]2COCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662251537 431016749 /nfs/dbraw/zinc/01/67/49/431016749.db2.gz GOHSVMMSWHZCSA-HXUWFJFHSA-N 2 1 322.452 2.776 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258046 431017654 /nfs/dbraw/zinc/01/76/54/431017654.db2.gz WHKYVLRIFQGJJM-ZACQAIPSSA-N 2 1 300.446 2.694 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257901 431018391 /nfs/dbraw/zinc/01/83/91/431018391.db2.gz SUFACQAURJPHBK-ROUUACIJSA-N 2 1 320.452 2.846 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000649472061 431109766 /nfs/dbraw/zinc/10/97/66/431109766.db2.gz AEPUOIRTRYMLHD-QGZVFWFLSA-N 2 1 307.869 2.552 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000666086459 431111482 /nfs/dbraw/zinc/11/14/82/431111482.db2.gz SJXIXDWYOLCPAW-FUHWJXTLSA-N 2 1 312.461 2.983 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666084830 431111833 /nfs/dbraw/zinc/11/18/33/431111833.db2.gz LUHWKBAGUZMXRL-OAHLLOKOSA-N 2 1 322.880 2.634 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000649501831 431126364 /nfs/dbraw/zinc/12/63/64/431126364.db2.gz YGMRDNBULAXXAI-JFIYKMOQSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000649501831 431126367 /nfs/dbraw/zinc/12/63/67/431126367.db2.gz YGMRDNBULAXXAI-JFIYKMOQSA-N 2 1 313.445 2.542 20 0 DFADMP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655747215 431114390 /nfs/dbraw/zinc/11/43/90/431114390.db2.gz CDYUZZJOBSYKPL-GUDVDZBRSA-N 2 1 324.509 2.813 20 0 DFADMP COC1CCC(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655753945 431117136 /nfs/dbraw/zinc/11/71/36/431117136.db2.gz GNXGNVGGDJLPNG-KVZIAJEVSA-N 2 1 324.509 2.815 20 0 DFADMP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1F ZINC000655758678 431118245 /nfs/dbraw/zinc/11/82/45/431118245.db2.gz WYYYLGHNEJEPGC-INIZCTEOSA-N 2 1 324.415 2.740 20 0 DFADMP CC(C)(C)OC1CC(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655759150 431118296 /nfs/dbraw/zinc/11/82/96/431118296.db2.gz JMPVKIQCOXRSLZ-IIIMJFFVSA-N 2 1 324.509 2.813 20 0 DFADMP CCCNc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655758814 431118536 /nfs/dbraw/zinc/11/85/36/431118536.db2.gz DRNCWGLRRCXCAM-IBGZPJMESA-N 2 1 317.477 2.851 20 0 DFADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000645941453 431122167 /nfs/dbraw/zinc/12/21/67/431122167.db2.gz NDGMSRPRJOXKII-KSZLIROESA-N 2 1 315.461 2.552 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@@H]1c1cccs1 ZINC000649340913 431071185 /nfs/dbraw/zinc/07/11/85/431071185.db2.gz AMILREJCCAWCOT-XJKSGUPXSA-N 2 1 323.506 2.765 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)c1 ZINC000645800784 431077179 /nfs/dbraw/zinc/07/71/79/431077179.db2.gz WAHBMKIIPYMQAV-IRXDYDNUSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)c1 ZINC000645800784 431077183 /nfs/dbraw/zinc/07/71/83/431077183.db2.gz WAHBMKIIPYMQAV-IRXDYDNUSA-N 2 1 303.450 2.941 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000662592708 431125337 /nfs/dbraw/zinc/12/53/37/431125337.db2.gz JQDDROOEVZWUGL-KGLIPLIRSA-N 2 1 303.450 2.557 20 0 DFADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655686569 431082387 /nfs/dbraw/zinc/08/23/87/431082387.db2.gz LDRAVBOYFCJGJV-SFHVURJKSA-N 2 1 300.446 2.561 20 0 DFADMP Cc1ccccc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655692296 431085092 /nfs/dbraw/zinc/08/50/92/431085092.db2.gz SWLHQGOQDFZRAE-LJQANCHMSA-N 2 1 302.462 2.771 20 0 DFADMP Cc1ccccc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655692293 431085506 /nfs/dbraw/zinc/08/55/06/431085506.db2.gz SWLHQGOQDFZRAE-IBGZPJMESA-N 2 1 302.462 2.771 20 0 DFADMP Cc1ccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655700151 431087505 /nfs/dbraw/zinc/08/75/05/431087505.db2.gz DSOLAGDZVPIVRV-SFHVURJKSA-N 2 1 318.461 2.525 20 0 DFADMP Cc1ccccc1OCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655700991 431089218 /nfs/dbraw/zinc/08/92/18/431089218.db2.gz NTHQHFBPRZIRNO-SFHVURJKSA-N 2 1 318.461 2.607 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655701120 431089678 /nfs/dbraw/zinc/08/96/78/431089678.db2.gz UCBQAGHUQMTLBJ-GOSISDBHSA-N 2 1 302.462 2.991 20 0 DFADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COC1CCCC1 ZINC000655704222 431090091 /nfs/dbraw/zinc/09/00/91/431090091.db2.gz UCUOSXNRNXUCAV-SFHVURJKSA-N 2 1 310.482 2.569 20 0 DFADMP CCN1C[C@@H](C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411424 431093259 /nfs/dbraw/zinc/09/32/59/431093259.db2.gz WPNHOYXTYUTGBA-IAGOWNOFSA-N 2 1 317.477 2.595 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccccn2)cc1 ZINC000649411723 431094543 /nfs/dbraw/zinc/09/45/43/431094543.db2.gz ZHBFLMFZHIJING-APWZRJJASA-N 2 1 311.429 2.970 20 0 DFADMP CCCN(C[C@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649411910 431094568 /nfs/dbraw/zinc/09/45/68/431094568.db2.gz TVEYAQWXLWDVJN-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP CCC[N@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649411910 431094575 /nfs/dbraw/zinc/09/45/75/431094575.db2.gz TVEYAQWXLWDVJN-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649411910 431094578 /nfs/dbraw/zinc/09/45/78/431094578.db2.gz TVEYAQWXLWDVJN-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP c1ccc(CC[NH+]2CCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411304 431094649 /nfs/dbraw/zinc/09/46/49/431094649.db2.gz GKJMTJWKGNNTFB-UHFFFAOYSA-N 2 1 315.505 2.627 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@H](C)SC2)CC1 ZINC000655717928 431095529 /nfs/dbraw/zinc/09/55/29/431095529.db2.gz GBYLFABVQLYKHI-GOEBONIOSA-N 2 1 300.512 2.750 20 0 DFADMP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655716464 431096388 /nfs/dbraw/zinc/09/63/88/431096388.db2.gz YDUDMSFNZNLZNE-APWZRJJASA-N 2 1 302.462 2.941 20 0 DFADMP c1ccc2c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccnc2c1 ZINC000655718261 431096430 /nfs/dbraw/zinc/09/64/30/431096430.db2.gz HQIABHYHVAHRPA-QGZVFWFLSA-N 2 1 311.429 2.578 20 0 DFADMP Cc1cccc([C@@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655716465 431097274 /nfs/dbraw/zinc/09/72/74/431097274.db2.gz YDUDMSFNZNLZNE-LPHOPBHVSA-N 2 1 302.462 2.941 20 0 DFADMP Cc1cccc([C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655716467 431097407 /nfs/dbraw/zinc/09/74/07/431097407.db2.gz YDUDMSFNZNLZNE-VQIMIIECSA-N 2 1 302.462 2.941 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncnc2C)[C@H](C)C1 ZINC000655716498 431097445 /nfs/dbraw/zinc/09/74/45/431097445.db2.gz UNFKRDLIYDENJW-HFTRVMKXSA-N 2 1 320.481 2.573 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncnc2C)[C@H](C)C1 ZINC000655716498 431097447 /nfs/dbraw/zinc/09/74/47/431097447.db2.gz UNFKRDLIYDENJW-HFTRVMKXSA-N 2 1 320.481 2.573 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@H](C)SC3)CC2)nc(C)[nH+]1 ZINC000655720881 431098853 /nfs/dbraw/zinc/09/88/53/431098853.db2.gz IGXWSPGPHDHSOO-XJKSGUPXSA-N 2 1 320.506 2.936 20 0 DFADMP c1ccc(NCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655723123 431100680 /nfs/dbraw/zinc/10/06/80/431100680.db2.gz HGFHJLLIQHVASF-LJQANCHMSA-N 2 1 317.477 2.722 20 0 DFADMP CCOCCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000655722405 431101828 /nfs/dbraw/zinc/10/18/28/431101828.db2.gz ADIACVKARMDNAY-GOSISDBHSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662512322 431102770 /nfs/dbraw/zinc/10/27/70/431102770.db2.gz OMSHDXQAPPILHZ-OAHLLOKOSA-N 2 1 323.440 2.540 20 0 DFADMP Fc1cccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)c1 ZINC000655728533 431103414 /nfs/dbraw/zinc/10/34/14/431103414.db2.gz WGPGLWDPGNTSHQ-SFHVURJKSA-N 2 1 318.436 2.700 20 0 DFADMP Fc1cccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)c1 ZINC000655728532 431103496 /nfs/dbraw/zinc/10/34/96/431103496.db2.gz WGPGLWDPGNTSHQ-GOSISDBHSA-N 2 1 318.436 2.700 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460711 431107773 /nfs/dbraw/zinc/10/77/73/431107773.db2.gz VRKRJYMDWOYUPH-ZWKOTPCHSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000649460711 431107776 /nfs/dbraw/zinc/10/77/76/431107776.db2.gz VRKRJYMDWOYUPH-ZWKOTPCHSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000649460711 431107782 /nfs/dbraw/zinc/10/77/82/431107782.db2.gz VRKRJYMDWOYUPH-ZWKOTPCHSA-N 2 1 313.445 2.635 20 0 DFADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655737642 431108337 /nfs/dbraw/zinc/10/83/37/431108337.db2.gz PVDKKPWFBFRIMN-KURKYZTESA-N 2 1 324.509 2.813 20 0 DFADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000655780456 431134694 /nfs/dbraw/zinc/13/46/94/431134694.db2.gz ZLXFMODRRNRBLP-YJLNNSPDSA-N 2 1 310.445 2.781 20 0 DFADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000655780456 431134700 /nfs/dbraw/zinc/13/47/00/431134700.db2.gz ZLXFMODRRNRBLP-YJLNNSPDSA-N 2 1 310.445 2.781 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC000360947544 279121044 /nfs/dbraw/zinc/12/10/44/279121044.db2.gz NWVDKRABBSIACQ-ROUUACIJSA-N 2 1 323.525 2.735 20 0 DFADMP OC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655777619 431132746 /nfs/dbraw/zinc/13/27/46/431132746.db2.gz XLMWUTLSTYLOKV-RTBURBONSA-N 2 1 324.509 2.551 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(F)(F)F ZINC000655776514 431132825 /nfs/dbraw/zinc/13/28/25/431132825.db2.gz MENYLDZQCYZPCI-OCCSQVGLSA-N 2 1 308.388 2.808 20 0 DFADMP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655779172 431136859 /nfs/dbraw/zinc/13/68/59/431136859.db2.gz DXIGCPLCPOSHMX-BHIYHBOVSA-N 2 1 300.446 2.633 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000293244411 279262139 /nfs/dbraw/zinc/26/21/39/279262139.db2.gz FJVBSRPYYLPPDQ-AWEZNQCLSA-N 2 1 303.450 2.523 20 0 DFADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655792550 431144164 /nfs/dbraw/zinc/14/41/64/431144164.db2.gz LHZMWSOIDBJYHG-ZNMIVQPWSA-N 2 1 320.399 2.950 20 0 DFADMP CCN(C(=O)CC1([NH3+])CC1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662693876 431163978 /nfs/dbraw/zinc/16/39/78/431163978.db2.gz MKUQPRJFOBIGMI-WBVHZDCISA-N 2 1 315.461 2.552 20 0 DFADMP CC[C@@H]1CN(C[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649586102 431175542 /nfs/dbraw/zinc/17/55/42/431175542.db2.gz SBDCNGUQKXQYTB-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649586102 431175550 /nfs/dbraw/zinc/17/55/50/431175550.db2.gz SBDCNGUQKXQYTB-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649586102 431175554 /nfs/dbraw/zinc/17/55/54/431175554.db2.gz SBDCNGUQKXQYTB-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659897595 431176358 /nfs/dbraw/zinc/17/63/58/431176358.db2.gz YKXPRKYJYZCOOI-FUHWJXTLSA-N 2 1 316.489 2.884 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC2([NH3+])CC2)c1 ZINC000662752336 431182818 /nfs/dbraw/zinc/18/28/18/431182818.db2.gz IEAUTTGDOZWLIC-UHFFFAOYSA-N 2 1 317.477 2.806 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CC2CC=CC2)CC1)Cc1ccccc1 ZINC000659912683 431183329 /nfs/dbraw/zinc/18/33/29/431183329.db2.gz PACYOYVPNRGROX-UHFFFAOYSA-N 2 1 313.489 2.702 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@@H]1C ZINC000662743832 431183322 /nfs/dbraw/zinc/18/33/22/431183322.db2.gz VMBYEZPQHHFKEV-QILLFSRXSA-N 2 1 315.461 2.552 20 0 DFADMP CC(C)Oc1ccnc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000649594073 431183536 /nfs/dbraw/zinc/18/35/36/431183536.db2.gz MKHMGUCKJUWNAH-HNNXBMFYSA-N 2 1 314.433 2.760 20 0 DFADMP CC(C)Oc1ccnc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000649594073 431183543 /nfs/dbraw/zinc/18/35/43/431183543.db2.gz MKHMGUCKJUWNAH-HNNXBMFYSA-N 2 1 314.433 2.760 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3CCC[C@H](O)C3)C2)c1 ZINC000659906234 431185876 /nfs/dbraw/zinc/18/58/76/431185876.db2.gz HASQNAJKNXPVBX-ULQDDVLXSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3CCC[C@H](O)C3)C2)c1 ZINC000659906234 431185880 /nfs/dbraw/zinc/18/58/80/431185880.db2.gz HASQNAJKNXPVBX-ULQDDVLXSA-N 2 1 303.450 2.675 20 0 DFADMP CC(C)Oc1ccccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104579 431187562 /nfs/dbraw/zinc/18/75/62/431187562.db2.gz RKOMHEGMDAWLPJ-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP CC(C)Oc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104579 431187573 /nfs/dbraw/zinc/18/75/73/431187573.db2.gz RKOMHEGMDAWLPJ-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP CC(C)Oc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103536 431187840 /nfs/dbraw/zinc/18/78/40/431187840.db2.gz IELCLLPRSIODOY-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP CC(C)Oc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646103536 431187849 /nfs/dbraw/zinc/18/78/49/431187849.db2.gz IELCLLPRSIODOY-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP CCC[C@@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603344 431191450 /nfs/dbraw/zinc/19/14/50/431191450.db2.gz HXKNEPQUKVTCOP-HZPDHXFCSA-N 2 1 310.507 2.971 20 0 DFADMP CCC[C@@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603344 431191457 /nfs/dbraw/zinc/19/14/57/431191457.db2.gz HXKNEPQUKVTCOP-HZPDHXFCSA-N 2 1 310.507 2.971 20 0 DFADMP CCC[C@@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603344 431191465 /nfs/dbraw/zinc/19/14/65/431191465.db2.gz HXKNEPQUKVTCOP-HZPDHXFCSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)[nH+]1 ZINC000659944027 431198517 /nfs/dbraw/zinc/19/85/17/431198517.db2.gz PLYUACHRXMAZDA-KBPBESRZSA-N 2 1 311.376 2.548 20 0 DFADMP Cc1cncc(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000649545608 431152878 /nfs/dbraw/zinc/15/28/78/431152878.db2.gz LDGDZWOXMVEXRK-LJQANCHMSA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cncc(CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000649545608 431152884 /nfs/dbraw/zinc/15/28/84/431152884.db2.gz LDGDZWOXMVEXRK-LJQANCHMSA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cncc(CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000649545608 431152893 /nfs/dbraw/zinc/15/28/93/431152893.db2.gz LDGDZWOXMVEXRK-LJQANCHMSA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cncc(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000649545608 431152896 /nfs/dbraw/zinc/15/28/96/431152896.db2.gz LDGDZWOXMVEXRK-LJQANCHMSA-N 2 1 324.472 2.781 20 0 DFADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668148 431156947 /nfs/dbraw/zinc/15/69/47/431156947.db2.gz IKJINZRZKPCNFB-AEFFLSMTSA-N 2 1 321.509 2.807 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)C1 ZINC000662675079 431159377 /nfs/dbraw/zinc/15/93/77/431159377.db2.gz IZTORSVTYXIMIN-FVQBIDKESA-N 2 1 301.434 2.594 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3([NH3+])CC3)cc2)C1 ZINC000662676430 431160489 /nfs/dbraw/zinc/16/04/89/431160489.db2.gz VLJMBKVYIWNKHY-AWEZNQCLSA-N 2 1 301.434 2.738 20 0 DFADMP Cc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2CC2)cc1C ZINC000659946154 431203455 /nfs/dbraw/zinc/20/34/55/431203455.db2.gz DLUYDVFJVYBVEH-LJQANCHMSA-N 2 1 304.478 2.969 20 0 DFADMP Cc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2CC2)cc1C ZINC000659946154 431203459 /nfs/dbraw/zinc/20/34/59/431203459.db2.gz DLUYDVFJVYBVEH-LJQANCHMSA-N 2 1 304.478 2.969 20 0 DFADMP Cc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)cc1C ZINC000659946154 431203463 /nfs/dbraw/zinc/20/34/63/431203463.db2.gz DLUYDVFJVYBVEH-LJQANCHMSA-N 2 1 304.478 2.969 20 0 DFADMP Cc1ccc(C[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2CC2)cc1C ZINC000659946154 431203468 /nfs/dbraw/zinc/20/34/68/431203468.db2.gz DLUYDVFJVYBVEH-LJQANCHMSA-N 2 1 304.478 2.969 20 0 DFADMP C[N@H+](C[C@@H]1CCC[NH+](C)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659947260 431203774 /nfs/dbraw/zinc/20/37/74/431203774.db2.gz NHGMXLOWPNGXHS-IAGOWNOFSA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C[C@@H]1CCC[N@H+](C)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659947260 431203781 /nfs/dbraw/zinc/20/37/81/431203781.db2.gz NHGMXLOWPNGXHS-IAGOWNOFSA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C[C@@H]1CCC[N@@H+](C)C1)C[C@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000659947260 431203786 /nfs/dbraw/zinc/20/37/86/431203786.db2.gz NHGMXLOWPNGXHS-IAGOWNOFSA-N 2 1 323.525 2.545 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)nc(C)n1 ZINC000659944850 431205859 /nfs/dbraw/zinc/20/58/59/431205859.db2.gz WMUDNCQSJMTFIZ-MRXNPFEDSA-N 2 1 311.433 2.731 20 0 DFADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000646139706 431206795 /nfs/dbraw/zinc/20/67/95/431206795.db2.gz HSQRTHFVORNHNC-HNAYVOBHSA-N 2 1 318.461 2.556 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(CC[NH+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000659975185 431217684 /nfs/dbraw/zinc/21/76/84/431217684.db2.gz VNDUEIHLYFENAM-HCXYKTFWSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(CC[N@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000659975185 431217689 /nfs/dbraw/zinc/21/76/89/431217689.db2.gz VNDUEIHLYFENAM-HCXYKTFWSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(CC[N@@H+]1C[C@H](C)C[C@H](C)C1)CC2 ZINC000659975185 431217694 /nfs/dbraw/zinc/21/76/94/431217694.db2.gz VNDUEIHLYFENAM-HCXYKTFWSA-N 2 1 307.526 2.911 20 0 DFADMP O[C@@H]1CCC[C@H]1[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000659979230 431218456 /nfs/dbraw/zinc/21/84/56/431218456.db2.gz KGQRJRYWSBXCBJ-AQNXPRMDSA-N 2 1 314.473 2.888 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000659979230 431218459 /nfs/dbraw/zinc/21/84/59/431218459.db2.gz KGQRJRYWSBXCBJ-AQNXPRMDSA-N 2 1 314.473 2.888 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000659979230 431218463 /nfs/dbraw/zinc/21/84/63/431218463.db2.gz KGQRJRYWSBXCBJ-AQNXPRMDSA-N 2 1 314.473 2.888 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H](C[NH+](C)CC3CC3)C2)C1 ZINC000659978048 431218955 /nfs/dbraw/zinc/21/89/55/431218955.db2.gz KPNYWIPBDKZFRB-ZIFCJYIRSA-N 2 1 307.526 2.628 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000659978048 431218961 /nfs/dbraw/zinc/21/89/61/431218961.db2.gz KPNYWIPBDKZFRB-ZIFCJYIRSA-N 2 1 307.526 2.628 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000659978048 431218971 /nfs/dbraw/zinc/21/89/71/431218971.db2.gz KPNYWIPBDKZFRB-ZIFCJYIRSA-N 2 1 307.526 2.628 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000659980830 431219440 /nfs/dbraw/zinc/21/94/40/431219440.db2.gz ZQYAZEDRTCLRCY-WDSOQIARSA-N 2 1 304.478 2.641 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000659980830 431219448 /nfs/dbraw/zinc/21/94/48/431219448.db2.gz ZQYAZEDRTCLRCY-WDSOQIARSA-N 2 1 304.478 2.641 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@@H]1C ZINC000659980830 431219453 /nfs/dbraw/zinc/21/94/53/431219453.db2.gz ZQYAZEDRTCLRCY-WDSOQIARSA-N 2 1 304.478 2.641 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[N@@H+]1C ZINC000659984177 431221428 /nfs/dbraw/zinc/22/14/28/431221428.db2.gz DTEAVKJLSXPNJZ-IXDOHACOSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[N@H+]1C ZINC000659984177 431221433 /nfs/dbraw/zinc/22/14/33/431221433.db2.gz DTEAVKJLSXPNJZ-IXDOHACOSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[NH+]1C ZINC000659984177 431221434 /nfs/dbraw/zinc/22/14/34/431221434.db2.gz DTEAVKJLSXPNJZ-IXDOHACOSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[NH+]1C ZINC000659984177 431221438 /nfs/dbraw/zinc/22/14/38/431221438.db2.gz DTEAVKJLSXPNJZ-IXDOHACOSA-N 2 1 323.525 2.686 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](O)C23CCCC3)cc1 ZINC000646229205 431233435 /nfs/dbraw/zinc/23/34/35/431233435.db2.gz LOSHEYWJKFTHIP-GOSISDBHSA-N 2 1 318.461 2.506 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000760 431252469 /nfs/dbraw/zinc/25/24/69/431252469.db2.gz MFUNLKMWUIOKHT-KZNAEPCWSA-N 2 1 321.509 2.522 20 0 DFADMP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663002304 431253547 /nfs/dbraw/zinc/25/35/47/431253547.db2.gz CYFQHXMGGAGLEA-MSOLQXFVSA-N 2 1 321.509 2.522 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663005854 431254043 /nfs/dbraw/zinc/25/40/43/431254043.db2.gz YPEOAVWGOQCDEC-HOCLYGCPSA-N 2 1 315.461 2.558 20 0 DFADMP Cc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(C)n1 ZINC000660116202 431277159 /nfs/dbraw/zinc/27/71/59/431277159.db2.gz WSHMHKCJXMSGGP-MAUKXSAKSA-N 2 1 300.450 2.542 20 0 DFADMP Cc1cccc(F)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666585085 431284301 /nfs/dbraw/zinc/28/43/01/431284301.db2.gz VPYGNRKHMDTRCZ-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1cccc(F)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000666585085 431284309 /nfs/dbraw/zinc/28/43/09/431284309.db2.gz VPYGNRKHMDTRCZ-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000656197092 431304284 /nfs/dbraw/zinc/30/42/84/431304284.db2.gz BURGSFNYCUIYBF-XHSDSOJGSA-N 2 1 307.507 2.820 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000656197092 431304292 /nfs/dbraw/zinc/30/42/92/431304292.db2.gz BURGSFNYCUIYBF-XHSDSOJGSA-N 3 1 307.507 2.820 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000653200713 431305778 /nfs/dbraw/zinc/30/57/78/431305778.db2.gz MYWFPCSOUWDCDW-NVXWUHKLSA-N 2 1 309.498 2.522 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000653200408 431305805 /nfs/dbraw/zinc/30/58/05/431305805.db2.gz CZOGIZYZLCYKGG-SFHVURJKSA-N 2 1 309.498 2.537 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000653200715 431306533 /nfs/dbraw/zinc/30/65/33/431306533.db2.gz MYWFPCSOUWDCDW-WBVHZDCISA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1CC[NH2+]C(C)(C)C ZINC000666636647 431310433 /nfs/dbraw/zinc/31/04/33/431310433.db2.gz AURUTGQCOVDLIT-QGZVFWFLSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](C)[C@H]1C[C@@H](CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656211680 431314578 /nfs/dbraw/zinc/31/45/78/431314578.db2.gz XQPODRBAHMJANF-GASCZTMLSA-N 2 1 317.481 2.855 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000660248103 431342712 /nfs/dbraw/zinc/34/27/12/431342712.db2.gz NTUKQPTYFTVCAN-AYBZRNKSSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000660248103 431342721 /nfs/dbraw/zinc/34/27/21/431342721.db2.gz NTUKQPTYFTVCAN-AYBZRNKSSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](C)C[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000660248103 431342726 /nfs/dbraw/zinc/34/27/26/431342726.db2.gz NTUKQPTYFTVCAN-AYBZRNKSSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](C)C[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000660248103 431342731 /nfs/dbraw/zinc/34/27/31/431342731.db2.gz NTUKQPTYFTVCAN-AYBZRNKSSA-N 2 1 320.477 2.779 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000653298747 431358682 /nfs/dbraw/zinc/35/86/82/431358682.db2.gz FVPHIECNWICKEU-VXGBXAGGSA-N 2 1 302.340 2.896 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000653298747 431358688 /nfs/dbraw/zinc/35/86/88/431358688.db2.gz FVPHIECNWICKEU-VXGBXAGGSA-N 2 1 302.340 2.896 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000653298744 431358845 /nfs/dbraw/zinc/35/88/45/431358845.db2.gz FVPHIECNWICKEU-NEPJUHHUSA-N 2 1 302.340 2.896 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000653298744 431358852 /nfs/dbraw/zinc/35/88/52/431358852.db2.gz FVPHIECNWICKEU-NEPJUHHUSA-N 2 1 302.340 2.896 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416396 431419517 /nfs/dbraw/zinc/41/95/17/431419517.db2.gz QVMNNFDVXQJOLZ-SJORKVTESA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]C2CCC3(CCCO3)CC2)C[C@H](C)O1 ZINC000364948760 288159364 /nfs/dbraw/zinc/15/93/64/288159364.db2.gz FUEZOLCGXRXNEL-LPOKXYRGSA-N 2 1 324.509 2.957 20 0 DFADMP Cc1nc2ccccn2c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346186 431377636 /nfs/dbraw/zinc/37/76/36/431377636.db2.gz QGEQTMZZEDVUTQ-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@H]2CCOC2)cc1 ZINC000656407938 431380297 /nfs/dbraw/zinc/38/02/97/431380297.db2.gz VCXJUPNYOCRUJT-OMZCGLGVSA-N 2 1 312.457 2.618 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2[C@H]2CCOC2)cc1 ZINC000656407938 431380302 /nfs/dbraw/zinc/38/03/02/431380302.db2.gz VCXJUPNYOCRUJT-OMZCGLGVSA-N 2 1 312.457 2.618 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2[C@H]2CCOC2)cc1 ZINC000656407938 431380307 /nfs/dbraw/zinc/38/03/07/431380307.db2.gz VCXJUPNYOCRUJT-OMZCGLGVSA-N 2 1 312.457 2.618 20 0 DFADMP CN(C(=O)CC[NH2+]CC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000663357308 431381629 /nfs/dbraw/zinc/38/16/29/431381629.db2.gz JFUGHYKLYDMSBH-UHFFFAOYSA-N 2 1 303.450 2.504 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)NCC1CCCCC1 ZINC000663362129 431385342 /nfs/dbraw/zinc/38/53/42/431385342.db2.gz YSAXKOXJFIITEW-UHFFFAOYSA-N 2 1 320.481 2.600 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)NCC1CCCCC1 ZINC000663362129 431385345 /nfs/dbraw/zinc/38/53/45/431385345.db2.gz YSAXKOXJFIITEW-UHFFFAOYSA-N 2 1 320.481 2.600 20 0 DFADMP COc1sc(C[NH2+][C@@H]2CCC[NH2+]CC2)cc1Br ZINC000666856366 431386760 /nfs/dbraw/zinc/38/67/60/431386760.db2.gz DIHWTOFHZKNOCJ-SECBINFHSA-N 2 1 319.268 2.751 20 0 DFADMP Fc1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855468 431387466 /nfs/dbraw/zinc/38/74/66/431387466.db2.gz UJSHTWYEHGRUAX-LBPRGKRZSA-N 2 1 301.203 2.820 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(NC[C@@]3(C)CCC[NH2+]C3)n2)C1 ZINC000653472368 431391784 /nfs/dbraw/zinc/39/17/84/431391784.db2.gz NXOUYELCNDQYOL-SFHVURJKSA-N 2 1 317.481 2.905 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[NH2+]1 ZINC000666872574 431393401 /nfs/dbraw/zinc/39/34/01/431393401.db2.gz YPURNFXPAXGGLL-CJNGLKHVSA-N 2 1 318.852 2.815 20 0 DFADMP C[C@H]([NH3+])C1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000653472592 431393856 /nfs/dbraw/zinc/39/38/56/431393856.db2.gz VXLUWDRIUBGGSF-AWEZNQCLSA-N 2 1 317.481 2.667 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)O[C@H](C)C2 ZINC000666998287 431439756 /nfs/dbraw/zinc/43/97/56/431439756.db2.gz LZKDFWFPWVFUTR-CZUORRHYSA-N 2 1 316.445 2.783 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cnc21 ZINC000666998536 431439941 /nfs/dbraw/zinc/43/99/41/431439941.db2.gz ZQGOQVZDFPHWAQ-MRXNPFEDSA-N 2 1 313.449 2.777 20 0 DFADMP CC[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000647012114 431446685 /nfs/dbraw/zinc/44/66/85/431446685.db2.gz OFLAEAYXPAHCFW-KCXAZCMYSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000653594327 431450886 /nfs/dbraw/zinc/45/08/86/431450886.db2.gz MRARASAGNZFSGK-AEFFLSMTSA-N 2 1 307.526 2.771 20 0 DFADMP c1ccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000660476555 431451621 /nfs/dbraw/zinc/45/16/21/431451621.db2.gz ZQGPUNIGQAZHIP-FHWLQOOXSA-N 2 1 300.446 2.729 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000653602121 431453917 /nfs/dbraw/zinc/45/39/17/431453917.db2.gz OLPMIOGWSCMMQA-ZWKOTPCHSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000653607166 431457540 /nfs/dbraw/zinc/45/75/40/431457540.db2.gz WRDXFIMNTMDFLM-NVXWUHKLSA-N 2 1 308.466 2.685 20 0 DFADMP CCN(C)C[C@H](O)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000653607166 431457546 /nfs/dbraw/zinc/45/75/46/431457546.db2.gz WRDXFIMNTMDFLM-NVXWUHKLSA-N 2 1 308.466 2.685 20 0 DFADMP COc1ccccc1C[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663535611 431457901 /nfs/dbraw/zinc/45/79/01/431457901.db2.gz SMBZGKMJRDSORT-UHFFFAOYSA-N 2 1 322.412 2.894 20 0 DFADMP C[C@H]([NH2+]CCCc1cncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000653614043 431459023 /nfs/dbraw/zinc/45/90/23/431459023.db2.gz LKKGGVJGPKWZSL-JKSUJKDBSA-N 3 1 304.482 2.595 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000653614043 431459037 /nfs/dbraw/zinc/45/90/37/431459037.db2.gz LKKGGVJGPKWZSL-JKSUJKDBSA-N 3 1 304.482 2.595 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@@H]3CCC[C@H]3O)C2)s1 ZINC000660496248 431461685 /nfs/dbraw/zinc/46/16/85/431461685.db2.gz FTOPMQOWNNNGMD-USXIJHARSA-N 2 1 308.491 2.724 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@@H]3CCC[C@H]3O)C2)s1 ZINC000660496248 431461689 /nfs/dbraw/zinc/46/16/89/431461689.db2.gz FTOPMQOWNNNGMD-USXIJHARSA-N 2 1 308.491 2.724 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCC[C@H]3O)C2)s1 ZINC000660496248 431461693 /nfs/dbraw/zinc/46/16/93/431461693.db2.gz FTOPMQOWNNNGMD-USXIJHARSA-N 2 1 308.491 2.724 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@@H]3CCC[C@H]3O)C2)s1 ZINC000660496248 431461697 /nfs/dbraw/zinc/46/16/97/431461697.db2.gz FTOPMQOWNNNGMD-USXIJHARSA-N 2 1 308.491 2.724 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660432833 431427690 /nfs/dbraw/zinc/42/76/90/431427690.db2.gz XXEGFTOAGOSECE-UHOSZYNNSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660432833 431427694 /nfs/dbraw/zinc/42/76/94/431427694.db2.gz XXEGFTOAGOSECE-UHOSZYNNSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660432833 431427701 /nfs/dbraw/zinc/42/77/01/431427701.db2.gz XXEGFTOAGOSECE-UHOSZYNNSA-N 2 1 304.478 2.874 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000666975141 431430809 /nfs/dbraw/zinc/43/08/09/431430809.db2.gz ITVIZBIGKSZLDT-CYBMUJFWSA-N 2 1 315.421 2.576 20 0 DFADMP Cc1cc(C)n([C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000653552196 431433469 /nfs/dbraw/zinc/43/34/69/431433469.db2.gz LKXZOEZNSWKVPB-QGZVFWFLSA-N 2 1 301.438 2.503 20 0 DFADMP Cc1cc(C)n([C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000653552196 431433476 /nfs/dbraw/zinc/43/34/76/431433476.db2.gz LKXZOEZNSWKVPB-QGZVFWFLSA-N 2 1 301.438 2.503 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000647217151 431516630 /nfs/dbraw/zinc/51/66/30/431516630.db2.gz BLIHVVSCGOGYKZ-HNNXBMFYSA-N 2 1 316.449 2.810 20 0 DFADMP COc1ccc(C2CC[NH+](CCCc3c[nH+]cn3C)CC2)nc1 ZINC000653776889 431520914 /nfs/dbraw/zinc/52/09/14/431520914.db2.gz RDJSTUUYEBCXQE-UHFFFAOYSA-N 2 1 314.433 2.636 20 0 DFADMP c1cc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc(C2CCCC2)c1 ZINC000656785241 431522349 /nfs/dbraw/zinc/52/23/49/431522349.db2.gz FYGYYPPXEWZBQT-FQEVSTJZSA-N 2 1 313.489 2.824 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647249406 431526828 /nfs/dbraw/zinc/52/68/28/431526828.db2.gz YETYQLJDSFKFRX-HCXYKTFWSA-N 2 1 302.462 2.879 20 0 DFADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc3c2OCO3)[C@H](c2ccccc2)C1 ZINC000647248497 431528405 /nfs/dbraw/zinc/52/84/05/431528405.db2.gz CAIBMRKBNMYBGL-MSOLQXFVSA-N 2 1 324.424 2.850 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc3c2OCO3)[C@H](c2ccccc2)C1 ZINC000647248497 431528412 /nfs/dbraw/zinc/52/84/12/431528412.db2.gz CAIBMRKBNMYBGL-MSOLQXFVSA-N 2 1 324.424 2.850 20 0 DFADMP O[C@@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)C[NH+]1CCCC1 ZINC000656704876 431484333 /nfs/dbraw/zinc/48/43/33/431484333.db2.gz LHBJIXSKFAWRAK-KRWDZBQOSA-N 2 1 316.470 2.961 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000656701538 431485953 /nfs/dbraw/zinc/48/59/53/431485953.db2.gz XCWPJXFHTGEXJX-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000656701538 431485961 /nfs/dbraw/zinc/48/59/61/431485961.db2.gz XCWPJXFHTGEXJX-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000656701538 431485965 /nfs/dbraw/zinc/48/59/65/431485965.db2.gz XCWPJXFHTGEXJX-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000656708399 431489536 /nfs/dbraw/zinc/48/95/36/431489536.db2.gz DJPXPVMLFTWHRT-INDMIFKZSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]2C[C@H]21 ZINC000656708399 431489540 /nfs/dbraw/zinc/48/95/40/431489540.db2.gz DJPXPVMLFTWHRT-INDMIFKZSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000656714361 431491879 /nfs/dbraw/zinc/49/18/79/431491879.db2.gz HNUDTTIQXBXYQN-HZPDHXFCSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000656714361 431491885 /nfs/dbraw/zinc/49/18/85/431491885.db2.gz HNUDTTIQXBXYQN-HZPDHXFCSA-N 2 1 312.404 2.504 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000647179567 431494077 /nfs/dbraw/zinc/49/40/77/431494077.db2.gz DRUPVQYAXBTZEE-SJLPKXTDSA-N 2 1 301.478 2.723 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H](C)C1 ZINC000647339156 431556220 /nfs/dbraw/zinc/55/62/20/431556220.db2.gz JYXCCCKZMFLKLZ-DZOHQFGASA-N 2 1 303.450 2.622 20 0 DFADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647343701 431559887 /nfs/dbraw/zinc/55/98/87/431559887.db2.gz AKLRLXDRLFWQRH-IPELMVKDSA-N 2 1 312.461 2.899 20 0 DFADMP CCn1cc([C@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647343701 431559891 /nfs/dbraw/zinc/55/98/91/431559891.db2.gz AKLRLXDRLFWQRH-IPELMVKDSA-N 2 1 312.461 2.899 20 0 DFADMP CC(C)Oc1ccnc(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660661985 431536705 /nfs/dbraw/zinc/53/67/05/431536705.db2.gz GQUQTPGSUPKMDP-SFHVURJKSA-N 2 1 303.450 2.787 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659622 431537816 /nfs/dbraw/zinc/53/78/16/431537816.db2.gz POAOEINVYSLWHN-IBGZPJMESA-N 2 1 315.461 2.741 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659622 431537823 /nfs/dbraw/zinc/53/78/23/431537823.db2.gz POAOEINVYSLWHN-IBGZPJMESA-N 2 1 315.461 2.741 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659622 431537827 /nfs/dbraw/zinc/53/78/27/431537827.db2.gz POAOEINVYSLWHN-IBGZPJMESA-N 2 1 315.461 2.741 20 0 DFADMP CC(C)C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccncc1 ZINC000647302531 431545095 /nfs/dbraw/zinc/54/50/95/431545095.db2.gz DJWYSEYXNRPPRD-SFHVURJKSA-N 2 1 318.509 2.784 20 0 DFADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000653845210 431551151 /nfs/dbraw/zinc/55/11/51/431551151.db2.gz JYTXOJPKEXJJNB-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1cccc(C)c1C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660694571 431551791 /nfs/dbraw/zinc/55/17/91/431551791.db2.gz FKKHIJQIAOPWQS-UHFFFAOYSA-N 2 1 304.478 2.876 20 0 DFADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn21 ZINC000647364100 431565386 /nfs/dbraw/zinc/56/53/86/431565386.db2.gz RUQXJRKVKXCYRC-KSZLIROESA-N 2 1 312.461 2.648 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707403 431652824 /nfs/dbraw/zinc/65/28/24/431652824.db2.gz FEJZDPRBCLSXFG-XYPHTWIQSA-N 2 1 310.388 2.683 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650707137 431653989 /nfs/dbraw/zinc/65/39/89/431653989.db2.gz ZGXSVDBAQKJXOP-JZXOWHBKSA-N 2 1 306.425 2.852 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000657295045 431654206 /nfs/dbraw/zinc/65/42/06/431654206.db2.gz IALUJTFVWRZSQO-OAHLLOKOSA-N 2 1 318.461 2.817 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000650711201 431655831 /nfs/dbraw/zinc/65/58/31/431655831.db2.gz LJRNXCNGGVPNNS-KDOFPFPSSA-N 3 1 313.449 2.525 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000650710878 431656846 /nfs/dbraw/zinc/65/68/46/431656846.db2.gz BLTTWCBVEFMPBR-MAUKXSAKSA-N 2 1 306.450 2.661 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1CC[NH3+] ZINC000650711154 431657203 /nfs/dbraw/zinc/65/72/03/431657203.db2.gz KASFSVDZVASFQO-RDTXWAMCSA-N 2 1 316.424 2.961 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000650709026 431657655 /nfs/dbraw/zinc/65/76/55/431657655.db2.gz ZNMXUCZBTCQFOI-YJBOKZPZSA-N 2 1 314.408 2.777 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1CC[NH3+] ZINC000650710886 431657844 /nfs/dbraw/zinc/65/78/44/431657844.db2.gz BTQNNKCEQYCMMN-KDOFPFPSSA-N 2 1 315.461 2.528 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708375 431657978 /nfs/dbraw/zinc/65/79/78/431657978.db2.gz YVLJAXUVBKGGDA-BMGDILEWSA-N 2 1 306.425 2.852 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)[C@H]1CC[NH3+] ZINC000650711591 431658755 /nfs/dbraw/zinc/65/87/55/431658755.db2.gz YJHZMGFTWHKLRO-VHDGCEQUSA-N 2 1 309.479 2.944 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)[C@H]1CC[NH3+] ZINC000650711591 431658760 /nfs/dbraw/zinc/65/87/60/431658760.db2.gz YJHZMGFTWHKLRO-VHDGCEQUSA-N 2 1 309.479 2.944 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@H]1CC[NH3+] ZINC000650711841 431658946 /nfs/dbraw/zinc/65/89/46/431658946.db2.gz FZHOYABNYJEUIH-OCCSQVGLSA-N 2 1 319.474 2.549 20 0 DFADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C[C@@H](C)[NH+](CC)CC ZINC000657301393 431659132 /nfs/dbraw/zinc/65/91/32/431659132.db2.gz CLTLBSVNXFUJPI-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)CC[C@@H]1[NH3+] ZINC000647497456 431605437 /nfs/dbraw/zinc/60/54/37/431605437.db2.gz IKMLDZBLJZSOLM-KDOFPFPSSA-N 2 1 316.424 2.879 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)CC[C@@H]1[NH3+] ZINC000647497456 431605442 /nfs/dbraw/zinc/60/54/42/431605442.db2.gz IKMLDZBLJZSOLM-KDOFPFPSSA-N 2 1 316.424 2.879 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498282 431606107 /nfs/dbraw/zinc/60/61/07/431606107.db2.gz DMWWTGKXOBVUKZ-LSDHHAIUSA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498282 431606112 /nfs/dbraw/zinc/60/61/12/431606112.db2.gz DMWWTGKXOBVUKZ-LSDHHAIUSA-N 2 1 322.449 2.662 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647498609 431608174 /nfs/dbraw/zinc/60/81/74/431608174.db2.gz KZKYOIPZHHYKAM-LRDDRELGSA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000647498639 431609696 /nfs/dbraw/zinc/60/96/96/431609696.db2.gz LOJYNMCTFHPPRJ-YOEHRIQHSA-N 2 1 305.441 2.985 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c(F)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000647498639 431609702 /nfs/dbraw/zinc/60/97/02/431609702.db2.gz LOJYNMCTFHPPRJ-YOEHRIQHSA-N 2 1 305.441 2.985 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647498374 431610532 /nfs/dbraw/zinc/61/05/32/431610532.db2.gz GBSJWGCGHDQGKY-YPMHNXCESA-N 2 1 302.340 2.986 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647498374 431610537 /nfs/dbraw/zinc/61/05/37/431610537.db2.gz GBSJWGCGHDQGKY-YPMHNXCESA-N 2 1 302.340 2.986 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccc(OCc3cccnc3)cc2)CC1 ZINC000647531011 431617775 /nfs/dbraw/zinc/61/77/75/431617775.db2.gz VWYWDFUOUKEHFX-UHFFFAOYSA-N 2 1 311.429 2.974 20 0 DFADMP CC(C)([NH3+])CN1CC[NH+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000647537195 431622984 /nfs/dbraw/zinc/62/29/84/431622984.db2.gz GHDXMHBSQZQGOQ-UHFFFAOYSA-N 2 1 315.383 2.560 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543313 431623588 /nfs/dbraw/zinc/62/35/88/431623588.db2.gz KXMJTOTVCOIHPM-MSOLQXFVSA-N 2 1 316.493 2.749 20 0 DFADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545731 431623708 /nfs/dbraw/zinc/62/37/08/431623708.db2.gz JVLFVCOXNRGAIB-UONOGXRCSA-N 2 1 305.491 2.843 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544349 431624378 /nfs/dbraw/zinc/62/43/78/431624378.db2.gz ZEXKGCFCAKFSBH-DLBZAZTESA-N 2 1 304.482 2.984 20 0 DFADMP COCc1nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543067 431624784 /nfs/dbraw/zinc/62/47/84/431624784.db2.gz HAYJPWSSDFXXOD-UONOGXRCSA-N 2 1 309.479 2.501 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647543306 431625613 /nfs/dbraw/zinc/62/56/13/431625613.db2.gz KXFWDWZRHBMNQK-HOTGVXAUSA-N 2 1 318.461 2.915 20 0 DFADMP c1cc2[nH+]ccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2s1 ZINC000664011578 431627420 /nfs/dbraw/zinc/62/74/20/431627420.db2.gz PCGYVJVEERPDFB-UHFFFAOYSA-N 2 1 317.458 2.987 20 0 DFADMP c1cc2[nH+]ccc(N3CCC([N@H+]4CCCOCC4)CC3)c2s1 ZINC000664011578 431627428 /nfs/dbraw/zinc/62/74/28/431627428.db2.gz PCGYVJVEERPDFB-UHFFFAOYSA-N 2 1 317.458 2.987 20 0 DFADMP C[C@H](Cc1ccccc1Br)[NH2+][C@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548804 431628870 /nfs/dbraw/zinc/62/88/70/431628870.db2.gz VEEIGIZUYOEPIT-OUCADQQQSA-N 2 1 311.267 2.968 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650723416 431664164 /nfs/dbraw/zinc/66/41/64/431664164.db2.gz NMEWTXAHXDAVAV-NXHRZFHOSA-N 2 1 306.425 2.995 20 0 DFADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722190 431664456 /nfs/dbraw/zinc/66/44/56/431664456.db2.gz MYHYZXSPCDOUNL-BHIYHBOVSA-N 2 1 318.461 2.946 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650722454 431665655 /nfs/dbraw/zinc/66/56/55/431665655.db2.gz UGZHDFAIJZPIRA-LESCRADOSA-N 2 1 322.424 2.695 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723536 431665687 /nfs/dbraw/zinc/66/56/87/431665687.db2.gz PUMMCHHHDPNZAD-CGTJXYLNSA-N 2 1 306.425 2.995 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000657308470 431666219 /nfs/dbraw/zinc/66/62/19/431666219.db2.gz ZRQSEFGLEIGFNT-WBVHZDCISA-N 2 1 318.461 2.674 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722237 431666186 /nfs/dbraw/zinc/66/61/86/431666186.db2.gz NTPBTDYWUWWKIB-CGTJXYLNSA-N 2 1 304.434 2.556 20 0 DFADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2nc(C)c[nH]2)cc1 ZINC000657312340 431671448 /nfs/dbraw/zinc/67/14/48/431671448.db2.gz GRJLWOINPHYWMN-UHFFFAOYSA-N 2 1 316.449 2.729 20 0 DFADMP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)nn1C)C[NH+]1CCCCC1 ZINC000657316375 431674153 /nfs/dbraw/zinc/67/41/53/431674153.db2.gz DYONOALBKDSCKY-GFCCVEGCSA-N 2 1 318.387 2.651 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000650741448 431675035 /nfs/dbraw/zinc/67/50/35/431675035.db2.gz DRNYNPGWBWLYPP-ZRSRNVLSSA-N 2 1 300.446 2.598 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CO1 ZINC000657329028 431679927 /nfs/dbraw/zinc/67/99/27/431679927.db2.gz HLOIRVSHJWJDRJ-KFKAGJAMSA-N 2 1 318.461 2.564 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CO1 ZINC000657329028 431679934 /nfs/dbraw/zinc/67/99/34/431679934.db2.gz HLOIRVSHJWJDRJ-KFKAGJAMSA-N 2 1 318.461 2.564 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CO1 ZINC000657329408 431681073 /nfs/dbraw/zinc/68/10/73/431681073.db2.gz QMTXAZJEBQSVST-HUUCEWRRSA-N 2 1 303.381 2.977 20 0 DFADMP c1c(CNC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)nn2c1CCC2 ZINC000657335448 431682476 /nfs/dbraw/zinc/68/24/76/431682476.db2.gz QLZLAZFEWRHEGO-SFHVURJKSA-N 2 1 324.472 2.831 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790435 431686558 /nfs/dbraw/zinc/68/65/58/431686558.db2.gz YJLHCICFNYIJHI-BRSBDYLESA-N 3 1 307.526 2.865 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790435 431686562 /nfs/dbraw/zinc/68/65/62/431686562.db2.gz YJLHCICFNYIJHI-BRSBDYLESA-N 3 1 307.526 2.865 20 0 DFADMP COc1ccc2oc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc2c1 ZINC000664196889 431693504 /nfs/dbraw/zinc/69/35/04/431693504.db2.gz WUAOZARNQAMUGI-ZDUSSCGKSA-N 2 1 320.437 2.520 20 0 DFADMP COc1ccc2oc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc2c1 ZINC000664196889 431693510 /nfs/dbraw/zinc/69/35/10/431693510.db2.gz WUAOZARNQAMUGI-ZDUSSCGKSA-N 2 1 320.437 2.520 20 0 DFADMP Cc1cccc2c(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ncnc12 ZINC000664195749 431693987 /nfs/dbraw/zinc/69/39/87/431693987.db2.gz DUMZXVYNBHFFRK-HNNXBMFYSA-N 2 1 315.465 2.622 20 0 DFADMP Cc1cccc2c(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ncnc12 ZINC000664195749 431693990 /nfs/dbraw/zinc/69/39/90/431693990.db2.gz DUMZXVYNBHFFRK-HNNXBMFYSA-N 2 1 315.465 2.622 20 0 DFADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1ccc2ccccc2c1 ZINC000647849105 431706225 /nfs/dbraw/zinc/70/62/25/431706225.db2.gz HTDNYCFTNKXAEO-CABCVRRESA-N 2 1 313.445 2.686 20 0 DFADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1ccc2ccccc2c1 ZINC000647849105 431706230 /nfs/dbraw/zinc/70/62/30/431706230.db2.gz HTDNYCFTNKXAEO-CABCVRRESA-N 2 1 313.445 2.686 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1cccc2ccccc21 ZINC000647849270 431706692 /nfs/dbraw/zinc/70/66/92/431706692.db2.gz NMFALXLCXRUWHX-GJZGRUSLSA-N 2 1 313.445 2.686 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1cccc2ccccc21 ZINC000647849270 431706698 /nfs/dbraw/zinc/70/66/98/431706698.db2.gz NMFALXLCXRUWHX-GJZGRUSLSA-N 2 1 313.445 2.686 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(F)cc1 ZINC000647900941 431723871 /nfs/dbraw/zinc/72/38/71/431723871.db2.gz HVJJYBMWPINBTJ-YOEHRIQHSA-N 2 1 319.424 2.618 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(F)cc1 ZINC000647900940 431724544 /nfs/dbraw/zinc/72/45/44/431724544.db2.gz HVJJYBMWPINBTJ-WMLDXEAASA-N 2 1 319.424 2.618 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647902804 431724595 /nfs/dbraw/zinc/72/45/95/431724595.db2.gz CDOIGTVEXZSTTL-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP CC[C@@H]1C[N@@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647938565 431740857 /nfs/dbraw/zinc/74/08/57/431740857.db2.gz PVUPYHZGHBKKKD-BPQIPLTHSA-N 2 1 317.477 2.655 20 0 DFADMP CC[C@@H]1C[N@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647938565 431740862 /nfs/dbraw/zinc/74/08/62/431740862.db2.gz PVUPYHZGHBKKKD-BPQIPLTHSA-N 2 1 317.477 2.655 20 0 DFADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC[C@H]1[NH3+] ZINC000647938858 431741294 /nfs/dbraw/zinc/74/12/94/431741294.db2.gz WFRZGMVTFHIVCK-BVIKNXMNSA-N 2 1 317.477 2.620 20 0 DFADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC[C@H]1[NH3+] ZINC000647938858 431741299 /nfs/dbraw/zinc/74/12/99/431741299.db2.gz WFRZGMVTFHIVCK-BVIKNXMNSA-N 2 1 317.477 2.620 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429983 431748208 /nfs/dbraw/zinc/74/82/08/431748208.db2.gz OEWPGCIZEWQDCY-CABCVRRESA-N 2 1 302.466 2.572 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429983 431748214 /nfs/dbraw/zinc/74/82/14/431748214.db2.gz OEWPGCIZEWQDCY-CABCVRRESA-N 2 1 302.466 2.572 20 0 DFADMP Cc1ncc(CN[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1C ZINC000657446177 431757041 /nfs/dbraw/zinc/75/70/41/431757041.db2.gz LEXSYAZZAUHLMN-KSSFIOAISA-N 2 1 300.450 2.818 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965076 431757188 /nfs/dbraw/zinc/75/71/88/431757188.db2.gz FVJISMNJBLTEAE-DLBZAZTESA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965076 431757195 /nfs/dbraw/zinc/75/71/95/431757195.db2.gz FVJISMNJBLTEAE-DLBZAZTESA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965076 431757202 /nfs/dbraw/zinc/75/72/02/431757202.db2.gz FVJISMNJBLTEAE-DLBZAZTESA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965076 431757209 /nfs/dbraw/zinc/75/72/09/431757209.db2.gz FVJISMNJBLTEAE-DLBZAZTESA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccccc1 ZINC000647972000 431758289 /nfs/dbraw/zinc/75/82/89/431758289.db2.gz FSGPIPIQVLUBFW-OTWHNJEPSA-N 2 1 304.478 2.689 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976912 431761216 /nfs/dbraw/zinc/76/12/16/431761216.db2.gz VZVMBICPMBJRRL-IXDOHACOSA-N 2 1 315.461 2.725 20 0 DFADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977997 431761677 /nfs/dbraw/zinc/76/16/77/431761677.db2.gz KTOQTNBTLVAEPG-LSDHHAIUSA-N 2 1 303.450 2.765 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975371 431762668 /nfs/dbraw/zinc/76/26/68/431762668.db2.gz YRNTUJQZEZVTPP-DLBZAZTESA-N 2 1 315.461 2.645 20 0 DFADMP Cc1nc(CNc2ccc(Cl)c(CN(C)CCO)c2)[nH]c1C ZINC000657455807 431763070 /nfs/dbraw/zinc/76/30/70/431763070.db2.gz MFDCXFJATCNJEH-UHFFFAOYSA-N 2 1 322.840 2.716 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977803 431763258 /nfs/dbraw/zinc/76/32/58/431763258.db2.gz HSWCMHZTMBSXCW-HOTGVXAUSA-N 2 1 320.481 2.870 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647978810 431763314 /nfs/dbraw/zinc/76/33/14/431763314.db2.gz YKVBFPYRAHSTLO-RBUKOAKNSA-N 2 1 314.473 2.876 20 0 DFADMP Cc1csc2nc(C)nc(NCC[N@@H+](C)CCC[NH+](C)C)c12 ZINC000664248161 431716353 /nfs/dbraw/zinc/71/63/53/431716353.db2.gz PAVMPRQJWHKJRT-UHFFFAOYSA-N 2 1 321.494 2.604 20 0 DFADMP Cc1csc2nc(C)nc(NCC[N@H+](C)CCC[NH+](C)C)c12 ZINC000664248161 431716357 /nfs/dbraw/zinc/71/63/57/431716357.db2.gz PAVMPRQJWHKJRT-UHFFFAOYSA-N 2 1 321.494 2.604 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647881024 431717171 /nfs/dbraw/zinc/71/71/71/431717171.db2.gz VYGAGMQYIAFWNB-AWEZNQCLSA-N 2 1 316.424 2.690 20 0 DFADMP COc1c(C)cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000648071802 431807346 /nfs/dbraw/zinc/80/73/46/431807346.db2.gz UULKOHFSFBKSRV-UHFFFAOYSA-N 2 1 318.461 2.609 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C3CC3)cc1)CCO2 ZINC000648071976 431807622 /nfs/dbraw/zinc/80/76/22/431807622.db2.gz FBCLHTBFOHGOKP-UHFFFAOYSA-N 2 1 300.446 2.861 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C/c1ccc(F)c(F)c1)CCO2 ZINC000648072208 431808272 /nfs/dbraw/zinc/80/82/72/431808272.db2.gz RAMIPKKEHLPTES-NSCUHMNNSA-N 2 1 322.399 2.775 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C/c1ccc(F)c(F)c1)CCO2 ZINC000648072208 431808277 /nfs/dbraw/zinc/80/82/77/431808277.db2.gz RAMIPKKEHLPTES-NSCUHMNNSA-N 2 1 322.399 2.775 20 0 DFADMP Cc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1Cl ZINC000648071913 431809000 /nfs/dbraw/zinc/80/90/00/431809000.db2.gz AONWSFJDIDWVRJ-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP Cc1cc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1Cl ZINC000648071913 431809003 /nfs/dbraw/zinc/80/90/03/431809003.db2.gz AONWSFJDIDWVRJ-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP CSc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000648072014 431809161 /nfs/dbraw/zinc/80/91/61/431809161.db2.gz GYBQXBBKIJLNKQ-UHFFFAOYSA-N 2 1 312.504 2.767 20 0 DFADMP CSc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000648072014 431809165 /nfs/dbraw/zinc/80/91/65/431809165.db2.gz GYBQXBBKIJLNKQ-UHFFFAOYSA-N 2 1 312.504 2.767 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000657562069 431809447 /nfs/dbraw/zinc/80/94/47/431809447.db2.gz FUZRIJVSMYXDEU-SFHVURJKSA-N 2 1 316.493 2.508 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000657562069 431809449 /nfs/dbraw/zinc/80/94/49/431809449.db2.gz FUZRIJVSMYXDEU-SFHVURJKSA-N 2 1 316.493 2.508 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000657483241 431776597 /nfs/dbraw/zinc/77/65/97/431776597.db2.gz NHUBAYRAMJSJGG-MIGBEJBISA-N 2 1 318.461 2.815 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657630410 431829524 /nfs/dbraw/zinc/82/95/24/431829524.db2.gz FHYHGMWBVZQPMC-SFHVURJKSA-N 2 1 300.446 2.952 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)c1 ZINC000360889816 281219862 /nfs/dbraw/zinc/21/98/62/281219862.db2.gz VBZJIILTPPGFJE-ZCNNSNEGSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)c1 ZINC000360889816 281219864 /nfs/dbraw/zinc/21/98/64/281219864.db2.gz VBZJIILTPPGFJE-ZCNNSNEGSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285090744 281309046 /nfs/dbraw/zinc/30/90/46/281309046.db2.gz QEJPNXUBRYKJGC-DLBZAZTESA-N 2 1 311.429 2.761 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285090747 281309213 /nfs/dbraw/zinc/30/92/13/281309213.db2.gz QEJPNXUBRYKJGC-IAGOWNOFSA-N 2 1 311.429 2.761 20 0 DFADMP Cc1ccccc1C[NH+]1CCCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000367215707 281342242 /nfs/dbraw/zinc/34/22/42/281342242.db2.gz LQVZLFUINGCFHX-HXUWFJFHSA-N 2 1 315.505 2.987 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000367215707 281342243 /nfs/dbraw/zinc/34/22/43/281342243.db2.gz LQVZLFUINGCFHX-HXUWFJFHSA-N 2 1 315.505 2.987 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCN(CC[C@H]2CCC[NH+]2C)CC1 ZINC000367215707 281342244 /nfs/dbraw/zinc/34/22/44/281342244.db2.gz LQVZLFUINGCFHX-HXUWFJFHSA-N 2 1 315.505 2.987 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)CCCCC1 ZINC000314871849 282045210 /nfs/dbraw/zinc/04/52/10/282045210.db2.gz YLRZTDFVHBASPF-OLZOCXBDSA-N 2 1 308.388 2.950 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000261906561 290061109 /nfs/dbraw/zinc/06/11/09/290061109.db2.gz PMVSRLOIGLAUCH-GOPGUHFVSA-N 2 1 310.401 2.973 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000436415770 297001796 /nfs/dbraw/zinc/00/17/96/297001796.db2.gz UIUHXZJGGMGGPF-CYBMUJFWSA-N 2 1 322.758 2.515 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000436415770 297001798 /nfs/dbraw/zinc/00/17/98/297001798.db2.gz UIUHXZJGGMGGPF-CYBMUJFWSA-N 2 1 322.758 2.515 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437848972 297071819 /nfs/dbraw/zinc/07/18/19/297071819.db2.gz XILHEGPOVKHPFS-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848972 297071821 /nfs/dbraw/zinc/07/18/21/297071821.db2.gz XILHEGPOVKHPFS-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437848972 297071824 /nfs/dbraw/zinc/07/18/24/297071824.db2.gz XILHEGPOVKHPFS-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437870770 297073022 /nfs/dbraw/zinc/07/30/22/297073022.db2.gz SSLAZBQQFCQNKG-SOLBZPMBSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437870770 297073024 /nfs/dbraw/zinc/07/30/24/297073024.db2.gz SSLAZBQQFCQNKG-SOLBZPMBSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437870770 297073025 /nfs/dbraw/zinc/07/30/25/297073025.db2.gz SSLAZBQQFCQNKG-SOLBZPMBSA-N 2 1 321.509 2.773 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](CC[C@@H]3CCOC3)C1)CCCC2 ZINC000437977099 297075835 /nfs/dbraw/zinc/07/58/35/297075835.db2.gz JAGVPGBXELBERP-HZPDHXFCSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC[C@@H]3CCOC3)C1)CCCC2 ZINC000437977099 297075837 /nfs/dbraw/zinc/07/58/37/297075837.db2.gz JAGVPGBXELBERP-HZPDHXFCSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC[C@@H]3CCOC3)C1)CCCC2 ZINC000437977099 297075839 /nfs/dbraw/zinc/07/58/39/297075839.db2.gz JAGVPGBXELBERP-HZPDHXFCSA-N 2 1 303.450 2.744 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438000905 297076678 /nfs/dbraw/zinc/07/66/78/297076678.db2.gz QOQVDEDHSONNHA-PKOBYXMFSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438000905 297076680 /nfs/dbraw/zinc/07/66/80/297076680.db2.gz QOQVDEDHSONNHA-PKOBYXMFSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000438000905 297076681 /nfs/dbraw/zinc/07/66/81/297076681.db2.gz QOQVDEDHSONNHA-PKOBYXMFSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)CC1 ZINC000438000905 297076683 /nfs/dbraw/zinc/07/66/83/297076683.db2.gz QOQVDEDHSONNHA-PKOBYXMFSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](CC[C@@H]1CCOC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437989324 297076965 /nfs/dbraw/zinc/07/69/65/297076965.db2.gz SUYTULQKGQLOIE-QGZVFWFLSA-N 2 1 303.450 2.656 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494555363 299873299 /nfs/dbraw/zinc/87/32/99/299873299.db2.gz QFZFFWVRVGZIQY-KGLIPLIRSA-N 2 1 313.486 2.752 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)c(C)c1OC ZINC000285478496 295137125 /nfs/dbraw/zinc/13/71/25/295137125.db2.gz BJENHRSAILOXSL-CYBMUJFWSA-N 2 1 306.450 2.627 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](CC2CC[NH2+]CC2)C2CC2)c1 ZINC000237378455 295175585 /nfs/dbraw/zinc/17/55/85/295175585.db2.gz BJDPBXWQAHYKGC-UHFFFAOYSA-N 2 1 304.434 2.668 20 0 DFADMP CCc1nc(C)c([C@@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)s1 ZINC000154342374 295297813 /nfs/dbraw/zinc/29/78/13/295297813.db2.gz BRBBMCBVTITAKN-CQSZACIVSA-N 2 1 324.538 2.692 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167907 295359311 /nfs/dbraw/zinc/35/93/11/295359311.db2.gz ATFCVZGTJKZFTK-HUUCEWRRSA-N 2 1 317.433 2.636 20 0 DFADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412557497 295633681 /nfs/dbraw/zinc/63/36/81/295633681.db2.gz ISFSZFJZMOTBGE-UHFFFAOYSA-N 2 1 316.380 2.601 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000438218153 297085086 /nfs/dbraw/zinc/08/50/86/297085086.db2.gz XWWOCRHVKHWNAE-RBUKOAKNSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000442758832 297204538 /nfs/dbraw/zinc/20/45/38/297204538.db2.gz JUEMEOLMNFLEHT-CABCVRRESA-N 2 1 310.445 2.530 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000442758832 297204540 /nfs/dbraw/zinc/20/45/40/297204540.db2.gz JUEMEOLMNFLEHT-CABCVRRESA-N 2 1 310.445 2.530 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC ZINC000442922281 297211282 /nfs/dbraw/zinc/21/12/82/297211282.db2.gz KEMKEVLCDHGHDB-CQSZACIVSA-N 2 1 322.449 2.663 20 0 DFADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000443055244 297213455 /nfs/dbraw/zinc/21/34/55/297213455.db2.gz AZYKTEFSQPDAAE-HNNXBMFYSA-N 2 1 314.433 2.860 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059889 297213739 /nfs/dbraw/zinc/21/37/39/297213739.db2.gz NSKOZGIEXGMHPF-GVDBMIGSSA-N 2 1 317.477 2.622 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000443059579 297213937 /nfs/dbraw/zinc/21/39/37/297213937.db2.gz NDQHOAQYZWETBH-CJNGLKHVSA-N 2 1 321.852 2.506 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000443059579 297213939 /nfs/dbraw/zinc/21/39/39/297213939.db2.gz NDQHOAQYZWETBH-CJNGLKHVSA-N 2 1 321.852 2.506 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000443059580 297214027 /nfs/dbraw/zinc/21/40/27/297214027.db2.gz NDQHOAQYZWETBH-CZUORRHYSA-N 2 1 321.852 2.506 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000443059580 297214029 /nfs/dbraw/zinc/21/40/29/297214029.db2.gz NDQHOAQYZWETBH-CZUORRHYSA-N 2 1 321.852 2.506 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1(C)C ZINC000443068371 297214928 /nfs/dbraw/zinc/21/49/28/297214928.db2.gz KNBBBOUUEPJPRL-GJZGRUSLSA-N 2 1 313.555 2.522 20 0 DFADMP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443068428 297214965 /nfs/dbraw/zinc/21/49/65/297214965.db2.gz ICOBGTUZEJCNLE-IAGOWNOFSA-N 2 1 317.477 2.541 20 0 DFADMP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCCN1C1CCCCC1 ZINC000443095476 297215825 /nfs/dbraw/zinc/21/58/25/297215825.db2.gz RBWBEZJTFGXLRU-RYQLBKOJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCCN1C1CCCCC1 ZINC000443095476 297215826 /nfs/dbraw/zinc/21/58/26/297215826.db2.gz RBWBEZJTFGXLRU-RYQLBKOJSA-N 2 1 319.493 2.527 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000444609497 297241460 /nfs/dbraw/zinc/24/14/60/297241460.db2.gz NDPXGPQCEQEUSF-INIZCTEOSA-N 2 1 304.478 2.569 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000444609497 297241461 /nfs/dbraw/zinc/24/14/61/297241461.db2.gz NDPXGPQCEQEUSF-INIZCTEOSA-N 2 1 304.478 2.569 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000444620386 297242001 /nfs/dbraw/zinc/24/20/01/297242001.db2.gz UGIOJRMGWSMFDN-QGZVFWFLSA-N 2 1 317.477 2.528 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000444620386 297242002 /nfs/dbraw/zinc/24/20/02/297242002.db2.gz UGIOJRMGWSMFDN-QGZVFWFLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000446921663 297290454 /nfs/dbraw/zinc/29/04/54/297290454.db2.gz HWGKAHNKNSOKAK-OKILXGFUSA-N 2 1 323.506 2.802 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000446921663 297290456 /nfs/dbraw/zinc/29/04/56/297290456.db2.gz HWGKAHNKNSOKAK-OKILXGFUSA-N 2 1 323.506 2.802 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007939 297292595 /nfs/dbraw/zinc/29/25/95/297292595.db2.gz RVKSQZZWDRUIGZ-HOTGVXAUSA-N 2 1 318.465 2.523 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007939 297292597 /nfs/dbraw/zinc/29/25/97/297292597.db2.gz RVKSQZZWDRUIGZ-HOTGVXAUSA-N 2 1 318.465 2.523 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007939 297292598 /nfs/dbraw/zinc/29/25/98/297292598.db2.gz RVKSQZZWDRUIGZ-HOTGVXAUSA-N 2 1 318.465 2.523 20 0 DFADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000447572441 297309012 /nfs/dbraw/zinc/30/90/12/297309012.db2.gz BWYHNSSQBRQXNZ-IXDOHACOSA-N 2 1 304.434 2.624 20 0 DFADMP OC[C@@H](CC(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603720 297310614 /nfs/dbraw/zinc/31/06/14/297310614.db2.gz YRQYULMNBZSUDN-WCXIOVBPSA-N 2 1 324.415 2.788 20 0 DFADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccncc3F)CC2)C[C@H](C)O1 ZINC000449022190 297392799 /nfs/dbraw/zinc/39/27/99/297392799.db2.gz XAABTWHZLRVTNT-GJZGRUSLSA-N 2 1 321.440 2.542 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3cccnc3o2)C1 ZINC000449039564 297395987 /nfs/dbraw/zinc/39/59/87/297395987.db2.gz ZWEBUHBHTZCUHM-MRXNPFEDSA-N 2 1 317.433 2.761 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cccnc2o1 ZINC000449046841 297396944 /nfs/dbraw/zinc/39/69/44/297396944.db2.gz MCIAQGVOZLJDCQ-PVAVHDDUSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cccnc2o1 ZINC000449046841 297396946 /nfs/dbraw/zinc/39/69/46/297396946.db2.gz MCIAQGVOZLJDCQ-PVAVHDDUSA-N 2 1 315.417 2.511 20 0 DFADMP CCn1nnc(C)c1C[NH2+][C@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000449179295 297418304 /nfs/dbraw/zinc/41/83/04/297418304.db2.gz VKIHHASTJJMZCP-CVEARBPZSA-N 2 1 307.486 2.597 20 0 DFADMP CCn1nnc(C)c1C[NH2+]C(C)(C)CC[NH+]1CCCCCC1 ZINC000449255490 297429635 /nfs/dbraw/zinc/42/96/35/297429635.db2.gz DRWWPPSUODLYOQ-UHFFFAOYSA-N 2 1 307.486 2.741 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000449686574 297512617 /nfs/dbraw/zinc/51/26/17/297512617.db2.gz XHUYRUCKUSCQRX-HZPDHXFCSA-N 2 1 323.868 2.591 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000452061946 297918096 /nfs/dbraw/zinc/91/80/96/297918096.db2.gz QXAHFEVRFABCAB-HNNXBMFYSA-N 2 1 305.447 2.747 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]C2CCc3ccccc3CC2)CC1 ZINC000453096834 298061647 /nfs/dbraw/zinc/06/16/47/298061647.db2.gz IMJXGMRRKNCXLC-UHFFFAOYSA-N 2 1 315.505 2.551 20 0 DFADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453124712 298065133 /nfs/dbraw/zinc/06/51/33/298065133.db2.gz OWTZUMMTUIKCBY-GDAAHCPNSA-N 2 1 302.462 2.790 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C23CCC3)[C@H](C)C1 ZINC000453134551 298066262 /nfs/dbraw/zinc/06/62/62/298066262.db2.gz XHPITZRXNJCOQN-XMTFNYHQSA-N 2 1 324.509 2.671 20 0 DFADMP OCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453212325 298071443 /nfs/dbraw/zinc/07/14/43/298071443.db2.gz HVQXQWXZMNPDKU-IPMKNSEASA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453217536 298072678 /nfs/dbraw/zinc/07/26/78/298072678.db2.gz LWROHUVSMFCMQZ-WMZOPIPTSA-N 2 1 310.445 2.519 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)[C@@H](C)C1 ZINC000453223181 298072841 /nfs/dbraw/zinc/07/28/41/298072841.db2.gz LONLVQWUYVPHCM-DLBZAZTESA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H](C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C)C[NH+](C)C ZINC000453243078 298074678 /nfs/dbraw/zinc/07/46/78/298074678.db2.gz RAZXCJNBFYQAOP-HUUCEWRRSA-N 2 1 300.450 2.935 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346524 298086158 /nfs/dbraw/zinc/08/61/58/298086158.db2.gz IGRWUSVFGBPREX-CPUCHLNUSA-N 2 1 316.424 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346524 298086161 /nfs/dbraw/zinc/08/61/61/298086161.db2.gz IGRWUSVFGBPREX-CPUCHLNUSA-N 2 1 316.424 2.830 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(C)cc2C)[C@@H](C)C1 ZINC000453367155 298086877 /nfs/dbraw/zinc/08/68/77/298086877.db2.gz PRICJADTEQDOGV-LPHOPBHVSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(C)cc2C)[C@@H](C)C1 ZINC000453367155 298086879 /nfs/dbraw/zinc/08/68/79/298086879.db2.gz PRICJADTEQDOGV-LPHOPBHVSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnc(C)cc2C)[C@H](C)C1 ZINC000453367152 298086949 /nfs/dbraw/zinc/08/69/49/298086949.db2.gz PRICJADTEQDOGV-APWZRJJASA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnc(C)cc2C)[C@H](C)C1 ZINC000453367152 298086952 /nfs/dbraw/zinc/08/69/52/298086952.db2.gz PRICJADTEQDOGV-APWZRJJASA-N 2 1 319.493 2.925 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000453398866 298089863 /nfs/dbraw/zinc/08/98/63/298089863.db2.gz NHLPRYFRXLNATR-CVEARBPZSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000453398866 298089865 /nfs/dbraw/zinc/08/98/65/298089865.db2.gz NHLPRYFRXLNATR-CVEARBPZSA-N 2 1 304.482 2.910 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453411336 298091662 /nfs/dbraw/zinc/09/16/62/298091662.db2.gz AKEGPDLRVWXVPZ-QRQLOZEOSA-N 2 1 304.478 2.527 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000453626417 298106871 /nfs/dbraw/zinc/10/68/71/298106871.db2.gz GHNNQRUDDRJQEW-YSHGAJCASA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000453626417 298106875 /nfs/dbraw/zinc/10/68/75/298106875.db2.gz GHNNQRUDDRJQEW-YSHGAJCASA-N 2 1 302.462 2.790 20 0 DFADMP c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)[nH]2)cc1 ZINC000455664119 298399019 /nfs/dbraw/zinc/39/90/19/298399019.db2.gz SZIWSDVLHXODEA-INIZCTEOSA-N 2 1 311.433 2.608 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)c2ccccc21 ZINC000496083288 300017242 /nfs/dbraw/zinc/01/72/42/300017242.db2.gz QBQWKZVDZXDNNK-MSOLQXFVSA-N 2 1 323.396 2.878 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(N2CCOC2=O)c1 ZINC000496161542 300023883 /nfs/dbraw/zinc/02/38/83/300023883.db2.gz NQCFDTGFFIJJAG-DAXOMENPSA-N 2 1 303.406 2.564 20 0 DFADMP CC[N@H+](CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000496575058 300082083 /nfs/dbraw/zinc/08/20/83/300082083.db2.gz ZCZFOBCYTWFWIC-AWEZNQCLSA-N 2 1 313.486 2.562 20 0 DFADMP CC[N@@H+](CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000496575058 300082085 /nfs/dbraw/zinc/08/20/85/300082085.db2.gz ZCZFOBCYTWFWIC-AWEZNQCLSA-N 2 1 313.486 2.562 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496962975 300139139 /nfs/dbraw/zinc/13/91/39/300139139.db2.gz NPSFQUXSRXZLHE-UHFFFAOYSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](C)C1(CNC(=O)OC(C)(C)C)CCC1 ZINC000496962975 300139142 /nfs/dbraw/zinc/13/91/42/300139142.db2.gz NPSFQUXSRXZLHE-UHFFFAOYSA-N 2 1 322.453 2.571 20 0 DFADMP O=C(NC1CC1)OC[C@@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000497166341 300171964 /nfs/dbraw/zinc/17/19/64/300171964.db2.gz ZZGCIPXEDGOREI-KRWDZBQOSA-N 2 1 323.481 2.606 20 0 DFADMP O=C(NC1CC1)OC[C@@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000497166341 300171967 /nfs/dbraw/zinc/17/19/67/300171967.db2.gz ZZGCIPXEDGOREI-KRWDZBQOSA-N 2 1 323.481 2.606 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000514734964 300269037 /nfs/dbraw/zinc/26/90/37/300269037.db2.gz QSKDCXAGILWNON-MISYRCLQSA-N 2 1 315.505 2.623 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)O[C@@H]3C)CC2)oc1C ZINC000515036401 300285869 /nfs/dbraw/zinc/28/58/69/300285869.db2.gz NNPXSFGABPBLAW-XGWLTEMNSA-N 2 1 321.465 2.659 20 0 DFADMP CCCCC[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516301521 300339180 /nfs/dbraw/zinc/33/91/80/300339180.db2.gz UCAWTRSCQDSNSC-QYZOEREBSA-N 2 1 304.478 2.962 20 0 DFADMP CCC[C@H](C)[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516932079 300370275 /nfs/dbraw/zinc/37/02/75/300370275.db2.gz AIYODCVBARFQPD-KANFNMMFSA-N 2 1 304.478 2.818 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)ccc2o1 ZINC000517038200 300380258 /nfs/dbraw/zinc/38/02/58/300380258.db2.gz NSJGOSDTNIAYRV-RISCZKNCSA-N 2 1 302.374 2.531 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)ccc2o1 ZINC000517038200 300380260 /nfs/dbraw/zinc/38/02/60/300380260.db2.gz NSJGOSDTNIAYRV-RISCZKNCSA-N 2 1 302.374 2.531 20 0 DFADMP COc1cncc(/C=C\CC[NH2+]C(C)(C)C[NH+]2CCCC2)c1 ZINC000517233540 300389124 /nfs/dbraw/zinc/38/91/24/300389124.db2.gz USJDLYGIDKGWIS-YWEYNIOJSA-N 2 1 303.450 2.958 20 0 DFADMP COc1ccc(OCCC[N@@H+]2CC3CCC2(C[NH3+])CC3)cc1 ZINC000517390967 300395330 /nfs/dbraw/zinc/39/53/30/300395330.db2.gz LJGORACEFNWBEQ-UHFFFAOYSA-N 2 1 304.434 2.667 20 0 DFADMP Cc1ncc(CN[C@@H](c2ccc(F)cc2)[C@@H]2CCCO2)n1C ZINC000517395878 300395835 /nfs/dbraw/zinc/39/58/35/300395835.db2.gz TXQNWNQBBYKJGY-IRXDYDNUSA-N 2 1 303.381 2.878 20 0 DFADMP COc1ccc([C@@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)cn1 ZINC000528849137 300853827 /nfs/dbraw/zinc/85/38/27/300853827.db2.gz DPGDMLWJXGONBV-KRWDZBQOSA-N 2 1 300.406 2.726 20 0 DFADMP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530215202 301029757 /nfs/dbraw/zinc/02/97/57/301029757.db2.gz FCMQZSZNMZSVSD-UHOSZYNNSA-N 2 1 313.489 2.771 20 0 DFADMP C[C@H](N[C@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530215203 301030014 /nfs/dbraw/zinc/03/00/14/301030014.db2.gz FCMQZSZNMZSVSD-WDSOQIARSA-N 2 1 313.489 2.771 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530216925 301030564 /nfs/dbraw/zinc/03/05/64/301030564.db2.gz DKEWDHMCMZVDPX-UJJTZGENSA-N 2 1 306.425 2.598 20 0 DFADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000530238335 301033163 /nfs/dbraw/zinc/03/31/63/301033163.db2.gz PFICOAJVJJNHAY-GOSISDBHSA-N 2 1 320.452 2.847 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)s1 ZINC000530249856 301034052 /nfs/dbraw/zinc/03/40/52/301034052.db2.gz ZFQJHOCRQLNFMD-OAHLLOKOSA-N 2 1 323.506 2.857 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCC3 ZINC000530513135 301052581 /nfs/dbraw/zinc/05/25/81/301052581.db2.gz IPKJKOABHRZKTR-SFHVURJKSA-N 2 1 311.429 2.955 20 0 DFADMP C[C@H]1C[N@H+](C)C[C@@H]1NCc1ccc(OC2CCCCC2)nc1 ZINC000531709509 301105215 /nfs/dbraw/zinc/10/52/15/301105215.db2.gz ZSOGHIQWPDFNMO-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1ccc(OC2CCCCC2)nc1 ZINC000531709509 301105216 /nfs/dbraw/zinc/10/52/16/301105216.db2.gz ZSOGHIQWPDFNMO-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000531785839 301110198 /nfs/dbraw/zinc/11/01/98/301110198.db2.gz RSIPZNYZTGNIJH-UHFFFAOYSA-N 2 1 323.506 2.756 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000531785839 301110201 /nfs/dbraw/zinc/11/02/01/301110201.db2.gz RSIPZNYZTGNIJH-UHFFFAOYSA-N 2 1 323.506 2.756 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954934 301120918 /nfs/dbraw/zinc/12/09/18/301120918.db2.gz IKVLAAYNQNNNFF-UONOGXRCSA-N 2 1 301.434 2.564 20 0 DFADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000531970034 301122226 /nfs/dbraw/zinc/12/22/26/301122226.db2.gz BAVNPBLWZPZBAM-IRXDYDNUSA-N 2 1 320.477 2.891 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531760 301158706 /nfs/dbraw/zinc/15/87/06/301158706.db2.gz CLZAYBRWLHNTJU-LMMKCTJWSA-N 2 1 307.526 2.961 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000533360040 301197976 /nfs/dbraw/zinc/19/79/76/301197976.db2.gz WEGXNRXLRAXBJT-HIFRSBDPSA-N 2 1 319.449 2.646 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000533360040 301197979 /nfs/dbraw/zinc/19/79/79/301197979.db2.gz WEGXNRXLRAXBJT-HIFRSBDPSA-N 2 1 319.449 2.646 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN([C@@H](C)C(=O)Nc2nccs2)CC1 ZINC000533408602 301200511 /nfs/dbraw/zinc/20/05/11/301200511.db2.gz ARLXWGGBCNCRBA-ZDUSSCGKSA-N 2 1 324.494 2.522 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(F)c1 ZINC000535065644 301246802 /nfs/dbraw/zinc/24/68/02/301246802.db2.gz MWHRPGILCCGKOP-LBPRGKRZSA-N 2 1 314.832 2.977 20 0 DFADMP CCC[C@@H]1CN(CC(C)C[N@H+]2CCO[C@H](CCC)C2)CCO1 ZINC000536181134 301269787 /nfs/dbraw/zinc/26/97/87/301269787.db2.gz RMQUHYDLTVCMSK-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1)C(C)C ZINC000537215035 301296311 /nfs/dbraw/zinc/29/63/11/301296311.db2.gz LHTRFNCTVYZMEN-UHFFFAOYSA-N 2 1 319.493 2.941 20 0 DFADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000538454533 301321723 /nfs/dbraw/zinc/32/17/23/301321723.db2.gz XIFAMFAMWROEIM-AWEZNQCLSA-N 2 1 311.420 2.643 20 0 DFADMP Cc1ccsc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539824398 301351435 /nfs/dbraw/zinc/35/14/35/301351435.db2.gz CDBUPASPLXPOFG-INIZCTEOSA-N 2 1 307.507 2.657 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NCC(C)C)CC1)CC1CC1 ZINC000540049424 301356749 /nfs/dbraw/zinc/35/67/49/301356749.db2.gz MZTFLXHEMZLRRH-UHFFFAOYSA-N 2 1 323.525 2.593 20 0 DFADMP C[N@@H+](C[C@H](O)CN[C@@H]1CCCOc2c(Cl)cccc21)C1CC1 ZINC000562992325 302022268 /nfs/dbraw/zinc/02/22/68/302022268.db2.gz ONYSWRSCHAQPNG-CZUORRHYSA-N 2 1 324.852 2.598 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000563215855 302050632 /nfs/dbraw/zinc/05/06/32/302050632.db2.gz HLHKJTRAQUUYBD-OAHLLOKOSA-N 2 1 316.436 2.638 20 0 DFADMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1(C)C ZINC000563269533 302056556 /nfs/dbraw/zinc/05/65/56/302056556.db2.gz VGJIAFZJBGDOJU-MSOLQXFVSA-N 2 1 302.462 2.968 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000563804202 302099163 /nfs/dbraw/zinc/09/91/63/302099163.db2.gz BAQAZGLXAHAKOB-DOPJRALCSA-N 2 1 313.445 2.849 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000563804202 302099166 /nfs/dbraw/zinc/09/91/66/302099166.db2.gz BAQAZGLXAHAKOB-DOPJRALCSA-N 2 1 313.445 2.849 20 0 DFADMP C[NH+](C)CCCCC(=O)NC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000564345426 302130947 /nfs/dbraw/zinc/13/09/47/302130947.db2.gz CAIXOAJGUGLXBF-UHFFFAOYSA-N 2 1 319.493 2.745 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn2ccnc2c1 ZINC000564423227 302133805 /nfs/dbraw/zinc/13/38/05/302133805.db2.gz NYTKNOXXCBKJDK-OAHLLOKOSA-N 2 1 315.421 2.720 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ncccc2O)C1 ZINC000564612425 302144478 /nfs/dbraw/zinc/14/44/78/302144478.db2.gz PXTJBOXVZRMXAQ-HOTGVXAUSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000564742271 302155911 /nfs/dbraw/zinc/15/59/11/302155911.db2.gz YBPTUXHOFGGWQH-NEPJUHHUSA-N 2 1 324.266 2.979 20 0 DFADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000564847027 302163805 /nfs/dbraw/zinc/16/38/05/302163805.db2.gz GZYAARXCTIBNKP-QAPCUYQASA-N 2 1 304.478 2.788 20 0 DFADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000564847027 302163806 /nfs/dbraw/zinc/16/38/06/302163806.db2.gz GZYAARXCTIBNKP-QAPCUYQASA-N 2 1 304.478 2.788 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564989678 302179603 /nfs/dbraw/zinc/17/96/03/302179603.db2.gz WXADCXZFBUJJFX-QZTJIDSGSA-N 2 1 311.429 2.622 20 0 DFADMP Cn1cncc1CCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000565160707 302199300 /nfs/dbraw/zinc/19/93/00/302199300.db2.gz CVTAUQLRDDVEKH-UHFFFAOYSA-N 2 1 320.824 2.577 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)CC(=O)Nc1cccc(Cl)c1 ZINC000565160707 302199303 /nfs/dbraw/zinc/19/93/03/302199303.db2.gz CVTAUQLRDDVEKH-UHFFFAOYSA-N 2 1 320.824 2.577 20 0 DFADMP CC[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000565637603 302234398 /nfs/dbraw/zinc/23/43/98/302234398.db2.gz LWTJVMWRRHMSMA-KRWDZBQOSA-N 2 1 316.424 2.960 20 0 DFADMP Clc1ccccc1CN1CCC([NH2+]CCC[NH+]2CCC2)CC1 ZINC000566473303 302290455 /nfs/dbraw/zinc/29/04/55/302290455.db2.gz AGLRSJRMQSIGCO-UHFFFAOYSA-N 2 1 321.896 2.990 20 0 DFADMP CSC[C@H](O)C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000566733111 302307753 /nfs/dbraw/zinc/30/77/53/302307753.db2.gz MMSCTPQHBJCQJQ-RYQLBKOJSA-N 2 1 322.518 2.601 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)Nc1ccn2ccnc2c1 ZINC000567203437 302342121 /nfs/dbraw/zinc/34/21/21/302342121.db2.gz PGTXEZMALNYARP-AWEZNQCLSA-N 2 1 315.421 2.576 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C1 ZINC000567249893 302345374 /nfs/dbraw/zinc/34/53/74/302345374.db2.gz XSLLWFRVTJUBNE-JKSUJKDBSA-N 2 1 311.539 2.598 20 0 DFADMP Cn1cncc1CCC[N@@H+](C)Cc1nc(-c2ccccc2)c[nH]1 ZINC000567286523 302347154 /nfs/dbraw/zinc/34/71/54/302347154.db2.gz NKAZAZUZQZKBNP-UHFFFAOYSA-N 2 1 309.417 2.875 20 0 DFADMP CCC[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567501960 302364744 /nfs/dbraw/zinc/36/47/44/302364744.db2.gz PTJVCKJFJJQAHK-FUHWJXTLSA-N 2 1 323.525 2.878 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])c2ccccc21 ZINC000567648426 302376288 /nfs/dbraw/zinc/37/62/88/302376288.db2.gz QGCHHVPNEQLIEL-IXDOHACOSA-N 2 1 301.434 2.734 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)cc1 ZINC000567674556 302378239 /nfs/dbraw/zinc/37/82/39/302378239.db2.gz PYWBKVZIJAGIND-CYBMUJFWSA-N 2 1 313.449 2.685 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000567879443 302395776 /nfs/dbraw/zinc/39/57/76/302395776.db2.gz SYHJGNAMLDOFMX-OAHLLOKOSA-N 2 1 311.429 2.735 20 0 DFADMP C[NH+](C)[C@H](C(=O)N1CCC(CC[NH3+])CC1)c1cccc(Cl)c1 ZINC000568525423 302457457 /nfs/dbraw/zinc/45/74/57/302457457.db2.gz PEUDZVRYFRPRLN-INIZCTEOSA-N 2 1 323.868 2.530 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000568619773 302463947 /nfs/dbraw/zinc/46/39/47/302463947.db2.gz IGPHMVMHLQRCHZ-MAUKXSAKSA-N 2 1 301.434 2.726 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000571079931 302604413 /nfs/dbraw/zinc/60/44/13/302604413.db2.gz JHDJAWMVIPPDOB-ZDUSSCGKSA-N 2 1 324.494 2.846 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(-n2cccn2)c1 ZINC000572300442 302654004 /nfs/dbraw/zinc/65/40/04/302654004.db2.gz BLZQNDUYYRAXJK-HNNXBMFYSA-N 2 1 309.417 2.889 20 0 DFADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000572392065 302659920 /nfs/dbraw/zinc/65/99/20/302659920.db2.gz GXDVBQRTRJLVGV-NSHGMRRFSA-N 2 1 322.456 2.725 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1 ZINC000181563977 316064015 /nfs/dbraw/zinc/06/40/15/316064015.db2.gz NELFAODSZDEXNN-AWEZNQCLSA-N 2 1 324.469 2.721 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nc(COC)no2)CC1 ZINC000181563977 316064017 /nfs/dbraw/zinc/06/40/17/316064017.db2.gz NELFAODSZDEXNN-AWEZNQCLSA-N 2 1 324.469 2.721 20 0 DFADMP C[C@@H](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000182245321 316091670 /nfs/dbraw/zinc/09/16/70/316091670.db2.gz IHLMEHLPINYEDN-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C[S@@](C)=O)c1ccccc1 ZINC000183185986 316132671 /nfs/dbraw/zinc/13/26/71/316132671.db2.gz BRXKOQDYBHJPRS-HTAPYJJXSA-N 2 1 319.474 2.681 20 0 DFADMP CC(C)N(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185746242 316191126 /nfs/dbraw/zinc/19/11/26/316191126.db2.gz BPOAHEUQNMYAKV-IAGOWNOFSA-N 2 1 323.525 2.874 20 0 DFADMP CC(C)N(C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185746242 316191131 /nfs/dbraw/zinc/19/11/31/316191131.db2.gz BPOAHEUQNMYAKV-IAGOWNOFSA-N 2 1 323.525 2.874 20 0 DFADMP COC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000187710975 316212817 /nfs/dbraw/zinc/21/28/17/316212817.db2.gz NWEPCUGZNCEUGR-LJQANCHMSA-N 2 1 320.477 2.540 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000318833437 316249921 /nfs/dbraw/zinc/24/99/21/316249921.db2.gz XYWWUFMNUPYQFF-QGZVFWFLSA-N 2 1 301.478 2.975 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N(C)C)[C@H](C)C1 ZINC000345248264 316316634 /nfs/dbraw/zinc/31/66/34/316316634.db2.gz KDYHZYBPYHDWBQ-BPQIPLTHSA-N 2 1 319.493 2.618 20 0 DFADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000346095749 316318184 /nfs/dbraw/zinc/31/81/84/316318184.db2.gz JSNPLJOLLQEARK-DZGCQCFKSA-N 2 1 323.506 2.603 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000346111986 316318207 /nfs/dbraw/zinc/31/82/07/316318207.db2.gz VIYSMWFFIOBIBP-MSOLQXFVSA-N 2 1 317.477 2.623 20 0 DFADMP CCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCC(C)C ZINC000414782432 316654031 /nfs/dbraw/zinc/65/40/31/316654031.db2.gz DRZZRIKZXNJZBL-UHFFFAOYSA-N 2 1 306.450 2.962 20 0 DFADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCCOC3)CC2)n2c1CCCC2 ZINC000434683775 316909944 /nfs/dbraw/zinc/90/99/44/316909944.db2.gz IEOMQYIDPOIVKJ-OAHLLOKOSA-N 2 1 303.450 2.825 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H](C)O ZINC000449546531 317040365 /nfs/dbraw/zinc/04/03/65/317040365.db2.gz WAILYJHITWEOCJ-RXABAKJHSA-N 2 1 302.462 2.646 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000449649080 317047802 /nfs/dbraw/zinc/04/78/02/317047802.db2.gz ROOPCMGBYFYZNE-WQVCFCJDSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450263337 317077771 /nfs/dbraw/zinc/07/77/71/317077771.db2.gz BKXYIIGERNSTGB-VQIMIIECSA-N 2 1 302.462 2.711 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000450392946 317088430 /nfs/dbraw/zinc/08/84/30/317088430.db2.gz PGWFRSBWCMJTGI-HOTGVXAUSA-N 2 1 315.452 2.524 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000453140543 317164824 /nfs/dbraw/zinc/16/48/24/317164824.db2.gz QJFRVCIJTWABMX-HSALFYBXSA-N 2 1 324.472 2.916 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179647 317773737 /nfs/dbraw/zinc/77/37/37/317773737.db2.gz ZONMHMCCXYOVDH-WMLDXEAASA-N 2 1 315.461 2.840 20 0 DFADMP Cc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)c(=O)[nH]1 ZINC000543414626 317826808 /nfs/dbraw/zinc/82/68/08/317826808.db2.gz IRGOSHKMQGOKQI-GUYCJALGSA-N 2 1 318.465 2.623 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000562019438 317900966 /nfs/dbraw/zinc/90/09/66/317900966.db2.gz LYJLAPCPVGDFOT-OWCLPIDISA-N 2 1 307.507 2.815 20 0 DFADMP C[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000574531107 318023237 /nfs/dbraw/zinc/02/32/37/318023237.db2.gz LKEYRVXVYFNBKZ-OAHLLOKOSA-N 2 1 317.477 2.675 20 0 DFADMP Cc1cnc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000574563251 318024428 /nfs/dbraw/zinc/02/44/28/318024428.db2.gz WMFMQJYCHHHKCC-PBHICJAKSA-N 2 1 315.442 2.797 20 0 DFADMP CC[NH2+]CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000574629754 318029038 /nfs/dbraw/zinc/02/90/38/318029038.db2.gz QZNMPCJDMIAVMY-SLFFLAALSA-N 3 1 315.505 2.876 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000574629754 318029039 /nfs/dbraw/zinc/02/90/39/318029039.db2.gz QZNMPCJDMIAVMY-SLFFLAALSA-N 3 1 315.505 2.876 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000574629754 318029041 /nfs/dbraw/zinc/02/90/41/318029041.db2.gz QZNMPCJDMIAVMY-SLFFLAALSA-N 3 1 315.505 2.876 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000574636410 318029966 /nfs/dbraw/zinc/02/99/66/318029966.db2.gz MOVOOGOKEFQCBX-XOIINTDNSA-N 2 1 318.465 2.608 20 0 DFADMP Cc1nn2c(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000574782092 318040436 /nfs/dbraw/zinc/04/04/36/318040436.db2.gz HCMNQJJYKDFWME-YPMHNXCESA-N 2 1 321.494 2.700 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000574778116 318040440 /nfs/dbraw/zinc/04/04/40/318040440.db2.gz NGTKEAPZFKASNN-FHWLQOOXSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000574778116 318040441 /nfs/dbraw/zinc/04/04/41/318040441.db2.gz NGTKEAPZFKASNN-FHWLQOOXSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@@H+](C[C@H](O)CN1CCC(c2cccc(F)c2F)CC1)C1CC1 ZINC000574962136 318053333 /nfs/dbraw/zinc/05/33/33/318053333.db2.gz LJHIWEDOZNXJJS-HNNXBMFYSA-N 2 1 324.415 2.599 20 0 DFADMP Clc1ccc(C[NH+]2CCC(NCc3cnccn3)CC2)cc1 ZINC000575889074 318090421 /nfs/dbraw/zinc/09/04/21/318090421.db2.gz GJTLIBIPYGRORC-UHFFFAOYSA-N 2 1 316.836 2.884 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000575917087 318091342 /nfs/dbraw/zinc/09/13/42/318091342.db2.gz IDTKREPGFPTMDK-OAHLLOKOSA-N 2 1 316.367 2.559 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000576030478 318099143 /nfs/dbraw/zinc/09/91/43/318099143.db2.gz YIQZPNYMZZNBML-FUHWJXTLSA-N 2 1 324.896 2.811 20 0 DFADMP CC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000576049638 318100218 /nfs/dbraw/zinc/10/02/18/318100218.db2.gz GOIKVUCWJBHLKM-INIZCTEOSA-N 2 1 315.417 2.865 20 0 DFADMP C[NH2+][C@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000576052879 318100899 /nfs/dbraw/zinc/10/08/99/318100899.db2.gz XYUUODKTZHBATK-CYBMUJFWSA-N 2 1 300.406 2.601 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000576389810 318122669 /nfs/dbraw/zinc/12/26/69/318122669.db2.gz DNEIVNGNWMESLN-OAHLLOKOSA-N 2 1 317.260 2.581 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000576574540 318135305 /nfs/dbraw/zinc/13/53/05/318135305.db2.gz UQAIUFFPBCVPTB-UHFFFAOYSA-N 2 1 313.445 2.501 20 0 DFADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000576726018 318146327 /nfs/dbraw/zinc/14/63/27/318146327.db2.gz ZQAOBCHFFPNTOU-GDBMZVCRSA-N 2 1 303.450 2.698 20 0 DFADMP Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000577037449 318166702 /nfs/dbraw/zinc/16/67/02/318166702.db2.gz NQABOZYHZNRHDR-CQSZACIVSA-N 2 1 315.421 2.639 20 0 DFADMP Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000577037449 318166703 /nfs/dbraw/zinc/16/67/03/318166703.db2.gz NQABOZYHZNRHDR-CQSZACIVSA-N 2 1 315.421 2.639 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@H]1c1nc2ccccc2s1 ZINC000577343315 318185775 /nfs/dbraw/zinc/18/57/75/318185775.db2.gz LVXVYEAQEMDQTK-HIFRSBDPSA-N 2 1 319.474 2.746 20 0 DFADMP C[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000577509346 318198101 /nfs/dbraw/zinc/19/81/01/318198101.db2.gz WDQVHNGUXUUOFG-VKJFTORMSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577710647 318211551 /nfs/dbraw/zinc/21/15/51/318211551.db2.gz CASVZCXQBUNBBY-UONOGXRCSA-N 2 1 316.449 2.532 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1nc(-c2ccncc2)cs1 ZINC000577840106 318220240 /nfs/dbraw/zinc/22/02/40/318220240.db2.gz KZHNEJGLNQCBII-YUTCNCBUSA-N 2 1 302.447 2.983 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000577957141 318228822 /nfs/dbraw/zinc/22/88/22/318228822.db2.gz FMVPYVNDPRSDJP-CYBMUJFWSA-N 2 1 310.413 2.617 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000578127546 318239398 /nfs/dbraw/zinc/23/93/98/318239398.db2.gz CVJYNZLMWIKZCM-GXTWGEPZSA-N 2 1 307.413 2.535 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000578127547 318239488 /nfs/dbraw/zinc/23/94/88/318239488.db2.gz CVJYNZLMWIKZCM-JSGCOSHPSA-N 2 1 307.413 2.535 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CCCc3cncn3C)C2)no1 ZINC000578244964 318248256 /nfs/dbraw/zinc/24/82/56/318248256.db2.gz XAOKWBQFSBSZED-CQSZACIVSA-N 2 1 317.437 2.739 20 0 DFADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(Cl)c1 ZINC000578245306 318248394 /nfs/dbraw/zinc/24/83/94/318248394.db2.gz KGZSKWMFADBHDU-MRXNPFEDSA-N 2 1 307.825 2.983 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000578451131 318262116 /nfs/dbraw/zinc/26/21/16/318262116.db2.gz WLDDIQDRXCWNNW-VNTMZGSJSA-N 2 1 316.489 2.957 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000578451131 318262118 /nfs/dbraw/zinc/26/21/18/318262118.db2.gz WLDDIQDRXCWNNW-VNTMZGSJSA-N 2 1 316.489 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000578451131 318262120 /nfs/dbraw/zinc/26/21/20/318262120.db2.gz WLDDIQDRXCWNNW-VNTMZGSJSA-N 2 1 316.489 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000578451131 318262122 /nfs/dbraw/zinc/26/21/22/318262122.db2.gz WLDDIQDRXCWNNW-VNTMZGSJSA-N 2 1 316.489 2.957 20 0 DFADMP CCOC(=O)CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578511846 318266060 /nfs/dbraw/zinc/26/60/60/318266060.db2.gz IBYQRBKQGDCALV-HNNXBMFYSA-N 2 1 324.490 2.763 20 0 DFADMP CCOC(=O)CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578511846 318266063 /nfs/dbraw/zinc/26/60/63/318266063.db2.gz IBYQRBKQGDCALV-HNNXBMFYSA-N 2 1 324.490 2.763 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000578875265 318291810 /nfs/dbraw/zinc/29/18/10/318291810.db2.gz MLACPNUQONXWTN-UHFFFAOYSA-N 2 1 320.387 2.711 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578981624 318299345 /nfs/dbraw/zinc/29/93/45/318299345.db2.gz PSCGQSYIIJUYGS-RMPXNZIMSA-N 2 1 302.462 2.756 20 0 DFADMP C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000579109927 318308012 /nfs/dbraw/zinc/30/80/12/318308012.db2.gz VBIWSNOAVBLHAX-CABCVRRESA-N 2 1 303.450 2.881 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000579142924 318310901 /nfs/dbraw/zinc/31/09/01/318310901.db2.gz LUIOCILEXSEKJA-YJBOKZPZSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000579142924 318310902 /nfs/dbraw/zinc/31/09/02/318310902.db2.gz LUIOCILEXSEKJA-YJBOKZPZSA-N 2 1 312.461 2.729 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000579392127 318327675 /nfs/dbraw/zinc/32/76/75/318327675.db2.gz XLAWLYKQEXSGJT-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579709698 318349230 /nfs/dbraw/zinc/34/92/30/318349230.db2.gz BEOKFHYGPSQFKW-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579709698 318349232 /nfs/dbraw/zinc/34/92/32/318349232.db2.gz BEOKFHYGPSQFKW-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000580089535 318375357 /nfs/dbraw/zinc/37/53/57/318375357.db2.gz KPXLVVUCOSDSTF-IEBWSBKVSA-N 2 1 302.462 2.841 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000580089535 318375358 /nfs/dbraw/zinc/37/53/58/318375358.db2.gz KPXLVVUCOSDSTF-IEBWSBKVSA-N 2 1 302.462 2.841 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000580089535 318375359 /nfs/dbraw/zinc/37/53/59/318375359.db2.gz KPXLVVUCOSDSTF-IEBWSBKVSA-N 2 1 302.462 2.841 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000580089535 318375360 /nfs/dbraw/zinc/37/53/60/318375360.db2.gz KPXLVVUCOSDSTF-IEBWSBKVSA-N 2 1 302.462 2.841 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000378889315 323287936 /nfs/dbraw/zinc/28/79/36/323287936.db2.gz OPLKPDZOZLHJMO-KKUMJFAQSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000378889315 323287938 /nfs/dbraw/zinc/28/79/38/323287938.db2.gz OPLKPDZOZLHJMO-KKUMJFAQSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379634088 323291018 /nfs/dbraw/zinc/29/10/18/323291018.db2.gz PILJVLLAVHGBLR-RXQRSOPUSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000379634088 323291022 /nfs/dbraw/zinc/29/10/22/323291022.db2.gz PILJVLLAVHGBLR-RXQRSOPUSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379659143 323291186 /nfs/dbraw/zinc/29/11/86/323291186.db2.gz YTLXWASCLIADFM-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379659143 323291191 /nfs/dbraw/zinc/29/11/91/323291191.db2.gz YTLXWASCLIADFM-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382719583 323301214 /nfs/dbraw/zinc/30/12/14/323301214.db2.gz KFBPHPZJVAUGHM-QUCCMNQESA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382719583 323301216 /nfs/dbraw/zinc/30/12/16/323301216.db2.gz KFBPHPZJVAUGHM-QUCCMNQESA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382719583 323301218 /nfs/dbraw/zinc/30/12/18/323301218.db2.gz KFBPHPZJVAUGHM-QUCCMNQESA-N 3 1 315.505 2.830 20 0 DFADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382719583 323301220 /nfs/dbraw/zinc/30/12/20/323301220.db2.gz KFBPHPZJVAUGHM-QUCCMNQESA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382719583 323301221 /nfs/dbraw/zinc/30/12/21/323301221.db2.gz KFBPHPZJVAUGHM-QUCCMNQESA-N 2 1 315.505 2.830 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000382579260 323301358 /nfs/dbraw/zinc/30/13/58/323301358.db2.gz DVJJLQKJZVIVCP-YSIASYRMSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000382579260 323301360 /nfs/dbraw/zinc/30/13/60/323301360.db2.gz DVJJLQKJZVIVCP-YSIASYRMSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000382579260 323301362 /nfs/dbraw/zinc/30/13/62/323301362.db2.gz DVJJLQKJZVIVCP-YSIASYRMSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000382728065 323301618 /nfs/dbraw/zinc/30/16/18/323301618.db2.gz WQYOTDMUHUXGLI-WSTZPKSXSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382736922 323302411 /nfs/dbraw/zinc/30/24/11/323302411.db2.gz JGGCDXSMXHREOP-ZWKOTPCHSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000384057692 323305669 /nfs/dbraw/zinc/30/56/69/323305669.db2.gz ZFICPRCJNGMAKC-BHIYHBOVSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000386835874 323321233 /nfs/dbraw/zinc/32/12/33/323321233.db2.gz IPOHAMXOZJTQAU-QZTJIDSGSA-N 2 1 301.478 2.901 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCC1 ZINC000386835874 323321236 /nfs/dbraw/zinc/32/12/36/323321236.db2.gz IPOHAMXOZJTQAU-QZTJIDSGSA-N 2 1 301.478 2.901 20 0 DFADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000387462873 323324738 /nfs/dbraw/zinc/32/47/38/323324738.db2.gz QIOYOEDOAPAPSC-RRFJBIMHSA-N 2 1 313.486 2.562 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000387494150 323325167 /nfs/dbraw/zinc/32/51/67/323325167.db2.gz AZVXJSLAKOGOIW-DOTOQJQBSA-N 2 1 319.493 2.647 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]Cc2ccsc2Br)CC1 ZINC000392751843 323348401 /nfs/dbraw/zinc/34/84/01/323348401.db2.gz DQYICTFVTNDVJP-UHFFFAOYSA-N 2 1 301.253 2.862 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CCCCC1 ZINC000581931137 323590736 /nfs/dbraw/zinc/59/07/36/323590736.db2.gz CJCVSTUOQDMNIQ-UHFFFAOYSA-N 2 1 319.840 2.672 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000584285531 332212837 /nfs/dbraw/zinc/21/28/37/332212837.db2.gz BBUMQSQBPDOFFB-QGZVFWFLSA-N 2 1 315.505 2.671 20 0 DFADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000298151409 533780933 /nfs/dbraw/zinc/78/09/33/533780933.db2.gz AHXDPTXIEKSOIE-UHFFFAOYSA-N 2 1 322.449 2.714 20 0 DFADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc(OC)c1O ZINC000298151409 533780944 /nfs/dbraw/zinc/78/09/44/533780944.db2.gz AHXDPTXIEKSOIE-UHFFFAOYSA-N 2 1 322.449 2.714 20 0 DFADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000302151286 533971345 /nfs/dbraw/zinc/97/13/45/533971345.db2.gz LSJNXWSIPDTJKK-GDBMZVCRSA-N 2 1 324.428 2.646 20 0 DFADMP C[C@@H]1C[C@H](Nc2cc[nH+]cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000302151286 533971352 /nfs/dbraw/zinc/97/13/52/533971352.db2.gz LSJNXWSIPDTJKK-GDBMZVCRSA-N 2 1 324.428 2.646 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000305125448 534083704 /nfs/dbraw/zinc/08/37/04/534083704.db2.gz KZZOEMBZSFYWSI-HHXXYDBFSA-N 2 1 302.462 2.746 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](C)C[C@H]1C ZINC000154860278 519630385 /nfs/dbraw/zinc/63/03/85/519630385.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000154860278 519630389 /nfs/dbraw/zinc/63/03/89/519630389.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000154860278 519630390 /nfs/dbraw/zinc/63/03/90/519630390.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000154860278 519630394 /nfs/dbraw/zinc/63/03/94/519630394.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000154860278 519630399 /nfs/dbraw/zinc/63/03/99/519630399.db2.gz GDIWWINELGFRIG-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)OCC[N@@H+](C)[C@H]1CCC[NH+](CCOC(C)C)CC1 ZINC000156945030 519765319 /nfs/dbraw/zinc/76/53/19/519765319.db2.gz UUHYLGNYUVUMNS-KRWDZBQOSA-N 2 1 300.487 2.623 20 0 DFADMP CC(C)OCC[NH+](C)[C@H]1CCC[N@H+](CCOC(C)C)CC1 ZINC000156945030 519765321 /nfs/dbraw/zinc/76/53/21/519765321.db2.gz UUHYLGNYUVUMNS-KRWDZBQOSA-N 2 1 300.487 2.623 20 0 DFADMP CC(C)OCC[NH+](C)[C@H]1CCC[N@@H+](CCOC(C)C)CC1 ZINC000156945030 519765322 /nfs/dbraw/zinc/76/53/22/519765322.db2.gz UUHYLGNYUVUMNS-KRWDZBQOSA-N 2 1 300.487 2.623 20 0 DFADMP CCCCCC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000158070396 520077936 /nfs/dbraw/zinc/07/79/36/520077936.db2.gz ZCPLDBMIJGCGJI-UHFFFAOYSA-N 2 1 323.525 2.833 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000367617428 520370879 /nfs/dbraw/zinc/37/08/79/520370879.db2.gz NECVRNCQLGEGHM-BRWVUGGUSA-N 2 1 303.450 2.833 20 0 DFADMP CCOC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000367658259 520689109 /nfs/dbraw/zinc/68/91/09/520689109.db2.gz JPSCLFFWYXGTBE-LBPRGKRZSA-N 2 1 319.380 2.924 20 0 DFADMP CCOc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000154903198 520954987 /nfs/dbraw/zinc/95/49/87/520954987.db2.gz UIAJLFZXFUUNNU-RDJZCZTQSA-N 2 1 320.477 2.956 20 0 DFADMP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000156546401 521638858 /nfs/dbraw/zinc/63/88/58/521638858.db2.gz ILXNCDZFMTWSDQ-LJQANCHMSA-N 2 1 319.468 2.864 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000156546401 521638861 /nfs/dbraw/zinc/63/88/61/521638861.db2.gz ILXNCDZFMTWSDQ-LJQANCHMSA-N 2 1 319.468 2.864 20 0 DFADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000364851138 522328392 /nfs/dbraw/zinc/32/83/92/522328392.db2.gz OIHUUQFVYHIKCM-BPUTZDHNSA-N 2 1 323.868 2.576 20 0 DFADMP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365988102 523184480 /nfs/dbraw/zinc/18/44/80/523184480.db2.gz KMJRENCTTRACSC-AWEZNQCLSA-N 2 1 322.412 2.831 20 0 DFADMP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365988102 523184485 /nfs/dbraw/zinc/18/44/85/523184485.db2.gz KMJRENCTTRACSC-AWEZNQCLSA-N 2 1 322.412 2.831 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@H]2CCC[C@H]21 ZINC000367614791 523986714 /nfs/dbraw/zinc/98/67/14/523986714.db2.gz IULYMKJUEXNOCS-SOLBZPMBSA-N 2 1 312.461 2.889 20 0 DFADMP Cc1cc(N[C@H](C)[C@H]2C[N@H+](C)CCO2)c2cc(F)ccc2[nH+]1 ZINC000154849115 525300823 /nfs/dbraw/zinc/30/08/23/525300823.db2.gz QNNJVPGHGIVMAQ-SJKOYZFVSA-N 2 1 303.381 2.813 20 0 DFADMP Cc1cc(N[C@H](C)[C@H]2C[N@@H+](C)CCO2)c2cc(F)ccc2[nH+]1 ZINC000154849115 525300831 /nfs/dbraw/zinc/30/08/31/525300831.db2.gz QNNJVPGHGIVMAQ-SJKOYZFVSA-N 2 1 303.381 2.813 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000366293726 525389239 /nfs/dbraw/zinc/38/92/39/525389239.db2.gz JCBOBIUYEAFWPC-XEZPLFJOSA-N 2 1 304.463 2.825 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000366293726 525389249 /nfs/dbraw/zinc/38/92/49/525389249.db2.gz JCBOBIUYEAFWPC-XEZPLFJOSA-N 2 1 304.463 2.825 20 0 DFADMP Cc1ccc(C(=O)CC[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000366010116 526042584 /nfs/dbraw/zinc/04/25/84/526042584.db2.gz SBKBSXOEHGNWFR-INIZCTEOSA-N 2 1 311.429 2.959 20 0 DFADMP Cc1ccc(C(=O)CC[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000366010116 526042589 /nfs/dbraw/zinc/04/25/89/526042589.db2.gz SBKBSXOEHGNWFR-INIZCTEOSA-N 2 1 311.429 2.959 20 0 DFADMP O=C(NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000338149479 526513316 /nfs/dbraw/zinc/51/33/16/526513316.db2.gz FVNNIWMGOIDHHS-ZWKOTPCHSA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)(CO)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000294802329 527203891 /nfs/dbraw/zinc/20/38/91/527203891.db2.gz MZMUMQVYZBCQBQ-CEXWTWQISA-N 2 1 316.489 2.895 20 0 DFADMP FC(F)Cn1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000366360257 527693738 /nfs/dbraw/zinc/69/37/38/527693738.db2.gz BXOKSSCZNLYPRQ-UHFFFAOYSA-N 2 1 312.408 2.645 20 0 DFADMP CCCN1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000314142230 528202536 /nfs/dbraw/zinc/20/25/36/528202536.db2.gz PQCKCSOIPLNTJU-UHFFFAOYSA-N 2 1 302.466 2.514 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000309817095 528829717 /nfs/dbraw/zinc/82/97/17/528829717.db2.gz OJUAHVRSYWMKCF-ZIFCJYIRSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309817095 528829720 /nfs/dbraw/zinc/82/97/20/528829720.db2.gz OJUAHVRSYWMKCF-ZIFCJYIRSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309817095 528829723 /nfs/dbraw/zinc/82/97/23/528829723.db2.gz OJUAHVRSYWMKCF-ZIFCJYIRSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000294910208 528840721 /nfs/dbraw/zinc/84/07/21/528840721.db2.gz DXLXVJADAVJZII-ALOPSCKCSA-N 2 1 302.466 2.641 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000294910208 528840726 /nfs/dbraw/zinc/84/07/26/528840726.db2.gz DXLXVJADAVJZII-ALOPSCKCSA-N 2 1 302.466 2.641 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000315652932 529015551 /nfs/dbraw/zinc/01/55/51/529015551.db2.gz XQTWETROEOQNOK-RDBSUJKOSA-N 2 1 308.388 2.806 20 0 DFADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000332650238 529305919 /nfs/dbraw/zinc/30/59/19/529305919.db2.gz NGOFPXYCHLEKDH-IRXDYDNUSA-N 2 1 316.449 2.544 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000262042328 535154332 /nfs/dbraw/zinc/15/43/32/535154332.db2.gz YRHVFBWGCOVSJX-KZNAEPCWSA-N 2 1 302.462 2.711 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261895602 535154636 /nfs/dbraw/zinc/15/46/36/535154636.db2.gz HAYASGWQWCNVLH-KZNAEPCWSA-N 2 1 320.452 2.850 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000173618519 535162654 /nfs/dbraw/zinc/16/26/54/535162654.db2.gz PBCOKAKZRCNVLM-INIZCTEOSA-N 2 1 321.509 2.844 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000361030019 535594329 /nfs/dbraw/zinc/59/43/29/535594329.db2.gz SOQKKFWQTXURNM-NVXWUHKLSA-N 2 1 319.497 2.533 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261925097 535710188 /nfs/dbraw/zinc/71/01/88/535710188.db2.gz IMCWYQONTLQLIV-HNNXBMFYSA-N 2 1 304.434 2.849 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC000354491948 536317601 /nfs/dbraw/zinc/31/76/01/536317601.db2.gz DJYFQYVWEVMGHC-JVVAOCTPSA-N 2 1 308.466 2.569 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000354491948 536317605 /nfs/dbraw/zinc/31/76/05/536317605.db2.gz DJYFQYVWEVMGHC-JVVAOCTPSA-N 2 1 308.466 2.569 20 0 DFADMP C[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245714876 536345602 /nfs/dbraw/zinc/34/56/02/536345602.db2.gz NVBLADOBARAGBM-ACDBMABISA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245714876 536345603 /nfs/dbraw/zinc/34/56/03/536345603.db2.gz NVBLADOBARAGBM-ACDBMABISA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245714876 536345605 /nfs/dbraw/zinc/34/56/05/536345605.db2.gz NVBLADOBARAGBM-ACDBMABISA-N 2 1 313.489 2.866 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000245967864 536390199 /nfs/dbraw/zinc/39/01/99/536390199.db2.gz ZGHJGTSVOKWNAU-LPHOPBHVSA-N 2 1 316.445 2.983 20 0 DFADMP COc1ccc(C(=O)C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262017426 536662939 /nfs/dbraw/zinc/66/29/39/536662939.db2.gz VVOHVODZUMLDSI-HNNXBMFYSA-N 2 1 316.445 2.590 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000361762406 536675732 /nfs/dbraw/zinc/67/57/32/536675732.db2.gz CZPOYZLCVJGDPY-YQQAZPJKSA-N 2 1 306.450 2.845 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000361762406 536675736 /nfs/dbraw/zinc/67/57/36/536675736.db2.gz CZPOYZLCVJGDPY-YQQAZPJKSA-N 2 1 306.450 2.845 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)c(SC)cc1OC ZINC000261628984 536773387 /nfs/dbraw/zinc/77/33/87/536773387.db2.gz FFOVEQKQFCHQIW-MRXNPFEDSA-N 2 1 310.463 2.596 20 0 DFADMP COc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)c(SC)cc1OC ZINC000261628984 536773391 /nfs/dbraw/zinc/77/33/91/536773391.db2.gz FFOVEQKQFCHQIW-MRXNPFEDSA-N 2 1 310.463 2.596 20 0 DFADMP COc1ccccc1OCC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173953842 537094096 /nfs/dbraw/zinc/09/40/96/537094096.db2.gz OGTYZYAKIILSDG-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccccc1OCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000173953842 537094100 /nfs/dbraw/zinc/09/41/00/537094100.db2.gz OGTYZYAKIILSDG-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccccc1OCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000173953842 537094104 /nfs/dbraw/zinc/09/41/04/537094104.db2.gz OGTYZYAKIILSDG-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccccc1OCC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000173953842 537094109 /nfs/dbraw/zinc/09/41/09/537094109.db2.gz OGTYZYAKIILSDG-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358262966 537098081 /nfs/dbraw/zinc/09/80/81/537098081.db2.gz FYQASLQRXSLKNB-ZACQAIPSSA-N 2 1 318.461 2.927 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000680933437 545566014 /nfs/dbraw/zinc/56/60/14/545566014.db2.gz XGKWASDHFWSJLQ-WBMJQRKESA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000680933437 545566021 /nfs/dbraw/zinc/56/60/21/545566021.db2.gz XGKWASDHFWSJLQ-WBMJQRKESA-N 2 1 302.397 2.646 20 0 DFADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000680938998 545567806 /nfs/dbraw/zinc/56/78/06/545567806.db2.gz JYRJDWLFVLRBRT-FGTMMUONSA-N 2 1 324.509 2.812 20 0 DFADMP C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681915011 545750997 /nfs/dbraw/zinc/75/09/97/545750997.db2.gz UYJTVOPUVFSLEF-ZDUSSCGKSA-N 2 1 316.474 2.913 20 0 DFADMP C[N@H+](Cc1nc2c(s1)CCCC2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681915011 545751006 /nfs/dbraw/zinc/75/10/06/545751006.db2.gz UYJTVOPUVFSLEF-ZDUSSCGKSA-N 2 1 316.474 2.913 20 0 DFADMP CC(C)[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682039600 545782221 /nfs/dbraw/zinc/78/22/21/545782221.db2.gz HZTHHMRMRAGYBK-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682039600 545782227 /nfs/dbraw/zinc/78/22/27/545782227.db2.gz HZTHHMRMRAGYBK-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP COc1cc(C)c([C@H](C)[NH+]2CCC([N@H+](C)CCO)CC2)cc1C ZINC000682069004 545786349 /nfs/dbraw/zinc/78/63/49/545786349.db2.gz BSFCRZYAGWFRPH-INIZCTEOSA-N 2 1 320.477 2.762 20 0 DFADMP COc1cc(C)c([C@H](C)[NH+]2CCC([N@@H+](C)CCO)CC2)cc1C ZINC000682069004 545786355 /nfs/dbraw/zinc/78/63/55/545786355.db2.gz BSFCRZYAGWFRPH-INIZCTEOSA-N 2 1 320.477 2.762 20 0 DFADMP Fc1ccc([C@@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ncc[nH]2)cc1 ZINC000682132324 545802103 /nfs/dbraw/zinc/80/21/03/545802103.db2.gz BAMBEMGMVQENTO-IAGOWNOFSA-N 2 1 314.408 2.712 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)[C@@H](C)O1 ZINC000682168459 545812374 /nfs/dbraw/zinc/81/23/74/545812374.db2.gz ARFUTLMXXDLGIM-OWCLPIDISA-N 2 1 306.450 2.625 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCc3ncsc3C2)cc1 ZINC000682169389 545813810 /nfs/dbraw/zinc/81/38/10/545813810.db2.gz VRHGQCFHDHEHJZ-UHFFFAOYSA-N 2 1 317.458 2.642 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCc3ncsc3C2)cc1 ZINC000682169389 545813812 /nfs/dbraw/zinc/81/38/12/545813812.db2.gz VRHGQCFHDHEHJZ-UHFFFAOYSA-N 2 1 317.458 2.642 20 0 DFADMP OCC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CCC1 ZINC000682245979 545823824 /nfs/dbraw/zinc/82/38/24/545823824.db2.gz KXWUFBBJQJRLIM-UHFFFAOYSA-N 2 1 318.461 2.508 20 0 DFADMP Fc1cccc(-c2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)o2)c1F ZINC000682997616 545956929 /nfs/dbraw/zinc/95/69/29/545956929.db2.gz AIURQGXCEHYYHK-RYUDHWBXSA-N 2 1 304.340 2.876 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000683473358 546039702 /nfs/dbraw/zinc/03/97/02/546039702.db2.gz LMPHQRZTAOLOCQ-LBPRGKRZSA-N 2 1 313.430 2.687 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000683719763 546081817 /nfs/dbraw/zinc/08/18/17/546081817.db2.gz ACEAWSFCAWGHNU-RTBURBONSA-N 2 1 324.472 2.700 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000683720440 546081853 /nfs/dbraw/zinc/08/18/53/546081853.db2.gz LTSOXUYSWLESFQ-YOEHRIQHSA-N 2 1 311.429 2.601 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3[nH]2)CC1 ZINC000684022077 546137136 /nfs/dbraw/zinc/13/71/36/546137136.db2.gz FDWRZENCSPJANR-HNNXBMFYSA-N 2 1 315.461 2.693 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000684163270 546162058 /nfs/dbraw/zinc/16/20/58/546162058.db2.gz JJSLYTQGRIZUMM-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000684163270 546162060 /nfs/dbraw/zinc/16/20/60/546162060.db2.gz JJSLYTQGRIZUMM-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000684163270 546162067 /nfs/dbraw/zinc/16/20/67/546162067.db2.gz JJSLYTQGRIZUMM-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000684366736 546201809 /nfs/dbraw/zinc/20/18/09/546201809.db2.gz ZPPFRXQQKFYUHN-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000684534709 546238164 /nfs/dbraw/zinc/23/81/64/546238164.db2.gz GNELYEAOEXUQNA-HNNXBMFYSA-N 2 1 316.424 2.831 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000684534709 546238169 /nfs/dbraw/zinc/23/81/69/546238169.db2.gz GNELYEAOEXUQNA-HNNXBMFYSA-N 2 1 316.424 2.831 20 0 DFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000685438618 546349825 /nfs/dbraw/zinc/34/98/25/546349825.db2.gz JXPRWUJVYOTMHS-GOSISDBHSA-N 2 1 318.461 2.772 20 0 DFADMP C[N@H+](Cc1ccc(Cl)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457350 546353779 /nfs/dbraw/zinc/35/37/79/546353779.db2.gz BECHKGCBSOSBDD-CQSZACIVSA-N 2 1 311.857 2.533 20 0 DFADMP C[N@@H+](Cc1ccc(Cl)o1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457350 546353782 /nfs/dbraw/zinc/35/37/82/546353782.db2.gz BECHKGCBSOSBDD-CQSZACIVSA-N 2 1 311.857 2.533 20 0 DFADMP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577745 546370128 /nfs/dbraw/zinc/37/01/28/546370128.db2.gz FVWMOZBPYTYBTJ-CVEARBPZSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577745 546370132 /nfs/dbraw/zinc/37/01/32/546370132.db2.gz FVWMOZBPYTYBTJ-CVEARBPZSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](Cc1nc2cc(F)ccc2o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577386 546370734 /nfs/dbraw/zinc/37/07/34/546370734.db2.gz NSSXKXJVBGDSHC-LBPRGKRZSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](Cc1nc2cc(F)ccc2o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577386 546370736 /nfs/dbraw/zinc/37/07/36/546370736.db2.gz NSSXKXJVBGDSHC-LBPRGKRZSA-N 2 1 314.364 2.858 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)nc2C)[C@@H](C)C1 ZINC000278312519 214083211 /nfs/dbraw/zinc/08/32/11/214083211.db2.gz DCVSOSKBMYQKGL-WMLDXEAASA-N 2 1 323.456 2.756 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)nc2C)[C@@H](C)C1 ZINC000278312519 214083214 /nfs/dbraw/zinc/08/32/14/214083214.db2.gz DCVSOSKBMYQKGL-WMLDXEAASA-N 2 1 323.456 2.756 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278390453 214137167 /nfs/dbraw/zinc/13/71/67/214137167.db2.gz AHMGRQJJILGPTL-NSLUBLRVSA-N 2 1 314.832 2.831 20 0 DFADMP COc1ccccc1C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278393147 214137522 /nfs/dbraw/zinc/13/75/22/214137522.db2.gz CYGOUUPOTLPZGZ-IAGOWNOFSA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278393147 214137524 /nfs/dbraw/zinc/13/75/24/214137524.db2.gz CYGOUUPOTLPZGZ-IAGOWNOFSA-N 2 1 320.477 2.717 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000278715491 214347162 /nfs/dbraw/zinc/34/71/62/214347162.db2.gz VTKIMFSKTZGTNG-LSDHHAIUSA-N 2 1 320.433 2.567 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000309857388 231107974 /nfs/dbraw/zinc/10/79/74/231107974.db2.gz LTOCTTDOJOJTSE-MTEHYEEQSA-N 2 1 314.473 2.912 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000315694856 231143544 /nfs/dbraw/zinc/14/35/44/231143544.db2.gz XHMVCXBGAITCEV-CYBMUJFWSA-N 2 1 320.462 2.934 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000322595209 231211788 /nfs/dbraw/zinc/21/17/88/231211788.db2.gz KUYHADQAUALEBW-UFYCRDLUSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[NH+]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000322595209 231211792 /nfs/dbraw/zinc/21/17/92/231211792.db2.gz KUYHADQAUALEBW-UFYCRDLUSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[NH+]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000322595209 231211796 /nfs/dbraw/zinc/21/17/96/231211796.db2.gz KUYHADQAUALEBW-UFYCRDLUSA-N 2 1 313.489 2.520 20 0 DFADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591906975 398349104 /nfs/dbraw/zinc/34/91/04/398349104.db2.gz WUWIEXJWQWUUEW-GDBMZVCRSA-N 2 1 306.454 2.523 20 0 DFADMP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591906975 398349106 /nfs/dbraw/zinc/34/91/06/398349106.db2.gz WUWIEXJWQWUUEW-GDBMZVCRSA-N 2 1 306.454 2.523 20 0 DFADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591906975 398349109 /nfs/dbraw/zinc/34/91/09/398349109.db2.gz WUWIEXJWQWUUEW-GDBMZVCRSA-N 2 1 306.454 2.523 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N1CCc2c1cccc2C[NH+]1CCCC1 ZINC000081422883 398348244 /nfs/dbraw/zinc/34/82/44/398348244.db2.gz ORERBRRVJKAUOW-UHFFFAOYSA-N 2 1 315.461 2.512 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081634740 398365024 /nfs/dbraw/zinc/36/50/24/398365024.db2.gz GZNBFLDMLHDFMR-KRWDZBQOSA-N 2 1 301.478 2.916 20 0 DFADMP CN(C)c1ccccc1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081634740 398365027 /nfs/dbraw/zinc/36/50/27/398365027.db2.gz GZNBFLDMLHDFMR-KRWDZBQOSA-N 2 1 301.478 2.916 20 0 DFADMP CN(C)c1ccccc1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634740 398365029 /nfs/dbraw/zinc/36/50/29/398365029.db2.gz GZNBFLDMLHDFMR-KRWDZBQOSA-N 2 1 301.478 2.916 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000361955904 282203521 /nfs/dbraw/zinc/20/35/21/282203521.db2.gz ZBHVDSWBPYIZRA-QGZVFWFLSA-N 2 1 301.438 2.723 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1Cn1cccn1 ZINC000361955904 282203523 /nfs/dbraw/zinc/20/35/23/282203523.db2.gz ZBHVDSWBPYIZRA-QGZVFWFLSA-N 2 1 301.438 2.723 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1CCOC1 ZINC000088734678 185263561 /nfs/dbraw/zinc/26/35/61/185263561.db2.gz JOKBHHNMNGRUNC-QGZVFWFLSA-N 2 1 300.402 2.790 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1cc(F)ccc1F ZINC000247001652 282214317 /nfs/dbraw/zinc/21/43/17/282214317.db2.gz KTRMBBNAVZRUJI-WMLDXEAASA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1cc(F)ccc1F ZINC000247001652 282214322 /nfs/dbraw/zinc/21/43/22/282214322.db2.gz KTRMBBNAVZRUJI-WMLDXEAASA-N 2 1 321.371 2.668 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459373169 299089215 /nfs/dbraw/zinc/08/92/15/299089215.db2.gz JUVCFZLSDGAVLS-UHFFFAOYSA-N 2 1 323.912 2.890 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092562009 185325953 /nfs/dbraw/zinc/32/59/53/185325953.db2.gz UWUCPOHKQDATJN-FHERZECASA-N 2 1 310.482 2.818 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000329764345 282251249 /nfs/dbraw/zinc/25/12/49/282251249.db2.gz VPOZVZYUTQXCSM-OCCSQVGLSA-N 2 1 313.405 2.711 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCCO3)CC2)cc1 ZINC000272808293 210209390 /nfs/dbraw/zinc/20/93/90/210209390.db2.gz CBMUCHCAKPKEHD-LJQANCHMSA-N 2 1 320.452 2.991 20 0 DFADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)[C@H]1CCC[NH2+]CC1 ZINC000318519236 529897394 /nfs/dbraw/zinc/89/73/94/529897394.db2.gz RDWUZEONVPTOLH-ZDUSSCGKSA-N 2 1 320.462 2.805 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433596 398425157 /nfs/dbraw/zinc/42/51/57/398425157.db2.gz LIQAUTJDVSTCGJ-GJZGRUSLSA-N 2 1 320.433 2.586 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@@H]1SC ZINC000459427346 299103933 /nfs/dbraw/zinc/10/39/33/299103933.db2.gz NCJRTEJTLVRNEQ-QXSJWSMHSA-N 2 1 300.512 2.605 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000262611800 398432296 /nfs/dbraw/zinc/43/22/96/398432296.db2.gz XTOFWKCEMZTOOX-QZTJIDSGSA-N 2 1 317.477 2.703 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)O[C@@H](C)C2 ZINC000067507195 398438396 /nfs/dbraw/zinc/43/83/96/398438396.db2.gz LZDJQKJLGFUJPT-GJZGRUSLSA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)O[C@@H](C)C2 ZINC000067507195 398438401 /nfs/dbraw/zinc/43/84/01/398438401.db2.gz LZDJQKJLGFUJPT-GJZGRUSLSA-N 2 1 318.461 2.839 20 0 DFADMP Cc1nnc([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)o1 ZINC000585750566 398444156 /nfs/dbraw/zinc/44/41/56/398444156.db2.gz AUQQBTSOLQRVIC-INIZCTEOSA-N 2 1 323.400 2.943 20 0 DFADMP Cc1ccc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)nc1 ZINC000459437855 299106972 /nfs/dbraw/zinc/10/69/72/299106972.db2.gz RKYDMCTYTGGUDD-UHFFFAOYSA-N 2 1 314.477 2.575 20 0 DFADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459455706 299110468 /nfs/dbraw/zinc/11/04/68/299110468.db2.gz DEGIYJJULJTGML-YZGWKJHDSA-N 2 1 313.489 2.820 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999383 530065182 /nfs/dbraw/zinc/06/51/82/530065182.db2.gz OSDGZZLKMBEOFE-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999383 530065183 /nfs/dbraw/zinc/06/51/83/530065183.db2.gz OSDGZZLKMBEOFE-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999383 530065184 /nfs/dbraw/zinc/06/51/84/530065184.db2.gz OSDGZZLKMBEOFE-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043513 530059593 /nfs/dbraw/zinc/05/95/93/530059593.db2.gz SOTMEHQCTUPZNR-ZWKOTPCHSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043513 530059594 /nfs/dbraw/zinc/05/95/94/530059594.db2.gz SOTMEHQCTUPZNR-ZWKOTPCHSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043513 530059595 /nfs/dbraw/zinc/05/95/95/530059595.db2.gz SOTMEHQCTUPZNR-ZWKOTPCHSA-N 2 1 322.880 2.661 20 0 DFADMP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089667013 398462996 /nfs/dbraw/zinc/46/29/96/398462996.db2.gz BZUQSCBQZIAZOJ-ZIAGYGMSSA-N 2 1 305.491 2.781 20 0 DFADMP COC(=O)c1cc([C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)oc1C ZINC000292893445 398487215 /nfs/dbraw/zinc/48/72/15/398487215.db2.gz GBKCYVFEWMYNPI-ACJLOTCBSA-N 2 1 320.433 2.853 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708597 398492153 /nfs/dbraw/zinc/49/21/53/398492153.db2.gz RTISBOQCHCKHSX-BQFCYCMXSA-N 2 1 312.461 2.981 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000090708538 398492172 /nfs/dbraw/zinc/49/21/72/398492172.db2.gz FKQPKQGGHFYYDU-AYBZRNKSSA-N 2 1 302.462 2.912 20 0 DFADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000090775282 398492859 /nfs/dbraw/zinc/49/28/59/398492859.db2.gz KOILYRAPPAHLRE-RGVPCPSESA-N 3 1 307.526 2.959 20 0 DFADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000090775282 398492863 /nfs/dbraw/zinc/49/28/63/398492863.db2.gz KOILYRAPPAHLRE-RGVPCPSESA-N 3 1 307.526 2.959 20 0 DFADMP c1ccc(COc2ccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000302976553 398496061 /nfs/dbraw/zinc/49/60/61/398496061.db2.gz KRAQNKLTWYQCKD-OALUTQOASA-N 2 1 308.425 2.917 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000181941532 199366348 /nfs/dbraw/zinc/36/63/48/199366348.db2.gz FEJCJNXPBMIXIG-HIFRSBDPSA-N 2 1 301.434 2.780 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC000459552784 299131289 /nfs/dbraw/zinc/13/12/89/299131289.db2.gz VCZVAXKUVJUWTH-UHFFFAOYSA-N 2 1 309.498 2.534 20 0 DFADMP CC[C@H](CCO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272672864 210076016 /nfs/dbraw/zinc/07/60/16/210076016.db2.gz QCCPTAHFAUVMTJ-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP COc1ccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)cc1 ZINC000091306416 398525208 /nfs/dbraw/zinc/52/52/08/398525208.db2.gz QZKSIONFJLTGCU-IBGZPJMESA-N 2 1 320.477 2.829 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](C)C[NH+]2CCCCC2)n1 ZINC000091454637 398530497 /nfs/dbraw/zinc/53/04/97/398530497.db2.gz KSTYFDPJEVKJQK-CQSZACIVSA-N 2 1 314.437 2.505 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414080632 295765065 /nfs/dbraw/zinc/76/50/65/295765065.db2.gz DIZIRTQFEJKIES-DJIMGWMZSA-N 2 1 310.869 2.878 20 0 DFADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000319780809 398543939 /nfs/dbraw/zinc/54/39/39/398543939.db2.gz ZHDPRTKKSFVXTD-QZTJIDSGSA-N 2 1 301.478 2.652 20 0 DFADMP CCn1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000414216312 295778537 /nfs/dbraw/zinc/77/85/37/295778537.db2.gz ZMXIJLXIFYDGAJ-HNNXBMFYSA-N 2 1 316.449 2.694 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272581193 210000182 /nfs/dbraw/zinc/00/01/82/210000182.db2.gz QOXDGPQYVLYHDI-RSPOEFSDSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272581193 210000171 /nfs/dbraw/zinc/00/01/71/210000171.db2.gz QOXDGPQYVLYHDI-RSPOEFSDSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000272581193 210000177 /nfs/dbraw/zinc/00/01/77/210000177.db2.gz QOXDGPQYVLYHDI-RSPOEFSDSA-N 3 1 315.505 2.827 20 0 DFADMP C[N@@H+](CCCNC(=O)c1ccccc1CC[NH3+])C1CCCCC1 ZINC000321610510 398553475 /nfs/dbraw/zinc/55/34/75/398553475.db2.gz MPAYRIFBRWFBKH-UHFFFAOYSA-N 2 1 317.477 2.572 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1F ZINC000597046200 398554567 /nfs/dbraw/zinc/55/45/67/398554567.db2.gz BGYOUGKAVHPYPA-UHFFFAOYSA-N 2 1 320.408 2.719 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1Cl ZINC000597045594 398554708 /nfs/dbraw/zinc/55/47/08/398554708.db2.gz ANJKKKICBCHWEN-CYBMUJFWSA-N 2 1 324.852 2.948 20 0 DFADMP COC(=O)c1oc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000597049040 398555536 /nfs/dbraw/zinc/55/55/36/398555536.db2.gz ZJLWWINNEQKWJC-AWEZNQCLSA-N 2 1 322.449 2.976 20 0 DFADMP C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000286970340 219249938 /nfs/dbraw/zinc/24/99/38/219249938.db2.gz PIYBJCZWZZGSMM-WFFDWFOESA-N 2 1 322.880 2.800 20 0 DFADMP C[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286970340 219249941 /nfs/dbraw/zinc/24/99/41/219249941.db2.gz PIYBJCZWZZGSMM-WFFDWFOESA-N 2 1 322.880 2.800 20 0 DFADMP C[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286970340 219249944 /nfs/dbraw/zinc/24/99/44/219249944.db2.gz PIYBJCZWZZGSMM-WFFDWFOESA-N 2 1 322.880 2.800 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000069220758 398557328 /nfs/dbraw/zinc/55/73/28/398557328.db2.gz MFGPIWWIONRIND-UHFFFAOYSA-N 2 1 306.498 2.944 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1Cl ZINC000597132762 398573223 /nfs/dbraw/zinc/57/32/23/398573223.db2.gz LPBORATXCLVJQA-WBMJQRKESA-N 2 1 324.852 2.899 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1Cl ZINC000597132762 398573226 /nfs/dbraw/zinc/57/32/26/398573226.db2.gz LPBORATXCLVJQA-WBMJQRKESA-N 2 1 324.852 2.899 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000069669199 398579558 /nfs/dbraw/zinc/57/95/58/398579558.db2.gz UPMDIPIQEVBHCQ-UHFFFAOYSA-N 3 1 319.493 2.591 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459666302 299159806 /nfs/dbraw/zinc/15/98/06/299159806.db2.gz RKFVSKXUZQCLPN-SJLPKXTDSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459666302 299159808 /nfs/dbraw/zinc/15/98/08/299159808.db2.gz RKFVSKXUZQCLPN-SJLPKXTDSA-N 2 1 312.461 2.605 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000279949492 215263025 /nfs/dbraw/zinc/26/30/25/215263025.db2.gz OJZLOZPIZVLKKO-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000279949492 215263028 /nfs/dbraw/zinc/26/30/28/215263028.db2.gz OJZLOZPIZVLKKO-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000597200207 398588249 /nfs/dbraw/zinc/58/82/49/398588249.db2.gz HDMUMNNEUSOJLY-INIZCTEOSA-N 2 1 316.445 2.577 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1SC ZINC000597209213 398590790 /nfs/dbraw/zinc/59/07/90/398590790.db2.gz RDNZYDKVQBICRA-XLNGHYISSA-N 2 1 312.523 2.892 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1SC ZINC000597209213 398590793 /nfs/dbraw/zinc/59/07/93/398590793.db2.gz RDNZYDKVQBICRA-XLNGHYISSA-N 2 1 312.523 2.892 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(Cl)c1OC ZINC000593315026 398596476 /nfs/dbraw/zinc/59/64/76/398596476.db2.gz OMJPFXQYEYLKCQ-GFCCVEGCSA-N 2 1 321.808 2.658 20 0 DFADMP COc1ccc(COCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000133654020 186003663 /nfs/dbraw/zinc/00/36/63/186003663.db2.gz XQJSLOFJDCDBOI-VKJFTORMSA-N 2 1 306.450 2.530 20 0 DFADMP CCOC(=O)c1ccc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000597256199 398608232 /nfs/dbraw/zinc/60/82/32/398608232.db2.gz MLTRYJFYTZYMQV-HNNXBMFYSA-N 2 1 320.433 2.668 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000092885776 398603692 /nfs/dbraw/zinc/60/36/92/398603692.db2.gz OVZFSYCUGIKTOR-CQSZACIVSA-N 2 1 316.453 2.893 20 0 DFADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000597243725 398604576 /nfs/dbraw/zinc/60/45/76/398604576.db2.gz VPGWYAIFJYOVPR-DKIMLUQUSA-N 2 1 316.445 2.581 20 0 DFADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000597243725 398604577 /nfs/dbraw/zinc/60/45/77/398604577.db2.gz VPGWYAIFJYOVPR-DKIMLUQUSA-N 2 1 316.445 2.581 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000155844275 186117460 /nfs/dbraw/zinc/11/74/60/186117460.db2.gz PZTIVRKURBICNY-ZBFHGGJFSA-N 2 1 300.450 2.807 20 0 DFADMP COCCOCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000175706952 186190237 /nfs/dbraw/zinc/19/02/37/186190237.db2.gz JZCDRLQEGFQSDP-PKOBYXMFSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000175706952 186190239 /nfs/dbraw/zinc/19/02/39/186190239.db2.gz JZCDRLQEGFQSDP-PKOBYXMFSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175706952 186190241 /nfs/dbraw/zinc/19/02/41/186190241.db2.gz JZCDRLQEGFQSDP-PKOBYXMFSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175706952 186190242 /nfs/dbraw/zinc/19/02/42/186190242.db2.gz JZCDRLQEGFQSDP-PKOBYXMFSA-N 2 1 320.477 2.634 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1OC ZINC000093537388 398640812 /nfs/dbraw/zinc/64/08/12/398640812.db2.gz RGWIJKYZONTDPO-BRWVUGGUSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1OC ZINC000093537388 398640814 /nfs/dbraw/zinc/64/08/14/398640814.db2.gz RGWIJKYZONTDPO-BRWVUGGUSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1OC ZINC000093537388 398640816 /nfs/dbraw/zinc/64/08/16/398640816.db2.gz RGWIJKYZONTDPO-BRWVUGGUSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1OC ZINC000093537388 398640819 /nfs/dbraw/zinc/64/08/19/398640819.db2.gz RGWIJKYZONTDPO-BRWVUGGUSA-N 2 1 316.445 2.620 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1C1CCC1 ZINC000590622487 398641589 /nfs/dbraw/zinc/64/15/89/398641589.db2.gz FEOYMSTXMQCWLJ-OALUTQOASA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1C1CCC1 ZINC000590622487 398641590 /nfs/dbraw/zinc/64/15/90/398641590.db2.gz FEOYMSTXMQCWLJ-OALUTQOASA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000590622487 398641591 /nfs/dbraw/zinc/64/15/91/398641591.db2.gz FEOYMSTXMQCWLJ-OALUTQOASA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000590622487 398641592 /nfs/dbraw/zinc/64/15/92/398641592.db2.gz FEOYMSTXMQCWLJ-OALUTQOASA-N 2 1 302.462 2.744 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000590640471 398644027 /nfs/dbraw/zinc/64/40/27/398644027.db2.gz BKPAMASYNNUIJW-KRWDZBQOSA-N 2 1 307.507 2.657 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000194288879 186277355 /nfs/dbraw/zinc/27/73/55/186277355.db2.gz QJIAREGJZAISDP-GOSISDBHSA-N 2 1 310.445 2.638 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000194288879 186277357 /nfs/dbraw/zinc/27/73/57/186277357.db2.gz QJIAREGJZAISDP-GOSISDBHSA-N 2 1 310.445 2.638 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730581 299174700 /nfs/dbraw/zinc/17/47/00/299174700.db2.gz KSDTXGZNWMQZKQ-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459730587 299175014 /nfs/dbraw/zinc/17/50/14/299175014.db2.gz KSDTXGZNWMQZKQ-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000459729362 299174863 /nfs/dbraw/zinc/17/48/63/299174863.db2.gz JCUAIJFSERGZEB-OAHLLOKOSA-N 2 1 304.434 2.669 20 0 DFADMP COCCOCc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459732459 299176069 /nfs/dbraw/zinc/17/60/69/299176069.db2.gz FZEVJLUKSXDXQT-GOSISDBHSA-N 2 1 320.477 2.671 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459735915 299176424 /nfs/dbraw/zinc/17/64/24/299176424.db2.gz PZBGKJXMUSYJDV-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000414844913 295825181 /nfs/dbraw/zinc/82/51/81/295825181.db2.gz DFXMLPSTZFPJAN-NWDGAFQWSA-N 2 1 306.841 2.704 20 0 DFADMP [NH3+][C@H](C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414895822 295831680 /nfs/dbraw/zinc/83/16/80/295831680.db2.gz ZVZNQQWYVGRGOB-CQSZACIVSA-N 2 1 324.350 2.922 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898972 295831947 /nfs/dbraw/zinc/83/19/47/295831947.db2.gz BJJYDZSGTSBJPI-GOSISDBHSA-N 2 1 311.429 2.989 20 0 DFADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1OC(F)F ZINC000414949945 295839257 /nfs/dbraw/zinc/83/92/57/295839257.db2.gz OBTKVDILVNYOAZ-WCQYABFASA-N 2 1 314.376 2.917 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000414950690 295839551 /nfs/dbraw/zinc/83/95/51/295839551.db2.gz GIDKLYSQPOATOH-AAEUAGOBSA-N 2 1 302.340 2.715 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414959145 295840925 /nfs/dbraw/zinc/84/09/25/295840925.db2.gz PSCFKJWUYIAWHR-TVQRCGJNSA-N 2 1 301.203 2.676 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC(F)F ZINC000414962738 295841605 /nfs/dbraw/zinc/84/16/05/295841605.db2.gz ZWSSPGVFLGXZLV-PWSUYJOCSA-N 2 1 300.349 2.527 20 0 DFADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091081 545595738 /nfs/dbraw/zinc/59/57/38/545595738.db2.gz XGNMXDZVYPLJIE-MNAZLIDISA-N 2 1 324.415 2.503 20 0 DFADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091081 545595744 /nfs/dbraw/zinc/59/57/44/545595744.db2.gz XGNMXDZVYPLJIE-MNAZLIDISA-N 2 1 324.415 2.503 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414968570 295842471 /nfs/dbraw/zinc/84/24/71/295842471.db2.gz IOAFRXRSDIQPOJ-CYBMUJFWSA-N 2 1 302.340 2.905 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414977524 295843355 /nfs/dbraw/zinc/84/33/55/295843355.db2.gz QDVQOIYMUCVDDU-IPMKNSEASA-N 2 1 301.478 2.596 20 0 DFADMP CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000172828353 198154508 /nfs/dbraw/zinc/15/45/08/198154508.db2.gz BYNXFJHPSFAYAB-SFHVURJKSA-N 2 1 318.461 2.955 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc2cccnc12 ZINC000415002813 295846063 /nfs/dbraw/zinc/84/60/63/295846063.db2.gz NYEJNZLBGWJJKC-OAHLLOKOSA-N 2 1 305.372 2.878 20 0 DFADMP FC(F)(F)Oc1cccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000415005593 295846547 /nfs/dbraw/zinc/84/65/47/295846547.db2.gz PHCWCSIDSZHHLB-LLVKDONJSA-N 2 1 324.293 2.920 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000072808758 191231585 /nfs/dbraw/zinc/23/15/85/191231585.db2.gz PPTSKYDESGRKPV-FGTMMUONSA-N 2 1 323.525 2.686 20 0 DFADMP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OCc1ccccc1 ZINC000415047413 295851011 /nfs/dbraw/zinc/85/10/11/295851011.db2.gz YJOLPQPLRJHDLJ-YRWFTTLQSA-N 2 1 324.424 2.582 20 0 DFADMP CCCOc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000105476410 398693622 /nfs/dbraw/zinc/69/36/22/398693622.db2.gz WDTBEEQAHNNAMH-UHFFFAOYSA-N 2 1 319.493 2.593 20 0 DFADMP C[C@@]1(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[NH2+]C1 ZINC000415112992 295859713 /nfs/dbraw/zinc/85/97/13/295859713.db2.gz SCFDSUURNSVYCM-GOSISDBHSA-N 2 1 301.434 2.514 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277117035 213304966 /nfs/dbraw/zinc/30/49/66/213304966.db2.gz HNVRJOXDFBNZBN-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000277117035 213304973 /nfs/dbraw/zinc/30/49/73/213304973.db2.gz HNVRJOXDFBNZBN-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000108462044 398711335 /nfs/dbraw/zinc/71/13/35/398711335.db2.gz DXHKNUDUYVZQLX-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000074067212 398721626 /nfs/dbraw/zinc/72/16/26/398721626.db2.gz PZWSTSVBQNVGNR-INIZCTEOSA-N 2 1 320.481 2.729 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000074067212 398721628 /nfs/dbraw/zinc/72/16/28/398721628.db2.gz PZWSTSVBQNVGNR-INIZCTEOSA-N 2 1 320.481 2.729 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236795722 202013731 /nfs/dbraw/zinc/01/37/31/202013731.db2.gz CAINUYZNYVHDNX-PBHICJAKSA-N 2 1 303.450 2.983 20 0 DFADMP CCC([NH3+])(CC)CNC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236798883 202016035 /nfs/dbraw/zinc/01/60/35/202016035.db2.gz FOKDMNWQGSZJKG-KRWDZBQOSA-N 2 1 317.477 2.532 20 0 DFADMP COC(=O)[C@H](C)[C@@H](NCC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000129195150 283005773 /nfs/dbraw/zinc/00/57/73/283005773.db2.gz ATPYJZWVTFHFDL-HYVNUMGLSA-N 2 1 304.434 2.611 20 0 DFADMP COC(=O)[C@H](C)[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000129195150 283005780 /nfs/dbraw/zinc/00/57/80/283005780.db2.gz ATPYJZWVTFHFDL-HYVNUMGLSA-N 2 1 304.434 2.611 20 0 DFADMP COC(=O)[C@H](C)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000129195150 283005782 /nfs/dbraw/zinc/00/57/82/283005782.db2.gz ATPYJZWVTFHFDL-HYVNUMGLSA-N 2 1 304.434 2.611 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000368250729 291037838 /nfs/dbraw/zinc/03/78/38/291037838.db2.gz RHXBJZAHXPGPEP-OKZBNKHCSA-N 2 1 321.509 2.584 20 0 DFADMP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@H]1c1ccccc1 ZINC000284318916 283058455 /nfs/dbraw/zinc/05/84/55/283058455.db2.gz POQDRDGQBQGDQR-RTBURBONSA-N 2 1 301.478 2.897 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130742638 283059579 /nfs/dbraw/zinc/05/95/79/283059579.db2.gz XIQQLRSCOXTOTP-WBVHZDCISA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130742638 283059582 /nfs/dbraw/zinc/05/95/82/283059582.db2.gz XIQQLRSCOXTOTP-WBVHZDCISA-N 2 1 320.481 2.693 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000681127215 545601033 /nfs/dbraw/zinc/60/10/33/545601033.db2.gz ZKWAGYNSTSPQCV-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000591163906 398735066 /nfs/dbraw/zinc/73/50/66/398735066.db2.gz XZCZQYCOMUMOQD-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc(N2CCCC2)n1 ZINC000131381303 283082623 /nfs/dbraw/zinc/08/26/23/283082623.db2.gz RITSBBDHELQYCI-UHFFFAOYSA-N 2 1 314.477 2.646 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000081516448 192276648 /nfs/dbraw/zinc/27/66/48/192276648.db2.gz QMEQSSKZWGEDDW-OAHLLOKOSA-N 2 1 313.445 2.692 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000081516448 192276651 /nfs/dbraw/zinc/27/66/51/192276651.db2.gz QMEQSSKZWGEDDW-OAHLLOKOSA-N 2 1 313.445 2.692 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000081516448 192276653 /nfs/dbraw/zinc/27/66/53/192276653.db2.gz QMEQSSKZWGEDDW-OAHLLOKOSA-N 2 1 313.445 2.692 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000081516448 192276657 /nfs/dbraw/zinc/27/66/57/192276657.db2.gz QMEQSSKZWGEDDW-OAHLLOKOSA-N 2 1 313.445 2.692 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236854370 202039592 /nfs/dbraw/zinc/03/95/92/202039592.db2.gz TYJYYWUXKPIYHU-ROUUACIJSA-N 2 1 317.477 2.532 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(CC)CCC[NH2+]2)C1 ZINC000134601923 283193650 /nfs/dbraw/zinc/19/36/50/283193650.db2.gz VDCYCJBNDJONGZ-YJBOKZPZSA-N 2 1 309.498 2.535 20 0 DFADMP CC[C@@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000134616983 283194506 /nfs/dbraw/zinc/19/45/06/283194506.db2.gz RXIOOLNHHABFIQ-APWZRJJASA-N 2 1 317.477 2.545 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1)C(C)C ZINC000236994159 202112687 /nfs/dbraw/zinc/11/26/87/202112687.db2.gz GHDHFBZUBDPYHB-CVEARBPZSA-N 2 1 317.477 2.739 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@](C)([NH3+])c1ccccc1)C1CCCCC1 ZINC000237071228 202143207 /nfs/dbraw/zinc/14/32/07/202143207.db2.gz PZSIAAMZDHPCOD-IBGZPJMESA-N 2 1 317.477 2.631 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000247553569 283208156 /nfs/dbraw/zinc/20/81/56/283208156.db2.gz YZJAWRLVFUQBHU-IAGOWNOFSA-N 2 1 311.514 2.687 20 0 DFADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000237188024 202183603 /nfs/dbraw/zinc/18/36/03/202183603.db2.gz KLLQZACAYTURHT-LJQANCHMSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)C2(CCCCC2)C1 ZINC000237192981 202181796 /nfs/dbraw/zinc/18/17/96/202181796.db2.gz XSIBCRCDYSORFI-KRWDZBQOSA-N 2 1 315.461 2.553 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1 ZINC000237223492 202196101 /nfs/dbraw/zinc/19/61/01/202196101.db2.gz NRQHIEWBWDXLEK-HNNXBMFYSA-N 2 1 304.434 2.685 20 0 DFADMP CCCN(CC[NH+](CC)CC)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356149990 283232329 /nfs/dbraw/zinc/23/23/29/283232329.db2.gz VKIGXBCQROGOIW-KRWDZBQOSA-N 2 1 311.514 2.831 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000138252357 283256574 /nfs/dbraw/zinc/25/65/74/283256574.db2.gz FWKHLPAFPWPBNS-HZPDHXFCSA-N 2 1 318.490 2.835 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000138252357 283256579 /nfs/dbraw/zinc/25/65/79/283256579.db2.gz FWKHLPAFPWPBNS-HZPDHXFCSA-N 2 1 318.490 2.835 20 0 DFADMP CCc1nncn1CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151523239 283287351 /nfs/dbraw/zinc/28/73/51/283287351.db2.gz HDDVAROQRCBXRR-AWEZNQCLSA-N 2 1 324.432 2.685 20 0 DFADMP CCSCC[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594495495 398809714 /nfs/dbraw/zinc/80/97/14/398809714.db2.gz AOCPOCXRYDWXJF-ZBFHGGJFSA-N 2 1 300.512 2.751 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000179523655 199050338 /nfs/dbraw/zinc/05/03/38/199050338.db2.gz AMBRRVRRIJRYSO-WPPQDWHVSA-N 2 1 323.431 2.782 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000179523655 199050340 /nfs/dbraw/zinc/05/03/40/199050340.db2.gz AMBRRVRRIJRYSO-WPPQDWHVSA-N 2 1 323.431 2.782 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000151950920 283303967 /nfs/dbraw/zinc/30/39/67/283303967.db2.gz JRQJDDOLTHGXTQ-OAHLLOKOSA-N 2 1 313.486 2.563 20 0 DFADMP CCOC(=O)[C@H]([NH2+]C[C@H]1CC[NH2+][C@@H](C)C1)C1CCCCCC1 ZINC000594583215 398824400 /nfs/dbraw/zinc/82/44/00/398824400.db2.gz BWIYMGBPYQVMMG-YQQAZPJKSA-N 2 1 310.482 2.866 20 0 DFADMP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000130384516 398844446 /nfs/dbraw/zinc/84/44/46/398844446.db2.gz SUPXTRMMNWLVSC-GOSISDBHSA-N 2 1 317.477 2.805 20 0 DFADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1F ZINC000237346690 202240242 /nfs/dbraw/zinc/24/02/42/202240242.db2.gz MSSYNKJPAAVQTB-GASCZTMLSA-N 2 1 324.440 2.813 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000468107391 299276368 /nfs/dbraw/zinc/27/63/68/299276368.db2.gz ZNLAUDGITTXZKA-NCOADZHNSA-N 2 1 323.525 2.589 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000276641339 213018478 /nfs/dbraw/zinc/01/84/78/213018478.db2.gz KVLGCSXLUIVJGJ-ZDUSSCGKSA-N 2 1 303.406 2.639 20 0 DFADMP Cc1cccc(CCC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000181097044 199251960 /nfs/dbraw/zinc/25/19/60/199251960.db2.gz YFTVCPKBZBHEQC-SFHVURJKSA-N 2 1 318.505 2.952 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000165898072 283382510 /nfs/dbraw/zinc/38/25/10/283382510.db2.gz KGINKHUPNQRKQA-NJAFHUGGSA-N 2 1 317.477 2.531 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000173948604 283390968 /nfs/dbraw/zinc/39/09/68/283390968.db2.gz SKKDDVKWBBHVQR-QGZVFWFLSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000173948604 283390972 /nfs/dbraw/zinc/39/09/72/283390972.db2.gz SKKDDVKWBBHVQR-QGZVFWFLSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000173948604 283390976 /nfs/dbraw/zinc/39/09/76/283390976.db2.gz SKKDDVKWBBHVQR-QGZVFWFLSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000173948604 283390980 /nfs/dbraw/zinc/39/09/80/283390980.db2.gz SKKDDVKWBBHVQR-QGZVFWFLSA-N 2 1 304.434 2.779 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([S@](C)=O)cc1 ZINC000598969325 398899999 /nfs/dbraw/zinc/89/99/99/398899999.db2.gz FHKQKJSIENGJAO-YHQOMNDMSA-N 2 1 308.491 2.947 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([S@](C)=O)cc1 ZINC000598969325 398900000 /nfs/dbraw/zinc/90/00/00/398900000.db2.gz FHKQKJSIENGJAO-YHQOMNDMSA-N 2 1 308.491 2.947 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000598978699 398901864 /nfs/dbraw/zinc/90/18/64/398901864.db2.gz RFKLMFSMVCJEET-GOOCMWNKSA-N 2 1 319.449 2.523 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000598978699 398901872 /nfs/dbraw/zinc/90/18/72/398901872.db2.gz RFKLMFSMVCJEET-GOOCMWNKSA-N 2 1 319.449 2.523 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000598981095 398902383 /nfs/dbraw/zinc/90/23/83/398902383.db2.gz MCGUWPHBALLGPL-ZNMIVQPWSA-N 2 1 310.482 2.959 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1CNc1cc[nH+]c(N(C)C)n1 ZINC000077488858 398906662 /nfs/dbraw/zinc/90/66/62/398906662.db2.gz LDFYTPPCWUQWPY-UHFFFAOYSA-N 2 1 313.449 2.995 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[nH+]c(N(C)C)n1 ZINC000077488858 398906663 /nfs/dbraw/zinc/90/66/63/398906663.db2.gz LDFYTPPCWUQWPY-UHFFFAOYSA-N 2 1 313.449 2.995 20 0 DFADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000187789348 200156796 /nfs/dbraw/zinc/15/67/96/200156796.db2.gz OYXHVRJDBSLKMA-OAHLLOKOSA-N 2 1 314.433 2.576 20 0 DFADMP CSC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000187932103 200178041 /nfs/dbraw/zinc/17/80/41/200178041.db2.gz OQNMWUQNELOTQO-NXHRZFHOSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000187932103 200178043 /nfs/dbraw/zinc/17/80/43/200178043.db2.gz OQNMWUQNELOTQO-NXHRZFHOSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187932103 200178044 /nfs/dbraw/zinc/17/80/44/200178044.db2.gz OQNMWUQNELOTQO-NXHRZFHOSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187932103 200178046 /nfs/dbraw/zinc/17/80/46/200178046.db2.gz OQNMWUQNELOTQO-NXHRZFHOSA-N 2 1 322.518 2.695 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000187962393 200183951 /nfs/dbraw/zinc/18/39/51/200183951.db2.gz QGDAYKZQBSLUTA-INIZCTEOSA-N 2 1 321.484 2.620 20 0 DFADMP C[C@@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237536053 202275527 /nfs/dbraw/zinc/27/55/27/202275527.db2.gz NNBPLCVQEYLTON-FGTMMUONSA-N 2 1 323.525 2.641 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000599072024 398917058 /nfs/dbraw/zinc/91/70/58/398917058.db2.gz WVFJNWYIZFSDTL-VFCRVFHLSA-N 2 1 308.491 2.807 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC=CO3)CC2)cc1 ZINC000188570731 200267795 /nfs/dbraw/zinc/26/77/95/200267795.db2.gz HJEYDNWJKNPMJI-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292388598 223041170 /nfs/dbraw/zinc/04/11/70/223041170.db2.gz SADGZHWPMJFOGZ-AWEZNQCLSA-N 2 1 302.397 2.541 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CC1 ZINC000417386997 296015676 /nfs/dbraw/zinc/01/56/76/296015676.db2.gz TVZQSUJLTYIXTM-AEFFLSMTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000417386997 296015679 /nfs/dbraw/zinc/01/56/79/296015679.db2.gz TVZQSUJLTYIXTM-AEFFLSMTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000417386997 296015681 /nfs/dbraw/zinc/01/56/81/296015681.db2.gz TVZQSUJLTYIXTM-AEFFLSMTSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)N(C)c2ccccc2)C1 ZINC000281251066 216186087 /nfs/dbraw/zinc/18/60/87/216186087.db2.gz UZHRRCOCGZKDPR-KRWDZBQOSA-N 2 1 317.477 2.703 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1OCCc2sccc21 ZINC000292420513 223066978 /nfs/dbraw/zinc/06/69/78/223066978.db2.gz MSMRDQMMQFZJJJ-WBMJQRKESA-N 2 1 305.447 2.935 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCOC1 ZINC000471872717 299311769 /nfs/dbraw/zinc/31/17/69/299311769.db2.gz RALMXKHWTURQFE-CEXWTWQISA-N 2 1 302.462 2.695 20 0 DFADMP C[N@H+](CCC[NH+]1CCCC1)CCc1nc(-c2ccccc2)no1 ZINC000281337430 216230945 /nfs/dbraw/zinc/23/09/45/216230945.db2.gz MHMAMEXRTPICCC-UHFFFAOYSA-N 2 1 314.433 2.697 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)CCc1nc(-c2ccccc2)no1 ZINC000281337430 216230948 /nfs/dbraw/zinc/23/09/48/216230948.db2.gz MHMAMEXRTPICCC-UHFFFAOYSA-N 2 1 314.433 2.697 20 0 DFADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000599322739 398954371 /nfs/dbraw/zinc/95/43/71/398954371.db2.gz JCGXRVZVMFJOHO-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP COC(=O)CCCC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000599328721 398955017 /nfs/dbraw/zinc/95/50/17/398955017.db2.gz SFFGEHYPKRXGHM-UHFFFAOYSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCCC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000599328721 398955018 /nfs/dbraw/zinc/95/50/18/398955018.db2.gz SFFGEHYPKRXGHM-UHFFFAOYSA-N 2 1 318.461 2.926 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)CC[N@@H+]1C ZINC000292757060 223231309 /nfs/dbraw/zinc/23/13/09/223231309.db2.gz IPQAVADWWPVOEQ-CWRNSKLLSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)CC[N@H+]1C ZINC000292757060 223231310 /nfs/dbraw/zinc/23/13/10/223231310.db2.gz IPQAVADWWPVOEQ-CWRNSKLLSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC[NH+]1C ZINC000292757060 223231311 /nfs/dbraw/zinc/23/13/11/223231311.db2.gz IPQAVADWWPVOEQ-CWRNSKLLSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC[NH+]1C ZINC000292757060 223231313 /nfs/dbraw/zinc/23/13/13/223231313.db2.gz IPQAVADWWPVOEQ-CWRNSKLLSA-N 2 1 302.418 2.881 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)n1 ZINC000292837652 223268263 /nfs/dbraw/zinc/26/82/63/223268263.db2.gz RVODFLGPKZZEJN-IBGZPJMESA-N 2 1 310.445 2.615 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)n1 ZINC000292837652 223268265 /nfs/dbraw/zinc/26/82/65/223268265.db2.gz RVODFLGPKZZEJN-IBGZPJMESA-N 2 1 310.445 2.615 20 0 DFADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2ccccc2)n1 ZINC000292837652 223268267 /nfs/dbraw/zinc/26/82/67/223268267.db2.gz RVODFLGPKZZEJN-IBGZPJMESA-N 2 1 310.445 2.615 20 0 DFADMP Cn1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2ccccc2)n1 ZINC000292837652 223268268 /nfs/dbraw/zinc/26/82/68/223268268.db2.gz RVODFLGPKZZEJN-IBGZPJMESA-N 2 1 310.445 2.615 20 0 DFADMP C[N@@H+]1CC[C@@H]2CC[NH+](CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310900 201026818 /nfs/dbraw/zinc/02/68/18/201026818.db2.gz NQGCXDINDADFAD-SJLPKXTDSA-N 2 1 300.446 2.580 20 0 DFADMP C[N@H+]1CC[C@@H]2CC[NH+](CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310900 201026821 /nfs/dbraw/zinc/02/68/21/201026821.db2.gz NQGCXDINDADFAD-SJLPKXTDSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310900 201026823 /nfs/dbraw/zinc/02/68/23/201026823.db2.gz NQGCXDINDADFAD-SJLPKXTDSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310900 201026825 /nfs/dbraw/zinc/02/68/25/201026825.db2.gz NQGCXDINDADFAD-SJLPKXTDSA-N 2 1 300.446 2.580 20 0 DFADMP Fc1cncc([C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000281471184 216323450 /nfs/dbraw/zinc/32/34/50/216323450.db2.gz FGRHKSJNNFPXSP-YVEFUNNKSA-N 2 1 300.381 2.721 20 0 DFADMP Cn1cnc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc21 ZINC000271873376 209286333 /nfs/dbraw/zinc/28/63/33/209286333.db2.gz SQDHLZKHCFBARR-QGZVFWFLSA-N 2 1 312.461 2.881 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc21 ZINC000271873376 209286335 /nfs/dbraw/zinc/28/63/35/209286335.db2.gz SQDHLZKHCFBARR-QGZVFWFLSA-N 2 1 312.461 2.881 20 0 DFADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1C ZINC000193903419 201142473 /nfs/dbraw/zinc/14/24/73/201142473.db2.gz ZVOZMGKMFLVMEN-MRXNPFEDSA-N 2 1 320.477 2.528 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 ZINC000193984451 201157249 /nfs/dbraw/zinc/15/72/49/201157249.db2.gz LUHCAIISBHRYBV-KBAYOESNSA-N 2 1 324.428 2.623 20 0 DFADMP C[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000194421512 201223540 /nfs/dbraw/zinc/22/35/40/201223540.db2.gz DYZYYQZHJKBXEP-KRWDZBQOSA-N 2 1 303.494 2.653 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1)C2 ZINC000275648426 212460798 /nfs/dbraw/zinc/46/07/98/212460798.db2.gz UEUBUWDYFFGQLC-CQSZACIVSA-N 2 1 307.401 2.625 20 0 DFADMP Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1Cl ZINC000195442567 201391645 /nfs/dbraw/zinc/39/16/45/201391645.db2.gz NYPCRCGLTUPVAG-INIZCTEOSA-N 2 1 310.869 2.975 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621648520 399007263 /nfs/dbraw/zinc/00/72/63/399007263.db2.gz WWVATLBZUODHRT-IRXDYDNUSA-N 2 1 323.525 2.783 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275530542 212398152 /nfs/dbraw/zinc/39/81/52/212398152.db2.gz LVYZXPAAHZVFQW-OAHLLOKOSA-N 2 1 315.465 2.804 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275530538 212397743 /nfs/dbraw/zinc/39/77/43/212397743.db2.gz LVYZXPAAHZVFQW-HNNXBMFYSA-N 2 1 315.465 2.804 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000292939202 223318387 /nfs/dbraw/zinc/31/83/87/223318387.db2.gz JTYPPUITNLOUDZ-IBGZPJMESA-N 2 1 312.461 2.534 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)n1-c1ccccc1 ZINC000275505077 212379716 /nfs/dbraw/zinc/37/97/16/212379716.db2.gz JVJLSYZYLXVPMF-INIZCTEOSA-N 2 1 321.428 2.729 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(F)cc2Br)CC1 ZINC000271809410 209234311 /nfs/dbraw/zinc/23/43/11/209234311.db2.gz KPUJIJDEWVHXKX-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275452673 212341542 /nfs/dbraw/zinc/34/15/42/212341542.db2.gz GQIYQFPDGDZAMU-OAHLLOKOSA-N 2 1 321.428 2.934 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000275426896 212325381 /nfs/dbraw/zinc/32/53/81/212325381.db2.gz FMHVVIXZTMNTIP-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000275426896 212325384 /nfs/dbraw/zinc/32/53/84/212325384.db2.gz FMHVVIXZTMNTIP-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000275426896 212325385 /nfs/dbraw/zinc/32/53/85/212325385.db2.gz FMHVVIXZTMNTIP-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[N@@H+](C)C1 ZINC000275426896 212325390 /nfs/dbraw/zinc/32/53/90/212325390.db2.gz FMHVVIXZTMNTIP-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(SC)cc1OC ZINC000271804267 209230183 /nfs/dbraw/zinc/23/01/83/209230183.db2.gz JOYGFMAJKFUTJE-UHFFFAOYSA-N 2 1 322.474 2.777 20 0 DFADMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CCC[NH+](C)C1 ZINC000605421270 399018509 /nfs/dbraw/zinc/01/85/09/399018509.db2.gz GCLXHAWDERCTPU-LBPRGKRZSA-N 2 1 310.825 2.842 20 0 DFADMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CCC[NH+](C)C1 ZINC000605421270 399018515 /nfs/dbraw/zinc/01/85/15/399018515.db2.gz GCLXHAWDERCTPU-LBPRGKRZSA-N 2 1 310.825 2.842 20 0 DFADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000605421270 399018522 /nfs/dbraw/zinc/01/85/22/399018522.db2.gz GCLXHAWDERCTPU-LBPRGKRZSA-N 2 1 310.825 2.842 20 0 DFADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000605421270 399018526 /nfs/dbraw/zinc/01/85/26/399018526.db2.gz GCLXHAWDERCTPU-LBPRGKRZSA-N 2 1 310.825 2.842 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592000 399024638 /nfs/dbraw/zinc/02/46/38/399024638.db2.gz XDZYCWNGISKWAN-ZBFHGGJFSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592000 399024643 /nfs/dbraw/zinc/02/46/43/399024643.db2.gz XDZYCWNGISKWAN-ZBFHGGJFSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000599592000 399024647 /nfs/dbraw/zinc/02/46/47/399024647.db2.gz XDZYCWNGISKWAN-ZBFHGGJFSA-N 2 1 321.465 2.881 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000091333633 193041387 /nfs/dbraw/zinc/04/13/87/193041387.db2.gz ISULIQRDGFSNPQ-MRXNPFEDSA-N 2 1 323.912 2.888 20 0 DFADMP CC[C@@H](C(=O)OC)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476984761 299358285 /nfs/dbraw/zinc/35/82/85/299358285.db2.gz MPBKWNSFTDOJKT-RDJZCZTQSA-N 2 1 310.482 2.915 20 0 DFADMP CC[C@@H](C(=O)OC)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000476984761 299358288 /nfs/dbraw/zinc/35/82/88/299358288.db2.gz MPBKWNSFTDOJKT-RDJZCZTQSA-N 2 1 310.482 2.915 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)c(C)n2n1 ZINC000091733589 193099608 /nfs/dbraw/zinc/09/96/08/193099608.db2.gz PWXUKXOOAGUMFJ-BPUTZDHNSA-N 2 1 315.465 2.870 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3nccnc3C)C1)CCCC2 ZINC000621723776 399048591 /nfs/dbraw/zinc/04/85/91/399048591.db2.gz QNDYDOZLNLQGOC-OAHLLOKOSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3nccnc3C)C1)CCCC2 ZINC000621723776 399048594 /nfs/dbraw/zinc/04/85/94/399048594.db2.gz QNDYDOZLNLQGOC-OAHLLOKOSA-N 2 1 311.433 2.616 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C(=O)OC)C1CC1 ZINC000599659145 399048749 /nfs/dbraw/zinc/04/87/49/399048749.db2.gz DBPNHNRCQVZMGA-KRWDZBQOSA-N 2 1 304.434 2.522 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@H+]2CC)o1 ZINC000600445587 399054093 /nfs/dbraw/zinc/05/40/93/399054093.db2.gz RIIVULZDQORSID-HNNXBMFYSA-N 2 1 321.465 2.726 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C(C)C)o1 ZINC000606338882 399056582 /nfs/dbraw/zinc/05/65/82/399056582.db2.gz OVGABOOFUSCCGE-MRXNPFEDSA-N 2 1 321.465 2.534 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)o1 ZINC000606338882 399056590 /nfs/dbraw/zinc/05/65/90/399056590.db2.gz OVGABOOFUSCCGE-MRXNPFEDSA-N 2 1 321.465 2.534 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000057833247 399065899 /nfs/dbraw/zinc/06/58/99/399065899.db2.gz CVHHKCRMBNPBHN-KRWDZBQOSA-N 2 1 317.477 2.670 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000621749883 399066092 /nfs/dbraw/zinc/06/60/92/399066092.db2.gz DRGWTBWUJDKMTI-YJBOKZPZSA-N 2 1 313.445 2.558 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000621749881 399066430 /nfs/dbraw/zinc/06/64/30/399066430.db2.gz DRGWTBWUJDKMTI-MAUKXSAKSA-N 2 1 313.445 2.558 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cnn1C(C)C ZINC000278987139 283971173 /nfs/dbraw/zinc/97/11/73/283971173.db2.gz PQWXDCAUDDJORD-HIFRSBDPSA-N 2 1 301.438 2.882 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cnn1C(C)C ZINC000278987137 283971423 /nfs/dbraw/zinc/97/14/23/283971423.db2.gz PQWXDCAUDDJORD-DZGCQCFKSA-N 2 1 301.438 2.882 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000058060979 399074244 /nfs/dbraw/zinc/07/42/44/399074244.db2.gz FMCCHKBKGLINAO-AWEZNQCLSA-N 2 1 322.449 2.532 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000058060979 399074252 /nfs/dbraw/zinc/07/42/52/399074252.db2.gz FMCCHKBKGLINAO-AWEZNQCLSA-N 2 1 322.449 2.532 20 0 DFADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479960936 299385011 /nfs/dbraw/zinc/38/50/11/299385011.db2.gz UQINCVZNUNRIAC-IYBDPMFKSA-N 2 1 324.472 2.821 20 0 DFADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000479960936 299385014 /nfs/dbraw/zinc/38/50/14/299385014.db2.gz UQINCVZNUNRIAC-IYBDPMFKSA-N 2 1 324.472 2.821 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000275188061 212183224 /nfs/dbraw/zinc/18/32/24/212183224.db2.gz YRBZZTLVZHVISI-QAPCUYQASA-N 2 1 317.477 2.646 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338272634 284097294 /nfs/dbraw/zinc/09/72/94/284097294.db2.gz CQCIXLANFYUDBO-GDBMZVCRSA-N 2 1 318.452 2.837 20 0 DFADMP CC(C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000338459891 284116780 /nfs/dbraw/zinc/11/67/80/284116780.db2.gz TWOGKBQSCMSJAZ-RTBURBONSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000338459891 284116782 /nfs/dbraw/zinc/11/67/82/284116782.db2.gz TWOGKBQSCMSJAZ-RTBURBONSA-N 2 1 304.478 2.895 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419327193 296134820 /nfs/dbraw/zinc/13/48/20/296134820.db2.gz NIPIJINDBXUYAG-SJORKVTESA-N 2 1 323.525 2.734 20 0 DFADMP COC1(C(F)(F)F)CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000419355848 296136219 /nfs/dbraw/zinc/13/62/19/296136219.db2.gz RVTULDGGHJOHTE-UHFFFAOYSA-N 2 1 305.344 2.625 20 0 DFADMP C[N@H+](Cc1cccc2c1OCCCO2)CC1CC[NH+](C)CC1 ZINC000093088633 193201507 /nfs/dbraw/zinc/20/15/07/193201507.db2.gz IZAFXPUEMSQBHI-UHFFFAOYSA-N 2 1 304.434 2.622 20 0 DFADMP C[C@H]1C[N@@H+](CC2(C[NH+]3C[C@@H](C)[C@@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375254 296137793 /nfs/dbraw/zinc/13/77/93/296137793.db2.gz RGBJFOGAWHUZMQ-RFSXOUPVSA-N 2 1 308.510 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2(C[N@@H+]3C[C@@H](C)[C@@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375254 296137795 /nfs/dbraw/zinc/13/77/95/296137795.db2.gz RGBJFOGAWHUZMQ-RFSXOUPVSA-N 2 1 308.510 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2(C[N@H+]3C[C@@H](C)[C@@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375254 296137797 /nfs/dbraw/zinc/13/77/97/296137797.db2.gz RGBJFOGAWHUZMQ-RFSXOUPVSA-N 2 1 308.510 2.956 20 0 DFADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262165846 203215964 /nfs/dbraw/zinc/21/59/64/203215964.db2.gz WCZYGMDGVACBEH-YOEHRIQHSA-N 2 1 303.450 2.984 20 0 DFADMP Cc1ncccc1OC[C@@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000419384640 296138523 /nfs/dbraw/zinc/13/85/23/296138523.db2.gz GQMMJIMGQFPSCE-SJORKVTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000419384640 296138524 /nfs/dbraw/zinc/13/85/24/296138524.db2.gz GQMMJIMGQFPSCE-SJORKVTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000419384640 296138527 /nfs/dbraw/zinc/13/85/27/296138527.db2.gz GQMMJIMGQFPSCE-SJORKVTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ccsc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000093147338 193208813 /nfs/dbraw/zinc/20/88/13/193208813.db2.gz TWPTVOMVKUGBIW-MRXNPFEDSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1ccsc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000093147338 193208815 /nfs/dbraw/zinc/20/88/15/193208815.db2.gz TWPTVOMVKUGBIW-MRXNPFEDSA-N 2 1 307.507 2.658 20 0 DFADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340196438 284158627 /nfs/dbraw/zinc/15/86/27/284158627.db2.gz HOJANYLGAIHULG-SZMVWBNQSA-N 2 1 317.477 2.716 20 0 DFADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340196438 284158628 /nfs/dbraw/zinc/15/86/28/284158628.db2.gz HOJANYLGAIHULG-SZMVWBNQSA-N 2 1 317.477 2.716 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262645174 203363252 /nfs/dbraw/zinc/36/32/52/203363252.db2.gz JXJMPZHPRDVSLG-NVXWUHKLSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262645174 203363254 /nfs/dbraw/zinc/36/32/54/203363254.db2.gz JXJMPZHPRDVSLG-NVXWUHKLSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262645178 203363634 /nfs/dbraw/zinc/36/36/34/203363634.db2.gz JXJMPZHPRDVSLG-RDJZCZTQSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262645178 203363637 /nfs/dbraw/zinc/36/36/37/203363637.db2.gz JXJMPZHPRDVSLG-RDJZCZTQSA-N 2 1 317.477 2.622 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340293693 284169277 /nfs/dbraw/zinc/16/92/77/284169277.db2.gz UQKFAGJHGUGBHV-DLBZAZTESA-N 2 1 317.477 2.716 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340293693 284169280 /nfs/dbraw/zinc/16/92/80/284169280.db2.gz UQKFAGJHGUGBHV-DLBZAZTESA-N 2 1 317.477 2.716 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000262711651 203388867 /nfs/dbraw/zinc/38/88/67/203388867.db2.gz QTKHLNOFWPTIIS-GOSISDBHSA-N 2 1 305.466 2.661 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725338 399125171 /nfs/dbraw/zinc/12/51/71/399125171.db2.gz JAWUGWLQFFNPTI-QWHCGFSZSA-N 2 1 324.387 2.569 20 0 DFADMP CN(C)c1ncc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)n1C ZINC000419677379 296147041 /nfs/dbraw/zinc/14/70/41/296147041.db2.gz CQAWWSCBDPMHII-UHFFFAOYSA-N 2 1 321.513 2.620 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(CC)nn(C)c2CC)C1 ZINC000093753276 193299722 /nfs/dbraw/zinc/29/97/22/193299722.db2.gz GBNARSNKXSJMSU-HNNXBMFYSA-N 2 1 306.498 2.709 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(CC)nn(C)c2CC)C1 ZINC000093753276 193299724 /nfs/dbraw/zinc/29/97/24/193299724.db2.gz GBNARSNKXSJMSU-HNNXBMFYSA-N 2 1 306.498 2.709 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000093753276 193299725 /nfs/dbraw/zinc/29/97/25/193299725.db2.gz GBNARSNKXSJMSU-HNNXBMFYSA-N 2 1 306.498 2.709 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000093753276 193299727 /nfs/dbraw/zinc/29/97/27/193299727.db2.gz GBNARSNKXSJMSU-HNNXBMFYSA-N 2 1 306.498 2.709 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C[C@@H]1c1ccccc1 ZINC000340304953 284171409 /nfs/dbraw/zinc/17/14/09/284171409.db2.gz IYFITLORLVEISA-JENIJYKNSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C[C@@H]1c1ccccc1 ZINC000340304953 284171411 /nfs/dbraw/zinc/17/14/11/284171411.db2.gz IYFITLORLVEISA-JENIJYKNSA-N 2 1 310.445 2.692 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274925763 212038458 /nfs/dbraw/zinc/03/84/58/212038458.db2.gz PUAXHTIDCGBMRS-WNHJNPCNSA-N 2 1 302.462 2.790 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000595912185 399133701 /nfs/dbraw/zinc/13/37/01/399133701.db2.gz ZBSHTXAVKBTABY-RHSMWYFYSA-N 2 1 304.434 2.813 20 0 DFADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NCCC[NH3+])c2c1C ZINC000420145381 296159543 /nfs/dbraw/zinc/15/95/43/296159543.db2.gz NVVRAESGXAMMEG-UHFFFAOYSA-N 2 1 319.478 2.665 20 0 DFADMP [NH3+][C@H]1CCCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000420130640 296159239 /nfs/dbraw/zinc/15/92/39/296159239.db2.gz XWTLRAZMRCEZSY-NSHDSACASA-N 2 1 306.207 2.925 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccc(Cl)cn2)CC1 ZINC000274907603 212024915 /nfs/dbraw/zinc/02/49/15/212024915.db2.gz MLRABLWOUPZXMH-HNNXBMFYSA-N 2 1 324.900 2.803 20 0 DFADMP Brc1ccc2[nH+]ccc(NCC[C@@H]3CC[NH2+]C3)c2c1 ZINC000420222332 296163393 /nfs/dbraw/zinc/16/33/93/296163393.db2.gz RUXMHCJHTUHEJC-NSHDSACASA-N 2 1 320.234 2.831 20 0 DFADMP [NH3+]C1(CNc2cc[nH+]c3ccc(Br)cc23)CCC1 ZINC000420229061 296163920 /nfs/dbraw/zinc/16/39/20/296163920.db2.gz MXVTXEQWZQCYFG-UHFFFAOYSA-N 2 1 306.207 2.713 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000420278564 296168667 /nfs/dbraw/zinc/16/86/67/296168667.db2.gz VTSJERBCSITVSF-AWEZNQCLSA-N 2 1 316.401 2.651 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000420278564 296168668 /nfs/dbraw/zinc/16/86/68/296168668.db2.gz VTSJERBCSITVSF-AWEZNQCLSA-N 2 1 316.401 2.651 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC2(CCCCC2)C1 ZINC000420299520 296171188 /nfs/dbraw/zinc/17/11/88/296171188.db2.gz IWPADWHWTLSZGC-OALUTQOASA-N 2 1 316.489 2.964 20 0 DFADMP Fc1ccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1F ZINC000420300321 296171194 /nfs/dbraw/zinc/17/11/94/296171194.db2.gz KAKHTGMMRAUJJU-CXAGYDPISA-N 2 1 310.388 2.728 20 0 DFADMP Fc1ccc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1F ZINC000420300321 296171196 /nfs/dbraw/zinc/17/11/96/296171196.db2.gz KAKHTGMMRAUJJU-CXAGYDPISA-N 2 1 310.388 2.728 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420299308 296171212 /nfs/dbraw/zinc/17/12/12/296171212.db2.gz AQDSDOVICYSALL-CHWSQXEVSA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420299308 296171214 /nfs/dbraw/zinc/17/12/14/296171214.db2.gz AQDSDOVICYSALL-CHWSQXEVSA-N 2 1 316.401 2.779 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420298915 296171265 /nfs/dbraw/zinc/17/12/65/296171265.db2.gz AFXUBLIWMRESKG-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420298915 296171266 /nfs/dbraw/zinc/17/12/66/296171266.db2.gz AFXUBLIWMRESKG-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420297181 296170732 /nfs/dbraw/zinc/17/07/32/296170732.db2.gz FRUPGCDTFINWRE-RKVPGOIHSA-N 2 1 306.425 2.977 20 0 DFADMP COc1ccccc1C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420297427 296170926 /nfs/dbraw/zinc/17/09/26/296170926.db2.gz DITSJFGLNVVWOF-AEFFLSMTSA-N 2 1 318.461 2.676 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)n1 ZINC000420301598 296171617 /nfs/dbraw/zinc/17/16/17/296171617.db2.gz LPGCCBLHUAVMGC-HUUCEWRRSA-N 2 1 324.469 2.625 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)n1 ZINC000420301598 296171618 /nfs/dbraw/zinc/17/16/18/296171618.db2.gz LPGCCBLHUAVMGC-HUUCEWRRSA-N 2 1 324.469 2.625 20 0 DFADMP CC[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(Cl)c(Cl)c1 ZINC000420301678 296171660 /nfs/dbraw/zinc/17/16/60/296171660.db2.gz ITFOJQIZBQMMJW-UHFFFAOYSA-N 2 1 316.276 2.721 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000420302642 296171711 /nfs/dbraw/zinc/17/17/11/296171711.db2.gz WTWASRRHVCOAKV-GFCCVEGCSA-N 2 1 320.387 2.710 20 0 DFADMP CC[N@@H+](CCc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420300454 296171466 /nfs/dbraw/zinc/17/14/66/296171466.db2.gz HLOQFQWZSDPQIN-ROUUACIJSA-N 2 1 318.486 2.543 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420301733 296171603 /nfs/dbraw/zinc/17/16/03/296171603.db2.gz IYWCQAFGKGCDCD-OAHLLOKOSA-N 2 1 303.450 2.509 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@H]1C ZINC000420308052 296172780 /nfs/dbraw/zinc/17/27/80/296172780.db2.gz CISWWIGHPFFAFP-NJAFHUGGSA-N 2 1 319.493 2.542 20 0 DFADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC[C@H]2CC[NH2+]C2)cn1 ZINC000420306208 296172619 /nfs/dbraw/zinc/17/26/19/296172619.db2.gz ACMDCBQHDVHJIA-RDTXWAMCSA-N 2 1 316.424 2.580 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2ccnn2C)c1 ZINC000622005109 399164939 /nfs/dbraw/zinc/16/49/39/399164939.db2.gz YSWWPKQCQRGPJP-LPHOPBHVSA-N 2 1 310.445 2.709 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420319799 296174387 /nfs/dbraw/zinc/17/43/87/296174387.db2.gz PMXNHXQHONXVKE-IAGOWNOFSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000420319799 296174388 /nfs/dbraw/zinc/17/43/88/296174388.db2.gz PMXNHXQHONXVKE-IAGOWNOFSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000420319799 296174389 /nfs/dbraw/zinc/17/43/89/296174389.db2.gz PMXNHXQHONXVKE-IAGOWNOFSA-N 3 1 302.466 2.514 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318696 296174397 /nfs/dbraw/zinc/17/43/97/296174397.db2.gz OKELVEGNRQRVOR-RTBURBONSA-N 3 1 307.526 2.820 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420319798 296174460 /nfs/dbraw/zinc/17/44/60/296174460.db2.gz PMXNHXQHONXVKE-DLBZAZTESA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000420319798 296174462 /nfs/dbraw/zinc/17/44/62/296174462.db2.gz PMXNHXQHONXVKE-DLBZAZTESA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000420319798 296174463 /nfs/dbraw/zinc/17/44/63/296174463.db2.gz PMXNHXQHONXVKE-DLBZAZTESA-N 3 1 302.466 2.514 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420319387 296174597 /nfs/dbraw/zinc/17/45/97/296174597.db2.gz ABFNLFOBIQVIBZ-CVEARBPZSA-N 2 1 303.450 2.529 20 0 DFADMP c1ccc(COCCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321612 296174754 /nfs/dbraw/zinc/17/47/54/296174754.db2.gz DATHCDJWEDKJBK-OALUTQOASA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321046 296174785 /nfs/dbraw/zinc/17/47/85/296174785.db2.gz CFGIPHUEALFUDH-STQMWFEESA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1c(F)cccc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321046 296174787 /nfs/dbraw/zinc/17/47/87/296174787.db2.gz CFGIPHUEALFUDH-STQMWFEESA-N 2 1 310.388 2.713 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2ccnn2C)c1 ZINC000622005109 399164935 /nfs/dbraw/zinc/16/49/35/399164935.db2.gz YSWWPKQCQRGPJP-LPHOPBHVSA-N 2 1 310.445 2.709 20 0 DFADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420325111 296175165 /nfs/dbraw/zinc/17/51/65/296175165.db2.gz IBNWHUWUTVFWJZ-RRFJBIMHSA-N 2 1 306.454 2.795 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccn(C(C)C)n2)CC1 ZINC000080645770 399166049 /nfs/dbraw/zinc/16/60/49/399166049.db2.gz CBEYWWOTTBKAKV-UHFFFAOYSA-N 2 1 322.497 2.787 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C(C)C ZINC000271737022 209169387 /nfs/dbraw/zinc/16/93/87/209169387.db2.gz ZTWARSKYXMOXMY-GOSISDBHSA-N 2 1 315.417 2.950 20 0 DFADMP CC(C)[N@@H+](CCC[NH3+])C[C@@H](O)COc1cccc2ccccc21 ZINC000420327294 296175655 /nfs/dbraw/zinc/17/56/55/296175655.db2.gz YEEYDLMLZQQRGQ-QGZVFWFLSA-N 2 1 316.445 2.639 20 0 DFADMP COc1cccc(CCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420326674 296175660 /nfs/dbraw/zinc/17/56/60/296175660.db2.gz KFDZMLDJCFEREZ-ROUUACIJSA-N 2 1 302.462 2.949 20 0 DFADMP COc1cccc(CCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420326672 296175786 /nfs/dbraw/zinc/17/57/86/296175786.db2.gz KFDZMLDJCFEREZ-MSOLQXFVSA-N 2 1 302.462 2.949 20 0 DFADMP c1ccc(CCOCCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420329445 296175990 /nfs/dbraw/zinc/17/59/90/296175990.db2.gz GWICGPHZFJCFFT-KDURUIRLSA-N 2 1 302.462 2.567 20 0 DFADMP Cc1ccccc1CCC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335995 296177153 /nfs/dbraw/zinc/17/71/53/296177153.db2.gz VHZAFEIYOWYVKY-SFHVURJKSA-N 2 1 302.462 2.615 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339453 296177384 /nfs/dbraw/zinc/17/73/84/296177384.db2.gz LSKSMVVRMDVRBK-IAGOWNOFSA-N 2 1 316.445 2.590 20 0 DFADMP CCc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332709 296176731 /nfs/dbraw/zinc/17/67/31/296176731.db2.gz DROGVJRBDASVAM-MSOLQXFVSA-N 2 1 302.462 2.949 20 0 DFADMP c1cnc2sc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337752 296177041 /nfs/dbraw/zinc/17/70/41/296177041.db2.gz XAGJPXULADCIMI-CHWSQXEVSA-N 2 1 302.447 2.513 20 0 DFADMP C[N@@H+](Cc1cc(Br)cc2cccnc21)C1CC([NH3+])C1 ZINC000420344915 296178128 /nfs/dbraw/zinc/17/81/28/296178128.db2.gz YUFSSLAWGCZMFI-UHFFFAOYSA-N 2 1 320.234 2.919 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343850 296177677 /nfs/dbraw/zinc/17/76/77/296177677.db2.gz ROWFWVOIFGCKSI-IRXDYDNUSA-N 2 1 315.461 2.509 20 0 DFADMP CCn1c2cccc(F)c2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420346384 296178335 /nfs/dbraw/zinc/17/83/35/296178335.db2.gz WTAFNCGPGWJIPC-OKILXGFUSA-N 2 1 316.424 2.627 20 0 DFADMP CCCCc1noc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420346535 296178347 /nfs/dbraw/zinc/17/83/47/296178347.db2.gz YPKXPWFNMQWFPW-DZGCQCFKSA-N 2 1 306.454 2.937 20 0 DFADMP CCc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420346581 296178390 /nfs/dbraw/zinc/17/83/90/296178390.db2.gz YTYMQXKAOPOWBS-SJORKVTESA-N 2 1 315.461 2.509 20 0 DFADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420355879 296179204 /nfs/dbraw/zinc/17/92/04/296179204.db2.gz CQIIUVAVVTYLKK-QGZVFWFLSA-N 2 1 321.852 2.744 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420359472 296180013 /nfs/dbraw/zinc/18/00/13/296180013.db2.gz KRXWNODRJXKHKC-SFHVURJKSA-N 2 1 306.450 2.961 20 0 DFADMP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096640 399171917 /nfs/dbraw/zinc/17/19/17/399171917.db2.gz WCCFJGSUEMBKOG-ZBFHGGJFSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000420363498 296180292 /nfs/dbraw/zinc/18/02/92/296180292.db2.gz NXUOGJFGZJMWDT-DLBZAZTESA-N 2 1 317.477 2.533 20 0 DFADMP C[C@@H](O)C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261886936 296180575 /nfs/dbraw/zinc/18/05/75/296180575.db2.gz XBFWXKYDNYCSQH-UXLLHSPISA-N 2 1 324.896 2.953 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCN(c2ccccc2)CC1 ZINC000420372148 296182027 /nfs/dbraw/zinc/18/20/27/296182027.db2.gz LDYVCWRKFBMGHA-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)no1 ZINC000420369047 296181465 /nfs/dbraw/zinc/18/14/65/296181465.db2.gz XKINNZLUXXJCIQ-HNNXBMFYSA-N 2 1 306.454 2.762 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420372324 296181903 /nfs/dbraw/zinc/18/19/03/296181903.db2.gz FCQXDBCJFNOWHD-IRXDYDNUSA-N 2 1 317.412 2.664 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000282612727 217125646 /nfs/dbraw/zinc/12/56/46/217125646.db2.gz YZUIUYJJOJTSMZ-SFHVURJKSA-N 2 1 312.461 2.773 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1ccnc1 ZINC000282612727 217125652 /nfs/dbraw/zinc/12/56/52/217125652.db2.gz YZUIUYJJOJTSMZ-SFHVURJKSA-N 2 1 312.461 2.773 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378044 296182949 /nfs/dbraw/zinc/18/29/49/296182949.db2.gz BAQHKPBZDWOJDZ-AEFFLSMTSA-N 2 1 316.445 2.732 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420378044 296182952 /nfs/dbraw/zinc/18/29/52/296182952.db2.gz BAQHKPBZDWOJDZ-AEFFLSMTSA-N 2 1 316.445 2.732 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420377666 296183259 /nfs/dbraw/zinc/18/32/59/296183259.db2.gz PZOWJSWQOJWDQZ-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420377666 296183261 /nfs/dbraw/zinc/18/32/61/296183261.db2.gz PZOWJSWQOJWDQZ-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP Cc1cc(C)cc(C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000420381044 296183601 /nfs/dbraw/zinc/18/36/01/296183601.db2.gz XGUGRTLUEJUGCV-PMACEKPBSA-N 2 1 312.457 2.666 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342091297 284324987 /nfs/dbraw/zinc/32/49/87/284324987.db2.gz UHSXKNJZHDZXIC-FPMFFAJLSA-N 2 1 318.852 2.786 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342091297 284324992 /nfs/dbraw/zinc/32/49/92/284324992.db2.gz UHSXKNJZHDZXIC-FPMFFAJLSA-N 2 1 318.852 2.786 20 0 DFADMP C[C@H]1C[C@H](CC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@@H](C)C1 ZINC000420389767 296185063 /nfs/dbraw/zinc/18/50/63/296185063.db2.gz YSXZDCUOAZCTGM-LHHMISFZSA-N 2 1 319.497 2.836 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395053 296185812 /nfs/dbraw/zinc/18/58/12/296185812.db2.gz KQGOFKQUOAHLOW-ROUUACIJSA-N 2 1 321.509 2.537 20 0 DFADMP C(=C\c1ccncc1)\C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000486983235 299436021 /nfs/dbraw/zinc/43/60/21/299436021.db2.gz CCPBDOAHBSONDA-UPHRSURJSA-N 2 1 323.440 2.717 20 0 DFADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000618662000 399200940 /nfs/dbraw/zinc/20/09/40/399200940.db2.gz VCTSBDJPNUAJFK-IAGOWNOFSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000618661999 399200560 /nfs/dbraw/zinc/20/05/60/399200560.db2.gz VCTSBDJPNUAJFK-DLBZAZTESA-N 2 1 321.509 2.774 20 0 DFADMP CC(C[NH+](C)CC[C@H]1CCCO1)C[N@@H+](C)CC[C@H]1CCCO1 ZINC000342607937 284379322 /nfs/dbraw/zinc/37/93/22/284379322.db2.gz RXWBECQQXYLWGV-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000614342012 399214518 /nfs/dbraw/zinc/21/45/18/399214518.db2.gz MAJRJCKNAUTOPY-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP CCCCC[N@H+](CCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420916000 296211385 /nfs/dbraw/zinc/21/13/85/296211385.db2.gz NMDRPXRCAFEMNP-UHFFFAOYSA-N 2 1 320.477 2.503 20 0 DFADMP CCCCC[N@@H+](CCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420916000 296211386 /nfs/dbraw/zinc/21/13/86/296211386.db2.gz NMDRPXRCAFEMNP-UHFFFAOYSA-N 2 1 320.477 2.503 20 0 DFADMP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420916551 296211433 /nfs/dbraw/zinc/21/14/33/296211433.db2.gz OUGRJHXKRCYLBU-UHFFFAOYSA-N 2 1 320.502 2.846 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420916551 296211435 /nfs/dbraw/zinc/21/14/35/296211435.db2.gz OUGRJHXKRCYLBU-UHFFFAOYSA-N 2 1 320.502 2.846 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000420933770 296214546 /nfs/dbraw/zinc/21/45/46/296214546.db2.gz IHZCPUWUQUGPCR-IAGOWNOFSA-N 2 1 302.462 2.997 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000420933770 296214547 /nfs/dbraw/zinc/21/45/47/296214547.db2.gz IHZCPUWUQUGPCR-IAGOWNOFSA-N 2 1 302.462 2.997 20 0 DFADMP CCN1CCC([N@@H+]2CCCN([C@H](C)c3ncc(C)o3)CC2)CC1 ZINC000420974450 296219688 /nfs/dbraw/zinc/21/96/88/296219688.db2.gz DSWFEGFBWMUVDK-MRXNPFEDSA-N 2 1 320.481 2.536 20 0 DFADMP CCN1CCC([N@H+]2CCCN([C@H](C)c3ncc(C)o3)CC2)CC1 ZINC000420974450 296219690 /nfs/dbraw/zinc/21/96/90/296219690.db2.gz DSWFEGFBWMUVDK-MRXNPFEDSA-N 2 1 320.481 2.536 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000098144102 193790245 /nfs/dbraw/zinc/79/02/45/193790245.db2.gz NYMHQTBGORYEAH-SJLPKXTDSA-N 2 1 320.477 2.829 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000614779657 399267597 /nfs/dbraw/zinc/26/75/97/399267597.db2.gz AEGFPVPTIHHDAC-STQMWFEESA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000614779657 399267601 /nfs/dbraw/zinc/26/76/01/399267601.db2.gz AEGFPVPTIHHDAC-STQMWFEESA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325645 399277921 /nfs/dbraw/zinc/27/79/21/399277921.db2.gz DYHMFIOHYDSXRY-NEPJUHHUSA-N 2 1 318.442 2.715 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000601325645 399277924 /nfs/dbraw/zinc/27/79/24/399277924.db2.gz DYHMFIOHYDSXRY-NEPJUHHUSA-N 2 1 318.442 2.715 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601327702 399278292 /nfs/dbraw/zinc/27/82/92/399278292.db2.gz ZEFKICCBORPBGN-STQMWFEESA-N 2 1 316.401 2.636 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000601327702 399278295 /nfs/dbraw/zinc/27/82/95/399278295.db2.gz ZEFKICCBORPBGN-STQMWFEESA-N 2 1 316.401 2.636 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)o1 ZINC000609260103 399310758 /nfs/dbraw/zinc/31/07/58/399310758.db2.gz AJNASNKRRBNPSQ-GXTWGEPZSA-N 2 1 317.389 2.969 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)o1 ZINC000609260103 399310762 /nfs/dbraw/zinc/31/07/62/399310762.db2.gz AJNASNKRRBNPSQ-GXTWGEPZSA-N 2 1 317.389 2.969 20 0 DFADMP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609317323 399313366 /nfs/dbraw/zinc/31/33/66/399313366.db2.gz UPXNHOKGPUYGHD-CVEARBPZSA-N 2 1 319.449 2.856 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000623086441 399324086 /nfs/dbraw/zinc/32/40/86/399324086.db2.gz RJPXTXCJAXAULX-UHFFFAOYSA-N 2 1 300.793 2.954 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000360958984 284684217 /nfs/dbraw/zinc/68/42/17/284684217.db2.gz URBRXEJCBAHKOK-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)N1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000609799081 399331961 /nfs/dbraw/zinc/33/19/61/399331961.db2.gz IZUCCAAQCBGDRF-IAGOWNOFSA-N 2 1 313.401 2.743 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2ccncc2Cl)CC1 ZINC000421819966 296276986 /nfs/dbraw/zinc/27/69/86/296276986.db2.gz JYTRUVIQGFFQKY-OAHLLOKOSA-N 2 1 324.900 2.803 20 0 DFADMP C[NH+](C)C1CCC2(CC1)CCN(C(=O)[C@H]1CCCC[N@H+]1C)CC2 ZINC000615446071 399337981 /nfs/dbraw/zinc/33/79/81/399337981.db2.gz ZBTFNKWAOJQFJP-QGZVFWFLSA-N 2 1 321.509 2.584 20 0 DFADMP C[N@@H+](CCCCO)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726758 194031729 /nfs/dbraw/zinc/03/17/29/194031729.db2.gz ZIWNHONXHMHNSY-UHFFFAOYSA-N 2 1 304.478 2.993 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000610250328 399350945 /nfs/dbraw/zinc/35/09/45/399350945.db2.gz SJJZDCVILCPNDS-QKWWCAPFSA-N 2 1 313.489 2.800 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335821 399364635 /nfs/dbraw/zinc/36/46/35/399364635.db2.gz GLTLEEACZNAIRF-MSOLQXFVSA-N 2 1 303.494 2.622 20 0 DFADMP COc1cccc([C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)c1 ZINC000623335880 399364795 /nfs/dbraw/zinc/36/47/95/399364795.db2.gz JUWMJCOSLPKFGR-SJLPKXTDSA-N 2 1 319.493 2.760 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000623340511 399366353 /nfs/dbraw/zinc/36/63/53/399366353.db2.gz LJCAIAHVBDXVAO-GDBMZVCRSA-N 2 1 313.449 2.791 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC1CC1 ZINC000623344932 399367464 /nfs/dbraw/zinc/36/74/64/399367464.db2.gz JMHVFDDKRFPYBQ-UHFFFAOYSA-N 2 1 316.445 2.953 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1(C)C ZINC000623388276 399377968 /nfs/dbraw/zinc/37/79/68/399377968.db2.gz CTIXHHTYWPQWMY-LSDHHAIUSA-N 2 1 318.509 2.958 20 0 DFADMP CC(C)[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nnc2ccccn21 ZINC000623395495 399379134 /nfs/dbraw/zinc/37/91/34/399379134.db2.gz NTSWJQUCLOLPHU-ZBFHGGJFSA-N 2 1 315.465 2.889 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623400619 399380688 /nfs/dbraw/zinc/38/06/88/399380688.db2.gz ABUOTHIYEFNOMW-KRWDZBQOSA-N 2 1 303.450 2.650 20 0 DFADMP COC[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)OC ZINC000285148845 218309885 /nfs/dbraw/zinc/30/98/85/218309885.db2.gz MCHLOGNBHMTTOD-CTWPCTMYSA-N 2 1 320.477 2.681 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000602023012 399386141 /nfs/dbraw/zinc/38/61/41/399386141.db2.gz VRRKGGXYWOBMOQ-XJKSGUPXSA-N 2 1 316.401 2.677 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623425989 399386657 /nfs/dbraw/zinc/38/66/57/399386657.db2.gz XFZKMCKUILXBLB-HNNXBMFYSA-N 3 1 314.477 2.968 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623425989 399386661 /nfs/dbraw/zinc/38/66/61/399386661.db2.gz XFZKMCKUILXBLB-HNNXBMFYSA-N 3 1 314.477 2.968 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623433534 399388756 /nfs/dbraw/zinc/38/87/56/399388756.db2.gz NWVDYTFPYHNPQE-CABCVRRESA-N 2 1 306.450 2.925 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623432834 399388803 /nfs/dbraw/zinc/38/88/03/399388803.db2.gz LTFDXXHOHJRENE-HUUCEWRRSA-N 2 1 306.450 2.925 20 0 DFADMP COc1ccc(O[C@@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623432833 399389039 /nfs/dbraw/zinc/38/90/39/399389039.db2.gz LTFDXXHOHJRENE-GJZGRUSLSA-N 2 1 306.450 2.925 20 0 DFADMP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623435370 399389067 /nfs/dbraw/zinc/38/90/67/399389067.db2.gz BOQUEYVMPSMEDI-ZACQAIPSSA-N 2 1 323.525 2.732 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445944 399391888 /nfs/dbraw/zinc/39/18/88/399391888.db2.gz LADOBIVKJOTLOG-KGLIPLIRSA-N 2 1 322.884 2.776 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCc2ccc3c(c2)OCCO3)CC1(C)C ZINC000623446907 399392984 /nfs/dbraw/zinc/39/29/84/399392984.db2.gz WDXMXGBFMCSUAK-INIZCTEOSA-N 2 1 318.461 2.853 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000268843193 207008950 /nfs/dbraw/zinc/00/89/50/207008950.db2.gz IJSRVEJAKMDRSK-YEJXKQKISA-N 2 1 305.447 2.670 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262319117 296312859 /nfs/dbraw/zinc/31/28/59/296312859.db2.gz VHFLKDWRXQEACZ-OWSLCNJRSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3c2OCCCO3)C[C@@H]1C[NH3+] ZINC000422561482 296312621 /nfs/dbraw/zinc/31/26/21/296312621.db2.gz LKCTUYKAZJUYGN-YCPHGPKFSA-N 2 1 304.434 2.653 20 0 DFADMP CN1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623482533 399398841 /nfs/dbraw/zinc/39/88/41/399398841.db2.gz YMVFFLPEAQUXQT-KRWDZBQOSA-N 2 1 316.493 2.760 20 0 DFADMP CCCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268879645 207048168 /nfs/dbraw/zinc/04/81/68/207048168.db2.gz XJSLDZPYRRCMAX-RDJZCZTQSA-N 2 1 306.450 2.583 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000268874520 207044008 /nfs/dbraw/zinc/04/40/08/207044008.db2.gz QEOOMHFYJCLAPF-AWEZNQCLSA-N 2 1 315.417 2.921 20 0 DFADMP CC[C@@H](C)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268898907 207066157 /nfs/dbraw/zinc/06/61/57/207066157.db2.gz PTCLDOCDDBJKMZ-BEFAXECRSA-N 2 1 322.468 2.829 20 0 DFADMP CC[C@H](C)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268898910 207066169 /nfs/dbraw/zinc/06/61/69/207066169.db2.gz PTCLDOCDDBJKMZ-KXBFYZLASA-N 2 1 322.468 2.829 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000422640726 296317547 /nfs/dbraw/zinc/31/75/47/296317547.db2.gz VYFOFEABDOABET-IIAWOOMASA-N 2 1 314.433 2.584 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000268924440 207091201 /nfs/dbraw/zinc/09/12/01/207091201.db2.gz PKOLQHYFQUDPNI-ZFWWWQNUSA-N 2 1 312.404 2.852 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623505800 399404107 /nfs/dbraw/zinc/40/41/07/399404107.db2.gz QOOCDIUFIBMSCC-HZPDHXFCSA-N 2 1 304.482 2.784 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511073 399405011 /nfs/dbraw/zinc/40/50/11/399405011.db2.gz YZUYLXQFQJOIPC-OALUTQOASA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511073 399405013 /nfs/dbraw/zinc/40/50/13/399405013.db2.gz YZUYLXQFQJOIPC-OALUTQOASA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511073 399405016 /nfs/dbraw/zinc/40/50/16/399405016.db2.gz YZUYLXQFQJOIPC-OALUTQOASA-N 3 1 315.505 2.971 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511073 399405022 /nfs/dbraw/zinc/40/50/22/399405022.db2.gz YZUYLXQFQJOIPC-OALUTQOASA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511073 399405024 /nfs/dbraw/zinc/40/50/24/399405024.db2.gz YZUYLXQFQJOIPC-OALUTQOASA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511073 399405027 /nfs/dbraw/zinc/40/50/27/399405027.db2.gz YZUYLXQFQJOIPC-OALUTQOASA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422708637 296319350 /nfs/dbraw/zinc/31/93/50/296319350.db2.gz CCMGJKVZFVYIRI-TXPKVOOTSA-N 2 1 301.478 2.553 20 0 DFADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000056522980 184015095 /nfs/dbraw/zinc/01/50/95/184015095.db2.gz GJWJHDGKHSODLF-UHFFFAOYSA-N 2 1 314.433 2.900 20 0 DFADMP O=C(Nc1cccc(C[NH2+]C2CC[NH2+]CC2)c1)C1CCCC1 ZINC000422718649 296320951 /nfs/dbraw/zinc/32/09/51/296320951.db2.gz XEDPPDXRJLPWTF-UHFFFAOYSA-N 2 1 301.434 2.657 20 0 DFADMP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724107 296321713 /nfs/dbraw/zinc/32/17/13/296321713.db2.gz ULLVTVUZDQNKPM-KDOFPFPSSA-N 2 1 305.441 2.520 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)N1CCc2ccccc2C1 ZINC000422721861 296321830 /nfs/dbraw/zinc/32/18/30/296321830.db2.gz WFBMQIPPPOAGIJ-GJZGRUSLSA-N 2 1 310.445 2.592 20 0 DFADMP Cc1ccc(C[C@@H](CO)[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623545045 399412954 /nfs/dbraw/zinc/41/29/54/399412954.db2.gz YMHCTCPEYZTJDK-ROUUACIJSA-N 2 1 304.478 2.669 20 0 DFADMP Cn1cc(C[C@H]2CCC[C@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623570428 399419049 /nfs/dbraw/zinc/41/90/49/399419049.db2.gz RIKBQWKWHYCDGE-IXDOHACOSA-N 2 1 304.482 2.594 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422726813 296322597 /nfs/dbraw/zinc/32/25/97/296322597.db2.gz GACFKIJJESCHMC-QFBILLFUSA-N 2 1 301.478 2.629 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575126 399419592 /nfs/dbraw/zinc/41/95/92/399419592.db2.gz LWIMYICMMWPZKO-QZTJIDSGSA-N 2 1 301.478 2.723 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422731868 296323033 /nfs/dbraw/zinc/32/30/33/296323033.db2.gz OEMOXWVJZMBKIY-RHSMWYFYSA-N 2 1 304.482 2.764 20 0 DFADMP CC[C@@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422731868 296323034 /nfs/dbraw/zinc/32/30/34/296323034.db2.gz OEMOXWVJZMBKIY-RHSMWYFYSA-N 2 1 304.482 2.764 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C12CCOCC2 ZINC000346540750 284887875 /nfs/dbraw/zinc/88/78/75/284887875.db2.gz ZPATUXAXGGIFLB-SJORKVTESA-N 2 1 324.509 2.815 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc(OC)c1OC ZINC000623654592 399435709 /nfs/dbraw/zinc/43/57/09/399435709.db2.gz DATJYWSJRJEDOL-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc(OC)c1OC ZINC000623654592 399435711 /nfs/dbraw/zinc/43/57/11/399435711.db2.gz DATJYWSJRJEDOL-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654799 399435740 /nfs/dbraw/zinc/43/57/40/399435740.db2.gz JKQDXTSJSNZZDY-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)o1 ZINC000623656491 399436312 /nfs/dbraw/zinc/43/63/12/399436312.db2.gz VJHOMVYLUFPAPX-AWEZNQCLSA-N 2 1 302.422 2.800 20 0 DFADMP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000269041571 207191595 /nfs/dbraw/zinc/19/15/95/207191595.db2.gz XCHBIMMPHRDNNH-WGSAOQKQSA-N 2 1 316.489 2.834 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000623657679 399437807 /nfs/dbraw/zinc/43/78/07/399437807.db2.gz WMCOLNUQDKFWIH-ZDUSSCGKSA-N 2 1 304.463 2.960 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000269054751 207203452 /nfs/dbraw/zinc/20/34/52/207203452.db2.gz WKVPEMWPEBAHNG-MJGOQNOKSA-N 3 1 303.494 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000269054751 207203456 /nfs/dbraw/zinc/20/34/56/207203456.db2.gz WKVPEMWPEBAHNG-MJGOQNOKSA-N 3 1 303.494 2.971 20 0 DFADMP C[C@@H](O)C[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000269067516 207215036 /nfs/dbraw/zinc/21/50/36/207215036.db2.gz WCJGTJGHHXVAFP-HZPDHXFCSA-N 2 1 322.468 2.829 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195098 184277863 /nfs/dbraw/zinc/27/78/63/184277863.db2.gz UKTMCXNVQXKGPP-IUODEOHRSA-N 2 1 309.841 2.870 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195098 184277865 /nfs/dbraw/zinc/27/78/65/184277865.db2.gz UKTMCXNVQXKGPP-IUODEOHRSA-N 2 1 309.841 2.870 20 0 DFADMP CC[C@H](C(=O)N1CCCC[C@@H]1[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422735827 296323717 /nfs/dbraw/zinc/32/37/17/296323717.db2.gz WTUBLPXVMAETLR-CGTJXYLNSA-N 2 1 317.477 2.625 20 0 DFADMP COc1ccccc1[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000422748638 296325499 /nfs/dbraw/zinc/32/54/99/296325499.db2.gz VMAIWVSRSYHCTR-FUHWJXTLSA-N 2 1 317.477 2.564 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1c(F)cccc1F)N(C)C)c1c[nH+]ccc1N ZINC000422745617 296325329 /nfs/dbraw/zinc/32/53/29/296325329.db2.gz MOTIONFMMSJOKG-BZNIZROVSA-N 2 1 320.387 2.726 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422752836 296326805 /nfs/dbraw/zinc/32/68/05/296326805.db2.gz HOBWDCXFDDAGSC-ZDUSSCGKSA-N 2 1 309.417 2.893 20 0 DFADMP COc1ccccc1[C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422749004 296326238 /nfs/dbraw/zinc/32/62/38/296326238.db2.gz WZUOCZKPQBWKPK-INMHGKMJSA-N 2 1 305.466 2.548 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422760391 296328580 /nfs/dbraw/zinc/32/85/80/296328580.db2.gz LACKDQYUBGXNAC-AWEZNQCLSA-N 2 1 321.428 2.885 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCCO1 ZINC000623852754 399479429 /nfs/dbraw/zinc/47/94/29/399479429.db2.gz ADQCNHRSWLXNJQ-APWZRJJASA-N 2 1 318.461 2.566 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422765216 296329292 /nfs/dbraw/zinc/32/92/92/296329292.db2.gz QPVIBZJZOCWMKP-HYVNUMGLSA-N 2 1 305.441 2.833 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766081 296329494 /nfs/dbraw/zinc/32/94/94/296329494.db2.gz RLJQMOBAPVHKGW-LZQZEXGQSA-N 2 1 317.477 2.784 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000422766428 296329652 /nfs/dbraw/zinc/32/96/52/296329652.db2.gz XIBFMHZTKUELOR-YOEHRIQHSA-N 2 1 312.413 2.506 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+]1CCCC[C@@H]1C ZINC000422772677 296330575 /nfs/dbraw/zinc/33/05/75/296330575.db2.gz SRWDMIGSGCRTIV-JENIJYKNSA-N 2 1 303.494 2.799 20 0 DFADMP CC[N@H+]1CCC[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623884263 399487286 /nfs/dbraw/zinc/48/72/86/399487286.db2.gz WIDOZDDPGBJTGE-KRWDZBQOSA-N 2 1 323.444 2.893 20 0 DFADMP CCOC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602629746 399496692 /nfs/dbraw/zinc/49/66/92/399496692.db2.gz JFZOUASKDOWEMU-KVSKMBFKSA-N 2 1 318.461 2.580 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422793708 296334139 /nfs/dbraw/zinc/33/41/39/296334139.db2.gz SOCRXLGSXWWNAK-OLZOCXBDSA-N 2 1 301.390 2.621 20 0 DFADMP CN(c1nc2ccccc2n2cncc12)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000623963263 399504618 /nfs/dbraw/zinc/50/46/18/399504618.db2.gz BXLANCDOZNGMJQ-CQSZACIVSA-N 2 1 307.401 2.555 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422809291 296337066 /nfs/dbraw/zinc/33/70/66/296337066.db2.gz LXCCHZFKCUVNHN-YESZJQIVSA-N 3 1 319.493 2.513 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422809291 296337067 /nfs/dbraw/zinc/33/70/67/296337067.db2.gz LXCCHZFKCUVNHN-YESZJQIVSA-N 2 1 319.493 2.513 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000422806982 296336717 /nfs/dbraw/zinc/33/67/17/296336717.db2.gz LLVYTKSFPQWNSU-MAUKXSAKSA-N 2 1 317.477 2.789 20 0 DFADMP CC[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422812578 296337743 /nfs/dbraw/zinc/33/77/43/296337743.db2.gz WOVUDKOBNYWXLM-MISYRCLQSA-N 2 1 315.505 2.930 20 0 DFADMP CC[C@H](CN[C@@H]1CCCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422812578 296337744 /nfs/dbraw/zinc/33/77/44/296337744.db2.gz WOVUDKOBNYWXLM-MISYRCLQSA-N 2 1 315.505 2.930 20 0 DFADMP CC[C@H](C(=O)NC(CC)(CC)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422815800 296338282 /nfs/dbraw/zinc/33/82/82/296338282.db2.gz CLRAWPIFFOAUDI-MRXNPFEDSA-N 2 1 305.466 2.531 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)cc1F ZINC000422819779 296339106 /nfs/dbraw/zinc/33/91/06/296339106.db2.gz OBNZWMXSUWPBDL-DYVFJYSZSA-N 2 1 320.383 2.892 20 0 DFADMP C[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1C[NH3+] ZINC000631842676 399506816 /nfs/dbraw/zinc/50/68/16/399506816.db2.gz DMKNOOZAPMWAJU-AAEUAGOBSA-N 2 1 310.825 2.528 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1C[NH3+] ZINC000631842676 399506821 /nfs/dbraw/zinc/50/68/21/399506821.db2.gz DMKNOOZAPMWAJU-AAEUAGOBSA-N 2 1 310.825 2.528 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422823527 296339557 /nfs/dbraw/zinc/33/95/57/296339557.db2.gz DNPBGNGMQUBMDV-AAEUAGOBSA-N 2 1 317.355 2.500 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000422820847 296339357 /nfs/dbraw/zinc/33/93/57/296339357.db2.gz SOHOKRNVBPAMNH-HZPDHXFCSA-N 2 1 309.498 2.678 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422839125 296342392 /nfs/dbraw/zinc/34/23/92/296342392.db2.gz ZGVAHSBXFRLPFX-HOTGVXAUSA-N 2 1 300.450 2.731 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422838488 296342434 /nfs/dbraw/zinc/34/24/34/296342434.db2.gz OOEIENZBVRLBGB-PMRDEQMMSA-N 2 1 319.518 2.833 20 0 DFADMP c1csc(CN2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422838488 296342435 /nfs/dbraw/zinc/34/24/35/296342435.db2.gz OOEIENZBVRLBGB-PMRDEQMMSA-N 2 1 319.518 2.833 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1)C1C[NH2+]C1 ZINC000422843531 296343422 /nfs/dbraw/zinc/34/34/22/296343422.db2.gz IQGZCDOHRDZMIY-GUYCJALGSA-N 2 1 307.869 2.674 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422841296 296342855 /nfs/dbraw/zinc/34/28/55/296342855.db2.gz VOKLGYNWZWRPFU-HLLBOEOZSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422842443 296343156 /nfs/dbraw/zinc/34/31/56/296343156.db2.gz FWQRRGWATKMODO-XLIONFOSSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000422842443 296343157 /nfs/dbraw/zinc/34/31/57/296343157.db2.gz FWQRRGWATKMODO-XLIONFOSSA-N 3 1 315.505 2.671 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422848917 296344201 /nfs/dbraw/zinc/34/42/01/296344201.db2.gz BINRBCZRYFVJOE-MAZHCROVSA-N 2 1 309.404 2.664 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422848916 296344290 /nfs/dbraw/zinc/34/42/90/296344290.db2.gz BINRBCZRYFVJOE-KCXAZCMYSA-N 2 1 309.404 2.664 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000347069982 285011572 /nfs/dbraw/zinc/01/15/72/285011572.db2.gz PCBJRQWMEZNUDL-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000347069982 285011573 /nfs/dbraw/zinc/01/15/73/285011573.db2.gz PCBJRQWMEZNUDL-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP Brc1cncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252836666 532977407 /nfs/dbraw/zinc/97/74/07/532977407.db2.gz XHGSIZVPFWPRJQ-KBPBESRZSA-N 2 1 310.239 2.561 20 0 DFADMP Brc1cncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252836666 532977417 /nfs/dbraw/zinc/97/74/17/532977417.db2.gz XHGSIZVPFWPRJQ-KBPBESRZSA-N 2 1 310.239 2.561 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422865196 296346652 /nfs/dbraw/zinc/34/66/52/296346652.db2.gz OKIIGJQCMCWBJX-JWTNVVGKSA-N 2 1 318.461 2.783 20 0 DFADMP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000422867042 296347024 /nfs/dbraw/zinc/34/70/24/296347024.db2.gz RMCZKUHTADMORI-PBHICJAKSA-N 3 1 316.449 2.585 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422858783 296345876 /nfs/dbraw/zinc/34/58/76/296345876.db2.gz JGDMZILVDLPLCN-OALUTQOASA-N 2 1 312.413 2.946 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC[C@@H]2CCCO2)c1 ZINC000422873130 296348265 /nfs/dbraw/zinc/34/82/65/296348265.db2.gz KCVFSSDYJDEEDJ-MSOLQXFVSA-N 2 1 318.461 2.785 20 0 DFADMP C[C@H](CN[C@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422870836 296347756 /nfs/dbraw/zinc/34/77/56/296347756.db2.gz ZHUYIRWASDKCLQ-VXIBKDFQSA-N 2 1 303.494 2.655 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000422879078 296349347 /nfs/dbraw/zinc/34/93/47/296349347.db2.gz UKSLUBAWWFUYLX-BPUTZDHNSA-N 2 1 322.884 2.824 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000422881157 296349888 /nfs/dbraw/zinc/34/98/88/296349888.db2.gz PQAPLZVNNJJCHR-UAGQMJEPSA-N 2 1 305.466 2.703 20 0 DFADMP Cc1ccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)C2)cc1 ZINC000119694954 195019540 /nfs/dbraw/zinc/01/95/40/195019540.db2.gz SCIKUJGFNQJJLR-LSTDLKDCSA-N 2 1 301.478 2.892 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119666164 195013510 /nfs/dbraw/zinc/01/35/10/195013510.db2.gz PKCWJJSKAXDHBZ-OAHLLOKOSA-N 2 1 318.461 2.989 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCC[NH3+])cc1F ZINC000422899891 296352784 /nfs/dbraw/zinc/35/27/84/296352784.db2.gz IJBVCQNIRJRAGG-ZDUSSCGKSA-N 3 1 304.413 2.927 20 0 DFADMP Clc1cccc(C[N@@H+]2CCCC[C@@H]2CN[C@@H]2CC[NH2+]C2)c1 ZINC000422900260 296352890 /nfs/dbraw/zinc/35/28/90/296352890.db2.gz AESOQYCKJQZCIE-IAGOWNOFSA-N 2 1 307.869 2.646 20 0 DFADMP Clc1cccc(C[N@H+]2CCCC[C@@H]2CN[C@@H]2CC[NH2+]C2)c1 ZINC000422900260 296352891 /nfs/dbraw/zinc/35/28/91/296352891.db2.gz AESOQYCKJQZCIE-IAGOWNOFSA-N 2 1 307.869 2.646 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422902124 296353186 /nfs/dbraw/zinc/35/31/86/296353186.db2.gz TUBHYUJKQBRBQN-DLBZAZTESA-N 2 1 301.478 2.547 20 0 DFADMP COc1cccc(Oc2ccc(C[NH2+]C3CC[NH2+]CC3)cn2)c1 ZINC000422894758 296351846 /nfs/dbraw/zinc/35/18/46/296351846.db2.gz DDWVPEMZINETRO-UHFFFAOYSA-N 2 1 313.401 2.724 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422906060 296354139 /nfs/dbraw/zinc/35/41/39/296354139.db2.gz UCGPYQUICOULPE-CVEARBPZSA-N 2 1 301.365 2.982 20 0 DFADMP Cc1[nH+]ccn1CCN(CC[NH+]1CCCCCC1)C1CCC1 ZINC000347485938 285056341 /nfs/dbraw/zinc/05/63/41/285056341.db2.gz XSZPHNDXNJFVIT-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@H]1CCC[NH2+]1 ZINC000422933685 296357180 /nfs/dbraw/zinc/35/71/80/296357180.db2.gz IDQBYJJRKNWBRD-QMTHXVAHSA-N 2 1 315.230 2.861 20 0 DFADMP C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422933683 296357252 /nfs/dbraw/zinc/35/72/52/296357252.db2.gz IDQBYJJRKNWBRD-HZMBPMFUSA-N 2 1 315.230 2.861 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931727 296357341 /nfs/dbraw/zinc/35/73/41/296357341.db2.gz CQZBBYACYFVFCG-HZMBPMFUSA-N 2 1 315.230 2.718 20 0 DFADMP C[C@H]1C[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)CC[N@H+]1C ZINC000623995054 399517641 /nfs/dbraw/zinc/51/76/41/399517641.db2.gz LXYQSAKYIJALKF-YOEHRIQHSA-N 2 1 323.444 2.891 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000422940115 296358156 /nfs/dbraw/zinc/35/81/56/296358156.db2.gz IRMSHBJWSSYCPM-BRWVUGGUSA-N 2 1 319.493 2.513 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1cccc(Cl)c1 ZINC000631886685 399518572 /nfs/dbraw/zinc/51/85/72/399518572.db2.gz JIIUONDJCDYMND-XJKSGUPXSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1cccc(Cl)c1 ZINC000631886685 399518576 /nfs/dbraw/zinc/51/85/76/399518576.db2.gz JIIUONDJCDYMND-XJKSGUPXSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942523 296358525 /nfs/dbraw/zinc/35/85/25/296358525.db2.gz KPHIHPOFWAVPPC-DOMZBBRYSA-N 2 1 309.841 2.646 20 0 DFADMP COc1cccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)c1 ZINC000269955436 208006145 /nfs/dbraw/zinc/00/61/45/208006145.db2.gz KGWGIWLZBMHTIG-LNLFQRSKSA-N 2 1 317.477 2.514 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)c1 ZINC000269955436 208006150 /nfs/dbraw/zinc/00/61/50/208006150.db2.gz KGWGIWLZBMHTIG-LNLFQRSKSA-N 2 1 317.477 2.514 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)c1 ZINC000269955436 208006153 /nfs/dbraw/zinc/00/61/53/208006153.db2.gz KGWGIWLZBMHTIG-LNLFQRSKSA-N 2 1 317.477 2.514 20 0 DFADMP C[N@@H+](CCCN[C@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000269989979 208041574 /nfs/dbraw/zinc/04/15/74/208041574.db2.gz UNXVRGYAUKRFQB-OALUTQOASA-N 2 1 301.478 2.725 20 0 DFADMP C[NH+](CCCN[C@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000269989979 208041578 /nfs/dbraw/zinc/04/15/78/208041578.db2.gz UNXVRGYAUKRFQB-OALUTQOASA-N 2 1 301.478 2.725 20 0 DFADMP C[NH+](CCCN[C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000269989979 208041587 /nfs/dbraw/zinc/04/15/87/208041587.db2.gz UNXVRGYAUKRFQB-OALUTQOASA-N 2 1 301.478 2.725 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422953335 296360291 /nfs/dbraw/zinc/36/02/91/296360291.db2.gz FHJLFCLLXNCMRV-BZZMCLGOSA-N 3 1 304.482 2.728 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422961383 296361465 /nfs/dbraw/zinc/36/14/65/296361465.db2.gz BOKCQSHILKPVPB-LPHOPBHVSA-N 2 1 312.461 2.843 20 0 DFADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422963215 296361692 /nfs/dbraw/zinc/36/16/92/296361692.db2.gz HZQNWIRKAVQQRE-IXDOHACOSA-N 2 1 303.450 2.881 20 0 DFADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422957749 296361149 /nfs/dbraw/zinc/36/11/49/296361149.db2.gz NVOAQOAJIPXKNM-MSOLQXFVSA-N 2 1 317.477 2.718 20 0 DFADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969295 296363135 /nfs/dbraw/zinc/36/31/35/296363135.db2.gz ZOLSICKVHBKRRQ-PKOBYXMFSA-N 2 1 317.477 2.562 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969295 296363137 /nfs/dbraw/zinc/36/31/37/296363137.db2.gz ZOLSICKVHBKRRQ-PKOBYXMFSA-N 3 1 317.477 2.562 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969295 296363138 /nfs/dbraw/zinc/36/31/38/296363138.db2.gz ZOLSICKVHBKRRQ-PKOBYXMFSA-N 3 1 317.477 2.562 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(C)n2)CC1 ZINC000347567468 285080792 /nfs/dbraw/zinc/08/07/92/285080792.db2.gz NCTQLMJAMBVNMR-UHFFFAOYSA-N 2 1 319.493 2.960 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422996012 296365191 /nfs/dbraw/zinc/36/51/91/296365191.db2.gz RZMMYVUFMGLXCC-RGCFKVTRSA-N 2 1 318.461 2.893 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423000695 296366006 /nfs/dbraw/zinc/36/60/06/296366006.db2.gz HEEGOWNBAPYADQ-ROUUACIJSA-N 2 1 306.450 2.852 20 0 DFADMP CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422998629 296365425 /nfs/dbraw/zinc/36/54/25/296365425.db2.gz WMPFOMFSXICFHM-ROUUACIJSA-N 2 1 306.450 2.722 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(c3nc4ccccc4n4cncc34)CC[C@H]21 ZINC000624041028 399533347 /nfs/dbraw/zinc/53/33/47/399533347.db2.gz HBSPNUSXHJSTAW-GOEBONIOSA-N 2 1 321.428 2.803 20 0 DFADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422997693 296365522 /nfs/dbraw/zinc/36/55/22/296365522.db2.gz VKBDKSBXNLZXLF-ZWKOTPCHSA-N 2 1 302.466 2.548 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423009713 296367042 /nfs/dbraw/zinc/36/70/42/296367042.db2.gz DMKCNYRJLJGPDE-OSMBCOQSSA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423009713 296367043 /nfs/dbraw/zinc/36/70/43/296367043.db2.gz DMKCNYRJLJGPDE-OSMBCOQSSA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423008843 296367088 /nfs/dbraw/zinc/36/70/88/296367088.db2.gz BHARQHPDACSEDI-KBPBESRZSA-N 2 1 314.408 2.953 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@@H]1[NH3+] ZINC000423009390 296367100 /nfs/dbraw/zinc/36/71/00/296367100.db2.gz VLIDSSYPPVABKL-RBUKOAKNSA-N 2 1 313.445 2.881 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000423006774 296366700 /nfs/dbraw/zinc/36/67/00/296366700.db2.gz WIDPQDBNBPTAFX-PIKOESSRSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1nc(-c2ccccc2)no1 ZINC000423017389 296367994 /nfs/dbraw/zinc/36/79/94/296367994.db2.gz WGGLLZPTTXGKEY-STQMWFEESA-N 2 1 323.400 2.998 20 0 DFADMP c1ccc([C@H]2C[C@@H]([NH2+]CCc3cnc(C4CC4)nc3)CC[NH2+]2)cc1 ZINC000423015288 296368087 /nfs/dbraw/zinc/36/80/87/296368087.db2.gz QQXGKYVBNQUXNL-RBUKOAKNSA-N 2 1 322.456 2.979 20 0 DFADMP CCO[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000625384379 399539978 /nfs/dbraw/zinc/53/99/78/399539978.db2.gz MLOSUCPHDAVCMK-HSALFYBXSA-N 2 1 314.473 2.865 20 0 DFADMP CCO[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000625384379 399539981 /nfs/dbraw/zinc/53/99/81/399539981.db2.gz MLOSUCPHDAVCMK-HSALFYBXSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423018339 296368475 /nfs/dbraw/zinc/36/84/75/296368475.db2.gz YOYLKJLXUOWGTK-BFYDXBDKSA-N 2 1 305.441 2.915 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423018341 296368672 /nfs/dbraw/zinc/36/86/72/296368672.db2.gz YOYLKJLXUOWGTK-INMHGKMJSA-N 2 1 305.441 2.915 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H](CCO)c1ccccc1Br ZINC000423029030 296369723 /nfs/dbraw/zinc/36/97/23/296369723.db2.gz HLGWLYBSXYXNMR-MJVIPROJSA-N 2 1 315.255 2.588 20 0 DFADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCO1 ZINC000423039937 296370661 /nfs/dbraw/zinc/37/06/61/296370661.db2.gz GFTYUCKDBGBCGG-NNIGNNQHSA-N 2 1 324.509 2.717 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423042884 296371425 /nfs/dbraw/zinc/37/14/25/296371425.db2.gz MNLNRPBCRURTDO-MKBNYLNASA-N 2 1 311.832 2.788 20 0 DFADMP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423049469 296372002 /nfs/dbraw/zinc/37/20/02/296372002.db2.gz XRYILYJTMLCWTA-CAMMJAKZSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423051071 296372450 /nfs/dbraw/zinc/37/24/50/296372450.db2.gz ZTLDLFOZVFRSIC-CUDHKJQZSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423051071 296372451 /nfs/dbraw/zinc/37/24/51/296372451.db2.gz ZTLDLFOZVFRSIC-CUDHKJQZSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423051071 296372453 /nfs/dbraw/zinc/37/24/53/296372453.db2.gz ZTLDLFOZVFRSIC-CUDHKJQZSA-N 2 1 315.505 2.875 20 0 DFADMP CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000423061055 296373576 /nfs/dbraw/zinc/37/35/76/296373576.db2.gz PXLDQWLPCPLNGA-KZNAEPCWSA-N 2 1 320.502 2.796 20 0 DFADMP CC[N@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)CCC(F)(F)F ZINC000423079251 296376100 /nfs/dbraw/zinc/37/61/00/296376100.db2.gz QHSXTYKVYXSMBT-LSDHHAIUSA-N 2 1 315.383 2.995 20 0 DFADMP CC[N@@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)CCC(F)(F)F ZINC000423079251 296376101 /nfs/dbraw/zinc/37/61/01/296376101.db2.gz QHSXTYKVYXSMBT-LSDHHAIUSA-N 2 1 315.383 2.995 20 0 DFADMP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423079989 296376009 /nfs/dbraw/zinc/37/60/09/296376009.db2.gz ZBGHEZQDXRRMJE-QRVBRYPASA-N 2 1 317.477 2.755 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423088744 296377107 /nfs/dbraw/zinc/37/71/07/296377107.db2.gz SOLVLXHHACFRNJ-VYESFELBSA-N 2 1 319.415 2.509 20 0 DFADMP CC[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090707 296377269 /nfs/dbraw/zinc/37/72/69/296377269.db2.gz YITDNFZIZDXHKT-OTWHNJEPSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000423094839 296377498 /nfs/dbraw/zinc/37/74/98/296377498.db2.gz CUWFMLOYWYHYPK-RDJZCZTQSA-N 2 1 315.461 2.824 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000616994074 399557222 /nfs/dbraw/zinc/55/72/22/399557222.db2.gz UDZCWIUGYPZMCF-DLBZAZTESA-N 2 1 323.525 2.734 20 0 DFADMP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423098527 296378121 /nfs/dbraw/zinc/37/81/21/296378121.db2.gz SCLLZWYREVPKPZ-LVGQOLGVSA-N 2 1 318.436 2.818 20 0 DFADMP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423098526 296378165 /nfs/dbraw/zinc/37/81/65/296378165.db2.gz SCLLZWYREVPKPZ-HSANBRHQSA-N 2 1 318.436 2.818 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616996961 399559288 /nfs/dbraw/zinc/55/92/88/399559288.db2.gz RNAVKXHAWYMAET-CYBMUJFWSA-N 2 1 323.506 2.660 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000423107148 296378907 /nfs/dbraw/zinc/37/89/07/296378907.db2.gz PKGVRWQICWDHNW-ONYGOOLBSA-N 2 1 304.434 2.645 20 0 DFADMP CNC(=O)C[C@H]([NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000423105302 296378955 /nfs/dbraw/zinc/37/89/55/296378955.db2.gz YYWXGNRXRRBZLJ-NXHRZFHOSA-N 2 1 317.477 2.764 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120366 399560058 /nfs/dbraw/zinc/56/00/58/399560058.db2.gz XJSQJNSLRLFLSY-HOTGVXAUSA-N 2 1 313.449 2.650 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121593 399560551 /nfs/dbraw/zinc/56/05/51/399560551.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+]1CCCC[C@@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000624121593 399560555 /nfs/dbraw/zinc/56/05/55/399560555.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCCC[C@@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000624121593 399560559 /nfs/dbraw/zinc/56/05/59/399560559.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+]1CCCC[C@@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000624121593 399560562 /nfs/dbraw/zinc/56/05/62/399560562.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+]1CCCC[C@@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000624121593 399560567 /nfs/dbraw/zinc/56/05/67/399560567.db2.gz YIKCDMBAHCWSBK-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP c1ccc(C2CC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423112703 296380041 /nfs/dbraw/zinc/38/00/41/296380041.db2.gz KALUVGFRICYBPB-FLLWYEDFSA-N 2 1 314.473 2.927 20 0 DFADMP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1c[nH+]ccc1N ZINC000423122782 296381302 /nfs/dbraw/zinc/38/13/02/296381302.db2.gz CYUHIXHPCASKKA-JTQLQIEISA-N 2 1 310.323 2.801 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123951 399562945 /nfs/dbraw/zinc/56/29/45/399562945.db2.gz UPSNWPZTDSPNIF-BRWVUGGUSA-N 2 1 304.482 2.768 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309641967 533089735 /nfs/dbraw/zinc/08/97/35/533089735.db2.gz CHTLPFALSHDCAJ-HKUYNNGSSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423122541 296381233 /nfs/dbraw/zinc/38/12/33/296381233.db2.gz JUFGUJYIRLHEBJ-MPGHIAIKSA-N 2 1 307.482 2.792 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423130833 296382155 /nfs/dbraw/zinc/38/21/55/296382155.db2.gz SFNIUBSAVPSKKH-WDSOQIARSA-N 2 1 319.493 2.794 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000423128562 296381763 /nfs/dbraw/zinc/38/17/63/296381763.db2.gz KZIOAPAZHIHLQH-UKRRQHHQSA-N 2 1 318.490 2.752 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423139418 296383520 /nfs/dbraw/zinc/38/35/20/296383520.db2.gz ZWOLRPOWILRMDC-HYVNUMGLSA-N 2 1 305.441 2.915 20 0 DFADMP CC[C@H]([NH2+][C@H](CO)Cc1ccc(C)c(C)c1)[C@@H]1CCCC[NH2+]1 ZINC000423169918 296387626 /nfs/dbraw/zinc/38/76/26/296387626.db2.gz XCXUQTWSCKRWOW-FHWLQOOXSA-N 2 1 304.478 2.717 20 0 DFADMP CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)c(C)c1)[C@@H]1CCCC[NH2+]1 ZINC000423170020 296387792 /nfs/dbraw/zinc/38/77/92/296387792.db2.gz XCXUQTWSCKRWOW-QYZOEREBSA-N 2 1 304.478 2.717 20 0 DFADMP O[C@@H]1[C@@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCCC1(F)F ZINC000423176194 296388150 /nfs/dbraw/zinc/38/81/50/296388150.db2.gz FQDZTEKDYKANSU-CAOSSQGBSA-N 2 1 310.388 2.618 20 0 DFADMP O[C@@H]1[C@@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC1(F)F ZINC000423176195 296388304 /nfs/dbraw/zinc/38/83/04/296388304.db2.gz FQDZTEKDYKANSU-FXUDXRNXSA-N 2 1 310.388 2.618 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617009389 399571612 /nfs/dbraw/zinc/57/16/12/399571612.db2.gz XZWHIZVMYLAITB-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP [NH3+]CC[NH2+][C@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423181178 296388807 /nfs/dbraw/zinc/38/88/07/296388807.db2.gz JAONCFNJVBISHZ-ZDUSSCGKSA-N 2 1 308.223 2.856 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)[C@H]1Oc1ccccc1 ZINC000423181347 296389441 /nfs/dbraw/zinc/38/94/41/296389441.db2.gz OXQADGHNZBMYDT-RCCFBDPRSA-N 2 1 318.461 2.863 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NCC1([NH3+])CCCCC1 ZINC000423181754 296389449 /nfs/dbraw/zinc/38/94/49/296389449.db2.gz PKXJPMMNFHTVMV-WMZOPIPTSA-N 2 1 316.493 2.543 20 0 DFADMP Oc1cccc2c1CCC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184488 296389785 /nfs/dbraw/zinc/38/97/85/296389785.db2.gz IDRYENYKSMVTPJ-GOSISDBHSA-N 2 1 311.429 2.934 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)[C@H](C)C1 ZINC000157604074 197200502 /nfs/dbraw/zinc/20/05/02/197200502.db2.gz ABAAWPQEFFGLFK-XYPHTWIQSA-N 2 1 310.869 2.867 20 0 DFADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC000423190700 296390555 /nfs/dbraw/zinc/39/05/55/296390555.db2.gz NXCXAXSAFGSLSG-LSDHHAIUSA-N 2 1 309.251 2.648 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCCNC2)CC1 ZINC000423195988 296391097 /nfs/dbraw/zinc/39/10/97/296391097.db2.gz UEXRGQSXXOXZHQ-XBMUEBEBSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000423195988 296391099 /nfs/dbraw/zinc/39/10/99/296391099.db2.gz UEXRGQSXXOXZHQ-XBMUEBEBSA-N 3 1 301.478 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[NH2+]C2)CC1 ZINC000423195988 296391100 /nfs/dbraw/zinc/39/11/00/296391100.db2.gz UEXRGQSXXOXZHQ-XBMUEBEBSA-N 3 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157559545 197197258 /nfs/dbraw/zinc/19/72/58/197197258.db2.gz LRWJQFVKDUXVDY-GFOFROLCSA-N 2 1 310.869 2.866 20 0 DFADMP Brc1cccc2c1C[C@@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000423196748 296391310 /nfs/dbraw/zinc/39/13/10/296391310.db2.gz WBXVDWMMOMGONY-STQMWFEESA-N 2 1 309.251 2.648 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000157536327 197195148 /nfs/dbraw/zinc/19/51/48/197195148.db2.gz HCGZLYULHTWZJS-QGZVFWFLSA-N 2 1 312.461 2.700 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000157536327 197195149 /nfs/dbraw/zinc/19/51/49/197195149.db2.gz HCGZLYULHTWZJS-QGZVFWFLSA-N 2 1 312.461 2.700 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@H]4CC[NH2+]C4)[C@H]3C2)cc1 ZINC000423205027 296392181 /nfs/dbraw/zinc/39/21/81/296392181.db2.gz BKGTZWDYTIIKSO-MUGJNUQGSA-N 2 1 313.489 2.629 20 0 DFADMP C[C@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ncc(CN(C)C)s1 ZINC000347784107 285172510 /nfs/dbraw/zinc/17/25/10/285172510.db2.gz QAMRLRFYAMAGAX-CYBMUJFWSA-N 2 1 319.474 2.973 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423218688 296393744 /nfs/dbraw/zinc/39/37/44/296393744.db2.gz VTNYRONADBZYHB-NEPJUHHUSA-N 2 1 306.841 2.877 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000423232284 296394926 /nfs/dbraw/zinc/39/49/26/296394926.db2.gz IBPIQBFNAKMBRO-GXFFZTMASA-N 2 1 315.230 2.861 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000347805855 285183029 /nfs/dbraw/zinc/18/30/29/285183029.db2.gz CWHUDYNKEPVGKB-HZPDHXFCSA-N 2 1 311.514 2.589 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2CCC[NH2+]2)CC1 ZINC000423234603 296395327 /nfs/dbraw/zinc/39/53/27/296395327.db2.gz MCOHKDRMYCFWTF-JLAWEPINSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000423234603 296395329 /nfs/dbraw/zinc/39/53/29/296395329.db2.gz MCOHKDRMYCFWTF-JLAWEPINSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC(NC[C@H]2CCC[NH2+]2)CC1 ZINC000423234603 296395331 /nfs/dbraw/zinc/39/53/31/296395331.db2.gz MCOHKDRMYCFWTF-JLAWEPINSA-N 2 1 301.478 2.771 20 0 DFADMP CCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914408 197150190 /nfs/dbraw/zinc/15/01/90/197150190.db2.gz ZRKBXYJUPBXIRR-YJBOKZPZSA-N 2 1 317.477 2.662 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259511 296397782 /nfs/dbraw/zinc/39/77/82/296397782.db2.gz FCKGVNPNBLNCPY-MAUKXSAKSA-N 2 1 317.477 2.925 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@H]1Oc1ccccc1 ZINC000423262169 296398047 /nfs/dbraw/zinc/39/80/47/296398047.db2.gz LWFUJDMMSXACHJ-DZJNRPSUSA-N 2 1 306.450 2.574 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423272105 296399166 /nfs/dbraw/zinc/39/91/66/296399166.db2.gz YKMCRGUWXCNGHJ-YOEHRIQHSA-N 2 1 303.450 2.901 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@](C)(O)c1ccccc1Cl ZINC000156747072 197137628 /nfs/dbraw/zinc/13/76/28/197137628.db2.gz KXLDSWXUFCOHQK-QGZVFWFLSA-N 2 1 319.836 2.798 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1Br ZINC000423271419 296399207 /nfs/dbraw/zinc/39/92/07/296399207.db2.gz HKIWXBBEPXDIKN-NOZJJQNGSA-N 2 1 313.239 2.846 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1Br ZINC000423271423 296399289 /nfs/dbraw/zinc/39/92/89/296399289.db2.gz HKIWXBBEPXDIKN-TVQRCGJNSA-N 2 1 313.239 2.846 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423273423 296399497 /nfs/dbraw/zinc/39/94/97/296399497.db2.gz KQHGQNRSCMYTNA-CZUORRHYSA-N 2 1 306.454 2.850 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423265798 296398534 /nfs/dbraw/zinc/39/85/34/296398534.db2.gz RJBSIKCVKLKPBF-KSSFIOAISA-N 2 1 317.477 2.947 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000271546008 209000084 /nfs/dbraw/zinc/00/00/84/209000084.db2.gz RJSLTCLOGLTXLA-RYUDHWBXSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)CC[N@H+]1C ZINC000271546008 209000087 /nfs/dbraw/zinc/00/00/87/209000087.db2.gz RJSLTCLOGLTXLA-RYUDHWBXSA-N 2 1 317.355 2.552 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCSC3)CC2)cc1 ZINC000271547818 209001826 /nfs/dbraw/zinc/00/18/26/209001826.db2.gz VDRKUCZTBHEZGQ-KRWDZBQOSA-N 2 1 308.466 2.928 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000271653278 209097293 /nfs/dbraw/zinc/09/72/93/209097293.db2.gz VQUODYCFXOZHDQ-JSGCOSHPSA-N 2 1 317.389 2.797 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000271653278 209097295 /nfs/dbraw/zinc/09/72/95/209097295.db2.gz VQUODYCFXOZHDQ-JSGCOSHPSA-N 2 1 317.389 2.797 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624217623 399601170 /nfs/dbraw/zinc/60/11/70/399601170.db2.gz ASCNVVWGXRSWEU-CENDIDJXSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000423370745 296409923 /nfs/dbraw/zinc/40/99/23/296409923.db2.gz HCENZPXUGSHKPO-UPJWGTAASA-N 2 1 319.840 2.712 20 0 DFADMP C[C@@H](CCO)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000294677674 224162697 /nfs/dbraw/zinc/16/26/97/224162697.db2.gz BAJHPHPSAKQIGW-QGZVFWFLSA-N 2 1 304.478 2.692 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C1=CCCCCC1 ZINC000353711681 285242996 /nfs/dbraw/zinc/24/29/96/285242996.db2.gz CXFKOSUPFZQRTJ-GOSISDBHSA-N 2 1 321.509 2.751 20 0 DFADMP Clc1cccc([C@H](Cc2cccnc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000423445968 296417358 /nfs/dbraw/zinc/41/73/58/296417358.db2.gz YLSGRXUKSCWASD-XWTMOSNGSA-N 2 1 313.832 2.826 20 0 DFADMP CC[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000271652720 209095973 /nfs/dbraw/zinc/09/59/73/209095973.db2.gz IMTLVHGBLIRRND-JKSUJKDBSA-N 2 1 304.434 2.983 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423471544 296419026 /nfs/dbraw/zinc/41/90/26/296419026.db2.gz HISBJNLFWOOBAJ-BBRMVZONSA-N 2 1 310.388 2.907 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423471546 296419191 /nfs/dbraw/zinc/41/91/91/296419191.db2.gz HISBJNLFWOOBAJ-CJNGLKHVSA-N 2 1 310.388 2.907 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(-n2cccn2)cc1 ZINC000423487527 296421324 /nfs/dbraw/zinc/42/13/24/296421324.db2.gz VLBOIMPWCVYHNL-DZGCQCFKSA-N 2 1 320.387 2.768 20 0 DFADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000120398995 195157642 /nfs/dbraw/zinc/15/76/42/195157642.db2.gz KPBXEULTHWITHU-HOTGVXAUSA-N 2 1 322.449 2.640 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423492615 296421977 /nfs/dbraw/zinc/42/19/77/296421977.db2.gz NYFJALSJRKQZCQ-YJBOKZPZSA-N 2 1 306.450 2.895 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1OCC ZINC000423514763 296424549 /nfs/dbraw/zinc/42/45/49/296424549.db2.gz MRRCMHWMMJOJMD-HOCLYGCPSA-N 2 1 322.449 2.513 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294903111 533206403 /nfs/dbraw/zinc/20/64/03/533206403.db2.gz ARICRFQYEFJKGP-ZZJWQFMZSA-N 2 1 302.462 2.801 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294903111 533206405 /nfs/dbraw/zinc/20/64/05/533206405.db2.gz ARICRFQYEFJKGP-ZZJWQFMZSA-N 2 1 302.462 2.801 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294903111 533206408 /nfs/dbraw/zinc/20/64/08/533206408.db2.gz ARICRFQYEFJKGP-ZZJWQFMZSA-N 2 1 302.462 2.801 20 0 DFADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC3CCCC3)CC2)[C@H](C)C1 ZINC000120734923 195226579 /nfs/dbraw/zinc/22/65/79/195226579.db2.gz CPMDHLSJCNPICF-APWZRJJASA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc[nH]c3=O)CC2)C1 ZINC000624257789 399617962 /nfs/dbraw/zinc/61/79/62/399617962.db2.gz QLHHEGPVGGNVMR-PBHICJAKSA-N 2 1 303.450 2.920 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624257724 399618028 /nfs/dbraw/zinc/61/80/28/399618028.db2.gz NXWCKUXPJAKCBR-YJBOKZPZSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Br)nc1 ZINC000289665978 221141174 /nfs/dbraw/zinc/14/11/74/221141174.db2.gz IXNXSLYBYQYCTN-LBPRGKRZSA-N 2 1 312.255 2.981 20 0 DFADMP C[C@@H](Cc1ccccc1)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289725103 221181256 /nfs/dbraw/zinc/18/12/56/221181256.db2.gz HLVAASAYRUECHV-SFHVURJKSA-N 2 1 317.521 2.823 20 0 DFADMP COC[C@H](CCC[NH3+])[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629513495 399630487 /nfs/dbraw/zinc/63/04/87/399630487.db2.gz HBNHTXRZSMLTFQ-GOEBONIOSA-N 2 1 312.841 2.547 20 0 DFADMP COC[C@@H](CCC[NH3+])[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629513485 399630899 /nfs/dbraw/zinc/63/08/99/399630899.db2.gz HBNHTXRZSMLTFQ-GDBMZVCRSA-N 2 1 312.841 2.547 20 0 DFADMP FC(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629518175 399633142 /nfs/dbraw/zinc/63/31/42/399633142.db2.gz FLYMPLHPVJFKFP-ZACQAIPSSA-N 2 1 323.431 2.799 20 0 DFADMP [NH3+]C1(C[NH2+][C@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CCOCC1 ZINC000629519886 399634085 /nfs/dbraw/zinc/63/40/85/399634085.db2.gz IMRUVGJGBRNCHH-DLBZAZTESA-N 2 1 322.424 2.533 20 0 DFADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CCOCC1 ZINC000629521389 399634171 /nfs/dbraw/zinc/63/41/71/399634171.db2.gz OOJJMCBPDLMVKZ-CQSZACIVSA-N 2 1 310.825 2.651 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCc2cn[nH]c2)CC1 ZINC000289820027 221247064 /nfs/dbraw/zinc/24/70/64/221247064.db2.gz OXKBXEBQGFTQMD-UHFFFAOYSA-N 2 1 312.461 2.985 20 0 DFADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CCOCC1 ZINC000629523719 399635372 /nfs/dbraw/zinc/63/53/72/399635372.db2.gz IIFBZIJAUCRAKI-AWEZNQCLSA-N 2 1 310.825 2.651 20 0 DFADMP Cc1cc(Cl)cc2c1OCCC[C@@H]2[NH2+]CC1([NH3+])CCOCC1 ZINC000629525627 399636026 /nfs/dbraw/zinc/63/60/26/399636026.db2.gz YBAULYYAZNRTDH-HNNXBMFYSA-N 2 1 324.852 2.960 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000289940870 221331086 /nfs/dbraw/zinc/33/10/86/221331086.db2.gz UGKRGGFRGBQJPV-CQSZACIVSA-N 2 1 306.454 2.598 20 0 DFADMP Cc1nc(C(C)C)ccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000629533207 399638029 /nfs/dbraw/zinc/63/80/29/399638029.db2.gz NHYUICZWNBHGQA-KRWDZBQOSA-N 2 1 317.477 2.701 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC000629534898 399639266 /nfs/dbraw/zinc/63/92/66/399639266.db2.gz BQPZQADKEGYXDL-SUYBPPKGSA-N 2 1 324.852 2.764 20 0 DFADMP CC(C)c1ccc([C@@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000629544628 399642462 /nfs/dbraw/zinc/64/24/62/399642462.db2.gz GDJSDEIKKDYHDR-RDTXWAMCSA-N 2 1 313.449 2.787 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(Cl)c2cccnc12 ZINC000629571476 399652648 /nfs/dbraw/zinc/65/26/48/399652648.db2.gz VJKBHZWLFFXYTD-UHFFFAOYSA-N 2 1 307.825 2.556 20 0 DFADMP Cc1c(Cl)c(C[N@H+](C)CCOCC[NH3+])nc2ccccc12 ZINC000629575326 399653923 /nfs/dbraw/zinc/65/39/23/399653923.db2.gz MLVRSQJETCZVIT-UHFFFAOYSA-N 2 1 307.825 2.604 20 0 DFADMP Cc1c(Cl)c(C[N@@H+](C)CCOCC[NH3+])nc2ccccc12 ZINC000629575326 399653925 /nfs/dbraw/zinc/65/39/25/399653925.db2.gz MLVRSQJETCZVIT-UHFFFAOYSA-N 2 1 307.825 2.604 20 0 DFADMP C[N@@H+](C[C@@H](O)CNCc1ccc(-c2ccccc2)s1)C1CC1 ZINC000629585874 399656291 /nfs/dbraw/zinc/65/62/91/399656291.db2.gz GOCHMNMWEQDYKC-INIZCTEOSA-N 2 1 316.470 2.960 20 0 DFADMP CN(C[C@@H](O)C[NH2+]Cc1ccc(-c2ccccc2)s1)C1CC1 ZINC000629585874 399656293 /nfs/dbraw/zinc/65/62/93/399656293.db2.gz GOCHMNMWEQDYKC-INIZCTEOSA-N 2 1 316.470 2.960 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000629610232 399663015 /nfs/dbraw/zinc/66/30/15/399663015.db2.gz UZBHOOMCDXGSTL-SESVDKBCSA-N 2 1 324.468 2.933 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629610232 399663018 /nfs/dbraw/zinc/66/30/18/399663018.db2.gz UZBHOOMCDXGSTL-SESVDKBCSA-N 2 1 324.468 2.933 20 0 DFADMP C[NH+](C)[C@H](CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617345071 399671493 /nfs/dbraw/zinc/67/14/93/399671493.db2.gz WSLIHRLBGWISEM-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)c2ccccc21 ZINC000629545506 399642808 /nfs/dbraw/zinc/64/28/08/399642808.db2.gz HTVYYUKOUPLAKT-DDUZABMNSA-N 2 1 311.433 2.541 20 0 DFADMP CC(C)C[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccs1 ZINC000629552480 399645441 /nfs/dbraw/zinc/64/54/41/399645441.db2.gz KMVZCBFWGZAHMP-LSDHHAIUSA-N 2 1 319.478 2.751 20 0 DFADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000629551788 399645898 /nfs/dbraw/zinc/64/58/98/399645898.db2.gz XLALKDVCDDSJPV-MGPQQGTHSA-N 2 1 320.399 2.856 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@H]1C(F)(F)F ZINC000629656413 399677603 /nfs/dbraw/zinc/67/76/03/399677603.db2.gz OHNUZDQKUKWRSK-UONOGXRCSA-N 2 1 313.367 2.614 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@H]1C(F)(F)F ZINC000629656413 399677606 /nfs/dbraw/zinc/67/76/06/399677606.db2.gz OHNUZDQKUKWRSK-UONOGXRCSA-N 2 1 313.367 2.614 20 0 DFADMP COc1ccccc1-c1ccc(C[N@@H+](C)CCOCC[NH3+])cc1 ZINC000629668014 399682825 /nfs/dbraw/zinc/68/28/25/399682825.db2.gz ZDSIXBYGTKRFTI-UHFFFAOYSA-N 2 1 314.429 2.769 20 0 DFADMP Cc1nn(C)c(N(C)C)c1C[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000624511465 399695824 /nfs/dbraw/zinc/69/58/24/399695824.db2.gz ISABMEDANPDXIC-HNNXBMFYSA-N 2 1 321.513 2.539 20 0 DFADMP Cc1noc([C@H](C)N2CC[C@@H](CNc3cc(C)ccn3)C2)n1 ZINC000624484643 399686268 /nfs/dbraw/zinc/68/62/68/399686268.db2.gz GSXWOTGDCKUJLI-JSGCOSHPSA-N 2 1 301.394 2.576 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1c(OC)ccc2ccccc21 ZINC000629652151 399676330 /nfs/dbraw/zinc/67/63/30/399676330.db2.gz BIUSRPLAPCBSGC-UHFFFAOYSA-N 2 1 302.418 2.516 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)c(OC(F)F)c(C)c1 ZINC000629653086 399676604 /nfs/dbraw/zinc/67/66/04/399676604.db2.gz MVHVTWIGNNIVOJ-UHFFFAOYSA-N 2 1 316.392 2.573 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2cccc(CC[NH3+])c2)CC1 ZINC000629735292 399707489 /nfs/dbraw/zinc/70/74/89/399707489.db2.gz PYHLPTGAGPPMPP-UHFFFAOYSA-N 2 1 309.457 2.602 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2CO)cc1 ZINC000629738311 399710381 /nfs/dbraw/zinc/71/03/81/399710381.db2.gz MGLYAGNMPYRIMY-GOSISDBHSA-N 2 1 314.404 2.908 20 0 DFADMP [NH3+]C[C@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2CO)cc1 ZINC000629738311 399710386 /nfs/dbraw/zinc/71/03/86/399710386.db2.gz MGLYAGNMPYRIMY-GOSISDBHSA-N 2 1 314.404 2.908 20 0 DFADMP Cc1cccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1C ZINC000603220457 399714679 /nfs/dbraw/zinc/71/46/79/399714679.db2.gz ROSFTVSKFRWJNF-UHFFFAOYSA-N 2 1 324.428 2.703 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000617503611 399720821 /nfs/dbraw/zinc/72/08/21/399720821.db2.gz QPUAAOULUJNXBM-GVDBMIGSSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1[C@@H]2CCCCCC[C@@H]12 ZINC000617503611 399720823 /nfs/dbraw/zinc/72/08/23/399720823.db2.gz QPUAAOULUJNXBM-GVDBMIGSSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@H]([NH2+]Cc1ncccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348108356 285354462 /nfs/dbraw/zinc/35/44/62/285354462.db2.gz CGXXSTONCWHDOV-DOTOQJQBSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@H]([NH2+]Cc1ncccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348108356 285354464 /nfs/dbraw/zinc/35/44/64/285354464.db2.gz CGXXSTONCWHDOV-DOTOQJQBSA-N 2 1 311.429 2.787 20 0 DFADMP Clc1cncc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000621252840 399735028 /nfs/dbraw/zinc/73/50/28/399735028.db2.gz FVEPRMKEWWWJEU-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[NH+](C)C1 ZINC000121050094 195288036 /nfs/dbraw/zinc/28/80/36/195288036.db2.gz YCEQYTFZPATOOP-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000121050094 195288038 /nfs/dbraw/zinc/28/80/38/195288038.db2.gz YCEQYTFZPATOOP-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000121050094 195288040 /nfs/dbraw/zinc/28/80/40/195288040.db2.gz YCEQYTFZPATOOP-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000121065138 195289204 /nfs/dbraw/zinc/28/92/04/195289204.db2.gz SSLUBDOYXVYOCA-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000121065138 195289206 /nfs/dbraw/zinc/28/92/06/195289206.db2.gz SSLUBDOYXVYOCA-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000121065138 195289208 /nfs/dbraw/zinc/28/92/08/195289208.db2.gz SSLUBDOYXVYOCA-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000121065138 195289211 /nfs/dbraw/zinc/28/92/11/195289211.db2.gz SSLUBDOYXVYOCA-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3ccccn3)CC2)cc1 ZINC000121714532 195333635 /nfs/dbraw/zinc/33/36/35/195333635.db2.gz JYGKRCWMVXBKAY-UHFFFAOYSA-N 2 1 309.457 2.921 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000361627493 285383622 /nfs/dbraw/zinc/38/36/22/285383622.db2.gz NKSSVVBOFRZXLB-HOTGVXAUSA-N 2 1 309.498 2.617 20 0 DFADMP CC[N@@H+](CCO[C@H]1CC1(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063729 399742394 /nfs/dbraw/zinc/74/23/94/399742394.db2.gz NWCCSNRISKJUNM-INIZCTEOSA-N 2 1 312.404 2.994 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000603320421 399744136 /nfs/dbraw/zinc/74/41/36/399744136.db2.gz IMJMEHPFHLGGGC-MAUKXSAKSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000309746987 533649990 /nfs/dbraw/zinc/64/99/90/533649990.db2.gz UTIRFYZKEUABCP-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000309746987 533649995 /nfs/dbraw/zinc/64/99/95/533649995.db2.gz UTIRFYZKEUABCP-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000309746987 533650003 /nfs/dbraw/zinc/65/00/03/533650003.db2.gz UTIRFYZKEUABCP-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1OC ZINC000299306971 533658661 /nfs/dbraw/zinc/65/86/61/533658661.db2.gz CZSZVBKFIWFMEU-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)CCc1ccccc1 ZINC000123967479 542595419 /nfs/dbraw/zinc/59/54/19/542595419.db2.gz NERCCGLUQTUMSD-UHFFFAOYSA-N 2 1 301.434 2.509 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)CCc1ccccc1 ZINC000123967479 542595422 /nfs/dbraw/zinc/59/54/22/542595422.db2.gz NERCCGLUQTUMSD-UHFFFAOYSA-N 2 1 301.434 2.509 20 0 DFADMP CCc1noc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000121828671 542587061 /nfs/dbraw/zinc/58/70/61/542587061.db2.gz JERSPBPOHABKJU-UHFFFAOYSA-N 2 1 306.454 2.720 20 0 DFADMP CCC(O)(CC)C[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626111842 399758158 /nfs/dbraw/zinc/75/81/58/399758158.db2.gz CDNLOQYFXDMDNH-UHFFFAOYSA-N 2 1 320.477 2.502 20 0 DFADMP CCC(O)(CC)C[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000626111842 399758160 /nfs/dbraw/zinc/75/81/60/399758160.db2.gz CDNLOQYFXDMDNH-UHFFFAOYSA-N 2 1 320.477 2.502 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000124753541 542598411 /nfs/dbraw/zinc/59/84/11/542598411.db2.gz DHESXUWMZDCPJQ-SFHVURJKSA-N 2 1 307.457 2.892 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000626116207 399760338 /nfs/dbraw/zinc/76/03/38/399760338.db2.gz URFCNCFXZODDPT-SFHVURJKSA-N 2 1 300.446 2.977 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000626116207 399760343 /nfs/dbraw/zinc/76/03/43/399760343.db2.gz URFCNCFXZODDPT-SFHVURJKSA-N 2 1 300.446 2.977 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000629961027 399770222 /nfs/dbraw/zinc/77/02/22/399770222.db2.gz GSARFIJDXXMNNO-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000629961027 399770226 /nfs/dbraw/zinc/77/02/26/399770226.db2.gz GSARFIJDXXMNNO-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629961027 399770230 /nfs/dbraw/zinc/77/02/30/399770230.db2.gz GSARFIJDXXMNNO-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000629961026 399770509 /nfs/dbraw/zinc/77/05/09/399770509.db2.gz GSARFIJDXXMNNO-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000629961026 399770512 /nfs/dbraw/zinc/77/05/12/399770512.db2.gz GSARFIJDXXMNNO-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629961026 399770513 /nfs/dbraw/zinc/77/05/13/399770513.db2.gz GSARFIJDXXMNNO-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](C)C[C@H](NC(=O)C[N@@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629991240 399784426 /nfs/dbraw/zinc/78/44/26/399784426.db2.gz RVUYCHLYROSXIO-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H]1C[N@@H+](C[C@H]2CN(Cc3ccccc3)CCCO2)C[C@H]1C ZINC000284089768 131047851 /nfs/dbraw/zinc/04/78/51/131047851.db2.gz LXSWDRMXASPGQR-ZIFCJYIRSA-N 2 1 302.462 2.865 20 0 DFADMP O=C1CCCN1c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166156856 542749379 /nfs/dbraw/zinc/74/93/79/542749379.db2.gz BPPCFDSKLRVDCQ-DLBZAZTESA-N 2 1 313.445 2.530 20 0 DFADMP O=C1CCCN1c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166156856 542749382 /nfs/dbraw/zinc/74/93/82/542749382.db2.gz BPPCFDSKLRVDCQ-DLBZAZTESA-N 2 1 313.445 2.530 20 0 DFADMP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000166122263 542749704 /nfs/dbraw/zinc/74/97/04/542749704.db2.gz CPDLACUFRUNJRR-RTBURBONSA-N 2 1 310.445 2.648 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000166719963 542751898 /nfs/dbraw/zinc/75/18/98/542751898.db2.gz FXNLFNMLBSALNP-JKSUJKDBSA-N 2 1 311.429 2.960 20 0 DFADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180426140 542784534 /nfs/dbraw/zinc/78/45/34/542784534.db2.gz UFOWLARRHSKYIA-QAPCUYQASA-N 2 1 312.461 2.933 20 0 DFADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000180426140 542784539 /nfs/dbraw/zinc/78/45/39/542784539.db2.gz UFOWLARRHSKYIA-QAPCUYQASA-N 2 1 312.461 2.933 20 0 DFADMP CC(C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000185142551 542809719 /nfs/dbraw/zinc/80/97/19/542809719.db2.gz XMSXZKBBWHXNBF-UHFFFAOYSA-N 2 1 307.457 2.531 20 0 DFADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000194862660 542862494 /nfs/dbraw/zinc/86/24/94/542862494.db2.gz KOHLWOHNPWYXLQ-YJBOKZPZSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)[C@H]1C[NH3+] ZINC000252212192 542946628 /nfs/dbraw/zinc/94/66/28/542946628.db2.gz WQUFBGNZZREOSG-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@H]1C[NH3+] ZINC000252212192 542946630 /nfs/dbraw/zinc/94/66/30/542946630.db2.gz WQUFBGNZZREOSG-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000268896384 542961349 /nfs/dbraw/zinc/96/13/49/542961349.db2.gz KFIGENIRJABTKZ-AEFFLSMTSA-N 2 1 306.425 2.640 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1Cc1ccccc1 ZINC000268862110 542960861 /nfs/dbraw/zinc/96/08/61/542960861.db2.gz DQBAQKQAYTTXHY-NLNMYJFZSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1Cc1ccccc1 ZINC000268862110 542960863 /nfs/dbraw/zinc/96/08/63/542960863.db2.gz DQBAQKQAYTTXHY-NLNMYJFZSA-N 2 1 300.446 2.949 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)oc1C ZINC000292755741 543016712 /nfs/dbraw/zinc/01/67/12/543016712.db2.gz XFIRQKHNXBNBRD-BJJXKVORSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)oc1C ZINC000292755741 543016715 /nfs/dbraw/zinc/01/67/15/543016715.db2.gz XFIRQKHNXBNBRD-BJJXKVORSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)oc1C ZINC000292755741 543016718 /nfs/dbraw/zinc/01/67/18/543016718.db2.gz XFIRQKHNXBNBRD-BJJXKVORSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)oc1C ZINC000292755741 543016722 /nfs/dbraw/zinc/01/67/22/543016722.db2.gz XFIRQKHNXBNBRD-BJJXKVORSA-N 2 1 320.433 2.852 20 0 DFADMP CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309765098 543065682 /nfs/dbraw/zinc/06/56/82/543065682.db2.gz ZGNRCFKVVXGMFN-MRXNPFEDSA-N 2 1 302.466 2.811 20 0 DFADMP c1cc(C[NH+]2CCC([NH+]3CCCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000322402138 543089518 /nfs/dbraw/zinc/08/95/18/543089518.db2.gz SKAHRFJGKAMALK-UHFFFAOYSA-N 3 1 313.489 2.783 20 0 DFADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)c1 ZINC000438203285 297084654 /nfs/dbraw/zinc/08/46/54/297084654.db2.gz ROBSIRYFCBQFQB-HZPDHXFCSA-N 2 1 308.491 2.976 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)c1 ZINC000438203285 297084655 /nfs/dbraw/zinc/08/46/55/297084655.db2.gz ROBSIRYFCBQFQB-HZPDHXFCSA-N 2 1 308.491 2.976 20 0 DFADMP CCCN(CC[NH+]1CCCCC1)Cc1ncc(C[NH+](C)C)s1 ZINC000348871511 285708261 /nfs/dbraw/zinc/70/82/61/285708261.db2.gz XLPAJNIHAAJOEX-UHFFFAOYSA-N 2 1 324.538 2.903 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH+]1CCCC[C@H]1C ZINC000339274403 543143411 /nfs/dbraw/zinc/14/34/11/543143411.db2.gz IZVHXRYJGBYUJN-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339274403 543143415 /nfs/dbraw/zinc/14/34/15/543143415.db2.gz IZVHXRYJGBYUJN-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339274403 543143417 /nfs/dbraw/zinc/14/34/17/543143417.db2.gz IZVHXRYJGBYUJN-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339274405 543143693 /nfs/dbraw/zinc/14/36/93/543143693.db2.gz IZVHXRYJGBYUJN-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339274405 543143694 /nfs/dbraw/zinc/14/36/94/543143694.db2.gz IZVHXRYJGBYUJN-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339274405 543143695 /nfs/dbraw/zinc/14/36/95/543143695.db2.gz IZVHXRYJGBYUJN-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000339275491 543143727 /nfs/dbraw/zinc/14/37/27/543143727.db2.gz LHXVWIRQTGGFME-MRXNPFEDSA-N 2 1 317.477 2.629 20 0 DFADMP C[NH+](C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000339066664 543139739 /nfs/dbraw/zinc/13/97/39/543139739.db2.gz CSHPIBCXRORVCX-OKZBNKHCSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000339066664 543139741 /nfs/dbraw/zinc/13/97/41/543139741.db2.gz CSHPIBCXRORVCX-OKZBNKHCSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000339066664 543139743 /nfs/dbraw/zinc/13/97/43/543139743.db2.gz CSHPIBCXRORVCX-OKZBNKHCSA-N 2 1 305.441 2.645 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339069791 543140260 /nfs/dbraw/zinc/14/02/60/543140260.db2.gz LIZDMCSWEQLGCI-SJORKVTESA-N 2 1 318.461 2.853 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000339070199 543140697 /nfs/dbraw/zinc/14/06/97/543140697.db2.gz XQDDZUUQCGYJLC-QYZOEREBSA-N 2 1 301.478 2.814 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339070199 543140700 /nfs/dbraw/zinc/14/07/00/543140700.db2.gz XQDDZUUQCGYJLC-QYZOEREBSA-N 2 1 301.478 2.814 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339070199 543140702 /nfs/dbraw/zinc/14/07/02/543140702.db2.gz XQDDZUUQCGYJLC-QYZOEREBSA-N 2 1 301.478 2.814 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339828171 543147027 /nfs/dbraw/zinc/14/70/27/543147027.db2.gz SBRVWIZBNRDAEY-MRXNPFEDSA-N 2 1 314.433 2.719 20 0 DFADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342101408 543161427 /nfs/dbraw/zinc/16/14/27/543161427.db2.gz KQMCOAXYHPJTPZ-RRQGHBQHSA-N 2 1 306.475 2.847 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCCC[C@@H]1CCO ZINC000342826657 543164631 /nfs/dbraw/zinc/16/46/31/543164631.db2.gz TYVVJZVBHGHAPT-QGZVFWFLSA-N 2 1 314.433 2.703 20 0 DFADMP CCc1cc(NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)nc(C)[nH+]1 ZINC000343265348 543166399 /nfs/dbraw/zinc/16/63/99/543166399.db2.gz BUXYFRLDFNGAHQ-WFASDCNBSA-N 2 1 302.422 2.904 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)C[NH+](CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000353415578 543235165 /nfs/dbraw/zinc/23/51/65/543235165.db2.gz KRVVZALZJHARPZ-WMZOPIPTSA-N 2 1 319.493 2.744 20 0 DFADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC3(C)CCC3)CC2)C[C@H](C)O1 ZINC000349364412 285847864 /nfs/dbraw/zinc/84/78/64/285847864.db2.gz GKUBBFPLVWXYOX-IRXDYDNUSA-N 2 1 324.509 2.767 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000390915884 543308283 /nfs/dbraw/zinc/30/82/83/543308283.db2.gz UHTRNXWMQAKWJW-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390915884 543308285 /nfs/dbraw/zinc/30/82/85/543308285.db2.gz UHTRNXWMQAKWJW-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390915884 543308287 /nfs/dbraw/zinc/30/82/87/543308287.db2.gz UHTRNXWMQAKWJW-OALUTQOASA-N 2 1 315.505 2.971 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@]3(C[NH3+])C1)O[C@H](C)C2 ZINC000391819748 543308836 /nfs/dbraw/zinc/30/88/36/543308836.db2.gz GWVYCBPWQTVAAR-AZOIQLNYSA-N 2 1 316.445 2.579 20 0 DFADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@]3(C[NH3+])C1)O[C@H](C)C2 ZINC000391819748 543308839 /nfs/dbraw/zinc/30/88/39/543308839.db2.gz GWVYCBPWQTVAAR-AZOIQLNYSA-N 2 1 316.445 2.579 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000166370767 145234254 /nfs/dbraw/zinc/23/42/54/145234254.db2.gz RAMNVYHLFHITGP-KRWDZBQOSA-N 2 1 303.450 2.530 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000414337142 543325449 /nfs/dbraw/zinc/32/54/49/543325449.db2.gz KNBDYOFQNSRUDS-OQIJWPOYSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C[C@@H]1c1ccccc1 ZINC000414337142 543325452 /nfs/dbraw/zinc/32/54/52/543325452.db2.gz KNBDYOFQNSRUDS-OQIJWPOYSA-N 2 1 302.462 2.963 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000171921842 145283174 /nfs/dbraw/zinc/28/31/74/145283174.db2.gz ORGKQFNKGRPEOX-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000414935408 543328279 /nfs/dbraw/zinc/32/82/79/543328279.db2.gz YLHWJHKFYBMBPS-ZJUUUORDSA-N 2 1 301.203 2.948 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000414935404 543328360 /nfs/dbraw/zinc/32/83/60/543328360.db2.gz YLHWJHKFYBMBPS-UWVGGRQHSA-N 2 1 301.203 2.948 20 0 DFADMP Cc1ncsc1CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000172535833 145307276 /nfs/dbraw/zinc/30/72/76/145307276.db2.gz HGVRCCKNTDEYAO-UHFFFAOYSA-N 2 1 304.463 2.682 20 0 DFADMP Cc1cc(N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)nc(-c2ccncc2)n1 ZINC000172765388 145316042 /nfs/dbraw/zinc/31/60/42/145316042.db2.gz JOELXAJWOFRPRP-GDBMZVCRSA-N 2 1 311.433 2.766 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)C[C@@H]1c1ccccc1 ZINC000417378305 543335361 /nfs/dbraw/zinc/33/53/61/543335361.db2.gz FBULWQUGHVWGBJ-GVDBMIGSSA-N 2 1 323.431 2.751 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)C[C@@H]1c1ccccc1 ZINC000417378305 543335363 /nfs/dbraw/zinc/33/53/63/543335363.db2.gz FBULWQUGHVWGBJ-GVDBMIGSSA-N 2 1 323.431 2.751 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630513525 399897233 /nfs/dbraw/zinc/89/72/33/399897233.db2.gz ODQRIVXOKDFMLV-CVEARBPZSA-N 2 1 309.417 2.679 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2ccc(Br)cc21 ZINC000630559732 399903206 /nfs/dbraw/zinc/90/32/06/399903206.db2.gz ZESCTHYONOLKNS-MWLCHTKSSA-N 2 1 306.207 2.923 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631042657 399967908 /nfs/dbraw/zinc/96/79/08/399967908.db2.gz KWNGANBLGBALIS-INIZCTEOSA-N 2 1 318.509 2.901 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)s1 ZINC000631045520 399968703 /nfs/dbraw/zinc/96/87/03/399968703.db2.gz GWUOLBXOBRDURN-AWEZNQCLSA-N 2 1 311.495 2.544 20 0 DFADMP COc1ccccc1N1CCC([NH2+]C[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000631069283 399974291 /nfs/dbraw/zinc/97/42/91/399974291.db2.gz SDUYCGUDSADJSC-MRXNPFEDSA-N 2 1 317.477 2.595 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2ccc(F)c(F)c2N(C)C)CC[N@H+]1C ZINC000628183778 399997329 /nfs/dbraw/zinc/99/73/29/399997329.db2.gz MXZJNYXREVRBIR-TZMCWYRMSA-N 2 1 311.420 2.945 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000631192807 400000018 /nfs/dbraw/zinc/00/00/18/400000018.db2.gz AMVVQKSBKAQESI-YJBOKZPZSA-N 2 1 312.461 2.586 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000631192807 400000019 /nfs/dbraw/zinc/00/00/19/400000019.db2.gz AMVVQKSBKAQESI-YJBOKZPZSA-N 2 1 312.461 2.586 20 0 DFADMP C[C@]1(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCS1 ZINC000628199990 400000056 /nfs/dbraw/zinc/00/00/56/400000056.db2.gz SNGFIPCEXAWGAG-GOSISDBHSA-N 2 1 320.502 2.894 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194912 400000823 /nfs/dbraw/zinc/00/08/23/400000823.db2.gz SEWRAECUKMDJPX-CRAIPNDOSA-N 2 1 311.429 2.645 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631197088 400001604 /nfs/dbraw/zinc/00/16/04/400001604.db2.gz WZMWJHXLYSZRFT-KXBFYZLASA-N 2 1 310.445 2.643 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631197088 400001605 /nfs/dbraw/zinc/00/16/05/400001605.db2.gz WZMWJHXLYSZRFT-KXBFYZLASA-N 2 1 310.445 2.643 20 0 DFADMP CCn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631196584 400001671 /nfs/dbraw/zinc/00/16/71/400001671.db2.gz SOZFLLGUGDTQSR-APWZRJJASA-N 2 1 312.461 2.761 20 0 DFADMP CCn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631196584 400001673 /nfs/dbraw/zinc/00/16/73/400001673.db2.gz SOZFLLGUGDTQSR-APWZRJJASA-N 2 1 312.461 2.761 20 0 DFADMP Cc1nc(C)c(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC000628211594 400002259 /nfs/dbraw/zinc/00/22/59/400002259.db2.gz MCMHDEQRJGAMNT-UHFFFAOYSA-N 2 1 317.433 2.912 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H](O)C(F)F ZINC000631216908 400006447 /nfs/dbraw/zinc/00/64/47/400006447.db2.gz OZYKCMMAABIKAY-HNNXBMFYSA-N 2 1 314.420 2.750 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccc2[nH]ccc2c1)C1CC[NH+](C)CC1 ZINC000628278106 400012782 /nfs/dbraw/zinc/01/27/82/400012782.db2.gz ZVTDVXPTRCHHTM-UHFFFAOYSA-N 2 1 314.477 2.626 20 0 DFADMP c1ccc2cc(N3CCC([N@H+]4CCCOCC4)CC3)ncc2c1 ZINC000631298639 400020526 /nfs/dbraw/zinc/02/05/26/400020526.db2.gz CXIHQFABENGBJS-UHFFFAOYSA-N 2 1 311.429 2.926 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000631301979 400020748 /nfs/dbraw/zinc/02/07/48/400020748.db2.gz YJOUACZWPXBUOR-LULLPPNCSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000631301979 400020751 /nfs/dbraw/zinc/02/07/51/400020751.db2.gz YJOUACZWPXBUOR-LULLPPNCSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1ccc([C@@H](C)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000628352122 400024764 /nfs/dbraw/zinc/02/47/64/400024764.db2.gz XTCSJFJUNFOOFI-QFBILLFUSA-N 2 1 302.462 2.630 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000628425430 400031435 /nfs/dbraw/zinc/03/14/35/400031435.db2.gz KNZCVRLGJPVLEY-KRWDZBQOSA-N 2 1 302.462 2.876 20 0 DFADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628747380 400052012 /nfs/dbraw/zinc/05/20/12/400052012.db2.gz PEHKHJCQYTVNJE-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000631566134 400052042 /nfs/dbraw/zinc/05/20/42/400052042.db2.gz LQYCFQYJOHRDAV-PBHICJAKSA-N 2 1 316.445 2.983 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628747855 400052187 /nfs/dbraw/zinc/05/21/87/400052187.db2.gz CPNUMHOXLYESNB-QGZVFWFLSA-N 2 1 311.514 2.737 20 0 DFADMP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000631579238 400054137 /nfs/dbraw/zinc/05/41/37/400054137.db2.gz DULLIGRWSQWQAP-OXQOHEQNSA-N 2 1 312.457 2.797 20 0 DFADMP c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000631579945 400054271 /nfs/dbraw/zinc/05/42/71/400054271.db2.gz DGBKMCBNHQDUCP-BEFAXECRSA-N 2 1 315.461 2.550 20 0 DFADMP C[C@H](CCCCO)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631664313 400064095 /nfs/dbraw/zinc/06/40/95/400064095.db2.gz NPSKFOOJONCONB-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP CC[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667162 400064248 /nfs/dbraw/zinc/06/42/48/400064248.db2.gz LQBNNVGIFBKRPB-IEBWSBKVSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667162 400064249 /nfs/dbraw/zinc/06/42/49/400064249.db2.gz LQBNNVGIFBKRPB-IEBWSBKVSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000631667162 400064251 /nfs/dbraw/zinc/06/42/51/400064251.db2.gz LQBNNVGIFBKRPB-IEBWSBKVSA-N 3 1 315.505 2.828 20 0 DFADMP O[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000631697966 400067905 /nfs/dbraw/zinc/06/79/05/400067905.db2.gz AHAPRMJFAFGWRN-NPYXIHBLSA-N 2 1 324.415 2.788 20 0 DFADMP c1csc(C[N@@H+](C[C@@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000631824574 400077816 /nfs/dbraw/zinc/07/78/16/400077816.db2.gz KHGIUVVKXWJAEB-LSDHHAIUSA-N 2 1 321.490 2.656 20 0 DFADMP c1csc(C[N@H+](C[C@@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000631824574 400077817 /nfs/dbraw/zinc/07/78/17/400077817.db2.gz KHGIUVVKXWJAEB-LSDHHAIUSA-N 2 1 321.490 2.656 20 0 DFADMP c1ccc(C[N@@H+](C[C@H]2CCCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000631823327 400077845 /nfs/dbraw/zinc/07/78/45/400077845.db2.gz BILQCRDWNDWZLF-ZWKOTPCHSA-N 2 1 303.450 2.595 20 0 DFADMP c1ccc(C[N@H+](C[C@H]2CCCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000631823327 400077846 /nfs/dbraw/zinc/07/78/46/400077846.db2.gz BILQCRDWNDWZLF-ZWKOTPCHSA-N 2 1 303.450 2.595 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826728 400077899 /nfs/dbraw/zinc/07/78/99/400077899.db2.gz WAINCLOECXDLPK-HUUCEWRRSA-N 2 1 304.438 2.549 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826728 400077900 /nfs/dbraw/zinc/07/79/00/400077900.db2.gz WAINCLOECXDLPK-HUUCEWRRSA-N 2 1 304.438 2.549 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c(C)n1 ZINC000631829551 400078198 /nfs/dbraw/zinc/07/81/98/400078198.db2.gz UBAHQPOUWMFEOO-LNLFQRSKSA-N 2 1 317.477 2.725 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000631837000 400078772 /nfs/dbraw/zinc/07/87/72/400078772.db2.gz LJJUBDRVXBBWDO-DOTOQJQBSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631841191 400079056 /nfs/dbraw/zinc/07/90/56/400079056.db2.gz ZLVAUZXYOYIHHS-AAEUAGOBSA-N 2 1 302.340 2.654 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000190794946 145867616 /nfs/dbraw/zinc/86/76/16/145867616.db2.gz HLKQWNVMHFYHBI-UHFFFAOYSA-N 2 1 302.466 2.502 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000432083230 543347853 /nfs/dbraw/zinc/34/78/53/543347853.db2.gz WGNPCDFRLQITRE-ZTFGCOKTSA-N 2 1 303.450 2.621 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000432083230 543347856 /nfs/dbraw/zinc/34/78/56/543347856.db2.gz WGNPCDFRLQITRE-ZTFGCOKTSA-N 2 1 303.450 2.621 20 0 DFADMP C[N@H+]1CCC[C@H]1CNCc1cc(F)cc(Br)c1 ZINC000226055187 146003763 /nfs/dbraw/zinc/00/37/63/146003763.db2.gz HHUWUBQWHCDYEP-ZDUSSCGKSA-N 2 1 301.203 2.772 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000236605913 146022145 /nfs/dbraw/zinc/02/21/45/146022145.db2.gz MDIOCMOLAFOTIB-CYBMUJFWSA-N 2 1 317.433 2.541 20 0 DFADMP C[C@@H](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000237561566 146046427 /nfs/dbraw/zinc/04/64/27/146046427.db2.gz QTRLXFDEVLUOJD-QFBILLFUSA-N 2 1 317.477 2.545 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245417235 146067958 /nfs/dbraw/zinc/06/79/58/146067958.db2.gz FVTSRNHLFANXEL-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245417235 146067959 /nfs/dbraw/zinc/06/79/59/146067959.db2.gz FVTSRNHLFANXEL-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245417235 146067961 /nfs/dbraw/zinc/06/79/61/146067961.db2.gz FVTSRNHLFANXEL-YOEHRIQHSA-N 2 1 321.440 2.816 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245422568 146069402 /nfs/dbraw/zinc/06/94/02/146069402.db2.gz IYFYFZIOFUAKGC-WMLDXEAASA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245422568 146069404 /nfs/dbraw/zinc/06/94/04/146069404.db2.gz IYFYFZIOFUAKGC-WMLDXEAASA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245422568 146069406 /nfs/dbraw/zinc/06/94/06/146069406.db2.gz IYFYFZIOFUAKGC-WMLDXEAASA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245422568 146069408 /nfs/dbraw/zinc/06/94/08/146069408.db2.gz IYFYFZIOFUAKGC-WMLDXEAASA-N 2 1 304.434 2.635 20 0 DFADMP C[C@@H](c1ccccc1F)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245428401 146069663 /nfs/dbraw/zinc/06/96/63/146069663.db2.gz MNEYRGKEOISRFR-DLBZAZTESA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245428401 146069666 /nfs/dbraw/zinc/06/96/66/146069666.db2.gz MNEYRGKEOISRFR-DLBZAZTESA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@H](C)C(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245673420 146092655 /nfs/dbraw/zinc/09/26/55/146092655.db2.gz FIOLLGILJSCZJF-CGTJXYLNSA-N 2 1 323.525 2.828 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000247004727 146158585 /nfs/dbraw/zinc/15/85/85/146158585.db2.gz LWPNBCSLJCJDOM-XDEPDNQISA-N 2 1 319.474 2.916 20 0 DFADMP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000247075474 146160259 /nfs/dbraw/zinc/16/02/59/146160259.db2.gz QLHMAVREELRQGM-BBWFWOEESA-N 2 1 317.477 2.594 20 0 DFADMP COc1cccc(N2CC[C@H](C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000247075520 146160416 /nfs/dbraw/zinc/16/04/16/146160416.db2.gz QLHMAVREELRQGM-ZACQAIPSSA-N 2 1 317.477 2.594 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000247108071 146162044 /nfs/dbraw/zinc/16/20/44/146162044.db2.gz QWEMRDQDBXJWLD-NVXWUHKLSA-N 2 1 320.481 2.690 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000247108071 146162047 /nfs/dbraw/zinc/16/20/47/146162047.db2.gz QWEMRDQDBXJWLD-NVXWUHKLSA-N 2 1 320.481 2.690 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000247154386 146163531 /nfs/dbraw/zinc/16/35/31/146163531.db2.gz TWFUYTAZFZBISV-SJLPKXTDSA-N 2 1 312.461 2.924 20 0 DFADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000247364967 146167590 /nfs/dbraw/zinc/16/75/90/146167590.db2.gz RAQAOHCHDNQBQH-APWZRJJASA-N 2 1 301.478 2.753 20 0 DFADMP CC[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248883680 146173910 /nfs/dbraw/zinc/17/39/10/146173910.db2.gz LLWNBZCXWRGDKF-AKHDSKFASA-N 2 1 302.462 2.933 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000249038456 146184189 /nfs/dbraw/zinc/18/41/89/146184189.db2.gz GKESKQXWQQGAHL-MFKWGIFDSA-N 2 1 314.473 2.648 20 0 DFADMP CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249091637 146187152 /nfs/dbraw/zinc/18/71/52/146187152.db2.gz NMUYFVYVFBWATI-OQIJWPOYSA-N 2 1 302.462 2.912 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccsc1 ZINC000453120320 543371102 /nfs/dbraw/zinc/37/11/02/543371102.db2.gz WLFYGTWOGPMJFB-MRXNPFEDSA-N 2 1 323.506 2.732 20 0 DFADMP C[N@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533426 146200511 /nfs/dbraw/zinc/20/05/11/146200511.db2.gz BRAASBWTQHSMHM-MOPGFXCFSA-N 2 1 300.446 2.664 20 0 DFADMP C[N@@H+](C[C@@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533426 146200512 /nfs/dbraw/zinc/20/05/12/146200512.db2.gz BRAASBWTQHSMHM-MOPGFXCFSA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533426 146200513 /nfs/dbraw/zinc/20/05/13/146200513.db2.gz BRAASBWTQHSMHM-MOPGFXCFSA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533426 146200514 /nfs/dbraw/zinc/20/05/14/146200514.db2.gz BRAASBWTQHSMHM-MOPGFXCFSA-N 2 1 300.446 2.664 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)CC2)cc1 ZINC000249838375 146207294 /nfs/dbraw/zinc/20/72/94/146207294.db2.gz FRBVEIGJGUBCGX-ZCNNSNEGSA-N 2 1 314.473 2.851 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253550190 146228196 /nfs/dbraw/zinc/22/81/96/146228196.db2.gz OAWMSBUWOXVCNZ-DFGXFYAUSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253550190 146228201 /nfs/dbraw/zinc/22/82/01/146228201.db2.gz OAWMSBUWOXVCNZ-DFGXFYAUSA-N 2 1 321.509 2.628 20 0 DFADMP C[NH+](C/C=C\C[N@@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000255034377 146231561 /nfs/dbraw/zinc/23/15/61/146231561.db2.gz ULLMJRKOLXRJIU-FPLPWBNLSA-N 2 1 324.472 2.682 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000261539618 146237634 /nfs/dbraw/zinc/23/76/34/146237634.db2.gz CWBACPSREQQLAT-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000261559729 146241363 /nfs/dbraw/zinc/24/13/63/146241363.db2.gz ZGXZLSPBKDJYIQ-PXTPFGJHSA-N 3 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000261559729 146241366 /nfs/dbraw/zinc/24/13/66/146241366.db2.gz ZGXZLSPBKDJYIQ-PXTPFGJHSA-N 2 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000261559729 146241369 /nfs/dbraw/zinc/24/13/69/146241369.db2.gz ZGXZLSPBKDJYIQ-PXTPFGJHSA-N 2 1 313.489 2.757 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261600627 146243905 /nfs/dbraw/zinc/24/39/05/146243905.db2.gz BPGCRKSCAYEQCA-STQMWFEESA-N 2 1 300.324 2.627 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261600627 146243908 /nfs/dbraw/zinc/24/39/08/146243908.db2.gz BPGCRKSCAYEQCA-STQMWFEESA-N 2 1 300.324 2.627 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000261710942 146264168 /nfs/dbraw/zinc/26/41/68/146264168.db2.gz PBTGIHRLJJOZKX-UHTWSYAYSA-N 2 1 310.825 2.526 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000261710942 146264172 /nfs/dbraw/zinc/26/41/72/146264172.db2.gz PBTGIHRLJJOZKX-UHTWSYAYSA-N 2 1 310.825 2.526 20 0 DFADMP NC1(c2noc(-c3ccc(Cn4ccnc4)cc3)n2)CCCC1 ZINC000261716507 146264888 /nfs/dbraw/zinc/26/48/88/146264888.db2.gz JFVWUJJXHCRFHF-UHFFFAOYSA-N 2 1 309.373 2.709 20 0 DFADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)s1 ZINC000261731758 146267511 /nfs/dbraw/zinc/26/75/11/146267511.db2.gz RIDUFKZXSRFJPE-AWEZNQCLSA-N 2 1 307.507 2.525 20 0 DFADMP O=C(C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000261751422 146270469 /nfs/dbraw/zinc/27/04/69/146270469.db2.gz CEQCDPYLOXJQDZ-WMLDXEAASA-N 2 1 304.409 2.863 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000261766569 146272832 /nfs/dbraw/zinc/27/28/32/146272832.db2.gz DJOJDRIKFQJABW-ZDUSSCGKSA-N 2 1 304.463 2.580 20 0 DFADMP C[C@@H]1CN(C[C@H]2CCC[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000261774088 146275146 /nfs/dbraw/zinc/27/51/46/146275146.db2.gz DYQJCQXKAMGNDV-AOIWGVFYSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000261813786 146281186 /nfs/dbraw/zinc/28/11/86/146281186.db2.gz PAZREYWIPSTHFI-CQSZACIVSA-N 2 1 302.340 2.755 20 0 DFADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000261837452 146286356 /nfs/dbraw/zinc/28/63/56/146286356.db2.gz ZIVAYZOQYPSNFV-MRXNPFEDSA-N 2 1 304.825 2.696 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000261837452 146286358 /nfs/dbraw/zinc/28/63/58/146286358.db2.gz ZIVAYZOQYPSNFV-MRXNPFEDSA-N 2 1 304.825 2.696 20 0 DFADMP COc1ccc(CC[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261844749 146287618 /nfs/dbraw/zinc/28/76/18/146287618.db2.gz USDZQJNYYXQUSF-QUCCMNQESA-N 2 1 310.441 2.912 20 0 DFADMP C[C@@]1(C[NH+]2CCC(C(=O)c3cc(F)ccc3F)CC2)CC[NH2+]C1 ZINC000261906067 146298922 /nfs/dbraw/zinc/29/89/22/146298922.db2.gz XABVLCDKTNTJOH-GOSISDBHSA-N 2 1 322.399 2.859 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000261916813 146301633 /nfs/dbraw/zinc/30/16/33/146301633.db2.gz HCECPJICVQOSGL-CQSZACIVSA-N 2 1 323.868 2.956 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000261916813 146301637 /nfs/dbraw/zinc/30/16/37/146301637.db2.gz HCECPJICVQOSGL-CQSZACIVSA-N 2 1 323.868 2.956 20 0 DFADMP c1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261933513 146304010 /nfs/dbraw/zinc/30/40/10/146304010.db2.gz MABSVCCTXMJAEW-ZACQAIPSSA-N 2 1 306.475 2.525 20 0 DFADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929068 146304088 /nfs/dbraw/zinc/30/40/88/146304088.db2.gz CNGRGHGJPYGAGJ-WMZOPIPTSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929068 146304092 /nfs/dbraw/zinc/30/40/92/146304092.db2.gz CNGRGHGJPYGAGJ-WMZOPIPTSA-N 2 1 304.434 2.840 20 0 DFADMP O=C(NC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261944548 146307408 /nfs/dbraw/zinc/30/74/08/146307408.db2.gz VJCRODQKEYZXTE-ZWKOTPCHSA-N 2 1 321.509 2.537 20 0 DFADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261946206 146307729 /nfs/dbraw/zinc/30/77/29/146307729.db2.gz MFQWVIPFPBEPIM-HOCLYGCPSA-N 2 1 323.868 2.578 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3cc(C(F)(F)F)n[nH]3)C2)CC[NH2+]C1 ZINC000261964114 146309919 /nfs/dbraw/zinc/30/99/19/146309919.db2.gz HOOLKLQDQGQYHS-BXUZGUMPSA-N 2 1 316.371 2.608 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000261971492 146313354 /nfs/dbraw/zinc/31/33/54/146313354.db2.gz DJZZTLDBRBREMR-ZDUSSCGKSA-N 2 1 314.433 2.718 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H]2C[C@@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977866 146313872 /nfs/dbraw/zinc/31/38/72/146313872.db2.gz IXLUWVNNPMVQIA-KURKYZTESA-N 2 1 306.425 2.713 20 0 DFADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000261987392 146316766 /nfs/dbraw/zinc/31/67/66/146316766.db2.gz BAJDACCXUXGBST-UKRRQHHQSA-N 2 1 300.402 2.518 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262025674 146323830 /nfs/dbraw/zinc/32/38/30/146323830.db2.gz WZXJPNAQNRCZQD-OKYOBFRVSA-N 2 1 300.446 2.811 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262029862 146324545 /nfs/dbraw/zinc/32/45/45/146324545.db2.gz BJORTWMFGHTXNC-HUUCEWRRSA-N 2 1 315.461 2.713 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000262041482 146326015 /nfs/dbraw/zinc/32/60/15/146326015.db2.gz BYRUUNYHTNHXMF-UHFFFAOYSA-N 2 1 323.868 2.908 20 0 DFADMP CCc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262052660 146327489 /nfs/dbraw/zinc/32/74/89/146327489.db2.gz ZUFMKEONXUTNBE-GUDVDZBRSA-N 2 1 302.462 2.538 20 0 DFADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262044756 146327772 /nfs/dbraw/zinc/32/77/72/146327772.db2.gz YYGYEOWTTYHECH-IPMKNSEASA-N 2 1 318.461 2.721 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000262368633 146354270 /nfs/dbraw/zinc/35/42/70/146354270.db2.gz XGUWLVGKWRPIRK-IXDOHACOSA-N 2 1 304.434 2.714 20 0 DFADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000262562280 146372634 /nfs/dbraw/zinc/37/26/34/146372634.db2.gz VTDTYMWFMUDPJY-ZDUSSCGKSA-N 2 1 314.376 2.871 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1ccccc1)C1(CO)CCCC1 ZINC000459544301 543394128 /nfs/dbraw/zinc/39/41/28/543394128.db2.gz NOIBQWYELKJBER-GOSISDBHSA-N 2 1 313.445 2.846 20 0 DFADMP c1nc(C2CC2)c(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000487322830 543401428 /nfs/dbraw/zinc/40/14/28/543401428.db2.gz RIJAGHLOQZLLFT-CYBMUJFWSA-N 2 1 321.490 2.611 20 0 DFADMP CCOC(=O)c1coc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000354561820 147079453 /nfs/dbraw/zinc/07/94/53/147079453.db2.gz FDWXGIMBVKVFSJ-UHFFFAOYSA-N 2 1 316.401 2.808 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355282779 147251037 /nfs/dbraw/zinc/25/10/37/147251037.db2.gz SBGGVIBBEKEUBW-SJORKVTESA-N 2 1 323.525 2.687 20 0 DFADMP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000355407335 147303619 /nfs/dbraw/zinc/30/36/19/147303619.db2.gz ZOXAACBBAOUKRH-CQSZACIVSA-N 2 1 300.406 2.846 20 0 DFADMP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@H]2C)cn2cc[nH+]c12 ZINC000355407335 147303620 /nfs/dbraw/zinc/30/36/20/147303620.db2.gz ZOXAACBBAOUKRH-CQSZACIVSA-N 2 1 300.406 2.846 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](CCc2ccccc2F)CC1 ZINC000355648488 147396879 /nfs/dbraw/zinc/39/68/79/147396879.db2.gz IVMFFCBASVRELV-UHFFFAOYSA-N 2 1 315.392 2.594 20 0 DFADMP COC[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094108 543460016 /nfs/dbraw/zinc/46/00/16/543460016.db2.gz BJGTVVOVIZOGFM-UHOSZYNNSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094108 543460018 /nfs/dbraw/zinc/46/00/18/543460018.db2.gz BJGTVVOVIZOGFM-UHOSZYNNSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094108 543460019 /nfs/dbraw/zinc/46/00/19/543460019.db2.gz BJGTVVOVIZOGFM-UHOSZYNNSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094108 543460021 /nfs/dbraw/zinc/46/00/21/543460021.db2.gz BJGTVVOVIZOGFM-UHOSZYNNSA-N 2 1 320.477 2.633 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000357787217 148122381 /nfs/dbraw/zinc/12/23/81/148122381.db2.gz GKPGXPCSVBVQEB-ZHALLVOQSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000357807246 148131309 /nfs/dbraw/zinc/13/13/09/148131309.db2.gz BVGYQPUGFDANGG-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000358080014 148235850 /nfs/dbraw/zinc/23/58/50/148235850.db2.gz FIOMLEDKUSDJLJ-MGPQQGTHSA-N 2 1 321.852 2.518 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000358080014 148235853 /nfs/dbraw/zinc/23/58/53/148235853.db2.gz FIOMLEDKUSDJLJ-MGPQQGTHSA-N 2 1 321.852 2.518 20 0 DFADMP CO[C@](C)(C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000638006216 543496486 /nfs/dbraw/zinc/49/64/86/543496486.db2.gz GDNPIUFQWDGCKQ-CRAIPNDOSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000638006216 543496489 /nfs/dbraw/zinc/49/64/89/543496489.db2.gz GDNPIUFQWDGCKQ-CRAIPNDOSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@](C)(C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000638006215 543496678 /nfs/dbraw/zinc/49/66/78/543496678.db2.gz GBFSGSIZJNSXTF-YJBOKZPZSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000638006215 543496679 /nfs/dbraw/zinc/49/66/79/543496679.db2.gz GBFSGSIZJNSXTF-YJBOKZPZSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1ccc([C@@H](C[NH+]2CCOCC2)Nc2cc[nH+]c(C)c2)cc1 ZINC000358124861 148252617 /nfs/dbraw/zinc/25/26/17/148252617.db2.gz LRVFDQNWAUGLTE-LJQANCHMSA-N 2 1 311.429 2.606 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000358193444 148280439 /nfs/dbraw/zinc/28/04/39/148280439.db2.gz YLYZLFMNWUXMJX-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000358193444 148280442 /nfs/dbraw/zinc/28/04/42/148280442.db2.gz YLYZLFMNWUXMJX-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000358193444 148280444 /nfs/dbraw/zinc/28/04/44/148280444.db2.gz YLYZLFMNWUXMJX-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC000358228294 148293967 /nfs/dbraw/zinc/29/39/67/148293967.db2.gz FJIIDPYFFYHLNG-UWJYYQICSA-N 2 1 324.468 2.863 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC000358228294 148293971 /nfs/dbraw/zinc/29/39/71/148293971.db2.gz FJIIDPYFFYHLNG-UWJYYQICSA-N 2 1 324.468 2.863 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358315124 148326895 /nfs/dbraw/zinc/32/68/95/148326895.db2.gz GITNHLUONGBNBJ-XJKSGUPXSA-N 2 1 319.474 2.945 20 0 DFADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)C1 ZINC000656435989 543516488 /nfs/dbraw/zinc/51/64/88/543516488.db2.gz ARNFSJRLTHDNJK-FQEVSTJZSA-N 2 1 313.489 2.776 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)C1 ZINC000656435989 543516492 /nfs/dbraw/zinc/51/64/92/543516492.db2.gz ARNFSJRLTHDNJK-FQEVSTJZSA-N 2 1 313.489 2.776 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000660007456 543524322 /nfs/dbraw/zinc/52/43/22/543524322.db2.gz KPFMSPMWNJCFRJ-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000660007456 543524325 /nfs/dbraw/zinc/52/43/25/543524325.db2.gz KPFMSPMWNJCFRJ-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000361176901 149047666 /nfs/dbraw/zinc/04/76/66/149047666.db2.gz XTXNAXBJVKWJQR-DLBZAZTESA-N 2 1 317.477 2.541 20 0 DFADMP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C(F)F)n1 ZINC000361181283 149048859 /nfs/dbraw/zinc/04/88/59/149048859.db2.gz ZHSVWOKUOPIEGW-UHFFFAOYSA-N 2 1 312.408 2.666 20 0 DFADMP CCC[C@H](C)[C@@H](CC)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361341580 149090451 /nfs/dbraw/zinc/09/04/51/149090451.db2.gz PLQNBCUYBZHVJZ-DOTOQJQBSA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000361397894 149104281 /nfs/dbraw/zinc/10/42/81/149104281.db2.gz OOKAQROEDNELCC-UHFFFAOYSA-N 2 1 320.481 2.635 20 0 DFADMP CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@H](C)C2)cn1 ZINC000361562203 149148959 /nfs/dbraw/zinc/14/89/59/149148959.db2.gz APJGCWBZNUHCDH-NVXWUHKLSA-N 2 1 304.482 2.842 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350948412 286101225 /nfs/dbraw/zinc/10/12/25/286101225.db2.gz ICIBEHVDFHHFHV-CQSZACIVSA-N 2 1 321.440 2.735 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)CC ZINC000362630198 149329020 /nfs/dbraw/zinc/32/90/20/149329020.db2.gz GNZIKGYFLLCKBN-MRXNPFEDSA-N 2 1 311.514 2.687 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000362651926 149334382 /nfs/dbraw/zinc/33/43/82/149334382.db2.gz QDZKSFGKLIXVSJ-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccn(C)n2)CC1 ZINC000362651926 149334386 /nfs/dbraw/zinc/33/43/86/149334386.db2.gz QDZKSFGKLIXVSJ-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2cccs2)n1 ZINC000362652260 149334559 /nfs/dbraw/zinc/33/45/59/149334559.db2.gz CSNKTKIJEKKVCH-GJZGRUSLSA-N 2 1 316.474 2.865 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2cccs2)n1 ZINC000362652260 149334562 /nfs/dbraw/zinc/33/45/62/149334562.db2.gz CSNKTKIJEKKVCH-GJZGRUSLSA-N 2 1 316.474 2.865 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1C ZINC000350954200 286101954 /nfs/dbraw/zinc/10/19/54/286101954.db2.gz YHHJJVHGXYBGRI-UHFFFAOYSA-N 2 1 303.450 2.516 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)cc2)cn1 ZINC000362925521 149399088 /nfs/dbraw/zinc/39/90/88/149399088.db2.gz JVCDUAZNIZOUJG-YZGWKJHDSA-N 2 1 322.456 2.788 20 0 DFADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)cc2)cn1 ZINC000362925521 149399092 /nfs/dbraw/zinc/39/90/92/149399092.db2.gz JVCDUAZNIZOUJG-YZGWKJHDSA-N 2 1 322.456 2.788 20 0 DFADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)cc2)cn1 ZINC000362925521 149399098 /nfs/dbraw/zinc/39/90/98/149399098.db2.gz JVCDUAZNIZOUJG-YZGWKJHDSA-N 2 1 322.456 2.788 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(Cc2cccc(F)c2)CC1)C1CC1 ZINC000351340938 286122305 /nfs/dbraw/zinc/12/23/05/286122305.db2.gz OZHKEPAQIRGNNQ-LJQANCHMSA-N 2 1 320.452 2.535 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Cc2cccc(F)c2)CC1)C1CC1 ZINC000351340938 286122307 /nfs/dbraw/zinc/12/23/07/286122307.db2.gz OZHKEPAQIRGNNQ-LJQANCHMSA-N 2 1 320.452 2.535 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@@H]12 ZINC000351473212 286128861 /nfs/dbraw/zinc/12/88/61/286128861.db2.gz CNWFLZYINKQFOO-NJZAAPMLSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@@H]12 ZINC000351473212 286128864 /nfs/dbraw/zinc/12/88/64/286128864.db2.gz CNWFLZYINKQFOO-NJZAAPMLSA-N 2 1 301.365 2.650 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351477989 286130319 /nfs/dbraw/zinc/13/03/19/286130319.db2.gz OINGVJIKHORXHX-HUHSQHJXSA-N 2 1 323.440 2.836 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351477989 286130321 /nfs/dbraw/zinc/13/03/21/286130321.db2.gz OINGVJIKHORXHX-HUHSQHJXSA-N 2 1 323.440 2.836 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351488457 286133246 /nfs/dbraw/zinc/13/32/46/286133246.db2.gz FPNVTJDKKXDJBH-XPCVCDNBSA-N 2 1 321.852 2.645 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351488457 286133249 /nfs/dbraw/zinc/13/32/49/286133249.db2.gz FPNVTJDKKXDJBH-XPCVCDNBSA-N 2 1 321.852 2.645 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351525850 286143806 /nfs/dbraw/zinc/14/38/06/286143806.db2.gz VOEXNFACROJOSZ-RTBURBONSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351525850 286143808 /nfs/dbraw/zinc/14/38/08/286143808.db2.gz VOEXNFACROJOSZ-RTBURBONSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351525850 286143810 /nfs/dbraw/zinc/14/38/10/286143810.db2.gz VOEXNFACROJOSZ-RTBURBONSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351525850 286143812 /nfs/dbraw/zinc/14/38/12/286143812.db2.gz VOEXNFACROJOSZ-RTBURBONSA-N 2 1 322.468 2.780 20 0 DFADMP Cc1ccc([C@H]2CCCCCN2C[C@H](O)C[N@H+](C)C2CC2)o1 ZINC000351512619 286140430 /nfs/dbraw/zinc/14/04/30/286140430.db2.gz HJNNTZVRFRDVIJ-IAGOWNOFSA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@H]2CCCCC[N@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351512619 286140431 /nfs/dbraw/zinc/14/04/31/286140431.db2.gz HJNNTZVRFRDVIJ-IAGOWNOFSA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@H]2CCCCC[N@@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351512619 286140434 /nfs/dbraw/zinc/14/04/34/286140434.db2.gz HJNNTZVRFRDVIJ-IAGOWNOFSA-N 2 1 306.450 2.960 20 0 DFADMP O[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371196059 150001260 /nfs/dbraw/zinc/00/12/60/150001260.db2.gz BPOKYCBBLWLROF-PMACEKPBSA-N 2 1 316.489 2.788 20 0 DFADMP Cc1ccccc1OCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371295681 150017982 /nfs/dbraw/zinc/01/79/82/150017982.db2.gz UHWSJEPUDPKHRE-JENIJYKNSA-N 2 1 318.461 2.557 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC[C@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322050 150022307 /nfs/dbraw/zinc/02/23/07/150022307.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 1 305.510 2.667 20 0 DFADMP C[NH+](C[C@@H]1CC12CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC2)C1CC1 ZINC000371322050 150022312 /nfs/dbraw/zinc/02/23/12/150022312.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 1 305.510 2.667 20 0 DFADMP C[NH+](C[C@@H]1CC12CC[NH+](CC[C@H]1CCC[N@H+]1C)CC2)C1CC1 ZINC000371322050 150022315 /nfs/dbraw/zinc/02/23/15/150022315.db2.gz VOKNMIMVMTUVSE-DLBZAZTESA-N 2 1 305.510 2.667 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329037 150023667 /nfs/dbraw/zinc/02/36/67/150023667.db2.gz CDMLBLJFAKBCBO-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329037 150023670 /nfs/dbraw/zinc/02/36/70/150023670.db2.gz CDMLBLJFAKBCBO-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329037 150023673 /nfs/dbraw/zinc/02/36/73/150023673.db2.gz CDMLBLJFAKBCBO-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329037 150023676 /nfs/dbraw/zinc/02/36/76/150023676.db2.gz CDMLBLJFAKBCBO-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000371429398 150045698 /nfs/dbraw/zinc/04/56/98/150045698.db2.gz DBQRXGDJDJPVAJ-ROUUACIJSA-N 2 1 310.445 2.804 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H](C)C1 ZINC000371446231 150047321 /nfs/dbraw/zinc/04/73/21/150047321.db2.gz CBFORYHLJWZCFL-TWRYWWQQSA-N 2 1 306.454 2.724 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000351580369 286159336 /nfs/dbraw/zinc/15/93/36/286159336.db2.gz LSAMKLAFUFHKDH-SJORKVTESA-N 2 1 308.853 2.836 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000351580369 286159339 /nfs/dbraw/zinc/15/93/39/286159339.db2.gz LSAMKLAFUFHKDH-SJORKVTESA-N 2 1 308.853 2.836 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877200 150107682 /nfs/dbraw/zinc/10/76/82/150107682.db2.gz TXIXNKKAEKXWEY-RHSMWYFYSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C1(c2ccccc2)CCCC1 ZINC000351583679 286159690 /nfs/dbraw/zinc/15/96/90/286159690.db2.gz VESVIGCPJNGKHW-APWZRJJASA-N 2 1 316.489 2.932 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C1(c2ccccc2)CCCC1 ZINC000351583679 286159693 /nfs/dbraw/zinc/15/96/93/286159693.db2.gz VESVIGCPJNGKHW-APWZRJJASA-N 2 1 316.489 2.932 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000371889662 150110222 /nfs/dbraw/zinc/11/02/22/150110222.db2.gz ZCAYLMYUYZSXEI-XWSJACJDSA-N 2 1 324.509 2.815 20 0 DFADMP Cn1ccnc1CC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000372018756 150126202 /nfs/dbraw/zinc/12/62/02/150126202.db2.gz KYUGNEQXSIKKII-QGZVFWFLSA-N 2 1 304.482 2.549 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000372064236 150132566 /nfs/dbraw/zinc/13/25/66/150132566.db2.gz ADAONBXWJAIORQ-ZCNNSNEGSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000372064236 150132567 /nfs/dbraw/zinc/13/25/67/150132567.db2.gz ADAONBXWJAIORQ-ZCNNSNEGSA-N 2 1 314.473 2.769 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000372097820 150136703 /nfs/dbraw/zinc/13/67/03/150136703.db2.gz CYEBOEJKDQHZOK-HIFRSBDPSA-N 2 1 321.490 2.519 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000372098239 150137163 /nfs/dbraw/zinc/13/71/63/150137163.db2.gz HXPZTXPAAJOXBR-RHSMWYFYSA-N 2 1 323.506 2.766 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000372180489 150146101 /nfs/dbraw/zinc/14/61/01/150146101.db2.gz JNPSZOZPRUQYOD-VQIMIIECSA-N 2 1 302.462 2.843 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000372180489 150146102 /nfs/dbraw/zinc/14/61/02/150146102.db2.gz JNPSZOZPRUQYOD-VQIMIIECSA-N 2 1 302.462 2.843 20 0 DFADMP Cc1ccc(C)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372364069 150168427 /nfs/dbraw/zinc/16/84/27/150168427.db2.gz DERZILQEPDIMPI-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP Cc1ccc(F)cc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372459837 150175873 /nfs/dbraw/zinc/17/58/73/150175873.db2.gz JKPLDSVNKITVDS-IBGZPJMESA-N 2 1 319.468 2.734 20 0 DFADMP Cc1nnc([C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000372949020 150206086 /nfs/dbraw/zinc/20/60/86/150206086.db2.gz SBBWILGIPJZACH-CYBMUJFWSA-N 2 1 315.421 2.682 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000373200461 150245268 /nfs/dbraw/zinc/24/52/68/150245268.db2.gz FWOVIDNYMHZRPJ-SFHVURJKSA-N 2 1 317.408 2.704 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000373200461 150245271 /nfs/dbraw/zinc/24/52/71/150245271.db2.gz FWOVIDNYMHZRPJ-SFHVURJKSA-N 2 1 317.408 2.704 20 0 DFADMP CO[C@H]1CC[C@H]([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000373762958 150254029 /nfs/dbraw/zinc/25/40/29/150254029.db2.gz KXIBSCNGSLKKQK-STQMWFEESA-N 2 1 309.479 2.567 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374173279 150316469 /nfs/dbraw/zinc/31/64/69/150316469.db2.gz MVEGEHCMUWLQOP-BZZMCLGOSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000374173279 150316472 /nfs/dbraw/zinc/31/64/72/150316472.db2.gz MVEGEHCMUWLQOP-BZZMCLGOSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1cccc(C2CC([NH2+]CCN3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000374231897 150326494 /nfs/dbraw/zinc/32/64/94/150326494.db2.gz SIIBUCAHFIVIRI-UHFFFAOYSA-N 2 1 315.505 2.857 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000374257357 150330709 /nfs/dbraw/zinc/33/07/09/150330709.db2.gz DQNLCCWIZRTAFK-GOSISDBHSA-N 2 1 315.505 2.720 20 0 DFADMP Cc1nnc([C@H](C)[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)o1 ZINC000374296404 150339101 /nfs/dbraw/zinc/33/91/01/150339101.db2.gz NQUQKFOQIDTHSJ-GXTWGEPZSA-N 2 1 304.438 2.635 20 0 DFADMP Cc1nnc([C@H](C)[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)o1 ZINC000374296404 150339103 /nfs/dbraw/zinc/33/91/03/150339103.db2.gz NQUQKFOQIDTHSJ-GXTWGEPZSA-N 2 1 304.438 2.635 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)o1 ZINC000374347953 150349509 /nfs/dbraw/zinc/34/95/09/150349509.db2.gz FPMKXHCTQWNLNU-BQFCYCMXSA-N 2 1 318.461 2.947 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000351779657 286216743 /nfs/dbraw/zinc/21/67/43/286216743.db2.gz CFGOZUWLPKICST-BBWFWOEESA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857456 286233120 /nfs/dbraw/zinc/23/31/20/286233120.db2.gz BMALPNVHIOQEDT-DGCLKSJQSA-N 2 1 320.824 2.602 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857425 286233274 /nfs/dbraw/zinc/23/32/74/286233274.db2.gz BEWOVQZKKAOYKV-HOCLYGCPSA-N 2 1 311.429 2.838 20 0 DFADMP C[NH+](C)Cc1cnc(CN[C@@H](C[NH+](C)C)c2ccccc2)s1 ZINC000352255921 286330026 /nfs/dbraw/zinc/33/00/26/286330026.db2.gz DLYKFWWGNHSJED-INIZCTEOSA-N 2 1 318.490 2.597 20 0 DFADMP C[NH+](C)Cc1cnc(CN[C@H](C[NH+](C)C)c2ccccc2)s1 ZINC000352255922 286330083 /nfs/dbraw/zinc/33/00/83/286330083.db2.gz DLYKFWWGNHSJED-MRXNPFEDSA-N 2 1 318.490 2.597 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@]1(C)CCCO1 ZINC000428210930 296684688 /nfs/dbraw/zinc/68/46/88/296684688.db2.gz WIUUQONXHXDBDD-VQIMIIECSA-N 2 1 318.461 2.566 20 0 DFADMP CC1CCC(N(C(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])C2CC2)CC1 ZINC000352488872 286386499 /nfs/dbraw/zinc/38/64/99/286386499.db2.gz VRGKZFVLBVHBKP-AQFXKWCLSA-N 2 1 321.509 2.759 20 0 DFADMP CC1CCC(N(C(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])C2CC2)CC1 ZINC000352488872 286386500 /nfs/dbraw/zinc/38/65/00/286386500.db2.gz VRGKZFVLBVHBKP-AQFXKWCLSA-N 2 1 321.509 2.759 20 0 DFADMP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352503601 286390947 /nfs/dbraw/zinc/39/09/47/286390947.db2.gz HZHAVVXVPRLEHO-QAPCUYQASA-N 2 1 317.477 2.630 20 0 DFADMP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352503601 286390950 /nfs/dbraw/zinc/39/09/50/286390950.db2.gz HZHAVVXVPRLEHO-QAPCUYQASA-N 2 1 317.477 2.630 20 0 DFADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(Cl)cn1)CC1CCCC1 ZINC000352511554 286393778 /nfs/dbraw/zinc/39/37/78/286393778.db2.gz SEHDGXTUKUXQCZ-UHFFFAOYSA-N 2 1 324.856 2.515 20 0 DFADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(Cl)cn1)CC1CCCC1 ZINC000352511554 286393779 /nfs/dbraw/zinc/39/37/79/286393779.db2.gz SEHDGXTUKUXQCZ-UHFFFAOYSA-N 2 1 324.856 2.515 20 0 DFADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352507842 286392458 /nfs/dbraw/zinc/39/24/58/286392458.db2.gz DJAUZMFGMYHTAK-BBRMVZONSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352507842 286392460 /nfs/dbraw/zinc/39/24/60/286392460.db2.gz DJAUZMFGMYHTAK-BBRMVZONSA-N 2 1 323.868 2.721 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@](C)(CO)C2CCCCC2)s1 ZINC000352778594 286464956 /nfs/dbraw/zinc/46/49/56/286464956.db2.gz VXUKVXKRSZEYCK-MRXNPFEDSA-N 2 1 311.495 2.626 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]C2CC(OC(C)(C)C)C2)CC1 ZINC000352782582 286466528 /nfs/dbraw/zinc/46/65/28/286466528.db2.gz IGBXTVQMJWNFBL-UHFFFAOYSA-N 2 1 312.498 2.812 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182562662 158004849 /nfs/dbraw/zinc/00/48/49/158004849.db2.gz PDNWQVLDBHFSPA-BLMTVLTRSA-N 2 1 313.489 2.990 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273093 158082971 /nfs/dbraw/zinc/08/29/71/158082971.db2.gz SAIJACLOQKRIPG-SUMWQHHRSA-N 2 1 322.424 2.774 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273093 158082975 /nfs/dbraw/zinc/08/29/75/158082975.db2.gz SAIJACLOQKRIPG-SUMWQHHRSA-N 2 1 322.424 2.774 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273093 158082976 /nfs/dbraw/zinc/08/29/76/158082976.db2.gz SAIJACLOQKRIPG-SUMWQHHRSA-N 2 1 322.424 2.774 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273093 158082980 /nfs/dbraw/zinc/08/29/80/158082980.db2.gz SAIJACLOQKRIPG-SUMWQHHRSA-N 2 1 322.424 2.774 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000246433331 158091401 /nfs/dbraw/zinc/09/14/01/158091401.db2.gz CSPOKGNKBPTMOP-ZOCIIQOWSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000246433331 158091404 /nfs/dbraw/zinc/09/14/04/158091404.db2.gz CSPOKGNKBPTMOP-ZOCIIQOWSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1F ZINC000246433331 158091406 /nfs/dbraw/zinc/09/14/06/158091406.db2.gz CSPOKGNKBPTMOP-ZOCIIQOWSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1F ZINC000246433331 158091408 /nfs/dbraw/zinc/09/14/08/158091408.db2.gz CSPOKGNKBPTMOP-ZOCIIQOWSA-N 2 1 318.436 2.808 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)c(C)n2n1 ZINC000246461270 158092699 /nfs/dbraw/zinc/09/26/99/158092699.db2.gz PWXUKXOOAGUMFJ-CWRNSKLLSA-N 2 1 315.465 2.870 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000246835303 158102479 /nfs/dbraw/zinc/10/24/79/158102479.db2.gz DCEYZRXCPIUUSW-BBWFWOEESA-N 2 1 323.525 2.589 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3ccc(OC)cc32)C1 ZINC000246882368 158103937 /nfs/dbraw/zinc/10/39/37/158103937.db2.gz DZPXPUAGGRHCAQ-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246948613 158107159 /nfs/dbraw/zinc/10/71/59/158107159.db2.gz IDFFYRANPPCONS-ZIFCJYIRSA-N 2 1 318.509 2.612 20 0 DFADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246948613 158107160 /nfs/dbraw/zinc/10/71/60/158107160.db2.gz IDFFYRANPPCONS-ZIFCJYIRSA-N 2 1 318.509 2.612 20 0 DFADMP CC[C@H](C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246948613 158107161 /nfs/dbraw/zinc/10/71/61/158107161.db2.gz IDFFYRANPPCONS-ZIFCJYIRSA-N 2 1 318.509 2.612 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)C1 ZINC000246947354 158107413 /nfs/dbraw/zinc/10/74/13/158107413.db2.gz HXBYOIBAEXOJHZ-VTJXTGGHSA-N 2 1 308.491 2.807 20 0 DFADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246994113 158112618 /nfs/dbraw/zinc/11/26/18/158112618.db2.gz WOQIXICFMISRIV-DFQSSKMNSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246994113 158112623 /nfs/dbraw/zinc/11/26/23/158112623.db2.gz WOQIXICFMISRIV-DFQSSKMNSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246994113 158112626 /nfs/dbraw/zinc/11/26/26/158112626.db2.gz WOQIXICFMISRIV-DFQSSKMNSA-N 2 1 314.473 2.977 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039125 158115684 /nfs/dbraw/zinc/11/56/84/158115684.db2.gz RBNYWZUHCKAIMQ-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039125 158115686 /nfs/dbraw/zinc/11/56/86/158115686.db2.gz RBNYWZUHCKAIMQ-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039125 158115688 /nfs/dbraw/zinc/11/56/88/158115688.db2.gz RBNYWZUHCKAIMQ-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247058601 158116357 /nfs/dbraw/zinc/11/63/57/158116357.db2.gz PJYPKWUNIGHRPC-YOEHRIQHSA-N 2 1 306.450 2.566 20 0 DFADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000247171162 158120986 /nfs/dbraw/zinc/12/09/86/158120986.db2.gz URCUNHYEHWINFW-WMLDXEAASA-N 2 1 303.450 2.998 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000247224949 158123293 /nfs/dbraw/zinc/12/32/93/158123293.db2.gz XXEUJFPPZGLXAC-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3F)CC[C@H]21 ZINC000247972024 158154550 /nfs/dbraw/zinc/15/45/50/158154550.db2.gz JRWMIQPWMJTTRD-RHSMWYFYSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3F)CC[C@H]21 ZINC000247972024 158154551 /nfs/dbraw/zinc/15/45/51/158154551.db2.gz JRWMIQPWMJTTRD-RHSMWYFYSA-N 2 1 319.424 2.570 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@H](N[C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000248040101 158158177 /nfs/dbraw/zinc/15/81/77/158158177.db2.gz SOIMMZWBJUBDSD-RVKKMQEKSA-N 2 1 313.449 2.647 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000248198531 158165104 /nfs/dbraw/zinc/16/51/04/158165104.db2.gz XVZXXVMGTVPMBD-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000248198531 158165107 /nfs/dbraw/zinc/16/51/07/158165107.db2.gz XVZXXVMGTVPMBD-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000248198531 158165109 /nfs/dbraw/zinc/16/51/09/158165109.db2.gz XVZXXVMGTVPMBD-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000248198531 158165111 /nfs/dbraw/zinc/16/51/11/158165111.db2.gz XVZXXVMGTVPMBD-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000248198531 158165113 /nfs/dbraw/zinc/16/51/13/158165113.db2.gz XVZXXVMGTVPMBD-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248395299 158171719 /nfs/dbraw/zinc/17/17/19/158171719.db2.gz GGAVIIJAEMBEMR-GDAAHCPNSA-N 2 1 302.462 2.505 20 0 DFADMP C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248395300 158172226 /nfs/dbraw/zinc/17/22/26/158172226.db2.gz GGAVIIJAEMBEMR-JCHJZTRSSA-N 2 1 302.462 2.505 20 0 DFADMP c1cn(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248410564 158173975 /nfs/dbraw/zinc/17/39/75/158173975.db2.gz YDMPTQOCRNZBNN-XUVXKRRUSA-N 2 1 324.472 2.773 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(CCC(=O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248552260 158183627 /nfs/dbraw/zinc/18/36/27/158183627.db2.gz JAYLGXRVFHCMMH-SUMWQHHRSA-N 2 1 322.399 2.954 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000248597793 158188521 /nfs/dbraw/zinc/18/85/21/158188521.db2.gz UEJMUPWSNWHVRY-NEWSRXKRSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000248597793 158188522 /nfs/dbraw/zinc/18/85/22/158188522.db2.gz UEJMUPWSNWHVRY-NEWSRXKRSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000248597793 158188523 /nfs/dbraw/zinc/18/85/23/158188523.db2.gz UEJMUPWSNWHVRY-NEWSRXKRSA-N 2 1 304.478 2.642 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248627821 158191335 /nfs/dbraw/zinc/19/13/35/158191335.db2.gz FSNRUUGKPDLDJO-WZGPROSRSA-N 2 1 301.478 2.894 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248652810 158194620 /nfs/dbraw/zinc/19/46/20/158194620.db2.gz YKPORBWMBCVVTD-QXRCTJGESA-N 2 1 314.473 2.814 20 0 DFADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248742930 158198603 /nfs/dbraw/zinc/19/86/03/158198603.db2.gz ALQSMHUSKAKZTP-XWIXUBGPSA-N 2 1 306.425 2.853 20 0 DFADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000248827392 158202886 /nfs/dbraw/zinc/20/28/86/158202886.db2.gz DGNUVCQUAIFKPL-BHIYHBOVSA-N 2 1 302.462 2.566 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1C[C@@H](C)N(Cc2ccccc2)C1 ZINC000268782189 158209244 /nfs/dbraw/zinc/20/92/44/158209244.db2.gz DHLXUYQNVPHNJW-APWZRJJASA-N 2 1 312.461 2.834 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000355101941 158274854 /nfs/dbraw/zinc/27/48/54/158274854.db2.gz IJTSPRIWGRHPLT-QZTJIDSGSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000355101941 158274857 /nfs/dbraw/zinc/27/48/57/158274857.db2.gz IJTSPRIWGRHPLT-QZTJIDSGSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000355101941 158274860 /nfs/dbraw/zinc/27/48/60/158274860.db2.gz IJTSPRIWGRHPLT-QZTJIDSGSA-N 2 1 323.525 2.878 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358506367 158383418 /nfs/dbraw/zinc/38/34/18/158383418.db2.gz JPCFZSPUHLAOSN-UHFFFAOYSA-N 2 1 318.461 2.930 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358513800 158384504 /nfs/dbraw/zinc/38/45/04/158384504.db2.gz WJTFARMIOBOROI-UHFFFAOYSA-N 2 1 315.461 2.824 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(C(C)(C)C)s2)CC1(C)C ZINC000441363747 297180832 /nfs/dbraw/zinc/18/08/32/297180832.db2.gz XGMQIEMXOJOZCK-UHFFFAOYSA-N 2 1 324.538 2.556 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1N(C)C ZINC000369443733 287061418 /nfs/dbraw/zinc/06/14/18/287061418.db2.gz QRBYHMGFLASVAP-TZMCWYRMSA-N 2 1 302.397 2.754 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000129005959 196011755 /nfs/dbraw/zinc/01/17/55/196011755.db2.gz GUVLYRJWRXDJIL-RKVPGOIHSA-N 2 1 306.450 2.782 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000129569485 196058385 /nfs/dbraw/zinc/05/83/85/196058385.db2.gz LPHKUJVRBUQDGI-OAGGEKHMSA-N 2 1 306.450 2.782 20 0 DFADMP CCN(C)C(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000130704087 196102743 /nfs/dbraw/zinc/10/27/43/196102743.db2.gz LAUYFIKMBZYCFS-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP COCC[NH+]1CCC([NH2+]C2CC(c3ccc(F)cc3)C2)CC1 ZINC000130733270 196105797 /nfs/dbraw/zinc/10/57/97/196105797.db2.gz WLXSRBHYHBFCOF-UHFFFAOYSA-N 2 1 306.425 2.772 20 0 DFADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000134021538 196354050 /nfs/dbraw/zinc/35/40/50/196354050.db2.gz ZSASUATUWNNQSX-WDSOQIARSA-N 2 1 303.494 2.999 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCCNC2=O)cc1 ZINC000134085383 196359679 /nfs/dbraw/zinc/35/96/79/196359679.db2.gz WPRIQDONHLZABC-CXAGYDPISA-N 2 1 312.417 2.500 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000134085912 196360000 /nfs/dbraw/zinc/36/00/00/196360000.db2.gz WPRIQDONHLZABC-GUYCJALGSA-N 2 1 312.417 2.500 20 0 DFADMP Cc1ccc2cc(CN3CCC([N@@H+](C)CCCO)CC3)[nH]c2c1 ZINC000667637531 543646532 /nfs/dbraw/zinc/64/65/32/543646532.db2.gz WOWIUXAYNXEOGX-UHFFFAOYSA-N 2 1 315.461 2.755 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3n2CCC3)CC1 ZINC000667500979 543619401 /nfs/dbraw/zinc/61/94/01/543619401.db2.gz HZUKEBVAYXERFU-UHFFFAOYSA-N 2 1 304.482 2.773 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667835059 543688902 /nfs/dbraw/zinc/68/89/02/543688902.db2.gz HKRMOLYWKIMIKW-YZGWKJHDSA-N 2 1 314.473 2.708 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)nc(C)[nH+]1 ZINC000667839756 543689812 /nfs/dbraw/zinc/68/98/12/543689812.db2.gz BMJXSZSRJRXBBS-NCOADZHNSA-N 2 1 300.450 2.840 20 0 DFADMP c1cc(C[N@@H+]2CC[C@@H](C3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682702 543659104 /nfs/dbraw/zinc/65/91/04/543659104.db2.gz UFSSEXHKMBNJCS-MRXNPFEDSA-N 2 1 312.417 2.516 20 0 DFADMP c1cc(C[N@H+]2CC[C@@H](C3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682702 543659105 /nfs/dbraw/zinc/65/91/05/543659105.db2.gz UFSSEXHKMBNJCS-MRXNPFEDSA-N 2 1 312.417 2.516 20 0 DFADMP CO[C@]1(C)C[C@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000667690748 543660679 /nfs/dbraw/zinc/66/06/79/543660679.db2.gz HKJHURIDQJXBAF-FUHWJXTLSA-N 2 1 314.433 2.903 20 0 DFADMP [NH3+]Cc1cccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c1 ZINC000667728152 543667952 /nfs/dbraw/zinc/66/79/52/543667952.db2.gz NUWVUASBRAKJCE-UHFFFAOYSA-N 2 1 316.449 2.628 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667776081 543676658 /nfs/dbraw/zinc/67/66/58/543676658.db2.gz HWGBLCPVOVZQIS-VQTJNVASSA-N 2 1 314.473 2.851 20 0 DFADMP Cc1[nH+]cc(CN2CCN(c3ccccc3F)C[C@H]2C)n1C ZINC000668048188 543729653 /nfs/dbraw/zinc/72/96/53/543729653.db2.gz YIOBTVZVGXXLLH-CYBMUJFWSA-N 2 1 302.397 2.578 20 0 DFADMP COCc1csc(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)c1 ZINC000668170058 543757762 /nfs/dbraw/zinc/75/77/62/543757762.db2.gz BYSVFDQHAGOCHY-CYBMUJFWSA-N 2 1 305.447 2.785 20 0 DFADMP COCc1csc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000668170058 543757766 /nfs/dbraw/zinc/75/77/66/543757766.db2.gz BYSVFDQHAGOCHY-CYBMUJFWSA-N 2 1 305.447 2.785 20 0 DFADMP COCc1csc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000668170058 543757769 /nfs/dbraw/zinc/75/77/69/543757769.db2.gz BYSVFDQHAGOCHY-CYBMUJFWSA-N 2 1 305.447 2.785 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnn2c1CCC2 ZINC000668169735 543757778 /nfs/dbraw/zinc/75/77/78/543757778.db2.gz YPBCMOQRTOPPPC-UHFFFAOYSA-N 2 1 301.438 2.500 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnn2c1CCC2 ZINC000668169735 543757786 /nfs/dbraw/zinc/75/77/86/543757786.db2.gz YPBCMOQRTOPPPC-UHFFFAOYSA-N 2 1 301.438 2.500 20 0 DFADMP CO[C@H]1C[C@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000668225025 543771557 /nfs/dbraw/zinc/77/15/57/543771557.db2.gz CFZRGSCTYUZRLS-IRXDYDNUSA-N 2 1 312.417 2.657 20 0 DFADMP COC[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668228840 543773400 /nfs/dbraw/zinc/77/34/00/543773400.db2.gz SFNCIXJOBGNYJV-HNNXBMFYSA-N 2 1 300.406 2.516 20 0 DFADMP COC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668228840 543773402 /nfs/dbraw/zinc/77/34/02/543773402.db2.gz SFNCIXJOBGNYJV-HNNXBMFYSA-N 2 1 300.406 2.516 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)C1 ZINC000668490461 543814176 /nfs/dbraw/zinc/81/41/76/543814176.db2.gz WMCALOZCGPVJKA-SFHVURJKSA-N 2 1 300.446 2.676 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2([NH3+])CCC2)cc1 ZINC000296169089 225614730 /nfs/dbraw/zinc/61/47/30/225614730.db2.gz XCHWXPLTLIILAL-AWEZNQCLSA-N 2 1 301.434 2.881 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(COC2)C1 ZINC000668720204 543853563 /nfs/dbraw/zinc/85/35/63/543853563.db2.gz NNCKGQIXWBEJKM-UHFFFAOYSA-N 2 1 302.462 2.867 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC2(COC2)C1 ZINC000668720204 543853564 /nfs/dbraw/zinc/85/35/64/543853564.db2.gz NNCKGQIXWBEJKM-UHFFFAOYSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC2(COC2)C1 ZINC000668720204 543853566 /nfs/dbraw/zinc/85/35/66/543853566.db2.gz NNCKGQIXWBEJKM-UHFFFAOYSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC2(COC2)C1 ZINC000668720204 543853568 /nfs/dbraw/zinc/85/35/68/543853568.db2.gz NNCKGQIXWBEJKM-UHFFFAOYSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1(CO)CCC1 ZINC000668801809 543871584 /nfs/dbraw/zinc/87/15/84/543871584.db2.gz AGPDIUWZLUQGLK-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1(CO)CCC1 ZINC000668801809 543871585 /nfs/dbraw/zinc/87/15/85/543871585.db2.gz AGPDIUWZLUQGLK-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C1(CO)CCC1 ZINC000668801809 543871586 /nfs/dbraw/zinc/87/15/86/543871586.db2.gz AGPDIUWZLUQGLK-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C1(CO)CCC1 ZINC000668801809 543871587 /nfs/dbraw/zinc/87/15/87/543871587.db2.gz AGPDIUWZLUQGLK-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000668785268 543866911 /nfs/dbraw/zinc/86/69/11/543866911.db2.gz OZGISHTVGQRCAC-YJBOKZPZSA-N 2 1 308.441 2.972 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000668786769 543867630 /nfs/dbraw/zinc/86/76/30/543867630.db2.gz HQJQTIWGYACSLO-LJQANCHMSA-N 2 1 320.477 2.936 20 0 DFADMP CCOc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000668786769 543867632 /nfs/dbraw/zinc/86/76/32/543867632.db2.gz HQJQTIWGYACSLO-LJQANCHMSA-N 2 1 320.477 2.936 20 0 DFADMP C[C@@H]1CCc2ccccc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618795 543976080 /nfs/dbraw/zinc/97/60/80/543976080.db2.gz PMTDOSAQLWKOJF-VQIMIIECSA-N 2 1 315.505 2.926 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000669699838 543985548 /nfs/dbraw/zinc/98/55/48/543985548.db2.gz FKTVNEGTDYUTFV-ROUUACIJSA-N 2 1 322.493 2.569 20 0 DFADMP CCC1CC([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000671294175 544065264 /nfs/dbraw/zinc/06/52/64/544065264.db2.gz TWJGJFQSKASRJT-UYSNPLJNSA-N 2 1 307.507 2.815 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOCc2ccc(OC)cc2)C1 ZINC000673713621 544193283 /nfs/dbraw/zinc/19/32/83/544193283.db2.gz KQLNWKHQNRMVOC-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOCc2ccc(OC)cc2)C1 ZINC000673713621 544193285 /nfs/dbraw/zinc/19/32/85/544193285.db2.gz KQLNWKHQNRMVOC-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOCc2ccc(OC)cc2)C1 ZINC000673713621 544193286 /nfs/dbraw/zinc/19/32/86/544193286.db2.gz KQLNWKHQNRMVOC-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOCc2ccc(OC)cc2)C1 ZINC000673713621 544193288 /nfs/dbraw/zinc/19/32/88/544193288.db2.gz KQLNWKHQNRMVOC-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CN(CC[N@@H+](C)[C@@H]1C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000291103451 222139330 /nfs/dbraw/zinc/13/93/30/222139330.db2.gz JPLQNVSGBBOWPD-RBUKOAKNSA-N 2 1 301.478 2.500 20 0 DFADMP COC(=O)c1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)n(C)c1C ZINC000291236898 222247197 /nfs/dbraw/zinc/24/71/97/222247197.db2.gz QHQMCPSKDMSZGH-INIZCTEOSA-N 2 1 323.481 2.576 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785339 297205757 /nfs/dbraw/zinc/20/57/57/297205757.db2.gz VNSRDPOVLIBJMH-MGPQQGTHSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785339 297205758 /nfs/dbraw/zinc/20/57/58/297205758.db2.gz VNSRDPOVLIBJMH-MGPQQGTHSA-N 2 1 323.868 2.529 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000674047219 544215740 /nfs/dbraw/zinc/21/57/40/544215740.db2.gz HJCZCCQLKDPFPH-MRXNPFEDSA-N 2 1 304.434 2.633 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000674047219 544215742 /nfs/dbraw/zinc/21/57/42/544215742.db2.gz HJCZCCQLKDPFPH-MRXNPFEDSA-N 2 1 304.434 2.633 20 0 DFADMP CN(C)Cc1ccsc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000674877388 544272465 /nfs/dbraw/zinc/27/24/65/544272465.db2.gz RCKUNTYWJTYHFT-CABCVRRESA-N 2 1 321.490 2.509 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000674877388 544272467 /nfs/dbraw/zinc/27/24/67/544272467.db2.gz RCKUNTYWJTYHFT-CABCVRRESA-N 2 1 321.490 2.509 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)o1 ZINC000674965099 544280120 /nfs/dbraw/zinc/28/01/20/544280120.db2.gz MCTTYPBYHZHDOC-GDBMZVCRSA-N 2 1 321.465 2.580 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH+](C)C)c1 ZINC000675481151 544315377 /nfs/dbraw/zinc/31/53/77/544315377.db2.gz SELZXVSVGBEREO-INIZCTEOSA-N 2 1 319.493 2.875 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCCc3ccccc32)[C@@H](C)C1 ZINC000675783278 544336280 /nfs/dbraw/zinc/33/62/80/544336280.db2.gz FPQXJAIKCJIYSW-FUHWJXTLSA-N 2 1 301.478 2.759 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000675878326 544341195 /nfs/dbraw/zinc/34/11/95/544341195.db2.gz SCZCGVQQNSBYMR-HIFRSBDPSA-N 2 1 301.434 2.791 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000675878329 544341261 /nfs/dbraw/zinc/34/12/61/544341261.db2.gz SCZCGVQQNSBYMR-ZFWWWQNUSA-N 2 1 301.434 2.791 20 0 DFADMP COc1ccc(COCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000675897699 544342898 /nfs/dbraw/zinc/34/28/98/544342898.db2.gz RQJKSTXUSYOULQ-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000675897699 544342899 /nfs/dbraw/zinc/34/28/99/544342899.db2.gz RQJKSTXUSYOULQ-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000675897699 544342900 /nfs/dbraw/zinc/34/29/00/544342900.db2.gz RQJKSTXUSYOULQ-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000677240793 544457208 /nfs/dbraw/zinc/45/72/08/544457208.db2.gz KXWINPCEGKKETG-HZPDHXFCSA-N 2 1 313.445 2.935 20 0 DFADMP c1cnn(C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000677241656 544457601 /nfs/dbraw/zinc/45/76/01/544457601.db2.gz RTFNCDBBIZRCLL-QRVBRYPASA-N 2 1 310.445 2.841 20 0 DFADMP c1cnn(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000677241656 544457603 /nfs/dbraw/zinc/45/76/03/544457603.db2.gz RTFNCDBBIZRCLL-QRVBRYPASA-N 2 1 310.445 2.841 20 0 DFADMP COc1cc(C)nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000677440754 544488549 /nfs/dbraw/zinc/48/85/49/544488549.db2.gz YTWHPTJURSSKKF-UHFFFAOYSA-N 2 1 305.466 2.951 20 0 DFADMP C[N@H+]1CCC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749540 544535833 /nfs/dbraw/zinc/53/58/33/544535833.db2.gz MKQQWBVSTOPETB-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749540 544535836 /nfs/dbraw/zinc/53/58/36/544535836.db2.gz MKQQWBVSTOPETB-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749540 544535842 /nfs/dbraw/zinc/53/58/42/544535842.db2.gz MKQQWBVSTOPETB-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749540 544535846 /nfs/dbraw/zinc/53/58/46/544535846.db2.gz MKQQWBVSTOPETB-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749540 544535850 /nfs/dbraw/zinc/53/58/50/544535850.db2.gz MKQQWBVSTOPETB-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CC)CCN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677805778 544543663 /nfs/dbraw/zinc/54/36/63/544543663.db2.gz POIIPZZGVLBPTP-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000677818487 544545880 /nfs/dbraw/zinc/54/58/80/544545880.db2.gz AJBSSMSYZARXMJ-GOSISDBHSA-N 2 1 309.417 2.809 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000678073042 544594210 /nfs/dbraw/zinc/59/42/10/544594210.db2.gz JWGZLXARZHAYKH-UHFFFAOYSA-N 2 1 320.481 2.695 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)N(C)C1CCCCC1 ZINC000678073042 544594214 /nfs/dbraw/zinc/59/42/14/544594214.db2.gz JWGZLXARZHAYKH-UHFFFAOYSA-N 2 1 320.481 2.695 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000678073052 544594467 /nfs/dbraw/zinc/59/44/67/544594467.db2.gz KIMMTQHDICRBED-QGZVFWFLSA-N 2 1 313.449 2.950 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2ccnc(C)n2)C1 ZINC000678073052 544594469 /nfs/dbraw/zinc/59/44/69/544594469.db2.gz KIMMTQHDICRBED-QGZVFWFLSA-N 2 1 313.449 2.950 20 0 DFADMP COCCC[NH+](C)Cc1ccccc1C[N@H+](C)CCCOC ZINC000299253358 229008215 /nfs/dbraw/zinc/00/82/15/229008215.db2.gz COBFTEFUBMTMTP-UHFFFAOYSA-N 2 1 308.466 2.623 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340894 544654772 /nfs/dbraw/zinc/65/47/72/544654772.db2.gz SDHFYAYQJXKSGW-JZXOWHBKSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340894 544654774 /nfs/dbraw/zinc/65/47/74/544654774.db2.gz SDHFYAYQJXKSGW-JZXOWHBKSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340894 544654779 /nfs/dbraw/zinc/65/47/79/544654779.db2.gz SDHFYAYQJXKSGW-JZXOWHBKSA-N 2 1 300.446 2.969 20 0 DFADMP CCCCCOc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000678343063 544655348 /nfs/dbraw/zinc/65/53/48/544655348.db2.gz MNYFOKLIAHVMIA-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCC2CCOCC2)cc1 ZINC000678272867 544639821 /nfs/dbraw/zinc/63/98/21/544639821.db2.gz CWXYCEPHDHYQMO-UHFFFAOYSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1 ZINC000678773781 544718811 /nfs/dbraw/zinc/71/88/11/544718811.db2.gz PQWSLPMWXULIBA-UHFFFAOYSA-N 2 1 315.461 2.543 20 0 DFADMP COCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000679074669 544780170 /nfs/dbraw/zinc/78/01/70/544780170.db2.gz WIQFXGWDHOFNFC-AYHJJNSGSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000062349875 425899969 /nfs/dbraw/zinc/89/99/69/425899969.db2.gz XDIFZPDBIKRFQB-AEFFLSMTSA-N 2 1 317.477 2.526 20 0 DFADMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)NCC1CCCCC1 ZINC000066874424 425907585 /nfs/dbraw/zinc/90/75/85/425907585.db2.gz ZAQPAUXBWFEGOG-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)C(C)C)c1ccsc1 ZINC000067574629 425911398 /nfs/dbraw/zinc/91/13/98/425911398.db2.gz XZCZYHYDAXLNTI-HNNXBMFYSA-N 2 1 311.495 2.587 20 0 DFADMP CC[C@@H](COC)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124648244 425931368 /nfs/dbraw/zinc/93/13/68/425931368.db2.gz LLCQEDOUWBBZPP-FCEWJHQRSA-N 2 1 320.477 2.810 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156008097 425932625 /nfs/dbraw/zinc/93/26/25/425932625.db2.gz HJJNSZFDCCTFNA-KRWDZBQOSA-N 2 1 317.477 2.598 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000191817406 268015143 /nfs/dbraw/zinc/01/51/43/268015143.db2.gz UUCLUUFYVSHAHB-HZPDHXFCSA-N 2 1 300.512 2.705 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@H](C)c2nccs2)CC1 ZINC000192795094 268049991 /nfs/dbraw/zinc/04/99/91/268049991.db2.gz OJARYLRJJKSYIC-INIZCTEOSA-N 2 1 324.538 2.595 20 0 DFADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)s2)c1 ZINC000193001691 268056217 /nfs/dbraw/zinc/05/62/17/268056217.db2.gz NSBYCUKDXIIVJJ-GFCCVEGCSA-N 2 1 303.431 2.977 20 0 DFADMP c1coc(-c2ncc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)s2)c1 ZINC000193001691 268056218 /nfs/dbraw/zinc/05/62/18/268056218.db2.gz NSBYCUKDXIIVJJ-GFCCVEGCSA-N 2 1 303.431 2.977 20 0 DFADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)ccc1Br ZINC000194543504 268106668 /nfs/dbraw/zinc/10/66/68/268106668.db2.gz CLNOKDSSTJLGPH-OKILXGFUSA-N 2 1 309.251 2.751 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000232499481 268147515 /nfs/dbraw/zinc/14/75/15/268147515.db2.gz AOWIHDXSBWERLN-MRXNPFEDSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268885617 268185795 /nfs/dbraw/zinc/18/57/95/268185795.db2.gz LDTSANQENZFWST-LJQANCHMSA-N 2 1 322.468 2.829 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269005361 268187445 /nfs/dbraw/zinc/18/74/45/268187445.db2.gz QHISOQYXATWSED-MJQMVNBJSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269005361 268187447 /nfs/dbraw/zinc/18/74/47/268187447.db2.gz QHISOQYXATWSED-MJQMVNBJSA-N 2 1 304.478 2.894 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000270604984 268190859 /nfs/dbraw/zinc/19/08/59/268190859.db2.gz GOTYTABBBQSBRZ-IEBWSBKVSA-N 2 1 312.461 2.834 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)c1 ZINC000270604984 268190861 /nfs/dbraw/zinc/19/08/61/268190861.db2.gz GOTYTABBBQSBRZ-IEBWSBKVSA-N 2 1 312.461 2.834 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000270910299 268233889 /nfs/dbraw/zinc/23/38/89/268233889.db2.gz STCPHJRZJVRAGX-UHFFFAOYSA-N 2 1 303.381 2.626 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287269727 268276553 /nfs/dbraw/zinc/27/65/53/268276553.db2.gz AVUJACOKHRACAW-HNNXBMFYSA-N 2 1 301.438 2.648 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000300203622 268320992 /nfs/dbraw/zinc/32/09/92/268320992.db2.gz JRODXNCWKOBUKK-APIJFGDWSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000300203622 268320993 /nfs/dbraw/zinc/32/09/93/268320993.db2.gz JRODXNCWKOBUKK-APIJFGDWSA-N 2 1 311.470 2.505 20 0 DFADMP Cc1cc(NC[C@H]2CN(CC(C)C)CCO2)nc(C(C)C)n1 ZINC000301060814 268322223 /nfs/dbraw/zinc/32/22/23/268322223.db2.gz LMKGZTKUKXXVSY-HNNXBMFYSA-N 2 1 306.454 2.677 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C ZINC000309759437 268336226 /nfs/dbraw/zinc/33/62/26/268336226.db2.gz XQEWFHCHQVMXIF-UHFFFAOYSA-N 2 1 324.469 2.817 20 0 DFADMP CC(C)(C)[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310029096 268337105 /nfs/dbraw/zinc/33/71/05/268337105.db2.gz WUDQFZIGCKOWPM-GBESFXJTSA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310029096 268337106 /nfs/dbraw/zinc/33/71/06/268337106.db2.gz WUDQFZIGCKOWPM-GBESFXJTSA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310029096 268337107 /nfs/dbraw/zinc/33/71/07/268337107.db2.gz WUDQFZIGCKOWPM-GBESFXJTSA-N 2 1 316.489 2.847 20 0 DFADMP Brc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000311206743 268337296 /nfs/dbraw/zinc/33/72/96/268337296.db2.gz JPNKHAYBWSDKBL-OKILXGFUSA-N 2 1 309.251 2.881 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313696324 268340163 /nfs/dbraw/zinc/34/01/63/268340163.db2.gz IJWCNTCQSSYWKH-WFASDCNBSA-N 2 1 311.267 2.921 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000124801779 425938669 /nfs/dbraw/zinc/93/86/69/425938669.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000124801779 425938672 /nfs/dbraw/zinc/93/86/72/425938672.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000124801779 425938676 /nfs/dbraw/zinc/93/86/76/425938676.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124801779 425938678 /nfs/dbraw/zinc/93/86/78/425938678.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124801779 425938679 /nfs/dbraw/zinc/93/86/79/425938679.db2.gz FCGIZVRZIJTKET-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000107369839 425989329 /nfs/dbraw/zinc/98/93/29/425989329.db2.gz YQEPQWDLGJFESP-JKSUJKDBSA-N 2 1 305.441 2.599 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000158689633 425946358 /nfs/dbraw/zinc/94/63/58/425946358.db2.gz SGCKKAIPFFCCIE-YQQAZPJKSA-N 2 1 304.482 2.755 20 0 DFADMP Cc1cc(NC[C@H]2C[N@@H+](C3CC3)CCO2)c2cc(F)ccc2[nH+]1 ZINC000124995464 425948616 /nfs/dbraw/zinc/94/86/16/425948616.db2.gz PTYMYLNOHTYUPO-HNNXBMFYSA-N 2 1 315.392 2.957 20 0 DFADMP Cc1cc(NC[C@H]2C[N@H+](C3CC3)CCO2)c2cc(F)ccc2[nH+]1 ZINC000124995464 425948619 /nfs/dbraw/zinc/94/86/19/425948619.db2.gz PTYMYLNOHTYUPO-HNNXBMFYSA-N 2 1 315.392 2.957 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(Cc2nccn2C)CC1 ZINC000158863044 425950336 /nfs/dbraw/zinc/95/03/36/425950336.db2.gz SYQNAAXHTCGTRI-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nccn2C)CC1 ZINC000158863044 425950337 /nfs/dbraw/zinc/95/03/37/425950337.db2.gz SYQNAAXHTCGTRI-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nccn2C)CC1 ZINC000158863044 425950340 /nfs/dbraw/zinc/95/03/40/425950340.db2.gz SYQNAAXHTCGTRI-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000125095939 425953532 /nfs/dbraw/zinc/95/35/32/425953532.db2.gz QSQMYZLTHZCUTA-BASYENTBSA-N 2 1 306.450 2.781 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000070149707 425968813 /nfs/dbraw/zinc/96/88/13/425968813.db2.gz IDLWCLNHZQLDQP-CYBMUJFWSA-N 2 1 309.841 2.872 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170747 425969098 /nfs/dbraw/zinc/96/90/98/425969098.db2.gz CRQVMGDHCXNGBE-ZDUSSCGKSA-N 2 1 309.841 2.648 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070171184 425969187 /nfs/dbraw/zinc/96/91/87/425969187.db2.gz BKUVESKBQVTVND-CYBMUJFWSA-N 2 1 309.841 2.648 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000073035854 426022990 /nfs/dbraw/zinc/02/29/90/426022990.db2.gz QCWHHNHOLMPYEJ-INIZCTEOSA-N 2 1 323.525 2.734 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000112310171 426071529 /nfs/dbraw/zinc/07/15/29/426071529.db2.gz HCACWKBXNCPYQF-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP CCCC[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000112310171 426071530 /nfs/dbraw/zinc/07/15/30/426071530.db2.gz HCACWKBXNCPYQF-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP CCCC[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000112310171 426071534 /nfs/dbraw/zinc/07/15/34/426071534.db2.gz HCACWKBXNCPYQF-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000073764094 426031042 /nfs/dbraw/zinc/03/10/42/426031042.db2.gz IMNYPAWGVPJIOH-OAHLLOKOSA-N 2 1 322.497 2.879 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000126715826 426033504 /nfs/dbraw/zinc/03/35/04/426033504.db2.gz QEQLRZHMNUMXCL-IBGZPJMESA-N 2 1 303.494 2.958 20 0 DFADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000126743284 426034970 /nfs/dbraw/zinc/03/49/70/426034970.db2.gz BLVWDROCYYUZGL-HXUWFJFHSA-N 2 1 315.505 2.958 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000111240573 426041422 /nfs/dbraw/zinc/04/14/22/426041422.db2.gz FKGXIPWSTMNWAV-UHFFFAOYSA-N 2 1 321.440 2.961 20 0 DFADMP c1cnn(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000127021264 426047859 /nfs/dbraw/zinc/04/78/59/426047859.db2.gz VAZODTLNVBVKMV-UHFFFAOYSA-N 2 1 312.461 2.570 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000111386709 426048931 /nfs/dbraw/zinc/04/89/31/426048931.db2.gz SUBBQBSWMXKIEO-FCUDFIOSSA-N 2 1 302.462 2.916 20 0 DFADMP Cn1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000111391368 426049068 /nfs/dbraw/zinc/04/90/68/426049068.db2.gz MQOINRZHQGHIPV-AYHJJNSGSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000111391368 426049071 /nfs/dbraw/zinc/04/90/71/426049071.db2.gz MQOINRZHQGHIPV-AYHJJNSGSA-N 2 1 310.445 2.705 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CC[N@@H+](C)CC12CCCCC2 ZINC000162115880 426053303 /nfs/dbraw/zinc/05/33/03/426053303.db2.gz JCNBLKMUTWQLJJ-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CC[N@H+](C)CC12CCCCC2 ZINC000162115880 426053307 /nfs/dbraw/zinc/05/33/07/426053307.db2.gz JCNBLKMUTWQLJJ-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1CN1CCSCC1 ZINC000127207733 426056710 /nfs/dbraw/zinc/05/67/10/426056710.db2.gz XYJSCEFLSMHBOT-UHFFFAOYSA-N 2 1 321.490 2.514 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000127207733 426056714 /nfs/dbraw/zinc/05/67/14/426056714.db2.gz XYJSCEFLSMHBOT-UHFFFAOYSA-N 2 1 321.490 2.514 20 0 DFADMP CC[C@H](C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)[NH+](C)C ZINC000162218612 426057003 /nfs/dbraw/zinc/05/70/03/426057003.db2.gz UIGGNAOCAAKFLX-QGZVFWFLSA-N 2 1 303.450 2.937 20 0 DFADMP CCCC[C@@H](COC)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162280242 426059288 /nfs/dbraw/zinc/05/92/88/426059288.db2.gz ITIUHBNSLRCUQD-KRWDZBQOSA-N 2 1 320.481 2.857 20 0 DFADMP c1c[nH]c([C@H](NCCCNc2ccccn2)c2ccccc2)n1 ZINC000127559967 426072604 /nfs/dbraw/zinc/07/26/04/426072604.db2.gz VBMQLNAMXDTNMB-QGZVFWFLSA-N 2 1 307.401 2.986 20 0 DFADMP C[N@H+](CCC(=O)NCC1CCCCC1)CC[C@@H]1CCCC[NH+]1C ZINC000075859934 426087922 /nfs/dbraw/zinc/08/79/22/426087922.db2.gz BBFHKQTUGIBYHC-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP C[NH+](CCC(=O)NCC1CCCCC1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075859934 426087924 /nfs/dbraw/zinc/08/79/24/426087924.db2.gz BBFHKQTUGIBYHC-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP C[NH+](CCC(=O)NCC1CCCCC1)CC[C@@H]1CCCC[N@H+]1C ZINC000075859934 426087926 /nfs/dbraw/zinc/08/79/26/426087926.db2.gz BBFHKQTUGIBYHC-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000076002869 426094181 /nfs/dbraw/zinc/09/41/81/426094181.db2.gz MLRNGFSVRULPGN-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000076002869 426094184 /nfs/dbraw/zinc/09/41/84/426094184.db2.gz MLRNGFSVRULPGN-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000163289935 426095475 /nfs/dbraw/zinc/09/54/75/426095475.db2.gz TWFUYTAZFZBISV-FUHWJXTLSA-N 2 1 312.461 2.924 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC000112918566 426097781 /nfs/dbraw/zinc/09/77/81/426097781.db2.gz VGGZMDJXUHMHKD-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC000112918566 426097785 /nfs/dbraw/zinc/09/77/85/426097785.db2.gz VGGZMDJXUHMHKD-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2CC)CC1 ZINC000112918566 426097788 /nfs/dbraw/zinc/09/77/88/426097788.db2.gz VGGZMDJXUHMHKD-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000128082663 426101347 /nfs/dbraw/zinc/10/13/47/426101347.db2.gz OZHCAHPXFRGHRW-HIFRSBDPSA-N 2 1 323.868 2.578 20 0 DFADMP CCc1nc(C)c([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000128247187 426108583 /nfs/dbraw/zinc/10/85/83/426108583.db2.gz OCAHJRIDYIXHRI-CQSZACIVSA-N 2 1 324.538 2.692 20 0 DFADMP CC(C)N(CC[C@H]1CCC[N@H+]1C)CC(=O)Nc1ccc(F)cc1 ZINC000128274071 426110365 /nfs/dbraw/zinc/11/03/65/426110365.db2.gz UAQKXNJQXNYTQU-QGZVFWFLSA-N 2 1 321.440 2.959 20 0 DFADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3Br)CC[C@@H]21 ZINC000164080247 426111775 /nfs/dbraw/zinc/11/17/75/426111775.db2.gz IXSLEMNKLFLOCN-YPMHNXCESA-N 2 1 310.239 2.765 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3Br)CC[C@@H]21 ZINC000164080247 426111776 /nfs/dbraw/zinc/11/17/76/426111776.db2.gz IXSLEMNKLFLOCN-YPMHNXCESA-N 2 1 310.239 2.765 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])C(C)(C)C)c1 ZINC000164356069 426113019 /nfs/dbraw/zinc/11/30/19/426113019.db2.gz PPLITVOEWHRTCT-MRXNPFEDSA-N 2 1 305.466 2.516 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128343609 426113531 /nfs/dbraw/zinc/11/35/31/426113531.db2.gz ZADWXJSPWVYYHW-VQIMIIECSA-N 2 1 301.478 2.537 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000113515087 426116478 /nfs/dbraw/zinc/11/64/78/426116478.db2.gz ODGLJMYCCBSYAC-CYBMUJFWSA-N 2 1 302.340 2.969 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000113515087 426116480 /nfs/dbraw/zinc/11/64/80/426116480.db2.gz ODGLJMYCCBSYAC-CYBMUJFWSA-N 2 1 302.340 2.969 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000165612739 426123242 /nfs/dbraw/zinc/12/32/42/426123242.db2.gz SGTNZJZIYKLNJC-RDTXWAMCSA-N 2 1 303.450 2.507 20 0 DFADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000165992598 426125789 /nfs/dbraw/zinc/12/57/89/426125789.db2.gz SKCDJFQWLDDLNF-INIZCTEOSA-N 2 1 314.433 2.971 20 0 DFADMP Cc1noc(C)c1CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000165992598 426125791 /nfs/dbraw/zinc/12/57/91/426125791.db2.gz SKCDJFQWLDDLNF-INIZCTEOSA-N 2 1 314.433 2.971 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000127590012 426074786 /nfs/dbraw/zinc/07/47/86/426074786.db2.gz ZWUDUWWEIZETOE-QGZVFWFLSA-N 2 1 321.484 2.937 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000162790280 426077512 /nfs/dbraw/zinc/07/75/12/426077512.db2.gz KLTNDJSITCTUPZ-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000162790280 426077514 /nfs/dbraw/zinc/07/75/14/426077514.db2.gz KLTNDJSITCTUPZ-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000162790280 426077516 /nfs/dbraw/zinc/07/75/16/426077516.db2.gz KLTNDJSITCTUPZ-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@@H]32)CC1 ZINC000075837481 426086185 /nfs/dbraw/zinc/08/61/85/426086185.db2.gz UXKYFKVZZXUZCS-RYRKJORJSA-N 2 1 321.509 2.628 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000129982811 426143961 /nfs/dbraw/zinc/14/39/61/426143961.db2.gz HIEILSIHKDLQEA-UHFFFAOYSA-N 2 1 306.435 2.620 20 0 DFADMP C[C@@H](C(=O)N1CCC[C@H]([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000132366643 426168106 /nfs/dbraw/zinc/16/81/06/426168106.db2.gz ZDVVPEJALHRUHY-MHORFTMASA-N 2 1 321.509 2.725 20 0 DFADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000116396609 426188613 /nfs/dbraw/zinc/18/86/13/426188613.db2.gz HDJNWMTXQRTESI-RDJZCZTQSA-N 2 1 319.493 2.647 20 0 DFADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1 ZINC000116396156 426189102 /nfs/dbraw/zinc/18/91/02/426189102.db2.gz USACVRFZFUZHTC-GOEBONIOSA-N 2 1 305.466 2.970 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC000171589165 426197090 /nfs/dbraw/zinc/19/70/90/426197090.db2.gz FMJBQZMTUNBRIB-CABCVRRESA-N 2 1 308.441 2.911 20 0 DFADMP CCCCCCNC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134861969 426197222 /nfs/dbraw/zinc/19/72/22/426197222.db2.gz FVOLMDBJNXIWBD-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134915862 426199924 /nfs/dbraw/zinc/19/99/24/426199924.db2.gz BISDXHZKNJSAKO-HIFRSBDPSA-N 2 1 320.399 2.904 20 0 DFADMP FC(F)(F)COCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134915862 426199925 /nfs/dbraw/zinc/19/99/25/426199925.db2.gz BISDXHZKNJSAKO-HIFRSBDPSA-N 2 1 320.399 2.904 20 0 DFADMP FC(F)(F)COCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134915862 426199927 /nfs/dbraw/zinc/19/99/27/426199927.db2.gz BISDXHZKNJSAKO-HIFRSBDPSA-N 2 1 320.399 2.904 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2OC)C1 ZINC000081571724 426224974 /nfs/dbraw/zinc/22/49/74/426224974.db2.gz RBPPWWUKADHVRH-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOc2ccccc2OC)C1 ZINC000081571724 426224976 /nfs/dbraw/zinc/22/49/76/426224976.db2.gz RBPPWWUKADHVRH-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2OC)C1 ZINC000081571724 426224977 /nfs/dbraw/zinc/22/49/77/426224977.db2.gz RBPPWWUKADHVRH-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2OC)C1 ZINC000081571724 426224980 /nfs/dbraw/zinc/22/49/80/426224980.db2.gz RBPPWWUKADHVRH-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CN1CCN([C@H]2CCCC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000136067550 426234819 /nfs/dbraw/zinc/23/48/19/426234819.db2.gz KLMSETJHJFVNKR-OSICKASQSA-N 2 1 313.489 2.802 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC000086248132 426257190 /nfs/dbraw/zinc/25/71/90/426257190.db2.gz AIGIXSWZOGCOOQ-AWEZNQCLSA-N 2 1 314.433 2.698 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000086248132 426257194 /nfs/dbraw/zinc/25/71/94/426257194.db2.gz AIGIXSWZOGCOOQ-AWEZNQCLSA-N 2 1 314.433 2.698 20 0 DFADMP COC(=O)[C@@H](C)[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000119080599 426260437 /nfs/dbraw/zinc/26/04/37/426260437.db2.gz OVZFIHKVZJJZDI-MRXNPFEDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000119080599 426260438 /nfs/dbraw/zinc/26/04/38/426260438.db2.gz OVZFIHKVZJJZDI-MRXNPFEDSA-N 2 1 318.461 2.782 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCc2ccccc21 ZINC000174712560 426263844 /nfs/dbraw/zinc/26/38/44/426263844.db2.gz XRWIUIAQDOSKMO-IBGZPJMESA-N 2 1 301.478 2.633 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150845082 426263868 /nfs/dbraw/zinc/26/38/68/426263868.db2.gz PCDVQRFKVGGSCB-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119480283 426291137 /nfs/dbraw/zinc/29/11/37/426291137.db2.gz BMLSHGRBQOFJJN-JZXOWHBKSA-N 2 1 317.477 2.561 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(C)cc3)C2)[C@H](C)C1 ZINC000119677353 426301533 /nfs/dbraw/zinc/30/15/33/426301533.db2.gz PMFCNRKJFFFFID-LMMKCTJWSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000089674468 426301683 /nfs/dbraw/zinc/30/16/83/426301683.db2.gz ASDIOSLNOCNBNM-UMVBOHGHSA-N 2 1 318.440 2.573 20 0 DFADMP COC(=O)c1cc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000151663258 426307018 /nfs/dbraw/zinc/30/70/18/426307018.db2.gz PPAQSZYDIKQSAB-BXUZGUMPSA-N 2 1 310.463 2.758 20 0 DFADMP Cc1cccc2c(NC3CC[NH+](CCN(C)C)CC3)cc[nH+]c12 ZINC000121214214 426326048 /nfs/dbraw/zinc/32/60/48/426326048.db2.gz RTDVOHPHPPGKTB-UHFFFAOYSA-N 2 1 312.461 2.981 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3ccccc3C)C2)CC1 ZINC000175906978 426337791 /nfs/dbraw/zinc/33/77/91/426337791.db2.gz YILXKLYLQCCGNR-HXUWFJFHSA-N 2 1 315.505 2.639 20 0 DFADMP C[C@H](CCNc1ncnc2c1cnn2C)[N@@H+](C)Cc1ccccc1 ZINC000175161212 426283470 /nfs/dbraw/zinc/28/34/70/426283470.db2.gz ADGULUSMDPTYBL-CQSZACIVSA-N 2 1 324.432 2.686 20 0 DFADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151259200 426286467 /nfs/dbraw/zinc/28/64/67/426286467.db2.gz XZLYEHCOGBKVMC-IEBWSBKVSA-N 2 1 320.477 2.973 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C[C@H]2CC=CCC2)c1 ZINC000122793781 426394514 /nfs/dbraw/zinc/39/45/14/426394514.db2.gz JWGOHWIMWRUIMI-KRWDZBQOSA-N 2 1 300.446 2.965 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000122867348 426399839 /nfs/dbraw/zinc/39/98/39/426399839.db2.gz RMVNHBRUBZYWJN-GDBMZVCRSA-N 2 1 318.461 2.808 20 0 DFADMP COCC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152728320 426350811 /nfs/dbraw/zinc/35/08/11/426350811.db2.gz MHJOQCXGSGETIW-HNNXBMFYSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000152980578 426365245 /nfs/dbraw/zinc/36/52/45/426365245.db2.gz ZDKZPBXPJSNYQR-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000152980578 426365248 /nfs/dbraw/zinc/36/52/48/426365248.db2.gz ZDKZPBXPJSNYQR-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000152980578 426365252 /nfs/dbraw/zinc/36/52/52/426365252.db2.gz ZDKZPBXPJSNYQR-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000152980578 426365255 /nfs/dbraw/zinc/36/52/55/426365255.db2.gz ZDKZPBXPJSNYQR-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000153221929 426376213 /nfs/dbraw/zinc/37/62/13/426376213.db2.gz UQQHGMHULMXZKL-INIZCTEOSA-N 2 1 315.461 2.964 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000153221929 426376217 /nfs/dbraw/zinc/37/62/17/426376217.db2.gz UQQHGMHULMXZKL-INIZCTEOSA-N 2 1 315.461 2.964 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000122779826 426393526 /nfs/dbraw/zinc/39/35/26/426393526.db2.gz WJGGCZDBAYFLFF-HLIPFELVSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000122779826 426393530 /nfs/dbraw/zinc/39/35/30/426393530.db2.gz WJGGCZDBAYFLFF-HLIPFELVSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000122779826 426393532 /nfs/dbraw/zinc/39/35/32/426393532.db2.gz WJGGCZDBAYFLFF-HLIPFELVSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122779826 426393536 /nfs/dbraw/zinc/39/35/36/426393536.db2.gz WJGGCZDBAYFLFF-HLIPFELVSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122779826 426393539 /nfs/dbraw/zinc/39/35/39/426393539.db2.gz WJGGCZDBAYFLFF-HLIPFELVSA-N 2 1 315.505 2.753 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000154015886 426419377 /nfs/dbraw/zinc/41/93/77/426419377.db2.gz PXRHZTPUEKLCHQ-OIISXLGYSA-N 2 1 305.466 2.797 20 0 DFADMP Cn1cncc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000177041475 426438316 /nfs/dbraw/zinc/43/83/16/426438316.db2.gz RROQAFGAUIJNPP-UHFFFAOYSA-N 2 1 312.461 2.764 20 0 DFADMP CC(C)C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000123539128 426439675 /nfs/dbraw/zinc/43/96/75/426439675.db2.gz QAJAVTFLMJXVLM-GOSISDBHSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@]1(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700969 269001090 /nfs/dbraw/zinc/00/10/90/269001090.db2.gz KDRYUINXRNNZPK-MOPGFXCFSA-N 2 1 302.462 2.748 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000123648661 426446199 /nfs/dbraw/zinc/44/61/99/426446199.db2.gz UKLKMWYIEQTXHD-QGZVFWFLSA-N 2 1 313.445 2.748 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ncc(C)n2C)cc1 ZINC000341138345 269045827 /nfs/dbraw/zinc/04/58/27/269045827.db2.gz SHOCAMBDWIHEJP-UHFFFAOYSA-N 2 1 300.450 2.860 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000341173323 269053238 /nfs/dbraw/zinc/05/32/38/269053238.db2.gz OQSOISDFUUNNSW-UHFFFAOYSA-N 2 1 306.435 2.572 20 0 DFADMP C[C@H]1C[C@@H](NCc2c(C3CC3)nc3sccn23)CC[N@H+]1C ZINC000341273807 269057286 /nfs/dbraw/zinc/05/72/86/269057286.db2.gz XVORGDGTEIRTKT-AAEUAGOBSA-N 2 1 304.463 2.846 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2c(C3CC3)nc3sccn23)CCN1C ZINC000341273807 269057288 /nfs/dbraw/zinc/05/72/88/269057288.db2.gz XVORGDGTEIRTKT-AAEUAGOBSA-N 2 1 304.463 2.846 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1)C1CC1 ZINC000341329927 269071204 /nfs/dbraw/zinc/07/12/04/269071204.db2.gz UNVMCUVSXHDKQA-HNNXBMFYSA-N 2 1 317.477 2.598 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000341358839 269071884 /nfs/dbraw/zinc/07/18/84/269071884.db2.gz SBOAKAWCZQHHGG-OAHLLOKOSA-N 2 1 317.468 2.674 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000341427657 269076131 /nfs/dbraw/zinc/07/61/31/269076131.db2.gz CGMIWLUOJHYQSA-ZDUSSCGKSA-N 2 1 303.406 2.950 20 0 DFADMP C[C@@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000341430847 269076155 /nfs/dbraw/zinc/07/61/55/269076155.db2.gz QFEJPNSUUIQMOL-NNXHMXCWSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000341430847 269076157 /nfs/dbraw/zinc/07/61/57/269076157.db2.gz QFEJPNSUUIQMOL-NNXHMXCWSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000341430847 269076158 /nfs/dbraw/zinc/07/61/58/269076158.db2.gz QFEJPNSUUIQMOL-NNXHMXCWSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)CC[N@@H+]1C ZINC000123863616 426457005 /nfs/dbraw/zinc/45/70/05/426457005.db2.gz KVAILSHMXAGKQB-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)CC[N@H+]1C ZINC000123863616 426457006 /nfs/dbraw/zinc/45/70/06/426457006.db2.gz KVAILSHMXAGKQB-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC[NH+]1C ZINC000123863616 426457009 /nfs/dbraw/zinc/45/70/09/426457009.db2.gz KVAILSHMXAGKQB-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)CC[NH+]1C ZINC000123863616 426457012 /nfs/dbraw/zinc/45/70/12/426457012.db2.gz KVAILSHMXAGKQB-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@H](C)C1 ZINC000154928479 426460194 /nfs/dbraw/zinc/46/01/94/426460194.db2.gz MJWCZJPURHPCHF-ZACQAIPSSA-N 2 1 314.514 2.774 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000123935159 426461415 /nfs/dbraw/zinc/46/14/15/426461415.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000123935159 426461417 /nfs/dbraw/zinc/46/14/17/426461417.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000123935159 426461420 /nfs/dbraw/zinc/46/14/20/426461420.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 3 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000123935159 426461422 /nfs/dbraw/zinc/46/14/22/426461422.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000123935159 426461424 /nfs/dbraw/zinc/46/14/24/426461424.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000123935159 426461428 /nfs/dbraw/zinc/46/14/28/426461428.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000123935159 426461430 /nfs/dbraw/zinc/46/14/30/426461430.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000123935159 426461433 /nfs/dbraw/zinc/46/14/33/426461433.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000123935159 426461436 /nfs/dbraw/zinc/46/14/36/426461436.db2.gz CNGQMXDZHMQNAK-TXPKVOOTSA-N 2 1 303.494 2.957 20 0 DFADMP CCOC(C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OCC ZINC000124024489 426466861 /nfs/dbraw/zinc/46/68/61/426466861.db2.gz QQBMEKHAQFOUAZ-QGZVFWFLSA-N 2 1 312.498 2.829 20 0 DFADMP CCOC(C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1)OCC ZINC000124024489 426466864 /nfs/dbraw/zinc/46/68/64/426466864.db2.gz QQBMEKHAQFOUAZ-QGZVFWFLSA-N 2 1 312.498 2.829 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000124064644 426467548 /nfs/dbraw/zinc/46/75/48/426467548.db2.gz SZTUOMUUMFNKRE-SFHVURJKSA-N 2 1 316.445 2.920 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000124064644 426467552 /nfs/dbraw/zinc/46/75/52/426467552.db2.gz SZTUOMUUMFNKRE-SFHVURJKSA-N 2 1 316.445 2.920 20 0 DFADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101658289 426485811 /nfs/dbraw/zinc/48/58/11/426485811.db2.gz BPZZEQAHCIYSDO-OAGGEKHMSA-N 2 1 309.498 2.628 20 0 DFADMP CC1(C)OCc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2O1 ZINC000186364405 426513344 /nfs/dbraw/zinc/51/33/44/426513344.db2.gz DIJRRAQWUDBALD-HNNXBMFYSA-N 2 1 316.445 2.906 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)CCC(C)C)C2)[nH+]1 ZINC000280317789 426547122 /nfs/dbraw/zinc/54/71/22/426547122.db2.gz PBNXPZSWJZQIFZ-IAGOWNOFSA-N 2 1 305.466 2.921 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)CCC(C)C)C2)[nH+]1 ZINC000280317789 426547129 /nfs/dbraw/zinc/54/71/29/426547129.db2.gz PBNXPZSWJZQIFZ-IAGOWNOFSA-N 2 1 305.466 2.921 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272537261 426550626 /nfs/dbraw/zinc/55/06/26/426550626.db2.gz RLMUSIKGXREWJD-KANFNMMFSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272537100 426550923 /nfs/dbraw/zinc/55/09/23/426550923.db2.gz RKEXHCJGBHPZPY-PKOBYXMFSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272537100 426550928 /nfs/dbraw/zinc/55/09/28/426550928.db2.gz RKEXHCJGBHPZPY-PKOBYXMFSA-N 2 1 303.494 2.828 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272536760 426552144 /nfs/dbraw/zinc/55/21/44/426552144.db2.gz BXJCVZKVISRJNB-SJLPKXTDSA-N 2 1 304.478 2.895 20 0 DFADMP CC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178003803 426554068 /nfs/dbraw/zinc/55/40/68/426554068.db2.gz BEPZUTHAMHKSFV-AEFFLSMTSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178003803 426554074 /nfs/dbraw/zinc/55/40/74/426554074.db2.gz BEPZUTHAMHKSFV-AEFFLSMTSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178003803 426554077 /nfs/dbraw/zinc/55/40/77/426554077.db2.gz BEPZUTHAMHKSFV-AEFFLSMTSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178003803 426554079 /nfs/dbraw/zinc/55/40/79/426554079.db2.gz BEPZUTHAMHKSFV-AEFFLSMTSA-N 2 1 316.445 2.684 20 0 DFADMP O=C(CCc1cnc[nH]1)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000195014391 426497843 /nfs/dbraw/zinc/49/78/43/426497843.db2.gz VVDFVFKHCXVLKB-UHFFFAOYSA-N 2 1 318.465 2.647 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195136290 426502390 /nfs/dbraw/zinc/50/23/90/426502390.db2.gz HCRMZRALENMXEA-HKUYNNGSSA-N 2 1 312.461 2.983 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000178116215 426574473 /nfs/dbraw/zinc/57/44/73/426574473.db2.gz VSOHGJJLNAYRLO-LJQANCHMSA-N 2 1 304.478 2.690 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000178256110 426594047 /nfs/dbraw/zinc/59/40/47/426594047.db2.gz NJZAHRNGLFGICT-FPTDNZKUSA-N 2 1 320.502 2.949 20 0 DFADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273120708 426597014 /nfs/dbraw/zinc/59/70/14/426597014.db2.gz ZHLOSVDMEGDLCU-QXAKKESOSA-N 2 1 310.445 2.718 20 0 DFADMP C[C@@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000178278480 426597772 /nfs/dbraw/zinc/59/77/72/426597772.db2.gz ZUKWTLKPHMMNBT-HZPDHXFCSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000178315130 426602897 /nfs/dbraw/zinc/60/28/97/426602897.db2.gz QWEMRDQDBXJWLD-DOTOQJQBSA-N 2 1 320.481 2.690 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000178315130 426602904 /nfs/dbraw/zinc/60/29/04/426602904.db2.gz QWEMRDQDBXJWLD-DOTOQJQBSA-N 2 1 320.481 2.690 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000288972092 426559965 /nfs/dbraw/zinc/55/99/65/426559965.db2.gz BSVQGTNQZFKFNM-SFHVURJKSA-N 2 1 315.461 2.561 20 0 DFADMP Cc1cc(C)n(CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000280387815 426563944 /nfs/dbraw/zinc/56/39/44/426563944.db2.gz KDRJQZIDHVWDHR-BGYRXZFFSA-N 2 1 324.472 2.564 20 0 DFADMP Cc1cc(C)n(CC[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000280387815 426563947 /nfs/dbraw/zinc/56/39/47/426563947.db2.gz KDRJQZIDHVWDHR-BGYRXZFFSA-N 2 1 324.472 2.564 20 0 DFADMP Cc1cc(C)n(CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000280387815 426563951 /nfs/dbraw/zinc/56/39/51/426563951.db2.gz KDRJQZIDHVWDHR-BGYRXZFFSA-N 2 1 324.472 2.564 20 0 DFADMP Cc1cc(C)n(CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000280387815 426563956 /nfs/dbraw/zinc/56/39/56/426563956.db2.gz KDRJQZIDHVWDHR-BGYRXZFFSA-N 2 1 324.472 2.564 20 0 DFADMP CCCc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000187229363 426640223 /nfs/dbraw/zinc/64/02/23/426640223.db2.gz SVHHRHNEHBJXMT-LJQANCHMSA-N 2 1 304.478 2.966 20 0 DFADMP CCCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289408275 426649668 /nfs/dbraw/zinc/64/96/68/426649668.db2.gz UKRGHUSZCZGEMJ-PKOBYXMFSA-N 2 1 320.477 2.971 20 0 DFADMP CCCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289408275 426649673 /nfs/dbraw/zinc/64/96/73/426649673.db2.gz UKRGHUSZCZGEMJ-PKOBYXMFSA-N 2 1 320.477 2.971 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000289447627 426660942 /nfs/dbraw/zinc/66/09/42/426660942.db2.gz UMLXKMVDXVGHTD-SUMDDJOVSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000289447627 426660945 /nfs/dbraw/zinc/66/09/45/426660945.db2.gz UMLXKMVDXVGHTD-SUMDDJOVSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000289447627 426660948 /nfs/dbraw/zinc/66/09/48/426660948.db2.gz UMLXKMVDXVGHTD-SUMDDJOVSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000289447627 426660951 /nfs/dbraw/zinc/66/09/51/426660951.db2.gz UMLXKMVDXVGHTD-SUMDDJOVSA-N 2 1 302.462 2.628 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccc2occc2c1)C1CC[NH+](C)CC1 ZINC000289457899 426662713 /nfs/dbraw/zinc/66/27/13/426662713.db2.gz OAUASEFSHBAWJJ-UHFFFAOYSA-N 2 1 315.461 2.891 20 0 DFADMP CC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289614776 426670695 /nfs/dbraw/zinc/67/06/95/426670695.db2.gz DGUOEJCTIULMEA-SZVBFZGTSA-N 2 1 302.462 2.937 20 0 DFADMP C[NH2+]CCCC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000178689826 426676591 /nfs/dbraw/zinc/67/65/91/426676591.db2.gz UPZYYLVDCVWGPB-HNNXBMFYSA-N 2 1 303.450 2.999 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000178707175 426681395 /nfs/dbraw/zinc/68/13/95/426681395.db2.gz OLGQTGCMSYJKAH-QWHCGFSZSA-N 2 1 301.390 2.907 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccccc1OCC(=O)OC ZINC000273239503 426624118 /nfs/dbraw/zinc/62/41/18/426624118.db2.gz YLCCDWJEAULDIW-HNNXBMFYSA-N 2 1 322.449 2.621 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000178413296 426624881 /nfs/dbraw/zinc/62/48/81/426624881.db2.gz RXRVYQHKHFBFRF-INIZCTEOSA-N 2 1 315.461 2.950 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCCO2 ZINC000178411990 426625385 /nfs/dbraw/zinc/62/53/85/426625385.db2.gz AXQOVECQDWWLFR-QGZVFWFLSA-N 2 1 304.434 2.984 20 0 DFADMP CC(C)[C@](C)(O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101880 426628475 /nfs/dbraw/zinc/62/84/75/426628475.db2.gz CAIVFCAZFYCOHN-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@](C)(O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187101880 426628483 /nfs/dbraw/zinc/62/84/83/426628483.db2.gz CAIVFCAZFYCOHN-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@](C)(O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187101880 426628488 /nfs/dbraw/zinc/62/84/88/426628488.db2.gz CAIVFCAZFYCOHN-RBUKOAKNSA-N 2 1 304.478 2.847 20 0 DFADMP COc1cncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000290086331 426690289 /nfs/dbraw/zinc/69/02/89/426690289.db2.gz WWFAOALPHJJZBZ-HOCLYGCPSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000290086331 426690293 /nfs/dbraw/zinc/69/02/93/426690293.db2.gz WWFAOALPHJJZBZ-HOCLYGCPSA-N 2 1 303.450 2.833 20 0 DFADMP C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290192395 426713742 /nfs/dbraw/zinc/71/37/42/426713742.db2.gz GASRYCWVAYZLMQ-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290192395 426713747 /nfs/dbraw/zinc/71/37/47/426713747.db2.gz GASRYCWVAYZLMQ-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290192395 426713751 /nfs/dbraw/zinc/71/37/51/426713751.db2.gz GASRYCWVAYZLMQ-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237531288 426694045 /nfs/dbraw/zinc/69/40/45/426694045.db2.gz DCPHCEGQEQAIGG-IXDOHACOSA-N 2 1 323.525 2.639 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccnc2N)C1 ZINC000290109169 426695952 /nfs/dbraw/zinc/69/59/52/426695952.db2.gz SPIUTZBCCLATHQ-HZPDHXFCSA-N 2 1 302.466 2.750 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000187821298 426698060 /nfs/dbraw/zinc/69/80/60/426698060.db2.gz WFUQUSJKEVDHIY-ICSRJNTNSA-N 2 1 316.489 2.933 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCCOC2)C3)cc1 ZINC000245731103 426768411 /nfs/dbraw/zinc/76/84/11/426768411.db2.gz QEIXJLQUGJNOCV-MKXGPGLRSA-N 2 1 300.446 2.951 20 0 DFADMP c1cnn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245766625 426770819 /nfs/dbraw/zinc/77/08/19/426770819.db2.gz WMGSKQVVUIEXJX-REPLKXPHSA-N 2 1 310.445 2.668 20 0 DFADMP CCSCC[N@H+]1CC[C@@H](CN(C)Cc2scnc2C)C1 ZINC000188648170 426771888 /nfs/dbraw/zinc/77/18/88/426771888.db2.gz YICAVXLEYTZBGJ-AWEZNQCLSA-N 2 1 313.536 2.958 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290494827 426776511 /nfs/dbraw/zinc/77/65/11/426776511.db2.gz OUDAMHGLVPCEQF-INIZCTEOSA-N 2 1 312.461 2.737 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(F)c1F ZINC000245901703 426780963 /nfs/dbraw/zinc/78/09/63/426780963.db2.gz NYZZOWZQTWQYMX-KBPBESRZSA-N 2 1 312.404 2.852 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000245918916 426782418 /nfs/dbraw/zinc/78/24/18/426782418.db2.gz XFHDWLZRFZQIMV-VNQPRFMTSA-N 2 1 323.481 2.506 20 0 DFADMP C[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178982300 426729976 /nfs/dbraw/zinc/72/99/76/426729976.db2.gz XBUJKQFXWPSDFF-KRWDZBQOSA-N 2 1 301.478 2.582 20 0 DFADMP COc1cc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cc(OC)c1O ZINC000290298430 426736958 /nfs/dbraw/zinc/73/69/58/426736958.db2.gz HOGUYXJSZOZCLQ-CQSZACIVSA-N 2 1 322.449 2.764 20 0 DFADMP Cn1cc(CN[C@@H]2c3ccccc3CC[C@H]2n2ccnc2)cn1 ZINC000290542195 426788722 /nfs/dbraw/zinc/78/87/22/426788722.db2.gz RHGAIVCRZXSTDW-QZTJIDSGSA-N 2 1 307.401 2.635 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245528339 426747965 /nfs/dbraw/zinc/74/79/65/426747965.db2.gz GCKVTHZLLWPQHF-VQIMIIECSA-N 2 1 302.462 2.948 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)c1cc(F)ccc1F ZINC000266611356 426749089 /nfs/dbraw/zinc/74/90/89/426749089.db2.gz WPOWTERVGHPWKD-YOEHRIQHSA-N 2 1 312.404 2.804 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000290359779 426750200 /nfs/dbraw/zinc/75/02/00/426750200.db2.gz GTTQDYIPGKPFSF-RDJZCZTQSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000290359779 426750204 /nfs/dbraw/zinc/75/02/04/426750204.db2.gz GTTQDYIPGKPFSF-RDJZCZTQSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000290359779 426750206 /nfs/dbraw/zinc/75/02/06/426750206.db2.gz GTTQDYIPGKPFSF-RDJZCZTQSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000290359779 426750210 /nfs/dbraw/zinc/75/02/10/426750210.db2.gz GTTQDYIPGKPFSF-RDJZCZTQSA-N 2 1 304.482 2.698 20 0 DFADMP CCOC(=O)[C@@H](CC)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266619387 426751911 /nfs/dbraw/zinc/75/19/11/426751911.db2.gz KRMXXSMQHQYGDU-ZWKOTPCHSA-N 2 1 318.461 2.782 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000266623562 426753312 /nfs/dbraw/zinc/75/33/12/426753312.db2.gz MFXNTMSHOCXIQT-ZDUSSCGKSA-N 2 1 306.841 2.761 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245582145 426755246 /nfs/dbraw/zinc/75/52/46/426755246.db2.gz JBMCAVWAPPRPIA-HRCADAONSA-N 2 1 320.481 2.691 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000245582145 426755252 /nfs/dbraw/zinc/75/52/52/426755252.db2.gz JBMCAVWAPPRPIA-HRCADAONSA-N 2 1 320.481 2.691 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)nc1 ZINC000179128977 426756260 /nfs/dbraw/zinc/75/62/60/426756260.db2.gz SVNHDBMQSAEQTC-UONOGXRCSA-N 2 1 323.868 2.887 20 0 DFADMP CCn1nc(CN(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000290405990 426758037 /nfs/dbraw/zinc/75/80/37/426758037.db2.gz JSPLKQCPLMLKRE-RHSMWYFYSA-N 2 1 300.450 2.828 20 0 DFADMP c1cn2cc(CN3CC[C@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2s1 ZINC000179181303 426765115 /nfs/dbraw/zinc/76/51/15/426765115.db2.gz DXEOHEOSLKIGCN-CJNGLKHVSA-N 2 1 316.474 2.845 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3c[nH]nc3c2)CC1 ZINC000179528425 426799750 /nfs/dbraw/zinc/79/97/50/426799750.db2.gz WRTMPLYAIHJVPW-UHFFFAOYSA-N 2 1 309.417 2.751 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000246158384 426805716 /nfs/dbraw/zinc/80/57/16/426805716.db2.gz AAWHNEWITDXDRP-HUUCEWRRSA-N 2 1 303.450 2.713 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000246240492 426812456 /nfs/dbraw/zinc/81/24/56/426812456.db2.gz IUHAUMOJDMYVJW-TWMKSMIVSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000246240487 426812705 /nfs/dbraw/zinc/81/27/05/426812705.db2.gz IUHAUMOJDMYVJW-QZWWFDLISA-N 2 1 309.498 2.521 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000179702477 426813567 /nfs/dbraw/zinc/81/35/67/426813567.db2.gz SHEHAIHKSTZOCR-UHFFFAOYSA-N 2 1 306.479 2.950 20 0 DFADMP CC[C@H]1C[N@@H+]2CCC[C@H]2CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000246258713 426814854 /nfs/dbraw/zinc/81/48/54/426814854.db2.gz KQBGQFSMUWYBAP-HOTGVXAUSA-N 2 1 303.450 2.766 20 0 DFADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000246258713 426814857 /nfs/dbraw/zinc/81/48/57/426814857.db2.gz KQBGQFSMUWYBAP-HOTGVXAUSA-N 2 1 303.450 2.766 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000274679664 426816399 /nfs/dbraw/zinc/81/63/99/426816399.db2.gz ZWTNJIYPFSFPEV-YQGXSICGSA-N 2 1 302.462 2.956 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000274679664 426816405 /nfs/dbraw/zinc/81/64/05/426816405.db2.gz ZWTNJIYPFSFPEV-YQGXSICGSA-N 2 1 302.462 2.956 20 0 DFADMP Cc1cccc(N2CCC([NH2+]Cc3ccc(F)nc3)CC2)[nH+]1 ZINC000189117558 426819206 /nfs/dbraw/zinc/81/92/06/426819206.db2.gz YIIGVCWGMZPWBT-UHFFFAOYSA-N 2 1 300.381 2.683 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C1 ZINC000290689353 426819799 /nfs/dbraw/zinc/81/97/99/426819799.db2.gz MMHUWDDFTJJSEL-CQSZACIVSA-N 2 1 315.421 2.530 20 0 DFADMP CCc1ccccc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189207747 426828409 /nfs/dbraw/zinc/82/84/09/426828409.db2.gz NMXPSKSIYQMQGN-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1ccccc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189207747 426828412 /nfs/dbraw/zinc/82/84/12/426828412.db2.gz NMXPSKSIYQMQGN-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCCC1 ZINC000246721765 426857922 /nfs/dbraw/zinc/85/79/22/426857922.db2.gz LWKLZXLBHCUFQC-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000189245669 426833581 /nfs/dbraw/zinc/83/35/81/426833581.db2.gz RDQGXLQYIXGMJW-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000189245669 426833584 /nfs/dbraw/zinc/83/35/84/426833584.db2.gz RDQGXLQYIXGMJW-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282124914 426834100 /nfs/dbraw/zinc/83/41/00/426834100.db2.gz AZKJWPGZWOBZRL-YJBOKZPZSA-N 2 1 301.478 2.536 20 0 DFADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000282125031 426834687 /nfs/dbraw/zinc/83/46/87/426834687.db2.gz AZVDVZRDYDMLIU-KRWDZBQOSA-N 2 1 307.457 2.892 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000274797528 426838995 /nfs/dbraw/zinc/83/89/95/426838995.db2.gz MNCZHNHWYFFKIA-HYVNUMGLSA-N 2 1 317.477 2.715 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2cccs2)n1 ZINC000180230856 426847857 /nfs/dbraw/zinc/84/78/57/426847857.db2.gz QGUDBKRYSVYPDS-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2cccs2)n1 ZINC000180230856 426847861 /nfs/dbraw/zinc/84/78/61/426847861.db2.gz QGUDBKRYSVYPDS-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572567 426795614 /nfs/dbraw/zinc/79/56/14/426795614.db2.gz TYLIZTDYLGBNII-CRAIPNDOSA-N 2 1 311.429 2.857 20 0 DFADMP CC[C@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246088418 426796664 /nfs/dbraw/zinc/79/66/64/426796664.db2.gz UWTSXWOOSUHADI-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1(C)C ZINC000282443850 426916492 /nfs/dbraw/zinc/91/64/92/426916492.db2.gz SBNKORSFLRBVTM-OALUTQOASA-N 2 1 315.505 2.938 20 0 DFADMP OC1(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000309997262 426917644 /nfs/dbraw/zinc/91/76/44/426917644.db2.gz CEZQZBHNRAUVJS-MOPGFXCFSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000309997262 426917653 /nfs/dbraw/zinc/91/76/53/426917653.db2.gz CEZQZBHNRAUVJS-MOPGFXCFSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCCC1 ZINC000309997262 426917658 /nfs/dbraw/zinc/91/76/58/426917658.db2.gz CEZQZBHNRAUVJS-MOPGFXCFSA-N 2 1 314.473 2.745 20 0 DFADMP C[N@@H+](CCCNC(=O)c1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000309988034 426918072 /nfs/dbraw/zinc/91/80/72/426918072.db2.gz BSWHJPRIWYJWBG-UHFFFAOYSA-N 2 1 323.440 2.542 20 0 DFADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275792525 426918422 /nfs/dbraw/zinc/91/84/22/426918422.db2.gz ZHXKBTJYVFGQDJ-HNNXBMFYSA-N 2 1 313.449 2.857 20 0 DFADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275792525 426918424 /nfs/dbraw/zinc/91/84/24/426918424.db2.gz ZHXKBTJYVFGQDJ-HNNXBMFYSA-N 2 1 313.449 2.857 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954994 426919306 /nfs/dbraw/zinc/91/93/06/426919306.db2.gz IEZZAPMJLTYDHO-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954994 426919310 /nfs/dbraw/zinc/91/93/10/426919310.db2.gz IEZZAPMJLTYDHO-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954994 426919318 /nfs/dbraw/zinc/91/93/18/426919318.db2.gz IEZZAPMJLTYDHO-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000282232355 426860208 /nfs/dbraw/zinc/86/02/08/426860208.db2.gz IOPAEEQYUPQDBN-IBGZPJMESA-N 2 1 315.505 2.623 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290922213 426866117 /nfs/dbraw/zinc/86/61/17/426866117.db2.gz QQRVWJMADSRAKD-AWEZNQCLSA-N 2 1 301.438 2.560 20 0 DFADMP CN(C)C[C@@H]1C[N@@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000189510260 426873808 /nfs/dbraw/zinc/87/38/08/426873808.db2.gz VMCZNTOLNDQZIW-OTWHNJEPSA-N 2 1 302.462 2.759 20 0 DFADMP CN(C)C[C@@H]1C[N@H+]([C@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000189510260 426873810 /nfs/dbraw/zinc/87/38/10/426873810.db2.gz VMCZNTOLNDQZIW-OTWHNJEPSA-N 2 1 302.462 2.759 20 0 DFADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC000267331506 426874804 /nfs/dbraw/zinc/87/48/04/426874804.db2.gz JDGBWQITUWZHMH-AWEZNQCLSA-N 2 1 316.449 2.741 20 0 DFADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)cc[nH+]1 ZINC000267331506 426874807 /nfs/dbraw/zinc/87/48/07/426874807.db2.gz JDGBWQITUWZHMH-AWEZNQCLSA-N 2 1 316.449 2.741 20 0 DFADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)cc[nH+]1 ZINC000267331506 426874810 /nfs/dbraw/zinc/87/48/10/426874810.db2.gz JDGBWQITUWZHMH-AWEZNQCLSA-N 2 1 316.449 2.741 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000246868258 426874993 /nfs/dbraw/zinc/87/49/93/426874993.db2.gz DIBMUMJBUSUWHS-MAUKXSAKSA-N 2 1 315.461 2.633 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000246868258 426874999 /nfs/dbraw/zinc/87/49/99/426874999.db2.gz DIBMUMJBUSUWHS-MAUKXSAKSA-N 2 1 315.461 2.633 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000275685232 426895524 /nfs/dbraw/zinc/89/55/24/426895524.db2.gz IQTQWEOXYQMIFF-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000247082037 426901152 /nfs/dbraw/zinc/90/11/52/426901152.db2.gz QYJRSLUMKRSRDR-GOEBONIOSA-N 2 1 304.434 2.668 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000247082037 426901156 /nfs/dbraw/zinc/90/11/56/426901156.db2.gz QYJRSLUMKRSRDR-GOEBONIOSA-N 2 1 304.434 2.668 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000247082053 426902182 /nfs/dbraw/zinc/90/21/82/426902182.db2.gz QYJRSLUMKRSRDR-HOCLYGCPSA-N 2 1 304.434 2.668 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H](C)C1 ZINC000247082053 426902188 /nfs/dbraw/zinc/90/21/88/426902188.db2.gz QYJRSLUMKRSRDR-HOCLYGCPSA-N 2 1 304.434 2.668 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000247159129 426910223 /nfs/dbraw/zinc/91/02/23/426910223.db2.gz XRTJYGJZVRRXQE-RTBURBONSA-N 2 1 304.478 2.954 20 0 DFADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247202573 426913087 /nfs/dbraw/zinc/91/30/87/426913087.db2.gz WMFITVLNSJTKQW-GOEBONIOSA-N 2 1 303.450 2.998 20 0 DFADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247202573 426913095 /nfs/dbraw/zinc/91/30/95/426913095.db2.gz WMFITVLNSJTKQW-GOEBONIOSA-N 2 1 303.450 2.998 20 0 DFADMP CC[C@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)CC[C@@H]1[NH3+] ZINC000316909270 426951691 /nfs/dbraw/zinc/95/16/91/426951691.db2.gz VHBCBNNTYYNLLS-STQMWFEESA-N 2 1 320.462 2.790 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(C)C ZINC000181540649 426960069 /nfs/dbraw/zinc/96/00/69/426960069.db2.gz JJJMSBOIVJNVCQ-HOTGVXAUSA-N 2 1 314.433 2.869 20 0 DFADMP OC[C@@]1(Cc2ccccc2)CCC[N@@H+](CCCn2ccnc2)C1 ZINC000291712273 426962333 /nfs/dbraw/zinc/96/23/33/426962333.db2.gz IPOGOIFLWAVKBC-LJQANCHMSA-N 2 1 313.445 2.590 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)[C@H](C)C1 ZINC000248199645 426986254 /nfs/dbraw/zinc/98/62/54/426986254.db2.gz YFNVEPIXJAMATC-AOIWGVFYSA-N 2 1 301.478 2.975 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000248215791 426987072 /nfs/dbraw/zinc/98/70/72/426987072.db2.gz ZPRYVOGAAHCYRA-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000314699362 426930862 /nfs/dbraw/zinc/93/08/62/426930862.db2.gz JMZMEVPETMNKAC-RHSMWYFYSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000314699362 426930868 /nfs/dbraw/zinc/93/08/68/426930868.db2.gz JMZMEVPETMNKAC-RHSMWYFYSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C[NH+](C)C ZINC000291662084 426943760 /nfs/dbraw/zinc/94/37/60/426943760.db2.gz FERLHIIBDYIZGH-CYBMUJFWSA-N 2 1 306.841 2.813 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(CN3C[C@H](CC(C)(C)C)OC3=O)CC[C@@H]21 ZINC000248884012 427059432 /nfs/dbraw/zinc/05/94/32/427059432.db2.gz DPAXDJHWKZIPIV-PMPSAXMXSA-N 2 1 323.481 2.617 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1ccnn1CC ZINC000283329422 426995349 /nfs/dbraw/zinc/99/53/49/426995349.db2.gz YYYJKIVMYWDICF-UHFFFAOYSA-N 2 1 303.454 2.617 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1ccnn1CC ZINC000283329422 426995357 /nfs/dbraw/zinc/99/53/57/426995357.db2.gz YYYJKIVMYWDICF-UHFFFAOYSA-N 2 1 303.454 2.617 20 0 DFADMP C[C@@H]([NH2+]CCOCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276158730 426996630 /nfs/dbraw/zinc/99/66/30/426996630.db2.gz CYODOKXKDAISDP-GDBMZVCRSA-N 2 1 312.404 2.768 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248557433 427013361 /nfs/dbraw/zinc/01/33/61/427013361.db2.gz IMPBMCLFDHGMOP-QAETUUGQSA-N 2 1 323.525 2.922 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248557433 427013367 /nfs/dbraw/zinc/01/33/67/427013367.db2.gz IMPBMCLFDHGMOP-QAETUUGQSA-N 2 1 323.525 2.922 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248583495 427016989 /nfs/dbraw/zinc/01/69/89/427016989.db2.gz PGWKFHQPOQYTAF-ULQDDVLXSA-N 2 1 323.525 2.924 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248583495 427016996 /nfs/dbraw/zinc/01/69/96/427016996.db2.gz PGWKFHQPOQYTAF-ULQDDVLXSA-N 2 1 323.525 2.924 20 0 DFADMP CCn1nccc1CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000276295223 427030632 /nfs/dbraw/zinc/03/06/32/427030632.db2.gz ISMNTNSVOOBROA-MRXNPFEDSA-N 2 1 313.449 2.583 20 0 DFADMP CCn1nccc1CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000276295223 427030639 /nfs/dbraw/zinc/03/06/39/427030639.db2.gz ISMNTNSVOOBROA-MRXNPFEDSA-N 2 1 313.449 2.583 20 0 DFADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000268542353 427048426 /nfs/dbraw/zinc/04/84/26/427048426.db2.gz LGIJGYMEPVTOKC-CABCVRRESA-N 2 1 322.416 2.931 20 0 DFADMP C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[C@H](c2ncc[nH]2)C1 ZINC000268542353 427048432 /nfs/dbraw/zinc/04/84/32/427048432.db2.gz LGIJGYMEPVTOKC-CABCVRRESA-N 2 1 322.416 2.931 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000268563081 427054803 /nfs/dbraw/zinc/05/48/03/427054803.db2.gz POHGNDKYBAEOSN-ROUUACIJSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000268563081 427054812 /nfs/dbraw/zinc/05/48/12/427054812.db2.gz POHGNDKYBAEOSN-ROUUACIJSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000268563081 427054820 /nfs/dbraw/zinc/05/48/20/427054820.db2.gz POHGNDKYBAEOSN-ROUUACIJSA-N 2 1 316.493 2.998 20 0 DFADMP CC(C)OC(=O)c1ccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292037586 427067743 /nfs/dbraw/zinc/06/77/43/427067743.db2.gz AAUPOMIURLCJHF-IBGZPJMESA-N 2 1 316.445 2.779 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292037586 427067750 /nfs/dbraw/zinc/06/77/50/427067750.db2.gz AAUPOMIURLCJHF-IBGZPJMESA-N 2 1 316.445 2.779 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292037586 427067756 /nfs/dbraw/zinc/06/77/56/427067756.db2.gz AAUPOMIURLCJHF-IBGZPJMESA-N 2 1 316.445 2.779 20 0 DFADMP C[N@@H+](C[C@@H]1CC=CCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190318805 427074483 /nfs/dbraw/zinc/07/44/83/427074483.db2.gz ANLQVIPFKNEHTI-UYAOXDASSA-N 2 1 314.473 2.912 20 0 DFADMP C[N@H+](C[C@@H]1CC=CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190318805 427074488 /nfs/dbraw/zinc/07/44/88/427074488.db2.gz ANLQVIPFKNEHTI-UYAOXDASSA-N 2 1 314.473 2.912 20 0 DFADMP C[N@@H+](C[C@@H]1CC=CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000190318805 427074498 /nfs/dbraw/zinc/07/44/98/427074498.db2.gz ANLQVIPFKNEHTI-UYAOXDASSA-N 2 1 314.473 2.912 20 0 DFADMP C[NH+](C[C@@H]1CC=CCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000190318805 427074504 /nfs/dbraw/zinc/07/45/04/427074504.db2.gz ANLQVIPFKNEHTI-UYAOXDASSA-N 2 1 314.473 2.912 20 0 DFADMP C[NH+](C[C@@H]1CC=CCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000190318805 427074508 /nfs/dbraw/zinc/07/45/08/427074508.db2.gz ANLQVIPFKNEHTI-UYAOXDASSA-N 2 1 314.473 2.912 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c2C1 ZINC000249034107 427077184 /nfs/dbraw/zinc/07/71/84/427077184.db2.gz MJODTFRUUVSERK-KGLIPLIRSA-N 2 1 303.450 2.970 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@@H]1CCCF ZINC000337991104 427079760 /nfs/dbraw/zinc/07/97/60/427079760.db2.gz WSGFJAYLXZKXIW-IXDOHACOSA-N 2 1 300.462 2.731 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000276488629 427080777 /nfs/dbraw/zinc/08/07/77/427080777.db2.gz SCCNYQOZCXRELA-SFHVURJKSA-N 2 1 317.477 2.624 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000338008591 427090797 /nfs/dbraw/zinc/09/07/97/427090797.db2.gz PQYVJDYRVWDTML-SFHVURJKSA-N 2 1 307.401 2.751 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c(OC)c1 ZINC000338011521 427091845 /nfs/dbraw/zinc/09/18/45/427091845.db2.gz MGLOAJQXKWESIW-CYBMUJFWSA-N 2 1 303.406 2.950 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000268697097 427092805 /nfs/dbraw/zinc/09/28/05/427092805.db2.gz CMKWVJCFDQNHKI-AWEZNQCLSA-N 2 1 306.454 2.819 20 0 DFADMP C[C@@H]1C[C@H](NCC(C)(C)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268701102 427092820 /nfs/dbraw/zinc/09/28/20/427092820.db2.gz FPSVIKRINAQEDY-SJLPKXTDSA-N 3 1 303.494 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338021646 427098010 /nfs/dbraw/zinc/09/80/10/427098010.db2.gz XHHGNJWWQJDHKJ-BHIYHBOVSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338021646 427098019 /nfs/dbraw/zinc/09/80/19/427098019.db2.gz XHHGNJWWQJDHKJ-BHIYHBOVSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338021646 427098026 /nfs/dbraw/zinc/09/80/26/427098026.db2.gz XHHGNJWWQJDHKJ-BHIYHBOVSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338021646 427098030 /nfs/dbraw/zinc/09/80/30/427098030.db2.gz XHHGNJWWQJDHKJ-BHIYHBOVSA-N 2 1 315.505 2.827 20 0 DFADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC)c(OC)c1 ZINC000276605366 427111491 /nfs/dbraw/zinc/11/14/91/427111491.db2.gz FYGJJTNUCBRAQG-OAHLLOKOSA-N 2 1 303.406 2.721 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268773440 427111644 /nfs/dbraw/zinc/11/16/44/427111644.db2.gz UQTSPLZYXGKTQC-HKUYNNGSSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000268773440 427111650 /nfs/dbraw/zinc/11/16/50/427111650.db2.gz UQTSPLZYXGKTQC-HKUYNNGSSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338048265 427114521 /nfs/dbraw/zinc/11/45/21/427114521.db2.gz ANRHQTBZQKXZOA-NCOADZHNSA-N 2 1 323.525 2.874 20 0 DFADMP C[C@@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338048265 427114523 /nfs/dbraw/zinc/11/45/23/427114523.db2.gz ANRHQTBZQKXZOA-NCOADZHNSA-N 2 1 323.525 2.874 20 0 DFADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338048265 427114527 /nfs/dbraw/zinc/11/45/27/427114527.db2.gz ANRHQTBZQKXZOA-NCOADZHNSA-N 2 1 323.525 2.874 20 0 DFADMP Cc1noc(C2CCC([NH2+]C[C@H](C)Cn3cc[nH+]c3C)CC2)n1 ZINC000292195345 427126506 /nfs/dbraw/zinc/12/65/06/427126506.db2.gz PFUXHXJDEJDLJC-JQRITLKVSA-N 2 1 317.437 2.835 20 0 DFADMP C[N@@H+](CCCn1ccnc1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182803913 427149691 /nfs/dbraw/zinc/14/96/91/427149691.db2.gz WMKBYJYSFGRQHD-IBGZPJMESA-N 2 1 312.461 2.727 20 0 DFADMP C[NH+](CCCn1ccnc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182803913 427149698 /nfs/dbraw/zinc/14/96/98/427149698.db2.gz WMKBYJYSFGRQHD-IBGZPJMESA-N 2 1 312.461 2.727 20 0 DFADMP C[NH+](CCCn1ccnc1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182803913 427149707 /nfs/dbraw/zinc/14/97/07/427149707.db2.gz WMKBYJYSFGRQHD-IBGZPJMESA-N 2 1 312.461 2.727 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000269043758 427149829 /nfs/dbraw/zinc/14/98/29/427149829.db2.gz XWSMGYWBSCPVSD-HRAJDOBDSA-N 2 1 304.478 2.859 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)C[NH2+]C)c1 ZINC000269263016 427156236 /nfs/dbraw/zinc/15/62/36/427156236.db2.gz NMZVLRYFHIYWLT-MRXNPFEDSA-N 2 1 319.493 2.780 20 0 DFADMP CC[C@H](C)[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000158172133 271075117 /nfs/dbraw/zinc/07/51/17/271075117.db2.gz MBDSYTZLYCSQSJ-IRXDYDNUSA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000158172133 271075119 /nfs/dbraw/zinc/07/51/19/271075119.db2.gz MBDSYTZLYCSQSJ-IRXDYDNUSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000174201317 271132825 /nfs/dbraw/zinc/13/28/25/271132825.db2.gz YEMDJTUQGCPKSO-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP [NH3+]CCCCCCC(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000237987541 271254731 /nfs/dbraw/zinc/25/47/31/271254731.db2.gz DBCQCNLWXMOLQI-SFHVURJKSA-N 2 1 317.477 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000338172497 427170017 /nfs/dbraw/zinc/17/00/17/427170017.db2.gz IEXGTNWJEQTSQC-HOTGVXAUSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000338183124 427177223 /nfs/dbraw/zinc/17/72/23/427177223.db2.gz ACSCFYJUQZPPCB-QAPCUYQASA-N 2 1 317.477 2.741 20 0 DFADMP COC(=O)c1csc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296548097 427219225 /nfs/dbraw/zinc/21/92/25/427219225.db2.gz RJJOMYMWKOLFNI-NDNKKMJESA-N 2 1 308.447 2.811 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296548097 427219242 /nfs/dbraw/zinc/21/92/42/427219242.db2.gz RJJOMYMWKOLFNI-NDNKKMJESA-N 2 1 308.447 2.811 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2nccn2C)C[N@H+]1Cc1ccccc1 ZINC000338197604 427186927 /nfs/dbraw/zinc/18/69/27/427186927.db2.gz OZBMOKGGPAXBHO-WMZOPIPTSA-N 2 1 312.461 2.810 20 0 DFADMP Cc1cnc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)s1 ZINC000296474135 427191913 /nfs/dbraw/zinc/19/19/13/427191913.db2.gz PSIXCOZIIZNXCC-UHFFFAOYSA-N 2 1 305.447 2.682 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000292517219 427193138 /nfs/dbraw/zinc/19/31/38/427193138.db2.gz BJZYHJMTPJWQGD-CYBMUJFWSA-N 2 1 311.495 2.660 20 0 DFADMP Cc1cc(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000284429718 427194130 /nfs/dbraw/zinc/19/41/30/427194130.db2.gz DAJXKDKFCXXNJY-MSOLQXFVSA-N 2 1 315.392 2.592 20 0 DFADMP C[C@@H](CO)C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132099 427206943 /nfs/dbraw/zinc/20/69/43/427206943.db2.gz GGAVIIJAEMBEMR-BVBHFADKSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(Cl)c1F ZINC000191004946 427226671 /nfs/dbraw/zinc/22/66/71/427226671.db2.gz JPKMUCHYHDNXPZ-UHFFFAOYSA-N 2 1 313.848 2.548 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000191000685 427227835 /nfs/dbraw/zinc/22/78/35/427227835.db2.gz RZDTYSOGSXYYCL-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000191000685 427227841 /nfs/dbraw/zinc/22/78/41/427227841.db2.gz RZDTYSOGSXYYCL-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000296730436 427230859 /nfs/dbraw/zinc/23/08/59/427230859.db2.gz IOXJSTYNTWGEAU-OALUTQOASA-N 2 1 311.429 2.707 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccc(F)c3)CC2)CC1 ZINC000269625535 427234504 /nfs/dbraw/zinc/23/45/04/427234504.db2.gz GCDJMRDUTVPABR-UHFFFAOYSA-N 2 1 319.468 2.816 20 0 DFADMP C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338284867 427234858 /nfs/dbraw/zinc/23/48/58/427234858.db2.gz KIQHRXUOTCYKOB-NEWSRXKRSA-N 2 1 322.493 2.868 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338284867 427234865 /nfs/dbraw/zinc/23/48/65/427234865.db2.gz KIQHRXUOTCYKOB-NEWSRXKRSA-N 2 1 322.493 2.868 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338284867 427234874 /nfs/dbraw/zinc/23/48/74/427234874.db2.gz KIQHRXUOTCYKOB-NEWSRXKRSA-N 2 1 322.493 2.868 20 0 DFADMP CC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000293183247 427236468 /nfs/dbraw/zinc/23/64/68/427236468.db2.gz DTHAGMDUWBGZOH-UHFFFAOYSA-N 2 1 300.446 2.954 20 0 DFADMP COCC[NH+]1CCC([NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000285493579 427250586 /nfs/dbraw/zinc/25/05/86/427250586.db2.gz PMXKNFAMJDSBLC-NSCUHMNNSA-N 2 1 310.388 2.678 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338317237 427254653 /nfs/dbraw/zinc/25/46/53/427254653.db2.gz PLQAYRKABGKQBN-KBPBESRZSA-N 2 1 304.425 2.589 20 0 DFADMP CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)COC1 ZINC000338327881 427263204 /nfs/dbraw/zinc/26/32/04/427263204.db2.gz OGIWABVYLJOERM-QGZVFWFLSA-N 2 1 302.462 2.913 20 0 DFADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)COC1 ZINC000338327881 427263209 /nfs/dbraw/zinc/26/32/09/427263209.db2.gz OGIWABVYLJOERM-QGZVFWFLSA-N 2 1 302.462 2.913 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Oc2cc(F)cc(F)c2)CC1 ZINC000285550139 427268939 /nfs/dbraw/zinc/26/89/39/427268939.db2.gz DVVYWAPJORTFKB-DLBZAZTESA-N 2 1 310.388 2.949 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293283959 427274335 /nfs/dbraw/zinc/27/43/35/427274335.db2.gz OGHYANZUSOAHMP-SFHVURJKSA-N 2 1 320.452 2.991 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H]2CCOC2=O)cc1 ZINC000183687005 427319271 /nfs/dbraw/zinc/31/92/71/427319271.db2.gz HROSSZGZIWMWHT-XJKSGUPXSA-N 2 1 313.401 2.785 20 0 DFADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434745 427319270 /nfs/dbraw/zinc/31/92/70/427319270.db2.gz FOYKUKDTWWWWGU-MRXNPFEDSA-N 2 1 324.472 2.969 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)c2O1 ZINC000262135733 427352920 /nfs/dbraw/zinc/35/29/20/427352920.db2.gz LXFIAUNRDHWWOW-BHYGNILZSA-N 2 1 300.446 2.959 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000285742404 427325256 /nfs/dbraw/zinc/32/52/56/427325256.db2.gz YFVUYPBVACPFBF-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000285742404 427325264 /nfs/dbraw/zinc/32/52/64/427325264.db2.gz YFVUYPBVACPFBF-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000285742404 427325269 /nfs/dbraw/zinc/32/52/69/427325269.db2.gz YFVUYPBVACPFBF-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000285742377 427326039 /nfs/dbraw/zinc/32/60/39/427326039.db2.gz YFVUYPBVACPFBF-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000285742377 427326043 /nfs/dbraw/zinc/32/60/43/427326043.db2.gz YFVUYPBVACPFBF-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@H]4CCCO4)C3)C2)cc1 ZINC000285742377 427326048 /nfs/dbraw/zinc/32/60/48/427326048.db2.gz YFVUYPBVACPFBF-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000270363847 427335530 /nfs/dbraw/zinc/33/55/30/427335530.db2.gz HNFBZLWTIDPGCG-QGZVFWFLSA-N 2 1 303.450 2.870 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000285787220 427337358 /nfs/dbraw/zinc/33/73/58/427337358.db2.gz FEJBKBCQZBWSRQ-AEFFLSMTSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285787220 427337364 /nfs/dbraw/zinc/33/73/64/427337364.db2.gz FEJBKBCQZBWSRQ-AEFFLSMTSA-N 2 1 312.461 2.729 20 0 DFADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000261805769 427341872 /nfs/dbraw/zinc/34/18/72/427341872.db2.gz HISJXRYYEAGECP-KRWDZBQOSA-N 2 1 306.425 2.806 20 0 DFADMP CCN(C)c1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)cn1 ZINC000191400951 427341947 /nfs/dbraw/zinc/34/19/47/427341947.db2.gz HFJZJPYVHQPBDJ-KRWDZBQOSA-N 2 1 304.482 2.844 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000261855013 427343373 /nfs/dbraw/zinc/34/33/73/427343373.db2.gz WEASFCWXBROTSK-MAUKXSAKSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262009295 427346938 /nfs/dbraw/zinc/34/69/38/427346938.db2.gz UWGFPNWQLXEDQT-IRXDYDNUSA-N 2 1 324.472 2.745 20 0 DFADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262009295 427346944 /nfs/dbraw/zinc/34/69/44/427346944.db2.gz UWGFPNWQLXEDQT-IRXDYDNUSA-N 2 1 324.472 2.745 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000269861968 427294353 /nfs/dbraw/zinc/29/43/53/427294353.db2.gz JKCYFOSVISGCGB-NZSAHSFTSA-N 2 1 300.446 2.769 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000269861968 427294356 /nfs/dbraw/zinc/29/43/56/427294356.db2.gz JKCYFOSVISGCGB-NZSAHSFTSA-N 2 1 300.446 2.769 20 0 DFADMP Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1 ZINC000285642202 427295921 /nfs/dbraw/zinc/29/59/21/427295921.db2.gz XUYITCLWPNHHNG-SJPCQFCGSA-N 2 1 315.461 2.799 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)c3cccnc3)C2)CC1 ZINC000297267706 427377860 /nfs/dbraw/zinc/37/78/60/427377860.db2.gz WNFRJILLOQVXMI-HKUYNNGSSA-N 2 1 317.477 2.559 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)c3cccnc3)C2)CC1 ZINC000297267706 427377871 /nfs/dbraw/zinc/37/78/71/427377871.db2.gz WNFRJILLOQVXMI-HKUYNNGSSA-N 2 1 317.477 2.559 20 0 DFADMP COCCOc1ccccc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293619699 427385447 /nfs/dbraw/zinc/38/54/47/427385447.db2.gz KPZVXOMNEUGSFH-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293619699 427385469 /nfs/dbraw/zinc/38/54/69/427385469.db2.gz KPZVXOMNEUGSFH-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293619699 427385476 /nfs/dbraw/zinc/38/54/76/427385476.db2.gz KPZVXOMNEUGSFH-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP CCn1nccc1CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338573261 427388521 /nfs/dbraw/zinc/38/85/21/427388521.db2.gz UFBILZKXCUUKSI-HOTGVXAUSA-N 2 1 304.482 2.688 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049627 427390100 /nfs/dbraw/zinc/39/01/00/427390100.db2.gz WQBUBOKGMJUEEW-MOPGFXCFSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049627 427390108 /nfs/dbraw/zinc/39/01/08/427390108.db2.gz WQBUBOKGMJUEEW-MOPGFXCFSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049627 427390114 /nfs/dbraw/zinc/39/01/14/427390114.db2.gz WQBUBOKGMJUEEW-MOPGFXCFSA-N 2 1 302.462 2.744 20 0 DFADMP c1c[nH]c([C@H]([NH2+]CCCCC[NH+]2CCCC2)c2cccnc2)n1 ZINC000293634863 427391838 /nfs/dbraw/zinc/39/18/38/427391838.db2.gz GTCBJUKLADZBJA-QGZVFWFLSA-N 2 1 313.449 2.750 20 0 DFADMP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000293678778 427405133 /nfs/dbraw/zinc/40/51/33/427405133.db2.gz NCAJNRYKAWBBKQ-JYJNAYRXSA-N 2 1 303.425 2.621 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cscn1 ZINC000271116575 427407107 /nfs/dbraw/zinc/40/71/07/427407107.db2.gz INJYXGWVTNAHKP-ZDUSSCGKSA-N 2 1 305.447 2.934 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CO2 ZINC000297504821 427407342 /nfs/dbraw/zinc/40/73/42/427407342.db2.gz CDVQIGKTYNGREB-DOTOQJQBSA-N 2 1 318.461 2.709 20 0 DFADMP Fc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000297503069 427407467 /nfs/dbraw/zinc/40/74/67/427407467.db2.gz VFLAXNBXTLACIS-HNNXBMFYSA-N 2 1 303.425 2.621 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000183942231 427360585 /nfs/dbraw/zinc/36/05/85/427360585.db2.gz CSUXZZRIPWSEJL-QGZVFWFLSA-N 2 1 323.431 2.836 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000191492375 427361104 /nfs/dbraw/zinc/36/11/04/427361104.db2.gz OXMBJICNRBJALF-KRWDZBQOSA-N 2 1 301.434 2.891 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)c1ccccc1 ZINC000191492375 427361110 /nfs/dbraw/zinc/36/11/10/427361110.db2.gz OXMBJICNRBJALF-KRWDZBQOSA-N 2 1 301.434 2.891 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)c1ccccc1 ZINC000191492375 427361118 /nfs/dbraw/zinc/36/11/18/427361118.db2.gz OXMBJICNRBJALF-KRWDZBQOSA-N 2 1 301.434 2.891 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000285883048 427363194 /nfs/dbraw/zinc/36/31/94/427363194.db2.gz ZPQANBJGUPDCTF-QWHCGFSZSA-N 2 1 310.463 2.917 20 0 DFADMP CCN(Cc1ccn(C)n1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271206109 427449826 /nfs/dbraw/zinc/44/98/26/427449826.db2.gz ZUNHDBBKAROPEN-GOSISDBHSA-N 2 1 312.461 2.764 20 0 DFADMP CC(C)c1cc(N2CC[C@@]3(C2)CCC[N@H+](C)C3)nc(N(C)C)[nH+]1 ZINC000338749255 427466873 /nfs/dbraw/zinc/46/68/73/427466873.db2.gz ZKJLXTOCFBEURC-SFHVURJKSA-N 2 1 317.481 2.588 20 0 DFADMP CC(C)c1cc(N2CC[C@@]3(C2)CCC[N@@H+](C)C3)nc(N(C)C)[nH+]1 ZINC000338749255 427466878 /nfs/dbraw/zinc/46/68/78/427466878.db2.gz ZKJLXTOCFBEURC-SFHVURJKSA-N 2 1 317.481 2.588 20 0 DFADMP C=Cn1cc(CN[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000278857327 427478789 /nfs/dbraw/zinc/47/87/89/427478789.db2.gz LRSGNGAANJOXPN-APWZRJJASA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000278857327 427478795 /nfs/dbraw/zinc/47/87/95/427478795.db2.gz LRSGNGAANJOXPN-APWZRJJASA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000278857327 427478799 /nfs/dbraw/zinc/47/87/99/427478799.db2.gz LRSGNGAANJOXPN-APWZRJJASA-N 2 1 310.445 2.984 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271283177 427483315 /nfs/dbraw/zinc/48/33/15/427483315.db2.gz OLNZFMRSGFFTHX-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCOC2)C3)cc1 ZINC000278157229 427421305 /nfs/dbraw/zinc/42/13/05/427421305.db2.gz BBSYUOVQJXLIJX-OKYOBFRVSA-N 2 1 300.446 2.808 20 0 DFADMP Cc1ccc(F)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000271162484 427423108 /nfs/dbraw/zinc/42/31/08/427423108.db2.gz LUHZMALKUBAGFQ-HNNXBMFYSA-N 2 1 308.441 2.659 20 0 DFADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@H]3O)cc2)c1 ZINC000263163820 427425809 /nfs/dbraw/zinc/42/58/09/427425809.db2.gz FAWOPCLUVVHCRS-WOJBJXKFSA-N 2 1 310.441 2.640 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000297686685 427430839 /nfs/dbraw/zinc/43/08/39/427430839.db2.gz POBCOKOQYYELQL-QGZVFWFLSA-N 2 1 319.836 2.607 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]2C)C1 ZINC000293779567 427433711 /nfs/dbraw/zinc/43/37/11/427433711.db2.gz QBDWMIDZMICMHU-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)[C@@H]2C)C1 ZINC000293779567 427433723 /nfs/dbraw/zinc/43/37/23/427433723.db2.gz QBDWMIDZMICMHU-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000293779567 427433725 /nfs/dbraw/zinc/43/37/25/427433725.db2.gz QBDWMIDZMICMHU-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C1 ZINC000293779567 427433732 /nfs/dbraw/zinc/43/37/32/427433732.db2.gz QBDWMIDZMICMHU-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CCc1oc2ccccc2c1C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000271182510 427435783 /nfs/dbraw/zinc/43/57/83/427435783.db2.gz XUXXHPBWFVNAQY-UHFFFAOYSA-N 2 1 316.445 2.884 20 0 DFADMP CCc1oc2ccccc2c1C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000271182510 427435789 /nfs/dbraw/zinc/43/57/89/427435789.db2.gz XUXXHPBWFVNAQY-UHFFFAOYSA-N 2 1 316.445 2.884 20 0 DFADMP C[N@@H+](C[C@H]1CCSC1)C1CCN(CCc2ccccn2)CC1 ZINC000278412433 427437284 /nfs/dbraw/zinc/43/72/84/427437284.db2.gz HGZQVRNKGLYAMM-MRXNPFEDSA-N 2 1 319.518 2.773 20 0 DFADMP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000293956456 427502977 /nfs/dbraw/zinc/50/29/77/427502977.db2.gz ZQTRZRFYQBUZLA-ROUUACIJSA-N 2 1 302.462 2.708 20 0 DFADMP C=Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000278945920 427510267 /nfs/dbraw/zinc/51/02/67/427510267.db2.gz YLIZWZRJVNZOIV-VQIMIIECSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000278945920 427510272 /nfs/dbraw/zinc/51/02/72/427510272.db2.gz YLIZWZRJVNZOIV-VQIMIIECSA-N 2 1 310.445 2.984 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](O)CC1 ZINC000294023101 427523513 /nfs/dbraw/zinc/52/35/13/427523513.db2.gz NPBCTEKJLYVNGO-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](O)CC1 ZINC000294023101 427523520 /nfs/dbraw/zinc/52/35/20/427523520.db2.gz NPBCTEKJLYVNGO-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](O)CC1 ZINC000294023101 427523524 /nfs/dbraw/zinc/52/35/24/427523524.db2.gz NPBCTEKJLYVNGO-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000263682130 427539739 /nfs/dbraw/zinc/53/97/39/427539739.db2.gz NRSTZVLDFWDABM-QLFBSQMISA-N 2 1 303.450 2.948 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2F)CC1 ZINC000263736237 427555832 /nfs/dbraw/zinc/55/58/32/427555832.db2.gz TZTPDEKXEKZLGT-UHFFFAOYSA-N 2 1 321.440 2.959 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+]([C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456374 427544224 /nfs/dbraw/zinc/54/42/24/427544224.db2.gz VXPDXTPHRFXALH-QRVBRYPASA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+]([C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456374 427544231 /nfs/dbraw/zinc/54/42/31/427544231.db2.gz VXPDXTPHRFXALH-QRVBRYPASA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+]([C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456374 427544236 /nfs/dbraw/zinc/54/42/36/427544236.db2.gz VXPDXTPHRFXALH-QRVBRYPASA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+]([C@@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456374 427544244 /nfs/dbraw/zinc/54/42/44/427544244.db2.gz VXPDXTPHRFXALH-QRVBRYPASA-N 2 1 300.446 2.762 20 0 DFADMP C[NH+](C)CCOc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000263718960 427550437 /nfs/dbraw/zinc/55/04/37/427550437.db2.gz AZLDQHFEIXAQSJ-UHFFFAOYSA-N 2 1 311.389 2.510 20 0 DFADMP C[NH+](C)CCOc1ccc(CNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000263728875 427552045 /nfs/dbraw/zinc/55/20/45/427552045.db2.gz CGEOVAJYVSWWQP-UHFFFAOYSA-N 2 1 311.389 2.510 20 0 DFADMP C[N@@H+](CCN1CCC[C@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000279080392 427552396 /nfs/dbraw/zinc/55/23/96/427552396.db2.gz ACGIGNADPKJFEN-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP CCN(CCCNC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000279253989 427614805 /nfs/dbraw/zinc/61/48/05/427614805.db2.gz UDOCOONZFVPKKL-IRXDYDNUSA-N 2 1 317.477 2.750 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000272052951 427615540 /nfs/dbraw/zinc/61/55/40/427615540.db2.gz QSCUVNVPFKQKEL-GOSISDBHSA-N 2 1 313.401 2.704 20 0 DFADMP COC1(CC[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCC1 ZINC000294310405 427617238 /nfs/dbraw/zinc/61/72/38/427617238.db2.gz XJMWXDOJHLLUGI-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(CC[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCC1 ZINC000294310405 427617246 /nfs/dbraw/zinc/61/72/46/427617246.db2.gz XJMWXDOJHLLUGI-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(CC[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCC1 ZINC000294310405 427617252 /nfs/dbraw/zinc/61/72/52/427617252.db2.gz XJMWXDOJHLLUGI-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(CC[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCC1 ZINC000294310405 427617258 /nfs/dbraw/zinc/61/72/58/427617258.db2.gz XJMWXDOJHLLUGI-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271503837 427563934 /nfs/dbraw/zinc/56/39/34/427563934.db2.gz MMDJCSSPYWIWMF-JENIJYKNSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271503837 427563948 /nfs/dbraw/zinc/56/39/48/427563948.db2.gz MMDJCSSPYWIWMF-JENIJYKNSA-N 2 1 304.478 2.895 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000272067828 427623102 /nfs/dbraw/zinc/62/31/02/427623102.db2.gz UBMAATIEIQUHAS-UHFFFAOYSA-N 2 1 317.824 2.912 20 0 DFADMP COC1(CC[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000338952820 427583329 /nfs/dbraw/zinc/58/33/29/427583329.db2.gz DZEBNWHFQNQEQE-CALCHBBNSA-N 2 1 324.509 2.767 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000271826458 427588507 /nfs/dbraw/zinc/58/85/07/427588507.db2.gz NXWMOPYRMYRHQV-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2Br)CC1 ZINC000271826458 427588515 /nfs/dbraw/zinc/58/85/15/427588515.db2.gz NXWMOPYRMYRHQV-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP CC1(C)CCC(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000332375151 427596347 /nfs/dbraw/zinc/59/63/47/427596347.db2.gz XMUWFLGDQRKWOT-INIZCTEOSA-N 2 1 305.470 2.590 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H]2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298507436 427631690 /nfs/dbraw/zinc/63/16/90/427631690.db2.gz QSGQSXDCUXSPCD-FQEVSTJZSA-N 2 1 313.489 2.867 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000287543598 427634399 /nfs/dbraw/zinc/63/43/99/427634399.db2.gz PLTGLAQKEAVMAE-WOSRLPQWSA-N 2 1 305.422 2.683 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192909635 427635655 /nfs/dbraw/zinc/63/56/55/427635655.db2.gz ARYJQMSTRHGYPJ-WZYMTQMTSA-N 2 1 304.434 2.677 20 0 DFADMP CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccnc1 ZINC000185352845 427641152 /nfs/dbraw/zinc/64/11/52/427641152.db2.gz CFRWONVAXRYZFD-LJQANCHMSA-N 2 1 318.509 2.786 20 0 DFADMP COCc1cc(CNCc2cccc(C[N@@H+](C)C(C)C)c2)no1 ZINC000298565922 427651949 /nfs/dbraw/zinc/65/19/49/427651949.db2.gz WOGULDIFPOQIBO-UHFFFAOYSA-N 2 1 317.433 2.951 20 0 DFADMP Cc1nocc1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000294758096 427653329 /nfs/dbraw/zinc/65/33/29/427653329.db2.gz RYECWTDUFDBXBX-HNNXBMFYSA-N 2 1 300.406 2.814 20 0 DFADMP Cc1nocc1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000294758096 427653336 /nfs/dbraw/zinc/65/33/36/427653336.db2.gz RYECWTDUFDBXBX-HNNXBMFYSA-N 2 1 300.406 2.814 20 0 DFADMP Cc1nn2c(C[NH2+]C3CC(C)(C)[NH2+]C(C)(C)C3)c(C)nc2s1 ZINC000272161402 427655600 /nfs/dbraw/zinc/65/56/00/427655600.db2.gz UDYKJEIGMFITAZ-UHFFFAOYSA-N 2 1 321.494 2.806 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298598014 427658834 /nfs/dbraw/zinc/65/88/34/427658834.db2.gz YZGMXOJCHKBPAT-UHFFFAOYSA-N 2 1 313.445 2.530 20 0 DFADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000339068042 427659390 /nfs/dbraw/zinc/65/93/90/427659390.db2.gz JLUJRBNEGDCODF-HRCADAONSA-N 2 1 316.493 2.712 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn3cccnc3n2)c1 ZINC000298481289 427625103 /nfs/dbraw/zinc/62/51/03/427625103.db2.gz PKWXNZDFYQQJRC-UHFFFAOYSA-N 2 1 323.444 2.861 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000342628324 272033364 /nfs/dbraw/zinc/03/33/64/272033364.db2.gz FXXIRLKNPVVKQD-SJLPKXTDSA-N 2 1 324.509 2.645 20 0 DFADMP C[N@H+](CC1CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000342641116 272034717 /nfs/dbraw/zinc/03/47/17/272034717.db2.gz XYIBEGURZFWEBU-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](CC1CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000342641116 272034719 /nfs/dbraw/zinc/03/47/19/272034719.db2.gz XYIBEGURZFWEBU-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CC1CCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342641116 272034721 /nfs/dbraw/zinc/03/47/21/272034721.db2.gz XYIBEGURZFWEBU-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CC1CCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000342641116 272034722 /nfs/dbraw/zinc/03/47/22/272034722.db2.gz XYIBEGURZFWEBU-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@@H](CO)[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342639767 272034777 /nfs/dbraw/zinc/03/47/77/272034777.db2.gz ORUSKZSRUIWVOQ-SFHVURJKSA-N 2 1 301.434 2.855 20 0 DFADMP CC[C@@H](CO)[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342639767 272034779 /nfs/dbraw/zinc/03/47/79/272034779.db2.gz ORUSKZSRUIWVOQ-SFHVURJKSA-N 2 1 301.434 2.855 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1cccc(F)c1F ZINC000342748776 272049956 /nfs/dbraw/zinc/04/99/56/272049956.db2.gz IFKDYVBMXKPWRB-HYVNUMGLSA-N 2 1 324.415 2.691 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1cccc(F)c1F ZINC000342748776 272049959 /nfs/dbraw/zinc/04/99/59/272049959.db2.gz IFKDYVBMXKPWRB-HYVNUMGLSA-N 2 1 324.415 2.691 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cc(C)ccc3n2)C[C@H]1C ZINC000342787324 272053794 /nfs/dbraw/zinc/05/37/94/272053794.db2.gz IXTCQRXFZOWYPV-NVXWUHKLSA-N 2 1 300.450 2.947 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000342902705 272065440 /nfs/dbraw/zinc/06/54/40/272065440.db2.gz PFDIXGWKALXHFR-YOEHRIQHSA-N 2 1 305.491 2.597 20 0 DFADMP Cc1c[nH+]ccc1NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000342992404 272073942 /nfs/dbraw/zinc/07/39/42/272073942.db2.gz VLWMEAIFAHRCBH-KBPBESRZSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1c[nH+]ccc1NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000342992404 272073944 /nfs/dbraw/zinc/07/39/44/272073944.db2.gz VLWMEAIFAHRCBH-KBPBESRZSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000343244058 272103566 /nfs/dbraw/zinc/10/35/66/272103566.db2.gz HLGIVANVBQMCTN-OAGGEKHMSA-N 2 1 323.506 2.521 20 0 DFADMP Fc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000343250501 272105557 /nfs/dbraw/zinc/10/55/57/272105557.db2.gz ZAGAVUOHQQNHJU-KZNAEPCWSA-N 2 1 306.425 2.505 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000343320278 272117887 /nfs/dbraw/zinc/11/78/87/272117887.db2.gz LILZYMAMHASJFQ-RBUKOAKNSA-N 2 1 311.429 2.898 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000343320278 272117889 /nfs/dbraw/zinc/11/78/89/272117889.db2.gz LILZYMAMHASJFQ-RBUKOAKNSA-N 2 1 311.429 2.898 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2(OC)CCC2)[C@@H](C)C1 ZINC000339096380 427674004 /nfs/dbraw/zinc/67/40/04/427674004.db2.gz MITGMCBSHXVLRU-DLBZAZTESA-N 2 1 312.498 2.672 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2(OC)CCC2)[C@H](C)C1 ZINC000339096381 427674484 /nfs/dbraw/zinc/67/44/84/427674484.db2.gz MITGMCBSHXVLRU-IAGOWNOFSA-N 2 1 312.498 2.672 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343632384 272188918 /nfs/dbraw/zinc/18/89/18/272188918.db2.gz RYPORHSVIBKIQH-KBPBESRZSA-N 2 1 314.458 2.922 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343632384 272188920 /nfs/dbraw/zinc/18/89/20/272188920.db2.gz RYPORHSVIBKIQH-KBPBESRZSA-N 2 1 314.458 2.922 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCCO1 ZINC000343671002 272198502 /nfs/dbraw/zinc/19/85/02/272198502.db2.gz DRFKKBIXWIOSNF-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP CC[NH+](CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC)C(C)C ZINC000343778257 272217569 /nfs/dbraw/zinc/21/75/69/272217569.db2.gz KWPQWMMAJOULBJ-QGZVFWFLSA-N 2 1 305.466 2.526 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Cl ZINC000295068174 427679462 /nfs/dbraw/zinc/67/94/62/427679462.db2.gz PZUPJMRHHZHWJG-AWEZNQCLSA-N 2 1 324.852 2.900 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1Cl ZINC000295068174 427679472 /nfs/dbraw/zinc/67/94/72/427679472.db2.gz PZUPJMRHHZHWJG-AWEZNQCLSA-N 2 1 324.852 2.900 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000295068174 427679479 /nfs/dbraw/zinc/67/94/79/427679479.db2.gz PZUPJMRHHZHWJG-AWEZNQCLSA-N 2 1 324.852 2.900 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000295068174 427679484 /nfs/dbraw/zinc/67/94/84/427679484.db2.gz PZUPJMRHHZHWJG-AWEZNQCLSA-N 2 1 324.852 2.900 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000343891874 272233180 /nfs/dbraw/zinc/23/31/80/272233180.db2.gz YNVAXEJLJJZFGI-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000343891874 272233182 /nfs/dbraw/zinc/23/31/82/272233182.db2.gz YNVAXEJLJJZFGI-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891617 272233273 /nfs/dbraw/zinc/23/32/73/272233273.db2.gz YVSKKWSJOIWMFQ-JTDSTZFVSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891617 272233274 /nfs/dbraw/zinc/23/32/74/272233274.db2.gz YVSKKWSJOIWMFQ-JTDSTZFVSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343921974 272238217 /nfs/dbraw/zinc/23/82/17/272238217.db2.gz JQDOKTPKIWYFHI-GJYPPUQNSA-N 2 1 319.468 2.845 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000343944304 272241680 /nfs/dbraw/zinc/24/16/80/272241680.db2.gz VYHNHTRAXMCMSV-YESZJQIVSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000343944304 272241681 /nfs/dbraw/zinc/24/16/81/272241681.db2.gz VYHNHTRAXMCMSV-YESZJQIVSA-N 2 1 312.498 2.671 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)cc1F)CC[NH+](C)C ZINC000344026381 272250186 /nfs/dbraw/zinc/25/01/86/272250186.db2.gz JLFNSBKQNRDMFO-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000193282082 427681341 /nfs/dbraw/zinc/68/13/41/427681341.db2.gz IISFLDCSOAELBR-YQQQUEKLSA-N 2 1 314.473 2.934 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1OC ZINC000344172887 272279999 /nfs/dbraw/zinc/27/99/99/272279999.db2.gz PBQHFOFETPJEQU-SJORKVTESA-N 2 1 324.509 2.815 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[N@H+]1C ZINC000344633269 272350310 /nfs/dbraw/zinc/35/03/10/272350310.db2.gz RHTLTDGXRAETLC-JSGCOSHPSA-N 2 1 302.397 2.788 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cnc21 ZINC000344637970 272350343 /nfs/dbraw/zinc/35/03/43/272350343.db2.gz XAQBSRAPSVJUMW-BBRMVZONSA-N 2 1 301.438 2.585 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cnc21 ZINC000344637970 272350345 /nfs/dbraw/zinc/35/03/45/272350345.db2.gz XAQBSRAPSVJUMW-BBRMVZONSA-N 2 1 301.438 2.585 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000344698835 272357610 /nfs/dbraw/zinc/35/76/10/272357610.db2.gz YXSBSZCPMXBJAC-SOLBZPMBSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000344698835 272357612 /nfs/dbraw/zinc/35/76/12/272357612.db2.gz YXSBSZCPMXBJAC-SOLBZPMBSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000344775289 272367012 /nfs/dbraw/zinc/36/70/12/272367012.db2.gz WAQLHRYMFHYBRR-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000344775289 272367015 /nfs/dbraw/zinc/36/70/15/272367015.db2.gz WAQLHRYMFHYBRR-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000344775289 272367016 /nfs/dbraw/zinc/36/70/16/272367016.db2.gz WAQLHRYMFHYBRR-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000344777998 272367217 /nfs/dbraw/zinc/36/72/17/272367217.db2.gz VLHJNFKLZIVBCK-CZUORRHYSA-N 2 1 323.506 2.837 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1[C@H]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000153 272392436 /nfs/dbraw/zinc/39/24/36/272392436.db2.gz IVHOMMKBHUBHSP-RZFLPCETSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000153 272392439 /nfs/dbraw/zinc/39/24/39/272392439.db2.gz IVHOMMKBHUBHSP-RZFLPCETSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000153 272392442 /nfs/dbraw/zinc/39/24/42/272392442.db2.gz IVHOMMKBHUBHSP-RZFLPCETSA-N 2 1 321.509 2.723 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000287759586 427686019 /nfs/dbraw/zinc/68/60/19/427686019.db2.gz ZRUQDNBOLIUETI-ROUUACIJSA-N 2 1 318.461 2.818 20 0 DFADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679245 427689191 /nfs/dbraw/zinc/68/91/91/427689191.db2.gz JPFAKMCJGGNELT-HOTGVXAUSA-N 2 1 315.461 2.868 20 0 DFADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679245 427689197 /nfs/dbraw/zinc/68/91/97/427689197.db2.gz JPFAKMCJGGNELT-HOTGVXAUSA-N 2 1 315.461 2.868 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743868 427699168 /nfs/dbraw/zinc/69/91/68/427699168.db2.gz RULDFLQLFMDPOL-IMFGXOCKSA-N 2 1 316.489 2.833 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287836260 427701267 /nfs/dbraw/zinc/70/12/67/427701267.db2.gz QIMXIGJLXKXFRQ-KRWDZBQOSA-N 2 1 321.852 2.770 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000287836260 427701270 /nfs/dbraw/zinc/70/12/70/427701270.db2.gz QIMXIGJLXKXFRQ-KRWDZBQOSA-N 2 1 321.852 2.770 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]2C1 ZINC000193626624 427701793 /nfs/dbraw/zinc/70/17/93/427701793.db2.gz FBRQAWGVLYRJBK-CALCHBBNSA-N 2 1 323.440 2.662 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)[nH+]1 ZINC000272329054 427711191 /nfs/dbraw/zinc/71/11/91/427711191.db2.gz MFFKKBBPNDIXDL-GOSISDBHSA-N 2 1 311.429 2.816 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)[nH+]1 ZINC000272329054 427711198 /nfs/dbraw/zinc/71/11/98/427711198.db2.gz MFFKKBBPNDIXDL-GOSISDBHSA-N 2 1 311.429 2.816 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000339339233 427756876 /nfs/dbraw/zinc/75/68/76/427756876.db2.gz DZLWNOULQWAEIB-DOTOQJQBSA-N 2 1 308.466 2.740 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@H]3CCCC[N@@H+]3C[C@@H]2C)c1C ZINC000336857951 427762845 /nfs/dbraw/zinc/76/28/45/427762845.db2.gz WEYWERKWBOKLRT-GOEBONIOSA-N 2 1 303.450 2.766 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@H]3CCCC[N@H+]3C[C@@H]2C)c1C ZINC000336857951 427762848 /nfs/dbraw/zinc/76/28/48/427762848.db2.gz WEYWERKWBOKLRT-GOEBONIOSA-N 2 1 303.450 2.766 20 0 DFADMP C[C@@]1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCOC1 ZINC000336862042 427765129 /nfs/dbraw/zinc/76/51/29/427765129.db2.gz GVAPPFCAYSNWOQ-LJQANCHMSA-N 2 1 302.462 2.852 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000336865741 427766663 /nfs/dbraw/zinc/76/66/63/427766663.db2.gz LGOQDKKHZLAFAE-ZPHDHXEYSA-N 2 1 306.494 2.636 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000336865741 427766666 /nfs/dbraw/zinc/76/66/66/427766666.db2.gz LGOQDKKHZLAFAE-ZPHDHXEYSA-N 2 1 306.494 2.636 20 0 DFADMP CC[C@@H](C)C[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000339407386 427769196 /nfs/dbraw/zinc/76/91/96/427769196.db2.gz KFJBOIZYBYKFOF-HZPDHXFCSA-N 2 1 304.482 2.893 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)cc1 ZINC000339487478 427782869 /nfs/dbraw/zinc/78/28/69/427782869.db2.gz HIRKHMITDTYORB-LJQANCHMSA-N 2 1 314.473 2.915 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCOC1 ZINC000336656063 427746459 /nfs/dbraw/zinc/74/64/59/427746459.db2.gz KQHWMTLLADATQW-ABHMUUKNSA-N 2 1 314.473 2.912 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694067 427747601 /nfs/dbraw/zinc/74/76/01/427747601.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@@H+]1CC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000336694067 427747604 /nfs/dbraw/zinc/74/76/04/427747604.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000336694067 427747610 /nfs/dbraw/zinc/74/76/10/427747610.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000336694067 427747613 /nfs/dbraw/zinc/74/76/13/427747613.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336694067 427747619 /nfs/dbraw/zinc/74/76/19/427747619.db2.gz YNDVWOWOSZUSLX-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)[C@H]3CCC[C@H]32)CC1 ZINC000339714166 427816759 /nfs/dbraw/zinc/81/67/59/427816759.db2.gz AYBRYUPFWRXOCX-ZWKOTPCHSA-N 2 1 307.526 2.913 20 0 DFADMP C[N@H+](CCC[NH+]1CCCC1)CCOCC(F)(F)C(F)(F)F ZINC000337222268 427817626 /nfs/dbraw/zinc/81/76/26/427817626.db2.gz FMHOAFOUWVJQBQ-UHFFFAOYSA-N 2 1 318.330 2.618 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)CCOCC(F)(F)C(F)(F)F ZINC000337222268 427817627 /nfs/dbraw/zinc/81/76/27/427817627.db2.gz FMHOAFOUWVJQBQ-UHFFFAOYSA-N 2 1 318.330 2.618 20 0 DFADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000359455173 427858476 /nfs/dbraw/zinc/85/84/76/427858476.db2.gz CNQUTETZUPACCY-UHFFFAOYSA-N 2 1 321.428 2.823 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+](CC)C(C)C)c1ccccc1 ZINC000355648421 427836027 /nfs/dbraw/zinc/83/60/27/427836027.db2.gz CXVMTXNSWAFEIW-GOSISDBHSA-N 2 1 319.493 2.916 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1c[nH]nc1-c1cccnc1)Cc1ccccc1 ZINC000359455173 427858481 /nfs/dbraw/zinc/85/84/81/427858481.db2.gz CNQUTETZUPACCY-UHFFFAOYSA-N 2 1 321.428 2.823 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H](c2ccccc2)C2CC2)CC1 ZINC000340406446 427841418 /nfs/dbraw/zinc/84/14/18/427841418.db2.gz PEKUAJJTVSMVPC-IBGZPJMESA-N 2 1 302.462 2.881 20 0 DFADMP CC(C)OC[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337325027 427846909 /nfs/dbraw/zinc/84/69/09/427846909.db2.gz BQRCQGFCGWACOQ-HKUYNNGSSA-N 2 1 304.478 2.954 20 0 DFADMP CC[C@@H]1CN(c2nc(C)cc3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000302041568 427848642 /nfs/dbraw/zinc/84/86/42/427848642.db2.gz LPPFXVVWGHZTOD-DOTOQJQBSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340471092 427857098 /nfs/dbraw/zinc/85/70/98/427857098.db2.gz BQSJXMUZVRWATH-JKSUJKDBSA-N 2 1 307.486 2.503 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000340500308 427865440 /nfs/dbraw/zinc/86/54/40/427865440.db2.gz RIAMAXVVJPZEGB-XLAORIBOSA-N 2 1 321.509 2.725 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(C)C ZINC000340515003 427870523 /nfs/dbraw/zinc/87/05/23/427870523.db2.gz LIKZRRGGANXQKJ-DLBZAZTESA-N 2 1 311.514 2.543 20 0 DFADMP COc1ccccc1OCCN1CCC2(CCC[N@H+]2C)CC1 ZINC000359517870 427884951 /nfs/dbraw/zinc/88/49/51/427884951.db2.gz XZBHPMCUVHJNGV-UHFFFAOYSA-N 2 1 304.434 2.634 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCC12CCC2 ZINC000337404365 427889875 /nfs/dbraw/zinc/88/98/75/427889875.db2.gz RMKGIDODHWJQIA-GOSISDBHSA-N 2 1 300.446 2.941 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337410421 427890958 /nfs/dbraw/zinc/89/09/58/427890958.db2.gz VPVRMUODAHPYOT-OAHLLOKOSA-N 2 1 308.470 2.617 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C2CCCC2)c1 ZINC000337410421 427890963 /nfs/dbraw/zinc/89/09/63/427890963.db2.gz VPVRMUODAHPYOT-OAHLLOKOSA-N 2 1 308.470 2.617 20 0 DFADMP C[C@H](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000345758230 427892937 /nfs/dbraw/zinc/89/29/37/427892937.db2.gz XLWQXRYOEXMOHY-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[C@H](C)[N@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337413373 427893597 /nfs/dbraw/zinc/89/35/97/427893597.db2.gz MNYHAYVYCOEHOS-RRFJBIMHSA-N 2 1 323.460 2.580 20 0 DFADMP CCC[C@H](C)[N@@H+](C)C[C@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337413373 427893599 /nfs/dbraw/zinc/89/35/99/427893599.db2.gz MNYHAYVYCOEHOS-RRFJBIMHSA-N 2 1 323.460 2.580 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1Cl)N(C)C ZINC000359551201 427904094 /nfs/dbraw/zinc/90/40/94/427904094.db2.gz JRDUARLANNMISX-COXVUDFISA-N 2 1 309.885 2.873 20 0 DFADMP COC(=O)c1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000303985664 427909473 /nfs/dbraw/zinc/90/94/73/427909473.db2.gz IIGOKIFJXNQKKS-UHFFFAOYSA-N 2 1 312.413 2.824 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000303985664 427909478 /nfs/dbraw/zinc/90/94/78/427909478.db2.gz IIGOKIFJXNQKKS-UHFFFAOYSA-N 2 1 312.413 2.824 20 0 DFADMP [NH3+]CCC[N@H+](Cc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000303986222 427910338 /nfs/dbraw/zinc/91/03/38/427910338.db2.gz IXOZEFNUHDNUQF-UHFFFAOYSA-N 2 1 312.413 2.809 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)OCCO2 ZINC000303986222 427910340 /nfs/dbraw/zinc/91/03/40/427910340.db2.gz IXOZEFNUHDNUQF-UHFFFAOYSA-N 2 1 312.413 2.809 20 0 DFADMP CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000345808982 427916507 /nfs/dbraw/zinc/91/65/07/427916507.db2.gz SYLCJXNFENRSID-JKSUJKDBSA-N 2 1 311.514 2.734 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(N)=[NH2+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265040 427922528 /nfs/dbraw/zinc/92/25/28/427922528.db2.gz VBCAVCDSFPUEQS-AAEUAGOBSA-N 2 1 314.355 2.571 20 0 DFADMP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346850584 272693993 /nfs/dbraw/zinc/69/39/93/272693993.db2.gz UQBSFXKWENTTFF-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346850584 272693994 /nfs/dbraw/zinc/69/39/94/272693994.db2.gz UQBSFXKWENTTFF-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cc2c(c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c1)O[C@H](C)C2 ZINC000346848950 272694113 /nfs/dbraw/zinc/69/41/13/272694113.db2.gz FTICCJXVLFVAMK-OBQMCUGOSA-N 2 1 316.445 2.578 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340228537 427960186 /nfs/dbraw/zinc/96/01/86/427960186.db2.gz JZEXVYXVZUZQJU-RBUKOAKNSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340228537 427960189 /nfs/dbraw/zinc/96/01/89/427960189.db2.gz JZEXVYXVZUZQJU-RBUKOAKNSA-N 3 1 301.478 2.753 20 0 DFADMP CC[C@@H](C(=O)N(CC)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000355950587 427961199 /nfs/dbraw/zinc/96/11/99/427961199.db2.gz DQABWDQFLZKDRL-SFHVURJKSA-N 2 1 319.493 2.697 20 0 DFADMP CC[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000359660994 427961363 /nfs/dbraw/zinc/96/13/63/427961363.db2.gz DXIXTGYZANKKGE-FFZOFVMBSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](CN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000359660994 427961368 /nfs/dbraw/zinc/96/13/68/427961368.db2.gz DXIXTGYZANKKGE-FFZOFVMBSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](CN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000359660994 427961375 /nfs/dbraw/zinc/96/13/75/427961375.db2.gz DXIXTGYZANKKGE-FFZOFVMBSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000359660994 427961377 /nfs/dbraw/zinc/96/13/77/427961377.db2.gz DXIXTGYZANKKGE-FFZOFVMBSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000359660994 427961382 /nfs/dbraw/zinc/96/13/82/427961382.db2.gz DXIXTGYZANKKGE-FFZOFVMBSA-N 2 1 315.505 2.896 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000340235866 427963706 /nfs/dbraw/zinc/96/37/06/427963706.db2.gz LBCYCROSTPGKMX-HNNXBMFYSA-N 2 1 323.481 2.907 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000359662555 427963967 /nfs/dbraw/zinc/96/39/67/427963967.db2.gz RMBKJPPBADGNDT-UHOSZYNNSA-N 2 1 301.478 2.753 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000340259692 427968015 /nfs/dbraw/zinc/96/80/15/427968015.db2.gz KRWUSZIYMCVQSN-FHWLQOOXSA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000340259692 427968019 /nfs/dbraw/zinc/96/80/19/427968019.db2.gz KRWUSZIYMCVQSN-FHWLQOOXSA-N 2 1 318.461 2.607 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](N3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC000340280765 427975435 /nfs/dbraw/zinc/97/54/35/427975435.db2.gz ANMPCJRFWAGXPO-HXUWFJFHSA-N 2 1 313.489 2.821 20 0 DFADMP C[C@@H]1[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCCN1Cc1ccccc1 ZINC000340314545 427983869 /nfs/dbraw/zinc/98/38/69/427983869.db2.gz DVJCMEYLKCNNAL-YLJYHZDGSA-N 2 1 313.489 2.891 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)[C@H]1Oc1ccccc1 ZINC000359716197 427984773 /nfs/dbraw/zinc/98/47/73/427984773.db2.gz MLKALXCMCJVTCK-GUDVDZBRSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@@H+](C)C[C@@H]3C)c2cc1OC ZINC000413221356 427996399 /nfs/dbraw/zinc/99/63/99/427996399.db2.gz SZLKNLSHTPLFOI-OLZOCXBDSA-N 2 1 315.417 2.781 20 0 DFADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340335206 427989598 /nfs/dbraw/zinc/98/95/98/427989598.db2.gz VGWJCPMOUZSAAO-IAGOWNOFSA-N 2 1 317.477 2.574 20 0 DFADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340335206 427989601 /nfs/dbraw/zinc/98/96/01/427989601.db2.gz VGWJCPMOUZSAAO-IAGOWNOFSA-N 2 1 317.477 2.574 20 0 DFADMP C[C@@H](CCCC(F)(F)F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000359631699 427945717 /nfs/dbraw/zinc/94/57/17/427945717.db2.gz AYQIOUPEJZEMMB-AWEZNQCLSA-N 2 1 323.447 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340188864 427950105 /nfs/dbraw/zinc/95/01/05/427950105.db2.gz QNRKMVFADNEHJW-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340188864 427950110 /nfs/dbraw/zinc/95/01/10/427950110.db2.gz QNRKMVFADNEHJW-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340188864 427950115 /nfs/dbraw/zinc/95/01/15/427950115.db2.gz QNRKMVFADNEHJW-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000340188864 427950120 /nfs/dbraw/zinc/95/01/20/427950120.db2.gz QNRKMVFADNEHJW-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000340188864 427950125 /nfs/dbraw/zinc/95/01/25/427950125.db2.gz QNRKMVFADNEHJW-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000340919360 427953762 /nfs/dbraw/zinc/95/37/62/427953762.db2.gz YFAWJYLKQZRYMD-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000340919360 427953766 /nfs/dbraw/zinc/95/37/66/427953766.db2.gz YFAWJYLKQZRYMD-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000340919360 427953771 /nfs/dbraw/zinc/95/37/71/427953771.db2.gz YFAWJYLKQZRYMD-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]([NH2+]CCSCCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376938855 428028985 /nfs/dbraw/zinc/02/89/85/428028985.db2.gz FNCUOCNJOJPHRZ-WMZOPIPTSA-N 2 1 322.518 2.602 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCS1 ZINC000346158825 428042784 /nfs/dbraw/zinc/04/27/84/428042784.db2.gz ANMBDAJGIYFWLX-MRXNPFEDSA-N 2 1 302.447 2.903 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000359850525 428046111 /nfs/dbraw/zinc/04/61/11/428046111.db2.gz AUHNPRRQXGMPGH-VQIMIIECSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000359850525 428046116 /nfs/dbraw/zinc/04/61/16/428046116.db2.gz AUHNPRRQXGMPGH-VQIMIIECSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000359850525 428046121 /nfs/dbraw/zinc/04/61/21/428046121.db2.gz AUHNPRRQXGMPGH-VQIMIIECSA-N 2 1 319.468 2.816 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000356178939 428055144 /nfs/dbraw/zinc/05/51/44/428055144.db2.gz SUJNJKNMFLYUHA-UHFFFAOYSA-N 2 1 319.493 2.696 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000356178939 428055148 /nfs/dbraw/zinc/05/51/48/428055148.db2.gz SUJNJKNMFLYUHA-UHFFFAOYSA-N 2 1 319.493 2.696 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1nccs1 ZINC000346186521 428058577 /nfs/dbraw/zinc/05/85/77/428058577.db2.gz ZGNUWWAPGNXOIW-UHFFFAOYSA-N 2 1 313.430 2.707 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212304 428072261 /nfs/dbraw/zinc/07/22/61/428072261.db2.gz QCZGTFSNRFCPKG-HUUCEWRRSA-N 2 1 304.438 2.611 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212304 428072269 /nfs/dbraw/zinc/07/22/69/428072269.db2.gz QCZGTFSNRFCPKG-HUUCEWRRSA-N 2 1 304.438 2.611 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212304 428072271 /nfs/dbraw/zinc/07/22/71/428072271.db2.gz QCZGTFSNRFCPKG-HUUCEWRRSA-N 2 1 304.438 2.611 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212304 428072278 /nfs/dbraw/zinc/07/22/78/428072278.db2.gz QCZGTFSNRFCPKG-HUUCEWRRSA-N 2 1 304.438 2.611 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3nccn3C)c2)[C@@H](C)C1 ZINC000369840308 428073986 /nfs/dbraw/zinc/07/39/86/428073986.db2.gz KWNRETHZIYWRBT-MAUKXSAKSA-N 2 1 312.461 2.907 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000369834748 428074033 /nfs/dbraw/zinc/07/40/33/428074033.db2.gz LGFYCBJEVNMUTR-CKUJCDMFSA-N 2 1 318.465 2.875 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000359934926 428083341 /nfs/dbraw/zinc/08/33/41/428083341.db2.gz OCHMVBCUWFEMBN-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+]2CCCC[C@@H]12 ZINC000359934926 428083348 /nfs/dbraw/zinc/08/33/48/428083348.db2.gz OCHMVBCUWFEMBN-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359934926 428083353 /nfs/dbraw/zinc/08/33/53/428083353.db2.gz OCHMVBCUWFEMBN-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359934926 428083360 /nfs/dbraw/zinc/08/33/60/428083360.db2.gz OCHMVBCUWFEMBN-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP C1C[N@H+]2CCCC[C@@H]2[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000359940924 428085334 /nfs/dbraw/zinc/08/53/34/428085334.db2.gz IZOZHGRKQZQVEM-RTBURBONSA-N 2 1 305.510 3.000 20 0 DFADMP C1C[N@H+]2CCCC[C@H]2[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000359940920 428086276 /nfs/dbraw/zinc/08/62/76/428086276.db2.gz IZOZHGRKQZQVEM-OALUTQOASA-N 2 1 305.510 3.000 20 0 DFADMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cnn1C ZINC000377338414 428108752 /nfs/dbraw/zinc/10/87/52/428108752.db2.gz XKNZMTRHQVLVOH-AZUAARDMSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cnn1C ZINC000377338414 428108756 /nfs/dbraw/zinc/10/87/56/428108756.db2.gz XKNZMTRHQVLVOH-AZUAARDMSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cnn1C ZINC000377338414 428108762 /nfs/dbraw/zinc/10/87/62/428108762.db2.gz XKNZMTRHQVLVOH-AZUAARDMSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cnn1C ZINC000377338414 428108767 /nfs/dbraw/zinc/10/87/67/428108767.db2.gz XKNZMTRHQVLVOH-AZUAARDMSA-N 2 1 324.472 2.682 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360017278 428116652 /nfs/dbraw/zinc/11/66/52/428116652.db2.gz QJQKMNFRLGTUBG-KRWDZBQOSA-N 2 1 318.461 2.664 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360017278 428116656 /nfs/dbraw/zinc/11/66/56/428116656.db2.gz QJQKMNFRLGTUBG-KRWDZBQOSA-N 2 1 318.461 2.664 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360017278 428116663 /nfs/dbraw/zinc/11/66/63/428116663.db2.gz QJQKMNFRLGTUBG-KRWDZBQOSA-N 2 1 318.461 2.664 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360017278 428116669 /nfs/dbraw/zinc/11/66/69/428116669.db2.gz QJQKMNFRLGTUBG-KRWDZBQOSA-N 2 1 318.461 2.664 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394063 428120101 /nfs/dbraw/zinc/12/01/01/428120101.db2.gz SRVCSUKEHKLKLK-RDJZCZTQSA-N 2 1 319.497 2.788 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000360028122 428124181 /nfs/dbraw/zinc/12/41/81/428124181.db2.gz CMANCMYYJLAMAI-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000360028122 428124182 /nfs/dbraw/zinc/12/41/82/428124182.db2.gz CMANCMYYJLAMAI-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP CSc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000356341721 428134627 /nfs/dbraw/zinc/13/46/27/428134627.db2.gz PVQSFXBVFQOZQT-UHFFFAOYSA-N 2 1 313.536 2.539 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2nccn2C)c1 ZINC000360056851 428135868 /nfs/dbraw/zinc/13/58/68/428135868.db2.gz IZUOOWXHMYKQQJ-VKJFTORMSA-N 2 1 312.461 2.905 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2nccn2C)c1 ZINC000360056849 428136109 /nfs/dbraw/zinc/13/61/09/428136109.db2.gz IZUOOWXHMYKQQJ-RKVPGOIHSA-N 2 1 312.461 2.905 20 0 DFADMP Cc1cccn2c(C[N@@H+](CCC[NH3+])CC3CCCC3)cnc12 ZINC000352534078 428138118 /nfs/dbraw/zinc/13/81/18/428138118.db2.gz CVKFIJAMVFXVSV-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000352546331 428144098 /nfs/dbraw/zinc/14/40/98/428144098.db2.gz TVDBRYMDLBHAHE-GOSISDBHSA-N 2 1 316.424 2.774 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000352546331 428144103 /nfs/dbraw/zinc/14/41/03/428144103.db2.gz TVDBRYMDLBHAHE-GOSISDBHSA-N 2 1 316.424 2.774 20 0 DFADMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000370167565 428150182 /nfs/dbraw/zinc/15/01/82/428150182.db2.gz QZNNQKSOFIBSSC-HIFRSBDPSA-N 2 1 308.857 2.857 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000370164695 428150272 /nfs/dbraw/zinc/15/02/72/428150272.db2.gz XYOCDCFMJRRXLR-WFASDCNBSA-N 2 1 315.446 2.772 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346374800 428147790 /nfs/dbraw/zinc/14/77/90/428147790.db2.gz BMJCPZGBDREXHA-HOCLYGCPSA-N 2 1 303.450 2.725 20 0 DFADMP Cc1cnn(C)c1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377545364 428155903 /nfs/dbraw/zinc/15/59/03/428155903.db2.gz XKWUACCHTNRQDT-GOSISDBHSA-N 2 1 312.461 2.682 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000377630773 428177339 /nfs/dbraw/zinc/17/73/39/428177339.db2.gz SVBUOWSCUXSSFI-INIZCTEOSA-N 2 1 307.507 2.516 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1C[C@H]1C ZINC000414110809 428208712 /nfs/dbraw/zinc/20/87/12/428208712.db2.gz ORJICROOVAIBDW-LTDCPUDJSA-N 2 1 302.462 2.777 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCO[C@H](C)C3)C2)[nH+]1 ZINC000352695195 428209462 /nfs/dbraw/zinc/20/94/62/428209462.db2.gz TZBRBPIBOFZOCM-ZACQAIPSSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCO[C@H](C)C3)C2)[nH+]1 ZINC000352695195 428209467 /nfs/dbraw/zinc/20/94/67/428209467.db2.gz TZBRBPIBOFZOCM-ZACQAIPSSA-N 2 1 303.450 2.939 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414124208 428210703 /nfs/dbraw/zinc/21/07/03/428210703.db2.gz PFNULSHGRKVQOZ-WBVHZDCISA-N 2 1 305.466 2.731 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000356517024 428213424 /nfs/dbraw/zinc/21/34/24/428213424.db2.gz GAPILWASZNHKMN-XUVXKRRUSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000356517024 428213429 /nfs/dbraw/zinc/21/34/29/428213429.db2.gz GAPILWASZNHKMN-XUVXKRRUSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000356517024 428213433 /nfs/dbraw/zinc/21/34/33/428213433.db2.gz GAPILWASZNHKMN-XUVXKRRUSA-N 2 1 314.473 2.867 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCOCC(F)F)C1)CCCC2 ZINC000346546775 428213636 /nfs/dbraw/zinc/21/36/36/428213636.db2.gz ZZMNKIAQOPJNJQ-ZDUSSCGKSA-N 2 1 313.392 2.599 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCOCC(F)F)C1)CCCC2 ZINC000346546775 428213640 /nfs/dbraw/zinc/21/36/40/428213640.db2.gz ZZMNKIAQOPJNJQ-ZDUSSCGKSA-N 2 1 313.392 2.599 20 0 DFADMP C[N@@H+](CCC1CC1)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352706086 428214048 /nfs/dbraw/zinc/21/40/48/428214048.db2.gz ULXKPCOSLASPNQ-UHFFFAOYSA-N 2 1 301.478 2.536 20 0 DFADMP C[C@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000414140135 428218103 /nfs/dbraw/zinc/21/81/03/428218103.db2.gz IUPLBFFCHPWLNZ-QFBILLFUSA-N 2 1 316.489 2.990 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C)n2)[C@H](C)C1 ZINC000414161876 428221201 /nfs/dbraw/zinc/22/12/01/428221201.db2.gz GGFAXBUBXQPVEA-APWZRJJASA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C)n2)[C@H](C)C1 ZINC000414161876 428221208 /nfs/dbraw/zinc/22/12/08/428221208.db2.gz GGFAXBUBXQPVEA-APWZRJJASA-N 2 1 319.493 2.925 20 0 DFADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000377764860 428221359 /nfs/dbraw/zinc/22/13/59/428221359.db2.gz ZKTXPZHILCVTBK-OKZBNKHCSA-N 2 1 310.445 2.718 20 0 DFADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000377764860 428221365 /nfs/dbraw/zinc/22/13/65/428221365.db2.gz ZKTXPZHILCVTBK-OKZBNKHCSA-N 2 1 310.445 2.718 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000377763274 428223431 /nfs/dbraw/zinc/22/34/31/428223431.db2.gz VMEPTZNSTAILQH-ZWKOTPCHSA-N 2 1 323.525 2.591 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000414172743 428225503 /nfs/dbraw/zinc/22/55/03/428225503.db2.gz FGCFVWINFCKNPW-ZACQAIPSSA-N 2 1 304.482 2.768 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[NH+](C3CCCCCC3)C2)CC[N@H+]1C ZINC000377799347 428230335 /nfs/dbraw/zinc/23/03/35/428230335.db2.gz TWMRXZWIKUUCOI-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@@H+](C3CCCCCC3)C2)CC[NH+]1C ZINC000377799347 428230341 /nfs/dbraw/zinc/23/03/41/428230341.db2.gz TWMRXZWIKUUCOI-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[N@H+](C3CCCCCC3)C2)CC[NH+]1C ZINC000377799347 428230347 /nfs/dbraw/zinc/23/03/47/428230347.db2.gz TWMRXZWIKUUCOI-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCC(NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000346610294 428237428 /nfs/dbraw/zinc/23/74/28/428237428.db2.gz ZMFLKRFUQWCVOA-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C)C2)[C@@H](C)C1 ZINC000414230407 428237925 /nfs/dbraw/zinc/23/79/25/428237925.db2.gz NXAYREFTAUVLKZ-VGWMRTNUSA-N 2 1 300.512 2.607 20 0 DFADMP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(OC)c1 ZINC000360169742 428188972 /nfs/dbraw/zinc/18/89/72/428188972.db2.gz UNADFJIKKLGBQO-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414075178 428197887 /nfs/dbraw/zinc/19/78/87/428197887.db2.gz XKUNWCLJLAFYAC-HOTGVXAUSA-N 2 1 305.466 2.875 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000377698976 428198455 /nfs/dbraw/zinc/19/84/55/428198455.db2.gz NEQBHLVQPPFCKF-CHWSQXEVSA-N 2 1 303.381 2.944 20 0 DFADMP CC1(C)C[NH+](C/C=C/C[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000377693083 428199038 /nfs/dbraw/zinc/19/90/38/428199038.db2.gz CFDHABDJBUSEFV-AATRIKPKSA-N 2 1 310.482 2.544 20 0 DFADMP C[N@@H+](Cc1nnc(-c2ccccc2)o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370405640 428202521 /nfs/dbraw/zinc/20/25/21/428202521.db2.gz LBOJROAIPPFFLS-AWEZNQCLSA-N 2 1 323.400 2.628 20 0 DFADMP C[N@H+](Cc1nnc(-c2ccccc2)o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370405640 428202524 /nfs/dbraw/zinc/20/25/24/428202524.db2.gz LBOJROAIPPFFLS-AWEZNQCLSA-N 2 1 323.400 2.628 20 0 DFADMP C[N@H+](C[C@H](O)c1ccccc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370407759 428203515 /nfs/dbraw/zinc/20/35/15/428203515.db2.gz RVVVKBWYGKPMKB-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccccc1Cl)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370407759 428203516 /nfs/dbraw/zinc/20/35/16/428203516.db2.gz RVVVKBWYGKPMKB-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP C[C@H](CCC1CC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000346522508 428204198 /nfs/dbraw/zinc/20/41/98/428204198.db2.gz KHUJWGJMCLPGIJ-APWZRJJASA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](CCC1CC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000346522508 428204207 /nfs/dbraw/zinc/20/42/07/428204207.db2.gz KHUJWGJMCLPGIJ-APWZRJJASA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1F ZINC000352825533 428265374 /nfs/dbraw/zinc/26/53/74/428265374.db2.gz RTTNUSQVPXOWQS-UHFFFAOYSA-N 2 1 323.437 2.685 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000360440391 428298463 /nfs/dbraw/zinc/29/84/63/428298463.db2.gz BEIFIAOQHFEYFQ-IEBWSBKVSA-N 2 1 304.478 2.956 20 0 DFADMP CC[N@H+]1CCc2c(cccc2NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000370686083 428272417 /nfs/dbraw/zinc/27/24/17/428272417.db2.gz NUFAWOHYHSSJJB-QGZVFWFLSA-N 2 1 303.450 2.589 20 0 DFADMP COc1cc(C[N@H+](C)CC(C)(C)C[NH3+])c(SC)cc1OC ZINC000346690258 428274056 /nfs/dbraw/zinc/27/40/56/428274056.db2.gz TVTZZISHRZKDEC-UHFFFAOYSA-N 2 1 312.479 2.842 20 0 DFADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])c(SC)cc1OC ZINC000346690258 428274058 /nfs/dbraw/zinc/27/40/58/428274058.db2.gz TVTZZISHRZKDEC-UHFFFAOYSA-N 2 1 312.479 2.842 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000370695411 428275396 /nfs/dbraw/zinc/27/53/96/428275396.db2.gz AFFIDKZXOIEKPC-QUCCMNQESA-N 2 1 315.505 2.761 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346695346 428275546 /nfs/dbraw/zinc/27/55/46/428275546.db2.gz ZXLCOPYJVZWHNS-CMPLNLGQSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346695346 428275549 /nfs/dbraw/zinc/27/55/49/428275549.db2.gz ZXLCOPYJVZWHNS-CMPLNLGQSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346695348 428275641 /nfs/dbraw/zinc/27/56/41/428275641.db2.gz ZXLCOPYJVZWHNS-PWSUYJOCSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346695348 428275647 /nfs/dbraw/zinc/27/56/47/428275647.db2.gz ZXLCOPYJVZWHNS-PWSUYJOCSA-N 2 1 320.330 2.936 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)cc1OCC(C)C ZINC000346693594 428277010 /nfs/dbraw/zinc/27/70/10/428277010.db2.gz OEMUNAWQAVXPOA-GOEBONIOSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346693215 428277092 /nfs/dbraw/zinc/27/70/92/428277092.db2.gz LNCOTCCAZSOYLW-AAEUAGOBSA-N 2 1 304.825 2.899 20 0 DFADMP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000370707026 428277634 /nfs/dbraw/zinc/27/76/34/428277634.db2.gz NOCYSFVQCWNMTC-XLIONFOSSA-N 2 1 315.505 2.761 20 0 DFADMP Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000414388388 428281210 /nfs/dbraw/zinc/28/12/10/428281210.db2.gz LSQLQWLILONRDZ-SFHVURJKSA-N 2 1 310.445 2.739 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000356740894 428290290 /nfs/dbraw/zinc/29/02/90/428290290.db2.gz LEBAEJVFEXCJNU-SJLPKXTDSA-N 2 1 319.493 2.742 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000356740894 428290294 /nfs/dbraw/zinc/29/02/94/428290294.db2.gz LEBAEJVFEXCJNU-SJLPKXTDSA-N 2 1 319.493 2.742 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000356740894 428290300 /nfs/dbraw/zinc/29/03/00/428290300.db2.gz LEBAEJVFEXCJNU-SJLPKXTDSA-N 2 1 319.493 2.742 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@H]21 ZINC000342076569 428292578 /nfs/dbraw/zinc/29/25/78/428292578.db2.gz AKEJWFZNOVEKIK-IPMKNSEASA-N 2 1 302.462 2.695 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000360426993 428294020 /nfs/dbraw/zinc/29/40/20/428294020.db2.gz IHKCTGCBJPZTTB-HNAYVOBHSA-N 2 1 319.468 2.720 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000360426993 428294023 /nfs/dbraw/zinc/29/40/23/428294023.db2.gz IHKCTGCBJPZTTB-HNAYVOBHSA-N 2 1 319.468 2.720 20 0 DFADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377861936 428248597 /nfs/dbraw/zinc/24/85/97/428248597.db2.gz USDZJNVHYSKZKY-ZDUSSCGKSA-N 2 1 311.389 2.561 20 0 DFADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377861936 428248604 /nfs/dbraw/zinc/24/86/04/428248604.db2.gz USDZJNVHYSKZKY-ZDUSSCGKSA-N 2 1 311.389 2.561 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000356607746 428252529 /nfs/dbraw/zinc/25/25/29/428252529.db2.gz YEJXJUWBDXVYJM-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000356622723 428258465 /nfs/dbraw/zinc/25/84/65/428258465.db2.gz CLCGUDNHYNXJRV-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000356622723 428258470 /nfs/dbraw/zinc/25/84/70/428258470.db2.gz CLCGUDNHYNXJRV-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP CC[C@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC[NH2+]C1 ZINC000370843095 428306090 /nfs/dbraw/zinc/30/60/90/428306090.db2.gz MDFXOTPRGBZZGA-IBGZPJMESA-N 2 1 317.477 2.533 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC000342117620 428307771 /nfs/dbraw/zinc/30/77/71/428307771.db2.gz ZAFKWNSGHFMWHR-KCPJHIHWSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC000342117620 428307777 /nfs/dbraw/zinc/30/77/77/428307777.db2.gz ZAFKWNSGHFMWHR-KCPJHIHWSA-N 2 1 303.431 2.962 20 0 DFADMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000360572432 428355399 /nfs/dbraw/zinc/35/53/99/428355399.db2.gz KHHSRUXFIYYZIC-DLBZAZTESA-N 2 1 316.449 2.609 20 0 DFADMP Cc1csc(N2CCCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000378125367 428314928 /nfs/dbraw/zinc/31/49/28/428314928.db2.gz IBZMAVBEYFEBFZ-INIZCTEOSA-N 2 1 322.522 2.838 20 0 DFADMP Cc1csc(N2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2)n1 ZINC000378125367 428314959 /nfs/dbraw/zinc/31/49/59/428314959.db2.gz IBZMAVBEYFEBFZ-INIZCTEOSA-N 2 1 322.522 2.838 20 0 DFADMP Cc1csc(N2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)CC2)n1 ZINC000378125367 428314965 /nfs/dbraw/zinc/31/49/65/428314965.db2.gz IBZMAVBEYFEBFZ-INIZCTEOSA-N 2 1 322.522 2.838 20 0 DFADMP CN1CC[C@@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@@H]2C1 ZINC000352928160 428317805 /nfs/dbraw/zinc/31/78/05/428317805.db2.gz CBUGUSHTVZBMOT-NVXWUHKLSA-N 2 1 300.446 2.926 20 0 DFADMP CN1CC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@@H]2C1 ZINC000352928160 428317808 /nfs/dbraw/zinc/31/78/08/428317808.db2.gz CBUGUSHTVZBMOT-NVXWUHKLSA-N 2 1 300.446 2.926 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352972782 428331689 /nfs/dbraw/zinc/33/16/89/428331689.db2.gz YMWMHKZCAFYWJD-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352972782 428331694 /nfs/dbraw/zinc/33/16/94/428331694.db2.gz YMWMHKZCAFYWJD-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352972782 428331703 /nfs/dbraw/zinc/33/17/03/428331703.db2.gz YMWMHKZCAFYWJD-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352972782 428331708 /nfs/dbraw/zinc/33/17/08/428331708.db2.gz YMWMHKZCAFYWJD-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@](O)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000356838362 428333053 /nfs/dbraw/zinc/33/30/53/428333053.db2.gz ILTDXSOJMQTPKJ-FFGOWVMKSA-N 2 1 314.473 2.648 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356842554 428333617 /nfs/dbraw/zinc/33/36/17/428333617.db2.gz KUFOUFTUJZEEQU-AWEZNQCLSA-N 2 1 321.431 2.725 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1OC ZINC000346837220 428338981 /nfs/dbraw/zinc/33/89/81/428338981.db2.gz PQJGXBAXEIFCFS-GOEBONIOSA-N 2 1 304.434 2.840 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@H]3CCCOC3)CC2)[nH+]1 ZINC000356857309 428340272 /nfs/dbraw/zinc/34/02/72/428340272.db2.gz WXHCALJELITIEJ-HOTGVXAUSA-N 2 1 303.450 2.764 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]12 ZINC000346843138 428341185 /nfs/dbraw/zinc/34/11/85/428341185.db2.gz XFQQMZIWVWNRDO-APHBMKBZSA-N 2 1 316.836 2.899 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@H]12 ZINC000346843148 428341581 /nfs/dbraw/zinc/34/15/81/428341581.db2.gz XFQQMZIWVWNRDO-UHOFOFEASA-N 2 1 316.836 2.899 20 0 DFADMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1OC(C)C ZINC000346843587 428341843 /nfs/dbraw/zinc/34/18/43/428341843.db2.gz KICIBFWGHBJKFG-BPUTZDHNSA-N 2 1 304.434 2.652 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C[C@H]21 ZINC000346846265 428344263 /nfs/dbraw/zinc/34/42/63/428344263.db2.gz NTSFERSVQWBSAR-SRCQZFHVSA-N 2 1 314.408 2.775 20 0 DFADMP CCCN(CC[NH+]1CCCC1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000342195937 428344257 /nfs/dbraw/zinc/34/42/57/428344257.db2.gz QQWVIFMYGQBFEY-UHFFFAOYSA-N 2 1 320.481 2.731 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346852276 428345095 /nfs/dbraw/zinc/34/50/95/428345095.db2.gz KNARLSOVASGQML-GZBFAFLISA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346852276 428345101 /nfs/dbraw/zinc/34/51/01/428345101.db2.gz KNARLSOVASGQML-GZBFAFLISA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346851090 428345509 /nfs/dbraw/zinc/34/55/09/428345509.db2.gz QEGJQCABTNCIPE-JYJNAYRXSA-N 2 1 304.434 2.653 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]12 ZINC000346854226 428347791 /nfs/dbraw/zinc/34/77/91/428347791.db2.gz TZMKRQZENQVNRB-NSISKUIASA-N 2 1 323.440 2.830 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000342209389 428350567 /nfs/dbraw/zinc/35/05/67/428350567.db2.gz RYGGXTUEVQAWSO-DOTOQJQBSA-N 2 1 313.449 2.792 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342102402 428301752 /nfs/dbraw/zinc/30/17/52/428301752.db2.gz MCNULSSWEAUYTI-BPQIPLTHSA-N 2 1 323.440 2.838 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342102402 428301760 /nfs/dbraw/zinc/30/17/60/428301760.db2.gz MCNULSSWEAUYTI-BPQIPLTHSA-N 2 1 323.440 2.838 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414747753 428391998 /nfs/dbraw/zinc/39/19/98/428391998.db2.gz SRJVEXROVMGFDK-XNIRIUNOSA-N 2 1 310.482 2.818 20 0 DFADMP O=C(NCCCCC[NH+]1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000357112584 428392426 /nfs/dbraw/zinc/39/24/26/428392426.db2.gz CSYYDIPUKZRQAC-SFHVURJKSA-N 2 1 321.509 2.776 20 0 DFADMP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414751215 428392531 /nfs/dbraw/zinc/39/25/31/428392531.db2.gz AAMGUXZLMNCWPH-LAQRGFTBSA-N 2 1 316.445 2.753 20 0 DFADMP CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414754290 428395960 /nfs/dbraw/zinc/39/59/60/428395960.db2.gz XMOMIRQVPKLTLS-ZBFHGGJFSA-N 2 1 322.424 2.579 20 0 DFADMP CCOC(=O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414754290 428395967 /nfs/dbraw/zinc/39/59/67/428395967.db2.gz XMOMIRQVPKLTLS-ZBFHGGJFSA-N 2 1 322.424 2.579 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)CC[NH2+]1 ZINC000414760899 428396076 /nfs/dbraw/zinc/39/60/76/428396076.db2.gz HWIDBFGOYFLGAD-BRWVUGGUSA-N 2 1 316.493 2.787 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH2+]1 ZINC000414756477 428396149 /nfs/dbraw/zinc/39/61/49/428396149.db2.gz JRSKYNDVLUECIL-HZPDHXFCSA-N 3 1 316.493 2.787 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1 ZINC000414791222 428414134 /nfs/dbraw/zinc/41/41/34/428414134.db2.gz QSHXPNIHWSRZPJ-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1 ZINC000414791222 428414140 /nfs/dbraw/zinc/41/41/40/428414140.db2.gz QSHXPNIHWSRZPJ-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000414769028 428398464 /nfs/dbraw/zinc/39/84/64/428398464.db2.gz MYURMNYJJYISON-BHYGNILZSA-N 2 1 320.452 2.944 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc(Cl)c1OC ZINC000414769451 428398649 /nfs/dbraw/zinc/39/86/49/428398649.db2.gz NMFGCINHRJICHF-OKILXGFUSA-N 2 1 324.852 2.789 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1OC(C)C ZINC000414769862 428399148 /nfs/dbraw/zinc/39/91/48/428399148.db2.gz NXJIDQOTULHKRJ-IYBDPMFKSA-N 2 1 318.461 2.914 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC[NH2+]C1 ZINC000346992413 428399459 /nfs/dbraw/zinc/39/94/59/428399459.db2.gz UCFGPKFFKYYJGJ-VQTJNVASSA-N 2 1 315.505 2.830 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC[NH2+]C1 ZINC000346992415 428400352 /nfs/dbraw/zinc/40/03/52/428400352.db2.gz UCFGPKFFKYYJGJ-WOJBJXKFSA-N 2 1 315.505 2.830 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346995616 428400653 /nfs/dbraw/zinc/40/06/53/428400653.db2.gz BOJXOBFIRPJSKT-JSGCOSHPSA-N 2 1 302.397 2.775 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771781 428400896 /nfs/dbraw/zinc/40/08/96/428400896.db2.gz AOIXCBJBHALXKV-ROUUACIJSA-N 2 1 318.461 2.533 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1[NH3+] ZINC000346998360 428402282 /nfs/dbraw/zinc/40/22/82/428402282.db2.gz CSJVMEBHCOJIBT-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1[NH3+] ZINC000346998360 428402288 /nfs/dbraw/zinc/40/22/88/428402288.db2.gz CSJVMEBHCOJIBT-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774063 428402359 /nfs/dbraw/zinc/40/23/59/428402359.db2.gz FDPLXHZQGAUMCE-HOCLYGCPSA-N 2 1 306.425 2.617 20 0 DFADMP CCC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)C1CC[NH2+]CC1 ZINC000347001322 428402796 /nfs/dbraw/zinc/40/27/96/428402796.db2.gz HNKVGTFKMSQWQM-UHFFFAOYSA-N 2 1 315.465 2.976 20 0 DFADMP CCOc1c(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)nn1CC(C)C ZINC000346997921 428402839 /nfs/dbraw/zinc/40/28/39/428402839.db2.gz DRPGWGUPGMAAKI-GOEBONIOSA-N 2 1 322.497 2.805 20 0 DFADMP CCOc1c(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(C)nn1CC(C)C ZINC000346997921 428402842 /nfs/dbraw/zinc/40/28/42/428402842.db2.gz DRPGWGUPGMAAKI-GOEBONIOSA-N 2 1 322.497 2.805 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC12CCOCC2 ZINC000414777322 428403487 /nfs/dbraw/zinc/40/34/87/428403487.db2.gz IBAFYAOEBZALPG-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC12CCOCC2 ZINC000414777322 428403493 /nfs/dbraw/zinc/40/34/93/428403493.db2.gz IBAFYAOEBZALPG-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP Clc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780364 428404276 /nfs/dbraw/zinc/40/42/76/428404276.db2.gz LKLNUTKXLQLKGE-KBPBESRZSA-N 2 1 318.852 2.809 20 0 DFADMP CCSc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414782024 428406064 /nfs/dbraw/zinc/40/60/64/428406064.db2.gz NXACQYVFQAHLFC-MRXNPFEDSA-N 2 1 320.502 2.986 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784876 428406575 /nfs/dbraw/zinc/40/65/75/428406575.db2.gz RSCUHGWXTARQPZ-CVEARBPZSA-N 2 1 318.461 2.834 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414785032 428407998 /nfs/dbraw/zinc/40/79/98/428407998.db2.gz SBDRMZWHEKTVEM-CVEARBPZSA-N 2 1 304.434 2.525 20 0 DFADMP c1cc(CCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414787652 428409733 /nfs/dbraw/zinc/40/97/33/428409733.db2.gz VSAJTOPWCNABCU-OALUTQOASA-N 2 1 314.473 2.876 20 0 DFADMP c1c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789959 428409987 /nfs/dbraw/zinc/40/99/87/428409987.db2.gz ZCTUKYDKRXJXPW-IAGOWNOFSA-N 2 1 310.445 2.898 20 0 DFADMP CC[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414786285 428410660 /nfs/dbraw/zinc/41/06/60/428410660.db2.gz UMRZBGBLBPWKOV-AEFFLSMTSA-N 2 1 302.462 2.868 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790101 428412565 /nfs/dbraw/zinc/41/25/65/428412565.db2.gz ZLEDZNBCYRDCIR-HUUCEWRRSA-N 2 1 304.434 2.525 20 0 DFADMP CCCCCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371091631 428356633 /nfs/dbraw/zinc/35/66/33/428356633.db2.gz WCNJBRLOJIAQRS-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000356985378 428369385 /nfs/dbraw/zinc/36/93/85/428369385.db2.gz NZKCITJWVMRBHQ-YRXWBPOGSA-N 2 1 307.526 2.771 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000371158081 428371670 /nfs/dbraw/zinc/37/16/70/428371670.db2.gz ZYLJRBUISSPRAI-HZPDHXFCSA-N 2 1 318.465 2.560 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000342268639 428375848 /nfs/dbraw/zinc/37/58/48/428375848.db2.gz QHDLWTSDHMQNQR-YOEHRIQHSA-N 2 1 312.404 2.708 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414684843 428375917 /nfs/dbraw/zinc/37/59/17/428375917.db2.gz WZMNYCVJKPKBDF-AEFFLSMTSA-N 2 1 319.468 2.722 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414698959 428378395 /nfs/dbraw/zinc/37/83/95/428378395.db2.gz REOBLROIOFHMAJ-YQVWRLOYSA-N 2 1 301.478 2.581 20 0 DFADMP CCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357070731 428378976 /nfs/dbraw/zinc/37/89/76/428378976.db2.gz APUTUWBAEYKRLR-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP C[N@@H+](CCCc1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258189 428380179 /nfs/dbraw/zinc/38/01/79/428380179.db2.gz LRXJEZMPXPQZSM-HXUWFJFHSA-N 2 1 315.505 2.720 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414714468 428382890 /nfs/dbraw/zinc/38/28/90/428382890.db2.gz PUDBVPMYFLIXIC-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414714289 428384180 /nfs/dbraw/zinc/38/41/80/428384180.db2.gz UZHIPTMFCPEHBN-HOTGVXAUSA-N 2 1 310.445 2.619 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC[NH2+]1 ZINC000414715628 428385417 /nfs/dbraw/zinc/38/54/17/428385417.db2.gz RHXUOLRORDYXDO-HHXXYDBFSA-N 2 1 302.462 2.648 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000414715439 428386353 /nfs/dbraw/zinc/38/63/53/428386353.db2.gz WUGCARZAYWNWCL-ROUUACIJSA-N 2 1 321.509 2.619 20 0 DFADMP COCCCOc1cccc(C[NH2+]CC2([NH3+])CCCCC2)c1 ZINC000414847949 428434148 /nfs/dbraw/zinc/43/41/48/428434148.db2.gz VLCPZMDBCKAEJD-UHFFFAOYSA-N 2 1 306.450 2.853 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H](O)Cc1cccc(Cl)c1 ZINC000347076176 428434327 /nfs/dbraw/zinc/43/43/27/428434327.db2.gz BGDKVUUWGJAMDJ-QGZVFWFLSA-N 2 1 310.869 2.661 20 0 DFADMP Cc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)ccc1-n1cncn1 ZINC000414856423 428436357 /nfs/dbraw/zinc/43/63/57/428436357.db2.gz ZARMVACIOBHCAF-KRWDZBQOSA-N 2 1 313.449 2.573 20 0 DFADMP Cn1cc(C[N@H+](C)C2CC[NH2+]CC2)c(-c2ccccc2Cl)n1 ZINC000347089887 428438449 /nfs/dbraw/zinc/43/84/49/428438449.db2.gz DRYCKTYWPWKCPB-UHFFFAOYSA-N 2 1 318.852 2.924 20 0 DFADMP Cn1cc(C[N@@H+](C)C2CC[NH2+]CC2)c(-c2ccccc2Cl)n1 ZINC000347089887 428438455 /nfs/dbraw/zinc/43/84/55/428438455.db2.gz DRYCKTYWPWKCPB-UHFFFAOYSA-N 2 1 318.852 2.924 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(-c3cccnc3)n[nH]2)[C@H](C)C1 ZINC000372403462 428439030 /nfs/dbraw/zinc/43/90/30/428439030.db2.gz DCUSKCCOIUBAHG-KDOFPFPSSA-N 2 1 313.449 2.634 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000347094218 428442544 /nfs/dbraw/zinc/44/25/44/428442544.db2.gz HDYZNZYEIAUIJB-ZDUSSCGKSA-N 2 1 318.852 2.911 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000347094218 428442548 /nfs/dbraw/zinc/44/25/48/428442548.db2.gz HDYZNZYEIAUIJB-ZDUSSCGKSA-N 2 1 318.852 2.911 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C2CC2)cc1OCCC(C)C ZINC000414885208 428445216 /nfs/dbraw/zinc/44/52/16/428445216.db2.gz BRHMBCORBCCXTQ-INIZCTEOSA-N 2 1 306.450 2.947 20 0 DFADMP CCc1ccccc1C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372468520 428448228 /nfs/dbraw/zinc/44/82/28/428448228.db2.gz IFJJIZIKFPYGTA-HXUWFJFHSA-N 2 1 315.505 2.849 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357238064 428449046 /nfs/dbraw/zinc/44/90/46/428449046.db2.gz PMSOBBIWVJAYDR-CGTJXYLNSA-N 2 1 322.518 2.601 20 0 DFADMP C[C@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379656173 428450665 /nfs/dbraw/zinc/45/06/65/428450665.db2.gz OJBCLMKIFQUJRZ-HIFRSBDPSA-N 2 1 318.383 2.800 20 0 DFADMP C[C@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000379656173 428450674 /nfs/dbraw/zinc/45/06/74/428450674.db2.gz OJBCLMKIFQUJRZ-HIFRSBDPSA-N 2 1 318.383 2.800 20 0 DFADMP CC(C)([NH3+])CCC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379660174 428451464 /nfs/dbraw/zinc/45/14/64/428451464.db2.gz BUVLSGBPVLYSIV-QGZVFWFLSA-N 2 1 317.477 2.675 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000360834572 428456626 /nfs/dbraw/zinc/45/66/26/428456626.db2.gz JBCSYFRGSXSYCJ-CRAIPNDOSA-N 2 1 302.462 2.845 20 0 DFADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414923006 428459074 /nfs/dbraw/zinc/45/90/74/428459074.db2.gz DODOZGQHLNREAD-HZPDHXFCSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414923004 428460605 /nfs/dbraw/zinc/46/06/05/428460605.db2.gz DODOZGQHLNREAD-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000386768832 428460763 /nfs/dbraw/zinc/46/07/63/428460763.db2.gz HHJVVQSPBHAAPC-SJLPKXTDSA-N 2 1 301.434 2.609 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414936679 428462309 /nfs/dbraw/zinc/46/23/09/428462309.db2.gz DBVFCUBNAPPEBF-FVQBIDKESA-N 2 1 306.450 2.755 20 0 DFADMP C[C@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942486 428464473 /nfs/dbraw/zinc/46/44/73/428464473.db2.gz DNYNJNSNJZQAHO-FUHWJXTLSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942486 428464475 /nfs/dbraw/zinc/46/44/75/428464475.db2.gz DNYNJNSNJZQAHO-FUHWJXTLSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942486 428464482 /nfs/dbraw/zinc/46/44/82/428464482.db2.gz DNYNJNSNJZQAHO-FUHWJXTLSA-N 3 1 303.494 2.875 20 0 DFADMP CCOc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347144274 428466750 /nfs/dbraw/zinc/46/67/50/428466750.db2.gz XNWVFRPVPVGMBI-XYPWUTKMSA-N 2 1 304.434 2.809 20 0 DFADMP CCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000347144274 428466753 /nfs/dbraw/zinc/46/67/53/428466753.db2.gz XNWVFRPVPVGMBI-XYPWUTKMSA-N 2 1 304.434 2.809 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347144024 428466912 /nfs/dbraw/zinc/46/69/12/428466912.db2.gz XETPQXBHZFCXQB-LBPRGKRZSA-N 2 1 302.340 2.669 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347144024 428466916 /nfs/dbraw/zinc/46/69/16/428466916.db2.gz XETPQXBHZFCXQB-LBPRGKRZSA-N 2 1 302.340 2.669 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc(Cl)c1OC ZINC000414953444 428469114 /nfs/dbraw/zinc/46/91/14/428469114.db2.gz RPYGGAWKLSFTNS-YPMHNXCESA-N 2 1 312.841 2.977 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000414800104 428415656 /nfs/dbraw/zinc/41/56/56/428415656.db2.gz RTBGRFMHIOZYMY-LBPRGKRZSA-N 2 1 302.365 2.760 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000414802719 428415997 /nfs/dbraw/zinc/41/59/97/428415997.db2.gz MXUTYAJQTUEOTG-LBPRGKRZSA-N 2 1 303.631 2.929 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347035553 428416326 /nfs/dbraw/zinc/41/63/26/428416326.db2.gz DMSKISLTGVJHLQ-AAEUAGOBSA-N 2 1 304.463 2.832 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347035553 428416331 /nfs/dbraw/zinc/41/63/31/428416331.db2.gz DMSKISLTGVJHLQ-AAEUAGOBSA-N 2 1 304.463 2.832 20 0 DFADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414799405 428416657 /nfs/dbraw/zinc/41/66/57/428416657.db2.gz DNPQETJBPLJXSA-XPTSAGLGSA-N 2 1 315.230 2.846 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000414804917 428419565 /nfs/dbraw/zinc/41/95/65/428419565.db2.gz YGLHYFLDXOSJMN-NOZJJQNGSA-N 2 1 301.203 2.805 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414811597 428419868 /nfs/dbraw/zinc/41/98/68/428419868.db2.gz JPXIFRCBQHSXJT-WMZOPIPTSA-N 2 1 306.450 2.852 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414816778 428420765 /nfs/dbraw/zinc/42/07/65/428420765.db2.gz QPHFBIODXSWBNZ-DZGCQCFKSA-N 2 1 307.438 2.519 20 0 DFADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(Cl)c1OC ZINC000414818704 428421305 /nfs/dbraw/zinc/42/13/05/428421305.db2.gz WKDQFQNKQGOQHG-FUNVUKJBSA-N 2 1 310.825 2.730 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000347044541 428421888 /nfs/dbraw/zinc/42/18/88/428421888.db2.gz NELIODLAHSFPGG-RISCZKNCSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]C1 ZINC000414819601 428422433 /nfs/dbraw/zinc/42/24/33/428422433.db2.gz HYLXOOJYSWJBDD-RHSMWYFYSA-N 2 1 316.424 2.548 20 0 DFADMP Clc1ccccc1CN1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000414821367 428424774 /nfs/dbraw/zinc/42/47/74/428424774.db2.gz CAVUKFVVLXMLOM-INIZCTEOSA-N 2 1 307.869 2.646 20 0 DFADMP Clc1ccc(-n2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)cc1 ZINC000414821718 428424938 /nfs/dbraw/zinc/42/49/38/428424938.db2.gz BTWORPYXCSCFFD-XYPWUTKMSA-N 2 1 316.836 2.898 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414835782 428428372 /nfs/dbraw/zinc/42/83/72/428428372.db2.gz HUQLEIGGZSDTSW-GOEBONIOSA-N 2 1 305.466 2.929 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[NH2+]CC2([NH3+])CCCCC2)cc1 ZINC000414834901 428428535 /nfs/dbraw/zinc/42/85/35/428428535.db2.gz CHWBAUCMLOGZQJ-UHFFFAOYSA-N 2 1 314.433 2.837 20 0 DFADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000347057362 428429178 /nfs/dbraw/zinc/42/91/78/428429178.db2.gz VTKJZJIEQCFWGE-NHYWBVRUSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000347057362 428429185 /nfs/dbraw/zinc/42/91/85/428429185.db2.gz VTKJZJIEQCFWGE-NHYWBVRUSA-N 2 1 304.825 2.899 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CC1([NH3+])CCCCC1 ZINC000414841091 428429973 /nfs/dbraw/zinc/42/99/73/428429973.db2.gz KYOJAXNIODRADI-UHFFFAOYSA-N 2 1 313.449 2.635 20 0 DFADMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1OC(F)F ZINC000414852050 428432494 /nfs/dbraw/zinc/43/24/94/428432494.db2.gz QCRGGCWXLXIHFX-LBPRGKRZSA-N 2 1 302.365 2.760 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C[NH3+])CC(C)C)cc1Br ZINC000414854132 428432915 /nfs/dbraw/zinc/43/29/15/428432915.db2.gz ULRJOWQZHSLTSB-GFCCVEGCSA-N 2 1 315.255 2.921 20 0 DFADMP OC[C@@H]1CCCN1C[C@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000372343173 428432961 /nfs/dbraw/zinc/43/29/61/428432961.db2.gz BOOKIEUTDNHMQR-UXHICEINSA-N 2 1 316.489 2.930 20 0 DFADMP OC[C@@H]1CCC[N@@H+]1C[C@H]1CCCN1CCCCc1ccccc1 ZINC000372343173 428432970 /nfs/dbraw/zinc/43/29/70/428432970.db2.gz BOOKIEUTDNHMQR-UXHICEINSA-N 2 1 316.489 2.930 20 0 DFADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1CCCCc1ccccc1 ZINC000372343173 428432978 /nfs/dbraw/zinc/43/29/78/428432978.db2.gz BOOKIEUTDNHMQR-UXHICEINSA-N 2 1 316.489 2.930 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCCCC1 ZINC000414845434 428433096 /nfs/dbraw/zinc/43/30/96/428433096.db2.gz QWFXUIXYSGXVPU-UHFFFAOYSA-N 2 1 310.825 2.862 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c1 ZINC000414851182 428433169 /nfs/dbraw/zinc/43/31/69/428433169.db2.gz OVGASWFVOZSACA-HOTGVXAUSA-N 2 1 305.466 2.984 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000360897339 428483375 /nfs/dbraw/zinc/48/33/75/428483375.db2.gz MAYSDQYRWKIVCX-IRXDYDNUSA-N 2 1 304.478 2.642 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC000415002178 428485266 /nfs/dbraw/zinc/48/52/66/428485266.db2.gz NJMKPAUMASVCSR-BIOMNHJASA-N 2 1 302.315 2.812 20 0 DFADMP FC(F)COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414999591 428485306 /nfs/dbraw/zinc/48/53/06/428485306.db2.gz JJOYJMBTIRSCAW-LBPRGKRZSA-N 2 1 320.330 2.665 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)[C@H](C)C1 ZINC000372682031 428485886 /nfs/dbraw/zinc/48/58/86/428485886.db2.gz LJKYGUAIXGHEDX-NUJGCVRESA-N 2 1 301.478 2.615 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000353331550 428491286 /nfs/dbraw/zinc/49/12/86/428491286.db2.gz WECITSAFIPSRJY-AQNXPRMDSA-N 2 1 313.489 2.502 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000415014074 428491491 /nfs/dbraw/zinc/49/14/91/428491491.db2.gz ZGHFFPMDPKNQNL-LLVKDONJSA-N 2 1 319.193 2.784 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000395368815 428494921 /nfs/dbraw/zinc/49/49/21/428494921.db2.gz OBZAYSHSELGOCX-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000395368815 428494928 /nfs/dbraw/zinc/49/49/28/428494928.db2.gz OBZAYSHSELGOCX-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000395368815 428494934 /nfs/dbraw/zinc/49/49/34/428494934.db2.gz OBZAYSHSELGOCX-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368815 428494939 /nfs/dbraw/zinc/49/49/39/428494939.db2.gz OBZAYSHSELGOCX-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368815 428494944 /nfs/dbraw/zinc/49/49/44/428494944.db2.gz OBZAYSHSELGOCX-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415037624 428495082 /nfs/dbraw/zinc/49/50/82/428495082.db2.gz GWOYIIYFQSLYQP-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000396344743 428497659 /nfs/dbraw/zinc/49/76/59/428497659.db2.gz PAVYJMJODPMGCR-ZHALLVOQSA-N 2 1 301.478 2.581 20 0 DFADMP CC[C@@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000415044244 428497786 /nfs/dbraw/zinc/49/77/86/428497786.db2.gz ASNRJCCCTUWKKV-KKXNLOMOSA-N 2 1 315.505 2.986 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415046659 428498075 /nfs/dbraw/zinc/49/80/75/428498075.db2.gz CZURDSOXHSVMLA-UPHRSURJSA-N 2 1 317.452 2.645 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000396622645 428500919 /nfs/dbraw/zinc/50/09/19/428500919.db2.gz VGNBOPACNOYJAK-DKKFBQAASA-N 2 1 301.478 2.770 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415050645 428501478 /nfs/dbraw/zinc/50/14/78/428501478.db2.gz IXFMSGCMKDWZMP-SJORKVTESA-N 2 1 306.450 2.707 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054756 428504196 /nfs/dbraw/zinc/50/41/96/428504196.db2.gz QJWIMTRMGWGEAK-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP C1CC1[C@@H]1CCCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058098 428504561 /nfs/dbraw/zinc/50/45/61/428504561.db2.gz SJHMCJFJHDTVBO-BTRQGYIVSA-N 2 1 305.510 2.761 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397255952 428506936 /nfs/dbraw/zinc/50/69/36/428506936.db2.gz GMMHDHOIJPWBRT-GUTXKFCHSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397255952 428506942 /nfs/dbraw/zinc/50/69/42/428506942.db2.gz GMMHDHOIJPWBRT-GUTXKFCHSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415066254 428507332 /nfs/dbraw/zinc/50/73/32/428507332.db2.gz OGFKHZJAIJXMBR-SUMWQHHRSA-N 2 1 319.449 2.519 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397396612 428508408 /nfs/dbraw/zinc/50/84/08/428508408.db2.gz PMMIOVYZRPFPHA-OAGGEKHMSA-N 2 1 306.450 2.769 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000397442235 428508425 /nfs/dbraw/zinc/50/84/25/428508425.db2.gz GFIRWRHMHIDQHP-MDZRGWNJSA-N 2 1 312.461 2.737 20 0 DFADMP CC1=CC[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000347247610 428509391 /nfs/dbraw/zinc/50/93/91/428509391.db2.gz QWUIZVWMHXVWBZ-SFHVURJKSA-N 2 1 319.493 2.552 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000397404244 428509868 /nfs/dbraw/zinc/50/98/68/428509868.db2.gz SKMDLXOTAVHAOO-BJJXKVORSA-N 2 1 306.450 2.817 20 0 DFADMP C[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@@H](O)C[NH3+] ZINC000415069612 428511018 /nfs/dbraw/zinc/51/10/18/428511018.db2.gz PGVLTECCNMNXMY-LBPRGKRZSA-N 2 1 305.249 2.568 20 0 DFADMP C[C@@]1(C[NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]C1 ZINC000415081258 428512667 /nfs/dbraw/zinc/51/26/67/428512667.db2.gz KNNNGILCBASXBX-CYBMUJFWSA-N 2 1 301.203 2.677 20 0 DFADMP CCc1noc(-c2ccc(CC[NH2+]CC[NH2+]C(C)(C)C)cc2)n1 ZINC000415083255 428512729 /nfs/dbraw/zinc/51/27/29/428512729.db2.gz MTNNZUQMZJCGCT-UHFFFAOYSA-N 2 1 316.449 2.819 20 0 DFADMP C[C@@]1(CN[C@H]2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000398016716 428513557 /nfs/dbraw/zinc/51/35/57/428513557.db2.gz RCOSFLOMLNYRFS-OALUTQOASA-N 2 1 301.478 2.773 20 0 DFADMP C[C@@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000398016716 428513565 /nfs/dbraw/zinc/51/35/65/428513565.db2.gz RCOSFLOMLNYRFS-OALUTQOASA-N 2 1 301.478 2.773 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)(C)n1cncn1 ZINC000353388412 428515791 /nfs/dbraw/zinc/51/57/91/428515791.db2.gz PTFCLYGLOMMULH-HZPDHXFCSA-N 2 1 307.486 2.646 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+]CC1 ZINC000398054374 428517238 /nfs/dbraw/zinc/51/72/38/428517238.db2.gz YYIRMXPVIHUCGA-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000398054374 428517239 /nfs/dbraw/zinc/51/72/39/428517239.db2.gz YYIRMXPVIHUCGA-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H]2CCC[C@H]21 ZINC000353392376 428518546 /nfs/dbraw/zinc/51/85/46/428518546.db2.gz GIXFAAMXRQXSHF-VNQPRFMTSA-N 2 1 310.388 2.806 20 0 DFADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000343088006 428518846 /nfs/dbraw/zinc/51/88/46/428518846.db2.gz LKICAZZNPLHDBW-UHFFFAOYSA-N 2 1 323.484 2.936 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH2+]C1CC1 ZINC000398063655 428520446 /nfs/dbraw/zinc/52/04/46/428520446.db2.gz XCMANEWGDKNIED-QFBILLFUSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000415129312 428531932 /nfs/dbraw/zinc/53/19/32/428531932.db2.gz PEKSFAKZPRKCJT-OCCSQVGLSA-N 2 1 302.397 2.633 20 0 DFADMP O=C(CCc1ncc[nH]1)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000353422238 428528450 /nfs/dbraw/zinc/52/84/50/428528450.db2.gz QQIIGBQRCFVPEY-INIZCTEOSA-N 2 1 318.465 2.503 20 0 DFADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCCC3CCCCC3)C2)nn1 ZINC000415124223 428530338 /nfs/dbraw/zinc/53/03/38/428530338.db2.gz JZFFLGMCOWQFKD-QGZVFWFLSA-N 2 1 305.470 2.734 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000414956186 428471067 /nfs/dbraw/zinc/47/10/67/428471067.db2.gz UZHBXPOZZUAJJZ-WFASDCNBSA-N 2 1 304.825 2.756 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414954602 428472219 /nfs/dbraw/zinc/47/22/19/428472219.db2.gz STVCRJDZYVPWPL-ONGXEEELSA-N 2 1 301.203 2.818 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414958771 428472628 /nfs/dbraw/zinc/47/26/28/428472628.db2.gz SJPFCDGTCPMLEK-DZKIICNBSA-N 2 1 303.450 2.696 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390749340 428473249 /nfs/dbraw/zinc/47/32/49/428473249.db2.gz RPYJJUTWKGFSOZ-DOTOQJQBSA-N 2 1 319.493 2.647 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414974546 428477348 /nfs/dbraw/zinc/47/73/48/428477348.db2.gz NQYUKQIPKPSNEV-SFHVURJKSA-N 3 1 301.478 2.773 20 0 DFADMP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000361612875 428582628 /nfs/dbraw/zinc/58/26/28/428582628.db2.gz XZUAIVVZESKPIZ-HOTGVXAUSA-N 2 1 309.498 2.665 20 0 DFADMP COc1cc(C[N@@H+](C)CCCN(C)Cc2ccco2)ccn1 ZINC000353539741 428583023 /nfs/dbraw/zinc/58/30/23/428583023.db2.gz ACSSXFYLFZRGKZ-UHFFFAOYSA-N 2 1 303.406 2.637 20 0 DFADMP COc1cc(CN(C)CCC[N@H+](C)Cc2ccco2)ccn1 ZINC000353539741 428583027 /nfs/dbraw/zinc/58/30/27/428583027.db2.gz ACSSXFYLFZRGKZ-UHFFFAOYSA-N 2 1 303.406 2.637 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343867908 428585673 /nfs/dbraw/zinc/58/56/73/428585673.db2.gz RBXJZMFXIWIHCC-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343867908 428585680 /nfs/dbraw/zinc/58/56/80/428585680.db2.gz RBXJZMFXIWIHCC-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343867908 428585684 /nfs/dbraw/zinc/58/56/84/428585684.db2.gz RBXJZMFXIWIHCC-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343867908 428585688 /nfs/dbraw/zinc/58/56/88/428585688.db2.gz RBXJZMFXIWIHCC-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc21 ZINC000358371961 428595031 /nfs/dbraw/zinc/59/50/31/428595031.db2.gz WJGZRCWUIHNDLO-UNEWFSDZSA-N 2 1 301.434 2.557 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccco1)CC[C@H]1CCCC[NH+]1C ZINC000353545153 428587974 /nfs/dbraw/zinc/58/79/74/428587974.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[NH+](C)Cc1ccco1)CC[C@H]1CCCC[N@@H+]1C ZINC000353545153 428587980 /nfs/dbraw/zinc/58/79/80/428587980.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[NH+](C)Cc1ccco1)CC[C@H]1CCCC[N@H+]1C ZINC000353545153 428587986 /nfs/dbraw/zinc/58/79/86/428587986.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[N@H+](C)CC[C@H]1CCCC[NH+]1C)Cc1ccco1 ZINC000353545153 428587989 /nfs/dbraw/zinc/58/79/89/428587989.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)Cc1ccco1 ZINC000353545153 428587994 /nfs/dbraw/zinc/58/79/94/428587994.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[NH+](C)CC[C@H]1CCCC[N@@H+]1C)Cc1ccco1 ZINC000353545153 428588000 /nfs/dbraw/zinc/58/80/00/428588000.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[NH+](C)CC[C@H]1CCCC[N@H+]1C)Cc1ccco1 ZINC000353545153 428588005 /nfs/dbraw/zinc/58/80/05/428588005.db2.gz RGGDMLIXGRFUCI-QGZVFWFLSA-N 2 1 307.482 2.908 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc21 ZINC000358371961 428595035 /nfs/dbraw/zinc/59/50/35/428595035.db2.gz WJGZRCWUIHNDLO-UNEWFSDZSA-N 2 1 301.434 2.557 20 0 DFADMP C[C@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050130 428532224 /nfs/dbraw/zinc/53/22/24/428532224.db2.gz UTIOBKHBNLDFEB-HOCLYGCPSA-N 2 1 323.481 2.626 20 0 DFADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000399115720 428533806 /nfs/dbraw/zinc/53/38/06/428533806.db2.gz FWTQJHOOSFBEIN-OGWHTMIXSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000399060379 428534078 /nfs/dbraw/zinc/53/40/78/428534078.db2.gz LKNDLILOMVFGQQ-NEPXVJNWSA-N 2 1 301.478 2.770 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534295 /nfs/dbraw/zinc/53/42/95/428534295.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 2 1 313.489 2.723 20 0 DFADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534298 /nfs/dbraw/zinc/53/42/98/428534298.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 2 1 313.489 2.723 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534301 /nfs/dbraw/zinc/53/43/01/428534301.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534305 /nfs/dbraw/zinc/53/43/05/428534305.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353432878 428534308 /nfs/dbraw/zinc/53/43/08/428534308.db2.gz DAUUGWIXTHOOLE-FYQPLNBISA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000415140877 428536385 /nfs/dbraw/zinc/53/63/85/428536385.db2.gz NWRSWQMIWREHEO-OLMNPRSZSA-N 2 1 318.436 2.630 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449744 428539445 /nfs/dbraw/zinc/53/94/45/428539445.db2.gz SFWZOGTYMAJWSR-QBPKDAKJSA-N 2 1 307.507 2.813 20 0 DFADMP CCN(CC)C(=O)[C@H]1CCC[N@H+]1CCCc1ccc(C)nc1 ZINC000353448459 428540069 /nfs/dbraw/zinc/54/00/69/428540069.db2.gz MTHRLOVKJBYFNL-QGZVFWFLSA-N 2 1 303.450 2.655 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000347315600 428542482 /nfs/dbraw/zinc/54/24/82/428542482.db2.gz QDEVFZWRDMJIJH-ZACQAIPSSA-N 2 1 308.491 2.630 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000347315600 428542484 /nfs/dbraw/zinc/54/24/84/428542484.db2.gz QDEVFZWRDMJIJH-ZACQAIPSSA-N 2 1 308.491 2.630 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@H](c2ccsc2)C1 ZINC000347315600 428542488 /nfs/dbraw/zinc/54/24/88/428542488.db2.gz QDEVFZWRDMJIJH-ZACQAIPSSA-N 2 1 308.491 2.630 20 0 DFADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400337541 428543395 /nfs/dbraw/zinc/54/33/95/428543395.db2.gz DRTCNDVXWIBTMX-NEWSRXKRSA-N 2 1 303.494 2.731 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CC[NH2+]C1 ZINC000400337541 428543399 /nfs/dbraw/zinc/54/33/99/428543399.db2.gz DRTCNDVXWIBTMX-NEWSRXKRSA-N 2 1 303.494 2.731 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400331269 428544248 /nfs/dbraw/zinc/54/42/48/428544248.db2.gz DQPVUKJYFKVDCN-UHOSZYNNSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400331269 428544252 /nfs/dbraw/zinc/54/42/52/428544252.db2.gz DQPVUKJYFKVDCN-UHOSZYNNSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449038 428545997 /nfs/dbraw/zinc/54/59/97/428545997.db2.gz OFKKIHMHFFMLPG-HOCLYGCPSA-N 2 1 323.481 2.626 20 0 DFADMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400514518 428546678 /nfs/dbraw/zinc/54/66/78/428546678.db2.gz GCIRKPNSHMPPIB-WMZOPIPTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000358289674 428593946 /nfs/dbraw/zinc/59/39/46/428593946.db2.gz DCEIKWDMZTYNDU-FPCVCCKLSA-N 2 1 312.523 2.750 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400734264 428548613 /nfs/dbraw/zinc/54/86/13/428548613.db2.gz RIJBNGPKBJETCR-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP CC/C=C/CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000343540939 428558766 /nfs/dbraw/zinc/55/87/66/428558766.db2.gz XCNBZZLNQKUDLR-ZBKUBXTQSA-N 2 1 324.509 2.933 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000373389175 428565405 /nfs/dbraw/zinc/56/54/05/428565405.db2.gz RAXBBWWJHJOYCY-WBVHZDCISA-N 2 1 314.408 2.728 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000373389175 428565408 /nfs/dbraw/zinc/56/54/08/428565408.db2.gz RAXBBWWJHJOYCY-WBVHZDCISA-N 2 1 314.408 2.728 20 0 DFADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404333155 428565776 /nfs/dbraw/zinc/56/57/76/428565776.db2.gz ZVVSJEOGYMZEEX-SOLBZPMBSA-N 2 1 317.477 2.655 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(OC)c1 ZINC000353503812 428567385 /nfs/dbraw/zinc/56/73/85/428567385.db2.gz PXOPIIKYVGZRQA-KZNAEPCWSA-N 2 1 318.461 2.709 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404425206 428568194 /nfs/dbraw/zinc/56/81/94/428568194.db2.gz LBXFCAJXDATEAG-DZGCQCFKSA-N 2 1 322.449 2.662 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404425206 428568201 /nfs/dbraw/zinc/56/82/01/428568201.db2.gz LBXFCAJXDATEAG-DZGCQCFKSA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404399310 428569095 /nfs/dbraw/zinc/56/90/95/428569095.db2.gz QBKXFLBRISRFQU-HOTGVXAUSA-N 2 1 306.450 2.913 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000353509008 428570552 /nfs/dbraw/zinc/57/05/52/428570552.db2.gz IICYVWGMVHHIJI-FUMNGEBKSA-N 2 1 314.473 2.505 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@H](Nc3cc[nH+]cc3C)[C@@H](C)C2)s1 ZINC000373517500 428596697 /nfs/dbraw/zinc/59/66/97/428596697.db2.gz DALYNJZZLYKKDR-GUYCJALGSA-N 2 1 316.474 2.899 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000347532553 428598392 /nfs/dbraw/zinc/59/83/92/428598392.db2.gz UMRYHTHBJZSJNR-HOTGVXAUSA-N 2 1 311.514 2.781 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000353594337 428611964 /nfs/dbraw/zinc/61/19/64/428611964.db2.gz MTYKZCAOMWXFDS-IBGZPJMESA-N 2 1 310.445 2.615 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH+]1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000353594337 428611970 /nfs/dbraw/zinc/61/19/70/428611970.db2.gz MTYKZCAOMWXFDS-IBGZPJMESA-N 2 1 310.445 2.615 20 0 DFADMP CCC[C@@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000362081924 428616380 /nfs/dbraw/zinc/61/63/80/428616380.db2.gz ZARXEBGPWMHTRT-HOTGVXAUSA-N 2 1 320.481 2.900 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000353621320 428624845 /nfs/dbraw/zinc/62/48/45/428624845.db2.gz LYAFNIUDJHIGRB-QZWWFDLISA-N 2 1 316.445 2.679 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000344299208 428627996 /nfs/dbraw/zinc/62/79/96/428627996.db2.gz OEFRLLSVPOOYNV-FUHWJXTLSA-N 2 1 320.481 2.756 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000415945559 428633189 /nfs/dbraw/zinc/63/31/89/428633189.db2.gz RJSOJUKWJRYFNR-QGZVFWFLSA-N 2 1 318.465 2.744 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000415943376 428633510 /nfs/dbraw/zinc/63/35/10/428633510.db2.gz LPJAUGBCOYAFGS-HOTGVXAUSA-N 2 1 316.449 2.544 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415967189 428637245 /nfs/dbraw/zinc/63/72/45/428637245.db2.gz BDYLWJGQWASQSM-HNNXBMFYSA-N 2 1 318.465 2.921 20 0 DFADMP CO[C@@]1(C)CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000355602555 274073366 /nfs/dbraw/zinc/07/33/66/274073366.db2.gz VKKGSRIXMUHJAN-SFHVURJKSA-N 2 1 314.433 2.967 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000415948853 428635229 /nfs/dbraw/zinc/63/52/29/428635229.db2.gz YVDNOLWHOFVCCQ-PBHICJAKSA-N 2 1 318.465 2.743 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000416022813 428650749 /nfs/dbraw/zinc/65/07/49/428650749.db2.gz ZJSXFVDMPYEURK-MRXNPFEDSA-N 2 1 318.465 2.648 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000353659692 428644771 /nfs/dbraw/zinc/64/47/71/428644771.db2.gz AQYCRVUCXZJIBU-LQKXBSAESA-N 2 1 323.506 2.621 20 0 DFADMP CCNC(=O)CC[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358748009 428656508 /nfs/dbraw/zinc/65/65/08/428656508.db2.gz VEQMJTJPHCGXQO-UHFFFAOYSA-N 2 1 311.514 2.593 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000362194712 428656756 /nfs/dbraw/zinc/65/67/56/428656756.db2.gz KBAJWKWKMDVAOD-DLBZAZTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000362194712 428656760 /nfs/dbraw/zinc/65/67/60/428656760.db2.gz KBAJWKWKMDVAOD-DLBZAZTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000362194712 428656765 /nfs/dbraw/zinc/65/67/65/428656765.db2.gz KBAJWKWKMDVAOD-DLBZAZTESA-N 2 1 310.482 2.915 20 0 DFADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128679012 274210644 /nfs/dbraw/zinc/21/06/44/274210644.db2.gz VWGFWUZQAJIMJB-KRWDZBQOSA-N 2 1 321.484 2.764 20 0 DFADMP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716285 274259978 /nfs/dbraw/zinc/25/99/78/274259978.db2.gz HMFHDOJPXZBETO-FCNFAXOHSA-N 2 1 314.473 2.887 20 0 DFADMP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C[C@@H](C)O1 ZINC000367183374 274283230 /nfs/dbraw/zinc/28/32/30/274283230.db2.gz CHIQXZXLTDAEIB-AFQPOQBFSA-N 2 1 324.509 2.669 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132759151 274340404 /nfs/dbraw/zinc/34/04/04/274340404.db2.gz VKSMLXDIROHMOO-GPMSIDNRSA-N 2 1 301.478 2.974 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000374253979 428669693 /nfs/dbraw/zinc/66/96/93/428669693.db2.gz CIZXDSIQALYMLG-MRXNPFEDSA-N 2 1 324.472 2.840 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1C1CCN(C)CC1 ZINC000374253979 428669696 /nfs/dbraw/zinc/66/96/96/428669696.db2.gz CIZXDSIQALYMLG-MRXNPFEDSA-N 2 1 324.472 2.840 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](C/C=C\C[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348235615 428671000 /nfs/dbraw/zinc/67/10/00/428671000.db2.gz MDCGKDCUNDDIEV-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@]1(C)CCC[NH+](C/C=C\C[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348235615 428671003 /nfs/dbraw/zinc/67/10/03/428671003.db2.gz MDCGKDCUNDDIEV-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@]1(C)CCC[NH+](C/C=C\C[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348235615 428671007 /nfs/dbraw/zinc/67/10/07/428671007.db2.gz MDCGKDCUNDDIEV-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP c1cn2c(CN[C@H]3CC[N@H+]4CCC[C@H]4C3)c(C3CC3)nc2s1 ZINC000362253578 428675368 /nfs/dbraw/zinc/67/53/68/428675368.db2.gz FRQQEBOTFFDAQX-KBPBESRZSA-N 2 1 316.474 2.990 20 0 DFADMP c1cn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c(C3CC3)nc2s1 ZINC000362253578 428675373 /nfs/dbraw/zinc/67/53/73/428675373.db2.gz FRQQEBOTFFDAQX-KBPBESRZSA-N 2 1 316.474 2.990 20 0 DFADMP c1cn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c(C3CC3)nc2s1 ZINC000362253578 428675380 /nfs/dbraw/zinc/67/53/80/428675380.db2.gz FRQQEBOTFFDAQX-KBPBESRZSA-N 2 1 316.474 2.990 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000353750897 428696993 /nfs/dbraw/zinc/69/69/93/428696993.db2.gz OSCCCRCYOVQIHS-PBHICJAKSA-N 2 1 313.449 2.776 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000353750897 428697002 /nfs/dbraw/zinc/69/70/02/428697002.db2.gz OSCCCRCYOVQIHS-PBHICJAKSA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000353750897 428697007 /nfs/dbraw/zinc/69/70/07/428697007.db2.gz OSCCCRCYOVQIHS-PBHICJAKSA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)C[C@H]1C ZINC000353750897 428697013 /nfs/dbraw/zinc/69/70/13/428697013.db2.gz OSCCCRCYOVQIHS-PBHICJAKSA-N 2 1 313.449 2.776 20 0 DFADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416242212 428698406 /nfs/dbraw/zinc/69/84/06/428698406.db2.gz FHXIWBNUZWEZKP-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000353762706 428702030 /nfs/dbraw/zinc/70/20/30/428702030.db2.gz SDJLYBWVSYXGKP-HNNXBMFYSA-N 2 1 318.465 2.532 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000353762706 428702034 /nfs/dbraw/zinc/70/20/34/428702034.db2.gz SDJLYBWVSYXGKP-HNNXBMFYSA-N 2 1 318.465 2.532 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000348310522 428703744 /nfs/dbraw/zinc/70/37/44/428703744.db2.gz CFHVHNVWGKWJAL-XWIAVFTESA-N 2 1 305.441 2.501 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000348310522 428703748 /nfs/dbraw/zinc/70/37/48/428703748.db2.gz CFHVHNVWGKWJAL-XWIAVFTESA-N 2 1 305.441 2.501 20 0 DFADMP Cc1cc(C)n(CC[NH+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)n1 ZINC000348316427 428704478 /nfs/dbraw/zinc/70/44/78/428704478.db2.gz KDRJQZIDHVWDHR-WOJBJXKFSA-N 2 1 324.472 2.564 20 0 DFADMP Cc1ccncc1C[N@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000362343468 428712374 /nfs/dbraw/zinc/71/23/74/428712374.db2.gz VCDOFOSINSUHNG-UHFFFAOYSA-N 2 1 310.445 2.881 20 0 DFADMP CC[C@H](C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358873439 428712329 /nfs/dbraw/zinc/71/23/29/428712329.db2.gz NWWFHXWDAYCFEI-YESZJQIVSA-N 2 1 312.498 2.623 20 0 DFADMP CC[C@H](C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358873439 428712335 /nfs/dbraw/zinc/71/23/35/428712335.db2.gz NWWFHXWDAYCFEI-YESZJQIVSA-N 2 1 312.498 2.623 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000358915937 428729896 /nfs/dbraw/zinc/72/98/96/428729896.db2.gz QLKUWFSYPMRXQQ-SFHVURJKSA-N 2 1 310.445 2.934 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416163550 428681050 /nfs/dbraw/zinc/68/10/50/428681050.db2.gz YFPXUXRXKQLWHU-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1C[C@H]1c1ccccc1 ZINC000348263573 428684221 /nfs/dbraw/zinc/68/42/21/428684221.db2.gz LSARHOULRKMHSQ-QYZOEREBSA-N 2 1 302.462 2.617 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232392 428694561 /nfs/dbraw/zinc/69/45/61/428694561.db2.gz FOAJIJHLEJJFCX-WBVHZDCISA-N 2 1 305.466 2.524 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000348290248 428694691 /nfs/dbraw/zinc/69/46/91/428694691.db2.gz BLYWYIICGVHTEJ-KBPBESRZSA-N 2 1 319.371 2.749 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1[C@H](O)C(F)(F)F ZINC000348290248 428694697 /nfs/dbraw/zinc/69/46/97/428694697.db2.gz BLYWYIICGVHTEJ-KBPBESRZSA-N 2 1 319.371 2.749 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353753638 428695862 /nfs/dbraw/zinc/69/58/62/428695862.db2.gz MCTLREPFHZMMQJ-SZMVWBNQSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2C[C@H](F)C[C@H]2CO)cc1 ZINC000348487347 428756540 /nfs/dbraw/zinc/75/65/40/428756540.db2.gz BDFIXSJULXLOTN-MJEQTWJJSA-N 2 1 303.381 2.646 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2C[C@H](F)C[C@H]2CO)cc1 ZINC000348487347 428756544 /nfs/dbraw/zinc/75/65/44/428756544.db2.gz BDFIXSJULXLOTN-MJEQTWJJSA-N 2 1 303.381 2.646 20 0 DFADMP CSC1(C[N@@H+](C)C[C@@H]2CCCN(C)[C@@H]2c2ccnn2C)CC1 ZINC000348489872 428758136 /nfs/dbraw/zinc/75/81/36/428758136.db2.gz HFLRKUHGBMXYSH-HOCLYGCPSA-N 2 1 322.522 2.630 20 0 DFADMP CCn1nccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000374817035 428758712 /nfs/dbraw/zinc/75/87/12/428758712.db2.gz VDCBWDLLNQDZSB-SFHVURJKSA-N 2 1 318.509 2.889 20 0 DFADMP CCn1nccc1CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000374817035 428758726 /nfs/dbraw/zinc/75/87/26/428758726.db2.gz VDCBWDLLNQDZSB-SFHVURJKSA-N 2 1 318.509 2.889 20 0 DFADMP Cc1nnc([C@H](C)N2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000374862625 428768036 /nfs/dbraw/zinc/76/80/36/428768036.db2.gz LWROCFIIQRDYOI-NSHDSACASA-N 2 1 305.451 2.596 20 0 DFADMP CC[C@H](C(=O)NCC[NH+](CC)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000353907612 428772714 /nfs/dbraw/zinc/77/27/14/428772714.db2.gz RQEQFJMJLTUCJN-GOSISDBHSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C(=O)NCC[N@H+](CC)C(C)C)[NH+](C)Cc1ccccc1 ZINC000353907612 428772719 /nfs/dbraw/zinc/77/27/19/428772719.db2.gz RQEQFJMJLTUCJN-GOSISDBHSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C(=O)NCC[N@@H+](CC)C(C)C)[NH+](C)Cc1ccccc1 ZINC000353907612 428772726 /nfs/dbraw/zinc/77/27/26/428772726.db2.gz RQEQFJMJLTUCJN-GOSISDBHSA-N 2 1 319.493 2.744 20 0 DFADMP CC(C)(C)[N@@H+](CC(N)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411320169 428776830 /nfs/dbraw/zinc/77/68/30/428776830.db2.gz FQVPXJHMFHNWKC-UHFFFAOYSA-N 2 1 317.477 2.758 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000411320887 428777315 /nfs/dbraw/zinc/77/73/15/428777315.db2.gz BWJTXBZWJUEWGE-CQSZACIVSA-N 2 1 319.430 2.704 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cs1 ZINC000411320887 428777318 /nfs/dbraw/zinc/77/73/18/428777318.db2.gz BWJTXBZWJUEWGE-CQSZACIVSA-N 2 1 319.430 2.704 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000345160298 428777488 /nfs/dbraw/zinc/77/74/88/428777488.db2.gz PQSLRUYNCZPXKR-CABCVRRESA-N 2 1 303.450 2.804 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000353947532 428790084 /nfs/dbraw/zinc/79/00/84/428790084.db2.gz ZGRRJBGEKWHTAL-UHFFFAOYSA-N 2 1 300.450 2.858 20 0 DFADMP CC(C)NC(=O)C[N@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411159232 428748876 /nfs/dbraw/zinc/74/88/76/428748876.db2.gz VOIOJMUSFOOEBK-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CC(C)NC(=O)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411159232 428748883 /nfs/dbraw/zinc/74/88/83/428748883.db2.gz VOIOJMUSFOOEBK-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000374777939 428749628 /nfs/dbraw/zinc/74/96/28/428749628.db2.gz NUXMPRMFQKGVRY-NCXUSEDFSA-N 2 1 300.446 2.790 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000374777939 428749635 /nfs/dbraw/zinc/74/96/35/428749635.db2.gz NUXMPRMFQKGVRY-NCXUSEDFSA-N 2 1 300.446 2.790 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000374777939 428749641 /nfs/dbraw/zinc/74/96/41/428749641.db2.gz NUXMPRMFQKGVRY-NCXUSEDFSA-N 2 1 300.446 2.790 20 0 DFADMP C[N@@H+](CCc1ccncc1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374785372 428750503 /nfs/dbraw/zinc/75/05/03/428750503.db2.gz VLTZJLVZFCHBTB-UHFFFAOYSA-N 2 1 310.445 2.868 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2c(C)n[nH]c2C)CC1 ZINC000354078366 428850187 /nfs/dbraw/zinc/85/01/87/428850187.db2.gz QIXMZYOXZTXAIY-UHFFFAOYSA-N 2 1 322.497 2.597 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000354082997 428851941 /nfs/dbraw/zinc/85/19/41/428851941.db2.gz ASJYPKGONCAOTP-VXGQWTEUSA-N 2 1 306.454 2.731 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000354082997 428851947 /nfs/dbraw/zinc/85/19/47/428851947.db2.gz ASJYPKGONCAOTP-VXGQWTEUSA-N 2 1 306.454 2.731 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)[NH+](C)C ZINC000362806359 428806363 /nfs/dbraw/zinc/80/63/63/428806363.db2.gz NHHUAUPTOYIPCI-SJLPKXTDSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCCCC1 ZINC000411513609 428809231 /nfs/dbraw/zinc/80/92/31/428809231.db2.gz DUDZSJKDCBUMEC-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCCCC1 ZINC000411513609 428809234 /nfs/dbraw/zinc/80/92/34/428809234.db2.gz DUDZSJKDCBUMEC-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cc2[nH]c(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)cc2c(C)c1 ZINC000359085405 428811016 /nfs/dbraw/zinc/81/10/16/428811016.db2.gz SZSFQAZMVCDHIZ-QGZVFWFLSA-N 2 1 315.461 2.721 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000359089306 428813180 /nfs/dbraw/zinc/81/31/80/428813180.db2.gz YPLXNKATQQYDLA-KSZLIROESA-N 2 1 321.509 2.511 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000359089306 428813183 /nfs/dbraw/zinc/81/31/83/428813183.db2.gz YPLXNKATQQYDLA-KSZLIROESA-N 2 1 321.509 2.511 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000345259367 428818719 /nfs/dbraw/zinc/81/87/19/428818719.db2.gz SXMZPGOSPFRUNI-FCFHUKJJSA-N 2 1 314.473 2.933 20 0 DFADMP O[C@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000345259363 428819054 /nfs/dbraw/zinc/81/90/54/428819054.db2.gz SXMZPGOSPFRUNI-BGVWBIDGSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1CO ZINC000411620001 428824194 /nfs/dbraw/zinc/82/41/94/428824194.db2.gz PJIDKLZSVOEUPN-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359119209 428824579 /nfs/dbraw/zinc/82/45/79/428824579.db2.gz WWTWATKVUMOKRM-IRXDYDNUSA-N 2 1 321.509 2.630 20 0 DFADMP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359116186 428824675 /nfs/dbraw/zinc/82/46/75/428824675.db2.gz PNUKCBOIGRGMPU-AEFFLSMTSA-N 2 1 317.477 2.545 20 0 DFADMP CCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000359116186 428824681 /nfs/dbraw/zinc/82/46/81/428824681.db2.gz PNUKCBOIGRGMPU-AEFFLSMTSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000348832447 428853030 /nfs/dbraw/zinc/85/30/30/428853030.db2.gz LCSBBURWKONAPH-LRDDRELGSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000348832447 428853035 /nfs/dbraw/zinc/85/30/35/428853035.db2.gz LCSBBURWKONAPH-LRDDRELGSA-N 2 1 323.868 2.542 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H]2CCN(C)C[C@H]21 ZINC000375229831 428827522 /nfs/dbraw/zinc/82/75/22/428827522.db2.gz POYJSAVQOQAWHL-QFBILLFUSA-N 2 1 310.445 2.707 20 0 DFADMP C[C@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411655609 428833152 /nfs/dbraw/zinc/83/31/52/428833152.db2.gz LNPOOMQATMIUSQ-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C3CC(OC(C)C)C3)C2)nc(C)[nH+]1 ZINC000375286944 428841973 /nfs/dbraw/zinc/84/19/73/428841973.db2.gz LRJHIKJGTWVICJ-GTPINHCMSA-N 2 1 318.465 2.608 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C3CC(OC(C)C)C3)C2)nc(C)[nH+]1 ZINC000375286949 428843194 /nfs/dbraw/zinc/84/31/94/428843194.db2.gz LRJHIKJGTWVICJ-KLAILNCOSA-N 2 1 318.465 2.608 20 0 DFADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1cccc(Cl)c1)N(C)C ZINC000348799418 428843418 /nfs/dbraw/zinc/84/34/18/428843418.db2.gz JZGZHXIONJFISW-JKSUJKDBSA-N 2 1 323.868 2.543 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000354065519 428844928 /nfs/dbraw/zinc/84/49/28/428844928.db2.gz RBYZGEOXUKUIFB-BPQIPLTHSA-N 2 1 323.525 2.780 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359188499 428858222 /nfs/dbraw/zinc/85/82/22/428858222.db2.gz KTGPMMBEQBAXAS-FQEVSTJZSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CCC1CC[NH2+]CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359188499 428858228 /nfs/dbraw/zinc/85/82/28/428858228.db2.gz KTGPMMBEQBAXAS-FQEVSTJZSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CCC1CC[NH2+]CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359188499 428858234 /nfs/dbraw/zinc/85/82/34/428858234.db2.gz KTGPMMBEQBAXAS-FQEVSTJZSA-N 3 1 315.505 2.830 20 0 DFADMP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000359188499 428858240 /nfs/dbraw/zinc/85/82/40/428858240.db2.gz KTGPMMBEQBAXAS-FQEVSTJZSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000359188499 428858246 /nfs/dbraw/zinc/85/82/46/428858246.db2.gz KTGPMMBEQBAXAS-FQEVSTJZSA-N 2 1 315.505 2.830 20 0 DFADMP C[NH+](C)CC1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC000354091144 428858298 /nfs/dbraw/zinc/85/82/98/428858298.db2.gz IHMZMBVSYFZGEY-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)CCC1CC[NH2+]CC1 ZINC000359211865 428865965 /nfs/dbraw/zinc/86/59/65/428865965.db2.gz MXVJOLLQZDMWMZ-UHFFFAOYSA-N 2 1 324.440 2.543 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359210412 428866511 /nfs/dbraw/zinc/86/65/11/428866511.db2.gz BYWRERITNAPNPB-QGZVFWFLSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)[nH+]1 ZINC000359210412 428866520 /nfs/dbraw/zinc/86/65/20/428866520.db2.gz BYWRERITNAPNPB-QGZVFWFLSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)[nH+]1 ZINC000359210412 428866526 /nfs/dbraw/zinc/86/65/26/428866526.db2.gz BYWRERITNAPNPB-QGZVFWFLSA-N 3 1 302.466 2.514 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000417893145 428871087 /nfs/dbraw/zinc/87/10/87/428871087.db2.gz DVZLZNCQJVWEIS-QZTJIDSGSA-N 2 1 302.462 2.708 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c(C)n1 ZINC000359221445 428872344 /nfs/dbraw/zinc/87/23/44/428872344.db2.gz GQXHZXNBKBUYJC-MRXNPFEDSA-N 2 1 313.401 2.755 20 0 DFADMP COC(=O)[C@]12C[N@@H+](CC[C@@H]3CCCC[NH+]3C)C[C@H]1CCCC2 ZINC000375398205 428873987 /nfs/dbraw/zinc/87/39/87/428873987.db2.gz UPPDMQTYMBXNQI-SOLBZPMBSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@]12C[NH+](CC[C@@H]3CCCC[N@@H+]3C)C[C@H]1CCCC2 ZINC000375398205 428873990 /nfs/dbraw/zinc/87/39/90/428873990.db2.gz UPPDMQTYMBXNQI-SOLBZPMBSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@]12C[NH+](CC[C@@H]3CCCC[N@H+]3C)C[C@H]1CCCC2 ZINC000375398205 428873992 /nfs/dbraw/zinc/87/39/92/428873992.db2.gz UPPDMQTYMBXNQI-SOLBZPMBSA-N 2 1 308.466 2.526 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1cccc(Cl)c1 ZINC000359223757 428874343 /nfs/dbraw/zinc/87/43/43/428874343.db2.gz ZSUMEAMHWWRQAG-UHFFFAOYSA-N 2 1 309.841 2.600 20 0 DFADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000359229815 428877022 /nfs/dbraw/zinc/87/70/22/428877022.db2.gz ZLBSROOEQIBEPZ-KSSFIOAISA-N 2 1 306.425 2.977 20 0 DFADMP CCn1cncc1C[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000418136630 428886530 /nfs/dbraw/zinc/88/65/30/428886530.db2.gz CASODFLIWVBXQH-HNNXBMFYSA-N 2 1 300.406 2.650 20 0 DFADMP CCn1cncc1CN1CCC[C@H]1COc1cccnc1C ZINC000418136630 428886535 /nfs/dbraw/zinc/88/65/35/428886535.db2.gz CASODFLIWVBXQH-HNNXBMFYSA-N 2 1 300.406 2.650 20 0 DFADMP C[NH+](C)[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000348965230 428888894 /nfs/dbraw/zinc/88/88/94/428888894.db2.gz LSFBHKIBONYQTB-GOSISDBHSA-N 2 1 303.494 2.781 20 0 DFADMP C[N@H+]1CCC[C@@]2(CCN(Cc3cc(-c4ccccc4)n[nH]3)C2)C1 ZINC000354165423 428893896 /nfs/dbraw/zinc/89/38/96/428893896.db2.gz GHYCXXBLEQHHEB-LJQANCHMSA-N 2 1 310.445 2.994 20 0 DFADMP CCOC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000363437842 428913938 /nfs/dbraw/zinc/91/39/38/428913938.db2.gz YATTUCATZAMFKV-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP CCOC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000363437842 428913945 /nfs/dbraw/zinc/91/39/45/428913945.db2.gz YATTUCATZAMFKV-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP CCOC(=O)CC[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000363437842 428913950 /nfs/dbraw/zinc/91/39/50/428913950.db2.gz YATTUCATZAMFKV-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP CCOC(=O)CC[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000363437842 428913953 /nfs/dbraw/zinc/91/39/53/428913953.db2.gz YATTUCATZAMFKV-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363444817 428917709 /nfs/dbraw/zinc/91/77/09/428917709.db2.gz XMIMVBSYBYITJW-JKSUJKDBSA-N 2 1 304.482 2.971 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363444817 428917714 /nfs/dbraw/zinc/91/77/14/428917714.db2.gz XMIMVBSYBYITJW-JKSUJKDBSA-N 2 1 304.482 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212006 428918624 /nfs/dbraw/zinc/91/86/24/428918624.db2.gz ZBHBPSCQTJEIRJ-RDJZCZTQSA-N 2 1 303.450 2.820 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212006 428918629 /nfs/dbraw/zinc/91/86/29/428918629.db2.gz ZBHBPSCQTJEIRJ-RDJZCZTQSA-N 2 1 303.450 2.820 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212006 428918634 /nfs/dbraw/zinc/91/86/34/428918634.db2.gz ZBHBPSCQTJEIRJ-RDJZCZTQSA-N 2 1 303.450 2.820 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226425 428927067 /nfs/dbraw/zinc/92/70/67/428927067.db2.gz WCGLDQXVOHYUMX-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP CCCn1cc(C[N@H+](C)CCCc2[nH+]ccn2CCC)cn1 ZINC000349193617 428936385 /nfs/dbraw/zinc/93/63/85/428936385.db2.gz QHISRKHNNIRQGS-UHFFFAOYSA-N 2 1 303.454 2.964 20 0 DFADMP CCCn1cc(C[N@@H+](C)CCCc2[nH+]ccn2CCC)cn1 ZINC000349193617 428936392 /nfs/dbraw/zinc/93/63/92/428936392.db2.gz QHISRKHNNIRQGS-UHFFFAOYSA-N 2 1 303.454 2.964 20 0 DFADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363538179 428938142 /nfs/dbraw/zinc/93/81/42/428938142.db2.gz NZCTULLHXOHXOO-FQBWVUSXSA-N 2 1 324.509 2.527 20 0 DFADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363538180 428938237 /nfs/dbraw/zinc/93/82/37/428938237.db2.gz NZCTULLHXOHXOO-NNIGNNQHSA-N 2 1 324.509 2.527 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000359392443 428951726 /nfs/dbraw/zinc/95/17/26/428951726.db2.gz OKJIBELMEXALSF-DBVUQKKJSA-N 2 1 315.505 2.827 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000359392443 428951729 /nfs/dbraw/zinc/95/17/29/428951729.db2.gz OKJIBELMEXALSF-DBVUQKKJSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000359392443 428951731 /nfs/dbraw/zinc/95/17/31/428951731.db2.gz OKJIBELMEXALSF-DBVUQKKJSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000359392443 428951735 /nfs/dbraw/zinc/95/17/35/428951735.db2.gz OKJIBELMEXALSF-DBVUQKKJSA-N 2 1 315.505 2.827 20 0 DFADMP c1cc(-c2ccc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755795 428962941 /nfs/dbraw/zinc/96/29/41/428962941.db2.gz GADNDIGNTUHKBH-KMFMINBZSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755795 428962947 /nfs/dbraw/zinc/96/29/47/428962947.db2.gz GADNDIGNTUHKBH-KMFMINBZSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755795 428962950 /nfs/dbraw/zinc/96/29/50/428962950.db2.gz GADNDIGNTUHKBH-KMFMINBZSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755795 428962955 /nfs/dbraw/zinc/96/29/55/428962955.db2.gz GADNDIGNTUHKBH-KMFMINBZSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755795 428962960 /nfs/dbraw/zinc/96/29/60/428962960.db2.gz GADNDIGNTUHKBH-KMFMINBZSA-N 2 1 312.417 2.586 20 0 DFADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCOC(C)(C)C)CCCN2C)cn1 ZINC000375774382 428967192 /nfs/dbraw/zinc/96/71/92/428967192.db2.gz BPNXJEAMLOWKLC-DOTOQJQBSA-N 2 1 322.497 2.550 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C2CCCCC2)cc1 ZINC000423768287 429014938 /nfs/dbraw/zinc/01/49/38/429014938.db2.gz XANXUIWGPBPXCR-SFHVURJKSA-N 2 1 317.477 2.718 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000375907432 429014981 /nfs/dbraw/zinc/01/49/81/429014981.db2.gz SCGAJTMHDQSNGA-SFHVURJKSA-N 2 1 321.896 2.940 20 0 DFADMP Cc1ccc2[nH]c(C[NH2+]CCC[NH+]3CCC(O)CC3)cc2c1C ZINC000349627370 429015406 /nfs/dbraw/zinc/01/54/06/429015406.db2.gz CMTQQOSMOSLACV-UHFFFAOYSA-N 2 1 315.461 2.721 20 0 DFADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCCOC1 ZINC000354889289 429017602 /nfs/dbraw/zinc/01/76/02/429017602.db2.gz YWAZAVVHEIUOKZ-QGZVFWFLSA-N 2 1 303.450 2.656 20 0 DFADMP C[NH+](C)[C@H](CC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000433343966 429025893 /nfs/dbraw/zinc/02/58/93/429025893.db2.gz PSGPKOUSMSGTED-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360863 428973056 /nfs/dbraw/zinc/97/30/56/428973056.db2.gz AYZLCGKHYWZHJV-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360863 428973062 /nfs/dbraw/zinc/97/30/62/428973062.db2.gz AYZLCGKHYWZHJV-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360863 428973067 /nfs/dbraw/zinc/97/30/67/428973067.db2.gz AYZLCGKHYWZHJV-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360863 428973072 /nfs/dbraw/zinc/97/30/72/428973072.db2.gz AYZLCGKHYWZHJV-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375807449 428981188 /nfs/dbraw/zinc/98/11/88/428981188.db2.gz BPRRKQRSKLHUME-JKSUJKDBSA-N 2 1 320.481 2.948 20 0 DFADMP CCCCNC(=O)[C@H](C)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375807449 428981196 /nfs/dbraw/zinc/98/11/96/428981196.db2.gz BPRRKQRSKLHUME-JKSUJKDBSA-N 2 1 320.481 2.948 20 0 DFADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375807448 428981472 /nfs/dbraw/zinc/98/14/72/428981472.db2.gz BPRRKQRSKLHUME-HZPDHXFCSA-N 2 1 320.481 2.948 20 0 DFADMP CCCCNC(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375807448 428981477 /nfs/dbraw/zinc/98/14/77/428981477.db2.gz BPRRKQRSKLHUME-HZPDHXFCSA-N 2 1 320.481 2.948 20 0 DFADMP CC(C)NC(=O)CC[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375815962 428983919 /nfs/dbraw/zinc/98/39/19/428983919.db2.gz RDMNMMULXHKZFE-OAHLLOKOSA-N 2 1 306.454 2.558 20 0 DFADMP Cc1ccsc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000349421731 428984739 /nfs/dbraw/zinc/98/47/39/428984739.db2.gz TXLMKIRIXCYOFY-SJPCQFCGSA-N 2 1 319.518 2.799 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)CC[N@H+]1C ZINC000433086006 428994176 /nfs/dbraw/zinc/99/41/76/428994176.db2.gz YGLACKUWKDMPPC-ZTRSQXPZSA-N 2 1 302.462 2.615 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@H]2CCC[C@H]21 ZINC000375850737 428996774 /nfs/dbraw/zinc/99/67/74/428996774.db2.gz JZKOYTKTUVTRGH-HSALFYBXSA-N 2 1 324.472 2.894 20 0 DFADMP CC[C@@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000423696641 428998279 /nfs/dbraw/zinc/99/82/79/428998279.db2.gz IHQCRGTVSQPSRY-MSOLQXFVSA-N 2 1 317.477 2.545 20 0 DFADMP CC[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000423696644 428998372 /nfs/dbraw/zinc/99/83/72/428998372.db2.gz IHQCRGTVSQPSRY-ROUUACIJSA-N 2 1 317.477 2.545 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000375888800 429007048 /nfs/dbraw/zinc/00/70/48/429007048.db2.gz MWDTWYXUTHOONR-HSALFYBXSA-N 2 1 324.472 2.877 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000375905724 429012936 /nfs/dbraw/zinc/01/29/36/429012936.db2.gz NSDMIGJLRWCGHY-SJORKVTESA-N 2 1 319.468 2.987 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423768693 429013814 /nfs/dbraw/zinc/01/38/14/429013814.db2.gz FOSQBEBWUQWCDM-ZMSDIMECSA-N 2 1 305.466 2.559 20 0 DFADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423457158 429090932 /nfs/dbraw/zinc/09/09/32/429090932.db2.gz FNSSKCKTIVSCIH-UBJUHAIHSA-N 2 1 301.203 2.901 20 0 DFADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000434499349 429092421 /nfs/dbraw/zinc/09/24/21/429092421.db2.gz YAGRMQUDUNMJSO-MOPGFXCFSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000434499349 429092425 /nfs/dbraw/zinc/09/24/25/429092425.db2.gz YAGRMQUDUNMJSO-MOPGFXCFSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC[C@@H]2CCCCO2)C1 ZINC000434499349 429092431 /nfs/dbraw/zinc/09/24/31/429092431.db2.gz YAGRMQUDUNMJSO-MOPGFXCFSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC[C@@H]2CCCCO2)C1 ZINC000434499349 429092433 /nfs/dbraw/zinc/09/24/33/429092433.db2.gz YAGRMQUDUNMJSO-MOPGFXCFSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC[C@@H]2CCCCO2)C1 ZINC000434499349 429092436 /nfs/dbraw/zinc/09/24/36/429092436.db2.gz YAGRMQUDUNMJSO-MOPGFXCFSA-N 2 1 317.477 2.795 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(OC)c1 ZINC000423464072 429092442 /nfs/dbraw/zinc/09/24/42/429092442.db2.gz BCPDUKOMHYUNIM-NWDGAFQWSA-N 2 1 314.376 2.599 20 0 DFADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2cnoc2C)C1 ZINC000434498166 429092514 /nfs/dbraw/zinc/09/25/14/429092514.db2.gz HNQSWYFAGZYQAC-CQSZACIVSA-N 2 1 320.462 2.702 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC000434498166 429092517 /nfs/dbraw/zinc/09/25/17/429092517.db2.gz HNQSWYFAGZYQAC-CQSZACIVSA-N 2 1 320.462 2.702 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC000434498166 429092519 /nfs/dbraw/zinc/09/25/19/429092519.db2.gz HNQSWYFAGZYQAC-CQSZACIVSA-N 2 1 320.462 2.702 20 0 DFADMP CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423471680 429092856 /nfs/dbraw/zinc/09/28/56/429092856.db2.gz PVDULXPOVAPDHH-YDZRNGNQSA-N 2 1 301.478 2.614 20 0 DFADMP Cc1nn(C(C)C)cc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000375992067 429037077 /nfs/dbraw/zinc/03/70/77/429037077.db2.gz CWJNGJDBQYWXKV-UHFFFAOYSA-N 2 1 315.465 2.961 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000376063157 429051510 /nfs/dbraw/zinc/05/15/10/429051510.db2.gz XZLJNIBBYZUUKM-BBWFWOEESA-N 2 1 317.433 2.827 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Br)c(F)c1 ZINC000423278737 429055416 /nfs/dbraw/zinc/05/54/16/429055416.db2.gz QMTKXTICWNYETF-ISVAXAHUSA-N 2 1 301.203 2.976 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H](C)C[NH3+])c(Br)c1 ZINC000423313277 429062770 /nfs/dbraw/zinc/06/27/70/429062770.db2.gz WURFGVIMTJVZRU-UWVGGRQHSA-N 2 1 301.228 2.703 20 0 DFADMP COCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423329398 429065093 /nfs/dbraw/zinc/06/50/93/429065093.db2.gz LLXGAXDWYRGXPX-WBAXXEDZSA-N 2 1 306.450 2.545 20 0 DFADMP C[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000423343724 429069185 /nfs/dbraw/zinc/06/91/85/429069185.db2.gz XDKJXSABGZSVPN-BFYDXBDKSA-N 2 1 309.498 2.521 20 0 DFADMP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423345970 429069483 /nfs/dbraw/zinc/06/94/83/429069483.db2.gz PHHUIOJWZCCVQX-ZANVPECISA-N 2 1 313.214 2.775 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000423345280 429069821 /nfs/dbraw/zinc/06/98/21/429069821.db2.gz YNTMWWGCWOJWIX-SJCJKPOMSA-N 2 1 310.413 2.883 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCCO2 ZINC000423351387 429070167 /nfs/dbraw/zinc/07/01/67/429070167.db2.gz ZAHBLONKRDIELT-WMZOPIPTSA-N 2 1 304.434 2.888 20 0 DFADMP COc1ccc(C[C@@H]([NH2+][C@@H](C)C[NH3+])c2ccc(OC)cc2)cc1 ZINC000423363465 429071818 /nfs/dbraw/zinc/07/18/18/429071818.db2.gz JARFNIDYONEEKV-IFXJQAMLSA-N 2 1 314.429 2.924 20 0 DFADMP COc1cc([C@@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(F)cn1 ZINC000423370957 429073564 /nfs/dbraw/zinc/07/35/64/429073564.db2.gz GDSMWKDJFPTRAW-LLVKDONJSA-N 2 1 301.365 2.683 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366786 429074833 /nfs/dbraw/zinc/07/48/33/429074833.db2.gz QJOUDSOKEZIOKR-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366786 429074835 /nfs/dbraw/zinc/07/48/35/429074835.db2.gz QJOUDSOKEZIOKR-QXAKKESOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366786 429074840 /nfs/dbraw/zinc/07/48/40/429074840.db2.gz QJOUDSOKEZIOKR-QXAKKESOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366786 429074844 /nfs/dbraw/zinc/07/48/44/429074844.db2.gz QJOUDSOKEZIOKR-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423373952 429076154 /nfs/dbraw/zinc/07/61/54/429076154.db2.gz WVEHAAIDRGJUSM-DUVNUKRYSA-N 2 1 306.450 2.531 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423481207 429097387 /nfs/dbraw/zinc/09/73/87/429097387.db2.gz QBMSBJJLOFDMSD-FZMZJTMJSA-N 2 1 314.351 2.874 20 0 DFADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423377556 429077958 /nfs/dbraw/zinc/07/79/58/429077958.db2.gz YYMOEZAFNKARKE-CRAIPNDOSA-N 2 1 310.445 2.981 20 0 DFADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424144299 429097920 /nfs/dbraw/zinc/09/79/20/429097920.db2.gz XDFFDRIIBUYCKN-IRXDYDNUSA-N 2 1 309.498 2.665 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1)C1CC1 ZINC000424047807 429081497 /nfs/dbraw/zinc/08/14/97/429081497.db2.gz XGPLKVGUPORYFQ-RDTXWAMCSA-N 2 1 315.461 2.541 20 0 DFADMP COC[C@]1(C[NH2+][C@H](COCc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423412866 429084158 /nfs/dbraw/zinc/08/41/58/429084158.db2.gz IXEWKGIXBLRKLE-RTBURBONSA-N 2 1 320.477 2.586 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccnn1C ZINC000423483731 429097571 /nfs/dbraw/zinc/09/75/71/429097571.db2.gz ZBGQLUMEGLEXKT-JLJPHGGASA-N 2 1 316.424 2.603 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000423424655 429084913 /nfs/dbraw/zinc/08/49/13/429084913.db2.gz NGURVHAGXQIFHM-OIISXLGYSA-N 2 1 317.477 2.654 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(Br)c21 ZINC000423433110 429086863 /nfs/dbraw/zinc/08/68/63/429086863.db2.gz MVZWLXAPXSJOLJ-QVJQUZPHSA-N 2 1 307.235 2.805 20 0 DFADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423433445 429087418 /nfs/dbraw/zinc/08/74/18/429087418.db2.gz CJRIWNDCFOBOFA-PLOWYNNNSA-N 2 1 301.478 2.612 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423449036 429088538 /nfs/dbraw/zinc/08/85/38/429088538.db2.gz VVTNKBQPIHAZQY-DAXOMENPSA-N 2 1 303.450 2.801 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423449036 429088542 /nfs/dbraw/zinc/08/85/42/429088542.db2.gz VVTNKBQPIHAZQY-DAXOMENPSA-N 2 1 303.450 2.801 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]C[C@@H]3CCSC3)CCCC2)CC1 ZINC000487298168 429147455 /nfs/dbraw/zinc/14/74/55/429147455.db2.gz LWOYXBPBNXJNSR-HNNXBMFYSA-N 2 1 312.523 2.753 20 0 DFADMP O=C([C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000363997624 429155451 /nfs/dbraw/zinc/15/54/51/429155451.db2.gz KLGRLSZSBIADTC-GOSISDBHSA-N 2 1 321.509 2.587 20 0 DFADMP c1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)cc1 ZINC000423499895 429101779 /nfs/dbraw/zinc/10/17/79/429101779.db2.gz BOPMPILBZASJNV-MHJFOBGBSA-N 2 1 313.489 2.944 20 0 DFADMP C[C@H](c1cccc(N2CCOCC2)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423506193 429101871 /nfs/dbraw/zinc/10/18/71/429101871.db2.gz HUVQWXSGUVFMTQ-GPMSIDNRSA-N 2 1 317.477 2.501 20 0 DFADMP COc1cc(C)c([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423504654 429102111 /nfs/dbraw/zinc/10/21/11/429102111.db2.gz GBRBWDJFGXXBCJ-HBUWYVDXSA-N 2 1 306.450 2.990 20 0 DFADMP c1ccc(C[C@H]([NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423511934 429103622 /nfs/dbraw/zinc/10/36/22/429103622.db2.gz KPTTVVKZQWEETJ-PMACEKPBSA-N 2 1 310.441 2.939 20 0 DFADMP C[C@@H]1C[N@H+](C2CCN(c3ccc(F)cc3F)CC2)C[C@@]1(C)C[NH3+] ZINC000423508938 429103701 /nfs/dbraw/zinc/10/37/01/429103701.db2.gz LRICUPYIPMMGGY-FZKQIMNGSA-N 2 1 323.431 2.850 20 0 DFADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423511036 429103785 /nfs/dbraw/zinc/10/37/85/429103785.db2.gz NBKJDIMFIWJOOP-JFIBYHEFSA-N 2 1 317.452 2.619 20 0 DFADMP COc1cc(F)c([C@@H](C)[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423512924 429104661 /nfs/dbraw/zinc/10/46/61/429104661.db2.gz QTQYRTNRFKHFQO-PSTGCABASA-N 2 1 310.413 2.821 20 0 DFADMP COc1cc(F)c([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423512924 429104664 /nfs/dbraw/zinc/10/46/64/429104664.db2.gz QTQYRTNRFKHFQO-PSTGCABASA-N 2 1 310.413 2.821 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423508592 429104707 /nfs/dbraw/zinc/10/47/07/429104707.db2.gz KWWKRBYTFFGKFU-QLOJAFMTSA-N 2 1 313.489 2.870 20 0 DFADMP c1[nH+]c(C2CCN(CC[NH+]3CCCCC3)CC2)n2c1CCCC2 ZINC000434675478 429105055 /nfs/dbraw/zinc/10/50/55/429105055.db2.gz ZGMUGGWKCIVZIE-UHFFFAOYSA-N 2 1 316.493 2.885 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cs1 ZINC000423518467 429105603 /nfs/dbraw/zinc/10/56/03/429105603.db2.gz ZQPSJSNZLVSNPW-ODIFPOPNSA-N 2 1 307.507 2.924 20 0 DFADMP CC[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cnn(C)c1 ZINC000423519685 429106842 /nfs/dbraw/zinc/10/68/42/429106842.db2.gz DLODBLSFYPEADH-BLKUPOTMSA-N 2 1 302.466 2.614 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@H]1Oc1ccccc1 ZINC000423516425 429107161 /nfs/dbraw/zinc/10/71/61/429107161.db2.gz WVLCWBKHQCYFLT-WSIUPNEHSA-N 2 1 318.461 2.528 20 0 DFADMP CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424195001 429109020 /nfs/dbraw/zinc/10/90/20/429109020.db2.gz YJZZSEMGSUOIJK-HUUCEWRRSA-N 2 1 310.482 2.961 20 0 DFADMP CCCCOCC[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000434737935 429109830 /nfs/dbraw/zinc/10/98/30/429109830.db2.gz PMTKSOFUHUGYSP-FUHWJXTLSA-N 2 1 322.497 2.552 20 0 DFADMP C[N@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCC[C@@H]21 ZINC000423531777 429111141 /nfs/dbraw/zinc/11/11/41/429111141.db2.gz UFDLOLHKEGXRHI-WMXMQJIWSA-N 2 1 317.521 2.602 20 0 DFADMP COC(=O)CC1CC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000424277585 429117506 /nfs/dbraw/zinc/11/75/06/429117506.db2.gz HATDXZAHLKMOSY-CIDNJEQPSA-N 2 1 308.466 2.571 20 0 DFADMP C[C@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1Cl)CC[NH2+]CC2 ZINC000424286050 429119875 /nfs/dbraw/zinc/11/98/75/429119875.db2.gz GUWIIBZZBMNDPV-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1Cl)CC[NH2+]CC2 ZINC000424286050 429119878 /nfs/dbraw/zinc/11/98/78/429119878.db2.gz GUWIIBZZBMNDPV-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424288589 429120941 /nfs/dbraw/zinc/12/09/41/429120941.db2.gz KSJYTGQKPNMFSA-OAHLLOKOSA-N 2 1 315.461 2.652 20 0 DFADMP CO[C@@H](C)c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cs1 ZINC000424292954 429121336 /nfs/dbraw/zinc/12/13/36/429121336.db2.gz OYTZEJKIGLVFTM-OLZOCXBDSA-N 2 1 309.479 2.815 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300562 429123136 /nfs/dbraw/zinc/12/31/36/429123136.db2.gz WSXGMSYABDJARH-KRWDZBQOSA-N 2 1 323.525 2.879 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000424301077 429123147 /nfs/dbraw/zinc/12/31/47/429123147.db2.gz WWVPOPJCSOKWPB-KZNAEPCWSA-N 2 1 304.434 2.604 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](C[C@H](O)Cc1cccc(Cl)c1)CC2 ZINC000376512895 429125322 /nfs/dbraw/zinc/12/53/22/429125322.db2.gz CEXZMWSYGGYHQW-QGZVFWFLSA-N 2 1 322.880 2.804 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](C[C@H](O)Cc1cccc(Cl)c1)CC2 ZINC000376512895 429125327 /nfs/dbraw/zinc/12/53/27/429125327.db2.gz CEXZMWSYGGYHQW-QGZVFWFLSA-N 2 1 322.880 2.804 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000376515811 429126394 /nfs/dbraw/zinc/12/63/94/429126394.db2.gz VAZSEXKSHDRGKH-MRXNPFEDSA-N 2 1 310.482 2.774 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000424340689 429130044 /nfs/dbraw/zinc/13/00/44/429130044.db2.gz YRENGKROGZJTQH-ZIAGYGMSSA-N 2 1 320.824 2.792 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369885 429133321 /nfs/dbraw/zinc/13/33/21/429133321.db2.gz GKAYJBGRKCZYNY-GDBMZVCRSA-N 2 1 308.441 2.944 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494642831 429133993 /nfs/dbraw/zinc/13/39/93/429133993.db2.gz KYSXHGFRFUOMES-CVEARBPZSA-N 2 1 309.498 2.535 20 0 DFADMP COc1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc(OC)c1 ZINC000424383814 429134144 /nfs/dbraw/zinc/13/41/44/429134144.db2.gz UOOBJOFIIDDUFA-CQSZACIVSA-N 2 1 304.434 2.668 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424384195 429134215 /nfs/dbraw/zinc/13/42/15/429134215.db2.gz UXEZVOJKQOZTNB-AWEZNQCLSA-N 2 1 304.482 2.509 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374388 429135240 /nfs/dbraw/zinc/13/52/40/429135240.db2.gz XBYPAMMJTSUMQY-WBVHZDCISA-N 2 1 311.429 2.830 20 0 DFADMP CC[N@H+](Cc1cccc2c1OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435388319 429136367 /nfs/dbraw/zinc/13/63/67/429136367.db2.gz FBBSXESOKKLTAN-MRXNPFEDSA-N 2 1 304.434 2.812 20 0 DFADMP CC[N@@H+](Cc1cccc2c1OCCCO2)[C@@H]1CCC[NH2+]CC1 ZINC000435388319 429136373 /nfs/dbraw/zinc/13/63/73/429136373.db2.gz FBBSXESOKKLTAN-MRXNPFEDSA-N 2 1 304.434 2.812 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]12 ZINC000435387559 429136888 /nfs/dbraw/zinc/13/68/88/429136888.db2.gz APZTYBUKGSIDDK-NZSAHSFTSA-N 2 1 323.440 2.830 20 0 DFADMP CCC[C@H](C)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431430 429142574 /nfs/dbraw/zinc/14/25/74/429142574.db2.gz IMBHZUHOFABPCM-JKSUJKDBSA-N 2 1 304.482 2.800 20 0 DFADMP Cc1ncsc1C[N@H+](CCCOC(C)C)C[C@H]1CC[NH2+]C1 ZINC000435739128 429160361 /nfs/dbraw/zinc/16/03/61/429160361.db2.gz VTCWDMKGEMOFEP-HNNXBMFYSA-N 2 1 311.495 2.678 20 0 DFADMP Cc1ncsc1C[N@@H+](CCCOC(C)C)C[C@H]1CC[NH2+]C1 ZINC000435739128 429160366 /nfs/dbraw/zinc/16/03/66/429160366.db2.gz VTCWDMKGEMOFEP-HNNXBMFYSA-N 2 1 311.495 2.678 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)CC1 ZINC000494889138 429162041 /nfs/dbraw/zinc/16/20/41/429162041.db2.gz JTNYENJDFVYVIX-ABSDTBQOSA-N 2 1 315.505 2.958 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494930902 429165042 /nfs/dbraw/zinc/16/50/42/429165042.db2.gz NEMQCCUFWFVNNF-QGZVFWFLSA-N 2 1 314.539 2.810 20 0 DFADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000435875775 429168729 /nfs/dbraw/zinc/16/87/29/429168729.db2.gz UTYNTOVPGQTOGW-AWEZNQCLSA-N 2 1 318.396 2.665 20 0 DFADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@H]2C)c1 ZINC000495060137 429175797 /nfs/dbraw/zinc/17/57/97/429175797.db2.gz QCMKNQNZNVCZOR-GPMSIDNRSA-N 2 1 320.477 2.778 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)C1 ZINC000436279137 429193069 /nfs/dbraw/zinc/19/30/69/429193069.db2.gz ALONRBXWFYVFIS-HKUYNNGSSA-N 2 1 302.462 2.746 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)C1 ZINC000436279137 429193072 /nfs/dbraw/zinc/19/30/72/429193072.db2.gz ALONRBXWFYVFIS-HKUYNNGSSA-N 2 1 302.462 2.746 20 0 DFADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CC3CCCCCC3)C2)CC1 ZINC000364371858 429193511 /nfs/dbraw/zinc/19/35/11/429193511.db2.gz IRIYNFAYPBZDFV-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP Brc1ccc2c(c1)CC[N@H+](CC1CC[NH2+]CC1)C2 ZINC000261823208 275370693 /nfs/dbraw/zinc/37/06/93/275370693.db2.gz IOLKIDFYXXTMPG-UHFFFAOYSA-N 2 1 309.251 2.807 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CCN3CCC2CC3)cc1 ZINC000364488455 429213060 /nfs/dbraw/zinc/21/30/60/429213060.db2.gz BWYHQTLGIFAPAF-UHFFFAOYSA-N 2 1 314.351 2.908 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1CC ZINC000489049290 429215389 /nfs/dbraw/zinc/21/53/89/429215389.db2.gz XYHZOZGETSEDEP-QZTJIDSGSA-N 2 1 323.525 2.974 20 0 DFADMP CC(C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000455899073 429222924 /nfs/dbraw/zinc/22/29/24/429222924.db2.gz FLNPIFULZIRNHU-KRWDZBQOSA-N 2 1 318.465 2.697 20 0 DFADMP COC(CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)OC ZINC000364578440 429227265 /nfs/dbraw/zinc/22/72/65/429227265.db2.gz KWMXTYVLUOJTGO-IBGZPJMESA-N 2 1 318.461 2.593 20 0 DFADMP COC(C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)OC ZINC000364578440 429227270 /nfs/dbraw/zinc/22/72/70/429227270.db2.gz KWMXTYVLUOJTGO-IBGZPJMESA-N 2 1 318.461 2.593 20 0 DFADMP COC(C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2)OC ZINC000364578440 429227274 /nfs/dbraw/zinc/22/72/74/429227274.db2.gz KWMXTYVLUOJTGO-IBGZPJMESA-N 2 1 318.461 2.593 20 0 DFADMP CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000364591021 429230798 /nfs/dbraw/zinc/23/07/98/429230798.db2.gz LGNVWQGVVKQOBK-ROUUACIJSA-N 2 1 321.509 2.728 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495311101 429197576 /nfs/dbraw/zinc/19/75/76/429197576.db2.gz BFJUGQQFTDOKHG-CQSZACIVSA-N 2 1 313.486 2.563 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495311101 429197580 /nfs/dbraw/zinc/19/75/80/429197580.db2.gz BFJUGQQFTDOKHG-CQSZACIVSA-N 2 1 313.486 2.563 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495311101 429197583 /nfs/dbraw/zinc/19/75/83/429197583.db2.gz BFJUGQQFTDOKHG-CQSZACIVSA-N 2 1 313.486 2.563 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495311101 429197584 /nfs/dbraw/zinc/19/75/84/429197584.db2.gz BFJUGQQFTDOKHG-CQSZACIVSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000442767304 429234287 /nfs/dbraw/zinc/23/42/87/429234287.db2.gz YFVWBYJEJGOKSX-VXGBXAGGSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767321 429234992 /nfs/dbraw/zinc/23/49/92/429234992.db2.gz YJTNDEOVZWVLPP-NEPJUHHUSA-N 2 1 320.824 2.602 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364640584 429240243 /nfs/dbraw/zinc/24/02/43/429240243.db2.gz XITZGXUMHVGJHS-INIZCTEOSA-N 2 1 319.468 2.734 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442925053 429240739 /nfs/dbraw/zinc/24/07/39/429240739.db2.gz TWYISKIOIMTCMR-GFCCVEGCSA-N 2 1 312.841 2.918 20 0 DFADMP Cc1ccc(C(=O)CC[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364669375 429246560 /nfs/dbraw/zinc/24/65/60/429246560.db2.gz DEFYMDNDRKQFSA-MRXNPFEDSA-N 2 1 311.429 2.959 20 0 DFADMP Cc1ccc(C(=O)CC[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364669375 429246562 /nfs/dbraw/zinc/24/65/62/429246562.db2.gz DEFYMDNDRKQFSA-MRXNPFEDSA-N 2 1 311.429 2.959 20 0 DFADMP CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCCn1ccnc1C ZINC000495709047 429249723 /nfs/dbraw/zinc/24/97/23/429249723.db2.gz YGJIUMMUGWLOJK-MRXNPFEDSA-N 2 1 322.453 2.572 20 0 DFADMP CCCNC(=O)OC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000495709047 429249733 /nfs/dbraw/zinc/24/97/33/429249733.db2.gz YGJIUMMUGWLOJK-MRXNPFEDSA-N 2 1 322.453 2.572 20 0 DFADMP CCn1ccnc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000456364238 429288865 /nfs/dbraw/zinc/28/88/65/429288865.db2.gz VDQXCVGSJJVVMV-GJZGRUSLSA-N 2 1 314.433 2.601 20 0 DFADMP CCn1ccnc1[C@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000456364238 429288869 /nfs/dbraw/zinc/28/88/69/429288869.db2.gz VDQXCVGSJJVVMV-GJZGRUSLSA-N 2 1 314.433 2.601 20 0 DFADMP CS[C@H]1CC[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000425340656 429268889 /nfs/dbraw/zinc/26/88/89/429268889.db2.gz FELOVSDTGUOTOU-CABCVRRESA-N 2 1 306.479 2.546 20 0 DFADMP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000456305340 429272728 /nfs/dbraw/zinc/27/27/28/429272728.db2.gz HXPAYKUHNRLFGX-YEWWUXTCSA-N 2 1 315.461 2.904 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCC[N@H+]3C3CC3)ccc21 ZINC000456314419 429274617 /nfs/dbraw/zinc/27/46/17/429274617.db2.gz LSNRSQAWNVMHBH-ROUUACIJSA-N 2 1 313.445 2.801 20 0 DFADMP CS[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000425359326 429276950 /nfs/dbraw/zinc/27/69/50/429276950.db2.gz PQAUPMUUDJBUBP-SJORKVTESA-N 2 1 306.475 2.502 20 0 DFADMP C[C@@H]1C[N@H+](CCCCNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000490137773 429280874 /nfs/dbraw/zinc/28/08/74/429280874.db2.gz BLSOTRRNLMXGQT-IYBDPMFKSA-N 2 1 313.445 2.958 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000449161462 429347587 /nfs/dbraw/zinc/34/75/87/429347587.db2.gz FQSCSRAPJOZFIL-RBUKOAKNSA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000449161462 429347590 /nfs/dbraw/zinc/34/75/90/429347590.db2.gz FQSCSRAPJOZFIL-RBUKOAKNSA-N 2 1 302.462 2.792 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000449106750 429333592 /nfs/dbraw/zinc/33/35/92/429333592.db2.gz JKFIUEQAMOGMSD-AEFFLSMTSA-N 2 1 317.477 2.545 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365547646 429338989 /nfs/dbraw/zinc/33/89/89/429338989.db2.gz DFFNOGAXKOHRDR-OAHLLOKOSA-N 2 1 315.465 2.804 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000365562245 429342677 /nfs/dbraw/zinc/34/26/77/429342677.db2.gz ZYTUPNUPQBSATO-LBPRGKRZSA-N 2 1 304.463 2.989 20 0 DFADMP C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425431042 429295831 /nfs/dbraw/zinc/29/58/31/429295831.db2.gz GYVOCYXGHPLTEX-UXLLHSPISA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425431042 429295832 /nfs/dbraw/zinc/29/58/32/429295832.db2.gz GYVOCYXGHPLTEX-UXLLHSPISA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425431042 429295836 /nfs/dbraw/zinc/29/58/36/429295836.db2.gz GYVOCYXGHPLTEX-UXLLHSPISA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000425435244 429296251 /nfs/dbraw/zinc/29/62/51/429296251.db2.gz RULDFLQLFMDPOL-POAQFYNOSA-N 2 1 316.489 2.833 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445728 429299207 /nfs/dbraw/zinc/29/92/07/429299207.db2.gz NENJHMKBACBGRK-IBGZPJMESA-N 2 1 308.429 2.671 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445728 429299212 /nfs/dbraw/zinc/29/92/12/429299212.db2.gz NENJHMKBACBGRK-IBGZPJMESA-N 2 1 308.429 2.671 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445728 429299215 /nfs/dbraw/zinc/29/92/15/429299215.db2.gz NENJHMKBACBGRK-IBGZPJMESA-N 2 1 308.429 2.671 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445728 429299219 /nfs/dbraw/zinc/29/92/19/429299219.db2.gz NENJHMKBACBGRK-IBGZPJMESA-N 2 1 308.429 2.671 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445728 429299224 /nfs/dbraw/zinc/29/92/24/429299224.db2.gz NENJHMKBACBGRK-IBGZPJMESA-N 2 1 308.429 2.671 20 0 DFADMP CO[C@@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000425469738 429303493 /nfs/dbraw/zinc/30/34/93/429303493.db2.gz FCDVPZQZPFWQTG-KRWDZBQOSA-N 2 1 303.450 2.824 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490898547 429312700 /nfs/dbraw/zinc/31/27/00/429312700.db2.gz ICVDMVIJKGSRKW-HXUWFJFHSA-N 2 1 316.489 2.892 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000365409544 429316120 /nfs/dbraw/zinc/31/61/20/429316120.db2.gz JPKWNIIOLMUDEI-UHFFFAOYSA-N 2 1 318.465 2.530 20 0 DFADMP Cc1ccc(C)c(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000517650978 429391837 /nfs/dbraw/zinc/39/18/37/429391837.db2.gz YSSIJAYSBMCMDI-UHFFFAOYSA-N 2 1 324.428 2.703 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449337660 429393231 /nfs/dbraw/zinc/39/32/31/429393231.db2.gz QQRXFOGSTLLTFS-TWMKSMIVSA-N 2 1 323.525 2.767 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449347686 429393986 /nfs/dbraw/zinc/39/39/86/429393986.db2.gz DGQPRBAXRDDTFQ-IKGGRYGDSA-N 2 1 323.525 2.911 20 0 DFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C(=O)C(C)(C)C ZINC000365913438 429401716 /nfs/dbraw/zinc/40/17/16/429401716.db2.gz YOEHMIBQPGEIQK-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457118438 429407807 /nfs/dbraw/zinc/40/78/07/429407807.db2.gz MWXORQKRXUAKBA-ZWKOTPCHSA-N 2 1 317.477 2.621 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)[C@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457118438 429407811 /nfs/dbraw/zinc/40/78/11/429407811.db2.gz MWXORQKRXUAKBA-ZWKOTPCHSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457118438 429407813 /nfs/dbraw/zinc/40/78/13/429407813.db2.gz MWXORQKRXUAKBA-ZWKOTPCHSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457118438 429407819 /nfs/dbraw/zinc/40/78/19/429407819.db2.gz MWXORQKRXUAKBA-ZWKOTPCHSA-N 2 1 317.477 2.621 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000449166388 429348843 /nfs/dbraw/zinc/34/88/43/429348843.db2.gz CNCNNQSODHYWPD-UHOFOFEASA-N 2 1 323.868 2.590 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000449166388 429348847 /nfs/dbraw/zinc/34/88/47/429348847.db2.gz CNCNNQSODHYWPD-UHOFOFEASA-N 2 1 323.868 2.590 20 0 DFADMP COC(=O)C1CCC([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000425949502 429353527 /nfs/dbraw/zinc/35/35/27/429353527.db2.gz IMPNSMDWEMGKLO-GTPINHCMSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000514660599 429368235 /nfs/dbraw/zinc/36/82/35/429368235.db2.gz VYQQCRBHFBJHCA-OLZOCXBDSA-N 2 1 322.403 2.718 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCC=CO3)CC2)cs1 ZINC000365775731 429370337 /nfs/dbraw/zinc/37/03/37/429370337.db2.gz IXQCHWMQIBZIDI-KRWDZBQOSA-N 2 1 321.490 2.946 20 0 DFADMP C=Cn1cc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000365795442 429373629 /nfs/dbraw/zinc/37/36/29/429373629.db2.gz NLYPSRGWKLFQDG-MRXNPFEDSA-N 2 1 300.450 2.680 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000365800485 429376612 /nfs/dbraw/zinc/37/66/12/429376612.db2.gz PJDMOQANKJDARD-OWLYRPNTSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000365800485 429376615 /nfs/dbraw/zinc/37/66/15/429376615.db2.gz PJDMOQANKJDARD-OWLYRPNTSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000365800485 429376620 /nfs/dbraw/zinc/37/66/20/429376620.db2.gz PJDMOQANKJDARD-OWLYRPNTSA-N 2 1 305.466 2.843 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000449318723 429386159 /nfs/dbraw/zinc/38/61/59/429386159.db2.gz DREZLUXBTNZJIH-HDMKZQKVSA-N 2 1 315.461 2.713 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000449317044 429386476 /nfs/dbraw/zinc/38/64/76/429386476.db2.gz AIZOPSVPUPDYSK-IIDMSEBBSA-N 2 1 315.461 2.855 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3cc(Cl)cc4c3OCOC4)C2)C1 ZINC000366494862 429463676 /nfs/dbraw/zinc/46/36/76/429463676.db2.gz FEVUHGCZQHWPRS-KRWDZBQOSA-N 2 1 322.836 2.734 20 0 DFADMP CO[C@H]1C[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)C12CCC2 ZINC000449632840 429463729 /nfs/dbraw/zinc/46/37/29/429463729.db2.gz NXPBFKQRNVXYKO-KGLIPLIRSA-N 2 1 309.479 2.594 20 0 DFADMP CC[C@@H](O)[C@H](CC)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449642963 429468755 /nfs/dbraw/zinc/46/87/55/429468755.db2.gz YIMUIUBBJSIZQD-GXTWGEPZSA-N 2 1 311.495 2.549 20 0 DFADMP CC[C@@H](O)[C@H](CC)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449642963 429468759 /nfs/dbraw/zinc/46/87/59/429468759.db2.gz YIMUIUBBJSIZQD-GXTWGEPZSA-N 2 1 311.495 2.549 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000449429545 429412995 /nfs/dbraw/zinc/41/29/95/429412995.db2.gz UUJWOIMNUPRBFO-MJIXASBWSA-N 2 1 314.473 2.933 20 0 DFADMP CC1(C)Cc2cccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2O1 ZINC000518534543 429426732 /nfs/dbraw/zinc/42/67/32/429426732.db2.gz IUTNSNGPUUKPPC-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)c2O1 ZINC000518534543 429426737 /nfs/dbraw/zinc/42/67/37/429426737.db2.gz IUTNSNGPUUKPPC-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@](C)(O)C(F)(F)F)C1 ZINC000518757540 429432461 /nfs/dbraw/zinc/43/24/61/429432461.db2.gz DWASMGFZJOGLKN-HZSPNIEDSA-N 2 1 310.404 2.647 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492130969 429472009 /nfs/dbraw/zinc/47/20/09/429472009.db2.gz IAMWKDDWTTXEPC-ZNMIVQPWSA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492130969 429472011 /nfs/dbraw/zinc/47/20/11/429472011.db2.gz IAMWKDDWTTXEPC-ZNMIVQPWSA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492130969 429472013 /nfs/dbraw/zinc/47/20/13/429472013.db2.gz IAMWKDDWTTXEPC-ZNMIVQPWSA-N 2 1 313.486 2.562 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@]2(CCOC2)C1 ZINC000449684122 429479000 /nfs/dbraw/zinc/47/90/00/429479000.db2.gz QVLWOQQHVGPGPC-GOSISDBHSA-N 2 1 312.417 2.578 20 0 DFADMP CC(C)CCCCC(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000457558816 429486212 /nfs/dbraw/zinc/48/62/12/429486212.db2.gz QPQCEYQDNHZGMO-UHFFFAOYSA-N 2 1 311.514 2.687 20 0 DFADMP CC(C)CCCCC(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000457558816 429486214 /nfs/dbraw/zinc/48/62/14/429486214.db2.gz QPQCEYQDNHZGMO-UHFFFAOYSA-N 2 1 311.514 2.687 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449712465 429486504 /nfs/dbraw/zinc/48/65/04/429486504.db2.gz RXEBLJQTJBOLRJ-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cccc2ccccc21 ZINC000428037932 429486598 /nfs/dbraw/zinc/48/65/98/429486598.db2.gz VSVIIEQVKXORBK-SJLPKXTDSA-N 2 1 323.440 2.852 20 0 DFADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1)Nc1cccc2ccccc21 ZINC000428037932 429486602 /nfs/dbraw/zinc/48/66/02/429486602.db2.gz VSVIIEQVKXORBK-SJLPKXTDSA-N 2 1 323.440 2.852 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449738426 429493852 /nfs/dbraw/zinc/49/38/52/429493852.db2.gz BSGCKLKVMPGWCN-KFKAGJAMSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@]1(C)CCCO1 ZINC000428210923 429499402 /nfs/dbraw/zinc/49/94/02/429499402.db2.gz WIUUQONXHXDBDD-APWZRJJASA-N 2 1 318.461 2.566 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)CCN1CCc2ccccc21 ZINC000428227847 429500717 /nfs/dbraw/zinc/50/07/17/429500717.db2.gz YBMWQQCWKQKWOV-SFHVURJKSA-N 2 1 301.478 2.855 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)CCN1CCc2ccccc21 ZINC000428227847 429500722 /nfs/dbraw/zinc/50/07/22/429500722.db2.gz YBMWQQCWKQKWOV-SFHVURJKSA-N 2 1 301.478 2.855 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)CCN1CCc2ccccc21 ZINC000428227847 429500726 /nfs/dbraw/zinc/50/07/26/429500726.db2.gz YBMWQQCWKQKWOV-SFHVURJKSA-N 2 1 301.478 2.855 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)CCN1CCc2ccccc21 ZINC000428227847 429500731 /nfs/dbraw/zinc/50/07/31/429500731.db2.gz YBMWQQCWKQKWOV-SFHVURJKSA-N 2 1 301.478 2.855 20 0 DFADMP COC[C@@H]1CCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449761570 429501011 /nfs/dbraw/zinc/50/10/11/429501011.db2.gz YVZVDICAGNCEHU-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000520248126 429506608 /nfs/dbraw/zinc/50/66/08/429506608.db2.gz PTYQLYODZUPIFC-MRXNPFEDSA-N 2 1 324.415 2.757 20 0 DFADMP CN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000520400782 429512891 /nfs/dbraw/zinc/51/28/91/429512891.db2.gz RRXVKOZOGYNLDF-HKUYNNGSSA-N 2 1 301.478 2.929 20 0 DFADMP CN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000520400782 429512897 /nfs/dbraw/zinc/51/28/97/429512897.db2.gz RRXVKOZOGYNLDF-HKUYNNGSSA-N 2 1 301.478 2.929 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)n1-c1ccccc1 ZINC000366784083 429515028 /nfs/dbraw/zinc/51/50/28/429515028.db2.gz BYDIDCNUFLJYNX-MRXNPFEDSA-N 2 1 321.428 2.729 20 0 DFADMP Brc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000366798956 429515997 /nfs/dbraw/zinc/51/59/97/429515997.db2.gz SQRYZQFYIYLRMK-SNVBAGLBSA-N 2 1 310.195 2.591 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000366794396 429516518 /nfs/dbraw/zinc/51/65/18/429516518.db2.gz ZPWSKGCRAWQASC-ZACQAIPSSA-N 2 1 304.482 2.768 20 0 DFADMP CC[N@H+](Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1)C(C)C ZINC000457747350 429520216 /nfs/dbraw/zinc/52/02/16/429520216.db2.gz OSALEEJUBAWBJC-UHFFFAOYSA-N 2 1 317.477 2.739 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1)C(C)C ZINC000457747350 429520218 /nfs/dbraw/zinc/52/02/18/429520218.db2.gz OSALEEJUBAWBJC-UHFFFAOYSA-N 2 1 317.477 2.739 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(-c2ccnn2C)c1 ZINC000366980676 429552340 /nfs/dbraw/zinc/55/23/40/429552340.db2.gz HYRVITLGIVUVFT-MRXNPFEDSA-N 2 1 321.428 2.697 20 0 DFADMP COCC1(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCC1 ZINC000367050163 429565533 /nfs/dbraw/zinc/56/55/33/429565533.db2.gz MQDWULRKKFMHSH-UHFFFAOYSA-N 2 1 323.506 2.816 20 0 DFADMP COCC1(C[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCC1 ZINC000367050163 429565536 /nfs/dbraw/zinc/56/55/36/429565536.db2.gz MQDWULRKKFMHSH-UHFFFAOYSA-N 2 1 323.506 2.816 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000367066096 429569908 /nfs/dbraw/zinc/56/99/08/429569908.db2.gz LODQSPCBRBWGOC-KSZLIROESA-N 2 1 324.509 2.815 20 0 DFADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000367076075 429571189 /nfs/dbraw/zinc/57/11/89/429571189.db2.gz ZFHHYKWQSWGURN-PAYONLEZSA-N 2 1 311.429 2.988 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429034397 429572873 /nfs/dbraw/zinc/57/28/73/429572873.db2.gz IHUUOSJSRZIWIB-HNAYVOBHSA-N 2 1 315.461 2.604 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000492606922 429575968 /nfs/dbraw/zinc/57/59/68/429575968.db2.gz FVKPSICPXJAZQO-KFWWJZLASA-N 2 1 313.486 2.704 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000492606922 429575982 /nfs/dbraw/zinc/57/59/82/429575982.db2.gz FVKPSICPXJAZQO-KFWWJZLASA-N 2 1 313.486 2.704 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C[C@H]1C ZINC000492606922 429575987 /nfs/dbraw/zinc/57/59/87/429575987.db2.gz FVKPSICPXJAZQO-KFWWJZLASA-N 2 1 313.486 2.704 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000520978389 429533968 /nfs/dbraw/zinc/53/39/68/429533968.db2.gz ITJIWKGNRBFHEF-LJQANCHMSA-N 2 1 302.462 2.964 20 0 DFADMP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366932233 429544293 /nfs/dbraw/zinc/54/42/93/429544293.db2.gz JXLIYHYETJSBHK-GDBMZVCRSA-N 2 1 320.868 2.614 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000366951166 429546217 /nfs/dbraw/zinc/54/62/17/429546217.db2.gz IYSVXOXYKCDHIR-AABGKKOBSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000366951166 429546220 /nfs/dbraw/zinc/54/62/20/429546220.db2.gz IYSVXOXYKCDHIR-AABGKKOBSA-N 2 1 314.473 2.769 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458298467 429616275 /nfs/dbraw/zinc/61/62/75/429616275.db2.gz ZIXZZUWBHZNFGT-QGZVFWFLSA-N 2 1 303.450 2.870 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000367337196 429624710 /nfs/dbraw/zinc/62/47/10/429624710.db2.gz YDMNYFJPQAYRKZ-LBKNJMOBSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000367337196 429624713 /nfs/dbraw/zinc/62/47/13/429624713.db2.gz YDMNYFJPQAYRKZ-LBKNJMOBSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000367337196 429624717 /nfs/dbraw/zinc/62/47/17/429624717.db2.gz YDMNYFJPQAYRKZ-LBKNJMOBSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H](O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450456790 429631980 /nfs/dbraw/zinc/63/19/80/429631980.db2.gz UKDIUACCQOYUMG-MJGOQNOKSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450456790 429631983 /nfs/dbraw/zinc/63/19/83/429631983.db2.gz UKDIUACCQOYUMG-MJGOQNOKSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450456790 429631987 /nfs/dbraw/zinc/63/19/87/429631987.db2.gz UKDIUACCQOYUMG-MJGOQNOKSA-N 2 1 302.462 2.745 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000429809160 429634384 /nfs/dbraw/zinc/63/43/84/429634384.db2.gz QVFVDWKEIVPTJA-YOEHRIQHSA-N 2 1 321.440 2.735 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450471605 429636114 /nfs/dbraw/zinc/63/61/14/429636114.db2.gz WIRGCNQSBLCVQF-VQIMIIECSA-N 2 1 304.478 2.957 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[C@@H]([N@@H+](C)CCO)[C@H]3C)c2c1 ZINC000450538458 429643335 /nfs/dbraw/zinc/64/33/35/429643335.db2.gz GGFUJHHVEKLSIJ-RDTXWAMCSA-N 2 1 313.445 2.689 20 0 DFADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199186 429595543 /nfs/dbraw/zinc/59/55/43/429595543.db2.gz INGQDDDIFJUGPX-KRWDZBQOSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000429352051 429601929 /nfs/dbraw/zinc/60/19/29/429601929.db2.gz HIDBKIVRAOWQAK-QAPCUYQASA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000450365654 429611155 /nfs/dbraw/zinc/61/11/55/429611155.db2.gz PGVOYECMGKTRGE-OAHLLOKOSA-N 2 1 324.896 2.907 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000429537418 429614111 /nfs/dbraw/zinc/61/41/11/429614111.db2.gz FHAWFVMVFBLVAQ-OAHLLOKOSA-N 2 1 321.440 2.879 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450599953 429658172 /nfs/dbraw/zinc/65/81/72/429658172.db2.gz MDMRZRBKBHHFAL-QAPCUYQASA-N 2 1 301.434 2.678 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)[C@H](C)c1ccccc1 ZINC000450599953 429658175 /nfs/dbraw/zinc/65/81/75/429658175.db2.gz MDMRZRBKBHHFAL-QAPCUYQASA-N 2 1 301.434 2.678 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC000450600352 429658605 /nfs/dbraw/zinc/65/86/05/429658605.db2.gz NLLIBECSKFREPT-GBJTYRQASA-N 2 1 302.409 2.605 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000367517919 429664280 /nfs/dbraw/zinc/66/42/80/429664280.db2.gz FILBQPNWYKPMAG-CEXWTWQISA-N 2 1 310.445 2.835 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367539338 429667476 /nfs/dbraw/zinc/66/74/76/429667476.db2.gz YRUUNJBICRTDNK-XCRHUMRWSA-N 2 1 304.482 2.507 20 0 DFADMP C[C@H]1C[N@@H+](CC23CCC(CC2)C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450640743 429668329 /nfs/dbraw/zinc/66/83/29/429668329.db2.gz GWNDGZJZCGJRLT-BKVYNOPKSA-N 2 1 305.510 2.525 20 0 DFADMP CCN(C(=O)CCC[NH2+]C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000368453900 276060417 /nfs/dbraw/zinc/06/04/17/276060417.db2.gz NCBYYDWSATZBEX-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](CC)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272365331 276099573 /nfs/dbraw/zinc/09/95/73/276099573.db2.gz OBBSNNPJHVJEHH-IEBWSBKVSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271254540 276106713 /nfs/dbraw/zinc/10/67/13/276106713.db2.gz GGNGRCUBQFQSNX-PMACEKPBSA-N 2 1 315.505 2.925 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211857 276224874 /nfs/dbraw/zinc/22/48/74/276224874.db2.gz YPRYQLCKPIILQE-CABCVRRESA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211857 276224875 /nfs/dbraw/zinc/22/48/75/276224875.db2.gz YPRYQLCKPIILQE-CABCVRRESA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211857 276224876 /nfs/dbraw/zinc/22/48/76/276224876.db2.gz YPRYQLCKPIILQE-CABCVRRESA-N 2 1 321.440 2.959 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(=O)[nH]n1 ZINC000367625884 429689505 /nfs/dbraw/zinc/68/95/05/429689505.db2.gz ZKTNNCCQGUBVCX-OZVIIMIRSA-N 2 1 318.446 2.587 20 0 DFADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367623258 429687112 /nfs/dbraw/zinc/68/71/12/429687112.db2.gz VJILDOXWKVEMTE-OTWHNJEPSA-N 3 1 301.478 2.711 20 0 DFADMP CN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@@H]2CCC[C@@H]21 ZINC000367623258 429687116 /nfs/dbraw/zinc/68/71/16/429687116.db2.gz VJILDOXWKVEMTE-OTWHNJEPSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367623258 429687120 /nfs/dbraw/zinc/68/71/20/429687120.db2.gz VJILDOXWKVEMTE-OTWHNJEPSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367623258 429687122 /nfs/dbraw/zinc/68/71/22/429687122.db2.gz VJILDOXWKVEMTE-OTWHNJEPSA-N 2 1 301.478 2.711 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000262528704 276292148 /nfs/dbraw/zinc/29/21/48/276292148.db2.gz HKVABRRTFDKQHL-UXLLHSPISA-N 2 1 323.868 2.719 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000262528704 276292149 /nfs/dbraw/zinc/29/21/49/276292149.db2.gz HKVABRRTFDKQHL-UXLLHSPISA-N 2 1 323.868 2.719 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2ncc(-c3cccs3)o2)CC1 ZINC000430549344 429688969 /nfs/dbraw/zinc/68/89/69/429688969.db2.gz XHMXTRROQTVCOR-UHFFFAOYSA-N 2 1 321.446 2.733 20 0 DFADMP C[N@H+](CC1CC(F)(F)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450779741 429698465 /nfs/dbraw/zinc/69/84/65/429698465.db2.gz OGHYEGWYFOYOQQ-KRWDZBQOSA-N 2 1 324.415 2.601 20 0 DFADMP C[N@@H+](CC1CC(F)(F)C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450779741 429698467 /nfs/dbraw/zinc/69/84/67/429698467.db2.gz OGHYEGWYFOYOQQ-KRWDZBQOSA-N 2 1 324.415 2.601 20 0 DFADMP C[NH+](CC1CC(F)(F)C1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450779741 429698471 /nfs/dbraw/zinc/69/84/71/429698471.db2.gz OGHYEGWYFOYOQQ-KRWDZBQOSA-N 2 1 324.415 2.601 20 0 DFADMP C[NH+](CC1CC(F)(F)C1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450779741 429698474 /nfs/dbraw/zinc/69/84/74/429698474.db2.gz OGHYEGWYFOYOQQ-KRWDZBQOSA-N 2 1 324.415 2.601 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000450790804 429699362 /nfs/dbraw/zinc/69/93/62/429699362.db2.gz HPARPDXFPVOVPM-IYBDPMFKSA-N 2 1 313.445 2.743 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000430564304 429691687 /nfs/dbraw/zinc/69/16/87/429691687.db2.gz LKSBCHASIGTPJG-VNHYZAJKSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000430564304 429691689 /nfs/dbraw/zinc/69/16/89/429691689.db2.gz LKSBCHASIGTPJG-VNHYZAJKSA-N 2 1 323.868 2.576 20 0 DFADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CC1 ZINC000376804763 276314252 /nfs/dbraw/zinc/31/42/52/276314252.db2.gz QXTDKKVAXDPDHB-FGTMMUONSA-N 2 1 324.509 2.672 20 0 DFADMP CC[N@@H+](CC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000357876099 276314265 /nfs/dbraw/zinc/31/42/65/276314265.db2.gz SKJGTSLHCIGHME-DNVCBOLYSA-N 2 1 317.477 2.587 20 0 DFADMP C[N@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC[NH2+]CC1 ZINC000430597408 429699720 /nfs/dbraw/zinc/69/97/20/429699720.db2.gz AGLLPEJOJLEGDF-UHFFFAOYSA-N 2 1 320.824 2.616 20 0 DFADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)C1CC[NH2+]CC1 ZINC000430597408 429699723 /nfs/dbraw/zinc/69/97/23/429699723.db2.gz AGLLPEJOJLEGDF-UHFFFAOYSA-N 2 1 320.824 2.616 20 0 DFADMP Cc1cccc2ncc(C[N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)n21 ZINC000367657787 429693896 /nfs/dbraw/zinc/69/38/96/429693896.db2.gz KMGHOFNGGRKPEL-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1cccc2ncc(C[N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)n21 ZINC000367657787 429693898 /nfs/dbraw/zinc/69/38/98/429693898.db2.gz KMGHOFNGGRKPEL-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)CCC(F)(F)F ZINC000353608007 276349125 /nfs/dbraw/zinc/34/91/25/276349125.db2.gz QUOHMZNVIKGBBM-RBSFLKMASA-N 2 1 321.431 2.723 20 0 DFADMP C[N@@H+](CCOc1ccccc1C(F)(F)F)C1CC[NH2+]CC1 ZINC000430640841 429706083 /nfs/dbraw/zinc/70/60/83/429706083.db2.gz KXYZDCJKTJQIPS-UHFFFAOYSA-N 2 1 302.340 2.768 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367727470 429706997 /nfs/dbraw/zinc/70/69/97/429706997.db2.gz OZJJRLYNONVGKA-ZACQAIPSSA-N 2 1 303.450 2.833 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367727470 429707000 /nfs/dbraw/zinc/70/70/00/429707000.db2.gz OZJJRLYNONVGKA-ZACQAIPSSA-N 2 1 303.450 2.833 20 0 DFADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000367795451 429718566 /nfs/dbraw/zinc/71/85/66/429718566.db2.gz VVKLEUDWEBPVOP-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000367795451 429718569 /nfs/dbraw/zinc/71/85/69/429718569.db2.gz VVKLEUDWEBPVOP-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000367795451 429718571 /nfs/dbraw/zinc/71/85/71/429718571.db2.gz VVKLEUDWEBPVOP-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000430920454 429723490 /nfs/dbraw/zinc/72/34/90/429723490.db2.gz OXCQYEMVZZBTGI-NSHDSACASA-N 2 1 306.435 2.791 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCSC3)C2)nc(C)[nH+]1 ZINC000367829909 429725563 /nfs/dbraw/zinc/72/55/63/429725563.db2.gz DKVCMLBXKKEECO-HUUCEWRRSA-N 2 1 306.479 2.547 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1[NH3+] ZINC000430950793 429727787 /nfs/dbraw/zinc/72/77/87/429727787.db2.gz SMJPDFWVIXHCDX-DNVCBOLYSA-N 2 1 311.429 2.830 20 0 DFADMP [NH3+]C[C@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430959795 429730024 /nfs/dbraw/zinc/73/00/24/429730024.db2.gz DQYVQGCOXLVIHT-MRXNPFEDSA-N 2 1 321.509 2.761 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430959795 429730028 /nfs/dbraw/zinc/73/00/28/429730028.db2.gz DQYVQGCOXLVIHT-MRXNPFEDSA-N 2 1 321.509 2.761 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430965736 429731325 /nfs/dbraw/zinc/73/13/25/429731325.db2.gz LKLBQDVDRHWCBB-LBPRGKRZSA-N 2 1 302.340 2.755 20 0 DFADMP CCO[C@H](C)c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000431024988 429736068 /nfs/dbraw/zinc/73/60/68/429736068.db2.gz NJOHVIASCBLTGR-CYBMUJFWSA-N 2 1 309.479 2.816 20 0 DFADMP Cc1ccc(C[C@H](C)[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431074582 429739551 /nfs/dbraw/zinc/73/95/51/429739551.db2.gz WBBFIVPGFYOTIW-ZDUSSCGKSA-N 2 1 302.422 2.635 20 0 DFADMP Cc1ccc(C[C@H](C)[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431074582 429739555 /nfs/dbraw/zinc/73/95/55/429739555.db2.gz WBBFIVPGFYOTIW-ZDUSSCGKSA-N 2 1 302.422 2.635 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431073883 429739861 /nfs/dbraw/zinc/73/98/61/429739861.db2.gz NIVKASKKKUPGHX-OAHLLOKOSA-N 2 1 314.433 2.779 20 0 DFADMP C[C@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431095501 429741216 /nfs/dbraw/zinc/74/12/16/429741216.db2.gz FUUPPVFWCGLIQJ-ZFWWWQNUSA-N 2 1 314.433 2.717 20 0 DFADMP C[C@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1c1ccccc1 ZINC000431085272 429742849 /nfs/dbraw/zinc/74/28/49/429742849.db2.gz JLPRVDLZNRQQSO-DZGCQCFKSA-N 2 1 314.433 2.889 20 0 DFADMP C[C@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1c1ccccc1 ZINC000431085272 429742853 /nfs/dbraw/zinc/74/28/53/429742853.db2.gz JLPRVDLZNRQQSO-DZGCQCFKSA-N 2 1 314.433 2.889 20 0 DFADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103120 429743624 /nfs/dbraw/zinc/74/36/24/429743624.db2.gz VWESXOTUTLTKON-GXTWGEPZSA-N 2 1 300.406 2.641 20 0 DFADMP C[C@H]1C[N@H+]2CCC[C@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324974 429743949 /nfs/dbraw/zinc/74/39/49/429743949.db2.gz UVAKJRMPRDGYSZ-WMZOPIPTSA-N 2 1 310.445 2.600 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000527496091 429752236 /nfs/dbraw/zinc/75/22/36/429752236.db2.gz RTMQWECITUFIRJ-JCKWVBRZSA-N 2 1 314.433 2.557 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000527496093 429753457 /nfs/dbraw/zinc/75/34/57/429753457.db2.gz RTMQWECITUFIRJ-YEWWUXTCSA-N 2 1 314.433 2.557 20 0 DFADMP Cn1c2cc(F)ccc2[nH+]c1NCC1(C[NH+](C)C)CCCC1 ZINC000431422930 429759912 /nfs/dbraw/zinc/75/99/12/429759912.db2.gz QJOKGOWVOSUGJN-UHFFFAOYSA-N 2 1 304.413 3.246 20 0 DFADMP Cn1c2cc(F)ccc2nc1NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000431428317 429762484 /nfs/dbraw/zinc/76/24/84/429762484.db2.gz TUXDVMGAZDHVEI-CQSZACIVSA-N 2 1 302.397 3.141 20 0 DFADMP Cc1cnn(C)c1C[N@@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000368021131 429768921 /nfs/dbraw/zinc/76/89/21/429768921.db2.gz XWVKHKKFQSDQDL-OAHLLOKOSA-N 2 1 301.438 2.713 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000368050207 429775047 /nfs/dbraw/zinc/77/50/47/429775047.db2.gz DNFBUFYSIALEKM-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431733883 429778893 /nfs/dbraw/zinc/77/88/93/429778893.db2.gz ANXGYIAZRIMCIV-XDNAFOTISA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431733883 429778895 /nfs/dbraw/zinc/77/88/95/429778895.db2.gz ANXGYIAZRIMCIV-XDNAFOTISA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431733883 429778902 /nfs/dbraw/zinc/77/89/02/429778902.db2.gz ANXGYIAZRIMCIV-XDNAFOTISA-N 2 1 323.525 2.734 20 0 DFADMP C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368070242 429779304 /nfs/dbraw/zinc/77/93/04/429779304.db2.gz IXSNZXKKSYZPJI-HNNXBMFYSA-N 2 1 321.465 2.889 20 0 DFADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368070242 429779307 /nfs/dbraw/zinc/77/93/07/429779307.db2.gz IXSNZXKKSYZPJI-HNNXBMFYSA-N 2 1 321.465 2.889 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431733884 429779353 /nfs/dbraw/zinc/77/93/53/429779353.db2.gz ANXGYIAZRIMCIV-XMTFNYHQSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431733884 429779356 /nfs/dbraw/zinc/77/93/56/429779356.db2.gz ANXGYIAZRIMCIV-XMTFNYHQSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431733884 429779360 /nfs/dbraw/zinc/77/93/60/429779360.db2.gz ANXGYIAZRIMCIV-XMTFNYHQSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748856 429780356 /nfs/dbraw/zinc/78/03/56/429780356.db2.gz JCLJPVOXPJZHNC-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527691898 429780868 /nfs/dbraw/zinc/78/08/68/429780868.db2.gz LTZONZGLBWIMFI-FHWLQOOXSA-N 2 1 302.462 2.759 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527691898 429780873 /nfs/dbraw/zinc/78/08/73/429780873.db2.gz LTZONZGLBWIMFI-FHWLQOOXSA-N 2 1 302.462 2.759 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431788939 429782901 /nfs/dbraw/zinc/78/29/01/429782901.db2.gz OVLNNLVMCQZNCX-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431788939 429782904 /nfs/dbraw/zinc/78/29/04/429782904.db2.gz OVLNNLVMCQZNCX-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431788939 429782907 /nfs/dbraw/zinc/78/29/07/429782907.db2.gz OVLNNLVMCQZNCX-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1OC ZINC000368103972 429789388 /nfs/dbraw/zinc/78/93/88/429789388.db2.gz ZRCABEXVZQCQKU-CHWSQXEVSA-N 2 1 315.417 2.943 20 0 DFADMP O=C(NCC[NH+]1CCCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431913955 429789647 /nfs/dbraw/zinc/78/96/47/429789647.db2.gz OVEZKGDDDBYCBA-GOSISDBHSA-N 2 1 321.509 2.776 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000368273471 429821021 /nfs/dbraw/zinc/82/10/21/429821021.db2.gz MSSVEQSJGGAIBO-VAMGGRTRSA-N 2 1 313.489 2.643 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)[C@H](C)C1 ZINC000527928002 429822148 /nfs/dbraw/zinc/82/21/48/429822148.db2.gz DAFGUKRPFLCQNY-VKJFTORMSA-N 2 1 304.434 2.536 20 0 DFADMP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527977411 429829253 /nfs/dbraw/zinc/82/92/53/429829253.db2.gz FKWPDRWLNQYBGY-IZIZEDOESA-N 2 1 300.446 2.666 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000528016500 429837065 /nfs/dbraw/zinc/83/70/65/429837065.db2.gz ASCNVVWGXRSWEU-ZSDFWYKJSA-N 2 1 314.473 2.648 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529153 429843989 /nfs/dbraw/zinc/84/39/89/429843989.db2.gz MJFKJSFCZHCMET-PKOBYXMFSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529153 429843992 /nfs/dbraw/zinc/84/39/92/429843992.db2.gz MJFKJSFCZHCMET-PKOBYXMFSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529153 429843994 /nfs/dbraw/zinc/84/39/94/429843994.db2.gz MJFKJSFCZHCMET-PKOBYXMFSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529153 429843996 /nfs/dbraw/zinc/84/39/96/429843996.db2.gz MJFKJSFCZHCMET-PKOBYXMFSA-N 2 1 323.525 2.687 20 0 DFADMP O[C@]1(c2ccc(F)cc2)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000368421301 429845436 /nfs/dbraw/zinc/84/54/36/429845436.db2.gz ZKCYLWZSPIVKLO-GOSISDBHSA-N 2 1 306.425 2.595 20 0 DFADMP O[C@]1(c2ccc(F)cc2)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000368421301 429845440 /nfs/dbraw/zinc/84/54/40/429845440.db2.gz ZKCYLWZSPIVKLO-GOSISDBHSA-N 2 1 306.425 2.595 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000368434526 429849817 /nfs/dbraw/zinc/84/98/17/429849817.db2.gz PMBLTRLSIZFBSP-ZIFCJYIRSA-N 2 1 324.472 2.871 20 0 DFADMP Cc1cc([C@@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)no1 ZINC000368520711 429860253 /nfs/dbraw/zinc/86/02/53/429860253.db2.gz XWDNFZUVAVQCFS-SFHVURJKSA-N 2 1 320.481 2.536 20 0 DFADMP Cc1cc(NC[C@@H]2CC[N@H+]2C2CCCC2)nc(-c2ccncc2)n1 ZINC000528209280 429861984 /nfs/dbraw/zinc/86/19/84/429861984.db2.gz MNWKHBQMQQCPLO-KRWDZBQOSA-N 2 1 323.444 2.698 20 0 DFADMP C[C@]1(CNC(=[NH2+])Nc2ccccn2)CC[N@@H+](Cc2ccccc2)C1 ZINC000368532451 429863609 /nfs/dbraw/zinc/86/36/09/429863609.db2.gz YUKCTBASEKNICU-LJQANCHMSA-N 2 1 323.444 2.930 20 0 DFADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000494306301 429866061 /nfs/dbraw/zinc/86/60/61/429866061.db2.gz CZDNFIKWZJAPBP-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@@H]1CC12CC2 ZINC000527846969 429809061 /nfs/dbraw/zinc/80/90/61/429809061.db2.gz ZYEFDBRSBGLATN-HRCADAONSA-N 2 1 319.518 2.815 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451336589 429814344 /nfs/dbraw/zinc/81/43/44/429814344.db2.gz FBCJLVPEOFJALK-KURKYZTESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000451336589 429814348 /nfs/dbraw/zinc/81/43/48/429814348.db2.gz FBCJLVPEOFJALK-KURKYZTESA-N 2 1 305.466 2.987 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H]2CCC[C@H]21 ZINC000368607121 429877754 /nfs/dbraw/zinc/87/77/54/429877754.db2.gz GVIRAFJLEKNDKG-RVKKMQEKSA-N 2 1 312.461 2.958 20 0 DFADMP CSCCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368633105 429879715 /nfs/dbraw/zinc/87/97/15/429879715.db2.gz KULFRSITQPKKAV-IXDOHACOSA-N 2 1 314.539 2.999 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494555962 429880427 /nfs/dbraw/zinc/88/04/27/429880427.db2.gz SMMGORSVYHGWNK-SOUVJXGZSA-N 2 1 313.486 2.610 20 0 DFADMP CC[NH+](CC)CC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000368669694 429885441 /nfs/dbraw/zinc/88/54/41/429885441.db2.gz AXXCRCXHGOOXNV-OAHLLOKOSA-N 2 1 306.454 2.512 20 0 DFADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000368720192 429889822 /nfs/dbraw/zinc/88/98/22/429889822.db2.gz WFFGMYLAWNFBLI-LWYYNNOASA-N 2 1 314.473 2.851 20 0 DFADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000368720192 429889823 /nfs/dbraw/zinc/88/98/23/429889823.db2.gz WFFGMYLAWNFBLI-LWYYNNOASA-N 2 1 314.473 2.851 20 0 DFADMP CO[C@H](CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000528511713 429895371 /nfs/dbraw/zinc/89/53/71/429895371.db2.gz HCZNKUYZSHENIG-MSOLQXFVSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000528511713 429895373 /nfs/dbraw/zinc/89/53/73/429895373.db2.gz HCZNKUYZSHENIG-MSOLQXFVSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000528511713 429895378 /nfs/dbraw/zinc/89/53/78/429895378.db2.gz HCZNKUYZSHENIG-MSOLQXFVSA-N 2 1 306.425 2.931 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1OC(F)F ZINC000368842804 429898181 /nfs/dbraw/zinc/89/81/81/429898181.db2.gz AMZHLWKGBBVPFY-GFCCVEGCSA-N 2 1 323.343 2.598 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767744 429914272 /nfs/dbraw/zinc/91/42/72/429914272.db2.gz AKLSEQUNIPPJRC-ZWKOTPCHSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767744 429914274 /nfs/dbraw/zinc/91/42/74/429914274.db2.gz AKLSEQUNIPPJRC-ZWKOTPCHSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767744 429914276 /nfs/dbraw/zinc/91/42/76/429914276.db2.gz AKLSEQUNIPPJRC-ZWKOTPCHSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767744 429914277 /nfs/dbraw/zinc/91/42/77/429914277.db2.gz AKLSEQUNIPPJRC-ZWKOTPCHSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+]1CCC(NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369183931 429917968 /nfs/dbraw/zinc/91/79/68/429917968.db2.gz ONPAVFCOYKEZFS-LJQANCHMSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)C2CCCCC2)CC1 ZINC000556958972 429923844 /nfs/dbraw/zinc/92/38/44/429923844.db2.gz VHGZCRYTHPFTTH-MRXNPFEDSA-N 2 1 323.525 2.876 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000369328465 429923956 /nfs/dbraw/zinc/92/39/56/429923956.db2.gz BDZYTGYKENZEAW-QZTJIDSGSA-N 2 1 304.503 2.894 20 0 DFADMP CC[C@H](c1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369352754 429927597 /nfs/dbraw/zinc/92/75/97/429927597.db2.gz AIZMXABJTOSMNO-RBUKOAKNSA-N 2 1 301.478 2.850 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263140649 276704499 /nfs/dbraw/zinc/70/44/99/276704499.db2.gz CGSLCUMDOJSIQH-IIDMSEBBSA-N 2 1 318.465 2.517 20 0 DFADMP O[C@@]1(C[NH2+]C2(C3CCC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639728703 429962516 /nfs/dbraw/zinc/96/25/16/429962516.db2.gz DHDMRSJEKZQBOK-GOSISDBHSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@@]1(C[NH2+]C2(C3CCC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639728703 429962519 /nfs/dbraw/zinc/96/25/19/429962519.db2.gz DHDMRSJEKZQBOK-GOSISDBHSA-N 2 1 300.446 2.546 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756274 429971113 /nfs/dbraw/zinc/97/11/13/429971113.db2.gz UMGMGILRHMHIOG-HYXAFXHYSA-N 2 1 315.461 2.911 20 0 DFADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759899 429971902 /nfs/dbraw/zinc/97/19/02/429971902.db2.gz NARQXRGLQXXMNO-YESZJQIVSA-N 2 1 321.509 2.582 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573793195 429983141 /nfs/dbraw/zinc/98/31/41/429983141.db2.gz XIFLVUVYAZZEPV-GHMZBOCLSA-N 2 1 322.762 2.635 20 0 DFADMP C[C@@H](c1ccc(F)cc1)N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369360926 429930773 /nfs/dbraw/zinc/93/07/73/429930773.db2.gz ZGZLOPWXXXWZGO-MAUKXSAKSA-N 2 1 305.441 2.599 20 0 DFADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1 ZINC000557338163 429936657 /nfs/dbraw/zinc/93/66/57/429936657.db2.gz WYRDPVJMMABVDP-SJORKVTESA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1 ZINC000557338163 429936663 /nfs/dbraw/zinc/93/66/63/429936663.db2.gz WYRDPVJMMABVDP-SJORKVTESA-N 2 1 319.424 2.761 20 0 DFADMP CCC[C@H](C)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000557522699 429943937 /nfs/dbraw/zinc/94/39/37/429943937.db2.gz DUKIMSPLHIBKDX-INIZCTEOSA-N 2 1 323.525 2.830 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC000557663386 429950530 /nfs/dbraw/zinc/95/05/30/429950530.db2.gz KZTPEDFUMAKRPM-UHFFFAOYSA-N 2 1 303.450 2.727 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000574322192 430030686 /nfs/dbraw/zinc/03/06/86/430030686.db2.gz RCCUCPXHOXVDTB-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574322192 430030691 /nfs/dbraw/zinc/03/06/91/430030691.db2.gz RCCUCPXHOXVDTB-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574322192 430030694 /nfs/dbraw/zinc/03/06/94/430030694.db2.gz RCCUCPXHOXVDTB-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC[C@H](C)O)C2)s1 ZINC000574330391 430031407 /nfs/dbraw/zinc/03/14/07/430031407.db2.gz UDNOKAHOGKJFAV-GOEBONIOSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC[C@H](C)O)C2)s1 ZINC000574330391 430031410 /nfs/dbraw/zinc/03/14/10/430031410.db2.gz UDNOKAHOGKJFAV-GOEBONIOSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC[C@H](C)O)C2)s1 ZINC000574330391 430031414 /nfs/dbraw/zinc/03/14/14/430031414.db2.gz UDNOKAHOGKJFAV-GOEBONIOSA-N 2 1 310.507 2.971 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000574322184 430031552 /nfs/dbraw/zinc/03/15/52/430031552.db2.gz RCCUCPXHOXVDTB-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574322184 430031557 /nfs/dbraw/zinc/03/15/57/430031557.db2.gz RCCUCPXHOXVDTB-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574322184 430031560 /nfs/dbraw/zinc/03/15/60/430031560.db2.gz RCCUCPXHOXVDTB-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000574462315 430043807 /nfs/dbraw/zinc/04/38/07/430043807.db2.gz DZHUJCGGUACGQZ-KRWDZBQOSA-N 2 1 307.438 2.551 20 0 DFADMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000574462315 430043812 /nfs/dbraw/zinc/04/38/12/430043812.db2.gz DZHUJCGGUACGQZ-KRWDZBQOSA-N 2 1 307.438 2.551 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000559111665 429998007 /nfs/dbraw/zinc/99/80/07/429998007.db2.gz GORUQSSJIHYKGD-RDTXWAMCSA-N 2 1 317.408 2.859 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2C=CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000559146040 429999537 /nfs/dbraw/zinc/99/95/37/429999537.db2.gz VCGXUGCDWNWZTR-QRVBRYPASA-N 2 1 305.510 2.833 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000574032811 430004282 /nfs/dbraw/zinc/00/42/82/430004282.db2.gz WSFHGLZNPGHOIC-PKOBYXMFSA-N 2 1 304.478 2.834 20 0 DFADMP Cn1c2ccc(C[NH2+][C@H](C[NH3+])C3CCCCC3)cc2sc1=O ZINC000574174995 430017668 /nfs/dbraw/zinc/01/76/68/430017668.db2.gz JRRXRPVCJMCVEP-CQSZACIVSA-N 2 1 319.474 2.597 20 0 DFADMP Cc1csc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000634715292 430088052 /nfs/dbraw/zinc/08/80/52/430088052.db2.gz AKQSODYWEGRFTG-SFHVURJKSA-N 2 1 316.470 2.783 20 0 DFADMP Cc1csc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000634715292 430088058 /nfs/dbraw/zinc/08/80/58/430088058.db2.gz AKQSODYWEGRFTG-SFHVURJKSA-N 2 1 316.470 2.783 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723658 430089470 /nfs/dbraw/zinc/08/94/70/430089470.db2.gz AGUSFAQSFRDAKK-NXWXRZEISA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)[C@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1(F)F ZINC000634722835 430089491 /nfs/dbraw/zinc/08/94/91/430089491.db2.gz VQZKKNRPGBTTMC-RDJZCZTQSA-N 2 1 324.415 2.504 20 0 DFADMP CC1(C)[C@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1(F)F ZINC000634722835 430089495 /nfs/dbraw/zinc/08/94/95/430089495.db2.gz VQZKKNRPGBTTMC-RDJZCZTQSA-N 2 1 324.415 2.504 20 0 DFADMP C[C@]1(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]2C[C@H]2C1 ZINC000634721971 430090394 /nfs/dbraw/zinc/09/03/94/430090394.db2.gz IAAKEXXPSJXZTO-NMLBUPMWSA-N 2 1 314.473 2.649 20 0 DFADMP C[C@]1(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]2C[C@H]2C1 ZINC000634721971 430090396 /nfs/dbraw/zinc/09/03/96/430090396.db2.gz IAAKEXXPSJXZTO-NMLBUPMWSA-N 2 1 314.473 2.649 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732239 430093576 /nfs/dbraw/zinc/09/35/76/430093576.db2.gz BHRYSXQPVOJWCR-AWEZNQCLSA-N 2 1 322.449 2.580 20 0 DFADMP COc1cc(OC)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(OC)c1 ZINC000634732199 430094388 /nfs/dbraw/zinc/09/43/88/430094388.db2.gz AMTAGUTUOGIRRM-CYBMUJFWSA-N 2 1 322.449 2.580 20 0 DFADMP CO[C@@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000530227391 430106061 /nfs/dbraw/zinc/10/60/61/430106061.db2.gz WZMVJIVAGLMKGF-PBHICJAKSA-N 2 1 306.425 2.977 20 0 DFADMP CC(C)[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000530245157 430107610 /nfs/dbraw/zinc/10/76/10/430107610.db2.gz UZLNOKQLQNXLPK-VQTJNVASSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562101095 430108575 /nfs/dbraw/zinc/10/85/75/430108575.db2.gz ZGRJUBKWRAKALT-AAEUAGOBSA-N 2 1 324.428 2.848 20 0 DFADMP CCCN(CCC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000561109012 430076382 /nfs/dbraw/zinc/07/63/82/430076382.db2.gz QAOYQIKLMSDXEL-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@@H](C)C1 ZINC000634686660 430077369 /nfs/dbraw/zinc/07/73/69/430077369.db2.gz PJAGNGUEJDRJTR-ULQDDVLXSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]1CC[C@H](C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)O1 ZINC000634687860 430077482 /nfs/dbraw/zinc/07/74/82/430077482.db2.gz BJYIWHWSBQYBIU-KBAYOESNSA-N 2 1 303.450 2.593 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)O1 ZINC000634687860 430077483 /nfs/dbraw/zinc/07/74/83/430077483.db2.gz BJYIWHWSBQYBIU-KBAYOESNSA-N 2 1 303.450 2.593 20 0 DFADMP O[C@]1(C[NH2+]CCc2ccsc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634699964 430082488 /nfs/dbraw/zinc/08/24/88/430082488.db2.gz RFRSFQSMRAECIZ-SFHVURJKSA-N 2 1 316.470 2.517 20 0 DFADMP O[C@]1(C[NH2+]CCc2ccsc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699964 430082492 /nfs/dbraw/zinc/08/24/92/430082492.db2.gz RFRSFQSMRAECIZ-SFHVURJKSA-N 2 1 316.470 2.517 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccc([C@@H]2C[C@@H]2C)o1)C1CC1 ZINC000580840995 430156390 /nfs/dbraw/zinc/15/63/90/430156390.db2.gz GEAADRJCOAVRLL-JLJPHGGASA-N 2 1 306.450 2.680 20 0 DFADMP CC(C)[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637876554 430157174 /nfs/dbraw/zinc/15/71/74/430157174.db2.gz KXHJMYSOSYLHQJ-INIZCTEOSA-N 2 1 317.477 2.531 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000562717780 430173105 /nfs/dbraw/zinc/17/31/05/430173105.db2.gz YBVYZSUDUCVDRI-CQSZACIVSA-N 2 1 312.421 2.651 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2cc(F)ccc2o1 ZINC000634959113 430176007 /nfs/dbraw/zinc/17/60/07/430176007.db2.gz IFBZUOTVKCOISY-NSHDSACASA-N 2 1 302.353 2.898 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000562748207 430176054 /nfs/dbraw/zinc/17/60/54/430176054.db2.gz ZLZWJCSSVRVLAW-QWQRMKEZSA-N 2 1 300.450 2.801 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)C[N@@H+](C)CCc2ccccc2)c1 ZINC000637809484 430134998 /nfs/dbraw/zinc/13/49/98/430134998.db2.gz ROLBMNONUVZPFN-UHFFFAOYSA-N 2 1 311.429 2.519 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH3+])c2ccc(C(C)C)cc2)CC[N@H+]1C ZINC000637830681 430140169 /nfs/dbraw/zinc/14/01/69/430140169.db2.gz CIZNJGBRTJGZCT-OKZBNKHCSA-N 2 1 317.477 2.656 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC000369353292 277053795 /nfs/dbraw/zinc/05/37/95/277053795.db2.gz BXGYTPRHJFDRHS-QUCCMNQESA-N 2 1 313.489 2.776 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330130 277078090 /nfs/dbraw/zinc/07/80/90/277078090.db2.gz QVEDRJBFIALDCC-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330130 277078091 /nfs/dbraw/zinc/07/80/91/277078091.db2.gz QVEDRJBFIALDCC-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330130 277078092 /nfs/dbraw/zinc/07/80/92/277078092.db2.gz QVEDRJBFIALDCC-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004611 430194470 /nfs/dbraw/zinc/19/44/70/430194470.db2.gz PVSBKVMHAZPYTN-SCTDSRPQSA-N 3 1 303.494 2.862 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000635004611 430194475 /nfs/dbraw/zinc/19/44/75/430194475.db2.gz PVSBKVMHAZPYTN-SCTDSRPQSA-N 2 1 303.494 2.862 20 0 DFADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000635000238 430189175 /nfs/dbraw/zinc/18/91/75/430189175.db2.gz JYAGHONMXHIHEG-ZBFHGGJFSA-N 2 1 306.450 2.901 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999004 430190070 /nfs/dbraw/zinc/19/00/70/430190070.db2.gz OLHLFSMCYSJXIS-TZMCWYRMSA-N 2 1 318.852 2.861 20 0 DFADMP CC(C)N1CCC[C@@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000640532285 430191173 /nfs/dbraw/zinc/19/11/73/430191173.db2.gz CPBYFOMHKSJRSJ-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532550 430191558 /nfs/dbraw/zinc/19/15/58/430191558.db2.gz SYCJDRAZAFEPGW-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000635000835 430192051 /nfs/dbraw/zinc/19/20/51/430192051.db2.gz WUPNAIBRWNWWOL-PBHICJAKSA-N 2 1 305.470 2.590 20 0 DFADMP CCCCOc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000635000790 430192329 /nfs/dbraw/zinc/19/23/29/430192329.db2.gz VRSOXILZGZXRCV-GOEBONIOSA-N 2 1 306.450 2.901 20 0 DFADMP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000635006360 430193399 /nfs/dbraw/zinc/19/33/99/430193399.db2.gz MIDPLSXYTRPXLU-WGSAOQKQSA-N 3 1 315.505 2.801 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572576 277156048 /nfs/dbraw/zinc/15/60/48/277156048.db2.gz TYLIZTDYLGBNII-MAUKXSAKSA-N 2 1 311.429 2.857 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572576 277156049 /nfs/dbraw/zinc/15/60/49/277156049.db2.gz TYLIZTDYLGBNII-MAUKXSAKSA-N 2 1 311.429 2.857 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572576 277156050 /nfs/dbraw/zinc/15/60/50/277156050.db2.gz TYLIZTDYLGBNII-MAUKXSAKSA-N 2 1 311.429 2.857 20 0 DFADMP COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000635004416 430193742 /nfs/dbraw/zinc/19/37/42/430193742.db2.gz IPUIHNJGAAPNDW-CBVHJVASSA-N 3 1 317.477 2.595 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005181 430194251 /nfs/dbraw/zinc/19/42/51/430194251.db2.gz SANNPNCOGWCJQY-XMZVIZOASA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005181 430194256 /nfs/dbraw/zinc/19/42/56/430194256.db2.gz SANNPNCOGWCJQY-XMZVIZOASA-N 2 1 301.478 2.614 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010797 430195250 /nfs/dbraw/zinc/19/52/50/430195250.db2.gz BJLNDSAKKLPQPG-UHOSZYNNSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010797 430195254 /nfs/dbraw/zinc/19/52/54/430195254.db2.gz BJLNDSAKKLPQPG-UHOSZYNNSA-N 2 1 301.478 2.547 20 0 DFADMP CC(C)[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C(C)C)C3)COC2)C1 ZINC000541999898 430197917 /nfs/dbraw/zinc/19/79/17/430197917.db2.gz FKDNIAAENGDQLD-ROUUACIJSA-N 2 1 308.510 2.959 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]CCn2ccc(C(F)(F)F)n2)c2ccccc21 ZINC000635013458 430198759 /nfs/dbraw/zinc/19/87/59/430198759.db2.gz FGQDNRPIORHZCY-QWHCGFSZSA-N 2 1 310.323 2.636 20 0 DFADMP COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162825 277239384 /nfs/dbraw/zinc/23/93/84/277239384.db2.gz TWIBGGAABZRWFV-DSLXNQLJSA-N 2 1 302.462 2.912 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)c2nc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC000542020212 430200326 /nfs/dbraw/zinc/20/03/26/430200326.db2.gz UJWJUIHSWIMMQT-SUMWQHHRSA-N 2 1 302.466 2.830 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000638051613 430219213 /nfs/dbraw/zinc/21/92/13/430219213.db2.gz MOTPABXCPPRAQT-BBRMVZONSA-N 2 1 323.868 2.591 20 0 DFADMP c1ccc([C@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000542670131 430220163 /nfs/dbraw/zinc/22/01/63/430220163.db2.gz BTFIJSSXVZGPDM-BEFAXECRSA-N 2 1 308.429 2.640 20 0 DFADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(F)c1 ZINC000638045808 430216679 /nfs/dbraw/zinc/21/66/79/430216679.db2.gz RREZIOIRRAZVFF-OAHLLOKOSA-N 2 1 308.441 2.659 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H](C)c3c[nH+]ccc3N)CC2)n1 ZINC000581800605 430241555 /nfs/dbraw/zinc/24/15/55/430241555.db2.gz SVZKUVPWPGXNIZ-QFWMXSHPSA-N 2 1 301.394 2.563 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H](C1CCCCC1)[NH+](C)C ZINC000635283312 430244348 /nfs/dbraw/zinc/24/43/48/430244348.db2.gz JOOFWFAGGAMRRP-MRXNPFEDSA-N 2 1 320.481 2.633 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134965 430247461 /nfs/dbraw/zinc/24/74/61/430247461.db2.gz QTEZSNFSLSWSRN-YOEHRIQHSA-N 2 1 318.461 2.965 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134965 430247465 /nfs/dbraw/zinc/24/74/65/430247465.db2.gz QTEZSNFSLSWSRN-YOEHRIQHSA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134965 430247468 /nfs/dbraw/zinc/24/74/68/430247468.db2.gz QTEZSNFSLSWSRN-YOEHRIQHSA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134965 430247472 /nfs/dbraw/zinc/24/74/72/430247472.db2.gz QTEZSNFSLSWSRN-YOEHRIQHSA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635399006 430267748 /nfs/dbraw/zinc/26/77/48/430267748.db2.gz DBFWSRHOZMBJFU-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccccc1Cl)C1CC1 ZINC000582176470 430274088 /nfs/dbraw/zinc/27/40/88/430274088.db2.gz VIMYPNIRPBJLDO-CQSZACIVSA-N 2 1 310.869 2.662 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c1ccccc1Cl)C1CC1 ZINC000582176470 430274093 /nfs/dbraw/zinc/27/40/93/430274093.db2.gz VIMYPNIRPBJLDO-CQSZACIVSA-N 2 1 310.869 2.662 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180957 430275817 /nfs/dbraw/zinc/27/58/17/430275817.db2.gz YJLVRJKKIYHCBJ-SOLBZPMBSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582180957 430275822 /nfs/dbraw/zinc/27/58/22/430275822.db2.gz YJLVRJKKIYHCBJ-SOLBZPMBSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000565774230 430227290 /nfs/dbraw/zinc/22/72/90/430227290.db2.gz YSOJCMIUCYXLCR-KRWDZBQOSA-N 2 1 309.498 2.680 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000565829462 430229941 /nfs/dbraw/zinc/22/99/41/430229941.db2.gz RFXSZDQZVKJXFJ-MJGOQNOKSA-N 2 1 302.462 2.842 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000565829462 430229946 /nfs/dbraw/zinc/22/99/46/430229946.db2.gz RFXSZDQZVKJXFJ-MJGOQNOKSA-N 2 1 302.462 2.842 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000638086989 430231902 /nfs/dbraw/zinc/23/19/02/430231902.db2.gz YSSJKXVBCQOBKO-KURKYZTESA-N 2 1 323.525 2.863 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnn2CC2CCC2)C[C@@H]1C ZINC000638109503 430237251 /nfs/dbraw/zinc/23/72/51/430237251.db2.gz FUWPYWJQXVTZFH-RDJZCZTQSA-N 2 1 304.482 2.988 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC(=O)N2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582414673 430297762 /nfs/dbraw/zinc/29/77/62/430297762.db2.gz VNFLVGFUIRFWHO-SNUQEOBHSA-N 2 1 301.434 2.549 20 0 DFADMP Cc1ccc(C[C@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000582449339 430300187 /nfs/dbraw/zinc/30/01/87/430300187.db2.gz XAUVWTJQVSBJSS-UYAOXDASSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000582449339 430300192 /nfs/dbraw/zinc/30/01/92/430300192.db2.gz XAUVWTJQVSBJSS-UYAOXDASSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000582449339 430300195 /nfs/dbraw/zinc/30/01/95/430300195.db2.gz XAUVWTJQVSBJSS-UYAOXDASSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000582449339 430300201 /nfs/dbraw/zinc/30/02/01/430300201.db2.gz XAUVWTJQVSBJSS-UYAOXDASSA-N 2 1 316.489 2.705 20 0 DFADMP COc1ccc(C)cc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638310504 430300887 /nfs/dbraw/zinc/30/08/87/430300887.db2.gz XSOVPCFIONBDEF-OAHLLOKOSA-N 2 1 320.477 2.890 20 0 DFADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(Cl)cc1O ZINC000638335846 430308179 /nfs/dbraw/zinc/30/81/79/430308179.db2.gz WOOZGHOVUKKCHL-LLVKDONJSA-N 2 1 323.824 2.985 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638336103 430308968 /nfs/dbraw/zinc/30/89/68/430308968.db2.gz YEPLVBBZYVTSMQ-SJLPKXTDSA-N 2 1 312.461 2.944 20 0 DFADMP CCC[NH+]1CCC(CNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000545309675 430314532 /nfs/dbraw/zinc/31/45/32/430314532.db2.gz YMLGKGNFTQLPAO-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000568166125 430322699 /nfs/dbraw/zinc/32/26/99/430322699.db2.gz DDGJUCIGXYJHTR-WBQNTZJQSA-N 2 1 310.869 2.939 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000568166125 430322706 /nfs/dbraw/zinc/32/27/06/430322706.db2.gz DDGJUCIGXYJHTR-WBQNTZJQSA-N 2 1 310.869 2.939 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C ZINC000568166125 430322709 /nfs/dbraw/zinc/32/27/09/430322709.db2.gz DDGJUCIGXYJHTR-WBQNTZJQSA-N 2 1 310.869 2.939 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000641170089 430350870 /nfs/dbraw/zinc/35/08/70/430350870.db2.gz VOEWSRFUVXMQDU-KRWDZBQOSA-N 2 1 313.449 2.667 20 0 DFADMP COC[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582757239 430330773 /nfs/dbraw/zinc/33/07/73/430330773.db2.gz DCSCCYOEZHHVPY-NEWSRXKRSA-N 2 1 302.462 2.723 20 0 DFADMP COC[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000582757239 430330777 /nfs/dbraw/zinc/33/07/77/430330777.db2.gz DCSCCYOEZHHVPY-NEWSRXKRSA-N 2 1 302.462 2.723 20 0 DFADMP CC(C)O[C@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000638410812 430333944 /nfs/dbraw/zinc/33/39/44/430333944.db2.gz CUHOREYJAKNLLH-RBUKOAKNSA-N 2 1 320.477 2.589 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CCC[C@@H]3CCO3)c2)CCO1 ZINC000638421482 430336857 /nfs/dbraw/zinc/33/68/57/430336857.db2.gz WNFBZIZMHVSTNI-VQIMIIECSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC[C@@H]3CCO3)c2)CCO1 ZINC000638421482 430336861 /nfs/dbraw/zinc/33/68/61/430336861.db2.gz WNFBZIZMHVSTNI-VQIMIIECSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC[C@H]2CCO2)cc1F ZINC000638419440 430337097 /nfs/dbraw/zinc/33/70/97/430337097.db2.gz HTARAPJQEWJPDQ-HNNXBMFYSA-N 2 1 303.381 2.979 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]CCC(=O)N2CCCCCC2)c2ccccc21 ZINC000582899381 430345125 /nfs/dbraw/zinc/34/51/25/430345125.db2.gz ZVNZLNPOIOSONT-IRXDYDNUSA-N 2 1 301.434 2.514 20 0 DFADMP Cc1cc(C)c(Cn2cc(-c3ccc(C[NH3+])cc3)nn2)c(C)[nH+]1 ZINC000641187105 430358456 /nfs/dbraw/zinc/35/84/56/430358456.db2.gz DYYLWYBQFVDNGH-UHFFFAOYSA-N 2 1 307.401 2.772 20 0 DFADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547281415 430383344 /nfs/dbraw/zinc/38/33/44/430383344.db2.gz AEIFUEDOCULHLC-MSOLQXFVSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547281415 430383347 /nfs/dbraw/zinc/38/33/47/430383347.db2.gz AEIFUEDOCULHLC-MSOLQXFVSA-N 2 1 324.896 2.953 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ns2)[C@@H](C)C1 ZINC000638595461 430383832 /nfs/dbraw/zinc/38/38/32/430383832.db2.gz SYNZXSSOQUWSEY-BBRMVZONSA-N 2 1 311.495 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ns2)[C@@H](C)C1 ZINC000638595461 430383836 /nfs/dbraw/zinc/38/38/36/430383836.db2.gz SYNZXSSOQUWSEY-BBRMVZONSA-N 2 1 311.495 2.678 20 0 DFADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000568766795 430391227 /nfs/dbraw/zinc/39/12/27/430391227.db2.gz MVNPIRLRJVEFHF-DOTOQJQBSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000583436530 430395522 /nfs/dbraw/zinc/39/55/22/430395522.db2.gz LSHZVIDROVKLDF-ZDUSSCGKSA-N 2 1 321.852 2.909 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000635880577 430402454 /nfs/dbraw/zinc/40/24/54/430402454.db2.gz GKUMSOQBCDNHOG-GFCCVEGCSA-N 2 1 309.841 2.682 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1Cl ZINC000635880577 430402456 /nfs/dbraw/zinc/40/24/56/430402456.db2.gz GKUMSOQBCDNHOG-GFCCVEGCSA-N 2 1 309.841 2.682 20 0 DFADMP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000635906359 430409215 /nfs/dbraw/zinc/40/92/15/430409215.db2.gz HQTXNPOTRSLMAZ-CVEARBPZSA-N 2 1 323.868 2.543 20 0 DFADMP CN(CCCC[NH+]1CCCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000641663340 430436879 /nfs/dbraw/zinc/43/68/79/430436879.db2.gz WPTCPLCBPULCGC-GOSISDBHSA-N 2 1 323.525 2.975 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000569357735 430447875 /nfs/dbraw/zinc/44/78/75/430447875.db2.gz ZQJWRZOQRARZAL-NCOADZHNSA-N 2 1 309.498 2.521 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469256 430456284 /nfs/dbraw/zinc/45/62/84/430456284.db2.gz RUJRFQUXAGPMAH-IPMKNSEASA-N 2 1 304.478 2.876 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469256 430456285 /nfs/dbraw/zinc/45/62/85/430456285.db2.gz RUJRFQUXAGPMAH-IPMKNSEASA-N 2 1 304.478 2.876 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469256 430456292 /nfs/dbraw/zinc/45/62/92/430456292.db2.gz RUJRFQUXAGPMAH-IPMKNSEASA-N 2 1 304.478 2.876 20 0 DFADMP Cc1nnsc1CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569488473 430458866 /nfs/dbraw/zinc/45/88/66/430458866.db2.gz AIMWSAQDYGMDPL-MRXNPFEDSA-N 2 1 316.474 2.800 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000358361342 277686251 /nfs/dbraw/zinc/68/62/51/277686251.db2.gz BNBSFYICXSHDNX-BPLDGKMQSA-N 2 1 322.415 2.932 20 0 DFADMP CCC(CC)Nc1cc[nH+]cc1NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000569624764 430472480 /nfs/dbraw/zinc/47/24/80/430472480.db2.gz YPBFJLBUNWXJRQ-KBPBESRZSA-N 2 1 318.465 2.773 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000548424029 430474196 /nfs/dbraw/zinc/47/41/96/430474196.db2.gz GKZZDOJVPYTUKW-LBPRGKRZSA-N 2 1 313.430 2.687 20 0 DFADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803367 430475518 /nfs/dbraw/zinc/47/55/18/430475518.db2.gz CCJNULLZWDYFMA-HZPDHXFCSA-N 2 1 317.477 2.529 20 0 DFADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000641803539 430475592 /nfs/dbraw/zinc/47/55/92/430475592.db2.gz SQHMPVJLFLCDOZ-STQMWFEESA-N 2 1 302.340 2.843 20 0 DFADMP CC(C)(C)c1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641803147 430476407 /nfs/dbraw/zinc/47/64/07/430476407.db2.gz ALGWITQGHAWNHD-HUUCEWRRSA-N 2 1 303.450 2.638 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000641805721 430478104 /nfs/dbraw/zinc/47/81/04/430478104.db2.gz OFNUQBSEHOSCIC-CTHBEMJXSA-N 2 1 321.490 2.516 20 0 DFADMP CCC[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)OC ZINC000638970289 430484189 /nfs/dbraw/zinc/48/41/89/430484189.db2.gz KVOYMNHWOVITRK-OALUTQOASA-N 2 1 320.477 2.548 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[N@H+](C)C3(CCCCC3)C2)c1 ZINC000569821731 430490116 /nfs/dbraw/zinc/49/01/16/430490116.db2.gz CKGORULYUHIGNH-UHFFFAOYSA-N 2 1 303.450 2.849 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[N@@H+](C)C3(CCCCC3)C2)c1 ZINC000569821731 430490120 /nfs/dbraw/zinc/49/01/20/430490120.db2.gz CKGORULYUHIGNH-UHFFFAOYSA-N 2 1 303.450 2.849 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000548716792 430494329 /nfs/dbraw/zinc/49/43/29/430494329.db2.gz GDESCYNXCJDBMO-WMZOPIPTSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000548716792 430494332 /nfs/dbraw/zinc/49/43/32/430494332.db2.gz GDESCYNXCJDBMO-WMZOPIPTSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000548716792 430494334 /nfs/dbraw/zinc/49/43/34/430494334.db2.gz GDESCYNXCJDBMO-WMZOPIPTSA-N 2 1 323.525 2.830 20 0 DFADMP CCCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)c1ccccc1OC ZINC000570408132 430540885 /nfs/dbraw/zinc/54/08/85/430540885.db2.gz WXOHHYLJAPKTEQ-HZPDHXFCSA-N 2 1 308.466 2.781 20 0 DFADMP CCC[N@H+](C[C@H](O)CN(C)CC)[C@H](C)c1ccccc1OC ZINC000570408132 430540889 /nfs/dbraw/zinc/54/08/89/430540889.db2.gz WXOHHYLJAPKTEQ-HZPDHXFCSA-N 2 1 308.466 2.781 20 0 DFADMP CCC[N@@H+](C[C@H](O)CN(C)CC)[C@H](C)c1ccccc1OC ZINC000570408132 430540890 /nfs/dbraw/zinc/54/08/90/430540890.db2.gz WXOHHYLJAPKTEQ-HZPDHXFCSA-N 2 1 308.466 2.781 20 0 DFADMP Cn1c[nH+]cc1CCCN1CCO[C@H](c2ccccc2F)C1 ZINC000570105212 430513947 /nfs/dbraw/zinc/51/39/47/430513947.db2.gz YBZRHHZLTUCUQN-KRWDZBQOSA-N 2 1 303.381 2.565 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c(Cl)cc1O ZINC000639107464 430526727 /nfs/dbraw/zinc/52/67/27/430526727.db2.gz PKZPIGLURZQUPR-LLVKDONJSA-N 2 1 321.808 2.603 20 0 DFADMP [NH3+][C@H]1CC[C@@H](C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000570329987 430532703 /nfs/dbraw/zinc/53/27/03/430532703.db2.gz QLKGJFCNZVJREO-OLZOCXBDSA-N 2 1 322.478 2.585 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3n2C)CCCO1 ZINC000639124113 430533611 /nfs/dbraw/zinc/53/36/11/430533611.db2.gz WWVAUYCHASPTKB-MRXNPFEDSA-N 2 1 315.461 2.769 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3n2C)CCCO1 ZINC000639124111 430533862 /nfs/dbraw/zinc/53/38/62/430533862.db2.gz WWVAUYCHASPTKB-INIZCTEOSA-N 2 1 315.461 2.769 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN(CCC(F)(F)F)Cc1ccccc1 ZINC000570525235 430551192 /nfs/dbraw/zinc/55/11/92/430551192.db2.gz GIMDWNFKQGWLER-OAHLLOKOSA-N 2 1 318.383 2.754 20 0 DFADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639168826 430551661 /nfs/dbraw/zinc/55/16/61/430551661.db2.gz VLJJYXQOZDTTSI-IEZWGBDMSA-N 2 1 301.478 2.894 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](CN[C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000639170511 430554110 /nfs/dbraw/zinc/55/41/10/430554110.db2.gz UDOQKZBLKXGZLY-GDBMZVCRSA-N 2 1 305.470 2.746 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CN[C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000639170511 430554112 /nfs/dbraw/zinc/55/41/12/430554112.db2.gz UDOQKZBLKXGZLY-GDBMZVCRSA-N 2 1 305.470 2.746 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639170312 430554228 /nfs/dbraw/zinc/55/42/28/430554228.db2.gz STZZEQCPIWMPEC-QZTJIDSGSA-N 2 1 301.478 2.833 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180439 430558293 /nfs/dbraw/zinc/55/82/93/430558293.db2.gz WSLIXCGGBLIAAO-ZIFCJYIRSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180439 430558299 /nfs/dbraw/zinc/55/82/99/430558299.db2.gz WSLIXCGGBLIAAO-ZIFCJYIRSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180439 430558300 /nfs/dbraw/zinc/55/83/00/430558300.db2.gz WSLIXCGGBLIAAO-ZIFCJYIRSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180439 430558305 /nfs/dbraw/zinc/55/83/05/430558305.db2.gz WSLIXCGGBLIAAO-ZIFCJYIRSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@@H]1CCN(c2ccccc2)C1 ZINC000639180439 430558308 /nfs/dbraw/zinc/55/83/08/430558308.db2.gz WSLIXCGGBLIAAO-ZIFCJYIRSA-N 2 1 301.478 2.785 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)CC2 ZINC000639177831 430558698 /nfs/dbraw/zinc/55/86/98/430558698.db2.gz HKGXEMWMHMECEK-RRQGHBQHSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)[C@H]1CC[NH+](C)C[C@@H]1C)CC2 ZINC000639177831 430558701 /nfs/dbraw/zinc/55/87/01/430558701.db2.gz HKGXEMWMHMECEK-RRQGHBQHSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@H]1CC[N@H+](C)C[C@@H]1C)CC2 ZINC000639177831 430558704 /nfs/dbraw/zinc/55/87/04/430558704.db2.gz HKGXEMWMHMECEK-RRQGHBQHSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@H]1CC[N@@H+](C)C[C@@H]1C)CC2 ZINC000639177831 430558706 /nfs/dbraw/zinc/55/87/06/430558706.db2.gz HKGXEMWMHMECEK-RRQGHBQHSA-N 2 1 318.461 2.963 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639177769 430558866 /nfs/dbraw/zinc/55/88/66/430558866.db2.gz WTNBWQMHHDFPMV-VQTJNVASSA-N 2 1 316.489 2.908 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000639192028 430563528 /nfs/dbraw/zinc/56/35/28/430563528.db2.gz OEDANHCKSZBFOM-UHOFOFEASA-N 2 1 303.450 2.983 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000570736674 430572977 /nfs/dbraw/zinc/57/29/77/430572977.db2.gz USKFMSQWNZYYAC-HXUWFJFHSA-N 2 1 316.489 2.834 20 0 DFADMP C[N@H+]1CCC[C@H](N2CCN(Cc3cccc(C4CC4)c3)CC2)C1 ZINC000643285612 430572971 /nfs/dbraw/zinc/57/29/71/430572971.db2.gz XMSNWUVFQIIXKC-FQEVSTJZSA-N 2 1 313.489 2.776 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cccc(C4CC4)c3)CC2)C1 ZINC000643285612 430572981 /nfs/dbraw/zinc/57/29/81/430572981.db2.gz XMSNWUVFQIIXKC-FQEVSTJZSA-N 2 1 313.489 2.776 20 0 DFADMP C[C@@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643295764 430575987 /nfs/dbraw/zinc/57/59/87/430575987.db2.gz PYWVERKEPXKBSV-SJLPKXTDSA-N 2 1 318.461 2.506 20 0 DFADMP CC(C)n1cc(C2=CCC[N@@H+]([C@@H]3CC[NH+](C)[C@H](C)C3)CC2)nn1 ZINC000639227712 430580050 /nfs/dbraw/zinc/58/00/50/430580050.db2.gz QFYDGFWIMUCAMN-NVXWUHKLSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[N@H+]([C@@H]3CC[NH+](C)[C@H](C)C3)CC2)nn1 ZINC000639227712 430580055 /nfs/dbraw/zinc/58/00/55/430580055.db2.gz QFYDGFWIMUCAMN-NVXWUHKLSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+]([C@@H]3CC[N@H+](C)[C@H](C)C3)CC2)nn1 ZINC000639227712 430580058 /nfs/dbraw/zinc/58/00/58/430580058.db2.gz QFYDGFWIMUCAMN-NVXWUHKLSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+]([C@@H]3CC[N@@H+](C)[C@H](C)C3)CC2)nn1 ZINC000639227712 430580062 /nfs/dbraw/zinc/58/00/62/430580062.db2.gz QFYDGFWIMUCAMN-NVXWUHKLSA-N 2 1 317.481 2.821 20 0 DFADMP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552070767 430582246 /nfs/dbraw/zinc/58/22/46/430582246.db2.gz CXRHKIMVMABYNK-QRVBRYPASA-N 2 1 317.477 2.912 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000570843759 430582920 /nfs/dbraw/zinc/58/29/20/430582920.db2.gz STTWEGUBBFRJRO-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000570843759 430582923 /nfs/dbraw/zinc/58/29/23/430582923.db2.gz STTWEGUBBFRJRO-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639242784 430584901 /nfs/dbraw/zinc/58/49/01/430584901.db2.gz SIMCDBUUVVODME-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639242803 430585199 /nfs/dbraw/zinc/58/51/99/430585199.db2.gz SJJYMSSNPSNUJF-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639242803 430585204 /nfs/dbraw/zinc/58/52/04/430585204.db2.gz SJJYMSSNPSNUJF-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000552170105 430588877 /nfs/dbraw/zinc/58/88/77/430588877.db2.gz ZDVWWDFJXMQTFI-HNNXBMFYSA-N 2 1 323.525 2.948 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639257686 430589711 /nfs/dbraw/zinc/58/97/11/430589711.db2.gz QNGNOFGMLCOVOR-MSOLQXFVSA-N 2 1 301.478 2.834 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724838 430650141 /nfs/dbraw/zinc/65/01/41/430650141.db2.gz VBTJYMGKCXBSDU-ZCNNSNEGSA-N 2 1 313.489 2.712 20 0 DFADMP COCCOc1ccccc1CNC[C@@H]1CC[N@H+](C(C)C)C1 ZINC000554882615 430654256 /nfs/dbraw/zinc/65/42/56/430654256.db2.gz LATZGLVRPYTLDZ-INIZCTEOSA-N 2 1 306.450 2.532 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000554882615 430654260 /nfs/dbraw/zinc/65/42/60/430654260.db2.gz LATZGLVRPYTLDZ-INIZCTEOSA-N 2 1 306.450 2.532 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000554882615 430654263 /nfs/dbraw/zinc/65/42/63/430654263.db2.gz LATZGLVRPYTLDZ-INIZCTEOSA-N 2 1 306.450 2.532 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000571821143 430654356 /nfs/dbraw/zinc/65/43/56/430654356.db2.gz NIMAUVMKMUTQFX-LMMKCTJWSA-N 2 1 317.477 2.692 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)[nH+]1 ZINC000639495978 430655705 /nfs/dbraw/zinc/65/57/05/430655705.db2.gz LGFYHEFZGIXQAL-HOTGVXAUSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)[nH+]1 ZINC000639495978 430655707 /nfs/dbraw/zinc/65/57/07/430655707.db2.gz LGFYHEFZGIXQAL-HOTGVXAUSA-N 2 1 303.450 2.939 20 0 DFADMP C[N@H+](Cc1cc[nH]c(=O)c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000639503543 430658477 /nfs/dbraw/zinc/65/84/77/430658477.db2.gz NBNVCVQEDUVADJ-GOSISDBHSA-N 2 1 311.429 2.741 20 0 DFADMP C[NH+](Cc1cc[nH]c(=O)c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000639503543 430658480 /nfs/dbraw/zinc/65/84/80/430658480.db2.gz NBNVCVQEDUVADJ-GOSISDBHSA-N 2 1 311.429 2.741 20 0 DFADMP CC(C)C1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000639307843 430605029 /nfs/dbraw/zinc/60/50/29/430605029.db2.gz IYJJRRMXNAYSBE-SFHVURJKSA-N 2 1 302.462 2.779 20 0 DFADMP COc1ccc([C@@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643471035 430606291 /nfs/dbraw/zinc/60/62/91/430606291.db2.gz OWMNDGCPBSCSIL-QNDJGXFYSA-N 2 1 318.461 2.629 20 0 DFADMP Cn1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643481109 430607186 /nfs/dbraw/zinc/60/71/86/430607186.db2.gz QYOJAWWSXPHCEZ-DJIMGWMZSA-N 2 1 312.461 2.974 20 0 DFADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000643493947 430608908 /nfs/dbraw/zinc/60/89/08/430608908.db2.gz QTFBCHBXQDZKCA-VNQPRFMTSA-N 2 1 318.465 2.617 20 0 DFADMP C[C@@H]1[C@H](NC[C@@H]2CCCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000643502241 430610039 /nfs/dbraw/zinc/61/00/39/430610039.db2.gz AVAVLHIHALQQFA-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@@H](NC[C@H]2CCCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000643502242 430610059 /nfs/dbraw/zinc/61/00/59/430610059.db2.gz AVAVLHIHALQQFA-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP COc1ccc(C[C@H]([NH2+]C[C@@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000643528472 430613038 /nfs/dbraw/zinc/61/30/38/430613038.db2.gz JWSYHCNRQGUHMK-KUHUBIRLSA-N 2 1 314.429 2.924 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000643522581 430613644 /nfs/dbraw/zinc/61/36/44/430613644.db2.gz POKRBXIIBNWUCY-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000643522581 430613646 /nfs/dbraw/zinc/61/36/46/430613646.db2.gz POKRBXIIBNWUCY-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643537074 430614521 /nfs/dbraw/zinc/61/45/21/430614521.db2.gz YSYHRMFMWFUNMF-RDTXWAMCSA-N 3 1 310.445 2.973 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639358805 430619652 /nfs/dbraw/zinc/61/96/52/430619652.db2.gz DMSFEZDGEWLVBS-OVZGMEQFSA-N 2 1 324.472 2.944 20 0 DFADMP COC[C@@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571448223 430629056 /nfs/dbraw/zinc/62/90/56/430629056.db2.gz XKUDGRBWYWSKGZ-PKOBYXMFSA-N 2 1 302.462 2.867 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000571445907 430629407 /nfs/dbraw/zinc/62/94/07/430629407.db2.gz XKLIDOXXGVUOFU-UHFFFAOYSA-N 2 1 312.339 2.672 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)cc2O1 ZINC000643773691 430630650 /nfs/dbraw/zinc/63/06/50/430630650.db2.gz OPOBGVUZNAZHKR-GFCCVEGCSA-N 2 1 321.327 2.557 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000554376654 430635034 /nfs/dbraw/zinc/63/50/34/430635034.db2.gz DIGGZONSWZTHJB-WDSOQIARSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000554376654 430635037 /nfs/dbraw/zinc/63/50/37/430635037.db2.gz DIGGZONSWZTHJB-WDSOQIARSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000571722137 430647729 /nfs/dbraw/zinc/64/77/29/430647729.db2.gz ZSSAXCDVYAXFSH-INIZCTEOSA-N 2 1 323.525 2.734 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000571938899 430663322 /nfs/dbraw/zinc/66/33/22/430663322.db2.gz MHDLBTVEGAKBCO-DLBZAZTESA-N 2 1 309.498 2.584 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000555427988 430668063 /nfs/dbraw/zinc/66/80/63/430668063.db2.gz ZRIXDDYWZLHRQG-ZBRFXRBCSA-N 2 1 312.498 2.669 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](Cc1cccc3c1CCOC3)CC2 ZINC000639558954 430670965 /nfs/dbraw/zinc/67/09/65/430670965.db2.gz LRGLLTNMOOQNFX-UHFFFAOYSA-N 2 1 300.446 2.820 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](Cc1cccc3c1CCOC3)CC2 ZINC000639558954 430670967 /nfs/dbraw/zinc/67/09/67/430670967.db2.gz LRGLLTNMOOQNFX-UHFFFAOYSA-N 2 1 300.446 2.820 20 0 DFADMP C[C@@H]1COCC[N@@H+]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000555878203 430675495 /nfs/dbraw/zinc/67/54/95/430675495.db2.gz IDMJPADIEMJGIM-CYBMUJFWSA-N 2 1 308.388 2.904 20 0 DFADMP C[C@@H]1COCC[N@H+]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000555878203 430675496 /nfs/dbraw/zinc/67/54/96/430675496.db2.gz IDMJPADIEMJGIM-CYBMUJFWSA-N 2 1 308.388 2.904 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cc[nH]c(=O)c3)C1)CCCC2 ZINC000639598036 430678355 /nfs/dbraw/zinc/67/83/55/430678355.db2.gz NESLWHISVBZNMM-HNNXBMFYSA-N 2 1 312.417 2.618 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cc[nH]c(=O)c3)C1)CCCC2 ZINC000639598036 430678358 /nfs/dbraw/zinc/67/83/58/430678358.db2.gz NESLWHISVBZNMM-HNNXBMFYSA-N 2 1 312.417 2.618 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000367402130 277996427 /nfs/dbraw/zinc/99/64/27/277996427.db2.gz POCZSOSPUXEGRR-FZMZJTMJSA-N 2 1 301.365 2.623 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000367337195 278026036 /nfs/dbraw/zinc/02/60/36/278026036.db2.gz YDMNYFJPQAYRKZ-HYJFEMIMSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000367337195 278026039 /nfs/dbraw/zinc/02/60/39/278026039.db2.gz YDMNYFJPQAYRKZ-HYJFEMIMSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000367337195 278026040 /nfs/dbraw/zinc/02/60/40/278026040.db2.gz YDMNYFJPQAYRKZ-HYJFEMIMSA-N 2 1 313.489 2.894 20 0 DFADMP COc1cccc2c1CC[N@@H+](CCC[NH+]1CCCCC1)CC2 ZINC000193710369 278027546 /nfs/dbraw/zinc/02/75/46/278027546.db2.gz KDXNVOUPFKIPCB-UHFFFAOYSA-N 2 1 302.462 2.972 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000572393656 430685651 /nfs/dbraw/zinc/68/56/51/430685651.db2.gz SHNDOEYGSMDDAT-KGYLQXTDSA-N 2 1 322.396 2.644 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[C@@H]1c1cccs1 ZINC000572393656 430685653 /nfs/dbraw/zinc/68/56/53/430685653.db2.gz SHNDOEYGSMDDAT-KGYLQXTDSA-N 2 1 322.396 2.644 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000572392068 430685758 /nfs/dbraw/zinc/68/57/58/430685758.db2.gz HKGAZYYLNKCIIJ-BRWVUGGUSA-N 2 1 323.525 2.911 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000572398904 430686385 /nfs/dbraw/zinc/68/63/85/430686385.db2.gz HTQZSTQHDNXJGF-ZBFHGGJFSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000572398904 430686386 /nfs/dbraw/zinc/68/63/86/430686386.db2.gz HTQZSTQHDNXJGF-ZBFHGGJFSA-N 2 1 321.465 2.881 20 0 DFADMP C[C@@H](C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccccc1 ZINC000246949437 278240612 /nfs/dbraw/zinc/24/06/12/278240612.db2.gz CTAWEMPXJLOKGH-IRXDYDNUSA-N 2 1 304.478 2.815 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn(CC(F)F)c2)CC1 ZINC000556800905 430693074 /nfs/dbraw/zinc/69/30/74/430693074.db2.gz MGICZNFVFGBJOD-UHFFFAOYSA-N 2 1 314.424 2.700 20 0 DFADMP C[C@@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000248177992 278285983 /nfs/dbraw/zinc/28/59/83/278285983.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000248177992 278285984 /nfs/dbraw/zinc/28/59/84/278285984.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](CN[C@@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000248177992 278285985 /nfs/dbraw/zinc/28/59/85/278285985.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177992 278285986 /nfs/dbraw/zinc/28/59/86/278285986.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177992 278285987 /nfs/dbraw/zinc/28/59/87/278285987.db2.gz VXLXETCUIYUADR-VXIBKDFQSA-N 2 1 303.494 2.825 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000572767736 430696924 /nfs/dbraw/zinc/69/69/24/430696924.db2.gz KJHXSBAJJHPPRB-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000572896580 430697921 /nfs/dbraw/zinc/69/79/21/430697921.db2.gz WVQRWXALRIXDEL-SJLPKXTDSA-N 2 1 304.478 2.789 20 0 DFADMP CC(C)O[C@@H]1CC[NH+]([C@H](C)CC[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000572957410 430698603 /nfs/dbraw/zinc/69/86/03/430698603.db2.gz APHHULNSTOOYEH-KZNAEPCWSA-N 2 1 312.498 2.764 20 0 DFADMP CC(C)O[C@@H]1CC[NH+](CC[C@@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000572957410 430698604 /nfs/dbraw/zinc/69/86/04/430698604.db2.gz APHHULNSTOOYEH-KZNAEPCWSA-N 2 1 312.498 2.764 20 0 DFADMP CC(C)O[C@@H]1CC[NH+](CC[C@@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000572957410 430698605 /nfs/dbraw/zinc/69/86/05/430698605.db2.gz APHHULNSTOOYEH-KZNAEPCWSA-N 2 1 312.498 2.764 20 0 DFADMP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCC2 ZINC000657710892 430715989 /nfs/dbraw/zinc/71/59/89/430715989.db2.gz YMNQBJFBTHTYKL-RTBURBONSA-N 2 1 314.473 2.587 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000657710598 430717634 /nfs/dbraw/zinc/71/76/34/430717634.db2.gz WZFPAKASOZSPPV-OWYHZJEWSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H](O)C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000657710598 430717639 /nfs/dbraw/zinc/71/76/39/430717639.db2.gz WZFPAKASOZSPPV-OWYHZJEWSA-N 2 1 314.473 2.933 20 0 DFADMP Clc1sccc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657750556 430724959 /nfs/dbraw/zinc/72/49/59/430724959.db2.gz BFFPYXMUERNTQH-CYBMUJFWSA-N 2 1 300.855 2.744 20 0 DFADMP Fc1cc(Cl)cc(CNC2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657753286 430726327 /nfs/dbraw/zinc/72/63/27/430726327.db2.gz WINXVBAZKSOYBA-MRXNPFEDSA-N 2 1 312.816 2.822 20 0 DFADMP COC[C@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774577 430731130 /nfs/dbraw/zinc/73/11/30/430731130.db2.gz ZSASIOYOVXPVBE-WMZOPIPTSA-N 2 1 302.462 2.913 20 0 DFADMP COC[C@@H](C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774571 430732552 /nfs/dbraw/zinc/73/25/52/430732552.db2.gz ZSASIOYOVXPVBE-AEFFLSMTSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644513251 430738988 /nfs/dbraw/zinc/73/89/88/430738988.db2.gz FNFCRAHDYRMITK-XLIONFOSSA-N 2 1 312.457 2.873 20 0 DFADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644513251 430738994 /nfs/dbraw/zinc/73/89/94/430738994.db2.gz FNFCRAHDYRMITK-XLIONFOSSA-N 2 1 312.457 2.873 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000651221706 430742659 /nfs/dbraw/zinc/74/26/59/430742659.db2.gz CIIUGMUSGZWCFT-FQEVSTJZSA-N 2 1 315.505 2.551 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000644540649 430747622 /nfs/dbraw/zinc/74/76/22/430747622.db2.gz WSAMRROZLINEDJ-KRWDZBQOSA-N 2 1 322.880 2.806 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000644540649 430747627 /nfs/dbraw/zinc/74/76/27/430747627.db2.gz WSAMRROZLINEDJ-KRWDZBQOSA-N 2 1 322.880 2.806 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000657875359 430759104 /nfs/dbraw/zinc/75/91/04/430759104.db2.gz CLMOEQRKRFAOAI-VXGBXAGGSA-N 2 1 312.255 2.837 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000657875359 430759108 /nfs/dbraw/zinc/75/91/08/430759108.db2.gz CLMOEQRKRFAOAI-VXGBXAGGSA-N 2 1 312.255 2.837 20 0 DFADMP CC(C)[C@@H]1[N@@H+](C[C@@H](O)CN(C)Cc2ccccc2)CC12CCC2 ZINC000644608575 430766082 /nfs/dbraw/zinc/76/60/82/430766082.db2.gz OVETXTDTZGKMCT-OALUTQOASA-N 2 1 316.489 2.990 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000648406034 430775834 /nfs/dbraw/zinc/77/58/34/430775834.db2.gz AFHXDYLFHODQHB-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657999342 430784078 /nfs/dbraw/zinc/78/40/78/430784078.db2.gz UKFZVAHHQZKJRU-MSOLQXFVSA-N 2 1 300.446 2.810 20 0 DFADMP Cc1csc(CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000644658481 430780049 /nfs/dbraw/zinc/78/00/49/430780049.db2.gz LRCVPYGSIWVILL-MRXNPFEDSA-N 2 1 304.459 2.639 20 0 DFADMP Cc1csc(CNC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000644658481 430780056 /nfs/dbraw/zinc/78/00/56/430780056.db2.gz LRCVPYGSIWVILL-MRXNPFEDSA-N 2 1 304.459 2.639 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cnccc2C)[C@H](C)C1 ZINC000658126456 430818837 /nfs/dbraw/zinc/81/88/37/430818837.db2.gz MGMQKKLNQPEOIF-IEBWSBKVSA-N 2 1 319.493 2.659 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C1 ZINC000658136324 430820894 /nfs/dbraw/zinc/82/08/94/430820894.db2.gz HVCJOZWDBMQEPW-MSOLQXFVSA-N 2 1 320.502 2.629 20 0 DFADMP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658140350 430822853 /nfs/dbraw/zinc/82/28/53/430822853.db2.gz PZZNQKRZHZBRNE-ROUUACIJSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658139899 430823036 /nfs/dbraw/zinc/82/30/36/430823036.db2.gz NZGSJBWPMHILRD-MOPGFXCFSA-N 2 1 302.462 2.777 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)C1 ZINC000658139307 430823249 /nfs/dbraw/zinc/82/32/49/430823249.db2.gz QNARDTOKSQPNMJ-QZTJIDSGSA-N 2 1 300.446 2.676 20 0 DFADMP C[NH+](C)CC(C)(C)NCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000651605262 430828563 /nfs/dbraw/zinc/82/85/63/430828563.db2.gz ONGBQANYJAURMT-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP COc1cc(OC)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1F ZINC000651632002 430834996 /nfs/dbraw/zinc/83/49/96/430834996.db2.gz BTRFRZJFNHHXEQ-UHFFFAOYSA-N 2 1 310.413 2.617 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2CCC3)CC1 ZINC000651634787 430836172 /nfs/dbraw/zinc/83/61/72/430836172.db2.gz BTXNDQSZYDEGEJ-INIZCTEOSA-N 2 1 316.489 2.700 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665634 430798387 /nfs/dbraw/zinc/79/83/87/430798387.db2.gz LEEDOXARLVEKCJ-GBESFXJTSA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665634 430798391 /nfs/dbraw/zinc/79/83/91/430798391.db2.gz LEEDOXARLVEKCJ-GBESFXJTSA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665634 430798394 /nfs/dbraw/zinc/79/83/94/430798394.db2.gz LEEDOXARLVEKCJ-GBESFXJTSA-N 2 1 302.462 2.569 20 0 DFADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000658089043 430806658 /nfs/dbraw/zinc/80/66/58/430806658.db2.gz WTZHGCXTLDHBIO-RAFMOHDBSA-N 2 1 314.473 2.933 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000651694189 430851732 /nfs/dbraw/zinc/85/17/32/430851732.db2.gz UNQPHECDHXGBHL-OAHLLOKOSA-N 2 1 300.450 2.919 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658253141 430853529 /nfs/dbraw/zinc/85/35/29/430853529.db2.gz STKULDUGXHKSTQ-KANFNMMFSA-N 2 1 314.473 2.790 20 0 DFADMP CCc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000651710407 430855366 /nfs/dbraw/zinc/85/53/66/430855366.db2.gz AAPCHRKSXBLSAF-LJQANCHMSA-N 2 1 302.462 2.982 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000644889009 430857522 /nfs/dbraw/zinc/85/75/22/430857522.db2.gz FIWBSZWZSRRUHU-HNNXBMFYSA-N 2 1 321.428 2.636 20 0 DFADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000665298664 430889299 /nfs/dbraw/zinc/88/92/99/430889299.db2.gz ZRDWAWGDPJJVEF-JCHJZTRSSA-N 2 1 301.478 2.627 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000648717358 430868944 /nfs/dbraw/zinc/86/89/44/430868944.db2.gz VKGPMNQQAADUSG-CVEARBPZSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000648717358 430868951 /nfs/dbraw/zinc/86/89/51/430868951.db2.gz VKGPMNQQAADUSG-CVEARBPZSA-N 2 1 320.481 2.777 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)CCCOC)cc1 ZINC000665255521 430871816 /nfs/dbraw/zinc/87/18/16/430871816.db2.gz VFDNNVIAFJZXEJ-SNRMKQJTSA-N 2 1 320.477 2.936 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000665257524 430872239 /nfs/dbraw/zinc/87/22/39/430872239.db2.gz LVWIQGNWNYWYOT-OXXUSNJHSA-N 2 1 306.425 2.676 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccsc1 ZINC000648733466 430874020 /nfs/dbraw/zinc/87/40/20/430874020.db2.gz VBJNLIUWJGCETE-FVQBIDKESA-N 2 1 323.506 2.587 20 0 DFADMP Cc1ccc2oc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)cc2c1 ZINC000665261931 430874213 /nfs/dbraw/zinc/87/42/13/430874213.db2.gz ORPWEWLBTXKJJH-KZNAEPCWSA-N 2 1 314.429 2.988 20 0 DFADMP COCc1csc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000665263068 430875351 /nfs/dbraw/zinc/87/53/51/430875351.db2.gz FWCQPZAPBVUZGX-GUYCJALGSA-N 2 1 304.459 2.943 20 0 DFADMP Cc1cc(Br)c(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000665266439 430876998 /nfs/dbraw/zinc/87/69/98/430876998.db2.gz BBROIGUUOIOGHH-NXEZZACHSA-N 2 1 303.269 2.907 20 0 DFADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1(C)C ZINC000648742490 430878424 /nfs/dbraw/zinc/87/84/24/430878424.db2.gz NHMXSZJJIZMGLL-GOSISDBHSA-N 2 1 320.477 2.874 20 0 DFADMP FC1(F)CC12CCC([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC2 ZINC000665274203 430878688 /nfs/dbraw/zinc/87/86/88/430878688.db2.gz LQKQBICZVMEWNI-ZHGALXRWSA-N 2 1 314.420 2.701 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000665273909 430879362 /nfs/dbraw/zinc/87/93/62/430879362.db2.gz GNCYBXRQXVMJIZ-WDSOQIARSA-N 2 1 317.477 2.562 20 0 DFADMP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000665281200 430881945 /nfs/dbraw/zinc/88/19/45/430881945.db2.gz XARMDJHDBABZIF-BHIYHBOVSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000665281200 430881948 /nfs/dbraw/zinc/88/19/48/430881948.db2.gz XARMDJHDBABZIF-BHIYHBOVSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000665281200 430881955 /nfs/dbraw/zinc/88/19/55/430881955.db2.gz XARMDJHDBABZIF-BHIYHBOVSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000665281200 430881960 /nfs/dbraw/zinc/88/19/60/430881960.db2.gz XARMDJHDBABZIF-BHIYHBOVSA-N 2 1 303.494 2.860 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000648755243 430882333 /nfs/dbraw/zinc/88/23/33/430882333.db2.gz UXHQBBMSVSNBBK-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000648755243 430882336 /nfs/dbraw/zinc/88/23/36/430882336.db2.gz UXHQBBMSVSNBBK-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658349380 430883147 /nfs/dbraw/zinc/88/31/47/430883147.db2.gz SVZPXQYWQNXAJT-LWYYNNOASA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665284069 430884701 /nfs/dbraw/zinc/88/47/01/430884701.db2.gz ZXSSVIDVYUZDDY-GHMZBOCLSA-N 2 1 302.340 2.905 20 0 DFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1F ZINC000665161983 430840914 /nfs/dbraw/zinc/84/09/14/430840914.db2.gz LUIOTVLIADDPKA-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1F ZINC000665161983 430840921 /nfs/dbraw/zinc/84/09/21/430840921.db2.gz LUIOTVLIADDPKA-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299913 430890591 /nfs/dbraw/zinc/89/05/91/430890591.db2.gz VILFNBNLIUCBCB-PBHICJAKSA-N 3 1 316.493 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299913 430890594 /nfs/dbraw/zinc/89/05/94/430890594.db2.gz VILFNBNLIUCBCB-PBHICJAKSA-N 2 1 316.493 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299913 430890599 /nfs/dbraw/zinc/89/05/99/430890599.db2.gz VILFNBNLIUCBCB-PBHICJAKSA-N 2 1 316.493 2.621 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000648784071 430892268 /nfs/dbraw/zinc/89/22/68/430892268.db2.gz AZUZJYHFKXYYAQ-HZPDHXFCSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000648784071 430892271 /nfs/dbraw/zinc/89/22/71/430892271.db2.gz AZUZJYHFKXYYAQ-HZPDHXFCSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000651866392 430899625 /nfs/dbraw/zinc/89/96/25/430899625.db2.gz CGPFDEUJIXTHGR-UHFFFAOYSA-N 2 1 315.465 2.550 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1ccncc1 ZINC000651866392 430899627 /nfs/dbraw/zinc/89/96/27/430899627.db2.gz CGPFDEUJIXTHGR-UHFFFAOYSA-N 2 1 315.465 2.550 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000648844969 430910610 /nfs/dbraw/zinc/91/06/10/430910610.db2.gz GMPVIAAJGLCILL-CABCVRRESA-N 2 1 320.481 2.585 20 0 DFADMP CC[N@@H+](CCC[NH2+]C[C@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000651909547 430913269 /nfs/dbraw/zinc/91/32/69/430913269.db2.gz NZAZTOCDAKYCSZ-INIZCTEOSA-N 2 1 319.497 2.559 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000648878913 430923914 /nfs/dbraw/zinc/92/39/14/430923914.db2.gz OFNAPQVQPROMBK-OAHLLOKOSA-N 2 1 320.481 2.635 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[NH+]1CCCCC1 ZINC000655348566 430971574 /nfs/dbraw/zinc/97/15/74/430971574.db2.gz BZJOXLHHELASOX-FGTMMUONSA-N 2 1 321.509 2.630 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000662156004 430983486 /nfs/dbraw/zinc/98/34/86/430983486.db2.gz KCYAKKIFZATSAX-IEBWSBKVSA-N 2 1 300.446 2.595 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)CO2 ZINC000652222409 430992857 /nfs/dbraw/zinc/99/28/57/430992857.db2.gz NVWZBBKNTBKJNW-INIZCTEOSA-N 2 1 306.450 2.566 20 0 DFADMP CCC(C)(C)[NH+]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000655409887 430996048 /nfs/dbraw/zinc/99/60/48/430996048.db2.gz KTLAVFZVXWPTQD-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000662222064 431003552 /nfs/dbraw/zinc/00/35/52/431003552.db2.gz DWWLYFXYKNULTN-QGZVFWFLSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249018 431012153 /nfs/dbraw/zinc/01/21/53/431012153.db2.gz NJVKTWBJWXJDPF-DZGCQCFKSA-N 2 1 300.402 2.947 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258322 431020282 /nfs/dbraw/zinc/02/02/82/431020282.db2.gz VSPYBNCKZHGAOQ-ROUUACIJSA-N 2 1 302.462 2.769 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263570 431022645 /nfs/dbraw/zinc/02/26/45/431022645.db2.gz NKPDAJMHOURFGK-YJBOKZPZSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263570 431022650 /nfs/dbraw/zinc/02/26/50/431022650.db2.gz NKPDAJMHOURFGK-YJBOKZPZSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263570 431022654 /nfs/dbraw/zinc/02/26/54/431022654.db2.gz NKPDAJMHOURFGK-YJBOKZPZSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263570 431022657 /nfs/dbraw/zinc/02/26/57/431022657.db2.gz NKPDAJMHOURFGK-YJBOKZPZSA-N 2 1 301.478 2.637 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263570 431022663 /nfs/dbraw/zinc/02/26/63/431022663.db2.gz NKPDAJMHOURFGK-YJBOKZPZSA-N 2 1 301.478 2.637 20 0 DFADMP C[C@@H](CC[N@H+](C)CC1=CCSC1)[NH+](C)CC1=CCSC1 ZINC000662268005 431023343 /nfs/dbraw/zinc/02/33/43/431023343.db2.gz LTZODWLCIYQPJN-AWEZNQCLSA-N 2 1 312.548 2.975 20 0 DFADMP C[C@@H](CC[N@@H+](C)CC1=CCSC1)[NH+](C)CC1=CCSC1 ZINC000662268005 431023347 /nfs/dbraw/zinc/02/33/47/431023347.db2.gz LTZODWLCIYQPJN-AWEZNQCLSA-N 2 1 312.548 2.975 20 0 DFADMP C[C@@H](CC[NH+](C)CC1=CCSC1)[N@H+](C)CC1=CCSC1 ZINC000662268005 431023353 /nfs/dbraw/zinc/02/33/53/431023353.db2.gz LTZODWLCIYQPJN-AWEZNQCLSA-N 2 1 312.548 2.975 20 0 DFADMP C[C@@H](CC[NH+](C)CC1=CCSC1)[N@@H+](C)CC1=CCSC1 ZINC000662268005 431023357 /nfs/dbraw/zinc/02/33/57/431023357.db2.gz LTZODWLCIYQPJN-AWEZNQCLSA-N 2 1 312.548 2.975 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000662267707 431024437 /nfs/dbraw/zinc/02/44/37/431024437.db2.gz YBIAWLKUALQFBC-JQFCIGGWSA-N 2 1 313.401 2.519 20 0 DFADMP CC[C@@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000662272127 431027533 /nfs/dbraw/zinc/02/75/33/431027533.db2.gz KJSGIWZMGFZWTJ-CHWSQXEVSA-N 2 1 312.360 2.610 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)C1 ZINC000652350082 431028433 /nfs/dbraw/zinc/02/84/33/431028433.db2.gz FHGRUKWRBASKNI-QRVBRYPASA-N 2 1 324.509 2.802 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCOc3ccccc3)C2)C1 ZINC000652346812 431028757 /nfs/dbraw/zinc/02/87/57/431028757.db2.gz IPWQSRPWGNAIDG-LMMKCTJWSA-N 2 1 318.461 2.674 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1CC[NH3+] ZINC000652355219 431029574 /nfs/dbraw/zinc/02/95/74/431029574.db2.gz RMDBWMSLUBJTDW-KBXCAEBGSA-N 2 1 316.424 2.961 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1CC[NH3+] ZINC000652355219 431029580 /nfs/dbraw/zinc/02/95/80/431029580.db2.gz RMDBWMSLUBJTDW-KBXCAEBGSA-N 2 1 316.424 2.961 20 0 DFADMP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354418 431030082 /nfs/dbraw/zinc/03/00/82/431030082.db2.gz XUBHXGNFIKUIDV-CJNGLKHVSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354418 431030087 /nfs/dbraw/zinc/03/00/87/431030087.db2.gz XUBHXGNFIKUIDV-CJNGLKHVSA-N 2 1 321.490 2.796 20 0 DFADMP c1ccc2c(CC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)nsc2c1 ZINC000662277273 431030599 /nfs/dbraw/zinc/03/05/99/431030599.db2.gz PBHVKDDTRUOEIO-QGZVFWFLSA-N 2 1 301.459 2.914 20 0 DFADMP c1ccc2c(CC[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)nsc2c1 ZINC000662277273 431030605 /nfs/dbraw/zinc/03/06/05/431030605.db2.gz PBHVKDDTRUOEIO-QGZVFWFLSA-N 2 1 301.459 2.914 20 0 DFADMP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354417 431030684 /nfs/dbraw/zinc/03/06/84/431030684.db2.gz XUBHXGNFIKUIDV-BBRMVZONSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354417 431030689 /nfs/dbraw/zinc/03/06/89/431030689.db2.gz XUBHXGNFIKUIDV-BBRMVZONSA-N 2 1 321.490 2.796 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)on2)cc1 ZINC000662282728 431031920 /nfs/dbraw/zinc/03/19/20/431031920.db2.gz QFWRSTGZNJEBQK-UKRRQHHQSA-N 2 1 315.417 2.767 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)on2)cc1 ZINC000662282728 431031924 /nfs/dbraw/zinc/03/19/24/431031924.db2.gz QFWRSTGZNJEBQK-UKRRQHHQSA-N 2 1 315.417 2.767 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCOc2ccccc2)C1 ZINC000652361756 431032351 /nfs/dbraw/zinc/03/23/51/431032351.db2.gz OOINDMQIWOSVHY-QRQLOZEOSA-N 2 1 318.461 2.816 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000662388905 431069506 /nfs/dbraw/zinc/06/95/06/431069506.db2.gz PWMXAHCBGRKIJQ-IRXDYDNUSA-N 2 1 311.514 2.768 20 0 DFADMP c1ccc(CCC[C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283566 431033244 /nfs/dbraw/zinc/03/32/44/431033244.db2.gz AONOQTKDXBDXPW-RBUKOAKNSA-N 2 1 314.473 2.995 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000652364145 431033548 /nfs/dbraw/zinc/03/35/48/431033548.db2.gz ZLZVKNQIUIXLLL-KURKYZTESA-N 2 1 303.450 2.559 20 0 DFADMP C(c1nc(C2CCCC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293882 431034220 /nfs/dbraw/zinc/03/42/20/431034220.db2.gz UPXPVFJOJLIOOX-INIZCTEOSA-N 2 1 318.465 2.939 20 0 DFADMP c1coc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662291421 431034813 /nfs/dbraw/zinc/03/48/13/431034813.db2.gz RXMQFRKKSCKEOK-CQSZACIVSA-N 2 1 316.405 2.541 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)C1CCCCC1 ZINC000662285077 431035147 /nfs/dbraw/zinc/03/51/47/431035147.db2.gz WEMNTHOCXBOAEQ-ZSYWTGECSA-N 2 1 324.509 2.943 20 0 DFADMP c1ccc(COCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662292186 431036259 /nfs/dbraw/zinc/03/62/59/431036259.db2.gz BXGVCFBXAGKKHK-LJQANCHMSA-N 2 1 302.462 2.915 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296219 431038439 /nfs/dbraw/zinc/03/84/39/431038439.db2.gz YGRGVGCPVMZSTD-QGZVFWFLSA-N 2 1 315.461 2.645 20 0 DFADMP FC(F)(F)c1ccnc([C@@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000662306061 431040202 /nfs/dbraw/zinc/04/02/02/431040202.db2.gz WPDBGDYHSJNZIP-RYUDHWBXSA-N 2 1 314.355 2.632 20 0 DFADMP FC(F)(F)c1ccnc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000662306061 431040205 /nfs/dbraw/zinc/04/02/05/431040205.db2.gz WPDBGDYHSJNZIP-RYUDHWBXSA-N 2 1 314.355 2.632 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662312921 431042799 /nfs/dbraw/zinc/04/27/99/431042799.db2.gz ATVHQBNOSOFJMG-NVXWUHKLSA-N 2 1 303.450 2.773 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@@H]1CCC[NH3+] ZINC000662316665 431044854 /nfs/dbraw/zinc/04/48/54/431044854.db2.gz LRVMIGZOLCVUBW-NVXWUHKLSA-N 2 1 314.477 2.955 20 0 DFADMP CCO[C@@H](C)c1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662313758 431044904 /nfs/dbraw/zinc/04/49/04/431044904.db2.gz LWLWRTWYJJUBOU-HZSPNIEDSA-N 2 1 310.442 2.507 20 0 DFADMP CN(CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662325307 431045736 /nfs/dbraw/zinc/04/57/36/431045736.db2.gz DPXLUPJVSBUGBG-LJQANCHMSA-N 2 1 319.493 2.556 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC2CCC(F)(F)CC2)CCO1 ZINC000662325761 431046389 /nfs/dbraw/zinc/04/63/89/431046389.db2.gz JMVILIGVLRRJRC-HNNXBMFYSA-N 2 1 304.425 2.855 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCC2CCOCC2)CCO1 ZINC000662324508 431047026 /nfs/dbraw/zinc/04/70/26/431047026.db2.gz XCVLTOKOAPYJFF-GOSISDBHSA-N 2 1 312.498 2.626 20 0 DFADMP COc1cccc([C@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319175 431047550 /nfs/dbraw/zinc/04/75/50/431047550.db2.gz GCTXSOSQFBLZOG-MAUKXSAKSA-N 2 1 306.450 2.799 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319175 431047554 /nfs/dbraw/zinc/04/75/54/431047554.db2.gz GCTXSOSQFBLZOG-MAUKXSAKSA-N 2 1 306.450 2.799 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2ccccc2Cl)CCO1 ZINC000662320632 431047726 /nfs/dbraw/zinc/04/77/26/431047726.db2.gz DDTBCPVBVMDYIP-MRXNPFEDSA-N 2 1 310.869 2.925 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2ccccc2Cl)CCO1 ZINC000662320632 431047731 /nfs/dbraw/zinc/04/77/31/431047731.db2.gz DDTBCPVBVMDYIP-MRXNPFEDSA-N 2 1 310.869 2.925 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCc2cccc(F)c2)CCO1 ZINC000662325848 431048040 /nfs/dbraw/zinc/04/80/40/431048040.db2.gz QVBPCKUCWKFEBB-SFHVURJKSA-N 2 1 308.441 2.801 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@](C)(C(F)F)O1 ZINC000662335579 431052056 /nfs/dbraw/zinc/05/20/56/431052056.db2.gz OHNUKXXAOXDOOE-PXAZEXFGSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@@](C)(C(F)F)O1 ZINC000662335579 431052059 /nfs/dbraw/zinc/05/20/59/431052059.db2.gz OHNUKXXAOXDOOE-PXAZEXFGSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000649293579 431056839 /nfs/dbraw/zinc/05/68/39/431056839.db2.gz YXPMOVNSSSTBDQ-WWGRRREGSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000649293579 431056844 /nfs/dbraw/zinc/05/68/44/431056844.db2.gz YXPMOVNSSSTBDQ-WWGRRREGSA-N 2 1 323.868 2.719 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCC(C)(C)[NH3+] ZINC000649288911 431057269 /nfs/dbraw/zinc/05/72/69/431057269.db2.gz WJJCUAKKZZEQOE-UHFFFAOYSA-N 2 1 305.466 2.661 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000649310915 431062944 /nfs/dbraw/zinc/06/29/44/431062944.db2.gz NLDJHAYSCSGLLV-KURKYZTESA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000659284299 431012937 /nfs/dbraw/zinc/01/29/37/431012937.db2.gz CZYKCCPAYSCTDY-MRXNPFEDSA-N 2 1 317.477 2.675 20 0 DFADMP CC[N@H+](Cc1ccc(Cl)s1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248781 431013369 /nfs/dbraw/zinc/01/33/69/431013369.db2.gz JHLOZLKRPSWPCE-LLVKDONJSA-N 2 1 300.855 2.744 20 0 DFADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254822 431015130 /nfs/dbraw/zinc/01/51/30/431015130.db2.gz ADWDZXGMKJDYLK-UNEWFSDZSA-N 2 1 304.409 2.525 20 0 DFADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254821 431015340 /nfs/dbraw/zinc/01/53/40/431015340.db2.gz ADWDZXGMKJDYLK-UKPHBRMFSA-N 2 1 304.409 2.525 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CO)CCF)CC1 ZINC000652302176 431016468 /nfs/dbraw/zinc/01/64/68/431016468.db2.gz RRJLLNAWKUAALP-LXPRWKDFSA-N 2 1 308.441 2.740 20 0 DFADMP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254789 431016543 /nfs/dbraw/zinc/01/65/43/431016543.db2.gz MBKOSIXPNLELHV-MSOLQXFVSA-N 2 1 300.446 2.561 20 0 DFADMP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259135 431018940 /nfs/dbraw/zinc/01/89/40/431018940.db2.gz QRIRJTWYSMAUBP-STQMWFEESA-N 2 1 317.458 2.810 20 0 DFADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259135 431018944 /nfs/dbraw/zinc/01/89/44/431018944.db2.gz QRIRJTWYSMAUBP-STQMWFEESA-N 2 1 317.458 2.810 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257893 431019355 /nfs/dbraw/zinc/01/93/55/431019355.db2.gz SUFACQAURJPHBK-MSOLQXFVSA-N 2 1 320.452 2.846 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460623 431108662 /nfs/dbraw/zinc/10/86/62/431108662.db2.gz DEVDJMVETWPBEU-JFIYKMOQSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000649460623 431108666 /nfs/dbraw/zinc/10/86/66/431108666.db2.gz DEVDJMVETWPBEU-JFIYKMOQSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000649460623 431108668 /nfs/dbraw/zinc/10/86/68/431108668.db2.gz DEVDJMVETWPBEU-JFIYKMOQSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000666086461 431111986 /nfs/dbraw/zinc/11/19/86/431111986.db2.gz SJXIXDWYOLCPAW-WMZOPIPTSA-N 2 1 312.461 2.983 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H]2CCc3cccc(Cl)c3C2)CCOCC1 ZINC000666090674 431114879 /nfs/dbraw/zinc/11/48/79/431114879.db2.gz CZCBIOBSVSRNIA-OAHLLOKOSA-N 2 1 322.880 2.898 20 0 DFADMP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655754524 431115392 /nfs/dbraw/zinc/11/53/92/431115392.db2.gz AIZRFJMATQKUBP-OCCSQVGLSA-N 2 1 308.388 2.950 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649489845 431119000 /nfs/dbraw/zinc/11/90/00/431119000.db2.gz JHPNEHAKVQBVQJ-UHFFFAOYSA-N 2 1 304.482 2.773 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc3n(n2)CCC3)CC1 ZINC000649489845 431119007 /nfs/dbraw/zinc/11/90/07/431119007.db2.gz JHPNEHAKVQBVQJ-UHFFFAOYSA-N 2 1 304.482 2.773 20 0 DFADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757111 431119113 /nfs/dbraw/zinc/11/91/13/431119113.db2.gz BQQRMXXJHALYKO-KBPBESRZSA-N 2 1 308.388 2.806 20 0 DFADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000655762430 431121974 /nfs/dbraw/zinc/12/19/74/431121974.db2.gz FDBUPKNUTSTBSK-GOSISDBHSA-N 2 1 315.505 2.906 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000662592709 431124923 /nfs/dbraw/zinc/12/49/23/431124923.db2.gz JQDDROOEVZWUGL-UONOGXRCSA-N 2 1 303.450 2.557 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C2)n1 ZINC000645807027 431077769 /nfs/dbraw/zinc/07/77/69/431077769.db2.gz TXKSAWLGJRBTCB-IAGOWNOFSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)C2)[nH+]1 ZINC000645807027 431077773 /nfs/dbraw/zinc/07/77/73/431077773.db2.gz TXKSAWLGJRBTCB-IAGOWNOFSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C2)[nH+]1 ZINC000645807027 431077778 /nfs/dbraw/zinc/07/77/78/431077778.db2.gz TXKSAWLGJRBTCB-IAGOWNOFSA-N 2 1 303.450 2.941 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000652522274 431080269 /nfs/dbraw/zinc/08/02/69/431080269.db2.gz AYBVMXFYJPHKQN-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000652522274 431080273 /nfs/dbraw/zinc/08/02/73/431080273.db2.gz AYBVMXFYJPHKQN-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000652522274 431080277 /nfs/dbraw/zinc/08/02/77/431080277.db2.gz AYBVMXFYJPHKQN-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1ccc(SCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655683422 431081603 /nfs/dbraw/zinc/08/16/03/431081603.db2.gz RCSGIYCEHJBZNG-QGZVFWFLSA-N 2 1 320.502 2.930 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000649378070 431082605 /nfs/dbraw/zinc/08/26/05/431082605.db2.gz MIWDCQNCEAGRDW-INIZCTEOSA-N 2 1 321.509 2.761 20 0 DFADMP Cc1cc(C)c(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655694224 431084757 /nfs/dbraw/zinc/08/47/57/431084757.db2.gz DRXIAHSHVJIFTF-IBGZPJMESA-N 2 1 316.489 2.997 20 0 DFADMP CC(C)c1nc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cs1 ZINC000655705194 431090586 /nfs/dbraw/zinc/09/05/86/431090586.db2.gz YOSRYALITHPBPE-MRXNPFEDSA-N 2 1 323.506 2.652 20 0 DFADMP Fc1ccc(C[N@@H+](CCc2ccccn2)C[C@H]2CC[NH2+]C2)cc1 ZINC000649412104 431092778 /nfs/dbraw/zinc/09/27/78/431092778.db2.gz KYRHLYAVWXTXFT-KRWDZBQOSA-N 2 1 313.420 2.875 20 0 DFADMP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000649411857 431093641 /nfs/dbraw/zinc/09/36/41/431093641.db2.gz JYBXDDNGRYZOPN-ZHALLVOQSA-N 2 1 301.478 2.753 20 0 DFADMP Fc1cc(F)cc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655713753 431094030 /nfs/dbraw/zinc/09/40/30/431094030.db2.gz VGRICRWELOBDDF-SFHVURJKSA-N 2 1 324.415 2.740 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000649413111 431094135 /nfs/dbraw/zinc/09/41/35/431094135.db2.gz LYEHHGLPXMTLMM-MSOLQXFVSA-N 2 1 304.482 2.744 20 0 DFADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000649413972 431095371 /nfs/dbraw/zinc/09/53/71/431095371.db2.gz ZVJGCIAQIKQHAT-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@H+](CC1=CCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645862233 431095466 /nfs/dbraw/zinc/09/54/66/431095466.db2.gz PFFQZZCQUQUEEK-LJQANCHMSA-N 2 1 300.446 2.666 20 0 DFADMP C[N@@H+](CC1=CCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645862233 431095472 /nfs/dbraw/zinc/09/54/72/431095472.db2.gz PFFQZZCQUQUEEK-LJQANCHMSA-N 2 1 300.446 2.666 20 0 DFADMP C[NH+](CC1=CCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000645862233 431095475 /nfs/dbraw/zinc/09/54/75/431095475.db2.gz PFFQZZCQUQUEEK-LJQANCHMSA-N 2 1 300.446 2.666 20 0 DFADMP C[NH+](CC1=CCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000645862233 431095478 /nfs/dbraw/zinc/09/54/78/431095478.db2.gz PFFQZZCQUQUEEK-LJQANCHMSA-N 2 1 300.446 2.666 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000649414705 431095974 /nfs/dbraw/zinc/09/59/74/431095974.db2.gz RJFCVTNKTDSZHE-SFHVURJKSA-N 2 1 316.493 2.904 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000649414705 431095979 /nfs/dbraw/zinc/09/59/79/431095979.db2.gz RJFCVTNKTDSZHE-SFHVURJKSA-N 3 1 316.493 2.904 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)c1 ZINC000649414705 431095982 /nfs/dbraw/zinc/09/59/82/431095982.db2.gz RJFCVTNKTDSZHE-SFHVURJKSA-N 3 1 316.493 2.904 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649414739 431096515 /nfs/dbraw/zinc/09/65/15/431096515.db2.gz UVWYGVZYAWUCKN-DLBZAZTESA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649414739 431096520 /nfs/dbraw/zinc/09/65/20/431096520.db2.gz UVWYGVZYAWUCKN-DLBZAZTESA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649414739 431096525 /nfs/dbraw/zinc/09/65/25/431096525.db2.gz UVWYGVZYAWUCKN-DLBZAZTESA-N 3 1 302.466 2.514 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccs1 ZINC000655715283 431097258 /nfs/dbraw/zinc/09/72/58/431097258.db2.gz IUBMXMHXZOORHE-HNNXBMFYSA-N 2 1 308.491 2.869 20 0 DFADMP C(COC1CCCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655722303 431098464 /nfs/dbraw/zinc/09/84/64/431098464.db2.gz BRUMZYXHIFPTAT-IBGZPJMESA-N 2 1 324.509 2.959 20 0 DFADMP Cc1ccccc1O[C@H](C)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655720226 431098683 /nfs/dbraw/zinc/09/86/83/431098683.db2.gz QNOJKONQYXIQOP-SJLPKXTDSA-N 2 1 318.461 2.605 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000655720721 431098835 /nfs/dbraw/zinc/09/88/35/431098835.db2.gz DQUGVEMVQJOQRF-OAHLLOKOSA-N 2 1 300.450 2.919 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662502196 431099712 /nfs/dbraw/zinc/09/97/12/431099712.db2.gz JQHISQILVNJGRO-NJAFHUGGSA-N 2 1 317.477 2.668 20 0 DFADMP C(COC1CCCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655722304 431099789 /nfs/dbraw/zinc/09/97/89/431099789.db2.gz BRUMZYXHIFPTAT-LJQANCHMSA-N 2 1 324.509 2.959 20 0 DFADMP c1c2ccccc2oc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655730808 431103437 /nfs/dbraw/zinc/10/34/37/431103437.db2.gz UCXHCHINVPEBOT-QGZVFWFLSA-N 2 1 314.429 2.818 20 0 DFADMP Cc1noc(C)c1[C@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655738906 431108355 /nfs/dbraw/zinc/10/83/55/431108355.db2.gz ZZEAJPQYNQAPRK-DYVFJYSZSA-N 2 1 321.465 2.628 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000364357136 279028289 /nfs/dbraw/zinc/02/82/89/279028289.db2.gz FBKXJSXNGKPUKO-INIZCTEOSA-N 2 1 318.465 2.620 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC12CCSCC2 ZINC000655776591 431132691 /nfs/dbraw/zinc/13/26/91/431132691.db2.gz JPERHWCSWNRCRH-RDJZCZTQSA-N 2 1 324.534 2.753 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000655777579 431133354 /nfs/dbraw/zinc/13/33/54/431133354.db2.gz WWSBOEKJYHRRFM-CYBMUJFWSA-N 2 1 304.413 2.607 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000361498188 279151120 /nfs/dbraw/zinc/15/11/20/279151120.db2.gz SAMWBBARMWBKDK-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000359388551 279165524 /nfs/dbraw/zinc/16/55/24/279165524.db2.gz ZSASUATUWNNQSX-NZSAHSFTSA-N 2 1 303.494 2.999 20 0 DFADMP CCN(CCC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)CC(F)(F)F ZINC000354824654 279183501 /nfs/dbraw/zinc/18/35/01/279183501.db2.gz ZHEYOTBNSAJGOV-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)CC(F)(F)F ZINC000354824654 279183503 /nfs/dbraw/zinc/18/35/03/279183503.db2.gz ZHEYOTBNSAJGOV-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000354824654 279183504 /nfs/dbraw/zinc/18/35/04/279183504.db2.gz ZHEYOTBNSAJGOV-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)CC(F)(F)F ZINC000354824654 279183505 /nfs/dbraw/zinc/18/35/05/279183505.db2.gz ZHEYOTBNSAJGOV-CABCVRRESA-N 2 1 321.431 2.677 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363918571 279247140 /nfs/dbraw/zinc/24/71/40/279247140.db2.gz CZJIQDQEQHCVKD-KBRIMQKVSA-N 2 1 319.424 2.759 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]CC2CCC(C(F)(F)F)CC2)CC1 ZINC000655789186 431139107 /nfs/dbraw/zinc/13/91/07/431139107.db2.gz XEMYVLOYFNMJSS-UHFFFAOYSA-N 2 1 322.415 2.792 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC(C)(C)C1 ZINC000359040433 279329566 /nfs/dbraw/zinc/32/95/66/279329566.db2.gz KYICQEAPEGMPJB-IRXDYDNUSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCS[C@H](C)C2)CC1 ZINC000131394390 279375639 /nfs/dbraw/zinc/37/56/39/279375639.db2.gz LHOJVRLODHRNAC-MRXNPFEDSA-N 2 1 319.518 2.766 20 0 DFADMP Cc1c(F)cccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000666245365 431163731 /nfs/dbraw/zinc/16/37/31/431163731.db2.gz WGQIEQCABIXMDC-ZDUSSCGKSA-N 2 1 324.444 2.528 20 0 DFADMP CC(C)Oc1ccnc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000649594074 431185989 /nfs/dbraw/zinc/18/59/89/431185989.db2.gz MKHMGUCKJUWNAH-OAHLLOKOSA-N 2 1 314.433 2.760 20 0 DFADMP CC(C)Oc1ccnc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000649594074 431185994 /nfs/dbraw/zinc/18/59/94/431185994.db2.gz MKHMGUCKJUWNAH-OAHLLOKOSA-N 2 1 314.433 2.760 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106199 431186796 /nfs/dbraw/zinc/18/67/96/431186796.db2.gz SDACDTACZNBTMV-UHFFFAOYSA-N 2 1 302.462 2.588 20 0 DFADMP CSc1ccccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646105675 431186868 /nfs/dbraw/zinc/18/68/68/431186868.db2.gz BYFIVVINKZREHY-UHFFFAOYSA-N 2 1 306.475 2.705 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646104859 431187333 /nfs/dbraw/zinc/18/73/33/431187333.db2.gz QXIQJACPIIYZEB-HNNXBMFYSA-N 2 1 304.434 2.553 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](CCc1ccccc1Cl)CCO2 ZINC000646104602 431189177 /nfs/dbraw/zinc/18/91/77/431189177.db2.gz SCCSPRBIEGBAOO-UHFFFAOYSA-N 2 1 308.853 2.679 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1ccccc1Cl)CCO2 ZINC000646104602 431189182 /nfs/dbraw/zinc/18/91/82/431189182.db2.gz SCCSPRBIEGBAOO-UHFFFAOYSA-N 2 1 308.853 2.679 20 0 DFADMP CCC[C@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603343 431191593 /nfs/dbraw/zinc/19/15/93/431191593.db2.gz HXKNEPQUKVTCOP-HOTGVXAUSA-N 2 1 310.507 2.971 20 0 DFADMP CCC[C@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603343 431191599 /nfs/dbraw/zinc/19/15/99/431191599.db2.gz HXKNEPQUKVTCOP-HOTGVXAUSA-N 2 1 310.507 2.971 20 0 DFADMP CCC[C@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603343 431191605 /nfs/dbraw/zinc/19/16/05/431191605.db2.gz HXKNEPQUKVTCOP-HOTGVXAUSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H]3CCCO3)C2)s1 ZINC000649604448 431191856 /nfs/dbraw/zinc/19/18/56/431191856.db2.gz FKNMJVLBEJQBTA-HOTGVXAUSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCCO3)C2)s1 ZINC000649604448 431191861 /nfs/dbraw/zinc/19/18/61/431191861.db2.gz FKNMJVLBEJQBTA-HOTGVXAUSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCCO3)C2)s1 ZINC000649604448 431191866 /nfs/dbraw/zinc/19/18/66/431191866.db2.gz FKNMJVLBEJQBTA-HOTGVXAUSA-N 2 1 308.491 2.989 20 0 DFADMP CCC[C@@H](O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603345 431192494 /nfs/dbraw/zinc/19/24/94/431192494.db2.gz HXKNEPQUKVTCOP-JKSUJKDBSA-N 2 1 310.507 2.971 20 0 DFADMP CCC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603345 431192500 /nfs/dbraw/zinc/19/25/00/431192500.db2.gz HXKNEPQUKVTCOP-JKSUJKDBSA-N 2 1 310.507 2.971 20 0 DFADMP CCC[C@@H](O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603345 431192508 /nfs/dbraw/zinc/19/25/08/431192508.db2.gz HXKNEPQUKVTCOP-JKSUJKDBSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)[C@H]3CCCOC3)C2)s1 ZINC000649603486 431192954 /nfs/dbraw/zinc/19/29/54/431192954.db2.gz OWANMJRLQYUEQF-HOTGVXAUSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)[C@H]3CCCOC3)C2)s1 ZINC000649603486 431192963 /nfs/dbraw/zinc/19/29/63/431192963.db2.gz OWANMJRLQYUEQF-HOTGVXAUSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)[C@H]3CCCOC3)C2)s1 ZINC000649603486 431192965 /nfs/dbraw/zinc/19/29/65/431192965.db2.gz OWANMJRLQYUEQF-HOTGVXAUSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)[C@H]3CCCOC3)C2)s1 ZINC000649603486 431192969 /nfs/dbraw/zinc/19/29/69/431192969.db2.gz OWANMJRLQYUEQF-HOTGVXAUSA-N 2 1 308.491 2.989 20 0 DFADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@H](O)C[NH+](C)C(C)C ZINC000659926873 431193894 /nfs/dbraw/zinc/19/38/94/431193894.db2.gz HBKSCBYEWHZGJY-GOSISDBHSA-N 2 1 310.457 2.781 20 0 DFADMP CCC[NH+](CCc1cccc(F)c1)C[C@H](O)C[N@H+](C)C(C)C ZINC000659926873 431193900 /nfs/dbraw/zinc/19/39/00/431193900.db2.gz HBKSCBYEWHZGJY-GOSISDBHSA-N 2 1 310.457 2.781 20 0 DFADMP CCC[NH+](CCc1cccc(F)c1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659926873 431193904 /nfs/dbraw/zinc/19/39/04/431193904.db2.gz HBKSCBYEWHZGJY-GOSISDBHSA-N 2 1 310.457 2.781 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000659939883 431198391 /nfs/dbraw/zinc/19/83/91/431198391.db2.gz KOWVXGRLDHXGQX-HFTRVMKXSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000659939883 431198395 /nfs/dbraw/zinc/19/83/95/431198395.db2.gz KOWVXGRLDHXGQX-HFTRVMKXSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000659939883 431198400 /nfs/dbraw/zinc/19/84/00/431198400.db2.gz KOWVXGRLDHXGQX-HFTRVMKXSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@H]1C ZINC000659939883 431198407 /nfs/dbraw/zinc/19/84/07/431198407.db2.gz KOWVXGRLDHXGQX-HFTRVMKXSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662685595 431160947 /nfs/dbraw/zinc/16/09/47/431160947.db2.gz VRBLSUGNURPPDY-SHTZXODSSA-N 2 1 312.417 2.731 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659988604 431222108 /nfs/dbraw/zinc/22/21/08/431222108.db2.gz YSWANGYQEMHSBG-SOLBZPMBSA-N 2 1 304.482 2.634 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659988604 431222114 /nfs/dbraw/zinc/22/21/14/431222114.db2.gz YSWANGYQEMHSBG-SOLBZPMBSA-N 2 1 304.482 2.634 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000662876926 431223115 /nfs/dbraw/zinc/22/31/15/431223115.db2.gz CKFQHRXSMPNNIK-SJLPKXTDSA-N 2 1 315.461 2.518 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000662876926 431223124 /nfs/dbraw/zinc/22/31/24/431223124.db2.gz CKFQHRXSMPNNIK-SJLPKXTDSA-N 2 1 315.461 2.518 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000655948032 431225671 /nfs/dbraw/zinc/22/56/71/431225671.db2.gz WHTFFUMQAMQNLL-LPHOPBHVSA-N 2 1 318.461 2.771 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000646243265 431236888 /nfs/dbraw/zinc/23/68/88/431236888.db2.gz SDEBCTFGYNIXIW-QFBILLFUSA-N 2 1 300.446 2.970 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000646243265 431236896 /nfs/dbraw/zinc/23/68/96/431236896.db2.gz SDEBCTFGYNIXIW-QFBILLFUSA-N 2 1 300.446 2.970 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000646243265 431236901 /nfs/dbraw/zinc/23/69/01/431236901.db2.gz SDEBCTFGYNIXIW-QFBILLFUSA-N 2 1 300.446 2.970 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C)C1CCCCC1 ZINC000653200518 431305484 /nfs/dbraw/zinc/30/54/84/431305484.db2.gz HAKFIMLOIHJTDC-ROUUACIJSA-N 2 1 323.525 2.781 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000653200940 431305641 /nfs/dbraw/zinc/30/56/41/431305641.db2.gz VDTONTQULWZJAX-GOSISDBHSA-N 2 1 309.498 2.680 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C1CCCCC1 ZINC000653200635 431306918 /nfs/dbraw/zinc/30/69/18/431306918.db2.gz KZAJUVBXPNHEGX-RDJZCZTQSA-N 2 1 311.514 2.767 20 0 DFADMP COc1c(C)ncnc1NCCC[N@@H+](C)Cc1ccccc1 ZINC000656106707 431262499 /nfs/dbraw/zinc/26/24/99/431262499.db2.gz YLHHJQJOBSCPPW-UHFFFAOYSA-N 2 1 300.406 2.728 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+]CC3)c2C1 ZINC000653114350 431271001 /nfs/dbraw/zinc/27/10/01/431271001.db2.gz FNKFOVGGWUYFMU-AWEZNQCLSA-N 2 1 301.434 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+]CC3)c2C1 ZINC000653114350 431271005 /nfs/dbraw/zinc/27/10/05/431271005.db2.gz FNKFOVGGWUYFMU-AWEZNQCLSA-N 2 1 301.434 2.740 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+]CC2)c1 ZINC000653112638 431271189 /nfs/dbraw/zinc/27/11/89/431271189.db2.gz FFCQXTGUXCJFPL-GOSISDBHSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)CNC(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256002 431344835 /nfs/dbraw/zinc/34/48/35/431344835.db2.gz HNAIASHCISRPFK-IRXDYDNUSA-N 2 1 323.525 2.781 20 0 DFADMP Cc1cc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000660256673 431345370 /nfs/dbraw/zinc/34/53/70/431345370.db2.gz MVOUNKFZABBYFC-HOCLYGCPSA-N 2 1 302.466 2.836 20 0 DFADMP c1nc(C2CC2)ncc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344314 431372586 /nfs/dbraw/zinc/37/25/86/431372586.db2.gz RIWIZMXTCPMWTB-HNNXBMFYSA-N 2 1 300.450 2.566 20 0 DFADMP c1nc(C2CC2)ncc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344314 431372593 /nfs/dbraw/zinc/37/25/93/431372593.db2.gz RIWIZMXTCPMWTB-HNNXBMFYSA-N 2 1 300.450 2.566 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+]Cc2ccc3cnccc3c2)c1 ZINC000666805814 431364458 /nfs/dbraw/zinc/36/44/58/431364458.db2.gz HXOZXFCDWZJODP-UHFFFAOYSA-N 2 1 306.413 2.899 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(OC)ns1 ZINC000660416114 431419976 /nfs/dbraw/zinc/41/99/76/431419976.db2.gz DBAGGMFAKJICLM-UHFFFAOYSA-N 2 1 308.451 2.823 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(OC)ns1 ZINC000660416114 431419980 /nfs/dbraw/zinc/41/99/80/431419980.db2.gz DBAGGMFAKJICLM-UHFFFAOYSA-N 2 1 308.451 2.823 20 0 DFADMP COc1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000656537636 431420348 /nfs/dbraw/zinc/42/03/48/431420348.db2.gz UBNJISLYSJJWGD-KRWDZBQOSA-N 2 1 300.446 2.769 20 0 DFADMP Cn1cnc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)ccc21 ZINC000663345361 431377481 /nfs/dbraw/zinc/37/74/81/431377481.db2.gz IYELOVUPNNGWPH-QGZVFWFLSA-N 2 1 312.461 2.785 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663360987 431384912 /nfs/dbraw/zinc/38/49/12/431384912.db2.gz YPMUVBZLLHGVNT-GOSISDBHSA-N 2 1 317.477 2.750 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000666856635 431387576 /nfs/dbraw/zinc/38/75/76/431387576.db2.gz VRZQHTLJJNFRGM-GOSISDBHSA-N 2 1 311.429 2.892 20 0 DFADMP CC(C)(C)[C@H]([NH3+])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455338 431391263 /nfs/dbraw/zinc/39/12/63/431391263.db2.gz DKFKHKZQFAHVOR-NVXWUHKLSA-N 2 1 313.449 2.771 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000653472568 431391871 /nfs/dbraw/zinc/39/18/71/431391871.db2.gz UPRDAPYYWPMDOB-LSDHHAIUSA-N 2 1 317.481 2.667 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)[nH+]1 ZINC000663483088 431440603 /nfs/dbraw/zinc/44/06/03/431440603.db2.gz YSYASZCDZJNJCR-QGZVFWFLSA-N 2 1 317.477 2.831 20 0 DFADMP COc1cc2c(c(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c1)O[C@@H](C)C2 ZINC000666998537 431440771 /nfs/dbraw/zinc/44/07/71/431440771.db2.gz ZRGIYAFMIBSSSH-BBRMVZONSA-N 2 1 316.445 2.783 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000653591271 431452215 /nfs/dbraw/zinc/45/22/15/431452215.db2.gz ZKURSKZYHQEACZ-OAHLLOKOSA-N 2 1 312.417 2.547 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c1 ZINC000667039019 431454910 /nfs/dbraw/zinc/45/49/10/431454910.db2.gz GDZXQOQYFNFLOR-ZFWWWQNUSA-N 2 1 314.433 2.502 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000647084392 431456035 /nfs/dbraw/zinc/45/60/35/431456035.db2.gz WPVZNUQWDGXZGG-WMZOPIPTSA-N 2 1 317.477 2.630 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000663539876 431460451 /nfs/dbraw/zinc/46/04/51/431460451.db2.gz OCTBGMKNSICACZ-QGZVFWFLSA-N 2 1 317.477 2.975 20 0 DFADMP CC(C)[C@@H](C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660536217 431479536 /nfs/dbraw/zinc/47/95/36/431479536.db2.gz FNDRTWTWPVGMIF-QUCCMNQESA-N 2 1 315.505 2.923 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000663607223 431479946 /nfs/dbraw/zinc/47/99/46/431479946.db2.gz FXAIZLCKCJSKQU-SJORKVTESA-N 2 1 317.477 2.973 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000663607223 431479951 /nfs/dbraw/zinc/47/99/51/431479951.db2.gz FXAIZLCKCJSKQU-SJORKVTESA-N 2 1 317.477 2.973 20 0 DFADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C[C@H]2C1 ZINC000663463649 431428846 /nfs/dbraw/zinc/42/88/46/431428846.db2.gz AQPBKDOSYUZHBZ-FQBWVUSXSA-N 2 1 306.494 2.902 20 0 DFADMP FCCOCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663463281 431429194 /nfs/dbraw/zinc/42/91/94/431429194.db2.gz ZDCLKNHOVDOBIA-AYHJJNSGSA-N 2 1 306.425 2.758 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000663465093 431432001 /nfs/dbraw/zinc/43/20/01/431432001.db2.gz HZJVSDAUUFCLDB-GOEBONIOSA-N 2 1 303.450 2.863 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000663465093 431432006 /nfs/dbraw/zinc/43/20/06/431432006.db2.gz HZJVSDAUUFCLDB-GOEBONIOSA-N 2 1 303.450 2.863 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663465978 431432553 /nfs/dbraw/zinc/43/25/53/431432553.db2.gz MMKMZCRNDAQIEQ-QAPCUYQASA-N 2 1 317.477 2.733 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(CO)c1 ZINC000663471818 431436512 /nfs/dbraw/zinc/43/65/12/431436512.db2.gz YMWJHGYVRQEWOX-MAUKXSAKSA-N 2 1 302.462 2.952 20 0 DFADMP CCO[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1C[NH3+] ZINC000650304162 431518869 /nfs/dbraw/zinc/51/88/69/431518869.db2.gz CNDYWMWYHBHLJZ-BDJLRTHQSA-N 2 1 305.809 2.688 20 0 DFADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783878 431518991 /nfs/dbraw/zinc/51/89/91/431518991.db2.gz VRTRJIXHHWVAIE-CQSZACIVSA-N 2 1 305.491 2.843 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1OC ZINC000656785940 431522960 /nfs/dbraw/zinc/52/29/60/431522960.db2.gz NOFNCOFQLYZXQC-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786442 431523677 /nfs/dbraw/zinc/52/36/77/431523677.db2.gz SQCODFOYNLFPPR-GOSISDBHSA-N 2 1 315.461 2.857 20 0 DFADMP Fc1cccn2cc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)nc12 ZINC000656787042 431523789 /nfs/dbraw/zinc/52/37/89/431523789.db2.gz RVTOYHRIXOBWNM-HNNXBMFYSA-N 2 1 316.424 2.685 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000660632482 431524101 /nfs/dbraw/zinc/52/41/01/431524101.db2.gz OORMIFJMQNMAKF-RDJZCZTQSA-N 2 1 310.869 2.830 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000653779009 431524661 /nfs/dbraw/zinc/52/46/61/431524661.db2.gz VUIYUQXGVMBUBQ-XJKSGUPXSA-N 2 1 310.869 2.614 20 0 DFADMP CCN(C)C[C@@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000653779009 431524666 /nfs/dbraw/zinc/52/46/66/431524666.db2.gz VUIYUQXGVMBUBQ-XJKSGUPXSA-N 2 1 310.869 2.614 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000653779009 431524669 /nfs/dbraw/zinc/52/46/69/431524669.db2.gz VUIYUQXGVMBUBQ-XJKSGUPXSA-N 2 1 310.869 2.614 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000656790074 431525446 /nfs/dbraw/zinc/52/54/46/431525446.db2.gz IQTODIZOKWWXGM-MNEFBYGVSA-N 2 1 318.461 2.547 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647249409 431528332 /nfs/dbraw/zinc/52/83/32/431528332.db2.gz YETYQLJDSFKFRX-YRXWBPOGSA-N 2 1 302.462 2.879 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700352 431485623 /nfs/dbraw/zinc/48/56/23/431485623.db2.gz HRHLOXAZFZAGOT-ZWKOTPCHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700352 431485630 /nfs/dbraw/zinc/48/56/30/431485630.db2.gz HRHLOXAZFZAGOT-ZWKOTPCHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700352 431485635 /nfs/dbraw/zinc/48/56/35/431485635.db2.gz HRHLOXAZFZAGOT-ZWKOTPCHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700352 431485639 /nfs/dbraw/zinc/48/56/39/431485639.db2.gz HRHLOXAZFZAGOT-ZWKOTPCHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700349 431486429 /nfs/dbraw/zinc/48/64/29/431486429.db2.gz HRHLOXAZFZAGOT-MSOLQXFVSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700349 431486433 /nfs/dbraw/zinc/48/64/33/431486433.db2.gz HRHLOXAZFZAGOT-MSOLQXFVSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700349 431486437 /nfs/dbraw/zinc/48/64/37/431486437.db2.gz HRHLOXAZFZAGOT-MSOLQXFVSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700349 431486443 /nfs/dbraw/zinc/48/64/43/431486443.db2.gz HRHLOXAZFZAGOT-MSOLQXFVSA-N 2 1 308.441 2.534 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC(C)(C)C[NH+](C)C)o1 ZINC000647166280 431489001 /nfs/dbraw/zinc/48/90/01/431489001.db2.gz HDDMIIANXIECPO-UHFFFAOYSA-N 2 1 304.438 2.666 20 0 DFADMP CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660559251 431490730 /nfs/dbraw/zinc/49/07/30/431490730.db2.gz VLIBUOVYKVBQCL-DOTOQJQBSA-N 2 1 308.466 2.779 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000647172455 431492898 /nfs/dbraw/zinc/49/28/98/431492898.db2.gz XOZGANHQVOBLTO-CVEARBPZSA-N 2 1 314.433 2.705 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000647172455 431492905 /nfs/dbraw/zinc/49/29/05/431492905.db2.gz XOZGANHQVOBLTO-CVEARBPZSA-N 2 1 314.433 2.705 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000660613573 431514186 /nfs/dbraw/zinc/51/41/86/431514186.db2.gz OVXGWLUWNHLCAM-KURKYZTESA-N 2 1 307.526 2.771 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H](C)C1 ZINC000647339159 431556285 /nfs/dbraw/zinc/55/62/85/431556285.db2.gz JYXCCCKZMFLKLZ-XOYOTBSWSA-N 2 1 303.450 2.622 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663787259 431539326 /nfs/dbraw/zinc/53/93/26/431539326.db2.gz GPXZXWICNRSXNE-INIZCTEOSA-N 2 1 322.412 2.742 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647290179 431540682 /nfs/dbraw/zinc/54/06/82/431540682.db2.gz ZKKUQLDZMAJZIY-AWEZNQCLSA-N 2 1 301.438 2.855 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCOc2ccccc2)CC1 ZINC000660691177 431554016 /nfs/dbraw/zinc/55/40/16/431554016.db2.gz AQUIGLVDLBZEEN-UHFFFAOYSA-N 2 1 320.477 2.528 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)CC[NH2+]C1 ZINC000262064544 280154759 /nfs/dbraw/zinc/15/47/59/280154759.db2.gz RMCNLROOCBRXPG-RISCZKNCSA-N 2 1 316.371 2.608 20 0 DFADMP Cc1cc(CO)cc(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663857882 431569135 /nfs/dbraw/zinc/56/91/35/431569135.db2.gz LUPDBFOXNROOBI-KRWDZBQOSA-N 2 1 311.429 2.816 20 0 DFADMP Cc1cc(CO)cc(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663857882 431569142 /nfs/dbraw/zinc/56/91/42/431569142.db2.gz LUPDBFOXNROOBI-KRWDZBQOSA-N 2 1 311.429 2.816 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000275685228 288217528 /nfs/dbraw/zinc/21/75/28/288217528.db2.gz IQTQWEOXYQMIFF-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)OCCCO2 ZINC000647480164 431602255 /nfs/dbraw/zinc/60/22/55/431602255.db2.gz DHCZRBWHEURCHY-NVXWUHKLSA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)OCCCO2 ZINC000647480164 431602259 /nfs/dbraw/zinc/60/22/59/431602259.db2.gz DHCZRBWHEURCHY-NVXWUHKLSA-N 2 1 316.445 2.812 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647480575 431602439 /nfs/dbraw/zinc/60/24/39/431602439.db2.gz RPIPZYVPNRAHIZ-AEFFLSMTSA-N 2 1 304.482 2.874 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647480575 431602445 /nfs/dbraw/zinc/60/24/45/431602445.db2.gz RPIPZYVPNRAHIZ-AEFFLSMTSA-N 2 1 304.482 2.874 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498307 431605038 /nfs/dbraw/zinc/60/50/38/431605038.db2.gz DXVKSQGEXVRMPY-PBHICJAKSA-N 2 1 302.397 2.571 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647498307 431605046 /nfs/dbraw/zinc/60/50/46/431605046.db2.gz DXVKSQGEXVRMPY-PBHICJAKSA-N 2 1 302.397 2.571 20 0 DFADMP Clc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCCO2 ZINC000647482867 431603195 /nfs/dbraw/zinc/60/31/95/431603195.db2.gz DVYCCXUCIGVTMG-UHFFFAOYSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCCO2 ZINC000647482867 431603201 /nfs/dbraw/zinc/60/32/01/431603201.db2.gz DVYCCXUCIGVTMG-UHFFFAOYSA-N 2 1 322.836 2.828 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000647479551 431603361 /nfs/dbraw/zinc/60/33/61/431603361.db2.gz LJJPGCRAZINIJH-DOTOQJQBSA-N 2 1 303.450 2.671 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000647479551 431603369 /nfs/dbraw/zinc/60/33/69/431603369.db2.gz LJJPGCRAZINIJH-DOTOQJQBSA-N 2 1 303.450 2.671 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000647498189 431605119 /nfs/dbraw/zinc/60/51/19/431605119.db2.gz CGSDJXCXXIPJTD-GUYCJALGSA-N 2 1 314.433 2.645 20 0 DFADMP Cc1cc(F)ccc1[C@@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000660753639 431580281 /nfs/dbraw/zinc/58/02/81/431580281.db2.gz KGUSXVFPPUBSGB-AEFFLSMTSA-N 2 1 308.441 2.972 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657293474 431650689 /nfs/dbraw/zinc/65/06/89/431650689.db2.gz NVUPBYKHTGFTQF-INIZCTEOSA-N 2 1 313.449 2.621 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CC[C@@H]1CCc3ccccc31)CCO2 ZINC000660905680 431651648 /nfs/dbraw/zinc/65/16/48/431651648.db2.gz OWVZTNZORSIUMK-SFHVURJKSA-N 2 1 314.473 2.903 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707583 431652497 /nfs/dbraw/zinc/65/24/97/431652497.db2.gz IZGYNUHTKWAQHT-LZWOXQAQSA-N 2 1 321.490 2.739 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1F ZINC000650707847 431653459 /nfs/dbraw/zinc/65/34/59/431653459.db2.gz ODOJOJIOAXBQSN-LXZKKBNFSA-N 2 1 322.424 2.553 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705343 431653671 /nfs/dbraw/zinc/65/36/71/431653671.db2.gz FAMTZQJDZUXREV-JENIJYKNSA-N 2 1 318.461 2.804 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707402 431653746 /nfs/dbraw/zinc/65/37/46/431653746.db2.gz FEJZDPRBCLSXFG-XKQJLSEDSA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000650705681 431654015 /nfs/dbraw/zinc/65/40/15/431654015.db2.gz QPWDKBOEFOXBEQ-LXZKKBNFSA-N 2 1 310.388 2.683 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650705227 431654396 /nfs/dbraw/zinc/65/43/96/431654396.db2.gz ABFMFKBZSVBVAE-SCTDSRPQSA-N 2 1 318.461 2.722 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650706418 431654517 /nfs/dbraw/zinc/65/45/17/431654517.db2.gz JXZFKOHXNWXECM-MPGHIAIKSA-N 2 1 322.424 2.553 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000657306885 431661949 /nfs/dbraw/zinc/66/19/49/431661949.db2.gz AXAHBLPIIYDEOY-LBPRGKRZSA-N 2 1 324.266 2.726 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)[C@H]1CC[NH3+] ZINC000650710887 431655556 /nfs/dbraw/zinc/65/55/56/431655556.db2.gz BTQNNKCEQYCMMN-KSSFIOAISA-N 2 1 315.461 2.528 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000650711202 431656431 /nfs/dbraw/zinc/65/64/31/431656431.db2.gz LJRNXCNGGVPNNS-KSSFIOAISA-N 3 1 313.449 2.525 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1CC[NH3+] ZINC000650711842 431659615 /nfs/dbraw/zinc/65/96/15/431659615.db2.gz FZHOYABNYJEUIH-TZMCWYRMSA-N 2 1 319.474 2.549 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647496556 431605401 /nfs/dbraw/zinc/60/54/01/431605401.db2.gz UTASYJQGLPJNTL-DYVFJYSZSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647496556 431605406 /nfs/dbraw/zinc/60/54/06/431605406.db2.gz UTASYJQGLPJNTL-DYVFJYSZSA-N 2 1 318.852 2.754 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000647497673 431606518 /nfs/dbraw/zinc/60/65/18/431606518.db2.gz PYBBXVGPMOORSX-FUHWJXTLSA-N 2 1 316.424 2.630 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000647497673 431606524 /nfs/dbraw/zinc/60/65/24/431606524.db2.gz PYBBXVGPMOORSX-FUHWJXTLSA-N 2 1 316.424 2.630 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000647493831 431606753 /nfs/dbraw/zinc/60/67/53/431606753.db2.gz ZCDGUAZYSFDZCY-GOEBONIOSA-N 2 1 306.450 2.914 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000647493831 431606758 /nfs/dbraw/zinc/60/67/58/431606758.db2.gz ZCDGUAZYSFDZCY-GOEBONIOSA-N 2 1 306.450 2.914 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000647498637 431609171 /nfs/dbraw/zinc/60/91/71/431609171.db2.gz LOJYNMCTFHPPRJ-RHSMWYFYSA-N 2 1 305.441 2.985 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c(F)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000647498637 431609177 /nfs/dbraw/zinc/60/91/77/431609177.db2.gz LOJYNMCTFHPPRJ-RHSMWYFYSA-N 2 1 305.441 2.985 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543333 431624180 /nfs/dbraw/zinc/62/41/80/431624180.db2.gz LEKLSIAYWNMVQC-CVEARBPZSA-N 2 1 312.461 2.785 20 0 DFADMP Cc1cccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC000647543102 431625016 /nfs/dbraw/zinc/62/50/16/431625016.db2.gz HRQCFMRTTCARBE-IAGOWNOFSA-N 2 1 312.461 2.854 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccccc2C2CC2)CC12CCOCC2 ZINC000647545433 431625397 /nfs/dbraw/zinc/62/53/97/431625397.db2.gz HACJLUDKDYDHQE-KRWDZBQOSA-N 2 1 300.446 2.751 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543871 431626031 /nfs/dbraw/zinc/62/60/31/431626031.db2.gz TUVRTTHALCYVSD-HUUCEWRRSA-N 2 1 304.482 2.919 20 0 DFADMP COCCOc1ccccc1C[NH2+]Cc1ccc(C[NH3+])cc1F ZINC000650717743 431661407 /nfs/dbraw/zinc/66/14/07/431661407.db2.gz LBOHUUHPHRNJPA-UHFFFAOYSA-N 2 1 318.392 2.599 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+]Cc2cccc3c2OCCCO3)c(F)c1 ZINC000650718447 431661531 /nfs/dbraw/zinc/66/15/31/431661531.db2.gz MYWTYXYUJWQADA-UHFFFAOYSA-N 2 1 316.376 2.736 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650723413 431666095 /nfs/dbraw/zinc/66/60/95/431666095.db2.gz NMEWTXAHXDAVAV-CGTJXYLNSA-N 2 1 306.425 2.995 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2csc(C3CC3)n2)C1 ZINC000650722902 431666289 /nfs/dbraw/zinc/66/62/89/431666289.db2.gz DIPOYHOTCCMGLT-FVQBIDKESA-N 2 1 321.490 2.881 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2csc(C3CC3)n2)C1 ZINC000650722902 431666294 /nfs/dbraw/zinc/66/62/94/431666294.db2.gz DIPOYHOTCCMGLT-FVQBIDKESA-N 2 1 321.490 2.881 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650721870 431666479 /nfs/dbraw/zinc/66/64/79/431666479.db2.gz DTMVLUJFXQVYLS-ZHALLVOQSA-N 2 1 318.461 2.864 20 0 DFADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723982 431666831 /nfs/dbraw/zinc/66/68/31/431666831.db2.gz WLGKPBQAYXFJQS-YUELXQCFSA-N 2 1 309.479 2.566 20 0 DFADMP Cc1cc(NC[C@H]2CC[N@H+]2C(C)(C)C)nc(-c2ccncc2)n1 ZINC000664138080 431667072 /nfs/dbraw/zinc/66/70/72/431667072.db2.gz HOQYKOKMHXFOIC-OAHLLOKOSA-N 2 1 311.433 2.554 20 0 DFADMP CCc1cccc2cc(C[NH2+]CCCN3CCC(O)CC3)oc21 ZINC000657324758 431677041 /nfs/dbraw/zinc/67/70/41/431677041.db2.gz CUUIENFPCUJIAK-UHFFFAOYSA-N 2 1 316.445 2.932 20 0 DFADMP Fc1ccc2c(c1)[C@@H](NCc1cnc3n1CCC3)CCCO2 ZINC000657326486 431677289 /nfs/dbraw/zinc/67/72/89/431677289.db2.gz UVNPXMBJNJMQBC-HNNXBMFYSA-N 2 1 301.365 2.972 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000660962563 431678815 /nfs/dbraw/zinc/67/88/15/431678815.db2.gz DWWJDTVKAAQOOG-MSOLQXFVSA-N 2 1 320.481 2.760 20 0 DFADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000650756314 431682020 /nfs/dbraw/zinc/68/20/20/431682020.db2.gz ZIDPVPQOYODIDC-CEXWTWQISA-N 2 1 301.478 2.806 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCCCC1 ZINC000647791296 431687128 /nfs/dbraw/zinc/68/71/28/431687128.db2.gz BOARSGWLIFVKOK-OKYOBFRVSA-N 2 1 307.526 2.865 20 0 DFADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C2 ZINC000647793996 431689395 /nfs/dbraw/zinc/68/93/95/431689395.db2.gz NZAXGNKUEZEUBO-YGWPLHOASA-N 2 1 314.473 2.538 20 0 DFADMP Cc1csc2ncnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c12 ZINC000664194135 431691277 /nfs/dbraw/zinc/69/12/77/431691277.db2.gz ANZGLVCQFVWTHS-ZDUSSCGKSA-N 2 1 321.494 2.684 20 0 DFADMP Cc1csc2ncnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c12 ZINC000664194135 431691283 /nfs/dbraw/zinc/69/12/83/431691283.db2.gz ANZGLVCQFVWTHS-ZDUSSCGKSA-N 2 1 321.494 2.684 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657348344 431694129 /nfs/dbraw/zinc/69/41/29/431694129.db2.gz SGFAXWBYLPJPFD-LBPRGKRZSA-N 2 1 318.387 2.649 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657348344 431694140 /nfs/dbraw/zinc/69/41/40/431694140.db2.gz SGFAXWBYLPJPFD-LBPRGKRZSA-N 2 1 318.387 2.649 20 0 DFADMP Cc1ccc2oc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)nc2c1 ZINC000664195443 431694683 /nfs/dbraw/zinc/69/46/83/431694683.db2.gz CHXDDHQQWCOSHF-AWEZNQCLSA-N 2 1 304.438 2.820 20 0 DFADMP Cc1ccc2oc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)nc2c1 ZINC000664195443 431694688 /nfs/dbraw/zinc/69/46/88/431694688.db2.gz CHXDDHQQWCOSHF-AWEZNQCLSA-N 2 1 304.438 2.820 20 0 DFADMP CCc1cccc2cc(C[NH2+][C@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000657353885 431695512 /nfs/dbraw/zinc/69/55/12/431695512.db2.gz KOZLUIGMHGFOMW-OAHLLOKOSA-N 2 1 315.461 2.721 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000657354593 431696899 /nfs/dbraw/zinc/69/68/99/431696899.db2.gz SGDUOQUITZXMRF-IPMKNSEASA-N 2 1 302.462 2.708 20 0 DFADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccccc1Cl ZINC000647814269 431697147 /nfs/dbraw/zinc/69/71/47/431697147.db2.gz GQKRWKMHXPZVHU-UHFFFAOYSA-N 2 1 321.852 2.885 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000657357828 431700666 /nfs/dbraw/zinc/70/06/66/431700666.db2.gz FKSAXEAMZWSIHR-DOTOQJQBSA-N 2 1 306.450 2.532 20 0 DFADMP CCCn1nccc1C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000657362808 431703608 /nfs/dbraw/zinc/70/36/08/431703608.db2.gz IRRBJOSSYIFBQL-AEFFLSMTSA-N 2 1 322.497 2.520 20 0 DFADMP CCCn1nccc1C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000657362808 431703611 /nfs/dbraw/zinc/70/36/11/431703611.db2.gz IRRBJOSSYIFBQL-AEFFLSMTSA-N 2 1 322.497 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000657373994 431708432 /nfs/dbraw/zinc/70/84/32/431708432.db2.gz CMZZTDRQISRYQB-UHFFFAOYSA-N 2 1 315.343 2.514 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000647854880 431709059 /nfs/dbraw/zinc/70/90/59/431709059.db2.gz GNUWMOKREWEMQG-ZIAGYGMSSA-N 2 1 314.433 2.733 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CO1 ZINC000657373151 431709245 /nfs/dbraw/zinc/70/92/45/431709245.db2.gz VZPCTAWOFPPKAS-IAGOWNOFSA-N 2 1 321.465 2.661 20 0 DFADMP O[C@H]1CC[N@H+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)C1 ZINC000664238374 431710062 /nfs/dbraw/zinc/71/00/62/431710062.db2.gz IDZZZTZBKZYDKD-INIZCTEOSA-N 2 1 322.412 2.742 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)C1 ZINC000664238374 431710069 /nfs/dbraw/zinc/71/00/69/431710069.db2.gz IDZZZTZBKZYDKD-INIZCTEOSA-N 2 1 322.412 2.742 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2C)CC[C@H]1[NH3+] ZINC000647936283 431736329 /nfs/dbraw/zinc/73/63/29/431736329.db2.gz AUWAIHCCACIWGY-DZGCQCFKSA-N 2 1 307.413 2.522 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000647951196 431744011 /nfs/dbraw/zinc/74/40/11/431744011.db2.gz DCNNGNJSFIAUIU-AWEZNQCLSA-N 2 1 302.397 2.572 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(c2ncnc3[nH]ccc32)C1 ZINC000664365236 431751646 /nfs/dbraw/zinc/75/16/46/431751646.db2.gz XQGFFWNZTPGSKU-INIZCTEOSA-N 2 1 321.428 2.711 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000647964464 431755324 /nfs/dbraw/zinc/75/53/24/431755324.db2.gz LNFBKQVMPVYPAY-KURKYZTESA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000647964464 431755327 /nfs/dbraw/zinc/75/53/27/431755327.db2.gz LNFBKQVMPVYPAY-KURKYZTESA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000647964464 431755330 /nfs/dbraw/zinc/75/53/30/431755330.db2.gz LNFBKQVMPVYPAY-KURKYZTESA-N 2 1 304.478 2.874 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCC[C@H](O)C3)C2)[nH+]1 ZINC000647964763 431757069 /nfs/dbraw/zinc/75/70/69/431757069.db2.gz ZXAHGSMJHALMBX-IKGGRYGDSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC[C@H](O)C3)C2)[nH+]1 ZINC000647964763 431757078 /nfs/dbraw/zinc/75/70/78/431757078.db2.gz ZXAHGSMJHALMBX-IKGGRYGDSA-N 2 1 303.450 2.675 20 0 DFADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975795 431760992 /nfs/dbraw/zinc/76/09/92/431760992.db2.gz GAMPMTFGFZEAHY-SOUVJXGZSA-N 2 1 306.454 2.966 20 0 DFADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976906 431761251 /nfs/dbraw/zinc/76/12/51/431761251.db2.gz VYDFFCFDQHXQQX-BRWVUGGUSA-N 2 1 321.509 2.535 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978001 431762163 /nfs/dbraw/zinc/76/21/63/431762163.db2.gz KTYBLRFRNZYZGS-ZIAGYGMSSA-N 2 1 308.388 2.667 20 0 DFADMP c1cc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000647872652 431714701 /nfs/dbraw/zinc/71/47/01/431714701.db2.gz NVMMDCDBZQUJPL-OAHLLOKOSA-N 2 1 302.418 2.769 20 0 DFADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000647872331 431714806 /nfs/dbraw/zinc/71/48/06/431714806.db2.gz XEDKEBKOPGZXNX-KRWDZBQOSA-N 2 1 318.461 2.928 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881623 431715336 /nfs/dbraw/zinc/71/53/36/431715336.db2.gz VRLAWSOZAWBMLD-AEFFLSMTSA-N 2 1 323.525 2.783 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000647874903 431716607 /nfs/dbraw/zinc/71/66/07/431716607.db2.gz IJKFPWVZJLDNHP-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000647874903 431716612 /nfs/dbraw/zinc/71/66/12/431716612.db2.gz IJKFPWVZJLDNHP-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000657560061 431808336 /nfs/dbraw/zinc/80/83/36/431808336.db2.gz SDYXCBAAEMYBPV-MNEFBYGVSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000657560061 431808339 /nfs/dbraw/zinc/80/83/39/431808339.db2.gz SDYXCBAAEMYBPV-MNEFBYGVSA-N 2 1 302.462 2.790 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1nccc3ccccc31)CCO2 ZINC000648071842 431809588 /nfs/dbraw/zinc/80/95/88/431809588.db2.gz WZHMETOPQHHQTQ-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP c1cc2c(cc[nH+]c2N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)[nH]1 ZINC000664540282 431812409 /nfs/dbraw/zinc/81/24/09/431812409.db2.gz WPBHIDWTJMMZBS-HZPDHXFCSA-N 2 1 312.417 2.618 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H](c2nnc(C3CC3)[nH]2)C1 ZINC000647988440 431765930 /nfs/dbraw/zinc/76/59/30/431765930.db2.gz JXNUGSVZFAPGCB-INIZCTEOSA-N 2 1 317.481 2.641 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000647988440 431765936 /nfs/dbraw/zinc/76/59/36/431765936.db2.gz JXNUGSVZFAPGCB-INIZCTEOSA-N 2 1 317.481 2.641 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@H](c2nc(C3CC3)n[nH]2)C1 ZINC000647988440 431765942 /nfs/dbraw/zinc/76/59/42/431765942.db2.gz JXNUGSVZFAPGCB-INIZCTEOSA-N 2 1 317.481 2.641 20 0 DFADMP CCC[C@@H]1CN(C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000647990904 431767862 /nfs/dbraw/zinc/76/78/62/431767862.db2.gz UDNGWFRFFJGLHN-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000657470091 431768201 /nfs/dbraw/zinc/76/82/01/431768201.db2.gz MGHZODVZSMZBGP-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000657470091 431768205 /nfs/dbraw/zinc/76/82/05/431768205.db2.gz MGHZODVZSMZBGP-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP COc1ncncc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000648011527 431780435 /nfs/dbraw/zinc/78/04/35/431780435.db2.gz VDVXEJJDCKMJJP-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP CC(C)C[N@@H+](C)CCCNCc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657499509 431787046 /nfs/dbraw/zinc/78/70/46/431787046.db2.gz AUXNBPOZQYUQAG-LJQANCHMSA-N 2 1 320.477 2.922 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657499509 431787054 /nfs/dbraw/zinc/78/70/54/431787054.db2.gz AUXNBPOZQYUQAG-LJQANCHMSA-N 2 1 320.477 2.922 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657499509 431787058 /nfs/dbraw/zinc/78/70/58/431787058.db2.gz AUXNBPOZQYUQAG-LJQANCHMSA-N 2 1 320.477 2.922 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C1 ZINC000657596609 431820518 /nfs/dbraw/zinc/82/05/18/431820518.db2.gz XSKMHHGLABMOLA-VQIMIIECSA-N 2 1 300.446 2.699 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3F)cc2)C1 ZINC000657594322 431820953 /nfs/dbraw/zinc/82/09/53/431820953.db2.gz IJVDGXNUEMLIHR-SFHVURJKSA-N 2 1 314.404 2.682 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CC=CCC3)cc2)C1 ZINC000657596603 431821067 /nfs/dbraw/zinc/82/10/67/431821067.db2.gz XSKMHHGLABMOLA-APWZRJJASA-N 2 1 300.446 2.699 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccsc3)cc2)C1 ZINC000657593706 431821558 /nfs/dbraw/zinc/82/15/58/431821558.db2.gz CBQKIQFLKMYJRF-QGZVFWFLSA-N 2 1 302.443 2.605 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)C1 ZINC000657593495 431821719 /nfs/dbraw/zinc/82/17/19/431821719.db2.gz HZFABLDHNZCYPS-IBGZPJMESA-N 2 1 314.404 2.682 20 0 DFADMP C[N@H+]1C[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000664570519 431822376 /nfs/dbraw/zinc/82/23/76/431822376.db2.gz WQNXFAUGHNFYKY-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000664570519 431822380 /nfs/dbraw/zinc/82/23/80/431822380.db2.gz WQNXFAUGHNFYKY-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@H]2C1 ZINC000664570519 431822382 /nfs/dbraw/zinc/82/23/82/431822382.db2.gz WQNXFAUGHNFYKY-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000648162206 431829696 /nfs/dbraw/zinc/82/96/96/431829696.db2.gz OWYJKBVBGHHBDO-HOCLYGCPSA-N 2 1 323.868 2.719 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000648162206 431829698 /nfs/dbraw/zinc/82/96/98/431829698.db2.gz OWYJKBVBGHHBDO-HOCLYGCPSA-N 2 1 323.868 2.719 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278989091 281766847 /nfs/dbraw/zinc/76/68/47/281766847.db2.gz AJSWYIFRHMHEBO-UHFFFAOYSA-N 2 1 313.449 2.939 20 0 DFADMP C[C@@H]1[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C[C@H]1c1ccccc1 ZINC000374232553 289059705 /nfs/dbraw/zinc/05/97/05/289059705.db2.gz VXNKVGJPZMWPNY-QXAKKESOSA-N 2 1 315.505 2.794 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+]2CCC[C@H]2C1 ZINC000363396488 289087623 /nfs/dbraw/zinc/08/76/23/289087623.db2.gz SVNYHYUWPGWWRL-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)[C@@]1(C)CCCC[NH2+]1)c1ccccc1Cl ZINC000180979216 289285269 /nfs/dbraw/zinc/28/52/69/289285269.db2.gz IQXVISAIKNBGGE-DOTOQJQBSA-N 2 1 323.868 2.591 20 0 DFADMP C[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000357774838 289356620 /nfs/dbraw/zinc/35/66/20/289356620.db2.gz ZNGLYXQOMDMWHX-YESZJQIVSA-N 2 1 309.498 2.630 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)OCC)[C@@H](C)C1 ZINC000437087241 297054118 /nfs/dbraw/zinc/05/41/18/297054118.db2.gz UTSQPZJZSIMVKB-JKSUJKDBSA-N 2 1 300.487 2.528 20 0 DFADMP C[N@@H+](CC[C@@H]1CCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112032 297081086 /nfs/dbraw/zinc/08/10/86/297081086.db2.gz YCFXZFIMGGMXDU-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438112032 297081087 /nfs/dbraw/zinc/08/10/87/297081087.db2.gz YCFXZFIMGGMXDU-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438112032 297081089 /nfs/dbraw/zinc/08/10/89/297081089.db2.gz YCFXZFIMGGMXDU-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000281333523 295036905 /nfs/dbraw/zinc/03/69/05/295036905.db2.gz AYTOSBUMDOHQIC-YVEFUNNKSA-N 2 1 315.392 2.913 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000281333523 295036907 /nfs/dbraw/zinc/03/69/07/295036907.db2.gz AYTOSBUMDOHQIC-YVEFUNNKSA-N 2 1 315.392 2.913 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000155298985 295316290 /nfs/dbraw/zinc/31/62/90/295316290.db2.gz OXAIYNWOMRLHAA-UHFFFAOYSA-N 2 1 320.481 2.646 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156170597 295331825 /nfs/dbraw/zinc/33/18/25/295331825.db2.gz VGROUPGWICCSRB-KEYYUXOJSA-N 2 1 300.450 2.814 20 0 DFADMP CCN1CCC([N@H+](C)Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000157508808 295349263 /nfs/dbraw/zinc/34/92/63/295349263.db2.gz DOFDSXAUCHCYOJ-UHFFFAOYSA-N 2 1 315.465 2.928 20 0 DFADMP CCN1CCC([N@@H+](C)Cc2cnc3c(cnn3C(C)C)c2)CC1 ZINC000157508808 295349266 /nfs/dbraw/zinc/34/92/66/295349266.db2.gz DOFDSXAUCHCYOJ-UHFFFAOYSA-N 2 1 315.465 2.928 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148544 295359181 /nfs/dbraw/zinc/35/91/81/295359181.db2.gz IKPUXRWCASOTPF-SJORKVTESA-N 3 1 319.493 2.619 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148544 295359183 /nfs/dbraw/zinc/35/91/83/295359183.db2.gz IKPUXRWCASOTPF-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148817 295359302 /nfs/dbraw/zinc/35/93/02/295359302.db2.gz IKPUXRWCASOTPF-IAGOWNOFSA-N 3 1 319.493 2.619 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148817 295359305 /nfs/dbraw/zinc/35/93/05/295359305.db2.gz IKPUXRWCASOTPF-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400399474 295497198 /nfs/dbraw/zinc/49/71/98/295497198.db2.gz KEEHWXMKJBUWKI-APWZRJJASA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000438545111 297097892 /nfs/dbraw/zinc/09/78/92/297097892.db2.gz LKVBYHFSPKBDKN-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438545111 297097894 /nfs/dbraw/zinc/09/78/94/297097894.db2.gz LKVBYHFSPKBDKN-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000438545111 297097895 /nfs/dbraw/zinc/09/78/95/297097895.db2.gz LKVBYHFSPKBDKN-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000438545108 297098080 /nfs/dbraw/zinc/09/80/80/297098080.db2.gz LKVBYHFSPKBDKN-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438545108 297098081 /nfs/dbraw/zinc/09/80/81/297098081.db2.gz LKVBYHFSPKBDKN-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000438545108 297098083 /nfs/dbraw/zinc/09/80/83/297098083.db2.gz LKVBYHFSPKBDKN-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438565724 297098937 /nfs/dbraw/zinc/09/89/37/297098937.db2.gz FJMOQIAEFWNKSO-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568773 297099063 /nfs/dbraw/zinc/09/90/63/297099063.db2.gz QQOGSRDWWUAFDA-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[NH+](CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC000438568023 297099255 /nfs/dbraw/zinc/09/92/55/297099255.db2.gz OGGNVHSAFWFJSD-QGZVFWFLSA-N 2 1 309.498 2.628 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000438838126 297104728 /nfs/dbraw/zinc/10/47/28/297104728.db2.gz DMSBNXTXOHQREP-SSHXOBKSSA-N 2 1 304.438 2.621 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000438838126 297104729 /nfs/dbraw/zinc/10/47/29/297104729.db2.gz DMSBNXTXOHQREP-SSHXOBKSSA-N 2 1 304.438 2.621 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439088202 297114551 /nfs/dbraw/zinc/11/45/51/297114551.db2.gz QGXJBTQGRDGGDN-UKRRQHHQSA-N 2 1 319.449 2.646 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439088202 297114553 /nfs/dbraw/zinc/11/45/53/297114553.db2.gz QGXJBTQGRDGGDN-UKRRQHHQSA-N 2 1 319.449 2.646 20 0 DFADMP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)[NH+](CC)CC ZINC000439701297 297135656 /nfs/dbraw/zinc/13/56/56/297135656.db2.gz JKOQOQRBADGZOZ-IRXDYDNUSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000441245800 297177126 /nfs/dbraw/zinc/17/71/26/297177126.db2.gz NJSDVYRQIFPUMW-IEWDOMPSSA-N 2 1 324.509 2.765 20 0 DFADMP Cc1cc(Cl)ccc1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441324684 297179574 /nfs/dbraw/zinc/17/95/74/297179574.db2.gz AQFVUFJEIKNNSL-UHFFFAOYSA-N 2 1 309.885 2.764 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773857 297205565 /nfs/dbraw/zinc/20/55/65/297205565.db2.gz DHEFSXWZFWDGNR-VXGBXAGGSA-N 2 1 302.340 2.753 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)n2)cc1F ZINC000442782820 297205877 /nfs/dbraw/zinc/20/58/77/297205877.db2.gz QILQYLVHSULQFZ-RWMBFGLXSA-N 2 1 318.396 2.914 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)n2)cc1F ZINC000442782820 297205878 /nfs/dbraw/zinc/20/58/78/297205878.db2.gz QILQYLVHSULQFZ-RWMBFGLXSA-N 2 1 318.396 2.914 20 0 DFADMP CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000442876253 297209303 /nfs/dbraw/zinc/20/93/03/297209303.db2.gz PKBPMXAHVVNBEW-MRXNPFEDSA-N 2 1 304.482 2.538 20 0 DFADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442919364 297211037 /nfs/dbraw/zinc/21/10/37/297211037.db2.gz IQOQPELWSFPASR-LBPRGKRZSA-N 2 1 314.376 2.857 20 0 DFADMP CCc1ccc(-c2noc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000443055246 297213583 /nfs/dbraw/zinc/21/35/83/297213583.db2.gz AZYKTEFSQPDAAE-OAHLLOKOSA-N 2 1 314.433 2.860 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058457 297213769 /nfs/dbraw/zinc/21/37/69/297213769.db2.gz AFGGYCNMKFNOCS-HZPDHXFCSA-N 2 1 303.450 2.691 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065997 297214673 /nfs/dbraw/zinc/21/46/73/297214673.db2.gz DDAJYNJWHISNPI-XJKSGUPXSA-N 2 1 321.852 2.506 20 0 DFADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443064930 297214757 /nfs/dbraw/zinc/21/47/57/297214757.db2.gz ZCBJPWBGJPETGH-GDBMZVCRSA-N 2 1 314.433 2.782 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443086847 297215515 /nfs/dbraw/zinc/21/55/15/297215515.db2.gz HRGILBRZYVPQPI-KDOFPFPSSA-N 2 1 321.896 2.628 20 0 DFADMP CN(C)C(=O)C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccccc1 ZINC000444615176 297241524 /nfs/dbraw/zinc/24/15/24/297241524.db2.gz YPAFXBRHBICAEP-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP COC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000446819713 297287318 /nfs/dbraw/zinc/28/73/18/297287318.db2.gz VDFBCZVRXLDULY-JZXOWHBKSA-N 2 1 312.498 2.671 20 0 DFADMP CCC[C@]1(CO)CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000446906806 297289824 /nfs/dbraw/zinc/28/98/24/297289824.db2.gz RQTYXVRKVQTECZ-GOSISDBHSA-N 2 1 314.433 2.703 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC000447090357 297294984 /nfs/dbraw/zinc/29/49/84/297294984.db2.gz YDKQKRRAYZVJER-CQSZACIVSA-N 2 1 323.506 2.804 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447454406 297304562 /nfs/dbraw/zinc/30/45/62/297304562.db2.gz XTJHWAQRVMTHHH-PKOBYXMFSA-N 2 1 317.477 2.631 20 0 DFADMP C[C@H](CC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000447736637 297315301 /nfs/dbraw/zinc/31/53/01/297315301.db2.gz OANNERPSCWQLAY-SJORKVTESA-N 2 1 304.478 2.957 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448241957 297335599 /nfs/dbraw/zinc/33/55/99/297335599.db2.gz PETLTVKEKJJKBN-QZTJIDSGSA-N 2 1 317.477 2.847 20 0 DFADMP COc1cc(C)ccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000449027226 297393550 /nfs/dbraw/zinc/39/35/50/297393550.db2.gz LDHKOZXZMOAYRU-INIZCTEOSA-N 2 1 320.477 2.528 20 0 DFADMP Cc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1F ZINC000449038132 297395633 /nfs/dbraw/zinc/39/56/33/297395633.db2.gz RSNOKMYQHFAYGS-FUHWJXTLSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1F ZINC000449038132 297395635 /nfs/dbraw/zinc/39/56/35/297395635.db2.gz RSNOKMYQHFAYGS-FUHWJXTLSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)Cc2cnccn2)CC1 ZINC000453057980 298057828 /nfs/dbraw/zinc/05/78/28/298057828.db2.gz GHUXDUMLUNQHEC-QGZVFWFLSA-N 2 1 324.472 2.970 20 0 DFADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453108210 298062122 /nfs/dbraw/zinc/06/21/22/298062122.db2.gz JNKAHABANTXODC-LULLPPNCSA-N 2 1 302.462 2.790 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000453122632 298064873 /nfs/dbraw/zinc/06/48/73/298064873.db2.gz YDLWWNQWWZYIAR-QRVBRYPASA-N 2 1 314.473 2.934 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@H]2CCC[C@H]21 ZINC000453339400 298084660 /nfs/dbraw/zinc/08/46/60/298084660.db2.gz LWYQMTUDPTYEGO-FQBWVUSXSA-N 2 1 315.461 2.764 20 0 DFADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453356095 298086442 /nfs/dbraw/zinc/08/64/42/298086442.db2.gz HTHVCVVTQHAAJC-ZWJWXYIHSA-N 2 1 300.446 2.543 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453364989 298087043 /nfs/dbraw/zinc/08/70/43/298087043.db2.gz CHFLDYRDHPIMHC-XGXHKWSGSA-N 2 1 302.462 2.648 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@H](C)C1 ZINC000453381871 298088684 /nfs/dbraw/zinc/08/86/84/298088684.db2.gz XXTYZKMGGSTHDX-CVEARBPZSA-N 2 1 314.514 2.510 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000453402817 298090703 /nfs/dbraw/zinc/09/07/03/298090703.db2.gz NYACBIPLXRGVDE-MJGOQNOKSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000453402817 298090706 /nfs/dbraw/zinc/09/07/06/298090706.db2.gz NYACBIPLXRGVDE-MJGOQNOKSA-N 2 1 324.472 2.970 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1-n1ccnn1 ZINC000453408194 298091007 /nfs/dbraw/zinc/09/10/07/298091007.db2.gz SMCVNFXKQCNORO-HNNXBMFYSA-N 2 1 313.449 2.792 20 0 DFADMP Cc1cnc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000453418615 298092644 /nfs/dbraw/zinc/09/26/44/298092644.db2.gz YLRCAFZTIOHTRQ-UHFFFAOYSA-N 2 1 310.445 2.582 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420628 298093363 /nfs/dbraw/zinc/09/33/63/298093363.db2.gz ZREBHUVFONWHBQ-PXNSSMCTSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000455489586 298369076 /nfs/dbraw/zinc/36/90/76/298369076.db2.gz VRPDLMKKEDPXNE-GJZGRUSLSA-N 2 1 302.422 2.755 20 0 DFADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000496165179 300024342 /nfs/dbraw/zinc/02/43/42/300024342.db2.gz GXXZJMCJWSNJOE-HUUCEWRRSA-N 2 1 317.433 2.636 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497012123 300147160 /nfs/dbraw/zinc/14/71/60/300147160.db2.gz AEUYRKSJACSFAZ-OAHLLOKOSA-N 2 1 313.486 2.611 20 0 DFADMP CCCCC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000497072222 300156467 /nfs/dbraw/zinc/15/64/67/300156467.db2.gz NEDLYCYELWFCGM-GOSISDBHSA-N 2 1 323.481 2.761 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000497123571 300165093 /nfs/dbraw/zinc/16/50/93/300165093.db2.gz CLFADHXBOSVXCM-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000498203413 300194337 /nfs/dbraw/zinc/19/43/37/300194337.db2.gz ZVBJTLLRFNVRCD-HKUYNNGSSA-N 2 1 323.525 2.865 20 0 DFADMP CCc1ccc(CC[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000502893887 300218765 /nfs/dbraw/zinc/21/87/65/300218765.db2.gz SWOGYUAIJIEWIX-HXUWFJFHSA-N 2 1 316.489 2.836 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000509771670 300243381 /nfs/dbraw/zinc/24/33/81/300243381.db2.gz GZKHKGGUMUTUPD-MRXNPFEDSA-N 2 1 320.477 2.886 20 0 DFADMP COC(=O)[C@H](C)C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000509771670 300243384 /nfs/dbraw/zinc/24/33/84/300243384.db2.gz GZKHKGGUMUTUPD-MRXNPFEDSA-N 2 1 320.477 2.886 20 0 DFADMP COC(=O)[C@H](C)C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000509771670 300243386 /nfs/dbraw/zinc/24/33/86/300243386.db2.gz GZKHKGGUMUTUPD-MRXNPFEDSA-N 2 1 320.477 2.886 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000514612104 300262717 /nfs/dbraw/zinc/26/27/17/300262717.db2.gz JTVWEUKZQYHQEW-ZBFHGGJFSA-N 2 1 311.429 2.980 20 0 DFADMP CCc1[nH+]c2ccccc2c(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000515082145 300289488 /nfs/dbraw/zinc/28/94/88/300289488.db2.gz OUCHEIIRMFOUQT-ZWKOTPCHSA-N 2 1 311.429 2.625 20 0 DFADMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(-c2cnn(C)c2)c1 ZINC000515093622 300289843 /nfs/dbraw/zinc/28/98/43/300289843.db2.gz OTGRKBGDZUOROY-UHFFFAOYSA-N 2 1 300.450 2.779 20 0 DFADMP FC(F)(F)COc1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000516784741 300360975 /nfs/dbraw/zinc/36/09/75/300360975.db2.gz QCLYYZWLJXASRV-UHFFFAOYSA-N 2 1 302.340 2.813 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000517230093 300388416 /nfs/dbraw/zinc/38/84/16/300388416.db2.gz XVCHVLIWLGCKNP-YOEHRIQHSA-N 2 1 303.450 2.819 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000520978388 300513929 /nfs/dbraw/zinc/51/39/29/300513929.db2.gz ITJIWKGNRBFHEF-IBGZPJMESA-N 2 1 302.462 2.964 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]Cc2cccs2)c2cccs2)CC1 ZINC000521333002 300523011 /nfs/dbraw/zinc/52/30/11/300523011.db2.gz WVFGUUNMLSVFCO-OAHLLOKOSA-N 2 1 321.515 2.888 20 0 DFADMP FC(F)c1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000527218815 300644496 /nfs/dbraw/zinc/64/44/96/300644496.db2.gz RTTCUNBNQJVJHS-UHFFFAOYSA-N 2 1 323.431 2.838 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177515 301025715 /nfs/dbraw/zinc/02/57/15/301025715.db2.gz JMBKCUHGBWOSEN-GDBMZVCRSA-N 2 1 301.434 2.586 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530178672 301026087 /nfs/dbraw/zinc/02/60/87/301026087.db2.gz PUTODBVXAVMJNK-NVXWUHKLSA-N 2 1 315.461 2.895 20 0 DFADMP C[C@]1(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)COc2ccccc2O1 ZINC000530207872 301029101 /nfs/dbraw/zinc/02/91/01/301029101.db2.gz DZHDSUQGLVEYIC-BXWFABGCSA-N 2 1 310.397 2.951 20 0 DFADMP CC[C@@H](C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1)[NH+](CC)CC ZINC000531049001 301077298 /nfs/dbraw/zinc/07/72/98/301077298.db2.gz ZOPXYABYYDTCJE-KRWDZBQOSA-N 2 1 311.514 2.686 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531954328 301121168 /nfs/dbraw/zinc/12/11/68/301121168.db2.gz CJCRWZACIBSOIG-DNDYEEKYSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531954328 301121170 /nfs/dbraw/zinc/12/11/70/301121170.db2.gz CJCRWZACIBSOIG-DNDYEEKYSA-N 2 1 322.415 2.932 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]C(C2CC2)C2CC2)c2cccs2)CC1 ZINC000532188736 301135532 /nfs/dbraw/zinc/13/55/32/301135532.db2.gz VAURKQNGQRJMJY-INIZCTEOSA-N 2 1 319.518 2.815 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(OC)c2OC)[C@H](C)C1 ZINC000532210950 301136953 /nfs/dbraw/zinc/13/69/53/301136953.db2.gz KHZHUBXEJNIOBT-ZBFHGGJFSA-N 2 1 306.450 2.566 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000532459769 301154420 /nfs/dbraw/zinc/15/44/20/301154420.db2.gz HCKGRXBJQOIMKF-SJORKVTESA-N 2 1 311.514 2.878 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505385 301156561 /nfs/dbraw/zinc/15/65/61/301156561.db2.gz DFFGKRUMMWLPIW-ZIAGYGMSSA-N 2 1 301.434 2.564 20 0 DFADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000532967394 301179625 /nfs/dbraw/zinc/17/96/25/301179625.db2.gz AWNGWRDNBIRVAJ-YJBOKZPZSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCC[NH+](C[C@H]2CCCOC2)CC1 ZINC000533606413 301209891 /nfs/dbraw/zinc/20/98/91/301209891.db2.gz GTBOEDOMYNCUTA-OTWHNJEPSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C[C@@H]1CCCOC1)[C@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000533606413 301209893 /nfs/dbraw/zinc/20/98/93/301209893.db2.gz GTBOEDOMYNCUTA-OTWHNJEPSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C[C@@H]1CCCOC1)[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000533606413 301209895 /nfs/dbraw/zinc/20/98/95/301209895.db2.gz GTBOEDOMYNCUTA-OTWHNJEPSA-N 2 1 324.509 2.626 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315752 301227481 /nfs/dbraw/zinc/22/74/81/301227481.db2.gz VEQNCOBPPAHTKY-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315752 301227482 /nfs/dbraw/zinc/22/74/82/301227482.db2.gz VEQNCOBPPAHTKY-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315752 301227483 /nfs/dbraw/zinc/22/74/83/301227483.db2.gz VEQNCOBPPAHTKY-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000534974393 301240739 /nfs/dbraw/zinc/24/07/39/301240739.db2.gz NKMRGOCULPOPKK-DOTOQJQBSA-N 2 1 308.853 2.764 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000535005947 301241696 /nfs/dbraw/zinc/24/16/96/301241696.db2.gz YKRFAKCWTOMGMF-LJQANCHMSA-N 2 1 304.478 2.642 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000537237866 301296944 /nfs/dbraw/zinc/29/69/44/301296944.db2.gz UCSKTUFANRVGNI-RDJZCZTQSA-N 2 1 305.466 2.520 20 0 DFADMP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccn(C)n1 ZINC000541735835 301396005 /nfs/dbraw/zinc/39/60/05/301396005.db2.gz HBTVXKNBGTZASM-INIZCTEOSA-N 2 1 316.449 2.601 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccc(F)cc3)C2)CC1 ZINC000556203025 301788932 /nfs/dbraw/zinc/78/89/32/301788932.db2.gz WLXSRBHYHBFCOF-RZDIXWSQSA-N 2 1 306.425 2.772 20 0 DFADMP c1cnn(-c2cccc(C[NH2+]CCC[NH2+]Cc3cccnc3)c2)c1 ZINC000556935008 301820689 /nfs/dbraw/zinc/82/06/89/301820689.db2.gz LGQYJHOORAOSGT-UHFFFAOYSA-N 2 1 321.428 2.537 20 0 DFADMP Cc1cc(=O)[nH]c([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000562943238 302015725 /nfs/dbraw/zinc/01/57/25/302015725.db2.gz IVGRWZBENYQCQX-AWEZNQCLSA-N 2 1 306.454 2.604 20 0 DFADMP CC(C)[NH2+]CCC[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000562956474 302017274 /nfs/dbraw/zinc/01/72/74/302017274.db2.gz XKMBBMYZTNINFW-UHFFFAOYSA-N 2 1 321.484 2.810 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)c2ccccc21 ZINC000562960004 302018145 /nfs/dbraw/zinc/01/81/45/302018145.db2.gz GCLGKUNJDPONIC-GJZGRUSLSA-N 2 1 303.793 2.848 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959033 302018290 /nfs/dbraw/zinc/01/82/90/302018290.db2.gz QDNJHIDSCABAIA-BBWFWOEESA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959033 302018293 /nfs/dbraw/zinc/01/82/93/302018293.db2.gz QDNJHIDSCABAIA-BBWFWOEESA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959033 302018295 /nfs/dbraw/zinc/01/82/95/302018295.db2.gz QDNJHIDSCABAIA-BBWFWOEESA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959033 302018298 /nfs/dbraw/zinc/01/82/98/302018298.db2.gz QDNJHIDSCABAIA-BBWFWOEESA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]1COCC[N@@H+]1C1CCN(CCc2ccccc2F)CC1 ZINC000563367112 302067251 /nfs/dbraw/zinc/06/72/51/302067251.db2.gz WVVQIUWORDZHKI-HNNXBMFYSA-N 2 1 306.425 2.553 20 0 DFADMP C[C@H]1COCC[N@H+]1C1CCN(CCc2ccccc2F)CC1 ZINC000563367112 302067252 /nfs/dbraw/zinc/06/72/52/302067252.db2.gz WVVQIUWORDZHKI-HNNXBMFYSA-N 2 1 306.425 2.553 20 0 DFADMP C[C@@H]1COCC[N@@H+]1C1CCN(CCc2ccccc2F)CC1 ZINC000563367126 302067280 /nfs/dbraw/zinc/06/72/80/302067280.db2.gz WVVQIUWORDZHKI-OAHLLOKOSA-N 2 1 306.425 2.553 20 0 DFADMP C[C@@H]1COCC[N@H+]1C1CCN(CCc2ccccc2F)CC1 ZINC000563367126 302067282 /nfs/dbraw/zinc/06/72/82/302067282.db2.gz WVVQIUWORDZHKI-OAHLLOKOSA-N 2 1 306.425 2.553 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H](C)C[NH+]1CCCCC1 ZINC000563440832 302073046 /nfs/dbraw/zinc/07/30/46/302073046.db2.gz NNQPRKWDYSYSOY-HNNXBMFYSA-N 2 1 313.449 2.540 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000563804203 302099520 /nfs/dbraw/zinc/09/95/20/302099520.db2.gz BAQAZGLXAHAKOB-KKXDTOCCSA-N 2 1 313.445 2.849 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000563804203 302099521 /nfs/dbraw/zinc/09/95/21/302099521.db2.gz BAQAZGLXAHAKOB-KKXDTOCCSA-N 2 1 313.445 2.849 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)C1 ZINC000564464727 302136782 /nfs/dbraw/zinc/13/67/82/302136782.db2.gz AMFRXYDRPIAXTF-DDBAPUKQSA-N 2 1 305.466 2.614 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@@H]([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)C1 ZINC000564464727 302136785 /nfs/dbraw/zinc/13/67/85/302136785.db2.gz AMFRXYDRPIAXTF-DDBAPUKQSA-N 2 1 305.466 2.614 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564960173 302176931 /nfs/dbraw/zinc/17/69/31/302176931.db2.gz BGNUFUPSQNOAFF-GOSISDBHSA-N 2 1 310.445 2.739 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564960173 302176933 /nfs/dbraw/zinc/17/69/33/302176933.db2.gz BGNUFUPSQNOAFF-GOSISDBHSA-N 2 1 310.445 2.739 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCC[NH3+] ZINC000565477285 302226768 /nfs/dbraw/zinc/22/67/68/302226768.db2.gz HNTKADHMRMHBBJ-INIZCTEOSA-N 2 1 317.477 2.806 20 0 DFADMP CCN(C(=O)CCCC[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000565890563 302247264 /nfs/dbraw/zinc/24/72/64/302247264.db2.gz UJYLNBGYVVPHAP-WMZOPIPTSA-N 2 1 317.477 2.799 20 0 DFADMP O[C@@H]1CCCC[C@H]1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000565898507 302248085 /nfs/dbraw/zinc/24/80/85/302248085.db2.gz RVOMBLHXCIMFJI-QXAKKESOSA-N 2 1 317.477 2.577 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000565949232 302250064 /nfs/dbraw/zinc/25/00/64/302250064.db2.gz SHKZFMNYAGFMOE-MRXNPFEDSA-N 2 1 324.494 2.975 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000566017422 302253829 /nfs/dbraw/zinc/25/38/29/302253829.db2.gz VVJDSJHGYQDOBJ-FUHWJXTLSA-N 3 1 306.498 2.843 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000566091070 302258381 /nfs/dbraw/zinc/25/83/81/302258381.db2.gz ZRYXJCWDEUBZDP-RDJZCZTQSA-N 2 1 321.465 2.507 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000566293881 302275746 /nfs/dbraw/zinc/27/57/46/302275746.db2.gz JAYOGIBAQZPHHI-INIZCTEOSA-N 2 1 321.509 2.619 20 0 DFADMP O[C@H]1CCCC[C@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306610 302277701 /nfs/dbraw/zinc/27/77/01/302277701.db2.gz UFSXUGWQGYCMEP-HAGHYFMRSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@H]1CCCC[C@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306610 302277703 /nfs/dbraw/zinc/27/77/03/302277703.db2.gz UFSXUGWQGYCMEP-HAGHYFMRSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@H]1CCCC[C@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306610 302277706 /nfs/dbraw/zinc/27/77/06/302277706.db2.gz UFSXUGWQGYCMEP-HAGHYFMRSA-N 2 1 314.473 2.601 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cc(F)cc(F)c1 ZINC000566615340 302299138 /nfs/dbraw/zinc/29/91/38/302299138.db2.gz JTCDAUCWJAHGQO-CVEARBPZSA-N 2 1 323.387 2.510 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)Nc1cc(F)cc(F)c1 ZINC000566615340 302299141 /nfs/dbraw/zinc/29/91/41/302299141.db2.gz JTCDAUCWJAHGQO-CVEARBPZSA-N 2 1 323.387 2.510 20 0 DFADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000566686171 302304372 /nfs/dbraw/zinc/30/43/72/302304372.db2.gz BYTSJAYJMCEJBX-GUDVDZBRSA-N 2 1 304.478 2.957 20 0 DFADMP COc1cc2c(cc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)O[C@@H](C)C2 ZINC000566705902 302305356 /nfs/dbraw/zinc/30/53/56/302305356.db2.gz QTICKQROEVBZCJ-JKIFEVAISA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C)O[C@@H](C)C2 ZINC000566705902 302305357 /nfs/dbraw/zinc/30/53/57/302305357.db2.gz QTICKQROEVBZCJ-JKIFEVAISA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C)O[C@@H](C)C2 ZINC000566705902 302305359 /nfs/dbraw/zinc/30/53/59/302305359.db2.gz QTICKQROEVBZCJ-JKIFEVAISA-N 2 1 318.461 2.791 20 0 DFADMP CC[C@H](C)C[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000567111650 302336762 /nfs/dbraw/zinc/33/67/62/302336762.db2.gz SUJIGAQXVDMQCW-WMLDXEAASA-N 2 1 319.449 2.618 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)CC2)n1 ZINC000567298970 302348273 /nfs/dbraw/zinc/34/82/73/302348273.db2.gz ZKWHLFOXZWWTDE-SWHNLWLKSA-N 2 1 318.465 2.867 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378219 302355286 /nfs/dbraw/zinc/35/52/86/302355286.db2.gz TVIODIZEEYVWEX-CQSZACIVSA-N 2 1 323.868 2.990 20 0 DFADMP c1ccc([C@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)C2CC2)cc1 ZINC000567580882 302369788 /nfs/dbraw/zinc/36/97/88/302369788.db2.gz ACSPGTDYMMKMFP-KRWDZBQOSA-N 2 1 311.433 2.513 20 0 DFADMP c1ccc([C@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CC2)cc1 ZINC000567580882 302369790 /nfs/dbraw/zinc/36/97/90/302369790.db2.gz ACSPGTDYMMKMFP-KRWDZBQOSA-N 2 1 311.433 2.513 20 0 DFADMP C[C@@H](O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851578 302392882 /nfs/dbraw/zinc/39/28/82/302392882.db2.gz QEOWMNDWFGCTCV-SJLPKXTDSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851578 302392884 /nfs/dbraw/zinc/39/28/84/302392884.db2.gz QEOWMNDWFGCTCV-SJLPKXTDSA-N 2 1 302.462 2.934 20 0 DFADMP COCCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567871619 302395004 /nfs/dbraw/zinc/39/50/04/302395004.db2.gz XZUQSXLLQOOQPB-IBGZPJMESA-N 2 1 318.461 2.677 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567871619 302395007 /nfs/dbraw/zinc/39/50/07/302395007.db2.gz XZUQSXLLQOOQPB-IBGZPJMESA-N 2 1 318.461 2.677 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)c2ccccc21 ZINC000568499299 302454445 /nfs/dbraw/zinc/45/44/45/302454445.db2.gz FLFGVQZOIOGFAS-WOJBJXKFSA-N 2 1 323.440 2.758 20 0 DFADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000570709417 302588702 /nfs/dbraw/zinc/58/87/02/302588702.db2.gz WQDSPRLQXBPWEW-IUODEOHRSA-N 2 1 310.388 2.907 20 0 DFADMP CC(C)c1[nH+]ccn1CCc1nc(C2([NH3+])CCCCC2)no1 ZINC000571038761 302602112 /nfs/dbraw/zinc/60/21/12/302602112.db2.gz HUJSJFUWLCPCIS-UHFFFAOYSA-N 2 1 303.410 2.750 20 0 DFADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000573305628 302700235 /nfs/dbraw/zinc/70/02/35/302700235.db2.gz FGEHQTRSAWNHHF-PBWTXFEYSA-N 3 1 301.478 2.834 20 0 DFADMP C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@@H]1CCC[NH2+]C1 ZINC000574268938 302749605 /nfs/dbraw/zinc/74/96/05/302749605.db2.gz KCTUWRYCKCERMZ-QFBILLFUSA-N 2 1 301.478 2.760 20 0 DFADMP CC(C)CO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000181751432 316071133 /nfs/dbraw/zinc/07/11/33/316071133.db2.gz UXLJOFIIYMBWMM-HOTGVXAUSA-N 2 1 312.498 2.527 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(CC)CC ZINC000181751192 316071460 /nfs/dbraw/zinc/07/14/60/316071460.db2.gz YQTIPFBHJFGPSK-HOTGVXAUSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000182269526 316093352 /nfs/dbraw/zinc/09/33/52/316093352.db2.gz UEXNWHATSNJQAC-KSSFIOAISA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1nccn1C ZINC000182807811 316120007 /nfs/dbraw/zinc/12/00/07/316120007.db2.gz HMZGKFKTVAMWDD-HNNXBMFYSA-N 2 1 316.449 2.601 20 0 DFADMP CCC(C)(C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718376 316190857 /nfs/dbraw/zinc/19/08/57/316190857.db2.gz ASULZVWMZQGXIN-CABCVRRESA-N 2 1 309.498 2.534 20 0 DFADMP CCC(C)(C)NC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718376 316190860 /nfs/dbraw/zinc/19/08/60/316190860.db2.gz ASULZVWMZQGXIN-CABCVRRESA-N 2 1 309.498 2.534 20 0 DFADMP CCCN(CCC)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745659 316191063 /nfs/dbraw/zinc/19/10/63/316191063.db2.gz WCPAZJFTVHZNNW-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCCN(CCC)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745659 316191067 /nfs/dbraw/zinc/19/10/67/316191067.db2.gz WCPAZJFTVHZNNW-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCOC(=O)CCCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710005 316191347 /nfs/dbraw/zinc/19/13/47/316191347.db2.gz SMIHGHZGYSKGHJ-HOTGVXAUSA-N 2 1 310.482 2.962 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000299872973 316235004 /nfs/dbraw/zinc/23/50/04/316235004.db2.gz QFDLEYNKCROZSX-HRCADAONSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000314993026 316241894 /nfs/dbraw/zinc/24/18/94/316241894.db2.gz ZTTPIEDOUISWOW-OAHLLOKOSA-N 2 1 304.434 2.668 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000314993026 316241898 /nfs/dbraw/zinc/24/18/98/316241898.db2.gz ZTTPIEDOUISWOW-OAHLLOKOSA-N 2 1 304.434 2.668 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000337599391 316301835 /nfs/dbraw/zinc/30/18/35/316301835.db2.gz QVPLBDIGSZKIQE-CVEARBPZSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000337599391 316301840 /nfs/dbraw/zinc/30/18/40/316301840.db2.gz QVPLBDIGSZKIQE-CVEARBPZSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1OC ZINC000337599392 316302076 /nfs/dbraw/zinc/30/20/76/316302076.db2.gz QVPLBDIGSZKIQE-HOTGVXAUSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1OC ZINC000337599392 316302078 /nfs/dbraw/zinc/30/20/78/316302078.db2.gz QVPLBDIGSZKIQE-HOTGVXAUSA-N 2 1 304.434 2.810 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000346087007 316318045 /nfs/dbraw/zinc/31/80/45/316318045.db2.gz UANYKXCDKRKXKS-SJLPKXTDSA-N 2 1 317.477 2.541 20 0 DFADMP C[N@H+]1CC[C@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000349930578 316371100 /nfs/dbraw/zinc/37/11/00/316371100.db2.gz XKQPHYGCNDTIQL-INIZCTEOSA-N 2 1 312.417 2.752 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000360015525 316572801 /nfs/dbraw/zinc/57/28/01/316572801.db2.gz LIIKSEZEGMKXQZ-HUUCEWRRSA-N 2 1 313.401 2.710 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000360015524 316572832 /nfs/dbraw/zinc/57/28/32/316572832.db2.gz LIIKSEZEGMKXQZ-GJZGRUSLSA-N 2 1 313.401 2.710 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000360019949 316573637 /nfs/dbraw/zinc/57/36/37/316573637.db2.gz SMXGCJAZNOLNKX-UONOGXRCSA-N 2 1 315.417 2.874 20 0 DFADMP COC(=O)C1(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CC1 ZINC000450493932 317096844 /nfs/dbraw/zinc/09/68/44/317096844.db2.gz HQDDFBOQDRDTTE-INIZCTEOSA-N 2 1 322.493 2.916 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000453351946 317178753 /nfs/dbraw/zinc/17/87/53/317178753.db2.gz MVONPOOWLHIBQV-LNRIEFBSSA-N 2 1 311.433 2.543 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459335401 317319900 /nfs/dbraw/zinc/31/99/00/317319900.db2.gz NXBLRCMGZJDDCR-AYBZRNKSSA-N 2 1 302.462 2.567 20 0 DFADMP O[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000459510844 317327920 /nfs/dbraw/zinc/32/79/20/317327920.db2.gz MEWUHQWTTCRXRM-WFASDCNBSA-N 2 1 320.399 2.686 20 0 DFADMP O[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000459510842 317327942 /nfs/dbraw/zinc/32/79/42/317327942.db2.gz MEWUHQWTTCRXRM-IUODEOHRSA-N 2 1 320.399 2.686 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488430224 317392699 /nfs/dbraw/zinc/39/26/99/317392699.db2.gz JXEVPBLZTNBIIV-IRXDYDNUSA-N 2 1 313.555 2.524 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491594441 317586273 /nfs/dbraw/zinc/58/62/73/317586273.db2.gz QHEFWLSBKNLRGR-NSHDSACASA-N 2 1 315.255 2.745 20 0 DFADMP C[C@H](CCCC[NH3+])NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000494706612 317664744 /nfs/dbraw/zinc/66/47/44/317664744.db2.gz FYCYABOENDIDAF-DOMZBBRYSA-N 2 1 311.857 2.576 20 0 DFADMP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C(C1CCC1)C1CCC1 ZINC000530212197 317776198 /nfs/dbraw/zinc/77/61/98/317776198.db2.gz PRVAUPIHQASRSI-UHOSZYNNSA-N 2 1 306.494 2.950 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(CCCc2c[nH+]cn2C)C1 ZINC000570938117 317972518 /nfs/dbraw/zinc/97/25/18/317972518.db2.gz CFRIZYIHJIVKNQ-NUJGCVRESA-N 2 1 304.482 2.690 20 0 DFADMP COCCOCc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000573402333 318018065 /nfs/dbraw/zinc/01/80/65/318018065.db2.gz JRJPEUZWJSVVPB-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cs1 ZINC000574572262 318025408 /nfs/dbraw/zinc/02/54/08/318025408.db2.gz LXFZFVNSRPJPJA-MRXNPFEDSA-N 2 1 302.447 2.714 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cs1 ZINC000574572262 318025409 /nfs/dbraw/zinc/02/54/09/318025409.db2.gz LXFZFVNSRPJPJA-MRXNPFEDSA-N 2 1 302.447 2.714 20 0 DFADMP CCc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000574620439 318028460 /nfs/dbraw/zinc/02/84/60/318028460.db2.gz KPPTWCAKGJBNNZ-UHFFFAOYSA-N 2 1 307.507 2.617 20 0 DFADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000574619740 318028626 /nfs/dbraw/zinc/02/86/26/318028626.db2.gz CKIXQSNSYUKGID-AAEUAGOBSA-N 2 1 317.355 2.643 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[NH2+]C3CC3)cc2)C1 ZINC000574770961 318040010 /nfs/dbraw/zinc/04/00/10/318040010.db2.gz NCTGKNFHIPHYPY-HNNXBMFYSA-N 2 1 315.461 2.999 20 0 DFADMP Cc1nn2c(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000574782089 318040556 /nfs/dbraw/zinc/04/05/56/318040556.db2.gz HCMNQJJYKDFWME-AAEUAGOBSA-N 2 1 321.494 2.700 20 0 DFADMP CC(C)[NH2+]CCC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000575201576 318070360 /nfs/dbraw/zinc/07/03/60/318070360.db2.gz COQPHVNPRKUUMQ-UHFFFAOYSA-N 2 1 305.466 2.531 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000575450155 318077689 /nfs/dbraw/zinc/07/76/89/318077689.db2.gz SRIUOTNCBUVVRY-JQHSSLGASA-N 2 1 323.525 2.780 20 0 DFADMP CC[C@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000576137617 318106441 /nfs/dbraw/zinc/10/64/41/318106441.db2.gz IKVOWYBDRHHPGD-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP CC[C@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000576137617 318106444 /nfs/dbraw/zinc/10/64/44/318106444.db2.gz IKVOWYBDRHHPGD-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000576587149 318136457 /nfs/dbraw/zinc/13/64/57/318136457.db2.gz GCJFXUUFASVOSV-KRWDZBQOSA-N 2 1 317.477 2.655 20 0 DFADMP Cc1sc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c(C)c1C ZINC000576761245 318148423 /nfs/dbraw/zinc/14/84/23/318148423.db2.gz FPOXFQDPTSYKCF-UHFFFAOYSA-N 2 1 309.479 2.673 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000576842508 318154966 /nfs/dbraw/zinc/15/49/66/318154966.db2.gz MMIRNFNAYMKTOC-UGUYLWEFSA-N 2 1 307.507 2.671 20 0 DFADMP Cc1cc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000577037448 318166643 /nfs/dbraw/zinc/16/66/43/318166643.db2.gz NQABOZYHZNRHDR-AWEZNQCLSA-N 2 1 315.421 2.639 20 0 DFADMP Cc1cc(NC(=O)NCC[N@@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000577037448 318166645 /nfs/dbraw/zinc/16/66/45/318166645.db2.gz NQABOZYHZNRHDR-AWEZNQCLSA-N 2 1 315.421 2.639 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+](CCCc2ccsc2)CC1 ZINC000577224309 318179238 /nfs/dbraw/zinc/17/92/38/318179238.db2.gz VIMHGJGWUWJONF-UHFFFAOYSA-N 2 1 308.491 2.507 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000577283494 318183267 /nfs/dbraw/zinc/18/32/67/318183267.db2.gz ZJXCVZGBYDEPMR-DOTOQJQBSA-N 2 1 323.525 2.863 20 0 DFADMP CCc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)s1 ZINC000577306317 318184195 /nfs/dbraw/zinc/18/41/95/318184195.db2.gz XMRYOHYQOFIHHC-UHFFFAOYSA-N 2 1 309.523 2.768 20 0 DFADMP C[N@@H+](CCC[NH2+]C[C@@H](O)Cc1ccccc1)Cc1ccccc1 ZINC000577500433 318197362 /nfs/dbraw/zinc/19/73/62/318197362.db2.gz JEOQXZHVCWXDER-FQEVSTJZSA-N 2 1 312.457 2.702 20 0 DFADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000577507079 318198163 /nfs/dbraw/zinc/19/81/63/318198163.db2.gz OYHLUNMIEQRTPS-SOLBZPMBSA-N 2 1 317.477 2.621 20 0 DFADMP OC(C[NH+]1CC[C@@H]2CCCC[C@@H]21)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000577865114 318223297 /nfs/dbraw/zinc/22/32/97/318223297.db2.gz HRWOZJLIQDQTAT-CAMMJAKZSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1=CC[N@@H+](C)CC1 ZINC000577948576 318227656 /nfs/dbraw/zinc/22/76/56/318227656.db2.gz NZPFGQKFTWLOIM-IIBYNOLFSA-N 2 1 324.468 2.983 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000579258216 318318820 /nfs/dbraw/zinc/31/88/20/318318820.db2.gz GCLFOHVBAGTAAD-LNLFQRSKSA-N 2 1 319.493 2.936 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000579827172 318356767 /nfs/dbraw/zinc/35/67/67/318356767.db2.gz IRYIURUZXINCHK-ALOPSCKCSA-N 2 1 316.449 2.591 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000378889317 323287645 /nfs/dbraw/zinc/28/76/45/323287645.db2.gz OPLKPDZOZLHJMO-ZNMIVQPWSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(OC)c1 ZINC000378889317 323287647 /nfs/dbraw/zinc/28/76/47/323287647.db2.gz OPLKPDZOZLHJMO-ZNMIVQPWSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379637921 323290839 /nfs/dbraw/zinc/29/08/39/323290839.db2.gz TUDAUJFPICWEHO-LPHOPBHVSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379637921 323290841 /nfs/dbraw/zinc/29/08/41/323290841.db2.gz TUDAUJFPICWEHO-LPHOPBHVSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000382712578 323301802 /nfs/dbraw/zinc/30/18/02/323301802.db2.gz WCERTMBLAXTLNU-RBUKOAKNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000398200967 323356775 /nfs/dbraw/zinc/35/67/75/323356775.db2.gz PMVXEASPAIHDRF-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000398200967 323356779 /nfs/dbraw/zinc/35/67/79/323356779.db2.gz PMVXEASPAIHDRF-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000398200967 323356783 /nfs/dbraw/zinc/35/67/83/323356783.db2.gz PMVXEASPAIHDRF-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000582730076 323727365 /nfs/dbraw/zinc/72/73/65/323727365.db2.gz JQQIZXAIUXZLAY-AWEZNQCLSA-N 2 1 314.433 2.782 20 0 DFADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000583032710 323783456 /nfs/dbraw/zinc/78/34/56/323783456.db2.gz QJINGVXHWUEWQE-MRXNPFEDSA-N 2 1 309.360 2.608 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000584296799 332227382 /nfs/dbraw/zinc/22/73/82/332227382.db2.gz IWBZZGOKOQSEAU-UHFFFAOYSA-N 2 1 323.440 2.711 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000584296799 332227384 /nfs/dbraw/zinc/22/73/84/332227384.db2.gz IWBZZGOKOQSEAU-UHFFFAOYSA-N 2 1 323.440 2.711 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378690 337232926 /nfs/dbraw/zinc/23/29/26/337232926.db2.gz UBKDAELLZZCJSH-RHSMWYFYSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378690 337232927 /nfs/dbraw/zinc/23/29/27/337232927.db2.gz UBKDAELLZZCJSH-RHSMWYFYSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378690 337232928 /nfs/dbraw/zinc/23/29/28/337232928.db2.gz UBKDAELLZZCJSH-RHSMWYFYSA-N 2 1 316.474 2.850 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCOC1)C[NH2+]CC2 ZINC000584475161 337346237 /nfs/dbraw/zinc/34/62/37/337346237.db2.gz WELYHAHGEUPDJQ-PKOBYXMFSA-N 2 1 300.446 2.723 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000319663096 533761905 /nfs/dbraw/zinc/76/19/05/533761905.db2.gz MGTNGKXFGMUCMM-CABCVRRESA-N 2 1 308.466 2.953 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000319663096 533761920 /nfs/dbraw/zinc/76/19/20/533761920.db2.gz MGTNGKXFGMUCMM-CABCVRRESA-N 2 1 308.466 2.953 20 0 DFADMP Cc1cc(NC(=O)NCCC[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000296738919 533965603 /nfs/dbraw/zinc/96/56/03/533965603.db2.gz CWLDUFFKVZKWRF-UHFFFAOYSA-N 2 1 315.421 2.640 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310006356 534410348 /nfs/dbraw/zinc/41/03/48/534410348.db2.gz HWTJIVUCXINUBC-FUMNGEBKSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310006356 534410351 /nfs/dbraw/zinc/41/03/51/534410351.db2.gz HWTJIVUCXINUBC-FUMNGEBKSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310006356 534410357 /nfs/dbraw/zinc/41/03/57/534410357.db2.gz HWTJIVUCXINUBC-FUMNGEBKSA-N 2 1 314.473 2.744 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000366353586 520003293 /nfs/dbraw/zinc/00/32/93/520003293.db2.gz JZXGXGCRTPQGAN-RDJZCZTQSA-N 2 1 301.434 2.609 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364983616 521108166 /nfs/dbraw/zinc/10/81/66/521108166.db2.gz RRRLOWGTTIBLFE-ROUUACIJSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366330348 521114984 /nfs/dbraw/zinc/11/49/84/521114984.db2.gz QTKUIVYYRNREFN-VNQPRFMTSA-N 2 1 323.868 2.576 20 0 DFADMP CCC(CC)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371091943 521495359 /nfs/dbraw/zinc/49/53/59/521495359.db2.gz XWLJAEOUHFITPB-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000163269228 521717755 /nfs/dbraw/zinc/71/77/55/521717755.db2.gz SNZDXKJLJICYNC-JKSUJKDBSA-N 2 1 315.461 2.806 20 0 DFADMP CC[N@H+]1CCc2c(cccc2NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000366338238 521723658 /nfs/dbraw/zinc/72/36/58/521723658.db2.gz NGNXYJSMHSQXSO-UHFFFAOYSA-N 2 1 315.461 2.735 20 0 DFADMP COC[C@@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000162794869 522348969 /nfs/dbraw/zinc/34/89/69/522348969.db2.gz KHHUSDBSGKMEEF-QGZVFWFLSA-N 2 1 321.465 2.518 20 0 DFADMP C[N@H+](CCOc1ccccc1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366010842 522922670 /nfs/dbraw/zinc/92/26/70/522922670.db2.gz STRGYWCXQJBTKQ-AWEZNQCLSA-N 2 1 303.381 2.595 20 0 DFADMP C[N@@H+](CCOc1ccccc1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366010842 522922678 /nfs/dbraw/zinc/92/26/78/522922678.db2.gz STRGYWCXQJBTKQ-AWEZNQCLSA-N 2 1 303.381 2.595 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156435741 523175653 /nfs/dbraw/zinc/17/56/53/523175653.db2.gz LVOPQHFTZUGAEH-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000190772424 524222503 /nfs/dbraw/zinc/22/25/03/524222503.db2.gz KRHSCTZWDZDRKA-OAHLLOKOSA-N 2 1 307.486 2.635 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128344136 525540040 /nfs/dbraw/zinc/54/00/40/525540040.db2.gz ZADWXJSPWVYYHW-APWZRJJASA-N 2 1 301.478 2.537 20 0 DFADMP c1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)o2)n[nH]1 ZINC000366031738 526411119 /nfs/dbraw/zinc/41/11/19/526411119.db2.gz XMXQTPKQZQEYGC-OAHLLOKOSA-N 2 1 314.433 2.978 20 0 DFADMP c1cc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)o2)n[nH]1 ZINC000366031738 526411123 /nfs/dbraw/zinc/41/11/23/526411123.db2.gz XMXQTPKQZQEYGC-OAHLLOKOSA-N 2 1 314.433 2.978 20 0 DFADMP Clc1nccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000365683137 527009357 /nfs/dbraw/zinc/00/93/57/527009357.db2.gz WRVGDIRCZIJDBK-SNVBAGLBSA-N 2 1 311.216 2.937 20 0 DFADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000157610805 527631761 /nfs/dbraw/zinc/63/17/61/527631761.db2.gz LKJTXVDQCLFBMN-GOSISDBHSA-N 2 1 318.509 2.981 20 0 DFADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000157610805 527631767 /nfs/dbraw/zinc/63/17/67/527631767.db2.gz LKJTXVDQCLFBMN-GOSISDBHSA-N 2 1 318.509 2.981 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1 ZINC000299609912 528002845 /nfs/dbraw/zinc/00/28/45/528002845.db2.gz OEQURTMKVJSMOZ-HNNXBMFYSA-N 2 1 305.466 2.598 20 0 DFADMP CC(C)CNC(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309764494 528030362 /nfs/dbraw/zinc/03/03/62/528030362.db2.gz YZFYKPXPLLDCMD-QGZVFWFLSA-N 2 1 302.466 2.669 20 0 DFADMP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309695805 528879957 /nfs/dbraw/zinc/87/99/57/528879957.db2.gz DJRABZYLXKOMDW-UHOSZYNNSA-N 2 1 304.478 2.894 20 0 DFADMP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302152364 529152208 /nfs/dbraw/zinc/15/22/08/529152208.db2.gz LATFDUGJRSAJOJ-MRXNPFEDSA-N 2 1 312.461 2.981 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)ccc2O1 ZINC000262006841 534945437 /nfs/dbraw/zinc/94/54/37/534945437.db2.gz LXHOTNIENQCVOX-UHFFFAOYSA-N 2 1 300.446 2.976 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000361033288 534958881 /nfs/dbraw/zinc/95/88/81/534958881.db2.gz JGTQGFPNZASQIL-CZUORRHYSA-N 2 1 319.424 2.921 20 0 DFADMP CCN(CC)C(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000361802126 535391714 /nfs/dbraw/zinc/39/17/14/535391714.db2.gz AAKYJVHAXGIXGV-QGZVFWFLSA-N 2 1 302.466 2.765 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000361510189 535496730 /nfs/dbraw/zinc/49/67/30/535496730.db2.gz ZJZUELNZZOXTRA-UHFFFAOYSA-N 2 1 307.486 2.587 20 0 DFADMP CCOc1ccccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000361345150 535540237 /nfs/dbraw/zinc/54/02/37/535540237.db2.gz HPZIWGBLOYHOPK-SJORKVTESA-N 2 1 320.477 2.973 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000246107572 535690618 /nfs/dbraw/zinc/69/06/18/535690618.db2.gz JOUUPFZZIBRAAP-HOCLYGCPSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000246107572 535690625 /nfs/dbraw/zinc/69/06/25/535690625.db2.gz JOUUPFZZIBRAAP-HOCLYGCPSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000246107572 535690629 /nfs/dbraw/zinc/69/06/29/535690629.db2.gz JOUUPFZZIBRAAP-HOCLYGCPSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000246107572 535690634 /nfs/dbraw/zinc/69/06/34/535690634.db2.gz JOUUPFZZIBRAAP-HOCLYGCPSA-N 2 1 322.522 2.905 20 0 DFADMP CC[C@@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245663207 535812119 /nfs/dbraw/zinc/81/21/19/535812119.db2.gz GEZZYKZWBUGRKO-FCGDIQPGSA-N 2 1 302.462 2.933 20 0 DFADMP CCc1cccc(F)c1C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000354351103 535890992 /nfs/dbraw/zinc/89/09/92/535890992.db2.gz JOYLWKFMZIYTEJ-INIZCTEOSA-N 2 1 308.441 2.715 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012207 535936432 /nfs/dbraw/zinc/93/64/32/535936432.db2.gz HDARLASBVKAQJM-VNQPRFMTSA-N 2 1 304.434 2.839 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012207 535936437 /nfs/dbraw/zinc/93/64/37/535936437.db2.gz HDARLASBVKAQJM-VNQPRFMTSA-N 2 1 304.434 2.839 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000358248625 536010836 /nfs/dbraw/zinc/01/08/36/536010836.db2.gz MFCQEIDEISMXCV-SJORKVTESA-N 2 1 305.441 2.604 20 0 DFADMP C[NH2+][C@@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000261927918 536361687 /nfs/dbraw/zinc/36/16/87/536361687.db2.gz CJSBADQTYFBRCH-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2c[nH]nc2-c2ccccc2F)C1 ZINC000680932860 545566203 /nfs/dbraw/zinc/56/62/03/545566203.db2.gz QBYKXEFHDGZKTC-WBMJQRKESA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2c[nH]nc2-c2ccccc2F)C1 ZINC000680932860 545566206 /nfs/dbraw/zinc/56/62/06/545566206.db2.gz QBYKXEFHDGZKTC-WBMJQRKESA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000680932753 545566412 /nfs/dbraw/zinc/56/64/12/545566412.db2.gz OEEMLZWPXDJILT-XHDPSFHLSA-N 2 1 320.387 2.785 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000680932753 545566415 /nfs/dbraw/zinc/56/64/15/545566415.db2.gz OEEMLZWPXDJILT-XHDPSFHLSA-N 2 1 320.387 2.785 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000681089983 545594813 /nfs/dbraw/zinc/59/48/13/545594813.db2.gz JBEBIHZYTYJUKI-MJGOQNOKSA-N 2 1 312.461 2.773 20 0 DFADMP Cc1nc2c([nH]1)C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)CC2 ZINC000681509105 545655947 /nfs/dbraw/zinc/65/59/47/545655947.db2.gz MHQPZSTYQZZUKM-AWEZNQCLSA-N 2 1 312.417 2.523 20 0 DFADMP CCn1c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000681914606 545750637 /nfs/dbraw/zinc/75/06/37/545750637.db2.gz KQUUFSBONXRXRR-OAHLLOKOSA-N 2 1 323.444 2.947 20 0 DFADMP CCn1c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000681914606 545750643 /nfs/dbraw/zinc/75/06/43/545750643.db2.gz KQUUFSBONXRXRR-OAHLLOKOSA-N 2 1 323.444 2.947 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000682071148 545788129 /nfs/dbraw/zinc/78/81/29/545788129.db2.gz HEOBNMSMPMITJO-NSISKUIASA-N 2 1 313.489 2.632 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682076608 545791314 /nfs/dbraw/zinc/79/13/14/545791314.db2.gz XPDFFBOGTLNUTK-QUCCMNQESA-N 2 1 313.489 2.776 20 0 DFADMP Fc1ccc([C@H](N[C@@H]2CC[N@@H+](CC3CC3)C2)c2ncc[nH]2)cc1 ZINC000682132326 545802146 /nfs/dbraw/zinc/80/21/46/545802146.db2.gz BAMBEMGMVQENTO-SJORKVTESA-N 2 1 314.408 2.712 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682133152 545803348 /nfs/dbraw/zinc/80/33/48/545803348.db2.gz LQNGWTVKWUWPEP-CRAIPNDOSA-N 2 1 320.452 2.990 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000683471306 546039249 /nfs/dbraw/zinc/03/92/49/546039249.db2.gz PSQUJOJEEZYOCR-GFCCVEGCSA-N 2 1 305.809 2.897 20 0 DFADMP CCn1c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)nc2ccccc21 ZINC000683473044 546039797 /nfs/dbraw/zinc/03/97/97/546039797.db2.gz OTHWMVOWKPIBLC-AWEZNQCLSA-N 2 1 309.417 2.605 20 0 DFADMP FC(F)(F)c1cccnc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000683471338 546039843 /nfs/dbraw/zinc/03/98/43/546039843.db2.gz RLDKGOCKDRNUAA-NSHDSACASA-N 2 1 310.323 2.649 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1C ZINC000683703121 546078994 /nfs/dbraw/zinc/07/89/94/546078994.db2.gz JWUUPUUILMXMRC-SFHVURJKSA-N 2 1 318.461 2.737 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022720 546136791 /nfs/dbraw/zinc/13/67/91/546136791.db2.gz PFLINJTYYVFZKV-NZSAHSFTSA-N 2 1 313.445 2.851 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022720 546136796 /nfs/dbraw/zinc/13/67/96/546136796.db2.gz PFLINJTYYVFZKV-NZSAHSFTSA-N 2 1 313.445 2.851 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000684112692 546153537 /nfs/dbraw/zinc/15/35/37/546153537.db2.gz XQIYPHKOZVVPLW-LTIDMASMSA-N 2 1 302.466 2.663 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCC[C@@H](OC)C3)CCCC2)CC1 ZINC000684379215 546205382 /nfs/dbraw/zinc/20/53/82/546205382.db2.gz CIEHETLGMQNBLV-SJLPKXTDSA-N 2 1 324.509 2.957 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684410908 546211933 /nfs/dbraw/zinc/21/19/33/546211933.db2.gz COWGWNVFORFLGA-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C2CC2)O1 ZINC000684411137 546211961 /nfs/dbraw/zinc/21/19/61/546211961.db2.gz AQEBCJPTIABBDS-BEFAXECRSA-N 2 1 318.461 2.626 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc2nccn2c1 ZINC000685079325 546326717 /nfs/dbraw/zinc/32/67/17/546326717.db2.gz FOIVIZCQWUNWQW-ZDUSSCGKSA-N 2 1 303.410 2.576 20 0 DFADMP C[N@@H+](C/C=C\c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457729 546353628 /nfs/dbraw/zinc/35/36/28/546353628.db2.gz KYKXHVBKDPMLRD-QKWWCAPFSA-N 2 1 313.489 2.800 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000685462678 546355222 /nfs/dbraw/zinc/35/52/22/546355222.db2.gz BJLHEJIHXLJOOD-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000685462678 546355226 /nfs/dbraw/zinc/35/52/26/546355226.db2.gz BJLHEJIHXLJOOD-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP C[N@H+](C[C@H]1CCn2cc[nH+]c2C1)C[C@H]1CCOc2ccccc21 ZINC000685464979 546356499 /nfs/dbraw/zinc/35/64/99/546356499.db2.gz FXZXSEQYMNTXKW-JKSUJKDBSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@@H+](C[C@H]1CCn2cc[nH+]c2C1)C[C@H]1CCOc2ccccc21 ZINC000685464979 546356501 /nfs/dbraw/zinc/35/65/01/546356501.db2.gz FXZXSEQYMNTXKW-JKSUJKDBSA-N 2 1 311.429 2.944 20 0 DFADMP COC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000685651727 546381659 /nfs/dbraw/zinc/38/16/59/546381659.db2.gz DCNPYTBVAACLLU-LSDHHAIUSA-N 2 1 305.809 2.829 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc([S@@](C)=O)cc1 ZINC000272876894 210267463 /nfs/dbraw/zinc/26/74/63/210267463.db2.gz BRXWGNXDWLUJKA-CMPZQBNXSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc([S@@](C)=O)cc1 ZINC000272876894 210267465 /nfs/dbraw/zinc/26/74/65/210267465.db2.gz BRXWGNXDWLUJKA-CMPZQBNXSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278390451 214136098 /nfs/dbraw/zinc/13/60/98/214136098.db2.gz AHMGRQJJILGPTL-HOJOPBEUSA-N 2 1 314.832 2.831 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278626210 214284498 /nfs/dbraw/zinc/28/44/98/214284498.db2.gz RRYVIAYAOJREAW-HOTGVXAUSA-N 2 1 306.450 2.847 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278728529 214359674 /nfs/dbraw/zinc/35/96/74/214359674.db2.gz WETJUBYCAYQWFL-HOTGVXAUSA-N 2 1 306.450 2.847 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278728529 214359677 /nfs/dbraw/zinc/35/96/77/214359677.db2.gz WETJUBYCAYQWFL-HOTGVXAUSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc(Cl)cs2)CCCO1 ZINC000278764655 214384235 /nfs/dbraw/zinc/38/42/35/214384235.db2.gz OFRMURFFGNEQQA-GFCCVEGCSA-N 2 1 302.871 2.992 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc(Cl)cs2)CCCO1 ZINC000278764655 214384236 /nfs/dbraw/zinc/38/42/36/214384236.db2.gz OFRMURFFGNEQQA-GFCCVEGCSA-N 2 1 302.871 2.992 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000591904815 398347947 /nfs/dbraw/zinc/34/79/47/398347947.db2.gz AUWODOSNRSXXRO-UXLLHSPISA-N 2 1 318.465 2.618 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000591904815 398347952 /nfs/dbraw/zinc/34/79/52/398347952.db2.gz AUWODOSNRSXXRO-UXLLHSPISA-N 2 1 318.465 2.618 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000591904815 398347956 /nfs/dbraw/zinc/34/79/56/398347956.db2.gz AUWODOSNRSXXRO-UXLLHSPISA-N 2 1 318.465 2.618 20 0 DFADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905010 398348560 /nfs/dbraw/zinc/34/85/60/398348560.db2.gz AVUNQFIGVGWREX-UKRRQHHQSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905010 398348563 /nfs/dbraw/zinc/34/85/63/398348563.db2.gz AVUNQFIGVGWREX-UKRRQHHQSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905010 398348566 /nfs/dbraw/zinc/34/85/66/398348566.db2.gz AVUNQFIGVGWREX-UKRRQHHQSA-N 2 1 306.454 2.522 20 0 DFADMP COc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081631560 398363339 /nfs/dbraw/zinc/36/33/39/398363339.db2.gz GYLJTLZJNFIYPB-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081631560 398363343 /nfs/dbraw/zinc/36/33/43/398363343.db2.gz GYLJTLZJNFIYPB-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081631560 398363346 /nfs/dbraw/zinc/36/33/46/398363346.db2.gz GYLJTLZJNFIYPB-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081631560 398363349 /nfs/dbraw/zinc/36/33/49/398363349.db2.gz GYLJTLZJNFIYPB-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000290065857 282209752 /nfs/dbraw/zinc/20/97/52/282209752.db2.gz FPPAOMUBSADGQR-GOSISDBHSA-N 2 1 311.429 2.875 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000459355387 299086893 /nfs/dbraw/zinc/08/68/93/299086893.db2.gz BXDBCAQTQBOPRR-MRXNPFEDSA-N 2 1 304.482 2.929 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)[C@@H]1SC ZINC000459359529 299087820 /nfs/dbraw/zinc/08/78/20/299087820.db2.gz CEKLXXRRXASWOE-JONQDZQNSA-N 2 1 300.512 2.605 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000093451394 282248799 /nfs/dbraw/zinc/24/87/99/282248799.db2.gz DXDKLNYCPGOAIY-QKPAOTATSA-N 2 1 307.507 2.861 20 0 DFADMP Oc1cccnc1C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000584687439 398396935 /nfs/dbraw/zinc/39/69/35/398396935.db2.gz XRMMWXCEJIMYGH-INIZCTEOSA-N 2 1 303.450 2.875 20 0 DFADMP Oc1cccnc1C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000584687439 398396937 /nfs/dbraw/zinc/39/69/37/398396937.db2.gz XRMMWXCEJIMYGH-INIZCTEOSA-N 2 1 303.450 2.875 20 0 DFADMP CCn1c2ccccc2nc1CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000584735648 398405558 /nfs/dbraw/zinc/40/55/58/398405558.db2.gz CFDPJFYLTOXTIT-LJQANCHMSA-N 2 1 312.461 2.974 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433600 398425112 /nfs/dbraw/zinc/42/51/12/398425112.db2.gz LIQAUTJDVSTCGJ-LSDHHAIUSA-N 2 1 320.433 2.586 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000262608838 398432486 /nfs/dbraw/zinc/43/24/86/398432486.db2.gz UIVPSVKIPWFKQB-IRXDYDNUSA-N 2 1 305.466 2.511 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)CC[C@@H]1[NH3+] ZINC000592489442 398432499 /nfs/dbraw/zinc/43/24/99/398432499.db2.gz VUGWWOJKGQKCIW-ZFWWWQNUSA-N 2 1 316.401 2.779 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492191 398433369 /nfs/dbraw/zinc/43/33/69/398433369.db2.gz VMLTUYYFYROJDJ-LZWOXQAQSA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492191 398433372 /nfs/dbraw/zinc/43/33/72/398433372.db2.gz VMLTUYYFYROJDJ-LZWOXQAQSA-N 2 1 322.474 2.674 20 0 DFADMP c1cc(N2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000089215674 398444046 /nfs/dbraw/zinc/44/40/46/398444046.db2.gz CIFIIIGWDDLLCC-IEBWSBKVSA-N 3 1 314.477 2.514 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000089214399 398444073 /nfs/dbraw/zinc/44/40/73/398444073.db2.gz HBZHDHXQIUIXAX-SFHVURJKSA-N 2 1 306.425 2.904 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000089214396 398444108 /nfs/dbraw/zinc/44/41/08/398444108.db2.gz HBZHDHXQIUIXAX-GOSISDBHSA-N 2 1 306.425 2.904 20 0 DFADMP CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000585817138 398449967 /nfs/dbraw/zinc/44/99/67/398449967.db2.gz PVXJCSVSUYFBMX-KZNAEPCWSA-N 2 1 322.518 2.743 20 0 DFADMP CCS[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000585817138 398449971 /nfs/dbraw/zinc/44/99/71/398449971.db2.gz PVXJCSVSUYFBMX-KZNAEPCWSA-N 2 1 322.518 2.743 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459455702 299110887 /nfs/dbraw/zinc/11/08/87/299110887.db2.gz DEGIYJJULJTGML-RLLQIKCJSA-N 2 1 313.489 2.820 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H]1SC ZINC000459453757 299110756 /nfs/dbraw/zinc/11/07/56/299110756.db2.gz SZUNEJAOPDICQT-TWMKSMIVSA-N 2 1 314.539 2.853 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036715 530065286 /nfs/dbraw/zinc/06/52/86/530065286.db2.gz RYFSKVWGZHELSX-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036715 530065287 /nfs/dbraw/zinc/06/52/87/530065287.db2.gz RYFSKVWGZHELSX-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036715 530065288 /nfs/dbraw/zinc/06/52/88/530065288.db2.gz RYFSKVWGZHELSX-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090060391 398476996 /nfs/dbraw/zinc/47/69/96/398476996.db2.gz AGINILBBJFPZSS-HZPDHXFCSA-N 2 1 304.434 2.681 20 0 DFADMP OC1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000090799865 398492699 /nfs/dbraw/zinc/49/26/99/398492699.db2.gz RGFRYGHKWKTPDN-UHFFFAOYSA-N 2 1 320.452 2.726 20 0 DFADMP C[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090939298 398496411 /nfs/dbraw/zinc/49/64/11/398496411.db2.gz TYLAIXXZCFHGJH-KDOFPFPSSA-N 2 1 306.425 2.600 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272704212 210108351 /nfs/dbraw/zinc/10/83/51/210108351.db2.gz ZSFIHSUQQRSDTA-PBWTXFEYSA-N 2 1 304.478 2.894 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC4)[C@@H]3C2)cc1 ZINC000272681716 210086247 /nfs/dbraw/zinc/08/62/47/210086247.db2.gz NDUJZMLWGAPHQJ-WCIQWLHISA-N 2 1 314.473 2.913 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1OCCc2sccc21 ZINC000459556729 299133124 /nfs/dbraw/zinc/13/31/24/299133124.db2.gz KGJOYWLHSXBUNM-SJKOYZFVSA-N 2 1 306.475 2.967 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1OCCc2sccc21 ZINC000459556728 299133463 /nfs/dbraw/zinc/13/34/63/299133463.db2.gz KGJOYWLHSXBUNM-SJCJKPOMSA-N 2 1 306.475 2.967 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000272662356 210067005 /nfs/dbraw/zinc/06/70/05/210067005.db2.gz IGYKJEJUIXMDDT-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000272662356 210067008 /nfs/dbraw/zinc/06/70/08/210067008.db2.gz IGYKJEJUIXMDDT-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000272662356 210067012 /nfs/dbraw/zinc/06/70/12/210067012.db2.gz IGYKJEJUIXMDDT-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000091334567 398525982 /nfs/dbraw/zinc/52/59/82/398525982.db2.gz GXLJVIMJDPVODD-GJZGRUSLSA-N 2 1 318.383 2.915 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)cn1 ZINC000414058212 295762068 /nfs/dbraw/zinc/76/20/68/295762068.db2.gz TVNBJMFHZXQERF-HNNXBMFYSA-N 2 1 305.466 2.875 20 0 DFADMP Cc1nccn1CCC[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593049518 398530633 /nfs/dbraw/zinc/53/06/33/398530633.db2.gz SYQGDCUJYRWZIT-UKRRQHHQSA-N 2 1 307.438 2.776 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1[C@H](C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000593049518 398530640 /nfs/dbraw/zinc/53/06/40/398530640.db2.gz SYQGDCUJYRWZIT-UKRRQHHQSA-N 2 1 307.438 2.776 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000459585276 299141621 /nfs/dbraw/zinc/14/16/21/299141621.db2.gz JVWBDDBYYAZUDJ-CENDIDJXSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272620912 210020474 /nfs/dbraw/zinc/02/04/74/210020474.db2.gz YGCPONLMJIQDKU-XFUTXVRSSA-N 2 1 300.446 2.664 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000272613668 210015218 /nfs/dbraw/zinc/01/52/18/210015218.db2.gz WVXUBUPGNUDSHS-SLFFLAALSA-N 2 1 324.472 2.903 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272581191 210001296 /nfs/dbraw/zinc/00/12/96/210001296.db2.gz QOXDGPQYVLYHDI-BTHPGYMESA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272581191 210001299 /nfs/dbraw/zinc/00/12/99/210001299.db2.gz QOXDGPQYVLYHDI-BTHPGYMESA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272581191 210001305 /nfs/dbraw/zinc/00/13/05/210001305.db2.gz QOXDGPQYVLYHDI-BTHPGYMESA-N 3 1 315.505 2.827 20 0 DFADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1cccc(F)c1 ZINC000321315802 398552442 /nfs/dbraw/zinc/55/24/42/398552442.db2.gz DUXUMIMKJZLWNR-SJORKVTESA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1)Nc1cccc(F)c1 ZINC000321315802 398552447 /nfs/dbraw/zinc/55/24/47/398552447.db2.gz DUXUMIMKJZLWNR-SJORKVTESA-N 2 1 319.424 2.761 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043091 398554629 /nfs/dbraw/zinc/55/46/29/398554629.db2.gz RTLNTEFTTGSABZ-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043091 398554631 /nfs/dbraw/zinc/55/46/31/398554631.db2.gz RTLNTEFTTGSABZ-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CC[C@@H]21 ZINC000092043091 398554634 /nfs/dbraw/zinc/55/46/34/398554634.db2.gz RTLNTEFTTGSABZ-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1F ZINC000323703449 398560302 /nfs/dbraw/zinc/56/03/02/398560302.db2.gz LGJWESWIKPOQPS-GOOCMWNKSA-N 2 1 320.408 2.717 20 0 DFADMP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000414341728 295789619 /nfs/dbraw/zinc/78/96/19/295789619.db2.gz LMXLQVPUMPDEDT-ZOBUZTSGSA-N 2 1 309.498 2.532 20 0 DFADMP COC(=O)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000597133379 398573561 /nfs/dbraw/zinc/57/35/61/398573561.db2.gz SSWZJALHRJOLJA-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000597133379 398573563 /nfs/dbraw/zinc/57/35/63/398573563.db2.gz SSWZJALHRJOLJA-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000597133379 398573565 /nfs/dbraw/zinc/57/35/65/398573565.db2.gz SSWZJALHRJOLJA-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000597133379 398573568 /nfs/dbraw/zinc/57/35/68/398573568.db2.gz SSWZJALHRJOLJA-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000597133379 398573570 /nfs/dbraw/zinc/57/35/70/398573570.db2.gz SSWZJALHRJOLJA-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cnc3n2CCC3)C[C@H]1C(=O)OC(C)(C)C ZINC000597154001 398576978 /nfs/dbraw/zinc/57/69/78/398576978.db2.gz KQFGUPYFZNKINO-DZGCQCFKSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@H]1CCN(Cc2cnc3n2CCC3)C[C@H]1C(=O)OC(C)(C)C ZINC000597154001 398576980 /nfs/dbraw/zinc/57/69/80/398576980.db2.gz KQFGUPYFZNKINO-DZGCQCFKSA-N 2 1 319.449 2.629 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cn(C)cn2)cc1 ZINC000459659464 299158128 /nfs/dbraw/zinc/15/81/28/299158128.db2.gz KCEXEOYXOPBHPH-CQSZACIVSA-N 2 1 309.417 2.808 20 0 DFADMP CCC1(C)CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000590126532 398599274 /nfs/dbraw/zinc/59/92/74/398599274.db2.gz MNADDPVAEDPCOW-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC1(C)CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000590126532 398599277 /nfs/dbraw/zinc/59/92/77/398599277.db2.gz MNADDPVAEDPCOW-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000590184352 398604087 /nfs/dbraw/zinc/60/40/87/398604087.db2.gz IXKZQVISAOOGHK-ARFHVFGLSA-N 2 1 319.449 2.690 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000280006180 215306194 /nfs/dbraw/zinc/30/61/94/215306194.db2.gz TZOZXWUEQYNPFL-MRXNPFEDSA-N 2 1 321.428 2.729 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000152408166 186069310 /nfs/dbraw/zinc/06/93/10/186069310.db2.gz DSQWRCJCJANGPJ-HZPDHXFCSA-N 2 1 318.461 2.847 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000072799496 398638162 /nfs/dbraw/zinc/63/81/62/398638162.db2.gz INQMIPOXKWMUKR-UHFFFAOYSA-N 2 1 320.481 2.777 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000194288864 186277640 /nfs/dbraw/zinc/27/76/40/186277640.db2.gz QJIAREGJZAISDP-SFHVURJKSA-N 2 1 310.445 2.638 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000194288864 186277642 /nfs/dbraw/zinc/27/76/42/186277642.db2.gz QJIAREGJZAISDP-SFHVURJKSA-N 2 1 310.445 2.638 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CCC=CO3)c2)CCO1 ZINC000194269582 186275073 /nfs/dbraw/zinc/27/50/73/186275073.db2.gz LZQWLTAMQIENHE-APWZRJJASA-N 2 1 316.445 2.690 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CCC=CO3)c2)CCO1 ZINC000194269582 186275075 /nfs/dbraw/zinc/27/50/75/186275075.db2.gz LZQWLTAMQIENHE-APWZRJJASA-N 2 1 316.445 2.690 20 0 DFADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(OC)c1OC ZINC000459724442 299172907 /nfs/dbraw/zinc/17/29/07/299172907.db2.gz DQXUEWMVTUDZSA-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000266846591 186357231 /nfs/dbraw/zinc/35/72/31/186357231.db2.gz IBOXWQXAIFIBSA-ZDUSSCGKSA-N 2 1 303.406 2.950 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739289 186373664 /nfs/dbraw/zinc/37/36/64/186373664.db2.gz CQVKKUVMAMTAAL-LPHOPBHVSA-N 2 1 312.461 2.751 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414830543 295823217 /nfs/dbraw/zinc/82/32/17/295823217.db2.gz ORNVBRFPXHGKLG-FUNVUKJBSA-N 2 1 312.360 2.669 20 0 DFADMP Fc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414828733 295822946 /nfs/dbraw/zinc/82/29/46/295822946.db2.gz MLFWUHHAIADAAM-SNVBAGLBSA-N 2 1 301.203 2.677 20 0 DFADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000593593638 398659285 /nfs/dbraw/zinc/65/92/85/398659285.db2.gz DYRQYOHJRYWDJO-GJZGRUSLSA-N 2 1 321.465 2.936 20 0 DFADMP COCCOc1ccccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459740534 299178731 /nfs/dbraw/zinc/17/87/31/299178731.db2.gz UONQOMGWXXBPQA-MRXNPFEDSA-N 2 1 306.450 2.533 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000459744036 299179711 /nfs/dbraw/zinc/17/97/11/299179711.db2.gz XPFQQAPOKPFJJC-DZGCQCFKSA-N 2 1 309.479 2.816 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856455 295826881 /nfs/dbraw/zinc/82/68/81/295826881.db2.gz AGZVYYCYNYUSOP-HNNXBMFYSA-N 2 1 301.409 2.921 20 0 DFADMP COc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1OC(C)C ZINC000414896497 295831643 /nfs/dbraw/zinc/83/16/43/295831643.db2.gz CEIJWRSNJYXUQM-GOSISDBHSA-N 2 1 306.450 2.962 20 0 DFADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000414904705 295832766 /nfs/dbraw/zinc/83/27/66/295832766.db2.gz KLVYPKSOCPSGNC-CZUORRHYSA-N 2 1 324.852 2.597 20 0 DFADMP FC(F)(F)COc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414915003 295834274 /nfs/dbraw/zinc/83/42/74/295834274.db2.gz LQXYHYUWZXKSDI-ZDUSSCGKSA-N 2 1 302.340 2.859 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000414929283 295836635 /nfs/dbraw/zinc/83/66/35/295836635.db2.gz RFXSSBUKLKNIJZ-VXGBXAGGSA-N 2 1 301.203 2.948 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414951588 295839532 /nfs/dbraw/zinc/83/95/32/295839532.db2.gz HOSHPEYJTZEPLP-KPZWWZAWSA-N 2 1 316.424 2.716 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000414950696 295839702 /nfs/dbraw/zinc/83/97/02/295839702.db2.gz GIDKLYSQPOATOH-YPMHNXCESA-N 2 1 302.340 2.715 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414954650 295840262 /nfs/dbraw/zinc/84/02/62/295840262.db2.gz SUWQSRCDAQEKDO-KDOFPFPSSA-N 2 1 311.429 2.987 20 0 DFADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977632 295843509 /nfs/dbraw/zinc/84/35/09/295843509.db2.gz QOCONQFYYXPOEU-ZWKOTPCHSA-N 2 1 323.912 2.790 20 0 DFADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414996739 295845238 /nfs/dbraw/zinc/84/52/38/295845238.db2.gz GUSMVTLYVIFUIY-JSGCOSHPSA-N 2 1 300.368 2.981 20 0 DFADMP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)s1 ZINC000415010096 295847032 /nfs/dbraw/zinc/84/70/32/295847032.db2.gz XZRHBKNPBHAHAA-SNVBAGLBSA-N 2 1 303.422 2.775 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459784644 299192084 /nfs/dbraw/zinc/19/20/84/299192084.db2.gz ODBBGIIDJQUVCN-HOTGVXAUSA-N 2 1 320.477 2.956 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000415025153 295848426 /nfs/dbraw/zinc/84/84/26/295848426.db2.gz QLDATLGRHKHWSA-OAHLLOKOSA-N 3 1 307.457 2.550 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415042725 295850590 /nfs/dbraw/zinc/85/05/90/295850590.db2.gz VHZVUPBNSCEHLN-XPKDYRNWSA-N 2 1 303.450 2.991 20 0 DFADMP CCCCCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415045729 295850790 /nfs/dbraw/zinc/85/07/90/295850790.db2.gz UFBMJFPXGDMWQT-GOSISDBHSA-N 2 1 306.450 2.724 20 0 DFADMP COc1ccc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000072979051 191262820 /nfs/dbraw/zinc/26/28/20/191262820.db2.gz QAVBSEDSTXVLNR-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000072979051 191262823 /nfs/dbraw/zinc/26/28/23/191262823.db2.gz QAVBSEDSTXVLNR-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000072979051 191262826 /nfs/dbraw/zinc/26/28/26/191262826.db2.gz QAVBSEDSTXVLNR-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000072979051 191262830 /nfs/dbraw/zinc/26/28/30/191262830.db2.gz QAVBSEDSTXVLNR-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415071541 295854425 /nfs/dbraw/zinc/85/44/25/295854425.db2.gz WMCQFOFJRRLADE-XJKSGUPXSA-N 2 1 306.450 2.742 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)Cc2ccccc2)CC1 ZINC000182053195 199380531 /nfs/dbraw/zinc/38/05/31/199380531.db2.gz RSGSDLDTKZOUOV-LJQANCHMSA-N 2 1 317.521 2.873 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc(C(C)(C)C)s2)CC1 ZINC000105476094 398692706 /nfs/dbraw/zinc/69/27/06/398692706.db2.gz DDHUZERCPSTUAY-UHFFFAOYSA-N 2 1 324.538 2.558 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174218879 198306901 /nfs/dbraw/zinc/30/69/01/198306901.db2.gz KIQGCXLYLRRNAZ-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CC(C)OC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000174395796 198329363 /nfs/dbraw/zinc/32/93/63/198329363.db2.gz DKJMJPFCMYMLKM-GOSISDBHSA-N 2 1 318.461 2.782 20 0 DFADMP CC(C)OC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000174395796 198329364 /nfs/dbraw/zinc/32/93/64/198329364.db2.gz DKJMJPFCMYMLKM-GOSISDBHSA-N 2 1 318.461 2.782 20 0 DFADMP CC(C)OC(=O)CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174395796 198329366 /nfs/dbraw/zinc/32/93/66/198329366.db2.gz DKJMJPFCMYMLKM-GOSISDBHSA-N 2 1 318.461 2.782 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000174775036 198383634 /nfs/dbraw/zinc/38/36/34/198383634.db2.gz NWKXCALNYZPIGD-WBVHZDCISA-N 2 1 303.450 2.677 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000182246044 199409513 /nfs/dbraw/zinc/40/95/13/199409513.db2.gz WEASBDXMLQFBPW-IBGZPJMESA-N 2 1 314.473 2.922 20 0 DFADMP COC1(C[NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000277052891 213265170 /nfs/dbraw/zinc/26/51/70/213265170.db2.gz QPKKNZKCDIGZID-QGZVFWFLSA-N 2 1 320.477 2.682 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C)c2ccccc2F)[C@H](C)C1 ZINC000129093561 283001863 /nfs/dbraw/zinc/00/18/63/283001863.db2.gz RDRDMIHIZAHOAB-WBVHZDCISA-N 2 1 307.457 2.972 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000594014376 398721797 /nfs/dbraw/zinc/72/17/97/398721797.db2.gz CJOXGFLXGLOELF-HNNXBMFYSA-N 2 1 321.465 2.939 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@H]1CC(=O)OC(C)(C)C ZINC000594014376 398721800 /nfs/dbraw/zinc/72/18/00/398721800.db2.gz CJOXGFLXGLOELF-HNNXBMFYSA-N 2 1 321.465 2.939 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236789497 202009971 /nfs/dbraw/zinc/00/99/71/202009971.db2.gz YLYLABWWYKGKJT-JQHSSLGASA-N 2 1 317.477 2.625 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236795688 202014253 /nfs/dbraw/zinc/01/42/53/202014253.db2.gz CAINUYZNYVHDNX-YOEHRIQHSA-N 2 1 303.450 2.983 20 0 DFADMP Cc1nccn1CCCC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000129259668 283008049 /nfs/dbraw/zinc/00/80/49/283008049.db2.gz DHMHXUIEWUURSW-OAHLLOKOSA-N 2 1 314.433 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](CC(N)=O)[C@H](C)c1ccccc1 ZINC000129259668 283008054 /nfs/dbraw/zinc/00/80/54/283008054.db2.gz DHMHXUIEWUURSW-OAHLLOKOSA-N 2 1 314.433 2.520 20 0 DFADMP Cc1cccc2c(N[C@H](C)[C@@H](C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000462484131 299225872 /nfs/dbraw/zinc/22/58/72/299225872.db2.gz ISRDZCKFXZETHO-HZPDHXFCSA-N 2 1 313.445 2.795 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353640727 283139149 /nfs/dbraw/zinc/13/91/49/283139149.db2.gz HNMKIXIMOPIHJM-OBKDMQGPSA-N 2 1 314.473 2.615 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000359775986 283177989 /nfs/dbraw/zinc/17/79/89/283177989.db2.gz VBOGLYXWGBWENK-IAGOWNOFSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000359775986 283177995 /nfs/dbraw/zinc/17/79/95/283177995.db2.gz VBOGLYXWGBWENK-IAGOWNOFSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000359775986 283177999 /nfs/dbraw/zinc/17/79/99/283177999.db2.gz VBOGLYXWGBWENK-IAGOWNOFSA-N 2 1 319.493 2.744 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000236886353 202053443 /nfs/dbraw/zinc/05/34/43/202053443.db2.gz XTOFWKCEMZTOOX-ZWKOTPCHSA-N 2 1 317.477 2.703 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237052881 202136301 /nfs/dbraw/zinc/13/63/01/202136301.db2.gz XOLCDUSFGPCIQI-INIZCTEOSA-N 2 1 323.525 2.783 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154523308 283209499 /nfs/dbraw/zinc/20/94/99/283209499.db2.gz DXIQMVGUBCOIRZ-MSOLQXFVSA-N 2 1 323.525 2.831 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000591835638 398793984 /nfs/dbraw/zinc/79/39/84/398793984.db2.gz YEEKFTZACFUCNS-RRFJBIMHSA-N 2 1 306.479 2.546 20 0 DFADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)C2(CCCCC2)C1 ZINC000237192786 202182757 /nfs/dbraw/zinc/18/27/57/202182757.db2.gz XSIBCRCDYSORFI-QGZVFWFLSA-N 2 1 315.461 2.553 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000178410770 198862511 /nfs/dbraw/zinc/86/25/11/198862511.db2.gz YZHUGKKNUDCABR-BTYIYWSLSA-N 2 1 308.491 2.951 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000591886144 398803116 /nfs/dbraw/zinc/80/31/16/398803116.db2.gz NSVGXLZDNTWLAM-UHFFFAOYSA-N 2 1 303.233 2.540 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCSCCCO)cc1 ZINC000151214002 283278588 /nfs/dbraw/zinc/27/85/88/283278588.db2.gz CATABAKKZGIFGG-CQSZACIVSA-N 2 1 319.474 2.947 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322695 283281472 /nfs/dbraw/zinc/28/14/72/283281472.db2.gz SWAPUSNEEBBGRG-VQIMIIECSA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493389 398808754 /nfs/dbraw/zinc/80/87/54/398808754.db2.gz HLUNJUORJDLXLX-KSSFIOAISA-N 2 1 316.445 2.782 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000594494467 398808772 /nfs/dbraw/zinc/80/87/72/398808772.db2.gz GOAUKYYGCARXBA-KBXCAEBGSA-N 2 1 316.445 2.782 20 0 DFADMP CS[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000594499183 398810100 /nfs/dbraw/zinc/81/01/00/398810100.db2.gz DUHWQXXFMDETDY-GJZGRUSLSA-N 2 1 300.512 2.607 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000179308322 199013206 /nfs/dbraw/zinc/01/32/06/199013206.db2.gz RZZOLKASMPHKIB-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(C)ccc1C ZINC000179308322 199013208 /nfs/dbraw/zinc/01/32/08/199013208.db2.gz RZZOLKASMPHKIB-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000151662447 283291604 /nfs/dbraw/zinc/29/16/04/283291604.db2.gz PPTSKYDESGRKPV-SQNIBIBYSA-N 2 1 323.525 2.686 20 0 DFADMP CSCCCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594500410 398810791 /nfs/dbraw/zinc/81/07/91/398810791.db2.gz LYZIURBUNUWFMK-INIZCTEOSA-N 2 1 300.512 2.753 20 0 DFADMP CC(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C(=O)OC(C)(C)C ZINC000594511130 398813354 /nfs/dbraw/zinc/81/33/54/398813354.db2.gz BTLKDTKFXIJHNG-INIZCTEOSA-N 2 1 310.482 2.817 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)[C@@H]1C ZINC000353929460 291121431 /nfs/dbraw/zinc/12/14/31/291121431.db2.gz MMDOHOJBKCWQSD-QZWWFDLISA-N 2 1 310.482 2.674 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C)OCCO2)cc1 ZINC000179569760 199057162 /nfs/dbraw/zinc/05/71/62/199057162.db2.gz DXWXMHAWIYXKOF-CYBMUJFWSA-N 2 1 301.390 2.594 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000179638053 199068383 /nfs/dbraw/zinc/06/83/83/199068383.db2.gz QZOJFITXNMVRKO-MRXNPFEDSA-N 2 1 312.417 2.652 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000179638053 199068384 /nfs/dbraw/zinc/06/83/84/199068384.db2.gz QZOJFITXNMVRKO-MRXNPFEDSA-N 2 1 312.417 2.652 20 0 DFADMP Cc1cccn2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)nc12 ZINC000051907735 398826878 /nfs/dbraw/zinc/82/68/78/398826878.db2.gz JCCKRRQESDAEEQ-UHFFFAOYSA-N 2 1 312.461 2.951 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)o1 ZINC000594606608 398830303 /nfs/dbraw/zinc/83/03/03/398830303.db2.gz JNIHSJNJDBWGJO-OAHLLOKOSA-N 2 1 320.433 2.538 20 0 DFADMP Cc1cccc(CCC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000181097025 199251402 /nfs/dbraw/zinc/25/14/02/199251402.db2.gz YFTVCPKBZBHEQC-GOSISDBHSA-N 2 1 318.505 2.952 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000187168204 200070781 /nfs/dbraw/zinc/07/07/81/200070781.db2.gz ILBLSQMJDZXEKT-FQEVSTJZSA-N 2 1 317.521 2.871 20 0 DFADMP COC(=O)CC1CCC([NH2+]CC[N@H+](C)C2CCCCC2)CC1 ZINC000599024404 398909654 /nfs/dbraw/zinc/90/96/54/398909654.db2.gz PFAUAWNYHICSAK-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP COC(=O)CC1CCC([NH2+]CC[N@@H+](C)C2CCCCC2)CC1 ZINC000599024404 398909657 /nfs/dbraw/zinc/90/96/57/398909657.db2.gz PFAUAWNYHICSAK-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP Cc1nccnc1[C@H](C)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000187789367 200156684 /nfs/dbraw/zinc/15/66/84/200156684.db2.gz OYXHVRJDBSLKMA-HNNXBMFYSA-N 2 1 314.433 2.576 20 0 DFADMP CSC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000187808973 200160136 /nfs/dbraw/zinc/16/01/36/200160136.db2.gz HWFLDISAGBYWOK-SFHVURJKSA-N 2 1 322.518 2.554 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000599054387 398914004 /nfs/dbraw/zinc/91/40/04/398914004.db2.gz KKCVMRZJQCAJIH-IIIMJFFVSA-N 2 1 322.493 2.820 20 0 DFADMP CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188109777 200195216 /nfs/dbraw/zinc/19/52/16/200195216.db2.gz NMUYFVYVFBWATI-XGXHKWSGSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cnn(Cc2ccccc2)c1 ZINC000471784176 299304129 /nfs/dbraw/zinc/30/41/29/299304129.db2.gz ZODGVDDTHMBZGS-OAHLLOKOSA-N 2 1 309.417 2.558 20 0 DFADMP CCN(C)C(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000189404348 200395359 /nfs/dbraw/zinc/39/53/59/200395359.db2.gz WXOVPUDMFRYEBI-ZIAGYGMSSA-N 2 1 314.433 2.698 20 0 DFADMP C[C@H](NCC1([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417356344 296013343 /nfs/dbraw/zinc/01/33/43/296013343.db2.gz PFVPUVGQLAZYEE-WMZOPIPTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417356344 296013344 /nfs/dbraw/zinc/01/33/44/296013344.db2.gz PFVPUVGQLAZYEE-WMZOPIPTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417356344 296013346 /nfs/dbraw/zinc/01/33/46/296013346.db2.gz PFVPUVGQLAZYEE-WMZOPIPTSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287854375 219768551 /nfs/dbraw/zinc/76/85/51/219768551.db2.gz WZLLYVOKUWCTKM-AWEZNQCLSA-N 2 1 310.405 2.513 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000471848522 299309986 /nfs/dbraw/zinc/30/99/86/299309986.db2.gz QPKWFXSZSIQJHE-AABGKKOBSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000471848522 299309989 /nfs/dbraw/zinc/30/99/89/299309989.db2.gz QPKWFXSZSIQJHE-AABGKKOBSA-N 3 1 315.505 2.658 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417392169 296016245 /nfs/dbraw/zinc/01/62/45/296016245.db2.gz AZADCZJJKDAKDO-WAPOTWQKSA-N 2 1 314.473 2.790 20 0 DFADMP CCO[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000156103816 398949312 /nfs/dbraw/zinc/94/93/12/398949312.db2.gz LHFHNXKMGWIFEJ-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](OCC)C2)C1 ZINC000156103816 398949313 /nfs/dbraw/zinc/94/93/13/398949313.db2.gz LHFHNXKMGWIFEJ-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP CCO[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](OCC)C2)C1 ZINC000156103816 398949315 /nfs/dbraw/zinc/94/93/15/398949315.db2.gz LHFHNXKMGWIFEJ-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000078420914 398955279 /nfs/dbraw/zinc/95/52/79/398955279.db2.gz NVUJLODUABRIDG-LJQANCHMSA-N 2 1 301.478 2.725 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000078420914 398955286 /nfs/dbraw/zinc/95/52/86/398955286.db2.gz NVUJLODUABRIDG-LJQANCHMSA-N 2 1 301.478 2.725 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2OC(F)(F)F)CC1 ZINC000271896860 209304811 /nfs/dbraw/zinc/30/48/11/209304811.db2.gz PLYSREJBUNWJQN-UHFFFAOYSA-N 2 1 300.324 2.937 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)n1 ZINC000292837656 223267868 /nfs/dbraw/zinc/26/78/68/223267868.db2.gz RVODFLGPKZZEJN-LJQANCHMSA-N 2 1 310.445 2.615 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccccc2)n1 ZINC000292837656 223267869 /nfs/dbraw/zinc/26/78/69/223267869.db2.gz RVODFLGPKZZEJN-LJQANCHMSA-N 2 1 310.445 2.615 20 0 DFADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2ccccc2)n1 ZINC000292837656 223267870 /nfs/dbraw/zinc/26/78/70/223267870.db2.gz RVODFLGPKZZEJN-LJQANCHMSA-N 2 1 310.445 2.615 20 0 DFADMP Cn1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2ccccc2)n1 ZINC000292837656 223267871 /nfs/dbraw/zinc/26/78/71/223267871.db2.gz RVODFLGPKZZEJN-LJQANCHMSA-N 2 1 310.445 2.615 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000193295722 201022622 /nfs/dbraw/zinc/02/26/22/201022622.db2.gz OWICAWGOLMGCQE-JKSUJKDBSA-N 2 1 317.477 2.662 20 0 DFADMP COC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150593 398973306 /nfs/dbraw/zinc/97/33/06/398973306.db2.gz FDHDPVPMYQHFLL-VQIMIIECSA-N 2 1 318.461 2.580 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1)C(C)C ZINC000193617078 201087238 /nfs/dbraw/zinc/08/72/38/201087238.db2.gz DSNTYSMVLCXIIF-CRAIPNDOSA-N 2 1 317.477 2.787 20 0 DFADMP Fc1cncc([C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000281471180 216322774 /nfs/dbraw/zinc/32/27/74/216322774.db2.gz FGRHKSJNNFPXSP-SJKOYZFVSA-N 2 1 300.381 2.721 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)c(Cl)c3)C2)CC1 ZINC000193886944 201139450 /nfs/dbraw/zinc/13/94/50/201139450.db2.gz MFTHFVJVIDFQKS-KRWDZBQOSA-N 2 1 321.896 2.860 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000271865930 209278445 /nfs/dbraw/zinc/27/84/45/209278445.db2.gz LLEQZWALNBWPFF-FXAWDEMLSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271865930 209278449 /nfs/dbraw/zinc/27/84/49/209278449.db2.gz LLEQZWALNBWPFF-FXAWDEMLSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271865930 209278451 /nfs/dbraw/zinc/27/84/51/209278451.db2.gz LLEQZWALNBWPFF-FXAWDEMLSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271865930 209278454 /nfs/dbraw/zinc/27/84/54/209278454.db2.gz LLEQZWALNBWPFF-FXAWDEMLSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271865930 209278455 /nfs/dbraw/zinc/27/84/55/209278455.db2.gz LLEQZWALNBWPFF-FXAWDEMLSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000194421532 201224382 /nfs/dbraw/zinc/22/43/82/201224382.db2.gz DYZYYQZHJKBXEP-QGZVFWFLSA-N 2 1 303.494 2.653 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599496055 398994664 /nfs/dbraw/zinc/99/46/64/398994664.db2.gz SHOHTGLVJQXUNV-KRWDZBQOSA-N 2 1 307.438 2.778 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]1(C)C(=O)OC(C)(C)C ZINC000599496055 398994666 /nfs/dbraw/zinc/99/46/66/398994666.db2.gz SHOHTGLVJQXUNV-KRWDZBQOSA-N 2 1 307.438 2.778 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417808249 296053291 /nfs/dbraw/zinc/05/32/91/296053291.db2.gz JLDQSWHGNBFHHS-MRXNPFEDSA-N 2 1 317.477 2.552 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417808249 296053292 /nfs/dbraw/zinc/05/32/92/296053292.db2.gz JLDQSWHGNBFHHS-MRXNPFEDSA-N 2 1 317.477 2.552 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417808249 296053294 /nfs/dbraw/zinc/05/32/94/296053294.db2.gz JLDQSWHGNBFHHS-MRXNPFEDSA-N 2 1 317.477 2.552 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417808249 296053295 /nfs/dbraw/zinc/05/32/95/296053295.db2.gz JLDQSWHGNBFHHS-MRXNPFEDSA-N 2 1 317.477 2.552 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2COC(C)(C)C2)cc1F ZINC000417874791 296059965 /nfs/dbraw/zinc/05/99/65/296059965.db2.gz NNKSCQJKKVLIAV-AWEZNQCLSA-N 2 1 303.381 2.977 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621659623 399012553 /nfs/dbraw/zinc/01/25/53/399012553.db2.gz NWVABMFTNVCVAD-XWTMOSNGSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CN1Cc1ccccc1 ZINC000275416298 212319498 /nfs/dbraw/zinc/31/94/98/212319498.db2.gz DJNJJYNMUVPROO-QRQLOZEOSA-N 2 1 324.472 2.698 20 0 DFADMP CCOC(=O)[C@H](CC)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599661392 399050780 /nfs/dbraw/zinc/05/07/80/399050780.db2.gz VDPGSKNZNPOGNJ-KRWDZBQOSA-N 2 1 306.450 2.912 20 0 DFADMP CCOC(=O)[C@H](CC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599661392 399050782 /nfs/dbraw/zinc/05/07/82/399050782.db2.gz VDPGSKNZNPOGNJ-KRWDZBQOSA-N 2 1 306.450 2.912 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)on1 ZINC000275287486 212249655 /nfs/dbraw/zinc/24/96/55/212249655.db2.gz LGWIAFKPOJAIOI-AWEZNQCLSA-N 2 1 300.406 2.814 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)on1 ZINC000275287486 212249657 /nfs/dbraw/zinc/24/96/57/212249657.db2.gz LGWIAFKPOJAIOI-AWEZNQCLSA-N 2 1 300.406 2.814 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2C)c1 ZINC000606369340 399059378 /nfs/dbraw/zinc/05/93/78/399059378.db2.gz MRWAYZMJXZVUDK-GOSISDBHSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000606369340 399059381 /nfs/dbraw/zinc/05/93/81/399059381.db2.gz MRWAYZMJXZVUDK-GOSISDBHSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000606369340 399059387 /nfs/dbraw/zinc/05/93/87/399059387.db2.gz MRWAYZMJXZVUDK-GOSISDBHSA-N 2 1 317.477 2.627 20 0 DFADMP COC(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@H]2CCCC[C@@H]12 ZINC000595735284 399063401 /nfs/dbraw/zinc/06/34/01/399063401.db2.gz WLHQBRBLOBALFC-BBWFWOEESA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@H]2CCCC[C@@H]12 ZINC000595735284 399063402 /nfs/dbraw/zinc/06/34/02/399063402.db2.gz WLHQBRBLOBALFC-BBWFWOEESA-N 2 1 319.449 2.635 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000479450319 299377585 /nfs/dbraw/zinc/37/75/85/299377585.db2.gz UFEGDQFNWNZPSA-QGZVFWFLSA-N 2 1 303.450 2.951 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)CC1 ZINC000337508674 284076876 /nfs/dbraw/zinc/07/68/76/284076876.db2.gz HJWUXYFUTTVXNX-IBGZPJMESA-N 2 1 313.489 2.856 20 0 DFADMP CC[NH+](CC)CCCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000338273344 284098117 /nfs/dbraw/zinc/09/81/17/284098117.db2.gz AEVWOZMMVJFKDT-UHFFFAOYSA-N 2 1 307.457 2.675 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419327190 296134587 /nfs/dbraw/zinc/13/45/87/296134587.db2.gz NIPIJINDBXUYAG-DLBZAZTESA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccccc1Br ZINC000481722828 299399130 /nfs/dbraw/zinc/39/91/30/299399130.db2.gz ZAZQSZFTKYLTMP-WFASDCNBSA-N 2 1 311.267 2.921 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089083 193202130 /nfs/dbraw/zinc/20/21/30/193202130.db2.gz LZBBCJHCWGAATD-UHFFFAOYSA-N 2 1 306.450 2.786 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)CC3CC[NH+](C)CC3)c1)O[C@H](C)C2 ZINC000093088642 193202334 /nfs/dbraw/zinc/20/23/34/193202334.db2.gz UWJAGERZWWKOBQ-CQSZACIVSA-N 2 1 318.461 2.792 20 0 DFADMP C[C@H](C[NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262398248 203283322 /nfs/dbraw/zinc/28/33/22/203283322.db2.gz PCVCFKDKYPQGFZ-OAHLLOKOSA-N 2 1 317.477 2.662 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000340194242 284157446 /nfs/dbraw/zinc/15/74/46/284157446.db2.gz HPODPHLBURSQNY-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262631272 203358668 /nfs/dbraw/zinc/35/86/68/203358668.db2.gz HEMJCHOYSNNTFG-SJLPKXTDSA-N 2 1 317.477 2.623 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000262647007 203363141 /nfs/dbraw/zinc/36/31/41/203363141.db2.gz KGHCUOHUSQLLFM-SJLPKXTDSA-N 2 1 317.477 2.766 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000093400398 193244715 /nfs/dbraw/zinc/24/47/15/193244715.db2.gz RMXOJGCYTVLYJH-GOEBONIOSA-N 2 1 315.465 2.729 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000093400398 193244716 /nfs/dbraw/zinc/24/47/16/193244716.db2.gz RMXOJGCYTVLYJH-GOEBONIOSA-N 2 1 315.465 2.729 20 0 DFADMP COCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093643917 193280187 /nfs/dbraw/zinc/28/01/87/193280187.db2.gz JCFVAKGYGXWGHB-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093643917 193280190 /nfs/dbraw/zinc/28/01/90/193280190.db2.gz JCFVAKGYGXWGHB-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093643917 193280192 /nfs/dbraw/zinc/28/01/92/193280192.db2.gz JCFVAKGYGXWGHB-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093643917 193280194 /nfs/dbraw/zinc/28/01/94/193280194.db2.gz JCFVAKGYGXWGHB-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000093638797 193277882 /nfs/dbraw/zinc/27/78/82/193277882.db2.gz SUNYHVCGZXGDOM-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000093638797 193277883 /nfs/dbraw/zinc/27/78/83/193277883.db2.gz SUNYHVCGZXGDOM-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000093638797 193277885 /nfs/dbraw/zinc/27/78/85/193277885.db2.gz SUNYHVCGZXGDOM-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)[C@H](C)C1 ZINC000093639534 193278174 /nfs/dbraw/zinc/27/81/74/193278174.db2.gz LJWGWSDZTIIHJT-RHSMWYFYSA-N 2 1 313.449 2.634 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)[C@H](C)C1 ZINC000093639534 193278176 /nfs/dbraw/zinc/27/81/76/193278176.db2.gz LJWGWSDZTIIHJT-RHSMWYFYSA-N 2 1 313.449 2.634 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)[C@H](C)C1 ZINC000093639534 193278177 /nfs/dbraw/zinc/27/81/77/193278177.db2.gz LJWGWSDZTIIHJT-RHSMWYFYSA-N 2 1 313.449 2.634 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2NC(C)=O)[C@H](C)C1 ZINC000093639606 193279038 /nfs/dbraw/zinc/27/90/38/193279038.db2.gz OYUDPFXJGMTXPX-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2NC(C)=O)[C@H](C)C1 ZINC000093639606 193279040 /nfs/dbraw/zinc/27/90/40/193279040.db2.gz OYUDPFXJGMTXPX-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2NC(C)=O)[C@H](C)C1 ZINC000093639606 193279042 /nfs/dbraw/zinc/27/90/42/193279042.db2.gz OYUDPFXJGMTXPX-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2NC(C)=O)[C@H](C)C1 ZINC000093639606 193279044 /nfs/dbraw/zinc/27/90/44/193279044.db2.gz OYUDPFXJGMTXPX-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)CC(C)(C)C[NH3+] ZINC000093874053 193322395 /nfs/dbraw/zinc/32/23/95/193322395.db2.gz YKJWPDCBMBLSML-UHFFFAOYSA-N 2 1 308.451 2.647 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C[C@H]1c1ccccc1 ZINC000340398394 284180026 /nfs/dbraw/zinc/18/00/26/284180026.db2.gz ZTSGSQGXNXIJNC-GJYPPUQNSA-N 3 1 310.445 2.692 20 0 DFADMP [NH3+]CCN(CCc1ccccc1)c1cc[nH+]cc1Br ZINC000420241345 296164943 /nfs/dbraw/zinc/16/49/43/296164943.db2.gz MRSZBQLMHOWXSF-UHFFFAOYSA-N 2 1 320.234 2.852 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000484836316 299419478 /nfs/dbraw/zinc/41/94/78/299419478.db2.gz NWYZOKZCEOGOBZ-OWYHZJEWSA-N 2 1 302.462 2.927 20 0 DFADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000264574751 204004498 /nfs/dbraw/zinc/00/44/98/204004498.db2.gz XHNVMXAGDUTNQZ-QGZVFWFLSA-N 2 1 313.449 2.637 20 0 DFADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000264574751 204004502 /nfs/dbraw/zinc/00/45/02/204004502.db2.gz XHNVMXAGDUTNQZ-QGZVFWFLSA-N 2 1 313.449 2.637 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000420265931 296167139 /nfs/dbraw/zinc/16/71/39/296167139.db2.gz FNERFUIWUHFJPV-ZYHUDNBSSA-N 2 1 320.234 2.959 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420273956 296168112 /nfs/dbraw/zinc/16/81/12/296168112.db2.gz OAMVPPPMGHBECE-GDBMZVCRSA-N 2 1 319.449 2.616 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000420273956 296168114 /nfs/dbraw/zinc/16/81/14/296168114.db2.gz OAMVPPPMGHBECE-GDBMZVCRSA-N 2 1 319.449 2.616 20 0 DFADMP FC1(F)CNCC[C@H]1CNc1cc[nH+]c2ccc(Cl)cc12 ZINC000420285173 296169352 /nfs/dbraw/zinc/16/93/52/296169352.db2.gz OZIDVPWBJPDHHF-JTQLQIEISA-N 2 1 311.763 2.967 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)ccc2o1 ZINC000420297024 296170797 /nfs/dbraw/zinc/17/07/97/296170797.db2.gz YCPMFRGNESQNRX-JSGCOSHPSA-N 2 1 316.401 2.779 20 0 DFADMP Cc1cccc([C@H]2CCCCC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420296128 296171055 /nfs/dbraw/zinc/17/10/55/296171055.db2.gz DDERZMFEDCGNLI-LJQANCHMSA-N 2 1 301.478 2.817 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420301107 296171707 /nfs/dbraw/zinc/17/17/07/296171707.db2.gz LAWNFWLSFRTKOQ-SJLPKXTDSA-N 2 1 315.461 2.504 20 0 DFADMP C[C@@H](C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420302587 296171949 /nfs/dbraw/zinc/17/19/49/296171949.db2.gz MSBHYMTXLBCUEU-VDGAXYAQSA-N 2 1 312.457 2.653 20 0 DFADMP CC(C)[C@@H](CO)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420302972 296172024 /nfs/dbraw/zinc/17/20/24/296172024.db2.gz MVBLYMHYHJYWAA-PKOBYXMFSA-N 2 1 304.478 2.895 20 0 DFADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420304213 296172305 /nfs/dbraw/zinc/17/23/05/296172305.db2.gz LGMVKKCVIBTQKE-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420305388 296172532 /nfs/dbraw/zinc/17/25/32/296172532.db2.gz KBSPAJOZWQJTPG-CWRNSKLLSA-N 2 1 311.429 2.718 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420305388 296172534 /nfs/dbraw/zinc/17/25/34/296172534.db2.gz KBSPAJOZWQJTPG-CWRNSKLLSA-N 2 1 311.429 2.718 20 0 DFADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nccn1Cc1ccccc1 ZINC000420308675 296173044 /nfs/dbraw/zinc/17/30/44/296173044.db2.gz DHMDFUVXNAPDKQ-QGZVFWFLSA-N 2 1 312.461 2.753 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nccn1Cc1ccccc1 ZINC000420308675 296173045 /nfs/dbraw/zinc/17/30/45/296173045.db2.gz DHMDFUVXNAPDKQ-QGZVFWFLSA-N 2 1 312.461 2.753 20 0 DFADMP CCc1ccccc1CC[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000277564645 213622347 /nfs/dbraw/zinc/62/23/47/213622347.db2.gz ASNUKQTXMZMCNG-FQEVSTJZSA-N 2 1 315.505 2.503 20 0 DFADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000420311581 296173399 /nfs/dbraw/zinc/17/33/99/296173399.db2.gz HEEXICYZOVKXRI-OALUTQOASA-N 2 1 307.526 2.964 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420313096 296173614 /nfs/dbraw/zinc/17/36/14/296173614.db2.gz INNCBRNZPOSPPT-NWDGAFQWSA-N 2 1 318.442 2.857 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000420313096 296173615 /nfs/dbraw/zinc/17/36/15/296173615.db2.gz INNCBRNZPOSPPT-NWDGAFQWSA-N 2 1 318.442 2.857 20 0 DFADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000420316041 296174092 /nfs/dbraw/zinc/17/40/92/296174092.db2.gz MFRAWUYWBPHUPV-RDJZCZTQSA-N 2 1 316.445 2.984 20 0 DFADMP CC[N@@H+](CCN1CC[NH2+]CC1)[C@H](C)c1cc2ccccc2o1 ZINC000420322290 296175018 /nfs/dbraw/zinc/17/50/18/296175018.db2.gz SKEHMPRFPOBUED-OAHLLOKOSA-N 2 1 301.434 2.721 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1cccs1 ZINC000420323975 296175418 /nfs/dbraw/zinc/17/54/18/296175418.db2.gz UUJLLVAPIUQYBL-BBWFWOEESA-N 2 1 316.470 2.816 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420326848 296175718 /nfs/dbraw/zinc/17/57/18/296175718.db2.gz XXJIOFYMEUVELM-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1C1CCCCC1 ZINC000420327278 296175793 /nfs/dbraw/zinc/17/57/93/296175793.db2.gz YBVXIBJUJOMCHL-UFYCRDLUSA-N 2 1 316.489 2.962 20 0 DFADMP COc1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420328528 296176073 /nfs/dbraw/zinc/17/60/73/296176073.db2.gz ZUPCVOOWLVVSPU-QFBILLFUSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccccc1CCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338267 296177562 /nfs/dbraw/zinc/17/75/62/296177562.db2.gz XPYALCLKRDCOIF-ROUUACIJSA-N 2 1 302.462 2.949 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420345049 296178238 /nfs/dbraw/zinc/17/82/38/296178238.db2.gz UZDOYQANIKFKPP-YESZJQIVSA-N 2 1 315.461 2.562 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000420346027 296178252 /nfs/dbraw/zinc/17/82/52/296178252.db2.gz XCBLAHNDOIKRQO-INIZCTEOSA-N 2 1 319.424 2.537 20 0 DFADMP c1csc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420346036 296178264 /nfs/dbraw/zinc/17/82/64/296178264.db2.gz XGMVXJLNJJNMRG-CHWSQXEVSA-N 2 1 318.446 2.620 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420347823 296178369 /nfs/dbraw/zinc/17/83/69/296178369.db2.gz ZJTIPDFOTFVOIE-YESZJQIVSA-N 2 1 315.461 2.562 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccsc3C2)cc1 ZINC000420358561 296179606 /nfs/dbraw/zinc/17/96/06/296179606.db2.gz JPQQXZYRYJQQSP-HNNXBMFYSA-N 2 1 302.443 2.857 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420357146 296179678 /nfs/dbraw/zinc/17/96/78/296179678.db2.gz DDQLHZBGUCVEPN-KEYYUXOJSA-N 2 1 314.433 2.645 20 0 DFADMP C[C@@H](O)C[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886934 296180596 /nfs/dbraw/zinc/18/05/96/296180596.db2.gz XBFWXKYDNYCSQH-BFYDXBDKSA-N 2 1 324.896 2.953 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000420369649 296181500 /nfs/dbraw/zinc/18/15/00/296181500.db2.gz XYFMASSJEGOUBI-KRWDZBQOSA-N 2 1 314.404 2.935 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000420369649 296181501 /nfs/dbraw/zinc/18/15/01/296181501.db2.gz XYFMASSJEGOUBI-KRWDZBQOSA-N 2 1 314.404 2.935 20 0 DFADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420374493 296182349 /nfs/dbraw/zinc/18/23/49/296182349.db2.gz NTSQYBYYYFFJBF-OLZOCXBDSA-N 2 1 316.371 2.538 20 0 DFADMP COc1ccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420379940 296183641 /nfs/dbraw/zinc/18/36/41/296183641.db2.gz BSKUWZXWVSOLMM-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCSc2ccccc2Cl)CCCO1 ZINC000420384215 296184079 /nfs/dbraw/zinc/18/40/79/296184079.db2.gz GDWFNOSCPWJJHX-ZDUSSCGKSA-N 2 1 314.882 2.872 20 0 DFADMP CCCc1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000420390260 296184736 /nfs/dbraw/zinc/18/47/36/296184736.db2.gz ZFKLNKYLXPZXKZ-DOTOQJQBSA-N 2 1 323.506 2.814 20 0 DFADMP C[C@@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000420385231 296184320 /nfs/dbraw/zinc/18/43/20/296184320.db2.gz SPSRTVKPQJXXFF-GDBMZVCRSA-N 2 1 314.433 2.586 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393070 296185150 /nfs/dbraw/zinc/18/51/50/296185150.db2.gz JJRMWYQEOGONRH-YOEHRIQHSA-N 2 1 319.424 2.618 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399719 296186100 /nfs/dbraw/zinc/18/61/00/296186100.db2.gz OFFCDYATQSLCFL-RCCFBDPRSA-N 2 1 323.525 2.781 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420399719 296186102 /nfs/dbraw/zinc/18/61/02/296186102.db2.gz OFFCDYATQSLCFL-RCCFBDPRSA-N 2 1 323.525 2.781 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399716 296186181 /nfs/dbraw/zinc/18/61/81/296186181.db2.gz OFFCDYATQSLCFL-BZSNNMDCSA-N 2 1 323.525 2.781 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420399716 296186183 /nfs/dbraw/zinc/18/61/83/296186183.db2.gz OFFCDYATQSLCFL-BZSNNMDCSA-N 2 1 323.525 2.781 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420402490 296186538 /nfs/dbraw/zinc/18/65/38/296186538.db2.gz QOWUDCNBVBWRFM-SJLPKXTDSA-N 2 1 301.434 2.609 20 0 DFADMP CC(C)N1CC[C@@H]([NH2+]C[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000420404590 296186849 /nfs/dbraw/zinc/18/68/49/296186849.db2.gz MGLPEOCQXMQSJO-IUIKQTSFSA-N 2 1 313.848 2.940 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407408 296187172 /nfs/dbraw/zinc/18/71/72/296187172.db2.gz VFPCABPDWMQDLC-QZTJIDSGSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420407408 296187174 /nfs/dbraw/zinc/18/71/74/296187174.db2.gz VFPCABPDWMQDLC-QZTJIDSGSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCc2nc3ccccc3n2C)CC[N@@H+]1C ZINC000266013491 205026898 /nfs/dbraw/zinc/02/68/98/205026898.db2.gz TXTXVJPQJFINTM-HUUCEWRRSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCc2nc3ccccc3n2C)CC[N@H+]1C ZINC000266013491 205026901 /nfs/dbraw/zinc/02/69/01/205026901.db2.gz TXTXVJPQJFINTM-HUUCEWRRSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCc2nc3ccccc3n2C)CC[NH+]1C ZINC000266013491 205026904 /nfs/dbraw/zinc/02/69/04/205026904.db2.gz TXTXVJPQJFINTM-HUUCEWRRSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2nc3ccccc3n2C)CC[NH+]1C ZINC000266013491 205026909 /nfs/dbraw/zinc/02/69/09/205026909.db2.gz TXTXVJPQJFINTM-HUUCEWRRSA-N 2 1 300.450 2.530 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618657867 399199274 /nfs/dbraw/zinc/19/92/74/399199274.db2.gz RMJKMERHFPJWFF-QGZVFWFLSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000271666561 209109865 /nfs/dbraw/zinc/10/98/65/209109865.db2.gz MCRIRAHDRMZSDE-ZBFHGGJFSA-N 2 1 324.490 2.615 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000271666561 209109871 /nfs/dbraw/zinc/10/98/71/209109871.db2.gz MCRIRAHDRMZSDE-ZBFHGGJFSA-N 2 1 324.490 2.615 20 0 DFADMP CCC[N@@H+](C)CC(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000063755711 399206995 /nfs/dbraw/zinc/20/69/95/399206995.db2.gz VKAJTOAHLSXSRA-UHFFFAOYSA-N 2 1 309.498 2.633 20 0 DFADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000614353953 399215852 /nfs/dbraw/zinc/21/58/52/399215852.db2.gz RFDUEGYWLLWRRV-QGZVFWFLSA-N 2 1 324.428 2.919 20 0 DFADMP CN1CCC[C@@H]1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000614353953 399215856 /nfs/dbraw/zinc/21/58/56/399215856.db2.gz RFDUEGYWLLWRRV-QGZVFWFLSA-N 2 1 324.428 2.919 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@@H](C)C(C)C ZINC000157860640 284399062 /nfs/dbraw/zinc/39/90/62/284399062.db2.gz RJYKGRBRXNDAJI-FUHWJXTLSA-N 2 1 319.493 2.772 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)[C@H](C)C(C)C ZINC000249357250 284399543 /nfs/dbraw/zinc/39/95/43/284399543.db2.gz RJYKGRBRXNDAJI-SJLPKXTDSA-N 2 1 319.493 2.772 20 0 DFADMP O=C(N[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081292940 399223782 /nfs/dbraw/zinc/22/37/82/399223782.db2.gz FUOLRHZRBMLYDY-KRWDZBQOSA-N 2 1 322.412 2.792 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420903534 296210241 /nfs/dbraw/zinc/21/02/41/296210241.db2.gz OJTNIEHAHWMSDG-IAGOWNOFSA-N 2 1 302.462 2.997 20 0 DFADMP Cc1ncsc1C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000608056200 399229088 /nfs/dbraw/zinc/22/90/88/399229088.db2.gz FLMNZGMCTXMVKF-CQSZACIVSA-N 2 1 317.462 2.617 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000420933772 296214565 /nfs/dbraw/zinc/21/45/65/296214565.db2.gz IHZCPUWUQUGPCR-SJORKVTESA-N 2 1 302.462 2.997 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H]1C ZINC000420933772 296214566 /nfs/dbraw/zinc/21/45/66/296214566.db2.gz IHZCPUWUQUGPCR-SJORKVTESA-N 2 1 302.462 2.997 20 0 DFADMP CSC[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937559 296214699 /nfs/dbraw/zinc/21/46/99/296214699.db2.gz OFWVHVZZPUSGGE-SFHVURJKSA-N 2 1 320.502 2.846 20 0 DFADMP CSC[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420937559 296214701 /nfs/dbraw/zinc/21/47/01/296214701.db2.gz OFWVHVZZPUSGGE-SFHVURJKSA-N 2 1 320.502 2.846 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](CCc3ccccc3)CC2)CC1 ZINC000420982076 296220728 /nfs/dbraw/zinc/22/07/28/296220728.db2.gz OONNZRJHLLSYOG-UHFFFAOYSA-N 2 1 315.505 2.721 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622408572 399252008 /nfs/dbraw/zinc/25/20/08/399252008.db2.gz CPNQDGUCZMRFCF-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622408572 399252012 /nfs/dbraw/zinc/25/20/12/399252012.db2.gz CPNQDGUCZMRFCF-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622408572 399252014 /nfs/dbraw/zinc/25/20/14/399252014.db2.gz CPNQDGUCZMRFCF-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1nn(-c2ccncc2)cc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000421374468 296250008 /nfs/dbraw/zinc/25/00/08/296250008.db2.gz OZFLYNKYBYMCHU-UHFFFAOYSA-N 2 1 313.449 2.538 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CC=CCC3)CC2)CC1 ZINC000421376905 296250382 /nfs/dbraw/zinc/25/03/82/296250382.db2.gz REJVBSMYSZQDRX-GOSISDBHSA-N 2 1 305.510 2.835 20 0 DFADMP C[NH+]1CCC([NH2+]CCOc2ccc(Br)cc2)CC1 ZINC000042224460 183243563 /nfs/dbraw/zinc/24/35/63/183243563.db2.gz KKGMPXNPBGMKKO-UHFFFAOYSA-N 2 1 313.239 2.512 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC2(CCC([NH+](C)C)CC2)CC1)C1CC1 ZINC000615443601 399337466 /nfs/dbraw/zinc/33/74/66/399337466.db2.gz JCKQMARVUWVGDG-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284400169 218010693 /nfs/dbraw/zinc/01/06/93/218010693.db2.gz PSTUONBXGRSYHG-ZDUSSCGKSA-N 2 1 301.438 2.705 20 0 DFADMP C[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1)Cc1ccccc1 ZINC000284453392 218033502 /nfs/dbraw/zinc/03/35/02/218033502.db2.gz ILZRRNCXCQNKSR-UHFFFAOYSA-N 2 1 322.412 2.586 20 0 DFADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000104682050 194025808 /nfs/dbraw/zinc/02/58/08/194025808.db2.gz LLDKLPPHXRYCBX-UHFFFAOYSA-N 2 1 321.509 2.773 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+](C)C1CCCC1)c1ccccc1 ZINC000104928057 194053172 /nfs/dbraw/zinc/05/31/72/194053172.db2.gz BYUPGUYLORTYIE-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000104928057 194053175 /nfs/dbraw/zinc/05/31/75/194053175.db2.gz BYUPGUYLORTYIE-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000104928057 194053177 /nfs/dbraw/zinc/05/31/77/194053177.db2.gz BYUPGUYLORTYIE-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc(OC)c1 ZINC000105443811 194104928 /nfs/dbraw/zinc/10/49/28/194104928.db2.gz IATCYMXGAZVMIH-ZDUSSCGKSA-N 2 1 303.406 2.635 20 0 DFADMP C[N@@H+]1CCO[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000284894680 218226061 /nfs/dbraw/zinc/22/60/61/218226061.db2.gz HHHXXMIXFNCTND-DLBZAZTESA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CCO[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000284894680 218226067 /nfs/dbraw/zinc/22/60/67/218226067.db2.gz HHHXXMIXFNCTND-DLBZAZTESA-N 2 1 317.820 2.798 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336029 399365805 /nfs/dbraw/zinc/36/58/05/399365805.db2.gz RGROPLDXIMPBSH-DLBZAZTESA-N 2 1 307.457 2.891 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)c2ccc(F)cc2)CC1 ZINC000105876212 194153166 /nfs/dbraw/zinc/15/31/66/194153166.db2.gz GFWPQCVUMJTTKF-QGZVFWFLSA-N 2 1 317.408 2.547 20 0 DFADMP C[NH+](C)CCOc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623361829 399373180 /nfs/dbraw/zinc/37/31/80/399373180.db2.gz RILZAEZZJXCXCN-QGZVFWFLSA-N 2 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623361829 399373183 /nfs/dbraw/zinc/37/31/83/399373183.db2.gz RILZAEZZJXCXCN-QGZVFWFLSA-N 3 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623361829 399373188 /nfs/dbraw/zinc/37/31/88/399373188.db2.gz RILZAEZZJXCXCN-QGZVFWFLSA-N 3 1 319.493 2.589 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC1CC1 ZINC000623410875 399382712 /nfs/dbraw/zinc/38/27/12/399382712.db2.gz JMWGDMOQEWJTMD-OAHLLOKOSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc2c1OCC[C@@H]2N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623418505 399385023 /nfs/dbraw/zinc/38/50/23/399385023.db2.gz SOJFYDMTJDFQHW-ZFWWWQNUSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccccc1O[C@@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623433537 399388792 /nfs/dbraw/zinc/38/87/92/399388792.db2.gz NWVDYTFPYHNPQE-LSDHHAIUSA-N 2 1 306.450 2.925 20 0 DFADMP c1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc(C2CC2)c1 ZINC000422550662 296311713 /nfs/dbraw/zinc/31/17/13/296311713.db2.gz BQSMZUCROZTMQZ-MOPGFXCFSA-N 2 1 312.457 2.764 20 0 DFADMP c1cc(COc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)ccn1 ZINC000422563703 296312988 /nfs/dbraw/zinc/31/29/88/296312988.db2.gz UJOKUFWFJNZBET-UHFFFAOYSA-N 2 1 323.440 2.989 20 0 DFADMP COc1cc(NCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000623470633 399397013 /nfs/dbraw/zinc/39/70/13/399397013.db2.gz UKJVLQVNNOWUTB-AWEZNQCLSA-N 2 1 321.465 2.578 20 0 DFADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268879643 207048577 /nfs/dbraw/zinc/04/85/77/207048577.db2.gz XJSLDZPYRRCMAX-NVXWUHKLSA-N 2 1 306.450 2.583 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000268880114 207050981 /nfs/dbraw/zinc/05/09/81/207050981.db2.gz AVTXGMAJRMSZNU-LSDHHAIUSA-N 2 1 301.434 2.999 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)c1ccccc1 ZINC000268885533 207054624 /nfs/dbraw/zinc/05/46/24/207054624.db2.gz YTFCSUOHHDPXNC-MRXNPFEDSA-N 2 1 304.478 2.789 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000268901182 207068761 /nfs/dbraw/zinc/06/87/61/207068761.db2.gz UNBKSCSTAHHRMH-WBVHZDCISA-N 2 1 312.461 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000268901182 207068764 /nfs/dbraw/zinc/06/87/64/207068764.db2.gz UNBKSCSTAHHRMH-WBVHZDCISA-N 2 1 312.461 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000268901182 207068769 /nfs/dbraw/zinc/06/87/69/207068769.db2.gz UNBKSCSTAHHRMH-WBVHZDCISA-N 2 1 312.461 2.532 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623493628 399401110 /nfs/dbraw/zinc/40/11/10/399401110.db2.gz LWLRJFCVDHNIGW-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493628 399401112 /nfs/dbraw/zinc/40/11/12/399401112.db2.gz LWLRJFCVDHNIGW-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623493628 399401113 /nfs/dbraw/zinc/40/11/13/399401113.db2.gz LWLRJFCVDHNIGW-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493628 399401115 /nfs/dbraw/zinc/40/11/15/399401115.db2.gz LWLRJFCVDHNIGW-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623493628 399401117 /nfs/dbraw/zinc/40/11/17/399401117.db2.gz LWLRJFCVDHNIGW-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000268914159 207081566 /nfs/dbraw/zinc/08/15/66/207081566.db2.gz ILORYHGMVJOYQA-WMZOPIPTSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000268914159 207081571 /nfs/dbraw/zinc/08/15/71/207081571.db2.gz ILORYHGMVJOYQA-WMZOPIPTSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(N2CCCC2=O)c1 ZINC000422704255 296319109 /nfs/dbraw/zinc/31/91/09/296319109.db2.gz PAQVLUZHYCYCMD-KTFSGNIMSA-N 2 1 313.445 2.747 20 0 DFADMP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156902962 197148910 /nfs/dbraw/zinc/14/89/10/197148910.db2.gz FIEJPSRNSGASSL-QAPCUYQASA-N 2 1 317.477 2.518 20 0 DFADMP C[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422703003 296318650 /nfs/dbraw/zinc/31/86/50/296318650.db2.gz MBKUKWORVDMOFE-LPHOPBHVSA-N 2 1 315.505 2.944 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268922004 207088327 /nfs/dbraw/zinc/08/83/27/207088327.db2.gz XBJSOXOPGOYOCB-RNIPGJKVSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(N2CCCC2=O)c1 ZINC000422704250 296318939 /nfs/dbraw/zinc/31/89/39/296318939.db2.gz PAQVLUZHYCYCMD-JTUUTPGSSA-N 2 1 313.445 2.747 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422716184 296320570 /nfs/dbraw/zinc/32/05/70/296320570.db2.gz NBWAIPXROZZPIO-OKZBNKHCSA-N 2 1 318.461 2.721 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)N1CCc2sccc2C1 ZINC000422721991 296321836 /nfs/dbraw/zinc/32/18/36/296321836.db2.gz WNSRRGIHEMEIBK-OLZOCXBDSA-N 2 1 316.474 2.653 20 0 DFADMP CN(C)c1c(C[NH2+]CCCC[N@@H+](C)C2CC2)ccc(F)c1F ZINC000623544603 399412992 /nfs/dbraw/zinc/41/29/92/399412992.db2.gz AUGVCFGJLDAXGE-UHFFFAOYSA-N 2 1 311.420 2.995 20 0 DFADMP OCCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000268959278 207123180 /nfs/dbraw/zinc/12/31/80/207123180.db2.gz FGBNSKYQCUISOZ-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP OCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000268959278 207123185 /nfs/dbraw/zinc/12/31/85/207123185.db2.gz FGBNSKYQCUISOZ-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP OCCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000268959278 207123189 /nfs/dbraw/zinc/12/31/89/207123189.db2.gz FGBNSKYQCUISOZ-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563633 399417064 /nfs/dbraw/zinc/41/70/64/399417064.db2.gz FFKFCFCJEDZTPX-FCDRMGDPSA-N 2 1 314.473 2.777 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000268971028 207134599 /nfs/dbraw/zinc/13/45/99/207134599.db2.gz ZYBQGBDIXFVIHQ-AYOQOUSVSA-N 2 1 320.477 2.827 20 0 DFADMP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422724956 296322176 /nfs/dbraw/zinc/32/21/76/296322176.db2.gz XGNKLAZNZUPRSL-IPMKNSEASA-N 3 1 305.510 2.761 20 0 DFADMP COc1cccc([C@@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)OC)c1 ZINC000623587415 399422940 /nfs/dbraw/zinc/42/29/40/399422940.db2.gz PZVCPENPSMDNPJ-DOTOQJQBSA-N 2 1 306.450 2.845 20 0 DFADMP CS[C@@H]1CCCC[N@@H+](C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000610990458 399424786 /nfs/dbraw/zinc/42/47/86/399424786.db2.gz PBFUELYTWCWPPF-ZWKOTPCHSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@@H]1CCCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000610990458 399424790 /nfs/dbraw/zinc/42/47/90/399424790.db2.gz PBFUELYTWCWPPF-ZWKOTPCHSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@@H]1CCCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000610990458 399424792 /nfs/dbraw/zinc/42/47/92/399424792.db2.gz PBFUELYTWCWPPF-ZWKOTPCHSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@@H]1CCCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000610990458 399424795 /nfs/dbraw/zinc/42/47/95/399424795.db2.gz PBFUELYTWCWPPF-ZWKOTPCHSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@@H]1CCCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000610990458 399424797 /nfs/dbraw/zinc/42/47/97/399424797.db2.gz PBFUELYTWCWPPF-ZWKOTPCHSA-N 2 1 322.518 2.697 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422731446 296323074 /nfs/dbraw/zinc/32/30/74/296323074.db2.gz LRVWARKICLOGSJ-PMPSAXMXSA-N 2 1 307.507 2.863 20 0 DFADMP COc1ccc([C@H](NC[C@H](C)[N@@H+](C)C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422732688 296323407 /nfs/dbraw/zinc/32/34/07/296323407.db2.gz AGZUIQWGJOUJIN-KYNGSXCRSA-N 2 1 317.477 2.561 20 0 DFADMP CCc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000422732796 296323507 /nfs/dbraw/zinc/32/35/07/296323507.db2.gz PIOJTJBBZBTAIF-SNRMKQJTSA-N 2 1 303.494 2.829 20 0 DFADMP CC[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269030094 207179142 /nfs/dbraw/zinc/17/91/42/207179142.db2.gz DLKZJJCTIDWZAV-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1)O[C@@H](C)C2 ZINC000623655261 399435763 /nfs/dbraw/zinc/43/57/63/399435763.db2.gz SRHYKFKAJXLWIF-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)O[C@@H](C)C2 ZINC000623655261 399435764 /nfs/dbraw/zinc/43/57/64/399435764.db2.gz SRHYKFKAJXLWIF-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623654960 399435901 /nfs/dbraw/zinc/43/59/01/399435901.db2.gz LEGVXVRBNYRXLI-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623654960 399435903 /nfs/dbraw/zinc/43/59/03/399435903.db2.gz LEGVXVRBNYRXLI-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)c(C)nc2s1 ZINC000623655743 399436646 /nfs/dbraw/zinc/43/66/46/399436646.db2.gz DMGUOFMGZYUVIC-AWEZNQCLSA-N 2 1 306.479 2.834 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)c(C)nc2s1 ZINC000623655743 399436649 /nfs/dbraw/zinc/43/66/49/399436649.db2.gz DMGUOFMGZYUVIC-AWEZNQCLSA-N 2 1 306.479 2.834 20 0 DFADMP COCCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623655619 399435668 /nfs/dbraw/zinc/43/56/68/399435668.db2.gz ALSNUPWNGFMPSC-KRWDZBQOSA-N 2 1 306.450 2.533 20 0 DFADMP C[N@H+]1CCCC[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000623656493 399437257 /nfs/dbraw/zinc/43/72/57/399437257.db2.gz VJKLZAZKHDHVJD-IBGZPJMESA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000623656493 399437262 /nfs/dbraw/zinc/43/72/62/399437262.db2.gz VJKLZAZKHDHVJD-IBGZPJMESA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000623656493 399437265 /nfs/dbraw/zinc/43/72/65/399437265.db2.gz VJKLZAZKHDHVJD-IBGZPJMESA-N 2 1 315.505 2.973 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623733591 399453072 /nfs/dbraw/zinc/45/30/72/399453072.db2.gz UFWCUMYIYDCYFK-ZMSDIMECSA-N 2 1 320.481 2.756 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623733591 399453076 /nfs/dbraw/zinc/45/30/76/399453076.db2.gz UFWCUMYIYDCYFK-ZMSDIMECSA-N 2 1 320.481 2.756 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195095 184278051 /nfs/dbraw/zinc/27/80/51/184278051.db2.gz UKTMCXNVQXKGPP-WFASDCNBSA-N 2 1 309.841 2.870 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195095 184278052 /nfs/dbraw/zinc/27/80/52/184278052.db2.gz UKTMCXNVQXKGPP-WFASDCNBSA-N 2 1 309.841 2.870 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccccc2)CC1 ZINC000269138682 207270437 /nfs/dbraw/zinc/27/04/37/207270437.db2.gz XKFFKVKODPENBM-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000269138682 207270440 /nfs/dbraw/zinc/27/04/40/207270440.db2.gz XKFFKVKODPENBM-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000269138682 207270442 /nfs/dbraw/zinc/27/04/42/207270442.db2.gz XKFFKVKODPENBM-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422738253 296324010 /nfs/dbraw/zinc/32/40/10/296324010.db2.gz JHQXRVVPMJVKCY-QRVBRYPASA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422738253 296324011 /nfs/dbraw/zinc/32/40/11/296324011.db2.gz JHQXRVVPMJVKCY-QRVBRYPASA-N 2 1 301.478 2.901 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422737171 296324092 /nfs/dbraw/zinc/32/40/92/296324092.db2.gz HTHPVWXBKKSOJW-WDSOQIARSA-N 2 1 303.494 2.655 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000602543727 399471639 /nfs/dbraw/zinc/47/16/39/399471639.db2.gz GBEPQXFHBZAIOK-AWEZNQCLSA-N 2 1 309.454 2.566 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000422737194 296324237 /nfs/dbraw/zinc/32/42/37/296324237.db2.gz ZCHZZCMSBYDWHY-NWDGAFQWSA-N 2 1 302.340 2.715 20 0 DFADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422748215 296325832 /nfs/dbraw/zinc/32/58/32/296325832.db2.gz SMYCUJVTCAWIBB-LZLYRXPVSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422748215 296325833 /nfs/dbraw/zinc/32/58/33/296325833.db2.gz SMYCUJVTCAWIBB-LZLYRXPVSA-N 3 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1c(F)cccc1F)N(C)C)c1c[nH+]ccc1N ZINC000422745618 296325363 /nfs/dbraw/zinc/32/53/63/296325363.db2.gz MOTIONFMMSJOKG-MEDUHNTESA-N 2 1 320.387 2.726 20 0 DFADMP CCOc1cc(CCC[NH2+][C@H]2C[NH2+]CC[C@H]2C)ccc1OC ZINC000422753513 296326836 /nfs/dbraw/zinc/32/68/36/296326836.db2.gz IMNPBGNMACLETF-ZBFHGGJFSA-N 2 1 306.450 2.614 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[nH]1 ZINC000602573894 399479260 /nfs/dbraw/zinc/47/92/60/399479260.db2.gz AIFKYUZGFDWPCU-OAHLLOKOSA-N 2 1 321.465 2.649 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[nH]1 ZINC000602573894 399479263 /nfs/dbraw/zinc/47/92/63/399479263.db2.gz AIFKYUZGFDWPCU-OAHLLOKOSA-N 2 1 321.465 2.649 20 0 DFADMP O=C1[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCCN1c1ccccc1Cl ZINC000422782104 296332079 /nfs/dbraw/zinc/33/20/79/296332079.db2.gz MUVIJZGNWHBWRK-UKRRQHHQSA-N 2 1 321.852 2.567 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000422783828 296332395 /nfs/dbraw/zinc/33/23/95/296332395.db2.gz NIFYZVZDJLPAFZ-GFCCVEGCSA-N 2 1 302.397 2.722 20 0 DFADMP COc1ccc(O[C@@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422790597 296333298 /nfs/dbraw/zinc/33/32/98/296333298.db2.gz PKPXMIBCBYBWRF-STQMWFEESA-N 2 1 301.390 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000422794685 296333974 /nfs/dbraw/zinc/33/39/74/296333974.db2.gz ZDUWXHUURMDRJD-LSDHHAIUSA-N 2 1 304.482 2.620 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000422793863 296334094 /nfs/dbraw/zinc/33/40/94/296334094.db2.gz TUDUSLYFZWRSME-JLSDUUJJSA-N 2 1 306.450 2.973 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000422794678 296334208 /nfs/dbraw/zinc/33/42/08/296334208.db2.gz ZDUWXHUURMDRJD-CABCVRRESA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422798337 296334772 /nfs/dbraw/zinc/33/47/72/296334772.db2.gz QRRXJENDEAEOTP-MAUKXSAKSA-N 2 1 316.493 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC000422798337 296334773 /nfs/dbraw/zinc/33/47/73/296334773.db2.gz QRRXJENDEAEOTP-MAUKXSAKSA-N 2 1 316.493 2.764 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797258 296334897 /nfs/dbraw/zinc/33/48/97/296334897.db2.gz LSAJRYRQZCPWON-QXAKKESOSA-N 2 1 319.493 2.795 20 0 DFADMP [NH3+][C@H]1C[C@H](NCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422805648 296336471 /nfs/dbraw/zinc/33/64/71/296336471.db2.gz MKZJXQIKNKCMBL-PMACEKPBSA-N 2 1 307.441 2.779 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422805784 296336211 /nfs/dbraw/zinc/33/62/11/296336211.db2.gz JOABGHQIIZPPIG-IEBWSBKVSA-N 2 1 301.478 2.542 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422805784 296336213 /nfs/dbraw/zinc/33/62/13/296336213.db2.gz JOABGHQIIZPPIG-IEBWSBKVSA-N 2 1 301.478 2.542 20 0 DFADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631844720 399507038 /nfs/dbraw/zinc/50/70/38/399507038.db2.gz LRNGSDNGVNDCQL-KBXCAEBGSA-N 2 1 313.449 2.868 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422820926 296339437 /nfs/dbraw/zinc/33/94/37/296339437.db2.gz SWSLLNQCQZDIPH-APWZRJJASA-N 2 1 324.472 2.730 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000422823525 296339720 /nfs/dbraw/zinc/33/97/20/296339720.db2.gz DNLXBOSDDPVWIO-QFBILLFUSA-N 2 1 324.472 2.730 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cncn2)c2ccccc21 ZINC000422824059 296339775 /nfs/dbraw/zinc/33/97/75/296339775.db2.gz GCIFYSVYOIYVEU-MOPGFXCFSA-N 2 1 319.412 2.561 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000422826671 296340152 /nfs/dbraw/zinc/34/01/52/296340152.db2.gz LRUZYFCXLFENGC-QRQLOZEOSA-N 2 1 301.478 2.720 20 0 DFADMP CCOC(=O)C[N@@H+](CC1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000346999082 285000153 /nfs/dbraw/zinc/00/01/53/285000153.db2.gz FIUQKCYTNOKSOQ-OAHLLOKOSA-N 2 1 304.434 2.612 20 0 DFADMP C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833297 296341297 /nfs/dbraw/zinc/34/12/97/296341297.db2.gz MHHPGCXAJBCADQ-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000347065342 285009390 /nfs/dbraw/zinc/00/93/90/285009390.db2.gz KNUDZRXFRYJAKT-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OCC ZINC000347065342 285009391 /nfs/dbraw/zinc/00/93/91/285009391.db2.gz KNUDZRXFRYJAKT-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422842441 296343113 /nfs/dbraw/zinc/34/31/13/296343113.db2.gz FWQRRGWATKMODO-FXAWDEMLSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000422842441 296343114 /nfs/dbraw/zinc/34/31/14/296343114.db2.gz FWQRRGWATKMODO-FXAWDEMLSA-N 3 1 315.505 2.671 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]C3CC[NH2+]CC3)cc2)C1 ZINC000422857809 296345801 /nfs/dbraw/zinc/34/58/01/296345801.db2.gz HYKOURHEBXZHEX-INIZCTEOSA-N 3 1 301.478 2.760 20 0 DFADMP COc1ccc([C@@H]([NH2+]CC2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422853271 296345437 /nfs/dbraw/zinc/34/54/37/296345437.db2.gz YTNUJUBVIWIAGU-ZWKOTPCHSA-N 2 1 304.434 2.505 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccc(CNC3CC[NH2+]CC3)cc2)C1 ZINC000422857809 296345802 /nfs/dbraw/zinc/34/58/02/296345802.db2.gz HYKOURHEBXZHEX-INIZCTEOSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC3CC[NH2+]CC3)cc2)C1 ZINC000422857809 296345804 /nfs/dbraw/zinc/34/58/04/296345804.db2.gz HYKOURHEBXZHEX-INIZCTEOSA-N 2 1 301.478 2.760 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CCCCC[C@H]1[NH3+] ZINC000422861320 296346483 /nfs/dbraw/zinc/34/64/83/296346483.db2.gz JAUKGCYEFCIIQA-SJORKVTESA-N 2 1 306.450 2.770 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422859728 296346065 /nfs/dbraw/zinc/34/60/65/296346065.db2.gz KETLYURVPGPJSM-SJORKVTESA-N 2 1 301.434 2.563 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+] ZINC000422861317 296346380 /nfs/dbraw/zinc/34/63/80/296346380.db2.gz JAUKGCYEFCIIQA-DLBZAZTESA-N 2 1 306.450 2.770 20 0 DFADMP CC[C@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)[N@@H+](C)Cc1ccccc1 ZINC000422866364 296347176 /nfs/dbraw/zinc/34/71/76/296347176.db2.gz QIGGHFLFHNFGSV-IEBWSBKVSA-N 2 1 319.493 2.777 20 0 DFADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000422867044 296347248 /nfs/dbraw/zinc/34/72/48/296347248.db2.gz RMCZKUHTADMORI-WMLDXEAASA-N 3 1 316.449 2.585 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(OC[C@@H]2CCCO2)c1 ZINC000422870807 296347672 /nfs/dbraw/zinc/34/76/72/296347672.db2.gz CHMKAQPYUDGDJP-NUJGCVRESA-N 2 1 318.461 2.640 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH2+]CC2)C1 ZINC000422878636 296349163 /nfs/dbraw/zinc/34/91/63/296349163.db2.gz JKQKBTLWGLOHPW-MRXNPFEDSA-N 3 1 301.478 2.760 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC2CC[NH2+]CC2)C1 ZINC000422878636 296349165 /nfs/dbraw/zinc/34/91/65/296349165.db2.gz JKQKBTLWGLOHPW-MRXNPFEDSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC2CC[NH2+]CC2)C1 ZINC000422878636 296349166 /nfs/dbraw/zinc/34/91/66/296349166.db2.gz JKQKBTLWGLOHPW-MRXNPFEDSA-N 2 1 301.478 2.760 20 0 DFADMP CC[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879654 296349373 /nfs/dbraw/zinc/34/93/73/296349373.db2.gz VVJPCLYEIAVLRK-YSHGAJCASA-N 2 1 301.478 2.770 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)[NH+]2CCCC2)o1 ZINC000422881155 296349791 /nfs/dbraw/zinc/34/97/91/296349791.db2.gz PQAPLZVNNJJCHR-OIISXLGYSA-N 2 1 305.466 2.703 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422889956 296351204 /nfs/dbraw/zinc/35/12/04/296351204.db2.gz RAJLCMJUSJJIFX-KVPLUYHFSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000422889956 296351205 /nfs/dbraw/zinc/35/12/05/296351205.db2.gz RAJLCMJUSJJIFX-KVPLUYHFSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000422889956 296351206 /nfs/dbraw/zinc/35/12/06/296351206.db2.gz RAJLCMJUSJJIFX-KVPLUYHFSA-N 2 1 315.505 2.875 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422888869 296351356 /nfs/dbraw/zinc/35/13/56/296351356.db2.gz OEYALVACLPCKBF-OKZBNKHCSA-N 2 1 321.509 2.678 20 0 DFADMP CC[C@@H](NCc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422901654 296353139 /nfs/dbraw/zinc/35/31/39/296353139.db2.gz LJTKPAGRXSFTPI-SJORKVTESA-N 2 1 316.424 2.940 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422893205 296351923 /nfs/dbraw/zinc/35/19/23/296351923.db2.gz PKDJSJLCFHDMJF-BXEVVDMOSA-N 2 1 315.461 2.588 20 0 DFADMP C[C@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@@H]1CCC[NH2+]1 ZINC000422894135 296351925 /nfs/dbraw/zinc/35/19/25/296351925.db2.gz SICROFRVLWWTSV-FZMZJTMJSA-N 2 1 302.340 2.858 20 0 DFADMP C[C@@H](CO)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347415955 285043477 /nfs/dbraw/zinc/04/34/77/285043477.db2.gz PQUNHHBOWUDYFS-KDEOWCQBSA-N 2 1 302.462 2.789 20 0 DFADMP Fc1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422895429 296352264 /nfs/dbraw/zinc/35/22/64/296352264.db2.gz VZBNQKWXEILHFX-FUHWJXTLSA-N 2 1 313.376 2.566 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@H](C)[NH3+])CC2)cs1 ZINC000422913839 296355242 /nfs/dbraw/zinc/35/52/42/296355242.db2.gz QWFYKMOLECUIHZ-UONOGXRCSA-N 3 1 324.538 2.633 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000422913705 296355248 /nfs/dbraw/zinc/35/52/48/296355248.db2.gz QOHFUKABGIIKSM-WTLGNFPFSA-N 3 1 317.477 2.610 20 0 DFADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C[C@H](C)O1 ZINC000422913705 296355250 /nfs/dbraw/zinc/35/52/50/296355250.db2.gz QOHFUKABGIIKSM-WTLGNFPFSA-N 2 1 317.477 2.610 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C[C@H](C)O1 ZINC000422913705 296355251 /nfs/dbraw/zinc/35/52/51/296355251.db2.gz QOHFUKABGIIKSM-WTLGNFPFSA-N 2 1 317.477 2.610 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)C[C@@H](C)[NH3+])CC2)cs1 ZINC000422913840 296355374 /nfs/dbraw/zinc/35/53/74/296355374.db2.gz QWFYKMOLECUIHZ-ZIAGYGMSSA-N 3 1 324.538 2.633 20 0 DFADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C[C@@H](C)O1 ZINC000422913703 296355159 /nfs/dbraw/zinc/35/51/59/296355159.db2.gz QOHFUKABGIIKSM-VVWQDTPRSA-N 2 1 317.477 2.610 20 0 DFADMP C[C@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422929285 296356570 /nfs/dbraw/zinc/35/65/70/296356570.db2.gz PCKIIPBODKFTAA-SWLSCSKDSA-N 2 1 324.852 2.774 20 0 DFADMP COc1cc(OC)cc(OCCC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422925719 296356195 /nfs/dbraw/zinc/35/61/95/296356195.db2.gz CEWQEFXHMZLDRJ-KDOFPFPSSA-N 2 1 322.449 2.593 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000422939212 296358327 /nfs/dbraw/zinc/35/83/27/296358327.db2.gz RARDYFVOBOHIKY-WDEREUQCSA-N 2 1 313.239 2.545 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000422941208 296358620 /nfs/dbraw/zinc/35/86/20/296358620.db2.gz OIJKBSSDNBZKID-RYRKJORJSA-N 2 1 317.477 2.592 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888788 399519785 /nfs/dbraw/zinc/51/97/85/399519785.db2.gz AYKQXHGRRLKGRO-RHSMWYFYSA-N 2 1 319.424 2.537 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888788 399519789 /nfs/dbraw/zinc/51/97/89/399519789.db2.gz AYKQXHGRRLKGRO-RHSMWYFYSA-N 2 1 319.424 2.537 20 0 DFADMP C[C@@H]([NH2+]CCc1nc2c(s1)CCCC2)c1c[nH+]ccc1N ZINC000422958386 296360920 /nfs/dbraw/zinc/36/09/20/296360920.db2.gz XMYCULKAOIZPCT-LLVKDONJSA-N 2 1 302.447 2.723 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422953338 296360385 /nfs/dbraw/zinc/36/03/85/296360385.db2.gz FHJLFCLLXNCMRV-VDHUWJSZSA-N 3 1 304.482 2.728 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000422961384 296361380 /nfs/dbraw/zinc/36/13/80/296361380.db2.gz BOKCQSHILKPVPB-QFBILLFUSA-N 2 1 312.461 2.843 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000347518642 285070246 /nfs/dbraw/zinc/07/02/46/285070246.db2.gz IRWYKZXVTUKQFA-HOTGVXAUSA-N 2 1 311.514 2.924 20 0 DFADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422976095 296363386 /nfs/dbraw/zinc/36/33/86/296363386.db2.gz UQFVVDQSCBCTMO-BHIYHBOVSA-N 3 1 301.478 2.801 20 0 DFADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000422990162 296364620 /nfs/dbraw/zinc/36/46/20/296364620.db2.gz MZEPHHYKLOZTQY-SFGNSQDASA-N 2 1 309.262 2.897 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422994520 296364991 /nfs/dbraw/zinc/36/49/91/296364991.db2.gz HZKNMCKXZNRHLT-RLLQIKCJSA-N 2 1 317.521 2.903 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423000694 296365809 /nfs/dbraw/zinc/36/58/09/296365809.db2.gz HEEGOWNBAPYADQ-QZTJIDSGSA-N 2 1 306.450 2.852 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000270248166 208312044 /nfs/dbraw/zinc/31/20/44/208312044.db2.gz IOEAPQPMPLQIJX-MRXNPFEDSA-N 2 1 303.450 2.706 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)c1ccccc1 ZINC000423010627 296367302 /nfs/dbraw/zinc/36/73/02/296367302.db2.gz YBYSWVSOXLHNKV-XUVXKRRUSA-N 2 1 310.441 2.845 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423003864 296366430 /nfs/dbraw/zinc/36/64/30/296366430.db2.gz NKSNLFUKNFFCCL-RDTXWAMCSA-N 2 1 308.429 2.654 20 0 DFADMP CC(C)CSCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423016868 296368267 /nfs/dbraw/zinc/36/82/67/296368267.db2.gz UVLMLVIBHHDACB-ARFHVFGLSA-N 2 1 300.512 2.512 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423029773 296369775 /nfs/dbraw/zinc/36/97/75/296369775.db2.gz VKZJUBSGUPPTIV-MKBNYLNASA-N 2 1 311.832 2.788 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000620624120 399546925 /nfs/dbraw/zinc/54/69/25/399546925.db2.gz OIGUKTXWMHDABZ-UHFFFAOYSA-N 2 1 323.481 2.972 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423042881 296371343 /nfs/dbraw/zinc/37/13/43/296371343.db2.gz MNLNRPBCRURTDO-BFQNTYOBSA-N 2 1 311.832 2.788 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000620624296 399547170 /nfs/dbraw/zinc/54/71/70/399547170.db2.gz UUGVJPHSGCODEG-MRXNPFEDSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000620624296 399547175 /nfs/dbraw/zinc/54/71/75/399547175.db2.gz UUGVJPHSGCODEG-MRXNPFEDSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000620624296 399547180 /nfs/dbraw/zinc/54/71/80/399547180.db2.gz UUGVJPHSGCODEG-MRXNPFEDSA-N 2 1 319.493 2.744 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C1C[NH2+]C1 ZINC000423048293 296371796 /nfs/dbraw/zinc/37/17/96/296371796.db2.gz IHJCUFLKGLSWKZ-NHYWBVRUSA-N 2 1 315.383 2.506 20 0 DFADMP CN(C)[C@@H](C[NH2+]C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423051530 296372468 /nfs/dbraw/zinc/37/24/68/296372468.db2.gz OEZNTOMAYXTEAJ-HNNXBMFYSA-N 2 1 315.383 2.650 20 0 DFADMP C[N@@H+]1CC=C(CNc2nccc(N3Cc4ccccc4C3)n2)CC1 ZINC000624085894 399548700 /nfs/dbraw/zinc/54/87/00/399548700.db2.gz IFGIMQBFYLAFLC-UHFFFAOYSA-N 2 1 321.428 2.671 20 0 DFADMP C[N@H+]1CC=C(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000624085894 399548706 /nfs/dbraw/zinc/54/87/06/399548706.db2.gz IFGIMQBFYLAFLC-UHFFFAOYSA-N 2 1 321.428 2.671 20 0 DFADMP C[C@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1Cc1ccccc1 ZINC000423066406 296374251 /nfs/dbraw/zinc/37/42/51/296374251.db2.gz WVTQWZIAIDECQV-JIRNRHONSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423066406 296374252 /nfs/dbraw/zinc/37/42/52/296374252.db2.gz WVTQWZIAIDECQV-JIRNRHONSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000159168005 197331907 /nfs/dbraw/zinc/33/19/07/197331907.db2.gz JZTBCPQLCQKPMU-OCCSQVGLSA-N 2 1 324.852 2.726 20 0 DFADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000423075249 296375225 /nfs/dbraw/zinc/37/52/25/296375225.db2.gz OCNHKTWDAPMVQM-HCXYKTFWSA-N 2 1 305.510 2.904 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423075469 296375294 /nfs/dbraw/zinc/37/52/94/296375294.db2.gz WWVFFXCDMOQWNX-HPBDAGMYSA-N 2 1 316.445 2.565 20 0 DFADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423083735 296376228 /nfs/dbraw/zinc/37/62/28/296376228.db2.gz GOJVOASIMYKOEG-AVAKVYKDSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000423083735 296376229 /nfs/dbraw/zinc/37/62/29/296376229.db2.gz GOJVOASIMYKOEG-AVAKVYKDSA-N 2 1 301.478 2.616 20 0 DFADMP Fc1ccccc1Oc1cc(C[NH2+]C2CC[NH2+]CC2)ccn1 ZINC000423084650 296376299 /nfs/dbraw/zinc/37/62/99/296376299.db2.gz IIGKIFFWDKNNLA-UHFFFAOYSA-N 2 1 301.365 2.855 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423076620 296375482 /nfs/dbraw/zinc/37/54/82/296375482.db2.gz ZMSAYJIYDVOIGX-BSDSXHPESA-N 2 1 316.445 2.565 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616993726 399557501 /nfs/dbraw/zinc/55/75/01/399557501.db2.gz MFGQMLZPMKFOHM-RDJZCZTQSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616993726 399557506 /nfs/dbraw/zinc/55/75/06/399557506.db2.gz MFGQMLZPMKFOHM-RDJZCZTQSA-N 2 1 317.477 2.526 20 0 DFADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)c1 ZINC000423095435 296377520 /nfs/dbraw/zinc/37/75/20/296377520.db2.gz MDWQYOPKRWEVKN-HZZCBIDNSA-N 2 1 318.436 2.818 20 0 DFADMP C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@@H]1CCC[NH2+]1 ZINC000423092094 296377540 /nfs/dbraw/zinc/37/75/40/296377540.db2.gz ANZSCYIQOWILIP-DOMZBBRYSA-N 2 1 316.367 2.900 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000423094840 296377645 /nfs/dbraw/zinc/37/76/45/296377645.db2.gz CUWFMLOYWYHYPK-WBVHZDCISA-N 2 1 315.461 2.824 20 0 DFADMP c1ccc(COc2cnccc2C[NH2+][C@@H]2CCC[NH2+]CC2)cc1 ZINC000423103851 296378508 /nfs/dbraw/zinc/37/85/08/296378508.db2.gz LMLBTUWEIMNWRJ-GOSISDBHSA-N 2 1 311.429 2.892 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000616996511 399558632 /nfs/dbraw/zinc/55/86/32/399558632.db2.gz JQLYCVIMXQIBOK-INIZCTEOSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423103093 296378627 /nfs/dbraw/zinc/37/86/27/296378627.db2.gz XNHFREYLOXDPBS-WFASDCNBSA-N 2 1 316.367 2.758 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423103092 296378661 /nfs/dbraw/zinc/37/86/61/296378661.db2.gz XNHFREYLOXDPBS-SWLSCSKDSA-N 2 1 316.367 2.758 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NCC(C)C)CC1 ZINC000120241426 195125794 /nfs/dbraw/zinc/12/57/94/195125794.db2.gz DVYDNIHWZOHYAM-INIZCTEOSA-N 2 1 311.514 2.591 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000616996512 399559353 /nfs/dbraw/zinc/55/93/53/399559353.db2.gz JQLYCVIMXQIBOK-MRXNPFEDSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423108284 296379321 /nfs/dbraw/zinc/37/93/21/296379321.db2.gz QVTCYCJWRHETQA-RDJZCZTQSA-N 2 1 311.429 2.748 20 0 DFADMP CCC[N@@H+](C)[C@@H](CN[C@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111774 296379641 /nfs/dbraw/zinc/37/96/41/296379641.db2.gz WNNZFXHTOBZMNC-DYVFJYSZSA-N 2 1 309.885 2.920 20 0 DFADMP CSc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423112430 296379749 /nfs/dbraw/zinc/37/97/49/296379749.db2.gz XPAUGSCUSPKZJK-CWRNSKLLSA-N 2 1 324.465 2.794 20 0 DFADMP C[C@@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423126114 296381464 /nfs/dbraw/zinc/38/14/64/296381464.db2.gz ARKVAGXRGVFYBX-KNJMJIDISA-N 2 1 314.473 2.927 20 0 DFADMP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)c1c[nH+]ccc1N ZINC000423122783 296381040 /nfs/dbraw/zinc/38/10/40/296381040.db2.gz CYUHIXHPCASKKA-SNVBAGLBSA-N 2 1 310.323 2.801 20 0 DFADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423131795 296382149 /nfs/dbraw/zinc/38/21/49/296382149.db2.gz OKDSSWGUTVIZLU-RYQLBKOJSA-N 2 1 317.477 2.622 20 0 DFADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423131793 296382169 /nfs/dbraw/zinc/38/21/69/296382169.db2.gz OKDSSWGUTVIZLU-CGTJXYLNSA-N 2 1 317.477 2.622 20 0 DFADMP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423124206 296381622 /nfs/dbraw/zinc/38/16/22/296381622.db2.gz MGJPGAUXTKCUCB-ISARSNTHSA-N 2 1 302.462 2.868 20 0 DFADMP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1c[nH+]ccc1N ZINC000423133570 296382742 /nfs/dbraw/zinc/38/27/42/296382742.db2.gz KYHORMLZMDLHET-SNVBAGLBSA-N 2 1 310.323 2.801 20 0 DFADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423134021 296382790 /nfs/dbraw/zinc/38/27/90/296382790.db2.gz RGBIHQQXFIAMGH-WSIUPNEHSA-N 2 1 318.436 2.818 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000423137405 296383170 /nfs/dbraw/zinc/38/31/70/296383170.db2.gz WLKVQLKAZDRPKQ-UONOGXRCSA-N 2 1 302.447 2.938 20 0 DFADMP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423138592 296383304 /nfs/dbraw/zinc/38/33/04/296383304.db2.gz YBQCERWYVUKDMS-QXAKKESOSA-N 2 1 318.436 2.950 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000423142923 296384156 /nfs/dbraw/zinc/38/41/56/296384156.db2.gz BQMWPMPDLUZPKV-QGTPRVQTSA-N 2 1 321.534 2.989 20 0 DFADMP CC[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]1 ZINC000423137858 296383438 /nfs/dbraw/zinc/38/34/38/296383438.db2.gz XBRAZUVGFOHKME-OLZOCXBDSA-N 2 1 301.356 2.763 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000158503011 197279539 /nfs/dbraw/zinc/27/95/39/197279539.db2.gz NWVQSBCVXMVCPK-QGZVFWFLSA-N 2 1 312.461 2.916 20 0 DFADMP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423142838 296384371 /nfs/dbraw/zinc/38/43/71/296384371.db2.gz BJNINGPUOMEINR-KANFNMMFSA-N 2 1 318.436 2.950 20 0 DFADMP C=Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423143076 296384425 /nfs/dbraw/zinc/38/44/25/296384425.db2.gz WHMPUHAZPPXLFE-GUDVDZBRSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423144658 296384461 /nfs/dbraw/zinc/38/44/61/296384461.db2.gz HPXWLDBHCBVAFC-QMCVQRASSA-N 2 1 318.486 2.623 20 0 DFADMP FCC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCOCC1 ZINC000423153404 296385868 /nfs/dbraw/zinc/38/58/68/296385868.db2.gz NIYKDORFAOVPEQ-DLBZAZTESA-N 2 1 306.425 2.836 20 0 DFADMP Cc1nc(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])sc1Br ZINC000423162888 296386874 /nfs/dbraw/zinc/38/68/74/296386874.db2.gz URIMHUZDLULDOW-ZJUUUORDSA-N 2 1 318.284 2.821 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423177793 296388613 /nfs/dbraw/zinc/38/86/13/296388613.db2.gz JMSLGAIGVJAQPC-CQSZACIVSA-N 2 1 303.450 2.701 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423180059 296388882 /nfs/dbraw/zinc/38/88/82/296388882.db2.gz NIYXOBFZCCRBNU-MRXNPFEDSA-N 3 1 319.493 2.939 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000347771118 285166450 /nfs/dbraw/zinc/16/64/50/285166450.db2.gz BVDBTJIKFLJLMN-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000347771118 285166452 /nfs/dbraw/zinc/16/64/52/285166452.db2.gz BVDBTJIKFLJLMN-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000347771118 285166454 /nfs/dbraw/zinc/16/64/54/285166454.db2.gz BVDBTJIKFLJLMN-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000347771118 285166458 /nfs/dbraw/zinc/16/64/58/285166458.db2.gz BVDBTJIKFLJLMN-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423188314 296390148 /nfs/dbraw/zinc/39/01/48/296390148.db2.gz LODFVJHFLRMHNH-YSTOQKLRSA-N 3 1 313.489 2.771 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C[C@H]1OC ZINC000423186597 296390242 /nfs/dbraw/zinc/39/02/42/296390242.db2.gz LDBQTNAWHJVCDD-IAGOWNOFSA-N 2 1 305.466 2.745 20 0 DFADMP Fc1cc(Br)cc2c1CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423192527 296390457 /nfs/dbraw/zinc/39/04/57/296390457.db2.gz VSJFTTVXLYRNNV-AWEZNQCLSA-N 2 1 313.214 2.917 20 0 DFADMP CCN(C#N)CC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000602797008 399578278 /nfs/dbraw/zinc/57/82/78/399578278.db2.gz GZIRLHTVJWVGOM-UHFFFAOYSA-N 2 1 306.498 2.623 20 0 DFADMP Brc1cccc2c1C[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000423196747 296391108 /nfs/dbraw/zinc/39/11/08/296391108.db2.gz WBXVDWMMOMGONY-QWHCGFSZSA-N 2 1 309.251 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423218699 296393702 /nfs/dbraw/zinc/39/37/02/296393702.db2.gz VTNYRONADBZYHB-VXGBXAGGSA-N 2 1 306.841 2.877 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000423218156 296393789 /nfs/dbraw/zinc/39/37/89/296393789.db2.gz VDRVFPICLOCKJL-MJGOQNOKSA-N 3 1 315.505 2.671 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000347800317 285180966 /nfs/dbraw/zinc/18/09/66/285180966.db2.gz LJGKDBLDYBCDAN-APWZRJJASA-N 2 1 317.477 2.616 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232283 296395068 /nfs/dbraw/zinc/39/50/68/296395068.db2.gz IBPIQBFNAKMBRO-GWCFXTLKSA-N 2 1 315.230 2.861 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000423221667 296394114 /nfs/dbraw/zinc/39/41/14/296394114.db2.gz XNKLBJSJMYJUCO-KANFNMMFSA-N 3 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000423221667 296394115 /nfs/dbraw/zinc/39/41/15/296394115.db2.gz XNKLBJSJMYJUCO-KANFNMMFSA-N 3 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156943091 197151932 /nfs/dbraw/zinc/15/19/32/197151932.db2.gz HDVCFTCWGBJLKN-YCPHGPKFSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156943091 197151934 /nfs/dbraw/zinc/15/19/34/197151934.db2.gz HDVCFTCWGBJLKN-YCPHGPKFSA-N 2 1 317.433 2.777 20 0 DFADMP CCCCCOc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388695 399590949 /nfs/dbraw/zinc/59/09/49/399590949.db2.gz VYSXDECSAKALEK-UHFFFAOYSA-N 2 1 306.450 2.853 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423262806 296398207 /nfs/dbraw/zinc/39/82/07/296398207.db2.gz NMBDSDMIFOOKJR-GUYCJALGSA-N 2 1 318.465 2.995 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423271284 296399163 /nfs/dbraw/zinc/39/91/63/296399163.db2.gz IVQRBBDFFLJBIO-OLZOCXBDSA-N 2 1 304.413 2.826 20 0 DFADMP CC(C)C[C@H](C[NH3+])N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423271564 296399230 /nfs/dbraw/zinc/39/92/30/296399230.db2.gz YACNVWXVPXISIF-BHIYHBOVSA-N 2 1 303.494 2.860 20 0 DFADMP CC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000156562297 197123889 /nfs/dbraw/zinc/12/38/89/197123889.db2.gz VTZVEAVGPPRMNG-WMZOPIPTSA-N 2 1 319.493 2.762 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000156562297 197123891 /nfs/dbraw/zinc/12/38/91/197123891.db2.gz VTZVEAVGPPRMNG-WMZOPIPTSA-N 2 1 319.493 2.762 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000423288642 296401250 /nfs/dbraw/zinc/40/12/50/296401250.db2.gz UCFAZVXGRDIASX-CQSZACIVSA-N 2 1 303.450 2.982 20 0 DFADMP Clc1cc(Br)cc2c1CC[C@H]2[NH2+]CC1C[NH2+]C1 ZINC000423303686 296402303 /nfs/dbraw/zinc/40/23/03/296402303.db2.gz MMXWWNKAXIDPNY-CYBMUJFWSA-N 2 1 315.642 2.899 20 0 DFADMP Fc1cc(Br)ccc1[C@@H]([NH2+]CC1C[NH2+]C1)C1CC1 ZINC000423318999 296403595 /nfs/dbraw/zinc/40/35/95/296403595.db2.gz LINRBISVJNMCLR-AWEZNQCLSA-N 2 1 313.214 2.848 20 0 DFADMP C[C@H](CC[NH2+][C@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000156210491 197095179 /nfs/dbraw/zinc/09/51/79/197095179.db2.gz HRMFRTPEYOFNQD-HZPDHXFCSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@H](CC[NH2+][C@H](C)c1cnn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000156210491 197095180 /nfs/dbraw/zinc/09/51/80/197095180.db2.gz HRMFRTPEYOFNQD-HZPDHXFCSA-N 2 1 300.450 2.981 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000423320296 296404135 /nfs/dbraw/zinc/40/41/35/296404135.db2.gz DKYDFDOEDPHWKC-ZOCIIQOWSA-N 2 1 318.461 2.545 20 0 DFADMP CCc1ccc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)cn1 ZINC000347858694 285212293 /nfs/dbraw/zinc/21/22/93/285212293.db2.gz GXWMNNJEKVAVFS-GOSISDBHSA-N 2 1 305.466 2.577 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1C ZINC000347877542 285220717 /nfs/dbraw/zinc/22/07/17/285220717.db2.gz ZGBMQQHAYOBTCR-ZFWWWQNUSA-N 2 1 322.449 2.714 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1C ZINC000347877542 285220722 /nfs/dbraw/zinc/22/07/22/285220722.db2.gz ZGBMQQHAYOBTCR-ZFWWWQNUSA-N 2 1 322.449 2.714 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1C ZINC000347877542 285220726 /nfs/dbraw/zinc/22/07/26/285220726.db2.gz ZGBMQQHAYOBTCR-ZFWWWQNUSA-N 2 1 322.449 2.714 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1C ZINC000347877542 285220730 /nfs/dbraw/zinc/22/07/30/285220730.db2.gz ZGBMQQHAYOBTCR-ZFWWWQNUSA-N 2 1 322.449 2.714 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000423350550 296407453 /nfs/dbraw/zinc/40/74/53/296407453.db2.gz XTRBVXOHNOVBOH-WDEREUQCSA-N 2 1 313.239 2.718 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(N2CCCC2=O)c1 ZINC000423356044 296407838 /nfs/dbraw/zinc/40/78/38/296407838.db2.gz GKRBAQGPNDSHTC-GOEBONIOSA-N 2 1 301.434 2.606 20 0 DFADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000155120483 197024659 /nfs/dbraw/zinc/02/46/59/197024659.db2.gz WOOJREXWUWKEOS-GJZGRUSLSA-N 2 1 301.434 2.719 20 0 DFADMP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000367997819 285239632 /nfs/dbraw/zinc/23/96/32/285239632.db2.gz GLLMHZUEEBKOLF-IPMKNSEASA-N 2 1 314.473 2.792 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000178522612 285245455 /nfs/dbraw/zinc/24/54/55/285245455.db2.gz GQFZSYWFPALQQY-KRWDZBQOSA-N 2 1 308.853 2.764 20 0 DFADMP CCOC(=O)[C@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877662 399612156 /nfs/dbraw/zinc/61/21/56/399612156.db2.gz IVQTYTHQIIMWLZ-KRWDZBQOSA-N 2 1 316.445 2.709 20 0 DFADMP CCOC(=O)[C@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877662 399612159 /nfs/dbraw/zinc/61/21/59/399612159.db2.gz IVQTYTHQIIMWLZ-KRWDZBQOSA-N 2 1 316.445 2.709 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)s1 ZINC000602878519 399612270 /nfs/dbraw/zinc/61/22/70/399612270.db2.gz XXKKRBDODOGGFW-UHFFFAOYSA-N 2 1 322.474 2.761 20 0 DFADMP CC1(C)C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cc(Br)ccc21 ZINC000423434524 296416315 /nfs/dbraw/zinc/41/63/15/296416315.db2.gz OCAWDTYSCWIONU-OSRDXIQISA-N 2 1 321.262 2.979 20 0 DFADMP CCCCN(CC)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928908 285251865 /nfs/dbraw/zinc/25/18/65/285251865.db2.gz JLKSWAHQMDVLDQ-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCCN(CC)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347928908 285251869 /nfs/dbraw/zinc/25/18/69/285251869.db2.gz JLKSWAHQMDVLDQ-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(Br)c21 ZINC000423455753 296417790 /nfs/dbraw/zinc/41/77/90/296417790.db2.gz MVZWLXAPXSJOLJ-DBIGVJDZSA-N 2 1 307.235 2.805 20 0 DFADMP Cc1cc(C)n(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347935601 285256299 /nfs/dbraw/zinc/25/62/99/285256299.db2.gz PZCVSDICIFBNAV-SJORKVTESA-N 2 1 304.482 2.743 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878811 399613984 /nfs/dbraw/zinc/61/39/84/399613984.db2.gz YTXUIWISHNVXDF-UHFFFAOYSA-N 2 1 320.433 2.546 20 0 DFADMP C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934557 285255202 /nfs/dbraw/zinc/25/52/02/285255202.db2.gz OYBWJHCPOCUKIY-IXDOHACOSA-N 2 1 321.509 2.630 20 0 DFADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C2CC2)c1 ZINC000423470060 296419193 /nfs/dbraw/zinc/41/91/93/296419193.db2.gz GILIMMVXLMIHGS-WBVHZDCISA-N 2 1 324.415 2.851 20 0 DFADMP Cc1noc(CCC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347943313 285261325 /nfs/dbraw/zinc/26/13/25/285261325.db2.gz WQLQFPIDOXRAOI-DZGCQCFKSA-N 2 1 306.454 2.553 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423529169 296426618 /nfs/dbraw/zinc/42/66/18/296426618.db2.gz OBXWMHRPKMDSPQ-QZTJIDSGSA-N 2 1 308.441 2.880 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624259648 399618992 /nfs/dbraw/zinc/61/89/92/399618992.db2.gz SDAXIEUHMNEYIQ-QAPCUYQASA-N 2 1 311.429 2.787 20 0 DFADMP Cc1cc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C2CC2)ccc1F ZINC000289482228 221007514 /nfs/dbraw/zinc/00/75/14/221007514.db2.gz IOAQWYZLQKEAJO-AEFFLSMTSA-N 2 1 306.425 2.630 20 0 DFADMP Cc1cc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C2CC2)ccc1F ZINC000289482228 221007516 /nfs/dbraw/zinc/00/75/16/221007516.db2.gz IOAQWYZLQKEAJO-AEFFLSMTSA-N 2 1 306.425 2.630 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1 ZINC000289475604 221001362 /nfs/dbraw/zinc/00/13/62/221001362.db2.gz XLLKCUXUOJIUCV-SJORKVTESA-N 2 1 320.387 2.505 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(O)c(OC)c1 ZINC000289521762 221039225 /nfs/dbraw/zinc/03/92/25/221039225.db2.gz VLJAEELPNZVBJO-UHFFFAOYSA-N 2 1 322.449 2.717 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc(OC)c(O)c(OC)c1 ZINC000289521762 221039227 /nfs/dbraw/zinc/03/92/27/221039227.db2.gz VLJAEELPNZVBJO-UHFFFAOYSA-N 2 1 322.449 2.717 20 0 DFADMP CO[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624299040 399630671 /nfs/dbraw/zinc/63/06/71/399630671.db2.gz CEMRYQAETAUMDG-YCEIQTCASA-N 2 1 300.446 2.949 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289734318 221188088 /nfs/dbraw/zinc/18/80/88/221188088.db2.gz HTSOCIXVOYRNPU-SUMWQHHRSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289734318 221188092 /nfs/dbraw/zinc/18/80/92/221188092.db2.gz HTSOCIXVOYRNPU-SUMWQHHRSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289734318 221188094 /nfs/dbraw/zinc/18/80/94/221188094.db2.gz HTSOCIXVOYRNPU-SUMWQHHRSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289734318 221188097 /nfs/dbraw/zinc/18/80/97/221188097.db2.gz HTSOCIXVOYRNPU-SUMWQHHRSA-N 2 1 310.869 2.658 20 0 DFADMP Cc1cnccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000294882939 224284077 /nfs/dbraw/zinc/28/40/77/224284077.db2.gz QXDVPGMDNDFNQI-CALCHBBNSA-N 2 1 317.477 2.711 20 0 DFADMP C[C@H](CCCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000294917729 224309328 /nfs/dbraw/zinc/30/93/28/224309328.db2.gz YLIIQAKDGDWNDL-QGZVFWFLSA-N 2 1 304.478 2.692 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000629526010 399636871 /nfs/dbraw/zinc/63/68/71/399636871.db2.gz IPKVTNVEGYHWRE-XGXHKWSGSA-N 2 1 301.478 2.627 20 0 DFADMP Brc1cnccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533234 399637720 /nfs/dbraw/zinc/63/77/20/399637720.db2.gz OMFWLDQZKRQPNW-QWHCGFSZSA-N 2 1 324.266 2.666 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCc2cn[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000289971361 221352281 /nfs/dbraw/zinc/35/22/81/221352281.db2.gz JDLZRKZQDUXMME-LPHOPBHVSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCc2cn[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000289971361 221352282 /nfs/dbraw/zinc/35/22/82/221352282.db2.gz JDLZRKZQDUXMME-LPHOPBHVSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCc2cn[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000289971361 221352285 /nfs/dbraw/zinc/35/22/85/221352285.db2.gz JDLZRKZQDUXMME-LPHOPBHVSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2cn[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000289971361 221352290 /nfs/dbraw/zinc/35/22/90/221352290.db2.gz JDLZRKZQDUXMME-LPHOPBHVSA-N 2 1 312.461 2.937 20 0 DFADMP COc1cccc(C2(C[NH2+]Cc3c[nH+]ccc3N(C)C)CC2)c1 ZINC000290013649 221380655 /nfs/dbraw/zinc/38/06/55/221380655.db2.gz YZZJJJDKSHOWNZ-UHFFFAOYSA-N 2 1 311.429 2.978 20 0 DFADMP CC[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000629545477 399642489 /nfs/dbraw/zinc/64/24/89/399642489.db2.gz HQHYICOHSHIDON-HZPDHXFCSA-N 2 1 319.840 2.707 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629542897 399641702 /nfs/dbraw/zinc/64/17/02/399641702.db2.gz OPQVZAHRVPJKLB-FQLMCAECSA-N 2 1 306.450 2.926 20 0 DFADMP COc1cccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1OC(C)C ZINC000624357709 399653395 /nfs/dbraw/zinc/65/33/95/399653395.db2.gz CHVCAAMNXDHZRC-HNNXBMFYSA-N 2 1 315.417 2.784 20 0 DFADMP C[N@@H+](CCOCC[NH3+])CCSc1cc(Cl)ccc1Cl ZINC000629574657 399653559 /nfs/dbraw/zinc/65/35/59/399653559.db2.gz JPXXBFDVEHMNTC-UHFFFAOYSA-N 2 1 323.289 2.993 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000629596873 399659698 /nfs/dbraw/zinc/65/96/98/399659698.db2.gz BGPJWSABWFARNO-IEBWSBKVSA-N 2 1 302.462 2.815 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000629596873 399659705 /nfs/dbraw/zinc/65/97/05/399659705.db2.gz BGPJWSABWFARNO-IEBWSBKVSA-N 2 1 302.462 2.815 20 0 DFADMP CCc1ccc([C@@H](CC)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000629549217 399643853 /nfs/dbraw/zinc/64/38/53/399643853.db2.gz SUYDZMMETWEKSX-ZWKOTPCHSA-N 2 1 313.449 2.616 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000629568403 399651856 /nfs/dbraw/zinc/65/18/56/399651856.db2.gz UZYWOUYGMLSQSO-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ncc(-c2ccc(Cl)cc2)o1 ZINC000629568403 399651861 /nfs/dbraw/zinc/65/18/61/399651861.db2.gz UZYWOUYGMLSQSO-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)CCOc1ccc(Cl)cc1Cl ZINC000629567040 399652316 /nfs/dbraw/zinc/65/23/16/399652316.db2.gz MQFRABBDULIRIW-UHFFFAOYSA-N 2 1 321.248 2.540 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)CCSc1cccc(Cl)c1 ZINC000629572481 399652437 /nfs/dbraw/zinc/65/24/37/399652437.db2.gz UNSNJQNHIKRAQB-UHFFFAOYSA-N 2 1 302.871 2.600 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C ZINC000629656797 399678173 /nfs/dbraw/zinc/67/81/73/399678173.db2.gz QYAMAOWBDJOFHJ-KBPBESRZSA-N 2 1 316.367 2.963 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C ZINC000629656797 399678178 /nfs/dbraw/zinc/67/81/78/399678178.db2.gz QYAMAOWBDJOFHJ-KBPBESRZSA-N 2 1 316.367 2.963 20 0 DFADMP Cc1ccc(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629657023 399678947 /nfs/dbraw/zinc/67/89/47/399678947.db2.gz SSPABLJGQUCXHC-GJZGRUSLSA-N 3 1 315.383 2.782 20 0 DFADMP Cc1ccc(CCCN2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629657023 399678953 /nfs/dbraw/zinc/67/89/53/399678953.db2.gz SSPABLJGQUCXHC-GJZGRUSLSA-N 3 1 315.383 2.782 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000632517544 399682318 /nfs/dbraw/zinc/68/23/18/399682318.db2.gz MMPDROXXLJFHOJ-BZZMCLGOSA-N 2 1 317.477 2.524 20 0 DFADMP COc1ccc2oc(C[N@@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2c1 ZINC000629668141 399683781 /nfs/dbraw/zinc/68/37/81/399683781.db2.gz XLGFWIUDDKWTRY-HDICACEKSA-N 2 1 300.402 2.873 20 0 DFADMP COc1ccc2oc(C[N@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2c1 ZINC000629668141 399683782 /nfs/dbraw/zinc/68/37/82/399683782.db2.gz XLGFWIUDDKWTRY-HDICACEKSA-N 2 1 300.402 2.873 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000629668593 399683829 /nfs/dbraw/zinc/68/38/29/399683829.db2.gz YAUKXBAMDFVGPX-KDURUIRLSA-N 2 1 324.428 2.700 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000629668593 399683832 /nfs/dbraw/zinc/68/38/32/399683832.db2.gz YAUKXBAMDFVGPX-KDURUIRLSA-N 2 1 324.428 2.700 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000629735043 399707662 /nfs/dbraw/zinc/70/76/62/399707662.db2.gz FSFRQOZNPLUULH-UHFFFAOYSA-N 2 1 321.468 2.747 20 0 DFADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)C3([NH+](C)C)CC3)c2C1 ZINC000612712247 399710562 /nfs/dbraw/zinc/71/05/62/399710562.db2.gz OEELWUCKLFKXGF-UHFFFAOYSA-N 2 1 301.434 2.691 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C3([NH+](C)C)CC3)c2C1 ZINC000612712247 399710566 /nfs/dbraw/zinc/71/05/66/399710566.db2.gz OEELWUCKLFKXGF-UHFFFAOYSA-N 2 1 301.434 2.691 20 0 DFADMP C[NH+](C)C(C)(C)CN[C@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167809 542534518 /nfs/dbraw/zinc/53/45/18/542534518.db2.gz HKLUDJISYMEITG-QGZVFWFLSA-N 2 1 303.494 2.969 20 0 DFADMP C[NH+](C)C(C)(C)CN[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167809 542534522 /nfs/dbraw/zinc/53/45/22/542534522.db2.gz HKLUDJISYMEITG-QGZVFWFLSA-N 2 1 303.494 2.969 20 0 DFADMP C[N@H+]1CCC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185492 542534934 /nfs/dbraw/zinc/53/49/34/542534934.db2.gz MKQQWBVSTOPETB-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185492 542534939 /nfs/dbraw/zinc/53/49/39/542534939.db2.gz MKQQWBVSTOPETB-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185492 542534944 /nfs/dbraw/zinc/53/49/44/542534944.db2.gz MKQQWBVSTOPETB-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185492 542534949 /nfs/dbraw/zinc/53/49/49/542534949.db2.gz MKQQWBVSTOPETB-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090185492 542534952 /nfs/dbraw/zinc/53/49/52/542534952.db2.gz MKQQWBVSTOPETB-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000090405912 542535643 /nfs/dbraw/zinc/53/56/43/542535643.db2.gz CYYUKFPANFZEOF-HZSPNIEDSA-N 2 1 311.495 2.992 20 0 DFADMP CC[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1CCCO1 ZINC000092406909 542546976 /nfs/dbraw/zinc/54/69/76/542546976.db2.gz ZOJWWBKMVSXZLL-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2nc3c(s2)CCC3)C[C@H](C)O1 ZINC000093066166 542551277 /nfs/dbraw/zinc/55/12/77/542551277.db2.gz COGANLHVGMXQTM-OKILXGFUSA-N 2 1 323.506 2.611 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](C)c1ccccc1 ZINC000617503606 399719897 /nfs/dbraw/zinc/71/98/97/399719897.db2.gz QLTHIZGYTJOIIF-IRXDYDNUSA-N 2 1 319.493 2.568 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H](C)c1ccccc1 ZINC000617503606 399719900 /nfs/dbraw/zinc/71/99/00/399719900.db2.gz QLTHIZGYTJOIIF-IRXDYDNUSA-N 2 1 319.493 2.568 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1CCCCCC1 ZINC000617505852 399720237 /nfs/dbraw/zinc/72/02/37/399720237.db2.gz SIRPZJJDXYGOGD-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1CCCCCC1 ZINC000617505852 399720243 /nfs/dbraw/zinc/72/02/43/399720243.db2.gz SIRPZJJDXYGOGD-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CCC(C2CC2)CC1 ZINC000617503393 399720576 /nfs/dbraw/zinc/72/05/76/399720576.db2.gz HHCXGLPMEBCMFK-ZLPCBKJTSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CCC(C2CC2)CC1 ZINC000617503393 399720581 /nfs/dbraw/zinc/72/05/81/399720581.db2.gz HHCXGLPMEBCMFK-ZLPCBKJTSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1=CCC(C)(C)CC1 ZINC000617503277 399720867 /nfs/dbraw/zinc/72/08/67/399720867.db2.gz CIAATZMJLPHJKZ-HNNXBMFYSA-N 2 1 309.498 2.511 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1=CCC(C)(C)CC1 ZINC000617503277 399720869 /nfs/dbraw/zinc/72/08/69/399720869.db2.gz CIAATZMJLPHJKZ-HNNXBMFYSA-N 2 1 309.498 2.511 20 0 DFADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000617551019 399731633 /nfs/dbraw/zinc/73/16/33/399731633.db2.gz JHTODDDJDGMYRJ-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000249128956 285353542 /nfs/dbraw/zinc/35/35/42/285353542.db2.gz UQRPKKHJUQYTDG-NZSAHSFTSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000249128956 285353543 /nfs/dbraw/zinc/35/35/43/285353543.db2.gz UQRPKKHJUQYTDG-NZSAHSFTSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000249128956 285353545 /nfs/dbraw/zinc/35/35/45/285353545.db2.gz UQRPKKHJUQYTDG-NZSAHSFTSA-N 2 1 306.494 2.876 20 0 DFADMP CC[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000348104014 285351991 /nfs/dbraw/zinc/35/19/91/285351991.db2.gz NHYRUNKAVAAACL-RBUKOAKNSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@@H]([NH2+]Cc1ncccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348108362 285354573 /nfs/dbraw/zinc/35/45/73/285354573.db2.gz CGXXSTONCWHDOV-WBVHZDCISA-N 2 1 311.429 2.787 20 0 DFADMP C[C@@H]([NH2+]Cc1ncccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348108362 285354575 /nfs/dbraw/zinc/35/45/75/285354575.db2.gz CGXXSTONCWHDOV-WBVHZDCISA-N 2 1 311.429 2.787 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CC[NH+](C)C1 ZINC000121049927 195287996 /nfs/dbraw/zinc/28/79/96/195287996.db2.gz YCEQYTFZPATOOP-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CC[N@H+](C)C1 ZINC000121049927 195287997 /nfs/dbraw/zinc/28/79/97/195287997.db2.gz YCEQYTFZPATOOP-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000121049927 195287999 /nfs/dbraw/zinc/28/79/99/195287999.db2.gz YCEQYTFZPATOOP-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP CCOc1cccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)n1 ZINC000121781371 195345518 /nfs/dbraw/zinc/34/55/18/195345518.db2.gz NIFXINAKCVNGMD-UHFFFAOYSA-N 2 1 314.433 2.669 20 0 DFADMP C1=CC[C@@H](C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000122818593 195505409 /nfs/dbraw/zinc/50/54/09/195505409.db2.gz XTGSWIQMDWCEPJ-QGZVFWFLSA-N 2 1 300.446 2.965 20 0 DFADMP CC[N@@H+](CCOC[C@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062540 399741352 /nfs/dbraw/zinc/74/13/52/399741352.db2.gz WFMXIPVTTOOBMC-LJQANCHMSA-N 2 1 320.477 2.766 20 0 DFADMP CC[N@@H+](CCCc1cncn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063517 399742514 /nfs/dbraw/zinc/74/25/14/399742514.db2.gz GYLYNGCGKDOPNI-UHFFFAOYSA-N 2 1 314.477 2.936 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063517 399742517 /nfs/dbraw/zinc/74/25/17/399742517.db2.gz GYLYNGCGKDOPNI-UHFFFAOYSA-N 3 1 314.477 2.936 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063517 399742521 /nfs/dbraw/zinc/74/25/21/399742521.db2.gz GYLYNGCGKDOPNI-UHFFFAOYSA-N 3 1 314.477 2.936 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000603320422 399744110 /nfs/dbraw/zinc/74/41/10/399744110.db2.gz IMJMEHPFHLGGGC-QAPCUYQASA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000124461755 542597913 /nfs/dbraw/zinc/59/79/13/542597913.db2.gz JNJRCGHPWSYUCW-IBGZPJMESA-N 2 1 319.468 2.676 20 0 DFADMP C[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)C1CCC1 ZINC000629946206 399762722 /nfs/dbraw/zinc/76/27/22/399762722.db2.gz ZREJVHULNKQACW-UHFFFAOYSA-N 2 1 301.434 2.705 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000423936899 296468042 /nfs/dbraw/zinc/46/80/42/296468042.db2.gz DLYZQFRQGWMYMG-HZPDHXFCSA-N 2 1 323.868 2.576 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000154502535 542689509 /nfs/dbraw/zinc/68/95/09/542689509.db2.gz BZPJVVSNJXXFLJ-LJQANCHMSA-N 2 1 319.468 2.820 20 0 DFADMP CCOc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000603517337 399786329 /nfs/dbraw/zinc/78/63/29/399786329.db2.gz PSCVVRZMGLENRE-IBGZPJMESA-N 2 1 318.461 2.818 20 0 DFADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163854139 132124081 /nfs/dbraw/zinc/12/40/81/132124081.db2.gz YORMAUJECLOFEQ-STQMWFEESA-N 2 1 309.841 2.585 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(F)c(Cl)c2)CC1 ZINC000164343107 132146322 /nfs/dbraw/zinc/14/63/22/132146322.db2.gz GJRPRRJQPWOMGA-UHFFFAOYSA-N 2 1 300.805 2.809 20 0 DFADMP CC(C)[C@@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000166139054 542749344 /nfs/dbraw/zinc/74/93/44/542749344.db2.gz MLSCMVWWBVZJAD-IPMKNSEASA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000167541278 542753710 /nfs/dbraw/zinc/75/37/10/542753710.db2.gz LWFQCDFMOTZHNJ-FUHWJXTLSA-N 2 1 317.477 2.544 20 0 DFADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180426181 542784590 /nfs/dbraw/zinc/78/45/90/542784590.db2.gz UFOWLARRHSKYIA-CRAIPNDOSA-N 2 1 312.461 2.933 20 0 DFADMP Cc1n[nH]cc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000180426181 542784593 /nfs/dbraw/zinc/78/45/93/542784593.db2.gz UFOWLARRHSKYIA-CRAIPNDOSA-N 2 1 312.461 2.933 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(CC)[nH+]c(C)n2)[C@@H](C)C1 ZINC000180436995 542784682 /nfs/dbraw/zinc/78/46/82/542784682.db2.gz YKPAGCRXUGBGLT-WMLDXEAASA-N 2 1 320.481 2.896 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](Nc2cc(CC)[nH+]c(C)n2)[C@@H](C)C1 ZINC000180436995 542784686 /nfs/dbraw/zinc/78/46/86/542784686.db2.gz YKPAGCRXUGBGLT-WMLDXEAASA-N 2 1 320.481 2.896 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178702643 542777705 /nfs/dbraw/zinc/77/77/05/542777705.db2.gz LWPNBCSLJCJDOM-OKHZJLECSA-N 2 1 319.474 2.916 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1)C(C)C ZINC000236994967 542899435 /nfs/dbraw/zinc/89/94/35/542899435.db2.gz JIZGPQLHRKSIIQ-SFHVURJKSA-N 2 1 317.477 2.789 20 0 DFADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C2CC2)c1 ZINC000245560292 542916060 /nfs/dbraw/zinc/91/60/60/542916060.db2.gz UNIQIDBHUMLDEA-QFBILLFUSA-N 2 1 302.462 2.948 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268938312 542961580 /nfs/dbraw/zinc/96/15/80/542961580.db2.gz SJQLKUSBJAEBMX-YYTXDEJISA-N 2 1 300.446 2.807 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268938312 542961585 /nfs/dbraw/zinc/96/15/85/542961585.db2.gz SJQLKUSBJAEBMX-YYTXDEJISA-N 2 1 300.446 2.807 20 0 DFADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309794246 543065842 /nfs/dbraw/zinc/06/58/42/543065842.db2.gz POMUQQPIPJLNTM-PXNSSMCTSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309794246 543065845 /nfs/dbraw/zinc/06/58/45/543065845.db2.gz POMUQQPIPJLNTM-PXNSSMCTSA-N 2 1 315.505 2.828 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000321961853 543087326 /nfs/dbraw/zinc/08/73/26/543087326.db2.gz YTNQQJHGNUYUAS-WMZOPIPTSA-N 2 1 317.477 2.513 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000321961853 543087328 /nfs/dbraw/zinc/08/73/28/543087328.db2.gz YTNQQJHGNUYUAS-WMZOPIPTSA-N 2 1 317.477 2.513 20 0 DFADMP Cc1nc(C[N@@H+]2CCCN(c3cccc(C)n3)CC2)oc1C ZINC000681208521 545611393 /nfs/dbraw/zinc/61/13/93/545611393.db2.gz AYGODLCVIHNWII-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP Cc1nc(C[N@H+]2CCCN(c3cccc(C)n3)CC2)oc1C ZINC000681208521 545611395 /nfs/dbraw/zinc/61/13/95/545611395.db2.gz AYGODLCVIHNWII-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP CC(C)CN(C(=O)CC[N@H+]1CCCC[C@H]1C)C1CC[NH+](C)CC1 ZINC000339272523 543142656 /nfs/dbraw/zinc/14/26/56/543142656.db2.gz DTORIVHKEZNBDP-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000339280676 543143247 /nfs/dbraw/zinc/14/32/47/543143247.db2.gz GYOZVJXJINZGLY-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000339280676 543143251 /nfs/dbraw/zinc/14/32/51/543143251.db2.gz GYOZVJXJINZGLY-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000339280676 543143254 /nfs/dbraw/zinc/14/32/54/543143254.db2.gz GYOZVJXJINZGLY-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP COCC[C@@H](C)[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338634581 543137412 /nfs/dbraw/zinc/13/74/12/543137412.db2.gz XXMDIQSTUVONJA-HUUCEWRRSA-N 2 1 323.506 2.854 20 0 DFADMP COCC[C@@H](C)[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338634581 543137417 /nfs/dbraw/zinc/13/74/17/543137417.db2.gz XXMDIQSTUVONJA-HUUCEWRRSA-N 2 1 323.506 2.854 20 0 DFADMP C(C1CCCC1)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066925 543139380 /nfs/dbraw/zinc/13/93/80/543139380.db2.gz JOLNBSKFBSPZFI-OALUTQOASA-N 2 1 305.510 2.857 20 0 DFADMP C(C1CCCC1)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066924 543139507 /nfs/dbraw/zinc/13/95/07/543139507.db2.gz JOLNBSKFBSPZFI-MOPGFXCFSA-N 2 1 305.510 2.857 20 0 DFADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339074056 543139652 /nfs/dbraw/zinc/13/96/52/543139652.db2.gz IJOPBUUXKSAXEA-HOTGVXAUSA-N 2 1 304.434 2.681 20 0 DFADMP c1sc(N2CCCC2)nc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067779 543139856 /nfs/dbraw/zinc/13/98/56/543139856.db2.gz HWWUUINHZCMLOK-ZBFHGGJFSA-N 2 1 320.506 2.502 20 0 DFADMP CC[NH+](C[C@@H]1CCCO1)[C@@H](C)CC[N@H+](CC)C[C@@H]1CCCO1 ZINC000343606515 543168065 /nfs/dbraw/zinc/16/80/65/543168065.db2.gz XLNKJEYRXOCXPH-BZSNNMDCSA-N 2 1 312.498 2.767 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000358613874 543268562 /nfs/dbraw/zinc/26/85/62/543268562.db2.gz HGAJYTRBZRFHTF-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953237 543297392 /nfs/dbraw/zinc/29/73/92/543297392.db2.gz SGQYRABOAVXFTM-MJGOQNOKSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953237 543297395 /nfs/dbraw/zinc/29/73/95/543297395.db2.gz SGQYRABOAVXFTM-MJGOQNOKSA-N 2 1 315.505 2.828 20 0 DFADMP CS[C@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000425343424 296569877 /nfs/dbraw/zinc/56/98/77/296569877.db2.gz IGTSEOORNYRCOI-HOTGVXAUSA-N 2 1 323.506 2.987 20 0 DFADMP CN(CC[C@H]1CCC[N@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000162101864 145221484 /nfs/dbraw/zinc/22/14/84/145221484.db2.gz OAQYKTSYCAFKEK-VQTJNVASSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@H]1CCC[NH+]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000162101864 145221486 /nfs/dbraw/zinc/22/14/86/145221486.db2.gz OAQYKTSYCAFKEK-VQTJNVASSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@H]1CCC[NH+]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000162101864 145221491 /nfs/dbraw/zinc/22/14/91/145221491.db2.gz OAQYKTSYCAFKEK-VQTJNVASSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000162101983 145221732 /nfs/dbraw/zinc/22/17/32/145221732.db2.gz OAQYKTSYCAFKEK-PMACEKPBSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@@H]1CCC[NH+]1C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000162101983 145221733 /nfs/dbraw/zinc/22/17/33/145221733.db2.gz OAQYKTSYCAFKEK-PMACEKPBSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@@H]1CCC[NH+]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000162101983 145221734 /nfs/dbraw/zinc/22/17/34/145221734.db2.gz OAQYKTSYCAFKEK-PMACEKPBSA-N 2 1 315.505 2.925 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000165984206 145233469 /nfs/dbraw/zinc/23/34/69/145233469.db2.gz JIIIQEOSGRVQLS-UHOSZYNNSA-N 2 1 320.477 2.711 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000165984206 145233472 /nfs/dbraw/zinc/23/34/72/145233472.db2.gz JIIIQEOSGRVQLS-UHOSZYNNSA-N 2 1 320.477 2.711 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480739 145241048 /nfs/dbraw/zinc/24/10/48/145241048.db2.gz CQXJHWSMZOMVMV-WBOJAVRRSA-N 2 1 323.431 2.862 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000171528329 145269005 /nfs/dbraw/zinc/26/90/05/145269005.db2.gz ZBWFAKHPTVXPRM-YJBOKZPZSA-N 2 1 305.441 2.599 20 0 DFADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)s1 ZINC000171933334 145283252 /nfs/dbraw/zinc/28/32/52/145283252.db2.gz UTSFNGINBRLETK-GOSISDBHSA-N 2 1 321.534 2.967 20 0 DFADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)s1 ZINC000171933334 145283255 /nfs/dbraw/zinc/28/32/55/145283255.db2.gz UTSFNGINBRLETK-GOSISDBHSA-N 2 1 321.534 2.967 20 0 DFADMP [NH3+][C@H](C[NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000414895469 543328027 /nfs/dbraw/zinc/32/80/27/543328027.db2.gz XNSACFCNPUCAFW-CQSZACIVSA-N 2 1 320.234 2.824 20 0 DFADMP CCCC[C@@H](CC)CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415103162 543328771 /nfs/dbraw/zinc/32/87/71/543328771.db2.gz CSLJEWPPRJBKDQ-WBVHZDCISA-N 2 1 307.486 2.980 20 0 DFADMP Cc1csc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)n1 ZINC000173209565 145336276 /nfs/dbraw/zinc/33/62/76/145336276.db2.gz BZCAUEDZGOGPED-HUUCEWRRSA-N 2 1 323.506 2.773 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630510733 399896669 /nfs/dbraw/zinc/89/66/69/399896669.db2.gz ZDMVXCRWBTVRDW-RHSMWYFYSA-N 2 1 323.444 2.926 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631108657 399982022 /nfs/dbraw/zinc/98/20/22/399982022.db2.gz DSAWZBZKPJCKID-QAPCUYQASA-N 2 1 311.429 2.787 20 0 DFADMP C[C@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000633943134 399963091 /nfs/dbraw/zinc/96/30/91/399963091.db2.gz CPHZAKVURRZEAO-IXDOHACOSA-N 2 1 321.509 2.725 20 0 DFADMP O=c1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)c[nH]1 ZINC000631112817 399982964 /nfs/dbraw/zinc/98/29/64/399982964.db2.gz XZWDQJSGBHFGNS-CEXWTWQISA-N 2 1 323.440 2.787 20 0 DFADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C(F)F)nc2)CC1 ZINC000631061268 399972117 /nfs/dbraw/zinc/97/21/17/399972117.db2.gz OCCQVRYWDHOCRU-UHFFFAOYSA-N 2 1 313.392 2.610 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnn1CC1CCC1 ZINC000631079696 399976226 /nfs/dbraw/zinc/97/62/26/399976226.db2.gz JYYQZCSFVJQCJX-UHFFFAOYSA-N 2 1 301.438 2.758 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000631079893 399976721 /nfs/dbraw/zinc/97/67/21/399976721.db2.gz PZVYQDNJGGHWDO-GOOCMWNKSA-N 2 1 322.424 2.948 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000631079893 399976722 /nfs/dbraw/zinc/97/67/22/399976722.db2.gz PZVYQDNJGGHWDO-GOOCMWNKSA-N 2 1 322.424 2.948 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)c3ccncc3)CC2)nc(C)[nH+]1 ZINC000178696172 145530603 /nfs/dbraw/zinc/53/06/03/145530603.db2.gz ZFASSDWZNHFRKF-CQSZACIVSA-N 2 1 311.433 2.808 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634124193 399985955 /nfs/dbraw/zinc/98/59/55/399985955.db2.gz CJRBKJPEARAGTO-OAHLLOKOSA-N 2 1 320.481 2.729 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2[nH]ccc2c1 ZINC000628191098 399999236 /nfs/dbraw/zinc/99/92/36/399999236.db2.gz ZOUJULPZFICWJE-QRQLOZEOSA-N 2 1 313.445 2.851 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc(C3CC3)o2)c1 ZINC000628205071 400001200 /nfs/dbraw/zinc/00/12/00/400001200.db2.gz YRQRLOZKBGASSF-UHFFFAOYSA-N 2 1 315.417 2.782 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631196752 400001503 /nfs/dbraw/zinc/00/15/03/400001503.db2.gz UYVNFXYFFKXYJD-ZAWLATJESA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631196649 400001512 /nfs/dbraw/zinc/00/15/12/400001512.db2.gz UYVNFXYFFKXYJD-OGWHTMIXSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@]3(C)CCCS3)C2)nc(C)[nH+]1 ZINC000628212815 400002548 /nfs/dbraw/zinc/00/25/48/400002548.db2.gz HXKACIVFQYZDTQ-WBVHZDCISA-N 2 1 320.506 2.938 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000631215977 400005813 /nfs/dbraw/zinc/00/58/13/400005813.db2.gz IMSSMJBTUHLEQD-VNQPRFMTSA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000631215977 400005815 /nfs/dbraw/zinc/00/58/15/400005815.db2.gz IMSSMJBTUHLEQD-VNQPRFMTSA-N 2 1 312.404 2.645 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496282757 300040514 /nfs/dbraw/zinc/04/05/14/300040514.db2.gz KJIDCCXPXJIZOW-SOUVJXGZSA-N 2 1 311.470 2.506 20 0 DFADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631565845 400051792 /nfs/dbraw/zinc/05/17/92/400051792.db2.gz JLVNQRYMXRVADL-GOSISDBHSA-N 2 1 318.509 2.848 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628747379 400052136 /nfs/dbraw/zinc/05/21/36/400052136.db2.gz PEHKHJCQYTVNJE-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C)ccn1 ZINC000631578139 400053797 /nfs/dbraw/zinc/05/37/97/400053797.db2.gz PBRQVJGSBZFUQY-GOSISDBHSA-N 2 1 318.509 2.848 20 0 DFADMP c1cnc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CCC2 ZINC000631580146 400054101 /nfs/dbraw/zinc/05/41/01/400054101.db2.gz DGBKMCBNHQDUCP-DNVCBOLYSA-N 2 1 315.461 2.550 20 0 DFADMP C[C@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000631579239 400054254 /nfs/dbraw/zinc/05/42/54/400054254.db2.gz DULLIGRWSQWQAP-UZLBHIALSA-N 2 1 312.457 2.797 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1C ZINC000631605677 400057788 /nfs/dbraw/zinc/05/77/88/400057788.db2.gz GFTJNTKLCGWZOA-ZWKOTPCHSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631660894 400063337 /nfs/dbraw/zinc/06/33/37/400063337.db2.gz GWXDESKNWCDNRE-INIZCTEOSA-N 2 1 314.832 2.977 20 0 DFADMP CCOC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631661643 400063466 /nfs/dbraw/zinc/06/34/66/400063466.db2.gz ARHBNIBJUYBVCI-FLODPWGTSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000631664942 400064035 /nfs/dbraw/zinc/06/40/35/400064035.db2.gz SPFVCVGTKCFGBF-FLODPWGTSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCOC[C@@H]1C ZINC000631665361 400064064 /nfs/dbraw/zinc/06/40/64/400064064.db2.gz WMAPBIMFHDMCLG-NEPXVJNWSA-N 2 1 302.462 2.769 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000631669670 400064623 /nfs/dbraw/zinc/06/46/23/400064623.db2.gz JGYNCLVJVAUWGX-SWBPCFCJSA-N 2 1 314.473 2.648 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@H]1CC[NH+]1C1CCCC1)C1CCCCC1 ZINC000628965033 400066476 /nfs/dbraw/zinc/06/64/76/400066476.db2.gz SZLDKRJTMKIYNZ-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000628965033 400066477 /nfs/dbraw/zinc/06/64/77/400066477.db2.gz SZLDKRJTMKIYNZ-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)NC[C@H]1CC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000628965033 400066478 /nfs/dbraw/zinc/06/64/78/400066478.db2.gz SZLDKRJTMKIYNZ-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP c1csc(C[N@@H+](C[C@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000631824573 400077829 /nfs/dbraw/zinc/07/78/29/400077829.db2.gz KHGIUVVKXWJAEB-HUUCEWRRSA-N 2 1 321.490 2.656 20 0 DFADMP c1csc(C[N@H+](C[C@H]2CCCCO2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000631824573 400077830 /nfs/dbraw/zinc/07/78/30/400077830.db2.gz KHGIUVVKXWJAEB-HUUCEWRRSA-N 2 1 321.490 2.656 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3c1CCOC3)CC[NH2+]CC2 ZINC000631829492 400078080 /nfs/dbraw/zinc/07/80/80/400078080.db2.gz RQFSWVBOWFCZER-OAHLLOKOSA-N 2 1 300.446 2.723 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)n1 ZINC000631830457 400078321 /nfs/dbraw/zinc/07/83/21/400078321.db2.gz SLQATFVOWWEUQG-UKRRQHHQSA-N 2 1 315.383 2.966 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)n1 ZINC000631830457 400078322 /nfs/dbraw/zinc/07/83/22/400078322.db2.gz SLQATFVOWWEUQG-UKRRQHHQSA-N 2 1 315.383 2.966 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@@H]1C[NH3+] ZINC000631839376 400078821 /nfs/dbraw/zinc/07/88/21/400078821.db2.gz FRFFGFJNIYDJKX-QAPCUYQASA-N 2 1 311.429 2.687 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CCC1CC[NH2+]CC1 ZINC000237496632 146045167 /nfs/dbraw/zinc/04/51/67/146045167.db2.gz HBXKTQSMIDATLP-INIZCTEOSA-N 2 1 309.498 2.537 20 0 DFADMP C[C@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCC[NH2+]1 ZINC000237792070 146052234 /nfs/dbraw/zinc/05/22/34/146052234.db2.gz VAPVVTRHINLRIK-LJQANCHMSA-N 2 1 321.509 2.633 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245622421 146088255 /nfs/dbraw/zinc/08/82/55/146088255.db2.gz RQYJVYBRSQEGGZ-OCCSQVGLSA-N 2 1 311.495 2.633 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C2CCOCC2)C3)cc1 ZINC000245642552 146089403 /nfs/dbraw/zinc/08/94/03/146089403.db2.gz BCFYZJOJULOLLZ-LDLYASANSA-N 2 1 300.446 2.951 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245731233 146097946 /nfs/dbraw/zinc/09/79/46/146097946.db2.gz QGKRXWPERKMZBT-IYWMVGAKSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245731233 146097952 /nfs/dbraw/zinc/09/79/52/146097952.db2.gz QGKRXWPERKMZBT-IYWMVGAKSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245731233 146097955 /nfs/dbraw/zinc/09/79/55/146097955.db2.gz QGKRXWPERKMZBT-IYWMVGAKSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245731233 146097958 /nfs/dbraw/zinc/09/79/58/146097958.db2.gz QGKRXWPERKMZBT-IYWMVGAKSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245731233 146097960 /nfs/dbraw/zinc/09/79/60/146097960.db2.gz QGKRXWPERKMZBT-IYWMVGAKSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245731229 146098436 /nfs/dbraw/zinc/09/84/36/146098436.db2.gz QGKRXWPERKMZBT-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245731229 146098438 /nfs/dbraw/zinc/09/84/38/146098438.db2.gz QGKRXWPERKMZBT-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245731229 146098439 /nfs/dbraw/zinc/09/84/39/146098439.db2.gz QGKRXWPERKMZBT-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245731229 146098441 /nfs/dbraw/zinc/09/84/41/146098441.db2.gz QGKRXWPERKMZBT-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245731229 146098442 /nfs/dbraw/zinc/09/84/42/146098442.db2.gz QGKRXWPERKMZBT-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@H+]1CCN(Cc2cccc3nccn32)[C@@H](c2ccccc2)C1 ZINC000245838036 146104419 /nfs/dbraw/zinc/10/44/19/146104419.db2.gz BPXQWNJVGGKMHI-GOSISDBHSA-N 2 1 306.413 2.823 20 0 DFADMP COc1ccc(COCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247109520 146162063 /nfs/dbraw/zinc/16/20/63/146162063.db2.gz SYGZPRDRFDGDKC-FRQCXROJSA-N 2 1 320.477 2.920 20 0 DFADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248876865 146172744 /nfs/dbraw/zinc/17/27/44/146172744.db2.gz JPPYYWLFSBXTNR-WTXRPNCFSA-N 2 1 320.502 2.539 20 0 DFADMP C[C@H](C[S@](C)=O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248876865 146172747 /nfs/dbraw/zinc/17/27/47/146172747.db2.gz JPPYYWLFSBXTNR-WTXRPNCFSA-N 2 1 320.502 2.539 20 0 DFADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248886126 146173795 /nfs/dbraw/zinc/17/37/95/146173795.db2.gz MCBIZNMAKSZKKG-UJWQCDCRSA-N 2 1 314.473 2.931 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000249041521 146183780 /nfs/dbraw/zinc/18/37/80/146183780.db2.gz UVUYSVDQSNTNHD-UHZRXMQZSA-N 2 1 314.473 2.933 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)C(F)F ZINC000453272090 543371886 /nfs/dbraw/zinc/37/18/86/543371886.db2.gz RXTTXWHQEKTZFW-QKPAOTATSA-N 2 1 312.404 2.816 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H](O)C(F)F ZINC000453272090 543371890 /nfs/dbraw/zinc/37/18/90/543371890.db2.gz RXTTXWHQEKTZFW-QKPAOTATSA-N 2 1 312.404 2.816 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520561 146200693 /nfs/dbraw/zinc/20/06/93/146200693.db2.gz UZXXOBSNONMZNC-RTBURBONSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520561 146200696 /nfs/dbraw/zinc/20/06/96/146200696.db2.gz UZXXOBSNONMZNC-RTBURBONSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520561 146200700 /nfs/dbraw/zinc/20/07/00/146200700.db2.gz UZXXOBSNONMZNC-RTBURBONSA-N 2 1 314.473 2.970 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)CC2)cc1 ZINC000249789716 146207152 /nfs/dbraw/zinc/20/71/52/146207152.db2.gz DZYCEMLMELLKOR-IPMKNSEASA-N 2 1 300.446 2.808 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000261539613 146238539 /nfs/dbraw/zinc/23/85/39/146238539.db2.gz CWBACPSREQQLAT-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000261660656 146255695 /nfs/dbraw/zinc/25/56/95/146255695.db2.gz FRVHAEQXEUGQNI-MRXNPFEDSA-N 2 1 304.825 2.901 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000261685405 146259362 /nfs/dbraw/zinc/25/93/62/146259362.db2.gz KGDSTBQTGQBKEH-INIZCTEOSA-N 2 1 320.824 2.603 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000261684945 146259844 /nfs/dbraw/zinc/25/98/44/146259844.db2.gz INXYYFLNRGNCPZ-UHFFFAOYSA-N 2 1 318.396 2.697 20 0 DFADMP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)c1 ZINC000261707863 146263377 /nfs/dbraw/zinc/26/33/77/146263377.db2.gz DHXNYUFNMVFRIS-RTBURBONSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)c1 ZINC000261707863 146263382 /nfs/dbraw/zinc/26/33/82/146263382.db2.gz DHXNYUFNMVFRIS-RTBURBONSA-N 2 1 318.461 2.676 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261760701 146272213 /nfs/dbraw/zinc/27/22/13/146272213.db2.gz CXEZBDGYANLDNC-GOSISDBHSA-N 2 1 317.477 2.587 20 0 DFADMP C[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000261776558 146274557 /nfs/dbraw/zinc/27/45/57/146274557.db2.gz JEIGYNJTGPLMKU-XJKSGUPXSA-N 2 1 323.868 2.548 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261780333 146275373 /nfs/dbraw/zinc/27/53/73/146275373.db2.gz FKPKZIVMQNHCNX-BJJXKVORSA-N 2 1 322.836 2.686 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261780333 146275376 /nfs/dbraw/zinc/27/53/76/146275376.db2.gz FKPKZIVMQNHCNX-BJJXKVORSA-N 2 1 322.836 2.686 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000261800241 146278781 /nfs/dbraw/zinc/27/87/81/146278781.db2.gz VTBFDONPHXXTAH-GDZNZVCISA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccc(Cl)cc1 ZINC000261800241 146278783 /nfs/dbraw/zinc/27/87/83/146278783.db2.gz VTBFDONPHXXTAH-GDZNZVCISA-N 2 1 323.868 2.576 20 0 DFADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)s1 ZINC000261841560 146287966 /nfs/dbraw/zinc/28/79/66/146287966.db2.gz ALCMEQXHSOUJQG-JHJVBQTASA-N 2 1 300.855 2.648 20 0 DFADMP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)n1 ZINC000261862764 146290851 /nfs/dbraw/zinc/29/08/51/146290851.db2.gz CIMNZXNYTBYVSV-MCIONIFRSA-N 2 1 309.479 2.513 20 0 DFADMP CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261891268 146296263 /nfs/dbraw/zinc/29/62/63/146296263.db2.gz NUDITPLYOCNXPC-RYQLBKOJSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261891268 146296265 /nfs/dbraw/zinc/29/62/65/146296265.db2.gz NUDITPLYOCNXPC-RYQLBKOJSA-N 2 1 315.461 2.808 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000261892901 146296278 /nfs/dbraw/zinc/29/62/78/146296278.db2.gz GVFKZDFKGZHEIR-DGCUDZEOSA-N 2 1 324.415 2.815 20 0 DFADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261911323 146300122 /nfs/dbraw/zinc/30/01/22/146300122.db2.gz JCNYNCHGKWWXSF-OAGGEKHMSA-N 2 1 324.465 2.794 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261934773 146305945 /nfs/dbraw/zinc/30/59/45/146305945.db2.gz MCRFBRDYSDLIGZ-LULLPPNCSA-N 2 1 302.462 2.845 20 0 DFADMP O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000261948636 146309264 /nfs/dbraw/zinc/30/92/64/146309264.db2.gz NPYOLLZVZFFWPY-CYBMUJFWSA-N 2 1 322.399 2.859 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261959780 146310433 /nfs/dbraw/zinc/31/04/33/146310433.db2.gz PBPQLYRFTZTEOO-KRWDZBQOSA-N 2 1 310.445 2.891 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261959780 146310435 /nfs/dbraw/zinc/31/04/35/146310435.db2.gz PBPQLYRFTZTEOO-KRWDZBQOSA-N 2 1 310.445 2.891 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H]2C[C@@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977864 146313483 /nfs/dbraw/zinc/31/34/83/146313483.db2.gz IXLUWVNNPMVQIA-KSZLIROESA-N 2 1 306.425 2.713 20 0 DFADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261981488 146315076 /nfs/dbraw/zinc/31/50/76/146315076.db2.gz RSTODPNOGWPULI-OWYHZJEWSA-N 2 1 318.461 2.509 20 0 DFADMP Cc1ccc2c(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000261983855 146315239 /nfs/dbraw/zinc/31/52/39/146315239.db2.gz RTMHQVYLDUDYHF-UONOGXRCSA-N 2 1 300.402 2.661 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000261989707 146316916 /nfs/dbraw/zinc/31/69/16/146316916.db2.gz SURXNZXGICAUCY-UHFFFAOYSA-N 2 1 323.868 2.908 20 0 DFADMP c1ccc(CC[N@@H+](Cc2cccnc2)C[C@H]2CCC[NH2+]C2)nc1 ZINC000261999597 146319200 /nfs/dbraw/zinc/31/92/00/146319200.db2.gz UAMXZLZLJORXBZ-SFHVURJKSA-N 2 1 310.445 2.521 20 0 DFADMP c1ccc(CC[N@H+](Cc2cccnc2)C[C@H]2CCC[NH2+]C2)nc1 ZINC000261999597 146319202 /nfs/dbraw/zinc/31/92/02/146319202.db2.gz UAMXZLZLJORXBZ-SFHVURJKSA-N 2 1 310.445 2.521 20 0 DFADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1 ZINC000261996365 146319219 /nfs/dbraw/zinc/31/92/19/146319219.db2.gz ULTFYAPUCABFNF-MRXNPFEDSA-N 2 1 321.852 2.743 20 0 DFADMP FC(F)COc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000262001240 146320936 /nfs/dbraw/zinc/32/09/36/146320936.db2.gz LJRSYHBCEAUMNR-UHFFFAOYSA-N 2 1 310.388 2.906 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)s2)cn1 ZINC000262028083 146324024 /nfs/dbraw/zinc/32/40/24/146324024.db2.gz WVVQCVVIYBBGKC-AWEZNQCLSA-N 2 1 304.463 2.723 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047984 146327552 /nfs/dbraw/zinc/32/75/52/146327552.db2.gz ZHCPUGKZJSZXEE-CHWSQXEVSA-N 2 1 304.463 2.708 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1 ZINC000262090070 146332100 /nfs/dbraw/zinc/33/21/00/146332100.db2.gz UHSKZYOBDDPAFE-LJQANCHMSA-N 2 1 317.477 2.729 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)C[C@H]21 ZINC000262099665 146332934 /nfs/dbraw/zinc/33/29/34/146332934.db2.gz ISSDVUPJBCMQMZ-GZBFAFLISA-N 2 1 321.852 2.728 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262095799 146333262 /nfs/dbraw/zinc/33/32/62/146333262.db2.gz IJFJYBFMGCNGMU-KCQAQPDRSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262095799 146333264 /nfs/dbraw/zinc/33/32/64/146333264.db2.gz IJFJYBFMGCNGMU-KCQAQPDRSA-N 2 1 321.852 2.646 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000262367057 146354321 /nfs/dbraw/zinc/35/43/21/146354321.db2.gz XDZNVUFTUIHFRR-IACUBPJLSA-N 2 1 324.852 2.916 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000262367057 146354325 /nfs/dbraw/zinc/35/43/25/146354325.db2.gz XDZNVUFTUIHFRR-IACUBPJLSA-N 2 1 324.852 2.916 20 0 DFADMP Cc1ccc2c(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)cc(=O)oc2c1 ZINC000262409275 146357865 /nfs/dbraw/zinc/35/78/65/146357865.db2.gz CXLPNIRXXRTDGL-OAHLLOKOSA-N 2 1 300.402 2.675 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000262703051 146383439 /nfs/dbraw/zinc/38/34/39/146383439.db2.gz KAMRAWQFXWLZSZ-RHSMWYFYSA-N 2 1 323.506 2.594 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000354490003 147056947 /nfs/dbraw/zinc/05/69/47/147056947.db2.gz PWUADSVAEZGGNE-QGZVFWFLSA-N 2 1 321.509 2.774 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000354706711 147121914 /nfs/dbraw/zinc/12/19/14/147121914.db2.gz BOIYYCSSHSSCKK-IXDOHACOSA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000354706711 147121917 /nfs/dbraw/zinc/12/19/17/147121917.db2.gz BOIYYCSSHSSCKK-IXDOHACOSA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000354706711 147121921 /nfs/dbraw/zinc/12/19/21/147121921.db2.gz BOIYYCSSHSSCKK-IXDOHACOSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1C[C@H](C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)CC[NH+]1C ZINC000354886813 147189773 /nfs/dbraw/zinc/18/97/73/147189773.db2.gz QGFCHGWCLOOKEV-HZPDHXFCSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@@H]1C[C@H](C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC[NH+]1C ZINC000354886813 147189777 /nfs/dbraw/zinc/18/97/77/147189777.db2.gz QGFCHGWCLOOKEV-HZPDHXFCSA-N 2 1 321.509 2.511 20 0 DFADMP CCc1ncc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)s1 ZINC000355373473 147289125 /nfs/dbraw/zinc/28/91/25/147289125.db2.gz XOCGSGWYGIEQPM-CYBMUJFWSA-N 2 1 304.463 2.894 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC000355410758 147304989 /nfs/dbraw/zinc/30/49/89/147304989.db2.gz KPQJWCSDRDEWPA-HOTGVXAUSA-N 2 1 317.477 2.627 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+](CC)C(C)C)c1ccccc1 ZINC000355648425 147396607 /nfs/dbraw/zinc/39/66/07/147396607.db2.gz CXVMTXNSWAFEIW-SFHVURJKSA-N 2 1 319.493 2.916 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C)c(C)s2)C1 ZINC000357733041 148100402 /nfs/dbraw/zinc/10/04/02/148100402.db2.gz QAQYTHGQCLQVLH-OAHLLOKOSA-N 2 1 311.495 2.693 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C)c(C)s2)C1 ZINC000357733041 148100406 /nfs/dbraw/zinc/10/04/06/148100406.db2.gz QAQYTHGQCLQVLH-OAHLLOKOSA-N 2 1 311.495 2.693 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000357742666 148103428 /nfs/dbraw/zinc/10/34/28/148103428.db2.gz RVQWGYOSTMSQRE-CQSZACIVSA-N 2 1 321.490 2.621 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000357795908 148125829 /nfs/dbraw/zinc/12/58/29/148125829.db2.gz GFLKMHUHDNBZEP-QGZVFWFLSA-N 2 1 310.482 2.569 20 0 DFADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+]1CCCCCC1 ZINC000357918617 148175326 /nfs/dbraw/zinc/17/53/26/148175326.db2.gz UJKSHFNZOJYGNH-QGZVFWFLSA-N 2 1 323.525 2.974 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC2CCCC2)[C@H](C)C1 ZINC000358016753 148214466 /nfs/dbraw/zinc/21/44/66/148214466.db2.gz HLDHBOYJRWONFG-AEFFLSMTSA-N 2 1 312.498 2.672 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000350292821 286025687 /nfs/dbraw/zinc/02/56/87/286025687.db2.gz ZQDLKNZZPXDZCU-UHFFFAOYSA-N 2 1 316.445 2.993 20 0 DFADMP CSc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000358049461 148226785 /nfs/dbraw/zinc/22/67/85/148226785.db2.gz ODUWHMFFVUBBJS-OAHLLOKOSA-N 2 1 322.518 2.933 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3c[nH]c4ncncc34)C2)[nH+]1 ZINC000638007533 543497365 /nfs/dbraw/zinc/49/73/65/543497365.db2.gz RPFGGDLODNQXQC-CQSZACIVSA-N 2 1 322.416 2.547 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3c[nH]c4ncncc34)C2)[nH+]1 ZINC000638007533 543497368 /nfs/dbraw/zinc/49/73/68/543497368.db2.gz RPFGGDLODNQXQC-CQSZACIVSA-N 2 1 322.416 2.547 20 0 DFADMP COCCOC[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358193217 148280543 /nfs/dbraw/zinc/28/05/43/148280543.db2.gz AQOUGPCMNOSZPQ-HUUCEWRRSA-N 2 1 317.433 2.883 20 0 DFADMP Oc1cccc2c1CC[C@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894364 296603309 /nfs/dbraw/zinc/60/33/09/296603309.db2.gz FYTYJZUCTQFWAY-MRXNPFEDSA-N 2 1 313.401 2.624 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000358281862 148316886 /nfs/dbraw/zinc/31/68/86/148316886.db2.gz DCLDKDSDRZATNO-DOTOQJQBSA-N 2 1 318.461 2.710 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358407092 148349244 /nfs/dbraw/zinc/34/92/44/148349244.db2.gz QZESPTRKSMUWHH-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358407092 148349245 /nfs/dbraw/zinc/34/92/45/148349245.db2.gz QZESPTRKSMUWHH-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358407092 148349246 /nfs/dbraw/zinc/34/92/46/148349246.db2.gz QZESPTRKSMUWHH-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358517879 148382089 /nfs/dbraw/zinc/38/20/89/148382089.db2.gz PYLZOODJKSCGMZ-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@@H](C)C1 ZINC000358301919 286064001 /nfs/dbraw/zinc/06/40/01/286064001.db2.gz PRHGAQNSFBGQRA-KSZLIROESA-N 2 1 324.509 2.815 20 0 DFADMP COC[C@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)OC ZINC000660007077 543524268 /nfs/dbraw/zinc/52/42/68/543524268.db2.gz YOEVXAHEBHEWEL-AEFFLSMTSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000660006766 543524367 /nfs/dbraw/zinc/52/43/67/543524367.db2.gz UGGKCUXQUBJNSC-PKOBYXMFSA-N 2 1 324.509 2.504 20 0 DFADMP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000361009707 149007441 /nfs/dbraw/zinc/00/74/41/149007441.db2.gz MHEQKKFHDQGOLT-IXDOHACOSA-N 2 1 317.452 2.868 20 0 DFADMP COc1ccc(COCCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000361011205 149007728 /nfs/dbraw/zinc/00/77/28/149007728.db2.gz DAIZODFKFWCUCC-MAUKXSAKSA-N 2 1 306.450 2.532 20 0 DFADMP CCC[C@H](CC)[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000361027102 149012925 /nfs/dbraw/zinc/01/29/25/149012925.db2.gz DGWCDNWNRXBSME-INIZCTEOSA-N 2 1 321.513 2.539 20 0 DFADMP CC1(C)C[C@@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC000660446436 543526634 /nfs/dbraw/zinc/52/66/34/543526634.db2.gz FKMGTIRZWNLYJK-FGTMMUONSA-N 2 1 300.446 2.618 20 0 DFADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC000660446436 543526635 /nfs/dbraw/zinc/52/66/35/543526635.db2.gz FKMGTIRZWNLYJK-FGTMMUONSA-N 2 1 300.446 2.618 20 0 DFADMP CC1(C)C[C@@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC000660446436 543526637 /nfs/dbraw/zinc/52/66/37/543526637.db2.gz FKMGTIRZWNLYJK-FGTMMUONSA-N 2 1 300.446 2.618 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000361117391 149031792 /nfs/dbraw/zinc/03/17/92/149031792.db2.gz JMSVDPWBZBNWPF-CYBMUJFWSA-N 2 1 312.408 2.521 20 0 DFADMP Cn1nccc1CN1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000361152297 149041232 /nfs/dbraw/zinc/04/12/32/149041232.db2.gz BVSWOQYRUDCGJP-SFHVURJKSA-N 2 1 312.461 2.907 20 0 DFADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000361230698 149060312 /nfs/dbraw/zinc/06/03/12/149060312.db2.gz FRMIKPARUDPWJE-SWLSCSKDSA-N 2 1 304.459 2.791 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2cncc(C(F)(F)F)c2)CC1 ZINC000361295032 149077310 /nfs/dbraw/zinc/07/73/10/149077310.db2.gz HQWZRKTVUMIVFX-UHFFFAOYSA-N 2 1 301.356 2.874 20 0 DFADMP Cc1cccc2c1CC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000361350505 149093496 /nfs/dbraw/zinc/09/34/96/149093496.db2.gz GPWJIWCVLFSMFG-QFBILLFUSA-N 2 1 302.462 2.809 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000361398395 149105190 /nfs/dbraw/zinc/10/51/90/149105190.db2.gz SZSGDEUAGUIOEZ-NZSAHSFTSA-N 2 1 302.462 2.913 20 0 DFADMP OC[C@H]([NH2+]CCn1ccnc1)c1c(Cl)cccc1Cl ZINC000361541708 149141805 /nfs/dbraw/zinc/14/18/05/149141805.db2.gz RZLWRLLSUSFXCP-LBPRGKRZSA-N 2 1 300.189 2.513 20 0 DFADMP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000361947164 149262903 /nfs/dbraw/zinc/26/29/03/149262903.db2.gz ZAWGPQJBVWUTIV-GOEBONIOSA-N 2 1 320.506 2.997 20 0 DFADMP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)CC1 ZINC000361947159 149262917 /nfs/dbraw/zinc/26/29/17/149262917.db2.gz ZAWGPQJBVWUTIV-GDBMZVCRSA-N 2 1 320.506 2.997 20 0 DFADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000361985355 149270839 /nfs/dbraw/zinc/27/08/39/149270839.db2.gz YJAGOPNRRAPJHQ-RDTXWAMCSA-N 2 1 312.461 2.919 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]12 ZINC000351473204 286128949 /nfs/dbraw/zinc/12/89/49/286128949.db2.gz CMLNGKFHWINMHD-AEGPPILISA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]12 ZINC000351473204 286128951 /nfs/dbraw/zinc/12/89/51/286128951.db2.gz CMLNGKFHWINMHD-AEGPPILISA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@H]12 ZINC000351474113 286128956 /nfs/dbraw/zinc/12/89/56/286128956.db2.gz FGQZWNRDXKZQRK-JCGIZDLHSA-N 2 1 322.456 2.530 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@H]12 ZINC000351474113 286128959 /nfs/dbraw/zinc/12/89/59/286128959.db2.gz FGQZWNRDXKZQRK-JCGIZDLHSA-N 2 1 322.456 2.530 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351477986 286130253 /nfs/dbraw/zinc/13/02/53/286130253.db2.gz OINGVJIKHORXHX-AETAKHFUSA-N 2 1 323.440 2.836 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351477986 286130255 /nfs/dbraw/zinc/13/02/55/286130255.db2.gz OINGVJIKHORXHX-AETAKHFUSA-N 2 1 323.440 2.836 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000351482072 286131628 /nfs/dbraw/zinc/13/16/28/286131628.db2.gz YOLREOCMDOQHMQ-KCPJHIHWSA-N 2 1 314.351 2.753 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]12 ZINC000351482084 286131633 /nfs/dbraw/zinc/13/16/33/286131633.db2.gz YRPTZAOEFDLTAL-BPLDGKMQSA-N 2 1 314.351 2.797 20 0 DFADMP CN(C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)C1CC1 ZINC000351443237 286126607 /nfs/dbraw/zinc/12/66/07/286126607.db2.gz LYLZRVHTEFGPIJ-SJORKVTESA-N 2 1 322.880 2.802 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000351490603 286133838 /nfs/dbraw/zinc/13/38/38/286133838.db2.gz IMDWKDGYRYPHJF-MWDXBVQZSA-N 2 1 315.461 2.608 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000351490603 286133841 /nfs/dbraw/zinc/13/38/41/286133841.db2.gz IMDWKDGYRYPHJF-MWDXBVQZSA-N 2 1 315.461 2.608 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+](Cc1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000351532984 286145760 /nfs/dbraw/zinc/14/57/60/286145760.db2.gz AAVARLURVIXRIG-QGZVFWFLSA-N 2 1 308.441 2.881 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000351532984 286145761 /nfs/dbraw/zinc/14/57/61/286145761.db2.gz AAVARLURVIXRIG-QGZVFWFLSA-N 2 1 308.441 2.881 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000351532984 286145762 /nfs/dbraw/zinc/14/57/62/286145762.db2.gz AAVARLURVIXRIG-QGZVFWFLSA-N 2 1 308.441 2.881 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000351532984 286145766 /nfs/dbraw/zinc/14/57/66/286145766.db2.gz AAVARLURVIXRIG-QGZVFWFLSA-N 2 1 308.441 2.881 20 0 DFADMP Cc1nccn1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371196483 150000857 /nfs/dbraw/zinc/00/08/57/150000857.db2.gz DVUXSRWPNXAPMS-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1)NC1CCCC1 ZINC000371197436 150000883 /nfs/dbraw/zinc/00/08/83/150000883.db2.gz WPUIBRJGVKYQJL-KRWDZBQOSA-N 2 1 321.509 2.633 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000371204545 150002956 /nfs/dbraw/zinc/00/29/56/150002956.db2.gz IFSJFZKVKJONMK-DLBZAZTESA-N 2 1 302.466 2.608 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000371204545 150002959 /nfs/dbraw/zinc/00/29/59/150002959.db2.gz IFSJFZKVKJONMK-DLBZAZTESA-N 2 1 302.466 2.608 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000371204545 150002961 /nfs/dbraw/zinc/00/29/61/150002961.db2.gz IFSJFZKVKJONMK-DLBZAZTESA-N 2 1 302.466 2.608 20 0 DFADMP CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371291912 150016198 /nfs/dbraw/zinc/01/61/98/150016198.db2.gz AHCWIRTZBYFTNS-YQVWRLOYSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371291912 150016203 /nfs/dbraw/zinc/01/62/03/150016203.db2.gz AHCWIRTZBYFTNS-YQVWRLOYSA-N 2 1 318.461 2.769 20 0 DFADMP COCc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371295498 150018303 /nfs/dbraw/zinc/01/83/03/150018303.db2.gz RYTXAXQTEJIXDH-CEXWTWQISA-N 2 1 318.461 2.517 20 0 DFADMP COc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(OC)c1 ZINC000371402774 150039744 /nfs/dbraw/zinc/03/97/44/150039744.db2.gz BFZVWJFQTXUKCX-BPQIPLTHSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc(OC)c1 ZINC000371403569 150039903 /nfs/dbraw/zinc/03/99/03/150039903.db2.gz UPWMQQMWAYTTLS-LZQZEXGQSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc(OC)c1 ZINC000371403569 150039907 /nfs/dbraw/zinc/03/99/07/150039907.db2.gz UPWMQQMWAYTTLS-LZQZEXGQSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc(OC)c1 ZINC000371403569 150039910 /nfs/dbraw/zinc/03/99/10/150039910.db2.gz UPWMQQMWAYTTLS-LZQZEXGQSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc(OC)c1 ZINC000371403569 150039917 /nfs/dbraw/zinc/03/99/17/150039917.db2.gz UPWMQQMWAYTTLS-LZQZEXGQSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc(OC)c1 ZINC000371403569 150039923 /nfs/dbraw/zinc/03/99/23/150039923.db2.gz UPWMQQMWAYTTLS-LZQZEXGQSA-N 2 1 316.445 2.620 20 0 DFADMP Cc1cc(C)n([C@H]2CCCN(Cc3cccc4nccn43)C2)n1 ZINC000371476867 150053311 /nfs/dbraw/zinc/05/33/11/150053311.db2.gz GQJCWKZMMUHRLR-KRWDZBQOSA-N 2 1 309.417 2.985 20 0 DFADMP Cc1ncc(CN2CC[C@H]3CC[N@H+](C)[C@@H]3C2)n1-c1ccccc1 ZINC000371541305 150062846 /nfs/dbraw/zinc/06/28/46/150062846.db2.gz AEBYPQWFVCGVEL-VQIMIIECSA-N 2 1 310.445 2.707 20 0 DFADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000371723983 150086641 /nfs/dbraw/zinc/08/66/41/150086641.db2.gz OMNIVFAGCGRWOS-HKUYNNGSSA-N 2 1 312.461 2.820 20 0 DFADMP Cn1ccnc1CC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000372018755 150125513 /nfs/dbraw/zinc/12/55/13/150125513.db2.gz KYUGNEQXSIKKII-KRWDZBQOSA-N 2 1 304.482 2.549 20 0 DFADMP COc1c(C)cnc(C[N@@H+](C)C[C@H]2CCc3nccn3C2)c1C ZINC000372527505 150179138 /nfs/dbraw/zinc/17/91/38/150179138.db2.gz RGHDQJNSIBSRGP-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP COc1c(C)cnc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1C ZINC000372527505 150179142 /nfs/dbraw/zinc/17/91/42/150179142.db2.gz RGHDQJNSIBSRGP-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351604901 286166917 /nfs/dbraw/zinc/16/69/17/286166917.db2.gz FUCFVAPIYSPIKG-SXLOBPIMSA-N 2 1 316.489 2.833 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351604901 286166918 /nfs/dbraw/zinc/16/69/18/286166918.db2.gz FUCFVAPIYSPIKG-SXLOBPIMSA-N 2 1 316.489 2.833 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1CCC[NH+](CC)CC ZINC000372947132 150206788 /nfs/dbraw/zinc/20/67/88/150206788.db2.gz JHHKRFGLANIGBT-IAGOWNOFSA-N 2 1 309.498 2.584 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000373002077 150215012 /nfs/dbraw/zinc/21/50/12/150215012.db2.gz ZLVZTDYGOCYOJX-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP CCCCN(C)C(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351617748 286171370 /nfs/dbraw/zinc/17/13/70/286171370.db2.gz ZQOKSOWSSHHIHG-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000374075828 150303400 /nfs/dbraw/zinc/30/34/00/150303400.db2.gz XHRUTRRHDBMCQJ-UHFFFAOYSA-N 2 1 315.461 2.953 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CCOCC(C)C)CC2)nc(C)[nH+]1 ZINC000374202884 150321096 /nfs/dbraw/zinc/32/10/96/150321096.db2.gz APUONUCENGWAJE-UHFFFAOYSA-N 2 1 320.481 2.667 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)CCOCC(C)C)CC2)nc(C)[nH+]1 ZINC000374202884 150321100 /nfs/dbraw/zinc/32/11/00/150321100.db2.gz APUONUCENGWAJE-UHFFFAOYSA-N 2 1 320.481 2.667 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2Cl)CC[N@@H+]1C1CCN(C)CC1 ZINC000374259315 150330865 /nfs/dbraw/zinc/33/08/65/150330865.db2.gz OUVDSHZMFKKECT-OAHLLOKOSA-N 2 1 321.896 2.940 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2Cl)CC[N@H+]1C1CCN(C)CC1 ZINC000374259315 150330869 /nfs/dbraw/zinc/33/08/69/150330869.db2.gz OUVDSHZMFKKECT-OAHLLOKOSA-N 2 1 321.896 2.940 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@@H]2c2ccccc2)c1C ZINC000261742462 286182429 /nfs/dbraw/zinc/18/24/29/286182429.db2.gz OEYROMYNGXBBDE-GOSISDBHSA-N 2 1 311.429 2.854 20 0 DFADMP Cc1cc(N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)nc(C)n1 ZINC000374302384 150341317 /nfs/dbraw/zinc/34/13/17/150341317.db2.gz OOASAVPFGTUWHM-HNNXBMFYSA-N 2 1 300.450 2.794 20 0 DFADMP Cc1cc(N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000374302384 150341319 /nfs/dbraw/zinc/34/13/19/150341319.db2.gz OOASAVPFGTUWHM-HNNXBMFYSA-N 2 1 300.450 2.794 20 0 DFADMP Cc1cc(N2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000374302384 150341323 /nfs/dbraw/zinc/34/13/23/150341323.db2.gz OOASAVPFGTUWHM-HNNXBMFYSA-N 2 1 300.450 2.794 20 0 DFADMP CCn1ccnc1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374319347 150343470 /nfs/dbraw/zinc/34/34/70/150343470.db2.gz XRJJOLHXOBQICS-HNNXBMFYSA-N 2 1 302.466 2.599 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000351690754 286194794 /nfs/dbraw/zinc/19/47/94/286194794.db2.gz GCACYGSYFWJWQK-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722083 286202585 /nfs/dbraw/zinc/20/25/85/286202585.db2.gz WERISGAREPLMFH-QZTJIDSGSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722083 286202586 /nfs/dbraw/zinc/20/25/86/286202586.db2.gz WERISGAREPLMFH-QZTJIDSGSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722083 286202588 /nfs/dbraw/zinc/20/25/88/286202588.db2.gz WERISGAREPLMFH-QZTJIDSGSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722083 286202590 /nfs/dbraw/zinc/20/25/90/286202590.db2.gz WERISGAREPLMFH-QZTJIDSGSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352022999 286272138 /nfs/dbraw/zinc/27/21/38/286272138.db2.gz STLWEWLKXRWCCC-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352022999 286272139 /nfs/dbraw/zinc/27/21/39/286272139.db2.gz STLWEWLKXRWCCC-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352022999 286272140 /nfs/dbraw/zinc/27/21/40/286272140.db2.gz STLWEWLKXRWCCC-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352022999 286272141 /nfs/dbraw/zinc/27/21/41/286272141.db2.gz STLWEWLKXRWCCC-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000496375136 300053821 /nfs/dbraw/zinc/05/38/21/300053821.db2.gz NGACPQVGXWHXND-GJZGRUSLSA-N 2 1 311.470 2.508 20 0 DFADMP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352115682 286296304 /nfs/dbraw/zinc/29/63/04/286296304.db2.gz NLYUYNONRPPFLV-MNEFBYGVSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352115682 286296306 /nfs/dbraw/zinc/29/63/06/286296306.db2.gz NLYUYNONRPPFLV-MNEFBYGVSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@@H](c2ccccc2)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000352115682 286296307 /nfs/dbraw/zinc/29/63/07/286296307.db2.gz NLYUYNONRPPFLV-MNEFBYGVSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@@H](c2ccccc2)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352115682 286296308 /nfs/dbraw/zinc/29/63/08/286296308.db2.gz NLYUYNONRPPFLV-MNEFBYGVSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCc3[nH+]ccn32)CCCCCC1 ZINC000352140125 286302363 /nfs/dbraw/zinc/30/23/63/286302363.db2.gz JGUKSRMJXUOBOH-HNNXBMFYSA-N 2 1 318.465 2.531 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352411799 286366683 /nfs/dbraw/zinc/36/66/83/286366683.db2.gz YXYPZCLWAZIMLL-IYBDPMFKSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495233 286388149 /nfs/dbraw/zinc/38/81/49/286388149.db2.gz JTUBCGMMSHXGOZ-RHSMWYFYSA-N 2 1 321.440 2.548 20 0 DFADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495233 286388150 /nfs/dbraw/zinc/38/81/50/286388150.db2.gz JTUBCGMMSHXGOZ-RHSMWYFYSA-N 2 1 321.440 2.548 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCCC[C@@H]2CC[NH3+])c1 ZINC000352504877 286391536 /nfs/dbraw/zinc/39/15/36/286391536.db2.gz VSFSGDGLEHBLPY-GOSISDBHSA-N 2 1 317.477 2.776 20 0 DFADMP COCC[C@H](Cc1ccco1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352723091 286451273 /nfs/dbraw/zinc/45/12/73/286451273.db2.gz HFMWYGVEECGMHE-CYBMUJFWSA-N 2 1 323.462 2.535 20 0 DFADMP CCOC(=O)c1coc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000353451298 286648920 /nfs/dbraw/zinc/64/89/20/286648920.db2.gz WKCMQDTZHBFWPG-UHFFFAOYSA-N 2 1 320.433 2.764 20 0 DFADMP CCCCOC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246281698 158084704 /nfs/dbraw/zinc/08/47/04/158084704.db2.gz AYPORONZUKWLSP-RDJZCZTQSA-N 2 1 308.466 2.669 20 0 DFADMP CCCCOC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246281698 158084708 /nfs/dbraw/zinc/08/47/08/158084708.db2.gz AYPORONZUKWLSP-RDJZCZTQSA-N 2 1 308.466 2.669 20 0 DFADMP CCCCOC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246281698 158084710 /nfs/dbraw/zinc/08/47/10/158084710.db2.gz AYPORONZUKWLSP-RDJZCZTQSA-N 2 1 308.466 2.669 20 0 DFADMP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000246816181 158100511 /nfs/dbraw/zinc/10/05/11/158100511.db2.gz IYHIOMJFVVDPIR-JKSUJKDBSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@](O)(C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246880645 158103535 /nfs/dbraw/zinc/10/35/35/158103535.db2.gz QLKMOZRRWDZCJN-UXPWSPDFSA-N 2 1 314.473 2.843 20 0 DFADMP C[C@](O)(C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246880645 158103538 /nfs/dbraw/zinc/10/35/38/158103538.db2.gz QLKMOZRRWDZCJN-UXPWSPDFSA-N 2 1 314.473 2.843 20 0 DFADMP C[C@](O)(C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246880645 158103540 /nfs/dbraw/zinc/10/35/40/158103540.db2.gz QLKMOZRRWDZCJN-UXPWSPDFSA-N 2 1 314.473 2.843 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000246969985 158110350 /nfs/dbraw/zinc/11/03/50/158110350.db2.gz JAVDBZNPWXAVIW-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246969985 158110351 /nfs/dbraw/zinc/11/03/51/158110351.db2.gz JAVDBZNPWXAVIW-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246969985 158110354 /nfs/dbraw/zinc/11/03/54/158110354.db2.gz JAVDBZNPWXAVIW-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246969985 158110356 /nfs/dbraw/zinc/11/03/56/158110356.db2.gz JAVDBZNPWXAVIW-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000246969985 158110358 /nfs/dbraw/zinc/11/03/58/158110358.db2.gz JAVDBZNPWXAVIW-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246994146 158112205 /nfs/dbraw/zinc/11/22/05/158112205.db2.gz WOQIXICFMISRIV-YZGWKJHDSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246994146 158112209 /nfs/dbraw/zinc/11/22/09/158112209.db2.gz WOQIXICFMISRIV-YZGWKJHDSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246994146 158112215 /nfs/dbraw/zinc/11/22/15/158112215.db2.gz WOQIXICFMISRIV-YZGWKJHDSA-N 2 1 314.473 2.977 20 0 DFADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cn2)CC1 ZINC000247073937 158118495 /nfs/dbraw/zinc/11/84/95/158118495.db2.gz OKWFORDJPVGFRN-FUHWJXTLSA-N 2 1 316.493 2.890 20 0 DFADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cn2)CC1 ZINC000247073937 158118499 /nfs/dbraw/zinc/11/84/99/158118499.db2.gz OKWFORDJPVGFRN-FUHWJXTLSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247181463 158122547 /nfs/dbraw/zinc/12/25/47/158122547.db2.gz TYJXHXDTJQRWFL-CWRNSKLLSA-N 2 1 324.490 2.614 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247329395 158130274 /nfs/dbraw/zinc/13/02/74/158130274.db2.gz WTPUJORLTWSHOP-FUHWJXTLSA-N 2 1 302.418 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247329395 158130280 /nfs/dbraw/zinc/13/02/80/158130280.db2.gz WTPUJORLTWSHOP-FUHWJXTLSA-N 2 1 302.418 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247329395 158130283 /nfs/dbraw/zinc/13/02/83/158130283.db2.gz WTPUJORLTWSHOP-FUHWJXTLSA-N 2 1 302.418 2.528 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247477819 158138704 /nfs/dbraw/zinc/13/87/04/158138704.db2.gz VWAGOWFZNRDOIT-IAGOWNOFSA-N 2 1 311.514 2.734 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000247923366 158152394 /nfs/dbraw/zinc/15/23/94/158152394.db2.gz BJTBCAGLNZCNKU-BBWFWOEESA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000247923366 158152395 /nfs/dbraw/zinc/15/23/95/158152395.db2.gz BJTBCAGLNZCNKU-BBWFWOEESA-N 2 1 317.477 2.736 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248029122 158156547 /nfs/dbraw/zinc/15/65/47/158156547.db2.gz PZTIVRKURBICNY-GOEBONIOSA-N 2 1 300.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@@H](C)C1 ZINC000248031190 158157423 /nfs/dbraw/zinc/15/74/23/158157423.db2.gz QKYBMVBSAYOLAH-LPHOPBHVSA-N 2 1 312.461 2.751 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ccc(F)cc32)CC1 ZINC000248327824 158166578 /nfs/dbraw/zinc/16/65/78/158166578.db2.gz CPOQQFNPUXXMQS-LIRRHRJNSA-N 2 1 320.452 2.838 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000248403507 158172069 /nfs/dbraw/zinc/17/20/69/158172069.db2.gz OQFRAWLUWKYBLO-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248403507 158172071 /nfs/dbraw/zinc/17/20/71/158172071.db2.gz OQFRAWLUWKYBLO-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248403507 158172074 /nfs/dbraw/zinc/17/20/74/158172074.db2.gz OQFRAWLUWKYBLO-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248403507 158172076 /nfs/dbraw/zinc/17/20/76/158172076.db2.gz OQFRAWLUWKYBLO-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248403507 158172079 /nfs/dbraw/zinc/17/20/79/158172079.db2.gz OQFRAWLUWKYBLO-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248458835 158177910 /nfs/dbraw/zinc/17/79/10/158177910.db2.gz VEWLUFGMIITVII-LPHOPBHVSA-N 2 1 320.477 2.548 20 0 DFADMP C[N@@H+](CCN1CCC[C@H]1C[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC000248548107 158182297 /nfs/dbraw/zinc/18/22/97/158182297.db2.gz GOGXDLVJKBWLOM-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)[C@@H](C)C1 ZINC000248650568 158193420 /nfs/dbraw/zinc/19/34/20/158193420.db2.gz WVCAZWWPCBBKOD-KBXCAEBGSA-N 2 1 324.440 2.758 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)[C@@H](C)C1 ZINC000248650568 158193423 /nfs/dbraw/zinc/19/34/23/158193423.db2.gz WVCAZWWPCBBKOD-KBXCAEBGSA-N 2 1 324.440 2.758 20 0 DFADMP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248742926 158198687 /nfs/dbraw/zinc/19/86/87/158198687.db2.gz ALQSMHUSKAKZTP-LRCWTTKQSA-N 2 1 306.425 2.853 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354916411 158243774 /nfs/dbraw/zinc/24/37/74/158243774.db2.gz SNCUJXRHNMMIFC-QGZVFWFLSA-N 2 1 321.509 2.655 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354916411 158243776 /nfs/dbraw/zinc/24/37/76/158243776.db2.gz SNCUJXRHNMMIFC-QGZVFWFLSA-N 2 1 321.509 2.655 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354916411 158243778 /nfs/dbraw/zinc/24/37/78/158243778.db2.gz SNCUJXRHNMMIFC-QGZVFWFLSA-N 2 1 321.509 2.655 20 0 DFADMP CCc1nnc(CN2CCC(CC[N@H+](CC)CC3CC3)CC2)[nH]1 ZINC000355050997 158260917 /nfs/dbraw/zinc/26/09/17/158260917.db2.gz ILYWPNLCCZUOJU-UHFFFAOYSA-N 2 1 319.497 2.701 20 0 DFADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355060027 158262864 /nfs/dbraw/zinc/26/28/64/158262864.db2.gz UMWZWVUTPWMRIL-NXHRZFHOSA-N 2 1 317.477 2.668 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000355212699 158300279 /nfs/dbraw/zinc/30/02/79/158300279.db2.gz PBOWNSDKSYBVBV-DOTOQJQBSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000355212699 158300281 /nfs/dbraw/zinc/30/02/81/158300281.db2.gz PBOWNSDKSYBVBV-DOTOQJQBSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000355212699 158300283 /nfs/dbraw/zinc/30/02/83/158300283.db2.gz PBOWNSDKSYBVBV-DOTOQJQBSA-N 2 1 318.461 2.928 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+]([C@@H](C)c2ncc(C)o2)CC1 ZINC000357005690 158345109 /nfs/dbraw/zinc/34/51/09/158345109.db2.gz BQIPJEHYKZBDGO-HNNXBMFYSA-N 2 1 309.454 2.867 20 0 DFADMP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000357010608 158347539 /nfs/dbraw/zinc/34/75/39/158347539.db2.gz MAKCEQLIALBIEM-KRWDZBQOSA-N 2 1 316.424 2.580 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357054487 158357229 /nfs/dbraw/zinc/35/72/29/158357229.db2.gz QDORGUILHSRQLK-RBUKOAKNSA-N 3 1 315.505 2.686 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000357055435 158357917 /nfs/dbraw/zinc/35/79/17/158357917.db2.gz RJTQBFZVIKZLNU-CVEARBPZSA-N 2 1 304.434 2.524 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC(C)C ZINC000357055435 158357919 /nfs/dbraw/zinc/35/79/19/158357919.db2.gz RJTQBFZVIKZLNU-CVEARBPZSA-N 2 1 304.434 2.524 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000357059244 158357948 /nfs/dbraw/zinc/35/79/48/158357948.db2.gz WRLNQFXTMMQHNL-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000357059244 158357951 /nfs/dbraw/zinc/35/79/51/158357951.db2.gz WRLNQFXTMMQHNL-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357079814 158361935 /nfs/dbraw/zinc/36/19/35/158361935.db2.gz LOFKLEOGAWWQRS-STQMWFEESA-N 2 1 314.351 2.626 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357079814 158361937 /nfs/dbraw/zinc/36/19/37/158361937.db2.gz LOFKLEOGAWWQRS-STQMWFEESA-N 2 1 314.351 2.626 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357083319 158363013 /nfs/dbraw/zinc/36/30/13/158363013.db2.gz OVMMULJRVXRLLJ-OCCSQVGLSA-N 2 1 306.454 2.750 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)[C@@H](C)C1 ZINC000358291726 158368739 /nfs/dbraw/zinc/36/87/39/158368739.db2.gz GMKRUICAOXWIFO-PKOBYXMFSA-N 2 1 319.493 2.741 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358367579 158371749 /nfs/dbraw/zinc/37/17/49/158371749.db2.gz MRFIWIQJUJYEBP-RHSMWYFYSA-N 2 1 306.450 2.566 20 0 DFADMP c1csc(-c2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)no2)c1 ZINC000358506369 158383196 /nfs/dbraw/zinc/38/31/96/158383196.db2.gz JRRKITFAUVNLFV-UHFFFAOYSA-N 2 1 303.431 2.979 20 0 DFADMP Cc1sc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1C ZINC000358515631 158385411 /nfs/dbraw/zinc/38/54/11/158385411.db2.gz MVMGVJKJHLQBMS-UHFFFAOYSA-N 2 1 321.490 2.687 20 0 DFADMP Cc1ccccc1Cc1noc(C[NH+]2CCC([C@@H](C)[NH3+])CC2)n1 ZINC000430968321 296816243 /nfs/dbraw/zinc/81/62/43/296816243.db2.gz XUNSUWBENUCZME-CQSZACIVSA-N 2 1 314.433 2.528 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000360217532 287013354 /nfs/dbraw/zinc/01/33/54/287013354.db2.gz GPVKWAYMGNHPRH-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccc(OC)cc2)[C@H](C)C1 ZINC000129006182 196011093 /nfs/dbraw/zinc/01/10/93/196011093.db2.gz GUVLYRJWRXDJIL-IIDMSEBBSA-N 2 1 306.450 2.782 20 0 DFADMP O[C@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000129184172 196026283 /nfs/dbraw/zinc/02/62/83/196026283.db2.gz CRIPFECNGYATOJ-LPHOPBHVSA-N 2 1 320.452 2.583 20 0 DFADMP CCN(C)C(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000130703884 196102607 /nfs/dbraw/zinc/10/26/07/196102607.db2.gz LAUYFIKMBZYCFS-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000132578985 196267323 /nfs/dbraw/zinc/26/73/23/196267323.db2.gz RRWQKSQWYJXJBJ-WBVHZDCISA-N 2 1 307.482 2.765 20 0 DFADMP [NH3+]Cc1cccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000667732584 543669354 /nfs/dbraw/zinc/66/93/54/543669354.db2.gz OCOBLTQXCWCOSE-SFHVURJKSA-N 2 1 324.428 2.541 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667776079 543676503 /nfs/dbraw/zinc/67/65/03/543676503.db2.gz HWGBLCPVOVZQIS-PMACEKPBSA-N 2 1 314.473 2.851 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000668015593 543724384 /nfs/dbraw/zinc/72/43/84/543724384.db2.gz GDPAEZCPHCRLMQ-CQSZACIVSA-N 2 1 313.449 2.579 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000668015593 543724386 /nfs/dbraw/zinc/72/43/86/543724386.db2.gz GDPAEZCPHCRLMQ-CQSZACIVSA-N 2 1 313.449 2.579 20 0 DFADMP CO[C@@]1(C)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668095830 543738380 /nfs/dbraw/zinc/73/83/80/543738380.db2.gz RISWUCQLDCRXSR-KRWDZBQOSA-N 2 1 300.406 2.658 20 0 DFADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668095830 543738381 /nfs/dbraw/zinc/73/83/81/543738381.db2.gz RISWUCQLDCRXSR-KRWDZBQOSA-N 2 1 300.406 2.658 20 0 DFADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2cccc(C)c2)n1C ZINC000668160734 543754353 /nfs/dbraw/zinc/75/43/53/543754353.db2.gz DNJYDRUYBJVUEU-UHFFFAOYSA-N 2 1 300.450 2.601 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)C1 ZINC000668490459 543814085 /nfs/dbraw/zinc/81/40/85/543814085.db2.gz WMCALOZCGPVJKA-GOSISDBHSA-N 2 1 300.446 2.676 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CSC3)C3(CCC3)C2)cc1 ZINC000668713312 543852090 /nfs/dbraw/zinc/85/20/90/543852090.db2.gz MKJVPGWXINGLOF-MRXNPFEDSA-N 2 1 302.487 2.994 20 0 DFADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)C1 ZINC000668740614 543859084 /nfs/dbraw/zinc/85/90/84/543859084.db2.gz WNPFKNVEGPCFEZ-FQEVSTJZSA-N 2 1 314.473 2.596 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccc4c(c3)CCCC4)CC2)C1 ZINC000668740614 543859085 /nfs/dbraw/zinc/85/90/85/543859085.db2.gz WNPFKNVEGPCFEZ-FQEVSTJZSA-N 2 1 314.473 2.596 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740859 543859591 /nfs/dbraw/zinc/85/95/91/543859591.db2.gz XVUUQNWZQBTCSF-HNAYVOBHSA-N 2 1 320.452 2.678 20 0 DFADMP C[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000668785267 543866818 /nfs/dbraw/zinc/86/68/18/543866818.db2.gz OZGISHTVGQRCAC-QAPCUYQASA-N 2 1 308.441 2.972 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000668785855 543867450 /nfs/dbraw/zinc/86/74/50/543867450.db2.gz ZIGLXGSDYJAWQA-GUDVDZBRSA-N 2 1 302.462 2.833 20 0 DFADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000669621114 543976708 /nfs/dbraw/zinc/97/67/08/543976708.db2.gz GYLLIHSYBHXUNH-CRAIPNDOSA-N 2 1 306.450 2.626 20 0 DFADMP C[NH+]1CCC(Oc2ccc(C[NH2+]Cc3nccs3)cc2)CC1 ZINC000671194608 544059959 /nfs/dbraw/zinc/05/99/59/544059959.db2.gz NJPIXGIUFSCSTJ-UHFFFAOYSA-N 2 1 317.458 2.906 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000671748411 544105875 /nfs/dbraw/zinc/10/58/75/544105875.db2.gz GUPFXFHBTVIOPA-XOYOTBSWSA-N 2 1 316.445 2.981 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672619021 544143845 /nfs/dbraw/zinc/14/38/45/544143845.db2.gz HYJFQXGLFMEZMG-USXIJHARSA-N 2 1 308.853 2.632 20 0 DFADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000297364977 227069162 /nfs/dbraw/zinc/06/91/62/227069162.db2.gz GCHCJZLHWZIBQH-QGZVFWFLSA-N 2 1 308.853 2.764 20 0 DFADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000297364972 227070374 /nfs/dbraw/zinc/07/03/74/227070374.db2.gz GCHCJZLHWZIBQH-KRWDZBQOSA-N 2 1 308.853 2.764 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)C1 ZINC000673600071 544186225 /nfs/dbraw/zinc/18/62/25/544186225.db2.gz MDXSQUJSAFPEQI-INIZCTEOSA-N 2 1 312.461 2.942 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)C1 ZINC000673600071 544186227 /nfs/dbraw/zinc/18/62/27/544186227.db2.gz MDXSQUJSAFPEQI-INIZCTEOSA-N 2 1 312.461 2.942 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716207 544193605 /nfs/dbraw/zinc/19/36/05/544193605.db2.gz SCNQIQBNJGUHES-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716207 544193607 /nfs/dbraw/zinc/19/36/07/544193607.db2.gz SCNQIQBNJGUHES-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716207 544193610 /nfs/dbraw/zinc/19/36/10/544193610.db2.gz SCNQIQBNJGUHES-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000673749907 544195853 /nfs/dbraw/zinc/19/58/53/544195853.db2.gz QZWNSKZQUGKYJV-CVEARBPZSA-N 2 1 323.868 2.543 20 0 DFADMP COC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccco1 ZINC000673811132 544200023 /nfs/dbraw/zinc/20/00/23/544200023.db2.gz FMUOMRNHPHDVGD-QGZVFWFLSA-N 2 1 318.417 2.697 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259344 222265606 /nfs/dbraw/zinc/26/56/06/222265606.db2.gz WTZXQRDOOPXXGV-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259344 222265610 /nfs/dbraw/zinc/26/56/10/222265610.db2.gz WTZXQRDOOPXXGV-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000674245540 544225981 /nfs/dbraw/zinc/22/59/81/544225981.db2.gz PIWXWJYUDUWNEW-HOTGVXAUSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)[NH+](C)C ZINC000674245448 544226195 /nfs/dbraw/zinc/22/61/95/544226195.db2.gz MUIFOMVZROCKSC-GJZGRUSLSA-N 2 1 303.450 2.807 20 0 DFADMP C[C@@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000674245084 544226336 /nfs/dbraw/zinc/22/63/36/544226336.db2.gz BIBSTKAUMACIKG-XJKSGUPXSA-N 2 1 323.868 2.543 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000674365111 544236042 /nfs/dbraw/zinc/23/60/42/544236042.db2.gz HQAHSRMEFAALOT-MSOLQXFVSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000674365112 544236174 /nfs/dbraw/zinc/23/61/74/544236174.db2.gz HQAHSRMEFAALOT-QZTJIDSGSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000674844385 544268750 /nfs/dbraw/zinc/26/87/50/544268750.db2.gz MYNJVEXZWCDRIO-CGTJXYLNSA-N 2 1 317.477 2.526 20 0 DFADMP CN(C)Cc1ccsc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000674877391 544272477 /nfs/dbraw/zinc/27/24/77/544272477.db2.gz RCKUNTYWJTYHFT-GJZGRUSLSA-N 2 1 321.490 2.509 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000674877391 544272480 /nfs/dbraw/zinc/27/24/80/544272480.db2.gz RCKUNTYWJTYHFT-GJZGRUSLSA-N 2 1 321.490 2.509 20 0 DFADMP CCCc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000675472100 544314167 /nfs/dbraw/zinc/31/41/67/544314167.db2.gz UOVCAFWJSLNTEN-UHFFFAOYSA-N 2 1 315.505 2.853 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000675767377 544334891 /nfs/dbraw/zinc/33/48/91/544334891.db2.gz SOMWEZOGPYMKTN-LULLPPNCSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H](O)C1 ZINC000675767377 544334892 /nfs/dbraw/zinc/33/48/92/544334892.db2.gz SOMWEZOGPYMKTN-LULLPPNCSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](Cc1cccs1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883268 544341256 /nfs/dbraw/zinc/34/12/56/544341256.db2.gz ZGSUMPWRSZCOQV-GDBMZVCRSA-N 2 1 308.491 2.912 20 0 DFADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C(C)(C)O1 ZINC000675882346 544341342 /nfs/dbraw/zinc/34/13/42/544341342.db2.gz RABHVVPHNHDADB-HOTGVXAUSA-N 2 1 310.482 2.566 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000676222405 544364433 /nfs/dbraw/zinc/36/44/33/544364433.db2.gz MSOGLSIAJLPTEM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000676222405 544364436 /nfs/dbraw/zinc/36/44/36/544364436.db2.gz MSOGLSIAJLPTEM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000676222405 544364437 /nfs/dbraw/zinc/36/44/37/544364437.db2.gz MSOGLSIAJLPTEM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000676709686 544394473 /nfs/dbraw/zinc/39/44/73/544394473.db2.gz SWORPMPABBIWRB-KRWDZBQOSA-N 2 1 316.493 2.633 20 0 DFADMP Cc1nc([C@@H](C)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676490649 544379346 /nfs/dbraw/zinc/37/93/46/544379346.db2.gz QLBYIFBYASKDHG-FRRDWIJNSA-N 2 1 311.495 2.910 20 0 DFADMP Cc1nc([C@@H](C)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676490649 544379348 /nfs/dbraw/zinc/37/93/48/544379348.db2.gz QLBYIFBYASKDHG-FRRDWIJNSA-N 2 1 311.495 2.910 20 0 DFADMP CC(C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000677238247 544456936 /nfs/dbraw/zinc/45/69/36/544456936.db2.gz ZTGIMOSBJNEWRT-HOTGVXAUSA-N 2 1 316.445 2.909 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccn(C)n2)C[N@H+]1Cc1ccccc1 ZINC000677129235 544438377 /nfs/dbraw/zinc/43/83/77/544438377.db2.gz OMJTVSLJHOZJQN-WMZOPIPTSA-N 2 1 312.461 2.810 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677241551 544457163 /nfs/dbraw/zinc/45/71/63/544457163.db2.gz QLWFIOAXDOAKSW-CPUCHLNUSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677241551 544457166 /nfs/dbraw/zinc/45/71/66/544457166.db2.gz QLWFIOAXDOAKSW-CPUCHLNUSA-N 2 1 302.418 2.735 20 0 DFADMP C[C@H]1CC[N@H+](CCN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749508 544535887 /nfs/dbraw/zinc/53/58/87/544535887.db2.gz KFBXRZGFQMLKNA-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CC[N@@H+](CCN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749508 544535889 /nfs/dbraw/zinc/53/58/89/544535889.db2.gz KFBXRZGFQMLKNA-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CC[NH+](CCN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749508 544535892 /nfs/dbraw/zinc/53/58/92/544535892.db2.gz KFBXRZGFQMLKNA-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CC[NH+](CCN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749508 544535896 /nfs/dbraw/zinc/53/58/96/544535896.db2.gz KFBXRZGFQMLKNA-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804313 544543230 /nfs/dbraw/zinc/54/32/30/544543230.db2.gz FBHQKDFGUGHOAP-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000677818559 544546046 /nfs/dbraw/zinc/54/60/46/544546046.db2.gz RMKXJGFUFXJJRQ-QZTJIDSGSA-N 2 1 310.445 2.650 20 0 DFADMP CCC[C@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)[NH+](C)C ZINC000677871222 544554328 /nfs/dbraw/zinc/55/43/28/544554328.db2.gz JVMWPCFNGBMNKV-QGZVFWFLSA-N 2 1 314.433 2.527 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000443006334 297213044 /nfs/dbraw/zinc/21/30/44/297213044.db2.gz WVWZIIVNXBZIHU-OAHLLOKOSA-N 2 1 316.367 2.560 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259013 544635014 /nfs/dbraw/zinc/63/50/14/544635014.db2.gz VRCNWWVKPMDVIC-ZWKOTPCHSA-N 2 1 307.526 2.915 20 0 DFADMP CC[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000678258766 544635580 /nfs/dbraw/zinc/63/55/80/544635580.db2.gz MQAFYBPPYBCRSO-QUCCMNQESA-N 2 1 315.505 2.892 20 0 DFADMP C[NH+](C)CCC1CC[NH+](Cc2cn3cccc(F)c3n2)CC1 ZINC000678208502 544619784 /nfs/dbraw/zinc/61/97/84/544619784.db2.gz PWYJZRMKABELNZ-UHFFFAOYSA-N 2 1 304.413 2.637 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060705 297214499 /nfs/dbraw/zinc/21/44/99/297214499.db2.gz PRKSPCJOFSFSLG-STQMWFEESA-N 2 1 309.841 2.728 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000678837118 544733298 /nfs/dbraw/zinc/73/32/98/544733298.db2.gz PNNYFFOIEAFETD-AWEZNQCLSA-N 2 1 323.506 2.565 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000678837118 544733301 /nfs/dbraw/zinc/73/33/01/544733301.db2.gz PNNYFFOIEAFETD-AWEZNQCLSA-N 2 1 323.506 2.565 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000678608513 544702392 /nfs/dbraw/zinc/70/23/92/544702392.db2.gz XIJGQMNAVOENLF-LZQZEXGQSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000678608513 544702397 /nfs/dbraw/zinc/70/23/97/544702397.db2.gz XIJGQMNAVOENLF-LZQZEXGQSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060705 297214497 /nfs/dbraw/zinc/21/44/97/297214497.db2.gz PRKSPCJOFSFSLG-STQMWFEESA-N 2 1 309.841 2.728 20 0 DFADMP Cc1nn(C)c2ncc(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc12 ZINC000678936719 544753030 /nfs/dbraw/zinc/75/30/30/544753030.db2.gz VIWQSIWEAHRKIE-UHFFFAOYSA-N 2 1 317.481 2.875 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(-n2cccn2)cc1 ZINC000679024945 544769911 /nfs/dbraw/zinc/76/99/11/544769911.db2.gz GLAFZXXVSHSFDJ-GOEBONIOSA-N 2 1 307.401 2.734 20 0 DFADMP Cc1ccc(C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C(C)C)cc1 ZINC000679037555 544772719 /nfs/dbraw/zinc/77/27/19/544772719.db2.gz VXXHCCHBQOPAEX-LJQANCHMSA-N 2 1 304.478 2.608 20 0 DFADMP OCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000679395445 544848694 /nfs/dbraw/zinc/84/86/94/544848694.db2.gz XGCPXLCSUVLNIE-NNZMDNLPSA-N 2 1 300.446 2.544 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCCCO)CCCC2)CC1 ZINC000679340681 544837496 /nfs/dbraw/zinc/83/74/96/544837496.db2.gz GZPFOPKDZNVRPU-INIZCTEOSA-N 2 1 312.498 2.551 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000679398128 544849534 /nfs/dbraw/zinc/84/95/34/544849534.db2.gz HTUUGROONGHJSX-NNZMDNLPSA-N 2 1 302.462 2.790 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)o1 ZINC000679663430 544893487 /nfs/dbraw/zinc/89/34/87/544893487.db2.gz YNPZJHZFPUPLEB-CQSZACIVSA-N 2 1 319.449 2.502 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679720573 544905725 /nfs/dbraw/zinc/90/57/25/544905725.db2.gz CMUXHTYFFGSQOB-CEXWTWQISA-N 2 1 316.489 2.895 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000679903734 544924181 /nfs/dbraw/zinc/92/41/81/544924181.db2.gz NAOPDPLRISHSGS-UONOGXRCSA-N 2 1 309.417 2.685 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000680327817 544990945 /nfs/dbraw/zinc/99/09/45/544990945.db2.gz WVEJZMPQEDSVGN-OAHLLOKOSA-N 2 1 322.416 2.678 20 0 DFADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000680377997 545001647 /nfs/dbraw/zinc/00/16/47/545001647.db2.gz CRHSCRHAUPEQKC-NUJGCVRESA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000680377997 545001649 /nfs/dbraw/zinc/00/16/49/545001649.db2.gz CRHSCRHAUPEQKC-NUJGCVRESA-N 2 1 304.478 2.894 20 0 DFADMP Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302472569 230257695 /nfs/dbraw/zinc/25/76/95/230257695.db2.gz DECDUDPWQSBROB-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000063465151 425900664 /nfs/dbraw/zinc/90/06/64/425900664.db2.gz IYJFNVMUKOVDES-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[NH+](C3CCCC3)CC2)c1C ZINC000067226913 425909264 /nfs/dbraw/zinc/90/92/64/425909264.db2.gz IRLVGGHYEFAVET-UHFFFAOYSA-N 2 1 303.450 2.767 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000155663553 425923634 /nfs/dbraw/zinc/92/36/34/425923634.db2.gz ILAPZEAUFIEXFX-YOEHRIQHSA-N 2 1 305.466 2.516 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155921580 425929760 /nfs/dbraw/zinc/92/97/60/425929760.db2.gz GAFYSYDFSYTJDD-JKSUJKDBSA-N 2 1 317.477 2.598 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH2+]C2CCCC2)CC1 ZINC000156382835 425933089 /nfs/dbraw/zinc/93/30/89/425933089.db2.gz YACARTPGUBLAPN-SFHVURJKSA-N 2 1 321.509 2.773 20 0 DFADMP C[N@@H+](CCOc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000036300447 425845504 /nfs/dbraw/zinc/84/55/04/425845504.db2.gz PKEDVPAKEXTRFX-UHFFFAOYSA-N 2 1 313.239 2.512 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000044514097 425856776 /nfs/dbraw/zinc/85/67/76/425856776.db2.gz VPAPRRXHUYLKAM-UHFFFAOYSA-N 2 1 306.797 2.561 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000044533887 425856953 /nfs/dbraw/zinc/85/69/53/425856953.db2.gz SFLGFLZBZCAEDO-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCC[C@@H](C)C2)o1 ZINC000046879647 425866769 /nfs/dbraw/zinc/86/67/69/425866769.db2.gz LTEABTJHQZHYBF-OAHLLOKOSA-N 2 1 321.465 2.583 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3occc32)CC1 ZINC000192829322 268049703 /nfs/dbraw/zinc/04/97/03/268049703.db2.gz RXISFJWMYNUJBR-KRWDZBQOSA-N 2 1 305.466 2.520 20 0 DFADMP CSc1ccccc1[C@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000194862733 268119160 /nfs/dbraw/zinc/11/91/60/268119160.db2.gz AGSLLCKEVZWZAJ-AWEZNQCLSA-N 2 1 308.491 2.906 20 0 DFADMP COc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000258864522 268168617 /nfs/dbraw/zinc/16/86/17/268168617.db2.gz AICJJCHVFPIBGN-NSHDSACASA-N 2 1 313.239 2.547 20 0 DFADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268853594 268185877 /nfs/dbraw/zinc/18/58/77/268185877.db2.gz QIQNZJXZPPPASI-AEFFLSMTSA-N 2 1 320.477 2.829 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000270910285 268233703 /nfs/dbraw/zinc/23/37/03/268233703.db2.gz SSVZHWHYJFKZON-AWEZNQCLSA-N 2 1 305.809 2.998 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@H](Oc2ccccc2Cl)C1 ZINC000270910285 268233707 /nfs/dbraw/zinc/23/37/07/268233707.db2.gz SSVZHWHYJFKZON-AWEZNQCLSA-N 2 1 305.809 2.998 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000272870279 268253483 /nfs/dbraw/zinc/25/34/83/268253483.db2.gz LUNAUKVZLNLMJK-UHFFFAOYSA-N 2 1 319.478 2.687 20 0 DFADMP C[C@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000298083748 268312833 /nfs/dbraw/zinc/31/28/33/268312833.db2.gz MEIYIVKJVPAAQU-YLJYHZDGSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CC2)C1 ZINC000298083748 268312835 /nfs/dbraw/zinc/31/28/35/268312835.db2.gz MEIYIVKJVPAAQU-YLJYHZDGSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CC2)C1 ZINC000298083748 268312836 /nfs/dbraw/zinc/31/28/36/268312836.db2.gz MEIYIVKJVPAAQU-YLJYHZDGSA-N 2 1 313.489 2.677 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000298708972 268317189 /nfs/dbraw/zinc/31/71/89/268317189.db2.gz SSBAFYCUWCBVMY-HNNXBMFYSA-N 2 1 314.433 2.897 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157272330 425938125 /nfs/dbraw/zinc/93/81/25/425938125.db2.gz MVHOMUUMJZCJSP-AWEZNQCLSA-N 2 1 308.388 2.906 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Cl ZINC000320836811 268348324 /nfs/dbraw/zinc/34/83/24/268348324.db2.gz GKVCHCIOYRMRAQ-OKILXGFUSA-N 2 1 321.852 2.518 20 0 DFADMP CON1CCC([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000323476839 268350101 /nfs/dbraw/zinc/35/01/01/268350101.db2.gz KZSOUEYSDCWUHY-AEFFLSMTSA-N 2 1 317.477 2.512 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000323764752 268350350 /nfs/dbraw/zinc/35/03/50/268350350.db2.gz XBJLYDWDPCLYJV-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1Br ZINC000049554033 425879855 /nfs/dbraw/zinc/87/98/55/425879855.db2.gz JDKNDZHPRNJBRP-NSHDSACASA-N 2 1 315.255 2.888 20 0 DFADMP COC(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158844159 425948272 /nfs/dbraw/zinc/94/82/72/425948272.db2.gz HJIPAXNXWIRLRU-INIZCTEOSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cncn2C)CC1 ZINC000158883767 425949364 /nfs/dbraw/zinc/94/93/64/425949364.db2.gz TXLWWDHGRXKQFP-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000158971310 425951381 /nfs/dbraw/zinc/95/13/81/425951381.db2.gz WTTBMLOZKOXUAE-LZWOXQAQSA-N 2 1 323.506 2.587 20 0 DFADMP Cc1cccc(C[NH+]2CCC([NH2+][C@@H](C)[C@H]3CCOC3)CC2)c1 ZINC000159327504 425958021 /nfs/dbraw/zinc/95/80/21/425958021.db2.gz VYPVOVCDIZKXBY-WMZOPIPTSA-N 2 1 302.462 2.974 20 0 DFADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCCOC)cc2)CC1 ZINC000125275618 425963135 /nfs/dbraw/zinc/96/31/35/425963135.db2.gz KTFXOFONPVWHSX-UHFFFAOYSA-N 2 1 306.450 2.628 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCCOC)cc2)CC1 ZINC000125275618 425963136 /nfs/dbraw/zinc/96/31/36/425963136.db2.gz KTFXOFONPVWHSX-UHFFFAOYSA-N 2 1 306.450 2.628 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000105896376 425969142 /nfs/dbraw/zinc/96/91/42/425969142.db2.gz XBGXNBMIWXSVAL-INIZCTEOSA-N 2 1 320.481 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C(C)C)C(C)C)C1 ZINC000105896376 425969144 /nfs/dbraw/zinc/96/91/44/425969144.db2.gz XBGXNBMIWXSVAL-INIZCTEOSA-N 2 1 320.481 2.728 20 0 DFADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+](C)C ZINC000106432339 425973115 /nfs/dbraw/zinc/97/31/15/425973115.db2.gz UOKQRWIQHCDNOQ-SFHVURJKSA-N 2 1 319.493 2.729 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000125508492 425975841 /nfs/dbraw/zinc/97/58/41/425975841.db2.gz DLDHXZYYHYJTBZ-HNNXBMFYSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000125508492 425975844 /nfs/dbraw/zinc/97/58/44/425975844.db2.gz DLDHXZYYHYJTBZ-HNNXBMFYSA-N 2 1 322.453 2.571 20 0 DFADMP c1nc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000108942025 426024645 /nfs/dbraw/zinc/02/46/45/426024645.db2.gz BCWIXZNEJXRVNQ-UHFFFAOYSA-N 2 1 301.459 2.940 20 0 DFADMP CCC[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+](C)C ZINC000161611972 426032260 /nfs/dbraw/zinc/03/22/60/426032260.db2.gz IVYOYCGLSIBJEK-SFHVURJKSA-N 2 1 319.493 2.873 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000126707220 426032686 /nfs/dbraw/zinc/03/26/86/426032686.db2.gz MJFZZMBKGQTRRO-YOEHRIQHSA-N 2 1 309.417 2.930 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000161632560 426033268 /nfs/dbraw/zinc/03/32/68/426033268.db2.gz PNXOTNNCDGPZSQ-SPLOXXLWSA-N 2 1 308.491 2.949 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000126742574 426034886 /nfs/dbraw/zinc/03/48/86/426034886.db2.gz FYYQKQONPVAQDA-IBGZPJMESA-N 2 1 301.478 2.712 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCC(=O)N(C)C)cc1 ZINC000161849406 426042609 /nfs/dbraw/zinc/04/26/09/426042609.db2.gz DGZNCXLZXPBSQC-AWEZNQCLSA-N 2 1 314.433 2.700 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCCN(CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000161901772 426045159 /nfs/dbraw/zinc/04/51/59/426045159.db2.gz YIBRKOWHOUOLHQ-MOPGFXCFSA-N 2 1 307.526 2.915 20 0 DFADMP c1nnc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1C1CC1 ZINC000161960445 426047006 /nfs/dbraw/zinc/04/70/06/426047006.db2.gz VBNFSIUXJLHLQZ-MRXNPFEDSA-N 2 1 317.481 2.668 20 0 DFADMP c1nnc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1C1CC1 ZINC000161960445 426047008 /nfs/dbraw/zinc/04/70/08/426047008.db2.gz VBNFSIUXJLHLQZ-MRXNPFEDSA-N 2 1 317.481 2.668 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161979910 426048194 /nfs/dbraw/zinc/04/81/94/426048194.db2.gz BHSMQNZZOFSJLO-GOSISDBHSA-N 2 1 304.482 2.922 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161979910 426048196 /nfs/dbraw/zinc/04/81/96/426048196.db2.gz BHSMQNZZOFSJLO-GOSISDBHSA-N 3 1 304.482 2.922 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000161979910 426048197 /nfs/dbraw/zinc/04/81/97/426048197.db2.gz BHSMQNZZOFSJLO-GOSISDBHSA-N 3 1 304.482 2.922 20 0 DFADMP C[C@@H]([NH2+]Cc1cscn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000127282350 426059486 /nfs/dbraw/zinc/05/94/86/426059486.db2.gz YDJXPGKQMAABDM-CYBMUJFWSA-N 2 1 305.447 2.934 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@H]1CCc2ccccc21 ZINC000163117300 426089441 /nfs/dbraw/zinc/08/94/41/426089441.db2.gz PIYUPWCKZNOSMG-IBGZPJMESA-N 2 1 313.445 2.954 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@H]1CCc2ccccc21 ZINC000163117300 426089445 /nfs/dbraw/zinc/08/94/45/426089445.db2.gz PIYUPWCKZNOSMG-IBGZPJMESA-N 2 1 313.445 2.954 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000163223504 426093130 /nfs/dbraw/zinc/09/31/30/426093130.db2.gz DZPXPUAGGRHCAQ-WMLDXEAASA-N 2 1 304.434 2.840 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccccc2OC)C1 ZINC000076002921 426094090 /nfs/dbraw/zinc/09/40/90/426094090.db2.gz SFNVYWZGKRTBAT-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccccc2OC)C1 ZINC000076002921 426094091 /nfs/dbraw/zinc/09/40/91/426094091.db2.gz SFNVYWZGKRTBAT-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H](CNc2cccc(C)n2)C1 ZINC000163461514 426100327 /nfs/dbraw/zinc/10/03/27/426100327.db2.gz XRTAKXWBDZGJEQ-QGZVFWFLSA-N 2 1 313.449 2.719 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163461514 426100330 /nfs/dbraw/zinc/10/03/30/426100330.db2.gz XRTAKXWBDZGJEQ-QGZVFWFLSA-N 3 1 313.449 2.719 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000163461514 426100333 /nfs/dbraw/zinc/10/03/33/426100333.db2.gz XRTAKXWBDZGJEQ-QGZVFWFLSA-N 3 1 313.449 2.719 20 0 DFADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)[C@H]1CCOC1 ZINC000128208048 426106953 /nfs/dbraw/zinc/10/69/53/426106953.db2.gz AYGUEUXAJPKUMF-DOTOQJQBSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000164570795 426116045 /nfs/dbraw/zinc/11/60/45/426116045.db2.gz JUYXJSQSQLPRNF-BBRMVZONSA-N 2 1 319.474 2.662 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000164570795 426116047 /nfs/dbraw/zinc/11/60/47/426116047.db2.gz JUYXJSQSQLPRNF-BBRMVZONSA-N 2 1 319.474 2.662 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000128421039 426116175 /nfs/dbraw/zinc/11/61/75/426116175.db2.gz QIGOUKASPJXTSO-CQSZACIVSA-N 2 1 312.841 2.916 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000128421039 426116177 /nfs/dbraw/zinc/11/61/77/426116177.db2.gz QIGOUKASPJXTSO-CQSZACIVSA-N 2 1 312.841 2.916 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccccc1Cl ZINC000128471943 426119097 /nfs/dbraw/zinc/11/90/97/426119097.db2.gz OBFSIZCQEHKSOW-CQSZACIVSA-N 2 1 311.857 2.974 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1)C(C)C ZINC000128497569 426120765 /nfs/dbraw/zinc/12/07/65/426120765.db2.gz CJDLJJTYTNMXTJ-QZTJIDSGSA-N 2 1 317.477 2.917 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165330305 426121896 /nfs/dbraw/zinc/12/18/96/426121896.db2.gz IYWKNFMDDTWMDR-UFYCRDLUSA-N 2 1 316.489 2.956 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165299021 426121927 /nfs/dbraw/zinc/12/19/27/426121927.db2.gz NADBBPJWJOTMEA-WDSOQIARSA-N 2 1 302.462 2.566 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC000165329925 426122588 /nfs/dbraw/zinc/12/25/88/426122588.db2.gz IDLCDQKPUQEHLV-MOPGFXCFSA-N 2 1 304.478 2.812 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000165629179 426123367 /nfs/dbraw/zinc/12/33/67/426123367.db2.gz JCWOKPLSMXLYPS-LBTNJELSSA-N 2 1 303.450 2.506 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[C@H](C)C1 ZINC000165416605 426123617 /nfs/dbraw/zinc/12/36/17/426123617.db2.gz GELXSTLMFXDLPQ-DVOMOZLQSA-N 2 1 304.438 2.558 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000166047265 426126320 /nfs/dbraw/zinc/12/63/20/426126320.db2.gz VQKMTFKOQQYMSW-YJBOKZPZSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000165998202 426126394 /nfs/dbraw/zinc/12/63/94/426126394.db2.gz QNPQXRZLTSXLGX-ROUUACIJSA-N 2 1 317.477 2.661 20 0 DFADMP CC[C@@H](CCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000166787719 426129743 /nfs/dbraw/zinc/12/97/43/426129743.db2.gz VRODHLXWJSGFRD-INIZCTEOSA-N 2 1 322.468 2.831 20 0 DFADMP C[C@H](C[NH2+]Cc1cncc(Br)c1)C[NH+]1CCCC1 ZINC000166895241 426130048 /nfs/dbraw/zinc/13/00/48/426130048.db2.gz NNFZIOQBAIIEKA-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128720305 426130748 /nfs/dbraw/zinc/13/07/48/426130748.db2.gz ATSNCFSQZYBDEL-BEFAXECRSA-N 2 1 319.468 2.676 20 0 DFADMP COCCOc1cc(C)ccc1CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000167635575 426133708 /nfs/dbraw/zinc/13/37/08/426133708.db2.gz GBOUKCCCKFIMDE-LZLYRXPVSA-N 2 1 320.477 2.839 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000167635575 426133711 /nfs/dbraw/zinc/13/37/11/426133711.db2.gz GBOUKCCCKFIMDE-LZLYRXPVSA-N 2 1 320.477 2.839 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000114479358 426137206 /nfs/dbraw/zinc/13/72/06/426137206.db2.gz VPSFBDKUZSRMHO-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000114479358 426137210 /nfs/dbraw/zinc/13/72/10/426137210.db2.gz VPSFBDKUZSRMHO-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000162795742 426077572 /nfs/dbraw/zinc/07/75/72/426077572.db2.gz MIYALVSXHXSHMJ-IAGOWNOFSA-N 2 1 323.506 2.958 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000162795742 426077573 /nfs/dbraw/zinc/07/75/73/426077573.db2.gz MIYALVSXHXSHMJ-IAGOWNOFSA-N 2 1 323.506 2.958 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162917918 426083043 /nfs/dbraw/zinc/08/30/43/426083043.db2.gz PUODEXNYOHJQKR-APWZRJJASA-N 2 1 301.478 2.712 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000162917918 426083046 /nfs/dbraw/zinc/08/30/46/426083046.db2.gz PUODEXNYOHJQKR-APWZRJJASA-N 2 1 301.478 2.712 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000163005645 426086098 /nfs/dbraw/zinc/08/60/98/426086098.db2.gz SLACMWFQAIPPME-RVKKMQEKSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130389847 426157573 /nfs/dbraw/zinc/15/75/73/426157573.db2.gz NCNNQFPUIAGKBY-MDZRGWNJSA-N 2 1 312.461 2.733 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc(Br)c1 ZINC000131891096 426167473 /nfs/dbraw/zinc/16/74/73/426167473.db2.gz RJDULYZQLAYLKZ-AAEUAGOBSA-N 2 1 313.239 2.640 20 0 DFADMP O[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000078624738 426177807 /nfs/dbraw/zinc/17/78/07/426177807.db2.gz WDFRWHHZJRKPHL-NRFANRHFSA-N 2 1 324.468 2.844 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078704533 426181707 /nfs/dbraw/zinc/18/17/07/426181707.db2.gz NKWQVQVRQCQJPP-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078704533 426181710 /nfs/dbraw/zinc/18/17/10/426181710.db2.gz NKWQVQVRQCQJPP-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000078704533 426181713 /nfs/dbraw/zinc/18/17/13/426181713.db2.gz NKWQVQVRQCQJPP-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000078704533 426181715 /nfs/dbraw/zinc/18/17/15/426181715.db2.gz NKWQVQVRQCQJPP-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000134068224 426185329 /nfs/dbraw/zinc/18/53/29/426185329.db2.gz JRHBUOZBHDNCLJ-QRQLOZEOSA-N 2 1 301.478 2.896 20 0 DFADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000116281095 426186795 /nfs/dbraw/zinc/18/67/95/426186795.db2.gz YATPUHLHCDPHJX-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000116281095 426186796 /nfs/dbraw/zinc/18/67/96/426186796.db2.gz YATPUHLHCDPHJX-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000116281095 426186799 /nfs/dbraw/zinc/18/67/99/426186799.db2.gz YATPUHLHCDPHJX-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000116392543 426188971 /nfs/dbraw/zinc/18/89/71/426188971.db2.gz DXVKKPWTNSPWEV-SFHVURJKSA-N 2 1 323.525 2.881 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171502481 426191176 /nfs/dbraw/zinc/19/11/76/426191176.db2.gz QIMQVDFLYWAJIR-KRWDZBQOSA-N 2 1 310.482 2.918 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000171502481 426191178 /nfs/dbraw/zinc/19/11/78/426191178.db2.gz QIMQVDFLYWAJIR-KRWDZBQOSA-N 2 1 310.482 2.918 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000079461952 426193496 /nfs/dbraw/zinc/19/34/96/426193496.db2.gz HIQJSEDGURJEEI-CRAIPNDOSA-N 2 1 302.462 2.826 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000079461952 426193498 /nfs/dbraw/zinc/19/34/98/426193498.db2.gz HIQJSEDGURJEEI-CRAIPNDOSA-N 2 1 302.462 2.826 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000079461952 426193500 /nfs/dbraw/zinc/19/35/00/426193500.db2.gz HIQJSEDGURJEEI-CRAIPNDOSA-N 2 1 302.462 2.826 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000079462352 426193943 /nfs/dbraw/zinc/19/39/43/426193943.db2.gz LTWIQESEVCRGTP-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000079462352 426193946 /nfs/dbraw/zinc/19/39/46/426193946.db2.gz LTWIQESEVCRGTP-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000079462352 426193948 /nfs/dbraw/zinc/19/39/48/426193948.db2.gz LTWIQESEVCRGTP-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000079462352 426193949 /nfs/dbraw/zinc/19/39/49/426193949.db2.gz LTWIQESEVCRGTP-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP c1ccc(CN2CCO[C@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000134862923 426197186 /nfs/dbraw/zinc/19/71/86/426197186.db2.gz LYGHVRKTWSVOBG-MRXNPFEDSA-N 2 1 322.412 2.876 20 0 DFADMP COC(=O)c1occc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134890894 426198562 /nfs/dbraw/zinc/19/85/62/426198562.db2.gz RMVITOPZMMRGHS-CJNGLKHVSA-N 2 1 318.417 2.515 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000081095521 426219770 /nfs/dbraw/zinc/21/97/70/426219770.db2.gz NBWNCCSMPUGYJC-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000081095521 426219774 /nfs/dbraw/zinc/21/97/74/426219774.db2.gz NBWNCCSMPUGYJC-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000081095521 426219775 /nfs/dbraw/zinc/21/97/75/426219775.db2.gz NBWNCCSMPUGYJC-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000172413037 426226195 /nfs/dbraw/zinc/22/61/95/426226195.db2.gz MTQUGIPSIXHTBX-BBWFWOEESA-N 2 1 321.509 2.725 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000172413037 426226199 /nfs/dbraw/zinc/22/61/99/426226199.db2.gz MTQUGIPSIXHTBX-BBWFWOEESA-N 2 1 321.509 2.725 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042208 426274034 /nfs/dbraw/zinc/27/40/34/426274034.db2.gz AFPGZNNXZCTOLM-INMHGKMJSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042208 426274037 /nfs/dbraw/zinc/27/40/37/426274037.db2.gz AFPGZNNXZCTOLM-INMHGKMJSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042314 426274054 /nfs/dbraw/zinc/27/40/54/426274054.db2.gz AFPGZNNXZCTOLM-BFYDXBDKSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042314 426274055 /nfs/dbraw/zinc/27/40/55/426274055.db2.gz AFPGZNNXZCTOLM-BFYDXBDKSA-N 2 1 302.466 2.500 20 0 DFADMP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(-c2ccnn2C)c1 ZINC000338945452 268744199 /nfs/dbraw/zinc/74/41/99/268744199.db2.gz DAPZDKDDHGWCAF-UHFFFAOYSA-N 2 1 312.461 2.922 20 0 DFADMP CC(C)[NH+](CCCNC(=O)C[N@H+](C)Cc1ccccc1)C(C)C ZINC000173605622 426243968 /nfs/dbraw/zinc/24/39/68/426243968.db2.gz PKYOXDFFAUFCRU-UHFFFAOYSA-N 2 1 319.493 2.744 20 0 DFADMP CC(C)[NH+](CCCNC(=O)C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000173605622 426243971 /nfs/dbraw/zinc/24/39/71/426243971.db2.gz PKYOXDFFAUFCRU-UHFFFAOYSA-N 2 1 319.493 2.744 20 0 DFADMP CC[N@H+]1CC[C@@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000118962614 426251923 /nfs/dbraw/zinc/25/19/23/426251923.db2.gz PQIPJPJESQSSIA-QRQLOZEOSA-N 2 1 303.494 2.918 20 0 DFADMP C[N@H+](Cc1ccc(Br)s1)CC1CC[NH2+]CC1 ZINC000086701756 426259831 /nfs/dbraw/zinc/25/98/31/426259831.db2.gz PCCYESYQLYLALN-UHFFFAOYSA-N 2 1 303.269 2.942 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903523 426268008 /nfs/dbraw/zinc/26/80/08/426268008.db2.gz NHEWQIQGCLMXTQ-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903523 426268012 /nfs/dbraw/zinc/26/80/12/426268012.db2.gz NHEWQIQGCLMXTQ-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174961430 426270894 /nfs/dbraw/zinc/27/08/94/426270894.db2.gz PYVPQBQBZSPXGN-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174961430 426270898 /nfs/dbraw/zinc/27/08/98/426270898.db2.gz PYVPQBQBZSPXGN-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174961430 426270901 /nfs/dbraw/zinc/27/09/01/426270901.db2.gz PYVPQBQBZSPXGN-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@](C)(O)c2ccccc2)C1 ZINC000119436599 426289099 /nfs/dbraw/zinc/28/90/99/426289099.db2.gz SIKMPVUHOUACIA-APWZRJJASA-N 2 1 313.445 2.582 20 0 DFADMP CC(C)(C)OC(=O)[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000119513756 426293373 /nfs/dbraw/zinc/29/33/73/426293373.db2.gz CPVOSVUPNQEYGC-INIZCTEOSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)(C)OC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000119513756 426293376 /nfs/dbraw/zinc/29/33/76/426293376.db2.gz CPVOSVUPNQEYGC-INIZCTEOSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000119600647 426299935 /nfs/dbraw/zinc/29/99/35/426299935.db2.gz AHSBVDMFGBCSNF-JFRXWTBNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000119600647 426299939 /nfs/dbraw/zinc/29/99/39/426299939.db2.gz AHSBVDMFGBCSNF-JFRXWTBNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000151559733 426302153 /nfs/dbraw/zinc/30/21/53/426302153.db2.gz LQORDIONKPNZNO-AFYVEPGGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000151559733 426302157 /nfs/dbraw/zinc/30/21/57/426302157.db2.gz LQORDIONKPNZNO-AFYVEPGGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000151559733 426302159 /nfs/dbraw/zinc/30/21/59/426302159.db2.gz LQORDIONKPNZNO-AFYVEPGGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000151559733 426302160 /nfs/dbraw/zinc/30/21/60/426302160.db2.gz LQORDIONKPNZNO-AFYVEPGGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000151559733 426302163 /nfs/dbraw/zinc/30/21/63/426302163.db2.gz LQORDIONKPNZNO-AFYVEPGGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000151912871 426318513 /nfs/dbraw/zinc/31/85/13/426318513.db2.gz VOEDUVWICJKKTM-ZDUSSCGKSA-N 2 1 304.438 2.573 20 0 DFADMP COc1cccc(C[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C2CC2)c1 ZINC000121107519 426322146 /nfs/dbraw/zinc/32/21/46/426322146.db2.gz MKVNCKCTFGVFAA-RTBURBONSA-N 2 1 302.462 2.946 20 0 DFADMP CCc1ccc(C[N@@H+](C)C2CCN(CCn3cccn3)CC2)o1 ZINC000121211554 426324243 /nfs/dbraw/zinc/32/42/43/426324243.db2.gz PXHCGLFJHKJPJG-UHFFFAOYSA-N 2 1 316.449 2.635 20 0 DFADMP CCc1ccc(CN(C)C2CC[NH+](CCn3cccn3)CC2)o1 ZINC000121211554 426324248 /nfs/dbraw/zinc/32/42/48/426324248.db2.gz PXHCGLFJHKJPJG-UHFFFAOYSA-N 2 1 316.449 2.635 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121234301 426327873 /nfs/dbraw/zinc/32/78/73/426327873.db2.gz WOVZUGXDNJEFTM-MBOZVWFJSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000121238550 426328010 /nfs/dbraw/zinc/32/80/10/426328010.db2.gz QVWHZZMDJVYNFJ-RHSMWYFYSA-N 2 1 307.507 2.785 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC000121238550 426328013 /nfs/dbraw/zinc/32/80/13/426328013.db2.gz QVWHZZMDJVYNFJ-RHSMWYFYSA-N 2 1 307.507 2.785 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCN2CCCc3ccccc32)CC[N@@H+]1C ZINC000090551653 426328303 /nfs/dbraw/zinc/32/83/03/426328303.db2.gz PBRVZADTXWKGBV-SJLPKXTDSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCN2CCCc3ccccc32)CC[N@H+]1C ZINC000090551653 426328306 /nfs/dbraw/zinc/32/83/06/426328306.db2.gz PBRVZADTXWKGBV-SJLPKXTDSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCN2CCCc3ccccc32)CC[NH+]1C ZINC000090551653 426328307 /nfs/dbraw/zinc/32/83/07/426328307.db2.gz PBRVZADTXWKGBV-SJLPKXTDSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCN2CCCc3ccccc32)CC[NH+]1C ZINC000090551653 426328312 /nfs/dbraw/zinc/32/83/12/426328312.db2.gz PBRVZADTXWKGBV-SJLPKXTDSA-N 2 1 301.478 2.854 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000090720340 426330740 /nfs/dbraw/zinc/33/07/40/426330740.db2.gz UBZIJGDQCRISNX-WCQYABFASA-N 2 1 312.841 2.930 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000090720340 426330742 /nfs/dbraw/zinc/33/07/42/426330742.db2.gz UBZIJGDQCRISNX-WCQYABFASA-N 2 1 312.841 2.930 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090719027 426330779 /nfs/dbraw/zinc/33/07/79/426330779.db2.gz OFWMLPAHEWCJLQ-JTDSTZFVSA-N 2 1 320.477 2.920 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000090720338 426331203 /nfs/dbraw/zinc/33/12/03/426331203.db2.gz UBZIJGDQCRISNX-DGCLKSJQSA-N 2 1 312.841 2.930 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000090720338 426331206 /nfs/dbraw/zinc/33/12/06/426331206.db2.gz UBZIJGDQCRISNX-DGCLKSJQSA-N 2 1 312.841 2.930 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000152192747 426331446 /nfs/dbraw/zinc/33/14/46/426331446.db2.gz GEFFGBOPBIWHRA-NXEZZACHSA-N 2 1 307.385 2.777 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000090936169 426333700 /nfs/dbraw/zinc/33/37/00/426333700.db2.gz XNHRWXMRJZXOPD-XYPYXGAPSA-N 2 1 314.832 2.831 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000151124346 426279914 /nfs/dbraw/zinc/27/99/14/426279914.db2.gz HXBYOIBAEXOJHZ-VFCRVFHLSA-N 2 1 308.491 2.807 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089146495 426280907 /nfs/dbraw/zinc/28/09/07/426280907.db2.gz RPJGFHMTONSYNT-OAHLLOKOSA-N 2 1 313.486 2.563 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089146495 426280910 /nfs/dbraw/zinc/28/09/10/426280910.db2.gz RPJGFHMTONSYNT-OAHLLOKOSA-N 2 1 313.486 2.563 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000122841606 426396864 /nfs/dbraw/zinc/39/68/64/426396864.db2.gz HYOQLNSBYMOWKP-ZDUSSCGKSA-N 2 1 301.434 2.922 20 0 DFADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122854405 426398855 /nfs/dbraw/zinc/39/88/55/426398855.db2.gz GHEVZTBVFOPLCI-OAHLLOKOSA-N 2 1 309.885 2.970 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596486 426347892 /nfs/dbraw/zinc/34/78/92/426347892.db2.gz PQKLVWATHFSVCJ-GJYPPUQNSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596486 426347894 /nfs/dbraw/zinc/34/78/94/426347894.db2.gz PQKLVWATHFSVCJ-GJYPPUQNSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152786787 426354061 /nfs/dbraw/zinc/35/40/61/426354061.db2.gz YBSXRQJSDVCFQR-VKJFTORMSA-N 2 1 305.441 2.582 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000122173396 426361931 /nfs/dbraw/zinc/36/19/31/426361931.db2.gz FGDCFQMLIFRLEX-UHFFFAOYSA-N 2 1 323.481 2.862 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000122173396 426361934 /nfs/dbraw/zinc/36/19/34/426361934.db2.gz FGDCFQMLIFRLEX-UHFFFAOYSA-N 2 1 323.481 2.862 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1([NH3+])CCCCCC1 ZINC000122457647 426375697 /nfs/dbraw/zinc/37/56/97/426375697.db2.gz LWFVOELICNLBSS-UHFFFAOYSA-N 2 1 306.454 2.565 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC[NH+](C)C)cc1)C(C)C ZINC000176385274 426376533 /nfs/dbraw/zinc/37/65/33/426376533.db2.gz XNZJQKZNDNFQSM-UHFFFAOYSA-N 2 1 305.466 2.551 20 0 DFADMP C[C@@H](C(=O)Nc1nccs1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123168284 426417262 /nfs/dbraw/zinc/41/72/62/426417262.db2.gz YEZBRAUZSJKADM-ZDUSSCGKSA-N 2 1 324.494 2.524 20 0 DFADMP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123250754 426422567 /nfs/dbraw/zinc/42/25/67/426422567.db2.gz QCHSCHGSHOAEEB-SFHVURJKSA-N 2 1 318.461 2.955 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000123264791 426424308 /nfs/dbraw/zinc/42/43/08/426424308.db2.gz DLXLORBQLBEJFZ-KRWDZBQOSA-N 2 1 302.418 2.530 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000123264791 426424310 /nfs/dbraw/zinc/42/43/10/426424310.db2.gz DLXLORBQLBEJFZ-KRWDZBQOSA-N 2 1 302.418 2.530 20 0 DFADMP C[N@@H+](CCC[NH3+])CCOc1ccc(Cl)cc1Br ZINC000123302165 426426835 /nfs/dbraw/zinc/42/68/35/426426835.db2.gz QVDCWSVHRRDEJZ-UHFFFAOYSA-N 2 1 321.646 2.762 20 0 DFADMP Cn1cc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000340463812 268977968 /nfs/dbraw/zinc/97/79/68/268977968.db2.gz DJUAGFRDKIGPIW-UHFFFAOYSA-N 2 1 312.461 2.953 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC[N@H+]1C ZINC000154446217 426440172 /nfs/dbraw/zinc/44/01/72/426440172.db2.gz ODDMOTGIXNMWFN-HOCLYGCPSA-N 2 1 312.461 2.873 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2F)CC1 ZINC000154447013 426440530 /nfs/dbraw/zinc/44/05/30/426440530.db2.gz VIGDEKRJGJRRBM-INIZCTEOSA-N 2 1 307.457 2.894 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000154468921 426441148 /nfs/dbraw/zinc/44/11/48/426441148.db2.gz MODJDXICIMUSJH-IBGZPJMESA-N 2 1 301.478 2.681 20 0 DFADMP C[C@]1(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC[NH2+]C1 ZINC000340706150 269001833 /nfs/dbraw/zinc/00/18/33/269001833.db2.gz GFSPNZXDDUEVOI-MOPGFXCFSA-N 2 1 302.462 2.710 20 0 DFADMP CN1CCC[C@H]1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000154567811 426445636 /nfs/dbraw/zinc/44/56/36/426445636.db2.gz VVVCCFCAQANYRP-IBGZPJMESA-N 2 1 319.468 2.516 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000177295870 426465045 /nfs/dbraw/zinc/46/50/45/426465045.db2.gz FXXJKRICGPTTNN-GJZGRUSLSA-N 2 1 314.433 2.835 20 0 DFADMP CCOC(C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OCC ZINC000124024759 426466919 /nfs/dbraw/zinc/46/69/19/426466919.db2.gz QQBMEKHAQFOUAZ-KRWDZBQOSA-N 2 1 312.498 2.829 20 0 DFADMP CCOC(C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1)OCC ZINC000124024759 426466922 /nfs/dbraw/zinc/46/69/22/426466922.db2.gz QQBMEKHAQFOUAZ-KRWDZBQOSA-N 2 1 312.498 2.829 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378457 426474308 /nfs/dbraw/zinc/47/43/08/426474308.db2.gz LEOPSXCVEMBJOP-HNNXBMFYSA-N 2 1 307.457 2.845 20 0 DFADMP c1sc(-c2ccccn2)nc1CNC[C@H]1CC[N@H+](C2CC2)C1 ZINC000124341200 426481083 /nfs/dbraw/zinc/48/10/83/426481083.db2.gz XUAWQUSTRKFPTB-CYBMUJFWSA-N 2 1 314.458 2.779 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000124358394 426481503 /nfs/dbraw/zinc/48/15/03/426481503.db2.gz JPMKEOGHNYHATQ-GDBMZVCRSA-N 2 1 318.461 2.709 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000124377135 426482218 /nfs/dbraw/zinc/48/22/18/426482218.db2.gz XGPWJWRIEFMLSM-KBPBESRZSA-N 2 1 302.418 2.593 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000124376449 426482417 /nfs/dbraw/zinc/48/24/17/426482417.db2.gz UNPYQEHDVARDOD-KGLIPLIRSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000124376449 426482419 /nfs/dbraw/zinc/48/24/19/426482419.db2.gz UNPYQEHDVARDOD-KGLIPLIRSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@H](NCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272457489 426529395 /nfs/dbraw/zinc/52/93/95/426529395.db2.gz KARUTJLZOPQVBJ-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]([NH2+]CCN1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272457489 426529403 /nfs/dbraw/zinc/52/94/03/426529403.db2.gz KARUTJLZOPQVBJ-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP Brc1cccc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)n1 ZINC000272453461 426530421 /nfs/dbraw/zinc/53/04/21/426530421.db2.gz WSVDQQFAANHXOI-LLVKDONJSA-N 2 1 321.222 2.947 20 0 DFADMP Brc1cccc(CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000272453461 426530427 /nfs/dbraw/zinc/53/04/27/426530427.db2.gz WSVDQQFAANHXOI-LLVKDONJSA-N 2 1 321.222 2.947 20 0 DFADMP CC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178003791 426554954 /nfs/dbraw/zinc/55/49/54/426554954.db2.gz BEPZUTHAMHKSFV-SJLPKXTDSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178003791 426554956 /nfs/dbraw/zinc/55/49/56/426554956.db2.gz BEPZUTHAMHKSFV-SJLPKXTDSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178003791 426554959 /nfs/dbraw/zinc/55/49/59/426554959.db2.gz BEPZUTHAMHKSFV-SJLPKXTDSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178003791 426554963 /nfs/dbraw/zinc/55/49/63/426554963.db2.gz BEPZUTHAMHKSFV-SJLPKXTDSA-N 2 1 316.445 2.684 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1)C(C)C ZINC000272511201 426544480 /nfs/dbraw/zinc/54/44/80/426544480.db2.gz GHDHFBZUBDPYHB-JKSUJKDBSA-N 2 1 317.477 2.739 20 0 DFADMP CC[NH+]1CCN([C@@H]2CCN(c3cc(C)[nH+]c4ccccc43)C2)CC1 ZINC000264419801 426548661 /nfs/dbraw/zinc/54/86/61/426548661.db2.gz QSRNCGRPJQQEQK-QGZVFWFLSA-N 2 1 324.472 2.759 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272536756 426551469 /nfs/dbraw/zinc/55/14/69/426551469.db2.gz BXJCVZKVISRJNB-AEFFLSMTSA-N 2 1 304.478 2.895 20 0 DFADMP CCSCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177508095 426490335 /nfs/dbraw/zinc/49/03/35/426490335.db2.gz NXLWLYRZXAIVMR-IYBDPMFKSA-N 2 1 314.539 2.951 20 0 DFADMP CCC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195025907 426498957 /nfs/dbraw/zinc/49/89/57/426498957.db2.gz IBGZYDUJOPJIPD-QGZVFWFLSA-N 2 1 313.449 2.606 20 0 DFADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@H]1CC[NH+](C)C1 ZINC000280391457 426565138 /nfs/dbraw/zinc/56/51/38/426565138.db2.gz WWNDNULQZZOKMX-PXNSSMCTSA-N 2 1 312.457 2.627 20 0 DFADMP Cc1c([C@@H](C)[NH2+]CCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000178115649 426574361 /nfs/dbraw/zinc/57/43/61/426574361.db2.gz TUNQTOJVUCMRQH-CYBMUJFWSA-N 2 1 304.413 2.922 20 0 DFADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C2CCCCC2)n1 ZINC000273035794 426580538 /nfs/dbraw/zinc/58/05/38/426580538.db2.gz HEWMOSGEHQOHFB-UHFFFAOYSA-N 2 1 302.466 2.819 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c1 ZINC000178306892 426603111 /nfs/dbraw/zinc/60/31/11/426603111.db2.gz XHAQHJSOCAALKS-MRXNPFEDSA-N 2 1 315.417 2.873 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn2cc(C)ccc2n1 ZINC000178322434 426606176 /nfs/dbraw/zinc/60/61/76/426606176.db2.gz PYNFVSKOFWHKPP-QGZVFWFLSA-N 2 1 309.417 2.812 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn2cc(C)ccc2n1 ZINC000178322434 426606180 /nfs/dbraw/zinc/60/61/80/426606180.db2.gz PYNFVSKOFWHKPP-QGZVFWFLSA-N 2 1 309.417 2.812 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000273172683 426606456 /nfs/dbraw/zinc/60/64/56/426606456.db2.gz MQESXWOPPKNTCH-IRXDYDNUSA-N 2 1 320.477 2.809 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)ccc1O ZINC000178012356 426556189 /nfs/dbraw/zinc/55/61/89/426556189.db2.gz DBHPGCYUWUBYLV-UHFFFAOYSA-N 2 1 304.434 2.897 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000273279644 426633860 /nfs/dbraw/zinc/63/38/60/426633860.db2.gz NROBVHCIBMBFMV-GJZGRUSLSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000273279644 426633863 /nfs/dbraw/zinc/63/38/63/426633863.db2.gz NROBVHCIBMBFMV-GJZGRUSLSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000280835225 426665433 /nfs/dbraw/zinc/66/54/33/426665433.db2.gz JZYLXRUUVQVSDQ-UONOGXRCSA-N 2 1 317.433 2.991 20 0 DFADMP Cc1cc(C)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1C ZINC000289470358 426666594 /nfs/dbraw/zinc/66/65/94/426666594.db2.gz PIYJARVLYMFZGI-UHFFFAOYSA-N 2 1 303.494 2.681 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280862899 426672336 /nfs/dbraw/zinc/67/23/36/426672336.db2.gz NITXJDZBOBKAID-OALUTQOASA-N 2 1 317.477 2.749 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cccnc3)CC2)nc(C)[nH+]1 ZINC000178694800 426676408 /nfs/dbraw/zinc/67/64/08/426676408.db2.gz LNBHAIZPNKJKSL-CQSZACIVSA-N 2 1 311.433 2.808 20 0 DFADMP C[NH2+]CCCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000178690002 426677095 /nfs/dbraw/zinc/67/70/95/426677095.db2.gz CQWSVWLKIAXPMY-OAHLLOKOSA-N 2 1 303.450 2.857 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3ccncc3)CC2)nc(C)[nH+]1 ZINC000178696154 426678885 /nfs/dbraw/zinc/67/88/85/426678885.db2.gz ZFASSDWZNHFRKF-AWEZNQCLSA-N 2 1 311.433 2.808 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000178707163 426680472 /nfs/dbraw/zinc/68/04/72/426680472.db2.gz OLGQTGCMSYJKAH-OLZOCXBDSA-N 2 1 301.390 2.907 20 0 DFADMP Cc1ccncc1CCC[N@H+](C)[C@H]1CCCC[C@H]1S(C)(=O)=O ZINC000290049830 426681592 /nfs/dbraw/zinc/68/15/92/426681592.db2.gz OPNGRFMERKHQFN-DLBZAZTESA-N 2 1 324.490 2.610 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000280902583 426682524 /nfs/dbraw/zinc/68/25/24/426682524.db2.gz FWLCDINNGMFXRQ-QUCCMNQESA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000280902583 426682526 /nfs/dbraw/zinc/68/25/26/426682526.db2.gz FWLCDINNGMFXRQ-QUCCMNQESA-N 2 1 313.489 2.749 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236753782 426685337 /nfs/dbraw/zinc/68/53/37/426685337.db2.gz GGBIDKKKHIYRAD-AEFFLSMTSA-N 2 1 323.525 2.783 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000178413304 426624134 /nfs/dbraw/zinc/62/41/34/426624134.db2.gz RXRVYQHKHFBFRF-MRXNPFEDSA-N 2 1 315.461 2.950 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159774 426707207 /nfs/dbraw/zinc/70/72/07/426707207.db2.gz XIAJYXIPHPHKTP-UKRRQHHQSA-N 2 1 322.449 2.572 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159774 426707213 /nfs/dbraw/zinc/70/72/13/426707213.db2.gz XIAJYXIPHPHKTP-UKRRQHHQSA-N 2 1 322.449 2.572 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159774 426707217 /nfs/dbraw/zinc/70/72/17/426707217.db2.gz XIAJYXIPHPHKTP-UKRRQHHQSA-N 2 1 322.449 2.572 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159774 426707222 /nfs/dbraw/zinc/70/72/22/426707222.db2.gz XIAJYXIPHPHKTP-UKRRQHHQSA-N 2 1 322.449 2.572 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187965031 426709614 /nfs/dbraw/zinc/70/96/14/426709614.db2.gz QGAFJLNBFVYKIF-MRXNPFEDSA-N 2 1 302.397 2.570 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccnc2N)C1 ZINC000290109164 426695194 /nfs/dbraw/zinc/69/51/94/426695194.db2.gz SPIUTZBCCLATHQ-HOTGVXAUSA-N 2 1 302.466 2.750 20 0 DFADMP [NH3+]Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000237972138 426700905 /nfs/dbraw/zinc/70/09/05/426700905.db2.gz HMIVYXREFMDOIV-LJQANCHMSA-N 2 1 323.440 2.540 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000290444164 426767090 /nfs/dbraw/zinc/76/70/90/426767090.db2.gz VRAKIBNEROBLGI-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290444164 426767094 /nfs/dbraw/zinc/76/70/94/426767094.db2.gz VRAKIBNEROBLGI-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000290444164 426767098 /nfs/dbraw/zinc/76/70/98/426767098.db2.gz VRAKIBNEROBLGI-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000290444164 426767104 /nfs/dbraw/zinc/76/71/04/426767104.db2.gz VRAKIBNEROBLGI-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000290444164 426767108 /nfs/dbraw/zinc/76/71/08/426767108.db2.gz VRAKIBNEROBLGI-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP CCn1nc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000274504995 426783577 /nfs/dbraw/zinc/78/35/77/426783577.db2.gz SVJSLVVUAILAAY-QAPCUYQASA-N 2 1 312.461 2.972 20 0 DFADMP COc1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc(OC)c1O ZINC000290298428 426737102 /nfs/dbraw/zinc/73/71/02/426737102.db2.gz HOGUYXJSZOZCLQ-AWEZNQCLSA-N 2 1 322.449 2.764 20 0 DFADMP CC/C=C/CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188309553 426740206 /nfs/dbraw/zinc/74/02/06/426740206.db2.gz CJQMLSHVKSIUAB-PXPVJAHISA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C/CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188309553 426740219 /nfs/dbraw/zinc/74/02/19/426740219.db2.gz CJQMLSHVKSIUAB-PXPVJAHISA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C/CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188309553 426740224 /nfs/dbraw/zinc/74/02/24/426740224.db2.gz CJQMLSHVKSIUAB-PXPVJAHISA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C/CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188309553 426740229 /nfs/dbraw/zinc/74/02/29/426740229.db2.gz CJQMLSHVKSIUAB-PXPVJAHISA-N 2 1 302.462 2.912 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000290343642 426745929 /nfs/dbraw/zinc/74/59/29/426745929.db2.gz FPIMDPQJBBLTEF-VQTJNVASSA-N 2 1 324.472 2.848 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245716116 426764693 /nfs/dbraw/zinc/76/46/93/426764693.db2.gz OCDGRTRNVXDJQR-UJWQCDCRSA-N 2 1 300.446 2.685 20 0 DFADMP CC[C@H](CCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245708977 426764863 /nfs/dbraw/zinc/76/48/63/426764863.db2.gz MZDPGYLUUBRRIW-MKXGPGLRSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccccn1 ZINC000290444335 426766209 /nfs/dbraw/zinc/76/62/09/426766209.db2.gz VRTFYXTXYVPCJH-HNNXBMFYSA-N 2 1 314.433 2.658 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000266933945 426798794 /nfs/dbraw/zinc/79/87/94/426798794.db2.gz NNPVIROSGFIBLZ-QLFBSQMISA-N 2 1 303.450 2.948 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3CCCCO3)CC2)C[C@H](C)O1 ZINC000246098137 426799138 /nfs/dbraw/zinc/79/91/38/426799138.db2.gz ANEAPTVAYOFASP-ZIFCJYIRSA-N 2 1 324.509 2.767 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC1CC[NH+](C)CC1 ZINC000266977362 426807279 /nfs/dbraw/zinc/80/72/79/426807279.db2.gz RIWPJEHUGXINDF-UHFFFAOYSA-N 3 1 303.494 2.828 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)o1 ZINC000290628879 426808314 /nfs/dbraw/zinc/80/83/14/426808314.db2.gz XUEALSNEKQMBTI-HNNXBMFYSA-N 2 1 320.433 2.620 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000246441760 426832751 /nfs/dbraw/zinc/83/27/51/426832751.db2.gz OPDUZRMXADZZNK-ILXRZTDVSA-N 2 1 313.486 2.610 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000180094448 426836610 /nfs/dbraw/zinc/83/66/10/426836610.db2.gz WMSAMICNKDIDNA-WBVHZDCISA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000180094448 426836613 /nfs/dbraw/zinc/83/66/13/426836613.db2.gz WMSAMICNKDIDNA-WBVHZDCISA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)ccc1O ZINC000180094448 426836617 /nfs/dbraw/zinc/83/66/17/426836617.db2.gz WMSAMICNKDIDNA-WBVHZDCISA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)ccc1O ZINC000180094448 426836622 /nfs/dbraw/zinc/83/66/22/426836622.db2.gz WMSAMICNKDIDNA-WBVHZDCISA-N 2 1 316.445 2.850 20 0 DFADMP CN(C)c1cc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc[nH+]1 ZINC000267203527 426843119 /nfs/dbraw/zinc/84/31/19/426843119.db2.gz FFFLDUBQIFNNOA-UHFFFAOYSA-N 2 1 324.428 2.996 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000274821692 426844995 /nfs/dbraw/zinc/84/49/95/426844995.db2.gz YJOUACZWPXBUOR-GDAAHCPNSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000274821692 426844999 /nfs/dbraw/zinc/84/49/99/426844999.db2.gz YJOUACZWPXBUOR-GDAAHCPNSA-N 2 1 302.462 2.933 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000282187638 426849405 /nfs/dbraw/zinc/84/94/05/426849405.db2.gz NDXIQGRINPVUAJ-OTWHNJEPSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC12CCC2 ZINC000282187638 426849409 /nfs/dbraw/zinc/84/94/09/426849409.db2.gz NDXIQGRINPVUAJ-OTWHNJEPSA-N 2 1 314.473 2.792 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@@H+](C)CCCn1ccnc1 ZINC000290568387 426795324 /nfs/dbraw/zinc/79/53/24/426795324.db2.gz SVMLDIIZNRZCEO-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000275785444 426918280 /nfs/dbraw/zinc/91/82/80/426918280.db2.gz YCJHPMHHBWABET-UXHICEINSA-N 2 1 316.489 2.885 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274941686 426858736 /nfs/dbraw/zinc/85/87/36/426858736.db2.gz SZXHEBRXCKNBGO-DSLXNQLJSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)(C[N@H+]1CC[C@H](CN2CCOCC2)C1)c1ccccc1 ZINC000180453304 426860990 /nfs/dbraw/zinc/86/09/90/426860990.db2.gz FRIKSJUQGMSZFZ-QGZVFWFLSA-N 2 1 302.462 2.618 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000282237960 426861454 /nfs/dbraw/zinc/86/14/54/426861454.db2.gz IYBCASZMQNVFGD-IAGOWNOFSA-N 2 1 303.494 2.794 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275570366 426872701 /nfs/dbraw/zinc/87/27/01/426872701.db2.gz CLDCAFMTWYRPRH-OAHLLOKOSA-N 2 1 320.481 2.643 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(F)c1 ZINC000282309678 426879349 /nfs/dbraw/zinc/87/93/49/426879349.db2.gz MWIQFBFUBBWRQF-CQSZACIVSA-N 2 1 323.456 2.511 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1SC ZINC000275620556 426879837 /nfs/dbraw/zinc/87/98/37/426879837.db2.gz RNBZSXYFOYOALC-CQSZACIVSA-N 2 1 317.458 2.966 20 0 DFADMP C[C@@H]1C[C@@H](NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000267545280 426881775 /nfs/dbraw/zinc/88/17/75/426881775.db2.gz BLCKTJUHIJCRCQ-APWZRJJASA-N 2 1 301.478 2.723 20 0 DFADMP CCN(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000246971211 426886373 /nfs/dbraw/zinc/88/63/73/426886373.db2.gz JLGNAWJGALMVGR-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP CN(CC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000180963211 426900181 /nfs/dbraw/zinc/90/01/81/426900181.db2.gz LCYRYZNIVLDEBL-LJQANCHMSA-N 2 1 319.468 2.771 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000247091633 426900350 /nfs/dbraw/zinc/90/03/50/426900350.db2.gz ROUNUHOZXXYVLS-SFHVURJKSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000305807290 426913805 /nfs/dbraw/zinc/91/38/05/426913805.db2.gz ZPQQXDQNEKCPSQ-NIKGAXFTSA-N 2 1 300.446 2.593 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2Cc3ccccc3[C@H]2O)CC1 ZINC000305807290 426913809 /nfs/dbraw/zinc/91/38/09/426913809.db2.gz ZPQQXDQNEKCPSQ-NIKGAXFTSA-N 2 1 300.446 2.593 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@H]1C ZINC000247503270 426948095 /nfs/dbraw/zinc/94/80/95/426948095.db2.gz VFOJMGDSNIQSSY-IAGOWNOFSA-N 2 1 309.498 2.584 20 0 DFADMP C[NH+](C/C=C/C[N@@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000181458545 426951643 /nfs/dbraw/zinc/95/16/43/426951643.db2.gz UFIJAEVLKLWHFE-ONEGZZNKSA-N 2 1 324.472 2.682 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+](C)C ZINC000291804127 426994106 /nfs/dbraw/zinc/99/41/06/426994106.db2.gz XOJKIZCGURWZFA-ZHALLVOQSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)C[NH+](C)C ZINC000291804127 426994113 /nfs/dbraw/zinc/99/41/13/426994113.db2.gz XOJKIZCGURWZFA-ZHALLVOQSA-N 3 1 303.494 2.827 20 0 DFADMP Cc1ccc(OC2CC[NH+](CCC[NH+]3CCCC3)CC2)nc1 ZINC000181549134 426960195 /nfs/dbraw/zinc/96/01/95/426960195.db2.gz KMAPVOSYICXVLE-UHFFFAOYSA-N 2 1 303.450 2.719 20 0 DFADMP CC[C@@](C)(C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)OC ZINC000319605104 426964004 /nfs/dbraw/zinc/96/40/04/426964004.db2.gz JYRDGVKIZNQKQY-OALUTQOASA-N 2 1 320.477 2.682 20 0 DFADMP CC[C@@](C)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)OC ZINC000319605104 426964017 /nfs/dbraw/zinc/96/40/17/426964017.db2.gz JYRDGVKIZNQKQY-OALUTQOASA-N 2 1 320.477 2.682 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000337779724 426967100 /nfs/dbraw/zinc/96/71/00/426967100.db2.gz AJKOYEVEELWSEZ-QZTJIDSGSA-N 2 1 302.462 2.913 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000337779724 426967107 /nfs/dbraw/zinc/96/71/07/426967107.db2.gz AJKOYEVEELWSEZ-QZTJIDSGSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321996098 426971960 /nfs/dbraw/zinc/97/19/60/426971960.db2.gz LMYNRMJKKCVLFF-JMPLFQLZSA-N 2 1 308.385 2.652 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248391055 426994952 /nfs/dbraw/zinc/99/49/52/426994952.db2.gz BWUFWDUUQMWKBK-LSDHHAIUSA-N 2 1 313.486 2.611 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000291797456 426990718 /nfs/dbraw/zinc/99/07/18/426990718.db2.gz GUUUNBWTFLAKBT-MRXNPFEDSA-N 2 1 317.477 2.741 20 0 DFADMP C[C@H]([NH2+]CCOCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276158737 426995242 /nfs/dbraw/zinc/99/52/42/426995242.db2.gz CYODOKXKDAISDP-HOCLYGCPSA-N 2 1 312.404 2.768 20 0 DFADMP C[NH+]1CCC(C)(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000275839822 426930093 /nfs/dbraw/zinc/93/00/93/426930093.db2.gz JEGZOZJTDOMXFD-INIZCTEOSA-N 2 1 316.424 2.960 20 0 DFADMP CCc1nc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000296062660 427062690 /nfs/dbraw/zinc/06/26/90/427062690.db2.gz PJCLWUZTDUWGMJ-HOCLYGCPSA-N 2 1 313.449 2.510 20 0 DFADMP C(C1CCC2(CC1)OCCO2)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000190243052 427051637 /nfs/dbraw/zinc/05/16/37/427051637.db2.gz NUIBAFCCFOVMMS-SFHVURJKSA-N 2 1 322.493 2.870 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000337945856 427052980 /nfs/dbraw/zinc/05/29/80/427052980.db2.gz DQYHDISZSDWQFC-UHFFFAOYSA-N 2 1 313.430 2.890 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000182437144 427075689 /nfs/dbraw/zinc/07/56/89/427075689.db2.gz YDFGPSOEFIFEMV-RBUKOAKNSA-N 2 1 304.478 2.644 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182437144 427075693 /nfs/dbraw/zinc/07/56/93/427075693.db2.gz YDFGPSOEFIFEMV-RBUKOAKNSA-N 2 1 304.478 2.644 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182437144 427075700 /nfs/dbraw/zinc/07/57/00/427075700.db2.gz YDFGPSOEFIFEMV-RBUKOAKNSA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337989180 427077565 /nfs/dbraw/zinc/07/75/65/427077565.db2.gz LGQCLGGZLPKILB-MSOLQXFVSA-N 2 1 313.505 2.912 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337990646 427079355 /nfs/dbraw/zinc/07/93/55/427079355.db2.gz DMMFGHSDWMXTDX-ZWKOTPCHSA-N 2 1 313.505 2.768 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H]1CCCF ZINC000337991106 427080565 /nfs/dbraw/zinc/08/05/65/427080565.db2.gz WSGFJAYLXZKXIW-YESZJQIVSA-N 2 1 300.462 2.731 20 0 DFADMP Cc1cc(N2CCN(C[C@H]3CC[C@@H](C)O3)CC2)nc(C(C)C)n1 ZINC000190350849 427081585 /nfs/dbraw/zinc/08/15/85/427081585.db2.gz RBHPYNZFTCOIQX-HZPDHXFCSA-N 2 1 318.465 2.598 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000337999393 427085259 /nfs/dbraw/zinc/08/52/59/427085259.db2.gz OYZASOAZHVAKLG-AQNXPRMDSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000337999393 427085263 /nfs/dbraw/zinc/08/52/63/427085263.db2.gz OYZASOAZHVAKLG-AQNXPRMDSA-N 2 1 314.473 2.792 20 0 DFADMP C[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1)[N@@H+](C)Cc1ccccc1 ZINC000283855653 427089231 /nfs/dbraw/zinc/08/92/31/427089231.db2.gz GWBYSVLDBJIYGY-HNNXBMFYSA-N 2 1 322.412 2.585 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249139530 427092170 /nfs/dbraw/zinc/09/21/70/427092170.db2.gz VLKJHRUCGRMXGB-OALUTQOASA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+](CC)CCNC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000338020230 427095182 /nfs/dbraw/zinc/09/51/82/427095182.db2.gz OEAMEPNKPABHCU-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000249271638 427101746 /nfs/dbraw/zinc/10/17/46/427101746.db2.gz JGUFQKCMSSEHPF-GJZGRUSLSA-N 2 1 322.415 2.888 20 0 DFADMP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000249271638 427101750 /nfs/dbraw/zinc/10/17/50/427101750.db2.gz JGUFQKCMSSEHPF-GJZGRUSLSA-N 2 1 322.415 2.888 20 0 DFADMP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268736313 427104870 /nfs/dbraw/zinc/10/48/70/427104870.db2.gz BQYWMOHNGTVPMM-FUHWJXTLSA-N 2 1 317.477 2.544 20 0 DFADMP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268736313 427104873 /nfs/dbraw/zinc/10/48/73/427104873.db2.gz BQYWMOHNGTVPMM-FUHWJXTLSA-N 2 1 317.477 2.544 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268734913 427106057 /nfs/dbraw/zinc/10/60/57/427106057.db2.gz VHTOMYASTFDZLX-HKUYNNGSSA-N 2 1 303.494 2.828 20 0 DFADMP C[C@H]1C[C@H](NC(=O)C=Cc2c[nH]cn2)CC[N@H+]1Cc1ccccc1 ZINC000276594445 427110382 /nfs/dbraw/zinc/11/03/82/427110382.db2.gz NKKWFKAWVSVYMU-CRLUXQHQSA-N 2 1 324.428 2.592 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268806945 427123244 /nfs/dbraw/zinc/12/32/44/427123244.db2.gz JJORCPZLSBTCII-LJQANCHMSA-N 2 1 319.468 2.820 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000249527881 427124289 /nfs/dbraw/zinc/12/42/89/427124289.db2.gz AJELEGTZSPGQFX-NVXWUHKLSA-N 2 1 315.461 2.857 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@H]3CCC[NH2+]3)c2C1 ZINC000292196526 427126417 /nfs/dbraw/zinc/12/64/17/427126417.db2.gz XWWODMARFYEWNT-OAHLLOKOSA-N 2 1 301.434 2.883 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@H]3CCC[NH2+]3)c2C1 ZINC000292196526 427126425 /nfs/dbraw/zinc/12/64/25/427126425.db2.gz XWWODMARFYEWNT-OAHLLOKOSA-N 2 1 301.434 2.883 20 0 DFADMP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292208757 427131802 /nfs/dbraw/zinc/13/18/02/427131802.db2.gz TUWFZEQUNGZUIS-KBXCAEBGSA-N 2 1 312.417 2.825 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284108215 427134024 /nfs/dbraw/zinc/13/40/24/427134024.db2.gz SPCFEYDJNYEDGY-OAHLLOKOSA-N 2 1 314.433 2.719 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000268876764 427139138 /nfs/dbraw/zinc/13/91/38/427139138.db2.gz IYVWDGMMYJXDNR-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268876764 427139142 /nfs/dbraw/zinc/13/91/42/427139142.db2.gz IYVWDGMMYJXDNR-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268876764 427139147 /nfs/dbraw/zinc/13/91/47/427139147.db2.gz IYVWDGMMYJXDNR-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000121064980 271017380 /nfs/dbraw/zinc/01/73/80/271017380.db2.gz SSLUBDOYXVYOCA-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000121064980 271017381 /nfs/dbraw/zinc/01/73/81/271017381.db2.gz SSLUBDOYXVYOCA-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000121064980 271017382 /nfs/dbraw/zinc/01/73/82/271017382.db2.gz SSLUBDOYXVYOCA-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000121064980 271017383 /nfs/dbraw/zinc/01/73/83/271017383.db2.gz SSLUBDOYXVYOCA-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP CC(C)[N@@H+](CCCn1ccnc1)CC(=O)Nc1ccc(F)cc1 ZINC000182891597 427164070 /nfs/dbraw/zinc/16/40/70/427164070.db2.gz WHPMHFHIGFTTJQ-UHFFFAOYSA-N 2 1 318.396 2.761 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000251687152 427162109 /nfs/dbraw/zinc/16/21/09/427162109.db2.gz OLIGOXXYXWADSQ-IBGZPJMESA-N 2 1 316.493 2.551 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cn1 ZINC000190702740 427163231 /nfs/dbraw/zinc/16/32/31/427163231.db2.gz DVMTVIJQGHIENZ-UHFFFAOYSA-N 2 1 304.482 2.892 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1cccc(F)c1 ZINC000178298857 271191718 /nfs/dbraw/zinc/19/17/18/271191718.db2.gz KXFGQTSOJIUGBY-MRXNPFEDSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1cccc(F)c1 ZINC000178298857 271191723 /nfs/dbraw/zinc/19/17/23/271191723.db2.gz KXFGQTSOJIUGBY-MRXNPFEDSA-N 2 1 303.381 2.874 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329764893 427168964 /nfs/dbraw/zinc/16/89/64/427168964.db2.gz WIFIWPSTDVCNCA-HOCLYGCPSA-N 2 1 318.465 2.769 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)C1 ZINC000237502788 271249555 /nfs/dbraw/zinc/24/95/55/271249555.db2.gz VYKGTZYNWBTSEL-HNNXBMFYSA-N 2 1 317.477 2.520 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000262422546 271270904 /nfs/dbraw/zinc/27/09/04/271270904.db2.gz FCXJAEQKZCACOI-ZDUSSCGKSA-N 2 1 314.376 2.871 20 0 DFADMP CC(C)(C)CN1CCC[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000329749893 427167213 /nfs/dbraw/zinc/16/72/13/427167213.db2.gz UPRWGVPSAIEMEY-OAHLLOKOSA-N 2 1 318.465 2.626 20 0 DFADMP CN(CC[N@@H+](C)CCCc1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000182943925 427171796 /nfs/dbraw/zinc/17/17/96/427171796.db2.gz KJHUFCLNMRPQCP-UHFFFAOYSA-N 2 1 321.484 2.716 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2ccccc2Cl)CC1 ZINC000303323375 271364840 /nfs/dbraw/zinc/36/48/40/271364840.db2.gz MKNBPIRSJMTBGK-OAHLLOKOSA-N 2 1 324.896 2.907 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)CC1 ZINC000277337832 427171248 /nfs/dbraw/zinc/17/12/48/427171248.db2.gz VYKXJDTYWNAYSZ-CQSZACIVSA-N 2 1 307.413 2.570 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000284287180 427174832 /nfs/dbraw/zinc/17/48/32/427174832.db2.gz HXMMEVHNVMCZBA-SCTDSRPQSA-N 2 1 318.461 2.989 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000284287180 427174840 /nfs/dbraw/zinc/17/48/40/427174840.db2.gz HXMMEVHNVMCZBA-SCTDSRPQSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000296464543 427189486 /nfs/dbraw/zinc/18/94/86/427189486.db2.gz NMONENNVOMMWBH-ZIFCJYIRSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000296464543 427189494 /nfs/dbraw/zinc/18/94/94/427189494.db2.gz NMONENNVOMMWBH-ZIFCJYIRSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000296464533 427190538 /nfs/dbraw/zinc/19/05/38/427190538.db2.gz NMONENNVOMMWBH-AOIWGVFYSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000296464533 427190542 /nfs/dbraw/zinc/19/05/42/427190542.db2.gz NMONENNVOMMWBH-AOIWGVFYSA-N 2 1 304.478 2.895 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC000292517224 427192375 /nfs/dbraw/zinc/19/23/75/427192375.db2.gz BJZYHJMTPJWQGD-ZDUSSCGKSA-N 2 1 311.495 2.660 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000252692418 427194119 /nfs/dbraw/zinc/19/41/19/427194119.db2.gz LVKRIKHFMKWDBV-NZSAHSFTSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000252692418 427194123 /nfs/dbraw/zinc/19/41/23/427194123.db2.gz LVKRIKHFMKWDBV-NZSAHSFTSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000252692418 427194131 /nfs/dbraw/zinc/19/41/31/427194131.db2.gz LVKRIKHFMKWDBV-NZSAHSFTSA-N 2 1 300.446 2.669 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)[C@H](C)O1 ZINC000296485970 427194466 /nfs/dbraw/zinc/19/44/66/427194466.db2.gz QHYJSINOYQESOT-CYJAXWMASA-N 2 1 318.461 2.563 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)[C@H](C)O1 ZINC000296485970 427194472 /nfs/dbraw/zinc/19/44/72/427194472.db2.gz QHYJSINOYQESOT-CYJAXWMASA-N 2 1 318.461 2.563 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)[C@@H](C)O1 ZINC000296485979 427194537 /nfs/dbraw/zinc/19/45/37/427194537.db2.gz QHYJSINOYQESOT-YKTARERQSA-N 2 1 318.461 2.563 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)[C@@H](C)O1 ZINC000296485979 427194542 /nfs/dbraw/zinc/19/45/42/427194542.db2.gz QHYJSINOYQESOT-YKTARERQSA-N 2 1 318.461 2.563 20 0 DFADMP CC[N@@H+](C)CCN[C@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000183132832 427207862 /nfs/dbraw/zinc/20/78/62/427207862.db2.gz OQFRAWLUWKYBLO-UFYCRDLUSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132832 427207872 /nfs/dbraw/zinc/20/78/72/427207872.db2.gz OQFRAWLUWKYBLO-UFYCRDLUSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132832 427207880 /nfs/dbraw/zinc/20/78/80/427207880.db2.gz OQFRAWLUWKYBLO-UFYCRDLUSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132832 427207888 /nfs/dbraw/zinc/20/78/88/427207888.db2.gz OQFRAWLUWKYBLO-UFYCRDLUSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132832 427207893 /nfs/dbraw/zinc/20/78/93/427207893.db2.gz OQFRAWLUWKYBLO-UFYCRDLUSA-N 2 1 315.505 2.828 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)COC(C)C)cc1 ZINC000183157168 427214156 /nfs/dbraw/zinc/21/41/56/427214156.db2.gz HJMMLXNYFYBMBM-RDTXWAMCSA-N 2 1 317.433 2.617 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000338281035 427232850 /nfs/dbraw/zinc/23/28/50/427232850.db2.gz FEYLQWRYUQZZJL-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)Cc1ccccc1 ZINC000277548118 427238407 /nfs/dbraw/zinc/23/84/07/427238407.db2.gz QSCJSYKPFPFZGG-ZWKOTPCHSA-N 2 1 304.478 2.956 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3ccccn3)CC2)CC1 ZINC000269672782 427245689 /nfs/dbraw/zinc/24/56/89/427245689.db2.gz ROXKDJMMJADFAD-KRWDZBQOSA-N 2 1 316.493 2.633 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000338306135 427250350 /nfs/dbraw/zinc/25/03/50/427250350.db2.gz YATYXVHUPSTCOW-MRXNPFEDSA-N 2 1 304.482 2.741 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000338306135 427250357 /nfs/dbraw/zinc/25/03/57/427250357.db2.gz YATYXVHUPSTCOW-MRXNPFEDSA-N 2 1 304.482 2.741 20 0 DFADMP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000296912899 427274387 /nfs/dbraw/zinc/27/43/87/427274387.db2.gz AFCJJPSRLKIDTE-MJGOQNOKSA-N 2 1 317.477 2.703 20 0 DFADMP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000296912899 427274391 /nfs/dbraw/zinc/27/43/91/427274391.db2.gz AFCJJPSRLKIDTE-MJGOQNOKSA-N 2 1 317.477 2.703 20 0 DFADMP Cn1cc(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285643792 427299663 /nfs/dbraw/zinc/29/96/63/427299663.db2.gz RXDDNUIXOQFWEQ-HXUWFJFHSA-N 2 1 324.472 2.561 20 0 DFADMP Cn1cc(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285643792 427299669 /nfs/dbraw/zinc/29/96/69/427299669.db2.gz RXDDNUIXOQFWEQ-HXUWFJFHSA-N 2 1 324.472 2.561 20 0 DFADMP Cn1cc(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285643792 427299675 /nfs/dbraw/zinc/29/96/75/427299675.db2.gz RXDDNUIXOQFWEQ-HXUWFJFHSA-N 2 1 324.472 2.561 20 0 DFADMP CCOC(=O)CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285655065 427301653 /nfs/dbraw/zinc/30/16/53/427301653.db2.gz SPPWMKBOUGSABW-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP CCOC(=O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285655065 427301659 /nfs/dbraw/zinc/30/16/59/427301659.db2.gz SPPWMKBOUGSABW-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP CCOC(=O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285655065 427301664 /nfs/dbraw/zinc/30/16/64/427301664.db2.gz SPPWMKBOUGSABW-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP CCOC(=O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285655065 427301667 /nfs/dbraw/zinc/30/16/67/427301667.db2.gz SPPWMKBOUGSABW-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc3[nH]ccc32)CCCO1 ZINC000277739074 427302717 /nfs/dbraw/zinc/30/27/17/427302717.db2.gz KARRSUZSFIVDJZ-HNNXBMFYSA-N 2 1 301.434 2.758 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000285695105 427313318 /nfs/dbraw/zinc/31/33/18/427313318.db2.gz VOKCKIVGJYXEKN-ZBFHGGJFSA-N 2 1 303.450 2.766 20 0 DFADMP CN(CCC[N@@H+](C)[C@H]1Cc2ccccc2[C@@H]1O)Cc1ccco1 ZINC000285719668 427319454 /nfs/dbraw/zinc/31/94/54/427319454.db2.gz QBLPKYLZIVYGGN-OALUTQOASA-N 2 1 314.429 2.692 20 0 DFADMP CN(CCC[N@@H+](C)[C@H]1Cc2ccccc2[C@H]1O)Cc1ccco1 ZINC000285719673 427319921 /nfs/dbraw/zinc/31/99/21/427319921.db2.gz QBLPKYLZIVYGGN-RBUKOAKNSA-N 2 1 314.429 2.692 20 0 DFADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC[NH+](C)C)cc1 ZINC000285762810 427332106 /nfs/dbraw/zinc/33/21/06/427332106.db2.gz SGVVOIULIGBXJQ-IBGZPJMESA-N 2 1 313.445 2.915 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)c2O1 ZINC000262135735 427353234 /nfs/dbraw/zinc/35/32/34/427353234.db2.gz LXFIAUNRDHWWOW-UAGQMJEPSA-N 2 1 300.446 2.959 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000285787223 427338489 /nfs/dbraw/zinc/33/84/89/427338489.db2.gz FEJBKBCQZBWSRQ-WMZOPIPTSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285787223 427338495 /nfs/dbraw/zinc/33/84/95/427338495.db2.gz FEJBKBCQZBWSRQ-WMZOPIPTSA-N 2 1 312.461 2.729 20 0 DFADMP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261788893 427341801 /nfs/dbraw/zinc/34/18/01/427341801.db2.gz XRANWZYWUNATDQ-GXTWGEPZSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261788893 427341807 /nfs/dbraw/zinc/34/18/07/427341807.db2.gz XRANWZYWUNATDQ-GXTWGEPZSA-N 2 1 301.821 2.930 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000277882180 427348306 /nfs/dbraw/zinc/34/83/06/427348306.db2.gz ZHVVXPBFTCESCG-UHFFFAOYSA-N 2 1 304.478 2.570 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000277882180 427348312 /nfs/dbraw/zinc/34/83/12/427348312.db2.gz ZHVVXPBFTCESCG-UHFFFAOYSA-N 2 1 304.478 2.570 20 0 DFADMP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338563025 427381279 /nfs/dbraw/zinc/38/12/79/427381279.db2.gz HGXCWCDKBIJTOJ-GDBMZVCRSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000338563025 427381287 /nfs/dbraw/zinc/38/12/87/427381287.db2.gz HGXCWCDKBIJTOJ-GDBMZVCRSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000338563025 427381291 /nfs/dbraw/zinc/38/12/91/427381291.db2.gz HGXCWCDKBIJTOJ-GDBMZVCRSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000338563025 427381302 /nfs/dbraw/zinc/38/13/02/427381302.db2.gz HGXCWCDKBIJTOJ-GDBMZVCRSA-N 2 1 308.466 2.524 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049629 427390540 /nfs/dbraw/zinc/39/05/40/427390540.db2.gz WQBUBOKGMJUEEW-OALUTQOASA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049629 427390546 /nfs/dbraw/zinc/39/05/46/427390546.db2.gz WQBUBOKGMJUEEW-OALUTQOASA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000271049629 427390553 /nfs/dbraw/zinc/39/05/53/427390553.db2.gz WQBUBOKGMJUEEW-OALUTQOASA-N 2 1 302.462 2.744 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCn2cc[nH+]c2C)c(C)c1OC ZINC000286000224 427397660 /nfs/dbraw/zinc/39/76/60/427397660.db2.gz IPNHSIKHXXEDMQ-ZDUSSCGKSA-N 2 1 317.433 2.738 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1OC ZINC000286014972 427401602 /nfs/dbraw/zinc/40/16/02/427401602.db2.gz IIRJZCGPCQCMRE-AWEZNQCLSA-N 2 1 304.434 2.925 20 0 DFADMP C[N@H+]1CCC[C@]2(CCN(Cc3ccnn3-c3ccccc3)C2)C1 ZINC000293692119 427408694 /nfs/dbraw/zinc/40/86/94/427408694.db2.gz QSUBZJABFAAWKI-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCc2ccc(F)cc2)CC1 ZINC000191459928 427354912 /nfs/dbraw/zinc/35/49/12/427354912.db2.gz YTDWGRUBJSTAOZ-UHFFFAOYSA-N 2 1 321.484 2.716 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)c2ccoc2C)CC1 ZINC000191474646 427356171 /nfs/dbraw/zinc/35/61/71/427356171.db2.gz BEOUQNOEXCIPCA-UHFFFAOYSA-N 2 1 321.465 2.514 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000262310571 427357170 /nfs/dbraw/zinc/35/71/70/427357170.db2.gz SIUKAJNTMZHHMX-YJBOKZPZSA-N 2 1 317.477 2.661 20 0 DFADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc(C2CC2)no1 ZINC000191492180 427360891 /nfs/dbraw/zinc/36/08/91/427360891.db2.gz XCWYGHMKMKASQE-UHFFFAOYSA-N 2 1 303.410 2.618 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000262718127 427367155 /nfs/dbraw/zinc/36/71/55/427367155.db2.gz XDEKMKCCPWTIIS-RDTXWAMCSA-N 2 1 319.449 2.536 20 0 DFADMP CCOC1CC(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)C1 ZINC000286207093 427454579 /nfs/dbraw/zinc/45/45/79/427454579.db2.gz AWEWHDLEMSDTPI-GTPINHCMSA-N 2 1 303.450 2.939 20 0 DFADMP CCOC1CC(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)C1 ZINC000286207093 427454584 /nfs/dbraw/zinc/45/45/84/427454584.db2.gz AWEWHDLEMSDTPI-GTPINHCMSA-N 2 1 303.450 2.939 20 0 DFADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(Cl)c1O ZINC000297826954 427462905 /nfs/dbraw/zinc/46/29/05/427462905.db2.gz ZHXCKEHWIIVUQY-UHFFFAOYSA-N 2 1 310.825 2.796 20 0 DFADMP Cc1nccc(N2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000286239816 427464280 /nfs/dbraw/zinc/46/42/80/427464280.db2.gz FHECJGCJUMQNEF-LJQANCHMSA-N 2 1 308.429 2.887 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278818670 427465056 /nfs/dbraw/zinc/46/50/56/427465056.db2.gz ZYVWLVUCQMXLJJ-RWQQGDIJSA-N 2 1 302.462 2.912 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297476 427484215 /nfs/dbraw/zinc/48/42/15/427484215.db2.gz WNHZCXDALLDVPZ-CVEARBPZSA-N 2 1 313.449 2.650 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](C)C[S@](C)=O)cc1 ZINC000184298262 427431944 /nfs/dbraw/zinc/43/19/44/427431944.db2.gz UQBCGUSRRXCJKM-QRQYBIJMSA-N 2 1 305.447 2.598 20 0 DFADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000286142491 427437833 /nfs/dbraw/zinc/43/78/33/427437833.db2.gz OLGBGSVCJSSDMR-HNNXBMFYSA-N 2 1 314.433 2.576 20 0 DFADMP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000293956457 427502908 /nfs/dbraw/zinc/50/29/08/427502908.db2.gz ZQTRZRFYQBUZLA-ZWKOTPCHSA-N 2 1 302.462 2.708 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000278943260 427507990 /nfs/dbraw/zinc/50/79/90/427507990.db2.gz KMCQVHWSPMBZRL-QWHCGFSZSA-N 2 1 303.381 2.944 20 0 DFADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298042737 427508679 /nfs/dbraw/zinc/50/86/79/427508679.db2.gz HLJLULPSSKLBGB-LPHOPBHVSA-N 2 1 300.446 2.981 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338844416 427517514 /nfs/dbraw/zinc/51/75/14/427517514.db2.gz NNCBUBMAIMMDJB-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CN1CC[N@H+](C)[C@@H](CNc2ccnc3c(Cl)cccc23)C1 ZINC000286425312 427525328 /nfs/dbraw/zinc/52/53/28/427525328.db2.gz BKKSKJXZNTYVAZ-LBPRGKRZSA-N 2 1 304.825 2.546 20 0 DFADMP CN1CC[N@@H+](C)[C@@H](CNc2ccnc3c(Cl)cccc23)C1 ZINC000286425312 427525334 /nfs/dbraw/zinc/52/53/34/427525334.db2.gz BKKSKJXZNTYVAZ-LBPRGKRZSA-N 2 1 304.825 2.546 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC[N@@H+]1C ZINC000332185320 427536740 /nfs/dbraw/zinc/53/67/40/427536740.db2.gz BCGAGRFTQHQJBL-INWMFGNUSA-N 2 1 303.450 2.943 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC[N@H+]1C ZINC000332185320 427536745 /nfs/dbraw/zinc/53/67/45/427536745.db2.gz BCGAGRFTQHQJBL-INWMFGNUSA-N 2 1 303.450 2.943 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000279033739 427537871 /nfs/dbraw/zinc/53/78/71/427537871.db2.gz WLXLBZBYLKHDEZ-ZIAGYGMSSA-N 2 1 313.401 2.568 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000192439033 427539155 /nfs/dbraw/zinc/53/91/55/427539155.db2.gz CNCVBOKDHRXXJL-GOEBONIOSA-N 2 1 300.446 2.626 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](O)c1c(F)cccc1F ZINC000271449049 427540756 /nfs/dbraw/zinc/54/07/56/427540756.db2.gz FKMASLDVUXWQQL-IUPKNAOTSA-N 2 1 312.404 2.849 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](O)c1c(F)cccc1F ZINC000271449049 427540762 /nfs/dbraw/zinc/54/07/62/427540762.db2.gz FKMASLDVUXWQQL-IUPKNAOTSA-N 2 1 312.404 2.849 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCOC[C@@H]2C)CC1 ZINC000192481427 427547276 /nfs/dbraw/zinc/54/72/76/427547276.db2.gz CHMKALKOOKDRSM-QFBILLFUSA-N 2 1 302.462 2.974 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000271460834 427548415 /nfs/dbraw/zinc/54/84/15/427548415.db2.gz HGOWKCOHHPTXAJ-LKCYJCQHSA-N 2 1 318.461 2.988 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C[C@H](O)C(F)(F)F ZINC000192146127 427489518 /nfs/dbraw/zinc/48/95/18/427489518.db2.gz UJBPNMPRKZXWRE-AWEZNQCLSA-N 2 1 313.323 2.536 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1CN(C)C[C@H](O)C(F)(F)F ZINC000192146127 427489529 /nfs/dbraw/zinc/48/95/29/427489529.db2.gz UJBPNMPRKZXWRE-AWEZNQCLSA-N 2 1 313.323 2.536 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000272051467 427614127 /nfs/dbraw/zinc/61/41/27/427614127.db2.gz ZJOBCPMFKGSAGW-SFHVURJKSA-N 2 1 302.462 2.852 20 0 DFADMP COC1(CC[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCC1 ZINC000294310411 427616754 /nfs/dbraw/zinc/61/67/54/427616754.db2.gz XJMWXDOJHLLUGI-SFHVURJKSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(CC[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCC1 ZINC000294310411 427616758 /nfs/dbraw/zinc/61/67/58/427616758.db2.gz XJMWXDOJHLLUGI-SFHVURJKSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(CC[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCC1 ZINC000294310411 427616761 /nfs/dbraw/zinc/61/67/61/427616761.db2.gz XJMWXDOJHLLUGI-SFHVURJKSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(CC[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCC1 ZINC000294310411 427616763 /nfs/dbraw/zinc/61/67/63/427616763.db2.gz XJMWXDOJHLLUGI-SFHVURJKSA-N 2 1 317.477 2.795 20 0 DFADMP CC1CC[NH+](C[C@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000263748250 427558263 /nfs/dbraw/zinc/55/82/63/427558263.db2.gz GEDFDWPDCUYTMP-OAHLLOKOSA-N 2 1 313.449 2.906 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271503718 427562392 /nfs/dbraw/zinc/56/23/92/427562392.db2.gz MKZOXEXZTIWABS-KXBFYZLASA-N 2 1 320.452 2.990 20 0 DFADMP C[NH+](CC1CCOCC1)[C@@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000338938252 427569516 /nfs/dbraw/zinc/56/95/16/427569516.db2.gz ILMHPUHMJRDYAE-LJQANCHMSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC1CCOCC1)[C@@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000338938252 427569519 /nfs/dbraw/zinc/56/95/19/427569519.db2.gz ILMHPUHMJRDYAE-LJQANCHMSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000298327897 427573290 /nfs/dbraw/zinc/57/32/90/427573290.db2.gz ISCJKKRXBOMVIC-UHFFFAOYSA-N 3 1 302.466 2.514 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000287408623 427601302 /nfs/dbraw/zinc/60/13/02/427601302.db2.gz RIHLFEMZNWGQSG-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000287408623 427601306 /nfs/dbraw/zinc/60/13/06/427601306.db2.gz RIHLFEMZNWGQSG-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000287408623 427601314 /nfs/dbraw/zinc/60/13/14/427601314.db2.gz RIHLFEMZNWGQSG-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000287408623 427601322 /nfs/dbraw/zinc/60/13/22/427601322.db2.gz RIHLFEMZNWGQSG-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP CC(C)[NH+]1CCC(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927601 427634480 /nfs/dbraw/zinc/63/44/80/427634480.db2.gz JQUHTMCONVBNHY-LJQANCHMSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192927601 427634487 /nfs/dbraw/zinc/63/44/87/427634487.db2.gz JQUHTMCONVBNHY-LJQANCHMSA-N 3 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927601 427634496 /nfs/dbraw/zinc/63/44/96/427634496.db2.gz JQUHTMCONVBNHY-LJQANCHMSA-N 3 1 315.505 2.971 20 0 DFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCc1cncn1C ZINC000298512937 427634672 /nfs/dbraw/zinc/63/46/72/427634672.db2.gz QZJJPJXYHKMDTP-QGZVFWFLSA-N 2 1 323.444 2.785 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)OC)c2)[C@@H](C)C1 ZINC000287565499 427639559 /nfs/dbraw/zinc/63/95/59/427639559.db2.gz QIQMXCBGOGRUHL-BBRMVZONSA-N 2 1 305.422 2.685 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)OC)c2)[C@H](C)C1 ZINC000287565508 427640114 /nfs/dbraw/zinc/64/01/14/427640114.db2.gz QIQMXCBGOGRUHL-CZUORRHYSA-N 2 1 305.422 2.685 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566183 427640509 /nfs/dbraw/zinc/64/05/09/427640509.db2.gz BLMBBTRRWCEOAC-OLMNPRSZSA-N 2 1 324.896 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566183 427640516 /nfs/dbraw/zinc/64/05/16/427640516.db2.gz BLMBBTRRWCEOAC-OLMNPRSZSA-N 2 1 324.896 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566183 427640524 /nfs/dbraw/zinc/64/05/24/427640524.db2.gz BLMBBTRRWCEOAC-OLMNPRSZSA-N 2 1 324.896 2.906 20 0 DFADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccnc1 ZINC000185366675 427642965 /nfs/dbraw/zinc/64/29/65/427642965.db2.gz FNHBPIQQHYLAGS-GOSISDBHSA-N 2 1 304.482 2.540 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000339066547 427658119 /nfs/dbraw/zinc/65/81/19/427658119.db2.gz FUYNYUUJYXZTCD-GWCFXTLKSA-N 2 1 302.340 2.857 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000339066547 427658122 /nfs/dbraw/zinc/65/81/22/427658122.db2.gz FUYNYUUJYXZTCD-GWCFXTLKSA-N 2 1 302.340 2.857 20 0 DFADMP c1cnn(Cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000339072138 427660925 /nfs/dbraw/zinc/66/09/25/427660925.db2.gz TXGROKIMTFVVCJ-RTBURBONSA-N 2 1 310.445 2.648 20 0 DFADMP C[N@H+](CCO)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000272176817 427663775 /nfs/dbraw/zinc/66/37/75/427663775.db2.gz IGDLRHRTTAOCRE-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP C[N@@H+](CCO)C1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000272176817 427663781 /nfs/dbraw/zinc/66/37/81/427663781.db2.gz IGDLRHRTTAOCRE-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP COC(=O)[C@H](C)C[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342443224 272014451 /nfs/dbraw/zinc/01/44/51/272014451.db2.gz CMASICIKBFFNGE-OAHLLOKOSA-N 2 1 315.417 2.503 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342443224 272014453 /nfs/dbraw/zinc/01/44/53/272014453.db2.gz CMASICIKBFFNGE-OAHLLOKOSA-N 2 1 315.417 2.503 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000342628322 272033047 /nfs/dbraw/zinc/03/30/47/272033047.db2.gz FXXIRLKNPVVKQD-FUHWJXTLSA-N 2 1 324.509 2.645 20 0 DFADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000294330711 427625282 /nfs/dbraw/zinc/62/52/82/427625282.db2.gz RPPOHNBITASWAH-UHFFFAOYSA-N 2 1 319.449 2.619 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1cccc(F)c1F ZINC000342748773 272049258 /nfs/dbraw/zinc/04/92/58/272049258.db2.gz IFKDYVBMXKPWRB-DJIMGWMZSA-N 2 1 324.415 2.691 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1cccc(F)c1F ZINC000342748773 272049260 /nfs/dbraw/zinc/04/92/60/272049260.db2.gz IFKDYVBMXKPWRB-DJIMGWMZSA-N 2 1 324.415 2.691 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1CNc1cc[nH+]cc1Br ZINC000342778615 272052523 /nfs/dbraw/zinc/05/25/23/272052523.db2.gz JPTNJZWIIRXQNA-GFCCVEGCSA-N 2 1 312.255 2.798 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNc1cc[nH+]cc1Br ZINC000342778615 272052525 /nfs/dbraw/zinc/05/25/25/272052525.db2.gz JPTNJZWIIRXQNA-GFCCVEGCSA-N 2 1 312.255 2.798 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000342859991 272063480 /nfs/dbraw/zinc/06/34/80/272063480.db2.gz MWQNNRIRWQUAHO-SOLBZPMBSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000342859991 272063482 /nfs/dbraw/zinc/06/34/82/272063482.db2.gz MWQNNRIRWQUAHO-SOLBZPMBSA-N 2 1 304.482 2.919 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1sccc1Cl ZINC000193097119 427666784 /nfs/dbraw/zinc/66/67/84/427666784.db2.gz RJPQAVCOROYBIP-GFCCVEGCSA-N 2 1 302.871 2.728 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Cc1cccs1 ZINC000343245971 272103424 /nfs/dbraw/zinc/10/34/24/272103424.db2.gz CFYISDKRGMFORO-RKTXRCNFSA-N 2 1 308.491 2.673 20 0 DFADMP Cc1ccccc1OCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000343254912 272106034 /nfs/dbraw/zinc/10/60/34/272106034.db2.gz ZHAIFOSZXVXXOJ-RCCFBDPRSA-N 2 1 318.461 2.511 20 0 DFADMP c1ccc(SCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000343265539 272108726 /nfs/dbraw/zinc/10/87/26/272108726.db2.gz DFEMTOZZOZTRRH-KZNAEPCWSA-N 2 1 320.502 2.916 20 0 DFADMP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000343266795 272109320 /nfs/dbraw/zinc/10/93/20/272109320.db2.gz HBGXKQRHVVDRDV-NCXUSEDFSA-N 2 1 324.509 2.719 20 0 DFADMP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]cc2C)[C@H]1c1ccccc1 ZINC000343320308 272117636 /nfs/dbraw/zinc/11/76/36/272117636.db2.gz LSJVNGGUWBRNOR-RBUKOAKNSA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]cc2C)[C@H]1c1ccccc1 ZINC000343320308 272117637 /nfs/dbraw/zinc/11/76/37/272117637.db2.gz LSJVNGGUWBRNOR-RBUKOAKNSA-N 2 1 311.429 2.686 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c2ccccc21 ZINC000343503432 272161729 /nfs/dbraw/zinc/16/17/29/272161729.db2.gz BBMSNPOWMDOMEF-MDZRGWNJSA-N 2 1 302.462 2.917 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1C ZINC000343676419 272199208 /nfs/dbraw/zinc/19/92/08/272199208.db2.gz TXERJIWOIMJLDG-QZTJIDSGSA-N 2 1 323.525 2.974 20 0 DFADMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000343743887 272210233 /nfs/dbraw/zinc/21/02/33/272210233.db2.gz WBCCLSKIOOTITP-NRFANRHFSA-N 2 1 306.475 2.531 20 0 DFADMP CN(CCC[N@@H+](C)[C@@H]1CCCc2ccccc21)CC[NH+](C)C ZINC000344009691 272248877 /nfs/dbraw/zinc/24/88/77/272248877.db2.gz BJXMMDMSISAOKH-LJQANCHMSA-N 2 1 303.494 2.879 20 0 DFADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344026919 272251923 /nfs/dbraw/zinc/25/19/23/272251923.db2.gz KCWOBBQADZYKOO-AWEZNQCLSA-N 2 1 313.436 2.841 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1NCC[NH+]1CCN(C)CC1 ZINC000272237482 427681512 /nfs/dbraw/zinc/68/15/12/427681512.db2.gz QEYSZXMUSUECJB-UHFFFAOYSA-N 2 1 312.461 2.765 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000344161130 272277419 /nfs/dbraw/zinc/27/74/19/272277419.db2.gz GDVHDCZYXYZJMK-LJQANCHMSA-N 2 1 319.468 2.820 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171403 272279507 /nfs/dbraw/zinc/27/95/07/272279507.db2.gz RVTYITIDCQMCGX-RBUKOAKNSA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171403 272279508 /nfs/dbraw/zinc/27/95/08/272279508.db2.gz RVTYITIDCQMCGX-RBUKOAKNSA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171403 272279511 /nfs/dbraw/zinc/27/95/11/272279511.db2.gz RVTYITIDCQMCGX-RBUKOAKNSA-N 2 1 320.452 2.537 20 0 DFADMP CCOC1CC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000344175773 272280134 /nfs/dbraw/zinc/28/01/34/272280134.db2.gz SUMZQQYOYSAOOP-UHFFFAOYSA-N 2 1 310.482 2.567 20 0 DFADMP C[N@H+](CCO)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000272240483 427682880 /nfs/dbraw/zinc/68/28/80/427682880.db2.gz QXIBZUPXUHCSHX-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP C[N@@H+](CCO)C1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000272240483 427682882 /nfs/dbraw/zinc/68/28/82/427682882.db2.gz QXIBZUPXUHCSHX-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344243735 272296041 /nfs/dbraw/zinc/29/60/41/272296041.db2.gz VSYAONYXTUKSJT-ZACQAIPSSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000344243735 272296043 /nfs/dbraw/zinc/29/60/43/272296043.db2.gz VSYAONYXTUKSJT-ZACQAIPSSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000344243735 272296045 /nfs/dbraw/zinc/29/60/45/272296045.db2.gz VSYAONYXTUKSJT-ZACQAIPSSA-N 2 1 323.525 2.734 20 0 DFADMP CCn1ccnc1[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344268783 272301261 /nfs/dbraw/zinc/30/12/61/272301261.db2.gz WWZKQZCBCCQPPM-CVEARBPZSA-N 2 1 320.481 2.586 20 0 DFADMP CCn1ccnc1[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344268787 272301795 /nfs/dbraw/zinc/30/17/95/272301795.db2.gz WWZKQZCBCCQPPM-JKSUJKDBSA-N 2 1 320.481 2.586 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000344278130 272303412 /nfs/dbraw/zinc/30/34/12/272303412.db2.gz XBYXBEBOHFIPCO-NEPXVJNWSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000344278130 272303413 /nfs/dbraw/zinc/30/34/13/272303413.db2.gz XBYXBEBOHFIPCO-NEPXVJNWSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000344278130 272303414 /nfs/dbraw/zinc/30/34/14/272303414.db2.gz XBYXBEBOHFIPCO-NEPXVJNWSA-N 2 1 301.478 2.752 20 0 DFADMP Cn1c2c(nc1[C@H]1CCCN1CC[C@H]1CCC[N@H+]1C)CCCC2 ZINC000344362669 272321003 /nfs/dbraw/zinc/32/10/03/272321003.db2.gz IQHJKDQPEGEBRO-CRAIPNDOSA-N 2 1 316.493 2.920 20 0 DFADMP O[C@]1(C[NH2+]Cc2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344549809 272336189 /nfs/dbraw/zinc/33/61/89/272336189.db2.gz PEVAFMIGXFZIDQ-IBGZPJMESA-N 2 1 314.404 2.552 20 0 DFADMP O[C@]1(C[NH2+]Cc2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344549809 272336191 /nfs/dbraw/zinc/33/61/91/272336191.db2.gz PEVAFMIGXFZIDQ-IBGZPJMESA-N 2 1 314.404 2.552 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000344659423 272352422 /nfs/dbraw/zinc/35/24/22/272352422.db2.gz MIOMNGCDAXPZMH-JFIYKMOQSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000344659423 272352424 /nfs/dbraw/zinc/35/24/24/272352424.db2.gz MIOMNGCDAXPZMH-JFIYKMOQSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000344659425 272352701 /nfs/dbraw/zinc/35/27/01/272352701.db2.gz MIOMNGCDAXPZMH-NUJGCVRESA-N 2 1 317.477 2.668 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000344659425 272352702 /nfs/dbraw/zinc/35/27/02/272352702.db2.gz MIOMNGCDAXPZMH-NUJGCVRESA-N 2 1 317.477 2.668 20 0 DFADMP COc1cc(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000344677066 272354948 /nfs/dbraw/zinc/35/49/48/272354948.db2.gz KRQBTVRTKUJQRE-WCQYABFASA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCN(C)[C@@H](C)C2)ccc1OC(F)F ZINC000344677066 272354949 /nfs/dbraw/zinc/35/49/49/272354949.db2.gz KRQBTVRTKUJQRE-WCQYABFASA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000344677066 272354950 /nfs/dbraw/zinc/35/49/50/272354950.db2.gz KRQBTVRTKUJQRE-WCQYABFASA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)ccc1OC(F)F ZINC000344677066 272354951 /nfs/dbraw/zinc/35/49/51/272354951.db2.gz KRQBTVRTKUJQRE-WCQYABFASA-N 2 1 314.376 2.869 20 0 DFADMP C[C@H]1C[C@H](NCc2cnn(-c3ccc(F)cc3)c2)CC[N@H+]1C ZINC000344677041 272354982 /nfs/dbraw/zinc/35/49/82/272354982.db2.gz KMBLUURRUDGHOU-XJKSGUPXSA-N 2 1 302.397 2.584 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCN1C ZINC000344677041 272354984 /nfs/dbraw/zinc/35/49/84/272354984.db2.gz KMBLUURRUDGHOU-XJKSGUPXSA-N 2 1 302.397 2.584 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1 ZINC000344719598 272360070 /nfs/dbraw/zinc/36/00/70/272360070.db2.gz YMHDFVGOSHJPIE-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1 ZINC000344719598 272360071 /nfs/dbraw/zinc/36/00/71/272360071.db2.gz YMHDFVGOSHJPIE-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1 ZINC000344719598 272360073 /nfs/dbraw/zinc/36/00/73/272360073.db2.gz YMHDFVGOSHJPIE-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000344718925 272360167 /nfs/dbraw/zinc/36/01/67/272360167.db2.gz GAFDADRLVPMXEQ-HZMVEIRTSA-N 2 1 321.509 2.581 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000344779595 272367720 /nfs/dbraw/zinc/36/77/20/272367720.db2.gz YVEQOXNOOXNTHQ-IAGOWNOFSA-N 2 1 319.497 2.533 20 0 DFADMP COc1ccncc1CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000287777747 427690256 /nfs/dbraw/zinc/69/02/56/427690256.db2.gz NHEDNYJUERBHKW-PBHICJAKSA-N 2 1 301.434 2.539 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)no1 ZINC000333882785 427700316 /nfs/dbraw/zinc/70/03/16/427700316.db2.gz UYBUJOAJJIEKHG-HOCLYGCPSA-N 2 1 321.465 2.690 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279568213 427702796 /nfs/dbraw/zinc/70/27/96/427702796.db2.gz SNAJYFVZEGUQKB-INIZCTEOSA-N 2 1 314.832 2.975 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)no1 ZINC000279600898 427713392 /nfs/dbraw/zinc/71/33/92/427713392.db2.gz PHUWZPMZIDBSPO-CYBMUJFWSA-N 2 1 315.421 2.709 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC000345263255 272441572 /nfs/dbraw/zinc/44/15/72/272441572.db2.gz NIZIWIYLAKAMEQ-HZPDHXFCSA-N 2 1 320.481 2.729 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000339180678 427719384 /nfs/dbraw/zinc/71/93/84/427719384.db2.gz DDTCBMOHXLXLNH-ULQDDVLXSA-N 2 1 322.493 2.962 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000336864993 427766186 /nfs/dbraw/zinc/76/61/86/427766186.db2.gz HPVWPYDCPFMNKH-WBVHZDCISA-N 2 1 309.498 2.665 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000336869616 427767433 /nfs/dbraw/zinc/76/74/33/427767433.db2.gz DDOPWSBYPIHGHO-IBGZPJMESA-N 2 1 313.445 2.915 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000336869616 427767435 /nfs/dbraw/zinc/76/74/35/427767435.db2.gz DDOPWSBYPIHGHO-IBGZPJMESA-N 2 1 313.445 2.915 20 0 DFADMP CO[C@H]1CC[N@H+](CCCCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000339407572 427769051 /nfs/dbraw/zinc/76/90/51/427769051.db2.gz PMIDMAXYMCPAIK-AEFFLSMTSA-N 2 1 306.450 2.674 20 0 DFADMP CO[C@H]1CC[N@@H+](CCCCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000339407572 427769054 /nfs/dbraw/zinc/76/90/54/427769054.db2.gz PMIDMAXYMCPAIK-AEFFLSMTSA-N 2 1 306.450 2.674 20 0 DFADMP CC[C@H](C)C[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000339407385 427769302 /nfs/dbraw/zinc/76/93/02/427769302.db2.gz KFJBOIZYBYKFOF-HOTGVXAUSA-N 2 1 304.482 2.893 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000336896256 427772571 /nfs/dbraw/zinc/77/25/71/427772571.db2.gz NULOFTDVTDMVAH-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336896256 427772573 /nfs/dbraw/zinc/77/25/73/427772573.db2.gz NULOFTDVTDMVAH-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336896256 427772575 /nfs/dbraw/zinc/77/25/75/427772575.db2.gz NULOFTDVTDMVAH-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336896256 427772577 /nfs/dbraw/zinc/77/25/77/427772577.db2.gz NULOFTDVTDMVAH-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336896256 427772579 /nfs/dbraw/zinc/77/25/79/427772579.db2.gz NULOFTDVTDMVAH-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000336896258 427772631 /nfs/dbraw/zinc/77/26/31/427772631.db2.gz NULOFTDVTDMVAH-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336896258 427772634 /nfs/dbraw/zinc/77/26/34/427772634.db2.gz NULOFTDVTDMVAH-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336896258 427772637 /nfs/dbraw/zinc/77/26/37/427772637.db2.gz NULOFTDVTDMVAH-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336896258 427772638 /nfs/dbraw/zinc/77/26/38/427772638.db2.gz NULOFTDVTDMVAH-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336896258 427772640 /nfs/dbraw/zinc/77/26/40/427772640.db2.gz NULOFTDVTDMVAH-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1ccc(NC(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339433319 427773957 /nfs/dbraw/zinc/77/39/57/427773957.db2.gz NUMBYZBNEQMPAG-IBGZPJMESA-N 2 1 315.461 2.660 20 0 DFADMP COC(=O)c1oc([C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000339433056 427773990 /nfs/dbraw/zinc/77/39/90/427773990.db2.gz IYDWVELPQLQBJO-KDOFPFPSSA-N 2 1 320.433 2.853 20 0 DFADMP Cc1nccnc1CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000339530318 427789115 /nfs/dbraw/zinc/78/91/15/427789115.db2.gz LZUOQHFHVWOOFJ-UHFFFAOYSA-N 2 1 310.445 2.582 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194026042 427727842 /nfs/dbraw/zinc/72/78/42/427727842.db2.gz QHLYWRRRKYQYJN-MXASKKJJSA-N 2 1 303.450 2.765 20 0 DFADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000339215824 427734329 /nfs/dbraw/zinc/73/43/29/427734329.db2.gz MCBTXLKTXYESPT-HZPDHXFCSA-N 2 1 307.438 2.683 20 0 DFADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000339215820 427734764 /nfs/dbraw/zinc/73/47/64/427734764.db2.gz MCBTXLKTXYESPT-CVEARBPZSA-N 2 1 307.438 2.683 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000339270987 427745904 /nfs/dbraw/zinc/74/59/04/427745904.db2.gz KLSKGKGTCWJALI-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656325 427746654 /nfs/dbraw/zinc/74/66/54/427746654.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336656325 427746656 /nfs/dbraw/zinc/74/66/56/427746656.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336656325 427746662 /nfs/dbraw/zinc/74/66/62/427746662.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656325 427746664 /nfs/dbraw/zinc/74/66/64/427746664.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656325 427746666 /nfs/dbraw/zinc/74/66/66/427746666.db2.gz MAAGTHUAWMUGNF-UHOSZYNNSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](O)C[NH+]1CCC(CN(C)c2cc[nH+]c3ccsc32)CC1 ZINC000301403224 427793811 /nfs/dbraw/zinc/79/38/11/427793811.db2.gz KBGXNIPVGPIFEB-ZDUSSCGKSA-N 2 1 319.474 2.825 20 0 DFADMP C[NH+](C)C1CCN(CCNc2cc[nH+]c3ccsc32)CC1 ZINC000301490388 427799519 /nfs/dbraw/zinc/79/95/19/427799519.db2.gz AREBWSNEKFMWBM-UHFFFAOYSA-N 2 1 304.463 2.734 20 0 DFADMP CC1CC[NH+](C[C@H](O)CNc2cc[nH+]c3ccsc32)CC1 ZINC000301573253 427806582 /nfs/dbraw/zinc/80/65/82/427806582.db2.gz YZEOUPZRZXKAJP-CYBMUJFWSA-N 2 1 305.447 2.801 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000339694443 427812845 /nfs/dbraw/zinc/81/28/45/427812845.db2.gz KGBBLDNREVAESQ-YESZJQIVSA-N 2 1 323.525 2.734 20 0 DFADMP CCc1cc(OC)ccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000337253016 427824889 /nfs/dbraw/zinc/82/48/89/427824889.db2.gz LLWPZMSGTWCFFG-MRXNPFEDSA-N 2 1 320.477 2.848 20 0 DFADMP CCc1cc(OC)ccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000337253015 427825135 /nfs/dbraw/zinc/82/51/35/427825135.db2.gz LLWPZMSGTWCFFG-INIZCTEOSA-N 2 1 320.477 2.848 20 0 DFADMP COC[C@H](CC(C)C)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000359400933 427835102 /nfs/dbraw/zinc/83/51/02/427835102.db2.gz DYZLWTTZTIGZLN-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@@H]1C ZINC000359408061 427839982 /nfs/dbraw/zinc/83/99/82/427839982.db2.gz JWPSYFHWKNUAHZ-ZOFXXKQRSA-N 2 1 308.466 2.571 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)cn1 ZINC000340422146 427842540 /nfs/dbraw/zinc/84/25/40/427842540.db2.gz QNLWURDOUCAJNW-OAHLLOKOSA-N 2 1 316.474 2.848 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)cn1 ZINC000340422146 427842547 /nfs/dbraw/zinc/84/25/47/427842547.db2.gz QNLWURDOUCAJNW-OAHLLOKOSA-N 2 1 316.474 2.848 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000340436637 427847606 /nfs/dbraw/zinc/84/76/06/427847606.db2.gz SPJHFXDSVJZOPF-WCQYABFASA-N 2 1 301.356 2.573 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340464547 427855380 /nfs/dbraw/zinc/85/53/80/427855380.db2.gz FUJLFRHGDJXJIZ-LSDHHAIUSA-N 2 1 307.486 2.502 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340464547 427855387 /nfs/dbraw/zinc/85/53/87/427855387.db2.gz FUJLFRHGDJXJIZ-LSDHHAIUSA-N 2 1 307.486 2.502 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OCCC(C)C ZINC000359477097 427867644 /nfs/dbraw/zinc/86/76/44/427867644.db2.gz VHNKLRNUVPKLFL-IRXDYDNUSA-N 2 1 318.461 2.771 20 0 DFADMP COc1cc2c(NCC[N@@H+]3CCOC[C@@H]3C)cc[nH+]c2cc1F ZINC000359482649 427870192 /nfs/dbraw/zinc/87/01/92/427870192.db2.gz MNOMRTDYERQURN-LBPRGKRZSA-N 2 1 319.380 2.515 20 0 DFADMP COc1cc2c(NCC[N@H+]3CCOC[C@@H]3C)cc[nH+]c2cc1F ZINC000359482649 427870197 /nfs/dbraw/zinc/87/01/97/427870197.db2.gz MNOMRTDYERQURN-LBPRGKRZSA-N 2 1 319.380 2.515 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(COC)CCC2)[C@@H](C)C1 ZINC000337377668 427873396 /nfs/dbraw/zinc/87/33/96/427873396.db2.gz BUDKEVFMLFUMPA-IRXDYDNUSA-N 2 1 312.498 2.530 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCC1 ZINC000359508807 427882112 /nfs/dbraw/zinc/88/21/12/427882112.db2.gz HMEZHPJQNWPSIE-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000359508807 427882123 /nfs/dbraw/zinc/88/21/23/427882123.db2.gz HMEZHPJQNWPSIE-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000359508807 427882127 /nfs/dbraw/zinc/88/21/27/427882127.db2.gz HMEZHPJQNWPSIE-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP COC(C)(C)CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000340576416 427884462 /nfs/dbraw/zinc/88/44/62/427884462.db2.gz KWJGTALKZCGBGX-KRWDZBQOSA-N 2 1 305.466 2.650 20 0 DFADMP COC(C)(C)CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000340576416 427884468 /nfs/dbraw/zinc/88/44/68/427884468.db2.gz KWJGTALKZCGBGX-KRWDZBQOSA-N 2 1 305.466 2.650 20 0 DFADMP COC(C)(C)CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000340576416 427884472 /nfs/dbraw/zinc/88/44/72/427884472.db2.gz KWJGTALKZCGBGX-KRWDZBQOSA-N 2 1 305.466 2.650 20 0 DFADMP COC(C)(C)CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000340576416 427884476 /nfs/dbraw/zinc/88/44/76/427884476.db2.gz KWJGTALKZCGBGX-KRWDZBQOSA-N 2 1 305.466 2.650 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000345745830 427885834 /nfs/dbraw/zinc/88/58/34/427885834.db2.gz ATFSPKUUVRFTFF-MJQMVNBJSA-N 2 1 323.525 2.768 20 0 DFADMP CC(C)[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000359519177 427887823 /nfs/dbraw/zinc/88/78/23/427887823.db2.gz RDSOECUCXBNBHO-ROUUACIJSA-N 2 1 323.525 2.830 20 0 DFADMP Cc1cc2ncn(C[C@H](O)C[N@@H+]3CCC[C@@H](C)C3)c2cc1C ZINC000303098404 427897963 /nfs/dbraw/zinc/89/79/63/427897963.db2.gz XSASUYWVXWUHHO-CZUORRHYSA-N 2 1 301.434 2.746 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000349918154 427899963 /nfs/dbraw/zinc/89/99/63/427899963.db2.gz AKHDSOASOMRPSN-HNNXBMFYSA-N 2 1 323.400 2.725 20 0 DFADMP c1nc2ccccc2n1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359457209 427860309 /nfs/dbraw/zinc/86/03/09/427860309.db2.gz IHWFEDIJVITRQT-CALCHBBNSA-N 2 1 318.424 2.677 20 0 DFADMP COCCOCCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340220894 427958148 /nfs/dbraw/zinc/95/81/48/427958148.db2.gz RBLRTLUWGBQPJX-MOPGFXCFSA-N 2 1 320.477 2.855 20 0 DFADMP COCCOCCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340220894 427958154 /nfs/dbraw/zinc/95/81/54/427958154.db2.gz RBLRTLUWGBQPJX-MOPGFXCFSA-N 2 1 320.477 2.855 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000340235870 427963329 /nfs/dbraw/zinc/96/33/29/427963329.db2.gz LBCYCROSTPGKMX-OAHLLOKOSA-N 2 1 323.481 2.907 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340260577 427969717 /nfs/dbraw/zinc/96/97/17/427969717.db2.gz SUQMGOQQMCQPFV-MSOLQXFVSA-N 2 1 310.445 2.919 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCNc2ccccn2)C[C@H]1c1ccccc1 ZINC000340260577 427969719 /nfs/dbraw/zinc/96/97/19/427969719.db2.gz SUQMGOQQMCQPFV-MSOLQXFVSA-N 2 1 310.445 2.919 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C[C@H]1c1ccccc1 ZINC000340262552 427971131 /nfs/dbraw/zinc/97/11/31/427971131.db2.gz LNBFOVVVAQRBPI-AOIWGVFYSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C[C@H]1c1ccccc1 ZINC000340262552 427971135 /nfs/dbraw/zinc/97/11/35/427971135.db2.gz LNBFOVVVAQRBPI-AOIWGVFYSA-N 2 1 310.445 2.692 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337599531 427975209 /nfs/dbraw/zinc/97/52/09/427975209.db2.gz MYYAOARHSQXFEJ-OIISXLGYSA-N 2 1 316.445 2.953 20 0 DFADMP Cc1noc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340288917 427978169 /nfs/dbraw/zinc/97/81/69/427978169.db2.gz DIYBPOVVMKKKIR-IRXDYDNUSA-N 2 1 314.433 2.736 20 0 DFADMP Cc1noc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340288917 427978173 /nfs/dbraw/zinc/97/81/73/427978173.db2.gz DIYBPOVVMKKKIR-IRXDYDNUSA-N 2 1 314.433 2.736 20 0 DFADMP Cc1cnc(CNC[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1C ZINC000341048019 427978592 /nfs/dbraw/zinc/97/85/92/427978592.db2.gz RPIURCZXBRTLAD-YOEHRIQHSA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cnc(CNC[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n1C ZINC000341048015 427979069 /nfs/dbraw/zinc/97/90/69/427979069.db2.gz RPIURCZXBRTLAD-PBHICJAKSA-N 2 1 318.490 2.963 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCn3ccnc3C2)C[C@H]1c1ccccc1 ZINC000340354919 427996002 /nfs/dbraw/zinc/99/60/02/427996002.db2.gz DYGYKNJYBKEUFX-BZSNNMDCSA-N 2 1 310.445 2.623 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCn3ccnc3C2)C[C@H]1c1ccccc1 ZINC000340354919 427996011 /nfs/dbraw/zinc/99/60/11/427996011.db2.gz DYGYKNJYBKEUFX-BZSNNMDCSA-N 2 1 310.445 2.623 20 0 DFADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317262 427985845 /nfs/dbraw/zinc/98/58/45/427985845.db2.gz VXFPNSDVJQZGJD-ZWKOTPCHSA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317262 427985849 /nfs/dbraw/zinc/98/58/49/427985849.db2.gz VXFPNSDVJQZGJD-ZWKOTPCHSA-N 2 1 317.477 2.574 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000376969326 428033114 /nfs/dbraw/zinc/03/31/14/428033114.db2.gz VSUCTDKDZZNLCV-HNNXBMFYSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000376969326 428033121 /nfs/dbraw/zinc/03/31/21/428033121.db2.gz VSUCTDKDZZNLCV-HNNXBMFYSA-N 2 1 315.417 2.595 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000341332934 428035593 /nfs/dbraw/zinc/03/55/93/428035593.db2.gz XSRTWAQJFREQBA-KDEOWCQBSA-N 2 1 302.462 2.931 20 0 DFADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@]2(CCCOC2)O1 ZINC000369714879 428042474 /nfs/dbraw/zinc/04/24/74/428042474.db2.gz MOOXGVWEQKKGTF-MSOLQXFVSA-N 2 1 321.465 2.632 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@]2(CCCOC2)O1 ZINC000369714879 428042477 /nfs/dbraw/zinc/04/24/77/428042477.db2.gz MOOXGVWEQKKGTF-MSOLQXFVSA-N 2 1 321.465 2.632 20 0 DFADMP C[NH+]1CCC([NH2+]CCCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000341372006 428050376 /nfs/dbraw/zinc/05/03/76/428050376.db2.gz JHDAGSBFPGCIMM-UHFFFAOYSA-N 2 1 317.355 2.553 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000359864198 428051644 /nfs/dbraw/zinc/05/16/44/428051644.db2.gz AUYVWWHSBBVSTB-UURKPOQGSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767850 428057062 /nfs/dbraw/zinc/05/70/62/428057062.db2.gz UWYJDVFHZKYBDF-FGMZYGIMSA-N 2 1 313.489 2.658 20 0 DFADMP C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767850 428057066 /nfs/dbraw/zinc/05/70/66/428057066.db2.gz UWYJDVFHZKYBDF-FGMZYGIMSA-N 2 1 313.489 2.658 20 0 DFADMP CSC1(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)CCC1 ZINC000356184217 428057100 /nfs/dbraw/zinc/05/71/00/428057100.db2.gz CXMVISYWNQVXAZ-UHFFFAOYSA-N 2 1 300.512 2.751 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000359741039 427997820 /nfs/dbraw/zinc/99/78/20/427997820.db2.gz BWNNHURVPWFWGC-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359741039 427997828 /nfs/dbraw/zinc/99/78/28/427997828.db2.gz BWNNHURVPWFWGC-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359741039 427997837 /nfs/dbraw/zinc/99/78/37/427997837.db2.gz BWNNHURVPWFWGC-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP COC1(C[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCCC1 ZINC000359740747 427998787 /nfs/dbraw/zinc/99/87/87/427998787.db2.gz CCXGNFDOIGGYCZ-UHFFFAOYSA-N 2 1 310.482 2.570 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000340363545 428001430 /nfs/dbraw/zinc/00/14/30/428001430.db2.gz FYCVQDXFZFASIM-OYSTVDSJSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@H]1c1ccccc1 ZINC000340363545 428001434 /nfs/dbraw/zinc/00/14/34/428001434.db2.gz FYCVQDXFZFASIM-OYSTVDSJSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(CO)cc1)CC2)C1CC1 ZINC000376824649 428006843 /nfs/dbraw/zinc/00/68/43/428006843.db2.gz XKCGWVMOZXIVNV-SFHVURJKSA-N 2 1 314.473 2.875 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000359776145 428015813 /nfs/dbraw/zinc/01/58/13/428015813.db2.gz VREFZBPIDDNBDN-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346225705 428078365 /nfs/dbraw/zinc/07/83/65/428078365.db2.gz SIXCVTCNIBQVKC-AWEZNQCLSA-N 2 1 304.463 2.707 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346225705 428078368 /nfs/dbraw/zinc/07/83/68/428078368.db2.gz SIXCVTCNIBQVKC-AWEZNQCLSA-N 2 1 304.463 2.707 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346225705 428078372 /nfs/dbraw/zinc/07/83/72/428078372.db2.gz SIXCVTCNIBQVKC-AWEZNQCLSA-N 2 1 304.463 2.707 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000359934925 428082909 /nfs/dbraw/zinc/08/29/09/428082909.db2.gz OCHMVBCUWFEMBN-BTHPGYMESA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+]2CCCC[C@H]12 ZINC000359934925 428082914 /nfs/dbraw/zinc/08/29/14/428082914.db2.gz OCHMVBCUWFEMBN-BTHPGYMESA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359934925 428082919 /nfs/dbraw/zinc/08/29/19/428082919.db2.gz OCHMVBCUWFEMBN-BTHPGYMESA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359934925 428082925 /nfs/dbraw/zinc/08/29/25/428082925.db2.gz OCHMVBCUWFEMBN-BTHPGYMESA-N 2 1 313.489 2.723 20 0 DFADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000341525393 428090516 /nfs/dbraw/zinc/09/05/16/428090516.db2.gz YATPUHLHCDPHJX-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000341525393 428090521 /nfs/dbraw/zinc/09/05/21/428090521.db2.gz YATPUHLHCDPHJX-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000341525393 428090527 /nfs/dbraw/zinc/09/05/27/428090527.db2.gz YATPUHLHCDPHJX-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]CCCCCOc2ccccc2)CC1 ZINC000351505086 428095193 /nfs/dbraw/zinc/09/51/93/428095193.db2.gz ZHHPHVPFXMKUHF-UHFFFAOYSA-N 2 1 320.477 2.672 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000346266886 428099934 /nfs/dbraw/zinc/09/99/34/428099934.db2.gz IYSXWLUROJGAPL-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000346266886 428099937 /nfs/dbraw/zinc/09/99/37/428099937.db2.gz IYSXWLUROJGAPL-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP Cc1cnc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000377337837 428107933 /nfs/dbraw/zinc/10/79/33/428107933.db2.gz QLTUFSBPLDFDCV-ZWKOTPCHSA-N 2 1 311.429 2.937 20 0 DFADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000360000369 428110888 /nfs/dbraw/zinc/11/08/88/428110888.db2.gz RRIXJRWSKWSYLH-ARFHVFGLSA-N 2 1 300.512 2.609 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860492 428114063 /nfs/dbraw/zinc/11/40/63/428114063.db2.gz ISVCTVPWCGDRJJ-DGCLKSJQSA-N 2 1 320.824 2.602 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[NH+](C)C ZINC000413717079 428117638 /nfs/dbraw/zinc/11/76/38/428117638.db2.gz VLBCSKFDAWYRAB-ROUUACIJSA-N 2 1 319.493 2.599 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000346346620 428137125 /nfs/dbraw/zinc/13/71/25/428137125.db2.gz XHYPTOSUIVEJBK-BBWFWOEESA-N 2 1 309.498 2.582 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccs3)C2)nc(C)[nH+]1 ZINC000360095632 428158800 /nfs/dbraw/zinc/15/88/00/428158800.db2.gz MWDSUZPQOQUFKC-CQSZACIVSA-N 2 1 302.447 2.914 20 0 DFADMP c1ccc2c(c1)CC[C@]1(CC[N@@H+](CCC[NH+]3CCCC3)C1)O2 ZINC000377659763 428184018 /nfs/dbraw/zinc/18/40/18/428184018.db2.gz PWUOERYNXPBMBW-LJQANCHMSA-N 2 1 300.446 2.942 20 0 DFADMP c1ccc2c(c1)CC[C@]1(CC[N@H+](CCC[NH+]3CCCC3)C1)O2 ZINC000377659763 428184025 /nfs/dbraw/zinc/18/40/25/428184025.db2.gz PWUOERYNXPBMBW-LJQANCHMSA-N 2 1 300.446 2.942 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CC[C@H](O)c2ccccc2)CC1 ZINC000377570398 428161194 /nfs/dbraw/zinc/16/11/94/428161194.db2.gz GKTBNJIRIVXTGB-SFHVURJKSA-N 2 1 313.445 2.798 20 0 DFADMP CC[N@H+]1C[C@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000360114628 428167629 /nfs/dbraw/zinc/16/76/29/428167629.db2.gz HZLXISVFZOWYGK-HOTGVXAUSA-N 2 1 307.457 2.672 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)[C@H](C)C1 ZINC000352633521 428174958 /nfs/dbraw/zinc/17/49/58/428174958.db2.gz OXYWOUFXTWPSHG-PMPSAXMXSA-N 2 1 300.512 2.609 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000346444924 428175069 /nfs/dbraw/zinc/17/50/69/428175069.db2.gz MLMRBDXGFMMXNH-NEPJUHHUSA-N 2 1 314.367 2.708 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000346444924 428175070 /nfs/dbraw/zinc/17/50/70/428175070.db2.gz MLMRBDXGFMMXNH-NEPJUHHUSA-N 2 1 314.367 2.708 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000346444924 428175071 /nfs/dbraw/zinc/17/50/71/428175071.db2.gz MLMRBDXGFMMXNH-NEPJUHHUSA-N 2 1 314.367 2.708 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@](C)(O)C2CCCCC2)s1 ZINC000352708117 428214141 /nfs/dbraw/zinc/21/41/41/428214141.db2.gz VLVSOUZLAJBNPQ-INIZCTEOSA-N 2 1 311.495 2.626 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000352770615 428240815 /nfs/dbraw/zinc/24/08/15/428240815.db2.gz NEUZNUPYPRCJBV-JQHSSLGASA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000352770615 428240817 /nfs/dbraw/zinc/24/08/17/428240817.db2.gz NEUZNUPYPRCJBV-JQHSSLGASA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000352770615 428240818 /nfs/dbraw/zinc/24/08/18/428240818.db2.gz NEUZNUPYPRCJBV-JQHSSLGASA-N 2 1 322.880 2.832 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377758720 428219809 /nfs/dbraw/zinc/21/98/09/428219809.db2.gz DITRYDWEKAHJLJ-RTBURBONSA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377758720 428219814 /nfs/dbraw/zinc/21/98/14/428219814.db2.gz DITRYDWEKAHJLJ-RTBURBONSA-N 2 1 319.468 2.989 20 0 DFADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360241652 428220090 /nfs/dbraw/zinc/22/00/90/428220090.db2.gz KHRYOCXTBKQTFN-CABCVRRESA-N 2 1 308.491 2.906 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCO3)CC2)oc1C ZINC000346568586 428222457 /nfs/dbraw/zinc/22/24/57/428222457.db2.gz UOBKUZGVJIQNSL-RHSMWYFYSA-N 2 1 321.465 2.661 20 0 DFADMP C([NH+]1C[C@H]2CCCC[C@H]21)C1(C[N@H+]2C[C@H]3CCCC[C@H]32)COC1 ZINC000377768264 428223002 /nfs/dbraw/zinc/22/30/02/428223002.db2.gz PVFCXFXBRGGDKV-BRSBDYLESA-N 2 1 304.478 2.752 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(OC)CC2)[C@H](C)C1 ZINC000414180216 428227141 /nfs/dbraw/zinc/22/71/41/428227141.db2.gz LLENMVKYZBATIC-CPFNUKBASA-N 2 1 312.498 2.671 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000370553610 428237899 /nfs/dbraw/zinc/23/78/99/428237899.db2.gz HWRUEKWKRZOBBD-AWEZNQCLSA-N 2 1 319.371 2.751 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000370553610 428237908 /nfs/dbraw/zinc/23/79/08/428237908.db2.gz HWRUEKWKRZOBBD-AWEZNQCLSA-N 2 1 319.371 2.751 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[C@H]1C ZINC000414068383 428197032 /nfs/dbraw/zinc/19/70/32/428197032.db2.gz BAQMRFXWYJKGPB-UYKLPWQDSA-N 2 1 302.462 2.504 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1C[C@H]1C ZINC000414068383 428197038 /nfs/dbraw/zinc/19/70/38/428197038.db2.gz BAQMRFXWYJKGPB-UYKLPWQDSA-N 2 1 302.462 2.504 20 0 DFADMP Cc1cccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000377698336 428198160 /nfs/dbraw/zinc/19/81/60/428198160.db2.gz MKQQWUXZRRNTQU-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1cccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1C ZINC000377698336 428198162 /nfs/dbraw/zinc/19/81/62/428198162.db2.gz MKQQWUXZRRNTQU-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000414088592 428203558 /nfs/dbraw/zinc/20/35/58/428203558.db2.gz CAYFMBWDHYGJMW-QAPCUYQASA-N 2 1 317.477 2.875 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000414088592 428203564 /nfs/dbraw/zinc/20/35/64/428203564.db2.gz CAYFMBWDHYGJMW-QAPCUYQASA-N 2 1 317.477 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000352684550 428203881 /nfs/dbraw/zinc/20/38/81/428203881.db2.gz ORSDYPMQPBEESB-NSISKUIASA-N 2 1 313.489 2.896 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000352684550 428203888 /nfs/dbraw/zinc/20/38/88/428203888.db2.gz ORSDYPMQPBEESB-NSISKUIASA-N 2 1 313.489 2.896 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1ccccn1 ZINC000346678544 428271569 /nfs/dbraw/zinc/27/15/69/428271569.db2.gz LRKPLTPPZMOCMZ-HZPDHXFCSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000346685531 428272707 /nfs/dbraw/zinc/27/27/07/428272707.db2.gz SQADSWGTMCEZEE-TZMCWYRMSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000346685531 428272709 /nfs/dbraw/zinc/27/27/09/428272709.db2.gz SQADSWGTMCEZEE-TZMCWYRMSA-N 2 1 304.825 2.695 20 0 DFADMP CCC(CC)(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346684450 428272914 /nfs/dbraw/zinc/27/29/14/428272914.db2.gz PUXHTIQGJIYJHW-DLBZAZTESA-N 2 1 323.525 2.783 20 0 DFADMP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CCC[NH2+]CC2)cc1 ZINC000346685633 428273054 /nfs/dbraw/zinc/27/30/54/428273054.db2.gz IPTWBHBVHOQXQA-UHFFFAOYSA-N 2 1 306.413 2.821 20 0 DFADMP c1nc2ccccc2n1-c1ccc(C[N@H+]2CCC[NH2+]CC2)cc1 ZINC000346685633 428273059 /nfs/dbraw/zinc/27/30/59/428273059.db2.gz IPTWBHBVHOQXQA-UHFFFAOYSA-N 2 1 306.413 2.821 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346689740 428273247 /nfs/dbraw/zinc/27/32/47/428273247.db2.gz SOJZKRHCEXLHAY-IUODEOHRSA-N 2 1 316.424 2.797 20 0 DFADMP CCC(CC)(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346684455 428274518 /nfs/dbraw/zinc/27/45/18/428274518.db2.gz PUXHTIQGJIYJHW-SJORKVTESA-N 2 1 323.525 2.783 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000346692538 428276198 /nfs/dbraw/zinc/27/61/98/428276198.db2.gz ZSVNDWAVDNDHCU-JKSUJKDBSA-N 2 1 311.429 2.830 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2CC(C)=C[C@H](C)C2)CC1 ZINC000352855616 428282780 /nfs/dbraw/zinc/28/27/80/428282780.db2.gz TVYBCNJZKCPXFF-PKOBYXMFSA-N 2 1 307.526 2.986 20 0 DFADMP Cc1ccccc1[C@H](C)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000370732879 428285755 /nfs/dbraw/zinc/28/57/55/428285755.db2.gz SJHLHRKJLSHNRW-ZWKOTPCHSA-N 2 1 301.478 2.768 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000360415039 428288756 /nfs/dbraw/zinc/28/87/56/428288756.db2.gz VASHGEKKWPVYML-XLIONFOSSA-N 2 1 315.505 2.889 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000360428494 428293723 /nfs/dbraw/zinc/29/37/23/428293723.db2.gz NXORGPDJGPSGKZ-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342091806 428296334 /nfs/dbraw/zinc/29/63/34/428296334.db2.gz CSXMSAROECQCOH-MWDXBVQZSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000342091806 428296340 /nfs/dbraw/zinc/29/63/40/428296340.db2.gz CSXMSAROECQCOH-MWDXBVQZSA-N 2 1 315.461 2.690 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377862109 428246574 /nfs/dbraw/zinc/24/65/74/428246574.db2.gz VHYTYJKRMKUFBP-OAHLLOKOSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377862109 428246579 /nfs/dbraw/zinc/24/65/79/428246579.db2.gz VHYTYJKRMKUFBP-OAHLLOKOSA-N 2 1 312.417 2.536 20 0 DFADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCn2ccnc2C1 ZINC000377853577 428248353 /nfs/dbraw/zinc/24/83/53/428248353.db2.gz ARNBKZAJYZQXER-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377853577 428248357 /nfs/dbraw/zinc/24/83/57/428248357.db2.gz ARNBKZAJYZQXER-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377853577 428248362 /nfs/dbraw/zinc/24/83/62/428248362.db2.gz ARNBKZAJYZQXER-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346631805 428249617 /nfs/dbraw/zinc/24/96/17/428249617.db2.gz CLJRWHUBONXJOX-DOMZBBRYSA-N 2 1 316.424 2.797 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2C1 ZINC000352790271 428251585 /nfs/dbraw/zinc/25/15/85/428251585.db2.gz RLBWAXBSMGMVHR-LJHODMEESA-N 2 1 315.461 2.552 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2C1 ZINC000352790271 428251590 /nfs/dbraw/zinc/25/15/90/428251590.db2.gz RLBWAXBSMGMVHR-LJHODMEESA-N 2 1 315.461 2.552 20 0 DFADMP Cc1cc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)nn1C ZINC000414290723 428253089 /nfs/dbraw/zinc/25/30/89/428253089.db2.gz AKTLGALHFBQIEN-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)nn1C ZINC000414290723 428253091 /nfs/dbraw/zinc/25/30/91/428253091.db2.gz AKTLGALHFBQIEN-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1(C)C ZINC000370620339 428254004 /nfs/dbraw/zinc/25/40/04/428254004.db2.gz PEEGUHXCWWNMIB-MDMSPXHWSA-N 2 1 324.509 2.669 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1(C)C ZINC000370620339 428254009 /nfs/dbraw/zinc/25/40/09/428254009.db2.gz PEEGUHXCWWNMIB-MDMSPXHWSA-N 2 1 324.509 2.669 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000370616210 428255151 /nfs/dbraw/zinc/25/51/51/428255151.db2.gz PTEZDBITQVPIEJ-WMLDXEAASA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC[N@H+]1C ZINC000370616210 428255157 /nfs/dbraw/zinc/25/51/57/428255157.db2.gz PTEZDBITQVPIEJ-WMLDXEAASA-N 2 1 305.441 2.867 20 0 DFADMP Cn1c(CC[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)nc2ccccc21 ZINC000370626852 428257807 /nfs/dbraw/zinc/25/78/07/428257807.db2.gz MZWGYXIESBYWIP-OAHLLOKOSA-N 2 1 323.444 2.507 20 0 DFADMP Cn1c(CC[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)nc2ccccc21 ZINC000370626852 428257813 /nfs/dbraw/zinc/25/78/13/428257813.db2.gz MZWGYXIESBYWIP-OAHLLOKOSA-N 2 1 323.444 2.507 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000370637303 428259504 /nfs/dbraw/zinc/25/95/04/428259504.db2.gz NIZWWWBQZFJVQY-MRXNPFEDSA-N 2 1 319.493 2.984 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000370637303 428259511 /nfs/dbraw/zinc/25/95/11/428259511.db2.gz NIZWWWBQZFJVQY-MRXNPFEDSA-N 2 1 319.493 2.984 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114266 428305894 /nfs/dbraw/zinc/30/58/94/428305894.db2.gz CDQOBYUCRXUOLQ-QEJZJMRPSA-N 2 1 316.424 2.755 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342114266 428305898 /nfs/dbraw/zinc/30/58/98/428305898.db2.gz CDQOBYUCRXUOLQ-QEJZJMRPSA-N 2 1 316.424 2.755 20 0 DFADMP C[N@@H+](CCc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000352921735 428314542 /nfs/dbraw/zinc/31/45/42/428314542.db2.gz KZNFSBNDRSSPGH-SJPCQFCGSA-N 2 1 316.445 2.557 20 0 DFADMP C[NH+](CCc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000352921735 428314550 /nfs/dbraw/zinc/31/45/50/428314550.db2.gz KZNFSBNDRSSPGH-SJPCQFCGSA-N 2 1 316.445 2.557 20 0 DFADMP C[NH+](CCc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921735 428314557 /nfs/dbraw/zinc/31/45/57/428314557.db2.gz KZNFSBNDRSSPGH-SJPCQFCGSA-N 2 1 316.445 2.557 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000378126018 428315277 /nfs/dbraw/zinc/31/52/77/428315277.db2.gz AARGBPUSSBRYQQ-SXLOBPIMSA-N 2 1 319.537 2.938 20 0 DFADMP COCC[C@H](C)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414486294 428316696 /nfs/dbraw/zinc/31/66/96/428316696.db2.gz SYRMRRDHTZJQDO-ZDUSSCGKSA-N 2 1 311.495 2.672 20 0 DFADMP COCC[C@H](C)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414486294 428316698 /nfs/dbraw/zinc/31/66/98/428316698.db2.gz SYRMRRDHTZJQDO-ZDUSSCGKSA-N 2 1 311.495 2.672 20 0 DFADMP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000360485168 428316786 /nfs/dbraw/zinc/31/67/86/428316786.db2.gz STILZJRQTIOWIN-HZPDHXFCSA-N 2 1 307.438 2.683 20 0 DFADMP CN1CC[C@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@H]2C1 ZINC000352928162 428317243 /nfs/dbraw/zinc/31/72/43/428317243.db2.gz CBUGUSHTVZBMOT-RDJZCZTQSA-N 2 1 300.446 2.926 20 0 DFADMP CN1CC[C@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@H]2C1 ZINC000352928162 428317247 /nfs/dbraw/zinc/31/72/47/428317247.db2.gz CBUGUSHTVZBMOT-RDJZCZTQSA-N 2 1 300.446 2.926 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801508 428321107 /nfs/dbraw/zinc/32/11/07/428321107.db2.gz SQGYJVUGLKFWKY-GYSYKLTISA-N 2 1 300.368 2.965 20 0 DFADMP COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000378165470 428322901 /nfs/dbraw/zinc/32/29/01/428322901.db2.gz GCJGNWWZNUVOFD-IKGGRYGDSA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000378165470 428322909 /nfs/dbraw/zinc/32/29/09/428322909.db2.gz GCJGNWWZNUVOFD-IKGGRYGDSA-N 2 1 317.477 2.736 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000356825799 428324504 /nfs/dbraw/zinc/32/45/04/428324504.db2.gz ATUZLVPSCQQVGO-IEBWSBKVSA-N 2 1 320.477 2.540 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@H]21 ZINC000346813221 428327911 /nfs/dbraw/zinc/32/79/11/428327911.db2.gz ADAMEXVPOWTHQE-FVQBIDKESA-N 2 1 310.388 2.890 20 0 DFADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346817951 428328775 /nfs/dbraw/zinc/32/87/75/428328775.db2.gz BQJKUDGUHOYWGZ-NWANDNLSSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346817951 428328779 /nfs/dbraw/zinc/32/87/79/428328779.db2.gz BQJKUDGUHOYWGZ-NWANDNLSSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346817952 428329793 /nfs/dbraw/zinc/32/97/93/428329793.db2.gz BQJKUDGUHOYWGZ-QEJZJMRPSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346817952 428329796 /nfs/dbraw/zinc/32/97/96/428329796.db2.gz BQJKUDGUHOYWGZ-QEJZJMRPSA-N 2 1 309.251 2.927 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C[C@H]12 ZINC000346827291 428333853 /nfs/dbraw/zinc/33/38/53/428333853.db2.gz IAOQYWSZPPZKFL-ITDIGPHOSA-N 2 1 318.371 2.524 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C[C@H]12 ZINC000346827291 428333856 /nfs/dbraw/zinc/33/38/56/428333856.db2.gz IAOQYWSZPPZKFL-ITDIGPHOSA-N 2 1 318.371 2.524 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378209232 428335608 /nfs/dbraw/zinc/33/56/08/428335608.db2.gz JYQUECGBASSKBR-RRFJBIMHSA-N 2 1 306.454 2.543 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)cc1OC ZINC000346837221 428339283 /nfs/dbraw/zinc/33/92/83/428339283.db2.gz PQJGXBAXEIFCFS-HOCLYGCPSA-N 2 1 304.434 2.840 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H](CO)C3)sc2C1 ZINC000414569112 428346683 /nfs/dbraw/zinc/34/66/83/428346683.db2.gz IGKYWFWXJYKWLV-KBPBESRZSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H](CO)C3)sc2C1 ZINC000414569112 428346688 /nfs/dbraw/zinc/34/66/88/428346688.db2.gz IGKYWFWXJYKWLV-KBPBESRZSA-N 2 1 323.506 2.550 20 0 DFADMP C[N@@H+](CCc1cccc(NC(=O)C2CC[NH+](C)CC2)c1)C1CC1 ZINC000342209301 428350879 /nfs/dbraw/zinc/35/08/79/428350879.db2.gz DEZCQHZYISYGDE-UHFFFAOYSA-N 2 1 315.461 2.604 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444573 428299283 /nfs/dbraw/zinc/29/92/83/428299283.db2.gz QAVUSCBGOAUROT-DGCLKSJQSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444573 428299290 /nfs/dbraw/zinc/29/92/90/428299290.db2.gz QAVUSCBGOAUROT-DGCLKSJQSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444573 428299298 /nfs/dbraw/zinc/29/92/98/428299298.db2.gz QAVUSCBGOAUROT-DGCLKSJQSA-N 2 1 312.360 2.780 20 0 DFADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414735112 428390061 /nfs/dbraw/zinc/39/00/61/428390061.db2.gz BXUNOHTXSDPCSE-GJZGRUSLSA-N 2 1 306.450 2.914 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CCNC[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746361 428393888 /nfs/dbraw/zinc/39/38/88/428393888.db2.gz ZDSVMGOJXDWDQZ-CKEIUWERSA-N 2 1 307.869 2.674 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746361 428393892 /nfs/dbraw/zinc/39/38/92/428393892.db2.gz ZDSVMGOJXDWDQZ-CKEIUWERSA-N 2 1 307.869 2.674 20 0 DFADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2cc(F)ccc2F)CC1 ZINC000378434722 428394889 /nfs/dbraw/zinc/39/48/89/428394889.db2.gz LMYJTWRXALKZKB-UHFFFAOYSA-N 2 1 324.415 2.899 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000378428681 428394964 /nfs/dbraw/zinc/39/49/64/428394964.db2.gz JXMAVTKPHGPREV-YTQUADARSA-N 2 1 318.461 2.845 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000378428681 428394966 /nfs/dbraw/zinc/39/49/66/428394966.db2.gz JXMAVTKPHGPREV-YTQUADARSA-N 2 1 318.461 2.845 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000414761312 428395287 /nfs/dbraw/zinc/39/52/87/428395287.db2.gz SPWXTRMMWFGQCM-GOSISDBHSA-N 2 1 304.478 2.677 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414768070 428396849 /nfs/dbraw/zinc/39/68/49/428396849.db2.gz LCENEQSPMSZVFT-CALCHBBNSA-N 2 1 310.445 2.817 20 0 DFADMP Cc1nc(COc2ccc(C[N@H+](C)C3CC([NH3+])C3)cc2)cs1 ZINC000414768761 428397038 /nfs/dbraw/zinc/39/70/38/428397038.db2.gz IVVCLIVCOWRGCP-UHFFFAOYSA-N 2 1 317.458 2.952 20 0 DFADMP Fc1ccc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2c1 ZINC000414766238 428397415 /nfs/dbraw/zinc/39/74/15/428397415.db2.gz HHQIVUIQRYKHPT-TXEJJXNPSA-N 2 1 305.422 2.867 20 0 DFADMP C[C@H]1Oc2cc(F)ccc2[C@@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000342312027 428397662 /nfs/dbraw/zinc/39/76/62/428397662.db2.gz JVZQVSMZWGXGBT-QLJPJBMISA-N 2 1 321.421 2.956 20 0 DFADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414764717 428398937 /nfs/dbraw/zinc/39/89/37/428398937.db2.gz OUFZBHXEKBYLMW-ZACQAIPSSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000346995295 428400321 /nfs/dbraw/zinc/40/03/21/428400321.db2.gz BFBFFSCPFKXPTE-ABAIWWIYSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000346995295 428400336 /nfs/dbraw/zinc/40/03/36/428400336.db2.gz BFBFFSCPFKXPTE-ABAIWWIYSA-N 2 1 304.825 2.899 20 0 DFADMP OCCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000346994681 428400638 /nfs/dbraw/zinc/40/06/38/428400638.db2.gz UXRAOQGNIKCXJM-QFBILLFUSA-N 2 1 302.462 2.748 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(C)C ZINC000414772114 428401601 /nfs/dbraw/zinc/40/16/01/428401601.db2.gz SWWXGUYHHVXDHO-CALCHBBNSA-N 2 1 318.461 2.914 20 0 DFADMP OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000346998834 428402064 /nfs/dbraw/zinc/40/20/64/428402064.db2.gz XYMGJYYVKKRADF-CYBMUJFWSA-N 2 1 317.260 2.787 20 0 DFADMP OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC[NH2+]C1 ZINC000346998834 428402068 /nfs/dbraw/zinc/40/20/68/428402068.db2.gz XYMGJYYVKKRADF-CYBMUJFWSA-N 2 1 317.260 2.787 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1[NH3+] ZINC000346998358 428403338 /nfs/dbraw/zinc/40/33/38/428403338.db2.gz CSJVMEBHCOJIBT-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@H]1[NH3+] ZINC000346998358 428403346 /nfs/dbraw/zinc/40/33/46/428403346.db2.gz CSJVMEBHCOJIBT-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CC12CCOCC2 ZINC000414780922 428403899 /nfs/dbraw/zinc/40/38/99/428403899.db2.gz MDKNMEKRCFFISA-YLSAJCSVSA-N 2 1 322.399 2.665 20 0 DFADMP Clc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780367 428404687 /nfs/dbraw/zinc/40/46/87/428404687.db2.gz LKLNUTKXLQLKGE-KGLIPLIRSA-N 2 1 318.852 2.809 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414778566 428405114 /nfs/dbraw/zinc/40/51/14/428405114.db2.gz JCMGGNQXVUGYGD-LSDHHAIUSA-N 2 1 322.522 2.811 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785727 428406371 /nfs/dbraw/zinc/40/63/71/428406371.db2.gz TUTJEAGZCHCDRS-ROUUACIJSA-N 2 1 314.477 2.503 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000414782718 428406455 /nfs/dbraw/zinc/40/64/55/428406455.db2.gz ORYUXMYJLLUXJW-GJZGRUSLSA-N 2 1 304.482 2.539 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414786120 428409373 /nfs/dbraw/zinc/40/93/73/428409373.db2.gz UCHLMZPLQFKMIN-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414786120 428409378 /nfs/dbraw/zinc/40/93/78/428409378.db2.gz UCHLMZPLQFKMIN-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC12CCOCC2 ZINC000414788095 428411370 /nfs/dbraw/zinc/41/13/70/428411370.db2.gz WFFQPWOMDXYMLF-AWEZNQCLSA-N 2 1 318.392 2.759 20 0 DFADMP COCCCC[N@@H+](C)[C@@H]1CCC[NH+](CCCCOC)CC1 ZINC000371097386 428359825 /nfs/dbraw/zinc/35/98/25/428359825.db2.gz BOCTTXDMXHBUSP-QGZVFWFLSA-N 2 1 300.487 2.626 20 0 DFADMP COCCCC[NH+](C)[C@@H]1CCC[N@H+](CCCCOC)CC1 ZINC000371097386 428359829 /nfs/dbraw/zinc/35/98/29/428359829.db2.gz BOCTTXDMXHBUSP-QGZVFWFLSA-N 2 1 300.487 2.626 20 0 DFADMP COCCCC[NH+](C)[C@@H]1CCC[N@@H+](CCCCOC)CC1 ZINC000371097386 428359832 /nfs/dbraw/zinc/35/98/32/428359832.db2.gz BOCTTXDMXHBUSP-QGZVFWFLSA-N 2 1 300.487 2.626 20 0 DFADMP Fc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1OC(F)F ZINC000371107784 428362594 /nfs/dbraw/zinc/36/25/94/428362594.db2.gz GNIFVQRIJCUXMH-NSHDSACASA-N 2 1 311.307 2.728 20 0 DFADMP CCc1nc([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000360603942 428365993 /nfs/dbraw/zinc/36/59/93/428365993.db2.gz GRYOYJAPVDWYLB-OAHLLOKOSA-N 2 1 317.437 2.797 20 0 DFADMP CCc1nc([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000360603942 428365999 /nfs/dbraw/zinc/36/59/99/428365999.db2.gz GRYOYJAPVDWYLB-OAHLLOKOSA-N 2 1 317.437 2.797 20 0 DFADMP C[C@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669066 428369821 /nfs/dbraw/zinc/36/98/21/428369821.db2.gz BEMTXNBNZNYQFL-KGLIPLIRSA-N 2 1 323.868 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000371158080 428370500 /nfs/dbraw/zinc/37/05/00/428370500.db2.gz ZYLJRBUISSPRAI-HOTGVXAUSA-N 2 1 318.465 2.560 20 0 DFADMP CC1CC[NH+](CCN2CC[C@@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000372038758 428413502 /nfs/dbraw/zinc/41/35/02/428413502.db2.gz YJPDQMSOXVHBSW-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689841 428374969 /nfs/dbraw/zinc/37/49/69/428374969.db2.gz LWFPFIMMNXYTOI-FCGDIQPGSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689841 428374974 /nfs/dbraw/zinc/37/49/74/428374974.db2.gz LWFPFIMMNXYTOI-FCGDIQPGSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689841 428374980 /nfs/dbraw/zinc/37/49/80/428374980.db2.gz LWFPFIMMNXYTOI-FCGDIQPGSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414690217 428375806 /nfs/dbraw/zinc/37/58/06/428375806.db2.gz HKOZDMFVDHMDRL-JTDSTZFVSA-N 2 1 302.462 2.746 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2CC2CCCCC2)C1 ZINC000414687781 428376037 /nfs/dbraw/zinc/37/60/37/428376037.db2.gz IBGRHJAZYPZDFO-ZWKOTPCHSA-N 2 1 321.509 2.619 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414688776 428376316 /nfs/dbraw/zinc/37/63/16/428376316.db2.gz DYBSMIJLLYDDIP-HOTGVXAUSA-N 2 1 324.440 2.541 20 0 DFADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357066980 428377795 /nfs/dbraw/zinc/37/77/95/428377795.db2.gz DHORGJWOXQNHEB-NVXWUHKLSA-N 2 1 309.413 2.915 20 0 DFADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357066980 428377800 /nfs/dbraw/zinc/37/78/00/428377800.db2.gz DHORGJWOXQNHEB-NVXWUHKLSA-N 2 1 309.413 2.915 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000414693869 428378100 /nfs/dbraw/zinc/37/81/00/428378100.db2.gz MMJGRZXZBAABAW-JZXOWHBKSA-N 2 1 315.461 2.502 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000414694480 428378891 /nfs/dbraw/zinc/37/88/91/428378891.db2.gz NXFFHZDEKAROGJ-XNJGSVPQSA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000414694480 428378896 /nfs/dbraw/zinc/37/88/96/428378896.db2.gz NXFFHZDEKAROGJ-XNJGSVPQSA-N 2 1 310.388 2.726 20 0 DFADMP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414704412 428381042 /nfs/dbraw/zinc/38/10/42/428381042.db2.gz NFRPODQLQQKTFQ-QRQLOZEOSA-N 2 1 304.478 2.894 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1cccc(Br)c1 ZINC000357089985 428381864 /nfs/dbraw/zinc/38/18/64/428381864.db2.gz QKYOARDIDHRMSK-CQSZACIVSA-N 2 1 313.239 2.561 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@H](COC)Cc1ccccc1 ZINC000414708754 428382042 /nfs/dbraw/zinc/38/20/42/428382042.db2.gz PHBHLDCRFNHCKB-UHOSZYNNSA-N 2 1 304.478 2.954 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)CC[NH2+]1 ZINC000414715188 428383806 /nfs/dbraw/zinc/38/38/06/428383806.db2.gz WDXIMUJCAPGLOH-QRQLOZEOSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)CC[NH2+]1 ZINC000414714980 428384076 /nfs/dbraw/zinc/38/40/76/428384076.db2.gz WDXIMUJCAPGLOH-BHIYHBOVSA-N 2 1 302.462 2.708 20 0 DFADMP C[N@@H+](Cc1ccccc1NC(=O)NCC[NH3+])C1CCCCC1 ZINC000414713905 428384280 /nfs/dbraw/zinc/38/42/80/428384280.db2.gz PGRHDUXJTQNDEE-UHFFFAOYSA-N 2 1 304.438 2.531 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414714291 428384466 /nfs/dbraw/zinc/38/44/66/428384466.db2.gz UZHIPTMFCPEHBN-HZPDHXFCSA-N 2 1 310.445 2.619 20 0 DFADMP Cc1c[nH]nc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733503 428387740 /nfs/dbraw/zinc/38/77/40/428387740.db2.gz JKVONYJLRMKHGL-IEBWSBKVSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1c[nH]nc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733503 428387747 /nfs/dbraw/zinc/38/77/47/428387747.db2.gz JKVONYJLRMKHGL-IEBWSBKVSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1cn[nH]c1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733503 428387752 /nfs/dbraw/zinc/38/77/52/428387752.db2.gz JKVONYJLRMKHGL-IEBWSBKVSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1cn[nH]c1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733503 428387759 /nfs/dbraw/zinc/38/77/59/428387759.db2.gz JKVONYJLRMKHGL-IEBWSBKVSA-N 2 1 312.461 2.890 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414854638 428435656 /nfs/dbraw/zinc/43/56/56/428435656.db2.gz ZRIMPOWNSFNRHJ-PBHICJAKSA-N 2 1 303.450 2.869 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCCSCC2)CC1 ZINC000357212705 428437200 /nfs/dbraw/zinc/43/72/00/428437200.db2.gz KNCBXSXQYSPLPI-UHFFFAOYSA-N 2 1 319.518 2.767 20 0 DFADMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2)n1 ZINC000347078812 428437880 /nfs/dbraw/zinc/43/78/80/428437880.db2.gz WNQDIIGHFMTLQJ-JWTNVVGKSA-N 2 1 310.445 2.802 20 0 DFADMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2ccccc2)n1 ZINC000347078812 428437886 /nfs/dbraw/zinc/43/78/86/428437886.db2.gz WNQDIIGHFMTLQJ-JWTNVVGKSA-N 2 1 310.445 2.802 20 0 DFADMP COc1ccccc1/C=C/C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414869064 428438169 /nfs/dbraw/zinc/43/81/69/428438169.db2.gz BGWOHWIRPKCQSP-WEVVVXLNSA-N 2 1 311.429 2.873 20 0 DFADMP C[C@H](C[NH3+])C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414870285 428438996 /nfs/dbraw/zinc/43/89/96/428438996.db2.gz CAANFWQJEJORPE-SNVBAGLBSA-N 2 1 323.238 2.524 20 0 DFADMP COc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OCC(F)(F)F ZINC000414875703 428442168 /nfs/dbraw/zinc/44/21/68/428442168.db2.gz KIMQTAJCAIWQIF-UHFFFAOYSA-N 2 1 318.339 2.607 20 0 DFADMP CCCCOc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347096136 428443099 /nfs/dbraw/zinc/44/30/99/428443099.db2.gz IYECGPXDGQWTDL-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CCCCOc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347096136 428443105 /nfs/dbraw/zinc/44/31/05/428443105.db2.gz IYECGPXDGQWTDL-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357232344 428445198 /nfs/dbraw/zinc/44/51/98/428445198.db2.gz NTBKFALWPOROAK-SZMVWBNQSA-N 2 1 322.518 2.601 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342845833 428470347 /nfs/dbraw/zinc/47/03/47/428470347.db2.gz XUQMOTSOFTZQJF-QZTJIDSGSA-N 2 1 312.417 2.719 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCC(F)(F)CC1 ZINC000353244362 428448125 /nfs/dbraw/zinc/44/81/25/428448125.db2.gz QEEJCMJVBROZKJ-OAHLLOKOSA-N 2 1 317.468 2.818 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414901881 428450890 /nfs/dbraw/zinc/45/08/90/428450890.db2.gz GPXXQKRBENXSQL-SFHVURJKSA-N 2 1 312.461 2.556 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000414910479 428454340 /nfs/dbraw/zinc/45/43/40/428454340.db2.gz CWVVMCQWEUXFCP-MJGOQNOKSA-N 2 1 301.478 2.553 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414910479 428454346 /nfs/dbraw/zinc/45/43/46/428454346.db2.gz CWVVMCQWEUXFCP-MJGOQNOKSA-N 3 1 301.478 2.553 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000386768834 428459487 /nfs/dbraw/zinc/45/94/87/428459487.db2.gz HHJVVQSPBHAAPC-WMZOPIPTSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000414937068 428461960 /nfs/dbraw/zinc/46/19/60/428461960.db2.gz CEPCJWYYIACXGJ-CRAIPNDOSA-N 2 1 311.429 2.748 20 0 DFADMP CC[C@H](N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1nnc2n1CCCCC2 ZINC000360850137 428462098 /nfs/dbraw/zinc/46/20/98/428462098.db2.gz BCNFEXHTAWTZIF-ILXRZTDVSA-N 2 1 305.470 2.528 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414932075 428463471 /nfs/dbraw/zinc/46/34/71/428463471.db2.gz QQVKZTXMHMGDQZ-KBXCAEBGSA-N 2 1 321.896 2.892 20 0 DFADMP FC(F)(F)Oc1cccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000372564931 428465181 /nfs/dbraw/zinc/46/51/81/428465181.db2.gz QFCZRXQCBXPWCO-GFCCVEGCSA-N 2 1 311.307 2.886 20 0 DFADMP COC[C@]1(C[NH2+][C@@H](C)Cc2ccccc2SC)CCC[NH2+]1 ZINC000414944668 428465272 /nfs/dbraw/zinc/46/52/72/428465272.db2.gz OIJJWAWDEMGQMG-WMLDXEAASA-N 2 1 308.491 2.698 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414953240 428468231 /nfs/dbraw/zinc/46/82/31/428468231.db2.gz JJVYURCSTUFQGD-TVQRCGJNSA-N 2 1 301.203 2.676 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347033690 428415771 /nfs/dbraw/zinc/41/57/71/428415771.db2.gz FFOYULVZJPJCHS-XHSDSOJGSA-N 2 1 311.514 2.637 20 0 DFADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414799851 428416205 /nfs/dbraw/zinc/41/62/05/428416205.db2.gz DZVKKRICHIKMKR-XPTSAGLGSA-N 2 1 315.230 2.846 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414799852 428416943 /nfs/dbraw/zinc/41/69/43/428416943.db2.gz DZVKKRICHIKMKR-YMTOWFKASA-N 2 1 315.230 2.846 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414797363 428417273 /nfs/dbraw/zinc/41/72/73/428417273.db2.gz IOGOOVZVCRNRTM-GUYCJALGSA-N 2 1 303.450 2.854 20 0 DFADMP CCCC[C@@H](C[NH3+])NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414806341 428418523 /nfs/dbraw/zinc/41/85/23/428418523.db2.gz BMBZUHTVEGMDNO-ZDUSSCGKSA-N 2 1 310.511 2.517 20 0 DFADMP COc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)F ZINC000414806339 428418740 /nfs/dbraw/zinc/41/87/40/428418740.db2.gz BLWMURFSMQSLEO-FUNVUKJBSA-N 2 1 312.360 2.669 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000414806420 428418798 /nfs/dbraw/zinc/41/87/98/428418798.db2.gz QGKJDSLHQHUHPK-TZMCWYRMSA-N 2 1 302.447 2.812 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@@H]1[NH3+] ZINC000347043421 428419763 /nfs/dbraw/zinc/41/97/63/428419763.db2.gz MQYJLZKLULBQGT-KXBFYZLASA-N 2 1 311.429 2.830 20 0 DFADMP Cc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000378537334 428421958 /nfs/dbraw/zinc/42/19/58/428421958.db2.gz JMHWPFRLUSFQHG-UHFFFAOYSA-N 2 1 300.406 2.726 20 0 DFADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(C)C ZINC000414813853 428422160 /nfs/dbraw/zinc/42/21/60/428422160.db2.gz MZTINYUOZWKCMY-XYPWUTKMSA-N 2 1 304.434 2.855 20 0 DFADMP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccccc2Cl)CC1)C1CC1 ZINC000414813349 428423005 /nfs/dbraw/zinc/42/30/05/428423005.db2.gz YFEJZPFCZBAMGT-QGZVFWFLSA-N 2 1 307.869 2.631 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1[NH3+] ZINC000347044308 428423385 /nfs/dbraw/zinc/42/33/85/428423385.db2.gz MXROZGWVQPBMID-DGCLKSJQSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1[NH3+] ZINC000347044308 428423388 /nfs/dbraw/zinc/42/33/88/428423388.db2.gz MXROZGWVQPBMID-DGCLKSJQSA-N 2 1 302.340 2.797 20 0 DFADMP FC(F)(F)CCN1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000378553124 428424408 /nfs/dbraw/zinc/42/44/08/428424408.db2.gz SDEBEJOXBNFSRY-CABCVRRESA-N 2 1 319.415 2.620 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000378553124 428424413 /nfs/dbraw/zinc/42/44/13/428424413.db2.gz SDEBEJOXBNFSRY-CABCVRRESA-N 2 1 319.415 2.620 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000378553124 428424423 /nfs/dbraw/zinc/42/44/23/428424423.db2.gz SDEBEJOXBNFSRY-CABCVRRESA-N 2 1 319.415 2.620 20 0 DFADMP C[N@H+](Cc1cscn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378544183 428424804 /nfs/dbraw/zinc/42/48/04/428424804.db2.gz YNRZBZLTIBHRCC-UHFFFAOYSA-N 2 1 302.447 2.887 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000414826660 428425327 /nfs/dbraw/zinc/42/53/27/428425327.db2.gz FYVRUFKTNYCPHQ-NSISKUIASA-N 2 1 309.457 2.797 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1C ZINC000414832921 428426436 /nfs/dbraw/zinc/42/64/36/428426436.db2.gz FGCUEVNSCYGYAA-GDBMZVCRSA-N 2 1 305.466 2.984 20 0 DFADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360758266 428427383 /nfs/dbraw/zinc/42/73/83/428427383.db2.gz GCKRYMIMYZFUFM-BWPNAZKDSA-N 2 1 313.489 2.821 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c1C ZINC000414832924 428427802 /nfs/dbraw/zinc/42/78/02/428427802.db2.gz FGCUEVNSCYGYAA-HOCLYGCPSA-N 2 1 305.466 2.984 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000347056405 428430370 /nfs/dbraw/zinc/43/03/70/428430370.db2.gz VBMXFZUCSJIVKN-BEFAXECRSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH2+]CC1(CO)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372336085 428430492 /nfs/dbraw/zinc/43/04/92/428430492.db2.gz CXMNZHRPRWOKGO-AEFFLSMTSA-N 2 1 302.462 2.649 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])CC)ccc1OCC(F)(F)F ZINC000414980153 428480008 /nfs/dbraw/zinc/48/00/08/428480008.db2.gz PDOUVNRLSMCFNY-LBPRGKRZSA-N 2 1 320.355 2.853 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000393922057 428486349 /nfs/dbraw/zinc/48/63/49/428486349.db2.gz AYJNZRQTCFCPLN-HUUCEWRRSA-N 2 1 313.486 2.611 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCc2ccsc2)CC1 ZINC000360909169 428486558 /nfs/dbraw/zinc/48/65/58/428486558.db2.gz DBXWIADXJXEWRM-HNNXBMFYSA-N 2 1 310.507 2.705 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1Cl ZINC000415011890 428487408 /nfs/dbraw/zinc/48/74/08/428487408.db2.gz WJLKERVTJIPSBO-NSHDSACASA-N 2 1 304.768 2.683 20 0 DFADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415012774 428488240 /nfs/dbraw/zinc/48/82/40/428488240.db2.gz JYPRCPIDJZBZRA-GHMZBOCLSA-N 2 1 312.339 2.716 20 0 DFADMP CCc1nc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000342931965 428489582 /nfs/dbraw/zinc/48/95/82/428489582.db2.gz LNZYNFZHHMDBGQ-GJZGRUSLSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1nc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000342931965 428489588 /nfs/dbraw/zinc/48/95/88/428489588.db2.gz LNZYNFZHHMDBGQ-GJZGRUSLSA-N 2 1 302.466 3.412 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@H]1CCOC1 ZINC000360912904 428489807 /nfs/dbraw/zinc/48/98/07/428489807.db2.gz NEYPUARHPPJPOA-QRQLOZEOSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@H]1CCOC1 ZINC000360912904 428489810 /nfs/dbraw/zinc/48/98/10/428489810.db2.gz NEYPUARHPPJPOA-QRQLOZEOSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)C[C@H]1CCOC1 ZINC000360912904 428489814 /nfs/dbraw/zinc/48/98/14/428489814.db2.gz NEYPUARHPPJPOA-QRQLOZEOSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@H]1CCOC1 ZINC000360912904 428489818 /nfs/dbraw/zinc/48/98/18/428489818.db2.gz NEYPUARHPPJPOA-QRQLOZEOSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000342922425 428489957 /nfs/dbraw/zinc/48/99/57/428489957.db2.gz WHDFEYCMHUOQJQ-ZIFCJYIRSA-N 2 1 324.509 2.624 20 0 DFADMP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1OCC(C)C ZINC000347200476 428492660 /nfs/dbraw/zinc/49/26/60/428492660.db2.gz JQDDXYBZEIOGQH-UHFFFAOYSA-N 2 1 306.450 2.914 20 0 DFADMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OCC(C)C ZINC000347200476 428492665 /nfs/dbraw/zinc/49/26/65/428492665.db2.gz JQDDXYBZEIOGQH-UHFFFAOYSA-N 2 1 306.450 2.914 20 0 DFADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000415033865 428493200 /nfs/dbraw/zinc/49/32/00/428493200.db2.gz CELHUKZMUSIZHV-RHSMWYFYSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000415033865 428493206 /nfs/dbraw/zinc/49/32/06/428493206.db2.gz CELHUKZMUSIZHV-RHSMWYFYSA-N 2 1 304.434 2.668 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000347208549 428493964 /nfs/dbraw/zinc/49/39/64/428493964.db2.gz NNZYBPKULMUCMY-UHFFFAOYSA-N 2 1 306.841 2.809 20 0 DFADMP C[C@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC1CCOCC1 ZINC000415038217 428496154 /nfs/dbraw/zinc/49/61/54/428496154.db2.gz HTTKOPNLMGGBDK-ZYSHUDEJSA-N 2 1 302.462 2.784 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)cn1 ZINC000415041421 428498602 /nfs/dbraw/zinc/49/86/02/428498602.db2.gz LKIWTENLLLCINH-PBHICJAKSA-N 2 1 316.474 2.898 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000415050643 428500251 /nfs/dbraw/zinc/50/02/51/428500251.db2.gz IXFMSGCMKDWZMP-IRXDYDNUSA-N 2 1 306.450 2.707 20 0 DFADMP c1cnc2ccc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)cc2c1 ZINC000415048900 428500581 /nfs/dbraw/zinc/50/05/81/428500581.db2.gz GNHLHJBRMOVYLH-UHFFFAOYSA-N 2 1 324.472 2.541 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1 ZINC000415051562 428501313 /nfs/dbraw/zinc/50/13/13/428501313.db2.gz GGAFXMGHYDXCCQ-JTDSTZFVSA-N 2 1 317.477 2.937 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000415048723 428501492 /nfs/dbraw/zinc/50/14/92/428501492.db2.gz XGLHXPMNIYRZAB-SWBPCFCJSA-N 3 1 313.489 2.614 20 0 DFADMP C1CC1[C@@H]1CCC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000415052463 428501935 /nfs/dbraw/zinc/50/19/35/428501935.db2.gz LIBITKJEHMLUCJ-RRENTHDGSA-N 2 1 305.510 2.761 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+][C@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000396622651 428502253 /nfs/dbraw/zinc/50/22/53/428502253.db2.gz VGNBOPACNOYJAK-JFRXWTBNSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H](C)c1ccccc1 ZINC000415055807 428503241 /nfs/dbraw/zinc/50/32/41/428503241.db2.gz OUZQSLARCOYEKK-WSCVDHEUSA-N 2 1 315.505 2.985 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415054754 428503353 /nfs/dbraw/zinc/50/33/53/428503353.db2.gz QJWIMTRMGWGEAK-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056149 428504643 /nfs/dbraw/zinc/50/46/43/428504643.db2.gz ROGQKYCLRYDQKH-WMLDXEAASA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056149 428504646 /nfs/dbraw/zinc/50/46/46/428504646.db2.gz ROGQKYCLRYDQKH-WMLDXEAASA-N 2 1 304.434 2.668 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000415064720 428505546 /nfs/dbraw/zinc/50/55/46/428505546.db2.gz LHENDIDPXOFDLG-MNEFBYGVSA-N 2 1 301.478 2.929 20 0 DFADMP Cc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)ccc1Cl ZINC000415061021 428506592 /nfs/dbraw/zinc/50/65/92/428506592.db2.gz XQSWKKLDKWHASC-UHFFFAOYSA-N 2 1 321.896 2.954 20 0 DFADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(OC)c1OC ZINC000397251616 428507834 /nfs/dbraw/zinc/50/78/34/428507834.db2.gz DRMKEVGKNZBCQX-GUTXKFCHSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc(OC)c1OC ZINC000397251616 428507838 /nfs/dbraw/zinc/50/78/38/428507838.db2.gz DRMKEVGKNZBCQX-GUTXKFCHSA-N 2 1 322.449 2.518 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397396610 428508395 /nfs/dbraw/zinc/50/83/95/428508395.db2.gz PMMIOVYZRPFPHA-JYJNAYRXSA-N 2 1 306.450 2.769 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000397433056 428509668 /nfs/dbraw/zinc/50/96/68/428509668.db2.gz ZUIZOAYWOFHJJW-UPJWGTAASA-N 2 1 306.841 2.793 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000397433056 428509671 /nfs/dbraw/zinc/50/96/71/428509671.db2.gz ZUIZOAYWOFHJJW-UPJWGTAASA-N 2 1 306.841 2.793 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415069223 428510900 /nfs/dbraw/zinc/51/09/00/428510900.db2.gz OLWRFVYYOYXGDJ-UHFFFAOYSA-N 2 1 312.461 2.780 20 0 DFADMP C[N@@H+](CCCCc1ccc(Cl)c(Cl)c1)C[C@H](O)C[NH3+] ZINC000415069611 428511043 /nfs/dbraw/zinc/51/10/43/428511043.db2.gz PGVLTECCNMNXMY-GFCCVEGCSA-N 2 1 305.249 2.568 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C[C@H](O)C[NH3+] ZINC000415071940 428511098 /nfs/dbraw/zinc/51/10/98/428511098.db2.gz UWDODGPNUDITBL-OAHLLOKOSA-N 2 1 322.355 2.509 20 0 DFADMP C[N@H+](Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C[C@H](O)C[NH3+] ZINC000415071940 428511103 /nfs/dbraw/zinc/51/11/03/428511103.db2.gz UWDODGPNUDITBL-OAHLLOKOSA-N 2 1 322.355 2.509 20 0 DFADMP Cc1cc[nH+]c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397575275 428511575 /nfs/dbraw/zinc/51/15/75/428511575.db2.gz BUXJODAINLXBAA-UHFFFAOYSA-N 2 1 311.429 2.829 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000398004325 428515768 /nfs/dbraw/zinc/51/57/68/428515768.db2.gz AJFYXBDPCZNKDT-LULLPPNCSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000398004325 428515774 /nfs/dbraw/zinc/51/57/74/428515774.db2.gz AJFYXBDPCZNKDT-LULLPPNCSA-N 2 1 301.478 2.757 20 0 DFADMP OCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1F ZINC000415084612 428516185 /nfs/dbraw/zinc/51/61/85/428516185.db2.gz GYNANQHGTUPVPB-IEBWSBKVSA-N 2 1 314.404 2.901 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000398054381 428517748 /nfs/dbraw/zinc/51/77/48/428517748.db2.gz YYIRMXPVIHUCGA-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000398054381 428517752 /nfs/dbraw/zinc/51/77/52/428517752.db2.gz YYIRMXPVIHUCGA-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCO[C@@H]1CCCCO1)CC2)C1CC1 ZINC000373118331 428518992 /nfs/dbraw/zinc/51/89/92/428518992.db2.gz QFGURDSYMZFUPI-SJLPKXTDSA-N 2 1 322.493 2.726 20 0 DFADMP Cc1cc(C[N@@H+]2CCCO[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000415104624 428520887 /nfs/dbraw/zinc/52/08/87/428520887.db2.gz HGBBCCHSHGLPHG-ZDUSSCGKSA-N 2 1 302.340 2.563 20 0 DFADMP Cc1cc(C[N@H+]2CCCO[C@@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000415104624 428520890 /nfs/dbraw/zinc/52/08/90/428520890.db2.gz HGBBCCHSHGLPHG-ZDUSSCGKSA-N 2 1 302.340 2.563 20 0 DFADMP CC(C)CCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415112805 428523792 /nfs/dbraw/zinc/52/37/92/428523792.db2.gz QUSASJZBMDXOKV-GOSISDBHSA-N 2 1 306.450 2.661 20 0 DFADMP CC(C)CCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415112805 428523798 /nfs/dbraw/zinc/52/37/98/428523798.db2.gz QUSASJZBMDXOKV-GOSISDBHSA-N 2 1 306.450 2.661 20 0 DFADMP CCCCCOc1ccc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415113982 428525052 /nfs/dbraw/zinc/52/50/52/428525052.db2.gz SHZZYYIUPNXMHX-GOSISDBHSA-N 2 1 306.450 2.805 20 0 DFADMP CCCCCOc1ccc(C[N@H+]2CCCO[C@H](C[NH3+])C2)cc1 ZINC000415113982 428525059 /nfs/dbraw/zinc/52/50/59/428525059.db2.gz SHZZYYIUPNXMHX-GOSISDBHSA-N 2 1 306.450 2.805 20 0 DFADMP C[C@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000415131059 428532015 /nfs/dbraw/zinc/53/20/15/428532015.db2.gz RUQSZKMHBRSRRP-LSDHHAIUSA-N 2 1 305.441 2.843 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000415131059 428532018 /nfs/dbraw/zinc/53/20/18/428532018.db2.gz RUQSZKMHBRSRRP-LSDHHAIUSA-N 2 1 305.441 2.843 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000361009852 428528963 /nfs/dbraw/zinc/52/89/63/428528963.db2.gz VSOVVIFSSUQLMM-OAHLLOKOSA-N 2 1 317.260 2.582 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000361009852 428528970 /nfs/dbraw/zinc/52/89/70/428528970.db2.gz VSOVVIFSSUQLMM-OAHLLOKOSA-N 2 1 317.260 2.582 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000361009851 428529387 /nfs/dbraw/zinc/52/93/87/428529387.db2.gz VSOVVIFSSUQLMM-HNNXBMFYSA-N 2 1 317.260 2.582 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]CCCc2c(Cl)cccc2Cl)C1 ZINC000361009851 428529392 /nfs/dbraw/zinc/52/93/92/428529392.db2.gz VSOVVIFSSUQLMM-HNNXBMFYSA-N 2 1 317.260 2.582 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415125454 428530301 /nfs/dbraw/zinc/53/03/01/428530301.db2.gz LFNKHOOOGBBMTK-ZFWWWQNUSA-N 2 1 322.449 2.519 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415125454 428530307 /nfs/dbraw/zinc/53/03/07/428530307.db2.gz LFNKHOOOGBBMTK-ZFWWWQNUSA-N 2 1 322.449 2.519 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c1C ZINC000414956504 428472147 /nfs/dbraw/zinc/47/21/47/428472147.db2.gz PTBXGZRPMUSABN-JLJPHGGASA-N 2 1 303.450 2.751 20 0 DFADMP C[N@H+](C[C@@H](O)c1cccc(Cl)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372595147 428472115 /nfs/dbraw/zinc/47/21/15/428472115.db2.gz YDAAODHRLSXCBN-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372595147 428472116 /nfs/dbraw/zinc/47/21/16/428472116.db2.gz YDAAODHRLSXCBN-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)C1 ZINC000343845109 428580363 /nfs/dbraw/zinc/58/03/63/428580363.db2.gz AIFHHHIXGLXYAB-XYJFISCASA-N 2 1 321.534 2.890 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000343845109 428580368 /nfs/dbraw/zinc/58/03/68/428580368.db2.gz AIFHHHIXGLXYAB-XYJFISCASA-N 2 1 321.534 2.890 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000343845109 428580372 /nfs/dbraw/zinc/58/03/72/428580372.db2.gz AIFHHHIXGLXYAB-XYJFISCASA-N 2 1 321.534 2.890 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353535025 428581732 /nfs/dbraw/zinc/58/17/32/428581732.db2.gz VAYZPCGCCUZFGS-ZSYWTGECSA-N 2 1 302.462 2.615 20 0 DFADMP CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197875 428586307 /nfs/dbraw/zinc/58/63/07/428586307.db2.gz ONAVALFEURKSSZ-CVEARBPZSA-N 2 1 323.525 2.874 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c(c2)C[NH2+]C3)c1 ZINC000347492397 428590335 /nfs/dbraw/zinc/59/03/35/428590335.db2.gz CSGBQNHTFOAEES-UHFFFAOYSA-N 2 1 323.440 2.672 20 0 DFADMP CC(C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cn1 ZINC000353552086 428590430 /nfs/dbraw/zinc/59/04/30/428590430.db2.gz MVNVMVRAORIHHB-SFHVURJKSA-N 2 1 322.472 2.535 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000358245913 428591559 /nfs/dbraw/zinc/59/15/59/428591559.db2.gz IYGHZJJDJQHLMJ-HLLBOEOZSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000358245913 428591561 /nfs/dbraw/zinc/59/15/61/428591561.db2.gz IYGHZJJDJQHLMJ-HLLBOEOZSA-N 2 1 305.441 2.724 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000358256912 428592157 /nfs/dbraw/zinc/59/21/57/428592157.db2.gz RNSSYLQJRPZGQW-CRAIPNDOSA-N 2 1 316.470 2.935 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000358256912 428592163 /nfs/dbraw/zinc/59/21/63/428592163.db2.gz RNSSYLQJRPZGQW-CRAIPNDOSA-N 2 1 316.470 2.935 20 0 DFADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361755951 428593372 /nfs/dbraw/zinc/59/33/72/428593372.db2.gz SKGLPIVQOKXOMS-ZHALLVOQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CCN[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000361755951 428593377 /nfs/dbraw/zinc/59/33/77/428593377.db2.gz SKGLPIVQOKXOMS-ZHALLVOQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CCN[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000361755951 428593381 /nfs/dbraw/zinc/59/33/81/428593381.db2.gz SKGLPIVQOKXOMS-ZHALLVOQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1C[NH3+] ZINC000415128902 428533007 /nfs/dbraw/zinc/53/30/07/428533007.db2.gz OQUHVEVEYUDIKL-ZBFHGGJFSA-N 2 1 312.417 2.686 20 0 DFADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353433969 428533502 /nfs/dbraw/zinc/53/35/02/428533502.db2.gz HSWSVXAHXCRXMS-BRWVUGGUSA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000415136673 428534052 /nfs/dbraw/zinc/53/40/52/428534052.db2.gz XMRBZTMMJCIIKD-VXGBXAGGSA-N 2 1 320.387 2.772 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000415136673 428534056 /nfs/dbraw/zinc/53/40/56/428534056.db2.gz XMRBZTMMJCIIKD-VXGBXAGGSA-N 2 1 320.387 2.772 20 0 DFADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353434987 428534649 /nfs/dbraw/zinc/53/46/49/428534649.db2.gz KRRYVAAVSDXTLZ-OTWHNJEPSA-N 3 1 301.478 2.711 20 0 DFADMP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@@H]2CCC[C@@H]21 ZINC000353434987 428534653 /nfs/dbraw/zinc/53/46/53/428534653.db2.gz KRRYVAAVSDXTLZ-OTWHNJEPSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353434987 428534660 /nfs/dbraw/zinc/53/46/60/428534660.db2.gz KRRYVAAVSDXTLZ-OTWHNJEPSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353434987 428534664 /nfs/dbraw/zinc/53/46/64/428534664.db2.gz KRRYVAAVSDXTLZ-OTWHNJEPSA-N 2 1 301.478 2.711 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136695 428535390 /nfs/dbraw/zinc/53/53/90/428535390.db2.gz XOKDXIMLMLJIDM-WBVHZDCISA-N 2 1 312.461 2.812 20 0 DFADMP CCN(CC)C(=O)[C@@H]1CCC[N@H+]1CCCc1ccc(C)nc1 ZINC000353448457 428540747 /nfs/dbraw/zinc/54/07/47/428540747.db2.gz MTHRLOVKJBYFNL-KRWDZBQOSA-N 2 1 303.450 2.655 20 0 DFADMP CCc1nc(NC[C@H]([NH2+][C@@H](C)CC)c2ccco2)cc(C)[nH+]1 ZINC000343244601 428541198 /nfs/dbraw/zinc/54/11/98/428541198.db2.gz ATBOJFYLHPETOV-JSGCOSHPSA-N 2 1 302.422 3.482 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000400323545 428542945 /nfs/dbraw/zinc/54/29/45/428542945.db2.gz APYVSWHYAPMFDO-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000353452039 428543839 /nfs/dbraw/zinc/54/38/39/428543839.db2.gz WAMAHOIKLOUCNR-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000353452039 428543844 /nfs/dbraw/zinc/54/38/44/428543844.db2.gz WAMAHOIKLOUCNR-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000353452039 428543846 /nfs/dbraw/zinc/54/38/46/428543846.db2.gz WAMAHOIKLOUCNR-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP C[N@@H+](CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456685 428544728 /nfs/dbraw/zinc/54/47/28/428544728.db2.gz WFTAPSKLBFCPSO-VAMGGRTRSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456685 428544731 /nfs/dbraw/zinc/54/47/31/428544731.db2.gz WFTAPSKLBFCPSO-VAMGGRTRSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456685 428544736 /nfs/dbraw/zinc/54/47/36/428544736.db2.gz WFTAPSKLBFCPSO-VAMGGRTRSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400442864 428545386 /nfs/dbraw/zinc/54/53/86/428545386.db2.gz ORTZYHYOGOKLQT-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400442864 428545391 /nfs/dbraw/zinc/54/53/91/428545391.db2.gz ORTZYHYOGOKLQT-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400734277 428548659 /nfs/dbraw/zinc/54/86/59/428548659.db2.gz RIJBNGPKBJETCR-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400616974 428548769 /nfs/dbraw/zinc/54/87/69/428548769.db2.gz JHMRQIXWUQUNIN-KAKFPZCNSA-N 2 1 300.446 2.523 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@@H]2CCOC2)cc1 ZINC000400616974 428548774 /nfs/dbraw/zinc/54/87/74/428548774.db2.gz JHMRQIXWUQUNIN-KAKFPZCNSA-N 2 1 300.446 2.523 20 0 DFADMP C/C(=C/c1ccccc1)CN1CCC([N@@H+](C)CCCO)CC1 ZINC000353472226 428553215 /nfs/dbraw/zinc/55/32/15/428553215.db2.gz NSNZUILOIGANAI-ICFOKQHNSA-N 2 1 302.462 2.869 20 0 DFADMP C[C@H](c1cnccn1)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373352337 428554956 /nfs/dbraw/zinc/55/49/56/428554956.db2.gz DVHHIXIMXIPERB-CABCVRRESA-N 2 1 300.450 2.734 20 0 DFADMP C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000353494694 428564122 /nfs/dbraw/zinc/56/41/22/428564122.db2.gz QGONJPNSAKLSKH-RCJHGTSTSA-N 2 1 317.477 2.667 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000373389174 428565075 /nfs/dbraw/zinc/56/50/75/428565075.db2.gz RAXBBWWJHJOYCY-RDJZCZTQSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000373389174 428565082 /nfs/dbraw/zinc/56/50/82/428565082.db2.gz RAXBBWWJHJOYCY-RDJZCZTQSA-N 2 1 314.408 2.728 20 0 DFADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404333152 428565204 /nfs/dbraw/zinc/56/52/04/428565204.db2.gz ZVVSJEOGYMZEEX-NUJGCVRESA-N 2 1 317.477 2.655 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000353501411 428568474 /nfs/dbraw/zinc/56/84/74/428568474.db2.gz ZARGMXVMXJCLLK-QGZVFWFLSA-N 2 1 318.509 2.756 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000353501360 428568497 /nfs/dbraw/zinc/56/84/97/428568497.db2.gz MOQYKKQJGKLAGK-AEFFLSMTSA-N 2 1 319.493 2.790 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ncnn1C ZINC000361456618 428571270 /nfs/dbraw/zinc/57/12/70/428571270.db2.gz LWUSGJAWWUOMBV-YQQAZPJKSA-N 2 1 313.449 2.519 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000361523940 428572856 /nfs/dbraw/zinc/57/28/56/428572856.db2.gz HOZNROKHSZSVMC-QGZVFWFLSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000361523940 428572864 /nfs/dbraw/zinc/57/28/64/428572864.db2.gz HOZNROKHSZSVMC-QGZVFWFLSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000361523940 428572873 /nfs/dbraw/zinc/57/28/73/428572873.db2.gz HOZNROKHSZSVMC-QGZVFWFLSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)s1 ZINC000358308816 428594669 /nfs/dbraw/zinc/59/46/69/428594669.db2.gz ZMJRASKQQPKNCC-RCBQFDQVSA-N 2 1 323.506 2.788 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)[C@H]1CC[NH3+] ZINC000405216415 428574901 /nfs/dbraw/zinc/57/49/01/428574901.db2.gz KGRJPTOSJOTTGW-APWZRJJASA-N 2 1 312.461 2.881 20 0 DFADMP Cc1sccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000353520665 428574913 /nfs/dbraw/zinc/57/49/13/428574913.db2.gz OMESPXUSQKFWMA-JWTNVVGKSA-N 2 1 319.518 2.799 20 0 DFADMP Cc1sccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000353520665 428574917 /nfs/dbraw/zinc/57/49/17/428574917.db2.gz OMESPXUSQKFWMA-JWTNVVGKSA-N 2 1 319.518 2.799 20 0 DFADMP Cc1oncc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373428558 428575485 /nfs/dbraw/zinc/57/54/85/428575485.db2.gz YQHWRLBLPZBROM-UHFFFAOYSA-N 2 1 300.406 2.726 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000358032948 428576549 /nfs/dbraw/zinc/57/65/49/428576549.db2.gz DSGBYCPFGMZWMV-QLFBSQMISA-N 2 1 320.481 2.633 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2c(OC)ccc3ccccc32)C[C@H]1C[NH3+] ZINC000405391326 428577170 /nfs/dbraw/zinc/57/71/70/428577170.db2.gz RNSJWAIIFVYUSE-DNVCBOLYSA-N 2 1 314.429 2.644 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000353523407 428577415 /nfs/dbraw/zinc/57/74/15/428577415.db2.gz TZXCHPSFBKRJCX-UYSNPLJNSA-N 2 1 312.404 2.645 20 0 DFADMP CC[N@@H+]1C[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000343845105 428579349 /nfs/dbraw/zinc/57/93/49/428579349.db2.gz AIFHHHIXGLXYAB-JZXOWHBKSA-N 2 1 321.534 2.890 20 0 DFADMP CC[NH+]1C[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000343845105 428579352 /nfs/dbraw/zinc/57/93/52/428579352.db2.gz AIFHHHIXGLXYAB-JZXOWHBKSA-N 2 1 321.534 2.890 20 0 DFADMP CC[NH+]1C[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)[C@@H](C)C1 ZINC000343845105 428579356 /nfs/dbraw/zinc/57/93/56/428579356.db2.gz AIFHHHIXGLXYAB-JZXOWHBKSA-N 2 1 321.534 2.890 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353535020 428579969 /nfs/dbraw/zinc/57/99/69/428579969.db2.gz VAYZPCGCCUZFGS-RDGPPVDQSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000373517281 428596393 /nfs/dbraw/zinc/59/63/93/428596393.db2.gz SVXSWBVGOSUBDV-KSZLIROESA-N 2 1 323.525 2.641 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000361838333 428598028 /nfs/dbraw/zinc/59/80/28/428598028.db2.gz SIBDEWJIUHUHBU-WCXIOVBPSA-N 2 1 309.498 2.628 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000358408898 428599566 /nfs/dbraw/zinc/59/95/66/428599566.db2.gz VMHPNFIAZDLSCC-CLCXKQKWSA-N 2 1 318.461 2.640 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000373564303 428606919 /nfs/dbraw/zinc/60/69/19/428606919.db2.gz XZFPVLIBLSPEES-BFYDXBDKSA-N 2 1 316.445 2.908 20 0 DFADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000358569650 428608969 /nfs/dbraw/zinc/60/89/69/428608969.db2.gz WRSPUWDKGQDEFJ-RYQLBKOJSA-N 2 1 317.477 2.524 20 0 DFADMP COc1ccc(CN(C)C[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000347581781 428612355 /nfs/dbraw/zinc/61/23/55/428612355.db2.gz HHHAEPLOFPVFJH-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1OC ZINC000347581781 428612358 /nfs/dbraw/zinc/61/23/58/428612358.db2.gz HHHAEPLOFPVFJH-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(C)c1OC ZINC000347581781 428612361 /nfs/dbraw/zinc/61/23/61/428612361.db2.gz HHHAEPLOFPVFJH-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000415901520 428619330 /nfs/dbraw/zinc/61/93/30/428619330.db2.gz BWESMNFBXWJXKX-MRXNPFEDSA-N 2 1 318.465 2.602 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000373614394 428620044 /nfs/dbraw/zinc/62/00/44/428620044.db2.gz BMEPIFNTLKDNIE-LPHOPBHVSA-N 2 1 311.429 2.873 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000373614394 428620050 /nfs/dbraw/zinc/62/00/50/428620050.db2.gz BMEPIFNTLKDNIE-LPHOPBHVSA-N 2 1 311.429 2.873 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415911709 428623851 /nfs/dbraw/zinc/62/38/51/428623851.db2.gz YSMBSLQYSANCLN-UHFFFAOYSA-N 2 1 306.454 2.650 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000353621319 428626553 /nfs/dbraw/zinc/62/65/53/428626553.db2.gz LYAFNIUDJHIGRB-NCOADZHNSA-N 2 1 316.445 2.679 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000358691539 428628185 /nfs/dbraw/zinc/62/81/85/428628185.db2.gz XONSWAXSWIBTFR-CYBMUJFWSA-N 2 1 309.420 2.723 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000415928691 428628906 /nfs/dbraw/zinc/62/89/06/428628906.db2.gz GNDNFPFWDXWYDF-UHFFFAOYSA-N 2 1 318.465 2.792 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000415943414 428633831 /nfs/dbraw/zinc/63/38/31/428633831.db2.gz LWRUNRROOLUUBK-INIZCTEOSA-N 2 1 318.465 2.602 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415970491 428637364 /nfs/dbraw/zinc/63/73/64/428637364.db2.gz IFZQVWFABIARGG-CABCVRRESA-N 2 1 318.465 2.648 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000415971762 428638305 /nfs/dbraw/zinc/63/83/05/428638305.db2.gz KQANMKNJRKXIJT-PBHICJAKSA-N 2 1 318.465 2.743 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415981903 428639664 /nfs/dbraw/zinc/63/96/64/428639664.db2.gz WTOVCBWMMSWMAB-HNNXBMFYSA-N 2 1 318.465 2.779 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000353660667 428644689 /nfs/dbraw/zinc/64/46/89/428644689.db2.gz CSXGMJGKRKFJOK-IJEWVQPXSA-N 2 1 323.506 2.765 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CCO2 ZINC000353680449 274137709 /nfs/dbraw/zinc/13/77/09/274137709.db2.gz JTEUCXXDNVCZRE-DDBAPUKQSA-N 2 1 316.445 2.981 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC000416000282 428647250 /nfs/dbraw/zinc/64/72/50/428647250.db2.gz WQZPERYIIFWAAT-DYVFJYSZSA-N 2 1 316.449 2.626 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358826716 274176848 /nfs/dbraw/zinc/17/68/48/274176848.db2.gz MMGJWJBILBYTJG-BPQIPLTHSA-N 2 1 322.518 2.743 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358826716 274176849 /nfs/dbraw/zinc/17/68/49/274176849.db2.gz MMGJWJBILBYTJG-BPQIPLTHSA-N 2 1 322.518 2.743 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000362192964 428655923 /nfs/dbraw/zinc/65/59/23/428655923.db2.gz XIZSRBZJIDFEJW-MRXNPFEDSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](CC(=O)OC(C)C)C1 ZINC000362192964 428655929 /nfs/dbraw/zinc/65/59/29/428655929.db2.gz XIZSRBZJIDFEJW-MRXNPFEDSA-N 2 1 307.438 2.635 20 0 DFADMP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073902 428662092 /nfs/dbraw/zinc/66/20/92/428662092.db2.gz FYUVQCVRXKCTKT-HNNXBMFYSA-N 2 1 310.482 2.915 20 0 DFADMP CO[C@@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOC1 ZINC000348223123 428662825 /nfs/dbraw/zinc/66/28/25/428662825.db2.gz SXKPVPZBBIICCU-KBXCAEBGSA-N 2 1 315.417 2.637 20 0 DFADMP CC[N@H+]1CCC[C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416146430 428676595 /nfs/dbraw/zinc/67/65/95/428676595.db2.gz UTVZSYBHESTXBS-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152527890 274340277 /nfs/dbraw/zinc/34/02/77/274340277.db2.gz AOGDSUXIGWAICU-VXIBKDFQSA-N 2 1 301.478 2.831 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cccc3F)CCCO1 ZINC000278809572 274347596 /nfs/dbraw/zinc/34/75/96/274347596.db2.gz ZOAAQJGAQZRFOS-RDTXWAMCSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3F)CCCO1 ZINC000278809572 274347597 /nfs/dbraw/zinc/34/75/97/274347597.db2.gz ZOAAQJGAQZRFOS-RDTXWAMCSA-N 2 1 306.425 2.904 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)C[C@H]1C ZINC000353754712 428699235 /nfs/dbraw/zinc/69/92/35/428699235.db2.gz ZQANNGWIQJCGHW-CRAIPNDOSA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)C[C@H]1C ZINC000353754712 428699239 /nfs/dbraw/zinc/69/92/39/428699239.db2.gz ZQANNGWIQJCGHW-CRAIPNDOSA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)C[C@H]1C ZINC000353754712 428699246 /nfs/dbraw/zinc/69/92/46/428699246.db2.gz ZQANNGWIQJCGHW-CRAIPNDOSA-N 2 1 313.449 2.572 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416246207 428701186 /nfs/dbraw/zinc/70/11/86/428701186.db2.gz UPASCJITMSBOCR-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000353764070 428704234 /nfs/dbraw/zinc/70/42/34/428704234.db2.gz XNMMWBLPUHOUKR-JKSUJKDBSA-N 2 1 318.465 2.531 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000353764070 428704238 /nfs/dbraw/zinc/70/42/38/428704238.db2.gz XNMMWBLPUHOUKR-JKSUJKDBSA-N 2 1 318.465 2.531 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)c(OC)co1 ZINC000348317370 428705838 /nfs/dbraw/zinc/70/58/38/428705838.db2.gz IGNALVRNRBHVHK-HOCLYGCPSA-N 2 1 322.449 2.639 20 0 DFADMP CC[C@H](C)C[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358873435 428712119 /nfs/dbraw/zinc/71/21/19/428712119.db2.gz NWWFHXWDAYCFEI-ULQDDVLXSA-N 2 1 312.498 2.623 20 0 DFADMP CN(C)c1cc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000416170178 428681499 /nfs/dbraw/zinc/68/14/99/428681499.db2.gz JDAMEFSEFMHATP-UHFFFAOYSA-N 2 1 324.428 2.535 20 0 DFADMP CN(C)c1cc(NC(=O)CC[N@H+]2CCc3ccccc3C2)cc[nH+]1 ZINC000416170178 428681504 /nfs/dbraw/zinc/68/15/04/428681504.db2.gz JDAMEFSEFMHATP-UHFFFAOYSA-N 2 1 324.428 2.535 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348258319 428681533 /nfs/dbraw/zinc/68/15/33/428681533.db2.gz AARYFQJTLCBBMX-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348258319 428681536 /nfs/dbraw/zinc/68/15/36/428681536.db2.gz AARYFQJTLCBBMX-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348258319 428681541 /nfs/dbraw/zinc/68/15/41/428681541.db2.gz AARYFQJTLCBBMX-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348258319 428681546 /nfs/dbraw/zinc/68/15/46/428681546.db2.gz AARYFQJTLCBBMX-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348258319 428681548 /nfs/dbraw/zinc/68/15/48/428681548.db2.gz AARYFQJTLCBBMX-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348262032 428683217 /nfs/dbraw/zinc/68/32/17/428683217.db2.gz HZDZAOSDNFLQQH-WOJBJXKFSA-N 2 1 315.505 2.797 20 0 DFADMP C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000348269668 428686408 /nfs/dbraw/zinc/68/64/08/428686408.db2.gz VIRHPBXPZIOYAE-YJBOKZPZSA-N 2 1 311.429 2.944 20 0 DFADMP C[C@@H](CN(C)C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000348275050 428689957 /nfs/dbraw/zinc/68/99/57/428689957.db2.gz BOCIVSXUCGYEMQ-IVMQYODDSA-N 3 1 303.494 2.969 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275204 428690116 /nfs/dbraw/zinc/69/01/16/428690116.db2.gz ISBQCSZACRTQRE-WBVHZDCISA-N 2 1 315.461 2.677 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2Cc2cnc(N(C)C)n2C)cc1 ZINC000362287433 428690251 /nfs/dbraw/zinc/69/02/51/428690251.db2.gz USETZDVYNWKTGU-KRWDZBQOSA-N 2 1 314.433 2.832 20 0 DFADMP COc1ccc([C@@H]2CCCN2Cc2cnc(N(C)C)n2C)cc1 ZINC000362287433 428690260 /nfs/dbraw/zinc/69/02/60/428690260.db2.gz USETZDVYNWKTGU-KRWDZBQOSA-N 2 1 314.433 2.832 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201491 428690913 /nfs/dbraw/zinc/69/09/13/428690913.db2.gz GEPORBPTIOULJP-MSOLQXFVSA-N 2 1 317.477 2.668 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC000344673660 428691975 /nfs/dbraw/zinc/69/19/75/428691975.db2.gz LQTRZXMBVHPMJX-SJORKVTESA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000344673660 428691978 /nfs/dbraw/zinc/69/19/78/428691978.db2.gz LQTRZXMBVHPMJX-SJORKVTESA-N 2 1 317.477 2.526 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000344691569 428694134 /nfs/dbraw/zinc/69/41/34/428694134.db2.gz ZCVBNEXUPUJPEI-DZGCQCFKSA-N 2 1 322.449 2.675 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000344691569 428694140 /nfs/dbraw/zinc/69/41/40/428694140.db2.gz ZCVBNEXUPUJPEI-DZGCQCFKSA-N 2 1 322.449 2.675 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232675 428694447 /nfs/dbraw/zinc/69/44/47/428694447.db2.gz GLKOECDYALDUEP-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000344691187 428694859 /nfs/dbraw/zinc/69/48/59/428694859.db2.gz XKSNCSYBCOBDDM-XJKSGUPXSA-N 2 1 314.433 2.658 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000348290251 428695580 /nfs/dbraw/zinc/69/55/80/428695580.db2.gz BLYWYIICGVHTEJ-ZIAGYGMSSA-N 2 1 319.371 2.749 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@@H](O)C(F)(F)F ZINC000348290251 428695583 /nfs/dbraw/zinc/69/55/83/428695583.db2.gz BLYWYIICGVHTEJ-ZIAGYGMSSA-N 2 1 319.371 2.749 20 0 DFADMP OCC[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1CC1 ZINC000411191214 428755963 /nfs/dbraw/zinc/75/59/63/428755963.db2.gz ZNIGYNXTAUXGSK-UHFFFAOYSA-N 2 1 302.462 2.877 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)cs1 ZINC000374862805 428767169 /nfs/dbraw/zinc/76/71/69/428767169.db2.gz MLOPAKAGIKYECR-MRXNPFEDSA-N 2 1 309.479 2.528 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)cs1 ZINC000374862805 428767175 /nfs/dbraw/zinc/76/71/75/428767175.db2.gz MLOPAKAGIKYECR-MRXNPFEDSA-N 2 1 309.479 2.528 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000374863561 428768053 /nfs/dbraw/zinc/76/80/53/428768053.db2.gz OSROORWNDXBJDJ-GOSISDBHSA-N 2 1 321.465 2.608 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3cncs3)C2)[nH+]1 ZINC000411281290 428770426 /nfs/dbraw/zinc/77/04/26/428770426.db2.gz AFQVGHJDAXUNIV-AWEZNQCLSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3cncs3)C2)[nH+]1 ZINC000411281290 428770433 /nfs/dbraw/zinc/77/04/33/428770433.db2.gz AFQVGHJDAXUNIV-AWEZNQCLSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1nc(CO[C@@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC000374882044 428773345 /nfs/dbraw/zinc/77/33/45/428773345.db2.gz VIQPPOFRBMSJAR-HZPDHXFCSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC000374882044 428773348 /nfs/dbraw/zinc/77/33/48/428773348.db2.gz VIQPPOFRBMSJAR-HZPDHXFCSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cs1 ZINC000374882044 428773351 /nfs/dbraw/zinc/77/33/51/428773351.db2.gz VIQPPOFRBMSJAR-HZPDHXFCSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cs1 ZINC000374882044 428773355 /nfs/dbraw/zinc/77/33/55/428773355.db2.gz VIQPPOFRBMSJAR-HZPDHXFCSA-N 2 1 309.479 2.527 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C)n2)[C@@H](C)C1 ZINC000359018768 428775501 /nfs/dbraw/zinc/77/55/01/428775501.db2.gz YZPOWTDHMRXMJV-QFBILLFUSA-N 2 1 319.493 2.659 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000411320886 428777610 /nfs/dbraw/zinc/77/76/10/428777610.db2.gz BWJTXBZWJUEWGE-AWEZNQCLSA-N 2 1 319.430 2.704 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)cs1 ZINC000411320886 428777615 /nfs/dbraw/zinc/77/76/15/428777615.db2.gz BWJTXBZWJUEWGE-AWEZNQCLSA-N 2 1 319.430 2.704 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000353933831 428784075 /nfs/dbraw/zinc/78/40/75/428784075.db2.gz WMWSPQFCYCXPJF-GARNVTTQSA-N 2 1 308.466 2.715 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000353933831 428784079 /nfs/dbraw/zinc/78/40/79/428784079.db2.gz WMWSPQFCYCXPJF-GARNVTTQSA-N 2 1 308.466 2.715 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@H]1C ZINC000353944128 428789641 /nfs/dbraw/zinc/78/96/41/428789641.db2.gz JSYKXTKZKRVNBD-QAETUUGQSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)[C@H]1C ZINC000353944130 428789971 /nfs/dbraw/zinc/78/99/71/428789971.db2.gz JSYKXTKZKRVNBD-QZWWFDLISA-N 2 1 310.482 2.818 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000353828103 428737315 /nfs/dbraw/zinc/73/73/15/428737315.db2.gz QIPXFLYIQOTFDR-CEXWTWQISA-N 2 1 317.477 2.506 20 0 DFADMP CC(=O)Nc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000354078845 428849175 /nfs/dbraw/zinc/84/91/75/428849175.db2.gz ZAJBLFUHFUMQPF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000354078845 428849181 /nfs/dbraw/zinc/84/91/81/428849181.db2.gz ZAJBLFUHFUMQPF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000354078845 428849185 /nfs/dbraw/zinc/84/91/85/428849185.db2.gz ZAJBLFUHFUMQPF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000354078845 428849191 /nfs/dbraw/zinc/84/91/91/428849191.db2.gz ZAJBLFUHFUMQPF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000354078845 428849196 /nfs/dbraw/zinc/84/91/96/428849196.db2.gz ZAJBLFUHFUMQPF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP OC[C@]1(F)CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411730780 428849867 /nfs/dbraw/zinc/84/98/67/428849867.db2.gz PFCQPASYHWBHLJ-IBGZPJMESA-N 2 1 320.452 2.969 20 0 DFADMP OC[C@]1(F)CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411730780 428849873 /nfs/dbraw/zinc/84/98/73/428849873.db2.gz PFCQPASYHWBHLJ-IBGZPJMESA-N 2 1 320.452 2.969 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000354078605 428850891 /nfs/dbraw/zinc/85/08/91/428850891.db2.gz VGMYQYUHCBUXTK-AWEZNQCLSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000354078605 428850896 /nfs/dbraw/zinc/85/08/96/428850896.db2.gz VGMYQYUHCBUXTK-AWEZNQCLSA-N 2 1 312.404 2.898 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CCCC1 ZINC000345195872 428794803 /nfs/dbraw/zinc/79/48/03/428794803.db2.gz JFQFLSVFEUJITE-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411438918 428798280 /nfs/dbraw/zinc/79/82/80/428798280.db2.gz CYNYWVRFNRZODA-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2cc3c(cc(C)cc3C)[nH]2)CC1 ZINC000359075367 428805091 /nfs/dbraw/zinc/80/50/91/428805091.db2.gz YZLNWIJMAREVBC-UHFFFAOYSA-N 2 1 315.461 2.985 20 0 DFADMP C[C@H](O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411497270 428805475 /nfs/dbraw/zinc/80/54/75/428805475.db2.gz ODPJGJXEOHEJJH-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514737 428808767 /nfs/dbraw/zinc/80/87/67/428808767.db2.gz GPWFGIJFVMRWHU-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514737 428808773 /nfs/dbraw/zinc/80/87/73/428808773.db2.gz GPWFGIJFVMRWHU-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN(C)[C@@H]3CCCOC3)sc2C1 ZINC000348714424 428817034 /nfs/dbraw/zinc/81/70/34/428817034.db2.gz NSPIVVYMQOTJII-CYBMUJFWSA-N 2 1 309.479 2.520 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)CCc2ccccn2)[C@@H]1c1cccnc1 ZINC000411579596 428820230 /nfs/dbraw/zinc/82/02/30/428820230.db2.gz DRRPEZUXNWVEJI-HKUYNNGSSA-N 2 1 310.445 2.644 20 0 DFADMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359116188 428823849 /nfs/dbraw/zinc/82/38/49/428823849.db2.gz PNUKCBOIGRGMPU-FUHWJXTLSA-N 2 1 317.477 2.545 20 0 DFADMP CCCNC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359116188 428823854 /nfs/dbraw/zinc/82/38/54/428823854.db2.gz PNUKCBOIGRGMPU-FUHWJXTLSA-N 2 1 317.477 2.545 20 0 DFADMP CCCNC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359116193 428824771 /nfs/dbraw/zinc/82/47/71/428824771.db2.gz PNUKCBOIGRGMPU-WMZOPIPTSA-N 2 1 317.477 2.545 20 0 DFADMP CCCNC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000359116193 428824774 /nfs/dbraw/zinc/82/47/74/428824774.db2.gz PNUKCBOIGRGMPU-WMZOPIPTSA-N 2 1 317.477 2.545 20 0 DFADMP CC(C)(C)c1ncc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cn1 ZINC000375322524 428854939 /nfs/dbraw/zinc/85/49/39/428854939.db2.gz UAANDSHRSLSACU-BRWVUGGUSA-N 2 1 314.477 2.690 20 0 DFADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1nccn1Cc1ccccc1 ZINC000359184098 428855436 /nfs/dbraw/zinc/85/54/36/428855436.db2.gz BWOODDCXPGQHGM-UHFFFAOYSA-N 2 1 312.461 2.753 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1nccn1Cc1ccccc1 ZINC000359184098 428855441 /nfs/dbraw/zinc/85/54/41/428855441.db2.gz BWOODDCXPGQHGM-UHFFFAOYSA-N 2 1 312.461 2.753 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000354088125 428856204 /nfs/dbraw/zinc/85/62/04/428856204.db2.gz LAQUQDXNVNJQMI-HNNXBMFYSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000354088125 428856207 /nfs/dbraw/zinc/85/62/07/428856207.db2.gz LAQUQDXNVNJQMI-HNNXBMFYSA-N 2 1 312.404 2.898 20 0 DFADMP O[C@]1(C(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411811362 428863581 /nfs/dbraw/zinc/86/35/81/428863581.db2.gz XUJIBJWBVVNYIE-GOSISDBHSA-N 2 1 324.415 2.874 20 0 DFADMP Cn1cc(C[C@@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)cn1 ZINC000363134856 428867239 /nfs/dbraw/zinc/86/72/39/428867239.db2.gz MGUBAAHDGCLABZ-KRWDZBQOSA-N 2 1 321.428 2.670 20 0 DFADMP OCCC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000359219946 428873321 /nfs/dbraw/zinc/87/33/21/428873321.db2.gz NBNGXRSABOBIMN-IBGZPJMESA-N 2 1 302.462 2.748 20 0 DFADMP c1ccc(CC[N@H+](CCC2CC[NH2+]CC2)[C@@H]2CCOC2)cc1 ZINC000359223740 428874090 /nfs/dbraw/zinc/87/40/90/428874090.db2.gz ZQNATSUVFFEMKM-LJQANCHMSA-N 2 1 302.462 2.710 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(OC)nc2C)[C@@H](C)C1 ZINC000359227505 428874853 /nfs/dbraw/zinc/87/48/53/428874853.db2.gz LKFAEHXBTXTNPV-WMLDXEAASA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)cc(OC)nc2C)[C@@H](C)C1 ZINC000359227505 428874859 /nfs/dbraw/zinc/87/48/59/428874859.db2.gz LKFAEHXBTXTNPV-WMLDXEAASA-N 2 1 305.466 2.869 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)cc(OC)nc2C)[C@@H](C)C1 ZINC000359227505 428874864 /nfs/dbraw/zinc/87/48/64/428874864.db2.gz LKFAEHXBTXTNPV-WMLDXEAASA-N 2 1 305.466 2.869 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)cc(OC)nc2C)[C@@H](C)C1 ZINC000359227505 428874870 /nfs/dbraw/zinc/87/48/70/428874870.db2.gz LKFAEHXBTXTNPV-WMLDXEAASA-N 2 1 305.466 2.869 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000348955069 428885434 /nfs/dbraw/zinc/88/54/34/428885434.db2.gz CDFITYZUTMACFJ-QGZVFWFLSA-N 2 1 311.514 2.687 20 0 DFADMP CCC([NH3+])(CC)CNC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418140655 428888631 /nfs/dbraw/zinc/88/86/31/428888631.db2.gz JXCAREXFQKGREP-MRXNPFEDSA-N 2 1 324.513 2.600 20 0 DFADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000359282686 428899805 /nfs/dbraw/zinc/89/98/05/428899805.db2.gz SVMWEHKUXGBFBS-JKSUJKDBSA-N 2 1 319.493 2.599 20 0 DFADMP C[C@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354209493 428918067 /nfs/dbraw/zinc/91/80/67/428918067.db2.gz AMLOFAQGUZGXGR-BPIHKTFHSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@]1(C)CCCO ZINC000349123982 428923931 /nfs/dbraw/zinc/92/39/31/428923931.db2.gz AKTNTMOIPKKHOK-SFHVURJKSA-N 2 1 314.433 2.703 20 0 DFADMP C[N@H+](CCCCC1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375613729 428925147 /nfs/dbraw/zinc/92/51/47/428925147.db2.gz PJVUQXPTLDGPKW-QGZVFWFLSA-N 2 1 305.466 2.974 20 0 DFADMP C[N@@H+](CCCCC1CCOCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375613729 428925154 /nfs/dbraw/zinc/92/51/54/428925154.db2.gz PJVUQXPTLDGPKW-QGZVFWFLSA-N 2 1 305.466 2.974 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226421 428927771 /nfs/dbraw/zinc/92/77/71/428927771.db2.gz WCGLDQXVOHYUMX-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000359378947 428946751 /nfs/dbraw/zinc/94/67/51/428946751.db2.gz CSRXMAWWZNUTJU-ROUUACIJSA-N 2 1 305.466 2.605 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000359379683 428947560 /nfs/dbraw/zinc/94/75/60/428947560.db2.gz PGVOXXIBOKYGJI-OAGGEKHMSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H](CC[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000349298051 428959423 /nfs/dbraw/zinc/95/94/23/428959423.db2.gz OENMFGHUIWMKKR-GOSISDBHSA-N 2 1 303.494 2.750 20 0 DFADMP C[C@@H](C(=O)N[C@H](CC[NH+](C)C)C(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412125087 428959603 /nfs/dbraw/zinc/95/96/03/428959603.db2.gz GLKMXBIGTAKGDK-XUWVNRHRSA-N 2 1 311.514 2.730 20 0 DFADMP C[N@H+](C/C=C/c1ccc(F)cc1F)CCCN1CC[NH+](C)CC1 ZINC000349334649 428964482 /nfs/dbraw/zinc/96/44/82/428964482.db2.gz SRDKYMMVIAJUCA-HWKANZROSA-N 2 1 323.431 2.547 20 0 DFADMP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423536337 428968513 /nfs/dbraw/zinc/96/85/13/428968513.db2.gz HITYBKZDDATUMD-YLJYHZDGSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423536337 428968518 /nfs/dbraw/zinc/96/85/18/428968518.db2.gz HITYBKZDDATUMD-YLJYHZDGSA-N 2 1 313.489 2.796 20 0 DFADMP Cc1ccc(CC[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000363681212 428968768 /nfs/dbraw/zinc/96/87/68/428968768.db2.gz USHFLCGTBSHARH-SFHVURJKSA-N 2 1 315.505 2.638 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1F ZINC000363685724 428970360 /nfs/dbraw/zinc/97/03/60/428970360.db2.gz ITYZEQULBLTUEN-STQMWFEESA-N 2 1 303.381 2.944 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423777700 429016070 /nfs/dbraw/zinc/01/60/70/429016070.db2.gz SBUYALSDBYKWPA-DOTOQJQBSA-N 2 1 319.493 2.949 20 0 DFADMP Cc1ccc2[nH]c(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)cc2c1C ZINC000349628260 429016346 /nfs/dbraw/zinc/01/63/46/429016346.db2.gz FXZGMPQKHKXCQM-KRWDZBQOSA-N 2 1 315.461 2.721 20 0 DFADMP CC(C)(C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C[NH+]1CCCC1 ZINC000433341697 429026258 /nfs/dbraw/zinc/02/62/58/429026258.db2.gz UBVRTGDETAUWSK-UHFFFAOYSA-N 2 1 302.422 2.881 20 0 DFADMP C[C@@H](C1CCC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355067702 429027314 /nfs/dbraw/zinc/02/73/14/429027314.db2.gz YBHHTWDDCLYDAF-MAUKXSAKSA-N 2 1 317.477 2.526 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000423817262 429029216 /nfs/dbraw/zinc/02/92/16/429029216.db2.gz BJFSIZQIUKFOOF-IEBWSBKVSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000423817262 429029219 /nfs/dbraw/zinc/02/92/19/429029219.db2.gz BJFSIZQIUKFOOF-IEBWSBKVSA-N 2 1 317.477 2.627 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCOC[C@H]1c1ccc(F)cc1 ZINC000451801166 428979398 /nfs/dbraw/zinc/97/93/98/428979398.db2.gz QBXLQACUWUCGKK-KRWDZBQOSA-N 2 1 303.381 2.794 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000433079739 428988805 /nfs/dbraw/zinc/98/88/05/428988805.db2.gz YGJSJGODVKTGAY-OXHPOLQJSA-N 2 1 316.489 2.863 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000349452463 428989746 /nfs/dbraw/zinc/98/97/46/428989746.db2.gz JSOBCNZEOKHEFO-BEFAXECRSA-N 2 1 321.428 2.997 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1cncc(F)c1 ZINC000363779605 428992739 /nfs/dbraw/zinc/99/27/39/428992739.db2.gz APZKMOYKMKHMTD-LTCOOKNTSA-N 2 1 321.440 2.761 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1cncc(F)c1 ZINC000363779605 428992746 /nfs/dbraw/zinc/99/27/46/428992746.db2.gz APZKMOYKMKHMTD-LTCOOKNTSA-N 2 1 321.440 2.761 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000363788123 428993552 /nfs/dbraw/zinc/99/35/52/428993552.db2.gz WIZBTTLDWGTRQX-SNPRPXQTSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000363788123 428993563 /nfs/dbraw/zinc/99/35/63/428993563.db2.gz WIZBTTLDWGTRQX-SNPRPXQTSA-N 2 1 309.404 2.616 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000433093685 428994130 /nfs/dbraw/zinc/99/41/30/428994130.db2.gz RQIDGWDTUBUWCS-HOTGVXAUSA-N 2 1 314.539 2.999 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375849862 428995164 /nfs/dbraw/zinc/99/51/64/428995164.db2.gz IHBMPLOKAPNBRP-OTWHNJEPSA-N 2 1 318.461 2.927 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CC(C)(C)C3)cc2)CC1 ZINC000433171887 429003399 /nfs/dbraw/zinc/00/33/99/429003399.db2.gz FONXNWSCYRVQCI-UHFFFAOYSA-N 2 1 301.478 2.712 20 0 DFADMP COCC[N@@H+](CCC[NH+]1CCCCC1)[C@H]1CCCSC1 ZINC000433205314 429011114 /nfs/dbraw/zinc/01/11/14/429011114.db2.gz KMKRHSZWOMPRCU-INIZCTEOSA-N 2 1 300.512 2.706 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000375907431 429013038 /nfs/dbraw/zinc/01/30/38/429013038.db2.gz SCGAJTMHDQSNGA-GOSISDBHSA-N 2 1 321.896 2.940 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000423462775 429090821 /nfs/dbraw/zinc/09/08/21/429090821.db2.gz FDBKBWZNNJKHNE-SMDDNHRTSA-N 2 1 311.376 2.540 20 0 DFADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423466283 429091805 /nfs/dbraw/zinc/09/18/05/429091805.db2.gz NHZWTDWIAGHJHK-MANSERQUSA-N 2 1 301.478 2.757 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c(OC)c1 ZINC000423464071 429092820 /nfs/dbraw/zinc/09/28/20/429092820.db2.gz BCPDUKOMHYUNIM-NEPJUHHUSA-N 2 1 314.376 2.599 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1(CC)CC ZINC000423472276 429093025 /nfs/dbraw/zinc/09/30/25/429093025.db2.gz HXIXHXMLTOADMS-HZSPNIEDSA-N 2 1 304.425 2.805 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423463612 429093109 /nfs/dbraw/zinc/09/31/09/429093109.db2.gz ASGDRGSQEPMVQD-DZGCQCFKSA-N 2 1 320.387 2.768 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423475843 429093900 /nfs/dbraw/zinc/09/39/00/429093900.db2.gz KQCUNCQLICKALS-XJKSGUPXSA-N 2 1 310.388 2.907 20 0 DFADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423479997 429094676 /nfs/dbraw/zinc/09/46/76/429094676.db2.gz VWKOKZNMOKMRSY-JAQSECSASA-N 2 1 301.478 2.755 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423482210 429096483 /nfs/dbraw/zinc/09/64/83/429096483.db2.gz XHVACXGLADYJKB-KOLCDFICSA-N 2 1 301.228 2.846 20 0 DFADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000421872219 429043803 /nfs/dbraw/zinc/04/38/03/429043803.db2.gz GNTPSLVLIJUBLJ-MANSERQUSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423281145 429055986 /nfs/dbraw/zinc/05/59/86/429055986.db2.gz UYMJITJMQCPNMX-YSVLISHTSA-N 2 1 313.449 2.662 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423283855 429058164 /nfs/dbraw/zinc/05/81/64/429058164.db2.gz WKULAAWWMJPOCX-SUMWQHHRSA-N 2 1 318.465 2.948 20 0 DFADMP CC(C)([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423287397 429058573 /nfs/dbraw/zinc/05/85/73/429058573.db2.gz MAJPPCWJQPCARF-KZNAEPCWSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423306559 429060222 /nfs/dbraw/zinc/06/02/22/429060222.db2.gz LTZBMNTYPXBVMT-GSEOLPGOSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423306559 429060226 /nfs/dbraw/zinc/06/02/26/429060226.db2.gz LTZBMNTYPXBVMT-GSEOLPGOSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423306559 429060229 /nfs/dbraw/zinc/06/02/29/429060229.db2.gz LTZBMNTYPXBVMT-GSEOLPGOSA-N 2 1 315.505 2.862 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423303346 429060717 /nfs/dbraw/zinc/06/07/17/429060717.db2.gz WXKWBYWODVTGGJ-QXAKKESOSA-N 2 1 319.493 2.556 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423321049 429062735 /nfs/dbraw/zinc/06/27/35/429062735.db2.gz FXMSKWXDGPDQMQ-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423322329 429063363 /nfs/dbraw/zinc/06/33/63/429063363.db2.gz IFRCMZYYERQIHR-GUDVDZBRSA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423322329 429063364 /nfs/dbraw/zinc/06/33/64/429063364.db2.gz IFRCMZYYERQIHR-GUDVDZBRSA-N 2 1 301.478 2.758 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1Br ZINC000423316701 429063867 /nfs/dbraw/zinc/06/38/67/429063867.db2.gz JZHJMYDORJOLCB-RNCFNFMXSA-N 2 1 313.239 2.846 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423326550 429066066 /nfs/dbraw/zinc/06/60/66/429066066.db2.gz CKLVIOUFXQVXDQ-IPMKNSEASA-N 2 1 301.478 2.801 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423326550 429066067 /nfs/dbraw/zinc/06/60/67/429066067.db2.gz CKLVIOUFXQVXDQ-IPMKNSEASA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423329570 429066376 /nfs/dbraw/zinc/06/63/76/429066376.db2.gz MVTSHFJSKMCJKC-ILXRZTDVSA-N 2 1 303.450 2.557 20 0 DFADMP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337850 429067904 /nfs/dbraw/zinc/06/79/04/429067904.db2.gz UGPOWPZGJHSQOR-IEBWSBKVSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423337850 429067908 /nfs/dbraw/zinc/06/79/08/429067908.db2.gz UGPOWPZGJHSQOR-IEBWSBKVSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H](C[NH3+])N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423331994 429068599 /nfs/dbraw/zinc/06/85/99/429068599.db2.gz QPVIQIMSMBVGLR-XGXHKWSGSA-N 2 1 301.478 2.614 20 0 DFADMP [NH3+]C1(CN[C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423337420 429068757 /nfs/dbraw/zinc/06/87/57/429068757.db2.gz VNZXTSQCRMOQMB-GUDVDZBRSA-N 2 1 313.489 2.758 20 0 DFADMP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423345616 429069682 /nfs/dbraw/zinc/06/96/82/429069682.db2.gz PGPGUZCNRPCAFH-IHPCNDPISA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423345616 429069686 /nfs/dbraw/zinc/06/96/86/429069686.db2.gz PGPGUZCNRPCAFH-IHPCNDPISA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423345616 429069690 /nfs/dbraw/zinc/06/96/90/429069690.db2.gz PGPGUZCNRPCAFH-IHPCNDPISA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[C@H](NC[C@]2(C)CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423343607 429070180 /nfs/dbraw/zinc/07/01/80/429070180.db2.gz XACXHDQBMOOVMV-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423343607 429070184 /nfs/dbraw/zinc/07/01/84/429070184.db2.gz XACXHDQBMOOVMV-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000423345336 429070809 /nfs/dbraw/zinc/07/08/09/429070809.db2.gz YTXIRCNOILOXCC-CQSZACIVSA-N 2 1 303.450 2.701 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423363734 429071412 /nfs/dbraw/zinc/07/14/12/429071412.db2.gz VCWHTZHGGVUARV-IRXDYDNUSA-N 2 1 309.498 2.521 20 0 DFADMP COc1ccc(C[C@H]([NH2+][C@@H](C)C[NH3+])c2ccc(OC)cc2)cc1 ZINC000423363466 429071541 /nfs/dbraw/zinc/07/15/41/429071541.db2.gz JARFNIDYONEEKV-LIRRHRJNSA-N 2 1 314.429 2.924 20 0 DFADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000376180486 429071780 /nfs/dbraw/zinc/07/17/80/429071780.db2.gz HFROMRCSALMKAP-GVDBMIGSSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000423370677 429075048 /nfs/dbraw/zinc/07/50/48/429075048.db2.gz DUCKBAVCGUYBNY-JUSBFGHESA-N 2 1 313.489 2.912 20 0 DFADMP Cn1cc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000376208395 429076857 /nfs/dbraw/zinc/07/68/57/429076857.db2.gz GTBVSUABGZLFSS-IHWFROFDSA-N 2 1 324.472 2.748 20 0 DFADMP C[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423396213 429079544 /nfs/dbraw/zinc/07/95/44/429079544.db2.gz RNPYWHOFPNBSFO-QXCFHYIPSA-N 2 1 301.478 2.627 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423415003 429083754 /nfs/dbraw/zinc/08/37/54/429083754.db2.gz CZHKRDBRMGZBFV-RHSMWYFYSA-N 2 1 303.450 2.701 20 0 DFADMP COC[C@]1(C[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCC[NH2+]1 ZINC000423413070 429083841 /nfs/dbraw/zinc/08/38/41/429083841.db2.gz JPTXGVVAKUNTOE-BHIYHBOVSA-N 2 1 318.461 2.513 20 0 DFADMP COC[C@]1(C[NH2+][C@@H](C)Cc2coc3ccccc23)CCC[NH2+]1 ZINC000423413233 429083874 /nfs/dbraw/zinc/08/38/74/429083874.db2.gz JVTPRLRUIAUKHM-KBXCAEBGSA-N 2 1 302.418 2.722 20 0 DFADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423419293 429084947 /nfs/dbraw/zinc/08/49/47/429084947.db2.gz VOYQBPHXOFKBOD-QZTJIDSGSA-N 2 1 321.509 2.665 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)[C@H](C)C1 ZINC000423415737 429085816 /nfs/dbraw/zinc/08/58/16/429085816.db2.gz AZNHHNCKTIGDAS-KEYYUXOJSA-N 2 1 303.450 2.509 20 0 DFADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423433438 429087079 /nfs/dbraw/zinc/08/70/79/429087079.db2.gz CJRIWNDCFOBOFA-BHEBFOIGSA-N 2 1 301.478 2.612 20 0 DFADMP COc1ccc([C@@H](Cc2ccccc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423433113 429087185 /nfs/dbraw/zinc/08/71/85/429087185.db2.gz PEDOVXUOJLYFGP-WCIQWLHISA-N 2 1 308.425 2.786 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000424434496 429142903 /nfs/dbraw/zinc/14/29/03/429142903.db2.gz JXUDUNOTCQROEN-HNNXBMFYSA-N 2 1 318.465 2.553 20 0 DFADMP Cn1ccnc1C[N@@H+](CC1CCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432362 429143110 /nfs/dbraw/zinc/14/31/10/429143110.db2.gz IOVZZMUWFRCTJQ-INIZCTEOSA-N 2 1 302.466 2.554 20 0 DFADMP CC[N@@H+](CCc1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435619279 429152125 /nfs/dbraw/zinc/15/21/25/429152125.db2.gz TYWHQRNLXGZIRP-MRXNPFEDSA-N 2 1 314.433 2.743 20 0 DFADMP CC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623027 429152642 /nfs/dbraw/zinc/15/26/42/429152642.db2.gz BFAMIUMREYZWJO-IRXDYDNUSA-N 2 1 311.514 2.781 20 0 DFADMP CC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623027 429152645 /nfs/dbraw/zinc/15/26/45/429152645.db2.gz BFAMIUMREYZWJO-IRXDYDNUSA-N 2 1 311.514 2.781 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C[N@H+]1C1CC1 ZINC000424138978 429098472 /nfs/dbraw/zinc/09/84/72/429098472.db2.gz CTWDVHAKBMWYCZ-OIISXLGYSA-N 2 1 321.509 2.806 20 0 DFADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423496629 429098505 /nfs/dbraw/zinc/09/85/05/429098505.db2.gz FBUXCNOARSICON-KUHUBIRLSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@@H](CNC(=O)CC[C@H]([NH3+])CC1CCCCC1)[N@@H+](C)C1CC1 ZINC000424143228 429098809 /nfs/dbraw/zinc/09/88/09/429098809.db2.gz FNTNQDFFPMTFMQ-HOCLYGCPSA-N 2 1 309.498 2.663 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000452346435 429099663 /nfs/dbraw/zinc/09/96/63/429099663.db2.gz VQXYGIDTSVZTDS-ROUUACIJSA-N 2 1 323.525 2.878 20 0 DFADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423496627 429099775 /nfs/dbraw/zinc/09/97/75/429099775.db2.gz FBUXCNOARSICON-AUUYWEPGSA-N 2 1 317.477 2.533 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)[C@H]1Oc1ccccc1 ZINC000423500496 429101922 /nfs/dbraw/zinc/10/19/22/429101922.db2.gz KIGWMLAKZATOPN-INDMIFKZSA-N 2 1 318.461 2.719 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424158241 429102222 /nfs/dbraw/zinc/10/22/22/429102222.db2.gz QZACANVXMPGUAB-LLVKDONJSA-N 2 1 323.343 2.939 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](C[C@H]2CCCOC2)CC1 ZINC000434643768 429102708 /nfs/dbraw/zinc/10/27/08/429102708.db2.gz DCFQIVGSGASLCJ-MJGOQNOKSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](C[C@H]2CCCOC2)CC1 ZINC000434643768 429102712 /nfs/dbraw/zinc/10/27/12/429102712.db2.gz DCFQIVGSGASLCJ-MJGOQNOKSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000434643768 429102714 /nfs/dbraw/zinc/10/27/14/429102714.db2.gz DCFQIVGSGASLCJ-MJGOQNOKSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000434643768 429102719 /nfs/dbraw/zinc/10/27/19/429102719.db2.gz DCFQIVGSGASLCJ-MJGOQNOKSA-N 2 1 317.477 2.795 20 0 DFADMP CC[N@@H+](CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424162513 429103055 /nfs/dbraw/zinc/10/30/55/429103055.db2.gz WYTUAVURRPDMMI-INIZCTEOSA-N 2 1 309.498 2.665 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423507888 429103438 /nfs/dbraw/zinc/10/34/38/429103438.db2.gz IRJXDPUQARRYNW-ATZDWAIDSA-N 2 1 301.478 2.614 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1)C1CC1 ZINC000434678840 429105088 /nfs/dbraw/zinc/10/50/88/429105088.db2.gz KYNZVZLTQONPBL-UHFFFAOYSA-N 2 1 315.461 2.543 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423526628 429108191 /nfs/dbraw/zinc/10/81/91/429108191.db2.gz ZRNNHUIYKDLEGH-QLOJAFMTSA-N 2 1 313.489 2.788 20 0 DFADMP Cc1ccsc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423526446 429108355 /nfs/dbraw/zinc/10/83/55/429108355.db2.gz ZINYGHLZRMHUFO-FHERZECASA-N 2 1 307.507 2.924 20 0 DFADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000423525660 429108866 /nfs/dbraw/zinc/10/88/66/429108866.db2.gz KUKCJPIUTYDLDW-UJMXGEILSA-N 2 1 314.473 2.927 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)o1 ZINC000423526916 429109171 /nfs/dbraw/zinc/10/91/71/429109171.db2.gz ZZMXDQQOKZZPGL-FHERZECASA-N 2 1 305.466 2.709 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423520749 429109504 /nfs/dbraw/zinc/10/95/04/429109504.db2.gz QFLRYDWKTJWTOC-KBAYOESNSA-N 2 1 321.896 2.859 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OC(F)F)cc1 ZINC000423530277 429110258 /nfs/dbraw/zinc/11/02/58/429110258.db2.gz YSBPTYZHSBNEIW-LSDHHAIUSA-N 2 1 314.376 2.707 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000423530225 429110592 /nfs/dbraw/zinc/11/05/92/429110592.db2.gz YNEGVLACDIIWFA-MOPGFXCFSA-N 2 1 301.478 2.801 20 0 DFADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423529257 429111324 /nfs/dbraw/zinc/11/13/24/429111324.db2.gz XOIGNTZWQFKEGH-ZWKOTPCHSA-N 2 1 305.441 2.550 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424277133 429118350 /nfs/dbraw/zinc/11/83/50/429118350.db2.gz BLZVVAKIUKDVAW-WMZOPIPTSA-N 2 1 319.468 2.532 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1C ZINC000424287475 429120211 /nfs/dbraw/zinc/12/02/11/429120211.db2.gz IVXUZLXQUDGYRD-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc(F)c1)CC[NH2+]CC2 ZINC000424296664 429121135 /nfs/dbraw/zinc/12/11/35/429121135.db2.gz SDOMQLCKLMZZGH-CQSZACIVSA-N 2 1 319.424 2.618 20 0 DFADMP Fc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)cc1F ZINC000424291430 429121557 /nfs/dbraw/zinc/12/15/57/429121557.db2.gz NVSLOEGHHPJDEY-UHFFFAOYSA-N 2 1 318.371 2.602 20 0 DFADMP C[N@@H+](CCSCC[NH+]1CCCOCC1)Cc1ccccc1 ZINC000413008594 429121962 /nfs/dbraw/zinc/12/19/62/429121962.db2.gz YIBUSVWECIMDBW-UHFFFAOYSA-N 2 1 308.491 2.574 20 0 DFADMP C[NH+](CCSCC[N@@H+]1CCCOCC1)Cc1ccccc1 ZINC000413008594 429121966 /nfs/dbraw/zinc/12/19/66/429121966.db2.gz YIBUSVWECIMDBW-UHFFFAOYSA-N 2 1 308.491 2.574 20 0 DFADMP C[NH+](CCSCC[N@H+]1CCCOCC1)Cc1ccccc1 ZINC000413008594 429121971 /nfs/dbraw/zinc/12/19/71/429121971.db2.gz YIBUSVWECIMDBW-UHFFFAOYSA-N 2 1 308.491 2.574 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424300544 429122328 /nfs/dbraw/zinc/12/23/28/429122328.db2.gz WPSNUKDZVSJFPB-MRXNPFEDSA-N 2 1 318.461 2.928 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-n3ccnc3)cc1)CC[NH2+]CC2 ZINC000424298341 429122402 /nfs/dbraw/zinc/12/24/02/429122402.db2.gz ULQJBCMSAJTGPX-INIZCTEOSA-N 2 1 310.445 2.836 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424299933 429123274 /nfs/dbraw/zinc/12/32/74/429123274.db2.gz WGOLCNPSXRDZRH-INIZCTEOSA-N 2 1 318.461 2.928 20 0 DFADMP CN1CC[N@@H+](C[C@H](C[NH3+])c2ccc(F)cc2)Cc2ccccc21 ZINC000424307460 429124942 /nfs/dbraw/zinc/12/49/42/429124942.db2.gz XPLUWLIMLCEWKT-KRWDZBQOSA-N 2 1 313.420 2.820 20 0 DFADMP COC(=O)CC1CC([NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000424324685 429126485 /nfs/dbraw/zinc/12/64/85/429126485.db2.gz XAGXONUAFPNTQG-DAWZGUTISA-N 2 1 322.493 2.962 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369888 429134098 /nfs/dbraw/zinc/13/40/98/429134098.db2.gz GKAYJBGRKCZYNY-ZBFHGGJFSA-N 2 1 308.441 2.944 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435374382 429135332 /nfs/dbraw/zinc/13/53/32/429135332.db2.gz IMOYDYRQEAZEEU-WBVHZDCISA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000435380282 429135704 /nfs/dbraw/zinc/13/57/04/429135704.db2.gz NBOIKDUIHIOXHN-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@H]1[NH3+] ZINC000435380282 429135706 /nfs/dbraw/zinc/13/57/06/429135706.db2.gz NBOIKDUIHIOXHN-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000435377805 429136497 /nfs/dbraw/zinc/13/64/97/429136497.db2.gz FKJQGFINFPEXRP-AEGPPILISA-N 2 1 300.406 2.537 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000435380283 429136529 /nfs/dbraw/zinc/13/65/29/429136529.db2.gz NBOIKDUIHIOXHN-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000435380283 429136533 /nfs/dbraw/zinc/13/65/33/429136533.db2.gz NBOIKDUIHIOXHN-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435438807 429142145 /nfs/dbraw/zinc/14/21/45/429142145.db2.gz RNOMDPJXOZXHJL-CQSZACIVSA-N 2 1 302.447 2.779 20 0 DFADMP C[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435438807 429142150 /nfs/dbraw/zinc/14/21/50/429142150.db2.gz RNOMDPJXOZXHJL-CQSZACIVSA-N 2 1 302.447 2.779 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCCCC1 ZINC000494924681 429165316 /nfs/dbraw/zinc/16/53/16/429165316.db2.gz QYGMSCHCUKSUOO-JKSUJKDBSA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)N2CC[N@@H+](C)CC23CCCCC3)CC1 ZINC000487501033 429157978 /nfs/dbraw/zinc/15/79/78/429157978.db2.gz NXQKHONYTHTBBF-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000435940457 429172418 /nfs/dbraw/zinc/17/24/18/429172418.db2.gz RCPMAFXVJKIAMQ-OWCLPIDISA-N 2 1 309.498 2.579 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2c(cccc2F)[nH]1 ZINC000436226872 429189242 /nfs/dbraw/zinc/18/92/42/429189242.db2.gz KBZPZBVLDQJWBH-HNNXBMFYSA-N 2 1 319.424 2.634 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cs1 ZINC000436293912 429194325 /nfs/dbraw/zinc/19/43/25/429194325.db2.gz WGIIBMPFCYHOJZ-HUUCEWRRSA-N 2 1 302.447 2.855 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cs1 ZINC000436293912 429194326 /nfs/dbraw/zinc/19/43/26/429194326.db2.gz WGIIBMPFCYHOJZ-HUUCEWRRSA-N 2 1 302.447 2.855 20 0 DFADMP C(C1CCC2(CC1)OCCO2)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000190243036 275389711 /nfs/dbraw/zinc/38/97/11/275389711.db2.gz NUIBAFCCFOVMMS-GOSISDBHSA-N 2 1 322.493 2.870 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495452374 429210452 /nfs/dbraw/zinc/21/04/52/429210452.db2.gz CIBWDCKAEOXIHI-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[C@H]3CC[C@H](C)O3)CC2)nc(C)[nH+]1 ZINC000364488297 429211716 /nfs/dbraw/zinc/21/17/16/429211716.db2.gz AXZVNYYOSPULBV-WMLDXEAASA-N 2 1 318.465 2.562 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@H]3CC[C@H](C)O3)CC2)nc(C)[nH+]1 ZINC000364488297 429211720 /nfs/dbraw/zinc/21/17/20/429211720.db2.gz AXZVNYYOSPULBV-WMLDXEAASA-N 2 1 318.465 2.562 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000364438451 429204200 /nfs/dbraw/zinc/20/42/00/429204200.db2.gz AUUXEBZXAQJIMY-JQHSSLGASA-N 2 1 318.461 2.989 20 0 DFADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cncnc2)CC3)cc1 ZINC000364441854 429204731 /nfs/dbraw/zinc/20/47/31/429204731.db2.gz PDLODYQBURLUGR-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767333 429235477 /nfs/dbraw/zinc/23/54/77/429235477.db2.gz YJTNDEOVZWVLPP-VXGBXAGGSA-N 2 1 320.824 2.602 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364675205 429248309 /nfs/dbraw/zinc/24/83/09/429248309.db2.gz SXSNWELMMSSPRH-HNNXBMFYSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364675205 429248312 /nfs/dbraw/zinc/24/83/12/429248312.db2.gz SXSNWELMMSSPRH-HNNXBMFYSA-N 2 1 312.417 2.536 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000495716044 429252704 /nfs/dbraw/zinc/25/27/04/429252704.db2.gz GKLHKVKVHMSMRX-KBPBESRZSA-N 2 1 324.469 2.863 20 0 DFADMP CC(C)n1ccnc1CN1CCC[N@@H+](C[C@H]2CCC=CO2)CC1 ZINC000364763723 429262919 /nfs/dbraw/zinc/26/29/19/429262919.db2.gz GGXLJOREALNMDQ-QGZVFWFLSA-N 2 1 318.465 2.664 20 0 DFADMP COC(=O)[C@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC1(C)C ZINC000364763968 429263400 /nfs/dbraw/zinc/26/34/00/429263400.db2.gz IXTOSKKHJKLLPV-MRXNPFEDSA-N 2 1 313.401 2.503 20 0 DFADMP CC(C)n1ccnc1CN1CCC[N@@H+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000365055337 429274700 /nfs/dbraw/zinc/27/47/00/429274700.db2.gz OZWBNDGNDMEHQG-DLBZAZTESA-N 2 1 320.481 2.539 20 0 DFADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491024687 429320206 /nfs/dbraw/zinc/32/02/06/429320206.db2.gz XWHQBXGAHFWTSQ-MJGOQNOKSA-N 2 1 307.526 2.915 20 0 DFADMP COCCOc1cccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365453230 429322420 /nfs/dbraw/zinc/32/24/20/429322420.db2.gz DSDSHHCZBMMWFQ-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000365453230 429322422 /nfs/dbraw/zinc/32/24/22/429322422.db2.gz DSDSHHCZBMMWFQ-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449077099 429326040 /nfs/dbraw/zinc/32/60/40/429326040.db2.gz IVGLETVMUIJPCW-UHFFFAOYSA-N 2 1 319.493 2.511 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](CC(C)(C)C)[NH2+]C)c1 ZINC000449100722 429331815 /nfs/dbraw/zinc/33/18/15/429331815.db2.gz SGZRDSJMXDPFKF-QGZVFWFLSA-N 2 1 319.493 2.779 20 0 DFADMP CCn1nccc1C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000365519014 429333310 /nfs/dbraw/zinc/33/33/10/429333310.db2.gz XKGKXDGZCOXVIE-QGZVFWFLSA-N 2 1 304.482 2.957 20 0 DFADMP Brc1cccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000365547543 429338523 /nfs/dbraw/zinc/33/85/23/429338523.db2.gz CSWQGBBTJDXZKW-ZDUSSCGKSA-N 2 1 320.234 2.998 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000449134205 429339579 /nfs/dbraw/zinc/33/95/79/429339579.db2.gz HNEYPLULCVCSIP-IIAWOOMASA-N 2 1 323.506 2.635 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCOCC(F)(F)F)C2)c1 ZINC000365310420 429299104 /nfs/dbraw/zinc/29/91/04/429299104.db2.gz GAPQJKWVWGBSMM-CYBMUJFWSA-N 2 1 317.355 2.703 20 0 DFADMP CC1(c2ccc(F)cc2)CC([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000365405599 429313688 /nfs/dbraw/zinc/31/36/88/429313688.db2.gz SXJRONXRMVCBRL-UHFFFAOYSA-N 2 1 320.452 2.682 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449349632 429395646 /nfs/dbraw/zinc/39/56/46/429395646.db2.gz SARLUKXELMJMLR-BZUAXINKSA-N 2 1 318.465 2.517 20 0 DFADMP CC[NH+]1CCC([NH2+]CCOc2ccc(F)c(Cl)c2)CC1 ZINC000449400257 429404139 /nfs/dbraw/zinc/40/41/39/429404139.db2.gz HQWXGGCPDXMNIV-UHFFFAOYSA-N 2 1 300.805 2.932 20 0 DFADMP COCc1cccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425901833 429351670 /nfs/dbraw/zinc/35/16/70/429351670.db2.gz QUJLITUPZRSAQK-UHFFFAOYSA-N 2 1 315.417 2.578 20 0 DFADMP C[C@H]1[C@@H](CO)CC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000425977482 429356124 /nfs/dbraw/zinc/35/61/24/429356124.db2.gz VITZGDRHLBVUHJ-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1[C@@H](CO)CC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000425977482 429356125 /nfs/dbraw/zinc/35/61/25/429356125.db2.gz VITZGDRHLBVUHJ-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1[C@@H](CO)CC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000425977482 429356127 /nfs/dbraw/zinc/35/61/27/429356127.db2.gz VITZGDRHLBVUHJ-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@H+](Cc1ccncc1F)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000449242003 429365089 /nfs/dbraw/zinc/36/50/89/429365089.db2.gz VRTOCMIJOYWMBG-UHFFFAOYSA-N 2 1 314.408 2.964 20 0 DFADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426708268 429410111 /nfs/dbraw/zinc/41/01/11/429410111.db2.gz IFIJASAESZVKON-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)cnc21 ZINC000514742169 429370632 /nfs/dbraw/zinc/37/06/32/429370632.db2.gz LIODJRKJWGOKLP-HNNXBMFYSA-N 2 1 315.465 2.832 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)cnc21 ZINC000514742169 429370636 /nfs/dbraw/zinc/37/06/36/429370636.db2.gz LIODJRKJWGOKLP-HNNXBMFYSA-N 2 1 315.465 2.832 20 0 DFADMP C=Cn1cc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)cn1 ZINC000365795441 429373947 /nfs/dbraw/zinc/37/39/47/429373947.db2.gz NLYPSRGWKLFQDG-INIZCTEOSA-N 2 1 300.450 2.680 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[NH+]2C2CC2)C1 ZINC000426294275 429381166 /nfs/dbraw/zinc/38/11/66/429381166.db2.gz SWUSWCOQIYRRKQ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000426294275 429381172 /nfs/dbraw/zinc/38/11/72/429381172.db2.gz SWUSWCOQIYRRKQ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCC[N@H+]2C2CC2)C1 ZINC000426294275 429381185 /nfs/dbraw/zinc/38/11/85/429381185.db2.gz SWUSWCOQIYRRKQ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cs1 ZINC000449326431 429387467 /nfs/dbraw/zinc/38/74/67/429387467.db2.gz VTHRWWNIHBGXMA-JWTNVVGKSA-N 2 1 319.518 2.799 20 0 DFADMP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cs1 ZINC000449326431 429387469 /nfs/dbraw/zinc/38/74/69/429387469.db2.gz VTHRWWNIHBGXMA-JWTNVVGKSA-N 2 1 319.518 2.799 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427297195 429443182 /nfs/dbraw/zinc/44/31/82/429443182.db2.gz YLVMAHUOWJYXSL-IAGOWNOFSA-N 2 1 309.498 2.537 20 0 DFADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)c1OC ZINC000449560836 429448604 /nfs/dbraw/zinc/44/86/04/429448604.db2.gz QAFIWODAULWXFK-MQVJKMGUSA-N 2 1 304.434 2.727 20 0 DFADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)c1OC ZINC000449560836 429448606 /nfs/dbraw/zinc/44/86/06/429448606.db2.gz QAFIWODAULWXFK-MQVJKMGUSA-N 2 1 304.434 2.727 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000519110500 429448890 /nfs/dbraw/zinc/44/88/90/429448890.db2.gz AGVKMLNWJKMJGI-HOCLYGCPSA-N 2 1 305.470 2.748 20 0 DFADMP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268879009 275697543 /nfs/dbraw/zinc/69/75/43/275697543.db2.gz JPKAMDMPKBQHLW-IBGZPJMESA-N 2 1 304.478 2.690 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)CCn2cc[nH+]c2C(C)C)cc1 ZINC000449622320 429463224 /nfs/dbraw/zinc/46/32/24/429463224.db2.gz DGCAAAORDHYODU-UHFFFAOYSA-N 2 1 300.406 2.755 20 0 DFADMP Cn1cc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C2CCCCC2)n1 ZINC000366492224 429463531 /nfs/dbraw/zinc/46/35/31/429463531.db2.gz UTJQRLAKHYGXNC-LJQANCHMSA-N 2 1 316.493 2.995 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366490182 429464076 /nfs/dbraw/zinc/46/40/76/429464076.db2.gz NNKJDIJGIYGTHD-BEFAXECRSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366490182 429464078 /nfs/dbraw/zinc/46/40/78/429464078.db2.gz NNKJDIJGIYGTHD-BEFAXECRSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366490182 429464081 /nfs/dbraw/zinc/46/40/81/429464081.db2.gz NNKJDIJGIYGTHD-BEFAXECRSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366490182 429464084 /nfs/dbraw/zinc/46/40/84/429464084.db2.gz NNKJDIJGIYGTHD-BEFAXECRSA-N 2 1 316.445 2.937 20 0 DFADMP CCN(CC)c1ncc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)s1 ZINC000366492664 429464770 /nfs/dbraw/zinc/46/47/70/429464770.db2.gz WEKJVKDUQXKRRZ-INIZCTEOSA-N 2 1 308.495 2.517 20 0 DFADMP CO[C@@H]1C[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)C12CCC2 ZINC000449632842 429465017 /nfs/dbraw/zinc/46/50/17/429465017.db2.gz NXPBFKQRNVXYKO-UONOGXRCSA-N 2 1 309.479 2.594 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000427122278 429433095 /nfs/dbraw/zinc/43/30/95/429433095.db2.gz PTDCDCURCPZNSW-QFBILLFUSA-N 2 1 310.445 2.579 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000427122277 429433661 /nfs/dbraw/zinc/43/36/61/429433661.db2.gz PTDCDCURCPZNSW-LPHOPBHVSA-N 2 1 310.445 2.579 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@H](C)C1 ZINC000449691932 429480682 /nfs/dbraw/zinc/48/06/82/429480682.db2.gz ZBAALBKOAQVZGX-PBHICJAKSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@H](C)C1 ZINC000449691932 429480686 /nfs/dbraw/zinc/48/06/86/429480686.db2.gz ZBAALBKOAQVZGX-PBHICJAKSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)CSC)CC1)CC1CC1 ZINC000492192885 429485028 /nfs/dbraw/zinc/48/50/28/429485028.db2.gz KORCFFLHQHGQRQ-KRWDZBQOSA-N 2 1 314.539 2.544 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000449712623 429486458 /nfs/dbraw/zinc/48/64/58/429486458.db2.gz SQQCLAWVPBOBBS-WZGPROSRSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000449712623 429486462 /nfs/dbraw/zinc/48/64/62/429486462.db2.gz SQQCLAWVPBOBBS-WZGPROSRSA-N 2 1 302.462 2.790 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CCC1 ZINC000449738996 429492655 /nfs/dbraw/zinc/49/26/55/429492655.db2.gz HSLPLJHOUAHXJJ-VNTMZGSJSA-N 2 1 314.473 2.648 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CCC1 ZINC000449738994 429493542 /nfs/dbraw/zinc/49/35/42/429493542.db2.gz HSLPLJHOUAHXJJ-MTQWCTHYSA-N 2 1 314.473 2.648 20 0 DFADMP CC(C)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@H]32)nc(N(C)C)[nH+]1 ZINC000428162109 429494708 /nfs/dbraw/zinc/49/47/08/429494708.db2.gz LZULVJUIUQOPQK-GOEBONIOSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc(N(C)C)[nH+]1 ZINC000428162109 429494712 /nfs/dbraw/zinc/49/47/12/429494712.db2.gz LZULVJUIUQOPQK-GOEBONIOSA-N 2 1 317.481 2.587 20 0 DFADMP COC[C@H]1CCCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449761571 429499616 /nfs/dbraw/zinc/49/96/16/429499616.db2.gz YVZVDICAGNCEHU-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000428237631 429504249 /nfs/dbraw/zinc/50/42/49/429504249.db2.gz BJMBLXFJECBTKH-HOTGVXAUSA-N 2 1 311.433 2.983 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H]2CCOc3ccccc32)CCCO1 ZINC000366777108 429512184 /nfs/dbraw/zinc/51/21/84/429512184.db2.gz ODBDXLPKGMKUFM-IAGOWNOFSA-N 2 1 318.461 2.643 20 0 DFADMP CN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000520400785 429513500 /nfs/dbraw/zinc/51/35/00/429513500.db2.gz RRXVKOZOGYNLDF-PKOBYXMFSA-N 2 1 301.478 2.929 20 0 DFADMP CN(CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000520400785 429513503 /nfs/dbraw/zinc/51/35/03/429513503.db2.gz RRXVKOZOGYNLDF-PKOBYXMFSA-N 2 1 301.478 2.929 20 0 DFADMP FC(F)Oc1cccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000366790213 429514662 /nfs/dbraw/zinc/51/46/62/429514662.db2.gz KHAVEFYIBFQTIH-CYBMUJFWSA-N 2 1 307.344 2.837 20 0 DFADMP Brc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000366798955 429516549 /nfs/dbraw/zinc/51/65/49/429516549.db2.gz SQRYZQFYIYLRMK-JTQLQIEISA-N 2 1 310.195 2.591 20 0 DFADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449828469 429519933 /nfs/dbraw/zinc/51/99/33/429519933.db2.gz XEPQMDBIGLKZEK-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@H]1C[C@@H]1c1cccs1 ZINC000366955371 429547410 /nfs/dbraw/zinc/54/74/10/429547410.db2.gz ZYXGWJFLLGIEGV-RBZJEDDUSA-N 2 1 306.475 2.693 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@H]1C[C@@H]1c1cccs1 ZINC000366955371 429547413 /nfs/dbraw/zinc/54/74/13/429547413.db2.gz ZYXGWJFLLGIEGV-RBZJEDDUSA-N 2 1 306.475 2.693 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2cccs2)c2cccs2)CC1 ZINC000521333001 429547908 /nfs/dbraw/zinc/54/79/08/429547908.db2.gz WVFGUUNMLSVFCO-HNNXBMFYSA-N 2 1 321.515 2.888 20 0 DFADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624738 429559142 /nfs/dbraw/zinc/55/91/42/429559142.db2.gz IVZOEVWHIRPRMS-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624738 429559145 /nfs/dbraw/zinc/55/91/45/429559145.db2.gz IVZOEVWHIRPRMS-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ccc(-c2nnc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000429021781 429573562 /nfs/dbraw/zinc/57/35/62/429573562.db2.gz QGVHTKVWCPFYBU-GOSISDBHSA-N 2 1 312.417 2.573 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000522007206 429576442 /nfs/dbraw/zinc/57/64/42/429576442.db2.gz CUAHIDAISHKUKF-IBGZPJMESA-N 3 1 310.445 2.502 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000458160450 429589863 /nfs/dbraw/zinc/58/98/63/429589863.db2.gz GBELNRQOJJRCSN-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458160450 429589868 /nfs/dbraw/zinc/58/98/68/429589868.db2.gz GBELNRQOJJRCSN-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458160450 429589872 /nfs/dbraw/zinc/58/98/72/429589872.db2.gz GBELNRQOJJRCSN-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP Cc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367117424 429581496 /nfs/dbraw/zinc/58/14/96/429581496.db2.gz OXTBIZZWSVBDKK-IBGZPJMESA-N 2 1 301.478 2.595 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450266975 429588604 /nfs/dbraw/zinc/58/86/04/429588604.db2.gz AAJZEBDMBSSWSG-UHFFFAOYSA-N 2 1 319.497 2.632 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(CC3CC3)nn2)CC1 ZINC000450266975 429588609 /nfs/dbraw/zinc/58/86/09/429588609.db2.gz AAJZEBDMBSSWSG-UHFFFAOYSA-N 2 1 319.497 2.632 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450386770 429614844 /nfs/dbraw/zinc/61/48/44/429614844.db2.gz GBVBZRGCPMERCC-JLAWEPINSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@H]2CCC(F)(F)C2)CC1 ZINC000450392683 429616981 /nfs/dbraw/zinc/61/69/81/429616981.db2.gz OVVXJVQHGYSPAU-HOTGVXAUSA-N 2 1 315.452 2.524 20 0 DFADMP Cc1nccn1-c1ccc([C@@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000367328095 429623370 /nfs/dbraw/zinc/62/33/70/429623370.db2.gz WGTYSANAZHOCTC-OLMNPRSZSA-N 2 1 310.445 2.735 20 0 DFADMP Cc1nccn1-c1ccc([C@@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000367328095 429623374 /nfs/dbraw/zinc/62/33/74/429623374.db2.gz WGTYSANAZHOCTC-OLMNPRSZSA-N 2 1 310.445 2.735 20 0 DFADMP C[N@H+](CCN1CCC(C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000429719255 429628099 /nfs/dbraw/zinc/62/80/99/429628099.db2.gz UFPLOJDJZQLYNF-UHFFFAOYSA-N 2 1 315.505 2.926 20 0 DFADMP C[N@@H+](CCN1CCC(C[NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000429719255 429628103 /nfs/dbraw/zinc/62/81/03/429628103.db2.gz UFPLOJDJZQLYNF-UHFFFAOYSA-N 2 1 315.505 2.926 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450452244 429629208 /nfs/dbraw/zinc/62/92/08/429629208.db2.gz LUOHURXNEWLCRF-RBUKOAKNSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000450452244 429629212 /nfs/dbraw/zinc/62/92/12/429629212.db2.gz LUOHURXNEWLCRF-RBUKOAKNSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000450452244 429629215 /nfs/dbraw/zinc/62/92/15/429629215.db2.gz LUOHURXNEWLCRF-RBUKOAKNSA-N 2 1 307.526 2.913 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450456404 429631748 /nfs/dbraw/zinc/63/17/48/429631748.db2.gz SRKAJSGGDRGTBA-PMACEKPBSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000450456404 429631752 /nfs/dbraw/zinc/63/17/52/429631752.db2.gz SRKAJSGGDRGTBA-PMACEKPBSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000450456404 429631755 /nfs/dbraw/zinc/63/17/55/429631755.db2.gz SRKAJSGGDRGTBA-PMACEKPBSA-N 2 1 316.489 2.908 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450472252 429635668 /nfs/dbraw/zinc/63/56/68/429635668.db2.gz LRLLZTJWUQESPV-ZYSHUDEJSA-N 2 1 313.445 2.821 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450472252 429635672 /nfs/dbraw/zinc/63/56/72/429635672.db2.gz LRLLZTJWUQESPV-ZYSHUDEJSA-N 2 1 313.445 2.821 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CCC[N@H+]([C@H](C)CO)CC3)c2c1 ZINC000450476782 429635859 /nfs/dbraw/zinc/63/58/59/429635859.db2.gz ROUVGOIISLBKCJ-OAHLLOKOSA-N 2 1 313.445 2.690 20 0 DFADMP CCC[N@H+](CC[C@H](C)O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450556923 429647171 /nfs/dbraw/zinc/64/71/71/429647171.db2.gz HNZPUKJCGDBGSN-HNNXBMFYSA-N 2 1 320.481 2.545 20 0 DFADMP CCC[N@@H+](CC[C@H](C)O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450556923 429647175 /nfs/dbraw/zinc/64/71/75/429647175.db2.gz HNZPUKJCGDBGSN-HNNXBMFYSA-N 2 1 320.481 2.545 20 0 DFADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C[C@H](C)O1 ZINC000367183377 429593101 /nfs/dbraw/zinc/59/31/01/429593101.db2.gz CHIQXZXLTDAEIB-ZBLLQYKHSA-N 2 1 324.509 2.669 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367275284 429611347 /nfs/dbraw/zinc/61/13/47/429611347.db2.gz SYWSVOBBMOMGOM-AEFFLSMTSA-N 2 1 310.482 2.868 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000367275284 429611352 /nfs/dbraw/zinc/61/13/52/429611352.db2.gz SYWSVOBBMOMGOM-AEFFLSMTSA-N 2 1 310.482 2.868 20 0 DFADMP Cc1[nH+]c2ccccc2c(NC[C@@H]2CCC[N@H+]2CCCO)c1C ZINC000450596604 429655800 /nfs/dbraw/zinc/65/58/00/429655800.db2.gz NMHCWIPTOIVALW-INIZCTEOSA-N 2 1 313.445 2.532 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450599951 429658474 /nfs/dbraw/zinc/65/84/74/429658474.db2.gz MDMRZRBKBHHFAL-CRAIPNDOSA-N 2 1 301.434 2.678 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450599951 429658476 /nfs/dbraw/zinc/65/84/76/429658476.db2.gz MDMRZRBKBHHFAL-CRAIPNDOSA-N 2 1 301.434 2.678 20 0 DFADMP CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000356872855 276019136 /nfs/dbraw/zinc/01/91/36/276019136.db2.gz PNAPAPPLOAJKHT-MKXGPGLRSA-N 2 1 302.462 2.504 20 0 DFADMP CCc1cc(CCC[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)on1 ZINC000450586187 429653508 /nfs/dbraw/zinc/65/35/08/429653508.db2.gz BJGVUVZRIUZSAT-YOEHRIQHSA-N 2 1 302.422 2.949 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CSC[C@@H]3C)sc2C1 ZINC000367576374 429676061 /nfs/dbraw/zinc/67/60/61/429676061.db2.gz PXWFCPQBAUALDI-WCQYABFASA-N 2 1 311.520 2.751 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CSC[C@@H]3C)sc2C1 ZINC000367576374 429676066 /nfs/dbraw/zinc/67/60/66/429676066.db2.gz PXWFCPQBAUALDI-WCQYABFASA-N 2 1 311.520 2.751 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000120682010 276228983 /nfs/dbraw/zinc/22/89/83/276228983.db2.gz OOBVYWZZHLLPNP-DYVFJYSZSA-N 2 1 322.424 2.555 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000356596778 276230850 /nfs/dbraw/zinc/23/08/50/276230850.db2.gz LFBWEUQHRUXRFB-IAGOWNOFSA-N 2 1 319.493 2.744 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000356596778 276230851 /nfs/dbraw/zinc/23/08/51/276230851.db2.gz LFBWEUQHRUXRFB-IAGOWNOFSA-N 2 1 319.493 2.744 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356596778 276230854 /nfs/dbraw/zinc/23/08/54/276230854.db2.gz LFBWEUQHRUXRFB-IAGOWNOFSA-N 2 1 319.493 2.744 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2CC)CC1 ZINC000430543349 429690318 /nfs/dbraw/zinc/69/03/18/429690318.db2.gz MMJPUVSUJLLBIO-UHFFFAOYSA-N 2 1 303.450 2.509 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367606543 429685442 /nfs/dbraw/zinc/68/54/42/429685442.db2.gz KATHSVPRGHYXMV-UTRMSSBJSA-N 2 1 318.461 2.925 20 0 DFADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367623257 429687586 /nfs/dbraw/zinc/68/75/86/429687586.db2.gz VJILDOXWKVEMTE-IPMKNSEASA-N 3 1 301.478 2.711 20 0 DFADMP CN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@@H]2CCC[C@H]21 ZINC000367623257 429687590 /nfs/dbraw/zinc/68/75/90/429687590.db2.gz VJILDOXWKVEMTE-IPMKNSEASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367623257 429687594 /nfs/dbraw/zinc/68/75/94/429687594.db2.gz VJILDOXWKVEMTE-IPMKNSEASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367623257 429687596 /nfs/dbraw/zinc/68/75/96/429687596.db2.gz VJILDOXWKVEMTE-IPMKNSEASA-N 2 1 301.478 2.711 20 0 DFADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430598453 429699879 /nfs/dbraw/zinc/69/98/79/429699879.db2.gz OHAWDOCKRSSKQU-AEFFLSMTSA-N 2 1 319.493 2.647 20 0 DFADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430598453 429699885 /nfs/dbraw/zinc/69/98/85/429699885.db2.gz OHAWDOCKRSSKQU-AEFFLSMTSA-N 2 1 319.493 2.647 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000264027639 276308713 /nfs/dbraw/zinc/30/87/13/276308713.db2.gz LSHCNVCMXIFJGM-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000354105438 276328093 /nfs/dbraw/zinc/32/80/93/276328093.db2.gz AXACNAHBFQLUQG-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000163564481 276334993 /nfs/dbraw/zinc/33/49/93/276334993.db2.gz UFQPCZVQBIQAPQ-LPHOPBHVSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)cc1 ZINC000163564481 276334994 /nfs/dbraw/zinc/33/49/94/276334994.db2.gz UFQPCZVQBIQAPQ-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP C[C@@](C[NH3+])([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000430580988 429696402 /nfs/dbraw/zinc/69/64/02/429696402.db2.gz IJVOMOTUWHXSFV-INIZCTEOSA-N 2 1 320.824 2.650 20 0 DFADMP CC(C)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000367930580 429745694 /nfs/dbraw/zinc/74/56/94/429745694.db2.gz JDKBPJCEVOBHIK-YTQUADARSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000367930580 429745699 /nfs/dbraw/zinc/74/56/99/429745699.db2.gz JDKBPJCEVOBHIK-YTQUADARSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000367930580 429745702 /nfs/dbraw/zinc/74/57/02/429745702.db2.gz JDKBPJCEVOBHIK-YTQUADARSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000367930580 429745708 /nfs/dbraw/zinc/74/57/08/429745708.db2.gz JDKBPJCEVOBHIK-YTQUADARSA-N 2 1 304.478 2.846 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000130562419 276386747 /nfs/dbraw/zinc/38/67/47/276386747.db2.gz CKPFLCOXEFJQJV-ZWKOTPCHSA-N 2 1 301.478 2.768 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000526106553 429701035 /nfs/dbraw/zinc/70/10/35/429701035.db2.gz NENZJQBNCDFHME-CJNGLKHVSA-N 2 1 302.397 2.570 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2[C@H]4COC[C@H]42)C3)cc1 ZINC000367691134 429701427 /nfs/dbraw/zinc/70/14/27/429701427.db2.gz SYVBGTHGIBCEED-PIUSSYSBSA-N 2 1 312.457 2.664 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430629031 429702733 /nfs/dbraw/zinc/70/27/33/429702733.db2.gz PHKCWDWBMKSRRD-KBPBESRZSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430629031 429702736 /nfs/dbraw/zinc/70/27/36/429702736.db2.gz PHKCWDWBMKSRRD-KBPBESRZSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430629033 429702886 /nfs/dbraw/zinc/70/28/86/429702886.db2.gz PHKCWDWBMKSRRD-UONOGXRCSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430629033 429702891 /nfs/dbraw/zinc/70/28/91/429702891.db2.gz PHKCWDWBMKSRRD-UONOGXRCSA-N 2 1 323.868 2.530 20 0 DFADMP Cc1ccc2c(C)cc(NC[C@@H](O)C[NH+]3CCCCC3)[nH+]c2c1 ZINC000460951127 429703402 /nfs/dbraw/zinc/70/34/02/429703402.db2.gz UVDIHRCFJANUJI-MRXNPFEDSA-N 2 1 313.445 3.110 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430629362 429703868 /nfs/dbraw/zinc/70/38/68/429703868.db2.gz PZARQDRLPORLCQ-CYBMUJFWSA-N 2 1 309.841 2.600 20 0 DFADMP CC(C)C[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000462085389 429705262 /nfs/dbraw/zinc/70/52/62/429705262.db2.gz RCGUBOHJHKNAJT-UHFFFAOYSA-N 2 1 319.497 3.198 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000367716157 429705689 /nfs/dbraw/zinc/70/56/89/429705689.db2.gz ACYPPCZCCCOLNW-GASCZTMLSA-N 2 1 303.837 2.788 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000367716157 429705697 /nfs/dbraw/zinc/70/56/97/429705697.db2.gz ACYPPCZCCCOLNW-GASCZTMLSA-N 2 1 303.837 2.788 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](CCn3ccc4cc(Cl)ccc43)C[C@@H]2C1 ZINC000367716157 429705704 /nfs/dbraw/zinc/70/57/04/429705704.db2.gz ACYPPCZCCCOLNW-GASCZTMLSA-N 2 1 303.837 2.788 20 0 DFADMP C[C@@H]1CCCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ncn2)C1 ZINC000450821973 429706782 /nfs/dbraw/zinc/70/67/82/429706782.db2.gz AQKNXDIUWJOWKT-WZYMTQMTSA-N 2 1 315.465 2.750 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367727467 429707423 /nfs/dbraw/zinc/70/74/23/429707423.db2.gz OZJJRLYNONVGKA-BBWFWOEESA-N 2 1 303.450 2.833 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367727467 429707427 /nfs/dbraw/zinc/70/74/27/429707427.db2.gz OZJJRLYNONVGKA-BBWFWOEESA-N 2 1 303.450 2.833 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000430780771 429715721 /nfs/dbraw/zinc/71/57/21/429715721.db2.gz OSKVMNBUCYTFKT-OKZBNKHCSA-N 2 1 321.509 2.665 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000367793734 429717766 /nfs/dbraw/zinc/71/77/66/429717766.db2.gz KACHPMMOPWUVAE-OAHLLOKOSA-N 2 1 316.380 2.784 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000367793732 429718779 /nfs/dbraw/zinc/71/87/79/429718779.db2.gz KACHPMMOPWUVAE-HNNXBMFYSA-N 2 1 316.380 2.784 20 0 DFADMP CC(C)[N@H+]1CCCN(Cc2cncn2Cc2ccccc2)CC1 ZINC000527075323 429721383 /nfs/dbraw/zinc/72/13/83/429721383.db2.gz FXXKPVFLBPQNIO-UHFFFAOYSA-N 2 1 312.461 2.848 20 0 DFADMP COC[C@@H](C)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000527108711 429723613 /nfs/dbraw/zinc/72/36/13/429723613.db2.gz YFLYNEQSTPSMIH-WMZOPIPTSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@@H](C)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000527108711 429723619 /nfs/dbraw/zinc/72/36/19/429723619.db2.gz YFLYNEQSTPSMIH-WMZOPIPTSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@@H](C)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000527108711 429723622 /nfs/dbraw/zinc/72/36/22/429723622.db2.gz YFLYNEQSTPSMIH-WMZOPIPTSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@@H](C)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000527108711 429723624 /nfs/dbraw/zinc/72/36/24/429723624.db2.gz YFLYNEQSTPSMIH-WMZOPIPTSA-N 2 1 305.466 2.650 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430930655 429724891 /nfs/dbraw/zinc/72/48/91/429724891.db2.gz XYIYEAZBVRXNHN-INIZCTEOSA-N 2 1 323.440 2.963 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000430927304 429725909 /nfs/dbraw/zinc/72/59/09/429725909.db2.gz ICTCLKUFVLMCGQ-BLLLJJGKSA-N 2 1 321.852 2.505 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000430947892 429727038 /nfs/dbraw/zinc/72/70/38/429727038.db2.gz CUEDUCQTYQOVOM-UHFFFAOYSA-N 2 1 308.376 2.863 20 0 DFADMP CC(C)CC[C@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000482844705 429727540 /nfs/dbraw/zinc/72/75/40/429727540.db2.gz PSNRNRVCTXVKGB-ZCNNSNEGSA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)CC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000482844705 429727545 /nfs/dbraw/zinc/72/75/45/429727545.db2.gz PSNRNRVCTXVKGB-ZCNNSNEGSA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)CC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000482844705 429727548 /nfs/dbraw/zinc/72/75/48/429727548.db2.gz PSNRNRVCTXVKGB-ZCNNSNEGSA-N 2 1 316.489 2.847 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430959973 429729550 /nfs/dbraw/zinc/72/95/50/429729550.db2.gz FYZVVUDNSNHNMO-UONOGXRCSA-N 2 1 321.490 2.796 20 0 DFADMP C[C@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000430970876 429732043 /nfs/dbraw/zinc/73/20/43/429732043.db2.gz IWZLTKGQDCXNGX-SMDDNHRTSA-N 2 1 320.824 2.602 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431028419 429735898 /nfs/dbraw/zinc/73/58/98/429735898.db2.gz QGBDBMKDMRWNHO-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000431061670 429737081 /nfs/dbraw/zinc/73/70/81/429737081.db2.gz LTVDONKOCKOBCZ-SFHVURJKSA-N 2 1 314.433 2.817 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@](C)(c3ccccc3)C2)n1 ZINC000431061670 429737085 /nfs/dbraw/zinc/73/70/85/429737085.db2.gz LTVDONKOCKOBCZ-SFHVURJKSA-N 2 1 314.433 2.817 20 0 DFADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431077051 429739104 /nfs/dbraw/zinc/73/91/04/429739104.db2.gz AUIVBYXHLMDTQC-GXTWGEPZSA-N 2 1 300.406 2.641 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCc1cccc(F)c1 ZINC000367915244 429741602 /nfs/dbraw/zinc/74/16/02/429741602.db2.gz CIJRFNKIMULUNZ-QYZOEREBSA-N 2 1 320.452 2.942 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1OCCc2sccc21 ZINC000368144925 429798011 /nfs/dbraw/zinc/79/80/11/429798011.db2.gz XLBKOGRKWVBBJQ-LOUJCGABSA-N 2 1 306.475 2.967 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)c1 ZINC000367935015 429747931 /nfs/dbraw/zinc/74/79/31/429747931.db2.gz VMTKVKAPEPPEQU-SFHVURJKSA-N 2 1 311.429 2.816 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)c1 ZINC000367935015 429747937 /nfs/dbraw/zinc/74/79/37/429747937.db2.gz VMTKVKAPEPPEQU-SFHVURJKSA-N 2 1 311.429 2.816 20 0 DFADMP CCCCC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000486813698 429751727 /nfs/dbraw/zinc/75/17/27/429751727.db2.gz VQTITDYGNYODGO-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP Cn1cccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367958641 429752095 /nfs/dbraw/zinc/75/20/95/429752095.db2.gz FBVVSOLMXAXDBJ-OALUTQOASA-N 2 1 309.457 2.979 20 0 DFADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000367957129 429752726 /nfs/dbraw/zinc/75/27/26/429752726.db2.gz OZTSRCXPZYNDGS-INIZCTEOSA-N 2 1 320.481 2.587 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC1(C)C ZINC000486972869 429756531 /nfs/dbraw/zinc/75/65/31/429756531.db2.gz TYAQPTRHIKCHLA-QFBILLFUSA-N 2 1 315.505 2.958 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000368052782 429775641 /nfs/dbraw/zinc/77/56/41/429775641.db2.gz YSGWKXUCHGSVND-UHFFFAOYSA-N 2 1 300.450 2.861 20 0 DFADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCCc2[nH+]ccn21 ZINC000368063850 429777661 /nfs/dbraw/zinc/77/76/61/429777661.db2.gz OIPBSMHDSNMZKW-QGZVFWFLSA-N 2 1 324.428 2.995 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)CCCO1 ZINC000432351378 429817781 /nfs/dbraw/zinc/81/77/81/429817781.db2.gz LYUNUEIYCHDFAF-CQSZACIVSA-N 2 1 319.424 2.898 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000368260274 429818235 /nfs/dbraw/zinc/81/82/35/429818235.db2.gz IXIRMPQOPYOJQR-SXLOBPIMSA-N 2 1 313.489 2.502 20 0 DFADMP Cc1ccc(CCCN2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)cc1 ZINC000368265800 429819064 /nfs/dbraw/zinc/81/90/64/429819064.db2.gz UYHVRZOOZMGKGK-PMACEKPBSA-N 2 1 316.489 2.849 20 0 DFADMP Cc1ccc(CCCN2CCC[C@H]2C[N@H+]2CCC[C@H]2CO)cc1 ZINC000368265800 429819071 /nfs/dbraw/zinc/81/90/71/429819071.db2.gz UYHVRZOOZMGKGK-PMACEKPBSA-N 2 1 316.489 2.849 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]C2C3CC4CC(C3)CC2C4)CCCO1 ZINC000432418926 429821871 /nfs/dbraw/zinc/82/18/71/429821871.db2.gz XHISPGCNCWLEMA-RLHPCVIISA-N 2 1 306.494 2.902 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2C3CC4CC(C3)CC2C4)CCCO1 ZINC000432418926 429821873 /nfs/dbraw/zinc/82/18/73/429821873.db2.gz XHISPGCNCWLEMA-RLHPCVIISA-N 2 1 306.494 2.902 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCCO1 ZINC000432422204 429822177 /nfs/dbraw/zinc/82/21/77/429822177.db2.gz SKQYPIJMWJTPBK-KDOFPFPSSA-N 2 1 322.880 2.898 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCCO1 ZINC000432422204 429822180 /nfs/dbraw/zinc/82/21/80/429822180.db2.gz SKQYPIJMWJTPBK-KDOFPFPSSA-N 2 1 322.880 2.898 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415551 429822615 /nfs/dbraw/zinc/82/26/15/429822615.db2.gz NJYHZIKHMJSRNA-HOTGVXAUSA-N 2 1 318.461 2.868 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415551 429822618 /nfs/dbraw/zinc/82/26/18/429822618.db2.gz NJYHZIKHMJSRNA-HOTGVXAUSA-N 2 1 318.461 2.868 20 0 DFADMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432424732 429823687 /nfs/dbraw/zinc/82/36/87/429823687.db2.gz QTCQDYYCYGYUTK-HOTGVXAUSA-N 2 1 308.470 2.616 20 0 DFADMP CC(C)n1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432424732 429823689 /nfs/dbraw/zinc/82/36/89/429823689.db2.gz QTCQDYYCYGYUTK-HOTGVXAUSA-N 2 1 308.470 2.616 20 0 DFADMP FC1(F)Oc2cccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)c2O1 ZINC000527947828 429824354 /nfs/dbraw/zinc/82/43/54/429824354.db2.gz NYWKWGXWXYVAPQ-UHFFFAOYSA-N 2 1 324.371 2.767 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](n2cccn2)C(F)(F)F)CC1 ZINC000527941444 429824596 /nfs/dbraw/zinc/82/45/96/429824596.db2.gz ZEOOKKHQCVKJKI-CYBMUJFWSA-N 2 1 318.387 2.839 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527982092 429831573 /nfs/dbraw/zinc/83/15/73/429831573.db2.gz QLNPWSLBZAAEJN-RWSSSABPSA-N 2 1 312.457 2.666 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000528019862 429837305 /nfs/dbraw/zinc/83/73/05/429837305.db2.gz UPBGDUFBYCPOKQ-GNWGEKMJSA-N 2 1 314.473 2.790 20 0 DFADMP CC(C)[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000432826502 429843100 /nfs/dbraw/zinc/84/31/00/429843100.db2.gz ZAHZLICXHPMOSM-WOJBJXKFSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000432826502 429843104 /nfs/dbraw/zinc/84/31/04/429843104.db2.gz ZAHZLICXHPMOSM-WOJBJXKFSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000432826502 429843107 /nfs/dbraw/zinc/84/31/07/429843107.db2.gz ZAHZLICXHPMOSM-WOJBJXKFSA-N 2 1 316.489 2.991 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493889927 429846282 /nfs/dbraw/zinc/84/62/82/429846282.db2.gz ZGLSXIYIUFYNSD-SJORKVTESA-N 2 1 321.371 2.980 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C1 ZINC000368434523 429849376 /nfs/dbraw/zinc/84/93/76/429849376.db2.gz PMBLTRLSIZFBSP-AOIWGVFYSA-N 2 1 324.472 2.871 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000368492627 429858036 /nfs/dbraw/zinc/85/80/36/429858036.db2.gz CYUADWLVFJYELE-NZSAHSFTSA-N 2 1 324.509 2.672 20 0 DFADMP COC[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000368529511 429861310 /nfs/dbraw/zinc/86/13/10/429861310.db2.gz BZZILFUSDIMIJL-RTBURBONSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000368530628 429862939 /nfs/dbraw/zinc/86/29/39/429862939.db2.gz OHERSOXMCNXQFC-LPHOPBHVSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000368530628 429862942 /nfs/dbraw/zinc/86/29/42/429862942.db2.gz OHERSOXMCNXQFC-LPHOPBHVSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000494271682 429865041 /nfs/dbraw/zinc/86/50/41/429865041.db2.gz SAWPPLUMSPIYCF-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cn1 ZINC000527844511 429808894 /nfs/dbraw/zinc/80/88/94/429808894.db2.gz ZOXQHPUOTJCUDA-JFIYKMOQSA-N 2 1 301.434 2.758 20 0 DFADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1ccccc1 ZINC000368229059 429812726 /nfs/dbraw/zinc/81/27/26/429812726.db2.gz SOWNCOIQQPYMAT-YJBOKZPZSA-N 2 1 321.428 2.692 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451336588 429813883 /nfs/dbraw/zinc/81/38/83/429813883.db2.gz FBCJLVPEOFJALK-KSZLIROESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000451336588 429813885 /nfs/dbraw/zinc/81/38/85/429813885.db2.gz FBCJLVPEOFJALK-KSZLIROESA-N 2 1 305.466 2.987 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCCOc2cccc(C)c2C)CC1 ZINC000494520377 429877660 /nfs/dbraw/zinc/87/76/60/429877660.db2.gz DMBQOFCIXVATJO-UHFFFAOYSA-N 2 1 320.477 2.773 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507767 429894821 /nfs/dbraw/zinc/89/48/21/429894821.db2.gz USPNIQHDPZKGEF-ZZJWQFMZSA-N 2 1 320.452 2.940 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000528507767 429894823 /nfs/dbraw/zinc/89/48/23/429894823.db2.gz USPNIQHDPZKGEF-ZZJWQFMZSA-N 2 1 320.452 2.940 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528507767 429894824 /nfs/dbraw/zinc/89/48/24/429894824.db2.gz USPNIQHDPZKGEF-ZZJWQFMZSA-N 2 1 320.452 2.940 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528520356 429896142 /nfs/dbraw/zinc/89/61/42/429896142.db2.gz WXSFXNVSMSXAMP-RBUKOAKNSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000528520356 429896144 /nfs/dbraw/zinc/89/61/44/429896144.db2.gz WXSFXNVSMSXAMP-RBUKOAKNSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000528520356 429896146 /nfs/dbraw/zinc/89/61/46/429896146.db2.gz WXSFXNVSMSXAMP-RBUKOAKNSA-N 2 1 320.452 2.801 20 0 DFADMP CCCOc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000368844985 429898203 /nfs/dbraw/zinc/89/82/03/429898203.db2.gz KKQWPCAYHQENED-HNNXBMFYSA-N 2 1 315.417 2.785 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@@H](Oc2cccnc2C)C1 ZINC000368988806 429905475 /nfs/dbraw/zinc/90/54/75/429905475.db2.gz BUKYZNXPEQHHFI-QGZVFWFLSA-N 2 1 314.433 2.828 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2cccnc2C)C1 ZINC000368988806 429905479 /nfs/dbraw/zinc/90/54/79/429905479.db2.gz BUKYZNXPEQHHFI-QGZVFWFLSA-N 2 1 314.433 2.828 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000369055411 429909340 /nfs/dbraw/zinc/90/93/40/429909340.db2.gz OIBLGLINXDEHCJ-HZPDHXFCSA-N 2 1 320.481 2.756 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)CC1(C)C ZINC000623442321 429926304 /nfs/dbraw/zinc/92/63/04/429926304.db2.gz JYSCCGXLLPEBNU-INIZCTEOSA-N 2 1 312.461 3.109 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000573610547 429964727 /nfs/dbraw/zinc/96/47/27/429964727.db2.gz OJUAHVRSYWMKCF-SCTDSRPQSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000573610547 429964731 /nfs/dbraw/zinc/96/47/31/429964731.db2.gz OJUAHVRSYWMKCF-SCTDSRPQSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000573610547 429964734 /nfs/dbraw/zinc/96/47/34/429964734.db2.gz OJUAHVRSYWMKCF-SCTDSRPQSA-N 2 1 303.494 2.968 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)[C@H](C)O ZINC000573835862 429987254 /nfs/dbraw/zinc/98/72/54/429987254.db2.gz YPDIQYFIASDNRT-CABCVRRESA-N 2 1 302.418 2.771 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756978 429971056 /nfs/dbraw/zinc/97/10/56/429971056.db2.gz BKRDRKDDTLBEFE-UHFFFAOYSA-N 2 1 318.461 2.882 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3cccc(Cl)c3)C2)CC1 ZINC000639760410 429971914 /nfs/dbraw/zinc/97/19/14/429971914.db2.gz XDFSJVXIWDXVKU-UHFFFAOYSA-N 2 1 321.852 2.696 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759927 429972118 /nfs/dbraw/zinc/97/21/18/429972118.db2.gz NZUKEXXPYUNQOI-AWEZNQCLSA-N 2 1 319.424 2.570 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759897 429972214 /nfs/dbraw/zinc/97/22/14/429972214.db2.gz NARQXRGLQXXMNO-BRWVUGGUSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760387 429973319 /nfs/dbraw/zinc/97/33/19/429973319.db2.gz WPAKBQHJZQDVGE-INIZCTEOSA-N 2 1 315.461 2.740 20 0 DFADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000639766027 429973614 /nfs/dbraw/zinc/97/36/14/429973614.db2.gz LGAYSEAPYKQRIP-ROUUACIJSA-N 2 1 306.425 2.592 20 0 DFADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000639766027 429973617 /nfs/dbraw/zinc/97/36/17/429973617.db2.gz LGAYSEAPYKQRIP-ROUUACIJSA-N 2 1 306.425 2.592 20 0 DFADMP C[C@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000573835863 429987474 /nfs/dbraw/zinc/98/74/74/429987474.db2.gz YPDIQYFIASDNRT-GJZGRUSLSA-N 2 1 302.418 2.771 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000369383846 429935151 /nfs/dbraw/zinc/93/51/51/429935151.db2.gz OOJPVFZBJBJIGY-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc(-n3ccnc3)cc1)CC2 ZINC000369383846 429935155 /nfs/dbraw/zinc/93/51/55/429935155.db2.gz OOJPVFZBJBJIGY-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[C@@H]1C[N@H+](CCCc2cncn2C)C[C@H](c2ccsc2)O1 ZINC000573217005 429935889 /nfs/dbraw/zinc/93/58/89/429935889.db2.gz WJHUOQRJWWAMNR-CZUORRHYSA-N 2 1 305.447 2.876 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000369400354 429936264 /nfs/dbraw/zinc/93/62/64/429936264.db2.gz XEDWLUWSDNCBKN-QGZVFWFLSA-N 2 1 321.896 2.940 20 0 DFADMP C[C@H]1C[N@H+](CCCc2cncn2C)C[C@@H](c2ccsc2)O1 ZINC000573217003 429937390 /nfs/dbraw/zinc/93/73/90/429937390.db2.gz WJHUOQRJWWAMNR-BBRMVZONSA-N 2 1 305.447 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684187 429947211 /nfs/dbraw/zinc/94/72/11/429947211.db2.gz SWAKTKJQVGJLOS-GOSISDBHSA-N 2 1 303.450 2.535 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]21 ZINC000574277294 430028682 /nfs/dbraw/zinc/02/86/82/430028682.db2.gz OHKRUMVPEJNLOB-OKZBNKHCSA-N 2 1 308.429 2.703 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC[C@@H](C)O)C2)s1 ZINC000574330393 430030947 /nfs/dbraw/zinc/03/09/47/430030947.db2.gz UDNOKAHOGKJFAV-ZBFHGGJFSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC[C@@H](C)O)C2)s1 ZINC000574330393 430030950 /nfs/dbraw/zinc/03/09/50/430030950.db2.gz UDNOKAHOGKJFAV-ZBFHGGJFSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC[C@@H](C)O)C2)s1 ZINC000574330393 430030953 /nfs/dbraw/zinc/03/09/53/430030953.db2.gz UDNOKAHOGKJFAV-ZBFHGGJFSA-N 2 1 310.507 2.971 20 0 DFADMP C[NH+](C)CCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268994422 276783519 /nfs/dbraw/zinc/78/35/19/276783519.db2.gz KFJQEZMTECXRNI-UHFFFAOYSA-N 3 1 321.484 2.764 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000574410896 430040699 /nfs/dbraw/zinc/04/06/99/430040699.db2.gz XQPNYLBGGUWMAH-DGCLKSJQSA-N 2 1 302.340 2.896 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC000639983830 430044428 /nfs/dbraw/zinc/04/44/28/430044428.db2.gz MOTKOUMFIQVJRA-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC000639985559 430044910 /nfs/dbraw/zinc/04/49/10/430044910.db2.gz AAYVSUKRODHNLX-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP CC1(C)CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000573935420 429995900 /nfs/dbraw/zinc/99/59/00/429995900.db2.gz FNIUHEKYKTULRO-HOTGVXAUSA-N 2 1 309.498 2.522 20 0 DFADMP CO[C@@H]1C[N@H+](CCCCCn2c(C)nc3ccccc32)CCO1 ZINC000639836528 429998456 /nfs/dbraw/zinc/99/84/56/429998456.db2.gz HYSIVGXSUAPELZ-SFHVURJKSA-N 2 1 317.433 2.820 20 0 DFADMP CO[C@@H]1C[N@@H+](CCCCCn2c(C)nc3ccccc32)CCO1 ZINC000639836528 429998461 /nfs/dbraw/zinc/99/84/61/429998461.db2.gz HYSIVGXSUAPELZ-SFHVURJKSA-N 2 1 317.433 2.820 20 0 DFADMP CN(c1cc[nH+]c2ccc(Br)cc21)[C@@H]1CC[NH2+]C1 ZINC000574061904 430006756 /nfs/dbraw/zinc/00/67/56/430006756.db2.gz SNNZWHHKOCBKMD-LLVKDONJSA-N 2 1 306.207 2.795 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919298 430022477 /nfs/dbraw/zinc/02/24/77/430022477.db2.gz QFYGAPPCXPLMGL-HUUCEWRRSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919298 430022480 /nfs/dbraw/zinc/02/24/80/430022480.db2.gz QFYGAPPCXPLMGL-HUUCEWRRSA-N 2 1 316.367 2.813 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529527435 430022606 /nfs/dbraw/zinc/02/26/06/430022606.db2.gz CMIIQWSSAKVIFR-OAHLLOKOSA-N 2 1 315.461 2.693 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529537130 430024052 /nfs/dbraw/zinc/02/40/52/430024052.db2.gz PMZVVCKUMTVQKS-NZSAHSFTSA-N 2 1 313.445 2.851 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000634732550 430093906 /nfs/dbraw/zinc/09/39/06/430093906.db2.gz IWYCQLUXGMRCQR-JSGCOSHPSA-N 2 1 309.479 2.862 20 0 DFADMP COc1cccc([C@@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)OC)c1 ZINC000530212035 430103686 /nfs/dbraw/zinc/10/36/86/430103686.db2.gz QALQCBHVXCIGQO-SJKOYZFVSA-N 2 1 301.390 2.541 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530221385 430105497 /nfs/dbraw/zinc/10/54/97/430105497.db2.gz PYFLITYSXUTGNR-NEWSRXKRSA-N 2 1 313.489 2.771 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000530220946 430105587 /nfs/dbraw/zinc/10/55/87/430105587.db2.gz KVKFFXNCSDPGOZ-JFIYKMOQSA-N 2 1 306.425 2.835 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530225383 430105690 /nfs/dbraw/zinc/10/56/90/430105690.db2.gz YYNVPPSRIYROJB-HTQZYQBOSA-N 2 1 307.182 2.943 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000530221071 430106111 /nfs/dbraw/zinc/10/61/11/430106111.db2.gz CEKRZFYPQNGJBE-KBAYOESNSA-N 2 1 306.425 2.977 20 0 DFADMP CC(C)[C@H](CO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000562060115 430106461 /nfs/dbraw/zinc/10/64/61/430106461.db2.gz UODMWBSBMNIDRU-KRWDZBQOSA-N 2 1 322.468 2.687 20 0 DFADMP C[C@H](C(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000529720877 430062090 /nfs/dbraw/zinc/06/20/90/430062090.db2.gz SMLBUEGSDZAOQZ-KYHPRHEASA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000529720877 430062094 /nfs/dbraw/zinc/06/20/94/430062094.db2.gz SMLBUEGSDZAOQZ-KYHPRHEASA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000529720877 430062099 /nfs/dbraw/zinc/06/20/99/430062099.db2.gz SMLBUEGSDZAOQZ-KYHPRHEASA-N 2 1 321.509 2.771 20 0 DFADMP CC1(C)C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000634678377 430074070 /nfs/dbraw/zinc/07/40/70/430074070.db2.gz QVHBJIPCZUZUAY-SFHVURJKSA-N 2 1 318.461 2.566 20 0 DFADMP O[C@]1(C[NH2+]C[C@H]2Cc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000634699185 430082735 /nfs/dbraw/zinc/08/27/35/430082735.db2.gz GJFCCEQOGIFBEI-CTNGQTDRSA-N 2 1 322.452 2.553 20 0 DFADMP O[C@]1(C[NH2+]C[C@H]2Cc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699185 430082739 /nfs/dbraw/zinc/08/27/39/430082739.db2.gz GJFCCEQOGIFBEI-CTNGQTDRSA-N 2 1 322.452 2.553 20 0 DFADMP CCC[C@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637873329 430155204 /nfs/dbraw/zinc/15/52/04/430155204.db2.gz LTOJIZFKMMAQNY-INIZCTEOSA-N 2 1 317.477 2.675 20 0 DFADMP Cc1csc([C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000580960504 430166653 /nfs/dbraw/zinc/16/66/53/430166653.db2.gz PGGPFOAWPAGXEF-AWEZNQCLSA-N 2 1 304.463 2.997 20 0 DFADMP Cc1csc([C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000580960504 430166656 /nfs/dbraw/zinc/16/66/56/430166656.db2.gz PGGPFOAWPAGXEF-AWEZNQCLSA-N 2 1 304.463 2.997 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000581019692 430170232 /nfs/dbraw/zinc/17/02/32/430170232.db2.gz MLMOCFZKAKOHRJ-QAPCUYQASA-N 2 1 311.429 2.972 20 0 DFADMP CCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@@H]1CCc2ccccc2C1 ZINC000562442570 430132576 /nfs/dbraw/zinc/13/25/76/430132576.db2.gz UKSVWRFINJIJSZ-RTBURBONSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@@H]1CCc2ccccc2C1 ZINC000562442570 430132579 /nfs/dbraw/zinc/13/25/79/430132579.db2.gz UKSVWRFINJIJSZ-RTBURBONSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@@H]1CCc2ccccc2C1 ZINC000562442570 430132584 /nfs/dbraw/zinc/13/25/84/430132584.db2.gz UKSVWRFINJIJSZ-RTBURBONSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@@H]1CCc2ccccc2C1 ZINC000562442570 430132586 /nfs/dbraw/zinc/13/25/86/430132586.db2.gz UKSVWRFINJIJSZ-RTBURBONSA-N 2 1 304.478 2.569 20 0 DFADMP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000580550880 430134273 /nfs/dbraw/zinc/13/42/73/430134273.db2.gz BJDFAOXRPMBLAZ-NTDBWNAOSA-N 2 1 303.494 2.964 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3[nH]ccc3c2)CCCO1 ZINC000580657850 430141893 /nfs/dbraw/zinc/14/18/93/430141893.db2.gz AHBXGJFEVHWITC-OAHLLOKOSA-N 2 1 301.434 2.758 20 0 DFADMP Cc1cnc2cc(C(=O)NCCC[N@@H+]3CCCC[C@H]3C)ccn12 ZINC000563370067 430182876 /nfs/dbraw/zinc/18/28/76/430182876.db2.gz OWWXNBRATCEMQP-CQSZACIVSA-N 2 1 314.433 2.637 20 0 DFADMP Brc1cccc(C2(C[NH2+]CC34CC(C3)C[NH2+]4)CC2)c1 ZINC000634996191 430186888 /nfs/dbraw/zinc/18/68/88/430186888.db2.gz CELCFMVETHKGGJ-UHFFFAOYSA-N 2 1 321.262 2.822 20 0 DFADMP C[C@]1(C[NH2+]Cc2cccc(-c3ccc(N)cc3)n2)CCC[NH2+]C1 ZINC000634995493 430187009 /nfs/dbraw/zinc/18/70/09/430187009.db2.gz GWCHXUJAVWARGP-IBGZPJMESA-N 2 1 310.445 2.810 20 0 DFADMP C[N@@H+](Cc1cccc(-c2ccc(N)cc2)n1)[C@H]1CCC[NH2+]CC1 ZINC000634994149 430187266 /nfs/dbraw/zinc/18/72/66/430187266.db2.gz SFSBXHZFEYSLCG-SFHVURJKSA-N 2 1 310.445 2.905 20 0 DFADMP C[N@@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3Br)CC[C@H]21 ZINC000229267856 277070290 /nfs/dbraw/zinc/07/02/90/277070290.db2.gz IXSLEMNKLFLOCN-DGCLKSJQSA-N 2 1 310.239 2.765 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(c3cc[nH+]cc3Br)CC[C@H]21 ZINC000229267856 277070292 /nfs/dbraw/zinc/07/02/92/277070292.db2.gz IXSLEMNKLFLOCN-DGCLKSJQSA-N 2 1 310.239 2.765 20 0 DFADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]cc3Br)CC[C@@H]21 ZINC000164080130 277084789 /nfs/dbraw/zinc/08/47/89/277084789.db2.gz IXSLEMNKLFLOCN-AAEUAGOBSA-N 2 1 310.239 2.765 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]cc3Br)CC[C@@H]21 ZINC000164080130 277084791 /nfs/dbraw/zinc/08/47/91/277084791.db2.gz IXSLEMNKLFLOCN-AAEUAGOBSA-N 2 1 310.239 2.765 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@H]1C[NH3+] ZINC000634996280 430187980 /nfs/dbraw/zinc/18/79/80/430187980.db2.gz FONCQSQBZPZKMH-GDBMZVCRSA-N 2 1 310.445 2.748 20 0 DFADMP OCC[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000634997534 430188911 /nfs/dbraw/zinc/18/89/11/430188911.db2.gz NNCJTJMQOJFDLM-SWLSCSKDSA-N 2 1 300.805 2.634 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1C[NH3+] ZINC000634998617 430189009 /nfs/dbraw/zinc/18/90/09/430189009.db2.gz IMHRKBKFJCFKKR-WBVHZDCISA-N 2 1 311.429 2.687 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000235 430189265 /nfs/dbraw/zinc/18/92/65/430189265.db2.gz JYAGHONMXHIHEG-GDBMZVCRSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000634998769 430190134 /nfs/dbraw/zinc/19/01/34/430190134.db2.gz KPMPGXSBLMEVQA-WBVHZDCISA-N 2 1 310.445 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000635003830 430192208 /nfs/dbraw/zinc/19/22/08/430192208.db2.gz LYSPIOKNCOGVFH-KVPLUYHFSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000635003830 430192211 /nfs/dbraw/zinc/19/22/11/430192211.db2.gz LYSPIOKNCOGVFH-KVPLUYHFSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH2+]CC[C@@H]1C ZINC000635003830 430192216 /nfs/dbraw/zinc/19/22/16/430192216.db2.gz LYSPIOKNCOGVFH-KVPLUYHFSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@H]1CCCCN1C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531425 430192835 /nfs/dbraw/zinc/19/28/35/430192835.db2.gz IMQSTNGGBUCIIS-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247066 277159286 /nfs/dbraw/zinc/15/92/86/277159286.db2.gz HKNIYCHDYMSUSB-ZWKOTPCHSA-N 2 1 306.425 2.713 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247066 277159287 /nfs/dbraw/zinc/15/92/87/277159287.db2.gz HKNIYCHDYMSUSB-ZWKOTPCHSA-N 2 1 306.425 2.713 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572583 277183027 /nfs/dbraw/zinc/18/30/27/277183027.db2.gz TYLIZTDYLGBNII-QAPCUYQASA-N 2 1 311.429 2.857 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572583 277183028 /nfs/dbraw/zinc/18/30/28/277183028.db2.gz TYLIZTDYLGBNII-QAPCUYQASA-N 2 1 311.429 2.857 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572583 277183029 /nfs/dbraw/zinc/18/30/29/277183029.db2.gz TYLIZTDYLGBNII-QAPCUYQASA-N 2 1 311.429 2.857 20 0 DFADMP C[C@@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000635014510 430197289 /nfs/dbraw/zinc/19/72/89/430197289.db2.gz WJVFICHVQTXUSG-DGCLKSJQSA-N 2 1 305.809 2.574 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]CCn2ccc(C(F)(F)F)n2)c2ccccc21 ZINC000635013457 430197722 /nfs/dbraw/zinc/19/77/22/430197722.db2.gz FGQDNRPIORHZCY-OLZOCXBDSA-N 2 1 310.323 2.636 20 0 DFADMP CNC(=O)C[C@@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000360920967 277232050 /nfs/dbraw/zinc/23/20/50/277232050.db2.gz BVGPUPAYUZGCJB-QGZVFWFLSA-N 2 1 317.477 2.716 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC000638028542 430211618 /nfs/dbraw/zinc/21/16/18/430211618.db2.gz GPJKWUPJSOOIQY-QGZVFWFLSA-N 2 1 318.461 2.965 20 0 DFADMP Oc1cccnc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581396688 430203799 /nfs/dbraw/zinc/20/37/99/430203799.db2.gz POWXRUSWMWZSJS-HXUWFJFHSA-N 2 1 323.440 2.885 20 0 DFADMP Cc1cnc(C)nc1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000565220944 430205728 /nfs/dbraw/zinc/20/57/28/430205728.db2.gz HNQXMZXIYQVENP-OAHLLOKOSA-N 2 1 316.474 3.479 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000565349438 430207238 /nfs/dbraw/zinc/20/72/38/430207238.db2.gz WJXBFJOYEFVQLU-UHFFFAOYSA-N 2 1 301.434 2.752 20 0 DFADMP CN(C)c1cc(NC(=O)CC[N@H+](C)C2CCCCC2)cc[nH+]1 ZINC000581582411 430221722 /nfs/dbraw/zinc/22/17/22/430221722.db2.gz YHMFLDNBEOMPSH-UHFFFAOYSA-N 2 1 304.438 2.741 20 0 DFADMP CN(C)c1cc(NC(=O)CC[N@@H+](C)C2CCCCC2)cc[nH+]1 ZINC000581582411 430221728 /nfs/dbraw/zinc/22/17/28/430221728.db2.gz YHMFLDNBEOMPSH-UHFFFAOYSA-N 2 1 304.438 2.741 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000638063371 430224236 /nfs/dbraw/zinc/22/42/36/430224236.db2.gz MFEUPTFGUXLJOJ-HZPDHXFCSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000355152308 277390498 /nfs/dbraw/zinc/39/04/98/277390498.db2.gz RLZQDLKDTASJCJ-ROUUACIJSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000355152308 277390500 /nfs/dbraw/zinc/39/05/00/277390500.db2.gz RLZQDLKDTASJCJ-ROUUACIJSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000355152308 277390501 /nfs/dbraw/zinc/39/05/01/277390501.db2.gz RLZQDLKDTASJCJ-ROUUACIJSA-N 2 1 323.525 2.735 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000565520460 430214958 /nfs/dbraw/zinc/21/49/58/430214958.db2.gz XDPQQDLVFCOBIV-RHQZKXFESA-N 2 1 300.446 2.949 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)C[C@H]1COc2ccccc2O1 ZINC000565488141 430215297 /nfs/dbraw/zinc/21/52/97/430215297.db2.gz ABARYBBAIAINOK-INIZCTEOSA-N 2 1 315.417 2.515 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)C[C@H]1COc2ccccc2O1 ZINC000565488141 430215302 /nfs/dbraw/zinc/21/53/02/430215302.db2.gz ABARYBBAIAINOK-INIZCTEOSA-N 2 1 315.417 2.515 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2ccccc2OCCCCO)CC[N@H+]1C ZINC000638118323 430241959 /nfs/dbraw/zinc/24/19/59/430241959.db2.gz XLCYVQULJSKMAW-WMZOPIPTSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccccc2OCCCCO)CCN1C ZINC000638118323 430241961 /nfs/dbraw/zinc/24/19/61/430241961.db2.gz XLCYVQULJSKMAW-WMZOPIPTSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccccc2OCCCCO)CCN1C ZINC000638118323 430241965 /nfs/dbraw/zinc/24/19/65/430241965.db2.gz XLCYVQULJSKMAW-WMZOPIPTSA-N 2 1 320.477 2.752 20 0 DFADMP Cc1scc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000638138207 430248239 /nfs/dbraw/zinc/24/82/39/430248239.db2.gz XTRCUQUAZQPOFX-RDTXWAMCSA-N 2 1 321.534 2.823 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc(C)c1OC(F)F ZINC000566230292 430249592 /nfs/dbraw/zinc/24/95/92/430249592.db2.gz ZSBVZFQEVCPNNI-LSDHHAIUSA-N 2 1 310.388 2.946 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000566230055 430251071 /nfs/dbraw/zinc/25/10/71/430251071.db2.gz CTIWSEJMOCWMRS-NXEZZACHSA-N 2 1 314.355 2.808 20 0 DFADMP CO[C@@]1(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCOC1 ZINC000638154789 430254441 /nfs/dbraw/zinc/25/44/41/430254441.db2.gz UWHYVIUUBGKBKP-IEBWSBKVSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635324255 430254641 /nfs/dbraw/zinc/25/46/41/430254641.db2.gz GFBIGZRZHPIVAW-MRXNPFEDSA-N 2 1 311.514 2.593 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635324255 430254646 /nfs/dbraw/zinc/25/46/46/430254646.db2.gz GFBIGZRZHPIVAW-MRXNPFEDSA-N 2 1 311.514 2.593 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635324255 430254650 /nfs/dbraw/zinc/25/46/50/430254650.db2.gz GFBIGZRZHPIVAW-MRXNPFEDSA-N 2 1 311.514 2.593 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CC[NH+]1C1CCCC1 ZINC000635323716 430254845 /nfs/dbraw/zinc/25/48/45/430254845.db2.gz AVQBCCSJEIJFOC-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635323716 430254846 /nfs/dbraw/zinc/25/48/46/430254846.db2.gz AVQBCCSJEIJFOC-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635323716 430254850 /nfs/dbraw/zinc/25/48/50/430254850.db2.gz AVQBCCSJEIJFOC-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000635326313 430255527 /nfs/dbraw/zinc/25/55/27/430255527.db2.gz WRZFVUSZMBJRTP-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000635326313 430255532 /nfs/dbraw/zinc/25/55/32/430255532.db2.gz WRZFVUSZMBJRTP-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000566408011 430257072 /nfs/dbraw/zinc/25/70/72/430257072.db2.gz XJVQUFKAJYJGJE-GOEBONIOSA-N 2 1 302.466 2.516 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000566408011 430257076 /nfs/dbraw/zinc/25/70/76/430257076.db2.gz XJVQUFKAJYJGJE-GOEBONIOSA-N 2 1 302.466 2.516 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000581999744 430257262 /nfs/dbraw/zinc/25/72/62/430257262.db2.gz FVPPPYCRAPPVMX-BRWVUGGUSA-N 2 1 309.498 2.665 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000638173281 430258813 /nfs/dbraw/zinc/25/88/13/430258813.db2.gz VFJPKOAUELXITG-CJNGLKHVSA-N 2 1 300.406 2.678 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@H](C)C(C)C)CC2)CC1 ZINC000566432986 430260541 /nfs/dbraw/zinc/26/05/41/430260541.db2.gz MAXHEOITNCBDRT-MRXNPFEDSA-N 2 1 323.525 2.686 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176456 430261836 /nfs/dbraw/zinc/26/18/36/430261836.db2.gz DTKQPCGIDTUCIA-NSHGMRRFSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176456 430261838 /nfs/dbraw/zinc/26/18/38/430261838.db2.gz DTKQPCGIDTUCIA-NSHGMRRFSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176456 430261842 /nfs/dbraw/zinc/26/18/42/430261842.db2.gz DTKQPCGIDTUCIA-NSHGMRRFSA-N 2 1 313.489 2.929 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000566482475 430265909 /nfs/dbraw/zinc/26/59/09/430265909.db2.gz NWGLIAREMNIDIB-GUDVDZBRSA-N 2 1 301.478 2.757 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000566482475 430265911 /nfs/dbraw/zinc/26/59/11/430265911.db2.gz NWGLIAREMNIDIB-GUDVDZBRSA-N 2 1 301.478 2.757 20 0 DFADMP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000635404883 430269390 /nfs/dbraw/zinc/26/93/90/430269390.db2.gz JZYINQZVQYJOLG-JFIYKMOQSA-N 2 1 317.477 2.621 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000635410752 430272120 /nfs/dbraw/zinc/27/21/20/430272120.db2.gz MANJFCFTAYFPMC-HNNXBMFYSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000635410752 430272123 /nfs/dbraw/zinc/27/21/23/430272123.db2.gz MANJFCFTAYFPMC-HNNXBMFYSA-N 2 1 320.481 2.633 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000640878403 430275224 /nfs/dbraw/zinc/27/52/24/430275224.db2.gz AGSFXOQVYZLTFQ-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP CC[NH+](CC)CC1CCN(C(=O)Cn2cc[nH+]c2C(C)C)CC1 ZINC000635448599 430281130 /nfs/dbraw/zinc/28/11/30/430281130.db2.gz VUQBMGOWTOUERG-UHFFFAOYSA-N 2 1 320.481 2.587 20 0 DFADMP OC1(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000565712913 430225587 /nfs/dbraw/zinc/22/55/87/430225587.db2.gz WLRUAMRQGNDXRI-OAHLLOKOSA-N 2 1 308.491 2.855 20 0 DFADMP OC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000565712913 430225590 /nfs/dbraw/zinc/22/55/90/430225590.db2.gz WLRUAMRQGNDXRI-OAHLLOKOSA-N 2 1 308.491 2.855 20 0 DFADMP Cc1cc(C[NH3+])oc1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638067670 430226376 /nfs/dbraw/zinc/22/63/76/430226376.db2.gz SRDUGYSHUQDTKN-OKILXGFUSA-N 2 1 321.465 2.535 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)CC2 ZINC000565829461 430229714 /nfs/dbraw/zinc/22/97/14/430229714.db2.gz RFXSZDQZVKJXFJ-IEBWSBKVSA-N 2 1 302.462 2.842 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000565829461 430229715 /nfs/dbraw/zinc/22/97/15/430229715.db2.gz RFXSZDQZVKJXFJ-IEBWSBKVSA-N 2 1 302.462 2.842 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000542881240 430230196 /nfs/dbraw/zinc/23/01/96/430230196.db2.gz MKAMYYLMPYLMLG-AWEZNQCLSA-N 2 1 313.323 2.534 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC000581707563 430233927 /nfs/dbraw/zinc/23/39/27/430233927.db2.gz YQQZRSCKKXZXFZ-LJQANCHMSA-N 2 1 305.510 2.977 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582367787 430293690 /nfs/dbraw/zinc/29/36/90/430293690.db2.gz DOVZKLOUJBMDNC-YJBOKZPZSA-N 2 1 308.441 2.708 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582367787 430293695 /nfs/dbraw/zinc/29/36/95/430293695.db2.gz DOVZKLOUJBMDNC-YJBOKZPZSA-N 2 1 308.441 2.708 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000638305439 430299270 /nfs/dbraw/zinc/29/92/70/430299270.db2.gz XLKHNHNHIZADCL-RHSMWYFYSA-N 2 1 306.475 2.502 20 0 DFADMP CC(C)[NH2+]CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000582481433 430303629 /nfs/dbraw/zinc/30/36/29/430303629.db2.gz CBLHBFXOKXZKIN-MJGOQNOKSA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000582481433 430303633 /nfs/dbraw/zinc/30/36/33/430303633.db2.gz CBLHBFXOKXZKIN-MJGOQNOKSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000582481433 430303637 /nfs/dbraw/zinc/30/36/37/430303637.db2.gz CBLHBFXOKXZKIN-MJGOQNOKSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(Cl)s2)CC1 ZINC000638320997 430303741 /nfs/dbraw/zinc/30/37/41/430303741.db2.gz HTASMHNLURWFKJ-UHFFFAOYSA-N 2 1 302.871 2.726 20 0 DFADMP CO[C@](C)(C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000638334321 430308738 /nfs/dbraw/zinc/30/87/38/430308738.db2.gz AXIKUORYLQFPNX-LJQANCHMSA-N 2 1 302.462 2.840 20 0 DFADMP CO[C@](C)(C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000638334321 430308740 /nfs/dbraw/zinc/30/87/40/430308740.db2.gz AXIKUORYLQFPNX-LJQANCHMSA-N 2 1 302.462 2.840 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)C1CCCC1 ZINC000568103715 430319218 /nfs/dbraw/zinc/31/92/18/430319218.db2.gz IKYJZNDJAKTMMF-IBGZPJMESA-N 2 1 304.478 2.786 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccccc1)C1CCCC1 ZINC000568103715 430319221 /nfs/dbraw/zinc/31/92/21/430319221.db2.gz IKYJZNDJAKTMMF-IBGZPJMESA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000568103715 430319225 /nfs/dbraw/zinc/31/92/25/430319225.db2.gz IKYJZNDJAKTMMF-IBGZPJMESA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000568103715 430319228 /nfs/dbraw/zinc/31/92/28/430319228.db2.gz IKYJZNDJAKTMMF-IBGZPJMESA-N 2 1 304.478 2.786 20 0 DFADMP C[C@@H](c1nccc(N)n1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000568164847 430321581 /nfs/dbraw/zinc/32/15/81/430321581.db2.gz BQHHOOCMYZPSEL-HNNXBMFYSA-N 2 1 317.481 2.708 20 0 DFADMP CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@@H](O)C[N@H+](C)CC)o1 ZINC000568164078 430322389 /nfs/dbraw/zinc/32/23/89/430322389.db2.gz IMQYYUAJBUCKFR-ZOBUZTSGSA-N 2 1 308.466 2.928 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(C3CC3)no2)cc1 ZINC000638382516 430325740 /nfs/dbraw/zinc/32/57/40/430325740.db2.gz WPDVQYCRDIDFND-UHFFFAOYSA-N 2 1 315.417 2.782 20 0 DFADMP c1nc2c([nH]1)CC[C@H]([NH2+]Cc1conc1Cc1ccccc1)C2 ZINC000582799179 430336384 /nfs/dbraw/zinc/33/63/84/430336384.db2.gz QFVOSSJOWUKVLI-HNNXBMFYSA-N 2 1 308.385 2.636 20 0 DFADMP CO[C@@H](C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000638434118 430340717 /nfs/dbraw/zinc/34/07/17/430340717.db2.gz HSYFANSKPFAYOF-OALUTQOASA-N 2 1 320.477 2.668 20 0 DFADMP COC[C@@H](CC(C)C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361930546 277563403 /nfs/dbraw/zinc/56/34/03/277563403.db2.gz QNVDCUOFVCAYMK-QGZVFWFLSA-N 2 1 320.481 2.713 20 0 DFADMP CCOc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638447603 430347234 /nfs/dbraw/zinc/34/72/34/430347234.db2.gz GZIJBRRZKCHOMG-HNNXBMFYSA-N 2 1 320.477 2.971 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000569017856 430415294 /nfs/dbraw/zinc/41/52/94/430415294.db2.gz WFLDEZVYWFUALF-OAHLLOKOSA-N 2 1 315.461 2.871 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2)C2CCCCC2)C1 ZINC000546573897 430355083 /nfs/dbraw/zinc/35/50/83/430355083.db2.gz JTVUIBRBCCUZMD-WOJBJXKFSA-N 2 1 316.489 2.834 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2)C2CCCCC2)C1 ZINC000546573897 430355086 /nfs/dbraw/zinc/35/50/86/430355086.db2.gz JTVUIBRBCCUZMD-WOJBJXKFSA-N 2 1 316.489 2.834 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]CC3([NH3+])CCCCC3)s2)cn1 ZINC000583032399 430357898 /nfs/dbraw/zinc/35/78/98/430357898.db2.gz MCBIOXMQDSHVRV-UHFFFAOYSA-N 2 1 304.463 2.900 20 0 DFADMP Cc1cc(C)c(Cn2cc(C[C@H]([NH3+])c3ccccc3)nn2)c(C)[nH+]1 ZINC000641187505 430359484 /nfs/dbraw/zinc/35/94/84/430359484.db2.gz MZHHXYTVGLSJGZ-IBGZPJMESA-N 2 1 321.428 2.889 20 0 DFADMP Cc1cc(C)c(Cn2cc(C[C@@H]([NH3+])c3ccccc3)nn2)c(C)[nH+]1 ZINC000641187506 430359514 /nfs/dbraw/zinc/35/95/14/430359514.db2.gz MZHHXYTVGLSJGZ-LJQANCHMSA-N 2 1 321.428 2.889 20 0 DFADMP CO[C@@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000638523307 430365940 /nfs/dbraw/zinc/36/59/40/430365940.db2.gz GJKKXMUFRPAEPB-KRWDZBQOSA-N 2 1 321.465 2.518 20 0 DFADMP CCC[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521307 430367119 /nfs/dbraw/zinc/36/71/19/430367119.db2.gz GKIJCECOKDENHP-OALUTQOASA-N 2 1 304.478 2.956 20 0 DFADMP CCC[C@@H]([NH2+]C1CCN(CC(C)(C)O)CC1)c1ccccn1 ZINC000638536147 430369796 /nfs/dbraw/zinc/36/97/96/430369796.db2.gz XMIIEEFIRMQBGU-QGZVFWFLSA-N 2 1 305.466 2.748 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000568617993 430376659 /nfs/dbraw/zinc/37/66/59/430376659.db2.gz KLEDQRUPBVQDLI-RVKKMQEKSA-N 2 1 303.450 2.629 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc(OC)ns2)c1 ZINC000638564002 430376830 /nfs/dbraw/zinc/37/68/30/430376830.db2.gz UTDPDFYYXQVRDE-UHFFFAOYSA-N 2 1 305.447 2.893 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638594024 430382845 /nfs/dbraw/zinc/38/28/45/430382845.db2.gz BYJPTUIXPVTZSB-INIZCTEOSA-N 2 1 306.498 2.843 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCCN1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000583330409 430386366 /nfs/dbraw/zinc/38/63/66/430386366.db2.gz YQIFIHUJFCADJW-AOIWGVFYSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCCN1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000583330409 430386373 /nfs/dbraw/zinc/38/63/73/430386373.db2.gz YQIFIHUJFCADJW-AOIWGVFYSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641353443 430387476 /nfs/dbraw/zinc/38/74/76/430387476.db2.gz GTSNYNBOHMQQLY-AWEZNQCLSA-N 2 1 305.466 2.661 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641353443 430387481 /nfs/dbraw/zinc/38/74/81/430387481.db2.gz GTSNYNBOHMQQLY-AWEZNQCLSA-N 2 1 305.466 2.661 20 0 DFADMP CCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568761789 430390207 /nfs/dbraw/zinc/39/02/07/430390207.db2.gz IMKWWMXXXJGOBR-CVEARBPZSA-N 2 1 312.461 2.878 20 0 DFADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000568766800 430392380 /nfs/dbraw/zinc/39/23/80/430392380.db2.gz MVNPIRLRJVEFHF-WBVHZDCISA-N 2 1 317.477 2.513 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000638621320 430392422 /nfs/dbraw/zinc/39/24/22/430392422.db2.gz WEMUCGAJICFWRF-FXAWDEMLSA-N 2 1 316.489 2.618 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638676622 430406921 /nfs/dbraw/zinc/40/69/21/430406921.db2.gz OGCIHTISIIXCIW-GFIVTLFCSA-N 2 1 302.462 2.961 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638676622 430406925 /nfs/dbraw/zinc/40/69/25/430406925.db2.gz OGCIHTISIIXCIW-GFIVTLFCSA-N 2 1 302.462 2.961 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638686139 430407275 /nfs/dbraw/zinc/40/72/75/430407275.db2.gz IBJDCMYAUVEUMJ-WPVAHCMFSA-N 2 1 314.473 2.505 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638686139 430407279 /nfs/dbraw/zinc/40/72/79/430407279.db2.gz IBJDCMYAUVEUMJ-WPVAHCMFSA-N 2 1 314.473 2.505 20 0 DFADMP C[C@@H](O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638796842 430436997 /nfs/dbraw/zinc/43/69/97/430436997.db2.gz MSNOCJZTECTOEX-VQIMIIECSA-N 2 1 304.478 2.895 20 0 DFADMP C[NH+](C)CCC[C@@H]1CN(c2cc(C(C)(C)C)cc[nH+]2)CCO1 ZINC000641672161 430438824 /nfs/dbraw/zinc/43/88/24/430438824.db2.gz PEQOGCAQFILXHO-MRXNPFEDSA-N 2 1 305.466 2.926 20 0 DFADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000548061034 430442837 /nfs/dbraw/zinc/44/28/37/430442837.db2.gz PFVSOGDKBFHUOX-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000548061034 430442840 /nfs/dbraw/zinc/44/28/40/430442840.db2.gz PFVSOGDKBFHUOX-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000548061034 430442843 /nfs/dbraw/zinc/44/28/43/430442843.db2.gz PFVSOGDKBFHUOX-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000569401387 430450302 /nfs/dbraw/zinc/45/03/02/430450302.db2.gz PRRJLASIUWTYQA-CABCVRRESA-N 2 1 309.498 2.676 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850719 430454881 /nfs/dbraw/zinc/45/48/81/430454881.db2.gz GTEAKSLSFPBNSL-XYJFISCASA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000638850702 430455254 /nfs/dbraw/zinc/45/52/54/430455254.db2.gz GTEAKSLSFPBNSL-RYRKJORJSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[C@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000569473329 430456652 /nfs/dbraw/zinc/45/66/52/430456652.db2.gz XEPWMIXWINWVNR-JHDROBOHSA-N 2 1 317.477 2.978 20 0 DFADMP Nc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000641746654 430459011 /nfs/dbraw/zinc/45/90/11/430459011.db2.gz BSHATQFEQAVCMJ-CMKODMSKSA-N 2 1 322.456 2.664 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000584121249 430462273 /nfs/dbraw/zinc/46/22/73/430462273.db2.gz GDZYPEGPPLJIOL-UXHICEINSA-N 2 1 312.457 2.873 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000584121249 430462276 /nfs/dbraw/zinc/46/22/76/430462276.db2.gz GDZYPEGPPLJIOL-UXHICEINSA-N 2 1 312.457 2.873 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc(C)c2ncccc2c1 ZINC000641771184 430468649 /nfs/dbraw/zinc/46/86/49/430468649.db2.gz DNUWOEKWGVRENS-GOSISDBHSA-N 2 1 315.461 2.726 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccccc2)C2CCC2)CC1 ZINC000641786712 430472989 /nfs/dbraw/zinc/47/29/89/430472989.db2.gz DRSZVLULIHLTIJ-LJQANCHMSA-N 2 1 302.462 2.964 20 0 DFADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000641805372 430478174 /nfs/dbraw/zinc/47/81/74/430478174.db2.gz NJFFXNKQOKRGIQ-FDRIWYBQSA-N 2 1 323.868 2.621 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000641804644 430478371 /nfs/dbraw/zinc/47/83/71/430478371.db2.gz ZQZGZFXQOBIKID-BPLDGKMQSA-N 2 1 321.852 2.551 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N1CCC[C@@H]1c1cccs1 ZINC000641805723 430478442 /nfs/dbraw/zinc/47/84/42/430478442.db2.gz OFNUQBSEHOSCIC-MYZSUADSSA-N 2 1 321.490 2.516 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641809287 430479939 /nfs/dbraw/zinc/47/99/39/430479939.db2.gz VROKMCFPHCBWHW-BPNCWPANSA-N 2 1 309.841 2.691 20 0 DFADMP CCn1c(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000547768016 430419997 /nfs/dbraw/zinc/41/99/97/430419997.db2.gz DXZPXWVBXJQHJG-AWEZNQCLSA-N 2 1 309.417 2.605 20 0 DFADMP CN(C)c1[nH+]ccc2cc(NC(=O)C3(C[NH+](C)C)CC3)ccc21 ZINC000635976623 430426662 /nfs/dbraw/zinc/42/66/62/430426662.db2.gz XOBTZCWCENSDCB-UHFFFAOYSA-N 2 1 312.417 2.581 20 0 DFADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1cc(-c2ccccc2)nn1C ZINC000583794728 430429606 /nfs/dbraw/zinc/42/96/06/430429606.db2.gz QIRXXKADLVFFQF-AWEZNQCLSA-N 2 1 309.417 2.714 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1 ZINC000638967981 430483718 /nfs/dbraw/zinc/48/37/18/430483718.db2.gz MWLSWEORQXWQSV-DAXOMENPSA-N 2 1 323.868 2.576 20 0 DFADMP CCC[C@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)OC ZINC000638970290 430484208 /nfs/dbraw/zinc/48/42/08/430484208.db2.gz KVOYMNHWOVITRK-RBUKOAKNSA-N 2 1 320.477 2.548 20 0 DFADMP CC[C@](C)(C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)OC ZINC000638972569 430484621 /nfs/dbraw/zinc/48/46/21/430484621.db2.gz VGKNRBUVKZXRCV-RTBURBONSA-N 2 1 320.477 2.548 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000548719911 430494275 /nfs/dbraw/zinc/49/42/75/430494275.db2.gz TWCFTKWVQFXACP-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000548719911 430494280 /nfs/dbraw/zinc/49/42/80/430494280.db2.gz TWCFTKWVQFXACP-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000548719911 430494283 /nfs/dbraw/zinc/49/42/83/430494283.db2.gz TWCFTKWVQFXACP-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548721657 430494928 /nfs/dbraw/zinc/49/49/28/430494928.db2.gz DHJMEBAJDWQWEP-UHFFFAOYSA-N 2 1 323.525 2.972 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1nc(-c3ccccc3)c[nH]1)C2 ZINC000548752437 430497252 /nfs/dbraw/zinc/49/72/52/430497252.db2.gz ZSAPJDCIUCNSQO-CQSZACIVSA-N 2 1 307.401 2.625 20 0 DFADMP Cn1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000639047599 430502438 /nfs/dbraw/zinc/50/24/38/430502438.db2.gz LTFUZVLZUBYYPR-ICSRJNTNSA-N 2 1 324.472 2.920 20 0 DFADMP Cn1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000639047599 430502441 /nfs/dbraw/zinc/50/24/41/430502441.db2.gz LTFUZVLZUBYYPR-ICSRJNTNSA-N 2 1 324.472 2.920 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c2cccs2)CC1 ZINC000548884458 430508261 /nfs/dbraw/zinc/50/82/61/430508261.db2.gz ILHYNBSNDRUUTN-VVLHAWIVSA-N 2 1 319.518 2.815 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCc2nccn2C1 ZINC000639078336 430515030 /nfs/dbraw/zinc/51/50/30/430515030.db2.gz ZLNZONILZDLJPN-QZTJIDSGSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639078336 430515033 /nfs/dbraw/zinc/51/50/33/430515033.db2.gz ZLNZONILZDLJPN-QZTJIDSGSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639078336 430515037 /nfs/dbraw/zinc/51/50/37/430515037.db2.gz ZLNZONILZDLJPN-QZTJIDSGSA-N 2 1 324.472 2.904 20 0 DFADMP C[NH+](C)[C@H]1CCCN([C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000639103198 430524118 /nfs/dbraw/zinc/52/41/18/430524118.db2.gz HXHNGONJJOMBKE-HOTGVXAUSA-N 2 1 305.470 2.842 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC(C)(C)C2CC2)CC1 ZINC000549558868 430527738 /nfs/dbraw/zinc/52/77/38/430527738.db2.gz QJFIZXHRIVTALE-UHFFFAOYSA-N 2 1 316.449 2.598 20 0 DFADMP CO[C@](C)(C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000639117503 430531311 /nfs/dbraw/zinc/53/13/11/430531311.db2.gz GYIXCJSKWIYEKO-PKOBYXMFSA-N 2 1 302.462 2.913 20 0 DFADMP COc1cccc(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000639125284 430534254 /nfs/dbraw/zinc/53/42/54/430534254.db2.gz ZTOJCMXSFYHMOM-INIZCTEOSA-N 2 1 306.450 2.594 20 0 DFADMP COc1cccc(C)c1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000639125284 430534258 /nfs/dbraw/zinc/53/42/58/430534258.db2.gz ZTOJCMXSFYHMOM-INIZCTEOSA-N 2 1 306.450 2.594 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000570389246 430539511 /nfs/dbraw/zinc/53/95/11/430539511.db2.gz ZXBKADVNBMAUOI-JZGRTCEGSA-N 3 1 317.477 2.595 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@H]1c1ccccc1 ZINC000550996863 430548314 /nfs/dbraw/zinc/54/83/14/430548314.db2.gz GVHJKGLTNRKCFO-MOPGFXCFSA-N 2 1 323.440 2.711 20 0 DFADMP O=c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162531 430549902 /nfs/dbraw/zinc/54/99/02/430549902.db2.gz SPLKCLZHNGXBCQ-FQEVSTJZSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1ccc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162531 430549904 /nfs/dbraw/zinc/54/99/04/430549904.db2.gz SPLKCLZHNGXBCQ-FQEVSTJZSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1ccc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162531 430549907 /nfs/dbraw/zinc/54/99/07/430549907.db2.gz SPLKCLZHNGXBCQ-FQEVSTJZSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162531 430549909 /nfs/dbraw/zinc/54/99/09/430549909.db2.gz SPLKCLZHNGXBCQ-FQEVSTJZSA-N 2 1 323.440 2.885 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](CN[C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000639170517 430553604 /nfs/dbraw/zinc/55/36/04/430553604.db2.gz UDOQKZBLKXGZLY-ZBFHGGJFSA-N 2 1 305.470 2.746 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CN[C@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000639170517 430553606 /nfs/dbraw/zinc/55/36/06/430553606.db2.gz UDOQKZBLKXGZLY-ZBFHGGJFSA-N 2 1 305.470 2.746 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cnc(OC)s1 ZINC000639176152 430556490 /nfs/dbraw/zinc/55/64/90/430556490.db2.gz CSJMJFUQGGHCPM-UHFFFAOYSA-N 2 1 308.451 2.823 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(OC)s1 ZINC000639176152 430556495 /nfs/dbraw/zinc/55/64/95/430556495.db2.gz CSJMJFUQGGHCPM-UHFFFAOYSA-N 2 1 308.451 2.823 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000551870368 430566545 /nfs/dbraw/zinc/56/65/45/430566545.db2.gz YMCWERQZJZRCBH-OAHLLOKOSA-N 2 1 316.424 2.831 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000551870368 430566548 /nfs/dbraw/zinc/56/65/48/430566548.db2.gz YMCWERQZJZRCBH-OAHLLOKOSA-N 2 1 316.424 2.831 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000551870368 430566551 /nfs/dbraw/zinc/56/65/51/430566551.db2.gz YMCWERQZJZRCBH-OAHLLOKOSA-N 2 1 316.424 2.831 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CCC[C@H]1C1CC1 ZINC000643250187 430566558 /nfs/dbraw/zinc/56/65/58/430566558.db2.gz DSZIMHMUWDKWJH-IBGZPJMESA-N 2 1 300.446 2.893 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CCC[C@H]1C1CC1 ZINC000643250187 430566559 /nfs/dbraw/zinc/56/65/59/430566559.db2.gz DSZIMHMUWDKWJH-IBGZPJMESA-N 2 1 300.446 2.893 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@]3(CC[NH+](C)C3)C1)CC2 ZINC000639204618 430572490 /nfs/dbraw/zinc/57/24/90/430572490.db2.gz UKFXILMICPEFLN-QFBILLFUSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@]3(CC[NH+](C)C3)C1)CC2 ZINC000639204618 430572493 /nfs/dbraw/zinc/57/24/93/430572493.db2.gz UKFXILMICPEFLN-QFBILLFUSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@@]3(CC[N@H+](C)C3)C1)CC2 ZINC000639204618 430572495 /nfs/dbraw/zinc/57/24/95/430572495.db2.gz UKFXILMICPEFLN-QFBILLFUSA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH+]1CC[C@@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000639204618 430572496 /nfs/dbraw/zinc/57/24/96/430572496.db2.gz UKFXILMICPEFLN-QFBILLFUSA-N 2 1 316.445 2.719 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2Cc3ccccc3C2)C1 ZINC000570736663 430573579 /nfs/dbraw/zinc/57/35/79/430573579.db2.gz USKFMSQWNZYYAC-FQEVSTJZSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@H]1CC[C@@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643295763 430576532 /nfs/dbraw/zinc/57/65/32/430576532.db2.gz PYWVERKEPXKBSV-FUHWJXTLSA-N 2 1 318.461 2.506 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CCO2 ZINC000552065205 430583380 /nfs/dbraw/zinc/58/33/80/430583380.db2.gz JTEUCXXDNVCZRE-RANZSIQMSA-N 2 1 316.445 2.981 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)s1 ZINC000570920365 430588369 /nfs/dbraw/zinc/58/83/69/430588369.db2.gz ITNNRDQULSTJEZ-NSHDSACASA-N 2 1 319.478 2.746 20 0 DFADMP COC[C@@H](C)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000570966351 430592826 /nfs/dbraw/zinc/59/28/26/430592826.db2.gz UAEGIPMWHGXHDM-HOCLYGCPSA-N 2 1 308.491 2.975 20 0 DFADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000571088130 430602222 /nfs/dbraw/zinc/60/22/22/430602222.db2.gz MBBGPXOYHZPSOQ-XIRDDKMYSA-N 2 1 311.429 2.803 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000643057872 430545688 /nfs/dbraw/zinc/54/56/88/430545688.db2.gz PSEVZZQIXDJAGZ-HNNXBMFYSA-N 2 1 306.450 2.627 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000643057872 430545691 /nfs/dbraw/zinc/54/56/91/430545691.db2.gz PSEVZZQIXDJAGZ-HNNXBMFYSA-N 2 1 306.450 2.627 20 0 DFADMP C(C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643057522 430545771 /nfs/dbraw/zinc/54/57/71/430545771.db2.gz NGMZLWDOHKCLOR-DZGCQCFKSA-N 2 1 304.438 2.864 20 0 DFADMP C(C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643057522 430545775 /nfs/dbraw/zinc/54/57/75/430545775.db2.gz NGMZLWDOHKCLOR-DZGCQCFKSA-N 2 1 304.438 2.864 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714545 430649917 /nfs/dbraw/zinc/64/99/17/430649917.db2.gz BYWKFWWZUNOURA-PIKADFDJSA-N 2 1 300.446 2.531 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554725584 430651273 /nfs/dbraw/zinc/65/12/73/430651273.db2.gz WLWNROSKDPFXDX-OMZCGLGVSA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554725584 430651277 /nfs/dbraw/zinc/65/12/77/430651277.db2.gz WLWNROSKDPFXDX-OMZCGLGVSA-N 2 1 314.473 2.648 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CC[C@@H](C)C2)cc1 ZINC000554800616 430652130 /nfs/dbraw/zinc/65/21/30/430652130.db2.gz WVMHTUZHTZXUJE-MRXNPFEDSA-N 2 1 317.477 2.600 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000554825761 430652808 /nfs/dbraw/zinc/65/28/08/430652808.db2.gz ZLJYGRLVHUVXIK-XDNAFOTISA-N 2 1 322.493 2.662 20 0 DFADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000554881423 430654702 /nfs/dbraw/zinc/65/47/02/430654702.db2.gz YRNJFHFSCLPQGJ-OAHLLOKOSA-N 2 1 322.412 2.966 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)cn1 ZINC000554886007 430654798 /nfs/dbraw/zinc/65/47/98/430654798.db2.gz JILJKZZKUHZBOR-FZMZJTMJSA-N 2 1 312.255 2.616 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)cn1 ZINC000554886007 430654803 /nfs/dbraw/zinc/65/48/03/430654803.db2.gz JILJKZZKUHZBOR-FZMZJTMJSA-N 2 1 312.255 2.616 20 0 DFADMP COc1nc2ccccc2cc1C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000554881422 430654855 /nfs/dbraw/zinc/65/48/55/430654855.db2.gz YRNJFHFSCLPQGJ-HNNXBMFYSA-N 2 1 322.412 2.966 20 0 DFADMP C[C@@H](NC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000639494389 430655382 /nfs/dbraw/zinc/65/53/82/430655382.db2.gz KHEXEZSKOXIYOP-ZACQAIPSSA-N 2 1 317.477 2.526 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639507594 430658257 /nfs/dbraw/zinc/65/82/57/430658257.db2.gz IKSMMSWDGIOOQK-QGZVFWFLSA-N 2 1 314.473 2.923 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000639507594 430658260 /nfs/dbraw/zinc/65/82/60/430658260.db2.gz IKSMMSWDGIOOQK-QGZVFWFLSA-N 2 1 314.473 2.923 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639507594 430658263 /nfs/dbraw/zinc/65/82/63/430658263.db2.gz IKSMMSWDGIOOQK-QGZVFWFLSA-N 2 1 314.473 2.923 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457652 430603710 /nfs/dbraw/zinc/60/37/10/430603710.db2.gz UPSPIDAPJPWDFZ-SXLOBPIMSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457652 430603713 /nfs/dbraw/zinc/60/37/13/430603713.db2.gz UPSPIDAPJPWDFZ-SXLOBPIMSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457652 430603716 /nfs/dbraw/zinc/60/37/16/430603716.db2.gz UPSPIDAPJPWDFZ-SXLOBPIMSA-N 3 1 315.505 2.876 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc21 ZINC000643463340 430604129 /nfs/dbraw/zinc/60/41/29/430604129.db2.gz ZHCBEJFZZLVHHX-OLMNPRSZSA-N 2 1 313.445 2.512 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457669 430604808 /nfs/dbraw/zinc/60/48/08/430604808.db2.gz WHZUABUHSHFPOR-HOJAQTOUSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457669 430604811 /nfs/dbraw/zinc/60/48/11/430604811.db2.gz WHZUABUHSHFPOR-HOJAQTOUSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457669 430604814 /nfs/dbraw/zinc/60/48/14/430604814.db2.gz WHZUABUHSHFPOR-HOJAQTOUSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000643457669 430604816 /nfs/dbraw/zinc/60/48/16/430604816.db2.gz WHZUABUHSHFPOR-HOJAQTOUSA-N 2 1 315.505 2.876 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)[C@@H]1CCCC[NH2+]1 ZINC000643463872 430605362 /nfs/dbraw/zinc/60/53/62/430605362.db2.gz FWJRGKOURFQLJK-SQNIBIBYSA-N 2 1 320.477 2.553 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000643467744 430605529 /nfs/dbraw/zinc/60/55/29/430605529.db2.gz YARURUHQOWPFGR-RYRKJORJSA-N 2 1 321.509 2.820 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000643488762 430608351 /nfs/dbraw/zinc/60/83/51/430608351.db2.gz WJZIMMKVZQLDCI-HFTRVMKXSA-N 2 1 306.450 2.751 20 0 DFADMP C[N@H+]1CCCC[C@H](CNCc2ccccc2OCCCCO)C1 ZINC000639346576 430617658 /nfs/dbraw/zinc/61/76/58/430617658.db2.gz GPIZWJBYFMVAPU-QGZVFWFLSA-N 2 1 320.477 2.659 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639346576 430617661 /nfs/dbraw/zinc/61/76/61/430617661.db2.gz GPIZWJBYFMVAPU-QGZVFWFLSA-N 2 1 320.477 2.659 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639346576 430617662 /nfs/dbraw/zinc/61/76/62/430617662.db2.gz GPIZWJBYFMVAPU-QGZVFWFLSA-N 2 1 320.477 2.659 20 0 DFADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)F ZINC000639378414 430628341 /nfs/dbraw/zinc/62/83/41/430628341.db2.gz UTVVBHQKCBLWSP-HYVNUMGLSA-N 2 1 324.415 2.960 20 0 DFADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C(F)F ZINC000639378414 430628343 /nfs/dbraw/zinc/62/83/43/430628343.db2.gz UTVVBHQKCBLWSP-HYVNUMGLSA-N 2 1 324.415 2.960 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000571461808 430628964 /nfs/dbraw/zinc/62/89/64/430628964.db2.gz JBZMWLCWRFFLLQ-HOTGVXAUSA-N 2 1 317.477 2.574 20 0 DFADMP COC[C@H](C)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571448221 430629150 /nfs/dbraw/zinc/62/91/50/430629150.db2.gz XKUDGRBWYWSKGZ-IEBWSBKVSA-N 2 1 302.462 2.867 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000554310928 430633329 /nfs/dbraw/zinc/63/33/29/430633329.db2.gz UPRIWKPFNPLSHP-CVEARBPZSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000554427909 430636277 /nfs/dbraw/zinc/63/62/77/430636277.db2.gz XYEZWWOWAXTCHO-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc2ccccc21 ZINC000571723498 430648320 /nfs/dbraw/zinc/64/83/20/430648320.db2.gz XEFIAJDRPAQVID-GOSISDBHSA-N 2 1 300.446 2.627 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)CCc1cccc2ccccc21 ZINC000571723498 430648322 /nfs/dbraw/zinc/64/83/22/430648322.db2.gz XEFIAJDRPAQVID-GOSISDBHSA-N 2 1 300.446 2.627 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)CCc1cccc2ccccc21 ZINC000571723498 430648327 /nfs/dbraw/zinc/64/83/27/430648327.db2.gz XEFIAJDRPAQVID-GOSISDBHSA-N 2 1 300.446 2.627 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000571723498 430648331 /nfs/dbraw/zinc/64/83/31/430648331.db2.gz XEFIAJDRPAQVID-GOSISDBHSA-N 2 1 300.446 2.627 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1O ZINC000572094826 430671124 /nfs/dbraw/zinc/67/11/24/430671124.db2.gz MKUSUHLCGXZSIJ-GOEBONIOSA-N 2 1 306.450 2.653 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3ncnn32)cc1 ZINC000639567526 430673152 /nfs/dbraw/zinc/67/31/52/430673152.db2.gz SDDKLQKCQHGIMB-DYVFJYSZSA-N 2 1 322.416 2.610 20 0 DFADMP C[C@@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000572165274 430674794 /nfs/dbraw/zinc/67/47/94/430674794.db2.gz QDGCFZWIHCOZQQ-INIZCTEOSA-N 2 1 302.462 2.617 20 0 DFADMP C[C@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000639589042 430677717 /nfs/dbraw/zinc/67/77/17/430677717.db2.gz IRSLIDMAAVUSTD-FPAYPSAMSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572257768 430678648 /nfs/dbraw/zinc/67/86/48/430678648.db2.gz QIFDNGALBSHFFO-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572257768 430678650 /nfs/dbraw/zinc/67/86/50/430678650.db2.gz QIFDNGALBSHFFO-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639615387 430681594 /nfs/dbraw/zinc/68/15/94/430681594.db2.gz OCWFCHZYCGXCQL-MSOLQXFVSA-N 2 1 317.477 2.650 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639615387 430681595 /nfs/dbraw/zinc/68/15/95/430681595.db2.gz OCWFCHZYCGXCQL-MSOLQXFVSA-N 2 1 317.477 2.650 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639615387 430681596 /nfs/dbraw/zinc/68/15/96/430681596.db2.gz OCWFCHZYCGXCQL-MSOLQXFVSA-N 2 1 317.477 2.650 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639615387 430681597 /nfs/dbraw/zinc/68/15/97/430681597.db2.gz OCWFCHZYCGXCQL-MSOLQXFVSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1OCC[C@@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639614416 430682009 /nfs/dbraw/zinc/68/20/09/430682009.db2.gz CUUMBDHRNLQLSC-GOEBONIOSA-N 2 1 303.450 2.824 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC[N@H+]1C ZINC000153582383 278025142 /nfs/dbraw/zinc/02/51/42/278025142.db2.gz RQWLUOJBGANLOK-SJLPKXTDSA-N 2 1 302.462 2.807 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC[N@@H+]1C ZINC000332185325 278027946 /nfs/dbraw/zinc/02/79/46/278027946.db2.gz BCGAGRFTQHQJBL-XNRPHZJLSA-N 2 1 303.450 2.943 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC[N@H+]1C ZINC000332185325 278027949 /nfs/dbraw/zinc/02/79/49/278027949.db2.gz BCGAGRFTQHQJBL-XNRPHZJLSA-N 2 1 303.450 2.943 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2c1CCOC2 ZINC000639526124 430662702 /nfs/dbraw/zinc/66/27/02/430662702.db2.gz LBVUYMBXMCOJFI-MSOLQXFVSA-N 2 1 300.446 2.818 20 0 DFADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc2c1CCOC2 ZINC000639526124 430662706 /nfs/dbraw/zinc/66/27/06/430662706.db2.gz LBVUYMBXMCOJFI-MSOLQXFVSA-N 2 1 300.446 2.818 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1cccc2c1CCOC2 ZINC000639526124 430662707 /nfs/dbraw/zinc/66/27/07/430662707.db2.gz LBVUYMBXMCOJFI-MSOLQXFVSA-N 2 1 300.446 2.818 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccnn2C)c1 ZINC000572483316 430688186 /nfs/dbraw/zinc/68/81/86/430688186.db2.gz YTJTYSARDBVPBE-FQEVSTJZSA-N 2 1 324.472 2.971 20 0 DFADMP CC[C@@H](C)CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000556792730 430692703 /nfs/dbraw/zinc/69/27/03/430692703.db2.gz DGEIIKNMMGDEAU-CQSZACIVSA-N 2 1 304.438 2.598 20 0 DFADMP COC(=O)C[N@H+](CCCc1cnccc1C)Cc1ccccc1 ZINC000572682665 430693954 /nfs/dbraw/zinc/69/39/54/430693954.db2.gz PZDGWIMFIXRDTP-UHFFFAOYSA-N 2 1 312.413 2.998 20 0 DFADMP COC(=O)C[N@@H+](CCCc1cnccc1C)Cc1ccccc1 ZINC000572682665 430693957 /nfs/dbraw/zinc/69/39/57/430693957.db2.gz PZDGWIMFIXRDTP-UHFFFAOYSA-N 2 1 312.413 2.998 20 0 DFADMP c1cc2c(cc1C[N@H+]1CC[C@H](C3CCOCC3)C1)C[NH2+]CC2 ZINC000572772747 430696916 /nfs/dbraw/zinc/69/69/16/430696916.db2.gz MTRFRRYYOFZBKM-SFHVURJKSA-N 2 1 300.446 2.581 20 0 DFADMP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)(C)O1 ZINC000330670443 278369014 /nfs/dbraw/zinc/36/90/14/278369014.db2.gz DJPOCMGGQYJIRJ-ZIAGYGMSSA-N 2 1 311.470 2.559 20 0 DFADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1Cl ZINC000657752851 430725705 /nfs/dbraw/zinc/72/57/05/430725705.db2.gz SQEPIGZHXULBCF-MRXNPFEDSA-N 2 1 308.853 2.991 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657752352 430726094 /nfs/dbraw/zinc/72/60/94/430726094.db2.gz YUXWQOIFCJUYHR-LPQSXRFUSA-N 2 1 304.409 2.682 20 0 DFADMP c1cc2cnccc2c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657752786 430726682 /nfs/dbraw/zinc/72/66/82/430726682.db2.gz RENLEBPLCZVPBG-SFHVURJKSA-N 2 1 311.429 2.578 20 0 DFADMP COC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774573 430731310 /nfs/dbraw/zinc/73/13/10/430731310.db2.gz ZSASIOYOVXPVBE-FUHWJXTLSA-N 2 1 302.462 2.913 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773378 430732889 /nfs/dbraw/zinc/73/28/89/430732889.db2.gz RDABJMFOUUBHTD-MSOLQXFVSA-N 2 1 300.446 2.667 20 0 DFADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657789851 430733995 /nfs/dbraw/zinc/73/39/95/430733995.db2.gz LZXDYSISYIXAHA-KURKYZTESA-N 2 1 300.446 2.951 20 0 DFADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657789851 430734001 /nfs/dbraw/zinc/73/40/01/430734001.db2.gz LZXDYSISYIXAHA-KURKYZTESA-N 2 1 300.446 2.951 20 0 DFADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657997275 430784146 /nfs/dbraw/zinc/78/41/46/430784146.db2.gz ARMLHABBUZKWIM-QZTJIDSGSA-N 2 1 310.445 2.830 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]2c2ccc(F)cc2)CC1 ZINC000661507684 430742128 /nfs/dbraw/zinc/74/21/28/430742128.db2.gz ATAVPFMLWFQZSW-IBGZPJMESA-N 2 1 319.468 2.989 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000644560716 430752034 /nfs/dbraw/zinc/75/20/34/430752034.db2.gz DLPMMXRYAOEPJF-WOJBJXKFSA-N 2 1 324.468 2.799 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000644560716 430752036 /nfs/dbraw/zinc/75/20/36/430752036.db2.gz DLPMMXRYAOEPJF-WOJBJXKFSA-N 2 1 324.468 2.799 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000644574920 430757171 /nfs/dbraw/zinc/75/71/71/430757171.db2.gz KDNUJJDILLKIGT-WFASDCNBSA-N 2 1 309.841 2.741 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)Cc1cccc(Cl)c1)C1CC1 ZINC000644587848 430760207 /nfs/dbraw/zinc/76/02/07/430760207.db2.gz WAGIGAVUXJDXIW-KRWDZBQOSA-N 2 1 324.896 2.953 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)Cc1cccc(Cl)c1)C1CC1 ZINC000644587848 430760216 /nfs/dbraw/zinc/76/02/16/430760216.db2.gz WAGIGAVUXJDXIW-KRWDZBQOSA-N 2 1 324.896 2.953 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657882117 430760643 /nfs/dbraw/zinc/76/06/43/430760643.db2.gz XUJQKOANILJVSH-GDBMZVCRSA-N 2 1 317.433 2.715 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)[C@H](C)C1 ZINC000657884457 430761010 /nfs/dbraw/zinc/76/10/10/430761010.db2.gz ULFBYIWWZHYUHZ-ZACQAIPSSA-N 2 1 314.539 2.999 20 0 DFADMP Cc1cc(N2CCC([NH2+]C3CC(CF)(CF)C3)CC2)nc(C)[nH+]1 ZINC000657900710 430762980 /nfs/dbraw/zinc/76/29/80/430762980.db2.gz LZIQFECLTPQYBP-UHFFFAOYSA-N 2 1 324.419 2.740 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000644599729 430764405 /nfs/dbraw/zinc/76/44/05/430764405.db2.gz OMIPAKKDFYAIMI-NRFANRHFSA-N 2 1 324.468 2.941 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000644599729 430764411 /nfs/dbraw/zinc/76/44/11/430764411.db2.gz OMIPAKKDFYAIMI-NRFANRHFSA-N 2 1 324.468 2.941 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCC34CC4)C2)nc(C)[nH+]1 ZINC000657944022 430772392 /nfs/dbraw/zinc/77/23/92/430772392.db2.gz WULHGFWASUDALI-HZPDHXFCSA-N 2 1 300.450 2.985 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCCSCC3)C2)nc(C)[nH+]1 ZINC000657942913 430773435 /nfs/dbraw/zinc/77/34/35/430773435.db2.gz FGNMXXHFNQMMMW-JKSUJKDBSA-N 2 1 320.506 2.938 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCSCC3)C2)nc(C)[nH+]1 ZINC000657942910 430774082 /nfs/dbraw/zinc/77/40/82/430774082.db2.gz FGNMXXHFNQMMMW-CVEARBPZSA-N 2 1 320.506 2.938 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)C(F)(F)F ZINC000644640957 430776820 /nfs/dbraw/zinc/77/68/20/430776820.db2.gz IZDQTMYOIOIDPS-CQSZACIVSA-N 2 1 318.383 2.657 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)C(F)(F)F ZINC000644640957 430776823 /nfs/dbraw/zinc/77/68/23/430776823.db2.gz IZDQTMYOIOIDPS-CQSZACIVSA-N 2 1 318.383 2.657 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000644637429 430777416 /nfs/dbraw/zinc/77/74/16/430777416.db2.gz HGEAUQYFTZZSBE-HZPDHXFCSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000644637429 430777421 /nfs/dbraw/zinc/77/74/21/430777421.db2.gz HGEAUQYFTZZSBE-HZPDHXFCSA-N 2 1 312.404 2.504 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658136117 430820226 /nfs/dbraw/zinc/82/02/26/430820226.db2.gz BQSMKLDTZIAQDN-KBXCAEBGSA-N 2 1 300.402 2.697 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C1 ZINC000658136530 430820578 /nfs/dbraw/zinc/82/05/78/430820578.db2.gz HKEPRKREIOWQED-ROUUACIJSA-N 2 1 300.446 2.676 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccco1 ZINC000658147353 430824996 /nfs/dbraw/zinc/82/49/96/430824996.db2.gz ZGGPWKKUNODPLF-WMLDXEAASA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccco1 ZINC000658147354 430826481 /nfs/dbraw/zinc/82/64/81/430826481.db2.gz ZGGPWKKUNODPLF-YOEHRIQHSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658170853 430834364 /nfs/dbraw/zinc/83/43/64/430834364.db2.gz VFZCHDROEFQBDU-USXIJHARSA-N 2 1 324.415 2.911 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)Cc3ccoc3)C2)nc(C)[nH+]1 ZINC000648446233 430790751 /nfs/dbraw/zinc/79/07/51/430790751.db2.gz PHEXZMUJGXZXLQ-CXAGYDPISA-N 2 1 314.433 2.876 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661693707 430805009 /nfs/dbraw/zinc/80/50/09/430805009.db2.gz SCGLFLSQBWIPPZ-QZTJIDSGSA-N 2 1 308.441 2.551 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661693707 430805015 /nfs/dbraw/zinc/80/50/15/430805015.db2.gz SCGLFLSQBWIPPZ-QZTJIDSGSA-N 2 1 308.441 2.551 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661693707 430805020 /nfs/dbraw/zinc/80/50/20/430805020.db2.gz SCGLFLSQBWIPPZ-QZTJIDSGSA-N 2 1 308.441 2.551 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661693707 430805025 /nfs/dbraw/zinc/80/50/25/430805025.db2.gz SCGLFLSQBWIPPZ-QZTJIDSGSA-N 2 1 308.441 2.551 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658253137 430852280 /nfs/dbraw/zinc/85/22/80/430852280.db2.gz STKULDUGXHKSTQ-GDAAHCPNSA-N 2 1 314.473 2.790 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000658266232 430857568 /nfs/dbraw/zinc/85/75/68/430857568.db2.gz GMSYVRJHVSRYRK-PVAVHDDUSA-N 2 1 302.466 2.650 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000665238363 430864376 /nfs/dbraw/zinc/86/43/76/430864376.db2.gz WWOKZNSITJSVDB-FVQBIDKESA-N 2 1 304.434 2.714 20 0 DFADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665235871 430864425 /nfs/dbraw/zinc/86/44/25/430864425.db2.gz BJDRXYVMWJIOKJ-KZNAEPCWSA-N 2 1 314.477 2.692 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665249577 430867529 /nfs/dbraw/zinc/86/75/29/430867529.db2.gz TTZZWCCVNZYFBY-SJLPKXTDSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]1[C@H](NCC2([NH3+])CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000665247004 430868672 /nfs/dbraw/zinc/86/86/72/430868672.db2.gz SXUOURINBSFMJT-SJLPKXTDSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@@H]1[C@H](NCC2([NH3+])CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000665247004 430868678 /nfs/dbraw/zinc/86/86/78/430868678.db2.gz SXUOURINBSFMJT-SJLPKXTDSA-N 2 1 301.478 2.901 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000665253376 430870245 /nfs/dbraw/zinc/87/02/45/430870245.db2.gz PDZAWKMRZSUPPT-DTTOXWODSA-N 2 1 324.415 2.815 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCOC[C@H]2C)cc1 ZINC000665254994 430870362 /nfs/dbraw/zinc/87/03/62/430870362.db2.gz GCFGMIATQSQTFB-FCLVOEFKSA-N 2 1 318.461 2.545 20 0 DFADMP CC(C)[C@@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC000665251525 430871045 /nfs/dbraw/zinc/87/10/45/430871045.db2.gz RQGFAAHTVYVUQR-MANSERQUSA-N 2 1 302.462 2.925 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000648746527 430877778 /nfs/dbraw/zinc/87/77/78/430877778.db2.gz DUXIAXMVCULGRF-HRCADAONSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000648746527 430877781 /nfs/dbraw/zinc/87/77/81/430877781.db2.gz DUXIAXMVCULGRF-HRCADAONSA-N 2 1 320.481 2.633 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000665273285 430878192 /nfs/dbraw/zinc/87/81/92/430878192.db2.gz SYNSVRUQVCAXNS-GJZGRUSLSA-N 2 1 304.482 2.620 20 0 DFADMP CC1(C)[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@@H]1OCc1ccccc1 ZINC000665278353 430880753 /nfs/dbraw/zinc/88/07/53/430880753.db2.gz BTDJOYFVWSHWNG-ISXWCOSWSA-N 2 1 300.446 2.712 20 0 DFADMP C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000665284071 430884801 /nfs/dbraw/zinc/88/48/01/430884801.db2.gz ZXSSVIDVYUZDDY-QWRGUYRKSA-N 2 1 302.340 2.905 20 0 DFADMP OC(C[NH+]1CC[C@H](C2CCC2)C1)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665288048 430887664 /nfs/dbraw/zinc/88/76/64/430887664.db2.gz BGMNQRDPDOMEGI-ROUUACIJSA-N 2 1 306.494 2.591 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661775907 430839637 /nfs/dbraw/zinc/83/96/37/430839637.db2.gz DHVVSRCGSVQSBG-ROUUACIJSA-N 2 1 315.465 2.706 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000651647605 430840319 /nfs/dbraw/zinc/84/03/19/430840319.db2.gz XGVSMVVIWMNZGH-INIZCTEOSA-N 2 1 317.433 2.761 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cnccc2o1 ZINC000651651425 430840452 /nfs/dbraw/zinc/84/04/52/430840452.db2.gz YFJBJWGDPVEQOE-KYJSFNMBSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cnccc2o1 ZINC000651651425 430840456 /nfs/dbraw/zinc/84/04/56/430840456.db2.gz YFJBJWGDPVEQOE-KYJSFNMBSA-N 2 1 315.417 2.511 20 0 DFADMP Cc1ccc(F)cc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665159145 430841096 /nfs/dbraw/zinc/84/10/96/430841096.db2.gz KSQXZMZYIASTLK-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1ccc(F)cc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665159145 430841100 /nfs/dbraw/zinc/84/11/00/430841100.db2.gz KSQXZMZYIASTLK-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000651865738 430897228 /nfs/dbraw/zinc/89/72/28/430897228.db2.gz GHPBALPDWWKHPQ-UHFFFAOYSA-N 2 1 304.482 2.749 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000651865738 430897230 /nfs/dbraw/zinc/89/72/30/430897230.db2.gz GHPBALPDWWKHPQ-UHFFFAOYSA-N 2 1 304.482 2.749 20 0 DFADMP CC[C@@H]1COC(C)(C)C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000651911918 430911893 /nfs/dbraw/zinc/91/18/93/430911893.db2.gz CRSMMQREUZOTJV-MRXNPFEDSA-N 2 1 314.433 2.965 20 0 DFADMP CC[C@@H]1COC(C)(C)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000651911918 430911897 /nfs/dbraw/zinc/91/18/97/430911897.db2.gz CRSMMQREUZOTJV-MRXNPFEDSA-N 2 1 314.433 2.965 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1conc1Cc1ccccc1)CC2 ZINC000645177388 430926976 /nfs/dbraw/zinc/92/69/76/430926976.db2.gz QEHWEYZMCURBOG-MRXNPFEDSA-N 2 1 322.412 2.814 20 0 DFADMP CCC(CC)CCC[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662036375 430930378 /nfs/dbraw/zinc/93/03/78/430930378.db2.gz CMJNYIONDJFMOD-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659023442 430943446 /nfs/dbraw/zinc/94/34/46/430943446.db2.gz WUKRWNMZIAIXSP-OAHLLOKOSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000659023441 430944886 /nfs/dbraw/zinc/94/48/86/430944886.db2.gz WUKRWNMZIAIXSP-HNNXBMFYSA-N 2 1 318.465 2.648 20 0 DFADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@H]1CCC[NH+]1C1CCCC1 ZINC000655353281 430973094 /nfs/dbraw/zinc/97/30/94/430973094.db2.gz SLUVHIDUZWIBGP-KZNAEPCWSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000655353281 430973099 /nfs/dbraw/zinc/97/30/99/430973099.db2.gz SLUVHIDUZWIBGP-KZNAEPCWSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000655353281 430973106 /nfs/dbraw/zinc/97/31/06/430973106.db2.gz SLUVHIDUZWIBGP-KZNAEPCWSA-N 2 1 319.493 2.527 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000662150306 430980629 /nfs/dbraw/zinc/98/06/29/430980629.db2.gz USILXXJXYCQFKP-KYLNKMBASA-N 2 1 300.446 2.621 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN(Cc3cc4ccccc4s3)CC2)C1 ZINC000662152222 430981589 /nfs/dbraw/zinc/98/15/89/430981589.db2.gz AFTGXQFCPNMTQR-INIZCTEOSA-N 2 1 316.470 2.932 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@]3(C)CCCO3)C2)nc(C)[nH+]1 ZINC000645433899 431001777 /nfs/dbraw/zinc/00/17/77/431001777.db2.gz GBPCOFAINKAARB-ZVZYQTTQSA-N 2 1 318.465 2.609 20 0 DFADMP CC(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000652143222 430970811 /nfs/dbraw/zinc/97/08/11/430970811.db2.gz SJGFMHCAPTUYHQ-ZWKOTPCHSA-N 2 1 308.441 2.959 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000360040342 288080097 /nfs/dbraw/zinc/08/00/97/288080097.db2.gz UHYJHXGWALZUCE-AHRSYUTCSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000360040342 288080099 /nfs/dbraw/zinc/08/00/99/288080099.db2.gz UHYJHXGWALZUCE-AHRSYUTCSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000360040342 288080100 /nfs/dbraw/zinc/08/01/00/288080100.db2.gz UHYJHXGWALZUCE-AHRSYUTCSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040342 288080101 /nfs/dbraw/zinc/08/01/01/288080101.db2.gz UHYJHXGWALZUCE-AHRSYUTCSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040342 288080103 /nfs/dbraw/zinc/08/01/03/288080103.db2.gz UHYJHXGWALZUCE-AHRSYUTCSA-N 2 1 315.505 2.827 20 0 DFADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339996 431025311 /nfs/dbraw/zinc/02/53/11/431025311.db2.gz WVCWMGKMEMKZIX-LJQANCHMSA-N 2 1 310.445 2.711 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)[C@@H](CC)CO1 ZINC000652344473 431025526 /nfs/dbraw/zinc/02/55/26/431025526.db2.gz JITJGSQDPFLCTM-YESZJQIVSA-N 2 1 306.450 2.627 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)[C@@H](CC)CO1 ZINC000652344473 431025533 /nfs/dbraw/zinc/02/55/33/431025533.db2.gz JITJGSQDPFLCTM-YESZJQIVSA-N 2 1 306.450 2.627 20 0 DFADMP C[NH+](C/C=C\C[N@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662266680 431025823 /nfs/dbraw/zinc/02/58/23/431025823.db2.gz KYVJHNOOOAXZQM-ARJAWSKDSA-N 2 1 310.532 2.753 20 0 DFADMP CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339449 431026115 /nfs/dbraw/zinc/02/61/15/431026115.db2.gz VZNWDYJMAONKDE-UXHICEINSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339449 431026117 /nfs/dbraw/zinc/02/61/17/431026117.db2.gz VZNWDYJMAONKDE-UXHICEINSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339449 431026119 /nfs/dbraw/zinc/02/61/19/431026119.db2.gz VZNWDYJMAONKDE-UXHICEINSA-N 2 1 313.489 2.781 20 0 DFADMP c1ccc(COCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000662271991 431027209 /nfs/dbraw/zinc/02/72/09/431027209.db2.gz ASVAIIFLUFFOSG-RBUKOAKNSA-N 2 1 302.462 2.915 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652355200 431029378 /nfs/dbraw/zinc/02/93/78/431029378.db2.gz QVIJBIWHSWKVCY-CXAGYDPISA-N 2 1 321.440 2.912 20 0 DFADMP COc1cccc(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Cl ZINC000662274780 431029918 /nfs/dbraw/zinc/02/99/18/431029918.db2.gz WZDUENXULYSDDI-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP COc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1Cl ZINC000662274780 431029924 /nfs/dbraw/zinc/02/99/24/431029924.db2.gz WZDUENXULYSDDI-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP CN(c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1)C1CC1 ZINC000662273585 431030025 /nfs/dbraw/zinc/03/00/25/431030025.db2.gz OOWQSFJAOQYFSU-AWEZNQCLSA-N 2 1 320.506 2.563 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CCCC1 ZINC000652355055 431030382 /nfs/dbraw/zinc/03/03/82/431030382.db2.gz OCTMXKUPAMPTKD-NVXWUHKLSA-N 2 1 309.498 2.615 20 0 DFADMP [NH3+]CCC[N@H+](Cc1cccc2c1CC[NH2+]C2)CC1CCCC1 ZINC000662273602 431031146 /nfs/dbraw/zinc/03/11/46/431031146.db2.gz PGWUSSXOJJRMHN-UHFFFAOYSA-N 3 1 301.478 2.673 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)c2c(c1)C[NH2+]CC2 ZINC000662284635 431032417 /nfs/dbraw/zinc/03/24/17/431032417.db2.gz YNPPJHRJBXXPGJ-IEBWSBKVSA-N 2 1 300.446 2.723 20 0 DFADMP Cn1nccc1[C@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279670 431032800 /nfs/dbraw/zinc/03/28/00/431032800.db2.gz AUMFVVOXYACANV-LJQANCHMSA-N 2 1 310.445 2.793 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662282493 431033091 /nfs/dbraw/zinc/03/30/91/431033091.db2.gz AMQVPBQXAJECEO-UHFFFAOYSA-N 2 1 302.340 2.988 20 0 DFADMP FC1(F)CCCC[C@H]1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662280395 431033404 /nfs/dbraw/zinc/03/34/04/431033404.db2.gz DBBSCMZRUVOXNW-ZNMIVQPWSA-N 2 1 314.420 2.512 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1csc(N(C)C3CC3)n1)CC[NH2+]CC2 ZINC000662283369 431033525 /nfs/dbraw/zinc/03/35/25/431033525.db2.gz MWXAVJIDIXRMHI-CYBMUJFWSA-N 2 1 320.506 2.706 20 0 DFADMP Fc1ccc(OCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662292916 431034169 /nfs/dbraw/zinc/03/41/69/431034169.db2.gz BWKAGBBXICGZKY-MRXNPFEDSA-N 2 1 306.425 2.916 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000662286207 431034905 /nfs/dbraw/zinc/03/49/05/431034905.db2.gz POYUNBFUUTWTOR-WJFTUGDTSA-N 2 1 318.461 2.592 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)c1ccccc1 ZINC000662285160 431036290 /nfs/dbraw/zinc/03/62/90/431036290.db2.gz YJEPTXIURBCANW-AKHDSKFASA-N 2 1 318.461 2.735 20 0 DFADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298965 431037258 /nfs/dbraw/zinc/03/72/58/431037258.db2.gz YVLZCVULDHUPJF-HNNXBMFYSA-N 2 1 303.450 2.765 20 0 DFADMP Cc1ccc(-c2noc(CCC[N@@H+](C)CC(C)(C)[NH3+])n2)cc1F ZINC000662297905 431037382 /nfs/dbraw/zinc/03/73/82/431037382.db2.gz SFJMCTJZDPQXKI-UHFFFAOYSA-N 2 1 320.412 2.786 20 0 DFADMP Cc1ccc(-c2noc(CCC[N@H+](C)CC(C)(C)[NH3+])n2)cc1F ZINC000662297905 431037389 /nfs/dbraw/zinc/03/73/89/431037389.db2.gz SFJMCTJZDPQXKI-UHFFFAOYSA-N 2 1 320.412 2.786 20 0 DFADMP Clc1ccc(N2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000662299060 431037714 /nfs/dbraw/zinc/03/77/14/431037714.db2.gz JPSQEAVTFCYGND-GFCCVEGCSA-N 2 1 314.260 2.725 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCc3ccccc3C(C)(C)C2)n1 ZINC000662299660 431037731 /nfs/dbraw/zinc/03/77/31/431037731.db2.gz UELPECFEBHIKLV-UHFFFAOYSA-N 2 1 314.433 2.599 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCc3ccccc3C(C)(C)C2)n1 ZINC000662299660 431037736 /nfs/dbraw/zinc/03/77/36/431037736.db2.gz UELPECFEBHIKLV-UHFFFAOYSA-N 2 1 314.433 2.599 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000662295966 431038144 /nfs/dbraw/zinc/03/81/44/431038144.db2.gz JNFHEEVUYVZBPK-IBGZPJMESA-N 2 1 314.473 2.876 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](C2CCCCC2)C1 ZINC000662305975 431040465 /nfs/dbraw/zinc/04/04/65/431040465.db2.gz MKSJXWXRMLXSMJ-UFYCRDLUSA-N 2 1 316.489 2.820 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313702 431043830 /nfs/dbraw/zinc/04/38/30/431043830.db2.gz XLRGHKPQPWXCKV-DFBDCSAJSA-N 2 1 323.525 2.767 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662317274 431043906 /nfs/dbraw/zinc/04/39/06/431043906.db2.gz PMNLCPDOWNSJMJ-CRAIPNDOSA-N 2 1 306.450 2.913 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313981 431044043 /nfs/dbraw/zinc/04/40/43/431044043.db2.gz ARKIZAUNOGTLDJ-HHXXYDBFSA-N 3 1 319.493 2.577 20 0 DFADMP COc1ccc([C@@H](CN)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313981 431044047 /nfs/dbraw/zinc/04/40/47/431044047.db2.gz ARKIZAUNOGTLDJ-HHXXYDBFSA-N 2 1 319.493 2.577 20 0 DFADMP COc1ccc([C@@H](CN)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313981 431044051 /nfs/dbraw/zinc/04/40/51/431044051.db2.gz ARKIZAUNOGTLDJ-HHXXYDBFSA-N 2 1 319.493 2.577 20 0 DFADMP CCc1cccc(OCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662317195 431044736 /nfs/dbraw/zinc/04/47/36/431044736.db2.gz NMYWZQGFHXAPEF-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP CCc1cccc(OCC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662317195 431044739 /nfs/dbraw/zinc/04/47/39/431044739.db2.gz NMYWZQGFHXAPEF-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP CO[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662325910 431045871 /nfs/dbraw/zinc/04/58/71/431045871.db2.gz LDWVDNIOHLUOSP-MSOLQXFVSA-N 2 1 312.498 2.624 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000662325878 431047259 /nfs/dbraw/zinc/04/72/59/431047259.db2.gz RWYBDMRUTFLBCU-YLJYHZDGSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C1 ZINC000649288295 431057169 /nfs/dbraw/zinc/05/71/69/431057169.db2.gz IZTORSVTYXIMIN-CWRNSKLLSA-N 2 1 301.434 2.594 20 0 DFADMP C[N@@H+](CCN1CCC[C@H]1[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000649296961 431060104 /nfs/dbraw/zinc/06/01/04/431060104.db2.gz VIHGIIDKFIERQZ-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](CCN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000649296961 431060109 /nfs/dbraw/zinc/06/01/09/431060109.db2.gz VIHGIIDKFIERQZ-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](CCN1CCC[C@H]1[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000649296961 431060112 /nfs/dbraw/zinc/06/01/12/431060112.db2.gz VIHGIIDKFIERQZ-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCC(C)(C)[NH3+])c1 ZINC000649306921 431063452 /nfs/dbraw/zinc/06/34/52/431063452.db2.gz ZPCBAUBNSJUJBE-UHFFFAOYSA-N 2 1 305.466 2.661 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])c2C1 ZINC000649313013 431065060 /nfs/dbraw/zinc/06/50/60/431065060.db2.gz XVSKYWGGVBEBIV-DZGCQCFKSA-N 2 1 301.434 2.726 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@H]3C[NH3+])c2C1 ZINC000649313013 431065064 /nfs/dbraw/zinc/06/50/64/431065064.db2.gz XVSKYWGGVBEBIV-DZGCQCFKSA-N 2 1 301.434 2.726 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2CCC([NH3+])CC2)C1 ZINC000649331820 431067511 /nfs/dbraw/zinc/06/75/11/431067511.db2.gz YVCXMPGPSXZUKI-FHERZECASA-N 2 1 309.498 2.521 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000662247326 431012627 /nfs/dbraw/zinc/01/26/27/431012627.db2.gz XBWAFFJWHVBAOW-ZFWWWQNUSA-N 2 1 315.417 2.909 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000662247326 431012633 /nfs/dbraw/zinc/01/26/33/431012633.db2.gz XBWAFFJWHVBAOW-ZFWWWQNUSA-N 2 1 315.417 2.909 20 0 DFADMP C[C@@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249022 431013285 /nfs/dbraw/zinc/01/32/85/431013285.db2.gz NJVKTWBJWXJDPF-ZFWWWQNUSA-N 2 1 300.402 2.947 20 0 DFADMP CCc1ccc(C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250972 431015026 /nfs/dbraw/zinc/01/50/26/431015026.db2.gz UMDAQRBWHRXOKK-SFHVURJKSA-N 2 1 300.446 2.734 20 0 DFADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)C12CCCCC2 ZINC000662255718 431015057 /nfs/dbraw/zinc/01/50/57/431015057.db2.gz DPZQMHRLBWTBNX-IXDOHACOSA-N 2 1 322.493 2.567 20 0 DFADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251136 431015558 /nfs/dbraw/zinc/01/55/58/431015558.db2.gz ZVFMXXXNLQINFA-CVEARBPZSA-N 2 1 306.837 2.998 20 0 DFADMP C[C@@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257833 431017980 /nfs/dbraw/zinc/01/79/80/431017980.db2.gz RMGFDLPMXOZMES-RBUKOAKNSA-N 2 1 314.473 2.852 20 0 DFADMP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258508 431019047 /nfs/dbraw/zinc/01/90/47/431019047.db2.gz VOALQPCFQNFXJG-WBVHZDCISA-N 2 1 316.445 2.743 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000655756687 431116435 /nfs/dbraw/zinc/11/64/35/431116435.db2.gz WAFAOEXUZPQEPP-UHFFFAOYSA-N 2 1 314.408 2.671 20 0 DFADMP Cc1cnc([C@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000655754477 431117911 /nfs/dbraw/zinc/11/79/11/431117911.db2.gz WSUNQGPWKKFVCU-CZUORRHYSA-N 2 1 323.506 2.788 20 0 DFADMP c1ccc(CC2([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655757407 431119876 /nfs/dbraw/zinc/11/98/76/431119876.db2.gz RQLUQTKYPMPYME-LJQANCHMSA-N 2 1 314.473 2.995 20 0 DFADMP Clc1cccc2c1C[C@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000666117706 431121177 /nfs/dbraw/zinc/12/11/77/431121177.db2.gz LWIZEHLXXZOVGP-ZIAGYGMSSA-N 2 1 301.821 2.998 20 0 DFADMP FC1(F)CCC[C@@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655763112 431122737 /nfs/dbraw/zinc/12/27/37/431122737.db2.gz LFRRRXZMHZGNJM-HIFRSBDPSA-N 2 1 302.409 2.655 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000645942235 431123868 /nfs/dbraw/zinc/12/38/68/431123868.db2.gz ZVBZYRRCZNEBBK-IRXDYDNUSA-N 2 1 318.465 2.653 20 0 DFADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000645941456 431123927 /nfs/dbraw/zinc/12/39/27/431123927.db2.gz NDGMSRPRJOXKII-RCCFBDPRSA-N 2 1 315.461 2.552 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000649340911 431072146 /nfs/dbraw/zinc/07/21/46/431072146.db2.gz AMILREJCCAWCOT-CJNGLKHVSA-N 2 1 323.506 2.765 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000652523575 431080215 /nfs/dbraw/zinc/08/02/15/431080215.db2.gz UUNKCFZDTXXNQI-GOSISDBHSA-N 2 1 319.493 2.774 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000655683894 431081095 /nfs/dbraw/zinc/08/10/95/431081095.db2.gz XCPUSCKPXHDIPI-CRAIPNDOSA-N 2 1 320.502 2.893 20 0 DFADMP c1ccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655683588 431081310 /nfs/dbraw/zinc/08/13/10/431081310.db2.gz IBLFIGVWDDTHGY-LJQANCHMSA-N 2 1 302.462 2.852 20 0 DFADMP c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655683611 431081450 /nfs/dbraw/zinc/08/14/50/431081450.db2.gz IULLKOTWTNEKIV-KRWDZBQOSA-N 2 1 313.445 2.553 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000649378330 431081611 /nfs/dbraw/zinc/08/16/11/431081611.db2.gz YHWZNJLOHNNTLQ-BPQIPLTHSA-N 2 1 321.509 2.617 20 0 DFADMP C(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)COC1CCCCC1 ZINC000655692078 431084810 /nfs/dbraw/zinc/08/48/10/431084810.db2.gz DLTSKADSYIIICV-QGZVFWFLSA-N 2 1 310.482 2.569 20 0 DFADMP Fc1cccc(F)c1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655694997 431085962 /nfs/dbraw/zinc/08/59/62/431085962.db2.gz NSMWMINARVYCHY-HNNXBMFYSA-N 2 1 324.415 2.740 20 0 DFADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000655698611 431087715 /nfs/dbraw/zinc/08/77/15/431087715.db2.gz NNHFQDKTCDYWLP-QZTJIDSGSA-N 2 1 302.462 2.727 20 0 DFADMP Cc1cc(C)cc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655702227 431089317 /nfs/dbraw/zinc/08/93/17/431089317.db2.gz ZYXHHFSZGSRDTP-GOSISDBHSA-N 2 1 318.461 2.525 20 0 DFADMP c1ccc2c(c1)CC[C@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655711826 431093223 /nfs/dbraw/zinc/09/32/23/431093223.db2.gz NLNSMNIKSUCGMO-PKOBYXMFSA-N 2 1 314.473 2.949 20 0 DFADMP C[N@H+](CCc1c(F)cccc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000645866431 431095044 /nfs/dbraw/zinc/09/50/44/431095044.db2.gz WJZDKXWBUCPOLR-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1c(F)cccc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000645866431 431095050 /nfs/dbraw/zinc/09/50/50/431095050.db2.gz WJZDKXWBUCPOLR-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP CN(CCC[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000645865895 431095121 /nfs/dbraw/zinc/09/51/21/431095121.db2.gz GNJXPLNQSBDLEL-QGZVFWFLSA-N 2 1 312.461 2.904 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000645865895 431095129 /nfs/dbraw/zinc/09/51/29/431095129.db2.gz GNJXPLNQSBDLEL-QGZVFWFLSA-N 2 1 312.461 2.904 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccs1 ZINC000655715284 431096756 /nfs/dbraw/zinc/09/67/56/431096756.db2.gz IUBMXMHXZOORHE-OAHLLOKOSA-N 2 1 308.491 2.869 20 0 DFADMP CC(C)[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000655722082 431099958 /nfs/dbraw/zinc/09/99/58/431099958.db2.gz WLBUDRWXNORHFE-MOPGFXCFSA-N 2 1 317.477 2.664 20 0 DFADMP Fc1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1F ZINC000655727823 431104226 /nfs/dbraw/zinc/10/42/26/431104226.db2.gz QPDXXYNYTCORMB-MRXNPFEDSA-N 2 1 324.415 2.740 20 0 DFADMP c1cncc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000655737980 431107692 /nfs/dbraw/zinc/10/76/92/431107692.db2.gz SNVVRHQPYRUCEA-RBUKOAKNSA-N 2 1 315.461 2.766 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CCN(C[C@@H]2CCC[NH+]2C)CC1 ZINC000649506620 431129853 /nfs/dbraw/zinc/12/98/53/431129853.db2.gz SNLXBYUHOGKUBP-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](Cc1ccccc1)CC1CCN(C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000649506620 431129861 /nfs/dbraw/zinc/12/98/61/431129861.db2.gz SNLXBYUHOGKUBP-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](Cc1ccccc1)CC1CCN(C[C@@H]2CCC[N@H+]2C)CC1 ZINC000649506620 431129869 /nfs/dbraw/zinc/12/98/69/431129869.db2.gz SNLXBYUHOGKUBP-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP CN1CCC[C@H]1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000649506620 431129873 /nfs/dbraw/zinc/12/98/73/431129873.db2.gz SNLXBYUHOGKUBP-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP CN1CCC[C@H]1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000649506620 431129882 /nfs/dbraw/zinc/12/98/82/431129882.db2.gz SNLXBYUHOGKUBP-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000370422768 279025636 /nfs/dbraw/zinc/02/56/36/279025636.db2.gz SGNHAVWSDZZADM-RNIPGJKVSA-N 2 1 317.477 2.930 20 0 DFADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)c1 ZINC000370422768 279025638 /nfs/dbraw/zinc/02/56/38/279025638.db2.gz SGNHAVWSDZZADM-RNIPGJKVSA-N 2 1 317.477 2.930 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1(O)CCCC1 ZINC000655773988 431133525 /nfs/dbraw/zinc/13/35/25/431133525.db2.gz MUGUKDNRNUVEKJ-KRWDZBQOSA-N 2 1 324.509 2.551 20 0 DFADMP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655777425 431134076 /nfs/dbraw/zinc/13/40/76/431134076.db2.gz UROXQXAKEGSBOL-HHXXYDBFSA-N 2 1 318.436 2.915 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000645986418 431138490 /nfs/dbraw/zinc/13/84/90/431138490.db2.gz OEEFVJTXCMYLAO-LJQANCHMSA-N 2 1 313.445 2.855 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CCC1 ZINC000645986418 431138498 /nfs/dbraw/zinc/13/84/98/431138498.db2.gz OEEFVJTXCMYLAO-LJQANCHMSA-N 2 1 313.445 2.855 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000655788495 431140310 /nfs/dbraw/zinc/14/03/10/431140310.db2.gz JVAZDSDQRFCLIE-WMZOPIPTSA-N 2 1 317.477 2.544 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000655788493 431140395 /nfs/dbraw/zinc/14/03/95/431140395.db2.gz JVAZDSDQRFCLIE-FUHWJXTLSA-N 2 1 317.477 2.544 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000186999423 279356462 /nfs/dbraw/zinc/35/64/62/279356462.db2.gz VUSXSYBXEUMTES-INIZCTEOSA-N 2 1 313.555 2.525 20 0 DFADMP CCN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662693870 431165422 /nfs/dbraw/zinc/16/54/22/431165422.db2.gz MKUQPRJFOBIGMI-DOTOQJQBSA-N 2 1 315.461 2.552 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CCO)c1ccccc1F ZINC000646069758 431169562 /nfs/dbraw/zinc/16/95/62/431169562.db2.gz WHINBOIZDKKYAY-KRWDZBQOSA-N 2 1 305.397 2.824 20 0 DFADMP Cc1occc1C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000666262641 431170160 /nfs/dbraw/zinc/17/01/60/431170160.db2.gz CGEPPIKAJHPLIH-MRXNPFEDSA-N 2 1 300.406 2.753 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659897596 431176943 /nfs/dbraw/zinc/17/69/43/431176943.db2.gz YKXPRKYJYZCOOI-SJLPKXTDSA-N 2 1 316.489 2.884 20 0 DFADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000662729578 431178027 /nfs/dbraw/zinc/17/80/27/431178027.db2.gz MJLWINKNZAYXRD-MSOLQXFVSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655838335 431180001 /nfs/dbraw/zinc/18/00/01/431180001.db2.gz AEMZWMNWDGLMBL-ULQDDVLXSA-N 2 1 310.482 2.566 20 0 DFADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000659912117 431182491 /nfs/dbraw/zinc/18/24/91/431182491.db2.gz GJNFRHMTUMMLCY-FUHWJXTLSA-N 2 1 322.493 2.649 20 0 DFADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000659912117 431182498 /nfs/dbraw/zinc/18/24/98/431182498.db2.gz GJNFRHMTUMMLCY-FUHWJXTLSA-N 2 1 322.493 2.649 20 0 DFADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000659912117 431182502 /nfs/dbraw/zinc/18/25/02/431182502.db2.gz GJNFRHMTUMMLCY-FUHWJXTLSA-N 2 1 322.493 2.649 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cc(C)nc(C)n3)C2)c1 ZINC000659906731 431183864 /nfs/dbraw/zinc/18/38/64/431183864.db2.gz OWQKAWSCVYDIPI-INIZCTEOSA-N 2 1 311.433 2.731 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662745329 431184588 /nfs/dbraw/zinc/18/45/88/431184588.db2.gz LYWSZXABKNICOU-FUHWJXTLSA-N 2 1 315.461 2.554 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000655851599 431187631 /nfs/dbraw/zinc/18/76/31/431187631.db2.gz ZIBPASFQNQGMCM-PQEBFOHHSA-N 2 1 316.445 2.981 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc(C(F)F)cc1)CCO2 ZINC000646106431 431190336 /nfs/dbraw/zinc/19/03/36/431190336.db2.gz YJEZRKIMNBYTLB-UHFFFAOYSA-N 2 1 310.388 2.921 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603423 431191520 /nfs/dbraw/zinc/19/15/20/431191520.db2.gz MALNQVFUCZEVBT-NVXWUHKLSA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603423 431191524 /nfs/dbraw/zinc/19/15/24/431191524.db2.gz MALNQVFUCZEVBT-NVXWUHKLSA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603423 431191529 /nfs/dbraw/zinc/19/15/29/431191529.db2.gz MALNQVFUCZEVBT-NVXWUHKLSA-N 2 1 310.507 2.827 20 0 DFADMP C[N@H+]1CCC[C@H]1CN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000649610031 431194084 /nfs/dbraw/zinc/19/40/84/431194084.db2.gz GECLODSEQYPMSA-PMACEKPBSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC[C@H]1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000649610031 431194093 /nfs/dbraw/zinc/19/40/93/431194093.db2.gz GECLODSEQYPMSA-PMACEKPBSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC[C@H]1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649610031 431194096 /nfs/dbraw/zinc/19/40/96/431194096.db2.gz GECLODSEQYPMSA-PMACEKPBSA-N 2 1 313.489 2.679 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCC[N@@H+]3C)CC2)s1 ZINC000649537495 431146645 /nfs/dbraw/zinc/14/66/45/431146645.db2.gz IIFIXGRFHOUAEH-OAHLLOKOSA-N 2 1 307.507 2.522 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000649537495 431146652 /nfs/dbraw/zinc/14/66/52/431146652.db2.gz IIFIXGRFHOUAEH-OAHLLOKOSA-N 2 1 307.507 2.522 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667416 431156007 /nfs/dbraw/zinc/15/60/07/431156007.db2.gz AAJXHNIHYQBZJG-GDBMZVCRSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000662668485 431157891 /nfs/dbraw/zinc/15/78/91/431157891.db2.gz NIEDKFLMMOKDLA-PBHICJAKSA-N 2 1 315.461 2.843 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCCC3(C)C)CC2)C1 ZINC000660074803 431257705 /nfs/dbraw/zinc/25/77/05/431257705.db2.gz QMAFGRSGJCZGEQ-MSOLQXFVSA-N 2 1 307.526 2.915 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000662839013 431212712 /nfs/dbraw/zinc/21/27/12/431212712.db2.gz OJLLCCNOXGWLJZ-SQNIBIBYSA-N 2 1 315.461 2.600 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000354065520 279493802 /nfs/dbraw/zinc/49/38/02/279493802.db2.gz RBYZGEOXUKUIFB-CGTJXYLNSA-N 2 1 323.525 2.780 20 0 DFADMP COc1ccc(F)c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000646165489 431214520 /nfs/dbraw/zinc/21/45/20/431214520.db2.gz ACSQDXXGJMLCAK-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(F)c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000646165489 431214526 /nfs/dbraw/zinc/21/45/26/431214526.db2.gz ACSQDXXGJMLCAK-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655907682 431215034 /nfs/dbraw/zinc/21/50/34/431215034.db2.gz MDJQYBKNKGKIEG-SJORKVTESA-N 2 1 316.449 2.544 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000646175254 431216892 /nfs/dbraw/zinc/21/68/92/431216892.db2.gz PIXSKSATZZIDDI-GUYCJALGSA-N 2 1 314.433 2.731 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659979502 431218853 /nfs/dbraw/zinc/21/88/53/431218853.db2.gz MJWYYNFIWVRMGR-ZWKOTPCHSA-N 2 1 312.498 2.624 20 0 DFADMP Cc1sccc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646196919 431224383 /nfs/dbraw/zinc/22/43/83/431224383.db2.gz CXMYQEPLTXFFIS-QGZVFWFLSA-N 2 1 307.507 2.657 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000655948034 431225753 /nfs/dbraw/zinc/22/57/53/431225753.db2.gz WHTFFUMQAMQNLL-VQIMIIECSA-N 2 1 318.461 2.771 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C1CC1)[C@H]1CCc2ccccc21 ZINC000660035841 431242574 /nfs/dbraw/zinc/24/25/74/431242574.db2.gz DEEVQBNOOCXAMD-MJGOQNOKSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)[C@H]1CCc2ccccc21 ZINC000660035841 431242580 /nfs/dbraw/zinc/24/25/80/431242580.db2.gz DEEVQBNOOCXAMD-MJGOQNOKSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000660035841 431242585 /nfs/dbraw/zinc/24/25/85/431242585.db2.gz DEEVQBNOOCXAMD-MJGOQNOKSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000660035841 431242595 /nfs/dbraw/zinc/24/25/95/431242595.db2.gz DEEVQBNOOCXAMD-MJGOQNOKSA-N 2 1 302.462 2.839 20 0 DFADMP CCc1nocc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000646261809 431243960 /nfs/dbraw/zinc/24/39/60/431243960.db2.gz YNPFIPWQIAALPG-UHFFFAOYSA-N 2 1 317.433 2.809 20 0 DFADMP CCc1nocc1C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000646261809 431243967 /nfs/dbraw/zinc/24/39/67/431243967.db2.gz YNPFIPWQIAALPG-UHFFFAOYSA-N 2 1 317.433 2.809 20 0 DFADMP COc1ccc(C)cc1C[NH+]1CCN(CC[NH2+]C(C)(C)C)CC1 ZINC000666616057 431296971 /nfs/dbraw/zinc/29/69/71/431296971.db2.gz DOCHNNVDUHIRKQ-UHFFFAOYSA-N 2 1 319.493 2.509 20 0 DFADMP C[C@H]1C[C@@H](Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[N@@H+]1C ZINC000656128721 431273780 /nfs/dbraw/zinc/27/37/80/431273780.db2.gz DDIIZIQPKHHHQE-GJZGRUSLSA-N 2 1 317.481 2.998 20 0 DFADMP C[C@H]1C[C@@H](Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[N@H+]1C ZINC000656128721 431273786 /nfs/dbraw/zinc/27/37/86/431273786.db2.gz DDIIZIQPKHHHQE-GJZGRUSLSA-N 2 1 317.481 2.998 20 0 DFADMP COc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)sn1 ZINC000660114289 431274746 /nfs/dbraw/zinc/27/47/46/431274746.db2.gz GMJZULKXTOWTOF-IUODEOHRSA-N 2 1 307.463 2.600 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](NCc2nc(C)oc2C)[C@H](C)C1 ZINC000660303946 431368774 /nfs/dbraw/zinc/36/87/74/431368774.db2.gz AAXNZCHNSPHSKO-CZUORRHYSA-N 2 1 309.454 2.518 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](NCc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000660304036 431369948 /nfs/dbraw/zinc/36/99/48/431369948.db2.gz BSACWCVVHPVIRE-YOEHRIQHSA-N 2 1 321.465 2.779 20 0 DFADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C[C@@H]1Cc1ccccc1 ZINC000649828808 431321111 /nfs/dbraw/zinc/32/11/11/431321111.db2.gz TYQKMIAWSMINGY-IBGZPJMESA-N 2 1 303.494 2.577 20 0 DFADMP C[N@H+](Cc1cnc2ccccc2n1)C[C@H]1CCn2ccnc2C1 ZINC000660421045 431421820 /nfs/dbraw/zinc/42/18/20/431421820.db2.gz XLKMCZGPFLWLAS-AWEZNQCLSA-N 2 1 307.401 2.521 20 0 DFADMP C[N@H+](Cc1cnc2ccccc2n1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000660421045 431421831 /nfs/dbraw/zinc/42/18/31/431421831.db2.gz XLKMCZGPFLWLAS-AWEZNQCLSA-N 2 1 307.401 2.521 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345337 431375089 /nfs/dbraw/zinc/37/50/89/431375089.db2.gz IQGCDRDVPIHKFQ-INIZCTEOSA-N 2 1 318.509 2.757 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345337 431375096 /nfs/dbraw/zinc/37/50/96/431375096.db2.gz IQGCDRDVPIHKFQ-INIZCTEOSA-N 2 1 318.509 2.757 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c2c(c1)OCCO2 ZINC000663347584 431376851 /nfs/dbraw/zinc/37/68/51/431376851.db2.gz PJHLAHYRPKXZIO-MRXNPFEDSA-N 2 1 316.445 2.669 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c2c(c1)OCCO2 ZINC000663347584 431376858 /nfs/dbraw/zinc/37/68/58/431376858.db2.gz PJHLAHYRPKXZIO-MRXNPFEDSA-N 2 1 316.445 2.669 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347726 431377974 /nfs/dbraw/zinc/37/79/74/431377974.db2.gz UCCJMHVVZOYOOC-HNNXBMFYSA-N 2 1 304.482 2.919 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347726 431377981 /nfs/dbraw/zinc/37/79/81/431377981.db2.gz UCCJMHVVZOYOOC-HNNXBMFYSA-N 2 1 304.482 2.919 20 0 DFADMP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334609 431385405 /nfs/dbraw/zinc/38/54/05/431385405.db2.gz OIIKYOZRMLVIRG-YRPNKDGESA-N 2 1 314.473 2.601 20 0 DFADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334609 431385411 /nfs/dbraw/zinc/38/54/11/431385411.db2.gz OIIKYOZRMLVIRG-YRPNKDGESA-N 2 1 314.473 2.601 20 0 DFADMP C[NH+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334609 431385414 /nfs/dbraw/zinc/38/54/14/431385414.db2.gz OIIKYOZRMLVIRG-YRPNKDGESA-N 2 1 314.473 2.601 20 0 DFADMP C[NH+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334609 431385421 /nfs/dbraw/zinc/38/54/21/431385421.db2.gz OIIKYOZRMLVIRG-YRPNKDGESA-N 2 1 314.473 2.601 20 0 DFADMP C[C@@H]1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C[C@@H]1C[NH3+] ZINC000653472461 431392811 /nfs/dbraw/zinc/39/28/11/431392811.db2.gz QUGVDNTUFNALDY-CABCVRRESA-N 2 1 317.481 2.524 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666878590 431392866 /nfs/dbraw/zinc/39/28/66/431392866.db2.gz TZITVPRXSNTQJB-CXAGYDPISA-N 2 1 318.852 2.672 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+]C3CC[NH+](C4CC4)CC3)c2c1 ZINC000656499635 431410989 /nfs/dbraw/zinc/41/09/89/431410989.db2.gz PCRFKQYXQVOORH-UHFFFAOYSA-N 2 1 313.445 2.935 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993875 431437882 /nfs/dbraw/zinc/43/78/82/431437882.db2.gz QKIXKMZJHLNMAD-AWEZNQCLSA-N 2 1 314.458 2.969 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666993733 431438366 /nfs/dbraw/zinc/43/83/66/431438366.db2.gz GPFQEOBIPRKIML-MRXNPFEDSA-N 2 1 302.466 2.691 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc1 ZINC000666993882 431438949 /nfs/dbraw/zinc/43/89/49/431438949.db2.gz QQDHIWFYIKMNIP-OAHLLOKOSA-N 2 1 314.408 2.776 20 0 DFADMP c1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c2c(c1)OCCCO2 ZINC000666998499 431439563 /nfs/dbraw/zinc/43/95/63/431439563.db2.gz XKAOZKOLOUSQNH-HNNXBMFYSA-N 2 1 302.418 2.612 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666998186 431439714 /nfs/dbraw/zinc/43/97/14/431439714.db2.gz HAFKFPDZMSSMIB-ZDUSSCGKSA-N 2 1 308.495 2.754 20 0 DFADMP c1cc(CCC[N@H+]2CCC[C@H](N3CCOCC3)CC2)cs1 ZINC000660476657 431451286 /nfs/dbraw/zinc/45/12/86/431451286.db2.gz DOFCLOLVMNEZKT-KRWDZBQOSA-N 2 1 308.491 2.867 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000667039017 431454752 /nfs/dbraw/zinc/45/47/52/431454752.db2.gz GDZXQOQYFNFLOR-HIFRSBDPSA-N 2 1 314.433 2.502 20 0 DFADMP O[C@@H]1CCC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660436098 431427985 /nfs/dbraw/zinc/42/79/85/431427985.db2.gz PSSXMBBGOQHTCY-CRAIPNDOSA-N 2 1 317.477 2.950 20 0 DFADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C[C@H]2C1 ZINC000663463652 431428062 /nfs/dbraw/zinc/42/80/62/431428062.db2.gz AQPBKDOSYUZHBZ-QXCZDIPSSA-N 2 1 306.494 2.902 20 0 DFADMP c1cc2cc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)ccc2cn1 ZINC000666977366 431431974 /nfs/dbraw/zinc/43/19/74/431431974.db2.gz APBWBFMAIDZBDG-UHFFFAOYSA-N 2 1 324.472 2.541 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467209 431432518 /nfs/dbraw/zinc/43/25/18/431432518.db2.gz DSCPWQXKTWZUNF-DOTOQJQBSA-N 2 1 302.466 2.509 20 0 DFADMP O[C@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445267 431433974 /nfs/dbraw/zinc/43/39/74/431433974.db2.gz APMPMUSWMLVBEY-ZRNYENFQSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@H]1CCC[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445267 431433980 /nfs/dbraw/zinc/43/39/80/431433980.db2.gz APMPMUSWMLVBEY-ZRNYENFQSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@H]1CCC[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445267 431433984 /nfs/dbraw/zinc/43/39/84/431433984.db2.gz APMPMUSWMLVBEY-ZRNYENFQSA-N 2 1 314.473 2.601 20 0 DFADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785154 431522232 /nfs/dbraw/zinc/52/22/32/431522232.db2.gz JQWSKTDOPMOKHK-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCSC2)cc1 ZINC000656790252 431525048 /nfs/dbraw/zinc/52/50/48/431525048.db2.gz MDDMRJBBCCAFKE-JLSDUUJJSA-N 2 1 320.502 2.874 20 0 DFADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000656789092 431525749 /nfs/dbraw/zinc/52/57/49/431525749.db2.gz IVFLGRUFZBUFNN-AEFFLSMTSA-N 2 1 301.478 2.901 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc3ccccn23)[C@H](c2ccccc2)C1 ZINC000647248798 431526937 /nfs/dbraw/zinc/52/69/37/431526937.db2.gz GAXLRYJVOIEUKT-MJGOQNOKSA-N 2 1 320.440 2.769 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc3nccn32)[C@H](c2ccccc2)C1 ZINC000647248993 431529139 /nfs/dbraw/zinc/52/91/39/431529139.db2.gz WGZISJNZJPXESN-MJGOQNOKSA-N 2 1 320.440 2.769 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647159245 431486936 /nfs/dbraw/zinc/48/69/36/431486936.db2.gz SRPWKHQMYHJVFZ-LBPRGKRZSA-N 2 1 311.389 2.758 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000656708398 431488424 /nfs/dbraw/zinc/48/84/24/431488424.db2.gz DJPXPVMLFTWHRT-HCXYKTFWSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000656708398 431488432 /nfs/dbraw/zinc/48/84/32/431488432.db2.gz DJPXPVMLFTWHRT-HCXYKTFWSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000660651874 431532238 /nfs/dbraw/zinc/53/22/38/431532238.db2.gz DMMNKMPMLGFMKS-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000660651874 431532251 /nfs/dbraw/zinc/53/22/51/431532251.db2.gz DMMNKMPMLGFMKS-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000660651874 431532257 /nfs/dbraw/zinc/53/22/57/431532257.db2.gz DMMNKMPMLGFMKS-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000647186456 431503182 /nfs/dbraw/zinc/50/31/82/431503182.db2.gz MWJQAYGBRINSQV-WFASDCNBSA-N 2 1 302.422 2.561 20 0 DFADMP Cc1cc(CO)cc(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000663711411 431509008 /nfs/dbraw/zinc/50/90/08/431509008.db2.gz KWWBFEOJXVGONW-YJBOKZPZSA-N 2 1 311.429 2.957 20 0 DFADMP Cc1cc(CO)cc(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000663711408 431509660 /nfs/dbraw/zinc/50/96/60/431509660.db2.gz KWWBFEOJXVGONW-CRAIPNDOSA-N 2 1 311.429 2.957 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000647343908 431558476 /nfs/dbraw/zinc/55/84/76/431558476.db2.gz FSKVJLJXCXNMGH-YRXWBPOGSA-N 2 1 302.462 2.737 20 0 DFADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344144 431558865 /nfs/dbraw/zinc/55/88/65/431558865.db2.gz KBJLKYWZOLXXGE-GYFISPQKSA-N 2 1 316.489 2.981 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCc1ccc3c(c1)CCO3)C2 ZINC000660659323 431534031 /nfs/dbraw/zinc/53/40/31/431534031.db2.gz OCXFLORAKIWUKO-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000660659323 431534039 /nfs/dbraw/zinc/53/40/39/431534039.db2.gz OCXFLORAKIWUKO-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000660659323 431534045 /nfs/dbraw/zinc/53/40/45/431534045.db2.gz OCXFLORAKIWUKO-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660662414 431538787 /nfs/dbraw/zinc/53/87/87/431538787.db2.gz KAIKANAVIDGEKM-ORUDLHBZSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660662414 431538795 /nfs/dbraw/zinc/53/87/95/431538795.db2.gz KAIKANAVIDGEKM-ORUDLHBZSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660662414 431538799 /nfs/dbraw/zinc/53/87/99/431538799.db2.gz KAIKANAVIDGEKM-ORUDLHBZSA-N 2 1 315.461 2.911 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000660665019 431539504 /nfs/dbraw/zinc/53/95/04/431539504.db2.gz LCEHPEHHRBAXCN-OAHLLOKOSA-N 2 1 323.431 2.961 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660665019 431539510 /nfs/dbraw/zinc/53/95/10/431539510.db2.gz LCEHPEHHRBAXCN-OAHLLOKOSA-N 2 1 323.431 2.961 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660665019 431539515 /nfs/dbraw/zinc/53/95/15/431539515.db2.gz LCEHPEHHRBAXCN-OAHLLOKOSA-N 2 1 323.431 2.961 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660665019 431539522 /nfs/dbraw/zinc/53/95/22/431539522.db2.gz LCEHPEHHRBAXCN-OAHLLOKOSA-N 2 1 323.431 2.961 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660665019 431539526 /nfs/dbraw/zinc/53/95/26/431539526.db2.gz LCEHPEHHRBAXCN-OAHLLOKOSA-N 2 1 323.431 2.961 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647284725 431540271 /nfs/dbraw/zinc/54/02/71/431540271.db2.gz BNAHLEWQEGJJGX-GOSISDBHSA-N 2 1 305.466 2.869 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)NCc1cccs1 ZINC000647332897 431551826 /nfs/dbraw/zinc/55/18/26/431551826.db2.gz HFXODPGCBZRNKK-INIZCTEOSA-N 2 1 323.506 2.605 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)cn1 ZINC000647479424 431602102 /nfs/dbraw/zinc/60/21/02/431602102.db2.gz GMNBIJRAWOEXMQ-YOEHRIQHSA-N 2 1 316.474 2.898 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000647479745 431604243 /nfs/dbraw/zinc/60/42/43/431604243.db2.gz RRERCJADIZCFOB-GDBMZVCRSA-N 2 1 314.433 2.942 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000647479745 431604249 /nfs/dbraw/zinc/60/42/49/431604249.db2.gz RRERCJADIZCFOB-GDBMZVCRSA-N 2 1 314.433 2.942 20 0 DFADMP c1cc(C[NH2+]CCCN2CCc3ccccc3C2)n(CC2CC2)n1 ZINC000657297585 431654675 /nfs/dbraw/zinc/65/46/75/431654675.db2.gz KWPHJDXOFFRRFE-UHFFFAOYSA-N 2 1 324.472 2.831 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650705226 431655061 /nfs/dbraw/zinc/65/50/61/431655061.db2.gz ABFMFKBZSVBVAE-LNLFQRSKSA-N 2 1 318.461 2.722 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1CC[NH3+] ZINC000650711022 431655955 /nfs/dbraw/zinc/65/59/55/431655955.db2.gz GMEUWSNIUWVHON-APWZRJJASA-N 3 1 319.493 2.576 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708984 431657527 /nfs/dbraw/zinc/65/75/27/431657527.db2.gz XSPOLHAEFUENRB-RLFYNMQTSA-N 2 1 322.424 2.553 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cn1 ZINC000650712056 431659774 /nfs/dbraw/zinc/65/97/74/431659774.db2.gz PCGWHCSVJRFKPU-NVXWUHKLSA-N 2 1 304.482 2.876 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)o1 ZINC000647496491 431606297 /nfs/dbraw/zinc/60/62/97/431606297.db2.gz LFVDFNOTKWRRAL-KBPBESRZSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[C@H]1[NH3+] ZINC000647499018 431610516 /nfs/dbraw/zinc/61/05/16/431610516.db2.gz WYZRSBNXSMQRJW-NZSAHSFTSA-N 2 1 318.461 2.804 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000647515628 431612670 /nfs/dbraw/zinc/61/26/70/431612670.db2.gz SKYZVTADYJOJQM-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000660829746 431617408 /nfs/dbraw/zinc/61/74/08/431617408.db2.gz GKZWZDMKXWBJGU-RBUKOAKNSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000660829746 431617414 /nfs/dbraw/zinc/61/74/14/431617414.db2.gz GKZWZDMKXWBJGU-RBUKOAKNSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000660829746 431617419 /nfs/dbraw/zinc/61/74/19/431617419.db2.gz GKZWZDMKXWBJGU-RBUKOAKNSA-N 2 1 322.468 2.924 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000647533547 431619619 /nfs/dbraw/zinc/61/96/19/431619619.db2.gz UIJQPPTUIJUZAA-OALUTQOASA-N 2 1 315.505 2.828 20 0 DFADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542754 431621599 /nfs/dbraw/zinc/62/15/99/431621599.db2.gz BKZNNZLHYLIWPV-KGLIPLIRSA-N 2 1 305.491 2.843 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000660840561 431623248 /nfs/dbraw/zinc/62/32/48/431623248.db2.gz YWUONDTXTNODTF-ROUUACIJSA-N 2 1 304.478 2.956 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000660840561 431623252 /nfs/dbraw/zinc/62/32/52/431623252.db2.gz YWUONDTXTNODTF-ROUUACIJSA-N 2 1 304.478 2.956 20 0 DFADMP Fc1cccn2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)nc12 ZINC000647543751 431623984 /nfs/dbraw/zinc/62/39/84/431623984.db2.gz RPKKHWNNXBSEJZ-HUUCEWRRSA-N 2 1 316.424 2.685 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543316 431624340 /nfs/dbraw/zinc/62/43/40/431624340.db2.gz KXMJTOTVCOIHPM-ZWKOTPCHSA-N 2 1 316.493 2.749 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543911 431625900 /nfs/dbraw/zinc/62/59/00/431625900.db2.gz UJGUOSIYLMFBOP-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP Cc1cccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC000647543101 431626007 /nfs/dbraw/zinc/62/60/07/431626007.db2.gz HRQCFMRTTCARBE-DLBZAZTESA-N 2 1 312.461 2.854 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)c(F)c1 ZINC000650716540 431661131 /nfs/dbraw/zinc/66/11/31/431661131.db2.gz BLVPKMPFPYDIDM-HKUYNNGSSA-N 2 1 313.420 2.867 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657285901 431648242 /nfs/dbraw/zinc/64/82/42/431648242.db2.gz PEMODOGAHXGWQI-GOSISDBHSA-N 2 1 306.450 2.676 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)c2c1C ZINC000647707537 431664155 /nfs/dbraw/zinc/66/41/55/431664155.db2.gz WQIPPQBHNRCSDG-CVEARBPZSA-N 2 1 321.428 2.753 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)ccc2F)C1 ZINC000650722350 431664578 /nfs/dbraw/zinc/66/45/78/431664578.db2.gz QESRZXQVTFPVIT-DJIMGWMZSA-N 2 1 310.388 2.826 20 0 DFADMP COc1ccsc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723318 431664909 /nfs/dbraw/zinc/66/49/09/431664909.db2.gz LHDPWSLECZTEEZ-GUTXKFCHSA-N 2 1 310.463 2.618 20 0 DFADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722191 431665486 /nfs/dbraw/zinc/66/54/86/431665486.db2.gz MYHYZXSPCDOUNL-QRQLOZEOSA-N 2 1 318.461 2.946 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnn2c1CCC2 ZINC000657308954 431666428 /nfs/dbraw/zinc/66/64/28/431666428.db2.gz ZWVLOSKBZRNTMC-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP COc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650721880 431666605 /nfs/dbraw/zinc/66/66/05/431666605.db2.gz FAHWYICYRCWSDP-JZXOWHBKSA-N 2 1 304.434 2.556 20 0 DFADMP CC[C@@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000654139544 431667380 /nfs/dbraw/zinc/66/73/80/431667380.db2.gz MIVALQJCIHNMHT-OAHLLOKOSA-N 2 1 321.465 2.678 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC[NH2+]C1 ZINC000650724939 431667616 /nfs/dbraw/zinc/66/76/16/431667616.db2.gz PJDYDMWVMWYYHG-VJANTYMQSA-N 2 1 300.446 2.981 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@@H]3O[C@H](c4ccccc4)C[C@@H]32)CC[NH2+]C1 ZINC000650724938 431669043 /nfs/dbraw/zinc/66/90/43/431669043.db2.gz PJDYDMWVMWYYHG-CADBVGFASA-N 2 1 300.446 2.981 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657312918 431670134 /nfs/dbraw/zinc/67/01/34/431670134.db2.gz MDYFZFSNLGWGDD-QRVBRYPASA-N 2 1 316.445 2.571 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000657312918 431670142 /nfs/dbraw/zinc/67/01/42/431670142.db2.gz MDYFZFSNLGWGDD-QRVBRYPASA-N 2 1 316.445 2.571 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657313884 431670226 /nfs/dbraw/zinc/67/02/26/431670226.db2.gz WQIBBFJLZPMKRH-HUUCEWRRSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H](C[NH2+]Cc1c(C2CCC2)cnn1C)C[NH+]1CCCCC1 ZINC000657317156 431672367 /nfs/dbraw/zinc/67/23/67/431672367.db2.gz SCTDRNFAXLELTC-HNNXBMFYSA-N 2 1 304.482 2.899 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2cc3c(cccc3C)[nH]2)CC1 ZINC000657331070 431679586 /nfs/dbraw/zinc/67/95/86/431679586.db2.gz MWAAZQBZXWNPSP-UHFFFAOYSA-N 2 1 301.434 2.677 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CO1 ZINC000657329406 431680110 /nfs/dbraw/zinc/68/01/10/431680110.db2.gz QMTXAZJEBQSVST-CABCVRRESA-N 2 1 303.381 2.977 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1O ZINC000650756022 431681715 /nfs/dbraw/zinc/68/17/15/431681715.db2.gz RUCOHFHUOHCFOW-LLVKDONJSA-N 2 1 304.365 2.849 20 0 DFADMP Cc1ncc(CNCc2ccc(Br)c(F)c2)n1C ZINC000657336977 431682282 /nfs/dbraw/zinc/68/22/82/431682282.db2.gz CNCPFVXATXDEAF-UHFFFAOYSA-N 2 1 312.186 2.920 20 0 DFADMP Brc1cccc(CNCc2cnc3n2CCC3)c1 ZINC000657335543 431683129 /nfs/dbraw/zinc/68/31/29/431683129.db2.gz GLFMEHNNCHFCEV-UHFFFAOYSA-N 2 1 306.207 2.882 20 0 DFADMP c1nc2n(c1CNC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657336277 431683444 /nfs/dbraw/zinc/68/34/44/431683444.db2.gz ZQWCMUVENQDOKW-SFHVURJKSA-N 2 1 324.472 2.831 20 0 DFADMP c1nc2n(c1C[NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657336277 431683451 /nfs/dbraw/zinc/68/34/51/431683451.db2.gz ZQWCMUVENQDOKW-SFHVURJKSA-N 2 1 324.472 2.831 20 0 DFADMP c1nc2n(c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657336277 431683458 /nfs/dbraw/zinc/68/34/58/431683458.db2.gz ZQWCMUVENQDOKW-SFHVURJKSA-N 3 1 324.472 2.831 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000647788388 431686761 /nfs/dbraw/zinc/68/67/61/431686761.db2.gz INQIPBISMLXQNP-FCGDIQPGSA-N 3 1 307.526 2.721 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000647788621 431686805 /nfs/dbraw/zinc/68/68/05/431686805.db2.gz NINXAKLVXNUSHX-MANSERQUSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCCCC1 ZINC000647791291 431687077 /nfs/dbraw/zinc/68/70/77/431687077.db2.gz BOARSGWLIFVKOK-HCXYKTFWSA-N 2 1 307.526 2.865 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncccc1C(F)(F)F ZINC000664197460 431692970 /nfs/dbraw/zinc/69/29/70/431692970.db2.gz XRGBAUGFPAWZLA-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncccc1C(F)(F)F ZINC000664197460 431692977 /nfs/dbraw/zinc/69/29/77/431692977.db2.gz XRGBAUGFPAWZLA-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000647802304 431693204 /nfs/dbraw/zinc/69/32/04/431693204.db2.gz IJKOOHSPRMQCBH-ZDUSSCGKSA-N 2 1 312.417 2.681 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657348343 431693345 /nfs/dbraw/zinc/69/33/45/431693345.db2.gz SGFAXWBYLPJPFD-GFCCVEGCSA-N 2 1 318.387 2.649 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)nn2C)C1 ZINC000657348343 431693354 /nfs/dbraw/zinc/69/33/54/431693354.db2.gz SGFAXWBYLPJPFD-GFCCVEGCSA-N 2 1 318.387 2.649 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc2sccc21 ZINC000664196113 431693594 /nfs/dbraw/zinc/69/35/94/431693594.db2.gz GUVGMFXSPTWLTQ-ZDUSSCGKSA-N 2 1 306.479 2.980 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc2sccc21 ZINC000664196113 431693598 /nfs/dbraw/zinc/69/35/98/431693598.db2.gz GUVGMFXSPTWLTQ-ZDUSSCGKSA-N 2 1 306.479 2.980 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657355860 431697333 /nfs/dbraw/zinc/69/73/33/431697333.db2.gz BUUVQCQXNIKNQY-OAHLLOKOSA-N 2 1 319.474 2.623 20 0 DFADMP Cc1ccc2cc(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)[nH]c2c1 ZINC000657356523 431699451 /nfs/dbraw/zinc/69/94/51/431699451.db2.gz NICQNESUVNTZJM-GOSISDBHSA-N 2 1 315.461 2.803 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4cccc(F)c4)n3)C[C@H]21 ZINC000647907754 431724008 /nfs/dbraw/zinc/72/40/08/431724008.db2.gz PGNZIPWDNZXZMF-FSPWUOQZSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4cccc(F)c4)n3)C[C@H]21 ZINC000647907754 431724013 /nfs/dbraw/zinc/72/40/13/431724013.db2.gz PGNZIPWDNZXZMF-FSPWUOQZSA-N 2 1 314.408 2.571 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000647912546 431726121 /nfs/dbraw/zinc/72/61/21/431726121.db2.gz MSCDZXPURPPAMN-YJBOKZPZSA-N 2 1 303.450 2.824 20 0 DFADMP Cc1ccc(NCc2c[nH+]c3n2CCC3)c(OCC[NH+](C)C)c1 ZINC000657409601 431731321 /nfs/dbraw/zinc/73/13/21/431731321.db2.gz BIPYREUQGJGHFZ-UHFFFAOYSA-N 2 1 314.433 2.690 20 0 DFADMP CC[C@H]1C[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000647936803 431735355 /nfs/dbraw/zinc/73/53/55/431735355.db2.gz LPMNKLMGLUOXEE-VLWBHCEFSA-N 2 1 321.509 2.615 20 0 DFADMP CC[C@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000647936803 431735362 /nfs/dbraw/zinc/73/53/62/431735362.db2.gz LPMNKLMGLUOXEE-VLWBHCEFSA-N 2 1 321.509 2.615 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(F)c2OC(F)F)CC1 ZINC000657427501 431744032 /nfs/dbraw/zinc/74/40/32/431744032.db2.gz PHKAQOSIVWECIA-UHFFFAOYSA-N 2 1 300.324 2.779 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000661137524 431747715 /nfs/dbraw/zinc/74/77/15/431747715.db2.gz QEQDEKHEBJACFS-QZTJIDSGSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661137524 431747720 /nfs/dbraw/zinc/74/77/20/431747720.db2.gz QEQDEKHEBJACFS-QZTJIDSGSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000661137524 431747724 /nfs/dbraw/zinc/74/77/24/431747724.db2.gz QEQDEKHEBJACFS-QZTJIDSGSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000661137524 431747731 /nfs/dbraw/zinc/74/77/31/431747731.db2.gz QEQDEKHEBJACFS-QZTJIDSGSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000661137524 431747735 /nfs/dbraw/zinc/74/77/35/431747735.db2.gz QEQDEKHEBJACFS-QZTJIDSGSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000661137529 431747802 /nfs/dbraw/zinc/74/78/02/431747802.db2.gz QEQDEKHEBJACFS-ROUUACIJSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661137529 431747808 /nfs/dbraw/zinc/74/78/08/431747808.db2.gz QEQDEKHEBJACFS-ROUUACIJSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661137529 431747814 /nfs/dbraw/zinc/74/78/14/431747814.db2.gz QEQDEKHEBJACFS-ROUUACIJSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000661137529 431747820 /nfs/dbraw/zinc/74/78/20/431747820.db2.gz QEQDEKHEBJACFS-ROUUACIJSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000661137529 431747824 /nfs/dbraw/zinc/74/78/24/431747824.db2.gz QEQDEKHEBJACFS-ROUUACIJSA-N 2 1 302.462 2.895 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000657436926 431751029 /nfs/dbraw/zinc/75/10/29/431751029.db2.gz WDAJHTJGOJBCHX-UHFFFAOYSA-N 2 1 304.482 2.899 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647964001 431754417 /nfs/dbraw/zinc/75/44/17/431754417.db2.gz MIARARXXYSDPPC-OALUTQOASA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647964001 431754425 /nfs/dbraw/zinc/75/44/25/431754425.db2.gz MIARARXXYSDPPC-OALUTQOASA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647964001 431754430 /nfs/dbraw/zinc/75/44/30/431754430.db2.gz MIARARXXYSDPPC-OALUTQOASA-N 2 1 304.478 2.703 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000647965028 431757096 /nfs/dbraw/zinc/75/70/96/431757096.db2.gz COTMOYJGBUNMNB-BRWVUGGUSA-N 2 1 314.514 2.603 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000647965028 431757102 /nfs/dbraw/zinc/75/71/02/431757102.db2.gz COTMOYJGBUNMNB-BRWVUGGUSA-N 2 1 314.514 2.603 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000647965028 431757111 /nfs/dbraw/zinc/75/71/11/431757111.db2.gz COTMOYJGBUNMNB-BRWVUGGUSA-N 2 1 314.514 2.603 20 0 DFADMP Cn1ncc(C2CC2)c1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452708 431761095 /nfs/dbraw/zinc/76/10/95/431761095.db2.gz IKTBHCYNJPHAFV-QGZVFWFLSA-N 2 1 324.472 2.909 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657452708 431761110 /nfs/dbraw/zinc/76/11/10/431761110.db2.gz IKTBHCYNJPHAFV-QGZVFWFLSA-N 2 1 324.472 2.909 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977999 431761559 /nfs/dbraw/zinc/76/15/59/431761559.db2.gz KTYBLRFRNZYZGS-KGLIPLIRSA-N 2 1 308.388 2.667 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975848 431761892 /nfs/dbraw/zinc/76/18/92/431761892.db2.gz GUIDHGNLNSQCNP-FGTMMUONSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976911 431762578 /nfs/dbraw/zinc/76/25/78/431762578.db2.gz VZVMBICPMBJRRL-IKGGRYGDSA-N 2 1 315.461 2.725 20 0 DFADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647882133 431717084 /nfs/dbraw/zinc/71/70/84/431717084.db2.gz MRJWJSMBUXESDN-QGZVFWFLSA-N 2 1 312.461 2.839 20 0 DFADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@@H]1CC[NH2+]C1 ZINC000647882133 431717086 /nfs/dbraw/zinc/71/70/86/431717086.db2.gz MRJWJSMBUXESDN-QGZVFWFLSA-N 2 1 312.461 2.839 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899650 431720913 /nfs/dbraw/zinc/72/09/13/431720913.db2.gz RLKVYDVMXYJVHW-WNRNVDISSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647899650 431720917 /nfs/dbraw/zinc/72/09/17/431720917.db2.gz RLKVYDVMXYJVHW-WNRNVDISSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](CC[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648072217 431807644 /nfs/dbraw/zinc/80/76/44/431807644.db2.gz RMGPTQHCUUEOGP-KRWDZBQOSA-N 2 1 302.462 2.977 20 0 DFADMP OC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCC1 ZINC000657558983 431807763 /nfs/dbraw/zinc/80/77/63/431807763.db2.gz IXEOIRXYWQKRTB-IBGZPJMESA-N 2 1 320.452 2.583 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647986906 431766015 /nfs/dbraw/zinc/76/60/15/431766015.db2.gz PIEQTFYTNOYYKN-MSOLQXFVSA-N 2 1 318.461 2.533 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000647986907 431767380 /nfs/dbraw/zinc/76/73/80/431767380.db2.gz PIEQTFYTNOYYKN-QZTJIDSGSA-N 2 1 318.461 2.533 20 0 DFADMP CCC[C@@H]1CN(C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000647990905 431767684 /nfs/dbraw/zinc/76/76/84/431767684.db2.gz UDNGWFRFFJGLHN-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+](CC)CCCC1CC[NH+](Cc2cncnc2OC)CC1 ZINC000648022292 431784114 /nfs/dbraw/zinc/78/41/14/431784114.db2.gz FJROIGKSTYHHRG-UHFFFAOYSA-N 2 1 320.481 2.819 20 0 DFADMP CC(C)C[N@@H+](C)CCCNCc1c(C(F)(F)F)cnn1C ZINC000657499831 431787470 /nfs/dbraw/zinc/78/74/70/431787470.db2.gz DSGWCSSQSJBHRF-UHFFFAOYSA-N 2 1 306.376 2.506 20 0 DFADMP Cc1sccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595802 431821738 /nfs/dbraw/zinc/82/17/38/431821738.db2.gz KCPFIBIBUBFBJZ-GOSISDBHSA-N 2 1 316.470 2.913 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)[C@H](C)C2 ZINC000367886808 281119254 /nfs/dbraw/zinc/11/92/54/281119254.db2.gz QSWHSHXVFWLEAU-NOCIGQNYSA-N 2 1 300.446 2.681 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)[C@H](C)C2 ZINC000367886808 281119256 /nfs/dbraw/zinc/11/92/56/281119256.db2.gz QSWHSHXVFWLEAU-NOCIGQNYSA-N 2 1 300.446 2.681 20 0 DFADMP O[C@H](C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(Cl)cc1 ZINC000363414596 289091987 /nfs/dbraw/zinc/09/19/87/289091987.db2.gz PFJUZDPCYRSPJS-VDHUWJSZSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(Cl)cc1 ZINC000363414596 289091988 /nfs/dbraw/zinc/09/19/88/289091988.db2.gz PFJUZDPCYRSPJS-VDHUWJSZSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(Cl)cc1 ZINC000363414596 289091990 /nfs/dbraw/zinc/09/19/90/289091990.db2.gz PFJUZDPCYRSPJS-VDHUWJSZSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccc(Cl)cc1 ZINC000363414596 289091991 /nfs/dbraw/zinc/09/19/91/289091991.db2.gz PFJUZDPCYRSPJS-VDHUWJSZSA-N 2 1 320.864 2.790 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414292 289092083 /nfs/dbraw/zinc/09/20/83/289092083.db2.gz LVQWCZJZHASAEM-ZIFCJYIRSA-N 2 1 323.440 2.857 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414292 289092084 /nfs/dbraw/zinc/09/20/84/289092084.db2.gz LVQWCZJZHASAEM-ZIFCJYIRSA-N 2 1 323.440 2.857 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414292 289092085 /nfs/dbraw/zinc/09/20/85/289092085.db2.gz LVQWCZJZHASAEM-ZIFCJYIRSA-N 2 1 323.440 2.857 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000363426936 289094349 /nfs/dbraw/zinc/09/43/49/289094349.db2.gz JEMJOUQIRAZFFE-CEXWTWQISA-N 2 1 300.446 2.648 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000363426936 289094350 /nfs/dbraw/zinc/09/43/50/289094350.db2.gz JEMJOUQIRAZFFE-CEXWTWQISA-N 2 1 300.446 2.648 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000363426936 289094352 /nfs/dbraw/zinc/09/43/52/289094352.db2.gz JEMJOUQIRAZFFE-CEXWTWQISA-N 2 1 300.446 2.648 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000363426938 289094397 /nfs/dbraw/zinc/09/43/97/289094397.db2.gz JEMJOUQIRAZFFE-QRVBRYPASA-N 2 1 300.446 2.648 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000363426938 289094399 /nfs/dbraw/zinc/09/43/99/289094399.db2.gz JEMJOUQIRAZFFE-QRVBRYPASA-N 2 1 300.446 2.648 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000363426938 289094401 /nfs/dbraw/zinc/09/44/01/289094401.db2.gz JEMJOUQIRAZFFE-QRVBRYPASA-N 2 1 300.446 2.648 20 0 DFADMP C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245200345 289348287 /nfs/dbraw/zinc/34/82/87/289348287.db2.gz AIDROUOLONDNSG-QLFBSQMISA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1N(C)C ZINC000369443730 290026082 /nfs/dbraw/zinc/02/60/82/290026082.db2.gz QRBYHMGFLASVAP-GXTWGEPZSA-N 2 1 302.397 2.754 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262112472 290384785 /nfs/dbraw/zinc/38/47/85/290384785.db2.gz WQABEFSJJPMPGR-PKOBYXMFSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262112472 290384789 /nfs/dbraw/zinc/38/47/89/290384789.db2.gz WQABEFSJJPMPGR-PKOBYXMFSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000262112472 290384794 /nfs/dbraw/zinc/38/47/94/290384794.db2.gz WQABEFSJJPMPGR-PKOBYXMFSA-N 2 1 307.526 2.963 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)OCC)[C@H](C)C1 ZINC000437087239 297054180 /nfs/dbraw/zinc/05/41/80/297054180.db2.gz UTSQPZJZSIMVKB-HZPDHXFCSA-N 2 1 300.487 2.528 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437848975 297072009 /nfs/dbraw/zinc/07/20/09/297072009.db2.gz XILHEGPOVKHPFS-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848975 297072011 /nfs/dbraw/zinc/07/20/11/297072011.db2.gz XILHEGPOVKHPFS-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437848975 297072012 /nfs/dbraw/zinc/07/20/12/297072012.db2.gz XILHEGPOVKHPFS-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437855603 297072426 /nfs/dbraw/zinc/07/24/26/297072426.db2.gz YORKRMSGBTVQJI-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437855603 297072429 /nfs/dbraw/zinc/07/24/29/297072429.db2.gz YORKRMSGBTVQJI-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437855603 297072432 /nfs/dbraw/zinc/07/24/32/297072432.db2.gz YORKRMSGBTVQJI-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@@H+](CC[C@@H]3CCOC3)C1)CCCC2 ZINC000437976813 297075857 /nfs/dbraw/zinc/07/58/57/297075857.db2.gz JAGVPGBXELBERP-CVEARBPZSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC[C@@H]3CCOC3)C1)CCCC2 ZINC000437976813 297075860 /nfs/dbraw/zinc/07/58/60/297075860.db2.gz JAGVPGBXELBERP-CVEARBPZSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC[C@@H]3CCOC3)C1)CCCC2 ZINC000437976813 297075861 /nfs/dbraw/zinc/07/58/61/297075861.db2.gz JAGVPGBXELBERP-CVEARBPZSA-N 2 1 303.450 2.744 20 0 DFADMP Cn1ncc(Cl)c1CN1CC[C@@H](n2c[nH+]c3c2CCCC3)C1 ZINC000437976265 297075996 /nfs/dbraw/zinc/07/59/96/297075996.db2.gz HDRLZUYPUPWOCA-GFCCVEGCSA-N 2 1 319.840 2.596 20 0 DFADMP C[N@@H+](CC[C@H]1CCOC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112031 297081073 /nfs/dbraw/zinc/08/10/73/297081073.db2.gz YCFXZFIMGGMXDU-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC[C@H]1CCOC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438112031 297081074 /nfs/dbraw/zinc/08/10/74/297081074.db2.gz YCFXZFIMGGMXDU-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC[C@H]1CCOC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438112031 297081076 /nfs/dbraw/zinc/08/10/76/297081076.db2.gz YCFXZFIMGGMXDU-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929060 295249535 /nfs/dbraw/zinc/24/95/35/295249535.db2.gz CNGRGHGJPYGAGJ-AEFFLSMTSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929060 295249536 /nfs/dbraw/zinc/24/95/36/295249536.db2.gz CNGRGHGJPYGAGJ-AEFFLSMTSA-N 2 1 304.434 2.840 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC(CCC[NH+]2CCCC2)CC1)C1CC1 ZINC000154012377 295290099 /nfs/dbraw/zinc/29/00/99/295290099.db2.gz DCECLUDSDSJFMO-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CCCCC[N@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000154354336 295297982 /nfs/dbraw/zinc/29/79/82/295297982.db2.gz HZOOAULXKGVSCU-UHFFFAOYSA-N 2 1 319.497 2.629 20 0 DFADMP CCCCC[N@@H+](Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)C ZINC000154354336 295297985 /nfs/dbraw/zinc/29/79/85/295297985.db2.gz HZOOAULXKGVSCU-UHFFFAOYSA-N 2 1 319.497 2.629 20 0 DFADMP C[C@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C[N@H+]1C1CC1 ZINC000157547533 295350050 /nfs/dbraw/zinc/35/00/50/295350050.db2.gz YOVJSIVZEPOSLO-RDJZCZTQSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000157647536 295351725 /nfs/dbraw/zinc/35/17/25/295351725.db2.gz FTQWBDFEECVNCO-HOTGVXAUSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000158224699 295360085 /nfs/dbraw/zinc/36/00/85/295360085.db2.gz WFNNROHKJHNQCG-FUHWJXTLSA-N 2 1 312.461 2.924 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000158224699 295360087 /nfs/dbraw/zinc/36/00/87/295360087.db2.gz WFNNROHKJHNQCG-FUHWJXTLSA-N 2 1 312.461 2.924 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1NC(C)=O ZINC000158217553 295360236 /nfs/dbraw/zinc/36/02/36/295360236.db2.gz SLPIWHPDRJSDDO-DZGCQCFKSA-N 2 1 319.449 2.646 20 0 DFADMP O[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000158239861 295360762 /nfs/dbraw/zinc/36/07/62/295360762.db2.gz KLLSTVPMXSFWMA-MJGOQNOKSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)CCC2 ZINC000158896276 295368965 /nfs/dbraw/zinc/36/89/65/295368965.db2.gz LVWFOYSHXCDFKM-UZLBHIALSA-N 2 1 316.489 2.919 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000397390077 295487113 /nfs/dbraw/zinc/48/71/13/295487113.db2.gz JGLVMIMGSKLQJL-JTQLQIEISA-N 2 1 303.269 2.988 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400356610 295497344 /nfs/dbraw/zinc/49/73/44/295497344.db2.gz AHEHUIWLCUQNIB-DZGCQCFKSA-N 2 1 322.453 2.569 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438567814 297099264 /nfs/dbraw/zinc/09/92/64/297099264.db2.gz OIZVTBVDGZKFIB-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438567814 297099266 /nfs/dbraw/zinc/09/92/66/297099266.db2.gz OIZVTBVDGZKFIB-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438567814 297099269 /nfs/dbraw/zinc/09/92/69/297099269.db2.gz OIZVTBVDGZKFIB-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439934750 297141042 /nfs/dbraw/zinc/14/10/42/297141042.db2.gz SGDYYONZWSWZRA-SFHVURJKSA-N 2 1 321.509 2.630 20 0 DFADMP COC(=O)CC1(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000440498652 297154671 /nfs/dbraw/zinc/15/46/71/297154671.db2.gz ZHTJPVQDXSVZLW-HUUCEWRRSA-N 2 1 308.466 2.572 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000441334637 297180017 /nfs/dbraw/zinc/18/00/17/297180017.db2.gz OKYJQNIKFKGKGR-VKAVYKQESA-N 2 1 301.478 2.706 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cc3cc(F)ccc3o2)CC1(C)C ZINC000441369504 297181093 /nfs/dbraw/zinc/18/10/93/297181093.db2.gz VKAKEZKZBDNSSQ-UHFFFAOYSA-N 2 1 319.424 2.688 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000442630481 297198504 /nfs/dbraw/zinc/19/85/04/297198504.db2.gz VPXBWXRJHXYBKO-CZUORRHYSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773855 297205571 /nfs/dbraw/zinc/20/55/71/297205571.db2.gz DHEFSXWZFWDGNR-NWDGAFQWSA-N 2 1 302.340 2.753 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC ZINC000442922279 297211288 /nfs/dbraw/zinc/21/12/88/297211288.db2.gz KEMKEVLCDHGHDB-AWEZNQCLSA-N 2 1 322.449 2.663 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000443058153 297213915 /nfs/dbraw/zinc/21/39/15/297213915.db2.gz JMDFMLVQPZGFQJ-HNNXBMFYSA-N 2 1 314.433 2.730 20 0 DFADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)c1 ZINC000443064117 297214229 /nfs/dbraw/zinc/21/42/29/297214229.db2.gz BSCHYGTYXYXXOV-AWEZNQCLSA-N 2 1 300.406 2.606 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@H](CC[NH3+])C3)o2)cc1 ZINC000443063098 297214403 /nfs/dbraw/zinc/21/44/03/297214403.db2.gz VUYBJARZHHWGDP-CQSZACIVSA-N 2 1 315.417 2.911 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065989 297214724 /nfs/dbraw/zinc/21/47/24/297214724.db2.gz DDAJYNJWHISNPI-BBRMVZONSA-N 2 1 321.852 2.506 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000444266435 297234461 /nfs/dbraw/zinc/23/44/61/297234461.db2.gz CTKVWFSCZPOWQQ-LJQANCHMSA-N 2 1 319.493 2.556 20 0 DFADMP CC1(C)CCC[NH+](CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000444626624 297242441 /nfs/dbraw/zinc/24/24/41/297242441.db2.gz AFJXMALODLUMDF-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000446969843 297291900 /nfs/dbraw/zinc/29/19/00/297291900.db2.gz RDCDXOFBVCPAFU-UHFFFAOYSA-N 2 1 323.506 2.804 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)c(C)o1 ZINC000447572495 297308822 /nfs/dbraw/zinc/30/88/22/297308822.db2.gz CGMNZKIVDMMLFN-DOPJRALCSA-N 2 1 306.450 2.925 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cs1 ZINC000449036595 297395329 /nfs/dbraw/zinc/39/53/29/297395329.db2.gz KOLJRMBETLQFMY-WMLDXEAASA-N 2 1 307.507 2.514 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000449036594 297395470 /nfs/dbraw/zinc/39/54/70/297395470.db2.gz KOLJRMBETLQFMY-RHSMWYFYSA-N 2 1 307.507 2.514 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cccnc2o1 ZINC000449046839 297396955 /nfs/dbraw/zinc/39/69/55/297396955.db2.gz MCIAQGVOZLJDCQ-HYVNUMGLSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cccnc2o1 ZINC000449046839 297396957 /nfs/dbraw/zinc/39/69/57/297396957.db2.gz MCIAQGVOZLJDCQ-HYVNUMGLSA-N 2 1 315.417 2.511 20 0 DFADMP C([NH2+][C@@H]1CCOC2(CCC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000449228658 297426149 /nfs/dbraw/zinc/42/61/49/297426149.db2.gz ZVTDZNYNKUQXBE-QGZVFWFLSA-N 2 1 322.493 2.713 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(F)cccc32)CC1 ZINC000449351044 297451916 /nfs/dbraw/zinc/45/19/16/297451916.db2.gz NSLXUCBEKZRSQS-GOSISDBHSA-N 2 1 306.425 2.904 20 0 DFADMP CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000449495094 297479126 /nfs/dbraw/zinc/47/91/26/297479126.db2.gz OARYZJJHOWHKMD-ZFWWWQNUSA-N 2 1 311.495 2.746 20 0 DFADMP CCc1cc(N2CC[NH+](Cc3ccccc3OC)CC2)cc[nH+]1 ZINC000450307953 297608911 /nfs/dbraw/zinc/60/89/11/297608911.db2.gz IPXCUIFJWZZSJA-UHFFFAOYSA-N 2 1 311.429 2.975 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453059018 298058359 /nfs/dbraw/zinc/05/83/59/298058359.db2.gz PSJPWNFHACWTFJ-SLFFLAALSA-N 3 1 324.472 2.916 20 0 DFADMP c1cn(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@@H]3CCC[C@H]32)cn1 ZINC000453059018 298058362 /nfs/dbraw/zinc/05/83/62/298058362.db2.gz PSJPWNFHACWTFJ-SLFFLAALSA-N 3 1 324.472 2.916 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000453115267 298063131 /nfs/dbraw/zinc/06/31/31/298063131.db2.gz WYSKXPWQRZFHJM-HKUYNNGSSA-N 2 1 324.472 2.562 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000453122627 298064880 /nfs/dbraw/zinc/06/48/80/298064880.db2.gz YDLWWNQWWZYIAR-OTWHNJEPSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453198197 298070743 /nfs/dbraw/zinc/07/07/43/298070743.db2.gz OUTRZNVOWXXHAO-PMPSAXMXSA-N 2 1 302.466 2.650 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H]2CCC[C@@H]21 ZINC000453335013 298084256 /nfs/dbraw/zinc/08/42/56/298084256.db2.gz FEISPFPRYZCSIK-GFEQUFNTSA-N 2 1 315.461 2.764 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000453402813 298090589 /nfs/dbraw/zinc/09/05/89/298090589.db2.gz NYACBIPLXRGVDE-HKUYNNGSSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000453402813 298090591 /nfs/dbraw/zinc/09/05/91/298090591.db2.gz NYACBIPLXRGVDE-HKUYNNGSSA-N 2 1 324.472 2.970 20 0 DFADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@H]2CCCCN12 ZINC000453444133 298096801 /nfs/dbraw/zinc/09/68/01/298096801.db2.gz OBCLLZRIXAMWIX-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453598754 298103443 /nfs/dbraw/zinc/10/34/43/298103443.db2.gz QFGHOTLPMATYQH-UHFFFAOYSA-N 3 1 313.449 2.540 20 0 DFADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453598754 298103445 /nfs/dbraw/zinc/10/34/45/298103445.db2.gz QFGHOTLPMATYQH-UHFFFAOYSA-N 2 1 313.449 2.540 20 0 DFADMP Cc1nn(-c2ccncc2)cc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453598754 298103446 /nfs/dbraw/zinc/10/34/46/298103446.db2.gz QFGHOTLPMATYQH-UHFFFAOYSA-N 2 1 313.449 2.540 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]CCCC[N@@H+](C)C3CC3)cnc21 ZINC000453602557 298103626 /nfs/dbraw/zinc/10/36/26/298103626.db2.gz WVAWUTAAGLUZCL-UHFFFAOYSA-N 2 1 315.465 2.976 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cc(-n2ccnc2)cs1)C1CC1 ZINC000453600234 298103701 /nfs/dbraw/zinc/10/37/01/298103701.db2.gz SARLFCGTKQXCDQ-UHFFFAOYSA-N 2 1 304.463 2.898 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000496247198 300035460 /nfs/dbraw/zinc/03/54/60/300035460.db2.gz SQGHFRLEFYLTCB-UHFFFAOYSA-N 2 1 313.486 2.707 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000496483465 300069116 /nfs/dbraw/zinc/06/91/16/300069116.db2.gz YTQGVCKESKEYNX-GUYCJALGSA-N 2 1 317.433 2.811 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCCNC(=O)OC(C)(C)C)C1 ZINC000497012121 300146945 /nfs/dbraw/zinc/14/69/45/300146945.db2.gz AEUYRKSJACSFAZ-HNNXBMFYSA-N 2 1 313.486 2.611 20 0 DFADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497034088 300150519 /nfs/dbraw/zinc/15/05/19/300150519.db2.gz JNRBCZJRNJZTFY-KGLIPLIRSA-N 2 1 313.486 2.562 20 0 DFADMP CCCCC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C(C)C ZINC000497072224 300156584 /nfs/dbraw/zinc/15/65/84/300156584.db2.gz NEDLYCYELWFCGM-SFHVURJKSA-N 2 1 323.481 2.761 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000497157761 300170358 /nfs/dbraw/zinc/17/03/58/300170358.db2.gz DNXRTLZBULUUBK-RRFJBIMHSA-N 2 1 313.486 2.610 20 0 DFADMP O=C(NC1CC1)OC[C@H]1CCCC[N@@H+]1CCC[NH+]1CCCCC1 ZINC000497166344 300171775 /nfs/dbraw/zinc/17/17/75/300171775.db2.gz ZZGCIPXEDGOREI-QGZVFWFLSA-N 2 1 323.481 2.606 20 0 DFADMP O=C(NC1CC1)OC[C@H]1CCCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000497166344 300171777 /nfs/dbraw/zinc/17/17/77/300171777.db2.gz ZZGCIPXEDGOREI-QGZVFWFLSA-N 2 1 323.481 2.606 20 0 DFADMP CC[C@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000497825558 300192460 /nfs/dbraw/zinc/19/24/60/300192460.db2.gz FOOAGLQQONZDCS-INIZCTEOSA-N 2 1 310.482 2.962 20 0 DFADMP CC[C@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000497825558 300192463 /nfs/dbraw/zinc/19/24/63/300192463.db2.gz FOOAGLQQONZDCS-INIZCTEOSA-N 2 1 310.482 2.962 20 0 DFADMP CC[C@H](C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000513479639 300258162 /nfs/dbraw/zinc/25/81/62/300258162.db2.gz PBWMXQVBKHZLSC-QUCCMNQESA-N 2 1 315.505 2.892 20 0 DFADMP CC[N@H+](C)C[C@H](O)CN1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869641 300276856 /nfs/dbraw/zinc/27/68/56/300276856.db2.gz CYHSAMOBFJJMAQ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869641 300276857 /nfs/dbraw/zinc/27/68/57/300276857.db2.gz CYHSAMOBFJJMAQ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869641 300276859 /nfs/dbraw/zinc/27/68/59/300276859.db2.gz CYHSAMOBFJJMAQ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869641 300276860 /nfs/dbraw/zinc/27/68/60/300276860.db2.gz CYHSAMOBFJJMAQ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869641 300276861 /nfs/dbraw/zinc/27/68/61/300276861.db2.gz CYHSAMOBFJJMAQ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869641 300276862 /nfs/dbraw/zinc/27/68/62/300276862.db2.gz CYHSAMOBFJJMAQ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@H+](C)C[C@@H](O)CN1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869639 300277133 /nfs/dbraw/zinc/27/71/33/300277133.db2.gz CYHSAMOBFJJMAQ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869639 300277136 /nfs/dbraw/zinc/27/71/36/300277136.db2.gz CYHSAMOBFJJMAQ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869639 300277137 /nfs/dbraw/zinc/27/71/37/300277137.db2.gz CYHSAMOBFJJMAQ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869639 300277140 /nfs/dbraw/zinc/27/71/40/300277140.db2.gz CYHSAMOBFJJMAQ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869639 300277142 /nfs/dbraw/zinc/27/71/42/300277142.db2.gz CYHSAMOBFJJMAQ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869639 300277144 /nfs/dbraw/zinc/27/71/44/300277144.db2.gz CYHSAMOBFJJMAQ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032825 300379367 /nfs/dbraw/zinc/37/93/67/300379367.db2.gz CGDGNJGKWMFUMP-FHWLQOOXSA-N 2 1 308.510 2.981 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)ccc2o1 ZINC000517038198 300380099 /nfs/dbraw/zinc/38/00/99/300380099.db2.gz NSJGOSDTNIAYRV-BXUZGUMPSA-N 2 1 302.374 2.531 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)ccc2o1 ZINC000517038198 300380101 /nfs/dbraw/zinc/38/01/01/300380101.db2.gz NSJGOSDTNIAYRV-BXUZGUMPSA-N 2 1 302.374 2.531 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H](n2cccn2)C(F)(F)F)CC1 ZINC000527941445 300714815 /nfs/dbraw/zinc/71/48/15/300714815.db2.gz ZEOOKKHQCVKJKI-ZDUSSCGKSA-N 2 1 318.387 2.839 20 0 DFADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000530024876 301006292 /nfs/dbraw/zinc/00/62/92/301006292.db2.gz YBBUOLKQMGCWRY-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000530024876 301006293 /nfs/dbraw/zinc/00/62/93/301006293.db2.gz YBBUOLKQMGCWRY-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000530024876 301006294 /nfs/dbraw/zinc/00/62/94/301006294.db2.gz YBBUOLKQMGCWRY-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530224715 301031816 /nfs/dbraw/zinc/03/18/16/301031816.db2.gz XBHHUMRVXHRFOD-HTQZYQBOSA-N 2 1 307.182 2.943 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CCc2c[nH+]cn2C)c(C)c1 ZINC000530460408 301050003 /nfs/dbraw/zinc/05/00/03/301050003.db2.gz SGESHGZQVMRAHM-HNNXBMFYSA-N 2 1 314.433 2.586 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)O[C@@H](C)C2 ZINC000530674271 301062937 /nfs/dbraw/zinc/06/29/37/301062937.db2.gz SCDNFKVNRMFFAC-IAOVAPTHSA-N 2 1 318.461 2.981 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000531681427 301103764 /nfs/dbraw/zinc/10/37/64/301103764.db2.gz XDRQBSVLPQYTNX-DLBZAZTESA-N 2 1 311.514 2.735 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000531677099 301103785 /nfs/dbraw/zinc/10/37/85/301103785.db2.gz JRCYZMRHXCHOFO-CVEARBPZSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728697 301106437 /nfs/dbraw/zinc/10/64/37/301106437.db2.gz FCYUWWZRZXLFBZ-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728697 301106438 /nfs/dbraw/zinc/10/64/38/301106438.db2.gz FCYUWWZRZXLFBZ-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531785594 301110209 /nfs/dbraw/zinc/11/02/09/301110209.db2.gz VJLOFVYLALZMGH-OAGGEKHMSA-N 2 1 307.507 2.815 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000531980498 301123031 /nfs/dbraw/zinc/12/30/31/301123031.db2.gz IWBRIHHGLAWECO-UXLLHSPISA-N 2 1 303.450 2.784 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000531980498 301123033 /nfs/dbraw/zinc/12/30/33/301123033.db2.gz IWBRIHHGLAWECO-UXLLHSPISA-N 2 1 303.450 2.784 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980304 301123378 /nfs/dbraw/zinc/12/33/78/301123378.db2.gz WQOYPAGGSDPOQP-XJKCOSOUSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980304 301123379 /nfs/dbraw/zinc/12/33/79/301123379.db2.gz WQOYPAGGSDPOQP-XJKCOSOUSA-N 2 1 307.413 2.615 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000532192677 301135912 /nfs/dbraw/zinc/13/59/12/301135912.db2.gz ZRMLMWCDOQWQNJ-PBHICJAKSA-N 2 1 303.450 2.855 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000532192677 301135914 /nfs/dbraw/zinc/13/59/14/301135914.db2.gz ZRMLMWCDOQWQNJ-PBHICJAKSA-N 2 1 303.450 2.855 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235221 301138346 /nfs/dbraw/zinc/13/83/46/301138346.db2.gz RXNWSMQFCIIGRJ-DVOMOZLQSA-N 2 1 301.434 2.705 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235221 301138349 /nfs/dbraw/zinc/13/83/49/301138349.db2.gz RXNWSMQFCIIGRJ-DVOMOZLQSA-N 2 1 301.434 2.705 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000532237102 301138457 /nfs/dbraw/zinc/13/84/57/301138457.db2.gz YOCQCZAFCHQBDN-UHFFFAOYSA-N 2 1 319.371 2.797 20 0 DFADMP C[C@@H]1CC[C@H](CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000532344995 301146221 /nfs/dbraw/zinc/14/62/21/301146221.db2.gz BLKPZNFVIIGJME-CABCVRRESA-N 2 1 316.449 2.598 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000532531808 301158727 /nfs/dbraw/zinc/15/87/27/301158727.db2.gz NJUYOSHPXWXCJO-ZIFCJYIRSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000532531808 301158728 /nfs/dbraw/zinc/15/87/28/301158728.db2.gz NJUYOSHPXWXCJO-ZIFCJYIRSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000532531808 301158729 /nfs/dbraw/zinc/15/87/29/301158729.db2.gz NJUYOSHPXWXCJO-ZIFCJYIRSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000532531808 301158731 /nfs/dbraw/zinc/15/87/31/301158731.db2.gz NJUYOSHPXWXCJO-ZIFCJYIRSA-N 2 1 301.478 2.753 20 0 DFADMP Cc1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c(C)s1 ZINC000534333344 301229326 /nfs/dbraw/zinc/22/93/26/301229326.db2.gz XKSJOWIDDFYMAQ-UHFFFAOYSA-N 2 1 307.507 2.578 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000534955169 301240378 /nfs/dbraw/zinc/24/03/78/301240378.db2.gz FFBAZDJJIDZAPO-CYBMUJFWSA-N 2 1 305.344 2.625 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](OCC(F)(F)F)C1 ZINC000534955169 301240381 /nfs/dbraw/zinc/24/03/81/301240381.db2.gz FFBAZDJJIDZAPO-CYBMUJFWSA-N 2 1 305.344 2.625 20 0 DFADMP C[NH+](CCCC[N@H+](C)C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000536540543 301277882 /nfs/dbraw/zinc/27/78/82/301277882.db2.gz RLJCRMRGOGKSRB-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP C[NH+](CCCC[N@H+](C)C[C@@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000536540543 301277884 /nfs/dbraw/zinc/27/78/84/301277884.db2.gz RLJCRMRGOGKSRB-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP C[NH+](CCCC[N@@H+](C)C[C@@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000536540543 301277886 /nfs/dbraw/zinc/27/78/86/301277886.db2.gz RLJCRMRGOGKSRB-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000538752102 301330895 /nfs/dbraw/zinc/33/08/95/301330895.db2.gz ITOASPOGTIBXPA-OAHLLOKOSA-N 2 1 323.506 2.953 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]C2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000540141400 301358363 /nfs/dbraw/zinc/35/83/63/301358363.db2.gz LLFDNOSKTCNKDL-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000540141400 301358365 /nfs/dbraw/zinc/35/83/65/301358365.db2.gz LLFDNOSKTCNKDL-HKUYNNGSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000540141400 301358367 /nfs/dbraw/zinc/35/83/67/301358367.db2.gz LLFDNOSKTCNKDL-HKUYNNGSSA-N 3 1 315.505 2.971 20 0 DFADMP COC(=O)[C@H](C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000541057461 301382013 /nfs/dbraw/zinc/38/20/13/301382013.db2.gz LTJUQQOFPPWRRE-YJBOKZPZSA-N 2 1 322.493 2.915 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000542494872 301414525 /nfs/dbraw/zinc/41/45/25/301414525.db2.gz OUZFZGNLIQCUBS-CZUORRHYSA-N 2 1 312.417 2.891 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@H]2CCC(C)(C)C2)CC1 ZINC000542843146 301422458 /nfs/dbraw/zinc/42/24/58/301422458.db2.gz NOZHSPAUVBEOIH-AWEZNQCLSA-N 2 1 316.449 2.598 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)C2 ZINC000548424073 301588926 /nfs/dbraw/zinc/58/89/26/301588926.db2.gz NUOZQHRWNNEBKJ-LBPRGKRZSA-N 2 1 313.430 2.687 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC3(C)C)CC2)oc1C ZINC000550665191 301651300 /nfs/dbraw/zinc/65/13/00/301651300.db2.gz FYPREAPWIHZWSF-INIZCTEOSA-N 2 1 321.465 2.661 20 0 DFADMP CC(C)[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)Cc1ccccc1 ZINC000563003033 302024264 /nfs/dbraw/zinc/02/42/64/302024264.db2.gz MUCXASLZHBMQEC-PKOBYXMFSA-N 2 1 304.478 2.546 20 0 DFADMP CC(C)[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)Cc1ccccc1 ZINC000563003033 302024267 /nfs/dbraw/zinc/02/42/67/302024267.db2.gz MUCXASLZHBMQEC-PKOBYXMFSA-N 2 1 304.478 2.546 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000563010056 302025448 /nfs/dbraw/zinc/02/54/48/302025448.db2.gz DDHRGTJBMJGKJP-INIZCTEOSA-N 2 1 307.413 2.618 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000563010056 302025452 /nfs/dbraw/zinc/02/54/52/302025452.db2.gz DDHRGTJBMJGKJP-INIZCTEOSA-N 2 1 307.413 2.618 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120212 302039082 /nfs/dbraw/zinc/03/90/82/302039082.db2.gz XFUMAXVKJRHNOT-ROUUACIJSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120212 302039085 /nfs/dbraw/zinc/03/90/85/302039085.db2.gz XFUMAXVKJRHNOT-ROUUACIJSA-N 2 1 302.462 2.790 20 0 DFADMP OC1CC(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120024 302039113 /nfs/dbraw/zinc/03/91/13/302039113.db2.gz PJIWICDVWODFIW-XBMUEBEBSA-N 2 1 314.473 2.934 20 0 DFADMP OC1CC(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000563120024 302039116 /nfs/dbraw/zinc/03/91/16/302039116.db2.gz PJIWICDVWODFIW-XBMUEBEBSA-N 2 1 314.473 2.934 20 0 DFADMP CC(C)c1[nH+]c(CN(C)C[C@H]2CC[N@H+](C)C2)c2ccccn21 ZINC000563254382 302055290 /nfs/dbraw/zinc/05/52/90/302055290.db2.gz CAKAGCZHOXMAJF-HNNXBMFYSA-N 2 1 300.450 2.841 20 0 DFADMP CC(C)c1[nH+]c(CN(C)C[C@H]2CC[N@@H+](C)C2)c2ccccn21 ZINC000563254382 302055292 /nfs/dbraw/zinc/05/52/92/302055292.db2.gz CAKAGCZHOXMAJF-HNNXBMFYSA-N 2 1 300.450 2.841 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000563352529 302065583 /nfs/dbraw/zinc/06/55/83/302065583.db2.gz GEWUGHUKMCGXOY-FCGDIQPGSA-N 2 1 302.462 2.710 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000563352529 302065584 /nfs/dbraw/zinc/06/55/84/302065584.db2.gz GEWUGHUKMCGXOY-FCGDIQPGSA-N 2 1 302.462 2.710 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000563352529 302065585 /nfs/dbraw/zinc/06/55/85/302065585.db2.gz GEWUGHUKMCGXOY-FCGDIQPGSA-N 2 1 302.462 2.710 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2 ZINC000563352529 302065586 /nfs/dbraw/zinc/06/55/86/302065586.db2.gz GEWUGHUKMCGXOY-FCGDIQPGSA-N 2 1 302.462 2.710 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCc3cncn3C)C2)CC1 ZINC000563355932 302066105 /nfs/dbraw/zinc/06/61/05/302066105.db2.gz OKAVBIVOMVTSAY-GOSISDBHSA-N 2 1 318.509 2.797 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000563712121 302094239 /nfs/dbraw/zinc/09/42/39/302094239.db2.gz DLVKSSWWJSBAPO-ZDUSSCGKSA-N 2 1 316.401 2.780 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000563712121 302094241 /nfs/dbraw/zinc/09/42/41/302094241.db2.gz DLVKSSWWJSBAPO-ZDUSSCGKSA-N 2 1 316.401 2.780 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000563712115 302094374 /nfs/dbraw/zinc/09/43/74/302094374.db2.gz DLVKSSWWJSBAPO-CYBMUJFWSA-N 2 1 316.401 2.780 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000563712115 302094376 /nfs/dbraw/zinc/09/43/76/302094376.db2.gz DLVKSSWWJSBAPO-CYBMUJFWSA-N 2 1 316.401 2.780 20 0 DFADMP Cc1ccc(C2(C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CCC2)cc1C ZINC000563881621 302105638 /nfs/dbraw/zinc/10/56/38/302105638.db2.gz DXEUJUXTUVEEFQ-LJQANCHMSA-N 2 1 316.489 2.770 20 0 DFADMP Cc1ccc(C2(C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CCC2)cc1C ZINC000563881621 302105640 /nfs/dbraw/zinc/10/56/40/302105640.db2.gz DXEUJUXTUVEEFQ-LJQANCHMSA-N 2 1 316.489 2.770 20 0 DFADMP Cn1ccnc1[C@@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000563951200 302111283 /nfs/dbraw/zinc/11/12/83/302111283.db2.gz PLRRJFKWNAHAJM-INIZCTEOSA-N 2 1 318.852 2.752 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000563961213 302112366 /nfs/dbraw/zinc/11/23/66/302112366.db2.gz XMTOBSNLPFCVBI-BPQIPLTHSA-N 2 1 317.477 2.798 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cnn(C)c3)C2)s1 ZINC000564293261 302126616 /nfs/dbraw/zinc/12/66/16/302126616.db2.gz CQHIQSYVGZRSCX-OAHLLOKOSA-N 2 1 318.490 2.744 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)C1 ZINC000564464724 302136867 /nfs/dbraw/zinc/13/68/67/302136867.db2.gz AMFRXYDRPIAXTF-BGTYHANMSA-N 2 1 305.466 2.614 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)C1 ZINC000564464724 302136871 /nfs/dbraw/zinc/13/68/71/302136871.db2.gz AMFRXYDRPIAXTF-BGTYHANMSA-N 2 1 305.466 2.614 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@@H](c3cccnc3)C2)cc1 ZINC000564989677 302179715 /nfs/dbraw/zinc/17/97/15/302179715.db2.gz WXADCXZFBUJJFX-MSOLQXFVSA-N 2 1 311.429 2.622 20 0 DFADMP CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000565224876 302209744 /nfs/dbraw/zinc/20/97/44/302209744.db2.gz AHJSBTAYKUZDTR-MSOLQXFVSA-N 2 1 301.478 2.683 20 0 DFADMP CC(C)(CN[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000565224876 302209746 /nfs/dbraw/zinc/20/97/46/302209746.db2.gz AHJSBTAYKUZDTR-MSOLQXFVSA-N 2 1 301.478 2.683 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CCCC[NH3+] ZINC000565477286 302226778 /nfs/dbraw/zinc/22/67/78/302226778.db2.gz HNTKADHMRMHBBJ-MRXNPFEDSA-N 2 1 317.477 2.806 20 0 DFADMP CCC(CC)CNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565667445 302237250 /nfs/dbraw/zinc/23/72/50/302237250.db2.gz ZMBOIPGHSNCLKH-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP C[N@@H+](C[C@@H](O)CNCc1ccc(-c2ccco2)cc1F)C1CC1 ZINC000565770163 302241402 /nfs/dbraw/zinc/24/14/02/302241402.db2.gz HJTSACVRGQLLHT-INIZCTEOSA-N 2 1 318.392 2.630 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565952065 302250290 /nfs/dbraw/zinc/25/02/90/302250290.db2.gz ZMQIYTMPXIVHBR-SFHVURJKSA-N 2 1 314.408 2.791 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000565952065 302250294 /nfs/dbraw/zinc/25/02/94/302250294.db2.gz ZMQIYTMPXIVHBR-SFHVURJKSA-N 2 1 314.408 2.791 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000566017421 302253937 /nfs/dbraw/zinc/25/39/37/302253937.db2.gz VVJDSJHGYQDOBJ-AEFFLSMTSA-N 3 1 306.498 2.843 20 0 DFADMP C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566090697 302258727 /nfs/dbraw/zinc/25/87/27/302258727.db2.gz JACWNTDFMMIARW-FFZOFVMBSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566090697 302258730 /nfs/dbraw/zinc/25/87/30/302258730.db2.gz JACWNTDFMMIARW-FFZOFVMBSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089162 302258781 /nfs/dbraw/zinc/25/87/81/302258781.db2.gz APELTVJLGHGUEH-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089162 302258784 /nfs/dbraw/zinc/25/87/84/302258784.db2.gz APELTVJLGHGUEH-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000566113032 302260801 /nfs/dbraw/zinc/26/08/01/302260801.db2.gz CFVPEABDRYDQMV-BEFAXECRSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000566113032 302260804 /nfs/dbraw/zinc/26/08/04/302260804.db2.gz CFVPEABDRYDQMV-BEFAXECRSA-N 2 1 304.478 2.786 20 0 DFADMP COc1cncc(/C=C\CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000566156648 302264127 /nfs/dbraw/zinc/26/41/27/302264127.db2.gz ZXFOXGIXYORCJM-NKHHLTQSSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C\CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000566156648 302264129 /nfs/dbraw/zinc/26/41/29/302264129.db2.gz ZXFOXGIXYORCJM-NKHHLTQSSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C\CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000566156648 302264130 /nfs/dbraw/zinc/26/41/30/302264130.db2.gz ZXFOXGIXYORCJM-NKHHLTQSSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C\CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000566156648 302264132 /nfs/dbraw/zinc/26/41/32/302264132.db2.gz ZXFOXGIXYORCJM-NKHHLTQSSA-N 2 1 303.450 2.908 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)[C@H](C)C1 ZINC000566220329 302268536 /nfs/dbraw/zinc/26/85/36/302268536.db2.gz JPVOBCVKJFCOME-VQHPVUNQSA-N 2 1 300.462 2.994 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000566355660 302282209 /nfs/dbraw/zinc/28/22/09/302282209.db2.gz GJLFKVDOLHTSGE-UHFFFAOYSA-N 2 1 308.376 2.992 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000566614939 302299104 /nfs/dbraw/zinc/29/91/04/302299104.db2.gz AYZTWFHIKAARQT-PKOBYXMFSA-N 2 1 304.478 2.692 20 0 DFADMP COc1cc2c(cc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)O[C@@H](C)C2 ZINC000566705900 302305585 /nfs/dbraw/zinc/30/55/85/302305585.db2.gz QTICKQROEVBZCJ-GRDNDAEWSA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C)O[C@@H](C)C2 ZINC000566705900 302305589 /nfs/dbraw/zinc/30/55/89/302305589.db2.gz QTICKQROEVBZCJ-GRDNDAEWSA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C)O[C@@H](C)C2 ZINC000566705900 302305590 /nfs/dbraw/zinc/30/55/90/302305590.db2.gz QTICKQROEVBZCJ-GRDNDAEWSA-N 2 1 318.461 2.791 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000566732216 302307759 /nfs/dbraw/zinc/30/77/59/302307759.db2.gz GKVYIOKJVHCNQL-LMLQULGWSA-N 2 1 304.434 2.650 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000566866398 302318516 /nfs/dbraw/zinc/31/85/16/302318516.db2.gz SHXSHVDUDIRSMX-MAUKXSAKSA-N 2 1 317.477 2.526 20 0 DFADMP c1cc2c(cc1C[N@H+]1CC[C@@H](c3nc(C4CC4)no3)C1)C[NH2+]CC2 ZINC000567595414 302371639 /nfs/dbraw/zinc/37/16/39/302371639.db2.gz GRXPZAAGKIZDOD-MRXNPFEDSA-N 2 1 324.428 2.582 20 0 DFADMP CCOC1CC([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000567651425 302376391 /nfs/dbraw/zinc/37/63/91/302376391.db2.gz WFWBOVSOORSMMT-UHFFFAOYSA-N 2 1 300.406 2.575 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000567879442 302395997 /nfs/dbraw/zinc/39/59/97/302395997.db2.gz SYHJGNAMLDOFMX-HNNXBMFYSA-N 2 1 311.429 2.735 20 0 DFADMP OC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC000568618459 302463902 /nfs/dbraw/zinc/46/39/02/302463902.db2.gz JMUIGMSPNJQYCF-PMACEKPBSA-N 2 1 322.452 2.599 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CCC([NH2+]C(C)C)CC2)c1 ZINC000569453534 302519217 /nfs/dbraw/zinc/51/92/17/302519217.db2.gz XKLHFYFRIMLSNA-GQCTYLIASA-N 2 1 303.450 2.956 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1Cl ZINC000571526532 302621414 /nfs/dbraw/zinc/62/14/14/302621414.db2.gz VMRQKEUFDPRJBJ-HOTGVXAUSA-N 2 1 323.868 2.591 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182009981 316082511 /nfs/dbraw/zinc/08/25/11/316082511.db2.gz MVMDVAVMINMFPU-HNNXBMFYSA-N 2 1 324.432 2.903 20 0 DFADMP C[C@@H](CCNc1cc[nH+]cc1C(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000184129035 316160076 /nfs/dbraw/zinc/16/00/76/316160076.db2.gz UDQYKPGTKKNEII-AWEZNQCLSA-N 2 1 312.417 2.503 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]12 ZINC000319392008 316251425 /nfs/dbraw/zinc/25/14/25/316251425.db2.gz DEXRNEBNUVKPNC-NWANDNLSSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]12 ZINC000319392008 316251428 /nfs/dbraw/zinc/25/14/28/316251428.db2.gz DEXRNEBNUVKPNC-NWANDNLSSA-N 2 1 301.365 2.650 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000336704695 316299720 /nfs/dbraw/zinc/29/97/20/316299720.db2.gz GUKZXMNAOKSLIG-AABGKKOBSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704695 316299723 /nfs/dbraw/zinc/29/97/23/316299723.db2.gz GUKZXMNAOKSLIG-AABGKKOBSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704695 316299728 /nfs/dbraw/zinc/29/97/28/316299728.db2.gz GUKZXMNAOKSLIG-AABGKKOBSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704695 316299732 /nfs/dbraw/zinc/29/97/32/316299732.db2.gz GUKZXMNAOKSLIG-AABGKKOBSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704695 316299735 /nfs/dbraw/zinc/29/97/35/316299735.db2.gz GUKZXMNAOKSLIG-AABGKKOBSA-N 2 1 313.489 2.867 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000337605302 316302060 /nfs/dbraw/zinc/30/20/60/316302060.db2.gz UVRSIRMDJSCRMI-CVEARBPZSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000337605302 316302062 /nfs/dbraw/zinc/30/20/62/316302062.db2.gz UVRSIRMDJSCRMI-CVEARBPZSA-N 2 1 304.434 2.810 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000349145272 316339603 /nfs/dbraw/zinc/33/96/03/316339603.db2.gz RVXMVMHKRROBLR-QZTJIDSGSA-N 2 1 317.477 2.588 20 0 DFADMP Fc1cccc(F)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000359866208 316565200 /nfs/dbraw/zinc/56/52/00/316565200.db2.gz FWUWYWCQOPUOJG-UHFFFAOYSA-N 2 1 324.415 2.899 20 0 DFADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414787812 316656325 /nfs/dbraw/zinc/65/63/25/316656325.db2.gz LPTPGMIATZJVCY-UHFFFAOYSA-N 2 1 320.387 2.609 20 0 DFADMP CON1CCC([NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000421412540 316736141 /nfs/dbraw/zinc/73/61/41/316736141.db2.gz SXBUSQRPTALMIL-CQSZACIVSA-N 2 1 314.433 2.857 20 0 DFADMP OC1(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCCC1 ZINC000434689717 316911007 /nfs/dbraw/zinc/91/10/07/316911007.db2.gz CGDOFWIHQPNKKZ-UHFFFAOYSA-N 2 1 303.450 2.704 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449387978 317036945 /nfs/dbraw/zinc/03/69/45/317036945.db2.gz YTWOHGCSQZHTSF-JCYILVPMSA-N 2 1 310.482 2.818 20 0 DFADMP CCc1cc(NC[C@H](c2ccccc2)[NH+]2CCOCC2)cc[nH+]1 ZINC000450249098 317076197 /nfs/dbraw/zinc/07/61/97/317076197.db2.gz ZYACKHITDIMNIE-LJQANCHMSA-N 2 1 311.429 2.551 20 0 DFADMP C[N@@H+](CCN1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000450499284 317099868 /nfs/dbraw/zinc/09/98/68/317099868.db2.gz IYQPYLPEAQIUTK-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000450499284 317099870 /nfs/dbraw/zinc/09/98/70/317099870.db2.gz IYQPYLPEAQIUTK-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000450499284 317099873 /nfs/dbraw/zinc/09/98/73/317099873.db2.gz IYQPYLPEAQIUTK-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP COC[C@H]1CCCC[N@H+]1C[C@H](C)C[NH+]1CCCC[C@H]1COC ZINC000452039432 317120951 /nfs/dbraw/zinc/12/09/51/317120951.db2.gz OHOUKGXWKPBOSQ-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP COC[C@H]1CCCC[NH+]1C[C@H](C)C[N@@H+]1CCCC[C@H]1COC ZINC000452039432 317120953 /nfs/dbraw/zinc/12/09/53/317120953.db2.gz OHOUKGXWKPBOSQ-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP COC[C@H]1CCCC[NH+]1C[C@H](C)C[N@H+]1CCCC[C@H]1COC ZINC000452039432 317120956 /nfs/dbraw/zinc/12/09/56/317120956.db2.gz OHOUKGXWKPBOSQ-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CC)OC)[C@H](C)C1 ZINC000453290002 317176824 /nfs/dbraw/zinc/17/68/24/317176824.db2.gz ABUCZYRDZOCVHL-IKGGRYGDSA-N 2 1 300.487 2.528 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000453353272 317179902 /nfs/dbraw/zinc/17/99/02/317179902.db2.gz NPTQPQMOMZZFES-JZIBPQBNSA-N 2 1 323.506 2.916 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000453353272 317179905 /nfs/dbraw/zinc/17/99/05/317179905.db2.gz NPTQPQMOMZZFES-JZIBPQBNSA-N 2 1 323.506 2.916 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)[C@@H](C)C1 ZINC000453368069 317180535 /nfs/dbraw/zinc/18/05/35/317180535.db2.gz MSUAPAAZHSBBHM-KSZLIROESA-N 2 1 312.498 2.530 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000453387197 317182492 /nfs/dbraw/zinc/18/24/92/317182492.db2.gz AZEHUKUUCLDXCU-AWEZNQCLSA-N 2 1 324.490 2.615 20 0 DFADMP CC[C@@H]([NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)C(=O)NC ZINC000453396315 317182697 /nfs/dbraw/zinc/18/26/97/317182697.db2.gz HLMGGBJZPUNZGG-DAWZGUTISA-N 2 1 317.477 2.544 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cncc(Br)c1)C1CC1 ZINC000453590202 317192020 /nfs/dbraw/zinc/19/20/20/317192020.db2.gz AZCSMYMHNRFDDG-UHFFFAOYSA-N 2 1 312.255 2.808 20 0 DFADMP Cc1cc(NC(=O)N(CC[NH+](C)C)CC(C)C)cn2cc[nH+]c12 ZINC000455612180 317209590 /nfs/dbraw/zinc/20/95/90/317209590.db2.gz ARZJLUGYTJKUJW-UHFFFAOYSA-N 2 1 317.437 2.694 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCC(F)(F)CC2)CC1 ZINC000459335410 317320169 /nfs/dbraw/zinc/32/01/69/317320169.db2.gz NZRFPICSGYZESO-AWEZNQCLSA-N 2 1 318.452 2.837 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000487437669 317346247 /nfs/dbraw/zinc/34/62/47/317346247.db2.gz IRGIDGBAAINJOU-WMLDXEAASA-N 2 1 303.450 2.665 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CC1(C)C ZINC000487556793 317347255 /nfs/dbraw/zinc/34/72/55/317347255.db2.gz IPPSDIFOWBKYGJ-BMGDILEWSA-N 2 1 302.462 2.777 20 0 DFADMP CCC[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000488240229 317378521 /nfs/dbraw/zinc/37/85/21/317378521.db2.gz SCFBMPVNFPJMAC-QZTJIDSGSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000542881245 317822421 /nfs/dbraw/zinc/82/24/21/317822421.db2.gz MKAMYYLMPYLMLG-CQSZACIVSA-N 2 1 313.323 2.534 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000573327792 318016662 /nfs/dbraw/zinc/01/66/62/318016662.db2.gz VLXWUERLHFAHQG-CVEARBPZSA-N 2 1 309.498 2.617 20 0 DFADMP CC[NH2+]CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000574629756 318028748 /nfs/dbraw/zinc/02/87/48/318028748.db2.gz QZNMPCJDMIAVMY-XUVXKRRUSA-N 3 1 315.505 2.876 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000574629756 318028749 /nfs/dbraw/zinc/02/87/49/318028749.db2.gz QZNMPCJDMIAVMY-XUVXKRRUSA-N 3 1 315.505 2.876 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000574629756 318028751 /nfs/dbraw/zinc/02/87/51/318028751.db2.gz QZNMPCJDMIAVMY-XUVXKRRUSA-N 3 1 315.505 2.876 20 0 DFADMP CC[C@@H](CC(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000574736612 318037007 /nfs/dbraw/zinc/03/70/07/318037007.db2.gz GMHXSKZLRRVASR-HNNXBMFYSA-N 2 1 318.465 2.844 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(CC[NH3+])CC2)c(F)c1 ZINC000574881733 318047399 /nfs/dbraw/zinc/04/73/99/318047399.db2.gz HWHCJZVMGRPILU-ZDUSSCGKSA-N 2 1 307.413 2.522 20 0 DFADMP C[N@@H+](C[C@H](O)CN[C@H]1CCCc2sc(Cl)cc21)C1CC1 ZINC000574911771 318050034 /nfs/dbraw/zinc/05/00/34/318050034.db2.gz DKWHAWHREAWOQM-YPMHNXCESA-N 2 1 314.882 2.824 20 0 DFADMP CN(C[C@H](O)C[NH2+][C@H]1CCCc2sc(Cl)cc21)C1CC1 ZINC000574911771 318050036 /nfs/dbraw/zinc/05/00/36/318050036.db2.gz DKWHAWHREAWOQM-YPMHNXCESA-N 2 1 314.882 2.824 20 0 DFADMP C[N@@H+](C[C@@H](O)CN[C@H]1CCCc2sc(Cl)cc21)C1CC1 ZINC000574911768 318050256 /nfs/dbraw/zinc/05/02/56/318050256.db2.gz DKWHAWHREAWOQM-AAEUAGOBSA-N 2 1 314.882 2.824 20 0 DFADMP CN(C[C@@H](O)C[NH2+][C@H]1CCCc2sc(Cl)cc21)C1CC1 ZINC000574911768 318050259 /nfs/dbraw/zinc/05/02/59/318050259.db2.gz DKWHAWHREAWOQM-AAEUAGOBSA-N 2 1 314.882 2.824 20 0 DFADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000574994589 318055891 /nfs/dbraw/zinc/05/58/91/318055891.db2.gz AUFXKZMORIXLAT-LSDHHAIUSA-N 2 1 302.821 2.736 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000575755537 318081744 /nfs/dbraw/zinc/08/17/44/318081744.db2.gz SHLAQFBUVHXMOB-LJQANCHMSA-N 2 1 324.472 2.928 20 0 DFADMP C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000575980145 318095520 /nfs/dbraw/zinc/09/55/20/318095520.db2.gz VISHYRVYNQUQBM-LSDHHAIUSA-N 2 1 305.441 2.904 20 0 DFADMP CC[C@@H]1C[N@H+](C)CCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000576137616 318106318 /nfs/dbraw/zinc/10/63/18/318106318.db2.gz IKVOWYBDRHHPGD-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP CC[C@@H]1C[N@@H+](C)CCN1C(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000576137616 318106319 /nfs/dbraw/zinc/10/63/19/318106319.db2.gz IKVOWYBDRHHPGD-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000576219290 318111384 /nfs/dbraw/zinc/11/13/84/318111384.db2.gz NDGMTLCHEVMRBO-IINYFYTJSA-N 2 1 302.447 2.901 20 0 DFADMP O=C([C@@H]1CCCCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000576877738 318156483 /nfs/dbraw/zinc/15/64/83/318156483.db2.gz IJJNWOMCZPZAJL-SFHVURJKSA-N 2 1 321.509 2.633 20 0 DFADMP CC[C@H]([NH2+]CCc1cccc(OC)c1OC)[C@H]1CCCC[NH2+]1 ZINC000577214441 318178742 /nfs/dbraw/zinc/17/87/42/318178742.db2.gz TUMIKXVOJXMORZ-JKSUJKDBSA-N 2 1 306.450 2.757 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000577232150 318180163 /nfs/dbraw/zinc/18/01/63/318180163.db2.gz XGWHVDKFJYOYIU-QZTJIDSGSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@H]1C[C@@H](CCNC(=O)CCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000577511108 318198434 /nfs/dbraw/zinc/19/84/34/318198434.db2.gz ZRSUEZKRNNAVET-FUHWJXTLSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000577720292 318212162 /nfs/dbraw/zinc/21/21/62/318212162.db2.gz IILVYRXUWDAHSE-APWZRJJASA-N 2 1 301.478 2.760 20 0 DFADMP CN(C(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000578536604 318268468 /nfs/dbraw/zinc/26/84/68/318268468.db2.gz JGHWDFUJTIVUBE-HZPDHXFCSA-N 2 1 323.868 2.543 20 0 DFADMP CCN(C)C[C@H](O)C[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000578904919 318294549 /nfs/dbraw/zinc/29/45/49/318294549.db2.gz UNYCWUYHMWTDBW-KRWDZBQOSA-N 2 1 308.441 2.626 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000578904919 318294551 /nfs/dbraw/zinc/29/45/51/318294551.db2.gz UNYCWUYHMWTDBW-KRWDZBQOSA-N 2 1 308.441 2.626 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000578904919 318294553 /nfs/dbraw/zinc/29/45/53/318294553.db2.gz UNYCWUYHMWTDBW-KRWDZBQOSA-N 2 1 308.441 2.626 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCc3cn[nH]c3)C2)s1 ZINC000579014937 318302441 /nfs/dbraw/zinc/30/24/41/318302441.db2.gz YCLFSHIWEKFWDO-MRXNPFEDSA-N 2 1 318.490 2.776 20 0 DFADMP C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000579109932 318307941 /nfs/dbraw/zinc/30/79/41/318307941.db2.gz VBIWSNOAVBLHAX-LSDHHAIUSA-N 2 1 303.450 2.881 20 0 DFADMP Cc1ccc(C[N@@H+](C)CCC[NH+](C)C)c(-c2ccnn2C)c1 ZINC000579291489 318319670 /nfs/dbraw/zinc/31/96/70/318319670.db2.gz RYYDAPQCFXPANM-UHFFFAOYSA-N 2 1 300.450 2.779 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000579369939 318326453 /nfs/dbraw/zinc/32/64/53/318326453.db2.gz SCUOSUHMQFKRAK-WCQYABFASA-N 2 1 302.340 2.939 20 0 DFADMP CC(C)C[C@H]([NH3+])CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000579377322 318327537 /nfs/dbraw/zinc/32/75/37/318327537.db2.gz MNOFNPBTEZYBBO-RBUKOAKNSA-N 2 1 303.494 2.609 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000579444958 318330652 /nfs/dbraw/zinc/33/06/52/318330652.db2.gz KEAHFTFIOPPHBH-MRXNPFEDSA-N 2 1 310.445 2.998 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000579444958 318330656 /nfs/dbraw/zinc/33/06/56/318330656.db2.gz KEAHFTFIOPPHBH-MRXNPFEDSA-N 2 1 310.445 2.998 20 0 DFADMP CON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379629018 323289936 /nfs/dbraw/zinc/28/99/36/323289936.db2.gz JSBSWRMWUNFRSQ-QFBILLFUSA-N 2 1 317.477 2.655 20 0 DFADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379629018 323289940 /nfs/dbraw/zinc/28/99/40/323289940.db2.gz JSBSWRMWUNFRSQ-QFBILLFUSA-N 2 1 317.477 2.655 20 0 DFADMP C[C@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000380929740 323292996 /nfs/dbraw/zinc/29/29/96/323292996.db2.gz FMNPTOXTVXNUDR-STQMWFEESA-N 2 1 311.470 2.505 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000382712577 323301552 /nfs/dbraw/zinc/30/15/52/323301552.db2.gz WCERTMBLAXTLNU-OALUTQOASA-N 2 1 315.505 2.973 20 0 DFADMP CCN(CCC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382826385 323302269 /nfs/dbraw/zinc/30/22/69/323302269.db2.gz DGVDZPRJKPFBQG-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H](CN)[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000382970180 323303293 /nfs/dbraw/zinc/30/32/93/323303293.db2.gz AZEVHTHIXGSXKU-VIFPVBQESA-N 2 1 304.221 2.601 20 0 DFADMP C[C@@H](CN)[N@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000382970180 323303292 /nfs/dbraw/zinc/30/32/92/323303292.db2.gz AZEVHTHIXGSXKU-VIFPVBQESA-N 2 1 304.221 2.601 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000386803414 323320879 /nfs/dbraw/zinc/32/08/79/323320879.db2.gz CDKXCSZHZLKKOE-MSOLQXFVSA-N 2 1 301.478 2.758 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000386803414 323320882 /nfs/dbraw/zinc/32/08/82/323320882.db2.gz CDKXCSZHZLKKOE-MSOLQXFVSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000389787630 323337341 /nfs/dbraw/zinc/33/73/41/323337341.db2.gz NBHPZSXGXOVXFL-BVBHFADKSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@H]1C[NH3+] ZINC000389787630 323337346 /nfs/dbraw/zinc/33/73/46/323337346.db2.gz NBHPZSXGXOVXFL-BVBHFADKSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000389787634 323337575 /nfs/dbraw/zinc/33/75/75/323337575.db2.gz NBHPZSXGXOVXFL-YSHGAJCASA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000389787634 323337579 /nfs/dbraw/zinc/33/75/79/323337579.db2.gz NBHPZSXGXOVXFL-YSHGAJCASA-N 2 1 301.478 2.614 20 0 DFADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)O[C@H](C)C2 ZINC000391512672 323346460 /nfs/dbraw/zinc/34/64/60/323346460.db2.gz QOQPXIRWSWIBPZ-GFOFROLCSA-N 2 1 316.445 2.578 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000580470667 323390633 /nfs/dbraw/zinc/39/06/33/323390633.db2.gz OHDVWHIXHXUDCO-UHFFFAOYSA-N 2 1 314.433 2.527 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000584540622 337359611 /nfs/dbraw/zinc/35/96/11/337359611.db2.gz GGCJHRDQARHWHO-VXGBXAGGSA-N 2 1 312.255 2.837 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294978328 533756399 /nfs/dbraw/zinc/75/63/99/533756399.db2.gz JOYWPIDUMMSUBF-HZTRTUMWSA-N 2 1 318.461 2.850 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]CCc2cccc(Cl)c2)CCCO1 ZINC000298155253 533940534 /nfs/dbraw/zinc/94/05/34/533940534.db2.gz RXXZPLXFYQWTTH-HNNXBMFYSA-N 2 1 310.869 2.973 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2cnn(C)c2)c1 ZINC000292677928 533950227 /nfs/dbraw/zinc/95/02/27/533950227.db2.gz AKTRZNMDMGALQB-HXUWFJFHSA-N 2 1 324.472 2.923 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(-c2cnn(C)c2)c1 ZINC000292677928 533950233 /nfs/dbraw/zinc/95/02/33/533950233.db2.gz AKTRZNMDMGALQB-HXUWFJFHSA-N 2 1 324.472 2.923 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(-c2cnn(C)c2)c1 ZINC000292677928 533950235 /nfs/dbraw/zinc/95/02/35/533950235.db2.gz AKTRZNMDMGALQB-HXUWFJFHSA-N 2 1 324.472 2.923 20 0 DFADMP Cc1cc[nH+]c(N(C)C2CC[NH+](CCc3ccccn3)CC2)c1 ZINC000302696122 534394106 /nfs/dbraw/zinc/39/41/06/534394106.db2.gz WIRCGLAUVTZKPY-UHFFFAOYSA-N 2 1 310.445 2.928 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCSC3)sc2C1 ZINC000364842260 519691576 /nfs/dbraw/zinc/69/15/76/519691576.db2.gz DMYAQPQGQMREFD-GFCCVEGCSA-N 2 1 311.520 2.752 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCSC3)sc2C1 ZINC000364842260 519691578 /nfs/dbraw/zinc/69/15/78/519691578.db2.gz DMYAQPQGQMREFD-GFCCVEGCSA-N 2 1 311.520 2.752 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000296584677 534448084 /nfs/dbraw/zinc/44/80/84/534448084.db2.gz UOKJCCUGRRIVMH-MDZLAQPJSA-N 2 1 301.356 2.919 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000296584677 534448089 /nfs/dbraw/zinc/44/80/89/534448089.db2.gz UOKJCCUGRRIVMH-MDZLAQPJSA-N 2 1 301.356 2.919 20 0 DFADMP CC(C)OCC[N@@H+](C)[C@@H]1CCC[NH+](CCOC(C)C)CC1 ZINC000156945196 519765272 /nfs/dbraw/zinc/76/52/72/519765272.db2.gz UUHYLGNYUVUMNS-QGZVFWFLSA-N 2 1 300.487 2.623 20 0 DFADMP CC(C)OCC[NH+](C)[C@@H]1CCC[N@H+](CCOC(C)C)CC1 ZINC000156945196 519765273 /nfs/dbraw/zinc/76/52/73/519765273.db2.gz UUHYLGNYUVUMNS-QGZVFWFLSA-N 2 1 300.487 2.623 20 0 DFADMP CC(C)OCC[NH+](C)[C@@H]1CCC[N@@H+](CCOC(C)C)CC1 ZINC000156945196 519765275 /nfs/dbraw/zinc/76/52/75/519765275.db2.gz UUHYLGNYUVUMNS-QGZVFWFLSA-N 2 1 300.487 2.623 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000154593994 521211713 /nfs/dbraw/zinc/21/17/13/521211713.db2.gz KRFUZHZGUSBIKM-DYVFJYSZSA-N 2 1 314.433 2.875 20 0 DFADMP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154372589 522615044 /nfs/dbraw/zinc/61/50/44/522615044.db2.gz WNHCRCQKCABGMI-KBPBESRZSA-N 2 1 316.898 2.723 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848543 523839397 /nfs/dbraw/zinc/83/93/97/523839397.db2.gz ALWZTTYUDIOLHL-HIFRSBDPSA-N 2 1 323.868 2.576 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000366002374 524004345 /nfs/dbraw/zinc/00/43/45/524004345.db2.gz VJBYCFOCSMZKMP-AWEZNQCLSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000366002374 524004349 /nfs/dbraw/zinc/00/43/49/524004349.db2.gz VJBYCFOCSMZKMP-AWEZNQCLSA-N 2 1 303.381 2.725 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309886330 527893085 /nfs/dbraw/zinc/89/30/85/527893085.db2.gz LGPLEXWDAXCVNF-PKOBYXMFSA-N 2 1 317.477 2.532 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299497136 528815128 /nfs/dbraw/zinc/81/51/28/528815128.db2.gz KLIMYGCOVVHNQW-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362681460 535176512 /nfs/dbraw/zinc/17/65/12/535176512.db2.gz POAASIAHSQYTRV-MRXNPFEDSA-N 2 1 317.477 2.598 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175110444 535216792 /nfs/dbraw/zinc/21/67/92/535216792.db2.gz LBIIVVSHEBGOHO-INIZCTEOSA-N 2 1 311.514 2.686 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000262701031 535526039 /nfs/dbraw/zinc/52/60/39/535526039.db2.gz HZKHFMRPKSRZBM-LJQANCHMSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000262701031 535526043 /nfs/dbraw/zinc/52/60/43/535526043.db2.gz HZKHFMRPKSRZBM-LJQANCHMSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000262703054 535528385 /nfs/dbraw/zinc/52/83/85/535528385.db2.gz KAMRAWQFXWLZSZ-WMLDXEAASA-N 2 1 323.506 2.594 20 0 DFADMP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245455999 535646797 /nfs/dbraw/zinc/64/67/97/535646797.db2.gz SWKCTRSRFGAUIX-FUHWJXTLSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245455999 535646801 /nfs/dbraw/zinc/64/68/01/535646801.db2.gz SWKCTRSRFGAUIX-FUHWJXTLSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245455999 535646807 /nfs/dbraw/zinc/64/68/07/535646807.db2.gz SWKCTRSRFGAUIX-FUHWJXTLSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245455999 535646813 /nfs/dbraw/zinc/64/68/13/535646813.db2.gz SWKCTRSRFGAUIX-FUHWJXTLSA-N 2 1 318.461 2.925 20 0 DFADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccccc1 ZINC000361163184 535703095 /nfs/dbraw/zinc/70/30/95/535703095.db2.gz JHBHSODZJZERCE-MSOLQXFVSA-N 2 1 317.477 2.705 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([C@@H]4C[C@H]4C)o3)C2)CC1 ZINC000245701353 535735769 /nfs/dbraw/zinc/73/57/69/535735769.db2.gz DBUIAVPDDYKEAB-JFIYKMOQSA-N 2 1 317.477 2.615 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)sc3C)C2)CC1 ZINC000171527259 535738392 /nfs/dbraw/zinc/73/83/92/535738392.db2.gz XYYNFXZNHFUZSO-QGZVFWFLSA-N 2 1 307.507 2.577 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245547904 535944351 /nfs/dbraw/zinc/94/43/51/535944351.db2.gz WUEUSKVVFMCEEO-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245547904 535944356 /nfs/dbraw/zinc/94/43/56/535944356.db2.gz WUEUSKVVFMCEEO-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP CCc1ncc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261606002 536167520 /nfs/dbraw/zinc/16/75/20/536167520.db2.gz BEROGGHJMKFXHI-ZBFHGGJFSA-N 2 1 301.459 2.880 20 0 DFADMP C[NH2+][C@@H](C)Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000261773195 536350173 /nfs/dbraw/zinc/35/01/73/536350173.db2.gz NINLKSZHESULEN-HOCLYGCPSA-N 2 1 314.433 2.600 20 0 DFADMP C[NH2+][C@H](C)Cc1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000261895488 536406098 /nfs/dbraw/zinc/40/60/98/536406098.db2.gz XXMNZGLWTIIPSD-UKRRQHHQSA-N 2 1 300.406 2.557 20 0 DFADMP C[NH2+][C@H](C)Cc1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000261895488 536406100 /nfs/dbraw/zinc/40/61/00/536406100.db2.gz XXMNZGLWTIIPSD-UKRRQHHQSA-N 2 1 300.406 2.557 20 0 DFADMP Cn1ccc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)n1 ZINC000354649514 536480437 /nfs/dbraw/zinc/48/04/37/536480437.db2.gz WHSBINFBRKOZCU-UHFFFAOYSA-N 2 1 314.477 2.710 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000262065364 536573144 /nfs/dbraw/zinc/57/31/44/536573144.db2.gz FLHYNFFXVFSACV-CWRNSKLLSA-N 2 1 304.434 2.571 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c(OC)c1 ZINC000262368636 536897981 /nfs/dbraw/zinc/89/79/81/536897981.db2.gz XGUWLVGKWRPIRK-YESZJQIVSA-N 2 1 304.434 2.714 20 0 DFADMP C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914566 545750622 /nfs/dbraw/zinc/75/06/22/545750622.db2.gz INQQENZBNXZHQE-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1ncccc1C(F)(F)F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914566 545750623 /nfs/dbraw/zinc/75/06/23/545750623.db2.gz INQQENZBNXZHQE-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681927684 545754017 /nfs/dbraw/zinc/75/40/17/545754017.db2.gz LPVLQSJEEZRSON-INIZCTEOSA-N 2 1 311.429 2.555 20 0 DFADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681927684 545754022 /nfs/dbraw/zinc/75/40/22/545754022.db2.gz LPVLQSJEEZRSON-INIZCTEOSA-N 2 1 311.429 2.555 20 0 DFADMP Cc1nccc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000682027804 545779430 /nfs/dbraw/zinc/77/94/30/545779430.db2.gz ITNSEEIFOHKHAT-KRWDZBQOSA-N 2 1 302.466 2.840 20 0 DFADMP Cc1nccc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000682027804 545779434 /nfs/dbraw/zinc/77/94/34/545779434.db2.gz ITNSEEIFOHKHAT-KRWDZBQOSA-N 2 1 302.466 2.840 20 0 DFADMP C[C@@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682409242 545842060 /nfs/dbraw/zinc/84/20/60/545842060.db2.gz LHLOGZZIFDUEET-GPMSIDNRSA-N 2 1 320.477 2.608 20 0 DFADMP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682777820 545913725 /nfs/dbraw/zinc/91/37/25/545913725.db2.gz SKYQGEFUCOIPPY-VUHPKUFZSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682777820 545913729 /nfs/dbraw/zinc/91/37/29/545913729.db2.gz SKYQGEFUCOIPPY-VUHPKUFZSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@H](C)[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000682777820 545913731 /nfs/dbraw/zinc/91/37/31/545913731.db2.gz SKYQGEFUCOIPPY-VUHPKUFZSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000682777820 545913734 /nfs/dbraw/zinc/91/37/34/545913734.db2.gz SKYQGEFUCOIPPY-VUHPKUFZSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1CSCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000683109966 545973522 /nfs/dbraw/zinc/97/35/22/545973522.db2.gz VJPBEZNBOVDXOJ-HNNXBMFYSA-N 2 1 308.491 2.812 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCCc1cnn(C)c1 ZINC000683225027 545992011 /nfs/dbraw/zinc/99/20/11/545992011.db2.gz UNYPVKUKYXWKTE-UHFFFAOYSA-N 2 1 303.454 2.524 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCCc1cnn(C)c1 ZINC000683225027 545992014 /nfs/dbraw/zinc/99/20/14/545992014.db2.gz UNYPVKUKYXWKTE-UHFFFAOYSA-N 2 1 303.454 2.524 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)c2ccccc21 ZINC000683693313 546077391 /nfs/dbraw/zinc/07/73/91/546077391.db2.gz VKRYRYAIKWAHBS-RTBURBONSA-N 2 1 302.462 2.917 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000683719828 546081621 /nfs/dbraw/zinc/08/16/21/546081621.db2.gz BTZJSVUZIZLTBL-GJZGRUSLSA-N 2 1 323.444 2.933 20 0 DFADMP Cn1cnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1 ZINC000683898082 546114627 /nfs/dbraw/zinc/11/46/27/546114627.db2.gz KQLJQYTWSJUXBQ-UHFFFAOYSA-N 2 1 312.461 2.764 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3[nH]2)CCCO1 ZINC000683930836 546122689 /nfs/dbraw/zinc/12/26/89/546122689.db2.gz DCUXYDGQWBFZPZ-HNNXBMFYSA-N 2 1 301.434 2.758 20 0 DFADMP CC[N@@H+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)C[C@@H]1C ZINC000684580109 546247233 /nfs/dbraw/zinc/24/72/33/546247233.db2.gz VJHLDFUFKDAWCH-LBPRGKRZSA-N 2 1 303.381 2.913 20 0 DFADMP CC[N@H+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)C[C@@H]1C ZINC000684580109 546247236 /nfs/dbraw/zinc/24/72/36/546247236.db2.gz VJHLDFUFKDAWCH-LBPRGKRZSA-N 2 1 303.381 2.913 20 0 DFADMP C[C@H](CO)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCC1 ZINC000685431601 546348479 /nfs/dbraw/zinc/34/84/79/546348479.db2.gz YMXIMPZMZVMZDQ-MRXNPFEDSA-N 2 1 320.477 2.610 20 0 DFADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1 ZINC000821099572 606416653 /nfs/dbraw/zinc/41/66/53/606416653.db2.gz JKPOPGRREXUMGK-UHFFFAOYSA-N 2 1 322.482 2.530 20 0 DFADMP COc1cccc(OC)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000286538371 219042827 /nfs/dbraw/zinc/04/28/27/219042827.db2.gz OASHUKZNMZTWJU-UHFFFAOYSA-N 2 1 303.406 2.779 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CCSC3)c2)CCO1 ZINC000278317120 214085924 /nfs/dbraw/zinc/08/59/24/214085924.db2.gz DOSNRFVXHLRXEZ-YJBOKZPZSA-N 2 1 320.502 2.750 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CCSC3)c2)CCO1 ZINC000278317120 214085927 /nfs/dbraw/zinc/08/59/27/214085927.db2.gz DOSNRFVXHLRXEZ-YJBOKZPZSA-N 2 1 320.502 2.750 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278516228 214206931 /nfs/dbraw/zinc/20/69/31/214206931.db2.gz MMQKYOKBRRPBAV-JKSUJKDBSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278516228 214206932 /nfs/dbraw/zinc/20/69/32/214206932.db2.gz MMQKYOKBRRPBAV-JKSUJKDBSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000278624039 214283719 /nfs/dbraw/zinc/28/37/19/214283719.db2.gz GLBOTTQYLKHEDJ-OQIJWPOYSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309698856 231103312 /nfs/dbraw/zinc/10/33/12/231103312.db2.gz FJZGFZFDTXLLHL-KRWDZBQOSA-N 2 1 302.462 2.745 20 0 DFADMP OCCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310010747 231109344 /nfs/dbraw/zinc/10/93/44/231109344.db2.gz KFEJAVSKPNNPAY-OALUTQOASA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310010747 231109348 /nfs/dbraw/zinc/10/93/48/231109348.db2.gz KFEJAVSKPNNPAY-OALUTQOASA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310010747 231109351 /nfs/dbraw/zinc/10/93/51/231109351.db2.gz KFEJAVSKPNNPAY-OALUTQOASA-N 2 1 302.462 2.603 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccccc3C2)CCCO1 ZINC000278737344 214365093 /nfs/dbraw/zinc/36/50/93/214365093.db2.gz WNUXAHCHJPCFEP-QFBILLFUSA-N 2 1 302.462 2.634 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccccc3C2)CCCO1 ZINC000278737344 214365094 /nfs/dbraw/zinc/36/50/94/214365094.db2.gz WNUXAHCHJPCFEP-QFBILLFUSA-N 2 1 302.462 2.634 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)nc1 ZINC000278767803 214387375 /nfs/dbraw/zinc/38/73/75/214387375.db2.gz XSAZFGJUJHMXAB-ZIAGYGMSSA-N 2 1 311.857 2.887 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)nc1 ZINC000278767803 214387379 /nfs/dbraw/zinc/38/73/79/214387379.db2.gz XSAZFGJUJHMXAB-ZIAGYGMSSA-N 2 1 311.857 2.887 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@@H]2CCCC[NH+]2C1)C1CCCCC1 ZINC000081524726 398356112 /nfs/dbraw/zinc/35/61/12/398356112.db2.gz YTDMWCLNWHDHPW-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CCCCC1 ZINC000081524726 398356117 /nfs/dbraw/zinc/35/61/17/398356117.db2.gz YTDMWCLNWHDHPW-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCNC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1)C1CCCCC1 ZINC000081524726 398356119 /nfs/dbraw/zinc/35/61/19/398356119.db2.gz YTDMWCLNWHDHPW-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591906978 398349376 /nfs/dbraw/zinc/34/93/76/398349376.db2.gz WUWIEXJWQWUUEW-ZBFHGGJFSA-N 2 1 306.454 2.523 20 0 DFADMP CCCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591906978 398349378 /nfs/dbraw/zinc/34/93/78/398349378.db2.gz WUWIEXJWQWUUEW-ZBFHGGJFSA-N 2 1 306.454 2.523 20 0 DFADMP CCCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591906978 398349380 /nfs/dbraw/zinc/34/93/80/398349380.db2.gz WUWIEXJWQWUUEW-ZBFHGGJFSA-N 2 1 306.454 2.523 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000066041561 398355507 /nfs/dbraw/zinc/35/55/07/398355507.db2.gz SNMFDCCBGLCHAC-QGZVFWFLSA-N 2 1 317.477 2.670 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000066041615 398355592 /nfs/dbraw/zinc/35/55/92/398355592.db2.gz DZACMJMEIPTSIV-QGZVFWFLSA-N 2 1 317.477 2.670 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000081631296 398363485 /nfs/dbraw/zinc/36/34/85/398363485.db2.gz CWOBJZOTPSBXDR-CQSZACIVSA-N 2 1 308.388 2.619 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000081631296 398363487 /nfs/dbraw/zinc/36/34/87/398363487.db2.gz CWOBJZOTPSBXDR-CQSZACIVSA-N 2 1 308.388 2.619 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000081631296 398363490 /nfs/dbraw/zinc/36/34/90/398363490.db2.gz CWOBJZOTPSBXDR-CQSZACIVSA-N 2 1 308.388 2.619 20 0 DFADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081718441 398367788 /nfs/dbraw/zinc/36/77/88/398367788.db2.gz UFSHBEBHLRXDRO-ZWKOTPCHSA-N 2 1 321.509 2.633 20 0 DFADMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)N(C)C)c1 ZINC000237308861 398369504 /nfs/dbraw/zinc/36/95/04/398369504.db2.gz OKGNWKCVEUYASD-LJQANCHMSA-N 2 1 319.493 2.760 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1C[C@H]1c1ccccc1 ZINC000355218355 282215408 /nfs/dbraw/zinc/21/54/08/282215408.db2.gz HSXNRLPNUUETLU-OBKDMQGPSA-N 2 1 314.473 2.974 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000279032119 214586050 /nfs/dbraw/zinc/58/60/50/214586050.db2.gz WFCWEMBJDQICIS-UONOGXRCSA-N 2 1 315.417 2.814 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090181375 185285262 /nfs/dbraw/zinc/28/52/62/185285262.db2.gz SEZPNLAAUMHNQW-CJNGLKHVSA-N 2 1 324.428 2.595 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000278209132 214025314 /nfs/dbraw/zinc/02/53/14/214025314.db2.gz HLBQLOWEOZLCJH-QAPCUYQASA-N 2 1 317.477 2.789 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000090546871 185302051 /nfs/dbraw/zinc/30/20/51/185302051.db2.gz WTQIKMJCNIERQE-YCPHGPKFSA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000090546871 185302052 /nfs/dbraw/zinc/30/20/52/185302052.db2.gz WTQIKMJCNIERQE-YCPHGPKFSA-N 2 1 304.434 2.666 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1CCC(F)(F)CC1 ZINC000459374806 299090131 /nfs/dbraw/zinc/09/01/31/299090131.db2.gz YHLRFVXPAHAKET-OWCLPIDISA-N 2 1 316.436 2.995 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@H]1SC ZINC000459374781 299090954 /nfs/dbraw/zinc/09/09/54/299090954.db2.gz MFSCVUUAZBHWEM-MWDXBVQZSA-N 2 1 314.539 2.997 20 0 DFADMP C[NH+](C)[C@@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000092562358 185325984 /nfs/dbraw/zinc/32/59/84/185325984.db2.gz IMIZTCLHNILDNJ-GPANFISMSA-N 2 1 310.482 2.817 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCSC1CCCCC1)CCO2 ZINC000592183860 398399186 /nfs/dbraw/zinc/39/91/86/398399186.db2.gz CGNTUCRPSFJSGX-UHFFFAOYSA-N 2 1 312.523 2.849 20 0 DFADMP C[C@@H](NCCc1cncn1C)c1nc(-c2cccc(F)c2)no1 ZINC000459412856 299100232 /nfs/dbraw/zinc/10/02/32/299100232.db2.gz WAIZEQQTPOZFQQ-LLVKDONJSA-N 2 1 315.352 2.503 20 0 DFADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000459421043 299101978 /nfs/dbraw/zinc/10/19/78/299101978.db2.gz YRAZDEGLALTUGR-HNNXBMFYSA-N 2 1 316.493 2.712 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000459421745 299102185 /nfs/dbraw/zinc/10/21/85/299102185.db2.gz ZNLBLLONWJKDJW-KRWDZBQOSA-N 2 1 310.869 2.709 20 0 DFADMP O[C@@]1(C[NH2+]C2CC3(CCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000459429456 299103448 /nfs/dbraw/zinc/10/34/48/299103448.db2.gz KSYZMEPQFULSNH-LJQANCHMSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@@]1(C[NH2+]C2CC3(CCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459429456 299103452 /nfs/dbraw/zinc/10/34/52/299103452.db2.gz KSYZMEPQFULSNH-LJQANCHMSA-N 2 1 300.446 2.546 20 0 DFADMP CC(C)[C@@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000261423446 398428648 /nfs/dbraw/zinc/42/86/48/398428648.db2.gz ILQYLGBGSLNMRA-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000261423446 398428650 /nfs/dbraw/zinc/42/86/50/398428650.db2.gz ILQYLGBGSLNMRA-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261423446 398428651 /nfs/dbraw/zinc/42/86/51/398428651.db2.gz ILQYLGBGSLNMRA-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000261423446 398428653 /nfs/dbraw/zinc/42/86/53/398428653.db2.gz ILQYLGBGSLNMRA-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[NH+]1CCC(Nc2nc(N3CCCC3)cc[nH+]2)CC1 ZINC000592455151 398427968 /nfs/dbraw/zinc/42/79/68/398427968.db2.gz BIFJKKWSRVTWJM-UHFFFAOYSA-N 2 1 303.454 2.609 20 0 DFADMP CC(C)[C@H](C[NH2+]Cc1ccc([C@H]2C[C@H]2C)o1)N1CC[NH+](C)CC1 ZINC000261708470 398429137 /nfs/dbraw/zinc/42/91/37/398429137.db2.gz KRIKIKXQJKPKDS-NJAFHUGGSA-N 2 1 319.493 2.765 20 0 DFADMP COC(=O)[C@H]1c2ccccc2CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493329 398433546 /nfs/dbraw/zinc/43/35/46/398433546.db2.gz LEJNSEHTAGHOBQ-GOSISDBHSA-N 2 1 316.445 2.539 20 0 DFADMP COC(=O)[C@H]1c2ccccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000592493329 398433547 /nfs/dbraw/zinc/43/35/47/398433547.db2.gz LEJNSEHTAGHOBQ-GOSISDBHSA-N 2 1 316.445 2.539 20 0 DFADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491670 398433763 /nfs/dbraw/zinc/43/37/63/398433763.db2.gz GLJQQDWOIMKBIT-CVEARBPZSA-N 2 1 316.445 2.685 20 0 DFADMP C[C@@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000263234690 398434195 /nfs/dbraw/zinc/43/41/95/398434195.db2.gz DCPHCEGQEQAIGG-IKGGRYGDSA-N 2 1 323.525 2.639 20 0 DFADMP COCc1cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000459460038 299112375 /nfs/dbraw/zinc/11/23/75/299112375.db2.gz IMVGCXXSRXVQHK-ZIAGYGMSSA-N 2 1 307.438 2.564 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000586768329 398456011 /nfs/dbraw/zinc/45/60/11/398456011.db2.gz QVSJFYKCYUPIKV-MRXNPFEDSA-N 2 1 304.434 2.631 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H]2COc3ccccc3O2)CC1 ZINC000586768329 398456012 /nfs/dbraw/zinc/45/60/12/398456012.db2.gz QVSJFYKCYUPIKV-MRXNPFEDSA-N 2 1 304.434 2.631 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000090044350 398474419 /nfs/dbraw/zinc/47/44/19/398474419.db2.gz PYIWJSCQHPEAFU-KBPBESRZSA-N 2 1 316.474 2.677 20 0 DFADMP CC[C@@]1(C)COCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681490915 545652651 /nfs/dbraw/zinc/65/26/51/545652651.db2.gz FEOWYXHEZCVZAD-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP c1ccc2nc(NCC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000090229576 398485478 /nfs/dbraw/zinc/48/54/78/398485478.db2.gz FCVPHZDYDFGMCU-IAGOWNOFSA-N 2 1 310.445 2.863 20 0 DFADMP COC(=O)c1cc([C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)oc1C ZINC000292893452 398487105 /nfs/dbraw/zinc/48/71/05/398487105.db2.gz GBKCYVFEWMYNPI-FZKQIMNGSA-N 2 1 320.433 2.853 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090718706 398491934 /nfs/dbraw/zinc/49/19/34/398491934.db2.gz HVPFQBWEKOSUAF-YJBOKZPZSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000090806495 398493000 /nfs/dbraw/zinc/49/30/00/398493000.db2.gz ZOEFIKPFZWHDSI-QAPCUYQASA-N 2 1 306.450 2.532 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090806937 398492688 /nfs/dbraw/zinc/49/26/88/398492688.db2.gz GYKHDYOKWPZLTJ-RVKKMQEKSA-N 2 1 306.450 2.530 20 0 DFADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CC1 ZINC000090723246 398492826 /nfs/dbraw/zinc/49/28/26/398492826.db2.gz QXTDKKVAXDPDHB-OKZBNKHCSA-N 2 1 324.509 2.672 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000272713136 210118349 /nfs/dbraw/zinc/11/83/49/210118349.db2.gz ADLGUAXTVAEXAS-CYBMUJFWSA-N 2 1 300.406 2.891 20 0 DFADMP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272705142 210108793 /nfs/dbraw/zinc/10/87/93/210108793.db2.gz UAYMNQAZOVREFG-OQIJWPOYSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)(C)OC(=O)[C@]1(C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000459558893 299132802 /nfs/dbraw/zinc/13/28/02/299132802.db2.gz JYUOSUYNOVGTIO-GOSISDBHSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000091334625 398525878 /nfs/dbraw/zinc/52/58/78/398525878.db2.gz DXBHWTRRPVRRIS-CABCVRRESA-N 2 1 318.383 2.915 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000121477090 185806164 /nfs/dbraw/zinc/80/61/64/185806164.db2.gz KGDICSPIJVDRPW-KBPBESRZSA-N 2 1 315.417 2.950 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592649 299143086 /nfs/dbraw/zinc/14/30/86/299143086.db2.gz VEZRWJWNOMUJQA-CRAIPNDOSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592649 299143088 /nfs/dbraw/zinc/14/30/88/299143088.db2.gz VEZRWJWNOMUJQA-CRAIPNDOSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592649 299143092 /nfs/dbraw/zinc/14/30/92/299143092.db2.gz VEZRWJWNOMUJQA-CRAIPNDOSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000414130903 295770725 /nfs/dbraw/zinc/77/07/25/295770725.db2.gz XBAJVNIYUQKLIB-DJIMGWMZSA-N 2 1 310.869 2.878 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000459599516 299145309 /nfs/dbraw/zinc/14/53/09/299145309.db2.gz QZBGULDEGZHXKI-UHFFFAOYSA-N 3 1 302.466 2.514 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272612509 210014233 /nfs/dbraw/zinc/01/42/33/210014233.db2.gz WOBKMHWOVIVDIS-UHZRXMQZSA-N 2 1 314.473 2.790 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000320859271 398549788 /nfs/dbraw/zinc/54/97/88/398549788.db2.gz QAUGHBGQKKKOGO-KRWDZBQOSA-N 2 1 323.525 2.737 20 0 DFADMP COc1cc(OC)c(OC)cc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000321186062 398551680 /nfs/dbraw/zinc/55/16/80/398551680.db2.gz ULCXDMLOWDBWGW-CQSZACIVSA-N 2 1 322.449 2.532 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000321186062 398551682 /nfs/dbraw/zinc/55/16/82/398551682.db2.gz ULCXDMLOWDBWGW-CQSZACIVSA-N 2 1 322.449 2.532 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000321186062 398551686 /nfs/dbraw/zinc/55/16/86/398551686.db2.gz ULCXDMLOWDBWGW-CQSZACIVSA-N 2 1 322.449 2.532 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597046768 398554721 /nfs/dbraw/zinc/55/47/21/398554721.db2.gz KQISPDREXJFOOV-CYBMUJFWSA-N 2 1 310.825 2.558 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597046768 398554726 /nfs/dbraw/zinc/55/47/26/398554726.db2.gz KQISPDREXJFOOV-CYBMUJFWSA-N 2 1 310.825 2.558 20 0 DFADMP CCCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000681548462 545671225 /nfs/dbraw/zinc/67/12/25/545671225.db2.gz YYZCBHCQBDGQNU-UHFFFAOYSA-N 2 1 303.406 2.550 20 0 DFADMP Cc1cc(C)n(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000069222259 398556947 /nfs/dbraw/zinc/55/69/47/398556947.db2.gz SNDGIQNSDRRVTB-LJQANCHMSA-N 2 1 318.509 2.944 20 0 DFADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000069222259 398556951 /nfs/dbraw/zinc/55/69/51/398556951.db2.gz SNDGIQNSDRRVTB-LJQANCHMSA-N 2 1 318.509 2.944 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+](C)CC(C)C)cc1F ZINC000597159048 398578556 /nfs/dbraw/zinc/57/85/56/398578556.db2.gz VOYKWSBABSYFTG-UHFFFAOYSA-N 2 1 310.413 2.680 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc1F ZINC000597159048 398578560 /nfs/dbraw/zinc/57/85/60/398578560.db2.gz VOYKWSBABSYFTG-UHFFFAOYSA-N 2 1 310.413 2.680 20 0 DFADMP CC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000438187222 297084156 /nfs/dbraw/zinc/08/41/56/297084156.db2.gz GPHJJVTWLLEMCJ-MSOLQXFVSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000438187222 297084158 /nfs/dbraw/zinc/08/41/58/297084158.db2.gz GPHJJVTWLLEMCJ-MSOLQXFVSA-N 2 1 304.478 2.895 20 0 DFADMP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)ccc1OC ZINC000069754084 398582773 /nfs/dbraw/zinc/58/27/73/398582773.db2.gz KCLCMWAVBQUCBV-UHFFFAOYSA-N 2 1 303.406 2.779 20 0 DFADMP CC(C)C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126325 398599039 /nfs/dbraw/zinc/59/90/39/398599039.db2.gz DTUVQEZETRROIB-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126325 398599044 /nfs/dbraw/zinc/59/90/44/398599044.db2.gz DTUVQEZETRROIB-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126325 398599046 /nfs/dbraw/zinc/59/90/46/398599046.db2.gz DTUVQEZETRROIB-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126325 398599051 /nfs/dbraw/zinc/59/90/51/398599051.db2.gz DTUVQEZETRROIB-OALUTQOASA-N 2 1 304.478 2.990 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]1SC ZINC000597257793 398609222 /nfs/dbraw/zinc/60/92/22/398609222.db2.gz WIEGFJVCRHDQRD-TWMKSMIVSA-N 2 1 312.523 2.607 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000280006174 215306888 /nfs/dbraw/zinc/30/68/88/215306888.db2.gz TZOZXWUEQYNPFL-INIZCTEOSA-N 2 1 321.428 2.729 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cnc21 ZINC000152493612 186079111 /nfs/dbraw/zinc/07/91/11/186079111.db2.gz WOXQHKQQAXYUQS-HNNXBMFYSA-N 2 1 315.465 2.786 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cnc21 ZINC000152493612 186079112 /nfs/dbraw/zinc/07/91/12/186079112.db2.gz WOXQHKQQAXYUQS-HNNXBMFYSA-N 2 1 315.465 2.786 20 0 DFADMP CC(C)n1ncc2cc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cnc21 ZINC000152493612 186079114 /nfs/dbraw/zinc/07/91/14/186079114.db2.gz WOXQHKQQAXYUQS-HNNXBMFYSA-N 2 1 315.465 2.786 20 0 DFADMP CC(C)n1ncc2cc(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cnc21 ZINC000152493612 186079116 /nfs/dbraw/zinc/07/91/16/186079116.db2.gz WOXQHKQQAXYUQS-HNNXBMFYSA-N 2 1 315.465 2.786 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000093394989 398635388 /nfs/dbraw/zinc/63/53/88/398635388.db2.gz RYFGDTUHFMUVNI-PKOBYXMFSA-N 2 1 302.462 2.569 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000093536898 398640707 /nfs/dbraw/zinc/64/07/07/398640707.db2.gz YPWJFPAPUFYJMD-BHIYHBOVSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000093536898 398640708 /nfs/dbraw/zinc/64/07/08/398640708.db2.gz YPWJFPAPUFYJMD-BHIYHBOVSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000093536898 398640710 /nfs/dbraw/zinc/64/07/10/398640710.db2.gz YPWJFPAPUFYJMD-BHIYHBOVSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000093536898 398640712 /nfs/dbraw/zinc/64/07/12/398640712.db2.gz YPWJFPAPUFYJMD-BHIYHBOVSA-N 2 1 313.445 2.561 20 0 DFADMP C[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000191827696 186260211 /nfs/dbraw/zinc/26/02/11/186260211.db2.gz FBINXOMSGDFFQZ-QFBILLFUSA-N 2 1 302.462 2.708 20 0 DFADMP COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000590658722 398647674 /nfs/dbraw/zinc/64/76/74/398647674.db2.gz ZBKMCMTUPBLQCQ-MSOLQXFVSA-N 2 1 316.445 2.582 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1 ZINC000268749217 186377778 /nfs/dbraw/zinc/37/77/78/186377778.db2.gz UKEFUQIIQXCTII-AWEZNQCLSA-N 2 1 318.465 2.961 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)CC1 ZINC000590698963 398654191 /nfs/dbraw/zinc/65/41/91/398654191.db2.gz QXFYYICOAWXTDL-JKSUJKDBSA-N 2 1 315.452 2.522 20 0 DFADMP c1ccc(COc2ccccc2C[NH2+]C[C@H]2CCC[NH2+]C2)nc1 ZINC000414826389 295822583 /nfs/dbraw/zinc/82/25/83/295822583.db2.gz ISUINAFJWYDXRJ-INIZCTEOSA-N 2 1 311.429 2.750 20 0 DFADMP COCCOc1cccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459734893 299176796 /nfs/dbraw/zinc/17/67/96/299176796.db2.gz OTSODPQWMRDQTN-MRXNPFEDSA-N 2 1 306.450 2.533 20 0 DFADMP [NH3+]C[C@@H]([NH2+]C1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000414836738 295824159 /nfs/dbraw/zinc/82/41/59/295824159.db2.gz IZSBXMYHFJPAEM-QGZVFWFLSA-N 2 1 302.466 2.548 20 0 DFADMP CCOc1cccc(C[NH2+]C[C@@H](C)C[NH2+]C)c1OC(F)F ZINC000414842508 295824778 /nfs/dbraw/zinc/82/47/78/295824778.db2.gz PADWCZDMMBJKLJ-NSHDSACASA-N 2 1 302.365 2.632 20 0 DFADMP FC(F)(F)COc1ccccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414841870 295824844 /nfs/dbraw/zinc/82/48/44/295824844.db2.gz ZLSHKNKLSOYKNB-GFCCVEGCSA-N 2 1 302.340 2.717 20 0 DFADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2cccs2)n1 ZINC000459742388 299179056 /nfs/dbraw/zinc/17/90/56/299179056.db2.gz WBNJMDXJYLPFSG-CQSZACIVSA-N 2 1 318.490 2.970 20 0 DFADMP C[C@H](Cc1ccccc1)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000182040494 199378421 /nfs/dbraw/zinc/37/84/21/199378421.db2.gz YBAQUDDQADYUKZ-QGZVFWFLSA-N 2 1 304.478 2.644 20 0 DFADMP C[C@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]C1 ZINC000414904252 295832702 /nfs/dbraw/zinc/83/27/02/295832702.db2.gz NFPRBCZPJSEARQ-INIZCTEOSA-N 2 1 310.825 2.591 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414947886 295838841 /nfs/dbraw/zinc/83/88/41/295838841.db2.gz LIZUKDCKDHBFIF-MLGOLLRUSA-N 2 1 302.397 2.550 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH2+]1 ZINC000414953697 295840201 /nfs/dbraw/zinc/84/02/01/295840201.db2.gz RSWVWWSCKKFANO-YPMHNXCESA-N 2 1 310.825 2.731 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000414967902 295842248 /nfs/dbraw/zinc/84/22/48/295842248.db2.gz HZAARXMIANHUNR-QGZVFWFLSA-N 2 1 316.424 2.798 20 0 DFADMP CCCN(CCC)C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590787184 398675498 /nfs/dbraw/zinc/67/54/98/398675498.db2.gz UBTPJSPZMQKENM-UHFFFAOYSA-N 2 1 311.514 2.687 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1O ZINC000277165684 213340397 /nfs/dbraw/zinc/34/03/97/213340397.db2.gz GGPXCATVMPNRLD-GDBMZVCRSA-N 2 1 318.461 2.796 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1ccccc1Br ZINC000414996677 295845258 /nfs/dbraw/zinc/84/52/58/295845258.db2.gz GQLFKADPMOXDDG-NSHDSACASA-N 2 1 319.193 2.784 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(F)ccc1Br ZINC000401764207 398688389 /nfs/dbraw/zinc/68/83/89/398688389.db2.gz KHIDCZJCYOTXAZ-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP COC(=O)CCC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000125173521 282877566 /nfs/dbraw/zinc/87/75/66/282877566.db2.gz WLPCVJXCTLKLEV-UHFFFAOYSA-N 2 1 307.438 2.637 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCOC[C@@H]3CCCO3)CC[NH2+]2)cc1 ZINC000415088341 295856427 /nfs/dbraw/zinc/85/64/27/295856427.db2.gz LVDPPUQPVFQDEP-QYZOEREBSA-N 2 1 318.461 2.655 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1ccc(CO)o1 ZINC000174268190 198313045 /nfs/dbraw/zinc/31/30/45/198313045.db2.gz PWGRRTPYSXDQEV-UHFFFAOYSA-N 2 1 302.418 2.902 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415116216 295860378 /nfs/dbraw/zinc/86/03/78/295860378.db2.gz ZILMFFBNLILLKD-IRXDYDNUSA-N 2 1 304.434 2.801 20 0 DFADMP COC(=O)[C@H](C)[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000127450500 282944995 /nfs/dbraw/zinc/94/49/95/282944995.db2.gz OCGISOAHFRCTSX-PBHICJAKSA-N 2 1 315.417 2.722 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460199394 299211221 /nfs/dbraw/zinc/21/12/21/299211221.db2.gz CFYUHUKYIMXPHH-KRWDZBQOSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000277058531 213268651 /nfs/dbraw/zinc/26/86/51/213268651.db2.gz MZSXRPOLFLBHDP-HOTGVXAUSA-N 2 1 305.809 2.965 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277050562 213264501 /nfs/dbraw/zinc/26/45/01/213264501.db2.gz CJKRCCCROPCUKT-HNNXBMFYSA-N 2 1 300.450 2.532 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000594016471 398722156 /nfs/dbraw/zinc/72/21/56/398722156.db2.gz XWPANYCAZXJHJZ-UHFFFAOYSA-N 2 1 321.465 2.797 20 0 DFADMP Fc1ccccc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000681115422 545599175 /nfs/dbraw/zinc/59/91/75/545599175.db2.gz PZNMNOLNMMSFFN-QGZVFWFLSA-N 2 1 306.425 2.601 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000130564634 283052789 /nfs/dbraw/zinc/05/27/89/283052789.db2.gz BYNKVXXXVVOCRH-OAHLLOKOSA-N 2 1 314.433 2.849 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1cccc(C)c1 ZINC000130564634 283052794 /nfs/dbraw/zinc/05/27/94/283052794.db2.gz BYNKVXXXVVOCRH-OAHLLOKOSA-N 2 1 314.433 2.849 20 0 DFADMP O=C(C[NH+]1CCC(C[NH+]2CCCC2)CC1)NC1CCCCCC1 ZINC000047969014 398766001 /nfs/dbraw/zinc/76/60/01/398766001.db2.gz ZBHMWHRPDLZECW-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000081516829 192277012 /nfs/dbraw/zinc/27/70/12/192277012.db2.gz JHSNQOSYVBYUTK-INIZCTEOSA-N 2 1 305.466 2.871 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000081516829 192277014 /nfs/dbraw/zinc/27/70/14/192277014.db2.gz JHSNQOSYVBYUTK-INIZCTEOSA-N 2 1 305.466 2.871 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000591578248 398772825 /nfs/dbraw/zinc/77/28/25/398772825.db2.gz GKBXNJOEAPCZQH-UONOGXRCSA-N 2 1 320.433 2.874 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000359775987 283186171 /nfs/dbraw/zinc/18/61/71/283186171.db2.gz VBOGLYXWGBWENK-IRXDYDNUSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000359775987 283186172 /nfs/dbraw/zinc/18/61/72/283186172.db2.gz VBOGLYXWGBWENK-IRXDYDNUSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000359775987 283186173 /nfs/dbraw/zinc/18/61/73/283186173.db2.gz VBOGLYXWGBWENK-IRXDYDNUSA-N 2 1 319.493 2.744 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000236940815 202082853 /nfs/dbraw/zinc/08/28/53/202082853.db2.gz ZALVROPWCZQSRI-AEFFLSMTSA-N 2 1 319.493 2.910 20 0 DFADMP CC[C@]1(C(=O)NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000134616961 283194674 /nfs/dbraw/zinc/19/46/74/283194674.db2.gz RXIOOLNHHABFIQ-VQIMIIECSA-N 2 1 317.477 2.545 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1)C(C)C ZINC000236995650 202115269 /nfs/dbraw/zinc/11/52/69/202115269.db2.gz HFLYVUTXJRGEJN-LJQANCHMSA-N 2 1 317.477 2.774 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@H]2[C@H]1c1ccccc1 ZINC000365876831 283212831 /nfs/dbraw/zinc/21/28/31/283212831.db2.gz LKNVPDQHRWQLOH-DZOHQFGASA-N 2 1 302.487 2.974 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@H]2[C@H]1c1ccccc1 ZINC000365876831 283212832 /nfs/dbraw/zinc/21/28/32/283212832.db2.gz LKNVPDQHRWQLOH-DZOHQFGASA-N 2 1 302.487 2.974 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](C[C@@H]3CCSC3)C[C@H]2[C@H]1c1ccccc1 ZINC000365876831 283212833 /nfs/dbraw/zinc/21/28/33/283212833.db2.gz LKNVPDQHRWQLOH-DZOHQFGASA-N 2 1 302.487 2.974 20 0 DFADMP COCC(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000276911996 213170242 /nfs/dbraw/zinc/17/02/42/213170242.db2.gz JHRWIDOHYIPDJY-UHFFFAOYSA-N 2 1 304.478 2.956 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000237266652 202211496 /nfs/dbraw/zinc/21/14/96/202211496.db2.gz FPURSQHWYVDJOK-CQSZACIVSA-N 2 1 314.433 2.849 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000136401710 283239539 /nfs/dbraw/zinc/23/95/39/283239539.db2.gz FRWPXMLKDUGYDI-HNNXBMFYSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CNC(=O)OC(C)(C)C ZINC000136401710 283239540 /nfs/dbraw/zinc/23/95/40/283239540.db2.gz FRWPXMLKDUGYDI-HNNXBMFYSA-N 2 1 322.453 2.571 20 0 DFADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115384 283276553 /nfs/dbraw/zinc/27/65/53/283276553.db2.gz REIONPZZMFZYTG-HZPDHXFCSA-N 2 1 319.449 2.856 20 0 DFADMP CSCCCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594500411 398811043 /nfs/dbraw/zinc/81/10/43/398811043.db2.gz LYZIURBUNUWFMK-MRXNPFEDSA-N 2 1 300.512 2.753 20 0 DFADMP CS[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594506852 398811922 /nfs/dbraw/zinc/81/19/22/398811922.db2.gz FTRSNJDEOAYWAK-GVDBMIGSSA-N 2 1 312.523 2.894 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3[nH]ccc32)CC1 ZINC000179517957 199049970 /nfs/dbraw/zinc/04/99/70/199049970.db2.gz RLSSHSGFNIFNPV-OAHLLOKOSA-N 2 1 315.461 2.693 20 0 DFADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000075743630 398820979 /nfs/dbraw/zinc/82/09/79/398820979.db2.gz WFBUZBICZJPOTL-IAGOWNOFSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000075743630 398820981 /nfs/dbraw/zinc/82/09/81/398820981.db2.gz WFBUZBICZJPOTL-IAGOWNOFSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000075743630 398820983 /nfs/dbraw/zinc/82/09/83/398820983.db2.gz WFBUZBICZJPOTL-IAGOWNOFSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000075743630 398820985 /nfs/dbraw/zinc/82/09/85/398820985.db2.gz WFBUZBICZJPOTL-IAGOWNOFSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+](CCOCCOc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860520 398825481 /nfs/dbraw/zinc/82/54/81/398825481.db2.gz DVXBURRLMFJWNV-SFHVURJKSA-N 2 1 320.477 2.888 20 0 DFADMP C[N@@H+](CCOCCOc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860520 398825484 /nfs/dbraw/zinc/82/54/84/398825484.db2.gz DVXBURRLMFJWNV-SFHVURJKSA-N 2 1 320.477 2.888 20 0 DFADMP C[NH+](CCOCCOc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860520 398825486 /nfs/dbraw/zinc/82/54/86/398825486.db2.gz DVXBURRLMFJWNV-SFHVURJKSA-N 2 1 320.477 2.888 20 0 DFADMP C[NH+](CCOCCOc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860520 398825488 /nfs/dbraw/zinc/82/54/88/398825488.db2.gz DVXBURRLMFJWNV-SFHVURJKSA-N 2 1 320.477 2.888 20 0 DFADMP C[C@](O)(C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(Cl)c1 ZINC000184960844 199787399 /nfs/dbraw/zinc/78/73/99/199787399.db2.gz QFJHSJXPKDBEMB-BBWFWOEESA-N 2 1 308.853 2.764 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000129066921 398833742 /nfs/dbraw/zinc/83/37/42/398833742.db2.gz WZJLVGJYYINRRX-NEPJUHHUSA-N 2 1 306.435 2.542 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3ccccc3C)C2)CC1 ZINC000467418404 299272456 /nfs/dbraw/zinc/27/24/56/299272456.db2.gz JQXOHRSXROHHRC-SAABIXHNSA-N 2 1 302.462 2.941 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180147726 199123519 /nfs/dbraw/zinc/12/35/19/199123519.db2.gz OCDGRTRNVXDJQR-BMSWRWNDSA-N 2 1 300.446 2.685 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180672 199127801 /nfs/dbraw/zinc/12/78/01/199127801.db2.gz SAEUNOXVGQXAMS-HAGHYFMRSA-N 2 1 314.473 2.912 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)oc1C ZINC000594734591 398851393 /nfs/dbraw/zinc/85/13/93/398851393.db2.gz BZOGQEPESOMPLM-OAHLLOKOSA-N 2 1 320.433 2.586 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000152951643 283346142 /nfs/dbraw/zinc/34/61/42/283346142.db2.gz GHSNASDCFISWEH-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000152951643 283346146 /nfs/dbraw/zinc/34/61/46/283346146.db2.gz GHSNASDCFISWEH-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000152951643 283346150 /nfs/dbraw/zinc/34/61/50/283346150.db2.gz GHSNASDCFISWEH-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152951643 283346153 /nfs/dbraw/zinc/34/61/53/283346153.db2.gz GHSNASDCFISWEH-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000152951643 283346158 /nfs/dbraw/zinc/34/61/58/283346158.db2.gz GHSNASDCFISWEH-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000180406354 199155056 /nfs/dbraw/zinc/15/50/56/199155056.db2.gz ZMDABNAEOYVIJL-LHSJRXKWSA-N 2 1 308.491 2.947 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H](C)C2 ZINC000180468026 199162728 /nfs/dbraw/zinc/16/27/28/199162728.db2.gz DXVBDXTYJKCFDY-FXAWDEMLSA-N 2 1 315.505 2.846 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000594938441 398876864 /nfs/dbraw/zinc/87/68/64/398876864.db2.gz WDMFDGKIKWASSB-XLNGHYISSA-N 2 1 308.466 2.571 20 0 DFADMP FC(F)(F)COCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000054317320 398896034 /nfs/dbraw/zinc/89/60/34/398896034.db2.gz QYZIWEPHBOVFGT-UHFFFAOYSA-N 2 1 308.388 2.906 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000598955245 398896841 /nfs/dbraw/zinc/89/68/41/398896841.db2.gz KJTZJNIXSVDASU-CABCVRRESA-N 2 1 319.449 2.525 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000598955245 398896842 /nfs/dbraw/zinc/89/68/42/398896842.db2.gz KJTZJNIXSVDASU-CABCVRRESA-N 2 1 319.449 2.525 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC000077313716 398897631 /nfs/dbraw/zinc/89/76/31/398897631.db2.gz CHNDGZBKZVCWRP-SJLPKXTDSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC000077313716 398897633 /nfs/dbraw/zinc/89/76/33/398897633.db2.gz CHNDGZBKZVCWRP-SJLPKXTDSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000077313716 398897635 /nfs/dbraw/zinc/89/76/35/398897635.db2.gz CHNDGZBKZVCWRP-SJLPKXTDSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000077313716 398897637 /nfs/dbraw/zinc/89/76/37/398897637.db2.gz CHNDGZBKZVCWRP-SJLPKXTDSA-N 2 1 304.482 2.549 20 0 DFADMP COC(=O)CC1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000599025882 398909605 /nfs/dbraw/zinc/90/96/05/398909605.db2.gz SMAYKLMLJLIHRU-XNIRIUNOSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)CC1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000599025882 398909607 /nfs/dbraw/zinc/90/96/07/398909607.db2.gz SMAYKLMLJLIHRU-XNIRIUNOSA-N 2 1 310.482 2.818 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)Cc2ccccc2F)CC1 ZINC000187766464 200153963 /nfs/dbraw/zinc/15/39/63/200153963.db2.gz QLPXVEYJBYTSER-KRWDZBQOSA-N 2 1 321.484 2.764 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+]1CCc2ccccc2C1 ZINC000237516732 202268610 /nfs/dbraw/zinc/26/86/10/202268610.db2.gz LWXDXKQJGPSYFA-AWEZNQCLSA-N 2 1 309.413 2.531 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCc2ccccc2C1 ZINC000237516732 202268614 /nfs/dbraw/zinc/26/86/14/202268614.db2.gz LWXDXKQJGPSYFA-AWEZNQCLSA-N 2 1 309.413 2.531 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237535983 202274908 /nfs/dbraw/zinc/27/49/08/202274908.db2.gz QBZKOFXVRADQBS-SJLPKXTDSA-N 2 1 317.477 2.705 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@@H]2CC(C)C)CC1 ZINC000077657422 398916670 /nfs/dbraw/zinc/91/66/70/398916670.db2.gz OBDRRGUEISKDBL-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)C2)CC1 ZINC000595336968 398923193 /nfs/dbraw/zinc/92/31/93/398923193.db2.gz IPLPSTNJSMPKRE-AKHDSKFASA-N 2 1 305.510 2.523 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000188712663 200291986 /nfs/dbraw/zinc/29/19/86/200291986.db2.gz VBPPKCWAMMEQIR-UKPHBRMFSA-N 2 1 319.424 2.700 20 0 DFADMP CCc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000188958311 200327112 /nfs/dbraw/zinc/32/71/12/200327112.db2.gz XXDRPWLFTFDXCY-MRXNPFEDSA-N 2 1 304.478 2.774 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CC[C@H](Cc3ccccc3)C2)CC1 ZINC000189077670 200345070 /nfs/dbraw/zinc/34/50/70/200345070.db2.gz QJRWJJXKZLTOME-MOPGFXCFSA-N 2 1 316.489 2.834 20 0 DFADMP CC(C)OC1CC([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000189512515 200414636 /nfs/dbraw/zinc/41/46/36/200414636.db2.gz LSBAUJNZFMJMIA-UHFFFAOYSA-N 2 1 318.461 2.564 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@](C)(O)C2)CC1 ZINC000417394321 296016218 /nfs/dbraw/zinc/01/62/18/296016218.db2.gz DFUWUAZBJYZDRH-GLJAMUPPSA-N 2 1 302.462 2.933 20 0 DFADMP COC(=O)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000599283771 398948265 /nfs/dbraw/zinc/94/82/65/398948265.db2.gz CYSHQDUQHYZBEX-KRWDZBQOSA-N 2 1 310.482 2.918 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1nc(C2CC2)no1)C(C)C ZINC000271983758 209359254 /nfs/dbraw/zinc/35/92/54/209359254.db2.gz FBMRDJBNYNNJIO-CQSZACIVSA-N 2 1 303.410 2.829 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2CC)cc1 ZINC000078670199 398978947 /nfs/dbraw/zinc/97/89/47/398978947.db2.gz ORTXJSSXCFUMMU-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP C=Cn1cc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)cn1 ZINC000194028450 201165565 /nfs/dbraw/zinc/16/55/65/201165565.db2.gz PUPPLWSSIIWQCK-UHFFFAOYSA-N 2 1 320.481 2.554 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000600167114 398982818 /nfs/dbraw/zinc/98/28/18/398982818.db2.gz OOBXZZORVPTRRH-WBMJQRKESA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000600167114 398982823 /nfs/dbraw/zinc/98/28/23/398982823.db2.gz OOBXZZORVPTRRH-WBMJQRKESA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000600167114 398982825 /nfs/dbraw/zinc/98/28/25/398982825.db2.gz OOBXZZORVPTRRH-WBMJQRKESA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000600167114 398982829 /nfs/dbraw/zinc/98/28/29/398982829.db2.gz OOBXZZORVPTRRH-WBMJQRKESA-N 2 1 321.465 2.580 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000194541680 201245741 /nfs/dbraw/zinc/24/57/41/201245741.db2.gz ALBAYXDLQJOOTJ-CWRNSKLLSA-N 2 1 306.425 2.506 20 0 DFADMP COc1ccc(C[C@H](C)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1F ZINC000194541680 201245745 /nfs/dbraw/zinc/24/57/45/201245745.db2.gz ALBAYXDLQJOOTJ-CWRNSKLLSA-N 2 1 306.425 2.506 20 0 DFADMP COc1ccc(C[C@H](C)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1F ZINC000194541680 201245748 /nfs/dbraw/zinc/24/57/48/201245748.db2.gz ALBAYXDLQJOOTJ-CWRNSKLLSA-N 2 1 306.425 2.506 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([S@@](=O)CC)C2)CC1 ZINC000162799398 398984905 /nfs/dbraw/zinc/98/49/05/398984905.db2.gz PUWPCLGHCFTVIW-GQIGUUNPSA-N 2 1 300.512 2.530 20 0 DFADMP CC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000605026221 398994681 /nfs/dbraw/zinc/99/46/81/398994681.db2.gz HWLCTAWBEJPRGE-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000605026221 398994686 /nfs/dbraw/zinc/99/46/86/398994686.db2.gz HWLCTAWBEJPRGE-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000605026221 398994689 /nfs/dbraw/zinc/99/46/89/398994689.db2.gz HWLCTAWBEJPRGE-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000605026221 398994697 /nfs/dbraw/zinc/99/46/97/398994697.db2.gz HWLCTAWBEJPRGE-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[C@@H]2CCC[NH2+]C2)c1 ZINC000621642828 399007659 /nfs/dbraw/zinc/00/76/59/399007659.db2.gz WVNNNXAVASCMCU-INIZCTEOSA-N 2 1 317.477 2.534 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271829861 209249468 /nfs/dbraw/zinc/24/94/68/209249468.db2.gz DTRKFBLKQFZELN-CQSZACIVSA-N 2 1 304.434 2.925 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)c2O1 ZINC000275532456 212397927 /nfs/dbraw/zinc/39/79/27/212397927.db2.gz LZYZBLZLWXUTAA-CQSZACIVSA-N 2 1 311.429 2.949 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cnn(Cc2ccccc2)c1 ZINC000271811118 209235358 /nfs/dbraw/zinc/23/53/58/209235358.db2.gz AURPKFKTPVHZAA-MRXNPFEDSA-N 2 1 310.445 2.844 20 0 DFADMP CC[N@H+](Cc1cc(C)nn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000418075574 296076828 /nfs/dbraw/zinc/07/68/28/296076828.db2.gz ZMGXLQNIALERBH-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP CC[N@@H+](Cc1cc(C)nn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000418075574 296076830 /nfs/dbraw/zinc/07/68/30/296076830.db2.gz ZMGXLQNIALERBH-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP CC(C)(CCC[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418129911 296080172 /nfs/dbraw/zinc/08/01/72/296080172.db2.gz FDMBOVLBUGRQLA-MRXNPFEDSA-N 2 1 324.513 2.600 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)c(C)n2n1 ZINC000091733583 193098959 /nfs/dbraw/zinc/09/89/59/193098959.db2.gz PWXUKXOOAGUMFJ-BMFZPTHFSA-N 2 1 315.465 2.870 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000092043168 193146394 /nfs/dbraw/zinc/14/63/94/193146394.db2.gz ATOXQKVUDXBLKQ-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000092043168 193146395 /nfs/dbraw/zinc/14/63/95/193146395.db2.gz ATOXQKVUDXBLKQ-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000092043168 193146396 /nfs/dbraw/zinc/14/63/96/193146396.db2.gz ATOXQKVUDXBLKQ-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccc(Cl)cc1 ZINC000613659226 399051463 /nfs/dbraw/zinc/05/14/63/399051463.db2.gz ABFNAPPEJZEIGP-OAGGEKHMSA-N 2 1 323.868 2.542 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H](C)c3cnccn3)C1)CCCC2 ZINC000275308977 212263567 /nfs/dbraw/zinc/26/35/67/212263567.db2.gz NRSFOHBFNOMFQC-ZFWWWQNUSA-N 2 1 311.433 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H](C)c3cnccn3)C1)CCCC2 ZINC000275308977 212263570 /nfs/dbraw/zinc/26/35/70/212263570.db2.gz NRSFOHBFNOMFQC-ZFWWWQNUSA-N 2 1 311.433 2.868 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621750263 399066033 /nfs/dbraw/zinc/06/60/33/399066033.db2.gz MBTMEVRKWSOGOU-SJLPKXTDSA-N 2 1 315.461 2.806 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCc3ccccn3)C1)CCCC2 ZINC000275268748 212236245 /nfs/dbraw/zinc/23/62/45/212236245.db2.gz IXDFQZFUVTUAEU-QGZVFWFLSA-N 2 1 310.445 2.955 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCc3ccccn3)C1)CCCC2 ZINC000275268748 212236249 /nfs/dbraw/zinc/23/62/49/212236249.db2.gz IXDFQZFUVTUAEU-QGZVFWFLSA-N 2 1 310.445 2.955 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCCC1)c1ccccc1 ZINC000057833255 399066553 /nfs/dbraw/zinc/06/65/53/399066553.db2.gz CVHHKCRMBNPBHN-QGZVFWFLSA-N 2 1 317.477 2.670 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccccc21 ZINC000621762708 399070238 /nfs/dbraw/zinc/07/02/38/399070238.db2.gz JGRYDYXGAWFWIE-GOSISDBHSA-N 2 1 315.461 2.948 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000479588920 299380755 /nfs/dbraw/zinc/38/07/55/299380755.db2.gz JYHRBUHXXUOYIM-IYBDPMFKSA-N 2 1 321.509 2.630 20 0 DFADMP CCOc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253911 193180231 /nfs/dbraw/zinc/18/02/31/193180231.db2.gz WORVKWPWFOGUNC-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1OC ZINC000092253911 193180233 /nfs/dbraw/zinc/18/02/33/193180233.db2.gz WORVKWPWFOGUNC-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1OC ZINC000092253911 193180235 /nfs/dbraw/zinc/18/02/35/193180235.db2.gz WORVKWPWFOGUNC-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000092253911 193180237 /nfs/dbraw/zinc/18/02/37/193180237.db2.gz WORVKWPWFOGUNC-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000418996562 296123458 /nfs/dbraw/zinc/12/34/58/296123458.db2.gz FKXLPHRVEVFNDA-QWHCGFSZSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000418996562 296123459 /nfs/dbraw/zinc/12/34/59/296123459.db2.gz FKXLPHRVEVFNDA-QWHCGFSZSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338272663 284097180 /nfs/dbraw/zinc/09/71/80/284097180.db2.gz CQCIXLANFYUDBO-HOCLYGCPSA-N 2 1 318.452 2.837 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+] ZINC000261645797 203087820 /nfs/dbraw/zinc/08/78/20/203087820.db2.gz DCEUJDZYRDWUEZ-CRAIPNDOSA-N 2 1 317.477 2.518 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)s1 ZINC000093088587 193202554 /nfs/dbraw/zinc/20/25/54/193202554.db2.gz WPNQEMZMENLBRZ-UHFFFAOYSA-N 2 1 310.511 2.763 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262101428 203200498 /nfs/dbraw/zinc/20/04/98/203200498.db2.gz DDLUMGJIEHVIOV-NXHRZFHOSA-N 2 1 317.477 2.529 20 0 DFADMP C[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000262672915 203375602 /nfs/dbraw/zinc/37/56/02/203375602.db2.gz PHZASWRAAFILFU-CBZIJGRNSA-N 2 1 317.477 2.559 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000093639604 193279494 /nfs/dbraw/zinc/27/94/94/193279494.db2.gz SBLSNKRZWMVNRD-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000093639604 193279497 /nfs/dbraw/zinc/27/94/97/193279497.db2.gz SBLSNKRZWMVNRD-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000093639604 193279498 /nfs/dbraw/zinc/27/94/98/193279498.db2.gz SBLSNKRZWMVNRD-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP CCn1nc(C)c(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000093563825 193267911 /nfs/dbraw/zinc/26/79/11/193267911.db2.gz HBUNERSWQNTLNK-KRWDZBQOSA-N 2 1 304.482 2.970 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1C ZINC000093563825 193267914 /nfs/dbraw/zinc/26/79/14/193267914.db2.gz HBUNERSWQNTLNK-KRWDZBQOSA-N 2 1 304.482 2.970 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597799 193272652 /nfs/dbraw/zinc/27/26/52/193272652.db2.gz LAJPPVLFXSSVLI-MRXNPFEDSA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597799 193272654 /nfs/dbraw/zinc/27/26/54/193272654.db2.gz LAJPPVLFXSSVLI-MRXNPFEDSA-N 2 1 318.461 2.930 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCCOC)cc2)C1 ZINC000093753007 193300391 /nfs/dbraw/zinc/30/03/91/193300391.db2.gz PVGIKGAXIQAVPB-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OCCOC)cc2)C1 ZINC000093753007 193300392 /nfs/dbraw/zinc/30/03/92/193300392.db2.gz PVGIKGAXIQAVPB-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000093753007 193300395 /nfs/dbraw/zinc/30/03/95/193300395.db2.gz PVGIKGAXIQAVPB-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000093753007 193300397 /nfs/dbraw/zinc/30/03/97/193300397.db2.gz PVGIKGAXIQAVPB-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644561 193281894 /nfs/dbraw/zinc/28/18/94/193281894.db2.gz IGYRGTNRUONHCT-GDBMZVCRSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644561 193281895 /nfs/dbraw/zinc/28/18/95/193281895.db2.gz IGYRGTNRUONHCT-GDBMZVCRSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644561 193281897 /nfs/dbraw/zinc/28/18/97/193281897.db2.gz IGYRGTNRUONHCT-GDBMZVCRSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644561 193281899 /nfs/dbraw/zinc/28/18/99/193281899.db2.gz IGYRGTNRUONHCT-GDBMZVCRSA-N 2 1 306.450 2.927 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccn3C)CC2)C[C@H](C)O1 ZINC000093844460 193317551 /nfs/dbraw/zinc/31/75/51/193317551.db2.gz UXBLKRRZCKNXCH-CALCHBBNSA-N 2 1 319.493 2.736 20 0 DFADMP COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900446 399128112 /nfs/dbraw/zinc/12/81/12/399128112.db2.gz GJWFVZLKQXMSKT-GOEBONIOSA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900446 399128116 /nfs/dbraw/zinc/12/81/16/399128116.db2.gz GJWFVZLKQXMSKT-GOEBONIOSA-N 2 1 322.474 2.674 20 0 DFADMP COC1CC[NH+](CCNc2cc[nH+]c3cc(F)ccc23)CC1 ZINC000080250363 399131587 /nfs/dbraw/zinc/13/15/87/399131587.db2.gz NXHVCPCCNLNYJE-UHFFFAOYSA-N 2 1 303.381 2.897 20 0 DFADMP C[NH2+][C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000420173508 296160422 /nfs/dbraw/zinc/16/04/22/296160422.db2.gz VKDUHLKBTDYNGL-LLVKDONJSA-N 2 1 306.207 2.795 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000282443875 217000047 /nfs/dbraw/zinc/00/00/47/217000047.db2.gz SBNKORSFLRBVTM-RTBURBONSA-N 2 1 315.505 2.938 20 0 DFADMP Cc1cc([C@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nn1C ZINC000282453127 217007369 /nfs/dbraw/zinc/00/73/69/217007369.db2.gz ZYDAKEHSPMUKPS-HNNXBMFYSA-N 2 1 316.449 2.520 20 0 DFADMP CC(C)c1cc(N2CCC([C@@H]3CCC[NH2+]3)CC2)nc(N(C)C)[nH+]1 ZINC000420223242 296163475 /nfs/dbraw/zinc/16/34/75/296163475.db2.gz ZVHPPNKEKQNICC-HNNXBMFYSA-N 2 1 317.481 2.634 20 0 DFADMP C[C@@H]1[C@@H]([NH3+])CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000420247213 296165449 /nfs/dbraw/zinc/16/54/49/296165449.db2.gz GRPQUTXYJYGVOS-SKDRFNHKSA-N 2 1 306.207 2.923 20 0 DFADMP OC[C@H]1C=C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000341247245 284259403 /nfs/dbraw/zinc/25/94/03/284259403.db2.gz OXLFWRLEGYHBGL-XIBWBMNSSA-N 2 1 312.457 2.709 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000264824715 204184802 /nfs/dbraw/zinc/18/48/02/204184802.db2.gz YGLCLCMZYZNTLY-QGZVFWFLSA-N 2 1 324.472 2.841 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1)C(C)C ZINC000264885409 204238643 /nfs/dbraw/zinc/23/86/43/204238643.db2.gz ITYBMZCJSOIXGF-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP CC[C@@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420297149 296170787 /nfs/dbraw/zinc/17/07/87/296170787.db2.gz FOSMVSBBYXMNCG-OALUTQOASA-N 2 1 301.478 2.550 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420296156 296170952 /nfs/dbraw/zinc/17/09/52/296170952.db2.gz PZTBCYKHNOZJMG-CYBMUJFWSA-N 2 1 316.836 2.886 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420296156 296170953 /nfs/dbraw/zinc/17/09/53/296170953.db2.gz PZTBCYKHNOZJMG-CYBMUJFWSA-N 2 1 316.836 2.886 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C[C@H](C)O)C2CCCCC2)cc1 ZINC000420300736 296171594 /nfs/dbraw/zinc/17/15/94/296171594.db2.gz KKXVACQTOCZCCO-RDJZCZTQSA-N 2 1 320.477 2.753 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C[C@@H](C)O)C2CCCCC2)cc1 ZINC000420300734 296171839 /nfs/dbraw/zinc/17/18/39/296171839.db2.gz KKXVACQTOCZCCO-NVXWUHKLSA-N 2 1 320.477 2.753 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@H]1CC[NH2+]C1 ZINC000420304124 296172040 /nfs/dbraw/zinc/17/20/40/296172040.db2.gz KXRZBWBVQCBAEU-MRXNPFEDSA-N 2 1 312.461 2.941 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420306657 296172430 /nfs/dbraw/zinc/17/24/30/296172430.db2.gz QUJCVHRCIQIOBC-FUHWJXTLSA-N 2 1 315.461 2.504 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000341696532 284276530 /nfs/dbraw/zinc/27/65/30/284276530.db2.gz RSDOOSKGOBXPNK-RHSMWYFYSA-N 2 1 303.450 2.665 20 0 DFADMP COC(=O)CCC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420306948 296172565 /nfs/dbraw/zinc/17/25/65/296172565.db2.gz IAMBPGGZAJRMPD-HNNXBMFYSA-N 2 1 322.474 2.645 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)c1 ZINC000341696531 284276597 /nfs/dbraw/zinc/27/65/97/284276597.db2.gz RSDOOSKGOBXPNK-PBHICJAKSA-N 2 1 303.450 2.665 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000420306909 296172631 /nfs/dbraw/zinc/17/26/31/296172631.db2.gz LJASQPFDBVWUQC-MWDXBVQZSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000420306909 296172633 /nfs/dbraw/zinc/17/26/33/296172633.db2.gz LJASQPFDBVWUQC-MWDXBVQZSA-N 2 1 315.461 2.690 20 0 DFADMP c1cc2c(c([C@@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)c1)OCCO2 ZINC000420305932 296172662 /nfs/dbraw/zinc/17/26/62/296172662.db2.gz QDSFFDLCLOSFSW-HOCLYGCPSA-N 2 1 302.418 2.594 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420305390 296172670 /nfs/dbraw/zinc/17/26/70/296172670.db2.gz KBSPAJOZWQJTPG-NUEKZKHPSA-N 2 1 311.429 2.718 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000420305390 296172671 /nfs/dbraw/zinc/17/26/71/296172671.db2.gz KBSPAJOZWQJTPG-NUEKZKHPSA-N 2 1 311.429 2.718 20 0 DFADMP Cn1ccnc1C[N@@H+](CCCCCF)[C@H]1CC12CC[NH2+]CC2 ZINC000420305607 296172724 /nfs/dbraw/zinc/17/27/24/296172724.db2.gz GSLGQVXIUZSFCK-HNNXBMFYSA-N 2 1 308.445 2.504 20 0 DFADMP Clc1cnc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000420310795 296173439 /nfs/dbraw/zinc/17/34/39/296173439.db2.gz QDCZQHDLIDQJOX-UHFFFAOYSA-N 2 1 300.233 2.964 20 0 DFADMP Clc1cnc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000420310795 296173441 /nfs/dbraw/zinc/17/34/41/296173441.db2.gz QDCZQHDLIDQJOX-UHFFFAOYSA-N 2 1 300.233 2.964 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2C)CC1 ZINC000420313544 296173813 /nfs/dbraw/zinc/17/38/13/296173813.db2.gz UKMNOJQKEXAVRR-QGZVFWFLSA-N 2 1 304.434 2.531 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420318845 296174477 /nfs/dbraw/zinc/17/44/77/296174477.db2.gz ORXXQSHYOMNUPG-HBFSDRIKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420318845 296174479 /nfs/dbraw/zinc/17/44/79/296174479.db2.gz ORXXQSHYOMNUPG-HBFSDRIKSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420318845 296174480 /nfs/dbraw/zinc/17/44/80/296174480.db2.gz ORXXQSHYOMNUPG-HBFSDRIKSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420318845 296174481 /nfs/dbraw/zinc/17/44/81/296174481.db2.gz ORXXQSHYOMNUPG-HBFSDRIKSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420318845 296174483 /nfs/dbraw/zinc/17/44/83/296174483.db2.gz ORXXQSHYOMNUPG-HBFSDRIKSA-N 3 1 315.505 2.971 20 0 DFADMP COc1ccc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cc1OC(F)F ZINC000420318259 296174539 /nfs/dbraw/zinc/17/45/39/296174539.db2.gz OFVPCTUJOBNVBU-LBPRGKRZSA-N 2 1 314.376 2.728 20 0 DFADMP COc1ccc([C@H]2CCCCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420315921 296174134 /nfs/dbraw/zinc/17/41/34/296174134.db2.gz LWSJOIJATHZXJG-LJQANCHMSA-N 2 1 317.477 2.518 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](CC[C@H]2CC[NH2+]C2)C2CC2)c1 ZINC000420324562 296175161 /nfs/dbraw/zinc/17/51/61/296175161.db2.gz VQIFGPPXMJJMHB-CQSZACIVSA-N 2 1 304.434 2.668 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323653 296175227 /nfs/dbraw/zinc/17/52/27/296175227.db2.gz GPLJAPFUVCABAR-DOTOQJQBSA-N 2 1 306.425 2.964 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325476 296175504 /nfs/dbraw/zinc/17/55/04/296175504.db2.gz WQAGGSSLNFOEDK-QRVBRYPASA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325476 296175505 /nfs/dbraw/zinc/17/55/05/296175505.db2.gz WQAGGSSLNFOEDK-QRVBRYPASA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325476 296175506 /nfs/dbraw/zinc/17/55/06/296175506.db2.gz WQAGGSSLNFOEDK-QRVBRYPASA-N 3 1 307.526 2.963 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000420328149 296176186 /nfs/dbraw/zinc/17/61/86/296176186.db2.gz ZMBYMGUYSFRAEZ-ZDUSSCGKSA-N 2 1 305.447 2.719 20 0 DFADMP c1ccc([C@@H]2C[N@H+](CCN3CC[NH2+]CC3)Cc3ccccc32)cc1 ZINC000420325900 296175769 /nfs/dbraw/zinc/17/57/69/296175769.db2.gz WXGNFWYAEPPUBR-NRFANRHFSA-N 2 1 321.468 2.539 20 0 DFADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000420325743 296175855 /nfs/dbraw/zinc/17/58/55/296175855.db2.gz BTGDUYBLLRTDIG-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000420325743 296175856 /nfs/dbraw/zinc/17/58/56/296175856.db2.gz BTGDUYBLLRTDIG-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP c1cnc2sc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337759 296177032 /nfs/dbraw/zinc/17/70/32/296177032.db2.gz XAGJPXULADCIMI-QWHCGFSZSA-N 2 1 302.447 2.513 20 0 DFADMP Cc1nc(C(F)(F)F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000420343178 296177891 /nfs/dbraw/zinc/17/78/91/296177891.db2.gz RIGTYDFZPXUMQD-PHIMTYICSA-N 2 1 319.396 2.902 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420345391 296178069 /nfs/dbraw/zinc/17/80/69/296178069.db2.gz WCFIHRKKEYPJPS-IRXDYDNUSA-N 2 1 315.461 2.563 20 0 DFADMP COCCOCCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274878168 212003195 /nfs/dbraw/zinc/00/31/95/212003195.db2.gz HACBGEBBYPNHDE-MJGOQNOKSA-N 2 1 320.477 2.540 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000420358565 296179517 /nfs/dbraw/zinc/17/95/17/296179517.db2.gz JQSNOORPQXDTEJ-KRWDZBQOSA-N 2 1 314.404 2.935 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3cc(F)ccc3C2)cc1 ZINC000420358565 296179518 /nfs/dbraw/zinc/17/95/18/296179518.db2.gz JQSNOORPQXDTEJ-KRWDZBQOSA-N 2 1 314.404 2.935 20 0 DFADMP CCOC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000596094053 399171049 /nfs/dbraw/zinc/17/10/49/399171049.db2.gz IATSDBYPBVUEBX-WWDZGPRUSA-N 2 1 322.493 2.820 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cccnc2)cc1 ZINC000420364979 296180764 /nfs/dbraw/zinc/18/07/64/296180764.db2.gz RQMZKTJBNWKWKA-PKOBYXMFSA-N 2 1 311.429 2.970 20 0 DFADMP CC[C@H]1Cc2ccccc2C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365419 296180856 /nfs/dbraw/zinc/18/08/56/296180856.db2.gz SDEUDSYYKHQNJY-ACRUOGEOSA-N 2 1 324.468 2.754 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000420369651 296181603 /nfs/dbraw/zinc/18/16/03/296181603.db2.gz XYFMASSJEGOUBI-QGZVFWFLSA-N 2 1 314.404 2.935 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccc(F)cc3C2)cc1 ZINC000420369651 296181604 /nfs/dbraw/zinc/18/16/04/296181604.db2.gz XYFMASSJEGOUBI-QGZVFWFLSA-N 2 1 314.404 2.935 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000420368628 296181620 /nfs/dbraw/zinc/18/16/20/296181620.db2.gz NVAPDBNYPBAVSW-WQGACYEGSA-N 2 1 309.841 2.645 20 0 DFADMP CC[C@H](c1ccccc1)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420373630 296182320 /nfs/dbraw/zinc/18/23/20/296182320.db2.gz MRNPNOVKLUAINW-DOTOQJQBSA-N 2 1 304.434 2.612 20 0 DFADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000420376669 296182597 /nfs/dbraw/zinc/18/25/97/296182597.db2.gz KAWVPNANADTREG-INMHGKMJSA-N 2 1 305.470 2.590 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420377920 296183004 /nfs/dbraw/zinc/18/30/04/296183004.db2.gz SVYQAZSRICWKGP-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378047 296183298 /nfs/dbraw/zinc/18/32/98/296183298.db2.gz BAQHKPBZDWOJDZ-WMZOPIPTSA-N 2 1 316.445 2.732 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420378047 296183299 /nfs/dbraw/zinc/18/32/99/296183299.db2.gz BAQHKPBZDWOJDZ-WMZOPIPTSA-N 2 1 316.445 2.732 20 0 DFADMP Cn1c(C[NH2+]CC2=CC[N@@H+](C)CC2)nc2cc(Cl)ccc21 ZINC000271773331 209202028 /nfs/dbraw/zinc/20/20/28/209202028.db2.gz BZUAIGDSQURDCL-UHFFFAOYSA-N 2 1 304.825 2.578 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1SC ZINC000342107201 284325557 /nfs/dbraw/zinc/32/55/57/284325557.db2.gz PGZWAKGSZREJDK-SOUVJXGZSA-N 2 1 306.475 2.976 20 0 DFADMP FC1(F)CCC[C@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420387269 296184478 /nfs/dbraw/zinc/18/44/78/296184478.db2.gz JXLVUZYYIIHFSO-ZNMIVQPWSA-N 2 1 314.420 2.512 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420395610 296185708 /nfs/dbraw/zinc/18/57/08/296185708.db2.gz DODIFRURUGGBAR-UONOGXRCSA-N 2 1 321.490 2.654 20 0 DFADMP O=C(NCC12CCC[NH+]1CCC2)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000614225393 399180850 /nfs/dbraw/zinc/18/08/50/399180850.db2.gz OGAFITRTBPPCEF-KRWDZBQOSA-N 2 1 319.493 2.528 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420402489 296186567 /nfs/dbraw/zinc/18/65/67/296186567.db2.gz QOWUDCNBVBWRFM-FUHWJXTLSA-N 2 1 301.434 2.609 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420412586 296187501 /nfs/dbraw/zinc/18/75/01/296187501.db2.gz ZJORCTYQGCKZOO-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)ccc2o1 ZINC000420422752 296188260 /nfs/dbraw/zinc/18/82/60/296188260.db2.gz ZNMVRQCPMJDQPX-IUODEOHRSA-N 2 1 316.401 2.636 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C[NH3+] ZINC000420418614 296188274 /nfs/dbraw/zinc/18/82/74/296188274.db2.gz XBBIREQYWRESFE-GXTWGEPZSA-N 2 1 303.381 2.897 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C[NH3+] ZINC000420418614 296188275 /nfs/dbraw/zinc/18/82/75/296188275.db2.gz XBBIREQYWRESFE-GXTWGEPZSA-N 2 1 303.381 2.897 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000282765151 217234475 /nfs/dbraw/zinc/23/44/75/217234475.db2.gz ZWEAGBKJFCHGRJ-VBSBHUPXSA-N 2 1 324.472 2.772 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](O)c1c(F)cccc1F ZINC000271675429 209116837 /nfs/dbraw/zinc/11/68/37/209116837.db2.gz HFSORJNSCOLHAY-DOTOQJQBSA-N 2 1 312.404 2.851 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000601007332 399201124 /nfs/dbraw/zinc/20/11/24/399201124.db2.gz DUZUYBBSRDJJNQ-QZTJIDSGSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000601007332 399201127 /nfs/dbraw/zinc/20/11/27/399201127.db2.gz DUZUYBBSRDJJNQ-QZTJIDSGSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000601007332 399201130 /nfs/dbraw/zinc/20/11/30/399201130.db2.gz DUZUYBBSRDJJNQ-QZTJIDSGSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000601007332 399201133 /nfs/dbraw/zinc/20/11/33/399201133.db2.gz DUZUYBBSRDJJNQ-QZTJIDSGSA-N 2 1 321.509 2.632 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665518 399202879 /nfs/dbraw/zinc/20/28/79/399202879.db2.gz JXPYTFVKYVAFRK-CABCVRRESA-N 2 1 309.498 2.676 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000342601036 284377158 /nfs/dbraw/zinc/37/71/58/284377158.db2.gz UFGROBZLVCMQCW-MAUKXSAKSA-N 2 1 306.450 2.583 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000342601036 284377159 /nfs/dbraw/zinc/37/71/59/284377159.db2.gz UFGROBZLVCMQCW-MAUKXSAKSA-N 2 1 306.450 2.583 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000614336632 399212031 /nfs/dbraw/zinc/21/20/31/399212031.db2.gz ZZKGINJKDXZAGG-QGZVFWFLSA-N 2 1 311.514 2.831 20 0 DFADMP CCn1nccc1CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000282983283 217367715 /nfs/dbraw/zinc/36/77/15/217367715.db2.gz FTSRANIVHYRJNR-KDURUIRLSA-N 2 1 324.472 2.509 20 0 DFADMP CCn1nccc1CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000282983283 217367719 /nfs/dbraw/zinc/36/77/19/217367719.db2.gz FTSRANIVHYRJNR-KDURUIRLSA-N 2 1 324.472 2.509 20 0 DFADMP CCn1nccc1CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000282983283 217367722 /nfs/dbraw/zinc/36/77/22/217367722.db2.gz FTSRANIVHYRJNR-KDURUIRLSA-N 2 1 324.472 2.509 20 0 DFADMP CC(C)CCc1noc(C[NH+]2CCC(CC[NH+](C)C)CC2)n1 ZINC000064515273 399226557 /nfs/dbraw/zinc/22/65/57/399226557.db2.gz YCKBEPQMNREEKB-UHFFFAOYSA-N 2 1 308.470 2.822 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000271665472 209107491 /nfs/dbraw/zinc/10/74/91/209107491.db2.gz MCRIRAHDRMZSDE-GDBMZVCRSA-N 2 1 324.490 2.615 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000271665472 209107493 /nfs/dbraw/zinc/10/74/93/209107493.db2.gz MCRIRAHDRMZSDE-GDBMZVCRSA-N 2 1 324.490 2.615 20 0 DFADMP COCc1cnc(C[NH+]2CCC(CCC[NH+](C)C)CC2)s1 ZINC000342915097 284441251 /nfs/dbraw/zinc/44/12/51/284441251.db2.gz DKNIJHJYSKKCAE-UHFFFAOYSA-N 2 1 311.495 2.843 20 0 DFADMP CCCC[N@H+](CCOC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420916287 296211593 /nfs/dbraw/zinc/21/15/93/296211593.db2.gz ODXMDNSWBFPNNI-UHFFFAOYSA-N 2 1 320.477 2.767 20 0 DFADMP CCCC[N@@H+](CCOC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420916287 296211594 /nfs/dbraw/zinc/21/15/94/296211594.db2.gz ODXMDNSWBFPNNI-UHFFFAOYSA-N 2 1 320.477 2.767 20 0 DFADMP C[C@H]1CSCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420926109 296213063 /nfs/dbraw/zinc/21/30/63/296213063.db2.gz XJTNUMBNSOWBJD-MRXNPFEDSA-N 2 1 320.502 2.704 20 0 DFADMP C[C@H]1CSCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420926109 296213065 /nfs/dbraw/zinc/21/30/65/296213065.db2.gz XJTNUMBNSOWBJD-MRXNPFEDSA-N 2 1 320.502 2.704 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCCO1 ZINC000420939319 296215282 /nfs/dbraw/zinc/21/52/82/296215282.db2.gz MYGRPVLLEMJTDA-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000267457573 206082038 /nfs/dbraw/zinc/08/20/38/206082038.db2.gz PXDHCFLHKFZSDJ-DQYPLSBCSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000267457573 206082042 /nfs/dbraw/zinc/08/20/42/206082042.db2.gz PXDHCFLHKFZSDJ-DQYPLSBCSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000267457573 206082047 /nfs/dbraw/zinc/08/20/47/206082047.db2.gz PXDHCFLHKFZSDJ-DQYPLSBCSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000267457573 206082052 /nfs/dbraw/zinc/08/20/52/206082052.db2.gz PXDHCFLHKFZSDJ-DQYPLSBCSA-N 2 1 312.404 2.660 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000420970452 296219346 /nfs/dbraw/zinc/21/93/46/296219346.db2.gz IRKDOXBRFSQDIS-CEXWTWQISA-N 2 1 300.446 2.797 20 0 DFADMP C[C@@H]1[C@H](C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420980619 296220450 /nfs/dbraw/zinc/22/04/50/296220450.db2.gz WZJIXPDCVGTHIS-ZACQAIPSSA-N 2 1 302.462 2.995 20 0 DFADMP C[C@@H]1[C@H](C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H]1C ZINC000420980619 296220451 /nfs/dbraw/zinc/22/04/51/296220451.db2.gz WZJIXPDCVGTHIS-ZACQAIPSSA-N 2 1 302.462 2.995 20 0 DFADMP CC[C@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000622658084 399265694 /nfs/dbraw/zinc/26/56/94/399265694.db2.gz PJAXGBOJILYHGE-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1c(Cl)c(C[NH2+]CCCC[NH+]2CCC(C)CC2)nn1C ZINC000421331979 296245156 /nfs/dbraw/zinc/24/51/56/296245156.db2.gz KSFKRAKJXHFJHC-UHFFFAOYSA-N 2 1 312.889 2.984 20 0 DFADMP Cc1c(Cl)c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)nn1C ZINC000421334007 296245371 /nfs/dbraw/zinc/24/53/71/296245371.db2.gz OZLARWVRMPJRCY-ZDUSSCGKSA-N 2 1 312.889 2.984 20 0 DFADMP Cc1c(Cl)c(C[NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)nn1C ZINC000421334007 296245372 /nfs/dbraw/zinc/24/53/72/296245372.db2.gz OZLARWVRMPJRCY-ZDUSSCGKSA-N 2 1 312.889 2.984 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000293301897 284605291 /nfs/dbraw/zinc/60/52/91/284605291.db2.gz HUUAOWRKZHKJFX-OAHLLOKOSA-N 2 1 305.466 2.771 20 0 DFADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)oc1C ZINC000609133508 399304557 /nfs/dbraw/zinc/30/45/57/399304557.db2.gz PEYHEQGBDDXIMS-UHFFFAOYSA-N 2 1 322.449 2.927 20 0 DFADMP CCOc1cc(C[NH2+]CCc2c[nH+]cn2C)cc(Cl)c1OC ZINC000623086691 399323785 /nfs/dbraw/zinc/32/37/85/399323785.db2.gz FHBZWEQMIFNZKH-UHFFFAOYSA-N 2 1 323.824 2.813 20 0 DFADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cc(F)ccc1F ZINC000051907774 425883539 /nfs/dbraw/zinc/88/35/39/425883539.db2.gz FCGCIBZIZIKBTK-SFHVURJKSA-N 2 1 324.415 2.806 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000609799080 399331737 /nfs/dbraw/zinc/33/17/37/399331737.db2.gz IZUCCAAQCBGDRF-DLBZAZTESA-N 2 1 313.401 2.743 20 0 DFADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000284548341 218072825 /nfs/dbraw/zinc/07/28/25/218072825.db2.gz FGXJOCHMRGUDJO-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000284685729 218132776 /nfs/dbraw/zinc/13/27/76/218132776.db2.gz HFCVBDZTBFYTSO-ZBFHGGJFSA-N 2 1 324.490 2.615 20 0 DFADMP CCS(=O)(=O)c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000284685729 218132777 /nfs/dbraw/zinc/13/27/77/218132777.db2.gz HFCVBDZTBFYTSO-ZBFHGGJFSA-N 2 1 324.490 2.615 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000610250403 399350904 /nfs/dbraw/zinc/35/09/04/399350904.db2.gz DGSOEVRDJKVMEI-QUCCMNQESA-N 2 1 315.505 2.890 20 0 DFADMP CCOc1c(OC)cc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000105480397 194106626 /nfs/dbraw/zinc/10/66/26/194106626.db2.gz BIIBKFPRMAHTQE-DZGCQCFKSA-N 2 1 322.449 2.532 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1OC ZINC000105480397 194106629 /nfs/dbraw/zinc/10/66/29/194106629.db2.gz BIIBKFPRMAHTQE-DZGCQCFKSA-N 2 1 322.449 2.532 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000105480397 194106632 /nfs/dbraw/zinc/10/66/32/194106632.db2.gz BIIBKFPRMAHTQE-DZGCQCFKSA-N 2 1 322.449 2.532 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000105480397 194106633 /nfs/dbraw/zinc/10/66/33/194106633.db2.gz BIIBKFPRMAHTQE-DZGCQCFKSA-N 2 1 322.449 2.532 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000623340513 399366379 /nfs/dbraw/zinc/36/63/79/399366379.db2.gz LJCAIAHVBDXVAO-HOCLYGCPSA-N 2 1 313.449 2.791 20 0 DFADMP COc1ccc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623335535 399364710 /nfs/dbraw/zinc/36/47/10/399364710.db2.gz RLBFDANWBCXLEV-HNNXBMFYSA-N 2 1 306.450 2.709 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](CN(C)Cc1ccccc1)C(C)C ZINC000284938937 218242924 /nfs/dbraw/zinc/24/29/24/218242924.db2.gz IQLULSGFCXMDBY-LJQANCHMSA-N 2 1 314.477 2.938 20 0 DFADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000422012227 296290560 /nfs/dbraw/zinc/29/05/60/296290560.db2.gz VRVZWHRQQOWRPO-LEOMRAHMSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000623347006 399368200 /nfs/dbraw/zinc/36/82/00/399368200.db2.gz KVLLDFHOEIHCKH-LPHOPBHVSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000623347006 399368203 /nfs/dbraw/zinc/36/82/03/399368203.db2.gz KVLLDFHOEIHCKH-LPHOPBHVSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000623347006 399368205 /nfs/dbraw/zinc/36/82/05/399368205.db2.gz KVLLDFHOEIHCKH-LPHOPBHVSA-N 2 1 315.505 2.896 20 0 DFADMP Brc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000377493508 295477101 /nfs/dbraw/zinc/47/71/01/295477101.db2.gz GKHDPMQNDIDSFA-JTQLQIEISA-N 2 1 312.236 2.812 20 0 DFADMP C[NH+](C)CCOc1cccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623361612 399372787 /nfs/dbraw/zinc/37/27/87/399372787.db2.gz GSHPWRINZGAUMM-KRWDZBQOSA-N 2 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623361612 399372790 /nfs/dbraw/zinc/37/27/90/399372790.db2.gz GSHPWRINZGAUMM-KRWDZBQOSA-N 3 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623361612 399372793 /nfs/dbraw/zinc/37/27/93/399372793.db2.gz GSHPWRINZGAUMM-KRWDZBQOSA-N 3 1 319.493 2.589 20 0 DFADMP CN(C)C(=O)C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623374373 399375047 /nfs/dbraw/zinc/37/50/47/399375047.db2.gz BPDSKHAZGMWDKT-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CN(C)C(=O)C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623374373 399375049 /nfs/dbraw/zinc/37/50/49/399375049.db2.gz BPDSKHAZGMWDKT-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(F)cc1OC ZINC000623388210 399377678 /nfs/dbraw/zinc/37/76/78/399377678.db2.gz AKFHSAYYYBWRTH-CYBMUJFWSA-N 2 1 319.380 2.534 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c(O)cccc32)CCCO1 ZINC000285154483 218311982 /nfs/dbraw/zinc/31/19/82/218311982.db2.gz MJRQNIMVDFBCBR-QAPCUYQASA-N 2 1 318.461 2.860 20 0 DFADMP C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000623418184 399385043 /nfs/dbraw/zinc/38/50/43/399385043.db2.gz GFIHNJMGHKSSBN-DGCLKSJQSA-N 2 1 302.422 2.792 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000623418184 399385047 /nfs/dbraw/zinc/38/50/47/399385047.db2.gz GFIHNJMGHKSSBN-DGCLKSJQSA-N 2 1 302.422 2.792 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623425990 399386501 /nfs/dbraw/zinc/38/65/01/399386501.db2.gz XFZKMCKUILXBLB-OAHLLOKOSA-N 3 1 314.477 2.968 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623425990 399386504 /nfs/dbraw/zinc/38/65/04/399386504.db2.gz XFZKMCKUILXBLB-OAHLLOKOSA-N 3 1 314.477 2.968 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccncc2Cl)C[C@H](C)O1 ZINC000623424982 399386680 /nfs/dbraw/zinc/38/66/80/399386680.db2.gz MYAWHKVJPBTZQK-OKILXGFUSA-N 2 1 311.857 2.714 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC1CC1 ZINC000623430138 399388080 /nfs/dbraw/zinc/38/80/80/399388080.db2.gz CMRVDANGWPIBFH-HIFRSBDPSA-N 2 1 304.434 2.809 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC1CC1 ZINC000623430138 399388082 /nfs/dbraw/zinc/38/80/82/399388082.db2.gz CMRVDANGWPIBFH-HIFRSBDPSA-N 2 1 304.434 2.809 20 0 DFADMP CC[NH+](CC)[C@H](CNC(N)=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC000263992963 284811811 /nfs/dbraw/zinc/81/18/11/284811811.db2.gz WIVDIKIPPLLFJG-GFCCVEGCSA-N 2 1 302.344 2.571 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000109746553 194282045 /nfs/dbraw/zinc/28/20/45/194282045.db2.gz FSWNRLZHKGWATE-ZIAGYGMSSA-N 2 1 308.495 2.706 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000109746553 194282046 /nfs/dbraw/zinc/28/20/46/194282046.db2.gz FSWNRLZHKGWATE-ZIAGYGMSSA-N 2 1 308.495 2.706 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000109788205 194284223 /nfs/dbraw/zinc/28/42/23/194284223.db2.gz ISMYDOJZTVZGPB-UHFFFAOYSA-N 2 1 321.440 2.961 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCOCCOc2ccccc2)CC1 ZINC000109786851 194284512 /nfs/dbraw/zinc/28/45/12/194284512.db2.gz HOIWHFSEDJFUFR-UHFFFAOYSA-N 2 1 320.477 2.888 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(NC(C)=O)c2)CC1 ZINC000109786157 194285168 /nfs/dbraw/zinc/28/51/68/194285168.db2.gz QXINVELLZUPPRQ-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(NC(C)=O)c2)CC1 ZINC000109786157 194285170 /nfs/dbraw/zinc/28/51/70/194285170.db2.gz QXINVELLZUPPRQ-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP COC(=O)c1cc(CN2CCC[C@H](n3ccnc3)C2)c(C)s1 ZINC000610681520 399392925 /nfs/dbraw/zinc/39/29/25/399392925.db2.gz JOFJOVMNKCIXHZ-AWEZNQCLSA-N 2 1 319.430 2.877 20 0 DFADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268838675 207003048 /nfs/dbraw/zinc/00/30/48/207003048.db2.gz TVAOMCXPVYFVCF-HZPDHXFCSA-N 2 1 317.477 2.598 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCc4[nH]cnc4C3)ccc21 ZINC000615874939 399393707 /nfs/dbraw/zinc/39/37/07/399393707.db2.gz ZUZTWUGVDDAALF-ACJLOTCBSA-N 2 1 324.428 2.702 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC000422561086 296312543 /nfs/dbraw/zinc/31/25/43/296312543.db2.gz IXNYSPOGQMSZLY-IIAWOOMASA-N 2 1 316.424 2.817 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1(C)C ZINC000623454341 399394071 /nfs/dbraw/zinc/39/40/71/399394071.db2.gz AIUDNQWUTYGDJW-CQSZACIVSA-N 2 1 302.418 2.867 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1(C)C ZINC000623454341 399394074 /nfs/dbraw/zinc/39/40/74/399394074.db2.gz AIUDNQWUTYGDJW-CQSZACIVSA-N 2 1 302.418 2.867 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000422559487 296312326 /nfs/dbraw/zinc/31/23/26/296312326.db2.gz DFSGHGFRVRBCBV-RDBSUJKOSA-N 2 1 318.490 2.954 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C[NH3+] ZINC000422561088 296312768 /nfs/dbraw/zinc/31/27/68/296312768.db2.gz IXNYSPOGQMSZLY-YCPHGPKFSA-N 2 1 316.424 2.817 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110649743 194346208 /nfs/dbraw/zinc/34/62/08/194346208.db2.gz QHWLKDXRTFBHHH-GFCCVEGCSA-N 2 1 309.841 2.646 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110650370 194346815 /nfs/dbraw/zinc/34/68/15/194346815.db2.gz CAZHXXKXPTUJCX-GFCCVEGCSA-N 2 1 309.841 2.646 20 0 DFADMP CC(C)[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[NH+](C)C ZINC000110870587 194365482 /nfs/dbraw/zinc/36/54/82/194365482.db2.gz UXVSANAESXFMQP-SFHVURJKSA-N 2 1 319.493 2.729 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@@H](C)C1 ZINC000268880110 207050759 /nfs/dbraw/zinc/05/07/59/207050759.db2.gz AVTXGMAJRMSZNU-GJZGRUSLSA-N 2 1 301.434 2.999 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000268880702 207051786 /nfs/dbraw/zinc/05/17/86/207051786.db2.gz WOTKATQJYDLQDX-GJYPPUQNSA-N 2 1 317.477 2.594 20 0 DFADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268889787 207058693 /nfs/dbraw/zinc/05/86/93/207058693.db2.gz ZXYGDIOEWUMPQL-WBVHZDCISA-N 2 1 306.450 2.581 20 0 DFADMP CCC[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000619895426 399400877 /nfs/dbraw/zinc/40/08/77/399400877.db2.gz LAQGXYWBFGPXEB-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000422640727 296317720 /nfs/dbraw/zinc/31/77/20/296317720.db2.gz VYFOFEABDOABET-IJEWVQPXSA-N 2 1 314.433 2.584 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC000623501770 399403412 /nfs/dbraw/zinc/40/34/12/399403412.db2.gz IRASCYGQMPTOQG-AWEZNQCLSA-N 2 1 321.431 2.723 20 0 DFADMP C[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]1 ZINC000422699050 296318286 /nfs/dbraw/zinc/31/82/86/296318286.db2.gz CHOCCBAGXKSAIT-CRAIPNDOSA-N 2 1 301.478 2.553 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000623502771 399403321 /nfs/dbraw/zinc/40/33/21/399403321.db2.gz ZZOACDWHTDFWTI-IPYPFGDCSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422703005 296318528 /nfs/dbraw/zinc/31/85/28/296318528.db2.gz MBKUKWORVDMOFE-VQIMIIECSA-N 2 1 315.505 2.944 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268930363 207097885 /nfs/dbraw/zinc/09/78/85/207097885.db2.gz ZGPXXRQJWQKSAU-QFBILLFUSA-N 2 1 304.478 2.690 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)N1CCc2sccc2C1 ZINC000422721993 296321591 /nfs/dbraw/zinc/32/15/91/296321591.db2.gz WNSRRGIHEMEIBK-STQMWFEESA-N 2 1 316.474 2.653 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)c1c[nH+]ccc1N ZINC000422721992 296321725 /nfs/dbraw/zinc/32/17/25/296321725.db2.gz WNSRRGIHEMEIBK-QWHCGFSZSA-N 2 1 316.474 2.653 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000422720321 296321231 /nfs/dbraw/zinc/32/12/31/296321231.db2.gz ZDYIDPLZENYRMN-FUHWJXTLSA-N 2 1 317.477 2.545 20 0 DFADMP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623570427 399419157 /nfs/dbraw/zinc/41/91/57/399419157.db2.gz RIKBQWKWHYCDGE-IKGGRYGDSA-N 2 1 304.482 2.594 20 0 DFADMP C(C1CC1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422724955 296322117 /nfs/dbraw/zinc/32/21/17/296322117.db2.gz XGNKLAZNZUPRSL-GUDVDZBRSA-N 3 1 305.510 2.761 20 0 DFADMP CCc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000422729472 296322864 /nfs/dbraw/zinc/32/28/64/296322864.db2.gz IDWGLGIKUQBFEL-QRVBRYPASA-N 2 1 303.494 2.959 20 0 DFADMP CCOC(=O)CCC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000610997835 399426786 /nfs/dbraw/zinc/42/67/86/399426786.db2.gz KBEUVUNRXZBOHS-QGZVFWFLSA-N 2 1 310.482 2.916 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269015803 207167238 /nfs/dbraw/zinc/16/72/38/207167238.db2.gz OIAPAQMVRBJPIG-CWLKWCNXSA-N 2 1 322.518 2.599 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269015803 207167243 /nfs/dbraw/zinc/16/72/43/207167243.db2.gz OIAPAQMVRBJPIG-CWLKWCNXSA-N 2 1 322.518 2.599 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000269009991 207162512 /nfs/dbraw/zinc/16/25/12/207162512.db2.gz NKBUXDMRMWHJEW-MRXNPFEDSA-N 2 1 321.484 2.762 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623654798 399435750 /nfs/dbraw/zinc/43/57/50/399435750.db2.gz JKQDXTSJSNZZDY-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000623657640 399436338 /nfs/dbraw/zinc/43/63/38/399436338.db2.gz VUJYBHWFNMYBQE-HIFRSBDPSA-N 2 1 309.479 2.816 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000623657640 399436340 /nfs/dbraw/zinc/43/63/40/399436340.db2.gz VUJYBHWFNMYBQE-HIFRSBDPSA-N 2 1 309.479 2.816 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000623657218 399436858 /nfs/dbraw/zinc/43/68/58/399436858.db2.gz LNESLFHNWVVXRJ-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623655042 399435565 /nfs/dbraw/zinc/43/55/65/399435565.db2.gz MVBBCJGPPFTUAV-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP COCCOc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623655620 399435621 /nfs/dbraw/zinc/43/56/21/399435621.db2.gz ALSNUPWNGFMPSC-QGZVFWFLSA-N 2 1 306.450 2.533 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC2 ZINC000623657686 399437993 /nfs/dbraw/zinc/43/79/93/399437993.db2.gz WPCHTLDFWBTIOH-CRAIPNDOSA-N 2 1 302.462 2.874 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623733396 399453331 /nfs/dbraw/zinc/45/33/31/399453331.db2.gz LDFCBJQUYJOXDY-KYHPRHEASA-N 2 1 318.465 2.510 20 0 DFADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000611322979 399462134 /nfs/dbraw/zinc/46/21/34/399462134.db2.gz ILVCBTGNVQPSPZ-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)C(C)(C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000611322979 399462136 /nfs/dbraw/zinc/46/21/36/399462136.db2.gz ILVCBTGNVQPSPZ-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)C(C)(C)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000611322979 399462139 /nfs/dbraw/zinc/46/21/39/399462139.db2.gz ILVCBTGNVQPSPZ-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137066 207268274 /nfs/dbraw/zinc/26/82/74/207268274.db2.gz UHXCYVJMQQWIHV-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137066 207268279 /nfs/dbraw/zinc/26/82/79/207268279.db2.gz UHXCYVJMQQWIHV-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137066 207268282 /nfs/dbraw/zinc/26/82/82/207268282.db2.gz UHXCYVJMQQWIHV-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[NH+]1C ZINC000623785766 399465426 /nfs/dbraw/zinc/46/54/26/399465426.db2.gz IRLNIVXSXYIVLD-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[N@@H+]1C ZINC000623785766 399465430 /nfs/dbraw/zinc/46/54/30/399465430.db2.gz IRLNIVXSXYIVLD-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[N@H+]1C ZINC000623785766 399465431 /nfs/dbraw/zinc/46/54/31/399465431.db2.gz IRLNIVXSXYIVLD-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP CN1CCC[C@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000623785766 399465439 /nfs/dbraw/zinc/46/54/39/399465439.db2.gz IRLNIVXSXYIVLD-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP COCCCOc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000063903753 184290314 /nfs/dbraw/zinc/29/03/14/184290314.db2.gz LMVZIXUQJUWUFK-UHFFFAOYSA-N 2 1 318.461 2.818 20 0 DFADMP C[N@@H+]1CCC[C@H]1CNCc1cnn(Cc2ccccc2Cl)c1 ZINC000623785321 399465299 /nfs/dbraw/zinc/46/52/99/399465299.db2.gz KEEBXCLHRYOAHJ-INIZCTEOSA-N 2 1 318.852 2.769 20 0 DFADMP C[N@H+]1CCC[C@H]1CNCc1cnn(Cc2ccccc2Cl)c1 ZINC000623785321 399465301 /nfs/dbraw/zinc/46/53/01/399465301.db2.gz KEEBXCLHRYOAHJ-INIZCTEOSA-N 2 1 318.852 2.769 20 0 DFADMP C[C@@H]1CCc2nc(C[NH+]3CCC(OCCC[NH3+])CC3)sc2C1 ZINC000346694496 284928766 /nfs/dbraw/zinc/92/87/66/284928766.db2.gz UPJYGWOITBGYND-CYBMUJFWSA-N 2 1 323.506 2.598 20 0 DFADMP CC[C@H](C(=O)N1CCCC[C@H]1[C@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422735828 296323785 /nfs/dbraw/zinc/32/37/85/296323785.db2.gz WTUBLPXVMAETLR-JQHSSLGASA-N 2 1 317.477 2.625 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@@H]1[NH3+])c1c(F)cccc1F ZINC000422745626 296325326 /nfs/dbraw/zinc/32/53/26/296325326.db2.gz MPTOPCXHFXBECJ-ARFHVFGLSA-N 2 1 311.420 2.817 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CCCCC[C@H]1[NH3+])c1c(F)cccc1F ZINC000422745629 296325332 /nfs/dbraw/zinc/32/53/32/296325332.db2.gz MPTOPCXHFXBECJ-OWCLPIDISA-N 2 1 311.420 2.817 20 0 DFADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422756727 296327585 /nfs/dbraw/zinc/32/75/85/296327585.db2.gz HZOVZWAFGGYNTK-APHBMKBZSA-N 2 1 317.458 2.652 20 0 DFADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422756730 296327640 /nfs/dbraw/zinc/32/76/40/296327640.db2.gz HZOVZWAFGGYNTK-RCBQFDQVSA-N 2 1 317.458 2.652 20 0 DFADMP CC[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422761531 296328576 /nfs/dbraw/zinc/32/85/76/296328576.db2.gz MVQDVGBLZMHTKV-FHWLQOOXSA-N 2 1 301.478 2.771 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2nc(C)cs2)CC1 ZINC000623861884 399482189 /nfs/dbraw/zinc/48/21/89/399482189.db2.gz FSCUPIXPOVRJDK-HNNXBMFYSA-N 2 1 310.511 2.520 20 0 DFADMP CC[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422786030 296332544 /nfs/dbraw/zinc/33/25/44/296332544.db2.gz NZVZSIFBEQAMIF-LPHOPBHVSA-N 2 1 303.494 2.657 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422790593 296333202 /nfs/dbraw/zinc/33/32/02/296333202.db2.gz PKPXMIBCBYBWRF-OLZOCXBDSA-N 2 1 301.390 2.621 20 0 DFADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000422787596 296333095 /nfs/dbraw/zinc/33/30/95/296333095.db2.gz RSSCIDNEOBOYQP-ICUGJSFKSA-N 2 1 300.446 2.883 20 0 DFADMP CC[C@@H]([NH2+]CCc1ccc(OC)cc1OC)[C@@H]1CCCC[NH2+]1 ZINC000422790197 296333247 /nfs/dbraw/zinc/33/32/47/296333247.db2.gz XIVPEUOULRSCFU-SJORKVTESA-N 2 1 306.450 2.757 20 0 DFADMP C[N@@H+]1CC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC000623948180 399501228 /nfs/dbraw/zinc/50/12/28/399501228.db2.gz DEHLRNDEEHNUBN-SFHVURJKSA-N 2 1 317.477 2.804 20 0 DFADMP C[N@H+]1CC[C@H](Nc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC000623948180 399501233 /nfs/dbraw/zinc/50/12/33/399501233.db2.gz DEHLRNDEEHNUBN-SFHVURJKSA-N 2 1 317.477 2.804 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797437 296334751 /nfs/dbraw/zinc/33/47/51/296334751.db2.gz MNDCWTLCRJXIHQ-SZVBFZGTSA-N 2 1 319.493 2.666 20 0 DFADMP c1ccc(C[NH+]2CCCCC2)c(CN[C@H]2CCC[NH2+]CC2)c1 ZINC000422796877 296334858 /nfs/dbraw/zinc/33/48/58/296334858.db2.gz ZIFLHHNKNGOUSW-IBGZPJMESA-N 2 1 301.478 2.904 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422798336 296334956 /nfs/dbraw/zinc/33/49/56/296334956.db2.gz QRRXJENDEAEOTP-CRAIPNDOSA-N 2 1 316.493 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(CC2CCCC2)C1 ZINC000422798336 296334957 /nfs/dbraw/zinc/33/49/57/296334957.db2.gz QRRXJENDEAEOTP-CRAIPNDOSA-N 2 1 316.493 2.764 20 0 DFADMP CC[C@@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422802496 296335929 /nfs/dbraw/zinc/33/59/29/296335929.db2.gz DKBFKHFWAFCHTE-AEFFLSMTSA-N 2 1 312.461 2.921 20 0 DFADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422814087 296337962 /nfs/dbraw/zinc/33/79/62/296337962.db2.gz ZMHSYZQQDYVZDI-BZUAXINKSA-N 2 1 324.465 2.794 20 0 DFADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000631844723 399506146 /nfs/dbraw/zinc/50/61/46/399506146.db2.gz LRNGSDNGVNDCQL-RDTXWAMCSA-N 2 1 313.449 2.868 20 0 DFADMP C[C@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000631842678 399506767 /nfs/dbraw/zinc/50/67/67/399506767.db2.gz DMKNOOZAPMWAJU-WCQYABFASA-N 2 1 310.825 2.528 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000631842678 399506773 /nfs/dbraw/zinc/50/67/73/399506773.db2.gz DMKNOOZAPMWAJU-WCQYABFASA-N 2 1 310.825 2.528 20 0 DFADMP CCC[N@@H+](CC)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422816888 296338622 /nfs/dbraw/zinc/33/86/22/296338622.db2.gz BPASBJLEQWZPEJ-OALUTQOASA-N 2 1 319.493 2.810 20 0 DFADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845822 399507746 /nfs/dbraw/zinc/50/77/46/399507746.db2.gz LRIJWCWAXFTQKQ-MFKMUULPSA-N 2 1 323.803 2.537 20 0 DFADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845822 399507751 /nfs/dbraw/zinc/50/77/51/399507751.db2.gz LRIJWCWAXFTQKQ-MFKMUULPSA-N 2 1 323.803 2.537 20 0 DFADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000422826814 296340302 /nfs/dbraw/zinc/34/03/02/296340302.db2.gz CQTSZEOOWJRCSZ-MSOLQXFVSA-N 2 1 310.445 2.731 20 0 DFADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000631846368 399508200 /nfs/dbraw/zinc/50/82/00/399508200.db2.gz XYULIFWSZZVCJM-NVXWUHKLSA-N 2 1 313.449 2.670 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@H]1CCCC[NH2+]1 ZINC000422829508 296340628 /nfs/dbraw/zinc/34/06/28/296340628.db2.gz UPHIIGACIKBNKS-DZGCQCFKSA-N 2 1 304.434 2.813 20 0 DFADMP Cc1cc(C)c([C@@H](C)[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000631846370 399508360 /nfs/dbraw/zinc/50/83/60/399508360.db2.gz XYULIFWSZZVCJM-WBVHZDCISA-N 2 1 313.449 2.670 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422839126 296342364 /nfs/dbraw/zinc/34/23/64/296342364.db2.gz ZGVAHSBXFRLPFX-HZPDHXFCSA-N 2 1 300.450 2.731 20 0 DFADMP C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422833299 296341335 /nfs/dbraw/zinc/34/13/35/296341335.db2.gz MHHPGCXAJBCADQ-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834946 296341859 /nfs/dbraw/zinc/34/18/59/296341859.db2.gz HZWQVDBPUJQBGD-HLLBOEOZSA-N 2 1 307.507 2.690 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422836179 296341950 /nfs/dbraw/zinc/34/19/50/296341950.db2.gz JKXVQIVCBTXOCT-HLLBOEOZSA-N 2 1 307.507 2.677 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422836179 296341952 /nfs/dbraw/zinc/34/19/52/296341952.db2.gz JKXVQIVCBTXOCT-HLLBOEOZSA-N 2 1 307.507 2.677 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841266 296342643 /nfs/dbraw/zinc/34/26/43/296342643.db2.gz VLGDPXXIHVDXCT-XHSDSOJGSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841266 296342645 /nfs/dbraw/zinc/34/26/45/296342645.db2.gz VLGDPXXIHVDXCT-XHSDSOJGSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841266 296342647 /nfs/dbraw/zinc/34/26/47/296342647.db2.gz VLGDPXXIHVDXCT-XHSDSOJGSA-N 3 1 307.507 2.548 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841266 296342649 /nfs/dbraw/zinc/34/26/49/296342649.db2.gz VLGDPXXIHVDXCT-XHSDSOJGSA-N 3 1 307.507 2.548 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422848919 296344192 /nfs/dbraw/zinc/34/41/92/296344192.db2.gz BINRBCZRYFVJOE-WQVCFCJDSA-N 2 1 309.404 2.664 20 0 DFADMP C1CCC([N@H+]2CC[C@@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)C1 ZINC000422855925 296345673 /nfs/dbraw/zinc/34/56/73/296345673.db2.gz DHPAROQDZIMKEZ-QXCFHYIPSA-N 2 1 305.510 2.904 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C2CC[NH2+]CC2)ccc1OC(F)F ZINC000422856080 296345677 /nfs/dbraw/zinc/34/56/77/296345677.db2.gz FOHCDFBXEUDZAK-SNVBAGLBSA-N 2 1 300.349 2.699 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422862816 296346750 /nfs/dbraw/zinc/34/67/50/296346750.db2.gz QKQMBTXFCHEGRP-ZFWWWQNUSA-N 2 1 306.450 2.712 20 0 DFADMP CC[C@H](C(=O)N[C@H]1CCCC[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422866062 296346994 /nfs/dbraw/zinc/34/69/94/296346994.db2.gz PPHRYZBXYHOQOG-FGTMMUONSA-N 2 1 317.477 2.531 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422866319 296347088 /nfs/dbraw/zinc/34/70/88/296347088.db2.gz QEGWQYJFSFOUKI-LIRRHRJNSA-N 2 1 311.429 2.693 20 0 DFADMP CC[C@H](C(=O)N[C@@H]1CCCC[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422866065 296347108 /nfs/dbraw/zinc/34/71/08/296347108.db2.gz PPHRYZBXYHOQOG-RCCFBDPRSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866512 296347241 /nfs/dbraw/zinc/34/72/41/296347241.db2.gz QLQUTAWKDNYOKM-HOTGVXAUSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866512 296347243 /nfs/dbraw/zinc/34/72/43/296347243.db2.gz QLQUTAWKDNYOKM-HOTGVXAUSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866512 296347244 /nfs/dbraw/zinc/34/72/44/296347244.db2.gz QLQUTAWKDNYOKM-HOTGVXAUSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422874397 296348277 /nfs/dbraw/zinc/34/82/77/296348277.db2.gz CSPHVGVVGYHHOG-HOTGVXAUSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422878072 296349110 /nfs/dbraw/zinc/34/91/10/296349110.db2.gz IVQXDMREIPIQIX-RHQZKXFESA-N 2 1 307.526 2.865 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422878072 296349112 /nfs/dbraw/zinc/34/91/12/296349112.db2.gz IVQXDMREIPIQIX-RHQZKXFESA-N 3 1 307.526 2.865 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422878072 296349113 /nfs/dbraw/zinc/34/91/13/296349113.db2.gz IVQXDMREIPIQIX-RHQZKXFESA-N 3 1 307.526 2.865 20 0 DFADMP C[C@H](NCc1ccccc1C[N@@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422874397 296348278 /nfs/dbraw/zinc/34/82/78/296348278.db2.gz CSPHVGVVGYHHOG-HOTGVXAUSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@H](NCc1ccccc1C[N@H+]1CCC[C@H](C)C1)C1C[NH2+]C1 ZINC000422874397 296348279 /nfs/dbraw/zinc/34/82/79/296348279.db2.gz CSPHVGVVGYHHOG-HOTGVXAUSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000119700164 195021458 /nfs/dbraw/zinc/02/14/58/195021458.db2.gz JQLOFEWYFLREBA-ASSNKEHSSA-N 2 1 306.475 2.701 20 0 DFADMP C[C@@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422887512 296350793 /nfs/dbraw/zinc/35/07/93/296350793.db2.gz YZVXWQDCEBHGHZ-BZUAXINKSA-N 3 1 304.482 2.903 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000119673719 195014201 /nfs/dbraw/zinc/01/42/01/195014201.db2.gz YQIQNLJNNWRWAO-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000119673719 195014203 /nfs/dbraw/zinc/01/42/03/195014203.db2.gz YQIQNLJNNWRWAO-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000119673719 195014204 /nfs/dbraw/zinc/01/42/04/195014204.db2.gz YQIQNLJNNWRWAO-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000119673719 195014206 /nfs/dbraw/zinc/01/42/06/195014206.db2.gz YQIQNLJNNWRWAO-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000119673719 195014208 /nfs/dbraw/zinc/01/42/08/195014208.db2.gz YQIQNLJNNWRWAO-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H](C)[C@@H]2CCCC[NH2+]2)cc1F ZINC000422900495 296353129 /nfs/dbraw/zinc/35/31/29/296353129.db2.gz JJXUUIUUVAXILW-GUYCJALGSA-N 2 1 316.424 2.940 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347415958 285043487 /nfs/dbraw/zinc/04/34/87/285043487.db2.gz PQUNHHBOWUDYFS-NFWHEIDTSA-N 2 1 302.462 2.789 20 0 DFADMP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422912837 296354819 /nfs/dbraw/zinc/35/48/19/296354819.db2.gz WZMAQTXYZOGNPF-YUELXQCFSA-N 2 1 323.868 2.657 20 0 DFADMP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]1 ZINC000422912197 296355054 /nfs/dbraw/zinc/35/50/54/296355054.db2.gz MOUGAZHVJGYKLK-NWDGAFQWSA-N 2 1 308.376 2.704 20 0 DFADMP C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422931552 296356713 /nfs/dbraw/zinc/35/67/13/296356713.db2.gz XULGEMFFLOGRSY-WCQYABFASA-N 2 1 302.340 2.858 20 0 DFADMP FC(F)(F)COCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422931091 296356791 /nfs/dbraw/zinc/35/67/91/296356791.db2.gz WXZPDLDRMUSRPT-ZIAGYGMSSA-N 2 1 302.340 2.648 20 0 DFADMP CCNC(=O)c1cccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422933584 296357216 /nfs/dbraw/zinc/35/72/16/296357216.db2.gz BJSFPAAWYGRFDM-QAPCUYQASA-N 2 1 317.477 2.837 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887488 399519550 /nfs/dbraw/zinc/51/95/50/399519550.db2.gz SBOIMDVNQYFADT-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@H]3CCC[NH2+]CC3)c2)C[C@H](C)O1 ZINC000422955830 296360684 /nfs/dbraw/zinc/36/06/84/296360684.db2.gz NSKFWIFAAPJDRI-JZXOWHBKSA-N 2 1 317.477 2.850 20 0 DFADMP CCc1noc(-c2ccc(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422958273 296361069 /nfs/dbraw/zinc/36/10/69/296361069.db2.gz OXPUXOYTUMIREY-XJKSGUPXSA-N 2 1 314.433 2.572 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347537815 285072391 /nfs/dbraw/zinc/07/23/91/285072391.db2.gz RNLOIDJCCBWPNX-HNNXBMFYSA-N 2 1 315.461 2.674 20 0 DFADMP CCN(CC)C(=O)CCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422957750 296361158 /nfs/dbraw/zinc/36/11/58/296361158.db2.gz NVOAQOAJIPXKNM-QZTJIDSGSA-N 2 1 317.477 2.718 20 0 DFADMP CCC(CC)[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)N(C)C ZINC000422968599 296362707 /nfs/dbraw/zinc/36/27/07/296362707.db2.gz XGSFSLLCJDHNTE-FZKQIMNGSA-N 2 1 306.498 2.866 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC000347542325 285075181 /nfs/dbraw/zinc/07/51/81/285075181.db2.gz GGPFQFGCWMKTPD-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](Cc1ccc(-n3cccn3)cc1)CC2 ZINC000347542325 285075182 /nfs/dbraw/zinc/07/51/82/285075182.db2.gz GGPFQFGCWMKTPD-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)c1c[nH+]ccc1N ZINC000422968553 296362445 /nfs/dbraw/zinc/36/24/45/296362445.db2.gz WYRYLMWZIDQKMJ-YOEHRIQHSA-N 2 1 314.433 2.965 20 0 DFADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccco1)c1ccccc1OC ZINC000422985837 296364214 /nfs/dbraw/zinc/36/42/14/296364214.db2.gz AONHLDFZXBLRIH-RDTXWAMCSA-N 2 1 318.417 2.721 20 0 DFADMP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCN1 ZINC000422989031 296364630 /nfs/dbraw/zinc/36/46/30/296364630.db2.gz LKOVXCGCROOHDO-MOPGFXCFSA-N 2 1 316.493 2.808 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000270186947 208251400 /nfs/dbraw/zinc/25/14/00/208251400.db2.gz GUSRQRCMNUMAGH-AWEZNQCLSA-N 2 1 306.435 2.679 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(c3nc4ccccc4n4cncc34)CC[C@@H]21 ZINC000624041029 399533265 /nfs/dbraw/zinc/53/32/65/399533265.db2.gz HBSPNUSXHJSTAW-HOCLYGCPSA-N 2 1 321.428 2.803 20 0 DFADMP CC[C@@H]([NH2+]CCOCc1cccc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000423006777 296366466 /nfs/dbraw/zinc/36/64/66/296366466.db2.gz WIKGOFOLLMQBFY-MSOLQXFVSA-N 2 1 306.450 2.722 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423006183 296366846 /nfs/dbraw/zinc/36/68/46/296366846.db2.gz UKOKCNONOARTNY-LULLPPNCSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000423006183 296366847 /nfs/dbraw/zinc/36/68/47/296366847.db2.gz UKOKCNONOARTNY-LULLPPNCSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@H]2N)C[N@H+]1Cc1ccccc1 ZINC000423006183 296366848 /nfs/dbraw/zinc/36/68/48/296366848.db2.gz UKOKCNONOARTNY-LULLPPNCSA-N 2 1 301.478 2.757 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423014658 296367796 /nfs/dbraw/zinc/36/77/96/296367796.db2.gz PLCVPWOWHUHYQW-CYBMUJFWSA-N 2 1 315.417 2.795 20 0 DFADMP CS[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000423026883 296369341 /nfs/dbraw/zinc/36/93/41/296369341.db2.gz CMCGELAZORKVPV-GBJTYRQASA-N 2 1 300.512 2.511 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@H]2C)cc1)C(C)C ZINC000261889908 285098596 /nfs/dbraw/zinc/09/85/96/285098596.db2.gz VGGJSYLFWUPEID-WBVHZDCISA-N 2 1 317.477 2.726 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@H](O)C(F)(F)F ZINC000423027915 296369614 /nfs/dbraw/zinc/36/96/14/296369614.db2.gz RVRZALCGHLQLOX-QPSCCSFWSA-N 2 1 316.367 2.771 20 0 DFADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423039960 296370871 /nfs/dbraw/zinc/37/08/71/296370871.db2.gz GJBZGGMXINKSCJ-DZUNGVIMSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423039960 296370873 /nfs/dbraw/zinc/37/08/73/296370873.db2.gz GJBZGGMXINKSCJ-DZUNGVIMSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423039960 296370875 /nfs/dbraw/zinc/37/08/75/296370875.db2.gz GJBZGGMXINKSCJ-DZUNGVIMSA-N 3 1 313.489 2.770 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1COc2ccc(F)cc21 ZINC000423045697 296371550 /nfs/dbraw/zinc/37/15/50/296371550.db2.gz DGENKWGFTGRCDY-ZBEGNZNMSA-N 2 1 301.365 2.772 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000159307660 197344008 /nfs/dbraw/zinc/34/40/08/197344008.db2.gz RUVCHAQJCHNXDA-CYBMUJFWSA-N 2 1 319.449 2.789 20 0 DFADMP CC[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423070576 296375037 /nfs/dbraw/zinc/37/50/37/296375037.db2.gz GGQQATQGJVBVGT-FHWLQOOXSA-N 2 1 304.478 2.738 20 0 DFADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(COCCOC)cc2)CC1 ZINC000347659025 285117099 /nfs/dbraw/zinc/11/70/99/285117099.db2.gz XQQDMUCIEXBRKV-UHFFFAOYSA-N 2 1 320.477 2.766 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(COCCOC)cc2)CC1 ZINC000347659025 285117101 /nfs/dbraw/zinc/11/71/01/285117101.db2.gz XQQDMUCIEXBRKV-UHFFFAOYSA-N 2 1 320.477 2.766 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423076284 296375608 /nfs/dbraw/zinc/37/56/08/296375608.db2.gz QTHIIWUYGKVHPV-HCXYKTFWSA-N 2 1 320.452 2.802 20 0 DFADMP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423098525 296377797 /nfs/dbraw/zinc/37/77/97/296377797.db2.gz SCLLZWYREVPKPZ-FUUSMOTLSA-N 2 1 318.436 2.818 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120051 399559123 /nfs/dbraw/zinc/55/91/23/399559123.db2.gz QKTPLWNSEULUJI-LSDHHAIUSA-N 2 1 321.440 2.864 20 0 DFADMP CCC[NH+]1CCC(N(C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347680053 285127593 /nfs/dbraw/zinc/12/75/93/285127593.db2.gz XEYBVPIKRNKCBM-UHFFFAOYSA-N 2 1 310.511 2.511 20 0 DFADMP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000423102265 296378639 /nfs/dbraw/zinc/37/86/39/296378639.db2.gz DSYFKLOZXZTOSQ-LKFCYVNXSA-N 2 1 303.233 2.614 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCCC[N@H+](C)C3)c(C)n2n1 ZINC000624122006 399560399 /nfs/dbraw/zinc/56/03/99/399560399.db2.gz HQOFCGVSCHPIMC-HOCLYGCPSA-N 2 1 315.465 2.729 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)c(C)n2n1 ZINC000624122006 399560404 /nfs/dbraw/zinc/56/04/04/399560404.db2.gz HQOFCGVSCHPIMC-HOCLYGCPSA-N 2 1 315.465 2.729 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423112934 296380202 /nfs/dbraw/zinc/38/02/02/296380202.db2.gz SVQCTXDVZOTIMN-FHWLQOOXSA-N 2 1 301.478 2.944 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119135 296380764 /nfs/dbraw/zinc/38/07/64/296380764.db2.gz BGXKZJYVUUHIOS-HHXXYDBFSA-N 2 1 317.477 2.561 20 0 DFADMP CC(C)N(C)C[C@@H](C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119135 296380765 /nfs/dbraw/zinc/38/07/65/296380765.db2.gz BGXKZJYVUUHIOS-HHXXYDBFSA-N 2 1 317.477 2.561 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@H]1CC[NH+](C(C)(C)C)C1)C1CCCCC1 ZINC000617000172 399561797 /nfs/dbraw/zinc/56/17/97/399561797.db2.gz UYLRKXPDSLJELM-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+](CCC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCCCC1 ZINC000617000172 399561802 /nfs/dbraw/zinc/56/18/02/399561802.db2.gz UYLRKXPDSLJELM-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+](CCC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)C1CCCCC1 ZINC000617000172 399561806 /nfs/dbraw/zinc/56/18/06/399561806.db2.gz UYLRKXPDSLJELM-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP Clc1cc2c(s1)CC[C@@H]2N[C@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423119764 296380839 /nfs/dbraw/zinc/38/08/39/296380839.db2.gz DPQMYVGNBXERDR-YWPYICTPSA-N 2 1 312.866 2.745 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000423126710 296381440 /nfs/dbraw/zinc/38/14/40/296381440.db2.gz OOVFZEIOXQNQKA-HUUCEWRRSA-N 2 1 305.466 2.984 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423131596 296382215 /nfs/dbraw/zinc/38/22/15/296382215.db2.gz AUDLIACIHAOFAV-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C2CC2)cc1 ZINC000423134061 296382658 /nfs/dbraw/zinc/38/26/58/296382658.db2.gz RNTAVYWSWQXWDB-VNTMZGSJSA-N 2 1 314.473 2.927 20 0 DFADMP CCC[C@H](C)C(=O)NCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423131794 296382385 /nfs/dbraw/zinc/38/23/85/296382385.db2.gz OKDSSWGUTVIZLU-JQHSSLGASA-N 2 1 317.477 2.622 20 0 DFADMP COc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423138434 296383397 /nfs/dbraw/zinc/38/33/97/296383397.db2.gz SSCJHJZOZUKCKE-DGCLKSJQSA-N 2 1 312.841 2.630 20 0 DFADMP CC[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCC[NH2+]1 ZINC000423138726 296383449 /nfs/dbraw/zinc/38/34/49/296383449.db2.gz TYKKWTMSDBJWML-KGLIPLIRSA-N 2 1 301.356 2.763 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000423142921 296384252 /nfs/dbraw/zinc/38/42/52/296384252.db2.gz BQMWPMPDLUZPKV-JLSDUUJJSA-N 2 1 321.534 2.989 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3CC34CCOCC4)CC[NH2+]2)cc1 ZINC000423146829 296384599 /nfs/dbraw/zinc/38/45/99/296384599.db2.gz BEIKRVDGIHYTHR-KURKYZTESA-N 2 1 300.446 2.886 20 0 DFADMP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423149850 296385509 /nfs/dbraw/zinc/38/55/09/296385509.db2.gz XZHVEQXEZLQAKT-UHOSZYNNSA-N 2 1 318.436 2.950 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCOC4)C3)CCN2)cc1 ZINC000423154829 296385824 /nfs/dbraw/zinc/38/58/24/296385824.db2.gz KBGAGFSDRBKLTE-GBESFXJTSA-N 2 1 300.446 2.982 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@@]4(CCOC4)C3)CC[NH2+]2)cc1 ZINC000423154829 296385825 /nfs/dbraw/zinc/38/58/25/296385825.db2.gz KBGAGFSDRBKLTE-GBESFXJTSA-N 2 1 300.446 2.982 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@@]4(CCOC4)C3)CC[NH2+]2)cc1 ZINC000423154829 296385826 /nfs/dbraw/zinc/38/58/26/296385826.db2.gz KBGAGFSDRBKLTE-GBESFXJTSA-N 2 1 300.446 2.982 20 0 DFADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423161863 296386813 /nfs/dbraw/zinc/38/68/13/296386813.db2.gz JVKLIWNMSRSYOQ-NWDGAFQWSA-N 2 1 303.381 2.924 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@@H]1CCN[C@H](c2ccccc2)C1)C1CC1 ZINC000423161887 296386992 /nfs/dbraw/zinc/38/69/92/296386992.db2.gz JXEGSQCZSBURJI-MJGOQNOKSA-N 2 1 301.478 2.944 20 0 DFADMP C[N@H+](CCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC1 ZINC000423161887 296386993 /nfs/dbraw/zinc/38/69/93/296386993.db2.gz JXEGSQCZSBURJI-MJGOQNOKSA-N 3 1 301.478 2.944 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC1 ZINC000423161887 296386995 /nfs/dbraw/zinc/38/69/95/296386995.db2.gz JXEGSQCZSBURJI-MJGOQNOKSA-N 3 1 301.478 2.944 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423159218 296386556 /nfs/dbraw/zinc/38/65/56/296386556.db2.gz XPHNFAPQXWUYEB-FUHWJXTLSA-N 2 1 301.478 2.629 20 0 DFADMP CC1(C)CCC[N@H+]1CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423169242 296387839 /nfs/dbraw/zinc/38/78/39/296387839.db2.gz VVIUBXAQFPMPKR-ROUUACIJSA-N 2 1 301.478 2.944 20 0 DFADMP Clc1cc(Br)cc(C[NH2+]C2CC[NH2+]CC2)c1 ZINC000423178801 296388848 /nfs/dbraw/zinc/38/88/48/296388848.db2.gz IOWRCJHYUCRPEX-UHFFFAOYSA-N 2 1 303.631 2.944 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)[C@H](C)[C@@H]1OC ZINC000423192733 296390878 /nfs/dbraw/zinc/39/08/78/296390878.db2.gz VYLVWKVEDHKMOU-JQHSSLGASA-N 2 1 319.493 2.991 20 0 DFADMP COc1cccc(N2CC[C@@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000157475001 197190467 /nfs/dbraw/zinc/19/04/67/197190467.db2.gz QLHMAVREELRQGM-YESZJQIVSA-N 2 1 317.477 2.594 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423200744 296391991 /nfs/dbraw/zinc/39/19/91/296391991.db2.gz MZLYHZDGWUVEPT-CYBMUJFWSA-N 2 1 313.239 2.862 20 0 DFADMP C[C@@H]1[C@@H](NC[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423214301 296393065 /nfs/dbraw/zinc/39/30/65/296393065.db2.gz OPFHOPKDHKHLON-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1[C@@H](NC[C@@H]2CCC[NH2+]C2)CCC[N@H+]1Cc1ccccc1 ZINC000423214301 296393067 /nfs/dbraw/zinc/39/30/67/296393067.db2.gz OPFHOPKDHKHLON-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000423219286 296393784 /nfs/dbraw/zinc/39/37/84/296393784.db2.gz SZNSKXHWTIMSIP-YDHLFZDLSA-N 2 1 319.449 2.692 20 0 DFADMP C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@@H]1CCC[NH2+]C1 ZINC000423218072 296393815 /nfs/dbraw/zinc/39/38/15/296393815.db2.gz RHKSFAVRRRKSEU-LZLYRXPVSA-N 2 1 319.493 2.666 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC[C@@H](C)[NH3+])c(Br)c1 ZINC000423222313 296394017 /nfs/dbraw/zinc/39/40/17/296394017.db2.gz AOPFOIXPHDWBBB-ZJUUUORDSA-N 2 1 301.228 2.846 20 0 DFADMP CO[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563561 399588294 /nfs/dbraw/zinc/58/82/94/399588294.db2.gz SZCHENSCTFIJBK-ROUUACIJSA-N 2 1 324.440 2.556 20 0 DFADMP CO[C@@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563561 399588298 /nfs/dbraw/zinc/58/82/98/399588298.db2.gz SZCHENSCTFIJBK-ROUUACIJSA-N 2 1 324.440 2.556 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423238551 296395894 /nfs/dbraw/zinc/39/58/94/296395894.db2.gz QZSKMFFHIMJTAW-MUGJNUQGSA-N 2 1 313.489 2.771 20 0 DFADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423244030 296396277 /nfs/dbraw/zinc/39/62/77/296396277.db2.gz XCAOAFYLXNLVKG-GUDVDZBRSA-N 2 1 301.478 2.629 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000629387822 399589751 /nfs/dbraw/zinc/58/97/51/399589751.db2.gz GBFDPBVQMKSKAL-XGXHKWSGSA-N 2 1 301.478 2.770 20 0 DFADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423246910 296396619 /nfs/dbraw/zinc/39/66/19/296396619.db2.gz ZXFLLLWFFDFQCI-JTQLQIEISA-N 2 1 303.219 2.718 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156942940 197152182 /nfs/dbraw/zinc/15/21/82/197152182.db2.gz HDVCFTCWGBJLKN-OFQRWUPVSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156942940 197152183 /nfs/dbraw/zinc/15/21/83/197152183.db2.gz HDVCFTCWGBJLKN-OFQRWUPVSA-N 2 1 317.433 2.777 20 0 DFADMP [NH3+]C[C@H](NC1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000423263809 296398120 /nfs/dbraw/zinc/39/81/20/296398120.db2.gz OZXNPVCTKOBKDO-IBGZPJMESA-N 2 1 316.493 2.543 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423262804 296398247 /nfs/dbraw/zinc/39/82/47/296398247.db2.gz NMBDSDMIFOOKJR-DYVFJYSZSA-N 2 1 318.465 2.995 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423271872 296399104 /nfs/dbraw/zinc/39/91/04/296399104.db2.gz HQBXARULTFUHMF-XPTSAGLGSA-N 2 1 315.230 2.846 20 0 DFADMP CC(C)C[C@H](C[NH3+])N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423271571 296399282 /nfs/dbraw/zinc/39/92/82/296399282.db2.gz YACNVWXVPXISIF-YTQUADARSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423265995 296398556 /nfs/dbraw/zinc/39/85/56/296398556.db2.gz RLLCAZNWVQTEFN-XAUUPUKJSA-N 2 1 315.461 2.782 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC[C@H]([NH+]3CCCC3)CC2)s1 ZINC000347852727 285208487 /nfs/dbraw/zinc/20/84/87/285208487.db2.gz JZZYCFLHKHMXIM-HNNXBMFYSA-N 2 1 322.522 2.655 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423299199 296401930 /nfs/dbraw/zinc/40/19/30/296401930.db2.gz PQMSLWCEVIBZBZ-INIZCTEOSA-N 2 1 323.440 2.664 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000347860771 285213684 /nfs/dbraw/zinc/21/36/84/285213684.db2.gz JZKIQNRGSZKIHQ-GOSISDBHSA-N 2 1 320.477 2.942 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1Br ZINC000423316703 296403817 /nfs/dbraw/zinc/40/38/17/296403817.db2.gz JZHJMYDORJOLCB-TVQRCGJNSA-N 2 1 313.239 2.846 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1)[C@@H]1CCOC1 ZINC000423326684 296404820 /nfs/dbraw/zinc/40/48/20/296404820.db2.gz JOIPFVMVKFYETK-XGXHKWSGSA-N 2 1 318.461 2.545 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347883028 285223418 /nfs/dbraw/zinc/22/34/18/285223418.db2.gz QCHAKGAJGYMCAU-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347883028 285223422 /nfs/dbraw/zinc/22/34/22/285223422.db2.gz QCHAKGAJGYMCAU-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347883028 285223426 /nfs/dbraw/zinc/22/34/26/285223426.db2.gz QCHAKGAJGYMCAU-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347883028 285223430 /nfs/dbraw/zinc/22/34/30/285223430.db2.gz QCHAKGAJGYMCAU-HNNXBMFYSA-N 2 1 306.450 2.786 20 0 DFADMP C[C@@H]1C[C@@H](C[NH2+]CC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000120356140 195149936 /nfs/dbraw/zinc/14/99/36/195149936.db2.gz IBYUHPCGALODIJ-APWZRJJASA-N 2 1 300.446 2.833 20 0 DFADMP OC(C[NH+]1CCC[C@@H]2CCC[C@H]21)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181800992 285231974 /nfs/dbraw/zinc/23/19/74/285231974.db2.gz UKVPWJUNWRTQRK-IAFBMDFESA-N 2 1 306.494 2.876 20 0 DFADMP OC(C[NH+]1CCC[C@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000181800992 285231978 /nfs/dbraw/zinc/23/19/78/285231978.db2.gz UKVPWJUNWRTQRK-IAFBMDFESA-N 2 1 306.494 2.876 20 0 DFADMP OC(C[NH+]1CCC[C@H]2CCC[C@@H]21)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000181800992 285231981 /nfs/dbraw/zinc/23/19/81/285231981.db2.gz UKVPWJUNWRTQRK-IAFBMDFESA-N 2 1 306.494 2.876 20 0 DFADMP COC1CCC([NH2+][C@@H]2C[NH2+]CC[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000423372635 296410002 /nfs/dbraw/zinc/41/00/02/296410002.db2.gz RGUQAZQYIZLLGA-ZUBZBLCWSA-N 2 1 324.415 2.958 20 0 DFADMP COc1cc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]2)cc(OC)c1OC ZINC000423378704 296410537 /nfs/dbraw/zinc/41/05/37/296410537.db2.gz ZNPZRJRQNSUKKY-GXTWGEPZSA-N 2 1 308.422 2.505 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@H](C)C1 ZINC000357221103 285246764 /nfs/dbraw/zinc/24/67/64/285246764.db2.gz QMJFTFXXQSTSFO-RCCFBDPRSA-N 2 1 323.525 2.687 20 0 DFADMP Brc1ccc2c(c1)CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424154 296415660 /nfs/dbraw/zinc/41/56/60/296415660.db2.gz FJXRERKAKRGWDV-BARDWOONSA-N 2 1 307.235 2.634 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(OC)c1 ZINC000423464077 296418510 /nfs/dbraw/zinc/41/85/10/296418510.db2.gz BCPDUKOMHYUNIM-VXGBXAGGSA-N 2 1 314.376 2.599 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)[C@H](C)[C@H]1OC ZINC000423475411 296419753 /nfs/dbraw/zinc/41/97/53/296419753.db2.gz KJFFYGFQMRXYTB-IGQOVBAYSA-N 2 1 304.425 2.661 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)ccc1F ZINC000423475355 296419756 /nfs/dbraw/zinc/41/97/56/296419756.db2.gz KETUSAZEFJIZMG-ZYHUDNBSSA-N 2 1 302.340 2.730 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423484726 296421111 /nfs/dbraw/zinc/42/11/11/296421111.db2.gz AIUJTWAVXSFULZ-BPQIPLTHSA-N 2 1 321.896 2.859 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCCS2 ZINC000423489448 296421289 /nfs/dbraw/zinc/42/12/89/296421289.db2.gz FZUQRTLAMWWHOF-ZBFHGGJFSA-N 2 1 322.474 2.590 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1Cl ZINC000423489152 296421298 /nfs/dbraw/zinc/42/12/98/296421298.db2.gz WQOMFSVUEMMIDA-KOLCDFICSA-N 2 1 319.783 2.639 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(F)cn1 ZINC000423491267 296421636 /nfs/dbraw/zinc/42/16/36/296421636.db2.gz ZVLOVGRVCPAJAN-FZMZJTMJSA-N 2 1 301.356 2.752 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccncc2)cc1 ZINC000423504934 296423494 /nfs/dbraw/zinc/42/34/94/296423494.db2.gz GFHPOEVYPOUVLT-KXBFYZLASA-N 2 1 311.429 2.778 20 0 DFADMP COC(=O)C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000347953304 285266954 /nfs/dbraw/zinc/26/69/54/285266954.db2.gz GALXKZIVLGJXDK-SJORKVTESA-N 2 1 310.482 2.962 20 0 DFADMP COc1ccccc1C[C@@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423528558 296426681 /nfs/dbraw/zinc/42/66/81/296426681.db2.gz NNGYFLHVDOKUSF-AYOQOUSVSA-N 2 1 310.441 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(C)C ZINC000361213551 285280655 /nfs/dbraw/zinc/28/06/55/285280655.db2.gz QWLCYTPHUOYVFZ-SJORKVTESA-N 2 1 311.514 2.543 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cncc(F)c1 ZINC000271576956 209026724 /nfs/dbraw/zinc/02/67/24/209026724.db2.gz ZTAVMWMOIDEUNV-DOPJRALCSA-N 2 1 321.440 2.639 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC)C2)o1 ZINC000624263980 399620233 /nfs/dbraw/zinc/62/02/33/399620233.db2.gz PBCCOGRFPBYENU-OAHLLOKOSA-N 2 1 321.465 2.583 20 0 DFADMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c(C)c1 ZINC000289500633 221021900 /nfs/dbraw/zinc/02/19/00/221021900.db2.gz SUYUGMLTVPZYFZ-UHFFFAOYSA-N 2 1 303.494 2.761 20 0 DFADMP CN(CC[N@@H+](C)C/C=C/c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000289525836 221040653 /nfs/dbraw/zinc/04/06/53/221040653.db2.gz VTWIROAUKPUADF-SNAWJCMRSA-N 2 1 319.468 2.797 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000289520862 221036433 /nfs/dbraw/zinc/03/64/33/221036433.db2.gz FYNLJQZKFNXCCH-HOTGVXAUSA-N 2 1 305.809 2.736 20 0 DFADMP Cc1cccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1C ZINC000289552760 221060580 /nfs/dbraw/zinc/06/05/80/221060580.db2.gz XVBGBVKSSCFZIF-UHFFFAOYSA-N 2 1 303.494 2.761 20 0 DFADMP O[C@@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000190916649 285303790 /nfs/dbraw/zinc/30/37/90/285303790.db2.gz UQRPKKHJUQYTDG-QRQLOZEOSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000190916649 285303791 /nfs/dbraw/zinc/30/37/91/285303791.db2.gz UQRPKKHJUQYTDG-QRQLOZEOSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000190916649 285303792 /nfs/dbraw/zinc/30/37/92/285303792.db2.gz UQRPKKHJUQYTDG-QRQLOZEOSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@](C)(O)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348039490 285311314 /nfs/dbraw/zinc/31/13/14/285311314.db2.gz MEOMMUGRVZMOIV-IEZWGBDMSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+]C[C@@](C)(O)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348039492 285311565 /nfs/dbraw/zinc/31/15/65/285311565.db2.gz MEOMMUGRVZMOIV-KVSKMBFKSA-N 2 1 302.462 2.648 20 0 DFADMP CCO[C@H](C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000629519172 399633815 /nfs/dbraw/zinc/63/38/15/399633815.db2.gz QLDCJFBCPRAPOF-RBUKOAKNSA-N 2 1 317.477 2.841 20 0 DFADMP CCO[C@H](C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000629519172 399633819 /nfs/dbraw/zinc/63/38/19/399633819.db2.gz QLDCJFBCPRAPOF-RBUKOAKNSA-N 2 1 317.477 2.841 20 0 DFADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CCS2 ZINC000629520391 399634192 /nfs/dbraw/zinc/63/41/92/399634192.db2.gz KXTCAUHVDIRSGK-HNNXBMFYSA-N 2 1 306.475 2.938 20 0 DFADMP [NH3+]C1(C[NH2+][C@@H](C[C@@H]2CCCO2)c2ccc(F)cc2)CCOCC1 ZINC000629519888 399634222 /nfs/dbraw/zinc/63/42/22/399634222.db2.gz IMRUVGJGBRNCHH-IRXDYDNUSA-N 2 1 322.424 2.533 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000289879927 221288898 /nfs/dbraw/zinc/28/88/98/221288898.db2.gz RZMGAFAWERNIPX-QGZVFWFLSA-N 2 1 318.509 2.756 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000289879927 221288899 /nfs/dbraw/zinc/28/88/99/221288899.db2.gz RZMGAFAWERNIPX-QGZVFWFLSA-N 2 1 318.509 2.756 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000289879924 221289012 /nfs/dbraw/zinc/28/90/12/221289012.db2.gz RZMGAFAWERNIPX-KRWDZBQOSA-N 2 1 318.509 2.756 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000289879924 221289015 /nfs/dbraw/zinc/28/90/15/221289015.db2.gz RZMGAFAWERNIPX-KRWDZBQOSA-N 2 1 318.509 2.756 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc(N2CCCC2)n1 ZINC000289913243 221311434 /nfs/dbraw/zinc/31/14/34/221311434.db2.gz ULWOUUMEPICEKU-QGPMSJSTSA-N 2 1 316.493 2.809 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc(N2CCCC2)n1 ZINC000289913243 221311436 /nfs/dbraw/zinc/31/14/36/221311436.db2.gz ULWOUUMEPICEKU-QGPMSJSTSA-N 2 1 316.493 2.809 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000629528029 399636910 /nfs/dbraw/zinc/63/69/10/399636910.db2.gz NBRJRTIIMRVOCF-BFJAYTPKSA-N 2 1 306.450 2.926 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC000629534886 399639120 /nfs/dbraw/zinc/63/91/20/399639120.db2.gz BQPZQADKEGYXDL-MRRJBJDNSA-N 2 1 324.852 2.764 20 0 DFADMP CC(C)c1ccc([C@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000629544624 399642471 /nfs/dbraw/zinc/64/24/71/399642471.db2.gz GDJSDEIKKDYHDR-KBXCAEBGSA-N 2 1 313.449 2.787 20 0 DFADMP Brc1csc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000624357786 399653407 /nfs/dbraw/zinc/65/34/07/399653407.db2.gz HRKXQGSQPQUWFH-SNVBAGLBSA-N 2 1 312.236 2.812 20 0 DFADMP C[NH+](C)CCC[N@H+](C)CCNc1cnc2cc(Cl)ccc2n1 ZINC000624392307 399661854 /nfs/dbraw/zinc/66/18/54/399661854.db2.gz OKNXJOPEHOQBJT-UHFFFAOYSA-N 2 1 321.856 2.579 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CCNc1cnc2cc(Cl)ccc2n1 ZINC000624392307 399661857 /nfs/dbraw/zinc/66/18/57/399661857.db2.gz OKNXJOPEHOQBJT-UHFFFAOYSA-N 2 1 321.856 2.579 20 0 DFADMP CC(C)C[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000629552343 399644930 /nfs/dbraw/zinc/64/49/30/399644930.db2.gz HVMMXFIQBKOXFO-ZWKOTPCHSA-N 2 1 313.449 2.690 20 0 DFADMP Fc1ccc([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552068 399645406 /nfs/dbraw/zinc/64/54/06/399645406.db2.gz ZPRVYHZYLASUSB-CABCVRRESA-N 2 1 322.399 2.665 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629560478 399648909 /nfs/dbraw/zinc/64/89/09/399648909.db2.gz FBQIORZUNRAJFP-ZFWWWQNUSA-N 2 1 316.367 2.915 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629560478 399648914 /nfs/dbraw/zinc/64/89/14/399648914.db2.gz FBQIORZUNRAJFP-ZFWWWQNUSA-N 2 1 316.367 2.915 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629563741 399651291 /nfs/dbraw/zinc/65/12/91/399651291.db2.gz QNFAWRZAQVGZFX-SOUVJXGZSA-N 2 1 316.367 2.833 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629563741 399651298 /nfs/dbraw/zinc/65/12/98/399651298.db2.gz QNFAWRZAQVGZFX-SOUVJXGZSA-N 2 1 316.367 2.833 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ccccc1Br ZINC000629572193 399652541 /nfs/dbraw/zinc/65/25/41/399652541.db2.gz XPRBDVOYFGJBBY-GFCCVEGCSA-N 2 1 315.255 2.678 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccccc1Br ZINC000629572193 399652543 /nfs/dbraw/zinc/65/25/43/399652543.db2.gz XPRBDVOYFGJBBY-GFCCVEGCSA-N 2 1 315.255 2.678 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629566157 399652601 /nfs/dbraw/zinc/65/26/01/399652601.db2.gz MKGWEZQTLNFYIL-GXTWGEPZSA-N 2 1 302.340 2.525 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629566157 399652603 /nfs/dbraw/zinc/65/26/03/399652603.db2.gz MKGWEZQTLNFYIL-GXTWGEPZSA-N 2 1 302.340 2.525 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(-c2ccc(C)cc2)s1 ZINC000629655460 399677672 /nfs/dbraw/zinc/67/76/72/399677672.db2.gz XDRTVCFBMJTPDW-UHFFFAOYSA-N 2 1 319.474 2.786 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)nc1 ZINC000603122468 399687809 /nfs/dbraw/zinc/68/78/09/399687809.db2.gz WRVSFAAPUNJPJH-UHFFFAOYSA-N 2 1 319.449 2.566 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000629653499 399676113 /nfs/dbraw/zinc/67/61/13/399676113.db2.gz OZJOXNAHCPRUSJ-UHFFFAOYSA-N 2 1 321.248 2.670 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1OC ZINC000629653499 399676116 /nfs/dbraw/zinc/67/61/16/399676116.db2.gz OZJOXNAHCPRUSJ-UHFFFAOYSA-N 2 1 321.248 2.670 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc2cc(OC)ccc2c1 ZINC000629652179 399676304 /nfs/dbraw/zinc/67/63/04/399676304.db2.gz CCDUGORTLSLGFJ-UHFFFAOYSA-N 2 1 302.418 2.516 20 0 DFADMP Cn1ccnc1C[N@@H+](CCc1ccccc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262156555 257256802 /nfs/dbraw/zinc/25/68/02/257256802.db2.gz RYNUWPMGZGANTP-SFHVURJKSA-N 2 1 324.472 2.607 20 0 DFADMP C[NH2+]CCc1cccc(-c2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000629735686 399707396 /nfs/dbraw/zinc/70/73/96/399707396.db2.gz CXJKUFPLERYLPE-UHFFFAOYSA-N 2 1 323.484 2.863 20 0 DFADMP CC(C)[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H](C)O ZINC000093145668 542552868 /nfs/dbraw/zinc/55/28/68/542552868.db2.gz MVAQAVVRKMTKPW-QGZVFWFLSA-N 2 1 320.477 2.752 20 0 DFADMP CC(C)C[C@@H]1COCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093340042 542553964 /nfs/dbraw/zinc/55/39/64/542553964.db2.gz SIZJAGCZDHBCJN-GOSISDBHSA-N 2 1 320.477 2.874 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000348082995 285335796 /nfs/dbraw/zinc/33/57/96/285335796.db2.gz JHVZUXQNYTVIFF-CQSZACIVSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000617504792 399720942 /nfs/dbraw/zinc/72/09/42/399720942.db2.gz KMFQIPWMYOBVNS-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC[C@H](C)C1 ZINC000617504792 399720943 /nfs/dbraw/zinc/72/09/43/399720943.db2.gz KMFQIPWMYOBVNS-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(Cl)ccc2F)CC1 ZINC000119096088 542570751 /nfs/dbraw/zinc/57/07/51/542570751.db2.gz OUDNGOHVTZNPIM-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000249128960 285353601 /nfs/dbraw/zinc/35/36/01/285353601.db2.gz UQRPKKHJUQYTDG-QXAKKESOSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000249128960 285353602 /nfs/dbraw/zinc/35/36/02/285353602.db2.gz UQRPKKHJUQYTDG-QXAKKESOSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000249128960 285353603 /nfs/dbraw/zinc/35/36/03/285353603.db2.gz UQRPKKHJUQYTDG-QXAKKESOSA-N 2 1 306.494 2.876 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@@H](C)C2)CC1 ZINC000052208894 425884123 /nfs/dbraw/zinc/88/41/23/425884123.db2.gz MZIITSWELPZXTK-QGZVFWFLSA-N 2 1 323.525 2.689 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2c[nH]nc2C(C)(C)C)CC1 ZINC000121792344 195347650 /nfs/dbraw/zinc/34/76/50/195347650.db2.gz UXQQBBZJLMNMED-UHFFFAOYSA-N 2 1 315.465 2.895 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnn(C(C)(C)C)c2)CC1 ZINC000121806279 195351830 /nfs/dbraw/zinc/35/18/30/195351830.db2.gz POHKUVOBFKAOJC-UHFFFAOYSA-N 2 1 315.465 2.826 20 0 DFADMP C[C@@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000121913122 195373081 /nfs/dbraw/zinc/37/30/81/195373081.db2.gz YGZBOKXTWWVPAX-XHSDSOJGSA-N 2 1 309.498 2.628 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000052209218 425884146 /nfs/dbraw/zinc/88/41/46/425884146.db2.gz VCBLGOQZEPPEJJ-QGZVFWFLSA-N 2 1 314.514 2.606 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130119 285370075 /nfs/dbraw/zinc/37/00/75/285370075.db2.gz UUOKTRMAAVIWBH-ROUUACIJSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130119 285370079 /nfs/dbraw/zinc/37/00/79/285370079.db2.gz UUOKTRMAAVIWBH-ROUUACIJSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130119 285370084 /nfs/dbraw/zinc/37/00/84/285370084.db2.gz UUOKTRMAAVIWBH-ROUUACIJSA-N 2 1 322.880 2.804 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062350 399741476 /nfs/dbraw/zinc/74/14/76/399741476.db2.gz PIOVLBMTMQSCMD-HOTGVXAUSA-N 2 1 319.493 2.873 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062352 399741133 /nfs/dbraw/zinc/74/11/33/399741133.db2.gz PIOVLBMTMQSCMD-JKSUJKDBSA-N 2 1 319.493 2.873 20 0 DFADMP COCCCOc1cccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292826073 533296392 /nfs/dbraw/zinc/29/63/92/533296392.db2.gz QMQYEFAFMRLEHH-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292826073 533296400 /nfs/dbraw/zinc/29/64/00/533296400.db2.gz QMQYEFAFMRLEHH-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCCOc1cccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292826073 533296405 /nfs/dbraw/zinc/29/64/05/533296405.db2.gz QMQYEFAFMRLEHH-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCCOc1cccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292826073 533296410 /nfs/dbraw/zinc/29/64/10/533296410.db2.gz QMQYEFAFMRLEHH-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cccc(C(N)=O)c2)CC1 ZINC000052209304 425884172 /nfs/dbraw/zinc/88/41/72/425884172.db2.gz PHLVFWLYVCKBKK-UHFFFAOYSA-N 2 1 317.477 2.729 20 0 DFADMP COc1ccc2oc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000292879060 533355380 /nfs/dbraw/zinc/35/53/80/533355380.db2.gz XKBVJSWHLMEEKR-GOSISDBHSA-N 2 1 300.402 2.969 20 0 DFADMP COc1ccc2oc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000292879060 533355384 /nfs/dbraw/zinc/35/53/84/533355384.db2.gz XKBVJSWHLMEEKR-GOSISDBHSA-N 2 1 300.402 2.969 20 0 DFADMP COc1ccc2oc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC000292879060 533355386 /nfs/dbraw/zinc/35/53/86/533355386.db2.gz XKBVJSWHLMEEKR-GOSISDBHSA-N 2 1 300.402 2.969 20 0 DFADMP COc1ccc2oc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC000292879060 533355389 /nfs/dbraw/zinc/35/53/89/533355389.db2.gz XKBVJSWHLMEEKR-GOSISDBHSA-N 2 1 300.402 2.969 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2cncnc2)CC[N@H+]1Cc1ccccc1 ZINC000124054764 542596185 /nfs/dbraw/zinc/59/61/85/542596185.db2.gz NXUACOVWZWKTGW-APWZRJJASA-N 2 1 310.445 2.962 20 0 DFADMP OC(C[NH+]1CCCC2(CC2)CC1)C[N@H+]1CCCC2(CC2)CC1 ZINC000626114744 399759007 /nfs/dbraw/zinc/75/90/07/399759007.db2.gz QVFNTCDDWRYRLB-UHFFFAOYSA-N 2 1 306.494 2.880 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)C1CCC1 ZINC000629948652 399764532 /nfs/dbraw/zinc/76/45/32/399764532.db2.gz KVWCGAQOTIBCOC-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C[N@H+](C)C1CCC1 ZINC000629948652 399764535 /nfs/dbraw/zinc/76/45/35/399764535.db2.gz KVWCGAQOTIBCOC-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629948652 399764540 /nfs/dbraw/zinc/76/45/40/399764540.db2.gz KVWCGAQOTIBCOC-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP C[N@@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000629958932 399769010 /nfs/dbraw/zinc/76/90/10/399769010.db2.gz XSHCILDECUCPAO-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000629985227 399781973 /nfs/dbraw/zinc/78/19/73/399781973.db2.gz VFJZHZZAPRLERH-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCCCC2)CC1 ZINC000052208624 425884197 /nfs/dbraw/zinc/88/41/97/425884197.db2.gz OMULNUMHBSQPFV-UHFFFAOYSA-N 2 1 323.525 2.833 20 0 DFADMP CCc1noc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366646553 131266036 /nfs/dbraw/zinc/26/60/36/131266036.db2.gz WLADVDOYJDAQLB-KSSFIOAISA-N 2 1 303.450 2.994 20 0 DFADMP CCc1noc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000366646553 131266038 /nfs/dbraw/zinc/26/60/38/131266038.db2.gz WLADVDOYJDAQLB-KSSFIOAISA-N 2 1 303.450 2.994 20 0 DFADMP CCc1noc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000366646553 131266039 /nfs/dbraw/zinc/26/60/39/131266039.db2.gz WLADVDOYJDAQLB-KSSFIOAISA-N 2 1 303.450 2.994 20 0 DFADMP CCc1noc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000366646553 131266041 /nfs/dbraw/zinc/26/60/41/131266041.db2.gz WLADVDOYJDAQLB-KSSFIOAISA-N 2 1 303.450 2.994 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH2+]C)CCC2)cc1)C(C)C ZINC000630000672 399788035 /nfs/dbraw/zinc/78/80/35/399788035.db2.gz ORVBCQUHPSXWCX-UHFFFAOYSA-N 2 1 317.477 2.789 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000161651659 542731892 /nfs/dbraw/zinc/73/18/92/542731892.db2.gz WFNISPQJNPHNNJ-YXJHDRRASA-N 2 1 311.433 2.545 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000166272855 542750662 /nfs/dbraw/zinc/75/06/62/542750662.db2.gz ATKHWVGTAWTYKW-XMTFNYHQSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166272855 542750665 /nfs/dbraw/zinc/75/06/65/542750665.db2.gz ATKHWVGTAWTYKW-XMTFNYHQSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000166272855 542750669 /nfs/dbraw/zinc/75/06/69/542750669.db2.gz ATKHWVGTAWTYKW-XMTFNYHQSA-N 2 1 307.526 2.959 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]2CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166614343 542751314 /nfs/dbraw/zinc/75/13/14/542751314.db2.gz YUTWNLHHIUMKSL-VAMGGRTRSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000166614343 542751329 /nfs/dbraw/zinc/75/13/29/542751329.db2.gz YUTWNLHHIUMKSL-VAMGGRTRSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166614343 542751334 /nfs/dbraw/zinc/75/13/34/542751334.db2.gz YUTWNLHHIUMKSL-VAMGGRTRSA-N 2 1 313.489 2.867 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000166379052 542751809 /nfs/dbraw/zinc/75/18/09/542751809.db2.gz XQDDZUUQCGYJLC-QRVBRYPASA-N 2 1 301.478 2.814 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000166379052 542751811 /nfs/dbraw/zinc/75/18/11/542751811.db2.gz XQDDZUUQCGYJLC-QRVBRYPASA-N 2 1 301.478 2.814 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000166379052 542751815 /nfs/dbraw/zinc/75/18/15/542751815.db2.gz XQDDZUUQCGYJLC-QRVBRYPASA-N 2 1 301.478 2.814 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000166348471 542752103 /nfs/dbraw/zinc/75/21/03/542752103.db2.gz WKAFWRKEDBBEJF-NSISKUIASA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000166348471 542752107 /nfs/dbraw/zinc/75/21/07/542752107.db2.gz WKAFWRKEDBBEJF-NSISKUIASA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000166348471 542752113 /nfs/dbraw/zinc/75/21/13/542752113.db2.gz WKAFWRKEDBBEJF-NSISKUIASA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000166348471 542752119 /nfs/dbraw/zinc/75/21/19/542752119.db2.gz WKAFWRKEDBBEJF-NSISKUIASA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000166348471 542752123 /nfs/dbraw/zinc/75/21/23/542752123.db2.gz WKAFWRKEDBBEJF-NSISKUIASA-N 2 1 313.489 2.650 20 0 DFADMP COCCOc1cc(C)ccc1CN[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166820025 542752960 /nfs/dbraw/zinc/75/29/60/542752960.db2.gz QDSUIBNKQLDWAY-ZWKOTPCHSA-N 2 1 318.461 2.737 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166820025 542752964 /nfs/dbraw/zinc/75/29/64/542752964.db2.gz QDSUIBNKQLDWAY-ZWKOTPCHSA-N 2 1 318.461 2.737 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166820025 542752966 /nfs/dbraw/zinc/75/29/66/542752966.db2.gz QDSUIBNKQLDWAY-ZWKOTPCHSA-N 2 1 318.461 2.737 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000167541159 542753292 /nfs/dbraw/zinc/75/32/92/542753292.db2.gz LWFQCDFMOTZHNJ-SJLPKXTDSA-N 2 1 317.477 2.544 20 0 DFADMP COC(=O)CC1CC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000424255386 296495849 /nfs/dbraw/zinc/49/58/49/296495849.db2.gz HPINJJUCASSLQC-UHFFFAOYSA-N 2 1 316.445 2.582 20 0 DFADMP c1nc2ccccn2c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924602 542854623 /nfs/dbraw/zinc/85/46/23/542854623.db2.gz SAYJZYSZGDMNGK-GOSISDBHSA-N 2 1 320.440 2.946 20 0 DFADMP CCOC(=O)CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000197950960 542866082 /nfs/dbraw/zinc/86/60/82/542866082.db2.gz BKEILOGXXPUDMG-UHFFFAOYSA-N 2 1 316.445 2.538 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCCO3)CC2)cc1 ZINC000236604876 542895592 /nfs/dbraw/zinc/89/55/92/542895592.db2.gz VCIXHGXIHRTWMB-LJQANCHMSA-N 2 1 302.462 2.852 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236848600 542898445 /nfs/dbraw/zinc/89/84/45/542898445.db2.gz YIRSGLTVQPZIJL-FGTMMUONSA-N 2 1 315.461 2.552 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1Cc1ccccc1 ZINC000268862113 542960742 /nfs/dbraw/zinc/96/07/42/542960742.db2.gz DQBAQKQAYTTXHY-SJQORLFUSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1Cc1ccccc1 ZINC000268862113 542960747 /nfs/dbraw/zinc/96/07/47/542960747.db2.gz DQBAQKQAYTTXHY-SJQORLFUSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444796 542982319 /nfs/dbraw/zinc/98/23/19/542982319.db2.gz HUYOHVUEWMIQKR-KSSFIOAISA-N 2 1 306.425 2.904 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444796 542982321 /nfs/dbraw/zinc/98/23/21/542982321.db2.gz HUYOHVUEWMIQKR-KSSFIOAISA-N 2 1 306.425 2.904 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]Cc2cscc2Br)CC1 ZINC000286028867 542999404 /nfs/dbraw/zinc/99/94/04/542999404.db2.gz QGRZQIZAWJEGFT-UHFFFAOYSA-N 2 1 301.253 2.862 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cscc2Br)CC1 ZINC000286028867 542999407 /nfs/dbraw/zinc/99/94/07/542999407.db2.gz QGRZQIZAWJEGFT-UHFFFAOYSA-N 2 1 301.253 2.862 20 0 DFADMP Cn1cncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289780838 543009643 /nfs/dbraw/zinc/00/96/43/543009643.db2.gz MQOINRZHQGHIPV-BCDXTJNWSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cncc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289780838 543009647 /nfs/dbraw/zinc/00/96/47/543009647.db2.gz MQOINRZHQGHIPV-BCDXTJNWSA-N 2 1 310.445 2.705 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000295087452 543029789 /nfs/dbraw/zinc/02/97/89/543029789.db2.gz RTWQOPSIRVKHCF-OALUTQOASA-N 2 1 304.478 2.908 20 0 DFADMP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000298569819 543042767 /nfs/dbraw/zinc/04/27/67/543042767.db2.gz WXPUXRVQQPVMNA-IBGZPJMESA-N 2 1 314.477 2.709 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764604 543066060 /nfs/dbraw/zinc/06/60/60/543066060.db2.gz ZCUMFVGJELSVMO-OALUTQOASA-N 2 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764604 543066062 /nfs/dbraw/zinc/06/60/62/543066062.db2.gz ZCUMFVGJELSVMO-OALUTQOASA-N 3 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764604 543066065 /nfs/dbraw/zinc/06/60/65/543066065.db2.gz ZCUMFVGJELSVMO-OALUTQOASA-N 3 1 301.478 2.630 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)s1 ZINC000305772482 543061279 /nfs/dbraw/zinc/06/12/79/543061279.db2.gz TYJKVPGEBADKPJ-APHBMKBZSA-N 2 1 323.506 2.870 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCCC1 ZINC000305881537 543063297 /nfs/dbraw/zinc/06/32/97/543063297.db2.gz VHBHUKFDBPXINI-IPMKNSEASA-N 2 1 314.473 2.792 20 0 DFADMP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCc2ccccc2C1 ZINC000320174270 543081169 /nfs/dbraw/zinc/08/11/69/543081169.db2.gz NFAVWPMSZCTUHI-CQSZACIVSA-N 2 1 309.413 2.531 20 0 DFADMP C[C@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCc2ccccc2C1 ZINC000320174270 543081172 /nfs/dbraw/zinc/08/11/72/543081172.db2.gz NFAVWPMSZCTUHI-CQSZACIVSA-N 2 1 309.413 2.531 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc(F)c1 ZINC000321266030 543085292 /nfs/dbraw/zinc/08/52/92/543085292.db2.gz GNKCKVZIOXPIEK-RHSMWYFYSA-N 2 1 319.424 2.618 20 0 DFADMP Oc1ccc(Cl)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000625082741 399842407 /nfs/dbraw/zinc/84/24/07/399842407.db2.gz CVAMXLKAFAMRMP-UHFFFAOYSA-N 2 1 324.852 2.590 20 0 DFADMP C[C@@H](CCc1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388511 399843462 /nfs/dbraw/zinc/84/34/62/399843462.db2.gz HYEHFSULIOJPIM-AZUAARDMSA-N 2 1 315.505 2.720 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000328264105 543096220 /nfs/dbraw/zinc/09/62/20/543096220.db2.gz NUVIVHHSGYSDOX-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000328264105 543096222 /nfs/dbraw/zinc/09/62/22/543096222.db2.gz NUVIVHHSGYSDOX-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000328264105 543096225 /nfs/dbraw/zinc/09/62/25/543096225.db2.gz NUVIVHHSGYSDOX-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CCCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000328264105 543096228 /nfs/dbraw/zinc/09/62/28/543096228.db2.gz NUVIVHHSGYSDOX-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CCCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000328264105 543096233 /nfs/dbraw/zinc/09/62/33/543096233.db2.gz NUVIVHHSGYSDOX-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000339272325 543142943 /nfs/dbraw/zinc/14/29/43/543142943.db2.gz FRBKUMPXOUNRMH-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000339278973 543143395 /nfs/dbraw/zinc/14/33/95/543143395.db2.gz NNXQBEONPVUICP-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339070126 543139830 /nfs/dbraw/zinc/13/98/30/543139830.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339070126 543139831 /nfs/dbraw/zinc/13/98/31/543139831.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339070126 543139834 /nfs/dbraw/zinc/13/98/34/543139834.db2.gz WTTRSYMNFNJTRC-ZSYWTGECSA-N 3 1 307.526 2.961 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@@H](CNc2cc(C)ccn2)C1)C1CC1 ZINC000625156098 399855150 /nfs/dbraw/zinc/85/51/50/399855150.db2.gz UXGICYBQPHFWMW-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@H](C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000625156098 399855154 /nfs/dbraw/zinc/85/51/54/399855154.db2.gz UXGICYBQPHFWMW-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000625156098 399855158 /nfs/dbraw/zinc/85/51/58/399855158.db2.gz UXGICYBQPHFWMW-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000339244663 543142105 /nfs/dbraw/zinc/14/21/05/543142105.db2.gz ALYUCHPKGPSZQE-OAHLLOKOSA-N 2 1 303.450 2.951 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352241163 543228506 /nfs/dbraw/zinc/22/85/06/543228506.db2.gz LEEDOXARLVEKCJ-IPMKNSEASA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352241163 543228508 /nfs/dbraw/zinc/22/85/08/543228508.db2.gz LEEDOXARLVEKCJ-IPMKNSEASA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352241163 543228511 /nfs/dbraw/zinc/22/85/11/543228511.db2.gz LEEDOXARLVEKCJ-IPMKNSEASA-N 2 1 302.462 2.569 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000353676223 543237828 /nfs/dbraw/zinc/23/78/28/543237828.db2.gz WCGTVOYODJAQSU-FHWLQOOXSA-N 2 1 302.462 2.777 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)CC2 ZINC000353687561 543238786 /nfs/dbraw/zinc/23/87/86/543238786.db2.gz MCTJIKMSXXBSAX-TVFCKZIOSA-N 2 1 316.493 2.784 20 0 DFADMP CC(C)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000354332728 543243020 /nfs/dbraw/zinc/24/30/20/543243020.db2.gz VODVDPQZXURZTC-AEFFLSMTSA-N 2 1 323.525 2.734 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000358758337 543269067 /nfs/dbraw/zinc/26/90/67/543269067.db2.gz SELUSGCKKRCWIK-JGGQBBKZSA-N 2 1 304.434 2.763 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000358758337 543269069 /nfs/dbraw/zinc/26/90/69/543269069.db2.gz SELUSGCKKRCWIK-JGGQBBKZSA-N 2 1 304.434 2.763 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC000358758335 543269095 /nfs/dbraw/zinc/26/90/95/543269095.db2.gz SELUSGCKKRCWIK-DUVNUKRYSA-N 2 1 304.434 2.763 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CC2 ZINC000358758335 543269098 /nfs/dbraw/zinc/26/90/98/543269098.db2.gz SELUSGCKKRCWIK-DUVNUKRYSA-N 2 1 304.434 2.763 20 0 DFADMP CC(C)(C[NH2+]Cc1cnn(CC(F)(F)F)c1)C[NH+]1CCCC1 ZINC000360154460 543276470 /nfs/dbraw/zinc/27/64/70/543276470.db2.gz SFPTZKLVXMAJDD-UHFFFAOYSA-N 2 1 318.387 2.657 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000379629323 543297346 /nfs/dbraw/zinc/29/73/46/543297346.db2.gz OSWMFUCJLZEVBX-CEXWTWQISA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000379629323 543297348 /nfs/dbraw/zinc/29/73/48/543297348.db2.gz OSWMFUCJLZEVBX-CEXWTWQISA-N 2 1 301.478 2.901 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000380907736 543297568 /nfs/dbraw/zinc/29/75/68/543297568.db2.gz IDWQLYDOQNFQMC-FUHWJXTLSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000380907736 543297569 /nfs/dbraw/zinc/29/75/69/543297569.db2.gz IDWQLYDOQNFQMC-FUHWJXTLSA-N 2 1 312.461 2.983 20 0 DFADMP O[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000378881131 543296840 /nfs/dbraw/zinc/29/68/40/543296840.db2.gz GVBDJWROHNUQPF-MOPGFXCFSA-N 2 1 302.462 2.587 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000398030429 543310784 /nfs/dbraw/zinc/31/07/84/543310784.db2.gz NEGYMYDQEUEEPH-GDAAHCPNSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000398030429 543310787 /nfs/dbraw/zinc/31/07/87/543310787.db2.gz NEGYMYDQEUEEPH-GDAAHCPNSA-N 2 1 302.462 2.790 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc(C[NH3+])cc1 ZINC000166370647 145234730 /nfs/dbraw/zinc/23/47/30/145234730.db2.gz RAMNVYHLFHITGP-QGZVFWFLSA-N 2 1 303.450 2.530 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000167239042 145239489 /nfs/dbraw/zinc/23/94/89/145239489.db2.gz GYSOQPAECOEYPX-WMZOPIPTSA-N 2 1 320.477 2.840 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167239042 145239494 /nfs/dbraw/zinc/23/94/94/145239494.db2.gz GYSOQPAECOEYPX-WMZOPIPTSA-N 2 1 320.477 2.840 20 0 DFADMP CCOc1cc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000168811958 145243807 /nfs/dbraw/zinc/24/38/07/145243807.db2.gz FGICBCFJOOMQPK-LZWOXQAQSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000168811958 145243813 /nfs/dbraw/zinc/24/38/13/145243813.db2.gz FGICBCFJOOMQPK-LZWOXQAQSA-N 2 1 306.450 2.912 20 0 DFADMP [NH3+]CC[C@@H]1CCCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630514082 399897055 /nfs/dbraw/zinc/89/70/55/399897055.db2.gz UUBAVQQJQIRROQ-HNNXBMFYSA-N 2 1 323.444 2.562 20 0 DFADMP [NH3+]C[C@H]1CC[C@@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630513870 399897198 /nfs/dbraw/zinc/89/71/98/399897198.db2.gz FSAADFMQEKHLOJ-XJKSGUPXSA-N 2 1 309.417 2.536 20 0 DFADMP [NH3+]CCCOCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000630537156 399899797 /nfs/dbraw/zinc/89/97/97/399899797.db2.gz IUSKYRYOEDYGOQ-UHFFFAOYSA-N 2 1 324.222 2.775 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631035200 399966221 /nfs/dbraw/zinc/96/62/21/399966221.db2.gz KRNAXRCCMGMTQL-HNNXBMFYSA-N 2 1 304.482 2.653 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631035200 399966222 /nfs/dbraw/zinc/96/62/22/399966222.db2.gz KRNAXRCCMGMTQL-HNNXBMFYSA-N 2 1 304.482 2.653 20 0 DFADMP COCCc1ncc(C[NH2+]CC2(C[NH+](C)C)CCCC2)s1 ZINC000631113015 399983038 /nfs/dbraw/zinc/98/30/38/399983038.db2.gz SYVHJWCHNFUITR-UHFFFAOYSA-N 2 1 311.495 2.544 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccccc3OC)CC2)C1 ZINC000631044822 399968174 /nfs/dbraw/zinc/96/81/74/399968174.db2.gz OJSAPXCVRIZRMK-INIZCTEOSA-N 2 1 317.477 2.595 20 0 DFADMP COc1ccccc1N1CCC([NH2+]C[C@H](C2CC2)[NH+](C)C)CC1 ZINC000631047260 399968737 /nfs/dbraw/zinc/96/87/37/399968737.db2.gz RDTHOINACMXFKK-GOSISDBHSA-N 2 1 317.477 2.594 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631082862 399977008 /nfs/dbraw/zinc/97/70/08/399977008.db2.gz IQGYBSMQQZBVRL-QAPCUYQASA-N 2 1 311.429 2.787 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@H](C)C2)CC[N@H+]1C ZINC000630749392 399924438 /nfs/dbraw/zinc/92/44/38/399924438.db2.gz GTVAYJABMQZTMV-XWTMOSNGSA-N 2 1 323.525 2.591 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1C ZINC000630749392 399924440 /nfs/dbraw/zinc/92/44/40/399924440.db2.gz GTVAYJABMQZTMV-XWTMOSNGSA-N 2 1 323.525 2.591 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NCCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC[NH+]1C ZINC000630749392 399924442 /nfs/dbraw/zinc/92/44/42/399924442.db2.gz GTVAYJABMQZTMV-XWTMOSNGSA-N 2 1 323.525 2.591 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccnn2C(C)C)CC1 ZINC000628454606 400032611 /nfs/dbraw/zinc/03/26/11/400032611.db2.gz OSHAMRGGTVMDIK-SJLPKXTDSA-N 2 1 320.481 2.758 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000631194816 400000377 /nfs/dbraw/zinc/00/03/77/400000377.db2.gz PPXJYVQATKMFPV-FUHWJXTLSA-N 2 1 324.472 2.687 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000631194816 400000378 /nfs/dbraw/zinc/00/03/78/400000378.db2.gz PPXJYVQATKMFPV-FUHWJXTLSA-N 2 1 324.472 2.687 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195263 400001040 /nfs/dbraw/zinc/00/10/40/400001040.db2.gz DIBJODLSRCWCJJ-AEFFLSMTSA-N 2 1 312.461 2.586 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195263 400001043 /nfs/dbraw/zinc/00/10/43/400001043.db2.gz DIBJODLSRCWCJJ-AEFFLSMTSA-N 2 1 312.461 2.586 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194924 400001048 /nfs/dbraw/zinc/00/10/48/400001048.db2.gz SEWRAECUKMDJPX-MAUKXSAKSA-N 2 1 311.429 2.645 20 0 DFADMP Cc1ccc([C@@H](C)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000628217297 400003574 /nfs/dbraw/zinc/00/35/74/400003574.db2.gz ROTHRRWALQOLBN-PKOBYXMFSA-N 2 1 304.478 2.925 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@@]2(C)CCCS2)CC1 ZINC000628227908 400004348 /nfs/dbraw/zinc/00/43/48/400004348.db2.gz XHBSMLMTSQKLEL-MRXNPFEDSA-N 2 1 300.512 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570722 400052735 /nfs/dbraw/zinc/05/27/35/400052735.db2.gz XSZBEFRDTVRZPI-GOEBONIOSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000631579236 400054109 /nfs/dbraw/zinc/05/41/09/400054109.db2.gz DULLIGRWSQWQAP-JXFKEZNVSA-N 2 1 312.457 2.797 20 0 DFADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000631582194 400054642 /nfs/dbraw/zinc/05/46/42/400054642.db2.gz YRCLAGFNIDQJBN-APWZRJJASA-N 2 1 318.461 2.509 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3ncccc32)C[C@H](C)O1 ZINC000631596972 400056802 /nfs/dbraw/zinc/05/68/02/400056802.db2.gz ORTBXMQCLHMKTC-JZXOWHBKSA-N 2 1 317.477 2.938 20 0 DFADMP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631647245 400061583 /nfs/dbraw/zinc/06/15/83/400061583.db2.gz GBFCVNKMYJCEPZ-FJIDUMEYSA-N 2 1 304.478 2.656 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC1 ZINC000631660895 400063309 /nfs/dbraw/zinc/06/33/09/400063309.db2.gz GWXDESKNWCDNRE-MRXNPFEDSA-N 2 1 314.832 2.977 20 0 DFADMP O[C@@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000631697967 400067673 /nfs/dbraw/zinc/06/76/73/400067673.db2.gz AHAPRMJFAFGWRN-NXOAAHMSSA-N 2 1 324.415 2.788 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@H](O)C(F)(F)F ZINC000631718273 400069755 /nfs/dbraw/zinc/06/97/55/400069755.db2.gz INTKSSGIBNCVCB-DHMWGJHJSA-N 2 1 322.415 2.931 20 0 DFADMP CC(C)[C@H]1CN(C2CC[NH+](CCC(F)(F)F)CC2)CC[N@H+]1C ZINC000631793936 400075910 /nfs/dbraw/zinc/07/59/10/400075910.db2.gz POOVQNOOCIXKCP-OAHLLOKOSA-N 2 1 321.431 2.675 20 0 DFADMP c1csc(C[N@@H+](C[C@@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000631824572 400077786 /nfs/dbraw/zinc/07/77/86/400077786.db2.gz KHGIUVVKXWJAEB-GJZGRUSLSA-N 2 1 321.490 2.656 20 0 DFADMP c1csc(C[N@H+](C[C@@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000631824572 400077787 /nfs/dbraw/zinc/07/77/87/400077787.db2.gz KHGIUVVKXWJAEB-GJZGRUSLSA-N 2 1 321.490 2.656 20 0 DFADMP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)co2)c1 ZINC000631822543 400077856 /nfs/dbraw/zinc/07/78/56/400077856.db2.gz HQNAKBIMVLAEPM-STQMWFEESA-N 2 1 301.390 2.519 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)co2)c1 ZINC000631822543 400077857 /nfs/dbraw/zinc/07/78/57/400077857.db2.gz HQNAKBIMVLAEPM-STQMWFEESA-N 2 1 301.390 2.519 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826726 400077952 /nfs/dbraw/zinc/07/79/52/400077952.db2.gz WAINCLOECXDLPK-CABCVRRESA-N 2 1 304.438 2.549 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000631826726 400077953 /nfs/dbraw/zinc/07/79/53/400077953.db2.gz WAINCLOECXDLPK-CABCVRRESA-N 2 1 304.438 2.549 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(C)n1 ZINC000631829553 400078118 /nfs/dbraw/zinc/07/81/18/400078118.db2.gz UBAHQPOUWMFEOO-YQVWRLOYSA-N 2 1 317.477 2.725 20 0 DFADMP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827665 400078126 /nfs/dbraw/zinc/07/81/26/400078126.db2.gz UFGVPWYRPBLJQC-KXBFYZLASA-N 2 1 300.446 2.723 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3c1CCOC3)CC[NH2+]CC2 ZINC000631829491 400078214 /nfs/dbraw/zinc/07/82/14/400078214.db2.gz RQFSWVBOWFCZER-HNNXBMFYSA-N 2 1 300.446 2.723 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC[C@H]1C(F)(F)F ZINC000631830110 400078278 /nfs/dbraw/zinc/07/82/78/400078278.db2.gz KDOMFJATXNUPGQ-HBNTYKKESA-N 2 1 300.315 2.881 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CCC(F)(F)C2)C1 ZINC000631829777 400078342 /nfs/dbraw/zinc/07/83/42/400078342.db2.gz ZJUQXFJFJVPOBY-XGUBFFRZSA-N 2 1 302.409 2.783 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833372 400078432 /nfs/dbraw/zinc/07/84/32/400078432.db2.gz YORCSWTWCOAQKP-AWEZNQCLSA-N 2 1 321.490 2.940 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833372 400078433 /nfs/dbraw/zinc/07/84/33/400078433.db2.gz YORCSWTWCOAQKP-AWEZNQCLSA-N 2 1 321.490 2.940 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833955 400078532 /nfs/dbraw/zinc/07/85/32/400078532.db2.gz MHQAGBOKAYQEFV-AWEZNQCLSA-N 2 1 307.413 2.666 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCCC[C@H]([NH3+])C1 ZINC000631833955 400078533 /nfs/dbraw/zinc/07/85/33/400078533.db2.gz MHQAGBOKAYQEFV-AWEZNQCLSA-N 2 1 307.413 2.666 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@@H+]1CCCCn1cc[nH+]c1C ZINC000245565558 146083210 /nfs/dbraw/zinc/08/32/10/146083210.db2.gz DRCZBPWKFOCWME-BBWFWOEESA-N 2 1 319.449 2.778 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[N@H+]1CCCCn1cc[nH+]c1C ZINC000245565558 146083213 /nfs/dbraw/zinc/08/32/13/146083213.db2.gz DRCZBPWKFOCWME-BBWFWOEESA-N 2 1 319.449 2.778 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603236 146086985 /nfs/dbraw/zinc/08/69/85/146086985.db2.gz GPWJAMYXZMDWQH-QZTJIDSGSA-N 2 1 316.445 2.536 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603236 146086986 /nfs/dbraw/zinc/08/69/86/146086986.db2.gz GPWJAMYXZMDWQH-QZTJIDSGSA-N 2 1 316.445 2.536 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603236 146086989 /nfs/dbraw/zinc/08/69/89/146086989.db2.gz GPWJAMYXZMDWQH-QZTJIDSGSA-N 2 1 316.445 2.536 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000245657589 146091337 /nfs/dbraw/zinc/09/13/37/146091337.db2.gz FXXKUNFKFZSSHF-YFHUEUNASA-N 2 1 301.478 2.928 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245731239 146098296 /nfs/dbraw/zinc/09/82/96/146098296.db2.gz QGKRXWPERKMZBT-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245731239 146098299 /nfs/dbraw/zinc/09/82/99/146098299.db2.gz QGKRXWPERKMZBT-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245731239 146098301 /nfs/dbraw/zinc/09/83/01/146098301.db2.gz QGKRXWPERKMZBT-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245731239 146098304 /nfs/dbraw/zinc/09/83/04/146098304.db2.gz QGKRXWPERKMZBT-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245731239 146098307 /nfs/dbraw/zinc/09/83/07/146098307.db2.gz QGKRXWPERKMZBT-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000245892704 146107343 /nfs/dbraw/zinc/10/73/43/146107343.db2.gz CAZRZSJYNOVRAX-QAPCUYQASA-N 2 1 305.441 2.599 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C)c3ccccc32)[C@@H](C)C1 ZINC000245924274 146110628 /nfs/dbraw/zinc/11/06/28/146110628.db2.gz RTWXHBLWFPCEDW-BQFCYCMXSA-N 2 1 301.478 2.930 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000246068684 146117543 /nfs/dbraw/zinc/11/75/43/146117543.db2.gz CRSITJUPAZEJBV-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000246068684 146117546 /nfs/dbraw/zinc/11/75/46/146117546.db2.gz CRSITJUPAZEJBV-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000246225462 146132819 /nfs/dbraw/zinc/13/28/19/146132819.db2.gz DZZCGLXFNMHKNJ-GUYCJALGSA-N 2 1 314.433 2.987 20 0 DFADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000246666187 146148437 /nfs/dbraw/zinc/14/84/37/146148437.db2.gz DXOCHRMEODQJIK-HOTGVXAUSA-N 2 1 304.434 2.633 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000246666187 146148439 /nfs/dbraw/zinc/14/84/39/146148439.db2.gz DXOCHRMEODQJIK-HOTGVXAUSA-N 2 1 304.434 2.633 20 0 DFADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000246666187 146148441 /nfs/dbraw/zinc/14/84/41/146148441.db2.gz DXOCHRMEODQJIK-HOTGVXAUSA-N 2 1 304.434 2.633 20 0 DFADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000246666187 146148442 /nfs/dbraw/zinc/14/84/42/146148442.db2.gz DXOCHRMEODQJIK-HOTGVXAUSA-N 2 1 304.434 2.633 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247003517 146158600 /nfs/dbraw/zinc/15/86/00/146158600.db2.gz KTYQIYGRPGBRJE-YJBOKZPZSA-N 2 1 306.450 2.784 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000247104378 146161471 /nfs/dbraw/zinc/16/14/71/146161471.db2.gz OUZXXSNKXXTTBD-VKJFTORMSA-N 2 1 306.450 2.782 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000247144099 146163461 /nfs/dbraw/zinc/16/34/61/146163461.db2.gz SNZDXKJLJICYNC-HZPDHXFCSA-N 2 1 315.461 2.806 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247137830 146163469 /nfs/dbraw/zinc/16/34/69/146163469.db2.gz QSQMYZLTHZCUTA-LUXYFRNMSA-N 2 1 306.450 2.781 20 0 DFADMP OCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000249045939 146184808 /nfs/dbraw/zinc/18/48/08/146184808.db2.gz VYIUQPGNHWPOJQ-REPLKXPHSA-N 2 1 314.473 2.934 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453235696 543371875 /nfs/dbraw/zinc/37/18/75/543371875.db2.gz AQWKTCSZNLWYAU-XUVXKRRUSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453235696 543371877 /nfs/dbraw/zinc/37/18/77/543371877.db2.gz AQWKTCSZNLWYAU-XUVXKRRUSA-N 2 1 324.472 2.953 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)s1 ZINC000261586246 146243009 /nfs/dbraw/zinc/24/30/09/146243009.db2.gz QXBLHWOFKGDAIR-JTQLQIEISA-N 2 1 303.269 2.988 20 0 DFADMP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000261552507 146239161 /nfs/dbraw/zinc/23/91/61/146239161.db2.gz RNXLMPRIRNDASO-WYRHQLMOSA-N 3 1 313.489 2.757 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545458 146239571 /nfs/dbraw/zinc/23/95/71/146239571.db2.gz KAULMUCOKZAHJD-UHOSZYNNSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545458 146239575 /nfs/dbraw/zinc/23/95/75/146239575.db2.gz KAULMUCOKZAHJD-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545458 146239578 /nfs/dbraw/zinc/23/95/78/146239578.db2.gz KAULMUCOKZAHJD-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000261564370 146240497 /nfs/dbraw/zinc/24/04/97/146240497.db2.gz HHSCCAOVJKZAAF-NJZAAPMLSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000261564370 146240502 /nfs/dbraw/zinc/24/05/02/146240502.db2.gz HHSCCAOVJKZAAF-NJZAAPMLSA-N 2 1 309.251 2.927 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000261559726 146240938 /nfs/dbraw/zinc/24/09/38/146240938.db2.gz ZGXZLSPBKDJYIQ-LJDSDSDDSA-N 3 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000261559726 146240939 /nfs/dbraw/zinc/24/09/39/146240939.db2.gz ZGXZLSPBKDJYIQ-LJDSDSDDSA-N 2 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000261559726 146240940 /nfs/dbraw/zinc/24/09/40/146240940.db2.gz ZGXZLSPBKDJYIQ-LJDSDSDDSA-N 2 1 313.489 2.757 20 0 DFADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261556786 146241562 /nfs/dbraw/zinc/24/15/62/146241562.db2.gz WIJCUNJWJCMWFT-LPHOPBHVSA-N 2 1 301.478 2.771 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261585001 146242560 /nfs/dbraw/zinc/24/25/60/146242560.db2.gz STNAMPVNPLOCMM-YDHLFZDLSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261585001 146242563 /nfs/dbraw/zinc/24/25/63/146242563.db2.gz STNAMPVNPLOCMM-YDHLFZDLSA-N 2 1 309.251 2.927 20 0 DFADMP COc1ccsc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261601724 146244056 /nfs/dbraw/zinc/24/40/56/146244056.db2.gz AGLBAZVHNVHIPZ-CABCVRRESA-N 2 1 302.443 2.931 20 0 DFADMP CCC[N@H+](CCOc1ccccc1C(C)=O)C1CC[NH2+]CC1 ZINC000261611878 146246539 /nfs/dbraw/zinc/24/65/39/146246539.db2.gz DZSIBFCRPAXWHB-UHFFFAOYSA-N 2 1 304.434 2.732 20 0 DFADMP CCC[N@@H+](CCOc1ccccc1C(C)=O)C1CC[NH2+]CC1 ZINC000261611878 146246544 /nfs/dbraw/zinc/24/65/44/146246544.db2.gz DZSIBFCRPAXWHB-UHFFFAOYSA-N 2 1 304.434 2.732 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000261622759 146248154 /nfs/dbraw/zinc/24/81/54/146248154.db2.gz DNMNWKPIMHIIJV-AWEZNQCLSA-N 2 1 302.340 2.798 20 0 DFADMP C[C@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000261643463 146252972 /nfs/dbraw/zinc/25/29/72/146252972.db2.gz DMZNENQRTIXGLJ-SJORKVTESA-N 2 1 323.525 2.783 20 0 DFADMP C[C@H]([NH3+])CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000261721170 146265251 /nfs/dbraw/zinc/26/52/51/146265251.db2.gz FDZBGAZNTIPWDS-HNNXBMFYSA-N 2 1 317.477 2.805 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000261771577 146273191 /nfs/dbraw/zinc/27/31/91/146273191.db2.gz SHMTUUSLJUYUDJ-IBGZPJMESA-N 2 1 311.429 2.831 20 0 DFADMP C[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000261776555 146274335 /nfs/dbraw/zinc/27/43/35/146274335.db2.gz JEIGYNJTGPLMKU-BBRMVZONSA-N 2 1 323.868 2.548 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811305 146279793 /nfs/dbraw/zinc/27/97/93/146279793.db2.gz HQJODULEHMZSCD-HZPDHXFCSA-N 2 1 312.461 2.955 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)s2)cn1 ZINC000261825356 146283154 /nfs/dbraw/zinc/28/31/54/146283154.db2.gz IRBOFPDDHKSCKN-MAZHCROVSA-N 2 1 316.474 2.708 20 0 DFADMP CC[NH+](CC)[C@@H](c1nc(C[C@@H](C)[NH2+]C)no1)c1ccccc1 ZINC000261822414 146283297 /nfs/dbraw/zinc/28/32/97/146283297.db2.gz QONYTQNGBPSVSH-CZUORRHYSA-N 2 1 302.422 2.651 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC(F)F ZINC000261844179 146287277 /nfs/dbraw/zinc/28/72/77/146287277.db2.gz CWNRHNDGLXHAMQ-YPMHNXCESA-N 2 1 314.376 2.856 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000261844386 146287873 /nfs/dbraw/zinc/28/78/73/146287873.db2.gz CXEARRLJIGQVAC-INIZCTEOSA-N 2 1 303.450 2.611 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1OC(F)F ZINC000261844165 146287882 /nfs/dbraw/zinc/28/78/82/146287882.db2.gz CWNRHNDGLXHAMQ-WCQYABFASA-N 2 1 314.376 2.856 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1 ZINC000261865284 146291559 /nfs/dbraw/zinc/29/15/59/146291559.db2.gz RPTQMWFUZBWSDX-DOTOQJQBSA-N 2 1 317.477 2.728 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261894205 146296609 /nfs/dbraw/zinc/29/66/09/146296609.db2.gz GWVSPNHJKYQCTK-KZNAEPCWSA-N 2 1 318.461 2.721 20 0 DFADMP CCN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261909161 146300330 /nfs/dbraw/zinc/30/03/30/146300330.db2.gz XTBROZYCHWGAMW-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP O=C(NC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261944545 146307171 /nfs/dbraw/zinc/30/71/71/146307171.db2.gz VJCRODQKEYZXTE-MSOLQXFVSA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261942421 146307829 /nfs/dbraw/zinc/30/78/29/146307829.db2.gz UXUKOFFOAYIZNY-USXIJHARSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261942421 146307830 /nfs/dbraw/zinc/30/78/30/146307830.db2.gz UXUKOFFOAYIZNY-USXIJHARSA-N 2 1 315.461 2.808 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000261972567 146313894 /nfs/dbraw/zinc/31/38/94/146313894.db2.gz IJCHAIRWFYJPNO-IBGZPJMESA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCC(C)C ZINC000261972567 146313895 /nfs/dbraw/zinc/31/38/95/146313895.db2.gz IJCHAIRWFYJPNO-IBGZPJMESA-N 2 1 318.461 2.915 20 0 DFADMP CCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000262012382 146322388 /nfs/dbraw/zinc/32/23/88/146322388.db2.gz MJUXCXPDDNDEKN-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OCC ZINC000262012382 146322390 /nfs/dbraw/zinc/32/23/90/146322390.db2.gz MJUXCXPDDNDEKN-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000262016276 146322502 /nfs/dbraw/zinc/32/25/02/146322502.db2.gz WAZHMZSWYALUGT-QXAKKESOSA-N 2 1 302.462 2.859 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047997 146326913 /nfs/dbraw/zinc/32/69/13/146326913.db2.gz ZHCPUGKZJSZXEE-STQMWFEESA-N 2 1 304.463 2.708 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000262082533 146331105 /nfs/dbraw/zinc/33/11/05/146331105.db2.gz TXMAZZBVEPTNRI-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000262082533 146331108 /nfs/dbraw/zinc/33/11/08/146331108.db2.gz TXMAZZBVEPTNRI-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096541 146332942 /nfs/dbraw/zinc/33/29/42/146332942.db2.gz HZAKBIRLFFKMDC-VXGBXAGGSA-N 2 1 300.805 2.917 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096541 146332944 /nfs/dbraw/zinc/33/29/44/146332944.db2.gz HZAKBIRLFFKMDC-VXGBXAGGSA-N 2 1 300.805 2.917 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC000262344629 146352420 /nfs/dbraw/zinc/35/24/20/146352420.db2.gz UPQNJXWBOZWNJV-APHBMKBZSA-N 2 1 321.852 2.728 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262352473 146353438 /nfs/dbraw/zinc/35/34/38/146353438.db2.gz UPGBRXWQKPEXNW-IKKRTKPYSA-N 2 1 321.509 2.521 20 0 DFADMP CCCOc1ccc(OCC[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000262531335 146367956 /nfs/dbraw/zinc/36/79/56/146367956.db2.gz PQHDEYBISSXBNX-MRXNPFEDSA-N 2 1 306.450 2.928 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000262540443 146369306 /nfs/dbraw/zinc/36/93/06/146369306.db2.gz RAOGLERVOBSTEF-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)cc1OC(F)F ZINC000262540443 146369307 /nfs/dbraw/zinc/36/93/07/146369307.db2.gz RAOGLERVOBSTEF-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@H]1C ZINC000354511909 147064035 /nfs/dbraw/zinc/06/40/35/147064035.db2.gz NYCPNPKGPKIKBD-BPUTZDHNSA-N 2 1 307.438 2.539 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCOC(C)(C)C ZINC000354729264 147130896 /nfs/dbraw/zinc/13/08/96/147130896.db2.gz ISIYFYBDEOZZNP-BRWVUGGUSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CCN3CC=CCC3)CC2)C1 ZINC000355510097 147342715 /nfs/dbraw/zinc/34/27/15/147342715.db2.gz HLKFWRGJEADRFR-MJGOQNOKSA-N 2 1 305.510 2.881 20 0 DFADMP COCC[N@@H+](C)CC[C@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000357690267 148086090 /nfs/dbraw/zinc/08/60/90/148086090.db2.gz NNEBYRCAHKUAAW-IBGZPJMESA-N 2 1 313.445 2.933 20 0 DFADMP C[C@@]1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCOC1 ZINC000357863638 148153804 /nfs/dbraw/zinc/15/38/04/148153804.db2.gz HDWZSDPXWOUZLF-LJQANCHMSA-N 2 1 320.452 2.991 20 0 DFADMP COCc1ccccc1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425892149 296602771 /nfs/dbraw/zinc/60/27/71/296602771.db2.gz AEDQQYHAHVISAN-UHFFFAOYSA-N 2 1 315.417 2.578 20 0 DFADMP CSc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887589 543488857 /nfs/dbraw/zinc/48/88/57/543488857.db2.gz PEFXATZKAATOIR-RHSMWYFYSA-N 2 1 306.475 2.861 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCC(C)(C)C[NH+]2CCCC2)n1 ZINC000357939591 148183703 /nfs/dbraw/zinc/18/37/03/148183703.db2.gz DFANWWOXLIPDEX-UHFFFAOYSA-N 2 1 314.437 2.505 20 0 DFADMP Cc1nc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000358034641 148221031 /nfs/dbraw/zinc/22/10/31/148221031.db2.gz HNLZHSBTPMDWJO-MJBXVCDLSA-N 2 1 311.495 2.992 20 0 DFADMP CCN1C[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000358055722 148227751 /nfs/dbraw/zinc/22/77/51/148227751.db2.gz CGTQMTSNNZLQNX-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+]1C[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@@H](C)C1 ZINC000358055722 148227755 /nfs/dbraw/zinc/22/77/55/148227755.db2.gz CGTQMTSNNZLQNX-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)[C@@H](C)C1 ZINC000358055722 148227757 /nfs/dbraw/zinc/22/77/57/148227757.db2.gz CGTQMTSNNZLQNX-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@H](NCc2cccc(C[N@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000358055722 148227760 /nfs/dbraw/zinc/22/77/60/148227760.db2.gz CGTQMTSNNZLQNX-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)[C@@H](C)C1 ZINC000358055722 148227763 /nfs/dbraw/zinc/22/77/63/148227763.db2.gz CGTQMTSNNZLQNX-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP Cc1nc(C)c(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000425902697 296603689 /nfs/dbraw/zinc/60/36/89/296603689.db2.gz TYSHGOVTNWPBHU-UHFFFAOYSA-N 2 1 306.435 2.505 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)[C@H](C)C1 ZINC000358103475 148243959 /nfs/dbraw/zinc/24/39/59/148243959.db2.gz WTYYYQVGBMHDMV-VQIMIIECSA-N 2 1 320.477 2.661 20 0 DFADMP CO[C@](C)(C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000638006212 543496743 /nfs/dbraw/zinc/49/67/43/543496743.db2.gz GBFSGSIZJNSXTF-CRAIPNDOSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000638006212 543496746 /nfs/dbraw/zinc/49/67/46/543496746.db2.gz GBFSGSIZJNSXTF-CRAIPNDOSA-N 2 1 303.450 2.939 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133765 148256167 /nfs/dbraw/zinc/25/61/67/148256167.db2.gz QRMRJJNTLJPRNV-DNVCBOLYSA-N 2 1 323.440 2.711 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358249671 148303306 /nfs/dbraw/zinc/30/33/06/148303306.db2.gz KTXZSEIKOKBUSR-KUHUBIRLSA-N 2 1 314.429 2.566 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358249671 148303311 /nfs/dbraw/zinc/30/33/11/148303311.db2.gz KTXZSEIKOKBUSR-KUHUBIRLSA-N 2 1 314.429 2.566 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000358351028 148338320 /nfs/dbraw/zinc/33/83/20/148338320.db2.gz HBHRBJYGCLIXPO-IEBWSBKVSA-N 2 1 324.472 2.828 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]C2CCC(C3CCC3)CC2)CC1 ZINC000657349684 543517407 /nfs/dbraw/zinc/51/74/07/543517407.db2.gz JVMRVXWGBNSNBH-UHFFFAOYSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358934742 148484562 /nfs/dbraw/zinc/48/45/62/148484562.db2.gz KZJBDBOPMIWWOZ-INMHGKMJSA-N 2 1 304.482 2.755 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc(OC)c1O ZINC000359105873 148560528 /nfs/dbraw/zinc/56/05/28/148560528.db2.gz XCZBWTPMNCXRFP-UHFFFAOYSA-N 2 1 322.449 2.619 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360984539 149000034 /nfs/dbraw/zinc/00/00/34/149000034.db2.gz RKZLPMXVBQGGSS-ZDUSSCGKSA-N 2 1 314.424 2.959 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000360995260 149002114 /nfs/dbraw/zinc/00/21/14/149002114.db2.gz ICBPTUFAYNCUAN-INMHGKMJSA-N 2 1 305.441 2.582 20 0 DFADMP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361184866 149050198 /nfs/dbraw/zinc/05/01/98/149050198.db2.gz YRONTCHUSUWNBH-BRWVUGGUSA-N 2 1 323.525 2.768 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000361347212 149091537 /nfs/dbraw/zinc/09/15/37/149091537.db2.gz TXMIINUZHVVKBE-AYOQOUSVSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2CC(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000361435828 149115055 /nfs/dbraw/zinc/11/50/55/149115055.db2.gz OJIXMBYVGFKTAY-WEOZKBJRSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2CC(O)C2)CC[N@H+]1Cc1ccccc1 ZINC000361435828 149115058 /nfs/dbraw/zinc/11/50/58/149115058.db2.gz OJIXMBYVGFKTAY-WEOZKBJRSA-N 2 1 302.462 2.790 20 0 DFADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685815 149191778 /nfs/dbraw/zinc/19/17/78/149191778.db2.gz GPPQGRJBRPAVDX-MOPGFXCFSA-N 2 1 314.473 2.888 20 0 DFADMP OC1(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685815 149191780 /nfs/dbraw/zinc/19/17/80/149191780.db2.gz GPPQGRJBRPAVDX-MOPGFXCFSA-N 2 1 314.473 2.888 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCC[NH+]2CCCC2)n1 ZINC000361946165 149262799 /nfs/dbraw/zinc/26/27/99/149262799.db2.gz SPBHKULHJIJWRG-SFHVURJKSA-N 2 1 304.482 2.840 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000362079437 149290271 /nfs/dbraw/zinc/29/02/71/149290271.db2.gz PDXFASHWBVMHOF-ICSRJNTNSA-N 2 1 315.505 2.761 20 0 DFADMP Cc1nc(CC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000362618509 149325871 /nfs/dbraw/zinc/32/58/71/149325871.db2.gz YISVCHHNMRRVEB-YOEHRIQHSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000362618509 149325872 /nfs/dbraw/zinc/32/58/72/149325872.db2.gz YISVCHHNMRRVEB-YOEHRIQHSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000362618509 149325873 /nfs/dbraw/zinc/32/58/73/149325873.db2.gz YISVCHHNMRRVEB-YOEHRIQHSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000362618509 149325874 /nfs/dbraw/zinc/32/58/74/149325874.db2.gz YISVCHHNMRRVEB-YOEHRIQHSA-N 2 1 305.491 2.943 20 0 DFADMP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000351474648 286129265 /nfs/dbraw/zinc/12/92/65/286129265.db2.gz GRARDNDPWWNWHP-HKUYNNGSSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000351474648 286129267 /nfs/dbraw/zinc/12/92/67/286129267.db2.gz GRARDNDPWWNWHP-HKUYNNGSSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000351474648 286129270 /nfs/dbraw/zinc/12/92/70/286129270.db2.gz GRARDNDPWWNWHP-HKUYNNGSSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000351474648 286129274 /nfs/dbraw/zinc/12/92/74/286129274.db2.gz GRARDNDPWWNWHP-HKUYNNGSSA-N 2 1 302.462 2.841 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@H]12 ZINC000351475503 286129295 /nfs/dbraw/zinc/12/92/95/286129295.db2.gz IMTRRZKGHNROAB-KWCYVHTRSA-N 2 1 314.351 2.797 20 0 DFADMP Cc1sccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000351477083 286129940 /nfs/dbraw/zinc/12/99/40/286129940.db2.gz OXLACKMDHPPMSN-QGZVFWFLSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1sccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000351477083 286129943 /nfs/dbraw/zinc/12/99/43/286129943.db2.gz OXLACKMDHPPMSN-QGZVFWFLSA-N 2 1 307.507 2.658 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)cc(Cl)c3)C2)CC1 ZINC000351446558 286126953 /nfs/dbraw/zinc/12/69/53/286126953.db2.gz ASLFGPLVULTLOF-SFHVURJKSA-N 2 1 321.896 2.860 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+](C1CC1)[C@H]1CCCc2ccccc21)C1CC1 ZINC000351521461 286142294 /nfs/dbraw/zinc/14/22/94/286142294.db2.gz JHIGNCGOGPAFJP-QUCCMNQESA-N 2 1 314.473 2.984 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+](C1CC1)[C@H]1CCCc2ccccc21)C1CC1 ZINC000351521461 286142297 /nfs/dbraw/zinc/14/22/97/286142297.db2.gz JHIGNCGOGPAFJP-QUCCMNQESA-N 2 1 314.473 2.984 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](C1CC1)[C@H]1CCCc2ccccc21)C1CC1 ZINC000351521461 286142301 /nfs/dbraw/zinc/14/23/01/286142301.db2.gz JHIGNCGOGPAFJP-QUCCMNQESA-N 2 1 314.473 2.984 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21)C1CC1 ZINC000351521461 286142303 /nfs/dbraw/zinc/14/23/03/286142303.db2.gz JHIGNCGOGPAFJP-QUCCMNQESA-N 2 1 314.473 2.984 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351522982 286142847 /nfs/dbraw/zinc/14/28/47/286142847.db2.gz ZTTSNJRQDHFHMQ-PKOBYXMFSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351522982 286142848 /nfs/dbraw/zinc/14/28/48/286142848.db2.gz ZTTSNJRQDHFHMQ-PKOBYXMFSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351522982 286142849 /nfs/dbraw/zinc/14/28/49/286142849.db2.gz ZTTSNJRQDHFHMQ-PKOBYXMFSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351522982 286142850 /nfs/dbraw/zinc/14/28/50/286142850.db2.gz ZTTSNJRQDHFHMQ-PKOBYXMFSA-N 2 1 304.478 2.703 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538084 286146852 /nfs/dbraw/zinc/14/68/52/286146852.db2.gz QUQLYGDKESMQFU-UXHICEINSA-N 2 1 316.489 2.786 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538084 286146854 /nfs/dbraw/zinc/14/68/54/286146854.db2.gz QUQLYGDKESMQFU-UXHICEINSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538084 286146855 /nfs/dbraw/zinc/14/68/55/286146855.db2.gz QUQLYGDKESMQFU-UXHICEINSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538084 286146856 /nfs/dbraw/zinc/14/68/56/286146856.db2.gz QUQLYGDKESMQFU-UXHICEINSA-N 2 1 316.489 2.786 20 0 DFADMP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000351539563 286147677 /nfs/dbraw/zinc/14/76/77/286147677.db2.gz UPZGAEJTPQOORO-RBUKOAKNSA-N 2 1 304.478 2.991 20 0 DFADMP CCc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000351539563 286147680 /nfs/dbraw/zinc/14/76/80/286147680.db2.gz UPZGAEJTPQOORO-RBUKOAKNSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1nc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000371205722 150002198 /nfs/dbraw/zinc/00/21/98/150002198.db2.gz VGFPMXAWRUQVKM-UHFFFAOYSA-N 2 1 302.447 2.947 20 0 DFADMP Cc1nc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cs1 ZINC000371205722 150002202 /nfs/dbraw/zinc/00/22/02/150002202.db2.gz VGFPMXAWRUQVKM-UHFFFAOYSA-N 2 1 302.447 2.947 20 0 DFADMP CC(C)(C)n1ncc2c1ncnc2N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000371311569 150021166 /nfs/dbraw/zinc/02/11/66/150021166.db2.gz XMYQKWYFMQFNER-QWHCGFSZSA-N 2 1 314.437 2.620 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000371402782 150041210 /nfs/dbraw/zinc/04/12/10/150041210.db2.gz BLICGANTRHENJE-QGZVFWFLSA-N 2 1 313.449 2.778 20 0 DFADMP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000371429396 150045054 /nfs/dbraw/zinc/04/50/54/150045054.db2.gz DBQRXGDJDJPVAJ-MSOLQXFVSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000371429742 150045343 /nfs/dbraw/zinc/04/53/43/150045343.db2.gz GUVMATOHMMMWRI-SPYBWZPUSA-N 2 1 312.461 2.905 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@@H](C)C1 ZINC000371446230 150047301 /nfs/dbraw/zinc/04/73/01/150047301.db2.gz CBFORYHLJWZCFL-MFNGEMCRSA-N 2 1 306.454 2.724 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591435 286162531 /nfs/dbraw/zinc/16/25/31/286162531.db2.gz FBGQTSQTMDJNDJ-KXBFYZLASA-N 2 1 320.452 2.850 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591435 286162533 /nfs/dbraw/zinc/16/25/33/286162533.db2.gz FBGQTSQTMDJNDJ-KXBFYZLASA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591435 286162536 /nfs/dbraw/zinc/16/25/36/286162536.db2.gz FBGQTSQTMDJNDJ-KXBFYZLASA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591435 286162539 /nfs/dbraw/zinc/16/25/39/286162539.db2.gz FBGQTSQTMDJNDJ-KXBFYZLASA-N 2 1 320.452 2.850 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000351575782 286158316 /nfs/dbraw/zinc/15/83/16/286158316.db2.gz USQSSULKFZNLKJ-SJLPKXTDSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000351575782 286158317 /nfs/dbraw/zinc/15/83/17/286158317.db2.gz USQSSULKFZNLKJ-SJLPKXTDSA-N 2 1 302.462 2.745 20 0 DFADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)c(C)cn1 ZINC000372164962 150143801 /nfs/dbraw/zinc/14/38/01/150143801.db2.gz OGGFTMWZBOQDOK-GOSISDBHSA-N 2 1 309.413 2.723 20 0 DFADMP Cc1cc(NC(=O)[C@H]2CCCN2Cc2ccccc2)c(C)cn1 ZINC000372164962 150143804 /nfs/dbraw/zinc/14/38/04/150143804.db2.gz OGGFTMWZBOQDOK-GOSISDBHSA-N 2 1 309.413 2.723 20 0 DFADMP COCc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000372170041 150144096 /nfs/dbraw/zinc/14/40/96/150144096.db2.gz NWYIZSXAIQIXHC-CEXWTWQISA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000372170041 150144098 /nfs/dbraw/zinc/14/40/98/150144098.db2.gz NWYIZSXAIQIXHC-CEXWTWQISA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000372170041 150144099 /nfs/dbraw/zinc/14/40/99/150144099.db2.gz NWYIZSXAIQIXHC-CEXWTWQISA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000372170041 150144103 /nfs/dbraw/zinc/14/41/03/150144103.db2.gz NWYIZSXAIQIXHC-CEXWTWQISA-N 2 1 300.446 2.749 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351598740 286164476 /nfs/dbraw/zinc/16/44/76/286164476.db2.gz VEUDYCGZIWBMIS-SJORKVTESA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351598740 286164478 /nfs/dbraw/zinc/16/44/78/286164478.db2.gz VEUDYCGZIWBMIS-SJORKVTESA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351598740 286164481 /nfs/dbraw/zinc/16/44/81/286164481.db2.gz VEUDYCGZIWBMIS-SJORKVTESA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351598739 286164827 /nfs/dbraw/zinc/16/48/27/286164827.db2.gz VEUDYCGZIWBMIS-IRXDYDNUSA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351598739 286164829 /nfs/dbraw/zinc/16/48/29/286164829.db2.gz VEUDYCGZIWBMIS-IRXDYDNUSA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351598739 286164830 /nfs/dbraw/zinc/16/48/30/286164830.db2.gz VEUDYCGZIWBMIS-IRXDYDNUSA-N 2 1 304.482 2.957 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCn1ccnc1 ZINC000372316983 150163561 /nfs/dbraw/zinc/16/35/61/150163561.db2.gz TUVWHJIKLJSNQX-PKOBYXMFSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCn1ccnc1 ZINC000372316983 150163564 /nfs/dbraw/zinc/16/35/64/150163564.db2.gz TUVWHJIKLJSNQX-PKOBYXMFSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCn1ccnc1 ZINC000372316983 150163567 /nfs/dbraw/zinc/16/35/67/150163567.db2.gz TUVWHJIKLJSNQX-PKOBYXMFSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCn1ccnc1 ZINC000372316983 150163569 /nfs/dbraw/zinc/16/35/69/150163569.db2.gz TUVWHJIKLJSNQX-PKOBYXMFSA-N 2 1 312.461 2.726 20 0 DFADMP Cc1ccnc(C2CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000372463478 150175753 /nfs/dbraw/zinc/17/57/53/150175753.db2.gz LJSWECJIDGAQSP-UHFFFAOYSA-N 2 1 302.466 2.840 20 0 DFADMP C/C=C(/CC)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372771345 150183447 /nfs/dbraw/zinc/18/34/47/150183447.db2.gz VMQWHRJZRRHLQJ-INGKJJEOSA-N 2 1 321.509 2.655 20 0 DFADMP CC[C@H](C)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372776855 150183534 /nfs/dbraw/zinc/18/35/34/150183534.db2.gz QCKOPSHDLHAOBB-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP CCCC[C@H](C)[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000372783626 150184164 /nfs/dbraw/zinc/18/41/64/150184164.db2.gz RIUALMMLEATPHL-HNNXBMFYSA-N 2 1 321.513 2.539 20 0 DFADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1)O[C@H]1CCCCO1 ZINC000373116568 150232802 /nfs/dbraw/zinc/23/28/02/150232802.db2.gz XOHPOTJDJNXPPL-MSOLQXFVSA-N 2 1 310.482 2.728 20 0 DFADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1)O[C@H]1CCCCO1 ZINC000373116568 150232803 /nfs/dbraw/zinc/23/28/03/150232803.db2.gz XOHPOTJDJNXPPL-MSOLQXFVSA-N 2 1 310.482 2.728 20 0 DFADMP CO[C@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000373762956 150253164 /nfs/dbraw/zinc/25/31/64/150253164.db2.gz KXIBSCNGSLKKQK-OLZOCXBDSA-N 2 1 309.479 2.567 20 0 DFADMP O=C(CCC1CC[NH2+]CC1)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000374312699 150342819 /nfs/dbraw/zinc/34/28/19/150342819.db2.gz WKOJDKWPPHLCQK-QGZVFWFLSA-N 2 1 321.509 2.680 20 0 DFADMP Cn1c(Cl)cnc1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374318570 150343651 /nfs/dbraw/zinc/34/36/51/150343651.db2.gz RQRYXNWAYIRTRZ-CYBMUJFWSA-N 2 1 322.884 2.770 20 0 DFADMP Cn1c(Cl)cnc1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374318571 150344285 /nfs/dbraw/zinc/34/42/85/150344285.db2.gz RQRYXNWAYIRTRZ-ZDUSSCGKSA-N 2 1 322.884 2.770 20 0 DFADMP Cc1cccc(OCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374426280 150365270 /nfs/dbraw/zinc/36/52/70/150365270.db2.gz DBFIJHUSSQKPKA-NZSAHSFTSA-N 2 1 318.461 2.557 20 0 DFADMP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351641079 286178772 /nfs/dbraw/zinc/17/87/72/286178772.db2.gz YPCSEVJEQPYZMX-AEFFLSMTSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H]1C[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526375 150372656 /nfs/dbraw/zinc/37/26/56/150372656.db2.gz HLYQEZASWQDCAL-PIKOESSRSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000374526375 150372661 /nfs/dbraw/zinc/37/26/61/150372661.db2.gz HLYQEZASWQDCAL-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526375 150372664 /nfs/dbraw/zinc/37/26/64/150372664.db2.gz HLYQEZASWQDCAL-PIKOESSRSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526375 150372666 /nfs/dbraw/zinc/37/26/66/150372666.db2.gz HLYQEZASWQDCAL-PIKOESSRSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000374526375 150372668 /nfs/dbraw/zinc/37/26/68/150372668.db2.gz HLYQEZASWQDCAL-PIKOESSRSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000374526375 150372670 /nfs/dbraw/zinc/37/26/70/150372670.db2.gz HLYQEZASWQDCAL-PIKOESSRSA-N 3 1 315.505 2.969 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374527465 150372880 /nfs/dbraw/zinc/37/28/80/150372880.db2.gz AVZYKCWDZWOPMI-IBGZPJMESA-N 2 1 313.445 2.608 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374527465 150372882 /nfs/dbraw/zinc/37/28/82/150372882.db2.gz AVZYKCWDZWOPMI-IBGZPJMESA-N 2 1 313.445 2.608 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722090 286202567 /nfs/dbraw/zinc/20/25/67/286202567.db2.gz WERISGAREPLMFH-ROUUACIJSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722090 286202569 /nfs/dbraw/zinc/20/25/69/286202569.db2.gz WERISGAREPLMFH-ROUUACIJSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722090 286202570 /nfs/dbraw/zinc/20/25/70/286202570.db2.gz WERISGAREPLMFH-ROUUACIJSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722090 286202571 /nfs/dbraw/zinc/20/25/71/286202571.db2.gz WERISGAREPLMFH-ROUUACIJSA-N 2 1 302.462 2.567 20 0 DFADMP CC[C@H](C)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000351805891 286222935 /nfs/dbraw/zinc/22/29/35/286222935.db2.gz DCEIUHOCQSGYGR-IRXDYDNUSA-N 2 1 311.514 2.687 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857426 286233135 /nfs/dbraw/zinc/23/31/35/286233135.db2.gz BEWOVQZKKAOYKV-ZBFHGGJFSA-N 2 1 311.429 2.838 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859723 286233767 /nfs/dbraw/zinc/23/37/67/286233767.db2.gz GXVDVVUIUMQFGE-PWNZVWSESA-N 2 1 323.868 2.575 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859723 286233770 /nfs/dbraw/zinc/23/37/70/286233770.db2.gz GXVDVVUIUMQFGE-PWNZVWSESA-N 2 1 323.868 2.575 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018053 286270823 /nfs/dbraw/zinc/27/08/23/286270823.db2.gz MZZLCIAAZDTZTM-HKUYNNGSSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018053 286270825 /nfs/dbraw/zinc/27/08/25/286270825.db2.gz MZZLCIAAZDTZTM-HKUYNNGSSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018053 286270826 /nfs/dbraw/zinc/27/08/26/286270826.db2.gz MZZLCIAAZDTZTM-HKUYNNGSSA-N 2 1 300.446 2.940 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352023000 286272070 /nfs/dbraw/zinc/27/20/70/286272070.db2.gz STLWEWLKXRWCCC-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352023000 286272072 /nfs/dbraw/zinc/27/20/72/286272072.db2.gz STLWEWLKXRWCCC-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352023000 286272074 /nfs/dbraw/zinc/27/20/74/286272074.db2.gz STLWEWLKXRWCCC-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352023000 286272075 /nfs/dbraw/zinc/27/20/75/286272075.db2.gz STLWEWLKXRWCCC-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000352024825 286272624 /nfs/dbraw/zinc/27/26/24/286272624.db2.gz JFLFBLOEVIULOK-HOTGVXAUSA-N 2 1 319.449 2.712 20 0 DFADMP COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000352024827 286272678 /nfs/dbraw/zinc/27/26/78/286272678.db2.gz JFLFBLOEVIULOK-JKSUJKDBSA-N 2 1 319.449 2.712 20 0 DFADMP CCc1ccc([C@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000352104178 286292695 /nfs/dbraw/zinc/29/26/95/286292695.db2.gz UBEGPWZHBNLWJK-ICSRJNTNSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000352104178 286292696 /nfs/dbraw/zinc/29/26/96/286292696.db2.gz UBEGPWZHBNLWJK-ICSRJNTNSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000352104178 286292698 /nfs/dbraw/zinc/29/26/98/286292698.db2.gz UBEGPWZHBNLWJK-ICSRJNTNSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000352104178 286292699 /nfs/dbraw/zinc/29/26/99/286292699.db2.gz UBEGPWZHBNLWJK-ICSRJNTNSA-N 2 1 316.489 2.884 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352108723 286294138 /nfs/dbraw/zinc/29/41/38/286294138.db2.gz ZABCEVOAEKUYLJ-SUMDDJOVSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352108723 286294139 /nfs/dbraw/zinc/29/41/39/286294139.db2.gz ZABCEVOAEKUYLJ-SUMDDJOVSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352108723 286294140 /nfs/dbraw/zinc/29/41/40/286294140.db2.gz ZABCEVOAEKUYLJ-SUMDDJOVSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352108723 286294141 /nfs/dbraw/zinc/29/41/41/286294141.db2.gz ZABCEVOAEKUYLJ-SUMDDJOVSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nncn1C ZINC000352325433 286344013 /nfs/dbraw/zinc/34/40/13/286344013.db2.gz RVPDVWOSMZWZMK-HNNXBMFYSA-N 2 1 313.449 2.652 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000352349920 286350075 /nfs/dbraw/zinc/35/00/75/286350075.db2.gz IIZIQDMFUUGKNH-FUHWJXTLSA-N 2 1 319.493 2.790 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352489145 286386479 /nfs/dbraw/zinc/38/64/79/286386479.db2.gz YCVBHQGEVZNFNH-UHFFFAOYSA-N 2 1 303.450 2.775 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352489145 286386481 /nfs/dbraw/zinc/38/64/81/286386481.db2.gz YCVBHQGEVZNFNH-UHFFFAOYSA-N 2 1 303.450 2.775 20 0 DFADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495235 286388152 /nfs/dbraw/zinc/38/81/52/286388152.db2.gz JTUBCGMMSHXGOZ-YOEHRIQHSA-N 2 1 321.440 2.548 20 0 DFADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495235 286388153 /nfs/dbraw/zinc/38/81/53/286388153.db2.gz JTUBCGMMSHXGOZ-YOEHRIQHSA-N 2 1 321.440 2.548 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352503600 286390984 /nfs/dbraw/zinc/39/09/84/286390984.db2.gz HZHAVVXVPRLEHO-MAUKXSAKSA-N 2 1 317.477 2.630 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352503600 286390985 /nfs/dbraw/zinc/39/09/85/286390985.db2.gz HZHAVVXVPRLEHO-MAUKXSAKSA-N 2 1 317.477 2.630 20 0 DFADMP C[C@@H](C1CC1)N(C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)C1CC1 ZINC000352525431 286398013 /nfs/dbraw/zinc/39/80/13/286398013.db2.gz GMQMFRQMCUALEG-HNNXBMFYSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1COc2ccccc21 ZINC000352759228 286459643 /nfs/dbraw/zinc/45/96/43/286459643.db2.gz JLVSCHIXFGJUBU-DOMZBBRYSA-N 2 1 317.458 2.859 20 0 DFADMP CCc1nc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)sc1C ZINC000352823351 286477042 /nfs/dbraw/zinc/47/70/42/286477042.db2.gz QVVTUDNEUOOOSC-UHFFFAOYSA-N 2 1 324.519 2.864 20 0 DFADMP Clc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)o1 ZINC000352876236 286491193 /nfs/dbraw/zinc/49/11/93/286491193.db2.gz MJUFUKFFDOWDAA-UHFFFAOYSA-N 2 1 312.841 2.867 20 0 DFADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453356089 298086341 /nfs/dbraw/zinc/08/63/41/298086341.db2.gz HTHVCVVTQHAAJC-ZRSRNVLSSA-N 2 1 300.446 2.543 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273078 158083390 /nfs/dbraw/zinc/08/33/90/158083390.db2.gz SAIJACLOQKRIPG-GUYCJALGSA-N 2 1 322.424 2.774 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273078 158083393 /nfs/dbraw/zinc/08/33/93/158083393.db2.gz SAIJACLOQKRIPG-GUYCJALGSA-N 2 1 322.424 2.774 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273078 158083394 /nfs/dbraw/zinc/08/33/94/158083394.db2.gz SAIJACLOQKRIPG-GUYCJALGSA-N 2 1 322.424 2.774 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@@H](C)C1 ZINC000246273078 158083395 /nfs/dbraw/zinc/08/33/95/158083395.db2.gz SAIJACLOQKRIPG-GUYCJALGSA-N 2 1 322.424 2.774 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000246347127 158087471 /nfs/dbraw/zinc/08/74/71/158087471.db2.gz ITPYKKBDUUSGFV-ZWKOTPCHSA-N 2 1 319.493 2.772 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000246485126 158093697 /nfs/dbraw/zinc/09/36/97/158093697.db2.gz RMXOJGCYTVLYJH-ZBFHGGJFSA-N 2 1 315.465 2.729 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000246485126 158093699 /nfs/dbraw/zinc/09/36/99/158093699.db2.gz RMXOJGCYTVLYJH-ZBFHGGJFSA-N 2 1 315.465 2.729 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246802434 158099660 /nfs/dbraw/zinc/09/96/60/158099660.db2.gz AEWCKCUZRREUIM-HDMKZQKVSA-N 2 1 306.450 2.782 20 0 DFADMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246837034 158102353 /nfs/dbraw/zinc/10/23/53/158102353.db2.gz BLGAGSSHIWNFPN-WBVHZDCISA-N 2 1 320.481 2.741 20 0 DFADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246837034 158102356 /nfs/dbraw/zinc/10/23/56/158102356.db2.gz BLGAGSSHIWNFPN-WBVHZDCISA-N 2 1 320.481 2.741 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000246917228 158105752 /nfs/dbraw/zinc/10/57/52/158105752.db2.gz GDBNEYIVUFOLKX-YLFCFFPRSA-N 2 1 307.482 2.981 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989647 158111753 /nfs/dbraw/zinc/11/17/53/158111753.db2.gz KELYJCMRHCTKGU-QFBILLFUSA-N 2 1 312.461 2.751 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247305246 158128519 /nfs/dbraw/zinc/12/85/19/158128519.db2.gz ZXJHHCZRZOGICO-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247305246 158128520 /nfs/dbraw/zinc/12/85/20/158128520.db2.gz ZXJHHCZRZOGICO-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247305246 158128523 /nfs/dbraw/zinc/12/85/23/158128523.db2.gz ZXJHHCZRZOGICO-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc3nccn3c2)[C@H]1c1ccccc1 ZINC000248040659 158157974 /nfs/dbraw/zinc/15/79/74/158157974.db2.gz LZHCLZZGSFIGHC-SJLPKXTDSA-N 2 1 320.396 2.510 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248133656 158161407 /nfs/dbraw/zinc/16/14/07/158161407.db2.gz OUPWMACZPLCEOV-ZWKOTPCHSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248133656 158161409 /nfs/dbraw/zinc/16/14/09/158161409.db2.gz OUPWMACZPLCEOV-ZWKOTPCHSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248133656 158161410 /nfs/dbraw/zinc/16/14/10/158161410.db2.gz OUPWMACZPLCEOV-ZWKOTPCHSA-N 2 1 304.482 2.778 20 0 DFADMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248643255 158193525 /nfs/dbraw/zinc/19/35/25/158193525.db2.gz PHJNUMVRIASZEV-LORHWOILSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000248643255 158193528 /nfs/dbraw/zinc/19/35/28/158193528.db2.gz PHJNUMVRIASZEV-LORHWOILSA-N 2 1 301.478 2.893 20 0 DFADMP OCCCCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248751060 158200022 /nfs/dbraw/zinc/20/00/22/158200022.db2.gz OMBFXQFRLQQCBP-IPMKNSEASA-N 2 1 302.462 2.649 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1 ZINC000268782193 158209195 /nfs/dbraw/zinc/20/91/95/158209195.db2.gz DHLXUYQNVPHNJW-QFBILLFUSA-N 2 1 312.461 2.834 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355027982 158255910 /nfs/dbraw/zinc/25/59/10/158255910.db2.gz FLYCAQNKZOBOTQ-IAGOWNOFSA-N 2 1 301.478 2.848 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000356893189 158319066 /nfs/dbraw/zinc/31/90/66/158319066.db2.gz ILDWQZXYZKYJIG-QFBILLFUSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000356893189 158319067 /nfs/dbraw/zinc/31/90/67/158319067.db2.gz ILDWQZXYZKYJIG-QFBILLFUSA-N 2 1 302.462 2.840 20 0 DFADMP C[NH+](C)CCc1ccccc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356893397 158319240 /nfs/dbraw/zinc/31/92/40/158319240.db2.gz PLGJFYDISWBDSF-KRWDZBQOSA-N 2 1 317.477 2.994 20 0 DFADMP Cc1ccc(N2CCC([NH2+][C@@H](C)[C@H]3CCCOC3)CC2)[nH+]c1 ZINC000356903480 158320523 /nfs/dbraw/zinc/32/05/23/158320523.db2.gz RYXQCISDSRFWOJ-HOTGVXAUSA-N 2 1 303.450 2.764 20 0 DFADMP Cc1cnc([C@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000356970687 158335474 /nfs/dbraw/zinc/33/54/74/158335474.db2.gz AMQYAGQCFVXCKV-XHSDSOJGSA-N 2 1 321.465 2.865 20 0 DFADMP Cc1cnc([C@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000356970687 158335477 /nfs/dbraw/zinc/33/54/77/158335477.db2.gz AMQYAGQCFVXCKV-XHSDSOJGSA-N 2 1 321.465 2.865 20 0 DFADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)CCO1 ZINC000357001438 158343637 /nfs/dbraw/zinc/34/36/37/158343637.db2.gz XSAUMFKGRRMBFA-KSZLIROESA-N 2 1 312.498 2.624 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357039875 158354552 /nfs/dbraw/zinc/35/45/52/158354552.db2.gz BAHLFVTXPHUSQH-ZIAGYGMSSA-N 2 1 314.351 2.669 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357039875 158354553 /nfs/dbraw/zinc/35/45/53/158354553.db2.gz BAHLFVTXPHUSQH-ZIAGYGMSSA-N 2 1 314.351 2.669 20 0 DFADMP CCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357055362 158357676 /nfs/dbraw/zinc/35/76/76/158357676.db2.gz QXACMJKSQXADRB-JKSUJKDBSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357055362 158357678 /nfs/dbraw/zinc/35/76/78/158357678.db2.gz QXACMJKSQXADRB-JKSUJKDBSA-N 2 1 304.434 2.525 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357083321 158362823 /nfs/dbraw/zinc/36/28/23/158362823.db2.gz OVMMULJRVXRLLJ-TZMCWYRMSA-N 2 1 306.454 2.750 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508017 158383564 /nfs/dbraw/zinc/38/35/64/158383564.db2.gz NYLVYVYJNBOQGW-HNNXBMFYSA-N 2 1 315.461 2.652 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc1F ZINC000377698982 158926330 /nfs/dbraw/zinc/92/63/30/158926330.db2.gz NEQBHLVQPPFCKF-STQMWFEESA-N 2 1 303.381 2.944 20 0 DFADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430947872 296814217 /nfs/dbraw/zinc/81/42/17/296814217.db2.gz CPZAKYROYVRRKN-QWHCGFSZSA-N 2 1 321.490 2.795 20 0 DFADMP O[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000129184806 196026590 /nfs/dbraw/zinc/02/65/90/196026590.db2.gz CRIPFECNGYATOJ-VQIMIIECSA-N 2 1 320.452 2.583 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130732563 196105250 /nfs/dbraw/zinc/10/52/50/196105250.db2.gz YVQURIGMPNUQNE-MSOLQXFVSA-N 2 1 302.462 2.759 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1)C(C)C ZINC000131003089 196130539 /nfs/dbraw/zinc/13/05/39/196130539.db2.gz UDAREOFAKYNTQO-SFHVURJKSA-N 2 1 317.477 2.870 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCn1ccnc1 ZINC000131641430 196187326 /nfs/dbraw/zinc/18/73/26/196187326.db2.gz TUVWHJIKLJSNQX-HKUYNNGSSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCn1ccnc1 ZINC000131641430 196187327 /nfs/dbraw/zinc/18/73/27/196187327.db2.gz TUVWHJIKLJSNQX-HKUYNNGSSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCn1ccnc1 ZINC000131641430 196187329 /nfs/dbraw/zinc/18/73/29/196187329.db2.gz TUVWHJIKLJSNQX-HKUYNNGSSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCn1ccnc1 ZINC000131641430 196187331 /nfs/dbraw/zinc/18/73/31/196187331.db2.gz TUVWHJIKLJSNQX-HKUYNNGSSA-N 2 1 312.461 2.726 20 0 DFADMP CC[N@@H+](CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)C1CC1 ZINC000132085830 196225042 /nfs/dbraw/zinc/22/50/42/196225042.db2.gz VSKHAUZHYPGRRK-HNNXBMFYSA-N 2 1 317.477 2.716 20 0 DFADMP Fc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000132222726 196235811 /nfs/dbraw/zinc/23/58/11/196235811.db2.gz BHPWRDYGJYVXNK-SNVBAGLBSA-N 2 1 301.203 2.677 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000132746831 196279956 /nfs/dbraw/zinc/27/99/56/196279956.db2.gz QLGZXKRCFKXCJD-VQIMIIECSA-N 2 1 301.478 2.975 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000133090564 196311013 /nfs/dbraw/zinc/31/10/13/196311013.db2.gz FEHNJTWVTSABNZ-GJZGRUSLSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000262319119 287272318 /nfs/dbraw/zinc/27/23/18/287272318.db2.gz VHFLKDWRXQEACZ-VSZNYVQBSA-N 2 1 321.509 2.617 20 0 DFADMP Fc1cc(F)cc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000134061470 196358226 /nfs/dbraw/zinc/35/82/26/196358226.db2.gz IDWHRPKTEPHWSI-UHFFFAOYSA-N 2 1 310.388 2.509 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000134068414 196358508 /nfs/dbraw/zinc/35/85/08/196358508.db2.gz JRHBUOZBHDNCLJ-UHOSZYNNSA-N 2 1 301.478 2.896 20 0 DFADMP c1cc(C[N@@H+]2CC[C@@H](CNc3ccccn3)C2)n(CC2CC2)n1 ZINC000667576593 543635239 /nfs/dbraw/zinc/63/52/39/543635239.db2.gz PWLKNYGFNYRCJY-INIZCTEOSA-N 2 1 311.433 2.622 20 0 DFADMP c1cc(CN2CC[C@@H](CNc3ccccn3)C2)n(CC2CC2)n1 ZINC000667576593 543635242 /nfs/dbraw/zinc/63/52/42/543635242.db2.gz PWLKNYGFNYRCJY-INIZCTEOSA-N 2 1 311.433 2.622 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000667517999 543621308 /nfs/dbraw/zinc/62/13/08/543621308.db2.gz LWXZJHYJDBRGPA-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667681957 543658505 /nfs/dbraw/zinc/65/85/05/543658505.db2.gz WDFVAVQRQQYSAM-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667681957 543658507 /nfs/dbraw/zinc/65/85/07/543658507.db2.gz WDFVAVQRQQYSAM-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667681957 543658510 /nfs/dbraw/zinc/65/85/10/543658510.db2.gz WDFVAVQRQQYSAM-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667681957 543658512 /nfs/dbraw/zinc/65/85/12/543658512.db2.gz WDFVAVQRQQYSAM-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667681956 543658713 /nfs/dbraw/zinc/65/87/13/543658713.db2.gz WDFVAVQRQQYSAM-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667681956 543658717 /nfs/dbraw/zinc/65/87/17/543658717.db2.gz WDFVAVQRQQYSAM-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667681956 543658721 /nfs/dbraw/zinc/65/87/21/543658721.db2.gz WDFVAVQRQQYSAM-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667681956 543658725 /nfs/dbraw/zinc/65/87/25/543658725.db2.gz WDFVAVQRQQYSAM-FUHWJXTLSA-N 2 1 320.477 2.874 20 0 DFADMP COCc1csc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000667706506 543664014 /nfs/dbraw/zinc/66/40/14/543664014.db2.gz ANMAQEGTSMSVKW-BHYGNILZSA-N 2 1 324.490 2.578 20 0 DFADMP COCc1csc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000667706506 543664017 /nfs/dbraw/zinc/66/40/17/543664017.db2.gz ANMAQEGTSMSVKW-BHYGNILZSA-N 2 1 324.490 2.578 20 0 DFADMP Brc1ccc2oc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000667712844 543665318 /nfs/dbraw/zinc/66/53/18/543665318.db2.gz QSFABOZYJRIREU-TXEJJXNPSA-N 2 1 321.218 2.847 20 0 DFADMP Brc1ccc2oc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000667712844 543665320 /nfs/dbraw/zinc/66/53/20/543665320.db2.gz QSFABOZYJRIREU-TXEJJXNPSA-N 2 1 321.218 2.847 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@H]1c1ccccc1 ZINC000667734970 543669675 /nfs/dbraw/zinc/66/96/75/543669675.db2.gz CUIHWKRWZVHDSP-ZWKOTPCHSA-N 2 1 324.428 2.712 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CO[C@@H](C3CC3)C1)C2 ZINC000667773559 543676482 /nfs/dbraw/zinc/67/64/82/543676482.db2.gz LPTBRIIDWVPGHE-RTBURBONSA-N 2 1 300.446 2.592 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CO[C@@H](C3CC3)C1)C2 ZINC000667773559 543676484 /nfs/dbraw/zinc/67/64/84/543676484.db2.gz LPTBRIIDWVPGHE-RTBURBONSA-N 2 1 300.446 2.592 20 0 DFADMP c1nc2n(c1CN1C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C1)CCC2 ZINC000668250497 543778241 /nfs/dbraw/zinc/77/82/41/543778241.db2.gz VQXROKALQBGRHQ-PKOBYXMFSA-N 2 1 322.456 2.536 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000668170877 543758975 /nfs/dbraw/zinc/75/89/75/543758975.db2.gz YWYIUTGHZZJWJH-AWEZNQCLSA-N 2 1 313.449 2.579 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000668170877 543758978 /nfs/dbraw/zinc/75/89/78/543758978.db2.gz YWYIUTGHZZJWJH-AWEZNQCLSA-N 2 1 313.449 2.579 20 0 DFADMP CC(C)[C@@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000668198060 543765311 /nfs/dbraw/zinc/76/53/11/543765311.db2.gz DHSLXRSCGMSGAB-KRWDZBQOSA-N 2 1 300.406 2.514 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000668691724 543847139 /nfs/dbraw/zinc/84/71/39/543847139.db2.gz AWMPNGLPLCTSLS-UGSOOPFHSA-N 2 1 324.415 2.911 20 0 DFADMP CC(C)C1CCC(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000668739173 543858131 /nfs/dbraw/zinc/85/81/31/543858131.db2.gz JZVZHCBYPNXJSZ-FAFZWHIHSA-N 2 1 308.510 2.980 20 0 DFADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)C1 ZINC000669621116 543976474 /nfs/dbraw/zinc/97/64/74/543976474.db2.gz GYLLIHSYBHXUNH-QAPCUYQASA-N 2 1 306.450 2.626 20 0 DFADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670267626 544031434 /nfs/dbraw/zinc/03/14/34/544031434.db2.gz MOOYRKULTGEHMZ-VQIMIIECSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670267626 544031436 /nfs/dbraw/zinc/03/14/36/544031436.db2.gz MOOYRKULTGEHMZ-VQIMIIECSA-N 2 1 304.478 2.895 20 0 DFADMP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)nc12 ZINC000671749730 544106416 /nfs/dbraw/zinc/10/64/16/544106416.db2.gz MLBFNGALCRPXSN-KSZLIROESA-N 2 1 312.461 2.648 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671742511 544105428 /nfs/dbraw/zinc/10/54/28/544105428.db2.gz DHKNACIIFPLSJK-OLZOCXBDSA-N 2 1 303.406 2.916 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000671748408 544105805 /nfs/dbraw/zinc/10/58/05/544105805.db2.gz GUPFXFHBTVIOPA-BGTYHANMSA-N 2 1 316.445 2.981 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000672868870 544157819 /nfs/dbraw/zinc/15/78/19/544157819.db2.gz VJRPFBIHPRXQLM-SJORKVTESA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000672868870 544157822 /nfs/dbraw/zinc/15/78/22/544157822.db2.gz VJRPFBIHPRXQLM-SJORKVTESA-N 2 1 318.465 2.620 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000290298781 221554064 /nfs/dbraw/zinc/55/40/64/221554064.db2.gz BASPHVWJFDFMSV-KRWDZBQOSA-N 2 1 318.461 2.868 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291133514 222160948 /nfs/dbraw/zinc/16/09/48/222160948.db2.gz HAUWVMBMBIXFBG-XLMAVXFVSA-N 2 1 319.468 2.970 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291226196 222238868 /nfs/dbraw/zinc/23/88/68/222238868.db2.gz NVFLBYODCJMKMV-QAPCUYQASA-N 2 1 318.461 2.596 20 0 DFADMP O=C(Nc1ccc2nccn2c1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674014910 544214247 /nfs/dbraw/zinc/21/42/47/544214247.db2.gz ODSWJZIBSFULPV-AWEZNQCLSA-N 2 1 312.417 2.927 20 0 DFADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000674049782 544216269 /nfs/dbraw/zinc/21/62/69/544216269.db2.gz ZKGIJSZORMWVCG-HNAYVOBHSA-N 2 1 318.461 2.989 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000674844388 544268883 /nfs/dbraw/zinc/26/88/83/544268883.db2.gz MYNJVEXZWCDRIO-SZMVWBNQSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000674879174 544273231 /nfs/dbraw/zinc/27/32/31/544273231.db2.gz WHXOBWWWNNWPOT-HNNXBMFYSA-N 2 1 321.490 2.510 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)o1 ZINC000674965100 544280038 /nfs/dbraw/zinc/28/00/38/544280038.db2.gz MCTTYPBYHZHDOC-GOEBONIOSA-N 2 1 321.465 2.580 20 0 DFADMP O[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000675766638 544334397 /nfs/dbraw/zinc/33/43/97/544334397.db2.gz LKUZKCKOWYWEQJ-RTBURBONSA-N 2 1 320.452 2.726 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C2CCC(C(F)(F)F)CC2)CC1(C)C ZINC000442876302 297208959 /nfs/dbraw/zinc/20/89/59/297208959.db2.gz QVKIKWOFVPJGJI-UHFFFAOYSA-N 2 1 321.431 2.723 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000677240351 544457303 /nfs/dbraw/zinc/45/73/03/544457303.db2.gz HFIQLQXWMVDLDZ-JYJNAYRXSA-N 2 1 321.415 2.760 20 0 DFADMP CCC(CC)[C@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000677766811 544538664 /nfs/dbraw/zinc/53/86/64/544538664.db2.gz PEPZIDDEMIKNKO-YJBOKZPZSA-N 2 1 323.525 2.686 20 0 DFADMP CCC(CC)[C@@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000677766806 544539297 /nfs/dbraw/zinc/53/92/97/544539297.db2.gz PEPZIDDEMIKNKO-CRAIPNDOSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H](CC[NH+](C)C)N[C@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804312 544543431 /nfs/dbraw/zinc/54/34/31/544543431.db2.gz FBHQKDFGUGHOAP-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP COc1ccc(C2([NH2+]CC[C@H]3CCC[N@H+]3C)CCOCC2)cc1 ZINC000678078745 544595606 /nfs/dbraw/zinc/59/56/06/544595606.db2.gz ATYWBCJEODVESI-QGZVFWFLSA-N 2 1 318.461 2.775 20 0 DFADMP c1ccc2ncc(C[NH+]3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000678127625 544606160 /nfs/dbraw/zinc/60/61/60/544606160.db2.gz ZHTVFKGQXXQFNG-UHFFFAOYSA-N 2 1 304.397 2.952 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000299366231 229076395 /nfs/dbraw/zinc/07/63/95/229076395.db2.gz WOADVHIBYXFNPT-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000299366231 229076397 /nfs/dbraw/zinc/07/63/97/229076397.db2.gz WOADVHIBYXFNPT-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cccc(F)c3n2)[C@H](C)C1 ZINC000678277240 544641689 /nfs/dbraw/zinc/64/16/89/544641689.db2.gz HBKASKBHZYWRLO-CJNGLKHVSA-N 2 1 304.413 2.636 20 0 DFADMP OC[C@H](CC1CC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000678608568 544702300 /nfs/dbraw/zinc/70/23/00/544702300.db2.gz YDCUQSXGPMUSPZ-IBGZPJMESA-N 2 1 320.452 2.583 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000679026577 544770243 /nfs/dbraw/zinc/77/02/43/544770243.db2.gz YIYFBDLLYMMWIM-JSGCOSHPSA-N 2 1 324.428 2.778 20 0 DFADMP COC[C@H](CC(C)C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000679031824 544772030 /nfs/dbraw/zinc/77/20/30/544772030.db2.gz IYFPAQJGBWAZHL-SJORKVTESA-N 2 1 320.481 2.713 20 0 DFADMP C[C@H](CCc1ccc(Cl)s1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679037892 544772899 /nfs/dbraw/zinc/77/28/99/544772899.db2.gz XGWHABIQCWVWSG-GFCCVEGCSA-N 2 1 316.898 2.769 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000679072869 544779201 /nfs/dbraw/zinc/77/92/01/544779201.db2.gz DTHNAJXUFFPCCR-KFWWJZLASA-N 2 1 304.425 2.901 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000679076093 544780072 /nfs/dbraw/zinc/78/00/72/544780072.db2.gz QNOUFIPPVSCPKY-RNIPGJKVSA-N 2 1 307.526 2.959 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)CCCCO)cc1F ZINC000679335272 544836518 /nfs/dbraw/zinc/83/65/18/544836518.db2.gz KNBFBGBBIDLDLR-ZDUSSCGKSA-N 2 1 305.397 2.961 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679720575 544905348 /nfs/dbraw/zinc/90/53/48/544905348.db2.gz CMUXHTYFFGSQOB-GBESFXJTSA-N 2 1 316.489 2.895 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679720578 544905527 /nfs/dbraw/zinc/90/55/27/544905527.db2.gz CMUXHTYFFGSQOB-IPMKNSEASA-N 2 1 316.489 2.895 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000679863913 544918588 /nfs/dbraw/zinc/91/85/88/544918588.db2.gz QJJBYMZTUMCNSC-AFYVEPGGSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000679863913 544918593 /nfs/dbraw/zinc/91/85/93/544918593.db2.gz QJJBYMZTUMCNSC-AFYVEPGGSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000679863913 544918597 /nfs/dbraw/zinc/91/85/97/544918597.db2.gz QJJBYMZTUMCNSC-AFYVEPGGSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000679863913 544918600 /nfs/dbraw/zinc/91/86/00/544918600.db2.gz QJJBYMZTUMCNSC-AFYVEPGGSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000679986837 544939168 /nfs/dbraw/zinc/93/91/68/544939168.db2.gz WXWMGUKTFRIGFV-OAHLLOKOSA-N 2 1 313.445 2.512 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc3cnccc32)CC1 ZINC000679986837 544939170 /nfs/dbraw/zinc/93/91/70/544939170.db2.gz WXWMGUKTFRIGFV-OAHLLOKOSA-N 2 1 313.445 2.512 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000680330569 544991995 /nfs/dbraw/zinc/99/19/95/544991995.db2.gz YZKOHMHWZVNUGI-SFHVURJKSA-N 2 1 322.416 2.609 20 0 DFADMP c1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000680146654 544963821 /nfs/dbraw/zinc/96/38/21/544963821.db2.gz ZWIYIHGCOIZXKA-GBESFXJTSA-N 2 1 310.445 2.800 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000680144379 544964122 /nfs/dbraw/zinc/96/41/22/544964122.db2.gz CBERCIHJTMLGAG-VAMGGRTRSA-N 2 1 322.456 2.785 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000680144379 544964124 /nfs/dbraw/zinc/96/41/24/544964124.db2.gz CBERCIHJTMLGAG-VAMGGRTRSA-N 2 1 322.456 2.785 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000302240183 230195331 /nfs/dbraw/zinc/19/53/31/230195331.db2.gz XKAYNCIBZLEVEP-CQSZACIVSA-N 2 1 324.428 2.818 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1NC(=O)C[N@@H+](C)C(C)C ZINC000063505405 425900578 /nfs/dbraw/zinc/90/05/78/425900578.db2.gz WPRIVYJAFGBOCB-UHFFFAOYSA-N 2 1 321.465 2.686 20 0 DFADMP Cc1ccc(NC(=O)CN(C)CCCn2ccnc2)c(Cl)c1 ZINC000124453070 425919906 /nfs/dbraw/zinc/91/99/06/425919906.db2.gz ZSTISJJAGOTKLA-UHFFFAOYSA-N 2 1 320.824 2.806 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000102514947 425921951 /nfs/dbraw/zinc/92/19/51/425921951.db2.gz KMSBREVLNUCPOC-QGZVFWFLSA-N 2 1 310.482 2.774 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000102514947 425921954 /nfs/dbraw/zinc/92/19/54/425921954.db2.gz KMSBREVLNUCPOC-QGZVFWFLSA-N 2 1 310.482 2.774 20 0 DFADMP COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000124503738 425923195 /nfs/dbraw/zinc/92/31/95/425923195.db2.gz HXIIZTVEUZCEFL-ZDUSSCGKSA-N 2 1 311.495 2.678 20 0 DFADMP CCc1cc(NC[C@@H](C)N2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000124499126 425923685 /nfs/dbraw/zinc/92/36/85/425923685.db2.gz UWQWXHSWRZPBPH-OAHLLOKOSA-N 2 1 312.461 2.845 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC2OCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000124584686 425927613 /nfs/dbraw/zinc/92/76/13/425927613.db2.gz ZEQQVPHPWOQRMJ-AEFFLSMTSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC2OCCO2)CC[N@H+]1Cc1ccccc1 ZINC000124584686 425927615 /nfs/dbraw/zinc/92/76/15/425927615.db2.gz ZEQQVPHPWOQRMJ-AEFFLSMTSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCC2OCCO2)CC[NH+]1Cc1ccccc1 ZINC000124584686 425927618 /nfs/dbraw/zinc/92/76/18/425927618.db2.gz ZEQQVPHPWOQRMJ-AEFFLSMTSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC2OCCO2)CC[NH+]1Cc1ccccc1 ZINC000124584686 425927619 /nfs/dbraw/zinc/92/76/19/425927619.db2.gz ZEQQVPHPWOQRMJ-AEFFLSMTSA-N 2 1 318.461 2.734 20 0 DFADMP Cc1cccc(C[NH+]2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000124706073 425934569 /nfs/dbraw/zinc/93/45/69/425934569.db2.gz LFDLHUCWYUUKQI-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP C[N@@H+](CCOc1cccc(Br)c1)C1CC[NH2+]CC1 ZINC000036300647 425845540 /nfs/dbraw/zinc/84/55/40/425845540.db2.gz XQZUDPITZDQBTN-UHFFFAOYSA-N 2 1 313.239 2.512 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000220785688 268141449 /nfs/dbraw/zinc/14/14/49/268141449.db2.gz LELVTZTVTQCALZ-HNNXBMFYSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000226313106 268143856 /nfs/dbraw/zinc/14/38/56/268143856.db2.gz UVWQYEJMJCKSPA-UHFFFAOYSA-N 2 1 313.486 2.706 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@H]1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000232503920 268147385 /nfs/dbraw/zinc/14/73/85/268147385.db2.gz AOWIHDXSBWERLN-INIZCTEOSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(C)CCC[NH2+]C2)c1 ZINC000236664781 268148243 /nfs/dbraw/zinc/14/82/43/268148243.db2.gz NIVNRONQVGGCJL-LJQANCHMSA-N 2 1 317.477 2.533 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236916550 268152684 /nfs/dbraw/zinc/15/26/84/268152684.db2.gz OXXZDTVCHACCGS-VCOSZWKGSA-N 2 1 323.868 2.575 20 0 DFADMP C[N@H+](CCc1ccc(Br)cc1)CC[C@H]1CC[NH2+]C1 ZINC000258861283 268168668 /nfs/dbraw/zinc/16/86/68/268168668.db2.gz ABYXBQIITMDLSC-CQSZACIVSA-N 2 1 311.267 2.923 20 0 DFADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268853597 268186018 /nfs/dbraw/zinc/18/60/18/268186018.db2.gz QIQNZJXZPPPASI-SJLPKXTDSA-N 2 1 320.477 2.829 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000269026410 268187555 /nfs/dbraw/zinc/18/75/55/268187555.db2.gz QPNQUGCBLCBCHK-IJEWVQPXSA-N 2 1 304.434 2.809 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000269026410 268187557 /nfs/dbraw/zinc/18/75/57/268187557.db2.gz QPNQUGCBLCBCHK-IJEWVQPXSA-N 2 1 304.434 2.809 20 0 DFADMP COCC[N@H+](CCCc1ccccc1)CCn1cc[nH+]c1C ZINC000270791917 268217569 /nfs/dbraw/zinc/21/75/69/268217569.db2.gz CKBUELJYKCECRP-UHFFFAOYSA-N 2 1 301.434 2.773 20 0 DFADMP COCC[N@@H+](CCCc1ccccc1)CCn1cc[nH+]c1C ZINC000270791917 268217571 /nfs/dbraw/zinc/21/75/71/268217571.db2.gz CKBUELJYKCECRP-UHFFFAOYSA-N 2 1 301.434 2.773 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289951597 268281406 /nfs/dbraw/zinc/28/14/06/268281406.db2.gz WOMCLDNRKBNZGY-NWDGAFQWSA-N 2 1 312.255 2.837 20 0 DFADMP C[N@H+](Cc1ccnn1-c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000279599745 268268709 /nfs/dbraw/zinc/26/87/09/268268709.db2.gz IIKNKFMFBJNNLI-UHFFFAOYSA-N 2 1 316.424 2.785 20 0 DFADMP CCC(C)(C)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562963 425875785 /nfs/dbraw/zinc/87/57/85/425875785.db2.gz LJTALOXTYCOKPA-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CCc1cc(NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000307774125 268333846 /nfs/dbraw/zinc/33/38/46/268333846.db2.gz RBWUHXPIIWKAPZ-LJQANCHMSA-N 2 1 311.429 2.957 20 0 DFADMP CCc1cc(NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000307774125 268333847 /nfs/dbraw/zinc/33/38/47/268333847.db2.gz RBWUHXPIIWKAPZ-LJQANCHMSA-N 2 1 311.429 2.957 20 0 DFADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000313123472 268339028 /nfs/dbraw/zinc/33/90/28/268339028.db2.gz STKYGTLNMPQHDT-MKXGPGLRSA-N 2 1 314.473 2.912 20 0 DFADMP C[N@@H+](Cc1ccc(Cl)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315672166 268343665 /nfs/dbraw/zinc/34/36/65/268343665.db2.gz ARHYGJDIQYBWSA-ROUUACIJSA-N 2 1 318.848 2.703 20 0 DFADMP C[N@H+](Cc1ccc(Cl)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315672166 268343667 /nfs/dbraw/zinc/34/36/67/268343667.db2.gz ARHYGJDIQYBWSA-ROUUACIJSA-N 2 1 318.848 2.703 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000323764753 268350408 /nfs/dbraw/zinc/35/04/08/268350408.db2.gz XBJLYDWDPCLYJV-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000333187872 268381044 /nfs/dbraw/zinc/38/10/44/268381044.db2.gz UECNHGZSKCIIBF-UMVBOHGHSA-N 2 1 304.438 2.515 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)ccc1F ZINC000049330358 425879184 /nfs/dbraw/zinc/87/91/84/425879184.db2.gz XHIHCRFHKWEYGM-UHFFFAOYSA-N 2 1 312.186 2.883 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccc(F)cc2)CC1 ZINC000124802059 425939210 /nfs/dbraw/zinc/93/92/10/425939210.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC000124802059 425939213 /nfs/dbraw/zinc/93/92/13/425939213.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000124802059 425939214 /nfs/dbraw/zinc/93/92/14/425939214.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124802059 425939218 /nfs/dbraw/zinc/93/92/18/425939218.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000124802059 425939219 /nfs/dbraw/zinc/93/92/19/425939219.db2.gz FCGIZVRZIJTKET-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000125756594 425988885 /nfs/dbraw/zinc/98/88/85/425988885.db2.gz WVYYJPMPUZECHU-AWEZNQCLSA-N 2 1 321.431 2.723 20 0 DFADMP Cc1cccc2c1CC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158877364 425949973 /nfs/dbraw/zinc/94/99/73/425949973.db2.gz ZZXWKXXDALYVQT-VQIMIIECSA-N 2 1 302.462 2.665 20 0 DFADMP CC[NH+]1CCC([NH2+]C2CCN(Cc3cccc(F)c3)CC2)CC1 ZINC000159258397 425957215 /nfs/dbraw/zinc/95/72/15/425957215.db2.gz AOBYRDIXIDDTPA-UHFFFAOYSA-N 2 1 319.468 2.864 20 0 DFADMP CCn1c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)nc2ccccc21 ZINC000105442734 425967523 /nfs/dbraw/zinc/96/75/23/425967523.db2.gz FVHCZCIIQWTEAR-CQSZACIVSA-N 2 1 311.433 2.987 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000125418091 425970700 /nfs/dbraw/zinc/97/07/00/425970700.db2.gz FQAPGUSJBBXVRF-WMZOPIPTSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000125418091 425970704 /nfs/dbraw/zinc/97/07/04/425970704.db2.gz FQAPGUSJBBXVRF-WMZOPIPTSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000125418091 425970706 /nfs/dbraw/zinc/97/07/06/425970706.db2.gz FQAPGUSJBBXVRF-WMZOPIPTSA-N 2 1 321.509 2.725 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000161588534 426030636 /nfs/dbraw/zinc/03/06/36/426030636.db2.gz WOKQWIWDFMMSKY-DOPJRALCSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161588534 426030640 /nfs/dbraw/zinc/03/06/40/426030640.db2.gz WOKQWIWDFMMSKY-DOPJRALCSA-N 2 1 301.434 2.922 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000126707745 426033003 /nfs/dbraw/zinc/03/30/03/426033003.db2.gz MJFZZMBKGQTRRO-WMLDXEAASA-N 2 1 309.417 2.930 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000161632841 426033179 /nfs/dbraw/zinc/03/31/79/426033179.db2.gz PNXOTNNCDGPZSQ-SZNDQCEHSA-N 2 1 308.491 2.949 20 0 DFADMP CC(C)[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000126743039 426034906 /nfs/dbraw/zinc/03/49/06/426034906.db2.gz BLVWDROCYYUZGL-FQEVSTJZSA-N 2 1 315.505 2.958 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000161688353 426035216 /nfs/dbraw/zinc/03/52/16/426035216.db2.gz MCMATZPLITWCGB-UHFFFAOYSA-N 2 1 304.434 2.781 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000161688353 426035219 /nfs/dbraw/zinc/03/52/19/426035219.db2.gz MCMATZPLITWCGB-UHFFFAOYSA-N 2 1 304.434 2.781 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161852244 426042318 /nfs/dbraw/zinc/04/23/18/426042318.db2.gz QYJRSLUMKRSRDR-ZBFHGGJFSA-N 2 1 304.434 2.668 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161852244 426042320 /nfs/dbraw/zinc/04/23/20/426042320.db2.gz QYJRSLUMKRSRDR-ZBFHGGJFSA-N 2 1 304.434 2.668 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000074257105 426043557 /nfs/dbraw/zinc/04/35/57/426043557.db2.gz JZXMYAXTDVXIGV-INIZCTEOSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)n1cnnc1[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161949930 426046990 /nfs/dbraw/zinc/04/69/90/426046990.db2.gz PAXPMBNFUQJUAP-QGZVFWFLSA-N 2 1 319.497 2.914 20 0 DFADMP CC(C)n1cnnc1[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161949930 426046993 /nfs/dbraw/zinc/04/69/93/426046993.db2.gz PAXPMBNFUQJUAP-QGZVFWFLSA-N 2 1 319.497 2.914 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000162131515 426053245 /nfs/dbraw/zinc/05/32/45/426053245.db2.gz ATJWCASFQYCELR-KRWDZBQOSA-N 2 1 304.482 2.551 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000162212771 426056823 /nfs/dbraw/zinc/05/68/23/426056823.db2.gz NBLSDHAGVFNQEU-SFHVURJKSA-N 2 1 321.465 2.632 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000075334741 426070894 /nfs/dbraw/zinc/07/08/94/426070894.db2.gz FLXQGLINPZIEMJ-QGZVFWFLSA-N 2 1 317.477 2.552 20 0 DFADMP C[N@H+](CCc1ccc2c(c1)CCO2)CC[C@H]1CCCC[NH+]1C ZINC000075860427 426087866 /nfs/dbraw/zinc/08/78/66/426087866.db2.gz MSRJACBVHBZMTA-GOSISDBHSA-N 2 1 302.462 2.970 20 0 DFADMP C[NH+](CCc1ccc2c(c1)CCO2)CC[C@H]1CCCC[N@@H+]1C ZINC000075860427 426087868 /nfs/dbraw/zinc/08/78/68/426087868.db2.gz MSRJACBVHBZMTA-GOSISDBHSA-N 2 1 302.462 2.970 20 0 DFADMP C[NH+](CCc1ccc2c(c1)CCO2)CC[C@H]1CCCC[N@H+]1C ZINC000075860427 426087871 /nfs/dbraw/zinc/08/78/71/426087871.db2.gz MSRJACBVHBZMTA-GOSISDBHSA-N 2 1 302.462 2.970 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000163217917 426094160 /nfs/dbraw/zinc/09/41/60/426094160.db2.gz HUBJROOUUKEGPK-IRXDYDNUSA-N 3 1 319.493 2.619 20 0 DFADMP CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000163217917 426094164 /nfs/dbraw/zinc/09/41/64/426094164.db2.gz HUBJROOUUKEGPK-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000163217917 426094167 /nfs/dbraw/zinc/09/41/67/426094167.db2.gz HUBJROOUUKEGPK-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000127939764 426094324 /nfs/dbraw/zinc/09/43/24/426094324.db2.gz JHBHSODZJZERCE-ROUUACIJSA-N 2 1 317.477 2.705 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243145 426094498 /nfs/dbraw/zinc/09/44/98/426094498.db2.gz PBPFUOKIIRJQIC-HOCLYGCPSA-N 2 1 304.434 2.840 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163772380 426108537 /nfs/dbraw/zinc/10/85/37/426108537.db2.gz NACFLYWGMPKBOB-LPHOPBHVSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000163772380 426108540 /nfs/dbraw/zinc/10/85/40/426108540.db2.gz NACFLYWGMPKBOB-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000128266834 426110434 /nfs/dbraw/zinc/11/04/34/426110434.db2.gz SFKIFWLRPPXFCT-ZVZYQTTQSA-N 2 1 306.450 2.580 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1F ZINC000128303228 426111665 /nfs/dbraw/zinc/11/16/65/426111665.db2.gz AUXJIGDYNCASDG-OAHLLOKOSA-N 2 1 323.456 2.513 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164085524 426112182 /nfs/dbraw/zinc/11/21/82/426112182.db2.gz LMXKUZRDNXYYES-MCIONIFRSA-N 2 1 313.486 2.608 20 0 DFADMP CCCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076428562 426112515 /nfs/dbraw/zinc/11/25/15/426112515.db2.gz QTHRFHHHBHZPKG-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000164591435 426115549 /nfs/dbraw/zinc/11/55/49/426115549.db2.gz SIOOCALZYRIRRB-JKSUJKDBSA-N 2 1 317.477 2.533 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000166057587 426125874 /nfs/dbraw/zinc/12/58/74/426125874.db2.gz JRFDZEOIIHPICE-RLFYNMQTSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000166330742 426127013 /nfs/dbraw/zinc/12/70/13/426127013.db2.gz IYVWDGMMYJXDNR-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000166330742 426127015 /nfs/dbraw/zinc/12/70/15/426127015.db2.gz IYVWDGMMYJXDNR-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000166330742 426127016 /nfs/dbraw/zinc/12/70/16/426127016.db2.gz IYVWDGMMYJXDNR-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP COCCOc1cc(C)ccc1CN[C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000167635468 426133232 /nfs/dbraw/zinc/13/32/32/426133232.db2.gz GBOUKCCCKFIMDE-BQFCYCMXSA-N 2 1 320.477 2.839 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000167635468 426133233 /nfs/dbraw/zinc/13/32/33/426133233.db2.gz GBOUKCCCKFIMDE-BQFCYCMXSA-N 2 1 320.477 2.839 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)C2)c1 ZINC000128792776 426133382 /nfs/dbraw/zinc/13/33/82/426133382.db2.gz DOHBTVCYGXGPRG-MDZRGWNJSA-N 2 1 317.477 2.594 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)C2)c1 ZINC000128792776 426133385 /nfs/dbraw/zinc/13/33/85/426133385.db2.gz DOHBTVCYGXGPRG-MDZRGWNJSA-N 2 1 317.477 2.594 20 0 DFADMP CCCCC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C(C)C ZINC000114455121 426136079 /nfs/dbraw/zinc/13/60/79/426136079.db2.gz XPDOHVREAJJEOV-UHFFFAOYSA-N 2 1 311.514 2.876 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccnc1 ZINC000112517423 426079624 /nfs/dbraw/zinc/07/96/24/426079624.db2.gz PHUGCOXGBLTLML-MRXNPFEDSA-N 2 1 311.429 2.765 20 0 DFADMP C[N@@H+](CCCN[C@H]1CC[NH+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000127692260 426080543 /nfs/dbraw/zinc/08/05/43/426080543.db2.gz UNXVRGYAUKRFQB-RBUKOAKNSA-N 3 1 301.478 2.725 20 0 DFADMP C[NH+](CCCN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000127692260 426080545 /nfs/dbraw/zinc/08/05/45/426080545.db2.gz UNXVRGYAUKRFQB-RBUKOAKNSA-N 3 1 301.478 2.725 20 0 DFADMP C[NH+](CCCN[C@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000127692260 426080548 /nfs/dbraw/zinc/08/05/48/426080548.db2.gz UNXVRGYAUKRFQB-RBUKOAKNSA-N 3 1 301.478 2.725 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135108582 426204864 /nfs/dbraw/zinc/20/48/64/426204864.db2.gz RMLQKCLCVXPYBP-KRWDZBQOSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000170644008 426141951 /nfs/dbraw/zinc/14/19/51/426141951.db2.gz PJWHNVWLURULKJ-UHFFFAOYSA-N 2 1 321.490 2.516 20 0 DFADMP Cn1ncc(Cl)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000130321491 426155076 /nfs/dbraw/zinc/15/50/76/426155076.db2.gz BHTDDQQEBIXYJF-UHFFFAOYSA-N 2 1 318.852 2.959 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135120362 426206816 /nfs/dbraw/zinc/20/68/16/426206816.db2.gz GIGWQZZOKYNPRQ-KRWDZBQOSA-N 2 1 317.477 2.703 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)CC)cc1)C(C)C ZINC000078678905 426180765 /nfs/dbraw/zinc/18/07/65/426180765.db2.gz GOZLFCZGDOLKNO-UHFFFAOYSA-N 2 1 305.466 2.598 20 0 DFADMP CC[NH+](C)CCNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000078678905 426180767 /nfs/dbraw/zinc/18/07/67/426180767.db2.gz GOZLFCZGDOLKNO-UHFFFAOYSA-N 2 1 305.466 2.598 20 0 DFADMP CC[NH+](C)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000078678905 426180771 /nfs/dbraw/zinc/18/07/71/426180771.db2.gz GOZLFCZGDOLKNO-UHFFFAOYSA-N 2 1 305.466 2.598 20 0 DFADMP C[NH+](C)CC[C@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000116232311 426183591 /nfs/dbraw/zinc/18/35/91/426183591.db2.gz KSKNQEQMZXVGQC-KRWDZBQOSA-N 2 1 319.493 2.601 20 0 DFADMP C[NH+](C)CC[C@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000116232311 426183593 /nfs/dbraw/zinc/18/35/93/426183593.db2.gz KSKNQEQMZXVGQC-KRWDZBQOSA-N 2 1 319.493 2.601 20 0 DFADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000134155663 426186103 /nfs/dbraw/zinc/18/61/03/426186103.db2.gz POMMPOCRGLWIMN-IEBWSBKVSA-N 2 1 307.526 2.842 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCn2cccn2)CC1 ZINC000171384288 426187686 /nfs/dbraw/zinc/18/76/86/426187686.db2.gz BDEMELFHBINDNS-UHFFFAOYSA-N 2 1 312.461 2.727 20 0 DFADMP C[N@H+](Cc1cncc(Br)c1)CC1CC[NH+](C)CC1 ZINC000134891310 426197923 /nfs/dbraw/zinc/19/79/23/426197923.db2.gz QBEGBVYNEWLNTJ-UHFFFAOYSA-N 2 1 312.255 2.618 20 0 DFADMP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134911148 426199151 /nfs/dbraw/zinc/19/91/51/426199151.db2.gz FVYGLUJEYNXFLD-MISYRCLQSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134911148 426199154 /nfs/dbraw/zinc/19/91/54/426199154.db2.gz FVYGLUJEYNXFLD-MISYRCLQSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134911148 426199158 /nfs/dbraw/zinc/19/91/58/426199158.db2.gz FVYGLUJEYNXFLD-MISYRCLQSA-N 2 1 314.473 2.539 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902150 426199302 /nfs/dbraw/zinc/19/93/02/426199302.db2.gz NBVRKNDZOYINQE-NVXWUHKLSA-N 2 1 308.466 2.669 20 0 DFADMP CCOC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902150 426199306 /nfs/dbraw/zinc/19/93/06/426199306.db2.gz NBVRKNDZOYINQE-NVXWUHKLSA-N 2 1 308.466 2.669 20 0 DFADMP CCOC(=O)CCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902150 426199310 /nfs/dbraw/zinc/19/93/10/426199310.db2.gz NBVRKNDZOYINQE-NVXWUHKLSA-N 2 1 308.466 2.669 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1n1ccnc1 ZINC000136085603 426234660 /nfs/dbraw/zinc/23/46/60/426234660.db2.gz KZYTVGHAZLNCFC-HOCLYGCPSA-N 2 1 313.401 2.737 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000136292822 426238765 /nfs/dbraw/zinc/23/87/65/426238765.db2.gz VNLTZHSHSCUDJA-UHFFFAOYSA-N 2 1 314.433 2.715 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000136292822 426238766 /nfs/dbraw/zinc/23/87/66/426238766.db2.gz VNLTZHSHSCUDJA-UHFFFAOYSA-N 2 1 314.433 2.715 20 0 DFADMP CC(C)[NH+](CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000173611544 426245026 /nfs/dbraw/zinc/24/50/26/426245026.db2.gz WDCDDHJBJBYWFV-GOSISDBHSA-N 2 1 319.493 2.914 20 0 DFADMP CSc1cc2c(cc1C[NH2+][C@H](C)CC[NH+](C)C)OCCO2 ZINC000086506567 426258683 /nfs/dbraw/zinc/25/86/83/426258683.db2.gz LHFCQIMZUIPYMD-GFCCVEGCSA-N 2 1 310.463 2.610 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119251736 426272155 /nfs/dbraw/zinc/27/21/55/426272155.db2.gz HKHQSYMSJARPNQ-GJYPPUQNSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccnc2Cl)C[C@H](C)O1 ZINC000171763428 426210208 /nfs/dbraw/zinc/21/02/08/426210208.db2.gz AJBMMSAVLZNHQC-OKILXGFUSA-N 2 1 311.857 2.714 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[N@@H+](C[C@@](C)(O)c2ccccc2)C1 ZINC000119436453 426288794 /nfs/dbraw/zinc/28/87/94/426288794.db2.gz SIKMPVUHOUACIA-VQIMIIECSA-N 2 1 313.445 2.582 20 0 DFADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000119483749 426292681 /nfs/dbraw/zinc/29/26/81/426292681.db2.gz KTTFSGQXGPPATK-INIZCTEOSA-N 2 1 302.422 2.776 20 0 DFADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000119513625 426293717 /nfs/dbraw/zinc/29/37/17/426293717.db2.gz CPVOSVUPNQEYGC-MRXNPFEDSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)(C)OC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000119513625 426293721 /nfs/dbraw/zinc/29/37/21/426293721.db2.gz CPVOSVUPNQEYGC-MRXNPFEDSA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000151664340 426307063 /nfs/dbraw/zinc/30/70/63/426307063.db2.gz NFEYTVSVUKJWOT-GXTWGEPZSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000151664340 426307065 /nfs/dbraw/zinc/30/70/65/426307065.db2.gz NFEYTVSVUKJWOT-GXTWGEPZSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000151664340 426307067 /nfs/dbraw/zinc/30/70/67/426307067.db2.gz NFEYTVSVUKJWOT-GXTWGEPZSA-N 2 1 308.397 2.527 20 0 DFADMP CCCC[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000120345103 426309774 /nfs/dbraw/zinc/30/97/74/426309774.db2.gz UIASDAVOXHHWGO-HNNXBMFYSA-N 2 1 313.486 2.754 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152054373 426324498 /nfs/dbraw/zinc/32/44/98/426324498.db2.gz HQPHASQCOHVLMF-QAPCUYQASA-N 2 1 320.452 2.804 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000121238563 426327220 /nfs/dbraw/zinc/32/72/20/426327220.db2.gz BGMOXBHYTJEGEV-VYDXJSESSA-N 2 1 300.450 2.745 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000121233321 426327902 /nfs/dbraw/zinc/32/79/02/426327902.db2.gz QNYGDPVGWWAIBM-LMMKCTJWSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000121233321 426327910 /nfs/dbraw/zinc/32/79/10/426327910.db2.gz QNYGDPVGWWAIBM-LMMKCTJWSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000121233321 426327912 /nfs/dbraw/zinc/32/79/12/426327912.db2.gz QNYGDPVGWWAIBM-LMMKCTJWSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC[C@@H]1CCC[NH+]1C ZINC000121365278 426337751 /nfs/dbraw/zinc/33/77/51/426337751.db2.gz YSPSOPZFQDKLMQ-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000121365278 426337755 /nfs/dbraw/zinc/33/77/55/426337755.db2.gz YSPSOPZFQDKLMQ-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000151119452 426279937 /nfs/dbraw/zinc/27/99/37/426279937.db2.gz XYJUZHAIFYSHKT-GJZGRUSLSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652452 426397389 /nfs/dbraw/zinc/39/73/89/426397389.db2.gz WHQOIFBNODZXPS-KEYYUXOJSA-N 2 1 316.424 2.830 20 0 DFADMP OC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153745985 426402815 /nfs/dbraw/zinc/40/28/15/426402815.db2.gz LRDUDVPXYXMGRS-QUCCMNQESA-N 2 1 316.489 2.834 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000153742524 426403242 /nfs/dbraw/zinc/40/32/42/426403242.db2.gz DPAFSEAFAXFJJT-AWEZNQCLSA-N 2 1 313.401 2.646 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176004054 426345737 /nfs/dbraw/zinc/34/57/37/426345737.db2.gz KSRXYVPEWIMOJJ-YOEHRIQHSA-N 2 1 318.465 2.552 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121496369 426347045 /nfs/dbraw/zinc/34/70/45/426347045.db2.gz FXSUCOZYZWFAEA-HIFRSBDPSA-N 2 1 322.415 2.886 20 0 DFADMP Cc1cnccc1NC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000122139152 426360105 /nfs/dbraw/zinc/36/01/05/426360105.db2.gz WMWSTCOHCVYXIT-RHSMWYFYSA-N 2 1 314.433 2.871 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnc2ccsc2c1 ZINC000153776229 426405686 /nfs/dbraw/zinc/40/56/86/426405686.db2.gz IGRMACQNKFTJAN-CYBMUJFWSA-N 2 1 307.463 2.915 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000153243012 426377360 /nfs/dbraw/zinc/37/73/60/426377360.db2.gz ICYJEILTNLFWJD-FUHWJXTLSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@H]1C[C@H](NCc2ccnc(OC3CCCC3)c2)CC[N@H+]1C ZINC000153333749 426380733 /nfs/dbraw/zinc/38/07/33/426380733.db2.gz IOYCAXGECWTCIQ-GOEBONIOSA-N 2 1 303.450 2.975 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000153784700 426406514 /nfs/dbraw/zinc/40/65/14/426406514.db2.gz SYQCHEJZICTURR-ZDUSSCGKSA-N 2 1 314.857 2.968 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(Cl)ccc1OC ZINC000153784700 426406517 /nfs/dbraw/zinc/40/65/17/426406517.db2.gz SYQCHEJZICTURR-ZDUSSCGKSA-N 2 1 314.857 2.968 20 0 DFADMP FC(F)(F)CCCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000153520818 426390109 /nfs/dbraw/zinc/39/01/09/426390109.db2.gz RRIPQUKMMRXGPG-AWEZNQCLSA-N 2 1 308.388 2.763 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3ccccc32)CC1 ZINC000154468813 426441217 /nfs/dbraw/zinc/44/12/17/426441217.db2.gz MODJDXICIMUSJH-LJQANCHMSA-N 2 1 301.478 2.681 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000154480088 426442738 /nfs/dbraw/zinc/44/27/38/426442738.db2.gz YWBFSOGFGPZZNB-KRWDZBQOSA-N 2 1 319.493 2.764 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154528829 426443979 /nfs/dbraw/zinc/44/39/79/426443979.db2.gz FXMPKJGDFKWODW-KRWDZBQOSA-N 2 1 319.493 2.764 20 0 DFADMP COCC[N@@H+](CCCOc1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340714177 269003133 /nfs/dbraw/zinc/00/31/33/269003133.db2.gz REOWMXHIRGZUTE-SFHVURJKSA-N 2 1 324.440 2.543 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000123778204 426452804 /nfs/dbraw/zinc/45/28/04/426452804.db2.gz XBEBQDFPGAXOFL-INIZCTEOSA-N 2 1 312.461 2.941 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+]C1CC[NH+](C)CC1 ZINC000177236685 426458795 /nfs/dbraw/zinc/45/87/95/426458795.db2.gz AXESATORBBMSHH-UHFFFAOYSA-N 2 1 312.461 2.797 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167037 426473751 /nfs/dbraw/zinc/47/37/51/426473751.db2.gz YNDVWOWOSZUSLX-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@@H+]1CC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000124167037 426473754 /nfs/dbraw/zinc/47/37/54/426473754.db2.gz YNDVWOWOSZUSLX-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000124167037 426473757 /nfs/dbraw/zinc/47/37/57/426473757.db2.gz YNDVWOWOSZUSLX-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000124167037 426473760 /nfs/dbraw/zinc/47/37/60/426473760.db2.gz YNDVWOWOSZUSLX-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177378471 426474070 /nfs/dbraw/zinc/47/40/70/426474070.db2.gz LEOPSXCVEMBJOP-OAHLLOKOSA-N 2 1 307.457 2.845 20 0 DFADMP CC[NH+]1CCC(N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272368570 426509683 /nfs/dbraw/zinc/50/96/83/426509683.db2.gz UIUYJMRREDYNDA-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000272476467 426536800 /nfs/dbraw/zinc/53/68/00/426536800.db2.gz IUOAQDHFVKIXNA-BGTYHANMSA-N 2 1 302.462 2.789 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000272476467 426536803 /nfs/dbraw/zinc/53/68/03/426536803.db2.gz IUOAQDHFVKIXNA-BGTYHANMSA-N 2 1 302.462 2.789 20 0 DFADMP Cc1nccn1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485136 426537786 /nfs/dbraw/zinc/53/77/86/426537786.db2.gz MMCKRRFTYYELSL-LPHOPBHVSA-N 2 1 312.461 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485136 426537790 /nfs/dbraw/zinc/53/77/90/426537790.db2.gz MMCKRRFTYYELSL-LPHOPBHVSA-N 3 1 312.461 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485136 426537794 /nfs/dbraw/zinc/53/77/94/426537794.db2.gz MMCKRRFTYYELSL-LPHOPBHVSA-N 3 1 312.461 2.692 20 0 DFADMP COCCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177494125 426489482 /nfs/dbraw/zinc/48/94/82/426489482.db2.gz MNWKYKQYKVGXLG-CALCHBBNSA-N 2 1 312.498 2.624 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000265106322 426582511 /nfs/dbraw/zinc/58/25/11/426582511.db2.gz AWAKBJOZQPTXRE-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000273053646 426584232 /nfs/dbraw/zinc/58/42/32/426584232.db2.gz KFAYQOOPNXKOJA-KRWDZBQOSA-N 2 1 319.493 2.682 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000289113780 426585396 /nfs/dbraw/zinc/58/53/96/426585396.db2.gz NEAJJLHAEGVFIV-IBGZPJMESA-N 2 1 320.477 2.623 20 0 DFADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc(C)c1O ZINC000289294773 426621499 /nfs/dbraw/zinc/62/14/99/426621499.db2.gz HMKJIKBVEMNLQJ-INIZCTEOSA-N 2 1 320.477 2.534 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000289224584 426608861 /nfs/dbraw/zinc/60/88/61/426608861.db2.gz LLKCWZVPBHIZHB-JFIYKMOQSA-N 2 1 317.477 2.561 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273198749 426613626 /nfs/dbraw/zinc/61/36/26/426613626.db2.gz IIAOWAKCNOFEGH-NVXWUHKLSA-N 2 1 317.477 2.544 20 0 DFADMP C[N@@H+](Cc1ccc(Br)s1)C[C@@H]1CCC[NH2+]C1 ZINC000226434873 426620067 /nfs/dbraw/zinc/62/00/67/426620067.db2.gz GTWPQUXSRLCKLR-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+](Cc1ccc(Br)s1)C[C@@H]1CCC[NH2+]C1 ZINC000226434873 426620071 /nfs/dbraw/zinc/62/00/71/426620071.db2.gz GTWPQUXSRLCKLR-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)c1cnn(C)c1 ZINC000272562493 426558150 /nfs/dbraw/zinc/55/81/50/426558150.db2.gz NXDIRDIXOXFNFD-JQERWDHBSA-N 2 1 324.472 2.981 20 0 DFADMP C[C@@H]([NH2+]CCNc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564262 426560641 /nfs/dbraw/zinc/56/06/41/426560641.db2.gz HANSSEMDMWMTBB-IEBWSBKVSA-N 2 1 324.472 2.994 20 0 DFADMP C[C@H]([NH2+]CCNc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564258 426560818 /nfs/dbraw/zinc/56/08/18/426560818.db2.gz HANSSEMDMWMTBB-HKUYNNGSSA-N 2 1 324.472 2.994 20 0 DFADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CCCc2cnccc2C)C1 ZINC000289344354 426631760 /nfs/dbraw/zinc/63/17/60/426631760.db2.gz MGXQPCDZKOJVAN-QGZVFWFLSA-N 2 1 317.477 2.951 20 0 DFADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCc2cnccc2C)C1 ZINC000289344353 426632488 /nfs/dbraw/zinc/63/24/88/426632488.db2.gz MGXQPCDZKOJVAN-KRWDZBQOSA-N 2 1 317.477 2.951 20 0 DFADMP CCC[N@@H+](CC1CC[NH2+]CC1)[C@H](C)C(=O)Nc1ccccc1 ZINC000236972301 426686202 /nfs/dbraw/zinc/68/62/02/426686202.db2.gz YTNNSRQBRUIESK-OAHLLOKOSA-N 2 1 303.450 2.725 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000178477957 426637222 /nfs/dbraw/zinc/63/72/22/426637222.db2.gz HJLJIAXDPDAXIR-PBHICJAKSA-N 2 1 303.450 2.853 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000178519360 426645547 /nfs/dbraw/zinc/64/55/47/426645547.db2.gz QAXBHYOTAOAHFG-CRAIPNDOSA-N 2 1 302.462 2.845 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000178511079 426646194 /nfs/dbraw/zinc/64/61/94/426646194.db2.gz HXBYOIBAEXOJHZ-GXZWQRSESA-N 2 1 308.491 2.807 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000178529925 426647643 /nfs/dbraw/zinc/64/76/43/426647643.db2.gz NVGCAMCIEJIPFK-HNNXBMFYSA-N 2 1 316.445 2.957 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ncccc2C)CC1 ZINC000289417018 426652800 /nfs/dbraw/zinc/65/28/00/426652800.db2.gz QBQXRADYMKVVJP-UHFFFAOYSA-N 2 1 314.433 2.828 20 0 DFADMP COc1cc2c(N[C@@H](C)C[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000280794591 426656382 /nfs/dbraw/zinc/65/63/82/426656382.db2.gz UZBVWKGIUZYCJS-LBPRGKRZSA-N 2 1 319.380 2.515 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CC(C)(C)[NH3+])cc2)C1 ZINC000178690624 426676189 /nfs/dbraw/zinc/67/61/89/426676189.db2.gz WZSPPQNYUHZDLO-OAHLLOKOSA-N 2 1 317.477 2.662 20 0 DFADMP [NH3+][C@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178752159 426687480 /nfs/dbraw/zinc/68/74/80/426687480.db2.gz JQTCGJKSPRDWKG-ROUUACIJSA-N 2 1 321.509 2.761 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000236727699 426679970 /nfs/dbraw/zinc/67/99/70/426679970.db2.gz WETAQYUEPWVGAY-SFHVURJKSA-N 2 1 317.477 2.534 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)cc2)CC1 ZINC000236759440 426684133 /nfs/dbraw/zinc/68/41/33/426684133.db2.gz GNYUBFMSRVVSGE-UHFFFAOYSA-N 2 1 304.434 2.827 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCCO2 ZINC000178411998 426624120 /nfs/dbraw/zinc/62/41/20/426624120.db2.gz AXQOVECQDWWLFR-KRWDZBQOSA-N 2 1 304.434 2.984 20 0 DFADMP Cc1c[nH+]ccc1OC1CCN(CC[NH+]2CCC(C)CC2)CC1 ZINC000289318035 426627724 /nfs/dbraw/zinc/62/77/24/426627724.db2.gz BWJJMSRNRVZHMU-UHFFFAOYSA-N 2 1 317.477 2.965 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000178441991 426630393 /nfs/dbraw/zinc/63/03/93/426630393.db2.gz PHTZFGQOZCURLR-GOSISDBHSA-N 2 1 315.461 2.821 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178845989 426706635 /nfs/dbraw/zinc/70/66/35/426706635.db2.gz QPJXHIGEFNLIFO-GDZNZVCISA-N 2 1 314.433 2.731 20 0 DFADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178845981 426707032 /nfs/dbraw/zinc/70/70/32/426707032.db2.gz QPJXHIGEFNLIFO-IIYDPXPESA-N 2 1 314.433 2.731 20 0 DFADMP C[C@H](CCNC(=O)C1(C[NH3+])CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000178857604 426707920 /nfs/dbraw/zinc/70/79/20/426707920.db2.gz AUKNYKGVJBZVDY-MRXNPFEDSA-N 2 1 317.477 2.532 20 0 DFADMP CSC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000187944113 426708977 /nfs/dbraw/zinc/70/89/77/426708977.db2.gz NFOCMYOIIGUPGG-RDJZCZTQSA-N 2 1 314.539 2.687 20 0 DFADMP OC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCCC1 ZINC000238138798 426711362 /nfs/dbraw/zinc/71/13/62/426711362.db2.gz SHZOOJPTLMDAOJ-UHFFFAOYSA-N 2 1 316.489 2.978 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000245791975 426771437 /nfs/dbraw/zinc/77/14/37/426771437.db2.gz NZKQYCIQSSWZJA-FGTMMUONSA-N 2 1 323.525 2.830 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn(C)nc1C(F)F ZINC000274451357 426772098 /nfs/dbraw/zinc/77/20/98/426772098.db2.gz FIMJICMXRMHWCS-CYBMUJFWSA-N 2 1 309.364 2.527 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn(C)nc1C(F)F ZINC000274451357 426772103 /nfs/dbraw/zinc/77/21/03/426772103.db2.gz FIMJICMXRMHWCS-CYBMUJFWSA-N 2 1 309.364 2.527 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290494832 426777851 /nfs/dbraw/zinc/77/78/51/426777851.db2.gz OUDAMHGLVPCEQF-MRXNPFEDSA-N 2 1 312.461 2.737 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccncc1 ZINC000290540072 426787013 /nfs/dbraw/zinc/78/70/13/426787013.db2.gz REPZLIPQTZLIGS-UHFFFAOYSA-N 2 1 315.465 2.646 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccncc1 ZINC000290540072 426787018 /nfs/dbraw/zinc/78/70/18/426787018.db2.gz REPZLIPQTZLIGS-UHFFFAOYSA-N 2 1 315.465 2.646 20 0 DFADMP COc1ccccc1-n1nccc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000281589582 426725444 /nfs/dbraw/zinc/72/54/44/426725444.db2.gz JHKKMXBGUWLNMX-UHFFFAOYSA-N 2 1 316.449 2.558 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000290262214 426729131 /nfs/dbraw/zinc/72/91/31/426729131.db2.gz VHDJRPUVDXFZLX-GOSISDBHSA-N 2 1 300.446 2.764 20 0 DFADMP O[C@@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000290292222 426733539 /nfs/dbraw/zinc/73/35/39/426733539.db2.gz NADPJOALKYYBRG-HKUYNNGSSA-N 2 1 302.462 2.918 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000245528333 426749173 /nfs/dbraw/zinc/74/91/73/426749173.db2.gz GCKVTHZLLWPQHF-QFBILLFUSA-N 2 1 302.462 2.948 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274346941 426749273 /nfs/dbraw/zinc/74/92/73/426749273.db2.gz JNHPZIRRQZSGQC-XLIONFOSSA-N 2 1 313.489 2.749 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000290359773 426749752 /nfs/dbraw/zinc/74/97/52/426749752.db2.gz GTTQDYIPGKPFSF-DOTOQJQBSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cn1 ZINC000290359773 426749754 /nfs/dbraw/zinc/74/97/54/426749754.db2.gz GTTQDYIPGKPFSF-DOTOQJQBSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000290359773 426749760 /nfs/dbraw/zinc/74/97/60/426749760.db2.gz GTTQDYIPGKPFSF-DOTOQJQBSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cn1 ZINC000290359773 426749763 /nfs/dbraw/zinc/74/97/63/426749763.db2.gz GTTQDYIPGKPFSF-DOTOQJQBSA-N 2 1 304.482 2.698 20 0 DFADMP C[N@H+](CCO)C1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000290369894 426751682 /nfs/dbraw/zinc/75/16/82/426751682.db2.gz HNMRSKYTZIAALC-UHFFFAOYSA-N 2 1 318.505 2.915 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+](CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000290369894 426751688 /nfs/dbraw/zinc/75/16/88/426751688.db2.gz HNMRSKYTZIAALC-UHFFFAOYSA-N 2 1 318.505 2.915 20 0 DFADMP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)O2 ZINC000245565495 426752527 /nfs/dbraw/zinc/75/25/27/426752527.db2.gz PPKNLAVFZBJNNY-IRCYLGDSSA-N 2 1 310.482 2.627 20 0 DFADMP COCCCN1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179118831 426754016 /nfs/dbraw/zinc/75/40/16/426754016.db2.gz ACQJKKJCSBDOTP-ZDUSSCGKSA-N 2 1 311.857 2.887 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(Cl)nc2)CC1 ZINC000179118831 426754022 /nfs/dbraw/zinc/75/40/22/426754022.db2.gz ACQJKKJCSBDOTP-ZDUSSCGKSA-N 2 1 311.857 2.887 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)[C@H](C)C1 ZINC000188522077 426758980 /nfs/dbraw/zinc/75/89/80/426758980.db2.gz VICXKZDIFXXNMO-HIFRSBDPSA-N 2 1 321.431 2.581 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000245694083 426764109 /nfs/dbraw/zinc/76/41/09/426764109.db2.gz QOWDXHAJBSSJQC-NVXWUHKLSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@H]1C ZINC000245694083 426764113 /nfs/dbraw/zinc/76/41/13/426764113.db2.gz QOWDXHAJBSSJQC-NVXWUHKLSA-N 2 1 320.481 2.551 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(N2CCCC2)nc1 ZINC000290591113 426799779 /nfs/dbraw/zinc/79/97/79/426799779.db2.gz VHFJULLXFFBQTQ-UHFFFAOYSA-N 2 1 304.482 2.846 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(N2CCCC2)nc1 ZINC000290591113 426799785 /nfs/dbraw/zinc/79/97/85/426799785.db2.gz VHFJULLXFFBQTQ-UHFFFAOYSA-N 2 1 304.482 2.846 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1c(C2CC2)nc2sccn12 ZINC000290603490 426802393 /nfs/dbraw/zinc/80/23/93/426802393.db2.gz WCCJZWXTSQMTAD-UHFFFAOYSA-N 2 1 315.446 2.992 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290610943 426805536 /nfs/dbraw/zinc/80/55/36/426805536.db2.gz WMYIKOFIVMYCDD-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H](O)CC(F)(F)F)C2)CC1 ZINC000188962154 426805669 /nfs/dbraw/zinc/80/56/69/426805669.db2.gz JYABPLGMFMQEGS-LSDHHAIUSA-N 2 1 322.415 2.744 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H](O)CC(F)(F)F)C2)CC1 ZINC000188962154 426805673 /nfs/dbraw/zinc/80/56/73/426805673.db2.gz JYABPLGMFMQEGS-LSDHHAIUSA-N 2 1 322.415 2.744 20 0 DFADMP O[C@@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000189098394 426818516 /nfs/dbraw/zinc/81/85/16/426818516.db2.gz JGUFQKCMSSEHPF-HUUCEWRRSA-N 2 1 322.415 2.888 20 0 DFADMP O[C@@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000189098394 426818523 /nfs/dbraw/zinc/81/85/23/426818523.db2.gz JGUFQKCMSSEHPF-HUUCEWRRSA-N 2 1 322.415 2.888 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246371175 426825603 /nfs/dbraw/zinc/82/56/03/426825603.db2.gz OABYRMVKAHSGPY-NVXWUHKLSA-N 2 1 317.477 2.703 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246375422 426825994 /nfs/dbraw/zinc/82/59/94/426825994.db2.gz HWPCHTKNVOMSSS-XMTFNYHQSA-N 2 1 323.525 2.732 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246375422 426825997 /nfs/dbraw/zinc/82/59/97/426825997.db2.gz HWPCHTKNVOMSSS-XMTFNYHQSA-N 2 1 323.525 2.732 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246375422 426826002 /nfs/dbraw/zinc/82/60/02/426826002.db2.gz HWPCHTKNVOMSSS-XMTFNYHQSA-N 2 1 323.525 2.732 20 0 DFADMP c1ccc2c(c1)CO[C@]21CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189222141 426830011 /nfs/dbraw/zinc/83/00/11/426830011.db2.gz YDXXKZYLJGCPGV-IBGZPJMESA-N 2 1 300.446 2.994 20 0 DFADMP c1ccc2c(c1)CO[C@]21CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000189222141 426830016 /nfs/dbraw/zinc/83/00/16/426830016.db2.gz YDXXKZYLJGCPGV-IBGZPJMESA-N 2 1 300.446 2.994 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274758195 426832157 /nfs/dbraw/zinc/83/21/57/426832157.db2.gz JMEJZJNGOBVADA-JENIJYKNSA-N 2 1 304.478 2.895 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246441779 426833254 /nfs/dbraw/zinc/83/32/54/426833254.db2.gz OPDUZRMXADZZNK-KKUMJFAQSA-N 2 1 313.486 2.610 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1(C)C ZINC000282129021 426836134 /nfs/dbraw/zinc/83/61/34/426836134.db2.gz BHXWRBKZEFRSNA-GOSISDBHSA-N 2 1 316.493 2.538 20 0 DFADMP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246468658 426836945 /nfs/dbraw/zinc/83/69/45/426836945.db2.gz FVYGLUJEYNXFLD-RLLQIKCJSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246468658 426836949 /nfs/dbraw/zinc/83/69/49/426836949.db2.gz FVYGLUJEYNXFLD-RLLQIKCJSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246468658 426836956 /nfs/dbraw/zinc/83/69/56/426836956.db2.gz FVYGLUJEYNXFLD-RLLQIKCJSA-N 2 1 314.473 2.539 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000274790024 426838290 /nfs/dbraw/zinc/83/82/90/426838290.db2.gz NRMGJRXSAGHVKP-WBMJQRKESA-N 2 1 314.832 2.786 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000274790024 426838292 /nfs/dbraw/zinc/83/82/92/426838292.db2.gz NRMGJRXSAGHVKP-WBMJQRKESA-N 2 1 314.832 2.786 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000274790024 426838295 /nfs/dbraw/zinc/83/82/95/426838295.db2.gz NRMGJRXSAGHVKP-WBMJQRKESA-N 2 1 314.832 2.786 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000274790024 426838300 /nfs/dbraw/zinc/83/83/00/426838300.db2.gz NRMGJRXSAGHVKP-WBMJQRKESA-N 2 1 314.832 2.786 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246499382 426838889 /nfs/dbraw/zinc/83/88/89/426838889.db2.gz SLGMYTWHEOTQEK-RLFYNMQTSA-N 2 1 320.477 2.955 20 0 DFADMP CC[NH+]1CCC(NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000274824317 426843491 /nfs/dbraw/zinc/84/34/91/426843491.db2.gz ZFEXLEFKCFGZRF-HXUWFJFHSA-N 2 1 315.505 2.971 20 0 DFADMP CCOC(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274834478 426847457 /nfs/dbraw/zinc/84/74/57/426847457.db2.gz NCLYBMRCIPDLGC-AEFFLSMTSA-N 2 1 318.461 2.830 20 0 DFADMP CCOC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274834478 426847460 /nfs/dbraw/zinc/84/74/60/426847460.db2.gz NCLYBMRCIPDLGC-AEFFLSMTSA-N 2 1 318.461 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCC[NH+]1C ZINC000274872210 426855985 /nfs/dbraw/zinc/85/59/85/426855985.db2.gz XOURHFOZQOASSY-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000274872210 426855991 /nfs/dbraw/zinc/85/59/91/426855991.db2.gz XOURHFOZQOASSY-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCC[N@H+]1C ZINC000274872210 426855995 /nfs/dbraw/zinc/85/59/95/426855995.db2.gz XOURHFOZQOASSY-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000290553582 426792759 /nfs/dbraw/zinc/79/27/59/426792759.db2.gz RXODVQBSVAPOKJ-HNNXBMFYSA-N 2 1 302.418 2.579 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553563 426792893 /nfs/dbraw/zinc/79/28/93/426792893.db2.gz RXIJZXDKTIBQQN-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553563 426792899 /nfs/dbraw/zinc/79/28/99/426792899.db2.gz RXIJZXDKTIBQQN-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553563 426792903 /nfs/dbraw/zinc/79/29/03/426792903.db2.gz RXIJZXDKTIBQQN-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478771 426793289 /nfs/dbraw/zinc/79/32/89/426793289.db2.gz ODYGXZAEVYLAML-FMKPAKJESA-N 2 1 314.433 2.912 20 0 DFADMP COc1cccc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000247273398 426920794 /nfs/dbraw/zinc/92/07/94/426920794.db2.gz WPLDZAHKFZKMHL-HZPDHXFCSA-N 2 1 320.477 2.781 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000247242998 426921316 /nfs/dbraw/zinc/92/13/16/426921316.db2.gz SMCXKMIFVAWQPR-HUUCEWRRSA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000247242998 426921321 /nfs/dbraw/zinc/92/13/21/426921321.db2.gz SMCXKMIFVAWQPR-HUUCEWRRSA-N 2 1 320.481 2.776 20 0 DFADMP CC[N@@H+](CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000274954593 426861389 /nfs/dbraw/zinc/86/13/89/426861389.db2.gz VPTTVRDVSFFGIB-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954593 426861396 /nfs/dbraw/zinc/86/13/96/426861396.db2.gz VPTTVRDVSFFGIB-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954593 426861399 /nfs/dbraw/zinc/86/13/99/426861399.db2.gz VPTTVRDVSFFGIB-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954593 426861405 /nfs/dbraw/zinc/86/14/05/426861405.db2.gz VPTTVRDVSFFGIB-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954593 426861410 /nfs/dbraw/zinc/86/14/10/426861410.db2.gz VPTTVRDVSFFGIB-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290880763 426862411 /nfs/dbraw/zinc/86/24/11/426862411.db2.gz LZUHLAMIIKGOJN-AWEZNQCLSA-N 2 1 301.438 2.702 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246802451 426866323 /nfs/dbraw/zinc/86/63/23/426866323.db2.gz AEWCKCUZRREUIM-RLFYNMQTSA-N 2 1 306.450 2.782 20 0 DFADMP CN1CCC([N@@H+](CCO)[C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189502535 426870918 /nfs/dbraw/zinc/87/09/18/426870918.db2.gz HHAJNPGACOIQND-WOJBJXKFSA-N 2 1 316.489 2.885 20 0 DFADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275574668 426872151 /nfs/dbraw/zinc/87/21/51/426872151.db2.gz OPGKLMULVZNODK-LBPRGKRZSA-N 2 1 321.856 2.746 20 0 DFADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000246879738 426874814 /nfs/dbraw/zinc/87/48/14/426874814.db2.gz FTQWBDFEECVNCO-HZPDHXFCSA-N 2 1 312.498 2.765 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(F)c1 ZINC000282309672 426878279 /nfs/dbraw/zinc/87/82/79/426878279.db2.gz MWIQFBFUBBWRQF-AWEZNQCLSA-N 2 1 323.456 2.511 20 0 DFADMP Cc1cccc(N2CCC([NH2+]C3CC(OC(C)C)C3)CC2)[nH+]1 ZINC000189536026 426883693 /nfs/dbraw/zinc/88/36/93/426883693.db2.gz YAIYBYIGXXHQBW-UHFFFAOYSA-N 2 1 303.450 2.904 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246981268 426885228 /nfs/dbraw/zinc/88/52/28/426885228.db2.gz JRFDZEOIIHPICE-RVKKMQEKSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000305154698 426888434 /nfs/dbraw/zinc/88/84/34/426888434.db2.gz VKMIBLMFJXVAQU-APWZRJJASA-N 2 1 312.457 2.719 20 0 DFADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000282349980 426889271 /nfs/dbraw/zinc/88/92/71/426889271.db2.gz PERKBGFSPBQXSD-QGZVFWFLSA-N 2 1 307.457 2.892 20 0 DFADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282347804 426890191 /nfs/dbraw/zinc/89/01/91/426890191.db2.gz PCNCQWKAVUXMAD-MRXNPFEDSA-N 2 1 319.493 2.680 20 0 DFADMP c1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccn1 ZINC000275690957 426896383 /nfs/dbraw/zinc/89/63/83/426896383.db2.gz WYGLXIFEBBGNSA-VSZNYVQBSA-N 2 1 301.434 2.518 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCSc3ccccc32)CC1(C)C ZINC000282387793 426897412 /nfs/dbraw/zinc/89/74/12/426897412.db2.gz RAMLCLNHULMFEW-INIZCTEOSA-N 2 1 319.518 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C)c2ccccc2F)[C@@H](C)C1 ZINC000247121052 426905546 /nfs/dbraw/zinc/90/55/46/426905546.db2.gz RDRDMIHIZAHOAB-RDJZCZTQSA-N 2 1 307.457 2.972 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305272965 426905994 /nfs/dbraw/zinc/90/59/94/426905994.db2.gz AJSFBQOEFUODLU-JCHJZTRSSA-N 2 1 302.462 2.758 20 0 DFADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000247148421 426906752 /nfs/dbraw/zinc/90/67/52/426906752.db2.gz WTTBMLOZKOXUAE-IIAWOOMASA-N 2 1 323.506 2.587 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000247159120 426911703 /nfs/dbraw/zinc/91/17/03/426911703.db2.gz XRTJYGJZVRRXQE-RBUKOAKNSA-N 2 1 304.478 2.954 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000247193072 426912618 /nfs/dbraw/zinc/91/26/18/426912618.db2.gz VWRLJOJIPBGAMI-SCTDSRPQSA-N 2 1 301.478 2.833 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000305807291 426913239 /nfs/dbraw/zinc/91/32/39/426913239.db2.gz ZPQQXDQNEKCPSQ-ZMYBRWDISA-N 2 1 300.446 2.593 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000305807291 426913247 /nfs/dbraw/zinc/91/32/47/426913247.db2.gz ZPQQXDQNEKCPSQ-ZMYBRWDISA-N 2 1 300.446 2.593 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000316681064 426948419 /nfs/dbraw/zinc/94/84/19/426948419.db2.gz ZAMDQQKWKLLLGW-MSOLQXFVSA-N 2 1 300.446 2.628 20 0 DFADMP C[C@@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C[NH+](C)C ZINC000291674926 426948808 /nfs/dbraw/zinc/94/88/08/426948808.db2.gz GZYIQHDQDFEXIT-INIZCTEOSA-N 2 1 321.484 2.620 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000275935307 426952485 /nfs/dbraw/zinc/95/24/85/426952485.db2.gz YBYWBXLJILWIQJ-MRXNPFEDSA-N 2 1 320.452 2.991 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000181616571 426967459 /nfs/dbraw/zinc/96/74/59/426967459.db2.gz BDUDBXYGHWVGAU-XMTFNYHQSA-N 2 1 324.509 2.813 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295462864 426970362 /nfs/dbraw/zinc/97/03/62/426970362.db2.gz QGOYARODBZICAO-AWEZNQCLSA-N 2 1 301.434 2.845 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000248046802 426975080 /nfs/dbraw/zinc/97/50/80/426975080.db2.gz VJZJJRLEVKAFEI-WMZOPIPTSA-N 2 1 301.478 2.759 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248217353 426985321 /nfs/dbraw/zinc/98/53/21/426985321.db2.gz ZWEVVUCCPNSOPE-MLHJIOFPSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000248217353 426985328 /nfs/dbraw/zinc/98/53/28/426985328.db2.gz ZWEVVUCCPNSOPE-MLHJIOFPSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000248217353 426985332 /nfs/dbraw/zinc/98/53/32/426985332.db2.gz ZWEVVUCCPNSOPE-MLHJIOFPSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248217353 426985338 /nfs/dbraw/zinc/98/53/38/426985338.db2.gz ZWEVVUCCPNSOPE-MLHJIOFPSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000181904206 426992043 /nfs/dbraw/zinc/99/20/43/426992043.db2.gz NARICMOPAZOTLO-MRXNPFEDSA-N 2 1 310.482 2.916 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000314699360 426930280 /nfs/dbraw/zinc/93/02/80/426930280.db2.gz JMZMEVPETMNKAC-PBHICJAKSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000314699360 426930283 /nfs/dbraw/zinc/93/02/83/426930283.db2.gz JMZMEVPETMNKAC-PBHICJAKSA-N 2 1 304.434 2.668 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000314692120 426932107 /nfs/dbraw/zinc/93/21/07/426932107.db2.gz IOZAZAIIFWGMOD-CVEARBPZSA-N 2 1 303.450 2.671 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000314821099 426932764 /nfs/dbraw/zinc/93/27/64/426932764.db2.gz ZHGFFIJFNBHSGU-YJBOKZPZSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000314821099 426932770 /nfs/dbraw/zinc/93/27/70/426932770.db2.gz ZHGFFIJFNBHSGU-YJBOKZPZSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC[N@@H+]1C ZINC000181327115 426939017 /nfs/dbraw/zinc/93/90/17/426939017.db2.gz PGIGKFMQWWARTO-YPMHNXCESA-N 2 1 317.355 2.552 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC[N@H+]1C ZINC000181327115 426939025 /nfs/dbraw/zinc/93/90/25/426939025.db2.gz PGIGKFMQWWARTO-YPMHNXCESA-N 2 1 317.355 2.552 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248413952 426998007 /nfs/dbraw/zinc/99/80/07/426998007.db2.gz MBEMJSNVAZOCAI-IYWMVGAKSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248500769 427006303 /nfs/dbraw/zinc/00/63/03/427006303.db2.gz SSSOOKCXDAVXFA-DLBZAZTESA-N 2 1 309.498 2.630 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000248608859 427021748 /nfs/dbraw/zinc/02/17/48/427021748.db2.gz HBLRSAGPCDPOTP-NJAFHUGGSA-N 2 1 316.445 2.625 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000276275279 427023342 /nfs/dbraw/zinc/02/33/42/427023342.db2.gz SQSTUAIBSOJEIT-SJLPKXTDSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000276275279 427023350 /nfs/dbraw/zinc/02/33/50/427023350.db2.gz SQSTUAIBSOJEIT-SJLPKXTDSA-N 2 1 305.466 2.617 20 0 DFADMP CCC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[NH+](C)C ZINC000337903486 427031005 /nfs/dbraw/zinc/03/10/05/427031005.db2.gz LAVNVRMKBZHLEY-CVEARBPZSA-N 2 1 311.514 2.734 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CCCc2nc(Cl)ccc21)CN1CCCCC1 ZINC000296001648 427041890 /nfs/dbraw/zinc/04/18/90/427041890.db2.gz OHEJLSNQVMPWIB-ZFWWWQNUSA-N 2 1 323.868 2.549 20 0 DFADMP Cc1ncsc1C[N@@H+]1CC[C@@H](Oc2cccnc2N(C)C)C1 ZINC000296013879 427047131 /nfs/dbraw/zinc/04/71/31/427047131.db2.gz QRTYCJHRGOAJKG-CYBMUJFWSA-N 2 1 318.446 2.566 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](CNc2ccccn2)C1 ZINC000268545119 427047544 /nfs/dbraw/zinc/04/75/44/427047544.db2.gz LYQOLZHNHOIXEJ-DLBZAZTESA-N 2 1 302.466 2.690 20 0 DFADMP CN1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000268545119 427047565 /nfs/dbraw/zinc/04/75/65/427047565.db2.gz LYQOLZHNHOIXEJ-DLBZAZTESA-N 3 1 302.466 2.690 20 0 DFADMP CN1CCCC[C@@H]1CC[N@H+]1CC[C@@H](CNc2ccccn2)C1 ZINC000268545119 427047573 /nfs/dbraw/zinc/04/75/73/427047573.db2.gz LYQOLZHNHOIXEJ-DLBZAZTESA-N 3 1 302.466 2.690 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248836676 427051510 /nfs/dbraw/zinc/05/15/10/427051510.db2.gz DEHNEPPIGZXATQ-JZXOWHBKSA-N 2 1 317.477 2.625 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000337947195 427054873 /nfs/dbraw/zinc/05/48/73/427054873.db2.gz AJMKVDGMQXZSTD-UHFFFAOYSA-N 2 1 301.438 2.611 20 0 DFADMP CC(C)n1ncc2cc(CN3CC[C@]4(CC[N@@H+](C)C4)C3)cnc21 ZINC000292037603 427065826 /nfs/dbraw/zinc/06/58/26/427065826.db2.gz ABNCBHRCGFXMFS-SFHVURJKSA-N 2 1 313.449 2.540 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)C1 ZINC000296081992 427070538 /nfs/dbraw/zinc/07/05/38/427070538.db2.gz QOIUORJHPUDQMX-AWEZNQCLSA-N 2 1 301.434 2.738 20 0 DFADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000337990308 427080024 /nfs/dbraw/zinc/08/00/24/427080024.db2.gz AYLCCTYDHSWDRD-SWLSCSKDSA-N 2 1 318.383 2.539 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249083130 427084596 /nfs/dbraw/zinc/08/45/96/427084596.db2.gz AUSHVGANJJFQNA-CABCVRRESA-N 2 1 321.431 2.725 20 0 DFADMP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000338002919 427087678 /nfs/dbraw/zinc/08/76/78/427087678.db2.gz SSDWUOKPPAZSFT-HMDCTGQHSA-N 2 1 309.498 2.627 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1 ZINC000268697100 427094228 /nfs/dbraw/zinc/09/42/28/427094228.db2.gz CMKWVJCFDQNHKI-CQSZACIVSA-N 2 1 306.454 2.819 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000249201982 427099198 /nfs/dbraw/zinc/09/91/98/427099198.db2.gz UEHWKYUYKDTUNW-WBVHZDCISA-N 2 1 308.441 2.583 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290033 427104675 /nfs/dbraw/zinc/10/46/75/427104675.db2.gz MFZRKFDATTYEFK-NWDGAFQWSA-N 2 1 314.367 2.566 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290033 427104680 /nfs/dbraw/zinc/10/46/80/427104680.db2.gz MFZRKFDATTYEFK-NWDGAFQWSA-N 2 1 314.367 2.566 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290033 427104684 /nfs/dbraw/zinc/10/46/84/427104684.db2.gz MFZRKFDATTYEFK-NWDGAFQWSA-N 2 1 314.367 2.566 20 0 DFADMP C[C@@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)N(C)C ZINC000283943295 427105546 /nfs/dbraw/zinc/10/55/46/427105546.db2.gz FMFLJYAXXWYZSI-IVMQYODDSA-N 2 1 303.494 2.969 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC000249385580 427109266 /nfs/dbraw/zinc/10/92/66/427109266.db2.gz QZJSSZYPZJIDIM-HNAYVOBHSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC000249385580 427109272 /nfs/dbraw/zinc/10/92/72/427109272.db2.gz QZJSSZYPZJIDIM-HNAYVOBHSA-N 2 1 319.493 2.925 20 0 DFADMP C[C@@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338053792 427117879 /nfs/dbraw/zinc/11/78/79/427117879.db2.gz IXRFJZWXQUEKKT-BBWFWOEESA-N 2 1 323.525 2.971 20 0 DFADMP C[C@@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338053792 427117885 /nfs/dbraw/zinc/11/78/85/427117885.db2.gz IXRFJZWXQUEKKT-BBWFWOEESA-N 2 1 323.525 2.971 20 0 DFADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338053792 427117892 /nfs/dbraw/zinc/11/78/92/427117892.db2.gz IXRFJZWXQUEKKT-BBWFWOEESA-N 2 1 323.525 2.971 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000268799115 427122813 /nfs/dbraw/zinc/12/28/13/427122813.db2.gz XQUJMBWKTSCAKO-SNRMKQJTSA-N 2 1 318.461 2.989 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000268799115 427122819 /nfs/dbraw/zinc/12/28/19/427122819.db2.gz XQUJMBWKTSCAKO-SNRMKQJTSA-N 2 1 318.461 2.989 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268825500 427132367 /nfs/dbraw/zinc/13/23/67/427132367.db2.gz JACOWZUDZMXSNW-CVEARBPZSA-N 2 1 320.477 2.624 20 0 DFADMP C[C@H](C(=O)NCc1ccccc1C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249737641 427142376 /nfs/dbraw/zinc/14/23/76/427142376.db2.gz GQOQFAROCPIVAU-OWCLPIDISA-N 2 1 317.477 2.626 20 0 DFADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000284142385 427143506 /nfs/dbraw/zinc/14/35/06/427143506.db2.gz OVHKNILALBDTOR-SLFFLAALSA-N 2 1 314.473 2.958 20 0 DFADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000284142385 427143513 /nfs/dbraw/zinc/14/35/13/427143513.db2.gz OVHKNILALBDTOR-SLFFLAALSA-N 2 1 314.473 2.958 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292245224 427145354 /nfs/dbraw/zinc/14/53/54/427145354.db2.gz XCMBRPLUBVMHGL-KRWDZBQOSA-N 2 1 321.852 2.696 20 0 DFADMP C[N@@H+](CCCn1ccnc1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000182803937 427150012 /nfs/dbraw/zinc/15/00/12/427150012.db2.gz WMKBYJYSFGRQHD-LJQANCHMSA-N 2 1 312.461 2.727 20 0 DFADMP C[NH+](CCCn1ccnc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000182803937 427150018 /nfs/dbraw/zinc/15/00/18/427150018.db2.gz WMKBYJYSFGRQHD-LJQANCHMSA-N 2 1 312.461 2.727 20 0 DFADMP C[NH+](CCCn1ccnc1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000182803937 427150025 /nfs/dbraw/zinc/15/00/25/427150025.db2.gz WMKBYJYSFGRQHD-LJQANCHMSA-N 2 1 312.461 2.727 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)[nH+]1 ZINC000249921331 427150716 /nfs/dbraw/zinc/15/07/16/427150716.db2.gz YTVATWMJOFSPSU-FUHWJXTLSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)[nH+]1 ZINC000249921331 427150724 /nfs/dbraw/zinc/15/07/24/427150724.db2.gz YTVATWMJOFSPSU-FUHWJXTLSA-N 2 1 311.429 2.857 20 0 DFADMP CN1c2ccc(C[N@@H+]3CCC[C@H]([NH+](C)C)CC3)cc2CCC1=O ZINC000277289853 427155291 /nfs/dbraw/zinc/15/52/91/427155291.db2.gz AOKNUTMHEVEOCX-KRWDZBQOSA-N 2 1 315.461 2.512 20 0 DFADMP CN1c2ccc(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2CCC1=O ZINC000277289853 427155296 /nfs/dbraw/zinc/15/52/96/427155296.db2.gz AOKNUTMHEVEOCX-KRWDZBQOSA-N 2 1 315.461 2.512 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000156806625 271062058 /nfs/dbraw/zinc/06/20/58/271062058.db2.gz NOMRLNSBZNESEN-KRWDZBQOSA-N 2 1 301.434 2.624 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000156806625 271062064 /nfs/dbraw/zinc/06/20/64/271062064.db2.gz NOMRLNSBZNESEN-KRWDZBQOSA-N 2 1 301.434 2.624 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCC[N@H+]1C ZINC000156806755 271062932 /nfs/dbraw/zinc/06/29/32/271062932.db2.gz NOMRLNSBZNESEN-QGZVFWFLSA-N 2 1 301.434 2.624 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H]1CCC[N@@H+]1C ZINC000156806755 271062934 /nfs/dbraw/zinc/06/29/34/271062934.db2.gz NOMRLNSBZNESEN-QGZVFWFLSA-N 2 1 301.434 2.624 20 0 DFADMP C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000165005589 271094423 /nfs/dbraw/zinc/09/44/23/271094423.db2.gz URWPHYXLILXWHM-YJBOKZPZSA-N 2 1 317.477 2.703 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000174120153 271127630 /nfs/dbraw/zinc/12/76/30/271127630.db2.gz ADQRUICJLJALLW-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)n1ccnc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000174241445 271134514 /nfs/dbraw/zinc/13/45/14/271134514.db2.gz MWEHMRNTKYIRLZ-UHFFFAOYSA-N 2 1 320.481 2.541 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688789 271204356 /nfs/dbraw/zinc/20/43/56/271204356.db2.gz MFZRKFDATTYEFK-VXGBXAGGSA-N 2 1 314.367 2.566 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688789 271204359 /nfs/dbraw/zinc/20/43/59/271204359.db2.gz MFZRKFDATTYEFK-VXGBXAGGSA-N 2 1 314.367 2.566 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688789 271204364 /nfs/dbraw/zinc/20/43/64/271204364.db2.gz MFZRKFDATTYEFK-VXGBXAGGSA-N 2 1 314.367 2.566 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2c1OCCCO2 ZINC000264382594 271273211 /nfs/dbraw/zinc/27/32/11/271273211.db2.gz OYYRGEPDOJMWKF-CQSZACIVSA-N 2 1 315.417 2.779 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(Cc2occc2C(=O)OC)C1 ZINC000264404266 271274248 /nfs/dbraw/zinc/27/42/48/271274248.db2.gz WKRBWWYKEFEEQL-CYBMUJFWSA-N 2 1 317.389 2.662 20 0 DFADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000266117590 271284456 /nfs/dbraw/zinc/28/44/56/271284456.db2.gz IKUVFHBYSWJJDZ-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000266117590 271284458 /nfs/dbraw/zinc/28/44/58/271284458.db2.gz IKUVFHBYSWJJDZ-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CN(CCC[N@@H+](C)C[C@](C)(O)c1ccccc1)Cc1ccco1 ZINC000285839665 271343122 /nfs/dbraw/zinc/34/31/22/271343122.db2.gz XGZWHJCSZORRDA-IBGZPJMESA-N 2 1 316.445 2.941 20 0 DFADMP C[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000285388708 427217477 /nfs/dbraw/zinc/21/74/77/427217477.db2.gz DJWABRPOYWMPAQ-SJLPKXTDSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000284311808 427177142 /nfs/dbraw/zinc/17/71/42/427177142.db2.gz PFRIQMIXOXKKMW-IBGZPJMESA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000284317311 427182180 /nfs/dbraw/zinc/18/21/80/427182180.db2.gz JVRVJDNIBMEZLW-WMZOPIPTSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000284317311 427182185 /nfs/dbraw/zinc/18/21/85/427182185.db2.gz JVRVJDNIBMEZLW-WMZOPIPTSA-N 2 1 302.462 2.934 20 0 DFADMP CCn1ccnc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000296452953 427184966 /nfs/dbraw/zinc/18/49/66/427184966.db2.gz MWKHOGOXQGSTPY-OAHLLOKOSA-N 2 1 316.449 2.694 20 0 DFADMP c1ccc(C[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cccnc2)nc1 ZINC000338195011 427187438 /nfs/dbraw/zinc/18/74/38/427187438.db2.gz KDGTZMVSVCFIOW-OXQOHEQNSA-N 2 1 322.456 2.834 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000338201054 427189358 /nfs/dbraw/zinc/18/93/58/427189358.db2.gz YFASCWTWAFDBIR-FUHWJXTLSA-N 2 1 312.461 2.810 20 0 DFADMP Cc1cn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c(C)nc2s1 ZINC000252667335 427194370 /nfs/dbraw/zinc/19/43/70/427194370.db2.gz IVZURECQSCLTIH-KGLIPLIRSA-N 2 1 304.463 2.729 20 0 DFADMP Cc1cn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c(C)nc2s1 ZINC000252667335 427194376 /nfs/dbraw/zinc/19/43/76/427194376.db2.gz IVZURECQSCLTIH-KGLIPLIRSA-N 2 1 304.463 2.729 20 0 DFADMP Cc1nnc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292767135 427197945 /nfs/dbraw/zinc/19/79/45/427197945.db2.gz IOXMERVKJWWWRP-MRXNPFEDSA-N 2 1 313.449 2.503 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[C@@H]3OCC[N@H+](C)[C@@H]3C2)c1C ZINC000284936670 427198095 /nfs/dbraw/zinc/19/80/95/427198095.db2.gz JEWQZKXKTKAPFU-MSOLQXFVSA-N 2 1 311.429 2.761 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338218758 427200192 /nfs/dbraw/zinc/20/01/92/427200192.db2.gz WBGLJKWQOZSQPF-APWZRJJASA-N 2 1 310.445 2.692 20 0 DFADMP CS[C@@H]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000296507949 427202443 /nfs/dbraw/zinc/20/24/43/427202443.db2.gz ZPZMQYCIBHNVTK-QZTJIDSGSA-N 2 1 320.502 2.715 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125341 427203927 /nfs/dbraw/zinc/20/39/27/427203927.db2.gz QHIWHKFTZVHMAI-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125341 427203938 /nfs/dbraw/zinc/20/39/38/427203938.db2.gz QHIWHKFTZVHMAI-HSALFYBXSA-N 3 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125341 427203942 /nfs/dbraw/zinc/20/39/42/427203942.db2.gz QHIWHKFTZVHMAI-HSALFYBXSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCc2cc(OC)c(OC)cc2CC1 ZINC000338231039 427204265 /nfs/dbraw/zinc/20/42/65/427204265.db2.gz LXFLYWYINNPATN-UHFFFAOYSA-N 2 1 320.477 2.836 20 0 DFADMP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142226 427210262 /nfs/dbraw/zinc/21/02/62/427210262.db2.gz SJVOZGCFDJLRJE-DSLXNQLJSA-N 2 1 302.462 2.648 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1 ZINC000277517514 427227790 /nfs/dbraw/zinc/22/77/90/427227790.db2.gz RZJWGFYHRQZCBF-YJBOKZPZSA-N 2 1 317.477 2.789 20 0 DFADMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1C ZINC000191011645 427230133 /nfs/dbraw/zinc/23/01/33/427230133.db2.gz MBHDCMWECKHPJE-UHFFFAOYSA-N 2 1 303.494 2.761 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(Br)nc1 ZINC000293221334 427251738 /nfs/dbraw/zinc/25/17/38/427251738.db2.gz AMYIJHRPVCNYLI-WDEREUQCSA-N 2 1 300.244 2.692 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328384 427262308 /nfs/dbraw/zinc/26/23/08/427262308.db2.gz RSJFZJULJHHGEI-WOJBJXKFSA-N 2 1 316.489 2.887 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328384 427262312 /nfs/dbraw/zinc/26/23/12/427262312.db2.gz RSJFZJULJHHGEI-WOJBJXKFSA-N 2 1 316.489 2.887 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c2O1 ZINC000262135740 427352165 /nfs/dbraw/zinc/35/21/65/427352165.db2.gz LXFIAUNRDHWWOW-XIRDDKMYSA-N 2 1 300.446 2.959 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191256180 427300692 /nfs/dbraw/zinc/30/06/92/427300692.db2.gz YRAMKRSZTCZRHQ-HNNXBMFYSA-N 2 1 322.497 2.924 20 0 DFADMP CCOc1ccccc1CNCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277903165 427353039 /nfs/dbraw/zinc/35/30/39/427353039.db2.gz PBJQGPCOPRJHTH-INIZCTEOSA-N 2 1 306.450 2.676 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000293458457 427332390 /nfs/dbraw/zinc/33/23/90/427332390.db2.gz PYHXNPSOBAWGTP-OAHLLOKOSA-N 2 1 305.466 2.769 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000293458457 427332396 /nfs/dbraw/zinc/33/23/96/427332396.db2.gz PYHXNPSOBAWGTP-OAHLLOKOSA-N 2 1 305.466 2.769 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])c1 ZINC000261819649 427341158 /nfs/dbraw/zinc/34/11/58/427341158.db2.gz SOTTZPLYQGHELH-ZWKOTPCHSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000261892905 427343940 /nfs/dbraw/zinc/34/39/40/427343940.db2.gz GVFKZDFKGZHEIR-UOAMXJAYSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccc(F)cc2)CCCO1 ZINC000277862537 427344412 /nfs/dbraw/zinc/34/44/12/427344412.db2.gz NFMBDBBTQQMJHG-AUYOJAJCSA-N 2 1 306.425 2.929 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191419678 427346533 /nfs/dbraw/zinc/34/65/33/427346533.db2.gz VTCOQHDSCBIUDF-KRWDZBQOSA-N 2 1 304.482 2.700 20 0 DFADMP Cc1nn(C)c(C)c1C[N@H+](C)CCCN(C)Cc1ccco1 ZINC000285829970 427349670 /nfs/dbraw/zinc/34/96/70/427349670.db2.gz WVPRFVSOQYEMMT-UHFFFAOYSA-N 2 1 304.438 2.584 20 0 DFADMP Cc1nn(C)c(C)c1CN(C)CCC[N@H+](C)Cc1ccco1 ZINC000285829970 427349675 /nfs/dbraw/zinc/34/96/75/427349675.db2.gz WVPRFVSOQYEMMT-UHFFFAOYSA-N 2 1 304.438 2.584 20 0 DFADMP Cc1nn(C)c(C)c1CN(C)CCC[N@@H+](C)Cc1ccco1 ZINC000285829970 427349681 /nfs/dbraw/zinc/34/96/81/427349681.db2.gz WVPRFVSOQYEMMT-UHFFFAOYSA-N 2 1 304.438 2.584 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000293351963 427296357 /nfs/dbraw/zinc/29/63/57/427296357.db2.gz HACBNOZELXMTAF-AOIWGVFYSA-N 2 1 303.494 2.684 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000293351963 427296363 /nfs/dbraw/zinc/29/63/63/427296363.db2.gz HACBNOZELXMTAF-AOIWGVFYSA-N 3 1 303.494 2.684 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000293351963 427296368 /nfs/dbraw/zinc/29/63/68/427296368.db2.gz HACBNOZELXMTAF-AOIWGVFYSA-N 3 1 303.494 2.684 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@@H](C)c2cccc(O)c2)CC1 ZINC000191572699 427381203 /nfs/dbraw/zinc/38/12/03/427381203.db2.gz JURZQALAFLBCJE-KRWDZBQOSA-N 2 1 319.493 2.801 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338571941 427387671 /nfs/dbraw/zinc/38/76/71/427387671.db2.gz NSAJQMMCEPEJOL-HUUCEWRRSA-N 2 1 310.482 2.818 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC4CCC4)CC3)C2)cc1 ZINC000285999865 427399558 /nfs/dbraw/zinc/39/95/58/427399558.db2.gz OTGXONQUXJQIDU-FQEVSTJZSA-N 2 1 313.489 2.679 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)CO2 ZINC000297504826 427407209 /nfs/dbraw/zinc/40/72/09/427407209.db2.gz CDVQIGKTYNGREB-RDJZCZTQSA-N 2 1 318.461 2.709 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C[C@@H](O)c2cccnc2)C1 ZINC000297500892 427408173 /nfs/dbraw/zinc/40/81/73/427408173.db2.gz NDBWKYFAWNKLRT-ZIFCJYIRSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2cccnc2)C1 ZINC000297500892 427408181 /nfs/dbraw/zinc/40/81/81/427408181.db2.gz NDBWKYFAWNKLRT-ZIFCJYIRSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](C[C@@H](O)c2cccnc2)C1 ZINC000297500892 427408189 /nfs/dbraw/zinc/40/81/89/427408189.db2.gz NDBWKYFAWNKLRT-ZIFCJYIRSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](C[C@@H](O)c2cccnc2)C1 ZINC000297500892 427408196 /nfs/dbraw/zinc/40/81/96/427408196.db2.gz NDBWKYFAWNKLRT-ZIFCJYIRSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](C[C@@H](O)c2cccnc2)C1 ZINC000297500892 427408202 /nfs/dbraw/zinc/40/82/02/427408202.db2.gz NDBWKYFAWNKLRT-ZIFCJYIRSA-N 2 1 317.477 2.701 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3cn[nH]c3)CC2)oc1C ZINC000297513909 427409784 /nfs/dbraw/zinc/40/97/84/427409784.db2.gz CSXXJULQUYWXDK-ZDUSSCGKSA-N 2 1 317.437 2.577 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](c3ccccc3)C2)CC1 ZINC000191465140 427356240 /nfs/dbraw/zinc/35/62/40/427356240.db2.gz WWPBITLQYHGECL-FQEVSTJZSA-N 2 1 315.505 2.892 20 0 DFADMP CCCn1cc[nH+]c1CCCN(C)Cc1noc(C2CC2)n1 ZINC000191495219 427361622 /nfs/dbraw/zinc/36/16/22/427361622.db2.gz XZWGKCDCUWZZTH-UHFFFAOYSA-N 2 1 303.410 2.618 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000191489429 427361819 /nfs/dbraw/zinc/36/18/19/427361819.db2.gz PGDLIHOVYZIMHJ-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2CCF)C1 ZINC000285903133 427367001 /nfs/dbraw/zinc/36/70/01/427367001.db2.gz BKIPTAKWOGOBON-ATZDWAIDSA-N 2 1 320.452 2.871 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000286192907 427448863 /nfs/dbraw/zinc/44/88/63/427448863.db2.gz RIIDGVQRYONWQX-NSHDSACASA-N 2 1 307.419 2.781 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2cnc3ccc(Cl)cn23)CC[N@H+]1C ZINC000271206531 427451406 /nfs/dbraw/zinc/45/14/06/427451406.db2.gz RWMOOAJMSCRNFN-GXTWGEPZSA-N 2 1 306.841 2.902 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH+]2CCC3(CCCCC3)CC2)CC1 ZINC000338726471 427456669 /nfs/dbraw/zinc/45/66/69/427456669.db2.gz RSSCYDNLEACMQM-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278818666 427462798 /nfs/dbraw/zinc/46/27/98/427462798.db2.gz ZYVWLVUCQMXLJJ-NEPXVJNWSA-N 2 1 302.462 2.912 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057825 427470942 /nfs/dbraw/zinc/47/09/42/427470942.db2.gz HWZNIYMIWZUKBN-KRWDZBQOSA-N 3 1 312.461 2.954 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057825 427470949 /nfs/dbraw/zinc/47/09/49/427470949.db2.gz HWZNIYMIWZUKBN-KRWDZBQOSA-N 3 1 312.461 2.954 20 0 DFADMP CC[N@H+](C)C[C@@H]1CCN(Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057825 427470953 /nfs/dbraw/zinc/47/09/53/427470953.db2.gz HWZNIYMIWZUKBN-KRWDZBQOSA-N 3 1 312.461 2.954 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057825 427470960 /nfs/dbraw/zinc/47/09/60/427470960.db2.gz HWZNIYMIWZUKBN-KRWDZBQOSA-N 3 1 312.461 2.954 20 0 DFADMP CC[N@H+](Cc1ncccn1)CC1CCN(c2ccccn2)CC1 ZINC000192049841 427471660 /nfs/dbraw/zinc/47/16/60/427471660.db2.gz YJSHQNCTUKDGHE-UHFFFAOYSA-N 2 1 311.433 2.610 20 0 DFADMP CCN(Cc1ncccn1)CC1CCN(c2ccccn2)CC1 ZINC000192049841 427471668 /nfs/dbraw/zinc/47/16/68/427471668.db2.gz YJSHQNCTUKDGHE-UHFFFAOYSA-N 2 1 311.433 2.610 20 0 DFADMP C=Cn1cc(CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000278857336 427478770 /nfs/dbraw/zinc/47/87/70/427478770.db2.gz LRSGNGAANJOXPN-VQIMIIECSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000278857336 427478776 /nfs/dbraw/zinc/47/87/76/427478776.db2.gz LRSGNGAANJOXPN-VQIMIIECSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000278857336 427478778 /nfs/dbraw/zinc/47/87/78/427478778.db2.gz LRSGNGAANJOXPN-VQIMIIECSA-N 2 1 310.445 2.984 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000278871996 427482982 /nfs/dbraw/zinc/48/29/82/427482982.db2.gz OEMSPDADHQYDKV-YJBOKZPZSA-N 2 1 310.445 2.664 20 0 DFADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@@H]3C[NH2+]C[C@@H]3O)cc2)c1 ZINC000263163811 427426998 /nfs/dbraw/zinc/42/69/98/427426998.db2.gz FAWOPCLUVVHCRS-UXHICEINSA-N 2 1 310.441 2.640 20 0 DFADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000293779623 427431661 /nfs/dbraw/zinc/43/16/61/427431661.db2.gz QBOCCZXPQNZWPB-MRXNPFEDSA-N 2 1 301.390 2.719 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000191814365 427433479 /nfs/dbraw/zinc/43/34/79/427433479.db2.gz ZRGLKKJRVXTZPR-HNNXBMFYSA-N 2 1 305.470 2.524 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000191814365 427433485 /nfs/dbraw/zinc/43/34/85/427433485.db2.gz ZRGLKKJRVXTZPR-HNNXBMFYSA-N 2 1 305.470 2.524 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338686303 427437685 /nfs/dbraw/zinc/43/76/85/427437685.db2.gz FLHKZDDHPZDCPF-IPELMVKDSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805725 427442593 /nfs/dbraw/zinc/44/25/93/427442593.db2.gz VHXJBYPSSQKAJB-RSPOEFSDSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805725 427442599 /nfs/dbraw/zinc/44/25/99/427442599.db2.gz VHXJBYPSSQKAJB-RSPOEFSDSA-N 3 1 315.505 2.969 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC[C@@H]2C)cc1F ZINC000192504181 427554794 /nfs/dbraw/zinc/55/47/94/427554794.db2.gz RHQMBVOAYTWHCI-LRDDRELGSA-N 2 1 303.381 2.834 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000184704719 427521855 /nfs/dbraw/zinc/52/18/55/427521855.db2.gz NLTUAXNGUQOWAN-INIZCTEOSA-N 2 1 320.481 2.608 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000192356266 427526129 /nfs/dbraw/zinc/52/61/29/427526129.db2.gz VNUDSYYXZSELLV-SFHVURJKSA-N 2 1 320.502 2.763 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000192356266 427526138 /nfs/dbraw/zinc/52/61/38/427526138.db2.gz VNUDSYYXZSELLV-SFHVURJKSA-N 2 1 320.502 2.763 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437392 427538977 /nfs/dbraw/zinc/53/89/77/427538977.db2.gz RCASYOLNUQGKCW-PMACEKPBSA-N 2 1 313.489 2.821 20 0 DFADMP O[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCC1 ZINC000298222283 427540572 /nfs/dbraw/zinc/54/05/72/427540572.db2.gz SHNHMDXQRJJZHO-IAGOWNOFSA-N 2 1 308.853 2.837 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](O)c1c(F)cccc1F ZINC000271449057 427541372 /nfs/dbraw/zinc/54/13/72/427541372.db2.gz FKMASLDVUXWQQL-RBNVPPIJSA-N 2 1 312.404 2.849 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](O)c1c(F)cccc1F ZINC000271449057 427541380 /nfs/dbraw/zinc/54/13/80/427541380.db2.gz FKMASLDVUXWQQL-RBNVPPIJSA-N 2 1 312.404 2.849 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2C)cc1 ZINC000263697690 427544201 /nfs/dbraw/zinc/54/42/01/427544201.db2.gz RPJLDLVNFMPDRR-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000263697690 427544206 /nfs/dbraw/zinc/54/42/06/427544206.db2.gz RPJLDLVNFMPDRR-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1 ZINC000263697690 427544214 /nfs/dbraw/zinc/54/42/14/427544214.db2.gz RPJLDLVNFMPDRR-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000271456841 427544884 /nfs/dbraw/zinc/54/48/84/427544884.db2.gz GWCOQPRFNKDVLN-UGFHNGPFSA-N 2 1 314.832 2.832 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@H](C)C1 ZINC000271456841 427544890 /nfs/dbraw/zinc/54/48/90/427544890.db2.gz GWCOQPRFNKDVLN-UGFHNGPFSA-N 2 1 314.832 2.832 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC[C@H]3C)CC2)oc1C ZINC000192538413 427560692 /nfs/dbraw/zinc/56/06/92/427560692.db2.gz AFLDDIWLICGPCF-DYVFJYSZSA-N 2 1 321.465 2.518 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000271503841 427564401 /nfs/dbraw/zinc/56/44/01/427564401.db2.gz MMDJCSSPYWIWMF-LNLFQRSKSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000271503841 427564407 /nfs/dbraw/zinc/56/44/07/427564407.db2.gz MMDJCSSPYWIWMF-LNLFQRSKSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H](CNC1CC[NH+](C2CC2)CC1)[N@@H+](C)Cc1ccccc1 ZINC000298320865 427568782 /nfs/dbraw/zinc/56/87/82/427568782.db2.gz IHABJTXXFFVNKR-INIZCTEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304414 427571141 /nfs/dbraw/zinc/57/11/41/427571141.db2.gz COCXUEAIDGUFHJ-JCGIZDLHSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304414 427571148 /nfs/dbraw/zinc/57/11/48/427571148.db2.gz COCXUEAIDGUFHJ-JCGIZDLHSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304414 427571154 /nfs/dbraw/zinc/57/11/54/427571154.db2.gz COCXUEAIDGUFHJ-JCGIZDLHSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304414 427571161 /nfs/dbraw/zinc/57/11/61/427571161.db2.gz COCXUEAIDGUFHJ-JCGIZDLHSA-N 2 1 311.433 2.545 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192593111 427571395 /nfs/dbraw/zinc/57/13/95/427571395.db2.gz JDSIGGCYQYOKSR-UHFFFAOYSA-N 2 1 322.518 2.698 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000192593111 427571399 /nfs/dbraw/zinc/57/13/99/427571399.db2.gz JDSIGGCYQYOKSR-UHFFFAOYSA-N 2 1 322.518 2.698 20 0 DFADMP CCOCC[NH+](C)Cc1cccc(C[N@H+](C)CCOCC)c1 ZINC000271526669 427572856 /nfs/dbraw/zinc/57/28/56/427572856.db2.gz WPBRBJVIBAAGQL-UHFFFAOYSA-N 2 1 308.466 2.623 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000298326898 427573195 /nfs/dbraw/zinc/57/31/95/427573195.db2.gz VIJLCLWRMXNQKE-IUODEOHRSA-N 2 1 316.367 2.813 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000192702303 427590029 /nfs/dbraw/zinc/59/00/29/427590029.db2.gz RCYHNKUVWSJPOP-IIDMSEBBSA-N 2 1 315.461 2.632 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000271912233 427594380 /nfs/dbraw/zinc/59/43/80/427594380.db2.gz YCAGWXHXFWYDGJ-FXAWDEMLSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000271912233 427594384 /nfs/dbraw/zinc/59/43/84/427594384.db2.gz YCAGWXHXFWYDGJ-FXAWDEMLSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000271912233 427594391 /nfs/dbraw/zinc/59/43/91/427594391.db2.gz YCAGWXHXFWYDGJ-FXAWDEMLSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CCN1Cc1ccccc1 ZINC000271912233 427594398 /nfs/dbraw/zinc/59/43/98/427594398.db2.gz YCAGWXHXFWYDGJ-FXAWDEMLSA-N 2 1 313.489 2.891 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCN1Cc1ccccc1 ZINC000271912233 427594402 /nfs/dbraw/zinc/59/44/02/427594402.db2.gz YCAGWXHXFWYDGJ-FXAWDEMLSA-N 2 1 313.489 2.891 20 0 DFADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000192741046 427599694 /nfs/dbraw/zinc/59/96/94/427599694.db2.gz LVXVWGYRGOVEEF-AGUYFDCRSA-N 2 1 322.836 2.826 20 0 DFADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cc(Cl)c3c(c1)OCCO3)C2 ZINC000192741046 427599701 /nfs/dbraw/zinc/59/97/01/427599701.db2.gz LVXVWGYRGOVEEF-AGUYFDCRSA-N 2 1 322.836 2.826 20 0 DFADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924499 427636812 /nfs/dbraw/zinc/63/68/12/427636812.db2.gz DVUVNVFIEWYDTD-GOSISDBHSA-N 2 1 312.461 2.649 20 0 DFADMP CCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272146963 427649141 /nfs/dbraw/zinc/64/91/41/427649141.db2.gz CMACAWYQOZICSQ-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CCOc1cc(C[NH2+]CCCCn2cc[nH+]c2C)ccc1O ZINC000298571632 427650538 /nfs/dbraw/zinc/65/05/38/427650538.db2.gz XBTFBCSJADUNRY-UHFFFAOYSA-N 2 1 303.406 2.866 20 0 DFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCc1cn[nH]c1 ZINC000298575938 427653137 /nfs/dbraw/zinc/65/31/37/427653137.db2.gz XIOXQTBBWFENIV-MRXNPFEDSA-N 2 1 309.417 2.775 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3cccs3)no1)CC[NH2+]CC2 ZINC000333601126 427656752 /nfs/dbraw/zinc/65/67/52/427656752.db2.gz QLBRFAGXWLLEQN-LBPRGKRZSA-N 2 1 318.446 2.762 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164030 427656917 /nfs/dbraw/zinc/65/69/17/427656917.db2.gz GHBOMBZGYASNMM-QXAKKESOSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000339066549 427659606 /nfs/dbraw/zinc/65/96/06/427659606.db2.gz FUYNYUUJYXZTCD-GXFFZTMASA-N 2 1 302.340 2.857 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000339066549 427659613 /nfs/dbraw/zinc/65/96/13/427659613.db2.gz FUYNYUUJYXZTCD-GXFFZTMASA-N 2 1 302.340 2.857 20 0 DFADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339068591 427660079 /nfs/dbraw/zinc/66/00/79/427660079.db2.gz RMIKZEVFRQBBKL-JKSUJKDBSA-N 2 1 300.446 2.943 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1)C(C)C ZINC000342592653 272028714 /nfs/dbraw/zinc/02/87/14/272028714.db2.gz OUGJASAKKRGGTP-CQSZACIVSA-N 2 1 306.454 2.623 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298646608 427668817 /nfs/dbraw/zinc/66/88/17/427668817.db2.gz XCRVYIBAKZOJJI-ROUUACIJSA-N 2 1 317.477 2.793 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298646608 427668823 /nfs/dbraw/zinc/66/88/23/427668823.db2.gz XCRVYIBAKZOJJI-ROUUACIJSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298646608 427668829 /nfs/dbraw/zinc/66/88/29/427668829.db2.gz XCRVYIBAKZOJJI-ROUUACIJSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298646608 427668839 /nfs/dbraw/zinc/66/88/39/427668839.db2.gz XCRVYIBAKZOJJI-ROUUACIJSA-N 2 1 317.477 2.793 20 0 DFADMP C[N@@H+]1CCCC12CCN(c1cc[nH+]cc1Br)CC2 ZINC000342931389 272067794 /nfs/dbraw/zinc/06/77/94/272067794.db2.gz KVZLNNNUZBITNU-UHFFFAOYSA-N 2 1 310.239 2.909 20 0 DFADMP C[N@H+]1CCCC12CCN(c1cc[nH+]cc1Br)CC2 ZINC000342931389 272067796 /nfs/dbraw/zinc/06/77/96/272067796.db2.gz KVZLNNNUZBITNU-UHFFFAOYSA-N 2 1 310.239 2.909 20 0 DFADMP C[C@H](CCc1ccccc1)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000342952573 272070795 /nfs/dbraw/zinc/07/07/95/272070795.db2.gz PSDVZOQOCWGIDD-QGZVFWFLSA-N 2 1 304.478 2.644 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000287690512 427670719 /nfs/dbraw/zinc/67/07/19/427670719.db2.gz WROCHZLDQYJYMA-TXPKVOOTSA-N 2 1 320.477 2.920 20 0 DFADMP Cc1cc(NC[C@H]2C[C@H](F)C[N@@H+]2Cc2cccs2)cc[nH+]1 ZINC000342994214 272074117 /nfs/dbraw/zinc/07/41/17/272074117.db2.gz NXXXOKRVUQGILH-DZGCQCFKSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1cc(NC[C@H]2C[C@H](F)C[N@H+]2Cc2cccs2)cc[nH+]1 ZINC000342994214 272074120 /nfs/dbraw/zinc/07/41/20/272074120.db2.gz NXXXOKRVUQGILH-DZGCQCFKSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000272203831 427671682 /nfs/dbraw/zinc/67/16/82/427671682.db2.gz YWCXZSNHYFNKEV-UHFFFAOYSA-N 2 1 315.417 2.937 20 0 DFADMP CC1CCC2(CC1)OC[C@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)O2 ZINC000193108159 427666954 /nfs/dbraw/zinc/66/69/54/427666954.db2.gz ONPAXNLXLQIWTH-SOPAXANKSA-N 2 1 308.466 2.523 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccnc1 ZINC000343244434 272103303 /nfs/dbraw/zinc/10/33/03/272103303.db2.gz IEGBVTUPSDEQFN-INDMIFKZSA-N 2 1 317.477 2.568 20 0 DFADMP CO[C@@H]1C[C@H](CN(C)c2cc(C)[nH+]c3ccc(F)cc32)[N@@H+](C)C1 ZINC000343300281 272114895 /nfs/dbraw/zinc/11/48/95/272114895.db2.gz DXFFVQHLQIFZQA-HUUCEWRRSA-N 2 1 317.408 2.838 20 0 DFADMP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2C)[C@H]1c1ccccc1 ZINC000343320310 272117562 /nfs/dbraw/zinc/11/75/62/272117562.db2.gz LSJVNGGUWBRNOR-RTBURBONSA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@H+]1CCO[C@H](CNc2cc[nH+]cc2C)[C@H]1c1ccccc1 ZINC000343320310 272117563 /nfs/dbraw/zinc/11/75/63/272117563.db2.gz LSJVNGGUWBRNOR-RTBURBONSA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]cc2C)[C@@H]1c1ccccc1 ZINC000343320304 272117579 /nfs/dbraw/zinc/11/75/79/272117579.db2.gz LSJVNGGUWBRNOR-MOPGFXCFSA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@H+]1CCO[C@H](CNc2cc[nH+]cc2C)[C@@H]1c1ccccc1 ZINC000343320304 272117580 /nfs/dbraw/zinc/11/75/80/272117580.db2.gz LSJVNGGUWBRNOR-MOPGFXCFSA-N 2 1 311.429 2.686 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000287695243 427673308 /nfs/dbraw/zinc/67/33/08/427673308.db2.gz IXVOVLDQGVVSLG-NVXWUHKLSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000287695243 427673311 /nfs/dbraw/zinc/67/33/11/427673311.db2.gz IXVOVLDQGVVSLG-NVXWUHKLSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000287695243 427673313 /nfs/dbraw/zinc/67/33/13/427673313.db2.gz IXVOVLDQGVVSLG-NVXWUHKLSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000287695243 427673318 /nfs/dbraw/zinc/67/33/18/427673318.db2.gz IXVOVLDQGVVSLG-NVXWUHKLSA-N 2 1 303.450 2.623 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000343494087 272159333 /nfs/dbraw/zinc/15/93/33/272159333.db2.gz IURFFSUAJZHCKI-HLIPFELVSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000343494087 272159336 /nfs/dbraw/zinc/15/93/36/272159336.db2.gz IURFFSUAJZHCKI-HLIPFELVSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000343494087 272159337 /nfs/dbraw/zinc/15/93/37/272159337.db2.gz IURFFSUAJZHCKI-HLIPFELVSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000343494087 272159340 /nfs/dbraw/zinc/15/93/40/272159340.db2.gz IURFFSUAJZHCKI-HLIPFELVSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000343494087 272159343 /nfs/dbraw/zinc/15/93/43/272159343.db2.gz IURFFSUAJZHCKI-HLIPFELVSA-N 2 1 315.505 2.958 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000343558274 272169985 /nfs/dbraw/zinc/16/99/85/272169985.db2.gz UZFQQPSSHVOBEO-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000343558274 272169987 /nfs/dbraw/zinc/16/99/87/272169987.db2.gz UZFQQPSSHVOBEO-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000343558274 272169990 /nfs/dbraw/zinc/16/99/90/272169990.db2.gz UZFQQPSSHVOBEO-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000343558274 272169991 /nfs/dbraw/zinc/16/99/91/272169991.db2.gz UZFQQPSSHVOBEO-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569497 272173773 /nfs/dbraw/zinc/17/37/73/272173773.db2.gz RXIZSXDZZVTMBW-PMACEKPBSA-N 2 1 310.441 2.627 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569497 272173774 /nfs/dbraw/zinc/17/37/74/272173774.db2.gz RXIZSXDZZVTMBW-PMACEKPBSA-N 2 1 310.441 2.627 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000343575521 272174638 /nfs/dbraw/zinc/17/46/38/272174638.db2.gz QTEJMYDOZXJZCA-XLIONFOSSA-N 2 1 315.505 2.889 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000343655854 272194696 /nfs/dbraw/zinc/19/46/96/272194696.db2.gz IPJVUJOWBZQYCJ-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000343655854 272194697 /nfs/dbraw/zinc/19/46/97/272194697.db2.gz IPJVUJOWBZQYCJ-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000343655854 272194699 /nfs/dbraw/zinc/19/46/99/272194699.db2.gz IPJVUJOWBZQYCJ-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000343720461 272207349 /nfs/dbraw/zinc/20/73/49/272207349.db2.gz VFRVHNIEIONIPF-FGTMMUONSA-N 2 1 307.526 2.913 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000343733406 272209121 /nfs/dbraw/zinc/20/91/21/272209121.db2.gz JSIKHAXRMFIZMD-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000343920996 272238254 /nfs/dbraw/zinc/23/82/54/272238254.db2.gz DREMXBIHYOJEIF-OAHLLOKOSA-N 2 1 314.433 2.576 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272239840 427681289 /nfs/dbraw/zinc/68/12/89/427681289.db2.gz WIEWOADNOFKVLG-CRAIPNDOSA-N 2 1 312.461 2.729 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)CCO2 ZINC000344110004 272264908 /nfs/dbraw/zinc/26/49/08/272264908.db2.gz OKPDPJKLDZWTNO-WRFANHODSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CCO2 ZINC000344110004 272264909 /nfs/dbraw/zinc/26/49/09/272264909.db2.gz OKPDPJKLDZWTNO-WRFANHODSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CCO2 ZINC000344109998 272265400 /nfs/dbraw/zinc/26/54/00/272265400.db2.gz OKPDPJKLDZWTNO-DLTLXFJOSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CCO2 ZINC000344109998 272265401 /nfs/dbraw/zinc/26/54/01/272265401.db2.gz OKPDPJKLDZWTNO-DLTLXFJOSA-N 2 1 304.434 2.837 20 0 DFADMP c1cn(-c2csc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cn1 ZINC000344162602 272276740 /nfs/dbraw/zinc/27/67/40/272276740.db2.gz IMQHMHAWZBTCHR-KBPBESRZSA-N 2 1 302.447 2.650 20 0 DFADMP c1cn(-c2csc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000344162605 272276841 /nfs/dbraw/zinc/27/68/41/272276841.db2.gz IMQHMHAWZBTCHR-ZIAGYGMSSA-N 2 1 302.447 2.650 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344243733 272296034 /nfs/dbraw/zinc/29/60/34/272296034.db2.gz VSYAONYXTUKSJT-BRWVUGGUSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000344243733 272296036 /nfs/dbraw/zinc/29/60/36/272296036.db2.gz VSYAONYXTUKSJT-BRWVUGGUSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000344243733 272296038 /nfs/dbraw/zinc/29/60/38/272296038.db2.gz VSYAONYXTUKSJT-BRWVUGGUSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[N@H+]1C ZINC000344633268 272349925 /nfs/dbraw/zinc/34/99/25/272349925.db2.gz RHTLTDGXRAETLC-GXTWGEPZSA-N 2 1 302.397 2.788 20 0 DFADMP CCn1nccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272257369 427688417 /nfs/dbraw/zinc/68/84/17/427688417.db2.gz ZJMUNZNKVKEIRR-FUHWJXTLSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272257369 427688422 /nfs/dbraw/zinc/68/84/22/427688422.db2.gz ZJMUNZNKVKEIRR-FUHWJXTLSA-N 2 1 312.461 2.903 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678208 427689413 /nfs/dbraw/zinc/68/94/13/427689413.db2.gz XZELOUXRFLMRIM-AYBZRNKSSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295128540 427704571 /nfs/dbraw/zinc/70/45/71/427704571.db2.gz XPWWBZGEMUTXHA-WZGPROSRSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000295128540 427704576 /nfs/dbraw/zinc/70/45/76/427704576.db2.gz XPWWBZGEMUTXHA-WZGPROSRSA-N 2 1 302.462 2.790 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(F)cn1 ZINC000287906139 427712413 /nfs/dbraw/zinc/71/24/13/427712413.db2.gz ZWVQXSZMTFYJFH-RYUDHWBXSA-N 2 1 306.385 2.721 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000336840935 427756340 /nfs/dbraw/zinc/75/63/40/427756340.db2.gz YHIWKLUKXPHUTJ-HOTGVXAUSA-N 2 1 309.479 2.568 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000336840935 427756341 /nfs/dbraw/zinc/75/63/41/427756341.db2.gz YHIWKLUKXPHUTJ-HOTGVXAUSA-N 2 1 309.479 2.568 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000336855577 427759923 /nfs/dbraw/zinc/75/99/23/427759923.db2.gz ILQQSHJXQPBGCM-CABCVRRESA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000336855577 427759925 /nfs/dbraw/zinc/75/99/25/427759925.db2.gz ILQQSHJXQPBGCM-CABCVRRESA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000336855577 427759928 /nfs/dbraw/zinc/75/99/28/427759928.db2.gz ILQQSHJXQPBGCM-CABCVRRESA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000336855577 427759930 /nfs/dbraw/zinc/75/99/30/427759930.db2.gz ILQQSHJXQPBGCM-CABCVRRESA-N 2 1 306.454 2.857 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336857416 427761630 /nfs/dbraw/zinc/76/16/30/427761630.db2.gz SDTXUQHEDFPQSX-IRXDYDNUSA-N 2 1 303.381 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336857416 427761632 /nfs/dbraw/zinc/76/16/32/427761632.db2.gz SDTXUQHEDFPQSX-IRXDYDNUSA-N 2 1 303.381 2.529 20 0 DFADMP Cc1nc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(C)s1 ZINC000336857164 427762043 /nfs/dbraw/zinc/76/20/43/427762043.db2.gz QRCQTOVGDSHHOC-UHFFFAOYSA-N 2 1 323.506 2.694 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336857417 427762286 /nfs/dbraw/zinc/76/22/86/427762286.db2.gz SDTXUQHEDFPQSX-SJORKVTESA-N 2 1 303.381 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336857417 427762288 /nfs/dbraw/zinc/76/22/88/427762288.db2.gz SDTXUQHEDFPQSX-SJORKVTESA-N 2 1 303.381 2.529 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000336873721 427769533 /nfs/dbraw/zinc/76/95/33/427769533.db2.gz ULMHOCHGLCRGMH-KRWDZBQOSA-N 2 1 317.477 2.871 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000336873721 427769535 /nfs/dbraw/zinc/76/95/35/427769535.db2.gz ULMHOCHGLCRGMH-KRWDZBQOSA-N 2 1 317.477 2.871 20 0 DFADMP CCn1ccnc1C[N@@H+](CCC(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000339409013 427769763 /nfs/dbraw/zinc/76/97/63/427769763.db2.gz WABBDVULQWMKHO-MRXNPFEDSA-N 2 1 304.482 2.893 20 0 DFADMP CCCCN(CCCC)C(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433313 427774174 /nfs/dbraw/zinc/77/41/74/427774174.db2.gz OJBWXQYTATYAOV-LJQANCHMSA-N 2 1 323.525 2.833 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCCC2(CCC[N@H+](C[C@@H]3CCCO3)C2)C1 ZINC000339204736 427729032 /nfs/dbraw/zinc/72/90/32/427729032.db2.gz VNYMWHCPWDJUIJ-ADUPEVMXSA-N 2 1 322.493 2.522 20 0 DFADMP Cc1cc(Cl)cc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000339250188 427741589 /nfs/dbraw/zinc/74/15/89/427741589.db2.gz YQBVJJZQQZTCGK-KRWDZBQOSA-N 2 1 310.869 2.975 20 0 DFADMP Cc1cc(Cl)cc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000339250190 427742404 /nfs/dbraw/zinc/74/24/04/427742404.db2.gz YQBVJJZQQZTCGK-QGZVFWFLSA-N 2 1 310.869 2.975 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656301 427746501 /nfs/dbraw/zinc/74/65/01/427746501.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336656301 427746503 /nfs/dbraw/zinc/74/65/03/427746503.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336656301 427746506 /nfs/dbraw/zinc/74/65/06/427746506.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656301 427746509 /nfs/dbraw/zinc/74/65/09/427746509.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C2CC2)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656301 427746511 /nfs/dbraw/zinc/74/65/11/427746511.db2.gz MAAGTHUAWMUGNF-QXAKKESOSA-N 2 1 313.489 2.723 20 0 DFADMP CC[C@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000301410679 427794432 /nfs/dbraw/zinc/79/44/32/427794432.db2.gz OWALKQRGVKQDLB-CVEARBPZSA-N 2 1 313.445 2.825 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1CC(C)(C)C1 ZINC000339656031 427807986 /nfs/dbraw/zinc/80/79/86/427807986.db2.gz ZWBTWNOPLHNXNE-KRWDZBQOSA-N 2 1 323.525 2.687 20 0 DFADMP CC(C)C[C@H](C)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000337194660 427813081 /nfs/dbraw/zinc/81/30/81/427813081.db2.gz WJCDTENKTHPXRM-HTUJPFKRSA-N 2 1 307.526 2.911 20 0 DFADMP CCc1cc(N2CC[N@@H+](CCOC)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301769118 427822421 /nfs/dbraw/zinc/82/24/21/427822421.db2.gz CVYWFBRHCQVTGM-HNNXBMFYSA-N 2 1 313.445 2.954 20 0 DFADMP CCCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000359455236 427858352 /nfs/dbraw/zinc/85/83/52/427858352.db2.gz CYKQSLMOOMOEPO-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000349656407 427837663 /nfs/dbraw/zinc/83/76/63/427837663.db2.gz PPTSKYDESGRKPV-KZNAEPCWSA-N 2 1 323.525 2.686 20 0 DFADMP CC[C@H]1C[C@@H](C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000355681685 427846430 /nfs/dbraw/zinc/84/64/30/427846430.db2.gz JQAGWXCHGHOLNC-ROUUACIJSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000340436620 427847962 /nfs/dbraw/zinc/84/79/62/427847962.db2.gz SPJHFXDSVJZOPF-AAEUAGOBSA-N 2 1 301.356 2.573 20 0 DFADMP CCSCC[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000355733599 427866271 /nfs/dbraw/zinc/86/62/71/427866271.db2.gz MAIPWWCAKHGFFV-GOSISDBHSA-N 2 1 321.534 2.708 20 0 DFADMP CC[N@@H+](C)CCNc1cc(C)[nH+]c2ccc(OC(F)F)cc12 ZINC000359481292 427869446 /nfs/dbraw/zinc/86/94/46/427869446.db2.gz NGLSQLZDGWDUDP-UHFFFAOYSA-N 2 1 309.360 2.930 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000345745833 427887301 /nfs/dbraw/zinc/88/73/01/427887301.db2.gz ATFSPKUUVRFTFF-ZMMAXQRCSA-N 2 1 323.525 2.768 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1c(F)cccc1F ZINC000359524297 427890770 /nfs/dbraw/zinc/89/07/70/427890770.db2.gz WYXACTQJYLROCV-OAHLLOKOSA-N 2 1 309.360 2.573 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000345775767 427901398 /nfs/dbraw/zinc/90/13/98/427901398.db2.gz JENALPSPENXELU-XWTMOSNGSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000355823688 427908444 /nfs/dbraw/zinc/90/84/44/427908444.db2.gz YXUZNICJNUBNEP-HOTGVXAUSA-N 2 1 317.477 2.741 20 0 DFADMP CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000345808969 427915647 /nfs/dbraw/zinc/91/56/47/427915647.db2.gz SYLCJXNFENRSID-CVEARBPZSA-N 2 1 311.514 2.734 20 0 DFADMP c1cc(CCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCC2 ZINC000340676572 427924922 /nfs/dbraw/zinc/92/49/22/427924922.db2.gz QRLTXAJWDULQHI-UHFFFAOYSA-N 2 1 300.446 2.630 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)C[C@H]1c1ccccc1 ZINC000340354920 427995233 /nfs/dbraw/zinc/99/52/33/427995233.db2.gz DYGYKNJYBKEUFX-KSZLIROESA-N 2 1 310.445 2.623 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)C[C@H]1c1ccccc1 ZINC000340354920 427995239 /nfs/dbraw/zinc/99/52/39/427995239.db2.gz DYGYKNJYBKEUFX-KSZLIROESA-N 2 1 310.445 2.623 20 0 DFADMP CCC[C@@H](C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000337567134 427962174 /nfs/dbraw/zinc/96/21/74/427962174.db2.gz ALINYKFLXQPRMK-IAGOWNOFSA-N 2 1 311.514 2.687 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000340236607 427963860 /nfs/dbraw/zinc/96/38/60/427963860.db2.gz RWPBSYODBNJZBE-ZWKOTPCHSA-N 2 1 320.477 2.853 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000340236607 427963864 /nfs/dbraw/zinc/96/38/64/427963864.db2.gz RWPBSYODBNJZBE-ZWKOTPCHSA-N 2 1 320.477 2.853 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256388 427968733 /nfs/dbraw/zinc/96/87/33/427968733.db2.gz HQBXSORAQGAZAD-COXVUDFISA-N 2 1 304.434 2.997 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256388 427968737 /nfs/dbraw/zinc/96/87/37/427968737.db2.gz HQBXSORAQGAZAD-COXVUDFISA-N 2 1 304.434 2.997 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000341049778 427978576 /nfs/dbraw/zinc/97/85/76/427978576.db2.gz CRJQZGJKUAIUDX-NUJGCVRESA-N 2 1 317.477 2.668 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)[C@H]1Oc1ccccc1 ZINC000359716199 427985609 /nfs/dbraw/zinc/98/56/09/427985609.db2.gz MLKALXCMCJVTCK-IPMKNSEASA-N 2 1 318.461 2.687 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340180311 427948284 /nfs/dbraw/zinc/94/82/84/427948284.db2.gz HKNXPBOQXHJMFQ-GUDVDZBRSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340180311 427948288 /nfs/dbraw/zinc/94/82/88/427948288.db2.gz HKNXPBOQXHJMFQ-GUDVDZBRSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340180311 427948292 /nfs/dbraw/zinc/94/82/92/427948292.db2.gz HKNXPBOQXHJMFQ-GUDVDZBRSA-N 2 1 301.478 2.896 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000359641228 427949200 /nfs/dbraw/zinc/94/92/00/427949200.db2.gz MVQXSNUGZQDNRG-MJGOQNOKSA-N 2 1 318.509 2.612 20 0 DFADMP CC(C)[N@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000359641228 427949205 /nfs/dbraw/zinc/94/92/05/427949205.db2.gz MVQXSNUGZQDNRG-MJGOQNOKSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[N@@H+](C)CCCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000359641228 427949207 /nfs/dbraw/zinc/94/92/07/427949207.db2.gz MVQXSNUGZQDNRG-MJGOQNOKSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000359641228 427949212 /nfs/dbraw/zinc/94/92/12/427949212.db2.gz MVQXSNUGZQDNRG-MJGOQNOKSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000359641228 427949217 /nfs/dbraw/zinc/94/92/17/427949217.db2.gz MVQXSNUGZQDNRG-MJGOQNOKSA-N 3 1 318.509 2.612 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340188861 427949832 /nfs/dbraw/zinc/94/98/32/427949832.db2.gz QNRKMVFADNEHJW-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340188861 427949838 /nfs/dbraw/zinc/94/98/38/427949838.db2.gz QNRKMVFADNEHJW-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340188861 427949842 /nfs/dbraw/zinc/94/98/42/427949842.db2.gz QNRKMVFADNEHJW-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000340188861 427949846 /nfs/dbraw/zinc/94/98/46/427949846.db2.gz QNRKMVFADNEHJW-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000340188861 427949850 /nfs/dbraw/zinc/94/98/50/427949850.db2.gz QNRKMVFADNEHJW-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188850 427950036 /nfs/dbraw/zinc/95/00/36/427950036.db2.gz QKLQEKKEZUCRJT-YOEHRIQHSA-N 2 1 304.434 2.856 20 0 DFADMP CCC[C@@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000356118763 428027576 /nfs/dbraw/zinc/02/75/76/428027576.db2.gz YVWPYQOACNDAKK-GOSISDBHSA-N 2 1 311.514 2.687 20 0 DFADMP CCC[C@@](C)(CC)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000356118763 428027581 /nfs/dbraw/zinc/02/75/81/428027581.db2.gz YVWPYQOACNDAKK-GOSISDBHSA-N 2 1 311.514 2.687 20 0 DFADMP C[C@@H](O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000341332933 428034104 /nfs/dbraw/zinc/03/41/04/428034104.db2.gz XSRTWAQJFREQBA-AKPRKHDMSA-N 2 1 302.462 2.931 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCO1 ZINC000359864195 428051184 /nfs/dbraw/zinc/05/11/84/428051184.db2.gz AUYVWWHSBBVSTB-BRIYLRKRSA-N 2 1 324.509 2.671 20 0 DFADMP CCCC[N@@H+](CCOC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346184738 428057743 /nfs/dbraw/zinc/05/77/43/428057743.db2.gz XEIDXGGLXGZCHH-UHFFFAOYSA-N 2 1 302.422 2.824 20 0 DFADMP CCOC[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346186259 428058831 /nfs/dbraw/zinc/05/88/31/428058831.db2.gz YJFYGOSGOYRSLU-MRXNPFEDSA-N 2 1 314.433 2.824 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2c[nH]c3ccc(F)cc23)CC1 ZINC000346065838 428007869 /nfs/dbraw/zinc/00/78/69/428007869.db2.gz JZCGMVGGKUPHEW-UHFFFAOYSA-N 2 1 319.424 2.550 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212300 428073293 /nfs/dbraw/zinc/07/32/93/428073293.db2.gz QCZGTFSNRFCPKG-CABCVRRESA-N 2 1 304.438 2.611 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212300 428073297 /nfs/dbraw/zinc/07/32/97/428073297.db2.gz QCZGTFSNRFCPKG-CABCVRRESA-N 2 1 304.438 2.611 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212300 428073304 /nfs/dbraw/zinc/07/33/04/428073304.db2.gz QCZGTFSNRFCPKG-CABCVRRESA-N 2 1 304.438 2.611 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000346212300 428073310 /nfs/dbraw/zinc/07/33/10/428073310.db2.gz QCZGTFSNRFCPKG-CABCVRRESA-N 2 1 304.438 2.611 20 0 DFADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC3CCCC3)CCCN2C)cn1 ZINC000377168384 428075389 /nfs/dbraw/zinc/07/53/89/428075389.db2.gz LAAFUERVPDCNOJ-FUHWJXTLSA-N 2 1 304.482 2.925 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000369937838 428093705 /nfs/dbraw/zinc/09/37/05/428093705.db2.gz WCDVOGYUKFRPAE-MRXNPFEDSA-N 2 1 318.465 2.512 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1nc2cccnc2s1 ZINC000341573494 428110812 /nfs/dbraw/zinc/11/08/12/428110812.db2.gz DSLPMWZHXTUQJZ-CYBMUJFWSA-N 2 1 304.463 2.998 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000356296737 428111032 /nfs/dbraw/zinc/11/10/32/428111032.db2.gz VZAQKFPACVNYAU-AWEZNQCLSA-N 2 1 306.454 2.522 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859721 428113757 /nfs/dbraw/zinc/11/37/57/428113757.db2.gz GXVDVVUIUMQFGE-OSFYFWSMSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859721 428113759 /nfs/dbraw/zinc/11/37/59/428113759.db2.gz GXVDVVUIUMQFGE-OSFYFWSMSA-N 2 1 323.868 2.575 20 0 DFADMP CC[NH+](CC)CCN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370022523 428114345 /nfs/dbraw/zinc/11/43/45/428114345.db2.gz STRGYVGRACPXGR-INIZCTEOSA-N 2 1 304.482 2.741 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351863736 428114518 /nfs/dbraw/zinc/11/45/18/428114518.db2.gz UUFJXQFQOALFJM-ONIAQPFYSA-N 2 1 317.477 2.702 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351863736 428114520 /nfs/dbraw/zinc/11/45/20/428114520.db2.gz UUFJXQFQOALFJM-ONIAQPFYSA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000351865852 428117033 /nfs/dbraw/zinc/11/70/33/428117033.db2.gz PFZLGROMTFZILB-DZKIICNBSA-N 2 1 311.429 2.836 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000351865852 428117035 /nfs/dbraw/zinc/11/70/35/428117035.db2.gz PFZLGROMTFZILB-DZKIICNBSA-N 2 1 311.429 2.836 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360017280 428118128 /nfs/dbraw/zinc/11/81/28/428118128.db2.gz QJQKMNFRLGTUBG-QGZVFWFLSA-N 2 1 318.461 2.664 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360017280 428118136 /nfs/dbraw/zinc/11/81/36/428118136.db2.gz QJQKMNFRLGTUBG-QGZVFWFLSA-N 2 1 318.461 2.664 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360017280 428118141 /nfs/dbraw/zinc/11/81/41/428118141.db2.gz QJQKMNFRLGTUBG-QGZVFWFLSA-N 2 1 318.461 2.664 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360017280 428118144 /nfs/dbraw/zinc/11/81/44/428118144.db2.gz QJQKMNFRLGTUBG-QGZVFWFLSA-N 2 1 318.461 2.664 20 0 DFADMP CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351967404 428119191 /nfs/dbraw/zinc/11/91/91/428119191.db2.gz LIEGNXWVCIIDIB-RDJZCZTQSA-N 2 1 306.450 2.533 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000360018406 428119657 /nfs/dbraw/zinc/11/96/57/428119657.db2.gz QHRYTIDYJDMHAA-CJNGLKHVSA-N 2 1 313.401 2.710 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)s1 ZINC000360022202 428120790 /nfs/dbraw/zinc/12/07/90/428120790.db2.gz XKRAJNIFKPINJU-AAEUAGOBSA-N 2 1 320.462 2.503 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCCO2 ZINC000360020249 428120860 /nfs/dbraw/zinc/12/08/60/428120860.db2.gz UINDMYDJDDDKQL-ZFWWWQNUSA-N 2 1 313.401 2.710 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)C(C)C)cc2)CC1 ZINC000360028536 428124086 /nfs/dbraw/zinc/12/40/86/428124086.db2.gz FZVMZULVHDNPAX-QGZVFWFLSA-N 2 1 303.494 2.958 20 0 DFADMP OCC[N@@H+](Cc1cc(-n2ccnc2)cs1)Cc1ccccc1 ZINC000346201901 428066397 /nfs/dbraw/zinc/06/63/97/428066397.db2.gz HZXXOPPMZUAHEH-UHFFFAOYSA-N 2 1 313.426 2.928 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000346338562 428132412 /nfs/dbraw/zinc/13/24/12/428132412.db2.gz RDGYAAUTRVNHOM-GBESFXJTSA-N 2 1 316.489 2.847 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000346338562 428132416 /nfs/dbraw/zinc/13/24/16/428132416.db2.gz RDGYAAUTRVNHOM-GBESFXJTSA-N 2 1 316.489 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000346338562 428132418 /nfs/dbraw/zinc/13/24/18/428132418.db2.gz RDGYAAUTRVNHOM-GBESFXJTSA-N 2 1 316.489 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000346338562 428132422 /nfs/dbraw/zinc/13/24/22/428132422.db2.gz RDGYAAUTRVNHOM-GBESFXJTSA-N 2 1 316.489 2.847 20 0 DFADMP [NH3+]CCC[N@H+](Cc1c[nH]nc1-c1cccnc1)CC1CCCC1 ZINC000352540552 428142229 /nfs/dbraw/zinc/14/22/29/428142229.db2.gz MOXSHORAIUTGGM-UHFFFAOYSA-N 2 1 313.449 2.813 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]C2CC(c3ccccn3)C2)CC1 ZINC000377656778 428183780 /nfs/dbraw/zinc/18/37/80/428183780.db2.gz YSBQJBHBWOTONP-UHFFFAOYSA-N 2 1 317.477 2.807 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000346424559 428163939 /nfs/dbraw/zinc/16/39/39/428163939.db2.gz CTIATEXLQDMEDU-QYZOEREBSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](CC[C@@H]2CCCO2)CC1 ZINC000346424559 428163946 /nfs/dbraw/zinc/16/39/46/428163946.db2.gz CTIATEXLQDMEDU-QYZOEREBSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000346424559 428163954 /nfs/dbraw/zinc/16/39/54/428163954.db2.gz CTIATEXLQDMEDU-QYZOEREBSA-N 2 1 324.509 2.911 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CCCO2)cc1F ZINC000346434711 428169560 /nfs/dbraw/zinc/16/95/60/428169560.db2.gz BQTOPCQZGRTXII-PXAZEXFGSA-N 2 1 303.381 2.977 20 0 DFADMP Cc1cccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000377623450 428173580 /nfs/dbraw/zinc/17/35/80/428173580.db2.gz JLFZACOOCCJGGC-LJQANCHMSA-N 2 1 315.505 2.763 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000346444926 428174143 /nfs/dbraw/zinc/17/41/43/428174143.db2.gz MLMRBDXGFMMXNH-RYUDHWBXSA-N 2 1 314.367 2.708 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000346444926 428174147 /nfs/dbraw/zinc/17/41/47/428174147.db2.gz MLMRBDXGFMMXNH-RYUDHWBXSA-N 2 1 314.367 2.708 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000346444926 428174152 /nfs/dbraw/zinc/17/41/52/428174152.db2.gz MLMRBDXGFMMXNH-RYUDHWBXSA-N 2 1 314.367 2.708 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000377647109 428181234 /nfs/dbraw/zinc/18/12/34/428181234.db2.gz LNSGHWMVRSXENK-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000370406958 428205566 /nfs/dbraw/zinc/20/55/66/428205566.db2.gz OVTHJNVTHACACQ-INIZCTEOSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000370406958 428205572 /nfs/dbraw/zinc/20/55/72/428205572.db2.gz OVTHJNVTHACACQ-INIZCTEOSA-N 2 1 312.417 2.536 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCO[C@H](C)C3)C2)[nH+]1 ZINC000352695193 428208278 /nfs/dbraw/zinc/20/82/78/428208278.db2.gz TZBRBPIBOFZOCM-IKGGRYGDSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCO[C@H](C)C3)C2)[nH+]1 ZINC000352695193 428208283 /nfs/dbraw/zinc/20/82/83/428208283.db2.gz TZBRBPIBOFZOCM-IKGGRYGDSA-N 2 1 303.450 2.939 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000356517020 428212730 /nfs/dbraw/zinc/21/27/30/428212730.db2.gz GAPILWASZNHKMN-VAMGGRTRSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000356517020 428212733 /nfs/dbraw/zinc/21/27/33/428212733.db2.gz GAPILWASZNHKMN-VAMGGRTRSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000356517020 428212737 /nfs/dbraw/zinc/21/27/37/428212737.db2.gz GAPILWASZNHKMN-VAMGGRTRSA-N 2 1 314.473 2.867 20 0 DFADMP Cc1oncc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377730932 428212806 /nfs/dbraw/zinc/21/28/06/428212806.db2.gz AOJGOBCTLJZUBT-IEBWSBKVSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377730932 428212812 /nfs/dbraw/zinc/21/28/12/428212812.db2.gz AOJGOBCTLJZUBT-IEBWSBKVSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377730932 428212815 /nfs/dbraw/zinc/21/28/15/428212815.db2.gz AOJGOBCTLJZUBT-IEBWSBKVSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377730932 428212821 /nfs/dbraw/zinc/21/28/21/428212821.db2.gz AOJGOBCTLJZUBT-IEBWSBKVSA-N 2 1 311.429 2.937 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414132388 428215658 /nfs/dbraw/zinc/21/56/58/428215658.db2.gz ZEIRAQAENYLHTQ-RDJZCZTQSA-N 2 1 305.466 2.875 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@@H](C)Cc1ccc(OC)nc1 ZINC000414132388 428215664 /nfs/dbraw/zinc/21/56/64/428215664.db2.gz ZEIRAQAENYLHTQ-RDJZCZTQSA-N 2 1 305.466 2.875 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H]2SCCc3ccccc32)CC1 ZINC000360240712 428217941 /nfs/dbraw/zinc/21/79/41/428217941.db2.gz WKWGZOARTGJTKJ-SFHVURJKSA-N 2 1 320.502 2.717 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000356528269 428218792 /nfs/dbraw/zinc/21/87/92/428218792.db2.gz BIZQMTNAVUXEAX-CVEARBPZSA-N 2 1 319.493 2.790 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000377758716 428220033 /nfs/dbraw/zinc/22/00/33/428220033.db2.gz DITRYDWEKAHJLJ-MOPGFXCFSA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000377758716 428220042 /nfs/dbraw/zinc/22/00/42/428220042.db2.gz DITRYDWEKAHJLJ-MOPGFXCFSA-N 2 1 319.468 2.989 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccc2)c2ccncn2)C1 ZINC000414169063 428222325 /nfs/dbraw/zinc/22/23/25/428222325.db2.gz AWVHEDMXIYPDHJ-LPHOPBHVSA-N 2 1 310.445 2.888 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c(C)n2n1 ZINC000414169643 428222639 /nfs/dbraw/zinc/22/26/39/428222639.db2.gz BFZUEDBUUUUVJF-GDBMZVCRSA-N 2 1 315.465 2.729 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000414168619 428222762 /nfs/dbraw/zinc/22/27/62/428222762.db2.gz AODBIGINGVXNLG-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1CC[C@@H]1CCCC[N@@H+]1C ZINC000370495682 428223030 /nfs/dbraw/zinc/22/30/30/428223030.db2.gz BQTFCUJODHVGQL-OKZBNKHCSA-N 2 1 321.509 2.726 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1CC[C@@H]1CCCC[N@H+]1C ZINC000370495682 428223034 /nfs/dbraw/zinc/22/30/34/428223034.db2.gz BQTFCUJODHVGQL-OKZBNKHCSA-N 2 1 321.509 2.726 20 0 DFADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000414181167 428227984 /nfs/dbraw/zinc/22/79/84/428227984.db2.gz MCTXLOUAQRSGAR-RHSMWYFYSA-N 2 1 316.424 2.960 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000414181167 428227992 /nfs/dbraw/zinc/22/79/92/428227992.db2.gz MCTXLOUAQRSGAR-RHSMWYFYSA-N 2 1 316.424 2.960 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000414199473 428231952 /nfs/dbraw/zinc/23/19/52/428231952.db2.gz XFZNETFSQFFDHS-LSDHHAIUSA-N 2 1 316.449 2.772 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCOC3(CCCC3)C2)s1 ZINC000352760340 428234606 /nfs/dbraw/zinc/23/46/06/428234606.db2.gz OQLVAEDCMWBYIC-ZDUSSCGKSA-N 2 1 309.479 2.786 20 0 DFADMP COc1cccc(C[C@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352756736 428235595 /nfs/dbraw/zinc/23/55/95/428235595.db2.gz CSTQTHNPTZZHFX-ZDUSSCGKSA-N 2 1 319.474 2.934 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000370553611 428238371 /nfs/dbraw/zinc/23/83/71/428238371.db2.gz HWRUEKWKRZOBBD-CQSZACIVSA-N 2 1 319.371 2.751 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000370553611 428238374 /nfs/dbraw/zinc/23/83/74/428238374.db2.gz HWRUEKWKRZOBBD-CQSZACIVSA-N 2 1 319.371 2.751 20 0 DFADMP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc2c1OCO2 ZINC000360167818 428189779 /nfs/dbraw/zinc/18/97/79/428189779.db2.gz FFAKWCAJKAZHTR-UHFFFAOYSA-N 2 1 320.433 2.636 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cn1 ZINC000360168098 428190111 /nfs/dbraw/zinc/19/01/11/428190111.db2.gz IUBDEDUDLCJWDB-UHFFFAOYSA-N 2 1 304.482 2.749 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377682397 428193268 /nfs/dbraw/zinc/19/32/68/428193268.db2.gz SQLGYBKMLFVXEI-INIZCTEOSA-N 2 1 313.401 2.503 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377682397 428193274 /nfs/dbraw/zinc/19/32/74/428193274.db2.gz SQLGYBKMLFVXEI-INIZCTEOSA-N 2 1 313.401 2.503 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000377691617 428196813 /nfs/dbraw/zinc/19/68/13/428196813.db2.gz IFCRLFCGRDQEQA-KBPBESRZSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000377691617 428196821 /nfs/dbraw/zinc/19/68/21/428196821.db2.gz IFCRLFCGRDQEQA-KBPBESRZSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000360355864 428266047 /nfs/dbraw/zinc/26/60/47/428266047.db2.gz RYJWJTJWDSSWJN-QGZVFWFLSA-N 2 1 304.434 2.984 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351902 428266499 /nfs/dbraw/zinc/26/64/99/428266499.db2.gz SLMBEHNXBONBLM-DEICHXMPSA-N 2 1 305.441 2.723 20 0 DFADMP OC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCC1 ZINC000352828714 428267975 /nfs/dbraw/zinc/26/79/75/428267975.db2.gz ZBFSOLOOPTWVQU-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP OC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000352828714 428267980 /nfs/dbraw/zinc/26/79/80/428267980.db2.gz ZBFSOLOOPTWVQU-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP OC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000352828714 428267983 /nfs/dbraw/zinc/26/79/83/428267983.db2.gz ZBFSOLOOPTWVQU-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414347447 428268367 /nfs/dbraw/zinc/26/83/67/428268367.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347447 428268373 /nfs/dbraw/zinc/26/83/73/428268373.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347447 428268377 /nfs/dbraw/zinc/26/83/77/428268377.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347447 428268385 /nfs/dbraw/zinc/26/83/85/428268385.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347447 428268391 /nfs/dbraw/zinc/26/83/91/428268391.db2.gz QZUUIDOFWBHLMA-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP COc1cc(C[N@@H+](C)CC(C)(C)C[NH3+])cc(Cl)c1OC ZINC000346682730 428270816 /nfs/dbraw/zinc/27/08/16/428270816.db2.gz PLGUGSJIACIJOR-UHFFFAOYSA-N 2 1 300.830 2.774 20 0 DFADMP CC[N@H+]1CCc2c(cccc2NC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000370686082 428272713 /nfs/dbraw/zinc/27/27/13/428272713.db2.gz NUFAWOHYHSSJJB-KRWDZBQOSA-N 2 1 303.450 2.589 20 0 DFADMP COc1sc(C[NH+]2CCC(C[NH3+])CC2)cc1Br ZINC000346688000 428273184 /nfs/dbraw/zinc/27/31/84/428273184.db2.gz NJLUJRRCJHBHPD-UHFFFAOYSA-N 2 1 319.268 2.690 20 0 DFADMP CCc1ncc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cn1 ZINC000414363950 428274093 /nfs/dbraw/zinc/27/40/93/428274093.db2.gz ZBKUFHPQDAJECN-UHFFFAOYSA-N 2 1 311.433 2.501 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693733 428275097 /nfs/dbraw/zinc/27/50/97/428275097.db2.gz PFHZNTMXSMCIIT-QWRGUYRKSA-N 2 1 306.360 2.524 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693733 428275106 /nfs/dbraw/zinc/27/51/06/428275106.db2.gz PFHZNTMXSMCIIT-QWRGUYRKSA-N 2 1 306.360 2.524 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000346695230 428276123 /nfs/dbraw/zinc/27/61/23/428276123.db2.gz ZBQHODSTOWFJEK-QGZVFWFLSA-N 2 1 304.413 2.817 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000346695230 428276129 /nfs/dbraw/zinc/27/61/29/428276129.db2.gz ZBQHODSTOWFJEK-QGZVFWFLSA-N 2 1 304.413 2.817 20 0 DFADMP COc1ccc(OC(F)F)c(C[N@H+](C)CC(C)(C)C[NH3+])c1 ZINC000346695243 428276270 /nfs/dbraw/zinc/27/62/70/428276270.db2.gz ZFXXMNAGAHGBDJ-UHFFFAOYSA-N 2 1 302.365 2.713 20 0 DFADMP COc1ccc(OC(F)F)c(C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000346695243 428276273 /nfs/dbraw/zinc/27/62/73/428276273.db2.gz ZFXXMNAGAHGBDJ-UHFFFAOYSA-N 2 1 302.365 2.713 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346692452 428276687 /nfs/dbraw/zinc/27/66/87/428276687.db2.gz ZAVQHQIIVZFSBX-NEPJUHHUSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693418 428277123 /nfs/dbraw/zinc/27/71/23/428277123.db2.gz NAPZSTKZYMMDDC-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000414376472 428278320 /nfs/dbraw/zinc/27/83/20/428278320.db2.gz COQMAPCRSIFAER-DLBZAZTESA-N 2 1 302.466 2.871 20 0 DFADMP Cc1nn2c(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000346700345 428279935 /nfs/dbraw/zinc/27/99/35/428279935.db2.gz GVEZJKPYMWFDEP-DGCLKSJQSA-N 2 1 321.494 2.795 20 0 DFADMP Cc1nn2c(C[NH2+][C@@H]3CCN(C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000346700345 428279940 /nfs/dbraw/zinc/27/99/40/428279940.db2.gz GVEZJKPYMWFDEP-DGCLKSJQSA-N 2 1 321.494 2.795 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1F ZINC000370708305 428281503 /nfs/dbraw/zinc/28/15/03/428281503.db2.gz PMHMXNCDONEFRL-APWZRJJASA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1F ZINC000370708305 428281509 /nfs/dbraw/zinc/28/15/09/428281509.db2.gz PMHMXNCDONEFRL-APWZRJJASA-N 2 1 319.468 2.592 20 0 DFADMP Cn1ccnc1[C@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000370726208 428284595 /nfs/dbraw/zinc/28/45/95/428284595.db2.gz ZFGJQVUMQUCLCZ-HNNXBMFYSA-N 2 1 323.400 2.850 20 0 DFADMP CSc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000352860315 428285493 /nfs/dbraw/zinc/28/54/93/428285493.db2.gz ANWDAXCYXUVZHD-UHFFFAOYSA-N 2 1 313.536 2.586 20 0 DFADMP CC[N@H+]1CCc2c(cccc2NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000378002342 428285634 /nfs/dbraw/zinc/28/56/34/428285634.db2.gz QNGTVHCOFJVLCT-GJZGRUSLSA-N 2 1 315.461 2.733 20 0 DFADMP CC[NH+]1CCc2c(cccc2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000378002342 428285638 /nfs/dbraw/zinc/28/56/38/428285638.db2.gz QNGTVHCOFJVLCT-GJZGRUSLSA-N 2 1 315.461 2.733 20 0 DFADMP CC[NH+]1CCc2c(cccc2NC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000378002342 428285641 /nfs/dbraw/zinc/28/56/41/428285641.db2.gz QNGTVHCOFJVLCT-GJZGRUSLSA-N 2 1 315.461 2.733 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000356740895 428290882 /nfs/dbraw/zinc/29/08/82/428290882.db2.gz LEBAEJVFEXCJNU-WMZOPIPTSA-N 2 1 319.493 2.742 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000356740895 428290887 /nfs/dbraw/zinc/29/08/87/428290887.db2.gz LEBAEJVFEXCJNU-WMZOPIPTSA-N 2 1 319.493 2.742 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000356740895 428290893 /nfs/dbraw/zinc/29/08/93/428290893.db2.gz LEBAEJVFEXCJNU-WMZOPIPTSA-N 2 1 319.493 2.742 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cnccn2)cc1 ZINC000341881778 428242451 /nfs/dbraw/zinc/24/24/51/428242451.db2.gz ZDMXXLRDHISVTP-AWEZNQCLSA-N 2 1 307.401 2.864 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000352776570 428242819 /nfs/dbraw/zinc/24/28/19/428242819.db2.gz UBLGAFGBRDWSCJ-HZPDHXFCSA-N 2 1 318.465 2.531 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000352776570 428242825 /nfs/dbraw/zinc/24/28/25/428242825.db2.gz UBLGAFGBRDWSCJ-HZPDHXFCSA-N 2 1 318.465 2.531 20 0 DFADMP Cc1nc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)sc1C ZINC000352784556 428248217 /nfs/dbraw/zinc/24/82/17/428248217.db2.gz DYSJKWWOQMLNRM-UHFFFAOYSA-N 2 1 310.492 2.610 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370600081 428249577 /nfs/dbraw/zinc/24/95/77/428249577.db2.gz STQBUQCYSNWOSD-NEWSRXKRSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370600081 428249581 /nfs/dbraw/zinc/24/95/81/428249581.db2.gz STQBUQCYSNWOSD-NEWSRXKRSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370600081 428249584 /nfs/dbraw/zinc/24/95/84/428249584.db2.gz STQBUQCYSNWOSD-NEWSRXKRSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000370600081 428249589 /nfs/dbraw/zinc/24/95/89/428249589.db2.gz STQBUQCYSNWOSD-NEWSRXKRSA-N 2 1 314.429 2.528 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2c(s1)CCC2 ZINC000360330448 428254622 /nfs/dbraw/zinc/25/46/22/428254622.db2.gz UNLFMUYUXJPXPD-ZDUSSCGKSA-N 2 1 308.491 2.734 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1F ZINC000377886281 428256028 /nfs/dbraw/zinc/25/60/28/428256028.db2.gz ZZCDKSMFDPVHPZ-HNNXBMFYSA-N 2 1 306.425 2.998 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342120365 428307271 /nfs/dbraw/zinc/30/72/71/428307271.db2.gz HYROBYAXHJRZSF-QXRTWZOPSA-N 2 1 315.461 2.635 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342120365 428307277 /nfs/dbraw/zinc/30/72/77/428307277.db2.gz HYROBYAXHJRZSF-QXRTWZOPSA-N 2 1 315.461 2.635 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342116736 428309003 /nfs/dbraw/zinc/30/90/03/428309003.db2.gz YQGWKGQOOHVBEC-BVUBDWEXSA-N 2 1 312.417 2.857 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342116736 428309008 /nfs/dbraw/zinc/30/90/08/428309008.db2.gz YQGWKGQOOHVBEC-BVUBDWEXSA-N 2 1 312.417 2.857 20 0 DFADMP CN(CC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352912473 428309465 /nfs/dbraw/zinc/30/94/65/428309465.db2.gz DKPGRCWPYSTFRF-PBWFPOADSA-N 2 1 321.852 2.836 20 0 DFADMP [NH3+]CCN(c1ccc2ccccc2n1)[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414485313 428314078 /nfs/dbraw/zinc/31/40/78/428314078.db2.gz HWXZEAKLLWVYOU-SJORKVTESA-N 2 1 310.445 2.627 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000356806583 428315820 /nfs/dbraw/zinc/31/58/20/428315820.db2.gz NFFHXNDXDTYBOH-INIZCTEOSA-N 2 1 317.477 2.741 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@H](C)C1 ZINC000346785693 428316788 /nfs/dbraw/zinc/31/67/88/428316788.db2.gz CXNIQYROECFKAW-IKGGRYGDSA-N 2 1 314.539 2.999 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)c1ccccc1 ZINC000356833573 428329856 /nfs/dbraw/zinc/32/98/56/428329856.db2.gz YGQBJNDKXCDXJA-RDJZCZTQSA-N 2 1 305.466 2.524 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356833573 428329861 /nfs/dbraw/zinc/32/98/61/428329861.db2.gz YGQBJNDKXCDXJA-RDJZCZTQSA-N 2 1 305.466 2.524 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000356833573 428329866 /nfs/dbraw/zinc/32/98/66/428329866.db2.gz YGQBJNDKXCDXJA-RDJZCZTQSA-N 2 1 305.466 2.524 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)C[C@@H]21 ZINC000346824082 428331412 /nfs/dbraw/zinc/33/14/12/428331412.db2.gz KXGYJBHHAUJSPJ-RVKKMQEKSA-N 2 1 317.452 2.985 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2cccs2)n1 ZINC000346824056 428331983 /nfs/dbraw/zinc/33/19/83/428331983.db2.gz KWIOQPTWQGRQHE-AEGPPILISA-N 2 1 316.474 2.708 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)C[C@H]21 ZINC000346824077 428332135 /nfs/dbraw/zinc/33/21/35/428332135.db2.gz KXGYJBHHAUJSPJ-IIDMSEBBSA-N 2 1 317.452 2.985 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)C[C@@H]12 ZINC000346826739 428335270 /nfs/dbraw/zinc/33/52/70/428335270.db2.gz MMPUXPOGZYPBQJ-JJRVBVJISA-N 2 1 303.425 2.595 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000378206761 428335719 /nfs/dbraw/zinc/33/57/19/428335719.db2.gz AIOLQWZMYCMKMQ-MRXNPFEDSA-N 2 1 318.465 2.560 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)CC2CC[NH2+]CC2)C1 ZINC000378206760 428335796 /nfs/dbraw/zinc/33/57/96/428335796.db2.gz AIOLQWZMYCMKMQ-INIZCTEOSA-N 2 1 318.465 2.560 20 0 DFADMP CCCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346831310 428337109 /nfs/dbraw/zinc/33/71/09/428337109.db2.gz XRZZXDCILVAOIT-HRCADAONSA-N 2 1 304.434 2.653 20 0 DFADMP c1ccc(C[N@@H+](CC2CCOCC2)C[C@@H]2CCC[NH2+]C2)cc1 ZINC000346838897 428340097 /nfs/dbraw/zinc/34/00/97/428340097.db2.gz RXASOEPLMSJNGN-LJQANCHMSA-N 2 1 302.462 2.915 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@@H]12 ZINC000346850598 428345472 /nfs/dbraw/zinc/34/54/72/428345472.db2.gz UTBNJAIPKQBPPF-ATZDWAIDSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@@H]12 ZINC000346850603 428345630 /nfs/dbraw/zinc/34/56/30/428345630.db2.gz UTBNJAIPKQBPPF-KFKAGJAMSA-N 2 1 323.440 2.830 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H](CO)C3)sc2C1 ZINC000414569114 428345701 /nfs/dbraw/zinc/34/57/01/428345701.db2.gz IGKYWFWXJYKWLV-UONOGXRCSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H](CO)C3)sc2C1 ZINC000414569114 428345706 /nfs/dbraw/zinc/34/57/06/428345706.db2.gz IGKYWFWXJYKWLV-UONOGXRCSA-N 2 1 323.506 2.550 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346851087 428346237 /nfs/dbraw/zinc/34/62/37/428346237.db2.gz QEGJQCABTNCIPE-ARFHVFGLSA-N 2 1 304.434 2.653 20 0 DFADMP CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000378252428 428347347 /nfs/dbraw/zinc/34/73/47/428347347.db2.gz YZKBAUPOZDKUOE-IPMKNSEASA-N 2 1 302.462 2.933 20 0 DFADMP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000356887505 428350644 /nfs/dbraw/zinc/35/06/44/428350644.db2.gz YOWYGPGAWFLSJL-WBVHZDCISA-N 2 1 305.466 2.532 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342100408 428299289 /nfs/dbraw/zinc/29/92/89/428299289.db2.gz KDTUTDQXKMSYKX-QAETUUGQSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342100408 428299299 /nfs/dbraw/zinc/29/92/99/428299299.db2.gz KDTUTDQXKMSYKX-QAETUUGQSA-N 2 1 315.461 2.690 20 0 DFADMP O=C(NCCCCC[NH+]1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000357112583 428392940 /nfs/dbraw/zinc/39/29/40/428392940.db2.gz CSYYDIPUKZRQAC-GOSISDBHSA-N 2 1 321.509 2.776 20 0 DFADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414745692 428393380 /nfs/dbraw/zinc/39/33/80/428393380.db2.gz RCXDJOFSXRPYBJ-KZNAEPCWSA-N 2 1 301.478 2.975 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CCNC[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746367 428393595 /nfs/dbraw/zinc/39/35/95/428393595.db2.gz ZDSVMGOJXDWDQZ-KEYYUXOJSA-N 2 1 307.869 2.674 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746367 428393598 /nfs/dbraw/zinc/39/35/98/428393598.db2.gz ZDSVMGOJXDWDQZ-KEYYUXOJSA-N 2 1 307.869 2.674 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@H]1c1ccccc1 ZINC000371517491 428394221 /nfs/dbraw/zinc/39/42/21/428394221.db2.gz FDRGTELHYOWOPG-CJGGRQNCSA-N 2 1 315.505 2.998 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000371517491 428394223 /nfs/dbraw/zinc/39/42/23/428394223.db2.gz FDRGTELHYOWOPG-CJGGRQNCSA-N 3 1 315.505 2.998 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000371517491 428394224 /nfs/dbraw/zinc/39/42/24/428394224.db2.gz FDRGTELHYOWOPG-CJGGRQNCSA-N 3 1 315.505 2.998 20 0 DFADMP COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000346989563 428396719 /nfs/dbraw/zinc/39/67/19/428396719.db2.gz RVJICUACJBDCRL-GOSISDBHSA-N 2 1 320.477 2.576 20 0 DFADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371588064 428397031 /nfs/dbraw/zinc/39/70/31/428397031.db2.gz JKOGLADKKVRMBZ-DZGCQCFKSA-N 2 1 301.365 2.841 20 0 DFADMP C[C@H]1CCc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2C1 ZINC000414763385 428398611 /nfs/dbraw/zinc/39/86/11/428398611.db2.gz BTMGOCYELCFFGU-MELADBBJSA-N 2 1 305.491 2.699 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC[NH2+]C1 ZINC000346992409 428399201 /nfs/dbraw/zinc/39/92/01/428399201.db2.gz UCFGPKFFKYYJGJ-PMACEKPBSA-N 2 1 315.505 2.830 20 0 DFADMP CC(C)(C)[NH2+]CCN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414770943 428399242 /nfs/dbraw/zinc/39/92/42/428399242.db2.gz YWRLWITYJJLSIR-OAHLLOKOSA-N 2 1 304.482 2.787 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414772725 428399607 /nfs/dbraw/zinc/39/96/07/428399607.db2.gz VJBRBNRYZNBLEQ-OKILXGFUSA-N 2 1 314.408 2.647 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000346994038 428400696 /nfs/dbraw/zinc/40/06/96/428400696.db2.gz BQFVUOBULXDIIZ-CYBMUJFWSA-N 2 1 304.463 2.580 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000346994038 428400704 /nfs/dbraw/zinc/40/07/04/428400704.db2.gz BQFVUOBULXDIIZ-CYBMUJFWSA-N 2 1 304.463 2.580 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC12CCOCC2 ZINC000414773225 428401989 /nfs/dbraw/zinc/40/19/89/428401989.db2.gz DFAZFYKSHOPYHT-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC12CCOCC2 ZINC000414773225 428401993 /nfs/dbraw/zinc/40/19/93/428401993.db2.gz DFAZFYKSHOPYHT-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CC12CCOCC2 ZINC000414774119 428402276 /nfs/dbraw/zinc/40/22/76/428402276.db2.gz FHXYUQDHCFFEDD-AWEZNQCLSA-N 2 1 321.490 2.598 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000414776713 428405306 /nfs/dbraw/zinc/40/53/06/428405306.db2.gz HNFYDPFMRQBGSS-HUUCEWRRSA-N 2 1 314.433 2.800 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783145 428406729 /nfs/dbraw/zinc/40/67/29/428406729.db2.gz PKCWOJIVEWNVJM-SJORKVTESA-N 2 1 310.445 2.694 20 0 DFADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357146147 428407602 /nfs/dbraw/zinc/40/76/02/428407602.db2.gz MKTLUXYCRSSWHT-AEFFLSMTSA-N 2 1 311.404 2.929 20 0 DFADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357146147 428407605 /nfs/dbraw/zinc/40/76/05/428407605.db2.gz MKTLUXYCRSSWHT-AEFFLSMTSA-N 2 1 311.404 2.929 20 0 DFADMP CCSc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414782020 428407947 /nfs/dbraw/zinc/40/79/47/428407947.db2.gz NXACQYVFQAHLFC-INIZCTEOSA-N 2 1 320.502 2.986 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000347031508 428412690 /nfs/dbraw/zinc/41/26/90/428412690.db2.gz CCYXPOSHNMYLGL-CABCVRRESA-N 2 1 311.514 2.780 20 0 DFADMP CC[C@@H](c1nc(C2(N)CCC2)no1)N(C)Cc1ccccc1 ZINC000414625047 428357342 /nfs/dbraw/zinc/35/73/42/428357342.db2.gz HYUYBJXQRYDOHS-AWEZNQCLSA-N 2 1 300.406 2.991 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000414654272 428364851 /nfs/dbraw/zinc/36/48/51/428364851.db2.gz BTCMOPTXJNREBN-UHFFFAOYSA-N 2 1 304.413 2.737 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000414654272 428364855 /nfs/dbraw/zinc/36/48/55/428364855.db2.gz BTCMOPTXJNREBN-UHFFFAOYSA-N 2 1 304.413 2.737 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000360604149 428365001 /nfs/dbraw/zinc/36/50/01/428365001.db2.gz IXZZZPBCKXOSKJ-OAHLLOKOSA-N 2 1 306.454 2.510 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000360604149 428365005 /nfs/dbraw/zinc/36/50/05/428365005.db2.gz IXZZZPBCKXOSKJ-OAHLLOKOSA-N 2 1 306.454 2.510 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360610673 428368147 /nfs/dbraw/zinc/36/81/47/428368147.db2.gz DPLKCCNNSJZWEG-HNNXBMFYSA-N 2 1 307.413 2.919 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360610673 428368153 /nfs/dbraw/zinc/36/81/53/428368153.db2.gz DPLKCCNNSJZWEG-HNNXBMFYSA-N 2 1 307.413 2.919 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC[N@@H+]1C ZINC000360616076 428371663 /nfs/dbraw/zinc/37/16/63/428371663.db2.gz UDDOKJZETPJLFF-ZLDLUXBVSA-N 2 1 305.397 2.671 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC[N@H+]1C ZINC000360616076 428371668 /nfs/dbraw/zinc/37/16/68/428371668.db2.gz UDDOKJZETPJLFF-ZLDLUXBVSA-N 2 1 305.397 2.671 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000414681435 428373441 /nfs/dbraw/zinc/37/34/41/428373441.db2.gz PEYWWLXJYFIDFI-MRXNPFEDSA-N 2 1 303.450 2.711 20 0 DFADMP O=C(NC1CCCCC1)[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000371179277 428374680 /nfs/dbraw/zinc/37/46/80/428374680.db2.gz XBRMUMVQVKKTJD-KRWDZBQOSA-N 2 1 321.509 2.633 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2CC2CCCCC2)C1 ZINC000414687772 428375228 /nfs/dbraw/zinc/37/52/28/428375228.db2.gz IBGRHJAZYPZDFO-MSOLQXFVSA-N 2 1 321.509 2.619 20 0 DFADMP CCCCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)CCC ZINC000414700826 428378909 /nfs/dbraw/zinc/37/89/09/428378909.db2.gz ZVPXLEXMQLAASE-IRXDYDNUSA-N 2 1 311.514 2.865 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357073381 428380637 /nfs/dbraw/zinc/38/06/37/428380637.db2.gz LMMIRYOPPGIWQJ-CHWSQXEVSA-N 2 1 314.351 2.626 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357073381 428380644 /nfs/dbraw/zinc/38/06/44/428380644.db2.gz LMMIRYOPPGIWQJ-CHWSQXEVSA-N 2 1 314.351 2.626 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000371280289 428380633 /nfs/dbraw/zinc/38/06/33/428380633.db2.gz OQRMRMYLZWPHGL-FGTMMUONSA-N 2 1 315.461 2.552 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702399 428380693 /nfs/dbraw/zinc/38/06/93/428380693.db2.gz BJIVGDKPAZXEDY-NEWSRXKRSA-N 2 1 302.462 2.708 20 0 DFADMP CCN(C[C@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1)CC(F)(F)F ZINC000414702571 428381142 /nfs/dbraw/zinc/38/11/42/428381142.db2.gz IQTLRDVBZQYEJU-ZIAGYGMSSA-N 2 1 309.420 2.566 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1)CC(F)(F)F ZINC000414702571 428381145 /nfs/dbraw/zinc/38/11/45/428381145.db2.gz IQTLRDVBZQYEJU-ZIAGYGMSSA-N 2 1 309.420 2.566 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700884 428381187 /nfs/dbraw/zinc/38/11/87/428381187.db2.gz ZWRSXPRXBWMCGB-QYZOEREBSA-N 3 1 307.526 2.818 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000346957809 428384689 /nfs/dbraw/zinc/38/46/89/428384689.db2.gz DQTLDROAAPQHHG-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1cc([C@@H]2C[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)CCO2)ccc1F ZINC000414718548 428386185 /nfs/dbraw/zinc/38/61/85/428386185.db2.gz ZHNZEYMXQFILQK-RKVPGOIHSA-N 2 1 306.425 2.896 20 0 DFADMP Cc1ccc2ncc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)n2c1 ZINC000360777129 428433888 /nfs/dbraw/zinc/43/38/88/428433888.db2.gz KBMCQDXXEXFVGA-BPQIPLTHSA-N 2 1 310.445 2.559 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000414851184 428434107 /nfs/dbraw/zinc/43/41/07/428434107.db2.gz OVGASWFVOZSACA-JKSUJKDBSA-N 2 1 305.466 2.984 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347075889 428434964 /nfs/dbraw/zinc/43/49/64/428434964.db2.gz UUXSKAAIQNMGEK-ZDUSSCGKSA-N 2 1 302.340 2.669 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347075889 428434969 /nfs/dbraw/zinc/43/49/69/428434969.db2.gz UUXSKAAIQNMGEK-ZDUSSCGKSA-N 2 1 302.340 2.669 20 0 DFADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc(OC)c1OC ZINC000414856299 428435913 /nfs/dbraw/zinc/43/59/13/428435913.db2.gz YMUDQYALGNDGSX-OAHLLOKOSA-N 2 1 322.449 2.710 20 0 DFADMP COc1cc(C[NH2+]CC2([NH3+])CCCCCC2)cc(OC)c1OC ZINC000414864537 428437578 /nfs/dbraw/zinc/43/75/78/428437578.db2.gz ZKAVFIQCCQPPFQ-UHFFFAOYSA-N 2 1 322.449 2.854 20 0 DFADMP COCc1ccccc1/C=C(/C)C[NH+]1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000353229184 428440643 /nfs/dbraw/zinc/44/06/43/428440643.db2.gz DIUSZRGWKVOYRD-LHMGCLNVSA-N 2 1 300.446 2.730 20 0 DFADMP CCc1cc(OC)ccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875158 428442184 /nfs/dbraw/zinc/44/21/84/428442184.db2.gz IRYWZYKOYBQKOM-UHFFFAOYSA-N 2 1 313.445 2.922 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000357228511 428446257 /nfs/dbraw/zinc/44/62/57/428446257.db2.gz XZDHZEWKLVEKSV-RHSMWYFYSA-N 2 1 323.506 2.589 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000357228511 428446264 /nfs/dbraw/zinc/44/62/64/428446264.db2.gz XZDHZEWKLVEKSV-RHSMWYFYSA-N 2 1 323.506 2.589 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000357228511 428446270 /nfs/dbraw/zinc/44/62/70/428446270.db2.gz XZDHZEWKLVEKSV-RHSMWYFYSA-N 2 1 323.506 2.589 20 0 DFADMP C[C@H]1C[C@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000414901351 428449678 /nfs/dbraw/zinc/44/96/78/428449678.db2.gz GDFARDSIEQYQPM-QXAKKESOSA-N 2 1 301.478 2.771 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CNc3ccc(C[NH3+])cc3)sc2C1 ZINC000414906265 428452341 /nfs/dbraw/zinc/45/23/41/428452341.db2.gz CFBLMDLNPPMMOB-UHFFFAOYSA-N 2 1 316.474 2.980 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342845834 428470520 /nfs/dbraw/zinc/47/05/20/428470520.db2.gz XUQMOTSOFTZQJF-ROUUACIJSA-N 2 1 312.417 2.719 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360822826 428454163 /nfs/dbraw/zinc/45/41/63/428454163.db2.gz SORVHYFWKDOMEH-RBUKOAKNSA-N 2 1 317.477 2.605 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000414916793 428456979 /nfs/dbraw/zinc/45/69/79/428456979.db2.gz PBWQQFZNXMNETM-LBPRGKRZSA-N 2 1 300.349 2.528 20 0 DFADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1cccc(Cl)c1 ZINC000390179237 428470623 /nfs/dbraw/zinc/47/06/23/428470623.db2.gz REIQOHVXPCBHJI-OKILXGFUSA-N 2 1 321.852 2.600 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[NH2+]CC1)O[C@H](C)C2 ZINC000414920196 428457667 /nfs/dbraw/zinc/45/76/67/428457667.db2.gz XCIZHRZHMKRJQS-CZUORRHYSA-N 2 1 304.434 2.640 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1coc(-c3ccccc3)n1)C2 ZINC000372577257 428464565 /nfs/dbraw/zinc/46/45/65/428464565.db2.gz MXSNJDBGPAISMP-CQSZACIVSA-N 2 1 308.385 2.890 20 0 DFADMP C[C@@H]1C[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942487 428466091 /nfs/dbraw/zinc/46/60/91/428466091.db2.gz DNYNJNSNJZQAHO-SJLPKXTDSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942487 428466098 /nfs/dbraw/zinc/46/60/98/428466098.db2.gz DNYNJNSNJZQAHO-SJLPKXTDSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942487 428466103 /nfs/dbraw/zinc/46/61/03/428466103.db2.gz DNYNJNSNJZQAHO-SJLPKXTDSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414952769 428467965 /nfs/dbraw/zinc/46/79/65/428467965.db2.gz JBTLNPWEHKTNMT-BXUZGUMPSA-N 2 1 310.825 2.589 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414952770 428469412 /nfs/dbraw/zinc/46/94/12/428469412.db2.gz JBTLNPWEHKTNMT-FZMZJTMJSA-N 2 1 310.825 2.589 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347035556 428415138 /nfs/dbraw/zinc/41/51/38/428415138.db2.gz DMSKISLTGVJHLQ-DGCLKSJQSA-N 2 1 304.463 2.832 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347035556 428415142 /nfs/dbraw/zinc/41/51/42/428415142.db2.gz DMSKISLTGVJHLQ-DGCLKSJQSA-N 2 1 304.463 2.832 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347032886 428415680 /nfs/dbraw/zinc/41/56/80/428415680.db2.gz FBAXTBFLOXYCBP-CYBMUJFWSA-N 2 1 302.340 2.798 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)s1 ZINC000414804248 428416246 /nfs/dbraw/zinc/41/62/46/428416246.db2.gz OLUMNVBINBMTKE-DTWKUNHWSA-N 2 1 304.257 2.513 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000347035414 428416889 /nfs/dbraw/zinc/41/68/89/428416889.db2.gz UQLMSCUSZBQGCE-IYBDPMFKSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)Oc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414798788 428417223 /nfs/dbraw/zinc/41/72/23/428417223.db2.gz ZHBGGRRTIJZUBN-QGZVFWFLSA-N 2 1 318.461 2.661 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414799848 428417406 /nfs/dbraw/zinc/41/74/06/428417406.db2.gz DZVKKRICHIKMKR-OTYXRUKQSA-N 2 1 315.230 2.846 20 0 DFADMP COc1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc(OC)c1O ZINC000414798714 428417437 /nfs/dbraw/zinc/41/74/37/428417437.db2.gz XQVLGZSRJZITBD-UHFFFAOYSA-N 2 1 322.449 2.750 20 0 DFADMP CCCOc1c(Cl)cc(C[NH2+]CC(C)(C)[NH3+])cc1OC ZINC000414808839 428419002 /nfs/dbraw/zinc/41/90/02/428419002.db2.gz UJVQNFGXXDNWNN-UHFFFAOYSA-N 2 1 300.830 2.964 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347037982 428419165 /nfs/dbraw/zinc/41/91/65/428419165.db2.gz HXYYARSOKIAIOY-KUHUBIRLSA-N 2 1 312.461 2.717 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347037982 428419167 /nfs/dbraw/zinc/41/91/67/428419167.db2.gz HXYYARSOKIAIOY-KUHUBIRLSA-N 2 1 312.461 2.717 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[S@](=O)[C@H](C)[C@@H]1C ZINC000360735212 428419572 /nfs/dbraw/zinc/41/95/72/428419572.db2.gz GPVHFDXIFPWLMO-KIMHZCHSSA-N 2 1 317.458 2.522 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000414813985 428422805 /nfs/dbraw/zinc/42/28/05/428422805.db2.gz NCRUNNVWGYMNIH-LBPRGKRZSA-N 2 1 302.365 2.904 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414951944 428469866 /nfs/dbraw/zinc/46/98/66/428469866.db2.gz JUEINKIOWUUXFV-XUJVJEKNSA-N 2 1 309.841 2.787 20 0 DFADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000378568717 428427317 /nfs/dbraw/zinc/42/73/17/428427317.db2.gz PAGCKNWYMBSOPN-HUUCEWRRSA-N 2 1 322.522 2.822 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000378568717 428427319 /nfs/dbraw/zinc/42/73/19/428427319.db2.gz PAGCKNWYMBSOPN-HUUCEWRRSA-N 2 1 322.522 2.822 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1[NH3+] ZINC000347056406 428429038 /nfs/dbraw/zinc/42/90/38/428429038.db2.gz VBMXFZUCSJIVKN-DNVCBOLYSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]([NH2+]CC1(CO)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372336086 428429503 /nfs/dbraw/zinc/42/95/03/428429503.db2.gz CXMNZHRPRWOKGO-FUHWJXTLSA-N 2 1 302.462 2.649 20 0 DFADMP OC[C@@H]1CCCN1C[C@@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000372343172 428431741 /nfs/dbraw/zinc/43/17/41/428431741.db2.gz BOOKIEUTDNHMQR-PMACEKPBSA-N 2 1 316.489 2.930 20 0 DFADMP OC[C@@H]1CCC[N@@H+]1C[C@@H]1CCCN1CCCCc1ccccc1 ZINC000372343172 428431746 /nfs/dbraw/zinc/43/17/46/428431746.db2.gz BOOKIEUTDNHMQR-PMACEKPBSA-N 2 1 316.489 2.930 20 0 DFADMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1CCCCc1ccccc1 ZINC000372343172 428431753 /nfs/dbraw/zinc/43/17/53/428431753.db2.gz BOOKIEUTDNHMQR-PMACEKPBSA-N 2 1 316.489 2.930 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000414847704 428433279 /nfs/dbraw/zinc/43/32/79/428433279.db2.gz FXZAFIFUGAEEOB-OGWHTMIXSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)C1 ZINC000414847704 428433284 /nfs/dbraw/zinc/43/32/84/428433284.db2.gz FXZAFIFUGAEEOB-OGWHTMIXSA-N 2 1 301.478 2.800 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000342893361 428481864 /nfs/dbraw/zinc/48/18/64/428481864.db2.gz QWLBHHYRVQHYKQ-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392185011 428481917 /nfs/dbraw/zinc/48/19/17/428481917.db2.gz CNNXKAYETMKWTR-CQSZACIVSA-N 2 1 311.470 2.531 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414997882 428485534 /nfs/dbraw/zinc/48/55/34/428485534.db2.gz IALXTVOMQNWWDD-CQSZACIVSA-N 2 1 320.387 2.515 20 0 DFADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415005651 428487370 /nfs/dbraw/zinc/48/73/70/428487370.db2.gz JJWBMKQXYGDYOR-HTQZYQBOSA-N 2 1 323.181 2.876 20 0 DFADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000415005660 428487457 /nfs/dbraw/zinc/48/74/57/428487457.db2.gz JJWBMKQXYGDYOR-YUMQZZPRSA-N 2 1 323.181 2.876 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395213854 428492834 /nfs/dbraw/zinc/49/28/34/428492834.db2.gz WCWHXBCZNOWNRV-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000415033868 428493698 /nfs/dbraw/zinc/49/36/98/428493698.db2.gz CELHUKZMUSIZHV-YOEHRIQHSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000415033868 428493699 /nfs/dbraw/zinc/49/36/99/428493699.db2.gz CELHUKZMUSIZHV-YOEHRIQHSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000395368813 428494997 /nfs/dbraw/zinc/49/49/97/428494997.db2.gz OBZAYSHSELGOCX-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000395368813 428494999 /nfs/dbraw/zinc/49/49/99/428494999.db2.gz OBZAYSHSELGOCX-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000395368813 428495006 /nfs/dbraw/zinc/49/50/06/428495006.db2.gz OBZAYSHSELGOCX-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368813 428495008 /nfs/dbraw/zinc/49/50/08/428495008.db2.gz OBZAYSHSELGOCX-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368813 428495016 /nfs/dbraw/zinc/49/50/16/428495016.db2.gz OBZAYSHSELGOCX-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415037688 428495644 /nfs/dbraw/zinc/49/56/44/428495644.db2.gz HDBHADHTINBRJS-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347216029 428497001 /nfs/dbraw/zinc/49/70/01/428497001.db2.gz QZMNMILKIFAWRV-HIFRSBDPSA-N 2 1 314.433 2.645 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044259 428497492 /nfs/dbraw/zinc/49/74/92/428497492.db2.gz BOHNAUSXCKSNHZ-LRDDRELGSA-N 2 1 307.413 2.650 20 0 DFADMP CCc1cccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372740267 428498907 /nfs/dbraw/zinc/49/89/07/428498907.db2.gz MFMDKIINDAHUKY-HXUWFJFHSA-N 2 1 315.505 2.849 20 0 DFADMP Cc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1C ZINC000415046552 428499050 /nfs/dbraw/zinc/49/90/50/428499050.db2.gz CSWHNEJCZJIWQP-UHFFFAOYSA-N 2 1 301.478 2.609 20 0 DFADMP c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2c(c1)OCCCO2 ZINC000415052722 428501268 /nfs/dbraw/zinc/50/12/68/428501268.db2.gz NOAGPCQEYXWFTG-RDJZCZTQSA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c2c(c1)OCCCO2 ZINC000415052722 428501275 /nfs/dbraw/zinc/50/12/75/428501275.db2.gz NOAGPCQEYXWFTG-RDJZCZTQSA-N 2 1 316.445 2.812 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057359 428502967 /nfs/dbraw/zinc/50/29/67/428502967.db2.gz UADRGOHIBBPERQ-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415057359 428502971 /nfs/dbraw/zinc/50/29/71/428502971.db2.gz UADRGOHIBBPERQ-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@]1(C)C[NH3+] ZINC000415058034 428503957 /nfs/dbraw/zinc/50/39/57/428503957.db2.gz QZIRMROLWMVZJA-MLGOLLRUSA-N 2 1 304.463 2.565 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396698512 428504022 /nfs/dbraw/zinc/50/40/22/428504022.db2.gz KHZWGJLEEDMONN-RNIPGJKVSA-N 2 1 301.478 2.627 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(SC)cc1OC ZINC000415056459 428504443 /nfs/dbraw/zinc/50/44/43/428504443.db2.gz QIEHZYVDNXKNHC-SJKOYZFVSA-N 2 1 324.490 2.842 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(SC)cc1OC ZINC000415056459 428504450 /nfs/dbraw/zinc/50/44/50/428504450.db2.gz QIEHZYVDNXKNHC-SJKOYZFVSA-N 2 1 324.490 2.842 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397255955 428506239 /nfs/dbraw/zinc/50/62/39/428506239.db2.gz GMMHDHOIJPWBRT-IPYPFGDCSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397255955 428506242 /nfs/dbraw/zinc/50/62/42/428506242.db2.gz GMMHDHOIJPWBRT-IPYPFGDCSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(OC)c1OC ZINC000397251620 428507211 /nfs/dbraw/zinc/50/72/11/428507211.db2.gz DRMKEVGKNZBCQX-YDHLFZDLSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc(OC)c1OC ZINC000397251620 428507214 /nfs/dbraw/zinc/50/72/14/428507214.db2.gz DRMKEVGKNZBCQX-YDHLFZDLSA-N 2 1 322.449 2.518 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415069710 428508542 /nfs/dbraw/zinc/50/85/42/428508542.db2.gz TVOKGLNKYCTRRO-BBRMVZONSA-N 2 1 304.434 2.844 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN[C@@H](C[NH3+])C3CCCC3)sc2C1 ZINC000415067069 428508933 /nfs/dbraw/zinc/50/89/33/428508933.db2.gz OWPHVNXRBHEQQW-HNNXBMFYSA-N 2 1 322.522 2.517 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360956258 428509242 /nfs/dbraw/zinc/50/92/42/428509242.db2.gz UKXPSINGCLMQPY-STQMWFEESA-N 2 1 314.424 2.815 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071248 428510594 /nfs/dbraw/zinc/51/05/94/428510594.db2.gz WHMRLTMEROEIEZ-WMLDXEAASA-N 2 1 303.450 2.819 20 0 DFADMP CC[N@@H+]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000343075436 428514659 /nfs/dbraw/zinc/51/46/59/428514659.db2.gz AEXWFZAUCCQZJS-LPHOPBHVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000398026305 428518810 /nfs/dbraw/zinc/51/88/10/428518810.db2.gz MBFOMZVZAUHZIA-RNIPGJKVSA-N 2 1 301.478 2.770 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@H]2CCC[C@@H]21 ZINC000353392375 428519278 /nfs/dbraw/zinc/51/92/78/428519278.db2.gz GIXFAAMXRQXSHF-KBMXLJTQSA-N 2 1 310.388 2.806 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1C[NH3+] ZINC000415132753 428532199 /nfs/dbraw/zinc/53/21/99/428532199.db2.gz ULEXTYOXKHGRCO-OLZOCXBDSA-N 2 1 302.397 2.633 20 0 DFADMP CC(C)c1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353401870 428521732 /nfs/dbraw/zinc/52/17/32/428521732.db2.gz ISLASARVDYCNGQ-KFWWJZLASA-N 2 1 306.454 2.588 20 0 DFADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000415103748 428522307 /nfs/dbraw/zinc/52/23/07/428522307.db2.gz DABIVFMCGKMCII-UONOGXRCSA-N 2 1 320.399 2.667 20 0 DFADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373206571 428523071 /nfs/dbraw/zinc/52/30/71/428523071.db2.gz NZCTULLHXOHXOO-ZSXDVEMLSA-N 2 1 324.509 2.527 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000353407700 428523627 /nfs/dbraw/zinc/52/36/27/428523627.db2.gz XPERSOOJNLWADN-JYJNAYRXSA-N 2 1 321.852 2.741 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000353407700 428523634 /nfs/dbraw/zinc/52/36/34/428523634.db2.gz XPERSOOJNLWADN-JYJNAYRXSA-N 2 1 321.852 2.741 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353402466 428524053 /nfs/dbraw/zinc/52/40/53/428524053.db2.gz JACXNCVHVAXUKE-UFYCRDLUSA-N 2 1 324.472 2.894 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415117012 428525620 /nfs/dbraw/zinc/52/56/20/428525620.db2.gz ZAQNJIJEXDZDMX-AWEZNQCLSA-N 2 1 302.340 2.563 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000415117012 428525624 /nfs/dbraw/zinc/52/56/24/428525624.db2.gz ZAQNJIJEXDZDMX-AWEZNQCLSA-N 2 1 302.340 2.563 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415115664 428525729 /nfs/dbraw/zinc/52/57/29/428525729.db2.gz YSHPVFQKWICYIK-HBMCJLEFSA-N 2 1 324.468 2.981 20 0 DFADMP CC(C)OC(=O)C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415116212 428527349 /nfs/dbraw/zinc/52/73/49/428527349.db2.gz ZILMFFBNLILLKD-DLBZAZTESA-N 2 1 304.434 2.801 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1C[NH3+] ZINC000415132753 428532201 /nfs/dbraw/zinc/53/22/01/428532201.db2.gz ULEXTYOXKHGRCO-OLZOCXBDSA-N 2 1 302.397 2.633 20 0 DFADMP Cc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1C ZINC000415125489 428529332 /nfs/dbraw/zinc/52/93/32/428529332.db2.gz FDUIBCBCXDHOSC-MSOLQXFVSA-N 2 1 300.446 2.504 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414954647 428472436 /nfs/dbraw/zinc/47/24/36/428472436.db2.gz SUWQSRCDAQEKDO-KBXCAEBGSA-N 2 1 311.429 2.987 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414957212 428473554 /nfs/dbraw/zinc/47/35/54/428473554.db2.gz VWTCWMZDWHLCDB-MFKMUULPSA-N 2 1 313.239 2.688 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347167500 428478276 /nfs/dbraw/zinc/47/82/76/428478276.db2.gz UYDJLYXPRZIENX-OAHLLOKOSA-N 2 1 323.506 2.774 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609174 428582389 /nfs/dbraw/zinc/58/23/89/428582389.db2.gz IOMKIECQUSUQSY-FUHWJXTLSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609174 428582391 /nfs/dbraw/zinc/58/23/91/428582391.db2.gz IOMKIECQUSUQSY-FUHWJXTLSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609174 428582395 /nfs/dbraw/zinc/58/23/95/428582395.db2.gz IOMKIECQUSUQSY-FUHWJXTLSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609174 428582397 /nfs/dbraw/zinc/58/23/97/428582397.db2.gz IOMKIECQUSUQSY-FUHWJXTLSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609174 428582399 /nfs/dbraw/zinc/58/23/99/428582399.db2.gz IOMKIECQUSUQSY-FUHWJXTLSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc[nH+]cc1Br ZINC000373462103 428582698 /nfs/dbraw/zinc/58/26/98/428582698.db2.gz QHHWMRMKTIBXLJ-KBPBESRZSA-N 2 1 310.239 2.907 20 0 DFADMP C[N@H+]1CCC[C@H]1[C@@H]1CCCN1c1cc[nH+]cc1Br ZINC000373462103 428582702 /nfs/dbraw/zinc/58/27/02/428582702.db2.gz QHHWMRMKTIBXLJ-KBPBESRZSA-N 2 1 310.239 2.907 20 0 DFADMP C[C@@H](CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415130044 428532210 /nfs/dbraw/zinc/53/22/10/428532210.db2.gz PZRRTHVLLRWQQT-MAUKXSAKSA-N 2 1 313.449 2.568 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC(C)C ZINC000415134765 428534485 /nfs/dbraw/zinc/53/44/85/428534485.db2.gz WDGVBSLFAXYQRA-GOEBONIOSA-N 2 1 306.450 2.899 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1OC(C)C ZINC000415134765 428534489 /nfs/dbraw/zinc/53/44/89/428534489.db2.gz WDGVBSLFAXYQRA-GOEBONIOSA-N 2 1 306.450 2.899 20 0 DFADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000415138527 428535877 /nfs/dbraw/zinc/53/58/77/428535877.db2.gz VQSHCYIPNDMFPD-UHFFFAOYSA-N 2 1 308.319 2.808 20 0 DFADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000415138527 428535878 /nfs/dbraw/zinc/53/58/78/428535878.db2.gz VQSHCYIPNDMFPD-UHFFFAOYSA-N 2 1 308.319 2.808 20 0 DFADMP CC(C)[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399696511 428541300 /nfs/dbraw/zinc/54/13/00/428541300.db2.gz ZOWSUWDUBDUISO-BQFCYCMXSA-N 2 1 319.493 2.633 20 0 DFADMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400811613 428547688 /nfs/dbraw/zinc/54/76/88/428547688.db2.gz YNKPJQDKDIJFAV-WDSOQIARSA-N 2 1 301.478 2.771 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000357597066 428550071 /nfs/dbraw/zinc/55/00/71/428550071.db2.gz GCIWRLIZTFKUMR-OIISXLGYSA-N 2 1 304.482 2.641 20 0 DFADMP CC(C)[N@@H+]1C[C@H](C)[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361365036 428559103 /nfs/dbraw/zinc/55/91/03/428559103.db2.gz HPRHTTYTNSWNDR-DZGCQCFKSA-N 2 1 321.431 2.722 20 0 DFADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361365036 428559109 /nfs/dbraw/zinc/55/91/09/428559109.db2.gz HPRHTTYTNSWNDR-DZGCQCFKSA-N 2 1 321.431 2.722 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000353489939 428561837 /nfs/dbraw/zinc/56/18/37/428561837.db2.gz QKDBLTHIQFIBQZ-ATZDWAIDSA-N 2 1 302.462 2.505 20 0 DFADMP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404262215 428565026 /nfs/dbraw/zinc/56/50/26/428565026.db2.gz DWURSHHAHWKBBP-RHSMWYFYSA-N 2 1 303.450 2.637 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000404262215 428565035 /nfs/dbraw/zinc/56/50/35/428565035.db2.gz DWURSHHAHWKBBP-RHSMWYFYSA-N 2 1 303.450 2.637 20 0 DFADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C[C@H]1CC[NH2+]C1 ZINC000404334440 428565469 /nfs/dbraw/zinc/56/54/69/428565469.db2.gz BNYYXCOVGQISFU-ZMMAXQRCSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC000404326092 428565710 /nfs/dbraw/zinc/56/57/10/428565710.db2.gz VHVBCTWYEUJTLL-LUKYLMHMSA-N 2 1 317.477 2.624 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1C ZINC000404403959 428569648 /nfs/dbraw/zinc/56/96/48/428569648.db2.gz TUPWRBRAXORZHA-PBHICJAKSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1C ZINC000404403959 428569654 /nfs/dbraw/zinc/56/96/54/428569654.db2.gz TUPWRBRAXORZHA-PBHICJAKSA-N 2 1 303.450 2.691 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000358009121 428575592 /nfs/dbraw/zinc/57/55/92/428575592.db2.gz BPPMQLIUWKRFJI-VQIMIIECSA-N 2 1 315.505 2.753 20 0 DFADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CCC2 ZINC000353522079 428576601 /nfs/dbraw/zinc/57/66/01/428576601.db2.gz UAWHLLGVVQKFTC-NXOAAHMSSA-N 2 1 302.466 2.531 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000347436925 428577282 /nfs/dbraw/zinc/57/72/82/428577282.db2.gz KNQXOJPCJVLYGI-PMACEKPBSA-N 2 1 316.489 2.644 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000347436925 428577286 /nfs/dbraw/zinc/57/72/86/428577286.db2.gz KNQXOJPCJVLYGI-PMACEKPBSA-N 2 1 316.489 2.644 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000347436925 428577294 /nfs/dbraw/zinc/57/72/94/428577294.db2.gz KNQXOJPCJVLYGI-PMACEKPBSA-N 2 1 316.489 2.644 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000358361344 428596538 /nfs/dbraw/zinc/59/65/38/428596538.db2.gz BNBSFYICXSHDNX-VHDGCEQUSA-N 2 1 322.415 2.932 20 0 DFADMP COCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353639744 428634273 /nfs/dbraw/zinc/63/42/73/428634273.db2.gz FCVZUCXAAINTSA-QXAKKESOSA-N 2 1 320.477 2.681 20 0 DFADMP COCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353639744 428634278 /nfs/dbraw/zinc/63/42/78/428634278.db2.gz FCVZUCXAAINTSA-QXAKKESOSA-N 2 1 320.477 2.681 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)[C@@H](C)C1 ZINC000353608193 428620067 /nfs/dbraw/zinc/62/00/67/428620067.db2.gz HTUINUCRAFIOLQ-JLJPHGGASA-N 2 1 308.491 2.856 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000415908491 428621485 /nfs/dbraw/zinc/62/14/85/428621485.db2.gz PQXDELFCXQDRMX-PBHICJAKSA-N 2 1 318.465 2.646 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000415907124 428622910 /nfs/dbraw/zinc/62/29/10/428622910.db2.gz MODOEPYQSURERY-RHSMWYFYSA-N 2 1 318.465 2.743 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000415910058 428624938 /nfs/dbraw/zinc/62/49/38/428624938.db2.gz HAZNWKLNJNGGMA-MRXNPFEDSA-N 2 1 318.465 2.744 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000415945928 428633241 /nfs/dbraw/zinc/63/32/41/428633241.db2.gz SCNYCLZOWNHLKA-HNNXBMFYSA-N 2 1 318.465 2.792 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000415945929 428633463 /nfs/dbraw/zinc/63/34/63/428633463.db2.gz SCNYCLZOWNHLKA-OAHLLOKOSA-N 2 1 318.465 2.792 20 0 DFADMP COCC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@H]1C ZINC000301679031 274029998 /nfs/dbraw/zinc/02/99/98/274029998.db2.gz RFXLTKJOHMKCLQ-CQSZACIVSA-N 2 1 317.408 2.839 20 0 DFADMP Cc1ccc(CCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000353654395 428640963 /nfs/dbraw/zinc/64/09/63/428640963.db2.gz VCLHFUFDDUKJST-LJQANCHMSA-N 2 1 301.478 2.986 20 0 DFADMP Cc1ccc(CCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000353654395 428640967 /nfs/dbraw/zinc/64/09/67/428640967.db2.gz VCLHFUFDDUKJST-LJQANCHMSA-N 2 1 301.478 2.986 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000353654395 428640970 /nfs/dbraw/zinc/64/09/70/428640970.db2.gz VCLHFUFDDUKJST-LJQANCHMSA-N 2 1 301.478 2.986 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000415985685 428642879 /nfs/dbraw/zinc/64/28/79/428642879.db2.gz TYISGGLRWTYZOR-INIZCTEOSA-N 2 1 318.465 2.505 20 0 DFADMP COc1ccc2c(c1)CC[N@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000374387753 274123258 /nfs/dbraw/zinc/12/32/58/274123258.db2.gz QTDWBTQRBDDRJS-SFHVURJKSA-N 2 1 302.462 2.970 20 0 DFADMP COc1ccc2c(c1)CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000374387753 274123259 /nfs/dbraw/zinc/12/32/59/274123259.db2.gz QTDWBTQRBDDRJS-SFHVURJKSA-N 2 1 302.462 2.970 20 0 DFADMP COc1ccc2c(c1)CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000374387753 274123260 /nfs/dbraw/zinc/12/32/60/274123260.db2.gz QTDWBTQRBDDRJS-SFHVURJKSA-N 2 1 302.462 2.970 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000362199804 428658000 /nfs/dbraw/zinc/65/80/00/428658000.db2.gz KWOJHJIXLFAVNZ-QLFBSQMISA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000362199804 428658003 /nfs/dbraw/zinc/65/80/03/428658003.db2.gz KWOJHJIXLFAVNZ-QLFBSQMISA-N 2 1 307.869 2.991 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@H]2CCC[NH2+][C@H]2C1 ZINC000353673977 428652903 /nfs/dbraw/zinc/65/29/03/428652903.db2.gz QMMCEJWYGXXZIL-MOPGFXCFSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NC(C)C)CC1)CC(C)C ZINC000358743270 428653470 /nfs/dbraw/zinc/65/34/70/428653470.db2.gz GPCGMUGHOOSYKD-UHFFFAOYSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1C[NH3+] ZINC000070178319 274290280 /nfs/dbraw/zinc/29/02/80/274290280.db2.gz KAXUKGRMDGVWLR-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1C[NH3+] ZINC000070178319 274290281 /nfs/dbraw/zinc/29/02/81/274290281.db2.gz KAXUKGRMDGVWLR-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000358757566 428660943 /nfs/dbraw/zinc/66/09/43/428660943.db2.gz XDMDGBAEISAPFO-DNVCBOLYSA-N 2 1 321.428 2.997 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152527803 274339163 /nfs/dbraw/zinc/33/91/63/274339163.db2.gz AOGDSUXIGWAICU-DFEOGRTESA-N 2 1 301.478 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccsc1 ZINC000362803186 274352619 /nfs/dbraw/zinc/35/26/19/274352619.db2.gz SPBPUHFQCQHVNH-OIISXLGYSA-N 2 1 308.491 2.770 20 0 DFADMP CC[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000344540914 428674623 /nfs/dbraw/zinc/67/46/23/428674623.db2.gz KQVCYRNFSMUCAH-IRXDYDNUSA-N 2 1 311.514 2.878 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374553291 428697407 /nfs/dbraw/zinc/69/74/07/428697407.db2.gz YAHFWTDWCVLWEV-IBGZPJMESA-N 2 1 304.478 2.744 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000374553291 428697412 /nfs/dbraw/zinc/69/74/12/428697412.db2.gz YAHFWTDWCVLWEV-IBGZPJMESA-N 2 1 304.478 2.744 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000353755397 428698618 /nfs/dbraw/zinc/69/86/18/428698618.db2.gz ROZQTHMWRAUNCK-WFASDCNBSA-N 2 1 301.438 2.571 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000353755397 428698622 /nfs/dbraw/zinc/69/86/22/428698622.db2.gz ROZQTHMWRAUNCK-WFASDCNBSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000353755397 428698627 /nfs/dbraw/zinc/69/86/27/428698627.db2.gz ROZQTHMWRAUNCK-WFASDCNBSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000353755397 428698631 /nfs/dbraw/zinc/69/86/31/428698631.db2.gz ROZQTHMWRAUNCK-WFASDCNBSA-N 2 1 301.438 2.571 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000348310516 428702843 /nfs/dbraw/zinc/70/28/43/428702843.db2.gz CFHVHNVWGKWJAL-FSPWUOQZSA-N 2 1 305.441 2.501 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000348310516 428702845 /nfs/dbraw/zinc/70/28/45/428702845.db2.gz CFHVHNVWGKWJAL-FSPWUOQZSA-N 2 1 305.441 2.501 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)[C@H]2CCC[C@H]21 ZINC000353806045 428726871 /nfs/dbraw/zinc/72/68/71/428726871.db2.gz PFYZJBQVVJLGED-FOUBCARRSA-N 2 1 320.502 2.528 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348262031 428682553 /nfs/dbraw/zinc/68/25/53/428682553.db2.gz HZDZAOSDNFLQQH-VQTJNVASSA-N 2 1 315.505 2.797 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000344642898 428689508 /nfs/dbraw/zinc/68/95/08/428689508.db2.gz LUSNMQJJIYHBPQ-HZPDHXFCSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000344642898 428689513 /nfs/dbraw/zinc/68/95/13/428689513.db2.gz LUSNMQJJIYHBPQ-HZPDHXFCSA-N 2 1 320.481 2.776 20 0 DFADMP C[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411185930 428753745 /nfs/dbraw/zinc/75/37/45/428753745.db2.gz OLBBKNCWSYEFGF-HPFXQQBRSA-N 2 1 317.477 2.667 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411175587 428754822 /nfs/dbraw/zinc/75/48/22/428754822.db2.gz DKIJYJOIHGPELL-GOSISDBHSA-N 2 1 316.445 2.667 20 0 DFADMP CSC1(C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2ccnn2C)CC1 ZINC000348489871 428758218 /nfs/dbraw/zinc/75/82/18/428758218.db2.gz HFLRKUHGBMXYSH-GOEBONIOSA-N 2 1 322.522 2.630 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)n1 ZINC000358987091 428761733 /nfs/dbraw/zinc/76/17/33/428761733.db2.gz WESYPMYCKYLDTH-GFCCVEGCSA-N 2 1 302.422 2.638 20 0 DFADMP C[C@@H](CC[NH+]1CCCO[C@H](C)C1)CC[N@H+]1CCCO[C@@H](C)C1 ZINC000411219671 428761997 /nfs/dbraw/zinc/76/19/97/428761997.db2.gz QPGHWHWRLGWVSA-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](CC[NH+]1CCCO[C@@H](C)C1)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000411219671 428762000 /nfs/dbraw/zinc/76/20/00/428762000.db2.gz QPGHWHWRLGWVSA-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](CC[NH+]1CCCO[C@@H](C)C1)CC[N@H+]1CCCO[C@H](C)C1 ZINC000411219671 428762005 /nfs/dbraw/zinc/76/20/05/428762005.db2.gz QPGHWHWRLGWVSA-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)c(F)c2)C[C@@H]1C ZINC000362481481 428762831 /nfs/dbraw/zinc/76/28/31/428762831.db2.gz XDRBIKNWGSHPGV-DZGCQCFKSA-N 2 1 322.424 2.917 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000374873483 428769465 /nfs/dbraw/zinc/76/94/65/428769465.db2.gz HNRKHAOIKQQHCH-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000374873483 428769469 /nfs/dbraw/zinc/76/94/69/428769469.db2.gz HNRKHAOIKQQHCH-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP CC[C@@H]1COCC[NH+]1CCC(C)CC[N@@H+]1CCOC[C@H]1CC ZINC000411277181 428770241 /nfs/dbraw/zinc/77/02/41/428770241.db2.gz VQRMBMFNEANQMG-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@@H](C(=O)NCC[NH+](CC)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000353907613 428772502 /nfs/dbraw/zinc/77/25/02/428772502.db2.gz RQEQFJMJLTUCJN-SFHVURJKSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H](C(=O)NCC[N@H+](CC)C(C)C)[NH+](C)Cc1ccccc1 ZINC000353907613 428772507 /nfs/dbraw/zinc/77/25/07/428772507.db2.gz RQEQFJMJLTUCJN-SFHVURJKSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H](C(=O)NCC[N@@H+](CC)C(C)C)[NH+](C)Cc1ccccc1 ZINC000353907613 428772509 /nfs/dbraw/zinc/77/25/09/428772509.db2.gz RQEQFJMJLTUCJN-SFHVURJKSA-N 2 1 319.493 2.744 20 0 DFADMP Cc1nc(CO[C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC000374882033 428774696 /nfs/dbraw/zinc/77/46/96/428774696.db2.gz VIQPPOFRBMSJAR-CVEARBPZSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)cs1 ZINC000374882033 428774701 /nfs/dbraw/zinc/77/47/01/428774701.db2.gz VIQPPOFRBMSJAR-CVEARBPZSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)cs1 ZINC000374882033 428774706 /nfs/dbraw/zinc/77/47/06/428774706.db2.gz VIQPPOFRBMSJAR-CVEARBPZSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)cs1 ZINC000374882033 428774714 /nfs/dbraw/zinc/77/47/14/428774714.db2.gz VIQPPOFRBMSJAR-CVEARBPZSA-N 2 1 309.479 2.527 20 0 DFADMP CCN(CC)c1ncc(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)s1 ZINC000374899009 428780553 /nfs/dbraw/zinc/78/05/53/428780553.db2.gz PAMONAJZWQMOSZ-DZGCQCFKSA-N 2 1 308.495 2.515 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccnn1-c1ccccc1 ZINC000376133129 274515722 /nfs/dbraw/zinc/51/57/22/274515722.db2.gz MRSOHBPKKVUWCP-JKSUJKDBSA-N 2 1 321.428 2.982 20 0 DFADMP CN(CC[N@@H+](C)[C@H]1C[C@H]1c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000411407314 428789889 /nfs/dbraw/zinc/78/98/89/428789889.db2.gz IPNTUYGNGOTQKC-OALUTQOASA-N 2 1 319.468 2.639 20 0 DFADMP C[N@@H+](C[C@H]1CCCCO1)C1CCN(CCc2ccncc2)CC1 ZINC000374754384 428746473 /nfs/dbraw/zinc/74/64/73/428746473.db2.gz NUAIZZOCEXPXCS-LJQANCHMSA-N 2 1 317.477 2.589 20 0 DFADMP C[N@H+](C[C@H]1CCCCO1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374754384 428746478 /nfs/dbraw/zinc/74/64/78/428746478.db2.gz NUAIZZOCEXPXCS-LJQANCHMSA-N 2 1 317.477 2.589 20 0 DFADMP C[N@@H+](C[C@H]1CCCCO1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374754384 428746483 /nfs/dbraw/zinc/74/64/83/428746483.db2.gz NUAIZZOCEXPXCS-LJQANCHMSA-N 2 1 317.477 2.589 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000354078476 428851271 /nfs/dbraw/zinc/85/12/71/428851271.db2.gz SFPNAMJXGXCPBX-QGZVFWFLSA-N 2 1 322.497 2.571 20 0 DFADMP C[C@H](C[S@](C)=O)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411510917 428807368 /nfs/dbraw/zinc/80/73/68/428807368.db2.gz HLWLTVDTEDQSHR-ZHRRBRCNSA-N 2 1 322.518 2.871 20 0 DFADMP C[C@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411510917 428807372 /nfs/dbraw/zinc/80/73/72/428807372.db2.gz HLWLTVDTEDQSHR-ZHRRBRCNSA-N 2 1 322.518 2.871 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514736 428808628 /nfs/dbraw/zinc/80/86/28/428808628.db2.gz GPWFGIJFVMRWHU-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514736 428808632 /nfs/dbraw/zinc/80/86/32/428808632.db2.gz GPWFGIJFVMRWHU-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cc2[nH]c(C[NH2+]CCC[NH+]3CCC(O)CC3)cc2c(C)c1 ZINC000359087135 428809471 /nfs/dbraw/zinc/80/94/71/428809471.db2.gz WJESTPSGAPVHLB-UHFFFAOYSA-N 2 1 315.461 2.721 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000345251383 428816136 /nfs/dbraw/zinc/81/61/36/428816136.db2.gz QCGMRXPXLHLTJQ-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345251383 428816142 /nfs/dbraw/zinc/81/61/42/428816142.db2.gz QCGMRXPXLHLTJQ-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345251383 428816150 /nfs/dbraw/zinc/81/61/50/428816150.db2.gz QCGMRXPXLHLTJQ-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1O ZINC000411562754 428816318 /nfs/dbraw/zinc/81/63/18/428816318.db2.gz BYISKQJHJBYHEL-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000411546427 428816856 /nfs/dbraw/zinc/81/68/56/428816856.db2.gz ZVCQCKPCZPMIHY-IGOJGBNBSA-N 2 1 324.472 2.910 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC000345263252 428821169 /nfs/dbraw/zinc/82/11/69/428821169.db2.gz NIZIWIYLAKAMEQ-CVEARBPZSA-N 2 1 320.481 2.729 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](C2CC2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000359113295 428823082 /nfs/dbraw/zinc/82/30/82/428823082.db2.gz IKIIHHXBDIHNCR-NSISKUIASA-N 2 1 315.505 2.969 20 0 DFADMP COCCC[N@@H+](CCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411613000 428824636 /nfs/dbraw/zinc/82/46/36/428824636.db2.gz PCMQGVXKDNUHNN-UHFFFAOYSA-N 2 1 320.477 2.503 20 0 DFADMP c1ncc(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411658726 428835008 /nfs/dbraw/zinc/83/50/08/428835008.db2.gz MZFCCETUNOYTMN-CALCHBBNSA-N 2 1 313.470 2.749 20 0 DFADMP c1ncc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411658726 428835010 /nfs/dbraw/zinc/83/50/10/428835010.db2.gz MZFCCETUNOYTMN-CALCHBBNSA-N 2 1 313.470 2.749 20 0 DFADMP c1ncc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)s1 ZINC000411658726 428835016 /nfs/dbraw/zinc/83/50/16/428835016.db2.gz MZFCCETUNOYTMN-CALCHBBNSA-N 2 1 313.470 2.749 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1F ZINC000354039576 428835232 /nfs/dbraw/zinc/83/52/32/428835232.db2.gz NIRZSUSXBDPEFZ-LPHOPBHVSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1F ZINC000354039576 428835234 /nfs/dbraw/zinc/83/52/34/428835234.db2.gz NIRZSUSXBDPEFZ-LPHOPBHVSA-N 2 1 319.468 2.592 20 0 DFADMP CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CCC2CC[NH2+]CC2)n1 ZINC000359184949 428857998 /nfs/dbraw/zinc/85/79/98/428857998.db2.gz DTWODBZAXRHJGW-AWEZNQCLSA-N 2 1 324.469 2.625 20 0 DFADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CCC2CC[NH2+]CC2)n1 ZINC000359184949 428858002 /nfs/dbraw/zinc/85/80/02/428858002.db2.gz DTWODBZAXRHJGW-AWEZNQCLSA-N 2 1 324.469 2.625 20 0 DFADMP C[N@H+]1CC[C@@H]2CN(Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC000411787676 428858344 /nfs/dbraw/zinc/85/83/44/428858344.db2.gz LGHWZUZNJDGRER-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CN1CC[C@@H]2C[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC000411787676 428858350 /nfs/dbraw/zinc/85/83/50/428858350.db2.gz LGHWZUZNJDGRER-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CN1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]21 ZINC000411787676 428858354 /nfs/dbraw/zinc/85/83/54/428858354.db2.gz LGHWZUZNJDGRER-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CCc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000375345074 428858637 /nfs/dbraw/zinc/85/86/37/428858637.db2.gz KVFCSBYMBLBCTF-GBESFXJTSA-N 2 1 302.462 2.933 20 0 DFADMP C[NH+](C)CC1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCC1 ZINC000354091147 428859249 /nfs/dbraw/zinc/85/92/49/428859249.db2.gz IHMZMBVSYFZGEY-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@@H+](Cc1cc(-n2ccnc2)cs1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000348878003 428866685 /nfs/dbraw/zinc/86/66/85/428866685.db2.gz QCNKZKXISYNZCI-YIONKMFJSA-N 2 1 316.474 2.991 20 0 DFADMP C[NH+](Cc1cc(-n2ccnc2)cs1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000348878003 428866689 /nfs/dbraw/zinc/86/66/89/428866689.db2.gz QCNKZKXISYNZCI-YIONKMFJSA-N 2 1 316.474 2.991 20 0 DFADMP C[NH+](Cc1cc(-n2ccnc2)cs1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000348878003 428866694 /nfs/dbraw/zinc/86/66/94/428866694.db2.gz QCNKZKXISYNZCI-YIONKMFJSA-N 2 1 316.474 2.991 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000354105861 428866589 /nfs/dbraw/zinc/86/65/89/428866589.db2.gz FMTUGGXYUUHBPN-INIZCTEOSA-N 2 1 322.497 2.640 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000359212177 428867228 /nfs/dbraw/zinc/86/72/28/428867228.db2.gz GBIBQGIRHIZIIS-HXUWFJFHSA-N 2 1 315.505 2.973 20 0 DFADMP COc1cc(C)c(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)n1 ZINC000348877578 428867452 /nfs/dbraw/zinc/86/74/52/428867452.db2.gz PCGRMJJXKBMWNI-XYPWUTKMSA-N 2 1 303.450 2.764 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c(C)n1 ZINC000348877578 428867458 /nfs/dbraw/zinc/86/74/58/428867458.db2.gz PCGRMJJXKBMWNI-XYPWUTKMSA-N 2 1 303.450 2.764 20 0 DFADMP COc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(C)n1 ZINC000348877578 428867464 /nfs/dbraw/zinc/86/74/64/428867464.db2.gz PCGRMJJXKBMWNI-XYPWUTKMSA-N 2 1 303.450 2.764 20 0 DFADMP COc1cc(C)c(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000348877578 428867467 /nfs/dbraw/zinc/86/74/67/428867467.db2.gz PCGRMJJXKBMWNI-XYPWUTKMSA-N 2 1 303.450 2.764 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](COC(F)F)C1 ZINC000348876137 428867575 /nfs/dbraw/zinc/86/75/75/428867575.db2.gz LUIOKTHMMTVLJP-CYBMUJFWSA-N 2 1 322.359 2.637 20 0 DFADMP c1cn(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000363152589 428868213 /nfs/dbraw/zinc/86/82/13/428868213.db2.gz YSWASGPONQGYLK-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP c1cn(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000363152589 428868217 /nfs/dbraw/zinc/86/82/17/428868217.db2.gz YSWASGPONQGYLK-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP c1cn(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000363152589 428868222 /nfs/dbraw/zinc/86/82/22/428868222.db2.gz YSWASGPONQGYLK-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000417893147 428871113 /nfs/dbraw/zinc/87/11/13/428871113.db2.gz DVZLZNCQJVWEIS-ZWKOTPCHSA-N 2 1 302.462 2.708 20 0 DFADMP CN(C(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000411862267 428871902 /nfs/dbraw/zinc/87/19/02/428871902.db2.gz FVSIXPJJDHZILL-UHFFFAOYSA-N 2 1 303.450 2.504 20 0 DFADMP c1ccc(CC[N@H+](CCC2CC[NH2+]CC2)[C@H]2CCOC2)cc1 ZINC000359223737 428874903 /nfs/dbraw/zinc/87/49/03/428874903.db2.gz ZQNATSUVFFEMKM-IBGZPJMESA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877937 428875118 /nfs/dbraw/zinc/87/51/18/428875118.db2.gz QXEUBRNLTQXFCW-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@@H]1C[C@@H](O)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877939 428876380 /nfs/dbraw/zinc/87/63/80/428876380.db2.gz QXEUBRNLTQXFCW-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP Cc1ccc(-c2n[nH]cc2CN2CC[C@@]3(C2)CCC[N@H+](C)C3)o1 ZINC000354165814 428894775 /nfs/dbraw/zinc/89/47/75/428894775.db2.gz IHCKIHWKSXFGLS-SFHVURJKSA-N 2 1 314.433 2.896 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000375487533 428896537 /nfs/dbraw/zinc/89/65/37/428896537.db2.gz QVPSVNZOGWDEJQ-KURKYZTESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000375487533 428896540 /nfs/dbraw/zinc/89/65/40/428896540.db2.gz QVPSVNZOGWDEJQ-KURKYZTESA-N 2 1 305.466 2.987 20 0 DFADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000375509033 428902369 /nfs/dbraw/zinc/90/23/69/428902369.db2.gz VGIUVUBALIDQKH-UHFFFAOYSA-N 2 1 304.434 2.764 20 0 DFADMP CN(CC[N@@H+](C)Cc1coc2ccccc12)C1CC[NH+](C)CC1 ZINC000349083724 428917030 /nfs/dbraw/zinc/91/70/30/428917030.db2.gz ZFMUNMUHXHMZFL-UHFFFAOYSA-N 2 1 315.461 2.891 20 0 DFADMP COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000363460019 428918903 /nfs/dbraw/zinc/91/89/03/428918903.db2.gz VQJVBYHHHSGEKF-WDSOQIARSA-N 2 1 318.461 2.677 20 0 DFADMP COc1ccc([C@H](O)[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000363460019 428918907 /nfs/dbraw/zinc/91/89/07/428918907.db2.gz VQJVBYHHHSGEKF-WDSOQIARSA-N 2 1 318.461 2.677 20 0 DFADMP COc1ccc([C@H](O)[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000363460019 428918911 /nfs/dbraw/zinc/91/89/11/428918911.db2.gz VQJVBYHHHSGEKF-WDSOQIARSA-N 2 1 318.461 2.677 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H](O)CCC(C)C)C2)c1 ZINC000375638897 428930969 /nfs/dbraw/zinc/93/09/69/428930969.db2.gz KRDJBNVJPOGOHG-IAGOWNOFSA-N 2 1 305.466 2.921 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H](O)CCC(C)C)C2)c1 ZINC000375638897 428930974 /nfs/dbraw/zinc/93/09/74/428930974.db2.gz KRDJBNVJPOGOHG-IAGOWNOFSA-N 2 1 305.466 2.921 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000363521080 428935379 /nfs/dbraw/zinc/93/53/79/428935379.db2.gz AHVWNDPNYZYWIL-RDBSUJKOSA-N 2 1 308.388 2.808 20 0 DFADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3(C)CCC3)CC2)C[C@H](C)O1 ZINC000349364407 428971708 /nfs/dbraw/zinc/97/17/08/428971708.db2.gz GKUBBFPLVWXYOX-CALCHBBNSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3(C)CCC3)CC2)C[C@H](C)O1 ZINC000349364407 428971711 /nfs/dbraw/zinc/97/17/11/428971711.db2.gz GKUBBFPLVWXYOX-CALCHBBNSA-N 2 1 324.509 2.767 20 0 DFADMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)Cc2ccco2)c1 ZINC000349293928 428957095 /nfs/dbraw/zinc/95/70/95/428957095.db2.gz HAAVKNMQGTWXQA-UHFFFAOYSA-N 2 1 303.406 2.555 20 0 DFADMP CC(C)CCC[C@@H](C)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375742728 428959160 /nfs/dbraw/zinc/95/91/60/428959160.db2.gz IQYMJMDJNYQZRK-HRBLRVMOSA-N 2 1 323.525 2.874 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000375751142 428960478 /nfs/dbraw/zinc/96/04/78/428960478.db2.gz QHVCWPLQWNTOMP-BBRMVZONSA-N 2 1 304.463 2.573 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000375751142 428960484 /nfs/dbraw/zinc/96/04/84/428960484.db2.gz QHVCWPLQWNTOMP-BBRMVZONSA-N 2 1 304.463 2.573 20 0 DFADMP c1cc(-c2ccc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755796 428962601 /nfs/dbraw/zinc/96/26/01/428962601.db2.gz GADNDIGNTUHKBH-UKPHBRMFSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755796 428962602 /nfs/dbraw/zinc/96/26/02/428962602.db2.gz GADNDIGNTUHKBH-UKPHBRMFSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755796 428962605 /nfs/dbraw/zinc/96/26/05/428962605.db2.gz GADNDIGNTUHKBH-UKPHBRMFSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755796 428962608 /nfs/dbraw/zinc/96/26/08/428962608.db2.gz GADNDIGNTUHKBH-UKPHBRMFSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)o2)n[nH]1 ZINC000375755796 428962610 /nfs/dbraw/zinc/96/26/10/428962610.db2.gz GADNDIGNTUHKBH-UKPHBRMFSA-N 2 1 312.417 2.586 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767881 428965324 /nfs/dbraw/zinc/96/53/24/428965324.db2.gz KGFDCCRHBYXEJK-DLBZAZTESA-N 2 1 323.481 2.558 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767881 428965327 /nfs/dbraw/zinc/96/53/27/428965327.db2.gz KGFDCCRHBYXEJK-DLBZAZTESA-N 2 1 323.481 2.558 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767881 428965330 /nfs/dbraw/zinc/96/53/30/428965330.db2.gz KGFDCCRHBYXEJK-DLBZAZTESA-N 2 1 323.481 2.558 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767881 428965337 /nfs/dbraw/zinc/96/53/37/428965337.db2.gz KGFDCCRHBYXEJK-DLBZAZTESA-N 2 1 323.481 2.558 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767881 428965340 /nfs/dbraw/zinc/96/53/40/428965340.db2.gz KGFDCCRHBYXEJK-DLBZAZTESA-N 2 1 323.481 2.558 20 0 DFADMP CC(C)C[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000354327529 428969889 /nfs/dbraw/zinc/96/98/89/428969889.db2.gz HHFHRKJRURTXOA-OKZBNKHCSA-N 2 1 323.525 2.768 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCCC[NH2+]C2CC2)C3)cc1 ZINC000423550430 428970358 /nfs/dbraw/zinc/97/03/58/428970358.db2.gz ILGRTLZBFQXHCD-ACDBMABISA-N 2 1 313.489 2.914 20 0 DFADMP Cc1ccc2[nH]c(C[NH2+]C[C@@H](O)C[NH+]3CCCCC3)cc2c1C ZINC000349628261 429016649 /nfs/dbraw/zinc/01/66/49/429016649.db2.gz FXZGMPQKHKXCQM-QGZVFWFLSA-N 2 1 315.461 2.721 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000423792299 429020711 /nfs/dbraw/zinc/02/07/11/429020711.db2.gz DFLHPLMFESOYRS-IKGGRYGDSA-N 2 1 309.498 2.521 20 0 DFADMP C[NH+](C)[C@H]1CCCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000375945893 429023913 /nfs/dbraw/zinc/02/39/13/429023913.db2.gz HBVJGACMIQWACN-SFHVURJKSA-N 2 1 307.457 2.674 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000375973953 429029522 /nfs/dbraw/zinc/02/95/22/429029522.db2.gz IPUNLSHQFIWZFT-MRXNPFEDSA-N 2 1 308.385 2.691 20 0 DFADMP Cc1ncccc1O[C@@H]1CCN(Cc2cccc3nccn32)C1 ZINC000375973953 429029529 /nfs/dbraw/zinc/02/95/29/429029529.db2.gz IPUNLSHQFIWZFT-MRXNPFEDSA-N 2 1 308.385 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCOCC2)[C@@H](C)C1 ZINC000354331228 428973167 /nfs/dbraw/zinc/97/31/67/428973167.db2.gz CDQCPFAYHCQYSO-BQFCYCMXSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000375789844 428973777 /nfs/dbraw/zinc/97/37/77/428973777.db2.gz VBLQYCFNZFXPLF-APWZRJJASA-N 2 1 319.468 2.816 20 0 DFADMP CC(C)c1nccn1[C@@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000375811713 428981402 /nfs/dbraw/zinc/98/14/02/428981402.db2.gz INOGYRCDCQHVPO-MRXNPFEDSA-N 2 1 324.432 2.886 20 0 DFADMP CC[NH+]1CCC([N@H+](C[C@H](O)CCc2ccccc2)C2CC2)CC1 ZINC000363777172 428991452 /nfs/dbraw/zinc/99/14/52/428991452.db2.gz NQFCTFUBBMVNLC-HXUWFJFHSA-N 2 1 316.489 2.929 20 0 DFADMP CC[NH+]1CCC([N@@H+](C[C@H](O)CCc2ccccc2)C2CC2)CC1 ZINC000363777172 428991463 /nfs/dbraw/zinc/99/14/63/428991463.db2.gz NQFCTFUBBMVNLC-HXUWFJFHSA-N 2 1 316.489 2.929 20 0 DFADMP CC[C@H](C(=O)NC(C)(C)CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423681480 428995732 /nfs/dbraw/zinc/99/57/32/428995732.db2.gz NISBPKKWKRJCPP-MRXNPFEDSA-N 2 1 305.466 2.531 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354632307 429002071 /nfs/dbraw/zinc/00/20/71/429002071.db2.gz LYTHRPVNRUVCSL-KURKYZTESA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000423724608 429005010 /nfs/dbraw/zinc/00/50/10/429005010.db2.gz HBPZGBHROYGWHL-XMTFNYHQSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423726223 429005079 /nfs/dbraw/zinc/00/50/79/429005079.db2.gz JGXZJAPGRXDTOA-ATLSCFEFSA-N 2 1 315.461 2.550 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423726223 429005082 /nfs/dbraw/zinc/00/50/82/429005082.db2.gz JGXZJAPGRXDTOA-ATLSCFEFSA-N 2 1 315.461 2.550 20 0 DFADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000375892129 429008031 /nfs/dbraw/zinc/00/80/31/429008031.db2.gz XVIGEDBYFQCOAD-OTWHNJEPSA-N 3 1 307.526 2.961 20 0 DFADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)CC1 ZINC000375892129 429008035 /nfs/dbraw/zinc/00/80/35/429008035.db2.gz XVIGEDBYFQCOAD-OTWHNJEPSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000423766964 429012340 /nfs/dbraw/zinc/01/23/40/429012340.db2.gz VVDJYUDUGOXTRM-IRXDYDNUSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1ccc(CC[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375906333 429014184 /nfs/dbraw/zinc/01/41/84/429014184.db2.gz VGFYDZZEMSGSMB-HXUWFJFHSA-N 2 1 315.505 2.638 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)c1ccc([C@H](C)[NH3+])cc1)CC2 ZINC000423769966 429014307 /nfs/dbraw/zinc/01/43/07/429014307.db2.gz CWYYPBMFOLMMDD-QGTPRVQTSA-N 2 1 315.461 2.794 20 0 DFADMP Clc1ccc([C@@H](Cc2cccnc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423443238 429089899 /nfs/dbraw/zinc/08/98/99/429089899.db2.gz VOTJTMXUPCURCB-XDNAFOTISA-N 2 1 313.832 2.826 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423463641 429093144 /nfs/dbraw/zinc/09/31/44/429093144.db2.gz ASGDRGSQEPMVQD-ZFWWWQNUSA-N 2 1 320.387 2.768 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1F ZINC000423475990 429093978 /nfs/dbraw/zinc/09/39/78/429093978.db2.gz LAAYFQBMQFWLHS-JQWIXIFHSA-N 2 1 302.340 2.730 20 0 DFADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423479999 429095247 /nfs/dbraw/zinc/09/52/47/429095247.db2.gz VWKOKZNMOKMRSY-WAARBJQMSA-N 2 1 301.478 2.755 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)N[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000423481638 429096262 /nfs/dbraw/zinc/09/62/62/429096262.db2.gz QFJJBUGYOPYOBM-MLGOLLRUSA-N 2 1 320.387 2.829 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000355412321 429043220 /nfs/dbraw/zinc/04/32/20/429043220.db2.gz PHYOTXUDMNHJAE-VQHPVUNQSA-N 2 1 323.525 2.732 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000423280859 429055645 /nfs/dbraw/zinc/05/56/45/429055645.db2.gz SXVNPYFUYSJVOL-STQMWFEESA-N 2 1 313.214 2.902 20 0 DFADMP CC(C)[C@@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423279492 429056004 /nfs/dbraw/zinc/05/60/04/429056004.db2.gz SBDDLSZTWMPSIV-RDGPPVDQSA-N 2 1 301.478 2.755 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423280566 429056374 /nfs/dbraw/zinc/05/63/74/429056374.db2.gz URAOCLRTNZWOMY-FZMZJTMJSA-N 2 1 304.356 2.838 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](OCC)[C@H]1Oc1ccccc1 ZINC000423297031 429057280 /nfs/dbraw/zinc/05/72/80/429057280.db2.gz IKVXYWIBVUHQHO-DDBAPUKQSA-N 2 1 306.450 2.719 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000423303973 429059689 /nfs/dbraw/zinc/05/96/89/429059689.db2.gz XVQCFHJQFYRSRL-KBPBESRZSA-N 2 1 307.438 2.519 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423303451 429060849 /nfs/dbraw/zinc/06/08/49/429060849.db2.gz LODFVJHFLRMHNH-ZGXWSNOMSA-N 3 1 313.489 2.771 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423312521 429062955 /nfs/dbraw/zinc/06/29/55/429062955.db2.gz DGXROVQCWLCLEM-BLLLJJGKSA-N 2 1 304.438 2.604 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423322334 429063391 /nfs/dbraw/zinc/06/33/91/429063391.db2.gz IFRCMZYYERQIHR-QRVBRYPASA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423322334 429063395 /nfs/dbraw/zinc/06/33/95/429063395.db2.gz IFRCMZYYERQIHR-QRVBRYPASA-N 2 1 301.478 2.758 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)c1 ZINC000423325000 429064558 /nfs/dbraw/zinc/06/45/58/429064558.db2.gz LKDVFWGWRCWTBF-BEFAXECRSA-N 2 1 324.428 2.745 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423327013 429065411 /nfs/dbraw/zinc/06/54/11/429065411.db2.gz CPXBDYIVODHUHR-UGSOOPFHSA-N 2 1 319.449 2.694 20 0 DFADMP CC[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000423960709 429065479 /nfs/dbraw/zinc/06/54/79/429065479.db2.gz NMDHTLLMNQVWCO-QZTJIDSGSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1ccc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)cn1 ZINC000434025763 429067823 /nfs/dbraw/zinc/06/78/23/429067823.db2.gz PLYREYZPGKOZLZ-OALUTQOASA-N 2 1 310.445 2.910 20 0 DFADMP Cc1ccc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cn1 ZINC000434025763 429067826 /nfs/dbraw/zinc/06/78/26/429067826.db2.gz PLYREYZPGKOZLZ-OALUTQOASA-N 2 1 310.445 2.910 20 0 DFADMP Cc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cn1 ZINC000434025763 429067830 /nfs/dbraw/zinc/06/78/30/429067830.db2.gz PLYREYZPGKOZLZ-OALUTQOASA-N 2 1 310.445 2.910 20 0 DFADMP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337852 429068055 /nfs/dbraw/zinc/06/80/55/429068055.db2.gz UGPOWPZGJHSQOR-PKOBYXMFSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423337852 429068061 /nfs/dbraw/zinc/06/80/61/429068061.db2.gz UGPOWPZGJHSQOR-PKOBYXMFSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc(N2CCCC2)ncn1 ZINC000434099694 429071299 /nfs/dbraw/zinc/07/12/99/429071299.db2.gz KDOVKTGOBICCKX-GASCZTMLSA-N 2 1 303.454 2.752 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1cccc(N2CCCC2=O)c1 ZINC000423356043 429071566 /nfs/dbraw/zinc/07/15/66/429071566.db2.gz GKRBAQGPNDSHTC-GDBMZVCRSA-N 2 1 301.434 2.606 20 0 DFADMP Cc1cnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000376177460 429071858 /nfs/dbraw/zinc/07/18/58/429071858.db2.gz HZKNQNUEPHLVIZ-UHFFFAOYSA-N 2 1 300.406 2.726 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423359868 429072007 /nfs/dbraw/zinc/07/20/07/429072007.db2.gz PSZGYQVKIIVEBR-CABCVRRESA-N 2 1 303.450 2.557 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423365776 429075394 /nfs/dbraw/zinc/07/53/94/429075394.db2.gz PSGASNYWUBHJFV-RBSFLKMASA-N 2 1 303.450 2.557 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000423381653 429076229 /nfs/dbraw/zinc/07/62/29/429076229.db2.gz OKHMXFJRXXBUDC-IIAWOOMASA-N 2 1 301.434 2.605 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000423382250 429076532 /nfs/dbraw/zinc/07/65/32/429076532.db2.gz OTGUPKBTVWHJKK-PSBWJHGTSA-N 2 1 301.478 2.627 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)c1OC ZINC000423383250 429076699 /nfs/dbraw/zinc/07/66/99/429076699.db2.gz PKHLEQCGQKYFLZ-BJJXKVORSA-N 2 1 306.450 2.673 20 0 DFADMP C[NH2+][C@@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423381414 429076980 /nfs/dbraw/zinc/07/69/80/429076980.db2.gz FNROGZFVQPVKTA-UWVGGRQHSA-N 2 1 303.219 2.717 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000423380482 429077155 /nfs/dbraw/zinc/07/71/55/429077155.db2.gz MSOBDGYTCJTCAJ-KWCYVHTRSA-N 2 1 320.433 2.872 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423378028 429077545 /nfs/dbraw/zinc/07/75/45/429077545.db2.gz ZAMPRCOWFBFOSL-RLCCDNCMSA-N 2 1 323.278 2.894 20 0 DFADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423382921 429077932 /nfs/dbraw/zinc/07/79/32/429077932.db2.gz IYLIJLKZIHWAQG-DGCLKSJQSA-N 2 1 311.267 2.894 20 0 DFADMP C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423376359 429077951 /nfs/dbraw/zinc/07/79/51/429077951.db2.gz VGNDRAPNITXKKE-GJZGRUSLSA-N 2 1 324.428 2.911 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000423384024 429080320 /nfs/dbraw/zinc/08/03/20/429080320.db2.gz PXGKJQVEGNMKFN-HOSILWTGSA-N 2 1 306.450 2.926 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423398740 429082162 /nfs/dbraw/zinc/08/21/62/429082162.db2.gz VJZJOCVVAYUGNQ-UVBQOVKKSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1 ZINC000423424423 429085783 /nfs/dbraw/zinc/08/57/83/429085783.db2.gz FNYRDNXFIXHAOR-HNNXBMFYSA-N 2 1 315.461 2.797 20 0 DFADMP CCOc1ccc([C@H](CC)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000423439515 429088430 /nfs/dbraw/zinc/08/84/30/429088430.db2.gz SIEJNOJAWONHGF-JTOWHCCKSA-N 2 1 304.434 2.743 20 0 DFADMP C[C@@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[N@@H+](C)C1CC1 ZINC000424143227 429097706 /nfs/dbraw/zinc/09/77/06/429097706.db2.gz FNTNQDFFPMTFMQ-GOEBONIOSA-N 2 1 309.498 2.663 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424436317 429142745 /nfs/dbraw/zinc/14/27/45/429142745.db2.gz MEWYIXLRDBRURN-UHFFFAOYSA-N 2 1 315.421 2.513 20 0 DFADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424140707 429098463 /nfs/dbraw/zinc/09/84/63/429098463.db2.gz WOOCOIGAWYIBFM-QZTJIDSGSA-N 2 1 323.525 2.865 20 0 DFADMP Cc1cc(F)c(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(F)c1 ZINC000424146007 429098554 /nfs/dbraw/zinc/09/85/54/429098554.db2.gz OQLVDNFCCBGZPO-CQSZACIVSA-N 2 1 312.404 2.600 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423503272 429101280 /nfs/dbraw/zinc/10/12/80/429101280.db2.gz KIKMGCKFMKNSBU-KPFFTGBYSA-N 2 1 315.505 2.799 20 0 DFADMP CC[C@@H](c1ccc(C(=O)OC)cc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423505225 429101540 /nfs/dbraw/zinc/10/15/40/429101540.db2.gz GRXUVYZEPIZDFU-RPVQJOFSSA-N 2 1 304.434 2.841 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(-c2ccncc2)cc1 ZINC000423504931 429101609 /nfs/dbraw/zinc/10/16/09/429101609.db2.gz GFHPOEVYPOUVLT-BEFAXECRSA-N 2 1 311.429 2.778 20 0 DFADMP C[C@@H](c1ccc2c(c1)C(C)(C)C(=O)N2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512810 429102982 /nfs/dbraw/zinc/10/29/82/429102982.db2.gz QLUBLTWOWPLXMB-QHRIQVFBSA-N 2 1 315.461 2.894 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434687247 429103891 /nfs/dbraw/zinc/10/38/91/429103891.db2.gz COYOLYMNFBMOMH-UHFFFAOYSA-N 2 1 319.449 2.741 20 0 DFADMP COc1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1OC ZINC000423515351 429105179 /nfs/dbraw/zinc/10/51/79/429105179.db2.gz VGVNTWUPJYSMOR-RVZJWNSFSA-N 2 1 306.450 2.990 20 0 DFADMP CCO[C@@H]1C[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)[C@@H]1Oc1ccccc1 ZINC000423516422 429105332 /nfs/dbraw/zinc/10/53/32/429105332.db2.gz WVLCWBKHQCYFLT-LZBKUMLDSA-N 2 1 318.461 2.528 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1)C1CC1 ZINC000434704142 429107297 /nfs/dbraw/zinc/10/72/97/429107297.db2.gz XGPLKVGUPORYFQ-KDOFPFPSSA-N 2 1 315.461 2.541 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCC[NH2+]C2CC2)cc(OC)c1OC ZINC000423529314 429110627 /nfs/dbraw/zinc/11/06/27/429110627.db2.gz POWYOZMGFGVJSY-GFCCVEGCSA-N 2 1 308.422 2.505 20 0 DFADMP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423535018 429111557 /nfs/dbraw/zinc/11/15/57/429111557.db2.gz XASJBETYPUVRKK-CJNGLKHVSA-N 2 1 319.449 2.519 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000424275362 429117857 /nfs/dbraw/zinc/11/78/57/429117857.db2.gz AUOJYSTYIKPAGT-LESCRADOSA-N 2 1 307.457 2.673 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424277131 429118064 /nfs/dbraw/zinc/11/80/64/429118064.db2.gz BLZVVAKIUKDVAW-SJLPKXTDSA-N 2 1 319.468 2.532 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cn3cc(Cl)ccc3n1)CC[NH2+]CC2 ZINC000424286609 429119021 /nfs/dbraw/zinc/11/90/21/429119021.db2.gz HLHCHWZVPOOALB-CYBMUJFWSA-N 2 1 318.852 2.952 20 0 DFADMP CCN(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424283798 429119310 /nfs/dbraw/zinc/11/93/10/429119310.db2.gz CEJCPYPZXXHIQC-INIZCTEOSA-N 2 1 315.461 2.504 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cc3ccccc3[nH]c1=O)CC[NH2+]CC2 ZINC000424293009 429120891 /nfs/dbraw/zinc/12/08/91/429120891.db2.gz PFIVKFRCYDNNGZ-CQSZACIVSA-N 2 1 311.429 2.904 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1ccn(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424291408 429121894 /nfs/dbraw/zinc/12/18/94/429121894.db2.gz NUNMSSMHKPGMAH-MRXNPFEDSA-N 2 1 310.445 2.836 20 0 DFADMP COCCCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435686500 429157038 /nfs/dbraw/zinc/15/70/38/429157038.db2.gz VNSXUJXHHKNMDR-OAHLLOKOSA-N 2 1 323.506 2.904 20 0 DFADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424332845 429128400 /nfs/dbraw/zinc/12/84/00/429128400.db2.gz VPKNQXMLQXBMRJ-BZUAXINKSA-N 2 1 312.498 2.920 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1NC(C)=O ZINC000424370162 429131332 /nfs/dbraw/zinc/13/13/32/429131332.db2.gz DEWXROFFTQGICW-KCPJHIHWSA-N 2 1 305.422 2.574 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435368385 429132660 /nfs/dbraw/zinc/13/26/60/429132660.db2.gz HUIISVGAHGTMSF-INIZCTEOSA-N 2 1 311.429 2.831 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424386116 429133758 /nfs/dbraw/zinc/13/37/58/429133758.db2.gz WWYFORCXNCTMNR-INIZCTEOSA-N 2 1 318.461 2.676 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000424385254 429133793 /nfs/dbraw/zinc/13/37/93/429133793.db2.gz WETQJZNYKYIXBF-OAHLLOKOSA-N 2 1 302.466 2.502 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000376557939 429135212 /nfs/dbraw/zinc/13/52/12/429135212.db2.gz LSSDRMCMCQORSM-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376557939 429135221 /nfs/dbraw/zinc/13/52/21/429135221.db2.gz LSSDRMCMCQORSM-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC000376558573 429135654 /nfs/dbraw/zinc/13/56/54/429135654.db2.gz OZGCCRNNHALDFW-KBPBESRZSA-N 2 1 302.426 2.533 20 0 DFADMP CC[N@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)[C@@H]1CCC[NH2+]CC1 ZINC000435388932 429136396 /nfs/dbraw/zinc/13/63/96/429136396.db2.gz IECGZZWHFVTOCH-WMLDXEAASA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)[C@@H]1CCC[NH2+]CC1 ZINC000435388932 429136401 /nfs/dbraw/zinc/13/64/01/429136401.db2.gz IECGZZWHFVTOCH-WMLDXEAASA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@H+](Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435390395 429136467 /nfs/dbraw/zinc/13/64/67/429136467.db2.gz OYDJFDWIRNRCRK-OAHLLOKOSA-N 2 1 322.449 2.676 20 0 DFADMP CC[N@@H+](Cc1ccc(OC)c(OC)c1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435390395 429136470 /nfs/dbraw/zinc/13/64/70/429136470.db2.gz OYDJFDWIRNRCRK-OAHLLOKOSA-N 2 1 322.449 2.676 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN([C@@H](C)c2nncn2C)C1 ZINC000376558575 429136669 /nfs/dbraw/zinc/13/66/69/429136669.db2.gz OZGCCRNNHALDFW-UONOGXRCSA-N 2 1 302.426 2.533 20 0 DFADMP CC[N@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)[C@@H]1CCC[NH2+]CC1 ZINC000435388931 429136928 /nfs/dbraw/zinc/13/69/28/429136928.db2.gz IECGZZWHFVTOCH-RHSMWYFYSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)[C@@H]1CCC[NH2+]CC1 ZINC000435388931 429136935 /nfs/dbraw/zinc/13/69/35/429136935.db2.gz IECGZZWHFVTOCH-RHSMWYFYSA-N 2 1 318.461 2.983 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435395739 429139247 /nfs/dbraw/zinc/13/92/47/429139247.db2.gz RKWJPQBBDDSWDC-CYBMUJFWSA-N 2 1 324.350 2.672 20 0 DFADMP c1csc(C[N@H+](C[C@H]2CCCOC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435425280 429140210 /nfs/dbraw/zinc/14/02/10/429140210.db2.gz CEIYIUOJNGUPBS-HUUCEWRRSA-N 2 1 321.490 2.514 20 0 DFADMP CCC[C@H](C)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435431427 429141093 /nfs/dbraw/zinc/14/10/93/429141093.db2.gz IMBHZUHOFABPCM-HOTGVXAUSA-N 2 1 304.482 2.800 20 0 DFADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432393 429141847 /nfs/dbraw/zinc/14/18/47/429141847.db2.gz MYKHVPXKLQCWAM-WBVHZDCISA-N 3 1 319.518 2.692 20 0 DFADMP c1cc(CN(C[C@@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432393 429141853 /nfs/dbraw/zinc/14/18/53/429141853.db2.gz MYKHVPXKLQCWAM-WBVHZDCISA-N 2 1 319.518 2.692 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000424446939 429141975 /nfs/dbraw/zinc/14/19/75/429141975.db2.gz SZSHJASRFOCSFT-ZFWWWQNUSA-N 2 1 318.465 2.696 20 0 DFADMP COCCCCC[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1 ZINC000435723449 429160647 /nfs/dbraw/zinc/16/06/47/429160647.db2.gz SJXBUOGHPFIBPB-OAHLLOKOSA-N 2 1 311.495 2.680 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[C@H]3C)cc2)CC1 ZINC000494890038 429160895 /nfs/dbraw/zinc/16/08/95/429160895.db2.gz LWPLMJIOOLQLAZ-SQGPQFPESA-N 2 1 315.505 2.958 20 0 DFADMP O=C1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941897 275018315 /nfs/dbraw/zinc/01/83/15/275018315.db2.gz QCCFHYCHCXCFNN-LRDDRELGSA-N 2 1 317.408 2.673 20 0 DFADMP O=C1Nc2ccccc2CC[C@@H]1[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000277011003 275024898 /nfs/dbraw/zinc/02/48/98/275024898.db2.gz PRSUULVWHITYPR-INIZCTEOSA-N 2 1 310.401 2.543 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)[C@H]1C ZINC000494994651 429170338 /nfs/dbraw/zinc/17/03/38/429170338.db2.gz ILZXPFHFEPKWTQ-OHQAAIJDSA-N 2 1 302.462 2.777 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000435880317 429170519 /nfs/dbraw/zinc/17/05/19/429170519.db2.gz OGQCMXDIAZMYCD-UHFFFAOYSA-N 2 1 304.413 2.690 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245855586 275055282 /nfs/dbraw/zinc/05/52/82/275055282.db2.gz NLFRKBZUGZCLMC-NZSAHSFTSA-N 2 1 300.446 2.595 20 0 DFADMP Brc1ccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)nc1 ZINC000167673521 275369059 /nfs/dbraw/zinc/36/90/59/275369059.db2.gz XJDMSOPXRWTLQT-HNNXBMFYSA-N 2 1 324.266 2.808 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CC[C@@H](C)O3)CC2)nc(C)[nH+]1 ZINC000364488290 429212281 /nfs/dbraw/zinc/21/22/81/429212281.db2.gz AXZVNYYOSPULBV-PBHICJAKSA-N 2 1 318.465 2.562 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@@H]3CC[C@@H](C)O3)CC2)nc(C)[nH+]1 ZINC000364488290 429212284 /nfs/dbraw/zinc/21/22/84/429212284.db2.gz AXZVNYYOSPULBV-PBHICJAKSA-N 2 1 318.465 2.562 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@H]1C[NH+]1CCCCCC1 ZINC000364623351 429236067 /nfs/dbraw/zinc/23/60/67/429236067.db2.gz NDEPTKIVEYMYEA-SFHVURJKSA-N 2 1 304.482 2.922 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000442881349 429239628 /nfs/dbraw/zinc/23/96/28/429239628.db2.gz ZFVZOWRBLBOZOX-GOSISDBHSA-N 2 1 319.468 2.819 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000442929532 429240648 /nfs/dbraw/zinc/24/06/48/429240648.db2.gz RLWLRFNBDWSKQX-CYBMUJFWSA-N 2 1 302.397 2.777 20 0 DFADMP C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364675792 429248179 /nfs/dbraw/zinc/24/81/79/429248179.db2.gz UTTBRDBOKAGOKS-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364675792 429248183 /nfs/dbraw/zinc/24/81/83/429248183.db2.gz UTTBRDBOKAGOKS-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364675796 429248690 /nfs/dbraw/zinc/24/86/90/429248690.db2.gz UTTBRDBOKAGOKS-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccn(-c2ccccc2)n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364675796 429248693 /nfs/dbraw/zinc/24/86/93/429248693.db2.gz UTTBRDBOKAGOKS-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP CC1CC[NH+](CCN(C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000489951436 429269790 /nfs/dbraw/zinc/26/97/90/429269790.db2.gz DTRLXPHPNRSNCV-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000365202250 429277482 /nfs/dbraw/zinc/27/74/82/429277482.db2.gz LMXSELWCXQQKOC-DLBZAZTESA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1C[C@@H]2CCN(C(=O)CC(C)(C)C)[C@@H]2C1 ZINC000365202250 429277488 /nfs/dbraw/zinc/27/74/88/429277488.db2.gz LMXSELWCXQQKOC-DLBZAZTESA-N 2 1 323.525 2.687 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000365208323 429278838 /nfs/dbraw/zinc/27/88/38/429278838.db2.gz VTVHWMLVUHWALH-INIZCTEOSA-N 2 1 322.493 2.868 20 0 DFADMP COCCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000365469878 429324426 /nfs/dbraw/zinc/32/44/26/429324426.db2.gz IMHHTNXXHAGWCN-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000365469878 429324430 /nfs/dbraw/zinc/32/44/30/429324430.db2.gz IMHHTNXXHAGWCN-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1coc2ccccc12 ZINC000449074038 429326136 /nfs/dbraw/zinc/32/61/36/429326136.db2.gz BDYFLOKEQWWYLW-HNNXBMFYSA-N 2 1 304.434 2.922 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000449111555 429334462 /nfs/dbraw/zinc/33/44/62/429334462.db2.gz MYMXICHOCXWXDH-FUHWJXTLSA-N 2 1 317.477 2.766 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000449111555 429334464 /nfs/dbraw/zinc/33/44/64/429334464.db2.gz MYMXICHOCXWXDH-FUHWJXTLSA-N 2 1 317.477 2.766 20 0 DFADMP CC(C)CC[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000449134707 429339809 /nfs/dbraw/zinc/33/98/09/429339809.db2.gz KXEDNDZUIGGTJG-SQNIBIBYSA-N 2 1 323.525 2.768 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000449134204 429339925 /nfs/dbraw/zinc/33/99/25/429339925.db2.gz HNEYPLULCVCSIP-FMKPAKJESA-N 2 1 323.506 2.635 20 0 DFADMP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000365554411 429340913 /nfs/dbraw/zinc/34/09/13/429340913.db2.gz KWIAXECISMWDAU-CYBMUJFWSA-N 2 1 307.344 2.837 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@@H](C(=O)OC)c2ccccc2)C1 ZINC000425424901 429292861 /nfs/dbraw/zinc/29/28/61/429292861.db2.gz QBGHVBPEGYTODA-SJLPKXTDSA-N 2 1 318.461 2.607 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@@H](C(=O)OC)c2ccccc2)C1 ZINC000425424901 429292865 /nfs/dbraw/zinc/29/28/65/429292865.db2.gz QBGHVBPEGYTODA-SJLPKXTDSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@@H](C(=O)OC)c2ccccc2)C1 ZINC000425424901 429292870 /nfs/dbraw/zinc/29/28/70/429292870.db2.gz QBGHVBPEGYTODA-SJLPKXTDSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@@H](C(=O)OC)c2ccccc2)C1 ZINC000425424901 429292872 /nfs/dbraw/zinc/29/28/72/429292872.db2.gz QBGHVBPEGYTODA-SJLPKXTDSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@@H](CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000425424212 429294273 /nfs/dbraw/zinc/29/42/73/429294273.db2.gz VZWUYMMOSBAECN-WMZOPIPTSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@@H](CC[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000425424212 429294276 /nfs/dbraw/zinc/29/42/76/429294276.db2.gz VZWUYMMOSBAECN-WMZOPIPTSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@@H](CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000425424212 429294280 /nfs/dbraw/zinc/29/42/80/429294280.db2.gz VZWUYMMOSBAECN-WMZOPIPTSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@H](CC[NH2+]C(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000425493796 429308210 /nfs/dbraw/zinc/30/82/10/429308210.db2.gz PIYCEFORJGGIHU-QGZVFWFLSA-N 2 1 318.461 2.797 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000426494048 429398352 /nfs/dbraw/zinc/39/83/52/429398352.db2.gz BAFYVEXLRMXTPL-IRXDYDNUSA-N 2 1 311.514 2.734 20 0 DFADMP CCCCC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000365912955 429401934 /nfs/dbraw/zinc/40/19/34/429401934.db2.gz UKRQCONUMRTWPW-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402733 429406859 /nfs/dbraw/zinc/40/68/59/429406859.db2.gz NDBMAXUSWHFTHN-XUVXKRRUSA-N 2 1 312.457 2.833 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000449166387 429348633 /nfs/dbraw/zinc/34/86/33/429348633.db2.gz CNCNNQSODHYWPD-KCXAZCMYSA-N 2 1 323.868 2.590 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000449166387 429348637 /nfs/dbraw/zinc/34/86/37/429348637.db2.gz CNCNNQSODHYWPD-KCXAZCMYSA-N 2 1 323.868 2.590 20 0 DFADMP c1c(C[NH2+][C@@H]2CCOc3ccccc32)onc1C1CC[NH2+]CC1 ZINC000425898976 429350669 /nfs/dbraw/zinc/35/06/69/429350669.db2.gz KCLPVYVXEPVNQU-MRXNPFEDSA-N 2 1 313.401 2.755 20 0 DFADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)C12CCC[NH+]1CCC2 ZINC000365613166 429350731 /nfs/dbraw/zinc/35/07/31/429350731.db2.gz AMUARHWYHRNOOV-QGZVFWFLSA-N 2 1 319.493 2.528 20 0 DFADMP COc1cc(C)ccc1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425901577 429351728 /nfs/dbraw/zinc/35/17/28/429351728.db2.gz QBPIXNIREZCIFI-UHFFFAOYSA-N 2 1 315.417 2.748 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449242337 429364688 /nfs/dbraw/zinc/36/46/88/429364688.db2.gz FMUKISWUKSTHAY-XIRDDKMYSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449242337 429364692 /nfs/dbraw/zinc/36/46/92/429364692.db2.gz FMUKISWUKSTHAY-XIRDDKMYSA-N 2 1 308.853 2.632 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1O ZINC000426171167 429371254 /nfs/dbraw/zinc/37/12/54/429371254.db2.gz HFAPDZLKDYIFBR-OFQRWUPVSA-N 2 1 306.450 2.794 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1O ZINC000426171167 429371259 /nfs/dbraw/zinc/37/12/59/429371259.db2.gz HFAPDZLKDYIFBR-OFQRWUPVSA-N 2 1 306.450 2.794 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000449265915 429372374 /nfs/dbraw/zinc/37/23/74/429372374.db2.gz SFBMSJHINGREMU-CQSZACIVSA-N 2 1 316.424 2.610 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000449265915 429372376 /nfs/dbraw/zinc/37/23/76/429372376.db2.gz SFBMSJHINGREMU-CQSZACIVSA-N 2 1 316.424 2.610 20 0 DFADMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000449265915 429372381 /nfs/dbraw/zinc/37/23/81/429372381.db2.gz SFBMSJHINGREMU-CQSZACIVSA-N 2 1 316.424 2.610 20 0 DFADMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000449265915 429372385 /nfs/dbraw/zinc/37/23/85/429372385.db2.gz SFBMSJHINGREMU-CQSZACIVSA-N 2 1 316.424 2.610 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)s1 ZINC000426290607 429380202 /nfs/dbraw/zinc/38/02/02/429380202.db2.gz PSDCDAOKWFWRCN-MJBXVCDLSA-N 2 1 308.495 2.666 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000365841513 429384429 /nfs/dbraw/zinc/38/44/29/429384429.db2.gz PKDMLCBWRNWEIT-DOTOQJQBSA-N 2 1 301.434 2.561 20 0 DFADMP CC(C)(C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000457050453 429386359 /nfs/dbraw/zinc/38/63/59/429386359.db2.gz LPVFSVSLCILCKZ-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000517575556 429389178 /nfs/dbraw/zinc/38/91/78/429389178.db2.gz DKTCKIWREXREAE-UHFFFAOYSA-N 3 1 301.478 2.637 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000517575556 429389181 /nfs/dbraw/zinc/38/91/81/429389181.db2.gz DKTCKIWREXREAE-UHFFFAOYSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(OC)cc1OC ZINC000517582876 429389864 /nfs/dbraw/zinc/38/98/64/429389864.db2.gz BELIPUDKQDPJKJ-UHFFFAOYSA-N 2 1 317.433 2.892 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(OC)cc1OC ZINC000517582876 429389868 /nfs/dbraw/zinc/38/98/68/429389868.db2.gz BELIPUDKQDPJKJ-UHFFFAOYSA-N 2 1 317.433 2.892 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000366259234 429442964 /nfs/dbraw/zinc/44/29/64/429442964.db2.gz NCZXLYZLPXPVDN-XOKHGSTOSA-N 2 1 319.424 2.759 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@H+]2C2CC2)CCCCC1 ZINC000427444722 429450919 /nfs/dbraw/zinc/45/09/19/429450919.db2.gz SZUNPGBSPPDHPZ-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@H+]2C2CC2)CCCCC1 ZINC000427444723 429451018 /nfs/dbraw/zinc/45/10/18/429451018.db2.gz SZUNPGBSPPDHPZ-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP OCC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000449580193 429453158 /nfs/dbraw/zinc/45/31/58/429453158.db2.gz NVOMDNPSLKPMAP-GUDVDZBRSA-N 2 1 314.473 2.649 20 0 DFADMP OCC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000449580191 429453917 /nfs/dbraw/zinc/45/39/17/429453917.db2.gz NVOMDNPSLKPMAP-CEXWTWQISA-N 2 1 314.473 2.649 20 0 DFADMP OCC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000449580194 429454604 /nfs/dbraw/zinc/45/46/04/429454604.db2.gz NVOMDNPSLKPMAP-IPMKNSEASA-N 2 1 314.473 2.649 20 0 DFADMP CCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)COC1 ZINC000449601384 429459086 /nfs/dbraw/zinc/45/90/86/429459086.db2.gz RJJIUQGBXYKEEO-CEXWTWQISA-N 2 1 314.473 2.913 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000449622787 429462993 /nfs/dbraw/zinc/46/29/93/429462993.db2.gz FWYCYMJQJWUSKX-HNNXBMFYSA-N 2 1 323.440 2.791 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000449622787 429462994 /nfs/dbraw/zinc/46/29/94/429462994.db2.gz FWYCYMJQJWUSKX-HNNXBMFYSA-N 2 1 323.440 2.791 20 0 DFADMP CO[C@@H]1C[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)C12CCC2 ZINC000449632846 429464502 /nfs/dbraw/zinc/46/45/02/429464502.db2.gz NXPBFKQRNVXYKO-ZIAGYGMSSA-N 2 1 309.479 2.594 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000518397094 429420661 /nfs/dbraw/zinc/42/06/61/429420661.db2.gz OOABECQTIFVHJK-ZOBUZTSGSA-N 2 1 307.507 2.871 20 0 DFADMP Cc1cnc(CNCC2([N@@H+](C)Cc3ccccc3)CCC2)n1C ZINC000449476353 429428336 /nfs/dbraw/zinc/42/83/36/429428336.db2.gz MMMCDUVXFIWMAS-UHFFFAOYSA-N 2 1 312.461 2.873 20 0 DFADMP Cc1cnc(C[NH2+]CC2(N(C)Cc3ccccc3)CCC2)n1C ZINC000449476353 429428341 /nfs/dbraw/zinc/42/83/41/429428341.db2.gz MMMCDUVXFIWMAS-UHFFFAOYSA-N 2 1 312.461 2.873 20 0 DFADMP CC(C)Cc1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366864524 429529000 /nfs/dbraw/zinc/52/90/00/429529000.db2.gz KNVCKEJLNUBREY-UHFFFAOYSA-N 2 1 306.454 2.576 20 0 DFADMP CC(C)Cc1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366864524 429529003 /nfs/dbraw/zinc/52/90/03/429529003.db2.gz KNVCKEJLNUBREY-UHFFFAOYSA-N 2 1 306.454 2.576 20 0 DFADMP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359477236 275769433 /nfs/dbraw/zinc/76/94/33/275769433.db2.gz VZZLLKSFLSHNJW-HZPDHXFCSA-N 2 1 310.445 2.647 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)C(C)C)cc1F ZINC000366596103 429482742 /nfs/dbraw/zinc/48/27/42/429482742.db2.gz JJOVGUDDXZPEQD-SJCJKPOMSA-N 2 1 305.397 2.987 20 0 DFADMP C[N@H+]1CCN(CCC[NH2+]CC2(C)CC2)[C@H](c2ccccc2)C1 ZINC000519798307 429488586 /nfs/dbraw/zinc/48/85/86/429488586.db2.gz QDBYUNBBBGMFKF-SFHVURJKSA-N 2 1 301.478 2.755 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000519803621 429490232 /nfs/dbraw/zinc/49/02/32/429490232.db2.gz SQEKWTWFHNPXKJ-GUDVDZBRSA-N 2 1 304.478 2.690 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449742065 429492869 /nfs/dbraw/zinc/49/28/69/429492869.db2.gz XSVQPLIXDBLQAU-MNEFBYGVSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000449742065 429492872 /nfs/dbraw/zinc/49/28/72/429492872.db2.gz XSVQPLIXDBLQAU-MNEFBYGVSA-N 2 1 302.462 2.790 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000520482291 429517275 /nfs/dbraw/zinc/51/72/75/429517275.db2.gz NUUMXUKQCLRJGL-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000520482291 429517277 /nfs/dbraw/zinc/51/72/77/429517277.db2.gz NUUMXUKQCLRJGL-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000520482291 429517280 /nfs/dbraw/zinc/51/72/80/429517280.db2.gz NUUMXUKQCLRJGL-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP CCN(CC)C(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366822580 429519616 /nfs/dbraw/zinc/51/96/16/429519616.db2.gz QJJNZKZFUAFVJC-SFHVURJKSA-N 2 1 302.466 2.765 20 0 DFADMP COC(=O)c1ccccc1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366956961 429548179 /nfs/dbraw/zinc/54/81/79/429548179.db2.gz XWJXYVKGAOGPQI-UHFFFAOYSA-N 2 1 316.445 2.781 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000521369577 429549080 /nfs/dbraw/zinc/54/90/80/429549080.db2.gz AJUQYQZGHUOLID-HUUCEWRRSA-N 3 1 302.397 2.679 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000366977099 429550750 /nfs/dbraw/zinc/55/07/50/429550750.db2.gz LJZXIVGZBNXVGD-AEFFLSMTSA-N 2 1 315.461 2.870 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428807242 429554098 /nfs/dbraw/zinc/55/40/98/429554098.db2.gz QOOIJNOZYHRGDI-LJQANCHMSA-N 2 1 318.461 2.535 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@](C(=O)OC)(c2ccccc2)C1 ZINC000428807242 429554102 /nfs/dbraw/zinc/55/41/02/429554102.db2.gz QOOIJNOZYHRGDI-LJQANCHMSA-N 2 1 318.461 2.535 20 0 DFADMP COC1(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CCOCC1 ZINC000428851602 429556291 /nfs/dbraw/zinc/55/62/91/429556291.db2.gz SCZZRVUQNMVWKG-UHFFFAOYSA-N 2 1 320.477 2.812 20 0 DFADMP COC1(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000428890708 429559650 /nfs/dbraw/zinc/55/96/50/429559650.db2.gz VNPVRILWUNWVKA-CALCHBBNSA-N 2 1 312.498 2.530 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025809 429562460 /nfs/dbraw/zinc/56/24/60/429562460.db2.gz FIZCKVBJLLMBPB-INIZCTEOSA-N 2 1 312.461 2.827 20 0 DFADMP CCCn1ccnc1CCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000429246772 429589754 /nfs/dbraw/zinc/58/97/54/429589754.db2.gz TYFARSXGIIENMV-UHFFFAOYSA-N 2 1 303.454 2.753 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000429246772 429589760 /nfs/dbraw/zinc/58/97/60/429589760.db2.gz TYFARSXGIIENMV-UHFFFAOYSA-N 2 1 303.454 2.753 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000367090655 429575096 /nfs/dbraw/zinc/57/50/96/429575096.db2.gz BKSLWRAORBRPBL-GOSISDBHSA-N 2 1 324.509 2.815 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000367118208 429581218 /nfs/dbraw/zinc/58/12/18/429581218.db2.gz YTFJPZCTNAWRPS-IBGZPJMESA-N 2 1 307.526 2.916 20 0 DFADMP COCC(C)(C)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428567376 429535148 /nfs/dbraw/zinc/53/51/48/429535148.db2.gz RDMZPBSHRJTZRZ-SFHVURJKSA-N 2 1 320.477 2.540 20 0 DFADMP COCC(C)(C)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428567376 429535150 /nfs/dbraw/zinc/53/51/50/429535150.db2.gz RDMZPBSHRJTZRZ-SFHVURJKSA-N 2 1 320.477 2.540 20 0 DFADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000521252596 429545864 /nfs/dbraw/zinc/54/58/64/429545864.db2.gz KSKOELNWBDMTDK-JKSUJKDBSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](C[C@@H](O)CN1CCC(OCC2CCCCC2)CC1)C1CC1 ZINC000521318462 429546917 /nfs/dbraw/zinc/54/69/17/429546917.db2.gz BHDBUKDYAYAOKT-GOSISDBHSA-N 2 1 324.509 2.503 20 0 DFADMP CN(C[C@@H](O)C[NH+]1CCC(OCC2CCCCC2)CC1)C1CC1 ZINC000521318462 429546921 /nfs/dbraw/zinc/54/69/21/429546921.db2.gz BHDBUKDYAYAOKT-GOSISDBHSA-N 2 1 324.509 2.503 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450456406 429630734 /nfs/dbraw/zinc/63/07/34/429630734.db2.gz SRKAJSGGDRGTBA-VQTJNVASSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000450456406 429630741 /nfs/dbraw/zinc/63/07/41/429630741.db2.gz SRKAJSGGDRGTBA-VQTJNVASSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000450456406 429630746 /nfs/dbraw/zinc/63/07/46/429630746.db2.gz SRKAJSGGDRGTBA-VQTJNVASSA-N 2 1 316.489 2.908 20 0 DFADMP C[C@H](O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450456792 429631242 /nfs/dbraw/zinc/63/12/42/429631242.db2.gz UKDIUACCQOYUMG-PKOBYXMFSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450456792 429631245 /nfs/dbraw/zinc/63/12/45/429631245.db2.gz UKDIUACCQOYUMG-PKOBYXMFSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450456792 429631248 /nfs/dbraw/zinc/63/12/48/429631248.db2.gz UKDIUACCQOYUMG-PKOBYXMFSA-N 2 1 302.462 2.745 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450461208 429631661 /nfs/dbraw/zinc/63/16/61/429631661.db2.gz VDIVKOMRZKWBAL-LNLFQRSKSA-N 2 1 304.478 2.815 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)[C@H](C)c1ccccc1 ZINC000450472250 429635708 /nfs/dbraw/zinc/63/57/08/429635708.db2.gz LRLLZTJWUQESPV-MNEFBYGVSA-N 2 1 313.445 2.821 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@H](C)c1ccccc1 ZINC000450472250 429635711 /nfs/dbraw/zinc/63/57/11/429635711.db2.gz LRLLZTJWUQESPV-MNEFBYGVSA-N 2 1 313.445 2.821 20 0 DFADMP c1cncc(-c2c[nH+]ccc2NC[C@H]2CCCC[N@H+]2C2CC2)c1 ZINC000367418160 429644282 /nfs/dbraw/zinc/64/42/82/429644282.db2.gz JUTQRWMYJLXKSH-QGZVFWFLSA-N 2 1 308.429 2.994 20 0 DFADMP CCc1cc(CCC[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)on1 ZINC000450586186 429653405 /nfs/dbraw/zinc/65/34/05/429653405.db2.gz BJGVUVZRIUZSAT-WMLDXEAASA-N 2 1 302.422 2.949 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000430071680 429649141 /nfs/dbraw/zinc/64/91/41/429649141.db2.gz PFGDXQBDJJHYAI-UHFFFAOYSA-N 2 1 302.462 2.502 20 0 DFADMP C[C@@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000429352045 429600967 /nfs/dbraw/zinc/60/09/67/429600967.db2.gz HIDBKIVRAOWQAK-MAUKXSAKSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000523509864 429609189 /nfs/dbraw/zinc/60/91/89/429609189.db2.gz PUMMKAPJNRHCHM-OWCLPIDISA-N 2 1 309.498 2.581 20 0 DFADMP C[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000523509864 429609193 /nfs/dbraw/zinc/60/91/93/429609193.db2.gz PUMMKAPJNRHCHM-OWCLPIDISA-N 2 1 309.498 2.581 20 0 DFADMP C[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000523509864 429609196 /nfs/dbraw/zinc/60/91/96/429609196.db2.gz PUMMKAPJNRHCHM-OWCLPIDISA-N 2 1 309.498 2.581 20 0 DFADMP C[N@H+]1CCC[C@H](N2CCN(C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000367472667 429656193 /nfs/dbraw/zinc/65/61/93/429656193.db2.gz RTKITCRRTFWMIJ-GVTIMSHASA-N 2 1 317.452 2.551 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000367472807 429656990 /nfs/dbraw/zinc/65/69/90/429656990.db2.gz WBJIXKTWCKNJOP-SOLBZPMBSA-N 2 1 317.477 2.615 20 0 DFADMP COc1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1OC ZINC000430140241 429657000 /nfs/dbraw/zinc/65/70/00/429657000.db2.gz STTNSNICECLRGU-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1OC ZINC000430140241 429657005 /nfs/dbraw/zinc/65/70/05/429657005.db2.gz STTNSNICECLRGU-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(C)c1OC ZINC000430140241 429657010 /nfs/dbraw/zinc/65/70/10/429657010.db2.gz STTNSNICECLRGU-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c(C)c1OC ZINC000430140241 429657013 /nfs/dbraw/zinc/65/70/13/429657013.db2.gz STTNSNICECLRGU-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1OC ZINC000430140241 429657017 /nfs/dbraw/zinc/65/70/17/429657017.db2.gz STTNSNICECLRGU-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000450600354 429658495 /nfs/dbraw/zinc/65/84/95/429658495.db2.gz NLLIBECSKFREPT-TUVASFSCSA-N 2 1 302.409 2.605 20 0 DFADMP C[N@@H+](CCc1cscn1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450635318 429666794 /nfs/dbraw/zinc/66/67/94/429666794.db2.gz AWOHYVWUCMQHHD-UHFFFAOYSA-N 2 1 316.474 2.929 20 0 DFADMP CCC(=O)CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450642388 429667937 /nfs/dbraw/zinc/66/79/37/429667937.db2.gz PAZOVBUXSRVNNN-UHFFFAOYSA-N 2 1 303.450 2.989 20 0 DFADMP CC(C)c1ccc([C@@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262521105 276055891 /nfs/dbraw/zinc/05/58/91/276055891.db2.gz OCCDEMZEOFHLQL-APWZRJJASA-N 2 1 301.478 2.851 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450650001 429669975 /nfs/dbraw/zinc/66/99/75/429669975.db2.gz YHSAHRZNBGQGKZ-SJLPKXTDSA-N 2 1 302.462 2.711 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000266642829 276109625 /nfs/dbraw/zinc/10/96/25/276109625.db2.gz VAOHKPXXQFTTOM-MRXNPFEDSA-N 2 1 314.477 2.780 20 0 DFADMP CC[NH+](CC)[C@@H](C)CNCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000355282933 276112736 /nfs/dbraw/zinc/11/27/36/276112736.db2.gz BDHBSQWXWZBIAK-AWEZNQCLSA-N 2 1 324.538 2.730 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367631757 429689063 /nfs/dbraw/zinc/68/90/63/429689063.db2.gz FFGGLTNRHMOZBQ-OKYOBFRVSA-N 2 1 302.462 2.747 20 0 DFADMP CN1CCC([N@H+]2CC[C@H](NC(=O)CCCCC(C)(C)C)C2)CC1 ZINC000367628490 429689207 /nfs/dbraw/zinc/68/92/07/429689207.db2.gz IAJJJNODSCZLIX-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+]1CCC(N2CC[C@H](NC(=O)CCCCC(C)(C)C)C2)CC1 ZINC000367628490 429689211 /nfs/dbraw/zinc/68/92/11/429689211.db2.gz IAJJJNODSCZLIX-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)[C@H](C)C1 ZINC000133266347 276229410 /nfs/dbraw/zinc/22/94/10/276229410.db2.gz HIYPJTFJUOXKLO-MFJUZZNBSA-N 2 1 310.482 2.628 20 0 DFADMP CC[N@H+]1C[C@H](NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[C@@H](C)C1 ZINC000358343214 276252931 /nfs/dbraw/zinc/25/29/31/276252931.db2.gz GLYWEVOFTMTVFL-BXWFABGCSA-N 2 1 316.493 2.537 20 0 DFADMP CC[N@@H+]1C[C@H](NC2CC[NH+]([C@@H](C)c3ccncc3)CC2)[C@@H](C)C1 ZINC000358343214 276252936 /nfs/dbraw/zinc/25/29/36/276252936.db2.gz GLYWEVOFTMTVFL-BXWFABGCSA-N 2 1 316.493 2.537 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367621290 429686724 /nfs/dbraw/zinc/68/67/24/429686724.db2.gz ZVOCVNKCODMVOI-RCCFBDPRSA-N 2 1 301.434 2.607 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000430595461 429699204 /nfs/dbraw/zinc/69/92/04/429699204.db2.gz YBWJHEAKGZIERW-INIZCTEOSA-N 2 1 321.440 2.546 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000430595461 429699209 /nfs/dbraw/zinc/69/92/09/429699209.db2.gz YBWJHEAKGZIERW-INIZCTEOSA-N 2 1 321.440 2.546 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2CCc2ccccc2)n1 ZINC000430593056 429699673 /nfs/dbraw/zinc/69/96/73/429699673.db2.gz RYFUCIOTMVKJKY-HNNXBMFYSA-N 2 1 314.433 2.861 20 0 DFADMP CCOCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976970 276316550 /nfs/dbraw/zinc/31/65/50/276316550.db2.gz RSWDUODKDQZZRE-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP CCOCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976970 276316552 /nfs/dbraw/zinc/31/65/52/276316552.db2.gz RSWDUODKDQZZRE-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP CCOCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976970 276316553 /nfs/dbraw/zinc/31/65/53/276316553.db2.gz RSWDUODKDQZZRE-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000430571778 429693716 /nfs/dbraw/zinc/69/37/16/429693716.db2.gz MTUXRDCZDFZZFX-QGZVFWFLSA-N 2 1 302.422 2.632 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000430570775 429693931 /nfs/dbraw/zinc/69/39/31/429693931.db2.gz CDTPMVYISHWLAQ-YQQAZPJKSA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000430570775 429693935 /nfs/dbraw/zinc/69/39/35/429693935.db2.gz CDTPMVYISHWLAQ-YQQAZPJKSA-N 2 1 305.466 2.558 20 0 DFADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@H]1C)c1ccco1 ZINC000119081492 276336800 /nfs/dbraw/zinc/33/68/00/276336800.db2.gz HKJAGIGKZUXYTG-IKGGRYGDSA-N 2 1 307.482 2.982 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000430570772 429694498 /nfs/dbraw/zinc/69/44/98/429694498.db2.gz CDTPMVYISHWLAQ-UXLLHSPISA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000430570772 429694501 /nfs/dbraw/zinc/69/45/01/429694501.db2.gz CDTPMVYISHWLAQ-UXLLHSPISA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000430580536 429697136 /nfs/dbraw/zinc/69/71/36/429697136.db2.gz RZDZMRMZJUZHNN-HNNXBMFYSA-N 2 1 315.820 2.771 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000430594311 429698260 /nfs/dbraw/zinc/69/82/60/429698260.db2.gz VGRKQSXNCTYQPY-OAHLLOKOSA-N 2 1 302.422 2.584 20 0 DFADMP C[C@@H]1CN(c2ncnc3[nH]ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000450813420 429704755 /nfs/dbraw/zinc/70/47/55/429704755.db2.gz SHZQLHPFPIFSLV-HNNXBMFYSA-N 2 1 321.428 2.916 20 0 DFADMP CCCN(C(=O)C[C@@H](C)[NH3+])[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000430689794 429709266 /nfs/dbraw/zinc/70/92/66/429709266.db2.gz BEBJGXPVAUEPAI-AEFFLSMTSA-N 2 1 317.477 2.627 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000430731249 429714641 /nfs/dbraw/zinc/71/46/41/429714641.db2.gz LFYVXNCJLAYHPY-IRXDYDNUSA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)n1ccnc1CN1CCC[N@@H+](CC[C@@H]2CCCO2)CC1 ZINC000527047557 429718357 /nfs/dbraw/zinc/71/83/57/429718357.db2.gz SOJLAKXELMPJCM-KRWDZBQOSA-N 2 1 320.481 2.541 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430889154 429721263 /nfs/dbraw/zinc/72/12/63/429721263.db2.gz LWPMBNFJPDPWQC-VVLHAWIVSA-N 2 1 309.498 2.663 20 0 DFADMP CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809450 429721623 /nfs/dbraw/zinc/72/16/23/429721623.db2.gz GHASTMSWZZFZTJ-XJKSGUPXSA-N 2 1 320.868 2.951 20 0 DFADMP CNC(=O)CC[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450993397 429746669 /nfs/dbraw/zinc/74/66/69/429746669.db2.gz VRQMJDFYVYWZMX-IRXDYDNUSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430922567 429723163 /nfs/dbraw/zinc/72/31/63/429723163.db2.gz BGZXTLXBXHOSGI-KRWDZBQOSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430922567 429723166 /nfs/dbraw/zinc/72/31/66/429723166.db2.gz BGZXTLXBXHOSGI-KRWDZBQOSA-N 2 1 311.429 2.702 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1[NH3+] ZINC000430915558 429723180 /nfs/dbraw/zinc/72/31/80/429723180.db2.gz DCGDTPHJWHOAPB-DNVCBOLYSA-N 2 1 311.429 2.830 20 0 DFADMP COC[C@H](C)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000527108708 429724561 /nfs/dbraw/zinc/72/45/61/429724561.db2.gz YFLYNEQSTPSMIH-AEFFLSMTSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@H](C)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1 ZINC000527108708 429724564 /nfs/dbraw/zinc/72/45/64/429724564.db2.gz YFLYNEQSTPSMIH-AEFFLSMTSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@H](C)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000527108708 429724567 /nfs/dbraw/zinc/72/45/67/429724567.db2.gz YFLYNEQSTPSMIH-AEFFLSMTSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@H](C)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000527108708 429724572 /nfs/dbraw/zinc/72/45/72/429724572.db2.gz YFLYNEQSTPSMIH-AEFFLSMTSA-N 2 1 305.466 2.650 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000430938154 429727855 /nfs/dbraw/zinc/72/78/55/429727855.db2.gz APZUNSMBVWAPDF-MNOVXSKESA-N 2 1 306.435 2.918 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H](O)C(F)(F)F ZINC000371440503 276434585 /nfs/dbraw/zinc/43/45/85/276434585.db2.gz ROSXIQPVKSZWPT-ZIAGYGMSSA-N 2 1 308.388 2.685 20 0 DFADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430959157 429729864 /nfs/dbraw/zinc/72/98/64/429729864.db2.gz WVDUJIIZXFQBGW-LBPRGKRZSA-N 2 1 304.413 2.755 20 0 DFADMP C[N@H+]1CC[C@@H]2OCCN(CC34CC5CC(CC(C5)C3)C4)[C@H]2C1 ZINC000450956662 429738793 /nfs/dbraw/zinc/73/87/93/429738793.db2.gz SDKDNOOTOUUYLQ-ULJSMLAOSA-N 2 1 304.478 2.608 20 0 DFADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076791 429739808 /nfs/dbraw/zinc/73/98/08/429739808.db2.gz GUIGFWBBWLBLAT-WCQYABFASA-N 2 1 318.396 2.781 20 0 DFADMP C[C@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076791 429739811 /nfs/dbraw/zinc/73/98/11/429739811.db2.gz GUIGFWBBWLBLAT-WCQYABFASA-N 2 1 318.396 2.781 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC3CCOCC3)C1)CCCC2 ZINC000432111023 429803328 /nfs/dbraw/zinc/80/33/28/429803328.db2.gz JNMQXUSEBGIWQT-MRXNPFEDSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC3CCOCC3)C1)CCCC2 ZINC000432111023 429803331 /nfs/dbraw/zinc/80/33/31/429803331.db2.gz JNMQXUSEBGIWQT-MRXNPFEDSA-N 2 1 303.450 2.744 20 0 DFADMP Cn1cccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367958640 429752232 /nfs/dbraw/zinc/75/22/32/429752232.db2.gz FBVVSOLMXAXDBJ-MOPGFXCFSA-N 2 1 309.457 2.979 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000527496092 429753340 /nfs/dbraw/zinc/75/33/40/429753340.db2.gz RTMQWECITUFIRJ-JOQOYGCGSA-N 2 1 314.433 2.557 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000367994854 429762585 /nfs/dbraw/zinc/76/25/85/429762585.db2.gz VQRCRLMIRQQQMX-HNNXBMFYSA-N 2 1 321.465 2.594 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccco2)CC1 ZINC000367994854 429762588 /nfs/dbraw/zinc/76/25/88/429762588.db2.gz VQRCRLMIRQQQMX-HNNXBMFYSA-N 2 1 321.465 2.594 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@H]1CCc2ccccc21 ZINC000368017754 429766270 /nfs/dbraw/zinc/76/62/70/429766270.db2.gz IDEBVVOVFCOFQH-LULLPPNCSA-N 2 1 300.446 2.857 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000527652962 429773651 /nfs/dbraw/zinc/77/36/51/429773651.db2.gz HHJDEFFPJPFGCT-UHFFFAOYSA-N 2 1 314.477 2.531 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431733886 429779880 /nfs/dbraw/zinc/77/98/80/429779880.db2.gz ANXGYIAZRIMCIV-XWTMOSNGSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431733886 429779885 /nfs/dbraw/zinc/77/98/85/429779885.db2.gz ANXGYIAZRIMCIV-XWTMOSNGSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431733886 429779887 /nfs/dbraw/zinc/77/98/87/429779887.db2.gz ANXGYIAZRIMCIV-XWTMOSNGSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CC12CC2 ZINC000527847012 429807900 /nfs/dbraw/zinc/80/79/00/429807900.db2.gz ZYEFDBRSBGLATN-XHSDSOJGSA-N 2 1 319.518 2.815 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH]cnc3C1)CCCO2 ZINC000368104167 429788426 /nfs/dbraw/zinc/78/84/26/429788426.db2.gz BZZQLYMJVGNZPG-IUODEOHRSA-N 2 1 313.401 2.779 20 0 DFADMP COc1cccc(C[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C2CC2)c1 ZINC000368103685 429789896 /nfs/dbraw/zinc/78/98/96/429789896.db2.gz XXDCHNMAAJXODD-QAPCUYQASA-N 2 1 311.429 2.887 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000493602780 429794570 /nfs/dbraw/zinc/79/45/70/429794570.db2.gz ORTDAWFPWSOPLK-KCITZHQASA-N 2 1 307.526 2.959 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000493602780 429794572 /nfs/dbraw/zinc/79/45/72/429794572.db2.gz ORTDAWFPWSOPLK-KCITZHQASA-N 2 1 307.526 2.959 20 0 DFADMP COc1ccccc1/C=C\C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432362627 429817276 /nfs/dbraw/zinc/81/72/76/429817276.db2.gz NJCDTIQGVSEODP-OOYWPUHTSA-N 2 1 318.461 2.799 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C12CCCC2 ZINC000432413452 429822059 /nfs/dbraw/zinc/82/20/59/429822059.db2.gz MRZJJSKJIXZKPZ-OKZBNKHCSA-N 2 1 324.509 2.815 20 0 DFADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000368281341 429824778 /nfs/dbraw/zinc/82/47/78/429824778.db2.gz BJARFKWBDHQZMR-YLJYHZDGSA-N 3 1 324.472 2.930 20 0 DFADMP C[C@@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527977419 429829467 /nfs/dbraw/zinc/82/94/67/429829467.db2.gz FKWPDRWLNQYBGY-ZTRSQXPZSA-N 2 1 300.446 2.666 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@H](C)C1 ZINC000527998368 429833431 /nfs/dbraw/zinc/83/34/31/429833431.db2.gz MFGONXWPTUADEO-XDNAFOTISA-N 2 1 312.498 2.669 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3COC3)[C@@H]3CCC[C@H]32)cc1 ZINC000528032312 429840763 /nfs/dbraw/zinc/84/07/63/429840763.db2.gz ZXFQHWGXTQFKAD-GBESFXJTSA-N 2 1 300.446 2.666 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000493889926 429846370 /nfs/dbraw/zinc/84/63/70/429846370.db2.gz ZGLSXIYIUFYNSD-IRXDYDNUSA-N 2 1 321.371 2.980 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H](C)[NH3+] ZINC000493991740 429852692 /nfs/dbraw/zinc/85/26/92/429852692.db2.gz IZBLLQXZLVNIBV-ZNMIVQPWSA-N 2 1 303.450 2.983 20 0 DFADMP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000494306303 429866358 /nfs/dbraw/zinc/86/63/58/429866358.db2.gz CZDNFIKWZJAPBP-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)c1nn(C)c(Cl)c1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368216908 429809694 /nfs/dbraw/zinc/80/96/94/429809694.db2.gz BPCZXKVTPZLLHV-SNVBAGLBSA-N 2 1 307.829 2.567 20 0 DFADMP CC(C)c1cccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000527856950 429810309 /nfs/dbraw/zinc/81/03/09/429810309.db2.gz ACGHXOBZINOJDG-INIZCTEOSA-N 2 1 317.477 2.625 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000494481729 429876998 /nfs/dbraw/zinc/87/69/98/429876998.db2.gz BRMLDMLNGSGPEB-DLBZAZTESA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000368607580 429877466 /nfs/dbraw/zinc/87/74/66/429877466.db2.gz ILKNNSIPXULXHF-SJQORLFUSA-N 2 1 302.462 2.961 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494555365 429879681 /nfs/dbraw/zinc/87/96/81/429879681.db2.gz QFZFFWVRVGZIQY-ZIAGYGMSSA-N 2 1 313.486 2.752 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000528387099 429884279 /nfs/dbraw/zinc/88/42/79/429884279.db2.gz LASQEGBZLXDDIE-MAUKXSAKSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000528387099 429884281 /nfs/dbraw/zinc/88/42/81/429884281.db2.gz LASQEGBZLXDDIE-MAUKXSAKSA-N 2 1 306.425 2.931 20 0 DFADMP CC[C@@]1(C(=O)N2CCC[C@@H](n3cc[nH+]c3C(C)C)C2)CCC[NH2+]1 ZINC000368659615 429884298 /nfs/dbraw/zinc/88/42/98/429884298.db2.gz OOWPYDGTHHJLNS-QAPCUYQASA-N 2 1 318.465 2.702 20 0 DFADMP OCc1ccc(F)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000528421770 429887088 /nfs/dbraw/zinc/88/70/88/429887088.db2.gz BFPJLUUVKZVLAJ-BEFAXECRSA-N 2 1 318.436 2.767 20 0 DFADMP CC(C)c1[nH+]c(CN(C)C[C@H]2CCC[N@@H+]2C)c2ccccn21 ZINC000573125408 429928673 /nfs/dbraw/zinc/92/86/73/429928673.db2.gz GILNKJLBFIRRDJ-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP CC(C)c1[nH+]c(CN(C)C[C@H]2CCC[N@H+]2C)c2ccccn21 ZINC000573125408 429928678 /nfs/dbraw/zinc/92/86/78/429928678.db2.gz GILNKJLBFIRRDJ-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000369140651 429915355 /nfs/dbraw/zinc/91/53/55/429915355.db2.gz UNTRUKVRQDGYGJ-WMZOPIPTSA-N 2 1 302.462 2.913 20 0 DFADMP Cn1cncc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000368584345 429870946 /nfs/dbraw/zinc/87/09/46/429870946.db2.gz MMSOGOVGCBCUKI-GOSISDBHSA-N 2 1 312.461 2.812 20 0 DFADMP Cn1cncc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368584345 429870950 /nfs/dbraw/zinc/87/09/50/429870950.db2.gz MMSOGOVGCBCUKI-GOSISDBHSA-N 2 1 312.461 2.812 20 0 DFADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368578436 429871862 /nfs/dbraw/zinc/87/18/62/429871862.db2.gz NAKJDTGBMUCHLP-YESZJQIVSA-N 2 1 312.498 2.528 20 0 DFADMP CN(CC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Cc1ccccc1 ZINC000451704710 429875478 /nfs/dbraw/zinc/87/54/78/429875478.db2.gz XLSOJWAPKRDLRU-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](CCN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Cc1ccccc1 ZINC000451704710 429875482 /nfs/dbraw/zinc/87/54/82/429875482.db2.gz XLSOJWAPKRDLRU-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](CCN1CC[C@@H]2C[C@@H](O)CC[C@H]2C1)Cc1ccccc1 ZINC000451704710 429875486 /nfs/dbraw/zinc/87/54/86/429875486.db2.gz XLSOJWAPKRDLRU-QYZOEREBSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000494481731 429876200 /nfs/dbraw/zinc/87/62/00/429876200.db2.gz BRMLDMLNGSGPEB-IAGOWNOFSA-N 2 1 304.478 2.894 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484475 429955308 /nfs/dbraw/zinc/95/53/08/429955308.db2.gz NAOQWUYHIHUADR-BBRMVZONSA-N 2 1 300.406 2.586 20 0 DFADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484475 429955312 /nfs/dbraw/zinc/95/53/12/429955312.db2.gz NAOQWUYHIHUADR-BBRMVZONSA-N 2 1 300.406 2.586 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484475 429955314 /nfs/dbraw/zinc/95/53/14/429955314.db2.gz NAOQWUYHIHUADR-BBRMVZONSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484475 429955319 /nfs/dbraw/zinc/95/53/19/429955319.db2.gz NAOQWUYHIHUADR-BBRMVZONSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484475 429955322 /nfs/dbraw/zinc/95/53/22/429955322.db2.gz NAOQWUYHIHUADR-BBRMVZONSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+](C)Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000558349929 429967550 /nfs/dbraw/zinc/96/75/50/429967550.db2.gz JZVBWUBFVAGTJN-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP CN(CC[N@H+]1CCC2(C1)CC[NH+](C)CC2)Cc1ccc(F)cc1 ZINC000639757958 429970156 /nfs/dbraw/zinc/97/01/56/429970156.db2.gz QEIJUIGADCXGGK-UHFFFAOYSA-N 2 1 319.468 2.675 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)CC1 ZINC000639757538 429970858 /nfs/dbraw/zinc/97/08/58/429970858.db2.gz HLWQJFMHRMWJTF-UHFFFAOYSA-N 2 1 310.445 2.790 20 0 DFADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759784 429971779 /nfs/dbraw/zinc/97/17/79/429971779.db2.gz JMRLEJNCVXLZPI-MRXNPFEDSA-N 2 1 315.461 2.740 20 0 DFADMP Clc1ccc2nc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)cn2c1 ZINC000369365756 429930857 /nfs/dbraw/zinc/93/08/57/429930857.db2.gz GIIXXJNSQDBHHI-GFCCVEGCSA-N 2 1 315.808 2.536 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc3c1CCOC3)C2 ZINC000639659839 429936909 /nfs/dbraw/zinc/93/69/09/429936909.db2.gz PRYSUUDHCAJSGC-LJQANCHMSA-N 2 1 300.446 2.677 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000639659839 429936913 /nfs/dbraw/zinc/93/69/13/429936913.db2.gz PRYSUUDHCAJSGC-LJQANCHMSA-N 2 1 300.446 2.677 20 0 DFADMP CSC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000574444302 430041965 /nfs/dbraw/zinc/04/19/65/430041965.db2.gz XDWJKTMMIKGKOW-CRAIPNDOSA-N 2 1 322.518 2.875 20 0 DFADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000639984179 430044523 /nfs/dbraw/zinc/04/45/23/430044523.db2.gz RTLALQAEUSRLFC-SFHVURJKSA-N 2 1 302.462 2.540 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@@H](n2ccnn2)CC1 ZINC000639815878 429991379 /nfs/dbraw/zinc/99/13/79/429991379.db2.gz AOXMCXIUYFZKJY-SJORKVTESA-N 2 1 305.470 2.568 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@@H](n2ccnn2)CC1 ZINC000639815878 429991383 /nfs/dbraw/zinc/99/13/83/429991383.db2.gz AOXMCXIUYFZKJY-SJORKVTESA-N 2 1 305.470 2.568 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639920673 430022783 /nfs/dbraw/zinc/02/27/83/430022783.db2.gz ZBGCSZWWMYVXTO-XJKSGUPXSA-N 2 1 314.832 2.977 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639920673 430022789 /nfs/dbraw/zinc/02/27/89/430022789.db2.gz ZBGCSZWWMYVXTO-XJKSGUPXSA-N 2 1 314.832 2.977 20 0 DFADMP Cc1scc(CNC[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000634725025 430092127 /nfs/dbraw/zinc/09/21/27/430092127.db2.gz DRXWMQRQQXDIGC-GOSISDBHSA-N 2 1 318.486 2.947 20 0 DFADMP Cc1scc(CNC[C@@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000634725025 430092130 /nfs/dbraw/zinc/09/21/30/430092130.db2.gz DRXWMQRQQXDIGC-GOSISDBHSA-N 2 1 318.486 2.947 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000634732766 430092909 /nfs/dbraw/zinc/09/29/09/430092909.db2.gz OKMBCGOGWRAEJX-LLVKDONJSA-N 2 1 301.356 2.968 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000634734072 430093077 /nfs/dbraw/zinc/09/30/77/430093077.db2.gz WECLZCAXNMWFEO-FGTMMUONSA-N 2 1 301.478 2.848 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000530222618 430105521 /nfs/dbraw/zinc/10/55/21/430105521.db2.gz SKXRENUBBFLYAK-QZTJIDSGSA-N 2 1 311.429 2.716 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000562090825 430107916 /nfs/dbraw/zinc/10/79/16/430107916.db2.gz VYHNHTRAXMCMSV-IKGGRYGDSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000562090825 430107921 /nfs/dbraw/zinc/10/79/21/430107921.db2.gz VYHNHTRAXMCMSV-IKGGRYGDSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562101099 430108236 /nfs/dbraw/zinc/10/82/36/430108236.db2.gz ZGRJUBKWRAKALT-WCQYABFASA-N 2 1 324.428 2.848 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000562090827 430108402 /nfs/dbraw/zinc/10/84/02/430108402.db2.gz VYHNHTRAXMCMSV-ZACQAIPSSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000562090827 430108405 /nfs/dbraw/zinc/10/84/05/430108405.db2.gz VYHNHTRAXMCMSV-ZACQAIPSSA-N 2 1 312.498 2.671 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000560524804 430053577 /nfs/dbraw/zinc/05/35/77/430053577.db2.gz QJLPEHGQNKPINC-FYQPLNBISA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000560524804 430053579 /nfs/dbraw/zinc/05/35/79/430053579.db2.gz QJLPEHGQNKPINC-FYQPLNBISA-N 2 1 316.489 2.894 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561228918 430083146 /nfs/dbraw/zinc/08/31/46/430083146.db2.gz FZLMMGJYJNYBMW-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1ccc2cc[nH+]c(N3CCC([C@@H]4OCC[C@H]4[NH3+])CC3)c2c1 ZINC000580774250 430152673 /nfs/dbraw/zinc/15/26/73/430152673.db2.gz NZENEVFGHPHMKZ-MSOLQXFVSA-N 2 1 311.429 2.876 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000580918907 430162551 /nfs/dbraw/zinc/16/25/51/430162551.db2.gz JWJHUPMGWWXPQJ-ZDUSSCGKSA-N 2 1 306.841 2.808 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000580918907 430162555 /nfs/dbraw/zinc/16/25/55/430162555.db2.gz JWJHUPMGWWXPQJ-ZDUSSCGKSA-N 2 1 306.841 2.808 20 0 DFADMP Fc1ccc2oc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000634979272 430182178 /nfs/dbraw/zinc/18/21/78/430182178.db2.gz ZVBNFBJHXVTXIJ-LLVKDONJSA-N 2 1 300.337 2.516 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000581185925 430185879 /nfs/dbraw/zinc/18/58/79/430185879.db2.gz IEPRSQBRILZTJD-UHFFFAOYSA-N 2 1 320.824 2.853 20 0 DFADMP C[C@H](Cc1ccsc1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000541225180 430186651 /nfs/dbraw/zinc/18/66/51/430186651.db2.gz GSRZHJMDZCCAQL-CABCVRRESA-N 2 1 310.507 2.704 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000634994401 430186941 /nfs/dbraw/zinc/18/69/41/430186941.db2.gz BNKSUTPRKQQLNB-HXUWFJFHSA-N 2 1 322.456 2.906 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000634994401 430186945 /nfs/dbraw/zinc/18/69/45/430186945.db2.gz BNKSUTPRKQQLNB-HXUWFJFHSA-N 2 1 322.456 2.906 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(-c2ccc(N)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000634995196 430187191 /nfs/dbraw/zinc/18/71/91/430187191.db2.gz YAASKNKEZCCVCO-HOCLYGCPSA-N 2 1 310.445 2.809 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000272820078 277083586 /nfs/dbraw/zinc/08/35/86/277083586.db2.gz UTSLMJGCKSAPTR-VHSSKADRSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000272820078 277083589 /nfs/dbraw/zinc/08/35/89/277083589.db2.gz UTSLMJGCKSAPTR-VHSSKADRSA-N 2 1 301.434 2.922 20 0 DFADMP Cc1cccc2c1ccnc2NC1CC[NH+](CCN(C)C)CC1 ZINC000581128283 430181535 /nfs/dbraw/zinc/18/15/35/430181535.db2.gz ROYQZCPLBGTXCG-UHFFFAOYSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@@H]1C[NH3+] ZINC000634998616 430188604 /nfs/dbraw/zinc/18/86/04/430188604.db2.gz IMHRKBKFJCFKKR-RDJZCZTQSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000634998448 430189410 /nfs/dbraw/zinc/18/94/10/430189410.db2.gz FTIYNAFLXIAPIT-DGCLKSJQSA-N 2 1 304.825 2.757 20 0 DFADMP OCC[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000634997532 430189440 /nfs/dbraw/zinc/18/94/40/430189440.db2.gz NNCJTJMQOJFDLM-DOMZBBRYSA-N 2 1 300.805 2.634 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OCC(C)C ZINC000634999534 430189853 /nfs/dbraw/zinc/18/98/53/430189853.db2.gz VWSJSQZXIYVQBA-GDBMZVCRSA-N 2 1 306.450 2.757 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000634999057 430190421 /nfs/dbraw/zinc/19/04/21/430190421.db2.gz PGKGGIGBCUEFJI-MAUKXSAKSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@H]1C[NH3+] ZINC000634999056 430190461 /nfs/dbraw/zinc/19/04/61/430190461.db2.gz PGKGGIGBCUEFJI-CRAIPNDOSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1c[nH+]ccc1N ZINC000635002994 430191231 /nfs/dbraw/zinc/19/12/31/430191231.db2.gz DEMCJLXYHVSTGW-SOLBZPMBSA-N 2 1 324.472 2.913 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000635003829 430191652 /nfs/dbraw/zinc/19/16/52/430191652.db2.gz LYSPIOKNCOGVFH-JYBIWHBTSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000635003829 430191655 /nfs/dbraw/zinc/19/16/55/430191655.db2.gz LYSPIOKNCOGVFH-JYBIWHBTSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH2+]CC[C@H]1C ZINC000635003829 430191659 /nfs/dbraw/zinc/19/16/59/430191659.db2.gz LYSPIOKNCOGVFH-JYBIWHBTSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@H](C(=O)NC1CCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531192 430191892 /nfs/dbraw/zinc/19/18/92/430191892.db2.gz LFFVCDSDBWBCHN-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCN1C(=O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532299 430192789 /nfs/dbraw/zinc/19/27/89/430192789.db2.gz CYPRFXXNMHGSRZ-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000358227173 277159213 /nfs/dbraw/zinc/15/92/13/277159213.db2.gz AFCYMDIWMMKJDF-IAGOWNOFSA-N 2 1 308.853 2.764 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000358227173 277159216 /nfs/dbraw/zinc/15/92/16/277159216.db2.gz AFCYMDIWMMKJDF-IAGOWNOFSA-N 2 1 308.853 2.764 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979674 430193997 /nfs/dbraw/zinc/19/39/97/430193997.db2.gz UZIQIPQFXNEHBI-NVXWUHKLSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979674 430194000 /nfs/dbraw/zinc/19/40/00/430194000.db2.gz UZIQIPQFXNEHBI-NVXWUHKLSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979674 430194004 /nfs/dbraw/zinc/19/40/04/430194004.db2.gz UZIQIPQFXNEHBI-NVXWUHKLSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979674 430194007 /nfs/dbraw/zinc/19/40/07/430194007.db2.gz UZIQIPQFXNEHBI-NVXWUHKLSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1cccnc1 ZINC000581305358 430197783 /nfs/dbraw/zinc/19/77/83/430197783.db2.gz FESMXAUWJPELST-INIZCTEOSA-N 2 1 318.465 2.654 20 0 DFADMP CCCC[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000581322519 430198974 /nfs/dbraw/zinc/19/89/74/430198974.db2.gz IZBPUVTZZORZHA-AWEZNQCLSA-N 2 1 304.438 2.598 20 0 DFADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000164350463 277248879 /nfs/dbraw/zinc/24/88/79/277248879.db2.gz HFSHFXHYJVBMGF-IAGOWNOFSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542167428 430203761 /nfs/dbraw/zinc/20/37/61/430203761.db2.gz ONECYMUCPGKFFO-RYRKJORJSA-N 2 1 321.534 2.637 20 0 DFADMP Cc1cnc(C)nc1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000565220941 430205306 /nfs/dbraw/zinc/20/53/06/430205306.db2.gz HNQXMZXIYQVENP-HNNXBMFYSA-N 2 1 316.474 3.479 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)o1 ZINC000640606147 430207366 /nfs/dbraw/zinc/20/73/66/430207366.db2.gz VPJNFZWPMWNNSV-GASCZTMLSA-N 2 1 321.465 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)[C@@H](C)C2)o1 ZINC000640606147 430207368 /nfs/dbraw/zinc/20/73/68/430207368.db2.gz VPJNFZWPMWNNSV-GASCZTMLSA-N 2 1 321.465 2.676 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@H]2C[NH+]2CCCC2)c1C ZINC000066665165 277362973 /nfs/dbraw/zinc/36/29/73/277362973.db2.gz UCRSUQIKXKTSEP-INIZCTEOSA-N 2 1 303.450 2.767 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CCC2C[NH2+]C2)cc1 ZINC000638064469 430223652 /nfs/dbraw/zinc/22/36/52/430223652.db2.gz UIXZIZVSTCFXPI-HNNXBMFYSA-N 2 1 315.461 2.999 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)C1 ZINC000638063607 430224584 /nfs/dbraw/zinc/22/45/84/430224584.db2.gz NMSFKYWVWHSENP-PBHICJAKSA-N 2 1 313.445 2.905 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000565520459 430214815 /nfs/dbraw/zinc/21/48/15/430214815.db2.gz XDPQQDLVFCOBIV-QXCZDIPSSA-N 2 1 300.446 2.949 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000565520461 430215091 /nfs/dbraw/zinc/21/50/91/430215091.db2.gz XDPQQDLVFCOBIV-UJWQCDCRSA-N 2 1 300.446 2.949 20 0 DFADMP C[N@H+]1CC[C@H](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000635266972 430243330 /nfs/dbraw/zinc/24/33/30/430243330.db2.gz HZRUDVVMEXOIHZ-QGZVFWFLSA-N 2 1 315.461 2.953 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000635326074 430256199 /nfs/dbraw/zinc/25/61/99/430256199.db2.gz UFRZUOCYGXLTBQ-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635326074 430256205 /nfs/dbraw/zinc/25/62/05/430256205.db2.gz UFRZUOCYGXLTBQ-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635326074 430256210 /nfs/dbraw/zinc/25/62/10/430256210.db2.gz UFRZUOCYGXLTBQ-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000566408015 430258634 /nfs/dbraw/zinc/25/86/34/430258634.db2.gz XJVQUFKAJYJGJE-ZBFHGGJFSA-N 2 1 302.466 2.516 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000566408015 430258639 /nfs/dbraw/zinc/25/86/39/430258639.db2.gz XJVQUFKAJYJGJE-ZBFHGGJFSA-N 2 1 302.466 2.516 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000566424728 430260240 /nfs/dbraw/zinc/26/02/40/430260240.db2.gz OUZOSTMJONLNSP-IBGZPJMESA-N 2 1 318.509 2.708 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[NH+]1CCCC1 ZINC000566481869 430266183 /nfs/dbraw/zinc/26/61/83/430266183.db2.gz GXWBUSJBPBQJMJ-JZXOWHBKSA-N 2 1 317.477 2.692 20 0 DFADMP C[C@H](Cc1ccsc1)[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000544008751 430270683 /nfs/dbraw/zinc/27/06/83/430270683.db2.gz PBZHCQUDTIPNDL-MWQQHZPXSA-N 2 1 308.491 2.863 20 0 DFADMP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+](C)C(C)(C)C)CC1 ZINC000582179651 430277011 /nfs/dbraw/zinc/27/70/11/430277011.db2.gz PNPSFACFAHQCTR-MRXNPFEDSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)C)CC1 ZINC000582179651 430277015 /nfs/dbraw/zinc/27/70/15/430277015.db2.gz PNPSFACFAHQCTR-MRXNPFEDSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c3c(nn2C)CCCC3)C[C@@H]1C ZINC000638109772 430236828 /nfs/dbraw/zinc/23/68/28/430236828.db2.gz GRCYYOWTQVPMBZ-GJZGRUSLSA-N 2 1 304.482 2.604 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(OC)cccc2OC)[C@H](C)C1 ZINC000638110980 430238787 /nfs/dbraw/zinc/23/87/87/430238787.db2.gz ATTPQWCABCCBST-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638257951 430286889 /nfs/dbraw/zinc/28/68/89/430286889.db2.gz DCLQMRZBBRUSJA-KRWDZBQOSA-N 2 1 321.424 2.750 20 0 DFADMP Cc1[nH+]cc(CNc2cccc3c2OCC[C@@H]3[NH+](C)C)n1C ZINC000567915952 430292711 /nfs/dbraw/zinc/29/27/11/430292711.db2.gz DBCNHUBONJTPLM-INIZCTEOSA-N 2 1 300.406 2.726 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)c(F)c1 ZINC000638300375 430297727 /nfs/dbraw/zinc/29/77/27/430297727.db2.gz HQAQKYUVVMNCEN-GFCCVEGCSA-N 2 1 312.404 2.851 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000567985718 430301605 /nfs/dbraw/zinc/30/16/05/430301605.db2.gz NZAGQLHWUKOTGC-CVEARBPZSA-N 2 1 309.498 2.535 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@@H]1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000641168163 430350342 /nfs/dbraw/zinc/35/03/42/430350342.db2.gz CNENRFQQGKVPNM-QGZVFWFLSA-N 2 1 305.470 2.527 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(C[NH+]2CCCCC2)nn1 ZINC000641168163 430350344 /nfs/dbraw/zinc/35/03/44/430350344.db2.gz CNENRFQQGKVPNM-QGZVFWFLSA-N 2 1 305.470 2.527 20 0 DFADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635546536 430304499 /nfs/dbraw/zinc/30/44/99/430304499.db2.gz APAAYMWYKFAOCI-SFHVURJKSA-N 2 1 321.509 2.776 20 0 DFADMP COc1cc(F)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000568034141 430308865 /nfs/dbraw/zinc/30/88/65/430308865.db2.gz JTBCFZOAZIYJMY-ZDUSSCGKSA-N 2 1 310.413 2.664 20 0 DFADMP C[C@H]1CCC[C@H]1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000545300635 430314235 /nfs/dbraw/zinc/31/42/35/430314235.db2.gz FASSAMLHJDWIKI-GJZGRUSLSA-N 2 1 316.449 2.598 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c[nH]c2ncncc12 ZINC000638365522 430318014 /nfs/dbraw/zinc/31/80/14/430318014.db2.gz FHCTVZPCDQJZHV-CQSZACIVSA-N 2 1 301.438 2.654 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638365229 430318147 /nfs/dbraw/zinc/31/81/47/430318147.db2.gz CRVRLUFNOJMYCY-OAHLLOKOSA-N 2 1 319.449 2.597 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@]12CCCO2 ZINC000638366292 430318269 /nfs/dbraw/zinc/31/82/69/430318269.db2.gz MZBYCPBDSBNWQG-NCXUSEDFSA-N 2 1 324.509 2.815 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638365457 430318298 /nfs/dbraw/zinc/31/82/98/430318298.db2.gz DGBPGHOIYXVYJH-INDMIFKZSA-N 2 1 324.509 2.957 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000638365228 430318779 /nfs/dbraw/zinc/31/87/79/430318779.db2.gz CRVRLUFNOJMYCY-HNNXBMFYSA-N 2 1 319.449 2.597 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)[C@@H](C)C1 ZINC000635603099 430321284 /nfs/dbraw/zinc/32/12/84/430321284.db2.gz LXOZJCIIOYURCL-YESZJQIVSA-N 2 1 320.481 2.659 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638378958 430323213 /nfs/dbraw/zinc/32/32/13/430323213.db2.gz UJFWXXRYEBYMJU-QAPCUYQASA-N 2 1 319.493 2.537 20 0 DFADMP CC(C)O[C@@H](C[NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000638410811 430332986 /nfs/dbraw/zinc/33/29/86/430332986.db2.gz CUHOREYJAKNLLH-OALUTQOASA-N 2 1 320.477 2.589 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000638409386 430334484 /nfs/dbraw/zinc/33/44/84/430334484.db2.gz KZKLFCKRLQUPTI-BZUAXINKSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000638409386 430334487 /nfs/dbraw/zinc/33/44/87/430334487.db2.gz KZKLFCKRLQUPTI-BZUAXINKSA-N 2 1 309.498 2.534 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000568236441 430336782 /nfs/dbraw/zinc/33/67/82/430336782.db2.gz KKFABNDRWMCZMZ-UHFFFAOYSA-N 2 1 314.477 2.675 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCC23CCC3)c2cccs2)CC1 ZINC000582832939 430338162 /nfs/dbraw/zinc/33/81/62/430338162.db2.gz FVVBWWVCWAZJNX-RDJZCZTQSA-N 2 1 319.518 2.959 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638450783 430346362 /nfs/dbraw/zinc/34/63/62/430346362.db2.gz HMJOWOLUXXRLHY-ROUUACIJSA-N 2 1 301.478 2.834 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547733019 430416481 /nfs/dbraw/zinc/41/64/81/430416481.db2.gz KFQXNSWUVACRQX-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547733019 430416485 /nfs/dbraw/zinc/41/64/85/430416485.db2.gz KFQXNSWUVACRQX-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547733019 430416488 /nfs/dbraw/zinc/41/64/88/430416488.db2.gz KFQXNSWUVACRQX-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP c1n[nH]c2c1CCC[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380974 430352436 /nfs/dbraw/zinc/35/24/36/430352436.db2.gz WARXSIQCJPHVFT-JTDSTZFVSA-N 2 1 324.428 2.633 20 0 DFADMP c1[nH]nc2c1CCC[C@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380974 430352440 /nfs/dbraw/zinc/35/24/40/430352440.db2.gz WARXSIQCJPHVFT-JTDSTZFVSA-N 2 1 324.428 2.633 20 0 DFADMP c1cnn(C2CC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC000638521781 430366998 /nfs/dbraw/zinc/36/69/98/430366998.db2.gz OUNKBOQUFJWJII-XEVCZEQESA-N 2 1 324.472 2.741 20 0 DFADMP Cc1cnc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000638524820 430367241 /nfs/dbraw/zinc/36/72/41/430367241.db2.gz RWQFYFAHRYFIPL-UHFFFAOYSA-N 2 1 318.421 2.590 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1cncc(Br)c1 ZINC000568533880 430369334 /nfs/dbraw/zinc/36/93/34/430369334.db2.gz YWVDTGQMHAFMPJ-GFCCVEGCSA-N 2 1 312.255 2.981 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CC3(F)F)C2)nc(C)[nH+]1 ZINC000638532980 430370052 /nfs/dbraw/zinc/37/00/52/430370052.db2.gz PPYYTLYUMSFQHS-UBHSHLNASA-N 2 1 310.392 2.696 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000568617992 430376292 /nfs/dbraw/zinc/37/62/92/430376292.db2.gz KLEDQRUPBVQDLI-IIDMSEBBSA-N 2 1 303.450 2.629 20 0 DFADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000638570793 430378515 /nfs/dbraw/zinc/37/85/15/430378515.db2.gz HRVBDHCFBUMRTK-KSZLIROESA-N 2 1 321.509 2.688 20 0 DFADMP CC(C)[C@H]1C[C@@H](NC[C@H](O)C[N@@H+](C)C2CC2)c2ccccc21 ZINC000568742806 430387556 /nfs/dbraw/zinc/38/75/56/430387556.db2.gz XHORNJWGBZBAAE-KFKAGJAMSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H](O)CN(C)C2CC2)c2ccccc21 ZINC000568742806 430387560 /nfs/dbraw/zinc/38/75/60/430387560.db2.gz XHORNJWGBZBAAE-KFKAGJAMSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)c2ccccc21 ZINC000568742806 430387566 /nfs/dbraw/zinc/38/75/66/430387566.db2.gz XHORNJWGBZBAAE-KFKAGJAMSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c2ccccc21 ZINC000568742806 430387570 /nfs/dbraw/zinc/38/75/70/430387570.db2.gz XHORNJWGBZBAAE-KFKAGJAMSA-N 2 1 302.462 2.916 20 0 DFADMP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000568756388 430389365 /nfs/dbraw/zinc/38/93/65/430389365.db2.gz GMLJFRIBGDRPLY-NUJGCVRESA-N 2 1 317.477 2.703 20 0 DFADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000568766798 430390980 /nfs/dbraw/zinc/39/09/80/430390980.db2.gz MVNPIRLRJVEFHF-RDJZCZTQSA-N 2 1 317.477 2.513 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000638621322 430392687 /nfs/dbraw/zinc/39/26/87/430392687.db2.gz WEMUCGAJICFWRF-XLIONFOSSA-N 2 1 316.489 2.618 20 0 DFADMP Cc1cccnc1[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000638633015 430392837 /nfs/dbraw/zinc/39/28/37/430392837.db2.gz UQKZRSODXMAXLA-QGZVFWFLSA-N 2 1 319.493 2.912 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(O[C@H]2CCOC2)c1 ZINC000583434947 430394208 /nfs/dbraw/zinc/39/42/08/430394208.db2.gz UAGJNEDYEGHYBJ-NUJGCVRESA-N 2 1 318.461 2.640 20 0 DFADMP CCOC1CC(C[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)C1 ZINC000638636603 430395003 /nfs/dbraw/zinc/39/50/03/430395003.db2.gz DTEIDYDDYCCLFN-UHFFFAOYSA-N 2 1 324.509 2.815 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1)C(C)C ZINC000638644964 430398190 /nfs/dbraw/zinc/39/81/90/430398190.db2.gz TXQYJSHABOIAJQ-MAUKXSAKSA-N 2 1 317.477 2.787 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccco1 ZINC000583493853 430400481 /nfs/dbraw/zinc/40/04/81/430400481.db2.gz CKZFVSWLHRWLCJ-IEZWGBDMSA-N 2 1 314.429 2.514 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641708498 430448897 /nfs/dbraw/zinc/44/88/97/430448897.db2.gz RVGSGDMVCAATDE-ZIAGYGMSSA-N 2 1 316.449 2.726 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(c2cccs2)CCCCC1)C1CC1 ZINC000584048249 430452781 /nfs/dbraw/zinc/45/27/81/430452781.db2.gz ISTMBSWAGMNYTD-INIZCTEOSA-N 2 1 322.518 2.995 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(c2cccs2)CCCCC1)C1CC1 ZINC000584048249 430452787 /nfs/dbraw/zinc/45/27/87/430452787.db2.gz ISTMBSWAGMNYTD-INIZCTEOSA-N 2 1 322.518 2.995 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CC1(c2cccs2)CCCCC1)C1CC1 ZINC000584048250 430453920 /nfs/dbraw/zinc/45/39/20/430453920.db2.gz ISTMBSWAGMNYTD-MRXNPFEDSA-N 2 1 322.518 2.995 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(c2cccs2)CCCCC1)C1CC1 ZINC000584048250 430453923 /nfs/dbraw/zinc/45/39/23/430453923.db2.gz ISTMBSWAGMNYTD-MRXNPFEDSA-N 2 1 322.518 2.995 20 0 DFADMP COc1cncc(/C=C/CC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000584050455 430454469 /nfs/dbraw/zinc/45/44/69/430454469.db2.gz VDYFEYHABYDVDQ-FPYGCLRLSA-N 2 1 303.450 2.911 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2N)CC[N@@H+]1Cc1ccccc1 ZINC000641734090 430456086 /nfs/dbraw/zinc/45/60/86/430456086.db2.gz ZNRFEUMMJYHYGS-CRAIPNDOSA-N 2 1 310.445 2.807 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccncc2N)CC[N@H+]1Cc1ccccc1 ZINC000641734090 430456088 /nfs/dbraw/zinc/45/60/88/430456088.db2.gz ZNRFEUMMJYHYGS-CRAIPNDOSA-N 2 1 310.445 2.807 20 0 DFADMP [NH3+]CCC[C@@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000584100776 430458202 /nfs/dbraw/zinc/45/82/02/430458202.db2.gz DETBFTBXPWBQEF-LJQANCHMSA-N 2 1 301.478 2.931 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569483940 430458337 /nfs/dbraw/zinc/45/83/37/430458337.db2.gz ZBNRRBCZVKSAPI-QZTJIDSGSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569483940 430458341 /nfs/dbraw/zinc/45/83/41/430458341.db2.gz ZBNRRBCZVKSAPI-QZTJIDSGSA-N 2 1 302.462 2.790 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000569495156 430460537 /nfs/dbraw/zinc/46/05/37/430460537.db2.gz CXBHDGHSBGHSCL-QGZVFWFLSA-N 2 1 310.869 2.832 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(Cl)cc2)CC1 ZINC000569495156 430460543 /nfs/dbraw/zinc/46/05/43/430460543.db2.gz CXBHDGHSBGHSCL-QGZVFWFLSA-N 2 1 310.869 2.832 20 0 DFADMP Cc1cc(N2CCC([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)CC2)nc(C)[nH+]1 ZINC000638872939 430461886 /nfs/dbraw/zinc/46/18/86/430461886.db2.gz BOZHGJQWWSYPOE-MUJYYYPQSA-N 2 1 300.450 2.698 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000641769996 430467144 /nfs/dbraw/zinc/46/71/44/430467144.db2.gz HHHPNUCRGNWHSV-OAHLLOKOSA-N 2 1 300.393 2.807 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000641770447 430467587 /nfs/dbraw/zinc/46/75/87/430467587.db2.gz RZCIJDNRDRXPTC-YVACAVLKSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548393227 430468856 /nfs/dbraw/zinc/46/88/56/430468856.db2.gz RXYNMIVZQMOYJY-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H](O)C(C)(C)C)CC2)oc1C ZINC000584227232 430470728 /nfs/dbraw/zinc/47/07/28/430470728.db2.gz LBDYBXMCOVAHSQ-INIZCTEOSA-N 2 1 323.481 2.500 20 0 DFADMP CC1(C)[C@H]([NH2+]Cc2cncc(OCc3ccccc3)c2)C[C@@H]1[NH3+] ZINC000641801225 430475935 /nfs/dbraw/zinc/47/59/35/430475935.db2.gz NZTHTWQUSJTWPU-ZWKOTPCHSA-N 2 1 311.429 2.876 20 0 DFADMP Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641805530 430477519 /nfs/dbraw/zinc/47/75/19/430477519.db2.gz NKJDQAAZDATYAV-QWHCGFSZSA-N 2 1 309.841 2.611 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000641803955 430477555 /nfs/dbraw/zinc/47/75/55/430477555.db2.gz GJOSIDKXRDXQGV-VXGBXAGGSA-N 2 1 316.232 2.647 20 0 DFADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCC(=O)Nc2ccccc2F)[C@H]1C ZINC000641809274 430480193 /nfs/dbraw/zinc/48/01/93/430480193.db2.gz QHMXCLKYZFZGAT-HZSPNIEDSA-N 2 1 307.413 2.602 20 0 DFADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCC(=O)Nc2ccccc2F)[C@H]1C ZINC000641809274 430480195 /nfs/dbraw/zinc/48/01/95/430480195.db2.gz QHMXCLKYZFZGAT-HZSPNIEDSA-N 2 1 307.413 2.602 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCCC1 ZINC000638730465 430419780 /nfs/dbraw/zinc/41/97/80/430419780.db2.gz WSJRRGDIXBTRKY-GOSISDBHSA-N 2 1 312.498 2.671 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000547798651 430422963 /nfs/dbraw/zinc/42/29/63/430422963.db2.gz NVLNEGHLWSEEKW-IAGOWNOFSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CC1(F)F ZINC000638972615 430484450 /nfs/dbraw/zinc/48/44/50/430484450.db2.gz VRMUZLRAEOHROX-JQFCIGGWSA-N 2 1 324.415 2.777 20 0 DFADMP c1cc2c(ncnc2NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000588896638 430484508 /nfs/dbraw/zinc/48/45/08/430484508.db2.gz RVZURWIZCZKIGM-INIZCTEOSA-N 2 1 321.428 3.282 20 0 DFADMP c1cc2c(nc[nH+]c2NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000588896638 430484510 /nfs/dbraw/zinc/48/45/10/430484510.db2.gz RVZURWIZCZKIGM-INIZCTEOSA-N 2 1 321.428 3.282 20 0 DFADMP c1cc2c(nc[nH+]c2NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000588896638 430484513 /nfs/dbraw/zinc/48/45/13/430484513.db2.gz RVZURWIZCZKIGM-INIZCTEOSA-N 2 1 321.428 3.282 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CC1(F)F ZINC000638972619 430485571 /nfs/dbraw/zinc/48/55/71/430485571.db2.gz VRMUZLRAEOHROX-XKQJLSEDSA-N 2 1 324.415 2.777 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000548721254 430494750 /nfs/dbraw/zinc/49/47/50/430494750.db2.gz LBKMTCIACUPXIM-HOTGVXAUSA-N 2 1 309.498 2.582 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000548719917 430494971 /nfs/dbraw/zinc/49/49/71/430494971.db2.gz TWCFTKWVQFXACP-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000548719917 430494975 /nfs/dbraw/zinc/49/49/75/430494975.db2.gz TWCFTKWVQFXACP-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000548719917 430494977 /nfs/dbraw/zinc/49/49/77/430494977.db2.gz TWCFTKWVQFXACP-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP O=C(NC[C@@H]1CC[N@H+]1C1CCCCC1)[C@H]1CC[NH+]1C1CCCC1 ZINC000636253718 430496186 /nfs/dbraw/zinc/49/61/86/430496186.db2.gz ONBSACBVHRDOCY-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636253718 430496189 /nfs/dbraw/zinc/49/61/89/430496189.db2.gz ONBSACBVHRDOCY-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636253718 430496193 /nfs/dbraw/zinc/49/61/93/430496193.db2.gz ONBSACBVHRDOCY-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1CCc1ccccc1 ZINC000569937769 430499924 /nfs/dbraw/zinc/49/99/24/430499924.db2.gz NNHPYVCZRZTXOM-RBUKOAKNSA-N 2 1 304.478 2.786 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c1 ZINC000549034969 430515450 /nfs/dbraw/zinc/51/54/50/430515450.db2.gz OWOJJIYDBPXXJK-KFKAGJAMSA-N 2 1 300.446 2.797 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCc2nccn2C1 ZINC000639078335 430515857 /nfs/dbraw/zinc/51/58/57/430515857.db2.gz ZLNZONILZDLJPN-MSOLQXFVSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639078335 430515862 /nfs/dbraw/zinc/51/58/62/430515862.db2.gz ZLNZONILZDLJPN-MSOLQXFVSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639078335 430515863 /nfs/dbraw/zinc/51/58/63/430515863.db2.gz ZLNZONILZDLJPN-MSOLQXFVSA-N 2 1 324.472 2.904 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccccc2OCCCCO)CC1 ZINC000639104053 430525196 /nfs/dbraw/zinc/52/51/96/430525196.db2.gz OEJICTXTKDSIEB-GOSISDBHSA-N 2 1 320.477 2.754 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccccc2OCCCCO)CC1 ZINC000639104053 430525197 /nfs/dbraw/zinc/52/51/97/430525197.db2.gz OEJICTXTKDSIEB-GOSISDBHSA-N 2 1 320.477 2.754 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]C[C@H]1CCN(c3ccccc3)C1)CC2 ZINC000639104299 430525916 /nfs/dbraw/zinc/52/59/16/430525916.db2.gz BAKHMLWSRQMZIL-IAGOWNOFSA-N 2 1 310.445 2.562 20 0 DFADMP C[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570329514 430533274 /nfs/dbraw/zinc/53/32/74/430533274.db2.gz QFQAQXDHNMZWDP-CVEARBPZSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570329514 430533277 /nfs/dbraw/zinc/53/32/77/430533277.db2.gz QFQAQXDHNMZWDP-CVEARBPZSA-N 2 1 310.482 2.772 20 0 DFADMP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)cn1 ZINC000639133682 430538158 /nfs/dbraw/zinc/53/81/58/430538158.db2.gz VNUFCPSCTINZHZ-GOSISDBHSA-N 2 1 304.482 2.739 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550996866 430549417 /nfs/dbraw/zinc/54/94/17/430549417.db2.gz GVHJKGLTNRKCFO-RTBURBONSA-N 2 1 323.440 2.711 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccn(C(F)F)c1=O ZINC000639175223 430555393 /nfs/dbraw/zinc/55/53/93/430555393.db2.gz JOMBDNVTBJGOAA-UHFFFAOYSA-N 2 1 313.392 2.551 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)c1)O[C@@H](C)C2 ZINC000551430649 430556876 /nfs/dbraw/zinc/55/68/76/430556876.db2.gz GJZKTLIXMOIJMN-LSDHHAIUSA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)c1)O[C@@H](C)C2 ZINC000551430649 430556880 /nfs/dbraw/zinc/55/68/80/430556880.db2.gz GJZKTLIXMOIJMN-LSDHHAIUSA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)CC2 ZINC000639177829 430558215 /nfs/dbraw/zinc/55/82/15/430558215.db2.gz HKGXEMWMHMECEK-KBRIMQKVSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)[C@@H]1CC[NH+](C)C[C@H]1C)CC2 ZINC000639177829 430558218 /nfs/dbraw/zinc/55/82/18/430558218.db2.gz HKGXEMWMHMECEK-KBRIMQKVSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC000639177829 430558222 /nfs/dbraw/zinc/55/82/22/430558222.db2.gz HKGXEMWMHMECEK-KBRIMQKVSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000639177829 430558226 /nfs/dbraw/zinc/55/82/26/430558226.db2.gz HKGXEMWMHMECEK-KBRIMQKVSA-N 2 1 318.461 2.963 20 0 DFADMP Fc1ccc2ccc(C[NH2+][C@@H]3CCc4[nH]cnc4C3)nc2c1F ZINC000639191419 430563159 /nfs/dbraw/zinc/56/31/59/430563159.db2.gz JKFFJMRRFZDIOA-LLVKDONJSA-N 2 1 314.339 2.883 20 0 DFADMP Fc1ccc2ccc(C[NH2+][C@H]3CCc4[nH]cnc4C3)nc2c1F ZINC000639191420 430564546 /nfs/dbraw/zinc/56/45/46/430564546.db2.gz JKFFJMRRFZDIOA-NSHDSACASA-N 2 1 314.339 2.883 20 0 DFADMP CCO[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643250625 430567217 /nfs/dbraw/zinc/56/72/17/430567217.db2.gz PXZIEWYBSXSYMQ-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CCO[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643250625 430567221 /nfs/dbraw/zinc/56/72/21/430567221.db2.gz PXZIEWYBSXSYMQ-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000552047819 430581837 /nfs/dbraw/zinc/58/18/37/430581837.db2.gz ZTFANYIMHBFQTJ-XDNAFOTISA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000552047819 430581840 /nfs/dbraw/zinc/58/18/40/430581840.db2.gz ZTFANYIMHBFQTJ-XDNAFOTISA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000552047819 430581845 /nfs/dbraw/zinc/58/18/45/430581845.db2.gz ZTFANYIMHBFQTJ-XDNAFOTISA-N 2 1 307.526 2.959 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@@H](C)c3c[nH+]ccc3N)c2c1 ZINC000643453979 430602067 /nfs/dbraw/zinc/60/20/67/430602067.db2.gz QRIMZOHILPYJRL-LBPRGKRZSA-N 2 1 310.401 2.877 20 0 DFADMP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)([NH+](C)C)C1 ZINC000552223294 430590759 /nfs/dbraw/zinc/59/07/59/430590759.db2.gz MMNAGPYQIJMRFD-QQXKLLMISA-N 2 1 307.526 2.959 20 0 DFADMP C[N@H+]1C[C@@H](CNCc2cc(C3CC3)no2)[C@H](c2ccccc2)C1 ZINC000639286081 430597890 /nfs/dbraw/zinc/59/78/90/430597890.db2.gz NGUMUZFFRZPAOQ-AEFFLSMTSA-N 2 1 311.429 2.987 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000571079930 430602400 /nfs/dbraw/zinc/60/24/00/430602400.db2.gz JHDJAWMVIPPDOB-CYBMUJFWSA-N 2 1 324.494 2.846 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CC(C)(C)Oc1ccccc1)CCO2 ZINC000639285066 430598151 /nfs/dbraw/zinc/59/81/51/430598151.db2.gz BBRCLJCBVOPPIY-UHFFFAOYSA-N 2 1 318.461 2.641 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)c1cccc(Cl)c1)C1CC1 ZINC000571040259 430598647 /nfs/dbraw/zinc/59/86/47/430598647.db2.gz YWWGVIJOXGOFTF-MRXNPFEDSA-N 2 1 310.869 2.662 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)c1cccc(Cl)c1)C1CC1 ZINC000571040259 430598652 /nfs/dbraw/zinc/59/86/52/430598652.db2.gz YWWGVIJOXGOFTF-MRXNPFEDSA-N 2 1 310.869 2.662 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000571042376 430599250 /nfs/dbraw/zinc/59/92/50/430599250.db2.gz BGSVRPOCSBYGQH-LPRVLWEOSA-N 2 1 315.461 2.910 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000571042376 430599253 /nfs/dbraw/zinc/59/92/53/430599253.db2.gz BGSVRPOCSBYGQH-LPRVLWEOSA-N 2 1 315.461 2.910 20 0 DFADMP CC[N@@H+](CCC[NH2+]C[C@H](OC)[C@H]1CCOC1)C1CCCCC1 ZINC000639289780 430599649 /nfs/dbraw/zinc/59/96/49/430599649.db2.gz COQLSIYFNVLFTB-WMZOPIPTSA-N 2 1 312.498 2.672 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C)n1 ZINC000639483171 430651622 /nfs/dbraw/zinc/65/16/22/430651622.db2.gz RSQJWADPJJILBY-KGLIPLIRSA-N 2 1 302.340 2.894 20 0 DFADMP Cc1cc(C)c(CN2CCC[C@@H]2[C@H](O)C(F)(F)F)c(C)n1 ZINC000639483171 430651624 /nfs/dbraw/zinc/65/16/24/430651624.db2.gz RSQJWADPJJILBY-KGLIPLIRSA-N 2 1 302.340 2.894 20 0 DFADMP COC[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000643456350 430602963 /nfs/dbraw/zinc/60/29/63/430602963.db2.gz TVHZMTQMYQQTFG-QMTHXVAHSA-N 2 1 302.340 2.590 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457626 430604021 /nfs/dbraw/zinc/60/40/21/430604021.db2.gz RIJBNGPKBJETCR-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457650 430604386 /nfs/dbraw/zinc/60/43/86/430604386.db2.gz UPSPIDAPJPWDFZ-DFQSSKMNSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457650 430604388 /nfs/dbraw/zinc/60/43/88/430604388.db2.gz UPSPIDAPJPWDFZ-DFQSSKMNSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457650 430604391 /nfs/dbraw/zinc/60/43/91/430604391.db2.gz UPSPIDAPJPWDFZ-DFQSSKMNSA-N 3 1 315.505 2.876 20 0 DFADMP FC(F)CN1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000643460067 430604848 /nfs/dbraw/zinc/60/48/48/430604848.db2.gz SJYICAVSVLHCQY-IAGOWNOFSA-N 2 1 323.431 2.799 20 0 DFADMP CCOc1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC000643482384 430607445 /nfs/dbraw/zinc/60/74/45/430607445.db2.gz DXFVZFAWIGZQTM-CKQIIDDLSA-N 2 1 302.418 2.782 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000571175184 430610156 /nfs/dbraw/zinc/61/01/56/430610156.db2.gz CDVDXYFFJJSPRC-OAHLLOKOSA-N 2 1 307.463 2.764 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(C)c1OC ZINC000643502652 430610396 /nfs/dbraw/zinc/61/03/96/430610396.db2.gz MMVYODHQZZTVPV-CZUORRHYSA-N 2 1 306.450 2.675 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH2+]C3CC3)[C@H]3CCC[C@H]32)cc1 ZINC000643507389 430612077 /nfs/dbraw/zinc/61/20/77/430612077.db2.gz BNHKQVJNCVEPCT-HSALFYBXSA-N 2 1 313.489 2.771 20 0 DFADMP Cn1c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc2ccccc21 ZINC000639334520 430612680 /nfs/dbraw/zinc/61/26/80/430612680.db2.gz FJRCSFCNHXSDDA-SFHVURJKSA-N 2 1 315.461 2.721 20 0 DFADMP Cn1c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc2ccccc21 ZINC000639334520 430612684 /nfs/dbraw/zinc/61/26/84/430612684.db2.gz FJRCSFCNHXSDDA-SFHVURJKSA-N 2 1 315.461 2.721 20 0 DFADMP COc1ccc(C[C@@H]([NH2+]C[C@@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000643528470 430612672 /nfs/dbraw/zinc/61/26/72/430612672.db2.gz JWSYHCNRQGUHMK-AUUYWEPGSA-N 2 1 314.429 2.924 20 0 DFADMP COc1cccc(C)c1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000639334873 430612926 /nfs/dbraw/zinc/61/29/26/430612926.db2.gz KAQFLOZWKLPGBI-INIZCTEOSA-N 2 1 306.450 2.546 20 0 DFADMP COc1cccc(C)c1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000639334873 430612930 /nfs/dbraw/zinc/61/29/30/430612930.db2.gz KAQFLOZWKLPGBI-INIZCTEOSA-N 2 1 306.450 2.546 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639358806 430619831 /nfs/dbraw/zinc/61/98/31/430619831.db2.gz DMSFEZDGEWLVBS-YUKKFIBKSA-N 2 1 324.472 2.944 20 0 DFADMP O[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)c(Cl)c2)C1 ZINC000639370923 430622253 /nfs/dbraw/zinc/62/22/53/430622253.db2.gz PEJHIKPXOBNCFC-VBNZEHGJSA-N 2 1 312.816 2.556 20 0 DFADMP O[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)c(Cl)c2)C1 ZINC000639370923 430622255 /nfs/dbraw/zinc/62/22/55/430622255.db2.gz PEJHIKPXOBNCFC-VBNZEHGJSA-N 2 1 312.816 2.556 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000639375795 430625931 /nfs/dbraw/zinc/62/59/31/430625931.db2.gz FLHNDWAGQQYDOA-UHFFFAOYSA-N 2 1 304.482 2.693 20 0 DFADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)F ZINC000639378415 430628267 /nfs/dbraw/zinc/62/82/67/430628267.db2.gz UTVVBHQKCBLWSP-USXIJHARSA-N 2 1 324.415 2.960 20 0 DFADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)F ZINC000639378415 430628269 /nfs/dbraw/zinc/62/82/69/430628269.db2.gz UTVVBHQKCBLWSP-USXIJHARSA-N 2 1 324.415 2.960 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639389555 430632730 /nfs/dbraw/zinc/63/27/30/430632730.db2.gz KVZOMVPITHTFQM-WNHJNPCNSA-N 2 1 300.446 2.858 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639389555 430632731 /nfs/dbraw/zinc/63/27/31/430632731.db2.gz KVZOMVPITHTFQM-WNHJNPCNSA-N 2 1 300.446 2.858 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccccc1Cl ZINC000571526533 430633967 /nfs/dbraw/zinc/63/39/67/430633967.db2.gz VMRQKEUFDPRJBJ-HZPDHXFCSA-N 2 1 323.868 2.591 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1O ZINC000572094827 430671430 /nfs/dbraw/zinc/67/14/30/430671430.db2.gz MKUSUHLCGXZSIJ-HOCLYGCPSA-N 2 1 306.450 2.653 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1O ZINC000572094825 430671552 /nfs/dbraw/zinc/67/15/52/430671552.db2.gz MKUSUHLCGXZSIJ-GDBMZVCRSA-N 2 1 306.450 2.653 20 0 DFADMP COc1cc(F)c(C[N@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000572369614 430684435 /nfs/dbraw/zinc/68/44/35/430684435.db2.gz NJEBAWSNPRAAPG-UHFFFAOYSA-N 2 1 321.396 2.870 20 0 DFADMP COc1cc(F)c(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1OC ZINC000572369614 430684437 /nfs/dbraw/zinc/68/44/37/430684437.db2.gz NJEBAWSNPRAAPG-UHFFFAOYSA-N 2 1 321.396 2.870 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cc[nH]c(=O)c3)C1)CCCC2 ZINC000639598037 430679073 /nfs/dbraw/zinc/67/90/73/430679073.db2.gz NESLWHISVBZNMM-OAHLLOKOSA-N 2 1 312.417 2.618 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cc[nH]c(=O)c3)C1)CCCC2 ZINC000639598037 430679076 /nfs/dbraw/zinc/67/90/76/430679076.db2.gz NESLWHISVBZNMM-OAHLLOKOSA-N 2 1 312.417 2.618 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359453983 278212576 /nfs/dbraw/zinc/21/25/76/278212576.db2.gz GRLWZVACPALMHX-UHFFFAOYSA-N 2 1 311.429 2.996 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359453983 278212577 /nfs/dbraw/zinc/21/25/77/278212577.db2.gz GRLWZVACPALMHX-UHFFFAOYSA-N 2 1 311.429 2.996 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)CC[NH2+]1 ZINC000556942909 430696480 /nfs/dbraw/zinc/69/64/80/430696480.db2.gz RXCFILWZFGGWQN-XNJGSVPQSA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)CC[NH2+]1 ZINC000556942909 430696482 /nfs/dbraw/zinc/69/64/82/430696482.db2.gz RXCFILWZFGGWQN-XNJGSVPQSA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338317244 278393070 /nfs/dbraw/zinc/39/30/70/278393070.db2.gz PLQAYRKABGKQBN-ZIAGYGMSSA-N 2 1 304.425 2.589 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccccc2F)CC1 ZINC000264309066 278395784 /nfs/dbraw/zinc/39/57/84/278395784.db2.gz ZJDQJWVGWJQQFK-HUUCEWRRSA-N 2 1 308.441 2.911 20 0 DFADMP Brc1c[nH+]ccc1NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000664679523 430721574 /nfs/dbraw/zinc/72/15/74/430721574.db2.gz SEKNRVCCBGKYFI-ZDUSSCGKSA-N 2 1 324.266 2.800 20 0 DFADMP Brc1c[nH+]ccc1NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664679523 430721578 /nfs/dbraw/zinc/72/15/78/430721578.db2.gz SEKNRVCCBGKYFI-ZDUSSCGKSA-N 2 1 324.266 2.800 20 0 DFADMP Clc1sccc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657750557 430725007 /nfs/dbraw/zinc/72/50/07/430725007.db2.gz BFFPYXMUERNTQH-ZDUSSCGKSA-N 2 1 300.855 2.744 20 0 DFADMP CCCc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657752248 430725988 /nfs/dbraw/zinc/72/59/88/430725988.db2.gz OEXUSGCRSYSBAQ-LJQANCHMSA-N 2 1 302.462 2.982 20 0 DFADMP COc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000657750157 430726340 /nfs/dbraw/zinc/72/63/40/430726340.db2.gz BWDRXEBWGPYXDU-OAHLLOKOSA-N 2 1 324.852 2.692 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCC(C)(F)F ZINC000644655584 430781736 /nfs/dbraw/zinc/78/17/36/430781736.db2.gz HSUROOFOKPRJTI-OAHLLOKOSA-N 2 1 300.393 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCC(C)(F)F ZINC000644655584 430781741 /nfs/dbraw/zinc/78/17/41/430781741.db2.gz HSUROOFOKPRJTI-OAHLLOKOSA-N 2 1 300.393 2.504 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657999347 430782595 /nfs/dbraw/zinc/78/25/95/430782595.db2.gz UKFZVAHHQZKJRU-ROUUACIJSA-N 2 1 300.446 2.810 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773381 430731759 /nfs/dbraw/zinc/73/17/59/430731759.db2.gz RDABJMFOUUBHTD-ROUUACIJSA-N 2 1 300.446 2.667 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCCC23CC3)c2cccs2)CC1 ZINC000657815093 430743434 /nfs/dbraw/zinc/74/34/34/430743434.db2.gz DELBUGSJKOTJSH-DOTOQJQBSA-N 2 1 319.518 2.959 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)(C)C(F)F ZINC000657872792 430756110 /nfs/dbraw/zinc/75/61/10/430756110.db2.gz SHHMXBWKCYKJSL-CYBMUJFWSA-N 2 1 305.457 2.529 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867807 430757075 /nfs/dbraw/zinc/75/70/75/430757075.db2.gz PKFMLLPORLIZOC-RTBURBONSA-N 2 1 314.473 2.852 20 0 DFADMP COc1nccnc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000648357819 430759107 /nfs/dbraw/zinc/75/91/07/430759107.db2.gz QEQJTHADUJPVOL-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000657875472 430759492 /nfs/dbraw/zinc/75/94/92/430759492.db2.gz KQBSNWRZXHQLCX-GPMSIDNRSA-N 2 1 306.494 2.889 20 0 DFADMP C[N@@H+](CCCC[NH2+]CCC(=O)Nc1ccccc1F)C1CC1 ZINC000644665809 430784854 /nfs/dbraw/zinc/78/48/54/430784854.db2.gz QQNAHBRTTXXOCW-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000644666598 430784874 /nfs/dbraw/zinc/78/48/74/430784874.db2.gz PMMNJRDSKILWRG-RBUKOAKNSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H](C1CC1)C1CCC1 ZINC000644666598 430784877 /nfs/dbraw/zinc/78/48/77/430784877.db2.gz PMMNJRDSKILWRG-RBUKOAKNSA-N 2 1 302.462 2.648 20 0 DFADMP C[NH+](CCCCC[N@H+](C)CC1=CCCOC1)CC1=CCCOC1 ZINC000661656127 430792303 /nfs/dbraw/zinc/79/23/03/430792303.db2.gz OZOFRGXOXJLCEY-UHFFFAOYSA-N 2 1 322.493 2.714 20 0 DFADMP Cc1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000648452300 430792956 /nfs/dbraw/zinc/79/29/56/430792956.db2.gz UYADQSLXMJIMGS-LJQANCHMSA-N 2 1 302.462 2.771 20 0 DFADMP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000658178111 430836428 /nfs/dbraw/zinc/83/64/28/430836428.db2.gz YWIFWBBGHZWOAN-LJQANCHMSA-N 2 1 302.462 2.689 20 0 DFADMP C[C@@]1(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1(F)F ZINC000658221678 430844966 /nfs/dbraw/zinc/84/49/66/430844966.db2.gz OENOROAGICIISC-HUUCEWRRSA-N 2 1 302.409 2.655 20 0 DFADMP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665292529 430888863 /nfs/dbraw/zinc/88/88/63/430888863.db2.gz BZNGWPKFLVWJML-JKSUJKDBSA-N 2 1 312.417 2.615 20 0 DFADMP CCc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000651710406 430856117 /nfs/dbraw/zinc/85/61/17/430856117.db2.gz AAPCHRKSXBLSAF-IBGZPJMESA-N 2 1 302.462 2.982 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000651709139 430856197 /nfs/dbraw/zinc/85/61/97/430856197.db2.gz LSPQEULCIBLIEJ-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000651709139 430856201 /nfs/dbraw/zinc/85/62/01/430856201.db2.gz LSPQEULCIBLIEJ-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000654996262 430861825 /nfs/dbraw/zinc/86/18/25/430861825.db2.gz LUFUIITUCFUGGQ-MRXNPFEDSA-N 2 1 324.428 2.608 20 0 DFADMP CCC[N@@H+]1CC[C@@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286532 430862176 /nfs/dbraw/zinc/86/21/76/430862176.db2.gz AMIRRWAXVYNKMZ-SJLPKXTDSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@H+]1CC[C@@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286532 430862178 /nfs/dbraw/zinc/86/21/78/430862178.db2.gz AMIRRWAXVYNKMZ-SJLPKXTDSA-N 2 1 319.493 2.762 20 0 DFADMP C[C@@H]1[C@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@H+]1C ZINC000648714553 430866563 /nfs/dbraw/zinc/86/65/63/430866563.db2.gz OUHORISXMZSNQR-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249578 430869016 /nfs/dbraw/zinc/86/90/16/430869016.db2.gz TTZZWCCVNZYFBY-WMZOPIPTSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CCOCC1 ZINC000665254545 430871399 /nfs/dbraw/zinc/87/13/99/430871399.db2.gz SUTFJXYYWZXWLW-MORSLUCNSA-N 2 1 306.425 2.676 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000665257637 430872548 /nfs/dbraw/zinc/87/25/48/430872548.db2.gz OXILUGJTPDVIBJ-NRSFXHEJSA-N 2 1 306.425 2.676 20 0 DFADMP Cc1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)cc2c1 ZINC000665261929 430873824 /nfs/dbraw/zinc/87/38/24/430873824.db2.gz ORPWEWLBTXKJJH-KSZLIROESA-N 2 1 314.429 2.988 20 0 DFADMP COCc1csc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000665263067 430873954 /nfs/dbraw/zinc/87/39/54/430873954.db2.gz FWCQPZAPBVUZGX-DYVFJYSZSA-N 2 1 304.459 2.943 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@H]3CCC[NH2+]CC3)on2)cc1 ZINC000665261656 430875410 /nfs/dbraw/zinc/87/54/10/430875410.db2.gz IUMXRGDASFFFRD-AWEZNQCLSA-N 2 1 301.390 2.582 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000648755244 430882495 /nfs/dbraw/zinc/88/24/95/430882495.db2.gz UXHQBBMSVSNBBK-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000648755244 430882499 /nfs/dbraw/zinc/88/24/99/430882499.db2.gz UXHQBBMSVSNBBK-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC(CO)C2)CC1 ZINC000658353836 430882980 /nfs/dbraw/zinc/88/29/80/430882980.db2.gz SKZGARVQHWMBNP-UHFFFAOYSA-N 2 1 302.462 2.790 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000658353772 430883560 /nfs/dbraw/zinc/88/35/60/430883560.db2.gz RSCNSVMIJHYRPS-WKXIVMOISA-N 2 1 314.473 2.790 20 0 DFADMP CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665282253 430883859 /nfs/dbraw/zinc/88/38/59/430883859.db2.gz UHQCNLKBYWZELB-YTQUADARSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665282253 430883865 /nfs/dbraw/zinc/88/38/65/430883865.db2.gz UHQCNLKBYWZELB-YTQUADARSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665282253 430883870 /nfs/dbraw/zinc/88/38/70/430883870.db2.gz UHQCNLKBYWZELB-YTQUADARSA-N 3 1 303.494 2.860 20 0 DFADMP OCC1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658355726 430884478 /nfs/dbraw/zinc/88/44/78/430884478.db2.gz JGYNCLVJVAUWGX-KMMPOOCJSA-N 2 1 314.473 2.648 20 0 DFADMP OCC1CC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658357256 430885323 /nfs/dbraw/zinc/88/53/23/430885323.db2.gz UCFHRNNTWGQBQZ-DJPWPSDPSA-N 2 1 300.446 2.543 20 0 DFADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](CC2CCC2)c2ccccc2)n1 ZINC000665291611 430886028 /nfs/dbraw/zinc/88/60/28/430886028.db2.gz GQVKTWCYRWLMFU-INIZCTEOSA-N 2 1 312.417 2.662 20 0 DFADMP CC(C)c1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290550 430886445 /nfs/dbraw/zinc/88/64/45/430886445.db2.gz CKKXVMVVKFLDPQ-LBPRGKRZSA-N 2 1 300.406 2.615 20 0 DFADMP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658189893 430838305 /nfs/dbraw/zinc/83/83/05/430838305.db2.gz ZPUCCHXTVMXAMY-NCXUSEDFSA-N 2 1 302.462 2.648 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@@H](C)C1 ZINC000658205992 430841333 /nfs/dbraw/zinc/84/13/33/430841333.db2.gz GFJBAORYEQCZDP-DSLXNQLJSA-N 2 1 302.462 2.879 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299914 430891234 /nfs/dbraw/zinc/89/12/34/430891234.db2.gz VILFNBNLIUCBCB-RHSMWYFYSA-N 3 1 316.493 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299914 430891238 /nfs/dbraw/zinc/89/12/38/430891238.db2.gz VILFNBNLIUCBCB-RHSMWYFYSA-N 2 1 316.493 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299914 430891240 /nfs/dbraw/zinc/89/12/40/430891240.db2.gz VILFNBNLIUCBCB-RHSMWYFYSA-N 2 1 316.493 2.621 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000651866575 430898128 /nfs/dbraw/zinc/89/81/28/430898128.db2.gz JKNAWINUYXYHPQ-UHFFFAOYSA-N 2 1 301.438 2.539 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000651866575 430898135 /nfs/dbraw/zinc/89/81/35/430898135.db2.gz JKNAWINUYXYHPQ-UHFFFAOYSA-N 2 1 301.438 2.539 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(CCC(F)(F)F)CC1 ZINC000651866180 430898330 /nfs/dbraw/zinc/89/83/30/430898330.db2.gz XTXMOQKGGWAHNM-UHFFFAOYSA-N 2 1 323.447 2.971 20 0 DFADMP CC(C)C[N@H+](C)CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000651866180 430898334 /nfs/dbraw/zinc/89/83/34/430898334.db2.gz XTXMOQKGGWAHNM-UHFFFAOYSA-N 2 1 323.447 2.971 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000651866180 430898338 /nfs/dbraw/zinc/89/83/38/430898338.db2.gz XTXMOQKGGWAHNM-UHFFFAOYSA-N 2 1 323.447 2.971 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@]3(CCOC3)C2)cc1 ZINC000648814369 430900471 /nfs/dbraw/zinc/90/04/71/430900471.db2.gz KANABCZAIXVAKD-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP C[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CCCCC1 ZINC000645095049 430900735 /nfs/dbraw/zinc/90/07/35/430900735.db2.gz QXJPJULBVBQHHU-MJGOQNOKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000655130785 430905289 /nfs/dbraw/zinc/90/52/89/430905289.db2.gz YOEJJDQNPAXOGX-DYVFJYSZSA-N 2 1 301.434 2.516 20 0 DFADMP c1cc([C@@H]2C[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCO2)ccn1 ZINC000651966099 430927671 /nfs/dbraw/zinc/92/76/71/430927671.db2.gz PDUVMBPBWWJLPG-MLHJIOFPSA-N 2 1 301.434 2.518 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648909142 430934755 /nfs/dbraw/zinc/93/47/55/430934755.db2.gz GNBPYEDDMOMVQE-CABCVRRESA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648909142 430934760 /nfs/dbraw/zinc/93/47/60/430934760.db2.gz GNBPYEDDMOMVQE-CABCVRRESA-N 2 1 308.470 2.633 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659021034 430941840 /nfs/dbraw/zinc/94/18/40/430941840.db2.gz AKPZENGQPZAFJO-ZDUSSCGKSA-N 2 1 316.449 2.532 20 0 DFADMP FC1(F)Oc2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2O1 ZINC000652038172 430942267 /nfs/dbraw/zinc/94/22/67/430942267.db2.gz LRMJWILURXFXIJ-KBPBESRZSA-N 2 1 324.371 2.767 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000662150307 430979494 /nfs/dbraw/zinc/97/94/94/430979494.db2.gz USILXXJXYCQFKP-LKJUBWIJSA-N 2 1 300.446 2.621 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000662150308 430980513 /nfs/dbraw/zinc/98/05/13/430980513.db2.gz USILXXJXYCQFKP-RRGNZLCHSA-N 2 1 300.446 2.621 20 0 DFADMP CC[C@H](c1ccc(F)cc1F)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152505 430980859 /nfs/dbraw/zinc/98/08/59/430980859.db2.gz GQUTXIHYGGUQOT-CRAIPNDOSA-N 2 1 324.415 2.947 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000652222008 430991467 /nfs/dbraw/zinc/99/14/67/430991467.db2.gz CJZLAQNIRQGTCQ-MRXNPFEDSA-N 2 1 315.465 2.896 20 0 DFADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249019 431012067 /nfs/dbraw/zinc/01/20/67/431012067.db2.gz NJVKTWBJWXJDPF-HIFRSBDPSA-N 2 1 300.402 2.947 20 0 DFADMP C[C@@H]1C[C@H](N[C@H](Cc2ccccc2)c2nccn2C)CC[N@H+]1C ZINC000652274853 431007957 /nfs/dbraw/zinc/00/79/57/431007957.db2.gz XJGXTPNYDTULBO-KBAYOESNSA-N 2 1 312.461 2.776 20 0 DFADMP CC[C@H](c1ccccc1)[N@@H+](CC(=O)N1CCN(C)CC1)C(C)C ZINC000662107850 430963535 /nfs/dbraw/zinc/96/35/35/430963535.db2.gz ILMQYSABZLOPAK-GOSISDBHSA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000652143221 430970619 /nfs/dbraw/zinc/97/06/19/430970619.db2.gz SJGFMHCAPTUYHQ-ROUUACIJSA-N 2 1 308.441 2.959 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257897 431019826 /nfs/dbraw/zinc/01/98/26/431019826.db2.gz SUFACQAURJPHBK-QZTJIDSGSA-N 2 1 320.452 2.846 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]2CN2CCCCC2)c2c(c1)C[NH2+]CC2 ZINC000662259898 431019879 /nfs/dbraw/zinc/01/98/79/431019879.db2.gz DJHBIBOOODKFND-LJQANCHMSA-N 2 1 313.489 2.783 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]2CN2CCCCC2)c2c(c1)C[NH2+]CC2 ZINC000662259898 431019881 /nfs/dbraw/zinc/01/98/81/431019881.db2.gz DJHBIBOOODKFND-LJQANCHMSA-N 2 1 313.489 2.783 20 0 DFADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662266131 431022792 /nfs/dbraw/zinc/02/27/92/431022792.db2.gz XXLIXFQPPNXPRN-QGZVFWFLSA-N 2 1 313.489 2.640 20 0 DFADMP c1cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662266131 431022797 /nfs/dbraw/zinc/02/27/97/431022797.db2.gz XXLIXFQPPNXPRN-QGZVFWFLSA-N 2 1 313.489 2.640 20 0 DFADMP C[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)[C@H]1CCC[NH2+]CC1 ZINC000662267344 431025537 /nfs/dbraw/zinc/02/55/37/431025537.db2.gz UFTKXIGUFHINJH-ZDUSSCGKSA-N 2 1 312.360 2.625 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000652345899 431026096 /nfs/dbraw/zinc/02/60/96/431026096.db2.gz ONUVWPDNCPVXHW-GUDVDZBRSA-N 2 1 302.462 2.838 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCc3cccc(F)c3)C2)C1 ZINC000652349470 431028244 /nfs/dbraw/zinc/02/82/44/431028244.db2.gz PHLBVHNNUYXTQE-QXAKKESOSA-N 2 1 320.452 2.977 20 0 DFADMP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354419 431030110 /nfs/dbraw/zinc/03/01/10/431030110.db2.gz XUBHXGNFIKUIDV-CZUORRHYSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354419 431030115 /nfs/dbraw/zinc/03/01/15/431030115.db2.gz XUBHXGNFIKUIDV-CZUORRHYSA-N 2 1 321.490 2.796 20 0 DFADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278278 431030891 /nfs/dbraw/zinc/03/08/91/431030891.db2.gz DPJVIZXFDMVZFC-JSGCOSHPSA-N 2 1 321.490 2.536 20 0 DFADMP Cc1cnc(CC[N@H+](C)Cc2cccc3c2CC[NH2+]C3)s1 ZINC000662279648 431032884 /nfs/dbraw/zinc/03/28/84/431032884.db2.gz WLXOZEUBJOMWLV-UHFFFAOYSA-N 2 1 301.459 2.772 20 0 DFADMP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)O2)cc1 ZINC000652364264 431032927 /nfs/dbraw/zinc/03/29/27/431032927.db2.gz BUOBUQJGFKPILF-WNHJNPCNSA-N 2 1 300.446 2.981 20 0 DFADMP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]C1(CO)CC[NH2+]CC1 ZINC000662286298 431035307 /nfs/dbraw/zinc/03/53/07/431035307.db2.gz QJWDPSKNDRZNCC-UHFFFAOYSA-N 2 1 304.478 2.805 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000662389515 431069572 /nfs/dbraw/zinc/06/95/72/431069572.db2.gz YGLGJKUAPAISBB-QAPCUYQASA-N 2 1 317.477 2.675 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662296480 431038155 /nfs/dbraw/zinc/03/81/55/431038155.db2.gz KZKUEMLBRPGQNV-KRWDZBQOSA-N 2 1 318.461 2.786 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NC2CCCCCC2)[C@@H]1CCC[NH3+] ZINC000662312981 431041218 /nfs/dbraw/zinc/04/12/18/431041218.db2.gz DMSJJSIVWVRTEQ-NVXWUHKLSA-N 2 1 309.498 2.665 20 0 DFADMP CN(CCc1ccccc1)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662307562 431042293 /nfs/dbraw/zinc/04/22/93/431042293.db2.gz XKUXCELMKDIIIV-PMACEKPBSA-N 2 1 315.505 2.625 20 0 DFADMP CCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1ccccc1 ZINC000662313462 431044103 /nfs/dbraw/zinc/04/41/03/431044103.db2.gz QCUOMMRMGRETEK-SJLPKXTDSA-N 2 1 317.477 2.879 20 0 DFADMP COc1cccc(CCC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662320117 431046055 /nfs/dbraw/zinc/04/60/55/431046055.db2.gz PYNSYNFCZWWZQE-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cnc3ccccc3c2)CCO1 ZINC000662324880 431047902 /nfs/dbraw/zinc/04/79/02/431047902.db2.gz ZTFABVNJOUNQFJ-SFHVURJKSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCO1 ZINC000662324880 431047907 /nfs/dbraw/zinc/04/79/07/431047907.db2.gz ZTFABVNJOUNQFJ-SFHVURJKSA-N 2 1 313.445 2.777 20 0 DFADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CC1(C)C ZINC000662343490 431053816 /nfs/dbraw/zinc/05/38/16/431053816.db2.gz KALOUUGZYBVMBQ-SFHVURJKSA-N 2 1 302.462 2.997 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CC1(C)C ZINC000662343490 431053822 /nfs/dbraw/zinc/05/38/22/431053822.db2.gz KALOUUGZYBVMBQ-SFHVURJKSA-N 2 1 302.462 2.997 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649280908 431054620 /nfs/dbraw/zinc/05/46/20/431054620.db2.gz UBCPNODBSYBIHL-CJNGLKHVSA-N 2 1 323.868 2.721 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCCC[NH2+]2)c1 ZINC000649306871 431061928 /nfs/dbraw/zinc/06/19/28/431061928.db2.gz VTCCJFIEKMVQHT-SFHVURJKSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649311339 431063134 /nfs/dbraw/zinc/06/31/34/431063134.db2.gz IWMCCJDODVHXBF-JKSUJKDBSA-N 2 1 309.498 2.617 20 0 DFADMP CC(C)([NH3+])CCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000649312867 431064364 /nfs/dbraw/zinc/06/43/64/431064364.db2.gz FQEVGSCPUOEFGM-UHFFFAOYSA-N 2 1 321.490 2.691 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000662386462 431068469 /nfs/dbraw/zinc/06/84/69/431068469.db2.gz AJMSONACXSZWDM-QAPCUYQASA-N 2 1 317.477 2.533 20 0 DFADMP C[N@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1COc2ccccc2O1 ZINC000662249651 431013665 /nfs/dbraw/zinc/01/36/65/431013665.db2.gz RKUSGIGKXSXBEG-KRWDZBQOSA-N 2 1 324.424 2.604 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000652300575 431013772 /nfs/dbraw/zinc/01/37/72/431013772.db2.gz HBIJYNNXSVQCBM-MANSERQUSA-N 2 1 320.452 2.740 20 0 DFADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248688 431013931 /nfs/dbraw/zinc/01/39/31/431013931.db2.gz ASMRLFMRGNKRCI-AWEZNQCLSA-N 2 1 314.351 2.658 20 0 DFADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H](CCO)c1ccccc1 ZINC000662254749 431014721 /nfs/dbraw/zinc/01/47/21/431014721.db2.gz KYQBSLVLLMBBNE-HXUWFJFHSA-N 2 1 310.441 2.888 20 0 DFADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccccc1 ZINC000662254980 431014875 /nfs/dbraw/zinc/01/48/75/431014875.db2.gz NDDBVYOZPUSBGL-XIRDDKMYSA-N 2 1 318.486 2.686 20 0 DFADMP Clc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251137 431015638 /nfs/dbraw/zinc/01/56/38/431015638.db2.gz ZVFMXXXNLQINFA-HOTGVXAUSA-N 2 1 306.837 2.998 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1cccc(F)c1 ZINC000662256245 431018556 /nfs/dbraw/zinc/01/85/56/431018556.db2.gz HQQSCZHHDJIFFB-XYPHTWIQSA-N 2 1 304.409 2.730 20 0 DFADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662256230 431018994 /nfs/dbraw/zinc/01/89/94/431018994.db2.gz JOJUBPZCXDXKNX-FUHWJXTLSA-N 2 1 300.446 2.961 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460625 431108630 /nfs/dbraw/zinc/10/86/30/431108630.db2.gz DEVDJMVETWPBEU-RYRKJORJSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000649460625 431108634 /nfs/dbraw/zinc/10/86/34/431108634.db2.gz DEVDJMVETWPBEU-RYRKJORJSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000649460625 431108637 /nfs/dbraw/zinc/10/86/37/431108637.db2.gz DEVDJMVETWPBEU-RYRKJORJSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000666086458 431110889 /nfs/dbraw/zinc/11/08/89/431110889.db2.gz SJXIXDWYOLCPAW-AEFFLSMTSA-N 2 1 312.461 2.983 20 0 DFADMP COC1CCC(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655753946 431115871 /nfs/dbraw/zinc/11/58/71/431115871.db2.gz GNXGNVGGDJLPNG-NKELODKYSA-N 2 1 324.509 2.815 20 0 DFADMP CC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655754525 431115966 /nfs/dbraw/zinc/11/59/66/431115966.db2.gz AIZRFJMATQKUBP-TZMCWYRMSA-N 2 1 308.388 2.950 20 0 DFADMP Clc1cc(C[NH2+]CCC[NH+]2CCC2)cc2c1OCCCO2 ZINC000655754542 431116514 /nfs/dbraw/zinc/11/65/14/431116514.db2.gz CIIWJXDRJOAUIW-UHFFFAOYSA-N 2 1 310.825 2.687 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649343945 431071036 /nfs/dbraw/zinc/07/10/36/431071036.db2.gz HSMWAZQETHCXEE-CZUORRHYSA-N 2 1 323.868 2.530 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649343943 431071085 /nfs/dbraw/zinc/07/10/85/431071085.db2.gz HSMWAZQETHCXEE-BBRMVZONSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC(C)(C)[NH3+])CC1 ZINC000649378699 431081285 /nfs/dbraw/zinc/08/12/85/431081285.db2.gz XKQGOVIKUUMPRA-OAHLLOKOSA-N 2 1 309.498 2.617 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC000649382130 431083290 /nfs/dbraw/zinc/08/32/90/431083290.db2.gz MWFYXIPMGBPCMZ-GOSISDBHSA-N 2 1 321.896 2.594 20 0 DFADMP Clc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655692291 431085266 /nfs/dbraw/zinc/08/52/66/431085266.db2.gz SRWQLVKPHQLXDX-QGZVFWFLSA-N 2 1 308.853 2.725 20 0 DFADMP Cc1ccccc1OCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655700990 431089586 /nfs/dbraw/zinc/08/95/86/431089586.db2.gz NTHQHFBPRZIRNO-GOSISDBHSA-N 2 1 318.461 2.607 20 0 DFADMP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655700724 431090214 /nfs/dbraw/zinc/09/02/14/431090214.db2.gz OCTKKXGEBIEYRT-IBGZPJMESA-N 2 1 302.462 2.689 20 0 DFADMP c1ccc2c(c1)C[C@@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655708380 431091938 /nfs/dbraw/zinc/09/19/38/431091938.db2.gz ILGVOZNOHZVDDP-SJLPKXTDSA-N 2 1 300.446 2.559 20 0 DFADMP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000649411855 431092957 /nfs/dbraw/zinc/09/29/57/431092957.db2.gz JYBXDDNGRYZOPN-SCTDSRPQSA-N 2 1 301.478 2.753 20 0 DFADMP Cc1ccccc1OCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655710626 431093858 /nfs/dbraw/zinc/09/38/58/431093858.db2.gz CACFWNSCUJYSRQ-GOSISDBHSA-N 2 1 318.461 2.607 20 0 DFADMP CCCN(C[C@@H]1CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649411911 431093924 /nfs/dbraw/zinc/09/39/24/431093924.db2.gz TVEYAQWXLWDVJN-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649411911 431093926 /nfs/dbraw/zinc/09/39/26/431093926.db2.gz TVEYAQWXLWDVJN-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000649411911 431093929 /nfs/dbraw/zinc/09/39/29/431093929.db2.gz TVEYAQWXLWDVJN-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP Cc1cc(C)n([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649413130 431094186 /nfs/dbraw/zinc/09/41/86/431094186.db2.gz MTRMDMUQJWBVJO-GOSISDBHSA-N 2 1 304.482 2.917 20 0 DFADMP Oc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655714341 431094319 /nfs/dbraw/zinc/09/43/19/431094319.db2.gz AYMXDUHYPPWPLB-MAUKXSAKSA-N 2 1 316.445 2.613 20 0 DFADMP Fc1cccc(CCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655712481 431094581 /nfs/dbraw/zinc/09/45/81/431094581.db2.gz RTGPVWWJFLRRAW-SFHVURJKSA-N 2 1 306.425 2.601 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000662592678 431125823 /nfs/dbraw/zinc/12/58/23/431125823.db2.gz JNIGIMDLLGNMGJ-OWCLPIDISA-N 2 1 309.498 2.521 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655715887 431095518 /nfs/dbraw/zinc/09/55/18/431095518.db2.gz JGXCGTQXOHUSGI-KSSFIOAISA-N 2 1 306.425 2.772 20 0 DFADMP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655717054 431096847 /nfs/dbraw/zinc/09/68/47/431096847.db2.gz TVJSJNUSJWNHCQ-HNAYVOBHSA-N 2 1 318.461 2.556 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@H](C)SC2)CC1 ZINC000655717930 431096963 /nfs/dbraw/zinc/09/69/63/431096963.db2.gz GBYLFABVQLYKHI-HOCLYGCPSA-N 2 1 300.512 2.750 20 0 DFADMP c1ccc2c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccnc2c1 ZINC000655718260 431097287 /nfs/dbraw/zinc/09/72/87/431097287.db2.gz HQIABHYHVAHRPA-KRWDZBQOSA-N 2 1 311.429 2.578 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NCCC[N@@H+](C)CC(C)C ZINC000652609883 431099114 /nfs/dbraw/zinc/09/91/14/431099114.db2.gz CYQGDKHDFXZLAY-UHFFFAOYSA-N 2 1 306.454 2.505 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655723985 431101994 /nfs/dbraw/zinc/10/19/94/431101994.db2.gz KGKMYTMHIDZGOR-VQIMIIECSA-N 2 1 302.462 2.941 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CC1)C1CCCCC1 ZINC000652756866 431126127 /nfs/dbraw/zinc/12/61/27/431126127.db2.gz WXNWFQPMIOQXHQ-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1)C1CCCCC1 ZINC000652756866 431126135 /nfs/dbraw/zinc/12/61/35/431126135.db2.gz WXNWFQPMIOQXHQ-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+](CCCNC(=O)[C@H]1CCC[N@H+]1C1CC1)C1CCCCC1 ZINC000652756866 431126144 /nfs/dbraw/zinc/12/61/44/431126144.db2.gz WXNWFQPMIOQXHQ-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645895055 431104218 /nfs/dbraw/zinc/10/42/18/431104218.db2.gz URYPBTCPXLAZNK-HKUYNNGSSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645895055 431104223 /nfs/dbraw/zinc/10/42/23/431104223.db2.gz URYPBTCPXLAZNK-HKUYNNGSSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645895055 431104228 /nfs/dbraw/zinc/10/42/28/431104228.db2.gz URYPBTCPXLAZNK-HKUYNNGSSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645895055 431104236 /nfs/dbraw/zinc/10/42/36/431104236.db2.gz URYPBTCPXLAZNK-HKUYNNGSSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645895055 431104239 /nfs/dbraw/zinc/10/42/39/431104239.db2.gz URYPBTCPXLAZNK-HKUYNNGSSA-N 2 1 317.477 2.652 20 0 DFADMP FC1(F)CCC[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655734293 431104836 /nfs/dbraw/zinc/10/48/36/431104836.db2.gz DTLKQKRUJLQTHV-LSDHHAIUSA-N 2 1 302.409 2.797 20 0 DFADMP c1ccc(C[C@@H]2C[C@@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655731270 431106081 /nfs/dbraw/zinc/10/60/81/431106081.db2.gz WGFXRVYJJXYNGJ-RLLQIKCJSA-N 2 1 314.473 2.851 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1 ZINC000655731123 431106255 /nfs/dbraw/zinc/10/62/55/431106255.db2.gz VEZQVGXNNFOBEW-QFBILLFUSA-N 2 1 318.461 2.687 20 0 DFADMP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655734290 431106422 /nfs/dbraw/zinc/10/64/22/431106422.db2.gz DTLKQKRUJLQTHV-CABCVRRESA-N 2 1 302.409 2.797 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460624 431107968 /nfs/dbraw/zinc/10/79/68/431107968.db2.gz DEVDJMVETWPBEU-NUJGCVRESA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000649460624 431107972 /nfs/dbraw/zinc/10/79/72/431107972.db2.gz DEVDJMVETWPBEU-NUJGCVRESA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000649460624 431107975 /nfs/dbraw/zinc/10/79/75/431107975.db2.gz DEVDJMVETWPBEU-NUJGCVRESA-N 2 1 313.445 2.542 20 0 DFADMP COCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000655770045 431129357 /nfs/dbraw/zinc/12/93/57/431129357.db2.gz WTPVEWGHGBPSDC-SFHVURJKSA-N 2 1 324.509 2.816 20 0 DFADMP c1ccc2c(c1)SC[C@H]2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771372 431129859 /nfs/dbraw/zinc/12/98/59/431129859.db2.gz JEUFEGKKTPKGJJ-ZBFHGGJFSA-N 2 1 318.486 2.719 20 0 DFADMP FC(F)(F)C1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655767604 431128270 /nfs/dbraw/zinc/12/82/70/431128270.db2.gz XSHFWQJIICOOBA-CYBMUJFWSA-N 2 1 306.372 2.562 20 0 DFADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655779030 431134550 /nfs/dbraw/zinc/13/45/50/431134550.db2.gz AEMZWMNWDGLMBL-ZACQAIPSSA-N 2 1 310.482 2.566 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120696941 288106505 /nfs/dbraw/zinc/10/65/05/288106505.db2.gz QYYAUMOBJUNJOP-PBFPGSCMSA-N 2 1 322.424 2.553 20 0 DFADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(F)(F)F ZINC000655776199 431133585 /nfs/dbraw/zinc/13/35/85/431133585.db2.gz JROLSMUBPPLECV-OCCSQVGLSA-N 2 1 308.388 2.808 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000359388549 279165326 /nfs/dbraw/zinc/16/53/26/279165326.db2.gz ZSASUATUWNNQSX-BHIYHBOVSA-N 2 1 303.494 2.999 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000104145391 279266954 /nfs/dbraw/zinc/26/69/54/279266954.db2.gz TXJSLPRYNXDJIK-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000104145391 279266955 /nfs/dbraw/zinc/26/69/55/279266955.db2.gz TXJSLPRYNXDJIK-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000104145391 279266956 /nfs/dbraw/zinc/26/69/56/279266956.db2.gz TXJSLPRYNXDJIK-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000297527047 279283595 /nfs/dbraw/zinc/28/35/95/279283595.db2.gz XHVHSIGCUZSQRK-MRXNPFEDSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263370710 279322935 /nfs/dbraw/zinc/32/29/35/279322935.db2.gz XZAMSJKPMYJAIV-HPFXQQBRSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000274928849 279348430 /nfs/dbraw/zinc/34/84/30/279348430.db2.gz QNICHMBJEQLARC-ZIFCJYIRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000274928849 279348431 /nfs/dbraw/zinc/34/84/31/279348431.db2.gz QNICHMBJEQLARC-ZIFCJYIRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000274928849 279348434 /nfs/dbraw/zinc/34/84/34/279348434.db2.gz QNICHMBJEQLARC-ZIFCJYIRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928849 279348435 /nfs/dbraw/zinc/34/84/35/279348435.db2.gz QNICHMBJEQLARC-ZIFCJYIRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928849 279348437 /nfs/dbraw/zinc/34/84/37/279348437.db2.gz QNICHMBJEQLARC-ZIFCJYIRSA-N 2 1 315.505 2.969 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000293458455 279354797 /nfs/dbraw/zinc/35/47/97/279354797.db2.gz PYHXNPSOBAWGTP-HNNXBMFYSA-N 2 1 305.466 2.769 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000293458455 279354800 /nfs/dbraw/zinc/35/48/00/279354800.db2.gz PYHXNPSOBAWGTP-HNNXBMFYSA-N 2 1 305.466 2.769 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662683558 431162859 /nfs/dbraw/zinc/16/28/59/431162859.db2.gz PFSNQBLWQAGJEC-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP COCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000655816625 431165888 /nfs/dbraw/zinc/16/58/88/431165888.db2.gz BIARTQKRFXHFKD-UHFFFAOYSA-N 2 1 320.452 2.849 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659901162 431181399 /nfs/dbraw/zinc/18/13/99/431181399.db2.gz UGTWBHGFUDDEES-SOLBZPMBSA-N 2 1 304.482 2.806 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659901162 431181402 /nfs/dbraw/zinc/18/14/02/431181402.db2.gz UGTWBHGFUDDEES-SOLBZPMBSA-N 2 1 304.482 2.806 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000659902775 431181410 /nfs/dbraw/zinc/18/14/10/431181410.db2.gz BUUHOWTXCMHLPN-RBUKOAKNSA-N 2 1 304.478 2.642 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)c1 ZINC000659906753 431182781 /nfs/dbraw/zinc/18/27/81/431182781.db2.gz PGJIEYTVKVZAIJ-ZIAGYGMSSA-N 2 1 311.376 2.548 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3CCC[C@@H](O)C3)C2)c1 ZINC000659906235 431182984 /nfs/dbraw/zinc/18/29/84/431182984.db2.gz HASQNAJKNXPVBX-YESZJQIVSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3CCC[C@@H](O)C3)C2)c1 ZINC000659906235 431182992 /nfs/dbraw/zinc/18/29/92/431182992.db2.gz HASQNAJKNXPVBX-YESZJQIVSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3CCC[C@@H](O)C3)C2)c1 ZINC000659906233 431183085 /nfs/dbraw/zinc/18/30/85/431183085.db2.gz HASQNAJKNXPVBX-IXDOHACOSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC[C@@H](O)C3)C2)c1 ZINC000659906233 431183092 /nfs/dbraw/zinc/18/30/92/431183092.db2.gz HASQNAJKNXPVBX-IXDOHACOSA-N 2 1 303.450 2.675 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662745331 431183143 /nfs/dbraw/zinc/18/31/43/431183143.db2.gz LYWSZXABKNICOU-SJLPKXTDSA-N 2 1 315.461 2.554 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CCC1 ZINC000659944100 431201748 /nfs/dbraw/zinc/20/17/48/431201748.db2.gz QFJINDGQTAKCJJ-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CCC1 ZINC000659944100 431201756 /nfs/dbraw/zinc/20/17/56/431201756.db2.gz QFJINDGQTAKCJJ-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP CCCc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103709 431186915 /nfs/dbraw/zinc/18/69/15/431186915.db2.gz MADRGDWJUJXABV-UHFFFAOYSA-N 2 1 302.462 2.936 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000659939891 431200094 /nfs/dbraw/zinc/20/00/94/431200094.db2.gz KOWVXGRLDHXGQX-LESCRADOSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000659939891 431200102 /nfs/dbraw/zinc/20/01/02/431200102.db2.gz KOWVXGRLDHXGQX-LESCRADOSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000659939891 431200108 /nfs/dbraw/zinc/20/01/08/431200108.db2.gz KOWVXGRLDHXGQX-LESCRADOSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@@H]1C ZINC000659939891 431200116 /nfs/dbraw/zinc/20/01/16/431200116.db2.gz KOWVXGRLDHXGQX-LESCRADOSA-N 2 1 308.441 2.705 20 0 DFADMP Cc1occc1C[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000666211985 431152920 /nfs/dbraw/zinc/15/29/20/431152920.db2.gz BHMPHCRLFKHOBV-MRXNPFEDSA-N 2 1 319.474 2.728 20 0 DFADMP CCCN(Cc1ccc(OC)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659858125 431154208 /nfs/dbraw/zinc/15/42/08/431154208.db2.gz BVRDINNUCSLWEU-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@H+](C)C(C)C ZINC000659858125 431154234 /nfs/dbraw/zinc/15/42/34/431154234.db2.gz BVRDINNUCSLWEU-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCC[NH+](Cc1ccc(OC)cc1)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659858125 431154243 /nfs/dbraw/zinc/15/42/43/431154243.db2.gz BVRDINNUCSLWEU-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662669460 431156523 /nfs/dbraw/zinc/15/65/23/431156523.db2.gz ZNFKQPAGONGTHO-WBVHZDCISA-N 2 1 321.509 2.535 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662676170 431160311 /nfs/dbraw/zinc/16/03/11/431160311.db2.gz SPPPUAUNZFDQON-OAHLLOKOSA-N 2 1 315.461 2.559 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)c2O1 ZINC000666359945 431204164 /nfs/dbraw/zinc/20/41/64/431204164.db2.gz YWENCHCEZXBPCC-NSHDSACASA-N 2 1 321.327 2.557 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(CC[NH+]1C[C@H](C)C[C@@H](C)C1)CC2 ZINC000659975186 431216526 /nfs/dbraw/zinc/21/65/26/431216526.db2.gz VNDUEIHLYFENAM-MKXGPGLRSA-N 2 1 307.526 2.911 20 0 DFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCOCc2ccccc2)C1 ZINC000659978918 431220689 /nfs/dbraw/zinc/22/06/89/431220689.db2.gz QADRVXZPMXAXGH-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCOCc2ccccc2)C1 ZINC000659978918 431220696 /nfs/dbraw/zinc/22/06/96/431220696.db2.gz QADRVXZPMXAXGH-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCOCc2ccccc2)C1 ZINC000659978918 431220701 /nfs/dbraw/zinc/22/07/01/431220701.db2.gz QADRVXZPMXAXGH-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCOCc2ccccc2)C1 ZINC000659978918 431220704 /nfs/dbraw/zinc/22/07/04/431220704.db2.gz QADRVXZPMXAXGH-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@H]1C[C@@H](CCNC(=O)CC(C)(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000646264404 431247905 /nfs/dbraw/zinc/24/79/05/431247905.db2.gz ZVIDXBDHANKCLV-DOTOQJQBSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1N(C)C ZINC000369443731 279549724 /nfs/dbraw/zinc/54/97/24/279549724.db2.gz QRBYHMGFLASVAP-JSGCOSHPSA-N 2 1 302.397 2.754 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000660118797 431276519 /nfs/dbraw/zinc/27/65/19/431276519.db2.gz WYVUVLXXNLUJDP-LXTVHRRPSA-N 2 1 304.425 2.851 20 0 DFADMP C[N@H+]1CC=C(CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656154512 431288329 /nfs/dbraw/zinc/28/83/29/431288329.db2.gz MLWVMGOBWFWYCM-UHFFFAOYSA-N 2 1 315.465 2.777 20 0 DFADMP C[N@@H+]1CC=C(CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656154512 431288334 /nfs/dbraw/zinc/28/83/34/431288334.db2.gz MLWVMGOBWFWYCM-UHFFFAOYSA-N 2 1 315.465 2.777 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2CCO[C@H](C)C2)CC1 ZINC000660158708 431292853 /nfs/dbraw/zinc/29/28/53/431292853.db2.gz OYGCWMLASXNAHR-SJLPKXTDSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000660152595 431295487 /nfs/dbraw/zinc/29/54/87/431295487.db2.gz AUCKSFQVSBQQIR-OAGGEKHMSA-N 2 1 317.468 2.626 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H]2COC(C)(C)C2)CC1 ZINC000660159150 431296951 /nfs/dbraw/zinc/29/69/51/431296951.db2.gz QWKBZDKAVUMGDF-QGZVFWFLSA-N 2 1 312.498 2.624 20 0 DFADMP CC[N@@H+](CCCNC(=O)CC1CC[NH2+]CC1)C1CCCCC1 ZINC000653200754 431306785 /nfs/dbraw/zinc/30/67/85/431306785.db2.gz OVZKUEDVMCAUDS-UHFFFAOYSA-N 2 1 309.498 2.537 20 0 DFADMP Cc1c2cccc(C)c2oc1C[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000649819856 431309570 /nfs/dbraw/zinc/30/95/70/431309570.db2.gz IQIMQQLKFIXURY-INIZCTEOSA-N 2 1 316.445 2.937 20 0 DFADMP Cc1c2cccc(C)c2oc1C[N@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000649819856 431309577 /nfs/dbraw/zinc/30/95/77/431309577.db2.gz IQIMQQLKFIXURY-INIZCTEOSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746569 431270059 /nfs/dbraw/zinc/27/00/59/431270059.db2.gz CKNOHMRPTLGDCC-CXAGYDPISA-N 2 1 322.880 2.757 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H](O)CN(C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746569 431270062 /nfs/dbraw/zinc/27/00/62/431270062.db2.gz CKNOHMRPTLGDCC-CXAGYDPISA-N 2 1 322.880 2.757 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746569 431270068 /nfs/dbraw/zinc/27/00/68/431270068.db2.gz CKNOHMRPTLGDCC-CXAGYDPISA-N 2 1 322.880 2.757 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653119520 431270314 /nfs/dbraw/zinc/27/03/14/431270314.db2.gz MNCJMUZOBAOYOA-DJIMGWMZSA-N 2 1 321.509 2.534 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](NCc2nc(C)oc2C)[C@@H](C)C1 ZINC000660303944 431368036 /nfs/dbraw/zinc/36/80/36/431368036.db2.gz AAXNZCHNSPHSKO-BBRMVZONSA-N 2 1 309.454 2.518 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666753622 431346705 /nfs/dbraw/zinc/34/67/05/431346705.db2.gz FRQKGVNOUCLPCC-UHFFFAOYSA-N 3 1 319.493 2.768 20 0 DFADMP Cc1nn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c(C(C)C)nc2s1 ZINC000666762212 431347784 /nfs/dbraw/zinc/34/77/84/431347784.db2.gz ZNIBFGLILNXFMD-FUNVUKJBSA-N 2 1 319.478 2.595 20 0 DFADMP C[C@@H]1C[N@@H+](CCCCCC[NH+]2CCCO[C@@H](C)C2)CCCO1 ZINC000170933241 288158065 /nfs/dbraw/zinc/15/80/65/288158065.db2.gz SFDKDILCUGDCFW-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000663347669 431374963 /nfs/dbraw/zinc/37/49/63/431374963.db2.gz RSCYDLGODOJJLZ-MRXNPFEDSA-N 2 1 304.434 2.612 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000663347669 431374974 /nfs/dbraw/zinc/37/49/74/431374974.db2.gz RSCYDLGODOJJLZ-MRXNPFEDSA-N 2 1 304.434 2.612 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000663345379 431377916 /nfs/dbraw/zinc/37/79/16/431377916.db2.gz JFXJVCPTROJHII-KRWDZBQOSA-N 2 1 317.477 2.919 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000646735605 431382400 /nfs/dbraw/zinc/38/24/00/431382400.db2.gz HBEKQFICIBMEMV-HNNXBMFYSA-N 2 1 323.440 2.791 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H]3COC(C)(C)C3)C1)CCCC2 ZINC000660338216 431385822 /nfs/dbraw/zinc/38/58/22/431385822.db2.gz FZPJNLXDAQRODK-LSDHHAIUSA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H]3COC(C)(C)C3)C1)CCCC2 ZINC000660338216 431385828 /nfs/dbraw/zinc/38/58/28/431385828.db2.gz FZPJNLXDAQRODK-LSDHHAIUSA-N 2 1 303.450 2.885 20 0 DFADMP CC[C@@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000646754452 431386367 /nfs/dbraw/zinc/38/63/67/431386367.db2.gz LEAJDIFLOJUZEQ-GOSISDBHSA-N 2 1 323.525 2.734 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(NC[C@H]3CCC[NH2+]C3)n2)C1 ZINC000653472155 431391002 /nfs/dbraw/zinc/39/10/02/431391002.db2.gz HKQHNVNBFJAISJ-AWEZNQCLSA-N 2 1 303.454 2.515 20 0 DFADMP C[N@@H+](Cc1cnc2ccccc2n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000660348607 431391948 /nfs/dbraw/zinc/39/19/48/431391948.db2.gz RSNVNNNIYGUBKF-CQSZACIVSA-N 2 1 307.401 2.521 20 0 DFADMP C[N@H+](Cc1cnc2ccccc2n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000660348607 431391955 /nfs/dbraw/zinc/39/19/55/431391955.db2.gz RSNVNNNIYGUBKF-CQSZACIVSA-N 2 1 307.401 2.521 20 0 DFADMP CC(C)(C)[C@H]([NH3+])c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455337 431392405 /nfs/dbraw/zinc/39/24/05/431392405.db2.gz DKFKHKZQFAHVOR-DOTOQJQBSA-N 2 1 313.449 2.771 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[NH2+]1 ZINC000666872575 431393515 /nfs/dbraw/zinc/39/35/15/431393515.db2.gz YPURNFXPAXGGLL-CZUORRHYSA-N 2 1 318.852 2.815 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@@H]3CC[C@H](C[NH3+])C3)n2)C1 ZINC000653472288 431393775 /nfs/dbraw/zinc/39/37/75/431393775.db2.gz LGBNTVNHVYFMBR-UONOGXRCSA-N 2 1 303.454 2.642 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@H]3CC[C@H](C[NH3+])C3)n2)C1 ZINC000653472286 431393922 /nfs/dbraw/zinc/39/39/22/431393922.db2.gz LGBNTVNHVYFMBR-KBPBESRZSA-N 2 1 303.454 2.642 20 0 DFADMP CCC[C@@H]([NH3+])c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656469011 431398039 /nfs/dbraw/zinc/39/80/39/431398039.db2.gz YMMOTPFXSLXTMK-IAGOWNOFSA-N 2 1 313.449 2.600 20 0 DFADMP C[C@@H]1C[NH+](CCCCCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000170933241 288158059 /nfs/dbraw/zinc/15/80/59/288158059.db2.gz SFDKDILCUGDCFW-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP C[C@@H]1C[N@H+](CCCCCC[NH+]2CCCO[C@@H](C)C2)CCCO1 ZINC000170933241 288158062 /nfs/dbraw/zinc/15/80/62/288158062.db2.gz SFDKDILCUGDCFW-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)c2O1 ZINC000666993791 431437939 /nfs/dbraw/zinc/43/79/39/431437939.db2.gz JZNCVQRTSVLDHF-LBPRGKRZSA-N 2 1 310.344 2.772 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474689 431438561 /nfs/dbraw/zinc/43/85/61/431438561.db2.gz PGYNGEGSSVQHRY-SMDDNHRTSA-N 2 1 301.356 2.920 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474689 431438570 /nfs/dbraw/zinc/43/85/70/431438570.db2.gz PGYNGEGSSVQHRY-SMDDNHRTSA-N 2 1 301.356 2.920 20 0 DFADMP Cc1ncc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)n1-c1ccccc1 ZINC000666996812 431439009 /nfs/dbraw/zinc/43/90/09/431439009.db2.gz GUFFNTYOGAJFBS-INIZCTEOSA-N 2 1 310.445 2.945 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000653569352 431441864 /nfs/dbraw/zinc/44/18/64/431441864.db2.gz NBUURNRNSWRENN-UHFFFAOYSA-N 2 1 311.429 2.874 20 0 DFADMP COc1ccc(Br)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663500732 431445119 /nfs/dbraw/zinc/44/51/19/431445119.db2.gz UWSLQPROGFKGCJ-CQSZACIVSA-N 2 1 315.255 2.921 20 0 DFADMP CC(C)(C)OCCCC[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000660477380 431450873 /nfs/dbraw/zinc/45/08/73/431450873.db2.gz GZCGLENAOLQWGC-QGZVFWFLSA-N 2 1 312.498 2.768 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000653665159 431480732 /nfs/dbraw/zinc/48/07/32/431480732.db2.gz WGYAKBVLWIKAFA-SFHVURJKSA-N 2 1 317.433 2.729 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000650179212 431476969 /nfs/dbraw/zinc/47/69/69/431476969.db2.gz ZHTUGNMVSWIHOV-KRWDZBQOSA-N 2 1 319.493 2.601 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000650179212 431476973 /nfs/dbraw/zinc/47/69/73/431476973.db2.gz ZHTUGNMVSWIHOV-KRWDZBQOSA-N 2 1 319.493 2.601 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000650179212 431476978 /nfs/dbraw/zinc/47/69/78/431476978.db2.gz ZHTUGNMVSWIHOV-KRWDZBQOSA-N 2 1 319.493 2.601 20 0 DFADMP FCCOCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663463282 431427639 /nfs/dbraw/zinc/42/76/39/431427639.db2.gz ZDCLKNHOVDOBIA-BCDXTJNWSA-N 2 1 306.425 2.758 20 0 DFADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466567 431430557 /nfs/dbraw/zinc/43/05/57/431430557.db2.gz VOGKQFWNUUDEIT-ZWKOTPCHSA-N 2 1 304.482 2.619 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663465976 431430801 /nfs/dbraw/zinc/43/08/01/431430801.db2.gz MMKMZCRNDAQIEQ-CRAIPNDOSA-N 2 1 317.477 2.733 20 0 DFADMP CC(C)(C)[C@@H](CN)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666981168 431431193 /nfs/dbraw/zinc/43/11/93/431431193.db2.gz SMFXWXMMOVIHQR-GOSISDBHSA-N 2 1 319.493 2.624 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666981168 431431199 /nfs/dbraw/zinc/43/11/99/431431199.db2.gz SMFXWXMMOVIHQR-GOSISDBHSA-N 3 1 319.493 2.624 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653554399 431431501 /nfs/dbraw/zinc/43/15/01/431431501.db2.gz BGHKCSNWALXCEV-GOSISDBHSA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)(C)[NH+]1CCC(NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663470559 431434979 /nfs/dbraw/zinc/43/49/79/431434979.db2.gz VEVNKESTHQXJQE-KRWDZBQOSA-N 2 1 307.526 2.961 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663470559 431434986 /nfs/dbraw/zinc/43/49/86/431434986.db2.gz VEVNKESTHQXJQE-KRWDZBQOSA-N 3 1 307.526 2.961 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663470559 431434994 /nfs/dbraw/zinc/43/49/94/431434994.db2.gz VEVNKESTHQXJQE-KRWDZBQOSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(CO)c1 ZINC000663471817 431436103 /nfs/dbraw/zinc/43/61/03/431436103.db2.gz YMWJHGYVRQEWOX-CRAIPNDOSA-N 2 1 302.462 2.952 20 0 DFADMP COCc1nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656783805 431519463 /nfs/dbraw/zinc/51/94/63/431519463.db2.gz ABEGIHHVEBTCSS-CQSZACIVSA-N 2 1 309.479 2.501 20 0 DFADMP CCc1ccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660623492 431519572 /nfs/dbraw/zinc/51/95/72/431519572.db2.gz NSLWETRGKQWHCG-OALUTQOASA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660623492 431519576 /nfs/dbraw/zinc/51/95/76/431519576.db2.gz NSLWETRGKQWHCG-OALUTQOASA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660623492 431519584 /nfs/dbraw/zinc/51/95/84/431519584.db2.gz NSLWETRGKQWHCG-OALUTQOASA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660623492 431519593 /nfs/dbraw/zinc/51/95/93/431519593.db2.gz NSLWETRGKQWHCG-OALUTQOASA-N 2 1 304.478 2.739 20 0 DFADMP COCc1nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000656783802 431520944 /nfs/dbraw/zinc/52/09/44/431520944.db2.gz ABEGIHHVEBTCSS-AWEZNQCLSA-N 2 1 309.479 2.501 20 0 DFADMP CCC[C@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+]1CCOC ZINC000663759060 431528269 /nfs/dbraw/zinc/52/82/69/431528269.db2.gz OURFNYVFHVNZLJ-AWEZNQCLSA-N 2 1 302.422 2.500 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CO1 ZINC000647253218 431530794 /nfs/dbraw/zinc/53/07/94/431530794.db2.gz YHSLKTNPKNLLIV-KSSFIOAISA-N 2 1 306.425 2.600 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000656695867 431481580 /nfs/dbraw/zinc/48/15/80/431481580.db2.gz SUWGSKPDBQTWRM-ROUUACIJSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000656695867 431481585 /nfs/dbraw/zinc/48/15/85/431481585.db2.gz SUWGSKPDBQTWRM-ROUUACIJSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000656695867 431481593 /nfs/dbraw/zinc/48/15/93/431481593.db2.gz SUWGSKPDBQTWRM-ROUUACIJSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1cccc(F)c1 ZINC000656695867 431481598 /nfs/dbraw/zinc/48/15/98/431481598.db2.gz SUWGSKPDBQTWRM-ROUUACIJSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000656699823 431485092 /nfs/dbraw/zinc/48/50/92/431485092.db2.gz WBUYKMVIFCSOQD-BHIYHBOVSA-N 2 1 304.478 2.813 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000656699823 431485099 /nfs/dbraw/zinc/48/50/99/431485099.db2.gz WBUYKMVIFCSOQD-BHIYHBOVSA-N 2 1 304.478 2.813 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000656699823 431485107 /nfs/dbraw/zinc/48/51/07/431485107.db2.gz WBUYKMVIFCSOQD-BHIYHBOVSA-N 2 1 304.478 2.813 20 0 DFADMP Cc1[nH+]c2c(n1C[C@H](O)C[N@H+](C)Cc1ccccc1)CCCC2 ZINC000656704592 431487131 /nfs/dbraw/zinc/48/71/31/431487131.db2.gz YWRTUBAWVRQMMS-QGZVFWFLSA-N 2 1 313.445 2.563 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000656699824 431487261 /nfs/dbraw/zinc/48/72/61/431487261.db2.gz WBUYKMVIFCSOQD-NEWSRXKRSA-N 2 1 304.478 2.813 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000656699824 431487265 /nfs/dbraw/zinc/48/72/65/431487265.db2.gz WBUYKMVIFCSOQD-NEWSRXKRSA-N 2 1 304.478 2.813 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000656699824 431487271 /nfs/dbraw/zinc/48/72/71/431487271.db2.gz WBUYKMVIFCSOQD-NEWSRXKRSA-N 2 1 304.478 2.813 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647168972 431488977 /nfs/dbraw/zinc/48/89/77/431488977.db2.gz TYEWSCRPEZJLNZ-UHFFFAOYSA-N 2 1 316.449 2.953 20 0 DFADMP CC[C@H](c1cccc(OC)c1)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660558416 431490945 /nfs/dbraw/zinc/49/09/45/431490945.db2.gz SOPHBUZPSIMOCX-FUHWJXTLSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@H](c1cccc(OC)c1)[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660558416 431490960 /nfs/dbraw/zinc/49/09/60/431490960.db2.gz SOPHBUZPSIMOCX-FUHWJXTLSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@H](c1cccc(OC)c1)[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660558416 431490965 /nfs/dbraw/zinc/49/09/65/431490965.db2.gz SOPHBUZPSIMOCX-FUHWJXTLSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@H](c1cccc(OC)c1)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660558418 431492410 /nfs/dbraw/zinc/49/24/10/431492410.db2.gz SOPHBUZPSIMOCX-SJLPKXTDSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@H](c1cccc(OC)c1)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660558418 431492420 /nfs/dbraw/zinc/49/24/20/431492420.db2.gz SOPHBUZPSIMOCX-SJLPKXTDSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@H](c1cccc(OC)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660558418 431492422 /nfs/dbraw/zinc/49/24/22/431492422.db2.gz SOPHBUZPSIMOCX-SJLPKXTDSA-N 2 1 308.466 2.779 20 0 DFADMP COc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C)cc1 ZINC000660564099 431496134 /nfs/dbraw/zinc/49/61/34/431496134.db2.gz YZILZACYDLPYLQ-KRWDZBQOSA-N 2 1 322.493 2.997 20 0 DFADMP COc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C)cc1 ZINC000660564099 431496137 /nfs/dbraw/zinc/49/61/37/431496137.db2.gz YZILZACYDLPYLQ-KRWDZBQOSA-N 2 1 322.493 2.997 20 0 DFADMP COc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C)cc1 ZINC000660564099 431496143 /nfs/dbraw/zinc/49/61/43/431496143.db2.gz YZILZACYDLPYLQ-KRWDZBQOSA-N 2 1 322.493 2.997 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647199996 431508416 /nfs/dbraw/zinc/50/84/16/431508416.db2.gz BJMTZGMPAQRKAI-KRWDZBQOSA-N 2 1 324.415 2.921 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343968 431560219 /nfs/dbraw/zinc/56/02/19/431560219.db2.gz GTFJNXSCJSSPBN-LMCOJAPRSA-N 2 1 315.505 2.652 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343968 431560225 /nfs/dbraw/zinc/56/02/25/431560225.db2.gz GTFJNXSCJSSPBN-LMCOJAPRSA-N 2 1 315.505 2.652 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343968 431560232 /nfs/dbraw/zinc/56/02/32/431560232.db2.gz GTFJNXSCJSSPBN-LMCOJAPRSA-N 2 1 315.505 2.652 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCN1CCCc3ccccc31)C2 ZINC000660660567 431536146 /nfs/dbraw/zinc/53/61/46/431536146.db2.gz ZHIYJMNIVNDZMF-HXUWFJFHSA-N 2 1 313.489 2.857 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCN1CCCc3ccccc31)C2 ZINC000660660567 431536153 /nfs/dbraw/zinc/53/61/53/431536153.db2.gz ZHIYJMNIVNDZMF-HXUWFJFHSA-N 2 1 313.489 2.857 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCN1CCCc3ccccc31)C2 ZINC000660660567 431536158 /nfs/dbraw/zinc/53/61/58/431536158.db2.gz ZHIYJMNIVNDZMF-HXUWFJFHSA-N 2 1 313.489 2.857 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647287673 431540716 /nfs/dbraw/zinc/54/07/16/431540716.db2.gz PIUVTPLIVQJGDW-UONOGXRCSA-N 2 1 301.438 2.711 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660719486 431562786 /nfs/dbraw/zinc/56/27/86/431562786.db2.gz ZQXLICVFPFXAFV-UHFFFAOYSA-N 2 1 314.437 2.543 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC=C(c2cn(C(C)C)nn2)CC1 ZINC000660719486 431562790 /nfs/dbraw/zinc/56/27/90/431562790.db2.gz ZQXLICVFPFXAFV-UHFFFAOYSA-N 2 1 314.437 2.543 20 0 DFADMP COc1cc2cc[nH+]c(N[C@H]3CCn4cc[nH+]c4C3)c2cc1OC ZINC000663820599 431552434 /nfs/dbraw/zinc/55/24/34/431552434.db2.gz PRBAAAXDODGPLL-ZDUSSCGKSA-N 2 1 324.384 2.875 20 0 DFADMP Cc1cc(CO)cc(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663857883 431569752 /nfs/dbraw/zinc/56/97/52/431569752.db2.gz LUPDBFOXNROOBI-QGZVFWFLSA-N 2 1 311.429 2.816 20 0 DFADMP Cc1cc(CO)cc(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[nH+]1 ZINC000663857883 431569762 /nfs/dbraw/zinc/56/97/62/431569762.db2.gz LUPDBFOXNROOBI-QGZVFWFLSA-N 2 1 311.429 2.816 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)OCCCO2 ZINC000647480163 431603681 /nfs/dbraw/zinc/60/36/81/431603681.db2.gz DHCZRBWHEURCHY-DOTOQJQBSA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)OCCCO2 ZINC000647480163 431603688 /nfs/dbraw/zinc/60/36/88/431603688.db2.gz DHCZRBWHEURCHY-DOTOQJQBSA-N 2 1 316.445 2.812 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CC[C@H]1CCc3ccccc31)CCO2 ZINC000660905679 431652727 /nfs/dbraw/zinc/65/27/27/431652727.db2.gz OWVZTNZORSIUMK-GOSISDBHSA-N 2 1 314.473 2.903 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)c(F)c1 ZINC000650717460 431661937 /nfs/dbraw/zinc/66/19/37/431661937.db2.gz BGDWPXGQBMJHRB-HNNXBMFYSA-N 2 1 321.421 2.882 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705345 431654880 /nfs/dbraw/zinc/65/48/80/431654880.db2.gz FAMTZQJDZUXREV-SCTDSRPQSA-N 2 1 318.461 2.804 20 0 DFADMP COCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707017 431654948 /nfs/dbraw/zinc/65/49/48/431654948.db2.gz WYNVZDMPJBHJBE-OTWHNJEPSA-N 2 1 318.461 2.551 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657295823 431656938 /nfs/dbraw/zinc/65/69/38/431656938.db2.gz ZZZFLADUJJUQIT-LJQANCHMSA-N 2 1 316.445 2.571 20 0 DFADMP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccncc2)c1 ZINC000657299911 431658802 /nfs/dbraw/zinc/65/88/02/431658802.db2.gz BSLKOJPZTHNQNU-UHFFFAOYSA-N 2 1 321.428 2.619 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2OC2CCCC2)C[C@H]1C[NH3+] ZINC000650714895 431659406 /nfs/dbraw/zinc/65/94/06/431659406.db2.gz HBQLTMZAPWJTPN-VQIMIIECSA-N 2 1 318.461 2.804 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2OC2CCCC2)C[C@H]1C[NH3+] ZINC000650714895 431659412 /nfs/dbraw/zinc/65/94/12/431659412.db2.gz HBQLTMZAPWJTPN-VQIMIIECSA-N 2 1 318.461 2.804 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000647498200 431605802 /nfs/dbraw/zinc/60/58/02/431605802.db2.gz COTGPVUYRREAGP-JSGCOSHPSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000647498200 431605805 /nfs/dbraw/zinc/60/58/05/431605805.db2.gz COTGPVUYRREAGP-JSGCOSHPSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000647497751 431606208 /nfs/dbraw/zinc/60/62/08/431606208.db2.gz TWIRIQFQIJKDHD-KXBFYZLASA-N 2 1 312.461 2.955 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2SC)CC[C@H]1[NH3+] ZINC000647498911 431608451 /nfs/dbraw/zinc/60/84/51/431608451.db2.gz TZXOCHIQLZNSLO-TZMCWYRMSA-N 2 1 324.490 2.985 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2SC)CC[C@H]1[NH3+] ZINC000647498911 431608455 /nfs/dbraw/zinc/60/84/55/431608455.db2.gz TZXOCHIQLZNSLO-TZMCWYRMSA-N 2 1 324.490 2.985 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000647511822 431612893 /nfs/dbraw/zinc/61/28/93/431612893.db2.gz ILBQRVANDJHMKZ-NUEKZKHPSA-N 2 1 314.433 2.548 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000647533546 431618909 /nfs/dbraw/zinc/61/89/09/431618909.db2.gz UIJQPPTUIJUZAA-MOPGFXCFSA-N 2 1 315.505 2.828 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000647537128 431623009 /nfs/dbraw/zinc/62/30/09/431623009.db2.gz ZTPFILXMEVGHMY-SFHVURJKSA-N 2 1 302.466 2.502 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cn1 ZINC000647537128 431623017 /nfs/dbraw/zinc/62/30/17/431623017.db2.gz ZTPFILXMEVGHMY-SFHVURJKSA-N 2 1 302.466 2.502 20 0 DFADMP COCc1nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543066 431623547 /nfs/dbraw/zinc/62/35/47/431623547.db2.gz HAYJPWSSDFXXOD-KGLIPLIRSA-N 2 1 309.479 2.501 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543424 431623572 /nfs/dbraw/zinc/62/35/72/431623572.db2.gz NDZHTBXXEZKQLQ-JKSUJKDBSA-N 2 1 303.450 2.692 20 0 DFADMP CC(C)(C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000647545490 431623731 /nfs/dbraw/zinc/62/37/31/431623731.db2.gz WQSDOGOJZLOXQC-QGZVFWFLSA-N 2 1 302.462 2.652 20 0 DFADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545711 431624454 /nfs/dbraw/zinc/62/44/54/431624454.db2.gz IOCITPNHYNKYEY-IXDOHACOSA-N 2 1 300.446 2.874 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543958 431625131 /nfs/dbraw/zinc/62/51/31/431625131.db2.gz UVRMOJLXIYCFTA-HOTGVXAUSA-N 2 1 303.450 2.692 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543798 431626175 /nfs/dbraw/zinc/62/61/75/431626175.db2.gz SFEOHLBTTFVLSD-HOTGVXAUSA-N 2 1 318.509 2.757 20 0 DFADMP C[C@H](Cc1ccccc1Br)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548805 431627605 /nfs/dbraw/zinc/62/76/05/431627605.db2.gz VEEIGIZUYOEPIT-SCRDCRAPSA-N 2 1 311.267 2.968 20 0 DFADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000647550134 431628121 /nfs/dbraw/zinc/62/81/21/431628121.db2.gz BLGQXNRECWNRCI-HIFRSBDPSA-N 2 1 316.474 2.725 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723265 431664821 /nfs/dbraw/zinc/66/48/21/431664821.db2.gz KMPIUTMMPONRAC-KZNAEPCWSA-N 2 1 306.425 2.995 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650724508 431668347 /nfs/dbraw/zinc/66/83/47/431668347.db2.gz HWQDBTARPOJIMT-QRVBRYPASA-N 2 1 317.477 2.683 20 0 DFADMP Cc1c(Br)cncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657312980 431669917 /nfs/dbraw/zinc/66/99/17/431669917.db2.gz DYMYJLWGYFPCOU-UONOGXRCSA-N 2 1 324.266 2.869 20 0 DFADMP Cc1c(Br)cncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657312980 431669922 /nfs/dbraw/zinc/66/99/22/431669922.db2.gz DYMYJLWGYFPCOU-UONOGXRCSA-N 2 1 324.266 2.869 20 0 DFADMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650746095 431677947 /nfs/dbraw/zinc/67/79/47/431677947.db2.gz VZVKYJPWFXFRJX-AEFFLSMTSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000650746095 431677951 /nfs/dbraw/zinc/67/79/51/431677951.db2.gz VZVKYJPWFXFRJX-AEFFLSMTSA-N 2 1 301.478 2.616 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CO1 ZINC000657329026 431680925 /nfs/dbraw/zinc/68/09/25/431680925.db2.gz HLOIRVSHJWJDRJ-ATZDWAIDSA-N 2 1 318.461 2.564 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CO1 ZINC000657329026 431680929 /nfs/dbraw/zinc/68/09/29/431680929.db2.gz HLOIRVSHJWJDRJ-ATZDWAIDSA-N 2 1 318.461 2.564 20 0 DFADMP c1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000647785508 431685620 /nfs/dbraw/zinc/68/56/20/431685620.db2.gz ALRNUIWDMQAMSS-ZACQAIPSSA-N 2 1 300.402 2.680 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000647791292 431686686 /nfs/dbraw/zinc/68/66/86/431686686.db2.gz BOARSGWLIFVKOK-MANSERQUSA-N 2 1 307.526 2.865 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000647793592 431689550 /nfs/dbraw/zinc/68/95/50/431689550.db2.gz BCAZZKCTDXBIPA-YYWYGQEZSA-N 3 1 305.510 2.617 20 0 DFADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657344119 431690407 /nfs/dbraw/zinc/69/04/07/431690407.db2.gz ZXSIQHALQWYFFK-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657344119 431690422 /nfs/dbraw/zinc/69/04/22/431690422.db2.gz ZXSIQHALQWYFFK-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657347756 431692117 /nfs/dbraw/zinc/69/21/17/431692117.db2.gz GAKPCROPSNLOEC-LBPRGKRZSA-N 2 1 318.387 2.649 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657347756 431692122 /nfs/dbraw/zinc/69/21/22/431692122.db2.gz GAKPCROPSNLOEC-LBPRGKRZSA-N 2 1 318.387 2.649 20 0 DFADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccc2c(c1)OCCO2 ZINC000647872333 431713476 /nfs/dbraw/zinc/71/34/76/431713476.db2.gz XGRPZLYMLNVKFS-UHFFFAOYSA-N 2 1 304.434 2.669 20 0 DFADMP COCc1csc(CNC2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000657360944 431699286 /nfs/dbraw/zinc/69/92/86/431699286.db2.gz VYKUVQPUUKOQQX-INIZCTEOSA-N 2 1 324.490 2.628 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+]Cc2cccc3c2OC(F)(F)O3)c(F)c1 ZINC000650716763 431662267 /nfs/dbraw/zinc/66/22/67/431662267.db2.gz IUYZUHCIMLEVRY-UHFFFAOYSA-N 2 1 324.302 2.896 20 0 DFADMP CCCOc1ccc(CNCc2cnc3n2CCC3)cc1OC ZINC000657306397 431663136 /nfs/dbraw/zinc/66/31/36/431663136.db2.gz WXMCIRYPIVXZNZ-UHFFFAOYSA-N 2 1 315.417 2.917 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000647708190 431663706 /nfs/dbraw/zinc/66/37/06/431663706.db2.gz ALUOAULCDGWROB-MSOLQXFVSA-N 2 1 311.429 2.876 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)CC1CCC1 ZINC000647960838 431750302 /nfs/dbraw/zinc/75/03/02/431750302.db2.gz NCRGMQQHTWIVDT-IBGZPJMESA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000647960838 431750308 /nfs/dbraw/zinc/75/03/08/431750308.db2.gz NCRGMQQHTWIVDT-IBGZPJMESA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000647960838 431750313 /nfs/dbraw/zinc/75/03/13/431750313.db2.gz NCRGMQQHTWIVDT-IBGZPJMESA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657434691 431750974 /nfs/dbraw/zinc/75/09/74/431750974.db2.gz HWZKXHNZZJHWKD-QGZVFWFLSA-N 2 1 302.443 2.571 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657434691 431750980 /nfs/dbraw/zinc/75/09/80/431750980.db2.gz HWZKXHNZZJHWKD-QGZVFWFLSA-N 2 1 302.443 2.571 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000647961591 431752509 /nfs/dbraw/zinc/75/25/09/431752509.db2.gz RVGVBNKLDQLIMZ-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000647961591 431752511 /nfs/dbraw/zinc/75/25/11/431752511.db2.gz RVGVBNKLDQLIMZ-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000647964466 431756511 /nfs/dbraw/zinc/75/65/11/431756511.db2.gz LNFBKQVMPVYPAY-RCCFBDPRSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000647964466 431756518 /nfs/dbraw/zinc/75/65/18/431756518.db2.gz LNFBKQVMPVYPAY-RCCFBDPRSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000647964466 431756525 /nfs/dbraw/zinc/75/65/25/431756525.db2.gz LNFBKQVMPVYPAY-RCCFBDPRSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975230 431760944 /nfs/dbraw/zinc/76/09/44/431760944.db2.gz RGKVCSFZQKKDNR-SJORKVTESA-N 2 1 315.461 2.645 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975849 431761271 /nfs/dbraw/zinc/76/12/71/431761271.db2.gz GUIDHGNLNSQCNP-KURKYZTESA-N 2 1 323.525 2.732 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647978811 431761383 /nfs/dbraw/zinc/76/13/83/431761383.db2.gz YKVBFPYRAHSTLO-RTBURBONSA-N 2 1 314.473 2.876 20 0 DFADMP Cc1ncc(CNCC[NH+]2CCC3(CCCCC3)CC2)n1C ZINC000657457719 431762264 /nfs/dbraw/zinc/76/22/64/431762264.db2.gz BBBOCENUGYMROS-UHFFFAOYSA-N 2 1 304.482 2.864 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647977805 431762836 /nfs/dbraw/zinc/76/28/36/431762836.db2.gz HSWCMHZTMBSXCW-JKSUJKDBSA-N 2 1 320.481 2.870 20 0 DFADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000647872327 431714125 /nfs/dbraw/zinc/71/41/25/431714125.db2.gz WNYRUPWWGBKWNU-INIZCTEOSA-N 2 1 304.434 2.538 20 0 DFADMP CC(C)c1ncc2c(n1)C[N@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000647884590 431719035 /nfs/dbraw/zinc/71/90/35/431719035.db2.gz KKRCKMRPMBDFFK-UHFFFAOYSA-N 2 1 302.466 2.738 20 0 DFADMP CC(C)(N)c1noc(CN2CCS[C@H](c3ccccc3)C2)n1 ZINC000647885800 431719190 /nfs/dbraw/zinc/71/91/90/431719190.db2.gz RNORQIXPVJQQAL-ZDUSSCGKSA-N 2 1 318.446 2.554 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904239 431723586 /nfs/dbraw/zinc/72/35/86/431723586.db2.gz ZOPIFFPLXKDWGP-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904239 431723592 /nfs/dbraw/zinc/72/35/92/431723592.db2.gz ZOPIFFPLXKDWGP-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccccc1-n1cc(CN(C)[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000648035848 431794908 /nfs/dbraw/zinc/79/49/08/431794908.db2.gz SKWSAMUSRXICIS-AEFFLSMTSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cn1 ZINC000648035848 431794916 /nfs/dbraw/zinc/79/49/16/431794916.db2.gz SKWSAMUSRXICIS-AEFFLSMTSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(C[N@H+](C)[C@H]2CCN(C)C[C@H]2C)cn1 ZINC000648035848 431794920 /nfs/dbraw/zinc/79/49/20/431794920.db2.gz SKWSAMUSRXICIS-AEFFLSMTSA-N 2 1 312.461 2.953 20 0 DFADMP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000657552165 431806807 /nfs/dbraw/zinc/80/68/07/431806807.db2.gz BMNOSUUKKGJFDP-UHOSZYNNSA-N 2 1 320.477 2.681 20 0 DFADMP COC[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000657552165 431806813 /nfs/dbraw/zinc/80/68/13/431806813.db2.gz BMNOSUUKKGJFDP-UHOSZYNNSA-N 2 1 320.477 2.681 20 0 DFADMP CC[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648071580 431807531 /nfs/dbraw/zinc/80/75/31/431807531.db2.gz JKPVXWYKYUSMFP-QGZVFWFLSA-N 2 1 302.462 2.977 20 0 DFADMP CC(C)CCn1cccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071893 431808309 /nfs/dbraw/zinc/80/83/09/431808309.db2.gz ZZNNLIAGLQYVSN-UHFFFAOYSA-N 2 1 319.493 2.831 20 0 DFADMP CC(C)CCn1cccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071893 431808313 /nfs/dbraw/zinc/80/83/13/431808313.db2.gz ZZNNLIAGLQYVSN-UHFFFAOYSA-N 2 1 319.493 2.831 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1C[C@H]1c1ccccc1)CCO2 ZINC000648072324 431808473 /nfs/dbraw/zinc/80/84/73/431808473.db2.gz YJMAYNUAORXKAX-MSOLQXFVSA-N 2 1 300.446 2.587 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3cc(F)ccc3o1)CCO2 ZINC000648071792 431809400 /nfs/dbraw/zinc/80/94/00/431809400.db2.gz UFPMXTDDNKKVSW-UHFFFAOYSA-N 2 1 318.392 2.869 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3cc(F)ccc3o1)CCO2 ZINC000648071792 431809405 /nfs/dbraw/zinc/80/94/05/431809405.db2.gz UFPMXTDDNKKVSW-UHFFFAOYSA-N 2 1 318.392 2.869 20 0 DFADMP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657562732 431810235 /nfs/dbraw/zinc/81/02/35/431810235.db2.gz ONJWTFGHZFXPCC-KRWDZBQOSA-N 2 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000657562732 431810241 /nfs/dbraw/zinc/81/02/41/431810241.db2.gz ONJWTFGHZFXPCC-KRWDZBQOSA-N 2 1 319.493 2.589 20 0 DFADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@H](c2nc3c(s2)CCCC3)C1 ZINC000647990413 431767119 /nfs/dbraw/zinc/76/71/19/431767119.db2.gz YSTWVRFDRYMQKY-KGLIPLIRSA-N 2 1 305.491 2.811 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H]([C@H]3CCCC3(C)C)C2)n1 ZINC000647995260 431769242 /nfs/dbraw/zinc/76/92/42/431769242.db2.gz JSKLASRQWOLCCP-CHWSQXEVSA-N 2 1 306.454 2.912 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000648137347 431823133 /nfs/dbraw/zinc/82/31/33/431823133.db2.gz SXXYQEGPNUZKHD-OAHLLOKOSA-N 2 1 320.481 2.764 20 0 DFADMP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657629088 431828734 /nfs/dbraw/zinc/82/87/34/431828734.db2.gz ZTOHCZUSFCHDIV-MELADBBJSA-N 2 1 310.388 2.949 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000361517929 289068616 /nfs/dbraw/zinc/06/86/16/289068616.db2.gz GMIMYKRGWPUHJB-UHFFFAOYSA-N 2 1 317.355 2.945 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000261745071 289278574 /nfs/dbraw/zinc/27/85/74/289278574.db2.gz MDAJEPCNDIEQCF-MAZHCROVSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338317241 290077818 /nfs/dbraw/zinc/07/78/18/290077818.db2.gz PLQAYRKABGKQBN-UONOGXRCSA-N 2 1 304.425 2.589 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000436430617 297002745 /nfs/dbraw/zinc/00/27/45/297002745.db2.gz GYEVJXIJOBHGNE-LBPRGKRZSA-N 2 1 305.447 2.578 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000436430617 297002747 /nfs/dbraw/zinc/00/27/47/297002747.db2.gz GYEVJXIJOBHGNE-LBPRGKRZSA-N 2 1 305.447 2.578 20 0 DFADMP CN(Cc1c[nH]nc1-c1ccsc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000437594367 297065477 /nfs/dbraw/zinc/06/54/77/297065477.db2.gz WDXLBIADFJJNTN-ZDUSSCGKSA-N 2 1 304.463 2.912 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C[C@H]1CCC[NH+](C)C1 ZINC000437594367 297065479 /nfs/dbraw/zinc/06/54/79/297065479.db2.gz WDXLBIADFJJNTN-ZDUSSCGKSA-N 2 1 304.463 2.912 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C[C@H]1CCC[NH+](C)C1 ZINC000437594367 297065481 /nfs/dbraw/zinc/06/54/81/297065481.db2.gz WDXLBIADFJJNTN-ZDUSSCGKSA-N 2 1 304.463 2.912 20 0 DFADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCN1CC(F)F ZINC000154403364 295299422 /nfs/dbraw/zinc/29/94/22/295299422.db2.gz CAVKKCQIRZGJMS-OAHLLOKOSA-N 2 1 314.424 2.633 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCN1CC(F)F ZINC000154403364 295299426 /nfs/dbraw/zinc/29/94/26/295299426.db2.gz CAVKKCQIRZGJMS-OAHLLOKOSA-N 2 1 314.424 2.633 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000157595690 295350832 /nfs/dbraw/zinc/35/08/32/295350832.db2.gz VCSKIEAMNQLXBF-UHFFFAOYSA-N 2 1 306.498 2.981 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1SC ZINC000377493562 295477166 /nfs/dbraw/zinc/47/71/66/295477166.db2.gz GUROYXSXRWHCQY-ZDUSSCGKSA-N 2 1 303.431 2.718 20 0 DFADMP CCc1ccc2c(C[NH2+][C@H]3CCc4[nH+]ccn4C3)cc(=O)oc2c1 ZINC000377494290 295477193 /nfs/dbraw/zinc/47/71/93/295477193.db2.gz HXLOHADJNUYPEL-HNNXBMFYSA-N 2 1 323.396 2.657 20 0 DFADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568775 297098982 /nfs/dbraw/zinc/09/89/82/297098982.db2.gz QQOGSRDWWUAFDA-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438565166 297099101 /nfs/dbraw/zinc/09/91/01/297099101.db2.gz BTJJCDXAAYPDOG-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565166 297099104 /nfs/dbraw/zinc/09/91/04/297099104.db2.gz BTJJCDXAAYPDOG-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438565166 297099107 /nfs/dbraw/zinc/09/91/07/297099107.db2.gz BTJJCDXAAYPDOG-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP CC1CC[NH+](CCCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438575785 297099748 /nfs/dbraw/zinc/09/97/48/297099748.db2.gz FZTIUBMJCAYKDK-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]4OCCC[C@H]34)sc2C1 ZINC000438907432 297106508 /nfs/dbraw/zinc/10/65/08/297106508.db2.gz OBSHTVCXFJKURK-BPLDGKMQSA-N 2 1 321.490 2.567 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]4OCCC[C@H]34)sc2C1 ZINC000438907432 297106512 /nfs/dbraw/zinc/10/65/12/297106512.db2.gz OBSHTVCXFJKURK-BPLDGKMQSA-N 2 1 321.490 2.567 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000438977509 297110381 /nfs/dbraw/zinc/11/03/81/297110381.db2.gz KBAJOWZTFGFNRV-GFCCVEGCSA-N 2 1 316.405 2.509 20 0 DFADMP CC[C@@H]1C[NH+](C/C=C\C[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470876 297127303 /nfs/dbraw/zinc/12/73/03/297127303.db2.gz FEFBBCSJGLFIGL-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CC[C@@H]1C[N@H+](C/C=C\C[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470876 297127305 /nfs/dbraw/zinc/12/73/05/297127305.db2.gz FEFBBCSJGLFIGL-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CC[C@@H]1C[N@@H+](C/C=C\C[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470876 297127307 /nfs/dbraw/zinc/12/73/07/297127307.db2.gz FEFBBCSJGLFIGL-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441373856 297181756 /nfs/dbraw/zinc/18/17/56/297181756.db2.gz CJOVXANROZFGMP-ZKXLYKBJSA-N 2 1 312.498 2.621 20 0 DFADMP CO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441373856 297181757 /nfs/dbraw/zinc/18/17/57/297181757.db2.gz CJOVXANROZFGMP-ZKXLYKBJSA-N 2 1 312.498 2.621 20 0 DFADMP CO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000441373856 297181758 /nfs/dbraw/zinc/18/17/58/297181758.db2.gz CJOVXANROZFGMP-ZKXLYKBJSA-N 2 1 312.498 2.621 20 0 DFADMP [NH3+][C@@H](Cc1c[nH]c2ccccc12)c1nc(C2([NH3+])CCCC2)no1 ZINC000442776082 297205401 /nfs/dbraw/zinc/20/54/01/297205401.db2.gz XZLNCWMBWGROPO-ZDUSSCGKSA-N 2 1 311.389 2.521 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)n2)cc1F ZINC000442782808 297205834 /nfs/dbraw/zinc/20/58/34/297205834.db2.gz QILQYLVHSULQFZ-AGIUHOORSA-N 2 1 318.396 2.914 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@H](C[NH3+])C[C@H]3C)n2)cc1F ZINC000442782808 297205836 /nfs/dbraw/zinc/20/58/36/297205836.db2.gz QILQYLVHSULQFZ-AGIUHOORSA-N 2 1 318.396 2.914 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2c(s1)CCC2 ZINC000442877005 297209227 /nfs/dbraw/zinc/20/92/27/297209227.db2.gz QLJLPXDDWVEUMU-AWEZNQCLSA-N 2 1 321.534 2.913 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000442918462 297211163 /nfs/dbraw/zinc/21/11/63/297211163.db2.gz GTGIBBDQVPBURU-NSHDSACASA-N 2 1 313.239 2.716 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000442921765 297211322 /nfs/dbraw/zinc/21/13/22/297211322.db2.gz JRZMMWCJHMKTSA-GFCCVEGCSA-N 2 1 304.463 2.834 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443059919 297214000 /nfs/dbraw/zinc/21/40/00/297214000.db2.gz NYKGPKUAPYITMN-MRXNPFEDSA-N 2 1 317.477 2.633 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000443058038 297214023 /nfs/dbraw/zinc/21/40/23/297214023.db2.gz IXIFSAWEKGQDTP-KGLIPLIRSA-N 2 1 307.413 2.522 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)o2)cc1 ZINC000443063097 297214192 /nfs/dbraw/zinc/21/41/92/297214192.db2.gz VUYBJARZHHWGDP-AWEZNQCLSA-N 2 1 315.417 2.911 20 0 DFADMP C[C@@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064934 297214686 /nfs/dbraw/zinc/21/46/86/297214686.db2.gz ZCBJPWBGJPETGH-HOCLYGCPSA-N 2 1 314.433 2.782 20 0 DFADMP CCc1cccc(CC)c1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443076496 297215173 /nfs/dbraw/zinc/21/51/73/297215173.db2.gz SKRVUMVEIBGFTN-OAHLLOKOSA-N 2 1 317.477 2.811 20 0 DFADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC000443101711 297215810 /nfs/dbraw/zinc/21/58/10/297215810.db2.gz MRIARSIMKVSSFR-ZBFHGGJFSA-N 2 1 323.506 2.766 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000444227171 297233528 /nfs/dbraw/zinc/23/35/28/297233528.db2.gz OOIGIPGJYUOMAR-ZFWWWQNUSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000444227171 297233529 /nfs/dbraw/zinc/23/35/29/297233529.db2.gz OOIGIPGJYUOMAR-ZFWWWQNUSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000444227171 297233530 /nfs/dbraw/zinc/23/35/30/297233530.db2.gz OOIGIPGJYUOMAR-ZFWWWQNUSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000444227171 297233531 /nfs/dbraw/zinc/23/35/31/297233531.db2.gz OOIGIPGJYUOMAR-ZFWWWQNUSA-N 2 1 321.440 2.877 20 0 DFADMP c1nc2c(n1[C@@H]1CC[N@H+](CCC[NH+]3CCCCC3)C1)CCCC2 ZINC000444630486 297242110 /nfs/dbraw/zinc/24/21/10/297242110.db2.gz OSAHLIHIPQLWDR-QGZVFWFLSA-N 3 1 316.493 2.885 20 0 DFADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444659196 297243782 /nfs/dbraw/zinc/24/37/82/297243782.db2.gz CNLTWHRKPNTWPT-CRAIPNDOSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3C)CC2)CC1 ZINC000445528645 297262620 /nfs/dbraw/zinc/26/26/20/297262620.db2.gz NKNNFSOCCOCXTD-UHFFFAOYSA-N 2 1 315.505 2.987 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cc(C)oc2C)CC1 ZINC000447541606 297307490 /nfs/dbraw/zinc/30/74/90/297307490.db2.gz MOKFWKQCXJRIFX-MRXNPFEDSA-N 2 1 307.482 2.965 20 0 DFADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449059946 297398489 /nfs/dbraw/zinc/39/84/89/297398489.db2.gz DJNSDFWICGNBJT-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP COCC[NH+]1CCC([NH2+]C2CCC(CSC)CC2)CC1 ZINC000449105174 297406303 /nfs/dbraw/zinc/40/63/03/297406303.db2.gz HIIPMNWSJGRPLC-UHFFFAOYSA-N 2 1 300.512 2.609 20 0 DFADMP CC[C@@](C)(CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449218252 297424628 /nfs/dbraw/zinc/42/46/28/297424628.db2.gz GRASTJDJDDAZES-LPHOPBHVSA-N 2 1 304.478 2.833 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@@H](CC(C)C)C[NH+]2CCCC2)CC1 ZINC000449382299 297456150 /nfs/dbraw/zinc/45/61/50/297456150.db2.gz BWHKPLMPUOIGFI-ABHNRTSZSA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)[C@H]1C[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000449495093 297479019 /nfs/dbraw/zinc/47/90/19/297479019.db2.gz OARYZJJHOWHKMD-UKRRQHHQSA-N 2 1 311.495 2.746 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@@H](c3cccs3)C2)CC1 ZINC000449621110 297500902 /nfs/dbraw/zinc/50/09/02/297500902.db2.gz GREQWQGILHCJOI-JKSUJKDBSA-N 2 1 324.490 2.669 20 0 DFADMP C[C@H](C(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245945975 298019654 /nfs/dbraw/zinc/01/96/54/298019654.db2.gz WQOLYSDJUSMTCE-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453087897 298060762 /nfs/dbraw/zinc/06/07/62/298060762.db2.gz JRGDJVVIACUYCE-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453098884 298061734 /nfs/dbraw/zinc/06/17/34/298061734.db2.gz XJJXTUWKSXEQTA-IBGZPJMESA-N 2 1 307.526 2.963 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C2CCc3ccccc3CC2)CC1(C)C ZINC000453224069 298073055 /nfs/dbraw/zinc/07/30/55/298073055.db2.gz TYCJIROVWJNSEU-UHFFFAOYSA-N 2 1 315.505 2.550 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cc(-c2ccccc2)nn1C ZINC000453243080 298074704 /nfs/dbraw/zinc/07/47/04/298074704.db2.gz RAZXCJNBFYQAOP-LSDHHAIUSA-N 2 1 300.450 2.935 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453251845 298075180 /nfs/dbraw/zinc/07/51/80/298075180.db2.gz MCGUPHWLPKBFGT-AABGKKOBSA-N 2 1 324.472 2.985 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000453268238 298079027 /nfs/dbraw/zinc/07/90/27/298079027.db2.gz NTTYWVTYVNWTJK-OKYOBFRVSA-N 2 1 302.462 2.707 20 0 DFADMP O[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000453389507 298089486 /nfs/dbraw/zinc/08/94/86/298089486.db2.gz RKDZAJIEBFIQOG-YSTOQKLRSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000453419338 298092521 /nfs/dbraw/zinc/09/25/21/298092521.db2.gz YVDYSRRZKZGYOD-SPLOXXLWSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc([S@@](C)=O)cc1 ZINC000453419336 298092611 /nfs/dbraw/zinc/09/26/11/298092611.db2.gz YVDYSRRZKZGYOD-LHSJRXKWSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158595127 298109982 /nfs/dbraw/zinc/10/99/82/298109982.db2.gz HGZYOWSKSBUTLL-QXDIGNSFSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158595127 298109985 /nfs/dbraw/zinc/10/99/85/298109985.db2.gz HGZYOWSKSBUTLL-QXDIGNSFSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158595127 298109988 /nfs/dbraw/zinc/10/99/88/298109988.db2.gz HGZYOWSKSBUTLL-QXDIGNSFSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158595127 298109989 /nfs/dbraw/zinc/10/99/89/298109989.db2.gz HGZYOWSKSBUTLL-QXDIGNSFSA-N 2 1 321.509 2.581 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000454356697 298160940 /nfs/dbraw/zinc/16/09/40/298160940.db2.gz NPVPOXKMANRYOG-KRWDZBQOSA-N 2 1 318.465 2.695 20 0 DFADMP Cc1cc(C)c(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)n1 ZINC000455489589 298369139 /nfs/dbraw/zinc/36/91/39/298369139.db2.gz VRPDLMKKEDPXNE-LSDHHAIUSA-N 2 1 302.422 2.755 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)c2ccccc21 ZINC000496083292 300017310 /nfs/dbraw/zinc/01/73/10/300017310.db2.gz QBQWKZVDZXDNNK-QZTJIDSGSA-N 2 1 323.396 2.878 20 0 DFADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000496770731 300111715 /nfs/dbraw/zinc/11/17/15/300111715.db2.gz BCNBAIFWZTVSSS-CQSZACIVSA-N 2 1 311.470 2.508 20 0 DFADMP CC(C)(C)OC(=O)NCCC[NH2+][C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000496770731 300111716 /nfs/dbraw/zinc/11/17/16/300111716.db2.gz BCNBAIFWZTVSSS-CQSZACIVSA-N 2 1 311.470 2.508 20 0 DFADMP CC[N@@H+]1C[C@H](C)N(c2cc(C(C)C)[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000497517321 300191269 /nfs/dbraw/zinc/19/12/69/300191269.db2.gz XOEOBSMTRFTVCM-KBPBESRZSA-N 2 1 305.470 2.585 20 0 DFADMP CC[N@H+]1C[C@H](C)N(c2cc(C(C)C)[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000497517321 300191270 /nfs/dbraw/zinc/19/12/70/300191270.db2.gz XOEOBSMTRFTVCM-KBPBESRZSA-N 2 1 305.470 2.585 20 0 DFADMP CC[C@@H]([NH2+]CC[N@H+](C)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000497825559 300192271 /nfs/dbraw/zinc/19/22/71/300192271.db2.gz FOOAGLQQONZDCS-MRXNPFEDSA-N 2 1 310.482 2.962 20 0 DFADMP CC[C@@H]([NH2+]CC[N@@H+](C)C1CCCCC1)C1(C(=O)OC)CCC1 ZINC000497825559 300192273 /nfs/dbraw/zinc/19/22/73/300192273.db2.gz FOOAGLQQONZDCS-MRXNPFEDSA-N 2 1 310.482 2.962 20 0 DFADMP c1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000514666963 300264981 /nfs/dbraw/zinc/26/49/81/300264981.db2.gz DRZPSEKLZNBRIW-YESZJQIVSA-N 2 1 300.402 2.680 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000514734963 300269337 /nfs/dbraw/zinc/26/93/37/300269337.db2.gz QSKDCXAGILWNON-HOJAQTOUSA-N 2 1 315.505 2.623 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000514863137 300275925 /nfs/dbraw/zinc/27/59/25/300275925.db2.gz OONXHGUGRBPOBM-NEPJUHHUSA-N 2 1 315.244 2.914 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000514863137 300275926 /nfs/dbraw/zinc/27/59/26/300275926.db2.gz OONXHGUGRBPOBM-NEPJUHHUSA-N 2 1 315.244 2.914 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000514863141 300276070 /nfs/dbraw/zinc/27/60/70/300276070.db2.gz OONXHGUGRBPOBM-RYUDHWBXSA-N 2 1 315.244 2.914 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000514863141 300276073 /nfs/dbraw/zinc/27/60/73/300276073.db2.gz OONXHGUGRBPOBM-RYUDHWBXSA-N 2 1 315.244 2.914 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@H](C)O[C@H]3C)CC2)oc1C ZINC000515036402 300285644 /nfs/dbraw/zinc/28/56/44/300285644.db2.gz NNPXSFGABPBLAW-YLQAJVPDSA-N 2 1 321.465 2.659 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)C[NH+]1CCCC1 ZINC000527845983 300700691 /nfs/dbraw/zinc/70/06/91/300700691.db2.gz BWHCUGRQOQXQPL-MLGOLLRUSA-N 2 1 312.816 2.513 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000530023203 301005203 /nfs/dbraw/zinc/00/52/03/301005203.db2.gz CSZZAZBQRKNRPZ-QZTJIDSGSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530178783 301026531 /nfs/dbraw/zinc/02/65/31/301026531.db2.gz RAMBEFNEWCTKAD-GOEBONIOSA-N 2 1 301.434 2.586 20 0 DFADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000530218273 301030341 /nfs/dbraw/zinc/03/03/41/301030341.db2.gz LMJQBNVUJMATBQ-BFHYXJOUSA-N 2 1 304.425 2.805 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530220089 301031290 /nfs/dbraw/zinc/03/12/90/301031290.db2.gz IMJGQZQFPZWNIP-ZHALLVOQSA-N 2 1 320.452 2.705 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000530223153 301031764 /nfs/dbraw/zinc/03/17/64/301031764.db2.gz NIRBDTADBTXOHZ-NXYGQSRBSA-N 2 1 306.425 2.587 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000530223153 301031768 /nfs/dbraw/zinc/03/17/68/301031768.db2.gz NIRBDTADBTXOHZ-NXYGQSRBSA-N 2 1 306.425 2.587 20 0 DFADMP CO[C@@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000530227394 301032353 /nfs/dbraw/zinc/03/23/53/301032353.db2.gz WZMVJIVAGLMKGF-YOEHRIQHSA-N 2 1 306.425 2.977 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000530272198 301037776 /nfs/dbraw/zinc/03/77/76/301037776.db2.gz GKAIWHVDZGJSTO-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000530272198 301037778 /nfs/dbraw/zinc/03/77/78/301037778.db2.gz GKAIWHVDZGJSTO-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000530465185 301049599 /nfs/dbraw/zinc/04/95/99/301049599.db2.gz HXNLXFPRDNPKIB-KBPBESRZSA-N 2 1 317.433 2.762 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000530518431 301053616 /nfs/dbraw/zinc/05/36/16/301053616.db2.gz PZWATMDQRKEWDN-GOSISDBHSA-N 2 1 321.428 2.816 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1ccc(OC2CCCCC2)nc1 ZINC000531709507 301105304 /nfs/dbraw/zinc/10/53/04/301105304.db2.gz ZSOGHIQWPDFNMO-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1ccc(OC2CCCCC2)nc1 ZINC000531709507 301105306 /nfs/dbraw/zinc/10/53/06/301105306.db2.gz ZSOGHIQWPDFNMO-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccoc1 ZINC000531931965 301119222 /nfs/dbraw/zinc/11/92/22/301119222.db2.gz ZSTBWOMVBPKODI-ZBFHGGJFSA-N 2 1 319.474 2.980 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000532192678 301136201 /nfs/dbraw/zinc/13/62/01/301136201.db2.gz ZRMLMWCDOQWQNJ-RHSMWYFYSA-N 2 1 303.450 2.855 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000532192678 301136205 /nfs/dbraw/zinc/13/62/05/301136205.db2.gz ZRMLMWCDOQWQNJ-RHSMWYFYSA-N 2 1 303.450 2.855 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000532531805 301159034 /nfs/dbraw/zinc/15/90/34/301159034.db2.gz NJUYOSHPXWXCJO-AOIWGVFYSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000532531805 301159035 /nfs/dbraw/zinc/15/90/35/301159035.db2.gz NJUYOSHPXWXCJO-AOIWGVFYSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000532531805 301159039 /nfs/dbraw/zinc/15/90/39/301159039.db2.gz NJUYOSHPXWXCJO-AOIWGVFYSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000532531805 301159041 /nfs/dbraw/zinc/15/90/41/301159041.db2.gz NJUYOSHPXWXCJO-AOIWGVFYSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000533864772 301214862 /nfs/dbraw/zinc/21/48/62/301214862.db2.gz BJOUPROVMXZCER-OLZOCXBDSA-N 2 1 323.400 2.619 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cscn1 ZINC000535779959 301260805 /nfs/dbraw/zinc/26/08/05/301260805.db2.gz JMRFGZPMBKSCKM-ZDUSSCGKSA-N 2 1 305.447 2.934 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000536609567 301282326 /nfs/dbraw/zinc/28/23/26/301282326.db2.gz JLQHFNAFZPRYJN-UHFFFAOYSA-N 2 1 315.417 2.875 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc2c(c1)OCCO2 ZINC000536609567 301282327 /nfs/dbraw/zinc/28/23/27/301282327.db2.gz JLQHFNAFZPRYJN-UHFFFAOYSA-N 2 1 315.417 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000536934165 301293130 /nfs/dbraw/zinc/29/31/30/301293130.db2.gz BVHVNRQSACHDCS-IYBDPMFKSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000536934165 301293131 /nfs/dbraw/zinc/29/31/31/301293131.db2.gz BVHVNRQSACHDCS-IYBDPMFKSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537607187 301305580 /nfs/dbraw/zinc/30/55/80/301305580.db2.gz SBTPGXKQEBACME-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000539898600 301353092 /nfs/dbraw/zinc/35/30/92/301353092.db2.gz YBZSPUWJVJZRIC-XOKHGSTOSA-N 2 1 308.491 2.994 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2csnn2)C[N@@H+]1Cc1ccccc1 ZINC000540628273 301366481 /nfs/dbraw/zinc/36/64/81/301366481.db2.gz VTXVLIKIFSFETO-HOCLYGCPSA-N 2 1 316.474 2.928 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2csnn2)C[N@H+]1Cc1ccccc1 ZINC000540628273 301366483 /nfs/dbraw/zinc/36/64/83/301366483.db2.gz VTXVLIKIFSFETO-HOCLYGCPSA-N 2 1 316.474 2.928 20 0 DFADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000540988413 301380196 /nfs/dbraw/zinc/38/01/96/301380196.db2.gz LFIBUVNANQZTAP-MOPGFXCFSA-N 2 1 302.462 2.777 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@H](C(=O)OC)C2CC2)CC1)CC1CC1 ZINC000541057372 301382008 /nfs/dbraw/zinc/38/20/08/301382008.db2.gz HCGMPXGPBJYKOT-SFHVURJKSA-N 2 1 322.493 2.772 20 0 DFADMP CC(C)[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000541849722 301398834 /nfs/dbraw/zinc/39/88/34/301398834.db2.gz HQXFDTWMFBIDGC-GOSISDBHSA-N 2 1 322.472 2.535 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2=CCCCCC2)CC1 ZINC000548491607 301595085 /nfs/dbraw/zinc/59/50/85/301595085.db2.gz CEKZXZJQEADUBM-UHFFFAOYSA-N 2 1 314.433 2.662 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000553176753 301705882 /nfs/dbraw/zinc/70/58/82/301705882.db2.gz QMDMUHZDKNOTEO-SJLPKXTDSA-N 2 1 317.477 2.526 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)n(C)n1 ZINC000562812576 302005041 /nfs/dbraw/zinc/00/50/41/302005041.db2.gz KAVYCARYQABFCI-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)n(C)n1 ZINC000562812576 302005043 /nfs/dbraw/zinc/00/50/43/302005043.db2.gz KAVYCARYQABFCI-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP Brc1ccc2[nH+]ccc(NCC3CC[NH2+]CC3)c2c1 ZINC000562830334 302007043 /nfs/dbraw/zinc/00/70/43/302007043.db2.gz RXTIBDDJYDFQAH-UHFFFAOYSA-N 2 1 320.234 2.831 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120210 302038996 /nfs/dbraw/zinc/03/89/96/302038996.db2.gz XFUMAXVKJRHNOT-MSOLQXFVSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120210 302038998 /nfs/dbraw/zinc/03/89/98/302038998.db2.gz XFUMAXVKJRHNOT-MSOLQXFVSA-N 2 1 302.462 2.790 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1(C)C ZINC000563269534 302056499 /nfs/dbraw/zinc/05/64/99/302056499.db2.gz VGJIAFZJBGDOJU-QZTJIDSGSA-N 2 1 302.462 2.968 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000563353243 302065596 /nfs/dbraw/zinc/06/55/96/302065596.db2.gz BTLAJAFAPTYSTA-QGZVFWFLSA-N 2 1 303.406 2.627 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccco1)C[C@H]1CCCO1 ZINC000563353243 302065598 /nfs/dbraw/zinc/06/55/98/302065598.db2.gz BTLAJAFAPTYSTA-QGZVFWFLSA-N 2 1 303.406 2.627 20 0 DFADMP Cn1ccnc1[C@H]([NH2+]CC1CC[NH2+]CC1)c1ccccc1Cl ZINC000563951201 302111135 /nfs/dbraw/zinc/11/11/35/302111135.db2.gz PLRRJFKWNAHAJM-MRXNPFEDSA-N 2 1 318.852 2.752 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccn2ccnc2c1 ZINC000564423225 302133872 /nfs/dbraw/zinc/13/38/72/302133872.db2.gz NYTKNOXXCBKJDK-HNNXBMFYSA-N 2 1 315.421 2.720 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000564545348 302140343 /nfs/dbraw/zinc/14/03/43/302140343.db2.gz GATMECMJCAYWAW-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000564545348 302140345 /nfs/dbraw/zinc/14/03/45/302140345.db2.gz GATMECMJCAYWAW-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000564545348 302140348 /nfs/dbraw/zinc/14/03/48/302140348.db2.gz GATMECMJCAYWAW-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP COc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000564662026 302148563 /nfs/dbraw/zinc/14/85/63/302148563.db2.gz VBBPZFXZQGFFFQ-UHFFFAOYSA-N 2 1 322.452 2.942 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000564845975 302163861 /nfs/dbraw/zinc/16/38/61/302163861.db2.gz YAQWLAREBHYPLC-ROUUACIJSA-N 2 1 320.477 2.671 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000564853153 302164469 /nfs/dbraw/zinc/16/44/69/302164469.db2.gz AZRZIBAEYGQJGT-GOSISDBHSA-N 2 1 301.434 2.555 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564960178 302176783 /nfs/dbraw/zinc/17/67/83/302176783.db2.gz BGNUFUPSQNOAFF-SFHVURJKSA-N 2 1 310.445 2.739 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564960178 302176784 /nfs/dbraw/zinc/17/67/84/302176784.db2.gz BGNUFUPSQNOAFF-SFHVURJKSA-N 2 1 310.445 2.739 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000564989342 302179687 /nfs/dbraw/zinc/17/96/87/302179687.db2.gz KQHUYNRPNQNASK-INIZCTEOSA-N 2 1 310.825 2.718 20 0 DFADMP C[C@@H]1C[C@H](NC2CC([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000565218803 302208702 /nfs/dbraw/zinc/20/87/02/302208702.db2.gz PCKPQNRBTDVMCO-BJMVHTGZSA-N 2 1 301.478 2.722 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@H]3CCCO3)CC23CC3)cc1 ZINC000565304464 302216906 /nfs/dbraw/zinc/21/69/06/302216906.db2.gz ZBYFCQLLEBUACA-QZTJIDSGSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@H]3CCCO3)CC23CC3)cc1 ZINC000565304464 302216908 /nfs/dbraw/zinc/21/69/08/302216908.db2.gz ZBYFCQLLEBUACA-QZTJIDSGSA-N 2 1 300.446 2.952 20 0 DFADMP O[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000565898504 302247783 /nfs/dbraw/zinc/24/77/83/302247783.db2.gz RVOMBLHXCIMFJI-BHIYHBOVSA-N 2 1 317.477 2.577 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000566217204 302268187 /nfs/dbraw/zinc/26/81/87/302268187.db2.gz NCEYRAYTDCHYLN-CQSZACIVSA-N 2 1 315.442 2.791 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@@H](C)C1 ZINC000566220325 302268711 /nfs/dbraw/zinc/26/87/11/302268711.db2.gz JPVOBCVKJFCOME-NXOAAHMSSA-N 2 1 300.462 2.994 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000566426228 302285216 /nfs/dbraw/zinc/28/52/16/302285216.db2.gz QKDIKPZFPPGFDD-UHFFFAOYSA-N 2 1 316.424 2.704 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000566426228 302285219 /nfs/dbraw/zinc/28/52/19/302285219.db2.gz QKDIKPZFPPGFDD-UHFFFAOYSA-N 2 1 316.424 2.704 20 0 DFADMP Oc1cccnc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566535144 302293513 /nfs/dbraw/zinc/29/35/13/302293513.db2.gz VICQCUXWUWFCDX-ZWKOTPCHSA-N 2 1 323.440 2.741 20 0 DFADMP Oc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566535144 302293516 /nfs/dbraw/zinc/29/35/16/302293516.db2.gz VICQCUXWUWFCDX-ZWKOTPCHSA-N 2 1 323.440 2.741 20 0 DFADMP Oc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566535144 302293518 /nfs/dbraw/zinc/29/35/18/302293518.db2.gz VICQCUXWUWFCDX-ZWKOTPCHSA-N 2 1 323.440 2.741 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000567408144 302357109 /nfs/dbraw/zinc/35/71/09/302357109.db2.gz YAXHXPNURFOUIT-GOSISDBHSA-N 2 1 303.494 2.623 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000567561247 302368172 /nfs/dbraw/zinc/36/81/72/302368172.db2.gz ZIRSUDLRGDJZBN-IBGZPJMESA-N 2 1 308.429 2.671 20 0 DFADMP COc1cc(F)c(C[NH2+]CCCCn2cc[nH+]c2C)cc1OC ZINC000567595145 302371725 /nfs/dbraw/zinc/37/17/25/302371725.db2.gz VLAJMIRLSQDXMT-UHFFFAOYSA-N 2 1 321.396 2.918 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000567642517 302375852 /nfs/dbraw/zinc/37/58/52/302375852.db2.gz OHGBHOHOUDIXHW-COXVUDFISA-N 2 1 309.885 2.920 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])c2ccccc21 ZINC000567648427 302376385 /nfs/dbraw/zinc/37/63/85/302376385.db2.gz QGCHHVPNEQLIEL-ULQDDVLXSA-N 2 1 301.434 2.734 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCO[C@@H]2CCCCO2)CC1 ZINC000185193334 316182579 /nfs/dbraw/zinc/18/25/79/316182579.db2.gz MZLALYSFGVPXHO-GOSISDBHSA-N 2 1 312.498 2.974 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185678943 316190088 /nfs/dbraw/zinc/19/00/88/316190088.db2.gz ZATOPHKBJRLVEA-YHUYYLMFSA-N 2 1 309.498 2.532 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678943 316190092 /nfs/dbraw/zinc/19/00/92/316190092.db2.gz ZATOPHKBJRLVEA-YHUYYLMFSA-N 2 1 309.498 2.532 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735701 316191449 /nfs/dbraw/zinc/19/14/49/316191449.db2.gz YIEKIMBPTZNSAJ-OWCLPIDISA-N 2 1 323.525 2.922 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735701 316191452 /nfs/dbraw/zinc/19/14/52/316191452.db2.gz YIEKIMBPTZNSAJ-OWCLPIDISA-N 2 1 323.525 2.922 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185735662 316191515 /nfs/dbraw/zinc/19/15/15/316191515.db2.gz YIEKIMBPTZNSAJ-HRCADAONSA-N 2 1 323.525 2.922 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185735662 316191519 /nfs/dbraw/zinc/19/15/19/316191519.db2.gz YIEKIMBPTZNSAJ-HRCADAONSA-N 2 1 323.525 2.922 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)NC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749771 316191638 /nfs/dbraw/zinc/19/16/38/316191638.db2.gz HEKGKQKZRAETCX-CVEARBPZSA-N 2 1 321.509 2.678 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](CC[NH3+])C1)O[C@@H](C)C2 ZINC000317068391 316246911 /nfs/dbraw/zinc/24/69/11/316246911.db2.gz ZJTOESVPZZCNPJ-UONOGXRCSA-N 2 1 304.434 2.579 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]12 ZINC000319392015 316251388 /nfs/dbraw/zinc/25/13/88/316251388.db2.gz DEXRNEBNUVKPNC-VHDGCEQUSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]12 ZINC000319392015 316251391 /nfs/dbraw/zinc/25/13/91/316251391.db2.gz DEXRNEBNUVKPNC-VHDGCEQUSA-N 2 1 301.365 2.650 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000321410382 316256564 /nfs/dbraw/zinc/25/65/64/316256564.db2.gz UDPOUMQYBAWEAW-WMZOPIPTSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000321410356 316256768 /nfs/dbraw/zinc/25/67/68/316256768.db2.gz UDPOUMQYBAWEAW-AEFFLSMTSA-N 2 1 323.525 2.591 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2OC)N(C)C)[C@@H](C)C1 ZINC000345248266 316316660 /nfs/dbraw/zinc/31/66/60/316316660.db2.gz KDYHZYBPYHDWBQ-SZMVWBNQSA-N 2 1 319.493 2.618 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414740383 316645016 /nfs/dbraw/zinc/64/50/16/316645016.db2.gz LFMUYOJJFXMZQU-CVEARBPZSA-N 3 1 303.450 2.621 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000414789936 316658070 /nfs/dbraw/zinc/65/80/70/316658070.db2.gz GATQNPJHFBCBPT-IINYFYTJSA-N 2 1 313.239 2.675 20 0 DFADMP COC1([C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCC1 ZINC000421840600 316773325 /nfs/dbraw/zinc/77/33/25/316773325.db2.gz ZYUHNMYYONAKJQ-MRXNPFEDSA-N 2 1 310.482 2.569 20 0 DFADMP COC1([C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCCC1 ZINC000421846396 316774262 /nfs/dbraw/zinc/77/42/62/316774262.db2.gz SHSLHBIJXOZWSG-KRWDZBQOSA-N 2 1 324.509 2.959 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000425432247 316794633 /nfs/dbraw/zinc/79/46/33/316794633.db2.gz KEEKVIXQNNPEGX-YESZJQIVSA-N 2 1 323.525 2.876 20 0 DFADMP COCC(COC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449547446 317040479 /nfs/dbraw/zinc/04/04/79/317040479.db2.gz YAUYVGMXXJNZIU-UHFFFAOYSA-N 2 1 314.514 2.917 20 0 DFADMP COc1cc2c(c(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c1)O[C@@H](C)C2 ZINC000449556768 317043361 /nfs/dbraw/zinc/04/33/61/317043361.db2.gz OJJXTXBABAIMHK-RJCAOGMDSA-N 2 1 316.445 2.733 20 0 DFADMP C[N@@H+](CCN1CCC[C@@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000450264197 317077805 /nfs/dbraw/zinc/07/78/05/317077805.db2.gz FFJFUCWOBTWZGB-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP C[N@@H+](CCN1CCC[C@H]([NH+]2CCCC2)C1)Cc1ccccc1 ZINC000450264196 317077902 /nfs/dbraw/zinc/07/79/02/317077902.db2.gz FFJFUCWOBTWZGB-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000450384504 317088479 /nfs/dbraw/zinc/08/84/79/317088479.db2.gz BOFAARXQOBEEPG-CLOLKSBNSA-N 2 1 313.489 2.802 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000450503449 317100740 /nfs/dbraw/zinc/10/07/40/317100740.db2.gz XPILOZQZZISAEN-MNEFBYGVSA-N 2 1 312.413 2.699 20 0 DFADMP COC1([C@H](C)[NH2+]CCC[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000453077882 317159965 /nfs/dbraw/zinc/15/99/65/317159965.db2.gz ISPWMLJATJRLGN-KRWDZBQOSA-N 2 1 320.477 2.682 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453200009 317168032 /nfs/dbraw/zinc/16/80/32/317168032.db2.gz UDHFERSWYVFDIH-PMACEKPBSA-N 2 1 314.473 2.922 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)s1 ZINC000453353274 317179556 /nfs/dbraw/zinc/17/95/56/317179556.db2.gz NPTQPQMOMZZFES-PRTUASRFSA-N 2 1 323.506 2.916 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)s1 ZINC000453353274 317179560 /nfs/dbraw/zinc/17/95/60/317179560.db2.gz NPTQPQMOMZZFES-PRTUASRFSA-N 2 1 323.506 2.916 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+]CCCC[N@H+](C)C2CC2)nn1 ZINC000453592451 317192178 /nfs/dbraw/zinc/19/21/78/317192178.db2.gz FFPFBQSFHCNDCO-UHFFFAOYSA-N 2 1 313.449 2.540 20 0 DFADMP C([NH2+]C1CCN(C2CC2)CC1)C1(N2CCSCC2)CCCC1 ZINC000459368394 317322776 /nfs/dbraw/zinc/32/27/76/317322776.db2.gz FTEKVSSFQRUJAR-UHFFFAOYSA-N 2 1 323.550 2.564 20 0 DFADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488357985 317386574 /nfs/dbraw/zinc/38/65/74/317386574.db2.gz QTABLNZPZQVYAP-FUHWJXTLSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@H]1C[C@@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488357985 317386577 /nfs/dbraw/zinc/38/65/77/317386577.db2.gz QTABLNZPZQVYAP-FUHWJXTLSA-N 3 1 307.526 2.771 20 0 DFADMP C[C@H]1C[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488357985 317386580 /nfs/dbraw/zinc/38/65/80/317386580.db2.gz QTABLNZPZQVYAP-FUHWJXTLSA-N 3 1 307.526 2.771 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC[C@@H](C)C1 ZINC000488397188 317389575 /nfs/dbraw/zinc/38/95/75/317389575.db2.gz LBLBCMKSNDHWJC-ZDUSSCGKSA-N 2 1 302.447 2.761 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488418664 317391897 /nfs/dbraw/zinc/39/18/97/317391897.db2.gz NSWSTILMHJBQLR-IAGOWNOFSA-N 2 1 314.539 2.996 20 0 DFADMP C[C@@H]1C[C@@H]1C[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000488436967 317393382 /nfs/dbraw/zinc/39/33/82/317393382.db2.gz CNQDKPDLGGPQFA-QRQLOZEOSA-N 2 1 301.478 2.611 20 0 DFADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CS1 ZINC000488454338 317394349 /nfs/dbraw/zinc/39/43/49/317394349.db2.gz YGUUZTKJKRGOEX-XHSDSOJGSA-N 2 1 314.539 2.733 20 0 DFADMP Cc1nn2c(C[NH2+]C[C@@H](C)C[NH+](C)C)c(C(C)C)nc2s1 ZINC000491596077 317586647 /nfs/dbraw/zinc/58/66/47/317586647.db2.gz HEGODHLRZTUKES-LLVKDONJSA-N 2 1 309.483 2.510 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccncc2Cl)c1 ZINC000527641672 317753837 /nfs/dbraw/zinc/75/38/37/317753837.db2.gz UZSLBAFCMNBWAH-UHFFFAOYSA-N 2 1 319.836 2.965 20 0 DFADMP COc1ccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000530222619 317776661 /nfs/dbraw/zinc/77/66/61/317776661.db2.gz SKXRENUBBFLYAK-ROUUACIJSA-N 2 1 311.429 2.716 20 0 DFADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000530226527 317777145 /nfs/dbraw/zinc/77/71/45/317777145.db2.gz RRTFCPQZIMAPCT-BZSNNMDCSA-N 2 1 307.397 2.548 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000572066960 318000430 /nfs/dbraw/zinc/00/04/30/318000430.db2.gz JJWRWQQOEVOYQB-IAGOWNOFSA-N 2 1 323.525 2.593 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000572751414 318002396 /nfs/dbraw/zinc/00/23/96/318002396.db2.gz HFUZMACKYZROSV-INIZCTEOSA-N 2 1 303.450 2.583 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574630792 318029428 /nfs/dbraw/zinc/02/94/28/318029428.db2.gz WXTPNFRQUBLXMN-SQNIBIBYSA-N 2 1 315.461 2.552 20 0 DFADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000574778118 318040449 /nfs/dbraw/zinc/04/04/49/318040449.db2.gz NGTKEAPZFKASNN-IPMKNSEASA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000574778118 318040450 /nfs/dbraw/zinc/04/04/50/318040450.db2.gz NGTKEAPZFKASNN-IPMKNSEASA-N 2 1 302.462 2.648 20 0 DFADMP CCc1noc(C2CCC([NH2+]C[C@H]3CC[N@H+](C(C)C)C3)CC2)n1 ZINC000574944501 318052118 /nfs/dbraw/zinc/05/21/18/318052118.db2.gz RHGLLJXYUIXLCO-QQFBHYJXSA-N 2 1 320.481 2.978 20 0 DFADMP C[N@@H+](C[C@@H](O)CN1CCC(c2cccc(F)c2F)CC1)C1CC1 ZINC000574962137 318053203 /nfs/dbraw/zinc/05/32/03/318053203.db2.gz LJHIWEDOZNXJJS-OAHLLOKOSA-N 2 1 324.415 2.599 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000575134654 318066012 /nfs/dbraw/zinc/06/60/12/318066012.db2.gz FEBFBQQNEAIWGY-AWEZNQCLSA-N 2 1 304.425 2.637 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000575192634 318069515 /nfs/dbraw/zinc/06/95/15/318069515.db2.gz IUWZFISWDYCLOV-MRXNPFEDSA-N 2 1 319.474 2.908 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000575450157 318077711 /nfs/dbraw/zinc/07/77/11/318077711.db2.gz SRIUOTNCBUVVRY-NXHRZFHOSA-N 2 1 323.525 2.780 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2(C)CCCC2)CC1 ZINC000575950361 318093873 /nfs/dbraw/zinc/09/38/73/318093873.db2.gz YUMDZPSCMIHLNV-UHFFFAOYSA-N 2 1 316.449 2.742 20 0 DFADMP O=C(CC[NH2+]C1CC[NH+](C2CC2)CC1)Nc1ccc(Cl)cc1 ZINC000576628108 318138868 /nfs/dbraw/zinc/13/88/68/318138868.db2.gz OAXGQUPVKPIXTM-UHFFFAOYSA-N 2 1 321.852 2.885 20 0 DFADMP CC[C@H]([NH2+]CCc1cccc(OC)c1OC)[C@@H]1CCCC[NH2+]1 ZINC000577214439 318178621 /nfs/dbraw/zinc/17/86/21/318178621.db2.gz TUMIKXVOJXMORZ-HOTGVXAUSA-N 2 1 306.450 2.757 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000577239753 318180767 /nfs/dbraw/zinc/18/07/67/318180767.db2.gz ZFHIUADLIMJENQ-ROUUACIJSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC000577287066 318183213 /nfs/dbraw/zinc/18/32/13/318183213.db2.gz UMQMGDXWVKYSOO-GFCCVEGCSA-N 2 1 309.841 2.728 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577364547 318187886 /nfs/dbraw/zinc/18/78/86/318187886.db2.gz JJMVQMJVUOFRMD-QGZVFWFLSA-N 2 1 316.449 2.676 20 0 DFADMP CC[N@@H+]1C[C@@H](C)N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)[C@@H](C)C1 ZINC000577507078 318198087 /nfs/dbraw/zinc/19/80/87/318198087.db2.gz OYHLUNMIEQRTPS-JZXOWHBKSA-N 2 1 317.477 2.621 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000577602102 318204164 /nfs/dbraw/zinc/20/41/64/318204164.db2.gz SPBMSNFHJPCYDR-GUYCJALGSA-N 2 1 321.852 2.674 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1nc(-c2ccncc2)cs1 ZINC000577840105 318220381 /nfs/dbraw/zinc/22/03/81/318220381.db2.gz KZHNEJGLNQCBII-UBHSHLNASA-N 2 1 302.447 2.983 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000577951722 318227911 /nfs/dbraw/zinc/22/79/11/318227911.db2.gz MUGCWWJTJXIIMB-KRWDZBQOSA-N 2 1 301.434 2.535 20 0 DFADMP Cc1cccc(CCN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000578234269 318247427 /nfs/dbraw/zinc/24/74/27/318247427.db2.gz SJFCIWIEIBAHMP-BGYRXZFFSA-N 2 1 321.468 2.996 20 0 DFADMP Cc1cccc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000578234269 318247429 /nfs/dbraw/zinc/24/74/29/318247429.db2.gz SJFCIWIEIBAHMP-BGYRXZFFSA-N 2 1 321.468 2.996 20 0 DFADMP Cc1cccc(CC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000578234269 318247433 /nfs/dbraw/zinc/24/74/33/318247433.db2.gz SJFCIWIEIBAHMP-BGYRXZFFSA-N 2 1 321.468 2.996 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cncc(Br)c1 ZINC000578523657 318267149 /nfs/dbraw/zinc/26/71/49/318267149.db2.gz KKFDINKARDKPEK-GHMZBOCLSA-N 2 1 300.244 2.835 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000578832260 318287548 /nfs/dbraw/zinc/28/75/48/318287548.db2.gz JSXIIOQWNXFGLT-BRIYLRKRSA-N 2 1 300.446 2.664 20 0 DFADMP Cc1noc(C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)n1 ZINC000578857554 318290268 /nfs/dbraw/zinc/29/02/68/318290268.db2.gz IIMFCIKAEUMAQU-FCLJQHQZSA-N 2 1 312.417 2.534 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+][C@H](C[NH3+])C3CCCC3)s2)cn1 ZINC000579208219 318314332 /nfs/dbraw/zinc/31/43/32/318314332.db2.gz JSUMTPUGVMGWGO-OAHLLOKOSA-N 2 1 304.463 2.756 20 0 DFADMP COCc1cccc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)c1 ZINC000579254591 318318113 /nfs/dbraw/zinc/31/81/13/318318113.db2.gz OMNGXKPCPXCCBT-MRXNPFEDSA-N 2 1 318.461 2.518 20 0 DFADMP COCc1cccc(CN2CCC([N@H+]3CCOC[C@H]3C)CC2)c1 ZINC000579254591 318318115 /nfs/dbraw/zinc/31/81/15/318318115.db2.gz OMNGXKPCPXCCBT-MRXNPFEDSA-N 2 1 318.461 2.518 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000382717852 323301329 /nfs/dbraw/zinc/30/13/29/323301329.db2.gz IIPVDUJTYQHGAC-HBFSDRIKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000382719073 323301432 /nfs/dbraw/zinc/30/14/32/323301432.db2.gz JSBZYTIQIUDRJM-QZTJIDSGSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC[C@H]1CC[NH2+]C1 ZINC000382719073 323301436 /nfs/dbraw/zinc/30/14/36/323301436.db2.gz JSBZYTIQIUDRJM-QZTJIDSGSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[C@H]1CC[NH2+]C1 ZINC000382719073 323301439 /nfs/dbraw/zinc/30/14/39/323301439.db2.gz JSBZYTIQIUDRJM-QZTJIDSGSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1CCN(CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000382735028 323302224 /nfs/dbraw/zinc/30/22/24/323302224.db2.gz GWRFPXPVGILFCY-KRWDZBQOSA-N 2 1 303.494 2.971 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000382767252 323302611 /nfs/dbraw/zinc/30/26/11/323302611.db2.gz WUAKCCQSVFFONR-ROUUACIJSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758240 323302741 /nfs/dbraw/zinc/30/27/41/323302741.db2.gz STAYUUDQHRPBJC-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758240 323302743 /nfs/dbraw/zinc/30/27/43/323302743.db2.gz STAYUUDQHRPBJC-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758240 323302748 /nfs/dbraw/zinc/30/27/48/323302748.db2.gz STAYUUDQHRPBJC-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758240 323302750 /nfs/dbraw/zinc/30/27/50/323302750.db2.gz STAYUUDQHRPBJC-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758240 323302753 /nfs/dbraw/zinc/30/27/53/323302753.db2.gz STAYUUDQHRPBJC-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000383052266 323303406 /nfs/dbraw/zinc/30/34/06/323303406.db2.gz UNVSYVDAKWYUJG-WFASDCNBSA-N 2 1 311.267 2.921 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386573008 323319631 /nfs/dbraw/zinc/31/96/31/323319631.db2.gz MHHPGCXAJBCADQ-UHOSZYNNSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000386854929 323320811 /nfs/dbraw/zinc/32/08/11/323320811.db2.gz IPOHAMXOZJTQAU-ROUUACIJSA-N 2 1 301.478 2.901 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000386854929 323320813 /nfs/dbraw/zinc/32/08/13/323320813.db2.gz IPOHAMXOZJTQAU-ROUUACIJSA-N 2 1 301.478 2.901 20 0 DFADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388747040 323332174 /nfs/dbraw/zinc/33/21/74/323332174.db2.gz DGGIJYKREKUWSB-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000398200965 323357009 /nfs/dbraw/zinc/35/70/09/323357009.db2.gz PMVXEASPAIHDRF-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000398200965 323357012 /nfs/dbraw/zinc/35/70/12/323357012.db2.gz PMVXEASPAIHDRF-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000398200965 323357017 /nfs/dbraw/zinc/35/70/17/323357017.db2.gz PMVXEASPAIHDRF-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP c1cc2c(o1)CCC[C@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000581602837 323547135 /nfs/dbraw/zinc/54/71/35/323547135.db2.gz UULMNARCWRSXRR-OAHLLOKOSA-N 2 1 301.390 2.902 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000583929355 323936315 /nfs/dbraw/zinc/93/63/15/323936315.db2.gz DITRWVLJUQZFLY-RKVPGOIHSA-N 2 1 301.434 2.582 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3ccn(C)n3)C2)s1 ZINC000584354243 336077232 /nfs/dbraw/zinc/07/72/32/336077232.db2.gz GWRBEGPEEPOXSY-OAHLLOKOSA-N 2 1 318.490 2.744 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000584408164 337319542 /nfs/dbraw/zinc/31/95/42/337319542.db2.gz YXRLNSZGMXYION-ZWKOTPCHSA-N 2 1 323.525 2.911 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000584408161 337319613 /nfs/dbraw/zinc/31/96/13/337319613.db2.gz YXRLNSZGMXYION-MSOLQXFVSA-N 2 1 323.525 2.911 20 0 DFADMP COCCOc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000354178399 500813715 /nfs/dbraw/zinc/81/37/15/500813715.db2.gz WHLOEMIENYDODM-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000354178399 500813720 /nfs/dbraw/zinc/81/37/20/500813720.db2.gz WHLOEMIENYDODM-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000354178399 500813722 /nfs/dbraw/zinc/81/37/22/500813722.db2.gz WHLOEMIENYDODM-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000354178399 500813725 /nfs/dbraw/zinc/81/37/25/500813725.db2.gz WHLOEMIENYDODM-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310006360 534408547 /nfs/dbraw/zinc/40/85/47/534408547.db2.gz HWTJIVUCXINUBC-ZGXWSNOMSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310006360 534408554 /nfs/dbraw/zinc/40/85/54/534408554.db2.gz HWTJIVUCXINUBC-ZGXWSNOMSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310006360 534408566 /nfs/dbraw/zinc/40/85/66/534408566.db2.gz HWTJIVUCXINUBC-ZGXWSNOMSA-N 2 1 314.473 2.744 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000369399212 519683362 /nfs/dbraw/zinc/68/33/62/519683362.db2.gz SJJZDCVILCPNDS-ZGBFETHSSA-N 2 1 313.489 2.800 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cn1 ZINC000366028733 519717549 /nfs/dbraw/zinc/71/75/49/519717549.db2.gz GUAHIEHIUWNRRF-UHFFFAOYSA-N 2 1 316.449 2.537 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)ccc2F)C1 ZINC000354101336 520696017 /nfs/dbraw/zinc/69/60/17/520696017.db2.gz TVYHCURIRAXZFQ-MRXNPFEDSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)ccc2F)C1 ZINC000354101336 520696029 /nfs/dbraw/zinc/69/60/29/520696029.db2.gz TVYHCURIRAXZFQ-MRXNPFEDSA-N 2 1 312.404 2.898 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000154561722 521213991 /nfs/dbraw/zinc/21/39/91/521213991.db2.gz JONDZRHTQISKGS-PBHICJAKSA-N 2 1 319.449 2.536 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292847156 534547977 /nfs/dbraw/zinc/54/79/77/534547977.db2.gz SXDYWDJVSHYWGO-LJQANCHMSA-N 2 1 310.445 2.913 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000292847156 534547981 /nfs/dbraw/zinc/54/79/81/534547981.db2.gz SXDYWDJVSHYWGO-LJQANCHMSA-N 2 1 310.445 2.913 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292847156 534547988 /nfs/dbraw/zinc/54/79/88/534547988.db2.gz SXDYWDJVSHYWGO-LJQANCHMSA-N 2 1 310.445 2.913 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000292847156 534547993 /nfs/dbraw/zinc/54/79/93/534547993.db2.gz SXDYWDJVSHYWGO-LJQANCHMSA-N 2 1 310.445 2.913 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)CC1CCCC1)c1ccccc1 ZINC000158050788 522011810 /nfs/dbraw/zinc/01/18/10/522011810.db2.gz JXJBGGRNQPQZEU-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP Cc1cnn(CC[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000310219075 534741829 /nfs/dbraw/zinc/74/18/29/534741829.db2.gz FSPIDZROIXGFFX-WOJBJXKFSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1cnn(CC[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000310219075 534741832 /nfs/dbraw/zinc/74/18/32/534741832.db2.gz FSPIDZROIXGFFX-WOJBJXKFSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1cnn(CC[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000310219075 534741833 /nfs/dbraw/zinc/74/18/33/534741833.db2.gz FSPIDZROIXGFFX-WOJBJXKFSA-N 2 1 324.472 2.645 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000366002375 524003946 /nfs/dbraw/zinc/00/39/46/524003946.db2.gz VJBYCFOCSMZKMP-CQSZACIVSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000366002375 524003948 /nfs/dbraw/zinc/00/39/48/524003948.db2.gz VJBYCFOCSMZKMP-CQSZACIVSA-N 2 1 303.381 2.725 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367619521 524045560 /nfs/dbraw/zinc/04/55/60/524045560.db2.gz WTNZSARETGGDEN-IPMKNSEASA-N 2 1 318.461 2.674 20 0 DFADMP C[C@@H]1CC[C@H](C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)O1 ZINC000365074275 524669721 /nfs/dbraw/zinc/66/97/21/524669721.db2.gz VKXLPXQXRBVELW-VQIMIIECSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)O1 ZINC000365074275 524669731 /nfs/dbraw/zinc/66/97/31/524669731.db2.gz VKXLPXQXRBVELW-VQIMIIECSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154467348 524900526 /nfs/dbraw/zinc/90/05/26/524900526.db2.gz IROBPROVBZZVTM-PBHICJAKSA-N 2 1 312.461 2.731 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000365063440 525140847 /nfs/dbraw/zinc/14/08/47/525140847.db2.gz DARPNKVJRILELB-UHFFFAOYSA-N 2 1 315.505 2.989 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000366293727 525415748 /nfs/dbraw/zinc/41/57/48/525415748.db2.gz JCBOBIUYEAFWPC-ZENOOKHLSA-N 2 1 304.463 2.825 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1cnn(C)c1 ZINC000366293727 525415756 /nfs/dbraw/zinc/41/57/56/525415756.db2.gz JCBOBIUYEAFWPC-ZENOOKHLSA-N 2 1 304.463 2.825 20 0 DFADMP Cc1ccsc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354025402 525846005 /nfs/dbraw/zinc/84/60/05/525846005.db2.gz CYQYTDLPOZCZBW-JKSUJKDBSA-N 2 1 307.507 2.514 20 0 DFADMP Clc1sccc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000361506708 527014529 /nfs/dbraw/zinc/01/45/29/527014529.db2.gz BDKXHNQXAHUOPP-UHFFFAOYSA-N 2 1 314.882 2.946 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163311774 527399937 /nfs/dbraw/zinc/39/99/37/527399937.db2.gz AOUGWLJXVFRLJU-KRWDZBQOSA-N 2 1 300.406 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000163311774 527399943 /nfs/dbraw/zinc/39/99/43/527399943.db2.gz AOUGWLJXVFRLJU-KRWDZBQOSA-N 2 1 300.406 2.520 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000294928815 527837032 /nfs/dbraw/zinc/83/70/32/527837032.db2.gz IWQPTZHKSWXCIZ-RBUKOAKNSA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000294928815 527837038 /nfs/dbraw/zinc/83/70/38/527837038.db2.gz IWQPTZHKSWXCIZ-RBUKOAKNSA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000294928815 527837044 /nfs/dbraw/zinc/83/70/44/527837044.db2.gz IWQPTZHKSWXCIZ-RBUKOAKNSA-N 2 1 304.478 2.908 20 0 DFADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CCC[N@H+]3C)cc2)CC1 ZINC000299524987 528255746 /nfs/dbraw/zinc/25/57/46/528255746.db2.gz LYQKDBFTHKGQNR-SFHVURJKSA-N 2 1 315.461 2.951 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294997704 528557754 /nfs/dbraw/zinc/55/77/54/528557754.db2.gz IBLCWWLJNOXMLC-NUJGCVRESA-N 2 1 317.477 2.544 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309749466 528969861 /nfs/dbraw/zinc/96/98/61/528969861.db2.gz YZHMLDBARHFWCA-SZMVWBNQSA-N 2 1 317.477 2.531 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309749464 528970851 /nfs/dbraw/zinc/97/08/51/528970851.db2.gz YZHMLDBARHFWCA-NJAFHUGGSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N(C)C(C)C ZINC000361942154 534918020 /nfs/dbraw/zinc/91/80/20/534918020.db2.gz VHOWPOMXVXTLPP-CVEARBPZSA-N 2 1 320.481 2.726 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C)C(C)C ZINC000361942154 534918025 /nfs/dbraw/zinc/91/80/25/534918025.db2.gz VHOWPOMXVXTLPP-CVEARBPZSA-N 2 1 320.481 2.726 20 0 DFADMP CC(C)O[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000361238706 534926550 /nfs/dbraw/zinc/92/65/50/534926550.db2.gz QPYBFXNLCYVNBW-SJORKVTESA-N 2 1 324.509 2.813 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)C[C@H]3C)c2C1 ZINC000362716735 534999956 /nfs/dbraw/zinc/99/99/56/534999956.db2.gz NXTWNWZLFHOUHM-UKRRQHHQSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)C[C@H]3C)c2C1 ZINC000362716735 534999961 /nfs/dbraw/zinc/99/99/61/534999961.db2.gz NXTWNWZLFHOUHM-UKRRQHHQSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)c2C1 ZINC000362716735 534999965 /nfs/dbraw/zinc/99/99/65/534999965.db2.gz NXTWNWZLFHOUHM-UKRRQHHQSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)c2C1 ZINC000362716735 534999970 /nfs/dbraw/zinc/99/99/70/534999970.db2.gz NXTWNWZLFHOUHM-UKRRQHHQSA-N 2 1 301.434 2.548 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccoc2)[C@@H](C)C1 ZINC000361930928 535527315 /nfs/dbraw/zinc/52/73/15/535527315.db2.gz SQKPHDVKOOLSOJ-JZXOWHBKSA-N 2 1 308.466 2.937 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc3c2NCC3)C1 ZINC000261760703 535550841 /nfs/dbraw/zinc/55/08/41/535550841.db2.gz CXEZBDGYANLDNC-SFHVURJKSA-N 2 1 317.477 2.587 20 0 DFADMP CC[C@@H]1C[N@H+](CCNc2cc(C)[nH+]c3ccc(F)cc23)CCO1 ZINC000362682631 535854365 /nfs/dbraw/zinc/85/43/65/535854365.db2.gz FDNHQUAHBMNJMZ-OAHLLOKOSA-N 2 1 317.408 2.627 20 0 DFADMP CC[C@@H]1C[N@@H+](CCNc2cc(C)[nH+]c3ccc(F)cc23)CCO1 ZINC000362682631 535854369 /nfs/dbraw/zinc/85/43/69/535854369.db2.gz FDNHQUAHBMNJMZ-OAHLLOKOSA-N 2 1 317.408 2.627 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012205 535936499 /nfs/dbraw/zinc/93/64/99/535936499.db2.gz HDARLASBVKAQJM-CWRNSKLLSA-N 2 1 304.434 2.839 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012205 535936504 /nfs/dbraw/zinc/93/65/04/535936504.db2.gz HDARLASBVKAQJM-CWRNSKLLSA-N 2 1 304.434 2.839 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000247371682 536060487 /nfs/dbraw/zinc/06/04/87/536060487.db2.gz NWABBTYLJVLQPY-RTBURBONSA-N 2 1 319.468 2.989 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCN(CC(F)F)CC2)CCCCC1 ZINC000361345255 536113643 /nfs/dbraw/zinc/11/36/43/536113643.db2.gz ZKDWYGJVDNECAB-UHFFFAOYSA-N 2 1 303.441 2.570 20 0 DFADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000261764527 536747038 /nfs/dbraw/zinc/74/70/38/536747038.db2.gz DHRCNHDSRNMUOL-CYBMUJFWSA-N 2 1 324.490 2.857 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000261764527 536747042 /nfs/dbraw/zinc/74/70/42/536747042.db2.gz DHRCNHDSRNMUOL-CYBMUJFWSA-N 2 1 324.490 2.857 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000358266838 537098141 /nfs/dbraw/zinc/09/81/41/537098141.db2.gz NADKFIYIGNFGCH-OWCLPIDISA-N 2 1 306.450 2.640 20 0 DFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1(O)CCC1 ZINC000680650470 545524843 /nfs/dbraw/zinc/52/48/43/545524843.db2.gz LGZZXKUGYKSKCY-UHFFFAOYSA-N 2 1 318.461 2.508 20 0 DFADMP CC[N@H+]1C[C@H](NCc2c[nH]nc2-c2ccccc2F)[C@@H](C)C1 ZINC000680932858 545566111 /nfs/dbraw/zinc/56/61/11/545566111.db2.gz QBYKXEFHDGZKTC-LRDDRELGSA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2c[nH]nc2-c2ccccc2F)[C@@H](C)C1 ZINC000680932858 545566114 /nfs/dbraw/zinc/56/61/14/545566114.db2.gz QBYKXEFHDGZKTC-LRDDRELGSA-N 2 1 302.397 2.646 20 0 DFADMP Brc1ccsc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000680884433 545556806 /nfs/dbraw/zinc/55/68/06/545556806.db2.gz YGAMUXYLLLHNJQ-SECBINFHSA-N 2 1 312.236 2.812 20 0 DFADMP CCN(CCCN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)CC(F)(F)F ZINC000681209555 545611459 /nfs/dbraw/zinc/61/14/59/545611459.db2.gz SFGOPADVOZGPIN-HUUCEWRRSA-N 2 1 321.431 2.819 20 0 DFADMP CCN(CCCN1CCC[C@@H]1[C@H]1CCC[N@H+]1C)CC(F)(F)F ZINC000681209555 545611460 /nfs/dbraw/zinc/61/14/60/545611460.db2.gz SFGOPADVOZGPIN-HUUCEWRRSA-N 2 1 321.431 2.819 20 0 DFADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)C[C@H]1CCOc2ccccc21 ZINC000681915031 545753016 /nfs/dbraw/zinc/75/30/16/545753016.db2.gz VFUFPVGVNYEVNP-JKSUJKDBSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)C[C@H]1CCOc2ccccc21 ZINC000681915031 545753018 /nfs/dbraw/zinc/75/30/18/545753018.db2.gz VFUFPVGVNYEVNP-JKSUJKDBSA-N 2 1 311.429 2.944 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681927658 545754094 /nfs/dbraw/zinc/75/40/94/545754094.db2.gz LRQCVNNMTUEYGD-IXDOHACOSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681927658 545754099 /nfs/dbraw/zinc/75/40/99/545754099.db2.gz LRQCVNNMTUEYGD-IXDOHACOSA-N 2 1 305.466 2.973 20 0 DFADMP C[N@H+](CCc1cccc(F)c1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681928316 545754681 /nfs/dbraw/zinc/75/46/81/545754681.db2.gz ICLROSBVKOEZOZ-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1cccc(F)c1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681928316 545754686 /nfs/dbraw/zinc/75/46/86/545754686.db2.gz ICLROSBVKOEZOZ-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP C[C@@H]1C[N@H+](CCCNc2cc[nH+]c3c(O)cccc23)C[C@H](C)O1 ZINC000682238153 545822166 /nfs/dbraw/zinc/82/21/66/545822166.db2.gz KVZGKCOBHZBDEM-OKILXGFUSA-N 2 1 315.417 2.852 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000683227873 545991792 /nfs/dbraw/zinc/99/17/92/545991792.db2.gz AGOPEEQAQCXIKZ-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP CCn1c(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)nc2ccccc21 ZINC000683473046 546039669 /nfs/dbraw/zinc/03/96/69/546039669.db2.gz OTHWMVOWKPIBLC-CQSZACIVSA-N 2 1 309.417 2.605 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2ccc(-c3cccs3)cc2)CC1 ZINC000683519278 546049956 /nfs/dbraw/zinc/04/99/56/546049956.db2.gz NUUCRYSNSYWVEK-UHFFFAOYSA-N 2 1 316.470 2.961 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000683897408 546114786 /nfs/dbraw/zinc/11/47/86/546114786.db2.gz BKUNTNCZAYSMER-HNNXBMFYSA-N 2 1 300.406 2.929 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000684366738 546201447 /nfs/dbraw/zinc/20/14/47/546201447.db2.gz ZPPFRXQQKFYUHN-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP COc1cc2c(N[C@H](C)[C@@H]3C[N@H+](C)CCO3)cc[nH+]c2cc1F ZINC000684578633 546247543 /nfs/dbraw/zinc/24/75/43/546247543.db2.gz VDNJUIFPQVVSOV-DIFFPNOSSA-N 2 1 319.380 2.514 20 0 DFADMP COc1cc2c(N[C@H](C)[C@@H]3C[N@@H+](C)CCO3)cc[nH+]c2cc1F ZINC000684578633 546247544 /nfs/dbraw/zinc/24/75/44/546247544.db2.gz VDNJUIFPQVVSOV-DIFFPNOSSA-N 2 1 319.380 2.514 20 0 DFADMP C[C@H]1C[N@@H+](CCCNc2cc[nH+]c3c(O)cccc23)CCCO1 ZINC000684590198 546248787 /nfs/dbraw/zinc/24/87/87/546248787.db2.gz GHAFOTDHVGHXHK-AWEZNQCLSA-N 2 1 315.417 2.853 20 0 DFADMP CC1CC[NH+](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC1 ZINC000684851361 546293001 /nfs/dbraw/zinc/29/30/01/546293001.db2.gz YATQHDJWQMWVFJ-UHFFFAOYSA-N 2 1 324.428 2.918 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471118 546357724 /nfs/dbraw/zinc/35/77/24/546357724.db2.gz NCIFZMROXMLMNM-SOLBZPMBSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471118 546357726 /nfs/dbraw/zinc/35/77/26/546357726.db2.gz NCIFZMROXMLMNM-SOLBZPMBSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471118 546357728 /nfs/dbraw/zinc/35/77/28/546357728.db2.gz NCIFZMROXMLMNM-SOLBZPMBSA-N 2 1 300.446 2.969 20 0 DFADMP CN(CCC[N@@H+](C)C/C=C/c1ccc(F)cc1)CC[NH+](C)C ZINC000685475855 546358865 /nfs/dbraw/zinc/35/88/65/546358865.db2.gz QNZVULFDQAXBQO-FNORWQNLSA-N 2 1 307.457 2.654 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccccc1C1CC1)CC[NH+](C)C ZINC000685475861 546358914 /nfs/dbraw/zinc/35/89/14/546358914.db2.gz UFHWDIRWWARWBT-UHFFFAOYSA-N 2 1 303.494 2.879 20 0 DFADMP CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000685562021 546368057 /nfs/dbraw/zinc/36/80/57/546368057.db2.gz KCLILDVCFXHWMF-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000685562021 546368060 /nfs/dbraw/zinc/36/80/60/546368060.db2.gz KCLILDVCFXHWMF-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)C[NH+](CCc1ccc(F)cc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000685562021 546368065 /nfs/dbraw/zinc/36/80/65/546368065.db2.gz KCLILDVCFXHWMF-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)C[NH+](CCc1ccc(F)cc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685562021 546368069 /nfs/dbraw/zinc/36/80/69/546368069.db2.gz KCLILDVCFXHWMF-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP COc1ncc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000685576908 546370682 /nfs/dbraw/zinc/37/06/82/546370682.db2.gz MEBRTLLLXCEGJI-LBPRGKRZSA-N 2 1 320.824 2.635 20 0 DFADMP COc1ncc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000685576908 546370683 /nfs/dbraw/zinc/37/06/83/546370683.db2.gz MEBRTLLLXCEGJI-LBPRGKRZSA-N 2 1 320.824 2.635 20 0 DFADMP C[N@H+](CCc1cccc(F)c1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577912 546370725 /nfs/dbraw/zinc/37/07/25/546370725.db2.gz PIEVJYZQVQEZAM-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1cccc(F)c1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577912 546370727 /nfs/dbraw/zinc/37/07/27/546370727.db2.gz PIEVJYZQVQEZAM-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP C/C(=C/c1ccccc1OC(F)F)C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000685839040 546397141 /nfs/dbraw/zinc/39/71/41/546397141.db2.gz RAILCFPJIIPIEX-JAHBZWGTSA-N 2 1 308.372 2.843 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)Nc1ccncc1Br ZINC000685931612 546411278 /nfs/dbraw/zinc/41/12/78/546411278.db2.gz WLUSUEHAKJCOHD-NSHDSACASA-N 2 1 300.244 2.798 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)Nc1cc[nH+]cc1Br ZINC000685931612 546411280 /nfs/dbraw/zinc/41/12/80/546411280.db2.gz WLUSUEHAKJCOHD-NSHDSACASA-N 2 1 300.244 2.798 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)Nc1cc[nH+]cc1Br ZINC000685931612 546411282 /nfs/dbraw/zinc/41/12/82/546411282.db2.gz WLUSUEHAKJCOHD-NSHDSACASA-N 2 1 300.244 2.798 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000278343420 214102941 /nfs/dbraw/zinc/10/29/41/214102941.db2.gz AJZHCPWTHHANLH-BEFAXECRSA-N 2 1 320.452 2.847 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278356502 214111316 /nfs/dbraw/zinc/11/13/16/214111316.db2.gz QYHLMLUDYQATRS-CQSZACIVSA-N 2 1 307.413 2.548 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278356502 214111318 /nfs/dbraw/zinc/11/13/18/214111318.db2.gz QYHLMLUDYQATRS-CQSZACIVSA-N 2 1 307.413 2.548 20 0 DFADMP C=Cn1cc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cn1 ZINC000278374019 214124129 /nfs/dbraw/zinc/12/41/29/214124129.db2.gz LAHODOXQPFAJNO-MRXNPFEDSA-N 2 1 311.433 2.814 20 0 DFADMP C=Cn1cc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)cn1 ZINC000278374019 214124132 /nfs/dbraw/zinc/12/41/32/214124132.db2.gz LAHODOXQPFAJNO-MRXNPFEDSA-N 2 1 311.433 2.814 20 0 DFADMP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000278524397 214210824 /nfs/dbraw/zinc/21/08/24/214210824.db2.gz QSGZBAFTRMMXLU-CABCVRRESA-N 2 1 314.882 2.869 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296653 199278218 /nfs/dbraw/zinc/27/82/18/199278218.db2.gz FVJIYMIMZZVPIQ-GDBMZVCRSA-N 2 1 317.433 2.778 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000309691765 231102969 /nfs/dbraw/zinc/10/29/69/231102969.db2.gz JFHATDDJRUTCOO-RTBURBONSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000318004468 231166377 /nfs/dbraw/zinc/16/63/77/231166377.db2.gz GWIWZSAYEDEGOT-QWHCGFSZSA-N 2 1 320.462 2.647 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906433 398349118 /nfs/dbraw/zinc/34/91/18/398349118.db2.gz OFYKQWSGQXNCAV-WBVHZDCISA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906433 398349121 /nfs/dbraw/zinc/34/91/21/398349121.db2.gz OFYKQWSGQXNCAV-WBVHZDCISA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906433 398349123 /nfs/dbraw/zinc/34/91/23/398349123.db2.gz OFYKQWSGQXNCAV-WBVHZDCISA-N 2 1 318.465 2.620 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905707 398347923 /nfs/dbraw/zinc/34/79/23/398347923.db2.gz GXUUTXHFZXLTKB-NVXWUHKLSA-N 2 1 320.481 2.862 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905707 398347926 /nfs/dbraw/zinc/34/79/26/398347926.db2.gz GXUUTXHFZXLTKB-NVXWUHKLSA-N 2 1 320.481 2.862 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905707 398347929 /nfs/dbraw/zinc/34/79/29/398347929.db2.gz GXUUTXHFZXLTKB-NVXWUHKLSA-N 2 1 320.481 2.862 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905644 398347978 /nfs/dbraw/zinc/34/79/78/398347978.db2.gz FENKTGSUIOHQHH-BBRMVZONSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905644 398347982 /nfs/dbraw/zinc/34/79/82/398347982.db2.gz FENKTGSUIOHQHH-BBRMVZONSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905644 398347988 /nfs/dbraw/zinc/34/79/88/398347988.db2.gz FENKTGSUIOHQHH-BBRMVZONSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905012 398348602 /nfs/dbraw/zinc/34/86/02/398348602.db2.gz AVUNQFIGVGWREX-ZFWWWQNUSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905012 398348605 /nfs/dbraw/zinc/34/86/05/398348605.db2.gz AVUNQFIGVGWREX-ZFWWWQNUSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905012 398348608 /nfs/dbraw/zinc/34/86/08/398348608.db2.gz AVUNQFIGVGWREX-ZFWWWQNUSA-N 2 1 306.454 2.522 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591907203 398350193 /nfs/dbraw/zinc/35/01/93/398350193.db2.gz YYGMCJKNPGCXKJ-DZKIICNBSA-N 2 1 306.454 2.522 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591907203 398350195 /nfs/dbraw/zinc/35/01/95/398350195.db2.gz YYGMCJKNPGCXKJ-DZKIICNBSA-N 2 1 306.454 2.522 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591907203 398350197 /nfs/dbraw/zinc/35/01/97/398350197.db2.gz YYGMCJKNPGCXKJ-DZKIICNBSA-N 2 1 306.454 2.522 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]21 ZINC000230046250 398355660 /nfs/dbraw/zinc/35/56/60/398355660.db2.gz SCWRJXHIKDBGHR-MBNYWOFBSA-N 2 1 308.809 2.628 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]21 ZINC000230046250 398355662 /nfs/dbraw/zinc/35/56/62/398355662.db2.gz SCWRJXHIKDBGHR-MBNYWOFBSA-N 2 1 308.809 2.628 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000236652445 398362810 /nfs/dbraw/zinc/36/28/10/398362810.db2.gz GYZOALGXEDMZMG-AEFFLSMTSA-N 2 1 323.525 2.863 20 0 DFADMP CCC[NH+](CCC)CCC[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000236994810 398365815 /nfs/dbraw/zinc/36/58/15/398365815.db2.gz KFTPCGRDBOSEGS-UHFFFAOYSA-N 2 1 317.481 2.878 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH2+]C2CC2)cc1 ZINC000237351035 398369919 /nfs/dbraw/zinc/36/99/19/398369919.db2.gz VJLRIFKBZBXSSM-CQSZACIVSA-N 2 1 301.434 2.752 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)O ZINC000293017453 529585307 /nfs/dbraw/zinc/58/53/07/529585307.db2.gz ONSLTMMHNRQBJO-SFHVURJKSA-N 2 1 322.468 2.972 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000178295109 282214609 /nfs/dbraw/zinc/21/46/09/282214609.db2.gz DTEPEXDNXIFHLJ-RDJZCZTQSA-N 2 1 320.481 2.549 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000178295109 282214610 /nfs/dbraw/zinc/21/46/10/282214610.db2.gz DTEPEXDNXIFHLJ-RDJZCZTQSA-N 2 1 320.481 2.549 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044109 185279471 /nfs/dbraw/zinc/27/94/71/185279471.db2.gz UQBVXXCGUDTLJH-NFAWXSAZSA-N 2 1 318.440 2.573 20 0 DFADMP COc1cccc(OCCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090060610 185280029 /nfs/dbraw/zinc/28/00/29/185280029.db2.gz APLAOMZAHAFQLF-RKVPGOIHSA-N 2 1 306.450 2.782 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@@H]1SC ZINC000459374783 299090171 /nfs/dbraw/zinc/09/01/71/299090171.db2.gz MFSCVUUAZBHWEM-NXOAAHMSSA-N 2 1 314.539 2.997 20 0 DFADMP c1cn(Cc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cn1 ZINC000459375342 299090709 /nfs/dbraw/zinc/09/07/09/299090709.db2.gz ZBCSWZZDYLJZQT-UHFFFAOYSA-N 2 1 310.445 2.648 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2cncn2C)CC1 ZINC000459377581 299091837 /nfs/dbraw/zinc/09/18/37/299091837.db2.gz YHJQKVWHCVVEDQ-QGZVFWFLSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(O)c3)CC2)C[C@H](C)O1 ZINC000092587442 185327306 /nfs/dbraw/zinc/32/73/06/185327306.db2.gz XJWMCJMBRRPDJL-IYBDPMFKSA-N 2 1 318.461 2.713 20 0 DFADMP Cc1nn(C)c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000157610953 282259642 /nfs/dbraw/zinc/25/96/42/282259642.db2.gz LKJTXVDQCLFBMN-SFHVURJKSA-N 2 1 318.509 2.981 20 0 DFADMP Cc1nn(C)c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000157610953 282259643 /nfs/dbraw/zinc/25/96/43/282259643.db2.gz LKJTXVDQCLFBMN-SFHVURJKSA-N 2 1 318.509 2.981 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478134 199304005 /nfs/dbraw/zinc/30/40/05/199304005.db2.gz GPWJAMYXZMDWQH-ROUUACIJSA-N 2 1 316.445 2.536 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478134 199304007 /nfs/dbraw/zinc/30/40/07/199304007.db2.gz GPWJAMYXZMDWQH-ROUUACIJSA-N 2 1 316.445 2.536 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)OCc3ccccc3)CC[C@@H]21 ZINC000181478134 199304009 /nfs/dbraw/zinc/30/40/09/199304009.db2.gz GPWJAMYXZMDWQH-ROUUACIJSA-N 2 1 316.445 2.536 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000584827205 398417422 /nfs/dbraw/zinc/41/74/22/398417422.db2.gz OPMSNLKCBNTFGL-CQSZACIVSA-N 2 1 318.465 2.574 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262647579 398433588 /nfs/dbraw/zinc/43/35/88/398433588.db2.gz ABTUZYPDTQAROK-HQSKLWIPSA-N 2 1 321.509 2.678 20 0 DFADMP Cn1cc([C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)cn1 ZINC000585750639 398444587 /nfs/dbraw/zinc/44/45/87/398444587.db2.gz OHKCNULWBJVKQS-QGZVFWFLSA-N 2 1 321.428 2.985 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(=O)OC)[nH]2)CC1 ZINC000272763070 210168417 /nfs/dbraw/zinc/16/84/17/210168417.db2.gz QWBNWWMGOSBMAB-UHFFFAOYSA-N 2 1 321.465 2.745 20 0 DFADMP CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000585817137 398450139 /nfs/dbraw/zinc/45/01/39/398450139.db2.gz PVXJCSVSUYFBMX-FGTMMUONSA-N 2 1 322.518 2.743 20 0 DFADMP CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000585817137 398450143 /nfs/dbraw/zinc/45/01/43/398450143.db2.gz PVXJCSVSUYFBMX-FGTMMUONSA-N 2 1 322.518 2.743 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1SC ZINC000459453758 299110386 /nfs/dbraw/zinc/11/03/86/299110386.db2.gz SZUNEJAOPDICQT-YYIAUSFCSA-N 2 1 314.539 2.853 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cncs1 ZINC000272743157 210147394 /nfs/dbraw/zinc/14/73/94/210147394.db2.gz LJVGOFFNSOIEJK-XJKSGUPXSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cncs1 ZINC000272743157 210147397 /nfs/dbraw/zinc/14/73/97/210147397.db2.gz LJVGOFFNSOIEJK-XJKSGUPXSA-N 2 1 317.458 2.561 20 0 DFADMP O[C@H]1C[C@H](CNc2cc[nH+]cc2Cl)[N@H+](Cc2ccccc2)C1 ZINC000089643881 398461756 /nfs/dbraw/zinc/46/17/56/398461756.db2.gz CUWSPHVEPLHLJI-CABCVRRESA-N 2 1 317.820 2.782 20 0 DFADMP O[C@H]1C[C@H](CNc2cc[nH+]cc2Cl)[N@@H+](Cc2ccccc2)C1 ZINC000089643881 398461758 /nfs/dbraw/zinc/46/17/58/398461758.db2.gz CUWSPHVEPLHLJI-CABCVRRESA-N 2 1 317.820 2.782 20 0 DFADMP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459466169 299114019 /nfs/dbraw/zinc/11/40/19/299114019.db2.gz OSCLWSOCZSIQLX-HOTGVXAUSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459466169 299114022 /nfs/dbraw/zinc/11/40/22/299114022.db2.gz OSCLWSOCZSIQLX-HOTGVXAUSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459466169 299114027 /nfs/dbraw/zinc/11/40/27/299114027.db2.gz OSCLWSOCZSIQLX-HOTGVXAUSA-N 2 1 305.510 2.856 20 0 DFADMP CN(CCC[N@@H+](C)CCn1cc(Cl)cn1)Cc1ccco1 ZINC000459484950 299118286 /nfs/dbraw/zinc/11/82/86/299118286.db2.gz OMEOTYFHDUKPID-UHFFFAOYSA-N 2 1 310.829 2.583 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000052442094 282399998 /nfs/dbraw/zinc/39/99/98/282399998.db2.gz FOFTVZNFBNPURX-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000181779856 199350701 /nfs/dbraw/zinc/35/07/01/199350701.db2.gz YPKDLCZDSMPCRP-HOCLYGCPSA-N 2 1 306.450 2.709 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1 ZINC000090515077 398488079 /nfs/dbraw/zinc/48/80/79/398488079.db2.gz XQMFQWHYOLJPAO-FBJOKTGGSA-N 2 1 319.474 2.988 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccnc1 ZINC000090523907 398488244 /nfs/dbraw/zinc/48/82/44/398488244.db2.gz KEEXELJQVPMDFI-WBAXXEDZSA-N 2 1 303.450 2.500 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000272713139 210118226 /nfs/dbraw/zinc/11/82/26/210118226.db2.gz ADLGUAXTVAEXAS-ZDUSSCGKSA-N 2 1 300.406 2.891 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NCC[C@H]1CCC[NH+]1C ZINC000091075126 398508450 /nfs/dbraw/zinc/50/84/50/398508450.db2.gz QAUPHQBRZDZRGY-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)NCC[C@H]1CCC[N@@H+]1C ZINC000091075126 398508454 /nfs/dbraw/zinc/50/84/54/398508454.db2.gz QAUPHQBRZDZRGY-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)NCC[C@H]1CCC[N@H+]1C ZINC000091075126 398508457 /nfs/dbraw/zinc/50/84/57/398508457.db2.gz QAUPHQBRZDZRGY-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH+]3CCCC3)[C@@H]2C)c1C ZINC000286820190 219182025 /nfs/dbraw/zinc/18/20/25/219182025.db2.gz KIUKQVFBCNZXBR-RDJZCZTQSA-N 2 1 303.450 2.766 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCC[N@@H+]1C ZINC000091075126 398508461 /nfs/dbraw/zinc/50/84/61/398508461.db2.gz QAUPHQBRZDZRGY-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[C@H]1CCC[N@H+]1C ZINC000091075126 398508463 /nfs/dbraw/zinc/50/84/63/398508463.db2.gz QAUPHQBRZDZRGY-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459549653 299131789 /nfs/dbraw/zinc/13/17/89/299131789.db2.gz FWUWZXKUFOJORU-KRWDZBQOSA-N 2 1 300.450 2.518 20 0 DFADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1Cl ZINC000459558119 299133363 /nfs/dbraw/zinc/13/33/63/299133363.db2.gz HWOMKOOTKTYSMI-ZDUSSCGKSA-N 2 1 308.853 2.632 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459568356 299136968 /nfs/dbraw/zinc/13/69/68/299136968.db2.gz WQAPMROZRCFFBU-QGZVFWFLSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459568356 299136970 /nfs/dbraw/zinc/13/69/70/299136970.db2.gz WQAPMROZRCFFBU-QGZVFWFLSA-N 2 1 307.438 2.635 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2[C@H]2CCC[NH2+]2)c1C ZINC000316392952 398530618 /nfs/dbraw/zinc/53/06/18/398530618.db2.gz LBRNIHPUEGVLTI-NVXWUHKLSA-N 2 1 303.450 2.814 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000459585280 299141333 /nfs/dbraw/zinc/14/13/33/299141333.db2.gz JVWBDDBYYAZUDJ-USYVTKNRSA-N 2 1 314.473 2.790 20 0 DFADMP COC(=O)c1cnc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000414111664 295768727 /nfs/dbraw/zinc/76/87/27/295768727.db2.gz JCDAIZANJVNNPT-NSHDSACASA-N 2 1 322.434 2.566 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272620917 210021727 /nfs/dbraw/zinc/02/17/27/210021727.db2.gz YGCPONLMJIQDKU-YCVVXREPSA-N 2 1 300.446 2.664 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1)O[C@@H](C)C2 ZINC000318803093 398539777 /nfs/dbraw/zinc/53/97/77/398539777.db2.gz MWTJVJDGVHNLPP-XJKSGUPXSA-N 2 1 304.434 2.593 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)O[C@@H](C)C2 ZINC000318803093 398539780 /nfs/dbraw/zinc/53/97/80/398539780.db2.gz MWTJVJDGVHNLPP-XJKSGUPXSA-N 2 1 304.434 2.593 20 0 DFADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)c(C)c1 ZINC000319780811 398543928 /nfs/dbraw/zinc/54/39/28/398543928.db2.gz ZHDPRTKKSFVXTD-ROUUACIJSA-N 2 1 301.478 2.652 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000279790785 215149282 /nfs/dbraw/zinc/14/92/82/215149282.db2.gz CWAWAZMFMLSZKH-MRXNPFEDSA-N 2 1 310.445 2.755 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000279790785 215149285 /nfs/dbraw/zinc/14/92/85/215149285.db2.gz CWAWAZMFMLSZKH-MRXNPFEDSA-N 2 1 310.445 2.755 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279818754 215172705 /nfs/dbraw/zinc/17/27/05/215172705.db2.gz YAXQGVRYVLYOOP-PXNSSMCTSA-N 2 1 312.457 2.627 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000590184355 398604184 /nfs/dbraw/zinc/60/41/84/398604184.db2.gz IXKZQVISAOOGHK-JYJNAYRXSA-N 2 1 319.449 2.690 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCC[N@@H+](C)Cc2ccccc2)n1 ZINC000092891727 398604931 /nfs/dbraw/zinc/60/49/31/398604931.db2.gz LZQOUYVGQANUAZ-UHFFFAOYSA-N 2 1 322.416 2.515 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCC[N@H+](C)Cc2ccccc2)n1 ZINC000092891727 398604935 /nfs/dbraw/zinc/60/49/35/398604935.db2.gz LZQOUYVGQANUAZ-UHFFFAOYSA-N 2 1 322.416 2.515 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2)C1 ZINC000237479307 186295966 /nfs/dbraw/zinc/29/59/66/186295966.db2.gz VFNCLYNQUMBLCA-CZUORRHYSA-N 2 1 319.474 2.520 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2)C1 ZINC000237479307 186295967 /nfs/dbraw/zinc/29/59/67/186295967.db2.gz VFNCLYNQUMBLCA-CZUORRHYSA-N 2 1 319.474 2.520 20 0 DFADMP COc1cc(OC)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(OC)c1 ZINC000459726068 299174134 /nfs/dbraw/zinc/17/41/34/299174134.db2.gz GDMNSBQDQCYKPE-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP CCOc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000459731217 299174647 /nfs/dbraw/zinc/17/46/47/299174647.db2.gz KYDRXYAAOXZZKZ-HNNXBMFYSA-N 2 1 306.450 2.915 20 0 DFADMP COc1cc2c(c(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c1)O[C@H](C)C2 ZINC000459731305 299175082 /nfs/dbraw/zinc/17/50/82/299175082.db2.gz LKFMWKKSRHVBLO-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000459738493 299177551 /nfs/dbraw/zinc/17/75/51/299177551.db2.gz RVSVAHFRPKFNCA-IBGZPJMESA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000459738493 299177552 /nfs/dbraw/zinc/17/75/52/299177552.db2.gz RVSVAHFRPKFNCA-IBGZPJMESA-N 3 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000459738493 299177553 /nfs/dbraw/zinc/17/75/53/299177553.db2.gz RVSVAHFRPKFNCA-IBGZPJMESA-N 3 1 315.505 2.973 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844747 295825277 /nfs/dbraw/zinc/82/52/77/295825277.db2.gz LHQZUPHKKRBDSQ-CABCVRRESA-N 2 1 303.450 2.869 20 0 DFADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414848559 295825798 /nfs/dbraw/zinc/82/57/98/295825798.db2.gz PYZWCGIUTCSTSX-ZYHUDNBSSA-N 2 1 315.230 2.861 20 0 DFADMP [NH3+]C[C@H]([NH2+]C1CCN(c2nccs2)CC1)C1CCCCC1 ZINC000414852787 295826191 /nfs/dbraw/zinc/82/61/91/295826191.db2.gz RRTOTNUJBHQBFK-HNNXBMFYSA-N 2 1 308.495 2.609 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1c(C)nn(Cc2ccc(Cl)cc2)c1C ZINC000414858532 295827161 /nfs/dbraw/zinc/82/71/61/295827161.db2.gz JXEHQNMHPNTLFE-UHFFFAOYSA-N 2 1 320.868 2.901 20 0 DFADMP COCCOc1cccc(C[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000414860604 295827428 /nfs/dbraw/zinc/82/74/28/295827428.db2.gz PSWMRAPYYBNOCN-UHFFFAOYSA-N 2 1 306.450 2.853 20 0 DFADMP C[C@@H]([NH2+]Cc1sccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414859527 295827300 /nfs/dbraw/zinc/82/73/00/295827300.db2.gz ULBQEXVWRCKOGL-NXEZZACHSA-N 2 1 303.269 2.988 20 0 DFADMP COCCCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459746235 299180309 /nfs/dbraw/zinc/18/03/09/299180309.db2.gz ZDOHCBOPSKHGAV-KRWDZBQOSA-N 2 1 320.477 2.923 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)cnc21 ZINC000459746967 299180613 /nfs/dbraw/zinc/18/06/13/299180613.db2.gz ZITOCQJLPMLMFP-OAHLLOKOSA-N 2 1 315.465 2.834 20 0 DFADMP [NH3+][C@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)C1CC1 ZINC000414887511 295830460 /nfs/dbraw/zinc/83/04/60/295830460.db2.gz IXQLTDZHWVHPNM-GFCCVEGCSA-N 2 1 303.631 2.929 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+]C2CCC3(CCOCC3)CC2)c1 ZINC000414890462 295830693 /nfs/dbraw/zinc/83/06/93/295830693.db2.gz ZOOGJFGRFZMBQL-UHFFFAOYSA-N 2 1 317.477 2.890 20 0 DFADMP Cc1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000386762556 398664735 /nfs/dbraw/zinc/66/47/35/398664735.db2.gz FSLUZMGPNTUGHP-CVEARBPZSA-N 2 1 303.406 2.867 20 0 DFADMP Cc1c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000386762556 398664738 /nfs/dbraw/zinc/66/47/38/398664738.db2.gz FSLUZMGPNTUGHP-CVEARBPZSA-N 2 1 303.406 2.867 20 0 DFADMP C[C@@]1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CCC[NH2+]C1 ZINC000414911070 295833834 /nfs/dbraw/zinc/83/38/34/295833834.db2.gz TVUQYRNWEKCLAW-MRXNPFEDSA-N 2 1 302.447 2.684 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000414956182 295840552 /nfs/dbraw/zinc/84/05/52/295840552.db2.gz UZHBXPOZZUAJJZ-IUODEOHRSA-N 2 1 304.825 2.756 20 0 DFADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c1OC(F)F ZINC000414965842 295842130 /nfs/dbraw/zinc/84/21/30/295842130.db2.gz WAOFLSZAAMUWNA-AAEUAGOBSA-N 2 1 314.376 2.774 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786606 398674273 /nfs/dbraw/zinc/67/42/73/398674273.db2.gz HOJDWTGINVCPIF-SFHVURJKSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)CN(C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1)C1CC1 ZINC000590786506 398674291 /nfs/dbraw/zinc/67/42/91/398674291.db2.gz ZNXINPKYFJUJNO-UHFFFAOYSA-N 2 1 323.525 2.686 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc(Cl)c1OC ZINC000414978210 295843439 /nfs/dbraw/zinc/84/34/39/295843439.db2.gz SQQPMCZKURBPIP-CQSZACIVSA-N 2 1 312.841 2.835 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)ccc2o1 ZINC000172805681 198152561 /nfs/dbraw/zinc/15/25/61/198152561.db2.gz SWTYXFFNNXVXCY-CQSZACIVSA-N 2 1 316.401 2.603 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C[NH+](C)C)C3)ccc2o1 ZINC000172805681 198152562 /nfs/dbraw/zinc/15/25/62/198152562.db2.gz SWTYXFFNNXVXCY-CQSZACIVSA-N 2 1 316.401 2.603 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459780965 299190122 /nfs/dbraw/zinc/19/01/22/299190122.db2.gz MDGVUTBHNAQBHP-INIZCTEOSA-N 2 1 312.461 2.909 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414998397 295845670 /nfs/dbraw/zinc/84/56/70/295845670.db2.gz IXCASIJJXCFTGF-ZFWWWQNUSA-N 2 1 312.404 2.851 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459781800 299191327 /nfs/dbraw/zinc/19/13/27/299191327.db2.gz MMGHIHDVZUCIDI-WCXIOVBPSA-N 2 1 310.482 2.676 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)s1 ZINC000593734050 398679075 /nfs/dbraw/zinc/67/90/75/398679075.db2.gz SCLMNGSFAJVBQP-FZMZJTMJSA-N 2 1 310.463 2.792 20 0 DFADMP CCn1nccc1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000415006082 295846694 /nfs/dbraw/zinc/84/66/94/295846694.db2.gz PTYPUQJSAMDMKI-MAUKXSAKSA-N 2 1 316.424 2.525 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)ccc1SC ZINC000415007816 295846798 /nfs/dbraw/zinc/84/67/98/295846798.db2.gz RRHKUWREDWJMKR-GFCCVEGCSA-N 2 1 316.417 2.752 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277157662 213333952 /nfs/dbraw/zinc/33/39/52/213333952.db2.gz IZDBBMHKQHMCGI-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000397981314 398682214 /nfs/dbraw/zinc/68/22/14/398682214.db2.gz MQEQQBYYPACACJ-OXJNMPFZSA-N 2 1 320.440 2.953 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000397981314 398682220 /nfs/dbraw/zinc/68/22/20/398682220.db2.gz MQEQQBYYPACACJ-OXJNMPFZSA-N 2 1 320.440 2.953 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459789184 299193218 /nfs/dbraw/zinc/19/32/18/299193218.db2.gz QHESURUDEJSWOA-DLBZAZTESA-N 2 1 317.477 2.750 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1O ZINC000415043712 295850443 /nfs/dbraw/zinc/85/04/43/295850443.db2.gz BAZPFEIXNIGGKZ-CJNGLKHVSA-N 2 1 306.450 2.829 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459793548 299194624 /nfs/dbraw/zinc/19/46/24/299194624.db2.gz KWRISCOEWYTFMZ-ZWKOTPCHSA-N 2 1 305.466 2.845 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](O)[C@H](C2CCCC2)C1 ZINC000459793548 299194627 /nfs/dbraw/zinc/19/46/27/299194627.db2.gz KWRISCOEWYTFMZ-ZWKOTPCHSA-N 2 1 305.466 2.845 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000459797458 299196312 /nfs/dbraw/zinc/19/63/12/299196312.db2.gz WRCOGRASSUQHHU-CQSZACIVSA-N 2 1 304.463 2.755 20 0 DFADMP c1cc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000173593219 198230447 /nfs/dbraw/zinc/23/04/47/198230447.db2.gz UTAGCACOHWHZMY-QGZVFWFLSA-N 2 1 300.446 2.929 20 0 DFADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000173593219 198230449 /nfs/dbraw/zinc/23/04/49/198230449.db2.gz UTAGCACOHWHZMY-QGZVFWFLSA-N 2 1 300.446 2.929 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000401870360 398689139 /nfs/dbraw/zinc/68/91/39/398689139.db2.gz BLLUCVAOPBBQTC-QFACEVIFSA-N 2 1 300.446 2.664 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000415081086 295855651 /nfs/dbraw/zinc/85/56/51/295855651.db2.gz JZPBYQDOVJXBHG-VNHYZAJKSA-N 2 1 321.852 2.566 20 0 DFADMP C[C@@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415084108 295855779 /nfs/dbraw/zinc/85/57/79/295855779.db2.gz QZTDJWSNIQAPCZ-SJLPKXTDSA-N 3 1 301.478 2.629 20 0 DFADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415100723 295858190 /nfs/dbraw/zinc/85/81/90/295858190.db2.gz HBKOQTHTHOGBBI-AQNXPRMDSA-N 2 1 310.441 2.673 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174218894 198307145 /nfs/dbraw/zinc/30/71/45/198307145.db2.gz KIQGCXLYLRRNAZ-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460199395 299211299 /nfs/dbraw/zinc/21/12/99/299211299.db2.gz CFYUHUKYIMXPHH-QGZVFWFLSA-N 2 1 323.525 2.879 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277033765 213254121 /nfs/dbraw/zinc/25/41/21/213254121.db2.gz BHXDXHYHCQEAIY-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000277029101 213249482 /nfs/dbraw/zinc/24/94/82/213249482.db2.gz MGUZKZDNPZDILR-ZBFHGGJFSA-N 2 1 311.429 2.601 20 0 DFADMP Cc1cccc2c(N[C@H](C)[C@H](C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000462484129 299226177 /nfs/dbraw/zinc/22/61/77/299226177.db2.gz ISRDZCKFXZETHO-CVEARBPZSA-N 2 1 313.445 2.795 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131278352 283078442 /nfs/dbraw/zinc/07/84/42/283078442.db2.gz UUEKYDDNYFMCOM-XYJFISCASA-N 2 1 311.514 2.734 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353640728 283138763 /nfs/dbraw/zinc/13/87/63/283138763.db2.gz HNMKIXIMOPIHJM-SLHNCBLASA-N 2 1 314.473 2.615 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000081731699 192318008 /nfs/dbraw/zinc/31/80/08/192318008.db2.gz GSGQNJZYLMUIHT-RDJZCZTQSA-N 2 1 319.493 2.772 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000236940730 202082731 /nfs/dbraw/zinc/08/27/31/202082731.db2.gz ZALVROPWCZQSRI-FUHWJXTLSA-N 2 1 319.493 2.910 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1)C(C)C ZINC000236994193 202113368 /nfs/dbraw/zinc/11/33/68/202113368.db2.gz GHDHFBZUBDPYHB-HOTGVXAUSA-N 2 1 317.477 2.739 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000236995017 202114132 /nfs/dbraw/zinc/11/41/32/202114132.db2.gz UYIRWNLXTWPMPB-QGZVFWFLSA-N 2 1 317.477 2.646 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301726720 291114613 /nfs/dbraw/zinc/11/46/13/291114613.db2.gz NDQMKSJSWKBZMQ-GJZGRUSLSA-N 2 1 305.470 2.713 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@H](c2cccc(OC)c2)N(C)C)CC1 ZINC000121606610 398788199 /nfs/dbraw/zinc/78/81/99/398788199.db2.gz CRCZOVJVLMQZNN-LJQANCHMSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000127559796 283208140 /nfs/dbraw/zinc/20/81/40/283208140.db2.gz FUFNWKRXOFPPLP-IAGOWNOFSA-N 2 1 311.514 2.830 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@@H]21 ZINC000366328255 283208957 /nfs/dbraw/zinc/20/89/57/283208957.db2.gz ULTHHEQIRMGRAS-MSOLQXFVSA-N 2 1 323.525 2.831 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000276929694 213182890 /nfs/dbraw/zinc/18/28/90/213182890.db2.gz QOKGRRZPOWBKOU-HNNXBMFYSA-N 2 1 322.449 2.621 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000237167229 202173658 /nfs/dbraw/zinc/17/36/58/202173658.db2.gz RAWNKQJNDCJNKK-CYBMUJFWSA-N 2 1 303.406 2.635 20 0 DFADMP COCCOc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000237188956 202183641 /nfs/dbraw/zinc/18/36/41/202183641.db2.gz PZACHVRTVUSZMC-OAHLLOKOSA-N 2 1 317.433 2.643 20 0 DFADMP C[NH2+]CCCC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000237185257 202180042 /nfs/dbraw/zinc/18/00/42/202180042.db2.gz GQRIEOPEDUVFBI-INIZCTEOSA-N 2 1 317.477 2.534 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000237214491 202191998 /nfs/dbraw/zinc/19/19/98/202191998.db2.gz QXTYQMKTCSCMRD-UHFFFAOYSA-N 2 1 304.434 2.826 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000178662275 198906769 /nfs/dbraw/zinc/90/67/69/198906769.db2.gz ZWHJXEXPSUVMMV-DVOMOZLQSA-N 2 1 323.868 2.576 20 0 DFADMP NC(=O)[C@H]1CCC[N@H+](CCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000331442973 283267152 /nfs/dbraw/zinc/26/71/52/283267152.db2.gz VZDCGJCDHXBQRX-DZGCQCFKSA-N 2 1 305.422 2.884 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCc3occc32)C1 ZINC000331442973 283267155 /nfs/dbraw/zinc/26/71/55/283267155.db2.gz VZDCGJCDHXBQRX-DZGCQCFKSA-N 2 1 305.422 2.884 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000594495899 398809405 /nfs/dbraw/zinc/80/94/05/398809405.db2.gz FEDMNVCEPMNQLW-MZMPZRCHSA-N 2 1 316.445 2.923 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000594495899 398809408 /nfs/dbraw/zinc/80/94/08/398809408.db2.gz FEDMNVCEPMNQLW-MZMPZRCHSA-N 2 1 316.445 2.923 20 0 DFADMP CCSCC[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594495494 398809684 /nfs/dbraw/zinc/80/96/84/398809684.db2.gz AOCPOCXRYDWXJF-HOCLYGCPSA-N 2 1 300.512 2.751 20 0 DFADMP Clc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)n1 ZINC000075675885 398816850 /nfs/dbraw/zinc/81/68/50/398816850.db2.gz MGYBMZHYRCWYKQ-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000129066500 398833611 /nfs/dbraw/zinc/83/36/11/398833611.db2.gz WZJLVGJYYINRRX-VXGBXAGGSA-N 2 1 306.435 2.542 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000467403379 299272125 /nfs/dbraw/zinc/27/21/25/299272125.db2.gz JWCULMZQDXTKPR-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP CC1CC[NH+](CCN2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000152489490 283326334 /nfs/dbraw/zinc/32/63/34/283326334.db2.gz ZRAOGZPDFVIQCM-UHFFFAOYSA-N 2 1 315.505 2.926 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCC(F)(F)F)CC1 ZINC000152661227 283333498 /nfs/dbraw/zinc/33/34/98/283333498.db2.gz AKFRKZANIDVZAM-CYBMUJFWSA-N 2 1 310.404 2.744 20 0 DFADMP C[S@@](=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152689522 283335004 /nfs/dbraw/zinc/33/50/04/283335004.db2.gz GDXCAMIAUXATJX-QFIPXVFZSA-N 2 1 320.502 2.732 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]([NH3+])CC)c1 ZINC000130589693 398846522 /nfs/dbraw/zinc/84/65/22/398846522.db2.gz OAKAMHVUGPSRGT-QGZVFWFLSA-N 2 1 305.466 2.662 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000180406372 199155972 /nfs/dbraw/zinc/15/59/72/199155972.db2.gz ZMDABNAEOYVIJL-SPLOXXLWSA-N 2 1 308.491 2.947 20 0 DFADMP CS[C@H]1CCCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000134609741 398866600 /nfs/dbraw/zinc/86/66/00/398866600.db2.gz PBFUELYTWCWPPF-ROUUACIJSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@H]1CCCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000134609741 398866603 /nfs/dbraw/zinc/86/66/03/398866603.db2.gz PBFUELYTWCWPPF-ROUUACIJSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@H]1CCCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000134609741 398866605 /nfs/dbraw/zinc/86/66/05/398866605.db2.gz PBFUELYTWCWPPF-ROUUACIJSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@H]1CCCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000134609741 398866608 /nfs/dbraw/zinc/86/66/08/398866608.db2.gz PBFUELYTWCWPPF-ROUUACIJSA-N 2 1 322.518 2.697 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000594938439 398876717 /nfs/dbraw/zinc/87/67/17/398876717.db2.gz WDMFDGKIKWASSB-QMCVQRASSA-N 2 1 308.466 2.571 20 0 DFADMP CC[NH+](CC)Cc1ccc(CNc2cc[nH+]c(N(C)C)n2)cc1 ZINC000077187894 398885967 /nfs/dbraw/zinc/88/59/67/398885967.db2.gz XSOUBQUGNWSWIV-UHFFFAOYSA-N 2 1 313.449 2.997 20 0 DFADMP CC[NH+](CC)Cc1cccc(CNc2cc[nH+]c(N(C)C)n2)c1 ZINC000077191873 398886786 /nfs/dbraw/zinc/88/67/86/398886786.db2.gz WQKJVFKDBLTVOL-UHFFFAOYSA-N 2 1 313.449 2.997 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1(C(=O)OC(C)(C)C)CCC1 ZINC000594996736 398888472 /nfs/dbraw/zinc/88/84/72/398888472.db2.gz YXHRTKLQKBSOLU-UHFFFAOYSA-N 2 1 319.449 2.749 20 0 DFADMP CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000594993074 398887804 /nfs/dbraw/zinc/88/78/04/398887804.db2.gz ADMVDZYHAVZFCB-HUUCEWRRSA-N 2 1 308.466 2.715 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC)C2)c1C ZINC000598959328 398897786 /nfs/dbraw/zinc/89/77/86/398897786.db2.gz ILYDRVIRDQPCBI-OAHLLOKOSA-N 2 1 321.465 2.630 20 0 DFADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000598964301 398898524 /nfs/dbraw/zinc/89/85/24/398898524.db2.gz FEROVTRHIUVMHI-CJXDPKRBSA-N 2 1 300.512 2.529 20 0 DFADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000598964301 398898525 /nfs/dbraw/zinc/89/85/25/398898525.db2.gz FEROVTRHIUVMHI-CJXDPKRBSA-N 2 1 300.512 2.529 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(SCC)CC2)[C@H](C)C1 ZINC000595098228 398904584 /nfs/dbraw/zinc/90/45/84/398904584.db2.gz DZIINMKKZMTMGE-HZPDHXFCSA-N 2 1 314.539 2.999 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@H]2CCC[C@H]21 ZINC000595098123 398904845 /nfs/dbraw/zinc/90/48/45/398904845.db2.gz AUCJZVWRIQIZAG-OWCLPIDISA-N 2 1 322.493 2.961 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNc1cc[nH+]c(N(C)C)n1 ZINC000077486829 398905939 /nfs/dbraw/zinc/90/59/39/398905939.db2.gz XGOVVKGZLJQAED-UHFFFAOYSA-N 2 1 313.449 2.997 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000187120035 200064601 /nfs/dbraw/zinc/06/46/01/200064601.db2.gz IDZORUFPMBDUKJ-FFSVYQOJSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[N@H+]1C ZINC000187120035 200064603 /nfs/dbraw/zinc/06/46/03/200064603.db2.gz IDZORUFPMBDUKJ-FFSVYQOJSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[NH+]1C ZINC000187120035 200064605 /nfs/dbraw/zinc/06/46/05/200064605.db2.gz IDZORUFPMBDUKJ-FFSVYQOJSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[NH+]1C ZINC000187120035 200064607 /nfs/dbraw/zinc/06/46/07/200064607.db2.gz IDZORUFPMBDUKJ-FFSVYQOJSA-N 2 1 314.832 2.927 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000599054389 398913874 /nfs/dbraw/zinc/91/38/74/398913874.db2.gz KKCVMRZJQCAJIH-NXYGQSRBSA-N 2 1 322.493 2.820 20 0 DFADMP CC1(C)[C@H](O)C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000187679531 200143873 /nfs/dbraw/zinc/14/38/73/200143873.db2.gz AJYUYTBWVPILOA-QZTJIDSGSA-N 2 1 320.452 2.582 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)C[C@H]1C ZINC000599071633 398916941 /nfs/dbraw/zinc/91/69/41/398916941.db2.gz RQJDPVFZPKGJFM-LTIDMASMSA-N 2 1 310.482 2.676 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000237570258 202289084 /nfs/dbraw/zinc/28/90/84/202289084.db2.gz CDRGRKDFEZUIRS-DNVCBOLYSA-N 2 1 323.440 2.538 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417316258 296009341 /nfs/dbraw/zinc/00/93/41/296009341.db2.gz UDYBQYLACXZKTG-YESZJQIVSA-N 2 1 321.534 2.857 20 0 DFADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000417351465 296012799 /nfs/dbraw/zinc/01/27/99/296012799.db2.gz CRLWPTIOGWFUFS-SJLPKXTDSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417351465 296012801 /nfs/dbraw/zinc/01/28/01/296012801.db2.gz CRLWPTIOGWFUFS-SJLPKXTDSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000417351465 296012802 /nfs/dbraw/zinc/01/28/02/296012802.db2.gz CRLWPTIOGWFUFS-SJLPKXTDSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NCC2([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000417351463 296012830 /nfs/dbraw/zinc/01/28/30/296012830.db2.gz CRLWPTIOGWFUFS-AEFFLSMTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417351463 296012832 /nfs/dbraw/zinc/01/28/32/296012832.db2.gz CRLWPTIOGWFUFS-AEFFLSMTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000417351463 296012833 /nfs/dbraw/zinc/01/28/33/296012833.db2.gz CRLWPTIOGWFUFS-AEFFLSMTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417392168 296016282 /nfs/dbraw/zinc/01/62/82/296016282.db2.gz AZADCZJJKDAKDO-OBKDMQGPSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000417399567 296016897 /nfs/dbraw/zinc/01/68/97/296016897.db2.gz ILNOOIMMGNRGGH-CENDIDJXSA-N 2 1 314.473 2.933 20 0 DFADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000599296122 398949899 /nfs/dbraw/zinc/94/98/99/398949899.db2.gz SEYVJALJAPSQEY-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1ccc(F)cc1 ZINC000281287685 216211942 /nfs/dbraw/zinc/21/19/42/216211942.db2.gz JCRPHGIVINNPDI-UHFFFAOYSA-N 2 1 307.413 2.572 20 0 DFADMP CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@H](c2nccn2C)C1 ZINC000599340716 398956377 /nfs/dbraw/zinc/95/63/77/398956377.db2.gz YYQXPNXXPVSIDP-CABCVRRESA-N 2 1 321.465 2.966 20 0 DFADMP CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CC[C@H](c2nccn2C)C1 ZINC000599340717 398956225 /nfs/dbraw/zinc/95/62/25/398956225.db2.gz YYQXPNXXPVSIDP-GJZGRUSLSA-N 2 1 321.465 2.966 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000271901791 209309805 /nfs/dbraw/zinc/30/98/05/209309805.db2.gz VUXUBLVDJVCAMB-HNNXBMFYSA-N 2 1 313.445 2.726 20 0 DFADMP CC[C@@H](CO)[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000078523631 398964270 /nfs/dbraw/zinc/96/42/70/398964270.db2.gz RBCCAEQFVHSMIA-AWEZNQCLSA-N 2 1 319.836 2.781 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271848697 209265160 /nfs/dbraw/zinc/26/51/60/209265160.db2.gz IIFSNBJEMWHHGV-CYBMUJFWSA-N 2 1 321.852 2.909 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417808248 296053222 /nfs/dbraw/zinc/05/32/22/296053222.db2.gz JLDQSWHGNBFHHS-INIZCTEOSA-N 2 1 317.477 2.552 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417808248 296053223 /nfs/dbraw/zinc/05/32/23/296053223.db2.gz JLDQSWHGNBFHHS-INIZCTEOSA-N 2 1 317.477 2.552 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417808248 296053225 /nfs/dbraw/zinc/05/32/25/296053225.db2.gz JLDQSWHGNBFHHS-INIZCTEOSA-N 2 1 317.477 2.552 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2C(=O)N(C)C)C1 ZINC000417808248 296053227 /nfs/dbraw/zinc/05/32/27/296053227.db2.gz JLDQSWHGNBFHHS-INIZCTEOSA-N 2 1 317.477 2.552 20 0 DFADMP CC(C)(C)c1nc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cs1 ZINC000275460385 212348719 /nfs/dbraw/zinc/34/87/19/212348719.db2.gz GZVDZINUBGAUEU-GFCCVEGCSA-N 2 1 304.463 2.989 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000475925071 299350957 /nfs/dbraw/zinc/35/09/57/299350957.db2.gz FHMYSUUZLQNAAP-CVEARBPZSA-N 2 1 311.514 2.924 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2cncn2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579773 399019561 /nfs/dbraw/zinc/01/95/61/399019561.db2.gz BZNMYFSZXWUFBS-GDBMZVCRSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599579773 399019568 /nfs/dbraw/zinc/01/95/68/399019568.db2.gz BZNMYFSZXWUFBS-GDBMZVCRSA-N 2 1 321.465 2.652 20 0 DFADMP FC(F)Oc1ccccc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275358065 212288878 /nfs/dbraw/zinc/28/88/78/212288878.db2.gz ASBKYKGYMDXHFK-GFCCVEGCSA-N 2 1 307.344 2.837 20 0 DFADMP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000091593599 193076472 /nfs/dbraw/zinc/07/64/72/193076472.db2.gz AXRZTCGPAHOBGJ-RBSFLKMASA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000091593599 193076473 /nfs/dbraw/zinc/07/64/73/193076473.db2.gz AXRZTCGPAHOBGJ-RBSFLKMASA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000091593599 193076474 /nfs/dbraw/zinc/07/64/74/193076474.db2.gz AXRZTCGPAHOBGJ-RBSFLKMASA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000091593599 193076475 /nfs/dbraw/zinc/07/64/75/193076475.db2.gz AXRZTCGPAHOBGJ-RBSFLKMASA-N 2 1 320.433 2.852 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000247181477 299377751 /nfs/dbraw/zinc/37/77/51/299377751.db2.gz TYJXHXDTJQRWFL-NUEKZKHPSA-N 2 1 324.490 2.614 20 0 DFADMP c1ccc(C(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000479794099 299383778 /nfs/dbraw/zinc/38/37/78/299383778.db2.gz FTXTWFMXVSJEKK-BGYRXZFFSA-N 2 1 322.452 2.944 20 0 DFADMP c1ccc(C(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000479794099 299383783 /nfs/dbraw/zinc/38/37/83/299383783.db2.gz FTXTWFMXVSJEKK-BGYRXZFFSA-N 2 1 322.452 2.944 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253599 193181032 /nfs/dbraw/zinc/18/10/32/193181032.db2.gz YINPQLYDGZYLDP-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253599 193181034 /nfs/dbraw/zinc/18/10/34/193181034.db2.gz YINPQLYDGZYLDP-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)ccc1OC ZINC000092253599 193181035 /nfs/dbraw/zinc/18/10/35/193181035.db2.gz YINPQLYDGZYLDP-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000092253599 193181037 /nfs/dbraw/zinc/18/10/37/193181037.db2.gz YINPQLYDGZYLDP-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285170 296131592 /nfs/dbraw/zinc/13/15/92/296131592.db2.gz DHDODLHNYKQTCP-WBVHZDCISA-N 2 1 321.509 2.773 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285168 296131786 /nfs/dbraw/zinc/13/17/86/296131786.db2.gz DHDODLHNYKQTCP-RDJZCZTQSA-N 2 1 321.509 2.773 20 0 DFADMP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000481442749 299395831 /nfs/dbraw/zinc/39/58/31/299395831.db2.gz XMJCFSUHFYIEHO-BRWVUGGUSA-N 2 1 310.482 2.962 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433234 284113048 /nfs/dbraw/zinc/11/30/48/284113048.db2.gz WAVZUPZLAKUPDT-INIZCTEOSA-N 2 1 312.461 2.827 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000338457555 284115735 /nfs/dbraw/zinc/11/57/35/284115735.db2.gz VOMFTSANYFIWKM-UHFFFAOYSA-N 2 1 309.417 2.690 20 0 DFADMP C[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000261786655 203116143 /nfs/dbraw/zinc/11/61/43/203116143.db2.gz SOILJWYCTHNAEN-BQFCYCMXSA-N 2 1 317.477 2.703 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079995719 399105552 /nfs/dbraw/zinc/10/55/52/399105552.db2.gz BFFMINRUBILTFB-SFHVURJKSA-N 2 1 323.525 2.735 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262149592 203211437 /nfs/dbraw/zinc/21/14/37/203211437.db2.gz QWSOIQZILSITMM-WDYCEAGBSA-N 2 1 317.477 2.673 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000262148101 203212401 /nfs/dbraw/zinc/21/24/01/203212401.db2.gz QWSOIQZILSITMM-IEZWGBDMSA-N 2 1 317.477 2.673 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C)c3C)C2)CC1 ZINC000093132937 193205967 /nfs/dbraw/zinc/20/59/67/193205967.db2.gz NAWMSCVCJYRMTD-IBGZPJMESA-N 2 1 301.478 2.515 20 0 DFADMP O[C@@H]1CC[N@@H+](C2CC[NH+](CCSC3CCCCC3)CC2)C1 ZINC000595862841 399116993 /nfs/dbraw/zinc/11/69/93/399116993.db2.gz HQWCUZJLPAVURA-MRXNPFEDSA-N 2 1 312.523 2.583 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCSC3CCCCC3)CC2)C1 ZINC000595862841 399116998 /nfs/dbraw/zinc/11/69/98/399116998.db2.gz HQWCUZJLPAVURA-MRXNPFEDSA-N 2 1 312.523 2.583 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000093215240 193217347 /nfs/dbraw/zinc/21/73/47/193217347.db2.gz SXTSJGOTIODIBV-RYUDHWBXSA-N 2 1 301.203 2.948 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncccc2C)CC1 ZINC000093256705 193220844 /nfs/dbraw/zinc/22/08/44/193220844.db2.gz VGDLSCCKBBGXHG-UHFFFAOYSA-N 2 1 319.493 2.960 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000262675489 203378861 /nfs/dbraw/zinc/37/88/61/203378861.db2.gz RRDZCLMARPOORL-RYRKJORJSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000262680833 203380292 /nfs/dbraw/zinc/38/02/92/203380292.db2.gz XCWNYIOQJUVLDN-HNNXBMFYSA-N 2 1 315.461 2.999 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000093400399 193244623 /nfs/dbraw/zinc/24/46/23/193244623.db2.gz RMXOJGCYTVLYJH-HOCLYGCPSA-N 2 1 315.465 2.729 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000093400399 193244625 /nfs/dbraw/zinc/24/46/25/193244625.db2.gz RMXOJGCYTVLYJH-HOCLYGCPSA-N 2 1 315.465 2.729 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccn2C)CC1 ZINC000093769490 193302802 /nfs/dbraw/zinc/30/28/02/193302802.db2.gz UAJYUYDMLSZVME-UHFFFAOYSA-N 2 1 307.482 2.596 20 0 DFADMP COc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644562 193282175 /nfs/dbraw/zinc/28/21/75/193282175.db2.gz IGYRGTNRUONHCT-ZBFHGGJFSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1OC ZINC000093644562 193282177 /nfs/dbraw/zinc/28/21/77/193282177.db2.gz IGYRGTNRUONHCT-ZBFHGGJFSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000093644562 193282178 /nfs/dbraw/zinc/28/21/78/193282178.db2.gz IGYRGTNRUONHCT-ZBFHGGJFSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000093644562 193282180 /nfs/dbraw/zinc/28/21/80/193282180.db2.gz IGYRGTNRUONHCT-ZBFHGGJFSA-N 2 1 306.450 2.927 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000595900963 399127819 /nfs/dbraw/zinc/12/78/19/399127819.db2.gz QJKYHDWNVMYVQR-HNNXBMFYSA-N 2 1 322.474 2.746 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000340334326 284177851 /nfs/dbraw/zinc/17/78/51/284177851.db2.gz RLVPXDCVPGWQFE-GASCZTMLSA-N 2 1 303.450 2.868 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419888348 296150806 /nfs/dbraw/zinc/15/08/06/296150806.db2.gz FNUJVSLMGCTYMN-QGZVFWFLSA-N 2 1 309.498 2.680 20 0 DFADMP C[C@H]([NH2+]C1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274925758 212038661 /nfs/dbraw/zinc/03/86/61/212038661.db2.gz PUAXHTIDCGBMRS-FLODPWGTSA-N 2 1 302.462 2.790 20 0 DFADMP Brc1ccc2[nH+]ccc(NC[C@@H]3CCC[NH2+]3)c2c1 ZINC000420165207 296160046 /nfs/dbraw/zinc/16/00/46/296160046.db2.gz MZBZLIKRCHXLGS-NSHDSACASA-N 2 1 306.207 2.583 20 0 DFADMP Brc1ccc2[nH+]ccc(NC[C@H]3CCC[NH2+]3)c2c1 ZINC000420165204 296160130 /nfs/dbraw/zinc/16/01/30/296160130.db2.gz MZBZLIKRCHXLGS-LLVKDONJSA-N 2 1 306.207 2.583 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccccc2)C2CC2)CC1(C)C ZINC000282455906 217008520 /nfs/dbraw/zinc/00/85/20/217008520.db2.gz VHQOEPJIXGAGIE-SFHVURJKSA-N 2 1 301.478 2.753 20 0 DFADMP Cc1sc2nc(C[NH+]3CCCC3)nc(N[C@@H](C)C[NH3+])c2c1C ZINC000420238510 296164919 /nfs/dbraw/zinc/16/49/19/296164919.db2.gz DHWXRGNQHIUTRV-JTQLQIEISA-N 2 1 319.478 2.663 20 0 DFADMP Brc1ccc2c(c1)[nH+]ccc2N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000420247170 296165388 /nfs/dbraw/zinc/16/53/88/296165388.db2.gz UADIBSAHBHIFNP-PHIMTYICSA-N 2 1 318.218 2.653 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@@H]1[NH3+] ZINC000420271212 296167997 /nfs/dbraw/zinc/16/79/97/296167997.db2.gz HHCJDXINWZEWEU-CABZTGNLSA-N 2 1 306.207 2.781 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000420278569 296168605 /nfs/dbraw/zinc/16/86/05/296168605.db2.gz VTSJERBCSITVSF-CQSZACIVSA-N 2 1 316.401 2.651 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)C1 ZINC000420278569 296168606 /nfs/dbraw/zinc/16/86/06/296168606.db2.gz VTSJERBCSITVSF-CQSZACIVSA-N 2 1 316.401 2.651 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[NH2+]CC2(F)F)c1Br ZINC000420285932 296169404 /nfs/dbraw/zinc/16/94/04/296169404.db2.gz PUBBUNLRTBJVGL-VIFPVBQESA-N 2 1 320.181 2.809 20 0 DFADMP OCCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420294602 296170415 /nfs/dbraw/zinc/17/04/15/296170415.db2.gz BJJDXYXAGXZOHT-LPHOPBHVSA-N 2 1 302.462 2.748 20 0 DFADMP Cc1ccc([C@@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420295806 296170672 /nfs/dbraw/zinc/17/06/72/296170672.db2.gz AXCSVPKDMXPXEN-UXPWSPDFSA-N 2 1 312.457 2.919 20 0 DFADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420296454 296170998 /nfs/dbraw/zinc/17/09/98/296170998.db2.gz DPXIGIZDNPYTBV-SECBINFHSA-N 2 1 304.278 2.803 20 0 DFADMP Cc1c(Br)cccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420299846 296171156 /nfs/dbraw/zinc/17/11/56/296171156.db2.gz BQRCXUUCFSFVTH-YDHLFZDLSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000420299846 296171157 /nfs/dbraw/zinc/17/11/57/296171157.db2.gz BQRCXUUCFSFVTH-YDHLFZDLSA-N 2 1 309.251 2.927 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420299022 296171357 /nfs/dbraw/zinc/17/13/57/296171357.db2.gz GBWKCWUKLNRBPB-HOTGVXAUSA-N 2 1 304.434 2.538 20 0 DFADMP c1ccc2c(c1)cccc2C[NH+]1CCN(CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420300787 296171575 /nfs/dbraw/zinc/17/15/75/296171575.db2.gz KNAKNRLXOHPXTG-SFHVURJKSA-N 2 1 323.484 2.957 20 0 DFADMP CCN(CC)CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420303410 296172242 /nfs/dbraw/zinc/17/22/42/296172242.db2.gz NIDDBTOVDQKFRB-INIZCTEOSA-N 2 1 309.523 2.892 20 0 DFADMP CCN(CC)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1cccs1 ZINC000420303410 296172244 /nfs/dbraw/zinc/17/22/44/296172244.db2.gz NIDDBTOVDQKFRB-INIZCTEOSA-N 2 1 309.523 2.892 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420301502 296171906 /nfs/dbraw/zinc/17/19/06/296171906.db2.gz FDPRVZVOCKDJFB-LLLHUVSDSA-N 2 1 315.461 2.635 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420301502 296171907 /nfs/dbraw/zinc/17/19/07/296171907.db2.gz FDPRVZVOCKDJFB-LLLHUVSDSA-N 2 1 315.461 2.635 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000420308123 296172841 /nfs/dbraw/zinc/17/28/41/296172841.db2.gz SAXMPOASLYKLPE-IEBWSBKVSA-N 2 1 318.461 2.630 20 0 DFADMP Cc1ccc([C@H]2[C@@H](C)CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420306631 296172436 /nfs/dbraw/zinc/17/24/36/296172436.db2.gz QPKKMHCYSQXGLY-PKOBYXMFSA-N 2 1 301.478 2.673 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420306659 296172537 /nfs/dbraw/zinc/17/25/37/296172537.db2.gz QUJCVHRCIQIOBC-WMZOPIPTSA-N 2 1 315.461 2.504 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000341696534 284276507 /nfs/dbraw/zinc/27/65/07/284276507.db2.gz RSDOOSKGOBXPNK-YOEHRIQHSA-N 2 1 303.450 2.665 20 0 DFADMP Cc1cc(-c2noc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)ccc1F ZINC000420313671 296173688 /nfs/dbraw/zinc/17/36/88/296173688.db2.gz PQLQBAIGGSOVAQ-ZDUSSCGKSA-N 2 1 318.396 2.745 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420319390 296174435 /nfs/dbraw/zinc/17/44/35/296174435.db2.gz ABFNLFOBIQVIBZ-HZPDHXFCSA-N 2 1 303.450 2.529 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000622003717 399164718 /nfs/dbraw/zinc/16/47/18/399164718.db2.gz DXHAEPQAUUZFIK-IEBWSBKVSA-N 2 1 310.445 2.709 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000622003717 399164723 /nfs/dbraw/zinc/16/47/23/399164723.db2.gz DXHAEPQAUUZFIK-IEBWSBKVSA-N 2 1 310.445 2.709 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1C ZINC000420317492 296174162 /nfs/dbraw/zinc/17/41/62/296174162.db2.gz UOXJWICVVTUSKE-HOTGVXAUSA-N 2 1 303.450 2.691 20 0 DFADMP CC[NH+]1CCC([NH2+]CCOc2ncc(Cl)cc2Cl)CC1 ZINC000341886244 284282755 /nfs/dbraw/zinc/28/27/55/284282755.db2.gz XUKJUHVXRYHWFO-UHFFFAOYSA-N 2 1 318.248 2.841 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000420321644 296174990 /nfs/dbraw/zinc/17/49/90/296174990.db2.gz RIVOTIJXCRCCEI-PKOBYXMFSA-N 2 1 301.478 2.977 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323246 296175220 /nfs/dbraw/zinc/17/52/20/296175220.db2.gz FWZJEXQDYJSGED-RDBSUJKOSA-N 2 1 306.454 2.750 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420323239 296175412 /nfs/dbraw/zinc/17/54/12/296175412.db2.gz FWZJEXQDYJSGED-HZSPNIEDSA-N 2 1 306.454 2.750 20 0 DFADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321270 296174809 /nfs/dbraw/zinc/17/48/09/296174809.db2.gz COZYGRMVVREVNG-WMLDXEAASA-N 2 1 304.409 2.500 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420326873 296175670 /nfs/dbraw/zinc/17/56/70/296175670.db2.gz XTXRMEGGNDCODN-WBVHZDCISA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420326873 296175672 /nfs/dbraw/zinc/17/56/72/296175672.db2.gz XTXRMEGGNDCODN-WBVHZDCISA-N 2 1 311.429 2.830 20 0 DFADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325548 296175806 /nfs/dbraw/zinc/17/58/06/296175806.db2.gz IUMXWAMXGCLNCQ-YJBOKZPZSA-N 2 1 318.436 2.890 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420326845 296175813 /nfs/dbraw/zinc/17/58/13/296175813.db2.gz XXJIOFYMEUVELM-CVEARBPZSA-N 2 1 313.449 2.650 20 0 DFADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1)Nc1ccc(Cl)cc1 ZINC000420329719 296176000 /nfs/dbraw/zinc/17/60/00/296176000.db2.gz HEHSZSYBBQSELA-OKILXGFUSA-N 2 1 321.852 2.600 20 0 DFADMP CCc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332712 296176779 /nfs/dbraw/zinc/17/67/79/296176779.db2.gz DROGVJRBDASVAM-ROUUACIJSA-N 2 1 302.462 2.949 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000278238319 214041595 /nfs/dbraw/zinc/04/15/95/214041595.db2.gz LDESJLLAIWPVDI-APWZRJJASA-N 2 1 317.477 2.631 20 0 DFADMP O=C(C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420344098 296178084 /nfs/dbraw/zinc/17/80/84/296178084.db2.gz SAHICBITKKHZAE-ZIAGYGMSSA-N 2 1 321.852 2.600 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420344098 296178085 /nfs/dbraw/zinc/17/80/85/296178085.db2.gz SAHICBITKKHZAE-ZIAGYGMSSA-N 2 1 321.852 2.600 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420343440 296177696 /nfs/dbraw/zinc/17/76/96/296177696.db2.gz ZBDBYSCMJWXTDU-ZWKOTPCHSA-N 2 1 316.445 2.673 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)cs1 ZINC000420346873 296178444 /nfs/dbraw/zinc/17/84/44/296178444.db2.gz ZHVJFQHYZPVGSZ-QWHCGFSZSA-N 2 1 318.446 2.620 20 0 DFADMP Cc1cc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)ccc1F ZINC000420354305 296178766 /nfs/dbraw/zinc/17/87/66/296178766.db2.gz CVHDXJOGNYQJBB-SFHVURJKSA-N 2 1 306.425 2.897 20 0 DFADMP [NH3+]C[C@@H]([NH2+]CCOCCOc1ccccc1)C1CCCCC1 ZINC000420373436 296182167 /nfs/dbraw/zinc/18/21/67/296182167.db2.gz RAUAQIZSQBQXTQ-GOSISDBHSA-N 2 1 306.450 2.579 20 0 DFADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000420376671 296182713 /nfs/dbraw/zinc/18/27/13/296182713.db2.gz KAWVPNANADTREG-VYDXJSESSA-N 2 1 305.470 2.590 20 0 DFADMP Cc1cccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000282648155 217151014 /nfs/dbraw/zinc/15/10/14/217151014.db2.gz KYGFMFZAHDFGQT-UHFFFAOYSA-N 2 1 303.494 2.843 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420384083 296183938 /nfs/dbraw/zinc/18/39/38/296183938.db2.gz RIMMDHZGXHMPPE-SZMVWBNQSA-N 2 1 317.477 2.513 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420384083 296183940 /nfs/dbraw/zinc/18/39/40/296183940.db2.gz RIMMDHZGXHMPPE-SZMVWBNQSA-N 2 1 317.477 2.513 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420384080 296183987 /nfs/dbraw/zinc/18/39/87/296183987.db2.gz RIMMDHZGXHMPPE-JQHSSLGASA-N 2 1 317.477 2.513 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000420384080 296183988 /nfs/dbraw/zinc/18/39/88/296183988.db2.gz RIMMDHZGXHMPPE-JQHSSLGASA-N 2 1 317.477 2.513 20 0 DFADMP Fc1ccc(Cl)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420385456 296184304 /nfs/dbraw/zinc/18/43/04/296184304.db2.gz GVWREZBBSPIZBS-ZBFHGGJFSA-N 2 1 324.827 2.680 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC)c2C)CC1 ZINC000342090607 284324726 /nfs/dbraw/zinc/32/47/26/284324726.db2.gz VZGGZYSRCZIQLJ-UHFFFAOYSA-N 2 1 306.450 2.976 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCCc1nc(-c2ccc(C)c(F)c2)no1 ZINC000420393653 296185219 /nfs/dbraw/zinc/18/52/19/296185219.db2.gz YKFHKYWGTGGXMM-UHFFFAOYSA-N 2 1 320.412 2.658 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420393501 296185447 /nfs/dbraw/zinc/18/54/47/296185447.db2.gz JSIGIOUSQLHRIV-QFBILLFUSA-N 2 1 318.461 2.928 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC[N@H+]1C ZINC000596118560 399179234 /nfs/dbraw/zinc/17/92/34/399179234.db2.gz ZXNRMHBDBYTJLE-KBMXLJTQSA-N 2 1 310.482 2.817 20 0 DFADMP CCN(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420397147 296185820 /nfs/dbraw/zinc/18/58/20/296185820.db2.gz MOUGCYZIAZKKRY-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CCN(C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420397147 296185821 /nfs/dbraw/zinc/18/58/21/296185821.db2.gz MOUGCYZIAZKKRY-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCc2nc3ccccc3n2C)CC[N@@H+]1C ZINC000266013493 205026680 /nfs/dbraw/zinc/02/66/80/205026680.db2.gz TXTXVJPQJFINTM-LSDHHAIUSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCc2nc3ccccc3n2C)CC[N@H+]1C ZINC000266013493 205026684 /nfs/dbraw/zinc/02/66/84/205026684.db2.gz TXTXVJPQJFINTM-LSDHHAIUSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCc2nc3ccccc3n2C)CC[NH+]1C ZINC000266013493 205026686 /nfs/dbraw/zinc/02/66/86/205026686.db2.gz TXTXVJPQJFINTM-LSDHHAIUSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCc2nc3ccccc3n2C)CC[NH+]1C ZINC000266013493 205026689 /nfs/dbraw/zinc/02/66/89/205026689.db2.gz TXTXVJPQJFINTM-LSDHHAIUSA-N 2 1 300.450 2.530 20 0 DFADMP CC(C)[C@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000342501610 284345969 /nfs/dbraw/zinc/34/59/69/284345969.db2.gz WFUPPGZIBYAXPF-UJJTZGENSA-N 2 1 321.509 2.581 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000266068576 205072902 /nfs/dbraw/zinc/07/29/02/205072902.db2.gz FDFQKCTVDVULDU-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP CC[N@@H+](CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000282785464 217249417 /nfs/dbraw/zinc/24/94/17/217249417.db2.gz FMQYYRIIGGXQTL-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP Cc1ccc([C@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000266155329 205143682 /nfs/dbraw/zinc/14/36/82/205143682.db2.gz LTJNEBSAODDVPO-GOSISDBHSA-N 2 1 314.429 2.876 20 0 DFADMP COc1ccc(COCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000607739679 399191124 /nfs/dbraw/zinc/19/11/24/399191124.db2.gz VTKMLILLWAHQST-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000607739679 399191130 /nfs/dbraw/zinc/19/11/30/399191130.db2.gz VTKMLILLWAHQST-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000607739679 399191137 /nfs/dbraw/zinc/19/11/37/399191137.db2.gz VTKMLILLWAHQST-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000607739679 399191142 /nfs/dbraw/zinc/19/11/42/399191142.db2.gz VTKMLILLWAHQST-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000622172510 399213494 /nfs/dbraw/zinc/21/34/94/399213494.db2.gz NRJKVPBFQALRNM-DLBZAZTESA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000622172510 399213497 /nfs/dbraw/zinc/21/34/97/399213497.db2.gz NRJKVPBFQALRNM-DLBZAZTESA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000622172510 399213498 /nfs/dbraw/zinc/21/34/98/399213498.db2.gz NRJKVPBFQALRNM-DLBZAZTESA-N 2 1 321.509 2.774 20 0 DFADMP CCc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000288509096 220188117 /nfs/dbraw/zinc/18/81/17/220188117.db2.gz IPJZQAZWIFAANV-UHFFFAOYSA-N 2 1 317.433 2.857 20 0 DFADMP O=C(N[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000081292939 399222983 /nfs/dbraw/zinc/22/29/83/399222983.db2.gz FUOLRHZRBMLYDY-QGZVFWFLSA-N 2 1 322.412 2.792 20 0 DFADMP COCc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000608057189 399228415 /nfs/dbraw/zinc/22/84/15/399228415.db2.gz YTMHBNMGVVFPAK-LJQANCHMSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000608362562 399256514 /nfs/dbraw/zinc/25/65/14/399256514.db2.gz RULQEGJLBUCAIA-WBVHZDCISA-N 2 1 318.465 2.620 20 0 DFADMP CC[N@@H+](CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C1CC1 ZINC000622663572 399266273 /nfs/dbraw/zinc/26/62/73/399266273.db2.gz NGKYGJTYJBBCFN-UHFFFAOYSA-N 2 1 323.525 2.830 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601327700 399278326 /nfs/dbraw/zinc/27/83/26/399278326.db2.gz ZEFKICCBORPBGN-QWHCGFSZSA-N 2 1 316.401 2.636 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601327700 399278329 /nfs/dbraw/zinc/27/83/29/399278329.db2.gz ZEFKICCBORPBGN-QWHCGFSZSA-N 2 1 316.401 2.636 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)o3)CC2)CC1 ZINC000421368169 296249267 /nfs/dbraw/zinc/24/92/67/296249267.db2.gz GDADOVZJTHAUAO-UHFFFAOYSA-N 2 1 305.466 2.580 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000040600302 183107808 /nfs/dbraw/zinc/10/78/08/183107808.db2.gz FSTAYDOYWUNVPG-CYBMUJFWSA-N 2 1 309.841 2.600 20 0 DFADMP COC(=O)c1ccoc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000609133442 399304539 /nfs/dbraw/zinc/30/45/39/399304539.db2.gz GOAYPTKFESNADH-UHFFFAOYSA-N 2 1 308.422 2.618 20 0 DFADMP COC(=O)c1ccoc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000609133442 399304540 /nfs/dbraw/zinc/30/45/40/399304540.db2.gz GOAYPTKFESNADH-UHFFFAOYSA-N 2 1 308.422 2.618 20 0 DFADMP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CCC[NH2+]C1 ZINC000042402355 183264028 /nfs/dbraw/zinc/26/40/28/183264028.db2.gz UZOWEMRLYJCARP-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+](Cc1cc(Br)cs1)C[C@@H]1CCC[NH2+]C1 ZINC000042402355 183264030 /nfs/dbraw/zinc/26/40/30/183264030.db2.gz UZOWEMRLYJCARP-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]CCc1c[nH+]cn1C ZINC000623086432 399324081 /nfs/dbraw/zinc/32/40/81/399324081.db2.gz QWFZROYCLNDPDF-UHFFFAOYSA-N 2 1 324.222 2.524 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2ccncc2Cl)CC1 ZINC000421819965 296276902 /nfs/dbraw/zinc/27/69/02/296276902.db2.gz JYTRUVIQGFFQKY-HNNXBMFYSA-N 2 1 324.900 2.803 20 0 DFADMP C[N@@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000284430848 218024023 /nfs/dbraw/zinc/02/40/23/218024023.db2.gz GHHQNWKSTAFQJU-UHFFFAOYSA-N 2 1 314.433 2.719 20 0 DFADMP C[N@H+](CC1(C)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1=O ZINC000104726369 194031535 /nfs/dbraw/zinc/03/15/35/194031535.db2.gz IHGNUBUKZCRCCJ-QGZVFWFLSA-N 2 1 316.445 2.536 20 0 DFADMP C[N@@H+](CC1(C)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCOC1=O ZINC000104726369 194031537 /nfs/dbraw/zinc/03/15/37/194031537.db2.gz IHGNUBUKZCRCCJ-QGZVFWFLSA-N 2 1 316.445 2.536 20 0 DFADMP Cc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000610250333 399350831 /nfs/dbraw/zinc/35/08/31/399350831.db2.gz TVYGKXNRICPROS-IBGZPJMESA-N 2 1 301.478 2.595 20 0 DFADMP CCOC(=O)[C@H](CC)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000610367523 399361715 /nfs/dbraw/zinc/36/17/15/399361715.db2.gz QMXAPGWNEUNGLV-KRWDZBQOSA-N 2 1 310.482 2.916 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1OC ZINC000623335536 399365011 /nfs/dbraw/zinc/36/50/11/399365011.db2.gz RLBFDANWBCXLEV-OAHLLOKOSA-N 2 1 306.450 2.709 20 0 DFADMP C[NH+]1CC[C@H](NCCC[N@@H+]2CCc3ccccc3C2)CC1(C)C ZINC000623347530 399368063 /nfs/dbraw/zinc/36/80/63/399368063.db2.gz CUQXRAQBNWSCPJ-IBGZPJMESA-N 2 1 315.505 2.897 20 0 DFADMP C[NH+]1CC[C@H](NCCC[N@H+]2CCc3ccccc3C2)CC1(C)C ZINC000623347530 399368065 /nfs/dbraw/zinc/36/80/65/399368065.db2.gz CUQXRAQBNWSCPJ-IBGZPJMESA-N 2 1 315.505 2.897 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)CC1(C)C ZINC000623347530 399368068 /nfs/dbraw/zinc/36/80/68/399368068.db2.gz CUQXRAQBNWSCPJ-IBGZPJMESA-N 2 1 315.505 2.897 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)CC1(C)C ZINC000623347530 399368070 /nfs/dbraw/zinc/36/80/70/399368070.db2.gz CUQXRAQBNWSCPJ-IBGZPJMESA-N 2 1 315.505 2.897 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCc2ccccc2)CC1 ZINC000105862447 194150444 /nfs/dbraw/zinc/15/04/44/194150444.db2.gz FPVVACUJQQFSLX-KRWDZBQOSA-N 2 1 304.478 2.644 20 0 DFADMP C[NH+](C)[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363188 399372574 /nfs/dbraw/zinc/37/25/74/399372574.db2.gz FBEAKYVIFVHKHT-SJORKVTESA-N 2 1 307.457 2.891 20 0 DFADMP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363188 399372575 /nfs/dbraw/zinc/37/25/75/399372575.db2.gz FBEAKYVIFVHKHT-SJORKVTESA-N 2 1 307.457 2.891 20 0 DFADMP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363188 399372576 /nfs/dbraw/zinc/37/25/76/399372576.db2.gz FBEAKYVIFVHKHT-SJORKVTESA-N 2 1 307.457 2.891 20 0 DFADMP C[C@H](C[NH2+]Cc1ccc(F)c(F)c1N(C)C)C[NH+]1CCCC1 ZINC000623362834 399372769 /nfs/dbraw/zinc/37/27/69/399372769.db2.gz MQEXMBIHQLIMQU-CYBMUJFWSA-N 2 1 311.420 2.852 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNCc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384133 399377045 /nfs/dbraw/zinc/37/70/45/399377045.db2.gz PWOPMXLURGXVOO-ZDUSSCGKSA-N 2 1 311.420 2.851 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384133 399377047 /nfs/dbraw/zinc/37/70/47/399377047.db2.gz PWOPMXLURGXVOO-ZDUSSCGKSA-N 2 1 311.420 2.851 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384133 399377048 /nfs/dbraw/zinc/37/70/48/399377048.db2.gz PWOPMXLURGXVOO-ZDUSSCGKSA-N 2 1 311.420 2.851 20 0 DFADMP CC[C@H](O)C[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000106386272 194204462 /nfs/dbraw/zinc/20/44/62/194204462.db2.gz KLARUNUFYCSXSO-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]CC3(OC)CCCC3)CCCC2)CC1 ZINC000359737344 284773627 /nfs/dbraw/zinc/77/36/27/284773627.db2.gz SWSPKAIVUNJPNY-UHFFFAOYSA-N 2 1 324.509 2.959 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3n[nH]cc32)C[C@H](C)O1 ZINC000623425312 399386720 /nfs/dbraw/zinc/38/67/20/399386720.db2.gz XWIIMHAJRQTTEE-GASCZTMLSA-N 2 1 316.449 2.542 20 0 DFADMP CCOCCOCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000268846058 207011893 /nfs/dbraw/zinc/01/18/93/207011893.db2.gz VMDNQFGAJQVEQA-LPHOPBHVSA-N 2 1 320.477 2.812 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000268853299 207021131 /nfs/dbraw/zinc/02/11/31/207021131.db2.gz KUMWMISTNKUOFX-ZDUSSCGKSA-N 2 1 303.406 2.950 20 0 DFADMP Cc1nccn1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268854115 207021351 /nfs/dbraw/zinc/02/13/51/207021351.db2.gz YWVKZEORZIAXDN-APWZRJJASA-N 2 1 312.461 2.692 20 0 DFADMP Cc1nccn1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268854115 207021354 /nfs/dbraw/zinc/02/13/54/207021354.db2.gz YWVKZEORZIAXDN-APWZRJJASA-N 2 1 312.461 2.692 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110650372 194347569 /nfs/dbraw/zinc/34/75/69/194347569.db2.gz CAZHXXKXPTUJCX-LBPRGKRZSA-N 2 1 309.841 2.646 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000422625043 296316529 /nfs/dbraw/zinc/31/65/29/296316529.db2.gz AKGJGJGMTNNTLF-MGPQQGTHSA-N 2 1 323.868 2.974 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511072 399405242 /nfs/dbraw/zinc/40/52/42/399405242.db2.gz YZUYLXQFQJOIPC-MOPGFXCFSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511072 399405245 /nfs/dbraw/zinc/40/52/45/399405245.db2.gz YZUYLXQFQJOIPC-MOPGFXCFSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511072 399405248 /nfs/dbraw/zinc/40/52/48/399405248.db2.gz YZUYLXQFQJOIPC-MOPGFXCFSA-N 3 1 315.505 2.971 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511072 399405254 /nfs/dbraw/zinc/40/52/54/399405254.db2.gz YZUYLXQFQJOIPC-MOPGFXCFSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511072 399405256 /nfs/dbraw/zinc/40/52/56/399405256.db2.gz YZUYLXQFQJOIPC-MOPGFXCFSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511072 399405259 /nfs/dbraw/zinc/40/52/59/399405259.db2.gz YZUYLXQFQJOIPC-MOPGFXCFSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422712950 296320158 /nfs/dbraw/zinc/32/01/58/296320158.db2.gz JCMULQLAKCVPQK-PKOBYXMFSA-N 3 1 303.494 2.658 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000422712950 296320161 /nfs/dbraw/zinc/32/01/61/296320161.db2.gz JCMULQLAKCVPQK-PKOBYXMFSA-N 2 1 303.494 2.658 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422712320 296320365 /nfs/dbraw/zinc/32/03/65/296320365.db2.gz IISOJWCEBFWJGC-AQNXPRMDSA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)(CN[C@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422709965 296319832 /nfs/dbraw/zinc/31/98/32/296319832.db2.gz ZZWWFQKFKNOPRR-WMZOPIPTSA-N 2 1 301.478 2.540 20 0 DFADMP CC(C)(CN[C@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422709965 296319834 /nfs/dbraw/zinc/31/98/34/296319834.db2.gz ZZWWFQKFKNOPRR-WMZOPIPTSA-N 2 1 301.478 2.540 20 0 DFADMP CCCC[N@@H+](C)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709632 296319898 /nfs/dbraw/zinc/31/98/98/296319898.db2.gz KXPJNCXIZFLZNL-PKOBYXMFSA-N 2 1 317.477 2.564 20 0 DFADMP CCCCN(C)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709632 296319899 /nfs/dbraw/zinc/31/98/99/296319899.db2.gz KXPJNCXIZFLZNL-PKOBYXMFSA-N 2 1 317.477 2.564 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714547 296320663 /nfs/dbraw/zinc/32/06/63/296320663.db2.gz LAGVXNPJZTUUBA-SLFFLAALSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714547 296320664 /nfs/dbraw/zinc/32/06/64/296320664.db2.gz LAGVXNPJZTUUBA-SLFFLAALSA-N 2 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714547 296320665 /nfs/dbraw/zinc/32/06/65/296320665.db2.gz LAGVXNPJZTUUBA-SLFFLAALSA-N 2 1 315.505 2.658 20 0 DFADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000422720079 296321432 /nfs/dbraw/zinc/32/14/32/296321432.db2.gz SBKJOMFADNBDAV-CTWPCTMYSA-N 3 1 319.493 2.556 20 0 DFADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000422720079 296321433 /nfs/dbraw/zinc/32/14/33/296321433.db2.gz SBKJOMFADNBDAV-CTWPCTMYSA-N 3 1 319.493 2.556 20 0 DFADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623570430 399419029 /nfs/dbraw/zinc/41/90/29/399419029.db2.gz RIKBQWKWHYCDGE-YESZJQIVSA-N 2 1 304.482 2.594 20 0 DFADMP C[C@@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422725296 296322128 /nfs/dbraw/zinc/32/21/28/296322128.db2.gz XULNZFAWVTXPPC-ACJLOTCBSA-N 2 1 323.431 2.659 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NCc1cccs1 ZINC000623556971 399415013 /nfs/dbraw/zinc/41/50/13/399415013.db2.gz GMZCRDJNWKWNHY-DZGCQCFKSA-N 2 1 323.506 2.605 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NCc1cccs1 ZINC000623556971 399415016 /nfs/dbraw/zinc/41/50/16/399415016.db2.gz GMZCRDJNWKWNHY-DZGCQCFKSA-N 2 1 323.506 2.605 20 0 DFADMP C[N@H+]1C[C@@H](CN[C@H]2CC[NH+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557585 399415940 /nfs/dbraw/zinc/41/59/40/399415940.db2.gz BFURHOLEIOMOJK-QYZOEREBSA-N 2 1 315.505 2.794 20 0 DFADMP C[NH+]1C[C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557585 399415943 /nfs/dbraw/zinc/41/59/43/399415943.db2.gz BFURHOLEIOMOJK-QYZOEREBSA-N 2 1 315.505 2.794 20 0 DFADMP C[NH+]1C[C@@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557585 399415946 /nfs/dbraw/zinc/41/59/46/399415946.db2.gz BFURHOLEIOMOJK-QYZOEREBSA-N 2 1 315.505 2.794 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)c1)O[C@H](C)C2 ZINC000623655625 399435793 /nfs/dbraw/zinc/43/57/93/399435793.db2.gz APENYFXFZMPBAI-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)c1)O[C@H](C)C2 ZINC000623655625 399435795 /nfs/dbraw/zinc/43/57/95/399435795.db2.gz APENYFXFZMPBAI-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000623655805 399436354 /nfs/dbraw/zinc/43/63/54/399436354.db2.gz FWVCJWKOXFEFDB-GOSISDBHSA-N 2 1 312.461 2.753 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000623655805 399436356 /nfs/dbraw/zinc/43/63/56/399436356.db2.gz FWVCJWKOXFEFDB-GOSISDBHSA-N 2 1 312.461 2.753 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623657600 399436460 /nfs/dbraw/zinc/43/64/60/399436460.db2.gz VDXLMUPLNJVCCJ-MRXNPFEDSA-N 2 1 312.461 2.909 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000269051816 207199450 /nfs/dbraw/zinc/19/94/50/207199450.db2.gz VWVGRGFMGWWZPX-IEBWSBKVSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000269051816 207199453 /nfs/dbraw/zinc/19/94/53/207199453.db2.gz VWVGRGFMGWWZPX-IEBWSBKVSA-N 3 1 303.494 2.828 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(-c2cccs2)n1 ZINC000623657731 399438161 /nfs/dbraw/zinc/43/81/61/399438161.db2.gz XQDBKTVQOVXMNV-CQSZACIVSA-N 2 1 318.490 2.970 20 0 DFADMP COc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(OC)c1 ZINC000269124795 207260025 /nfs/dbraw/zinc/26/00/25/207260025.db2.gz CDMFVILLAAKCLX-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP COc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(OC)c1 ZINC000269124795 207260030 /nfs/dbraw/zinc/26/00/30/207260030.db2.gz CDMFVILLAAKCLX-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP C[C@H]1CCc2nc(C[NH+]3CCC(OCCC[NH3+])CC3)sc2C1 ZINC000346694497 284928627 /nfs/dbraw/zinc/92/86/27/284928627.db2.gz UPJYGWOITBGYND-ZDUSSCGKSA-N 2 1 323.506 2.598 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738368 296323970 /nfs/dbraw/zinc/32/39/70/296323970.db2.gz JOUZQFDAHHQXDH-NEPXVJNWSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738368 296323972 /nfs/dbraw/zinc/32/39/72/296323972.db2.gz JOUZQFDAHHQXDH-NEPXVJNWSA-N 2 1 301.478 2.800 20 0 DFADMP CC[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747148 296325651 /nfs/dbraw/zinc/32/56/51/296325651.db2.gz YAUIVVAGUWOURO-FHWLQOOXSA-N 2 1 301.478 2.771 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)CC[NH2+]2)cc1 ZINC000422748721 296325910 /nfs/dbraw/zinc/32/59/10/296325910.db2.gz VUGCPDMWJOEGAZ-IAGOWNOFSA-N 2 1 310.397 2.998 20 0 DFADMP COc1ccc([C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422760594 296328507 /nfs/dbraw/zinc/32/85/07/296328507.db2.gz QILPCFNZKBMEMK-IEBWSBKVSA-N 2 1 317.477 2.564 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000422766426 296329798 /nfs/dbraw/zinc/32/97/98/296329798.db2.gz XIBFMHZTKUELOR-RHSMWYFYSA-N 2 1 312.413 2.506 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000623902755 399490695 /nfs/dbraw/zinc/49/06/95/399490695.db2.gz PFDIXBYPQUAMAT-PBHICJAKSA-N 2 1 318.465 2.609 20 0 DFADMP COc1ccc(O[C@@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422790595 296333220 /nfs/dbraw/zinc/33/32/20/296333220.db2.gz PKPXMIBCBYBWRF-QWHCGFSZSA-N 2 1 301.390 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C[NH+](C)C)c1ccccc1 ZINC000422790131 296333343 /nfs/dbraw/zinc/33/33/43/296333343.db2.gz PBAFUZIIVPXNTJ-BEFAXECRSA-N 2 1 312.461 2.802 20 0 DFADMP c1ccc(C[NH+]2CCCCC2)c(CN[C@@H]2CCC[NH2+]CC2)c1 ZINC000422796878 296334757 /nfs/dbraw/zinc/33/47/57/296334757.db2.gz ZIFLHHNKNGOUSW-LJQANCHMSA-N 2 1 301.478 2.904 20 0 DFADMP CC[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422801467 296335514 /nfs/dbraw/zinc/33/55/14/296335514.db2.gz BZKJSABIYSSHRS-KFKAGJAMSA-N 2 1 301.478 2.553 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000422806981 296336580 /nfs/dbraw/zinc/33/65/80/296336580.db2.gz LLVYTKSFPQWNSU-CRAIPNDOSA-N 2 1 317.477 2.789 20 0 DFADMP CC[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422812576 296337485 /nfs/dbraw/zinc/33/74/85/296337485.db2.gz WOVUDKOBNYWXLM-DFQSSKMNSA-N 2 1 315.505 2.930 20 0 DFADMP CC[C@H](CN[C@@H]1CCCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422812576 296337487 /nfs/dbraw/zinc/33/74/87/296337487.db2.gz WOVUDKOBNYWXLM-DFQSSKMNSA-N 2 1 315.505 2.930 20 0 DFADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841714 399506387 /nfs/dbraw/zinc/50/63/87/399506387.db2.gz OTRBOQIHKFEPSB-NTZNESFSSA-N 2 1 320.824 2.978 20 0 DFADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841714 399506391 /nfs/dbraw/zinc/50/63/91/399506391.db2.gz OTRBOQIHKFEPSB-NTZNESFSSA-N 2 1 320.824 2.978 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830471 296340977 /nfs/dbraw/zinc/34/09/77/296340977.db2.gz IGHJSQKYEALYDC-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830471 296340978 /nfs/dbraw/zinc/34/09/78/296340978.db2.gz IGHJSQKYEALYDC-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830472 296341007 /nfs/dbraw/zinc/34/10/07/296341007.db2.gz IGHJSQKYEALYDC-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830472 296341008 /nfs/dbraw/zinc/34/10/08/296341008.db2.gz IGHJSQKYEALYDC-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846260 399508406 /nfs/dbraw/zinc/50/84/06/399508406.db2.gz XDALDECUCXIOJU-HOTGVXAUSA-N 2 1 319.840 2.788 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422842442 296343104 /nfs/dbraw/zinc/34/31/04/296343104.db2.gz FWQRRGWATKMODO-PXNSSMCTSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000422842442 296343105 /nfs/dbraw/zinc/34/31/05/296343105.db2.gz FWQRRGWATKMODO-PXNSSMCTSA-N 3 1 315.505 2.671 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422848913 296344399 /nfs/dbraw/zinc/34/43/99/296344399.db2.gz BIAJQNYWPYBFLM-JWTNVVGKSA-N 2 1 318.461 2.783 20 0 DFADMP COC1CC([NH2+]Cc2ccccc2C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000347361100 285014498 /nfs/dbraw/zinc/01/44/98/285014498.db2.gz IWYSOXZZQQOHJR-MYMYQCDVSA-N 2 1 318.461 2.563 20 0 DFADMP C1CCC([N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)C1 ZINC000422855922 296345625 /nfs/dbraw/zinc/34/56/25/296345625.db2.gz DHPAROQDZIMKEZ-GDAAHCPNSA-N 2 1 305.510 2.904 20 0 DFADMP CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)[C@H]1CCCC[NH2+]1 ZINC000422859338 296346253 /nfs/dbraw/zinc/34/62/53/296346253.db2.gz JZFFAZKECJOTHZ-RTBURBONSA-N 2 1 312.461 2.925 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c(OC[C@H]2CCCO2)c1 ZINC000422870805 296347827 /nfs/dbraw/zinc/34/78/27/296347827.db2.gz CHMKAQPYUDGDJP-JFIYKMOQSA-N 2 1 318.461 2.640 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)[C@@H]1CCCC[NH2+]1 ZINC000422879084 296349312 /nfs/dbraw/zinc/34/93/12/296349312.db2.gz UKSLUBAWWFUYLX-KBMXLJTQSA-N 2 1 322.884 2.824 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422874398 296348510 /nfs/dbraw/zinc/34/85/10/296348510.db2.gz CSPHVGVVGYHHOG-HZPDHXFCSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422874398 296348511 /nfs/dbraw/zinc/34/85/11/296348511.db2.gz CSPHVGVVGYHHOG-HZPDHXFCSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)C1C[NH2+]C1 ZINC000422874398 296348512 /nfs/dbraw/zinc/34/85/12/296348512.db2.gz CSPHVGVVGYHHOG-HZPDHXFCSA-N 2 1 301.478 2.616 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)[C@H]1CCCC[NH2+]1 ZINC000422879627 296349377 /nfs/dbraw/zinc/34/93/77/296349377.db2.gz VRPUDQXEMKQGRU-YESZJQIVSA-N 2 1 317.477 2.784 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875678 296348867 /nfs/dbraw/zinc/34/88/67/296348867.db2.gz FOTVOAFIVVPIHH-BBWFWOEESA-N 3 1 315.505 2.862 20 0 DFADMP C[C@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875678 296348868 /nfs/dbraw/zinc/34/88/68/296348868.db2.gz FOTVOAFIVVPIHH-BBWFWOEESA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875678 296348869 /nfs/dbraw/zinc/34/88/69/296348869.db2.gz FOTVOAFIVVPIHH-BBWFWOEESA-N 2 1 315.505 2.862 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884010 296350209 /nfs/dbraw/zinc/35/02/09/296350209.db2.gz RGEGOBQEBICDOX-XHSDSOJGSA-N 2 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884010 296350210 /nfs/dbraw/zinc/35/02/10/296350210.db2.gz RGEGOBQEBICDOX-XHSDSOJGSA-N 3 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884010 296350211 /nfs/dbraw/zinc/35/02/11/296350211.db2.gz RGEGOBQEBICDOX-XHSDSOJGSA-N 3 1 318.509 2.867 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422883640 296350240 /nfs/dbraw/zinc/35/02/40/296350240.db2.gz VIHPRDIBUKXLCB-FUHWJXTLSA-N 2 1 302.462 2.631 20 0 DFADMP C[NH+]1CCC([NH2+]CCC2=CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000492290026 299555416 /nfs/dbraw/zinc/55/54/16/299555416.db2.gz OJTGHCJMFMFMHM-UHFFFAOYSA-N 2 1 323.481 2.628 20 0 DFADMP CCCOc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(OC(F)F)c1 ZINC000422890113 296351308 /nfs/dbraw/zinc/35/13/08/296351308.db2.gz RFOVMWFJOKBWIB-LLVKDONJSA-N 2 1 314.376 2.774 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901410 296353048 /nfs/dbraw/zinc/35/30/48/296353048.db2.gz BZYFBDBVQGFCDI-KVSKMBFKSA-N 2 1 317.477 2.562 20 0 DFADMP CC[C@H](C)N(C)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901410 296353050 /nfs/dbraw/zinc/35/30/50/296353050.db2.gz BZYFBDBVQGFCDI-KVSKMBFKSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422893937 296351934 /nfs/dbraw/zinc/35/19/34/296351934.db2.gz ROUYIUZGZUPOJY-SMDDNHRTSA-N 2 1 302.340 2.715 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCO3)CC1 ZINC000119868005 195052285 /nfs/dbraw/zinc/05/22/85/195052285.db2.gz TXKGMUALEYYGED-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000422905657 296354242 /nfs/dbraw/zinc/35/42/42/296354242.db2.gz IOFHFJZVUDBQKA-HBUWYVDXSA-N 2 1 323.431 2.659 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422908679 296354527 /nfs/dbraw/zinc/35/45/27/296354527.db2.gz YYRKLDDVOSZGOQ-JKSUJKDBSA-N 2 1 302.397 2.761 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000422903639 296353630 /nfs/dbraw/zinc/35/36/30/296353630.db2.gz OQICSBSHOUYMJP-SJORKVTESA-N 3 1 319.493 2.514 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000422903639 296353631 /nfs/dbraw/zinc/35/36/31/296353631.db2.gz OQICSBSHOUYMJP-SJORKVTESA-N 3 1 319.493 2.514 20 0 DFADMP CCN1CC[NH+](Cc2ccc(N[C@@H](C)CCCC[NH3+])cc2)CC1 ZINC000422916257 296355262 /nfs/dbraw/zinc/35/52/62/296355262.db2.gz DCTCYLXWWIORLC-KRWDZBQOSA-N 2 1 318.509 2.754 20 0 DFADMP c1ccc([C@H]2C[C@@H]([NH2+]CCCOC3CCOCC3)CC[NH2+]2)cc1 ZINC000422914972 296355279 /nfs/dbraw/zinc/35/52/79/296355279.db2.gz ACISZGXHAXYDSN-PKOBYXMFSA-N 2 1 318.461 2.655 20 0 DFADMP COc1cc(OC)cc(OCCC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422925721 296356054 /nfs/dbraw/zinc/35/60/54/296356054.db2.gz CEWQEFXHMZLDRJ-RDTXWAMCSA-N 2 1 322.449 2.593 20 0 DFADMP CSC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCOCC1 ZINC000422924281 296356211 /nfs/dbraw/zinc/35/62/11/296356211.db2.gz UCSIUAVXZAXXML-SJORKVTESA-N 2 1 320.502 2.982 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1sccc1Br ZINC000422938239 296358443 /nfs/dbraw/zinc/35/84/43/296358443.db2.gz DJCOVBBHPQTOJY-KOLCDFICSA-N 2 1 303.269 2.988 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942525 296358750 /nfs/dbraw/zinc/35/87/50/296358750.db2.gz KPHIHPOFWAVPPC-SWLSCSKDSA-N 2 1 309.841 2.646 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347502003 285060761 /nfs/dbraw/zinc/06/07/61/285060761.db2.gz IKOUWNUMTFZMMT-GOSISDBHSA-N 2 1 315.461 2.674 20 0 DFADMP CC(C)[C@H](CN[C@H](C)[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422935689 296357457 /nfs/dbraw/zinc/35/74/57/296357457.db2.gz HKQKJQLOFFYEKG-KPFFTGBYSA-N 2 1 315.505 2.657 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H](C)[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000422935689 296357458 /nfs/dbraw/zinc/35/74/58/296357458.db2.gz HKQKJQLOFFYEKG-KPFFTGBYSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422934724 296357499 /nfs/dbraw/zinc/35/74/99/296357499.db2.gz CYWBKJINYKPAIG-WBMJQRKESA-N 2 1 303.381 2.753 20 0 DFADMP C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422934723 296357707 /nfs/dbraw/zinc/35/77/07/296357707.db2.gz CYWBKJINYKPAIG-LRDDRELGSA-N 2 1 303.381 2.753 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1 ZINC000631886258 399518894 /nfs/dbraw/zinc/51/88/94/399518894.db2.gz GLADJTKLXLETNF-CZUORRHYSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1ccc(Cl)cc1 ZINC000631886258 399518897 /nfs/dbraw/zinc/51/88/97/399518897.db2.gz GLADJTKLXLETNF-CZUORRHYSA-N 2 1 321.852 2.743 20 0 DFADMP CC[C@](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695860 399524337 /nfs/dbraw/zinc/52/43/37/399524337.db2.gz PSJDZTZAPDRRLQ-HHXXYDBFSA-N 2 1 318.461 2.580 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000270020295 208075164 /nfs/dbraw/zinc/07/51/64/208075164.db2.gz AGOKRUMXEHTAGS-UHFFFAOYSA-N 2 1 303.454 2.940 20 0 DFADMP c1ccc2c(CC[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)nsc2c1 ZINC000631890157 399521028 /nfs/dbraw/zinc/52/10/28/399521028.db2.gz MUBFOWNEQXNNOY-BBRMVZONSA-N 2 1 301.459 2.913 20 0 DFADMP c1ccc2c(CC[N@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)nsc2c1 ZINC000631890157 399521031 /nfs/dbraw/zinc/52/10/31/399521031.db2.gz MUBFOWNEQXNNOY-BBRMVZONSA-N 2 1 301.459 2.913 20 0 DFADMP COc1cccc(SCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889827 399521199 /nfs/dbraw/zinc/52/11/99/399521199.db2.gz KAYAAKMYWWMUTR-WMLDXEAASA-N 2 1 306.475 2.861 20 0 DFADMP c1ccc2c(CC[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)nsc2c1 ZINC000631890159 399521240 /nfs/dbraw/zinc/52/12/40/399521240.db2.gz MUBFOWNEQXNNOY-CZUORRHYSA-N 2 1 301.459 2.913 20 0 DFADMP c1ccc2c(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)nsc2c1 ZINC000631890159 399521243 /nfs/dbraw/zinc/52/12/43/399521243.db2.gz MUBFOWNEQXNNOY-CZUORRHYSA-N 2 1 301.459 2.913 20 0 DFADMP c1cn2c(n1)[C@@H](C[NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CCC2 ZINC000422964348 296361583 /nfs/dbraw/zinc/36/15/83/296361583.db2.gz IKWAGWWCTDHXON-KURKYZTESA-N 2 1 310.445 2.843 20 0 DFADMP c1cn2c(n1)[C@@H](C[NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)CCC2 ZINC000422964349 296361744 /nfs/dbraw/zinc/36/17/44/296361744.db2.gz IKWAGWWCTDHXON-SQNIBIBYSA-N 2 1 310.445 2.843 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000422965253 296362185 /nfs/dbraw/zinc/36/21/85/296362185.db2.gz ODQBFQAVZOFINL-KXBFYZLASA-N 2 1 312.461 2.701 20 0 DFADMP C[N@@H+](Cc1cc(O)ccc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000625347808 399529680 /nfs/dbraw/zinc/52/96/80/399529680.db2.gz HBWQNMPAGPOZAZ-LBPRGKRZSA-N 2 1 305.809 2.937 20 0 DFADMP C[N@H+](Cc1cc(O)ccc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000625347808 399529684 /nfs/dbraw/zinc/52/96/84/399529684.db2.gz HBWQNMPAGPOZAZ-LBPRGKRZSA-N 2 1 305.809 2.937 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422991260 296364479 /nfs/dbraw/zinc/36/44/79/296364479.db2.gz AQYDNPMOQWSQNV-WBVHZDCISA-N 2 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000422991260 296364480 /nfs/dbraw/zinc/36/44/80/296364480.db2.gz AQYDNPMOQWSQNV-WBVHZDCISA-N 2 1 318.509 2.867 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422992521 296364803 /nfs/dbraw/zinc/36/48/03/296364803.db2.gz CUZIDBYXTLVEEX-AKHDSKFASA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422992521 296364805 /nfs/dbraw/zinc/36/48/05/296364805.db2.gz CUZIDBYXTLVEEX-AKHDSKFASA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422992521 296364806 /nfs/dbraw/zinc/36/48/06/296364806.db2.gz CUZIDBYXTLVEEX-AKHDSKFASA-N 2 1 307.526 2.865 20 0 DFADMP CC[C@@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]1 ZINC000422992892 296364896 /nfs/dbraw/zinc/36/48/96/296364896.db2.gz RYNAAPYQJGAFGT-OLZOCXBDSA-N 2 1 317.355 2.599 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423005331 296366273 /nfs/dbraw/zinc/36/62/73/296366273.db2.gz RMPFAMLAMJEQSC-BHIYHBOVSA-N 2 1 303.494 2.655 20 0 DFADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422997691 296365538 /nfs/dbraw/zinc/36/55/38/296365538.db2.gz VKBDKSBXNLZXLF-QZTJIDSGSA-N 2 1 302.466 2.548 20 0 DFADMP COc1cccc(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000423007745 296366491 /nfs/dbraw/zinc/36/64/91/296366491.db2.gz RKSLUYMXGYUCFG-ROUUACIJSA-N 2 1 311.429 2.716 20 0 DFADMP CC[C@H]([NH2+]CCNc1cc(OC)cc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000423007480 296366497 /nfs/dbraw/zinc/36/64/97/296366497.db2.gz XUEGRKNOCNKROV-ROUUACIJSA-N 2 1 321.465 2.626 20 0 DFADMP CO[C@@H](C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000625373107 399537220 /nfs/dbraw/zinc/53/72/20/399537220.db2.gz BVXXRWCZOXVTLL-YOEHRIQHSA-N 2 1 317.408 2.904 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000625373107 399537224 /nfs/dbraw/zinc/53/72/24/399537224.db2.gz BVXXRWCZOXVTLL-YOEHRIQHSA-N 2 1 317.408 2.904 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423026688 296369258 /nfs/dbraw/zinc/36/92/58/296369258.db2.gz BYCLZISVVRXXPP-IHPCNDPISA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423026688 296369259 /nfs/dbraw/zinc/36/92/59/296369259.db2.gz BYCLZISVVRXXPP-IHPCNDPISA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423026688 296369260 /nfs/dbraw/zinc/36/92/60/296369260.db2.gz BYCLZISVVRXXPP-IHPCNDPISA-N 3 1 313.489 2.629 20 0 DFADMP CCO[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000625384381 399539747 /nfs/dbraw/zinc/53/97/47/399539747.db2.gz MLOSUCPHDAVCMK-ZCNNSNEGSA-N 2 1 314.473 2.865 20 0 DFADMP CCO[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000625384381 399539750 /nfs/dbraw/zinc/53/97/50/399539750.db2.gz MLOSUCPHDAVCMK-ZCNNSNEGSA-N 2 1 314.473 2.865 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1)C(C)C ZINC000261703881 285097698 /nfs/dbraw/zinc/09/76/98/285097698.db2.gz BOSFACARQQQISL-IBGZPJMESA-N 2 1 317.477 2.728 20 0 DFADMP CC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000262047898 285100758 /nfs/dbraw/zinc/10/07/58/285100758.db2.gz ZGFAEHLQWOBTPL-QGZVFWFLSA-N 2 1 304.482 2.890 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077850 399545498 /nfs/dbraw/zinc/54/54/98/399545498.db2.gz FBKJHWNGOXITST-WBVHZDCISA-N 2 1 302.466 2.794 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624077850 399545504 /nfs/dbraw/zinc/54/55/04/399545504.db2.gz FBKJHWNGOXITST-WBVHZDCISA-N 2 1 302.466 2.794 20 0 DFADMP CC[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423063687 296373736 /nfs/dbraw/zinc/37/37/36/296373736.db2.gz XGAOHEUFBZTNRK-MSOLQXFVSA-N 2 1 321.896 2.818 20 0 DFADMP Cn1ccnc1CN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159047955 197321867 /nfs/dbraw/zinc/32/18/67/197321867.db2.gz VPMPDGBDOWOGTE-MOPGFXCFSA-N 2 1 324.472 2.907 20 0 DFADMP CC[N@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)CCC(F)(F)F ZINC000423079250 296375908 /nfs/dbraw/zinc/37/59/08/296375908.db2.gz QHSXTYKVYXSMBT-HUUCEWRRSA-N 2 1 315.383 2.995 20 0 DFADMP CC[N@@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)CCC(F)(F)F ZINC000423079250 296375909 /nfs/dbraw/zinc/37/59/09/296375909.db2.gz QHSXTYKVYXSMBT-HUUCEWRRSA-N 2 1 315.383 2.995 20 0 DFADMP C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]1 ZINC000423082824 296376434 /nfs/dbraw/zinc/37/64/34/296376434.db2.gz XUTOALVHQXHYGK-AAEUAGOBSA-N 2 1 317.355 2.599 20 0 DFADMP Brc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423107252 296379037 /nfs/dbraw/zinc/37/90/37/296379037.db2.gz DZCUMFDZBMUXBO-CYBMUJFWSA-N 2 1 311.223 2.614 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120049 399559213 /nfs/dbraw/zinc/55/92/13/399559213.db2.gz QKTPLWNSEULUJI-GJZGRUSLSA-N 2 1 321.440 2.864 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121452 399560510 /nfs/dbraw/zinc/56/05/10/399560510.db2.gz WUUGTLMBKWRPKT-CABCVRRESA-N 2 1 321.440 2.864 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110807 296379537 /nfs/dbraw/zinc/37/95/37/296379537.db2.gz VFRKHPQBDGURCO-YOEHRIQHSA-N 2 1 305.441 2.904 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423112616 296380036 /nfs/dbraw/zinc/38/00/36/296380036.db2.gz SFMUWUQOBGCXCG-JGVFFNPUSA-N 2 1 307.182 2.943 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@@H]2c2ccccc2)c2ccccc21 ZINC000423124029 296381555 /nfs/dbraw/zinc/38/15/55/296381555.db2.gz NYZQSLZIJGQOBH-YSTOQKLRSA-N 2 1 308.425 2.887 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423121514 296381016 /nfs/dbraw/zinc/38/10/16/296381016.db2.gz IPNLHDZSFLOSDZ-MJGOQNOKSA-N 2 1 319.493 2.808 20 0 DFADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423137265 296383224 /nfs/dbraw/zinc/38/32/24/296383224.db2.gz QLZKCIDVAWDJDZ-IEBWSBKVSA-N 2 1 303.494 2.801 20 0 DFADMP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423138590 296383444 /nfs/dbraw/zinc/38/34/44/296383444.db2.gz YBQCERWYVUKDMS-BHIYHBOVSA-N 2 1 318.436 2.950 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423139420 296383562 /nfs/dbraw/zinc/38/35/62/296383562.db2.gz ZWOLRPOWILRMDC-XIRDDKMYSA-N 2 1 305.441 2.915 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423144111 296384451 /nfs/dbraw/zinc/38/44/51/296384451.db2.gz YMPRAINJXRLYFG-CABCVRRESA-N 2 1 304.482 2.699 20 0 DFADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423169394 296387857 /nfs/dbraw/zinc/38/78/57/296387857.db2.gz JOPNPBDFDUTLTL-KBAYOESNSA-N 2 1 317.477 2.626 20 0 DFADMP CC(C)O[C@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423182824 296389264 /nfs/dbraw/zinc/38/92/64/296389264.db2.gz FPMPTPPBYWKWTH-SJORKVTESA-N 2 1 305.466 2.743 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)c(F)c1 ZINC000423185207 296389750 /nfs/dbraw/zinc/38/97/50/296389750.db2.gz MZEKOTAIHDSFFL-SECBINFHSA-N 2 1 301.203 2.991 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(OC)c2)[C@H](C)C1 ZINC000157673710 197207132 /nfs/dbraw/zinc/20/71/32/197207132.db2.gz OXVBAWACOXRAQW-QAPCUYQASA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(OC)c2)[C@H](C)C1 ZINC000157673710 197207133 /nfs/dbraw/zinc/20/71/33/197207133.db2.gz OXVBAWACOXRAQW-QAPCUYQASA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(OC)c2)[C@H](C)C1 ZINC000157673710 197207135 /nfs/dbraw/zinc/20/71/35/197207135.db2.gz OXVBAWACOXRAQW-QAPCUYQASA-N 2 1 306.450 2.736 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC(F)(F)F ZINC000423195896 296391254 /nfs/dbraw/zinc/39/12/54/296391254.db2.gz YIEHWWCFTLHHOA-IGQOVBAYSA-N 2 1 308.388 2.712 20 0 DFADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OCC[NH+](C)C)c1 ZINC000423206794 296392534 /nfs/dbraw/zinc/39/25/34/296392534.db2.gz DAIUIUIHMMEBKD-NAZJXLNTSA-N 2 1 317.477 2.561 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)Nc1ccsc1 ZINC000157404522 197185732 /nfs/dbraw/zinc/18/57/32/197185732.db2.gz MJHSWQPRJYDZAF-OAHLLOKOSA-N 2 1 324.494 2.628 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCNc3ccccc32)CC1 ZINC000347800319 285180807 /nfs/dbraw/zinc/18/08/07/285180807.db2.gz LJGKDBLDYBCDAN-LPHOPBHVSA-N 2 1 317.477 2.616 20 0 DFADMP C[C@@H]([NH3+])CC[NH2+][C@H](C)c1ccccc1I ZINC000423227249 296394709 /nfs/dbraw/zinc/39/47/09/296394709.db2.gz VBIIZIALCPSBBG-NXEZZACHSA-N 2 1 318.202 2.679 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000423240287 296395878 /nfs/dbraw/zinc/39/58/78/296395878.db2.gz CAVIZLPWONNQCG-FFGOWVMKSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000423240287 296395879 /nfs/dbraw/zinc/39/58/79/296395879.db2.gz CAVIZLPWONNQCG-FFGOWVMKSA-N 2 1 313.489 2.771 20 0 DFADMP N[C@H](C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423244526 296396653 /nfs/dbraw/zinc/39/66/53/296396653.db2.gz HPHFSRRTKQBNQN-QWFCFKBJSA-N 2 1 323.440 2.532 20 0 DFADMP Cc1ccc(-c2ncc(C[NH2+]CC3([NH3+])CCOCC3)s2)cc1 ZINC000629389532 399591363 /nfs/dbraw/zinc/59/13/63/399591363.db2.gz ZUMKXZXWINIUOA-UHFFFAOYSA-N 2 1 317.458 2.716 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)c(Br)c1 ZINC000423274659 296399477 /nfs/dbraw/zinc/39/94/77/296399477.db2.gz KRAXSXIWZRALFR-SDBXPKJASA-N 2 1 301.203 2.976 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423275346 296399789 /nfs/dbraw/zinc/39/97/89/296399789.db2.gz LSUMBNFYKORWAI-CABCVRRESA-N 2 1 309.251 2.633 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423298035 296401827 /nfs/dbraw/zinc/40/18/27/296401827.db2.gz MWGJJHNZTOXUMS-HVEKOLDVSA-N 2 1 315.461 2.926 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000271546006 209000042 /nfs/dbraw/zinc/00/00/42/209000042.db2.gz RJSLTCLOGLTXLA-NWDGAFQWSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)CC[N@H+]1C ZINC000271546006 209000046 /nfs/dbraw/zinc/00/00/46/209000046.db2.gz RJSLTCLOGLTXLA-NWDGAFQWSA-N 2 1 317.355 2.552 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602846042 399598628 /nfs/dbraw/zinc/59/86/28/399598628.db2.gz OZYAWMHVNICDEP-UHFFFAOYSA-N 2 1 319.449 2.716 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH3+])c(Br)c1 ZINC000423313279 296403173 /nfs/dbraw/zinc/40/31/73/296403173.db2.gz WURFGVIMTJVZRU-ZJUUUORDSA-N 2 1 301.228 2.703 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423324238 296404332 /nfs/dbraw/zinc/40/43/32/296404332.db2.gz AXBKRLNTCAJOPT-GXTWGEPZSA-N 2 1 302.397 2.580 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCc2cnccc2C)C1 ZINC000347864954 285215528 /nfs/dbraw/zinc/21/55/28/285215528.db2.gz OCNHYDMKWRAERI-LJQANCHMSA-N 2 1 319.493 2.755 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000620799422 399601454 /nfs/dbraw/zinc/60/14/54/399601454.db2.gz NPMUMWITUQHOFG-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP C[C@H]1C[C@H](C[NH2+]CC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000120355978 195149669 /nfs/dbraw/zinc/14/96/69/195149669.db2.gz IBYUHPCGALODIJ-QFBILLFUSA-N 2 1 300.446 2.833 20 0 DFADMP CCN1CCC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347882881 285223565 /nfs/dbraw/zinc/22/35/65/285223565.db2.gz VGPMJNZYIZOSMM-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000347882881 285223568 /nfs/dbraw/zinc/22/35/68/285223568.db2.gz VGPMJNZYIZOSMM-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000347882881 285223572 /nfs/dbraw/zinc/22/35/72/285223572.db2.gz VGPMJNZYIZOSMM-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000347882881 285223577 /nfs/dbraw/zinc/22/35/77/285223577.db2.gz VGPMJNZYIZOSMM-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347882881 285223582 /nfs/dbraw/zinc/22/35/82/285223582.db2.gz VGPMJNZYIZOSMM-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423349677 296407294 /nfs/dbraw/zinc/40/72/94/296407294.db2.gz WDOFYWGSOWVFKW-FZMZJTMJSA-N 2 1 302.340 2.592 20 0 DFADMP C[C@@H]1C[C@H](C[NH2+]CC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000120355838 195150179 /nfs/dbraw/zinc/15/01/79/195150179.db2.gz IBYUHPCGALODIJ-VQIMIIECSA-N 2 1 300.446 2.833 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000155201674 197032558 /nfs/dbraw/zinc/03/25/58/197032558.db2.gz SQUOATIARKSAQX-HLLBOEOZSA-N 2 1 320.477 2.955 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000347914256 285241979 /nfs/dbraw/zinc/24/19/79/285241979.db2.gz WGUSONNCNOPLLG-QGZVFWFLSA-N 2 1 319.493 2.697 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878016 399612253 /nfs/dbraw/zinc/61/22/53/399612253.db2.gz OISOYRBBYDURNA-KRWDZBQOSA-N 2 1 316.445 2.627 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1ccc(OC(F)(F)F)cc1 ZINC000423434136 296416377 /nfs/dbraw/zinc/41/63/77/296416377.db2.gz PWQJPBLIMZRQPO-RQJABVFESA-N 2 1 300.324 2.844 20 0 DFADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423470200 296419177 /nfs/dbraw/zinc/41/91/77/296419177.db2.gz GOTDQWXPUQRABJ-FZMZJTMJSA-N 2 1 314.351 2.656 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347940098 285258734 /nfs/dbraw/zinc/25/87/34/285258734.db2.gz XENLFRSMQURWND-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC000423485606 296420828 /nfs/dbraw/zinc/42/08/28/296420828.db2.gz TXIAETZFKKOTGM-WDEREUQCSA-N 2 1 302.340 2.730 20 0 DFADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)ccc2c1 ZINC000423504358 296423075 /nfs/dbraw/zinc/42/30/75/296423075.db2.gz FWQMAEJAACNCKT-KUHUBIRLSA-N 2 1 314.429 2.878 20 0 DFADMP CCCC(=O)NC[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120431544 195165846 /nfs/dbraw/zinc/16/58/46/195165846.db2.gz MODDAEZTIZSURM-QGZVFWFLSA-N 2 1 320.481 2.600 20 0 DFADMP CCCC(=O)NC[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120431544 195165847 /nfs/dbraw/zinc/16/58/47/195165847.db2.gz MODDAEZTIZSURM-QGZVFWFLSA-N 2 1 320.481 2.600 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(OC(F)(F)F)c1 ZINC000423527363 296426196 /nfs/dbraw/zinc/42/61/96/296426196.db2.gz VSPGODHQVASZNJ-BXUZGUMPSA-N 2 1 318.339 2.614 20 0 DFADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120625404 195203382 /nfs/dbraw/zinc/20/33/82/195203382.db2.gz SMSAWTBNSSBSBE-QGZVFWFLSA-N 2 1 304.482 2.970 20 0 DFADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000120625404 195203385 /nfs/dbraw/zinc/20/33/85/195203385.db2.gz SMSAWTBNSSBSBE-QGZVFWFLSA-N 2 1 304.482 2.970 20 0 DFADMP Cc1n[nH]c(C)c1C[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120625567 195203913 /nfs/dbraw/zinc/20/39/13/195203913.db2.gz SMSAWTBNSSBSBE-KRWDZBQOSA-N 2 1 304.482 2.970 20 0 DFADMP Cc1n[nH]c(C)c1C[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000120625567 195203915 /nfs/dbraw/zinc/20/39/15/195203915.db2.gz SMSAWTBNSSBSBE-KRWDZBQOSA-N 2 1 304.482 2.970 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624257723 399617901 /nfs/dbraw/zinc/61/79/01/399617901.db2.gz NXWCKUXPJAKCBR-QAPCUYQASA-N 2 1 311.429 2.787 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000289472221 221000684 /nfs/dbraw/zinc/00/06/84/221000684.db2.gz HLJNLOABZMNGCF-QZTJIDSGSA-N 2 1 304.478 2.788 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000289472221 221000686 /nfs/dbraw/zinc/00/06/86/221000686.db2.gz HLJNLOABZMNGCF-QZTJIDSGSA-N 2 1 304.478 2.788 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624270416 399623263 /nfs/dbraw/zinc/62/32/63/399623263.db2.gz QOFXJAMPHBLNSU-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624270416 399623266 /nfs/dbraw/zinc/62/32/66/399623266.db2.gz QOFXJAMPHBLNSU-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624270416 399623268 /nfs/dbraw/zinc/62/32/68/399623268.db2.gz QOFXJAMPHBLNSU-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624270416 399623271 /nfs/dbraw/zinc/62/32/71/399623271.db2.gz QOFXJAMPHBLNSU-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624270416 399623274 /nfs/dbraw/zinc/62/32/74/399623274.db2.gz QOFXJAMPHBLNSU-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000289620421 221108848 /nfs/dbraw/zinc/10/88/48/221108848.db2.gz RJKGICBYGOXIQL-SFHVURJKSA-N 2 1 321.440 2.899 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289632083 221116389 /nfs/dbraw/zinc/11/63/89/221116389.db2.gz HITYEGOSFLWHPD-JTQLQIEISA-N 2 1 309.211 2.700 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(COCCOC)cc2)CC1 ZINC000289639794 221121616 /nfs/dbraw/zinc/12/16/16/221121616.db2.gz GZNZBYQZTQUSCR-UHFFFAOYSA-N 2 1 320.477 2.814 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000289720792 221177717 /nfs/dbraw/zinc/17/77/17/221177717.db2.gz JOYCDFSRVASQNI-HNNXBMFYSA-N 2 1 320.481 2.990 20 0 DFADMP CC(C)n1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nn1 ZINC000289755350 221203027 /nfs/dbraw/zinc/20/30/27/221203027.db2.gz OFENLELLTOQHHM-UHFFFAOYSA-N 2 1 313.449 2.745 20 0 DFADMP CO[C@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624299039 399630744 /nfs/dbraw/zinc/63/07/44/399630744.db2.gz CEMRYQAETAUMDG-QOFQOLBTSA-N 2 1 300.446 2.949 20 0 DFADMP FC(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000629518172 399632340 /nfs/dbraw/zinc/63/23/40/399632340.db2.gz FLYMPLHPVJFKFP-BBWFWOEESA-N 2 1 323.431 2.799 20 0 DFADMP FC(F)CN1CCC[C@@H]1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629518174 399632628 /nfs/dbraw/zinc/63/26/28/399632628.db2.gz FLYMPLHPVJFKFP-GVDBMIGSSA-N 2 1 323.431 2.799 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(C(F)(F)F)cc1 ZINC000629520114 399633612 /nfs/dbraw/zinc/63/36/12/399633612.db2.gz DDHVGRVWDPHFSW-LLVKDONJSA-N 2 1 302.340 2.864 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000624309687 399634073 /nfs/dbraw/zinc/63/40/73/399634073.db2.gz UPTBASFUMLDXDJ-OQIJWPOYSA-N 2 1 302.462 2.912 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000624309687 399634078 /nfs/dbraw/zinc/63/40/78/399634078.db2.gz UPTBASFUMLDXDJ-OQIJWPOYSA-N 2 1 302.462 2.912 20 0 DFADMP CCO[C@H](C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000629522871 399634894 /nfs/dbraw/zinc/63/48/94/399634894.db2.gz HYQIDIVXWYUVNI-GOEBONIOSA-N 2 1 323.506 2.678 20 0 DFADMP CCO[C@H](C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000629522871 399634898 /nfs/dbraw/zinc/63/48/98/399634898.db2.gz HYQIDIVXWYUVNI-GOEBONIOSA-N 2 1 323.506 2.678 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000629524675 399634825 /nfs/dbraw/zinc/63/48/25/399634825.db2.gz SRXXBZLDJIGGPU-LLVKDONJSA-N 2 1 302.340 2.864 20 0 DFADMP COCCOCc1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000289876675 221285704 /nfs/dbraw/zinc/28/57/04/221285704.db2.gz WVOKZSGMFVNYGI-UHFFFAOYSA-N 2 1 308.466 2.670 20 0 DFADMP COCCOCc1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1 ZINC000289876675 221285710 /nfs/dbraw/zinc/28/57/10/221285710.db2.gz WVOKZSGMFVNYGI-UHFFFAOYSA-N 2 1 308.466 2.670 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(Br)c1 ZINC000629525235 399635663 /nfs/dbraw/zinc/63/56/63/399635663.db2.gz YXILREGZKMRKNY-NSHDSACASA-N 2 1 313.239 2.608 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000629528317 399636590 /nfs/dbraw/zinc/63/65/90/399636590.db2.gz WFWYWSZDAJYFRV-GDAAHCPNSA-N 2 1 301.478 2.770 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cc(C)nc(N3CCCC3)c2)CC1 ZINC000289915730 221313905 /nfs/dbraw/zinc/31/39/05/221313905.db2.gz UQLQIKFJBYLEIS-UHFFFAOYSA-N 2 1 316.493 2.954 20 0 DFADMP OCc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532035 399637744 /nfs/dbraw/zinc/63/77/44/399637744.db2.gz JCAQWQBWVRHTLJ-JKSUJKDBSA-N 2 1 306.425 2.530 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289982717 221359688 /nfs/dbraw/zinc/35/96/88/221359688.db2.gz XZBOAURBJWFCKS-REPLKXPHSA-N 2 1 310.445 2.737 20 0 DFADMP CC[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000629545438 399642958 /nfs/dbraw/zinc/64/29/58/399642958.db2.gz HQHYICOHSHIDON-CVEARBPZSA-N 2 1 319.840 2.707 20 0 DFADMP CC[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000629545651 399643133 /nfs/dbraw/zinc/64/31/33/399643133.db2.gz IJAKXYFNDIPTLC-JKSUJKDBSA-N 2 1 319.840 2.707 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552802 399646372 /nfs/dbraw/zinc/64/63/72/399646372.db2.gz QJIPYHDUARNZQC-VNHYZAJKSA-N 2 1 312.404 2.961 20 0 DFADMP Cc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629560650 399649611 /nfs/dbraw/zinc/64/96/11/399649611.db2.gz GEVPELHYWWDSRU-CABCVRRESA-N 2 1 300.368 2.997 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1 ZINC000629563770 399650401 /nfs/dbraw/zinc/65/04/01/399650401.db2.gz RALGISYYBWJDQB-MGPQQGTHSA-N 2 1 308.388 2.651 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)C1CCCC1 ZINC000629563768 399651024 /nfs/dbraw/zinc/65/10/24/399651024.db2.gz RALGISYYBWJDQB-HZSPNIEDSA-N 2 1 308.388 2.651 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ccccc1Br ZINC000629572194 399652054 /nfs/dbraw/zinc/65/20/54/399652054.db2.gz XPRBDVOYFGJBBY-LBPRGKRZSA-N 2 1 315.255 2.678 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccccc1Br ZINC000629572194 399652062 /nfs/dbraw/zinc/65/20/62/399652062.db2.gz XPRBDVOYFGJBBY-LBPRGKRZSA-N 2 1 315.255 2.678 20 0 DFADMP COc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629569629 399652159 /nfs/dbraw/zinc/65/21/59/399652159.db2.gz YFLZGQLMJORHNO-ZFWWWQNUSA-N 2 1 316.367 2.697 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@@H]1C(F)(F)F ZINC000629656411 399677505 /nfs/dbraw/zinc/67/75/05/399677505.db2.gz OHNUZDQKUKWRSK-KBPBESRZSA-N 2 1 313.367 2.614 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@@H]1C(F)(F)F ZINC000629656411 399677506 /nfs/dbraw/zinc/67/75/06/399677506.db2.gz OHNUZDQKUKWRSK-KBPBESRZSA-N 2 1 313.367 2.614 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000629654900 399677530 /nfs/dbraw/zinc/67/75/30/399677530.db2.gz UCTRVGZXHYCTOA-UHFFFAOYSA-N 2 1 321.248 2.670 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)c(OC)cc1Cl ZINC000629654900 399677532 /nfs/dbraw/zinc/67/75/32/399677532.db2.gz UCTRVGZXHYCTOA-UHFFFAOYSA-N 2 1 321.248 2.670 20 0 DFADMP Cn1cc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(-c2ccccc2)n1 ZINC000629666531 399682886 /nfs/dbraw/zinc/68/28/86/399682886.db2.gz QSSLAWYTZLNADM-KDURUIRLSA-N 2 1 310.445 2.519 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c(-c2ccccc2)n1 ZINC000629666531 399682888 /nfs/dbraw/zinc/68/28/88/399682888.db2.gz QSSLAWYTZLNADM-KDURUIRLSA-N 2 1 310.445 2.519 20 0 DFADMP Cc1noc([C@@H](C)N2CC[C@@H](CNc3cccc(C)n3)C2)n1 ZINC000624484670 399686469 /nfs/dbraw/zinc/68/64/69/399686469.db2.gz RXZYPBQMWRBHNU-OCCSQVGLSA-N 2 1 301.394 2.576 20 0 DFADMP C[NH2+]CC(=O)Nc1ccc(-c2cccc(C[N@@H+](C)C3CC3)c2)cn1 ZINC000629708765 399697768 /nfs/dbraw/zinc/69/77/68/399697768.db2.gz PKDJTKCCQQSOET-UHFFFAOYSA-N 2 1 324.428 2.501 20 0 DFADMP c1cnn(CC[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)c1 ZINC000262024260 257257529 /nfs/dbraw/zinc/25/75/29/257257529.db2.gz ZIESKBSNTUVSPH-INIZCTEOSA-N 2 1 316.474 2.589 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000093643821 542553486 /nfs/dbraw/zinc/55/34/86/542553486.db2.gz RMTPEBFDIUYJTP-SJLPKXTDSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000093643821 542553489 /nfs/dbraw/zinc/55/34/89/542553489.db2.gz RMTPEBFDIUYJTP-SJLPKXTDSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000093643821 542553493 /nfs/dbraw/zinc/55/34/93/542553493.db2.gz RMTPEBFDIUYJTP-SJLPKXTDSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[NH+]1C ZINC000093643821 542553498 /nfs/dbraw/zinc/55/34/98/542553498.db2.gz RMTPEBFDIUYJTP-SJLPKXTDSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[NH+]1C ZINC000093643821 542553504 /nfs/dbraw/zinc/55/35/04/542553504.db2.gz RMTPEBFDIUYJTP-SJLPKXTDSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000093643821 542553505 /nfs/dbraw/zinc/55/35/05/542553505.db2.gz RMTPEBFDIUYJTP-SJLPKXTDSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000093643821 542553510 /nfs/dbraw/zinc/55/35/10/542553510.db2.gz RMTPEBFDIUYJTP-SJLPKXTDSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@@H]1[C@H](C)OCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093418733 542554050 /nfs/dbraw/zinc/55/40/50/542554050.db2.gz OJRBOLVQBUPWGU-SJORKVTESA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1[C@H](C)OCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000093418733 542554057 /nfs/dbraw/zinc/55/40/57/542554057.db2.gz OJRBOLVQBUPWGU-SJORKVTESA-N 2 1 318.461 2.770 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCCO2)cc1 ZINC000092427466 542547609 /nfs/dbraw/zinc/54/76/09/542547609.db2.gz GCSZXIRVUJKQEA-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000295039846 224397383 /nfs/dbraw/zinc/39/73/83/224397383.db2.gz MNVXLULSBYGWQB-LCWAXJCOSA-N 2 1 314.473 2.648 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507481 399719823 /nfs/dbraw/zinc/71/98/23/399719823.db2.gz YNZFEWHLHHCDII-BBWFWOEESA-N 2 1 311.514 2.591 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507481 399719827 /nfs/dbraw/zinc/71/98/27/399719827.db2.gz YNZFEWHLHHCDII-BBWFWOEESA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000617503613 399720535 /nfs/dbraw/zinc/72/05/35/399720535.db2.gz QPUAAOULUJNXBM-WNRNVDISSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1[C@@H]2CCCCCC[C@@H]21 ZINC000617503613 399720536 /nfs/dbraw/zinc/72/05/36/399720536.db2.gz QPUAAOULUJNXBM-WNRNVDISSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000617506794 399721018 /nfs/dbraw/zinc/72/10/18/399721018.db2.gz ZFAIWVIQHWMSJJ-HOTGVXAUSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC(C)(C)C1 ZINC000617506794 399721021 /nfs/dbraw/zinc/72/10/21/399721021.db2.gz ZFAIWVIQHWMSJJ-HOTGVXAUSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000617504790 399720405 /nfs/dbraw/zinc/72/04/05/399720405.db2.gz KMFQIPWMYOBVNS-IKGGRYGDSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCC[C@@H](C)C1 ZINC000617504790 399720411 /nfs/dbraw/zinc/72/04/11/399720411.db2.gz KMFQIPWMYOBVNS-IKGGRYGDSA-N 2 1 311.514 2.591 20 0 DFADMP CC(C)C[C@H](C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348089534 285339681 /nfs/dbraw/zinc/33/96/81/285339681.db2.gz VJOATJVDOBCGDD-PKOBYXMFSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)C[C@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348089534 285339686 /nfs/dbraw/zinc/33/96/86/285339686.db2.gz VJOATJVDOBCGDD-PKOBYXMFSA-N 2 1 304.478 2.895 20 0 DFADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1C[C@@H](O)C1 ZINC000626047307 399733234 /nfs/dbraw/zinc/73/32/34/399733234.db2.gz IODQEMXPLISFOM-KDURUIRLSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@H]([NH2+]Cc1ncccc1O)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348108360 285354562 /nfs/dbraw/zinc/35/45/62/285354562.db2.gz CGXXSTONCWHDOV-RDJZCZTQSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@H]([NH2+]Cc1ncccc1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348108360 285354563 /nfs/dbraw/zinc/35/45/63/285354563.db2.gz CGXXSTONCWHDOV-RDJZCZTQSA-N 2 1 311.429 2.787 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000348112111 285357137 /nfs/dbraw/zinc/35/71/37/285357137.db2.gz VZMYPRDGDSPATM-CHWSQXEVSA-N 2 1 308.388 2.950 20 0 DFADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)ccc1F ZINC000121113140 195295362 /nfs/dbraw/zinc/29/53/62/195295362.db2.gz OMARNPKGANROAF-OAHLLOKOSA-N 2 1 308.441 2.659 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CCCCO2)CC1 ZINC000122191738 195416712 /nfs/dbraw/zinc/41/67/12/195416712.db2.gz YFDJBTBADLQHAK-GOSISDBHSA-N 2 1 312.498 2.626 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130120 285369907 /nfs/dbraw/zinc/36/99/07/285369907.db2.gz UUOKTRMAAVIWBH-ZWKOTPCHSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130120 285369911 /nfs/dbraw/zinc/36/99/11/285369911.db2.gz UUOKTRMAAVIWBH-ZWKOTPCHSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130120 285369914 /nfs/dbraw/zinc/36/99/14/285369914.db2.gz UUOKTRMAAVIWBH-ZWKOTPCHSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000123106451 195544618 /nfs/dbraw/zinc/54/46/18/195544618.db2.gz MBDJQTAIMPNRQN-UHFFFAOYSA-N 2 1 321.440 2.818 20 0 DFADMP CC[N@@H+](CCCc1cnn(C)c1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062480 399741645 /nfs/dbraw/zinc/74/16/45/399741645.db2.gz UCGABFRDCVQHED-UHFFFAOYSA-N 2 1 314.477 2.936 20 0 DFADMP C[C@@H]([NH2+]CCC(C)(C)CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294736417 533372750 /nfs/dbraw/zinc/37/27/50/533372750.db2.gz GTAZPDPNQLCMIB-SJLPKXTDSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696085 533418482 /nfs/dbraw/zinc/41/84/82/533418482.db2.gz DZORIRUKZMBUEA-AEFFLSMTSA-N 2 1 312.461 2.983 20 0 DFADMP COc1ccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c(OC)c1OC ZINC000317119576 533539369 /nfs/dbraw/zinc/53/93/69/533539369.db2.gz HLKBNAJJXOUNFP-CQSZACIVSA-N 2 1 310.438 2.518 20 0 DFADMP COc1ccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c(OC)c1OC ZINC000317119576 533539373 /nfs/dbraw/zinc/53/93/73/533539373.db2.gz HLKBNAJJXOUNFP-CQSZACIVSA-N 2 1 310.438 2.518 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000120982210 542581444 /nfs/dbraw/zinc/58/14/44/542581444.db2.gz PHXPBLMVFWBWJS-CQSZACIVSA-N 2 1 307.457 2.707 20 0 DFADMP C[C@]12CCCC[C@H]1C[NH+]2CC(O)C[N@@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626103652 399754293 /nfs/dbraw/zinc/75/42/93/399754293.db2.gz JYTPXXJOVIRETG-CAMMJAKZSA-N 2 1 306.494 2.876 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000124008758 542595014 /nfs/dbraw/zinc/59/50/14/542595014.db2.gz QSFXTWKNNQYBNE-MRXNPFEDSA-N 3 1 303.494 2.958 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2cncnc2)CC[N@H+]1Cc1ccccc1 ZINC000124054992 542596396 /nfs/dbraw/zinc/59/63/96/542596396.db2.gz NXUACOVWZWKTGW-LPHOPBHVSA-N 2 1 310.445 2.962 20 0 DFADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCCO1 ZINC000128121689 542616839 /nfs/dbraw/zinc/61/68/39/542616839.db2.gz ALWUPEKOQPYJMA-LJQANCHMSA-N 2 1 318.461 2.772 20 0 DFADMP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1CCc2ccsc2C1 ZINC000132831795 542643803 /nfs/dbraw/zinc/64/38/03/542643803.db2.gz DTUACACDMNYNDR-KRWDZBQOSA-N 2 1 316.470 2.599 20 0 DFADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCc2ccsc2C1 ZINC000132831795 542643806 /nfs/dbraw/zinc/64/38/06/542643806.db2.gz DTUACACDMNYNDR-KRWDZBQOSA-N 2 1 316.470 2.599 20 0 DFADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC000629990565 399784295 /nfs/dbraw/zinc/78/42/95/399784295.db2.gz CTGCDPNDJIQARQ-DNVCBOLYSA-N 2 1 317.477 2.587 20 0 DFADMP C/C=C/C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162672 399782164 /nfs/dbraw/zinc/78/21/64/399782164.db2.gz XPQXQYBRTHZFJJ-BDUNBXCCSA-N 2 1 321.509 2.654 20 0 DFADMP Fc1ccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)cc1F ZINC000152168429 542675532 /nfs/dbraw/zinc/67/55/32/542675532.db2.gz DPQHOXDIHBELET-UHFFFAOYSA-N 2 1 303.356 2.725 20 0 DFADMP C[C@H](C[NH+]1CCCCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000151850047 542670511 /nfs/dbraw/zinc/67/05/11/542670511.db2.gz BZMQTGSHCWEPMC-QGZVFWFLSA-N 2 1 316.493 2.510 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000340232554 131239943 /nfs/dbraw/zinc/23/99/43/131239943.db2.gz QFYJKCGXZXOGGY-SZVBFZGTSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000340232554 131239944 /nfs/dbraw/zinc/23/99/44/131239944.db2.gz QFYJKCGXZXOGGY-SZVBFZGTSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000340232554 131239946 /nfs/dbraw/zinc/23/99/46/131239946.db2.gz QFYJKCGXZXOGGY-SZVBFZGTSA-N 2 1 301.478 2.894 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1 ZINC000155254000 542695060 /nfs/dbraw/zinc/69/50/60/542695060.db2.gz VARDJKQGSCPIBT-UHFFFAOYSA-N 2 1 315.461 2.777 20 0 DFADMP c1cc2cccc(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)c2[nH]1 ZINC000603516939 399786628 /nfs/dbraw/zinc/78/66/28/399786628.db2.gz GKQQBGCLVRFBOS-GOSISDBHSA-N 2 1 313.445 2.901 20 0 DFADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000163840495 132125006 /nfs/dbraw/zinc/12/50/06/132125006.db2.gz TUPQAZHVKQARCS-STQMWFEESA-N 2 1 309.841 2.585 20 0 DFADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166099181 542749415 /nfs/dbraw/zinc/74/94/15/542749415.db2.gz WDQYRIPPTSVXSI-IEBWSBKVSA-N 2 1 310.445 2.631 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H](Nc2cc(CC)[nH+]c(C)n2)[C@@H](C)C1 ZINC000180437014 542784298 /nfs/dbraw/zinc/78/42/98/542784298.db2.gz YKPAGCRXUGBGLT-YOEHRIQHSA-N 2 1 320.481 2.896 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](Nc2cc(CC)[nH+]c(C)n2)[C@@H](C)C1 ZINC000180437014 542784300 /nfs/dbraw/zinc/78/43/00/542784300.db2.gz YKPAGCRXUGBGLT-YOEHRIQHSA-N 2 1 320.481 2.896 20 0 DFADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000180426165 542784719 /nfs/dbraw/zinc/78/47/19/542784719.db2.gz UFOWLARRHSKYIA-YJBOKZPZSA-N 2 1 312.461 2.933 20 0 DFADMP Cc1n[nH]cc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000180426165 542784720 /nfs/dbraw/zinc/78/47/20/542784720.db2.gz UFOWLARRHSKYIA-YJBOKZPZSA-N 2 1 312.461 2.933 20 0 DFADMP C[C@H]1C[C@H](Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000182249530 542793879 /nfs/dbraw/zinc/79/38/79/542793879.db2.gz MKYYUHNWEZNMTI-DOTOQJQBSA-N 2 1 317.477 2.538 20 0 DFADMP CCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000617924916 399834273 /nfs/dbraw/zinc/83/42/73/399834273.db2.gz BBVBETHKZGMTSO-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CCn1nnc(C)c1C[NH2+][C@@H]1CCCC[C@@H]1C[NH+](CC)CC ZINC000449179297 297418572 /nfs/dbraw/zinc/41/85/72/297418572.db2.gz VKIHHASTJJMZCP-HZPDHXFCSA-N 2 1 307.486 2.597 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]CCCn1cc[nH+]c1C)CC2 ZINC000280270935 542987997 /nfs/dbraw/zinc/98/79/97/542987997.db2.gz XWXMNMDTHIAGLY-MRXNPFEDSA-N 2 1 315.417 2.876 20 0 DFADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285531097 542998286 /nfs/dbraw/zinc/99/82/86/542998286.db2.gz KWYUFRWKRCDSKE-AQNXPRMDSA-N 2 1 314.473 2.888 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285531097 542998288 /nfs/dbraw/zinc/99/82/88/542998288.db2.gz KWYUFRWKRCDSKE-AQNXPRMDSA-N 2 1 314.473 2.888 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285531097 542998292 /nfs/dbraw/zinc/99/82/92/542998292.db2.gz KWYUFRWKRCDSKE-AQNXPRMDSA-N 2 1 314.473 2.888 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000296651693 543035808 /nfs/dbraw/zinc/03/58/08/543035808.db2.gz YXKAFRQOPKNTRW-UCMJJCQDSA-N 2 1 316.445 2.906 20 0 DFADMP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928286 399837601 /nfs/dbraw/zinc/83/76/01/399837601.db2.gz MVZIYMYNEHGLQH-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CC)C1 ZINC000617928286 399837604 /nfs/dbraw/zinc/83/76/04/399837604.db2.gz MVZIYMYNEHGLQH-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CC)C1 ZINC000617928286 399837606 /nfs/dbraw/zinc/83/76/06/399837606.db2.gz MVZIYMYNEHGLQH-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309754141 543065960 /nfs/dbraw/zinc/06/59/60/543065960.db2.gz WRFPMLSSJZKESJ-GUDVDZBRSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309754141 543065963 /nfs/dbraw/zinc/06/59/63/543065963.db2.gz WRFPMLSSJZKESJ-GUDVDZBRSA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309754141 543065964 /nfs/dbraw/zinc/06/59/64/543065964.db2.gz WRFPMLSSJZKESJ-GUDVDZBRSA-N 3 1 301.478 2.758 20 0 DFADMP COC1CC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000309888648 543066645 /nfs/dbraw/zinc/06/66/45/543066645.db2.gz CTKWEANBLXCBBF-ARZKPCJCSA-N 2 1 300.446 2.664 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309754145 543065471 /nfs/dbraw/zinc/06/54/71/543065471.db2.gz WRFPMLSSJZKESJ-QRVBRYPASA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309754145 543065475 /nfs/dbraw/zinc/06/54/75/543065475.db2.gz WRFPMLSSJZKESJ-QRVBRYPASA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309754145 543065479 /nfs/dbraw/zinc/06/54/79/543065479.db2.gz WRFPMLSSJZKESJ-QRVBRYPASA-N 3 1 301.478 2.758 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000321352630 543085213 /nfs/dbraw/zinc/08/52/13/543085213.db2.gz YHCLDQOGHLHERD-QFBILLFUSA-N 2 1 318.461 2.928 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000321352626 543085506 /nfs/dbraw/zinc/08/55/06/543085506.db2.gz YHCLDQOGHLHERD-APWZRJJASA-N 2 1 318.461 2.928 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1C[NH+](C)C ZINC000339275487 543143772 /nfs/dbraw/zinc/14/37/72/543143772.db2.gz LHXVWIRQTGGFME-INIZCTEOSA-N 2 1 317.477 2.629 20 0 DFADMP Clc1cccnc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339073690 543139293 /nfs/dbraw/zinc/13/92/93/543139293.db2.gz DDULYRXTHFMGQC-SOUVJXGZSA-N 2 1 320.868 2.530 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000339071102 543139682 /nfs/dbraw/zinc/13/96/82/543139682.db2.gz QCJUJZXPGSIQFJ-SJORKVTESA-N 2 1 302.466 2.644 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000339071102 543139684 /nfs/dbraw/zinc/13/96/84/543139684.db2.gz QCJUJZXPGSIQFJ-SJORKVTESA-N 2 1 302.466 2.644 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@H](CNc2cc(C)ccn2)C1)C1CC1 ZINC000625156099 399855039 /nfs/dbraw/zinc/85/50/39/399855039.db2.gz UXGICYBQPHFWMW-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@H](C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000625156099 399855044 /nfs/dbraw/zinc/85/50/44/399855044.db2.gz UXGICYBQPHFWMW-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000625156099 399855048 /nfs/dbraw/zinc/85/50/48/399855048.db2.gz UXGICYBQPHFWMW-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000339244662 543142120 /nfs/dbraw/zinc/14/21/20/543142120.db2.gz ALYUCHPKGPSZQE-HNNXBMFYSA-N 2 1 303.450 2.951 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH+]1CCCC[C@H]1C ZINC000339251297 543142140 /nfs/dbraw/zinc/14/21/40/543142140.db2.gz CQENFCLBQXNLIX-XMTFNYHQSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339251297 543142142 /nfs/dbraw/zinc/14/21/42/543142142.db2.gz CQENFCLBQXNLIX-XMTFNYHQSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339251297 543142145 /nfs/dbraw/zinc/14/21/45/543142145.db2.gz CQENFCLBQXNLIX-XMTFNYHQSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N[C@H](C)c2ccccc2)C[C@H]1C ZINC000625215016 399862083 /nfs/dbraw/zinc/86/20/83/399862083.db2.gz YHFZEUNBGWPRGE-JFIYKMOQSA-N 2 1 317.477 2.668 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](CC[C@H](C)[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348247787 543184115 /nfs/dbraw/zinc/18/41/15/543184115.db2.gz WOXPYJCOCNZRFP-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348247787 543184118 /nfs/dbraw/zinc/18/41/18/543184118.db2.gz WOXPYJCOCNZRFP-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348247787 543184120 /nfs/dbraw/zinc/18/41/20/543184120.db2.gz WOXPYJCOCNZRFP-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000625256879 399868417 /nfs/dbraw/zinc/86/84/17/399868417.db2.gz VOISQSXHVBTRTB-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379659412 543297410 /nfs/dbraw/zinc/29/74/10/543297410.db2.gz ZVQFQEOSGLUAPX-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953233 543297513 /nfs/dbraw/zinc/29/75/13/543297513.db2.gz SGQYRABOAVXFTM-HKUYNNGSSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953233 543297514 /nfs/dbraw/zinc/29/75/14/543297514.db2.gz SGQYRABOAVXFTM-HKUYNNGSSA-N 2 1 315.505 2.828 20 0 DFADMP COCC[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000384360830 543299500 /nfs/dbraw/zinc/29/95/00/543299500.db2.gz MRFADGJMVIVQLQ-UHFFFAOYSA-N 2 1 310.441 2.981 20 0 DFADMP CCC[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389794624 543305469 /nfs/dbraw/zinc/30/54/69/543305469.db2.gz SOIDRABGOANWHZ-YLJYHZDGSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000389794624 543305471 /nfs/dbraw/zinc/30/54/71/543305471.db2.gz SOIDRABGOANWHZ-YLJYHZDGSA-N 2 1 315.505 2.971 20 0 DFADMP CN1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390637268 543306492 /nfs/dbraw/zinc/30/64/92/543306492.db2.gz GHSWXHAGRUUNRO-UMQXSMKFSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390637268 543306502 /nfs/dbraw/zinc/30/65/02/543306502.db2.gz GHSWXHAGRUUNRO-UMQXSMKFSA-N 2 1 313.489 2.866 20 0 DFADMP COc1cc2ccnc(NCC[N@@H+]3CC=CCC3)c2cc1OC ZINC000392830184 543309418 /nfs/dbraw/zinc/30/94/18/543309418.db2.gz OBYIUIFIGLPUMM-UHFFFAOYSA-N 2 1 313.401 2.926 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000164570526 145225391 /nfs/dbraw/zinc/22/53/91/145225391.db2.gz QAYNOXULCGSAAW-GOEBONIOSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000165352605 145228865 /nfs/dbraw/zinc/22/88/65/145228865.db2.gz VWJRXPIZNKBQID-BEFAXECRSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000165352605 145228871 /nfs/dbraw/zinc/22/88/71/145228871.db2.gz VWJRXPIZNKBQID-BEFAXECRSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165369093 145229261 /nfs/dbraw/zinc/22/92/61/145229261.db2.gz IHKCTGCBJPZTTB-KXBFYZLASA-N 2 1 319.468 2.720 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165369093 145229266 /nfs/dbraw/zinc/22/92/66/145229266.db2.gz IHKCTGCBJPZTTB-KXBFYZLASA-N 2 1 319.468 2.720 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000165348851 145229394 /nfs/dbraw/zinc/22/93/94/145229394.db2.gz RATNOQAJSFUNSQ-MJGOQNOKSA-N 2 1 302.462 2.566 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCS2)[C@H](C)C1 ZINC000168677178 145244026 /nfs/dbraw/zinc/24/40/26/145244026.db2.gz DOWKVMPGITVFEL-OWCLPIDISA-N 2 1 300.512 2.609 20 0 DFADMP Cc1cncc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000402678887 543313207 /nfs/dbraw/zinc/31/32/07/543313207.db2.gz GROWDJDPMCYRBA-UHFFFAOYSA-N 2 1 310.445 2.582 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)cc1 ZINC000172248695 145297621 /nfs/dbraw/zinc/29/76/21/145297621.db2.gz AIPPNVOJSUYQAS-IBGZPJMESA-N 2 1 302.462 2.793 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000414925360 543327889 /nfs/dbraw/zinc/32/78/89/543327889.db2.gz LQMJQAHQFUBNSP-PKOBYXMFSA-N 2 1 319.468 2.692 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)[C@H](C)[NH3+] ZINC000415025130 543328438 /nfs/dbraw/zinc/32/84/38/543328438.db2.gz ZPKQZVWRQWLKAP-VHSXEESVSA-N 2 1 308.223 2.823 20 0 DFADMP CCCC[C@H](CC)CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415103158 543328636 /nfs/dbraw/zinc/32/86/36/543328636.db2.gz CSLJEWPPRJBKDQ-DOTOQJQBSA-N 2 1 307.486 2.980 20 0 DFADMP CN(Cc1ccc(Br)cn1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000172582918 145307675 /nfs/dbraw/zinc/30/76/75/145307675.db2.gz IWEIRPUPGVHOHZ-GFCCVEGCSA-N 2 1 312.255 2.618 20 0 DFADMP Cc1csc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)n1 ZINC000173209578 145336555 /nfs/dbraw/zinc/33/65/55/145336555.db2.gz BZCAUEDZGOGPED-GJZGRUSLSA-N 2 1 323.506 2.773 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000633318938 399886473 /nfs/dbraw/zinc/88/64/73/399886473.db2.gz FJMQIXZQXBTVBO-KSZLIROESA-N 2 1 315.461 2.904 20 0 DFADMP C[C@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000630508127 399896009 /nfs/dbraw/zinc/89/60/09/399896009.db2.gz HHNDCGSYEANHIC-GJZGRUSLSA-N 2 1 323.444 2.797 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630510219 399896378 /nfs/dbraw/zinc/89/63/78/399896378.db2.gz UNQGVKNWOPDUBY-CZUORRHYSA-N 2 1 309.417 2.536 20 0 DFADMP C[C@@H](CCCC[NH3+])Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630516425 399897503 /nfs/dbraw/zinc/89/75/03/399897503.db2.gz FPXGJJZEMVNYND-AWEZNQCLSA-N 2 1 311.433 2.926 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000630559098 399903261 /nfs/dbraw/zinc/90/32/61/399903261.db2.gz OVAAJZAENNOLTP-GXSJLCMTSA-N 2 1 306.207 2.923 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000630559100 399903294 /nfs/dbraw/zinc/90/32/94/399903294.db2.gz OVAAJZAENNOLTP-MWLCHTKSSA-N 2 1 306.207 2.923 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000631035031 399965950 /nfs/dbraw/zinc/96/59/50/399965950.db2.gz IGFWKIKRXGQGLU-HNNXBMFYSA-N 2 1 303.450 2.999 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)c1 ZINC000631035031 399965952 /nfs/dbraw/zinc/96/59/52/399965952.db2.gz IGFWKIKRXGQGLU-HNNXBMFYSA-N 2 1 303.450 2.999 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000631112663 399982998 /nfs/dbraw/zinc/98/29/98/399982998.db2.gz QTRJDXGSQBUHEW-UHFFFAOYSA-N 2 1 303.450 2.857 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C)cc2F)CC1 ZINC000631041478 399967932 /nfs/dbraw/zinc/96/79/32/399967932.db2.gz KDVVCCFKWCXRKR-UHFFFAOYSA-N 2 1 307.457 2.641 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000631045384 399968453 /nfs/dbraw/zinc/96/84/53/399968453.db2.gz DMTOKWAOLNXYSU-OAHLLOKOSA-N 2 1 303.450 2.857 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000631047238 399968632 /nfs/dbraw/zinc/96/86/32/399968632.db2.gz QXGGDRBZNKCDSD-UHFFFAOYSA-N 2 1 307.369 2.528 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631065901 399972866 /nfs/dbraw/zinc/97/28/66/399972866.db2.gz VZIZLSPZPMXKBB-OAHLLOKOSA-N 2 1 304.482 2.509 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631065901 399972867 /nfs/dbraw/zinc/97/28/67/399972867.db2.gz VZIZLSPZPMXKBB-OAHLLOKOSA-N 2 1 304.482 2.509 20 0 DFADMP Cc1cc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)on1 ZINC000631069311 399973878 /nfs/dbraw/zinc/97/38/78/399973878.db2.gz ACXXFHCLKUCGOQ-UHFFFAOYSA-N 2 1 318.421 2.590 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@@H]3C)C2)CC[N@H+]1C ZINC000630853202 399939468 /nfs/dbraw/zinc/93/94/68/399939468.db2.gz SBECENJVEVTEHT-FLXSYLCISA-N 2 1 321.509 2.581 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH+]1C ZINC000630853202 399939470 /nfs/dbraw/zinc/93/94/70/399939470.db2.gz SBECENJVEVTEHT-FLXSYLCISA-N 2 1 321.509 2.581 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([N@@H+]3[C@H](C)CC[C@@H]3C)C2)CC[NH+]1C ZINC000630853202 399939471 /nfs/dbraw/zinc/93/94/71/399939471.db2.gz SBECENJVEVTEHT-FLXSYLCISA-N 2 1 321.509 2.581 20 0 DFADMP Cc1ncc(C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)o1 ZINC000628157483 399993138 /nfs/dbraw/zinc/99/31/38/399993138.db2.gz JASWIPBRYSJJFB-UHFFFAOYSA-N 2 1 314.433 2.517 20 0 DFADMP Cc1ncc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)o1 ZINC000628157483 399993140 /nfs/dbraw/zinc/99/31/40/399993140.db2.gz JASWIPBRYSJJFB-UHFFFAOYSA-N 2 1 314.433 2.517 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195265 400000682 /nfs/dbraw/zinc/00/06/82/400000682.db2.gz DIBJODLSRCWCJJ-SJLPKXTDSA-N 2 1 312.461 2.586 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195265 400000685 /nfs/dbraw/zinc/00/06/85/400000685.db2.gz DIBJODLSRCWCJJ-SJLPKXTDSA-N 2 1 312.461 2.586 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195539 400000844 /nfs/dbraw/zinc/00/08/44/400000844.db2.gz HYMMJXIDIDIZDU-APWZRJJASA-N 2 1 310.445 2.841 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195539 400000845 /nfs/dbraw/zinc/00/08/45/400000845.db2.gz HYMMJXIDIDIZDU-APWZRJJASA-N 2 1 310.445 2.841 20 0 DFADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnc(C)o2)cc1 ZINC000628203606 400001133 /nfs/dbraw/zinc/00/11/33/400001133.db2.gz OYNKNLLFONTYNT-UHFFFAOYSA-N 2 1 317.433 2.993 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631197081 400001583 /nfs/dbraw/zinc/00/15/83/400001583.db2.gz WZMWJHXLYSZRFT-BEFAXECRSA-N 2 1 310.445 2.643 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631197081 400001584 /nfs/dbraw/zinc/00/15/84/400001584.db2.gz WZMWJHXLYSZRFT-BEFAXECRSA-N 2 1 310.445 2.643 20 0 DFADMP C[NH+]1CC[C@@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1(C)C ZINC000628288529 400014406 /nfs/dbraw/zinc/01/44/06/400014406.db2.gz NAPRDOVHRIIJCD-MSOLQXFVSA-N 2 1 317.477 2.538 20 0 DFADMP C[NH+]1CC[C@@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1(C)C ZINC000628288529 400014409 /nfs/dbraw/zinc/01/44/09/400014409.db2.gz NAPRDOVHRIIJCD-MSOLQXFVSA-N 2 1 317.477 2.538 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000628352400 400024753 /nfs/dbraw/zinc/02/47/53/400024753.db2.gz HARUOKHDWMVHSZ-QGZVFWFLSA-N 2 1 301.434 2.711 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000628352400 400024754 /nfs/dbraw/zinc/02/47/54/400024754.db2.gz HARUOKHDWMVHSZ-QGZVFWFLSA-N 2 1 301.434 2.711 20 0 DFADMP c1ccc2nc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cnc2c1 ZINC000628352964 400024803 /nfs/dbraw/zinc/02/48/03/400024803.db2.gz BDGXLQCMFPKFIW-INIZCTEOSA-N 2 1 310.445 2.841 20 0 DFADMP c1ccc2nc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cnc2c1 ZINC000628352964 400024805 /nfs/dbraw/zinc/02/48/05/400024805.db2.gz BDGXLQCMFPKFIW-INIZCTEOSA-N 2 1 310.445 2.841 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631587110 400055254 /nfs/dbraw/zinc/05/52/54/400055254.db2.gz CIWBVQQPUUQPNM-YCPHGPKFSA-N 2 1 304.434 2.981 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631587110 400055256 /nfs/dbraw/zinc/05/52/56/400055256.db2.gz CIWBVQQPUUQPNM-YCPHGPKFSA-N 2 1 304.434 2.981 20 0 DFADMP C([NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631647249 400061492 /nfs/dbraw/zinc/06/14/92/400061492.db2.gz GBFCVNKMYJCEPZ-XDNAFOTISA-N 2 1 304.478 2.656 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631668194 400064450 /nfs/dbraw/zinc/06/44/50/400064450.db2.gz WBQILNCIORDPIS-SOLBZPMBSA-N 2 1 312.461 2.839 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000631749938 400072212 /nfs/dbraw/zinc/07/22/12/400072212.db2.gz YBQKFDARVRYHOF-QRQLOZEOSA-N 2 1 301.478 2.642 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+](C)[C@H](C)C3)C2)cc1 ZINC000631749938 400072214 /nfs/dbraw/zinc/07/22/14/400072214.db2.gz YBQKFDARVRYHOF-QRQLOZEOSA-N 2 1 301.478 2.642 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+](C)[C@H](C)C3)C2)cc1 ZINC000631749938 400072215 /nfs/dbraw/zinc/07/22/15/400072215.db2.gz YBQKFDARVRYHOF-QRQLOZEOSA-N 2 1 301.478 2.642 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000631821577 400077648 /nfs/dbraw/zinc/07/76/48/400077648.db2.gz CDTPMVYISHWLAQ-INMHGKMJSA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000631821577 400077649 /nfs/dbraw/zinc/07/76/49/400077649.db2.gz CDTPMVYISHWLAQ-INMHGKMJSA-N 2 1 305.466 2.558 20 0 DFADMP c1csc(C[N@@H+](C[C@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000631824571 400077779 /nfs/dbraw/zinc/07/77/79/400077779.db2.gz KHGIUVVKXWJAEB-CABCVRRESA-N 2 1 321.490 2.656 20 0 DFADMP c1csc(C[N@H+](C[C@H]2CCCCO2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000631824571 400077780 /nfs/dbraw/zinc/07/77/80/400077780.db2.gz KHGIUVVKXWJAEB-CABCVRRESA-N 2 1 321.490 2.656 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000631839825 400078845 /nfs/dbraw/zinc/07/88/45/400078845.db2.gz LKCSOFUDYNYBNN-DGCLKSJQSA-N 2 1 302.340 2.654 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000631840456 400079060 /nfs/dbraw/zinc/07/90/60/400079060.db2.gz CLHFNLTWWBWSSA-DYEKYZERSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000631840456 400079061 /nfs/dbraw/zinc/07/90/61/400079061.db2.gz CLHFNLTWWBWSSA-DYEKYZERSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000631840468 400079072 /nfs/dbraw/zinc/07/90/72/400079072.db2.gz CLHFNLTWWBWSSA-OBJOEFQTSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@H](C)[C@@H](C[NH3+])C3)n2)cc1F ZINC000631840468 400079073 /nfs/dbraw/zinc/07/90/73/400079073.db2.gz CLHFNLTWWBWSSA-OBJOEFQTSA-N 2 1 318.396 2.772 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000236723374 146024641 /nfs/dbraw/zinc/02/46/41/146024641.db2.gz BMHZTFKKIYAVGL-FUHWJXTLSA-N 2 1 317.477 2.627 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000236914044 146031650 /nfs/dbraw/zinc/03/16/50/146031650.db2.gz QPJXHIGEFNLIFO-AHIWAGSCSA-N 2 1 314.433 2.731 20 0 DFADMP CCN(C(=O)[C@H](C)C[NH2+]C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047607 146035390 /nfs/dbraw/zinc/03/53/90/146035390.db2.gz GMNACYPXEQXIOG-RYRKJORJSA-N 2 1 317.477 2.526 20 0 DFADMP [NH3+][C@H](C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1)c1ccccc1 ZINC000238002280 146057141 /nfs/dbraw/zinc/05/71/41/146057141.db2.gz OMWGBLFZGNYVNB-MSOLQXFVSA-N 2 1 315.461 2.553 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245422570 146069642 /nfs/dbraw/zinc/06/96/42/146069642.db2.gz IYFYFZIOFUAKGC-YOEHRIQHSA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245422570 146069644 /nfs/dbraw/zinc/06/96/44/146069644.db2.gz IYFYFZIOFUAKGC-YOEHRIQHSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245422570 146069647 /nfs/dbraw/zinc/06/96/47/146069647.db2.gz IYFYFZIOFUAKGC-YOEHRIQHSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)[C@@H](C)C1 ZINC000245422570 146069649 /nfs/dbraw/zinc/06/96/49/146069649.db2.gz IYFYFZIOFUAKGC-YOEHRIQHSA-N 2 1 304.434 2.635 20 0 DFADMP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC000245681738 146093578 /nfs/dbraw/zinc/09/35/78/146093578.db2.gz JAIXPRKSCHMOHJ-BCDXTJNWSA-N 2 1 300.446 2.808 20 0 DFADMP C[NH+](C)CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245744278 146099107 /nfs/dbraw/zinc/09/91/07/146099107.db2.gz SESOHOMVQCOFPK-LDLYASANSA-N 2 1 301.478 2.723 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2NC(C)=O)[C@@H](C)C1 ZINC000245757782 146101432 /nfs/dbraw/zinc/10/14/32/146101432.db2.gz OYUDPFXJGMTXPX-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2NC(C)=O)[C@@H](C)C1 ZINC000245757782 146101434 /nfs/dbraw/zinc/10/14/34/146101434.db2.gz OYUDPFXJGMTXPX-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2NC(C)=O)[C@@H](C)C1 ZINC000245757782 146101437 /nfs/dbraw/zinc/10/14/37/146101437.db2.gz OYUDPFXJGMTXPX-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2NC(C)=O)[C@@H](C)C1 ZINC000245757782 146101439 /nfs/dbraw/zinc/10/14/39/146101439.db2.gz OYUDPFXJGMTXPX-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)c3ccccc32)[C@H](C)C1 ZINC000245924280 146110922 /nfs/dbraw/zinc/11/09/22/146110922.db2.gz RTWXHBLWFPCEDW-NUJGCVRESA-N 2 1 301.478 2.930 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000246213720 146131211 /nfs/dbraw/zinc/13/12/11/146131211.db2.gz YVVHKXMZUDOLFD-DOTOQJQBSA-N 2 1 300.450 2.805 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246446668 146138855 /nfs/dbraw/zinc/13/88/55/146138855.db2.gz OWJABDJTTGFTHX-YJBOKZPZSA-N 2 1 306.450 2.784 20 0 DFADMP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1C ZINC000246688331 146149992 /nfs/dbraw/zinc/14/99/92/146149992.db2.gz YQTSGUFBBDRSNP-OLZOCXBDSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1C ZINC000246688331 146149993 /nfs/dbraw/zinc/14/99/93/146149993.db2.gz YQTSGUFBBDRSNP-OLZOCXBDSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2ccc(F)cc2)CC1 ZINC000247374210 146168298 /nfs/dbraw/zinc/16/82/98/146168298.db2.gz VAYDGHIINLCEJS-HUUCEWRRSA-N 2 1 308.441 2.911 20 0 DFADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000249031026 146182855 /nfs/dbraw/zinc/18/28/55/146182855.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC000249031026 146182859 /nfs/dbraw/zinc/18/28/59/146182859.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000249031026 146182862 /nfs/dbraw/zinc/18/28/62/146182862.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000249031026 146182866 /nfs/dbraw/zinc/18/28/66/146182866.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000249031026 146182869 /nfs/dbraw/zinc/18/28/69/146182869.db2.gz RCRABHYFWIYBCA-VJNRDTIXSA-N 2 1 313.489 2.864 20 0 DFADMP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000249041519 146184010 /nfs/dbraw/zinc/18/40/10/146184010.db2.gz UVUYSVDQSNTNHD-LTFPLMDUSA-N 2 1 314.473 2.933 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453235701 543371861 /nfs/dbraw/zinc/37/18/61/543371861.db2.gz AQWKTCSZNLWYAU-ZCNNSNEGSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453235701 543371864 /nfs/dbraw/zinc/37/18/64/543371864.db2.gz AQWKTCSZNLWYAU-ZCNNSNEGSA-N 2 1 324.472 2.953 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1Br ZINC000261543287 146238659 /nfs/dbraw/zinc/23/86/59/146238659.db2.gz CTDYBSQEMCFOII-BBBLOLIVSA-N 2 1 301.228 2.844 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544197 146237887 /nfs/dbraw/zinc/23/78/87/146237887.db2.gz IOTVUSFFSAVSLR-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544197 146237889 /nfs/dbraw/zinc/23/78/89/146237889.db2.gz IOTVUSFFSAVSLR-HKUYNNGSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544197 146237892 /nfs/dbraw/zinc/23/78/92/146237892.db2.gz IOTVUSFFSAVSLR-HKUYNNGSSA-N 3 1 315.505 2.971 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000261546066 146239750 /nfs/dbraw/zinc/23/97/50/146239750.db2.gz KRAQNKLTWYQCKD-KDURUIRLSA-N 2 1 308.425 2.917 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)cc2)cc1 ZINC000261546066 146239753 /nfs/dbraw/zinc/23/97/53/146239753.db2.gz KRAQNKLTWYQCKD-KDURUIRLSA-N 2 1 308.425 2.917 20 0 DFADMP [NH3+][C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261555151 146239808 /nfs/dbraw/zinc/23/98/08/146239808.db2.gz UUDHVEJSSMBFKT-DBVUQKKJSA-N 2 1 307.441 2.995 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545457 146239917 /nfs/dbraw/zinc/23/99/17/146239917.db2.gz KAULMUCOKZAHJD-QXAKKESOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545457 146239920 /nfs/dbraw/zinc/23/99/20/146239920.db2.gz KAULMUCOKZAHJD-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545457 146239927 /nfs/dbraw/zinc/23/99/27/146239927.db2.gz KAULMUCOKZAHJD-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@@H]21 ZINC000261644301 146252158 /nfs/dbraw/zinc/25/21/58/146252158.db2.gz AMPCTJWVFBRSSZ-DOPJRALCSA-N 2 1 314.408 2.571 20 0 DFADMP CN(C)[C@H](c1nc(C2(N)CCC2)no1)c1cccc(Cl)c1 ZINC000261721049 146265278 /nfs/dbraw/zinc/26/52/78/146265278.db2.gz JPGQLUBWJOJLML-LBPRGKRZSA-N 2 1 306.797 2.712 20 0 DFADMP CN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261732898 146268007 /nfs/dbraw/zinc/26/80/07/146268007.db2.gz HJFCOGVKBXEFAR-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)Nc1cccc(F)c1 ZINC000261759628 146272181 /nfs/dbraw/zinc/27/21/81/146272181.db2.gz PRPIVFXYRRFTNH-UHFFFAOYSA-N 2 1 319.424 2.618 20 0 DFADMP C[C@H]([NH3+])CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000261814188 146281987 /nfs/dbraw/zinc/28/19/87/146281987.db2.gz MALSKJNQHAACDZ-XHSDSOJGSA-N 2 1 317.477 2.518 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817047 146282027 /nfs/dbraw/zinc/28/20/27/146282027.db2.gz IBDITNVLLNRCGJ-ZYSHUDEJSA-N 2 1 310.445 2.565 20 0 DFADMP C[C@]1(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC[NH2+]C1 ZINC000261879607 146293101 /nfs/dbraw/zinc/29/31/01/146293101.db2.gz QQVSRVDVTYBPIA-KRWDZBQOSA-N 2 1 310.388 2.808 20 0 DFADMP NC1(c2noc(-c3cccc(Cn4ccnc4)c3)n2)CCCC1 ZINC000261905394 146298964 /nfs/dbraw/zinc/29/89/64/146298964.db2.gz ZAZWIPBCTDQXEA-UHFFFAOYSA-N 2 1 309.373 2.709 20 0 DFADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1 ZINC000261920007 146301599 /nfs/dbraw/zinc/30/15/99/146301599.db2.gz BMJJSEFENFAIDQ-UHFFFAOYSA-N 2 1 310.445 2.507 20 0 DFADMP c1cc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cs1 ZINC000261923552 146302648 /nfs/dbraw/zinc/30/26/48/146302648.db2.gz IFXZZKFAGIHCQD-CQSZACIVSA-N 2 1 318.446 2.762 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261927417 146303795 /nfs/dbraw/zinc/30/37/95/146303795.db2.gz IXJBTXQAFOBMOY-OAHLLOKOSA-N 2 1 303.450 2.809 20 0 DFADMP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000261942226 146307572 /nfs/dbraw/zinc/30/75/72/146307572.db2.gz MXSUGMJMRRZWAX-OAGGEKHMSA-N 2 1 323.506 2.556 20 0 DFADMP CCC[N@@H+](C[C@@H]1COc2ccccc2O1)C[C@]1(C)CC[NH2+]C1 ZINC000261970121 146311734 /nfs/dbraw/zinc/31/17/34/146311734.db2.gz IFINKKUAHXYQKJ-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261970262 146311884 /nfs/dbraw/zinc/31/18/84/146311884.db2.gz QKWNAPBIWKAMOK-QRVBRYPASA-N 2 1 302.462 2.593 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262080034 146331317 /nfs/dbraw/zinc/33/13/17/146331317.db2.gz DWSUORUTUODFGJ-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262080034 146331320 /nfs/dbraw/zinc/33/13/20/146331320.db2.gz DWSUORUTUODFGJ-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262145376 146339166 /nfs/dbraw/zinc/33/91/66/146339166.db2.gz QJNNWBKAWVZFQM-LBPRGKRZSA-N 2 1 300.805 2.919 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3CC[C@@H](C[NH3+])C3)CCC2)c1 ZINC000262191806 146341892 /nfs/dbraw/zinc/34/18/92/146341892.db2.gz YTFUNWWSDHIPNU-KRWDZBQOSA-N 2 1 318.461 2.663 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262305296 146350560 /nfs/dbraw/zinc/35/05/60/146350560.db2.gz OZXWFJQVSKTYQQ-XHSDSOJGSA-N 2 1 304.434 2.523 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000459522015 543394142 /nfs/dbraw/zinc/39/41/42/543394142.db2.gz HJRBZGQOYSHDTG-IAGOWNOFSA-N 2 1 318.852 2.651 20 0 DFADMP CC(C)[NH+](CCCNC(=O)CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000354372170 147012300 /nfs/dbraw/zinc/01/23/00/147012300.db2.gz LUVHCLVVDADMRI-KRWDZBQOSA-N 2 1 311.514 2.876 20 0 DFADMP CCc1ncc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)s1 ZINC000354497069 147059088 /nfs/dbraw/zinc/05/90/88/147059088.db2.gz IVZRPLMDTSLILB-YIONKMFJSA-N 2 1 323.506 2.779 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCOC(C)(C)C)CC1 ZINC000354681512 147114795 /nfs/dbraw/zinc/11/47/95/147114795.db2.gz UWHZYGOETBTVBE-MRXNPFEDSA-N 2 1 314.514 2.606 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000526041099 543429056 /nfs/dbraw/zinc/42/90/56/543429056.db2.gz GNILGZSOPTZGFG-CJNGLKHVSA-N 2 1 304.434 2.623 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355213566 147225023 /nfs/dbraw/zinc/22/50/23/147225023.db2.gz FKGMNOPPAKKVNG-POAQFYNOSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355213566 147225026 /nfs/dbraw/zinc/22/50/26/147225026.db2.gz FKGMNOPPAKKVNG-POAQFYNOSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213566 147225029 /nfs/dbraw/zinc/22/50/29/147225029.db2.gz FKGMNOPPAKKVNG-POAQFYNOSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355213566 147225032 /nfs/dbraw/zinc/22/50/32/147225032.db2.gz FKGMNOPPAKKVNG-POAQFYNOSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213566 147225035 /nfs/dbraw/zinc/22/50/35/147225035.db2.gz FKGMNOPPAKKVNG-POAQFYNOSA-N 2 1 313.489 2.581 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225431 147230384 /nfs/dbraw/zinc/23/03/84/147230384.db2.gz RTLNTEFTTGSABZ-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225431 147230389 /nfs/dbraw/zinc/23/03/89/147230389.db2.gz RTLNTEFTTGSABZ-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc(-n4cccn4)c3)CC[C@H]21 ZINC000355225431 147230390 /nfs/dbraw/zinc/23/03/90/147230390.db2.gz RTLNTEFTTGSABZ-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc([S@@](C)=O)cc2)C[C@H]1n1ccnc1 ZINC000355252607 147240116 /nfs/dbraw/zinc/24/01/16/147240116.db2.gz JJAKZUCBBVHDDB-UZSYQUHHSA-N 2 1 317.458 2.704 20 0 DFADMP C[C@@H]1CCN(Cc2ccc([S@@](C)=O)cc2)C[C@H]1n1ccnc1 ZINC000355252607 147240118 /nfs/dbraw/zinc/24/01/18/147240118.db2.gz JJAKZUCBBVHDDB-UZSYQUHHSA-N 2 1 317.458 2.704 20 0 DFADMP Cc1ccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000355315847 147260871 /nfs/dbraw/zinc/26/08/71/147260871.db2.gz NEJWFNVEKNOEFO-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)c1C ZINC000355365349 147285097 /nfs/dbraw/zinc/28/50/97/147285097.db2.gz MEXZHEBAGCHNHJ-INIZCTEOSA-N 2 1 315.465 2.708 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000296727926 286016487 /nfs/dbraw/zinc/01/64/87/286016487.db2.gz IGEQMCRGTOPPCK-OTWHNJEPSA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000296727926 286016489 /nfs/dbraw/zinc/01/64/89/286016489.db2.gz IGEQMCRGTOPPCK-OTWHNJEPSA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000296727926 286016491 /nfs/dbraw/zinc/01/64/91/286016491.db2.gz IGEQMCRGTOPPCK-OTWHNJEPSA-N 2 1 302.462 2.660 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357798204 148126821 /nfs/dbraw/zinc/12/68/21/148126821.db2.gz RFCSKJMOFFVCGJ-YJBOKZPZSA-N 2 1 309.498 2.535 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@@H](C)O)[C@@H](C)C1 ZINC000358168847 148267930 /nfs/dbraw/zinc/26/79/30/148267930.db2.gz OBTFXQPAMJNVRQ-BBWFWOEESA-N 2 1 314.514 2.510 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000358177273 148272790 /nfs/dbraw/zinc/27/27/90/148272790.db2.gz XPENTMMJYJFQIP-QGZVFWFLSA-N 2 1 302.443 2.571 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000358177273 148272795 /nfs/dbraw/zinc/27/27/95/148272795.db2.gz XPENTMMJYJFQIP-QGZVFWFLSA-N 2 1 302.443 2.571 20 0 DFADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358250079 148304386 /nfs/dbraw/zinc/30/43/86/148304386.db2.gz KWVVXLSTDPTXBH-VQIMIIECSA-N 2 1 320.477 2.829 20 0 DFADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358250079 148304388 /nfs/dbraw/zinc/30/43/88/148304388.db2.gz KWVVXLSTDPTXBH-VQIMIIECSA-N 2 1 320.477 2.829 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000358301389 148320507 /nfs/dbraw/zinc/32/05/07/148320507.db2.gz PMFUBKLXFCESSQ-VYDXJSESSA-N 2 1 318.461 2.709 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCCC3)C2)CC1 ZINC000358315829 148326402 /nfs/dbraw/zinc/32/64/02/148326402.db2.gz HLAGYTFUIJFWMN-QGZVFWFLSA-N 2 1 310.482 2.569 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000358351027 148338357 /nfs/dbraw/zinc/33/83/57/148338357.db2.gz HBHRBJYGCLIXPO-HKUYNNGSSA-N 2 1 324.472 2.828 20 0 DFADMP OC[C@H](CC(F)(F)F)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358364198 148343241 /nfs/dbraw/zinc/34/32/41/148343241.db2.gz HRAVNAFWBJXLMP-ZDUSSCGKSA-N 2 1 308.388 2.686 20 0 DFADMP CCC[N@@H+](C)CC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358453315 148365265 /nfs/dbraw/zinc/36/52/65/148365265.db2.gz WBCXDNGQDMCSMR-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000358453315 148365268 /nfs/dbraw/zinc/36/52/68/148365268.db2.gz WBCXDNGQDMCSMR-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000358453315 148365272 /nfs/dbraw/zinc/36/52/72/148365272.db2.gz WBCXDNGQDMCSMR-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000358503573 148379548 /nfs/dbraw/zinc/37/95/48/148379548.db2.gz YUDPOVDFQVFHGO-UHFFFAOYSA-N 2 1 312.417 2.621 20 0 DFADMP Cc1ccccc1-c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)no1 ZINC000358503573 148379556 /nfs/dbraw/zinc/37/95/56/148379556.db2.gz YUDPOVDFQVFHGO-UHFFFAOYSA-N 2 1 312.417 2.621 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000358572579 148389359 /nfs/dbraw/zinc/38/93/59/148389359.db2.gz QPHSBMPEPBQUTH-XUVXKRRUSA-N 2 1 313.489 2.582 20 0 DFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)C1 ZINC000656436000 543516574 /nfs/dbraw/zinc/51/65/74/543516574.db2.gz ARNFSJRLTHDNJK-HXUWFJFHSA-N 2 1 313.489 2.776 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C4CC4)cc3)CC2)C1 ZINC000656436000 543516575 /nfs/dbraw/zinc/51/65/75/543516575.db2.gz ARNFSJRLTHDNJK-HXUWFJFHSA-N 2 1 313.489 2.776 20 0 DFADMP CC1(C)C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC000660446437 543526572 /nfs/dbraw/zinc/52/65/72/543526572.db2.gz FKMGTIRZWNLYJK-KSZLIROESA-N 2 1 300.446 2.618 20 0 DFADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC000660446437 543526574 /nfs/dbraw/zinc/52/65/74/543526574.db2.gz FKMGTIRZWNLYJK-KSZLIROESA-N 2 1 300.446 2.618 20 0 DFADMP CC1(C)C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CO1 ZINC000660446437 543526578 /nfs/dbraw/zinc/52/65/78/543526578.db2.gz FKMGTIRZWNLYJK-KSZLIROESA-N 2 1 300.446 2.618 20 0 DFADMP CC(C)[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361350975 149093988 /nfs/dbraw/zinc/09/39/88/149093988.db2.gz JGHRRBYGLZZQQA-MSOLQXFVSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@H](F)C[C@H]1CO ZINC000361381550 149101572 /nfs/dbraw/zinc/10/15/72/149101572.db2.gz OKXMELUMVWXSCN-CVEARBPZSA-N 2 1 319.424 2.920 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1C[C@H]1c1ccccc1)CC[NH+](C)C ZINC000361395518 149105302 /nfs/dbraw/zinc/10/53/02/149105302.db2.gz OTMFVEOYVHWXSD-MOPGFXCFSA-N 2 1 303.494 2.605 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000361469099 149124370 /nfs/dbraw/zinc/12/43/70/149124370.db2.gz LCEKAUYOYFYWJR-KRWDZBQOSA-N 2 1 314.433 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](CC(N)=O)c1ccccc1 ZINC000361469099 149124372 /nfs/dbraw/zinc/12/43/72/149124372.db2.gz LCEKAUYOYFYWJR-KRWDZBQOSA-N 2 1 314.433 2.520 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000361719445 149200430 /nfs/dbraw/zinc/20/04/30/149200430.db2.gz SYNLSYIDGTVYJV-RDTXWAMCSA-N 2 1 319.424 2.701 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770602 149215540 /nfs/dbraw/zinc/21/55/40/149215540.db2.gz VWNUDRUDCJZUNU-SOLBZPMBSA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770602 149215543 /nfs/dbraw/zinc/21/55/43/149215543.db2.gz VWNUDRUDCJZUNU-SOLBZPMBSA-N 3 1 319.493 2.760 20 0 DFADMP CC[N@@H+](CCC1CCN(Cc2ncccn2)CC1)CC1CC1 ZINC000361857069 149238414 /nfs/dbraw/zinc/23/84/14/149238414.db2.gz BDYONGUKGLXDTF-UHFFFAOYSA-N 2 1 302.466 2.811 20 0 DFADMP CC[N@H+](CCC1CC[NH+](Cc2ncccn2)CC1)CC1CC1 ZINC000361857069 149238416 /nfs/dbraw/zinc/23/84/16/149238416.db2.gz BDYONGUKGLXDTF-UHFFFAOYSA-N 2 1 302.466 2.811 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2ncccn2)CC1)CC1CC1 ZINC000361857069 149238418 /nfs/dbraw/zinc/23/84/18/149238418.db2.gz BDYONGUKGLXDTF-UHFFFAOYSA-N 2 1 302.466 2.811 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361892539 149249186 /nfs/dbraw/zinc/24/91/86/149249186.db2.gz WJFFSOHCBFYQAL-RYQLBKOJSA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361892539 149249187 /nfs/dbraw/zinc/24/91/87/149249187.db2.gz WJFFSOHCBFYQAL-RYQLBKOJSA-N 2 1 322.518 2.601 20 0 DFADMP CC1CCN(C(=[NH2+])NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000361947165 149262508 /nfs/dbraw/zinc/26/25/08/149262508.db2.gz ZAWGPQJBVWUTIV-HOCLYGCPSA-N 2 1 320.506 2.997 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1Cn1cccn1 ZINC000361955903 149264885 /nfs/dbraw/zinc/26/48/85/149264885.db2.gz ZBHVDSWBPYIZRA-KRWDZBQOSA-N 2 1 301.438 2.723 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1Cn1cccn1 ZINC000361955903 149264890 /nfs/dbraw/zinc/26/48/90/149264890.db2.gz ZBHVDSWBPYIZRA-KRWDZBQOSA-N 2 1 301.438 2.723 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCn2ccnc2)CC1 ZINC000362395851 149296499 /nfs/dbraw/zinc/29/64/99/149296499.db2.gz KWUOUFOOKJWCHR-IBGZPJMESA-N 2 1 312.461 2.870 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000362395851 149296503 /nfs/dbraw/zinc/29/65/03/149296503.db2.gz KWUOUFOOKJWCHR-IBGZPJMESA-N 2 1 312.461 2.870 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000362395851 149296505 /nfs/dbraw/zinc/29/65/05/149296505.db2.gz KWUOUFOOKJWCHR-IBGZPJMESA-N 2 1 312.461 2.870 20 0 DFADMP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000362563538 149309435 /nfs/dbraw/zinc/30/94/35/149309435.db2.gz AAWGOWOADISEQY-CVEARBPZSA-N 2 1 317.477 2.741 20 0 DFADMP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000362563540 149309639 /nfs/dbraw/zinc/30/96/39/149309639.db2.gz AAWGOWOADISEQY-HZPDHXFCSA-N 2 1 317.477 2.741 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)ccn1 ZINC000362724667 149351528 /nfs/dbraw/zinc/35/15/28/149351528.db2.gz KUVHOLKMVWIUPX-INIZCTEOSA-N 2 1 312.417 2.728 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362881686 149387828 /nfs/dbraw/zinc/38/78/28/149387828.db2.gz ZOJMNXIJTLDWHL-YJBOKZPZSA-N 2 1 306.425 2.585 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362881686 149387830 /nfs/dbraw/zinc/38/78/30/149387830.db2.gz ZOJMNXIJTLDWHL-YJBOKZPZSA-N 2 1 306.425 2.585 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(CCc2ccccc2)CC1)C1CC1 ZINC000351339515 286121863 /nfs/dbraw/zinc/12/18/63/286121863.db2.gz NEFOUORRYSZCCY-HXUWFJFHSA-N 2 1 316.489 2.786 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(CCc2ccccc2)CC1)C1CC1 ZINC000351339515 286121864 /nfs/dbraw/zinc/12/18/64/286121864.db2.gz NEFOUORRYSZCCY-HXUWFJFHSA-N 2 1 316.489 2.786 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]12 ZINC000351475502 286129518 /nfs/dbraw/zinc/12/95/18/286129518.db2.gz IMTRRZKGHNROAB-IACUBPJLSA-N 2 1 314.351 2.797 20 0 DFADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000351480449 286131171 /nfs/dbraw/zinc/13/11/71/286131171.db2.gz UXXBNEXJOUIAPQ-JQFCIGGWSA-N 2 1 313.401 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000351480449 286131172 /nfs/dbraw/zinc/13/11/72/286131172.db2.gz UXXBNEXJOUIAPQ-JQFCIGGWSA-N 2 1 313.401 2.519 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000351498875 286136353 /nfs/dbraw/zinc/13/63/53/286136353.db2.gz WKSYVHPHRDOOKJ-UGQVUOCMSA-N 2 1 312.417 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000351498875 286136354 /nfs/dbraw/zinc/13/63/54/286136354.db2.gz WKSYVHPHRDOOKJ-UGQVUOCMSA-N 2 1 312.417 2.775 20 0 DFADMP CCO[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C12CCCCC2 ZINC000351513694 286140743 /nfs/dbraw/zinc/14/07/43/286140743.db2.gz MBISMJDYIDTMCI-OKZBNKHCSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C12CCCCC2 ZINC000351513694 286140746 /nfs/dbraw/zinc/14/07/46/286140746.db2.gz MBISMJDYIDTMCI-OKZBNKHCSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C12CCCCC2 ZINC000351513694 286140747 /nfs/dbraw/zinc/14/07/47/286140747.db2.gz MBISMJDYIDTMCI-OKZBNKHCSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C12CCCCC2 ZINC000351513694 286140748 /nfs/dbraw/zinc/14/07/48/286140748.db2.gz MBISMJDYIDTMCI-OKZBNKHCSA-N 2 1 324.509 2.501 20 0 DFADMP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000351539561 286147690 /nfs/dbraw/zinc/14/76/90/286147690.db2.gz UPZGAEJTPQOORO-OALUTQOASA-N 2 1 304.478 2.991 20 0 DFADMP CCc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000351539561 286147692 /nfs/dbraw/zinc/14/76/92/286147692.db2.gz UPZGAEJTPQOORO-OALUTQOASA-N 2 1 304.478 2.991 20 0 DFADMP OCCCC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370650318 149960930 /nfs/dbraw/zinc/96/09/30/149960930.db2.gz LBBRKPOJDRAGOX-UHFFFAOYSA-N 2 1 302.462 2.747 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000371204547 150002350 /nfs/dbraw/zinc/00/23/50/150002350.db2.gz IFSJFZKVKJONMK-IRXDYDNUSA-N 2 1 302.466 2.608 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000371204547 150002355 /nfs/dbraw/zinc/00/23/55/150002355.db2.gz IFSJFZKVKJONMK-IRXDYDNUSA-N 2 1 302.466 2.608 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000371204547 150002358 /nfs/dbraw/zinc/00/23/58/150002358.db2.gz IFSJFZKVKJONMK-IRXDYDNUSA-N 2 1 302.466 2.608 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000371205298 150002731 /nfs/dbraw/zinc/00/27/31/150002731.db2.gz QHXHPCFFQBORCS-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000371205298 150002736 /nfs/dbraw/zinc/00/27/36/150002736.db2.gz QHXHPCFFQBORCS-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000371205298 150002740 /nfs/dbraw/zinc/00/27/40/150002740.db2.gz QHXHPCFFQBORCS-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2noc(C(C)C)n2)CC1 ZINC000371251539 150010122 /nfs/dbraw/zinc/01/01/22/150010122.db2.gz MZMVBCZRWZCJGA-UHFFFAOYSA-N 2 1 317.437 2.968 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCc1ccc(F)c(F)c1 ZINC000371293259 150017586 /nfs/dbraw/zinc/01/75/86/150017586.db2.gz GCLIKKYRSYBYHN-OLMNPRSZSA-N 2 1 324.415 2.691 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCc1ccc(F)c(F)c1 ZINC000371293259 150017588 /nfs/dbraw/zinc/01/75/88/150017588.db2.gz GCLIKKYRSYBYHN-OLMNPRSZSA-N 2 1 324.415 2.691 20 0 DFADMP CC(C)c1nc(C2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)no1 ZINC000371330482 150025935 /nfs/dbraw/zinc/02/59/35/150025935.db2.gz VFADVGJRVULKFV-HNNXBMFYSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc(C2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)no1 ZINC000371330482 150025939 /nfs/dbraw/zinc/02/59/39/150025939.db2.gz VFADVGJRVULKFV-HNNXBMFYSA-N 2 1 306.454 2.857 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CCCN(c2cncc(F)c2)CC1 ZINC000371363458 150031659 /nfs/dbraw/zinc/03/16/59/150031659.db2.gz FDRRPLDZNVKHRK-KRWDZBQOSA-N 2 1 320.456 2.607 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363458 150031661 /nfs/dbraw/zinc/03/16/61/150031661.db2.gz FDRRPLDZNVKHRK-KRWDZBQOSA-N 2 1 320.456 2.607 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363458 150031663 /nfs/dbraw/zinc/03/16/63/150031663.db2.gz FDRRPLDZNVKHRK-KRWDZBQOSA-N 2 1 320.456 2.607 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363458 150031668 /nfs/dbraw/zinc/03/16/68/150031668.db2.gz FDRRPLDZNVKHRK-KRWDZBQOSA-N 2 1 320.456 2.607 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cc(-c2cccnc2)n[nH]1 ZINC000371402781 150040890 /nfs/dbraw/zinc/04/08/90/150040890.db2.gz BLICGANTRHENJE-KRWDZBQOSA-N 2 1 313.449 2.778 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000371429744 150045764 /nfs/dbraw/zinc/04/57/64/150045764.db2.gz GUVMATOHMMMWRI-ZRGWGRIASA-N 2 1 312.461 2.905 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000371586194 150068189 /nfs/dbraw/zinc/06/81/89/150068189.db2.gz WKBABYLBCDJXHH-OAHLLOKOSA-N 2 1 322.522 2.966 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000372018477 150126014 /nfs/dbraw/zinc/12/60/14/150126014.db2.gz WPCUUKOGBCAUBL-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2CCc2ccccc2)CC[N@H+]1C ZINC000372060088 150130350 /nfs/dbraw/zinc/13/03/50/150130350.db2.gz OUIVEBJLMIKVFL-YZGWKJHDSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2CCc2ccccc2)CC[NH+]1C ZINC000372060088 150130352 /nfs/dbraw/zinc/13/03/52/150130352.db2.gz OUIVEBJLMIKVFL-YZGWKJHDSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2CCc2ccccc2)CC[NH+]1C ZINC000372060088 150130355 /nfs/dbraw/zinc/13/03/55/150130355.db2.gz OUIVEBJLMIKVFL-YZGWKJHDSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCn1ccnc1 ZINC000372316982 150162715 /nfs/dbraw/zinc/16/27/15/150162715.db2.gz TUVWHJIKLJSNQX-IEBWSBKVSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCn1ccnc1 ZINC000372316982 150162718 /nfs/dbraw/zinc/16/27/18/150162718.db2.gz TUVWHJIKLJSNQX-IEBWSBKVSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCn1ccnc1 ZINC000372316982 150162722 /nfs/dbraw/zinc/16/27/22/150162722.db2.gz TUVWHJIKLJSNQX-IEBWSBKVSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCn1ccnc1 ZINC000372316982 150162723 /nfs/dbraw/zinc/16/27/23/150162723.db2.gz TUVWHJIKLJSNQX-IEBWSBKVSA-N 2 1 312.461 2.726 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000372313392 150163365 /nfs/dbraw/zinc/16/33/65/150163365.db2.gz LXUKESQBYUTCTE-RHSMWYFYSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000372313392 150163366 /nfs/dbraw/zinc/16/33/66/150163366.db2.gz LXUKESQBYUTCTE-RHSMWYFYSA-N 2 1 321.371 2.668 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCO[C@H](C)C3)sc2C1 ZINC000372352071 150165698 /nfs/dbraw/zinc/16/56/98/150165698.db2.gz WYIJMKUEFMYCSV-KGLIPLIRSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCO[C@H](C)C3)sc2C1 ZINC000372352071 150165702 /nfs/dbraw/zinc/16/57/02/150165702.db2.gz WYIJMKUEFMYCSV-KGLIPLIRSA-N 2 1 323.506 2.814 20 0 DFADMP C[N@@H+](CCN1CCC[C@H]1[C@@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000372357555 150166394 /nfs/dbraw/zinc/16/63/94/150166394.db2.gz PTJHYSLTDGBHSL-OALUTQOASA-N 2 1 319.468 2.816 20 0 DFADMP C[NH+](CCN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000372357555 150166395 /nfs/dbraw/zinc/16/63/95/150166395.db2.gz PTJHYSLTDGBHSL-OALUTQOASA-N 2 1 319.468 2.816 20 0 DFADMP C[NH+](CCN1CCC[C@H]1[C@@H]1CCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000372357555 150166397 /nfs/dbraw/zinc/16/63/97/150166397.db2.gz PTJHYSLTDGBHSL-OALUTQOASA-N 2 1 319.468 2.816 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000372423542 150170452 /nfs/dbraw/zinc/17/04/52/150170452.db2.gz YMPCDFVDBAFYEV-MRXNPFEDSA-N 2 1 309.498 2.537 20 0 DFADMP CC[C@@H](C)CC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000372776856 150182971 /nfs/dbraw/zinc/18/29/71/150182971.db2.gz QCKOPSHDLHAOBB-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC000351610520 286168722 /nfs/dbraw/zinc/16/87/22/286168722.db2.gz WKJCJVBOZCMKPH-UHFFFAOYSA-N 2 1 322.449 2.592 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(=O)c(OC)co2)CC1 ZINC000351610520 286168724 /nfs/dbraw/zinc/16/87/24/286168724.db2.gz WKJCJVBOZCMKPH-UHFFFAOYSA-N 2 1 322.449 2.592 20 0 DFADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)C1(C)C ZINC000368563502 286172284 /nfs/dbraw/zinc/17/22/84/286172284.db2.gz LXNBCZPOSPLDOJ-ZQOJQMTGSA-N 2 1 324.509 2.669 20 0 DFADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)C1(C)C ZINC000368563502 286172286 /nfs/dbraw/zinc/17/22/86/286172286.db2.gz LXNBCZPOSPLDOJ-ZQOJQMTGSA-N 2 1 324.509 2.669 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373165577 150240552 /nfs/dbraw/zinc/24/05/52/150240552.db2.gz JFEJMYWEFUZBRI-WBVHZDCISA-N 2 1 319.468 2.987 20 0 DFADMP C[C@H](c1ccccc1F)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373165577 150240554 /nfs/dbraw/zinc/24/05/54/150240554.db2.gz JFEJMYWEFUZBRI-WBVHZDCISA-N 2 1 319.468 2.987 20 0 DFADMP Cc1nc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)oc1C ZINC000374295846 150339442 /nfs/dbraw/zinc/33/94/42/150339442.db2.gz NLBRVORTKORAIR-HNNXBMFYSA-N 2 1 303.450 2.988 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374428845 150366769 /nfs/dbraw/zinc/36/67/69/150366769.db2.gz NHOSWESXIZROEN-BHIYHBOVSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374428845 150366772 /nfs/dbraw/zinc/36/67/72/150366772.db2.gz NHOSWESXIZROEN-BHIYHBOVSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526372 150373407 /nfs/dbraw/zinc/37/34/07/150373407.db2.gz HLYQEZASWQDCAL-HNBVOPMISA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000374526372 150373414 /nfs/dbraw/zinc/37/34/14/150373414.db2.gz HLYQEZASWQDCAL-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526372 150373417 /nfs/dbraw/zinc/37/34/17/150373417.db2.gz HLYQEZASWQDCAL-HNBVOPMISA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526372 150373418 /nfs/dbraw/zinc/37/34/18/150373418.db2.gz HLYQEZASWQDCAL-HNBVOPMISA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000374526372 150373421 /nfs/dbraw/zinc/37/34/21/150373421.db2.gz HLYQEZASWQDCAL-HNBVOPMISA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000374526372 150373424 /nfs/dbraw/zinc/37/34/24/150373424.db2.gz HLYQEZASWQDCAL-HNBVOPMISA-N 3 1 315.505 2.969 20 0 DFADMP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000375039779 150390153 /nfs/dbraw/zinc/39/01/53/150390153.db2.gz NNAKJNGJFCRENK-QZTJIDSGSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1cccc(C2([NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CCCC2)c1 ZINC000351714385 286200743 /nfs/dbraw/zinc/20/07/43/286200743.db2.gz CYUORCBIWZBXIZ-GOSISDBHSA-N 2 1 302.462 2.809 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000351857242 286233184 /nfs/dbraw/zinc/23/31/84/286233184.db2.gz XBKBZIKDTOHWOH-WCQYABFASA-N 2 1 302.340 2.797 20 0 DFADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000496375129 300054081 /nfs/dbraw/zinc/05/40/81/300054081.db2.gz NGACPQVGXWHXND-CABCVRRESA-N 2 1 311.470 2.508 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352090469 286289646 /nfs/dbraw/zinc/28/96/46/286289646.db2.gz ALLROHVZVVDULJ-UHFFFAOYSA-N 2 1 300.450 2.907 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352488450 286386237 /nfs/dbraw/zinc/38/62/37/286386237.db2.gz QJOUKXWKXLUCKA-AWEZNQCLSA-N 2 1 321.490 2.940 20 0 DFADMP C[C@H](C1CC1)N(C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)C1CC1 ZINC000352525432 286398103 /nfs/dbraw/zinc/39/81/03/286398103.db2.gz GMQMFRQMCUALEG-OAHLLOKOSA-N 2 1 321.509 2.617 20 0 DFADMP CCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000352758163 286459464 /nfs/dbraw/zinc/45/94/64/286459464.db2.gz GRTAPSJFCXWBIH-MOPGFXCFSA-N 2 1 317.477 2.502 20 0 DFADMP COc1cccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352777746 286464946 /nfs/dbraw/zinc/46/49/46/286464946.db2.gz CSILHUSLVNEFKE-UHFFFAOYSA-N 2 1 305.447 2.546 20 0 DFADMP C[C@@H]1CC(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H](C)O1 ZINC000352868530 286489113 /nfs/dbraw/zinc/48/91/13/286489113.db2.gz MOHHAIDUTQZILX-CHWSQXEVSA-N 2 1 311.495 2.888 20 0 DFADMP COC1(C[C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCC1 ZINC000429527256 296747851 /nfs/dbraw/zinc/74/78/51/296747851.db2.gz LIVJPOVJWUSGKB-INIZCTEOSA-N 2 1 310.482 2.569 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000440255202 297148842 /nfs/dbraw/zinc/14/88/42/297148842.db2.gz MVLWNKCSHKPPLH-TWMKSMIVSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440255202 297148843 /nfs/dbraw/zinc/14/88/43/297148843.db2.gz MVLWNKCSHKPPLH-TWMKSMIVSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440255202 297148844 /nfs/dbraw/zinc/14/88/44/297148844.db2.gz MVLWNKCSHKPPLH-TWMKSMIVSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000182562645 158004256 /nfs/dbraw/zinc/00/42/56/158004256.db2.gz PDNWQVLDBHFSPA-DAABDDCCSA-N 2 1 313.489 2.990 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H](C)C1 ZINC000246989621 158111639 /nfs/dbraw/zinc/11/16/39/158111639.db2.gz KELYJCMRHCTKGU-LPHOPBHVSA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccccc2OC)[C@@H](C)C1 ZINC000247037531 158114658 /nfs/dbraw/zinc/11/46/58/158114658.db2.gz LPHKUJVRBUQDGI-JYJNAYRXSA-N 2 1 306.450 2.782 20 0 DFADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)cn2)CC1 ZINC000247073951 158118249 /nfs/dbraw/zinc/11/82/49/158118249.db2.gz OKWFORDJPVGFRN-WMZOPIPTSA-N 2 1 316.493 2.890 20 0 DFADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)cn2)CC1 ZINC000247073951 158118251 /nfs/dbraw/zinc/11/82/51/158118251.db2.gz OKWFORDJPVGFRN-WMZOPIPTSA-N 2 1 316.493 2.890 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000247180268 158122088 /nfs/dbraw/zinc/12/20/88/158122088.db2.gz RWXLGCJWELRVOJ-YJBOKZPZSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000247180243 158122116 /nfs/dbraw/zinc/12/21/16/158122116.db2.gz VCEKSQYOAKTGFP-FCEWJHQRSA-N 2 1 319.468 2.972 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000247180251 158122294 /nfs/dbraw/zinc/12/22/94/158122294.db2.gz VCEKSQYOAKTGFP-MDZRGWNJSA-N 2 1 319.468 2.972 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000247227187 158123489 /nfs/dbraw/zinc/12/34/89/158123489.db2.gz WPJMMBJIZJLZQT-GOEBONIOSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000247227187 158123490 /nfs/dbraw/zinc/12/34/90/158123490.db2.gz WPJMMBJIZJLZQT-GOEBONIOSA-N 2 1 306.450 2.914 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)Cc2[nH+]cc(C)c(OC)c2C)[C@@H](C)C1 ZINC000247243719 158124666 /nfs/dbraw/zinc/12/46/66/158124666.db2.gz TYUASYRGYBBOPV-YOEHRIQHSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2[nH+]cc(C)c(OC)c2C)[C@@H](C)C1 ZINC000247243719 158124668 /nfs/dbraw/zinc/12/46/68/158124668.db2.gz TYUASYRGYBBOPV-YOEHRIQHSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)[NH+](C)C)[C@@H](C)C1 ZINC000247890476 158151647 /nfs/dbraw/zinc/15/16/47/158151647.db2.gz FBOUMTGUAIKONO-ZYSHUDEJSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247890476 158151648 /nfs/dbraw/zinc/15/16/48/158151648.db2.gz FBOUMTGUAIKONO-ZYSHUDEJSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247890476 158151651 /nfs/dbraw/zinc/15/16/51/158151651.db2.gz FBOUMTGUAIKONO-ZYSHUDEJSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000247987764 158155250 /nfs/dbraw/zinc/15/52/50/158155250.db2.gz IZTBVOJDZCALAA-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000247987764 158155252 /nfs/dbraw/zinc/15/52/52/158155252.db2.gz IZTBVOJDZCALAA-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@@H](C)C1 ZINC000247987764 158155253 /nfs/dbraw/zinc/15/52/53/158155253.db2.gz IZTBVOJDZCALAA-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000247987764 158155255 /nfs/dbraw/zinc/15/52/55/158155255.db2.gz IZTBVOJDZCALAA-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@@H](C)C1 ZINC000247987764 158155256 /nfs/dbraw/zinc/15/52/56/158155256.db2.gz IZTBVOJDZCALAA-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)CC[C@H]21 ZINC000247974844 158155497 /nfs/dbraw/zinc/15/54/97/158155497.db2.gz KLTNDJSITCTUPZ-RHSMWYFYSA-N 2 1 319.424 2.570 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(CC)c2)[C@H](C)C1 ZINC000247987045 158155574 /nfs/dbraw/zinc/15/55/74/158155574.db2.gz IXTJNEKMXFEUPL-RYRKJORJSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(CC)c2)[C@H](C)C1 ZINC000247987045 158155576 /nfs/dbraw/zinc/15/55/76/158155576.db2.gz IXTJNEKMXFEUPL-RYRKJORJSA-N 2 1 322.497 2.691 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247970513 158155605 /nfs/dbraw/zinc/15/56/05/158155605.db2.gz HGZYOWSKSBUTLL-ILOCAZANSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247970513 158155607 /nfs/dbraw/zinc/15/56/07/158155607.db2.gz HGZYOWSKSBUTLL-ILOCAZANSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247970513 158155610 /nfs/dbraw/zinc/15/56/10/158155610.db2.gz HGZYOWSKSBUTLL-ILOCAZANSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247970513 158155611 /nfs/dbraw/zinc/15/56/11/158155611.db2.gz HGZYOWSKSBUTLL-ILOCAZANSA-N 2 1 321.509 2.581 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3cccc(Cl)c3)CC[C@H]21 ZINC000248186259 158164130 /nfs/dbraw/zinc/16/41/30/158164130.db2.gz XKWQMVVQWFCXOV-XJKSGUPXSA-N 2 1 321.852 2.695 20 0 DFADMP CC(C)[C@@](C)(O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248541639 158181964 /nfs/dbraw/zinc/18/19/64/158181964.db2.gz CAIVFCAZFYCOHN-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000248563547 158184903 /nfs/dbraw/zinc/18/49/03/158184903.db2.gz KCCTUPRFUQGIKI-OALUTQOASA-N 2 1 313.445 2.650 20 0 DFADMP CN1CC[C@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666419 158195863 /nfs/dbraw/zinc/19/58/63/158195863.db2.gz NQGCXDINDADFAD-WMZOPIPTSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CC[C@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666419 158195866 /nfs/dbraw/zinc/19/58/66/158195866.db2.gz NQGCXDINDADFAD-WMZOPIPTSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666419 158195867 /nfs/dbraw/zinc/19/58/67/158195867.db2.gz NQGCXDINDADFAD-WMZOPIPTSA-N 2 1 300.446 2.580 20 0 DFADMP OCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248819667 158202879 /nfs/dbraw/zinc/20/28/79/158202879.db2.gz WIJMHSOQMFLVGN-GUDVDZBRSA-N 2 1 302.462 2.649 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248829429 158203060 /nfs/dbraw/zinc/20/30/60/158203060.db2.gz KYBJVUJHGOXVDX-CSQLCUNESA-N 2 1 302.462 2.910 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000355061710 158264364 /nfs/dbraw/zinc/26/43/64/158264364.db2.gz GOCKKVZUYVTKBY-GOSISDBHSA-N 2 1 315.505 2.904 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355209741 158298915 /nfs/dbraw/zinc/29/89/15/158298915.db2.gz KBASVWWREBKZFR-YQVWRLOYSA-N 2 1 318.461 2.687 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000355209741 158298918 /nfs/dbraw/zinc/29/89/18/158298918.db2.gz KBASVWWREBKZFR-YQVWRLOYSA-N 2 1 318.461 2.687 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355208328 158299021 /nfs/dbraw/zinc/29/90/21/158299021.db2.gz HEXIHYZZYXZQDM-BPQIPLTHSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355208328 158299024 /nfs/dbraw/zinc/29/90/24/158299024.db2.gz HEXIHYZZYXZQDM-BPQIPLTHSA-N 2 1 306.425 2.818 20 0 DFADMP [NH3+]CCOCC[N@@H+](Cc1ccc(C(F)(F)F)cc1)C1CC1 ZINC000357029555 158351273 /nfs/dbraw/zinc/35/12/73/158351273.db2.gz NPYAQLZHSRHZSN-UHFFFAOYSA-N 2 1 302.340 2.645 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)n1 ZINC000357086990 158363342 /nfs/dbraw/zinc/36/33/42/158363342.db2.gz RZZTZEJVWSFJCG-QZTJIDSGSA-N 2 1 310.445 2.530 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358343434 158371349 /nfs/dbraw/zinc/37/13/49/158371349.db2.gz HVPFQBWEKOSUAF-MAUKXSAKSA-N 2 1 306.450 2.532 20 0 DFADMP C[C@H]1C[C@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[N@H+]1C ZINC000362310425 158517337 /nfs/dbraw/zinc/51/73/37/158517337.db2.gz YTSLBONEVKZABJ-XJKSGUPXSA-N 2 1 314.433 2.996 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c(F)c1 ZINC000430919119 296812042 /nfs/dbraw/zinc/81/20/42/296812042.db2.gz JTWLMHNNHLAYTE-QWHCGFSZSA-N 2 1 307.413 2.520 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000430966066 296816037 /nfs/dbraw/zinc/81/60/37/296816037.db2.gz MDZRVBREYSWHPX-VXGBXAGGSA-N 2 1 309.841 2.726 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000113198130 287013221 /nfs/dbraw/zinc/01/32/21/287013221.db2.gz LZBAIBSYKBZRDA-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000113198130 287013224 /nfs/dbraw/zinc/01/32/24/287013224.db2.gz LZBAIBSYKBZRDA-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H](NCC(C)(C)C[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000132124905 196228542 /nfs/dbraw/zinc/22/85/42/196228542.db2.gz NRKQKWISCYFVPY-MRXNPFEDSA-N 2 1 321.509 2.865 20 0 DFADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000132618306 196270490 /nfs/dbraw/zinc/27/04/90/196270490.db2.gz VFBKRZQERDOOLA-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CCc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000133806780 196337688 /nfs/dbraw/zinc/33/76/88/196337688.db2.gz JJVUHZVLMHHSTC-ATZDWAIDSA-N 2 1 303.494 2.924 20 0 DFADMP Fc1cccc(F)c1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000134132998 196364353 /nfs/dbraw/zinc/36/43/53/196364353.db2.gz PXOHFRCYKGBJJG-UHFFFAOYSA-N 2 1 310.388 2.509 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000134170837 196367703 /nfs/dbraw/zinc/36/77/03/196367703.db2.gz PGVOXXIBOKYGJI-JYJNAYRXSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000134412742 196387974 /nfs/dbraw/zinc/38/79/74/196387974.db2.gz RVHDBGANZOSGMV-FZMZJTMJSA-N 2 1 310.825 2.541 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000134412742 196387975 /nfs/dbraw/zinc/38/79/75/196387975.db2.gz RVHDBGANZOSGMV-FZMZJTMJSA-N 2 1 310.825 2.541 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H](CO)CC(F)(F)F)CC1 ZINC000358361345 287288853 /nfs/dbraw/zinc/28/88/53/287288853.db2.gz BNBSFYICXSHDNX-YUELXQCFSA-N 2 1 322.415 2.932 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1C ZINC000667561031 543631053 /nfs/dbraw/zinc/63/10/53/543631053.db2.gz JEZNBKMOVYBZTC-KRWDZBQOSA-N 2 1 304.482 2.672 20 0 DFADMP CC(C)(C)[N@H+]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667563633 543631474 /nfs/dbraw/zinc/63/14/74/543631474.db2.gz KBHNGSFHEKUVNO-UHFFFAOYSA-N 2 1 313.449 2.574 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000667597147 543638689 /nfs/dbraw/zinc/63/86/89/543638689.db2.gz CLHCPKJYIOFRDX-INIZCTEOSA-N 2 1 320.477 2.874 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667666829 543656343 /nfs/dbraw/zinc/65/63/43/543656343.db2.gz YZIBUSMMOHQWJP-SFHVURJKSA-N 2 1 312.417 2.660 20 0 DFADMP c1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667666829 543656346 /nfs/dbraw/zinc/65/63/46/543656346.db2.gz YZIBUSMMOHQWJP-SFHVURJKSA-N 2 1 312.417 2.660 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667728186 543667694 /nfs/dbraw/zinc/66/76/94/543667694.db2.gz PGVOPRZGSLCWGF-QGZVFWFLSA-N 2 1 318.465 2.921 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667728185 543667837 /nfs/dbraw/zinc/66/78/37/543667837.db2.gz PGVOPRZGSLCWGF-KRWDZBQOSA-N 2 1 318.465 2.921 20 0 DFADMP C[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCCC[C@H]1C ZINC000667730834 543668733 /nfs/dbraw/zinc/66/87/33/543668733.db2.gz BVLSDZHXTAFDII-ZIAGYGMSSA-N 2 1 304.438 2.530 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667768436 543675318 /nfs/dbraw/zinc/67/53/18/543675318.db2.gz OWOJJIYDBPXXJK-MNEFBYGVSA-N 2 1 300.446 2.797 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CC(Oc3ccccc3)C2)CCCO1 ZINC000668064878 543731880 /nfs/dbraw/zinc/73/18/80/543731880.db2.gz YTGUMCZBHRIJKI-LRYGQEGESA-N 2 1 318.461 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CC(Oc3ccccc3)C2)CCCO1 ZINC000668064878 543731883 /nfs/dbraw/zinc/73/18/83/543731883.db2.gz YTGUMCZBHRIJKI-LRYGQEGESA-N 2 1 318.461 2.687 20 0 DFADMP C[C@@H](C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)c1nccs1 ZINC000667975200 543716170 /nfs/dbraw/zinc/71/61/70/543716170.db2.gz PRCYJVRBRATZJE-ZDUSSCGKSA-N 2 1 313.430 2.959 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H]2[C@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000668270841 543780895 /nfs/dbraw/zinc/78/08/95/543780895.db2.gz PSJKDSRLFFEYSN-YJBOKZPZSA-N 2 1 312.417 2.658 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000668270841 543780897 /nfs/dbraw/zinc/78/08/97/543780897.db2.gz PSJKDSRLFFEYSN-YJBOKZPZSA-N 2 1 312.417 2.658 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188416 543763314 /nfs/dbraw/zinc/76/33/14/543763314.db2.gz HQDOUXKRGYYVOP-QFBILLFUSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188416 543763317 /nfs/dbraw/zinc/76/33/17/543763317.db2.gz HQDOUXKRGYYVOP-QFBILLFUSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000668188416 543763319 /nfs/dbraw/zinc/76/33/19/543763319.db2.gz HQDOUXKRGYYVOP-QFBILLFUSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000668188416 543763322 /nfs/dbraw/zinc/76/33/22/543763322.db2.gz HQDOUXKRGYYVOP-QFBILLFUSA-N 2 1 318.461 2.628 20 0 DFADMP CC[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738772 543857548 /nfs/dbraw/zinc/85/75/48/543857548.db2.gz GCCLBOSMFROFQW-APWZRJJASA-N 2 1 302.462 2.711 20 0 DFADMP C[C@@H](CCc1ccccc1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668739175 543857916 /nfs/dbraw/zinc/85/79/16/543857916.db2.gz KAGBDOGDMKPFCP-FXAWDEMLSA-N 2 1 316.489 2.786 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000669622378 543976737 /nfs/dbraw/zinc/97/67/37/543976737.db2.gz XGBDMNKYSKVWHR-KRWDZBQOSA-N 2 1 321.509 2.633 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCc3sccc3C2)CC1 ZINC000669689860 543984228 /nfs/dbraw/zinc/98/42/28/543984228.db2.gz LSXJXAFITPDVIA-UHFFFAOYSA-N 2 1 321.534 2.912 20 0 DFADMP c1ccc2c(c1)CC[C@H]2[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000669699737 543985567 /nfs/dbraw/zinc/98/55/67/543985567.db2.gz YMHIICAQEHIKLU-QFBILLFUSA-N 2 1 300.446 2.718 20 0 DFADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670267623 544031355 /nfs/dbraw/zinc/03/13/55/544031355.db2.gz MOOYRKULTGEHMZ-APWZRJJASA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670267623 544031358 /nfs/dbraw/zinc/03/13/58/544031358.db2.gz MOOYRKULTGEHMZ-APWZRJJASA-N 2 1 304.478 2.895 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC([NH+](C)C)C2)cc1)C(C)C ZINC000670401991 544037582 /nfs/dbraw/zinc/03/75/82/544037582.db2.gz GSHVOXQUMUMNAC-UHFFFAOYSA-N 2 1 317.477 2.739 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(C)c1OC ZINC000671756252 544107440 /nfs/dbraw/zinc/10/74/40/544107440.db2.gz FTAPLUDWRWEZCA-UONOGXRCSA-N 2 1 315.417 2.874 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672619131 544143739 /nfs/dbraw/zinc/14/37/39/544143739.db2.gz JEJNDFSKGJAWDO-QRTARXTBSA-N 2 1 310.869 2.736 20 0 DFADMP Fc1ccccc1N1CC[C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000297332995 227022951 /nfs/dbraw/zinc/02/29/51/227022951.db2.gz DOVMSRYLVIPRMP-HNNXBMFYSA-N 2 1 317.452 2.868 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291288927 222287225 /nfs/dbraw/zinc/28/72/25/222287225.db2.gz ZLKLPDVBRPPRNU-VQIMIIECSA-N 2 1 302.462 2.851 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000674049780 544216150 /nfs/dbraw/zinc/21/61/50/544216150.db2.gz ZKGIJSZORMWVCG-BEFAXECRSA-N 2 1 318.461 2.989 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn2cccc(C)c2n1 ZINC000674231648 544224947 /nfs/dbraw/zinc/22/49/47/544224947.db2.gz JHVDGJKQSZIUDS-KRWDZBQOSA-N 2 1 309.417 2.812 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn2cccc(C)c2n1 ZINC000674231648 544224950 /nfs/dbraw/zinc/22/49/50/544224950.db2.gz JHVDGJKQSZIUDS-KRWDZBQOSA-N 2 1 309.417 2.812 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000674351995 544234612 /nfs/dbraw/zinc/23/46/12/544234612.db2.gz GDDVCWWTNQCAME-KZNAEPCWSA-N 2 1 321.509 2.726 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc(-c3ccccn3)s1)C2 ZINC000674676139 544250883 /nfs/dbraw/zinc/25/08/83/544250883.db2.gz MCDGKMASEMJENC-GFCCVEGCSA-N 2 1 311.414 2.506 20 0 DFADMP c1n[nH]cc1CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566252 227309954 /nfs/dbraw/zinc/30/99/54/227309954.db2.gz CMYSXGOYHFODBJ-WOJBJXKFSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566252 227309960 /nfs/dbraw/zinc/30/99/60/227309960.db2.gz CMYSXGOYHFODBJ-WOJBJXKFSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000297566252 227309965 /nfs/dbraw/zinc/30/99/65/227309965.db2.gz CMYSXGOYHFODBJ-WOJBJXKFSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000297566252 227309968 /nfs/dbraw/zinc/30/99/68/227309968.db2.gz CMYSXGOYHFODBJ-WOJBJXKFSA-N 2 1 324.472 2.939 20 0 DFADMP COc1ccc([C@H](OC)[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297574858 227321124 /nfs/dbraw/zinc/32/11/24/227321124.db2.gz HZWUXTQOZRJITK-AUUYWEPGSA-N 2 1 318.461 2.988 20 0 DFADMP Cc1nccc([C@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000675492836 544315692 /nfs/dbraw/zinc/31/56/92/544315692.db2.gz GNNORRIFVHCRSM-DLBZAZTESA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000675492836 544315694 /nfs/dbraw/zinc/31/56/94/544315694.db2.gz GNNORRIFVHCRSM-DLBZAZTESA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000675492836 544315696 /nfs/dbraw/zinc/31/56/96/544315696.db2.gz GNNORRIFVHCRSM-DLBZAZTESA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000675492836 544315699 /nfs/dbraw/zinc/31/56/99/544315699.db2.gz GNNORRIFVHCRSM-DLBZAZTESA-N 2 1 302.466 2.839 20 0 DFADMP O[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000675766632 544334575 /nfs/dbraw/zinc/33/45/75/544334575.db2.gz LKUZKCKOWYWEQJ-MOPGFXCFSA-N 2 1 320.452 2.726 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000675889337 544341873 /nfs/dbraw/zinc/34/18/73/544341873.db2.gz BPSNQLIJIBHDDS-SFHVURJKSA-N 2 1 313.445 2.592 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H](Cn1cccn1)c1ccccc1 ZINC000675899409 544342767 /nfs/dbraw/zinc/34/27/67/544342767.db2.gz GPEUPAWBRAYGQO-ATZDWAIDSA-N 2 1 310.445 2.697 20 0 DFADMP Cc1nc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)s1 ZINC000676490271 544379340 /nfs/dbraw/zinc/37/93/40/544379340.db2.gz PJYJZEFYYDQXDX-CYBMUJFWSA-N 2 1 324.538 2.684 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677236530 544457042 /nfs/dbraw/zinc/45/70/42/544457042.db2.gz DWHICMIZFNPSQT-WBVHZDCISA-N 2 1 301.434 2.752 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677236530 544457046 /nfs/dbraw/zinc/45/70/46/544457046.db2.gz DWHICMIZFNPSQT-WBVHZDCISA-N 2 1 301.434 2.752 20 0 DFADMP Cn1ccnc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677242026 544458089 /nfs/dbraw/zinc/45/80/89/544458089.db2.gz WGJLENHPYLXBTL-QYZOEREBSA-N 2 1 324.472 2.920 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000677749856 544535965 /nfs/dbraw/zinc/53/59/65/544535965.db2.gz VFUPTBKIHMGZEF-SFHVURJKSA-N 2 1 312.461 2.834 20 0 DFADMP C[C@@H]1CC[N@H+](CCN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749511 544536236 /nfs/dbraw/zinc/53/62/36/544536236.db2.gz KFBXRZGFQMLKNA-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749511 544536241 /nfs/dbraw/zinc/53/62/41/544536241.db2.gz KFBXRZGFQMLKNA-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749511 544536247 /nfs/dbraw/zinc/53/62/47/544536247.db2.gz KFBXRZGFQMLKNA-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749511 544536251 /nfs/dbraw/zinc/53/62/51/544536251.db2.gz KFBXRZGFQMLKNA-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000681411336 545639080 /nfs/dbraw/zinc/63/90/80/545639080.db2.gz VXQGUJYEIXJDNN-JFRXWTBNSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000681411336 545639082 /nfs/dbraw/zinc/63/90/82/545639082.db2.gz VXQGUJYEIXJDNN-JFRXWTBNSA-N 2 1 304.478 2.894 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000678076554 544595875 /nfs/dbraw/zinc/59/58/75/544595875.db2.gz QFOMECMZTHINIQ-KRWDZBQOSA-N 2 1 301.438 2.814 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000678076554 544595878 /nfs/dbraw/zinc/59/58/78/544595878.db2.gz QFOMECMZTHINIQ-KRWDZBQOSA-N 2 1 301.438 2.814 20 0 DFADMP COCCC[NH+](C)Cc1ccc(C[N@H+](C)CCCOC)cc1 ZINC000299285576 229028985 /nfs/dbraw/zinc/02/89/85/229028985.db2.gz XYAOWEALQWZKGA-UHFFFAOYSA-N 2 1 308.466 2.623 20 0 DFADMP Brc1ccc2c(c1)[C@H]([N@@H+]1C[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000678312458 544650432 /nfs/dbraw/zinc/65/04/32/544650432.db2.gz JSGUCNBQUYQQGD-DVOMOZLQSA-N 2 1 321.262 2.978 20 0 DFADMP Fc1cccc(F)c1-c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678343399 544655913 /nfs/dbraw/zinc/65/59/13/544655913.db2.gz SXHDMDQEHFIIMS-TXEJJXNPSA-N 2 1 304.340 2.876 20 0 DFADMP Fc1cccc(F)c1-c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678343399 544655915 /nfs/dbraw/zinc/65/59/15/544655915.db2.gz SXHDMDQEHFIIMS-TXEJJXNPSA-N 2 1 304.340 2.876 20 0 DFADMP C[C@H]1COCCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678275330 544641064 /nfs/dbraw/zinc/64/10/64/544641064.db2.gz VUJMHGYHDZZDFA-KRWDZBQOSA-N 2 1 318.461 2.772 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000678827601 544731265 /nfs/dbraw/zinc/73/12/65/544731265.db2.gz AVGQNJNFVNLFNM-INIZCTEOSA-N 2 1 304.478 2.741 20 0 DFADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678544740 544689683 /nfs/dbraw/zinc/68/96/83/544689683.db2.gz FDNPITZCUNBJPK-WBVHZDCISA-N 2 1 303.450 2.684 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000678774456 544719188 /nfs/dbraw/zinc/71/91/88/544719188.db2.gz ISAGGPFBKBYWQF-SFHVURJKSA-N 2 1 315.461 2.948 20 0 DFADMP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000678999381 544766138 /nfs/dbraw/zinc/76/61/38/544766138.db2.gz AONBIORCUATUGP-IRXDYDNUSA-N 2 1 316.493 2.641 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)O ZINC000679016809 544768092 /nfs/dbraw/zinc/76/80/92/544768092.db2.gz RDGJUUIJOMNOTN-CQSZACIVSA-N 2 1 308.441 2.582 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000679023830 544770017 /nfs/dbraw/zinc/77/00/17/544770017.db2.gz HRXACLBNSHVXHJ-RYUDHWBXSA-N 2 1 319.380 2.705 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000679039066 544773319 /nfs/dbraw/zinc/77/33/19/544773319.db2.gz XFYYWZUFTCZUBU-ZWKOTPCHSA-N 2 1 306.425 2.508 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000299699446 229342390 /nfs/dbraw/zinc/34/23/90/229342390.db2.gz OTOISLGWFLVEQG-UHFFFAOYSA-N 2 1 314.433 2.567 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)N(C)c1ccccc1 ZINC000299699446 229342392 /nfs/dbraw/zinc/34/23/92/229342392.db2.gz OTOISLGWFLVEQG-UHFFFAOYSA-N 2 1 314.433 2.567 20 0 DFADMP CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679721598 544905877 /nfs/dbraw/zinc/90/58/77/544905877.db2.gz PFUUYVPDIUGFAX-KZNAEPCWSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679624998 544884477 /nfs/dbraw/zinc/88/44/77/544884477.db2.gz NYKGMYNQNRDXGD-AITUJVMLSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC000679834200 544914897 /nfs/dbraw/zinc/91/48/97/544914897.db2.gz WGAJMXMRIRMSPH-MISYRCLQSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC000679834200 544914899 /nfs/dbraw/zinc/91/48/99/544914899.db2.gz WGAJMXMRIRMSPH-MISYRCLQSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@@]2(CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC000679834200 544914903 /nfs/dbraw/zinc/91/49/03/544914903.db2.gz WGAJMXMRIRMSPH-MISYRCLQSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@@]2(CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC000679834200 544914907 /nfs/dbraw/zinc/91/49/07/544914907.db2.gz WGAJMXMRIRMSPH-MISYRCLQSA-N 2 1 316.489 2.991 20 0 DFADMP CO[C@@H]1CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953866 544932843 /nfs/dbraw/zinc/93/28/43/544932843.db2.gz XOIAXMAUOABMJR-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CO[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000679953866 544932847 /nfs/dbraw/zinc/93/28/47/544932847.db2.gz XOIAXMAUOABMJR-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CO[C@@H]1CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000679953866 544932850 /nfs/dbraw/zinc/93/28/50/544932850.db2.gz XOIAXMAUOABMJR-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401421 545004638 /nfs/dbraw/zinc/00/46/38/545004638.db2.gz ZCVLUJUAJVNOTC-DOTOQJQBSA-N 2 1 304.482 2.595 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)CCCn2ccnc2)cc1F ZINC000124462157 425921065 /nfs/dbraw/zinc/92/10/65/425921065.db2.gz UVWWTEBQKZINBF-CQSZACIVSA-N 2 1 318.396 2.680 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC000124505592 425923060 /nfs/dbraw/zinc/92/30/60/425923060.db2.gz SQBFDOKYDMRMEM-OAHLLOKOSA-N 2 1 307.457 2.750 20 0 DFADMP COC(=O)C1CCC([NH2+]CCC[N@@H+](C)C2CCCCC2)CC1 ZINC000192438401 268037248 /nfs/dbraw/zinc/03/72/48/268037248.db2.gz SXMFPZYUVCQYEV-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccc(O)c1 ZINC000194932152 268120829 /nfs/dbraw/zinc/12/08/29/268120829.db2.gz GMAPOJKXGTYANO-JVPBZIDWSA-N 2 1 318.461 2.811 20 0 DFADMP CCCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000222408679 268141301 /nfs/dbraw/zinc/14/13/01/268141301.db2.gz JCVVCPPRYMBUSH-LSDHHAIUSA-N 2 1 313.486 2.706 20 0 DFADMP C[NH+]1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)(C)C)CC1 ZINC000230969976 268146480 /nfs/dbraw/zinc/14/64/80/268146480.db2.gz UAKRZLKQZUYFOK-UHFFFAOYSA-N 2 1 313.486 2.706 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N(CC)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000236793631 268150518 /nfs/dbraw/zinc/15/05/18/268150518.db2.gz PGJYWKZIXBKHMJ-SZMVWBNQSA-N 2 1 317.477 2.798 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(CC)(CC)C[NH3+])C1 ZINC000236917056 268153141 /nfs/dbraw/zinc/15/31/41/268153141.db2.gz HZZKPVQLCDOFSX-OAHLLOKOSA-N 2 1 311.514 2.768 20 0 DFADMP C[NH+]1CCC([NH2+]C[C@@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000267257660 268180292 /nfs/dbraw/zinc/18/02/92/268180292.db2.gz PPJZYNISZIVQBC-CYBMUJFWSA-N 2 1 303.233 2.711 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cn2c(n1)CCCC2 ZINC000268113707 268183299 /nfs/dbraw/zinc/18/32/99/268183299.db2.gz MQHNWUQYIFKUKR-VQIMIIECSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cn2c(n1)CCCC2 ZINC000268113707 268183302 /nfs/dbraw/zinc/18/33/02/268183302.db2.gz MQHNWUQYIFKUKR-VQIMIIECSA-N 2 1 324.472 2.830 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000268823655 268185607 /nfs/dbraw/zinc/18/56/07/268185607.db2.gz OSEJWTZHFRQRMO-JKSUJKDBSA-N 2 1 317.477 2.533 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270851375 268226047 /nfs/dbraw/zinc/22/60/47/268226047.db2.gz HXUIEFYFKQGCJZ-HUUCEWRRSA-N 2 1 305.447 2.841 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cccs1 ZINC000270851375 268226050 /nfs/dbraw/zinc/22/60/50/268226050.db2.gz HXUIEFYFKQGCJZ-HUUCEWRRSA-N 2 1 305.447 2.841 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000270851371 268226298 /nfs/dbraw/zinc/22/62/98/268226298.db2.gz HXUIEFYFKQGCJZ-CABCVRRESA-N 2 1 305.447 2.841 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cccs1 ZINC000270851371 268226302 /nfs/dbraw/zinc/22/63/02/268226302.db2.gz HXUIEFYFKQGCJZ-CABCVRRESA-N 2 1 305.447 2.841 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270867212 268228820 /nfs/dbraw/zinc/22/88/20/268228820.db2.gz LCGVLJKOJBMFIT-QZTJIDSGSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270867212 268228822 /nfs/dbraw/zinc/22/88/22/268228822.db2.gz LCGVLJKOJBMFIT-QZTJIDSGSA-N 2 1 317.408 2.919 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470974 268249764 /nfs/dbraw/zinc/24/97/64/268249764.db2.gz YYBFGNKKVBNROG-WOJBJXKFSA-N 2 1 313.489 2.679 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000274525200 268257580 /nfs/dbraw/zinc/25/75/80/268257580.db2.gz SVRZRTSTHSPHQW-ROUUACIJSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000274525200 268257581 /nfs/dbraw/zinc/25/75/81/268257581.db2.gz SVRZRTSTHSPHQW-ROUUACIJSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000274525200 268257582 /nfs/dbraw/zinc/25/75/82/268257582.db2.gz SVRZRTSTHSPHQW-ROUUACIJSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000274525200 268257583 /nfs/dbraw/zinc/25/75/83/268257583.db2.gz SVRZRTSTHSPHQW-ROUUACIJSA-N 2 1 317.477 2.668 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000276627710 268262332 /nfs/dbraw/zinc/26/23/32/268262332.db2.gz IYTJXMWISFUVTQ-QZTJIDSGSA-N 2 1 313.445 2.936 20 0 DFADMP C[C@H](c1nc2ccccc2o1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000289173303 268279845 /nfs/dbraw/zinc/27/98/45/268279845.db2.gz FMSZOYNQZUEWKL-OAHLLOKOSA-N 2 1 318.465 2.704 20 0 DFADMP CC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000309998318 268336689 /nfs/dbraw/zinc/33/66/89/268336689.db2.gz COYJHRFYHQBKLM-CYBMUJFWSA-N 2 1 311.470 2.506 20 0 DFADMP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000313099577 268338520 /nfs/dbraw/zinc/33/85/20/268338520.db2.gz FPNBWHPIRLHWHR-OALUTQOASA-N 2 1 304.478 2.833 20 0 DFADMP Cc1cc(OCC[N@@H+]2CCCO[C@@H](C[NH3+])C2)ccc1C(C)C ZINC000313348280 268339388 /nfs/dbraw/zinc/33/93/88/268339388.db2.gz INLQINBBGZWJSU-KRWDZBQOSA-N 2 1 306.450 2.547 20 0 DFADMP Cc1cc(OCC[N@H+]2CCCO[C@@H](C[NH3+])C2)ccc1C(C)C ZINC000313348280 268339389 /nfs/dbraw/zinc/33/93/89/268339389.db2.gz INLQINBBGZWJSU-KRWDZBQOSA-N 2 1 306.450 2.547 20 0 DFADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337738 268339449 /nfs/dbraw/zinc/33/94/49/268339449.db2.gz JSAPJTSAZXDWBC-FZMZJTMJSA-N 2 1 302.340 2.816 20 0 DFADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313337738 268339450 /nfs/dbraw/zinc/33/94/50/268339450.db2.gz JSAPJTSAZXDWBC-FZMZJTMJSA-N 2 1 302.340 2.816 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)N2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000323175068 268349498 /nfs/dbraw/zinc/34/94/98/268349498.db2.gz BLTWMHICTJJPSZ-GOSISDBHSA-N 2 1 317.477 2.574 20 0 DFADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000333280932 268388940 /nfs/dbraw/zinc/38/89/40/268388940.db2.gz IVVSUJNQOBBLEK-KRWDZBQOSA-N 2 1 316.449 2.523 20 0 DFADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333289184 268389232 /nfs/dbraw/zinc/38/92/32/268389232.db2.gz OCPZGHSJOLVRFI-NYNFEOTOSA-N 2 1 313.445 2.549 20 0 DFADMP COC(=O)CCC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125636602 425983934 /nfs/dbraw/zinc/98/39/34/425983934.db2.gz ZGHHWQHBOMMOBB-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125636602 425983937 /nfs/dbraw/zinc/98/39/37/425983937.db2.gz ZGHHWQHBOMMOBB-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000125636602 425983938 /nfs/dbraw/zinc/98/39/38/425983938.db2.gz ZGHHWQHBOMMOBB-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000125636602 425983940 /nfs/dbraw/zinc/98/39/40/425983940.db2.gz ZGHHWQHBOMMOBB-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)cc(C)c3)C2)CC1 ZINC000107370465 425989723 /nfs/dbraw/zinc/98/97/23/425989723.db2.gz FLPLPVVMMHBVAB-LJQANCHMSA-N 2 1 301.478 2.515 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158755078 425947182 /nfs/dbraw/zinc/94/71/82/425947182.db2.gz ZWEVVUCCPNSOPE-ZJPYXAASSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158755078 425947183 /nfs/dbraw/zinc/94/71/83/425947183.db2.gz ZWEVVUCCPNSOPE-ZJPYXAASSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158755078 425947185 /nfs/dbraw/zinc/94/71/85/425947185.db2.gz ZWEVVUCCPNSOPE-ZJPYXAASSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158755078 425947186 /nfs/dbraw/zinc/94/71/86/425947186.db2.gz ZWEVVUCCPNSOPE-ZJPYXAASSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158755078 425947188 /nfs/dbraw/zinc/94/71/88/425947188.db2.gz ZWEVVUCCPNSOPE-ZJPYXAASSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000158909768 425949822 /nfs/dbraw/zinc/94/98/22/425949822.db2.gz LBGNULWHPZFFCZ-INIZCTEOSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(OC)c1 ZINC000158883780 425950051 /nfs/dbraw/zinc/95/00/51/425950051.db2.gz TZVXEMFJOIABKP-IEBWSBKVSA-N 2 1 320.477 2.829 20 0 DFADMP Cc1ccc(N2CCC([NH2+][C@@H](C)CCn3cccn3)CC2)[nH+]c1 ZINC000158868981 425950183 /nfs/dbraw/zinc/95/01/83/425950183.db2.gz BZKUIYWMUHPESU-INIZCTEOSA-N 2 1 313.449 2.624 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000125050930 425950535 /nfs/dbraw/zinc/95/05/35/425950535.db2.gz JPQSFWHULQQCHW-NVXWUHKLSA-N 2 1 320.481 2.598 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000125050930 425950537 /nfs/dbraw/zinc/95/05/37/425950537.db2.gz JPQSFWHULQQCHW-NVXWUHKLSA-N 2 1 320.481 2.598 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2c(s1)CCC2 ZINC000158935038 425951215 /nfs/dbraw/zinc/95/12/15/425951215.db2.gz FKFBNNMKBATKOL-GDBMZVCRSA-N 2 1 322.518 2.980 20 0 DFADMP C[C@H](c1cccnc1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000125206228 425958829 /nfs/dbraw/zinc/95/88/29/425958829.db2.gz YRMCXSUWCXMKKR-GOSISDBHSA-N 2 1 316.493 2.636 20 0 DFADMP CCC[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+](C)C ZINC000161612097 426032276 /nfs/dbraw/zinc/03/22/76/426032276.db2.gz IVYOYCGLSIBJEK-GOSISDBHSA-N 2 1 319.493 2.873 20 0 DFADMP COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000161639674 426033461 /nfs/dbraw/zinc/03/34/61/426033461.db2.gz OPLKPDZOZLHJMO-SOUVJXGZSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000161639674 426033465 /nfs/dbraw/zinc/03/34/65/426033465.db2.gz OPLKPDZOZLHJMO-SOUVJXGZSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000161639674 426033467 /nfs/dbraw/zinc/03/34/67/426033467.db2.gz OPLKPDZOZLHJMO-SOUVJXGZSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111230880 426039554 /nfs/dbraw/zinc/03/95/54/426039554.db2.gz WLZHCYOLPNTTRK-MJGOQNOKSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000111230882 426039644 /nfs/dbraw/zinc/03/96/44/426039644.db2.gz WLZHCYOLPNTTRK-IEBWSBKVSA-N 2 1 301.478 2.850 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCC(=O)N(C)C)cc1 ZINC000161849269 426042507 /nfs/dbraw/zinc/04/25/07/426042507.db2.gz DGZNCXLZXPBSQC-CQSZACIVSA-N 2 1 314.433 2.700 20 0 DFADMP C[C@](O)(C[NH+]1CCC([NH2+]C2CCCC2)CC1)c1ccccc1 ZINC000111300871 426046050 /nfs/dbraw/zinc/04/60/50/426046050.db2.gz YZRAAQNSNNCYFF-IBGZPJMESA-N 2 1 302.462 2.891 20 0 DFADMP C(CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCCCC1 ZINC000161984495 426048413 /nfs/dbraw/zinc/04/84/13/426048413.db2.gz KBXLNPIXIHCMAY-MJGOQNOKSA-N 2 1 305.510 2.811 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000162145730 426054211 /nfs/dbraw/zinc/05/42/11/426054211.db2.gz VASHGEKKWPVYML-PXNSSMCTSA-N 2 1 315.505 2.889 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000162145637 426054400 /nfs/dbraw/zinc/05/44/00/426054400.db2.gz VASHGEKKWPVYML-FXAWDEMLSA-N 2 1 315.505 2.889 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162422129 426064432 /nfs/dbraw/zinc/06/44/32/426064432.db2.gz NXORGPDJGPSGKZ-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000127906069 426092540 /nfs/dbraw/zinc/09/25/40/426092540.db2.gz RKOHIHPUWOVCED-CRAIPNDOSA-N 2 1 308.441 2.756 20 0 DFADMP Cc1cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)s1 ZINC000127970568 426095085 /nfs/dbraw/zinc/09/50/85/426095085.db2.gz JSNPLJOLLQEARK-ZFWWWQNUSA-N 2 1 323.506 2.603 20 0 DFADMP C[C@@H]([C@H](C)[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000128066429 426099923 /nfs/dbraw/zinc/09/99/23/426099923.db2.gz GVSUZWVDCIBOKA-BQFCYCMXSA-N 2 1 323.525 2.768 20 0 DFADMP CCc1nc(C)c([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000128247402 426109415 /nfs/dbraw/zinc/10/94/15/426109415.db2.gz OCAHJRIDYIXHRI-AWEZNQCLSA-N 2 1 324.538 2.692 20 0 DFADMP Cc1cc(C)c(CN2CCN(Cc3nccn3C)CC2)c(C)c1 ZINC000113253448 426109663 /nfs/dbraw/zinc/10/96/63/426109663.db2.gz WFWRUFOOTZNUOL-UHFFFAOYSA-N 2 1 312.461 2.663 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)C(C)(C)[NH3+])C1 ZINC000164843698 426118082 /nfs/dbraw/zinc/11/80/82/426118082.db2.gz OKMYERLYPBWMCU-GASCZTMLSA-N 2 1 317.477 2.518 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000128481764 426118673 /nfs/dbraw/zinc/11/86/73/426118673.db2.gz ROUNUHOZXXYVLS-GOSISDBHSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000166046762 426126229 /nfs/dbraw/zinc/12/62/29/426126229.db2.gz FYORQUILLJTADW-GASCZTMLSA-N 2 1 317.477 2.632 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000166282080 426127171 /nfs/dbraw/zinc/12/71/71/426127171.db2.gz FOXCPUXNMQOOFX-IBGZPJMESA-N 2 1 302.462 2.809 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166888606 426129380 /nfs/dbraw/zinc/12/93/80/426129380.db2.gz PLKDSOHKZSJSDK-LBPRGKRZSA-N 2 1 312.255 2.664 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166888606 426129384 /nfs/dbraw/zinc/12/93/84/426129384.db2.gz PLKDSOHKZSJSDK-LBPRGKRZSA-N 2 1 312.255 2.664 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000127661922 426078581 /nfs/dbraw/zinc/07/85/81/426078581.db2.gz MXSCIZIKIVHLMP-SCTDSRPQSA-N 2 1 318.509 2.612 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)c1 ZINC000127659370 426079000 /nfs/dbraw/zinc/07/90/00/426079000.db2.gz KGWGIWLZBMHTIG-LMMKCTJWSA-N 2 1 317.477 2.514 20 0 DFADMP Cc1nc(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000130300236 426153787 /nfs/dbraw/zinc/15/37/87/426153787.db2.gz YISVCHHNMRRVEB-RHSMWYFYSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000130300236 426153789 /nfs/dbraw/zinc/15/37/89/426153789.db2.gz YISVCHHNMRRVEB-RHSMWYFYSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000130300236 426153792 /nfs/dbraw/zinc/15/37/92/426153792.db2.gz YISVCHHNMRRVEB-RHSMWYFYSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000130300236 426153793 /nfs/dbraw/zinc/15/37/93/426153793.db2.gz YISVCHHNMRRVEB-RHSMWYFYSA-N 2 1 305.491 2.943 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCn2ccnc2C)s1 ZINC000130359028 426156679 /nfs/dbraw/zinc/15/66/79/426156679.db2.gz VZHDZJBHTQWCCV-UHFFFAOYSA-N 2 1 307.419 2.562 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)s1 ZINC000130359028 426156684 /nfs/dbraw/zinc/15/66/84/426156684.db2.gz VZHDZJBHTQWCCV-UHFFFAOYSA-N 2 1 307.419 2.562 20 0 DFADMP C(=C/c1ccccc1)\C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000078659768 426179131 /nfs/dbraw/zinc/17/91/31/426179131.db2.gz BNTOZUSAMIEQBU-JXMROGBWSA-N 2 1 313.489 2.803 20 0 DFADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000134138898 426184859 /nfs/dbraw/zinc/18/48/59/426184859.db2.gz YPLXNKATQQYDLA-FGTMMUONSA-N 2 1 321.509 2.511 20 0 DFADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000134138898 426184862 /nfs/dbraw/zinc/18/48/62/426184862.db2.gz YPLXNKATQQYDLA-FGTMMUONSA-N 2 1 321.509 2.511 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000134534844 426187768 /nfs/dbraw/zinc/18/77/68/426187768.db2.gz PILKQAAWAYSBQK-UHFFFAOYSA-N 2 1 312.255 2.618 20 0 DFADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC1CCCCC1 ZINC000116397318 426189012 /nfs/dbraw/zinc/18/90/12/426189012.db2.gz CYRUYPJJVVUYIW-GDBMZVCRSA-N 2 1 311.514 2.780 20 0 DFADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC1CCCCC1 ZINC000116397312 426189076 /nfs/dbraw/zinc/18/90/76/426189076.db2.gz CYRUYPJJVVUYIW-ZBFHGGJFSA-N 2 1 311.514 2.780 20 0 DFADMP CC[C@@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171501522 426190977 /nfs/dbraw/zinc/19/09/77/426190977.db2.gz JNBCDPSECUXPBI-SFHVURJKSA-N 2 1 318.461 2.782 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2OC)[C@H](C)C1 ZINC000081096233 426219863 /nfs/dbraw/zinc/21/98/63/426219863.db2.gz JJFLKQGPKYZPDT-CVEARBPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2OC)[C@H](C)C1 ZINC000081096233 426219865 /nfs/dbraw/zinc/21/98/65/426219865.db2.gz JJFLKQGPKYZPDT-CVEARBPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2OC)[C@H](C)C1 ZINC000081096233 426219868 /nfs/dbraw/zinc/21/98/68/426219868.db2.gz JJFLKQGPKYZPDT-CVEARBPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000172623860 426229385 /nfs/dbraw/zinc/22/93/85/426229385.db2.gz KCGLVAVZZICBDW-SFHVURJKSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1ccc2c(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cc(=O)oc2c1 ZINC000118843207 426247531 /nfs/dbraw/zinc/24/75/31/426247531.db2.gz YEHKQOHFMCXMFS-OAHLLOKOSA-N 2 1 314.429 2.875 20 0 DFADMP Cc1ccc2c(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cc(=O)oc2c1 ZINC000118843207 426247532 /nfs/dbraw/zinc/24/75/32/426247532.db2.gz YEHKQOHFMCXMFS-OAHLLOKOSA-N 2 1 314.429 2.875 20 0 DFADMP Cc1ccc2c(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cc(=O)oc2c1 ZINC000118843207 426247535 /nfs/dbraw/zinc/24/75/35/426247535.db2.gz YEHKQOHFMCXMFS-OAHLLOKOSA-N 2 1 314.429 2.875 20 0 DFADMP Cc1ccc2c(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cc(=O)oc2c1 ZINC000118843207 426247536 /nfs/dbraw/zinc/24/75/36/426247536.db2.gz YEHKQOHFMCXMFS-OAHLLOKOSA-N 2 1 314.429 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119113543 426263947 /nfs/dbraw/zinc/26/39/47/426263947.db2.gz JVPHIVISLZFTGN-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119113543 426263952 /nfs/dbraw/zinc/26/39/52/426263952.db2.gz JVPHIVISLZFTGN-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119113543 426263955 /nfs/dbraw/zinc/26/39/55/426263955.db2.gz JVPHIVISLZFTGN-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113543 426263957 /nfs/dbraw/zinc/26/39/57/426263957.db2.gz JVPHIVISLZFTGN-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113543 426263961 /nfs/dbraw/zinc/26/39/61/426263961.db2.gz JVPHIVISLZFTGN-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174894929 426266617 /nfs/dbraw/zinc/26/66/17/426266617.db2.gz AKDUIXMUIRCLOA-MJGOQNOKSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174894929 426266618 /nfs/dbraw/zinc/26/66/18/426266618.db2.gz AKDUIXMUIRCLOA-MJGOQNOKSA-N 2 1 301.478 2.850 20 0 DFADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)ccn1 ZINC000119483596 426292285 /nfs/dbraw/zinc/29/22/85/426292285.db2.gz KTTFSGQXGPPATK-MRXNPFEDSA-N 2 1 302.422 2.776 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000089555845 426296320 /nfs/dbraw/zinc/29/63/20/426296320.db2.gz LHUKIJMNSHGCLH-CYBMUJFWSA-N 2 1 319.478 2.543 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000119650891 426300583 /nfs/dbraw/zinc/30/05/83/426300583.db2.gz APCGEWLOTNVXQF-RDJZCZTQSA-N 2 1 320.452 2.847 20 0 DFADMP COC(=O)c1cc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)s1 ZINC000151663339 426306333 /nfs/dbraw/zinc/30/63/33/426306333.db2.gz PPAQSZYDIKQSAB-RISCZKNCSA-N 2 1 310.463 2.758 20 0 DFADMP C[N@@H+](CCCOCCc1ccccc1)C[C@H]1CCC[NH+](C)C1 ZINC000152346285 426339961 /nfs/dbraw/zinc/33/99/61/426339961.db2.gz LQDQQFDNAKGQSF-IBGZPJMESA-N 2 1 304.478 2.909 20 0 DFADMP C[NH+](CCCOCCc1ccccc1)C[C@H]1CCC[N@H+](C)C1 ZINC000152346285 426339963 /nfs/dbraw/zinc/33/99/63/426339963.db2.gz LQDQQFDNAKGQSF-IBGZPJMESA-N 2 1 304.478 2.909 20 0 DFADMP C[NH+](CCCOCCc1ccccc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152346285 426339966 /nfs/dbraw/zinc/33/99/66/426339966.db2.gz LQDQQFDNAKGQSF-IBGZPJMESA-N 2 1 304.478 2.909 20 0 DFADMP COc1cccc(C[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C2CC2)c1 ZINC000121107242 426322297 /nfs/dbraw/zinc/32/22/97/426322297.db2.gz MKVNCKCTFGVFAA-RBUKOAKNSA-N 2 1 302.462 2.946 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)Cc2[nH+]cc(C)c(OC)c2C)[C@H](C)C1 ZINC000175720400 426322746 /nfs/dbraw/zinc/32/27/46/426322746.db2.gz TYUASYRGYBBOPV-RHSMWYFYSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2[nH+]cc(C)c(OC)c2C)[C@H](C)C1 ZINC000175720400 426322747 /nfs/dbraw/zinc/32/27/47/426322747.db2.gz TYUASYRGYBBOPV-RHSMWYFYSA-N 2 1 305.466 2.869 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2ccccc2OC(F)(F)F)CC1 ZINC000090234817 426324602 /nfs/dbraw/zinc/32/46/02/426324602.db2.gz VXCQESANUYDDTH-UHFFFAOYSA-N 2 1 302.340 2.812 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585192 426329707 /nfs/dbraw/zinc/32/97/07/426329707.db2.gz NVRRXPYLBQOPSF-IAGOWNOFSA-N 2 1 311.514 2.591 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090719023 426331047 /nfs/dbraw/zinc/33/10/47/426331047.db2.gz OFWMLPAHEWCJLQ-GJYPPUQNSA-N 2 1 320.477 2.920 20 0 DFADMP CCCN1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000121352125 426336021 /nfs/dbraw/zinc/33/60/21/426336021.db2.gz FKDXKGIBJOXVFN-UHFFFAOYSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1ccc(CC[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000152296140 426336628 /nfs/dbraw/zinc/33/66/28/426336628.db2.gz GGMXILAIYWTCRE-HXUWFJFHSA-N 2 1 315.505 2.639 20 0 DFADMP Cc1ccc(CC[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000152296140 426336632 /nfs/dbraw/zinc/33/66/32/426336632.db2.gz GGMXILAIYWTCRE-HXUWFJFHSA-N 2 1 315.505 2.639 20 0 DFADMP COC(=O)c1sccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000088523262 426276865 /nfs/dbraw/zinc/27/68/65/426276865.db2.gz PKOMMRXUGAYBNF-UHFFFAOYSA-N 2 1 310.463 2.698 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2NCCC[N@@H+]1CCc2ccccc2C1 ZINC000122814311 426396050 /nfs/dbraw/zinc/39/60/50/426396050.db2.gz YEYNSPOMNPWZIF-IBGZPJMESA-N 2 1 324.472 2.836 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000122814311 426396054 /nfs/dbraw/zinc/39/60/54/426396054.db2.gz YEYNSPOMNPWZIF-IBGZPJMESA-N 2 1 324.472 2.836 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000122814311 426396057 /nfs/dbraw/zinc/39/60/57/426396057.db2.gz YEYNSPOMNPWZIF-IBGZPJMESA-N 2 1 324.472 2.836 20 0 DFADMP Cc1cccc(NC[C@H]2CCN(CC[NH+]3CCC(C)CC3)C2)n1 ZINC000153677343 426398473 /nfs/dbraw/zinc/39/84/73/426398473.db2.gz LKSHUBSBGVXTJZ-GOSISDBHSA-N 2 1 316.493 2.856 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CCOC2)cc1F ZINC000153695414 426399999 /nfs/dbraw/zinc/39/99/99/426399999.db2.gz UZJZQGLCVIXSRA-DOMZBBRYSA-N 2 1 303.381 2.834 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000152447626 426342680 /nfs/dbraw/zinc/34/26/80/426342680.db2.gz RKNVNTYAVAQOKA-RXSFTSLZSA-N 2 1 306.475 2.559 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000092747735 426351065 /nfs/dbraw/zinc/35/10/65/426351065.db2.gz RDNANHZJCNJILL-TZMCWYRMSA-N 2 1 311.495 2.633 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000092747735 426351069 /nfs/dbraw/zinc/35/10/69/426351069.db2.gz RDNANHZJCNJILL-TZMCWYRMSA-N 2 1 311.495 2.633 20 0 DFADMP C[C@H]1CCC[C@H](C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000092796436 426352816 /nfs/dbraw/zinc/35/28/16/426352816.db2.gz ZGAPTDHKWBDIKK-FHWLQOOXSA-N 2 1 307.526 2.915 20 0 DFADMP Cc1c(CNC[C@]2(C)CCC[N@@H+]2Cc2ccccc2)cnn1C ZINC000121794087 426353484 /nfs/dbraw/zinc/35/34/84/426353484.db2.gz AHCWBVBNAUFMGA-IBGZPJMESA-N 2 1 312.461 2.873 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000122191472 426362798 /nfs/dbraw/zinc/36/27/98/426362798.db2.gz YFDJBTBADLQHAK-SFHVURJKSA-N 2 1 312.498 2.626 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000152980941 426365167 /nfs/dbraw/zinc/36/51/67/426365167.db2.gz ZDKZPBXPJSNYQR-YTQUADARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000152980941 426365170 /nfs/dbraw/zinc/36/51/70/426365170.db2.gz ZDKZPBXPJSNYQR-YTQUADARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000152980941 426365173 /nfs/dbraw/zinc/36/51/73/426365173.db2.gz ZDKZPBXPJSNYQR-YTQUADARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000152980941 426365175 /nfs/dbraw/zinc/36/51/75/426365175.db2.gz ZDKZPBXPJSNYQR-YTQUADARSA-N 2 1 301.478 2.723 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CSCCc2ccccc21 ZINC000153779932 426406033 /nfs/dbraw/zinc/40/60/33/426406033.db2.gz JSEPHMUQBJUMON-QGZVFWFLSA-N 2 1 308.491 2.575 20 0 DFADMP C[C@@H]1C[C@@H](NCc2ccnc(OC3CCCC3)c2)CC[N@H+]1C ZINC000153333848 426380293 /nfs/dbraw/zinc/38/02/93/426380293.db2.gz IOYCAXGECWTCIQ-ZBFHGGJFSA-N 2 1 303.450 2.975 20 0 DFADMP CCc1ccc(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123024044 426408659 /nfs/dbraw/zinc/40/86/59/426408659.db2.gz PLFICJKXEHVULW-RHSMWYFYSA-N 2 1 303.450 2.602 20 0 DFADMP CCSCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000123041624 426410171 /nfs/dbraw/zinc/41/01/71/426410171.db2.gz MLAOMLUHFGETFQ-GASCZTMLSA-N 2 1 300.512 2.561 20 0 DFADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)cc1 ZINC000153976298 426415697 /nfs/dbraw/zinc/41/56/97/426415697.db2.gz WAMNDGWNVZAGGB-RTBURBONSA-N 2 1 315.505 2.985 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1 ZINC000123449806 426435128 /nfs/dbraw/zinc/43/51/28/426435128.db2.gz SEGFXEJLFKTXPH-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123449806 426435130 /nfs/dbraw/zinc/43/51/30/426435130.db2.gz SEGFXEJLFKTXPH-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000123449806 426435133 /nfs/dbraw/zinc/43/51/33/426435133.db2.gz SEGFXEJLFKTXPH-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000123449806 426435137 /nfs/dbraw/zinc/43/51/37/426435137.db2.gz SEGFXEJLFKTXPH-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123449806 426435139 /nfs/dbraw/zinc/43/51/39/426435139.db2.gz SEGFXEJLFKTXPH-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cccnc2Cl)CC1 ZINC000154475674 426441774 /nfs/dbraw/zinc/44/17/74/426441774.db2.gz HDJKWUIGQQSRSE-OAHLLOKOSA-N 2 1 324.900 2.803 20 0 DFADMP C[C@@]1(C[N@H+]2CC[C@@H](OCCCc3ccccc3)C2)CC[NH2+]C1 ZINC000340706162 269001818 /nfs/dbraw/zinc/00/18/18/269001818.db2.gz GFSPNZXDDUEVOI-RTBURBONSA-N 2 1 302.462 2.710 20 0 DFADMP COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000340706112 269002389 /nfs/dbraw/zinc/00/23/89/269002389.db2.gz FYLYYVINWKIPAZ-IBGZPJMESA-N 2 1 320.477 2.576 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000341332201 269071145 /nfs/dbraw/zinc/07/11/45/269071145.db2.gz SOUXREDPZMDGRQ-NXJYUQPGSA-N 2 1 302.462 2.646 20 0 DFADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000177209570 426454585 /nfs/dbraw/zinc/45/45/85/426454585.db2.gz RAQAOHCHDNQBQH-QFBILLFUSA-N 2 1 301.478 2.753 20 0 DFADMP C[N@H+](Cc1cn2cc(Cl)ccc2n1)CC1CC[NH+](C)CC1 ZINC000154782418 426455013 /nfs/dbraw/zinc/45/50/13/426455013.db2.gz SLYQPEICXVBFMP-UHFFFAOYSA-N 2 1 306.841 2.761 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)C2CC2)CC1 ZINC000177223756 426456751 /nfs/dbraw/zinc/45/67/51/426456751.db2.gz WKHDZJYSDKLPIU-INIZCTEOSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000124146145 426472012 /nfs/dbraw/zinc/47/20/12/426472012.db2.gz LTFOBMCUAGHJIT-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCCO2 ZINC000124372843 426481329 /nfs/dbraw/zinc/48/13/29/426481329.db2.gz NRIUSKSDUWQELT-LSDHHAIUSA-N 2 1 316.445 2.983 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000124358151 426481484 /nfs/dbraw/zinc/48/14/84/426481484.db2.gz JPMKEOGHNYHATQ-GOEBONIOSA-N 2 1 318.461 2.709 20 0 DFADMP C[N@@H+](CCCn1ccnc1)CC(=O)Nc1cccc2ccccc21 ZINC000124410602 426483503 /nfs/dbraw/zinc/48/35/03/426483503.db2.gz CGOUQHCCJNXSPQ-UHFFFAOYSA-N 2 1 322.412 2.997 20 0 DFADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272364362 426507651 /nfs/dbraw/zinc/50/76/51/426507651.db2.gz SPBSZPJDGWXSGD-IPELMVKDSA-N 2 1 302.462 2.912 20 0 DFADMP CC1(C)OCc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2O1 ZINC000186364422 426512549 /nfs/dbraw/zinc/51/25/49/426512549.db2.gz DIJRRAQWUDBALD-OAHLLOKOSA-N 2 1 316.445 2.906 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750939 426514483 /nfs/dbraw/zinc/51/44/83/426514483.db2.gz FXYUVGSABASKPQ-IJEWVQPXSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750939 426514486 /nfs/dbraw/zinc/51/44/86/426514486.db2.gz FXYUVGSABASKPQ-IJEWVQPXSA-N 2 1 317.433 2.777 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(Cc3cccc(Br)n3)CC[C@@H]21 ZINC000272444611 426525272 /nfs/dbraw/zinc/52/52/72/426525272.db2.gz UOSSYBLVFJTFJW-OCCSQVGLSA-N 2 1 324.266 2.760 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](C)C[C@H](C)O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272548804 426554720 /nfs/dbraw/zinc/55/47/20/426554720.db2.gz DWFYUNMCQXFHIZ-BMFAXAFESA-N 2 1 304.478 2.894 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272469882 426533229 /nfs/dbraw/zinc/53/32/29/426533229.db2.gz LEFKWKRFIOTKDN-PKOBYXMFSA-N 2 1 312.461 2.692 20 0 DFADMP C/C=C/C[C@@H](CO)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186510231 426540740 /nfs/dbraw/zinc/54/07/40/426540740.db2.gz YKPORBWMBCVVTD-HEWCPETLSA-N 2 1 314.473 2.814 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000177936945 426544055 /nfs/dbraw/zinc/54/40/55/426544055.db2.gz YHJZYVFFDZJPND-IYJAJMOOSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000177936945 426544059 /nfs/dbraw/zinc/54/40/59/426544059.db2.gz YHJZYVFFDZJPND-IYJAJMOOSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1C ZINC000177968724 426547674 /nfs/dbraw/zinc/54/76/74/426547674.db2.gz UUUNHBTVGJRMKJ-YLJYHZDGSA-N 2 1 315.505 2.766 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC[C@@H]4CCCO4)C[C@H]3C2)cc1 ZINC000280332753 426552019 /nfs/dbraw/zinc/55/20/19/426552019.db2.gz HIZITIPCWKAYOG-OTWHNJEPSA-N 2 1 300.446 2.619 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)c(C)c1 ZINC000265191159 426595149 /nfs/dbraw/zinc/59/51/49/426595149.db2.gz HHMAJZGNMWHONH-UHFFFAOYSA-N 2 1 304.478 2.890 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)c(C)c1 ZINC000265191159 426595154 /nfs/dbraw/zinc/59/51/54/426595154.db2.gz HHMAJZGNMWHONH-UHFFFAOYSA-N 2 1 304.478 2.890 20 0 DFADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000273120704 426597108 /nfs/dbraw/zinc/59/71/08/426597108.db2.gz ZHLOSVDMEGDLCU-BHIYHBOVSA-N 2 1 310.445 2.718 20 0 DFADMP COc1c(C)cnc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000178309606 426604870 /nfs/dbraw/zinc/60/48/70/426604870.db2.gz UNQFJUBCBUOZDJ-INIZCTEOSA-N 2 1 314.433 2.877 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1C ZINC000178309606 426604877 /nfs/dbraw/zinc/60/48/77/426604877.db2.gz UNQFJUBCBUOZDJ-INIZCTEOSA-N 2 1 314.433 2.877 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000273172687 426607691 /nfs/dbraw/zinc/60/76/91/426607691.db2.gz MQESXWOPPKNTCH-SJORKVTESA-N 2 1 320.477 2.809 20 0 DFADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178332846 426608685 /nfs/dbraw/zinc/60/86/85/426608685.db2.gz BLGAGSSHIWNFPN-DOTOQJQBSA-N 2 1 320.481 2.741 20 0 DFADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178332846 426608691 /nfs/dbraw/zinc/60/86/91/426608691.db2.gz BLGAGSSHIWNFPN-DOTOQJQBSA-N 2 1 320.481 2.741 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000187017139 426619619 /nfs/dbraw/zinc/61/96/19/426619619.db2.gz BDDZNWTUVWBJJV-QGZVFWFLSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cnn(C)c1 ZINC000272562496 426558811 /nfs/dbraw/zinc/55/88/11/426558811.db2.gz NXDIRDIXOXFNFD-LWCVALJOSA-N 2 1 324.472 2.981 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnn(C)c2)CC1 ZINC000178390736 426620528 /nfs/dbraw/zinc/62/05/28/426620528.db2.gz KFYYWHJYXNKGPQ-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N1CCC([NH+]2CCCCC2)CC1 ZINC000280687814 426635150 /nfs/dbraw/zinc/63/51/50/426635150.db2.gz IYEOIJFBSMUMIY-UHFFFAOYSA-N 2 1 317.433 2.713 20 0 DFADMP COC(C)(C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000178468801 426635397 /nfs/dbraw/zinc/63/53/97/426635397.db2.gz UEFIRRRYFJAYCZ-UHFFFAOYSA-N 2 1 308.441 2.847 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@@H]21 ZINC000230047716 426641751 /nfs/dbraw/zinc/64/17/51/426641751.db2.gz JKBFBIHOYAKJKK-KWCYVHTRSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@@H]21 ZINC000230047716 426641754 /nfs/dbraw/zinc/64/17/54/426641754.db2.gz JKBFBIHOYAKJKK-KWCYVHTRSA-N 2 1 303.431 2.962 20 0 DFADMP CCc1nc2c(s1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000178521388 426644920 /nfs/dbraw/zinc/64/49/20/426644920.db2.gz SRPNBHLYJMOCKH-CQSZACIVSA-N 2 1 323.506 2.519 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000265486895 426645537 /nfs/dbraw/zinc/64/55/37/426645537.db2.gz JKTXYARZWJMKKL-UHFFFAOYSA-N 2 1 300.450 2.578 20 0 DFADMP CC[N@H+](Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1)C1CC1 ZINC000273349068 426648440 /nfs/dbraw/zinc/64/84/40/426648440.db2.gz PLNXBZFUCBXEGI-UHFFFAOYSA-N 2 1 300.406 2.783 20 0 DFADMP CC[N@@H+](Cc1nc(-c2ccc(C[NH+](C)C)cc2)no1)C1CC1 ZINC000273349068 426648447 /nfs/dbraw/zinc/64/84/47/426648447.db2.gz PLNXBZFUCBXEGI-UHFFFAOYSA-N 2 1 300.406 2.783 20 0 DFADMP CC[N@@H+](Cc1cnc2cnccn12)Cc1ccc(C[NH+](C)C)cc1 ZINC000289404704 426650359 /nfs/dbraw/zinc/65/03/59/426650359.db2.gz GYKTWXWXEVYNII-UHFFFAOYSA-N 2 1 323.444 2.813 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccnc1 ZINC000289418160 426651861 /nfs/dbraw/zinc/65/18/61/426651861.db2.gz IRVCEPZKWCDHEH-UHFFFAOYSA-N 2 1 313.449 2.780 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1c[nH]nc1-c1cccnc1 ZINC000289418160 426651866 /nfs/dbraw/zinc/65/18/66/426651866.db2.gz IRVCEPZKWCDHEH-UHFFFAOYSA-N 2 1 313.449 2.780 20 0 DFADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280797357 426657789 /nfs/dbraw/zinc/65/77/89/426657789.db2.gz GYNXCABQPXVGEV-RDJZCZTQSA-N 2 1 316.424 2.974 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000236594831 426665414 /nfs/dbraw/zinc/66/54/14/426665414.db2.gz QCTRJPXDYDEMJW-IBGZPJMESA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000236594831 426665421 /nfs/dbraw/zinc/66/54/21/426665421.db2.gz QCTRJPXDYDEMJW-IBGZPJMESA-N 2 1 313.489 2.867 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000178634556 426667866 /nfs/dbraw/zinc/66/78/66/426667866.db2.gz PYJONMFCDLNGBD-FXAWDEMLSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000178634556 426667869 /nfs/dbraw/zinc/66/78/69/426667869.db2.gz PYJONMFCDLNGBD-FXAWDEMLSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289580385 426669078 /nfs/dbraw/zinc/66/90/78/426669078.db2.gz WLTZDDSUXMXXQI-GOSISDBHSA-N 2 1 310.445 2.719 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289580385 426669082 /nfs/dbraw/zinc/66/90/82/426669082.db2.gz WLTZDDSUXMXXQI-GOSISDBHSA-N 2 1 310.445 2.719 20 0 DFADMP CC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289614778 426671395 /nfs/dbraw/zinc/67/13/95/426671395.db2.gz DGUOEJCTIULMEA-VDZJLULYSA-N 2 1 302.462 2.937 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000236655533 426671707 /nfs/dbraw/zinc/67/17/07/426671707.db2.gz SIUKAJNTMZHHMX-CRAIPNDOSA-N 2 1 317.477 2.661 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000178662288 426672581 /nfs/dbraw/zinc/67/25/81/426672581.db2.gz ZWHJXEXPSUVMMV-XEZPLFJOSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000236685971 426674298 /nfs/dbraw/zinc/67/42/98/426674298.db2.gz TZVBIZYQQZLVLT-IBGZPJMESA-N 2 1 304.478 2.690 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000236695461 426677669 /nfs/dbraw/zinc/67/76/69/426677669.db2.gz QGBYLHUSZCRYPE-DZKIICNBSA-N 2 1 323.506 2.621 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236703792 426678740 /nfs/dbraw/zinc/67/87/40/426678740.db2.gz XIHRXNXZYGUXNY-KRWDZBQOSA-N 2 1 305.466 2.516 20 0 DFADMP CCOC(=O)C1CCC([NH2+][C@H](C)C[NH+]2CCCCCC2)CC1 ZINC000187625537 426678970 /nfs/dbraw/zinc/67/89/70/426678970.db2.gz OMGOWAQFXXUIST-KLAILNCOSA-N 2 1 310.482 2.962 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000236763179 426685450 /nfs/dbraw/zinc/68/54/50/426685450.db2.gz RRDZCLMARPOORL-XYJFISCASA-N 2 1 317.477 2.513 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000178440212 426628166 /nfs/dbraw/zinc/62/81/66/426628166.db2.gz VMPXZEKAEDTRFI-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289330403 426629791 /nfs/dbraw/zinc/62/97/91/426629791.db2.gz HQXNOTFPUQQRNF-HKUYNNGSSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000289330403 426629793 /nfs/dbraw/zinc/62/97/93/426629793.db2.gz HQXNOTFPUQQRNF-HKUYNNGSSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000289330403 426629795 /nfs/dbraw/zinc/62/97/95/426629795.db2.gz HQXNOTFPUQQRNF-HKUYNNGSSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000289330403 426629797 /nfs/dbraw/zinc/62/97/97/426629797.db2.gz HQXNOTFPUQQRNF-HKUYNNGSSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000178754890 426688135 /nfs/dbraw/zinc/68/81/35/426688135.db2.gz PVGXDIDORFXDHG-AWEZNQCLSA-N 2 1 313.449 2.752 20 0 DFADMP CSC1(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000290213206 426718299 /nfs/dbraw/zinc/71/82/99/426718299.db2.gz DZEQRZRLSPLSIY-UHFFFAOYSA-N 2 1 306.479 2.547 20 0 DFADMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000187778008 426692769 /nfs/dbraw/zinc/69/27/69/426692769.db2.gz NSKWVSUFFFWJOJ-AEFFLSMTSA-N 2 1 312.498 2.530 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(F)c1 ZINC000266743435 426771330 /nfs/dbraw/zinc/77/13/30/426771330.db2.gz ABHSSVKRULZEMU-ZFWWWQNUSA-N 2 1 312.404 2.852 20 0 DFADMP Cc1nccn1CCCC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000179264371 426772369 /nfs/dbraw/zinc/77/23/69/426772369.db2.gz SBNSTYMOYDUXSN-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H]1COc2ccccc2O1 ZINC000179264371 426772377 /nfs/dbraw/zinc/77/23/77/426772377.db2.gz SBNSTYMOYDUXSN-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000274498645 426779666 /nfs/dbraw/zinc/77/96/66/426779666.db2.gz RACGINOLMPFSKL-ZDUSSCGKSA-N 2 1 323.391 2.954 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000274498645 426779669 /nfs/dbraw/zinc/77/96/69/426779669.db2.gz RACGINOLMPFSKL-ZDUSSCGKSA-N 2 1 323.391 2.954 20 0 DFADMP COC(=O)C1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000188691926 426779679 /nfs/dbraw/zinc/77/96/79/426779679.db2.gz XYRJENPEERQLGC-UHFFFAOYSA-N 2 1 318.461 2.687 20 0 DFADMP COCCOc1ccccc1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000290535810 426786894 /nfs/dbraw/zinc/78/68/94/426786894.db2.gz QXHZCOVJNQEKAB-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP COCCOc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000290535810 426786896 /nfs/dbraw/zinc/78/68/96/426786896.db2.gz QXHZCOVJNQEKAB-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CC1CC[NH2+]CC1)OCCO2 ZINC000178955813 426724994 /nfs/dbraw/zinc/72/49/94/426724994.db2.gz RJIRJIIVMCHQAZ-INIZCTEOSA-N 2 1 302.418 2.594 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1OC ZINC000178956810 426726181 /nfs/dbraw/zinc/72/61/81/426726181.db2.gz VIRINCCEEQWSIT-INIZCTEOSA-N 2 1 304.434 2.840 20 0 DFADMP COc1cc2c(NCC[N@H+]3CCCOCC3)cc[nH+]c2cc1F ZINC000281603524 426727097 /nfs/dbraw/zinc/72/70/97/426727097.db2.gz YJHIQOLOTKJQKF-UHFFFAOYSA-N 2 1 319.380 2.517 20 0 DFADMP Brc1cccc2c1C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000178973993 426728194 /nfs/dbraw/zinc/72/81/94/426728194.db2.gz BOUCMISPLNEEMW-UHFFFAOYSA-N 2 1 309.251 2.807 20 0 DFADMP COc1c(O)cccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290297708 426733612 /nfs/dbraw/zinc/73/36/12/426733612.db2.gz AXXDVNWLTJBGFK-OAHLLOKOSA-N 2 1 304.434 2.565 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000274301799 426738747 /nfs/dbraw/zinc/73/87/47/426738747.db2.gz QPAGQAALWPOAAD-WBVHZDCISA-N 2 1 320.477 2.971 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000274301790 426739226 /nfs/dbraw/zinc/73/92/26/426739226.db2.gz QPAGQAALWPOAAD-DOTOQJQBSA-N 2 1 320.477 2.971 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000290343646 426745544 /nfs/dbraw/zinc/74/55/44/426745544.db2.gz FPIMDPQJBBLTEF-WOJBJXKFSA-N 2 1 324.472 2.848 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1c(F)cccc1F ZINC000266602305 426747444 /nfs/dbraw/zinc/74/74/44/426747444.db2.gz RHPSTAXUYRIILT-CZUORRHYSA-N 2 1 312.404 2.804 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cn3cc(Cl)ccc3n2)C1 ZINC000266623561 426752940 /nfs/dbraw/zinc/75/29/40/426752940.db2.gz MFXNTMSHOCXIQT-CYBMUJFWSA-N 2 1 306.841 2.761 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](C)CCCn1ccnc1C ZINC000290417785 426760313 /nfs/dbraw/zinc/76/03/13/426760313.db2.gz KMVJOLKKUVFRCW-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000290417785 426760319 /nfs/dbraw/zinc/76/03/19/426760319.db2.gz KMVJOLKKUVFRCW-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cncc(Br)c2)C1 ZINC000290427376 426762886 /nfs/dbraw/zinc/76/28/86/426762886.db2.gz LDOSPCYMSUJMTP-HIFRSBDPSA-N 2 1 324.266 2.760 20 0 DFADMP COc1cccc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000179176190 426765031 /nfs/dbraw/zinc/76/50/31/426765031.db2.gz NHECKXROPHMXKJ-RHSMWYFYSA-N 2 1 301.434 2.539 20 0 DFADMP CC[C@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245708968 426765852 /nfs/dbraw/zinc/76/58/52/426765852.db2.gz MZDPGYLUUBRRIW-AKHDSKFASA-N 2 1 302.462 2.933 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000179605950 426806009 /nfs/dbraw/zinc/80/60/09/426806009.db2.gz WUEUSKVVFMCEEO-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000179605950 426806016 /nfs/dbraw/zinc/80/60/16/426806016.db2.gz WUEUSKVVFMCEEO-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290618738 426806948 /nfs/dbraw/zinc/80/69/48/426806948.db2.gz XBEDDLFFYSGFNX-MRXNPFEDSA-N 2 1 318.461 2.868 20 0 DFADMP Cn1cc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)cn1 ZINC000266990868 426808995 /nfs/dbraw/zinc/80/89/95/426808995.db2.gz XTUSVDCUTUQTSD-UHFFFAOYSA-N 2 1 314.477 2.710 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccccc2)n1 ZINC000179734493 426814804 /nfs/dbraw/zinc/81/48/04/426814804.db2.gz HJCMTYNUYNEIGX-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(-c2ccccc2)n1 ZINC000179734493 426814808 /nfs/dbraw/zinc/81/48/08/426814808.db2.gz HJCMTYNUYNEIGX-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000179734493 426814811 /nfs/dbraw/zinc/81/48/11/426814811.db2.gz HJCMTYNUYNEIGX-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000179734493 426814816 /nfs/dbraw/zinc/81/48/16/426814816.db2.gz HJCMTYNUYNEIGX-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000274679660 426817057 /nfs/dbraw/zinc/81/70/57/426817057.db2.gz ZWTNJIYPFSFPEV-IDCBKMMBSA-N 2 1 302.462 2.956 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000274679660 426817062 /nfs/dbraw/zinc/81/70/62/426817062.db2.gz ZWTNJIYPFSFPEV-IDCBKMMBSA-N 2 1 302.462 2.956 20 0 DFADMP CC1CCC(O)(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246279260 426817434 /nfs/dbraw/zinc/81/74/34/426817434.db2.gz AUZXHZISHRXRIC-TXLGJMDYSA-N 2 1 306.494 2.876 20 0 DFADMP CC1CCC(O)(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246279260 426817440 /nfs/dbraw/zinc/81/74/40/426817440.db2.gz AUZXHZISHRXRIC-TXLGJMDYSA-N 2 1 306.494 2.876 20 0 DFADMP CC1CCC(O)(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246279260 426817445 /nfs/dbraw/zinc/81/74/45/426817445.db2.gz AUZXHZISHRXRIC-TXLGJMDYSA-N 2 1 306.494 2.876 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000189204927 426827870 /nfs/dbraw/zinc/82/78/70/426827870.db2.gz YQMZBXABJRNXKC-QGZVFWFLSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189204927 426827875 /nfs/dbraw/zinc/82/78/75/426827875.db2.gz YQMZBXABJRNXKC-QGZVFWFLSA-N 2 1 310.482 2.916 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000274790023 426838397 /nfs/dbraw/zinc/83/83/97/426838397.db2.gz NRMGJRXSAGHVKP-MLGOLLRUSA-N 2 1 314.832 2.786 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCC[NH+](C)C1 ZINC000274790023 426838401 /nfs/dbraw/zinc/83/84/01/426838401.db2.gz NRMGJRXSAGHVKP-MLGOLLRUSA-N 2 1 314.832 2.786 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCC[N@H+](C)C1 ZINC000274790023 426838404 /nfs/dbraw/zinc/83/84/04/426838404.db2.gz NRMGJRXSAGHVKP-MLGOLLRUSA-N 2 1 314.832 2.786 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(F)cc1Cl)C[C@@H]1CCC[N@@H+](C)C1 ZINC000274790023 426838407 /nfs/dbraw/zinc/83/84/07/426838407.db2.gz NRMGJRXSAGHVKP-MLGOLLRUSA-N 2 1 314.832 2.786 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282218635 426855224 /nfs/dbraw/zinc/85/52/24/426855224.db2.gz JZRYCUKDIWLFSH-UHFFFAOYSA-N 2 1 315.446 2.833 20 0 DFADMP CC[C@](C)(O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310024967 426918224 /nfs/dbraw/zinc/91/82/24/426918224.db2.gz UFRHMTBWXGVTOG-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310024967 426918231 /nfs/dbraw/zinc/91/82/31/426918231.db2.gz UFRHMTBWXGVTOG-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310024967 426918237 /nfs/dbraw/zinc/91/82/37/426918237.db2.gz UFRHMTBWXGVTOG-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246734073 426860765 /nfs/dbraw/zinc/86/07/65/426860765.db2.gz OXVBAWACOXRAQW-YJBOKZPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246734073 426860767 /nfs/dbraw/zinc/86/07/67/426860767.db2.gz OXVBAWACOXRAQW-YJBOKZPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246734073 426860775 /nfs/dbraw/zinc/86/07/75/426860775.db2.gz OXVBAWACOXRAQW-YJBOKZPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282276548 426869689 /nfs/dbraw/zinc/86/96/89/426869689.db2.gz PCZGNRHNXLQAOX-CYBMUJFWSA-N 2 1 304.463 2.580 20 0 DFADMP CN1CCC([N@@H+](CCO)[C@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189502470 426870205 /nfs/dbraw/zinc/87/02/05/426870205.db2.gz HHAJNPGACOIQND-PMACEKPBSA-N 2 1 316.489 2.885 20 0 DFADMP CN1CCC([N@@H+](CCO)[C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000189502492 426870547 /nfs/dbraw/zinc/87/05/47/426870547.db2.gz HHAJNPGACOIQND-VQTJNVASSA-N 2 1 316.489 2.885 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000246859857 426872667 /nfs/dbraw/zinc/87/26/67/426872667.db2.gz FNUFIDOCCURUKA-ZFWWWQNUSA-N 2 1 322.449 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)c(OC)c2)[C@@H](C)C1 ZINC000246859857 426872671 /nfs/dbraw/zinc/87/26/71/426872671.db2.gz FNUFIDOCCURUKA-ZFWWWQNUSA-N 2 1 322.449 2.532 20 0 DFADMP C[C@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000295259782 426879821 /nfs/dbraw/zinc/87/98/21/426879821.db2.gz XXRIULPZPLSGEU-SFHVURJKSA-N 2 1 315.505 2.925 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246956302 426884203 /nfs/dbraw/zinc/88/42/03/426884203.db2.gz IOQJAYNNKZPYBS-QFBILLFUSA-N 2 1 320.477 2.922 20 0 DFADMP C[C@@H](O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000180860542 426893008 /nfs/dbraw/zinc/89/30/08/426893008.db2.gz SNDOTZHFKIXGND-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H](O)[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000180860542 426893016 /nfs/dbraw/zinc/89/30/16/426893016.db2.gz SNDOTZHFKIXGND-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H](O)[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000180860542 426893023 /nfs/dbraw/zinc/89/30/23/426893023.db2.gz SNDOTZHFKIXGND-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1sccc1CN(C)C ZINC000268042583 426898406 /nfs/dbraw/zinc/89/84/06/426898406.db2.gz QMRVSRXRKDCGEF-KBPBESRZSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1sccc1C[NH+](C)C ZINC000268042583 426898414 /nfs/dbraw/zinc/89/84/14/426898414.db2.gz QMRVSRXRKDCGEF-KBPBESRZSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247112553 426903477 /nfs/dbraw/zinc/90/34/77/426903477.db2.gz TYOPSGNJAWNZRL-KONPQCLYSA-N 2 1 301.478 2.756 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000275710854 426903614 /nfs/dbraw/zinc/90/36/14/426903614.db2.gz MCJIDUCRCRHLJV-APWZRJJASA-N 2 1 319.468 2.641 20 0 DFADMP Cc1ccc(OC[C@@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000247513371 426947917 /nfs/dbraw/zinc/94/79/17/426947917.db2.gz MTCXOVKWVWIHHE-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000247513371 426947920 /nfs/dbraw/zinc/94/79/20/426947920.db2.gz MTCXOVKWVWIHHE-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000247513371 426947927 /nfs/dbraw/zinc/94/79/27/426947927.db2.gz MTCXOVKWVWIHHE-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000247513371 426947931 /nfs/dbraw/zinc/94/79/31/426947931.db2.gz MTCXOVKWVWIHHE-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP CCC[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295418326 426951595 /nfs/dbraw/zinc/95/15/95/426951595.db2.gz XXZKJIUYAPFNAY-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295418326 426951601 /nfs/dbraw/zinc/95/16/01/426951601.db2.gz XXZKJIUYAPFNAY-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295418326 426951610 /nfs/dbraw/zinc/95/16/10/426951610.db2.gz XXZKJIUYAPFNAY-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295418322 426952109 /nfs/dbraw/zinc/95/21/09/426952109.db2.gz XXZKJIUYAPFNAY-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295418322 426952112 /nfs/dbraw/zinc/95/21/12/426952112.db2.gz XXZKJIUYAPFNAY-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295418322 426952116 /nfs/dbraw/zinc/95/21/16/426952116.db2.gz XXZKJIUYAPFNAY-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)O[C@@H](C)C2 ZINC000316996998 426952355 /nfs/dbraw/zinc/95/23/55/426952355.db2.gz MSDRFCLHNSVMQP-MJBXVCDLSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)O[C@@H](C)C2 ZINC000316996998 426952357 /nfs/dbraw/zinc/95/23/57/426952357.db2.gz MSDRFCLHNSVMQP-MJBXVCDLSA-N 2 1 304.434 2.578 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337758771 426956832 /nfs/dbraw/zinc/95/68/32/426956832.db2.gz NOGYYKGKIVAQHP-VDZJLULYSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337758771 426956839 /nfs/dbraw/zinc/95/68/39/426956839.db2.gz NOGYYKGKIVAQHP-VDZJLULYSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000181591077 426967089 /nfs/dbraw/zinc/96/70/89/426967089.db2.gz NILDMHVDBZYGHQ-TXPKVOOTSA-N 2 1 316.493 2.679 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000181591077 426967097 /nfs/dbraw/zinc/96/70/97/426967097.db2.gz NILDMHVDBZYGHQ-TXPKVOOTSA-N 2 1 316.493 2.679 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967185 426971460 /nfs/dbraw/zinc/97/14/60/426971460.db2.gz IGRSHESXTVRDGE-WBAXXEDZSA-N 2 1 307.457 2.748 20 0 DFADMP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1)C1CCCC1 ZINC000275877205 426940123 /nfs/dbraw/zinc/94/01/23/426940123.db2.gz ORKFFRZDHNSVBD-QGZVFWFLSA-N 2 1 314.433 2.871 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000316198876 426944069 /nfs/dbraw/zinc/94/40/69/426944069.db2.gz PEYLDEWWXWFIFF-HZPDHXFCSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000316198876 426944076 /nfs/dbraw/zinc/94/40/76/426944076.db2.gz PEYLDEWWXWFIFF-HZPDHXFCSA-N 2 1 304.434 2.538 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292007596 427057252 /nfs/dbraw/zinc/05/72/52/427057252.db2.gz XPSKKISTCDXOAB-IBGZPJMESA-N 2 1 313.445 2.509 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000292007596 427057262 /nfs/dbraw/zinc/05/72/62/427057262.db2.gz XPSKKISTCDXOAB-IBGZPJMESA-N 2 1 313.445 2.509 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000328792009 426997879 /nfs/dbraw/zinc/99/78/79/426997879.db2.gz RFDTXIIOURXVFN-LSDHHAIUSA-N 2 1 304.438 2.728 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000276205151 427006743 /nfs/dbraw/zinc/00/67/43/427006743.db2.gz JXGMSQLNSYUEMF-ZBFHGGJFSA-N 2 1 312.404 2.768 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000276205151 427006746 /nfs/dbraw/zinc/00/67/46/427006746.db2.gz JXGMSQLNSYUEMF-ZBFHGGJFSA-N 2 1 312.404 2.768 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283408917 427010139 /nfs/dbraw/zinc/01/01/39/427010139.db2.gz QVESUJLQOLCCSX-MNEFBYGVSA-N 2 1 302.462 2.879 20 0 DFADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248553647 427013387 /nfs/dbraw/zinc/01/33/87/427013387.db2.gz HMFHDOJPXZBETO-QTLCSOKXSA-N 2 1 314.473 2.887 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)CCc1ccccc1 ZINC000248574106 427015793 /nfs/dbraw/zinc/01/57/93/427015793.db2.gz MXAVQSKWJKYEJR-OALUTQOASA-N 2 1 304.478 2.786 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)CCc1ccccc1 ZINC000248574106 427015797 /nfs/dbraw/zinc/01/57/97/427015797.db2.gz MXAVQSKWJKYEJR-OALUTQOASA-N 2 1 304.478 2.786 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)CCc1ccccc1 ZINC000248574106 427015805 /nfs/dbraw/zinc/01/58/05/427015805.db2.gz MXAVQSKWJKYEJR-OALUTQOASA-N 2 1 304.478 2.786 20 0 DFADMP CCn1cc(CC[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000276278017 427025127 /nfs/dbraw/zinc/02/51/27/427025127.db2.gz FHYLHCKNUHUWGS-MRXNPFEDSA-N 2 1 313.449 2.583 20 0 DFADMP CCn1cc(CC[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000276278017 427025134 /nfs/dbraw/zinc/02/51/34/427025134.db2.gz FHYLHCKNUHUWGS-MRXNPFEDSA-N 2 1 313.449 2.583 20 0 DFADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000248661479 427029315 /nfs/dbraw/zinc/02/93/15/427029315.db2.gz FOCMSYFSWDEGML-KGLIPLIRSA-N 2 1 317.408 2.574 20 0 DFADMP CCC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)[NH+](C)C ZINC000337903487 427029480 /nfs/dbraw/zinc/02/94/80/427029480.db2.gz LAVNVRMKBZHLEY-HOTGVXAUSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)c1 ZINC000248708824 427035454 /nfs/dbraw/zinc/03/54/54/427035454.db2.gz IMYKNRXMWCRKBQ-ZYSHUDEJSA-N 2 1 317.477 2.809 20 0 DFADMP CN(C)c1ncccc1O[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000295998221 427040443 /nfs/dbraw/zinc/04/04/43/427040443.db2.gz PONZLLAYPBCQFV-CYBMUJFWSA-N 2 1 311.376 2.646 20 0 DFADMP COc1cc(C)c(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000337947396 427054762 /nfs/dbraw/zinc/05/47/62/427054762.db2.gz STZUJOBUOOODEH-UHFFFAOYSA-N 2 1 303.406 2.697 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000296074753 427066706 /nfs/dbraw/zinc/06/67/06/427066706.db2.gz WWPHYSCSCLFWQY-OHRKKDJYSA-N 2 1 304.434 2.980 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@H](C)[NH3+])c2C1 ZINC000249034106 427076798 /nfs/dbraw/zinc/07/67/98/427076798.db2.gz MJODTFRUUVSERK-KBPBESRZSA-N 2 1 303.450 2.970 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292108583 427091779 /nfs/dbraw/zinc/09/17/79/427091779.db2.gz IUBSUJLEQQANKN-KRWDZBQOSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292108583 427091786 /nfs/dbraw/zinc/09/17/86/427091786.db2.gz IUBSUJLEQQANKN-KRWDZBQOSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292108583 427091792 /nfs/dbraw/zinc/09/17/92/427091792.db2.gz IUBSUJLEQQANKN-KRWDZBQOSA-N 2 1 321.852 2.696 20 0 DFADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1)[C@H](C)[NH3+] ZINC000249137514 427092653 /nfs/dbraw/zinc/09/26/53/427092653.db2.gz YYEWCFHKQHCRAP-OAGGEKHMSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268704369 427097180 /nfs/dbraw/zinc/09/71/80/427097180.db2.gz AXWJUHJRMZHRHS-IEBWSBKVSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268704369 427097181 /nfs/dbraw/zinc/09/71/81/427097181.db2.gz AXWJUHJRMZHRHS-IEBWSBKVSA-N 2 1 312.461 2.916 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)[C@@H](C)C1 ZINC000249204571 427097482 /nfs/dbraw/zinc/09/74/82/427097482.db2.gz VICXKZDIFXXNMO-ZFWWWQNUSA-N 2 1 321.431 2.581 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000268765805 427109620 /nfs/dbraw/zinc/10/96/20/427109620.db2.gz JCQFWHBJUZPDNR-JQFCIGGWSA-N 2 1 313.445 2.849 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000338046836 427110699 /nfs/dbraw/zinc/11/06/99/427110699.db2.gz LNRWEJUEUQZZMR-ZKZVPCBQSA-N 2 1 323.525 2.730 20 0 DFADMP C[C@H]1CSCC[NH+](CCC[N@@H+]2CCSC[C@H](C)C2)C1 ZINC000190454094 427112873 /nfs/dbraw/zinc/11/28/73/427112873.db2.gz SMEHGVYHOVCUQH-HUUCEWRRSA-N 2 1 302.553 2.746 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)C ZINC000268792152 427118870 /nfs/dbraw/zinc/11/88/70/427118870.db2.gz DJBHSLHAAZJYEP-SFHVURJKSA-N 2 1 317.477 2.598 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H](C)c2cc(F)cc(F)c2)CC1 ZINC000296268304 427130100 /nfs/dbraw/zinc/13/01/00/427130100.db2.gz DOBIACMGIPRTPS-ZDUSSCGKSA-N 2 1 312.404 2.769 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc3c[nH+]cn3c2)c1 ZINC000284057555 427124906 /nfs/dbraw/zinc/12/49/06/427124906.db2.gz UUSJKFLJIJVZIM-UHFFFAOYSA-N 2 1 322.412 2.716 20 0 DFADMP COC[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268815028 427125356 /nfs/dbraw/zinc/12/53/56/427125356.db2.gz PJRDVDAIDVWQPI-OAHLLOKOSA-N 2 1 308.441 2.705 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000268825964 427131008 /nfs/dbraw/zinc/13/10/08/427131008.db2.gz QUXJTZVEAJWVHB-HNNXBMFYSA-N 2 1 309.417 2.787 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190512356 427131574 /nfs/dbraw/zinc/13/15/74/427131574.db2.gz JFQLCVHZNQDDCN-CQSZACIVSA-N 2 1 307.413 2.548 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190512356 427131579 /nfs/dbraw/zinc/13/15/79/427131579.db2.gz JFQLCVHZNQDDCN-CQSZACIVSA-N 2 1 307.413 2.548 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000268876762 427137667 /nfs/dbraw/zinc/13/76/67/427137667.db2.gz IYVWDGMMYJXDNR-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268876762 427137673 /nfs/dbraw/zinc/13/76/73/427137673.db2.gz IYVWDGMMYJXDNR-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268876762 427137679 /nfs/dbraw/zinc/13/76/79/427137679.db2.gz IYVWDGMMYJXDNR-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C(=O)NC[C@H](c1cccs1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249737855 427142451 /nfs/dbraw/zinc/14/24/51/427142451.db2.gz HASIXLBVKBBKJG-LXTVHRRPSA-N 2 1 323.506 2.728 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000296355199 427156314 /nfs/dbraw/zinc/15/63/14/427156314.db2.gz JDHAURWLLHYENH-OAHLLOKOSA-N 2 1 305.466 2.531 20 0 DFADMP CC(C)[NH+]1CCC(N2CCN(c3cc[nH+]cc3Cl)CC2)CC1 ZINC000269306436 427166109 /nfs/dbraw/zinc/16/61/09/427166109.db2.gz DWZPKIIMCFFPIP-UHFFFAOYSA-N 2 1 322.884 2.730 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000237518458 271249571 /nfs/dbraw/zinc/24/95/71/271249571.db2.gz DSVUUIFSSGWBLM-HNNXBMFYSA-N 2 1 317.477 2.662 20 0 DFADMP C[C@@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000266137180 271284466 /nfs/dbraw/zinc/28/44/66/271284466.db2.gz FUSSOBSZKFFIIC-LJQANCHMSA-N 2 1 314.429 2.741 20 0 DFADMP CCCc1cc(N2CC[N@@H+](CCO)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000302409800 271362706 /nfs/dbraw/zinc/36/27/06/271362706.db2.gz LIKGNRPBHDSKTO-HNNXBMFYSA-N 2 1 313.445 2.690 20 0 DFADMP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+](C)Cc1ccccc1 ZINC000304085460 271367583 /nfs/dbraw/zinc/36/75/83/271367583.db2.gz ZSRUPJPTVFNOTA-MRXNPFEDSA-N 2 1 302.466 2.763 20 0 DFADMP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+](C)Cc1ccccc1 ZINC000304085460 271367586 /nfs/dbraw/zinc/36/75/86/271367586.db2.gz ZSRUPJPTVFNOTA-MRXNPFEDSA-N 2 1 302.466 2.763 20 0 DFADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000284288138 427175761 /nfs/dbraw/zinc/17/57/61/427175761.db2.gz KCIULMSDAZVMAS-RYUDHWBXSA-N 2 1 309.841 2.879 20 0 DFADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000284288138 427175766 /nfs/dbraw/zinc/17/57/66/427175766.db2.gz KCIULMSDAZVMAS-RYUDHWBXSA-N 2 1 309.841 2.879 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cn1 ZINC000190800261 427180321 /nfs/dbraw/zinc/18/03/21/427180321.db2.gz FHCIFXWIGKMIQU-MRXNPFEDSA-N 2 1 304.482 2.749 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]C[C@H](C)c1cc(F)cc(F)c1 ZINC000296465979 427190372 /nfs/dbraw/zinc/19/03/72/427190372.db2.gz OZYMMRIOGFGMQZ-ZDUSSCGKSA-N 2 1 300.393 2.626 20 0 DFADMP CC1=CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CC1 ZINC000285423662 427228174 /nfs/dbraw/zinc/22/81/74/427228174.db2.gz YHHVKGYZLBYCRP-RBUKOAKNSA-N 2 1 300.446 2.842 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285473898 427243456 /nfs/dbraw/zinc/24/34/56/427243456.db2.gz KTNQHGSTMXRQOU-YIONKMFJSA-N 2 1 319.424 2.711 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285473898 427243463 /nfs/dbraw/zinc/24/34/63/427243463.db2.gz KTNQHGSTMXRQOU-YIONKMFJSA-N 2 1 319.424 2.711 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285473898 427243466 /nfs/dbraw/zinc/24/34/66/427243466.db2.gz KTNQHGSTMXRQOU-YIONKMFJSA-N 2 1 319.424 2.711 20 0 DFADMP FC(F)COCCN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285478105 427243871 /nfs/dbraw/zinc/24/38/71/427243871.db2.gz HXMZTIVMVGSJLM-GOSISDBHSA-N 2 1 324.415 2.866 20 0 DFADMP FC(F)COCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285478105 427243876 /nfs/dbraw/zinc/24/38/76/427243876.db2.gz HXMZTIVMVGSJLM-GOSISDBHSA-N 2 1 324.415 2.866 20 0 DFADMP FC(F)COCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285478105 427243882 /nfs/dbraw/zinc/24/38/82/427243882.db2.gz HXMZTIVMVGSJLM-GOSISDBHSA-N 2 1 324.415 2.866 20 0 DFADMP FC(F)COCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285478105 427243885 /nfs/dbraw/zinc/24/38/85/427243885.db2.gz HXMZTIVMVGSJLM-GOSISDBHSA-N 2 1 324.415 2.866 20 0 DFADMP FC(F)COCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285478105 427243891 /nfs/dbraw/zinc/24/38/91/427243891.db2.gz HXMZTIVMVGSJLM-GOSISDBHSA-N 2 1 324.415 2.866 20 0 DFADMP Cc1ccc2c(c1)C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000337354000 271502941 /nfs/dbraw/zinc/50/29/41/271502941.db2.gz ARTQWLZRBJIYHP-UHFFFAOYSA-N 2 1 301.478 2.727 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCO[C@H]2CCCCO2)C1 ZINC000338318748 427256141 /nfs/dbraw/zinc/25/61/41/427256141.db2.gz RIDGJHWSNVNZTE-ROUUACIJSA-N 2 1 310.482 2.583 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338318748 427256148 /nfs/dbraw/zinc/25/61/48/427256148.db2.gz RIDGJHWSNVNZTE-ROUUACIJSA-N 2 1 310.482 2.583 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338318748 427256154 /nfs/dbraw/zinc/25/61/54/427256154.db2.gz RIDGJHWSNVNZTE-ROUUACIJSA-N 2 1 310.482 2.583 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000183382310 427256720 /nfs/dbraw/zinc/25/67/20/427256720.db2.gz SQYXLLFWPFCFES-OAHLLOKOSA-N 2 1 321.431 2.723 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000183382310 427256726 /nfs/dbraw/zinc/25/67/26/427256726.db2.gz SQYXLLFWPFCFES-OAHLLOKOSA-N 2 1 321.431 2.723 20 0 DFADMP CCCc1cc(NC[C@@H]2C[N@@H+](C)CCN2C)c2ccccc2[nH+]1 ZINC000269719491 427260969 /nfs/dbraw/zinc/26/09/69/427260969.db2.gz BKYPSCIIYVYDRV-MRXNPFEDSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1cc(NC[C@@H]2CN(C)CC[N@@H+]2C)c2ccccc2[nH+]1 ZINC000269719491 427260978 /nfs/dbraw/zinc/26/09/78/427260978.db2.gz BKYPSCIIYVYDRV-MRXNPFEDSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1cc(NC[C@@H]2CN(C)CC[N@H+]2C)c2ccccc2[nH+]1 ZINC000269719491 427260982 /nfs/dbraw/zinc/26/09/82/427260982.db2.gz BKYPSCIIYVYDRV-MRXNPFEDSA-N 2 1 312.461 2.845 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](Nc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000277616543 427261965 /nfs/dbraw/zinc/26/19/65/427261965.db2.gz BJWSLLYQAPQVRF-KRWDZBQOSA-N 2 1 323.444 2.763 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc3cc[nH]c32)CCCO1 ZINC000277646326 427271492 /nfs/dbraw/zinc/27/14/92/427271492.db2.gz DGSJYUWZZQHFRH-HNNXBMFYSA-N 2 1 301.434 2.758 20 0 DFADMP C[C@@H]1C[N@@H+](CCCNCc2cc(F)c(F)c(F)c2)CCCO1 ZINC000277658225 427274264 /nfs/dbraw/zinc/27/42/64/427274264.db2.gz FFLPHZIZUCDRHC-GFCCVEGCSA-N 2 1 316.367 2.694 20 0 DFADMP C[C@@H]1CN(CCC[NH2+]Cc2cc(F)c(F)c(F)c2)CCCO1 ZINC000277658225 427274267 /nfs/dbraw/zinc/27/42/67/427274267.db2.gz FFLPHZIZUCDRHC-GFCCVEGCSA-N 2 1 316.367 2.694 20 0 DFADMP Cc1c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cnn1C(C)C ZINC000191278129 427305730 /nfs/dbraw/zinc/30/57/30/427305730.db2.gz ROIPKKOGENQMRK-DOTOQJQBSA-N 2 1 322.497 2.660 20 0 DFADMP CC(C)N(C)c1ccc(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000191301824 427314149 /nfs/dbraw/zinc/31/41/49/427314149.db2.gz FJEMIRYUWCPQBS-HOCLYGCPSA-N 2 1 302.466 2.641 20 0 DFADMP CC(C)N(C)c1ccc(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000191301824 427314157 /nfs/dbraw/zinc/31/41/57/427314157.db2.gz FJEMIRYUWCPQBS-HOCLYGCPSA-N 2 1 302.466 2.641 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262146008 427352890 /nfs/dbraw/zinc/35/28/90/427352890.db2.gz MWCRDRKSUBWGPR-TVFCKZIOSA-N 2 1 321.509 2.535 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338686305 271575812 /nfs/dbraw/zinc/57/58/12/271575812.db2.gz FLHKZDDHPZDCPF-ZYSHUDEJSA-N 2 1 302.462 2.615 20 0 DFADMP Fc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CCOCC2)cc1 ZINC000262018851 427346367 /nfs/dbraw/zinc/34/63/67/427346367.db2.gz VXBZSXHXFYUIEU-MRXNPFEDSA-N 2 1 306.425 2.806 20 0 DFADMP C[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000270417758 427351231 /nfs/dbraw/zinc/35/12/31/427351231.db2.gz FQRHHCFWGJHOSZ-QGZVFWFLSA-N 2 1 322.412 2.635 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(C(F)F)cc1 ZINC000183983765 427371493 /nfs/dbraw/zinc/37/14/93/427371493.db2.gz OFNGCQPXPKINRV-UHFFFAOYSA-N 2 1 311.420 2.694 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000297259403 427376070 /nfs/dbraw/zinc/37/60/70/427376070.db2.gz JWICAZZTSRLHMV-JENIJYKNSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000297259403 427376078 /nfs/dbraw/zinc/37/60/78/427376078.db2.gz JWICAZZTSRLHMV-JENIJYKNSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](NCc1cn(C(C)(C)C)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191580139 427380827 /nfs/dbraw/zinc/38/08/27/427380827.db2.gz YBPXBIDFMASCBY-LSDHHAIUSA-N 2 1 319.497 2.776 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)[C@H](C)c2cccc(O)c2)CC1 ZINC000191572715 427382761 /nfs/dbraw/zinc/38/27/61/427382761.db2.gz JURZQALAFLBCJE-QGZVFWFLSA-N 2 1 319.493 2.801 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293626492 427384174 /nfs/dbraw/zinc/38/41/74/427384174.db2.gz GEKVDGLHCHSTAK-XUJVJEKNSA-N 2 1 315.383 2.961 20 0 DFADMP CC[C@H](c1ccncc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191600888 427384367 /nfs/dbraw/zinc/38/43/67/427384367.db2.gz QEZCWENCEHHHMS-LJQANCHMSA-N 2 1 318.509 2.881 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271046562 427385259 /nfs/dbraw/zinc/38/52/59/427385259.db2.gz RHQKZFMUSOZKLU-UHFFFAOYSA-N 2 1 303.450 2.950 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000271046562 427385268 /nfs/dbraw/zinc/38/52/68/427385268.db2.gz RHQKZFMUSOZKLU-UHFFFAOYSA-N 2 1 303.450 2.950 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cscn1 ZINC000271116573 427408626 /nfs/dbraw/zinc/40/86/26/427408626.db2.gz INJYXGWVTNAHKP-CYBMUJFWSA-N 2 1 305.447 2.934 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)c3cn[nH]c3)CC2)oc1C ZINC000297513908 427410480 /nfs/dbraw/zinc/41/04/80/427410480.db2.gz CSXXJULQUYWXDK-CYBMUJFWSA-N 2 1 317.437 2.577 20 0 DFADMP Cn1cncc1CC[N@H+]1CCCN(c2ccccc2Cl)CC1 ZINC000297611716 427414758 /nfs/dbraw/zinc/41/47/58/427414758.db2.gz KSHGKYIWJZHOEY-UHFFFAOYSA-N 2 1 318.852 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1CO ZINC000191731375 427416174 /nfs/dbraw/zinc/41/61/74/427416174.db2.gz XWSPYRNGABHFAE-AEFFLSMTSA-N 2 1 304.478 2.705 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[NH+](C)C(C)C ZINC000183913323 427355718 /nfs/dbraw/zinc/35/57/18/427355718.db2.gz TYJZKSQRSLIXLI-SFHVURJKSA-N 2 1 319.493 2.599 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cc(C(=O)OC)co1 ZINC000191503782 427363619 /nfs/dbraw/zinc/36/36/19/427363619.db2.gz PUFKXQNTPXFXOK-UHFFFAOYSA-N 2 1 319.405 2.737 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cc(C(=O)OC)co1 ZINC000191503782 427363626 /nfs/dbraw/zinc/36/36/26/427363626.db2.gz PUFKXQNTPXFXOK-UHFFFAOYSA-N 2 1 319.405 2.737 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2CCF)C1 ZINC000285903149 427366796 /nfs/dbraw/zinc/36/67/96/427366796.db2.gz BKIPTAKWOGOBON-KFKAGJAMSA-N 2 1 320.452 2.871 20 0 DFADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278809454 427461412 /nfs/dbraw/zinc/46/14/12/427461412.db2.gz ZHABHYDIHNUZJV-SFHVURJKSA-N 2 1 313.445 2.848 20 0 DFADMP C[N@@H+](CCCNC(=O)C1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000338771049 427477967 /nfs/dbraw/zinc/47/79/67/427477967.db2.gz NGLLQWWLOYCTOD-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCOC2)C3)cc1 ZINC000278157227 427420356 /nfs/dbraw/zinc/42/03/56/427420356.db2.gz BBSYUOVQJXLIJX-MKXGPGLRSA-N 2 1 300.446 2.808 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1O ZINC000297926191 427487103 /nfs/dbraw/zinc/48/71/03/427487103.db2.gz UDKVDJUCDXLLAP-JKSUJKDBSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)ccc1O ZINC000297926191 427487108 /nfs/dbraw/zinc/48/71/08/427487108.db2.gz UDKVDJUCDXLLAP-JKSUJKDBSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1O ZINC000297926191 427487111 /nfs/dbraw/zinc/48/71/11/427487111.db2.gz UDKVDJUCDXLLAP-JKSUJKDBSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)ccc1O ZINC000297926191 427487114 /nfs/dbraw/zinc/48/71/14/427487114.db2.gz UDKVDJUCDXLLAP-JKSUJKDBSA-N 2 1 304.434 2.707 20 0 DFADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000271167083 427429339 /nfs/dbraw/zinc/42/93/39/427429339.db2.gz NVDCLCDWJCAFCW-MRXNPFEDSA-N 2 1 320.477 2.528 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3cc[nH]c32)CC1 ZINC000271170261 427431297 /nfs/dbraw/zinc/43/12/97/427431297.db2.gz PPHMQUOKJKLRIM-HNNXBMFYSA-N 2 1 315.461 2.693 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000263185993 427433093 /nfs/dbraw/zinc/43/30/93/427433093.db2.gz HHHSNKFXVUFTEJ-AYBZRNKSSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338686304 427437713 /nfs/dbraw/zinc/43/77/13/427437713.db2.gz FLHKZDDHPZDCPF-KFKAGJAMSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@@H](CO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000286150678 427438815 /nfs/dbraw/zinc/43/88/15/427438815.db2.gz PJPBJRBHFDTRAX-DSLXNQLJSA-N 2 1 302.462 2.648 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338791006 427491005 /nfs/dbraw/zinc/49/10/05/427491005.db2.gz XUAWEQSGZFPKKP-UHFFFAOYSA-N 2 1 307.526 2.818 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278903427 427491960 /nfs/dbraw/zinc/49/19/60/427491960.db2.gz FZYXROXVKVLXKK-DZGCQCFKSA-N 2 1 312.417 2.755 20 0 DFADMP CC[N@@H+]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338795204 427494869 /nfs/dbraw/zinc/49/48/69/427494869.db2.gz RAQAJNARKJARSN-RRQGHBQHSA-N 2 1 309.885 2.873 20 0 DFADMP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000293956454 427501659 /nfs/dbraw/zinc/50/16/59/427501659.db2.gz ZQTRZRFYQBUZLA-MSOLQXFVSA-N 2 1 302.462 2.708 20 0 DFADMP CN(c1cc[nH+]cc1Br)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286381674 427511690 /nfs/dbraw/zinc/51/16/90/427511690.db2.gz NEHVAOODXGNKAN-FOSCPWQOSA-N 2 1 310.239 2.906 20 0 DFADMP CN(c1cc[nH+]cc1Br)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286381674 427511694 /nfs/dbraw/zinc/51/16/94/427511694.db2.gz NEHVAOODXGNKAN-FOSCPWQOSA-N 2 1 310.239 2.906 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000278955920 427514359 /nfs/dbraw/zinc/51/43/59/427514359.db2.gz LUZMGHTZEHUHMB-KBPBESRZSA-N 2 1 315.417 2.814 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cnn1C(C)C ZINC000278987146 427523840 /nfs/dbraw/zinc/52/38/40/427523840.db2.gz PQWXDCAUDDJORD-ZFWWWQNUSA-N 2 1 301.438 2.882 20 0 DFADMP O[C@H](CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000286433533 427529250 /nfs/dbraw/zinc/52/92/50/427529250.db2.gz NADPJOALKYYBRG-IEBWSBKVSA-N 2 1 302.462 2.918 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192440012 427539758 /nfs/dbraw/zinc/53/97/58/427539758.db2.gz GWEUDVCNGZBADT-DOTOQJQBSA-N 2 1 302.462 2.874 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000271456834 427544086 /nfs/dbraw/zinc/54/40/86/427544086.db2.gz GWCOQPRFNKDVLN-CQDKDKBSSA-N 2 1 314.832 2.832 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000271456834 427544092 /nfs/dbraw/zinc/54/40/92/427544092.db2.gz GWCOQPRFNKDVLN-CQDKDKBSSA-N 2 1 314.832 2.832 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+]([C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456376 427545199 /nfs/dbraw/zinc/54/51/99/427545199.db2.gz VXPDXTPHRFXALH-QYZOEREBSA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+]([C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456376 427545208 /nfs/dbraw/zinc/54/52/08/427545208.db2.gz VXPDXTPHRFXALH-QYZOEREBSA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+]([C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456376 427545212 /nfs/dbraw/zinc/54/52/12/427545212.db2.gz VXPDXTPHRFXALH-QYZOEREBSA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+]([C@H]4CCOC4)CC[C@@H]32)cc1 ZINC000271456376 427545216 /nfs/dbraw/zinc/54/52/16/427545216.db2.gz VXPDXTPHRFXALH-QYZOEREBSA-N 2 1 300.446 2.762 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000286319225 427489138 /nfs/dbraw/zinc/48/91/38/427489138.db2.gz XNXNFJFITAHGGD-AWEZNQCLSA-N 2 1 310.405 2.513 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000271493846 427559588 /nfs/dbraw/zinc/55/95/88/427559588.db2.gz KVLCHBYHUAUBTQ-IGNZVWTISA-N 2 1 324.415 2.993 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271503849 427563486 /nfs/dbraw/zinc/56/34/86/427563486.db2.gz MMDJCSSPYWIWMF-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271503849 427563495 /nfs/dbraw/zinc/56/34/95/427563495.db2.gz MMDJCSSPYWIWMF-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000287300484 427572099 /nfs/dbraw/zinc/57/20/99/427572099.db2.gz DNWFWXCXLPZEOE-NWDGAFQWSA-N 2 1 319.430 2.644 20 0 DFADMP CCCNC(=O)c1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192684212 427585202 /nfs/dbraw/zinc/58/52/02/427585202.db2.gz DAKHJAUHSGYTRE-AYHJJNSGSA-N 2 1 315.461 2.541 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192684212 427585204 /nfs/dbraw/zinc/58/52/04/427585204.db2.gz DAKHJAUHSGYTRE-AYHJJNSGSA-N 2 1 315.461 2.541 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192684212 427585205 /nfs/dbraw/zinc/58/52/05/427585205.db2.gz DAKHJAUHSGYTRE-AYHJJNSGSA-N 2 1 315.461 2.541 20 0 DFADMP CC(C)Oc1ccc([C@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298366322 427586151 /nfs/dbraw/zinc/58/61/51/427586151.db2.gz KIEGVEMGRSDUJJ-LJQANCHMSA-N 2 1 318.461 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000192702918 427591944 /nfs/dbraw/zinc/59/19/44/427591944.db2.gz IAHFVHYKLRCQLC-JFIYKMOQSA-N 2 1 301.478 2.758 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000287405538 427601930 /nfs/dbraw/zinc/60/19/30/427601930.db2.gz JIBVUZSVKWTUMR-GDBMZVCRSA-N 2 1 303.406 2.581 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000287405538 427601937 /nfs/dbraw/zinc/60/19/37/427601937.db2.gz JIBVUZSVKWTUMR-GDBMZVCRSA-N 2 1 303.406 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566179 427641361 /nfs/dbraw/zinc/64/13/61/427641361.db2.gz BLMBBTRRWCEOAC-JLSDUUJJSA-N 2 1 324.896 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566179 427641370 /nfs/dbraw/zinc/64/13/70/427641370.db2.gz BLMBBTRRWCEOAC-JLSDUUJJSA-N 2 1 324.896 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@H](C)C1 ZINC000287566179 427641375 /nfs/dbraw/zinc/64/13/75/427641375.db2.gz BLMBBTRRWCEOAC-JLSDUUJJSA-N 2 1 324.896 2.906 20 0 DFADMP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000287586296 427646880 /nfs/dbraw/zinc/64/68/80/427646880.db2.gz CNXAVUHMNCGZBU-WMZOPIPTSA-N 2 1 322.880 2.661 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583823 427648330 /nfs/dbraw/zinc/64/83/30/427648330.db2.gz CIVPLJVWLVJFDW-MSOLQXFVSA-N 2 1 303.450 2.547 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583823 427648336 /nfs/dbraw/zinc/64/83/36/427648336.db2.gz CIVPLJVWLVJFDW-MSOLQXFVSA-N 2 1 303.450 2.547 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583823 427648346 /nfs/dbraw/zinc/64/83/46/427648346.db2.gz CIVPLJVWLVJFDW-MSOLQXFVSA-N 2 1 303.450 2.547 20 0 DFADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)C(C)C ZINC000264080734 427653011 /nfs/dbraw/zinc/65/30/11/427653011.db2.gz IBMHADWCKZTWOA-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1)C(C)C ZINC000264080734 427653017 /nfs/dbraw/zinc/65/30/17/427653017.db2.gz IBMHADWCKZTWOA-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP Fc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1-n1ccnc1 ZINC000339065001 427657941 /nfs/dbraw/zinc/65/79/41/427657941.db2.gz BDDIECKROPYMTG-CVEARBPZSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1-n1ccnc1 ZINC000339065001 427657949 /nfs/dbraw/zinc/65/79/49/427657949.db2.gz BDDIECKROPYMTG-CVEARBPZSA-N 3 1 314.408 2.728 20 0 DFADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)ccc1-n1ccnc1 ZINC000339065001 427657956 /nfs/dbraw/zinc/65/79/56/427657956.db2.gz BDDIECKROPYMTG-CVEARBPZSA-N 3 1 314.408 2.728 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279406110 427665154 /nfs/dbraw/zinc/66/51/54/427665154.db2.gz DJAGEZWRQGTBMM-INIZCTEOSA-N 2 1 314.832 2.977 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CC1 ZINC000342579521 272027830 /nfs/dbraw/zinc/02/78/30/272027830.db2.gz PJFYMZYZFAVXIN-FQEVSTJZSA-N 2 1 316.489 2.753 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@H]1C ZINC000342691252 272042406 /nfs/dbraw/zinc/04/24/06/272042406.db2.gz CCWQYTZJEVTPQA-YJBOKZPZSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+][C@@H]1C ZINC000342691250 272042537 /nfs/dbraw/zinc/04/25/37/272042537.db2.gz CCWQYTZJEVTPQA-QAPCUYQASA-N 2 1 317.477 2.531 20 0 DFADMP CC[NH+](CC)[C@@H](CN[C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000342944177 272069540 /nfs/dbraw/zinc/06/95/40/272069540.db2.gz IUXKXQYJGLBNMH-UHOSZYNNSA-N 2 1 303.494 2.999 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343109692 272088365 /nfs/dbraw/zinc/08/83/65/272088365.db2.gz QEOROELTEGBRDF-QGZVFWFLSA-N 2 1 308.853 2.764 20 0 DFADMP Fc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000343250502 272104884 /nfs/dbraw/zinc/10/48/84/272104884.db2.gz ZAGAVUOHQQNHJU-RCCFBDPRSA-N 2 1 306.425 2.505 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1c[nH]c2nccnc12 ZINC000295046996 427672681 /nfs/dbraw/zinc/67/26/81/427672681.db2.gz FKHRIOBYUMOVDH-HNNXBMFYSA-N 2 1 301.438 2.558 20 0 DFADMP COC(=O)c1occc1C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000343479583 272156489 /nfs/dbraw/zinc/15/64/89/272156489.db2.gz RGOZYXBNQSEDNM-AWEZNQCLSA-N 2 1 308.422 2.668 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c2ccccc21 ZINC000343503428 272161391 /nfs/dbraw/zinc/16/13/91/272161391.db2.gz BBMSNPOWMDOMEF-FCEWJHQRSA-N 2 1 302.462 2.917 20 0 DFADMP Cc1ccc(CCC[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000343548395 272168065 /nfs/dbraw/zinc/16/80/65/272168065.db2.gz IOIMSKNKEKNWIS-QGZVFWFLSA-N 2 1 304.478 2.705 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000343655845 272195063 /nfs/dbraw/zinc/19/50/63/272195063.db2.gz IPJVUJOWBZQYCJ-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000343655845 272195064 /nfs/dbraw/zinc/19/50/64/272195064.db2.gz IPJVUJOWBZQYCJ-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000343655845 272195065 /nfs/dbraw/zinc/19/50/65/272195065.db2.gz IPJVUJOWBZQYCJ-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1)CCCC2 ZINC000343690143 272201734 /nfs/dbraw/zinc/20/17/34/272201734.db2.gz MRNFJEYVTSHDIJ-PBHICJAKSA-N 2 1 305.466 2.724 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1)CCCC2 ZINC000343690143 272201735 /nfs/dbraw/zinc/20/17/35/272201735.db2.gz MRNFJEYVTSHDIJ-PBHICJAKSA-N 2 1 305.466 2.724 20 0 DFADMP CCc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000343693494 272202927 /nfs/dbraw/zinc/20/29/27/272202927.db2.gz BWXHOWMOLKJKJL-QGZVFWFLSA-N 2 1 315.505 2.849 20 0 DFADMP C[N@@H+](C[C@H](O)C(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000343723944 272208528 /nfs/dbraw/zinc/20/85/28/272208528.db2.gz YAZPTEMXKLAYGY-KRWDZBQOSA-N 2 1 305.466 2.637 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000343753350 272211798 /nfs/dbraw/zinc/21/17/98/272211798.db2.gz SUWMPZBFVUCQCW-INIZCTEOSA-N 2 1 305.466 2.806 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000343820930 272226288 /nfs/dbraw/zinc/22/62/88/272226288.db2.gz IGHVDZRAAGOKEH-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000343820930 272226291 /nfs/dbraw/zinc/22/62/91/272226291.db2.gz IGHVDZRAAGOKEH-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000343923250 272238074 /nfs/dbraw/zinc/23/80/74/272238074.db2.gz GMPVHVVJZGVAIT-JFIYKMOQSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000343923250 272238076 /nfs/dbraw/zinc/23/80/76/272238076.db2.gz GMPVHVVJZGVAIT-JFIYKMOQSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000343923250 272238079 /nfs/dbraw/zinc/23/80/79/272238079.db2.gz GMPVHVVJZGVAIT-JFIYKMOQSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000343923250 272238082 /nfs/dbraw/zinc/23/80/82/272238082.db2.gz GMPVHVVJZGVAIT-JFIYKMOQSA-N 2 1 301.478 2.722 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1CCc2ccccc2C1)CC[NH+](C)C ZINC000344024352 272250687 /nfs/dbraw/zinc/25/06/87/272250687.db2.gz HZYAYNBBUBFDNR-GOSISDBHSA-N 2 1 317.521 2.607 20 0 DFADMP CSc1ccccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344027289 272251378 /nfs/dbraw/zinc/25/13/78/272251378.db2.gz KWKQDSMWJBIHJI-UHFFFAOYSA-N 2 1 309.523 2.724 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@@H](C)[C@@H]1OC ZINC000344156572 272276191 /nfs/dbraw/zinc/27/61/91/272276191.db2.gz AGUFULNLYPVYPZ-OAGGEKHMSA-N 2 1 312.498 2.527 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344219773 272289928 /nfs/dbraw/zinc/28/99/28/272289928.db2.gz ZNLAUDGITTXZKA-YYIAUSFCSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000344219773 272289931 /nfs/dbraw/zinc/28/99/31/272289931.db2.gz ZNLAUDGITTXZKA-YYIAUSFCSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000344219773 272289933 /nfs/dbraw/zinc/28/99/33/272289933.db2.gz ZNLAUDGITTXZKA-YYIAUSFCSA-N 2 1 323.525 2.589 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000344248412 272296797 /nfs/dbraw/zinc/29/67/97/272296797.db2.gz LDFCBJQUYJOXDY-NBOOPKSLSA-N 2 1 318.465 2.510 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000344278131 272303419 /nfs/dbraw/zinc/30/34/19/272303419.db2.gz XBYXBEBOHFIPCO-RWQQGDIJSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000344278131 272303420 /nfs/dbraw/zinc/30/34/20/272303420.db2.gz XBYXBEBOHFIPCO-RWQQGDIJSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000344278131 272303421 /nfs/dbraw/zinc/30/34/21/272303421.db2.gz XBYXBEBOHFIPCO-RWQQGDIJSA-N 2 1 301.478 2.752 20 0 DFADMP Cn1c2c(nc1[C@@H]1CCCN1CC[C@@H]1CCC[N@H+]1C)CCCC2 ZINC000344362676 272320764 /nfs/dbraw/zinc/32/07/64/272320764.db2.gz IQHJKDQPEGEBRO-YJBOKZPZSA-N 2 1 316.493 2.920 20 0 DFADMP CC1(C)[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[C@@H]1O ZINC000193313613 427683844 /nfs/dbraw/zinc/68/38/44/427683844.db2.gz MCBIZNMAKSZKKG-TZOQOTQKSA-N 2 1 314.473 2.931 20 0 DFADMP C[C@H](CCCCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000272260923 427687484 /nfs/dbraw/zinc/68/74/84/427687484.db2.gz KCIXGGUKVQKNIR-QGZVFWFLSA-N 2 1 304.478 2.834 20 0 DFADMP CCn1nccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272257376 427688998 /nfs/dbraw/zinc/68/89/98/427688998.db2.gz ZJMUNZNKVKEIRR-WMZOPIPTSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272257376 427689002 /nfs/dbraw/zinc/68/90/02/427689002.db2.gz ZJMUNZNKVKEIRR-WMZOPIPTSA-N 2 1 312.461 2.903 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)C12CCOCC2 ZINC000333854557 427699523 /nfs/dbraw/zinc/69/95/23/427699523.db2.gz QQARBIBRVMTWSV-VSZNYVQBSA-N 2 1 316.445 2.695 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295128539 427704262 /nfs/dbraw/zinc/70/42/62/427704262.db2.gz XPWWBZGEMUTXHA-OQIJWPOYSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000295128539 427704267 /nfs/dbraw/zinc/70/42/67/427704267.db2.gz XPWWBZGEMUTXHA-OQIJWPOYSA-N 2 1 302.462 2.790 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000336852723 427759484 /nfs/dbraw/zinc/75/94/84/427759484.db2.gz XBJMUYCRAWNUSN-CYBMUJFWSA-N 2 1 320.462 2.792 20 0 DFADMP Cc1cnc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)s1 ZINC000336858491 427762948 /nfs/dbraw/zinc/76/29/48/427762948.db2.gz ZGTBUVAIBGEXGZ-UHFFFAOYSA-N 2 1 319.478 2.559 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCCC[N@@H+]3C[C@H]2C)c1C ZINC000336857953 427763066 /nfs/dbraw/zinc/76/30/66/427763066.db2.gz WEYWERKWBOKLRT-ZBFHGGJFSA-N 2 1 303.450 2.766 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3CCCC[N@H+]3C[C@H]2C)c1C ZINC000336857953 427763067 /nfs/dbraw/zinc/76/30/67/427763067.db2.gz WEYWERKWBOKLRT-ZBFHGGJFSA-N 2 1 303.450 2.766 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCO)[C@H]1CCCc2ccccc21 ZINC000336858181 427763132 /nfs/dbraw/zinc/76/31/32/427763132.db2.gz XLQRXABGSQMXMT-MJGOQNOKSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000336858181 427763134 /nfs/dbraw/zinc/76/31/34/427763134.db2.gz XLQRXABGSQMXMT-MJGOQNOKSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000336858181 427763136 /nfs/dbraw/zinc/76/31/36/427763136.db2.gz XLQRXABGSQMXMT-MJGOQNOKSA-N 2 1 302.462 2.843 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCOC3)CC2)cc1 ZINC000336861639 427764825 /nfs/dbraw/zinc/76/48/25/427764825.db2.gz DHHOVXRXKVAMKW-SFHVURJKSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000336864590 427766157 /nfs/dbraw/zinc/76/61/57/427766157.db2.gz HPVWPYDCPFMNKH-DOTOQJQBSA-N 2 1 309.498 2.665 20 0 DFADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000299624839 427766368 /nfs/dbraw/zinc/76/63/68/427766368.db2.gz RAXOZXQACGCSSH-SFHVURJKSA-N 2 1 317.477 2.621 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@H]21 ZINC000339407911 427768723 /nfs/dbraw/zinc/76/87/23/427768723.db2.gz QDMXKDWHUKXVTQ-RCCFBDPRSA-N 2 1 300.446 2.613 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000339407406 427769564 /nfs/dbraw/zinc/76/95/64/427769564.db2.gz KVNCDHYENRRVJB-QGZVFWFLSA-N 2 1 315.465 2.689 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000339407406 427769569 /nfs/dbraw/zinc/76/95/69/427769569.db2.gz KVNCDHYENRRVJB-QGZVFWFLSA-N 2 1 315.465 2.689 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000336872929 427769833 /nfs/dbraw/zinc/76/98/33/427769833.db2.gz RMWJJOVSZWBBIT-ZWKOTPCHSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000336872929 427769834 /nfs/dbraw/zinc/76/98/34/427769834.db2.gz RMWJJOVSZWBBIT-ZWKOTPCHSA-N 2 1 317.408 2.919 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300415544 427771524 /nfs/dbraw/zinc/77/15/24/427771524.db2.gz VZAOZYOSWOBTEA-XOKHGSTOSA-N 2 1 308.853 2.724 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300415544 427771527 /nfs/dbraw/zinc/77/15/27/427771527.db2.gz VZAOZYOSWOBTEA-XOKHGSTOSA-N 2 1 308.853 2.724 20 0 DFADMP CC[C@H](C(=O)NC[C@@H](C)[NH+](CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000339439044 427775745 /nfs/dbraw/zinc/77/57/45/427775745.db2.gz RFIVRVZKAAWZDZ-SJLPKXTDSA-N 2 1 319.493 2.744 20 0 DFADMP CCCOc1ccc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)cc1OCC ZINC000194543673 427747741 /nfs/dbraw/zinc/74/77/41/427747741.db2.gz GHAUVDPPFQFMFC-CALCHBBNSA-N 2 1 318.461 2.868 20 0 DFADMP CC[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000301410681 427795208 /nfs/dbraw/zinc/79/52/08/427795208.db2.gz OWALKQRGVKQDLB-HZPDHXFCSA-N 2 1 313.445 2.825 20 0 DFADMP CCSc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000339685720 427811093 /nfs/dbraw/zinc/81/10/93/427811093.db2.gz GGZJVCUPCCRCSJ-HOCLYGCPSA-N 2 1 308.491 2.906 20 0 DFADMP CN(C)c1cc[nH+]c(NC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000301664333 427813272 /nfs/dbraw/zinc/81/32/72/427813272.db2.gz NQFFJMBXCBYCTL-UHFFFAOYSA-N 2 1 311.433 2.619 20 0 DFADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000346129001 272574834 /nfs/dbraw/zinc/57/48/34/272574834.db2.gz FJTQHDKTCUCGGC-NZSAHSFTSA-N 2 1 320.477 2.622 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCN(C(=O)C(C)(C)C)CC1 ZINC000337281889 427831303 /nfs/dbraw/zinc/83/13/03/427831303.db2.gz WUIFLWIAJNUAQC-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CC(C)OC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337325029 427847066 /nfs/dbraw/zinc/84/70/66/427847066.db2.gz BQRCQGFCGWACOQ-MJGOQNOKSA-N 2 1 304.478 2.954 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000340439209 427849721 /nfs/dbraw/zinc/84/97/21/427849721.db2.gz HZHNGHJGELCIDC-RBUKOAKNSA-N 2 1 302.462 2.881 20 0 DFADMP Cc1c[nH+]ccc1NCCC[N@@H+]1CCN(C)C[C@@H]1c1ccccc1 ZINC000359440805 427852762 /nfs/dbraw/zinc/85/27/62/427852762.db2.gz SDSQQDXSLQZDLZ-HXUWFJFHSA-N 2 1 324.472 2.603 20 0 DFADMP Cc1c[nH+]ccc1NCCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000359440805 427852766 /nfs/dbraw/zinc/85/27/66/427852766.db2.gz SDSQQDXSLQZDLZ-HXUWFJFHSA-N 2 1 324.472 2.603 20 0 DFADMP Cc1c[nH+]ccc1NCCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000359440805 427852769 /nfs/dbraw/zinc/85/27/69/427852769.db2.gz SDSQQDXSLQZDLZ-HXUWFJFHSA-N 2 1 324.472 2.603 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000337339863 427853491 /nfs/dbraw/zinc/85/34/91/427853491.db2.gz SCLBOMQJBQPDHD-HNNXBMFYSA-N 2 1 314.539 2.829 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000337339863 427853498 /nfs/dbraw/zinc/85/34/98/427853498.db2.gz SCLBOMQJBQPDHD-HNNXBMFYSA-N 2 1 314.539 2.829 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])Cc1ccccc1 ZINC000345693809 427862516 /nfs/dbraw/zinc/86/25/16/427862516.db2.gz OZNSGSGUKAXKRE-HKUYNNGSSA-N 2 1 317.477 2.532 20 0 DFADMP Cc1cc(N(C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc[nH+]1 ZINC000302767198 427866814 /nfs/dbraw/zinc/86/68/14/427866814.db2.gz LWIXJXDKXAHVJN-UHFFFAOYSA-N 2 1 311.433 2.902 20 0 DFADMP C([NH2+][C@H]1CCCC12CCOCC2)C1([NH+]2CCCC2)CCOCC1 ZINC000337389766 427878477 /nfs/dbraw/zinc/87/84/77/427878477.db2.gz MZVPDCPUAOZCDO-KRWDZBQOSA-N 2 1 322.493 2.570 20 0 DFADMP C([NH2+][C@@H]1CCCC12CCOCC2)C1([NH+]2CCCC2)CCOCC1 ZINC000337389767 427878575 /nfs/dbraw/zinc/87/85/75/427878575.db2.gz MZVPDCPUAOZCDO-QGZVFWFLSA-N 2 1 322.493 2.570 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCC1 ZINC000359508805 427881081 /nfs/dbraw/zinc/88/10/81/427881081.db2.gz HMEZHPJQNWPSIE-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000359508805 427881093 /nfs/dbraw/zinc/88/10/93/427881093.db2.gz HMEZHPJQNWPSIE-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000359508805 427881097 /nfs/dbraw/zinc/88/10/97/427881097.db2.gz HMEZHPJQNWPSIE-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000337395217 427883993 /nfs/dbraw/zinc/88/39/93/427883993.db2.gz BNTFZVJPKYTMQB-HNNXBMFYSA-N 2 1 318.461 2.795 20 0 DFADMP CC(C)[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000359519176 427887739 /nfs/dbraw/zinc/88/77/39/427887739.db2.gz RDSOECUCXBNBHO-QZTJIDSGSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409602 427892499 /nfs/dbraw/zinc/89/24/99/427892499.db2.gz WHJBSJKCTIYADP-JKSUJKDBSA-N 2 1 320.477 2.875 20 0 DFADMP CCC[C@H](C)[N@H+](C)C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337413377 427893394 /nfs/dbraw/zinc/89/33/94/427893394.db2.gz MNYHAYVYCOEHOS-SOUVJXGZSA-N 2 1 323.460 2.580 20 0 DFADMP CCC[C@H](C)[N@@H+](C)C[C@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337413377 427893398 /nfs/dbraw/zinc/89/33/98/427893398.db2.gz MNYHAYVYCOEHOS-SOUVJXGZSA-N 2 1 323.460 2.580 20 0 DFADMP CN(C)c1nc(NC2CC[NH+](Cc3ccccc3)CC2)cc[nH+]1 ZINC000303099675 427898026 /nfs/dbraw/zinc/89/80/26/427898026.db2.gz ZAAREJYCJORHHD-UHFFFAOYSA-N 2 1 311.433 2.619 20 0 DFADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345808561 427916117 /nfs/dbraw/zinc/91/61/17/427916117.db2.gz RHEFKGHYQQYUAU-FUHWJXTLSA-N 2 1 319.493 2.599 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C(C)(C)OC)CCCC2)CC1 ZINC000340229248 427959853 /nfs/dbraw/zinc/95/98/53/427959853.db2.gz CSSMHZDUHVUAEO-HNNXBMFYSA-N 2 1 312.498 2.813 20 0 DFADMP CCC[N@H+](C)Cc1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000350632888 427960689 /nfs/dbraw/zinc/96/06/89/427960689.db2.gz ABINJBYIOVXXSW-UHFFFAOYSA-N 2 1 311.389 2.823 20 0 DFADMP CCC[N@@H+](C)Cc1nc(-c2cccc(Cn3ccnc3)c2)no1 ZINC000350632888 427960696 /nfs/dbraw/zinc/96/06/96/427960696.db2.gz ABINJBYIOVXXSW-UHFFFAOYSA-N 2 1 311.389 2.823 20 0 DFADMP CCC[C@@H](C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337567136 427962013 /nfs/dbraw/zinc/96/20/13/427962013.db2.gz ALINYKFLXQPRMK-SJORKVTESA-N 2 1 311.514 2.687 20 0 DFADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000340236603 427962837 /nfs/dbraw/zinc/96/28/37/427962837.db2.gz RWPBSYODBNJZBE-QZTJIDSGSA-N 2 1 320.477 2.853 20 0 DFADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@@H]1CCOC1(C)C)c1ccccc1 ZINC000340236603 427962844 /nfs/dbraw/zinc/96/28/44/427962844.db2.gz RWPBSYODBNJZBE-QZTJIDSGSA-N 2 1 320.477 2.853 20 0 DFADMP CO[C@@]1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000359662468 427964034 /nfs/dbraw/zinc/96/40/34/427964034.db2.gz HHFRXHZNFBHUIY-LJQANCHMSA-N 2 1 320.477 2.540 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@@H](C)[NH3+])c1 ZINC000340237903 427964065 /nfs/dbraw/zinc/96/40/65/427964065.db2.gz PDQMHVHELJDPGS-OAHLLOKOSA-N 2 1 305.466 2.662 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)[nH+]1 ZINC000340244105 427965096 /nfs/dbraw/zinc/96/50/96/427965096.db2.gz DGZLPFPRHXAQPY-YJBOKZPZSA-N 2 1 303.450 2.906 20 0 DFADMP C[C@H](CCNC(=O)C[C@@H]1CCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000340116836 427932054 /nfs/dbraw/zinc/93/20/54/427932054.db2.gz BJLANVUHOIHWKB-NJAFHUGGSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCCCO ZINC000304418225 427935735 /nfs/dbraw/zinc/93/57/35/427935735.db2.gz DZFZUGFSRDZHRS-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCCCO ZINC000304418225 427935739 /nfs/dbraw/zinc/93/57/39/427935739.db2.gz DZFZUGFSRDZHRS-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCCCO ZINC000304418225 427935742 /nfs/dbraw/zinc/93/57/42/427935742.db2.gz DZFZUGFSRDZHRS-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCCCCO ZINC000304418225 427935747 /nfs/dbraw/zinc/93/57/47/427935747.db2.gz DZFZUGFSRDZHRS-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCCCO ZINC000304418225 427935751 /nfs/dbraw/zinc/93/57/51/427935751.db2.gz DZFZUGFSRDZHRS-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@H]1Oc1ccccc1 ZINC000359635274 427947883 /nfs/dbraw/zinc/94/78/83/427947883.db2.gz NVJSVFWWCUEBRN-QWXYKEQDSA-N 2 1 318.461 2.684 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]1Oc1ccccc1 ZINC000359635274 427947888 /nfs/dbraw/zinc/94/78/88/427947888.db2.gz NVJSVFWWCUEBRN-QWXYKEQDSA-N 2 1 318.461 2.684 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914154 427949979 /nfs/dbraw/zinc/94/99/79/427949979.db2.gz LVBQHLAJPDFFTL-CVEARBPZSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914154 427949986 /nfs/dbraw/zinc/94/99/86/427949986.db2.gz LVBQHLAJPDFFTL-CVEARBPZSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000340914154 427949992 /nfs/dbraw/zinc/94/99/92/427949992.db2.gz LVBQHLAJPDFFTL-CVEARBPZSA-N 2 1 317.481 2.667 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1-c1noc(C[NH+](C)C)n1 ZINC000350594173 427954180 /nfs/dbraw/zinc/95/41/80/427954180.db2.gz KHTPHKGRTPRJCQ-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000346107121 428021921 /nfs/dbraw/zinc/02/19/21/428021921.db2.gz UREQOABRFTWHNA-HZPDHXFCSA-N 2 1 320.506 2.637 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000346107121 428021924 /nfs/dbraw/zinc/02/19/24/428021924.db2.gz UREQOABRFTWHNA-HZPDHXFCSA-N 2 1 320.506 2.637 20 0 DFADMP CC(C)[C@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000346127541 428028210 /nfs/dbraw/zinc/02/82/10/428028210.db2.gz IFXQXEAYEJORHU-XMTFNYHQSA-N 2 1 312.498 2.669 20 0 DFADMP COc1ccc(OC)c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000376966180 428033742 /nfs/dbraw/zinc/03/37/42/428033742.db2.gz FCFDMGXBIRJPOI-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000376966180 428033747 /nfs/dbraw/zinc/03/37/47/428033747.db2.gz FCFDMGXBIRJPOI-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP C[C@@H](O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000341332936 428035890 /nfs/dbraw/zinc/03/58/90/428035890.db2.gz XSRTWAQJFREQBA-ZLTBNTPESA-N 2 1 302.462 2.931 20 0 DFADMP CCc1nc(NC[C@@H](c2cccc(F)c2)[NH+](C)C)cc(C)[nH+]1 ZINC000341380390 428054258 /nfs/dbraw/zinc/05/42/58/428054258.db2.gz PGNBTULHUOFWKR-HNNXBMFYSA-N 2 1 302.397 3.201 20 0 DFADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@]2(CCCOC2)O1 ZINC000369551752 427996706 /nfs/dbraw/zinc/99/67/06/427996706.db2.gz PKLMMXOQMRUOFL-KSZLIROESA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@]2(CCCOC2)O1 ZINC000369551752 427996710 /nfs/dbraw/zinc/99/67/10/427996710.db2.gz PKLMMXOQMRUOFL-KSZLIROESA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@]2(CCCOC2)O1 ZINC000369551752 427996712 /nfs/dbraw/zinc/99/67/12/427996712.db2.gz PKLMMXOQMRUOFL-KSZLIROESA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@]2(CCCOC2)O1 ZINC000369551752 427996719 /nfs/dbraw/zinc/99/67/19/427996719.db2.gz PKLMMXOQMRUOFL-KSZLIROESA-N 2 1 310.482 2.521 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[C@@H]1c1ccccc1 ZINC000340359688 427997907 /nfs/dbraw/zinc/99/79/07/427997907.db2.gz YJNHEYSQPKXPBZ-GDAAHCPNSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2CCO)C[C@@H]1c1ccccc1 ZINC000340359688 427997916 /nfs/dbraw/zinc/99/79/16/427997916.db2.gz YJNHEYSQPKXPBZ-GDAAHCPNSA-N 2 1 302.462 2.963 20 0 DFADMP COc1cc2[nH+]ccc(N(C)CC[N@@H+](C)C3CC3)c2cc1OC ZINC000413237130 427998158 /nfs/dbraw/zinc/99/81/58/427998158.db2.gz TYFLUAKHUJSDGC-UHFFFAOYSA-N 2 1 315.417 2.782 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000359775448 428012782 /nfs/dbraw/zinc/01/27/82/428012782.db2.gz QNARSAHGBKLPOA-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000359775448 428012786 /nfs/dbraw/zinc/01/27/86/428012786.db2.gz QNARSAHGBKLPOA-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000369609833 428016215 /nfs/dbraw/zinc/01/62/15/428016215.db2.gz TWNROPALAZXSAY-JKSUJKDBSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000369609833 428016220 /nfs/dbraw/zinc/01/62/20/428016220.db2.gz TWNROPALAZXSAY-JKSUJKDBSA-N 2 1 304.482 2.910 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849759 428075354 /nfs/dbraw/zinc/07/53/54/428075354.db2.gz CZRUFKMMAWWMOC-FRYIKTPZSA-N 2 1 315.505 2.999 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849759 428075358 /nfs/dbraw/zinc/07/53/58/428075358.db2.gz CZRUFKMMAWWMOC-FRYIKTPZSA-N 2 1 315.505 2.999 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849759 428075365 /nfs/dbraw/zinc/07/53/65/428075365.db2.gz CZRUFKMMAWWMOC-FRYIKTPZSA-N 2 1 315.505 2.999 20 0 DFADMP CC(C)N1CCc2nc(C[N@@H+](C)CC3CCOCC3)sc2C1 ZINC000346232953 428083333 /nfs/dbraw/zinc/08/33/33/428083333.db2.gz YZXYCHJNXQEMKC-UHFFFAOYSA-N 2 1 323.506 2.768 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000377261248 428095277 /nfs/dbraw/zinc/09/52/77/428095277.db2.gz IAFOCSKEMCXVMM-HNNXBMFYSA-N 2 1 321.440 2.938 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000377261248 428095281 /nfs/dbraw/zinc/09/52/81/428095281.db2.gz IAFOCSKEMCXVMM-HNNXBMFYSA-N 2 1 321.440 2.938 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000359984320 428102917 /nfs/dbraw/zinc/10/29/17/428102917.db2.gz AGIITWSGGCXNEO-KRWDZBQOSA-N 2 1 316.493 2.905 20 0 DFADMP CCOC(=O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000377328176 428105656 /nfs/dbraw/zinc/10/56/56/428105656.db2.gz AFKHAIJNTMCZMG-UHFFFAOYSA-N 2 1 316.445 2.538 20 0 DFADMP CCOC(=O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000377328176 428105662 /nfs/dbraw/zinc/10/56/62/428105662.db2.gz AFKHAIJNTMCZMG-UHFFFAOYSA-N 2 1 316.445 2.538 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351863733 428114372 /nfs/dbraw/zinc/11/43/72/428114372.db2.gz UUFJXQFQOALFJM-ATLSCFEFSA-N 2 1 317.477 2.702 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351863733 428114374 /nfs/dbraw/zinc/11/43/74/428114374.db2.gz UUFJXQFQOALFJM-ATLSCFEFSA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859707 428114435 /nfs/dbraw/zinc/11/44/35/428114435.db2.gz GWVKFFCAFKDHCK-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859706 428114617 /nfs/dbraw/zinc/11/46/17/428114617.db2.gz GWVKFFCAFKDHCK-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351867121 428116772 /nfs/dbraw/zinc/11/67/72/428116772.db2.gz WGCPOPMKSLIGPE-IAGOWNOFSA-N 2 1 311.514 2.576 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000351867121 428116776 /nfs/dbraw/zinc/11/67/76/428116776.db2.gz WGCPOPMKSLIGPE-IAGOWNOFSA-N 2 1 311.514 2.576 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000360018954 428119768 /nfs/dbraw/zinc/11/97/68/428119768.db2.gz QZZRQSIEFWFRJY-DLBZAZTESA-N 2 1 317.408 2.574 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(-n2ccnc2)cc1 ZINC000360018819 428120455 /nfs/dbraw/zinc/12/04/55/428120455.db2.gz QTWIWTFNKWXCNS-HOCLYGCPSA-N 2 1 307.401 2.734 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000360037299 428126915 /nfs/dbraw/zinc/12/69/15/428126915.db2.gz JQSXHZMOYIWEOC-SJLPKXTDSA-N 2 1 302.462 2.665 20 0 DFADMP C[N@H+]1CC[C@H](NCc2cc(COC(C)(C)C)on2)[C@@H]2CCC[C@H]21 ZINC000377128796 428064301 /nfs/dbraw/zinc/06/43/01/428064301.db2.gz PHYHLWAHXSQVBL-YESZJQIVSA-N 2 1 321.465 2.952 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000360042612 428130471 /nfs/dbraw/zinc/13/04/71/428130471.db2.gz XRZXXUZTSMNGLE-CYBMUJFWSA-N 2 1 311.364 2.517 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000360058618 428139657 /nfs/dbraw/zinc/13/96/57/428139657.db2.gz XWFSMHJNJVNDEX-QGZVFWFLSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)[N@H+]1CCCN(CC[NH+](C)Cc2ccc(F)cc2)CC1 ZINC000360058647 428139763 /nfs/dbraw/zinc/13/97/63/428139763.db2.gz YBSIXLYYKPIALN-UHFFFAOYSA-N 2 1 307.457 2.674 20 0 DFADMP CC(C)[NH+]1CCCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000360058647 428139766 /nfs/dbraw/zinc/13/97/66/428139766.db2.gz YBSIXLYYKPIALN-UHFFFAOYSA-N 2 1 307.457 2.674 20 0 DFADMP CC(C)[NH+]1CCCN(CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000360058647 428139770 /nfs/dbraw/zinc/13/97/70/428139770.db2.gz YBSIXLYYKPIALN-UHFFFAOYSA-N 2 1 307.457 2.674 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000352539926 428140849 /nfs/dbraw/zinc/14/08/49/428140849.db2.gz FBHWIUSCBDCOGE-IBGZPJMESA-N 2 1 310.445 2.663 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000352539926 428140855 /nfs/dbraw/zinc/14/08/55/428140855.db2.gz FBHWIUSCBDCOGE-IBGZPJMESA-N 2 1 310.445 2.663 20 0 DFADMP c1cn(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2)cn1 ZINC000370133583 428142406 /nfs/dbraw/zinc/14/24/06/428142406.db2.gz SBPIMJZVTPNOLZ-UHFFFAOYSA-N 2 1 310.445 2.979 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000360039628 428129231 /nfs/dbraw/zinc/12/92/31/428129231.db2.gz LADCZZUXCCHDEX-KBAYOESNSA-N 2 1 310.445 2.623 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(c2ncnc3[nH]ccc32)CC1 ZINC000377519097 428147004 /nfs/dbraw/zinc/14/70/04/428147004.db2.gz KUGDUDUFEWTXKP-UHFFFAOYSA-N 2 1 321.428 2.979 20 0 DFADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360093365 428158930 /nfs/dbraw/zinc/15/89/30/428158930.db2.gz LHGHMOXJPZUARF-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CCC[C@H]1C ZINC000346424611 428166688 /nfs/dbraw/zinc/16/66/88/428166688.db2.gz DLQHUPQAPSZNEY-FGTMMUONSA-N 2 1 323.525 2.687 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000360114630 428168800 /nfs/dbraw/zinc/16/88/00/428168800.db2.gz HZLXISVFZOWYGK-HZPDHXFCSA-N 2 1 307.457 2.672 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000346438327 428171717 /nfs/dbraw/zinc/17/17/17/428171717.db2.gz PWFGJZKVWZRVNS-UHFFFAOYSA-N 2 1 309.429 2.544 20 0 DFADMP CC[NH+]1CCC([N@H+](CCCO[C@@H]2CCCCO2)C2CC2)CC1 ZINC000370290878 428176073 /nfs/dbraw/zinc/17/60/73/428176073.db2.gz XNBUACLEZQWQMQ-GOSISDBHSA-N 2 1 310.482 2.868 20 0 DFADMP CC[NH+]1CCC([N@@H+](CCCO[C@@H]2CCCCO2)C2CC2)CC1 ZINC000370290878 428176077 /nfs/dbraw/zinc/17/60/77/428176077.db2.gz XNBUACLEZQWQMQ-GOSISDBHSA-N 2 1 310.482 2.868 20 0 DFADMP COc1c(O)cccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000352693783 428206808 /nfs/dbraw/zinc/20/68/08/428206808.db2.gz NIRWHJIQLAVAMX-UHFFFAOYSA-N 2 1 315.417 2.589 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]3CCO)sc2C1 ZINC000370428550 428209196 /nfs/dbraw/zinc/20/91/96/428209196.db2.gz QEBRKIQQPVGXJG-KGLIPLIRSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H]3CCO)sc2C1 ZINC000370428550 428209199 /nfs/dbraw/zinc/20/91/99/428209199.db2.gz QEBRKIQQPVGXJG-KGLIPLIRSA-N 2 1 323.506 2.550 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCO[C@@H](C)C3)C2)[nH+]1 ZINC000352695192 428210049 /nfs/dbraw/zinc/21/00/49/428210049.db2.gz TZBRBPIBOFZOCM-BBWFWOEESA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCO[C@@H](C)C3)C2)[nH+]1 ZINC000352695192 428210050 /nfs/dbraw/zinc/21/00/50/428210050.db2.gz TZBRBPIBOFZOCM-BBWFWOEESA-N 2 1 303.450 2.939 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000352702515 428212515 /nfs/dbraw/zinc/21/25/15/428212515.db2.gz YGEPWBXIMRKJCR-IBGZPJMESA-N 2 1 315.461 2.554 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)cn1 ZINC000414128305 428214564 /nfs/dbraw/zinc/21/45/64/428214564.db2.gz GWRHEEDALXIHJX-CVEARBPZSA-N 2 1 305.466 2.875 20 0 DFADMP C[N@@H+](CCNc1ccncc1Br)Cc1ccccc1 ZINC000341821127 428216678 /nfs/dbraw/zinc/21/66/78/428216678.db2.gz JCQXEDMKVKTACP-UHFFFAOYSA-N 2 1 320.234 2.810 20 0 DFADMP C[N@H+](CCNc1cc[nH+]cc1Br)Cc1ccccc1 ZINC000341821127 428216682 /nfs/dbraw/zinc/21/66/82/428216682.db2.gz JCQXEDMKVKTACP-UHFFFAOYSA-N 2 1 320.234 2.810 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCCCC1 ZINC000346559746 428217115 /nfs/dbraw/zinc/21/71/15/428217115.db2.gz MMAGYYPIOXUTHD-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000377758247 428218623 /nfs/dbraw/zinc/21/86/23/428218623.db2.gz BYOHNZNJLSIGQU-VQIMIIECSA-N 2 1 311.429 2.878 20 0 DFADMP CC(C)[NH2+]CCN1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000370484574 428220327 /nfs/dbraw/zinc/22/03/27/428220327.db2.gz PEMVCIBJLFHXGF-LJQANCHMSA-N 2 1 303.494 2.971 20 0 DFADMP COC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172294 428224535 /nfs/dbraw/zinc/22/45/35/428224535.db2.gz DSXYHHYSYSCNQB-CXAGYDPISA-N 2 1 312.404 2.974 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nc2ccccc2n1C ZINC000414184813 428226482 /nfs/dbraw/zinc/22/64/82/428226482.db2.gz OJMRJWOCEYEBQC-CABCVRRESA-N 2 1 300.450 2.956 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC)CC2)[C@H](C)C1 ZINC000414180214 428226852 /nfs/dbraw/zinc/22/68/52/428226852.db2.gz LLENMVKYZBATIC-AQEOSJORSA-N 2 1 312.498 2.671 20 0 DFADMP Cc1cnc([C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000352738875 428227515 /nfs/dbraw/zinc/22/75/15/428227515.db2.gz OVVSYVPGAGUIFB-JTQLQIEISA-N 2 1 310.492 2.863 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000414187205 428229139 /nfs/dbraw/zinc/22/91/39/428229139.db2.gz PRCLPILEUIFIJO-CVEARBPZSA-N 2 1 313.449 2.650 20 0 DFADMP C[NH+](C)Cc1cnc(CN[C@@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000352752114 428230746 /nfs/dbraw/zinc/23/07/46/428230746.db2.gz XLSCWOKKCPEEPP-OAHLLOKOSA-N 2 1 322.522 2.559 20 0 DFADMP C[NH+](C)Cc1cnc(CN[C@@H]2CC[N@@H+](CC3CCCC3)C2)s1 ZINC000352752114 428230753 /nfs/dbraw/zinc/23/07/53/428230753.db2.gz XLSCWOKKCPEEPP-OAHLLOKOSA-N 2 1 322.522 2.559 20 0 DFADMP CCn1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000414204198 428232446 /nfs/dbraw/zinc/23/24/46/428232446.db2.gz FSDSOQFCZQIWKK-OAHLLOKOSA-N 2 1 316.449 2.694 20 0 DFADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@@H]31)C2 ZINC000414203519 428233228 /nfs/dbraw/zinc/23/32/28/428233228.db2.gz ZJTLQUYXAGUCGB-AHCXZYCDSA-N 2 1 300.446 2.625 20 0 DFADMP C[C@@H](CCc1cccn1C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352765385 428236848 /nfs/dbraw/zinc/23/68/48/428236848.db2.gz JSFWWBQJFUNGTO-ZDUSSCGKSA-N 2 1 306.479 2.654 20 0 DFADMP COc1c(C)cnc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000377667575 428186306 /nfs/dbraw/zinc/18/63/06/428186306.db2.gz DRHWNADJSPMKOO-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP COc1c(C)cnc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000377667575 428186312 /nfs/dbraw/zinc/18/63/12/428186312.db2.gz DRHWNADJSPMKOO-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000377667711 428188307 /nfs/dbraw/zinc/18/83/07/428188307.db2.gz DOTHTAAMCWFKMA-KURKYZTESA-N 2 1 305.441 2.645 20 0 DFADMP CN1CC[C@@H](NCC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000377667711 428188312 /nfs/dbraw/zinc/18/83/12/428188312.db2.gz DOTHTAAMCWFKMA-KURKYZTESA-N 2 1 305.441 2.645 20 0 DFADMP CN1CC[C@@H](NCC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000377667711 428188314 /nfs/dbraw/zinc/18/83/14/428188314.db2.gz DOTHTAAMCWFKMA-KURKYZTESA-N 2 1 305.441 2.645 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000377674581 428189871 /nfs/dbraw/zinc/18/98/71/428189871.db2.gz KVBBXNPUZAXSOZ-ROUUACIJSA-N 2 1 316.424 2.756 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000377672310 428190099 /nfs/dbraw/zinc/19/00/99/428190099.db2.gz VFWOTWWJFULJAD-UHFFFAOYSA-N 2 1 319.497 2.558 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc3n2CCCC3)CC1 ZINC000377672310 428190103 /nfs/dbraw/zinc/19/01/03/428190103.db2.gz VFWOTWWJFULJAD-UHFFFAOYSA-N 2 1 319.497 2.558 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cccnc1 ZINC000377673825 428190533 /nfs/dbraw/zinc/19/05/33/428190533.db2.gz IZKRPDPAQPOMPN-UHFFFAOYSA-N 2 1 315.465 2.646 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cccnc1 ZINC000377673825 428190538 /nfs/dbraw/zinc/19/05/38/428190538.db2.gz IZKRPDPAQPOMPN-UHFFFAOYSA-N 2 1 315.465 2.646 20 0 DFADMP Cc1cccn2c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cnc12 ZINC000360176853 428191916 /nfs/dbraw/zinc/19/19/16/428191916.db2.gz FECWCTMSWDDUDH-UHFFFAOYSA-N 2 1 300.450 2.854 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414076701 428198497 /nfs/dbraw/zinc/19/84/97/428198497.db2.gz QIALKSYJXPOFAA-JTDSTZFVSA-N 2 1 301.478 2.568 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377698810 428198721 /nfs/dbraw/zinc/19/87/21/428198721.db2.gz MQCQFEINJZJHLV-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377698810 428198722 /nfs/dbraw/zinc/19/87/22/428198722.db2.gz MQCQFEINJZJHLV-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000414080634 428201361 /nfs/dbraw/zinc/20/13/61/428201361.db2.gz DIZIRTQFEJKIES-HYVNUMGLSA-N 2 1 310.869 2.878 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370403577 428201422 /nfs/dbraw/zinc/20/14/22/428201422.db2.gz FSMVYNCNWQFJEV-PBHICJAKSA-N 2 1 317.408 2.558 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370403577 428201427 /nfs/dbraw/zinc/20/14/27/428201427.db2.gz FSMVYNCNWQFJEV-PBHICJAKSA-N 2 1 317.408 2.558 20 0 DFADMP CC(C)OC1CC([NH2+]C2CC[NH+](CCc3ccncc3)CC2)C1 ZINC000370399575 428202454 /nfs/dbraw/zinc/20/24/54/428202454.db2.gz LCCQSDRYUZQIJX-UHFFFAOYSA-N 2 1 317.477 2.634 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000370654437 428264439 /nfs/dbraw/zinc/26/44/39/428264439.db2.gz SXDWUJSLRVHVMF-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000370654437 428264443 /nfs/dbraw/zinc/26/44/43/428264443.db2.gz SXDWUJSLRVHVMF-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000370654437 428264446 /nfs/dbraw/zinc/26/44/46/428264446.db2.gz SXDWUJSLRVHVMF-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H](C)C1 ZINC000414350835 428265699 /nfs/dbraw/zinc/26/56/99/428265699.db2.gz ZNXRSWVFVDYDGO-WCXIOVBPSA-N 2 1 306.450 2.862 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000377948623 428269214 /nfs/dbraw/zinc/26/92/14/428269214.db2.gz UCJGMDOPJQSADM-ZWQIFLOQSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000377948623 428269217 /nfs/dbraw/zinc/26/92/17/428269217.db2.gz UCJGMDOPJQSADM-ZWQIFLOQSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377948623 428269220 /nfs/dbraw/zinc/26/92/20/428269220.db2.gz UCJGMDOPJQSADM-ZWQIFLOQSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000377948623 428269227 /nfs/dbraw/zinc/26/92/27/428269227.db2.gz UCJGMDOPJQSADM-ZWQIFLOQSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1occc1C[N@H+](C)C[C@@H]1CCCN(C)[C@H]1c1ccnn1C ZINC000414444371 428298358 /nfs/dbraw/zinc/29/83/58/428298358.db2.gz FKSKJESQJDXPJF-FUHWJXTLSA-N 2 1 316.449 2.836 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCCOCC3)CCCC2)CC1 ZINC000356683291 428271236 /nfs/dbraw/zinc/27/12/36/428271236.db2.gz SYNICGSTOKQSPX-INIZCTEOSA-N 2 1 310.482 2.569 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000414355947 428271619 /nfs/dbraw/zinc/27/16/19/428271619.db2.gz ZKHOFSDYJFCOKF-BVBHFADKSA-N 2 1 317.452 2.867 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693419 428277297 /nfs/dbraw/zinc/27/72/97/428277297.db2.gz NAPZSTKZYMMDDC-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000370706675 428279638 /nfs/dbraw/zinc/27/96/38/428279638.db2.gz CCVVOHMTZNQXGA-UYAOXDASSA-N 2 1 315.505 2.761 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000370712007 428280965 /nfs/dbraw/zinc/28/09/65/428280965.db2.gz YZOYOZMFUZQYTP-YOEHRIQHSA-N 2 1 307.507 2.514 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000370712006 428281351 /nfs/dbraw/zinc/28/13/51/428281351.db2.gz YZOYOZMFUZQYTP-WMLDXEAASA-N 2 1 307.507 2.514 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1F ZINC000370708314 428281538 /nfs/dbraw/zinc/28/15/38/428281538.db2.gz PMHMXNCDONEFRL-LPHOPBHVSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1F ZINC000370708314 428281545 /nfs/dbraw/zinc/28/15/45/428281545.db2.gz PMHMXNCDONEFRL-LPHOPBHVSA-N 2 1 319.468 2.592 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CCC4CC4)CC3)C2)cc1 ZINC000352881494 428292601 /nfs/dbraw/zinc/29/26/01/428292601.db2.gz ZRTNRKDOFYEDJG-HXUWFJFHSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342091808 428296878 /nfs/dbraw/zinc/29/68/78/428296878.db2.gz CSXMSAROECQCOH-NXOAAHMSSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000342091808 428296882 /nfs/dbraw/zinc/29/68/82/428296882.db2.gz CSXMSAROECQCOH-NXOAAHMSSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000342095274 428296889 /nfs/dbraw/zinc/29/68/89/428296889.db2.gz FSTLGKWJYLSFJM-LBEHMCEESA-N 2 1 319.424 2.520 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000342095274 428296894 /nfs/dbraw/zinc/29/68/94/428296894.db2.gz FSTLGKWJYLSFJM-LBEHMCEESA-N 2 1 319.424 2.520 20 0 DFADMP COc1cccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1OC ZINC000377861965 428247325 /nfs/dbraw/zinc/24/73/25/428247325.db2.gz UTZKZYDCBZKWJF-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1OC ZINC000377861965 428247332 /nfs/dbraw/zinc/24/73/32/428247332.db2.gz UTZKZYDCBZKWJF-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ncccc1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370610581 428250801 /nfs/dbraw/zinc/25/08/01/428250801.db2.gz NXDFMMBQBFKFIZ-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(NC2CC[NH+](CC(C)C)CC2)n1 ZINC000370612308 428252075 /nfs/dbraw/zinc/25/20/75/428252075.db2.gz KTHZRQGEFHVICO-UHFFFAOYSA-N 2 1 313.449 3.108 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000356607744 428253534 /nfs/dbraw/zinc/25/35/34/428253534.db2.gz YEJXJUWBDXVYJM-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP CC[NH+](C[C@H](C)C[N@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000346645908 428254475 /nfs/dbraw/zinc/25/44/75/428254475.db2.gz QIRGUMKQXGFWME-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC[NH+](C[C@@H](C)C[N@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000346645908 428254478 /nfs/dbraw/zinc/25/44/78/428254478.db2.gz QIRGUMKQXGFWME-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC[NH+](C[C@@H](C)C[N@@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000346645908 428254485 /nfs/dbraw/zinc/25/44/85/428254485.db2.gz QIRGUMKQXGFWME-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275574665 273572050 /nfs/dbraw/zinc/57/20/50/273572050.db2.gz OPGKLMULVZNODK-GFCCVEGCSA-N 2 1 321.856 2.746 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000370634428 428260390 /nfs/dbraw/zinc/26/03/90/428260390.db2.gz JXKVBGHJRDLMNH-HKUYNNGSSA-N 2 1 311.429 2.873 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000370634428 428260395 /nfs/dbraw/zinc/26/03/95/428260395.db2.gz JXKVBGHJRDLMNH-HKUYNNGSSA-N 2 1 311.429 2.873 20 0 DFADMP C[C@@H](O)CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813493 428260894 /nfs/dbraw/zinc/26/08/94/428260894.db2.gz BTEZGRNWRXFXSJ-IEBWSBKVSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](O)CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813493 428260901 /nfs/dbraw/zinc/26/09/01/428260901.db2.gz BTEZGRNWRXFXSJ-IEBWSBKVSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](O)CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813493 428260907 /nfs/dbraw/zinc/26/09/07/428260907.db2.gz BTEZGRNWRXFXSJ-IEBWSBKVSA-N 2 1 302.462 2.745 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2c(-c3ccccc3)nc3ccccn32)CCC1 ZINC000342114870 428306283 /nfs/dbraw/zinc/30/62/83/428306283.db2.gz XCRWPMORVMFIIZ-UHFFFAOYSA-N 2 1 306.413 2.972 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000378124500 428313653 /nfs/dbraw/zinc/31/36/53/428313653.db2.gz AXOWMYWRCBSVTR-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP CN1CC[C@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)[C@H]2C1 ZINC000352930215 428316147 /nfs/dbraw/zinc/31/61/47/428316147.db2.gz IYNMYIKNHDIQDR-YOEHRIQHSA-N 2 1 300.446 2.926 20 0 DFADMP CN1CC[C@H]2CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)[C@H]2C1 ZINC000352930215 428316150 /nfs/dbraw/zinc/31/61/50/428316150.db2.gz IYNMYIKNHDIQDR-YOEHRIQHSA-N 2 1 300.446 2.926 20 0 DFADMP COC(=O)[C@@]12C[N@@H+](CC[C@H]3CCCC[NH+]3C)C[C@@H]1CCCC2 ZINC000342135956 428316495 /nfs/dbraw/zinc/31/64/95/428316495.db2.gz UPPDMQTYMBXNQI-JZXOWHBKSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@@]12C[NH+](CC[C@H]3CCCC[N@@H+]3C)C[C@@H]1CCCC2 ZINC000342135956 428316499 /nfs/dbraw/zinc/31/64/99/428316499.db2.gz UPPDMQTYMBXNQI-JZXOWHBKSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@@]12C[NH+](CC[C@H]3CCCC[N@H+]3C)C[C@@H]1CCCC2 ZINC000342135956 428316505 /nfs/dbraw/zinc/31/65/05/428316505.db2.gz UPPDMQTYMBXNQI-JZXOWHBKSA-N 2 1 308.466 2.526 20 0 DFADMP CN1CC[C@@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)[C@@H]2C1 ZINC000352929913 428316914 /nfs/dbraw/zinc/31/69/14/428316914.db2.gz IYNMYIKNHDIQDR-RHSMWYFYSA-N 2 1 300.446 2.926 20 0 DFADMP CN1CC[C@@H]2CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)[C@@H]2C1 ZINC000352929913 428316918 /nfs/dbraw/zinc/31/69/18/428316918.db2.gz IYNMYIKNHDIQDR-RHSMWYFYSA-N 2 1 300.446 2.926 20 0 DFADMP Cc1nc(NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)c(C)c(C)[nH+]1 ZINC000378157843 428320647 /nfs/dbraw/zinc/32/06/47/428320647.db2.gz IUEHXLBNXGZNKL-GDBMZVCRSA-N 2 1 316.474 3.568 20 0 DFADMP Cc1nc(NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)c(C)c(C)[nH+]1 ZINC000378157843 428320653 /nfs/dbraw/zinc/32/06/53/428320653.db2.gz IUEHXLBNXGZNKL-GDBMZVCRSA-N 2 1 316.474 3.568 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346824912 428331859 /nfs/dbraw/zinc/33/18/59/428331859.db2.gz CZBINFMAGZLQIT-ARFHVFGLSA-N 2 1 304.434 2.653 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378209234 428335213 /nfs/dbraw/zinc/33/52/13/428335213.db2.gz JYQUECGBASSKBR-ZNMIVQPWSA-N 2 1 306.454 2.543 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]12 ZINC000346827544 428335304 /nfs/dbraw/zinc/33/53/04/428335304.db2.gz SOAKCJRQDCHAEZ-APHBMKBZSA-N 2 1 316.836 2.899 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)cnc21 ZINC000346829892 428335328 /nfs/dbraw/zinc/33/53/28/428335328.db2.gz OJQYUUCAKDFRKU-XIRDDKMYSA-N 2 1 313.449 2.571 20 0 DFADMP CC[N@H+]1CC[C@@H](NCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000414548646 428335455 /nfs/dbraw/zinc/33/54/55/428335455.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@@H](NCC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000414548646 428335462 /nfs/dbraw/zinc/33/54/62/428335462.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000414548646 428335467 /nfs/dbraw/zinc/33/54/67/428335467.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP CCN1CC[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000414548646 428335470 /nfs/dbraw/zinc/33/54/70/428335470.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP CCN1CC[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000414548646 428335473 /nfs/dbraw/zinc/33/54/73/428335473.db2.gz YBHFXHOHGUQTFF-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000356840250 428335775 /nfs/dbraw/zinc/33/57/75/428335775.db2.gz DNUHQVSLPPHHOA-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)[nH+]1 ZINC000356857313 428340437 /nfs/dbraw/zinc/34/04/37/428340437.db2.gz WXHCALJELITIEJ-JKSUJKDBSA-N 2 1 303.450 2.764 20 0 DFADMP c1ccc(C[N@@H+](CC2CCOCC2)C[C@H]2CCC[NH2+]C2)cc1 ZINC000346838895 428340525 /nfs/dbraw/zinc/34/05/25/428340525.db2.gz RXASOEPLMSJNGN-IBGZPJMESA-N 2 1 302.462 2.915 20 0 DFADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1-c1ccccc1 ZINC000346844863 428341802 /nfs/dbraw/zinc/34/18/02/428341802.db2.gz LZZSBAOBNSTRBM-SNRMKQJTSA-N 2 1 310.445 2.740 20 0 DFADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)sc2C1 ZINC000346842160 428342542 /nfs/dbraw/zinc/34/25/42/428342542.db2.gz WUPHNSWIKSUSEJ-RQJABVFESA-N 2 1 305.491 2.827 20 0 DFADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)sc2C1 ZINC000346842160 428342545 /nfs/dbraw/zinc/34/25/45/428342545.db2.gz WUPHNSWIKSUSEJ-RQJABVFESA-N 2 1 305.491 2.827 20 0 DFADMP CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000356872853 428342604 /nfs/dbraw/zinc/34/26/04/428342604.db2.gz PNAPAPPLOAJKHT-HCXYKTFWSA-N 2 1 302.462 2.504 20 0 DFADMP CCc1cccnc1[C@H](C)[NH2+]CCCC[NH+]1CCN(CC)CC1 ZINC000356882908 428348204 /nfs/dbraw/zinc/34/82/04/428348204.db2.gz VSHWXYRICWQOAF-KRWDZBQOSA-N 2 1 318.509 2.712 20 0 DFADMP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000371069418 428353361 /nfs/dbraw/zinc/35/33/61/428353361.db2.gz NEVDBULEKPEDNW-CABCVRRESA-N 2 1 307.438 2.813 20 0 DFADMP COc1cc(C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1O ZINC000414747721 428392384 /nfs/dbraw/zinc/39/23/84/428392384.db2.gz MXPPKNLJXLTRMT-ZFWWWQNUSA-N 2 1 304.434 2.753 20 0 DFADMP COc1cc(C[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C2CC2)ccc1O ZINC000414747714 428392709 /nfs/dbraw/zinc/39/27/09/428392709.db2.gz MXPPKNLJXLTRMT-DZGCQCFKSA-N 2 1 304.434 2.753 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378436608 428395178 /nfs/dbraw/zinc/39/51/78/428395178.db2.gz QOKZQWSJEJTXHS-DLBZAZTESA-N 2 1 319.468 2.846 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378430044 428395961 /nfs/dbraw/zinc/39/59/61/428395961.db2.gz BMDGUKFQFKRVPR-IRXDYDNUSA-N 2 1 319.468 2.846 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414771253 428397058 /nfs/dbraw/zinc/39/70/58/428397058.db2.gz QSFIOTGOXUQZOI-CALCHBBNSA-N 2 1 310.445 2.817 20 0 DFADMP C[C@@H]1Oc2cc(F)ccc2[C@@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000342312013 428397392 /nfs/dbraw/zinc/39/73/92/428397392.db2.gz JVZQVSMZWGXGBT-MGPLVRAMSA-N 2 1 321.421 2.956 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000414771996 428401481 /nfs/dbraw/zinc/40/14/81/428401481.db2.gz BBAPZCPETCCPNP-ROUUACIJSA-N 2 1 324.472 2.909 20 0 DFADMP COc1ccc2oc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2c1 ZINC000414772609 428402013 /nfs/dbraw/zinc/40/20/13/428402013.db2.gz UXJXQGUULCHLOA-OKILXGFUSA-N 2 1 300.402 2.873 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414774638 428402261 /nfs/dbraw/zinc/40/22/61/428402261.db2.gz YQSVBOFNPBYFHH-CALCHBBNSA-N 2 1 310.445 2.612 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414772176 428402292 /nfs/dbraw/zinc/40/22/92/428402292.db2.gz BGPSAIZRJGXCSZ-KBPBESRZSA-N 2 1 316.474 2.960 20 0 DFADMP Clc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780370 428403132 /nfs/dbraw/zinc/40/31/32/428403132.db2.gz LKLNUTKXLQLKGE-UONOGXRCSA-N 2 1 318.852 2.809 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414775728 428404148 /nfs/dbraw/zinc/40/41/48/428404148.db2.gz GNJODKHCVHQSNP-MSOLQXFVSA-N 2 1 310.445 2.694 20 0 DFADMP Cc1cc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)ccc1Cl ZINC000414777973 428405611 /nfs/dbraw/zinc/40/56/11/428405611.db2.gz ISQRVABTPZAQEA-HNNXBMFYSA-N 2 1 308.853 2.836 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785723 428406315 /nfs/dbraw/zinc/40/63/15/428406315.db2.gz TUTJEAGZCHCDRS-MSOLQXFVSA-N 2 1 314.477 2.503 20 0 DFADMP CC(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414785202 428406665 /nfs/dbraw/zinc/40/66/65/428406665.db2.gz JIYFRJPXPBUOGN-SFHVURJKSA-N 2 1 302.462 2.997 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000414781832 428406748 /nfs/dbraw/zinc/40/67/48/428406748.db2.gz NLSRLTDPZAOQRB-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP COC(=O)C[C@@](C)(NCC[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000353152526 428407183 /nfs/dbraw/zinc/40/71/83/428407183.db2.gz XFNMDICJPZKIPO-SJLPKXTDSA-N 2 1 322.424 2.678 20 0 DFADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785429 428407280 /nfs/dbraw/zinc/40/72/80/428407280.db2.gz SRCYOHSVIBSTEQ-AEFFLSMTSA-N 2 1 302.462 2.553 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787195 428410086 /nfs/dbraw/zinc/41/00/86/428410086.db2.gz VIQBMQMDLXXSDA-HOTGVXAUSA-N 2 1 316.445 2.669 20 0 DFADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414787653 428411341 /nfs/dbraw/zinc/41/13/41/428411341.db2.gz VSAJTOPWCNABCU-RBUKOAKNSA-N 2 1 314.473 2.876 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(O)CCC2)CC1 ZINC000342235545 428363055 /nfs/dbraw/zinc/36/30/55/428363055.db2.gz RRPBXYXXCGNWHO-UHFFFAOYSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1cnn2ccccc12 ZINC000353034290 428363090 /nfs/dbraw/zinc/36/30/90/428363090.db2.gz ARQPBUSQDZOIDO-APWZRJJASA-N 2 1 320.440 2.944 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cnn2ccccc12 ZINC000353034290 428363094 /nfs/dbraw/zinc/36/30/94/428363094.db2.gz ARQPBUSQDZOIDO-APWZRJJASA-N 2 1 320.440 2.944 20 0 DFADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@H]2CCc3[nH+]ccn3C2)CC1 ZINC000378334115 428369196 /nfs/dbraw/zinc/36/91/96/428369196.db2.gz OHTSRBUSKAWTQU-NRXISQOPSA-N 2 1 319.449 2.688 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673096 428370062 /nfs/dbraw/zinc/37/00/62/428370062.db2.gz QFXKXEPMCDTBCO-GDBMZVCRSA-N 2 1 301.438 2.634 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673096 428370067 /nfs/dbraw/zinc/37/00/67/428370067.db2.gz QFXKXEPMCDTBCO-GDBMZVCRSA-N 2 1 301.438 2.634 20 0 DFADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669063 428370366 /nfs/dbraw/zinc/37/03/66/428370366.db2.gz BEMTXNBNZNYQFL-KBPBESRZSA-N 2 1 323.868 2.530 20 0 DFADMP c1cc(-c2ccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)n[nH]1 ZINC000378349352 428371319 /nfs/dbraw/zinc/37/13/19/428371319.db2.gz JOFMKDHEQBVVBA-CQSZACIVSA-N 2 1 300.406 2.587 20 0 DFADMP c1cc(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)o2)n[nH]1 ZINC000378349352 428371324 /nfs/dbraw/zinc/37/13/24/428371324.db2.gz JOFMKDHEQBVVBA-CQSZACIVSA-N 2 1 300.406 2.587 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414677037 428372033 /nfs/dbraw/zinc/37/20/33/428372033.db2.gz ODPSSLKIAYICIM-ZBFHGGJFSA-N 2 1 303.450 2.562 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c1C ZINC000414677031 428373782 /nfs/dbraw/zinc/37/37/82/428373782.db2.gz ODPSSLKIAYICIM-GDBMZVCRSA-N 2 1 303.450 2.562 20 0 DFADMP CCOc1ccc(C[NH+]2CCN(CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000414676348 428373909 /nfs/dbraw/zinc/37/39/09/428373909.db2.gz HJPXLLOBFMHAAD-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414685146 428377542 /nfs/dbraw/zinc/37/75/42/428377542.db2.gz YEFHZCFRYKHPRR-GOEBONIOSA-N 2 1 306.450 2.914 20 0 DFADMP COCCOCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414695920 428378628 /nfs/dbraw/zinc/37/86/28/428378628.db2.gz ADXNHKMIVYLYFM-HKUYNNGSSA-N 2 1 320.477 2.540 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357079808 428382048 /nfs/dbraw/zinc/38/20/48/428382048.db2.gz LOFKLEOGAWWQRS-CHWSQXEVSA-N 2 1 314.351 2.626 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357079808 428382054 /nfs/dbraw/zinc/38/20/54/428382054.db2.gz LOFKLEOGAWWQRS-CHWSQXEVSA-N 2 1 314.351 2.626 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000414712450 428383554 /nfs/dbraw/zinc/38/35/54/428383554.db2.gz UINWVHHMKDEZMP-QGZVFWFLSA-N 2 1 321.509 2.620 20 0 DFADMP COCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCCC1 ZINC000353100982 428384002 /nfs/dbraw/zinc/38/40/02/428384002.db2.gz ASIOASCCJHIKSC-UHFFFAOYSA-N 2 1 311.495 2.891 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+](C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713715 428384341 /nfs/dbraw/zinc/38/43/41/428384341.db2.gz WQKCFPHJZGOUBZ-NXEZZACHSA-N 2 1 307.385 2.982 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713715 428384346 /nfs/dbraw/zinc/38/43/46/428384346.db2.gz WQKCFPHJZGOUBZ-NXEZZACHSA-N 2 1 307.385 2.982 20 0 DFADMP C[C@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414856555 428436021 /nfs/dbraw/zinc/43/60/21/428436021.db2.gz OIPOESIZPNZHGQ-FUHWJXTLSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414868952 428439458 /nfs/dbraw/zinc/43/94/58/428439458.db2.gz ARYOBRXUZWHSOV-HNNXBMFYSA-N 2 1 301.409 2.921 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+]Cc2ccc3ncccc3c2)c1 ZINC000414880657 428443789 /nfs/dbraw/zinc/44/37/89/428443789.db2.gz QVYJMOYNTSZZOE-UHFFFAOYSA-N 2 1 306.413 2.899 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225746 428444529 /nfs/dbraw/zinc/44/45/29/428444529.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357225746 428444535 /nfs/dbraw/zinc/44/45/35/428444535.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357225746 428444542 /nfs/dbraw/zinc/44/45/42/428444542.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225746 428444545 /nfs/dbraw/zinc/44/45/45/428444545.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225746 428444552 /nfs/dbraw/zinc/44/45/52/428444552.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357225746 428444556 /nfs/dbraw/zinc/44/45/56/428444556.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357225746 428444562 /nfs/dbraw/zinc/44/45/62/428444562.db2.gz BLKSBECMQJIWDK-MISYRCLQSA-N 3 1 315.505 2.828 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357232343 428445890 /nfs/dbraw/zinc/44/58/90/428445890.db2.gz NTBKFALWPOROAK-NXHRZFHOSA-N 2 1 322.518 2.601 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347103191 428446286 /nfs/dbraw/zinc/44/62/86/428446286.db2.gz MDHAPAPIWAHZDV-GOSISDBHSA-N 2 1 312.461 2.637 20 0 DFADMP C[NH+](C)CC1(C[NH2+]Cc2cnc(C(C)(C)C)nc2)CCCC1 ZINC000342768790 428448124 /nfs/dbraw/zinc/44/81/24/428448124.db2.gz NLIJPUNWBSAMOO-UHFFFAOYSA-N 2 1 304.482 2.986 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000347109281 428448376 /nfs/dbraw/zinc/44/83/76/428448376.db2.gz NCYACDJWJJPCCP-WBMJQRKESA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000347109281 428448381 /nfs/dbraw/zinc/44/83/81/428448381.db2.gz NCYACDJWJJPCCP-WBMJQRKESA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379664607 428452139 /nfs/dbraw/zinc/45/21/39/428452139.db2.gz PTGUJFCJMHHHIA-NVXWUHKLSA-N 2 1 317.477 2.673 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414902457 428452923 /nfs/dbraw/zinc/45/29/23/428452923.db2.gz IDAWQYYWNLUFKO-YRPNKDGESA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414902457 428452929 /nfs/dbraw/zinc/45/29/29/428452929.db2.gz IDAWQYYWNLUFKO-YRPNKDGESA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414902457 428452935 /nfs/dbraw/zinc/45/29/35/428452935.db2.gz IDAWQYYWNLUFKO-YRPNKDGESA-N 3 1 313.489 2.629 20 0 DFADMP Clc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc2c1OCCCO2 ZINC000414909589 428454124 /nfs/dbraw/zinc/45/41/24/428454124.db2.gz SWXMUMOISCGNDY-CYBMUJFWSA-N 2 1 310.825 2.733 20 0 DFADMP COc1sc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000414928361 428458642 /nfs/dbraw/zinc/45/86/42/428458642.db2.gz AVBZGXSJUAFHNG-RKDXNWHRSA-N 2 1 319.268 2.749 20 0 DFADMP Cc1cnc(CN2CCC[N@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000342790844 428458836 /nfs/dbraw/zinc/45/88/36/428458836.db2.gz NEHRFCZSGFVQGN-QGZVFWFLSA-N 2 1 312.461 2.825 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414923682 428458883 /nfs/dbraw/zinc/45/88/83/428458883.db2.gz FOSPACIQOAGVJH-CJNGLKHVSA-N 2 1 321.440 2.911 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)[C@@H](C)C1CC1 ZINC000385379660 428460191 /nfs/dbraw/zinc/46/01/91/428460191.db2.gz ZCMHYYPRHSNSBS-QFBILLFUSA-N 2 1 304.478 2.988 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000386779045 428461698 /nfs/dbraw/zinc/46/16/98/428461698.db2.gz JCAXDUCHBRXUNA-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc(Cl)c1OC ZINC000414936116 428462053 /nfs/dbraw/zinc/46/20/53/428462053.db2.gz BGXNMUNYOARLJE-RISCZKNCSA-N 2 1 312.841 2.835 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414945368 428464743 /nfs/dbraw/zinc/46/47/43/428464743.db2.gz RJGJFEXFWWODFM-KDOFPFPSSA-N 2 1 311.429 2.845 20 0 DFADMP COc1cc2c(c(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347141460 428465715 /nfs/dbraw/zinc/46/57/15/428465715.db2.gz WOVJFESADSXPGA-MJBXVCDLSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347141460 428465720 /nfs/dbraw/zinc/46/57/20/428465720.db2.gz WOVJFESADSXPGA-MJBXVCDLSA-N 2 1 304.434 2.578 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414946319 428466323 /nfs/dbraw/zinc/46/63/23/428466323.db2.gz SYKCFXYRCSJOFG-MAUKXSAKSA-N 2 1 310.445 2.937 20 0 DFADMP C[C@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414953962 428470888 /nfs/dbraw/zinc/47/08/88/428470888.db2.gz MIDJBILHVNLGJD-AEFFLSMTSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC000414946777 428467262 /nfs/dbraw/zinc/46/72/62/428467262.db2.gz KCSKDRSXWUKRAW-ONGXEEELSA-N 2 1 301.203 2.818 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347144019 428467935 /nfs/dbraw/zinc/46/79/35/428467935.db2.gz XETPQXBHZFCXQB-GFCCVEGCSA-N 2 1 302.340 2.669 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347144019 428467938 /nfs/dbraw/zinc/46/79/38/428467938.db2.gz XETPQXBHZFCXQB-GFCCVEGCSA-N 2 1 302.340 2.669 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347035447 428415590 /nfs/dbraw/zinc/41/55/90/428415590.db2.gz GTNPVIQKVMFELB-GXTWGEPZSA-N 2 1 302.447 2.764 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347035451 428416276 /nfs/dbraw/zinc/41/62/76/428416276.db2.gz GTNPVIQKVMFELB-JSGCOSHPSA-N 2 1 302.447 2.764 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1Cl ZINC000414812199 428418364 /nfs/dbraw/zinc/41/83/64/428418364.db2.gz XCGNQIKUHWTRGU-XHDPSFHLSA-N 2 1 309.841 2.692 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414812034 428419637 /nfs/dbraw/zinc/41/96/37/428419637.db2.gz OYEPEBJHZVMIHE-XHDPSFHLSA-N 2 1 309.841 2.692 20 0 DFADMP Fc1cc(Br)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414817301 428422275 /nfs/dbraw/zinc/42/22/75/428422275.db2.gz RYMGBNDQTKHCML-FUNVUKJBSA-N 2 1 313.214 2.961 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000414812634 428422614 /nfs/dbraw/zinc/42/26/14/428422614.db2.gz XQNNLAHNAJJTQM-NHYWBVRUSA-N 2 1 309.841 2.692 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414826494 428423713 /nfs/dbraw/zinc/42/37/13/428423713.db2.gz WBBLGZRUNRKVKT-UKRRQHHQSA-N 2 1 316.424 2.798 20 0 DFADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830049 428427174 /nfs/dbraw/zinc/42/71/74/428427174.db2.gz AKGHXUFIBGXUAE-RDJZCZTQSA-N 2 1 309.498 2.665 20 0 DFADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414840647 428429158 /nfs/dbraw/zinc/42/91/58/428429158.db2.gz GTDBLBKVKKOXAT-SNVBAGLBSA-N 2 1 303.219 2.718 20 0 DFADMP CC[NH2+]CC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414840646 428430537 /nfs/dbraw/zinc/43/05/37/428430537.db2.gz GTDBLBKVKKOXAT-JTQLQIEISA-N 2 1 303.219 2.718 20 0 DFADMP [NH3+]C[C@H](NC1CC[NH+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000414841591 428430813 /nfs/dbraw/zinc/43/08/13/428430813.db2.gz NMYSTWPVAVRBCZ-IBGZPJMESA-N 2 1 316.493 2.543 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCCCC1 ZINC000414838440 428431324 /nfs/dbraw/zinc/43/13/24/428431324.db2.gz IDJPZKYVHHOBNS-SFHVURJKSA-N 2 1 318.461 2.996 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000414837888 428431417 /nfs/dbraw/zinc/43/14/17/428431417.db2.gz HHNLLOBCATXBNO-FUHWJXTLSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000414837888 428431420 /nfs/dbraw/zinc/43/14/20/428431420.db2.gz HHNLLOBCATXBNO-FUHWJXTLSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)c1ccccc1 ZINC000360889819 428481648 /nfs/dbraw/zinc/48/16/48/428481648.db2.gz VCTJAOAWJKFUJO-RYQLBKOJSA-N 2 1 302.462 2.806 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)c1ccccc1 ZINC000360889819 428481655 /nfs/dbraw/zinc/48/16/55/428481655.db2.gz VCTJAOAWJKFUJO-RYQLBKOJSA-N 2 1 302.462 2.806 20 0 DFADMP CCCn1c(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)nc2ccccc21 ZINC000414997163 428481728 /nfs/dbraw/zinc/48/17/28/428481728.db2.gz HEFSKXRXYMYHCU-CYBMUJFWSA-N 2 1 322.403 2.781 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)cc(Br)c2)CC1 ZINC000392763131 428482232 /nfs/dbraw/zinc/48/22/32/428482232.db2.gz DEQYWSBWYFYSQZ-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353431155 428530799 /nfs/dbraw/zinc/53/07/99/428530799.db2.gz LAFIGWROIASYMK-MSOLQXFVSA-N 2 1 321.509 2.728 20 0 DFADMP CCOCC[N@@H+]1CCN(c2cc[nH+]c(C)c2Cl)C[C@@H]1CC ZINC000357320207 428482659 /nfs/dbraw/zinc/48/26/59/428482659.db2.gz DBDCZMSUEIQLKR-AWEZNQCLSA-N 2 1 311.857 2.981 20 0 DFADMP CCOCC[N@H+]1CCN(c2cc[nH+]c(C)c2Cl)C[C@@H]1CC ZINC000357320207 428482665 /nfs/dbraw/zinc/48/26/65/428482665.db2.gz DBDCZMSUEIQLKR-AWEZNQCLSA-N 2 1 311.857 2.981 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)CCCC[NH3+])sc2C1 ZINC000415006840 428489210 /nfs/dbraw/zinc/48/92/10/428489210.db2.gz AMYYZPZFMNVFLE-ZDUSSCGKSA-N 3 1 310.511 2.517 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)CCCC[NH3+])sc2C1 ZINC000415006840 428489217 /nfs/dbraw/zinc/48/92/17/428489217.db2.gz AMYYZPZFMNVFLE-ZDUSSCGKSA-N 3 1 310.511 2.517 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415006702 428489367 /nfs/dbraw/zinc/48/93/67/428489367.db2.gz QQFJPYVOAHFDBX-HNNXBMFYSA-N 2 1 320.387 2.720 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415037625 428496228 /nfs/dbraw/zinc/49/62/28/428496228.db2.gz GWOYIIYFQSLYQP-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415035182 428496529 /nfs/dbraw/zinc/49/65/29/428496529.db2.gz DNFCAGZXENJWKP-UXHICEINSA-N 2 1 324.472 2.895 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415035182 428496534 /nfs/dbraw/zinc/49/65/34/428496534.db2.gz DNFCAGZXENJWKP-UXHICEINSA-N 2 1 324.472 2.895 20 0 DFADMP C[N@@H+](Cc1ccc(-c2ccccc2Cl)s1)C[C@@H](O)C[NH3+] ZINC000415047104 428498549 /nfs/dbraw/zinc/49/85/49/428498549.db2.gz AHFNXRUVEFGHTN-NSHDSACASA-N 2 1 310.850 2.820 20 0 DFADMP C[N@H+](Cc1ccc(-c2ccccc2Cl)s1)C[C@@H](O)C[NH3+] ZINC000415047104 428498552 /nfs/dbraw/zinc/49/85/52/428498552.db2.gz AHFNXRUVEFGHTN-NSHDSACASA-N 2 1 310.850 2.820 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000395711099 428499206 /nfs/dbraw/zinc/49/92/06/428499206.db2.gz PZWOCGQZIDQTIF-MRXNPFEDSA-N 2 1 311.514 2.781 20 0 DFADMP C[N@@H+](C/C=C\c1ccc(Cl)cc1)C1CCN(CCO)CC1 ZINC000353359433 428500437 /nfs/dbraw/zinc/50/04/37/428500437.db2.gz ANYWYLQCAXXIMI-IHWYPQMZSA-N 2 1 308.853 2.742 20 0 DFADMP CCc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000372752712 428501503 /nfs/dbraw/zinc/50/15/03/428501503.db2.gz SRZQTUKCIZQGMV-IPMKNSEASA-N 2 1 302.462 2.933 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415052254 428501434 /nfs/dbraw/zinc/50/14/34/428501434.db2.gz MZLMFEOIIJBLAL-DOTOQJQBSA-N 2 1 318.461 2.976 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000396573873 428502139 /nfs/dbraw/zinc/50/21/39/428502139.db2.gz BOENFCLBRXKJDU-AXDKOMKPSA-N 2 1 313.489 2.627 20 0 DFADMP OC1(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000396797990 428502772 /nfs/dbraw/zinc/50/27/72/428502772.db2.gz ZKCUSDXKKPCMOV-RBUKOAKNSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000396797990 428502778 /nfs/dbraw/zinc/50/27/78/428502778.db2.gz ZKCUSDXKKPCMOV-RBUKOAKNSA-N 2 1 314.473 2.745 20 0 DFADMP Clc1sccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056301 428504110 /nfs/dbraw/zinc/50/41/10/428504110.db2.gz PVGHSHKZPNOARJ-UHFFFAOYSA-N 2 1 313.898 2.708 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372924250 428505832 /nfs/dbraw/zinc/50/58/32/428505832.db2.gz MSVQYGGEIWWELI-FHWLQOOXSA-N 2 1 302.462 2.707 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372924250 428505839 /nfs/dbraw/zinc/50/58/39/428505839.db2.gz MSVQYGGEIWWELI-FHWLQOOXSA-N 2 1 302.462 2.707 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059738 428507879 /nfs/dbraw/zinc/50/78/79/428507879.db2.gz YTKKBIKJGJTYNE-UKBAYJJMSA-N 2 1 301.478 2.739 20 0 DFADMP C[C@@H](c1ccccc1)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059738 428507884 /nfs/dbraw/zinc/50/78/84/428507884.db2.gz YTKKBIKJGJTYNE-UKBAYJJMSA-N 2 1 301.478 2.739 20 0 DFADMP C[C@@H](c1ccccc1)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059738 428507887 /nfs/dbraw/zinc/50/78/87/428507887.db2.gz YTKKBIKJGJTYNE-UKBAYJJMSA-N 2 1 301.478 2.739 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415068977 428508734 /nfs/dbraw/zinc/50/87/34/428508734.db2.gz RYJFRFPEUAUXCM-OAHLLOKOSA-N 2 1 322.449 2.710 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1CCCC1 ZINC000415069404 428509433 /nfs/dbraw/zinc/50/94/33/428509433.db2.gz SMKNKCSATSZYRK-MOPGFXCFSA-N 2 1 318.461 2.852 20 0 DFADMP FC(F)(F)COc1ccccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415072906 428509769 /nfs/dbraw/zinc/50/97/69/428509769.db2.gz XHQKSNCCKHEEOT-UHFFFAOYSA-N 2 1 302.340 2.859 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000360957823 428510217 /nfs/dbraw/zinc/51/02/17/428510217.db2.gz NYBIGAVVAGVINB-JYJNAYRXSA-N 2 1 311.514 2.780 20 0 DFADMP CC[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000397498223 428511929 /nfs/dbraw/zinc/51/19/29/428511929.db2.gz DDZXDJOECFOJPN-GBESFXJTSA-N 2 1 302.462 2.865 20 0 DFADMP CC[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000397498223 428511936 /nfs/dbraw/zinc/51/19/36/428511936.db2.gz DDZXDJOECFOJPN-GBESFXJTSA-N 2 1 302.462 2.865 20 0 DFADMP CC[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000397498223 428511941 /nfs/dbraw/zinc/51/19/41/428511941.db2.gz DDZXDJOECFOJPN-GBESFXJTSA-N 2 1 302.462 2.865 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415082899 428512538 /nfs/dbraw/zinc/51/25/38/428512538.db2.gz PAQBRQUYNQYJLM-OTWHNJEPSA-N 2 1 301.478 2.944 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000353386632 428514276 /nfs/dbraw/zinc/51/42/76/428514276.db2.gz MLKQHMXFWDAVIB-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000353386632 428514283 /nfs/dbraw/zinc/51/42/83/428514283.db2.gz MLKQHMXFWDAVIB-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP CC(C)C[C@H](N)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000415086105 428516508 /nfs/dbraw/zinc/51/65/08/428516508.db2.gz JESLGTFOBIAWFY-IBGZPJMESA-N 2 1 303.494 2.862 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)(C)n1cncn1 ZINC000353388425 428517235 /nfs/dbraw/zinc/51/72/35/428517235.db2.gz PTFCLYGLOMMULH-JKSUJKDBSA-N 2 1 307.486 2.646 20 0 DFADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000398078305 428519178 /nfs/dbraw/zinc/51/91/78/428519178.db2.gz GDTVCJGKLXLZKT-OALUTQOASA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000398078305 428519184 /nfs/dbraw/zinc/51/91/84/428519184.db2.gz GDTVCJGKLXLZKT-OALUTQOASA-N 2 1 303.494 2.875 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2ccsc2)CC1 ZINC000360974098 428519465 /nfs/dbraw/zinc/51/94/65/428519465.db2.gz DFMUZYGYGHZZMY-GOSISDBHSA-N 2 1 321.534 2.783 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415100788 428519728 /nfs/dbraw/zinc/51/97/28/428519728.db2.gz ALCJSAKGDVJFFN-PBHICJAKSA-N 2 1 312.461 2.906 20 0 DFADMP Cc1cccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000353404930 428522719 /nfs/dbraw/zinc/52/27/19/428522719.db2.gz NMTVZJKPZGDOCL-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)CCCO1 ZINC000415115659 428527429 /nfs/dbraw/zinc/52/74/29/428527429.db2.gz VDBBCEPSJKVTDQ-OAHLLOKOSA-N 2 1 302.443 2.965 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CCCO1 ZINC000415115659 428527434 /nfs/dbraw/zinc/52/74/34/428527434.db2.gz VDBBCEPSJKVTDQ-OAHLLOKOSA-N 2 1 302.443 2.965 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121963 428527679 /nfs/dbraw/zinc/52/76/79/428527679.db2.gz HWFPWWDPZPPKEU-GXTWGEPZSA-N 2 1 324.490 2.842 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121963 428527683 /nfs/dbraw/zinc/52/76/83/428527683.db2.gz HWFPWWDPZPPKEU-GXTWGEPZSA-N 2 1 324.490 2.842 20 0 DFADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000415126912 428530418 /nfs/dbraw/zinc/53/04/18/428530418.db2.gz MNMPWYIEHYHMDO-HNNXBMFYSA-N 2 1 321.375 2.512 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH2+]1 ZINC000414953508 428471443 /nfs/dbraw/zinc/47/14/43/428471443.db2.gz RSWVWWSCKKFANO-DGCLKSJQSA-N 2 1 310.825 2.731 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414959141 428471528 /nfs/dbraw/zinc/47/15/28/428471528.db2.gz PSCFKJWUYIAWHR-NOZJJQNGSA-N 2 1 301.203 2.676 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414955650 428472183 /nfs/dbraw/zinc/47/21/83/428472183.db2.gz MJNSEALXLQBKMG-KUHUBIRLSA-N 2 1 312.461 2.636 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390722032 428473612 /nfs/dbraw/zinc/47/36/12/428473612.db2.gz ZNCRZESJTLLCJC-BGVWBIDGSA-N 2 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390722032 428473615 /nfs/dbraw/zinc/47/36/15/428473615.db2.gz ZNCRZESJTLLCJC-BGVWBIDGSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390722032 428473621 /nfs/dbraw/zinc/47/36/21/428473621.db2.gz ZNCRZESJTLLCJC-BGVWBIDGSA-N 3 1 313.489 2.899 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000390627118 428474203 /nfs/dbraw/zinc/47/42/03/428474203.db2.gz MWIVJUUMIUHLMR-OIISXLGYSA-N 2 1 316.445 2.953 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000390627118 428474209 /nfs/dbraw/zinc/47/42/09/428474209.db2.gz MWIVJUUMIUHLMR-OIISXLGYSA-N 2 1 316.445 2.953 20 0 DFADMP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000390804771 428476272 /nfs/dbraw/zinc/47/62/72/428476272.db2.gz XTSNCHOOOAQPGN-UHFFFAOYSA-N 2 1 311.470 2.506 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414977806 428478010 /nfs/dbraw/zinc/47/80/10/428478010.db2.gz RXDWMYIRVWPALO-INIZCTEOSA-N 2 1 322.449 2.580 20 0 DFADMP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000361612874 428581764 /nfs/dbraw/zinc/58/17/64/428581764.db2.gz XZUAIVVZESKPIZ-CVEARBPZSA-N 2 1 309.498 2.665 20 0 DFADMP COC1(C[N@@H+](C)C[C@@H]2CCN(C)[C@@H]2c2cccnc2)CCCC1 ZINC000361610432 428582018 /nfs/dbraw/zinc/58/20/18/428582018.db2.gz MVJJTHYIEFJAEN-ZWKOTPCHSA-N 2 1 317.477 2.965 20 0 DFADMP C[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc[nH+]cc1Br ZINC000373462104 428582849 /nfs/dbraw/zinc/58/28/49/428582849.db2.gz QHHWMRMKTIBXLJ-KGLIPLIRSA-N 2 1 310.239 2.907 20 0 DFADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1c1cc[nH+]cc1Br ZINC000373462104 428582853 /nfs/dbraw/zinc/58/28/53/428582853.db2.gz QHHWMRMKTIBXLJ-KGLIPLIRSA-N 2 1 310.239 2.907 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343853567 428583416 /nfs/dbraw/zinc/58/34/16/428583416.db2.gz NTPOEXUJQNFNCK-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343853567 428583420 /nfs/dbraw/zinc/58/34/20/428583420.db2.gz NTPOEXUJQNFNCK-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343853567 428583423 /nfs/dbraw/zinc/58/34/23/428583423.db2.gz NTPOEXUJQNFNCK-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343853567 428583425 /nfs/dbraw/zinc/58/34/25/428583425.db2.gz NTPOEXUJQNFNCK-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343867910 428584931 /nfs/dbraw/zinc/58/49/31/428584931.db2.gz RBXJZMFXIWIHCC-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343867910 428584936 /nfs/dbraw/zinc/58/49/36/428584936.db2.gz RBXJZMFXIWIHCC-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343867910 428584938 /nfs/dbraw/zinc/58/49/38/428584938.db2.gz RBXJZMFXIWIHCC-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCC[C@@H](C)C1)c1ccccc1 ZINC000343867910 428584943 /nfs/dbraw/zinc/58/49/43/428584943.db2.gz RBXJZMFXIWIHCC-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CO[C@H]1C[C@H](CN(C)c2cc[nH+]c3cc(F)ccc32)[N@H+](C)C1 ZINC000343881032 428590861 /nfs/dbraw/zinc/59/08/61/428590861.db2.gz SEPYBJSIRRBJHR-KGLIPLIRSA-N 2 1 303.381 2.529 20 0 DFADMP CO[C@H]1C[C@H](CN(C)c2cc[nH+]c3cc(F)ccc32)[N@@H+](C)C1 ZINC000343881032 428590868 /nfs/dbraw/zinc/59/08/68/428590868.db2.gz SEPYBJSIRRBJHR-KGLIPLIRSA-N 2 1 303.381 2.529 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534137 /nfs/dbraw/zinc/53/41/37/428534137.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 2 1 313.489 2.723 20 0 DFADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534139 /nfs/dbraw/zinc/53/41/39/428534139.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 2 1 313.489 2.723 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534143 /nfs/dbraw/zinc/53/41/43/428534143.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534145 /nfs/dbraw/zinc/53/41/45/428534145.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353432880 428534148 /nfs/dbraw/zinc/53/41/48/428534148.db2.gz DAUUGWIXTHOOLE-ZRNYENFQSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353434986 428534605 /nfs/dbraw/zinc/53/46/05/428534605.db2.gz KRRYVAAVSDXTLZ-IPMKNSEASA-N 3 1 301.478 2.711 20 0 DFADMP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@@H]2CCC[C@H]21 ZINC000353434986 428534610 /nfs/dbraw/zinc/53/46/10/428534610.db2.gz KRRYVAAVSDXTLZ-IPMKNSEASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353434986 428534617 /nfs/dbraw/zinc/53/46/17/428534617.db2.gz KRRYVAAVSDXTLZ-IPMKNSEASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353434986 428534620 /nfs/dbraw/zinc/53/46/20/428534620.db2.gz KRRYVAAVSDXTLZ-IPMKNSEASA-N 2 1 301.478 2.711 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136693 428534800 /nfs/dbraw/zinc/53/48/00/428534800.db2.gz XOKDXIMLMLJIDM-RDJZCZTQSA-N 2 1 312.461 2.812 20 0 DFADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[NH2+]1 ZINC000399115715 428535810 /nfs/dbraw/zinc/53/58/10/428535810.db2.gz FWTQJHOOSFBEIN-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP CC[C@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415143884 428536666 /nfs/dbraw/zinc/53/66/66/428536666.db2.gz UFTPBGLOIBWHAK-QRQLOZEOSA-N 2 1 314.473 2.881 20 0 DFADMP CO[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000400156957 428543882 /nfs/dbraw/zinc/54/38/82/428543882.db2.gz FARAHDGFQSSZAQ-XUVXKRRUSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000400156957 428543887 /nfs/dbraw/zinc/54/38/87/428543887.db2.gz FARAHDGFQSSZAQ-XUVXKRRUSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)C1CC1 ZINC000400156957 428543892 /nfs/dbraw/zinc/54/38/92/428543892.db2.gz FARAHDGFQSSZAQ-XUVXKRRUSA-N 2 1 314.473 2.865 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000373307828 428545001 /nfs/dbraw/zinc/54/50/01/428545001.db2.gz YUQFZXWQPNVHIN-CRAIPNDOSA-N 2 1 318.465 2.702 20 0 DFADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478460 428547111 /nfs/dbraw/zinc/54/71/11/428547111.db2.gz VQDVMDHKUPBIGC-XAOHYQHJSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478460 428547115 /nfs/dbraw/zinc/54/71/15/428547115.db2.gz VQDVMDHKUPBIGC-XAOHYQHJSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478460 428547119 /nfs/dbraw/zinc/54/71/19/428547119.db2.gz VQDVMDHKUPBIGC-XAOHYQHJSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400734674 428548086 /nfs/dbraw/zinc/54/80/86/428548086.db2.gz JRKQJLPUCCPSPD-IHPCNDPISA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400734674 428548093 /nfs/dbraw/zinc/54/80/93/428548093.db2.gz JRKQJLPUCCPSPD-IHPCNDPISA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400734674 428548094 /nfs/dbraw/zinc/54/80/94/428548094.db2.gz JRKQJLPUCCPSPD-IHPCNDPISA-N 3 1 315.505 2.876 20 0 DFADMP C[N@@H+](C[C@H]1CCSC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373330230 428549668 /nfs/dbraw/zinc/54/96/68/428549668.db2.gz CWOIZPOUZMKFRH-MRXNPFEDSA-N 2 1 305.491 2.983 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000401004064 428550124 /nfs/dbraw/zinc/55/01/24/428550124.db2.gz ASJKKUQBLBUIDO-BTHPGYMESA-N 3 1 315.505 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N(C)Cc1ccccc1 ZINC000401004064 428550129 /nfs/dbraw/zinc/55/01/29/428550129.db2.gz ASJKKUQBLBUIDO-BTHPGYMESA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353465347 428551357 /nfs/dbraw/zinc/55/13/57/428551357.db2.gz SRQAWCXYPUCVRJ-APAFKAMOSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353465347 428551360 /nfs/dbraw/zinc/55/13/60/428551360.db2.gz SRQAWCXYPUCVRJ-APAFKAMOSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353465347 428551367 /nfs/dbraw/zinc/55/13/67/428551367.db2.gz SRQAWCXYPUCVRJ-APAFKAMOSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353465347 428551372 /nfs/dbraw/zinc/55/13/72/428551372.db2.gz SRQAWCXYPUCVRJ-APAFKAMOSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353465347 428551374 /nfs/dbraw/zinc/55/13/74/428551374.db2.gz SRQAWCXYPUCVRJ-APAFKAMOSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353465347 428551383 /nfs/dbraw/zinc/55/13/83/428551383.db2.gz SRQAWCXYPUCVRJ-APAFKAMOSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353465347 428551387 /nfs/dbraw/zinc/55/13/87/428551387.db2.gz SRQAWCXYPUCVRJ-APAFKAMOSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)[NH+](C/C=C\C[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409251 428564186 /nfs/dbraw/zinc/56/41/86/428564186.db2.gz UIQMLPWCKRSOLS-SPCWZHTESA-N 2 1 310.482 2.541 20 0 DFADMP CC(C)[NH+](C/C=C\C[N@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409251 428564193 /nfs/dbraw/zinc/56/41/93/428564193.db2.gz UIQMLPWCKRSOLS-SPCWZHTESA-N 2 1 310.482 2.541 20 0 DFADMP CC(C)[NH+](C/C=C\C[N@@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409251 428564197 /nfs/dbraw/zinc/56/41/97/428564197.db2.gz UIQMLPWCKRSOLS-SPCWZHTESA-N 2 1 310.482 2.541 20 0 DFADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC[NH3+] ZINC000404314473 428567325 /nfs/dbraw/zinc/56/73/25/428567325.db2.gz NIDKIBFBUZFMOJ-GVDBMIGSSA-N 2 1 317.477 2.625 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000353498747 428567507 /nfs/dbraw/zinc/56/75/07/428567507.db2.gz BLVMAXFSZVHFNQ-HSALFYBXSA-N 2 1 324.472 2.877 20 0 DFADMP CCN(C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CCCCC1 ZINC000404371341 428569102 /nfs/dbraw/zinc/56/91/02/428569102.db2.gz QZSMXZPGERYQLI-RDJZCZTQSA-N 2 1 309.498 2.617 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353515264 428573236 /nfs/dbraw/zinc/57/32/36/428573236.db2.gz DGNLMMDKTKEXMB-XWSJACJDSA-N 2 1 305.510 2.713 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353515264 428573243 /nfs/dbraw/zinc/57/32/43/428573243.db2.gz DGNLMMDKTKEXMB-XWSJACJDSA-N 2 1 305.510 2.713 20 0 DFADMP Cc1sccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000353520637 428574821 /nfs/dbraw/zinc/57/48/21/428574821.db2.gz OEAIKHCQRRBTDV-AWEZNQCLSA-N 2 1 307.507 2.657 20 0 DFADMP C[C@@H](CC1CCOCC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358044251 428576440 /nfs/dbraw/zinc/57/64/40/428576440.db2.gz IFNCRWCMNSROTA-YESZJQIVSA-N 2 1 312.498 2.671 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000343845840 428579536 /nfs/dbraw/zinc/57/95/36/428579536.db2.gz XRQKOOASWXMNRB-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP COc1ccc(CN(C)C[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000347581785 428610906 /nfs/dbraw/zinc/61/09/06/428610906.db2.gz HHHAEPLOFPVFJH-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1OC ZINC000347581785 428610913 /nfs/dbraw/zinc/61/09/13/428610913.db2.gz HHHAEPLOFPVFJH-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c(C)c1OC ZINC000347581785 428610918 /nfs/dbraw/zinc/61/09/18/428610918.db2.gz HHHAEPLOFPVFJH-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP CN(CCC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)CC[NH+](C)C ZINC000344033737 428614353 /nfs/dbraw/zinc/61/43/53/428614353.db2.gz QCSFNPLJKIWKTK-SFHVURJKSA-N 2 1 307.457 2.628 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@H+](CCCn1ccnc1C)CC2 ZINC000362098198 428620341 /nfs/dbraw/zinc/62/03/41/428620341.db2.gz KKOMZRRMIZGKOF-UHFFFAOYSA-N 2 1 311.429 2.885 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000362098198 428620353 /nfs/dbraw/zinc/62/03/53/428620353.db2.gz KKOMZRRMIZGKOF-UHFFFAOYSA-N 2 1 311.429 2.885 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000415903920 428621344 /nfs/dbraw/zinc/62/13/44/428621344.db2.gz RCASIHFFWXOSAN-LSDHHAIUSA-N 2 1 318.465 2.648 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)c1 ZINC000415907686 428623327 /nfs/dbraw/zinc/62/33/27/428623327.db2.gz BTGINYVHJMPCET-LSDHHAIUSA-N 2 1 318.465 2.743 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+](CC)C(C)C)c1 ZINC000415906027 428623363 /nfs/dbraw/zinc/62/33/63/428623363.db2.gz JLCZBMSVFNYDTL-UHFFFAOYSA-N 2 1 306.454 2.648 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000415912461 428624507 /nfs/dbraw/zinc/62/45/07/428624507.db2.gz LITAQHJJXJLUJN-PBHICJAKSA-N 2 1 318.465 2.600 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000415934603 428631419 /nfs/dbraw/zinc/63/14/19/428631419.db2.gz RPBBBKFKZPMEAZ-GJZGRUSLSA-N 2 1 318.465 2.790 20 0 DFADMP CCc1ncc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000353647420 428639229 /nfs/dbraw/zinc/63/92/29/428639229.db2.gz RZGJHXGKSPYIDI-UHFFFAOYSA-N 2 1 304.463 2.894 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000415976678 428639710 /nfs/dbraw/zinc/63/97/10/428639710.db2.gz WQJWXLUOENNXQY-QGZVFWFLSA-N 2 1 318.465 2.744 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000415973914 428640086 /nfs/dbraw/zinc/64/00/86/428640086.db2.gz PREOOYDJMYJOES-GJZGRUSLSA-N 2 1 318.465 2.790 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000415976532 428640288 /nfs/dbraw/zinc/64/02/88/428640288.db2.gz VWSQUDSCSGZRKE-INIZCTEOSA-N 2 1 318.465 2.602 20 0 DFADMP Cc1ccc(CCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cn1 ZINC000353654394 428641106 /nfs/dbraw/zinc/64/11/06/428641106.db2.gz VCLHFUFDDUKJST-IBGZPJMESA-N 2 1 301.478 2.986 20 0 DFADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000353654394 428641112 /nfs/dbraw/zinc/64/11/12/428641112.db2.gz VCLHFUFDDUKJST-IBGZPJMESA-N 2 1 301.478 2.986 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cn1 ZINC000353654394 428641117 /nfs/dbraw/zinc/64/11/17/428641117.db2.gz VCLHFUFDDUKJST-IBGZPJMESA-N 2 1 301.478 2.986 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)[C@H]2CCC[C@H]21 ZINC000353647231 428635670 /nfs/dbraw/zinc/63/56/70/428635670.db2.gz QZHVPNOTLKDBGF-NZSAHSFTSA-N 2 1 324.472 3.109 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348191061 428648578 /nfs/dbraw/zinc/64/85/78/428648578.db2.gz FLPRWZIQFOLXCC-BSWMADRKSA-N 2 1 302.462 2.814 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@H](c2ccco2)[NH+](C)C)CCCCC1 ZINC000358734490 428649454 /nfs/dbraw/zinc/64/94/54/428649454.db2.gz OVNNTXJAOSVHOR-OAHLLOKOSA-N 2 1 321.465 2.511 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1)CC(C)C ZINC000358746168 428652927 /nfs/dbraw/zinc/65/29/27/428652927.db2.gz QHDDQYCURAEMNW-MRXNPFEDSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000192094056 274239417 /nfs/dbraw/zinc/23/94/17/274239417.db2.gz QHELQHLETSKYQJ-OWCLPIDISA-N 2 1 317.477 2.661 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(-n2ccnc2)cc1 ZINC000279017193 274249405 /nfs/dbraw/zinc/24/94/05/274249405.db2.gz UJBQZMNPQJPZGC-CVEARBPZSA-N 2 1 321.428 2.982 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@H](C)C1 ZINC000348249787 428676052 /nfs/dbraw/zinc/67/60/52/428676052.db2.gz ZGWFPMMFJLOEFA-IKGGRYGDSA-N 2 1 314.539 2.856 20 0 DFADMP Cc1nnc([C@@H](C)[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)o1 ZINC000374296407 428672894 /nfs/dbraw/zinc/67/28/94/428672894.db2.gz NQUQKFOQIDTHSJ-TZMCWYRMSA-N 2 1 304.438 2.635 20 0 DFADMP Cc1nnc([C@@H](C)[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)o1 ZINC000374296407 428672897 /nfs/dbraw/zinc/67/28/97/428672897.db2.gz NQUQKFOQIDTHSJ-TZMCWYRMSA-N 2 1 304.438 2.635 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+](CC2CCC(C(F)(F)F)CC2)CC1 ZINC000344522540 428673067 /nfs/dbraw/zinc/67/30/67/428673067.db2.gz QYYVQZKYSKQJIG-UHFFFAOYSA-N 2 1 322.415 2.744 20 0 DFADMP COc1ccc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)nc1 ZINC000362239015 428673540 /nfs/dbraw/zinc/67/35/40/428673540.db2.gz ROVYFEIVOSLFFM-UHFFFAOYSA-N 2 1 312.417 2.586 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348305999 428700587 /nfs/dbraw/zinc/70/05/87/428700587.db2.gz LLCFWVXAOKAFPH-VAMGGRTRSA-N 2 1 313.489 2.535 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000348310508 428701922 /nfs/dbraw/zinc/70/19/22/428701922.db2.gz CFHVHNVWGKWJAL-BVGQSLNGSA-N 2 1 305.441 2.501 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000348310508 428701927 /nfs/dbraw/zinc/70/19/27/428701927.db2.gz CFHVHNVWGKWJAL-BVGQSLNGSA-N 2 1 305.441 2.501 20 0 DFADMP CC(C)(C)OCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348325386 428707960 /nfs/dbraw/zinc/70/79/60/428707960.db2.gz HSJIFZQONHDLQF-HDICACEKSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)(C)OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348325386 428707963 /nfs/dbraw/zinc/70/79/63/428707963.db2.gz HSJIFZQONHDLQF-HDICACEKSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)(C)OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000348325386 428707967 /nfs/dbraw/zinc/70/79/67/428707967.db2.gz HSJIFZQONHDLQF-HDICACEKSA-N 2 1 302.462 2.865 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4=CCCOC4)[C@H]3C2)cc1 ZINC000374605483 428710204 /nfs/dbraw/zinc/71/02/04/428710204.db2.gz PGAXWZXMADZFIO-SLFFLAALSA-N 2 1 312.457 2.833 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1=CCCCC1 ZINC000358869528 428713278 /nfs/dbraw/zinc/71/32/78/428713278.db2.gz FLELOKYJTZEQQP-SFHVURJKSA-N 2 1 321.509 2.751 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1 ZINC000353794815 428720082 /nfs/dbraw/zinc/72/00/82/428720082.db2.gz LSMHSDZFLLIOLB-NRFANRHFSA-N 2 1 308.491 2.528 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCC[C@@H](C)[NH+](C)Cc2ccccc2)C1 ZINC000344619678 428683371 /nfs/dbraw/zinc/68/33/71/428683371.db2.gz XDKWLNRFMHKVSU-YQVWRLOYSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NCC[C@@H](C)[N@H+](C)Cc2ccccc2)C1 ZINC000344619678 428683373 /nfs/dbraw/zinc/68/33/73/428683373.db2.gz XDKWLNRFMHKVSU-YQVWRLOYSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000344619678 428683378 /nfs/dbraw/zinc/68/33/78/428683378.db2.gz XDKWLNRFMHKVSU-YQVWRLOYSA-N 2 1 303.494 2.827 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000348262137 428684010 /nfs/dbraw/zinc/68/40/10/428684010.db2.gz NHVNXXFFQWSMJH-KVZIAJEVSA-N 2 1 302.462 2.617 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000348262137 428684016 /nfs/dbraw/zinc/68/40/16/428684016.db2.gz NHVNXXFFQWSMJH-KVZIAJEVSA-N 2 1 302.462 2.617 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000344619292 428684270 /nfs/dbraw/zinc/68/42/70/428684270.db2.gz QGARFYOYXFKATL-CQSZACIVSA-N 2 1 323.506 2.660 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344619292 428684278 /nfs/dbraw/zinc/68/42/78/428684278.db2.gz QGARFYOYXFKATL-CQSZACIVSA-N 2 1 323.506 2.660 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2Cc2cnc(N(C)C)n2C)cc1 ZINC000362287434 428689301 /nfs/dbraw/zinc/68/93/01/428689301.db2.gz USETZDVYNWKTGU-QGZVFWFLSA-N 2 1 314.433 2.832 20 0 DFADMP COc1ccc([C@H]2CCCN2Cc2cnc(N(C)C)n2C)cc1 ZINC000362287434 428689306 /nfs/dbraw/zinc/68/93/06/428689306.db2.gz USETZDVYNWKTGU-QGZVFWFLSA-N 2 1 314.433 2.832 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)c(F)c2)C[C@H]1C ZINC000362481482 428763111 /nfs/dbraw/zinc/76/31/11/428763111.db2.gz XDRBIKNWGSHPGV-HIFRSBDPSA-N 2 1 322.424 2.917 20 0 DFADMP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000358997561 428765789 /nfs/dbraw/zinc/76/57/89/428765789.db2.gz VJOQOZJJHLWYOE-HNNXBMFYSA-N 2 1 320.820 2.789 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000358997561 428765792 /nfs/dbraw/zinc/76/57/92/428765792.db2.gz VJOQOZJJHLWYOE-HNNXBMFYSA-N 2 1 320.820 2.789 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@H](OCc2csc(C)n2)C1 ZINC000374853691 428766100 /nfs/dbraw/zinc/76/61/00/428766100.db2.gz GNMKVSJNVDIXSS-MRXNPFEDSA-N 2 1 311.495 2.774 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](OCc2csc(C)n2)C1 ZINC000374853691 428766104 /nfs/dbraw/zinc/76/61/04/428766104.db2.gz GNMKVSJNVDIXSS-MRXNPFEDSA-N 2 1 311.495 2.774 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000374873481 428769586 /nfs/dbraw/zinc/76/95/86/428769586.db2.gz HNRKHAOIKQQHCH-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000374873481 428769592 /nfs/dbraw/zinc/76/95/92/428769592.db2.gz HNRKHAOIKQQHCH-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)CC(C)C ZINC000359014552 428772158 /nfs/dbraw/zinc/77/21/58/428772158.db2.gz VDCSPFRGCYLDJG-GOSISDBHSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1)CC(C)C ZINC000359014552 428772165 /nfs/dbraw/zinc/77/21/65/428772165.db2.gz VDCSPFRGCYLDJG-GOSISDBHSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1)CC(C)C ZINC000359014552 428772168 /nfs/dbraw/zinc/77/21/68/428772168.db2.gz VDCSPFRGCYLDJG-GOSISDBHSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H](C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374878154 428773262 /nfs/dbraw/zinc/77/32/62/428773262.db2.gz QNFZGUHIKIBWQW-AZUAARDMSA-N 2 1 315.505 2.892 20 0 DFADMP C[C@@H](C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374878154 428773264 /nfs/dbraw/zinc/77/32/64/428773264.db2.gz QNFZGUHIKIBWQW-AZUAARDMSA-N 2 1 315.505 2.892 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000353915739 428774456 /nfs/dbraw/zinc/77/44/56/428774456.db2.gz OCAFIVWONODFJB-SYJJWHGVSA-N 2 1 308.466 2.572 20 0 DFADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CCC[C@@H]1O ZINC000348542880 428779630 /nfs/dbraw/zinc/77/96/30/428779630.db2.gz DZJCXBTZJSUOTH-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[C@@H]1O ZINC000348542880 428779637 /nfs/dbraw/zinc/77/96/37/428779637.db2.gz DZJCXBTZJSUOTH-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348542880 428779642 /nfs/dbraw/zinc/77/96/42/428779642.db2.gz DZJCXBTZJSUOTH-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000348542880 428779647 /nfs/dbraw/zinc/77/96/47/428779647.db2.gz DZJCXBTZJSUOTH-MSOLQXFVSA-N 2 1 304.478 2.990 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000353929415 428781990 /nfs/dbraw/zinc/78/19/90/428781990.db2.gz MECBSLUZHDPIBG-GARNVTTQSA-N 2 1 308.466 2.715 20 0 DFADMP C[C@@H]1C[C@@H]1C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000348561782 428790136 /nfs/dbraw/zinc/79/01/36/428790136.db2.gz YAOQXGCLVUDRDA-RLLQIKCJSA-N 2 1 313.489 2.535 20 0 DFADMP CNC(=O)CCC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411404530 428791273 /nfs/dbraw/zinc/79/12/73/428791273.db2.gz XBAXQLFOHPLDPG-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N1CCC(C[NH+](CC)CC)CC1 ZINC000358925493 428735171 /nfs/dbraw/zinc/73/51/71/428735171.db2.gz FFJMMAAEIZNOIQ-UHFFFAOYSA-N 2 1 319.449 2.817 20 0 DFADMP C[C@@H]([NH2+]CCC1CC(O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348417456 428737971 /nfs/dbraw/zinc/73/79/71/428737971.db2.gz UNHDCQZJXOOJBQ-IZIZEDOESA-N 2 1 302.462 2.648 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000358936968 428738471 /nfs/dbraw/zinc/73/84/71/428738471.db2.gz MNTCDIDXWOZATQ-SFHVURJKSA-N 2 1 312.461 2.909 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000358936968 428738476 /nfs/dbraw/zinc/73/84/76/428738476.db2.gz MNTCDIDXWOZATQ-SFHVURJKSA-N 2 1 312.461 2.909 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1F ZINC000348424112 428741577 /nfs/dbraw/zinc/74/15/77/428741577.db2.gz QFAZKBFMSQEOMV-GJZGRUSLSA-N 2 1 324.440 2.986 20 0 DFADMP CC(C)C[N@@H+](CC(N)=O)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411163483 428751858 /nfs/dbraw/zinc/75/18/58/428751858.db2.gz JFORLVOOYLVOMK-UHFFFAOYSA-N 2 1 317.477 2.616 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000417044285 428845353 /nfs/dbraw/zinc/84/53/53/428845353.db2.gz XVNTVTIMXIUZDZ-RDJZCZTQSA-N 2 1 324.513 2.552 20 0 DFADMP CC[NH+](CC[C@H](C)CC[N@H+](CC)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000411750815 428852167 /nfs/dbraw/zinc/85/21/67/428852167.db2.gz ZTSXTMYLMLGWOB-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP CC[NH+](CC[C@@H](C)CC[N@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000411750815 428852171 /nfs/dbraw/zinc/85/21/71/428852171.db2.gz ZTSXTMYLMLGWOB-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP CC[NH+](CC[C@@H](C)CC[N@@H+](CC)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000411750815 428852175 /nfs/dbraw/zinc/85/21/75/428852175.db2.gz ZTSXTMYLMLGWOB-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP OC[C@@H]1CSCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411427967 428796438 /nfs/dbraw/zinc/79/64/38/428796438.db2.gz PIFXWRGIBNYZJV-GOSISDBHSA-N 2 1 320.502 2.582 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632262 428799540 /nfs/dbraw/zinc/79/95/40/428799540.db2.gz DFJGFABXWKSDRY-IEBWSBKVSA-N 2 1 320.477 2.744 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632262 428799546 /nfs/dbraw/zinc/79/95/46/428799546.db2.gz DFJGFABXWKSDRY-IEBWSBKVSA-N 2 1 320.477 2.744 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632262 428799551 /nfs/dbraw/zinc/79/95/51/428799551.db2.gz DFJGFABXWKSDRY-IEBWSBKVSA-N 2 1 320.477 2.744 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000359067289 428801607 /nfs/dbraw/zinc/80/16/07/428801607.db2.gz VWXKEDKWJWRWRT-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411497273 428805465 /nfs/dbraw/zinc/80/54/65/428805465.db2.gz ODPJGJXEOHEJJH-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]12 ZINC000411499586 428806472 /nfs/dbraw/zinc/80/64/72/428806472.db2.gz DERRIAIANLXDQK-VAMGGRTRSA-N 2 1 314.473 2.875 20 0 DFADMP C[C@@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411510915 428808179 /nfs/dbraw/zinc/80/81/79/428808179.db2.gz HLWLTVDTEDQSHR-KSFYIVLOSA-N 2 1 322.518 2.871 20 0 DFADMP C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411510915 428808182 /nfs/dbraw/zinc/80/81/82/428808182.db2.gz HLWLTVDTEDQSHR-KSFYIVLOSA-N 2 1 322.518 2.871 20 0 DFADMP CCCNC(=O)CCC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518629 428811643 /nfs/dbraw/zinc/81/16/43/428811643.db2.gz PVVSJTFJHNAMLV-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000375171242 428816407 /nfs/dbraw/zinc/81/64/07/428816407.db2.gz NMCVMRQBPWRWPH-SJORKVTESA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000375171242 428816410 /nfs/dbraw/zinc/81/64/10/428816410.db2.gz NMCVMRQBPWRWPH-SJORKVTESA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000375171242 428816415 /nfs/dbraw/zinc/81/64/15/428816415.db2.gz NMCVMRQBPWRWPH-SJORKVTESA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000375171242 428816419 /nfs/dbraw/zinc/81/64/19/428816419.db2.gz NMCVMRQBPWRWPH-SJORKVTESA-N 2 1 321.465 2.757 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)CCN1Cc1ccccc1 ZINC000359102404 428817664 /nfs/dbraw/zinc/81/76/64/428817664.db2.gz GINYLYPPFAXGRV-DOTOQJQBSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@@H]1O ZINC000411562755 428817778 /nfs/dbraw/zinc/81/77/78/428817778.db2.gz BYISKQJHJBYHEL-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(OC(F)F)c1 ZINC000362951141 428818526 /nfs/dbraw/zinc/81/85/26/428818526.db2.gz CQNCFCWSACHDIN-LBPRGKRZSA-N 2 1 323.343 2.598 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](CCC3(O)CCC3)C1)CCCC2 ZINC000411578555 428819826 /nfs/dbraw/zinc/81/98/26/428819826.db2.gz SMAKMGQSBNBLBB-OAHLLOKOSA-N 2 1 303.450 2.622 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCC3(O)CCC3)C1)CCCC2 ZINC000411578555 428819830 /nfs/dbraw/zinc/81/98/30/428819830.db2.gz SMAKMGQSBNBLBB-OAHLLOKOSA-N 2 1 303.450 2.622 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCC3(O)CCC3)C1)CCCC2 ZINC000411578555 428819835 /nfs/dbraw/zinc/81/98/35/428819835.db2.gz SMAKMGQSBNBLBB-OAHLLOKOSA-N 2 1 303.450 2.622 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117264 428824354 /nfs/dbraw/zinc/82/43/54/428824354.db2.gz SFRMQAJNIVDHAN-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117264 428824361 /nfs/dbraw/zinc/82/43/61/428824361.db2.gz SFRMQAJNIVDHAN-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117264 428824364 /nfs/dbraw/zinc/82/43/64/428824364.db2.gz SFRMQAJNIVDHAN-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359119201 428825343 /nfs/dbraw/zinc/82/53/43/428825343.db2.gz WWTWATKVUMOKRM-DLBZAZTESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1[C@@H](CO)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655146 428834610 /nfs/dbraw/zinc/83/46/10/428834610.db2.gz IRJNUZVFKSSLAE-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP CCSCC[N@@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000375267693 428837383 /nfs/dbraw/zinc/83/73/83/428837383.db2.gz WZNROHREXRYMDW-DOTOQJQBSA-N 2 1 324.538 2.878 20 0 DFADMP CC(C)C(C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000375273059 428841312 /nfs/dbraw/zinc/84/13/12/428841312.db2.gz WQWQNVCVNYWTKI-HKUYNNGSSA-N 2 1 309.542 2.872 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000354065522 428845229 /nfs/dbraw/zinc/84/52/29/428845229.db2.gz RBYZGEOXUKUIFB-RYQLBKOJSA-N 2 1 323.525 2.780 20 0 DFADMP c1c[nH]c(CN2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000363323863 428906142 /nfs/dbraw/zinc/90/61/42/428906142.db2.gz FOTMUKRJMBPFJU-IBGZPJMESA-N 2 1 310.445 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000354088907 428856900 /nfs/dbraw/zinc/85/69/00/428856900.db2.gz WBYDYRUCMJGZTM-GOSISDBHSA-N 2 1 320.477 2.936 20 0 DFADMP CCC[N@H+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000348864422 428863042 /nfs/dbraw/zinc/86/30/42/428863042.db2.gz FCVMBDMVWXOWCQ-KRWDZBQOSA-N 2 1 317.477 2.624 20 0 DFADMP CCC[N@@H+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000348864422 428863045 /nfs/dbraw/zinc/86/30/45/428863045.db2.gz FCVMBDMVWXOWCQ-KRWDZBQOSA-N 2 1 317.477 2.624 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c[nH]nc2C(C)(C)C)C1 ZINC000354105862 428864449 /nfs/dbraw/zinc/86/44/49/428864449.db2.gz FMTUGGXYUUHBPN-MRXNPFEDSA-N 2 1 322.497 2.640 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354107738 428866082 /nfs/dbraw/zinc/86/60/82/428866082.db2.gz SDPKFWUZPHIBHX-INIZCTEOSA-N 2 1 318.509 2.709 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000354107738 428866085 /nfs/dbraw/zinc/86/60/85/428866085.db2.gz SDPKFWUZPHIBHX-INIZCTEOSA-N 2 1 318.509 2.709 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000354107738 428866087 /nfs/dbraw/zinc/86/60/87/428866087.db2.gz SDPKFWUZPHIBHX-INIZCTEOSA-N 2 1 318.509 2.709 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354107738 428866090 /nfs/dbraw/zinc/86/60/90/428866090.db2.gz SDPKFWUZPHIBHX-INIZCTEOSA-N 2 1 318.509 2.709 20 0 DFADMP Cn1cc(C[C@H]2CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)cn1 ZINC000363134857 428867265 /nfs/dbraw/zinc/86/72/65/428867265.db2.gz MGUBAAHDGCLABZ-QGZVFWFLSA-N 2 1 321.428 2.670 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359226047 428875694 /nfs/dbraw/zinc/87/56/94/428875694.db2.gz VPFDNQILOHTYNC-IEBWSBKVSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226047 428875700 /nfs/dbraw/zinc/87/57/00/428875700.db2.gz VPFDNQILOHTYNC-IEBWSBKVSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226047 428875706 /nfs/dbraw/zinc/87/57/06/428875706.db2.gz VPFDNQILOHTYNC-IEBWSBKVSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418133816 428884832 /nfs/dbraw/zinc/88/48/32/428884832.db2.gz LJISZFKOPDNLSP-RDJZCZTQSA-N 2 1 324.513 2.600 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(OC)cc1 ZINC000349034694 428903930 /nfs/dbraw/zinc/90/39/30/428903930.db2.gz FGYDQPOWAJKBPR-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000349040481 428905237 /nfs/dbraw/zinc/90/52/37/428905237.db2.gz ASCNIEVQWVRNLQ-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000349040481 428905243 /nfs/dbraw/zinc/90/52/43/428905243.db2.gz ASCNIEVQWVRNLQ-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000349040481 428905247 /nfs/dbraw/zinc/90/52/47/428905247.db2.gz ASCNIEVQWVRNLQ-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP Cc1cc(C)n([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000363458702 428918475 /nfs/dbraw/zinc/91/84/75/428918475.db2.gz AECQGPNUMJHFGW-QGZVFWFLSA-N 2 1 301.438 2.732 20 0 DFADMP Cc1cc(C)n([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000363458702 428918476 /nfs/dbraw/zinc/91/84/76/428918476.db2.gz AECQGPNUMJHFGW-QGZVFWFLSA-N 2 1 301.438 2.732 20 0 DFADMP Cc1ncc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000363459309 428920627 /nfs/dbraw/zinc/92/06/27/428920627.db2.gz JXKVDHWRHFECDC-UHFFFAOYSA-N 2 1 302.447 2.947 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222008 428922964 /nfs/dbraw/zinc/92/29/64/428922964.db2.gz IGHKKKFCAOQOOX-RHSMWYFYSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222008 428922969 /nfs/dbraw/zinc/92/29/69/428922969.db2.gz IGHKKKFCAOQOOX-RHSMWYFYSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222008 428922975 /nfs/dbraw/zinc/92/29/75/428922975.db2.gz IGHKKKFCAOQOOX-RHSMWYFYSA-N 2 1 321.440 2.959 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000349115841 428923216 /nfs/dbraw/zinc/92/32/16/428923216.db2.gz DZISJCGOOBIXAO-OKZBNKHCSA-N 2 1 323.525 2.735 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354225374 428925006 /nfs/dbraw/zinc/92/50/06/428925006.db2.gz RLIRFJGQLHTZFO-ZACQAIPSSA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)C2CCC(C)CC2)C[C@H]1C ZINC000354224923 428927191 /nfs/dbraw/zinc/92/71/91/428927191.db2.gz OWZZDQNQRVNIAM-GPQLOAJWSA-N 2 1 323.525 2.828 20 0 DFADMP Cc1nccc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n1 ZINC000375698840 428945046 /nfs/dbraw/zinc/94/50/46/428945046.db2.gz VEHNNQGZDYYNJA-OAHLLOKOSA-N 2 1 311.433 2.697 20 0 DFADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCCCF)CC2)CC1 ZINC000375714741 428951629 /nfs/dbraw/zinc/95/16/29/428951629.db2.gz QPGIMXBHUFGZSS-UHFFFAOYSA-N 2 1 313.505 2.864 20 0 DFADMP C[N@H+](CCCCF)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375714741 428951631 /nfs/dbraw/zinc/95/16/31/428951631.db2.gz QPGIMXBHUFGZSS-UHFFFAOYSA-N 3 1 313.505 2.864 20 0 DFADMP C[N@@H+](CCCCF)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375714741 428951636 /nfs/dbraw/zinc/95/16/36/428951636.db2.gz QPGIMXBHUFGZSS-UHFFFAOYSA-N 3 1 313.505 2.864 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762483 428963854 /nfs/dbraw/zinc/96/38/54/428963854.db2.gz YNBCUDPBDSQWQI-WFVVYAPDSA-N 2 1 308.853 2.930 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762483 428963859 /nfs/dbraw/zinc/96/38/59/428963859.db2.gz YNBCUDPBDSQWQI-WFVVYAPDSA-N 2 1 308.853 2.930 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762483 428963866 /nfs/dbraw/zinc/96/38/66/428963866.db2.gz YNBCUDPBDSQWQI-WFVVYAPDSA-N 2 1 308.853 2.930 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762483 428963872 /nfs/dbraw/zinc/96/38/72/428963872.db2.gz YNBCUDPBDSQWQI-WFVVYAPDSA-N 2 1 308.853 2.930 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC000423556141 428970500 /nfs/dbraw/zinc/97/05/00/428970500.db2.gz MMZHBQPDIQMRMM-WTGUMLROSA-N 3 1 313.489 2.914 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354874608 429017548 /nfs/dbraw/zinc/01/75/48/429017548.db2.gz ACRZXCRFWGCPSX-HZPDHXFCSA-N 2 1 321.509 2.654 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421711684 429018432 /nfs/dbraw/zinc/01/84/32/429018432.db2.gz PBWBYKVACPYAHC-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP Clc1cc2c(c(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)c1)OCC2 ZINC000375950374 429026578 /nfs/dbraw/zinc/02/65/78/429026578.db2.gz WYMHIFZTXLTZMU-GFCCVEGCSA-N 2 1 317.820 2.824 20 0 DFADMP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000423822870 429031215 /nfs/dbraw/zinc/03/12/15/429031215.db2.gz JBRXQAQWYHBMDH-QLFBSQMISA-N 2 1 323.868 2.575 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000423822870 429031217 /nfs/dbraw/zinc/03/12/17/429031217.db2.gz JBRXQAQWYHBMDH-QLFBSQMISA-N 2 1 323.868 2.575 20 0 DFADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000423822875 429031399 /nfs/dbraw/zinc/03/13/99/429031399.db2.gz JBRXQAQWYHBMDH-SOUVJXGZSA-N 2 1 323.868 2.575 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1ccc(Cl)cc1 ZINC000423822875 429031404 /nfs/dbraw/zinc/03/14/04/429031404.db2.gz JBRXQAQWYHBMDH-SOUVJXGZSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000375816061 428984329 /nfs/dbraw/zinc/98/43/29/428984329.db2.gz QMBWIHJCKXZRRU-IKGGRYGDSA-N 2 1 321.509 2.630 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC(c2ccccc2)C1 ZINC000433085628 428992445 /nfs/dbraw/zinc/99/24/45/428992445.db2.gz WZCGYEUPSRNUCK-WBFXSEPVSA-N 2 1 314.473 2.759 20 0 DFADMP COCC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000375839301 428993638 /nfs/dbraw/zinc/99/36/38/428993638.db2.gz IAOFNYSSUQBNCB-CVEARBPZSA-N 2 1 303.381 2.704 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)n1 ZINC000363791591 428994188 /nfs/dbraw/zinc/99/41/88/428994188.db2.gz TXPNALLYMJSDBD-UWWQBHOKSA-N 3 1 316.493 2.677 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000375855039 428999720 /nfs/dbraw/zinc/99/97/20/428999720.db2.gz YAWSAGKSSUVGMN-GUDVDZBRSA-N 2 1 318.461 2.927 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000423721068 429004111 /nfs/dbraw/zinc/00/41/11/429004111.db2.gz BKEGRIRVKWPCHK-RZFLPCETSA-N 2 1 321.509 2.758 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000421681648 429009939 /nfs/dbraw/zinc/00/99/39/429009939.db2.gz YOXSYEKONOWJAB-DAWZGUTISA-N 2 1 317.477 2.668 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H]2CCC[C@H]21 ZINC000375898368 429011560 /nfs/dbraw/zinc/01/15/60/429011560.db2.gz RRDLMKASRWLVBO-FGTMMUONSA-N 2 1 302.462 2.876 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375903144 429013404 /nfs/dbraw/zinc/01/34/04/429013404.db2.gz HDBZPAMINLMBAX-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1nc2c(s1)CCCC2 ZINC000423462983 429090922 /nfs/dbraw/zinc/09/09/22/429090922.db2.gz AGTIZQKJIHXCMW-QWRGUYRKSA-N 2 1 315.433 2.917 20 0 DFADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423466285 429092348 /nfs/dbraw/zinc/09/23/48/429092348.db2.gz NHZWTDWIAGHJHK-WJFTUGDTSA-N 2 1 301.478 2.757 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423463080 429092534 /nfs/dbraw/zinc/09/25/34/429092534.db2.gz AJXFLTKNACMFLZ-UAGQMJEPSA-N 2 1 324.415 2.989 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000434503828 429093207 /nfs/dbraw/zinc/09/32/07/429093207.db2.gz QRSFUJYLYYWMMM-FQEVSTJZSA-N 2 1 324.472 2.863 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000434503828 429093210 /nfs/dbraw/zinc/09/32/10/429093210.db2.gz QRSFUJYLYYWMMM-FQEVSTJZSA-N 2 1 324.472 2.863 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000434503828 429093215 /nfs/dbraw/zinc/09/32/15/429093215.db2.gz QRSFUJYLYYWMMM-FQEVSTJZSA-N 2 1 324.472 2.863 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000434503828 429093219 /nfs/dbraw/zinc/09/32/19/429093219.db2.gz QRSFUJYLYYWMMM-FQEVSTJZSA-N 2 1 324.472 2.863 20 0 DFADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423481102 429094022 /nfs/dbraw/zinc/09/40/22/429094022.db2.gz PSQCIVVPLXCNFC-QWRGUYRKSA-N 2 1 315.433 2.917 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccnn1-c1ccccc1 ZINC000423473396 429095476 /nfs/dbraw/zinc/09/54/76/429095476.db2.gz ISAXBEXRXBMBGL-KGLIPLIRSA-N 2 1 320.387 2.768 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000452008192 429037178 /nfs/dbraw/zinc/03/71/78/429037178.db2.gz SHXQDQUQGYTWQC-ROUUACIJSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C(=O)OC)[C@H](c2ccccc2)C1 ZINC000452008192 429037183 /nfs/dbraw/zinc/03/71/83/429037183.db2.gz SHXQDQUQGYTWQC-ROUUACIJSA-N 2 1 318.461 2.607 20 0 DFADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000421835327 429038945 /nfs/dbraw/zinc/03/89/45/429038945.db2.gz PSYCXGIQDNEGKC-SJORKVTESA-N 2 1 312.498 2.551 20 0 DFADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000355390450 429044484 /nfs/dbraw/zinc/04/44/84/429044484.db2.gz GAYXLYXLDJGNLO-UHFFFAOYSA-N 2 1 321.509 2.630 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2O1 ZINC000424129013 429096731 /nfs/dbraw/zinc/09/67/31/429096731.db2.gz FVBBIUPKPGXSAH-OLZOCXBDSA-N 2 1 310.344 2.725 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2O1 ZINC000424129013 429096737 /nfs/dbraw/zinc/09/67/37/429096737.db2.gz FVBBIUPKPGXSAH-OLZOCXBDSA-N 2 1 310.344 2.725 20 0 DFADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278037 429055666 /nfs/dbraw/zinc/05/56/66/429055666.db2.gz QKAYFJYRXGVGST-BLLLJJGKSA-N 2 1 304.438 2.604 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000423287525 429057088 /nfs/dbraw/zinc/05/70/88/429057088.db2.gz MTWPFXLMQLCPMB-QGZVFWFLSA-N 2 1 303.450 2.587 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000423296649 429057208 /nfs/dbraw/zinc/05/72/08/429057208.db2.gz HFVUMKWAKBSGKC-AEFFLSMTSA-N 2 1 303.450 2.587 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423285673 429057255 /nfs/dbraw/zinc/05/72/55/429057255.db2.gz ZNCRZESJTLLCJC-FSGKZVOOSA-N 2 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423285673 429057258 /nfs/dbraw/zinc/05/72/58/429057258.db2.gz ZNCRZESJTLLCJC-FSGKZVOOSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423285673 429057261 /nfs/dbraw/zinc/05/72/61/429057261.db2.gz ZNCRZESJTLLCJC-FSGKZVOOSA-N 3 1 313.489 2.899 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000423296650 429058120 /nfs/dbraw/zinc/05/81/20/429058120.db2.gz HFVUMKWAKBSGKC-FUHWJXTLSA-N 2 1 303.450 2.587 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423294425 429058621 /nfs/dbraw/zinc/05/86/21/429058621.db2.gz BVLJMEPSRLIBJH-KSSFIOAISA-N 2 1 305.466 2.533 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423309587 429059469 /nfs/dbraw/zinc/05/94/69/429059469.db2.gz QGVOFFCCGMCCCI-DNVCBOLYSA-N 2 1 323.440 2.711 20 0 DFADMP CSC[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(C(F)(F)F)cc1 ZINC000423301280 429060943 /nfs/dbraw/zinc/06/09/43/429060943.db2.gz HBTCIYDEBRJRDP-ZDUSSCGKSA-N 2 1 304.381 2.919 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423303345 429060977 /nfs/dbraw/zinc/06/09/77/429060977.db2.gz WXKWBYWODVTGGJ-QRQLOZEOSA-N 2 1 319.493 2.556 20 0 DFADMP CCC[NH2+]CC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423310786 429061105 /nfs/dbraw/zinc/06/11/05/429061105.db2.gz OKXRKLBELCFNKY-HNNXBMFYSA-N 2 1 311.267 2.896 20 0 DFADMP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CC3C[NH2+]C3)s2)cc1 ZINC000423305524 429061422 /nfs/dbraw/zinc/06/14/22/429061422.db2.gz QXUIQYKOIHSXDV-NSHDSACASA-N 2 1 317.458 2.997 20 0 DFADMP [NH3+]C1(C[NH2+][C@@H]2CCc3sc(Br)cc32)CCC1 ZINC000423317127 429061680 /nfs/dbraw/zinc/06/16/80/429061680.db2.gz CHPVSGCRAJIHFN-SECBINFHSA-N 2 1 301.253 2.969 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423322331 429061694 /nfs/dbraw/zinc/06/16/94/429061694.db2.gz IFRCMZYYERQIHR-IPMKNSEASA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423322331 429061698 /nfs/dbraw/zinc/06/16/98/429061698.db2.gz IFRCMZYYERQIHR-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423320391 429062123 /nfs/dbraw/zinc/06/21/23/429062123.db2.gz GEZQIFYHNFBUST-CQSZACIVSA-N 2 1 314.433 2.531 20 0 DFADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000423319608 429062439 /nfs/dbraw/zinc/06/24/39/429062439.db2.gz LTMVFRDIJRTSBN-ZIAGYGMSSA-N 2 1 313.214 2.902 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423318085 429062906 /nfs/dbraw/zinc/06/29/06/429062906.db2.gz CAVVNDUQFCTEEH-APWZRJJASA-N 2 1 312.461 2.972 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423485544 429097035 /nfs/dbraw/zinc/09/70/35/429097035.db2.gz AVMQIBIWRANDPE-SMDDNHRTSA-N 2 1 302.340 2.735 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@]2(C)CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423326551 429065078 /nfs/dbraw/zinc/06/50/78/429065078.db2.gz CKLVIOUFXQVXDQ-OTWHNJEPSA-N 2 1 301.478 2.801 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423326551 429065081 /nfs/dbraw/zinc/06/50/81/429065081.db2.gz CKLVIOUFXQVXDQ-OTWHNJEPSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423323519 429066358 /nfs/dbraw/zinc/06/63/58/429066358.db2.gz HZMRQHGFJTWWEU-SJLPKXTDSA-N 2 1 323.525 2.912 20 0 DFADMP C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423337007 429068587 /nfs/dbraw/zinc/06/85/87/429068587.db2.gz VGNDRAPNITXKKE-CABCVRRESA-N 2 1 324.428 2.911 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423347884 429069641 /nfs/dbraw/zinc/06/96/41/429069641.db2.gz SCDOEALTIIQVMH-FYQPLNBISA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423347884 429069643 /nfs/dbraw/zinc/06/96/43/429069643.db2.gz SCDOEALTIIQVMH-FYQPLNBISA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423347884 429069648 /nfs/dbraw/zinc/06/96/48/429069648.db2.gz SCDOEALTIIQVMH-FYQPLNBISA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000423343728 429069915 /nfs/dbraw/zinc/06/99/15/429069915.db2.gz XDKJXSABGZSVPN-VYDXJSESSA-N 2 1 309.498 2.521 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423359467 429072305 /nfs/dbraw/zinc/07/23/05/429072305.db2.gz KOJHAUTUDNXDAI-HGTKMLMNSA-N 2 1 306.450 2.783 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423369100 429074704 /nfs/dbraw/zinc/07/47/04/429074704.db2.gz SIVRURZWTJKHOL-HLLBOEOZSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423364670 429075546 /nfs/dbraw/zinc/07/55/46/429075546.db2.gz CRXQRPNIGBONIC-PKOFMYQESA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423364670 429075551 /nfs/dbraw/zinc/07/55/51/429075551.db2.gz CRXQRPNIGBONIC-PKOFMYQESA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423364670 429075555 /nfs/dbraw/zinc/07/55/55/429075555.db2.gz CRXQRPNIGBONIC-PKOFMYQESA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423382252 429076133 /nfs/dbraw/zinc/07/61/33/429076133.db2.gz OTGUPKBTVWHJKK-QFHJOOASSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423395700 429078433 /nfs/dbraw/zinc/07/84/33/429078433.db2.gz NLMNQKOFERUJJX-JLSDUUJJSA-N 2 1 310.445 2.837 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000423384020 429078696 /nfs/dbraw/zinc/07/86/96/429078696.db2.gz PXGKJQVEGNMKFN-HLPPOEQASA-N 2 1 306.450 2.926 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423398741 429082207 /nfs/dbraw/zinc/08/22/07/429082207.db2.gz VJZJOCVVAYUGNQ-XCZFOBESSA-N 2 1 313.489 2.912 20 0 DFADMP COC[C@]1(C[NH2+][C@@H](COCc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423412865 429083042 /nfs/dbraw/zinc/08/30/42/429083042.db2.gz IXEWKGIXBLRKLE-RBUKOAKNSA-N 2 1 320.477 2.586 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)[C@@H](C)C1 ZINC000423415739 429085772 /nfs/dbraw/zinc/08/57/72/429085772.db2.gz AZNHHNCKTIGDAS-ZQIUZPCESA-N 2 1 303.450 2.509 20 0 DFADMP Cc1ccc(C)c([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c2ccccc2)c1 ZINC000423436737 429086932 /nfs/dbraw/zinc/08/69/32/429086932.db2.gz TXNUOAWTKBMWFJ-DFQSSKMNSA-N 2 1 310.441 2.563 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423438354 429088779 /nfs/dbraw/zinc/08/87/79/429088779.db2.gz RIJRWLBAKJWXDB-SUMWQHHRSA-N 2 1 312.417 2.516 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423449039 429088788 /nfs/dbraw/zinc/08/87/88/429088788.db2.gz VVTNKBQPIHAZQY-UHOFOFEASA-N 2 1 303.450 2.801 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423449039 429088793 /nfs/dbraw/zinc/08/87/93/429088793.db2.gz VVTNKBQPIHAZQY-UHOFOFEASA-N 2 1 303.450 2.801 20 0 DFADMP Cc1cc(N2CCC([NH2+]C/C=C/c3ccncc3)CC2)nc(C)[nH+]1 ZINC000487279746 429147300 /nfs/dbraw/zinc/14/73/00/429147300.db2.gz ONGAHZQNCUFJHP-ONEGZZNKSA-N 2 1 323.444 2.760 20 0 DFADMP CC[N@H+](CC(=O)NCCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435612928 429152712 /nfs/dbraw/zinc/15/27/12/429152712.db2.gz IBKHENFMPBWARA-QGZVFWFLSA-N 2 1 309.498 2.537 20 0 DFADMP CC[N@@H+](CC(=O)NCCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435612928 429152714 /nfs/dbraw/zinc/15/27/14/429152714.db2.gz IBKHENFMPBWARA-QGZVFWFLSA-N 2 1 309.498 2.537 20 0 DFADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000435620351 429153027 /nfs/dbraw/zinc/15/30/27/429153027.db2.gz BHFQIZOELQRSAL-MRXNPFEDSA-N 2 1 314.433 2.743 20 0 DFADMP CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)[C@H]1CCC[NH2+]CC1 ZINC000435626831 429155994 /nfs/dbraw/zinc/15/59/94/429155994.db2.gz LOIBDZNWGQONMH-HNNXBMFYSA-N 2 1 321.440 2.927 20 0 DFADMP C[C@H](CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)[N@@H+](C)C1CC1 ZINC000424143226 429098493 /nfs/dbraw/zinc/09/84/93/429098493.db2.gz FNTNQDFFPMTFMQ-GDBMZVCRSA-N 2 1 309.498 2.663 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000424139054 429098873 /nfs/dbraw/zinc/09/88/73/429098873.db2.gz DVAPAQPXHNYHTQ-PVAVHDDUSA-N 2 1 309.498 2.663 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423503274 429101009 /nfs/dbraw/zinc/10/10/09/429101009.db2.gz KIKMGCKFMKNSBU-YVWKXTFCSA-N 2 1 315.505 2.799 20 0 DFADMP CC[C@H](c1ccc(C(=O)OC)cc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423505223 429101832 /nfs/dbraw/zinc/10/18/32/429101832.db2.gz GRXUVYZEPIZDFU-MZMPZRCHSA-N 2 1 304.434 2.841 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423499465 429102297 /nfs/dbraw/zinc/10/22/97/429102297.db2.gz AYVUCJXCTUGSGP-ZLPCBKJTSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508254 429103217 /nfs/dbraw/zinc/10/32/17/429103217.db2.gz KNXMTTWNYULCMN-IZBJGVDFSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508254 429103220 /nfs/dbraw/zinc/10/32/20/429103220.db2.gz KNXMTTWNYULCMN-IZBJGVDFSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508254 429103224 /nfs/dbraw/zinc/10/32/24/429103224.db2.gz KNXMTTWNYULCMN-IZBJGVDFSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508254 429103227 /nfs/dbraw/zinc/10/32/27/429103227.db2.gz KNXMTTWNYULCMN-IZBJGVDFSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508254 429103229 /nfs/dbraw/zinc/10/32/29/429103229.db2.gz KNXMTTWNYULCMN-IZBJGVDFSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000423511918 429103250 /nfs/dbraw/zinc/10/32/50/429103250.db2.gz KOJYEMYQHHBDJL-RISCZKNCSA-N 2 1 318.339 2.614 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cc2O1 ZINC000424175773 429104079 /nfs/dbraw/zinc/10/40/79/429104079.db2.gz OCYPWWFTFWKUOJ-GFCCVEGCSA-N 2 1 321.327 2.557 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515333 429106037 /nfs/dbraw/zinc/10/60/37/429106037.db2.gz VEZRBWUDNWMPGL-OQIJWPOYSA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515333 429106042 /nfs/dbraw/zinc/10/60/42/429106042.db2.gz VEZRBWUDNWMPGL-OQIJWPOYSA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515333 429106048 /nfs/dbraw/zinc/10/60/48/429106048.db2.gz VEZRBWUDNWMPGL-OQIJWPOYSA-N 3 1 301.478 2.739 20 0 DFADMP C1CC1[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000423514265 429106163 /nfs/dbraw/zinc/10/61/63/429106163.db2.gz SSUPWTGHXDIWDV-ACBHZAAOSA-N 2 1 305.510 2.761 20 0 DFADMP C1CC1[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)C1CCCC1 ZINC000423514266 429107331 /nfs/dbraw/zinc/10/73/31/429107331.db2.gz SSUPWTGHXDIWDV-CTWPCTMYSA-N 2 1 305.510 2.761 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)c2ccccc12 ZINC000423524183 429107770 /nfs/dbraw/zinc/10/77/70/429107770.db2.gz SRORGAGOFCBIPR-GJZGRUSLSA-N 2 1 314.429 2.878 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424287039 429119928 /nfs/dbraw/zinc/11/99/28/429119928.db2.gz IGBHFXRLGCQPQR-AWEZNQCLSA-N 2 1 319.424 2.618 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297389 429120641 /nfs/dbraw/zinc/12/06/41/429120641.db2.gz SNIJMYNOXHGBIQ-IRXDYDNUSA-N 2 1 323.525 2.781 20 0 DFADMP Fc1ccc(F)c(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424291390 429121376 /nfs/dbraw/zinc/12/13/76/429121376.db2.gz NTJXCUAMYZLTDV-UHFFFAOYSA-N 2 1 318.371 2.602 20 0 DFADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424306489 429123106 /nfs/dbraw/zinc/12/31/06/429123106.db2.gz VMYRFYYPFAMZOF-KPFGOTRDSA-N 2 1 324.509 2.669 20 0 DFADMP [NH3+]C[C@H](C[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000424305451 429123126 /nfs/dbraw/zinc/12/31/26/429123126.db2.gz SIHGJTOHKPTYBP-PBHICJAKSA-N 2 1 302.397 2.818 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424302560 429123239 /nfs/dbraw/zinc/12/32/39/429123239.db2.gz ZXFMTWWORBCIMT-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000424370581 429131176 /nfs/dbraw/zinc/13/11/76/429131176.db2.gz DRFPCZVZFDQXRZ-USYVTKNRSA-N 2 1 313.489 2.757 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424368518 429132285 /nfs/dbraw/zinc/13/22/85/429132285.db2.gz AFUFGRNBMRKITD-CQSZACIVSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cnc([C@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370445 429132499 /nfs/dbraw/zinc/13/24/99/429132499.db2.gz CHURAPSMLUVGIT-DZGCQCFKSA-N 2 1 321.490 2.959 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424386119 429132789 /nfs/dbraw/zinc/13/27/89/429132789.db2.gz WWYFORCXNCTMNR-MRXNPFEDSA-N 2 1 318.461 2.676 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(-n3ccnc3)cs1)CC[NH2+]CC2 ZINC000424380071 429134225 /nfs/dbraw/zinc/13/42/25/429134225.db2.gz PGPAQKTWJZMBCE-CQSZACIVSA-N 2 1 316.474 2.898 20 0 DFADMP CC[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000435382347 429136169 /nfs/dbraw/zinc/13/61/69/429136169.db2.gz YZZOVGBPOWTTPE-HNNXBMFYSA-N 2 1 306.841 2.952 20 0 DFADMP CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@H]1CCC[NH2+]CC1 ZINC000435382347 429136174 /nfs/dbraw/zinc/13/61/74/429136174.db2.gz YZZOVGBPOWTTPE-HNNXBMFYSA-N 2 1 306.841 2.952 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000376555103 429136417 /nfs/dbraw/zinc/13/64/17/429136417.db2.gz UIKKDKQKNBSGDO-XYPWUTKMSA-N 2 1 310.482 2.913 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376555103 429136420 /nfs/dbraw/zinc/13/64/20/429136420.db2.gz UIKKDKQKNBSGDO-XYPWUTKMSA-N 2 1 310.482 2.913 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376555103 429136424 /nfs/dbraw/zinc/13/64/24/429136424.db2.gz UIKKDKQKNBSGDO-XYPWUTKMSA-N 2 1 310.482 2.913 20 0 DFADMP CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435381719 429136558 /nfs/dbraw/zinc/13/65/58/429136558.db2.gz VKLPNBQWCWWMCI-MRXNPFEDSA-N 2 1 306.450 2.976 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000435377808 429136764 /nfs/dbraw/zinc/13/67/64/429136764.db2.gz FKJQGFINFPEXRP-QEJZJMRPSA-N 2 1 300.406 2.537 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435389859 429137070 /nfs/dbraw/zinc/13/70/70/429137070.db2.gz OUYHCVKNXVFQIN-CQSZACIVSA-N 2 1 318.852 2.923 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)C1 ZINC000435395740 429139923 /nfs/dbraw/zinc/13/99/23/429139923.db2.gz RKWJPQBBDDSWDC-ZDUSSCGKSA-N 2 1 324.350 2.672 20 0 DFADMP CC(C)OCC[N@H+]1CCC2(C1)CC[NH+](CCOC(C)C)CC2 ZINC000364082940 429167151 /nfs/dbraw/zinc/16/71/51/429167151.db2.gz UDJODZJNWUMWHB-UHFFFAOYSA-N 2 1 312.498 2.624 20 0 DFADMP O=C1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941899 275018242 /nfs/dbraw/zinc/01/82/42/275018242.db2.gz QCCFHYCHCXCFNN-WBMJQRKESA-N 2 1 317.408 2.673 20 0 DFADMP c1cc(C[N@H+](C[C@@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435694976 429159425 /nfs/dbraw/zinc/15/94/25/429159425.db2.gz MUOJKHIPZUAOEU-HOCLYGCPSA-N 2 1 306.475 2.729 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2C[C@H](O)CC(F)(F)F)n1 ZINC000364287098 429176460 /nfs/dbraw/zinc/17/64/60/429176460.db2.gz ZMFPXKWKOOIRGP-QWHCGFSZSA-N 2 1 317.355 2.580 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2ccc(SC)cc2)CC1 ZINC000436286947 429194180 /nfs/dbraw/zinc/19/41/80/429194180.db2.gz BPXWZARFFWFJDE-UHFFFAOYSA-N 2 1 308.491 2.651 20 0 DFADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364356043 275377799 /nfs/dbraw/zinc/37/77/99/275377799.db2.gz JRLWNGJKVUDDQR-OBJOEFQTSA-N 2 1 322.250 2.765 20 0 DFADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000364356043 275377800 /nfs/dbraw/zinc/37/78/00/275377800.db2.gz JRLWNGJKVUDDQR-OBJOEFQTSA-N 2 1 322.250 2.765 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000364477542 429211348 /nfs/dbraw/zinc/21/13/48/429211348.db2.gz ANJTVNHDKHGORZ-MIEGEWAJSA-N 2 1 320.452 2.580 20 0 DFADMP C[N@@H+](Cc1ccc(Br)o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364587922 429229141 /nfs/dbraw/zinc/22/91/41/429229141.db2.gz GOLQSNYGTJAFIL-LLVKDONJSA-N 2 1 324.222 2.933 20 0 DFADMP C[N@H+](Cc1ccc(Br)o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364587922 429229146 /nfs/dbraw/zinc/22/91/46/429229146.db2.gz GOLQSNYGTJAFIL-LLVKDONJSA-N 2 1 324.222 2.933 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000445255290 429284270 /nfs/dbraw/zinc/28/42/70/429284270.db2.gz SKPQSWDDSMSQKH-UHFFFAOYSA-N 2 1 309.420 2.677 20 0 DFADMP C[N@@H+](CC1CCOCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000445282156 429285090 /nfs/dbraw/zinc/28/50/90/429285090.db2.gz YBVQIQZJOXEWQN-UHFFFAOYSA-N 2 1 308.388 2.762 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425407114 429287915 /nfs/dbraw/zinc/28/79/15/429287915.db2.gz OAZUNOGDSFGBMC-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495619275 429233313 /nfs/dbraw/zinc/23/33/13/429233313.db2.gz OOOSHHZTIDHIIB-KBPBESRZSA-N 2 1 313.486 2.560 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495619275 429233317 /nfs/dbraw/zinc/23/33/17/429233317.db2.gz OOOSHHZTIDHIIB-KBPBESRZSA-N 2 1 313.486 2.560 20 0 DFADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000456368121 429289651 /nfs/dbraw/zinc/28/96/51/429289651.db2.gz DUDDMBVDPLGDIK-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000456368121 429289652 /nfs/dbraw/zinc/28/96/52/429289652.db2.gz DUDDMBVDPLGDIK-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000456368121 429289656 /nfs/dbraw/zinc/28/96/56/429289656.db2.gz DUDDMBVDPLGDIK-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000425340660 429268606 /nfs/dbraw/zinc/26/86/06/429268606.db2.gz FELOVSDTGUOTOU-HUUCEWRRSA-N 2 1 306.479 2.546 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CC[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000425413392 429289368 /nfs/dbraw/zinc/28/93/68/429289368.db2.gz CNSFCMCGXLRWPL-GOSISDBHSA-N 2 1 318.461 2.749 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CC[C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000425413392 429289372 /nfs/dbraw/zinc/28/93/72/429289372.db2.gz CNSFCMCGXLRWPL-GOSISDBHSA-N 2 1 318.461 2.749 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000425361210 429278057 /nfs/dbraw/zinc/27/80/57/429278057.db2.gz TYWQGCAVFSPSAV-ZTFGCOKTSA-N 2 1 320.502 2.891 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000425361210 429278062 /nfs/dbraw/zinc/27/80/62/429278062.db2.gz TYWQGCAVFSPSAV-ZTFGCOKTSA-N 2 1 320.502 2.891 20 0 DFADMP CC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000495858984 429281575 /nfs/dbraw/zinc/28/15/75/429281575.db2.gz NEQKFVXMGXTRIW-GOSISDBHSA-N 2 1 321.465 2.515 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000497230422 429321921 /nfs/dbraw/zinc/32/19/21/429321921.db2.gz XCFXKXPFVKFCGX-HNNXBMFYSA-N 2 1 313.486 2.517 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000497230422 429321927 /nfs/dbraw/zinc/32/19/27/429321927.db2.gz XCFXKXPFVKFCGX-HNNXBMFYSA-N 2 1 313.486 2.517 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000497230422 429321931 /nfs/dbraw/zinc/32/19/31/429321931.db2.gz XCFXKXPFVKFCGX-HNNXBMFYSA-N 2 1 313.486 2.517 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCCC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000449161658 429347699 /nfs/dbraw/zinc/34/76/99/429347699.db2.gz GJONRVIIVQIBTP-QUCCMNQESA-N 2 1 314.473 2.936 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000449161658 429347705 /nfs/dbraw/zinc/34/77/05/429347705.db2.gz GJONRVIIVQIBTP-QUCCMNQESA-N 2 1 314.473 2.936 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000449106752 429332531 /nfs/dbraw/zinc/33/25/31/429332531.db2.gz JKFIUEQAMOGMSD-SJLPKXTDSA-N 2 1 317.477 2.545 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365538598 429336360 /nfs/dbraw/zinc/33/63/60/429336360.db2.gz NPEBTVLJSFXHFB-NEWSRXKRSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365538598 429336363 /nfs/dbraw/zinc/33/63/63/429336363.db2.gz NPEBTVLJSFXHFB-NEWSRXKRSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365538598 429336365 /nfs/dbraw/zinc/33/63/65/429336365.db2.gz NPEBTVLJSFXHFB-NEWSRXKRSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365538598 429336369 /nfs/dbraw/zinc/33/63/69/429336369.db2.gz NPEBTVLJSFXHFB-NEWSRXKRSA-N 2 1 313.445 2.561 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CSC[C@H]3C)CC2)oc1C ZINC000449120310 429337411 /nfs/dbraw/zinc/33/74/11/429337411.db2.gz CMJMNSVGDFYRKW-MLGOLLRUSA-N 2 1 323.506 2.845 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000449126620 429338959 /nfs/dbraw/zinc/33/89/59/429338959.db2.gz USNQKMMLTINJDX-NUJGCVRESA-N 2 1 323.525 2.734 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)ccc1OC ZINC000365558450 429340209 /nfs/dbraw/zinc/34/02/09/429340209.db2.gz SHOLWWZOJOTDSE-OAHLLOKOSA-N 2 1 315.417 2.643 20 0 DFADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000449133952 429340717 /nfs/dbraw/zinc/34/07/17/429340717.db2.gz GBYKWEDKGIUKID-DLBZAZTESA-N 2 1 309.498 2.522 20 0 DFADMP Cc1n[nH]cc1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449157266 429344868 /nfs/dbraw/zinc/34/48/68/429344868.db2.gz PQTSBSBAOKDIIH-OAHLLOKOSA-N 2 1 312.461 2.903 20 0 DFADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000449161463 429346719 /nfs/dbraw/zinc/34/67/19/429346719.db2.gz FQSCSRAPJOZFIL-RTBURBONSA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000449161463 429346724 /nfs/dbraw/zinc/34/67/24/429346724.db2.gz FQSCSRAPJOZFIL-RTBURBONSA-N 2 1 302.462 2.792 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449338244 429393034 /nfs/dbraw/zinc/39/30/34/429393034.db2.gz UOUCQIZCJAHWFX-GVDBMIGSSA-N 2 1 309.498 2.665 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccccc1C[NH+](C)C ZINC000426500966 429397578 /nfs/dbraw/zinc/39/75/78/429397578.db2.gz PZIVBBYZEVKJPH-HNNXBMFYSA-N 2 1 305.466 2.598 20 0 DFADMP C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365999213 429408888 /nfs/dbraw/zinc/40/88/88/429408888.db2.gz GRLDHTVDYGIZJS-OAHLLOKOSA-N 2 1 317.408 2.986 20 0 DFADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365999213 429408894 /nfs/dbraw/zinc/40/88/94/429408894.db2.gz GRLDHTVDYGIZJS-OAHLLOKOSA-N 2 1 317.408 2.986 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000449170908 429348985 /nfs/dbraw/zinc/34/89/85/429348985.db2.gz JIKSZHDESGZZLN-GUYCJALGSA-N 2 1 316.424 2.799 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc3c(c2)CCCC3)CC1(C)C ZINC000491348263 429349919 /nfs/dbraw/zinc/34/99/19/429349919.db2.gz RNMVHAHQMQHLJU-UHFFFAOYSA-N 2 1 315.505 2.681 20 0 DFADMP CC/C=C\CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425935175 429352064 /nfs/dbraw/zinc/35/20/64/429352064.db2.gz CJQMLSHVKSIUAB-PHWHVTFISA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C\CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425935175 429352069 /nfs/dbraw/zinc/35/20/69/429352069.db2.gz CJQMLSHVKSIUAB-PHWHVTFISA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C\CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425935175 429352075 /nfs/dbraw/zinc/35/20/75/429352075.db2.gz CJQMLSHVKSIUAB-PHWHVTFISA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C\CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425935175 429352079 /nfs/dbraw/zinc/35/20/79/429352079.db2.gz CJQMLSHVKSIUAB-PHWHVTFISA-N 2 1 302.462 2.912 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000425945418 429353432 /nfs/dbraw/zinc/35/34/32/429353432.db2.gz QPFJXFBIWHUXRK-NVXWUHKLSA-N 2 1 302.462 2.874 20 0 DFADMP C[C@@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000366024232 429409740 /nfs/dbraw/zinc/40/97/40/429409740.db2.gz KZTJKSZOCQADPN-BPIHKTFHSA-N 2 1 302.462 2.933 20 0 DFADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000426704058 429409771 /nfs/dbraw/zinc/40/97/71/429409771.db2.gz PAPLFNSMTMYIQV-SFHVURJKSA-N 2 1 319.493 2.527 20 0 DFADMP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000365759689 429368943 /nfs/dbraw/zinc/36/89/43/429368943.db2.gz VITVNKCBWJHQLT-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000365759689 429368947 /nfs/dbraw/zinc/36/89/47/429368947.db2.gz VITVNKCBWJHQLT-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427294464 429444543 /nfs/dbraw/zinc/44/45/43/429444543.db2.gz ITZXTSSOFKVFIX-IRXDYDNUSA-N 2 1 323.525 2.783 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449562030 429450408 /nfs/dbraw/zinc/45/04/08/429450408.db2.gz ZKAZWYJIWXAFKQ-FCLXEUQJSA-N 2 1 319.424 2.758 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000427483159 429453656 /nfs/dbraw/zinc/45/36/56/429453656.db2.gz BXEQHDUWTHHHGB-WBVHZDCISA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000427483159 429453660 /nfs/dbraw/zinc/45/36/60/429453660.db2.gz BXEQHDUWTHHHGB-WBVHZDCISA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000427483159 429453663 /nfs/dbraw/zinc/45/36/63/429453663.db2.gz BXEQHDUWTHHHGB-WBVHZDCISA-N 2 1 309.498 2.628 20 0 DFADMP CCn1nccc1C1CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000366104993 429419311 /nfs/dbraw/zinc/41/93/11/429419311.db2.gz SOEVHPIKDSSAOK-UHFFFAOYSA-N 2 1 304.482 2.958 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000491900259 429430970 /nfs/dbraw/zinc/43/09/70/429430970.db2.gz DMXMVYZOZCWSOK-IRXDYDNUSA-N 2 1 311.514 2.924 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H](C)C1 ZINC000366220835 429436614 /nfs/dbraw/zinc/43/66/14/429436614.db2.gz VZBJFZHYFFERMA-LXZKKBNFSA-N 2 1 323.431 2.863 20 0 DFADMP Cc1cn2c(CN3CC[C@@]4(CC[N@H+](C)C4)C3)c(C)nc2s1 ZINC000366537171 429472993 /nfs/dbraw/zinc/47/29/93/429472993.db2.gz VTNVSSUMNFBJGG-MRXNPFEDSA-N 2 1 304.463 2.540 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)n1 ZINC000428041065 429486433 /nfs/dbraw/zinc/48/64/33/429486433.db2.gz NLRAECARMOILHD-MJGOQNOKSA-N 2 1 310.445 2.673 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CCC1 ZINC000449738995 429492970 /nfs/dbraw/zinc/49/29/70/429492970.db2.gz HSLPLJHOUAHXJJ-UAFMIMERSA-N 2 1 314.473 2.648 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)C1CCC1 ZINC000449738977 429493342 /nfs/dbraw/zinc/49/33/42/429493342.db2.gz HOQRADQPWRVFJK-GOSISDBHSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@H]32)nc(N(C)C)[nH+]1 ZINC000428162107 429494323 /nfs/dbraw/zinc/49/43/23/429494323.db2.gz LZULVJUIUQOPQK-GDBMZVCRSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)nc(N(C)C)[nH+]1 ZINC000428162107 429494329 /nfs/dbraw/zinc/49/43/29/429494329.db2.gz LZULVJUIUQOPQK-GDBMZVCRSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000366751499 429506764 /nfs/dbraw/zinc/50/67/64/429506764.db2.gz OPJPAOASXRQVGR-LBPRGKRZSA-N 2 1 321.856 2.746 20 0 DFADMP Cc1cnc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000428386422 429516113 /nfs/dbraw/zinc/51/61/13/429516113.db2.gz DKROMDBRJMMTAU-RLFYNMQTSA-N 2 1 300.450 2.795 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000367032539 429561547 /nfs/dbraw/zinc/56/15/47/429561547.db2.gz ZWYZTBIUHDXZQA-UYAOXDASSA-N 2 1 315.505 2.761 20 0 DFADMP c1nc2ccc(C[NH2+]C3CCN(c4ccccn4)CC3)cc2[nH]1 ZINC000521815376 429563948 /nfs/dbraw/zinc/56/39/48/429563948.db2.gz XDGYLUQKWYOOEX-UHFFFAOYSA-N 2 1 307.401 2.717 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c1F ZINC000367083491 429573724 /nfs/dbraw/zinc/57/37/24/429573724.db2.gz GNCRJTXLFYYJNQ-OAHLLOKOSA-N 2 1 302.349 2.883 20 0 DFADMP COc1cccc(CN2CC[C@@H](Oc3ccncc3)C2)c1F ZINC000367083491 429573727 /nfs/dbraw/zinc/57/37/27/429573727.db2.gz GNCRJTXLFYYJNQ-OAHLLOKOSA-N 2 1 302.349 2.883 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000429024184 429573795 /nfs/dbraw/zinc/57/37/95/429573795.db2.gz WSTYBVQHHNFATJ-JFIYKMOQSA-N 2 1 304.482 2.634 20 0 DFADMP Cc1ccc(-c2nnc(CN3CC[C@]4(CC[N@H+](C)C4)C3)o2)cc1 ZINC000429021782 429574912 /nfs/dbraw/zinc/57/49/12/429574912.db2.gz QGVHTKVWCPFYBU-SFHVURJKSA-N 2 1 312.417 2.573 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000367116405 429581618 /nfs/dbraw/zinc/58/16/18/429581618.db2.gz BZRVDWFANHYOCD-MRXNPFEDSA-N 2 1 321.896 2.799 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000367116405 429581622 /nfs/dbraw/zinc/58/16/22/429581622.db2.gz BZRVDWFANHYOCD-MRXNPFEDSA-N 2 1 321.896 2.799 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000458160444 429588088 /nfs/dbraw/zinc/58/80/88/429588088.db2.gz GBELNRQOJJRCSN-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458160444 429588094 /nfs/dbraw/zinc/58/80/94/429588094.db2.gz GBELNRQOJJRCSN-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458160444 429588096 /nfs/dbraw/zinc/58/80/96/429588096.db2.gz GBELNRQOJJRCSN-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000521030777 429536390 /nfs/dbraw/zinc/53/63/90/429536390.db2.gz AJROPTXNFSMVAC-JYPHPWERSA-N 2 1 302.462 2.758 20 0 DFADMP C[NH+](C)CC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449930280 429538852 /nfs/dbraw/zinc/53/88/52/429538852.db2.gz LKWNOVKFEXLPGB-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cs1 ZINC000366916137 429539446 /nfs/dbraw/zinc/53/94/46/429539446.db2.gz LYESXTLGNSPUKW-KRWDZBQOSA-N 2 1 323.506 2.918 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cs1 ZINC000366916137 429539452 /nfs/dbraw/zinc/53/94/52/429539452.db2.gz LYESXTLGNSPUKW-KRWDZBQOSA-N 2 1 323.506 2.918 20 0 DFADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000521252591 429544518 /nfs/dbraw/zinc/54/45/18/429544518.db2.gz KSKOELNWBDMTDK-CVEARBPZSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450406402 429621151 /nfs/dbraw/zinc/62/11/51/429621151.db2.gz GFLZRNOJUDLYGZ-BJMVGYQFSA-N 2 1 302.462 2.869 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450406402 429621156 /nfs/dbraw/zinc/62/11/56/429621156.db2.gz GFLZRNOJUDLYGZ-BJMVGYQFSA-N 2 1 302.462 2.869 20 0 DFADMP CN(CC[C@H]1CCCC[NH+]1C)CC[N@H+](C)Cc1ccccc1 ZINC000429701365 429626124 /nfs/dbraw/zinc/62/61/24/429626124.db2.gz VGZNAQSTLXPQCR-LJQANCHMSA-N 2 1 303.494 2.925 20 0 DFADMP CN(CC[C@H]1CCCC[NH+]1C)CC[N@@H+](C)Cc1ccccc1 ZINC000429701365 429626128 /nfs/dbraw/zinc/62/61/28/429626128.db2.gz VGZNAQSTLXPQCR-LJQANCHMSA-N 2 1 303.494 2.925 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)C=Cc2c[nH]cn2)[C@H]1c1ccccc1 ZINC000492835016 429626633 /nfs/dbraw/zinc/62/66/33/429626633.db2.gz VHSBZOCLWSEPNI-LBDIVEORSA-N 2 1 324.428 2.622 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450452242 429629029 /nfs/dbraw/zinc/62/90/29/429629029.db2.gz LUOHURXNEWLCRF-OALUTQOASA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000450452242 429629032 /nfs/dbraw/zinc/62/90/32/429629032.db2.gz LUOHURXNEWLCRF-OALUTQOASA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000450452242 429629035 /nfs/dbraw/zinc/62/90/35/429629035.db2.gz LUOHURXNEWLCRF-OALUTQOASA-N 2 1 307.526 2.913 20 0 DFADMP CSC1(C[N@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000367358260 429629389 /nfs/dbraw/zinc/62/93/89/429629389.db2.gz ZYZADZFUIAWHGN-UHFFFAOYSA-N 2 1 320.506 2.890 20 0 DFADMP CSC1(C[N@@H+](C)C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CC1 ZINC000367358260 429629394 /nfs/dbraw/zinc/62/93/94/429629394.db2.gz ZYZADZFUIAWHGN-UHFFFAOYSA-N 2 1 320.506 2.890 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450454981 429632236 /nfs/dbraw/zinc/63/22/36/429632236.db2.gz PMTJNSMGHUNWSG-GJZGRUSLSA-N 2 1 304.425 2.855 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463780 429633787 /nfs/dbraw/zinc/63/37/87/429633787.db2.gz SAZDGQOLVGESAR-JENIJYKNSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463780 429633793 /nfs/dbraw/zinc/63/37/93/429633793.db2.gz SAZDGQOLVGESAR-JENIJYKNSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463780 429633798 /nfs/dbraw/zinc/63/37/98/429633798.db2.gz SAZDGQOLVGESAR-JENIJYKNSA-N 2 1 304.478 2.815 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000450465273 429634532 /nfs/dbraw/zinc/63/45/32/429634532.db2.gz DUYGNCQERDBMGW-IEBWSBKVSA-N 2 1 303.494 2.923 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)CC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000450465273 429634537 /nfs/dbraw/zinc/63/45/37/429634537.db2.gz DUYGNCQERDBMGW-IEBWSBKVSA-N 2 1 303.494 2.923 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)CC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000450465273 429634540 /nfs/dbraw/zinc/63/45/40/429634540.db2.gz DUYGNCQERDBMGW-IEBWSBKVSA-N 2 1 303.494 2.923 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450471604 429636233 /nfs/dbraw/zinc/63/62/33/429636233.db2.gz WIRGCNQSBLCVQF-QFBILLFUSA-N 2 1 304.478 2.957 20 0 DFADMP C[N@@H+]1CCO[C@H](CNc2ccnc3cc(F)c(Cl)cc32)C1 ZINC000450290472 429592692 /nfs/dbraw/zinc/59/26/92/429592692.db2.gz RBHYEHQTHVLVRC-SNVBAGLBSA-N 2 1 309.772 2.770 20 0 DFADMP C[N@H+]1CCO[C@H](CNc2ccnc3cc(F)c(Cl)cc32)C1 ZINC000450290472 429592697 /nfs/dbraw/zinc/59/26/97/429592697.db2.gz RBHYEHQTHVLVRC-SNVBAGLBSA-N 2 1 309.772 2.770 20 0 DFADMP CCC[C@H](C(=O)N1CCC(Nc2cccc(C)[nH+]2)CC1)[NH+](C)C ZINC000367197562 429595160 /nfs/dbraw/zinc/59/51/60/429595160.db2.gz TTYPGEOCCXGTQL-MRXNPFEDSA-N 2 1 318.465 2.523 20 0 DFADMP Cc1cc(NC(=O)[C@H]2CCCc3[nH+]ccn32)ccc1C[NH+](C)C ZINC000458256067 429607999 /nfs/dbraw/zinc/60/79/99/429607999.db2.gz BQSFZRAOWUQYSX-MRXNPFEDSA-N 2 1 312.417 2.769 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(c2ncnc3[nH]c4ccccc4c32)C1 ZINC000450360229 429609560 /nfs/dbraw/zinc/60/95/60/429609560.db2.gz KBUQEPVDZSRGPJ-ZDUSSCGKSA-N 2 1 309.417 2.889 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000367275286 429611501 /nfs/dbraw/zinc/61/15/01/429611501.db2.gz SYWSVOBBMOMGOM-SJLPKXTDSA-N 2 1 310.482 2.868 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000367275286 429611506 /nfs/dbraw/zinc/61/15/06/429611506.db2.gz SYWSVOBBMOMGOM-SJLPKXTDSA-N 2 1 310.482 2.868 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000492970386 429657593 /nfs/dbraw/zinc/65/75/93/429657593.db2.gz YHNCJDVGSVGUHG-UHFFFAOYSA-N 2 1 322.453 2.571 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(-n2ccnn2)c1 ZINC000367490185 429658737 /nfs/dbraw/zinc/65/87/37/429658737.db2.gz NIGVBDWMGNRWNW-USXIJHARSA-N 2 1 311.433 2.545 20 0 DFADMP Cc1cccc(C)c1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686440 429667898 /nfs/dbraw/zinc/66/78/98/429667898.db2.gz YTFNQTXOOXZLDJ-LJQANCHMSA-N 2 1 315.505 2.904 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000355232865 276044156 /nfs/dbraw/zinc/04/41/56/276044156.db2.gz HJXUQNZMEHHWKU-BZSNNMDCSA-N 2 1 317.477 2.715 20 0 DFADMP CC[N@@H+](CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)cc1)C1CC1 ZINC000282785461 276084435 /nfs/dbraw/zinc/08/44/35/276084435.db2.gz FMQYYRIIGGXQTL-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP CC[NH+](CC)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272365326 276099413 /nfs/dbraw/zinc/09/94/13/276099413.db2.gz OBBSNNPJHVJEHH-HKUYNNGSSA-N 2 1 303.494 2.828 20 0 DFADMP CC[N@@H+](CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000274954588 276131817 /nfs/dbraw/zinc/13/18/17/276131817.db2.gz VPTTVRDVSFFGIB-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954588 276131819 /nfs/dbraw/zinc/13/18/19/276131819.db2.gz VPTTVRDVSFFGIB-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954588 276131822 /nfs/dbraw/zinc/13/18/22/276131822.db2.gz VPTTVRDVSFFGIB-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954588 276131824 /nfs/dbraw/zinc/13/18/24/276131824.db2.gz VPTTVRDVSFFGIB-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954588 276131827 /nfs/dbraw/zinc/13/18/27/276131827.db2.gz VPTTVRDVSFFGIB-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1)C(C)C ZINC000246558476 276140677 /nfs/dbraw/zinc/14/06/77/276140677.db2.gz UGVAZIQJWMDREC-ZWKOTPCHSA-N 2 1 317.477 2.774 20 0 DFADMP CC1CCC(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000354037639 276189004 /nfs/dbraw/zinc/18/90/04/276189004.db2.gz JEOBDCTVNYEFPL-VLOYRQLPSA-N 2 1 307.526 2.771 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@@H]2CCC[C@@H]21 ZINC000367601065 429681173 /nfs/dbraw/zinc/68/11/73/429681173.db2.gz MELQDQLTICDHRY-UFYCRDLUSA-N 2 1 324.472 2.894 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H]3CCC[C@H](C)C3)C2)CC1 ZINC000246499822 276198227 /nfs/dbraw/zinc/19/82/27/276198227.db2.gz SBDYNSORHMPPGT-IPMKNSEASA-N 2 1 307.526 2.915 20 0 DFADMP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000367603083 429681917 /nfs/dbraw/zinc/68/19/17/429681917.db2.gz YDYUWZPMVCUIIX-QXAKKESOSA-N 3 1 319.468 2.850 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000367603083 429681920 /nfs/dbraw/zinc/68/19/20/429681920.db2.gz YDYUWZPMVCUIIX-QXAKKESOSA-N 2 1 319.468 2.850 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000367603083 429681922 /nfs/dbraw/zinc/68/19/22/429681922.db2.gz YDYUWZPMVCUIIX-QXAKKESOSA-N 2 1 319.468 2.850 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367598209 429682067 /nfs/dbraw/zinc/68/20/67/429682067.db2.gz DDKBYJPJJXDZQQ-RCCFBDPRSA-N 2 1 301.434 2.607 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000371433548 276216963 /nfs/dbraw/zinc/21/69/63/276216963.db2.gz XIBVSJJPJMRHGC-DNVCBOLYSA-N 2 1 312.461 2.907 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367631758 429689258 /nfs/dbraw/zinc/68/92/58/429689258.db2.gz FFGGLTNRHMOZBQ-VJANTYMQSA-N 2 1 302.462 2.747 20 0 DFADMP C[C@H](O)CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000450740317 429689825 /nfs/dbraw/zinc/68/98/25/429689825.db2.gz UTHOJYXSBIZTFK-MJQMVNBJSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430561281 429691113 /nfs/dbraw/zinc/69/11/13/429691113.db2.gz ZSMUMVZMANGWOF-KBPBESRZSA-N 2 1 323.506 2.717 20 0 DFADMP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430561281 429691118 /nfs/dbraw/zinc/69/11/18/429691118.db2.gz ZSMUMVZMANGWOF-KBPBESRZSA-N 2 1 323.506 2.717 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000353666188 276292041 /nfs/dbraw/zinc/29/20/41/276292041.db2.gz YNCTXAZUQUNDPX-QRTARXTBSA-N 2 1 323.506 2.765 20 0 DFADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430589798 429699707 /nfs/dbraw/zinc/69/97/07/429699707.db2.gz BJOPUQVQENRBNU-ZDUSSCGKSA-N 2 1 309.454 2.863 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430574467 429694715 /nfs/dbraw/zinc/69/47/15/429694715.db2.gz SKVHCVSQJBXBEP-LTIDMASMSA-N 2 1 317.477 2.620 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430574467 429694717 /nfs/dbraw/zinc/69/47/17/429694717.db2.gz SKVHCVSQJBXBEP-LTIDMASMSA-N 2 1 317.477 2.620 20 0 DFADMP COCCOCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000367657608 429694753 /nfs/dbraw/zinc/69/47/53/429694753.db2.gz IETRDZPQRSTNDH-CYBMUJFWSA-N 2 1 321.396 2.633 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430586172 429695616 /nfs/dbraw/zinc/69/56/16/429695616.db2.gz YDONBBXQOIJSKP-SOLBZPMBSA-N 2 1 317.477 2.540 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430586172 429695622 /nfs/dbraw/zinc/69/56/22/429695622.db2.gz YDONBBXQOIJSKP-SOLBZPMBSA-N 2 1 317.477 2.540 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cc(F)cc(F)c1 ZINC000430580948 429695932 /nfs/dbraw/zinc/69/59/32/429695932.db2.gz GRKVUATURROSLW-HNNXBMFYSA-N 2 1 313.392 2.599 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000430586175 429696601 /nfs/dbraw/zinc/69/66/01/429696601.db2.gz YDONBBXQOIJSKP-XYJFISCASA-N 2 1 317.477 2.540 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000430586175 429696603 /nfs/dbraw/zinc/69/66/03/429696603.db2.gz YDONBBXQOIJSKP-XYJFISCASA-N 2 1 317.477 2.540 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367673253 429697611 /nfs/dbraw/zinc/69/76/11/429697611.db2.gz RCZJALWQPSWVSF-ZIFCJYIRSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000430593666 429698291 /nfs/dbraw/zinc/69/82/91/429698291.db2.gz FFTDYIGORFANTD-AWEZNQCLSA-N 2 1 302.340 2.845 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000430607317 429701333 /nfs/dbraw/zinc/70/13/33/429701333.db2.gz YGBVLATVSKHNFG-QZTJIDSGSA-N 2 1 317.477 2.766 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000430607317 429701340 /nfs/dbraw/zinc/70/13/40/429701340.db2.gz YGBVLATVSKHNFG-QZTJIDSGSA-N 2 1 317.477 2.766 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430623935 429703634 /nfs/dbraw/zinc/70/36/34/429703634.db2.gz HKWOSHALFIEAJQ-QGZVFWFLSA-N 2 1 311.514 2.578 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430623935 429703638 /nfs/dbraw/zinc/70/36/38/429703638.db2.gz HKWOSHALFIEAJQ-QGZVFWFLSA-N 2 1 311.514 2.578 20 0 DFADMP CC(C)(C)[C@@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1cccs1 ZINC000430642978 429705999 /nfs/dbraw/zinc/70/59/99/429705999.db2.gz WGSWWOIDUKQESW-INIZCTEOSA-N 2 1 323.506 2.622 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1CC[NH2+]CC1 ZINC000430663089 429707178 /nfs/dbraw/zinc/70/71/78/429707178.db2.gz JODJSUAHCBETKT-UHFFFAOYSA-N 2 1 311.429 2.852 20 0 DFADMP CC(C)c1cc(NC2CC([NH+]3CCCCC3)C2)nc(N(C)C)[nH+]1 ZINC000480831587 429721082 /nfs/dbraw/zinc/72/10/82/429721082.db2.gz SHHVOVIIAATUHR-UHFFFAOYSA-N 2 1 317.481 3.095 20 0 DFADMP c1cn(CCC[N@@H+]2CC=C(c3ccnc4[nH]ccc43)CC2)cn1 ZINC000367831405 429725197 /nfs/dbraw/zinc/72/51/97/429725197.db2.gz LCRUOWSEGOYBGZ-UHFFFAOYSA-N 2 1 307.401 2.939 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430928203 429725405 /nfs/dbraw/zinc/72/54/05/429725405.db2.gz SVUMQGMZIHURDT-GFCCVEGCSA-N 2 1 318.339 2.505 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430928203 429725409 /nfs/dbraw/zinc/72/54/09/429725409.db2.gz SVUMQGMZIHURDT-GFCCVEGCSA-N 2 1 318.339 2.505 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430922568 429725782 /nfs/dbraw/zinc/72/57/82/429725782.db2.gz BGZXTLXBXHOSGI-QGZVFWFLSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430922568 429725787 /nfs/dbraw/zinc/72/57/87/429725787.db2.gz BGZXTLXBXHOSGI-QGZVFWFLSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000430934237 429725841 /nfs/dbraw/zinc/72/58/41/429725841.db2.gz OCJGJKHWOZQTOK-CQSZACIVSA-N 2 1 314.433 2.653 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430951126 429726569 /nfs/dbraw/zinc/72/65/69/429726569.db2.gz UGFFVOSALOWKDG-KRWDZBQOSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000430951126 429726575 /nfs/dbraw/zinc/72/65/75/429726575.db2.gz UGFFVOSALOWKDG-KRWDZBQOSA-N 2 1 311.429 2.702 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000482892843 429728331 /nfs/dbraw/zinc/72/83/31/429728331.db2.gz YSKGOBHORPZWPJ-QRQLOZEOSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000482892843 429728335 /nfs/dbraw/zinc/72/83/35/429728335.db2.gz YSKGOBHORPZWPJ-QRQLOZEOSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000482892843 429728339 /nfs/dbraw/zinc/72/83/39/429728339.db2.gz YSKGOBHORPZWPJ-QRQLOZEOSA-N 2 1 307.526 2.961 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430963326 429732447 /nfs/dbraw/zinc/73/24/47/429732447.db2.gz UHUPMILIIBNNGZ-NSHDSACASA-N 2 1 303.233 2.914 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430963326 429732453 /nfs/dbraw/zinc/73/24/53/429732453.db2.gz UHUPMILIIBNNGZ-NSHDSACASA-N 2 1 303.233 2.914 20 0 DFADMP Cc1ccc2c(c1)[C@H](NC[C@@H]1C[N@@H+]3CCC[C@H]3CO1)[C@@H](C)C2 ZINC000367886797 429736292 /nfs/dbraw/zinc/73/62/92/429736292.db2.gz QSWHSHXVFWLEAU-ITQYTPKQSA-N 2 1 300.446 2.681 20 0 DFADMP Cc1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+]3CCC[C@H]3CO1)[C@@H](C)C2 ZINC000367886797 429736298 /nfs/dbraw/zinc/73/62/98/429736298.db2.gz QSWHSHXVFWLEAU-ITQYTPKQSA-N 2 1 300.446 2.681 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)[C@@H](C)C2 ZINC000367886797 429736299 /nfs/dbraw/zinc/73/62/99/429736299.db2.gz QSWHSHXVFWLEAU-ITQYTPKQSA-N 2 1 300.446 2.681 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)[C@@H](C)C2 ZINC000367886797 429736304 /nfs/dbraw/zinc/73/63/04/429736304.db2.gz QSWHSHXVFWLEAU-ITQYTPKQSA-N 2 1 300.446 2.681 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000431034882 429737607 /nfs/dbraw/zinc/73/76/07/429737607.db2.gz PGJYWKZIXBKHMJ-NXHRZFHOSA-N 2 1 317.477 2.798 20 0 DFADMP Cc1nn(C)c2sc([C@@H](C)[NH2+][C@H]3CCc4[nH+]ccn4C3)cc12 ZINC000367895024 429738154 /nfs/dbraw/zinc/73/81/54/429738154.db2.gz GWYOLBNANWJROS-NEPJUHHUSA-N 2 1 315.446 2.805 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@H]2Cc2ccccc2)n1 ZINC000431073133 429739484 /nfs/dbraw/zinc/73/94/84/429739484.db2.gz ILCZFPGJCHQLBR-HNNXBMFYSA-N 2 1 314.433 2.861 20 0 DFADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431077052 429739577 /nfs/dbraw/zinc/73/95/77/429739577.db2.gz AUIVBYXHLMDTQC-JSGCOSHPSA-N 2 1 300.406 2.641 20 0 DFADMP CC[C@@H](Cc1ccccc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076967 429739878 /nfs/dbraw/zinc/73/98/78/429739878.db2.gz ABOPUGBXRRLSQD-AWEZNQCLSA-N 2 1 302.422 2.717 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCOCC3CC3)C1)CCCC2 ZINC000432099306 429800683 /nfs/dbraw/zinc/80/06/83/429800683.db2.gz QHNXMSRWQRQYGQ-INIZCTEOSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCOCC3CC3)C1)CCCC2 ZINC000432099306 429800687 /nfs/dbraw/zinc/80/06/87/429800687.db2.gz QHNXMSRWQRQYGQ-INIZCTEOSA-N 2 1 303.450 2.744 20 0 DFADMP Clc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)nc1 ZINC000367953186 429751814 /nfs/dbraw/zinc/75/18/14/429751814.db2.gz DAXBXANJFZQYTG-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]C/C=C/c2ccncc2)C[C@H](C)O1 ZINC000486940919 429755135 /nfs/dbraw/zinc/75/51/35/429755135.db2.gz QIIJCPKITOJCJR-WZDWLKHJSA-N 2 1 303.450 2.574 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000367996572 429762448 /nfs/dbraw/zinc/76/24/48/429762448.db2.gz CJCIEINRJMFNAJ-QGZVFWFLSA-N 2 1 309.417 2.878 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000367996572 429762451 /nfs/dbraw/zinc/76/24/51/429762451.db2.gz CJCIEINRJMFNAJ-QGZVFWFLSA-N 2 1 309.417 2.878 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619490 429767992 /nfs/dbraw/zinc/76/79/92/429767992.db2.gz KNLIISGCLCOTSR-UHFFFAOYSA-N 2 1 313.449 2.943 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2nc(C(C)C)ncc2C1 ZINC000527619490 429767997 /nfs/dbraw/zinc/76/79/97/429767997.db2.gz KNLIISGCLCOTSR-UHFFFAOYSA-N 2 1 313.449 2.943 20 0 DFADMP C[N@@H+](Cc1cccc2nsnc21)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368070178 429779991 /nfs/dbraw/zinc/77/99/91/429779991.db2.gz IRPLNPCOZMIFHB-GFCCVEGCSA-N 2 1 313.430 2.582 20 0 DFADMP C[N@H+](Cc1cccc2nsnc21)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368070178 429779995 /nfs/dbraw/zinc/77/99/95/429779995.db2.gz IRPLNPCOZMIFHB-GFCCVEGCSA-N 2 1 313.430 2.582 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749389 429780466 /nfs/dbraw/zinc/78/04/66/429780466.db2.gz KVAHYJPDPSOMTO-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749389 429780470 /nfs/dbraw/zinc/78/04/70/429780470.db2.gz KVAHYJPDPSOMTO-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749389 429780473 /nfs/dbraw/zinc/78/04/73/429780473.db2.gz KVAHYJPDPSOMTO-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cnn1C(C)(C)C ZINC000368103529 429788063 /nfs/dbraw/zinc/78/80/63/429788063.db2.gz WQXNDIVZBOUKIF-WCQYABFASA-N 2 1 301.438 2.878 20 0 DFADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451213615 429788503 /nfs/dbraw/zinc/78/85/03/429788503.db2.gz FFLLNTPSIBWWFB-IAGOWNOFSA-N 2 1 323.525 2.863 20 0 DFADMP Cn1cncc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000368105416 429789047 /nfs/dbraw/zinc/78/90/47/429789047.db2.gz ROVKCYTWJJKXIB-UHFFFAOYSA-N 2 1 312.461 2.953 20 0 DFADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431906938 429790115 /nfs/dbraw/zinc/79/01/15/429790115.db2.gz KEKQEKPYGZJAPP-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220814 429790475 /nfs/dbraw/zinc/79/04/75/429790475.db2.gz WOWXGIFKBWIRLI-INIZCTEOSA-N 2 1 320.481 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220814 429790479 /nfs/dbraw/zinc/79/04/79/429790479.db2.gz WOWXGIFKBWIRLI-INIZCTEOSA-N 2 1 320.481 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451220814 429790481 /nfs/dbraw/zinc/79/04/81/429790481.db2.gz WOWXGIFKBWIRLI-INIZCTEOSA-N 2 1 320.481 2.585 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000493602779 429793476 /nfs/dbraw/zinc/79/34/76/429793476.db2.gz ORTDAWFPWSOPLK-CAMMJAKZSA-N 2 1 307.526 2.959 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000493602779 429793480 /nfs/dbraw/zinc/79/34/80/429793480.db2.gz ORTDAWFPWSOPLK-CAMMJAKZSA-N 2 1 307.526 2.959 20 0 DFADMP Cc1ccc2ncc(C[N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000368131012 429793556 /nfs/dbraw/zinc/79/35/56/429793556.db2.gz IIQLIYGOFBWACG-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1ccc2ncc(C[N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000368131012 429793558 /nfs/dbraw/zinc/79/35/58/429793558.db2.gz IIQLIYGOFBWACG-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432354036 429818004 /nfs/dbraw/zinc/81/80/04/429818004.db2.gz SEILFCWEODBHBB-HZPDHXFCSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432354036 429818007 /nfs/dbraw/zinc/81/80/07/429818007.db2.gz SEILFCWEODBHBB-HZPDHXFCSA-N 2 1 308.441 2.847 20 0 DFADMP COc1ccccc1/C=C\C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432362628 429818396 /nfs/dbraw/zinc/81/83/96/429818396.db2.gz NJCDTIQGVSEODP-VWTAQGJOSA-N 2 1 318.461 2.799 20 0 DFADMP Cc1ccc(CCCN2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000368265803 429818773 /nfs/dbraw/zinc/81/87/73/429818773.db2.gz UYHVRZOOZMGKGK-WOJBJXKFSA-N 2 1 316.489 2.849 20 0 DFADMP Cc1ccc(CCCN2CCC[C@@H]2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000368265803 429818778 /nfs/dbraw/zinc/81/87/78/429818778.db2.gz UYHVRZOOZMGKGK-WOJBJXKFSA-N 2 1 316.489 2.849 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)OC)c1 ZINC000527919717 429818976 /nfs/dbraw/zinc/81/89/76/429818976.db2.gz JQVYFAOVYUTYKV-DTDBQYNISA-N 2 1 306.450 2.701 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000527921032 429821126 /nfs/dbraw/zinc/82/11/26/429821126.db2.gz PTVRZYZNJYKKBO-JCGIZDLHSA-N 2 1 306.450 2.703 20 0 DFADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432411013 429822540 /nfs/dbraw/zinc/82/25/40/429822540.db2.gz UPWVMBBRJIBSTI-IXDOHACOSA-N 2 1 312.498 2.669 20 0 DFADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432411013 429822544 /nfs/dbraw/zinc/82/25/44/429822544.db2.gz UPWVMBBRJIBSTI-IXDOHACOSA-N 2 1 312.498 2.669 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000527952043 429826408 /nfs/dbraw/zinc/82/64/08/429826408.db2.gz SRXFDEVIUNSMJU-VJANTYMQSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000527952043 429826412 /nfs/dbraw/zinc/82/64/12/429826412.db2.gz SRXFDEVIUNSMJU-VJANTYMQSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000527952043 429826417 /nfs/dbraw/zinc/82/64/17/429826417.db2.gz SRXFDEVIUNSMJU-VJANTYMQSA-N 2 1 305.510 2.856 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000527952043 429826419 /nfs/dbraw/zinc/82/64/19/429826419.db2.gz SRXFDEVIUNSMJU-VJANTYMQSA-N 2 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000527952043 429826422 /nfs/dbraw/zinc/82/64/22/429826422.db2.gz SRXFDEVIUNSMJU-VJANTYMQSA-N 2 1 305.510 2.856 20 0 DFADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000527998783 429833764 /nfs/dbraw/zinc/83/37/64/429833764.db2.gz ALHWHDHTOIPCCG-KRWDZBQOSA-N 2 1 315.461 2.666 20 0 DFADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cn1 ZINC000528041987 429839909 /nfs/dbraw/zinc/83/99/09/429839909.db2.gz CAWQCWWBWKRHFX-GOSISDBHSA-N 2 1 301.434 2.758 20 0 DFADMP COC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440036 429849697 /nfs/dbraw/zinc/84/96/97/429849697.db2.gz ZVMJIFBETSILFI-ROUUACIJSA-N 2 1 324.509 2.768 20 0 DFADMP COC1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440036 429849700 /nfs/dbraw/zinc/84/97/00/429849700.db2.gz ZVMJIFBETSILFI-ROUUACIJSA-N 2 1 324.509 2.768 20 0 DFADMP COC1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440036 429849705 /nfs/dbraw/zinc/84/97/05/429849705.db2.gz ZVMJIFBETSILFI-ROUUACIJSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H](C)[NH3+] ZINC000493991738 429852586 /nfs/dbraw/zinc/85/25/86/429852586.db2.gz IZBLLQXZLVNIBV-KFWWJZLASA-N 2 1 303.450 2.983 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@H]1Cc3[nH]c4ccccc4c3C1)C2 ZINC000368521221 429860538 /nfs/dbraw/zinc/86/05/38/429860538.db2.gz CSCYBQNWWZFLIE-ZIAGYGMSSA-N 2 1 306.413 2.684 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000368561403 429867034 /nfs/dbraw/zinc/86/70/34/429867034.db2.gz KEFOQWVIEZIYNW-INIZCTEOSA-N 2 1 313.449 2.744 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cccc(-n3cc[nH+]c3C)n2)C1 ZINC000368561403 429867037 /nfs/dbraw/zinc/86/70/37/429867037.db2.gz KEFOQWVIEZIYNW-INIZCTEOSA-N 2 1 313.449 2.744 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527876072 429812904 /nfs/dbraw/zinc/81/29/04/429812904.db2.gz JMISGQCFCCSVFQ-OAHLLOKOSA-N 2 1 310.445 3.000 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527876072 429812908 /nfs/dbraw/zinc/81/29/08/429812908.db2.gz JMISGQCFCCSVFQ-OAHLLOKOSA-N 2 1 310.445 3.000 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000528385356 429882740 /nfs/dbraw/zinc/88/27/40/429882740.db2.gz BPVYEJVFGSAERQ-WMZOPIPTSA-N 2 1 308.441 2.657 20 0 DFADMP CC[C@@]1(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)CCC[NH2+]1 ZINC000368659616 429883681 /nfs/dbraw/zinc/88/36/81/429883681.db2.gz OOWPYDGTHHJLNS-YJBOKZPZSA-N 2 1 318.465 2.702 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ncccc2Cl)C1 ZINC000528401081 429885562 /nfs/dbraw/zinc/88/55/62/429885562.db2.gz UVQAFJSJVNQFBJ-CQSZACIVSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528401081 429885563 /nfs/dbraw/zinc/88/55/63/429885563.db2.gz UVQAFJSJVNQFBJ-CQSZACIVSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CC(C)(C)C3)CC2)CC1 ZINC000528529023 429897540 /nfs/dbraw/zinc/89/75/40/429897540.db2.gz VGPFRWFXUPWSCL-UHFFFAOYSA-N 2 1 307.526 2.915 20 0 DFADMP Fc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1Br ZINC000368846038 429897792 /nfs/dbraw/zinc/89/77/92/429897792.db2.gz ORSDFLDLXTXHJZ-NSHDSACASA-N 2 1 324.197 2.889 20 0 DFADMP C[NH+]1CCC(NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000369183928 429917701 /nfs/dbraw/zinc/91/77/01/429917701.db2.gz ONPAVFCOYKEZFS-IBGZPJMESA-N 2 1 301.478 2.582 20 0 DFADMP Cc1cccc2ncc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)n21 ZINC000369198804 429918899 /nfs/dbraw/zinc/91/88/99/429918899.db2.gz QHKDZSPXMMJXKR-UHFFFAOYSA-N 2 1 312.461 2.951 20 0 DFADMP Cc1noc(C)c1C[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000556952889 429924065 /nfs/dbraw/zinc/92/40/65/429924065.db2.gz XWLKCKZTEGXIIQ-DOTOQJQBSA-N 2 1 317.408 2.913 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCNc2ccc3ccccc3n2)CC1(C)C ZINC000623442322 429926175 /nfs/dbraw/zinc/92/61/75/429926175.db2.gz JYSCCGXLLPEBNU-MRXNPFEDSA-N 2 1 312.461 3.109 20 0 DFADMP Cc1nccn1CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000494416236 429871754 /nfs/dbraw/zinc/87/17/54/429871754.db2.gz CNWSMJNDKWQRNV-KBPBESRZSA-N 2 1 322.453 2.521 20 0 DFADMP Cc1nccn1CCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@@H]1C ZINC000494416236 429871757 /nfs/dbraw/zinc/87/17/57/429871757.db2.gz CNWSMJNDKWQRNV-KBPBESRZSA-N 2 1 322.453 2.521 20 0 DFADMP C[C@H](C[C@@H](C)[NH2+]C[C@@H](C1CC1)[NH+](C)C)NC(=O)OC(C)(C)C ZINC000494473654 429874501 /nfs/dbraw/zinc/87/45/01/429874501.db2.gz VRUBPGLOQHRCFV-NFAWXSAZSA-N 2 1 313.486 2.608 20 0 DFADMP CC[N@@H+]1[C@H](C)CN(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000639741479 429964042 /nfs/dbraw/zinc/96/40/42/429964042.db2.gz AVCAYRWJRXLHRA-IYBDPMFKSA-N 2 1 307.457 2.672 20 0 DFADMP CC[NH+]1[C@H](C)CN(CC[N@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000639741479 429964046 /nfs/dbraw/zinc/96/40/46/429964046.db2.gz AVCAYRWJRXLHRA-IYBDPMFKSA-N 2 1 307.457 2.672 20 0 DFADMP CC[NH+]1[C@H](C)CN(CC[N@@H+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000639741479 429964049 /nfs/dbraw/zinc/96/40/49/429964049.db2.gz AVCAYRWJRXLHRA-IYBDPMFKSA-N 2 1 307.457 2.672 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccn(C4CCCC4)n3)C2)CC1 ZINC000639758157 429970892 /nfs/dbraw/zinc/97/08/92/429970892.db2.gz PKXOWFIDFNFAEG-UHFFFAOYSA-N 2 1 302.466 2.916 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)c(C)nc2s1 ZINC000369367008 429933502 /nfs/dbraw/zinc/93/35/02/429933502.db2.gz VBRRQDRSCLMRTO-ZDUSSCGKSA-N 2 1 315.446 2.561 20 0 DFADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)no1 ZINC000557336341 429937389 /nfs/dbraw/zinc/93/73/89/429937389.db2.gz PEWRVQHPEOVHRW-HZPDHXFCSA-N 2 1 314.433 2.600 20 0 DFADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)no1 ZINC000557336341 429937392 /nfs/dbraw/zinc/93/73/92/429937392.db2.gz PEWRVQHPEOVHRW-HZPDHXFCSA-N 2 1 314.433 2.600 20 0 DFADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000573288372 429941097 /nfs/dbraw/zinc/94/10/97/429941097.db2.gz YFFMNLYHAFPNIU-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000573288372 429941101 /nfs/dbraw/zinc/94/11/01/429941101.db2.gz YFFMNLYHAFPNIU-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000573300515 429941727 /nfs/dbraw/zinc/94/17/27/429941727.db2.gz XMIHXCMVXCCMRD-UHFFFAOYSA-N 2 1 318.465 2.530 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681990 429944116 /nfs/dbraw/zinc/94/41/16/429944116.db2.gz DIFJBYLUFHGQSK-UHFFFAOYSA-N 2 1 317.355 2.563 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCCN(c3cc[nH+]cc3)CC2)C1 ZINC000639684150 429947189 /nfs/dbraw/zinc/94/71/89/429947189.db2.gz RYOBGHIDZOBCSC-HDICACEKSA-N 2 1 316.493 2.572 20 0 DFADMP c1ccc2c(c1)O[C@H](C[NH2+]C1CC[NH+](C3CC3)CC1)CS2 ZINC000573369943 429948293 /nfs/dbraw/zinc/94/82/93/429948293.db2.gz QYQQAFKXQXFDRE-OAHLLOKOSA-N 2 1 304.459 2.756 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)CN1CCC(CCF)CC1 ZINC000639988639 430046480 /nfs/dbraw/zinc/04/64/80/430046480.db2.gz INZCUCOPPPYGBO-SFHVURJKSA-N 2 1 308.441 2.551 20 0 DFADMP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000573931010 429996234 /nfs/dbraw/zinc/99/62/34/429996234.db2.gz IDEPQWOZWSYCSF-HOCLYGCPSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000573931010 429996239 /nfs/dbraw/zinc/99/62/39/429996239.db2.gz IDEPQWOZWSYCSF-HOCLYGCPSA-N 2 1 321.465 2.652 20 0 DFADMP c1cn(-c2ccc(C[N@@H+]3CCC[C@@H]3c3ncccn3)cc2)cn1 ZINC000639845926 430000631 /nfs/dbraw/zinc/00/06/31/430000631.db2.gz OEHTXULHUNMNLA-QGZVFWFLSA-N 2 1 305.385 2.999 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]3c3ncccn3)cc2)cn1 ZINC000639845926 430000635 /nfs/dbraw/zinc/00/06/35/430000635.db2.gz OEHTXULHUNMNLA-QGZVFWFLSA-N 2 1 305.385 2.999 20 0 DFADMP C[C@@H](C[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)CO)c1ccccc1 ZINC000574098550 430010765 /nfs/dbraw/zinc/01/07/65/430010765.db2.gz QENUIDGWGJJUCX-IRXDYDNUSA-N 2 1 315.461 2.839 20 0 DFADMP C[C@@H](C[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)CO)c1ccccc1 ZINC000574098550 430010768 /nfs/dbraw/zinc/01/07/68/430010768.db2.gz QENUIDGWGJJUCX-IRXDYDNUSA-N 2 1 315.461 2.839 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639920691 430022100 /nfs/dbraw/zinc/02/21/00/430022100.db2.gz ZQGVNRLWLUJGBM-AWEZNQCLSA-N 2 1 313.323 2.534 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529548235 430026206 /nfs/dbraw/zinc/02/62/06/430026206.db2.gz JKUYIWXFAHVGOQ-RHSMWYFYSA-N 2 1 324.415 2.647 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529548235 430026212 /nfs/dbraw/zinc/02/62/12/430026212.db2.gz JKUYIWXFAHVGOQ-RHSMWYFYSA-N 2 1 324.415 2.647 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529548238 430026360 /nfs/dbraw/zinc/02/63/60/430026360.db2.gz JKUYIWXFAHVGOQ-YOEHRIQHSA-N 2 1 324.415 2.647 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529548238 430026362 /nfs/dbraw/zinc/02/63/62/430026362.db2.gz JKUYIWXFAHVGOQ-YOEHRIQHSA-N 2 1 324.415 2.647 20 0 DFADMP CC(F)(F)CCC[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716199 430088100 /nfs/dbraw/zinc/08/81/00/430088100.db2.gz QDPSGTHZGDZFNA-KRWDZBQOSA-N 2 1 312.404 2.648 20 0 DFADMP CC(F)(F)CCC[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716199 430088105 /nfs/dbraw/zinc/08/81/05/430088105.db2.gz QDPSGTHZGDZFNA-KRWDZBQOSA-N 2 1 312.404 2.648 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732240 430092877 /nfs/dbraw/zinc/09/28/77/430092877.db2.gz BHRYSXQPVOJWCR-CQSZACIVSA-N 2 1 322.449 2.580 20 0 DFADMP COc1cc(OC)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(OC)c1 ZINC000634732200 430093974 /nfs/dbraw/zinc/09/39/74/430093974.db2.gz AMTAGUTUOGIRRM-ZDUSSCGKSA-N 2 1 322.449 2.580 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732854 430094094 /nfs/dbraw/zinc/09/40/94/430094094.db2.gz QIEKQEYSSMIARJ-NEWSRXKRSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732854 430094097 /nfs/dbraw/zinc/09/40/97/430094097.db2.gz QIEKQEYSSMIARJ-NEWSRXKRSA-N 2 1 315.505 2.875 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634761751 430106718 /nfs/dbraw/zinc/10/67/18/430106718.db2.gz IINVFEMWCUUOOI-SJORKVTESA-N 2 1 317.477 2.574 20 0 DFADMP CCC1([NH+](C)C)CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000640016077 430055765 /nfs/dbraw/zinc/05/57/65/430055765.db2.gz SBZYZZGTMRFHPD-UHFFFAOYSA-N 2 1 303.494 2.925 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCOC(C)(C)C3)C2)nc(C)[nH+]1 ZINC000634681878 430075415 /nfs/dbraw/zinc/07/54/15/430075415.db2.gz AEBROEJPCLIABR-CVEARBPZSA-N 2 1 318.465 2.609 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000634686661 430078245 /nfs/dbraw/zinc/07/82/45/430078245.db2.gz PJAGNGUEJDRJTR-ZACQAIPSSA-N 2 1 312.498 2.528 20 0 DFADMP CCC[C@@H](C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637873330 430154638 /nfs/dbraw/zinc/15/46/38/430154638.db2.gz LTOJIZFKMMAQNY-MRXNPFEDSA-N 2 1 317.477 2.675 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000562617996 430155138 /nfs/dbraw/zinc/15/51/38/430155138.db2.gz ZCYSKPHXAMSANP-HOTGVXAUSA-N 2 1 304.482 2.910 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2cnccn2)CC1)CC1CC1 ZINC000562680061 430166420 /nfs/dbraw/zinc/16/64/20/430166420.db2.gz YEIZHCSALRXREL-UHFFFAOYSA-N 2 1 302.466 2.811 20 0 DFADMP CCC[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)C ZINC000535723665 430166831 /nfs/dbraw/zinc/16/68/31/430166831.db2.gz IVQHMDCXXBKVST-OAHLLOKOSA-N 2 1 318.465 2.844 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000581019691 430170772 /nfs/dbraw/zinc/17/07/72/430170772.db2.gz MLMOCFZKAKOHRJ-MAUKXSAKSA-N 2 1 311.429 2.972 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(C)C(C)C)CC2)CC1 ZINC000581079124 430176285 /nfs/dbraw/zinc/17/62/85/430176285.db2.gz BHHQIYTUFHNGFK-UHFFFAOYSA-N 2 1 323.525 2.734 20 0 DFADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000530694038 430121917 /nfs/dbraw/zinc/12/19/17/430121917.db2.gz KQDSMBHHJADPRY-ZFWWWQNUSA-N 2 1 318.465 2.536 20 0 DFADMP COc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC000530694038 430121921 /nfs/dbraw/zinc/12/19/21/430121921.db2.gz KQDSMBHHJADPRY-ZFWWWQNUSA-N 2 1 318.465 2.536 20 0 DFADMP Cc1cc2ccccc2nc1NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000562412695 430130109 /nfs/dbraw/zinc/13/01/09/430130109.db2.gz GGXLVWDUXQCGFN-INIZCTEOSA-N 2 1 313.445 3.456 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000580702063 430145796 /nfs/dbraw/zinc/14/57/96/430145796.db2.gz VVNRIMOUAKWSEL-HUUCEWRRSA-N 2 1 315.461 2.954 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](C)C(C)(C)C)CC1 ZINC000640350657 430146498 /nfs/dbraw/zinc/14/64/98/430146498.db2.gz SDBRYTDIXODQAQ-OAHLLOKOSA-N 2 1 311.514 2.589 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](C)C(C)(C)C)CC1 ZINC000640350656 430147212 /nfs/dbraw/zinc/14/72/12/430147212.db2.gz SDBRYTDIXODQAQ-HNNXBMFYSA-N 2 1 311.514 2.589 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684194 277044174 /nfs/dbraw/zinc/04/41/74/277044174.db2.gz AMMLDWQWFGDERW-KGLIPLIRSA-N 2 1 308.388 2.640 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684194 277044177 /nfs/dbraw/zinc/04/41/77/277044177.db2.gz AMMLDWQWFGDERW-KGLIPLIRSA-N 2 1 308.388 2.640 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684194 277044178 /nfs/dbraw/zinc/04/41/78/277044178.db2.gz AMMLDWQWFGDERW-KGLIPLIRSA-N 2 1 308.388 2.640 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684194 277044179 /nfs/dbraw/zinc/04/41/79/277044179.db2.gz AMMLDWQWFGDERW-KGLIPLIRSA-N 2 1 308.388 2.640 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000128503245 277051591 /nfs/dbraw/zinc/05/15/91/277051591.db2.gz UMIPXGSQKJVJCG-MRXNPFEDSA-N 2 1 307.507 2.743 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000634997287 430186589 /nfs/dbraw/zinc/18/65/89/430186589.db2.gz IDHNQGSHFCFQBQ-DFBGVHRSSA-N 2 1 316.367 2.859 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Br)cn1 ZINC000581220206 430187885 /nfs/dbraw/zinc/18/78/85/430187885.db2.gz CLRDKMOLSFCBCG-MWLCHTKSSA-N 2 1 321.222 2.775 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998113 430188533 /nfs/dbraw/zinc/18/85/33/430188533.db2.gz AUJBFWUQAYYIDR-ONGXEEELSA-N 2 1 304.768 2.968 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998113 430188538 /nfs/dbraw/zinc/18/85/38/430188538.db2.gz AUJBFWUQAYYIDR-ONGXEEELSA-N 2 1 304.768 2.968 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998450 430189704 /nfs/dbraw/zinc/18/97/04/430189704.db2.gz FTIYNAFLXIAPIT-YPMHNXCESA-N 2 1 304.825 2.757 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000634999033 430189840 /nfs/dbraw/zinc/18/98/40/430189840.db2.gz PAXOFKHMTDBIAE-YCPHGPKFSA-N 2 1 306.450 2.899 20 0 DFADMP CCC[C@H](C[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635000243 430189949 /nfs/dbraw/zinc/18/99/49/430189949.db2.gz KCUKAYHQGYWTSE-AEFFLSMTSA-N 2 1 313.449 2.568 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000634998643 430190578 /nfs/dbraw/zinc/19/05/78/430190578.db2.gz IZJLICAZIYMJNS-GXTWGEPZSA-N 2 1 304.825 2.552 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000635000478 430190590 /nfs/dbraw/zinc/19/05/90/430190590.db2.gz PCVRGQLNWCQQLB-YPMHNXCESA-N 2 1 312.841 2.774 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000635000478 430190595 /nfs/dbraw/zinc/19/05/95/430190595.db2.gz PCVRGQLNWCQQLB-YPMHNXCESA-N 2 1 312.841 2.774 20 0 DFADMP c1cc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635003791 430191254 /nfs/dbraw/zinc/19/12/54/430191254.db2.gz LRZGFUXLBBLMJK-HSALFYBXSA-N 2 1 313.489 2.733 20 0 DFADMP CC(C)N1CCC[C@H]([N@@H+](C)CCCC[NH+]2CCCCC2)C1=O ZINC000640532284 430191376 /nfs/dbraw/zinc/19/13/76/430191376.db2.gz CPBYFOMHKSJRSJ-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H](CC1CCCCC1)C[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000635000836 430191722 /nfs/dbraw/zinc/19/17/22/430191722.db2.gz WUPNAIBRWNWWOL-RHSMWYFYSA-N 2 1 305.470 2.590 20 0 DFADMP C[C@H]1CCCN1C(=O)CC[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532297 430191759 /nfs/dbraw/zinc/19/17/59/430191759.db2.gz CYPRFXXNMHGSRZ-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP C[C@@H]1C[C@@H](C)CN(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000640530749 430192131 /nfs/dbraw/zinc/19/21/31/430192131.db2.gz CDQBETIOMJUFDP-QZTJIDSGSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@H](C(=O)N1CCCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531457 430192166 /nfs/dbraw/zinc/19/21/66/430192166.db2.gz JWXGHDRACQPRGP-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000635003493 430192224 /nfs/dbraw/zinc/19/22/24/430192224.db2.gz KFMKYVRHAQSKCE-BRHOPSAPSA-N 2 1 321.262 2.817 20 0 DFADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000635005345 430193333 /nfs/dbraw/zinc/19/33/33/430193333.db2.gz UROGEFAJDSNJGT-IXXDHKBRSA-N 2 1 314.351 2.611 20 0 DFADMP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]cc2Br)C1 ZINC000281226566 277156314 /nfs/dbraw/zinc/15/63/14/277156314.db2.gz OUTOJJMCUMTDOV-WCQYABFASA-N 2 1 310.239 2.765 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2c2cc[nH+]cc2Br)C1 ZINC000281226566 277156315 /nfs/dbraw/zinc/15/63/15/277156315.db2.gz OUTOJJMCUMTDOV-WCQYABFASA-N 2 1 310.239 2.765 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000635011528 430196281 /nfs/dbraw/zinc/19/62/81/430196281.db2.gz GCBZIFJJCQMJTK-NZSAHSFTSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000635011528 430196286 /nfs/dbraw/zinc/19/62/86/430196286.db2.gz GCBZIFJJCQMJTK-NZSAHSFTSA-N 2 1 301.478 2.547 20 0 DFADMP c1ccc(C[N@H+]2CCCCC[C@@H](NC3CC[NH2+]CC3)C2)cc1 ZINC000635016489 430197914 /nfs/dbraw/zinc/19/79/14/430197914.db2.gz CCCKPUKSCCVHGM-LJQANCHMSA-N 2 1 301.478 2.773 20 0 DFADMP C[N@@H+](CC(=O)NC[C@@H](c1ccco1)[NH+]1CCCC1)CC(C)(C)C ZINC000635111961 430211593 /nfs/dbraw/zinc/21/15/93/430211593.db2.gz QQPSKNMELRAJIO-HNNXBMFYSA-N 2 1 321.465 2.511 20 0 DFADMP COc1cc(F)cc(OC)c1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000638029239 430211819 /nfs/dbraw/zinc/21/18/19/430211819.db2.gz NVCCTOXJZFOKTR-UHFFFAOYSA-N 2 1 310.413 2.617 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CCN(CC(C)(C)Oc2ccccc2)CC1 ZINC000638047745 430218798 /nfs/dbraw/zinc/21/87/98/430218798.db2.gz LIKMKGIFLBGEGA-INIZCTEOSA-N 2 1 320.477 2.621 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638047745 430218802 /nfs/dbraw/zinc/21/88/02/430218802.db2.gz LIKMKGIFLBGEGA-INIZCTEOSA-N 2 1 320.477 2.621 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638047745 430218806 /nfs/dbraw/zinc/21/88/06/430218806.db2.gz LIKMKGIFLBGEGA-INIZCTEOSA-N 2 1 320.477 2.621 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)(C)C)C2)c1 ZINC000640626681 430218959 /nfs/dbraw/zinc/21/89/59/430218959.db2.gz KQOHHCCVQYYTSV-KRWDZBQOSA-N 2 1 317.477 2.551 20 0 DFADMP CO[C@@]1(C[NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)CCOC1 ZINC000638154791 430253802 /nfs/dbraw/zinc/25/38/02/430253802.db2.gz UWHYVIUUBGKBKP-PKOBYXMFSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000635326084 430256138 /nfs/dbraw/zinc/25/61/38/430256138.db2.gz UFRZUOCYGXLTBQ-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635326084 430256141 /nfs/dbraw/zinc/25/61/41/430256141.db2.gz UFRZUOCYGXLTBQ-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635326084 430256146 /nfs/dbraw/zinc/25/61/46/430256146.db2.gz UFRZUOCYGXLTBQ-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cccc(OC)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000638175995 430262594 /nfs/dbraw/zinc/26/25/94/430262594.db2.gz BDDUMROKVHUXQM-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000638175995 430262599 /nfs/dbraw/zinc/26/25/99/430262599.db2.gz BDDUMROKVHUXQM-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000638175995 430262603 /nfs/dbraw/zinc/26/26/03/430262603.db2.gz BDDUMROKVHUXQM-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000638175995 430262607 /nfs/dbraw/zinc/26/26/07/430262607.db2.gz BDDUMROKVHUXQM-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)Cc3ccsc3)C2)CC1 ZINC000544023977 430270799 /nfs/dbraw/zinc/27/07/99/430270799.db2.gz QBVLYEGWSGDOIN-AEFFLSMTSA-N 2 1 321.534 2.779 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000582129824 430271458 /nfs/dbraw/zinc/27/14/58/430271458.db2.gz DUVVQGSFBIRAIR-UHFFFAOYSA-N 2 1 308.441 2.583 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCC=CCC2)CC1 ZINC000635411870 430272926 /nfs/dbraw/zinc/27/29/26/430272926.db2.gz XDNHEQRZGWLAEQ-UHFFFAOYSA-N 2 1 314.433 2.518 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635425757 430275575 /nfs/dbraw/zinc/27/55/75/430275575.db2.gz OHGWVJXTVFOWAE-GOSISDBHSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635425757 430275579 /nfs/dbraw/zinc/27/55/79/430275579.db2.gz OHGWVJXTVFOWAE-GOSISDBHSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635425757 430275582 /nfs/dbraw/zinc/27/55/82/430275582.db2.gz OHGWVJXTVFOWAE-GOSISDBHSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC000635426573 430276454 /nfs/dbraw/zinc/27/64/54/430276454.db2.gz WPLANKAGQKEILQ-UHFFFAOYSA-N 2 1 311.514 2.543 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC000635426573 430276458 /nfs/dbraw/zinc/27/64/58/430276458.db2.gz WPLANKAGQKEILQ-UHFFFAOYSA-N 2 1 311.514 2.543 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635426573 430276462 /nfs/dbraw/zinc/27/64/62/430276462.db2.gz WPLANKAGQKEILQ-UHFFFAOYSA-N 2 1 311.514 2.543 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)n1 ZINC000581607724 430225530 /nfs/dbraw/zinc/22/55/30/430225530.db2.gz RAODWXZWBSYLOA-LJQANCHMSA-N 2 1 310.445 2.663 20 0 DFADMP Cc1ccc(-n2ccnc2)c(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000542824073 430228050 /nfs/dbraw/zinc/22/80/50/430228050.db2.gz DCMCWMSCAODGLZ-HNNXBMFYSA-N 2 1 324.428 2.561 20 0 DFADMP Cc1ccc(-n2ccnc2)c(C(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000542824074 430228365 /nfs/dbraw/zinc/22/83/65/430228365.db2.gz DCMCWMSCAODGLZ-OAHLLOKOSA-N 2 1 324.428 2.561 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(OC)cccc2OC)[C@@H](C)C1 ZINC000638110983 430238419 /nfs/dbraw/zinc/23/84/19/430238419.db2.gz ATTPQWCABCCBST-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2oc(C[NH3+])cc2C)C1 ZINC000638112930 430238601 /nfs/dbraw/zinc/23/86/01/430238601.db2.gz XGHFLGLDKADCQH-CQSZACIVSA-N 2 1 321.465 2.677 20 0 DFADMP Cc1ccc(NCC(C)(C)[NH+]2CCOCC2)c(C[NH+](C)C)c1 ZINC000638257685 430286485 /nfs/dbraw/zinc/28/64/85/430286485.db2.gz CWAUZTLTPVKENG-UHFFFAOYSA-N 2 1 305.466 2.579 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000567747885 430287463 /nfs/dbraw/zinc/28/74/63/430287463.db2.gz CMGAWXTVDLAZBM-WJFTUGDTSA-N 2 1 302.462 2.567 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000567747885 430287465 /nfs/dbraw/zinc/28/74/65/430287465.db2.gz CMGAWXTVDLAZBM-WJFTUGDTSA-N 2 1 302.462 2.567 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000567747885 430287469 /nfs/dbraw/zinc/28/74/69/430287469.db2.gz CMGAWXTVDLAZBM-WJFTUGDTSA-N 2 1 302.462 2.567 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21 ZINC000567747885 430287470 /nfs/dbraw/zinc/28/74/70/430287470.db2.gz CMGAWXTVDLAZBM-WJFTUGDTSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000638305441 430299664 /nfs/dbraw/zinc/29/96/64/430299664.db2.gz XLKHNHNHIZADCL-YOEHRIQHSA-N 2 1 306.475 2.502 20 0 DFADMP CO[C@H](C[NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000638311302 430301069 /nfs/dbraw/zinc/30/10/69/430301069.db2.gz ZCJYQLCENDBQBV-LJQANCHMSA-N 2 1 320.477 2.540 20 0 DFADMP Cc1ccccc1[C@H](C)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000568095471 430316861 /nfs/dbraw/zinc/31/68/61/430316861.db2.gz DCCQAOWOOIUUJS-INIZCTEOSA-N 2 1 302.462 2.883 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC1(F)F ZINC000638367193 430319018 /nfs/dbraw/zinc/31/90/18/430319018.db2.gz MTTNQROJQREBCI-WMLDXEAASA-N 2 1 323.431 2.567 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638371957 430319756 /nfs/dbraw/zinc/31/97/56/430319756.db2.gz UXVUPDHHTINONZ-ZENOOKHLSA-N 2 1 323.868 2.546 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638371957 430319758 /nfs/dbraw/zinc/31/97/58/430319758.db2.gz UXVUPDHHTINONZ-ZENOOKHLSA-N 2 1 323.868 2.546 20 0 DFADMP C[C@H](c1nccc(N)n1)[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000568164848 430321691 /nfs/dbraw/zinc/32/16/91/430321691.db2.gz BQHHOOCMYZPSEL-OAHLLOKOSA-N 2 1 317.481 2.708 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638409114 430333759 /nfs/dbraw/zinc/33/37/59/430333759.db2.gz JDRPFTQHXDEFNG-ROUUACIJSA-N 2 1 301.478 2.834 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635650891 430335153 /nfs/dbraw/zinc/33/51/53/430335153.db2.gz DENBEPWHYLOZMX-UHFFFAOYSA-N 2 1 305.466 2.973 20 0 DFADMP CC[C@@](C)(C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)OC ZINC000638420496 430337557 /nfs/dbraw/zinc/33/75/57/430337557.db2.gz OFXCASMIDXYNEE-LPHOPBHVSA-N 2 1 320.477 2.812 20 0 DFADMP CC[C@@](C)(C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)OC ZINC000638420496 430337559 /nfs/dbraw/zinc/33/75/59/430337559.db2.gz OFXCASMIDXYNEE-LPHOPBHVSA-N 2 1 320.477 2.812 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH2+]C(C)C ZINC000582839253 430338844 /nfs/dbraw/zinc/33/88/44/430338844.db2.gz JPLIDJHYQGQQCF-ZDUSSCGKSA-N 2 1 307.438 2.692 20 0 DFADMP CC[N@H+]1CCC[C@H](CNCc2ccccc2OCCCCO)C1 ZINC000638451947 430345899 /nfs/dbraw/zinc/34/58/99/430345899.db2.gz SGAZBHACYKHZMD-QGZVFWFLSA-N 2 1 320.477 2.659 20 0 DFADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000638451947 430345903 /nfs/dbraw/zinc/34/59/03/430345903.db2.gz SGAZBHACYKHZMD-QGZVFWFLSA-N 2 1 320.477 2.659 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000638451947 430345907 /nfs/dbraw/zinc/34/59/07/430345907.db2.gz SGAZBHACYKHZMD-QGZVFWFLSA-N 2 1 320.477 2.659 20 0 DFADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638700678 430412132 /nfs/dbraw/zinc/41/21/32/430412132.db2.gz UJUUERKTMQXGAB-HHXXYDBFSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638700678 430412136 /nfs/dbraw/zinc/41/21/36/430412136.db2.gz UJUUERKTMQXGAB-HHXXYDBFSA-N 2 1 302.462 2.963 20 0 DFADMP c1n[nH]c2c1CCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380972 430353036 /nfs/dbraw/zinc/35/30/36/430353036.db2.gz WARXSIQCJPHVFT-FRQCXROJSA-N 2 1 324.428 2.633 20 0 DFADMP c1[nH]nc2c1CCC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380972 430353040 /nfs/dbraw/zinc/35/30/40/430353040.db2.gz WARXSIQCJPHVFT-FRQCXROJSA-N 2 1 324.428 2.633 20 0 DFADMP CC[C@@H]1CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568412379 430357187 /nfs/dbraw/zinc/35/71/87/430357187.db2.gz SJOLVOVTXRUINI-QGZVFWFLSA-N 2 1 321.509 2.584 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000638522198 430366908 /nfs/dbraw/zinc/36/69/08/430366908.db2.gz YDUNZKULXLOBFB-HXUWFJFHSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000568541888 430369427 /nfs/dbraw/zinc/36/94/27/430369427.db2.gz SHADMNWVZJCUKI-WMLDXEAASA-N 2 1 304.434 2.856 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638571233 430377673 /nfs/dbraw/zinc/37/76/73/430377673.db2.gz HRSCBCSRLIHMQM-QGZVFWFLSA-N 2 1 319.493 2.587 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638566406 430378910 /nfs/dbraw/zinc/37/89/10/430378910.db2.gz HXFGJFIXCNTEAQ-IXDOHACOSA-N 2 1 309.498 2.678 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638566406 430378914 /nfs/dbraw/zinc/37/89/14/430378914.db2.gz HXFGJFIXCNTEAQ-IXDOHACOSA-N 2 1 309.498 2.678 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@H+]2CC[C@H](C)C2)cc1 ZINC000568645829 430379474 /nfs/dbraw/zinc/37/94/74/430379474.db2.gz ADQVHTUPKUAUBA-HNNXBMFYSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)cc1 ZINC000638572502 430379838 /nfs/dbraw/zinc/37/98/38/430379838.db2.gz MSTCRGNERCBENU-ZWKOTPCHSA-N 2 1 317.477 2.789 20 0 DFADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)COC1 ZINC000638595677 430384827 /nfs/dbraw/zinc/38/48/27/430384827.db2.gz VATCICGJIIZEPW-AEFFLSMTSA-N 2 1 300.446 2.981 20 0 DFADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)COC1 ZINC000638595677 430384831 /nfs/dbraw/zinc/38/48/31/430384831.db2.gz VATCICGJIIZEPW-AEFFLSMTSA-N 2 1 300.446 2.981 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)ns2)[C@@H](C)C1 ZINC000638595466 430385560 /nfs/dbraw/zinc/38/55/60/430385560.db2.gz SYNZXSSOQUWSEY-XJKSGUPXSA-N 2 1 311.495 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)ns2)[C@@H](C)C1 ZINC000638595466 430385562 /nfs/dbraw/zinc/38/55/62/430385562.db2.gz SYNZXSSOQUWSEY-XJKSGUPXSA-N 2 1 311.495 2.678 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638606982 430387329 /nfs/dbraw/zinc/38/73/29/430387329.db2.gz BOPMDSMHXCDHHS-NZSAHSFTSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638606982 430387331 /nfs/dbraw/zinc/38/73/31/430387331.db2.gz BOPMDSMHXCDHHS-NZSAHSFTSA-N 2 1 302.462 2.961 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)CC(F)(F)F)c1 ZINC000568741378 430388709 /nfs/dbraw/zinc/38/87/09/430388709.db2.gz SKPJSEVQZUFYCC-CQSZACIVSA-N 2 1 304.356 2.541 20 0 DFADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000568766796 430391898 /nfs/dbraw/zinc/39/18/98/430391898.db2.gz MVNPIRLRJVEFHF-NVXWUHKLSA-N 2 1 317.477 2.513 20 0 DFADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000635851140 430392874 /nfs/dbraw/zinc/39/28/74/430392874.db2.gz RDTZYOUKQVMHLQ-SZMVWBNQSA-N 2 1 317.477 2.587 20 0 DFADMP C[NH+](CCC(=O)NCC[N@H+](C)C1CCCC1)C1CCCCC1 ZINC000547430084 430393161 /nfs/dbraw/zinc/39/31/61/430393161.db2.gz VBMNFJWDLOTRCQ-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCNC(=O)CC[N@H+](C)C1CCCCC1)C1CCCC1 ZINC000547430084 430393165 /nfs/dbraw/zinc/39/31/65/430393165.db2.gz VBMNFJWDLOTRCQ-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)C1CCCC1 ZINC000547430084 430393167 /nfs/dbraw/zinc/39/31/67/430393167.db2.gz VBMNFJWDLOTRCQ-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H](Nc1cc[nH+]cc1Br)C(C)(C)C[NH+](C)C ZINC000547502909 430400461 /nfs/dbraw/zinc/40/04/61/430400461.db2.gz KWCZZWPIOIIJLC-JTQLQIEISA-N 2 1 300.244 2.654 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CCc3cnccn3)CC23CC3)cc1 ZINC000568881574 430402784 /nfs/dbraw/zinc/40/27/84/430402784.db2.gz JUDSAUNYERWKMO-GOSISDBHSA-N 2 1 322.456 2.806 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CCc3cnccn3)CC23CC3)cc1 ZINC000568881574 430402789 /nfs/dbraw/zinc/40/27/89/430402789.db2.gz JUDSAUNYERWKMO-GOSISDBHSA-N 2 1 322.456 2.806 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)ccc21 ZINC000635997363 430433702 /nfs/dbraw/zinc/43/37/02/430433702.db2.gz UTTCSUOACMCFIR-GUYCJALGSA-N 2 1 301.434 2.516 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1C ZINC000641809275 430480704 /nfs/dbraw/zinc/48/07/04/430480704.db2.gz QHMXCLKYZFZGAT-MCIONIFRSA-N 2 1 307.413 2.602 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1C ZINC000641809275 430480710 /nfs/dbraw/zinc/48/07/10/430480710.db2.gz QHMXCLKYZFZGAT-MCIONIFRSA-N 2 1 307.413 2.602 20 0 DFADMP C[C@H](O)C[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638796841 430436895 /nfs/dbraw/zinc/43/68/95/430436895.db2.gz MSNOCJZTECTOEX-QFBILLFUSA-N 2 1 304.478 2.895 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000583942555 430444140 /nfs/dbraw/zinc/44/41/40/430444140.db2.gz IBLFZRMYJBNZHN-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@@H](O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000583942555 430444146 /nfs/dbraw/zinc/44/41/46/430444146.db2.gz IBLFZRMYJBNZHN-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000583942555 430444152 /nfs/dbraw/zinc/44/41/52/430444152.db2.gz IBLFZRMYJBNZHN-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP C[C@H]([N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000548113907 430447451 /nfs/dbraw/zinc/44/74/51/430447451.db2.gz OJPJQCYENZDPIN-DOTOQJQBSA-N 2 1 319.493 2.772 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641728381 430453556 /nfs/dbraw/zinc/45/35/56/430453556.db2.gz RADGKUNVOXUNAM-HNNXBMFYSA-N 2 1 310.445 2.979 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852286 430454944 /nfs/dbraw/zinc/45/49/44/430454944.db2.gz XBYUYBQOTOSBHD-FUHWJXTLSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852285 430455488 /nfs/dbraw/zinc/45/54/88/430455488.db2.gz XBYUYBQOTOSBHD-AEFFLSMTSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000641746110 430458277 /nfs/dbraw/zinc/45/82/77/430458277.db2.gz MZJSTTXKKJQSFQ-YJBOKZPZSA-N 2 1 310.445 2.664 20 0 DFADMP C([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCSCC1 ZINC000638864244 430459808 /nfs/dbraw/zinc/45/98/08/430459808.db2.gz MIVTZBXNLAAZOF-UHFFFAOYSA-N 2 1 312.523 2.754 20 0 DFADMP Cc1[nH+]cc(CNc2cccc(C[NH+]3CCSCC3)c2)n1C ZINC000584124631 430463105 /nfs/dbraw/zinc/46/31/05/430463105.db2.gz KKJHNCGNQVLYFM-UHFFFAOYSA-N 2 1 316.474 2.889 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000641772504 430468915 /nfs/dbraw/zinc/46/89/15/430468915.db2.gz PLKRJCICIOCDEQ-JFDDCEBESA-N 2 1 312.404 2.660 20 0 DFADMP C[N@H+](CCC(=O)N1CCC(c2cnc[nH]2)CC1)C1CCCCC1 ZINC000548389395 430469493 /nfs/dbraw/zinc/46/94/93/430469493.db2.gz CWSDXEWXMKAGCS-UHFFFAOYSA-N 2 1 318.465 2.770 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC(c2cnc[nH]2)CC1)C1CCCCC1 ZINC000548389395 430469498 /nfs/dbraw/zinc/46/94/98/430469498.db2.gz CWSDXEWXMKAGCS-UHFFFAOYSA-N 2 1 318.465 2.770 20 0 DFADMP CCCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000584241721 430472118 /nfs/dbraw/zinc/47/21/18/430472118.db2.gz SNJVGUCJERZAGE-UHFFFAOYSA-N 2 1 323.525 2.830 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641802882 430475724 /nfs/dbraw/zinc/47/57/24/430475724.db2.gz BSMXIWTXKQNUSZ-PYTWLRIVSA-N 2 1 317.477 2.530 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)C1CCCC1 ZINC000638730466 430419844 /nfs/dbraw/zinc/41/98/44/430419844.db2.gz WSJRRGDIXBTRKY-SFHVURJKSA-N 2 1 312.498 2.671 20 0 DFADMP CO[C@@]1(C)CCC[NH+](CCCC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000547770798 430420823 /nfs/dbraw/zinc/42/08/23/430420823.db2.gz HOSKMALGAQZFMB-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H]2CCC3(CCCC3)O2)C1 ZINC000641818037 430482959 /nfs/dbraw/zinc/48/29/59/430482959.db2.gz CCJLVBFFHAERKX-TVFCKZIOSA-N 2 1 322.493 2.839 20 0 DFADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000638973159 430485446 /nfs/dbraw/zinc/48/54/46/430485446.db2.gz XZUMQGOZKFXJFT-NEWSRXKRSA-N 2 1 318.461 2.606 20 0 DFADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000638973159 430485450 /nfs/dbraw/zinc/48/54/50/430485450.db2.gz XZUMQGOZKFXJFT-NEWSRXKRSA-N 2 1 318.461 2.606 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)C1 ZINC000638976489 430486213 /nfs/dbraw/zinc/48/62/13/430486213.db2.gz ISTPWMZDCHEGQE-WOUAJJJCSA-N 2 1 314.473 2.779 20 0 DFADMP Cc1ccc(CC[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)cc1 ZINC000638977565 430486562 /nfs/dbraw/zinc/48/65/62/430486562.db2.gz VAVCYHFUPNRKAM-NRFANRHFSA-N 2 1 324.468 2.894 20 0 DFADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080349 430515497 /nfs/dbraw/zinc/51/54/97/430515497.db2.gz LGJLKGHOBFJTGJ-YTQUADARSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080349 430515502 /nfs/dbraw/zinc/51/55/02/430515502.db2.gz LGJLKGHOBFJTGJ-YTQUADARSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080349 430515503 /nfs/dbraw/zinc/51/55/03/430515503.db2.gz LGJLKGHOBFJTGJ-YTQUADARSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639080349 430515505 /nfs/dbraw/zinc/51/55/05/430515505.db2.gz LGJLKGHOBFJTGJ-YTQUADARSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639080349 430515509 /nfs/dbraw/zinc/51/55/09/430515509.db2.gz LGJLKGHOBFJTGJ-YTQUADARSA-N 2 1 319.493 2.896 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000639081652 430516553 /nfs/dbraw/zinc/51/65/53/430516553.db2.gz SGZXIRJLBFGQAT-RTBURBONSA-N 2 1 317.477 2.937 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000639081652 430516558 /nfs/dbraw/zinc/51/65/58/430516558.db2.gz SGZXIRJLBFGQAT-RTBURBONSA-N 2 1 317.477 2.937 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](CCC[C@@H]2CCO2)CC1 ZINC000639081652 430516562 /nfs/dbraw/zinc/51/65/62/430516562.db2.gz SGZXIRJLBFGQAT-RTBURBONSA-N 2 1 317.477 2.937 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](CCC[C@@H]2CCO2)CC1 ZINC000639081652 430516567 /nfs/dbraw/zinc/51/65/67/430516567.db2.gz SGZXIRJLBFGQAT-RTBURBONSA-N 2 1 317.477 2.937 20 0 DFADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570202044 430521854 /nfs/dbraw/zinc/52/18/54/430521854.db2.gz AZCXCNRBYFYLRA-LJHODMEESA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570202044 430521858 /nfs/dbraw/zinc/52/18/58/430521858.db2.gz AZCXCNRBYFYLRA-LJHODMEESA-N 2 1 302.462 2.745 20 0 DFADMP CO[C@@H](C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)CC(C)C ZINC000642685557 430525645 /nfs/dbraw/zinc/52/56/45/430525645.db2.gz LFNASNJSHATCOY-IAGOWNOFSA-N 2 1 320.481 2.713 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]C[C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000639104305 430526847 /nfs/dbraw/zinc/52/68/47/430526847.db2.gz BAKHMLWSRQMZIL-SJORKVTESA-N 2 1 310.445 2.562 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]C[C@H]1CCN(c3ccccc3)C1)CC2 ZINC000639104298 430526995 /nfs/dbraw/zinc/52/69/95/430526995.db2.gz BAKHMLWSRQMZIL-DLBZAZTESA-N 2 1 310.445 2.562 20 0 DFADMP C[C@@H]1C[C@H](Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000639114625 430530503 /nfs/dbraw/zinc/53/05/03/430530503.db2.gz GMEZFRCLRCFAJY-CKEIUWERSA-N 2 1 303.450 2.966 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000570333320 430533087 /nfs/dbraw/zinc/53/30/87/430533087.db2.gz ZYXTUTDOUHZQKB-CQSZACIVSA-N 2 1 322.412 2.792 20 0 DFADMP COc1cccc(C)c1C[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000639139231 430538744 /nfs/dbraw/zinc/53/87/44/430538744.db2.gz LDPNNDFDSLWBSM-KRWDZBQOSA-N 2 1 318.461 2.548 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c(F)c1 ZINC000639139390 430539736 /nfs/dbraw/zinc/53/97/36/430539736.db2.gz MLQHEDZSWIBYQD-INIZCTEOSA-N 2 1 306.425 2.678 20 0 DFADMP Cc1ccc(CN2CCC[C@@H](C[NH+]3CCOCC3)C2)c(F)c1 ZINC000639139390 430539740 /nfs/dbraw/zinc/53/97/40/430539740.db2.gz MLQHEDZSWIBYQD-INIZCTEOSA-N 2 1 306.425 2.678 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000639177328 430554995 /nfs/dbraw/zinc/55/49/95/430554995.db2.gz RUQLJRALFJVWJM-INIZCTEOSA-N 2 1 303.450 2.562 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180435 430559003 /nfs/dbraw/zinc/55/90/03/430559003.db2.gz WSLIXCGGBLIAAO-ZHALLVOQSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180435 430559005 /nfs/dbraw/zinc/55/90/05/430559005.db2.gz WSLIXCGGBLIAAO-ZHALLVOQSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180435 430559007 /nfs/dbraw/zinc/55/90/07/430559007.db2.gz WSLIXCGGBLIAAO-ZHALLVOQSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180435 430559010 /nfs/dbraw/zinc/55/90/10/430559010.db2.gz WSLIXCGGBLIAAO-ZHALLVOQSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180435 430559011 /nfs/dbraw/zinc/55/90/11/430559011.db2.gz WSLIXCGGBLIAAO-ZHALLVOQSA-N 2 1 301.478 2.785 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCn2ccnc2C1 ZINC000639180502 430559416 /nfs/dbraw/zinc/55/94/16/430559416.db2.gz ZFJNNORZRPFSAN-ZWKOTPCHSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639180502 430559418 /nfs/dbraw/zinc/55/94/18/430559418.db2.gz ZFJNNORZRPFSAN-ZWKOTPCHSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639180502 430559422 /nfs/dbraw/zinc/55/94/22/430559422.db2.gz ZFJNNORZRPFSAN-ZWKOTPCHSA-N 2 1 324.472 2.904 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)Cc1ccc(OC)c(OC)c1 ZINC000570695513 430569226 /nfs/dbraw/zinc/56/92/26/430569226.db2.gz VVMHZENGFICSPY-UHFFFAOYSA-N 2 1 317.433 2.892 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)Cc1ccc(OC)c(OC)c1 ZINC000570695513 430569229 /nfs/dbraw/zinc/56/92/29/430569229.db2.gz VVMHZENGFICSPY-UHFFFAOYSA-N 2 1 317.433 2.892 20 0 DFADMP C[C@@H](CN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000639233936 430581766 /nfs/dbraw/zinc/58/17/66/430581766.db2.gz YZRAWBIDCTYJJM-IEZWGBDMSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2cccc(C(F)(F)F)c2)CC1 ZINC000570940078 430591056 /nfs/dbraw/zinc/59/10/56/430591056.db2.gz COROAGXDJBIOEV-UHFFFAOYSA-N 2 1 316.367 2.642 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(CCCc2c[nH+]cn2C)C1 ZINC000570938118 430591207 /nfs/dbraw/zinc/59/12/07/430591207.db2.gz CFRIZYIHJIVKNQ-SOLBZPMBSA-N 2 1 304.482 2.690 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(CCCc2c[nH+]cn2C)C1 ZINC000570938118 430591209 /nfs/dbraw/zinc/59/12/09/430591209.db2.gz CFRIZYIHJIVKNQ-SOLBZPMBSA-N 2 1 304.482 2.690 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550700405 430545470 /nfs/dbraw/zinc/54/54/70/430545470.db2.gz HVOUHJSGSMMBNQ-WMZOPIPTSA-N 2 1 302.462 2.948 20 0 DFADMP C(C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643057525 430545888 /nfs/dbraw/zinc/54/58/88/430545888.db2.gz NGMZLWDOHKCLOR-ZFWWWQNUSA-N 2 1 304.438 2.864 20 0 DFADMP C(C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1)[C@@H]1CCC[NH2+]C1 ZINC000643057525 430545892 /nfs/dbraw/zinc/54/58/92/430545892.db2.gz NGMZLWDOHKCLOR-ZFWWWQNUSA-N 2 1 304.438 2.864 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714546 430649822 /nfs/dbraw/zinc/64/98/22/430649822.db2.gz BYWKFWWZUNOURA-WQANXHIZSA-N 2 1 300.446 2.531 20 0 DFADMP c1cnc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000639474338 430649986 /nfs/dbraw/zinc/64/99/86/430649986.db2.gz RWMKUTCQSOZFKA-KRWDZBQOSA-N 2 1 302.466 2.607 20 0 DFADMP c1cnc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000639474338 430649989 /nfs/dbraw/zinc/64/99/89/430649989.db2.gz RWMKUTCQSOZFKA-KRWDZBQOSA-N 2 1 302.466 2.607 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000554825759 430652032 /nfs/dbraw/zinc/65/20/32/430652032.db2.gz ZLJYGRLVHUVXIK-TVFCKZIOSA-N 2 1 322.493 2.662 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489467 430653022 /nfs/dbraw/zinc/65/30/22/430653022.db2.gz QXDJKXQTZIAMSC-DOTOQJQBSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489467 430653026 /nfs/dbraw/zinc/65/30/26/430653026.db2.gz QXDJKXQTZIAMSC-DOTOQJQBSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489467 430653031 /nfs/dbraw/zinc/65/30/31/430653031.db2.gz QXDJKXQTZIAMSC-DOTOQJQBSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489467 430653033 /nfs/dbraw/zinc/65/30/33/430653033.db2.gz QXDJKXQTZIAMSC-DOTOQJQBSA-N 2 1 303.450 2.874 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000571790245 430653314 /nfs/dbraw/zinc/65/33/14/430653314.db2.gz DQTVFSXOFUGYBB-RDJZCZTQSA-N 2 1 316.489 2.886 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000571790245 430653318 /nfs/dbraw/zinc/65/33/18/430653318.db2.gz DQTVFSXOFUGYBB-RDJZCZTQSA-N 2 1 316.489 2.886 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885605 430654317 /nfs/dbraw/zinc/65/43/17/430654317.db2.gz CKAKBNQEKMTYGV-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885606 430654638 /nfs/dbraw/zinc/65/46/38/430654638.db2.gz CKAKBNQEKMTYGV-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518339 430660524 /nfs/dbraw/zinc/66/05/24/430660524.db2.gz FEGUCVLRAVRLLH-APWZRJJASA-N 2 1 300.446 2.675 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457670 430603807 /nfs/dbraw/zinc/60/38/07/430603807.db2.gz WHZUABUHSHFPOR-MISYRCLQSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457670 430603811 /nfs/dbraw/zinc/60/38/11/430603811.db2.gz WHZUABUHSHFPOR-MISYRCLQSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457670 430603813 /nfs/dbraw/zinc/60/38/13/430603813.db2.gz WHZUABUHSHFPOR-MISYRCLQSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCCN(Cc2ccccc2)C1 ZINC000643457670 430603817 /nfs/dbraw/zinc/60/38/17/430603817.db2.gz WHZUABUHSHFPOR-MISYRCLQSA-N 2 1 315.505 2.876 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@@H]3CC[C@H]4C[C@H]4C3)cc2)C1 ZINC000639307750 430604734 /nfs/dbraw/zinc/60/47/34/430604734.db2.gz GYADUEQSMVUVKS-IYWMVGAKSA-N 2 1 314.473 2.779 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)[C@@H]1CCCC[NH2+]1 ZINC000643463869 430605651 /nfs/dbraw/zinc/60/56/51/430605651.db2.gz FWJRGKOURFQLJK-BZSNNMDCSA-N 2 1 320.477 2.553 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643489594 430608562 /nfs/dbraw/zinc/60/85/62/430608562.db2.gz UEZKGXNONWRERA-PBWTXFEYSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000643489594 430608564 /nfs/dbraw/zinc/60/85/64/430608564.db2.gz UEZKGXNONWRERA-PBWTXFEYSA-N 2 1 301.478 2.627 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000553177851 430610802 /nfs/dbraw/zinc/61/08/02/430610802.db2.gz SODROYCBFTWMAN-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639362255 430620860 /nfs/dbraw/zinc/62/08/60/430620860.db2.gz ADBVQFOQWZUJTD-NWGLXNPWSA-N 2 1 300.446 2.715 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639362255 430620862 /nfs/dbraw/zinc/62/08/62/430620862.db2.gz ADBVQFOQWZUJTD-NWGLXNPWSA-N 2 1 300.446 2.715 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000554376653 430634667 /nfs/dbraw/zinc/63/46/67/430634667.db2.gz DIGGZONSWZTHJB-NZSAHSFTSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000554376653 430634670 /nfs/dbraw/zinc/63/46/70/430634670.db2.gz DIGGZONSWZTHJB-NZSAHSFTSA-N 2 1 304.478 2.894 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCNc2ccccn2)cc1 ZINC000643883250 430638673 /nfs/dbraw/zinc/63/86/73/430638673.db2.gz GSPCHYZLUZEISH-UFRUDQCGSA-N 2 1 322.456 2.604 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCNc2ccccn2)cc1 ZINC000643883250 430638678 /nfs/dbraw/zinc/63/86/78/430638678.db2.gz GSPCHYZLUZEISH-UFRUDQCGSA-N 2 1 322.456 2.604 20 0 DFADMP C[N@H+](Cc1cc[nH]c(=O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639531136 430663964 /nfs/dbraw/zinc/66/39/64/430663964.db2.gz UYKLTPFBSWUSIR-UHFFFAOYSA-N 2 1 311.429 2.884 20 0 DFADMP C[N@@H+](Cc1cc[nH]c(=O)c1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000639531136 430663967 /nfs/dbraw/zinc/66/39/67/430663967.db2.gz UYKLTPFBSWUSIR-UHFFFAOYSA-N 2 1 311.429 2.884 20 0 DFADMP Fc1ccc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)c(F)c1 ZINC000556089397 430678333 /nfs/dbraw/zinc/67/83/33/430678333.db2.gz VRQFCWJKTBSLNF-MRXNPFEDSA-N 2 1 310.388 2.652 20 0 DFADMP Fc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c(F)c1 ZINC000556089397 430678335 /nfs/dbraw/zinc/67/83/35/430678335.db2.gz VRQFCWJKTBSLNF-MRXNPFEDSA-N 2 1 310.388 2.652 20 0 DFADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCCc1cncn1C ZINC000572254755 430678576 /nfs/dbraw/zinc/67/85/76/430678576.db2.gz YHORUXZWEKYKMR-SFHVURJKSA-N 2 1 301.434 2.542 20 0 DFADMP COC[C@H](Cc1ccccc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000572254755 430678578 /nfs/dbraw/zinc/67/85/78/430678578.db2.gz YHORUXZWEKYKMR-SFHVURJKSA-N 2 1 301.434 2.542 20 0 DFADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000572254755 430678581 /nfs/dbraw/zinc/67/85/81/430678581.db2.gz YHORUXZWEKYKMR-SFHVURJKSA-N 2 1 301.434 2.542 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C[N@H+]1C1CC1 ZINC000372967069 278022609 /nfs/dbraw/zinc/02/26/09/278022609.db2.gz SWWJDLFHQYTAHK-VKJFTORMSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C[NH+]1C1CC1 ZINC000372967069 278022611 /nfs/dbraw/zinc/02/26/11/278022611.db2.gz SWWJDLFHQYTAHK-VKJFTORMSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C[NH+]1C1CC1 ZINC000372967069 278022612 /nfs/dbraw/zinc/02/26/12/278022612.db2.gz SWWJDLFHQYTAHK-VKJFTORMSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)c2ccccc21 ZINC000289102561 278025656 /nfs/dbraw/zinc/02/56/56/278025656.db2.gz CFYAMWIOEXRXSI-APWZRJJASA-N 2 1 301.478 2.852 20 0 DFADMP CCc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000556444618 430685712 /nfs/dbraw/zinc/68/57/12/430685712.db2.gz OTPRKKSHMZCQJD-WMLDXEAASA-N 2 1 314.433 2.632 20 0 DFADMP CCc1ncc(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000556444618 430685714 /nfs/dbraw/zinc/68/57/14/430685714.db2.gz OTPRKKSHMZCQJD-WMLDXEAASA-N 2 1 314.433 2.632 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)C1CCCCC1 ZINC000556874961 430695183 /nfs/dbraw/zinc/69/51/83/430695183.db2.gz HRNARYJQZMABII-WJFTUGDTSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H](CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000246985768 278233926 /nfs/dbraw/zinc/23/39/26/278233926.db2.gz JCHQXSFIESPDGQ-SCTDSRPQSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CCN[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000246985768 278233928 /nfs/dbraw/zinc/23/39/28/278233928.db2.gz JCHQXSFIESPDGQ-SCTDSRPQSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CCN[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000246985768 278233930 /nfs/dbraw/zinc/23/39/30/278233930.db2.gz JCHQXSFIESPDGQ-SCTDSRPQSA-N 2 1 303.494 2.969 20 0 DFADMP CC(CC[NH+](C)C1CCOCC1)CC[N@@H+](C)C1CCOCC1 ZINC000556809884 430693610 /nfs/dbraw/zinc/69/36/10/430693610.db2.gz QRUDPDIEQCVMCQ-UHFFFAOYSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000186321380 278274681 /nfs/dbraw/zinc/27/46/81/278274681.db2.gz FSNRUUGKPDLDJO-JCHJZTRSSA-N 2 1 301.478 2.894 20 0 DFADMP c1cc2c(cc1C[N@H+]1CC[C@@H](C3CCOCC3)C1)C[NH2+]CC2 ZINC000572772746 430696991 /nfs/dbraw/zinc/69/69/91/430696991.db2.gz MTRFRRYYOFZBKM-GOSISDBHSA-N 2 1 300.446 2.581 20 0 DFADMP C[C@@H]([NH2+]CCCn1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272652362 278346374 /nfs/dbraw/zinc/34/63/74/278346374.db2.gz KQOVIQXQDHSIMV-IEBWSBKVSA-N 2 1 312.461 2.773 20 0 DFADMP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1C ZINC000657750224 430725163 /nfs/dbraw/zinc/72/51/63/430725163.db2.gz DRXYTRGKZGGMDK-LJQANCHMSA-N 2 1 302.462 2.955 20 0 DFADMP Cc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000657750521 430725896 /nfs/dbraw/zinc/72/58/96/430725896.db2.gz ATFQKYXGWKPSBM-INIZCTEOSA-N 2 1 308.853 2.991 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771226 430732237 /nfs/dbraw/zinc/73/22/37/430732237.db2.gz FVVWRKLOTAFCDD-LJQANCHMSA-N 2 1 324.472 2.812 20 0 DFADMP C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644513250 430739218 /nfs/dbraw/zinc/73/92/18/430739218.db2.gz FNFCRAHDYRMITK-PXNSSMCTSA-N 2 1 312.457 2.873 20 0 DFADMP C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644513250 430739223 /nfs/dbraw/zinc/73/92/23/430739223.db2.gz FNFCRAHDYRMITK-PXNSSMCTSA-N 2 1 312.457 2.873 20 0 DFADMP C[C@H](Cc1cccs1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644519197 430742557 /nfs/dbraw/zinc/74/25/57/430742557.db2.gz GIHAKPGFWYDJLV-WBVHZDCISA-N 2 1 318.486 2.762 20 0 DFADMP C[C@H](Cc1cccs1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644519197 430742564 /nfs/dbraw/zinc/74/25/64/430742564.db2.gz GIHAKPGFWYDJLV-WBVHZDCISA-N 2 1 318.486 2.762 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCCC23CC3)c2cccs2)CC1 ZINC000657815103 430744644 /nfs/dbraw/zinc/74/46/44/430744644.db2.gz DELBUGSJKOTJSH-WBVHZDCISA-N 2 1 319.518 2.959 20 0 DFADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000644529074 430745759 /nfs/dbraw/zinc/74/57/59/430745759.db2.gz UZZINKHAAXXTQF-KRWDZBQOSA-N 2 1 315.461 2.638 20 0 DFADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000644529074 430745765 /nfs/dbraw/zinc/74/57/65/430745765.db2.gz UZZINKHAAXXTQF-KRWDZBQOSA-N 2 1 315.461 2.638 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCCSCC1 ZINC000657822919 430746993 /nfs/dbraw/zinc/74/69/93/430746993.db2.gz DONYZAAPGCMXGO-SFHVURJKSA-N 2 1 320.502 2.894 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSCC2)[C@@H](C)C1 ZINC000657884453 430761686 /nfs/dbraw/zinc/76/16/86/430761686.db2.gz ULFBYIWWZHYUHZ-BBWFWOEESA-N 2 1 314.539 2.999 20 0 DFADMP CCOC1CCC([NH2+]C2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000657898062 430763991 /nfs/dbraw/zinc/76/39/91/430763991.db2.gz LPWRWCJMOWUICZ-UHFFFAOYSA-N 2 1 312.498 2.813 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC000644609676 430770062 /nfs/dbraw/zinc/77/00/62/430770062.db2.gz RYHAGVTUFVQLOJ-INIZCTEOSA-N 2 1 312.404 2.647 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC000644609676 430770064 /nfs/dbraw/zinc/77/00/64/430770064.db2.gz RYHAGVTUFVQLOJ-INIZCTEOSA-N 2 1 312.404 2.647 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cncc(Br)c1 ZINC000657945925 430773498 /nfs/dbraw/zinc/77/34/98/430773498.db2.gz NUMNNZHJVXQHLB-ZWNOBZJWSA-N 2 1 321.222 2.706 20 0 DFADMP CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625272 430773645 /nfs/dbraw/zinc/77/36/45/430773645.db2.gz ISVPXOWAANEVGR-LSDHHAIUSA-N 2 1 318.383 2.800 20 0 DFADMP CC[C@@H](CC(F)(F)F)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625272 430773646 /nfs/dbraw/zinc/77/36/46/430773646.db2.gz ISVPXOWAANEVGR-LSDHHAIUSA-N 2 1 318.383 2.800 20 0 DFADMP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+](CCO)CC1 ZINC000657942769 430774183 /nfs/dbraw/zinc/77/41/83/430774183.db2.gz CYFHLURNWHSCGS-MRXNPFEDSA-N 2 1 316.489 2.543 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000648406032 430775823 /nfs/dbraw/zinc/77/58/23/430775823.db2.gz AFHXDYLFHODQHB-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCF)cc2)C1 ZINC000658134922 430821171 /nfs/dbraw/zinc/82/11/71/430821171.db2.gz CFNAYMITCUVYDN-GUDVDZBRSA-N 2 1 320.452 2.871 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137150 430823844 /nfs/dbraw/zinc/82/38/44/430823844.db2.gz JBPZBOJLFPTPRG-INDMIFKZSA-N 2 1 300.446 2.531 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccco1 ZINC000658147352 430825676 /nfs/dbraw/zinc/82/56/76/430825676.db2.gz ZGGPWKKUNODPLF-RHSMWYFYSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H](COc1c(F)cccc1F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000658177072 430835214 /nfs/dbraw/zinc/83/52/14/430835214.db2.gz ARCLDNKKBFPYEH-GFCCVEGCSA-N 2 1 310.388 2.949 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccn2)[C@@H](C)C1 ZINC000658061665 430795198 /nfs/dbraw/zinc/79/51/98/430795198.db2.gz CAAMSZKZHXAQJL-LNLFQRSKSA-N 2 1 319.493 2.912 20 0 DFADMP CC(C)C[C@@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658178982 430836590 /nfs/dbraw/zinc/83/65/90/430836590.db2.gz BZGCVAFMKFDBLW-QRQLOZEOSA-N 2 1 304.478 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@@H]2CCC[C@@H]21 ZINC000651467927 430802851 /nfs/dbraw/zinc/80/28/51/430802851.db2.gz NFSXALQIQNOEOJ-HGSUQPQSSA-N 2 1 302.409 2.999 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCO1 ZINC000648499220 430807223 /nfs/dbraw/zinc/80/72/23/430807223.db2.gz URPPFWNLCXRKAQ-SJORKVTESA-N 2 1 318.465 2.609 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651681378 430847334 /nfs/dbraw/zinc/84/73/34/430847334.db2.gz MZHYCUSMGRHUIB-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651681378 430847341 /nfs/dbraw/zinc/84/73/41/430847341.db2.gz MZHYCUSMGRHUIB-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658255882 430855136 /nfs/dbraw/zinc/85/51/36/430855136.db2.gz WPOGAFQSEOMIHT-DLBZAZTESA-N 2 1 324.509 2.813 20 0 DFADMP CCC[N@@H+]1CC[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287897 430864579 /nfs/dbraw/zinc/86/45/79/430864579.db2.gz ONESBTZSCDTMIK-WMZOPIPTSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287897 430864585 /nfs/dbraw/zinc/86/45/85/430864585.db2.gz ONESBTZSCDTMIK-WMZOPIPTSA-N 2 1 319.493 2.762 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253832 430871030 /nfs/dbraw/zinc/87/10/30/430871030.db2.gz ANVGTNVSJSKLGW-BSDSXHPESA-N 2 1 306.425 2.818 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCCOC1 ZINC000665254176 430871430 /nfs/dbraw/zinc/87/14/30/430871430.db2.gz JFYWGFUYEMOLGC-PAYONLEZSA-N 2 1 306.425 2.676 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257495 430872333 /nfs/dbraw/zinc/87/23/33/430872333.db2.gz LJRVHJAZJKTORM-BRSBDYLESA-N 2 1 306.425 2.818 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@@H]1CCOC1 ZINC000665255964 430872656 /nfs/dbraw/zinc/87/26/56/430872656.db2.gz JOIPFVMVKFYETK-NXWXRZEISA-N 2 1 318.461 2.545 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCCOC1 ZINC000665257522 430872671 /nfs/dbraw/zinc/87/26/71/430872671.db2.gz LVWIQGNWNYWYOT-AETAKHFUSA-N 2 1 306.425 2.676 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257496 430873345 /nfs/dbraw/zinc/87/33/45/430873345.db2.gz LJRVHJAZJKTORM-BSDSXHPESA-N 2 1 306.425 2.818 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCCOC)cc1 ZINC000665255520 430873683 /nfs/dbraw/zinc/87/36/83/430873683.db2.gz VFDNNVIAFJZXEJ-MNEFBYGVSA-N 2 1 320.477 2.936 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)on2)cc1 ZINC000665261657 430874454 /nfs/dbraw/zinc/87/44/54/430874454.db2.gz IUMXRGDASFFFRD-CQSZACIVSA-N 2 1 301.390 2.582 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@H]3CC[NH2+]CC[C@H]3C)on2)cc1 ZINC000665262075 430875267 /nfs/dbraw/zinc/87/52/67/430875267.db2.gz SQTVMNOCXXVJJL-DYVFJYSZSA-N 2 1 315.417 2.828 20 0 DFADMP COCc1csc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000665263922 430875326 /nfs/dbraw/zinc/87/53/26/430875326.db2.gz YFAIPUJNAGDQGM-UHFFFAOYSA-N 2 1 321.446 2.639 20 0 DFADMP C1C[NH2+][C@@H]([C@H]2CCC[C@H]2N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000665267155 430877365 /nfs/dbraw/zinc/87/73/65/430877365.db2.gz QQNJNKOQOJOMPE-JCHJZTRSSA-N 2 1 305.510 2.904 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000665273908 430878496 /nfs/dbraw/zinc/87/84/96/430878496.db2.gz GNCYBXRQXVMJIZ-UHOSZYNNSA-N 2 1 317.477 2.562 20 0 DFADMP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279701 430881870 /nfs/dbraw/zinc/88/18/70/430881870.db2.gz KFYIXOQJMPRULG-GKWBDSLSSA-N 2 1 304.409 2.635 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000658351956 430882944 /nfs/dbraw/zinc/88/29/44/430882944.db2.gz BQXPIETYQHEYHX-FHWLQOOXSA-N 3 1 305.510 2.571 20 0 DFADMP CN1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000658351956 430882948 /nfs/dbraw/zinc/88/29/48/430882948.db2.gz BQXPIETYQHEYHX-FHWLQOOXSA-N 2 1 305.510 2.571 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000651809610 430884139 /nfs/dbraw/zinc/88/41/39/430884139.db2.gz BUTVSKLKQKVGMN-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000651809610 430884144 /nfs/dbraw/zinc/88/41/44/430884144.db2.gz BUTVSKLKQKVGMN-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP C([NH2+]C1CCN(CC2CC2)CC1)C1CC[NH+](CC2CC2)CC1 ZINC000658355532 430885946 /nfs/dbraw/zinc/88/59/46/430885946.db2.gz JMIOIWLIRDXSRA-UHFFFAOYSA-N 2 1 305.510 2.572 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@H](C)C1 ZINC000658205994 430840737 /nfs/dbraw/zinc/84/07/37/430840737.db2.gz GFJBAORYEQCZDP-XGXHKWSGSA-N 2 1 302.462 2.879 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)[C@H](C)C1 ZINC000658217509 430843619 /nfs/dbraw/zinc/84/36/19/430843619.db2.gz FIGWAXIOERXLAK-OWSLCNJRSA-N 2 1 312.498 2.671 20 0 DFADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000665297284 430889844 /nfs/dbraw/zinc/88/98/44/430889844.db2.gz CJRBBSKYLZKTDX-VHSXEESVSA-N 2 1 303.219 2.717 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)[C@H]1CCC[NH2+]C1 ZINC000665299663 430891281 /nfs/dbraw/zinc/89/12/81/430891281.db2.gz QYOWLXMKPQRXED-XIRDDKMYSA-N 2 1 310.445 2.837 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2ccccc2-n2ccnc21 ZINC000665299441 430891785 /nfs/dbraw/zinc/89/17/85/430891785.db2.gz NCNWDASNVFZMIN-HYVNUMGLSA-N 2 1 310.445 2.837 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000648801212 430898476 /nfs/dbraw/zinc/89/84/76/430898476.db2.gz LHCFBUKWGBFIMB-HOTGVXAUSA-N 2 1 320.481 2.587 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc(C3CC3)o2)cc1 ZINC000648823280 430905131 /nfs/dbraw/zinc/90/51/31/430905131.db2.gz IBMUWXYQGALHFD-UHFFFAOYSA-N 2 1 315.417 2.782 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CO1 ZINC000651930758 430917135 /nfs/dbraw/zinc/91/71/35/430917135.db2.gz CAHJZMKDIGZXDF-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)CO1 ZINC000651930758 430917138 /nfs/dbraw/zinc/91/71/38/430917138.db2.gz CAHJZMKDIGZXDF-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000648881263 430923757 /nfs/dbraw/zinc/92/37/57/430923757.db2.gz SFROYHZVIVYODA-GDBMZVCRSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000648881263 430923764 /nfs/dbraw/zinc/92/37/64/430923764.db2.gz SFROYHZVIVYODA-GDBMZVCRSA-N 2 1 318.465 2.530 20 0 DFADMP OCC1(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000652035820 430941055 /nfs/dbraw/zinc/94/10/55/430941055.db2.gz IWDBISIDUOIMTR-UHFFFAOYSA-N 2 1 302.462 2.793 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000655269618 430945110 /nfs/dbraw/zinc/94/51/10/430945110.db2.gz RZSQWVUPEBOYFK-HNNXBMFYSA-N 2 1 320.481 2.729 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN(C/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000662152415 430979471 /nfs/dbraw/zinc/97/94/71/430979471.db2.gz UNWUHOKJYVNPKB-ZMXQLYDGSA-N 2 1 320.864 2.884 20 0 DFADMP C[C@H](CCc1ccccc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662160070 430982478 /nfs/dbraw/zinc/98/24/78/430982478.db2.gz MFEHNNUDKHPOHM-APWZRJJASA-N 2 1 302.462 2.539 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3cccc4ccccc43)CC2)C1 ZINC000662159332 430982748 /nfs/dbraw/zinc/98/27/48/430982748.db2.gz YCWCTIBCEFEJPH-LJQANCHMSA-N 2 1 310.441 2.871 20 0 DFADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3csc4ccccc34)CC2)C1 ZINC000662155502 430984909 /nfs/dbraw/zinc/98/49/09/430984909.db2.gz JRSZJEUOTAELMA-INIZCTEOSA-N 2 1 316.470 2.932 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3csc4ccccc34)CC2)C1 ZINC000662155502 430984916 /nfs/dbraw/zinc/98/49/16/430984916.db2.gz JRSZJEUOTAELMA-INIZCTEOSA-N 2 1 316.470 2.932 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000652222877 430993332 /nfs/dbraw/zinc/99/33/32/430993332.db2.gz ZRGAFQBIDMOCOA-INIZCTEOSA-N 2 1 315.465 2.896 20 0 DFADMP CC[N@@H+](CCCN[C@@H](C)c1ccc(=O)[nH]n1)C1CCCCC1 ZINC000652238046 430998939 /nfs/dbraw/zinc/99/89/39/430998939.db2.gz QLVVYYVWDWIHLX-AWEZNQCLSA-N 2 1 306.454 2.878 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCCN1Cc1ccccc1 ZINC000645434479 431002021 /nfs/dbraw/zinc/00/20/21/431002021.db2.gz ZEUYAMHWLOUPDE-NZSAHSFTSA-N 2 1 324.472 2.841 20 0 DFADMP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000648998206 430963637 /nfs/dbraw/zinc/96/36/37/430963637.db2.gz GVXMHIILXPPHDB-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000648998206 430963641 /nfs/dbraw/zinc/96/36/41/430963641.db2.gz GVXMHIILXPPHDB-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000648998206 430963645 /nfs/dbraw/zinc/96/36/45/430963645.db2.gz GVXMHIILXPPHDB-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCc3nsc4ccccc43)C[C@H]21 ZINC000662266201 431024393 /nfs/dbraw/zinc/02/43/93/431024393.db2.gz KMNREYPYPVGZMG-NWANDNLSSA-N 2 1 301.459 2.898 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)[C@H](CC)CO1 ZINC000652344470 431024859 /nfs/dbraw/zinc/02/48/59/431024859.db2.gz JITJGSQDPFLCTM-BRWVUGGUSA-N 2 1 306.450 2.627 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)[C@H](CC)CO1 ZINC000652344470 431024862 /nfs/dbraw/zinc/02/48/62/431024862.db2.gz JITJGSQDPFLCTM-BRWVUGGUSA-N 2 1 306.450 2.627 20 0 DFADMP Cc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652345482 431025497 /nfs/dbraw/zinc/02/54/97/431025497.db2.gz CLIYEDXFFOQLRO-LNLFQRSKSA-N 2 1 318.461 2.592 20 0 DFADMP Cc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348938 431027334 /nfs/dbraw/zinc/02/73/34/431027334.db2.gz WKZDRGBEZMUSOW-FHWLQOOXSA-N 2 1 302.462 2.756 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662273008 431027620 /nfs/dbraw/zinc/02/76/20/431027620.db2.gz JIXQEHZJPAIESW-FUHWJXTLSA-N 3 1 313.489 2.544 20 0 DFADMP CO[C@@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CCCC1 ZINC000662270992 431028569 /nfs/dbraw/zinc/02/85/69/431028569.db2.gz DBPHGFUWTMLOET-QYZOEREBSA-N 2 1 302.462 2.866 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354830 431029679 /nfs/dbraw/zinc/02/96/79/431029679.db2.gz JMRIXBMAMBBRLN-MAUKXSAKSA-N 2 1 306.450 2.661 20 0 DFADMP C[C@@H]1CC[N@H+](CCSc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000662284777 431032826 /nfs/dbraw/zinc/03/28/26/431032826.db2.gz ZRXYJTHMDTXEIH-NEPJUHHUSA-N 2 1 300.418 2.974 20 0 DFADMP C[C@@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000662284777 431032828 /nfs/dbraw/zinc/03/28/28/431032828.db2.gz ZRXYJTHMDTXEIH-NEPJUHHUSA-N 2 1 300.418 2.974 20 0 DFADMP COCC[C@H]1CCCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662281984 431033509 /nfs/dbraw/zinc/03/35/09/431033509.db2.gz NCOSQLDPDREZAB-MRXNPFEDSA-N 2 1 302.462 2.971 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662291825 431035072 /nfs/dbraw/zinc/03/50/72/431035072.db2.gz ACHRGYHKMWKWLT-INIZCTEOSA-N 2 1 318.465 2.939 20 0 DFADMP Fc1ccc(OCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662292915 431035155 /nfs/dbraw/zinc/03/51/55/431035155.db2.gz BWKAGBBXICGZKY-INIZCTEOSA-N 2 1 306.425 2.916 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000662294105 431035815 /nfs/dbraw/zinc/03/58/15/431035815.db2.gz OZHLBJVWBKDUQE-KRWDZBQOSA-N 2 1 315.461 2.727 20 0 DFADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286962 431036060 /nfs/dbraw/zinc/03/60/60/431036060.db2.gz VFQGQVMPMJZWAH-SJORKVTESA-N 2 1 318.436 2.744 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286598 431036198 /nfs/dbraw/zinc/03/61/98/431036198.db2.gz RLKIWLGKIOAYKN-CJNGLKHVSA-N 2 1 320.864 2.823 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662296849 431037653 /nfs/dbraw/zinc/03/76/53/431037653.db2.gz NXPCUYPDSKYMPP-SJLPKXTDSA-N 2 1 323.525 2.732 20 0 DFADMP CN(CCc1ccccc1)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662307563 431042615 /nfs/dbraw/zinc/04/26/15/431042615.db2.gz XKUXCELMKDIIIV-UXHICEINSA-N 2 1 315.505 2.625 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2nc(-c3ccoc3)no2)[C@@H]1CCC[NH3+] ZINC000662314881 431043663 /nfs/dbraw/zinc/04/36/63/431043663.db2.gz RSPCBOXUVKOLLW-TZMCWYRMSA-N 2 1 304.394 2.669 20 0 DFADMP C[C@@H]1CCC[C@H](NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])[C@@H]1C ZINC000662313704 431044660 /nfs/dbraw/zinc/04/46/60/431044660.db2.gz XLRGHKPQPWXCKV-HSFUPAIVSA-N 2 1 323.525 2.767 20 0 DFADMP COc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1C ZINC000662324515 431046872 /nfs/dbraw/zinc/04/68/72/431046872.db2.gz XGQOLSFHASEXLT-QGZVFWFLSA-N 2 1 306.450 2.546 20 0 DFADMP COc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)ccc1C ZINC000662324515 431046878 /nfs/dbraw/zinc/04/68/78/431046878.db2.gz XGQOLSFHASEXLT-QGZVFWFLSA-N 2 1 306.450 2.546 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662324737 431047005 /nfs/dbraw/zinc/04/70/05/431047005.db2.gz BXLXCCRFHUVZIF-LJQANCHMSA-N 2 1 304.478 2.970 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCOc2ccccc2)CCO1 ZINC000662318963 431047489 /nfs/dbraw/zinc/04/74/89/431047489.db2.gz CHRDWDYLQCFSHN-LJQANCHMSA-N 2 1 320.477 2.888 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)CC1 ZINC000645688758 431050751 /nfs/dbraw/zinc/05/07/51/431050751.db2.gz VTLDGDOHNCRYBT-HNNXBMFYSA-N 2 1 317.477 2.899 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCc3cscn3)C2)c1 ZINC000649301472 431059892 /nfs/dbraw/zinc/05/98/92/431059892.db2.gz CIDIYKGWAFGKQC-AWEZNQCLSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCc3cscn3)C2)c1 ZINC000649301472 431059894 /nfs/dbraw/zinc/05/98/94/431059894.db2.gz CIDIYKGWAFGKQC-AWEZNQCLSA-N 2 1 302.447 2.823 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000649311542 431062876 /nfs/dbraw/zinc/06/28/76/431062876.db2.gz YIXZUVHFLQXOIZ-VEZWFGLTSA-N 2 1 321.509 2.617 20 0 DFADMP C[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249217 431013692 /nfs/dbraw/zinc/01/36/92/431013692.db2.gz JRQMBZPEBHYILF-LBPRGKRZSA-N 2 1 315.244 2.946 20 0 DFADMP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254792 431014915 /nfs/dbraw/zinc/01/49/15/431014915.db2.gz MBKOSIXPNLELHV-ZWKOTPCHSA-N 2 1 300.446 2.561 20 0 DFADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252172 431015096 /nfs/dbraw/zinc/01/50/96/431015096.db2.gz LOGJARHYMCFYOU-AWEZNQCLSA-N 2 1 315.244 2.946 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254053 431015511 /nfs/dbraw/zinc/01/55/11/431015511.db2.gz DPOPYCDNDXFQBY-XJKSGUPXSA-N 2 1 308.853 2.724 20 0 DFADMP Oc1ccc2c(c1)CC[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662255655 431016340 /nfs/dbraw/zinc/01/63/40/431016340.db2.gz ZUIQFKMHUGWCKK-UHFFFAOYSA-N 2 1 308.425 2.639 20 0 DFADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cccc(OC)c1 ZINC000662252133 431017353 /nfs/dbraw/zinc/01/73/53/431017353.db2.gz KJEXOBLPSDWTMM-PBHICJAKSA-N 2 1 304.434 2.599 20 0 DFADMP CCO[C@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000662258340 431017673 /nfs/dbraw/zinc/01/76/73/431017673.db2.gz ZPKUFACNUJDSOD-ROUUACIJSA-N 2 1 302.462 2.968 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@H]1c1ccccc1 ZINC000662257539 431018519 /nfs/dbraw/zinc/01/85/19/431018519.db2.gz POTRFTZIJIJPKU-KBAYOESNSA-N 2 1 300.446 2.633 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000662258338 431018905 /nfs/dbraw/zinc/01/89/05/431018905.db2.gz ZPKUFACNUJDSOD-QZTJIDSGSA-N 2 1 302.462 2.968 20 0 DFADMP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257084 431019182 /nfs/dbraw/zinc/01/91/82/431019182.db2.gz MRBNDYYPSLQNNR-SJORKVTESA-N 2 1 304.409 2.874 20 0 DFADMP c1ccc2c(c1)CC(CC[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000655736724 431108798 /nfs/dbraw/zinc/10/87/98/431108798.db2.gz HDPMNYXVJGTWNT-FQEVSTJZSA-N 2 1 314.473 2.634 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccn(C)n1 ZINC000666086460 431110657 /nfs/dbraw/zinc/11/06/57/431110657.db2.gz SJXIXDWYOLCPAW-SJLPKXTDSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CS1 ZINC000655750983 431112218 /nfs/dbraw/zinc/11/22/18/431112218.db2.gz ILEPVSCJTNOKLH-JLSDUUJJSA-N 2 1 320.502 2.627 20 0 DFADMP Cc1ccccc1C[NH+]1CCCN(C[C@@H]2CCC[N@@H+]2C)CC1 ZINC000649479780 431113811 /nfs/dbraw/zinc/11/38/11/431113811.db2.gz KPZRMTNECRZMKL-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(C[C@@H]2CCC[NH+]2C)CC1 ZINC000649479780 431113820 /nfs/dbraw/zinc/11/38/20/431113820.db2.gz KPZRMTNECRZMKL-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCN(C[C@@H]2CCC[NH+]2C)CC1 ZINC000649479780 431113824 /nfs/dbraw/zinc/11/38/24/431113824.db2.gz KPZRMTNECRZMKL-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1cnc([C@@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)s1 ZINC000655754478 431115369 /nfs/dbraw/zinc/11/53/69/431115369.db2.gz WSUNQGPWKKFVCU-XJKSGUPXSA-N 2 1 323.506 2.788 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000649341724 431072582 /nfs/dbraw/zinc/07/25/82/431072582.db2.gz SRDIMVANPHASCA-YESZJQIVSA-N 2 1 309.498 2.617 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000649501477 431125280 /nfs/dbraw/zinc/12/52/80/431125280.db2.gz LALRQNRXWHSRSL-QZTJIDSGSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000649501477 431125288 /nfs/dbraw/zinc/12/52/88/431125288.db2.gz LALRQNRXWHSRSL-QZTJIDSGSA-N 2 1 313.445 2.635 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000652523412 431078924 /nfs/dbraw/zinc/07/89/24/431078924.db2.gz PDMAYESGNGXSOF-UHFFFAOYSA-N 2 1 311.514 2.593 20 0 DFADMP c1[nH]c2ccccc2c1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655683612 431081325 /nfs/dbraw/zinc/08/13/25/431081325.db2.gz IULLKOTWTNEKIV-QGZVFWFLSA-N 2 1 313.445 2.553 20 0 DFADMP c1ccc(OCCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655685705 431082933 /nfs/dbraw/zinc/08/29/33/431082933.db2.gz LOIHAHUQVSWHGH-SFHVURJKSA-N 2 1 318.461 2.689 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000649382211 431083239 /nfs/dbraw/zinc/08/32/39/431083239.db2.gz WMWZOVHWOVQTIA-HOTGVXAUSA-N 2 1 315.452 2.524 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C1 ZINC000649382212 431083603 /nfs/dbraw/zinc/08/36/03/431083603.db2.gz WMWZOVHWOVQTIA-HZPDHXFCSA-N 2 1 315.452 2.524 20 0 DFADMP COCc1ccccc1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655690972 431084958 /nfs/dbraw/zinc/08/49/58/431084958.db2.gz AMSJWWPZVQLEJD-LJQANCHMSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H](CNC(=O)c1cccc2c1C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000662453636 431086147 /nfs/dbraw/zinc/08/61/47/431086147.db2.gz ARIFYOIAVDITRZ-HNNXBMFYSA-N 2 1 323.440 2.540 20 0 DFADMP c1c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)sc2c1CCCC2 ZINC000655701812 431089908 /nfs/dbraw/zinc/08/99/08/431089908.db2.gz JAKVCQJFQLQTFZ-INIZCTEOSA-N 2 1 320.502 2.970 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3cc(C)cc(C)c32)CC1 ZINC000655701121 431091007 /nfs/dbraw/zinc/09/10/07/431091007.db2.gz UCBQAGHUQMTLBJ-SFHVURJKSA-N 2 1 302.462 2.991 20 0 DFADMP Cc1nc(C)c(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000655712840 431092767 /nfs/dbraw/zinc/09/27/67/431092767.db2.gz WPPHFBSMXXXYLV-INIZCTEOSA-N 2 1 323.506 2.535 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655711115 431092824 /nfs/dbraw/zinc/09/28/24/431092824.db2.gz GWJAZBPNKQJYAR-SJLPKXTDSA-N 2 1 300.446 2.559 20 0 DFADMP c1ccc2c(c1)CC[C@H]2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655711116 431093165 /nfs/dbraw/zinc/09/31/65/431093165.db2.gz GWJAZBPNKQJYAR-WMZOPIPTSA-N 2 1 300.446 2.559 20 0 DFADMP CC[N@H+]1CC[C@H](CNCc2cn(-c3ccccc3F)nc2C)C1 ZINC000655712965 431093683 /nfs/dbraw/zinc/09/36/83/431093683.db2.gz WPJIPAYFVVVUGR-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655712965 431093687 /nfs/dbraw/zinc/09/36/87/431093687.db2.gz WPJIPAYFVVVUGR-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655712965 431093692 /nfs/dbraw/zinc/09/36/92/431093692.db2.gz WPJIPAYFVVVUGR-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP Fc1cccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655711841 431094716 /nfs/dbraw/zinc/09/47/16/431094716.db2.gz NWMLZNPKSVSQFG-IBGZPJMESA-N 2 1 320.452 2.991 20 0 DFADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000649413970 431095934 /nfs/dbraw/zinc/09/59/34/431095934.db2.gz ZVJGCIAQIKQHAT-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1cccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418048 431096499 /nfs/dbraw/zinc/09/64/99/431096499.db2.gz XOULZRHSYLVDMQ-SJORKVTESA-N 2 1 312.461 2.854 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662502195 431098862 /nfs/dbraw/zinc/09/88/62/431098862.db2.gz JQHISQILVNJGRO-JQHSSLGASA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000655727701 431104277 /nfs/dbraw/zinc/10/42/77/431104277.db2.gz UBNSMDPQQHOQGE-GOSISDBHSA-N 2 1 320.452 2.946 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)Oc1ccccc1 ZINC000655731121 431106311 /nfs/dbraw/zinc/10/63/11/431106311.db2.gz VEZQVGXNNFOBEW-LPHOPBHVSA-N 2 1 318.461 2.687 20 0 DFADMP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655772082 431128847 /nfs/dbraw/zinc/12/88/47/431128847.db2.gz SSPOAVIAFHUCJB-DZGCQCFKSA-N 2 1 302.409 2.655 20 0 DFADMP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772547 431129569 /nfs/dbraw/zinc/12/95/69/431129569.db2.gz ODKGHFGSCSNMPR-ZFWWWQNUSA-N 2 1 302.409 2.655 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)c1ccccc1 ZINC000292039611 279043074 /nfs/dbraw/zinc/04/30/74/279043074.db2.gz YGQBJNDKXCDXJA-NVXWUHKLSA-N 2 1 305.466 2.524 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000292039611 279043076 /nfs/dbraw/zinc/04/30/76/279043076.db2.gz YGQBJNDKXCDXJA-NVXWUHKLSA-N 2 1 305.466 2.524 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000292039611 279043078 /nfs/dbraw/zinc/04/30/78/279043078.db2.gz YGQBJNDKXCDXJA-NVXWUHKLSA-N 2 1 305.466 2.524 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC1 ZINC000152152533 279050101 /nfs/dbraw/zinc/05/01/01/279050101.db2.gz HZUGLKWCDJDHPJ-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000357131165 279093852 /nfs/dbraw/zinc/09/38/52/279093852.db2.gz YGPHKPDDSSJTLE-SFHVURJKSA-N 2 1 319.493 2.870 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC2(C[C@H]2c2nnc(C)o2)CC1 ZINC000365188910 279094005 /nfs/dbraw/zinc/09/40/05/279094005.db2.gz HUKKQAPPFJZDNA-HNNXBMFYSA-N 2 1 306.454 2.679 20 0 DFADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000362624088 279131294 /nfs/dbraw/zinc/13/12/94/279131294.db2.gz QXUIGHBQFVFYSC-SJLPKXTDSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@H+]1CCC[C@H]1CN1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000649509801 431133252 /nfs/dbraw/zinc/13/32/52/431133252.db2.gz HWMFIVMNWRYBOU-SFHVURJKSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+]1CCC[C@H]1CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000649509801 431133256 /nfs/dbraw/zinc/13/32/56/431133256.db2.gz HWMFIVMNWRYBOU-SFHVURJKSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+]1CCC[C@H]1CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000649509801 431133262 /nfs/dbraw/zinc/13/32/62/431133262.db2.gz HWMFIVMNWRYBOU-SFHVURJKSA-N 2 1 301.478 2.677 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000163564372 279137455 /nfs/dbraw/zinc/13/74/55/279137455.db2.gz UFQPCZVQBIQAPQ-QFBILLFUSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000163564372 279137457 /nfs/dbraw/zinc/13/74/57/279137457.db2.gz UFQPCZVQBIQAPQ-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000246351576 279154135 /nfs/dbraw/zinc/15/41/35/279154135.db2.gz DCCRYVVQHDAINL-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP c1ccc([C@H]2C[C@@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655779173 431137269 /nfs/dbraw/zinc/13/72/69/431137269.db2.gz DXIGCPLCPOSHMX-NZSAHSFTSA-N 2 1 300.446 2.633 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000666172102 431135858 /nfs/dbraw/zinc/13/58/58/431135858.db2.gz ANYCFRLNYLOVBI-QWHCGFSZSA-N 2 1 303.406 2.916 20 0 DFADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000655780455 431136687 /nfs/dbraw/zinc/13/66/87/431136687.db2.gz ZLXFMODRRNRBLP-BJZITVGISA-N 2 1 310.445 2.781 20 0 DFADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000655780455 431136690 /nfs/dbraw/zinc/13/66/90/431136690.db2.gz ZLXFMODRRNRBLP-BJZITVGISA-N 2 1 310.445 2.781 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659867205 431162651 /nfs/dbraw/zinc/16/26/51/431162651.db2.gz VJZMUILVMRFFNR-IVDHNXQLSA-N 2 1 319.537 2.913 20 0 DFADMP COCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000655817231 431164216 /nfs/dbraw/zinc/16/42/16/431164216.db2.gz JCQIJLBSSCCCOW-SJLPKXTDSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649582045 431174654 /nfs/dbraw/zinc/17/46/54/431174654.db2.gz WAFZDSPYZZPIBG-MOPGFXCFSA-N 2 1 301.478 2.897 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649582045 431174658 /nfs/dbraw/zinc/17/46/58/431174658.db2.gz WAFZDSPYZZPIBG-MOPGFXCFSA-N 2 1 301.478 2.897 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@H]1C ZINC000662743831 431184648 /nfs/dbraw/zinc/18/46/48/431184648.db2.gz VMBYEZPQHHFKEV-HFTRVMKXSA-N 2 1 315.461 2.552 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CCC1 ZINC000659907062 431184633 /nfs/dbraw/zinc/18/46/33/431184633.db2.gz VYPFTOQXPVNMRG-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CCC1 ZINC000659907062 431184638 /nfs/dbraw/zinc/18/46/38/431184638.db2.gz VYPFTOQXPVNMRG-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH+]1C ZINC000649539145 431150514 /nfs/dbraw/zinc/15/05/14/431150514.db2.gz LCOQLXHGVWIZBF-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C[C@H]1CCC[N@@H+]1C ZINC000649539145 431150522 /nfs/dbraw/zinc/15/05/22/431150522.db2.gz LCOQLXHGVWIZBF-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C[C@H]1CCC[N@H+]1C ZINC000649539145 431150527 /nfs/dbraw/zinc/15/05/27/431150527.db2.gz LCOQLXHGVWIZBF-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3CCCCC3(C)C)CC2)C1 ZINC000660074805 431257236 /nfs/dbraw/zinc/25/72/36/431257236.db2.gz QMAFGRSGJCZGEQ-ROUUACIJSA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2C2CCC2)CC1 ZINC000646138796 431204382 /nfs/dbraw/zinc/20/43/82/431204382.db2.gz WHOSZSKPFLFACT-GOSISDBHSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000662845760 431213130 /nfs/dbraw/zinc/21/31/30/431213130.db2.gz KOYPONXPBDCFAU-IUODEOHRSA-N 2 1 323.868 2.576 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000662839010 431214531 /nfs/dbraw/zinc/21/45/31/431214531.db2.gz OJLLCCNOXGWLJZ-KZNAEPCWSA-N 2 1 315.461 2.600 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000646175256 431215917 /nfs/dbraw/zinc/21/59/17/431215917.db2.gz PIXSKSATZZIDDI-SUMWQHHRSA-N 2 1 314.433 2.731 20 0 DFADMP CN(CC[NH+]1CCCCC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000652990916 431218498 /nfs/dbraw/zinc/21/84/98/431218498.db2.gz IQDDXOGLJZBSMX-UHFFFAOYSA-N 2 1 309.498 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[N@@H+]1C ZINC000659984176 431219525 /nfs/dbraw/zinc/21/95/25/431219525.db2.gz DTEAVKJLSXPNJZ-IKGGRYGDSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[N@H+]1C ZINC000659984176 431219533 /nfs/dbraw/zinc/21/95/33/431219533.db2.gz DTEAVKJLSXPNJZ-IKGGRYGDSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[NH+]1C ZINC000659984176 431219539 /nfs/dbraw/zinc/21/95/39/431219539.db2.gz DTEAVKJLSXPNJZ-IKGGRYGDSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC[NH+]1C ZINC000659984176 431219546 /nfs/dbraw/zinc/21/95/46/431219546.db2.gz DTEAVKJLSXPNJZ-IKGGRYGDSA-N 2 1 323.525 2.686 20 0 DFADMP COC(C)(C)C[NH+](C)CC1(C[N@H+](C)CC(C)(C)OC)CCC1 ZINC000660001902 431231384 /nfs/dbraw/zinc/23/13/84/431231384.db2.gz YQCBFYBOQXOOAE-UHFFFAOYSA-N 2 1 314.514 2.870 20 0 DFADMP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663002307 431253836 /nfs/dbraw/zinc/25/38/36/431253836.db2.gz CYFQHXMGGAGLEA-ZWKOTPCHSA-N 2 1 321.509 2.522 20 0 DFADMP [NH3+]CC1(CC(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663005667 431255032 /nfs/dbraw/zinc/25/50/32/431255032.db2.gz XIAHGUWPVOOOMA-QGZVFWFLSA-N 2 1 321.509 2.524 20 0 DFADMP CC(C)[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000646299621 431256578 /nfs/dbraw/zinc/25/65/78/431256578.db2.gz BUOWESYVDTUHGS-LJQANCHMSA-N 2 1 320.477 2.874 20 0 DFADMP O[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000646297919 431256769 /nfs/dbraw/zinc/25/67/69/431256769.db2.gz KENYQDCAEAGCHN-SFHVURJKSA-N 2 1 318.461 2.508 20 0 DFADMP CC[C@H](CC(F)F)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000660139214 431286163 /nfs/dbraw/zinc/28/61/63/431286163.db2.gz OIKOZYXKNOIQBF-CQSZACIVSA-N 2 1 305.457 2.626 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)Oc2ccccc21 ZINC000666616082 431298700 /nfs/dbraw/zinc/29/87/00/431298700.db2.gz JZPYAKJXYPENNJ-IKGGRYGDSA-N 2 1 317.477 2.594 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)C1CCCCC1 ZINC000653200690 431305619 /nfs/dbraw/zinc/30/56/19/431305619.db2.gz MILSNNNXMZXYAO-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1)C1CCCCC1 ZINC000653200973 431306578 /nfs/dbraw/zinc/30/65/78/431306578.db2.gz VVSRCQKZZUEXHA-WBVHZDCISA-N 2 1 309.498 2.535 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(Cc3ccccc3)CC[C@@H]2C)CC[NH2+]1 ZINC000666636651 431310054 /nfs/dbraw/zinc/31/00/54/431310054.db2.gz CQTWWNVNJBTHPZ-HBFSDRIKSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000660201438 431315044 /nfs/dbraw/zinc/31/50/44/431315044.db2.gz HLRDIVQLUWEQQK-APWZRJJASA-N 2 1 319.493 2.639 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000660201438 431315049 /nfs/dbraw/zinc/31/50/49/431315049.db2.gz HLRDIVQLUWEQQK-APWZRJJASA-N 2 1 319.493 2.639 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1CC[NH3+] ZINC000653110916 431270211 /nfs/dbraw/zinc/27/02/11/431270211.db2.gz YQBWXBMZUGNSMX-INIZCTEOSA-N 2 1 317.477 2.572 20 0 DFADMP COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)sn1 ZINC000660114294 431273901 /nfs/dbraw/zinc/27/39/01/431273901.db2.gz GMJZULKXTOWTOF-SWLSCSKDSA-N 2 1 307.463 2.600 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000248547851 288153383 /nfs/dbraw/zinc/15/33/83/288153383.db2.gz GKHGVYZBVCBQIK-SOLBZPMBSA-N 2 1 324.509 2.765 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C(F)F)n1 ZINC000663344129 431372127 /nfs/dbraw/zinc/37/21/27/431372127.db2.gz OQIDCQOUZLDAPW-CYBMUJFWSA-N 2 1 312.408 2.569 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C(F)F)n1 ZINC000663344129 431372133 /nfs/dbraw/zinc/37/21/33/431372133.db2.gz OQIDCQOUZLDAPW-CYBMUJFWSA-N 2 1 312.408 2.569 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCC[NH+](C(C)C)C(C)C ZINC000663420343 431414351 /nfs/dbraw/zinc/41/43/51/431414351.db2.gz MVXARRFHLBWVIN-UHFFFAOYSA-N 2 1 314.518 2.525 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000653519254 431417818 /nfs/dbraw/zinc/41/78/18/431417818.db2.gz XGGQJZRHVCPMLY-INIZCTEOSA-N 2 1 323.868 2.545 20 0 DFADMP COc1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000656537637 431420527 /nfs/dbraw/zinc/42/05/27/431420527.db2.gz UBNJISLYSJJWGD-QGZVFWFLSA-N 2 1 300.446 2.769 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343869 431373223 /nfs/dbraw/zinc/37/32/23/431373223.db2.gz IFXSLSVQIONXPD-OAHLLOKOSA-N 2 1 302.466 2.509 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343869 431373232 /nfs/dbraw/zinc/37/32/32/431373232.db2.gz IFXSLSVQIONXPD-OAHLLOKOSA-N 2 1 302.466 2.509 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663347532 431375127 /nfs/dbraw/zinc/37/51/27/431375127.db2.gz NRBWGOMEKJTNOG-QGZVFWFLSA-N 2 1 318.461 2.915 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc2ncsc2c1 ZINC000660322454 431379889 /nfs/dbraw/zinc/37/98/89/431379889.db2.gz LGQCUFPPDPFQQN-GXTWGEPZSA-N 2 1 307.463 2.648 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857924 431386492 /nfs/dbraw/zinc/38/64/92/431386492.db2.gz QECNQBPKLVTYIA-GOSISDBHSA-N 2 1 311.429 2.989 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N3CCC(CC[NH3+])CC3)n2)C1 ZINC000653471974 431390519 /nfs/dbraw/zinc/39/05/19/431390519.db2.gz CEAWCELQKGCAIT-UHFFFAOYSA-N 2 1 317.481 2.668 20 0 DFADMP CC[C@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663369226 431390588 /nfs/dbraw/zinc/39/05/88/431390588.db2.gz ZESZMGJRWMQRDA-ROUUACIJSA-N 2 1 302.462 2.649 20 0 DFADMP CC(C)(C)[C@@H]([NH3+])c1cn([C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455340 431391735 /nfs/dbraw/zinc/39/17/35/431391735.db2.gz DKFKHKZQFAHVOR-WBVHZDCISA-N 2 1 313.449 2.771 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@@H]3CCC[C@@H]3C[NH3+])n2)C1 ZINC000653472229 431392234 /nfs/dbraw/zinc/39/22/34/431392234.db2.gz JGXUKSNWIJVYMM-ZIAGYGMSSA-N 2 1 303.454 2.642 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000656497851 431409194 /nfs/dbraw/zinc/40/91/94/431409194.db2.gz JDWOAKZALFMQTM-HNNXBMFYSA-N 2 1 321.415 2.760 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cn1 ZINC000666993732 431438686 /nfs/dbraw/zinc/43/86/86/431438686.db2.gz GPFQEOBIPRKIML-INIZCTEOSA-N 2 1 302.466 2.691 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(F)(F)F ZINC000663478220 431439111 /nfs/dbraw/zinc/43/91/11/431439111.db2.gz PAGJWMRZTXKEGU-ZDUSSCGKSA-N 2 1 308.388 2.808 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C3(CCC3)C1)O[C@H](C)C2 ZINC000666998286 431440567 /nfs/dbraw/zinc/44/05/67/431440567.db2.gz LZKDFWFPWVFUTR-CJNGLKHVSA-N 2 1 316.445 2.783 20 0 DFADMP Clc1cc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCCO2 ZINC000666999452 431440842 /nfs/dbraw/zinc/44/08/42/431440842.db2.gz JQCPQVZHXHMDLE-ZDUSSCGKSA-N 2 1 322.836 2.876 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499490 431446494 /nfs/dbraw/zinc/44/64/94/431446494.db2.gz WSRUHNPIQKLEOA-XVTSOASTSA-N 2 1 315.461 2.869 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000653606528 431456141 /nfs/dbraw/zinc/45/61/41/431456141.db2.gz OXJLPQALBCLWNZ-QZTJIDSGSA-N 2 1 308.441 2.959 20 0 DFADMP CCN(C)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000653606528 431456147 /nfs/dbraw/zinc/45/61/47/431456147.db2.gz OXJLPQALBCLWNZ-QZTJIDSGSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000653606528 431456151 /nfs/dbraw/zinc/45/61/51/431456151.db2.gz OXJLPQALBCLWNZ-QZTJIDSGSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000653606528 431456158 /nfs/dbraw/zinc/45/61/58/431456158.db2.gz OXJLPQALBCLWNZ-QZTJIDSGSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000653622856 431466786 /nfs/dbraw/zinc/46/67/86/431466786.db2.gz XULCZTOONLZJPY-BHIYHBOVSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000653622856 431466795 /nfs/dbraw/zinc/46/67/95/431466795.db2.gz XULCZTOONLZJPY-BHIYHBOVSA-N 2 1 320.477 2.587 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CN(Cc2cnc3ccccn23)C1 ZINC000656670296 431469177 /nfs/dbraw/zinc/46/91/77/431469177.db2.gz OXUCDICHXJMNJQ-UHFFFAOYSA-N 2 1 306.413 2.651 20 0 DFADMP C[N@@H+](CCc1noc2ccccc21)C[C@@H]1CCn2ccnc2C1 ZINC000653646742 431472814 /nfs/dbraw/zinc/47/28/14/431472814.db2.gz AOWCHLCQMITQEV-CQSZACIVSA-N 2 1 310.401 2.761 20 0 DFADMP C[N@H+](CCc1noc2ccccc12)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000653646742 431472818 /nfs/dbraw/zinc/47/28/18/431472818.db2.gz AOWCHLCQMITQEV-CQSZACIVSA-N 2 1 310.401 2.761 20 0 DFADMP C[N@@H+](CCc1noc2ccccc12)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000653646742 431472824 /nfs/dbraw/zinc/47/28/24/431472824.db2.gz AOWCHLCQMITQEV-CQSZACIVSA-N 2 1 310.401 2.761 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C(C)C)[C@H](O)C(F)(F)F ZINC000660526162 431473265 /nfs/dbraw/zinc/47/32/65/431473265.db2.gz SRKVESAJMPBOGL-STQMWFEESA-N 2 1 307.360 2.509 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc([C@@H]2CCC[NH2+]2)no1 ZINC000647144816 431476477 /nfs/dbraw/zinc/47/64/77/431476477.db2.gz GQZSBIJDGQIMCL-BMFZPTHFSA-N 2 1 312.417 2.730 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660432832 431429117 /nfs/dbraw/zinc/42/91/17/431429117.db2.gz XXEGFTOAGOSECE-QXAKKESOSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660432832 431429123 /nfs/dbraw/zinc/42/91/23/431429123.db2.gz XXEGFTOAGOSECE-QXAKKESOSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660432832 431429128 /nfs/dbraw/zinc/42/91/28/431429128.db2.gz XXEGFTOAGOSECE-QXAKKESOSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)n1 ZINC000653551253 431430741 /nfs/dbraw/zinc/43/07/41/431430741.db2.gz HDWHCLVMGUIQJC-GOSISDBHSA-N 2 1 315.465 2.721 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)n1 ZINC000653551253 431430745 /nfs/dbraw/zinc/43/07/45/431430745.db2.gz HDWHCLVMGUIQJC-GOSISDBHSA-N 2 1 315.465 2.721 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467211 431431085 /nfs/dbraw/zinc/43/10/85/431431085.db2.gz DSCPWQXKTWZUNF-NVXWUHKLSA-N 2 1 302.466 2.509 20 0 DFADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466566 431432147 /nfs/dbraw/zinc/43/21/47/431432147.db2.gz VOGKQFWNUUDEIT-ROUUACIJSA-N 2 1 304.482 2.619 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC(C)(C)C2CC2)CC1 ZINC000653554400 431432790 /nfs/dbraw/zinc/43/27/90/431432790.db2.gz BGHKCSNWALXCEV-SFHVURJKSA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466564 431433051 /nfs/dbraw/zinc/43/30/51/431433051.db2.gz VOGKQFWNUUDEIT-MSOLQXFVSA-N 2 1 304.482 2.619 20 0 DFADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000663468555 431434422 /nfs/dbraw/zinc/43/44/22/431434422.db2.gz MBYYMOXIYHDUCV-VDHUWJSZSA-N 2 1 306.494 2.902 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782407 431519966 /nfs/dbraw/zinc/51/99/66/431519966.db2.gz GAVFFRCMSQKRAC-QGZVFWFLSA-N 2 1 304.482 2.984 20 0 DFADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nn1C ZINC000656782978 431520606 /nfs/dbraw/zinc/52/06/06/431520606.db2.gz KOAXPUVPLPVILM-CQSZACIVSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1c(Cl)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nn1C ZINC000656782978 431520611 /nfs/dbraw/zinc/52/06/11/431520611.db2.gz KOAXPUVPLPVILM-CQSZACIVSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1cccc2ncc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n21 ZINC000656785934 431522784 /nfs/dbraw/zinc/52/27/84/431522784.db2.gz NNDZLQZECPSWJD-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000653779006 431523774 /nfs/dbraw/zinc/52/37/74/431523774.db2.gz VUIYUQXGVMBUBQ-BBRMVZONSA-N 2 1 310.869 2.614 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000653779006 431523779 /nfs/dbraw/zinc/52/37/79/431523779.db2.gz VUIYUQXGVMBUBQ-BBRMVZONSA-N 2 1 310.869 2.614 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@@H](C)C1 ZINC000653779006 431523785 /nfs/dbraw/zinc/52/37/85/431523785.db2.gz VUIYUQXGVMBUBQ-BBRMVZONSA-N 2 1 310.869 2.614 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)c(F)c2)CCCC1 ZINC000656788373 431524139 /nfs/dbraw/zinc/52/41/39/431524139.db2.gz LSLIMJIANJZFTM-UHFFFAOYSA-N 2 1 301.203 2.949 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647151388 431482006 /nfs/dbraw/zinc/48/20/06/431482006.db2.gz DPNYIWVYRPDZEU-HZPDHXFCSA-N 2 1 312.417 2.874 20 0 DFADMP Cc1[nH+]c2c(n1C[C@@H](O)C[N@H+](C)Cc1ccccc1)CCCC2 ZINC000656704591 431484956 /nfs/dbraw/zinc/48/49/56/431484956.db2.gz YWRTUBAWVRQMMS-KRWDZBQOSA-N 2 1 313.445 2.563 20 0 DFADMP COc1ccc(C2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000656698739 431486170 /nfs/dbraw/zinc/48/61/70/431486170.db2.gz NWYVYKIRXZIEAH-SFHVURJKSA-N 2 1 320.477 2.576 20 0 DFADMP COc1ccc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000656698739 431486173 /nfs/dbraw/zinc/48/61/73/431486173.db2.gz NWYVYKIRXZIEAH-SFHVURJKSA-N 2 1 320.477 2.576 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](C(C)C)CC2)o1 ZINC000647168651 431490060 /nfs/dbraw/zinc/49/00/60/431490060.db2.gz FNRQTLSUVNFVCL-UHFFFAOYSA-N 2 1 316.449 2.951 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C3CCC3)C[C@@H](C)C2)C1 ZINC000660613572 431514866 /nfs/dbraw/zinc/51/48/66/431514866.db2.gz OVXGWLUWNHLCAM-KSZLIROESA-N 2 1 307.526 2.771 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000660613572 431514872 /nfs/dbraw/zinc/51/48/72/431514872.db2.gz OVXGWLUWNHLCAM-KSZLIROESA-N 2 1 307.526 2.771 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](C3CCC3)C[C@@H](C)C2)C1 ZINC000660613572 431514876 /nfs/dbraw/zinc/51/48/76/431514876.db2.gz OVXGWLUWNHLCAM-KSZLIROESA-N 2 1 307.526 2.771 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000647217152 431515614 /nfs/dbraw/zinc/51/56/14/431515614.db2.gz BLIHVVSCGOGYKZ-OAHLLOKOSA-N 2 1 316.449 2.810 20 0 DFADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647343702 431559368 /nfs/dbraw/zinc/55/93/68/431559368.db2.gz AKLRLXDRLFWQRH-LZQZEXGQSA-N 2 1 312.461 2.899 20 0 DFADMP CCn1cc([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647343702 431559375 /nfs/dbraw/zinc/55/93/75/431559375.db2.gz AKLRLXDRLFWQRH-LZQZEXGQSA-N 2 1 312.461 2.899 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@]1(C)CCCO1 ZINC000647344622 431559596 /nfs/dbraw/zinc/55/95/96/431559596.db2.gz VRFJCWHHHXYBSN-YSHGAJCASA-N 2 1 302.462 2.879 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344544 431560177 /nfs/dbraw/zinc/56/01/77/431560177.db2.gz TZMWDOWRABNRBW-AOIWGVFYSA-N 2 1 324.472 2.733 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344545 431560383 /nfs/dbraw/zinc/56/03/83/431560383.db2.gz TZMWDOWRABNRBW-ZIFCJYIRSA-N 2 1 324.472 2.733 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659367 431535991 /nfs/dbraw/zinc/53/59/91/431535991.db2.gz OPUOUDZODVCRKN-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660659367 431535998 /nfs/dbraw/zinc/53/59/98/431535998.db2.gz OPUOUDZODVCRKN-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660659367 431536004 /nfs/dbraw/zinc/53/60/04/431536004.db2.gz OPUOUDZODVCRKN-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660659367 431536007 /nfs/dbraw/zinc/53/60/07/431536007.db2.gz OPUOUDZODVCRKN-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661257 431536384 /nfs/dbraw/zinc/53/63/84/431536384.db2.gz BZKZTPSRWNWLOW-MSOLQXFVSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661257 431536392 /nfs/dbraw/zinc/53/63/92/431536392.db2.gz BZKZTPSRWNWLOW-MSOLQXFVSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661257 431536396 /nfs/dbraw/zinc/53/63/96/431536396.db2.gz BZKZTPSRWNWLOW-MSOLQXFVSA-N 2 1 322.880 2.661 20 0 DFADMP COc1ccc([C@@H](CC(C)C)[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000647296438 431542778 /nfs/dbraw/zinc/54/27/78/431542778.db2.gz ILAPNUVNTBCNKW-LJQANCHMSA-N 2 1 320.477 2.829 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000647314137 431547106 /nfs/dbraw/zinc/54/71/06/431547106.db2.gz YZAFPDATLCXJOG-ZNMIVQPWSA-N 2 1 306.475 2.860 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678943 431548142 /nfs/dbraw/zinc/54/81/42/431548142.db2.gz HAEVYPRRIHNGNO-UHFFFAOYSA-N 2 1 317.477 2.547 20 0 DFADMP CC(C)[C@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359284213 280320708 /nfs/dbraw/zinc/32/07/08/280320708.db2.gz ZHQAIRCNDMLSSM-INIZCTEOSA-N 2 1 303.406 2.914 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@@H]1[NH3+] ZINC000647498188 431604848 /nfs/dbraw/zinc/60/48/48/431604848.db2.gz CGSDJXCXXIPJTD-DYVFJYSZSA-N 2 1 314.433 2.645 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000647479553 431600973 /nfs/dbraw/zinc/60/09/73/431600973.db2.gz LJJPGCRAZINIJH-RDJZCZTQSA-N 2 1 303.450 2.671 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000647479553 431600976 /nfs/dbraw/zinc/60/09/76/431600976.db2.gz LJJPGCRAZINIJH-RDJZCZTQSA-N 2 1 303.450 2.671 20 0 DFADMP COCCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480691 431601319 /nfs/dbraw/zinc/60/13/19/431601319.db2.gz XLALKDFRISFJCP-AEFFLSMTSA-N 2 1 318.461 2.676 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480691 431601326 /nfs/dbraw/zinc/60/13/26/431601326.db2.gz XLALKDFRISFJCP-AEFFLSMTSA-N 2 1 318.461 2.676 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480326 431602717 /nfs/dbraw/zinc/60/27/17/431602717.db2.gz JSCVOYCOMGDSPN-QZTJIDSGSA-N 2 1 314.477 2.646 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480326 431602724 /nfs/dbraw/zinc/60/27/24/431602724.db2.gz JSCVOYCOMGDSPN-QZTJIDSGSA-N 2 1 314.477 2.646 20 0 DFADMP Cc1cc(F)ccc1[C@H]1CCCN1C[C@H](O)C[N@H+](C)C(C)C ZINC000660753681 431579238 /nfs/dbraw/zinc/57/92/38/431579238.db2.gz KGUSXVFPPUBSGB-SJLPKXTDSA-N 2 1 308.441 2.972 20 0 DFADMP Cn1nc(C(F)(F)F)cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657292341 431652048 /nfs/dbraw/zinc/65/20/48/431652048.db2.gz ILVVEBISFWSOCA-UHFFFAOYSA-N 2 1 318.387 2.838 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000650705675 431652418 /nfs/dbraw/zinc/65/24/18/431652418.db2.gz QFTJBRXEIAMZNT-XNJGSVPQSA-N 2 1 310.388 2.683 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650706417 431652625 /nfs/dbraw/zinc/65/26/25/431652625.db2.gz JXZFKOHXNWXECM-HDMKZQKVSA-N 2 1 322.424 2.553 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650705228 431652741 /nfs/dbraw/zinc/65/27/41/431652741.db2.gz ABFMFKBZSVBVAE-YQVWRLOYSA-N 2 1 318.461 2.722 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650706667 431653042 /nfs/dbraw/zinc/65/30/42/431653042.db2.gz PYLWVXGCRBWWFC-LESCRADOSA-N 2 1 306.425 2.852 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705915 431653811 /nfs/dbraw/zinc/65/38/11/431653811.db2.gz AFCZMQXJBMPISU-JQHSSLGASA-N 2 1 306.425 2.852 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705757 431654568 /nfs/dbraw/zinc/65/45/68/431654568.db2.gz UKTKFFIXKVVKQS-YQVWRLOYSA-N 2 1 318.461 2.804 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000650708910 431656060 /nfs/dbraw/zinc/65/60/60/431656060.db2.gz USZJGLUVSFSBEW-HKUYNNGSSA-N 2 1 310.445 2.946 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C ZINC000650708339 431656612 /nfs/dbraw/zinc/65/66/12/431656612.db2.gz YDTRSSAEQWCDCZ-JENIJYKNSA-N 2 1 318.461 2.722 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650708318 431657067 /nfs/dbraw/zinc/65/70/67/431657067.db2.gz XRQCJUBZBFCIGS-OTWHNJEPSA-N 2 1 317.477 2.541 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)C1 ZINC000650708922 431657275 /nfs/dbraw/zinc/65/72/75/431657275.db2.gz VNBRNDVDSILXMW-NSHGMRRFSA-N 2 1 314.473 2.894 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1CC[NH3+] ZINC000650711152 431657961 /nfs/dbraw/zinc/65/79/61/431657961.db2.gz KASFSVDZVASFQO-KDOFPFPSSA-N 2 1 316.424 2.961 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000650709295 431658012 /nfs/dbraw/zinc/65/80/12/431658012.db2.gz PONRZMNNAXLIHW-GUYCJALGSA-N 2 1 316.474 2.834 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c(C3CC3)nc3sccn13)C2 ZINC000650709295 431658015 /nfs/dbraw/zinc/65/80/15/431658015.db2.gz PONRZMNNAXLIHW-GUYCJALGSA-N 2 1 316.474 2.834 20 0 DFADMP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]C[C@@H](C)[NH+](CC)CC)cn1 ZINC000657301400 431658177 /nfs/dbraw/zinc/65/81/77/431658177.db2.gz CWNVNVUVEIXKLN-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2cccc(-c3ccccn3)c2)C[C@H]1C[NH3+] ZINC000650714434 431659851 /nfs/dbraw/zinc/65/98/51/431659851.db2.gz DENSPRNVJLDNAH-IEBWSBKVSA-N 2 1 311.429 2.544 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000647496843 431606553 /nfs/dbraw/zinc/60/65/53/431606553.db2.gz XUVWSNOGDAJOGY-ZFWWWQNUSA-N 2 1 314.433 2.645 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1[NH3+] ZINC000647499085 431608591 /nfs/dbraw/zinc/60/85/91/431608591.db2.gz ZGEJTZRKULLNMX-DOTOQJQBSA-N 2 1 312.417 2.828 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000647498706 431608755 /nfs/dbraw/zinc/60/87/55/431608755.db2.gz NUMPPVUFXBOQBX-OCCSQVGLSA-N 2 1 304.463 2.708 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@@H]1[NH3+] ZINC000647498706 431608759 /nfs/dbraw/zinc/60/87/59/431608759.db2.gz NUMPPVUFXBOQBX-OCCSQVGLSA-N 2 1 304.463 2.708 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647509901 431611579 /nfs/dbraw/zinc/61/15/79/431611579.db2.gz QXQCVXDAMGBOSB-DZGCQCFKSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647509901 431611585 /nfs/dbraw/zinc/61/15/85/431611585.db2.gz QXQCVXDAMGBOSB-DZGCQCFKSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647509903 431611636 /nfs/dbraw/zinc/61/16/36/431611636.db2.gz QXQCVXDAMGBOSB-UKRRQHHQSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647509903 431611643 /nfs/dbraw/zinc/61/16/43/431611643.db2.gz QXQCVXDAMGBOSB-UKRRQHHQSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647509239 431611933 /nfs/dbraw/zinc/61/19/33/431611933.db2.gz XAWUUMOMMWHIBK-UONOGXRCSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647518085 431615003 /nfs/dbraw/zinc/61/50/03/431615003.db2.gz CWEYUDILSAEGEY-MRXNPFEDSA-N 2 1 316.493 2.971 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000647531096 431616777 /nfs/dbraw/zinc/61/67/77/431616777.db2.gz ALCBTZJAIWYWMQ-UHFFFAOYSA-N 2 1 311.429 2.974 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000647535632 431619815 /nfs/dbraw/zinc/61/98/15/431619815.db2.gz FNYAJNDNJDJRPQ-CQSZACIVSA-N 2 1 314.433 2.646 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000660840560 431622114 /nfs/dbraw/zinc/62/21/14/431622114.db2.gz YWUONDTXTNODTF-QZTJIDSGSA-N 2 1 304.478 2.956 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000660840560 431622118 /nfs/dbraw/zinc/62/21/18/431622118.db2.gz YWUONDTXTNODTF-QZTJIDSGSA-N 2 1 304.478 2.956 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543228 431625432 /nfs/dbraw/zinc/62/54/32/431625432.db2.gz JRWOYECSDBXAGS-JKSUJKDBSA-N 2 1 318.461 2.915 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657307157 431661294 /nfs/dbraw/zinc/66/12/94/431661294.db2.gz BJCGSDUNDRQWQT-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657307157 431661300 /nfs/dbraw/zinc/66/13/00/431661300.db2.gz BJCGSDUNDRQWQT-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP CCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650723755 431664891 /nfs/dbraw/zinc/66/48/91/431664891.db2.gz SXCMOIWYHKVZPB-CFVMTHIKSA-N 2 1 309.479 2.566 20 0 DFADMP CCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650723755 431664896 /nfs/dbraw/zinc/66/48/96/431664896.db2.gz SXCMOIWYHKVZPB-CFVMTHIKSA-N 2 1 309.479 2.566 20 0 DFADMP COc1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650721882 431664961 /nfs/dbraw/zinc/66/49/61/431664961.db2.gz FAHWYICYRCWSDP-NUJGCVRESA-N 2 1 304.434 2.556 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1F ZINC000650723133 431666757 /nfs/dbraw/zinc/66/67/57/431666757.db2.gz HVMNHDZPKYXYBL-ZMSDIMECSA-N 2 1 322.424 2.695 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2scnc2C2CC2)C1 ZINC000650725215 431668592 /nfs/dbraw/zinc/66/85/92/431668592.db2.gz VVILKLVHRLHUJR-RBSFLKMASA-N 2 1 321.490 2.881 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657312916 431668818 /nfs/dbraw/zinc/66/88/18/431668818.db2.gz MDYFZFSNLGWGDD-CEXWTWQISA-N 2 1 316.445 2.571 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000657312916 431668825 /nfs/dbraw/zinc/66/88/25/431668825.db2.gz MDYFZFSNLGWGDD-CEXWTWQISA-N 2 1 316.445 2.571 20 0 DFADMP CC(C)n1ccnc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000657315923 431673135 /nfs/dbraw/zinc/67/31/35/431673135.db2.gz UJMBDGXDSPNHEN-UHFFFAOYSA-N 2 1 316.449 2.694 20 0 DFADMP Fc1ccc2c(c1)[C@H](NCc1cnc3n1CCC3)CCCO2 ZINC000657326487 431676297 /nfs/dbraw/zinc/67/62/97/431676297.db2.gz UVNPXMBJNJMQBC-OAHLLOKOSA-N 2 1 301.365 2.972 20 0 DFADMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650746096 431678034 /nfs/dbraw/zinc/67/80/34/431678034.db2.gz VZVKYJPWFXFRJX-FUHWJXTLSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000650746096 431678038 /nfs/dbraw/zinc/67/80/38/431678038.db2.gz VZVKYJPWFXFRJX-FUHWJXTLSA-N 2 1 301.478 2.616 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCO[C@H]1c1cnn(C(C)C)c1 ZINC000660962258 431680717 /nfs/dbraw/zinc/68/07/17/431680717.db2.gz BZISHMJIWGWPIH-SJORKVTESA-N 2 1 308.470 2.616 20 0 DFADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000650756318 431681751 /nfs/dbraw/zinc/68/17/51/431681751.db2.gz ZIDPVPQOYODIDC-IPMKNSEASA-N 2 1 301.478 2.806 20 0 DFADMP c1nn2c(c1CNC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657334490 431683490 /nfs/dbraw/zinc/68/34/90/431683490.db2.gz BUCXBRFZZHQBOF-GOSISDBHSA-N 2 1 324.472 2.831 20 0 DFADMP c1nn2c(c1C[NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657334490 431683495 /nfs/dbraw/zinc/68/34/95/431683495.db2.gz BUCXBRFZZHQBOF-GOSISDBHSA-N 2 1 324.472 2.831 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647786532 431684020 /nfs/dbraw/zinc/68/40/20/431684020.db2.gz RCAZLWBCUBWLAG-GUDVDZBRSA-N 3 1 301.478 2.616 20 0 DFADMP c1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000647785506 431685666 /nfs/dbraw/zinc/68/56/66/431685666.db2.gz ALRNUIWDMQAMSS-BRWVUGGUSA-N 2 1 300.402 2.680 20 0 DFADMP c1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000647788518 431688328 /nfs/dbraw/zinc/68/83/28/431688328.db2.gz LBUFRGALTNJRCK-OTWHNJEPSA-N 2 1 302.462 2.756 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ccccc2s1 ZINC000664196711 431694503 /nfs/dbraw/zinc/69/45/03/431694503.db2.gz MTDUKEBMINHVOY-ZDUSSCGKSA-N 2 1 306.479 2.980 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccccc2s1 ZINC000664196711 431694506 /nfs/dbraw/zinc/69/45/06/431694506.db2.gz MTDUKEBMINHVOY-ZDUSSCGKSA-N 2 1 306.479 2.980 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000657355566 431694893 /nfs/dbraw/zinc/69/48/93/431694893.db2.gz UUIPZULYALAVGW-GFCCVEGCSA-N 2 1 312.255 2.584 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000657355566 431694896 /nfs/dbraw/zinc/69/48/96/431694896.db2.gz UUIPZULYALAVGW-GFCCVEGCSA-N 2 1 312.255 2.584 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000647854879 431707890 /nfs/dbraw/zinc/70/78/90/431707890.db2.gz GNUWMOKREWEMQG-UONOGXRCSA-N 2 1 314.433 2.733 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000657376550 431711950 /nfs/dbraw/zinc/71/19/50/431711950.db2.gz RYFDRBCWBYOJDR-VYDXJSESSA-N 2 1 306.450 2.673 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903452 431724462 /nfs/dbraw/zinc/72/44/62/431724462.db2.gz JKHRMFNMONCGAT-MSOLQXFVSA-N 2 1 321.509 2.537 20 0 DFADMP CCCCOCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000647913543 431725558 /nfs/dbraw/zinc/72/55/58/431725558.db2.gz PHHISPKZNTWAKJ-GOSISDBHSA-N 2 1 305.466 2.842 20 0 DFADMP CCCCOCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000647913543 431725564 /nfs/dbraw/zinc/72/55/64/431725564.db2.gz PHHISPKZNTWAKJ-GOSISDBHSA-N 2 1 305.466 2.842 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2C)CC[C@@H]1[NH3+] ZINC000647936286 431737698 /nfs/dbraw/zinc/73/76/98/431737698.db2.gz AUWAIHCCACIWGY-ZFWWWQNUSA-N 2 1 307.413 2.522 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937434 431737940 /nfs/dbraw/zinc/73/79/40/431737940.db2.gz ZBWBEWDGWXNNBS-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC[C@@H]1[NH3+] ZINC000647938859 431739311 /nfs/dbraw/zinc/73/93/11/431739311.db2.gz WFRZGMVTFHIVCK-KONPQCLYSA-N 2 1 317.477 2.620 20 0 DFADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC[C@@H]1[NH3+] ZINC000647938859 431739317 /nfs/dbraw/zinc/73/93/17/431739317.db2.gz WFRZGMVTFHIVCK-KONPQCLYSA-N 2 1 317.477 2.620 20 0 DFADMP C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429243 431749235 /nfs/dbraw/zinc/74/92/35/431749235.db2.gz HCSINBPCHCMZOY-CABCVRRESA-N 2 1 302.466 2.572 20 0 DFADMP C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429243 431749239 /nfs/dbraw/zinc/74/92/39/431749239.db2.gz HCSINBPCHCMZOY-CABCVRRESA-N 2 1 302.466 2.572 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964573 431755219 /nfs/dbraw/zinc/75/52/19/431755219.db2.gz PGMJDZLIJILYRE-WMLDXEAASA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964573 431755222 /nfs/dbraw/zinc/75/52/22/431755222.db2.gz PGMJDZLIJILYRE-WMLDXEAASA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964573 431755226 /nfs/dbraw/zinc/75/52/26/431755226.db2.gz PGMJDZLIJILYRE-WMLDXEAASA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964573 431755231 /nfs/dbraw/zinc/75/52/31/431755231.db2.gz PGMJDZLIJILYRE-WMLDXEAASA-N 2 1 312.885 2.904 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978264 431762753 /nfs/dbraw/zinc/76/27/53/431762753.db2.gz PBRLNOJYPOGPRK-MSOLQXFVSA-N 2 1 315.461 2.857 20 0 DFADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978280 431762952 /nfs/dbraw/zinc/76/29/52/431762952.db2.gz PIBJBXGVHOKFAM-BZSNNMDCSA-N 2 1 323.525 2.591 20 0 DFADMP C[NH+](C)CCC[N@H+](C)CCNc1ncnc2cc(Cl)ccc21 ZINC000664247678 431715759 /nfs/dbraw/zinc/71/57/59/431715759.db2.gz QVEUYSNQRMFWBJ-UHFFFAOYSA-N 2 1 321.856 2.579 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CCNc1ncnc2cc(Cl)ccc21 ZINC000664247678 431715766 /nfs/dbraw/zinc/71/57/66/431715766.db2.gz QVEUYSNQRMFWBJ-UHFFFAOYSA-N 2 1 321.856 2.579 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883384 431716358 /nfs/dbraw/zinc/71/63/58/431716358.db2.gz MUFCMGWAATWTLY-WMZOPIPTSA-N 2 1 323.525 2.783 20 0 DFADMP Cc1ccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)cc1 ZINC000647889382 431717666 /nfs/dbraw/zinc/71/76/66/431717666.db2.gz LKZNBRFUKFUTNP-RTBURBONSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc(CC[N@@H+](C[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000647889379 431718226 /nfs/dbraw/zinc/71/82/26/431718226.db2.gz LKZNBRFUKFUTNP-MOPGFXCFSA-N 2 1 302.462 2.628 20 0 DFADMP CC[N@@H+](CCCNCc1cnc2n1CCC2)C1CCCCC1 ZINC000657501474 431787906 /nfs/dbraw/zinc/78/79/06/431787906.db2.gz VPADWYIXYXMULB-UHFFFAOYSA-N 2 1 304.482 2.964 20 0 DFADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCN(C)C1 ZINC000648057486 431805344 /nfs/dbraw/zinc/80/53/44/431805344.db2.gz YGNVIMKSQNANQX-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP CCCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC000648057486 431805348 /nfs/dbraw/zinc/80/53/48/431805348.db2.gz YGNVIMKSQNANQX-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP CCCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000648057486 431805350 /nfs/dbraw/zinc/80/53/50/431805350.db2.gz YGNVIMKSQNANQX-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP C[C@@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000648071940 431809419 /nfs/dbraw/zinc/80/94/19/431809419.db2.gz BLBBTCYXHARGFE-HNNXBMFYSA-N 2 1 306.425 2.726 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647986909 431766285 /nfs/dbraw/zinc/76/62/85/431766285.db2.gz PIEQTFYTNOYYKN-ZWKOTPCHSA-N 2 1 318.461 2.533 20 0 DFADMP CCc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)o1 ZINC000657597549 431820713 /nfs/dbraw/zinc/82/07/13/431820713.db2.gz UPIOEQLYULEKFG-KRWDZBQOSA-N 2 1 314.429 2.698 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657596773 431821987 /nfs/dbraw/zinc/82/19/87/431821987.db2.gz YRVKJPXTMHLJCT-LZQZEXGQSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1(CO)CC1 ZINC000657608115 431823782 /nfs/dbraw/zinc/82/37/82/431823782.db2.gz QPNFVDQXZJJGOD-JFIYKMOQSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1(CO)CC1 ZINC000657608115 431823788 /nfs/dbraw/zinc/82/37/88/431823788.db2.gz QPNFVDQXZJJGOD-JFIYKMOQSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1ccc2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000261910887 281046659 /nfs/dbraw/zinc/04/66/59/281046659.db2.gz QFLJIFQMOPOSLP-IAOVAPTHSA-N 2 1 312.413 2.661 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356103465 282010601 /nfs/dbraw/zinc/01/06/01/282010601.db2.gz VEDZIPYRAAMDFB-CVEARBPZSA-N 2 1 319.493 2.790 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+]2CCC[C@@H]2C1 ZINC000363396491 289087833 /nfs/dbraw/zinc/08/78/33/289087833.db2.gz SVNYHYUWPGWWRL-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCOC(C)(C)C ZINC000354729266 289331577 /nfs/dbraw/zinc/33/15/77/289331577.db2.gz ISIYFYBDEOZZNP-IXDOHACOSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476723 290019603 /nfs/dbraw/zinc/01/96/03/290019603.db2.gz YCFZICIRGCMSCO-IMBTUZDBSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476723 290019605 /nfs/dbraw/zinc/01/96/05/290019605.db2.gz YCFZICIRGCMSCO-IMBTUZDBSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476723 290019606 /nfs/dbraw/zinc/01/96/06/290019606.db2.gz YCFZICIRGCMSCO-IMBTUZDBSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476723 290019608 /nfs/dbraw/zinc/01/96/08/290019608.db2.gz YCFZICIRGCMSCO-IMBTUZDBSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476723 290019609 /nfs/dbraw/zinc/01/96/09/290019609.db2.gz YCFZICIRGCMSCO-IMBTUZDBSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476723 290019611 /nfs/dbraw/zinc/01/96/11/290019611.db2.gz YCFZICIRGCMSCO-IMBTUZDBSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476723 290019612 /nfs/dbraw/zinc/01/96/12/290019612.db2.gz YCFZICIRGCMSCO-IMBTUZDBSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000249309245 290031041 /nfs/dbraw/zinc/03/10/41/290031041.db2.gz KTWNSCDYSKBKOB-WFGGJUAMSA-N 2 1 304.438 2.557 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177710446 290084862 /nfs/dbraw/zinc/08/48/62/290084862.db2.gz CPOQQFNPUXXMQS-IFXJQAMLSA-N 2 1 320.452 2.838 20 0 DFADMP CC(C)C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccccn1 ZINC000154345326 295297550 /nfs/dbraw/zinc/29/75/50/295297550.db2.gz ZWOSWEQWXALVND-IBGZPJMESA-N 2 1 318.509 2.786 20 0 DFADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154357869 295298246 /nfs/dbraw/zinc/29/82/46/295298246.db2.gz GAHIDXSLLKPTOA-DLBZAZTESA-N 2 1 312.885 2.809 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2c(C)noc2C)[C@H](C)C1 ZINC000155974766 295328738 /nfs/dbraw/zinc/32/87/38/295328738.db2.gz GABTYLNPFGUMNL-KDOFPFPSSA-N 2 1 323.481 2.561 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148391 295359331 /nfs/dbraw/zinc/35/93/31/295359331.db2.gz IKPUXRWCASOTPF-IRXDYDNUSA-N 3 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148391 295359333 /nfs/dbraw/zinc/35/93/33/295359333.db2.gz IKPUXRWCASOTPF-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158679739 295366244 /nfs/dbraw/zinc/36/62/44/295366244.db2.gz YTJKOPXHIRFGGH-BBWFWOEESA-N 2 1 311.514 2.591 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400356613 295497201 /nfs/dbraw/zinc/49/72/01/295497201.db2.gz AHEHUIWLCUQNIB-ZFWWWQNUSA-N 2 1 322.453 2.569 20 0 DFADMP C[C@@H]([NH2+]Cc1cc(Br)ccc1F)[C@H]1CC[NH2+]C1 ZINC000400728851 295498560 /nfs/dbraw/zinc/49/85/60/295498560.db2.gz IEKKEHBOHZKTBU-ZJUUUORDSA-N 2 1 301.203 2.676 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCC1)c1cccc(Cl)c1 ZINC000438511849 297096653 /nfs/dbraw/zinc/09/66/53/297096653.db2.gz LLGFXPBXBGPZSR-OAHLLOKOSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000438558079 297098665 /nfs/dbraw/zinc/09/86/65/297098665.db2.gz ZYALEAJCTZIWJX-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438569948 297099176 /nfs/dbraw/zinc/09/91/76/297099176.db2.gz UZGNSSXLOALYIR-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438569948 297099177 /nfs/dbraw/zinc/09/91/77/297099177.db2.gz UZGNSSXLOALYIR-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438569948 297099178 /nfs/dbraw/zinc/09/91/78/297099178.db2.gz UZGNSSXLOALYIR-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000438578604 297099645 /nfs/dbraw/zinc/09/96/45/297099645.db2.gz YBYUWIFYULPPEA-KRWDZBQOSA-N 2 1 321.509 2.774 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCn1cc[nH+]c1C ZINC000438977510 297110153 /nfs/dbraw/zinc/11/01/53/297110153.db2.gz KBAJOWZTFGFNRV-LBPRGKRZSA-N 2 1 316.405 2.509 20 0 DFADMP CC1(C)CC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000440156088 297146209 /nfs/dbraw/zinc/14/62/09/297146209.db2.gz NWMVHVONQUZARV-INIZCTEOSA-N 2 1 321.509 2.819 20 0 DFADMP CCCc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000441371340 297181563 /nfs/dbraw/zinc/18/15/63/297181563.db2.gz KSVOJVBLTYATOI-UHFFFAOYSA-N 2 1 303.494 2.755 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750741 297204298 /nfs/dbraw/zinc/20/42/98/297204298.db2.gz BKMYLKATYPWJCE-GJZGRUSLSA-N 2 1 311.429 2.838 20 0 DFADMP COc1ccc(-c2cnc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)o2)cc1 ZINC000442755035 297204672 /nfs/dbraw/zinc/20/46/72/297204672.db2.gz BNWKXJOCGDXDPM-OLZOCXBDSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)o2)cc1 ZINC000442755035 297204674 /nfs/dbraw/zinc/20/46/74/297204674.db2.gz BNWKXJOCGDXDPM-OLZOCXBDSA-N 2 1 301.390 2.519 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000442783129 297205761 /nfs/dbraw/zinc/20/57/61/297205761.db2.gz SLWYYCXYNAJVJF-HOTGVXAUSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000442783129 297205762 /nfs/dbraw/zinc/20/57/62/297205762.db2.gz SLWYYCXYNAJVJF-HOTGVXAUSA-N 2 1 323.440 2.961 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1OC(F)F ZINC000442923923 297211082 /nfs/dbraw/zinc/21/10/82/297211082.db2.gz RIKZMOKLPRNZNC-GFCCVEGCSA-N 2 1 314.376 2.857 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1)OCCO2 ZINC000442919373 297211207 /nfs/dbraw/zinc/21/12/07/297211207.db2.gz ITSRROVITQOHKO-ZDUSSCGKSA-N 2 1 322.474 2.741 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000442918248 297211332 /nfs/dbraw/zinc/21/13/32/297211332.db2.gz GKZBLRRGMXYVBE-ZDUSSCGKSA-N 2 1 302.447 2.766 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443056536 297213569 /nfs/dbraw/zinc/21/35/69/297213569.db2.gz CWAFHYYLUJZBLR-GOEBONIOSA-N 2 1 303.450 2.637 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057823 297213857 /nfs/dbraw/zinc/21/38/57/297213857.db2.gz IFHQLRFIZMSJPK-ZDUSSCGKSA-N 2 1 304.413 2.756 20 0 DFADMP Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443058448 297213920 /nfs/dbraw/zinc/21/39/20/297213920.db2.gz AEMNVPUVRLFXEG-OAHLLOKOSA-N 2 1 314.433 2.530 20 0 DFADMP Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000443058448 297213922 /nfs/dbraw/zinc/21/39/22/297213922.db2.gz AEMNVPUVRLFXEG-OAHLLOKOSA-N 2 1 314.433 2.530 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062277 297214271 /nfs/dbraw/zinc/21/42/71/297214271.db2.gz UFVVHZMNKUIIQD-UONOGXRCSA-N 2 1 307.413 2.522 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443078668 297215602 /nfs/dbraw/zinc/21/56/02/297215602.db2.gz XIOYXOZKHMXSSC-HOTGVXAUSA-N 2 1 303.450 2.691 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443086846 297215654 /nfs/dbraw/zinc/21/56/54/297215654.db2.gz HRGILBRZYVPQPI-KBXCAEBGSA-N 2 1 321.896 2.628 20 0 DFADMP CCC[N@H+](C)CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444445740 297236824 /nfs/dbraw/zinc/23/68/24/297236824.db2.gz IFLUKHXTUIZEOD-AWEZNQCLSA-N 2 1 314.433 2.700 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000444445740 297236825 /nfs/dbraw/zinc/23/68/25/297236825.db2.gz IFLUKHXTUIZEOD-AWEZNQCLSA-N 2 1 314.433 2.700 20 0 DFADMP COc1ccc(OCC[N@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000444581965 297240210 /nfs/dbraw/zinc/24/02/10/297240210.db2.gz IGLDBSLKJNPDKH-UHFFFAOYSA-N 2 1 306.450 2.882 20 0 DFADMP COc1ccc(OCC[N@@H+](C)CCC[NH+]2CCCCC2)cc1 ZINC000444581965 297240213 /nfs/dbraw/zinc/24/02/13/297240213.db2.gz IGLDBSLKJNPDKH-UHFFFAOYSA-N 2 1 306.450 2.882 20 0 DFADMP c1cc(C2([NH2+]CCC[NH+]3CCCCC3)CC2)cc2c1OCO2 ZINC000444615650 297241411 /nfs/dbraw/zinc/24/14/11/297241411.db2.gz HHIMVSXBQVSFSI-UHFFFAOYSA-N 2 1 302.418 2.870 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000360932928 297286716 /nfs/dbraw/zinc/28/67/16/297286716.db2.gz HSWPBTVOYPRVDJ-QLFBSQMISA-N 2 1 304.482 2.568 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000360932928 297286717 /nfs/dbraw/zinc/28/67/17/297286717.db2.gz HSWPBTVOYPRVDJ-QLFBSQMISA-N 2 1 304.482 2.568 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000446819446 297287222 /nfs/dbraw/zinc/28/72/22/297287222.db2.gz XWCVLUVDIOQIFX-ZWKOTPCHSA-N 2 1 308.441 2.959 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447527965 297306491 /nfs/dbraw/zinc/30/64/91/297306491.db2.gz HMFWUPPTEJKLRZ-MOPGFXCFSA-N 2 1 316.420 2.622 20 0 DFADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1)[NH+](CC)CC ZINC000448444909 297339867 /nfs/dbraw/zinc/33/98/67/297339867.db2.gz RJDDONNMLPKLTE-IAGOWNOFSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552021 297342714 /nfs/dbraw/zinc/34/27/14/297342714.db2.gz JCOKINCLDFJOIS-UYAOXDASSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552021 297342715 /nfs/dbraw/zinc/34/27/15/297342715.db2.gz JCOKINCLDFJOIS-UYAOXDASSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552021 297342716 /nfs/dbraw/zinc/34/27/16/297342716.db2.gz JCOKINCLDFJOIS-UYAOXDASSA-N 2 1 315.505 2.925 20 0 DFADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cs1 ZINC000449022932 297392841 /nfs/dbraw/zinc/39/28/41/297392841.db2.gz LYOKSWFWOPFIIT-KRWDZBQOSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC000449022932 297392842 /nfs/dbraw/zinc/39/28/42/297392842.db2.gz LYOKSWFWOPFIIT-KRWDZBQOSA-N 2 1 307.507 2.658 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)[nH]c1C ZINC000449089206 297403297 /nfs/dbraw/zinc/40/32/97/297403297.db2.gz KBZDKVJQTPDWOX-AWEZNQCLSA-N 2 1 321.465 2.711 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449349916 297451440 /nfs/dbraw/zinc/45/14/40/297451440.db2.gz SARLUKXELMJMLR-OAGGEKHMSA-N 2 1 318.465 2.517 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2ccccn2)s1 ZINC000449391707 297456944 /nfs/dbraw/zinc/45/69/44/297456944.db2.gz GHDSGSHNYKTTPF-UHFFFAOYSA-N 2 1 304.463 2.667 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000453099386 298061782 /nfs/dbraw/zinc/06/17/82/298061782.db2.gz KSSDSGDKUAYKLQ-OIISXLGYSA-N 2 1 310.869 2.563 20 0 DFADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453108213 298062339 /nfs/dbraw/zinc/06/23/39/298062339.db2.gz JNKAHABANTXODC-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453182902 298069301 /nfs/dbraw/zinc/06/93/01/298069301.db2.gz SURLJDLRURKOQO-OAHLLOKOSA-N 2 1 310.445 3.000 20 0 DFADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453198339 298070705 /nfs/dbraw/zinc/07/07/05/298070705.db2.gz NYFIBCWOHZIYLZ-MANSERQUSA-N 2 1 302.462 2.790 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(OC)CCCC2)[C@H](C)C1 ZINC000453223187 298073071 /nfs/dbraw/zinc/07/30/71/298073071.db2.gz LONLVQWUYVPHCM-SJORKVTESA-N 2 1 312.498 2.672 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453251846 298075315 /nfs/dbraw/zinc/07/53/15/298075315.db2.gz MCGUPHWLPKBFGT-HSALFYBXSA-N 2 1 324.472 2.985 20 0 DFADMP CCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)COC1 ZINC000453336544 298084396 /nfs/dbraw/zinc/08/43/96/298084396.db2.gz AHAQVQRQKIPRGJ-FUHWJXTLSA-N 2 1 302.462 2.913 20 0 DFADMP COCC(COC)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453354917 298086783 /nfs/dbraw/zinc/08/67/83/298086783.db2.gz SDLYOXCYURENNV-UHFFFAOYSA-N 2 1 320.477 2.681 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420626 298093149 /nfs/dbraw/zinc/09/31/49/298093149.db2.gz ZREBHUVFONWHBQ-FXAWDEMLSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1C ZINC000453455220 298097259 /nfs/dbraw/zinc/09/72/59/298097259.db2.gz UNANXVPYBQBFOW-UAFMIMERSA-N 2 1 316.489 2.669 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCCc4[nH+]ccn43)ccc21 ZINC000456328889 298496763 /nfs/dbraw/zinc/49/67/63/298496763.db2.gz RRDAJGPFMSQWEJ-IAGOWNOFSA-N 2 1 324.428 2.948 20 0 DFADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000496770730 300111378 /nfs/dbraw/zinc/11/13/78/300111378.db2.gz BCNBAIFWZTVSSS-AWEZNQCLSA-N 2 1 311.470 2.508 20 0 DFADMP CC(C)(C)OC(=O)NCCC[NH2+][C@H]1CC[N@H+](C2CCCC2)C1 ZINC000496770730 300111381 /nfs/dbraw/zinc/11/13/81/300111381.db2.gz BCNBAIFWZTVSSS-AWEZNQCLSA-N 2 1 311.470 2.508 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496862077 300125134 /nfs/dbraw/zinc/12/51/34/300125134.db2.gz GTAZEIVZMXYFET-HNNXBMFYSA-N 2 1 313.486 2.565 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496862077 300125136 /nfs/dbraw/zinc/12/51/36/300125136.db2.gz GTAZEIVZMXYFET-HNNXBMFYSA-N 2 1 313.486 2.565 20 0 DFADMP CC[NH+](CC)C[C@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497034089 300150444 /nfs/dbraw/zinc/15/04/44/300150444.db2.gz JNRBCZJRNJZTFY-UONOGXRCSA-N 2 1 313.486 2.562 20 0 DFADMP CC[N@@H+]1C[C@@H](C)N(c2cc(C(C)C)[nH+]c(N(C)C)n2)C[C@H]1C ZINC000497517328 300191007 /nfs/dbraw/zinc/19/10/07/300191007.db2.gz XOEOBSMTRFTVCM-ZIAGYGMSSA-N 2 1 305.470 2.585 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(c2cc(C(C)C)[nH+]c(N(C)C)n2)C[C@H]1C ZINC000497517328 300191009 /nfs/dbraw/zinc/19/10/09/300191009.db2.gz XOEOBSMTRFTVCM-ZIAGYGMSSA-N 2 1 305.470 2.585 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1(C(=O)OC)CCC1 ZINC000498940540 300200089 /nfs/dbraw/zinc/20/00/89/300200089.db2.gz QRVBVXRUDLSJLN-DLBZAZTESA-N 2 1 322.493 2.962 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1(C(=O)OC)CCC1 ZINC000498940540 300200091 /nfs/dbraw/zinc/20/00/91/300200091.db2.gz QRVBVXRUDLSJLN-DLBZAZTESA-N 2 1 322.493 2.962 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513506386 300257881 /nfs/dbraw/zinc/25/78/81/300257881.db2.gz PWRVYAWLKZOXPY-UMGGQSCQSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1[C@H]([NH2+]CCc2c[nH+]cn2C)CCCN1Cc1ccccc1 ZINC000514618982 300263596 /nfs/dbraw/zinc/26/35/96/300263596.db2.gz PCDHOGWSBPHTBD-VQIMIIECSA-N 2 1 312.461 2.605 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CC1Cc2ccccc2C1 ZINC000515099665 300290103 /nfs/dbraw/zinc/29/01/03/300290103.db2.gz NROVFFAMHAFDPP-HSALFYBXSA-N 2 1 314.473 2.585 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000515177955 300293639 /nfs/dbraw/zinc/29/36/39/300293639.db2.gz BDRRIYVHRCWGIX-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000515846344 300322795 /nfs/dbraw/zinc/32/27/95/300322795.db2.gz UPKMMWUWBDOCPA-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP CC[N@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769168 300359583 /nfs/dbraw/zinc/35/95/83/300359583.db2.gz SPQSPVBMUOUCCZ-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769168 300359585 /nfs/dbraw/zinc/35/95/85/300359585.db2.gz SPQSPVBMUOUCCZ-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769168 300359588 /nfs/dbraw/zinc/35/95/88/300359588.db2.gz SPQSPVBMUOUCCZ-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP Cn1cncc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000517010015 300376510 /nfs/dbraw/zinc/37/65/10/300376510.db2.gz XNIPPJLVIGTPIM-LDLYASANSA-N 2 1 324.472 2.748 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000517371972 300394303 /nfs/dbraw/zinc/39/43/03/300394303.db2.gz OQGXYLBRBGHUCI-GOSISDBHSA-N 2 1 304.434 2.588 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000517371972 300394305 /nfs/dbraw/zinc/39/43/05/300394305.db2.gz OQGXYLBRBGHUCI-GOSISDBHSA-N 2 1 304.434 2.588 20 0 DFADMP Cc1cccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000519761754 300475430 /nfs/dbraw/zinc/47/54/30/300475430.db2.gz FNWDFGSQRCGJFV-IEBWSBKVSA-N 2 1 309.413 2.736 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1 ZINC000530178785 301026179 /nfs/dbraw/zinc/02/61/79/301026179.db2.gz RAMBEFNEWCTKAD-HOCLYGCPSA-N 2 1 301.434 2.586 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@H]1CC[NH2+]C1 ZINC000530219507 301031224 /nfs/dbraw/zinc/03/12/24/301031224.db2.gz JIOQTQLQAACWLK-IUCAKERBSA-N 2 1 319.193 2.815 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc(-n3cccn3)c2)CC1 ZINC000530464369 301049776 /nfs/dbraw/zinc/04/97/76/301049776.db2.gz KSAZJVHSWSTJPE-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP CCc1cccc(NC(=O)CN(C)[C@@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000530662796 301061794 /nfs/dbraw/zinc/06/17/94/301061794.db2.gz CBHZMYBCXMNCOU-MAUKXSAKSA-N 2 1 317.477 2.992 20 0 DFADMP C[C@@H](CC1CC1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531678187 301103751 /nfs/dbraw/zinc/10/37/51/301103751.db2.gz IEFSKXVBRAKOOL-HOCLYGCPSA-N 2 1 307.507 2.815 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701619 301104558 /nfs/dbraw/zinc/10/45/58/301104558.db2.gz AMEZCBIBKPHRQJ-HUUCEWRRSA-N 2 1 315.461 2.954 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)nc2)[C@@H](C)C1 ZINC000531715881 301105533 /nfs/dbraw/zinc/10/55/33/301105533.db2.gz RZCUGTWFNVEPQP-LPHOPBHVSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728694 301106850 /nfs/dbraw/zinc/10/68/50/301106850.db2.gz FCYUWWZRZXLFBZ-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728694 301106852 /nfs/dbraw/zinc/10/68/52/301106852.db2.gz FCYUWWZRZXLFBZ-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954932 301121014 /nfs/dbraw/zinc/12/10/14/301121014.db2.gz IKVLAAYNQNNNFF-KBPBESRZSA-N 2 1 301.434 2.564 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000531984233 301123226 /nfs/dbraw/zinc/12/32/26/301123226.db2.gz POAXBUUFVAYHEZ-AOIWGVFYSA-N 2 1 307.526 2.961 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]C(C2CC2)C2CC2)c2cccs2)CC1 ZINC000532188740 301135358 /nfs/dbraw/zinc/13/53/58/301135358.db2.gz VAURKQNGQRJMJY-MRXNPFEDSA-N 2 1 319.518 2.815 20 0 DFADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000532192565 301135989 /nfs/dbraw/zinc/13/59/89/301135989.db2.gz ZNWRSYHMFOPNAE-PBHICJAKSA-N 2 1 303.450 2.855 20 0 DFADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000532192565 301135991 /nfs/dbraw/zinc/13/59/91/301135991.db2.gz ZNWRSYHMFOPNAE-PBHICJAKSA-N 2 1 303.450 2.855 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532208295 301136368 /nfs/dbraw/zinc/13/63/68/301136368.db2.gz FYSLQHJUHMHHLQ-KRWDZBQOSA-N 2 1 308.853 2.764 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532214721 301136964 /nfs/dbraw/zinc/13/69/64/301136964.db2.gz DHFXCCDUOAWVNI-NFOMZHRRSA-N 2 1 322.415 2.932 20 0 DFADMP CC[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC000532450160 301153599 /nfs/dbraw/zinc/15/35/99/301153599.db2.gz SQYREILWHBGMLE-ROKHWSDSSA-N 2 1 308.388 2.686 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN([C@H](C)C(=O)Nc2nccs2)CC1 ZINC000533408601 301200136 /nfs/dbraw/zinc/20/01/36/301200136.db2.gz ARLXWGGBCNCRBA-CYBMUJFWSA-N 2 1 324.494 2.522 20 0 DFADMP CCO[C@H](C)c1nc(C[N@@H+]2CC[C@H](c3nccn3C)C2)cs1 ZINC000533865545 301215163 /nfs/dbraw/zinc/21/51/63/301215163.db2.gz QBBMOESODRYKGC-OLZOCXBDSA-N 2 1 320.462 2.964 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000534347184 301230567 /nfs/dbraw/zinc/23/05/67/301230567.db2.gz SZFCDLCCJATOGM-UHFFFAOYSA-N 2 1 300.450 2.887 20 0 DFADMP CCc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)s1 ZINC000535837140 301263724 /nfs/dbraw/zinc/26/37/24/301263724.db2.gz JGTMZFYIIKISFU-OAHLLOKOSA-N 2 1 307.507 2.522 20 0 DFADMP COc1c(O)cccc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000537613036 301306528 /nfs/dbraw/zinc/30/65/28/301306528.db2.gz RODFAXZDMATNKV-UHFFFAOYSA-N 2 1 306.450 2.953 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000538762948 301331311 /nfs/dbraw/zinc/33/13/11/301331311.db2.gz UVIDMEXHROTWTG-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]C2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000540141403 301358413 /nfs/dbraw/zinc/35/84/13/301358413.db2.gz LLFDNOSKTCNKDL-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000540141403 301358416 /nfs/dbraw/zinc/35/84/16/301358416.db2.gz LLFDNOSKTCNKDL-PKOBYXMFSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000540141403 301358418 /nfs/dbraw/zinc/35/84/18/301358418.db2.gz LLFDNOSKTCNKDL-PKOBYXMFSA-N 3 1 315.505 2.971 20 0 DFADMP C[N@H+]1CC[C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)[C@H]2C1 ZINC000540918969 301374765 /nfs/dbraw/zinc/37/47/65/301374765.db2.gz XPDNQAZPORXVRB-WMZOPIPTSA-N 2 1 308.429 2.670 20 0 DFADMP COC(=O)[C@H](C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000541057460 301382176 /nfs/dbraw/zinc/38/21/76/301382176.db2.gz LTJUQQOFPPWRRE-QAPCUYQASA-N 2 1 322.493 2.915 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1ccn(C)n1 ZINC000541735836 301396036 /nfs/dbraw/zinc/39/60/36/301396036.db2.gz HBTVXKNBGTZASM-MRXNPFEDSA-N 2 1 316.449 2.601 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000552084156 301680332 /nfs/dbraw/zinc/68/03/32/301680332.db2.gz RBYZGEOXUKUIFB-NJAFHUGGSA-N 2 1 323.525 2.780 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C1 ZINC000562955974 302017414 /nfs/dbraw/zinc/01/74/14/302017414.db2.gz RCNVPJUAVIAEOI-IKGGRYGDSA-N 2 1 304.482 2.944 20 0 DFADMP C[N@@H+](C[C@@H](O)CN[C@@H]1CCCOc2c(Cl)cccc21)C1CC1 ZINC000562992332 302022364 /nfs/dbraw/zinc/02/23/64/302022364.db2.gz ONYSWRSCHAQPNG-XJKSGUPXSA-N 2 1 324.852 2.598 20 0 DFADMP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)Cc1ccccc1 ZINC000563003031 302024517 /nfs/dbraw/zinc/02/45/17/302024517.db2.gz MUCXASLZHBMQEC-IEBWSBKVSA-N 2 1 304.478 2.546 20 0 DFADMP CC(C)[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)Cc1ccccc1 ZINC000563003031 302024519 /nfs/dbraw/zinc/02/45/19/302024519.db2.gz MUCXASLZHBMQEC-IEBWSBKVSA-N 2 1 304.478 2.546 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000563804205 302099177 /nfs/dbraw/zinc/09/91/77/302099177.db2.gz BAQAZGLXAHAKOB-VHSSKADRSA-N 2 1 313.445 2.849 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc2c(c1)CCC(=O)N2 ZINC000563804205 302099180 /nfs/dbraw/zinc/09/91/80/302099180.db2.gz BAQAZGLXAHAKOB-VHSSKADRSA-N 2 1 313.445 2.849 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC(C)(C)O)C2)s1 ZINC000563889099 302106466 /nfs/dbraw/zinc/10/64/66/302106466.db2.gz GEAWEIOJTKCNCD-OAHLLOKOSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC(C)(C)O)C2)s1 ZINC000563889099 302106467 /nfs/dbraw/zinc/10/64/67/302106467.db2.gz GEAWEIOJTKCNCD-OAHLLOKOSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC(C)(C)O)C2)s1 ZINC000563889099 302106468 /nfs/dbraw/zinc/10/64/68/302106468.db2.gz GEAWEIOJTKCNCD-OAHLLOKOSA-N 2 1 310.507 2.971 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCCC(=O)NC)CC1)CC(C)C ZINC000564095948 302118754 /nfs/dbraw/zinc/11/87/54/302118754.db2.gz BMWMZBKFRTYBLT-UHFFFAOYSA-N 2 1 311.514 2.593 20 0 DFADMP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n1C ZINC000564353031 302131302 /nfs/dbraw/zinc/13/13/02/302131302.db2.gz YWHKWJWVGYAIJJ-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000564587040 302143372 /nfs/dbraw/zinc/14/33/72/302143372.db2.gz VZVHDZCYVUVQKK-DAXOMENPSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000564587040 302143375 /nfs/dbraw/zinc/14/33/75/302143375.db2.gz VZVHDZCYVUVQKK-DAXOMENPSA-N 2 1 323.868 2.542 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000564782388 302158478 /nfs/dbraw/zinc/15/84/78/302158478.db2.gz PKWSOIKIHGCXKS-NEPJUHHUSA-N 2 1 312.255 2.837 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000564782388 302158481 /nfs/dbraw/zinc/15/84/81/302158481.db2.gz PKWSOIKIHGCXKS-NEPJUHHUSA-N 2 1 312.255 2.837 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000564782390 302158504 /nfs/dbraw/zinc/15/85/04/302158504.db2.gz PKWSOIKIHGCXKS-RYUDHWBXSA-N 2 1 312.255 2.837 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000564782390 302158506 /nfs/dbraw/zinc/15/85/06/302158506.db2.gz PKWSOIKIHGCXKS-RYUDHWBXSA-N 2 1 312.255 2.837 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000564853154 302164744 /nfs/dbraw/zinc/16/47/44/302164744.db2.gz AZRZIBAEYGQJGT-SFHVURJKSA-N 2 1 301.434 2.555 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941151 302175959 /nfs/dbraw/zinc/17/59/59/302175959.db2.gz ALTGAYDKZANBQW-ROUUACIJSA-N 2 1 317.477 2.800 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000564956827 302176841 /nfs/dbraw/zinc/17/68/41/302176841.db2.gz WEBVWTJYXMCCRA-ZWKOTPCHSA-N 2 1 317.477 2.847 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](CCSC2CCCCC2)CC1 ZINC000565160164 302199390 /nfs/dbraw/zinc/19/93/90/302199390.db2.gz BRKWZNILOLWCFU-UHFFFAOYSA-N 2 1 314.539 2.877 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1nc(C3CCCC3)no1)CC[NH2+]CC2 ZINC000565651913 302235085 /nfs/dbraw/zinc/23/50/85/302235085.db2.gz VHWRSHPFUBTLFX-ZDUSSCGKSA-N 2 1 304.438 2.691 20 0 DFADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000565653202 302235120 /nfs/dbraw/zinc/23/51/20/302235120.db2.gz GMHAPWBEFYXZFL-HOCLYGCPSA-N 2 1 308.491 2.520 20 0 DFADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000565653202 302235122 /nfs/dbraw/zinc/23/51/22/302235122.db2.gz GMHAPWBEFYXZFL-HOCLYGCPSA-N 2 1 308.491 2.520 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1c1ccccc1OC ZINC000565723895 302239499 /nfs/dbraw/zinc/23/94/99/302239499.db2.gz JSDYQDNGDLVHFY-JFIYKMOQSA-N 2 1 320.477 2.923 20 0 DFADMP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000566089478 302258335 /nfs/dbraw/zinc/25/83/35/302258335.db2.gz BBSLXHBMROAYCR-QRTARXTBSA-N 2 1 309.885 2.920 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000567378218 302355150 /nfs/dbraw/zinc/35/51/50/302355150.db2.gz TVIODIZEEYVWEX-AWEZNQCLSA-N 2 1 323.868 2.990 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCCCCO)C2)s1 ZINC000567617863 302374057 /nfs/dbraw/zinc/37/40/57/302374057.db2.gz XMZHGIZURDXWHI-INIZCTEOSA-N 2 1 310.507 2.973 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCCCCO)C2)s1 ZINC000567617863 302374061 /nfs/dbraw/zinc/37/40/61/302374061.db2.gz XMZHGIZURDXWHI-INIZCTEOSA-N 2 1 310.507 2.973 20 0 DFADMP C[C@H]1COCC[N@@H+]1C1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000567624308 302374625 /nfs/dbraw/zinc/37/46/25/302374625.db2.gz LJRFFSXYQGFUOL-ZOCIIQOWSA-N 2 1 318.436 2.867 20 0 DFADMP C[C@H]1COCC[N@H+]1C1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000567624308 302374627 /nfs/dbraw/zinc/37/46/27/302374627.db2.gz LJRFFSXYQGFUOL-ZOCIIQOWSA-N 2 1 318.436 2.867 20 0 DFADMP CCc1ccc(C(C)(C)C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567725966 302384632 /nfs/dbraw/zinc/38/46/32/302384632.db2.gz RVPMMFKZJITLCH-SFHVURJKSA-N 2 1 304.478 2.571 20 0 DFADMP CCc1ccc(C(C)(C)C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567725966 302384634 /nfs/dbraw/zinc/38/46/34/302384634.db2.gz RVPMMFKZJITLCH-SFHVURJKSA-N 2 1 304.478 2.571 20 0 DFADMP C[C@@H](O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851576 302393083 /nfs/dbraw/zinc/39/30/83/302393083.db2.gz QEOWMNDWFGCTCV-AEFFLSMTSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H](O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851576 302393087 /nfs/dbraw/zinc/39/30/87/302393087.db2.gz QEOWMNDWFGCTCV-AEFFLSMTSA-N 2 1 302.462 2.934 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CC[C@H]2C2CC2)c2cccs2)CC1 ZINC000568548087 302458924 /nfs/dbraw/zinc/45/89/24/302458924.db2.gz VMEMGKXFVGZPRQ-YESZJQIVSA-N 2 1 319.518 2.815 20 0 DFADMP C[C@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+]1CC(C)C1 ZINC000572734217 302679470 /nfs/dbraw/zinc/67/94/70/302679470.db2.gz YUZSFAJZIDSGRU-MRXNPFEDSA-N 2 1 315.461 2.604 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccc2c(c1)CCC2)C1CC[NH+](C)CC1 ZINC000180958561 316047446 /nfs/dbraw/zinc/04/74/46/316047446.db2.gz QSKOGDJTPDUMMY-UHFFFAOYSA-N 2 1 315.505 2.633 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(CC)CC ZINC000181751228 316070684 /nfs/dbraw/zinc/07/06/84/316070684.db2.gz YQTIPFBHJFGPSK-JKSUJKDBSA-N 2 1 312.498 2.671 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C[S@](C)=O)c1ccccc1 ZINC000183185967 316133143 /nfs/dbraw/zinc/13/31/43/316133143.db2.gz BRXKOQDYBHJPRS-VGSWGCGISA-N 2 1 319.474 2.681 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccnn2C)cc1 ZINC000184018018 316156904 /nfs/dbraw/zinc/15/69/04/316156904.db2.gz LDWFDIAVGNSEKL-AWEZNQCLSA-N 2 1 309.417 2.808 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC(C)(C)C ZINC000185663528 316189735 /nfs/dbraw/zinc/18/97/35/316189735.db2.gz GUTCNMODIBTXFU-SOUVJXGZSA-N 2 1 309.498 2.532 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC(C)(C)C ZINC000185663528 316189737 /nfs/dbraw/zinc/18/97/37/316189737.db2.gz GUTCNMODIBTXFU-SOUVJXGZSA-N 2 1 309.498 2.532 20 0 DFADMP CCOC(=O)CCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709970 316191168 /nfs/dbraw/zinc/19/11/68/316191168.db2.gz SMIHGHZGYSKGHJ-JKSUJKDBSA-N 2 1 310.482 2.962 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1)C(C)C ZINC000246675205 316224895 /nfs/dbraw/zinc/22/48/95/316224895.db2.gz FWZHYCZCEZWQAJ-HOTGVXAUSA-N 2 1 317.477 2.739 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000314581859 316240366 /nfs/dbraw/zinc/24/03/66/316240366.db2.gz NZBWVMGGABXNAN-KSZLIROESA-N 2 1 305.466 2.758 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000314581859 316240371 /nfs/dbraw/zinc/24/03/71/316240371.db2.gz NZBWVMGGABXNAN-KSZLIROESA-N 2 1 305.466 2.758 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000346104208 316318018 /nfs/dbraw/zinc/31/80/18/316318018.db2.gz QJBZLNYGZYMPEQ-DLBZAZTESA-N 2 1 317.477 2.541 20 0 DFADMP CC(C)CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccoc1 ZINC000353502844 316524169 /nfs/dbraw/zinc/52/41/69/316524169.db2.gz MCXDQQFEEFSTFZ-KRWDZBQOSA-N 2 1 321.465 2.511 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360012998 316572504 /nfs/dbraw/zinc/57/25/04/316572504.db2.gz DTWQJGGZNGGGFQ-HOCLYGCPSA-N 2 1 315.417 2.574 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360012996 316572622 /nfs/dbraw/zinc/57/26/22/316572622.db2.gz DTWQJGGZNGGGFQ-GDBMZVCRSA-N 2 1 315.417 2.574 20 0 DFADMP COCc1cc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000360011968 316573043 /nfs/dbraw/zinc/57/30/43/316573043.db2.gz ABSXSGURAQHHFY-XJKSGUPXSA-N 2 1 315.417 2.704 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000414789938 316658302 /nfs/dbraw/zinc/65/83/02/316658302.db2.gz GATQNPJHFBCBPT-QMTHXVAHSA-N 2 1 313.239 2.675 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCCC3(F)F)C2)CC1 ZINC000450392947 317088553 /nfs/dbraw/zinc/08/85/53/317088553.db2.gz PGWFRSBWCMJTGI-HZPDHXFCSA-N 2 1 315.452 2.524 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000450503447 317100656 /nfs/dbraw/zinc/10/06/56/317100656.db2.gz XPILOZQZZISAEN-AYOQOUSVSA-N 2 1 312.413 2.699 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452030670 317117989 /nfs/dbraw/zinc/11/79/89/317117989.db2.gz HUMJEOSNPJFDOU-UHFFFAOYSA-N 2 1 318.387 2.540 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCN(CC(F)(F)F)CC1 ZINC000452030670 317117991 /nfs/dbraw/zinc/11/79/91/317117991.db2.gz HUMJEOSNPJFDOU-UHFFFAOYSA-N 2 1 318.387 2.540 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453081188 317160440 /nfs/dbraw/zinc/16/04/40/317160440.db2.gz PKKJOVCVBUJUOF-ZCNNSNEGSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453081188 317160443 /nfs/dbraw/zinc/16/04/43/317160443.db2.gz PKKJOVCVBUJUOF-ZCNNSNEGSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453081188 317160446 /nfs/dbraw/zinc/16/04/46/317160446.db2.gz PKKJOVCVBUJUOF-ZCNNSNEGSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncn1 ZINC000453103444 317162937 /nfs/dbraw/zinc/16/29/37/317162937.db2.gz CHLQDLRHUUSPDZ-SJLPKXTDSA-N 2 1 310.445 2.692 20 0 DFADMP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1Cl ZINC000453292278 317176964 /nfs/dbraw/zinc/17/69/64/317176964.db2.gz NIWJSRUCJWWECU-YUELXQCFSA-N 2 1 309.841 2.706 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000453405230 317183902 /nfs/dbraw/zinc/18/39/02/317183902.db2.gz QCSXUJUCPDYCIB-ZDUSSCGKSA-N 2 1 317.433 2.543 20 0 DFADMP COc1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)c(C)c1OC ZINC000453596606 317192500 /nfs/dbraw/zinc/19/25/00/317192500.db2.gz LYODNRNGHKVHJN-UHFFFAOYSA-N 2 1 306.450 2.976 20 0 DFADMP COCc1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)no1 ZINC000459336108 317320846 /nfs/dbraw/zinc/32/08/46/317320846.db2.gz HVVGSXYYEDVDSI-UHFFFAOYSA-N 2 1 321.465 2.909 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]C1(c2ccc(Cl)cc2)CCOCC1 ZINC000459367494 317322851 /nfs/dbraw/zinc/32/28/51/317322851.db2.gz MFSKBMYPRXNEOL-UHFFFAOYSA-N 2 1 319.836 2.912 20 0 DFADMP CC(C)C1CC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488442575 317393183 /nfs/dbraw/zinc/39/31/83/317393183.db2.gz UCLNHIUMCPLELT-ACBHZAAOSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)C1CC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488442575 317393186 /nfs/dbraw/zinc/39/31/86/317393186.db2.gz UCLNHIUMCPLELT-ACBHZAAOSA-N 2 1 302.462 2.648 20 0 DFADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000565530825 317924136 /nfs/dbraw/zinc/92/41/36/317924136.db2.gz TVMXBAOZANQQFO-YOEHRIQHSA-N 2 1 321.490 2.739 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000572777982 318003004 /nfs/dbraw/zinc/00/30/04/318003004.db2.gz WKTIXRVPIFEYPW-LJQANCHMSA-N 2 1 313.445 2.725 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000572777982 318003007 /nfs/dbraw/zinc/00/30/07/318003007.db2.gz WKTIXRVPIFEYPW-LJQANCHMSA-N 2 1 313.445 2.725 20 0 DFADMP Cc1c(C)c(C)c(C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(C)c1C ZINC000574511975 318022759 /nfs/dbraw/zinc/02/27/59/318022759.db2.gz CTYDGOSSVIWTJA-GOSISDBHSA-N 2 1 304.478 2.773 20 0 DFADMP Cc1c(C)c(C)c(C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(C)c1C ZINC000574511975 318022761 /nfs/dbraw/zinc/02/27/61/318022761.db2.gz CTYDGOSSVIWTJA-GOSISDBHSA-N 2 1 304.478 2.773 20 0 DFADMP CC[NH2+]CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000574629751 318028867 /nfs/dbraw/zinc/02/88/67/318028867.db2.gz QZNMPCJDMIAVMY-HSALFYBXSA-N 3 1 315.505 2.876 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000574629751 318028870 /nfs/dbraw/zinc/02/88/70/318028870.db2.gz QZNMPCJDMIAVMY-HSALFYBXSA-N 3 1 315.505 2.876 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000574629751 318028872 /nfs/dbraw/zinc/02/88/72/318028872.db2.gz QZNMPCJDMIAVMY-HSALFYBXSA-N 3 1 315.505 2.876 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000574636409 318029912 /nfs/dbraw/zinc/02/99/12/318029912.db2.gz MOVOOGOKEFQCBX-HALDLXJZSA-N 2 1 318.465 2.608 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000574652204 318031908 /nfs/dbraw/zinc/03/19/08/318031908.db2.gz VILKREQNDYTOLW-GHMZBOCLSA-N 2 1 318.339 2.953 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@H](COC)Cc1ccccc1 ZINC000574766846 318039201 /nfs/dbraw/zinc/03/92/01/318039201.db2.gz TWYNRLXSHWEYMH-IBGZPJMESA-N 2 1 315.461 2.932 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@H](COC)Cc1ccccc1 ZINC000574766846 318039203 /nfs/dbraw/zinc/03/92/03/318039203.db2.gz TWYNRLXSHWEYMH-IBGZPJMESA-N 2 1 315.461 2.932 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000575755536 318081442 /nfs/dbraw/zinc/08/14/42/318081442.db2.gz SHLAQFBUVHXMOB-IBGZPJMESA-N 2 1 324.472 2.928 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000576030480 318099195 /nfs/dbraw/zinc/09/91/95/318099195.db2.gz YIQZPNYMZZNBML-WMZOPIPTSA-N 2 1 324.896 2.811 20 0 DFADMP Cc1ncc(CNCC2([N@H+](C)Cc3ccccc3)CCC2)n1C ZINC000577076770 318170471 /nfs/dbraw/zinc/17/04/71/318170471.db2.gz DMGBMKDJOKAJJV-UHFFFAOYSA-N 2 1 312.461 2.873 20 0 DFADMP Cc1ncc(CNCC2([N@@H+](C)Cc3ccccc3)CCC2)n1C ZINC000577076770 318170473 /nfs/dbraw/zinc/17/04/73/318170473.db2.gz DMGBMKDJOKAJJV-UHFFFAOYSA-N 2 1 312.461 2.873 20 0 DFADMP CCc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000577363132 318187930 /nfs/dbraw/zinc/18/79/30/318187930.db2.gz YJHOKZXJVGGLBJ-LZQZEXGQSA-N 2 1 303.494 2.829 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000577509345 318198031 /nfs/dbraw/zinc/19/80/31/318198031.db2.gz WDQVHNGUXUUOFG-RVKKMQEKSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577869540 318223352 /nfs/dbraw/zinc/22/33/52/318223352.db2.gz OVJBCBNIITZJHC-FUHWJXTLSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCCN1Cc1ccccc1 ZINC000577873242 318223735 /nfs/dbraw/zinc/22/37/35/318223735.db2.gz UTKBFSPLTBOTIJ-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@@H](NC[C@H]2CCC[NH+](C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000577873242 318223740 /nfs/dbraw/zinc/22/37/40/318223740.db2.gz UTKBFSPLTBOTIJ-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@@H](NC[C@H]2CCC[N@H+](C)C2)CCC[NH+]1Cc1ccccc1 ZINC000577873242 318223742 /nfs/dbraw/zinc/22/37/42/318223742.db2.gz UTKBFSPLTBOTIJ-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@@H](NC[C@H]2CCC[N@@H+](C)C2)CCC[NH+]1Cc1ccccc1 ZINC000577873242 318223745 /nfs/dbraw/zinc/22/37/45/318223745.db2.gz UTKBFSPLTBOTIJ-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000577949964 318227946 /nfs/dbraw/zinc/22/79/46/318227946.db2.gz MMDLQOAOYOFDSY-PFWMLDTASA-N 2 1 303.450 2.910 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578193409 318244192 /nfs/dbraw/zinc/24/41/92/318244192.db2.gz WGKIDJVVOPGDAT-QRVBRYPASA-N 2 1 314.473 2.934 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578193409 318244193 /nfs/dbraw/zinc/24/41/93/318244193.db2.gz WGKIDJVVOPGDAT-QRVBRYPASA-N 2 1 314.473 2.934 20 0 DFADMP CC[C@@H](CNCc1nc(C)c(C)[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000578643866 318275489 /nfs/dbraw/zinc/27/54/89/318275489.db2.gz FJSAQLJZYIJUHP-SFHVURJKSA-N 2 1 312.461 2.953 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000578663680 318276949 /nfs/dbraw/zinc/27/69/49/318276949.db2.gz JHRHFVJVGHDDMN-BXUZGUMPSA-N 2 1 320.824 2.744 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000578783798 318285214 /nfs/dbraw/zinc/28/52/14/318285214.db2.gz MIOGMWMLBOKUHG-YJBOKZPZSA-N 2 1 315.461 2.624 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000578783798 318285218 /nfs/dbraw/zinc/28/52/18/318285218.db2.gz MIOGMWMLBOKUHG-YJBOKZPZSA-N 2 1 315.461 2.624 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000578780820 318285463 /nfs/dbraw/zinc/28/54/63/318285463.db2.gz LYCKNYOJOHGAKV-INIZCTEOSA-N 2 1 315.461 2.953 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000579192900 318312754 /nfs/dbraw/zinc/31/27/54/318312754.db2.gz CZTDPRCQRYTOGE-IEBWSBKVSA-N 2 1 320.477 2.925 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000579192900 318312755 /nfs/dbraw/zinc/31/27/55/318312755.db2.gz CZTDPRCQRYTOGE-IEBWSBKVSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000579192900 318312757 /nfs/dbraw/zinc/31/27/57/318312757.db2.gz CZTDPRCQRYTOGE-IEBWSBKVSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000579192900 318312759 /nfs/dbraw/zinc/31/27/59/318312759.db2.gz CZTDPRCQRYTOGE-IEBWSBKVSA-N 2 1 320.477 2.925 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000579192901 318312780 /nfs/dbraw/zinc/31/27/80/318312780.db2.gz CZTDPRCQRYTOGE-MJGOQNOKSA-N 2 1 320.477 2.925 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000579192901 318312782 /nfs/dbraw/zinc/31/27/82/318312782.db2.gz CZTDPRCQRYTOGE-MJGOQNOKSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000579192901 318312784 /nfs/dbraw/zinc/31/27/84/318312784.db2.gz CZTDPRCQRYTOGE-MJGOQNOKSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccc(OC)cc1 ZINC000579192901 318312785 /nfs/dbraw/zinc/31/27/85/318312785.db2.gz CZTDPRCQRYTOGE-MJGOQNOKSA-N 2 1 320.477 2.925 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1 ZINC000579554084 318337568 /nfs/dbraw/zinc/33/75/68/318337568.db2.gz IAGVAAVVBHASPQ-HGKCTWBKSA-N 2 1 318.461 2.564 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000579733021 318351764 /nfs/dbraw/zinc/35/17/64/318351764.db2.gz HELZCHWWDZAYBD-QZTJIDSGSA-N 2 1 300.446 2.676 20 0 DFADMP Cc1c[nH+]ccc1NCc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000192757913 323247504 /nfs/dbraw/zinc/24/75/04/323247504.db2.gz FDSWLRWRBIRYBE-SFHVURJKSA-N 2 1 311.429 2.959 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379637923 323291153 /nfs/dbraw/zinc/29/11/53/323291153.db2.gz TUDAUJFPICWEHO-QFBILLFUSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379637923 323291158 /nfs/dbraw/zinc/29/11/58/323291158.db2.gz TUDAUJFPICWEHO-QFBILLFUSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000382696733 323301089 /nfs/dbraw/zinc/30/10/89/323301089.db2.gz KGISQUZQDZSYOR-GOSISDBHSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382736917 323302244 /nfs/dbraw/zinc/30/22/44/323302244.db2.gz JGGCDXSMXHREOP-MSOLQXFVSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1CC[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382736920 323302351 /nfs/dbraw/zinc/30/23/51/323302351.db2.gz JGGCDXSMXHREOP-ROUUACIJSA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](Cc1ccccc1)C1CC1 ZINC000383595007 323304721 /nfs/dbraw/zinc/30/47/21/323304721.db2.gz SOXZZQKEMUWQNU-PMACEKPBSA-N 2 1 310.441 2.582 20 0 DFADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000387678991 323327641 /nfs/dbraw/zinc/32/76/41/323327641.db2.gz RTHCJJZURKMOPG-RRFJBIMHSA-N 2 1 313.486 2.704 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000580708746 323423920 /nfs/dbraw/zinc/42/39/20/323423920.db2.gz VREDANNIENXSDW-CYBMUJFWSA-N 2 1 321.856 2.959 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCOCc1ccccc1 ZINC000584537765 337358913 /nfs/dbraw/zinc/35/89/13/337358913.db2.gz UWEVSSBZFMHUAS-UHFFFAOYSA-N 2 1 301.434 2.891 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCOCc1ccccc1 ZINC000584537765 337358914 /nfs/dbraw/zinc/35/89/14/337358914.db2.gz UWEVSSBZFMHUAS-UHFFFAOYSA-N 2 1 301.434 2.891 20 0 DFADMP C[C@H](CCCCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295019893 533857441 /nfs/dbraw/zinc/85/74/41/533857441.db2.gz KNKAYKQDNLTACN-MRXNPFEDSA-N 2 1 322.468 2.973 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297564632 534204100 /nfs/dbraw/zinc/20/41/00/534204100.db2.gz HKJBJILOQUXLKY-OAHLLOKOSA-N 2 1 318.461 2.927 20 0 DFADMP CC[C@@H](O)C[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000127605995 517777378 /nfs/dbraw/zinc/77/73/78/517777378.db2.gz QJINAAZGAQZJDI-GOSISDBHSA-N 2 1 301.434 2.855 20 0 DFADMP CC[C@@H](O)C[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000127605995 517777387 /nfs/dbraw/zinc/77/73/87/517777387.db2.gz QJINAAZGAQZJDI-GOSISDBHSA-N 2 1 301.434 2.855 20 0 DFADMP c1cc(N2CCC(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)cc[nH+]1 ZINC000297605359 534469672 /nfs/dbraw/zinc/46/96/72/534469672.db2.gz KHSGBROFKJUIOV-UHFFFAOYSA-N 3 1 314.477 2.514 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000323234438 534488365 /nfs/dbraw/zinc/48/83/65/534488365.db2.gz CPJRMQHEWSMTAM-WOJBJXKFSA-N 2 1 314.473 2.851 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000154594105 521070898 /nfs/dbraw/zinc/07/08/98/521070898.db2.gz KRFUZHZGUSBIKM-CXAGYDPISA-N 2 1 314.433 2.875 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366330345 521113511 /nfs/dbraw/zinc/11/35/11/521113511.db2.gz QTKUIVYYRNREFN-BPUTZDHNSA-N 2 1 323.868 2.576 20 0 DFADMP C[NH+](C)CCSC[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000368498642 521807137 /nfs/dbraw/zinc/80/71/37/521807137.db2.gz JLTODXLFQHQWOA-KRWDZBQOSA-N 2 1 308.491 2.572 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2ncc(-c3ccccc3)o2)CC1 ZINC000321483200 534617553 /nfs/dbraw/zinc/61/75/53/534617553.db2.gz GSXPTYWLRLFRRT-UHFFFAOYSA-N 2 1 315.417 2.671 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[N@@H+](CCO)C(C)(C)C2)c1C ZINC000302504137 534671107 /nfs/dbraw/zinc/67/11/07/534671107.db2.gz DMBAVEGNEPPKLK-UHFFFAOYSA-N 2 1 313.445 2.745 20 0 DFADMP CCc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000364981678 523793800 /nfs/dbraw/zinc/79/38/00/523793800.db2.gz KZBSTKPBDVPZLM-OAHLLOKOSA-N 2 1 313.445 2.690 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154834007 523816320 /nfs/dbraw/zinc/81/63/20/523816320.db2.gz ILBVYSWLCKEDLZ-OAHLLOKOSA-N 2 1 302.462 2.937 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000364778435 523819355 /nfs/dbraw/zinc/81/93/55/523819355.db2.gz LVAYJESQGWWLHV-GOSISDBHSA-N 2 1 302.462 2.843 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000364778437 523848905 /nfs/dbraw/zinc/84/89/05/523848905.db2.gz LVAYJESQGWWLHV-SFHVURJKSA-N 2 1 302.462 2.843 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000367602236 523978021 /nfs/dbraw/zinc/97/80/21/523978021.db2.gz SABDORVLASNCEE-OIISXLGYSA-N 2 1 306.425 2.839 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128385043 524239887 /nfs/dbraw/zinc/23/98/87/524239887.db2.gz SDXIKPYCYBQEQW-QGZVFWFLSA-N 2 1 321.484 2.764 20 0 DFADMP Cc1nccn1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310320782 534773992 /nfs/dbraw/zinc/77/39/92/534773992.db2.gz YPIAYMWLCUCSPL-PMACEKPBSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310320782 534773998 /nfs/dbraw/zinc/77/39/98/534773998.db2.gz YPIAYMWLCUCSPL-PMACEKPBSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310320782 534774004 /nfs/dbraw/zinc/77/40/04/534774004.db2.gz YPIAYMWLCUCSPL-PMACEKPBSA-N 2 1 324.472 2.645 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000364188876 524968576 /nfs/dbraw/zinc/96/85/76/524968576.db2.gz HNYNWVYEWWRYML-BVGQSLNGSA-N 2 1 322.424 2.510 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000364188876 524968588 /nfs/dbraw/zinc/96/85/88/524968588.db2.gz HNYNWVYEWWRYML-BVGQSLNGSA-N 2 1 322.424 2.510 20 0 DFADMP Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](C)CCO2)c2cc(F)ccc2[nH+]1 ZINC000154848751 525293511 /nfs/dbraw/zinc/29/35/11/525293511.db2.gz QNNJVPGHGIVMAQ-SJCJKPOMSA-N 2 1 303.381 2.813 20 0 DFADMP Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](C)CCO2)c2cc(F)ccc2[nH+]1 ZINC000154848751 525293523 /nfs/dbraw/zinc/29/35/23/525293523.db2.gz QNNJVPGHGIVMAQ-SJCJKPOMSA-N 2 1 303.381 2.813 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccccc1 ZINC000298234673 527804335 /nfs/dbraw/zinc/80/43/35/527804335.db2.gz BRFSWTHRUPHBHC-KRWDZBQOSA-N 2 1 315.417 2.635 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCO[C@H]21 ZINC000309654293 527869554 /nfs/dbraw/zinc/86/95/54/527869554.db2.gz BBKUNBMCHOLJCA-WJFTUGDTSA-N 2 1 314.473 2.912 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)C[C@@H]3C)c2C1 ZINC000362716737 534999605 /nfs/dbraw/zinc/99/96/05/534999605.db2.gz NXTWNWZLFHOUHM-ZFWWWQNUSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)C[C@@H]3C)c2C1 ZINC000362716737 534999610 /nfs/dbraw/zinc/99/96/10/534999610.db2.gz NXTWNWZLFHOUHM-ZFWWWQNUSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)c2C1 ZINC000362716737 534999615 /nfs/dbraw/zinc/99/96/15/534999615.db2.gz NXTWNWZLFHOUHM-ZFWWWQNUSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)c2C1 ZINC000362716737 534999620 /nfs/dbraw/zinc/99/96/20/534999620.db2.gz NXTWNWZLFHOUHM-ZFWWWQNUSA-N 2 1 301.434 2.548 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000246303494 535077906 /nfs/dbraw/zinc/07/79/06/535077906.db2.gz DGCWDIYOAZSEMM-RDJZCZTQSA-N 2 1 304.482 2.755 20 0 DFADMP CCC[NH+]1CCC(CNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000357820999 535352378 /nfs/dbraw/zinc/35/23/78/535352378.db2.gz GSGXDFFWTVDQOI-UHFFFAOYSA-N 2 1 320.481 2.635 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358103365 535361922 /nfs/dbraw/zinc/36/19/22/535361922.db2.gz KJWOVWUXCKOLKC-LZLYRXPVSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358103365 535361924 /nfs/dbraw/zinc/36/19/24/535361924.db2.gz KJWOVWUXCKOLKC-LZLYRXPVSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358103365 535361925 /nfs/dbraw/zinc/36/19/25/535361925.db2.gz KJWOVWUXCKOLKC-LZLYRXPVSA-N 2 1 321.509 2.630 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361527785 535508462 /nfs/dbraw/zinc/50/84/62/535508462.db2.gz SXNDEHUGSYKCEX-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361527785 535508465 /nfs/dbraw/zinc/50/84/65/535508465.db2.gz SXNDEHUGSYKCEX-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361527785 535508467 /nfs/dbraw/zinc/50/84/67/535508467.db2.gz SXNDEHUGSYKCEX-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCCC1(C)C ZINC000355282772 535594902 /nfs/dbraw/zinc/59/49/02/535594902.db2.gz SBGGVIBBEKEUBW-DLBZAZTESA-N 2 1 323.525 2.687 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCCC1(C)C ZINC000355282777 535595599 /nfs/dbraw/zinc/59/55/99/535595599.db2.gz SBGGVIBBEKEUBW-IRXDYDNUSA-N 2 1 323.525 2.687 20 0 DFADMP CCC[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354828420 535630198 /nfs/dbraw/zinc/63/01/98/535630198.db2.gz BIPPOCJIOLWEGV-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261736426 535772601 /nfs/dbraw/zinc/77/26/01/535772601.db2.gz HVKNYNMYGOICDP-VQTJNVASSA-N 2 1 315.505 2.830 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000236938938 535819688 /nfs/dbraw/zinc/81/96/88/535819688.db2.gz RFCSKJMOFFVCGJ-CRAIPNDOSA-N 2 1 309.498 2.535 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248883697 535857724 /nfs/dbraw/zinc/85/77/24/535857724.db2.gz LLWNBZCXWRGDKF-OKYOBFRVSA-N 2 1 302.462 2.933 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2nccn2-c2ccccc2)CC1 ZINC000361604947 536349028 /nfs/dbraw/zinc/34/90/28/536349028.db2.gz UQUPWYKEIFXXAR-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2nccn2-c2ccccc2)CC1 ZINC000361604947 536349031 /nfs/dbraw/zinc/34/90/31/536349031.db2.gz UQUPWYKEIFXXAR-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000261764530 536748565 /nfs/dbraw/zinc/74/85/65/536748565.db2.gz DHRCNHDSRNMUOL-ZDUSSCGKSA-N 2 1 324.490 2.857 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000261764530 536748573 /nfs/dbraw/zinc/74/85/73/536748573.db2.gz DHRCNHDSRNMUOL-ZDUSSCGKSA-N 2 1 324.490 2.857 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2ccncc2)cc1 ZINC000680477682 545500485 /nfs/dbraw/zinc/50/04/85/545500485.db2.gz ZBBLHWAXHJDGGJ-UHFFFAOYSA-N 2 1 313.445 2.697 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000680932750 545565992 /nfs/dbraw/zinc/56/59/92/545565992.db2.gz OEEMLZWPXDJILT-ABAIWWIYSA-N 2 1 320.387 2.785 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000680932750 545565994 /nfs/dbraw/zinc/56/59/94/545565994.db2.gz OEEMLZWPXDJILT-ABAIWWIYSA-N 2 1 320.387 2.785 20 0 DFADMP C[N@@H+](Cc1cnc(C2CC2)s1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914814 545751245 /nfs/dbraw/zinc/75/12/45/545751245.db2.gz OBZSKPIFJKZPLW-GFCCVEGCSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@H+](Cc1cnc(C2CC2)s1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914814 545751251 /nfs/dbraw/zinc/75/12/51/545751251.db2.gz OBZSKPIFJKZPLW-GFCCVEGCSA-N 2 1 302.447 2.911 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000682073661 545789419 /nfs/dbraw/zinc/78/94/19/545789419.db2.gz VRAHBIDAEGEJBS-HNAYVOBHSA-N 2 1 302.462 2.699 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(O)cc2)CC1 ZINC000682404441 545841440 /nfs/dbraw/zinc/84/14/40/545841440.db2.gz GKXZNUYFDULCGI-UHFFFAOYSA-N 2 1 320.477 2.963 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000682913733 545940358 /nfs/dbraw/zinc/94/03/58/545940358.db2.gz FHMWTEFKVNHTCP-KWCYVHTRSA-N 2 1 308.388 2.542 20 0 DFADMP CC(C)(CNc1nc(N2CCCC2)cc[nH+]1)C[NH+]1CCCC1 ZINC000682926927 545942145 /nfs/dbraw/zinc/94/21/45/545942145.db2.gz ZUGPZAMHBCGWJZ-UHFFFAOYSA-N 2 1 303.454 2.611 20 0 DFADMP C[C@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000683371527 546020218 /nfs/dbraw/zinc/02/02/18/546020218.db2.gz IMQIRAPFEMXCPS-WMZOPIPTSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000683371527 546020223 /nfs/dbraw/zinc/02/02/23/546020223.db2.gz IMQIRAPFEMXCPS-WMZOPIPTSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H]1CC2(CCC2)C[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000683371527 546020229 /nfs/dbraw/zinc/02/02/29/546020229.db2.gz IMQIRAPFEMXCPS-WMZOPIPTSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H]1CC2(CCC2)C[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000683371527 546020232 /nfs/dbraw/zinc/02/02/32/546020232.db2.gz IMQIRAPFEMXCPS-WMZOPIPTSA-N 2 1 302.462 2.744 20 0 DFADMP Fc1ccc2nc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)sc2c1 ZINC000683470626 546038955 /nfs/dbraw/zinc/03/89/55/546038955.db2.gz GIJVOCZVJDJMNS-LLVKDONJSA-N 2 1 316.405 2.984 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1nc3c(s1)CCCC3)CC2 ZINC000683470685 546039393 /nfs/dbraw/zinc/03/93/93/546039393.db2.gz IYSJAIBKSFBKEJ-GFCCVEGCSA-N 2 1 302.447 2.571 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cnc(C3CCC3)s1)CC2 ZINC000683471960 546039485 /nfs/dbraw/zinc/03/94/85/546039485.db2.gz BAHZFRVEIFQTST-LBPRGKRZSA-N 2 1 302.447 2.959 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000683473425 546040053 /nfs/dbraw/zinc/04/00/53/546040053.db2.gz UPLWHWRYCKLTEY-OAHLLOKOSA-N 2 1 319.412 2.692 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000683719760 546081520 /nfs/dbraw/zinc/08/15/20/546081520.db2.gz ACEAWSFCAWGHNU-RBUKOAKNSA-N 2 1 324.472 2.700 20 0 DFADMP C[C@@H](O)C[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684149278 546158940 /nfs/dbraw/zinc/15/89/40/546158940.db2.gz WPZAFDGKTZWLBY-SJLPKXTDSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684377892 546205129 /nfs/dbraw/zinc/20/51/29/546205129.db2.gz XKKVGTFCUPWONB-ZIAGYGMSSA-N 2 1 310.869 2.878 20 0 DFADMP CCc1cccc(F)c1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000684535107 546238548 /nfs/dbraw/zinc/23/85/48/546238548.db2.gz IDKSAUAZWMZQLM-UHFFFAOYSA-N 2 1 307.457 2.505 20 0 DFADMP CC[N@@H+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)C[C@H]1C ZINC000684580106 546246947 /nfs/dbraw/zinc/24/69/47/546246947.db2.gz VJHLDFUFKDAWCH-GFCCVEGCSA-N 2 1 303.381 2.913 20 0 DFADMP CC[N@H+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)C[C@H]1C ZINC000684580106 546246951 /nfs/dbraw/zinc/24/69/51/546246951.db2.gz VJHLDFUFKDAWCH-GFCCVEGCSA-N 2 1 303.381 2.913 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)CC2 ZINC000684929050 546303892 /nfs/dbraw/zinc/30/38/92/546303892.db2.gz LZLRQLGNINVXHW-YYIAUSFCSA-N 2 1 303.450 2.630 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)CC2 ZINC000684929045 546304118 /nfs/dbraw/zinc/30/41/18/546304118.db2.gz LZLRQLGNINVXHW-QBPKDAKJSA-N 2 1 303.450 2.630 20 0 DFADMP C[C@@H](CO)[N@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC1CCC1 ZINC000685431600 546348534 /nfs/dbraw/zinc/34/85/34/546348534.db2.gz YMXIMPZMZVMZDQ-INIZCTEOSA-N 2 1 320.477 2.610 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cn(C)nc1CC ZINC000685462801 546355064 /nfs/dbraw/zinc/35/50/64/546355064.db2.gz HSYIQXDMCVYDNH-UHFFFAOYSA-N 2 1 303.454 2.654 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cn(C)nc1CC ZINC000685462801 546355066 /nfs/dbraw/zinc/35/50/66/546355066.db2.gz HSYIQXDMCVYDNH-UHFFFAOYSA-N 2 1 303.454 2.654 20 0 DFADMP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577746 546369765 /nfs/dbraw/zinc/36/97/65/546369765.db2.gz FVWMOZBPYTYBTJ-HOTGVXAUSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577746 546369767 /nfs/dbraw/zinc/36/97/67/546369767.db2.gz FVWMOZBPYTYBTJ-HOTGVXAUSA-N 2 1 303.450 2.869 20 0 DFADMP Oc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc(C(F)(F)F)c1 ZINC000685614440 546375640 /nfs/dbraw/zinc/37/56/40/546375640.db2.gz RRCSIQKNWGRIFL-LBPRGKRZSA-N 2 1 311.307 2.712 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000278347375 214106198 /nfs/dbraw/zinc/10/61/98/214106198.db2.gz YQNAZGFCFIQUAM-ZDUSSCGKSA-N 2 1 316.401 2.979 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000278579777 214252244 /nfs/dbraw/zinc/25/22/44/214252244.db2.gz PZFBSIINQYHCJC-BEFAXECRSA-N 2 1 318.461 2.773 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000278579777 214252245 /nfs/dbraw/zinc/25/22/45/214252245.db2.gz PZFBSIINQYHCJC-BEFAXECRSA-N 2 1 318.461 2.773 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278626204 214284131 /nfs/dbraw/zinc/28/41/31/214284131.db2.gz RRYVIAYAOJREAW-CVEARBPZSA-N 2 1 306.450 2.847 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)cc1 ZINC000305143402 230966914 /nfs/dbraw/zinc/96/69/14/230966914.db2.gz RABKDHQPQBUIEJ-FQEVSTJZSA-N 2 1 318.505 2.999 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000332650236 529405886 /nfs/dbraw/zinc/40/58/86/529405886.db2.gz NGOFPXYCHLEKDH-IAGOWNOFSA-N 2 1 316.449 2.544 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000315340160 231139882 /nfs/dbraw/zinc/13/98/82/231139882.db2.gz FQDLBMXAYHBWNU-QWHCGFSZSA-N 2 1 320.462 2.790 20 0 DFADMP [NH3+]CCCN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000314592988 231131592 /nfs/dbraw/zinc/13/15/92/231131592.db2.gz HFOVQRPXIALXIU-UHFFFAOYSA-N 2 1 315.383 2.562 20 0 DFADMP [NH3+]CCC[N@@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000314592988 231131596 /nfs/dbraw/zinc/13/15/96/231131596.db2.gz HFOVQRPXIALXIU-UHFFFAOYSA-N 2 1 315.383 2.562 20 0 DFADMP [NH3+]CCC[N@H+]1CCCN(Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000314592988 231131599 /nfs/dbraw/zinc/13/15/99/231131599.db2.gz HFOVQRPXIALXIU-UHFFFAOYSA-N 2 1 315.383 2.562 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000278755221 214378114 /nfs/dbraw/zinc/37/81/14/214378114.db2.gz NMKYKKVSKOKHMT-CQSZACIVSA-N 2 1 303.381 2.773 20 0 DFADMP C[C@H](C[NH2+]Cc1cnc(C(C)(C)C)nc1)C[NH+]1CCCCC1 ZINC000319316311 231181834 /nfs/dbraw/zinc/18/18/34/231181834.db2.gz IEIPLCHSHNPMIJ-OAHLLOKOSA-N 2 1 304.482 2.986 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC(F)F ZINC000319342523 231183134 /nfs/dbraw/zinc/18/31/34/231183134.db2.gz CULIGZZYDJGQAK-WCQYABFASA-N 2 1 314.376 2.726 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905788 398348509 /nfs/dbraw/zinc/34/85/09/398348509.db2.gz KKJIHAPIHMBZLZ-DLBZAZTESA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905788 398348510 /nfs/dbraw/zinc/34/85/10/398348510.db2.gz KKJIHAPIHMBZLZ-DLBZAZTESA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905788 398348512 /nfs/dbraw/zinc/34/85/12/398348512.db2.gz KKJIHAPIHMBZLZ-DLBZAZTESA-N 2 1 318.465 2.620 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000591904817 398348641 /nfs/dbraw/zinc/34/86/41/398348641.db2.gz AUWODOSNRSXXRO-YQQAZPJKSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000591904817 398348643 /nfs/dbraw/zinc/34/86/43/398348643.db2.gz AUWODOSNRSXXRO-YQQAZPJKSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2[C@@H](C)CCC[C@@H]2C)C1 ZINC000591904817 398348646 /nfs/dbraw/zinc/34/86/46/398348646.db2.gz AUWODOSNRSXXRO-YQQAZPJKSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000591906360 398349232 /nfs/dbraw/zinc/34/92/32/398349232.db2.gz LKIWUFPRYOIGLB-RDJZCZTQSA-N 2 1 320.481 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000591906360 398349234 /nfs/dbraw/zinc/34/92/34/398349234.db2.gz LKIWUFPRYOIGLB-RDJZCZTQSA-N 2 1 320.481 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000591906360 398349237 /nfs/dbraw/zinc/34/92/37/398349237.db2.gz LKIWUFPRYOIGLB-RDJZCZTQSA-N 2 1 320.481 2.721 20 0 DFADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591906976 398350318 /nfs/dbraw/zinc/35/03/18/398350318.db2.gz WUWIEXJWQWUUEW-GOEBONIOSA-N 2 1 306.454 2.523 20 0 DFADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591906976 398350319 /nfs/dbraw/zinc/35/03/19/398350319.db2.gz WUWIEXJWQWUUEW-GOEBONIOSA-N 2 1 306.454 2.523 20 0 DFADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591906976 398350320 /nfs/dbraw/zinc/35/03/20/398350320.db2.gz WUWIEXJWQWUUEW-GOEBONIOSA-N 2 1 306.454 2.523 20 0 DFADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365307630 282186437 /nfs/dbraw/zinc/18/64/37/282186437.db2.gz JGUVIISWFRUPQV-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459349360 299085297 /nfs/dbraw/zinc/08/52/97/299085297.db2.gz ZRDYEONVHXUSMA-FQEVSTJZSA-N 2 1 313.489 2.776 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000365849185 282204737 /nfs/dbraw/zinc/20/47/37/282204737.db2.gz SNYNWCMXJJTWPW-RCCFBDPRSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000365849185 282204740 /nfs/dbraw/zinc/20/47/40/282204740.db2.gz SNYNWCMXJJTWPW-RCCFBDPRSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1OCCc2sccc21 ZINC000292420508 282206285 /nfs/dbraw/zinc/20/62/85/282206285.db2.gz MSMRDQMMQFZJJJ-MLGOLLRUSA-N 2 1 305.447 2.935 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459385914 299093574 /nfs/dbraw/zinc/09/35/74/299093574.db2.gz ZMHQTHRNGYEWBB-UHFFFAOYSA-N 2 1 304.425 2.591 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459385914 299093578 /nfs/dbraw/zinc/09/35/78/299093578.db2.gz ZMHQTHRNGYEWBB-UHFFFAOYSA-N 2 1 304.425 2.591 20 0 DFADMP Cn1cc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000092821173 185343989 /nfs/dbraw/zinc/34/39/89/185343989.db2.gz QILHHRKKQKTKQH-UHFFFAOYSA-N 2 1 313.449 2.554 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000272820076 210218180 /nfs/dbraw/zinc/21/81/80/210218180.db2.gz UTSLMJGCKSAPTR-KKXDTOCCSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000272820076 210218186 /nfs/dbraw/zinc/21/81/86/210218186.db2.gz UTSLMJGCKSAPTR-KKXDTOCCSA-N 2 1 301.434 2.922 20 0 DFADMP C[NH+](CCC[N@@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000181493069 199305812 /nfs/dbraw/zinc/30/58/12/199305812.db2.gz PBMPMUHOIQELGI-UHFFFAOYSA-N 2 1 312.461 2.516 20 0 DFADMP C[NH+](CCC[N@H+](C)CCc1ccncc1)CCc1ccncc1 ZINC000181493069 199305814 /nfs/dbraw/zinc/30/58/14/199305814.db2.gz PBMPMUHOIQELGI-UHFFFAOYSA-N 2 1 312.461 2.516 20 0 DFADMP C[C@H](NCCc1cncn1C)c1nc(-c2cccc(F)c2)no1 ZINC000459412857 299099999 /nfs/dbraw/zinc/09/99/99/299099999.db2.gz WAIZEQQTPOZFQQ-NSHDSACASA-N 2 1 315.352 2.503 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293104988 529799957 /nfs/dbraw/zinc/79/99/57/529799957.db2.gz YAPFVGJSIMRZSS-UHFFFAOYSA-N 2 1 324.350 2.894 20 0 DFADMP Fc1ccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c(F)c1 ZINC000084861719 398410810 /nfs/dbraw/zinc/41/08/10/398410810.db2.gz PAWCGHTUQXOARR-UHFFFAOYSA-N 2 1 324.415 2.899 20 0 DFADMP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000592403881 398422946 /nfs/dbraw/zinc/42/29/46/398422946.db2.gz OUPHIWDYAZYYSG-HIFRSBDPSA-N 2 1 308.466 2.713 20 0 DFADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089147462 398444096 /nfs/dbraw/zinc/44/40/96/398444096.db2.gz MIRDBVMOOQWXNO-HNNXBMFYSA-N 2 1 313.486 2.563 20 0 DFADMP COc1ccc([C@H]([NH2+]C2CC[NH+](C)CC2)C2CCOCC2)cc1 ZINC000090970614 398499316 /nfs/dbraw/zinc/49/93/16/398499316.db2.gz BAMXYQFWFXQPHN-IBGZPJMESA-N 2 1 318.461 2.847 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000091334624 398526455 /nfs/dbraw/zinc/52/64/55/398526455.db2.gz DXBHWTRRPVRRIS-LSDHHAIUSA-N 2 1 318.383 2.915 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[NH+]2CCCCCC2)cn1 ZINC000414128307 295770195 /nfs/dbraw/zinc/77/01/95/295770195.db2.gz GWRHEEDALXIHJX-HZPDHXFCSA-N 2 1 305.466 2.875 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000272613672 210013993 /nfs/dbraw/zinc/01/39/93/210013993.db2.gz WVXUBUPGNUDSHS-XUVXKRRUSA-N 2 1 324.472 2.903 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(C(C)(C)O)C1 ZINC000459616931 299148871 /nfs/dbraw/zinc/14/88/71/299148871.db2.gz ZRPOMFPUZYHZIR-UHFFFAOYSA-N 2 1 304.478 2.847 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272612500 210011073 /nfs/dbraw/zinc/01/10/73/210011073.db2.gz WOBKMHWOVIVDIS-LTFPLMDUSA-N 2 1 314.473 2.790 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC(C(C)(C)O)C1 ZINC000459616931 299148875 /nfs/dbraw/zinc/14/88/75/299148875.db2.gz ZRPOMFPUZYHZIR-UHFFFAOYSA-N 2 1 304.478 2.847 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000597049815 398555741 /nfs/dbraw/zinc/55/57/41/398555741.db2.gz YDLROVDTWVEDQK-UHFFFAOYSA-N 2 1 322.424 2.966 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1F ZINC000597050587 398555918 /nfs/dbraw/zinc/55/59/18/398555918.db2.gz WZSBROXGRZNWTA-CQSZACIVSA-N 2 1 322.424 2.824 20 0 DFADMP COC(=O)c1oc(CNC[C@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC000597055637 398556590 /nfs/dbraw/zinc/55/65/90/398556590.db2.gz MFXDKIBFUJMFBR-CQSZACIVSA-N 2 1 308.422 2.585 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000597059052 398558031 /nfs/dbraw/zinc/55/80/31/398558031.db2.gz PLHVHUAKHYJZEC-ZDUSSCGKSA-N 2 1 310.825 2.558 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000597059052 398558035 /nfs/dbraw/zinc/55/80/35/398558035.db2.gz PLHVHUAKHYJZEC-ZDUSSCGKSA-N 2 1 310.825 2.558 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc1F ZINC000597082230 398563213 /nfs/dbraw/zinc/56/32/13/398563213.db2.gz CPSFPEQKRMPIJX-UHFFFAOYSA-N 2 1 322.424 2.824 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1Cl ZINC000597132760 398572699 /nfs/dbraw/zinc/57/26/99/398572699.db2.gz LPBORATXCLVJQA-LRDDRELGSA-N 2 1 324.852 2.899 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cc1Cl ZINC000597132760 398572700 /nfs/dbraw/zinc/57/27/00/398572700.db2.gz LPBORATXCLVJQA-LRDDRELGSA-N 2 1 324.852 2.899 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1Cl ZINC000597132759 398572717 /nfs/dbraw/zinc/57/27/17/398572717.db2.gz LPBORATXCLVJQA-BLLLJJGKSA-N 2 1 324.852 2.899 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1Cl ZINC000597132759 398572718 /nfs/dbraw/zinc/57/27/18/398572718.db2.gz LPBORATXCLVJQA-BLLLJJGKSA-N 2 1 324.852 2.899 20 0 DFADMP Cc1ncc(CN2C[C@H](C)C[C@@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597154910 398577699 /nfs/dbraw/zinc/57/76/99/398577699.db2.gz SMCBGQDSRGWLAJ-TZMCWYRMSA-N 2 1 307.438 2.528 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360985363 535086764 /nfs/dbraw/zinc/08/67/64/535086764.db2.gz VJYOXXRWFGMGII-CYBMUJFWSA-N 2 1 314.424 2.815 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360985363 535086761 /nfs/dbraw/zinc/08/67/61/535086761.db2.gz VJYOXXRWFGMGII-CYBMUJFWSA-N 2 1 314.424 2.815 20 0 DFADMP CCOc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000069754007 398582999 /nfs/dbraw/zinc/58/29/99/398582999.db2.gz GGLDNLNWWDVCTF-UHFFFAOYSA-N 2 1 303.406 2.779 20 0 DFADMP Cc1ccccc1-c1noc(C[NH+]2CCC(C[NH+](C)C)CC2)n1 ZINC000590125595 398598303 /nfs/dbraw/zinc/59/83/03/398598303.db2.gz BJSYFYHLDBPZJC-UHFFFAOYSA-N 2 1 314.433 2.819 20 0 DFADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000597243727 398604826 /nfs/dbraw/zinc/60/48/26/398604826.db2.gz VPGWYAIFJYOVPR-NRSFXHEJSA-N 2 1 316.445 2.581 20 0 DFADMP COC(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000597243727 398604829 /nfs/dbraw/zinc/60/48/29/398604829.db2.gz VPGWYAIFJYOVPR-NRSFXHEJSA-N 2 1 316.445 2.581 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)CCCO)CC2)cc1C ZINC000093394571 398635564 /nfs/dbraw/zinc/63/55/64/398635564.db2.gz FOZQKXBNLWUCBI-UHFFFAOYSA-N 2 1 304.478 2.890 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1C ZINC000093394571 398635567 /nfs/dbraw/zinc/63/55/67/398635567.db2.gz FOZQKXBNLWUCBI-UHFFFAOYSA-N 2 1 304.478 2.890 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1C1CCC1 ZINC000590622486 398641064 /nfs/dbraw/zinc/64/10/64/398641064.db2.gz FEOYMSTXMQCWLJ-MOPGFXCFSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@H]1C1CCC1 ZINC000590622486 398641067 /nfs/dbraw/zinc/64/10/67/398641067.db2.gz FEOYMSTXMQCWLJ-MOPGFXCFSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000590622486 398641071 /nfs/dbraw/zinc/64/10/71/398641071.db2.gz FEOYMSTXMQCWLJ-MOPGFXCFSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000590622486 398641076 /nfs/dbraw/zinc/64/10/76/398641076.db2.gz FEOYMSTXMQCWLJ-MOPGFXCFSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000044533497 398646827 /nfs/dbraw/zinc/64/68/27/398646827.db2.gz DROGKLQUCJDDJI-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000044533497 398646830 /nfs/dbraw/zinc/64/68/30/398646830.db2.gz DROGKLQUCJDDJI-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000280038613 215329730 /nfs/dbraw/zinc/32/97/30/215329730.db2.gz VDVOPENABYCTSU-UHFFFAOYSA-N 2 1 313.380 2.696 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459720997 299172246 /nfs/dbraw/zinc/17/22/46/299172246.db2.gz AAWHISVXWCDNMJ-CVEARBPZSA-N 2 1 303.450 2.725 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000459722802 299172258 /nfs/dbraw/zinc/17/22/58/299172258.db2.gz BZXGBAUXYRTTGO-CYBMUJFWSA-N 2 1 306.841 2.809 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459725040 299173034 /nfs/dbraw/zinc/17/30/34/299173034.db2.gz FNRVPNAOSJOUDT-HUUCEWRRSA-N 2 1 321.440 2.864 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000268738060 186373034 /nfs/dbraw/zinc/37/30/34/186373034.db2.gz OQIOPPIWKHKWCX-HKUYNNGSSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000268738060 186373036 /nfs/dbraw/zinc/37/30/36/186373036.db2.gz OQIOPPIWKHKWCX-HKUYNNGSSA-N 2 1 312.461 2.773 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000268746041 186376297 /nfs/dbraw/zinc/37/62/97/186376297.db2.gz AUDLZCQITNIKSV-BHYGNILZSA-N 2 1 318.461 2.851 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000459731971 299175549 /nfs/dbraw/zinc/17/55/49/299175549.db2.gz LPGHZJAVELFHSM-INIZCTEOSA-N 2 1 302.466 2.503 20 0 DFADMP Cc1csc(N2CCC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000459732069 299175980 /nfs/dbraw/zinc/17/59/80/299175980.db2.gz MAFSNMNMODHNJR-HNNXBMFYSA-N 2 1 322.522 2.742 20 0 DFADMP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000459733742 299175644 /nfs/dbraw/zinc/17/56/44/299175644.db2.gz BSTMJJUBRGORSG-MOPGFXCFSA-N 2 1 320.452 2.990 20 0 DFADMP Brc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cs1 ZINC000414819129 295821710 /nfs/dbraw/zinc/82/17/10/295821710.db2.gz XWQFNOBBVKSHRT-ZACCUICWSA-N 2 1 301.253 2.883 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@H]2CCC[NH2+]C2)c1 ZINC000414829231 295823432 /nfs/dbraw/zinc/82/34/32/295823432.db2.gz NMWNGZHXWWCNIU-INIZCTEOSA-N 2 1 311.429 2.750 20 0 DFADMP Clc1ccc(-n2cc(C[NH2+]C[C@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414831077 295823552 /nfs/dbraw/zinc/82/35/52/295823552.db2.gz PJAJGZGLTCKDOO-ZDUSSCGKSA-N 2 1 304.825 2.615 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CCC1 ZINC000414886630 295830367 /nfs/dbraw/zinc/83/03/67/295830367.db2.gz YODGBSVETVPCJF-UHFFFAOYSA-N 2 1 306.303 2.738 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414919635 295835059 /nfs/dbraw/zinc/83/50/59/295835059.db2.gz VLKJTMTWQCTYSM-ZDUSSCGKSA-N 2 1 313.239 2.689 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000459762701 299185282 /nfs/dbraw/zinc/18/52/82/299185282.db2.gz UGTLGXQTLHPVOM-OAHLLOKOSA-N 2 1 316.449 2.601 20 0 DFADMP COc1ccc(Br)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414930848 295836631 /nfs/dbraw/zinc/83/66/31/295836631.db2.gz BDEWMMWAWDJSFM-UHFFFAOYSA-N 2 1 313.239 2.689 20 0 DFADMP CC1([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH2+]CC1 ZINC000414933927 295837190 /nfs/dbraw/zinc/83/71/90/295837190.db2.gz FCODAWJXWVZRET-UHFFFAOYSA-N 2 1 310.825 2.733 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000414937073 295837403 /nfs/dbraw/zinc/83/74/03/295837403.db2.gz CEPCJWYYIACXGJ-MAUKXSAKSA-N 2 1 311.429 2.748 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414946447 295838973 /nfs/dbraw/zinc/83/89/73/295838973.db2.gz JODYZVGSQPFYMD-RDTXWAMCSA-N 2 1 312.461 2.778 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414959185 295841033 /nfs/dbraw/zinc/84/10/33/295841033.db2.gz XBJNEMSKPHXKBQ-MLGOLLRUSA-N 2 1 316.424 2.858 20 0 DFADMP CCCOc1c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cccc1OCC ZINC000414955597 295840382 /nfs/dbraw/zinc/84/03/82/295840382.db2.gz MEIXQWTUMGDMFW-GDBMZVCRSA-N 2 1 306.450 2.962 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786605 398673841 /nfs/dbraw/zinc/67/38/41/398673841.db2.gz HOJDWTGINVCPIF-GOSISDBHSA-N 2 1 323.525 2.830 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000280126721 215394270 /nfs/dbraw/zinc/39/42/70/215394270.db2.gz CVCYXISABQLGKR-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(F)cccc2Br)CC1 ZINC000280126721 215394272 /nfs/dbraw/zinc/39/42/72/215394272.db2.gz CVCYXISABQLGKR-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC2CCC(C)CC2)CC1 ZINC000590787276 398675381 /nfs/dbraw/zinc/67/53/81/398675381.db2.gz YJOCAVDGXJDOGS-UHFFFAOYSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000072637744 191207490 /nfs/dbraw/zinc/20/74/90/191207490.db2.gz QBEZKSQWUZZIGE-INIZCTEOSA-N 2 1 303.450 2.597 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000072637744 191207493 /nfs/dbraw/zinc/20/74/93/191207493.db2.gz QBEZKSQWUZZIGE-INIZCTEOSA-N 2 1 303.450 2.597 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000072637744 191207495 /nfs/dbraw/zinc/20/74/95/191207495.db2.gz QBEZKSQWUZZIGE-INIZCTEOSA-N 2 1 303.450 2.597 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1F ZINC000391529727 398675717 /nfs/dbraw/zinc/67/57/17/398675717.db2.gz XGMHHDOSLAIUKN-AWEZNQCLSA-N 2 1 322.424 2.966 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cc1F ZINC000391529727 398675720 /nfs/dbraw/zinc/67/57/20/398675720.db2.gz XGMHHDOSLAIUKN-AWEZNQCLSA-N 2 1 322.424 2.966 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459780966 299190130 /nfs/dbraw/zinc/19/01/30/299190130.db2.gz MDGVUTBHNAQBHP-MRXNPFEDSA-N 2 1 312.461 2.909 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000459780982 299191256 /nfs/dbraw/zinc/19/12/56/299191256.db2.gz MHAJLRLZWPTWAG-KLHKWILBSA-N 2 1 310.482 2.820 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000590810154 398679332 /nfs/dbraw/zinc/67/93/32/398679332.db2.gz FFJHMJJIGPMYPV-ZWKOTPCHSA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000072808762 191232706 /nfs/dbraw/zinc/23/27/06/191232706.db2.gz PPTSKYDESGRKPV-OKZBNKHCSA-N 2 1 323.525 2.686 20 0 DFADMP CCCCCOc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1OC ZINC000415034839 295849324 /nfs/dbraw/zinc/84/93/24/295849324.db2.gz JXJJSWWTOZDBSA-HWWDLCQESA-N 2 1 304.434 2.572 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)cc1Br ZINC000401784452 398687960 /nfs/dbraw/zinc/68/79/60/398687960.db2.gz YQXNOKUSSZHLQN-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000415080294 295855668 /nfs/dbraw/zinc/85/56/68/295855668.db2.gz JFYLPCWNTMAJPS-AAEUAGOBSA-N 2 1 310.825 2.731 20 0 DFADMP C[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415084110 295855928 /nfs/dbraw/zinc/85/59/28/295855928.db2.gz QZTDJWSNIQAPCZ-WMZOPIPTSA-N 3 1 301.478 2.629 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000404365970 398691971 /nfs/dbraw/zinc/69/19/71/398691971.db2.gz HHXKYBNWHMTCPU-OCCSQVGLSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000404365970 398691973 /nfs/dbraw/zinc/69/19/73/398691973.db2.gz HHXKYBNWHMTCPU-OCCSQVGLSA-N 2 1 307.394 2.553 20 0 DFADMP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084510 295855962 /nfs/dbraw/zinc/85/59/62/295855962.db2.gz OPZDDSICGYPSRD-PKOBYXMFSA-N 2 1 312.461 2.662 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2csc(C(C)(C)C)n2)CC1 ZINC000105476103 398693490 /nfs/dbraw/zinc/69/34/90/398693490.db2.gz WMMMNMIWPQUROK-UHFFFAOYSA-N 2 1 324.538 2.558 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000174517480 198345843 /nfs/dbraw/zinc/34/58/43/198345843.db2.gz PDQRMTIQJIKFNS-NVXWUHKLSA-N 2 1 306.450 2.674 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC(C)(C)C3CC3)C2)CC1 ZINC000593959132 398709021 /nfs/dbraw/zinc/70/90/21/398709021.db2.gz GZHOKAKZQDRHME-SFHVURJKSA-N 2 1 307.526 2.913 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000108462045 398711458 /nfs/dbraw/zinc/71/14/58/398711458.db2.gz DXHKNUDUYVZQLX-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+]1CCC(CCNC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000074027422 398718779 /nfs/dbraw/zinc/71/87/79/398718779.db2.gz WGPRXCUDNPEEMZ-UHFFFAOYSA-N 2 1 320.481 2.635 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnoc2C)CC1 ZINC000129617163 283022286 /nfs/dbraw/zinc/02/22/86/283022286.db2.gz SWGWKMIUPSVXTC-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC000591097018 398726264 /nfs/dbraw/zinc/72/62/64/398726264.db2.gz LUOQRRZGNQVRKZ-NVXWUHKLSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC000591097018 398726267 /nfs/dbraw/zinc/72/62/67/398726267.db2.gz LUOQRRZGNQVRKZ-NVXWUHKLSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000591097018 398726272 /nfs/dbraw/zinc/72/62/72/398726272.db2.gz LUOQRRZGNQVRKZ-NVXWUHKLSA-N 2 1 315.461 2.951 20 0 DFADMP CCCNC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000129934617 283033713 /nfs/dbraw/zinc/03/37/13/283033713.db2.gz JYJXSNUAPLAEKP-AWEZNQCLSA-N 2 1 314.433 2.748 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000130382234 283047669 /nfs/dbraw/zinc/04/76/69/283047669.db2.gz UEKKCVCDVJOAOV-RDJZCZTQSA-N 2 1 315.461 2.999 20 0 DFADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000132066858 283109122 /nfs/dbraw/zinc/10/91/22/283109122.db2.gz TVPFOVOQMBNWCQ-CABCVRRESA-N 2 1 322.453 2.508 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@@H]2CCC[C@H]21 ZINC000353630061 283139020 /nfs/dbraw/zinc/13/90/20/283139020.db2.gz LTXXMOADTCSZPD-SCNOPHJPSA-N 2 1 320.502 2.998 20 0 DFADMP CCC[N@H+](C)C[C@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000081516830 192277382 /nfs/dbraw/zinc/27/73/82/192277382.db2.gz JHSNQOSYVBYUTK-MRXNPFEDSA-N 2 1 305.466 2.871 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000081516830 192277385 /nfs/dbraw/zinc/27/73/85/192277385.db2.gz JHSNQOSYVBYUTK-MRXNPFEDSA-N 2 1 305.466 2.871 20 0 DFADMP CC(C)CCn1cccc1C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000119092541 398774021 /nfs/dbraw/zinc/77/40/21/398774021.db2.gz FMJSTCXMGULHLD-UHFFFAOYSA-N 2 1 320.525 2.651 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2F)C1 ZINC000081569794 192294078 /nfs/dbraw/zinc/29/40/78/192294078.db2.gz OZEPVRSIUAYHIY-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000081569794 192294080 /nfs/dbraw/zinc/29/40/80/192294080.db2.gz OZEPVRSIUAYHIY-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000081569794 192294083 /nfs/dbraw/zinc/29/40/83/192294083.db2.gz OZEPVRSIUAYHIY-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000236922002 202073824 /nfs/dbraw/zinc/07/38/24/202073824.db2.gz JSHXUEGIISCQRZ-AWEZNQCLSA-N 2 1 304.434 2.810 20 0 DFADMP C[NH2+]CCCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000237247599 202203345 /nfs/dbraw/zinc/20/33/45/202203345.db2.gz ZOAQXFYGLUOTKH-UHFFFAOYSA-N 2 1 314.433 2.993 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000591886212 398803486 /nfs/dbraw/zinc/80/34/86/398803486.db2.gz WEGNLQLZHDGCOB-UHFFFAOYSA-N 2 1 310.441 2.900 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594491147 398808140 /nfs/dbraw/zinc/80/81/40/398808140.db2.gz WZMWGUCVBFHUJT-GOSISDBHSA-N 2 1 316.445 2.925 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493388 398808879 /nfs/dbraw/zinc/80/88/79/398808879.db2.gz HLUNJUORJDLXLX-KDOFPFPSSA-N 2 1 316.445 2.782 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCC2 ZINC000594515472 398814073 /nfs/dbraw/zinc/81/40/73/398814073.db2.gz VQUPVKOUMOPIJD-GOSISDBHSA-N 2 1 314.429 2.702 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000594520571 398815493 /nfs/dbraw/zinc/81/54/93/398815493.db2.gz JLUILCWAVPANFE-PMPSAXMXSA-N 2 1 312.498 2.920 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179632987 199067740 /nfs/dbraw/zinc/06/77/40/199067740.db2.gz GCSFUUKQEDGKLR-KRWDZBQOSA-N 2 1 312.461 2.873 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000179632987 199067742 /nfs/dbraw/zinc/06/77/42/199067742.db2.gz GCSFUUKQEDGKLR-KRWDZBQOSA-N 2 1 312.461 2.873 20 0 DFADMP COC(=O)c1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C)o1 ZINC000594608086 398830549 /nfs/dbraw/zinc/83/05/49/398830549.db2.gz IDTBDYMAWGYVNU-OAHLLOKOSA-N 2 1 310.438 2.831 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c(C)o1 ZINC000594617817 398834489 /nfs/dbraw/zinc/83/44/89/398834489.db2.gz ZBUISYAWZBDQPY-CQSZACIVSA-N 2 1 308.422 2.585 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c(C)o1 ZINC000594617817 398834493 /nfs/dbraw/zinc/83/44/93/398834493.db2.gz ZBUISYAWZBDQPY-CQSZACIVSA-N 2 1 308.422 2.585 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000276686380 213046121 /nfs/dbraw/zinc/04/61/21/213046121.db2.gz UFBMTKVIIXVCSU-LULLPPNCSA-N 2 1 302.462 2.648 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)o1 ZINC000594736828 398852692 /nfs/dbraw/zinc/85/26/92/398852692.db2.gz WNRMVDHUTRVZQD-OAHLLOKOSA-N 2 1 320.433 2.668 20 0 DFADMP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000180984558 199236737 /nfs/dbraw/zinc/23/67/37/199236737.db2.gz CSDUCQXMWXOGSH-QGZVFWFLSA-N 2 1 300.402 2.526 20 0 DFADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000180984558 199236739 /nfs/dbraw/zinc/23/67/39/199236739.db2.gz CSDUCQXMWXOGSH-QGZVFWFLSA-N 2 1 300.402 2.526 20 0 DFADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000595013869 398891916 /nfs/dbraw/zinc/89/19/16/398891916.db2.gz ULJOTCSIAPYQFV-ZIAGYGMSSA-N 2 1 309.454 2.785 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1C ZINC000598981627 398902262 /nfs/dbraw/zinc/90/22/62/398902262.db2.gz PKWZXZRKLSVFSL-OAHLLOKOSA-N 2 1 321.465 2.630 20 0 DFADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000187821376 283469958 /nfs/dbraw/zinc/46/99/58/283469958.db2.gz WFUQUSJKEVDHIY-UYAOXDASSA-N 2 1 316.489 2.933 20 0 DFADMP CSC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000187932159 200178487 /nfs/dbraw/zinc/17/84/87/200178487.db2.gz OQNMWUQNELOTQO-NJAFHUGGSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000187932159 200178489 /nfs/dbraw/zinc/17/84/89/200178489.db2.gz OQNMWUQNELOTQO-NJAFHUGGSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187932159 200178490 /nfs/dbraw/zinc/17/84/90/200178490.db2.gz OQNMWUQNELOTQO-NJAFHUGGSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000187932159 200178492 /nfs/dbraw/zinc/17/84/92/200178492.db2.gz OQNMWUQNELOTQO-NJAFHUGGSA-N 2 1 322.518 2.695 20 0 DFADMP C[C@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237540198 202275706 /nfs/dbraw/zinc/27/57/06/202275706.db2.gz SYCSQSIQBXWUIU-BHYGNILZSA-N 2 1 317.477 2.529 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1coc(C[NH3+])c1 ZINC000188062015 200188341 /nfs/dbraw/zinc/18/83/41/200188341.db2.gz PFVUCGHQKMCJPF-UHFFFAOYSA-N 2 1 315.417 2.509 20 0 DFADMP C[C@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000237566039 202286064 /nfs/dbraw/zinc/28/60/64/202286064.db2.gz CDRGRKDFEZUIRS-KXBFYZLASA-N 2 1 323.440 2.538 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000237675970 202325015 /nfs/dbraw/zinc/32/50/15/202325015.db2.gz ZEABPLVSIGIZLD-YOEHRIQHSA-N 2 1 301.434 2.609 20 0 DFADMP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188667035 200283609 /nfs/dbraw/zinc/28/36/09/200283609.db2.gz JKESBSOVORLJMF-CADBVGFASA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[NH2+]CCCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000151817476 398927801 /nfs/dbraw/zinc/92/78/01/398927801.db2.gz VZVSTKYBTAIIIS-GOSISDBHSA-N 2 1 317.477 2.545 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CC[C@@H](Cc3ccccc3)C2)CC1 ZINC000189077649 200345075 /nfs/dbraw/zinc/34/50/75/200345075.db2.gz QJRWJJXKZLTOME-OALUTQOASA-N 2 1 316.489 2.834 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000189326246 200382461 /nfs/dbraw/zinc/38/24/61/200382461.db2.gz VBTXVBZEPPONES-QFBILLFUSA-N 2 1 320.452 2.583 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287854378 219767763 /nfs/dbraw/zinc/76/77/63/219767763.db2.gz WZLLYVOKUWCTKM-CQSZACIVSA-N 2 1 310.405 2.513 20 0 DFADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000417351464 296012850 /nfs/dbraw/zinc/01/28/50/296012850.db2.gz CRLWPTIOGWFUFS-FUHWJXTLSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417351464 296012852 /nfs/dbraw/zinc/01/28/52/296012852.db2.gz CRLWPTIOGWFUFS-FUHWJXTLSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000417351464 296012853 /nfs/dbraw/zinc/01/28/53/296012853.db2.gz CRLWPTIOGWFUFS-FUHWJXTLSA-N 2 1 301.478 2.723 20 0 DFADMP CN(C)C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000417351451 296012887 /nfs/dbraw/zinc/01/28/87/296012887.db2.gz CPTZFKCDMIMEIG-GBESFXJTSA-N 2 1 313.489 2.581 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000417351451 296012888 /nfs/dbraw/zinc/01/28/88/296012888.db2.gz CPTZFKCDMIMEIG-GBESFXJTSA-N 2 1 313.489 2.581 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000417351451 296012889 /nfs/dbraw/zinc/01/28/89/296012889.db2.gz CPTZFKCDMIMEIG-GBESFXJTSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417392411 296016321 /nfs/dbraw/zinc/01/63/21/296016321.db2.gz BJJNMTBDNFIRNK-QQTVYSQJSA-N 2 1 300.446 2.685 20 0 DFADMP FC(F)CN1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000417396651 296016709 /nfs/dbraw/zinc/01/67/09/296016709.db2.gz XFAZMYBZDDSWLG-QGZVFWFLSA-N 2 1 323.431 2.580 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000599310004 398952377 /nfs/dbraw/zinc/95/23/77/398952377.db2.gz BVWFWLZARFKFSV-JKSUJKDBSA-N 2 1 323.506 2.732 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000599310003 398952407 /nfs/dbraw/zinc/95/24/07/398952407.db2.gz BVWFWLZARFKFSV-HZPDHXFCSA-N 2 1 323.506 2.732 20 0 DFADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(Cl)c1OC ZINC000271925875 209330708 /nfs/dbraw/zinc/33/07/08/209330708.db2.gz VMMFEUQJMDBVMX-UHFFFAOYSA-N 2 1 310.825 2.709 20 0 DFADMP Cc1cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000292584136 223160904 /nfs/dbraw/zinc/16/09/04/223160904.db2.gz UQMHUOLRNHBRLO-SFHVURJKSA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)ncn1 ZINC000292584134 223161013 /nfs/dbraw/zinc/16/10/13/223161013.db2.gz UQMHUOLRNHBRLO-GOSISDBHSA-N 2 1 310.445 2.739 20 0 DFADMP Cn1ccnc1C[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472344773 299324529 /nfs/dbraw/zinc/32/45/29/299324529.db2.gz LSKKLEOWECOOFH-QZTJIDSGSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1ccnc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000472344773 299324532 /nfs/dbraw/zinc/32/45/32/299324532.db2.gz LSKKLEOWECOOFH-QZTJIDSGSA-N 2 1 312.461 2.592 20 0 DFADMP c1cc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000193253638 201014565 /nfs/dbraw/zinc/01/45/65/201014565.db2.gz JBQPVWOSLVUZCO-SFHVURJKSA-N 2 1 314.473 2.972 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000193295633 201022640 /nfs/dbraw/zinc/02/26/40/201022640.db2.gz DXOMTZWASVCMBY-HZPDHXFCSA-N 2 1 317.477 2.805 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000193295643 201022674 /nfs/dbraw/zinc/02/26/74/201022674.db2.gz DXOMTZWASVCMBY-CVEARBPZSA-N 2 1 317.477 2.805 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000600150472 398972273 /nfs/dbraw/zinc/97/22/73/398972273.db2.gz ILEKMCACUGWXDG-HNNXBMFYSA-N 2 1 321.465 2.724 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1C ZINC000600150472 398972275 /nfs/dbraw/zinc/97/22/75/398972275.db2.gz ILEKMCACUGWXDG-HNNXBMFYSA-N 2 1 321.465 2.724 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000271870193 209283584 /nfs/dbraw/zinc/28/35/84/209283584.db2.gz MJUGLTAGJMTCCI-INIZCTEOSA-N 3 1 317.477 2.540 20 0 DFADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC(F)F ZINC000271868229 209281474 /nfs/dbraw/zinc/28/14/74/209281474.db2.gz WVCGIZLSCHKVNR-UHFFFAOYSA-N 2 1 312.360 2.648 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CCC=CO3)CC2)oc1C ZINC000194380507 201213432 /nfs/dbraw/zinc/21/34/32/201213432.db2.gz BJHLYXZHSUGZGX-QGZVFWFLSA-N 2 1 319.449 2.786 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)ccc1C ZINC000194352234 201208371 /nfs/dbraw/zinc/20/83/71/201208371.db2.gz HZEZPECMQGUVOA-UHFFFAOYSA-N 2 1 320.477 2.983 20 0 DFADMP Cc1ccccc1-n1nccc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292897723 223297252 /nfs/dbraw/zinc/29/72/52/223297252.db2.gz ZPMXXCNFKVCGMN-IBGZPJMESA-N 2 1 310.445 2.708 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271845448 209263413 /nfs/dbraw/zinc/26/34/13/209263413.db2.gz HMYKPLLQQBTFAX-MRXNPFEDSA-N 3 1 317.477 2.540 20 0 DFADMP CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(C)C ZINC000475016775 299340887 /nfs/dbraw/zinc/34/08/87/299340887.db2.gz IDWLGHMXSQFLLW-SFHVURJKSA-N 2 1 319.493 2.774 20 0 DFADMP Clc1ccc2nc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cn2c1 ZINC000275527037 212393526 /nfs/dbraw/zinc/39/35/26/212393526.db2.gz LMPQOSXOWHNGKX-LBPRGKRZSA-N 2 1 315.808 2.536 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621659622 399012791 /nfs/dbraw/zinc/01/27/91/399012791.db2.gz NWVABMFTNVCVAD-XMTFNYHQSA-N 2 1 321.509 2.630 20 0 DFADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000292951926 223324200 /nfs/dbraw/zinc/32/42/00/223324200.db2.gz CADROBXZFHUVDK-MOPGFXCFSA-N 2 1 320.452 2.679 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)CN1Cc1ccccc1 ZINC000275416286 212319642 /nfs/dbraw/zinc/31/96/42/212319642.db2.gz DJNJJYNMUVPROO-BHIYHBOVSA-N 2 1 324.472 2.698 20 0 DFADMP CCn1cncc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000418016433 296071626 /nfs/dbraw/zinc/07/16/26/296071626.db2.gz ZVXPRTIZZMOZCO-UHFFFAOYSA-N 2 1 313.449 2.646 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000475925073 299350991 /nfs/dbraw/zinc/35/09/91/299350991.db2.gz FHMYSUUZLQNAAP-HZPDHXFCSA-N 2 1 311.514 2.924 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)c(C)n2n1 ZINC000091733584 193099579 /nfs/dbraw/zinc/09/95/79/193099579.db2.gz PWXUKXOOAGUMFJ-IMJJTQAJSA-N 2 1 315.465 2.870 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000091741193 193099784 /nfs/dbraw/zinc/09/97/84/193099784.db2.gz VXSFIYQFNXBELC-QAPCUYQASA-N 2 1 306.450 2.532 20 0 DFADMP COC(=O)c1oc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1C ZINC000091632248 193082217 /nfs/dbraw/zinc/08/22/17/193082217.db2.gz OUUOVEKRNYXORX-CYBMUJFWSA-N 2 1 319.405 2.963 20 0 DFADMP COC(=O)c1oc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1C ZINC000091632248 193082218 /nfs/dbraw/zinc/08/22/18/193082218.db2.gz OUUOVEKRNYXORX-CYBMUJFWSA-N 2 1 319.405 2.963 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@H](C)c3cnccn3)C1)CCCC2 ZINC000275308971 212262964 /nfs/dbraw/zinc/26/29/64/212262964.db2.gz NRSFOHBFNOMFQC-HIFRSBDPSA-N 2 1 311.433 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@H](C)c3cnccn3)C1)CCCC2 ZINC000275308971 212262967 /nfs/dbraw/zinc/26/29/67/212262967.db2.gz NRSFOHBFNOMFQC-HIFRSBDPSA-N 2 1 311.433 2.868 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccc21 ZINC000621749075 399063875 /nfs/dbraw/zinc/06/38/75/399063875.db2.gz RITOFDJIUMVLTP-MRXNPFEDSA-N 2 1 303.450 2.662 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621749157 399064601 /nfs/dbraw/zinc/06/46/01/399064601.db2.gz SXJDSRXUGJBOCK-QGZVFWFLSA-N 2 1 301.434 2.558 20 0 DFADMP CCOC(=O)[C@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057844269 399066513 /nfs/dbraw/zinc/06/65/13/399066513.db2.gz RQDYDBPCDDAPLT-INIZCTEOSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057844269 399066516 /nfs/dbraw/zinc/06/65/16/399066516.db2.gz RQDYDBPCDDAPLT-INIZCTEOSA-N 2 1 318.461 2.782 20 0 DFADMP CCO[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439221 399070063 /nfs/dbraw/zinc/07/00/63/399070063.db2.gz LHFHNXKMGWIFEJ-OSFIAYCASA-N 2 1 310.482 2.544 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000271766488 209195495 /nfs/dbraw/zinc/19/54/95/209195495.db2.gz ALOFRDJVUAGWSD-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)c(OC)c1OC ZINC000058061038 399074468 /nfs/dbraw/zinc/07/44/68/399074468.db2.gz DPNHJLOFAGJEBK-AWEZNQCLSA-N 2 1 322.449 2.532 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(OC)c1OC ZINC000058061038 399074474 /nfs/dbraw/zinc/07/44/74/399074474.db2.gz DPNHJLOFAGJEBK-AWEZNQCLSA-N 2 1 322.449 2.532 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@H](C)C[NH+]3CCCC3)c(C)nc2s1 ZINC000058065114 399075825 /nfs/dbraw/zinc/07/58/25/399075825.db2.gz JABKVRWKXGYJLT-LBPRGKRZSA-N 2 1 306.479 2.834 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)o1 ZINC000058061181 399075846 /nfs/dbraw/zinc/07/58/46/399075846.db2.gz QRUHXRIXXFXWIG-AWEZNQCLSA-N 2 1 302.422 2.798 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000479450318 299377679 /nfs/dbraw/zinc/37/76/79/299377679.db2.gz UFEGDQFNWNZPSA-KRWDZBQOSA-N 2 1 303.450 2.951 20 0 DFADMP O=C(N[C@@H]1CCC[N@H+](C2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC000377947372 284025343 /nfs/dbraw/zinc/02/53/43/284025343.db2.gz FSMSGAKLQQEVBM-MRXNPFEDSA-N 2 1 319.493 2.528 20 0 DFADMP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000481442746 299396069 /nfs/dbraw/zinc/39/60/69/299396069.db2.gz XMJCFSUHFYIEHO-BBWFWOEESA-N 2 1 310.482 2.962 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)CC3CC[NH+](C)CC3)c1)O[C@@H](C)C2 ZINC000093088643 193202076 /nfs/dbraw/zinc/20/20/76/193202076.db2.gz UWJAGERZWWKOBQ-AWEZNQCLSA-N 2 1 318.461 2.792 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)CC1CC[NH+](C)CC1 ZINC000093088962 193201657 /nfs/dbraw/zinc/20/16/57/193201657.db2.gz CCMOKXGTNQELFU-UHFFFAOYSA-N 2 1 316.424 2.989 20 0 DFADMP C[C@H]1C[N@@H+](CC2(C[NH+]3C[C@@H](C)[C@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375251 296137634 /nfs/dbraw/zinc/13/76/34/296137634.db2.gz RGBJFOGAWHUZMQ-COZGXFGHSA-N 2 1 308.510 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2(C[N@@H+]3C[C@@H](C)[C@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375251 296137636 /nfs/dbraw/zinc/13/76/36/296137636.db2.gz RGBJFOGAWHUZMQ-COZGXFGHSA-N 2 1 308.510 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2(C[N@H+]3C[C@@H](C)[C@H](C)[C@@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375251 296137637 /nfs/dbraw/zinc/13/76/37/296137637.db2.gz RGBJFOGAWHUZMQ-COZGXFGHSA-N 2 1 308.510 2.956 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000093132794 193205917 /nfs/dbraw/zinc/20/59/17/193205917.db2.gz VTHVFTNYVIQMIA-QGZVFWFLSA-N 2 1 313.445 2.645 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000262314661 203258728 /nfs/dbraw/zinc/25/87/28/203258728.db2.gz OYPWABQDLYZQDG-ZBFHGGJFSA-N 2 1 311.857 2.576 20 0 DFADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174242 284155265 /nfs/dbraw/zinc/15/52/65/284155265.db2.gz NNKZLGCYNPMEAA-RBUKOAKNSA-N 2 1 301.478 2.897 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000093596993 193270763 /nfs/dbraw/zinc/27/07/63/193270763.db2.gz ZCEQAJPSCDMQKZ-GOSISDBHSA-N 2 1 310.445 2.790 20 0 DFADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000093596993 193270765 /nfs/dbraw/zinc/27/07/65/193270765.db2.gz ZCEQAJPSCDMQKZ-GOSISDBHSA-N 2 1 310.445 2.790 20 0 DFADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282347800 216927594 /nfs/dbraw/zinc/92/75/94/216927594.db2.gz PCNCQWKAVUXMAD-INIZCTEOSA-N 2 1 319.493 2.680 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639466 193278224 /nfs/dbraw/zinc/27/82/24/193278224.db2.gz NMZGYQLKCFSDDA-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639466 193278226 /nfs/dbraw/zinc/27/82/26/193278226.db2.gz NMZGYQLKCFSDDA-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639466 193278227 /nfs/dbraw/zinc/27/82/27/193278227.db2.gz NMZGYQLKCFSDDA-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639466 193278229 /nfs/dbraw/zinc/27/82/29/193278229.db2.gz NMZGYQLKCFSDDA-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000093694011 193290284 /nfs/dbraw/zinc/29/02/84/193290284.db2.gz UROCLINGONZKNC-HNNXBMFYSA-N 2 1 306.498 2.709 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](C[NH+](CC)CC)C1 ZINC000093694011 193290285 /nfs/dbraw/zinc/29/02/85/193290285.db2.gz UROCLINGONZKNC-HNNXBMFYSA-N 2 1 306.498 2.709 20 0 DFADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@@]1(C)CCCO1 ZINC000340298225 284170730 /nfs/dbraw/zinc/17/07/30/284170730.db2.gz XPIZUTIHPHIMNL-DLBZAZTESA-N 2 1 310.482 2.569 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C[C@H]1c1ccccc1 ZINC000340304954 284171622 /nfs/dbraw/zinc/17/16/22/284171622.db2.gz IYFITLORLVEISA-LNLFQRSKSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)C[C@H]1c1ccccc1 ZINC000340304954 284171624 /nfs/dbraw/zinc/17/16/24/284171624.db2.gz IYFITLORLVEISA-LNLFQRSKSA-N 2 1 310.445 2.692 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccnn2C)CC1 ZINC000093844565 193317911 /nfs/dbraw/zinc/31/79/11/193317911.db2.gz LNMCVYCKGAHLNV-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP CN1CC[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C[C@H]1c1ccccc1 ZINC000340398393 284179968 /nfs/dbraw/zinc/17/99/68/284179968.db2.gz ZTSGSQGXNXIJNC-BXWFABGCSA-N 3 1 310.445 2.692 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc21 ZINC000340419910 284183206 /nfs/dbraw/zinc/18/32/06/284183206.db2.gz ZBTXIXQQXQIJAO-DLBZAZTESA-N 2 1 313.449 2.729 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cnc21 ZINC000340419910 284183208 /nfs/dbraw/zinc/18/32/08/284183208.db2.gz ZBTXIXQQXQIJAO-DLBZAZTESA-N 2 1 313.449 2.729 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000419918278 296151460 /nfs/dbraw/zinc/15/14/60/296151460.db2.gz JJQIAQRWQHURIK-GOSISDBHSA-N 2 1 317.477 2.718 20 0 DFADMP [NH3+][C@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000420108900 296158887 /nfs/dbraw/zinc/15/88/87/296158887.db2.gz CTIRJXHRNYTOLJ-NSHDSACASA-N 2 1 306.207 2.925 20 0 DFADMP C[C@@H]1C[NH2+]CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000420163201 296160193 /nfs/dbraw/zinc/16/01/93/296160193.db2.gz DZZPPNDZHXKINE-SNVBAGLBSA-N 2 1 306.207 2.795 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000600117658 399142515 /nfs/dbraw/zinc/14/25/15/399142515.db2.gz MIYAEQHXBQLHRS-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP [NH3+]CCCN(CC1CCCC1)c1cc[nH+]c(N2CCCCC2)n1 ZINC000420251251 296165802 /nfs/dbraw/zinc/16/58/02/296165802.db2.gz LDCNEHNLQJTMAN-UHFFFAOYSA-N 2 1 317.481 2.812 20 0 DFADMP CCCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000600801888 399151701 /nfs/dbraw/zinc/15/17/01/399151701.db2.gz VOHQULGHPNHYNG-IBGZPJMESA-N 2 1 304.478 2.966 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420273008 296168126 /nfs/dbraw/zinc/16/81/26/296168126.db2.gz MZDCZULEJXUZSA-GFCCVEGCSA-N 2 1 300.805 2.789 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420273008 296168127 /nfs/dbraw/zinc/16/81/27/296168127.db2.gz MZDCZULEJXUZSA-GFCCVEGCSA-N 2 1 300.805 2.789 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H]1CN ZINC000420290535 296169909 /nfs/dbraw/zinc/16/99/09/296169909.db2.gz LYVQWPZWFQWGBT-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000420290535 296169910 /nfs/dbraw/zinc/16/99/10/296169910.db2.gz LYVQWPZWFQWGBT-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000420290535 296169911 /nfs/dbraw/zinc/16/99/11/296169911.db2.gz LYVQWPZWFQWGBT-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP CCC[C@H]1[C@H](C)CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295320 296170481 /nfs/dbraw/zinc/17/04/81/296170481.db2.gz CFACGTMCSADBRK-BVBHFADKSA-N 2 1 304.478 2.818 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420301102 296171649 /nfs/dbraw/zinc/17/16/49/296171649.db2.gz LAWNFWLSFRTKOQ-AEFFLSMTSA-N 2 1 315.461 2.504 20 0 DFADMP Cc1c(Br)cccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420299764 296171382 /nfs/dbraw/zinc/17/13/82/296171382.db2.gz BQRCXUUCFSFVTH-GUTXKFCHSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000420299764 296171383 /nfs/dbraw/zinc/17/13/83/296171383.db2.gz BQRCXUUCFSFVTH-GUTXKFCHSA-N 2 1 309.251 2.927 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420301546 296171937 /nfs/dbraw/zinc/17/19/37/296171937.db2.gz LKYKZFSWIGNRDG-CABCVRRESA-N 2 1 309.885 2.669 20 0 DFADMP CCN(CC)CC[N@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420309231 296172950 /nfs/dbraw/zinc/17/29/50/296172950.db2.gz DTJCUIFOEZCZLB-GOSISDBHSA-N 2 1 303.494 2.830 20 0 DFADMP CCN(CC)CC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420309231 296172951 /nfs/dbraw/zinc/17/29/51/296172951.db2.gz DTJCUIFOEZCZLB-GOSISDBHSA-N 2 1 303.494 2.830 20 0 DFADMP Fc1ccc(CC[N@@H+](CCN2CC[NH2+]CC2)C2CCCC2)cc1 ZINC000420305829 296172496 /nfs/dbraw/zinc/17/24/96/296172496.db2.gz QAZQNUPTDHOJHD-UHFFFAOYSA-N 2 1 319.468 2.518 20 0 DFADMP C(CN1CCC[N@@H+](CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420311104 296173205 /nfs/dbraw/zinc/17/32/05/296173205.db2.gz GUNKVUNMSFREOM-GOSISDBHSA-N 2 1 307.526 2.964 20 0 DFADMP C(C[N@@H+]1CCCN(CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420311104 296173206 /nfs/dbraw/zinc/17/32/06/296173206.db2.gz GUNKVUNMSFREOM-GOSISDBHSA-N 2 1 307.526 2.964 20 0 DFADMP C(C[N@H+]1CCCN(CC2CCCCC2)CC1)[C@H]1CCC[NH2+]C1 ZINC000420311104 296173207 /nfs/dbraw/zinc/17/32/07/296173207.db2.gz GUNKVUNMSFREOM-GOSISDBHSA-N 2 1 307.526 2.964 20 0 DFADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420310974 296173214 /nfs/dbraw/zinc/17/32/14/296173214.db2.gz VPOOUZVJCGJLSG-BVBHFADKSA-N 2 1 304.478 2.818 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)C[C@@H]21 ZINC000420310764 296173443 /nfs/dbraw/zinc/17/34/43/296173443.db2.gz QBTROGJMJIEBSS-OSAQELSMSA-N 2 1 312.816 2.917 20 0 DFADMP CC(C)(C)c1csc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)n1 ZINC000420308490 296173003 /nfs/dbraw/zinc/17/30/03/296173003.db2.gz SHRGJQHCHCINPY-KGLIPLIRSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)(C)c1csc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)n1 ZINC000420308490 296173004 /nfs/dbraw/zinc/17/30/04/296173004.db2.gz SHRGJQHCHCINPY-KGLIPLIRSA-N 2 1 323.506 2.814 20 0 DFADMP C[N@H+](CCC(=O)Nc1cccc2ccccc21)C1(C[NH3+])CCC1 ZINC000420319869 296174419 /nfs/dbraw/zinc/17/44/19/296174419.db2.gz ARJLUZAHTJDKBR-UHFFFAOYSA-N 2 1 311.429 2.982 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)C1(C[NH3+])CCC1 ZINC000420319869 296174420 /nfs/dbraw/zinc/17/44/20/296174420.db2.gz ARJLUZAHTJDKBR-UHFFFAOYSA-N 2 1 311.429 2.982 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2cc(C)no2)cc1 ZINC000420319341 296174466 /nfs/dbraw/zinc/17/44/66/296174466.db2.gz PFZLKDKGPZZVNH-NVXWUHKLSA-N 2 1 315.417 2.871 20 0 DFADMP C[C@@H](c1ccccc1Cl)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420321297 296174773 /nfs/dbraw/zinc/17/47/73/296174773.db2.gz REJFVXDMIVDWPL-AWEZNQCLSA-N 2 1 307.869 2.771 20 0 DFADMP c1ccc(CC[N@H+](CCN2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000420321728 296174932 /nfs/dbraw/zinc/17/49/32/296174932.db2.gz RNGJRAUJUDBMDG-UHFFFAOYSA-N 2 1 323.484 2.637 20 0 DFADMP CCC[N@H+](Cc1cc(C(=O)OC)sc1C)C1CC[NH2+]CC1 ZINC000420322228 296174943 /nfs/dbraw/zinc/17/49/43/296174943.db2.gz SJVQHFYMHGRTQN-UHFFFAOYSA-N 2 1 310.463 2.807 20 0 DFADMP CCC[N@@H+](Cc1cc(C(=O)OC)sc1C)C1CC[NH2+]CC1 ZINC000420322228 296174945 /nfs/dbraw/zinc/17/49/45/296174945.db2.gz SJVQHFYMHGRTQN-UHFFFAOYSA-N 2 1 310.463 2.807 20 0 DFADMP Cc1ccc(-c2noc(CCC[N@H+](C)C3CC([NH3+])C3)n2)cc1F ZINC000420325390 296175353 /nfs/dbraw/zinc/17/53/53/296175353.db2.gz DDRUOQMELGBQCQ-UHFFFAOYSA-N 2 1 318.396 2.538 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420326724 296175601 /nfs/dbraw/zinc/17/56/01/296175601.db2.gz KOGLQVVGABCJAP-RYRKJORJSA-N 2 1 316.445 2.531 20 0 DFADMP c1ccc(COCCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420321613 296174819 /nfs/dbraw/zinc/17/48/19/296174819.db2.gz DATHCDJWEDKJBK-RBUKOAKNSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328501 296176251 /nfs/dbraw/zinc/17/62/51/296176251.db2.gz MQYASEJCRQCSOV-CHWSQXEVSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328501 296176252 /nfs/dbraw/zinc/17/62/52/296176252.db2.gz MQYASEJCRQCSOV-CHWSQXEVSA-N 2 1 310.388 2.713 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331376 296176357 /nfs/dbraw/zinc/17/63/57/296176357.db2.gz BVGWJYMRUIMBEB-DLBZAZTESA-N 2 1 315.461 2.563 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327073 296175751 /nfs/dbraw/zinc/17/57/51/296175751.db2.gz CTVVITYQQSMKEM-UPJWGTAASA-N 2 1 318.446 2.791 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325771 296175757 /nfs/dbraw/zinc/17/57/57/296175757.db2.gz BUGWQLCODBIFIZ-ZACQAIPSSA-N 2 1 315.461 2.562 20 0 DFADMP COc1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420328529 296176110 /nfs/dbraw/zinc/17/61/10/296176110.db2.gz ZUPCVOOWLVVSPU-VQIMIIECSA-N 2 1 318.461 2.676 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335900 296177107 /nfs/dbraw/zinc/17/71/07/296177107.db2.gz IANLZZKOLVBYLM-OKZBNKHCSA-N 2 1 323.525 2.639 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339039 296177480 /nfs/dbraw/zinc/17/74/80/296177480.db2.gz LOJRAVKFPJEMQI-SJORKVTESA-N 2 1 315.461 2.563 20 0 DFADMP COc1ccccc1CCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420338270 296177530 /nfs/dbraw/zinc/17/75/30/296177530.db2.gz XPYALCLKRDCOIF-ZWKOTPCHSA-N 2 1 302.462 2.949 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336025 296177085 /nfs/dbraw/zinc/17/70/85/296177085.db2.gz VINOQOWBVHAXTB-LSDHHAIUSA-N 2 1 304.438 2.549 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344981 296178161 /nfs/dbraw/zinc/17/81/61/296178161.db2.gz VJRVAFLILJDPFA-IRXDYDNUSA-N 2 1 318.461 2.786 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339004 296177549 /nfs/dbraw/zinc/17/75/49/296177549.db2.gz LJXCDZZEXPVSHG-IAGOWNOFSA-N 2 1 315.461 2.563 20 0 DFADMP Cc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c(C[NH+](C)C)c1 ZINC000080669208 399168375 /nfs/dbraw/zinc/16/83/75/399168375.db2.gz LALITOIJDCLSEN-DLBZAZTESA-N 2 1 315.461 2.870 20 0 DFADMP CCCCc1noc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000420346539 296178292 /nfs/dbraw/zinc/17/82/92/296178292.db2.gz YPKXPWFNMQWFPW-UKRRQHHQSA-N 2 1 306.454 2.937 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420346947 296178340 /nfs/dbraw/zinc/17/83/40/296178340.db2.gz ZMVASFRSLAUKMK-IRXDYDNUSA-N 2 1 315.461 2.563 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2)cs1 ZINC000420346868 296178400 /nfs/dbraw/zinc/17/84/00/296178400.db2.gz ZHVJFQHYZPVGSZ-CHWSQXEVSA-N 2 1 318.446 2.620 20 0 DFADMP Cc1cc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)ccc1F ZINC000420354302 296178727 /nfs/dbraw/zinc/17/87/27/296178727.db2.gz CVHDXJOGNYQJBB-GOSISDBHSA-N 2 1 306.425 2.897 20 0 DFADMP Cc1cc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)ccc1F ZINC000420352857 296178787 /nfs/dbraw/zinc/17/87/87/296178787.db2.gz AWOACLPLINEMSF-MAUKXSAKSA-N 2 1 306.425 2.897 20 0 DFADMP Cc1ccc([C@@]2(C)CC[N@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000420353260 296178941 /nfs/dbraw/zinc/17/89/41/296178941.db2.gz BLQJHNPUJLLERL-SFHVURJKSA-N 2 1 314.433 2.735 20 0 DFADMP Cc1ccc([C@@]2(C)CC[N@@H+](Cc3nc(C(C)(C)[NH3+])no3)C2)cc1 ZINC000420353260 296178942 /nfs/dbraw/zinc/17/89/42/296178942.db2.gz BLQJHNPUJLLERL-SFHVURJKSA-N 2 1 314.433 2.735 20 0 DFADMP C[NH2+]CCC[N@@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000420365023 296180846 /nfs/dbraw/zinc/18/08/46/296180846.db2.gz RRNUWTCDHYGABE-SNVBAGLBSA-N 2 1 307.385 2.951 20 0 DFADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(C(F)(F)F)cs2)C1 ZINC000420365023 296180847 /nfs/dbraw/zinc/18/08/47/296180847.db2.gz RRNUWTCDHYGABE-SNVBAGLBSA-N 2 1 307.385 2.951 20 0 DFADMP CCOc1ccc(OCC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420369003 296181494 /nfs/dbraw/zinc/18/14/94/296181494.db2.gz XHETZXVONCWCDK-GOSISDBHSA-N 2 1 306.450 2.961 20 0 DFADMP COCC[C@@H]1CCCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420375023 296182285 /nfs/dbraw/zinc/18/22/85/296182285.db2.gz ORIPYUIKLRKZKT-FUHWJXTLSA-N 2 1 320.477 2.876 20 0 DFADMP COCC[C@H]1CCCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420375021 296182442 /nfs/dbraw/zinc/18/24/42/296182442.db2.gz ORIPYUIKLRKZKT-AEFFLSMTSA-N 2 1 320.477 2.876 20 0 DFADMP CC[C@@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CCC[NH2+]C ZINC000420377213 296182695 /nfs/dbraw/zinc/18/26/95/296182695.db2.gz RYTCHODLCFFOFW-VQIMIIECSA-N 2 1 318.509 2.532 20 0 DFADMP CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC[NH2+]C ZINC000420377213 296182697 /nfs/dbraw/zinc/18/26/97/296182697.db2.gz RYTCHODLCFFOFW-VQIMIIECSA-N 2 1 318.509 2.532 20 0 DFADMP CC[C@@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC[NH2+]C ZINC000420377213 296182699 /nfs/dbraw/zinc/18/26/99/296182699.db2.gz RYTCHODLCFFOFW-VQIMIIECSA-N 2 1 318.509 2.532 20 0 DFADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645008 217147830 /nfs/dbraw/zinc/14/78/30/217147830.db2.gz LKNSEJWIGUNCEF-INIZCTEOSA-N 2 1 324.472 2.969 20 0 DFADMP C[C@@H]([NH3+])CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000420380954 296183381 /nfs/dbraw/zinc/18/33/81/296183381.db2.gz XDIUTPDROOGRCC-GFCCVEGCSA-N 2 1 316.276 2.501 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(C)c1OC ZINC000342062049 284318949 /nfs/dbraw/zinc/31/89/49/284318949.db2.gz NUFMKHCFOBVSIV-UHFFFAOYSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420379939 296183585 /nfs/dbraw/zinc/18/35/85/296183585.db2.gz BSKUWZXWVSOLMM-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP Fc1ccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420382138 296183675 /nfs/dbraw/zinc/18/36/75/296183675.db2.gz YKBVQIPNIPGFAZ-MLGOLLRUSA-N 2 1 312.816 2.852 20 0 DFADMP Fc1ccc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420382138 296183677 /nfs/dbraw/zinc/18/36/77/296183677.db2.gz YKBVQIPNIPGFAZ-MLGOLLRUSA-N 2 1 312.816 2.852 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420384082 296184047 /nfs/dbraw/zinc/18/40/47/296184047.db2.gz RIMMDHZGXHMPPE-NXHRZFHOSA-N 2 1 317.477 2.513 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420384082 296184048 /nfs/dbraw/zinc/18/40/48/296184048.db2.gz RIMMDHZGXHMPPE-NXHRZFHOSA-N 2 1 317.477 2.513 20 0 DFADMP c1cc(CC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc2c1OCC2 ZINC000420390908 296184701 /nfs/dbraw/zinc/18/47/01/296184701.db2.gz HYQIYNQMLALTQN-ROUUACIJSA-N 2 1 300.446 2.628 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342089643 284324017 /nfs/dbraw/zinc/32/40/17/284324017.db2.gz AXMAPYFQBPILFZ-GUYJKWIASA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342089643 284324022 /nfs/dbraw/zinc/32/40/22/284324022.db2.gz AXMAPYFQBPILFZ-GUYJKWIASA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H]1CCC[C@@H](CC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420388299 296184910 /nfs/dbraw/zinc/18/49/10/296184910.db2.gz MBAMFWBVMUMRDY-FJIDUMEYSA-N 2 1 306.494 2.903 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342090726 284324513 /nfs/dbraw/zinc/32/45/13/284324513.db2.gz BUIFPUKSJUCGIK-YVECIDJPSA-N 2 1 318.446 2.918 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342090726 284324517 /nfs/dbraw/zinc/32/45/17/284324517.db2.gz BUIFPUKSJUCGIK-YVECIDJPSA-N 2 1 318.446 2.918 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393064 296185375 /nfs/dbraw/zinc/18/53/75/296185375.db2.gz JJRMWYQEOGONRH-PBHICJAKSA-N 2 1 319.424 2.618 20 0 DFADMP CC(C)(C)c1ccc(OCCC[N@H+]2CCCO[C@@H](C[NH3+])C2)cc1 ZINC000420397700 296186049 /nfs/dbraw/zinc/18/60/49/296186049.db2.gz XXDDRIRGLCWSAB-SFHVURJKSA-N 2 1 320.477 2.803 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC[N@H+]1C ZINC000596118558 399179671 /nfs/dbraw/zinc/17/96/71/399179671.db2.gz ZXNRMHBDBYTJLE-FVQBIDKESA-N 2 1 310.482 2.817 20 0 DFADMP c1ccc(OCCOCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420401704 296186413 /nfs/dbraw/zinc/18/64/13/296186413.db2.gz PRNVKJINXSQVRW-IEBWSBKVSA-N 2 1 318.461 2.546 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407409 296187180 /nfs/dbraw/zinc/18/71/80/296187180.db2.gz VFPCABPDWMQDLC-ROUUACIJSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420407409 296187181 /nfs/dbraw/zinc/18/71/81/296187181.db2.gz VFPCABPDWMQDLC-ROUUACIJSA-N 2 1 323.525 2.591 20 0 DFADMP CN(CC[N@@H+](C)Cc1cc2ccccc2o1)C1CC[NH+](C)CC1 ZINC000271697686 209135437 /nfs/dbraw/zinc/13/54/37/209135437.db2.gz MUMGEGDSHVEBBR-UHFFFAOYSA-N 2 1 315.461 2.891 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000266040345 284368084 /nfs/dbraw/zinc/36/80/84/284368084.db2.gz CFTFJOSDFPRAOX-JQHSSLGASA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000266040345 284368086 /nfs/dbraw/zinc/36/80/86/284368086.db2.gz CFTFJOSDFPRAOX-JQHSSLGASA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000266040345 284368088 /nfs/dbraw/zinc/36/80/88/284368088.db2.gz CFTFJOSDFPRAOX-JQHSSLGASA-N 2 1 317.477 2.621 20 0 DFADMP CCC1CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000342586784 284371960 /nfs/dbraw/zinc/37/19/60/284371960.db2.gz AXJFOJJNRPAVRQ-XUJQIHCRSA-N 2 1 302.462 2.922 20 0 DFADMP Cn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000282900419 217311594 /nfs/dbraw/zinc/31/15/94/217311594.db2.gz FISDZJPDJCEGCB-GOSISDBHSA-N 2 1 312.461 2.810 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)cn1 ZINC000282900419 217311595 /nfs/dbraw/zinc/31/15/95/217311595.db2.gz FISDZJPDJCEGCB-GOSISDBHSA-N 2 1 312.461 2.810 20 0 DFADMP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1ccccc1F ZINC000288507029 220187054 /nfs/dbraw/zinc/18/70/54/220187054.db2.gz ILCBJICXDJJTMG-UHFFFAOYSA-N 2 1 317.408 2.841 20 0 DFADMP Cc1cc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)cc(C)n1 ZINC000420789130 296202073 /nfs/dbraw/zinc/20/20/73/296202073.db2.gz DLCDEPDANZMBCB-HZPDHXFCSA-N 2 1 318.465 2.761 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000420899570 296209681 /nfs/dbraw/zinc/20/96/81/296209681.db2.gz GAQQZVKZKFXEID-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CCCO1 ZINC000420899570 296209684 /nfs/dbraw/zinc/20/96/84/296209684.db2.gz GAQQZVKZKFXEID-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CCCCO1 ZINC000420900334 296209858 /nfs/dbraw/zinc/20/98/58/296209858.db2.gz HXRHZOIYEDYYES-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CCCCO1 ZINC000420900334 296209860 /nfs/dbraw/zinc/20/98/60/296209860.db2.gz HXRHZOIYEDYYES-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@H](C)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420904775 296210262 /nfs/dbraw/zinc/21/02/62/296210262.db2.gz CJJCIMAYIKFEIR-QGZVFWFLSA-N 2 1 320.477 2.764 20 0 DFADMP CO[C@H](C)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420904775 296210263 /nfs/dbraw/zinc/21/02/63/296210263.db2.gz CJJCIMAYIKFEIR-QGZVFWFLSA-N 2 1 320.477 2.764 20 0 DFADMP COCc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000608057161 399228371 /nfs/dbraw/zinc/22/83/71/399228371.db2.gz SZOMUEIZLAPMLE-LJQANCHMSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1ccoc1C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000608056420 399228945 /nfs/dbraw/zinc/22/89/45/399228945.db2.gz VYWMJAYZWXWUMH-OAHLLOKOSA-N 2 1 300.406 2.753 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926036 296213046 /nfs/dbraw/zinc/21/30/46/296213046.db2.gz MPKRBFASANRBHT-RTBURBONSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926036 296213047 /nfs/dbraw/zinc/21/30/47/296213047.db2.gz MPKRBFASANRBHT-RTBURBONSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926036 296213048 /nfs/dbraw/zinc/21/30/48/296213048.db2.gz MPKRBFASANRBHT-RTBURBONSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926036 296213050 /nfs/dbraw/zinc/21/30/50/296213050.db2.gz MPKRBFASANRBHT-RTBURBONSA-N 2 1 320.452 2.678 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000420936417 296214902 /nfs/dbraw/zinc/21/49/02/296214902.db2.gz MXQPIFBDPZZUJW-RTBURBONSA-N 2 1 300.446 2.751 20 0 DFADMP CSCCC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961760 296217993 /nfs/dbraw/zinc/21/79/93/296217993.db2.gz JLBWLDZUZXOWHL-UHFFFAOYSA-N 2 1 308.491 2.704 20 0 DFADMP CSCCC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961760 296217994 /nfs/dbraw/zinc/21/79/94/296217994.db2.gz JLBWLDZUZXOWHL-UHFFFAOYSA-N 2 1 308.491 2.704 20 0 DFADMP CCOC1CC([N@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420962341 296218559 /nfs/dbraw/zinc/21/85/59/296218559.db2.gz KEXOTXMJGQOJLD-UHFFFAOYSA-N 2 1 318.461 2.518 20 0 DFADMP CCOC1CC([N@@H+](C)Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420962341 296218561 /nfs/dbraw/zinc/21/85/61/296218561.db2.gz KEXOTXMJGQOJLD-UHFFFAOYSA-N 2 1 318.461 2.518 20 0 DFADMP CCN1CCC([N@@H+]2CCCN([C@@H](C)c3ncc(C)o3)CC2)CC1 ZINC000420974446 296219679 /nfs/dbraw/zinc/21/96/79/296219679.db2.gz DSWFEGFBWMUVDK-INIZCTEOSA-N 2 1 320.481 2.536 20 0 DFADMP CCN1CCC([N@H+]2CCCN([C@@H](C)c3ncc(C)o3)CC2)CC1 ZINC000420974446 296219680 /nfs/dbraw/zinc/21/96/80/296219680.db2.gz DSWFEGFBWMUVDK-INIZCTEOSA-N 2 1 320.481 2.536 20 0 DFADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000622555324 399259535 /nfs/dbraw/zinc/25/95/35/399259535.db2.gz SRWGTHQATIQKNE-ZWKOTPCHSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000622555324 399259538 /nfs/dbraw/zinc/25/95/38/399259538.db2.gz SRWGTHQATIQKNE-ZWKOTPCHSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000622555324 399259540 /nfs/dbraw/zinc/25/95/40/399259540.db2.gz SRWGTHQATIQKNE-ZWKOTPCHSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000622555323 399259633 /nfs/dbraw/zinc/25/96/33/399259633.db2.gz SRWGTHQATIQKNE-ROUUACIJSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000622555323 399259635 /nfs/dbraw/zinc/25/96/35/399259635.db2.gz SRWGTHQATIQKNE-ROUUACIJSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000622555323 399259638 /nfs/dbraw/zinc/25/96/38/399259638.db2.gz SRWGTHQATIQKNE-ROUUACIJSA-N 2 1 321.509 2.582 20 0 DFADMP C[N@@H+](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CCC1 ZINC000608500839 399272212 /nfs/dbraw/zinc/27/22/12/399272212.db2.gz SOWIKAWJPPQXNB-UHFFFAOYSA-N 2 1 321.509 2.776 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325648 399277755 /nfs/dbraw/zinc/27/77/55/399277755.db2.gz DYHMFIOHYDSXRY-VXGBXAGGSA-N 2 1 318.442 2.715 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601325648 399277758 /nfs/dbraw/zinc/27/77/58/399277758.db2.gz DYHMFIOHYDSXRY-VXGBXAGGSA-N 2 1 318.442 2.715 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCc4ccccc43)C2)CC1 ZINC000614962606 399286089 /nfs/dbraw/zinc/28/60/89/399286089.db2.gz LQOGOWROLSRVHM-ICSRJNTNSA-N 2 1 313.489 2.774 20 0 DFADMP CCCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OCC ZINC000623086792 399324549 /nfs/dbraw/zinc/32/45/49/399324549.db2.gz KOXXJPFTMVPEMT-UHFFFAOYSA-N 2 1 317.433 2.940 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000360945792 284685710 /nfs/dbraw/zinc/68/57/10/284685710.db2.gz GQXMXIGIMSDETP-ULQDDVLXSA-N 2 1 311.514 2.637 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882574 209291955 /nfs/dbraw/zinc/29/19/55/209291955.db2.gz VMLKWHQZMUEKPZ-YOEHRIQHSA-N 2 1 300.450 2.735 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882574 209291958 /nfs/dbraw/zinc/29/19/58/209291958.db2.gz VMLKWHQZMUEKPZ-YOEHRIQHSA-N 2 1 300.450 2.735 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882574 209291959 /nfs/dbraw/zinc/29/19/59/209291959.db2.gz VMLKWHQZMUEKPZ-YOEHRIQHSA-N 2 1 300.450 2.735 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1Cl ZINC000284533164 218068331 /nfs/dbraw/zinc/06/83/31/218068331.db2.gz XESNFRHUMCYBPC-LLVKDONJSA-N 2 1 308.813 2.989 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n(C)n1 ZINC000284569681 218081514 /nfs/dbraw/zinc/08/15/14/218081514.db2.gz YRTNKTMABOFIFL-YZGWKJHDSA-N 2 1 324.472 2.729 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000610250404 399350857 /nfs/dbraw/zinc/35/08/57/399350857.db2.gz DGSOEVRDJKVMEI-UYAOXDASSA-N 2 1 315.505 2.890 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000105451330 194104222 /nfs/dbraw/zinc/10/42/22/194104222.db2.gz JDFLZFJJVCHFCK-CRAIPNDOSA-N 2 1 319.493 2.766 20 0 DFADMP C[N@@H+](CCCN[C@H]1CC[NH+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623343378 399367214 /nfs/dbraw/zinc/36/72/14/399367214.db2.gz PCYNOFPHSFRLHO-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](CCCN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623343378 399367219 /nfs/dbraw/zinc/36/72/19/399367219.db2.gz PCYNOFPHSFRLHO-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](CCCN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623343378 399367221 /nfs/dbraw/zinc/36/72/21/399367221.db2.gz PCYNOFPHSFRLHO-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347623 399369001 /nfs/dbraw/zinc/36/90/01/399369001.db2.gz GEAZEJPFWRCMEX-GOEBONIOSA-N 2 1 321.534 2.957 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc(F)c1F ZINC000623356477 399370833 /nfs/dbraw/zinc/37/08/33/399370833.db2.gz SIRFLYMFKPXDPC-LBPRGKRZSA-N 2 1 309.404 2.605 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)ccc(F)c1F ZINC000623356477 399370839 /nfs/dbraw/zinc/37/08/39/399370839.db2.gz SIRFLYMFKPXDPC-LBPRGKRZSA-N 2 1 309.404 2.605 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623371702 399374140 /nfs/dbraw/zinc/37/41/40/399374140.db2.gz ODKQWBABFQUQMB-INIZCTEOSA-N 2 1 306.450 2.674 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371702 399374144 /nfs/dbraw/zinc/37/41/44/399374144.db2.gz ODKQWBABFQUQMB-INIZCTEOSA-N 2 1 306.450 2.674 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)CC1(C)C ZINC000623370873 399374298 /nfs/dbraw/zinc/37/42/98/399374298.db2.gz CBKSRWRFEQKLTO-GOSISDBHSA-N 2 1 312.461 2.894 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1(C)C ZINC000623388273 399377935 /nfs/dbraw/zinc/37/79/35/399377935.db2.gz CTIXHHTYWPQWMY-CABCVRRESA-N 2 1 318.509 2.958 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC1(C)C ZINC000623378686 399376403 /nfs/dbraw/zinc/37/64/03/399376403.db2.gz LQWFVRUERGGHSL-AWEZNQCLSA-N 2 1 300.450 2.958 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000623380580 399376598 /nfs/dbraw/zinc/37/65/98/399376598.db2.gz FXUFUASKLADANU-HNNXBMFYSA-N 2 1 323.868 2.532 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000623393042 399379059 /nfs/dbraw/zinc/37/90/59/399379059.db2.gz WSCXLFPSTLTIAG-QGZVFWFLSA-N 2 1 312.461 2.877 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)Cc1ccccc1 ZINC000623413426 399383744 /nfs/dbraw/zinc/38/37/44/399383744.db2.gz VKAGJFVRKYBMON-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000623413426 399383748 /nfs/dbraw/zinc/38/37/48/399383748.db2.gz VKAGJFVRKYBMON-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000623413426 399383752 /nfs/dbraw/zinc/38/37/52/399383752.db2.gz VKAGJFVRKYBMON-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413426 399383755 /nfs/dbraw/zinc/38/37/55/399383755.db2.gz VKAGJFVRKYBMON-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413426 399383759 /nfs/dbraw/zinc/38/37/59/399383759.db2.gz VKAGJFVRKYBMON-SJLPKXTDSA-N 2 1 303.494 2.969 20 0 DFADMP COc1cccc2c1OCC[C@H]2N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623418502 399384727 /nfs/dbraw/zinc/38/47/27/399384727.db2.gz SOJFYDMTJDFQHW-DZGCQCFKSA-N 2 1 304.434 2.981 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2csc(N3CCCC3)n2)CC1(C)C ZINC000623423296 399386082 /nfs/dbraw/zinc/38/60/82/399386082.db2.gz AVLVTQRMCBVAJE-AWEZNQCLSA-N 2 1 322.522 2.748 20 0 DFADMP C[N@@H+](C[C@@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285360456 218398375 /nfs/dbraw/zinc/39/83/75/218398375.db2.gz BMKFHTDHYOCTFP-SWDXFRIISA-N 2 1 302.462 2.537 20 0 DFADMP C[NH+](C[C@@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285360456 218398378 /nfs/dbraw/zinc/39/83/78/218398378.db2.gz BMKFHTDHYOCTFP-SWDXFRIISA-N 2 1 302.462 2.537 20 0 DFADMP C[NH+](C[C@@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285360456 218398379 /nfs/dbraw/zinc/39/83/79/218398379.db2.gz BMKFHTDHYOCTFP-SWDXFRIISA-N 2 1 302.462 2.537 20 0 DFADMP Cc1cc(C)c2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCCO2 ZINC000268827520 206994181 /nfs/dbraw/zinc/99/41/81/206994181.db2.gz JLKHAXOLACOLLG-WMZOPIPTSA-N 2 1 318.461 2.563 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000268835840 207001623 /nfs/dbraw/zinc/00/16/23/207001623.db2.gz UJOFZYRFMJTFLG-AWEZNQCLSA-N 2 1 303.406 2.568 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000422558237 296312408 /nfs/dbraw/zinc/31/24/08/296312408.db2.gz ANXDOYXEAQGUAH-INMHGKMJSA-N 2 1 304.482 2.731 20 0 DFADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422558831 296312246 /nfs/dbraw/zinc/31/22/46/296312246.db2.gz ZUDZIMOILJBJFB-VLOYRQLPSA-N 3 1 301.478 2.942 20 0 DFADMP c1cc(OC[C@@H]2CCCO2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561415 296312814 /nfs/dbraw/zinc/31/28/14/296312814.db2.gz LDAWWHHBYSNJMI-SFHVURJKSA-N 2 1 316.445 2.572 20 0 DFADMP CCOCCOCc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000268846057 207012957 /nfs/dbraw/zinc/01/29/57/207012957.db2.gz VMDNQFGAJQVEQA-APWZRJJASA-N 2 1 320.477 2.812 20 0 DFADMP CCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268879640 207049596 /nfs/dbraw/zinc/04/95/96/207049596.db2.gz XJSLDZPYRRCMAX-DOTOQJQBSA-N 2 1 306.450 2.583 20 0 DFADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000268882351 207052755 /nfs/dbraw/zinc/05/27/55/207052755.db2.gz YDDKFFWWBKSZIA-GOSISDBHSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623484969 399399859 /nfs/dbraw/zinc/39/98/59/399399859.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484969 399399862 /nfs/dbraw/zinc/39/98/62/399399862.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484969 399399864 /nfs/dbraw/zinc/39/98/64/399399864.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484969 399399865 /nfs/dbraw/zinc/39/98/65/399399865.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484969 399399867 /nfs/dbraw/zinc/39/98/67/399399867.db2.gz JBMAHAJTQGCWRQ-FUHWJXTLSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268891463 207060502 /nfs/dbraw/zinc/06/05/02/207060502.db2.gz JUTUIDGGNIWLFM-WTLGNFPFSA-N 2 1 320.477 2.826 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422640030 296317724 /nfs/dbraw/zinc/31/77/24/296317724.db2.gz UNYNRRNFOUTDJM-YDHLFZDLSA-N 2 1 321.440 2.768 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000623502848 399403391 /nfs/dbraw/zinc/40/33/91/399403391.db2.gz AWUDQEOWMFREKD-RDJZCZTQSA-N 2 1 321.509 2.773 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000623502848 399403395 /nfs/dbraw/zinc/40/33/95/399403395.db2.gz AWUDQEOWMFREKD-RDJZCZTQSA-N 2 1 321.509 2.773 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000623502847 399403516 /nfs/dbraw/zinc/40/35/16/399403516.db2.gz AWUDQEOWMFREKD-NVXWUHKLSA-N 2 1 321.509 2.773 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000623502847 399403519 /nfs/dbraw/zinc/40/35/19/399403519.db2.gz AWUDQEOWMFREKD-NVXWUHKLSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000422698554 296318268 /nfs/dbraw/zinc/31/82/68/296318268.db2.gz ZXDYMSZFLHWJNH-JFIYKMOQSA-N 2 1 315.461 2.692 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268926937 207093608 /nfs/dbraw/zinc/09/36/08/207093608.db2.gz YJOUACZWPXBUOR-OWYHZJEWSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268926937 207093612 /nfs/dbraw/zinc/09/36/12/207093612.db2.gz YJOUACZWPXBUOR-OWYHZJEWSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCSCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000268930022 207095116 /nfs/dbraw/zinc/09/51/16/207095116.db2.gz ZDSDROSUPKUHPI-AEFFLSMTSA-N 2 1 322.518 2.745 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCSCCCO)CC[N@H+]1Cc1ccccc1 ZINC000268930022 207095119 /nfs/dbraw/zinc/09/51/19/207095119.db2.gz ZDSDROSUPKUHPI-AEFFLSMTSA-N 2 1 322.518 2.745 20 0 DFADMP CN(CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000422711067 296319607 /nfs/dbraw/zinc/31/96/07/296319607.db2.gz MEVBTWHWYKSKDT-LSDHHAIUSA-N 2 1 315.383 2.563 20 0 DFADMP CC[C@H](NC[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422714534 296320515 /nfs/dbraw/zinc/32/05/15/296320515.db2.gz LAEUDFQBQBFEIS-MNEFBYGVSA-N 2 1 301.478 2.553 20 0 DFADMP C[C@@H](NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422711315 296320047 /nfs/dbraw/zinc/32/00/47/296320047.db2.gz GWYQWRAUYRUKIO-LZWOXQAQSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@@H](NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422711315 296320048 /nfs/dbraw/zinc/32/00/48/296320048.db2.gz GWYQWRAUYRUKIO-LZWOXQAQSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422718535 296321029 /nfs/dbraw/zinc/32/10/29/296321029.db2.gz PWAXDVLAWVLGKX-SXLOBPIMSA-N 2 1 315.505 2.671 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000422717092 296321101 /nfs/dbraw/zinc/32/11/01/296321101.db2.gz VJOIERZLHZWAFG-GJZGRUSLSA-N 3 1 304.482 2.621 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CCC[C@H]2[NH3+])cc1OC1CCCC1 ZINC000422713930 296320641 /nfs/dbraw/zinc/32/06/41/296320641.db2.gz QEIQHGDFHMFFKI-CVEARBPZSA-N 2 1 304.434 2.986 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953984 207118497 /nfs/dbraw/zinc/11/84/97/207118497.db2.gz SYBVQBHRNDBFCA-SWLSCSKDSA-N 2 1 304.463 2.853 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953984 207118501 /nfs/dbraw/zinc/11/85/01/207118501.db2.gz SYBVQBHRNDBFCA-SWLSCSKDSA-N 2 1 304.463 2.853 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3nsnc32)[C@@H](C)C1 ZINC000268953984 207118505 /nfs/dbraw/zinc/11/85/05/207118505.db2.gz SYBVQBHRNDBFCA-SWLSCSKDSA-N 2 1 304.463 2.853 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3ccncc3)C2)CC1(C)C ZINC000623540008 399411768 /nfs/dbraw/zinc/41/17/68/399411768.db2.gz GWLCTPMFIWXKEG-YESZJQIVSA-N 2 1 303.450 2.764 20 0 DFADMP COc1cccc(N2CC[C@@H](C[NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000157475145 197190392 /nfs/dbraw/zinc/19/03/92/197190392.db2.gz QLHMAVREELRQGM-IKGGRYGDSA-N 2 1 317.477 2.594 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cccc3n[nH]cc32)[C@H](c2ccccc2)C1 ZINC000623557921 399415767 /nfs/dbraw/zinc/41/57/67/399415767.db2.gz LSYBIQHCNAWIAQ-MJGOQNOKSA-N 2 1 320.440 2.998 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012517 207166073 /nfs/dbraw/zinc/16/60/73/207166073.db2.gz NTUHRLLWBFDWLS-HZPDHXFCSA-N 2 1 307.482 2.618 20 0 DFADMP C[C@H](CCN(C)C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012517 207166082 /nfs/dbraw/zinc/16/60/82/207166082.db2.gz NTUHRLLWBFDWLS-HZPDHXFCSA-N 2 1 307.482 2.618 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)[C@@H](C)C1 ZINC000269021723 207172193 /nfs/dbraw/zinc/17/21/93/207172193.db2.gz QDBOIBFUTJFNKQ-CAMMJAKZSA-N 2 1 304.478 2.861 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)c1)O[C@H](C)C2 ZINC000623655627 399435773 /nfs/dbraw/zinc/43/57/73/399435773.db2.gz APENYFXFZMPBAI-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)c1)O[C@H](C)C2 ZINC000623655627 399435775 /nfs/dbraw/zinc/43/57/75/399435775.db2.gz APENYFXFZMPBAI-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP COCCOCc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623657042 399436323 /nfs/dbraw/zinc/43/63/23/399436323.db2.gz IPAOXGGDWNGPRL-LJQANCHMSA-N 2 1 320.477 2.671 20 0 DFADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000269044462 207193362 /nfs/dbraw/zinc/19/33/62/207193362.db2.gz WGVUAXJEWQKHII-LIRRHRJNSA-N 2 1 318.436 2.904 20 0 DFADMP Cc1nn(C)c(Cl)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000061858344 184190135 /nfs/dbraw/zinc/19/01/35/184190135.db2.gz NSMDCMPOJXHAFM-UHFFFAOYSA-N 2 1 310.873 2.690 20 0 DFADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137065 207268035 /nfs/dbraw/zinc/26/80/35/207268035.db2.gz UHXCYVJMQQWIHV-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)on1 ZINC000602513761 399465445 /nfs/dbraw/zinc/46/54/45/399465445.db2.gz IMAVAZJKXUJQEY-AWEZNQCLSA-N 2 1 323.437 2.596 20 0 DFADMP CC1(C)C[C@@H](NCc2ccc[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000623777488 399464209 /nfs/dbraw/zinc/46/42/09/399464209.db2.gz HEDDUBZZVWXDSN-QGZVFWFLSA-N 2 1 311.429 2.930 20 0 DFADMP CC1(C)C[C@@H](NCc2ccc[nH]c2=O)C[N@H+]1Cc1ccccc1 ZINC000623777488 399464213 /nfs/dbraw/zinc/46/42/13/399464213.db2.gz HEDDUBZZVWXDSN-QGZVFWFLSA-N 2 1 311.429 2.930 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000269133608 207265671 /nfs/dbraw/zinc/26/56/71/207265671.db2.gz NPVFEIVGVNUQMS-OAHLLOKOSA-N 2 1 311.429 2.865 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000269133608 207265676 /nfs/dbraw/zinc/26/56/76/207265676.db2.gz NPVFEIVGVNUQMS-OAHLLOKOSA-N 2 1 311.429 2.865 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)cc1C ZINC000602512368 399465081 /nfs/dbraw/zinc/46/50/81/399465081.db2.gz ASRGBECCMKEHQT-AWEZNQCLSA-N 2 1 321.465 2.711 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137065 207268029 /nfs/dbraw/zinc/26/80/29/207268029.db2.gz UHXCYVJMQQWIHV-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137065 207268031 /nfs/dbraw/zinc/26/80/31/207268031.db2.gz UHXCYVJMQQWIHV-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)cc1 ZINC000269177979 207297699 /nfs/dbraw/zinc/29/76/99/207297699.db2.gz GGXWMVCDYSJQJX-UHFFFAOYSA-N 2 1 317.477 2.729 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc1C ZINC000602543728 399471519 /nfs/dbraw/zinc/47/15/19/399471519.db2.gz GBEPQXFHBZAIOK-CQSZACIVSA-N 2 1 309.454 2.566 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422744899 296325361 /nfs/dbraw/zinc/32/53/61/296325361.db2.gz UIQCLGVMDFLKMK-HSALFYBXSA-N 2 1 310.441 2.673 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])N2CCCC2)c1 ZINC000422751078 296326511 /nfs/dbraw/zinc/32/65/11/296326511.db2.gz CCHKZRXMGJJIRR-QRQLOZEOSA-N 2 1 317.477 2.549 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422752840 296326869 /nfs/dbraw/zinc/32/68/69/296326869.db2.gz HOQUYZGXWJLHBZ-BHIYHBOVSA-N 2 1 317.477 2.562 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000422752743 296326964 /nfs/dbraw/zinc/32/69/64/296326964.db2.gz FIEFGXWSQPXJOE-MJGOQNOKSA-N 2 1 317.477 2.564 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422760016 296328131 /nfs/dbraw/zinc/32/81/31/296328131.db2.gz LKAQVLAVVWGNFV-FCEWJHQRSA-N 2 1 317.477 2.784 20 0 DFADMP CCOc1ccc(CC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OCC ZINC000422757554 296327688 /nfs/dbraw/zinc/32/76/88/296327688.db2.gz JQJFVCWCYJIWOX-HOCLYGCPSA-N 2 1 306.450 2.614 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422767147 296329701 /nfs/dbraw/zinc/32/97/01/296329701.db2.gz YEOXJIRJTLCSJO-QRQLOZEOSA-N 2 1 317.477 2.549 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422765210 296329248 /nfs/dbraw/zinc/32/92/48/296329248.db2.gz QPVIBZJZOCWMKP-BHYGNILZSA-N 2 1 305.441 2.833 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766035 296329604 /nfs/dbraw/zinc/32/96/04/296329604.db2.gz RIBYBHBAZXTDTL-NXHRZFHOSA-N 2 1 305.441 2.915 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000422766902 296329752 /nfs/dbraw/zinc/32/97/52/296329752.db2.gz XWMXSWWYHJHNGN-CQSZACIVSA-N 2 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000422781064 296331964 /nfs/dbraw/zinc/33/19/64/296331964.db2.gz KDMPBXFJMJTFSZ-HNNXBMFYSA-N 3 1 304.482 2.621 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)Oc1ccc(OC)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422781528 296331868 /nfs/dbraw/zinc/33/18/68/296331868.db2.gz FFBLHKRYVIGTDM-WBAXXEDZSA-N 2 1 306.450 2.973 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422778403 296331539 /nfs/dbraw/zinc/33/15/39/296331539.db2.gz HKLICRUAPYSASD-FGTMMUONSA-N 3 1 304.482 2.872 20 0 DFADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623887207 399487727 /nfs/dbraw/zinc/48/77/27/399487727.db2.gz XEFLJLMUSVGAGD-SFHVURJKSA-N 2 1 317.477 2.508 20 0 DFADMP O=C1[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCCN1c1ccccc1Cl ZINC000422782102 296331795 /nfs/dbraw/zinc/33/17/95/296331795.db2.gz MUVIJZGNWHBWRK-DZGCQCFKSA-N 2 1 321.852 2.567 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)Oc1ccccc1OC)[C@H]1CCCC[NH2+]1 ZINC000422787427 296332505 /nfs/dbraw/zinc/33/25/05/296332505.db2.gz MAXVYZHCFIAINW-HRCADAONSA-N 2 1 306.450 2.973 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)Oc1ccccc1OC)[C@@H]1CCCC[NH2+]1 ZINC000422787430 296332588 /nfs/dbraw/zinc/33/25/88/296332588.db2.gz MAXVYZHCFIAINW-PMPSAXMXSA-N 2 1 306.450 2.973 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CCCCO3)C2)nc(C)[nH+]1 ZINC000623935701 399498494 /nfs/dbraw/zinc/49/84/94/399498494.db2.gz MWHBETDOCHLFTK-HYVNUMGLSA-N 2 1 318.465 2.609 20 0 DFADMP Clc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000422816011 296338141 /nfs/dbraw/zinc/33/81/41/296338141.db2.gz CWWHLFYWEINJCK-OWCLPIDISA-N 2 1 318.852 2.998 20 0 DFADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841712 399506649 /nfs/dbraw/zinc/50/66/49/399506649.db2.gz OTRBOQIHKFEPSB-MDZLAQPJSA-N 2 1 320.824 2.978 20 0 DFADMP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841712 399506653 /nfs/dbraw/zinc/50/66/53/399506653.db2.gz OTRBOQIHKFEPSB-MDZLAQPJSA-N 2 1 320.824 2.978 20 0 DFADMP C[C@@H](CCN[C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818516 296339165 /nfs/dbraw/zinc/33/91/65/296339165.db2.gz GOMMXGSQLLFNDW-ZIFCJYIRSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422818516 296339166 /nfs/dbraw/zinc/33/91/66/296339166.db2.gz GOMMXGSQLLFNDW-ZIFCJYIRSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818516 296339168 /nfs/dbraw/zinc/33/91/68/296339168.db2.gz GOMMXGSQLLFNDW-ZIFCJYIRSA-N 3 1 303.494 2.875 20 0 DFADMP CCC[N@@H+](CC)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823572 296339629 /nfs/dbraw/zinc/33/96/29/296339629.db2.gz LUAMPNVPYLCLBX-HKUYNNGSSA-N 2 1 317.477 2.564 20 0 DFADMP CCCN(CC)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823572 296339630 /nfs/dbraw/zinc/33/96/30/296339630.db2.gz LUAMPNVPYLCLBX-HKUYNNGSSA-N 2 1 317.477 2.564 20 0 DFADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846248 399507773 /nfs/dbraw/zinc/50/77/73/399507773.db2.gz WXXPFNYYUGVBSM-AUUYWEPGSA-N 2 1 321.428 2.898 20 0 DFADMP CC[C@H]([NH2+]CCc1cnn(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000422821495 296339362 /nfs/dbraw/zinc/33/93/62/296339362.db2.gz WORKFCAIMJWTIR-RBUKOAKNSA-N 2 1 312.461 2.925 20 0 DFADMP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829925 296340770 /nfs/dbraw/zinc/34/07/70/296340770.db2.gz CHLFDGWEEMZUNL-HZPDHXFCSA-N 2 1 307.507 2.692 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829925 296340771 /nfs/dbraw/zinc/34/07/71/296340771.db2.gz CHLFDGWEEMZUNL-HZPDHXFCSA-N 2 1 307.507 2.692 20 0 DFADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829925 296340773 /nfs/dbraw/zinc/34/07/73/296340773.db2.gz CHLFDGWEEMZUNL-HZPDHXFCSA-N 3 1 307.507 2.692 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829925 296340775 /nfs/dbraw/zinc/34/07/75/296340775.db2.gz CHLFDGWEEMZUNL-HZPDHXFCSA-N 3 1 307.507 2.692 20 0 DFADMP c1c(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc2n1CCCC2 ZINC000422831147 296341002 /nfs/dbraw/zinc/34/10/02/296341002.db2.gz JFENKKCAHLLOIX-MJGOQNOKSA-N 2 1 324.472 2.845 20 0 DFADMP c1c(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)nc2n1CCCC2 ZINC000422831145 296341082 /nfs/dbraw/zinc/34/10/82/296341082.db2.gz JFENKKCAHLLOIX-HKUYNNGSSA-N 2 1 324.472 2.845 20 0 DFADMP c1cc(CNC2CC[NH2+]CC2)cc(C[NH+]2CCCCCC2)c1 ZINC000422826997 296340353 /nfs/dbraw/zinc/34/03/53/296340353.db2.gz MHNSHMJHQREDQV-UHFFFAOYSA-N 2 1 301.478 2.904 20 0 DFADMP C[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833296 296341497 /nfs/dbraw/zinc/34/14/97/296341497.db2.gz MHHPGCXAJBCADQ-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000347016087 285004070 /nfs/dbraw/zinc/00/40/70/285004070.db2.gz OGBYZIKTGDIGEJ-OAGGEKHMSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000422862116 296346403 /nfs/dbraw/zinc/34/64/03/296346403.db2.gz NKUBCIQLQRLFFB-DWRORGKVSA-N 2 1 303.494 2.797 20 0 DFADMP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+]1CCCC[C@H]1C ZINC000422862118 296346460 /nfs/dbraw/zinc/34/64/60/296346460.db2.gz NKUBCIQLQRLFFB-VXNCWWDNSA-N 2 1 303.494 2.797 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CCCCC[C@@H]1[NH3+] ZINC000422861319 296346496 /nfs/dbraw/zinc/34/64/96/296346496.db2.gz JAUKGCYEFCIIQA-IRXDYDNUSA-N 2 1 306.450 2.770 20 0 DFADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(O[C@H]2CCOC2)c1 ZINC000422872582 296348086 /nfs/dbraw/zinc/34/80/86/296348086.db2.gz HQZPQSFKCHVBGT-WFFDWFOESA-N 2 1 316.445 2.535 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422868739 296347317 /nfs/dbraw/zinc/34/73/17/296347317.db2.gz VTWLPEVIWCDYSG-ATZDWAIDSA-N 2 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422868739 296347318 /nfs/dbraw/zinc/34/73/18/296347318.db2.gz VTWLPEVIWCDYSG-ATZDWAIDSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422868739 296347320 /nfs/dbraw/zinc/34/73/20/296347320.db2.gz VTWLPEVIWCDYSG-ATZDWAIDSA-N 3 1 301.478 2.888 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874535 296348436 /nfs/dbraw/zinc/34/84/36/296348436.db2.gz AIBAONOFTUJNFB-FZKCQIBNSA-N 2 1 318.509 2.866 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000422874535 296348438 /nfs/dbraw/zinc/34/84/38/296348438.db2.gz AIBAONOFTUJNFB-FZKCQIBNSA-N 2 1 318.509 2.866 20 0 DFADMP C[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422873758 296348442 /nfs/dbraw/zinc/34/84/42/296348442.db2.gz MBFOMZVZAUHZIA-NEPXVJNWSA-N 2 1 301.478 2.770 20 0 DFADMP CC[N@@H+](CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883881 296349998 /nfs/dbraw/zinc/34/99/98/296349998.db2.gz VUXALTNBLLUYTR-PKOBYXMFSA-N 2 1 317.477 2.562 20 0 DFADMP CCN(CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883881 296349999 /nfs/dbraw/zinc/34/99/99/296349999.db2.gz VUXALTNBLLUYTR-PKOBYXMFSA-N 2 1 317.477 2.562 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000119616184 195002345 /nfs/dbraw/zinc/00/23/45/195002345.db2.gz ISRBXGUOHIIVJI-CYBMUJFWSA-N 2 1 319.430 2.704 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)s1 ZINC000119616184 195002348 /nfs/dbraw/zinc/00/23/48/195002348.db2.gz ISRBXGUOHIIVJI-CYBMUJFWSA-N 2 1 319.430 2.704 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@H]1CCCC[NH2+]1 ZINC000422888867 296351302 /nfs/dbraw/zinc/35/13/02/296351302.db2.gz OEYALVACLPCKBF-FGTMMUONSA-N 2 1 321.509 2.678 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422892554 296351834 /nfs/dbraw/zinc/35/18/34/296351834.db2.gz NHAPWHUGIXCOFT-IAGOWNOFSA-N 2 1 303.450 2.576 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422893935 296351920 /nfs/dbraw/zinc/35/19/20/296351920.db2.gz ROUYIUZGZUPOJY-FZMZJTMJSA-N 2 1 302.340 2.715 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422904233 296353788 /nfs/dbraw/zinc/35/37/88/296353788.db2.gz GKZYDLCNZREVFJ-ZYSHUDEJSA-N 2 1 319.493 2.808 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCC[NH3+])CC2)cs1 ZINC000422914520 296355259 /nfs/dbraw/zinc/35/52/59/296355259.db2.gz UPBCGAIXXSEYPR-AWEZNQCLSA-N 3 1 324.538 2.635 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917740 296355623 /nfs/dbraw/zinc/35/56/23/296355623.db2.gz GSCNJXYQOKQZJS-MNOVXSKESA-N 2 1 323.746 2.602 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917741 296355640 /nfs/dbraw/zinc/35/56/40/296355640.db2.gz GSCNJXYQOKQZJS-QWRGUYRKSA-N 2 1 323.746 2.602 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422908675 296354757 /nfs/dbraw/zinc/35/47/57/296354757.db2.gz YYRKLDDVOSZGOQ-HOTGVXAUSA-N 2 1 302.397 2.761 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422930023 296356772 /nfs/dbraw/zinc/35/67/72/296356772.db2.gz ATLRQLJZJSLPEM-RHSMWYFYSA-N 2 1 310.445 2.578 20 0 DFADMP CCNC(=O)c1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)c1 ZINC000422933585 296357082 /nfs/dbraw/zinc/35/70/82/296357082.db2.gz BJSFPAAWYGRFDM-YJBOKZPZSA-N 2 1 317.477 2.837 20 0 DFADMP CCNC(=O)c1cccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422933583 296357236 /nfs/dbraw/zinc/35/72/36/296357236.db2.gz BJSFPAAWYGRFDM-MAUKXSAKSA-N 2 1 317.477 2.837 20 0 DFADMP c1ccc(CCOCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887044 399518239 /nfs/dbraw/zinc/51/82/39/399518239.db2.gz LPJZEQWDMZZNJC-MOPGFXCFSA-N 2 1 302.462 2.710 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887044 399518247 /nfs/dbraw/zinc/51/82/47/399518247.db2.gz LPJZEQWDMZZNJC-MOPGFXCFSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347501852 285060845 /nfs/dbraw/zinc/06/08/45/285060845.db2.gz MUYWVOYFWFDPCK-AWEZNQCLSA-N 2 1 315.461 2.530 20 0 DFADMP CC(C)[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422947741 296359354 /nfs/dbraw/zinc/35/93/54/296359354.db2.gz YSJOBVSAFFPOLF-VDGAXYAQSA-N 2 1 315.505 2.799 20 0 DFADMP CSc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887590 399519983 /nfs/dbraw/zinc/51/99/83/399519983.db2.gz PEFXATZKAATOIR-WMLDXEAASA-N 2 1 306.475 2.861 20 0 DFADMP c1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CCC2 ZINC000422964347 296361797 /nfs/dbraw/zinc/36/17/97/296361797.db2.gz IKWAGWWCTDHXON-KSZLIROESA-N 2 1 310.445 2.843 20 0 DFADMP COc1ccc([C@H]([NH2+]CC(C)(C)CCCO)[C@H]2CCC[NH2+]2)cc1 ZINC000422984738 296364394 /nfs/dbraw/zinc/36/43/94/296364394.db2.gz BIXIDMWIJKEEEY-MSOLQXFVSA-N 2 1 320.477 2.877 20 0 DFADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000422993777 296364831 /nfs/dbraw/zinc/36/48/31/296364831.db2.gz GFGKAOIPCHOCCQ-IDHHARJASA-N 2 1 312.461 2.842 20 0 DFADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423001413 296366054 /nfs/dbraw/zinc/36/60/54/296366054.db2.gz WXVITGPUNOOMOL-GUDVDZBRSA-N 2 1 314.473 2.756 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423006185 296366587 /nfs/dbraw/zinc/36/65/87/296366587.db2.gz UKOKCNONOARTNY-XGXHKWSGSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000423006185 296366588 /nfs/dbraw/zinc/36/65/88/296366588.db2.gz UKOKCNONOARTNY-XGXHKWSGSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@@H]2N)C[N@H+]1Cc1ccccc1 ZINC000423006185 296366590 /nfs/dbraw/zinc/36/65/90/296366590.db2.gz UKOKCNONOARTNY-XGXHKWSGSA-N 2 1 301.478 2.757 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000625378476 399538497 /nfs/dbraw/zinc/53/84/97/399538497.db2.gz ICEHWEJMMSUGCF-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@H](C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378476 399538499 /nfs/dbraw/zinc/53/84/99/399538499.db2.gz ICEHWEJMMSUGCF-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378476 399538502 /nfs/dbraw/zinc/53/85/02/399538502.db2.gz ICEHWEJMMSUGCF-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@H](C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378476 399538506 /nfs/dbraw/zinc/53/85/06/399538506.db2.gz ICEHWEJMMSUGCF-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@H](C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378476 399538508 /nfs/dbraw/zinc/53/85/08/399538508.db2.gz ICEHWEJMMSUGCF-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CC(C)CSCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423016873 296368154 /nfs/dbraw/zinc/36/81/54/296368154.db2.gz UVLMLVIBHHDACB-XHSDSOJGSA-N 2 1 300.512 2.512 20 0 DFADMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000423017926 296368588 /nfs/dbraw/zinc/36/85/88/296368588.db2.gz PXCXWBXEOXKXAP-IPMKNSEASA-N 2 1 314.473 2.538 20 0 DFADMP COc1ccccc1OC[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423022476 296368809 /nfs/dbraw/zinc/36/88/09/296368809.db2.gz HSOPZBABBBMTIZ-KBPBESRZSA-N 2 1 315.417 2.868 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@@H](CCO)c1ccccc1Br ZINC000423029031 296369687 /nfs/dbraw/zinc/36/96/87/296369687.db2.gz HLGWLYBSXYXNMR-WDMOLILDSA-N 2 1 315.255 2.588 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077849 399545131 /nfs/dbraw/zinc/54/51/31/399545131.db2.gz FBKJHWNGOXITST-RDJZCZTQSA-N 2 1 302.466 2.794 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624077849 399545133 /nfs/dbraw/zinc/54/51/33/399545133.db2.gz FBKJHWNGOXITST-RDJZCZTQSA-N 2 1 302.466 2.794 20 0 DFADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423046754 296371574 /nfs/dbraw/zinc/37/15/74/296371574.db2.gz UMYIVEZOOYHCEO-MSOLQXFVSA-N 3 1 301.478 2.801 20 0 DFADMP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423054356 296372697 /nfs/dbraw/zinc/37/26/97/296372697.db2.gz UOIIYSMOFZKFSQ-OJLVUWQFSA-N 2 1 306.475 2.872 20 0 DFADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423055534 296372792 /nfs/dbraw/zinc/37/27/92/296372792.db2.gz DDIMZGHSRKNZBQ-PWRODBHTSA-N 2 1 324.468 2.981 20 0 DFADMP C[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059356 296373294 /nfs/dbraw/zinc/37/32/94/296373294.db2.gz FKIDQLCDZVIJQG-AYOQOUSVSA-N 2 1 301.478 2.627 20 0 DFADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423062061 296373447 /nfs/dbraw/zinc/37/34/47/296373447.db2.gz SFDPWSCIVUCIQD-PWRODBHTSA-N 2 1 324.468 2.981 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423058415 296373097 /nfs/dbraw/zinc/37/30/97/296373097.db2.gz CFWWRJDNOYCVBX-JIRNRHONSA-N 2 1 313.489 2.770 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423058415 296373100 /nfs/dbraw/zinc/37/31/00/296373100.db2.gz CFWWRJDNOYCVBX-JIRNRHONSA-N 2 1 313.489 2.770 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423058416 296373112 /nfs/dbraw/zinc/37/31/12/296373112.db2.gz CFWWRJDNOYCVBX-XNMUZJSGSA-N 2 1 313.489 2.770 20 0 DFADMP CN(Cc1ccccc1)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CC1 ZINC000423058416 296373114 /nfs/dbraw/zinc/37/31/14/296373114.db2.gz CFWWRJDNOYCVBX-XNMUZJSGSA-N 2 1 313.489 2.770 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000159225376 197337971 /nfs/dbraw/zinc/33/79/71/197337971.db2.gz HVOOTFXAKBMHMF-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1C ZINC000159225376 197337973 /nfs/dbraw/zinc/33/79/73/197337973.db2.gz HVOOTFXAKBMHMF-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP CC[C@H]([NH2+]C[C@@](C)(CO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423070579 296374933 /nfs/dbraw/zinc/37/49/33/296374933.db2.gz GGQQATQGJVBVGT-OTWHNJEPSA-N 2 1 304.478 2.738 20 0 DFADMP C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423070907 296374891 /nfs/dbraw/zinc/37/48/91/296374891.db2.gz GXMWWHDANFKZRL-PBWTXFEYSA-N 2 1 304.478 2.736 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+]1C ZINC000624100796 399553412 /nfs/dbraw/zinc/55/34/12/399553412.db2.gz HUCGMDJAFBCCKP-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[N@@H+]1C ZINC000624100796 399553414 /nfs/dbraw/zinc/55/34/14/399553414.db2.gz HUCGMDJAFBCCKP-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000624100796 399553418 /nfs/dbraw/zinc/55/34/18/399553418.db2.gz HUCGMDJAFBCCKP-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000624100796 399553420 /nfs/dbraw/zinc/55/34/20/399553420.db2.gz HUCGMDJAFBCCKP-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000624100796 399553424 /nfs/dbraw/zinc/55/34/24/399553424.db2.gz HUCGMDJAFBCCKP-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423087380 296376641 /nfs/dbraw/zinc/37/66/41/296376641.db2.gz PJOYJQYLZXEFAC-WZGPROSRSA-N 2 1 318.436 2.950 20 0 DFADMP C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423087227 296376813 /nfs/dbraw/zinc/37/68/13/296376813.db2.gz NKNPCMJLDIXUQT-BARLLCKDSA-N 2 1 302.462 2.663 20 0 DFADMP C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCC[NH2+]1 ZINC000423082825 296376382 /nfs/dbraw/zinc/37/63/82/296376382.db2.gz XUTOALVHQXHYGK-DGCLKSJQSA-N 2 1 317.355 2.599 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000616995511 399558581 /nfs/dbraw/zinc/55/85/81/399558581.db2.gz STTVUTPQGITTDD-MRXNPFEDSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(Br)cc1F ZINC000423113357 296380180 /nfs/dbraw/zinc/38/01/80/296380180.db2.gz UEXQTAYJEXYECQ-RKDXNWHRSA-N 2 1 301.203 2.847 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000616997977 399560710 /nfs/dbraw/zinc/56/07/10/399560710.db2.gz DPYXZCMDXBSCLJ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000616997977 399560716 /nfs/dbraw/zinc/56/07/16/399560716.db2.gz DPYXZCMDXBSCLJ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000616997977 399560721 /nfs/dbraw/zinc/56/07/21/399560721.db2.gz DPYXZCMDXBSCLJ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)ccc2[nH]1 ZINC000423110572 296379608 /nfs/dbraw/zinc/37/96/08/296379608.db2.gz PEKLWOFXVRZRCP-BHIYHBOVSA-N 2 1 313.445 2.723 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C2 ZINC000624122955 399561490 /nfs/dbraw/zinc/56/14/90/399561490.db2.gz BPPVXAIQJRWRLW-RDJZCZTQSA-N 2 1 302.462 2.874 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@@H]1CC[NH+](C(C)(C)C)C1)C1CCCCC1 ZINC000617000171 399561537 /nfs/dbraw/zinc/56/15/37/399561537.db2.gz UYLRKXPDSLJELM-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+](CCC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)C1CCCCC1 ZINC000617000171 399561542 /nfs/dbraw/zinc/56/15/42/399561542.db2.gz UYLRKXPDSLJELM-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+](CCC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)C1CCCCC1 ZINC000617000171 399561547 /nfs/dbraw/zinc/56/15/47/399561547.db2.gz UYLRKXPDSLJELM-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423112615 296380122 /nfs/dbraw/zinc/38/01/22/296380122.db2.gz SFMUWUQOBGCXCG-HTQZYQBOSA-N 2 1 307.182 2.943 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCOC[C@@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423112882 296380128 /nfs/dbraw/zinc/38/01/28/296380128.db2.gz SPYUDQKMBXUGHV-CBVHJVASSA-N 2 1 318.461 2.751 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119137 296380575 /nfs/dbraw/zinc/38/05/75/296380575.db2.gz BGXKZJYVUUHIOS-KVSKMBFKSA-N 2 1 317.477 2.561 20 0 DFADMP CC(C)N(C)C[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119137 296380576 /nfs/dbraw/zinc/38/05/76/296380576.db2.gz BGXKZJYVUUHIOS-KVSKMBFKSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423121157 296381262 /nfs/dbraw/zinc/38/12/62/296381262.db2.gz IAROMUMMZOARHZ-WBAXXEDZSA-N 2 1 300.446 2.811 20 0 DFADMP C[C@@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423126115 296381701 /nfs/dbraw/zinc/38/17/01/296381701.db2.gz ARKVAGXRGVFYBX-OMZCGLGVSA-N 2 1 314.473 2.927 20 0 DFADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C2CC2)cc1 ZINC000423134059 296382521 /nfs/dbraw/zinc/38/25/21/296382521.db2.gz RNTAVYWSWQXWDB-HAGHYFMRSA-N 2 1 314.473 2.927 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423133811 296382817 /nfs/dbraw/zinc/38/28/17/296382817.db2.gz DAIXYOSJIKUYPC-KGLIPLIRSA-N 2 1 314.408 2.810 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617004230 399565839 /nfs/dbraw/zinc/56/58/39/399565839.db2.gz NJBATMRXJASRSN-LSDHHAIUSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617004230 399565845 /nfs/dbraw/zinc/56/58/45/399565845.db2.gz NJBATMRXJASRSN-LSDHHAIUSA-N 2 1 320.481 2.633 20 0 DFADMP CSc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000423148588 296384952 /nfs/dbraw/zinc/38/49/52/296384952.db2.gz WBGDGHNJVBYFBV-ONYGOOLBSA-N 2 1 319.518 2.884 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000423142922 296384387 /nfs/dbraw/zinc/38/43/87/296384387.db2.gz BQMWPMPDLUZPKV-OLMNPRSZSA-N 2 1 321.534 2.989 20 0 DFADMP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)[C@H]1CC[NH2+]C1 ZINC000423146792 296384728 /nfs/dbraw/zinc/38/47/28/296384728.db2.gz QKPXPGFIOYGKIR-OLZOCXBDSA-N 2 1 304.825 2.613 20 0 DFADMP CSCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423158299 296386313 /nfs/dbraw/zinc/38/63/13/296386313.db2.gz NVWFZJQPNFPLEA-IRKLFDGPSA-N 2 1 312.523 2.655 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3CCC(=O)CC3)CC2)C[C@H](C)O1 ZINC000347744744 285156110 /nfs/dbraw/zinc/15/61/10/285156110.db2.gz HSUJEKCUTVKYFL-IYBDPMFKSA-N 2 1 322.493 2.567 20 0 DFADMP FCC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCOCC1 ZINC000423153408 296385860 /nfs/dbraw/zinc/38/58/60/296385860.db2.gz NIYKDORFAOVPEQ-IRXDYDNUSA-N 2 1 306.425 2.836 20 0 DFADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423161864 296386736 /nfs/dbraw/zinc/38/67/36/296386736.db2.gz JVKLIWNMSRSYOQ-RYUDHWBXSA-N 2 1 303.381 2.924 20 0 DFADMP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423159335 296386439 /nfs/dbraw/zinc/38/64/39/296386439.db2.gz XZXRWGIUAUIKNS-CYBMUJFWSA-N 2 1 313.214 2.917 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423159219 296386441 /nfs/dbraw/zinc/38/64/41/296386441.db2.gz XPHNFAPQXWUYEB-SJLPKXTDSA-N 2 1 301.478 2.629 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000271658014 209101515 /nfs/dbraw/zinc/10/15/15/209101515.db2.gz WVSNWRDWFUJTOO-MELADBBJSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)o1 ZINC000271658014 209101517 /nfs/dbraw/zinc/10/15/17/209101517.db2.gz WVSNWRDWFUJTOO-MELADBBJSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)o1 ZINC000271658014 209101522 /nfs/dbraw/zinc/10/15/22/209101522.db2.gz WVSNWRDWFUJTOO-MELADBBJSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)o1 ZINC000271658014 209101524 /nfs/dbraw/zinc/10/15/24/209101524.db2.gz WVSNWRDWFUJTOO-MELADBBJSA-N 2 1 306.406 2.543 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)[C@@H]1Oc1ccccc1 ZINC000423181345 296389364 /nfs/dbraw/zinc/38/93/64/296389364.db2.gz OXQADGHNZBMYDT-KURKYZTESA-N 2 1 318.461 2.863 20 0 DFADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423185700 296389819 /nfs/dbraw/zinc/38/98/19/296389819.db2.gz VRFHWSDXHXPQCW-AWEZNQCLSA-N 2 1 320.433 2.551 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)o1 ZINC000617014404 399575608 /nfs/dbraw/zinc/57/56/08/399575608.db2.gz ITMCKVYQNXLMHN-CQSZACIVSA-N 2 1 321.465 2.724 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423195147 296390750 /nfs/dbraw/zinc/39/07/50/296390750.db2.gz SHPWNHIPHGWURQ-YRPNKDGESA-N 3 1 313.489 2.629 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602796947 399578543 /nfs/dbraw/zinc/57/85/43/399578543.db2.gz KXTBJUXRMUYWDZ-OAHLLOKOSA-N 2 1 307.438 2.634 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602796947 399578546 /nfs/dbraw/zinc/57/85/46/399578546.db2.gz KXTBJUXRMUYWDZ-OAHLLOKOSA-N 2 1 307.438 2.634 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423209655 296392695 /nfs/dbraw/zinc/39/26/95/296392695.db2.gz JBZVVEQMJOPWIG-HIFRSBDPSA-N 2 1 316.424 2.970 20 0 DFADMP C[C@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1Cc1ccccc1 ZINC000423209510 296392804 /nfs/dbraw/zinc/39/28/04/296392804.db2.gz GHYGYJQJNQIVPN-UWPGDLITSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423209510 296392805 /nfs/dbraw/zinc/39/28/05/296392805.db2.gz GHYGYJQJNQIVPN-UWPGDLITSA-N 2 1 313.489 2.912 20 0 DFADMP C[NH2+]CCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423201499 296391888 /nfs/dbraw/zinc/39/18/88/296391888.db2.gz PBCNMJVCAPDWQT-VAMGGRTRSA-N 2 1 315.505 2.876 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423201499 296391889 /nfs/dbraw/zinc/39/18/89/296391889.db2.gz PBCNMJVCAPDWQT-VAMGGRTRSA-N 3 1 315.505 2.876 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423201499 296391892 /nfs/dbraw/zinc/39/18/92/296391892.db2.gz PBCNMJVCAPDWQT-VAMGGRTRSA-N 3 1 315.505 2.876 20 0 DFADMP Fc1ccccc1SCCN1CCC([NH+]2CCOCC2)CC1 ZINC000625551885 399585711 /nfs/dbraw/zinc/58/57/11/399585711.db2.gz JSDQQTKBASFNGV-UHFFFAOYSA-N 2 1 324.465 2.714 20 0 DFADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000423250885 296396864 /nfs/dbraw/zinc/39/68/64/296396864.db2.gz REFSAPKCSOKRCY-HKUYNNGSSA-N 2 1 315.505 2.671 20 0 DFADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423263635 296398352 /nfs/dbraw/zinc/39/83/52/296398352.db2.gz BFPMOGRACOEBKA-RBUKOAKNSA-N 2 1 313.445 2.947 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000423259501 296397567 /nfs/dbraw/zinc/39/75/67/296397567.db2.gz DYHUCBSLAUAUBF-WBMJQRKESA-N 2 1 317.433 2.576 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000423259500 296397741 /nfs/dbraw/zinc/39/77/41/296397741.db2.gz DYHUCBSLAUAUBF-MLGOLLRUSA-N 2 1 317.433 2.576 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)n1 ZINC000423260397 296397777 /nfs/dbraw/zinc/39/77/77/296397777.db2.gz HHTVOHKSKHSPGB-GPANFISMSA-N 2 1 306.454 2.901 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000156747198 197137912 /nfs/dbraw/zinc/13/79/12/197137912.db2.gz KXLDSWXUFCOHQK-KRWDZBQOSA-N 2 1 319.836 2.798 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423281453 296400604 /nfs/dbraw/zinc/40/06/04/296400604.db2.gz VNRLCKRGWKTMTR-QWRGUYRKSA-N 2 1 300.830 2.863 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423275347 296399775 /nfs/dbraw/zinc/39/97/75/296399775.db2.gz LSUMBNFYKORWAI-GJZGRUSLSA-N 2 1 309.251 2.633 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000423276504 296399852 /nfs/dbraw/zinc/39/98/52/296399852.db2.gz MYHLKMGLUXSIOX-ZIAGYGMSSA-N 2 1 313.214 2.902 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC[C@@H]([NH+]3CCCC3)CC2)s1 ZINC000347852728 285208509 /nfs/dbraw/zinc/20/85/09/285208509.db2.gz JZZYCFLHKHMXIM-OAHLLOKOSA-N 2 1 322.522 2.655 20 0 DFADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000423313128 296402907 /nfs/dbraw/zinc/40/29/07/296402907.db2.gz FCBIBLAKBGYWEP-STQMWFEESA-N 2 1 313.214 2.902 20 0 DFADMP C[C@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Br)c(F)c1 ZINC000423320658 296404055 /nfs/dbraw/zinc/40/40/55/296404055.db2.gz MJKBNFFPNVPYKQ-SDBXPKJASA-N 2 1 301.203 2.976 20 0 DFADMP CCc1ccc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)cn1 ZINC000347858696 285212203 /nfs/dbraw/zinc/21/22/03/285212203.db2.gz GXWMNNJEKVAVFS-SFHVURJKSA-N 2 1 305.466 2.577 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCOC1 ZINC000423369869 296409435 /nfs/dbraw/zinc/40/94/35/296409435.db2.gz PDZAWKMRZSUPPT-DFEHZGFQSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423371991 296409726 /nfs/dbraw/zinc/40/97/26/296409726.db2.gz QSKCRWPSQRZINR-KPFFTGBYSA-N 3 1 315.505 2.942 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc(OC)c1OC ZINC000423384952 296411249 /nfs/dbraw/zinc/41/12/49/296411249.db2.gz QQNQZJGHMVUTMG-DYEKYZERSA-N 2 1 308.422 2.504 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Oc2ccccc2)cc1 ZINC000423408235 296413352 /nfs/dbraw/zinc/41/33/52/296413352.db2.gz OKACSEBRZAITEK-URLQWDBASA-N 2 1 312.413 2.710 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000347909919 285238780 /nfs/dbraw/zinc/23/87/80/285238780.db2.gz QVABUMAXJGNQPD-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H](CNc1nc(N2Cc3ccccc3C2)cc[nH+]1)C[NH+](C)C ZINC000624238452 399609233 /nfs/dbraw/zinc/60/92/33/399609233.db2.gz RKNWMQWPISWZMC-AWEZNQCLSA-N 2 1 311.433 2.606 20 0 DFADMP CCOC(=O)[C@@H](c1ccccc1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877663 399612684 /nfs/dbraw/zinc/61/26/84/399612684.db2.gz IVQTYTHQIIMWLZ-QGZVFWFLSA-N 2 1 316.445 2.709 20 0 DFADMP CCOC(=O)[C@@H](c1ccccc1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602877663 399612687 /nfs/dbraw/zinc/61/26/87/399612687.db2.gz IVQTYTHQIIMWLZ-QGZVFWFLSA-N 2 1 316.445 2.709 20 0 DFADMP Cc1nccn1CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931218 285253022 /nfs/dbraw/zinc/25/30/22/285253022.db2.gz KUTANTXPSWQTRB-WBVHZDCISA-N 2 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347931218 285253023 /nfs/dbraw/zinc/25/30/23/285253023.db2.gz KUTANTXPSWQTRB-WBVHZDCISA-N 3 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931218 285253025 /nfs/dbraw/zinc/25/30/25/285253025.db2.gz KUTANTXPSWQTRB-WBVHZDCISA-N 3 1 304.482 2.824 20 0 DFADMP Cc1nccn1CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931205 285253090 /nfs/dbraw/zinc/25/30/90/285253090.db2.gz KUTANTXPSWQTRB-DOTOQJQBSA-N 2 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347931205 285253092 /nfs/dbraw/zinc/25/30/92/285253092.db2.gz KUTANTXPSWQTRB-DOTOQJQBSA-N 3 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931205 285253094 /nfs/dbraw/zinc/25/30/94/285253094.db2.gz KUTANTXPSWQTRB-DOTOQJQBSA-N 3 1 304.482 2.824 20 0 DFADMP Cc1cc(C)n(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347935599 285255592 /nfs/dbraw/zinc/25/55/92/285255592.db2.gz PZCVSDICIFBNAV-IAGOWNOFSA-N 2 1 304.482 2.743 20 0 DFADMP Cc1cc(C)n(CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347935598 285255627 /nfs/dbraw/zinc/25/56/27/285255627.db2.gz PZCVSDICIFBNAV-DLBZAZTESA-N 2 1 304.482 2.743 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(-n2cccn2)cc1 ZINC000423487530 296421370 /nfs/dbraw/zinc/42/13/70/296421370.db2.gz VLBOIMPWCVYHNL-UKRRQHHQSA-N 2 1 320.387 2.768 20 0 DFADMP COC(=O)C[C@@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000347961854 285270981 /nfs/dbraw/zinc/27/09/81/285270981.db2.gz OFGCGOHFMGYMNY-MRXNPFEDSA-N 2 1 307.438 2.683 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269901176 285273695 /nfs/dbraw/zinc/27/36/95/285273695.db2.gz GRUYXIQDQXPAJM-SUMWQHHRSA-N 2 1 324.415 2.779 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OC(F)F)cc1 ZINC000423530275 296426848 /nfs/dbraw/zinc/42/68/48/296426848.db2.gz YSBPTYZHSBNEIW-GJZGRUSLSA-N 2 1 314.376 2.707 20 0 DFADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc[nH]c3=O)CC2)C1 ZINC000624257791 399617293 /nfs/dbraw/zinc/61/72/93/399617293.db2.gz QLHHEGPVGGNVMR-WMLDXEAASA-N 2 1 303.450 2.920 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1c(F)ccc2F ZINC000269901167 285290986 /nfs/dbraw/zinc/29/09/86/285290986.db2.gz GRUYXIQDQXPAJM-DYVFJYSZSA-N 2 1 324.415 2.779 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000289569715 221075414 /nfs/dbraw/zinc/07/54/14/221075414.db2.gz ZOYHDZLBSQKTRO-UHFFFAOYSA-N 2 1 324.465 2.963 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc(OC)c(O)c(OC)c1 ZINC000289569715 221075416 /nfs/dbraw/zinc/07/54/16/221075416.db2.gz ZOYHDZLBSQKTRO-UHFFFAOYSA-N 2 1 324.465 2.963 20 0 DFADMP COCCOCc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000289578248 221081234 /nfs/dbraw/zinc/08/12/34/221081234.db2.gz HUBJDOCBVOPGFW-LJQANCHMSA-N 2 1 320.477 2.766 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000289650010 221129998 /nfs/dbraw/zinc/12/99/98/221129998.db2.gz GEDHBVFKXTWFHJ-XUVXKRRUSA-N 2 1 324.472 2.843 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000289669695 221142823 /nfs/dbraw/zinc/14/28/23/221142823.db2.gz IVMIFPHMTKVVQO-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000289669695 221142825 /nfs/dbraw/zinc/14/28/25/221142825.db2.gz IVMIFPHMTKVVQO-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000629512869 399629284 /nfs/dbraw/zinc/62/92/84/399629284.db2.gz FYTQNTQZYOZZIC-MUYACECFSA-N 2 1 314.351 2.509 20 0 DFADMP CCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000078692951 542483408 /nfs/dbraw/zinc/48/34/08/542483408.db2.gz JZYINQZVQYJOLG-BQFCYCMXSA-N 2 1 317.477 2.621 20 0 DFADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000629515924 399631932 /nfs/dbraw/zinc/63/19/32/399631932.db2.gz YMGACXKAAIZQTK-GFEQUFNTSA-N 2 1 314.473 2.925 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000348047662 285316451 /nfs/dbraw/zinc/31/64/51/285316451.db2.gz PAXAVZXMDBWVJL-UHFFFAOYSA-N 2 1 318.396 2.681 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1cccc(F)c1 ZINC000348047662 285316456 /nfs/dbraw/zinc/31/64/56/285316456.db2.gz PAXAVZXMDBWVJL-UHFFFAOYSA-N 2 1 318.396 2.681 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000289803870 221238306 /nfs/dbraw/zinc/23/83/06/221238306.db2.gz MKVXPOUZAMUQEL-QGZVFWFLSA-N 2 1 317.458 2.787 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000629525239 399635148 /nfs/dbraw/zinc/63/51/48/399635148.db2.gz YYIBSLXDQLSUOC-NSHDSACASA-N 2 1 313.239 2.608 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000629528319 399636883 /nfs/dbraw/zinc/63/68/83/399636883.db2.gz WFWYWSZDAJYFRV-XGXHKWSGSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCc2cn[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000289971384 221352200 /nfs/dbraw/zinc/35/22/00/221352200.db2.gz JDLZRKZQDUXMME-VQIMIIECSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCc2cn[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000289971384 221352202 /nfs/dbraw/zinc/35/22/02/221352202.db2.gz JDLZRKZQDUXMME-VQIMIIECSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCc2cn[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000289971384 221352206 /nfs/dbraw/zinc/35/22/06/221352206.db2.gz JDLZRKZQDUXMME-VQIMIIECSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2cn[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000289971384 221352207 /nfs/dbraw/zinc/35/22/07/221352207.db2.gz JDLZRKZQDUXMME-VQIMIIECSA-N 2 1 312.461 2.937 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)c(C)c1OC ZINC000629541740 399641653 /nfs/dbraw/zinc/64/16/53/399641653.db2.gz VBSZHSSCJXNDON-HEHGZKQESA-N 2 1 306.450 2.673 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1OC(C)C ZINC000624357710 399653172 /nfs/dbraw/zinc/65/31/72/399653172.db2.gz CHVCAAMNXDHZRC-OAHLLOKOSA-N 2 1 315.417 2.784 20 0 DFADMP C[N@@H+](CCCOc1ccc2ccccc2c1)CCOCC[NH3+] ZINC000629577474 399653660 /nfs/dbraw/zinc/65/36/60/399653660.db2.gz AFYDRLHNHZGSJD-UHFFFAOYSA-N 2 1 302.418 2.516 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000629585929 399656079 /nfs/dbraw/zinc/65/60/79/399656079.db2.gz HQAXRHMGSXVZQK-FCGDIQPGSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000629585929 399656086 /nfs/dbraw/zinc/65/60/86/399656086.db2.gz HQAXRHMGSXVZQK-FCGDIQPGSA-N 2 1 302.462 2.505 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCc1nsc3ccccc31)C2 ZINC000629595948 399658633 /nfs/dbraw/zinc/65/86/33/399658633.db2.gz UWYBUQASBOJHKN-CALCHBBNSA-N 2 1 301.459 2.770 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCc1nsc3ccccc31)C2 ZINC000629595948 399658637 /nfs/dbraw/zinc/65/86/37/399658637.db2.gz UWYBUQASBOJHKN-CALCHBBNSA-N 2 1 301.459 2.770 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C2 ZINC000629593722 399659016 /nfs/dbraw/zinc/65/90/16/399659016.db2.gz JKFOQKMIUMXRBD-CALCHBBNSA-N 2 1 321.852 2.600 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000629618327 399665102 /nfs/dbraw/zinc/66/51/02/399665102.db2.gz LWVGJGKJDCUHAU-ZWKOTPCHSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000629618327 399665105 /nfs/dbraw/zinc/66/51/05/399665105.db2.gz LWVGJGKJDCUHAU-ZWKOTPCHSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCC12CC2 ZINC000629618318 399665294 /nfs/dbraw/zinc/66/52/94/399665294.db2.gz LWVGJGKJDCUHAU-QZTJIDSGSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCC12CC2 ZINC000629618318 399665299 /nfs/dbraw/zinc/66/52/99/399665299.db2.gz LWVGJGKJDCUHAU-QZTJIDSGSA-N 2 1 302.462 2.649 20 0 DFADMP Fc1ccc([C@@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552070 399645233 /nfs/dbraw/zinc/64/52/33/399645233.db2.gz ZPRVYHZYLASUSB-HUUCEWRRSA-N 2 1 322.399 2.665 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000617347385 399673059 /nfs/dbraw/zinc/67/30/59/399673059.db2.gz LMCLSNPEPIMQJG-HZPDHXFCSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000617347385 399673063 /nfs/dbraw/zinc/67/30/63/399673063.db2.gz LMCLSNPEPIMQJG-HZPDHXFCSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000617347385 399673066 /nfs/dbraw/zinc/67/30/66/399673066.db2.gz LMCLSNPEPIMQJG-HZPDHXFCSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)c(Br)c1 ZINC000629666582 399683151 /nfs/dbraw/zinc/68/31/51/399683151.db2.gz TWQNXBLAOBOISS-UHFFFAOYSA-N 2 1 321.646 2.510 20 0 DFADMP Cc1nn(C)c(N(C)C)c1C[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000624511466 399695775 /nfs/dbraw/zinc/69/57/75/399695775.db2.gz ISABMEDANPDXIC-OAHLLOKOSA-N 2 1 321.513 2.539 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cnc(-c2cccs2)s1 ZINC000629654320 399676257 /nfs/dbraw/zinc/67/62/57/399676257.db2.gz PKEQAALICVTMLX-UHFFFAOYSA-N 2 1 311.476 2.539 20 0 DFADMP C[C@@H]1CC(F)(F)CCN1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000625979724 399708248 /nfs/dbraw/zinc/70/82/48/399708248.db2.gz SQMPBXNRFTWNSR-GDBMZVCRSA-N 2 1 312.404 2.599 20 0 DFADMP C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000625979724 399708255 /nfs/dbraw/zinc/70/82/55/399708255.db2.gz SQMPBXNRFTWNSR-GDBMZVCRSA-N 2 1 312.404 2.599 20 0 DFADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000625979724 399708262 /nfs/dbraw/zinc/70/82/62/399708262.db2.gz SQMPBXNRFTWNSR-GDBMZVCRSA-N 2 1 312.404 2.599 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@@H]32)cc1 ZINC000091978717 542544089 /nfs/dbraw/zinc/54/40/89/542544089.db2.gz ZXFHMWXUQVLZJH-OALUTQOASA-N 2 1 318.461 2.770 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000092486872 542547035 /nfs/dbraw/zinc/54/70/35/542547035.db2.gz ZPZGHVLEMIALHY-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000092486872 542547037 /nfs/dbraw/zinc/54/70/37/542547037.db2.gz ZPZGHVLEMIALHY-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1cccc(-n2ccnn2)c1 ZINC000348082994 285335923 /nfs/dbraw/zinc/33/59/23/285335923.db2.gz JHVZUXQNYTVIFF-AWEZNQCLSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C1CCCC1 ZINC000617506599 399720903 /nfs/dbraw/zinc/72/09/03/399720903.db2.gz SNYJBXJYRPRAGG-HNNXBMFYSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C)(C)C1CCCC1 ZINC000617506599 399720906 /nfs/dbraw/zinc/72/09/06/399720906.db2.gz SNYJBXJYRPRAGG-HNNXBMFYSA-N 2 1 311.514 2.591 20 0 DFADMP CC(C)C[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348089533 285339736 /nfs/dbraw/zinc/33/97/36/285339736.db2.gz VJOATJVDOBCGDD-MJGOQNOKSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)C[C@@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348089533 285339741 /nfs/dbraw/zinc/33/97/41/285339741.db2.gz VJOATJVDOBCGDD-MJGOQNOKSA-N 2 1 304.478 2.895 20 0 DFADMP Cc1cc(C)n(CC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000120948526 195270170 /nfs/dbraw/zinc/27/01/70/195270170.db2.gz MZHMHOLQZIZTKT-SFHVURJKSA-N 2 1 304.482 2.696 20 0 DFADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000121136357 195298099 /nfs/dbraw/zinc/29/80/99/195298099.db2.gz HOMFADLYCJBASZ-KRWDZBQOSA-N 2 1 304.478 2.828 20 0 DFADMP CN(c1nc(C[NH+]2CCC(CC[NH+](C)C)CC2)cs1)C1CC1 ZINC000121836331 195357405 /nfs/dbraw/zinc/35/74/05/195357405.db2.gz WATLNNKOOOEQAA-UHFFFAOYSA-N 2 1 322.522 2.905 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121949515 195379835 /nfs/dbraw/zinc/37/98/35/195379835.db2.gz GLPLAFYKPZIJHY-BBWFWOEESA-N 2 1 303.450 2.909 20 0 DFADMP CC[N@@H+](CCOCC(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063031 399741263 /nfs/dbraw/zinc/74/12/63/399741263.db2.gz OUUBRNQNVYAWHW-UHFFFAOYSA-N 2 1 300.393 2.852 20 0 DFADMP CC[N@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061897 399741859 /nfs/dbraw/zinc/74/18/59/399741859.db2.gz YMHFLAHBMFGUJO-MRXNPFEDSA-N 2 1 319.493 2.731 20 0 DFADMP CC[N@@H+](CC(=O)N[C@H](C)C(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061897 399741860 /nfs/dbraw/zinc/74/18/60/399741860.db2.gz YMHFLAHBMFGUJO-MRXNPFEDSA-N 2 1 319.493 2.731 20 0 DFADMP C[C@@H](NCC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442928 130031684 /nfs/dbraw/zinc/03/16/84/130031684.db2.gz ITYHTARTBMEXLV-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]([NH2+]CCN1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442928 130031690 /nfs/dbraw/zinc/03/16/90/130031690.db2.gz ITYHTARTBMEXLV-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621329581 399756769 /nfs/dbraw/zinc/75/67/69/399756769.db2.gz IQDLZLMGYDPXKA-GOSISDBHSA-N 2 1 312.461 2.557 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621329581 399756777 /nfs/dbraw/zinc/75/67/77/399756777.db2.gz IQDLZLMGYDPXKA-GOSISDBHSA-N 2 1 312.461 2.557 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(N(CC)CC)nc2)CC1 ZINC000126776194 542608107 /nfs/dbraw/zinc/60/81/07/542608107.db2.gz CUQBLJSZYGPQGU-UHFFFAOYSA-N 2 1 304.482 2.892 20 0 DFADMP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000621372706 399774680 /nfs/dbraw/zinc/77/46/80/399774680.db2.gz ZXEFJTUIECFIFD-INIZCTEOSA-N 2 1 303.450 2.692 20 0 DFADMP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000621372706 399774683 /nfs/dbraw/zinc/77/46/83/399774683.db2.gz ZXEFJTUIECFIFD-INIZCTEOSA-N 2 1 303.450 2.692 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000340232280 131238951 /nfs/dbraw/zinc/23/89/51/131238951.db2.gz QFYJKCGXZXOGGY-HHXXYDBFSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000340232280 131238952 /nfs/dbraw/zinc/23/89/52/131238952.db2.gz QFYJKCGXZXOGGY-HHXXYDBFSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000340232280 131238953 /nfs/dbraw/zinc/23/89/53/131238953.db2.gz QFYJKCGXZXOGGY-HHXXYDBFSA-N 2 1 301.478 2.894 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000155431362 542696333 /nfs/dbraw/zinc/69/63/33/542696333.db2.gz OKLNJIOBCNXGNC-UHFFFAOYSA-N 2 1 301.434 2.609 20 0 DFADMP O[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000603556884 399789459 /nfs/dbraw/zinc/78/94/59/399789459.db2.gz FFWAAOBZOCYPJA-RBUKOAKNSA-N 2 1 317.477 2.749 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000161651878 542731845 /nfs/dbraw/zinc/73/18/45/542731845.db2.gz WFNISPQJNPHNNJ-QILLFSRXSA-N 2 1 311.433 2.545 20 0 DFADMP CC(C)[C@@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000166138789 542749899 /nfs/dbraw/zinc/74/98/99/542749899.db2.gz MLSCMVWWBVZJAD-GUDVDZBRSA-N 2 1 307.526 2.959 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000166280774 542751382 /nfs/dbraw/zinc/75/13/82/542751382.db2.gz DXSNQMMYFIVPFS-IEBWSBKVSA-N 2 1 302.462 2.809 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000164571742 542746546 /nfs/dbraw/zinc/74/65/46/542746546.db2.gz OKWLNDKASOGZQO-OLMNPRSZSA-N 2 1 315.461 2.984 20 0 DFADMP COCCOc1cc(C)ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166819912 542752471 /nfs/dbraw/zinc/75/24/71/542752471.db2.gz QDSUIBNKQLDWAY-QZTJIDSGSA-N 2 1 318.461 2.737 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166819912 542752472 /nfs/dbraw/zinc/75/24/72/542752472.db2.gz QDSUIBNKQLDWAY-QZTJIDSGSA-N 2 1 318.461 2.737 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166819912 542752473 /nfs/dbraw/zinc/75/24/73/542752473.db2.gz QDSUIBNKQLDWAY-QZTJIDSGSA-N 2 1 318.461 2.737 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166796910 542752853 /nfs/dbraw/zinc/75/28/53/542752853.db2.gz IIMMSLGFPOJFIV-RBUKOAKNSA-N 3 1 307.526 2.961 20 0 DFADMP [NH3+][C@@H]1[C@H]2Cc3c(cccc3-c3ccc(C[NH+]4CCOCC4)cc3)[C@@H]12 ZINC000630052263 399802728 /nfs/dbraw/zinc/80/27/28/399802728.db2.gz HDJWSWAXRYRVSS-PWRODBHTSA-N 2 1 320.436 2.783 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccccc2nc1C ZINC000179502010 542781037 /nfs/dbraw/zinc/78/10/37/542781037.db2.gz GITDTAYQIBTWTP-UHFFFAOYSA-N 2 1 309.417 2.965 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccccc2nc1C ZINC000179502010 542781039 /nfs/dbraw/zinc/78/10/39/542781039.db2.gz GITDTAYQIBTWTP-UHFFFAOYSA-N 2 1 309.417 2.965 20 0 DFADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935136 542854970 /nfs/dbraw/zinc/85/49/70/542854970.db2.gz AQZHABMFSMPJKR-KRWDZBQOSA-N 2 1 312.461 2.594 20 0 DFADMP CCc1nn(C)cc1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935136 542854974 /nfs/dbraw/zinc/85/49/74/542854974.db2.gz AQZHABMFSMPJKR-KRWDZBQOSA-N 2 1 312.461 2.594 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)c1ccc(C[NH3+])o1 ZINC000236656640 542895541 /nfs/dbraw/zinc/89/55/41/542895541.db2.gz HAXJQXHJUZDYHA-UHFFFAOYSA-N 2 1 315.417 2.509 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000273099604 542969792 /nfs/dbraw/zinc/96/97/92/542969792.db2.gz OGQMBFLARVZEID-BEFAXECRSA-N 2 1 323.444 2.940 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764603 543065749 /nfs/dbraw/zinc/06/57/49/543065749.db2.gz ZCUMFVGJELSVMO-MOPGFXCFSA-N 2 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764603 543065752 /nfs/dbraw/zinc/06/57/52/543065752.db2.gz ZCUMFVGJELSVMO-MOPGFXCFSA-N 3 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764603 543065756 /nfs/dbraw/zinc/06/57/56/543065756.db2.gz ZCUMFVGJELSVMO-MOPGFXCFSA-N 3 1 301.478 2.630 20 0 DFADMP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309770071 543065995 /nfs/dbraw/zinc/06/59/95/543065995.db2.gz HIUSAAUTANFWEY-DOTOQJQBSA-N 2 1 317.477 2.531 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000322151125 543088653 /nfs/dbraw/zinc/08/86/53/543088653.db2.gz ZCLXOXOBEUCOSH-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP Cc1ccccc1-c1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000322852257 543090348 /nfs/dbraw/zinc/09/03/48/543090348.db2.gz PZVXWGWSXPYUDE-CWRNSKLLSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccccc1-c1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000322852257 543090350 /nfs/dbraw/zinc/09/03/50/543090350.db2.gz PZVXWGWSXPYUDE-CWRNSKLLSA-N 2 1 312.417 2.604 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)CC[NH+]1CCCC[C@H]1C)CC2 ZINC000339284569 543143488 /nfs/dbraw/zinc/14/34/88/543143488.db2.gz RWDQUKIJDOTRKN-KURKYZTESA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)CC[N@@H+]1CCCC[C@H]1C)CC2 ZINC000339284569 543143491 /nfs/dbraw/zinc/14/34/91/543143491.db2.gz RWDQUKIJDOTRKN-KURKYZTESA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1[C@@H]2CC[C@H]1CN(C(=O)CC[N@H+]1CCCC[C@H]1C)CC2 ZINC000339284569 543143493 /nfs/dbraw/zinc/14/34/93/543143493.db2.gz RWDQUKIJDOTRKN-KURKYZTESA-N 2 1 321.509 2.725 20 0 DFADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339076104 543139581 /nfs/dbraw/zinc/13/95/81/543139581.db2.gz SDVYKOSOGNAZHB-SNPRPXQTSA-N 2 1 310.388 2.949 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339071398 543139884 /nfs/dbraw/zinc/13/98/84/543139884.db2.gz QVLOBDSMWAWULI-ROUUACIJSA-N 2 1 315.461 2.543 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339071398 543139886 /nfs/dbraw/zinc/13/98/86/543139886.db2.gz QVLOBDSMWAWULI-ROUUACIJSA-N 2 1 315.461 2.543 20 0 DFADMP c1ccc2c(c1)CC[NH+](CCCN[C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339076133 543139952 /nfs/dbraw/zinc/13/99/52/543139952.db2.gz TUWZMEWIARHIFS-UXHICEINSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000339076133 543139955 /nfs/dbraw/zinc/13/99/55/543139955.db2.gz TUWZMEWIARHIFS-UXHICEINSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCCN[C@@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000339076133 543139956 /nfs/dbraw/zinc/13/99/56/543139956.db2.gz TUWZMEWIARHIFS-UXHICEINSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339076133 543139957 /nfs/dbraw/zinc/13/99/57/543139957.db2.gz TUWZMEWIARHIFS-UXHICEINSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339076133 543139960 /nfs/dbraw/zinc/13/99/60/543139960.db2.gz TUWZMEWIARHIFS-UXHICEINSA-N 2 1 313.489 2.651 20 0 DFADMP COC1(C[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)CCOCC1 ZINC000368437999 292111055 /nfs/dbraw/zinc/11/10/55/292111055.db2.gz ISKWQRGHEOGZTO-GOSISDBHSA-N 2 1 324.509 2.626 20 0 DFADMP C[C@@H]1CN(C(=O)c2ccc(-c3c[nH]cn3)cc2)CC[N@H+](C2CC2)C1 ZINC000633241368 399875447 /nfs/dbraw/zinc/87/54/47/399875447.db2.gz KVGPDEFAEAXWFB-AWEZNQCLSA-N 2 1 324.428 2.633 20 0 DFADMP CCc1cc(NC[C@H](c2ccco2)[NH+](CC)CC)nc(C)[nH+]1 ZINC000359726958 543274754 /nfs/dbraw/zinc/27/47/54/543274754.db2.gz QXODGDYDWOGSEM-OAHLLOKOSA-N 2 1 302.422 2.857 20 0 DFADMP C[N@@H+](CCOCc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000384104367 543299331 /nfs/dbraw/zinc/29/93/31/543299331.db2.gz XVNBHXDWHXCOJN-UHFFFAOYSA-N 2 1 310.441 2.981 20 0 DFADMP CC(C)OCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171501403 145268295 /nfs/dbraw/zinc/26/82/95/145268295.db2.gz JETWDHJYBRFXOU-CALCHBBNSA-N 2 1 312.498 2.623 20 0 DFADMP CCOc1c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414932599 543328230 /nfs/dbraw/zinc/32/82/30/543328230.db2.gz VWRDMKZCTMYUAM-GJZGRUSLSA-N 2 1 308.470 2.606 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000414935401 543328412 /nfs/dbraw/zinc/32/84/12/543328412.db2.gz YLHWJHKFYBMBPS-NXEZZACHSA-N 2 1 301.203 2.948 20 0 DFADMP CC[N@H+]1CC[C@H](NCc2cc(OC)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363849 145341624 /nfs/dbraw/zinc/34/16/24/145341624.db2.gz FNUFIDOCCURUKA-HIFRSBDPSA-N 2 1 322.449 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(OC)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363849 145341632 /nfs/dbraw/zinc/34/16/32/145341632.db2.gz FNUFIDOCCURUKA-HIFRSBDPSA-N 2 1 322.449 2.532 20 0 DFADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)Nc1ccccc1 ZINC000173876564 145359036 /nfs/dbraw/zinc/35/90/36/145359036.db2.gz RXJONIFCAVAJAP-QGZVFWFLSA-N 2 1 315.461 2.823 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174877853 145393581 /nfs/dbraw/zinc/39/35/81/145393581.db2.gz XLMXENCNUHXQBY-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174877853 145393583 /nfs/dbraw/zinc/39/35/83/145393583.db2.gz XLMXENCNUHXQBY-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@@H]1CN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC[C@H]1[NH3+] ZINC000630513022 399897156 /nfs/dbraw/zinc/89/71/56/399897156.db2.gz OGXQYGOKGPWZNG-RHSMWYFYSA-N 2 1 323.444 2.560 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC[N@H+]1C ZINC000633418090 399901306 /nfs/dbraw/zinc/90/13/06/399901306.db2.gz UHPCCSFVOWYHHV-XJKSGUPXSA-N 2 1 307.413 2.556 20 0 DFADMP Brc1ccc2c(c1)[nH+]ccc2N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000630553582 399902646 /nfs/dbraw/zinc/90/26/46/399902646.db2.gz LBQLRMLDVMDFEN-QWRGUYRKSA-N 2 1 304.191 2.548 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631108655 399982165 /nfs/dbraw/zinc/98/21/65/399982165.db2.gz DSAWZBZKPJCKID-MAUKXSAKSA-N 2 1 311.429 2.787 20 0 DFADMP COCCc1ncc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)s1 ZINC000631035176 399966148 /nfs/dbraw/zinc/96/61/48/399966148.db2.gz KGHJCMQUBZIVTD-CQSZACIVSA-N 2 1 311.495 2.686 20 0 DFADMP COCCc1ncc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)s1 ZINC000631035176 399966149 /nfs/dbraw/zinc/96/61/49/399966149.db2.gz KGHJCMQUBZIVTD-CQSZACIVSA-N 2 1 311.495 2.686 20 0 DFADMP O=c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c[nH]1 ZINC000631112832 399983018 /nfs/dbraw/zinc/98/30/18/399983018.db2.gz XZWDQJSGBHFGNS-IPMKNSEASA-N 2 1 323.440 2.787 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]CCCCn1cc[nH+]c1C ZINC000631080728 399976583 /nfs/dbraw/zinc/97/65/83/399976583.db2.gz XGWBACFORJVUHP-UHFFFAOYSA-N 2 1 321.396 2.918 20 0 DFADMP COc1cc(Cl)c(CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000631080476 399976816 /nfs/dbraw/zinc/97/68/16/399976816.db2.gz QRQUFINYLXIVMX-WCQYABFASA-N 2 1 312.841 2.930 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631082860 399977029 /nfs/dbraw/zinc/97/70/29/399977029.db2.gz IQGYBSMQQZBVRL-MAUKXSAKSA-N 2 1 311.429 2.787 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2C[C@H](C)C[C@@H](C)C2)CC[N@H+]1C ZINC000630749393 399924342 /nfs/dbraw/zinc/92/43/42/399924342.db2.gz GTVAYJABMQZTMV-ZJPYXAASSA-N 2 1 323.525 2.591 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000634120083 399984907 /nfs/dbraw/zinc/98/49/07/399984907.db2.gz FSXIVWGVDOYYBN-KRWDZBQOSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2ccc(F)c(F)c2N(C)C)CC[N@H+]1C ZINC000628183775 399997292 /nfs/dbraw/zinc/99/72/92/399997292.db2.gz MXZJNYXREVRBIR-GXTWGEPZSA-N 2 1 311.420 2.945 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000628186869 399998049 /nfs/dbraw/zinc/99/80/49/399998049.db2.gz YPZRVAMGGHEHRQ-UHFFFAOYSA-N 2 1 322.497 2.597 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nc(C)c(C)[nH]2)CC1 ZINC000628186869 399998051 /nfs/dbraw/zinc/99/80/51/399998051.db2.gz YPZRVAMGGHEHRQ-UHFFFAOYSA-N 2 1 322.497 2.597 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000631194815 400000349 /nfs/dbraw/zinc/00/03/49/400000349.db2.gz PPXJYVQATKMFPV-AEFFLSMTSA-N 2 1 324.472 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000631194815 400000351 /nfs/dbraw/zinc/00/03/51/400000351.db2.gz PPXJYVQATKMFPV-AEFFLSMTSA-N 2 1 324.472 2.687 20 0 DFADMP Cc1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cnn1C ZINC000631196188 400001521 /nfs/dbraw/zinc/00/15/21/400001521.db2.gz OHYXLRCQMHCIHM-HNAYVOBHSA-N 2 1 312.461 2.586 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)O1 ZINC000631221061 400006967 /nfs/dbraw/zinc/00/69/67/400006967.db2.gz DUEPUFCNWAFYFK-VCBZYWHSSA-N 2 1 320.452 2.988 20 0 DFADMP CC(C)[C@H]1CN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000634300564 400012504 /nfs/dbraw/zinc/01/25/04/400012504.db2.gz CVSDMFKOLUDPOT-SJORKVTESA-N 2 1 317.477 2.511 20 0 DFADMP C[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1(C)C ZINC000628288532 400014257 /nfs/dbraw/zinc/01/42/57/400014257.db2.gz NAPRDOVHRIIJCD-ZWKOTPCHSA-N 2 1 317.477 2.538 20 0 DFADMP C[NH+]1CC[C@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1(C)C ZINC000628288532 400014259 /nfs/dbraw/zinc/01/42/59/400014259.db2.gz NAPRDOVHRIIJCD-ZWKOTPCHSA-N 2 1 317.477 2.538 20 0 DFADMP C[NH+]1CC[C@H](Nc2cccc(C[N@@H+]3CC[C@H](O)C3)c2)CC1(C)C ZINC000628288531 400014392 /nfs/dbraw/zinc/01/43/92/400014392.db2.gz NAPRDOVHRIIJCD-ROUUACIJSA-N 2 1 317.477 2.538 20 0 DFADMP C[NH+]1CC[C@H](Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1(C)C ZINC000628288531 400014394 /nfs/dbraw/zinc/01/43/94/400014394.db2.gz NAPRDOVHRIIJCD-ROUUACIJSA-N 2 1 317.477 2.538 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3c(OC)cccc32)C1 ZINC000631570724 400052798 /nfs/dbraw/zinc/05/27/98/400052798.db2.gz XSZBEFRDTVRZPI-HOCLYGCPSA-N 2 1 304.434 2.840 20 0 DFADMP C1CC2(C1)[C@@H]([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631646443 400061454 /nfs/dbraw/zinc/06/14/54/400061454.db2.gz LVGIOHXMXDPYIG-DKIMLUQUSA-N 2 1 304.478 2.941 20 0 DFADMP C1CC2(C1)[C@@H]([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631646443 400061456 /nfs/dbraw/zinc/06/14/56/400061456.db2.gz LVGIOHXMXDPYIG-DKIMLUQUSA-N 2 1 304.478 2.941 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000631664941 400064150 /nfs/dbraw/zinc/06/41/50/400064150.db2.gz SPFVCVGTKCFGBF-BJMVHTGZSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCOCC1 ZINC000631665763 400064154 /nfs/dbraw/zinc/06/41/54/400064154.db2.gz XQTMSZSQPQTOHT-BHIYHBOVSA-N 2 1 302.462 2.913 20 0 DFADMP O[C@@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000631697969 400067763 /nfs/dbraw/zinc/06/77/63/400067763.db2.gz AHAPRMJFAFGWRN-YVSFHVDLSA-N 2 1 324.415 2.788 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1 ZINC000631697729 400067773 /nfs/dbraw/zinc/06/77/73/400067773.db2.gz OZYILYSGCNNSOI-XHDPSFHLSA-N 2 1 309.360 2.847 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@H](O)C(F)(F)F ZINC000631718779 400069910 /nfs/dbraw/zinc/06/99/10/400069910.db2.gz KEJOMWXMDSYMRM-UXOAXIEHSA-N 2 1 322.415 2.931 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000631794099 400075937 /nfs/dbraw/zinc/07/59/37/400075937.db2.gz RMGGTNJQOOVMQP-SXLOBPIMSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+]1C ZINC000631794099 400075938 /nfs/dbraw/zinc/07/59/38/400075938.db2.gz RMGGTNJQOOVMQP-SXLOBPIMSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+]1C ZINC000631794099 400075939 /nfs/dbraw/zinc/07/59/39/400075939.db2.gz RMGGTNJQOOVMQP-SXLOBPIMSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000631794093 400075986 /nfs/dbraw/zinc/07/59/86/400075986.db2.gz RMGGTNJQOOVMQP-DFQSSKMNSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+]1C ZINC000631794093 400075987 /nfs/dbraw/zinc/07/59/87/400075987.db2.gz RMGGTNJQOOVMQP-DFQSSKMNSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+]1C ZINC000631794093 400075988 /nfs/dbraw/zinc/07/59/88/400075988.db2.gz RMGGTNJQOOVMQP-DFQSSKMNSA-N 2 1 315.505 2.779 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827482 400078029 /nfs/dbraw/zinc/07/80/29/400078029.db2.gz PDDSSEDFMQJGCH-HZPDHXFCSA-N 2 1 300.446 2.581 20 0 DFADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2)s1 ZINC000228725169 146009354 /nfs/dbraw/zinc/00/93/54/146009354.db2.gz XSIUWQXGGXKHOE-KRWDZBQOSA-N 2 1 304.459 2.817 20 0 DFADMP Fc1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1Br ZINC000228410087 146009704 /nfs/dbraw/zinc/00/97/04/146009704.db2.gz UFJPUJVGDCCRSU-UHFFFAOYSA-N 2 1 301.203 2.820 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236707893 146024741 /nfs/dbraw/zinc/02/47/41/146024741.db2.gz DXUNTXRYHSLJTP-QGZVFWFLSA-N 2 1 309.498 2.619 20 0 DFADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237639086 146048930 /nfs/dbraw/zinc/04/89/30/146048930.db2.gz GJVOIZDQNCKVKM-OAHLLOKOSA-N 2 1 321.384 2.604 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CCC1CC[NH2+]CC1 ZINC000237668497 146050169 /nfs/dbraw/zinc/05/01/69/146050169.db2.gz HBXKTQSMIDATLP-MRXNPFEDSA-N 2 1 309.498 2.537 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415622 146067844 /nfs/dbraw/zinc/06/78/44/146067844.db2.gz DJOXYJKVXMNMMN-YJBOKZPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415622 146067846 /nfs/dbraw/zinc/06/78/46/146067846.db2.gz DJOXYJKVXMNMMN-YJBOKZPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415622 146067848 /nfs/dbraw/zinc/06/78/48/146067848.db2.gz DJOXYJKVXMNMMN-YJBOKZPZSA-N 2 1 306.450 2.736 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)[C@@H](C)C1 ZINC000245559492 146084013 /nfs/dbraw/zinc/08/40/13/146084013.db2.gz IEWSMTKMAHNYPT-ULQDDVLXSA-N 2 1 310.482 2.772 20 0 DFADMP CC[N@@H+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245682856 146093221 /nfs/dbraw/zinc/09/32/21/146093221.db2.gz JDEDNHLNKLCKGV-REPLKXPHSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245682856 146093224 /nfs/dbraw/zinc/09/32/24/146093224.db2.gz JDEDNHLNKLCKGV-REPLKXPHSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+](C)CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245682856 146093226 /nfs/dbraw/zinc/09/32/26/146093226.db2.gz JDEDNHLNKLCKGV-REPLKXPHSA-N 2 1 301.478 2.723 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245690884 146094380 /nfs/dbraw/zinc/09/43/80/146094380.db2.gz KGUDZLKTFDTSHE-NNZMDNLPSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245690884 146094382 /nfs/dbraw/zinc/09/43/82/146094382.db2.gz KGUDZLKTFDTSHE-NNZMDNLPSA-N 2 1 310.445 2.705 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)[C@@H](C)C1 ZINC000245739342 146099086 /nfs/dbraw/zinc/09/90/86/146099086.db2.gz LJWGWSDZTIIHJT-WMLDXEAASA-N 2 1 313.449 2.634 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)[C@@H](C)C1 ZINC000245739342 146099087 /nfs/dbraw/zinc/09/90/87/146099087.db2.gz LJWGWSDZTIIHJT-WMLDXEAASA-N 2 1 313.449 2.634 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)[C@@H](C)C1 ZINC000245739342 146099088 /nfs/dbraw/zinc/09/90/88/146099088.db2.gz LJWGWSDZTIIHJT-WMLDXEAASA-N 2 1 313.449 2.634 20 0 DFADMP C[NH+](C)CCCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245744280 146099397 /nfs/dbraw/zinc/09/93/97/146099397.db2.gz SESOHOMVQCOFPK-REPLKXPHSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H](CCCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245745671 146099441 /nfs/dbraw/zinc/09/94/41/146099441.db2.gz SLVJVFQQFYZMGG-DSLXNQLJSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC[C@H]1CCC[NH+]1C ZINC000245750980 146099596 /nfs/dbraw/zinc/09/95/96/146099596.db2.gz YSPSOPZFQDKLMQ-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000245750980 146099599 /nfs/dbraw/zinc/09/95/99/146099599.db2.gz YSPSOPZFQDKLMQ-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000245750980 146099603 /nfs/dbraw/zinc/09/96/03/146099603.db2.gz YSPSOPZFQDKLMQ-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP c1coc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000246014438 146114841 /nfs/dbraw/zinc/11/48/41/146114841.db2.gz SIYOOCZCCSSWQI-ULQDDVLXSA-N 2 1 303.450 2.633 20 0 DFADMP COCC[C@@H](C)[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000446786447 543360207 /nfs/dbraw/zinc/36/02/07/543360207.db2.gz UPEFYFIYWOXLNH-ZACQAIPSSA-N 2 1 312.498 2.623 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCCCOC)c2)[C@@H](C)C1 ZINC000246596528 146144215 /nfs/dbraw/zinc/14/42/15/146144215.db2.gz ZUWLJUTXGMWZHV-LPHOPBHVSA-N 2 1 320.477 2.922 20 0 DFADMP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC000247091164 146160347 /nfs/dbraw/zinc/16/03/47/146160347.db2.gz PKTMBTXTGPBYKO-VQIMIIECSA-N 2 1 320.477 2.668 20 0 DFADMP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC000247091164 146160348 /nfs/dbraw/zinc/16/03/48/146160348.db2.gz PKTMBTXTGPBYKO-VQIMIIECSA-N 2 1 320.477 2.668 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000247140815 146163404 /nfs/dbraw/zinc/16/34/04/146163404.db2.gz XBBNFSNBLPPHNJ-SJORKVTESA-N 2 1 317.477 2.904 20 0 DFADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000249031025 146183014 /nfs/dbraw/zinc/18/30/14/146183014.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC000249031025 146183019 /nfs/dbraw/zinc/18/30/19/146183019.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000249031025 146183022 /nfs/dbraw/zinc/18/30/22/146183022.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000249031025 146183027 /nfs/dbraw/zinc/18/30/27/146183027.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000249031025 146183031 /nfs/dbraw/zinc/18/30/31/146183031.db2.gz RCRABHYFWIYBCA-VAKYOOAGSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539720 146237862 /nfs/dbraw/zinc/23/78/62/146237862.db2.gz DBBOAPHHHQZRQC-XMZVIZOASA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261539720 146237865 /nfs/dbraw/zinc/23/78/65/146237865.db2.gz DBBOAPHHHQZRQC-XMZVIZOASA-N 2 1 301.478 2.757 20 0 DFADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261545205 146237944 /nfs/dbraw/zinc/23/79/44/146237944.db2.gz JQFXLARXFLVHDR-KRWDZBQOSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@H+](CC[C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261545205 146237946 /nfs/dbraw/zinc/23/79/46/146237946.db2.gz JQFXLARXFLVHDR-KRWDZBQOSA-N 3 1 301.478 2.582 20 0 DFADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261545205 146237949 /nfs/dbraw/zinc/23/79/49/146237949.db2.gz JQFXLARXFLVHDR-KRWDZBQOSA-N 3 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000261539616 146238429 /nfs/dbraw/zinc/23/84/29/146238429.db2.gz CWBACPSREQQLAT-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cc1F ZINC000261619610 146248020 /nfs/dbraw/zinc/24/80/20/146248020.db2.gz ARPQRPYJKHGCNR-KRWDZBQOSA-N 2 1 319.424 2.537 20 0 DFADMP c1ccc(-c2ccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000261631134 146249359 /nfs/dbraw/zinc/24/93/59/146249359.db2.gz HHXKLIDXEKVANB-NRFANRHFSA-N 2 1 321.468 2.833 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261626928 146249679 /nfs/dbraw/zinc/24/96/79/146249679.db2.gz HFTUBZDRRULYJV-OCCSQVGLSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261626928 146249680 /nfs/dbraw/zinc/24/96/80/146249680.db2.gz HFTUBZDRRULYJV-OCCSQVGLSA-N 2 1 300.324 2.769 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261627500 146249750 /nfs/dbraw/zinc/24/97/50/146249750.db2.gz DNHBPEAYTIYDFD-UXHICEINSA-N 2 1 322.452 2.838 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000261648407 146253979 /nfs/dbraw/zinc/25/39/79/146253979.db2.gz AWTIYCQUKPFEEY-MRXNPFEDSA-N 2 1 312.461 2.827 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261714878 146265605 /nfs/dbraw/zinc/26/56/05/146265605.db2.gz JOUURXZNYGRUTG-OWCLPIDISA-N 2 1 309.498 2.521 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261736424 146267380 /nfs/dbraw/zinc/26/73/80/146267380.db2.gz HVKNYNMYGOICDP-UXHICEINSA-N 2 1 315.505 2.830 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000261781551 146276322 /nfs/dbraw/zinc/27/63/22/146276322.db2.gz TYPLFSFCWJYVJX-IBGZPJMESA-N 2 1 311.429 2.831 20 0 DFADMP CC[C@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000184150099 288428122 /nfs/dbraw/zinc/42/81/22/288428122.db2.gz NOXROHKKOIUJSL-NVXWUHKLSA-N 2 1 323.868 2.591 20 0 DFADMP CC[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261831449 146284790 /nfs/dbraw/zinc/28/47/90/146284790.db2.gz JBBKULZBZYVLPK-LJQANCHMSA-N 2 1 301.478 2.582 20 0 DFADMP c1cnn(-c2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)c1 ZINC000261837812 146285799 /nfs/dbraw/zinc/28/57/99/146285799.db2.gz YEVNKTDNXIPZDY-UHFFFAOYSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000261908905 146300102 /nfs/dbraw/zinc/30/01/02/146300102.db2.gz XIBVVDNBSZOFQN-LJQANCHMSA-N 2 1 311.429 2.831 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000261908905 146300105 /nfs/dbraw/zinc/30/01/05/146300105.db2.gz XIBVVDNBSZOFQN-LJQANCHMSA-N 2 1 311.429 2.831 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261925845 146303045 /nfs/dbraw/zinc/30/30/45/146303045.db2.gz LAQLLHGVMCTSBT-BEVDRBHNSA-N 2 1 324.472 2.955 20 0 DFADMP [NH3+]C1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000261928950 146303803 /nfs/dbraw/zinc/30/38/03/146303803.db2.gz JEWQDACTVZLWJT-UHFFFAOYSA-N 3 1 301.478 2.553 20 0 DFADMP COc1ccc([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929063 146304590 /nfs/dbraw/zinc/30/45/90/146304590.db2.gz CNGRGHGJPYGAGJ-FUHWJXTLSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929063 146304593 /nfs/dbraw/zinc/30/45/93/146304593.db2.gz CNGRGHGJPYGAGJ-FUHWJXTLSA-N 2 1 304.434 2.840 20 0 DFADMP c1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261933510 146304717 /nfs/dbraw/zinc/30/47/17/146304717.db2.gz MABSVCCTXMJAEW-BBWFWOEESA-N 2 1 306.475 2.525 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261953946 146308737 /nfs/dbraw/zinc/30/87/37/146308737.db2.gz GJCJBUWZKVUZDF-FQEVSTJZSA-N 2 1 323.440 2.943 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000261953946 146308740 /nfs/dbraw/zinc/30/87/40/146308740.db2.gz GJCJBUWZKVUZDF-FQEVSTJZSA-N 2 1 323.440 2.943 20 0 DFADMP CC[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261954904 146309000 /nfs/dbraw/zinc/30/90/00/146309000.db2.gz OLOLVOMQUFAIRX-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261949854 146309115 /nfs/dbraw/zinc/30/91/15/146309115.db2.gz FUMMLPZCWZDDEW-HNNXBMFYSA-N 2 1 314.351 2.813 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000261949854 146309119 /nfs/dbraw/zinc/30/91/19/146309119.db2.gz FUMMLPZCWZDDEW-HNNXBMFYSA-N 2 1 314.351 2.813 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261981119 146316136 /nfs/dbraw/zinc/31/61/36/146316136.db2.gz RIUCLQVAXSDWOA-KFKAGJAMSA-N 2 1 324.472 2.955 20 0 DFADMP CCOc1cc2c(cc1OCC)C[N@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261988748 146317049 /nfs/dbraw/zinc/31/70/49/146317049.db2.gz SDZPGIZEDDMUET-OAHLLOKOSA-N 2 1 318.461 2.842 20 0 DFADMP CCOc1cc2c(cc1OCC)C[N@@H+](C[C@@H]1CCC[NH2+]C1)CC2 ZINC000261988748 146317055 /nfs/dbraw/zinc/31/70/55/146317055.db2.gz SDZPGIZEDDMUET-OAHLLOKOSA-N 2 1 318.461 2.842 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261997151 146318821 /nfs/dbraw/zinc/31/88/21/146318821.db2.gz UEZFHTAALTYQOM-IPMKNSEASA-N 2 1 318.461 2.722 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261995448 146319670 /nfs/dbraw/zinc/31/96/70/146319670.db2.gz STTQSENJTWXQEN-RHSMWYFYSA-N 2 1 316.424 2.630 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261995448 146319672 /nfs/dbraw/zinc/31/96/72/146319672.db2.gz STTQSENJTWXQEN-RHSMWYFYSA-N 2 1 316.424 2.630 20 0 DFADMP c1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262005674 146321131 /nfs/dbraw/zinc/32/11/31/146321131.db2.gz VAKWXGMIMNWHKU-BBWFWOEESA-N 2 1 300.402 2.680 20 0 DFADMP c1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262005676 146321469 /nfs/dbraw/zinc/32/14/69/146321469.db2.gz VAKWXGMIMNWHKU-BRWVUGGUSA-N 2 1 300.402 2.680 20 0 DFADMP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000262016268 146321899 /nfs/dbraw/zinc/32/18/99/146321899.db2.gz WAZHMZSWYALUGT-BHIYHBOVSA-N 2 1 302.462 2.859 20 0 DFADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2ccccc2)n1 ZINC000262020854 146323786 /nfs/dbraw/zinc/32/37/86/146323786.db2.gz NFTKDNMFSFFYDV-UHFFFAOYSA-N 2 1 310.445 2.663 20 0 DFADMP Cn1ccnc1C[N@@H+](CCC(C)(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000262018926 146323950 /nfs/dbraw/zinc/32/39/50/146323950.db2.gz VZJPYLYFEBINOK-HNNXBMFYSA-N 2 1 304.482 2.800 20 0 DFADMP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)SC ZINC000262033214 146325051 /nfs/dbraw/zinc/32/50/51/146325051.db2.gz XQZUHPQFPXUUFW-ZNMIVQPWSA-N 2 1 300.512 2.655 20 0 DFADMP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000262073032 146330613 /nfs/dbraw/zinc/33/06/13/146330613.db2.gz CUNPOXCDTVVTIU-PKOBYXMFSA-N 2 1 318.461 2.818 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000262194628 146341950 /nfs/dbraw/zinc/34/19/50/146341950.db2.gz ZDDQVBCCXARZEB-UHFFFAOYSA-N 2 1 320.387 2.582 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000262305565 146350322 /nfs/dbraw/zinc/35/03/22/146350322.db2.gz PCFVUOUUMMUAAN-BPLDGKMQSA-N 2 1 314.458 2.764 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000262305565 146350324 /nfs/dbraw/zinc/35/03/24/146350324.db2.gz PCFVUOUUMMUAAN-BPLDGKMQSA-N 2 1 314.458 2.764 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000262339779 146352240 /nfs/dbraw/zinc/35/22/40/146352240.db2.gz HTACOVOZXIGRFH-LSDHHAIUSA-N 2 1 315.461 2.855 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000262339770 146352729 /nfs/dbraw/zinc/35/27/29/146352729.db2.gz HTACOVOZXIGRFH-CABCVRRESA-N 2 1 315.461 2.855 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccccn1)c1ccccc1 ZINC000459409052 543393199 /nfs/dbraw/zinc/39/31/99/543393199.db2.gz NUTXJFDDEACTHF-IBGZPJMESA-N 2 1 306.413 2.931 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)C3CCOCC3)CCCC2)CC1 ZINC000354467220 147048900 /nfs/dbraw/zinc/04/89/00/147048900.db2.gz RXLGKLOJFDHNCK-INIZCTEOSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCSC3(CCOCC3)C2)cn1 ZINC000354636372 147099589 /nfs/dbraw/zinc/09/95/89/147099589.db2.gz NHGRTOAHNPQCJG-UHFFFAOYSA-N 2 1 306.475 2.921 20 0 DFADMP C[C@@H]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C[C@H]1n1ccnc1 ZINC000354791672 147152322 /nfs/dbraw/zinc/15/23/22/147152322.db2.gz IBJRBYORXGUOCO-BRWVUGGUSA-N 2 1 318.465 2.557 20 0 DFADMP CCN(CCC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)CC(F)(F)F ZINC000354824657 147165507 /nfs/dbraw/zinc/16/55/07/147165507.db2.gz ZHEYOTBNSAJGOV-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)CC(F)(F)F ZINC000354824657 147165512 /nfs/dbraw/zinc/16/55/12/147165512.db2.gz ZHEYOTBNSAJGOV-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000354824657 147165516 /nfs/dbraw/zinc/16/55/16/147165516.db2.gz ZHEYOTBNSAJGOV-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)CC(F)(F)F ZINC000354824657 147165520 /nfs/dbraw/zinc/16/55/20/147165520.db2.gz ZHEYOTBNSAJGOV-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc([S@](C)=O)cc2)C[C@@H]1n1ccnc1 ZINC000355252606 147239094 /nfs/dbraw/zinc/23/90/94/147239094.db2.gz JJAKZUCBBVHDDB-UVQUFPMPSA-N 2 1 317.458 2.704 20 0 DFADMP C[C@@H]1CCN(Cc2ccc([S@](C)=O)cc2)C[C@@H]1n1ccnc1 ZINC000355252606 147239096 /nfs/dbraw/zinc/23/90/96/147239096.db2.gz JJAKZUCBBVHDDB-UVQUFPMPSA-N 2 1 317.458 2.704 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[NH+]1CCCCCC1 ZINC000533826961 543436625 /nfs/dbraw/zinc/43/66/25/543436625.db2.gz OTCIFBHEXYYKMI-MAUKXSAKSA-N 2 1 315.461 2.554 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1CCCCCC1 ZINC000533826961 543436626 /nfs/dbraw/zinc/43/66/26/543436626.db2.gz OTCIFBHEXYYKMI-MAUKXSAKSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2cnc3ccc(Cl)cn23)CC1 ZINC000350218955 286019444 /nfs/dbraw/zinc/01/94/44/286019444.db2.gz JWNXUABEFQNGQM-UHFFFAOYSA-N 2 1 306.841 2.761 20 0 DFADMP C[C@@H](NC(=O)Nc1cccc(C[NH+](C)C)c1)C1=CC[N@@H+](C)CC1 ZINC000358072092 148233218 /nfs/dbraw/zinc/23/32/18/148233218.db2.gz BMJIKVVKNAUMMH-CQSZACIVSA-N 2 1 316.449 2.520 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000358127841 148253179 /nfs/dbraw/zinc/25/31/79/148253179.db2.gz CIAFHRKEMKPLIF-QGZVFWFLSA-N 2 1 302.443 2.571 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000358127841 148253182 /nfs/dbraw/zinc/25/31/82/148253182.db2.gz CIAFHRKEMKPLIF-QGZVFWFLSA-N 2 1 302.443 2.571 20 0 DFADMP Cc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)s2)cc1 ZINC000358164148 148265874 /nfs/dbraw/zinc/26/58/74/148265874.db2.gz NDFYFEASQMQLLR-GOSISDBHSA-N 2 1 316.470 2.880 20 0 DFADMP Cc1ccc(-c2ccc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)s2)cc1 ZINC000358164148 148265877 /nfs/dbraw/zinc/26/58/77/148265877.db2.gz NDFYFEASQMQLLR-GOSISDBHSA-N 2 1 316.470 2.880 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2O)[C@@H](C)C1 ZINC000358209388 148286290 /nfs/dbraw/zinc/28/62/90/148286290.db2.gz WUSTUDCSMSBOFL-FUHWJXTLSA-N 2 1 320.477 2.661 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC000358228288 148294393 /nfs/dbraw/zinc/29/43/93/148294393.db2.gz FJIIDPYFFYHLNG-DYESRHJHSA-N 2 1 324.468 2.863 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC000358228288 148294396 /nfs/dbraw/zinc/29/43/96/148294396.db2.gz FJIIDPYFFYHLNG-DYESRHJHSA-N 2 1 324.468 2.863 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000358236646 148297769 /nfs/dbraw/zinc/29/77/69/148297769.db2.gz ASMHFKQMAMCJHW-JYPHPWERSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000358236646 148297773 /nfs/dbraw/zinc/29/77/73/148297773.db2.gz ASMHFKQMAMCJHW-JYPHPWERSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000358363215 148342570 /nfs/dbraw/zinc/34/25/70/148342570.db2.gz GKJCZWDYBHJGAK-IEBWSBKVSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000358363215 148342574 /nfs/dbraw/zinc/34/25/74/148342574.db2.gz GKJCZWDYBHJGAK-IEBWSBKVSA-N 2 1 324.472 2.970 20 0 DFADMP CCC[N@@H+](C)CC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358453313 148364924 /nfs/dbraw/zinc/36/49/24/148364924.db2.gz WBCXDNGQDMCSMR-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000358453313 148364928 /nfs/dbraw/zinc/36/49/28/148364928.db2.gz WBCXDNGQDMCSMR-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000358453313 148364932 /nfs/dbraw/zinc/36/49/32/148364932.db2.gz WBCXDNGQDMCSMR-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000358560546 148386774 /nfs/dbraw/zinc/38/67/74/148386774.db2.gz FCVBSTKSTZQPRH-RSPOEFSDSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000358560546 148386778 /nfs/dbraw/zinc/38/67/78/148386778.db2.gz FCVBSTKSTZQPRH-RSPOEFSDSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000358560546 148386781 /nfs/dbraw/zinc/38/67/81/148386781.db2.gz FCVBSTKSTZQPRH-RSPOEFSDSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000350510549 286053306 /nfs/dbraw/zinc/05/33/06/286053306.db2.gz CUOYGIPUMYTVRX-INIZCTEOSA-N 2 1 312.461 2.605 20 0 DFADMP Cn1nccc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350562260 286060120 /nfs/dbraw/zinc/06/01/20/286060120.db2.gz ZOKMYZHXVKEDJD-MJGOQNOKSA-N 2 1 312.461 2.592 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660006765 543524505 /nfs/dbraw/zinc/52/45/05/543524505.db2.gz UGGKCUXQUBJNSC-MJGOQNOKSA-N 2 1 324.509 2.504 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2ccc(Br)o2)CC1 ZINC000350729439 286078639 /nfs/dbraw/zinc/07/86/39/286078639.db2.gz NKECMHNDJZLHKX-UHFFFAOYSA-N 2 1 301.228 2.816 20 0 DFADMP COCCNc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000361183959 149049224 /nfs/dbraw/zinc/04/92/24/149049224.db2.gz HMBLZWLUMOKWCD-HDMKZQKVSA-N 2 1 305.466 2.563 20 0 DFADMP Cc1csc(N2CCC([NH2+]CC3([NH+](C)C)CCCC3)CC2)n1 ZINC000361339725 149089049 /nfs/dbraw/zinc/08/90/49/149089049.db2.gz SOSNLQINYBYVNK-UHFFFAOYSA-N 2 1 322.522 2.884 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361348299 149093674 /nfs/dbraw/zinc/09/36/74/149093674.db2.gz JIDJWBGVDUFDBL-BTHPGYMESA-N 2 1 313.489 2.500 20 0 DFADMP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000361384489 149100778 /nfs/dbraw/zinc/10/07/78/149100778.db2.gz KRZZGXRIQTVBNQ-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000361419680 149109707 /nfs/dbraw/zinc/10/97/07/149109707.db2.gz GLBOTTQYLKHEDJ-BPIHKTFHSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361435396 149114544 /nfs/dbraw/zinc/11/45/44/149114544.db2.gz LNABFJPLRMGAIG-BMFZPTHFSA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361435396 149114546 /nfs/dbraw/zinc/11/45/46/149114546.db2.gz LNABFJPLRMGAIG-BMFZPTHFSA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361460324 149122209 /nfs/dbraw/zinc/12/22/09/149122209.db2.gz UZDOXDJRHNGOCT-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(CCO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361460324 149122212 /nfs/dbraw/zinc/12/22/12/149122212.db2.gz UZDOXDJRHNGOCT-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@@H](C)C1 ZINC000361511003 149135743 /nfs/dbraw/zinc/13/57/43/149135743.db2.gz NTGPPBCEPNSRQY-BBWFWOEESA-N 2 1 314.514 2.510 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763747 149212694 /nfs/dbraw/zinc/21/26/94/149212694.db2.gz FWUCONMAEXGCKM-SOLBZPMBSA-N 2 1 317.477 2.657 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763747 149212699 /nfs/dbraw/zinc/21/26/99/149212699.db2.gz FWUCONMAEXGCKM-SOLBZPMBSA-N 2 1 317.477 2.657 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)[C@@H](C)C1 ZINC000362011432 149274891 /nfs/dbraw/zinc/27/48/91/149274891.db2.gz DOWKVMPGITVFEL-XHSDSOJGSA-N 2 1 300.512 2.609 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000362079436 149290263 /nfs/dbraw/zinc/29/02/63/149290263.db2.gz PDXFASHWBVMHOF-AZUAARDMSA-N 2 1 315.505 2.761 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362881684 149388138 /nfs/dbraw/zinc/38/81/38/149388138.db2.gz ZOJMNXIJTLDWHL-MAUKXSAKSA-N 2 1 306.425 2.585 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000362881684 149388139 /nfs/dbraw/zinc/38/81/39/149388139.db2.gz ZOJMNXIJTLDWHL-MAUKXSAKSA-N 2 1 306.425 2.585 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000351422005 286125985 /nfs/dbraw/zinc/12/59/85/286125985.db2.gz TYDNTJCLXIPCOG-MRXNPFEDSA-N 2 1 303.450 2.799 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000351422005 286125987 /nfs/dbraw/zinc/12/59/87/286125987.db2.gz TYDNTJCLXIPCOG-MRXNPFEDSA-N 2 1 303.450 2.799 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]12 ZINC000351472249 286128539 /nfs/dbraw/zinc/12/85/39/286128539.db2.gz AHTUXBPBOLYIDR-NWANDNLSSA-N 2 1 314.351 2.797 20 0 DFADMP Fc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1Br ZINC000368846037 149708573 /nfs/dbraw/zinc/70/85/73/149708573.db2.gz ORSDFLDLXTXHJZ-LLVKDONJSA-N 2 1 324.197 2.889 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000351492452 286134675 /nfs/dbraw/zinc/13/46/75/286134675.db2.gz LHOZRLHJRQKITR-JQHSSLGASA-N 2 1 300.446 2.984 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351510957 286140044 /nfs/dbraw/zinc/14/00/44/286140044.db2.gz AXRAJQBBWQMDQD-JQFCIGGWSA-N 2 1 306.450 2.816 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351510957 286140046 /nfs/dbraw/zinc/14/00/46/286140046.db2.gz AXRAJQBBWQMDQD-JQFCIGGWSA-N 2 1 306.450 2.816 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000371196256 150000899 /nfs/dbraw/zinc/00/08/99/150000899.db2.gz COOFSSLAJFMILO-MRXNPFEDSA-N 2 1 300.406 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2ccccn2)C1 ZINC000371196256 150000900 /nfs/dbraw/zinc/00/09/00/150000900.db2.gz COOFSSLAJFMILO-MRXNPFEDSA-N 2 1 300.406 2.520 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3CCCCCC[C@H]32)CC1 ZINC000371208183 150004134 /nfs/dbraw/zinc/00/41/34/150004134.db2.gz HBIKFXLIKFTZQE-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371265817 150012253 /nfs/dbraw/zinc/01/22/53/150012253.db2.gz FSEFWGPGYFDZGA-LJQANCHMSA-N 2 1 315.505 2.763 20 0 DFADMP COCc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371295500 150017503 /nfs/dbraw/zinc/01/75/03/150017503.db2.gz RYTXAXQTEJIXDH-GUDVDZBRSA-N 2 1 318.461 2.517 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371403030 150040375 /nfs/dbraw/zinc/04/03/75/150040375.db2.gz HSLZRMDBUFVKPQ-QRVBRYPASA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371403030 150040380 /nfs/dbraw/zinc/04/03/80/150040380.db2.gz HSLZRMDBUFVKPQ-QRVBRYPASA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000371403030 150040384 /nfs/dbraw/zinc/04/03/84/150040384.db2.gz HSLZRMDBUFVKPQ-QRVBRYPASA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371403030 150040386 /nfs/dbraw/zinc/04/03/86/150040386.db2.gz HSLZRMDBUFVKPQ-QRVBRYPASA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371403030 150040388 /nfs/dbraw/zinc/04/03/88/150040388.db2.gz HSLZRMDBUFVKPQ-QRVBRYPASA-N 2 1 322.456 2.993 20 0 DFADMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1c(C3CC3)nc3sccn13)C2 ZINC000371424159 150045741 /nfs/dbraw/zinc/04/57/41/150045741.db2.gz MMEFZCAGIPAFCC-LBPRGKRZSA-N 2 1 313.430 2.574 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371469561 150052179 /nfs/dbraw/zinc/05/21/79/150052179.db2.gz FSYIVARQUJFBGX-OKZBNKHCSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371469561 150052184 /nfs/dbraw/zinc/05/21/84/150052184.db2.gz FSYIVARQUJFBGX-OKZBNKHCSA-N 2 1 306.425 2.818 20 0 DFADMP CCC[C@@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+](C)C ZINC000371550626 150064536 /nfs/dbraw/zinc/06/45/36/150064536.db2.gz CJFXPWQCEUNRHH-KRWDZBQOSA-N 2 1 301.434 2.833 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000371569941 150066950 /nfs/dbraw/zinc/06/69/50/150066950.db2.gz CKCDPWZIZHUFTD-HNNXBMFYSA-N 2 1 322.522 2.822 20 0 DFADMP CC(C)N1CCc2nc(CN(C)[C@@H]3CCSC3)sc2C1 ZINC000371801514 150097559 /nfs/dbraw/zinc/09/75/59/150097559.db2.gz GZILEGSIIIJLAV-GFCCVEGCSA-N 2 1 311.520 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000372061002 150130711 /nfs/dbraw/zinc/13/07/11/150130711.db2.gz YQIUZQPPAAWUFD-LTIDMASMSA-N 2 1 312.523 2.751 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2ccnn2CC)CC1 ZINC000351609426 286167922 /nfs/dbraw/zinc/16/79/22/286167922.db2.gz ROPSUPRYIMXAIQ-UHFFFAOYSA-N 2 1 306.498 2.889 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@@H]3CCC=CO3)CC2)nc(C)[nH+]1 ZINC000372944400 150205467 /nfs/dbraw/zinc/20/54/67/150205467.db2.gz AUGNICLKKYVPDL-KRWDZBQOSA-N 2 1 316.449 2.687 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CCC=CO3)CC2)nc(C)[nH+]1 ZINC000372944400 150205469 /nfs/dbraw/zinc/20/54/69/150205469.db2.gz AUGNICLKKYVPDL-KRWDZBQOSA-N 2 1 316.449 2.687 20 0 DFADMP C[C@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000373175876 150241683 /nfs/dbraw/zinc/24/16/83/150241683.db2.gz IWMWECCTRKOCJI-YOCVDRLZSA-N 2 1 313.489 2.800 20 0 DFADMP C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373175876 150241686 /nfs/dbraw/zinc/24/16/86/150241686.db2.gz IWMWECCTRKOCJI-YOCVDRLZSA-N 2 1 313.489 2.800 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000373189588 150244685 /nfs/dbraw/zinc/24/46/85/150244685.db2.gz HZXMPANRHSOTQO-DLBZAZTESA-N 2 1 320.481 2.857 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000374257360 150331155 /nfs/dbraw/zinc/33/11/55/150331155.db2.gz DQNLCCWIZRTAFK-SFHVURJKSA-N 2 1 315.505 2.720 20 0 DFADMP CCCc1noc(C[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000374318578 150343394 /nfs/dbraw/zinc/34/33/94/150343394.db2.gz RSCLKXQKGSDHTR-AWEZNQCLSA-N 2 1 318.465 2.718 20 0 DFADMP CCCc1noc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000374318578 150343396 /nfs/dbraw/zinc/34/33/96/150343396.db2.gz RSCLKXQKGSDHTR-AWEZNQCLSA-N 2 1 318.465 2.718 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374431190 150366832 /nfs/dbraw/zinc/36/68/32/150366832.db2.gz WKVUNZDEUYDTTR-IPMKNSEASA-N 2 1 302.462 2.987 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000374526805 150373625 /nfs/dbraw/zinc/37/36/25/150373625.db2.gz LSGSKBOBTXHBCG-KCITZHQASA-N 2 1 302.462 2.912 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(OC)ccc2F)C1 ZINC000351686401 286193277 /nfs/dbraw/zinc/19/32/77/286193277.db2.gz RRJPKDIMKCZVDU-KRWDZBQOSA-N 2 1 324.440 2.767 20 0 DFADMP Cc1cccc(C2([NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CCCC2)c1 ZINC000351714386 286200856 /nfs/dbraw/zinc/20/08/56/286200856.db2.gz CYUORCBIWZBXIZ-SFHVURJKSA-N 2 1 302.462 2.809 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccccc2)CCCCC1)C1CC1 ZINC000351713401 286200640 /nfs/dbraw/zinc/20/06/40/286200640.db2.gz UJYRMQSSWFUGDQ-SFHVURJKSA-N 2 1 302.462 2.891 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccccc2)CCCCC1)C1CC1 ZINC000351713401 286200641 /nfs/dbraw/zinc/20/06/41/286200641.db2.gz UJYRMQSSWFUGDQ-SFHVURJKSA-N 2 1 302.462 2.891 20 0 DFADMP C[N@@H+](C[C@@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000351714108 286200777 /nfs/dbraw/zinc/20/07/77/286200777.db2.gz YZQANLCNCKKECA-GOSISDBHSA-N 2 1 320.864 2.884 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722078 286202602 /nfs/dbraw/zinc/20/26/02/286202602.db2.gz WERISGAREPLMFH-MSOLQXFVSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722078 286202604 /nfs/dbraw/zinc/20/26/04/286202604.db2.gz WERISGAREPLMFH-MSOLQXFVSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722078 286202605 /nfs/dbraw/zinc/20/26/05/286202605.db2.gz WERISGAREPLMFH-MSOLQXFVSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722078 286202607 /nfs/dbraw/zinc/20/26/07/286202607.db2.gz WERISGAREPLMFH-MSOLQXFVSA-N 2 1 302.462 2.567 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000351781939 286217235 /nfs/dbraw/zinc/21/72/35/286217235.db2.gz IWTBMGWRJLQQFK-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCCCC2 ZINC000181751824 286279312 /nfs/dbraw/zinc/27/93/12/286279312.db2.gz GCNSPHFGJNGGPH-IAGOWNOFSA-N 2 1 324.509 2.815 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000352173315 286311971 /nfs/dbraw/zinc/31/19/71/286311971.db2.gz ZVXCNPPWVUXLIG-SJORKVTESA-N 2 1 311.514 2.781 20 0 DFADMP C[C@@H]1CCC[C@](CNC(=O)CC[C@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000352215472 286319914 /nfs/dbraw/zinc/31/99/14/286319914.db2.gz DUXYFLDPZVHVKI-LMMKCTJWSA-N 2 1 323.525 2.878 20 0 DFADMP CC1CCC(N(C(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])C2CC2)CC1 ZINC000352488873 286386518 /nfs/dbraw/zinc/38/65/18/286386518.db2.gz VRGKZFVLBVHBKP-CGZBRXJRSA-N 2 1 321.509 2.759 20 0 DFADMP CC1CCC(N(C(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])C2CC2)CC1 ZINC000352488873 286386520 /nfs/dbraw/zinc/38/65/20/286386520.db2.gz VRGKZFVLBVHBKP-CGZBRXJRSA-N 2 1 321.509 2.759 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352487242 286386005 /nfs/dbraw/zinc/38/60/05/286386005.db2.gz BOJLPGIPOGUFEA-CQSZACIVSA-N 2 1 307.413 2.666 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352527213 286398570 /nfs/dbraw/zinc/39/85/70/286398570.db2.gz XUPLQKCOYDYAKX-OAHLLOKOSA-N 2 1 322.449 2.806 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1OC ZINC000352527213 286398571 /nfs/dbraw/zinc/39/85/71/286398571.db2.gz XUPLQKCOYDYAKX-OAHLLOKOSA-N 2 1 322.449 2.806 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)[C@H](C)C2 ZINC000367886805 292368005 /nfs/dbraw/zinc/36/80/05/292368005.db2.gz QSWHSHXVFWLEAU-KLICCBINSA-N 2 1 300.446 2.681 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)[C@H](C)C2 ZINC000367886805 292368006 /nfs/dbraw/zinc/36/80/06/292368006.db2.gz QSWHSHXVFWLEAU-KLICCBINSA-N 2 1 300.446 2.681 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246271220 158083425 /nfs/dbraw/zinc/08/34/25/158083425.db2.gz APLAOMZAHAFQLF-HDMKZQKVSA-N 2 1 306.450 2.782 20 0 DFADMP COc1ccc(COCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246363686 158089271 /nfs/dbraw/zinc/08/92/71/158089271.db2.gz XQJSLOFJDCDBOI-RLFYNMQTSA-N 2 1 306.450 2.530 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246806100 158099272 /nfs/dbraw/zinc/09/92/72/158099272.db2.gz NBVRKNDZOYINQE-RDJZCZTQSA-N 2 1 308.466 2.669 20 0 DFADMP CCOC(=O)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246806100 158099275 /nfs/dbraw/zinc/09/92/75/158099275.db2.gz NBVRKNDZOYINQE-RDJZCZTQSA-N 2 1 308.466 2.669 20 0 DFADMP CCOC(=O)CCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246806100 158099276 /nfs/dbraw/zinc/09/92/76/158099276.db2.gz NBVRKNDZOYINQE-RDJZCZTQSA-N 2 1 308.466 2.669 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000247022679 158114079 /nfs/dbraw/zinc/11/40/79/158114079.db2.gz NADBBPJWJOTMEA-UHOSZYNNSA-N 2 1 302.462 2.566 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000247044983 158116638 /nfs/dbraw/zinc/11/66/38/158116638.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000247044983 158116639 /nfs/dbraw/zinc/11/66/39/158116639.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000247044983 158116642 /nfs/dbraw/zinc/11/66/42/158116642.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000247044983 158116644 /nfs/dbraw/zinc/11/66/44/158116644.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000247044983 158116645 /nfs/dbraw/zinc/11/66/45/158116645.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000247044983 158116647 /nfs/dbraw/zinc/11/66/47/158116647.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000247044983 158116649 /nfs/dbraw/zinc/11/66/49/158116649.db2.gz OMKJHVPGSQIKQY-MISYRCLQSA-N 3 1 315.505 2.623 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000247050566 158116827 /nfs/dbraw/zinc/11/68/27/158116827.db2.gz NGTCSEYBRAJSQS-RVKKMQEKSA-N 2 1 317.477 2.645 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247050566 158116828 /nfs/dbraw/zinc/11/68/28/158116828.db2.gz NGTCSEYBRAJSQS-RVKKMQEKSA-N 2 1 317.477 2.645 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000247053307 158116959 /nfs/dbraw/zinc/11/69/59/158116959.db2.gz LNQACKBDVPCYHL-QZTJIDSGSA-N 2 1 323.525 2.971 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)C(C)C ZINC000247053307 158116961 /nfs/dbraw/zinc/11/69/61/158116961.db2.gz LNQACKBDVPCYHL-QZTJIDSGSA-N 2 1 323.525 2.971 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000247243540 158124452 /nfs/dbraw/zinc/12/44/52/158124452.db2.gz ZDKZPBXPJSNYQR-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000247243540 158124453 /nfs/dbraw/zinc/12/44/53/158124453.db2.gz ZDKZPBXPJSNYQR-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000247243540 158124454 /nfs/dbraw/zinc/12/44/54/158124454.db2.gz ZDKZPBXPJSNYQR-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000247243540 158124455 /nfs/dbraw/zinc/12/44/55/158124455.db2.gz ZDKZPBXPJSNYQR-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H](c2cccc(OC)c2)[NH+](C)C)[C@H](C)C1 ZINC000247889639 158152085 /nfs/dbraw/zinc/15/20/85/158152085.db2.gz FBOUMTGUAIKONO-AYOQOUSVSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000247889639 158152088 /nfs/dbraw/zinc/15/20/88/158152088.db2.gz FBOUMTGUAIKONO-AYOQOUSVSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000247889639 158152090 /nfs/dbraw/zinc/15/20/90/158152090.db2.gz FBOUMTGUAIKONO-AYOQOUSVSA-N 2 1 319.493 2.618 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248035590 158159115 /nfs/dbraw/zinc/15/91/15/158159115.db2.gz RLFXKAIIVBLICJ-FUHWJXTLSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248035590 158159116 /nfs/dbraw/zinc/15/91/16/158159116.db2.gz RLFXKAIIVBLICJ-FUHWJXTLSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248035590 158159119 /nfs/dbraw/zinc/15/91/19/158159119.db2.gz RLFXKAIIVBLICJ-FUHWJXTLSA-N 2 1 315.461 2.740 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](Cc1ccccc1)C1CC1 ZINC000248182119 158165164 /nfs/dbraw/zinc/16/51/64/158165164.db2.gz WPNJMTXFDBFPMM-VQTJNVASSA-N 2 1 316.489 2.834 20 0 DFADMP COCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248401879 158172116 /nfs/dbraw/zinc/17/21/16/158172116.db2.gz MGILUHUJROSGMX-GUDVDZBRSA-N 2 1 302.462 2.913 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000248409900 158173718 /nfs/dbraw/zinc/17/37/18/158173718.db2.gz XGZBCLCFBUMGGL-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409900 158173721 /nfs/dbraw/zinc/17/37/21/158173721.db2.gz XGZBCLCFBUMGGL-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409900 158173723 /nfs/dbraw/zinc/17/37/23/158173723.db2.gz XGZBCLCFBUMGGL-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248420522 158175301 /nfs/dbraw/zinc/17/53/01/158175301.db2.gz XCVPNHCBSZQBKS-WJFTUGDTSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000248463185 158178673 /nfs/dbraw/zinc/17/86/73/158178673.db2.gz YSBSZJQPUZGYJH-DNVCBOLYSA-N 2 1 302.462 2.922 20 0 DFADMP C[NH+](CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccc(F)cc1 ZINC000248543388 158182407 /nfs/dbraw/zinc/18/24/07/158182407.db2.gz DANRBUAGTDNIAP-PKOBYXMFSA-N 2 1 319.468 2.674 20 0 DFADMP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248742923 158199486 /nfs/dbraw/zinc/19/94/86/158199486.db2.gz ALQSMHUSKAKZTP-CZLXLUGWSA-N 2 1 306.425 2.853 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000248755870 158200814 /nfs/dbraw/zinc/20/08/14/158200814.db2.gz CQPBSZMDDBEHBO-MNIJEXPFSA-N 2 1 316.489 2.831 20 0 DFADMP CC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000248751193 158200946 /nfs/dbraw/zinc/20/09/46/158200946.db2.gz UAHMMZUYRKDMQG-ZHALLVOQSA-N 2 1 321.509 2.632 20 0 DFADMP CC[C@@H](C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1)[NH+](C)C ZINC000356892959 158318665 /nfs/dbraw/zinc/31/86/65/158318665.db2.gz KJOQKYBRWFCPAQ-SFHVURJKSA-N 2 1 323.525 2.687 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@H]3CCCOC3)CCCC2)CC1 ZINC000356891563 158319155 /nfs/dbraw/zinc/31/91/55/158319155.db2.gz GXGBYLDLDOKTBT-SJORKVTESA-N 2 1 324.509 2.815 20 0 DFADMP Cc1ccc(N2CCC([NH2+][C@H](C)[C@H]3CCCOC3)CC2)[nH+]c1 ZINC000356903476 158320111 /nfs/dbraw/zinc/32/01/11/158320111.db2.gz RYXQCISDSRFWOJ-CVEARBPZSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356902844 158320278 /nfs/dbraw/zinc/32/02/78/158320278.db2.gz RRSFQARVFRLMRW-AWEZNQCLSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356902844 158320280 /nfs/dbraw/zinc/32/02/80/158320280.db2.gz RRSFQARVFRLMRW-AWEZNQCLSA-N 2 1 321.431 2.867 20 0 DFADMP CC[C@H]1C[C@@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000356987178 158339790 /nfs/dbraw/zinc/33/97/90/158339790.db2.gz JJWGCTPYRSTBCA-IRXDYDNUSA-N 2 1 305.466 2.880 20 0 DFADMP CCOC(=O)[C@@H](C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357021077 158349372 /nfs/dbraw/zinc/34/93/72/158349372.db2.gz YFTXLPAJNSFOIQ-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357021077 158349376 /nfs/dbraw/zinc/34/93/76/158349376.db2.gz YFTXLPAJNSFOIQ-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357021077 158349381 /nfs/dbraw/zinc/34/93/81/158349381.db2.gz YFTXLPAJNSFOIQ-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP c1cn(Cc2ccccc2)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357058827 158358219 /nfs/dbraw/zinc/35/82/19/158358219.db2.gz WMBCFTGWBHQBHQ-IBGZPJMESA-N 2 1 324.472 2.753 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccc(F)cc2)CC1 ZINC000358294956 158370335 /nfs/dbraw/zinc/37/03/35/158370335.db2.gz CJOXGLCCBBWDCM-KSSFIOAISA-N 2 1 324.440 2.602 20 0 DFADMP CCn1c2cccc(F)c2nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358506318 158383544 /nfs/dbraw/zinc/38/35/44/158383544.db2.gz LYGVLLWZNVFLHZ-UHFFFAOYSA-N 2 1 316.424 2.771 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496492718 300070395 /nfs/dbraw/zinc/07/03/95/300070395.db2.gz BXTQHIQASCPXRR-UKRRQHHQSA-N 2 1 305.422 2.811 20 0 DFADMP [NH3+]C1CC[NH+](Cc2c(-c3ccccc3)nc3ccccn32)CC1 ZINC000430652130 296802719 /nfs/dbraw/zinc/80/27/19/296802719.db2.gz MRSDUBUTXNMEQU-UHFFFAOYSA-N 2 1 306.413 2.924 20 0 DFADMP C[NH2+]C1CC[NH+](CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000430965498 296816197 /nfs/dbraw/zinc/81/61/97/296816197.db2.gz LFJPFEUQSYOYJU-UHFFFAOYSA-N 2 1 320.824 2.616 20 0 DFADMP CCO[C@@H](C)c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)cs1 ZINC000431024990 296818330 /nfs/dbraw/zinc/81/83/30/296818330.db2.gz NJOHVIASCBLTGR-ZDUSSCGKSA-N 2 1 309.479 2.816 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000370316270 287027867 /nfs/dbraw/zinc/02/78/67/287027867.db2.gz RYRHWVUGENLDCV-YLJYHZDGSA-N 2 1 324.472 2.721 20 0 DFADMP C[N@@H+]1CCN(CC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1(C)C ZINC000441360729 297181121 /nfs/dbraw/zinc/18/11/21/297181121.db2.gz YDWJVHDXKQUBOU-UHFFFAOYSA-N 2 1 324.538 2.556 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1(C)C ZINC000441360729 297181123 /nfs/dbraw/zinc/18/11/23/297181123.db2.gz YDWJVHDXKQUBOU-UHFFFAOYSA-N 2 1 324.538 2.556 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ccc(F)cc32)CC1 ZINC000177710461 287086590 /nfs/dbraw/zinc/08/65/90/287086590.db2.gz CPOQQFNPUXXMQS-AUUYWEPGSA-N 2 1 320.452 2.838 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000253354019 287115933 /nfs/dbraw/zinc/11/59/33/287115933.db2.gz XTOPDHHJAMXUAF-QKMNUUQDSA-N 2 1 318.505 2.935 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@H](C)C1 ZINC000129401268 196044744 /nfs/dbraw/zinc/04/47/44/196044744.db2.gz IPJLUASVDXBBGW-APWZRJJASA-N 2 1 312.461 2.751 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129424578 196047944 /nfs/dbraw/zinc/04/79/44/196047944.db2.gz WUEOXTLZICTLSJ-GPMSIDNRSA-N 2 1 312.461 2.750 20 0 DFADMP COc1cccc(OCC[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130652553 196099216 /nfs/dbraw/zinc/09/92/16/196099216.db2.gz PYGVFXNEGAISCY-UHFFFAOYSA-N 2 1 303.406 2.601 20 0 DFADMP COc1cccc(OCC[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000130652553 196099218 /nfs/dbraw/zinc/09/92/18/196099218.db2.gz PYGVFXNEGAISCY-UHFFFAOYSA-N 2 1 303.406 2.601 20 0 DFADMP C[N@H+](Cc1cnn(Cc2ccccc2)c1)CC1CC[NH+](C)CC1 ZINC000131929368 196210592 /nfs/dbraw/zinc/21/05/92/196210592.db2.gz CTBLNTFCDOWHTD-UHFFFAOYSA-N 2 1 312.461 2.705 20 0 DFADMP COc1ccccc1N1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000133261735 196326203 /nfs/dbraw/zinc/32/62/03/196326203.db2.gz RDXPZZADBCRWDS-ULQDDVLXSA-N 2 1 317.477 2.594 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C)OCCCO2)CC1 ZINC000366772689 287310998 /nfs/dbraw/zinc/31/09/98/287310998.db2.gz LEFJIADSTAQIPL-NVXWUHKLSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667561239 543630886 /nfs/dbraw/zinc/63/08/86/543630886.db2.gz PRVFFXBSNCBFRL-SJORKVTESA-N 2 1 316.493 2.916 20 0 DFADMP CCc1cccc2cc(CN3CCC([N@@H+](C)CCO)CC3)oc21 ZINC000667611452 543640916 /nfs/dbraw/zinc/64/09/16/543640916.db2.gz ORKKBIZZNANQKK-UHFFFAOYSA-N 2 1 316.445 2.884 20 0 DFADMP CCOc1ccc(CN2CCC([N@@H+](C)C[C@@H](C)O)CC2)c(C)c1 ZINC000667611481 543641080 /nfs/dbraw/zinc/64/10/80/543641080.db2.gz PTJSRVJYINZBJB-MRXNPFEDSA-N 2 1 320.477 2.671 20 0 DFADMP Cc1cccc2[nH]c(CN3CCC([N@@H+](C)CCCO)CC3)cc21 ZINC000667636955 543646848 /nfs/dbraw/zinc/64/68/48/543646848.db2.gz BXFQBIZOVDCALD-UHFFFAOYSA-N 2 1 315.461 2.755 20 0 DFADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667493828 543617947 /nfs/dbraw/zinc/61/79/47/543617947.db2.gz DSQVBJKSRSXUSC-LJQANCHMSA-N 2 1 318.461 2.770 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000667493828 543617949 /nfs/dbraw/zinc/61/79/49/543617949.db2.gz DSQVBJKSRSXUSC-LJQANCHMSA-N 2 1 318.461 2.770 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667835056 543689003 /nfs/dbraw/zinc/68/90/03/543689003.db2.gz HKRMOLYWKIMIKW-HOJAQTOUSA-N 2 1 314.473 2.708 20 0 DFADMP c1cc(C[N@@H+]2CC[C@H](C3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682701 543659234 /nfs/dbraw/zinc/65/92/34/543659234.db2.gz UFSSEXHKMBNJCS-INIZCTEOSA-N 2 1 312.417 2.516 20 0 DFADMP c1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667682701 543659237 /nfs/dbraw/zinc/65/92/37/543659237.db2.gz UFSSEXHKMBNJCS-INIZCTEOSA-N 2 1 312.417 2.516 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c2cccs2)CC1 ZINC000667761978 543674371 /nfs/dbraw/zinc/67/43/71/543674371.db2.gz ILHYNBSNDRUUTN-YYIAUSFCSA-N 2 1 319.518 2.815 20 0 DFADMP Cc1c(Br)cncc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000668020211 543724891 /nfs/dbraw/zinc/72/48/91/543724891.db2.gz HCTKEXBSBOXLNI-GFCCVEGCSA-N 2 1 312.255 2.536 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667962782 543713614 /nfs/dbraw/zinc/71/36/14/543713614.db2.gz ZPTOHBKMNUKPLZ-XFWGSAIBSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@@H]1CC2(C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1)CCOCC2 ZINC000668277803 543782492 /nfs/dbraw/zinc/78/24/92/543782492.db2.gz QJDKGVIUIRPJCP-OAHLLOKOSA-N 2 1 312.417 2.658 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1)CCOCC2 ZINC000668277803 543782496 /nfs/dbraw/zinc/78/24/96/543782496.db2.gz QJDKGVIUIRPJCP-OAHLLOKOSA-N 2 1 312.417 2.658 20 0 DFADMP CC[N@@H+](Cc1cnc(C)n1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160952 543754411 /nfs/dbraw/zinc/75/44/11/543754411.db2.gz MDLWGRPMHLJVNZ-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489011 543814293 /nfs/dbraw/zinc/81/42/93/543814293.db2.gz JBPZBOJLFPTPRG-YDZRNGNQSA-N 2 1 300.446 2.531 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2cc(F)cc(Br)c2)C1 ZINC000668539275 543820993 /nfs/dbraw/zinc/82/09/93/543820993.db2.gz RDKCRGAEQZGFQY-UHFFFAOYSA-N 2 1 301.203 2.582 20 0 DFADMP CN(Cc1cc(F)cc(Br)c1)CC1C[NH+](C)C1 ZINC000668539275 543820996 /nfs/dbraw/zinc/82/09/96/543820996.db2.gz RDKCRGAEQZGFQY-UHFFFAOYSA-N 2 1 301.203 2.582 20 0 DFADMP CCn1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000668655915 543842547 /nfs/dbraw/zinc/84/25/47/543842547.db2.gz WZEVMYHDIFPHFE-NVXWUHKLSA-N 2 1 320.481 2.586 20 0 DFADMP C[NH+](C)[C@H](C(=O)N1CCC[C@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000442630480 297198469 /nfs/dbraw/zinc/19/84/69/297198469.db2.gz VPXBWXRJHXYBKO-CJNGLKHVSA-N 2 1 323.868 2.530 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1COCc2ccccc21 ZINC000669573697 543967942 /nfs/dbraw/zinc/96/79/42/543967942.db2.gz JFKBATXSQBGSFC-LJQANCHMSA-N 2 1 320.396 2.937 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC34CCC4)C2)nc(C)[nH+]1 ZINC000669702198 543985860 /nfs/dbraw/zinc/98/58/60/543985860.db2.gz CCNXETDYBNPFIQ-HOTGVXAUSA-N 2 1 300.450 2.985 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723619 544102262 /nfs/dbraw/zinc/10/22/62/544102262.db2.gz PATLCQQXLIKGTR-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723619 544102265 /nfs/dbraw/zinc/10/22/65/544102265.db2.gz PATLCQQXLIKGTR-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723619 544102268 /nfs/dbraw/zinc/10/22/68/544102268.db2.gz PATLCQQXLIKGTR-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741615 544105563 /nfs/dbraw/zinc/10/55/63/544105563.db2.gz ZSTGEUKHQZKPHW-YUTCNCBUSA-N 2 1 301.390 2.811 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(C)c1OC ZINC000671756253 544107435 /nfs/dbraw/zinc/10/74/35/544107435.db2.gz FTAPLUDWRWEZCA-ZIAGYGMSSA-N 2 1 315.417 2.874 20 0 DFADMP COc1cccc(O[C@@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297334671 227024956 /nfs/dbraw/zinc/02/49/56/227024956.db2.gz DAQPUPAVXSIGAE-AWEZNQCLSA-N 2 1 304.434 2.679 20 0 DFADMP COc1cccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000674049783 544216245 /nfs/dbraw/zinc/21/62/45/544216245.db2.gz ZKGIJSZORMWVCG-KXBFYZLASA-N 2 1 318.461 2.989 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000674245300 544225909 /nfs/dbraw/zinc/22/59/09/544225909.db2.gz JXIYHXJQAOHZIX-CABCVRRESA-N 2 1 303.450 2.950 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000674351999 544234181 /nfs/dbraw/zinc/23/41/81/544234181.db2.gz GDDVCWWTNQCAME-RCCFBDPRSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC)C[C@@H]2C)cc1 ZINC000674824592 544264369 /nfs/dbraw/zinc/26/43/69/544264369.db2.gz AJSWOOQQHZPZGY-MAUKXSAKSA-N 2 1 317.477 2.598 20 0 DFADMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cnc(-c3ccncc3)s1)C2 ZINC000674676636 544250780 /nfs/dbraw/zinc/25/07/80/544250780.db2.gz VVUSCLKIZKJXED-ZDUSSCGKSA-N 2 1 311.414 2.506 20 0 DFADMP c1[nH+]cn2cc(C[NH2+]Cc3cccc4c3OCCCO4)ccc12 ZINC000297568722 227315225 /nfs/dbraw/zinc/31/52/25/227315225.db2.gz RBJQMWDDKVSJKM-UHFFFAOYSA-N 2 1 309.369 2.785 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000675750833 544333758 /nfs/dbraw/zinc/33/37/58/544333758.db2.gz JPAMXQAQVQTEMY-MAUKXSAKSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000675750833 544333760 /nfs/dbraw/zinc/33/37/60/544333760.db2.gz JPAMXQAQVQTEMY-MAUKXSAKSA-N 2 1 305.466 2.617 20 0 DFADMP O[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000675766634 544334451 /nfs/dbraw/zinc/33/44/51/544334451.db2.gz LKUZKCKOWYWEQJ-OALUTQOASA-N 2 1 320.452 2.726 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C(C)(C)O1 ZINC000675882350 544341246 /nfs/dbraw/zinc/34/12/46/544341246.db2.gz RABHVVPHNHDADB-JKSUJKDBSA-N 2 1 310.482 2.566 20 0 DFADMP C[C@H](Cc1cccs1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883274 544341275 /nfs/dbraw/zinc/34/12/75/544341275.db2.gz ZGSUMPWRSZCOQV-ZBFHGGJFSA-N 2 1 308.491 2.912 20 0 DFADMP C[C@@H](Cc1ccsc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880102 544341320 /nfs/dbraw/zinc/34/13/20/544341320.db2.gz BFFGROAKPPHOMI-WMLDXEAASA-N 2 1 308.491 2.912 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](Cn1cccn1)c1ccccc1 ZINC000675899411 544342860 /nfs/dbraw/zinc/34/28/60/544342860.db2.gz GPEUPAWBRAYGQO-LZQZEXGQSA-N 2 1 310.445 2.697 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CC1 ZINC000676840707 544409460 /nfs/dbraw/zinc/40/94/60/544409460.db2.gz GLASADBXEWZSNX-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000677236528 544456736 /nfs/dbraw/zinc/45/67/36/544456736.db2.gz DWHICMIZFNPSQT-NVXWUHKLSA-N 2 1 301.434 2.752 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000677236528 544456739 /nfs/dbraw/zinc/45/67/39/544456739.db2.gz DWHICMIZFNPSQT-NVXWUHKLSA-N 2 1 301.434 2.752 20 0 DFADMP COCC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(C)cc1C ZINC000677981875 544575079 /nfs/dbraw/zinc/57/50/79/544575079.db2.gz JQCXYWDBMAFNOQ-UHFFFAOYSA-N 2 1 301.434 2.957 20 0 DFADMP COCC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(C)cc1C ZINC000677981875 544575081 /nfs/dbraw/zinc/57/50/81/544575081.db2.gz JQCXYWDBMAFNOQ-UHFFFAOYSA-N 2 1 301.434 2.957 20 0 DFADMP CC[C@@H](C[NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1 ZINC000678074326 544594831 /nfs/dbraw/zinc/59/48/31/544594831.db2.gz GAWRSOSENCVIMV-SFHVURJKSA-N 2 1 303.494 2.797 20 0 DFADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000678235448 544627170 /nfs/dbraw/zinc/62/71/70/544627170.db2.gz JYQMKBANDXNSBU-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccc(C(=O)NC2CC2)cc1 ZINC000678235448 544627174 /nfs/dbraw/zinc/62/71/74/544627174.db2.gz JYQMKBANDXNSBU-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP c1ccc2c(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)n[nH]c2c1 ZINC000678500678 544684445 /nfs/dbraw/zinc/68/44/45/544684445.db2.gz VOHHQBVFTPQIPG-UHFFFAOYSA-N 2 1 321.428 2.964 20 0 DFADMP C[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC12CCC2 ZINC000678469312 544679749 /nfs/dbraw/zinc/67/97/49/544679749.db2.gz NMOPDWPOKGRNMK-PKOBYXMFSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC12CCC2 ZINC000678469312 544679753 /nfs/dbraw/zinc/67/97/53/544679753.db2.gz NMOPDWPOKGRNMK-PKOBYXMFSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC12CCC2 ZINC000678469312 544679756 /nfs/dbraw/zinc/67/97/56/544679756.db2.gz NMOPDWPOKGRNMK-PKOBYXMFSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC12CCC2 ZINC000678469312 544679760 /nfs/dbraw/zinc/67/97/60/544679760.db2.gz NMOPDWPOKGRNMK-PKOBYXMFSA-N 2 1 316.489 2.991 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678267923 544637537 /nfs/dbraw/zinc/63/75/37/544637537.db2.gz SYZLQIMEPKYWPM-UHFFFAOYSA-N 2 1 302.462 2.843 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678267923 544637542 /nfs/dbraw/zinc/63/75/42/544637542.db2.gz SYZLQIMEPKYWPM-UHFFFAOYSA-N 2 1 302.462 2.843 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3n2C)CC[N@H+]1C ZINC000678592355 544698315 /nfs/dbraw/zinc/69/83/15/544698315.db2.gz QNGMZLYEGQGVMB-GJZGRUSLSA-N 2 1 300.450 2.578 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCc2nc3ccccc3n2C)CC[N@H+]1C ZINC000678592358 544698710 /nfs/dbraw/zinc/69/87/10/544698710.db2.gz QNGMZLYEGQGVMB-HUUCEWRRSA-N 2 1 300.450 2.578 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C12CCC2 ZINC000678928815 544751656 /nfs/dbraw/zinc/75/16/56/544751656.db2.gz XFPUSJPBKMBCKN-KZNAEPCWSA-N 2 1 322.493 2.567 20 0 DFADMP COC[C@@H](CC(C)C)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000679031821 544771788 /nfs/dbraw/zinc/77/17/88/544771788.db2.gz IYFPAQJGBWAZHL-IAGOWNOFSA-N 2 1 320.481 2.713 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C2CC[NH+](CCO)CC2)C(C)C)cc1 ZINC000679037554 544772763 /nfs/dbraw/zinc/77/27/63/544772763.db2.gz VXXHCCHBQOPAEX-IBGZPJMESA-N 2 1 304.478 2.608 20 0 DFADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679038740 544773328 /nfs/dbraw/zinc/77/33/28/544773328.db2.gz QAUHRYHNMFKXSZ-MRXNPFEDSA-N 2 1 304.478 2.789 20 0 DFADMP CCCOc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000679318897 544832116 /nfs/dbraw/zinc/83/21/16/544832116.db2.gz KAZSZEKVNYRMSJ-UHFFFAOYSA-N 2 1 319.493 2.545 20 0 DFADMP OCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000679722211 544905571 /nfs/dbraw/zinc/90/55/71/544905571.db2.gz ZBWIKNPQLNXLKG-GUDVDZBRSA-N 2 1 314.473 2.649 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2ccccc21 ZINC000679840657 544916663 /nfs/dbraw/zinc/91/66/63/544916663.db2.gz AASIFGGDACGYDH-SFHVURJKSA-N 2 1 315.461 2.947 20 0 DFADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000680004034 544942055 /nfs/dbraw/zinc/94/20/55/544942055.db2.gz VSILNMXDBNOGJV-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000680352648 544996486 /nfs/dbraw/zinc/99/64/86/544996486.db2.gz OKSSEMZTLHFRED-BJZITVGISA-N 2 1 302.462 2.872 20 0 DFADMP C[C@@H]([NH2+]CCCc1cnn(C)c1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401422 545004560 /nfs/dbraw/zinc/00/45/60/545004560.db2.gz ZCVLUJUAJVNOTC-NVXWUHKLSA-N 2 1 304.482 2.595 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000102514940 425922103 /nfs/dbraw/zinc/92/21/03/425922103.db2.gz KMSBREVLNUCPOC-KRWDZBQOSA-N 2 1 310.482 2.774 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000102514940 425922107 /nfs/dbraw/zinc/92/21/07/425922107.db2.gz KMSBREVLNUCPOC-KRWDZBQOSA-N 2 1 310.482 2.774 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155921467 425929796 /nfs/dbraw/zinc/92/97/96/425929796.db2.gz GAFYSYDFSYTJDD-HZPDHXFCSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCC2OCCO2)CC1 ZINC000124682290 425933360 /nfs/dbraw/zinc/93/33/60/425933360.db2.gz HVDPCKJABJUGSU-MRXNPFEDSA-N 2 1 310.482 2.726 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Br)cs2)C1 ZINC000044533889 425856912 /nfs/dbraw/zinc/85/69/12/425856912.db2.gz SFLGFLZBZCAEDO-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP COC(=O)C1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000192440008 268036993 /nfs/dbraw/zinc/03/69/93/268036993.db2.gz TZRYVNFPVCOVKK-FHERZECASA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@H](C)C2)CC1 ZINC000192440008 268036996 /nfs/dbraw/zinc/03/69/96/268036996.db2.gz TZRYVNFPVCOVKK-FHERZECASA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C1CCC([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000192439368 268037034 /nfs/dbraw/zinc/03/70/34/268037034.db2.gz GYUDQNSXQXJWAV-RYTJFDOTSA-N 2 1 310.482 2.676 20 0 DFADMP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193117798 268060728 /nfs/dbraw/zinc/06/07/28/268060728.db2.gz PUPZGXHCTZFKON-XYJFISCASA-N 2 1 310.482 2.772 20 0 DFADMP CC[N@@H+](Cc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800601 268144448 /nfs/dbraw/zinc/14/44/48/268144448.db2.gz XXKRLQZLCNNGFZ-IRXDYDNUSA-N 2 1 304.459 2.501 20 0 DFADMP CC[N@H+](Cc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000227800601 268144449 /nfs/dbraw/zinc/14/44/49/268144449.db2.gz XXKRLQZLCNNGFZ-IRXDYDNUSA-N 2 1 304.459 2.501 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH2+]C)cc1)C(C)C ZINC000236923585 268152241 /nfs/dbraw/zinc/15/22/41/268152241.db2.gz RWQSCGIOUKCCSG-OAHLLOKOSA-N 2 1 305.466 2.502 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000237272780 268156122 /nfs/dbraw/zinc/15/61/22/268156122.db2.gz JOVDLVADNHKTLN-HNNXBMFYSA-N 2 1 323.440 2.791 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000237272780 268156127 /nfs/dbraw/zinc/15/61/27/268156127.db2.gz JOVDLVADNHKTLN-HNNXBMFYSA-N 2 1 323.440 2.791 20 0 DFADMP C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000267258832 268180245 /nfs/dbraw/zinc/18/02/45/268180245.db2.gz PUBRSUCDUCTRME-XHSDSOJGSA-N 2 1 317.477 2.518 20 0 DFADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@H]3C)C2)c1 ZINC000268867560 268185678 /nfs/dbraw/zinc/18/56/78/268185678.db2.gz TUYLKPJCRZLQJU-OAFZBRQQSA-N 2 1 317.477 2.592 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000268869709 268186248 /nfs/dbraw/zinc/18/62/48/268186248.db2.gz UVEDDQRFTCUWAB-INIZCTEOSA-N 2 1 306.475 2.660 20 0 DFADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268853599 268186316 /nfs/dbraw/zinc/18/63/16/268186316.db2.gz QIQNZJXZPPPASI-WMZOPIPTSA-N 2 1 320.477 2.829 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnc(-c3ccccc3)[nH]1)C2 ZINC000275390965 268258566 /nfs/dbraw/zinc/25/85/66/268258566.db2.gz BYLMTUIMZVVKMP-CQSZACIVSA-N 2 1 307.401 2.625 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000289543131 268280496 /nfs/dbraw/zinc/28/04/96/268280496.db2.gz CRBAFHWESZFZLO-LZLYRXPVSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000289543131 268280499 /nfs/dbraw/zinc/28/04/99/268280499.db2.gz CRBAFHWESZFZLO-LZLYRXPVSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000289543131 268280501 /nfs/dbraw/zinc/28/05/01/268280501.db2.gz CRBAFHWESZFZLO-LZLYRXPVSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289543131 268280503 /nfs/dbraw/zinc/28/05/03/268280503.db2.gz CRBAFHWESZFZLO-LZLYRXPVSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(N2CCCC2)n1 ZINC000289761181 268281732 /nfs/dbraw/zinc/28/17/32/268281732.db2.gz LPTGQGSWVUGUDE-ROUUACIJSA-N 2 1 314.477 2.707 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(N2CCCC2)n1 ZINC000289761181 268281734 /nfs/dbraw/zinc/28/17/34/268281734.db2.gz LPTGQGSWVUGUDE-ROUUACIJSA-N 2 1 314.477 2.707 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C)n2n1 ZINC000295919183 268297523 /nfs/dbraw/zinc/29/75/23/268297523.db2.gz JUROVPPRFJRRSU-OHRKKDJYSA-N 2 1 313.449 2.622 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C)n2n1 ZINC000295919183 268297524 /nfs/dbraw/zinc/29/75/24/268297524.db2.gz JUROVPPRFJRRSU-OHRKKDJYSA-N 2 1 313.449 2.622 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000309886303 268336736 /nfs/dbraw/zinc/33/67/36/268336736.db2.gz LGKJKCZHHAYCGV-AWEZNQCLSA-N 2 1 313.486 2.704 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000309886303 268336737 /nfs/dbraw/zinc/33/67/37/268336737.db2.gz LGKJKCZHHAYCGV-AWEZNQCLSA-N 2 1 313.486 2.704 20 0 DFADMP CC[C@@H](O)[C@@H](CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000313099581 268338494 /nfs/dbraw/zinc/33/84/94/268338494.db2.gz FPNBWHPIRLHWHR-RTBURBONSA-N 2 1 304.478 2.833 20 0 DFADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313361460 268339843 /nfs/dbraw/zinc/33/98/43/268339843.db2.gz UJMMYTGJPKKXMB-SMDDNHRTSA-N 2 1 318.339 2.696 20 0 DFADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313361460 268339845 /nfs/dbraw/zinc/33/98/45/268339845.db2.gz UJMMYTGJPKKXMB-SMDDNHRTSA-N 2 1 318.339 2.696 20 0 DFADMP c1csc(-c2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)no2)c1 ZINC000314992237 268342465 /nfs/dbraw/zinc/34/24/65/268342465.db2.gz VORHWQLLAOKYKP-BETUJISGSA-N 2 1 303.431 2.835 20 0 DFADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)c(C)c1 ZINC000316054291 268344335 /nfs/dbraw/zinc/34/43/35/268344335.db2.gz WXBKTMNIEHAOOI-UHFFFAOYSA-N 2 1 303.450 2.611 20 0 DFADMP CC(C)[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CC1 ZINC000316063232 268344813 /nfs/dbraw/zinc/34/48/13/268344813.db2.gz YVMKCWPCEYMTEW-QYZOEREBSA-N 2 1 304.478 2.675 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(F)ccc1Br ZINC000049330269 425879012 /nfs/dbraw/zinc/87/90/12/425879012.db2.gz TVFYYPSCGSTDHU-UHFFFAOYSA-N 2 1 312.186 2.883 20 0 DFADMP C[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000157877616 425938732 /nfs/dbraw/zinc/93/87/32/425938732.db2.gz HCCWLAYELHOBGS-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP C[N@H+](CCN1CC[NH2+]CC1)Cc1sc2ccccc2c1Cl ZINC000071150269 425983127 /nfs/dbraw/zinc/98/31/27/425983127.db2.gz SWXQHWZGRAHWGR-UHFFFAOYSA-N 2 1 323.893 2.892 20 0 DFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1sc2ccccc2c1Cl ZINC000071150269 425983130 /nfs/dbraw/zinc/98/31/30/425983130.db2.gz SWXQHWZGRAHWGR-UHFFFAOYSA-N 2 1 323.893 2.892 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)ccc3C)C2)CC1 ZINC000107368973 425989880 /nfs/dbraw/zinc/98/98/80/425989880.db2.gz DOBWSHUJPHCBNA-IBGZPJMESA-N 2 1 301.478 2.515 20 0 DFADMP CC1(C)Cc2cc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)ccc2O1 ZINC000103340242 425943698 /nfs/dbraw/zinc/94/36/98/425943698.db2.gz DTIWNRPHYVGICL-OAHLLOKOSA-N 2 1 300.446 2.974 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158755356 425946887 /nfs/dbraw/zinc/94/68/87/425946887.db2.gz ZWEVVUCCPNSOPE-XWTMOSNGSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158755356 425946888 /nfs/dbraw/zinc/94/68/88/425946888.db2.gz ZWEVVUCCPNSOPE-XWTMOSNGSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158755356 425946891 /nfs/dbraw/zinc/94/68/91/425946891.db2.gz ZWEVVUCCPNSOPE-XWTMOSNGSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158755356 425946893 /nfs/dbraw/zinc/94/68/93/425946893.db2.gz ZWEVVUCCPNSOPE-XWTMOSNGSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158755356 425946897 /nfs/dbraw/zinc/94/68/97/425946897.db2.gz ZWEVVUCCPNSOPE-XWTMOSNGSA-N 2 1 321.509 2.582 20 0 DFADMP COCCOCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158839773 425948440 /nfs/dbraw/zinc/94/84/40/425948440.db2.gz UDDGHXAMQMLDCD-KRWDZBQOSA-N 2 1 312.498 2.626 20 0 DFADMP CCOC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158969275 425951122 /nfs/dbraw/zinc/95/11/22/425951122.db2.gz FDHAUIRAVNVYIB-INIZCTEOSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000158953983 425951236 /nfs/dbraw/zinc/95/12/36/425951236.db2.gz AVRGSPYMHRRQLD-SJLPKXTDSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000158953983 425951239 /nfs/dbraw/zinc/95/12/39/425951239.db2.gz AVRGSPYMHRRQLD-SJLPKXTDSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCC1 ZINC000158953983 425951243 /nfs/dbraw/zinc/95/12/43/425951243.db2.gz AVRGSPYMHRRQLD-SJLPKXTDSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CCCC1 ZINC000158953983 425951245 /nfs/dbraw/zinc/95/12/45/425951245.db2.gz AVRGSPYMHRRQLD-SJLPKXTDSA-N 2 1 321.509 2.582 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125071764 425951798 /nfs/dbraw/zinc/95/17/98/425951798.db2.gz MLHDBDCHMWWXNJ-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000125071764 425951800 /nfs/dbraw/zinc/95/18/00/425951800.db2.gz MLHDBDCHMWWXNJ-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000125071764 425951802 /nfs/dbraw/zinc/95/18/02/425951802.db2.gz MLHDBDCHMWWXNJ-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccco1 ZINC000104149209 425959808 /nfs/dbraw/zinc/95/98/08/425959808.db2.gz OFRUUQQGPUFCAG-HOTGVXAUSA-N 2 1 321.465 2.653 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCCc2ccccc2)[C@H](C)C1 ZINC000125302064 425964721 /nfs/dbraw/zinc/96/47/21/425964721.db2.gz FRCYEXGQSSQNTE-IEBWSBKVSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174485 425968631 /nfs/dbraw/zinc/96/86/31/425968631.db2.gz YRIHCGOCFSUHCK-QWHCGFSZSA-N 2 1 309.841 2.728 20 0 DFADMP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000125366222 425969026 /nfs/dbraw/zinc/96/90/26/425969026.db2.gz FATWSBOYLLBNSH-LESCRADOSA-N 2 1 306.450 2.580 20 0 DFADMP C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CC[NH+](C)C1 ZINC000070822990 425976282 /nfs/dbraw/zinc/97/62/82/425976282.db2.gz WFTIUHSJLTZJIV-JTQLQIEISA-N 2 1 303.269 2.894 20 0 DFADMP C[N@H+](Cc1cc(Br)cs1)C[C@H]1CC[NH+](C)C1 ZINC000070822990 425976285 /nfs/dbraw/zinc/97/62/85/425976285.db2.gz WFTIUHSJLTZJIV-JTQLQIEISA-N 2 1 303.269 2.894 20 0 DFADMP C[NH+](Cc1cc(Br)cs1)C[C@H]1CC[N@H+](C)C1 ZINC000070822990 425976287 /nfs/dbraw/zinc/97/62/87/425976287.db2.gz WFTIUHSJLTZJIV-JTQLQIEISA-N 2 1 303.269 2.894 20 0 DFADMP C[NH+](Cc1cc(Br)cs1)C[C@H]1CC[N@@H+](C)C1 ZINC000070822990 425976288 /nfs/dbraw/zinc/97/62/88/425976288.db2.gz WFTIUHSJLTZJIV-JTQLQIEISA-N 2 1 303.269 2.894 20 0 DFADMP Cc1cccc(C[NH+]2CCC([NH2+]CC3=CCCOC3)CC2)c1 ZINC000126532044 426023906 /nfs/dbraw/zinc/02/39/06/426023906.db2.gz LBGALJAJFABWDL-UHFFFAOYSA-N 2 1 300.446 2.896 20 0 DFADMP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000126669172 426031159 /nfs/dbraw/zinc/03/11/59/426031159.db2.gz ZBGNIQPCRAAUQE-VQTJNVASSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000126669172 426031162 /nfs/dbraw/zinc/03/11/62/426031162.db2.gz ZBGNIQPCRAAUQE-VQTJNVASSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc1 ZINC000126669172 426031165 /nfs/dbraw/zinc/03/11/65/426031165.db2.gz ZBGNIQPCRAAUQE-VQTJNVASSA-N 2 1 313.489 2.867 20 0 DFADMP CC[C@@H](COC)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000161754596 426037526 /nfs/dbraw/zinc/03/75/26/426037526.db2.gz ZPQYMNXZIZREPQ-HNNXBMFYSA-N 2 1 311.495 2.678 20 0 DFADMP Cc1cn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C)nc2s1 ZINC000111158502 426037569 /nfs/dbraw/zinc/03/75/69/426037569.db2.gz IVZURECQSCLTIH-ZIAGYGMSSA-N 2 1 304.463 2.729 20 0 DFADMP Cc1cn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c(C)nc2s1 ZINC000111158502 426037572 /nfs/dbraw/zinc/03/75/72/426037572.db2.gz IVZURECQSCLTIH-ZIAGYGMSSA-N 2 1 304.463 2.729 20 0 DFADMP CCC[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000126863506 426039314 /nfs/dbraw/zinc/03/93/14/426039314.db2.gz XZNVIYLWOIYTDO-FUHWJXTLSA-N 2 1 319.493 2.744 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccn3C)c2)CCO1 ZINC000161784895 426039379 /nfs/dbraw/zinc/03/93/79/426039379.db2.gz SCYCYQMKEQACCX-INIZCTEOSA-N 2 1 313.445 2.536 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccn3C)c2)CCO1 ZINC000161784895 426039381 /nfs/dbraw/zinc/03/93/81/426039381.db2.gz SCYCYQMKEQACCX-INIZCTEOSA-N 2 1 313.445 2.536 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NCCOC)cc2)[C@H](C)C1 ZINC000127060206 426049537 /nfs/dbraw/zinc/04/95/37/426049537.db2.gz JRVZFCZSEWIVFF-QAPCUYQASA-N 2 1 305.466 2.565 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000111420880 426049838 /nfs/dbraw/zinc/04/98/38/426049838.db2.gz UUGZRJBFTKRDPZ-QGZVFWFLSA-N 2 1 318.465 2.744 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000162212868 426056741 /nfs/dbraw/zinc/05/67/41/426056741.db2.gz NBLSDHAGVFNQEU-GOSISDBHSA-N 2 1 321.465 2.632 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cncs3)CC2)nc(C)[nH+]1 ZINC000162255673 426058286 /nfs/dbraw/zinc/05/82/86/426058286.db2.gz GWNIQBMFKYQXEU-LBPRGKRZSA-N 2 1 317.462 2.870 20 0 DFADMP Cc1nccn1CCC[N@H+]1CCc2ccc([N+](=O)[O-])cc2C1 ZINC000127400181 426065357 /nfs/dbraw/zinc/06/53/57/426065357.db2.gz JGAIDFYMWHNUOY-UHFFFAOYSA-N 2 1 300.362 2.548 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162634215 426070864 /nfs/dbraw/zinc/07/08/64/426070864.db2.gz GFLGSJVVUBXSOK-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162634215 426070867 /nfs/dbraw/zinc/07/08/67/426070867.db2.gz GFLGSJVVUBXSOK-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1ccc(C)c(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126430094 426019545 /nfs/dbraw/zinc/01/95/45/426019545.db2.gz JQZBBCYSHBKIPR-UHFFFAOYSA-N 2 1 303.494 2.761 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000163085987 426088201 /nfs/dbraw/zinc/08/82/01/426088201.db2.gz YIZCCIODCQVODA-ZYHUDNBSSA-N 2 1 317.264 2.873 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2ccnn2C)CC1 ZINC000163091718 426088389 /nfs/dbraw/zinc/08/83/89/426088389.db2.gz VMBRVOPFCVUZEP-UHFFFAOYSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000163171320 426091000 /nfs/dbraw/zinc/09/10/00/426091000.db2.gz JNJJRFBCFGCVBO-KRWDZBQOSA-N 2 1 301.438 2.641 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000163171320 426091003 /nfs/dbraw/zinc/09/10/03/426091003.db2.gz JNJJRFBCFGCVBO-KRWDZBQOSA-N 2 1 301.438 2.641 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000076002866 426093144 /nfs/dbraw/zinc/09/31/44/426093144.db2.gz MLRNGFSVRULPGN-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000076002866 426093146 /nfs/dbraw/zinc/09/31/46/426093146.db2.gz MLRNGFSVRULPGN-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244982 426093531 /nfs/dbraw/zinc/09/35/31/426093531.db2.gz DYISIGCXXRQRDV-RBUKOAKNSA-N 2 1 302.462 2.804 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244982 426093534 /nfs/dbraw/zinc/09/35/34/426093534.db2.gz DYISIGCXXRQRDV-RBUKOAKNSA-N 2 1 302.462 2.804 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244982 426093536 /nfs/dbraw/zinc/09/35/36/426093536.db2.gz DYISIGCXXRQRDV-RBUKOAKNSA-N 2 1 302.462 2.804 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244982 426093540 /nfs/dbraw/zinc/09/35/40/426093540.db2.gz DYISIGCXXRQRDV-RBUKOAKNSA-N 2 1 302.462 2.804 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000337951287 268583640 /nfs/dbraw/zinc/58/36/40/268583640.db2.gz RMUWYGBEEXXTAF-UHFFFAOYSA-N 2 1 313.430 2.890 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1C ZINC000113222287 426108095 /nfs/dbraw/zinc/10/80/95/426108095.db2.gz VFOJMGDSNIQSSY-DLBZAZTESA-N 2 1 309.498 2.584 20 0 DFADMP CC[C@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000165341323 426121614 /nfs/dbraw/zinc/12/16/14/426121614.db2.gz OTQVESJCXRHOOZ-HNNXBMFYSA-N 2 1 300.406 2.731 20 0 DFADMP C[N@@H+](Cc1ccccc1CNC(=O)CCC[NH3+])C1CCCCC1 ZINC000165885529 426124435 /nfs/dbraw/zinc/12/44/35/426124435.db2.gz HBIVWUXFQVIEAV-UHFFFAOYSA-N 2 1 317.477 2.806 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000162891142 426080818 /nfs/dbraw/zinc/08/08/18/426080818.db2.gz KSOFZOUVGOHIMH-MSOLQXFVSA-N 2 1 317.477 2.675 20 0 DFADMP CCC[N@H+](CCCCO)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477103 426137688 /nfs/dbraw/zinc/13/76/88/426137688.db2.gz QCXJEAZXDMKPCU-UHFFFAOYSA-N 2 1 320.481 2.547 20 0 DFADMP CCC[N@@H+](CCCCO)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477103 426137689 /nfs/dbraw/zinc/13/76/89/426137689.db2.gz QCXJEAZXDMKPCU-UHFFFAOYSA-N 2 1 320.481 2.547 20 0 DFADMP OC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCCC1 ZINC000079695042 426200431 /nfs/dbraw/zinc/20/04/31/426200431.db2.gz OXMMJCWLRIABOX-UHFFFAOYSA-N 2 1 302.462 2.936 20 0 DFADMP C[N@@H+](CCCO)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000115519455 426166406 /nfs/dbraw/zinc/16/64/06/426166406.db2.gz KFCWAJBMSZWLGR-UHFFFAOYSA-N 2 1 317.408 2.657 20 0 DFADMP C[NH+](C)CC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000171203694 426176565 /nfs/dbraw/zinc/17/65/65/426176565.db2.gz PVKIYPHOWXQGLR-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP C[NH+](C)CC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000171203694 426176568 /nfs/dbraw/zinc/17/65/68/426176568.db2.gz PVKIYPHOWXQGLR-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP COC(=O)CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000078761430 426184872 /nfs/dbraw/zinc/18/48/72/426184872.db2.gz PKJZQRBQZSEDRT-UHFFFAOYSA-N 2 1 318.461 2.784 20 0 DFADMP COC(=O)CCC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000116390531 426189400 /nfs/dbraw/zinc/18/94/00/426189400.db2.gz GLOGDESJUZTBQM-UHFFFAOYSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171502478 426191738 /nfs/dbraw/zinc/19/17/38/426191738.db2.gz QIMQVDFLYWAJIR-QGZVFWFLSA-N 2 1 310.482 2.918 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000171502478 426191741 /nfs/dbraw/zinc/19/17/41/426191741.db2.gz QIMQVDFLYWAJIR-QGZVFWFLSA-N 2 1 310.482 2.918 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000079462347 426193815 /nfs/dbraw/zinc/19/38/15/426193815.db2.gz LTWIQESEVCRGTP-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000079462347 426193816 /nfs/dbraw/zinc/19/38/16/426193816.db2.gz LTWIQESEVCRGTP-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000079462347 426193819 /nfs/dbraw/zinc/19/38/19/426193819.db2.gz LTWIQESEVCRGTP-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)[C@H](C)C1 ZINC000079462347 426193821 /nfs/dbraw/zinc/19/38/21/426193821.db2.gz LTWIQESEVCRGTP-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1n1ccnc1 ZINC000136095539 426235120 /nfs/dbraw/zinc/23/51/20/426235120.db2.gz DCRFKTTYCDLUDL-WBVHZDCISA-N 2 1 318.465 2.557 20 0 DFADMP C[C@@H]1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1n1ccnc1 ZINC000136095539 426235123 /nfs/dbraw/zinc/23/51/23/426235123.db2.gz DCRFKTTYCDLUDL-WBVHZDCISA-N 2 1 318.465 2.557 20 0 DFADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000118773588 426244139 /nfs/dbraw/zinc/24/41/39/426244139.db2.gz AWPIJLDLTXAIJP-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP c1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000173873851 426248689 /nfs/dbraw/zinc/24/86/89/426248689.db2.gz IPMXVUFQQFACLU-SFHVURJKSA-N 2 1 314.473 2.972 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890184 426250431 /nfs/dbraw/zinc/25/04/31/426250431.db2.gz IYQFBJQNZQLMCB-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890184 426250435 /nfs/dbraw/zinc/25/04/35/426250435.db2.gz IYQFBJQNZQLMCB-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890184 426250438 /nfs/dbraw/zinc/25/04/38/426250438.db2.gz IYQFBJQNZQLMCB-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC000119021099 426256352 /nfs/dbraw/zinc/25/63/52/426256352.db2.gz GKYXMBYBMNWUBM-UHFFFAOYSA-N 2 1 306.425 2.601 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC(F)F ZINC000174515930 426259533 /nfs/dbraw/zinc/25/95/33/426259533.db2.gz MVGKJNXGBCSARM-WCQYABFASA-N 2 1 314.376 2.869 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC(F)F ZINC000174515930 426259536 /nfs/dbraw/zinc/25/95/36/426259536.db2.gz MVGKJNXGBCSARM-WCQYABFASA-N 2 1 314.376 2.869 20 0 DFADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)c1 ZINC000150764790 426260788 /nfs/dbraw/zinc/26/07/88/426260788.db2.gz UKOFTQNMZVVZOW-SFHVURJKSA-N 2 1 310.445 2.790 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H](C)C1 ZINC000119239766 426270856 /nfs/dbraw/zinc/27/08/56/426270856.db2.gz QKYBMVBSAYOLAH-APWZRJJASA-N 2 1 312.461 2.751 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000089427797 426290375 /nfs/dbraw/zinc/29/03/75/426290375.db2.gz NNBLYIIAISSFLI-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1cccc(C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CC2)c1 ZINC000151378606 426292482 /nfs/dbraw/zinc/29/24/82/426292482.db2.gz MEANVEZOWOPDBT-HXUWFJFHSA-N 2 1 316.489 2.753 20 0 DFADMP Cc1noc(CC[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000089518096 426295186 /nfs/dbraw/zinc/29/51/86/426295186.db2.gz HJFCHMSOOIHMOX-GFCCVEGCSA-N 2 1 311.389 2.765 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)[C@H](C)C1 ZINC000089673884 426301475 /nfs/dbraw/zinc/30/14/75/426301475.db2.gz YKMWETCHGFRWJE-UKRRQHHQSA-N 2 1 318.440 2.575 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120258909 426308327 /nfs/dbraw/zinc/30/83/27/426308327.db2.gz RLYXYXLLTWIUJL-QLFBSQMISA-N 2 1 313.486 2.562 20 0 DFADMP CCOc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OCC ZINC000120983089 426317184 /nfs/dbraw/zinc/31/71/84/426317184.db2.gz SEQYWZFQNOVEOA-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OCC ZINC000120983089 426317187 /nfs/dbraw/zinc/31/71/87/426317187.db2.gz SEQYWZFQNOVEOA-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1OCC ZINC000120983089 426317189 /nfs/dbraw/zinc/31/71/89/426317189.db2.gz SEQYWZFQNOVEOA-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1OCC ZINC000120983089 426317192 /nfs/dbraw/zinc/31/71/92/426317192.db2.gz SEQYWZFQNOVEOA-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)Cc2[nH+]cc(C)c(OC)c2C)[C@H](C)C1 ZINC000175720379 426322908 /nfs/dbraw/zinc/32/29/08/426322908.db2.gz TYUASYRGYBBOPV-PBHICJAKSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2[nH+]cc(C)c(OC)c2C)[C@H](C)C1 ZINC000175720379 426322911 /nfs/dbraw/zinc/32/29/11/426322911.db2.gz TYUASYRGYBBOPV-PBHICJAKSA-N 2 1 305.466 2.869 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000121238870 426328049 /nfs/dbraw/zinc/32/80/49/426328049.db2.gz BGMOXBHYTJEGEV-HLLBOEOZSA-N 2 1 300.450 2.745 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C/C=C/Cl)CC2)C[C@H](C)O1 ZINC000175797513 426329408 /nfs/dbraw/zinc/32/94/08/426329408.db2.gz WXOZYPUKDCPWJN-JRLNFQKPSA-N 2 1 300.874 2.950 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000152193009 426331386 /nfs/dbraw/zinc/33/13/86/426331386.db2.gz GEFFGBOPBIWHRA-UWVGGRQHSA-N 2 1 307.385 2.777 20 0 DFADMP Cc1ccccc1CCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000175908830 426339115 /nfs/dbraw/zinc/33/91/15/426339115.db2.gz ATBHPPRVFHUJHG-UHFFFAOYSA-N 2 1 304.478 2.706 20 0 DFADMP Cc1ccccc1CCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000175908830 426339120 /nfs/dbraw/zinc/33/91/20/426339120.db2.gz ATBHPPRVFHUJHG-UHFFFAOYSA-N 2 1 304.478 2.706 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214959 426282147 /nfs/dbraw/zinc/28/21/47/426282147.db2.gz JQQZQVHHAQELDL-MDZRGWNJSA-N 3 1 316.493 2.616 20 0 DFADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214959 426282151 /nfs/dbraw/zinc/28/21/51/426282151.db2.gz JQQZQVHHAQELDL-MDZRGWNJSA-N 2 1 316.493 2.616 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122821821 426396492 /nfs/dbraw/zinc/39/64/92/426396492.db2.gz KUKMADBRKDTMDX-ZFWWWQNUSA-N 2 1 304.434 2.623 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1cc(F)ccc1F ZINC000153747174 426403612 /nfs/dbraw/zinc/40/36/12/426403612.db2.gz KPLLETJYUCRJAY-MRXNPFEDSA-N 2 1 300.393 2.974 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1cc(F)ccc1F ZINC000153747174 426403614 /nfs/dbraw/zinc/40/36/14/426403614.db2.gz KPLLETJYUCRJAY-MRXNPFEDSA-N 2 1 300.393 2.974 20 0 DFADMP CCOC(=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000152689407 426350505 /nfs/dbraw/zinc/35/05/05/426350505.db2.gz OQRXYLCJEIKNLT-UHFFFAOYSA-N 2 1 320.433 2.764 20 0 DFADMP Cc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)sc1C ZINC000176387532 426376989 /nfs/dbraw/zinc/37/69/89/426376989.db2.gz KNVBSNGHVSTZMV-UHFFFAOYSA-N 2 1 323.506 2.837 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC[N@H+]1C ZINC000153582651 426393434 /nfs/dbraw/zinc/39/34/34/426393434.db2.gz RQWLUOJBGANLOK-WMZOPIPTSA-N 2 1 302.462 2.807 20 0 DFADMP C[C@@H]1C[C@H](NCc2cccnc2OC2CCCC2)CC[N@H+]1C ZINC000153875195 426412022 /nfs/dbraw/zinc/41/20/22/426412022.db2.gz JZPFPHCXJLHNST-GDBMZVCRSA-N 2 1 303.450 2.975 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@H+]1C ZINC000154004373 426419062 /nfs/dbraw/zinc/41/90/62/426419062.db2.gz JLVJKFPHXHJOFG-ZACQAIPSSA-N 2 1 305.466 2.879 20 0 DFADMP Cc1ccc([C@@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154030671 426420503 /nfs/dbraw/zinc/42/05/03/426420503.db2.gz MJRKKOJOPLBJTH-BHYGNILZSA-N 2 1 305.466 2.655 20 0 DFADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340976049 269031608 /nfs/dbraw/zinc/03/16/08/269031608.db2.gz JMNUEDGWKTYEOX-RDJZCZTQSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340976049 269031609 /nfs/dbraw/zinc/03/16/09/269031609.db2.gz JMNUEDGWKTYEOX-RDJZCZTQSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340976049 269031611 /nfs/dbraw/zinc/03/16/11/269031611.db2.gz JMNUEDGWKTYEOX-RDJZCZTQSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340976049 269031613 /nfs/dbraw/zinc/03/16/13/269031613.db2.gz JMNUEDGWKTYEOX-RDJZCZTQSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@@H]1C[C@H](NCc2c(C3CC3)nc3sccn23)CC[N@H+]1C ZINC000341273813 269056925 /nfs/dbraw/zinc/05/69/25/269056925.db2.gz XVORGDGTEIRTKT-DGCLKSJQSA-N 2 1 304.463 2.846 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)CCN1C ZINC000341273813 269056927 /nfs/dbraw/zinc/05/69/27/269056927.db2.gz XVORGDGTEIRTKT-DGCLKSJQSA-N 2 1 304.463 2.846 20 0 DFADMP CC(C)C[C@H](CNc1cc[nH+]cc1Br)[NH+](C)C ZINC000341437116 269077202 /nfs/dbraw/zinc/07/72/02/269077202.db2.gz XTAKDSXEXANQIT-LLVKDONJSA-N 2 1 300.244 2.654 20 0 DFADMP COCC[NH+]1CCC(N[C@@H]2CCCOc3cc(C)ccc32)CC1 ZINC000154832637 426457872 /nfs/dbraw/zinc/45/78/72/426457872.db2.gz OLRKWBZCPVAWGC-GOSISDBHSA-N 2 1 318.461 2.909 20 0 DFADMP C[NH+]1CCC([NH2+]CCCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000177237876 426458736 /nfs/dbraw/zinc/45/87/36/426458736.db2.gz MZJDIICMKNXPJY-UHFFFAOYSA-N 2 1 309.841 2.743 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2ccc(F)c(Br)c2)CC1 ZINC000177262257 426461703 /nfs/dbraw/zinc/46/17/03/426461703.db2.gz HBCDLLNUJDTJGB-UHFFFAOYSA-N 2 1 315.230 2.815 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177281541 426463426 /nfs/dbraw/zinc/46/34/26/426463426.db2.gz ZFMJTTDSCISORH-CQSZACIVSA-N 2 1 313.486 2.706 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177281541 426463436 /nfs/dbraw/zinc/46/34/36/426463436.db2.gz ZFMJTTDSCISORH-CQSZACIVSA-N 2 1 313.486 2.706 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177376692 426473119 /nfs/dbraw/zinc/47/31/19/426473119.db2.gz YDDCWKCNULAZGV-HNNXBMFYSA-N 2 1 307.457 2.845 20 0 DFADMP C[C@@H](c1ccccc1F)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177376692 426473122 /nfs/dbraw/zinc/47/31/22/426473122.db2.gz YDDCWKCNULAZGV-HNNXBMFYSA-N 2 1 307.457 2.845 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000124369787 426481987 /nfs/dbraw/zinc/48/19/87/426481987.db2.gz BYCBWWYGWFITFQ-ZIAGYGMSSA-N 2 1 304.434 2.839 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1NC1CC[NH+](CC2CC2)CC1 ZINC000280160819 426509453 /nfs/dbraw/zinc/50/94/53/426509453.db2.gz BYQIUFATAPGJTR-UHFFFAOYSA-N 2 1 303.406 2.545 20 0 DFADMP Cc1cnn(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272469881 426533910 /nfs/dbraw/zinc/53/39/10/426533910.db2.gz LEFKWKRFIOTKDN-MJGOQNOKSA-N 2 1 312.461 2.692 20 0 DFADMP Cc1nccn1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485142 426538370 /nfs/dbraw/zinc/53/83/70/426538370.db2.gz MMCKRRFTYYELSL-VQIMIIECSA-N 2 1 312.461 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485142 426538376 /nfs/dbraw/zinc/53/83/76/426538376.db2.gz MMCKRRFTYYELSL-VQIMIIECSA-N 3 1 312.461 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485142 426538379 /nfs/dbraw/zinc/53/83/79/426538379.db2.gz MMCKRRFTYYELSL-VQIMIIECSA-N 3 1 312.461 2.692 20 0 DFADMP C/C=C/C[C@@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186510203 426541296 /nfs/dbraw/zinc/54/12/96/426541296.db2.gz YKPORBWMBCVVTD-SFGXSAEXSA-N 2 1 314.473 2.814 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733466 426491915 /nfs/dbraw/zinc/49/19/15/426491915.db2.gz RWDNFEXAYLIEOW-INIZCTEOSA-N 2 1 315.461 2.821 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC1([NH+](C)C)CCC1)c1ccccc1 ZINC000187017113 426621029 /nfs/dbraw/zinc/62/10/29/426621029.db2.gz BDDZNWTUVWBJJV-KRWDZBQOSA-N 2 1 317.477 2.622 20 0 DFADMP COc1c(C)cnc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000178309594 426604833 /nfs/dbraw/zinc/60/48/33/426604833.db2.gz UNQFJUBCBUOZDJ-MRXNPFEDSA-N 2 1 314.433 2.877 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1C ZINC000178309594 426604837 /nfs/dbraw/zinc/60/48/37/426604837.db2.gz UNQFJUBCBUOZDJ-MRXNPFEDSA-N 2 1 314.433 2.877 20 0 DFADMP COc1ccnc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000273210934 426616103 /nfs/dbraw/zinc/61/61/03/426616103.db2.gz BQDXNYFNTUTSOA-GJZGRUSLSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccnc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000273210934 426616107 /nfs/dbraw/zinc/61/61/07/426616107.db2.gz BQDXNYFNTUTSOA-GJZGRUSLSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000273210938 426616388 /nfs/dbraw/zinc/61/63/88/426616388.db2.gz BQDXNYFNTUTSOA-LSDHHAIUSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccnc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000273210938 426616392 /nfs/dbraw/zinc/61/63/92/426616392.db2.gz BQDXNYFNTUTSOA-LSDHHAIUSA-N 2 1 303.450 2.833 20 0 DFADMP O[C@@H](CCc1ccccc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000273211717 426617448 /nfs/dbraw/zinc/61/74/48/426617448.db2.gz NKRPSPUSZWHRKB-FQEVSTJZSA-N 2 1 316.489 2.930 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCn2cccn2)CC1 ZINC000178388060 426619656 /nfs/dbraw/zinc/61/96/56/426619656.db2.gz YWMKYRJTMIOSHW-KRWDZBQOSA-N 2 1 304.482 2.860 20 0 DFADMP C[N@@H+](Cc1ccc(Br)s1)C[C@H]1CCC[NH2+]C1 ZINC000226434876 426619746 /nfs/dbraw/zinc/61/97/46/426619746.db2.gz GTWPQUXSRLCKLR-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+](Cc1ccc(Br)s1)C[C@H]1CCC[NH2+]C1 ZINC000226434876 426619749 /nfs/dbraw/zinc/61/97/49/426619749.db2.gz GTWPQUXSRLCKLR-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP C[C@@H]([NH2+]CCOCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562911 426557606 /nfs/dbraw/zinc/55/76/06/426557606.db2.gz UOUSNFBQMNJWLE-APWZRJJASA-N 2 1 302.462 2.913 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH+]3CCCCC3)C2)c1C ZINC000264473822 426560446 /nfs/dbraw/zinc/56/04/46/426560446.db2.gz LXWLHTIXDLXNDX-MRXNPFEDSA-N 2 1 303.450 2.767 20 0 DFADMP CSC1(C[NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000289341370 426631174 /nfs/dbraw/zinc/63/11/74/426631174.db2.gz WDXAFPAYVUPVCU-OAHLLOKOSA-N 2 1 320.502 2.893 20 0 DFADMP CSC1(C[NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CC1 ZINC000289341370 426631180 /nfs/dbraw/zinc/63/11/80/426631180.db2.gz WDXAFPAYVUPVCU-OAHLLOKOSA-N 2 1 320.502 2.893 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC000228474672 426633843 /nfs/dbraw/zinc/63/38/43/426633843.db2.gz JKBFBIHOYAKJKK-MRVWCRGKSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC000228474672 426633846 /nfs/dbraw/zinc/63/38/46/426633846.db2.gz JKBFBIHOYAKJKK-MRVWCRGKSA-N 2 1 303.431 2.962 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000289382459 426642958 /nfs/dbraw/zinc/64/29/58/426642958.db2.gz BRZPBLLTBFBFEW-VNTMZGSJSA-N 2 1 314.473 2.710 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000289382459 426642960 /nfs/dbraw/zinc/64/29/60/426642960.db2.gz BRZPBLLTBFBFEW-VNTMZGSJSA-N 2 1 314.473 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000289382459 426642964 /nfs/dbraw/zinc/64/29/64/426642964.db2.gz BRZPBLLTBFBFEW-VNTMZGSJSA-N 2 1 314.473 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000289382459 426642969 /nfs/dbraw/zinc/64/29/69/426642969.db2.gz BRZPBLLTBFBFEW-VNTMZGSJSA-N 2 1 314.473 2.710 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000289434936 426656879 /nfs/dbraw/zinc/65/68/79/426656879.db2.gz WBWNFJPXQZXJPR-UHFFFAOYSA-N 2 1 320.477 2.623 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000289436409 426656917 /nfs/dbraw/zinc/65/69/17/426656917.db2.gz WDDITAKKEAWPQP-SFHVURJKSA-N 2 1 313.445 2.645 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000265644944 426667575 /nfs/dbraw/zinc/66/75/75/426667575.db2.gz KMWSBNXYXXDVDW-GFCCVEGCSA-N 2 1 317.824 2.919 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@]2(C)CCCC[NH2+]2)c1 ZINC000236664315 426672800 /nfs/dbraw/zinc/67/28/00/426672800.db2.gz UZVTYEKBZHRYNV-LJQANCHMSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccs1 ZINC000178672733 426673252 /nfs/dbraw/zinc/67/32/52/426673252.db2.gz DQNCHDFMMUUFCG-HNNXBMFYSA-N 2 1 323.506 2.589 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000236676791 426675096 /nfs/dbraw/zinc/67/50/96/426675096.db2.gz ZOJAIQOLSMQMDJ-KRWDZBQOSA-N 2 1 317.477 2.532 20 0 DFADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000178701756 426678344 /nfs/dbraw/zinc/67/83/44/426678344.db2.gz CQKSGSZCMNRYOM-QAPCUYQASA-N 2 1 301.434 2.675 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccccc1OCC(=O)OC ZINC000273239506 426624397 /nfs/dbraw/zinc/62/43/97/426624397.db2.gz YLCCDWJEAULDIW-OAHLLOKOSA-N 2 1 322.449 2.621 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159768 426705961 /nfs/dbraw/zinc/70/59/61/426705961.db2.gz XIAJYXIPHPHKTP-HIFRSBDPSA-N 2 1 322.449 2.572 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159768 426705964 /nfs/dbraw/zinc/70/59/64/426705964.db2.gz XIAJYXIPHPHKTP-HIFRSBDPSA-N 2 1 322.449 2.572 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159768 426705969 /nfs/dbraw/zinc/70/59/69/426705969.db2.gz XIAJYXIPHPHKTP-HIFRSBDPSA-N 2 1 322.449 2.572 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@H](C)C1 ZINC000290159768 426705977 /nfs/dbraw/zinc/70/59/77/426705977.db2.gz XIAJYXIPHPHKTP-HIFRSBDPSA-N 2 1 322.449 2.572 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281233509 426707470 /nfs/dbraw/zinc/70/74/70/426707470.db2.gz MNGRQBKDJCTDCZ-QGZVFWFLSA-N 2 1 322.424 2.522 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188068775 426719472 /nfs/dbraw/zinc/71/94/72/426719472.db2.gz OIKQMUQZSFRKSE-IRXDYDNUSA-N 2 1 319.474 2.741 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188068775 426719478 /nfs/dbraw/zinc/71/94/78/426719478.db2.gz OIKQMUQZSFRKSE-IRXDYDNUSA-N 2 1 319.474 2.741 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000188068775 426719482 /nfs/dbraw/zinc/71/94/82/426719482.db2.gz OIKQMUQZSFRKSE-IRXDYDNUSA-N 2 1 319.474 2.741 20 0 DFADMP C[C@@H](CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237442464 426691545 /nfs/dbraw/zinc/69/15/45/426691545.db2.gz AFCQBEKSEJWGIV-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H](CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237442464 426691550 /nfs/dbraw/zinc/69/15/50/426691550.db2.gz AFCQBEKSEJWGIV-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP Cc1ccccc1C1CC[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000290093327 426691706 /nfs/dbraw/zinc/69/17/06/426691706.db2.gz WBPGDNACYCJAHX-SFHVURJKSA-N 2 1 302.462 2.630 20 0 DFADMP Cc1ccccc1C1CC[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC1 ZINC000290093327 426691713 /nfs/dbraw/zinc/69/17/13/426691713.db2.gz WBPGDNACYCJAHX-SFHVURJKSA-N 2 1 302.462 2.630 20 0 DFADMP Cn1cncc1CC[N@@H+](C)CCc1ccc(Br)cc1 ZINC000290108736 426695539 /nfs/dbraw/zinc/69/55/39/426695539.db2.gz SNTCLBHUGTYRNJ-UHFFFAOYSA-N 2 1 322.250 2.900 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cccnc2N)C1 ZINC000290109173 426696136 /nfs/dbraw/zinc/69/61/36/426696136.db2.gz SPIUTZBCCLATHQ-JKSUJKDBSA-N 2 1 302.466 2.750 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245735918 426767834 /nfs/dbraw/zinc/76/78/34/426767834.db2.gz QUJGJYCYXJYEOA-FCGDIQPGSA-N 2 1 302.462 2.789 20 0 DFADMP COc1cc(CNC[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1O ZINC000290461053 426767917 /nfs/dbraw/zinc/76/79/17/426767917.db2.gz UARFOBHOFORMCC-CQSZACIVSA-N 2 1 322.449 2.619 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc(OC)c1O ZINC000290461053 426767923 /nfs/dbraw/zinc/76/79/23/426767923.db2.gz UARFOBHOFORMCC-CQSZACIVSA-N 2 1 322.449 2.619 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cc(OC)c1O ZINC000290461053 426767931 /nfs/dbraw/zinc/76/79/31/426767931.db2.gz UARFOBHOFORMCC-CQSZACIVSA-N 2 1 322.449 2.619 20 0 DFADMP CC[C@@H](CO)[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188667100 426775435 /nfs/dbraw/zinc/77/54/35/426775435.db2.gz JKESBSOVORLJMF-XWSJACJDSA-N 2 1 302.462 2.648 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290512834 426781572 /nfs/dbraw/zinc/78/15/72/426781572.db2.gz PREYIKVNMFDFJY-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290512834 426781575 /nfs/dbraw/zinc/78/15/75/426781575.db2.gz PREYIKVNMFDFJY-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP C[C@H]1OCC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000245952537 426786941 /nfs/dbraw/zinc/78/69/41/426786941.db2.gz PRLRLUXOSZMLPW-LHHMMCJZSA-N 2 1 302.462 2.910 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N(C)C[C@H]1CCC[NH+]1CC)c1ccccc1 ZINC000245435424 426739922 /nfs/dbraw/zinc/73/99/22/426739922.db2.gz SUBDJGVCDHRKDR-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)C[C@H]1CCC[NH+]1CC)c1ccccc1 ZINC000245435424 426739925 /nfs/dbraw/zinc/73/99/25/426739925.db2.gz SUBDJGVCDHRKDR-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000245435424 426739927 /nfs/dbraw/zinc/73/99/27/426739927.db2.gz SUBDJGVCDHRKDR-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000245435424 426739930 /nfs/dbraw/zinc/73/99/30/426739930.db2.gz SUBDJGVCDHRKDR-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328825 426743190 /nfs/dbraw/zinc/74/31/90/426743190.db2.gz DOSLKNHQFWMPRL-MAUKXSAKSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328825 426743193 /nfs/dbraw/zinc/74/31/93/426743193.db2.gz DOSLKNHQFWMPRL-MAUKXSAKSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328825 426743197 /nfs/dbraw/zinc/74/31/97/426743197.db2.gz DOSLKNHQFWMPRL-MAUKXSAKSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328825 426743200 /nfs/dbraw/zinc/74/32/00/426743200.db2.gz DOSLKNHQFWMPRL-MAUKXSAKSA-N 2 1 302.462 2.826 20 0 DFADMP COc1cccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1OC ZINC000290340647 426745829 /nfs/dbraw/zinc/74/58/29/426745829.db2.gz FKPGSFVRAVJYQG-GOEBONIOSA-N 2 1 304.434 2.620 20 0 DFADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000245509936 426746692 /nfs/dbraw/zinc/74/66/92/426746692.db2.gz VJSCLHDXSCPPJC-JFIYKMOQSA-N 2 1 302.462 2.980 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](O)c1cc(F)ccc1F ZINC000266611338 426749960 /nfs/dbraw/zinc/74/99/60/426749960.db2.gz WPOWTERVGHPWKD-PBHICJAKSA-N 2 1 312.404 2.804 20 0 DFADMP Cn1cc(CN[C@H]2c3ccccc3CC[C@H]2n2ccnc2)cn1 ZINC000290542192 426789039 /nfs/dbraw/zinc/78/90/39/426789039.db2.gz RHGAIVCRZXSTDW-MSOLQXFVSA-N 2 1 307.401 2.635 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000179448173 426789146 /nfs/dbraw/zinc/78/91/46/426789146.db2.gz VIQAAYCTPWFXIP-HNNXBMFYSA-N 2 1 307.438 2.778 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1C(=O)OC(C)(C)C ZINC000179448173 426789154 /nfs/dbraw/zinc/78/91/54/426789154.db2.gz VIQAAYCTPWFXIP-HNNXBMFYSA-N 2 1 307.438 2.778 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245569302 426753715 /nfs/dbraw/zinc/75/37/15/426753715.db2.gz AMBRRVRRIJRYSO-NMVRNDPTSA-N 2 1 323.431 2.782 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245569302 426753720 /nfs/dbraw/zinc/75/37/20/426753720.db2.gz AMBRRVRRIJRYSO-NMVRNDPTSA-N 2 1 323.431 2.782 20 0 DFADMP CC(C)CN(C(=O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1)C(C)C ZINC000245582085 426755647 /nfs/dbraw/zinc/75/56/47/426755647.db2.gz JBCUTBWDMYLCAM-IAGOWNOFSA-N 2 1 320.481 2.659 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccco1 ZINC000290406304 426757303 /nfs/dbraw/zinc/75/73/03/426757303.db2.gz TYADVILOVBVFJW-AWEZNQCLSA-N 2 1 303.406 2.856 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CCO2 ZINC000274390864 426758685 /nfs/dbraw/zinc/75/86/85/426758685.db2.gz OKPDPJKLDZWTNO-UWWPHRKUSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CCO2 ZINC000274390864 426758688 /nfs/dbraw/zinc/75/86/88/426758688.db2.gz OKPDPJKLDZWTNO-UWWPHRKUSA-N 2 1 304.434 2.837 20 0 DFADMP Cc1nccn1CCC[N@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000290404302 426758883 /nfs/dbraw/zinc/75/88/83/426758883.db2.gz JPDRPEVSKQYAAJ-UHFFFAOYSA-N 2 1 324.432 2.509 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1-c1ccncc1 ZINC000290404302 426758894 /nfs/dbraw/zinc/75/88/94/426758894.db2.gz JPDRPEVSKQYAAJ-UHFFFAOYSA-N 2 1 324.432 2.509 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188515173 426760006 /nfs/dbraw/zinc/76/00/06/426760006.db2.gz JDRIIXPNAIYKJF-NFAWXSAZSA-N 2 1 321.431 2.579 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)N(C)C ZINC000179166545 426762882 /nfs/dbraw/zinc/76/28/82/426762882.db2.gz SLGHPJDONWUTFF-QZTJIDSGSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000179166545 426762885 /nfs/dbraw/zinc/76/28/85/426762885.db2.gz SLGHPJDONWUTFF-QZTJIDSGSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000179166545 426762890 /nfs/dbraw/zinc/76/28/90/426762890.db2.gz SLGHPJDONWUTFF-QZTJIDSGSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000188902109 426797979 /nfs/dbraw/zinc/79/79/79/426797979.db2.gz OXGFUDFMGQIQAQ-ZAWLATJESA-N 2 1 304.478 2.689 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000179637626 426807804 /nfs/dbraw/zinc/80/78/04/426807804.db2.gz WPLMSIOXVKXGKQ-CYBMUJFWSA-N 2 1 302.340 2.969 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000179637626 426807807 /nfs/dbraw/zinc/80/78/07/426807807.db2.gz WPLMSIOXVKXGKQ-CYBMUJFWSA-N 2 1 302.340 2.969 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189039787 426812829 /nfs/dbraw/zinc/81/28/29/426812829.db2.gz VLKJHRUCGRMXGB-MOPGFXCFSA-N 2 1 304.478 2.956 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000246408166 426830256 /nfs/dbraw/zinc/83/02/56/426830256.db2.gz BISDXHZKNJSAKO-UKRRQHHQSA-N 2 1 320.399 2.904 20 0 DFADMP FC(F)(F)COCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000246408166 426830263 /nfs/dbraw/zinc/83/02/63/426830263.db2.gz BISDXHZKNJSAKO-UKRRQHHQSA-N 2 1 320.399 2.904 20 0 DFADMP FC(F)(F)COCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000246408166 426830266 /nfs/dbraw/zinc/83/02/66/426830266.db2.gz BISDXHZKNJSAKO-UKRRQHHQSA-N 2 1 320.399 2.904 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246460399 426834572 /nfs/dbraw/zinc/83/45/72/426834572.db2.gz YVZJAPUXWUBQST-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246460399 426834574 /nfs/dbraw/zinc/83/45/74/426834574.db2.gz YVZJAPUXWUBQST-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246460399 426834577 /nfs/dbraw/zinc/83/45/77/426834577.db2.gz YVZJAPUXWUBQST-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H](c2cccnc2)C2CCC2)CC1(C)C ZINC000282129027 426836203 /nfs/dbraw/zinc/83/62/03/426836203.db2.gz BHXWRBKZEFRSNA-SFHVURJKSA-N 2 1 316.493 2.538 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000246510712 426841417 /nfs/dbraw/zinc/84/14/17/426841417.db2.gz QNPQXRZLTSXLGX-QZTJIDSGSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000274821698 426843858 /nfs/dbraw/zinc/84/38/58/426843858.db2.gz YJOUACZWPXBUOR-QXCFHYIPSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000274821698 426843863 /nfs/dbraw/zinc/84/38/63/426843863.db2.gz YJOUACZWPXBUOR-QXCFHYIPSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCCO1 ZINC000274836985 426846720 /nfs/dbraw/zinc/84/67/20/426846720.db2.gz NNOPFTOAAJCQEX-SJLPKXTDSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309876670 426918757 /nfs/dbraw/zinc/91/87/57/426918757.db2.gz UILHKKVZRMJCFC-UHOSZYNNSA-N 3 1 301.478 2.629 20 0 DFADMP c1ccc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000267270231 426860896 /nfs/dbraw/zinc/86/08/96/426860896.db2.gz ZJMMNTIRNZLRJF-UHFFFAOYSA-N 2 1 304.397 2.952 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)[nH]c1C ZINC000295213519 426863878 /nfs/dbraw/zinc/86/38/78/426863878.db2.gz ASPSSEXRKXRCNX-UHFFFAOYSA-N 2 1 321.465 2.852 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295209245 426864717 /nfs/dbraw/zinc/86/47/17/426864717.db2.gz ZVMOGAZKDUPORM-LNLFQRSKSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2nccn21 ZINC000295224061 426868298 /nfs/dbraw/zinc/86/82/98/426868298.db2.gz NALJCGOBQPQYHD-WMLDXEAASA-N 2 1 314.433 2.619 20 0 DFADMP Brc1cccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000275565778 426871842 /nfs/dbraw/zinc/87/18/42/426871842.db2.gz OCVUUQKOOZVFRF-ZDUSSCGKSA-N 2 1 320.234 2.998 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC)C2)[C@@H](C)C1 ZINC000246870404 426875464 /nfs/dbraw/zinc/87/54/64/426875464.db2.gz CZBAVRJXOMXGON-ULQDDVLXSA-N 2 1 317.477 2.594 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(-c2ccccc2)n1 ZINC000275602468 426877865 /nfs/dbraw/zinc/87/78/65/426877865.db2.gz QMDMENUUYJHPKY-HNNXBMFYSA-N 2 1 321.428 2.636 20 0 DFADMP C[C@H]1C[C@H](NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000267545899 426882550 /nfs/dbraw/zinc/88/25/50/426882550.db2.gz BLCKTJUHIJCRCQ-QFBILLFUSA-N 2 1 301.478 2.723 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc(C)c1F ZINC000305137064 426885406 /nfs/dbraw/zinc/88/54/06/426885406.db2.gz OUYXZOJQYLOTAG-OAHLLOKOSA-N 2 1 308.441 2.940 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000282347947 426888588 /nfs/dbraw/zinc/88/85/88/426888588.db2.gz PEALERNJXDWSQA-AWEZNQCLSA-N 2 1 323.456 2.511 20 0 DFADMP Cn1ccnc1C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291475484 426890738 /nfs/dbraw/zinc/89/07/38/426890738.db2.gz PWYUJXFRLKYUID-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP Cn1ccnc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291475484 426890743 /nfs/dbraw/zinc/89/07/43/426890743.db2.gz PWYUJXFRLKYUID-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000275710860 426901705 /nfs/dbraw/zinc/90/17/05/426901705.db2.gz MCJIDUCRCRHLJV-QFBILLFUSA-N 2 1 319.468 2.641 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275728451 426905204 /nfs/dbraw/zinc/90/52/04/426905204.db2.gz ZOBZMTAIPTUBNA-MRXNPFEDSA-N 2 1 321.428 2.729 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000316681067 426949781 /nfs/dbraw/zinc/94/97/81/426949781.db2.gz ZAMDQQKWKLLLGW-ZWKOTPCHSA-N 2 1 300.446 2.628 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295462867 426970784 /nfs/dbraw/zinc/97/07/84/426970784.db2.gz QGOYARODBZICAO-CQSZACIVSA-N 2 1 301.434 2.845 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000248048312 426975267 /nfs/dbraw/zinc/97/52/67/426975267.db2.gz VVEHBQKUZZQMJP-DTTOXWODSA-N 2 1 307.457 2.747 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccc1OC(F)F ZINC000291779588 426987053 /nfs/dbraw/zinc/98/70/53/426987053.db2.gz UTOXABHJOHMMGO-LBPRGKRZSA-N 2 1 316.392 2.974 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000268144574 426927004 /nfs/dbraw/zinc/92/70/04/426927004.db2.gz QLTQTCSACDEBNZ-KBPBESRZSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000268144574 426927009 /nfs/dbraw/zinc/92/70/09/426927009.db2.gz QLTQTCSACDEBNZ-KBPBESRZSA-N 2 1 323.506 2.660 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(C)=O)[C@@H](C)C1 ZINC000247327045 426927269 /nfs/dbraw/zinc/92/72/69/426927269.db2.gz YFUNPDKCKHOCAW-MAUKXSAKSA-N 2 1 318.461 2.930 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(C)=O)[C@@H](C)C1 ZINC000247327045 426927276 /nfs/dbraw/zinc/92/72/76/426927276.db2.gz YFUNPDKCKHOCAW-MAUKXSAKSA-N 2 1 318.461 2.930 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(C)=O)[C@@H](C)C1 ZINC000247327045 426927283 /nfs/dbraw/zinc/92/72/83/426927283.db2.gz YFUNPDKCKHOCAW-MAUKXSAKSA-N 2 1 318.461 2.930 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(C)=O)[C@@H](C)C1 ZINC000247327045 426927285 /nfs/dbraw/zinc/92/72/85/426927285.db2.gz YFUNPDKCKHOCAW-MAUKXSAKSA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(SC)cc1OC ZINC000291644947 426936824 /nfs/dbraw/zinc/93/68/24/426936824.db2.gz CBDBHCJBCYTVNT-GFCCVEGCSA-N 2 1 312.479 2.713 20 0 DFADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@H](CC[NH3+])C2)n1 ZINC000315951901 426944109 /nfs/dbraw/zinc/94/41/09/426944109.db2.gz KEIGASCFFYHEPI-CQSZACIVSA-N 2 1 300.406 2.606 20 0 DFADMP COc1cc2c(c(C[NH2+]CCCn3cc[nH+]c3C)c1)O[C@@H](C)C2 ZINC000337952607 427056845 /nfs/dbraw/zinc/05/68/45/427056845.db2.gz YYYPQARYFQDGOX-ZDUSSCGKSA-N 2 1 315.417 2.703 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248404746 426995718 /nfs/dbraw/zinc/99/57/18/426995718.db2.gz QPYJNPYVUKCFQP-IYWMVGAKSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248559916 427011618 /nfs/dbraw/zinc/01/16/18/427011618.db2.gz JDIVAQRXEQGDQL-ULQDDVLXSA-N 2 1 323.525 2.780 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248559916 427011622 /nfs/dbraw/zinc/01/16/22/427011622.db2.gz JDIVAQRXEQGDQL-ULQDDVLXSA-N 2 1 323.525 2.780 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3cccc(F)c3C2)CC1 ZINC000283425138 427013854 /nfs/dbraw/zinc/01/38/54/427013854.db2.gz WPKQOHUVZDQVAG-UHFFFAOYSA-N 2 1 319.468 2.600 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000182183373 427022994 /nfs/dbraw/zinc/02/29/94/427022994.db2.gz GERRCJQCYKRVGB-HZPDHXFCSA-N 2 1 319.449 2.793 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)N1CC[C@H](CNc2ccccn2)C1 ZINC000182183373 427023000 /nfs/dbraw/zinc/02/30/00/427023000.db2.gz GERRCJQCYKRVGB-HZPDHXFCSA-N 2 1 319.449 2.793 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000337900150 427027739 /nfs/dbraw/zinc/02/77/39/427027739.db2.gz PHYZQBRTNAYZSB-AOIWGVFYSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000337900150 427027746 /nfs/dbraw/zinc/02/77/46/427027746.db2.gz PHYZQBRTNAYZSB-AOIWGVFYSA-N 2 1 312.461 2.914 20 0 DFADMP OCCCCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248718694 427033897 /nfs/dbraw/zinc/03/38/97/427033897.db2.gz FTBUCCKLZDTTFZ-REPLKXPHSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000295987294 427038756 /nfs/dbraw/zinc/03/87/56/427038756.db2.gz JYOIPKLOBQOJQO-HNNXBMFYSA-N 2 1 315.461 2.559 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C2([NH3+])CCC2)cc1 ZINC000295987299 427039031 /nfs/dbraw/zinc/03/90/31/427039031.db2.gz JYOIPKLOBQOJQO-OAHLLOKOSA-N 2 1 315.461 2.559 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](CNc2ccccn2)C1 ZINC000268545121 427048135 /nfs/dbraw/zinc/04/81/35/427048135.db2.gz LYQOLZHNHOIXEJ-IAGOWNOFSA-N 2 1 302.466 2.690 20 0 DFADMP CN1CCCC[C@@H]1CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000268545121 427048149 /nfs/dbraw/zinc/04/81/49/427048149.db2.gz LYQOLZHNHOIXEJ-IAGOWNOFSA-N 3 1 302.466 2.690 20 0 DFADMP CN1CCCC[C@@H]1CC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000268545121 427048156 /nfs/dbraw/zinc/04/81/56/427048156.db2.gz LYQOLZHNHOIXEJ-IAGOWNOFSA-N 3 1 302.466 2.690 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)O1 ZINC000296264844 427128563 /nfs/dbraw/zinc/12/85/63/427128563.db2.gz DKXSWEXKVKULTG-JTDSTZFVSA-N 2 1 302.462 2.849 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182424055 427075524 /nfs/dbraw/zinc/07/55/24/427075524.db2.gz UEKCUZNVJXIUKL-RTBURBONSA-N 2 1 304.478 2.644 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000276488628 427081030 /nfs/dbraw/zinc/08/10/30/427081030.db2.gz SCCNYQOZCXRELA-GOSISDBHSA-N 2 1 317.477 2.624 20 0 DFADMP CCOC(=O)c1cc(C[N@H+](C)CCCn2cc[nH+]c2C)[nH]c1C ZINC000296127432 427084602 /nfs/dbraw/zinc/08/46/02/427084602.db2.gz UGDNGDIHVRLBHP-UHFFFAOYSA-N 2 1 318.421 2.527 20 0 DFADMP CCOC(=O)c1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)[nH]c1C ZINC000296127432 427084609 /nfs/dbraw/zinc/08/46/09/427084609.db2.gz UGDNGDIHVRLBHP-UHFFFAOYSA-N 2 1 318.421 2.527 20 0 DFADMP C[C@H](CNC(=O)c1ccc2c[nH+]cn2c1)[N@@H+](C)Cc1ccccc1 ZINC000283855660 427089806 /nfs/dbraw/zinc/08/98/06/427089806.db2.gz GWBYSVLDBJIYGY-OAHLLOKOSA-N 2 1 322.412 2.585 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249137519 427091721 /nfs/dbraw/zinc/09/17/21/427091721.db2.gz YYEWCFHKQHCRAP-PMPSAXMXSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000268701091 427093685 /nfs/dbraw/zinc/09/36/85/427093685.db2.gz FPJVMZIHNPHZHE-ZAWLATJESA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268701091 427093690 /nfs/dbraw/zinc/09/36/90/427093690.db2.gz FPJVMZIHNPHZHE-ZAWLATJESA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268701091 427093695 /nfs/dbraw/zinc/09/36/95/427093695.db2.gz FPJVMZIHNPHZHE-ZAWLATJESA-N 2 1 301.478 2.579 20 0 DFADMP COCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268708070 427097606 /nfs/dbraw/zinc/09/76/06/427097606.db2.gz CMOXYQXWPPUAME-HKUYNNGSSA-N 2 1 320.477 2.540 20 0 DFADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268708070 427097615 /nfs/dbraw/zinc/09/76/15/427097615.db2.gz CMOXYQXWPPUAME-HKUYNNGSSA-N 2 1 320.477 2.540 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)[C@@H](C)C1 ZINC000249204568 427099237 /nfs/dbraw/zinc/09/92/37/427099237.db2.gz VICXKZDIFXXNMO-DZGCQCFKSA-N 2 1 321.431 2.581 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268730470 427106260 /nfs/dbraw/zinc/10/62/60/427106260.db2.gz SRUUXIVRVYZBDP-WEOZKBJRSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268730470 427106267 /nfs/dbraw/zinc/10/62/67/427106267.db2.gz SRUUXIVRVYZBDP-WEOZKBJRSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000268765804 427109827 /nfs/dbraw/zinc/10/98/27/427109827.db2.gz JCQFWHBJUZPDNR-IAOVAPTHSA-N 2 1 313.445 2.849 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000190457352 427114873 /nfs/dbraw/zinc/11/48/73/427114873.db2.gz JBBMLQWKIRGCDO-INIZCTEOSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2cccnc2)C1 ZINC000190457352 427114878 /nfs/dbraw/zinc/11/48/78/427114878.db2.gz JBBMLQWKIRGCDO-INIZCTEOSA-N 2 1 316.474 2.800 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000268786871 427116382 /nfs/dbraw/zinc/11/63/82/427116382.db2.gz BUVIPUZPYZZWOR-ZDUSSCGKSA-N 2 1 316.392 2.907 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccccc1OC(F)F ZINC000268786871 427116387 /nfs/dbraw/zinc/11/63/87/427116387.db2.gz BUVIPUZPYZZWOR-ZDUSSCGKSA-N 2 1 316.392 2.907 20 0 DFADMP C[C@H](C(=O)N(C)CC[NH+](C)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338053798 427116475 /nfs/dbraw/zinc/11/64/75/427116475.db2.gz IXRFJZWXQUEKKT-IXDOHACOSA-N 2 1 323.525 2.971 20 0 DFADMP C[C@H](C(=O)N(C)CC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338053798 427116479 /nfs/dbraw/zinc/11/64/79/427116479.db2.gz IXRFJZWXQUEKKT-IXDOHACOSA-N 2 1 323.525 2.971 20 0 DFADMP C[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338053798 427116484 /nfs/dbraw/zinc/11/64/84/427116484.db2.gz IXRFJZWXQUEKKT-IXDOHACOSA-N 2 1 323.525 2.971 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccc(O)c1 ZINC000249459295 427117127 /nfs/dbraw/zinc/11/71/27/427117127.db2.gz GMAPOJKXGTYANO-ZOCIIQOWSA-N 2 1 318.461 2.811 20 0 DFADMP C[C@@H](Cn1ccnc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268795657 427117831 /nfs/dbraw/zinc/11/78/31/427117831.db2.gz FXQYGSJIIWVFPX-KRWDZBQOSA-N 2 1 312.461 2.568 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+]1C ZINC000268795465 427119176 /nfs/dbraw/zinc/11/91/76/427119176.db2.gz HUCGMDJAFBCCKP-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000268795465 427119185 /nfs/dbraw/zinc/11/91/85/427119185.db2.gz HUCGMDJAFBCCKP-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000268795465 427119190 /nfs/dbraw/zinc/11/91/90/427119190.db2.gz HUCGMDJAFBCCKP-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000268795465 427119194 /nfs/dbraw/zinc/11/91/94/427119194.db2.gz HUCGMDJAFBCCKP-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000268797050 427120009 /nfs/dbraw/zinc/12/00/09/427120009.db2.gz WXSPCBKHZVRBJQ-WBVHZDCISA-N 2 1 302.466 2.644 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)CC[N@H+]1C ZINC000268797050 427120012 /nfs/dbraw/zinc/12/00/12/427120012.db2.gz WXSPCBKHZVRBJQ-WBVHZDCISA-N 2 1 302.466 2.644 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268799295 427123066 /nfs/dbraw/zinc/12/30/66/427123066.db2.gz ANVZWRNZTNPMNQ-OAHLLOKOSA-N 2 1 306.450 2.583 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000296253797 427126925 /nfs/dbraw/zinc/12/69/25/427126925.db2.gz DBMCQMCRAQAGPD-YOEHRIQHSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000296253797 427126931 /nfs/dbraw/zinc/12/69/31/427126931.db2.gz DBMCQMCRAQAGPD-YOEHRIQHSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000268825966 427130907 /nfs/dbraw/zinc/13/09/07/427130907.db2.gz QUXJTZVEAJWVHB-OAHLLOKOSA-N 2 1 309.417 2.787 20 0 DFADMP C[C@H](C(=O)NCC[NH+](C)C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338082810 427132215 /nfs/dbraw/zinc/13/22/15/427132215.db2.gz BPZZEQAHCIYSDO-OWCLPIDISA-N 2 1 309.498 2.628 20 0 DFADMP C[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338082810 427132224 /nfs/dbraw/zinc/13/22/24/427132224.db2.gz BPZZEQAHCIYSDO-OWCLPIDISA-N 2 1 309.498 2.628 20 0 DFADMP C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338082810 427132231 /nfs/dbraw/zinc/13/22/31/427132231.db2.gz BPZZEQAHCIYSDO-OWCLPIDISA-N 2 1 309.498 2.628 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000268872920 427138326 /nfs/dbraw/zinc/13/83/26/427138326.db2.gz HZMVOXWOBZRMMJ-JTDSTZFVSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000268872920 427138331 /nfs/dbraw/zinc/13/83/31/427138331.db2.gz HZMVOXWOBZRMMJ-JTDSTZFVSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(C)(C)CO ZINC000296341382 427153984 /nfs/dbraw/zinc/15/39/84/427153984.db2.gz HWEXIABQDYAONT-WMZOPIPTSA-N 2 1 304.478 2.895 20 0 DFADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000338143707 427157673 /nfs/dbraw/zinc/15/76/73/427157673.db2.gz NRQOPHQZZXRCOA-QXSWTLKVSA-N 2 1 308.853 2.790 20 0 DFADMP COC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000162225362 271083283 /nfs/dbraw/zinc/08/32/83/271083283.db2.gz FRHSULNLAQEHOH-UHFFFAOYSA-N 2 1 302.462 2.852 20 0 DFADMP [NH3+]CC1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCC1 ZINC000165651088 271094613 /nfs/dbraw/zinc/09/46/13/271094613.db2.gz XCRYUMLBCOOFCJ-UHFFFAOYSA-N 2 1 321.509 2.620 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC[N@H+]1C ZINC000230406484 271238814 /nfs/dbraw/zinc/23/88/14/271238814.db2.gz GFEZCKBHLUDBQD-KBPBESRZSA-N 2 1 311.470 2.506 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)CCn1cc[nH+]c1C(C)C ZINC000237124313 271244185 /nfs/dbraw/zinc/24/41/85/271244185.db2.gz LSIYWLLDEGXWMR-UHFFFAOYSA-N 2 1 300.406 2.755 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2occc2C(=O)OC)C1 ZINC000264404268 271273686 /nfs/dbraw/zinc/27/36/86/271273686.db2.gz WKRBWWYKEFEEQL-ZDUSSCGKSA-N 2 1 317.389 2.662 20 0 DFADMP CC(C)(C)CN1CCC[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)C1=O ZINC000329749892 427167265 /nfs/dbraw/zinc/16/72/65/427167265.db2.gz UPRWGVPSAIEMEY-HNNXBMFYSA-N 2 1 318.465 2.626 20 0 DFADMP COc1cccc(C[N@@H+](C)CCCn2ccnc2C)c1OC ZINC000270583150 271313753 /nfs/dbraw/zinc/31/37/53/271313753.db2.gz DAYDGLSQHKNTPM-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP COc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1OC ZINC000270583150 271313758 /nfs/dbraw/zinc/31/37/58/271313758.db2.gz DAYDGLSQHKNTPM-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@H]2C)cc1 ZINC000338174280 427171027 /nfs/dbraw/zinc/17/10/27/427171027.db2.gz DWQUNKVKJFDNDG-JKSUJKDBSA-N 2 1 317.477 2.693 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1O ZINC000277357226 427175190 /nfs/dbraw/zinc/17/51/90/427175190.db2.gz ZKKFQHGGHXSMRG-CQSZACIVSA-N 2 1 318.461 2.938 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@@H]2C)cc1 ZINC000338183120 427177262 /nfs/dbraw/zinc/17/72/62/427177262.db2.gz ACSCFYJUQZPPCB-CRAIPNDOSA-N 2 1 317.477 2.741 20 0 DFADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000284318896 427180285 /nfs/dbraw/zinc/18/02/85/427180285.db2.gz POQDRDGQBQGDQR-OALUTQOASA-N 2 1 301.478 2.897 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2nccn2C)C[N@H+]1Cc1ccccc1 ZINC000338197602 427186071 /nfs/dbraw/zinc/18/60/71/427186071.db2.gz OZBMOKGGPAXBHO-FUHWJXTLSA-N 2 1 312.461 2.810 20 0 DFADMP Cc1cc[nH+]c(NCc2ccccc2C[NH+]2CCC(O)CC2)c1 ZINC000269401748 427188172 /nfs/dbraw/zinc/18/81/72/427188172.db2.gz ZDMGDSIJWLPQCM-UHFFFAOYSA-N 2 1 311.429 2.959 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccnc(OC)n2)c1 ZINC000296512418 427206359 /nfs/dbraw/zinc/20/63/59/427206359.db2.gz RPQMCOGCGDEGDU-UHFFFAOYSA-N 2 1 314.433 2.617 20 0 DFADMP C[C@H](CO)C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132081 427208080 /nfs/dbraw/zinc/20/80/80/427208080.db2.gz GGAVIIJAEMBEMR-WNHJNPCNSA-N 2 1 302.462 2.505 20 0 DFADMP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000183141315 427209883 /nfs/dbraw/zinc/20/98/83/427209883.db2.gz BXRDSAIHPOVZNF-GBESFXJTSA-N 2 1 314.473 2.913 20 0 DFADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277468873 427212532 /nfs/dbraw/zinc/21/25/32/427212532.db2.gz LVNJPVRGPCUFIL-IAGOWNOFSA-N 2 1 320.477 2.804 20 0 DFADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277468873 427212539 /nfs/dbraw/zinc/21/25/39/427212539.db2.gz LVNJPVRGPCUFIL-IAGOWNOFSA-N 2 1 320.477 2.804 20 0 DFADMP FC(F)(F)CCCNc1ncnc2c1cnn2-c1cc[nH+]cc1 ZINC000269836460 427285564 /nfs/dbraw/zinc/28/55/64/427285564.db2.gz KWYPGKYCXHVWEA-UHFFFAOYSA-N 2 1 322.294 2.965 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285608487 427285623 /nfs/dbraw/zinc/28/56/23/427285623.db2.gz VSFAAZHTYUBJKE-SJPCQFCGSA-N 2 1 302.418 2.530 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285608487 427285629 /nfs/dbraw/zinc/28/56/29/427285629.db2.gz VSFAAZHTYUBJKE-SJPCQFCGSA-N 2 1 302.418 2.530 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285608487 427285635 /nfs/dbraw/zinc/28/56/35/427285635.db2.gz VSFAAZHTYUBJKE-SJPCQFCGSA-N 2 1 302.418 2.530 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285608487 427285638 /nfs/dbraw/zinc/28/56/38/427285638.db2.gz VSFAAZHTYUBJKE-SJPCQFCGSA-N 2 1 302.418 2.530 20 0 DFADMP CC1=CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000285423645 427228498 /nfs/dbraw/zinc/22/84/98/427228498.db2.gz YHHVKGYZLBYCRP-MOPGFXCFSA-N 2 1 300.446 2.842 20 0 DFADMP Cn1ccnc1[C@H](NCCC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000183237492 427229335 /nfs/dbraw/zinc/22/93/35/427229335.db2.gz ZADDIOXKBSNRBX-GOSISDBHSA-N 2 1 312.461 2.983 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000293157645 427229344 /nfs/dbraw/zinc/22/93/44/427229344.db2.gz VJINDEUTZZYNNM-SFHVURJKSA-N 2 1 320.452 2.991 20 0 DFADMP CC(C)C[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000338281042 427230828 /nfs/dbraw/zinc/23/08/28/427230828.db2.gz FEYLQWRYUQZZJL-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCCO[C@@H]1CCCCO1 ZINC000338310595 427251920 /nfs/dbraw/zinc/25/19/20/427251920.db2.gz ZNQWRMGWMYYURV-IAGOWNOFSA-N 2 1 307.438 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCCO[C@@H]1CCCCO1 ZINC000338310595 427251926 /nfs/dbraw/zinc/25/19/26/427251926.db2.gz ZNQWRMGWMYYURV-IAGOWNOFSA-N 2 1 307.438 2.589 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccc(F)cc3)CC2)CC1 ZINC000269703112 427256071 /nfs/dbraw/zinc/25/60/71/427256071.db2.gz YXEVNMHGJOVTCO-UHFFFAOYSA-N 2 1 319.468 2.816 20 0 DFADMP C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000338314196 427256826 /nfs/dbraw/zinc/25/68/26/427256826.db2.gz IKUZNTIVMNGUTF-ROUUACIJSA-N 2 1 310.482 2.728 20 0 DFADMP CN1CCN(C(=O)CC[N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000338322248 427259600 /nfs/dbraw/zinc/25/96/00/427259600.db2.gz XJAGWHZOQHCVSD-UHFFFAOYSA-N 2 1 321.509 2.587 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000338322248 427259604 /nfs/dbraw/zinc/25/96/04/427259604.db2.gz XJAGWHZOQHCVSD-UHFFFAOYSA-N 2 1 321.509 2.587 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCCC3(C2)CCCCCC3)CC1 ZINC000338322248 427259611 /nfs/dbraw/zinc/25/96/11/427259611.db2.gz XJAGWHZOQHCVSD-UHFFFAOYSA-N 2 1 321.509 2.587 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccccc1 ZINC000285536048 427263971 /nfs/dbraw/zinc/26/39/71/427263971.db2.gz HQRPXCXZTQCVFD-ZWKOTPCHSA-N 2 1 320.396 2.510 20 0 DFADMP Cc1nnsc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293269399 427267028 /nfs/dbraw/zinc/26/70/28/427267028.db2.gz CGXPYNQOBQRAOJ-GFCCVEGCSA-N 2 1 320.462 2.638 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191169902 427274865 /nfs/dbraw/zinc/27/48/65/427274865.db2.gz NOSMJSTUSDMHAL-AWEZNQCLSA-N 2 1 310.486 2.565 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C(C)(C)C)c1C ZINC000191169902 427274869 /nfs/dbraw/zinc/27/48/69/427274869.db2.gz NOSMJSTUSDMHAL-AWEZNQCLSA-N 2 1 310.486 2.565 20 0 DFADMP CCOc1ccccc1CNCCC[N@H+]1CCCO[C@H](C)C1 ZINC000277903170 427352454 /nfs/dbraw/zinc/35/24/54/427352454.db2.gz PBJQGPCOPRJHTH-MRXNPFEDSA-N 2 1 306.450 2.676 20 0 DFADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@H](O)COc1ccccc1 ZINC000277776631 427315525 /nfs/dbraw/zinc/31/55/25/427315525.db2.gz LWKVYPLUXUHZSW-ROUUACIJSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@H](O)COc1ccccc1 ZINC000277776631 427315529 /nfs/dbraw/zinc/31/55/29/427315529.db2.gz LWKVYPLUXUHZSW-ROUUACIJSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@H](O)COc1ccccc1 ZINC000277776631 427315533 /nfs/dbraw/zinc/31/55/33/427315533.db2.gz LWKVYPLUXUHZSW-ROUUACIJSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000338429304 427316065 /nfs/dbraw/zinc/31/60/65/427316065.db2.gz ZONMVBYZSXCZCF-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)C(C)C)cc1 ZINC000338428362 427316411 /nfs/dbraw/zinc/31/64/11/427316411.db2.gz BESZUONIXFWXRI-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)C(C)C)cc1 ZINC000338428362 427316419 /nfs/dbraw/zinc/31/64/19/427316419.db2.gz BESZUONIXFWXRI-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000338428362 427316424 /nfs/dbraw/zinc/31/64/24/427316424.db2.gz BESZUONIXFWXRI-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000183726689 427328919 /nfs/dbraw/zinc/32/89/19/427328919.db2.gz AUHDLSRBMYQTBF-KGLIPLIRSA-N 2 1 312.255 2.807 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)Cc2ccc(O)cc2)CC1 ZINC000293530450 427353259 /nfs/dbraw/zinc/35/32/59/427353259.db2.gz DWJSCTMMNJBKSL-MRXNPFEDSA-N 2 1 320.477 2.802 20 0 DFADMP COc1ccccc1/C=C/C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277865764 427344216 /nfs/dbraw/zinc/34/42/16/427344216.db2.gz NJCDTIQGVSEODP-HFTQHKIXSA-N 2 1 318.461 2.799 20 0 DFADMP CC[C@@](C)(O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285612293 427290205 /nfs/dbraw/zinc/29/02/05/427290205.db2.gz QECQLIYQQNESFL-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285612293 427290210 /nfs/dbraw/zinc/29/02/10/427290210.db2.gz QECQLIYQQNESFL-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285612293 427290216 /nfs/dbraw/zinc/29/02/16/427290216.db2.gz QECQLIYQQNESFL-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000338545787 427371001 /nfs/dbraw/zinc/37/10/01/427371001.db2.gz HQPKTTUPONTUPP-OAHLLOKOSA-N 2 1 319.449 2.713 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000338545787 427371007 /nfs/dbraw/zinc/37/10/07/427371007.db2.gz HQPKTTUPONTUPP-OAHLLOKOSA-N 2 1 319.449 2.713 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)c3cccnc3)C2)CC1 ZINC000297267709 427378742 /nfs/dbraw/zinc/37/87/42/427378742.db2.gz WNFRJILLOQVXMI-IEBWSBKVSA-N 2 1 317.477 2.559 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)c3cccnc3)C2)CC1 ZINC000297267709 427378747 /nfs/dbraw/zinc/37/87/47/427378747.db2.gz WNFRJILLOQVXMI-IEBWSBKVSA-N 2 1 317.477 2.559 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1)C(C)C ZINC000262918387 427380033 /nfs/dbraw/zinc/38/00/33/427380033.db2.gz ZDPXCCJEOVJRGT-QAPCUYQASA-N 2 1 317.477 2.645 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620161 427383593 /nfs/dbraw/zinc/38/35/93/427383593.db2.gz HACHJLDNUFPUCO-RDTXWAMCSA-N 2 1 316.445 2.998 20 0 DFADMP CS[C@@H]1CCCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191589833 427385215 /nfs/dbraw/zinc/38/52/15/427385215.db2.gz JOMKOVVDWQSJLS-QGZVFWFLSA-N 2 1 313.555 2.620 20 0 DFADMP CCn1nccc1CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338573259 427388705 /nfs/dbraw/zinc/38/87/05/427388705.db2.gz UFBILZKXCUUKSI-CVEARBPZSA-N 2 1 304.482 2.688 20 0 DFADMP CCn1nc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c2ccccc21 ZINC000293633277 427388774 /nfs/dbraw/zinc/38/87/74/427388774.db2.gz LRAKZELESKFDFQ-LJQANCHMSA-N 2 1 312.461 2.974 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338571940 427389098 /nfs/dbraw/zinc/38/90/98/427389098.db2.gz NSAJQMMCEPEJOL-GJZGRUSLSA-N 2 1 310.482 2.818 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293644795 427394503 /nfs/dbraw/zinc/39/45/03/427394503.db2.gz MLUQLPFHSZSFEH-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000293644795 427394509 /nfs/dbraw/zinc/39/45/09/427394509.db2.gz MLUQLPFHSZSFEH-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293644795 427394513 /nfs/dbraw/zinc/39/45/13/427394513.db2.gz MLUQLPFHSZSFEH-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293644795 427394520 /nfs/dbraw/zinc/39/45/20/427394520.db2.gz MLUQLPFHSZSFEH-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCn2cc[nH+]c2C)c(C)c1OC ZINC000286000220 427397386 /nfs/dbraw/zinc/39/73/86/427397386.db2.gz IPNHSIKHXXEDMQ-CYBMUJFWSA-N 2 1 317.433 2.738 20 0 DFADMP FCCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286000174 427398089 /nfs/dbraw/zinc/39/80/89/427398089.db2.gz OURXZROSXJZLSU-LJQANCHMSA-N 2 1 319.468 2.628 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000293720759 427413120 /nfs/dbraw/zinc/41/31/20/427413120.db2.gz NQOPCOMYFMDEJW-IUODEOHRSA-N 2 1 315.383 2.963 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184228424 427419693 /nfs/dbraw/zinc/41/96/93/427419693.db2.gz VLJAMUWNCALMPD-HZPDHXFCSA-N 2 1 309.498 2.522 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000286069115 427414934 /nfs/dbraw/zinc/41/49/34/427414934.db2.gz LTMQZZFMXGQXLU-HNNXBMFYSA-N 2 1 324.432 2.903 20 0 DFADMP CNC(=O)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286069092 427415384 /nfs/dbraw/zinc/41/53/84/427415384.db2.gz LTLYDNCTCLPEKJ-UHFFFAOYSA-N 2 1 317.477 2.545 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000191465154 427357115 /nfs/dbraw/zinc/35/71/15/427357115.db2.gz WWPBITLQYHGECL-HXUWFJFHSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000293823626 427451225 /nfs/dbraw/zinc/45/12/25/427451225.db2.gz PBNXJQTWPGOZLR-UHFFFAOYSA-N 2 1 318.509 2.583 20 0 DFADMP CC(C)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271301149 427488255 /nfs/dbraw/zinc/48/82/55/427488255.db2.gz SIHAQDZVVLAINY-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000338753193 427469085 /nfs/dbraw/zinc/46/90/85/427469085.db2.gz IOUYYUHMDIVJBP-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000293872107 427472335 /nfs/dbraw/zinc/47/23/35/427472335.db2.gz YGCPONLMJIQDKU-WSIUPNEHSA-N 2 1 300.446 2.664 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338780721 427484765 /nfs/dbraw/zinc/48/47/65/427484765.db2.gz AAKOTQJMVYSWCL-DFQSSKMNSA-N 2 1 315.505 2.796 20 0 DFADMP CC[C@@H](C)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286086336 427420596 /nfs/dbraw/zinc/42/05/96/427420596.db2.gz SPDVDIPHJWXIFX-QUCCMNQESA-N 2 1 315.505 2.925 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)cccc3Cl)C2)CC1 ZINC000297669643 427424786 /nfs/dbraw/zinc/42/47/86/427424786.db2.gz ZRSCRQURPHIAKW-INIZCTEOSA-N 2 1 321.896 2.860 20 0 DFADMP Cc1cc(C)cc(-c2ccc(C[NH2+]C[C@H]3C[NH2+]C[C@H]3O)cc2)c1 ZINC000263163816 427426104 /nfs/dbraw/zinc/42/61/04/427426104.db2.gz FAWOPCLUVVHCRS-VQTJNVASSA-N 2 1 310.441 2.640 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000293762865 427428935 /nfs/dbraw/zinc/42/89/35/427428935.db2.gz PDPIDYPFJBRLSN-LPHOPBHVSA-N 2 1 312.461 2.834 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297686802 427430674 /nfs/dbraw/zinc/43/06/74/427430674.db2.gz POLKBODFPJXUEI-CQSZACIVSA-N 2 1 304.434 2.679 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363087 427431013 /nfs/dbraw/zinc/43/10/13/427431013.db2.gz BLWYNIWRVGCSTN-KDOFPFPSSA-N 2 1 306.425 2.904 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)CC1 ZINC000293779294 427433332 /nfs/dbraw/zinc/43/33/32/427433332.db2.gz BRSYYGRUKXRSRM-CYBMUJFWSA-N 2 1 310.388 2.834 20 0 DFADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)CC[C@@H]1CCC[NH+]1C ZINC000286138922 427434714 /nfs/dbraw/zinc/43/47/14/427434714.db2.gz VLNPNQFMTULMAR-INIZCTEOSA-N 2 1 314.433 2.695 20 0 DFADMP C[N@H+](CCc1nc(-c2ccccc2)no1)CC[C@@H]1CCC[NH+]1C ZINC000286138922 427434718 /nfs/dbraw/zinc/43/47/18/427434718.db2.gz VLNPNQFMTULMAR-INIZCTEOSA-N 2 1 314.433 2.695 20 0 DFADMP C[NH+](CCc1nc(-c2ccccc2)no1)CC[C@@H]1CCC[N@@H+]1C ZINC000286138922 427434724 /nfs/dbraw/zinc/43/47/24/427434724.db2.gz VLNPNQFMTULMAR-INIZCTEOSA-N 2 1 314.433 2.695 20 0 DFADMP C[NH+](CCc1nc(-c2ccccc2)no1)CC[C@@H]1CCC[N@H+]1C ZINC000286138922 427434726 /nfs/dbraw/zinc/43/47/26/427434726.db2.gz VLNPNQFMTULMAR-INIZCTEOSA-N 2 1 314.433 2.695 20 0 DFADMP CC(C)[NH2+]C1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271365957 427510308 /nfs/dbraw/zinc/51/03/08/427510308.db2.gz OHZCSYLRWUCKHI-LJQANCHMSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000298195984 427530314 /nfs/dbraw/zinc/53/03/14/427530314.db2.gz CRAVJRLNVGLDCK-WFASDCNBSA-N 2 1 316.367 2.813 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000286442472 427532127 /nfs/dbraw/zinc/53/21/27/427532127.db2.gz JKPYAVZBPXYRHR-SJLPKXTDSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000286442472 427532133 /nfs/dbraw/zinc/53/21/33/427532133.db2.gz JKPYAVZBPXYRHR-SJLPKXTDSA-N 2 1 312.461 2.729 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000271449295 427540669 /nfs/dbraw/zinc/54/06/69/427540669.db2.gz DHALJMZNHCPHHV-UYHISHBKSA-N 2 1 324.415 2.993 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271458280 427547032 /nfs/dbraw/zinc/54/70/32/427547032.db2.gz YIWRVEGEHRQQGK-IAGOWNOFSA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271458280 427547037 /nfs/dbraw/zinc/54/70/37/427547037.db2.gz YIWRVEGEHRQQGK-IAGOWNOFSA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271458280 427547039 /nfs/dbraw/zinc/54/70/39/427547039.db2.gz YIWRVEGEHRQQGK-IAGOWNOFSA-N 2 1 312.461 2.985 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C[C@@H](O)C(F)(F)F ZINC000192146133 427489366 /nfs/dbraw/zinc/48/93/66/427489366.db2.gz UJBPNMPRKZXWRE-CQSZACIVSA-N 2 1 313.323 2.536 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1CN(C)C[C@@H](O)C(F)(F)F ZINC000192146133 427489370 /nfs/dbraw/zinc/48/93/70/427489370.db2.gz UJBPNMPRKZXWRE-CQSZACIVSA-N 2 1 313.323 2.536 20 0 DFADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000192801711 427613604 /nfs/dbraw/zinc/61/36/04/427613604.db2.gz FOCMSYFSWDEGML-UONOGXRCSA-N 2 1 317.408 2.574 20 0 DFADMP C[C@@H]1[C@H]([NH2+]C2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC000294314323 427621001 /nfs/dbraw/zinc/62/10/01/427621001.db2.gz WCQDRHXTOKVQAB-OXQOHEQNSA-N 2 1 313.489 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(F)cc2)C[C@@H]1C ZINC000339009701 427622434 /nfs/dbraw/zinc/62/24/34/427622434.db2.gz GKXCITQSJHMAEP-WBAXXEDZSA-N 2 1 308.441 2.534 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000271493853 427559747 /nfs/dbraw/zinc/55/97/47/427559747.db2.gz KVLCHBYHUAUBTQ-RZAIGCCYSA-N 2 1 324.415 2.993 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H](O)c2c(F)cccc2Cl)CC[N@H+]1C ZINC000271511695 427565413 /nfs/dbraw/zinc/56/54/13/427565413.db2.gz OVQXRVPASNMRJA-JTNHKYCSSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)CCN1C ZINC000271511695 427565419 /nfs/dbraw/zinc/56/54/19/427565419.db2.gz OVQXRVPASNMRJA-JTNHKYCSSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000271511695 427565425 /nfs/dbraw/zinc/56/54/25/427565425.db2.gz OVQXRVPASNMRJA-JTNHKYCSSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)CC[N@H+]1C ZINC000271511695 427565430 /nfs/dbraw/zinc/56/54/30/427565430.db2.gz OVQXRVPASNMRJA-JTNHKYCSSA-N 2 1 300.805 2.585 20 0 DFADMP CCCC[N@H+](C)CC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000263813520 427579141 /nfs/dbraw/zinc/57/91/41/427579141.db2.gz VFJMQETZHRKHOH-UHFFFAOYSA-N 2 1 301.438 2.906 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(c2[nH+]cnc3[nH]ccc32)CC1 ZINC000263813520 427579145 /nfs/dbraw/zinc/57/91/45/427579145.db2.gz VFJMQETZHRKHOH-UHFFFAOYSA-N 2 1 301.438 2.906 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC1 ZINC000332317914 427579173 /nfs/dbraw/zinc/57/91/73/427579173.db2.gz QRZCYWBMKSFWGO-MRXNPFEDSA-N 2 1 303.450 2.945 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000287408627 427602602 /nfs/dbraw/zinc/60/26/02/427602602.db2.gz RIHLFEMZNWGQSG-GSEOLPGOSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000287408627 427602609 /nfs/dbraw/zinc/60/26/09/427602609.db2.gz RIHLFEMZNWGQSG-GSEOLPGOSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000287408627 427602617 /nfs/dbraw/zinc/60/26/17/427602617.db2.gz RIHLFEMZNWGQSG-GSEOLPGOSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000287408627 427602626 /nfs/dbraw/zinc/60/26/26/427602626.db2.gz RIHLFEMZNWGQSG-GSEOLPGOSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000192751612 427602985 /nfs/dbraw/zinc/60/29/85/427602985.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 2 1 313.489 2.648 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCc2ccccc2C1 ZINC000192751612 427602991 /nfs/dbraw/zinc/60/29/91/427602991.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 2 1 313.489 2.648 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCc2ccccc2C1 ZINC000192751612 427602995 /nfs/dbraw/zinc/60/29/95/427602995.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 2 1 313.489 2.648 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCc2ccccc2C1 ZINC000192751612 427602998 /nfs/dbraw/zinc/60/29/98/427602998.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 2 1 313.489 2.648 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCc2ccccc2C1 ZINC000192751612 427603003 /nfs/dbraw/zinc/60/30/03/427603003.db2.gz KKXWKHYKICRKMR-FAXKSRBJSA-N 2 1 313.489 2.648 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000185314072 427629693 /nfs/dbraw/zinc/62/96/93/427629693.db2.gz HVLOJKKSLFBSEQ-XYPHTWIQSA-N 2 1 310.869 2.867 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566185 427641115 /nfs/dbraw/zinc/64/11/15/427641115.db2.gz BLMBBTRRWCEOAC-QGTPRVQTSA-N 2 1 324.896 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566185 427641123 /nfs/dbraw/zinc/64/11/23/427641123.db2.gz BLMBBTRRWCEOAC-QGTPRVQTSA-N 2 1 324.896 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566185 427641127 /nfs/dbraw/zinc/64/11/27/427641127.db2.gz BLMBBTRRWCEOAC-QGTPRVQTSA-N 2 1 324.896 2.906 20 0 DFADMP COCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000339042872 427642623 /nfs/dbraw/zinc/64/26/23/427642623.db2.gz CEPPVBZOWPIELR-CEXWTWQISA-N 2 1 318.461 2.517 20 0 DFADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000185414207 427649475 /nfs/dbraw/zinc/64/94/75/427649475.db2.gz DTVWTWFRRAAVNC-MSOLQXFVSA-N 2 1 305.466 2.749 20 0 DFADMP CC(C)[C@H](C[NH2+]C1CCN(c2cc[nH+]cc2)CC1)[NH+]1CCCC1 ZINC000298558832 427649976 /nfs/dbraw/zinc/64/99/76/427649976.db2.gz VRCBKFDJLVLOLJ-IBGZPJMESA-N 3 1 316.493 2.760 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000185424247 427652093 /nfs/dbraw/zinc/65/20/93/427652093.db2.gz BRMKEDDFMMICGS-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000185424230 427652222 /nfs/dbraw/zinc/65/22/22/427652222.db2.gz BRMKEDDFMMICGS-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP COc1cc(C)nc(CN2CC[N@@H+](C)C[C@@H]2c2ccccc2)c1 ZINC000272167933 427656635 /nfs/dbraw/zinc/65/66/35/427656635.db2.gz VPLJCYRBDRRPGZ-LJQANCHMSA-N 2 1 311.429 2.887 20 0 DFADMP COc1cc(C)nc(CN2CCN(C)C[C@@H]2c2ccccc2)c1 ZINC000272167933 427656640 /nfs/dbraw/zinc/65/66/40/427656640.db2.gz VPLJCYRBDRRPGZ-LJQANCHMSA-N 2 1 311.429 2.887 20 0 DFADMP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065915 427658748 /nfs/dbraw/zinc/65/87/48/427658748.db2.gz DSORNKDAJMCRQE-PKOBYXMFSA-N 2 1 310.445 2.631 20 0 DFADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000339068044 427658838 /nfs/dbraw/zinc/65/88/38/427658838.db2.gz JLUJRBNEGDCODF-OWCLPIDISA-N 2 1 316.493 2.712 20 0 DFADMP c1cnn(Cc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000339072131 427661203 /nfs/dbraw/zinc/66/12/03/427661203.db2.gz TXGROKIMTFVVCJ-MOPGFXCFSA-N 2 1 310.445 2.648 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279406112 427664038 /nfs/dbraw/zinc/66/40/38/427664038.db2.gz DJAGEZWRQGTBMM-MRXNPFEDSA-N 2 1 314.832 2.977 20 0 DFADMP CC[C@@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[NH+]1CCCC1 ZINC000287658159 427664516 /nfs/dbraw/zinc/66/45/16/427664516.db2.gz LPBTWUHJMVOWPA-RDJZCZTQSA-N 2 1 313.449 2.792 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343109691 272088385 /nfs/dbraw/zinc/08/83/85/272088385.db2.gz QEOROELTEGBRDF-KRWDZBQOSA-N 2 1 308.853 2.764 20 0 DFADMP CCc1cc(N(C)C[C@H]2C[C@@H](OC)C[N@H+]2C)c2ccccc2[nH+]1 ZINC000343299289 272115046 /nfs/dbraw/zinc/11/50/46/272115046.db2.gz BDZGILDLYMDDOK-HZPDHXFCSA-N 2 1 313.445 2.953 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)[C@H](C)C1 ZINC000185538641 427668212 /nfs/dbraw/zinc/66/82/12/427668212.db2.gz WVCAZWWPCBBKOD-RDTXWAMCSA-N 2 1 324.440 2.758 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(O)cc(F)c2)[C@H](C)C1 ZINC000185538641 427668217 /nfs/dbraw/zinc/66/82/17/427668217.db2.gz WVCAZWWPCBBKOD-RDTXWAMCSA-N 2 1 324.440 2.758 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000279452348 427677250 /nfs/dbraw/zinc/67/72/50/427677250.db2.gz IHNPHLRIZBKAAO-UVBJJODRSA-N 2 1 314.832 2.832 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343529822 272165243 /nfs/dbraw/zinc/16/52/43/272165243.db2.gz CMJDMQKDOQAELK-HNNXBMFYSA-N 2 1 323.506 2.953 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343529822 272165246 /nfs/dbraw/zinc/16/52/46/272165246.db2.gz CMJDMQKDOQAELK-HNNXBMFYSA-N 2 1 323.506 2.953 20 0 DFADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[N@H+](CC)C[C@H]2C)c1 ZINC000343557943 272169528 /nfs/dbraw/zinc/16/95/28/272169528.db2.gz GOESZZDYEPTGDX-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[N@@H+](CC)C[C@H]2C)c1 ZINC000343557943 272169529 /nfs/dbraw/zinc/16/95/29/272169529.db2.gz GOESZZDYEPTGDX-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP Cn1c2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc2sc1=O ZINC000343626988 272187560 /nfs/dbraw/zinc/18/75/60/272187560.db2.gz UMMXMPDANDAUQG-UHFFFAOYSA-N 2 1 319.474 2.518 20 0 DFADMP Cn1c2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc2sc1=O ZINC000343626988 272187561 /nfs/dbraw/zinc/18/75/61/272187561.db2.gz UMMXMPDANDAUQG-UHFFFAOYSA-N 2 1 319.474 2.518 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000279452345 427676192 /nfs/dbraw/zinc/67/61/92/427676192.db2.gz IHNPHLRIZBKAAO-RLCCDNCMSA-N 2 1 314.832 2.832 20 0 DFADMP CC(C)(C)[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343937903 272240513 /nfs/dbraw/zinc/24/05/13/272240513.db2.gz KZQLWOVJTRKNCO-AZUAARDMSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343937903 272240515 /nfs/dbraw/zinc/24/05/15/272240515.db2.gz KZQLWOVJTRKNCO-AZUAARDMSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343937903 272240517 /nfs/dbraw/zinc/24/05/17/272240517.db2.gz KZQLWOVJTRKNCO-AZUAARDMSA-N 2 1 316.489 2.991 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)o1 ZINC000343941412 272240934 /nfs/dbraw/zinc/24/09/34/272240934.db2.gz SZVHTZHWQUJPQC-AWEZNQCLSA-N 2 1 303.406 2.774 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000279471946 427681013 /nfs/dbraw/zinc/68/10/13/427681013.db2.gz JZYHSFZTHMKZGH-VCTAVGKDSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000279471946 427681018 /nfs/dbraw/zinc/68/10/18/427681018.db2.gz JZYHSFZTHMKZGH-VCTAVGKDSA-N 2 1 300.805 2.585 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCCCC2 ZINC000344029248 272251664 /nfs/dbraw/zinc/25/16/64/272251664.db2.gz BQGQAEASCSICDR-IAGOWNOFSA-N 2 1 312.498 2.672 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000298706181 427681389 /nfs/dbraw/zinc/68/13/89/427681389.db2.gz REUYNPWTHACZBC-CYBMUJFWSA-N 2 1 318.396 2.728 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)[C@H](C)C1 ZINC000279452350 427677599 /nfs/dbraw/zinc/67/75/99/427677599.db2.gz IHNPHLRIZBKAAO-XFBWCDHKSA-N 2 1 314.832 2.832 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000344119518 272267586 /nfs/dbraw/zinc/26/75/86/272267586.db2.gz PDVMTMPZIWHRSK-CQSZACIVSA-N 3 1 324.432 2.507 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)[C@@H]3CCCOC3)sc2C1 ZINC000344350326 272318449 /nfs/dbraw/zinc/31/84/49/272318449.db2.gz ICTBADOFGKQQRS-UONOGXRCSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)[C@@H]3CCCOC3)sc2C1 ZINC000344350326 272318451 /nfs/dbraw/zinc/31/84/51/272318451.db2.gz ICTBADOFGKQQRS-UONOGXRCSA-N 2 1 323.506 2.814 20 0 DFADMP CO[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000295080253 427684077 /nfs/dbraw/zinc/68/40/77/427684077.db2.gz TVJUXUXQNPAFJH-ZYSHUDEJSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344519456 272332621 /nfs/dbraw/zinc/33/26/21/272332621.db2.gz FKUKHRUFEZXQFC-FQEVSTJZSA-N 2 1 310.441 2.722 20 0 DFADMP Cc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344519456 272332623 /nfs/dbraw/zinc/33/26/23/272332623.db2.gz FKUKHRUFEZXQFC-FQEVSTJZSA-N 2 1 310.441 2.722 20 0 DFADMP C[C@@H]1C[C@H](NCc2cnn(-c3ccc(F)cc3)c2)CC[N@H+]1C ZINC000344677040 272355251 /nfs/dbraw/zinc/35/52/51/272355251.db2.gz KMBLUURRUDGHOU-CZUORRHYSA-N 2 1 302.397 2.584 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCN1C ZINC000344677040 272355253 /nfs/dbraw/zinc/35/52/53/272355253.db2.gz KMBLUURRUDGHOU-CZUORRHYSA-N 2 1 302.397 2.584 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC000344679398 272355868 /nfs/dbraw/zinc/35/58/68/272355868.db2.gz YNUCYODYBYVILH-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832621 272375769 /nfs/dbraw/zinc/37/57/69/272375769.db2.gz PBULRGKNMKFJFO-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832621 272375771 /nfs/dbraw/zinc/37/57/71/272375771.db2.gz PBULRGKNMKFJFO-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832621 272375774 /nfs/dbraw/zinc/37/57/74/272375774.db2.gz PBULRGKNMKFJFO-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000279838857 427721918 /nfs/dbraw/zinc/72/19/18/427721918.db2.gz HLLFSHOWMOPRSJ-UHFFFAOYSA-N 2 1 304.413 2.689 20 0 DFADMP COCC[N@@H+](C)CCCNc1c(C)cnc2c(OC)cccc21 ZINC000344900740 272383824 /nfs/dbraw/zinc/38/38/24/272383824.db2.gz XVAIRZWCJDQFEC-UHFFFAOYSA-N 2 1 317.433 2.932 20 0 DFADMP COCC[N@H+](C)CCCNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000344900740 272383826 /nfs/dbraw/zinc/38/38/26/272383826.db2.gz XVAIRZWCJDQFEC-UHFFFAOYSA-N 2 1 317.433 2.932 20 0 DFADMP COCC[N@@H+](C)CCCNc1c(C)c[nH+]c2c(OC)cccc12 ZINC000344900740 272383830 /nfs/dbraw/zinc/38/38/30/272383830.db2.gz XVAIRZWCJDQFEC-UHFFFAOYSA-N 2 1 317.433 2.932 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678156 427688682 /nfs/dbraw/zinc/68/86/82/427688682.db2.gz XZELOUXRFLMRIM-WDYCEAGBSA-N 2 1 302.462 2.963 20 0 DFADMP COc1ccncc1CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000287777760 427689921 /nfs/dbraw/zinc/68/99/21/427689921.db2.gz NHEDNYJUERBHKW-YOEHRIQHSA-N 2 1 301.434 2.539 20 0 DFADMP C[C@@H]([NH2+]C1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272270106 427690290 /nfs/dbraw/zinc/69/02/90/427690290.db2.gz BCZCWBDVRREMFY-SJLPKXTDSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272270106 427690295 /nfs/dbraw/zinc/69/02/95/427690295.db2.gz BCZCWBDVRREMFY-SJLPKXTDSA-N 3 1 301.478 2.581 20 0 DFADMP C[C@@H](NC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272270106 427690298 /nfs/dbraw/zinc/69/02/98/427690298.db2.gz BCZCWBDVRREMFY-SJLPKXTDSA-N 3 1 301.478 2.581 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287779948 427691057 /nfs/dbraw/zinc/69/10/57/427691057.db2.gz NJQUJGVHOHGKDZ-WMZOPIPTSA-N 2 1 324.896 2.907 20 0 DFADMP C[C@@H](CCO)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272283091 427696645 /nfs/dbraw/zinc/69/66/45/427696645.db2.gz AMLOFAQGUZGXGR-DSLXNQLJSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@@H+]1C[C@H]2CN(Cc3ncc(-c4ccc(Cl)cc4)o3)C[C@H]2C1 ZINC000193630617 427702023 /nfs/dbraw/zinc/70/20/23/427702023.db2.gz ADQQQDDYAMQQQD-OKILXGFUSA-N 2 1 317.820 2.988 20 0 DFADMP C[N@@H+]1C[C@H]2CN(CCOc3ccc(C(F)(F)F)cc3)C[C@H]2C1 ZINC000193639985 427704030 /nfs/dbraw/zinc/70/40/30/427704030.db2.gz HSWRHKUMVOHJPF-BETUJISGSA-N 2 1 314.351 2.578 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000193639985 427704042 /nfs/dbraw/zinc/70/40/42/427704042.db2.gz HSWRHKUMVOHJPF-BETUJISGSA-N 2 1 314.351 2.578 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]2C1 ZINC000193639985 427704046 /nfs/dbraw/zinc/70/40/46/427704046.db2.gz HSWRHKUMVOHJPF-BETUJISGSA-N 2 1 314.351 2.578 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@@H](C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193657283 427705621 /nfs/dbraw/zinc/70/56/21/427705621.db2.gz NTTCAYBIEWPMHW-OAGGEKHMSA-N 2 1 315.461 2.630 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000336864992 427765926 /nfs/dbraw/zinc/76/59/26/427765926.db2.gz HPVWPYDCPFMNKH-RDJZCZTQSA-N 2 1 309.498 2.665 20 0 DFADMP c1ccc(CCCO[C@@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427853 427773066 /nfs/dbraw/zinc/77/30/66/427773066.db2.gz DZNIPFUCSRVSBP-RTBURBONSA-N 2 1 302.462 2.710 20 0 DFADMP CC[NH+](CC)Cc1ccc(CNc2[nH+]cnc3[nH]ccc32)cc1 ZINC000339235418 427737324 /nfs/dbraw/zinc/73/73/24/427737324.db2.gz LIEXATYPBOKPTN-UHFFFAOYSA-N 2 1 309.417 3.412 20 0 DFADMP C[C@H](O)CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336655973 427745795 /nfs/dbraw/zinc/74/57/95/427745795.db2.gz JULWYXTVBCCOPO-QXAKKESOSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](O)CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336655973 427745797 /nfs/dbraw/zinc/74/57/97/427745797.db2.gz JULWYXTVBCCOPO-QXAKKESOSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](O)CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000336655973 427745801 /nfs/dbraw/zinc/74/58/01/427745801.db2.gz JULWYXTVBCCOPO-QXAKKESOSA-N 2 1 302.462 2.601 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000336713552 427748969 /nfs/dbraw/zinc/74/89/69/427748969.db2.gz NCESFFQVACBYLY-ZCNNSNEGSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000336713552 427748973 /nfs/dbraw/zinc/74/89/73/427748973.db2.gz NCESFFQVACBYLY-ZCNNSNEGSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCOC4)C[C@@H]3C2)cc1 ZINC000336713552 427748977 /nfs/dbraw/zinc/74/89/77/427748977.db2.gz NCESFFQVACBYLY-ZCNNSNEGSA-N 2 1 314.473 2.867 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000339278727 427749696 /nfs/dbraw/zinc/74/96/96/427749696.db2.gz BANAIIYTKBMDHS-QAETUUGQSA-N 2 1 310.482 2.961 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000339278727 427749699 /nfs/dbraw/zinc/74/96/99/427749699.db2.gz BANAIIYTKBMDHS-QAETUUGQSA-N 2 1 310.482 2.961 20 0 DFADMP CCc1cc(NCC2(N3CCOCC3)CCCCC2)nc(C)n1 ZINC000301351996 427790623 /nfs/dbraw/zinc/79/06/23/427790623.db2.gz MYRUZBNZQOEWPC-UHFFFAOYSA-N 2 1 318.465 2.794 20 0 DFADMP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000337348808 427857408 /nfs/dbraw/zinc/85/74/08/427857408.db2.gz ZKPSHOLXYZELME-SJORKVTESA-N 2 1 320.477 2.810 20 0 DFADMP CC(C)OC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000337348808 427857411 /nfs/dbraw/zinc/85/74/11/427857411.db2.gz ZKPSHOLXYZELME-SJORKVTESA-N 2 1 320.477 2.810 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339694436 427813101 /nfs/dbraw/zinc/81/31/01/427813101.db2.gz KGBBLDNREVAESQ-BBWFWOEESA-N 2 1 323.525 2.734 20 0 DFADMP CN(C)c1cc[nH+]c(NC2CC[NH+](CC3CCCCC3)CC2)n1 ZINC000301723622 427819443 /nfs/dbraw/zinc/81/94/43/427819443.db2.gz LBZDCDHDKYHQLY-UHFFFAOYSA-N 2 1 317.481 2.999 20 0 DFADMP COCC[NH+]1[C@H](C)CN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1C ZINC000301778655 427823331 /nfs/dbraw/zinc/82/33/31/427823331.db2.gz QENIEUSXRTVSTA-ZIAGYGMSSA-N 2 1 317.408 2.919 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]2c2ccccc2)CC1 ZINC000337250109 427824105 /nfs/dbraw/zinc/82/41/05/427824105.db2.gz MHCRTTZAOPMLKE-IBGZPJMESA-N 2 1 301.478 2.850 20 0 DFADMP CCC[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000337288017 427831855 /nfs/dbraw/zinc/83/18/55/427831855.db2.gz AMFWCOJNUNIKJH-GVDBMIGSSA-N 2 1 312.498 2.765 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000355622039 427833418 /nfs/dbraw/zinc/83/34/18/427833418.db2.gz ACZYJJPAONZROD-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCC2)C[C@H]1c1ccccc1 ZINC000340377194 427834251 /nfs/dbraw/zinc/83/42/51/427834251.db2.gz SSPINYJUSZDFEZ-FHWLQOOXSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCC2)C[C@H]1c1ccccc1 ZINC000340377194 427834254 /nfs/dbraw/zinc/83/42/54/427834254.db2.gz SSPINYJUSZDFEZ-FHWLQOOXSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCC2)C[C@H]1c1ccccc1 ZINC000340377206 427834866 /nfs/dbraw/zinc/83/48/66/427834866.db2.gz SSPINYJUSZDFEZ-OTWHNJEPSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCC2)C[C@H]1c1ccccc1 ZINC000340377206 427834870 /nfs/dbraw/zinc/83/48/70/427834870.db2.gz SSPINYJUSZDFEZ-OTWHNJEPSA-N 2 1 302.462 2.963 20 0 DFADMP CC(C)OC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337325030 427847184 /nfs/dbraw/zinc/84/71/84/427847184.db2.gz BQRCQGFCGWACOQ-PKOBYXMFSA-N 2 1 304.478 2.954 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349725560 427851782 /nfs/dbraw/zinc/85/17/82/427851782.db2.gz XMFVRFMWNDAYFY-ZSGPHXLJSA-N 2 1 306.425 2.976 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349725560 427851787 /nfs/dbraw/zinc/85/17/87/427851787.db2.gz XMFVRFMWNDAYFY-ZSGPHXLJSA-N 2 1 306.425 2.976 20 0 DFADMP CC(C)[C@@H](Cn1cccn1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340472560 427856125 /nfs/dbraw/zinc/85/61/25/427856125.db2.gz DMHYPZSNXPKASF-FGTMMUONSA-N 2 1 306.498 2.865 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340504879 427868642 /nfs/dbraw/zinc/86/86/42/427868642.db2.gz QWMCMELFOKVSDM-IEBWSBKVSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340504879 427868647 /nfs/dbraw/zinc/86/86/47/427868647.db2.gz QWMCMELFOKVSDM-IEBWSBKVSA-N 2 1 310.445 2.753 20 0 DFADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000340527110 427871373 /nfs/dbraw/zinc/87/13/73/427871373.db2.gz BWFLLXZNJIZGSK-KRWDZBQOSA-N 2 1 323.525 2.687 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000302868857 427884355 /nfs/dbraw/zinc/88/43/55/427884355.db2.gz QICDRMIQKABHAS-XUVXKRRUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000302868857 427884359 /nfs/dbraw/zinc/88/43/59/427884359.db2.gz QICDRMIQKABHAS-XUVXKRRUSA-N 2 1 313.489 2.867 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCOCC(C)C)C1)CCCC2 ZINC000337401119 427887121 /nfs/dbraw/zinc/88/71/21/427887121.db2.gz HLUPWJOTIJHTIV-MRXNPFEDSA-N 2 1 305.466 2.990 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCOCC(C)C)C1)CCCC2 ZINC000337401119 427887125 /nfs/dbraw/zinc/88/71/25/427887125.db2.gz HLUPWJOTIJHTIV-MRXNPFEDSA-N 2 1 305.466 2.990 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC23CCC3)c1 ZINC000337405532 427890009 /nfs/dbraw/zinc/89/00/09/427890009.db2.gz SARAGWIZOQTCMN-SFHVURJKSA-N 2 1 300.446 2.941 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCC12CCC2 ZINC000337404366 427890539 /nfs/dbraw/zinc/89/05/39/427890539.db2.gz RMKGIDODHWJQIA-SFHVURJKSA-N 2 1 300.446 2.941 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)nn1C ZINC000337410410 427892797 /nfs/dbraw/zinc/89/27/97/427892797.db2.gz VOTKRCRTCOAMMS-HNNXBMFYSA-N 2 1 313.449 2.752 20 0 DFADMP CCC[C@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337413351 427894257 /nfs/dbraw/zinc/89/42/57/427894257.db2.gz MNYHAYVYCOEHOS-KKUMJFAQSA-N 2 1 323.460 2.580 20 0 DFADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337413351 427894261 /nfs/dbraw/zinc/89/42/61/427894261.db2.gz MNYHAYVYCOEHOS-KKUMJFAQSA-N 2 1 323.460 2.580 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000345775764 427902293 /nfs/dbraw/zinc/90/22/93/427902293.db2.gz JENALPSPENXELU-MHORFTMASA-N 2 1 323.525 2.734 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N1CCC(CCC[NH+](C)C)CC1 ZINC000359550332 427905183 /nfs/dbraw/zinc/90/51/83/427905183.db2.gz GSAAKSDTBLNFHK-UHFFFAOYSA-N 2 1 319.449 2.817 20 0 DFADMP CC1CCN(C(=[NH2+])NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000304126359 427916407 /nfs/dbraw/zinc/91/64/07/427916407.db2.gz OPCYXTROHVAMSX-GOSISDBHSA-N 2 1 314.477 2.907 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CCC34CCC4)CC2)nc(C)[nH+]1 ZINC000337466703 427921283 /nfs/dbraw/zinc/92/12/83/427921283.db2.gz MBMVJSYGOMTUOB-INIZCTEOSA-N 2 1 300.450 2.985 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000345823304 427921677 /nfs/dbraw/zinc/92/16/77/427921677.db2.gz VFFPZMCHLBEOHP-JFIYKMOQSA-N 2 1 309.498 2.522 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)[C@H]1Oc1ccccc1 ZINC000359665229 427962993 /nfs/dbraw/zinc/96/29/93/427962993.db2.gz SBBSLMKOZMEBGW-GUDVDZBRSA-N 2 1 320.477 2.931 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1Oc1ccccc1 ZINC000359665229 427962999 /nfs/dbraw/zinc/96/29/99/427962999.db2.gz SBBSLMKOZMEBGW-GUDVDZBRSA-N 2 1 320.477 2.931 20 0 DFADMP CC[N@@H+](CC(=O)N(CC[NH+]1CCCCCC1)C(C)C)C1CC1 ZINC000346000044 427981688 /nfs/dbraw/zinc/98/16/88/427981688.db2.gz NETQMZAMOGOPFX-UHFFFAOYSA-N 2 1 309.498 2.584 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000337487418 427928882 /nfs/dbraw/zinc/92/88/82/427928882.db2.gz TWDUFWQOKSNLAJ-PKOBYXMFSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000337487418 427928887 /nfs/dbraw/zinc/92/88/87/427928887.db2.gz TWDUFWQOKSNLAJ-PKOBYXMFSA-N 2 1 300.446 2.546 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000345874543 427937114 /nfs/dbraw/zinc/93/71/14/427937114.db2.gz LFKOWTCGGONKIH-HUUCEWRRSA-N 2 1 318.465 2.695 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc(C)c(C)o2)CC1 ZINC000337532825 427947999 /nfs/dbraw/zinc/94/79/99/427947999.db2.gz WIIWIYYJRKVWRJ-MRXNPFEDSA-N 2 1 307.482 2.965 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188848 427949383 /nfs/dbraw/zinc/94/93/83/427949383.db2.gz QKLQEKKEZUCRJT-RHSMWYFYSA-N 2 1 304.434 2.856 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000346132519 428029301 /nfs/dbraw/zinc/02/93/01/428029301.db2.gz BXNSPULQCFKTBP-IRXDYDNUSA-N 2 1 323.525 2.830 20 0 DFADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376965550 428031983 /nfs/dbraw/zinc/03/19/83/428031983.db2.gz AGVRVYYANDXBBC-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376965550 428031988 /nfs/dbraw/zinc/03/19/88/428031988.db2.gz AGVRVYYANDXBBC-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000376969327 428033194 /nfs/dbraw/zinc/03/31/94/428033194.db2.gz VSUCTDKDZZNLCV-OAHLLOKOSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000376969327 428033201 /nfs/dbraw/zinc/03/32/01/428033201.db2.gz VSUCTDKDZZNLCV-OAHLLOKOSA-N 2 1 315.417 2.595 20 0 DFADMP C[N@H+](Cc1cc(-n2ccnc2)cs1)C[C@@H]1CCC[NH+](C)C1 ZINC000346142281 428037326 /nfs/dbraw/zinc/03/73/26/428037326.db2.gz PAUNZHBQIQHISR-CQSZACIVSA-N 2 1 304.463 2.707 20 0 DFADMP C[NH+](Cc1cc(-n2ccnc2)cs1)C[C@@H]1CCC[N@H+](C)C1 ZINC000346142281 428037330 /nfs/dbraw/zinc/03/73/30/428037330.db2.gz PAUNZHBQIQHISR-CQSZACIVSA-N 2 1 304.463 2.707 20 0 DFADMP C[NH+](Cc1cc(-n2ccnc2)cs1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000346142281 428037334 /nfs/dbraw/zinc/03/73/34/428037334.db2.gz PAUNZHBQIQHISR-CQSZACIVSA-N 2 1 304.463 2.707 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC2(C1)CCOCC2 ZINC000346193361 428062543 /nfs/dbraw/zinc/06/25/43/428062543.db2.gz FWEDYQLYVIPLEW-UHFFFAOYSA-N 2 1 312.417 2.578 20 0 DFADMP C[N@H+](CCCCCF)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000376774215 427996483 /nfs/dbraw/zinc/99/64/83/427996483.db2.gz UXUUOKUPVWUQSR-SFHVURJKSA-N 2 1 308.441 2.695 20 0 DFADMP C[N@@H+](CCCCCF)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000376774215 427996486 /nfs/dbraw/zinc/99/64/86/427996486.db2.gz UXUUOKUPVWUQSR-SFHVURJKSA-N 2 1 308.441 2.695 20 0 DFADMP C[NH+](CCCCCF)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000376774215 427996489 /nfs/dbraw/zinc/99/64/89/427996489.db2.gz UXUUOKUPVWUQSR-SFHVURJKSA-N 2 1 308.441 2.695 20 0 DFADMP C[NH+](CCCCCF)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000376774215 427996491 /nfs/dbraw/zinc/99/64/91/427996491.db2.gz UXUUOKUPVWUQSR-SFHVURJKSA-N 2 1 308.441 2.695 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346049440 428000976 /nfs/dbraw/zinc/00/09/76/428000976.db2.gz NHLLAMUNBMAHNQ-MRXNPFEDSA-N 2 1 310.445 2.662 20 0 DFADMP Cc1cc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)nc(C)n1 ZINC000369562176 428001682 /nfs/dbraw/zinc/00/16/82/428001682.db2.gz XWGPSRQSFAJGJY-XJKSGUPXSA-N 2 1 302.447 3.260 20 0 DFADMP Cc1cc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)nc(C)[nH+]1 ZINC000369562176 428001694 /nfs/dbraw/zinc/00/16/94/428001694.db2.gz XWGPSRQSFAJGJY-XJKSGUPXSA-N 2 1 302.447 3.260 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000359776133 428015035 /nfs/dbraw/zinc/01/50/35/428015035.db2.gz VQADGZMMRFRDSX-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000359776133 428015038 /nfs/dbraw/zinc/01/50/38/428015038.db2.gz VQADGZMMRFRDSX-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000359776133 428015042 /nfs/dbraw/zinc/01/50/42/428015042.db2.gz VQADGZMMRFRDSX-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC3(C2)CCCCC3)CC1 ZINC000369618878 428019202 /nfs/dbraw/zinc/01/92/02/428019202.db2.gz NGJVTHRNCRMSFS-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1nc(C)c(C)c(N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000359902632 428068926 /nfs/dbraw/zinc/06/89/26/428068926.db2.gz QDELIHDAVSXTPW-KDURUIRLSA-N 2 1 322.456 2.970 20 0 DFADMP C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCC2 ZINC000377168144 428074016 /nfs/dbraw/zinc/07/40/16/428074016.db2.gz IVUUMNZMEQLXAA-GDIGMMSISA-N 2 1 300.446 2.689 20 0 DFADMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCC2 ZINC000377168144 428074022 /nfs/dbraw/zinc/07/40/22/428074022.db2.gz IVUUMNZMEQLXAA-GDIGMMSISA-N 2 1 300.446 2.689 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000369851615 428075220 /nfs/dbraw/zinc/07/52/20/428075220.db2.gz KFIOUIATGOGDEN-NXWXRZEISA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH+]1C ZINC000369851615 428075225 /nfs/dbraw/zinc/07/52/25/428075225.db2.gz KFIOUIATGOGDEN-NXWXRZEISA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH+]1C ZINC000369851615 428075231 /nfs/dbraw/zinc/07/52/31/428075231.db2.gz KFIOUIATGOGDEN-NXWXRZEISA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000359934929 428082416 /nfs/dbraw/zinc/08/24/16/428082416.db2.gz OCHMVBCUWFEMBN-RSPOEFSDSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+]2CCCC[C@H]12 ZINC000359934929 428082421 /nfs/dbraw/zinc/08/24/21/428082421.db2.gz OCHMVBCUWFEMBN-RSPOEFSDSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000359934929 428082426 /nfs/dbraw/zinc/08/24/26/428082426.db2.gz OCHMVBCUWFEMBN-RSPOEFSDSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000359934929 428082431 /nfs/dbraw/zinc/08/24/31/428082431.db2.gz OCHMVBCUWFEMBN-RSPOEFSDSA-N 2 1 313.489 2.723 20 0 DFADMP CC(C)(O)CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377316228 428103271 /nfs/dbraw/zinc/10/32/71/428103271.db2.gz LKAZBABXRVOXOZ-QZTJIDSGSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)(O)CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377316228 428103275 /nfs/dbraw/zinc/10/32/75/428103275.db2.gz LKAZBABXRVOXOZ-QZTJIDSGSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)(O)CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377316228 428103280 /nfs/dbraw/zinc/10/32/80/428103280.db2.gz LKAZBABXRVOXOZ-QZTJIDSGSA-N 2 1 302.462 2.601 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000369995116 428105741 /nfs/dbraw/zinc/10/57/41/428105741.db2.gz HGIBJXGYXIYNKA-UHFFFAOYSA-N 2 1 321.428 2.838 20 0 DFADMP Cc1cnc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)o1 ZINC000377337834 428108569 /nfs/dbraw/zinc/10/85/69/428108569.db2.gz QLTUFSBPLDFDCV-MSOLQXFVSA-N 2 1 311.429 2.937 20 0 DFADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000360000370 428109908 /nfs/dbraw/zinc/10/99/08/428109908.db2.gz RRIXJRWSKWSYLH-BZUAXINKSA-N 2 1 300.512 2.609 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1nc2cccnc2s1 ZINC000341573499 428110693 /nfs/dbraw/zinc/11/06/93/428110693.db2.gz DSLPMWZHXTUQJZ-ZDUSSCGKSA-N 2 1 304.463 2.998 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000360007762 428115390 /nfs/dbraw/zinc/11/53/90/428115390.db2.gz RDAYVHHMNXDLFT-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360007762 428115394 /nfs/dbraw/zinc/11/53/94/428115394.db2.gz RDAYVHHMNXDLFT-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360007762 428115397 /nfs/dbraw/zinc/11/53/97/428115397.db2.gz RDAYVHHMNXDLFT-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864654 428116935 /nfs/dbraw/zinc/11/69/35/428116935.db2.gz YTBADYOSXAQKJQ-WBVHZDCISA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cnn(Cc2ccccc2)c1 ZINC000360015140 428116984 /nfs/dbraw/zinc/11/69/84/428116984.db2.gz KOJXQZVDFHUGTK-YJBOKZPZSA-N 2 1 321.428 2.794 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000360015522 428117785 /nfs/dbraw/zinc/11/77/85/428117785.db2.gz LIIKSEZEGMKXQZ-CABCVRRESA-N 2 1 313.401 2.710 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCCCC[C@H]3O)sc2C1 ZINC000377402112 428123826 /nfs/dbraw/zinc/12/38/26/428123826.db2.gz TXWYUMQRPBNAHM-UKRRQHHQSA-N 2 1 323.506 2.693 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCCCC[C@H]3O)sc2C1 ZINC000377402112 428123828 /nfs/dbraw/zinc/12/38/28/428123828.db2.gz TXWYUMQRPBNAHM-UKRRQHHQSA-N 2 1 323.506 2.693 20 0 DFADMP C[C@H]1[C@H](NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000346322116 428124897 /nfs/dbraw/zinc/12/48/97/428124897.db2.gz HLDGYWFVASSYNM-QFBILLFUSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1[C@H](NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@H+]1C ZINC000346322116 428124899 /nfs/dbraw/zinc/12/48/99/428124899.db2.gz HLDGYWFVASSYNM-QFBILLFUSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1[C@H](NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000346322118 428125227 /nfs/dbraw/zinc/12/52/27/428125227.db2.gz HLDGYWFVASSYNM-VQIMIIECSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1[C@H](NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@H+]1C ZINC000346322118 428125231 /nfs/dbraw/zinc/12/52/31/428125231.db2.gz HLDGYWFVASSYNM-VQIMIIECSA-N 2 1 301.478 2.723 20 0 DFADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C2CCOCC2)CC1 ZINC000370067430 428125477 /nfs/dbraw/zinc/12/54/77/428125477.db2.gz YPQRBUYWAXTSEF-UHFFFAOYSA-N 2 1 315.392 2.675 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCCOC(C)C ZINC000346198284 428065446 /nfs/dbraw/zinc/06/54/46/428065446.db2.gz GDHWNKDLLDELSU-UHFFFAOYSA-N 2 1 302.422 2.823 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000346338564 428132194 /nfs/dbraw/zinc/13/21/94/428132194.db2.gz RDGYAAUTRVNHOM-IPMKNSEASA-N 2 1 316.489 2.847 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000346338564 428132199 /nfs/dbraw/zinc/13/21/99/428132199.db2.gz RDGYAAUTRVNHOM-IPMKNSEASA-N 2 1 316.489 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000346338564 428132204 /nfs/dbraw/zinc/13/22/04/428132204.db2.gz RDGYAAUTRVNHOM-IPMKNSEASA-N 2 1 316.489 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000346338564 428132208 /nfs/dbraw/zinc/13/22/08/428132208.db2.gz RDGYAAUTRVNHOM-IPMKNSEASA-N 2 1 316.489 2.847 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000370160087 428146246 /nfs/dbraw/zinc/14/62/46/428146246.db2.gz FNLRGJMJXBCGQC-ZFWWWQNUSA-N 2 1 306.479 2.751 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000346358757 428141198 /nfs/dbraw/zinc/14/11/98/428141198.db2.gz HLNVZJYENIWALJ-QGZVFWFLSA-N 2 1 320.452 2.849 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN3CCCC[C@@H]3CC[NH3+])sc2C1 ZINC000352540116 428142330 /nfs/dbraw/zinc/14/23/30/428142330.db2.gz HGJUUQMUHIUREU-CQSZACIVSA-N 2 1 322.522 2.613 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCCSC3)sc2C1 ZINC000346368372 428145042 /nfs/dbraw/zinc/14/50/42/428145042.db2.gz XTOUILGWGYUYAR-LBPRGKRZSA-N 2 1 311.520 2.895 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCCSC3)sc2C1 ZINC000346368372 428145048 /nfs/dbraw/zinc/14/50/48/428145048.db2.gz XTOUILGWGYUYAR-LBPRGKRZSA-N 2 1 311.520 2.895 20 0 DFADMP CN(C(=O)C1=CCC1)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000341610867 428128821 /nfs/dbraw/zinc/12/88/21/428128821.db2.gz LOUPFAJMUPHENN-QZTJIDSGSA-N 2 1 319.493 2.502 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000360039632 428130013 /nfs/dbraw/zinc/13/00/13/428130013.db2.gz LADCZZUXCCHDEX-NXHRZFHOSA-N 2 1 310.445 2.623 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3cccnc3s2)[C@H](C)C1 ZINC000341680777 428154684 /nfs/dbraw/zinc/15/46/84/428154684.db2.gz UWSDCEWKESKPTB-TZMCWYRMSA-N 2 1 304.463 2.853 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H]3CC4(CC4)C(=O)O3)C2)CC1 ZINC000370203062 428156261 /nfs/dbraw/zinc/15/62/61/428156261.db2.gz DNTQOMUORWCSGB-SJORKVTESA-N 2 1 320.477 2.526 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H]3CC4(CC4)C(=O)O3)C2)CC1 ZINC000370203062 428156265 /nfs/dbraw/zinc/15/62/65/428156265.db2.gz DNTQOMUORWCSGB-SJORKVTESA-N 2 1 320.477 2.526 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@H]3CC4(CC4)C(=O)O3)C2)CC1 ZINC000370203059 428156350 /nfs/dbraw/zinc/15/63/50/428156350.db2.gz DNTQOMUORWCSGB-DLBZAZTESA-N 2 1 320.477 2.526 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC4(CC4)C(=O)O3)C2)CC1 ZINC000370203059 428156355 /nfs/dbraw/zinc/15/63/55/428156355.db2.gz DNTQOMUORWCSGB-DLBZAZTESA-N 2 1 320.477 2.526 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000370316268 428182823 /nfs/dbraw/zinc/18/28/23/428182823.db2.gz RYRHWVUGENLDCV-XLIONFOSSA-N 2 1 324.472 2.721 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCO1)[C@H]1CCC[NH+](CC[C@H]2CCCO2)CC1 ZINC000346424557 428164562 /nfs/dbraw/zinc/16/45/62/428164562.db2.gz CTIATEXLQDMEDU-GBESFXJTSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CC[C@@H]1CCCO1)[C@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000346424557 428164566 /nfs/dbraw/zinc/16/45/66/428164566.db2.gz CTIATEXLQDMEDU-GBESFXJTSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CC[C@@H]1CCCO1)[C@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000346424557 428164572 /nfs/dbraw/zinc/16/45/72/428164572.db2.gz CTIATEXLQDMEDU-GBESFXJTSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+]1CCN([C@H]2CCCC[N@H+](CCSC(C)(C)C)C2)CC1 ZINC000370286749 428176431 /nfs/dbraw/zinc/17/64/31/428176431.db2.gz YJPXDFOYCMVDEC-INIZCTEOSA-N 2 1 313.555 2.620 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377626755 428176317 /nfs/dbraw/zinc/17/63/17/428176317.db2.gz OGTBTFOVVMCUJF-ZCNNSNEGSA-N 2 1 319.537 2.938 20 0 DFADMP C[NH+]1CCN([C@H]2CCCC[N@@H+](CCSC(C)(C)C)C2)CC1 ZINC000370286749 428176435 /nfs/dbraw/zinc/17/64/35/428176435.db2.gz YJPXDFOYCMVDEC-INIZCTEOSA-N 2 1 313.555 2.620 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000377623480 428177060 /nfs/dbraw/zinc/17/70/60/428177060.db2.gz FAXDQIZSYSQLKS-MRXNPFEDSA-N 2 1 307.507 2.657 20 0 DFADMP C[N@@H+](CCSC(C)(C)C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370286377 428177428 /nfs/dbraw/zinc/17/74/28/428177428.db2.gz VEJJZBBKPNJSBT-INIZCTEOSA-N 2 1 313.555 2.618 20 0 DFADMP CC(C)[C@@](C)(O)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370304872 428180032 /nfs/dbraw/zinc/18/00/32/428180032.db2.gz CNEWUTFQMHBAKV-QAPCUYQASA-N 2 1 305.466 2.806 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414110811 428208279 /nfs/dbraw/zinc/20/82/79/428208279.db2.gz ORJICROOVAIBDW-OHQAAIJDSA-N 2 1 302.462 2.777 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC[C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000356517027 428214870 /nfs/dbraw/zinc/21/48/70/428214870.db2.gz GAPILWASZNHKMN-ZCNNSNEGSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000356517027 428214874 /nfs/dbraw/zinc/21/48/74/428214874.db2.gz GAPILWASZNHKMN-ZCNNSNEGSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC[C@H]4CCOC4)C[C@@H]3C2)cc1 ZINC000356517027 428214878 /nfs/dbraw/zinc/21/48/78/428214878.db2.gz GAPILWASZNHKMN-ZCNNSNEGSA-N 2 1 314.473 2.867 20 0 DFADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356523046 428218534 /nfs/dbraw/zinc/21/85/34/428218534.db2.gz JMGQIBCESLRYRT-MOPGFXCFSA-N 2 1 324.472 2.980 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356523046 428218538 /nfs/dbraw/zinc/21/85/38/428218538.db2.gz JMGQIBCESLRYRT-MOPGFXCFSA-N 2 1 324.472 2.980 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356523046 428218539 /nfs/dbraw/zinc/21/85/39/428218539.db2.gz JMGQIBCESLRYRT-MOPGFXCFSA-N 2 1 324.472 2.980 20 0 DFADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H]1c1ccccc1 ZINC000377761226 428218642 /nfs/dbraw/zinc/21/86/42/428218642.db2.gz LXIRMNUDDPXZOW-RBUKOAKNSA-N 2 1 323.440 2.568 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2nc(C)cc(C)n2)CC1 ZINC000370475606 428219794 /nfs/dbraw/zinc/21/97/94/428219794.db2.gz IOFYKESVGDPVQG-UHFFFAOYSA-N 2 1 313.449 2.868 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccc2)c2ccncn2)C1 ZINC000414169065 428223209 /nfs/dbraw/zinc/22/32/09/428223209.db2.gz AWVHEDMXIYPDHJ-QFBILLFUSA-N 2 1 310.445 2.888 20 0 DFADMP Cc1nnc([C@H]2CC23CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC3)o1 ZINC000370496219 428223397 /nfs/dbraw/zinc/22/33/97/428223397.db2.gz LSECVOZCYAMNBU-HZPDHXFCSA-N 2 1 318.465 2.822 20 0 DFADMP Cc1nnc([C@H]2CC23CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC3)o1 ZINC000370496219 428223403 /nfs/dbraw/zinc/22/34/03/428223403.db2.gz LSECVOZCYAMNBU-HZPDHXFCSA-N 2 1 318.465 2.822 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)NCc1ncc(C[NH+](C)C)s1 ZINC000352734387 428223537 /nfs/dbraw/zinc/22/35/37/428223537.db2.gz XHOZTZMOBWIIJV-AWEZNQCLSA-N 2 1 310.511 2.559 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000414171906 428225892 /nfs/dbraw/zinc/22/58/92/428225892.db2.gz DJXZHFRBZYZMDW-ZDUSSCGKSA-N 2 1 303.406 2.774 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnc(C(C)(C)C)nc2)C1 ZINC000377835856 428241297 /nfs/dbraw/zinc/24/12/97/428241297.db2.gz XBKLSOJTFHDBEE-HOTGVXAUSA-N 2 1 302.466 2.690 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCOc3ccccc32)s1 ZINC000352765341 428238250 /nfs/dbraw/zinc/23/82/50/428238250.db2.gz NDTGAXXLIUFCSR-CYBMUJFWSA-N 2 1 317.458 2.861 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C)[NH+]1CCCCC1 ZINC000377662072 428187350 /nfs/dbraw/zinc/18/73/50/428187350.db2.gz LVFPJNBWKOZATK-FGTMMUONSA-N 2 1 321.509 2.582 20 0 DFADMP C[N@H+](CCN1CCCc2ccccc21)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377673763 428189223 /nfs/dbraw/zinc/18/92/23/428189223.db2.gz ISZOTIBQWDNFFP-KRWDZBQOSA-N 2 1 324.472 2.830 20 0 DFADMP C[N@@H+](CCN1CCCc2ccccc21)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377673763 428189229 /nfs/dbraw/zinc/18/92/29/428189229.db2.gz ISZOTIBQWDNFFP-KRWDZBQOSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1C[C@H]1C ZINC000414076700 428197794 /nfs/dbraw/zinc/19/77/94/428197794.db2.gz QIALKSYJXPOFAA-GPMSIDNRSA-N 2 1 301.478 2.568 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000414072042 428199260 /nfs/dbraw/zinc/19/92/60/428199260.db2.gz MIOHXRACONQNHV-JKSUJKDBSA-N 2 1 306.450 2.501 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000370404087 428201517 /nfs/dbraw/zinc/20/15/17/428201517.db2.gz GTYIRXXRGBKEFV-MRXNPFEDSA-N 2 1 313.401 2.503 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000370404087 428201523 /nfs/dbraw/zinc/20/15/23/428201523.db2.gz GTYIRXXRGBKEFV-MRXNPFEDSA-N 2 1 313.401 2.503 20 0 DFADMP C[N@H+](C[C@H](O)c1ccccc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370407758 428204204 /nfs/dbraw/zinc/20/42/04/428204204.db2.gz RVVVKBWYGKPMKB-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccccc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370407758 428204208 /nfs/dbraw/zinc/20/42/08/428204208.db2.gz RVVVKBWYGKPMKB-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414344234 428263418 /nfs/dbraw/zinc/26/34/18/428263418.db2.gz KIVZSCKUVKEFLM-LESCRADOSA-N 2 1 305.441 2.724 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000352831104 428269634 /nfs/dbraw/zinc/26/96/34/428269634.db2.gz BXZNKGBUJXJCSU-INIZCTEOSA-N 2 1 321.509 2.666 20 0 DFADMP COc1cc2c(c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1)O[C@@H](C)C2 ZINC000346679399 428270972 /nfs/dbraw/zinc/27/09/72/428270972.db2.gz MRDLGBBJTDXNOK-GUYCJALGSA-N 2 1 306.450 2.824 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1)O[C@@H](C)C2 ZINC000346679399 428270977 /nfs/dbraw/zinc/27/09/77/428270977.db2.gz MRDLGBBJTDXNOK-GUYCJALGSA-N 2 1 306.450 2.824 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000346693183 428274959 /nfs/dbraw/zinc/27/49/59/428274959.db2.gz LFHJBKKWOIZOLX-RDJZCZTQSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1ccc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)nn1 ZINC000414376473 428275966 /nfs/dbraw/zinc/27/59/66/428275966.db2.gz COQMAPCRSIFAER-IAGOWNOFSA-N 2 1 302.466 2.871 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(SC)cc1OC ZINC000346693968 428276484 /nfs/dbraw/zinc/27/64/84/428276484.db2.gz QWDRLFJBMJOMDE-VXGBXAGGSA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)c(SC)cc1OC ZINC000346693968 428276491 /nfs/dbraw/zinc/27/64/91/428276491.db2.gz QWDRLFJBMJOMDE-VXGBXAGGSA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(SC)cc1OC ZINC000346693967 428276635 /nfs/dbraw/zinc/27/66/35/428276635.db2.gz QWDRLFJBMJOMDE-RYUDHWBXSA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)c(SC)cc1OC ZINC000346693967 428276641 /nfs/dbraw/zinc/27/66/41/428276641.db2.gz QWDRLFJBMJOMDE-RYUDHWBXSA-N 2 1 310.463 2.595 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694597 428277026 /nfs/dbraw/zinc/27/70/26/428277026.db2.gz VBCWJSZBRRCRNO-YPMHNXCESA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694081 428277401 /nfs/dbraw/zinc/27/74/01/428277401.db2.gz RTVTYJGTRXBMFV-DGCLKSJQSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000346692537 428277653 /nfs/dbraw/zinc/27/76/53/428277653.db2.gz ZSVNDWAVDNDHCU-HZPDHXFCSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000370707024 428278930 /nfs/dbraw/zinc/27/89/30/428278930.db2.gz NOCYSFVQCWNMTC-FXAWDEMLSA-N 2 1 315.505 2.761 20 0 DFADMP CCc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000414426581 428291605 /nfs/dbraw/zinc/29/16/05/428291605.db2.gz HRBZYMCKMRCWKI-GDBMZVCRSA-N 2 1 302.466 2.782 20 0 DFADMP CCc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000414426581 428291609 /nfs/dbraw/zinc/29/16/09/428291609.db2.gz HRBZYMCKMRCWKI-GDBMZVCRSA-N 2 1 302.466 2.782 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000346616878 428242881 /nfs/dbraw/zinc/24/28/81/428242881.db2.gz PHSJGUIAHVPVSN-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000346616878 428242894 /nfs/dbraw/zinc/24/28/94/428242894.db2.gz PHSJGUIAHVPVSN-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000346616878 428242898 /nfs/dbraw/zinc/24/28/98/428242898.db2.gz PHSJGUIAHVPVSN-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352774128 428243023 /nfs/dbraw/zinc/24/30/23/428243023.db2.gz VYHPYBQWAHYFJX-GASCZTMLSA-N 2 1 324.538 2.662 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352774128 428243027 /nfs/dbraw/zinc/24/30/27/428243027.db2.gz VYHPYBQWAHYFJX-GASCZTMLSA-N 2 1 324.538 2.662 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000341896654 428245004 /nfs/dbraw/zinc/24/50/04/428245004.db2.gz IWVIESAMNGSRHP-HLLBOEOZSA-N 2 1 306.450 2.530 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000341896654 428245009 /nfs/dbraw/zinc/24/50/09/428245009.db2.gz IWVIESAMNGSRHP-HLLBOEOZSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858683 428246713 /nfs/dbraw/zinc/24/67/13/428246713.db2.gz AUOUKRGHILFWKG-HNAYVOBHSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858683 428246717 /nfs/dbraw/zinc/24/67/17/428246717.db2.gz AUOUKRGHILFWKG-HNAYVOBHSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858683 428246723 /nfs/dbraw/zinc/24/67/23/428246723.db2.gz AUOUKRGHILFWKG-HNAYVOBHSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858683 428246728 /nfs/dbraw/zinc/24/67/28/428246728.db2.gz AUOUKRGHILFWKG-HNAYVOBHSA-N 2 1 312.461 2.859 20 0 DFADMP C[N@@H+](Cc1cnc(C(C)(C)C)nc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377862234 428248397 /nfs/dbraw/zinc/24/83/97/428248397.db2.gz WGIUTNXSWNFZLX-AWEZNQCLSA-N 2 1 313.449 2.665 20 0 DFADMP C[N@H+](Cc1cnc(C(C)(C)C)nc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377862234 428248399 /nfs/dbraw/zinc/24/83/99/428248399.db2.gz WGIUTNXSWNFZLX-AWEZNQCLSA-N 2 1 313.449 2.665 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@@H]2CCCC[C@H]2O)s1 ZINC000352789199 428249205 /nfs/dbraw/zinc/24/92/05/428249205.db2.gz MWCNHVPOSRSCRH-DZGCQCFKSA-N 2 1 311.495 2.626 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000356607742 428252663 /nfs/dbraw/zinc/25/26/63/428252663.db2.gz YEJXJUWBDXVYJM-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346646609 428253655 /nfs/dbraw/zinc/25/36/55/428253655.db2.gz OQHKFULNUBMGCY-ZBFHGGJFSA-N 2 1 306.450 2.899 20 0 DFADMP CO[C@@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000370632398 428257975 /nfs/dbraw/zinc/25/79/75/428257975.db2.gz AIYMDIYWAIXUJW-OCCSQVGLSA-N 2 1 309.454 2.516 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414319144 428258785 /nfs/dbraw/zinc/25/87/85/428258785.db2.gz YQRIPKBMNYVLDR-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414319144 428258790 /nfs/dbraw/zinc/25/87/90/428258790.db2.gz YQRIPKBMNYVLDR-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414329269 428261243 /nfs/dbraw/zinc/26/12/43/428261243.db2.gz BBTWTETVFQGZRU-VYDXJSESSA-N 2 1 309.498 2.532 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342120362 428309133 /nfs/dbraw/zinc/30/91/33/428309133.db2.gz HYROBYAXHJRZSF-PLYYQAHHSA-N 2 1 315.461 2.635 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342120362 428309138 /nfs/dbraw/zinc/30/91/38/428309138.db2.gz HYROBYAXHJRZSF-PLYYQAHHSA-N 2 1 315.461 2.635 20 0 DFADMP COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000378165471 428322928 /nfs/dbraw/zinc/32/29/28/428322928.db2.gz GCJGNWWZNUVOFD-ULQDDVLXSA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1N1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000378165471 428322933 /nfs/dbraw/zinc/32/29/33/428322933.db2.gz GCJGNWWZNUVOFD-ULQDDVLXSA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000342152816 428325730 /nfs/dbraw/zinc/32/57/30/428325730.db2.gz YTBLABFXXBXGIE-JCGIZDLHSA-N 2 1 304.434 2.523 20 0 DFADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346817950 428329504 /nfs/dbraw/zinc/32/95/04/428329504.db2.gz BQJKUDGUHOYWGZ-CFVMTHIKSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346817950 428329512 /nfs/dbraw/zinc/32/95/12/428329512.db2.gz BQJKUDGUHOYWGZ-CFVMTHIKSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)s2)o1 ZINC000346816658 428329529 /nfs/dbraw/zinc/32/95/29/428329529.db2.gz DYEYKCGLTMEMAS-IACUBPJLSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)s2)o1 ZINC000346816658 428329531 /nfs/dbraw/zinc/32/95/31/428329531.db2.gz DYEYKCGLTMEMAS-IACUBPJLSA-N 2 1 303.431 2.881 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccn4)s3)C[C@@H]21 ZINC000346816321 428330432 /nfs/dbraw/zinc/33/04/32/428330432.db2.gz AIEJYFCFJNLPND-AEGPPILISA-N 2 1 314.458 2.764 20 0 DFADMP COCCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346826688 428335261 /nfs/dbraw/zinc/33/52/61/428335261.db2.gz MAMGBGLPXPSRQI-WDSOQIARSA-N 2 1 318.461 2.661 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000346830154 428338300 /nfs/dbraw/zinc/33/83/00/428338300.db2.gz KAULAGWDPZSCNJ-RHSMWYFYSA-N 2 1 304.434 2.840 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@@H]12 ZINC000346845124 428342781 /nfs/dbraw/zinc/34/27/81/428342781.db2.gz ZIFHWXLYNQEKDZ-DMDPSCGWSA-N 2 1 300.324 2.596 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@@H]12 ZINC000346845124 428342785 /nfs/dbraw/zinc/34/27/85/428342785.db2.gz ZIFHWXLYNQEKDZ-DMDPSCGWSA-N 2 1 300.324 2.596 20 0 DFADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1)OCCO2 ZINC000346852475 428344228 /nfs/dbraw/zinc/34/42/28/428344228.db2.gz RREIUBRDAFQSSR-GOEBONIOSA-N 2 1 302.418 2.594 20 0 DFADMP CC(C)CSCCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000378248764 428345467 /nfs/dbraw/zinc/34/54/67/428345467.db2.gz ZXGRQFAXQHESDA-BRWVUGGUSA-N 2 1 314.539 2.949 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346851266 428346010 /nfs/dbraw/zinc/34/60/10/428346010.db2.gz VOUWFJUJISYCOX-IPELMVKDSA-N 2 1 310.445 2.740 20 0 DFADMP CCc1cccnc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000356887502 428349926 /nfs/dbraw/zinc/34/99/26/428349926.db2.gz YOWYGPGAWFLSJL-DOTOQJQBSA-N 2 1 305.466 2.532 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360570204 428352473 /nfs/dbraw/zinc/35/24/73/428352473.db2.gz QKSIGHXCDNJXQD-OAHLLOKOSA-N 2 1 314.351 2.770 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360570204 428352478 /nfs/dbraw/zinc/35/24/78/428352478.db2.gz QKSIGHXCDNJXQD-OAHLLOKOSA-N 2 1 314.351 2.770 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000342216230 428352769 /nfs/dbraw/zinc/35/27/69/428352769.db2.gz CRXGZWOAVKBCRO-CQSZACIVSA-N 2 1 310.405 2.513 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360447056 428301420 /nfs/dbraw/zinc/30/14/20/428301420.db2.gz WKQNHDWSKBWEBG-STQMWFEESA-N 2 1 310.413 2.835 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360447056 428301422 /nfs/dbraw/zinc/30/14/22/428301422.db2.gz WKQNHDWSKBWEBG-STQMWFEESA-N 2 1 310.413 2.835 20 0 DFADMP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735026 428390975 /nfs/dbraw/zinc/39/09/75/428390975.db2.gz BVCZDKCXCJTDSF-NVXWUHKLSA-N 2 1 317.477 2.598 20 0 DFADMP CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414742781 428391014 /nfs/dbraw/zinc/39/10/14/428391014.db2.gz UDAVGBPPDUFJHX-UONOGXRCSA-N 2 1 321.490 2.667 20 0 DFADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414742940 428391465 /nfs/dbraw/zinc/39/14/65/428391465.db2.gz MRPXEYLSFYUCSW-OAHLLOKOSA-N 2 1 324.538 2.593 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353122294 428392056 /nfs/dbraw/zinc/39/20/56/428392056.db2.gz VCFRBMZNTYZBPR-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353122294 428392062 /nfs/dbraw/zinc/39/20/62/428392062.db2.gz VCFRBMZNTYZBPR-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000414750873 428392481 /nfs/dbraw/zinc/39/24/81/428392481.db2.gz YZQVPRQOILCNNF-DLBZAZTESA-N 2 1 308.466 2.510 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000414750873 428392487 /nfs/dbraw/zinc/39/24/87/428392487.db2.gz YZQVPRQOILCNNF-DLBZAZTESA-N 2 1 308.466 2.510 20 0 DFADMP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414751220 428393630 /nfs/dbraw/zinc/39/36/30/428393630.db2.gz AAMGUXZLMNCWPH-LMSBXDPUSA-N 2 1 316.445 2.753 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]1 ZINC000414761074 428394647 /nfs/dbraw/zinc/39/46/47/428394647.db2.gz ZZWGUEUMANUAMT-MSOLQXFVSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]1 ZINC000414761077 428394743 /nfs/dbraw/zinc/39/47/43/428394743.db2.gz ZZWGUEUMANUAMT-ROUUACIJSA-N 2 1 324.472 2.909 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH2+]C[C@@](C)(F)C1 ZINC000414764487 428399362 /nfs/dbraw/zinc/39/93/62/428399362.db2.gz DMWZDNMECSQXRS-LJQANCHMSA-N 2 1 321.484 2.778 20 0 DFADMP C[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774058 428400330 /nfs/dbraw/zinc/40/03/30/428400330.db2.gz FDPLXHZQGAUMCE-GDBMZVCRSA-N 2 1 306.425 2.617 20 0 DFADMP CCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414794688 428414334 /nfs/dbraw/zinc/41/43/34/428414334.db2.gz VQOQAXURKWYBAM-KRWDZBQOSA-N 2 1 318.461 2.663 20 0 DFADMP CCCc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414776283 428404772 /nfs/dbraw/zinc/40/47/72/428404772.db2.gz GXAZDSZBYCHGIU-SFHVURJKSA-N 2 1 302.462 2.826 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414780630 428404933 /nfs/dbraw/zinc/40/49/33/428404933.db2.gz LUKJVLCUHONJQC-PMACEKPBSA-N 2 1 324.472 2.753 20 0 DFADMP COC(=O)C[C@](C)(NCC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000353152528 428405344 /nfs/dbraw/zinc/40/53/44/428405344.db2.gz XFNMDICJPZKIPO-WMZOPIPTSA-N 2 1 322.424 2.678 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)ccc2F)CC12CCOCC2 ZINC000414784471 428406903 /nfs/dbraw/zinc/40/69/03/428406903.db2.gz RIHTZXAZZUGXQF-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)ccc2F)CC12CCOCC2 ZINC000414784471 428406910 /nfs/dbraw/zinc/40/69/10/428406910.db2.gz RIHTZXAZZUGXQF-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP Fc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCC(F)(F)F ZINC000414783769 428407965 /nfs/dbraw/zinc/40/79/65/428407965.db2.gz GOSFHCTUNFHOCU-UHFFFAOYSA-N 2 1 306.303 2.608 20 0 DFADMP CCc1cccc(F)c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784283 428408124 /nfs/dbraw/zinc/40/81/24/428408124.db2.gz RCSROJNVYAFHLA-HNNXBMFYSA-N 2 1 306.425 2.575 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414786118 428409966 /nfs/dbraw/zinc/40/99/66/428409966.db2.gz UCHLMZPLQFKMIN-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414786118 428409974 /nfs/dbraw/zinc/40/99/74/428409974.db2.gz UCHLMZPLQFKMIN-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP CCn1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788179 428410166 /nfs/dbraw/zinc/41/01/66/428410166.db2.gz WJODZWNKFQMYJY-HOTGVXAUSA-N 2 1 312.461 2.878 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CCOCC1 ZINC000360582348 428356678 /nfs/dbraw/zinc/35/66/78/428356678.db2.gz QGDMOPOFAITONE-IEBWSBKVSA-N 2 1 316.489 2.973 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000414660396 428367755 /nfs/dbraw/zinc/36/77/55/428367755.db2.gz NZJYNIVJLKYDQI-ZFWWWQNUSA-N 2 1 316.424 2.879 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673100 428371267 /nfs/dbraw/zinc/37/12/67/428371267.db2.gz QFXKXEPMCDTBCO-HOCLYGCPSA-N 2 1 301.438 2.634 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000414673100 428371271 /nfs/dbraw/zinc/37/12/71/428371271.db2.gz QFXKXEPMCDTBCO-HOCLYGCPSA-N 2 1 301.438 2.634 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000414681366 428372678 /nfs/dbraw/zinc/37/26/78/428372678.db2.gz OXUTZSDTNSCNNR-BFYDXBDKSA-N 2 1 316.445 2.983 20 0 DFADMP COc1ccc(C[N@H+]2CCCN(C[C@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414675552 428372890 /nfs/dbraw/zinc/37/28/90/428372890.db2.gz TZRHLKCUFLHDED-GOSISDBHSA-N 2 1 319.493 2.576 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000371174196 428376306 /nfs/dbraw/zinc/37/63/06/428376306.db2.gz BTYOITXUSIOKKV-KRWDZBQOSA-N 2 1 310.482 2.918 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000414694018 428378029 /nfs/dbraw/zinc/37/80/29/428378029.db2.gz NJDMZNPPBOSENX-FUHWJXTLSA-N 2 1 317.477 2.502 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000414694018 428378033 /nfs/dbraw/zinc/37/80/33/428378033.db2.gz NJDMZNPPBOSENX-FUHWJXTLSA-N 2 1 317.477 2.502 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000414693865 428378721 /nfs/dbraw/zinc/37/87/21/428378721.db2.gz MMJGRZXZBAABAW-JFIYKMOQSA-N 2 1 315.461 2.502 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692778 428379083 /nfs/dbraw/zinc/37/90/83/428379083.db2.gz LQHKWOACJQAWPG-QRVBRYPASA-N 3 1 307.526 2.963 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000357071964 428379265 /nfs/dbraw/zinc/37/92/65/428379265.db2.gz CXMYJQOAZJGWRN-DLBZAZTESA-N 2 1 300.446 2.856 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1C ZINC000357071964 428379269 /nfs/dbraw/zinc/37/92/69/428379269.db2.gz CXMYJQOAZJGWRN-DLBZAZTESA-N 2 1 300.446 2.856 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702401 428381338 /nfs/dbraw/zinc/38/13/38/428381338.db2.gz BJIVGDKPAZXEDY-QRQLOZEOSA-N 2 1 302.462 2.708 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000378368241 428381426 /nfs/dbraw/zinc/38/14/26/428381426.db2.gz GHEZQEWTWCPZGN-CEXWTWQISA-N 2 1 302.462 2.987 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000414704222 428381946 /nfs/dbraw/zinc/38/19/46/428381946.db2.gz CZGVNHDTGBVGME-WMZOPIPTSA-N 2 1 316.493 2.618 20 0 DFADMP c1cc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cs1 ZINC000357089374 428382459 /nfs/dbraw/zinc/38/24/59/428382459.db2.gz PMGAEXRWFNZVBE-CYBMUJFWSA-N 2 1 318.446 2.620 20 0 DFADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414713058 428382903 /nfs/dbraw/zinc/38/29/03/428382903.db2.gz UVGUAIDDQQVXAU-IAGOWNOFSA-N 2 1 317.477 2.952 20 0 DFADMP c1ccc2c(c1)C=C(CN1C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C1)CO2 ZINC000360791575 428439472 /nfs/dbraw/zinc/43/94/72/428439472.db2.gz OGAYEABNTQUEBN-QRVBRYPASA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[N@@H+]1C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C1)CO2 ZINC000360791575 428439477 /nfs/dbraw/zinc/43/94/77/428439477.db2.gz OGAYEABNTQUEBN-QRVBRYPASA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[N@H+]1C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C1)CO2 ZINC000360791575 428439484 /nfs/dbraw/zinc/43/94/84/428439484.db2.gz OGAYEABNTQUEBN-QRVBRYPASA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[NH+]1C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C1)CO2 ZINC000360791575 428439489 /nfs/dbraw/zinc/43/94/89/428439489.db2.gz OGAYEABNTQUEBN-QRVBRYPASA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[NH+]1C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C1)CO2 ZINC000360791575 428439492 /nfs/dbraw/zinc/43/94/92/428439492.db2.gz OGAYEABNTQUEBN-QRVBRYPASA-N 2 1 310.441 2.879 20 0 DFADMP CC(C)C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357224949 428442981 /nfs/dbraw/zinc/44/29/81/428442981.db2.gz BZGCVAFMKFDBLW-BHIYHBOVSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000357229660 428446105 /nfs/dbraw/zinc/44/61/05/428446105.db2.gz IHWHLZFJQONBFP-PKOBYXMFSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357229660 428446109 /nfs/dbraw/zinc/44/61/09/428446109.db2.gz IHWHLZFJQONBFP-PKOBYXMFSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357229660 428446114 /nfs/dbraw/zinc/44/61/14/428446114.db2.gz IHWHLZFJQONBFP-PKOBYXMFSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357240510 428450874 /nfs/dbraw/zinc/45/08/74/428450874.db2.gz VHPRAQLQXCBYOH-VDZJLULYSA-N 2 1 324.472 2.767 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414902458 428451288 /nfs/dbraw/zinc/45/12/88/428451288.db2.gz IDAWQYYWNLUFKO-ZGXWSNOMSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414902458 428451293 /nfs/dbraw/zinc/45/12/93/428451293.db2.gz IDAWQYYWNLUFKO-ZGXWSNOMSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000414902458 428451298 /nfs/dbraw/zinc/45/12/98/428451298.db2.gz IDAWQYYWNLUFKO-ZGXWSNOMSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414908234 428452680 /nfs/dbraw/zinc/45/26/80/428452680.db2.gz BDRZSRDGJXBRLJ-YWPYICTPSA-N 2 1 311.267 2.968 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000360824903 428454444 /nfs/dbraw/zinc/45/44/44/428454444.db2.gz KOBQRERZHKSJPP-MSOLQXFVSA-N 2 1 310.445 2.804 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(-c2ccccc2)n1 ZINC000360824903 428454448 /nfs/dbraw/zinc/45/44/48/428454448.db2.gz KOBQRERZHKSJPP-MSOLQXFVSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414925373 428459311 /nfs/dbraw/zinc/45/93/11/428459311.db2.gz JMYCNDSUAAGHTJ-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000414947995 428464964 /nfs/dbraw/zinc/46/49/64/428464964.db2.gz LQKRIDXBEKEKAT-JQWIXIFHSA-N 2 1 300.349 2.527 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414946444 428466153 /nfs/dbraw/zinc/46/61/53/428466153.db2.gz JODYZVGSQPFYMD-KBXCAEBGSA-N 2 1 312.461 2.778 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414953238 428468208 /nfs/dbraw/zinc/46/82/08/428468208.db2.gz JJVYURCSTUFQGD-NOZJJQNGSA-N 2 1 301.203 2.676 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc(Cl)c1OC ZINC000414953436 428468562 /nfs/dbraw/zinc/46/85/62/428468562.db2.gz RPYGGAWKLSFTNS-AAEUAGOBSA-N 2 1 312.841 2.977 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OCc2noc(C)n2)cc1 ZINC000414802650 428417426 /nfs/dbraw/zinc/41/74/26/428417426.db2.gz KZQUGQVRAQQBMA-UHFFFAOYSA-N 2 1 318.421 2.564 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414811593 428419500 /nfs/dbraw/zinc/41/95/00/428419500.db2.gz JPXIFRCBQHSXJT-FUHWJXTLSA-N 2 1 306.450 2.852 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414821099 428420624 /nfs/dbraw/zinc/42/06/24/428420624.db2.gz BSCOSAQTSWBMDF-OLZOCXBDSA-N 2 1 309.841 2.707 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414815107 428421509 /nfs/dbraw/zinc/42/15/09/428421509.db2.gz ZYGBQWFXBSDRIM-AZUAARDMSA-N 2 1 315.505 2.801 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000353190277 428421805 /nfs/dbraw/zinc/42/18/05/428421805.db2.gz ZBGKDRAVSVUHMO-UGSOOPFHSA-N 2 1 314.433 2.875 20 0 DFADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360758267 428426283 /nfs/dbraw/zinc/42/62/83/428426283.db2.gz GCKRYMIMYZFUFM-CUDHKJQZSA-N 2 1 313.489 2.821 20 0 DFADMP C[C@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000378568718 428427002 /nfs/dbraw/zinc/42/70/02/428427002.db2.gz PAGCKNWYMBSOPN-LSDHHAIUSA-N 2 1 322.522 2.822 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000378568718 428427008 /nfs/dbraw/zinc/42/70/08/428427008.db2.gz PAGCKNWYMBSOPN-LSDHHAIUSA-N 2 1 322.522 2.822 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@@H]1[NH3+] ZINC000347056410 428428821 /nfs/dbraw/zinc/42/88/21/428428821.db2.gz VBMXFZUCSJIVKN-KXBFYZLASA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)CC[C@H]1[NH3+] ZINC000347056408 428429323 /nfs/dbraw/zinc/42/93/23/428429323.db2.gz VBMXFZUCSJIVKN-HNAYVOBHSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H](C[NH3+])C3CCCCC3)CC2)n1 ZINC000414853123 428431680 /nfs/dbraw/zinc/43/16/80/428431680.db2.gz RVRJXOPKTHKCEG-INIZCTEOSA-N 2 1 322.522 2.918 20 0 DFADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414979361 428480216 /nfs/dbraw/zinc/48/02/16/428480216.db2.gz NTIYWOXUWWPRBB-KRWDZBQOSA-N 2 1 321.428 2.761 20 0 DFADMP C[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414986138 428480884 /nfs/dbraw/zinc/48/08/84/428480884.db2.gz NMIFCBSLBIUIJK-VHSXEESVSA-N 2 1 303.219 2.717 20 0 DFADMP CCOCC[N@@H+]1CCN(c2cc[nH+]c(C)c2Cl)C[C@H]1CC ZINC000357320208 428482435 /nfs/dbraw/zinc/48/24/35/428482435.db2.gz DBDCZMSUEIQLKR-CQSZACIVSA-N 2 1 311.857 2.981 20 0 DFADMP CCOCC[N@H+]1CCN(c2cc[nH+]c(C)c2Cl)C[C@H]1CC ZINC000357320208 428482440 /nfs/dbraw/zinc/48/24/40/428482440.db2.gz DBDCZMSUEIQLKR-CQSZACIVSA-N 2 1 311.857 2.981 20 0 DFADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414992478 428482881 /nfs/dbraw/zinc/48/28/81/428482881.db2.gz BSTBAQYUUAXJIT-NSHDSACASA-N 2 1 324.293 2.920 20 0 DFADMP CCC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)C1CC[NH2+]CC1 ZINC000347184749 428484526 /nfs/dbraw/zinc/48/45/26/428484526.db2.gz YIIBFKAOJDQBOJ-UHFFFAOYSA-N 2 1 322.449 2.676 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000415004009 428486405 /nfs/dbraw/zinc/48/64/05/428486405.db2.gz NPIPPWFUUDPGNM-HNNXBMFYSA-N 2 1 310.388 2.810 20 0 DFADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415011245 428487777 /nfs/dbraw/zinc/48/77/77/428487777.db2.gz ZSVCYFVHXOSLNX-OCCSQVGLSA-N 2 1 300.368 2.981 20 0 DFADMP COc1ccncc1C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000347196273 428488643 /nfs/dbraw/zinc/48/86/43/428488643.db2.gz AEVIPEUJUJJBBL-OAHLLOKOSA-N 2 1 312.417 2.613 20 0 DFADMP COc1ccncc1CN1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000347196273 428488650 /nfs/dbraw/zinc/48/86/50/428488650.db2.gz AEVIPEUJUJJBBL-OAHLLOKOSA-N 2 1 312.417 2.613 20 0 DFADMP CCc1nc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000342931968 428488800 /nfs/dbraw/zinc/48/88/00/428488800.db2.gz LNZYNFZHHMDBGQ-LSDHHAIUSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1nc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000342931968 428488806 /nfs/dbraw/zinc/48/88/06/428488806.db2.gz LNZYNFZHHMDBGQ-LSDHHAIUSA-N 2 1 302.466 3.412 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000394422736 428488968 /nfs/dbraw/zinc/48/89/68/428488968.db2.gz SHQMZWSFCMCMCJ-WOJBJXKFSA-N 2 1 324.472 2.895 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000394422736 428488975 /nfs/dbraw/zinc/48/89/75/428488975.db2.gz SHQMZWSFCMCMCJ-WOJBJXKFSA-N 2 1 324.472 2.895 20 0 DFADMP COc1ccncc1C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000347196272 428489431 /nfs/dbraw/zinc/48/94/31/428489431.db2.gz AEVIPEUJUJJBBL-HNNXBMFYSA-N 2 1 312.417 2.613 20 0 DFADMP COc1ccncc1CN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000347196272 428489436 /nfs/dbraw/zinc/48/94/36/428489436.db2.gz AEVIPEUJUJJBBL-HNNXBMFYSA-N 2 1 312.417 2.613 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCOC1 ZINC000357338870 428489608 /nfs/dbraw/zinc/48/96/08/428489608.db2.gz BBFPAYWAJSLYSJ-JFRXWTBNSA-N 2 1 302.462 2.769 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000360933048 428497149 /nfs/dbraw/zinc/49/71/49/428497149.db2.gz IDNJGWJLJCIGHD-MJGOQNOKSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360933048 428497150 /nfs/dbraw/zinc/49/71/50/428497150.db2.gz IDNJGWJLJCIGHD-MJGOQNOKSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360933048 428497153 /nfs/dbraw/zinc/49/71/53/428497153.db2.gz IDNJGWJLJCIGHD-MJGOQNOKSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000396344746 428497462 /nfs/dbraw/zinc/49/74/62/428497462.db2.gz PAVYJMJODPMGCR-ZIFCJYIRSA-N 2 1 301.478 2.581 20 0 DFADMP CN(Cc1ccc(C(C)(C)C)s1)C1CC[NH+](CCO)CC1 ZINC000353351187 428498161 /nfs/dbraw/zinc/49/81/61/428498161.db2.gz JNTGJYDSIHNHNG-UHFFFAOYSA-N 2 1 310.507 2.934 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415053085 428501339 /nfs/dbraw/zinc/50/13/39/428501339.db2.gz NYDMYWXUQDFODC-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052491 428501583 /nfs/dbraw/zinc/50/15/83/428501583.db2.gz HTDZDHRZKLMLRG-RVKKMQEKSA-N 2 1 303.450 2.629 20 0 DFADMP C[C@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000396679592 428501960 /nfs/dbraw/zinc/50/19/60/428501960.db2.gz VJZJOCVVAYUGNQ-MNIJEXPFSA-N 2 1 313.489 2.912 20 0 DFADMP Cc1cc(Cl)ccc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415059203 428502459 /nfs/dbraw/zinc/50/24/59/428502459.db2.gz USYPIHLWSBFTFQ-UHFFFAOYSA-N 2 1 321.896 2.954 20 0 DFADMP C1CC1[C@@H]1CCCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058101 428504017 /nfs/dbraw/zinc/50/40/17/428504017.db2.gz SJHMCJFJHDTVBO-WZOJCFFYSA-N 2 1 305.510 2.761 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000415059048 428505204 /nfs/dbraw/zinc/50/52/04/428505204.db2.gz WUFDVKRMWXLHKH-ZRGWGRIASA-N 2 1 317.477 2.937 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360952022 428505960 /nfs/dbraw/zinc/50/59/60/428505960.db2.gz VKISCZPIDIBJSF-LBPRGKRZSA-N 2 1 300.397 2.568 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360952022 428505967 /nfs/dbraw/zinc/50/59/67/428505967.db2.gz VKISCZPIDIBJSF-LBPRGKRZSA-N 2 1 300.397 2.568 20 0 DFADMP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)s1)C[C@H](O)C[NH3+] ZINC000415062888 428507235 /nfs/dbraw/zinc/50/72/35/428507235.db2.gz ZOTVCBVOUUQLMF-CYBMUJFWSA-N 2 1 310.850 2.820 20 0 DFADMP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)s1)C[C@H](O)C[NH3+] ZINC000415062888 428507241 /nfs/dbraw/zinc/50/72/41/428507241.db2.gz ZOTVCBVOUUQLMF-CYBMUJFWSA-N 2 1 310.850 2.820 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415060863 428507484 /nfs/dbraw/zinc/50/74/84/428507484.db2.gz ZBWVRUBTIXRDEO-MSOLQXFVSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1C[NH3+] ZINC000415130690 428531533 /nfs/dbraw/zinc/53/15/33/428531533.db2.gz RJWVADLIWLGIHF-TZMCWYRMSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1C[NH3+] ZINC000415130690 428531536 /nfs/dbraw/zinc/53/15/36/428531536.db2.gz RJWVADLIWLGIHF-TZMCWYRMSA-N 2 1 302.447 2.622 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CCCC1 ZINC000415069405 428508389 /nfs/dbraw/zinc/50/83/89/428508389.db2.gz SMKNKCSATSZYRK-OALUTQOASA-N 2 1 318.461 2.852 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC[NH+](CC)CC ZINC000372947131 428509103 /nfs/dbraw/zinc/50/91/03/428509103.db2.gz JHHKRFGLANIGBT-DLBZAZTESA-N 2 1 309.498 2.584 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN[C@H](C[NH3+])C3CCCC3)sc2C1 ZINC000415067071 428509222 /nfs/dbraw/zinc/50/92/22/428509222.db2.gz OWPHVNXRBHEQQW-OAHLLOKOSA-N 2 1 322.522 2.517 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397396614 428509483 /nfs/dbraw/zinc/50/94/83/428509483.db2.gz PMMIOVYZRPFPHA-XHSDSOJGSA-N 2 1 306.450 2.769 20 0 DFADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)CCC1 ZINC000372994678 428509780 /nfs/dbraw/zinc/50/97/80/428509780.db2.gz FKSWATHDAISDIG-VSZNYVQBSA-N 2 1 324.509 2.813 20 0 DFADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCC1 ZINC000372994678 428509786 /nfs/dbraw/zinc/50/97/86/428509786.db2.gz FKSWATHDAISDIG-VSZNYVQBSA-N 2 1 324.509 2.813 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H](C[NH3+])C3CCCC3)cnc21 ZINC000415067786 428509955 /nfs/dbraw/zinc/50/99/55/428509955.db2.gz PQXQDSGRYZVEKW-INIZCTEOSA-N 2 1 301.438 2.619 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[NH2+]CCOc1cccc(Br)c1 ZINC000415075824 428509971 /nfs/dbraw/zinc/50/99/71/428509971.db2.gz FPLMYXQUAUFKHO-CYBMUJFWSA-N 2 1 315.255 2.791 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC ZINC000415071539 428511210 /nfs/dbraw/zinc/51/12/10/428511210.db2.gz WMCQFOFJRRLADE-CZUORRHYSA-N 2 1 306.450 2.742 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000398018164 428515890 /nfs/dbraw/zinc/51/58/90/428515890.db2.gz ILYVJPZVVZOJQB-BVBHFADKSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398018164 428515896 /nfs/dbraw/zinc/51/58/96/428515896.db2.gz ILYVJPZVVZOJQB-BVBHFADKSA-N 2 1 301.478 2.757 20 0 DFADMP CON1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398172058 428517164 /nfs/dbraw/zinc/51/71/64/428517164.db2.gz UXCLLACNTVTIRS-LPHOPBHVSA-N 2 1 317.477 2.512 20 0 DFADMP CON1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398172058 428517173 /nfs/dbraw/zinc/51/71/73/428517173.db2.gz UXCLLACNTVTIRS-LPHOPBHVSA-N 2 1 317.477 2.512 20 0 DFADMP CCN(CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000347267316 428519446 /nfs/dbraw/zinc/51/94/46/428519446.db2.gz NYGMNNQSYSOLJY-OAHLLOKOSA-N 2 1 321.431 2.678 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000398052116 428519458 /nfs/dbraw/zinc/51/94/58/428519458.db2.gz GHSNASDCFISWEH-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398052116 428519463 /nfs/dbraw/zinc/51/94/63/428519463.db2.gz GHSNASDCFISWEH-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398052116 428519468 /nfs/dbraw/zinc/51/94/68/428519468.db2.gz GHSNASDCFISWEH-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398052116 428519471 /nfs/dbraw/zinc/51/94/71/428519471.db2.gz GHSNASDCFISWEH-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000398052116 428519477 /nfs/dbraw/zinc/51/94/77/428519477.db2.gz GHSNASDCFISWEH-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051037 428519548 /nfs/dbraw/zinc/51/95/48/428519548.db2.gz XTFAGKAYQHCSMZ-GWFLUQINSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051037 428519552 /nfs/dbraw/zinc/51/95/52/428519552.db2.gz XTFAGKAYQHCSMZ-GWFLUQINSA-N 3 1 301.478 2.757 20 0 DFADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000398078306 428520091 /nfs/dbraw/zinc/52/00/91/428520091.db2.gz GDTVCJGKLXLZKT-RBUKOAKNSA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CCC[NH2+]CC1 ZINC000398078306 428520097 /nfs/dbraw/zinc/52/00/97/428520097.db2.gz GDTVCJGKLXLZKT-RBUKOAKNSA-N 2 1 303.494 2.875 20 0 DFADMP c1c(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)nc2ccccn12 ZINC000415104778 428521579 /nfs/dbraw/zinc/52/15/79/428521579.db2.gz LFPHGJXKJWNJGM-MJGOQNOKSA-N 2 1 320.440 2.960 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000353409262 428524591 /nfs/dbraw/zinc/52/45/91/428524591.db2.gz WEVRBGMBFVVXJC-XOKHGSTOSA-N 2 1 310.388 2.806 20 0 DFADMP CC[C@@H](C)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000357417744 428525485 /nfs/dbraw/zinc/52/54/85/428525485.db2.gz QOQWPUNKPUOUMN-QGZVFWFLSA-N 2 1 303.494 2.960 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)CCCO1 ZINC000415118526 428527494 /nfs/dbraw/zinc/52/74/94/428527494.db2.gz YJEPRZXSHDDBHW-GOSISDBHSA-N 2 1 304.434 2.558 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)CCCO1 ZINC000415118526 428527498 /nfs/dbraw/zinc/52/74/98/428527498.db2.gz YJEPRZXSHDDBHW-GOSISDBHSA-N 2 1 304.434 2.558 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000415123727 428528482 /nfs/dbraw/zinc/52/84/82/428528482.db2.gz JOKRTKNPTAONIW-OLZOCXBDSA-N 2 1 304.463 2.565 20 0 DFADMP Cc1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1C ZINC000415123316 428528513 /nfs/dbraw/zinc/52/85/13/428528513.db2.gz AROQSDFPUVOAOX-MSOLQXFVSA-N 2 1 300.446 2.504 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414955108 428471946 /nfs/dbraw/zinc/47/19/46/428471946.db2.gz UAZOILLMQWZPKZ-KXBFYZLASA-N 2 1 319.468 2.563 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414958772 428471979 /nfs/dbraw/zinc/47/19/79/428471979.db2.gz SJPFCDGTCPMLEK-LZWOXQAQSA-N 2 1 303.450 2.696 20 0 DFADMP COC[C@]1(C[NH2+]CCCc2c(F)cccc2Cl)CCC[NH2+]1 ZINC000414958218 428472229 /nfs/dbraw/zinc/47/22/29/428472229.db2.gz RDHLVNJKTAJIKJ-MRXNPFEDSA-N 2 1 314.832 2.770 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414953965 428472786 /nfs/dbraw/zinc/47/27/86/428472786.db2.gz MIDJBILHVNLGJD-FUHWJXTLSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390551561 428473878 /nfs/dbraw/zinc/47/38/78/428473878.db2.gz CQNYNUHPGGPHCA-QXAKKESOSA-N 2 1 301.478 2.771 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000347155774 428473978 /nfs/dbraw/zinc/47/39/78/428473978.db2.gz DDXLADRLOYCDQS-AWEZNQCLSA-N 2 1 314.433 2.517 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000347155774 428473983 /nfs/dbraw/zinc/47/39/83/428473983.db2.gz DDXLADRLOYCDQS-AWEZNQCLSA-N 2 1 314.433 2.517 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390566592 428474896 /nfs/dbraw/zinc/47/48/96/428474896.db2.gz AUMIQRYOOMUIGY-BPIHKTFHSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390566592 428474900 /nfs/dbraw/zinc/47/49/00/428474900.db2.gz AUMIQRYOOMUIGY-BPIHKTFHSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)c1ccccc1 ZINC000360889818 428479136 /nfs/dbraw/zinc/47/91/36/428479136.db2.gz VCTJAOAWJKFUJO-JQHSSLGASA-N 2 1 302.462 2.806 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)c1ccccc1 ZINC000360889818 428479139 /nfs/dbraw/zinc/47/91/39/428479139.db2.gz VCTJAOAWJKFUJO-JQHSSLGASA-N 2 1 302.462 2.806 20 0 DFADMP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000361612876 428583556 /nfs/dbraw/zinc/58/35/56/428583556.db2.gz XZUAIVVZESKPIZ-HZPDHXFCSA-N 2 1 309.498 2.665 20 0 DFADMP O=C(CCc1cnc[nH]1)NC1CC[NH+](CC2CCCCC2)CC1 ZINC000373469361 428584791 /nfs/dbraw/zinc/58/47/91/428584791.db2.gz NTFLKTHUDPZXBV-UHFFFAOYSA-N 2 1 318.465 2.503 20 0 DFADMP CC[NH+]1CCC(N(C)CC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000347300566 428534595 /nfs/dbraw/zinc/53/45/95/428534595.db2.gz NDUUDBPIDVXFIS-UHFFFAOYSA-N 2 1 307.457 2.674 20 0 DFADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000399060376 428534718 /nfs/dbraw/zinc/53/47/18/428534718.db2.gz LKNDLILOMVFGQQ-FPAYPSAMSA-N 2 1 301.478 2.770 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccsc1 ZINC000353449745 428539479 /nfs/dbraw/zinc/53/94/79/428539479.db2.gz SFWZOGTYMAJWSR-VVLHAWIVSA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400365882 428542728 /nfs/dbraw/zinc/54/27/28/428542728.db2.gz DZQUPNTVGNDDDB-SJLPKXTDSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400365882 428542732 /nfs/dbraw/zinc/54/27/32/428542732.db2.gz DZQUPNTVGNDDDB-SJLPKXTDSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400365883 428544133 /nfs/dbraw/zinc/54/41/33/428544133.db2.gz DZQUPNTVGNDDDB-WMZOPIPTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)[C@H]1CC[NH2+]C1 ZINC000400365883 428544136 /nfs/dbraw/zinc/54/41/36/428544136.db2.gz DZQUPNTVGNDDDB-WMZOPIPTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449035 428545648 /nfs/dbraw/zinc/54/56/48/428545648.db2.gz OFKKIHMHFFMLPG-GDBMZVCRSA-N 2 1 323.481 2.626 20 0 DFADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353456720 428546528 /nfs/dbraw/zinc/54/65/28/428546528.db2.gz WPOUYKPNPRDXNB-RCCFBDPRSA-N 2 1 304.434 2.536 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757506 428547860 /nfs/dbraw/zinc/54/78/60/428547860.db2.gz XKNSUWLPXPQQIJ-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757506 428547863 /nfs/dbraw/zinc/54/78/63/428547863.db2.gz XKNSUWLPXPQQIJ-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757506 428547866 /nfs/dbraw/zinc/54/78/66/428547866.db2.gz XKNSUWLPXPQQIJ-KCITZHQASA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757506 428547870 /nfs/dbraw/zinc/54/78/70/428547870.db2.gz XKNSUWLPXPQQIJ-KCITZHQASA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757512 428548803 /nfs/dbraw/zinc/54/88/03/428548803.db2.gz XKNSUWLPXPQQIJ-RNIPGJKVSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757512 428548808 /nfs/dbraw/zinc/54/88/08/428548808.db2.gz XKNSUWLPXPQQIJ-RNIPGJKVSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757512 428548812 /nfs/dbraw/zinc/54/88/12/428548812.db2.gz XKNSUWLPXPQQIJ-RNIPGJKVSA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757512 428548814 /nfs/dbraw/zinc/54/88/14/428548814.db2.gz XKNSUWLPXPQQIJ-RNIPGJKVSA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000400742105 428549299 /nfs/dbraw/zinc/54/92/99/428549299.db2.gz TWBWYKUCOLDXRF-FAJAVTLNSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCC[NH2+]1 ZINC000400742097 428549582 /nfs/dbraw/zinc/54/95/82/428549582.db2.gz TWBWYKUCOLDXRF-AXDKOMKPSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H](N)c2ccccc2)C1 ZINC000353475955 428554139 /nfs/dbraw/zinc/55/41/39/428554139.db2.gz YECJUSSOFNBDHU-LZQZEXGQSA-N 2 1 323.440 2.638 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000353475955 428554149 /nfs/dbraw/zinc/55/41/49/428554149.db2.gz YECJUSSOFNBDHU-LZQZEXGQSA-N 2 1 323.440 2.638 20 0 DFADMP FC(F)(F)C1CCC(C[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000373345063 428554441 /nfs/dbraw/zinc/55/44/41/428554441.db2.gz DHCZSAVHKNTHQA-WUCCLRPBSA-N 2 1 320.399 2.808 20 0 DFADMP FC(F)(F)C1CCC(C[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000373345063 428554445 /nfs/dbraw/zinc/55/44/45/428554445.db2.gz DHCZSAVHKNTHQA-WUCCLRPBSA-N 2 1 320.399 2.808 20 0 DFADMP Cc1nccn1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347348390 428558601 /nfs/dbraw/zinc/55/86/01/428558601.db2.gz XMMCTSWUPBQWHI-IHWFROFDSA-N 2 1 324.472 2.977 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)C1CC1 ZINC000353489943 428561479 /nfs/dbraw/zinc/56/14/79/428561479.db2.gz QKDBLTHIQFIBQZ-LZQZEXGQSA-N 2 1 302.462 2.505 20 0 DFADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC(C)(C)[NH3+] ZINC000404312083 428565836 /nfs/dbraw/zinc/56/58/36/428565836.db2.gz LYDMWZRGPKOCJW-HRCADAONSA-N 2 1 317.477 2.624 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccsc1C ZINC000353501456 428566602 /nfs/dbraw/zinc/56/66/02/428566602.db2.gz IPBVBBYQIUPSBV-KRWDZBQOSA-N 2 1 309.523 2.904 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@H]2CCF)C[C@H](C)O1 ZINC000353499996 428567744 /nfs/dbraw/zinc/56/77/44/428567744.db2.gz FDNAMLJGXDQHCV-VVLHAWIVSA-N 2 1 300.462 2.994 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)[C@H]1CC[NH3+] ZINC000404379141 428568415 /nfs/dbraw/zinc/56/84/15/428568415.db2.gz TUYKCSHOIWKUQH-DOMZBBRYSA-N 2 1 306.841 2.937 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)[C@H]1CC[NH3+] ZINC000404379141 428568420 /nfs/dbraw/zinc/56/84/20/428568420.db2.gz TUYKCSHOIWKUQH-DOMZBBRYSA-N 2 1 306.841 2.937 20 0 DFADMP CCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CCCCC1 ZINC000404371342 428569740 /nfs/dbraw/zinc/56/97/40/428569740.db2.gz QZSMXZPGERYQLI-WBVHZDCISA-N 2 1 309.498 2.617 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522962 428575899 /nfs/dbraw/zinc/57/58/99/428575899.db2.gz SZAZQMUDYZOOFA-ZWKOTPCHSA-N 2 1 317.477 2.623 20 0 DFADMP C[C@H](CC1CCOCC1)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358044813 428576729 /nfs/dbraw/zinc/57/67/29/428576729.db2.gz IFNCRWCMNSROTA-ZACQAIPSSA-N 2 1 312.498 2.671 20 0 DFADMP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000361802354 428598055 /nfs/dbraw/zinc/59/80/55/428598055.db2.gz BEZBPSXQGIMLEC-ZFWWWQNUSA-N 2 1 308.857 2.809 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000347532556 428599221 /nfs/dbraw/zinc/59/92/21/428599221.db2.gz UMRYHTHBJZSJNR-JKSUJKDBSA-N 2 1 311.514 2.781 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353576230 428602541 /nfs/dbraw/zinc/60/25/41/428602541.db2.gz MZIBPFIUFZSWFM-ZDUSSCGKSA-N 2 1 309.420 2.722 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000361965637 428607103 /nfs/dbraw/zinc/60/71/03/428607103.db2.gz IAPJOIFUBGIBMV-LCLWPZTBSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000361965637 428607110 /nfs/dbraw/zinc/60/71/10/428607110.db2.gz IAPJOIFUBGIBMV-LCLWPZTBSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000361965637 428607116 /nfs/dbraw/zinc/60/71/16/428607116.db2.gz IAPJOIFUBGIBMV-LCLWPZTBSA-N 2 1 315.505 2.827 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415907065 428622229 /nfs/dbraw/zinc/62/22/29/428622229.db2.gz ZNTVYPLPXCSGGX-CQSZACIVSA-N 2 1 306.454 2.648 20 0 DFADMP CC(C)c1cc(N(C)CCC[NH+]2CCCC2)nc(N(C)C)[nH+]1 ZINC000358659686 428623239 /nfs/dbraw/zinc/62/32/39/428623239.db2.gz FNRXKQMESMLSEB-UHFFFAOYSA-N 2 1 305.470 2.588 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000415902969 428623371 /nfs/dbraw/zinc/62/33/71/428623371.db2.gz PTTFPOLRMUWHNY-GJZGRUSLSA-N 2 1 318.465 2.648 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000415912167 428625334 /nfs/dbraw/zinc/62/53/34/428625334.db2.gz BKSWEKPVCBSJPV-KRWDZBQOSA-N 2 1 318.465 2.792 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353623177 428628931 /nfs/dbraw/zinc/62/89/31/428628931.db2.gz ODPVZIIVHPPAAA-SZMVWBNQSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353623177 428628937 /nfs/dbraw/zinc/62/89/37/428628937.db2.gz ODPVZIIVHPPAAA-SZMVWBNQSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353623177 428628943 /nfs/dbraw/zinc/62/89/43/428628943.db2.gz ODPVZIIVHPPAAA-SZMVWBNQSA-N 2 1 324.472 2.767 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000415934604 428631939 /nfs/dbraw/zinc/63/19/39/428631939.db2.gz RPBBBKFKZPMEAZ-HUUCEWRRSA-N 2 1 318.465 2.790 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000415945558 428632453 /nfs/dbraw/zinc/63/24/53/428632453.db2.gz RJSOJUKWJRYFNR-KRWDZBQOSA-N 2 1 318.465 2.744 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000415946192 428633626 /nfs/dbraw/zinc/63/36/26/428633626.db2.gz SZFMSDHMTOVFCH-ALOPSCKCSA-N 2 1 316.449 2.543 20 0 DFADMP COCC[N@H+]1[C@H](C)CN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000301778654 274035037 /nfs/dbraw/zinc/03/50/37/274035037.db2.gz QENIEUSXRTVSTA-OKILXGFUSA-N 2 1 317.408 2.919 20 0 DFADMP COCC[N@@H+]1[C@H](C)CN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000301778654 274035038 /nfs/dbraw/zinc/03/50/38/274035038.db2.gz QENIEUSXRTVSTA-OKILXGFUSA-N 2 1 317.408 2.919 20 0 DFADMP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348184470 428645537 /nfs/dbraw/zinc/64/55/37/428645537.db2.gz GSGRSMYEERAZHC-UHOSZYNNSA-N 2 1 324.472 2.698 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000274361857 274133947 /nfs/dbraw/zinc/13/39/47/274133947.db2.gz ILSBSDOJHHUUHS-VBQJREDUSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000274361857 274133948 /nfs/dbraw/zinc/13/39/48/274133948.db2.gz ILSBSDOJHHUUHS-VBQJREDUSA-N 2 1 302.418 2.735 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@H]1C ZINC000416000281 428646310 /nfs/dbraw/zinc/64/63/10/428646310.db2.gz WQZPERYIIFWAAT-CXAGYDPISA-N 2 1 316.449 2.626 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@@H](c2ccco2)[NH+](C)C)CCCCC1 ZINC000358734486 428649485 /nfs/dbraw/zinc/64/94/85/428649485.db2.gz OVNNTXJAOSVHOR-HNNXBMFYSA-N 2 1 321.465 2.511 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000416015833 428649623 /nfs/dbraw/zinc/64/96/23/428649623.db2.gz ULINXMLVVFYSIR-UHFFFAOYSA-N 2 1 318.465 2.650 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@@H+](C)[C@@H]1c1ccnn1C ZINC000344462724 428651927 /nfs/dbraw/zinc/65/19/27/428651927.db2.gz VQSCBTPHAIIPDU-YJBOKZPZSA-N 2 1 313.449 2.643 20 0 DFADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCC1 ZINC000373896849 428654009 /nfs/dbraw/zinc/65/40/09/428654009.db2.gz HZFQZJCWOFZUGX-BZUAXINKSA-N 2 1 312.523 2.751 20 0 DFADMP C[C@@H](C(=O)N1CCCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074865 428662436 /nfs/dbraw/zinc/66/24/36/428662436.db2.gz NYXIXQSPWHKVJX-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000319321628 274334769 /nfs/dbraw/zinc/33/47/69/274334769.db2.gz ZSLQIGGOGJAIGZ-DOMZBBRYSA-N 2 1 324.852 2.931 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000319321628 274334772 /nfs/dbraw/zinc/33/47/72/274334772.db2.gz ZSLQIGGOGJAIGZ-DOMZBBRYSA-N 2 1 324.852 2.931 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@@H+]1C1CCN(C)CC1 ZINC000374253978 428671101 /nfs/dbraw/zinc/67/11/01/428671101.db2.gz CIZXDSIQALYMLG-INIZCTEOSA-N 2 1 324.472 2.840 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3ccccc32)CC[N@H+]1C1CCN(C)CC1 ZINC000374253978 428671107 /nfs/dbraw/zinc/67/11/07/428671107.db2.gz CIZXDSIQALYMLG-INIZCTEOSA-N 2 1 324.472 2.840 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416233976 428696237 /nfs/dbraw/zinc/69/62/37/428696237.db2.gz LJFYASYQIVXQMW-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416241671 428698535 /nfs/dbraw/zinc/69/85/35/428698535.db2.gz DLSKDTMNXUUNJY-QZTJIDSGSA-N 2 1 317.477 2.621 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000348315345 428705154 /nfs/dbraw/zinc/70/51/54/428705154.db2.gz ITOFRRGFWQDWFV-AFYVEPGGSA-N 2 1 314.473 2.865 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2(F)CCC2)[C@H](C)C1 ZINC000348326288 428706923 /nfs/dbraw/zinc/70/69/23/428706923.db2.gz MMQFGGQWEZKCEJ-HZPDHXFCSA-N 2 1 300.462 2.995 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1 ZINC000416302650 428710919 /nfs/dbraw/zinc/71/09/19/428710919.db2.gz PHXBNWVMBJBVCF-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348374966 428724201 /nfs/dbraw/zinc/72/42/01/428724201.db2.gz GTXKZSZFRLWEMH-MCIONIFRSA-N 2 1 308.388 2.806 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348374966 428724203 /nfs/dbraw/zinc/72/42/03/428724203.db2.gz GTXKZSZFRLWEMH-MCIONIFRSA-N 2 1 308.388 2.806 20 0 DFADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000348385929 428727988 /nfs/dbraw/zinc/72/79/88/428727988.db2.gz WWVDWFRIFPKNHE-ATZDWAIDSA-N 2 1 302.462 2.922 20 0 DFADMP CCOC(=O)[C@H]1CCCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000362400172 428732193 /nfs/dbraw/zinc/73/21/93/428732193.db2.gz FIKNKMXFBGHDNQ-MRXNPFEDSA-N 2 1 307.438 2.779 20 0 DFADMP CCOC(=O)[C@H]1CCCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000362400172 428732199 /nfs/dbraw/zinc/73/21/99/428732199.db2.gz FIKNKMXFBGHDNQ-MRXNPFEDSA-N 2 1 307.438 2.779 20 0 DFADMP CC[N@@H+](CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000416155447 428679175 /nfs/dbraw/zinc/67/91/75/428679175.db2.gz DGSLQYBBNIMFMI-KRWDZBQOSA-N 2 1 305.466 2.526 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416184250 428686453 /nfs/dbraw/zinc/68/64/53/428686453.db2.gz NIJBSGRSWZGRRI-XYJFISCASA-N 2 1 317.477 2.621 20 0 DFADMP Cc1nccc(N2CCN(CCc3ccc(Cl)cc3)CC2)n1 ZINC000362284067 428686911 /nfs/dbraw/zinc/68/69/11/428686911.db2.gz KTKLUPUVYQEORF-UHFFFAOYSA-N 2 1 316.836 2.803 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@@H]1C ZINC000353750380 428692140 /nfs/dbraw/zinc/69/21/40/428692140.db2.gz NYSSLOXFKIHEOZ-ZFWWWQNUSA-N 2 1 320.433 2.729 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@@H]1C ZINC000353750380 428692142 /nfs/dbraw/zinc/69/21/42/428692142.db2.gz NYSSLOXFKIHEOZ-ZFWWWQNUSA-N 2 1 320.433 2.729 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@@H]1C ZINC000353750380 428692147 /nfs/dbraw/zinc/69/21/47/428692147.db2.gz NYSSLOXFKIHEOZ-ZFWWWQNUSA-N 2 1 320.433 2.729 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@@H]1C ZINC000353750380 428692149 /nfs/dbraw/zinc/69/21/49/428692149.db2.gz NYSSLOXFKIHEOZ-ZFWWWQNUSA-N 2 1 320.433 2.729 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000353750900 428695042 /nfs/dbraw/zinc/69/50/42/428695042.db2.gz OSCCCRCYOVQIHS-YOEHRIQHSA-N 2 1 313.449 2.776 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000353750900 428695044 /nfs/dbraw/zinc/69/50/44/428695044.db2.gz OSCCCRCYOVQIHS-YOEHRIQHSA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000353750900 428695049 /nfs/dbraw/zinc/69/50/49/428695049.db2.gz OSCCCRCYOVQIHS-YOEHRIQHSA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000353750900 428695053 /nfs/dbraw/zinc/69/50/53/428695053.db2.gz OSCCCRCYOVQIHS-YOEHRIQHSA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000362485916 428766501 /nfs/dbraw/zinc/76/65/01/428766501.db2.gz HPFXFPNDBPSLGS-MRXNPFEDSA-N 2 1 321.509 2.584 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000353915736 428775254 /nfs/dbraw/zinc/77/52/54/428775254.db2.gz OCAFIVWONODFJB-KSTDHSDQSA-N 2 1 308.466 2.572 20 0 DFADMP OCC[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411308996 428775567 /nfs/dbraw/zinc/77/55/67/428775567.db2.gz JAOQDGGPVCSDOL-IBGZPJMESA-N 2 1 302.462 2.877 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN(C)C[C@@H]3CCC[C@H]3O)sc2C1 ZINC000374907212 428781008 /nfs/dbraw/zinc/78/10/08/428781008.db2.gz DTYZUQNSPXLAJZ-DZGCQCFKSA-N 2 1 323.506 2.502 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000362400188 428734665 /nfs/dbraw/zinc/73/46/65/428734665.db2.gz FQJDYSASXJRPEC-IAGOWNOFSA-N 2 1 302.466 2.751 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000362400188 428734674 /nfs/dbraw/zinc/73/46/74/428734674.db2.gz FQJDYSASXJRPEC-IAGOWNOFSA-N 2 1 302.466 2.751 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000362400188 428734678 /nfs/dbraw/zinc/73/46/78/428734678.db2.gz FQJDYSASXJRPEC-IAGOWNOFSA-N 2 1 302.466 2.751 20 0 DFADMP C[C@H]([NH2+][C@H](CO)CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348443522 428745579 /nfs/dbraw/zinc/74/55/79/428745579.db2.gz XNUXENYAVZGKSU-BPUTZDHNSA-N 2 1 312.404 2.503 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCCOC)cc2)[C@@H](C)C1 ZINC000353851803 428746854 /nfs/dbraw/zinc/74/68/54/428746854.db2.gz ANJJFNNUFSXSDK-LPHOPBHVSA-N 2 1 320.477 2.922 20 0 DFADMP CCNC(=O)C[N@H+](CC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411147537 428748801 /nfs/dbraw/zinc/74/88/01/428748801.db2.gz PBTQLTCEQLEYFI-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP CCNC(=O)C[N@@H+](CC)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411147537 428748806 /nfs/dbraw/zinc/74/88/06/428748806.db2.gz PBTQLTCEQLEYFI-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000353856240 428749885 /nfs/dbraw/zinc/74/98/85/428749885.db2.gz VWNAKZQROPVBBR-FGTMMUONSA-N 2 1 321.509 2.582 20 0 DFADMP CCCC[N@@H+](CC(N)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411171410 428751175 /nfs/dbraw/zinc/75/11/75/428751175.db2.gz DMIQRVIXYUPSQM-UHFFFAOYSA-N 2 1 317.477 2.760 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358966199 428751537 /nfs/dbraw/zinc/75/15/37/428751537.db2.gz ODHMMGTZIGANIC-RDJZCZTQSA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358966199 428751544 /nfs/dbraw/zinc/75/15/44/428751544.db2.gz ODHMMGTZIGANIC-RDJZCZTQSA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000362624087 428794807 /nfs/dbraw/zinc/79/48/07/428794807.db2.gz QXUIGHBQFVFYSC-FUHWJXTLSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H](O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411500036 428808433 /nfs/dbraw/zinc/80/84/33/428808433.db2.gz SAWHBKUKCGMVGV-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cnc3cccc(C)n23)C1 ZINC000354009083 428817290 /nfs/dbraw/zinc/81/72/90/428817290.db2.gz KTQBBSIYTZZSNY-INIZCTEOSA-N 2 1 300.450 2.806 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000411632129 428826886 /nfs/dbraw/zinc/82/68/86/428826886.db2.gz OTUNGCZOBVWMBN-INIZCTEOSA-N 2 1 320.481 2.559 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCCC[C@@H]1C ZINC000411632129 428826893 /nfs/dbraw/zinc/82/68/93/428826893.db2.gz OTUNGCZOBVWMBN-INIZCTEOSA-N 2 1 320.481 2.559 20 0 DFADMP COCCn1cc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)cn1 ZINC000359143824 428837150 /nfs/dbraw/zinc/83/71/50/428837150.db2.gz NVXHYIKHPKOPIJ-UHFFFAOYSA-N 2 1 322.497 2.664 20 0 DFADMP CCc1nc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)cs1 ZINC000349059126 428908864 /nfs/dbraw/zinc/90/88/64/428908864.db2.gz BJQATLQZBOHZGG-INIZCTEOSA-N 2 1 324.538 2.553 20 0 DFADMP CCc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000375345072 428859540 /nfs/dbraw/zinc/85/95/40/428859540.db2.gz KVFCSBYMBLBCTF-CEXWTWQISA-N 2 1 302.462 2.933 20 0 DFADMP CCOC(=O)c1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000354101256 428863337 /nfs/dbraw/zinc/86/33/37/428863337.db2.gz RMNKNCREUCYRNF-HNNXBMFYSA-N 2 1 320.433 2.620 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(COC)c2)C1 ZINC000354108286 428864986 /nfs/dbraw/zinc/86/49/86/428864986.db2.gz UMVMEYFDAQOATC-LJQANCHMSA-N 2 1 320.477 2.766 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)n1 ZINC000359210409 428865925 /nfs/dbraw/zinc/86/59/25/428865925.db2.gz BYWRERITNAPNPB-KRWDZBQOSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)[nH+]1 ZINC000359210409 428865929 /nfs/dbraw/zinc/86/59/29/428865929.db2.gz BYWRERITNAPNPB-KRWDZBQOSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC3CC[NH2+]CC3)C2)[nH+]1 ZINC000359210409 428865935 /nfs/dbraw/zinc/86/59/35/428865935.db2.gz BYWRERITNAPNPB-KRWDZBQOSA-N 3 1 302.466 2.514 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213087 428866064 /nfs/dbraw/zinc/86/60/64/428866064.db2.gz GYZLKCZXOASWEP-LJQANCHMSA-N 3 1 307.526 2.820 20 0 DFADMP COC(=O)[C@]12C[N@H+](CCCCn3cc[nH+]c3C)C[C@H]1CCCC2 ZINC000375397730 428872035 /nfs/dbraw/zinc/87/20/35/428872035.db2.gz OVOKMKHKSBUTQW-SJLPKXTDSA-N 2 1 319.449 2.637 20 0 DFADMP COC(=O)[C@]12C[N@@H+](CCCCn3cc[nH+]c3C)C[C@H]1CCCC2 ZINC000375397730 428872037 /nfs/dbraw/zinc/87/20/37/428872037.db2.gz OVOKMKHKSBUTQW-SJLPKXTDSA-N 2 1 319.449 2.637 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000411876506 428876396 /nfs/dbraw/zinc/87/63/96/428876396.db2.gz PTSGWUFWWVMHPQ-UHFFFAOYSA-N 2 1 321.440 2.927 20 0 DFADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000359229819 428877621 /nfs/dbraw/zinc/87/76/21/428877621.db2.gz ZLBSROOEQIBEPZ-RDTXWAMCSA-N 2 1 306.425 2.977 20 0 DFADMP CCn1cncc1C[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000418136632 428884742 /nfs/dbraw/zinc/88/47/42/428884742.db2.gz CASODFLIWVBXQH-OAHLLOKOSA-N 2 1 300.406 2.650 20 0 DFADMP CCn1cncc1CN1CCC[C@@H]1COc1cccnc1C ZINC000418136632 428884747 /nfs/dbraw/zinc/88/47/47/428884747.db2.gz CASODFLIWVBXQH-OAHLLOKOSA-N 2 1 300.406 2.650 20 0 DFADMP CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375460889 428889437 /nfs/dbraw/zinc/88/94/37/428889437.db2.gz QIAFWFHAKVAEEO-CGTJXYLNSA-N 2 1 317.477 2.574 20 0 DFADMP CCCNC(=O)[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375460889 428889441 /nfs/dbraw/zinc/88/94/41/428889441.db2.gz QIAFWFHAKVAEEO-CGTJXYLNSA-N 2 1 317.477 2.574 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]CCCn2ccnc2)[C@H]1c1ccccc1 ZINC000375487511 428898070 /nfs/dbraw/zinc/89/80/70/428898070.db2.gz QQMCAMVQSSSGNB-RTBURBONSA-N 2 1 312.461 2.946 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C(C)(C)C)n1 ZINC000354177213 428900477 /nfs/dbraw/zinc/90/04/77/428900477.db2.gz ONSCNEXESZWEKC-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C(C)(C)C)n1 ZINC000354177213 428900479 /nfs/dbraw/zinc/90/04/79/428900479.db2.gz ONSCNEXESZWEKC-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C(C)(C)C)n1 ZINC000354177213 428900486 /nfs/dbraw/zinc/90/04/86/428900486.db2.gz ONSCNEXESZWEKC-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP Cn1cc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C(C)(C)C)n1 ZINC000354177213 428900490 /nfs/dbraw/zinc/90/04/90/428900490.db2.gz ONSCNEXESZWEKC-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+](CCC[NH3+])Cc1ccccc1 ZINC000359315295 428915642 /nfs/dbraw/zinc/91/56/42/428915642.db2.gz WCYQOLYWXMNHDK-UHFFFAOYSA-N 2 1 308.429 2.994 20 0 DFADMP Cc1nc2ccccn2c1C[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359315295 428915648 /nfs/dbraw/zinc/91/56/48/428915648.db2.gz WCYQOLYWXMNHDK-UHFFFAOYSA-N 2 1 308.429 2.994 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363444811 428917067 /nfs/dbraw/zinc/91/70/67/428917067.db2.gz XMIMVBSYBYITJW-CVEARBPZSA-N 2 1 304.482 2.971 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363444811 428917069 /nfs/dbraw/zinc/91/70/69/428917069.db2.gz XMIMVBSYBYITJW-CVEARBPZSA-N 2 1 304.482 2.971 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)COC(C)C)CC2)oc1C ZINC000375591539 428917243 /nfs/dbraw/zinc/91/72/43/428917243.db2.gz NRFWATWJPDZLKZ-AWEZNQCLSA-N 2 1 323.481 2.907 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000363450946 428917263 /nfs/dbraw/zinc/91/72/63/428917263.db2.gz UZARNVKZXZKXPN-JKSUJKDBSA-N 2 1 318.465 2.653 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000363450946 428917269 /nfs/dbraw/zinc/91/72/69/428917269.db2.gz UZARNVKZXZKXPN-JKSUJKDBSA-N 2 1 318.465 2.653 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000349091629 428918847 /nfs/dbraw/zinc/91/88/47/428918847.db2.gz YSIVRRPROGTXKJ-SJORKVTESA-N 2 1 311.514 2.734 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222006 428923069 /nfs/dbraw/zinc/92/30/69/428923069.db2.gz IGHKKKFCAOQOOX-PBHICJAKSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222006 428923070 /nfs/dbraw/zinc/92/30/70/428923070.db2.gz IGHKKKFCAOQOOX-PBHICJAKSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)C[C@H]1C ZINC000354222006 428923076 /nfs/dbraw/zinc/92/30/76/428923076.db2.gz IGHKKKFCAOQOOX-PBHICJAKSA-N 2 1 321.440 2.959 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000349117044 428924897 /nfs/dbraw/zinc/92/48/97/428924897.db2.gz JDLCVQAQLZPDEG-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000349117044 428924900 /nfs/dbraw/zinc/92/49/00/428924900.db2.gz JDLCVQAQLZPDEG-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000349117044 428924902 /nfs/dbraw/zinc/92/49/02/428924902.db2.gz JDLCVQAQLZPDEG-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000349115839 428924960 /nfs/dbraw/zinc/92/49/60/428924960.db2.gz DZISJCGOOBIXAO-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349115839 428924966 /nfs/dbraw/zinc/92/49/66/428924966.db2.gz DZISJCGOOBIXAO-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349115839 428924974 /nfs/dbraw/zinc/92/49/74/428924974.db2.gz DZISJCGOOBIXAO-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000349141977 428926504 /nfs/dbraw/zinc/92/65/04/428926504.db2.gz GOWOAJRCGJYMRA-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000349141973 428926754 /nfs/dbraw/zinc/92/67/54/428926754.db2.gz GOCJXSKXYWGOQH-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000363480354 428926825 /nfs/dbraw/zinc/92/68/25/428926825.db2.gz XIZSPMWSTLYNSC-IRXDYDNUSA-N 2 1 304.482 2.955 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000363480354 428926833 /nfs/dbraw/zinc/92/68/33/428926833.db2.gz XIZSPMWSTLYNSC-IRXDYDNUSA-N 2 1 304.482 2.955 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000363480354 428926835 /nfs/dbraw/zinc/92/68/35/428926835.db2.gz XIZSPMWSTLYNSC-IRXDYDNUSA-N 2 1 304.482 2.955 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000349147415 428930611 /nfs/dbraw/zinc/93/06/11/428930611.db2.gz XTLIIYIZCLGORM-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000349147415 428930614 /nfs/dbraw/zinc/93/06/14/428930614.db2.gz XTLIIYIZCLGORM-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000349147415 428930619 /nfs/dbraw/zinc/93/06/19/428930619.db2.gz XTLIIYIZCLGORM-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)CC1 ZINC000349157590 428932519 /nfs/dbraw/zinc/93/25/19/428932519.db2.gz ZATMBSCTADGVQE-LBPRGKRZSA-N 2 1 316.371 2.592 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cc(C(F)(F)F)n[nH]3)C2)CC1 ZINC000349157590 428932524 /nfs/dbraw/zinc/93/25/24/428932524.db2.gz ZATMBSCTADGVQE-LBPRGKRZSA-N 2 1 316.371 2.592 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCN1C ZINC000363504371 428932870 /nfs/dbraw/zinc/93/28/70/428932870.db2.gz PRVJJAQOSNGXBB-QZTJIDSGSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1ccccc1NC(=O)CCN1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000363504371 428932874 /nfs/dbraw/zinc/93/28/74/428932874.db2.gz PRVJJAQOSNGXBB-QZTJIDSGSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1ccccc1NC(=O)CCN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000363504371 428932878 /nfs/dbraw/zinc/93/28/78/428932878.db2.gz PRVJJAQOSNGXBB-QZTJIDSGSA-N 2 1 315.461 2.882 20 0 DFADMP CCn1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375674785 428940098 /nfs/dbraw/zinc/94/00/98/428940098.db2.gz JNQMCLLWLCWPKM-GOSISDBHSA-N 2 1 304.482 2.643 20 0 DFADMP CCn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375674785 428940104 /nfs/dbraw/zinc/94/01/04/428940104.db2.gz JNQMCLLWLCWPKM-GOSISDBHSA-N 2 1 304.482 2.643 20 0 DFADMP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000363572904 428944173 /nfs/dbraw/zinc/94/41/73/428944173.db2.gz KXXUILVPPDCKJD-YSIASYRMSA-N 2 1 324.472 2.772 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000363572904 428944185 /nfs/dbraw/zinc/94/41/85/428944185.db2.gz KXXUILVPPDCKJD-YSIASYRMSA-N 2 1 324.472 2.772 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@H]2C1 ZINC000363572904 428944190 /nfs/dbraw/zinc/94/41/90/428944190.db2.gz KXXUILVPPDCKJD-YSIASYRMSA-N 2 1 324.472 2.772 20 0 DFADMP Cc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000363605335 428953295 /nfs/dbraw/zinc/95/32/95/428953295.db2.gz DMZOJPPDBYNMMT-CYBMUJFWSA-N 2 1 307.344 2.898 20 0 DFADMP Nc1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314874 428957408 /nfs/dbraw/zinc/95/74/08/428957408.db2.gz RBMWCIZJXSZDAL-OALUTQOASA-N 2 1 324.472 2.836 20 0 DFADMP CN(CC(=O)NC1CCCCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375743066 428958627 /nfs/dbraw/zinc/95/86/27/428958627.db2.gz MTPODAZMSLIXPK-JWTNVVGKSA-N 2 1 321.509 2.773 20 0 DFADMP C[N@H+](C/C=C\c1ccc(F)cc1F)CCCN1CC[NH+](C)CC1 ZINC000349334650 428964740 /nfs/dbraw/zinc/96/47/40/428964740.db2.gz SRDKYMMVIAJUCA-HYXAFXHYSA-N 2 1 323.431 2.547 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451943231 429023694 /nfs/dbraw/zinc/02/36/94/429023694.db2.gz VLYQXXVPLNSVDJ-UHFFFAOYSA-N 2 1 313.445 2.963 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OCCOC(C)C)CC1 ZINC000451950983 429023888 /nfs/dbraw/zinc/02/38/88/429023888.db2.gz JPXJQMFSJWYNJB-UHFFFAOYSA-N 2 1 323.481 2.878 20 0 DFADMP CN(CC[N@H+]1CCOC(C)(C)C1)c1cc[nH+]c2cc(F)ccc21 ZINC000432947319 428974909 /nfs/dbraw/zinc/97/49/09/428974909.db2.gz ZUSXNOGUMDQKAY-UHFFFAOYSA-N 2 1 317.408 2.921 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423572738 428976111 /nfs/dbraw/zinc/97/61/11/428976111.db2.gz YPUPNIWQTOAXNI-AWEZNQCLSA-N 2 1 320.433 2.874 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CCO[C@@H]1c1ccnn1C ZINC000349386335 428977940 /nfs/dbraw/zinc/97/79/40/428977940.db2.gz RSQOVUSATLVZND-WMZOPIPTSA-N 2 1 322.497 2.552 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@@H]2CCC[C@H]21 ZINC000375801277 428978848 /nfs/dbraw/zinc/97/88/48/428978848.db2.gz IPGCTDXWYHCGTI-YESZJQIVSA-N 2 1 302.466 2.736 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccc(O)c1 ZINC000363781139 428990009 /nfs/dbraw/zinc/99/00/09/428990009.db2.gz HZTDZANCPLEEHH-WTLGNFPFSA-N 2 1 318.461 2.932 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccc(O)c1 ZINC000363781139 428990016 /nfs/dbraw/zinc/99/00/16/428990016.db2.gz HZTDZANCPLEEHH-WTLGNFPFSA-N 2 1 318.461 2.932 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CCC2)[C@H](C)C1 ZINC000433093686 428994109 /nfs/dbraw/zinc/99/41/09/428994109.db2.gz RQIDGWDTUBUWCS-HZPDHXFCSA-N 2 1 314.539 2.999 20 0 DFADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000354558831 428997541 /nfs/dbraw/zinc/99/75/41/428997541.db2.gz AOCYXAUAYBQBJM-ZWKOTPCHSA-N 2 1 324.509 2.816 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000363816320 428997909 /nfs/dbraw/zinc/99/79/09/428997909.db2.gz DFQQYWCLSODBCQ-ABHNRTSZSA-N 2 1 321.509 2.820 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@H]2CC[N@H+](C3CCCCCC3)C2)CC1 ZINC000363816320 428997914 /nfs/dbraw/zinc/99/79/14/428997914.db2.gz DFQQYWCLSODBCQ-ABHNRTSZSA-N 2 1 321.509 2.820 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000375868826 429000943 /nfs/dbraw/zinc/00/09/43/429000943.db2.gz HAIWKCDTHTUCSA-ROUUACIJSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000375868826 429000950 /nfs/dbraw/zinc/00/09/50/429000950.db2.gz HAIWKCDTHTUCSA-ROUUACIJSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000375868826 429000956 /nfs/dbraw/zinc/00/09/56/429000956.db2.gz HAIWKCDTHTUCSA-ROUUACIJSA-N 2 1 316.493 2.998 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@@H]2CCC[C@@H]21 ZINC000375859858 429001684 /nfs/dbraw/zinc/00/16/84/429001684.db2.gz FTGAVHVSFNHVTA-BZSNNMDCSA-N 2 1 300.446 2.626 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000423724606 429005064 /nfs/dbraw/zinc/00/50/64/429005064.db2.gz HBPZGBHROYGWHL-XDNAFOTISA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000423721062 429005147 /nfs/dbraw/zinc/00/51/47/429005147.db2.gz BKEGRIRVKWPCHK-CWQOZTLDSA-N 2 1 321.509 2.758 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000423725426 429005830 /nfs/dbraw/zinc/00/58/30/429005830.db2.gz IWIMFHYVGLJOMF-HNAYVOBHSA-N 2 1 323.440 2.835 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2c2ccccc2)cc1 ZINC000423725426 429005833 /nfs/dbraw/zinc/00/58/33/429005833.db2.gz IWIMFHYVGLJOMF-HNAYVOBHSA-N 2 1 323.440 2.835 20 0 DFADMP Cc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891535 429007229 /nfs/dbraw/zinc/00/72/29/429007229.db2.gz RFICSMWGBJUHRA-LJQANCHMSA-N 2 1 301.478 2.595 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000375888013 429009270 /nfs/dbraw/zinc/00/92/70/429009270.db2.gz FJILGLKWHYLUJR-VQIMIIECSA-N 2 1 319.468 2.987 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c(OC)c1 ZINC000423464074 429091907 /nfs/dbraw/zinc/09/19/07/429091907.db2.gz BCPDUKOMHYUNIM-RYUDHWBXSA-N 2 1 314.376 2.599 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423475722 429094049 /nfs/dbraw/zinc/09/40/49/429094049.db2.gz RYUHVCDSQBZRQE-DZGCQCFKSA-N 2 1 306.454 2.948 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000423847313 429035750 /nfs/dbraw/zinc/03/57/50/429035750.db2.gz PZQOQFPVSBJWPU-AYBZRNKSSA-N 2 1 317.477 2.531 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000355232869 429036215 /nfs/dbraw/zinc/03/62/15/429036215.db2.gz HJXUQNZMEHHWKU-FGTMMUONSA-N 2 1 317.477 2.715 20 0 DFADMP C[C@@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000452005811 429036877 /nfs/dbraw/zinc/03/68/77/429036877.db2.gz KMCCIQXJGXYZOH-WBVHZDCISA-N 2 1 317.477 2.668 20 0 DFADMP COC[C@@H]1CCCC[NH+]1C/C=C\C[N@@H+]1CCCC[C@H]1COC ZINC000452043298 429043007 /nfs/dbraw/zinc/04/30/07/429043007.db2.gz VFDNMLLJHVKAOM-OPDSQHBBSA-N 2 1 310.482 2.544 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000423311467 429060659 /nfs/dbraw/zinc/06/06/59/429060659.db2.gz TYPGOKBXRMQDNK-CABCVRRESA-N 2 1 303.450 2.701 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423306558 429061329 /nfs/dbraw/zinc/06/13/29/429061329.db2.gz LTZBMNTYPXBVMT-BTHPGYMESA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423306558 429061333 /nfs/dbraw/zinc/06/13/33/429061333.db2.gz LTZBMNTYPXBVMT-BTHPGYMESA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423306558 429061336 /nfs/dbraw/zinc/06/13/36/429061336.db2.gz LTZBMNTYPXBVMT-BTHPGYMESA-N 2 1 315.505 2.862 20 0 DFADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000423319604 429061783 /nfs/dbraw/zinc/06/17/83/429061783.db2.gz LTMVFRDIJRTSBN-KGLIPLIRSA-N 2 1 313.214 2.902 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1)C(C)C ZINC000423947891 429062131 /nfs/dbraw/zinc/06/21/31/429062131.db2.gz LFHVKDHOGOAPHC-SFHVURJKSA-N 2 1 317.477 2.726 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423321050 429062200 /nfs/dbraw/zinc/06/22/00/429062200.db2.gz FXMSKWXDGPDQMQ-HZPDHXFCSA-N 2 1 309.498 2.535 20 0 DFADMP [NH3+][C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423322142 429062587 /nfs/dbraw/zinc/06/25/87/429062587.db2.gz NQPHQMURZRHOHP-MTQWCTHYSA-N 2 1 313.489 2.614 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119524 429064144 /nfs/dbraw/zinc/06/41/44/429064144.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 2 1 321.431 2.819 20 0 DFADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119524 429064149 /nfs/dbraw/zinc/06/41/49/429064149.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 2 1 321.431 2.819 20 0 DFADMP C[NH+](CC[C@H]1CCC[N@H+]1C)C1CCN(CCC(F)(F)F)CC1 ZINC000452119524 429064152 /nfs/dbraw/zinc/06/41/52/429064152.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 2 1 321.431 2.819 20 0 DFADMP CN(CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452119524 429064155 /nfs/dbraw/zinc/06/41/55/429064155.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 2 1 321.431 2.819 20 0 DFADMP CN(CC[C@H]1CCC[N@H+]1C)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000452119524 429064157 /nfs/dbraw/zinc/06/41/57/429064157.db2.gz QGOXRLDBSXZEKR-CQSZACIVSA-N 2 1 321.431 2.819 20 0 DFADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CCC1 ZINC000423324111 429065051 /nfs/dbraw/zinc/06/50/51/429065051.db2.gz IIOJJDVUXIVVLZ-QRVBRYPASA-N 2 1 313.489 2.901 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423326606 429066407 /nfs/dbraw/zinc/06/64/07/429066407.db2.gz CPXBDYIVODHUHR-ACJLOTCBSA-N 2 1 319.449 2.694 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)C1 ZINC000423341356 429066817 /nfs/dbraw/zinc/06/68/17/429066817.db2.gz UFSFLZBROHOUDQ-KDOFPFPSSA-N 2 1 315.461 2.984 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000423340679 429067916 /nfs/dbraw/zinc/06/79/16/429067916.db2.gz SXOAIWHDEMEQQZ-OGWOLHLISA-N 2 1 313.445 2.752 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000423345282 429070099 /nfs/dbraw/zinc/07/00/99/429070099.db2.gz YNTMWWGCWOJWIX-YVEFUNNKSA-N 2 1 310.413 2.883 20 0 DFADMP C[C@@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000423343726 429070514 /nfs/dbraw/zinc/07/05/14/429070514.db2.gz XDKJXSABGZSVPN-HLLBOEOZSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncnc(N)c2Cl)C1 ZINC000434098990 429070648 /nfs/dbraw/zinc/07/06/48/429070648.db2.gz GLAOQYTXTISOGZ-WCQYABFASA-N 2 1 317.824 2.960 20 0 DFADMP C[C@@H](c1ccccc1)N1CC[C@@H](Nc2ncnc(N)c2Cl)C1 ZINC000434098990 429070656 /nfs/dbraw/zinc/07/06/56/429070656.db2.gz GLAOQYTXTISOGZ-WCQYABFASA-N 2 1 317.824 2.960 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000452149730 429070898 /nfs/dbraw/zinc/07/08/98/429070898.db2.gz MVAXSCKANTUUJR-KRWDZBQOSA-N 2 1 309.498 2.633 20 0 DFADMP CC(C)[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[C@H](C)[NH3+] ZINC000423356373 429071616 /nfs/dbraw/zinc/07/16/16/429071616.db2.gz GPVDULMDGMCADP-YJBOKZPZSA-N 2 1 319.493 2.762 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000423356586 429071937 /nfs/dbraw/zinc/07/19/37/429071937.db2.gz QUOLGFUSELQEFH-OAHLLOKOSA-N 2 1 311.429 2.568 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2=CC[NH2+]CC2)CC1 ZINC000423354727 429072058 /nfs/dbraw/zinc/07/20/58/429072058.db2.gz NYGRIXIVCJXYSF-UHFFFAOYSA-N 3 1 313.489 2.939 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423363736 429072118 /nfs/dbraw/zinc/07/21/18/429072118.db2.gz VCWHTZHGGVUARV-SJORKVTESA-N 2 1 309.498 2.521 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423372170 429074451 /nfs/dbraw/zinc/07/44/51/429074451.db2.gz GVVUETDYWNLLNQ-MRXNPFEDSA-N 2 1 305.466 2.561 20 0 DFADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000423379321 429077878 /nfs/dbraw/zinc/07/78/78/429077878.db2.gz XDDDUQAMXLOADM-SFHVURJKSA-N 2 1 321.509 2.761 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000423382248 429077917 /nfs/dbraw/zinc/07/79/17/429077917.db2.gz OTGUPKBTVWHJKK-ISARSNTHSA-N 2 1 301.478 2.627 20 0 DFADMP C[NH2+][C@@H](C)C[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423398046 429081027 /nfs/dbraw/zinc/08/10/27/429081027.db2.gz SVXYYMFVBMDVEW-XHDPSFHLSA-N 2 1 311.267 2.968 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CCC[NH2+][C@H]2C)CCC[N@H+]1Cc1ccccc1 ZINC000423398732 429081112 /nfs/dbraw/zinc/08/11/12/429081112.db2.gz VIKHUJOUVGAQKS-OGWHTMIXSA-N 2 1 301.478 2.770 20 0 DFADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423419294 429085146 /nfs/dbraw/zinc/08/51/46/429085146.db2.gz VOYQBPHXOFKBOD-ROUUACIJSA-N 2 1 321.509 2.665 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+]1CCCCC1 ZINC000434443448 429086616 /nfs/dbraw/zinc/08/66/16/429086616.db2.gz YUZGSBKPJGZKBZ-MSOLQXFVSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423440138 429088722 /nfs/dbraw/zinc/08/87/22/429088722.db2.gz APJSXUKXRDXOKT-PELKAZGASA-N 2 1 301.203 2.902 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695855 429144392 /nfs/dbraw/zinc/14/43/92/429144392.db2.gz YOWXLGAMUFXRSD-HUUCEWRRSA-N 2 1 313.486 2.752 20 0 DFADMP COC(C[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1)OC ZINC000363993916 429153129 /nfs/dbraw/zinc/15/31/29/429153129.db2.gz DUOHPWTWIJVNMC-UHFFFAOYSA-N 2 1 320.477 2.839 20 0 DFADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435620350 429153703 /nfs/dbraw/zinc/15/37/03/429153703.db2.gz BHFQIZOELQRSAL-INIZCTEOSA-N 2 1 314.433 2.743 20 0 DFADMP C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423498006 429098118 /nfs/dbraw/zinc/09/81/18/429098118.db2.gz AVXBAGJOBPCBOA-DNVCBOLYSA-N 2 1 319.493 2.795 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncn2C(C)C)[C@@H](C)C1 ZINC000424140431 429098171 /nfs/dbraw/zinc/09/81/71/429098171.db2.gz FYPWSDQRWHGQTM-WMZOPIPTSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncn2C(C)C)[C@@H](C)C1 ZINC000424140431 429098174 /nfs/dbraw/zinc/09/81/74/429098174.db2.gz FYPWSDQRWHGQTM-WMZOPIPTSA-N 2 1 322.497 2.691 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C[N@H+]1C1CC1 ZINC000424138976 429098723 /nfs/dbraw/zinc/09/87/23/429098723.db2.gz CTWDVHAKBMWYCZ-HYVNUMGLSA-N 2 1 321.509 2.806 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424144295 429098829 /nfs/dbraw/zinc/09/88/29/429098829.db2.gz XDFFDRIIBUYCKN-IAGOWNOFSA-N 2 1 309.498 2.665 20 0 DFADMP CC[N@@H+](CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C(C)C ZINC000424156178 429100577 /nfs/dbraw/zinc/10/05/77/429100577.db2.gz NUUNODJHDHQOTH-QGZVFWFLSA-N 2 1 311.514 2.911 20 0 DFADMP C[C@@H](c1cccc(N2CCOCC2)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423506196 429101116 /nfs/dbraw/zinc/10/11/16/429101116.db2.gz HUVQWXSGUVFMTQ-JTDSTZFVSA-N 2 1 317.477 2.501 20 0 DFADMP c1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CC2)cc1 ZINC000423499896 429101304 /nfs/dbraw/zinc/10/13/04/429101304.db2.gz BOPMPILBZASJNV-SOAGJPPSSA-N 2 1 313.489 2.944 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc(OC)c1OC ZINC000423500698 429102201 /nfs/dbraw/zinc/10/22/01/429102201.db2.gz DBKKSDPXJROVAK-SWLSCSKDSA-N 2 1 322.449 2.881 20 0 DFADMP [NH3+][C@@H](CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1)CC1CCCCC1 ZINC000424164283 429102369 /nfs/dbraw/zinc/10/23/69/429102369.db2.gz ZGZGHLHQHMYXKY-ROUUACIJSA-N 2 1 321.509 2.761 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510512 429102965 /nfs/dbraw/zinc/10/29/65/429102965.db2.gz MMRIKDLWASYYAN-CNXCKVANSA-N 2 1 313.489 2.726 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000423508867 429103190 /nfs/dbraw/zinc/10/31/90/429103190.db2.gz QZJIAEYKSYORBB-MKXGPGLRSA-N 2 1 301.478 2.711 20 0 DFADMP C[C@@H]1CN([C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507372 429104297 /nfs/dbraw/zinc/10/42/97/429104297.db2.gz JSXLSWSVAQWXIT-HNBVOPMISA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507372 429104300 /nfs/dbraw/zinc/10/43/00/429104300.db2.gz JSXLSWSVAQWXIT-HNBVOPMISA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507372 429104303 /nfs/dbraw/zinc/10/43/03/429104303.db2.gz JSXLSWSVAQWXIT-HNBVOPMISA-N 2 1 315.505 2.956 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)cn1 ZINC000423511019 429104429 /nfs/dbraw/zinc/10/44/29/429104429.db2.gz NAYRIHOCRRXOOA-JEYLPNPQSA-N 2 1 322.884 2.602 20 0 DFADMP COCCOc1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000423510786 429104622 /nfs/dbraw/zinc/10/46/22/429104622.db2.gz OAXSAAQPPATJGP-IIDMSEBBSA-N 2 1 306.450 2.690 20 0 DFADMP C[C@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514216 429106714 /nfs/dbraw/zinc/10/67/14/429106714.db2.gz SNLQUVIZOOCTLM-GPMSIDNRSA-N 3 1 319.493 2.605 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]CCN2C)C2CCCC2)cc1 ZINC000423522891 429108084 /nfs/dbraw/zinc/10/80/84/429108084.db2.gz RXGKEHOWSRQVNG-RTBURBONSA-N 2 1 301.478 2.720 20 0 DFADMP FC(F)COCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434736015 429109945 /nfs/dbraw/zinc/10/99/45/429109945.db2.gz FENUGEQMGXAJBW-UHFFFAOYSA-N 2 1 313.392 2.681 20 0 DFADMP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423529251 429110534 /nfs/dbraw/zinc/11/05/34/429110534.db2.gz XMFMNFUEDUIIKA-YGRLFVJLSA-N 2 1 315.244 2.949 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423529254 429110930 /nfs/dbraw/zinc/11/09/30/429110930.db2.gz XOIGNTZWQFKEGH-MSOLQXFVSA-N 2 1 305.441 2.550 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424291276 429120785 /nfs/dbraw/zinc/12/07/85/429120785.db2.gz NIQAUXVFKGLSPM-AWEZNQCLSA-N 2 1 303.450 2.671 20 0 DFADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424297387 429121213 /nfs/dbraw/zinc/12/12/13/429121213.db2.gz SNIJMYNOXHGBIQ-IAGOWNOFSA-N 2 1 323.525 2.781 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCC1 ZINC000424288681 429121364 /nfs/dbraw/zinc/12/13/64/429121364.db2.gz KYLDAQYKCGXWOG-INIZCTEOSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424303231 429122898 /nfs/dbraw/zinc/12/28/98/429122898.db2.gz NPSAVKFNLLXFKW-RDJZCZTQSA-N 2 1 307.457 2.532 20 0 DFADMP [NH3+]C[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424301983 429123244 /nfs/dbraw/zinc/12/32/44/429123244.db2.gz LOVATIPUTDYWMB-SFHVURJKSA-N 3 1 319.468 2.676 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1ccccc1F)CC[NH2+]CC2 ZINC000424299917 429123289 /nfs/dbraw/zinc/12/32/89/429123289.db2.gz WFBJFKQKTAIVQE-CQSZACIVSA-N 2 1 319.424 2.618 20 0 DFADMP COc1ccc(OCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424300511 429123330 /nfs/dbraw/zinc/12/33/30/429123330.db2.gz WMLCITNTDNYHCG-OAHLLOKOSA-N 2 1 304.434 2.538 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000376515939 429127749 /nfs/dbraw/zinc/12/77/49/429127749.db2.gz WDJNLQLUJTWFTH-IXDOHACOSA-N 2 1 322.493 2.772 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000435331567 429131063 /nfs/dbraw/zinc/13/10/63/429131063.db2.gz IBXAKPCTYVYYJK-RCCFBDPRSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000435331567 429131064 /nfs/dbraw/zinc/13/10/64/429131064.db2.gz IBXAKPCTYVYYJK-RCCFBDPRSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000435331567 429131067 /nfs/dbraw/zinc/13/10/67/429131067.db2.gz IBXAKPCTYVYYJK-RCCFBDPRSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424378159 429131953 /nfs/dbraw/zinc/13/19/53/429131953.db2.gz SJHUJGBQTFCHOG-GDAAHCPNSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1cccnc1 ZINC000435370801 429132592 /nfs/dbraw/zinc/13/25/92/429132592.db2.gz KDHBKBBRBNGLRI-DOTOQJQBSA-N 2 1 311.429 2.830 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435373171 429132991 /nfs/dbraw/zinc/13/29/91/429132991.db2.gz MKRYGXGTJMJUMO-KSSFIOAISA-N 2 1 311.429 2.926 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000435373171 429132994 /nfs/dbraw/zinc/13/29/94/429132994.db2.gz MKRYGXGTJMJUMO-KSSFIOAISA-N 2 1 311.429 2.926 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000435373659 429133026 /nfs/dbraw/zinc/13/30/26/429133026.db2.gz NWTLVTMBFNOKJE-CABCVRRESA-N 2 1 311.429 2.926 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424378894 429134059 /nfs/dbraw/zinc/13/40/59/429134059.db2.gz ODYBLPITPRABPR-CQSZACIVSA-N 2 1 304.482 2.874 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)o1 ZINC000435377807 429135283 /nfs/dbraw/zinc/13/52/83/429135283.db2.gz FKJQGFINFPEXRP-NWANDNLSSA-N 2 1 300.406 2.537 20 0 DFADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435384725 429135484 /nfs/dbraw/zinc/13/54/84/429135484.db2.gz NXNIWNNBFQTRPK-QGZVFWFLSA-N 3 1 313.449 2.540 20 0 DFADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCC[NH2+]CC1 ZINC000435384725 429135490 /nfs/dbraw/zinc/13/54/90/429135490.db2.gz NXNIWNNBFQTRPK-QGZVFWFLSA-N 3 1 313.449 2.540 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424425918 429140013 /nfs/dbraw/zinc/14/00/13/429140013.db2.gz KRHKPBKMINEJSJ-CQSZACIVSA-N 2 1 306.454 2.696 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430070 429142178 /nfs/dbraw/zinc/14/21/78/429142178.db2.gz YYSMWJQNHMPQTO-AWEZNQCLSA-N 2 1 306.454 2.696 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435436694 429142697 /nfs/dbraw/zinc/14/26/97/429142697.db2.gz HBVBHIHUMAFHJM-INIZCTEOSA-N 2 1 312.417 2.843 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494888652 429161541 /nfs/dbraw/zinc/16/15/41/429161541.db2.gz IKOVSDLSCBZWNK-BMGDILEWSA-N 2 1 315.461 2.666 20 0 DFADMP c1ccc(COC2CC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000364072068 429165884 /nfs/dbraw/zinc/16/58/84/429165884.db2.gz HLIMMXILCCEICH-BMHOQUIDSA-N 2 1 300.446 2.951 20 0 DFADMP C[NH2+]CCC[N@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000435886632 429170877 /nfs/dbraw/zinc/17/08/77/429170877.db2.gz ZVSVQPYUQPALMP-UHFFFAOYSA-N 2 1 301.409 2.875 20 0 DFADMP C[NH2+]CCC[N@@H+](CCc1ccccn1)Cc1ccc(F)cc1 ZINC000435886632 429170881 /nfs/dbraw/zinc/17/08/81/429170881.db2.gz ZVSVQPYUQPALMP-UHFFFAOYSA-N 2 1 301.409 2.875 20 0 DFADMP Cc1cccc(NC2CC[NH+](C[C@@H](O)CC(F)(F)F)CC2)[nH+]1 ZINC000364284672 429176857 /nfs/dbraw/zinc/17/68/57/429176857.db2.gz TWTGADYGKZZRCE-ZDUSSCGKSA-N 2 1 317.355 2.580 20 0 DFADMP C[C@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364330101 429182489 /nfs/dbraw/zinc/18/24/89/429182489.db2.gz UFQMNXWGJFTQKN-QUCCMNQESA-N 2 1 315.505 2.577 20 0 DFADMP Brc1ccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)nc1 ZINC000357059503 275369035 /nfs/dbraw/zinc/36/90/35/275369035.db2.gz XFMKTMMYGYDOPO-CYBMUJFWSA-N 2 1 324.266 2.666 20 0 DFADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364356044 275377773 /nfs/dbraw/zinc/37/77/73/275377773.db2.gz JRLWNGJKVUDDQR-OUCADQQQSA-N 2 1 322.250 2.765 20 0 DFADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364356044 275377774 /nfs/dbraw/zinc/37/77/74/275377774.db2.gz JRLWNGJKVUDDQR-OUCADQQQSA-N 2 1 322.250 2.765 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000364438452 429204873 /nfs/dbraw/zinc/20/48/73/429204873.db2.gz AUUXEBZXAQJIMY-RYQLBKOJSA-N 2 1 318.461 2.989 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000442929569 429240199 /nfs/dbraw/zinc/24/01/99/429240199.db2.gz RUMAOOXIWKBMRL-ZDUSSCGKSA-N 2 1 302.397 2.777 20 0 DFADMP C[N@H+](CCN1CCCc2ccccc21)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364670995 429245291 /nfs/dbraw/zinc/24/52/91/429245291.db2.gz ISQNSRUYSWOGLW-QGZVFWFLSA-N 2 1 324.472 2.830 20 0 DFADMP C[N@@H+](CCN1CCCc2ccccc21)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364670995 429245295 /nfs/dbraw/zinc/24/52/95/429245295.db2.gz ISQNSRUYSWOGLW-QGZVFWFLSA-N 2 1 324.472 2.830 20 0 DFADMP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364674047 429247648 /nfs/dbraw/zinc/24/76/48/429247648.db2.gz QLKSJFINPGBKJV-HNNXBMFYSA-N 2 1 309.413 2.853 20 0 DFADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364674047 429247651 /nfs/dbraw/zinc/24/76/51/429247651.db2.gz QLKSJFINPGBKJV-HNNXBMFYSA-N 2 1 309.413 2.853 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000495754533 429259868 /nfs/dbraw/zinc/25/98/68/429259868.db2.gz QPUJUMHTESJGED-UHFFFAOYSA-N 2 1 317.433 2.829 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495801427 429269767 /nfs/dbraw/zinc/26/97/67/429269767.db2.gz CQBVJYAXUKECOS-AWEZNQCLSA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449075361 429325366 /nfs/dbraw/zinc/32/53/66/429325366.db2.gz DZUJFRGZKLECHA-UHFFFAOYSA-N 2 1 315.461 2.940 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000449098596 429330656 /nfs/dbraw/zinc/33/06/56/429330656.db2.gz KAQQUDJFOXLEJS-LSDHHAIUSA-N 2 1 311.514 2.637 20 0 DFADMP COc1cc(C)ccc1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000449162049 429347685 /nfs/dbraw/zinc/34/76/85/429347685.db2.gz QILJOIRAPQSOSN-INIZCTEOSA-N 2 1 318.461 2.594 20 0 DFADMP FC(F)COc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000365543440 429339010 /nfs/dbraw/zinc/33/90/10/429339010.db2.gz FTBDQEDJGLXOCF-CQSZACIVSA-N 2 1 321.371 2.879 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000449137608 429341412 /nfs/dbraw/zinc/34/14/12/429341412.db2.gz YOMPFISXATWKQJ-DLBZAZTESA-N 2 1 321.509 2.666 20 0 DFADMP CCCCC[C@H](C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365586097 429345455 /nfs/dbraw/zinc/34/54/55/429345455.db2.gz SXXQOEUMUZEYAE-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCCCC[C@H](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365586097 429345458 /nfs/dbraw/zinc/34/54/58/429345458.db2.gz SXXQOEUMUZEYAE-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1n[nH]cc1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449157265 429345635 /nfs/dbraw/zinc/34/56/35/429345635.db2.gz PQTSBSBAOKDIIH-HNNXBMFYSA-N 2 1 312.461 2.903 20 0 DFADMP CCCCC[C@@H](C)CC(=O)N[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365586098 429345921 /nfs/dbraw/zinc/34/59/21/429345921.db2.gz SXXQOEUMUZEYAE-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCCC[C@@H](C)CC(=O)N[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365586098 429345926 /nfs/dbraw/zinc/34/59/26/429345926.db2.gz SXXQOEUMUZEYAE-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCCC1(C)C)c1ccccc1 ZINC000457078142 429392215 /nfs/dbraw/zinc/39/22/15/429392215.db2.gz QMVHOUJGYPORIC-KRWDZBQOSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCCC1(C)C)c1ccccc1 ZINC000457078142 429392220 /nfs/dbraw/zinc/39/22/20/429392220.db2.gz QMVHOUJGYPORIC-KRWDZBQOSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000457078142 429392222 /nfs/dbraw/zinc/39/22/22/429392222.db2.gz QMVHOUJGYPORIC-KRWDZBQOSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC000457078142 429392225 /nfs/dbraw/zinc/39/22/25/429392225.db2.gz QMVHOUJGYPORIC-KRWDZBQOSA-N 2 1 317.477 2.670 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000365876836 429393616 /nfs/dbraw/zinc/39/36/16/429393616.db2.gz LKNVPDQHRWQLOH-HPBDAGMYSA-N 2 1 302.487 2.974 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@H]2[C@@H]1c1ccccc1 ZINC000365876836 429393620 /nfs/dbraw/zinc/39/36/20/429393620.db2.gz LKNVPDQHRWQLOH-HPBDAGMYSA-N 2 1 302.487 2.974 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCOC3(CCC3)C2)CC1 ZINC000449181712 429350356 /nfs/dbraw/zinc/35/03/56/429350356.db2.gz IMMRPYLHFHHFLH-QGZVFWFLSA-N 2 1 310.482 2.567 20 0 DFADMP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000449235068 429362748 /nfs/dbraw/zinc/36/27/48/429362748.db2.gz SOMCFDMGEVCUMN-DNVCBOLYSA-N 2 1 314.429 2.567 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)[nH]c1C ZINC000449237444 429364143 /nfs/dbraw/zinc/36/41/43/429364143.db2.gz BNCPEAGEURWJSN-AWEZNQCLSA-N 2 1 321.465 2.854 20 0 DFADMP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000426364520 429385265 /nfs/dbraw/zinc/38/52/65/429385265.db2.gz ZQADDWDNFLLZEK-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449326210 429388267 /nfs/dbraw/zinc/38/82/67/429388267.db2.gz TVMFUEPNFZBWTP-ZACQAIPSSA-N 2 1 309.498 2.522 20 0 DFADMP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccnc(N)c2)CC1 ZINC000365851720 429388960 /nfs/dbraw/zinc/38/89/60/429388960.db2.gz GCZMTMHZXHPTJL-IBGZPJMESA-N 2 1 324.472 3.150 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCC[NH+](Cc2ccnc(N)c2)CC1 ZINC000365851720 429388963 /nfs/dbraw/zinc/38/89/63/429388963.db2.gz GCZMTMHZXHPTJL-IBGZPJMESA-N 2 1 324.472 3.150 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccnc(N)c2)CC1 ZINC000365851720 429388968 /nfs/dbraw/zinc/38/89/68/429388968.db2.gz GCZMTMHZXHPTJL-IBGZPJMESA-N 2 1 324.472 3.150 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](Cc2ccnc(N)c2)CC1 ZINC000365851720 429388973 /nfs/dbraw/zinc/38/89/73/429388973.db2.gz GCZMTMHZXHPTJL-IBGZPJMESA-N 2 1 324.472 3.150 20 0 DFADMP COc1cc2c(cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)O[C@@H](C)C2 ZINC000518924319 429439725 /nfs/dbraw/zinc/43/97/25/429439725.db2.gz CIYNBORRGXRONJ-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427297194 429443333 /nfs/dbraw/zinc/44/33/33/429443333.db2.gz YLVMAHUOWJYXSL-DLBZAZTESA-N 2 1 309.498 2.537 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449580957 429454561 /nfs/dbraw/zinc/45/45/61/429454561.db2.gz VXDQRPMMIOHUKZ-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000449580957 429454564 /nfs/dbraw/zinc/45/45/64/429454564.db2.gz VXDQRPMMIOHUKZ-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP CCN(CC)c1ncc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)s1 ZINC000366492665 429464700 /nfs/dbraw/zinc/46/47/00/429464700.db2.gz WEKJVKDUQXKRRZ-MRXNPFEDSA-N 2 1 308.495 2.517 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000426786994 429415173 /nfs/dbraw/zinc/41/51/73/429415173.db2.gz ZWSCMBDMXAZXEM-SJORKVTESA-N 2 1 323.525 2.687 20 0 DFADMP O[C@@H]1CCCC[C@@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000518383676 429418808 /nfs/dbraw/zinc/41/88/08/429418808.db2.gz OXYWBRKLTRTTGB-SJLPKXTDSA-N 2 1 317.477 2.950 20 0 DFADMP O[C@H]1CCCC[C@@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000518383674 429420012 /nfs/dbraw/zinc/42/00/12/429420012.db2.gz OXYWBRKLTRTTGB-AEFFLSMTSA-N 2 1 317.477 2.950 20 0 DFADMP C[N@@H+](CCCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC000457196873 429423380 /nfs/dbraw/zinc/42/33/80/429423380.db2.gz HWBQBQGONFILQO-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000457196873 429423384 /nfs/dbraw/zinc/42/33/84/429423384.db2.gz HWBQBQGONFILQO-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000457196873 429423388 /nfs/dbraw/zinc/42/33/88/429423388.db2.gz HWBQBQGONFILQO-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366533947 429470168 /nfs/dbraw/zinc/47/01/68/429470168.db2.gz JISOHSNYYZSNQP-GOSISDBHSA-N 2 1 304.482 2.783 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC000427129368 429433817 /nfs/dbraw/zinc/43/38/17/429433817.db2.gz WPAXQNXWWFDWQA-XLIONFOSSA-N 2 1 323.440 2.844 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)c2)nc1 ZINC000427129368 429433821 /nfs/dbraw/zinc/43/38/21/429433821.db2.gz WPAXQNXWWFDWQA-XLIONFOSSA-N 2 1 323.440 2.844 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000427104765 429434242 /nfs/dbraw/zinc/43/42/42/429434242.db2.gz QSMDZHFLHBYOSK-UYAOXDASSA-N 2 1 323.440 2.844 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000427104765 429434243 /nfs/dbraw/zinc/43/42/43/429434243.db2.gz QSMDZHFLHBYOSK-UYAOXDASSA-N 2 1 323.440 2.844 20 0 DFADMP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000366218143 429434902 /nfs/dbraw/zinc/43/49/02/429434902.db2.gz KHSIFUJZICZUDK-STQMWFEESA-N 2 1 311.495 2.677 20 0 DFADMP CO[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1(C)C ZINC000449496030 429434975 /nfs/dbraw/zinc/43/49/75/429434975.db2.gz FVOZORHXMBYHHB-QGZVFWFLSA-N 2 1 314.433 2.823 20 0 DFADMP c1csc([C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ncc[nH]2)c1 ZINC000366860511 429527627 /nfs/dbraw/zinc/52/76/27/429527627.db2.gz YTEVHWMERGKZLX-SWLSCSKDSA-N 2 1 313.430 2.609 20 0 DFADMP Cc1cn2c(CN3CC[C@]4(CC[N@H+](C)C4)C3)c(C)nc2s1 ZINC000366537170 429472937 /nfs/dbraw/zinc/47/29/37/429472937.db2.gz VTNVSSUMNFBJGG-INIZCTEOSA-N 2 1 304.463 2.540 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000519656947 429476004 /nfs/dbraw/zinc/47/60/04/429476004.db2.gz SYCJMVPRLVWFRV-ZDUSSCGKSA-N 2 1 317.433 2.543 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000366563359 429476299 /nfs/dbraw/zinc/47/62/99/429476299.db2.gz CBWUKDWYCWNQLT-GOSISDBHSA-N 2 1 321.465 2.632 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000366563359 429476303 /nfs/dbraw/zinc/47/63/03/429476303.db2.gz CBWUKDWYCWNQLT-GOSISDBHSA-N 2 1 321.465 2.632 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000366571607 429480085 /nfs/dbraw/zinc/48/00/85/429480085.db2.gz XZRVFSNTSBRVEP-APWZRJJASA-N 2 1 315.461 2.658 20 0 DFADMP CSCC[NH+](C)Cc1cncc(C[N@H+](C)CCSC)c1 ZINC000519744176 429482912 /nfs/dbraw/zinc/48/29/12/429482912.db2.gz KNWYLCYQSUBBTA-UHFFFAOYSA-N 2 1 313.536 2.671 20 0 DFADMP Cc1cccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000519761763 429486966 /nfs/dbraw/zinc/48/69/66/429486966.db2.gz FNWDFGSQRCGJFV-MJGOQNOKSA-N 2 1 309.413 2.736 20 0 DFADMP OC[C@@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000449709968 429487704 /nfs/dbraw/zinc/48/77/04/429487704.db2.gz KZYXJLPWXGJZEW-BGVWBIDGSA-N 2 1 314.473 2.933 20 0 DFADMP Clc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000366668369 429490906 /nfs/dbraw/zinc/49/09/06/429490906.db2.gz WQWBJIQQGDQBJF-WBMJQRKESA-N 2 1 301.821 2.856 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)N1CCC([N@H+]2CCC[C@@H]2C)CC1)C(C)C ZINC000366733020 429503987 /nfs/dbraw/zinc/50/39/87/429503987.db2.gz QPSFDDVOYONNRK-DLBZAZTESA-N 2 1 323.525 2.969 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449782657 429508287 /nfs/dbraw/zinc/50/82/87/429508287.db2.gz LKFULCNJDLYTQX-HNNXBMFYSA-N 2 1 303.450 2.868 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449782657 429508291 /nfs/dbraw/zinc/50/82/91/429508291.db2.gz LKFULCNJDLYTQX-HNNXBMFYSA-N 2 1 303.450 2.868 20 0 DFADMP C[C@H]1C[C@@H](NCCC[NH+]2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000520428175 429515367 /nfs/dbraw/zinc/51/53/67/429515367.db2.gz MYVCSRDKUCBEDB-HKUYNNGSSA-N 3 1 301.478 2.725 20 0 DFADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000449810444 429516051 /nfs/dbraw/zinc/51/60/51/429516051.db2.gz LXVRZHUNBBCNHQ-KBAYOESNSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449810444 429516056 /nfs/dbraw/zinc/51/60/56/429516056.db2.gz LXVRZHUNBBCNHQ-KBAYOESNSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449810444 429516067 /nfs/dbraw/zinc/51/60/67/429516067.db2.gz LXVRZHUNBBCNHQ-KBAYOESNSA-N 2 1 319.493 2.527 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](c3ccnn3C)C2)C1 ZINC000366794393 429516823 /nfs/dbraw/zinc/51/68/23/429516823.db2.gz ZPWSKGCRAWQASC-BRWVUGGUSA-N 2 1 304.482 2.768 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)cc1F ZINC000521369576 429548366 /nfs/dbraw/zinc/54/83/66/429548366.db2.gz AJUQYQZGHUOLID-GJZGRUSLSA-N 3 1 302.397 2.679 20 0 DFADMP c1cn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000522000815 429574680 /nfs/dbraw/zinc/57/46/80/429574680.db2.gz VHCCKBCDGFQHOO-GOSISDBHSA-N 2 1 310.445 2.670 20 0 DFADMP c1cn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000522000815 429574687 /nfs/dbraw/zinc/57/46/87/429574687.db2.gz VHCCKBCDGFQHOO-GOSISDBHSA-N 2 1 310.445 2.670 20 0 DFADMP CCOC1CC(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)C1 ZINC000367133620 429584505 /nfs/dbraw/zinc/58/45/05/429584505.db2.gz OHQJBAQMMIDQNR-PQUAAJSLSA-N 2 1 306.494 2.998 20 0 DFADMP C[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449930278 429538743 /nfs/dbraw/zinc/53/87/43/429538743.db2.gz LKWNOVKFEXLPGB-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1cc(NC[C@@H]2CSCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000428665639 429543125 /nfs/dbraw/zinc/54/31/25/429543125.db2.gz FCXUSBWJYSWGRC-GOSISDBHSA-N 2 1 313.470 2.841 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000366949550 429544591 /nfs/dbraw/zinc/54/45/91/429544591.db2.gz BZBMEPBWEJCHAU-UHFFFAOYSA-N 2 1 316.445 2.766 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)cc1 ZINC000366955387 429546719 /nfs/dbraw/zinc/54/67/19/429546719.db2.gz QEERWHFVGIPQRO-LJQANCHMSA-N 2 1 323.440 2.665 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)cc1 ZINC000366955387 429546721 /nfs/dbraw/zinc/54/67/21/429546721.db2.gz QEERWHFVGIPQRO-LJQANCHMSA-N 2 1 323.440 2.665 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@H](O)c1ccccc1)CC2)C1CC1 ZINC000367308930 429616528 /nfs/dbraw/zinc/61/65/28/429616528.db2.gz GFPZGKUMRMLOGJ-MJGOQNOKSA-N 2 1 314.473 2.916 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000429671640 429624644 /nfs/dbraw/zinc/62/46/44/429624644.db2.gz AONHKHQSEVIBRJ-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CC2CCCCC2)CC1 ZINC000429671640 429624648 /nfs/dbraw/zinc/62/46/48/429624648.db2.gz AONHKHQSEVIBRJ-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@@H+](CCN1CCC([NH+]2CCCC2)CC1)Cc1ccccc1 ZINC000429731489 429629036 /nfs/dbraw/zinc/62/90/36/429629036.db2.gz RGPOKQQILITTAV-UHFFFAOYSA-N 2 1 301.478 2.679 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450454976 429631188 /nfs/dbraw/zinc/63/11/88/429631188.db2.gz PMTJNSMGHUNWSG-CABCVRRESA-N 2 1 304.425 2.855 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOC[C@H]2CCCO2)C1 ZINC000524991380 429643203 /nfs/dbraw/zinc/64/32/03/429643203.db2.gz WDYBNPMQMHNFEK-CEXWTWQISA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOC[C@H]2CCCO2)C1 ZINC000524991380 429643206 /nfs/dbraw/zinc/64/32/06/429643206.db2.gz WDYBNPMQMHNFEK-CEXWTWQISA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOC[C@H]2CCCO2)C1 ZINC000524991380 429643210 /nfs/dbraw/zinc/64/32/10/429643210.db2.gz WDYBNPMQMHNFEK-CEXWTWQISA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOC[C@H]2CCCO2)C1 ZINC000524991380 429643212 /nfs/dbraw/zinc/64/32/12/429643212.db2.gz WDYBNPMQMHNFEK-CEXWTWQISA-N 2 1 324.509 2.768 20 0 DFADMP CC(=O)Oc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000367211492 429597948 /nfs/dbraw/zinc/59/79/48/429597948.db2.gz LEBLDXQHWNFWBA-SJPCQFCGSA-N 2 1 302.418 2.669 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000367211492 429597954 /nfs/dbraw/zinc/59/79/54/429597954.db2.gz LEBLDXQHWNFWBA-SJPCQFCGSA-N 2 1 302.418 2.669 20 0 DFADMP CC(=O)Oc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000367211492 429597967 /nfs/dbraw/zinc/59/79/67/429597967.db2.gz LEBLDXQHWNFWBA-SJPCQFCGSA-N 2 1 302.418 2.669 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])CC(C)C)cc1)C1CC1 ZINC000429318581 429599233 /nfs/dbraw/zinc/59/92/33/429599233.db2.gz RNCSPCIGDMXQHK-QGZVFWFLSA-N 2 1 317.477 2.774 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000429460198 429609577 /nfs/dbraw/zinc/60/95/77/429609577.db2.gz XENYQWQLLOQGNC-QZHFEQFPSA-N 2 1 320.452 2.612 20 0 DFADMP CCc1nc(N(C)C2CCN(c3cc[nH+]cc3)CC2)cc(C)[nH+]1 ZINC000367276856 429611604 /nfs/dbraw/zinc/61/16/04/429611604.db2.gz FXLLFXQPWKEPFH-UHFFFAOYSA-N 2 1 311.433 2.848 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1)C1CC1 ZINC000429529954 429612155 /nfs/dbraw/zinc/61/21/55/429612155.db2.gz ODCCDINPULTTEX-UHFFFAOYSA-N 2 1 317.477 2.728 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000450373327 429612290 /nfs/dbraw/zinc/61/22/90/429612290.db2.gz TXIQXSJZDGWWCK-KGLIPLIRSA-N 2 1 304.425 2.589 20 0 DFADMP C[C@H](c1csnn1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450648387 429670645 /nfs/dbraw/zinc/67/06/45/429670645.db2.gz YIFXQFJBVLUCFQ-CYBMUJFWSA-N 2 1 317.462 2.843 20 0 DFADMP O=C(CC[NH+]1CCC([NH2+]CC2CC2)CC1)NCC1CCCCC1 ZINC000430544268 429689714 /nfs/dbraw/zinc/68/97/14/429689714.db2.gz FSGYMHCFNMPKPS-UHFFFAOYSA-N 2 1 321.509 2.537 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367638983 429690925 /nfs/dbraw/zinc/69/09/25/429690925.db2.gz SLIVCHSJKIQJJL-FHWLQOOXSA-N 2 1 310.445 2.835 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000367624900 429687249 /nfs/dbraw/zinc/68/72/49/429687249.db2.gz YNACGEAKGRYPEG-CEXWTWQISA-N 2 1 307.526 2.772 20 0 DFADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430574882 429694946 /nfs/dbraw/zinc/69/49/46/429694946.db2.gz PERDLKOQSAPBIO-DLBZAZTESA-N 2 1 321.465 2.718 20 0 DFADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430574882 429694949 /nfs/dbraw/zinc/69/49/49/429694949.db2.gz PERDLKOQSAPBIO-DLBZAZTESA-N 2 1 321.465 2.718 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[NH2+][C@](C)(C[NH3+])C(C)C)c1 ZINC000430577242 429695957 /nfs/dbraw/zinc/69/59/57/429695957.db2.gz XECRSOBIFJEMBU-GOSISDBHSA-N 2 1 305.466 2.535 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1cc(F)cc(Br)c1)C1CC1 ZINC000430583975 429697297 /nfs/dbraw/zinc/69/72/97/429697297.db2.gz NSCGHSFAUAOSLP-CYBMUJFWSA-N 2 1 301.203 2.805 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000105480399 276367830 /nfs/dbraw/zinc/36/78/30/276367830.db2.gz BIIBKFPRMAHTQE-ZFWWWQNUSA-N 2 1 322.449 2.532 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000105480399 276367832 /nfs/dbraw/zinc/36/78/32/276367832.db2.gz BIIBKFPRMAHTQE-ZFWWWQNUSA-N 2 1 322.449 2.532 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367673252 429697784 /nfs/dbraw/zinc/69/77/84/429697784.db2.gz RCZJALWQPSWVSF-ZHALLVOQSA-N 2 1 307.526 2.913 20 0 DFADMP CCOc1ccccc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128584126 276383804 /nfs/dbraw/zinc/38/38/04/276383804.db2.gz ZGLQBWVILNZBAZ-KRWDZBQOSA-N 2 1 319.493 2.764 20 0 DFADMP C[N@@H+](Cc1ccc(OCc2cccnc2)cc1)C1CC[NH2+]CC1 ZINC000430602558 429700522 /nfs/dbraw/zinc/70/05/22/429700522.db2.gz LSKKYYRPRFSCDY-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP CC(C)C[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000450812532 429704799 /nfs/dbraw/zinc/70/47/99/429704799.db2.gz NLVQSCBQQAUVME-PMPSAXMXSA-N 2 1 310.461 2.699 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367721460 429706968 /nfs/dbraw/zinc/70/69/68/429706968.db2.gz OHYXSDMXZWPFPW-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367721460 429706971 /nfs/dbraw/zinc/70/69/71/429706971.db2.gz OHYXSDMXZWPFPW-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000367738735 429709107 /nfs/dbraw/zinc/70/91/07/429709107.db2.gz UOZGAPKLPUJTBU-CVEARBPZSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000367738735 429709110 /nfs/dbraw/zinc/70/91/10/429709110.db2.gz UOZGAPKLPUJTBU-CVEARBPZSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000367738735 429709113 /nfs/dbraw/zinc/70/91/13/429709113.db2.gz UOZGAPKLPUJTBU-CVEARBPZSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000430889153 429721242 /nfs/dbraw/zinc/72/12/42/429721242.db2.gz LWPMBNFJPDPWQC-TWMKSMIVSA-N 2 1 309.498 2.663 20 0 DFADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430964949 429731662 /nfs/dbraw/zinc/73/16/62/429731662.db2.gz JUTKUYVGHXVAJG-YOEHRIQHSA-N 2 1 311.429 2.838 20 0 DFADMP CCC[N@@H+](CCc1nc(-c2ccccc2)no1)C1CC[NH2+]CC1 ZINC000431085490 429741623 /nfs/dbraw/zinc/74/16/23/429741623.db2.gz RAZNKGWNZNYSNF-UHFFFAOYSA-N 2 1 314.433 2.743 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984591 429743272 /nfs/dbraw/zinc/74/32/72/429743272.db2.gz WWXJMWSKFXTYLC-NFEZDNKESA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984591 429743277 /nfs/dbraw/zinc/74/32/77/429743277.db2.gz WWXJMWSKFXTYLC-NFEZDNKESA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984591 429743282 /nfs/dbraw/zinc/74/32/82/429743282.db2.gz WWXJMWSKFXTYLC-NFEZDNKESA-N 2 1 302.462 2.708 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCCCO3)C1)CCCC2 ZINC000432109112 429800061 /nfs/dbraw/zinc/80/00/61/429800061.db2.gz FRTJVNAJVSITGL-CVEARBPZSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCCCO3)C1)CCCC2 ZINC000432109112 429800064 /nfs/dbraw/zinc/80/00/64/429800064.db2.gz FRTJVNAJVSITGL-CVEARBPZSA-N 2 1 303.450 2.886 20 0 DFADMP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000367997818 429761838 /nfs/dbraw/zinc/76/18/38/429761838.db2.gz GLLMHZUEEBKOLF-GUDVDZBRSA-N 2 1 314.473 2.792 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2[C@H]1CCc2ccccc21 ZINC000368017770 429766356 /nfs/dbraw/zinc/76/63/56/429766356.db2.gz IDEBVVOVFCOFQH-QXCFHYIPSA-N 2 1 300.446 2.857 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc(C)c1O ZINC000368015604 429766756 /nfs/dbraw/zinc/76/67/56/429766756.db2.gz JFDSJCKZGJCPPP-FGTMMUONSA-N 2 1 300.446 2.925 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc(C)c1O ZINC000368015604 429766759 /nfs/dbraw/zinc/76/67/59/429766759.db2.gz JFDSJCKZGJCPPP-FGTMMUONSA-N 2 1 300.446 2.925 20 0 DFADMP C[C@]1(F)CCC[NH+](CCOCC[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451116681 429771514 /nfs/dbraw/zinc/77/15/14/429771514.db2.gz SINCBJKSLDXREM-HOTGVXAUSA-N 2 1 304.425 2.651 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431725964 429778667 /nfs/dbraw/zinc/77/86/67/429778667.db2.gz OUTMNCFPPTXFQH-KZNAEPCWSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431733882 429779305 /nfs/dbraw/zinc/77/93/05/429779305.db2.gz ANXGYIAZRIMCIV-MHORFTMASA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431733882 429779309 /nfs/dbraw/zinc/77/93/09/429779309.db2.gz ANXGYIAZRIMCIV-MHORFTMASA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431733882 429779313 /nfs/dbraw/zinc/77/93/13/429779313.db2.gz ANXGYIAZRIMCIV-MHORFTMASA-N 2 1 323.525 2.734 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000368070648 429779486 /nfs/dbraw/zinc/77/94/86/429779486.db2.gz DJEKXNHBWLWINJ-RDJZCZTQSA-N 2 1 319.836 2.553 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000368070648 429779488 /nfs/dbraw/zinc/77/94/88/429779488.db2.gz DJEKXNHBWLWINJ-RDJZCZTQSA-N 2 1 319.836 2.553 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431746888 429781555 /nfs/dbraw/zinc/78/15/55/429781555.db2.gz XEDBDYDUJJTULL-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431746888 429781558 /nfs/dbraw/zinc/78/15/58/429781558.db2.gz XEDBDYDUJJTULL-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431746888 429781563 /nfs/dbraw/zinc/78/15/63/429781563.db2.gz XEDBDYDUJJTULL-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC12CC2 ZINC000527843144 429807832 /nfs/dbraw/zinc/80/78/32/429807832.db2.gz AUEBVOIKWLMLIN-QAPCUYQASA-N 2 1 300.446 2.797 20 0 DFADMP C[NH+](C)CCCC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431823393 429786145 /nfs/dbraw/zinc/78/61/45/429786145.db2.gz QXNIKJICDKOUOD-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451372835 429818977 /nfs/dbraw/zinc/81/89/77/429818977.db2.gz QYQBRUPVRLOCJR-FYQPLNBISA-N 2 1 317.521 2.547 20 0 DFADMP c1ccc(COC2CC([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000493740537 429820043 /nfs/dbraw/zinc/82/00/43/429820043.db2.gz UZFZXUFLLBAVTE-UHFFFAOYSA-N 2 1 300.446 2.951 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C12CCCC2 ZINC000432413450 429821593 /nfs/dbraw/zinc/82/15/93/429821593.db2.gz MRZJJSKJIXZKPZ-FGTMMUONSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1N(C)C ZINC000432410526 429821769 /nfs/dbraw/zinc/82/17/69/429821769.db2.gz PRFFSKBXGLUMPJ-SJORKVTESA-N 2 1 319.493 2.904 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415552 429821991 /nfs/dbraw/zinc/82/19/91/429821991.db2.gz NJYHZIKHMJSRNA-HZPDHXFCSA-N 2 1 318.461 2.868 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415552 429821994 /nfs/dbraw/zinc/82/19/94/429821994.db2.gz NJYHZIKHMJSRNA-HZPDHXFCSA-N 2 1 318.461 2.868 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)OC)c1 ZINC000527930776 429823524 /nfs/dbraw/zinc/82/35/24/429823524.db2.gz WAHDOBHUHICMNW-MKXGPGLRSA-N 2 1 318.461 2.845 20 0 DFADMP O[C@H](CCc1ccccc1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000368319768 429829372 /nfs/dbraw/zinc/82/93/72/429829372.db2.gz TZHGFEQBDTVNJL-HXUWFJFHSA-N 2 1 316.489 2.977 20 0 DFADMP CC1CC[NH+](CCN2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000493791620 429830327 /nfs/dbraw/zinc/83/03/27/429830327.db2.gz IBRYISKEMCMUEJ-IBGZPJMESA-N 2 1 315.505 2.925 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529150 429844636 /nfs/dbraw/zinc/84/46/36/429844636.db2.gz MJFKJSFCZHCMET-HKUYNNGSSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529150 429844641 /nfs/dbraw/zinc/84/46/41/429844641.db2.gz MJFKJSFCZHCMET-HKUYNNGSSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529150 429844644 /nfs/dbraw/zinc/84/46/44/429844644.db2.gz MJFKJSFCZHCMET-HKUYNNGSSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@@H](C)CC(C)C)C2)CC1 ZINC000451529150 429844647 /nfs/dbraw/zinc/84/46/47/429844647.db2.gz MJFKJSFCZHCMET-HKUYNNGSSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493889924 429846314 /nfs/dbraw/zinc/84/63/14/429846314.db2.gz ZGLSXIYIUFYNSD-DLBZAZTESA-N 2 1 321.371 2.980 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000368434525 429849507 /nfs/dbraw/zinc/84/95/07/429849507.db2.gz PMBLTRLSIZFBSP-ZHALLVOQSA-N 2 1 324.472 2.871 20 0 DFADMP CCN(C(=O)CCC[NH2+]C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453897 429851349 /nfs/dbraw/zinc/85/13/49/429851349.db2.gz NCBYYDWSATZBEX-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP COC[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000368529510 429862249 /nfs/dbraw/zinc/86/22/49/429862249.db2.gz BZZILFUSDIMIJL-RBUKOAKNSA-N 2 1 302.462 2.913 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCC1CCOCC1 ZINC000368530472 429862728 /nfs/dbraw/zinc/86/27/28/429862728.db2.gz MRWZXLUFPBHUTA-QYZOEREBSA-N 2 1 324.509 2.767 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494299322 429866177 /nfs/dbraw/zinc/86/61/77/429866177.db2.gz MHXYKMLJVRDTJL-UHFFFAOYSA-N 2 1 322.453 2.523 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000494299322 429866178 /nfs/dbraw/zinc/86/61/78/429866178.db2.gz MHXYKMLJVRDTJL-UHFFFAOYSA-N 2 1 322.453 2.523 20 0 DFADMP COCC(C)(C)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000494338728 429867594 /nfs/dbraw/zinc/86/75/94/429867594.db2.gz LCYZLJOKVYIHDF-SFHVURJKSA-N 2 1 304.478 2.813 20 0 DFADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C2CC2)cn1 ZINC000527844513 429808770 /nfs/dbraw/zinc/80/87/70/429808770.db2.gz ZOXQHPUOTJCUDA-LZLYRXPVSA-N 2 1 301.434 2.758 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H]2CCC[C@H]21 ZINC000368607120 429877379 /nfs/dbraw/zinc/87/73/79/429877379.db2.gz GVIRAFJLEKNDKG-RLFYNMQTSA-N 2 1 312.461 2.958 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1)C(C)C ZINC000368718247 429890061 /nfs/dbraw/zinc/89/00/61/429890061.db2.gz GEFWZACGRLRBOA-SFHVURJKSA-N 2 1 317.477 2.789 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000528478080 429892254 /nfs/dbraw/zinc/89/22/54/429892254.db2.gz SOWLFRGYLSSENJ-MSOLQXFVSA-N 2 1 308.441 2.799 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)CC[C@@H]3CCCO3)CC2)nc(C)[nH+]1 ZINC000368948067 429903485 /nfs/dbraw/zinc/90/34/85/429903485.db2.gz AXEUBHPXSPGQOA-KRWDZBQOSA-N 2 1 318.465 2.563 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CC[C@@H]3CCCO3)CC2)nc(C)[nH+]1 ZINC000368948067 429903487 /nfs/dbraw/zinc/90/34/87/429903487.db2.gz AXEUBHPXSPGQOA-KRWDZBQOSA-N 2 1 318.465 2.563 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000369140649 429915742 /nfs/dbraw/zinc/91/57/42/429915742.db2.gz UNTRUKVRQDGYGJ-FUHWJXTLSA-N 2 1 302.462 2.913 20 0 DFADMP COc1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1O ZINC000369204044 429919409 /nfs/dbraw/zinc/91/94/09/429919409.db2.gz NKFDRSOFEABHGT-UHFFFAOYSA-N 2 1 304.434 2.709 20 0 DFADMP Cc1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)s1 ZINC000556951967 429924009 /nfs/dbraw/zinc/92/40/09/429924009.db2.gz JPIIPQJLAQZCAE-UHFFFAOYSA-N 2 1 307.507 2.671 20 0 DFADMP Clc1nc2ccccn2c1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000369347076 429925957 /nfs/dbraw/zinc/92/59/57/429925957.db2.gz VUPXAJYREYOVDI-LBPRGKRZSA-N 2 1 315.808 2.536 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCc4cnccn4)C3)C2)cc1 ZINC000639641513 429927852 /nfs/dbraw/zinc/92/78/52/429927852.db2.gz KNNICOBTYJWAAG-HXUWFJFHSA-N 2 1 322.456 2.617 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CCc4cnccn4)C3)C2)cc1 ZINC000639641513 429927858 /nfs/dbraw/zinc/92/78/58/429927858.db2.gz KNNICOBTYJWAAG-HXUWFJFHSA-N 2 1 322.456 2.617 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CCc4cnccn4)C3)C2)cc1 ZINC000639641513 429927863 /nfs/dbraw/zinc/92/78/63/429927863.db2.gz KNNICOBTYJWAAG-HXUWFJFHSA-N 2 1 322.456 2.617 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CCc4cnccn4)C3)C2)cc1 ZINC000639641513 429927867 /nfs/dbraw/zinc/92/78/67/429927867.db2.gz KNNICOBTYJWAAG-HXUWFJFHSA-N 2 1 322.456 2.617 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000369348045 429927965 /nfs/dbraw/zinc/92/79/65/429927965.db2.gz GUNISXKJLTXSQQ-XUVXKRRUSA-N 2 1 316.489 2.975 20 0 DFADMP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)c(C)cn1 ZINC000529042188 429954966 /nfs/dbraw/zinc/95/49/66/429954966.db2.gz SFRWBJWAXATCKL-INIZCTEOSA-N 2 1 316.449 2.649 20 0 DFADMP COc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000573487024 429957187 /nfs/dbraw/zinc/95/71/87/429957187.db2.gz DSVBWTMWWQLLDS-ZBFHGGJFSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000573487024 429957192 /nfs/dbraw/zinc/95/71/92/429957192.db2.gz DSVBWTMWWQLLDS-ZBFHGGJFSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000573487024 429957194 /nfs/dbraw/zinc/95/71/94/429957194.db2.gz DSVBWTMWWQLLDS-ZBFHGGJFSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000573487024 429957198 /nfs/dbraw/zinc/95/71/98/429957198.db2.gz DSVBWTMWWQLLDS-ZBFHGGJFSA-N 2 1 306.450 2.784 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cn4cc(Cl)ccc4n3)C2)CC1 ZINC000639762425 429972574 /nfs/dbraw/zinc/97/25/74/429972574.db2.gz LEEZVHOVJWWZCH-UHFFFAOYSA-N 2 1 318.852 2.905 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CC2([NH3+])CCCCC2)c2ccccc2C1 ZINC000573711429 429974302 /nfs/dbraw/zinc/97/43/02/429974302.db2.gz SJMDIBJZHZCJGC-SFHVURJKSA-N 2 1 315.461 2.731 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573793198 429983584 /nfs/dbraw/zinc/98/35/84/429983584.db2.gz XIFLVUVYAZZEPV-WDEREUQCSA-N 2 1 322.762 2.635 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639657187 429935487 /nfs/dbraw/zinc/93/54/87/429935487.db2.gz WJONYQLJCIAZTI-IBGZPJMESA-N 2 1 300.446 2.677 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639657187 429935494 /nfs/dbraw/zinc/93/54/94/429935494.db2.gz WJONYQLJCIAZTI-IBGZPJMESA-N 2 1 300.446 2.677 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639657187 429935498 /nfs/dbraw/zinc/93/54/98/429935498.db2.gz WJONYQLJCIAZTI-IBGZPJMESA-N 2 1 300.446 2.677 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C12CCCCC2 ZINC000369433030 429943066 /nfs/dbraw/zinc/94/30/66/429943066.db2.gz CCWCQPPWCWVRCQ-OWCLPIDISA-N 2 1 303.450 2.915 20 0 DFADMP C[C@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CC(C)C1 ZINC000557519512 429943918 /nfs/dbraw/zinc/94/39/18/429943918.db2.gz NXYWNLKPCWXLBJ-MRXNPFEDSA-N 2 1 315.461 2.951 20 0 DFADMP CC1CC[NH+](CC2CC[NH+](CCN3CCCCC3)CC2)CC1 ZINC000369480486 429953476 /nfs/dbraw/zinc/95/34/76/429953476.db2.gz OUOZBYCMIKCSSF-UHFFFAOYSA-N 2 1 307.526 2.916 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000369487006 429954224 /nfs/dbraw/zinc/95/42/24/429954224.db2.gz YQDJTQMOZOMIIY-CQSZACIVSA-N 2 1 311.389 2.839 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccc(-c2cc[nH]n2)o1 ZINC000369487006 429954228 /nfs/dbraw/zinc/95/42/28/429954228.db2.gz YQDJTQMOZOMIIY-CQSZACIVSA-N 2 1 311.389 2.839 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484479 429954311 /nfs/dbraw/zinc/95/43/11/429954311.db2.gz NAOQWUYHIHUADR-XJKSGUPXSA-N 2 1 300.406 2.586 20 0 DFADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484479 429954316 /nfs/dbraw/zinc/95/43/16/429954316.db2.gz NAOQWUYHIHUADR-XJKSGUPXSA-N 2 1 300.406 2.586 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484479 429954321 /nfs/dbraw/zinc/95/43/21/429954321.db2.gz NAOQWUYHIHUADR-XJKSGUPXSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484479 429954325 /nfs/dbraw/zinc/95/43/25/429954325.db2.gz NAOQWUYHIHUADR-XJKSGUPXSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484479 429954328 /nfs/dbraw/zinc/95/43/28/429954328.db2.gz NAOQWUYHIHUADR-XJKSGUPXSA-N 2 1 300.406 2.586 20 0 DFADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277515 430027926 /nfs/dbraw/zinc/02/79/26/430027926.db2.gz KZJPBVCWFIVVQT-ZIAGYGMSSA-N 2 1 322.836 2.890 20 0 DFADMP CC1([NH+]2CCCC2)CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000639981567 430043138 /nfs/dbraw/zinc/04/31/38/430043138.db2.gz LNAOLZJWRWQMSK-UHFFFAOYSA-N 2 1 308.388 2.906 20 0 DFADMP C[C@@H](O)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000573835865 429987830 /nfs/dbraw/zinc/98/78/30/429987830.db2.gz YPDIQYFIASDNRT-LSDHHAIUSA-N 2 1 302.418 2.771 20 0 DFADMP COc1cc2c(c(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)c1)O[C@@H](C)C2 ZINC000634732193 430093015 /nfs/dbraw/zinc/09/30/15/430093015.db2.gz AKQMICUYQSJDFM-BBRMVZONSA-N 2 1 318.461 2.886 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000634732767 430093130 /nfs/dbraw/zinc/09/31/30/430093130.db2.gz OKMBCGOGWRAEJX-NSHDSACASA-N 2 1 301.356 2.968 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530225385 430106229 /nfs/dbraw/zinc/10/62/29/430106229.db2.gz YYNVPPSRIYROJB-SFYZADRCSA-N 2 1 307.182 2.943 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ncccc2Cl)C1 ZINC000530221544 430106413 /nfs/dbraw/zinc/10/64/13/430106413.db2.gz GFEGWVNPIPSIOX-WQVCFCJDSA-N 2 1 309.841 2.596 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000560583455 430056794 /nfs/dbraw/zinc/05/67/94/430056794.db2.gz YHWMLOPSDHAVDZ-ZACQAIPSSA-N 2 1 304.482 2.910 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000560583455 430056798 /nfs/dbraw/zinc/05/67/98/430056798.db2.gz YHWMLOPSDHAVDZ-ZACQAIPSSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598037 430057244 /nfs/dbraw/zinc/05/72/44/430057244.db2.gz QCTNXSTYURCRFY-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC1(C)C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000634678107 430073824 /nfs/dbraw/zinc/07/38/24/430073824.db2.gz ISYZYNCHBLIGGH-SFHVURJKSA-N 2 1 318.461 2.566 20 0 DFADMP CC[NH2+]CCCNc1cc[nH+]c2ccc(Br)cc12 ZINC000561264091 430084588 /nfs/dbraw/zinc/08/45/88/430084588.db2.gz KVOXQYKGPFDQEZ-UHFFFAOYSA-N 2 1 308.223 2.831 20 0 DFADMP O[C@@]1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712456 430085379 /nfs/dbraw/zinc/08/53/79/430085379.db2.gz GRGUNMFSELPGES-DLBZAZTESA-N 2 1 324.415 2.648 20 0 DFADMP O[C@@]1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712456 430085384 /nfs/dbraw/zinc/08/53/84/430085384.db2.gz GRGUNMFSELPGES-DLBZAZTESA-N 2 1 324.415 2.648 20 0 DFADMP O[C@]1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712459 430085546 /nfs/dbraw/zinc/08/55/46/430085546.db2.gz GRGUNMFSELPGES-SJORKVTESA-N 2 1 324.415 2.648 20 0 DFADMP O[C@]1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712459 430085549 /nfs/dbraw/zinc/08/55/49/430085549.db2.gz GRGUNMFSELPGES-SJORKVTESA-N 2 1 324.415 2.648 20 0 DFADMP O[C@]1(C[NH2+]CC(C2CC2)C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634706539 430086666 /nfs/dbraw/zinc/08/66/66/430086666.db2.gz RDBRCPRUJHKUMQ-FQEVSTJZSA-N 2 1 314.473 2.649 20 0 DFADMP O[C@]1(C[NH2+]CC(C2CC2)C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634706539 430086671 /nfs/dbraw/zinc/08/66/71/430086671.db2.gz RDBRCPRUJHKUMQ-FQEVSTJZSA-N 2 1 314.473 2.649 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000562618868 430154651 /nfs/dbraw/zinc/15/46/51/430154651.db2.gz MTKGWIWONLUTID-HNNXBMFYSA-N 2 1 315.421 2.639 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000562618868 430154654 /nfs/dbraw/zinc/15/46/54/430154654.db2.gz MTKGWIWONLUTID-HNNXBMFYSA-N 2 1 315.421 2.639 20 0 DFADMP C[C@@H]1C[N@@H+](CCCNCc2cnc(C3CC3)s2)CCCO1 ZINC000562413226 430128966 /nfs/dbraw/zinc/12/89/66/430128966.db2.gz JKZJYLKCUHFSOK-CYBMUJFWSA-N 2 1 309.479 2.611 20 0 DFADMP C[C@@H]1CN(CCC[NH2+]Cc2cnc(C3CC3)s2)CCCO1 ZINC000562413226 430128969 /nfs/dbraw/zinc/12/89/69/430128969.db2.gz JKZJYLKCUHFSOK-CYBMUJFWSA-N 2 1 309.479 2.611 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000562441996 430133167 /nfs/dbraw/zinc/13/31/67/430133167.db2.gz JVRPEIOAJMGMSN-IBGZPJMESA-N 2 1 304.478 2.644 20 0 DFADMP Cn1cncc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580551498 430134889 /nfs/dbraw/zinc/13/48/89/430134889.db2.gz PTXWVWZKUDQGDE-GOSISDBHSA-N 3 1 324.472 2.749 20 0 DFADMP Cn1cncc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580551498 430134893 /nfs/dbraw/zinc/13/48/93/430134893.db2.gz PTXWVWZKUDQGDE-GOSISDBHSA-N 3 1 324.472 2.749 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991066 430184689 /nfs/dbraw/zinc/18/46/89/430184689.db2.gz OGGWWSMFTDOGJJ-HNNXBMFYSA-N 2 1 310.445 2.762 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991066 430184692 /nfs/dbraw/zinc/18/46/92/430184692.db2.gz OGGWWSMFTDOGJJ-HNNXBMFYSA-N 2 1 310.445 2.762 20 0 DFADMP C[C@@H]1C[C@@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634992468 430185545 /nfs/dbraw/zinc/18/55/45/430185545.db2.gz PYXOYYZBLLAXJN-OTBHMBEGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000634997286 430187947 /nfs/dbraw/zinc/18/79/47/430187947.db2.gz IDHNQGSHFCFQBQ-BYCMXARLSA-N 2 1 316.367 2.859 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000634998783 430189693 /nfs/dbraw/zinc/18/96/93/430189693.db2.gz KZNONKVBRNSJIR-ZIAGYGMSSA-N 2 1 307.869 2.967 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000634998783 430189697 /nfs/dbraw/zinc/18/96/97/430189697.db2.gz KZNONKVBRNSJIR-ZIAGYGMSSA-N 2 1 307.869 2.967 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000634998645 430190447 /nfs/dbraw/zinc/19/04/47/430190447.db2.gz IZJLICAZIYMJNS-OCCSQVGLSA-N 2 1 304.825 2.552 20 0 DFADMP CCOc1cccc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1OC(F)F ZINC000635000005 430190536 /nfs/dbraw/zinc/19/05/36/430190536.db2.gz FFMPSTOXQVSMIA-AAEUAGOBSA-N 2 1 314.376 2.713 20 0 DFADMP CCOc1cccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)c1OC(F)F ZINC000635000005 430190540 /nfs/dbraw/zinc/19/05/40/430190540.db2.gz FFMPSTOXQVSMIA-AAEUAGOBSA-N 2 1 314.376 2.713 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000635000475 430190551 /nfs/dbraw/zinc/19/05/51/430190551.db2.gz PCVRGQLNWCQQLB-AAEUAGOBSA-N 2 1 312.841 2.774 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000635000475 430190556 /nfs/dbraw/zinc/19/05/56/430190556.db2.gz PCVRGQLNWCQQLB-AAEUAGOBSA-N 2 1 312.841 2.774 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000635000641 430191072 /nfs/dbraw/zinc/19/10/72/430191072.db2.gz SCKFXEOOYJLEQO-HOCLYGCPSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1c[nH+]ccc1N ZINC000635002992 430191914 /nfs/dbraw/zinc/19/19/14/430191914.db2.gz DEMCJLXYHVSTGW-BQFCYCMXSA-N 2 1 324.472 2.913 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000635000642 430192415 /nfs/dbraw/zinc/19/24/15/430192415.db2.gz SCKFXEOOYJLEQO-ZBFHGGJFSA-N 2 1 306.450 2.901 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001066 430192555 /nfs/dbraw/zinc/19/25/55/430192555.db2.gz DWXNWXBPSBFNII-UHFFFAOYSA-N 2 1 316.367 2.560 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1cccnc1 ZINC000640534833 430193276 /nfs/dbraw/zinc/19/32/76/430193276.db2.gz WIJGUOCFDQPIMZ-UHFFFAOYSA-N 2 1 318.465 2.608 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005631 430194012 /nfs/dbraw/zinc/19/40/12/430194012.db2.gz VUQKECUSDZVZFN-AILXTGBUSA-N 3 1 315.505 2.862 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005631 430194014 /nfs/dbraw/zinc/19/40/14/430194014.db2.gz VUQKECUSDZVZFN-AILXTGBUSA-N 2 1 315.505 2.862 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)CC[NH2+]2)cc1 ZINC000635005856 430194036 /nfs/dbraw/zinc/19/40/36/430194036.db2.gz XAWMCHCDMNHBFY-CTNGQTDRSA-N 3 1 321.468 2.915 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000358227177 277184055 /nfs/dbraw/zinc/18/40/55/277184055.db2.gz AFCYMDIWMMKJDF-SJORKVTESA-N 2 1 308.853 2.764 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000358227177 277184056 /nfs/dbraw/zinc/18/40/56/277184056.db2.gz AFCYMDIWMMKJDF-SJORKVTESA-N 2 1 308.853 2.764 20 0 DFADMP CC(C)[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999897 430199029 /nfs/dbraw/zinc/19/90/29/430199029.db2.gz FKDNIAAENGDQLD-QZTJIDSGSA-N 2 1 308.510 2.959 20 0 DFADMP COCCc1ncc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)s1 ZINC000638056781 430221423 /nfs/dbraw/zinc/22/14/23/430221423.db2.gz LMOXYLVZRHLGAM-AWEZNQCLSA-N 2 1 320.462 2.674 20 0 DFADMP COCCc1ncc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)s1 ZINC000638056781 430221428 /nfs/dbraw/zinc/22/14/28/430221428.db2.gz LMOXYLVZRHLGAM-AWEZNQCLSA-N 2 1 320.462 2.674 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000638063411 430223369 /nfs/dbraw/zinc/22/33/69/430223369.db2.gz DSXAESMPUBZMHD-XJKSGUPXSA-N 2 1 323.868 2.591 20 0 DFADMP c1cc2c(o1)CCC[C@@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000581602836 430223394 /nfs/dbraw/zinc/22/33/94/430223394.db2.gz UULMNARCWRSXRR-HNNXBMFYSA-N 2 1 301.390 2.902 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000542766943 430223555 /nfs/dbraw/zinc/22/35/55/430223555.db2.gz UBFUHPSZBCYMNV-MRXNPFEDSA-N 2 1 319.497 3.389 20 0 DFADMP C[N@H+](Cc1ccccc1OCCCCO)CC1CC[NH+](C)CC1 ZINC000638029889 430212520 /nfs/dbraw/zinc/21/25/20/430212520.db2.gz XENQHVBXOFHLRC-UHFFFAOYSA-N 2 1 320.477 2.612 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000581486161 430213543 /nfs/dbraw/zinc/21/35/43/430213543.db2.gz YLERDUHIVVWRNX-ORUDLHBZSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000581486161 430213549 /nfs/dbraw/zinc/21/35/49/430213549.db2.gz YLERDUHIVVWRNX-ORUDLHBZSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000581486161 430213554 /nfs/dbraw/zinc/21/35/54/430213554.db2.gz YLERDUHIVVWRNX-ORUDLHBZSA-N 2 1 315.461 2.911 20 0 DFADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000565530823 430217374 /nfs/dbraw/zinc/21/73/74/430217374.db2.gz TVMXBAOZANQQFO-RHSMWYFYSA-N 2 1 321.490 2.739 20 0 DFADMP c1cnc2cc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2n1 ZINC000638122004 430241629 /nfs/dbraw/zinc/24/16/29/430241629.db2.gz KALUKRKRXRRUBF-QGZVFWFLSA-N 2 1 310.445 2.938 20 0 DFADMP c1cnc2cc(C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)ccc2n1 ZINC000638122004 430241633 /nfs/dbraw/zinc/24/16/33/430241633.db2.gz KALUKRKRXRRUBF-QGZVFWFLSA-N 2 1 310.445 2.938 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H](C1CCCCC1)[NH+](C)C ZINC000635283311 430244980 /nfs/dbraw/zinc/24/49/80/430244980.db2.gz JOOFWFAGGAMRRP-INIZCTEOSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)O[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000581882262 430246222 /nfs/dbraw/zinc/24/62/22/430246222.db2.gz LSBUECCXAYVPFI-LJQANCHMSA-N 2 1 318.461 2.518 20 0 DFADMP CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000581882262 430246226 /nfs/dbraw/zinc/24/62/26/430246226.db2.gz LSBUECCXAYVPFI-LJQANCHMSA-N 2 1 318.461 2.518 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134959 430248179 /nfs/dbraw/zinc/24/81/79/430248179.db2.gz QTEZSNFSLSWSRN-PBHICJAKSA-N 2 1 318.461 2.965 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134959 430248181 /nfs/dbraw/zinc/24/81/81/430248181.db2.gz QTEZSNFSLSWSRN-PBHICJAKSA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134959 430248184 /nfs/dbraw/zinc/24/81/84/430248184.db2.gz QTEZSNFSLSWSRN-PBHICJAKSA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134959 430248188 /nfs/dbraw/zinc/24/81/88/430248188.db2.gz QTEZSNFSLSWSRN-PBHICJAKSA-N 2 1 318.461 2.965 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635323849 430254904 /nfs/dbraw/zinc/25/49/04/430254904.db2.gz DMZHTMMGHMIRKF-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635323849 430254909 /nfs/dbraw/zinc/25/49/09/430254909.db2.gz DMZHTMMGHMIRKF-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635323849 430254913 /nfs/dbraw/zinc/25/49/13/430254913.db2.gz DMZHTMMGHMIRKF-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000635323669 430255167 /nfs/dbraw/zinc/25/51/67/430255167.db2.gz ALJXBTHLXYNOQL-MRXNPFEDSA-N 2 1 320.481 2.635 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000635323669 430255171 /nfs/dbraw/zinc/25/51/71/430255171.db2.gz ALJXBTHLXYNOQL-MRXNPFEDSA-N 2 1 320.481 2.635 20 0 DFADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(F)c1 ZINC000638181849 430263518 /nfs/dbraw/zinc/26/35/18/430263518.db2.gz PEIHSEWEBXGROB-CGTJXYLNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(F)c1 ZINC000638181849 430263520 /nfs/dbraw/zinc/26/35/20/430263520.db2.gz PEIHSEWEBXGROB-CGTJXYLNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(F)c1 ZINC000638181850 430264984 /nfs/dbraw/zinc/26/49/84/430264984.db2.gz PEIHSEWEBXGROB-KBAYOESNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(F)c1 ZINC000638181850 430264989 /nfs/dbraw/zinc/26/49/89/430264989.db2.gz PEIHSEWEBXGROB-KBAYOESNSA-N 2 1 306.425 2.818 20 0 DFADMP [NH3+]C[C@H]([NH2+]CCCn1c2ccccc2[nH]c1=O)C1CCCCC1 ZINC000582112987 430268654 /nfs/dbraw/zinc/26/86/54/430268654.db2.gz ODZHWDMFUNTJFJ-INIZCTEOSA-N 2 1 316.449 2.629 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000635410753 430272609 /nfs/dbraw/zinc/27/26/09/430272609.db2.gz MANJFCFTAYFPMC-OAHLLOKOSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000635410753 430272616 /nfs/dbraw/zinc/27/26/16/430272616.db2.gz MANJFCFTAYFPMC-OAHLLOKOSA-N 2 1 320.481 2.633 20 0 DFADMP C[NH+](C)CCOc1cccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC000635460838 430285374 /nfs/dbraw/zinc/28/53/74/430285374.db2.gz ZKTUUAXSFJHLDE-UHFFFAOYSA-N 2 1 321.465 2.543 20 0 DFADMP CC[NH2+][C@H](C)C(=O)N(CC)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000638079621 430228907 /nfs/dbraw/zinc/22/89/07/430228907.db2.gz PASJAOLPKUOSCI-NUJGCVRESA-N 2 1 317.477 2.668 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCC(C)(C)C2)CC1 ZINC000542843147 430230368 /nfs/dbraw/zinc/23/03/68/430230368.db2.gz NOZHSPAUVBEOIH-CQSZACIVSA-N 2 1 316.449 2.598 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000638255562 430286576 /nfs/dbraw/zinc/28/65/76/430286576.db2.gz KYDBSKSYGSIQLG-UHFFFAOYSA-N 2 1 311.429 2.519 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000567748554 430287924 /nfs/dbraw/zinc/28/79/24/430287924.db2.gz XZMONDAWIPCEQF-RYUDHWBXSA-N 2 1 318.339 2.776 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000567748552 430288036 /nfs/dbraw/zinc/28/80/36/430288036.db2.gz XZMONDAWIPCEQF-NEPJUHHUSA-N 2 1 318.339 2.776 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCCC[NH+](C)C)C1 ZINC000582316888 430289477 /nfs/dbraw/zinc/28/94/77/430289477.db2.gz KJKURNXSFWCZGF-IYBDPMFKSA-N 2 1 311.514 2.591 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CC[NH+](C)C3)c2C1 ZINC000635483084 430290820 /nfs/dbraw/zinc/29/08/20/430290820.db2.gz NAHADFGMVOVCKE-CQSZACIVSA-N 2 1 301.434 2.693 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CC[NH+](C)C3)c2C1 ZINC000635483084 430290826 /nfs/dbraw/zinc/29/08/26/430290826.db2.gz NAHADFGMVOVCKE-CQSZACIVSA-N 2 1 301.434 2.693 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)C[C@H]3CC[N@H+](C)C3)c2C1 ZINC000635483084 430290831 /nfs/dbraw/zinc/29/08/31/430290831.db2.gz NAHADFGMVOVCKE-CQSZACIVSA-N 2 1 301.434 2.693 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)C[C@H]3CC[N@@H+](C)C3)c2C1 ZINC000635483084 430290835 /nfs/dbraw/zinc/29/08/35/430290835.db2.gz NAHADFGMVOVCKE-CQSZACIVSA-N 2 1 301.434 2.693 20 0 DFADMP Cc1[nH+]cc(CNc2cccc3c2OCC[C@H]3[NH+](C)C)n1C ZINC000567915953 430292648 /nfs/dbraw/zinc/29/26/48/430292648.db2.gz DBCNHUBONJTPLM-MRXNPFEDSA-N 2 1 300.406 2.726 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c2cccs2)CC1 ZINC000638287049 430294200 /nfs/dbraw/zinc/29/42/00/430294200.db2.gz RGMUMDIKMMJRMH-YYIAUSFCSA-N 2 1 319.518 2.672 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c2cccs2)CC1 ZINC000638287048 430294383 /nfs/dbraw/zinc/29/43/83/430294383.db2.gz RGMUMDIKMMJRMH-YVSFHVDLSA-N 2 1 319.518 2.672 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635514398 430296452 /nfs/dbraw/zinc/29/64/52/430296452.db2.gz NGXRBERXNOZPTM-OAHLLOKOSA-N 2 1 320.481 2.587 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635514398 430296454 /nfs/dbraw/zinc/29/64/54/430296454.db2.gz NGXRBERXNOZPTM-OAHLLOKOSA-N 2 1 320.481 2.587 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1ccc(F)c(F)c1 ZINC000638300376 430297523 /nfs/dbraw/zinc/29/75/23/430297523.db2.gz HQAQKYUVVMNCEN-LBPRGKRZSA-N 2 1 312.404 2.851 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(-c2ccc(C[NH3+])cc2)nn1 ZINC000641170090 430350144 /nfs/dbraw/zinc/35/01/44/430350144.db2.gz VOEWSRFUVXMQDU-QGZVFWFLSA-N 2 1 313.449 2.667 20 0 DFADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000582481432 430302691 /nfs/dbraw/zinc/30/26/91/430302691.db2.gz CBLHBFXOKXZKIN-IEBWSBKVSA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000582481432 430302695 /nfs/dbraw/zinc/30/26/95/430302695.db2.gz CBLHBFXOKXZKIN-IEBWSBKVSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000582481432 430302700 /nfs/dbraw/zinc/30/27/00/430302700.db2.gz CBLHBFXOKXZKIN-IEBWSBKVSA-N 3 1 303.494 2.875 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H]3CCCO3)C2)s1 ZINC000567994177 430303201 /nfs/dbraw/zinc/30/32/01/430303201.db2.gz FKNMJVLBEJQBTA-HZPDHXFCSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCO3)C2)s1 ZINC000567994177 430303207 /nfs/dbraw/zinc/30/32/07/430303207.db2.gz FKNMJVLBEJQBTA-HZPDHXFCSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCCO3)C2)s1 ZINC000567994177 430303209 /nfs/dbraw/zinc/30/32/09/430303209.db2.gz FKNMJVLBEJQBTA-HZPDHXFCSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)C[N@@H+](C)CCc2ccccc2)c1 ZINC000638364309 430317524 /nfs/dbraw/zinc/31/75/24/430317524.db2.gz GFERSJGVNKICGL-UHFFFAOYSA-N 2 1 311.429 2.567 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000568103735 430317926 /nfs/dbraw/zinc/31/79/26/430317926.db2.gz IYPFJCPNGVSHIV-DOTOQJQBSA-N 2 1 311.429 2.972 20 0 DFADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000638367031 430319306 /nfs/dbraw/zinc/31/93/06/430319306.db2.gz RQGJMPKPOLJOML-IXDOHACOSA-N 2 1 309.498 2.535 20 0 DFADMP OCCCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638376749 430322234 /nfs/dbraw/zinc/32/22/34/430322234.db2.gz LOGVYNNFCCTNKY-MSOLQXFVSA-N 2 1 318.461 2.554 20 0 DFADMP OCCCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638376749 430322238 /nfs/dbraw/zinc/32/22/38/430322238.db2.gz LOGVYNNFCCTNKY-MSOLQXFVSA-N 2 1 318.461 2.554 20 0 DFADMP COc1cc(C)c(C[N@H+](C)CCCc2c[nH+]cn2C)cc1OC ZINC000568169433 430324231 /nfs/dbraw/zinc/32/42/31/430324231.db2.gz JZJBYPPLXWHION-UHFFFAOYSA-N 2 1 317.433 2.810 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1OC ZINC000568169433 430324236 /nfs/dbraw/zinc/32/42/36/430324236.db2.gz JZJBYPPLXWHION-UHFFFAOYSA-N 2 1 317.433 2.810 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000568176244 430325558 /nfs/dbraw/zinc/32/55/58/430325558.db2.gz UZBANHKOWSPBTP-ROUUACIJSA-N 2 1 302.462 2.615 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169169 430325568 /nfs/dbraw/zinc/32/55/68/430325568.db2.gz CWUJPANUDFOFFN-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169169 430325573 /nfs/dbraw/zinc/32/55/73/430325573.db2.gz CWUJPANUDFOFFN-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169169 430325577 /nfs/dbraw/zinc/32/55/77/430325577.db2.gz CWUJPANUDFOFFN-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169169 430325579 /nfs/dbraw/zinc/32/55/79/430325579.db2.gz CWUJPANUDFOFFN-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169169 430325582 /nfs/dbraw/zinc/32/55/82/430325582.db2.gz CWUJPANUDFOFFN-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP C[C@@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[NH+]1CC(C)C1 ZINC000568184751 430327407 /nfs/dbraw/zinc/32/74/07/430327407.db2.gz HQHNVFHZTLHXQC-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000568191794 430329477 /nfs/dbraw/zinc/32/94/77/430329477.db2.gz SULDSZOCBVWJHX-CVEARBPZSA-N 2 1 317.477 2.572 20 0 DFADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638408585 430334377 /nfs/dbraw/zinc/33/43/77/430334377.db2.gz OQULNWFMUWAPNW-YVSFHVDLSA-N 2 1 323.525 2.780 20 0 DFADMP COCCOCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417390 430334724 /nfs/dbraw/zinc/33/47/24/430334724.db2.gz FTMOBQCYSQBZFU-MJGOQNOKSA-N 2 1 318.461 2.607 20 0 DFADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417390 430334728 /nfs/dbraw/zinc/33/47/28/430334728.db2.gz FTMOBQCYSQBZFU-MJGOQNOKSA-N 2 1 318.461 2.607 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000635652826 430337684 /nfs/dbraw/zinc/33/76/84/430337684.db2.gz SIVBFHYEQJRVSW-UHFFFAOYSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CSCc3ccccc32)CC1 ZINC000638424740 430338977 /nfs/dbraw/zinc/33/89/77/430338977.db2.gz FBHWSEHZIRKJDM-QGZVFWFLSA-N 2 1 320.502 2.799 20 0 DFADMP C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCc1cncn1C ZINC000582853680 430341417 /nfs/dbraw/zinc/34/14/17/430341417.db2.gz KCRNKUFWAVXZFY-AWEZNQCLSA-N 2 1 318.852 2.827 20 0 DFADMP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000582899477 430344758 /nfs/dbraw/zinc/34/47/58/430344758.db2.gz PHQXMHCGVAWRHN-CRAIPNDOSA-N 2 1 316.420 2.751 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638450784 430347328 /nfs/dbraw/zinc/34/73/28/430347328.db2.gz HMJOWOLUXXRLHY-ZWKOTPCHSA-N 2 1 301.478 2.834 20 0 DFADMP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000546573579 430354760 /nfs/dbraw/zinc/35/47/60/430354760.db2.gz BWUCZRAAAVOKPX-VQIMIIECSA-N 2 1 320.477 2.973 20 0 DFADMP CCCCCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546573579 430354768 /nfs/dbraw/zinc/35/47/68/430354768.db2.gz BWUCZRAAAVOKPX-VQIMIIECSA-N 2 1 320.477 2.973 20 0 DFADMP COC(=O)CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583051390 430358861 /nfs/dbraw/zinc/35/88/61/430358861.db2.gz MGXNIDCKFNZNHC-OAHLLOKOSA-N 2 1 324.490 2.763 20 0 DFADMP COC(=O)CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000583051390 430358865 /nfs/dbraw/zinc/35/88/65/430358865.db2.gz MGXNIDCKFNZNHC-OAHLLOKOSA-N 2 1 324.490 2.763 20 0 DFADMP COC(=O)CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000583051390 430358867 /nfs/dbraw/zinc/35/88/67/430358867.db2.gz MGXNIDCKFNZNHC-OAHLLOKOSA-N 2 1 324.490 2.763 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)c2ccccc21 ZINC000568499297 430363559 /nfs/dbraw/zinc/36/35/59/430363559.db2.gz FLFGVQZOIOGFAS-UXHICEINSA-N 2 1 323.440 2.758 20 0 DFADMP CCOC1CC(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000638522133 430366268 /nfs/dbraw/zinc/36/62/68/430366268.db2.gz XOUGKMUZELOJQL-HDYDNRTBSA-N 2 1 316.489 2.956 20 0 DFADMP CC[C@H](C)[C@@H](C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)OC ZINC000638534640 430370488 /nfs/dbraw/zinc/37/04/88/430370488.db2.gz YCXJNILVACTYER-RRQGHBQHSA-N 2 1 320.481 2.713 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638564272 430376333 /nfs/dbraw/zinc/37/63/33/430376333.db2.gz XQFNNUPIYKZREV-CRAIPNDOSA-N 2 1 317.477 2.675 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000568625981 430376443 /nfs/dbraw/zinc/37/64/43/430376443.db2.gz KBRCNLNNMJXXKG-AEFFLSMTSA-N 2 1 317.477 2.657 20 0 DFADMP COc1cc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000638566374 430377874 /nfs/dbraw/zinc/37/78/74/430377874.db2.gz HCNIYSGIOYGDLP-NVXWUHKLSA-N 2 1 305.466 2.731 20 0 DFADMP COc1cc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000638566375 430377942 /nfs/dbraw/zinc/37/79/42/430377942.db2.gz HCNIYSGIOYGDLP-RDJZCZTQSA-N 2 1 305.466 2.731 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccccc1F)C1CCCC1 ZINC000568659721 430379364 /nfs/dbraw/zinc/37/93/64/430379364.db2.gz ICYVYKOVUDJDEI-SFHVURJKSA-N 2 1 322.468 2.925 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccccc1F)C1CCCC1 ZINC000568659721 430379368 /nfs/dbraw/zinc/37/93/68/430379368.db2.gz ICYVYKOVUDJDEI-SFHVURJKSA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccccc1F)C1CCCC1 ZINC000568659721 430379372 /nfs/dbraw/zinc/37/93/72/430379372.db2.gz ICYVYKOVUDJDEI-SFHVURJKSA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccccc1F)C1CCCC1 ZINC000568659721 430379374 /nfs/dbraw/zinc/37/93/74/430379374.db2.gz ICYVYKOVUDJDEI-SFHVURJKSA-N 2 1 322.468 2.925 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638593843 430383509 /nfs/dbraw/zinc/38/35/09/430383509.db2.gz AINUCUAWSICGNX-BBWFWOEESA-N 2 1 323.525 2.924 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638593843 430383512 /nfs/dbraw/zinc/38/35/12/430383512.db2.gz AINUCUAWSICGNX-BBWFWOEESA-N 2 1 323.525 2.924 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635852028 430393187 /nfs/dbraw/zinc/39/31/87/430393187.db2.gz GVKPSKZFHWTUPT-UHFFFAOYSA-N 2 1 308.470 2.587 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532756 430402403 /nfs/dbraw/zinc/40/24/03/430402403.db2.gz QJORPKWGNJWRLH-RDJZCZTQSA-N 2 1 307.482 2.718 20 0 DFADMP CC[C@H](c1ccccc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000583568034 430408156 /nfs/dbraw/zinc/40/81/56/430408156.db2.gz UTTLWFWMSOSGJM-GOSISDBHSA-N 2 1 302.462 2.964 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000569249184 430436688 /nfs/dbraw/zinc/43/66/88/430436688.db2.gz WZSOJBSTCOCHFK-MSOLQXFVSA-N 2 1 317.477 2.799 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548061257 430442878 /nfs/dbraw/zinc/44/28/78/430442878.db2.gz WUZTYHRIKSSHRW-HNNXBMFYSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061257 430442884 /nfs/dbraw/zinc/44/28/84/430442884.db2.gz WUZTYHRIKSSHRW-HNNXBMFYSA-N 2 1 320.481 2.598 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064241 430443457 /nfs/dbraw/zinc/44/34/57/430443457.db2.gz DWKSSLKQPSVLMX-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]([N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000548113909 430447652 /nfs/dbraw/zinc/44/76/52/430447652.db2.gz OJPJQCYENZDPIN-RDJZCZTQSA-N 2 1 319.493 2.772 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000569401390 430449934 /nfs/dbraw/zinc/44/99/34/430449934.db2.gz PRRJLASIUWTYQA-LSDHHAIUSA-N 2 1 309.498 2.676 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000584047279 430453448 /nfs/dbraw/zinc/45/34/48/430453448.db2.gz FKEZEKGTJNUVLK-ROUUACIJSA-N 2 1 300.402 2.966 20 0 DFADMP C[NH2+]CCCC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850389 430454402 /nfs/dbraw/zinc/45/44/02/430454402.db2.gz DZFRYJUJRACAGK-GOSISDBHSA-N 2 1 317.477 2.547 20 0 DFADMP COC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000569474467 430456344 /nfs/dbraw/zinc/45/63/44/430456344.db2.gz GPHWAKUIOKCCOH-LJQANCHMSA-N 2 1 320.477 2.548 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000569473798 430457451 /nfs/dbraw/zinc/45/74/51/430457451.db2.gz WFNRCBTYIDGDFJ-MRXNPFEDSA-N 2 1 315.461 2.605 20 0 DFADMP C[C@H](CC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCCCC1 ZINC000641748241 430459695 /nfs/dbraw/zinc/45/96/95/430459695.db2.gz VYAYNZPXZVCIFJ-CYBMUJFWSA-N 2 1 302.422 2.623 20 0 DFADMP CO[C@H](C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)CC(C)C ZINC000638873095 430463834 /nfs/dbraw/zinc/46/38/34/430463834.db2.gz CNVHDEGXDLZGKM-KRWDZBQOSA-N 2 1 320.481 2.713 20 0 DFADMP Cc1cnccc1CC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000584348324 430475780 /nfs/dbraw/zinc/47/57/80/430475780.db2.gz MALUJLPHSMTBFC-IRXDYDNUSA-N 2 1 306.475 2.919 20 0 DFADMP CC(C)(C)[C@H](NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1cccs1 ZINC000641804207 430477890 /nfs/dbraw/zinc/47/78/90/430477890.db2.gz JNLCCMYFKWRPJE-VNHYZAJKSA-N 2 1 323.506 2.667 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641809289 430479929 /nfs/dbraw/zinc/47/99/29/430479929.db2.gz VROKMCFPHCBWHW-LEWSCRJBSA-N 2 1 309.841 2.691 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000641807822 430480266 /nfs/dbraw/zinc/48/02/66/430480266.db2.gz SBMDAWYBMGBBCC-AQUOVQTQSA-N 2 1 313.804 2.522 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(CC)CCC3)CC2)CC1 ZINC000569138525 430425830 /nfs/dbraw/zinc/42/58/30/430425830.db2.gz RCSFRACKPVTLGH-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1ccc2cc[nH+]c(N3C[C@H](C[NH3+])C4(C3)CCOCC4)c2c1 ZINC000583753333 430426466 /nfs/dbraw/zinc/42/64/66/430426466.db2.gz WLGMJDZUZNGOJX-INIZCTEOSA-N 2 1 311.429 2.735 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)C1 ZINC000641821670 430483038 /nfs/dbraw/zinc/48/30/38/430483038.db2.gz NZYHVLPQUJQARE-MHORFTMASA-N 2 1 322.493 2.697 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CCC4(CCCC4)O3)C2)C1 ZINC000641821671 430483232 /nfs/dbraw/zinc/48/32/32/430483232.db2.gz NZYHVLPQUJQARE-MLHJIOFPSA-N 2 1 322.493 2.697 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548716640 430495237 /nfs/dbraw/zinc/49/52/37/430495237.db2.gz QMOPNOZQSLINMU-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716640 430495241 /nfs/dbraw/zinc/49/52/41/430495241.db2.gz QMOPNOZQSLINMU-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCC[C@@H]2CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716640 430495244 /nfs/dbraw/zinc/49/52/44/430495244.db2.gz QMOPNOZQSLINMU-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000548721255 430495381 /nfs/dbraw/zinc/49/53/81/430495381.db2.gz LBKMTCIACUPXIM-HZPDHXFCSA-N 2 1 309.498 2.582 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000548748192 430498427 /nfs/dbraw/zinc/49/84/27/430498427.db2.gz KTFKITQEGYKBLG-CQSZACIVSA-N 2 1 320.481 2.704 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000548748192 430498432 /nfs/dbraw/zinc/49/84/32/430498432.db2.gz KTFKITQEGYKBLG-CQSZACIVSA-N 2 1 320.481 2.704 20 0 DFADMP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000639057344 430505185 /nfs/dbraw/zinc/50/51/85/430505185.db2.gz MUJISZUWOINFBB-WMZOPIPTSA-N 2 1 316.493 2.723 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCc2nccn2C1 ZINC000639078337 430515582 /nfs/dbraw/zinc/51/55/82/430515582.db2.gz ZLNZONILZDLJPN-ROUUACIJSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639078337 430515584 /nfs/dbraw/zinc/51/55/84/430515584.db2.gz ZLNZONILZDLJPN-ROUUACIJSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639078337 430515587 /nfs/dbraw/zinc/51/55/87/430515587.db2.gz ZLNZONILZDLJPN-ROUUACIJSA-N 2 1 324.472 2.904 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000642630961 430522978 /nfs/dbraw/zinc/52/29/78/430522978.db2.gz SHQHVKPJJNYCOC-SZMVWBNQSA-N 2 1 315.461 2.929 20 0 DFADMP CO[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000639125681 430533224 /nfs/dbraw/zinc/53/32/24/430533224.db2.gz ZIPAWXGVQYWHNC-ACBHZAAOSA-N 2 1 302.462 2.851 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639165386 430551004 /nfs/dbraw/zinc/55/10/04/430551004.db2.gz HMSRCTWTHJNAFH-MJGOQNOKSA-N 2 1 301.478 2.977 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639165386 430551009 /nfs/dbraw/zinc/55/10/09/430551009.db2.gz HMSRCTWTHJNAFH-MJGOQNOKSA-N 2 1 301.478 2.977 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639165385 430551197 /nfs/dbraw/zinc/55/11/97/430551197.db2.gz HMSRCTWTHJNAFH-HKUYNNGSSA-N 2 1 301.478 2.977 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639165385 430551199 /nfs/dbraw/zinc/55/11/99/430551199.db2.gz HMSRCTWTHJNAFH-HKUYNNGSSA-N 2 1 301.478 2.977 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639173058 430554291 /nfs/dbraw/zinc/55/42/91/430554291.db2.gz SORCOMQFYCRXAQ-NZSAHSFTSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639173058 430554295 /nfs/dbraw/zinc/55/42/95/430554295.db2.gz SORCOMQFYCRXAQ-NZSAHSFTSA-N 2 1 300.446 2.715 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cccn(C(F)F)c1=O ZINC000639174070 430555606 /nfs/dbraw/zinc/55/56/06/430555606.db2.gz NWYFCSFUFGFQFH-UHFFFAOYSA-N 2 1 315.408 2.797 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cccn(C(F)F)c1=O ZINC000639174070 430555608 /nfs/dbraw/zinc/55/56/08/430555608.db2.gz NWYFCSFUFGFQFH-UHFFFAOYSA-N 2 1 315.408 2.797 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(C)(C)n1cncn1 ZINC000639176393 430556257 /nfs/dbraw/zinc/55/62/57/430556257.db2.gz FVSFGUIUALXJIL-HNNXBMFYSA-N 2 1 318.469 2.573 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(C)(C)n1cncn1 ZINC000639176393 430556258 /nfs/dbraw/zinc/55/62/58/430556258.db2.gz FVSFGUIUALXJIL-HNNXBMFYSA-N 2 1 318.469 2.573 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cccc(NC(C)=O)c1 ZINC000639175932 430556469 /nfs/dbraw/zinc/55/64/69/430556469.db2.gz RPDLXMNNWYSHRZ-UHFFFAOYSA-N 2 1 303.450 2.953 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cccc(NC(C)=O)c1 ZINC000639175932 430556473 /nfs/dbraw/zinc/55/64/73/430556473.db2.gz RPDLXMNNWYSHRZ-UHFFFAOYSA-N 2 1 303.450 2.953 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@@H]21 ZINC000639180281 430558837 /nfs/dbraw/zinc/55/88/37/430558837.db2.gz WDOONZKUVDOURU-QRVBRYPASA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000639180281 430558843 /nfs/dbraw/zinc/55/88/43/430558843.db2.gz WDOONZKUVDOURU-QRVBRYPASA-N 2 1 302.462 2.660 20 0 DFADMP c1cc(C[NH+]2CCC3(CC3)CC2)ccc1C[NH+]1CCOCC1 ZINC000643251438 430567683 /nfs/dbraw/zinc/56/76/83/430567683.db2.gz LOAMHLYMPWCWAM-UHFFFAOYSA-N 2 1 300.446 2.895 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCn3ccnc3)C2)s1 ZINC000570686590 430568320 /nfs/dbraw/zinc/56/83/20/430568320.db2.gz FTOJDPMUXRKSFA-INIZCTEOSA-N 2 1 318.490 2.707 20 0 DFADMP Cc1ccc(CN2CC[C@@H](C[N@H+](C)CCn3ccnc3)C2)s1 ZINC000570686590 430568332 /nfs/dbraw/zinc/56/83/32/430568332.db2.gz FTOJDPMUXRKSFA-INIZCTEOSA-N 3 1 318.490 2.707 20 0 DFADMP Cc1ccc(CN2CC[C@@H](C[N@@H+](C)CCn3ccnc3)C2)s1 ZINC000570686590 430568336 /nfs/dbraw/zinc/56/83/36/430568336.db2.gz FTOJDPMUXRKSFA-INIZCTEOSA-N 3 1 318.490 2.707 20 0 DFADMP CC[C@H](C)[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639209965 430571687 /nfs/dbraw/zinc/57/16/87/430571687.db2.gz BVHXGFYEPPWCAX-HVVXOQGOSA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@H](C)[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639209965 430571688 /nfs/dbraw/zinc/57/16/88/430571688.db2.gz BVHXGFYEPPWCAX-HVVXOQGOSA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@H](C)[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639209965 430571692 /nfs/dbraw/zinc/57/16/92/430571692.db2.gz BVHXGFYEPPWCAX-HVVXOQGOSA-N 2 1 312.498 2.621 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206905 430572660 /nfs/dbraw/zinc/57/26/60/430572660.db2.gz CZXGPAPBDDPQKA-AZUAARDMSA-N 2 1 313.489 2.931 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206905 430572663 /nfs/dbraw/zinc/57/26/63/430572663.db2.gz CZXGPAPBDDPQKA-AZUAARDMSA-N 2 1 313.489 2.931 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206905 430572665 /nfs/dbraw/zinc/57/26/65/430572665.db2.gz CZXGPAPBDDPQKA-AZUAARDMSA-N 2 1 313.489 2.931 20 0 DFADMP Cc1sccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000552060540 430582948 /nfs/dbraw/zinc/58/29/48/430582948.db2.gz GJDHICWPWIVVEK-KRWDZBQOSA-N 2 1 307.507 2.657 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)CCO2 ZINC000552065204 430583807 /nfs/dbraw/zinc/58/38/07/430583807.db2.gz JTEUCXXDNVCZRE-NRSFXHEJSA-N 2 1 316.445 2.981 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2cnccc2C(C)(C)C)CC1 ZINC000639263544 430591236 /nfs/dbraw/zinc/59/12/36/430591236.db2.gz WDJUWKCEJYCNRJ-UHFFFAOYSA-N 2 1 319.493 2.704 20 0 DFADMP CC[C@@H](C(=O)OC)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000552441250 430597271 /nfs/dbraw/zinc/59/72/71/430597271.db2.gz UGYSRFJJRMAGKJ-KRWDZBQOSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000554727476 430651396 /nfs/dbraw/zinc/65/13/96/430651396.db2.gz DAZFLODWGIGSRG-ZNMIVQPWSA-N 2 1 303.450 2.948 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(Br)cn1 ZINC000554886009 430654105 /nfs/dbraw/zinc/65/41/05/430654105.db2.gz JILJKZZKUHZBOR-SMDDNHRTSA-N 2 1 312.255 2.616 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)cn1 ZINC000554886009 430654108 /nfs/dbraw/zinc/65/41/08/430654108.db2.gz JILJKZZKUHZBOR-SMDDNHRTSA-N 2 1 312.255 2.616 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)C2)[nH+]1 ZINC000639495980 430655149 /nfs/dbraw/zinc/65/51/49/430655149.db2.gz LGFYHEFZGIXQAL-JKSUJKDBSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)[nH+]1 ZINC000639495980 430655151 /nfs/dbraw/zinc/65/51/51/430655151.db2.gz LGFYHEFZGIXQAL-JKSUJKDBSA-N 2 1 303.450 2.939 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@H]1CNCc1ccccc1OCCCCO ZINC000639303275 430603384 /nfs/dbraw/zinc/60/33/84/430603384.db2.gz OMKPUSOIORAMER-KRWDZBQOSA-N 2 1 320.477 2.800 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H]1CNCc1ccccc1OCCCCO ZINC000639303275 430603388 /nfs/dbraw/zinc/60/33/88/430603388.db2.gz OMKPUSOIORAMER-KRWDZBQOSA-N 2 1 320.477 2.800 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457651 430603922 /nfs/dbraw/zinc/60/39/22/430603922.db2.gz UPSPIDAPJPWDFZ-IHPCNDPISA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457651 430603925 /nfs/dbraw/zinc/60/39/25/430603925.db2.gz UPSPIDAPJPWDFZ-IHPCNDPISA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000643457651 430603928 /nfs/dbraw/zinc/60/39/28/430603928.db2.gz UPSPIDAPJPWDFZ-IHPCNDPISA-N 3 1 315.505 2.876 20 0 DFADMP OCc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000643478192 430606478 /nfs/dbraw/zinc/60/64/78/430606478.db2.gz BJKQMBQZPQISHS-UXHICEINSA-N 2 1 310.441 2.804 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000643480370 430607512 /nfs/dbraw/zinc/60/75/12/430607512.db2.gz CJMAJVYWXOAPAF-NXJYUQPGSA-N 2 1 301.478 2.612 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000643480370 430607516 /nfs/dbraw/zinc/60/75/16/430607516.db2.gz CJMAJVYWXOAPAF-NXJYUQPGSA-N 3 1 301.478 2.612 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000643480370 430607519 /nfs/dbraw/zinc/60/75/19/430607519.db2.gz CJMAJVYWXOAPAF-NXJYUQPGSA-N 3 1 301.478 2.612 20 0 DFADMP CN(C(=O)CC[NH+](C)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000553120878 430608411 /nfs/dbraw/zinc/60/84/11/430608411.db2.gz CLHRZXXOHZJRST-JWTNVVGKSA-N 2 1 321.509 2.725 20 0 DFADMP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000553120878 430608415 /nfs/dbraw/zinc/60/84/15/430608415.db2.gz CLHRZXXOHZJRST-JWTNVVGKSA-N 2 1 321.509 2.725 20 0 DFADMP CN(C(=O)CC[N@@H+](C)C1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000553120878 430608419 /nfs/dbraw/zinc/60/84/19/430608419.db2.gz CLHRZXXOHZJRST-JWTNVVGKSA-N 2 1 321.509 2.725 20 0 DFADMP [NH3+]C[C@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000643511406 430611685 /nfs/dbraw/zinc/61/16/85/430611685.db2.gz FGAOGIRAXUTCSY-MOKVOYLWSA-N 2 1 308.388 2.720 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH2+]C3CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000643507391 430611761 /nfs/dbraw/zinc/61/17/61/430611761.db2.gz BNHKQVJNCVEPCT-UFYCRDLUSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523118 430612767 /nfs/dbraw/zinc/61/27/67/430612767.db2.gz WXFYGLRHSHZXGY-LWYYNNOASA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523118 430612771 /nfs/dbraw/zinc/61/27/71/430612771.db2.gz WXFYGLRHSHZXGY-LWYYNNOASA-N 3 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523118 430612772 /nfs/dbraw/zinc/61/27/72/430612772.db2.gz WXFYGLRHSHZXGY-LWYYNNOASA-N 3 1 313.489 2.914 20 0 DFADMP CO[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359406 430620106 /nfs/dbraw/zinc/62/01/06/430620106.db2.gz MGFABKKLWUWVGO-AYOQOUSVSA-N 2 1 302.462 2.769 20 0 DFADMP O[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC/C=C\c2ccc(F)cc2F)C1 ZINC000639370906 430623441 /nfs/dbraw/zinc/62/34/41/430623441.db2.gz FDIMBRSYPONBKF-CEHAMFCTSA-N 2 1 322.399 2.555 20 0 DFADMP O[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC/C=C\c2ccc(F)cc2F)C1 ZINC000639370906 430623445 /nfs/dbraw/zinc/62/34/45/430623445.db2.gz FDIMBRSYPONBKF-CEHAMFCTSA-N 2 1 322.399 2.555 20 0 DFADMP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)cc2Cl)C1 ZINC000639370463 430623778 /nfs/dbraw/zinc/62/37/78/430623778.db2.gz NPRFAWSNHHTXLR-VNQPRFMTSA-N 2 1 312.816 2.556 20 0 DFADMP O[C@@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000639370463 430623780 /nfs/dbraw/zinc/62/37/80/430623780.db2.gz NPRFAWSNHHTXLR-VNQPRFMTSA-N 2 1 312.816 2.556 20 0 DFADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C)CC1)CC3 ZINC000123042909 277941021 /nfs/dbraw/zinc/94/10/21/277941021.db2.gz NBMSDUVTKKMTIJ-AWEZNQCLSA-N 2 1 313.445 2.718 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639454893 430643900 /nfs/dbraw/zinc/64/39/00/430643900.db2.gz JRAUKIFZXTYFMO-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(CC3CC3)no2)CC1 ZINC000639554203 430669725 /nfs/dbraw/zinc/66/97/25/430669725.db2.gz JRJNMJNKZBMMRC-UHFFFAOYSA-N 2 1 306.454 2.576 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000277029093 278032271 /nfs/dbraw/zinc/03/22/71/278032271.db2.gz MGUZKZDNPZDILR-GDBMZVCRSA-N 2 1 311.429 2.601 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000365251488 278035900 /nfs/dbraw/zinc/03/59/00/278035900.db2.gz XFUWTTLTOAOCMO-YESZJQIVSA-N 2 1 300.446 2.769 20 0 DFADMP COc1ccccc1[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000358265240 278062815 /nfs/dbraw/zinc/06/28/15/278062815.db2.gz ZJAHSKOPMGUKIK-MOPGFXCFSA-N 2 1 318.461 2.583 20 0 DFADMP COc1ccccc1[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000358265240 278062817 /nfs/dbraw/zinc/06/28/17/278062817.db2.gz ZJAHSKOPMGUKIK-MOPGFXCFSA-N 2 1 318.461 2.583 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000377570461 278082040 /nfs/dbraw/zinc/08/20/40/278082040.db2.gz YUHIKRLFJUYHHN-OWCLPIDISA-N 2 1 318.465 2.558 20 0 DFADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479853 430688478 /nfs/dbraw/zinc/68/84/78/430688478.db2.gz NDYZNWMMPWVPRB-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479853 430688480 /nfs/dbraw/zinc/68/84/80/430688480.db2.gz NDYZNWMMPWVPRB-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479853 430688481 /nfs/dbraw/zinc/68/84/81/430688481.db2.gz NDYZNWMMPWVPRB-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000572483504 430688572 /nfs/dbraw/zinc/68/85/72/430688572.db2.gz BALPDXOCHPTONG-KRWDZBQOSA-N 2 1 311.429 2.831 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000572483504 430688573 /nfs/dbraw/zinc/68/85/73/430688573.db2.gz BALPDXOCHPTONG-KRWDZBQOSA-N 2 1 311.429 2.831 20 0 DFADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCC1 ZINC000373896852 278125769 /nfs/dbraw/zinc/12/57/69/278125769.db2.gz HZFQZJCWOFZUGX-OWCLPIDISA-N 2 1 312.523 2.751 20 0 DFADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000373896850 278125801 /nfs/dbraw/zinc/12/58/01/278125801.db2.gz HZFQZJCWOFZUGX-HRCADAONSA-N 2 1 312.523 2.751 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCN1CCCc2ccccc21 ZINC000556762181 430691608 /nfs/dbraw/zinc/69/16/08/430691608.db2.gz KCZYVNRMZPOKSV-UHFFFAOYSA-N 2 1 312.461 2.966 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCN1CCCc2ccccc21 ZINC000556762181 430691609 /nfs/dbraw/zinc/69/16/09/430691609.db2.gz KCZYVNRMZPOKSV-UHFFFAOYSA-N 2 1 312.461 2.966 20 0 DFADMP CC(C)(C)C1CCC(C[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262488381 278300657 /nfs/dbraw/zinc/30/06/57/278300657.db2.gz KSPIZLDJVAGCIC-ABHNRTSZSA-N 2 1 307.526 2.818 20 0 DFADMP C[C@@H]([N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1(C)CC1 ZINC000249293232 278303078 /nfs/dbraw/zinc/30/30/78/278303078.db2.gz LJYXDJTVCNMPSB-NVXWUHKLSA-N 2 1 317.477 2.526 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000572897880 430698061 /nfs/dbraw/zinc/69/80/61/430698061.db2.gz ZORPISYKWLIXMN-QGZVFWFLSA-N 2 1 303.450 2.634 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000572897880 430698062 /nfs/dbraw/zinc/69/80/62/430698062.db2.gz ZORPISYKWLIXMN-QGZVFWFLSA-N 2 1 303.450 2.634 20 0 DFADMP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000657705459 430710759 /nfs/dbraw/zinc/71/07/59/430710759.db2.gz YUKZKPDRRCERQH-ZWKOTPCHSA-N 2 1 300.446 2.544 20 0 DFADMP COc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657753601 430725065 /nfs/dbraw/zinc/72/50/65/430725065.db2.gz YGFPIBADAHNLLL-CRAIPNDOSA-N 2 1 318.461 2.642 20 0 DFADMP Cc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000657752850 430725886 /nfs/dbraw/zinc/72/58/86/430725886.db2.gz SQEPIGZHXULBCF-INIZCTEOSA-N 2 1 308.853 2.991 20 0 DFADMP Cc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000657750523 430726372 /nfs/dbraw/zinc/72/63/72/430726372.db2.gz ATFQKYXGWKPSBM-MRXNPFEDSA-N 2 1 308.853 2.991 20 0 DFADMP Cn1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771923 430733288 /nfs/dbraw/zinc/73/32/88/430733288.db2.gz PSLYEJNOOADCJD-GOSISDBHSA-N 2 1 324.472 2.812 20 0 DFADMP Cn1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771923 430733293 /nfs/dbraw/zinc/73/32/93/430733293.db2.gz PSLYEJNOOADCJD-GOSISDBHSA-N 2 1 324.472 2.812 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000644513143 430739057 /nfs/dbraw/zinc/73/90/57/430739057.db2.gz POQQFRMUOZKKRA-LEWJYISDSA-N 2 1 324.468 2.626 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000644513143 430739061 /nfs/dbraw/zinc/73/90/61/430739061.db2.gz POQQFRMUOZKKRA-LEWJYISDSA-N 2 1 324.468 2.626 20 0 DFADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644513249 430739081 /nfs/dbraw/zinc/73/90/81/430739081.db2.gz FNFCRAHDYRMITK-FXAWDEMLSA-N 2 1 312.457 2.873 20 0 DFADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644513249 430739086 /nfs/dbraw/zinc/73/90/86/430739086.db2.gz FNFCRAHDYRMITK-FXAWDEMLSA-N 2 1 312.457 2.873 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1 ZINC000657803799 430741362 /nfs/dbraw/zinc/74/13/62/430741362.db2.gz SUOGNNCCKRPARE-LJQANCHMSA-N 2 1 318.461 2.566 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1COC3(CCC3)C1)C2 ZINC000657827020 430745414 /nfs/dbraw/zinc/74/54/14/430745414.db2.gz KPRMOJNDJCUTCL-GOSISDBHSA-N 2 1 300.446 2.736 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1COC3(CCC3)C1)C2 ZINC000657827020 430745419 /nfs/dbraw/zinc/74/54/19/430745419.db2.gz KPRMOJNDJCUTCL-GOSISDBHSA-N 2 1 300.446 2.736 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000644660093 430783398 /nfs/dbraw/zinc/78/33/98/430783398.db2.gz GSKFACQBJYAJOS-HOTGVXAUSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000644660093 430783402 /nfs/dbraw/zinc/78/34/02/430783402.db2.gz GSKFACQBJYAJOS-HOTGVXAUSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@@]1(C)c1ccccc1 ZINC000644574670 430756181 /nfs/dbraw/zinc/75/61/81/430756181.db2.gz BIKRMGRTTZOUGD-HKBOAZHASA-N 2 1 324.468 2.799 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@@]1(C)c1ccccc1 ZINC000644574670 430756182 /nfs/dbraw/zinc/75/61/82/430756182.db2.gz BIKRMGRTTZOUGD-HKBOAZHASA-N 2 1 324.468 2.799 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657875775 430759962 /nfs/dbraw/zinc/75/99/62/430759962.db2.gz PFUWANAHESPXNT-KMFMINBZSA-N 2 1 310.869 2.878 20 0 DFADMP COC1([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCC1 ZINC000657901378 430763835 /nfs/dbraw/zinc/76/38/35/430763835.db2.gz RSLHAGRPGHBKGD-AWEZNQCLSA-N 2 1 318.465 2.609 20 0 DFADMP CC(C)[C@H]1[N@@H+](C[C@@H](O)CN(C)Cc2ccccc2)CC12CCC2 ZINC000644608576 430767543 /nfs/dbraw/zinc/76/75/43/430767543.db2.gz OVETXTDTZGKMCT-RBUKOAKNSA-N 2 1 316.489 2.990 20 0 DFADMP CC[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644625269 430773619 /nfs/dbraw/zinc/77/36/19/430773619.db2.gz ISVPXOWAANEVGR-CABCVRRESA-N 2 1 318.383 2.800 20 0 DFADMP CC[C@H](CC(F)(F)F)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644625269 430773623 /nfs/dbraw/zinc/77/36/23/430773623.db2.gz ISVPXOWAANEVGR-CABCVRRESA-N 2 1 318.383 2.800 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC2)C1 ZINC000358380094 278514902 /nfs/dbraw/zinc/51/49/02/278514902.db2.gz WPGOVEGUVINGJI-VHDGCEQUSA-N 2 1 322.415 2.932 20 0 DFADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+](C1CC1)C1COC1 ZINC000648606473 430836949 /nfs/dbraw/zinc/83/69/49/430836949.db2.gz RKCQKQYWGWZBAI-UHFFFAOYSA-N 2 1 316.445 2.524 20 0 DFADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+](C1CC1)C1COC1 ZINC000648606473 430836951 /nfs/dbraw/zinc/83/69/51/430836951.db2.gz RKCQKQYWGWZBAI-UHFFFAOYSA-N 2 1 316.445 2.524 20 0 DFADMP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658135959 430821088 /nfs/dbraw/zinc/82/10/88/430821088.db2.gz FXTBNZGOGBGGMH-HNAYVOBHSA-N 2 1 302.462 2.922 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)C1 ZINC000658136329 430821108 /nfs/dbraw/zinc/82/11/08/430821108.db2.gz HVCJOZWDBMQEPW-ZWKOTPCHSA-N 2 1 320.502 2.629 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)C1 ZINC000658139313 430822554 /nfs/dbraw/zinc/82/25/54/430822554.db2.gz QNARDTOKSQPNMJ-ZWKOTPCHSA-N 2 1 300.446 2.676 20 0 DFADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658139901 430823467 /nfs/dbraw/zinc/82/34/67/430823467.db2.gz NZGSJBWPMHILRD-RBUKOAKNSA-N 2 1 302.462 2.777 20 0 DFADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000648586035 430830019 /nfs/dbraw/zinc/83/00/19/430830019.db2.gz WNMNVQVFNXWJFM-QGZVFWFLSA-N 2 1 307.507 2.657 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000644666593 430784794 /nfs/dbraw/zinc/78/47/94/430784794.db2.gz PMMNJRDSKILWRG-MOPGFXCFSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H](C1CC1)C1CCC1 ZINC000644666593 430784798 /nfs/dbraw/zinc/78/47/98/430784798.db2.gz PMMNJRDSKILWRG-MOPGFXCFSA-N 2 1 302.462 2.648 20 0 DFADMP Fc1cc2c(c(F)c1F)[C@@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000648442444 430789537 /nfs/dbraw/zinc/78/95/37/430789537.db2.gz ZSKMQENVMSPDLS-PWSUYJOCSA-N 2 1 307.319 2.892 20 0 DFADMP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCCn3nccc32)[C@H](c2ccccc2)C1 ZINC000658041810 430791814 /nfs/dbraw/zinc/79/18/14/430791814.db2.gz IRVMXVZZMCLNMB-SQNIBIBYSA-N 2 1 310.445 2.653 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCCn3nccc32)[C@H](c2ccccc2)C1 ZINC000658041810 430791819 /nfs/dbraw/zinc/79/18/19/430791819.db2.gz IRVMXVZZMCLNMB-SQNIBIBYSA-N 2 1 310.445 2.653 20 0 DFADMP COC[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)OC ZINC000658084300 430803654 /nfs/dbraw/zinc/80/36/54/430803654.db2.gz IGJKLHURCBXXIC-YTQUADARSA-N 2 1 320.477 2.538 20 0 DFADMP C[C@]1(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1(F)F ZINC000658221673 430845163 /nfs/dbraw/zinc/84/51/63/430845163.db2.gz OENOROAGICIISC-CABCVRRESA-N 2 1 302.409 2.655 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000658266228 430856606 /nfs/dbraw/zinc/85/66/06/430856606.db2.gz GMSYVRJHVSRYRK-BHYGNILZSA-N 2 1 302.466 2.650 20 0 DFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC(C)(C)CO ZINC000648690236 430858594 /nfs/dbraw/zinc/85/85/94/430858594.db2.gz TXEOVBCXKKRCSF-UHFFFAOYSA-N 2 1 320.477 2.612 20 0 DFADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000665235870 430863861 /nfs/dbraw/zinc/86/38/61/430863861.db2.gz BJDRXYVMWJIOKJ-FGTMMUONSA-N 2 1 314.477 2.692 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000665237780 430864886 /nfs/dbraw/zinc/86/48/86/430864886.db2.gz JTXXYLRYKONWML-LBPRGKRZSA-N 2 1 315.417 2.717 20 0 DFADMP N[C@@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240635 430865544 /nfs/dbraw/zinc/86/55/44/430865544.db2.gz PMNUWMQYJVLLJB-RTBURBONSA-N 2 1 316.493 2.543 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665249740 430868010 /nfs/dbraw/zinc/86/80/10/430868010.db2.gz YFQXXDRYSLSUGW-CYBMUJFWSA-N 2 1 316.449 2.893 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCOC[C@@H]2C)cc1 ZINC000665254996 430870408 /nfs/dbraw/zinc/87/04/08/430870408.db2.gz GCFGMIATQSQTFB-FZDIXFNVSA-N 2 1 318.461 2.545 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCO[C@H](C)C2)cc1 ZINC000665255010 430871117 /nfs/dbraw/zinc/87/11/17/430871117.db2.gz GIEDJYKIKDVNJP-JZGRTCEGSA-N 2 1 318.461 2.688 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000648733645 430874206 /nfs/dbraw/zinc/87/42/06/430874206.db2.gz BOWIUWQQLAHHIQ-ARFHVFGLSA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000648733645 430874208 /nfs/dbraw/zinc/87/42/08/430874208.db2.gz BOWIUWQQLAHHIQ-ARFHVFGLSA-N 2 1 320.481 2.776 20 0 DFADMP Cc1ccc2oc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)cc2c1 ZINC000665261930 430874581 /nfs/dbraw/zinc/87/45/81/430874581.db2.gz ORPWEWLBTXKJJH-KURKYZTESA-N 2 1 314.429 2.988 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@H](C)C1 ZINC000658327217 430877610 /nfs/dbraw/zinc/87/76/10/430877610.db2.gz NGVYKPIKEDHIFX-AEFFLSMTSA-N 2 1 308.466 2.939 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H](CNC3CC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665277068 430878038 /nfs/dbraw/zinc/87/80/38/430878038.db2.gz SAMAHILHUHSLHM-GOSISDBHSA-N 3 1 313.489 2.630 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665277068 430878042 /nfs/dbraw/zinc/87/80/42/430878042.db2.gz SAMAHILHUHSLHM-GOSISDBHSA-N 3 1 313.489 2.630 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+]C3CC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665277068 430878046 /nfs/dbraw/zinc/87/80/46/430878046.db2.gz SAMAHILHUHSLHM-GOSISDBHSA-N 3 1 313.489 2.630 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277240 430879567 /nfs/dbraw/zinc/87/95/67/430879567.db2.gz XERGCUJGLPMFGV-QRVBRYPASA-N 3 1 313.489 2.758 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000648752676 430880664 /nfs/dbraw/zinc/88/06/64/430880664.db2.gz GVLIZSKHAQGNLG-OAHLLOKOSA-N 2 1 320.481 2.633 20 0 DFADMP Clc1ccccc1C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCO1 ZINC000665280229 430881073 /nfs/dbraw/zinc/88/10/73/430881073.db2.gz WHQIEIAQPDFHSO-KJFXSAIASA-N 2 1 320.864 2.772 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000648755242 430882017 /nfs/dbraw/zinc/88/20/17/430882017.db2.gz UXHQBBMSVSNBBK-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000648755242 430882021 /nfs/dbraw/zinc/88/20/21/430882021.db2.gz UXHQBBMSVSNBBK-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C2CCC2)C1 ZINC000665286390 430882840 /nfs/dbraw/zinc/88/28/40/430882840.db2.gz KONUGKTXEGMMQD-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C2CCC2)C1 ZINC000665286390 430882844 /nfs/dbraw/zinc/88/28/44/430882844.db2.gz KONUGKTXEGMMQD-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665286390 430882849 /nfs/dbraw/zinc/88/28/49/430882849.db2.gz KONUGKTXEGMMQD-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665286390 430882854 /nfs/dbraw/zinc/88/28/54/430882854.db2.gz KONUGKTXEGMMQD-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283471 430883022 /nfs/dbraw/zinc/88/30/22/430883022.db2.gz OKBHXZDABYEOQX-MFKMUULPSA-N 2 1 302.340 2.905 20 0 DFADMP OCC1CC([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658355727 430884717 /nfs/dbraw/zinc/88/47/17/430884717.db2.gz JGYNCLVJVAUWGX-KPZODNFCSA-N 2 1 314.473 2.648 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)on1 ZINC000665298844 430888331 /nfs/dbraw/zinc/88/83/31/430888331.db2.gz AUJPMYHSXDCTHZ-CHWSQXEVSA-N 2 1 301.390 2.710 20 0 DFADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658190034 430838726 /nfs/dbraw/zinc/83/87/26/430838726.db2.gz GNTPSLVLIJUBLJ-NCXUSEDFSA-N 2 1 302.462 2.790 20 0 DFADMP C(C1CC1)[NH+]1CCC(N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658230346 430844657 /nfs/dbraw/zinc/84/46/57/430844657.db2.gz YMQMXWIZDBMLSH-SFHVURJKSA-N 2 1 305.510 2.857 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC(F)(F)F ZINC000665301161 430890749 /nfs/dbraw/zinc/89/07/49/430890749.db2.gz PNRXVECQQZXSEF-XQQFMLRXSA-N 2 1 308.388 2.712 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC1CC[NH+](CC)CC1 ZINC000648796698 430895286 /nfs/dbraw/zinc/89/52/86/430895286.db2.gz NGZXXSMJAACRHJ-OAHLLOKOSA-N 2 1 320.481 2.635 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000651866834 430898221 /nfs/dbraw/zinc/89/82/21/430898221.db2.gz SOCRIFHROXLQJQ-UHFFFAOYSA-N 2 1 300.450 2.940 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000651866834 430898228 /nfs/dbraw/zinc/89/82/28/430898228.db2.gz SOCRIFHROXLQJQ-UHFFFAOYSA-N 2 1 300.450 2.940 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)C1 ZINC000655130786 430905979 /nfs/dbraw/zinc/90/59/79/430905979.db2.gz YOEJJDQNPAXOGX-GUYCJALGSA-N 2 1 301.434 2.516 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000648837164 430908289 /nfs/dbraw/zinc/90/82/89/430908289.db2.gz DWRIAYMHIWUYLQ-FHERZECASA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000648860071 430918236 /nfs/dbraw/zinc/91/82/36/430918236.db2.gz UNWXIQBQDCMJEV-HOTGVXAUSA-N 2 1 320.481 2.777 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648875767 430922003 /nfs/dbraw/zinc/92/20/03/430922003.db2.gz GFGDNLKWVNNEOD-OAHLLOKOSA-N 2 1 308.470 2.587 20 0 DFADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCCOC1 ZINC000651948879 430923803 /nfs/dbraw/zinc/92/38/03/430923803.db2.gz YXPHKVVZJPOWER-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000648881265 430924452 /nfs/dbraw/zinc/92/44/52/430924452.db2.gz SFROYHZVIVYODA-HOCLYGCPSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000648881265 430924456 /nfs/dbraw/zinc/92/44/56/430924456.db2.gz SFROYHZVIVYODA-HOCLYGCPSA-N 2 1 318.465 2.530 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H](C)C1 ZINC000651966329 430928902 /nfs/dbraw/zinc/92/89/02/430928902.db2.gz DMRMPWOWBMJOSC-RANZSIQMSA-N 2 1 303.450 2.622 20 0 DFADMP CCCN(CC[NH+]1CCCC1)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648901203 430930716 /nfs/dbraw/zinc/93/07/16/430930716.db2.gz STVUEFAYIRMASM-INIZCTEOSA-N 2 1 320.481 2.731 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCCCC[NH+]1CCCC1 ZINC000648914406 430936694 /nfs/dbraw/zinc/93/66/94/430936694.db2.gz CIMWLQREVAXIHT-INIZCTEOSA-N 2 1 320.481 2.779 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659024273 430944813 /nfs/dbraw/zinc/94/48/13/430944813.db2.gz ZGKXWOTXQAFURB-AWEZNQCLSA-N 2 1 318.465 2.696 20 0 DFADMP CC(C)C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000652176733 430979430 /nfs/dbraw/zinc/97/94/30/430979430.db2.gz OXBDZWJUVKNHLH-GOSISDBHSA-N 2 1 308.441 2.959 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000662150305 430980588 /nfs/dbraw/zinc/98/05/88/430980588.db2.gz USILXXJXYCQFKP-AMGQUURNSA-N 2 1 300.446 2.621 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN([C@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000662154069 430981658 /nfs/dbraw/zinc/98/16/58/430981658.db2.gz WDEXUABVTTXNJO-KDOFPFPSSA-N 2 1 320.864 2.858 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN(Cc3cccc(C(F)F)c3)CC2)C1 ZINC000662152324 430981864 /nfs/dbraw/zinc/98/18/64/430981864.db2.gz RPYGNZDBXDFDIG-MRXNPFEDSA-N 2 1 310.388 2.655 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000652222007 430992089 /nfs/dbraw/zinc/99/20/89/430992089.db2.gz CJZLAQNIRQGTCQ-INIZCTEOSA-N 2 1 315.465 2.896 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@]3(CC3(F)F)C2)cc1 ZINC000652062562 430951096 /nfs/dbraw/zinc/95/10/96/430951096.db2.gz OFCSBOLJCUVMCR-MRXNPFEDSA-N 2 1 310.388 2.858 20 0 DFADMP Cc1cc(C)n([C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662263201 431021323 /nfs/dbraw/zinc/02/13/23/431021323.db2.gz KXZZIYAVECJPIT-IBGZPJMESA-N 2 1 324.472 2.983 20 0 DFADMP CO[C@@H](C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264841 431023065 /nfs/dbraw/zinc/02/30/65/431023065.db2.gz SPAAUSDKYOBMRF-MOPGFXCFSA-N 2 1 317.477 2.841 20 0 DFADMP CO[C@@H](C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264841 431023068 /nfs/dbraw/zinc/02/30/68/431023068.db2.gz SPAAUSDKYOBMRF-MOPGFXCFSA-N 2 1 317.477 2.841 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)on2)cc1 ZINC000662267709 431023412 /nfs/dbraw/zinc/02/34/12/431023412.db2.gz YBIAWLKUALQFBC-RRQGHBQHSA-N 2 1 313.401 2.519 20 0 DFADMP CC[C@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339450 431024900 /nfs/dbraw/zinc/02/49/00/431024900.db2.gz VZNWDYJMAONKDE-VQTJNVASSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339450 431024903 /nfs/dbraw/zinc/02/49/03/431024903.db2.gz VZNWDYJMAONKDE-VQTJNVASSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339450 431024910 /nfs/dbraw/zinc/02/49/10/431024910.db2.gz VZNWDYJMAONKDE-VQTJNVASSA-N 2 1 313.489 2.781 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000662267713 431025890 /nfs/dbraw/zinc/02/58/90/431025890.db2.gz YBIAWLKUALQFBC-XKQJLSEDSA-N 2 1 313.401 2.519 20 0 DFADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000652336862 431025897 /nfs/dbraw/zinc/02/58/97/431025897.db2.gz IJRLXBGAEFAUOY-VQTJNVASSA-N 2 1 310.441 2.605 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000662267250 431026177 /nfs/dbraw/zinc/02/61/77/431026177.db2.gz TUTRMEXGTFXAOJ-GXTWGEPZSA-N 2 1 301.390 2.519 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)C[NH2+]CC2 ZINC000652340860 431026285 /nfs/dbraw/zinc/02/62/85/431026285.db2.gz JRSYSIYUVVZUIX-RBUKOAKNSA-N 3 1 313.489 2.544 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCSc2ccc(F)cc2)CC12CCOCC2 ZINC000662272048 431027512 /nfs/dbraw/zinc/02/75/12/431027512.db2.gz CACFJGAWJYEWFS-CQSZACIVSA-N 2 1 324.465 2.605 20 0 DFADMP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)no1 ZINC000652350297 431027663 /nfs/dbraw/zinc/02/76/63/431027663.db2.gz QYHKTYAQYIVGAP-DZKIICNBSA-N 2 1 321.465 2.690 20 0 DFADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)no1 ZINC000652350297 431027668 /nfs/dbraw/zinc/02/76/68/431027668.db2.gz QYHKTYAQYIVGAP-DZKIICNBSA-N 2 1 321.465 2.690 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC000652350268 431028049 /nfs/dbraw/zinc/02/80/49/431028049.db2.gz OQZTUGMZHNMKLX-MGPQQGTHSA-N 2 1 308.388 2.937 20 0 DFADMP Cn1c[nH+]cc1CCCN1CC[NH2+]C[C@@H]1c1cccc(Cl)c1 ZINC000662272234 431028609 /nfs/dbraw/zinc/02/86/09/431028609.db2.gz MGXIVMSVICAGRN-QGZVFWFLSA-N 2 1 318.852 2.653 20 0 DFADMP Cn1c[nH+]cc1CCCN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000662273708 431030057 /nfs/dbraw/zinc/03/00/57/431030057.db2.gz YSUJOADRCOHRCL-KRWDZBQOSA-N 2 1 318.852 2.653 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353196 431030235 /nfs/dbraw/zinc/03/02/35/431030235.db2.gz OXNIYUXSERISFD-FUHWJXTLSA-N 2 1 306.450 2.627 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354829 431030515 /nfs/dbraw/zinc/03/05/15/431030515.db2.gz JMRIXBMAMBBRLN-CRAIPNDOSA-N 2 1 306.450 2.661 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652353341 431031397 /nfs/dbraw/zinc/03/13/97/431031397.db2.gz AKAMWRPWRADWCA-RDJZCZTQSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1 ZINC000652353341 431031401 /nfs/dbraw/zinc/03/14/01/431031401.db2.gz AKAMWRPWRADWCA-RDJZCZTQSA-N 2 1 303.450 2.691 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCCC2CCOCC2)C1 ZINC000652363536 431032692 /nfs/dbraw/zinc/03/26/92/431032692.db2.gz HEWXYDHXTYJBSZ-GUDVDZBRSA-N 2 1 324.509 2.944 20 0 DFADMP c1ccc(CCC[C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283565 431032854 /nfs/dbraw/zinc/03/28/54/431032854.db2.gz AONOQTKDXBDXPW-OALUTQOASA-N 2 1 314.473 2.995 20 0 DFADMP Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362860 431033060 /nfs/dbraw/zinc/03/30/60/431033060.db2.gz RKCBCEAYKUTCAX-GUDVDZBRSA-N 2 1 302.462 2.898 20 0 DFADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297800 431037134 /nfs/dbraw/zinc/03/71/34/431037134.db2.gz RYJBCORMPWHXJW-SJLPKXTDSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295785 431037347 /nfs/dbraw/zinc/03/73/47/431037347.db2.gz UDSPATCBLKRBID-RDJZCZTQSA-N 2 1 315.461 2.725 20 0 DFADMP FC(F)(F)c1ccnc([C@H]2CCC[N@@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000662306060 431040675 /nfs/dbraw/zinc/04/06/75/431040675.db2.gz WPDBGDYHSJNZIP-NWDGAFQWSA-N 2 1 314.355 2.632 20 0 DFADMP FC(F)(F)c1ccnc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)n1 ZINC000662306060 431040678 /nfs/dbraw/zinc/04/06/78/431040678.db2.gz WPDBGDYHSJNZIP-NWDGAFQWSA-N 2 1 314.355 2.632 20 0 DFADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315748 431044013 /nfs/dbraw/zinc/04/40/13/431044013.db2.gz SQOXCBANQUQIFJ-BRWVUGGUSA-N 2 1 311.514 2.719 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccccc2F)[C@@H]1CCC[NH3+] ZINC000662313701 431044086 /nfs/dbraw/zinc/04/40/86/431044086.db2.gz XJHDZDWDVIWQAX-CZUORRHYSA-N 2 1 307.413 2.604 20 0 DFADMP C[C@@H]1CCC[C@@H](NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])[C@@H]1C ZINC000662313703 431044940 /nfs/dbraw/zinc/04/49/40/431044940.db2.gz XLRGHKPQPWXCKV-DUQPFJRNSA-N 2 1 323.525 2.767 20 0 DFADMP Cc1ccccc1OCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662323868 431046910 /nfs/dbraw/zinc/04/69/10/431046910.db2.gz SLZAYXZZYSIGIF-GOSISDBHSA-N 2 1 320.477 2.807 20 0 DFADMP Cc1ccccc1CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319337 431047310 /nfs/dbraw/zinc/04/73/10/431047310.db2.gz HQTBLKFHRQKCDM-IBGZPJMESA-N 2 1 304.478 2.970 20 0 DFADMP COc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1C ZINC000662324514 431047673 /nfs/dbraw/zinc/04/76/73/431047673.db2.gz XGQOLSFHASEXLT-KRWDZBQOSA-N 2 1 306.450 2.546 20 0 DFADMP COc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)ccc1C ZINC000662324514 431047677 /nfs/dbraw/zinc/04/76/77/431047677.db2.gz XGQOLSFHASEXLT-KRWDZBQOSA-N 2 1 306.450 2.546 20 0 DFADMP c1cc2c(cc1C[N@@H+]1C[C@]34COC[C@@]3(C1)CCCC4)C[NH2+]CC2 ZINC000662326875 431049197 /nfs/dbraw/zinc/04/91/97/431049197.db2.gz FYMDUGRYFWWMOY-BGYRXZFFSA-N 2 1 312.457 2.725 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662352419 431055625 /nfs/dbraw/zinc/05/56/25/431055625.db2.gz VBRHFPCARVOMLH-CRAIPNDOSA-N 2 1 315.461 2.602 20 0 DFADMP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000649293357 431057378 /nfs/dbraw/zinc/05/73/78/431057378.db2.gz OFVZOGGUMXFXJK-IOASZLSFSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000649293357 431057384 /nfs/dbraw/zinc/05/73/84/431057384.db2.gz OFVZOGGUMXFXJK-IOASZLSFSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@H]1C[NH3+] ZINC000649288741 431058404 /nfs/dbraw/zinc/05/84/04/431058404.db2.gz DCEUJDZYRDWUEZ-YJBOKZPZSA-N 2 1 317.477 2.518 20 0 DFADMP C[N@@H+](CCN1CCC[C@@H]1[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000649296963 431060899 /nfs/dbraw/zinc/06/08/99/431060899.db2.gz VIHGIIDKFIERQZ-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](CCN1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000649296963 431060903 /nfs/dbraw/zinc/06/09/03/431060903.db2.gz VIHGIIDKFIERQZ-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](CCN1CCC[C@@H]1[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000649296963 431060908 /nfs/dbraw/zinc/06/09/08/431060908.db2.gz VIHGIIDKFIERQZ-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649311336 431063461 /nfs/dbraw/zinc/06/34/61/431063461.db2.gz IWMCCJDODVHXBF-CVEARBPZSA-N 2 1 309.498 2.617 20 0 DFADMP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000649309946 431063608 /nfs/dbraw/zinc/06/36/08/431063608.db2.gz LPAFZZSGEHZLGW-CZUORRHYSA-N 2 1 323.868 2.576 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3CCC([NH3+])CC3)c2C1 ZINC000649312960 431064603 /nfs/dbraw/zinc/06/46/03/431064603.db2.gz PPELMIXIIVAWSF-UHFFFAOYSA-N 2 1 301.434 2.868 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)C3CCC([NH3+])CC3)c2C1 ZINC000649312960 431064608 /nfs/dbraw/zinc/06/46/08/431064608.db2.gz PPELMIXIIVAWSF-UHFFFAOYSA-N 2 1 301.434 2.868 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H]([NH3+])[C@H](C)C3)on2)cc1 ZINC000662243251 431013992 /nfs/dbraw/zinc/01/39/92/431013992.db2.gz HEFBAZZEHXUKOI-WBMJQRKESA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H]([NH3+])[C@H](C)C3)on2)cc1 ZINC000662243251 431013996 /nfs/dbraw/zinc/01/39/96/431013996.db2.gz HEFBAZZEHXUKOI-WBMJQRKESA-N 2 1 301.390 2.519 20 0 DFADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662253832 431014591 /nfs/dbraw/zinc/01/45/91/431014591.db2.gz WZIZKQMHEJCNQF-ROUUACIJSA-N 2 1 300.446 2.961 20 0 DFADMP CC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H](C)c1cccc(OC)c1 ZINC000662252136 431015382 /nfs/dbraw/zinc/01/53/82/431015382.db2.gz KJEXOBLPSDWTMM-RHSMWYFYSA-N 2 1 304.434 2.599 20 0 DFADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250276 431015451 /nfs/dbraw/zinc/01/54/51/431015451.db2.gz CZCORYSBBLBCOD-BBRMVZONSA-N 2 1 306.837 2.998 20 0 DFADMP C[N@@H+](CCc1cccc2ccccc21)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252943 431015649 /nfs/dbraw/zinc/01/56/49/431015649.db2.gz DUWKVTGQCSGBGK-SFHVURJKSA-N 2 1 310.441 2.835 20 0 DFADMP c1ccc(C[C@H]2COCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662251535 431016268 /nfs/dbraw/zinc/01/62/68/431016268.db2.gz GOHSVMMSWHZCSA-FQEVSTJZSA-N 2 1 322.452 2.776 20 0 DFADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc21 ZINC000662252260 431016505 /nfs/dbraw/zinc/01/65/05/431016505.db2.gz NFVSEMOGRPQWBL-AEFFLSMTSA-N 2 1 300.446 2.907 20 0 DFADMP c1ccc(CC[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251108 431017286 /nfs/dbraw/zinc/01/72/86/431017286.db2.gz YWUUMXVSCNPRPH-ROUUACIJSA-N 2 1 300.446 2.605 20 0 DFADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252002 431017343 /nfs/dbraw/zinc/01/73/43/431017343.db2.gz HRCDNFCNAOUNPV-MRXNPFEDSA-N 2 1 324.852 2.562 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258043 431018850 /nfs/dbraw/zinc/01/88/50/431018850.db2.gz WHKYVLRIFQGJJM-BRWVUGGUSA-N 2 1 300.446 2.694 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1cccc(F)c1 ZINC000662256238 431019416 /nfs/dbraw/zinc/01/94/16/431019416.db2.gz HQQSCZHHDJIFFB-KBRIMQKVSA-N 2 1 304.409 2.730 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCc2cccc(Cl)c2C1 ZINC000666082561 431109405 /nfs/dbraw/zinc/10/94/05/431109405.db2.gz ONNLJZBKPGWPOM-OAHLLOKOSA-N 2 1 310.869 2.755 20 0 DFADMP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655747214 431112299 /nfs/dbraw/zinc/11/22/99/431112299.db2.gz CDYUZZJOBSYKPL-GBESFXJTSA-N 2 1 324.509 2.813 20 0 DFADMP COCCC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCCC1 ZINC000655755694 431117839 /nfs/dbraw/zinc/11/78/39/431117839.db2.gz IIRPBUAJRSUGSA-GOSISDBHSA-N 2 1 324.509 2.816 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000645942234 431121782 /nfs/dbraw/zinc/12/17/82/431121782.db2.gz ZVBZYRRCZNEBBK-IAGOWNOFSA-N 2 1 318.465 2.653 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649343946 431072474 /nfs/dbraw/zinc/07/24/74/431072474.db2.gz HSMWAZQETHCXEE-XJKSGUPXSA-N 2 1 323.868 2.530 20 0 DFADMP Cc1ccc(OCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655689018 431083650 /nfs/dbraw/zinc/08/36/50/431083650.db2.gz CUMUNKDOPYBMQD-LJQANCHMSA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)C1 ZINC000649382210 431083986 /nfs/dbraw/zinc/08/39/86/431083986.db2.gz WMWZOVHWOVQTIA-CVEARBPZSA-N 2 1 315.452 2.524 20 0 DFADMP CCc1cc(CCC[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)on1 ZINC000649501349 431125536 /nfs/dbraw/zinc/12/55/36/431125536.db2.gz HDIVOBNLDIZYBH-AWEZNQCLSA-N 2 1 302.422 2.561 20 0 DFADMP CCc1cc(CCC[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)on1 ZINC000649501349 431125543 /nfs/dbraw/zinc/12/55/43/431125543.db2.gz HDIVOBNLDIZYBH-AWEZNQCLSA-N 2 1 302.422 2.561 20 0 DFADMP CCCOc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655701329 431090303 /nfs/dbraw/zinc/09/03/03/431090303.db2.gz RYWULWJOVZVMQC-SFHVURJKSA-N 2 1 318.461 2.818 20 0 DFADMP C[C@@H]1C[C@H](N(C)C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000649413518 431094299 /nfs/dbraw/zinc/09/42/99/431094299.db2.gz CIBAFYHYFJLNCP-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP c1ccc2c(c1)CC[C@H]2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655711114 431094911 /nfs/dbraw/zinc/09/49/11/431094911.db2.gz GWJAZBPNKQJYAR-FUHWJXTLSA-N 2 1 300.446 2.559 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649414496 431095724 /nfs/dbraw/zinc/09/57/24/431095724.db2.gz CDGDNJCCLOXTAI-GOSISDBHSA-N 2 1 316.493 2.904 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)[nH+]1 ZINC000649414496 431095730 /nfs/dbraw/zinc/09/57/30/431095730.db2.gz CDGDNJCCLOXTAI-GOSISDBHSA-N 3 1 316.493 2.904 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)[nH+]1 ZINC000649414496 431095733 /nfs/dbraw/zinc/09/57/33/431095733.db2.gz CDGDNJCCLOXTAI-GOSISDBHSA-N 3 1 316.493 2.904 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000655718380 431097428 /nfs/dbraw/zinc/09/74/28/431097428.db2.gz MTKHDSGKFMLYRO-CZUORRHYSA-N 2 1 324.415 2.911 20 0 DFADMP CCO[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1CCCC1 ZINC000655718745 431098865 /nfs/dbraw/zinc/09/88/65/431098865.db2.gz LXZYDHHHWXVATR-RTBURBONSA-N 2 1 324.509 2.815 20 0 DFADMP CCN(C(=O)C[NH2+]C(C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662503818 431099582 /nfs/dbraw/zinc/09/95/82/431099582.db2.gz XWWBWKUZLATXOL-AEFFLSMTSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1nc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)sc1C ZINC000655723513 431102042 /nfs/dbraw/zinc/10/20/42/431102042.db2.gz KVAOCWHSGQLEIC-MRXNPFEDSA-N 2 1 323.506 2.535 20 0 DFADMP FC1(F)CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655734292 431104779 /nfs/dbraw/zinc/10/47/79/431104779.db2.gz DTLKQKRUJLQTHV-HUUCEWRRSA-N 2 1 302.409 2.797 20 0 DFADMP Clc1ccccc1OCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655736326 431107343 /nfs/dbraw/zinc/10/73/43/431107343.db2.gz DIDSBQFQRVVAIX-HNNXBMFYSA-N 2 1 324.852 2.562 20 0 DFADMP CC(C)N1CCCC[C@H]1C[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460671 431107449 /nfs/dbraw/zinc/10/74/49/431107449.db2.gz KBLODHVTGIUNID-SJORKVTESA-N 2 1 304.482 2.640 20 0 DFADMP CCc1cnccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655736454 431107706 /nfs/dbraw/zinc/10/77/06/431107706.db2.gz PPQOVJRAZSEGMW-QAPCUYQASA-N 2 1 317.477 2.938 20 0 DFADMP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655736453 431108015 /nfs/dbraw/zinc/10/80/15/431108015.db2.gz PPQOVJRAZSEGMW-MAUKXSAKSA-N 2 1 317.477 2.938 20 0 DFADMP C[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000662594081 431129003 /nfs/dbraw/zinc/12/90/03/431129003.db2.gz RJIMPXPNYQARDD-UXLLHSPISA-N 2 1 317.477 2.559 20 0 DFADMP FC1(F)CCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772543 431130109 /nfs/dbraw/zinc/13/01/09/431130109.db2.gz ODKGHFGSCSNMPR-DZGCQCFKSA-N 2 1 302.409 2.655 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000649501478 431126899 /nfs/dbraw/zinc/12/68/99/431126899.db2.gz LALRQNRXWHSRSL-ROUUACIJSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000649501478 431126904 /nfs/dbraw/zinc/12/69/04/431126904.db2.gz LALRQNRXWHSRSL-ROUUACIJSA-N 2 1 313.445 2.635 20 0 DFADMP C[C@@H]1CC(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000655765472 431127068 /nfs/dbraw/zinc/12/70/68/431127068.db2.gz GHMVLGASIKYGDN-GPMSIDNRSA-N 2 1 324.509 2.813 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277157657 279044522 /nfs/dbraw/zinc/04/45/22/279044522.db2.gz IZDBBMHKQHMCGI-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](CCCNC(=O)CC1CC[NH+](C)CC1)C1CCCCC1 ZINC000652756483 431128252 /nfs/dbraw/zinc/12/82/52/431128252.db2.gz INJNXAZJAXKDIN-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000655775545 431131869 /nfs/dbraw/zinc/13/18/69/431131869.db2.gz AOKKWXGJKPHENF-OAHLLOKOSA-N 2 1 300.450 2.776 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000659832000 431132351 /nfs/dbraw/zinc/13/23/51/431132351.db2.gz MPMDRJQSUHAYGP-IAGOWNOFSA-N 2 1 321.534 2.844 20 0 DFADMP C[C@@]1(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261954922 279159111 /nfs/dbraw/zinc/15/91/11/279159111.db2.gz GOUYMOYUXJIWNI-MAUKXSAKSA-N 2 1 304.409 2.720 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261954922 279159112 /nfs/dbraw/zinc/15/91/12/279159112.db2.gz GOUYMOYUXJIWNI-MAUKXSAKSA-N 2 1 304.409 2.720 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000662622168 431137478 /nfs/dbraw/zinc/13/74/78/431137478.db2.gz PULMNXGDRJAWLY-JKSUJKDBSA-N 2 1 317.477 2.702 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1)CC1CC1 ZINC000261978950 279177095 /nfs/dbraw/zinc/17/70/95/279177095.db2.gz IYSYZYGJMVMSID-LJQANCHMSA-N 3 1 307.526 2.820 20 0 DFADMP CC[N@H+](CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1)CC1CC1 ZINC000261978950 279177096 /nfs/dbraw/zinc/17/70/96/279177096.db2.gz IYSYZYGJMVMSID-LJQANCHMSA-N 2 1 307.526 2.820 20 0 DFADMP CC[N@@H+](CCC1CCN(C[C@]2(C)CC[NH2+]C2)CC1)CC1CC1 ZINC000261978950 279177099 /nfs/dbraw/zinc/17/70/99/279177099.db2.gz IYSYZYGJMVMSID-LJQANCHMSA-N 2 1 307.526 2.820 20 0 DFADMP CCN(CCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)CC(F)(F)F ZINC000354843789 279179853 /nfs/dbraw/zinc/17/98/53/279179853.db2.gz HJWWUTVIFPREQE-KGLIPLIRSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)CC(F)(F)F ZINC000354843789 279179854 /nfs/dbraw/zinc/17/98/54/279179854.db2.gz HJWWUTVIFPREQE-KGLIPLIRSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)CC(F)(F)F ZINC000354843789 279179856 /nfs/dbraw/zinc/17/98/56/279179856.db2.gz HJWWUTVIFPREQE-KGLIPLIRSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)CC(F)(F)F ZINC000354843789 279179857 /nfs/dbraw/zinc/17/98/57/279179857.db2.gz HJWWUTVIFPREQE-KGLIPLIRSA-N 2 1 309.420 2.675 20 0 DFADMP CC[N@@H+](CCNC1CC[NH+](CCC(F)(F)F)CC1)C(C)C ZINC000358656437 279205373 /nfs/dbraw/zinc/20/53/73/279205373.db2.gz AZNZWXXCHCDUPS-UHFFFAOYSA-N 2 1 309.420 2.723 20 0 DFADMP C[NH+](C)C1CC[NH+](CC[C@@H]2Sc3ccccc3NC2=O)CC1 ZINC000659837355 431136457 /nfs/dbraw/zinc/13/64/57/431136457.db2.gz FXJNOZUPSAKXGB-INIZCTEOSA-N 2 1 319.474 2.516 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289991330 279258037 /nfs/dbraw/zinc/25/80/37/279258037.db2.gz YIRSDKJIAOGKJA-MNOVXSKESA-N 2 1 300.244 2.835 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000245886380 279266860 /nfs/dbraw/zinc/26/68/60/279266860.db2.gz CXUBIUBGQFROIJ-OKZBNKHCSA-N 2 1 323.525 2.735 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000096967046 279346904 /nfs/dbraw/zinc/34/69/04/279346904.db2.gz JEILQKVOEILURW-FUHWJXTLSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](C[NH2+]Cc1cn(C)nc1C(F)F)C[NH+]1CCCCC1 ZINC000360975045 279347633 /nfs/dbraw/zinc/34/76/33/279347633.db2.gz MZQXWMAJEJGWFM-GFCCVEGCSA-N 2 1 300.397 2.569 20 0 DFADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000655817237 431164069 /nfs/dbraw/zinc/16/40/69/431164069.db2.gz JFUZJAAYESOILG-SJLPKXTDSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@H]2C[NH+]2CCCCC2)C1 ZINC000659873227 431166193 /nfs/dbraw/zinc/16/61/93/431166193.db2.gz MHYONMRQTFBFNU-OTWHNJEPSA-N 2 1 307.526 2.915 20 0 DFADMP CCc1nocc1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000646071211 431169083 /nfs/dbraw/zinc/16/90/83/431169083.db2.gz NBIRUWSUSDNMQF-AWEZNQCLSA-N 2 1 300.406 2.874 20 0 DFADMP Cc1cncc(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000649583681 431175613 /nfs/dbraw/zinc/17/56/13/431175613.db2.gz WAZDFJOYVOEUMC-CVEARBPZSA-N 2 1 302.466 2.570 20 0 DFADMP Cc1cncc(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000649583683 431176166 /nfs/dbraw/zinc/17/61/66/431176166.db2.gz WAZDFJOYVOEUMC-HZPDHXFCSA-N 2 1 302.466 2.570 20 0 DFADMP CC(C)Oc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104204 431187379 /nfs/dbraw/zinc/18/73/79/431187379.db2.gz BFJZUKDNIOSFQR-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP CC(C)Oc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104204 431187386 /nfs/dbraw/zinc/18/73/86/431187386.db2.gz BFJZUKDNIOSFQR-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662787756 431195995 /nfs/dbraw/zinc/19/59/95/431195995.db2.gz FEDUDCWHWWKHCM-UXLLHSPISA-N 2 1 319.493 2.525 20 0 DFADMP C[C@H]1CCN(C[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649545748 431152526 /nfs/dbraw/zinc/15/25/26/431152526.db2.gz QPADWRSTWFARMZ-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CCN(C[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649545748 431152530 /nfs/dbraw/zinc/15/25/30/431152530.db2.gz QPADWRSTWFARMZ-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CCN(C[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649545748 431152534 /nfs/dbraw/zinc/15/25/34/431152534.db2.gz QPADWRSTWFARMZ-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCC[NH+]1C ZINC000649545434 431152640 /nfs/dbraw/zinc/15/26/40/431152640.db2.gz FAEJTDZOVCYNBO-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC[N@@H+]1C ZINC000649545434 431152643 /nfs/dbraw/zinc/15/26/43/431152643.db2.gz FAEJTDZOVCYNBO-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCC[N@H+]1C ZINC000649545434 431152650 /nfs/dbraw/zinc/15/26/50/431152650.db2.gz FAEJTDZOVCYNBO-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000655806706 431157268 /nfs/dbraw/zinc/15/72/68/431157268.db2.gz ZPUNRVBIVRZPCK-FRYIKTPZSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000655806706 431157275 /nfs/dbraw/zinc/15/72/75/431157275.db2.gz ZPUNRVBIVRZPCK-FRYIKTPZSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000646046040 431159468 /nfs/dbraw/zinc/15/94/68/431159468.db2.gz AKZZPWPNDGQBTM-FUHWJXTLSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957491 431208557 /nfs/dbraw/zinc/20/85/57/431208557.db2.gz TZWUHMNHXZMRPI-OTWHNJEPSA-N 2 1 307.526 2.772 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)c1ccccc1 ZINC000662839008 431213465 /nfs/dbraw/zinc/21/34/65/431213465.db2.gz OJLLCCNOXGWLJZ-KURKYZTESA-N 2 1 315.461 2.600 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(CC[NH+]1C[C@@H](C)C[C@H](C)C1)CC2 ZINC000659975188 431216078 /nfs/dbraw/zinc/21/60/78/431216078.db2.gz VNDUEIHLYFENAM-OKYOBFRVSA-N 2 1 307.526 2.911 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](OC)C2CCCC2)C1 ZINC000659979500 431219273 /nfs/dbraw/zinc/21/92/73/431219273.db2.gz MJWYYNFIWVRMGR-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000659988601 431224746 /nfs/dbraw/zinc/22/47/46/431224746.db2.gz YSWANGYQEMHSBG-BQFCYCMXSA-N 2 1 304.482 2.634 20 0 DFADMP Cc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000655939488 431226824 /nfs/dbraw/zinc/22/68/24/431226824.db2.gz IGBAIHKGFJLXNB-WBVHZDCISA-N 2 1 320.864 2.849 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c(Cl)c1 ZINC000655940288 431227705 /nfs/dbraw/zinc/22/77/05/431227705.db2.gz QHQIYXPOUPHQCY-OAHLLOKOSA-N 2 1 319.840 2.536 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000646243266 431235236 /nfs/dbraw/zinc/23/52/36/431235236.db2.gz SDEBCTFGYNIXIW-VQIMIIECSA-N 2 1 300.446 2.970 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000646243266 431235242 /nfs/dbraw/zinc/23/52/42/431235242.db2.gz SDEBCTFGYNIXIW-VQIMIIECSA-N 2 1 300.446 2.970 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000646243266 431235247 /nfs/dbraw/zinc/23/52/47/431235247.db2.gz SDEBCTFGYNIXIW-VQIMIIECSA-N 2 1 300.446 2.970 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN1[C@@H](C)Cc2cc(F)ccc2[C@@H]1C ZINC000660165182 431299119 /nfs/dbraw/zinc/29/91/19/431299119.db2.gz UQYRHLSKWYQDTD-ZQIUZPCESA-N 2 1 308.441 2.834 20 0 DFADMP COc1c(C)cccc1C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000656200145 431304012 /nfs/dbraw/zinc/30/40/12/431304012.db2.gz KBKFUMCCXRWESC-UHFFFAOYSA-N 2 1 315.417 2.748 20 0 DFADMP C[C@H]([NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)C1C[NH2+]C1 ZINC000656201921 431306271 /nfs/dbraw/zinc/30/62/71/431306271.db2.gz VJTUVLKMLLPUQJ-JTQLQIEISA-N 2 1 300.324 2.772 20 0 DFADMP CC[N@@H+](CCCNC(=O)c1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000653200458 431306598 /nfs/dbraw/zinc/30/65/98/431306598.db2.gz FNBRMLABOJTFGE-UHFFFAOYSA-N 2 1 317.477 2.920 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCC2)[C@H](C)C1 ZINC000660307293 431370300 /nfs/dbraw/zinc/37/03/00/431370300.db2.gz WASRMCIIHJCQDQ-NJAFHUGGSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCN(c3ccccc3F)C[C@@H]2C)CC[NH2+]1 ZINC000666699158 431329241 /nfs/dbraw/zinc/32/92/41/431329241.db2.gz XJFYLDRQGAYARJ-OWCLPIDISA-N 2 1 305.441 2.724 20 0 DFADMP c1[nH+]c(NC2CC[NH+](C[C@H]3CCCO3)CC2)cc2c1CCC2 ZINC000656262952 431341054 /nfs/dbraw/zinc/34/10/54/431341054.db2.gz WEWWRBSDTNLMPI-QGZVFWFLSA-N 2 1 301.434 2.626 20 0 DFADMP Cc1cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000660256670 431345107 /nfs/dbraw/zinc/34/51/07/431345107.db2.gz MVOUNKFZABBYFC-GDBMZVCRSA-N 2 1 302.466 2.836 20 0 DFADMP [NH3+]Cc1cccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000646578856 431345118 /nfs/dbraw/zinc/34/51/18/431345118.db2.gz HJEFSUBXCWAYLL-GOSISDBHSA-N 2 1 323.440 2.996 20 0 DFADMP c1cc2c(cccc2C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)[nH]1 ZINC000656281404 431357662 /nfs/dbraw/zinc/35/76/62/431357662.db2.gz VZKYIBMPOANLIR-QGZVFWFLSA-N 2 1 313.445 2.855 20 0 DFADMP c1cc2c(cc[nH+]c2NC[C@@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]1 ZINC000663322423 431364500 /nfs/dbraw/zinc/36/45/00/431364500.db2.gz IALMCIGQJBIFCD-MRXNPFEDSA-N 2 1 322.412 2.876 20 0 DFADMP c1cc2c(cc[nH+]c2NC[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]1 ZINC000663322423 431364502 /nfs/dbraw/zinc/36/45/02/431364502.db2.gz IALMCIGQJBIFCD-MRXNPFEDSA-N 2 1 322.412 2.876 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663343868 431374206 /nfs/dbraw/zinc/37/42/06/431374206.db2.gz IFXSLSVQIONXPD-HNNXBMFYSA-N 2 1 302.466 2.509 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663343868 431374217 /nfs/dbraw/zinc/37/42/17/431374217.db2.gz IFXSLSVQIONXPD-HNNXBMFYSA-N 2 1 302.466 2.509 20 0 DFADMP c1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)o2)n[nH]1 ZINC000663344377 431374317 /nfs/dbraw/zinc/37/43/17/431374317.db2.gz SHXGSBORYAOZGF-OAHLLOKOSA-N 2 1 314.433 2.881 20 0 DFADMP c1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)o2)n[nH]1 ZINC000663344377 431374324 /nfs/dbraw/zinc/37/43/24/431374324.db2.gz SHXGSBORYAOZGF-OAHLLOKOSA-N 2 1 314.433 2.881 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(OC)c1 ZINC000663347419 431376223 /nfs/dbraw/zinc/37/62/23/431376223.db2.gz KFICMTCVXXVLAD-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(OC)c1 ZINC000663347419 431376227 /nfs/dbraw/zinc/37/62/27/431376227.db2.gz KFICMTCVXXVLAD-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663359442 431384168 /nfs/dbraw/zinc/38/41/68/431384168.db2.gz LOOBNUCPXBMUGV-MRXNPFEDSA-N 2 1 303.450 2.504 20 0 DFADMP CC(CC[NH+]1CCCOC[C@H]1C)CC[N@H+]1CCCOC[C@H]1C ZINC000663362064 431385894 /nfs/dbraw/zinc/38/58/94/431385894.db2.gz VBBREHWQGDEFEO-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H]3COC(C)(C)C3)C1)CCCC2 ZINC000660338213 431385855 /nfs/dbraw/zinc/38/58/55/431385855.db2.gz FZPJNLXDAQRODK-CABCVRRESA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H]3COC(C)(C)C3)C1)CCCC2 ZINC000660338213 431385859 /nfs/dbraw/zinc/38/58/59/431385859.db2.gz FZPJNLXDAQRODK-CABCVRRESA-N 2 1 303.450 2.885 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@@H]3CC[C@@H](C[NH3+])C3)n2)C1 ZINC000653472289 431392589 /nfs/dbraw/zinc/39/25/89/431392589.db2.gz LGBNTVNHVYFMBR-ZIAGYGMSSA-N 2 1 303.454 2.642 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000653472566 431393751 /nfs/dbraw/zinc/39/37/51/431393751.db2.gz UPRDAPYYWPMDOB-GJZGRUSLSA-N 2 1 317.481 2.667 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cn2)cc1 ZINC000666998139 431441289 /nfs/dbraw/zinc/44/12/89/431441289.db2.gz DYFHFQOLZDBNJA-INIZCTEOSA-N 2 1 314.408 2.776 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCNC[C@@H]1c1ccccc1Cl ZINC000663495248 431442409 /nfs/dbraw/zinc/44/24/09/431442409.db2.gz WIEIYBDPNLAMBV-CKEIUWERSA-N 2 1 307.869 2.532 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCNC[C@@H]1c1ccccc1Cl ZINC000663495248 431442416 /nfs/dbraw/zinc/44/24/16/431442416.db2.gz WIEIYBDPNLAMBV-CKEIUWERSA-N 2 1 307.869 2.532 20 0 DFADMP OC[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000656625283 431451156 /nfs/dbraw/zinc/45/11/56/431451156.db2.gz IIUQXDBUJXDINK-CQSZACIVSA-N 2 1 308.853 2.632 20 0 DFADMP COC[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OC ZINC000660486617 431453484 /nfs/dbraw/zinc/45/34/84/431453484.db2.gz KRCWJVOKGUKPNV-MSOLQXFVSA-N 2 1 320.477 2.538 20 0 DFADMP COC[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OC ZINC000660486617 431453491 /nfs/dbraw/zinc/45/34/91/431453491.db2.gz KRCWJVOKGUKPNV-MSOLQXFVSA-N 2 1 320.477 2.538 20 0 DFADMP COC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OC ZINC000660486621 431453892 /nfs/dbraw/zinc/45/38/92/431453892.db2.gz KRCWJVOKGUKPNV-ROUUACIJSA-N 2 1 320.477 2.538 20 0 DFADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OC ZINC000660486621 431453900 /nfs/dbraw/zinc/45/39/00/431453900.db2.gz KRCWJVOKGUKPNV-ROUUACIJSA-N 2 1 320.477 2.538 20 0 DFADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)OC ZINC000660486624 431454327 /nfs/dbraw/zinc/45/43/27/431454327.db2.gz KRCWJVOKGUKPNV-ZWKOTPCHSA-N 2 1 320.477 2.538 20 0 DFADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)OC ZINC000660486624 431454333 /nfs/dbraw/zinc/45/43/33/431454333.db2.gz KRCWJVOKGUKPNV-ZWKOTPCHSA-N 2 1 320.477 2.538 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](CC(C)C)c1ccccc1OC ZINC000653606901 431455720 /nfs/dbraw/zinc/45/57/20/431455720.db2.gz KIDXYVKDVMSXID-DOTOQJQBSA-N 2 1 308.466 2.685 20 0 DFADMP CC(C)[C@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660536215 431479435 /nfs/dbraw/zinc/47/94/35/431479435.db2.gz FNDRTWTWPVGMIF-AZUAARDMSA-N 2 1 315.505 2.923 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1 ZINC000646987163 431435375 /nfs/dbraw/zinc/43/53/75/431435375.db2.gz IGBWHAABUODAMW-GOSISDBHSA-N 2 1 317.477 2.790 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783796 431519343 /nfs/dbraw/zinc/51/93/43/431519343.db2.gz UMGIXEXJCXQAHY-INIZCTEOSA-N 2 1 318.509 2.757 20 0 DFADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656785541 431521765 /nfs/dbraw/zinc/52/17/65/431521765.db2.gz LSQRHIVFMGNCHY-QGZVFWFLSA-N 2 1 304.482 2.850 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786222 431523695 /nfs/dbraw/zinc/52/36/95/431523695.db2.gz PYBFVDWYIXVXSM-KRWDZBQOSA-N 2 1 301.478 2.964 20 0 DFADMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1Br ZINC000656788403 431526145 /nfs/dbraw/zinc/52/61/45/431526145.db2.gz NOFPEZPMGIVMAI-UHFFFAOYSA-N 2 1 313.239 2.819 20 0 DFADMP CCC[C@@H]1CN(c2[nH+]ccc3[nH]ccc32)CC[N@H+]1CCOC ZINC000663759061 431527770 /nfs/dbraw/zinc/52/77/70/431527770.db2.gz OURFNYVFHVNZLJ-CQSZACIVSA-N 2 1 302.422 2.500 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000656696836 431482551 /nfs/dbraw/zinc/48/25/51/431482551.db2.gz CIAQDARMZOBGRU-SFHVURJKSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000656696836 431482557 /nfs/dbraw/zinc/48/25/57/431482557.db2.gz CIAQDARMZOBGRU-SFHVURJKSA-N 2 1 304.478 2.741 20 0 DFADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174605 431493931 /nfs/dbraw/zinc/49/39/31/431493931.db2.gz HCTSWBHDLXWWAI-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174605 431493938 /nfs/dbraw/zinc/49/39/38/431493938.db2.gz HCTSWBHDLXWWAI-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP C[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174605 431493945 /nfs/dbraw/zinc/49/39/45/431493945.db2.gz HCTSWBHDLXWWAI-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP C[N@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174605 431493951 /nfs/dbraw/zinc/49/39/51/431493951.db2.gz HCTSWBHDLXWWAI-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174605 431493958 /nfs/dbraw/zinc/49/39/58/431493958.db2.gz HCTSWBHDLXWWAI-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174605 431493963 /nfs/dbraw/zinc/49/39/63/431493963.db2.gz HCTSWBHDLXWWAI-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP C[C@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647182744 431498280 /nfs/dbraw/zinc/49/82/80/431498280.db2.gz QUHJIEFPSKJHNO-MOPGFXCFSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647182744 431498283 /nfs/dbraw/zinc/49/82/83/431498283.db2.gz QUHJIEFPSKJHNO-MOPGFXCFSA-N 2 1 314.473 2.934 20 0 DFADMP FC1(F)CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000647183455 431498576 /nfs/dbraw/zinc/49/85/76/431498576.db2.gz ZBATVTBGQSUJHH-OAHLLOKOSA-N 2 1 302.409 2.797 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CCC(F)(F)CC2)C1 ZINC000647199997 431507919 /nfs/dbraw/zinc/50/79/19/431507919.db2.gz BJMTZGMPAQRKAI-QGZVFWFLSA-N 2 1 324.415 2.921 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344052 431559619 /nfs/dbraw/zinc/55/96/19/431559619.db2.gz IDBFVYLQELNUFR-NEWSRXKRSA-N 2 1 324.472 2.733 20 0 DFADMP CC(C)n1cc(C2=CCC[N@@H+](CC[C@H]3CCC[NH+]3C)CC2)nn1 ZINC000660716832 431563178 /nfs/dbraw/zinc/56/31/78/431563178.db2.gz AZECIARSGLOHAM-QGZVFWFLSA-N 2 1 317.481 2.823 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000660716832 431563184 /nfs/dbraw/zinc/56/31/84/431563184.db2.gz AZECIARSGLOHAM-QGZVFWFLSA-N 2 1 317.481 2.823 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)nn1 ZINC000660716832 431563189 /nfs/dbraw/zinc/56/31/89/431563189.db2.gz AZECIARSGLOHAM-QGZVFWFLSA-N 2 1 317.481 2.823 20 0 DFADMP CCN(CCC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)CC(F)(F)F ZINC000660661771 431537530 /nfs/dbraw/zinc/53/75/30/431537530.db2.gz GHJZZVGSPFLPHQ-HNNXBMFYSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(CCC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)CC(F)(F)F ZINC000660661771 431537539 /nfs/dbraw/zinc/53/75/39/431537539.db2.gz GHJZZVGSPFLPHQ-HNNXBMFYSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(CCC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC000660661771 431537545 /nfs/dbraw/zinc/53/75/45/431537545.db2.gz GHJZZVGSPFLPHQ-HNNXBMFYSA-N 2 1 321.431 2.678 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647290180 431540612 /nfs/dbraw/zinc/54/06/12/431540612.db2.gz ZKKUQLDZMAJZIY-CQSZACIVSA-N 2 1 301.438 2.855 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000660670205 431543443 /nfs/dbraw/zinc/54/34/43/431543443.db2.gz CJKOGJFQYNZXBH-IHRRRGAJSA-N 2 1 310.404 2.788 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000124265390 280008170 /nfs/dbraw/zinc/00/81/70/280008170.db2.gz CPJWZOFVTKKBQC-SLTXQBBLSA-N 2 1 310.482 2.959 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000124265390 280008174 /nfs/dbraw/zinc/00/81/74/280008174.db2.gz CPJWZOFVTKKBQC-SLTXQBBLSA-N 2 1 310.482 2.959 20 0 DFADMP CC[C@@H](C)[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000104966854 280122159 /nfs/dbraw/zinc/12/21/59/280122159.db2.gz VGWBHPJHWUPICO-CABCVRRESA-N 2 1 321.509 2.628 20 0 DFADMP C[C@]1(C[N@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]C1 ZINC000261995919 280153112 /nfs/dbraw/zinc/15/31/12/280153112.db2.gz KULSLVYVIDSOKV-IBGZPJMESA-N 2 1 310.445 2.521 20 0 DFADMP C[C@]1(C[N@@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]C1 ZINC000261995919 280153117 /nfs/dbraw/zinc/15/31/17/280153117.db2.gz KULSLVYVIDSOKV-IBGZPJMESA-N 2 1 310.445 2.521 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCCCC1 ZINC000067284936 280174977 /nfs/dbraw/zinc/17/49/77/280174977.db2.gz VDOUMPRYCKHTDM-NVXWUHKLSA-N 2 1 321.465 2.509 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650707139 431652536 /nfs/dbraw/zinc/65/25/36/431652536.db2.gz ZGXSVDBAQKJXOP-XYJFISCASA-N 2 1 306.425 2.852 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705587 431653258 /nfs/dbraw/zinc/65/32/58/431653258.db2.gz MMLWBKHQFRTXKD-IPMKNSEASA-N 2 1 302.462 2.967 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)C1 ZINC000650706106 431653976 /nfs/dbraw/zinc/65/39/76/431653976.db2.gz DIBIOVQFJKWPRW-BJJXKVORSA-N 2 1 310.388 2.683 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000650711241 431655660 /nfs/dbraw/zinc/65/56/60/431655660.db2.gz MRVXWKVRPFPEKF-YJBOKZPZSA-N 2 1 306.450 2.661 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657294083 431655983 /nfs/dbraw/zinc/65/59/83/431655983.db2.gz CLHYOKBQXKKUNR-LJQANCHMSA-N 2 1 318.461 2.818 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000650709109 431656341 /nfs/dbraw/zinc/65/63/41/431656341.db2.gz BUQVGXTYYQWVNJ-YJBOKZPZSA-N 2 1 314.408 2.572 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnn(-c3ccc(F)cc3)c1)C2 ZINC000650709109 431656349 /nfs/dbraw/zinc/65/63/49/431656349.db2.gz BUQVGXTYYQWVNJ-YJBOKZPZSA-N 2 1 314.408 2.572 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@H]1CC[NH3+] ZINC000650711108 431656460 /nfs/dbraw/zinc/65/64/60/431656460.db2.gz ITZVOTVNMQJBSG-BBRMVZONSA-N 2 1 304.463 2.883 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2ccccc2)n1 ZINC000650709217 431657777 /nfs/dbraw/zinc/65/77/77/431657777.db2.gz KGFLRXLBNOXBPB-HKUYNNGSSA-N 2 1 310.445 2.648 20 0 DFADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711010 431658198 /nfs/dbraw/zinc/65/81/98/431658198.db2.gz GHVJVOWTMWXUQG-PBHICJAKSA-N 2 1 313.449 2.525 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)[C@H]1CC[NH3+] ZINC000650711029 431658236 /nfs/dbraw/zinc/65/82/36/431658236.db2.gz GOYKEANZEWAESZ-ZBFHGGJFSA-N 2 1 304.434 2.797 20 0 DFADMP CCO[C@@H]1C[N@@H+](CCCCCOc2ccccc2)C[C@H]1C[NH3+] ZINC000650713862 431659341 /nfs/dbraw/zinc/65/93/41/431659341.db2.gz GNXBSFJHUBJAKB-SJLPKXTDSA-N 2 1 306.450 2.531 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)c(C)c2)C[C@H]1C[NH3+] ZINC000650714098 431659701 /nfs/dbraw/zinc/65/97/01/431659701.db2.gz REEPYTGIUABEQU-UKRRQHHQSA-N 2 1 316.367 2.809 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497675 431605594 /nfs/dbraw/zinc/60/55/94/431605594.db2.gz PYBBXVGPMOORSX-WMZOPIPTSA-N 2 1 316.424 2.630 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497675 431605601 /nfs/dbraw/zinc/60/56/01/431605601.db2.gz PYBBXVGPMOORSX-WMZOPIPTSA-N 2 1 316.424 2.630 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498280 431606348 /nfs/dbraw/zinc/60/63/48/431606348.db2.gz DMWWTGKXOBVUKZ-GJZGRUSLSA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1OC ZINC000647498280 431606353 /nfs/dbraw/zinc/60/63/53/431606353.db2.gz DMWWTGKXOBVUKZ-GJZGRUSLSA-N 2 1 322.449 2.662 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000647496840 431606368 /nfs/dbraw/zinc/60/63/68/431606368.db2.gz XUVWSNOGDAJOGY-DZGCQCFKSA-N 2 1 314.433 2.645 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@H]1[NH3+] ZINC000647497852 431606387 /nfs/dbraw/zinc/60/63/87/431606387.db2.gz YECWHQLCMVGTCN-SWLSCSKDSA-N 2 1 304.463 2.708 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccccc2OCC(F)(F)F)CC1 ZINC000647531342 431617341 /nfs/dbraw/zinc/61/73/41/431617341.db2.gz PRLZWUNPLZVJED-UHFFFAOYSA-N 2 1 302.340 2.941 20 0 DFADMP CC[C@@H](C)Oc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000647535566 431620234 /nfs/dbraw/zinc/62/02/34/431620234.db2.gz KOUIIRHWNOAJSZ-BMFZPTHFSA-N 2 1 304.434 2.524 20 0 DFADMP CC[C@@H](C)Oc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000647535566 431620241 /nfs/dbraw/zinc/62/02/41/431620241.db2.gz KOUIIRHWNOAJSZ-BMFZPTHFSA-N 2 1 304.434 2.524 20 0 DFADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543326 431623632 /nfs/dbraw/zinc/62/36/32/431623632.db2.gz LALCVKDDOLLADN-IAGOWNOFSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543193 431625072 /nfs/dbraw/zinc/62/50/72/431625072.db2.gz JATUUPYLVSZQMW-DLBZAZTESA-N 2 1 312.461 2.854 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cscc2Cl)CC12CCOCC2 ZINC000647545435 431625480 /nfs/dbraw/zinc/62/54/80/431625480.db2.gz HKBWLVLPPGSWIN-GFCCVEGCSA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cscc2Cl)CC12CCOCC2 ZINC000647545435 431625484 /nfs/dbraw/zinc/62/54/84/431625484.db2.gz HKBWLVLPPGSWIN-GFCCVEGCSA-N 2 1 300.855 2.589 20 0 DFADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542941 431625580 /nfs/dbraw/zinc/62/55/80/431625580.db2.gz FAVXDTGZRLBEBL-CABCVRRESA-N 2 1 302.418 2.627 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543225 431625978 /nfs/dbraw/zinc/62/59/78/431625978.db2.gz JRWOYECSDBXAGS-CVEARBPZSA-N 2 1 318.461 2.915 20 0 DFADMP Cc1[nH+]ccc(N2CCC([N@H+]3CCCOCC3)CC2)c1Cl ZINC000664011796 431626276 /nfs/dbraw/zinc/62/62/76/431626276.db2.gz SOZFRLNLMMEDRW-UHFFFAOYSA-N 2 1 309.841 2.735 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000647550133 431628818 /nfs/dbraw/zinc/62/88/18/431628818.db2.gz BLGQXNRECWNRCI-DZGCQCFKSA-N 2 1 316.474 2.725 20 0 DFADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000650719340 431661435 /nfs/dbraw/zinc/66/14/35/431661435.db2.gz MOHNFCPNODLBLX-UHFFFAOYSA-N 2 1 320.440 2.941 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650722238 431665080 /nfs/dbraw/zinc/66/50/80/431665080.db2.gz NTPBTDYWUWWKIB-JQHSSLGASA-N 2 1 304.434 2.556 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(F)c2)C1 ZINC000650723513 431665367 /nfs/dbraw/zinc/66/53/67/431665367.db2.gz PLXZDDXLKDKVRC-ZACQAIPSSA-N 2 1 310.388 2.826 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cnc(C3CC3)s2)C1 ZINC000650723913 431665958 /nfs/dbraw/zinc/66/59/58/431665958.db2.gz VTLNPSPAORHLHM-KBMXLJTQSA-N 2 1 321.490 2.881 20 0 DFADMP CC[C@H](C)[NH+]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC000654139543 431666760 /nfs/dbraw/zinc/66/67/60/431666760.db2.gz MIVALQJCIHNMHT-HNNXBMFYSA-N 2 1 321.465 2.678 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000657314261 431668580 /nfs/dbraw/zinc/66/85/80/431668580.db2.gz ZISGCKPEMOJSQK-KFKAGJAMSA-N 2 1 318.461 2.817 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000657314261 431668586 /nfs/dbraw/zinc/66/85/86/431668586.db2.gz ZISGCKPEMOJSQK-KFKAGJAMSA-N 2 1 318.461 2.817 20 0 DFADMP C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)nn1C)C[NH+]1CCCCC1 ZINC000657316376 431673172 /nfs/dbraw/zinc/67/31/72/431673172.db2.gz DYONOALBKDSCKY-LBPRGKRZSA-N 2 1 318.387 2.651 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000650764185 431684389 /nfs/dbraw/zinc/68/43/89/431684389.db2.gz SASRAVWGZCGYBN-UHFFFAOYSA-N 3 1 301.478 2.630 20 0 DFADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000647786080 431685437 /nfs/dbraw/zinc/68/54/37/431685437.db2.gz HPRWSWNELBAIBE-XUVXKRRUSA-N 2 1 316.489 2.983 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000647788391 431687324 /nfs/dbraw/zinc/68/73/24/431687324.db2.gz INQIPBISMLXQNP-WJFTUGDTSA-N 3 1 307.526 2.721 20 0 DFADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C2 ZINC000647793994 431689081 /nfs/dbraw/zinc/68/90/81/431689081.db2.gz NZAXGNKUEZEUBO-OBZTUIKSSA-N 2 1 314.473 2.538 20 0 DFADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1cccc(Cl)c1 ZINC000647814256 431696292 /nfs/dbraw/zinc/69/62/92/431696292.db2.gz GDJACIQMRDOYKM-UHFFFAOYSA-N 2 1 321.852 2.885 20 0 DFADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c1cccc2ccccc21 ZINC000647849271 431706044 /nfs/dbraw/zinc/70/60/44/431706044.db2.gz NMFALXLCXRUWHX-HUUCEWRRSA-N 2 1 313.445 2.686 20 0 DFADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c1cccc2ccccc21 ZINC000647849271 431706048 /nfs/dbraw/zinc/70/60/48/431706048.db2.gz NMFALXLCXRUWHX-HUUCEWRRSA-N 2 1 313.445 2.686 20 0 DFADMP Cc1cc(CO)cc(NCc2ccccc2C[NH+]2CCCC2)[nH+]1 ZINC000647850791 431706633 /nfs/dbraw/zinc/70/66/33/431706633.db2.gz CCZBYMCUTBFGNQ-UHFFFAOYSA-N 2 1 311.429 2.512 20 0 DFADMP COc1ccc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(OC)c1 ZINC000650718402 431662539 /nfs/dbraw/zinc/66/25/39/431662539.db2.gz KRWFJOOXOUFYBA-UHFFFAOYSA-N 2 1 304.365 2.591 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)C1 ZINC000650721877 431663941 /nfs/dbraw/zinc/66/39/41/431663941.db2.gz DZEXNHQUEYSAFI-XOKHGSTOSA-N 2 1 310.388 2.826 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000664291616 431725840 /nfs/dbraw/zinc/72/58/40/431725840.db2.gz KXYPXBJCXDFBNE-INIZCTEOSA-N 2 1 318.465 2.743 20 0 DFADMP CC[C@H](C)[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661103126 431732566 /nfs/dbraw/zinc/73/25/66/431732566.db2.gz DUENINGGLUCXQU-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361348302 288250790 /nfs/dbraw/zinc/25/07/90/288250790.db2.gz JIDJWBGVDUFDBL-VBSBHUPXSA-N 2 1 313.489 2.500 20 0 DFADMP CC[C@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)CC[C@@H]1[NH3+] ZINC000647939036 431738458 /nfs/dbraw/zinc/73/84/58/431738458.db2.gz ZNBPCISDJRXONX-HOCLYGCPSA-N 2 1 314.433 2.728 20 0 DFADMP CCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](CC)C1 ZINC000664340420 431740583 /nfs/dbraw/zinc/74/05/83/431740583.db2.gz IODSBDHWKGSLHH-KRWDZBQOSA-N 2 1 318.465 2.696 20 0 DFADMP C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429188 431743917 /nfs/dbraw/zinc/74/39/17/431743917.db2.gz DSOJNRWBWHSJPJ-FUHWJXTLSA-N 2 1 324.472 2.830 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000647959077 431751035 /nfs/dbraw/zinc/75/10/35/431751035.db2.gz VWRVSILVZYNOIJ-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000647959077 431751039 /nfs/dbraw/zinc/75/10/39/431751039.db2.gz VWRVSILVZYNOIJ-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1C[C@H](OCC)C1(C)C ZINC000647965029 431755039 /nfs/dbraw/zinc/75/50/39/431755039.db2.gz COTMOYJGBUNMNB-IKGGRYGDSA-N 2 1 314.514 2.603 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1C[C@H](OCC)C1(C)C ZINC000647965029 431755042 /nfs/dbraw/zinc/75/50/42/431755042.db2.gz COTMOYJGBUNMNB-IKGGRYGDSA-N 2 1 314.514 2.603 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1C[C@H](OCC)C1(C)C ZINC000647965029 431755046 /nfs/dbraw/zinc/75/50/46/431755046.db2.gz COTMOYJGBUNMNB-IKGGRYGDSA-N 2 1 314.514 2.603 20 0 DFADMP Cc1ncc(CN[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1C ZINC000657446182 431756438 /nfs/dbraw/zinc/75/64/38/431756438.db2.gz LEXSYAZZAUHLMN-RDTXWAMCSA-N 2 1 300.450 2.818 20 0 DFADMP c1cc(CNC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657453407 431760080 /nfs/dbraw/zinc/76/00/80/431760080.db2.gz XBOJTSKYBZZUIJ-IBGZPJMESA-N 2 1 324.472 2.905 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657453407 431760090 /nfs/dbraw/zinc/76/00/90/431760090.db2.gz XBOJTSKYBZZUIJ-IBGZPJMESA-N 2 1 324.472 2.905 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(CC2CC2)n1 ZINC000657453407 431760097 /nfs/dbraw/zinc/76/00/97/431760097.db2.gz XBOJTSKYBZZUIJ-IBGZPJMESA-N 2 1 324.472 2.905 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977756 431761294 /nfs/dbraw/zinc/76/12/94/431761294.db2.gz HBUHENBBHYYUSQ-SJORKVTESA-N 2 1 318.461 2.786 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647978808 431762324 /nfs/dbraw/zinc/76/23/24/431762324.db2.gz YKVBFPYRAHSTLO-MOPGFXCFSA-N 2 1 314.473 2.876 20 0 DFADMP c1coc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975836 431762364 /nfs/dbraw/zinc/76/23/64/431762364.db2.gz GPCQAMIODCIOKO-KBPBESRZSA-N 2 1 316.405 2.541 20 0 DFADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975793 431763202 /nfs/dbraw/zinc/76/32/02/431763202.db2.gz GAMPMTFGFZEAHY-KKUMJFAQSA-N 2 1 306.454 2.966 20 0 DFADMP c1ccc(C[C@@H]2COCC[N@@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647877297 431715352 /nfs/dbraw/zinc/71/53/52/431715352.db2.gz NAOXUKVYRHKUCH-LJQANCHMSA-N 2 1 302.462 2.710 20 0 DFADMP C(C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)C1CC[NH2+]CC1 ZINC000647882174 431715742 /nfs/dbraw/zinc/71/57/42/431715742.db2.gz RWLDALPHARELCX-OAHLLOKOSA-N 2 1 304.438 2.864 20 0 DFADMP C(C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)C1CC[NH2+]CC1 ZINC000647882174 431715748 /nfs/dbraw/zinc/71/57/48/431715748.db2.gz RWLDALPHARELCX-OAHLLOKOSA-N 2 1 304.438 2.864 20 0 DFADMP Cc1ccc(C(=O)C2CC[NH+](C[C@@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000647879879 431716412 /nfs/dbraw/zinc/71/64/12/431716412.db2.gz SSMDXLVIUJTFGR-MRXNPFEDSA-N 2 1 300.446 2.808 20 0 DFADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@H]1CC[NH2+]C1 ZINC000647881524 431717352 /nfs/dbraw/zinc/71/73/52/431717352.db2.gz CPVOARKWRLROMI-AWEZNQCLSA-N 2 1 316.424 2.690 20 0 DFADMP CC[C@@H]1c2ccccc2CCN1Cc1nc(C(C)(C)N)no1 ZINC000647885840 431719473 /nfs/dbraw/zinc/71/94/73/431719473.db2.gz XAEVDPOPPMSJLN-CQSZACIVSA-N 2 1 300.406 2.773 20 0 DFADMP Cn1ncc(C2CC2)c1CNC[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000657500279 431788471 /nfs/dbraw/zinc/78/84/71/431788471.db2.gz MVFYVAHVZDYQFG-MJGOQNOKSA-N 2 1 324.472 2.733 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000657500279 431788487 /nfs/dbraw/zinc/78/84/87/431788487.db2.gz MVFYVAHVZDYQFG-MJGOQNOKSA-N 2 1 324.472 2.733 20 0 DFADMP CC(C)C[N@@H+](C)CCCNCc1ccc(O[C@H]2CCOC2)cc1 ZINC000657499508 431789186 /nfs/dbraw/zinc/78/91/86/431789186.db2.gz AUXNBPOZQYUQAG-IBGZPJMESA-N 2 1 320.477 2.922 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657499508 431789191 /nfs/dbraw/zinc/78/91/91/431789191.db2.gz AUXNBPOZQYUQAG-IBGZPJMESA-N 2 1 320.477 2.922 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657499508 431789193 /nfs/dbraw/zinc/78/91/93/431789193.db2.gz AUXNBPOZQYUQAG-IBGZPJMESA-N 2 1 320.477 2.922 20 0 DFADMP C[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccc(F)cc1 ZINC000648071941 431808451 /nfs/dbraw/zinc/80/84/51/431808451.db2.gz BLBBTCYXHARGFE-OAHLLOKOSA-N 2 1 306.425 2.726 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C\c1ccc(F)c(F)c1)CCO2 ZINC000648072207 431808622 /nfs/dbraw/zinc/80/86/22/431808622.db2.gz RAMIPKKEHLPTES-IHWYPQMZSA-N 2 1 322.399 2.775 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C\c1ccc(F)c(F)c1)CCO2 ZINC000648072207 431808628 /nfs/dbraw/zinc/80/86/28/431808628.db2.gz RAMIPKKEHLPTES-IHWYPQMZSA-N 2 1 322.399 2.775 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H]([C@@H]3CCCC3(C)C)C2)n1 ZINC000647995263 431768450 /nfs/dbraw/zinc/76/84/50/431768450.db2.gz JSKLASRQWOLCCP-STQMWFEESA-N 2 1 306.454 2.912 20 0 DFADMP COc1ncncc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000648001859 431772192 /nfs/dbraw/zinc/77/21/92/431772192.db2.gz PFLNEXOSUSKCNN-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000657483512 431776917 /nfs/dbraw/zinc/77/69/17/431776917.db2.gz RONXLEVTCMSBEA-AGUYFDCRSA-N 2 1 324.266 2.867 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000657483512 431776921 /nfs/dbraw/zinc/77/69/21/431776921.db2.gz RONXLEVTCMSBEA-AGUYFDCRSA-N 2 1 324.266 2.867 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000657491857 431783355 /nfs/dbraw/zinc/78/33/55/431783355.db2.gz LJZRKXSMMDZQHX-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000657492744 431783740 /nfs/dbraw/zinc/78/37/40/431783740.db2.gz ZWIDOQFMZOTPHE-WMZOPIPTSA-N 2 1 320.477 2.922 20 0 DFADMP Cc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657596818 431821200 /nfs/dbraw/zinc/82/12/00/431821200.db2.gz ZFKOKWVPEMSBPH-HXUWFJFHSA-N 2 1 310.441 2.851 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1(CO)CC1 ZINC000657608117 431825372 /nfs/dbraw/zinc/82/53/72/431825372.db2.gz QPNFVDQXZJJGOD-RYRKJORJSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1(CO)CC1 ZINC000657608117 431825374 /nfs/dbraw/zinc/82/53/74/431825374.db2.gz QPNFVDQXZJJGOD-RYRKJORJSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261926846 281254266 /nfs/dbraw/zinc/25/42/66/281254266.db2.gz LEBZTUZNRYFFSN-NXWXRZEISA-N 2 1 302.462 2.845 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CCN(c3[nH]cc[nH+]3)CC2)c1C ZINC000357678804 282073225 /nfs/dbraw/zinc/07/32/25/282073225.db2.gz FQBDTLPOJDRXAU-UHFFFAOYSA-N 2 1 307.401 2.901 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[C@H]([NH+]3CCOCC3)C2)c1C ZINC000302077315 282073678 /nfs/dbraw/zinc/07/36/78/282073678.db2.gz JVKXTPJRDQWVRO-INIZCTEOSA-N 2 1 311.429 2.763 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1C ZINC000363413396 289090852 /nfs/dbraw/zinc/09/08/52/289090852.db2.gz BTENVWWMFPSURF-JFIYKMOQSA-N 2 1 315.461 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1C ZINC000363413396 289090855 /nfs/dbraw/zinc/09/08/55/289090855.db2.gz BTENVWWMFPSURF-JFIYKMOQSA-N 2 1 315.461 2.623 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414291 289092193 /nfs/dbraw/zinc/09/21/93/289092193.db2.gz LVQWCZJZHASAEM-ZHALLVOQSA-N 2 1 323.440 2.857 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414291 289092198 /nfs/dbraw/zinc/09/21/98/289092198.db2.gz LVQWCZJZHASAEM-ZHALLVOQSA-N 2 1 323.440 2.857 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363414291 289092199 /nfs/dbraw/zinc/09/21/99/289092199.db2.gz LVQWCZJZHASAEM-ZHALLVOQSA-N 2 1 323.440 2.857 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc2ncccc2c1)CC[NH+](C)C ZINC000289430058 289133127 /nfs/dbraw/zinc/13/31/27/289133127.db2.gz NOJBJKSOPNTTQH-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000291990612 289277310 /nfs/dbraw/zinc/27/73/10/289277310.db2.gz BCUIDLSKMWVBBW-CJNGLKHVSA-N 2 1 323.868 2.591 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCCC(F)(F)F ZINC000378244676 289333879 /nfs/dbraw/zinc/33/38/79/289333879.db2.gz QNYUTQUZOBHJRL-RDBSUJKOSA-N 2 1 308.388 2.903 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324710 290193956 /nfs/dbraw/zinc/19/39/56/290193956.db2.gz BAUJMTUHVAAOFL-CZUORRHYSA-N 2 1 323.868 2.576 20 0 DFADMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000437875486 297072897 /nfs/dbraw/zinc/07/28/97/297072897.db2.gz LRFCQPOSJMFRIT-DLBZAZTESA-N 2 1 309.498 2.630 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358026029 294317533 /nfs/dbraw/zinc/31/75/33/294317533.db2.gz UHUAPWIECQQMSI-YYIAUSFCSA-N 2 1 320.477 2.809 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc(OC)c1OC ZINC000293316106 295019113 /nfs/dbraw/zinc/01/91/13/295019113.db2.gz FKJAHGZXRZOYDD-QWHCGFSZSA-N 2 1 310.438 2.561 20 0 DFADMP C[C@@H]1C[NH+](CCCC[N@@H+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000157647395 295351808 /nfs/dbraw/zinc/35/18/08/295351808.db2.gz FTQWBDFEECVNCO-IYBDPMFKSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000157647395 295351810 /nfs/dbraw/zinc/35/18/10/295351810.db2.gz FTQWBDFEECVNCO-IYBDPMFKSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH+]2C[C@H](C)OC(C)(C)C2)CC(C)(C)O1 ZINC000157647395 295351811 /nfs/dbraw/zinc/35/18/11/295351811.db2.gz FTQWBDFEECVNCO-IYBDPMFKSA-N 2 1 312.498 2.765 20 0 DFADMP CC[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@H](C)O1 ZINC000158091759 295358330 /nfs/dbraw/zinc/35/83/30/295358330.db2.gz SYZIPMKQUBECGI-WNRNVDISSA-N 2 1 312.498 2.765 20 0 DFADMP CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439963701 297141530 /nfs/dbraw/zinc/14/15/30/297141530.db2.gz VFFPPWLNIXSLFP-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440130434 297145267 /nfs/dbraw/zinc/14/52/67/297145267.db2.gz ISJJAJXSMCPTJK-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCn4ccnc4C3)c2C1 ZINC000440144363 297145364 /nfs/dbraw/zinc/14/53/64/297145364.db2.gz JPRGKXIMKISQLR-AWEZNQCLSA-N 2 1 324.428 2.810 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCn4ccnc4C3)c2C1 ZINC000440144363 297145366 /nfs/dbraw/zinc/14/53/66/297145366.db2.gz JPRGKXIMKISQLR-AWEZNQCLSA-N 2 1 324.428 2.810 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(CC(=O)OC)CC2)CC1 ZINC000440694078 297162172 /nfs/dbraw/zinc/16/21/72/297162172.db2.gz QJJBWCLWDWCCSI-UHFFFAOYSA-N 2 1 310.482 2.774 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccccc1 ZINC000441172503 297174241 /nfs/dbraw/zinc/17/42/41/297174241.db2.gz HEEOMGBHYUSBQM-BHIYHBOVSA-N 2 1 318.461 2.639 20 0 DFADMP C[C@@H](CCc1ccccc1)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441339014 297180151 /nfs/dbraw/zinc/18/01/51/297180151.db2.gz GXFCFTQCTYKXQN-SFHVURJKSA-N 2 1 317.521 2.871 20 0 DFADMP C[N@@H+]1CCN(CC[NH2+]Cc2csc(C(C)(C)C)n2)CC1(C)C ZINC000441350817 297180737 /nfs/dbraw/zinc/18/07/37/297180737.db2.gz RGYNUQRGOGENBE-UHFFFAOYSA-N 2 1 324.538 2.556 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2csc(C(C)(C)C)n2)CC1(C)C ZINC000441350817 297180738 /nfs/dbraw/zinc/18/07/38/297180738.db2.gz RGYNUQRGOGENBE-UHFFFAOYSA-N 2 1 324.538 2.556 20 0 DFADMP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000442247261 297193248 /nfs/dbraw/zinc/19/32/48/297193248.db2.gz FJMCRIFYJQQYCT-LEOMRAHMSA-N 2 1 321.509 2.630 20 0 DFADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)co2)cc1 ZINC000442758506 297204468 /nfs/dbraw/zinc/20/44/68/297204468.db2.gz IZIDWKCLWPCWFW-OLZOCXBDSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)co2)cc1 ZINC000442758506 297204470 /nfs/dbraw/zinc/20/44/70/297204470.db2.gz IZIDWKCLWPCWFW-OLZOCXBDSA-N 2 1 301.390 2.519 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)n2)ccc1F ZINC000442780117 297205590 /nfs/dbraw/zinc/20/55/90/297205590.db2.gz NDWAIAJPXYPEFK-AVGNSLFASA-N 2 1 318.396 2.914 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)n2)ccc1F ZINC000442780117 297205592 /nfs/dbraw/zinc/20/55/92/297205592.db2.gz NDWAIAJPXYPEFK-AVGNSLFASA-N 2 1 318.396 2.914 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442774749 297205599 /nfs/dbraw/zinc/20/55/99/297205599.db2.gz AVCBFPMTANZETN-RYRKJORJSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442774749 297205602 /nfs/dbraw/zinc/20/56/02/297205602.db2.gz AVCBFPMTANZETN-RYRKJORJSA-N 2 1 317.477 2.559 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)n2)cc1F ZINC000442782812 297205906 /nfs/dbraw/zinc/20/59/06/297205906.db2.gz QILQYLVHSULQFZ-AVGNSLFASA-N 2 1 318.396 2.914 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)n2)cc1F ZINC000442782812 297205907 /nfs/dbraw/zinc/20/59/07/297205907.db2.gz QILQYLVHSULQFZ-AVGNSLFASA-N 2 1 318.396 2.914 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000442783126 297205942 /nfs/dbraw/zinc/20/59/42/297205942.db2.gz SLWYYCXYNAJVJF-CVEARBPZSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000442783126 297205943 /nfs/dbraw/zinc/20/59/43/297205943.db2.gz SLWYYCXYNAJVJF-CVEARBPZSA-N 2 1 323.440 2.961 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442787611 297206187 /nfs/dbraw/zinc/20/61/87/297206187.db2.gz HLBHTCMYXVAQGM-ILXRZTDVSA-N 2 1 317.477 2.808 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442787611 297206189 /nfs/dbraw/zinc/20/61/89/297206189.db2.gz HLBHTCMYXVAQGM-ILXRZTDVSA-N 2 1 317.477 2.808 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442787614 297206320 /nfs/dbraw/zinc/20/63/20/297206320.db2.gz HLBHTCMYXVAQGM-SOUVJXGZSA-N 2 1 317.477 2.808 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442787614 297206322 /nfs/dbraw/zinc/20/63/22/297206322.db2.gz HLBHTCMYXVAQGM-SOUVJXGZSA-N 2 1 317.477 2.808 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3sccc32)CC1(C)C ZINC000442873394 297208743 /nfs/dbraw/zinc/20/87/43/297208743.db2.gz KYAYYNMVLNINKN-OAHLLOKOSA-N 2 1 307.507 2.741 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442868236 297208856 /nfs/dbraw/zinc/20/88/56/297208856.db2.gz NJBLSFFJORPTCV-MSOLQXFVSA-N 2 1 307.526 2.963 20 0 DFADMP Cc1cccc2c1CC[C@@H]2[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442874496 297209291 /nfs/dbraw/zinc/20/92/91/297209291.db2.gz QPGCNWXATFKHPL-SFHVURJKSA-N 2 1 301.478 2.598 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1(C)C ZINC000442875998 297209338 /nfs/dbraw/zinc/20/93/38/297209338.db2.gz QFIYVJMTTNHLSB-INIZCTEOSA-N 2 1 319.493 2.909 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)[C@@H](C)C1 ZINC000442886659 297209827 /nfs/dbraw/zinc/20/98/27/297209827.db2.gz TUKDYYSQFAFZTJ-CMPLNLGQSA-N 2 1 304.360 2.591 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442922942 297211157 /nfs/dbraw/zinc/21/11/57/297211157.db2.gz LRARXDGYXHEALE-LBPRGKRZSA-N 2 1 306.841 2.788 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c(F)c1 ZINC000443056115 297213613 /nfs/dbraw/zinc/21/36/13/297213613.db2.gz CBAOEPJWHBOYRS-ZIAGYGMSSA-N 2 1 307.413 2.522 20 0 DFADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443060339 297213813 /nfs/dbraw/zinc/21/38/13/297213813.db2.gz OUZGXZOMIPAYQW-HNNXBMFYSA-N 2 1 317.477 2.983 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060704 297214318 /nfs/dbraw/zinc/21/43/18/297214318.db2.gz PRKSPCJOFSFSLG-QWHCGFSZSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060704 297214320 /nfs/dbraw/zinc/21/43/20/297214320.db2.gz PRKSPCJOFSFSLG-QWHCGFSZSA-N 2 1 309.841 2.728 20 0 DFADMP CC(C)CSCCC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000443625705 297223276 /nfs/dbraw/zinc/22/32/76/297223276.db2.gz HKAUCGFVLVJUOJ-OAHLLOKOSA-N 2 1 302.528 2.543 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449037331 297395840 /nfs/dbraw/zinc/39/58/40/297395840.db2.gz YQLJLTHCFFNNRF-UHFFFAOYSA-N 2 1 302.418 2.711 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449037331 297395842 /nfs/dbraw/zinc/39/58/42/297395842.db2.gz YQLJLTHCFFNNRF-UHFFFAOYSA-N 2 1 302.418 2.711 20 0 DFADMP CC(C)NC(=O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449058082 297398336 /nfs/dbraw/zinc/39/83/36/297398336.db2.gz GFERFUFZPZWNEV-UHFFFAOYSA-N 2 1 311.514 2.780 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000449126621 297409780 /nfs/dbraw/zinc/40/97/80/297409780.db2.gz USNQKMMLTINJDX-RYRKJORJSA-N 2 1 323.525 2.734 20 0 DFADMP COCC1CCC([NH2+]C2CC[NH+](CCOC(C)C)CC2)CC1 ZINC000449187239 297420093 /nfs/dbraw/zinc/42/00/93/297420093.db2.gz QDKQDCMYROGNNH-UHFFFAOYSA-N 2 1 312.498 2.671 20 0 DFADMP CC[NH+](CC)CCCC1CC[NH+](Cc2nccnc2OC)CC1 ZINC000449235684 297427085 /nfs/dbraw/zinc/42/70/85/297427085.db2.gz VJVAPSXUTWJBCP-UHFFFAOYSA-N 2 1 320.481 2.819 20 0 DFADMP CC(C)[C@H](CO)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000449506650 297481780 /nfs/dbraw/zinc/48/17/80/297481780.db2.gz CUPJSAXKSJBCRN-HOCLYGCPSA-N 2 1 313.511 2.583 20 0 DFADMP CCN1C[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000449523807 297485948 /nfs/dbraw/zinc/48/59/48/297485948.db2.gz ZHPJLWZITUFZBO-INIZCTEOSA-N 2 1 323.525 2.876 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000449621107 297501017 /nfs/dbraw/zinc/50/10/17/297501017.db2.gz GREQWQGILHCJOI-CVEARBPZSA-N 2 1 324.490 2.669 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000451154903 297756727 /nfs/dbraw/zinc/75/67/27/297756727.db2.gz NZXLOWXLNIFWJT-UHFFFAOYSA-N 2 1 305.466 2.989 20 0 DFADMP CCOC(=O)[C@@H]1CCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000451600630 297842634 /nfs/dbraw/zinc/84/26/34/297842634.db2.gz RSSYRQDVWRFWPL-CVEARBPZSA-N 2 1 307.438 2.683 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453174776 298068795 /nfs/dbraw/zinc/06/87/95/298068795.db2.gz PAGMJJVZKLPERZ-AABGKKOBSA-N 2 1 313.489 2.725 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192366 298070153 /nfs/dbraw/zinc/07/01/53/298070153.db2.gz GKZCHOFCBZVUBS-IRXDYDNUSA-N 2 1 308.853 2.837 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192366 298070154 /nfs/dbraw/zinc/07/01/54/298070154.db2.gz GKZCHOFCBZVUBS-IRXDYDNUSA-N 2 1 308.853 2.837 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000453303428 298081463 /nfs/dbraw/zinc/08/14/63/298081463.db2.gz BYIBVZSWFLLLOZ-NWDGAFQWSA-N 2 1 300.805 2.930 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000453303428 298081466 /nfs/dbraw/zinc/08/14/66/298081466.db2.gz BYIBVZSWFLLLOZ-NWDGAFQWSA-N 2 1 300.805 2.930 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@@H]2CCC[C@@H]21 ZINC000453339395 298084643 /nfs/dbraw/zinc/08/46/43/298084643.db2.gz LWYQMTUDPTYEGO-BCYZHJNNSA-N 2 1 315.461 2.764 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(C)cc2C)[C@H](C)C1 ZINC000453367157 298087133 /nfs/dbraw/zinc/08/71/33/298087133.db2.gz PRICJADTEQDOGV-VQIMIIECSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(C)cc2C)[C@H](C)C1 ZINC000453367157 298087135 /nfs/dbraw/zinc/08/71/35/298087135.db2.gz PRICJADTEQDOGV-VQIMIIECSA-N 2 1 319.493 2.925 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000453389504 298089505 /nfs/dbraw/zinc/08/95/05/298089505.db2.gz RKDZAJIEBFIQOG-HAGHYFMRSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-n2cncn2)cc1 ZINC000453399231 298090046 /nfs/dbraw/zinc/09/00/46/298090046.db2.gz LDOYUTBHVIIYHN-OAHLLOKOSA-N 2 1 313.449 2.792 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-n2ccnn2)c1 ZINC000453420101 298092533 /nfs/dbraw/zinc/09/25/33/298092533.db2.gz ZCSKSWDKIFETJV-HNNXBMFYSA-N 2 1 313.449 2.792 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cn2)[C@H](C)C1 ZINC000453439152 298095904 /nfs/dbraw/zinc/09/59/04/298095904.db2.gz VWAKJFRWCRNQEN-MJGOQNOKSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000357812968 298146194 /nfs/dbraw/zinc/14/61/94/298146194.db2.gz VEBSDJSVIWGFGW-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000454331081 298156967 /nfs/dbraw/zinc/15/69/67/298156967.db2.gz QMTWWIOGGJGCSY-KRWDZBQOSA-N 2 1 318.465 2.696 20 0 DFADMP Cc1cc(C)c(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)n1 ZINC000455489581 298368882 /nfs/dbraw/zinc/36/88/82/298368882.db2.gz VRPDLMKKEDPXNE-CABCVRRESA-N 2 1 302.422 2.755 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)ccc21 ZINC000456328890 298496880 /nfs/dbraw/zinc/49/68/80/298496880.db2.gz RRDAJGPFMSQWEJ-IRXDYDNUSA-N 2 1 324.428 2.948 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000495997984 300004913 /nfs/dbraw/zinc/00/49/13/300004913.db2.gz KXBKNXHKIUXUJJ-ILXRZTDVSA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000495997984 300004916 /nfs/dbraw/zinc/00/49/16/300004916.db2.gz KXBKNXHKIUXUJJ-ILXRZTDVSA-N 2 1 315.502 2.997 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000496483464 300069139 /nfs/dbraw/zinc/06/91/39/300069139.db2.gz YTQGVCKESKEYNX-DYVFJYSZSA-N 2 1 317.433 2.811 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496663123 300095546 /nfs/dbraw/zinc/09/55/46/300095546.db2.gz VVYOITRZGQFXFL-UHFFFAOYSA-N 2 1 313.486 2.660 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496663123 300095548 /nfs/dbraw/zinc/09/55/48/300095548.db2.gz VVYOITRZGQFXFL-UHFFFAOYSA-N 2 1 313.486 2.660 20 0 DFADMP CCOC(=O)N[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)CC(C)C ZINC000496831490 300120663 /nfs/dbraw/zinc/12/06/63/300120663.db2.gz WQDQHUULJWFEGG-RRQGHBQHSA-N 2 1 319.449 2.882 20 0 DFADMP Cc1cc(C)c(CNC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cn1 ZINC000514844370 300273860 /nfs/dbraw/zinc/27/38/60/300273860.db2.gz ZJQWWRGMDMNHTF-UHFFFAOYSA-N 2 1 318.465 2.714 20 0 DFADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000516063744 300328392 /nfs/dbraw/zinc/32/83/92/300328392.db2.gz WVYOHKAUQXEMSM-UHFFFAOYSA-N 2 1 308.376 2.548 20 0 DFADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000516063744 300328394 /nfs/dbraw/zinc/32/83/94/300328394.db2.gz WVYOHKAUQXEMSM-UHFFFAOYSA-N 2 1 308.376 2.548 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCC12CC2 ZINC000516088140 300329112 /nfs/dbraw/zinc/32/91/12/300329112.db2.gz AWMVJLOZWRXLAS-GOSISDBHSA-N 2 1 300.446 2.941 20 0 DFADMP C[N@@H+](CCC(=O)NC1CC[NH+](C2CCC2)CC1)C1CCCCC1 ZINC000516155176 300331942 /nfs/dbraw/zinc/33/19/42/300331942.db2.gz HYQLOWLVMBYPRG-UHFFFAOYSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1cccc(CCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000516185908 300333731 /nfs/dbraw/zinc/33/37/31/300333731.db2.gz QMBZHVRQZONVFL-UHFFFAOYSA-N 2 1 316.489 2.754 20 0 DFADMP c1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)on1 ZINC000516927791 300369900 /nfs/dbraw/zinc/36/99/00/300369900.db2.gz CIIJQTUNXQDRLT-OAHLLOKOSA-N 2 1 303.431 2.880 20 0 DFADMP c1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)on1 ZINC000516927791 300369904 /nfs/dbraw/zinc/36/99/04/300369904.db2.gz CIIJQTUNXQDRLT-OAHLLOKOSA-N 2 1 303.431 2.880 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032828 300379564 /nfs/dbraw/zinc/37/95/64/300379564.db2.gz CGDGNJGKWMFUMP-IPMKNSEASA-N 2 1 308.510 2.981 20 0 DFADMP CCn1nnc(C)c1C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000519076111 300442662 /nfs/dbraw/zinc/44/26/62/300442662.db2.gz YNVZDCZVUQMTKR-ZDUSSCGKSA-N 2 1 324.432 2.951 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000519761451 300475559 /nfs/dbraw/zinc/47/55/59/300475559.db2.gz CUKYXZIYZSVYFR-AWEZNQCLSA-N 3 1 316.493 2.906 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)Cc2ccsc2)CC1 ZINC000526994997 300632296 /nfs/dbraw/zinc/63/22/96/300632296.db2.gz PFKHDSQVCULMOC-CQSZACIVSA-N 2 1 317.458 2.905 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528761737 300845190 /nfs/dbraw/zinc/84/51/90/300845190.db2.gz MUNFXNWDTLUGJJ-UHFFFAOYSA-N 2 1 323.444 2.885 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000530176559 301025787 /nfs/dbraw/zinc/02/57/87/301025787.db2.gz CBLNAJXYHCKADV-BHIYHBOVSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178594 301026113 /nfs/dbraw/zinc/02/61/13/301026113.db2.gz OSAPHWANVZJWFJ-DOMZBBRYSA-N 2 1 321.852 2.931 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000530206611 301028780 /nfs/dbraw/zinc/02/87/80/301028780.db2.gz AVWCOPUBQFCLPY-IBGZPJMESA-N 2 1 320.452 2.847 20 0 DFADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CCC1CC[NH2+]CC1)C2 ZINC000530224563 301031646 /nfs/dbraw/zinc/03/16/46/301031646.db2.gz RAGPSJAOTKASMQ-UHFFFAOYSA-N 2 1 302.466 2.522 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)no1 ZINC000530239055 301033427 /nfs/dbraw/zinc/03/34/27/301033427.db2.gz CDJAEOPPBWOURV-INIZCTEOSA-N 2 1 321.465 2.563 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000530465186 301049904 /nfs/dbraw/zinc/04/99/04/301049904.db2.gz HXNLXFPRDNPKIB-KGLIPLIRSA-N 2 1 317.433 2.762 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728248 301106593 /nfs/dbraw/zinc/10/65/93/301106593.db2.gz KMOOMZDTRPFIOR-GGPKGHCWSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728248 301106596 /nfs/dbraw/zinc/10/65/96/301106596.db2.gz KMOOMZDTRPFIOR-GGPKGHCWSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000531728248 301106599 /nfs/dbraw/zinc/10/65/99/301106599.db2.gz KMOOMZDTRPFIOR-GGPKGHCWSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954935 301121184 /nfs/dbraw/zinc/12/11/84/301121184.db2.gz IKVLAAYNQNNNFF-ZIAGYGMSSA-N 2 1 301.434 2.564 20 0 DFADMP C[C@H]1CC[C@@H](CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000532345005 301146263 /nfs/dbraw/zinc/14/62/63/301146263.db2.gz BLKPZNFVIIGJME-LSDHHAIUSA-N 2 1 316.449 2.598 20 0 DFADMP CC[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC000532450158 301153361 /nfs/dbraw/zinc/15/33/61/301153361.db2.gz SQYREILWHBGMLE-MOKVOYLWSA-N 2 1 308.388 2.686 20 0 DFADMP C[C@H]1CC[N@@H+](CCNC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531759 301159062 /nfs/dbraw/zinc/15/90/62/301159062.db2.gz CLZAYBRWLHNTJU-AOIWGVFYSA-N 2 1 307.526 2.961 20 0 DFADMP CC[N@H+](CC(=O)N(CC[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000533089915 301185245 /nfs/dbraw/zinc/18/52/45/301185245.db2.gz SXIKBQOCSHCREG-UHFFFAOYSA-N 2 1 315.461 2.600 20 0 DFADMP CC[N@@H+](CC(=O)N(CC[NH+]1CCCC1)c1ccccc1)C1CC1 ZINC000533089915 301185249 /nfs/dbraw/zinc/18/52/49/301185249.db2.gz SXIKBQOCSHCREG-UHFFFAOYSA-N 2 1 315.461 2.600 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000533089853 301185392 /nfs/dbraw/zinc/18/53/92/301185392.db2.gz DVZOAXDMUDASTD-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000533360039 301198112 /nfs/dbraw/zinc/19/81/12/301198112.db2.gz WEGXNRXLRAXBJT-DZGCQCFKSA-N 2 1 319.449 2.646 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000533360039 301198114 /nfs/dbraw/zinc/19/81/14/301198114.db2.gz WEGXNRXLRAXBJT-DZGCQCFKSA-N 2 1 319.449 2.646 20 0 DFADMP CCCCc1noc([C@H](C)[N@@H+]2CC[C@H](c3nccn3C)C2)n1 ZINC000533865894 301214686 /nfs/dbraw/zinc/21/46/86/301214686.db2.gz GBPIVNDPXUCDND-STQMWFEESA-N 2 1 303.410 2.696 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000534579233 301234609 /nfs/dbraw/zinc/23/46/09/301234609.db2.gz HCYMIPBNVXNGAA-GJZGRUSLSA-N 2 1 312.417 2.545 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)N1CC[C@H](c2nccn2C)C1 ZINC000534579233 301234611 /nfs/dbraw/zinc/23/46/11/301234611.db2.gz HCYMIPBNVXNGAA-GJZGRUSLSA-N 2 1 312.417 2.545 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000534974394 301240488 /nfs/dbraw/zinc/24/04/88/301240488.db2.gz NKMRGOCULPOPKK-NVXWUHKLSA-N 2 1 308.853 2.764 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000534974396 301240814 /nfs/dbraw/zinc/24/08/14/301240814.db2.gz NKMRGOCULPOPKK-RDJZCZTQSA-N 2 1 308.853 2.764 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2csnn2)C[N@@H+]1Cc1ccccc1 ZINC000540628272 301366362 /nfs/dbraw/zinc/36/63/62/301366362.db2.gz VTXVLIKIFSFETO-GOEBONIOSA-N 2 1 316.474 2.928 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2csnn2)C[N@H+]1Cc1ccccc1 ZINC000540628272 301366364 /nfs/dbraw/zinc/36/63/64/301366364.db2.gz VTXVLIKIFSFETO-GOEBONIOSA-N 2 1 316.474 2.928 20 0 DFADMP CC(C)c1cc(N2CC[C@@H](C[NH+]3CCCC3)C2)nc(N(C)C)[nH+]1 ZINC000549526794 301637086 /nfs/dbraw/zinc/63/70/86/301637086.db2.gz VTJPSIFITQAMOS-HNNXBMFYSA-N 2 1 317.481 2.588 20 0 DFADMP c1c[nH+]c(N2CC[NH+](CCOc3cccc4ccccc43)CC2)[nH]1 ZINC000562372038 301966431 /nfs/dbraw/zinc/96/64/31/301966431.db2.gz YVHSTDYSFAXUMG-UHFFFAOYSA-N 2 1 322.412 2.764 20 0 DFADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1C[NH3+] ZINC000562955489 302017613 /nfs/dbraw/zinc/01/76/13/302017613.db2.gz YWEIYDIEUJCHKP-UKTARXLSSA-N 2 1 309.479 2.800 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@@H]1C[NH3+] ZINC000562955489 302017617 /nfs/dbraw/zinc/01/76/17/302017617.db2.gz YWEIYDIEUJCHKP-UKTARXLSSA-N 2 1 309.479 2.800 20 0 DFADMP C[C@H]1C[NH+](CCSCC[N@@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000563437749 302073366 /nfs/dbraw/zinc/07/33/66/302073366.db2.gz BTFSZRUOEWRLFQ-IRXDYDNUSA-N 2 1 322.518 2.961 20 0 DFADMP Cn1c[nH+]cc1CCCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000563720960 302095153 /nfs/dbraw/zinc/09/51/53/302095153.db2.gz DGRFZVXFJLLFAY-UHFFFAOYSA-N 2 1 318.509 2.941 20 0 DFADMP Cn1c[nH+]cc1CCCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000563720960 302095156 /nfs/dbraw/zinc/09/51/56/302095156.db2.gz DGRFZVXFJLLFAY-UHFFFAOYSA-N 2 1 318.509 2.941 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CC1([NH+](C)C)CCCC1 ZINC000563880971 302105660 /nfs/dbraw/zinc/10/56/60/302105660.db2.gz HWYXTRIRTCLHHV-UHFFFAOYSA-N 2 1 321.440 2.927 20 0 DFADMP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Nc1ccc(F)cc1 ZINC000564074206 302116727 /nfs/dbraw/zinc/11/67/27/302116727.db2.gz CPJJEXCEPCHKKB-IXDOHACOSA-N 2 1 319.424 2.665 20 0 DFADMP CC[NH2+]CCC[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000564823255 302161080 /nfs/dbraw/zinc/16/10/80/302161080.db2.gz XQQIDUNACRVBHZ-CQSZACIVSA-N 2 1 304.356 2.982 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155533 302198728 /nfs/dbraw/zinc/19/87/28/302198728.db2.gz GHJWTQMSFBNBAY-OALUTQOASA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155533 302198731 /nfs/dbraw/zinc/19/87/31/302198731.db2.gz GHJWTQMSFBNBAY-OALUTQOASA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155533 302198732 /nfs/dbraw/zinc/19/87/32/302198732.db2.gz GHJWTQMSFBNBAY-OALUTQOASA-N 2 1 304.478 2.644 20 0 DFADMP CN(CCCc1c[nH+]cn1C)C(C)(C)C[NH+]1CCCCCC1 ZINC000565158608 302199347 /nfs/dbraw/zinc/19/93/47/302199347.db2.gz TZIPGSWIMFZBNA-UHFFFAOYSA-N 2 1 306.498 2.939 20 0 DFADMP C[C@@H]1C[C@@H](NC2CC([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000565218805 302208914 /nfs/dbraw/zinc/20/89/14/302208914.db2.gz PCKPQNRBTDVMCO-SVUBNXHSSA-N 2 1 301.478 2.722 20 0 DFADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000565409410 302223349 /nfs/dbraw/zinc/22/33/49/302223349.db2.gz HCDGXYRICRULIG-PFDJBOQJSA-N 3 1 313.489 2.975 20 0 DFADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000565409412 302223465 /nfs/dbraw/zinc/22/34/65/302223465.db2.gz HCDGXYRICRULIG-XDZNWWHASA-N 3 1 313.489 2.975 20 0 DFADMP CCCOc1c(Cl)cc(C[N@H+](C)CCC[NH3+])cc1OC ZINC000565538980 302229295 /nfs/dbraw/zinc/22/92/95/302229295.db2.gz JRIBDPOSWDJFFB-UHFFFAOYSA-N 2 1 300.830 2.918 20 0 DFADMP CCCOc1c(Cl)cc(C[N@@H+](C)CCC[NH3+])cc1OC ZINC000565538980 302229297 /nfs/dbraw/zinc/22/92/97/302229297.db2.gz JRIBDPOSWDJFFB-UHFFFAOYSA-N 2 1 300.830 2.918 20 0 DFADMP CCOc1ccc(CN(C[C@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC000565841598 302244395 /nfs/dbraw/zinc/24/43/95/302244395.db2.gz GCKMCOGYVRFYIP-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[N@H+](C[C@H](O)CN(C)CC)C(C)C)cc1 ZINC000565841598 302244397 /nfs/dbraw/zinc/24/43/97/302244397.db2.gz GCKMCOGYVRFYIP-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[N@@H+](C[C@H](O)CN(C)CC)C(C)C)cc1 ZINC000565841598 302244399 /nfs/dbraw/zinc/24/43/99/302244399.db2.gz GCKMCOGYVRFYIP-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[N@H+](C[C@H](O)C[NH+](C)CC)C(C)C)cc1 ZINC000565841598 302244402 /nfs/dbraw/zinc/24/44/02/302244402.db2.gz GCKMCOGYVRFYIP-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[N@@H+](C[C@H](O)C[NH+](C)CC)C(C)C)cc1 ZINC000565841598 302244404 /nfs/dbraw/zinc/24/44/04/302244404.db2.gz GCKMCOGYVRFYIP-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[NH+](C[C@H](O)C[N@H+](C)CC)C(C)C)cc1 ZINC000565841598 302244406 /nfs/dbraw/zinc/24/44/06/302244406.db2.gz GCKMCOGYVRFYIP-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCOc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)CC)C(C)C)cc1 ZINC000565841598 302244408 /nfs/dbraw/zinc/24/44/08/302244408.db2.gz GCKMCOGYVRFYIP-QGZVFWFLSA-N 2 1 308.466 2.608 20 0 DFADMP CCN(C(=O)CCCC[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000565890562 302247519 /nfs/dbraw/zinc/24/75/19/302247519.db2.gz UJYLNBGYVVPHAP-SJLPKXTDSA-N 2 1 317.477 2.799 20 0 DFADMP OC[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000565951438 302250110 /nfs/dbraw/zinc/25/01/10/302250110.db2.gz NMERZIPMQAHWNB-RTBURBONSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000565951438 302250111 /nfs/dbraw/zinc/25/01/11/302250111.db2.gz NMERZIPMQAHWNB-RTBURBONSA-N 2 1 314.473 2.792 20 0 DFADMP COc1cncc(/C=C/CC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000566156645 302264103 /nfs/dbraw/zinc/26/41/03/302264103.db2.gz ZXFOXGIXYORCJM-MCKRRDHZSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C/CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000566156645 302264105 /nfs/dbraw/zinc/26/41/05/302264105.db2.gz ZXFOXGIXYORCJM-MCKRRDHZSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C/CC[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000566156645 302264107 /nfs/dbraw/zinc/26/41/07/302264107.db2.gz ZXFOXGIXYORCJM-MCKRRDHZSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C/CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000566156645 302264109 /nfs/dbraw/zinc/26/41/09/302264109.db2.gz ZXFOXGIXYORCJM-MCKRRDHZSA-N 2 1 303.450 2.908 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000566442101 302287056 /nfs/dbraw/zinc/28/70/56/302287056.db2.gz CAXTXURQTFVNSK-UHFFFAOYSA-N 2 1 303.450 2.727 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1cc(F)cc(F)c1 ZINC000566615341 302299338 /nfs/dbraw/zinc/29/93/38/302299338.db2.gz JTCDAUCWJAHGQO-HOTGVXAUSA-N 2 1 323.387 2.510 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)Nc1cc(F)cc(F)c1 ZINC000566615341 302299342 /nfs/dbraw/zinc/29/93/42/302299342.db2.gz JTCDAUCWJAHGQO-HOTGVXAUSA-N 2 1 323.387 2.510 20 0 DFADMP CO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000567064078 302333110 /nfs/dbraw/zinc/33/31/10/302333110.db2.gz TWUBXXWEDDIMMR-FZDBZEDMSA-N 2 1 312.498 2.765 20 0 DFADMP CO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000567064078 302333112 /nfs/dbraw/zinc/33/31/12/302333112.db2.gz TWUBXXWEDDIMMR-FZDBZEDMSA-N 2 1 312.498 2.765 20 0 DFADMP CO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000567064078 302333114 /nfs/dbraw/zinc/33/31/14/302333114.db2.gz TWUBXXWEDDIMMR-FZDBZEDMSA-N 2 1 312.498 2.765 20 0 DFADMP CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000567144929 302339524 /nfs/dbraw/zinc/33/95/24/302339524.db2.gz UCEBGWRNWMPENJ-UHFFFAOYSA-N 2 1 316.449 2.533 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c(C)c1 ZINC000567674177 302378189 /nfs/dbraw/zinc/37/81/89/302378189.db2.gz BEYGMBQLWQGRPK-CQSZACIVSA-N 2 1 313.449 2.739 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853431 302393027 /nfs/dbraw/zinc/39/30/27/302393027.db2.gz AWJBXGMAPXCCCB-BPQIPLTHSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853431 302393029 /nfs/dbraw/zinc/39/30/29/302393029.db2.gz AWJBXGMAPXCCCB-BPQIPLTHSA-N 2 1 300.446 2.951 20 0 DFADMP CC(C)OC[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000567891805 302396604 /nfs/dbraw/zinc/39/66/04/302396604.db2.gz UHKADNULDIOHPX-VQIMIIECSA-N 2 1 320.477 2.588 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000567894141 302397031 /nfs/dbraw/zinc/39/70/31/302397031.db2.gz MHLZVURBVJBMRC-HOCLYGCPSA-N 2 1 305.466 2.559 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000567894142 302397274 /nfs/dbraw/zinc/39/72/74/302397274.db2.gz MHLZVURBVJBMRC-ZBFHGGJFSA-N 2 1 305.466 2.559 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000567894140 302397338 /nfs/dbraw/zinc/39/73/38/302397338.db2.gz MHLZVURBVJBMRC-GOEBONIOSA-N 2 1 305.466 2.559 20 0 DFADMP CC(C)CSCCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000570814231 302594176 /nfs/dbraw/zinc/59/41/76/302594176.db2.gz YBTNAGLMEQWBTQ-UHFFFAOYSA-N 2 1 302.528 2.591 20 0 DFADMP COc1ccc([C@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000572354904 302657070 /nfs/dbraw/zinc/65/70/70/302657070.db2.gz OWMNDGCPBSCSIL-OPNNQBFTSA-N 2 1 318.461 2.629 20 0 DFADMP CCCCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000181751870 316071538 /nfs/dbraw/zinc/07/15/38/316071538.db2.gz YWAQUGKTHICSKR-JKSUJKDBSA-N 2 1 312.498 2.671 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182234099 316092095 /nfs/dbraw/zinc/09/20/95/316092095.db2.gz SSSOOKCXDAVXFA-IAGOWNOFSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184269911 316163262 /nfs/dbraw/zinc/16/32/62/316163262.db2.gz JYVDJEUMLDKQEV-AWEZNQCLSA-N 2 1 310.405 2.513 20 0 DFADMP COC[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CCOCC1 ZINC000187710956 316213511 /nfs/dbraw/zinc/21/35/11/316213511.db2.gz NWEPCUGZNCEUGR-IBGZPJMESA-N 2 1 320.477 2.540 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000322156148 316258184 /nfs/dbraw/zinc/25/81/84/316258184.db2.gz ALABXJCUVCIYGG-KBAYOESNSA-N 2 1 315.461 2.552 20 0 DFADMP CCc1nc2c(s1)[C@@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000360021777 316573712 /nfs/dbraw/zinc/57/37/12/316573712.db2.gz WOYYOTBKQYYCIS-RYUDHWBXSA-N 2 1 302.447 2.884 20 0 DFADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414794127 316660018 /nfs/dbraw/zinc/66/00/18/316660018.db2.gz LLPJENDIOGHEMA-LBPRGKRZSA-N 2 1 308.319 2.840 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]([NH3+])C(C)C)cc1Br ZINC000414801356 316662580 /nfs/dbraw/zinc/66/25/80/316662580.db2.gz UATZVQGAMUNQKQ-GFCCVEGCSA-N 2 1 301.228 2.531 20 0 DFADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000449667098 317049614 /nfs/dbraw/zinc/04/96/14/317049614.db2.gz FQLYPXQDOGTSNA-IBGZPJMESA-N 2 1 321.424 2.893 20 0 DFADMP C[C@H](O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450500754 317099508 /nfs/dbraw/zinc/09/95/08/317099508.db2.gz LZEZPLZBXDJJLG-YTQUADARSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450500754 317099513 /nfs/dbraw/zinc/09/95/13/317099513.db2.gz LZEZPLZBXDJJLG-YTQUADARSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450500754 317099516 /nfs/dbraw/zinc/09/95/16/317099516.db2.gz LZEZPLZBXDJJLG-YTQUADARSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450504565 317101134 /nfs/dbraw/zinc/10/11/34/317101134.db2.gz YOFDQYDRPPHUMT-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000453140544 317164704 /nfs/dbraw/zinc/16/47/04/317164704.db2.gz QJFRVCIJTWABMX-SLFFLAALSA-N 2 1 324.472 2.916 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000453370080 317181577 /nfs/dbraw/zinc/18/15/77/317181577.db2.gz FKMVMLULXCJOBF-LZQZEXGQSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000458236532 317269944 /nfs/dbraw/zinc/26/99/44/317269944.db2.gz YJNXMWAYPQSZND-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000458236532 317269945 /nfs/dbraw/zinc/26/99/45/317269945.db2.gz YJNXMWAYPQSZND-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000458236532 317269947 /nfs/dbraw/zinc/26/99/47/317269947.db2.gz YJNXMWAYPQSZND-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP O[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC[C@H](C(F)(F)F)C1 ZINC000459510843 317327905 /nfs/dbraw/zinc/32/79/05/317327905.db2.gz MEWUHQWTTCRXRM-SWLSCSKDSA-N 2 1 320.399 2.686 20 0 DFADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000487610702 317350032 /nfs/dbraw/zinc/35/00/32/317350032.db2.gz ZLCGVFYYSPYWJU-SMDDNHRTSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000487610702 317350033 /nfs/dbraw/zinc/35/00/33/317350033.db2.gz ZLCGVFYYSPYWJU-SMDDNHRTSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000487610683 317350293 /nfs/dbraw/zinc/35/02/93/317350293.db2.gz ZLCGVFYYSPYWJU-BXUZGUMPSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000487610683 317350296 /nfs/dbraw/zinc/35/02/96/317350296.db2.gz ZLCGVFYYSPYWJU-BXUZGUMPSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@H](C[NH2+]Cc1ccccc1OCc1ccncc1)C[NH+](C)C ZINC000491550771 317583255 /nfs/dbraw/zinc/58/32/55/317583255.db2.gz YWAPZUGHYVHZEJ-MRXNPFEDSA-N 2 1 313.445 2.948 20 0 DFADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179643 317773676 /nfs/dbraw/zinc/77/36/76/317773676.db2.gz ZONMHMCCXYOVDH-PBHICJAKSA-N 2 1 315.461 2.840 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(CCCc2c[nH+]cn2C)C1 ZINC000570938115 317972407 /nfs/dbraw/zinc/97/24/07/317972407.db2.gz CFRIZYIHJIVKNQ-JFIYKMOQSA-N 2 1 304.482 2.690 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000574510697 318022588 /nfs/dbraw/zinc/02/25/88/318022588.db2.gz TXASKSLOZMCRQC-JSGCOSHPSA-N 2 1 318.387 2.846 20 0 DFADMP CCC(CC)(C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000574869148 318045760 /nfs/dbraw/zinc/04/57/60/318045760.db2.gz PFKOCTBRWPBNQD-SFHVURJKSA-N 2 1 304.478 2.789 20 0 DFADMP CCC(CC)(C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000574869148 318045762 /nfs/dbraw/zinc/04/57/62/318045762.db2.gz PFKOCTBRWPBNQD-SFHVURJKSA-N 2 1 304.478 2.789 20 0 DFADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000575988794 318096641 /nfs/dbraw/zinc/09/66/41/318096641.db2.gz ZKUDAKFKBBKBMS-OAHLLOKOSA-N 2 1 312.841 2.678 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000575988794 318096643 /nfs/dbraw/zinc/09/66/43/318096643.db2.gz ZKUDAKFKBBKBMS-OAHLLOKOSA-N 2 1 312.841 2.678 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000576030479 318099319 /nfs/dbraw/zinc/09/93/19/318099319.db2.gz YIQZPNYMZZNBML-SJLPKXTDSA-N 2 1 324.896 2.811 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1Br ZINC000576274836 318115026 /nfs/dbraw/zinc/11/50/26/318115026.db2.gz WLUSUEHAKJCOHD-LLVKDONJSA-N 2 1 300.244 2.798 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cc[nH+]cc1Br ZINC000576274836 318115028 /nfs/dbraw/zinc/11/50/28/318115028.db2.gz WLUSUEHAKJCOHD-LLVKDONJSA-N 2 1 300.244 2.798 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)CC23CC3)cc1 ZINC000576516525 318131501 /nfs/dbraw/zinc/13/15/01/318131501.db2.gz FBVRVPDKQDJTCB-ZWKOTPCHSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCCOC3)CC23CC3)cc1 ZINC000576516525 318131503 /nfs/dbraw/zinc/13/15/03/318131503.db2.gz FBVRVPDKQDJTCB-ZWKOTPCHSA-N 2 1 300.446 2.952 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000576842506 318154738 /nfs/dbraw/zinc/15/47/38/318154738.db2.gz MMIRNFNAYMKTOC-LVQVYYBASA-N 2 1 307.507 2.671 20 0 DFADMP CC(C)(C)N1CC[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1=O ZINC000576935029 318160042 /nfs/dbraw/zinc/16/00/42/318160042.db2.gz HHTJQDUBYQDSQV-QGZVFWFLSA-N 2 1 321.509 2.773 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000577191884 318177356 /nfs/dbraw/zinc/17/73/56/318177356.db2.gz ZLZUTAPUTWHRHQ-QWHCGFSZSA-N 2 1 308.388 2.544 20 0 DFADMP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000577363131 318187840 /nfs/dbraw/zinc/18/78/40/318187840.db2.gz YJHOKZXJVGGLBJ-IPELMVKDSA-N 2 1 303.494 2.829 20 0 DFADMP C[N@@H+](CCC[NH2+]C[C@H](O)Cc1ccccc1)Cc1ccccc1 ZINC000577500434 318197426 /nfs/dbraw/zinc/19/74/26/318197426.db2.gz JEOQXZHVCWXDER-HXUWFJFHSA-N 2 1 312.457 2.702 20 0 DFADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577869541 318223378 /nfs/dbraw/zinc/22/33/78/318223378.db2.gz OVJBCBNIITZJHC-WMZOPIPTSA-N 2 1 301.478 2.723 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000578450836 318262154 /nfs/dbraw/zinc/26/21/54/318262154.db2.gz MQYVXPKPZQMIHO-QGZVFWFLSA-N 2 1 315.465 2.831 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](c2cnn(C)c2)C(C)(C)C1 ZINC000578450836 318262156 /nfs/dbraw/zinc/26/21/56/318262156.db2.gz MQYVXPKPZQMIHO-QGZVFWFLSA-N 2 1 315.465 2.831 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000578523658 318267216 /nfs/dbraw/zinc/26/72/16/318267216.db2.gz KKFDINKARDKPEK-MNOVXSKESA-N 2 1 300.244 2.835 20 0 DFADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCCC[C@H]1C ZINC000578728037 318280831 /nfs/dbraw/zinc/28/08/31/318280831.db2.gz WSTVETUAIOCIJS-KGLIPLIRSA-N 2 1 316.449 2.674 20 0 DFADMP C[C@H]1COCC[N@@H+]1C1CCN(C/C=C\c2ccccc2)CC1 ZINC000578879420 318292390 /nfs/dbraw/zinc/29/23/90/318292390.db2.gz UPACTSLIEGEAEN-AFCDSYGPSA-N 2 1 300.446 2.885 20 0 DFADMP C[C@H]1COCC[N@H+]1C1CCN(C/C=C\c2ccccc2)CC1 ZINC000578879420 318292391 /nfs/dbraw/zinc/29/23/91/318292391.db2.gz UPACTSLIEGEAEN-AFCDSYGPSA-N 2 1 300.446 2.885 20 0 DFADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578981621 318299592 /nfs/dbraw/zinc/29/95/92/318299592.db2.gz PSCGQSYIIJUYGS-BYUNMRKYSA-N 2 1 302.462 2.756 20 0 DFADMP Cc1noc(C2CCC([NH2+]C[C@@H]3[NH2+]CCCC3(C)C)CC2)n1 ZINC000579342472 318323736 /nfs/dbraw/zinc/32/37/36/318323736.db2.gz MMHBMZXNKRYJMJ-NRXISQOPSA-N 2 1 306.454 2.772 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000579610817 318342928 /nfs/dbraw/zinc/34/29/28/318342928.db2.gz LAYALSMSHMDOGD-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000579719073 318349807 /nfs/dbraw/zinc/34/98/07/318349807.db2.gz SRAKKQCCZBSHTN-UHFFFAOYSA-N 3 1 323.484 2.942 20 0 DFADMP [NH3+]Cc1ccc(CNC2CC[NH+](CCc3ccccc3)CC2)cc1 ZINC000579719073 318349810 /nfs/dbraw/zinc/34/98/10/318349810.db2.gz SRAKKQCCZBSHTN-UHFFFAOYSA-N 2 1 323.484 2.942 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3cncn3)c(F)c2)CCCCCC1 ZINC000579811475 318355691 /nfs/dbraw/zinc/35/56/91/318355691.db2.gz XGIMAJBBTGMZRY-UHFFFAOYSA-N 2 1 317.412 2.548 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000191790363 323238865 /nfs/dbraw/zinc/23/88/65/323238865.db2.gz HJGWCYIJOLUBPL-MRXNPFEDSA-N 2 1 311.514 2.593 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000191790363 323238868 /nfs/dbraw/zinc/23/88/68/323238868.db2.gz HJGWCYIJOLUBPL-MRXNPFEDSA-N 2 1 311.514 2.593 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000193459849 323254794 /nfs/dbraw/zinc/25/47/94/323254794.db2.gz WTVMXITVEIFZFA-INIZCTEOSA-N 2 1 315.465 2.992 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)O[C@H](C)C2 ZINC000378911215 323287692 /nfs/dbraw/zinc/28/76/92/323287692.db2.gz IVXVTDBMBJEJRO-KGLIPLIRSA-N 2 1 316.445 2.593 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)O[C@H](C)C2 ZINC000378911215 323287694 /nfs/dbraw/zinc/28/76/94/323287694.db2.gz IVXVTDBMBJEJRO-KGLIPLIRSA-N 2 1 316.445 2.593 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)O[C@@H](C)C2 ZINC000378911216 323287772 /nfs/dbraw/zinc/28/77/72/323287772.db2.gz IVXVTDBMBJEJRO-UONOGXRCSA-N 2 1 316.445 2.593 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)O[C@@H](C)C2 ZINC000378911216 323287774 /nfs/dbraw/zinc/28/77/74/323287774.db2.gz IVXVTDBMBJEJRO-UONOGXRCSA-N 2 1 316.445 2.593 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000382719074 323301381 /nfs/dbraw/zinc/30/13/81/323301381.db2.gz JSBZYTIQIUDRJM-ROUUACIJSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000382719074 323301383 /nfs/dbraw/zinc/30/13/83/323301383.db2.gz JSBZYTIQIUDRJM-ROUUACIJSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000382719074 323301386 /nfs/dbraw/zinc/30/13/86/323301386.db2.gz JSBZYTIQIUDRJM-ROUUACIJSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[NH2+]C(C)(C)C ZINC000382754588 323302444 /nfs/dbraw/zinc/30/24/44/323302444.db2.gz GKNGWZUSVXWTAZ-KRWDZBQOSA-N 2 1 303.494 2.971 20 0 DFADMP CCCN(CC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382842210 323303499 /nfs/dbraw/zinc/30/34/99/323303499.db2.gz WFLKPCIRMMRURK-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@]1(CN[C@H]2CCC[C@@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000398024895 323356413 /nfs/dbraw/zinc/35/64/13/323356413.db2.gz XRBPPDIDYCPPES-CEXWTWQISA-N 2 1 301.478 2.901 20 0 DFADMP C[C@]1(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000398024895 323356416 /nfs/dbraw/zinc/35/64/16/323356416.db2.gz XRBPPDIDYCPPES-CEXWTWQISA-N 2 1 301.478 2.901 20 0 DFADMP C[N@@H+](CCC[NH2+]CCC(=O)Nc1cccnc1)C1CCCCC1 ZINC000580388710 323377107 /nfs/dbraw/zinc/37/71/07/323377107.db2.gz LWDJRTUIOMNGPT-UHFFFAOYSA-N 2 1 318.465 2.654 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CC2(C)CC2)CC1)Cc1ccccc1 ZINC000580387904 323377152 /nfs/dbraw/zinc/37/71/52/323377152.db2.gz IFJDPDMNXGXDEZ-UHFFFAOYSA-N 2 1 301.478 2.536 20 0 DFADMP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)sc2c1CCCC2 ZINC000580432091 323384600 /nfs/dbraw/zinc/38/46/00/323384600.db2.gz VVZPGBNVFWWYKO-BBWFWOEESA-N 2 1 320.502 2.874 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378691 337233017 /nfs/dbraw/zinc/23/30/17/337233017.db2.gz UBKDAELLZZCJSH-WMLDXEAASA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378691 337233018 /nfs/dbraw/zinc/23/30/18/337233018.db2.gz UBKDAELLZZCJSH-WMLDXEAASA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378691 337233019 /nfs/dbraw/zinc/23/30/19/337233019.db2.gz UBKDAELLZZCJSH-WMLDXEAASA-N 2 1 316.474 2.850 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(CC[NH+]2CCCC2)c1)[NH+]1CC(C)C1 ZINC000572734216 500879486 /nfs/dbraw/zinc/87/94/86/500879486.db2.gz YUZSFAJZIDSGRU-INIZCTEOSA-N 2 1 315.461 2.604 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c(-c2cnn(C)c2)c1 ZINC000292677922 533956465 /nfs/dbraw/zinc/95/64/65/533956465.db2.gz AKTRZNMDMGALQB-FQEVSTJZSA-N 2 1 324.472 2.923 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c(-c2cnn(C)c2)c1 ZINC000292677922 533956474 /nfs/dbraw/zinc/95/64/74/533956474.db2.gz AKTRZNMDMGALQB-FQEVSTJZSA-N 2 1 324.472 2.923 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(-c2cnn(C)c2)c1 ZINC000292677922 533956481 /nfs/dbraw/zinc/95/64/81/533956481.db2.gz AKTRZNMDMGALQB-FQEVSTJZSA-N 2 1 324.472 2.923 20 0 DFADMP C[C@@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000318004466 534032254 /nfs/dbraw/zinc/03/22/54/534032254.db2.gz GWIWZSAYEDEGOT-CHWSQXEVSA-N 2 1 320.462 2.647 20 0 DFADMP CC(C)[NH2+]CCN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000368456915 519721376 /nfs/dbraw/zinc/72/13/76/519721376.db2.gz DWHSAVSPEAWYSS-UHFFFAOYSA-N 2 1 315.505 2.973 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1ccc(Br)cn1 ZINC000157336486 519817758 /nfs/dbraw/zinc/81/77/58/519817758.db2.gz ZUQDOSGXNYAGHQ-CYBMUJFWSA-N 2 1 300.244 2.649 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Br)cn1 ZINC000157336486 519817759 /nfs/dbraw/zinc/81/77/59/519817759.db2.gz ZUQDOSGXNYAGHQ-CYBMUJFWSA-N 2 1 300.244 2.649 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000367617427 520371395 /nfs/dbraw/zinc/37/13/95/520371395.db2.gz NECVRNCQLGEGHM-BBWFWOEESA-N 2 1 303.450 2.833 20 0 DFADMP CCOC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000367658258 520690172 /nfs/dbraw/zinc/69/01/72/520690172.db2.gz JPSCLFFWYXGTBE-GFCCVEGCSA-N 2 1 319.380 2.924 20 0 DFADMP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OCC ZINC000154903088 520954697 /nfs/dbraw/zinc/95/46/97/520954697.db2.gz UIAJLFZXFUUNNU-DOTOQJQBSA-N 2 1 320.477 2.956 20 0 DFADMP CC[N@H+](CC[NH2+]C1CCN(c2nc(C)cs2)CC1)C(C)C ZINC000156582550 521074810 /nfs/dbraw/zinc/07/48/10/521074810.db2.gz XTSSKEOAWGHFPL-UHFFFAOYSA-N 2 1 310.511 2.740 20 0 DFADMP CC[N@@H+](CC[NH2+]C1CCN(c2nc(C)cs2)CC1)C(C)C ZINC000156582550 521074816 /nfs/dbraw/zinc/07/48/16/521074816.db2.gz XTSSKEOAWGHFPL-UHFFFAOYSA-N 2 1 310.511 2.740 20 0 DFADMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000156782935 521608992 /nfs/dbraw/zinc/60/89/92/521608992.db2.gz AWCDVVXPMWYDSZ-UHFFFAOYSA-N 2 1 310.511 2.742 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000156782935 521608997 /nfs/dbraw/zinc/60/89/97/521608997.db2.gz AWCDVVXPMWYDSZ-UHFFFAOYSA-N 2 1 310.511 2.742 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC000154527796 521679803 /nfs/dbraw/zinc/67/98/03/521679803.db2.gz JEXXGUZJXOSTIJ-MRXNPFEDSA-N 2 1 307.457 2.894 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1cccc(OC)c1 ZINC000154828568 522563484 /nfs/dbraw/zinc/56/34/84/522563484.db2.gz FTGBGRUXVMKENZ-SFHVURJKSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157079833 524096129 /nfs/dbraw/zinc/09/61/29/524096129.db2.gz TWGUZDCEYMDSNT-QGZVFWFLSA-N 2 1 324.509 2.504 20 0 DFADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)nc1 ZINC000158104422 524436175 /nfs/dbraw/zinc/43/61/75/524436175.db2.gz LYOGUQYJZXEMDU-CALCHBBNSA-N 2 1 317.477 2.711 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000249298950 524915282 /nfs/dbraw/zinc/91/52/82/524915282.db2.gz FSBUCLVCWARCHR-QBPKDAKJSA-N 2 1 305.466 2.735 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361194957 534903544 /nfs/dbraw/zinc/90/35/44/534903544.db2.gz DWZOSZMIGABSGN-KRWDZBQOSA-N 2 1 303.450 2.870 20 0 DFADMP CC(C)(C)NC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309765096 526300483 /nfs/dbraw/zinc/30/04/83/526300483.db2.gz ZGNRCFKVVXGMFN-INIZCTEOSA-N 2 1 302.466 2.811 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000358155765 536481440 /nfs/dbraw/zinc/48/14/40/536481440.db2.gz FUIXVRLVZZQHKM-KRWDZBQOSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000358155765 536481444 /nfs/dbraw/zinc/48/14/44/536481444.db2.gz FUIXVRLVZZQHKM-KRWDZBQOSA-N 2 1 320.433 2.710 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000163346758 527397096 /nfs/dbraw/zinc/39/70/96/527397096.db2.gz HAYKOXNFPNXHRF-QGZVFWFLSA-N 2 1 315.465 2.660 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000163346758 527397104 /nfs/dbraw/zinc/39/71/04/527397104.db2.gz HAYKOXNFPNXHRF-QGZVFWFLSA-N 2 1 315.465 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841138 527832293 /nfs/dbraw/zinc/83/22/93/527832293.db2.gz BDQZWWKPNUEVSB-QRQLOZEOSA-N 2 1 304.478 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841138 527832297 /nfs/dbraw/zinc/83/22/97/527832297.db2.gz BDQZWWKPNUEVSB-QRQLOZEOSA-N 2 1 304.478 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841138 527832301 /nfs/dbraw/zinc/83/23/01/527832301.db2.gz BDQZWWKPNUEVSB-QRQLOZEOSA-N 2 1 304.478 2.906 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1 ZINC000299609914 528002003 /nfs/dbraw/zinc/00/20/03/528002003.db2.gz OEQURTMKVJSMOZ-OAHLLOKOSA-N 2 1 305.466 2.598 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000324289399 528337067 /nfs/dbraw/zinc/33/70/67/528337067.db2.gz IWHSZQWBLGRFSU-ROUUACIJSA-N 2 1 323.525 2.865 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000299325858 528460633 /nfs/dbraw/zinc/46/06/33/528460633.db2.gz OIPPFXRXTVBNQQ-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000294997692 528556240 /nfs/dbraw/zinc/55/62/40/528556240.db2.gz IBLCWWLJNOXMLC-JFIYKMOQSA-N 2 1 317.477 2.544 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000295608275 528560380 /nfs/dbraw/zinc/56/03/80/528560380.db2.gz DOJPBPMAOQBOCB-CQSZACIVSA-N 2 1 321.490 2.562 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNc1cc[nH+]cc1C(N)=O ZINC000302012282 528838058 /nfs/dbraw/zinc/83/80/58/528838058.db2.gz CXISYFRDXHVJMJ-UHFFFAOYSA-N 2 1 312.417 2.633 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000294920972 529028622 /nfs/dbraw/zinc/02/86/22/529028622.db2.gz BLQVRXMZPXZMRJ-QZTJIDSGSA-N 2 1 302.462 2.922 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000297590154 529124886 /nfs/dbraw/zinc/12/48/86/529124886.db2.gz JDJXNMMKXUEQSH-SFHVURJKSA-N 2 1 312.461 2.843 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cn[nH]c1 ZINC000297590154 529124889 /nfs/dbraw/zinc/12/48/89/529124889.db2.gz JDJXNMMKXUEQSH-SFHVURJKSA-N 2 1 312.461 2.843 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC000354809737 535137529 /nfs/dbraw/zinc/13/75/29/535137529.db2.gz IVSZEMXJSAKLOV-ROUUACIJSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1F ZINC000261883963 535152496 /nfs/dbraw/zinc/15/24/96/535152496.db2.gz FQPMSTVXKTWKAS-QGTPRVQTSA-N 2 1 320.452 2.850 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000262075686 535458509 /nfs/dbraw/zinc/45/85/09/535458509.db2.gz GQCGEKJTSSWRQT-UHFFFAOYSA-N 2 1 303.450 2.563 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000246499810 535734046 /nfs/dbraw/zinc/73/40/46/535734046.db2.gz SBDYNSORHMPPGT-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000246298447 535768065 /nfs/dbraw/zinc/76/80/65/535768065.db2.gz CXQYCXXTEUXKST-LPHOPBHVSA-N 3 1 316.493 2.618 20 0 DFADMP CCN1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000246298447 535768067 /nfs/dbraw/zinc/76/80/67/535768067.db2.gz CXQYCXXTEUXKST-LPHOPBHVSA-N 2 1 316.493 2.618 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@](C)(C[NH3+])C2)cc1)C(C)C ZINC000261703883 535781241 /nfs/dbraw/zinc/78/12/41/535781241.db2.gz BOSFACARQQQISL-LJQANCHMSA-N 2 1 317.477 2.728 20 0 DFADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)CC1CC[NH+](C)CC1 ZINC000193245743 536361971 /nfs/dbraw/zinc/36/19/71/536361971.db2.gz SVABYAGDDAKSGN-UHFFFAOYSA-N 2 1 302.462 2.828 20 0 DFADMP CC[C@H](C(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1CC)[NH+](CC)CC ZINC000680868951 545555412 /nfs/dbraw/zinc/55/54/12/545555412.db2.gz BPQKYQVDAHXOBO-GVDBMIGSSA-N 2 1 309.498 2.582 20 0 DFADMP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C1CC[NH+](CCO)CC1 ZINC000680969912 545572612 /nfs/dbraw/zinc/57/26/12/545572612.db2.gz QOJMFEORXUUCBA-MSOLQXFVSA-N 2 1 302.462 2.615 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1)C1CCCCC1 ZINC000681127214 545600936 /nfs/dbraw/zinc/60/09/36/545600936.db2.gz ZKWAGYNSTSPQCV-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000682154444 545805577 /nfs/dbraw/zinc/80/55/77/545805577.db2.gz CNAWWQXJFZNMSC-LPHOPBHVSA-N 2 1 319.468 2.641 20 0 DFADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000682913873 545940201 /nfs/dbraw/zinc/94/02/01/545940201.db2.gz OMSBCKMJGBKKND-FPMFFAJLSA-N 2 1 308.388 2.542 20 0 DFADMP C[C@H]1COC(C)(C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683110006 545973160 /nfs/dbraw/zinc/97/31/60/545973160.db2.gz WIIRCUQYDDOPNP-HNNXBMFYSA-N 2 1 306.450 2.626 20 0 DFADMP C[C@H]1CSCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000683109968 545973447 /nfs/dbraw/zinc/97/34/47/545973447.db2.gz VJPBEZNBOVDXOJ-OAHLLOKOSA-N 2 1 308.491 2.812 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000683164602 545983066 /nfs/dbraw/zinc/98/30/66/545983066.db2.gz LMGUFTQFCCKDGF-HNNXBMFYSA-N 2 1 308.491 2.954 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)CC2 ZINC000683471295 546039476 /nfs/dbraw/zinc/03/94/76/546039476.db2.gz OWMURSXRUQRONN-LBPRGKRZSA-N 2 1 313.430 2.687 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)cnc21 ZINC000683471699 546039625 /nfs/dbraw/zinc/03/96/25/546039625.db2.gz ZZVVYEIEEZSMHZ-CQSZACIVSA-N 2 1 324.432 2.561 20 0 DFADMP CN(CC[N@@H+](C)[C@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000683783973 546094686 /nfs/dbraw/zinc/09/46/86/546094686.db2.gz AEEDJRAIVMVJJB-IBGZPJMESA-N 2 1 301.478 2.632 20 0 DFADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000683848384 546108201 /nfs/dbraw/zinc/10/82/01/546108201.db2.gz OWLVIJZNBBLWQB-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccccc3[nH]2)CCCO1 ZINC000683930837 546122657 /nfs/dbraw/zinc/12/26/57/546122657.db2.gz DCUXYDGQWBFZPZ-OAHLLOKOSA-N 2 1 301.434 2.758 20 0 DFADMP CN(C)c1ccc(CN(C)CCC[N@@H+](C)Cc2ccco2)cn1 ZINC000685447799 546351908 /nfs/dbraw/zinc/35/19/08/546351908.db2.gz YHZGGAHVKAUDHT-UHFFFAOYSA-N 2 1 316.449 2.695 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(N(C)C)nc1 ZINC000685462811 546354437 /nfs/dbraw/zinc/35/44/37/546354437.db2.gz JBGLMSVAEMIMDO-UHFFFAOYSA-N 2 1 315.465 2.819 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(N(C)C)nc1 ZINC000685462811 546354440 /nfs/dbraw/zinc/35/44/40/546354440.db2.gz JBGLMSVAEMIMDO-UHFFFAOYSA-N 2 1 315.465 2.819 20 0 DFADMP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685466410 546356009 /nfs/dbraw/zinc/35/60/09/546356009.db2.gz WULZGQAXLRNETD-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685466410 546356014 /nfs/dbraw/zinc/35/60/14/546356014.db2.gz WULZGQAXLRNETD-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP CSc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000685615284 546375256 /nfs/dbraw/zinc/37/52/56/546375256.db2.gz FCGADOAOXVJBJT-UHFFFAOYSA-N 2 1 313.536 2.587 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278383620 214131020 /nfs/dbraw/zinc/13/10/20/214131020.db2.gz CLJBISUOKHRTTR-IAGOWNOFSA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278383620 214131023 /nfs/dbraw/zinc/13/10/23/214131023.db2.gz CLJBISUOKHRTTR-IAGOWNOFSA-N 2 1 320.477 2.717 20 0 DFADMP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000278624035 214283573 /nfs/dbraw/zinc/28/35/73/214283573.db2.gz GLBOTTQYLKHEDJ-DSLXNQLJSA-N 2 1 301.478 2.722 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ncc(C(F)(F)F)s1 ZINC000278685474 214325126 /nfs/dbraw/zinc/32/51/26/214325126.db2.gz PMOUFOPMPZDWOI-UHFFFAOYSA-N 2 1 304.341 2.847 20 0 DFADMP CCn1cncc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309715857 231102455 /nfs/dbraw/zinc/10/24/55/231102455.db2.gz LTJFXSRHGUETFO-SJLPKXTDSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cncc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309715857 231102459 /nfs/dbraw/zinc/10/24/59/231102459.db2.gz LTJFXSRHGUETFO-SJLPKXTDSA-N 2 1 312.461 2.903 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000332650240 529408607 /nfs/dbraw/zinc/40/86/07/529408607.db2.gz NGOFPXYCHLEKDH-SJORKVTESA-N 2 1 316.449 2.544 20 0 DFADMP C[C@@]1(C[NH2+]CC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309835640 231106394 /nfs/dbraw/zinc/10/63/94/231106394.db2.gz UMAWLFUHRDTKIS-IBGZPJMESA-N 2 1 302.462 2.915 20 0 DFADMP Nc1ncccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310291804 231111860 /nfs/dbraw/zinc/11/18/60/231111860.db2.gz RSLDKNLLYNQGLK-IEBWSBKVSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310291804 231111862 /nfs/dbraw/zinc/11/18/62/231111862.db2.gz RSLDKNLLYNQGLK-IEBWSBKVSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310291804 231111864 /nfs/dbraw/zinc/11/18/64/231111864.db2.gz RSLDKNLLYNQGLK-IEBWSBKVSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310291804 231111866 /nfs/dbraw/zinc/11/18/66/231111866.db2.gz RSLDKNLLYNQGLK-IEBWSBKVSA-N 2 1 322.456 2.618 20 0 DFADMP CCn1cc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000310427131 231112752 /nfs/dbraw/zinc/11/27/52/231112752.db2.gz RVZUHSZSRZXRKH-WOJBJXKFSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000310427131 231112756 /nfs/dbraw/zinc/11/27/56/231112756.db2.gz RVZUHSZSRZXRKH-WOJBJXKFSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000310427131 231112759 /nfs/dbraw/zinc/11/27/59/231112759.db2.gz RVZUHSZSRZXRKH-WOJBJXKFSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000310427131 231112763 /nfs/dbraw/zinc/11/27/63/231112763.db2.gz RVZUHSZSRZXRKH-WOJBJXKFSA-N 2 1 324.472 2.857 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000278767795 214386566 /nfs/dbraw/zinc/38/65/66/214386566.db2.gz XSAZFGJUJHMXAB-KBPBESRZSA-N 2 1 311.857 2.887 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000278767795 214386569 /nfs/dbraw/zinc/38/65/69/214386569.db2.gz XSAZFGJUJHMXAB-KBPBESRZSA-N 2 1 311.857 2.887 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000328320491 231229970 /nfs/dbraw/zinc/22/99/70/231229970.db2.gz DQJKPVVOBKKLCL-CABCVRRESA-N 2 1 316.367 2.630 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1)C(C)C ZINC000236994104 398365563 /nfs/dbraw/zinc/36/55/63/398365563.db2.gz VPGNHBUCYCDXBD-YJBOKZPZSA-N 2 1 317.477 2.869 20 0 DFADMP CCc1cc(NC2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)nc(C)[nH+]1 ZINC000302123911 529553988 /nfs/dbraw/zinc/55/39/88/529553988.db2.gz YXXLREKOHWTMEA-IAGOWNOFSA-N 2 1 318.465 2.527 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2cccc(OC)c2)[C@H](C)C1 ZINC000090060408 185280124 /nfs/dbraw/zinc/28/01/24/185280124.db2.gz OWJABDJTTGFTHX-QAPCUYQASA-N 2 1 306.450 2.784 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C1CC2(CCC2)C1 ZINC000459371854 299089601 /nfs/dbraw/zinc/08/96/01/299089601.db2.gz HJBXRBQLWLEWAO-UHFFFAOYSA-N 2 1 300.446 2.941 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092562006 185326093 /nfs/dbraw/zinc/32/60/93/185326093.db2.gz UWUCPOHKQDATJN-QQFBHYJXSA-N 2 1 310.482 2.818 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000250343824 282248860 /nfs/dbraw/zinc/24/88/60/282248860.db2.gz DXDKLNYCPGOAIY-KLHDSHLOSA-N 2 1 307.507 2.861 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCC(=O)OCc2ccccc2)C1 ZINC000181469579 199301719 /nfs/dbraw/zinc/30/17/19/199301719.db2.gz XGMSJZFQYLBBCY-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)OCc2ccccc2)C1 ZINC000181469579 199301721 /nfs/dbraw/zinc/30/17/21/199301721.db2.gz XGMSJZFQYLBBCY-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181469579 199301722 /nfs/dbraw/zinc/30/17/22/199301722.db2.gz XGMSJZFQYLBBCY-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181469579 199301724 /nfs/dbraw/zinc/30/17/24/199301724.db2.gz XGMSJZFQYLBBCY-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCC(C)(C)CC2)CC1 ZINC000584730793 398404864 /nfs/dbraw/zinc/40/48/64/398404864.db2.gz DBUIUXGCCYWZQX-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433644 398425325 /nfs/dbraw/zinc/42/53/25/398425325.db2.gz MXIPKGDRKKNXKN-ZWKOTPCHSA-N 2 1 316.445 2.685 20 0 DFADMP CC(C)[C@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000261423448 398428721 /nfs/dbraw/zinc/42/87/21/398428721.db2.gz ILQYLGBGSLNMRA-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000261423448 398428722 /nfs/dbraw/zinc/42/87/22/398428722.db2.gz ILQYLGBGSLNMRA-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261423448 398428724 /nfs/dbraw/zinc/42/87/24/398428724.db2.gz ILQYLGBGSLNMRA-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000261423448 398428725 /nfs/dbraw/zinc/42/87/25/398428725.db2.gz ILQYLGBGSLNMRA-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000592404426 398422953 /nfs/dbraw/zinc/42/29/53/398422953.db2.gz SNMPQKDRAMCAGY-QKPAOTATSA-N 2 1 310.482 2.817 20 0 DFADMP CC1([NH3+])CC[NH+](CCOc2ccc(OC(F)(F)F)cc2)CC1 ZINC000592484460 398432773 /nfs/dbraw/zinc/43/27/73/398432773.db2.gz CIIXLNMBWOGSRA-UHFFFAOYSA-N 2 1 318.339 2.777 20 0 DFADMP COC(=O)c1cc2cc(C[NH+]3CCC(C)([NH3+])CC3)ccc2o1 ZINC000592485035 398432690 /nfs/dbraw/zinc/43/26/90/398432690.db2.gz OOFXIPGVRSPUKB-UHFFFAOYSA-N 2 1 302.374 2.533 20 0 DFADMP COC(=O)[C@@H]1c2ccccc2CC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493330 398433658 /nfs/dbraw/zinc/43/36/58/398433658.db2.gz LEJNSEHTAGHOBQ-SFHVURJKSA-N 2 1 316.445 2.539 20 0 DFADMP COC(=O)[C@@H]1c2ccccc2CC[N@@H+]1CCCC1CC[NH2+]CC1 ZINC000592493330 398433659 /nfs/dbraw/zinc/43/36/59/398433659.db2.gz LEJNSEHTAGHOBQ-SFHVURJKSA-N 2 1 316.445 2.539 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272769150 210173852 /nfs/dbraw/zinc/17/38/52/210173852.db2.gz RYYJICPJOUHSJM-DOTOQJQBSA-N 2 1 318.461 2.828 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272769150 210173855 /nfs/dbraw/zinc/17/38/55/210173855.db2.gz RYYJICPJOUHSJM-DOTOQJQBSA-N 2 1 318.461 2.828 20 0 DFADMP CC[N@@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000459454262 299110400 /nfs/dbraw/zinc/11/04/00/299110400.db2.gz FBMYHLWLSLUXCM-IYBDPMFKSA-N 2 1 307.457 2.672 20 0 DFADMP CC[NH+]1C[C@@H](C)N(CC[N@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000459454262 299110403 /nfs/dbraw/zinc/11/04/03/299110403.db2.gz FBMYHLWLSLUXCM-IYBDPMFKSA-N 2 1 307.457 2.672 20 0 DFADMP CC[NH+]1C[C@@H](C)N(CC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000459454262 299110406 /nfs/dbraw/zinc/11/04/06/299110406.db2.gz FBMYHLWLSLUXCM-IYBDPMFKSA-N 2 1 307.457 2.672 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC000292859788 530006889 /nfs/dbraw/zinc/00/68/89/530006889.db2.gz GSISHDXBQCXHDH-LJQANCHMSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC2CCOCC2)C1 ZINC000292859788 530006890 /nfs/dbraw/zinc/00/68/90/530006890.db2.gz GSISHDXBQCXHDH-LJQANCHMSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCC2CCOCC2)C1 ZINC000292859788 530006892 /nfs/dbraw/zinc/00/68/92/530006892.db2.gz GSISHDXBQCXHDH-LJQANCHMSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCC2CCOCC2)C1 ZINC000292859788 530006894 /nfs/dbraw/zinc/00/68/94/530006894.db2.gz GSISHDXBQCXHDH-LJQANCHMSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000299510260 530062646 /nfs/dbraw/zinc/06/26/46/530062646.db2.gz MKQLHQAWAXZHPI-SFHVURJKSA-N 2 1 315.461 2.748 20 0 DFADMP C[C@H](CC1CCOCC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594470 398458712 /nfs/dbraw/zinc/45/87/12/398458712.db2.gz RJDWYAWMNCQWSJ-QGZVFWFLSA-N 2 1 324.509 2.816 20 0 DFADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCOC2)cc1 ZINC000459471330 299114476 /nfs/dbraw/zinc/11/44/76/299114476.db2.gz UWYFFRGFHPQZSE-VQIMIIECSA-N 2 1 300.446 2.981 20 0 DFADMP CCn1nncc1C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000459481407 299117759 /nfs/dbraw/zinc/11/77/59/299117759.db2.gz WOIYYDFCJDCJJM-UHFFFAOYSA-N 2 1 321.513 2.878 20 0 DFADMP OC[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC000459517500 299123803 /nfs/dbraw/zinc/12/38/03/299123803.db2.gz WYBBWHLKUYVREW-MOPGFXCFSA-N 2 1 318.436 2.508 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272690133 210094955 /nfs/dbraw/zinc/09/49/55/210094955.db2.gz VOWCSDBGUZZXBK-ZHALLVOQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272690133 210094959 /nfs/dbraw/zinc/09/49/59/210094959.db2.gz VOWCSDBGUZZXBK-ZHALLVOQSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272690133 210094962 /nfs/dbraw/zinc/09/49/62/210094962.db2.gz VOWCSDBGUZZXBK-ZHALLVOQSA-N 3 1 303.494 2.827 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH+]3CCCC3)[C@@H]2C)c1C ZINC000286820181 219181077 /nfs/dbraw/zinc/18/10/77/219181077.db2.gz KIUKQVFBCNZXBR-DOTOQJQBSA-N 2 1 303.450 2.766 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000068722609 398522612 /nfs/dbraw/zinc/52/26/12/398522612.db2.gz QHPIUUFEXKCJLM-LBPRGKRZSA-N 2 1 314.376 2.728 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000068722609 398522615 /nfs/dbraw/zinc/52/26/15/398522615.db2.gz QHPIUUFEXKCJLM-LBPRGKRZSA-N 2 1 314.376 2.728 20 0 DFADMP Cc1ccc([C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CC2)cc1 ZINC000091306427 398525379 /nfs/dbraw/zinc/52/53/79/398525379.db2.gz GLPSQHFDMDMCOD-LJQANCHMSA-N 2 1 302.462 2.883 20 0 DFADMP CC(C)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccnc1 ZINC000091333154 398526311 /nfs/dbraw/zinc/52/63/11/398526311.db2.gz UTBBAEVQTATEEK-IBGZPJMESA-N 2 1 318.509 2.642 20 0 DFADMP CC(C)[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000091333572 398526381 /nfs/dbraw/zinc/52/63/81/398526381.db2.gz SPYLXBOILFWUTC-ROUUACIJSA-N 2 1 317.477 2.561 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444735913 297248105 /nfs/dbraw/zinc/24/81/05/297248105.db2.gz PNBQSVFBJQESEI-ZIAGYGMSSA-N 2 1 319.371 2.607 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([C@@H](O)C(F)(F)F)C1 ZINC000444735913 297248103 /nfs/dbraw/zinc/24/81/03/297248103.db2.gz PNBQSVFBJQESEI-ZIAGYGMSSA-N 2 1 319.371 2.607 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414130900 295770790 /nfs/dbraw/zinc/77/07/90/295770790.db2.gz XBAJVNIYUQKLIB-BHYGNILZSA-N 2 1 310.869 2.878 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1cccc(OCC[NH+](C)C)c1 ZINC000414196031 295776629 /nfs/dbraw/zinc/77/66/29/295776629.db2.gz VMUZCGAMXCXOAE-CABCVRRESA-N 2 1 316.449 2.772 20 0 DFADMP CS[C@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597029739 398551180 /nfs/dbraw/zinc/55/11/80/398551180.db2.gz NFHAAWRJDOVBCA-INIZCTEOSA-N 2 1 302.447 2.985 20 0 DFADMP CS[C@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597029739 398551182 /nfs/dbraw/zinc/55/11/82/398551182.db2.gz NFHAAWRJDOVBCA-INIZCTEOSA-N 2 1 302.447 2.985 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc(C)n(C)n2)cc1 ZINC000414245858 295780701 /nfs/dbraw/zinc/78/07/01/295780701.db2.gz AYZYXODHQUMMON-UHFFFAOYSA-N 2 1 300.450 2.860 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1F ZINC000597041604 398553873 /nfs/dbraw/zinc/55/38/73/398553873.db2.gz BZDXCSRNGJGUCM-LBPRGKRZSA-N 2 1 319.380 2.543 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)CC1 ZINC000321559096 398553234 /nfs/dbraw/zinc/55/32/34/398553234.db2.gz FYMKLRHGWROIDU-GOSISDBHSA-N 2 1 317.477 2.655 20 0 DFADMP CCC[N@H+]1CC[C@@H](CNCc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597048177 398554839 /nfs/dbraw/zinc/55/48/39/398554839.db2.gz BLSWKRHEWJZAIL-AWEZNQCLSA-N 2 1 324.852 2.948 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597048177 398554842 /nfs/dbraw/zinc/55/48/42/398554842.db2.gz BLSWKRHEWJZAIL-AWEZNQCLSA-N 2 1 324.852 2.948 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597048177 398554843 /nfs/dbraw/zinc/55/48/43/398554843.db2.gz BLSWKRHEWJZAIL-AWEZNQCLSA-N 2 1 324.852 2.948 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000597059132 398557922 /nfs/dbraw/zinc/55/79/22/398557922.db2.gz FNXOFQYSPANKEV-YPMHNXCESA-N 2 1 310.825 2.699 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000597059132 398557925 /nfs/dbraw/zinc/55/79/25/398557925.db2.gz FNXOFQYSPANKEV-YPMHNXCESA-N 2 1 310.825 2.699 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000597152674 398576578 /nfs/dbraw/zinc/57/65/78/398576578.db2.gz CBDBHYIANAUPDO-KGLIPLIRSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2cnc3n2CCC3)C1 ZINC000597152674 398576583 /nfs/dbraw/zinc/57/65/83/398576583.db2.gz CBDBHYIANAUPDO-KGLIPLIRSA-N 2 1 319.449 2.629 20 0 DFADMP Cc1ncc(CN2C[C@H](C)C[C@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597154909 398577932 /nfs/dbraw/zinc/57/79/32/398577932.db2.gz SMCBGQDSRGWLAJ-OCCSQVGLSA-N 2 1 307.438 2.528 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(Br)cn1 ZINC000279926124 215243297 /nfs/dbraw/zinc/24/32/97/215243297.db2.gz ALEROYQRBUCZPQ-JTQLQIEISA-N 2 1 309.211 2.700 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)c1nncn1C ZINC000287091006 219305877 /nfs/dbraw/zinc/30/58/77/219305877.db2.gz CYFUGXVASLLVGZ-AWEZNQCLSA-N 2 1 301.438 2.508 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139834031 186024787 /nfs/dbraw/zinc/02/47/87/186024787.db2.gz RBNYWZUHCKAIMQ-MJGOQNOKSA-N 3 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@@H]21 ZINC000139834031 186024789 /nfs/dbraw/zinc/02/47/89/186024789.db2.gz RBNYWZUHCKAIMQ-MJGOQNOKSA-N 3 1 310.445 2.788 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000152447036 186074184 /nfs/dbraw/zinc/07/41/84/186074184.db2.gz NEHOZULLCXBIBN-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000152447036 186074186 /nfs/dbraw/zinc/07/41/86/186074186.db2.gz NEHOZULLCXBIBN-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000152447036 186074188 /nfs/dbraw/zinc/07/41/88/186074188.db2.gz NEHOZULLCXBIBN-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)cnc21 ZINC000152493547 186078780 /nfs/dbraw/zinc/07/87/80/186078780.db2.gz WOXQHKQQAXYUQS-OAHLLOKOSA-N 2 1 315.465 2.786 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)cnc21 ZINC000152493547 186078782 /nfs/dbraw/zinc/07/87/82/186078782.db2.gz WOXQHKQQAXYUQS-OAHLLOKOSA-N 2 1 315.465 2.786 20 0 DFADMP CC(C)n1ncc2cc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)cnc21 ZINC000152493547 186078784 /nfs/dbraw/zinc/07/87/84/186078784.db2.gz WOXQHKQQAXYUQS-OAHLLOKOSA-N 2 1 315.465 2.786 20 0 DFADMP CC(C)n1ncc2cc(C[NH+](C)C[C@@H]3CCC[N@@H+](C)C3)cnc21 ZINC000152493547 186078785 /nfs/dbraw/zinc/07/87/85/186078785.db2.gz WOXQHKQQAXYUQS-OAHLLOKOSA-N 2 1 315.465 2.786 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000152491085 186078812 /nfs/dbraw/zinc/07/88/12/186078812.db2.gz KTYQIYGRPGBRJE-QAPCUYQASA-N 2 1 306.450 2.784 20 0 DFADMP CC[N@@H+](CCNC1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000155839625 186116906 /nfs/dbraw/zinc/11/69/06/186116906.db2.gz YNUFUXSGZCNURS-UHFFFAOYSA-N 2 1 315.505 2.767 20 0 DFADMP C/C(=C\c1ccccc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000179710841 186208717 /nfs/dbraw/zinc/20/87/17/186208717.db2.gz AHSVRVQJWCSUGY-HTXNQAPBSA-N 2 1 313.489 2.803 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000179705343 186207934 /nfs/dbraw/zinc/20/79/34/186207934.db2.gz BXIMIGDJCBFKEX-UHFFFAOYSA-N 2 1 318.421 2.883 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093770446 398644309 /nfs/dbraw/zinc/64/43/09/398644309.db2.gz RDKVWUHSPMHOIQ-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093770446 398644313 /nfs/dbraw/zinc/64/43/13/398644313.db2.gz RDKVWUHSPMHOIQ-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093770446 398644316 /nfs/dbraw/zinc/64/43/16/398644316.db2.gz RDKVWUHSPMHOIQ-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(OC)c(OC)cc2C)C1 ZINC000093770446 398644320 /nfs/dbraw/zinc/64/43/20/398644320.db2.gz RDKVWUHSPMHOIQ-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1C ZINC000194267964 186274802 /nfs/dbraw/zinc/27/48/02/186274802.db2.gz UGFZDEHGIABEMH-CALCHBBNSA-N 2 1 320.477 2.983 20 0 DFADMP COc1ccc([C@H](C)N[C@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000266835004 186353625 /nfs/dbraw/zinc/35/36/25/186353625.db2.gz FKXCZQIKDJWYEW-CWRNSKLLSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CCN3CCCC[C@H]23)cc1OC ZINC000266835004 186353627 /nfs/dbraw/zinc/35/36/27/186353627.db2.gz FKXCZQIKDJWYEW-CWRNSKLLSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000268738063 186372845 /nfs/dbraw/zinc/37/28/45/186372845.db2.gz OQIOPPIWKHKWCX-PKOBYXMFSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000268738063 186372847 /nfs/dbraw/zinc/37/28/47/186372847.db2.gz OQIOPPIWKHKWCX-PKOBYXMFSA-N 2 1 312.461 2.773 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746026 186376177 /nfs/dbraw/zinc/37/61/77/186376177.db2.gz ASPFXPKJBZQZGK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746026 186376178 /nfs/dbraw/zinc/37/61/78/186376178.db2.gz ASPFXPKJBZQZGK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746026 186376180 /nfs/dbraw/zinc/37/61/80/186376180.db2.gz ASPFXPKJBZQZGK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268754007 186379803 /nfs/dbraw/zinc/37/98/03/186379803.db2.gz YVZKTEUGQFDVQA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268754007 186379805 /nfs/dbraw/zinc/37/98/05/186379805.db2.gz YVZKTEUGQFDVQA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268754007 186379807 /nfs/dbraw/zinc/37/98/07/186379807.db2.gz YVZKTEUGQFDVQA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CCC([N@@H+](C)CCO)CC2)c1C ZINC000273338320 186432084 /nfs/dbraw/zinc/43/20/84/186432084.db2.gz NFYMSMPNEMNEQY-UHFFFAOYSA-N 2 1 313.445 2.745 20 0 DFADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000459732769 299175513 /nfs/dbraw/zinc/17/55/13/299175513.db2.gz MWMWSOYVBUEJOS-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000414814920 295821381 /nfs/dbraw/zinc/82/13/81/295821381.db2.gz ZOAGGPXXPJWECI-YGRLFVJLSA-N 2 1 313.239 2.762 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459735001 299176626 /nfs/dbraw/zinc/17/66/26/299176626.db2.gz PGZZMZJMUNHSMO-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP C[C@H]([NH3+])CC[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414825426 295822453 /nfs/dbraw/zinc/82/24/53/295822453.db2.gz SRRZNYVTKHYGJY-JTQLQIEISA-N 2 1 323.238 2.666 20 0 DFADMP COc1sc(C[NH2+]C[C@H]2CCC[NH2+]C2)cc1Br ZINC000414823494 295822384 /nfs/dbraw/zinc/82/23/84/295822384.db2.gz DMBOQBRUZNKQBM-VIFPVBQESA-N 2 1 319.268 2.608 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)cn2)C1 ZINC000459737430 299177558 /nfs/dbraw/zinc/17/75/58/299177558.db2.gz RFWCNUSTIUKODV-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414833982 295823834 /nfs/dbraw/zinc/82/38/34/295823834.db2.gz SBVHMURERMESEK-FUNVUKJBSA-N 2 1 300.431 2.578 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000414849701 295825870 /nfs/dbraw/zinc/82/58/70/295825870.db2.gz YCVPPGPIOZDWIG-OAHLLOKOSA-N 2 1 314.477 2.802 20 0 DFADMP CCOc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1OC(F)F ZINC000414900134 295832315 /nfs/dbraw/zinc/83/23/15/295832315.db2.gz DEEFYENXMNLJFA-CYBMUJFWSA-N 2 1 314.376 2.918 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c(-c2ccccc2Cl)n1 ZINC000414902475 295832410 /nfs/dbraw/zinc/83/24/10/295832410.db2.gz YJAYXELYVWULJR-HNNXBMFYSA-N 2 1 304.825 2.567 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414902593 295832495 /nfs/dbraw/zinc/83/24/95/295832495.db2.gz KWBFJANXONJZBD-LJQANCHMSA-N 2 1 312.461 2.968 20 0 DFADMP CC[N@H+](CCC[NH2+]Cc1c[nH]c(C(=O)OC)c1)C1CCCCC1 ZINC000593661325 398666948 /nfs/dbraw/zinc/66/69/48/398666948.db2.gz XXUKAPAWBWZCKD-UHFFFAOYSA-N 2 1 321.465 2.936 20 0 DFADMP CC[N@@H+](CCC[NH2+]Cc1c[nH]c(C(=O)OC)c1)C1CCCCC1 ZINC000593661325 398666951 /nfs/dbraw/zinc/66/69/51/398666951.db2.gz XXUKAPAWBWZCKD-UHFFFAOYSA-N 2 1 321.465 2.936 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@H]1CCC[NH2+]CC1)O[C@@H](C)C2 ZINC000414920194 295835042 /nfs/dbraw/zinc/83/50/42/295835042.db2.gz XCIZHRZHMKRJQS-BBRMVZONSA-N 2 1 304.434 2.640 20 0 DFADMP CCOc1cccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1OC(F)F ZINC000414920168 295835222 /nfs/dbraw/zinc/83/52/22/295835222.db2.gz WWWKABXEUVVJDZ-ZDUSSCGKSA-N 2 1 314.376 2.918 20 0 DFADMP COc1sc(C[NH2+]C2(C)CC[NH2+]CC2)cc1Br ZINC000414931937 295836907 /nfs/dbraw/zinc/83/69/07/295836907.db2.gz CCXBJCGQMIPJEU-UHFFFAOYSA-N 2 1 319.268 2.751 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC000414948591 295839316 /nfs/dbraw/zinc/83/93/16/295839316.db2.gz MJHJXWCXSZZLOD-CMPLNLGQSA-N 2 1 320.330 2.997 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414960851 295841283 /nfs/dbraw/zinc/84/12/83/295841283.db2.gz YLSHFZKDSDMRIM-GXFFZTMASA-N 2 1 313.239 2.688 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@H]2CCCC[C@H]2C)CC1 ZINC000590786491 398673899 /nfs/dbraw/zinc/67/38/99/398673899.db2.gz FAYDWMLEQCMJJO-AEFFLSMTSA-N 2 1 323.525 2.734 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc3c(c2)CCO3)CC1 ZINC000072630389 191205205 /nfs/dbraw/zinc/20/52/05/191205205.db2.gz DKFJRNRDFPGUNO-UHFFFAOYSA-N 2 1 302.462 2.970 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414977517 295843451 /nfs/dbraw/zinc/84/34/51/295843451.db2.gz QDVQOIYMUCVDDU-CEXWTWQISA-N 2 1 301.478 2.596 20 0 DFADMP Brc1ccc2[nH+]ccc(N3CCC[NH2+]CC3)c2c1 ZINC000102219698 398675837 /nfs/dbraw/zinc/67/58/37/398675837.db2.gz KHVQVEAACLBBQX-UHFFFAOYSA-N 2 1 306.207 2.797 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1O ZINC000277165694 213339810 /nfs/dbraw/zinc/33/98/10/213339810.db2.gz GGPXCATVMPNRLD-ZBFHGGJFSA-N 2 1 318.461 2.796 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000459780981 299191013 /nfs/dbraw/zinc/19/10/13/299191013.db2.gz MHAJLRLZWPTWAG-HJOIGYKYSA-N 2 1 310.482 2.820 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C)CC2)cc1OCC(C)C ZINC000072726295 191222906 /nfs/dbraw/zinc/22/29/06/191222906.db2.gz GZNIBBMRVWJBHP-UHFFFAOYSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858037 191238982 /nfs/dbraw/zinc/23/89/82/191238982.db2.gz UGOBZLQIMKSBNU-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+](C)CC)C1 ZINC000072858037 191238984 /nfs/dbraw/zinc/23/89/84/191238984.db2.gz UGOBZLQIMKSBNU-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1 ZINC000072858037 191238986 /nfs/dbraw/zinc/23/89/86/191238986.db2.gz UGOBZLQIMKSBNU-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072858037 191238987 /nfs/dbraw/zinc/23/89/87/191238987.db2.gz UGOBZLQIMKSBNU-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415013209 295847431 /nfs/dbraw/zinc/84/74/31/295847431.db2.gz XZNUZEJLBOAHTL-OAHLLOKOSA-N 2 1 320.387 2.515 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000173362686 198206077 /nfs/dbraw/zinc/20/60/77/198206077.db2.gz RWXLGCJWELRVOJ-QAPCUYQASA-N 2 1 306.450 2.532 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)Cc2ccccc2)CC1 ZINC000182053177 199380026 /nfs/dbraw/zinc/38/00/26/199380026.db2.gz RSGSDLDTKZOUOV-IBGZPJMESA-N 2 1 317.521 2.873 20 0 DFADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1Br ZINC000401725389 398688180 /nfs/dbraw/zinc/68/81/80/398688180.db2.gz CZPOURGFYXMJEN-UHFFFAOYSA-N 2 1 308.223 2.823 20 0 DFADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)c(Br)c1 ZINC000401804893 398688571 /nfs/dbraw/zinc/68/85/71/398688571.db2.gz PQMLNLIPLWMWAK-UHFFFAOYSA-N 2 1 324.222 2.524 20 0 DFADMP C[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415084104 295855917 /nfs/dbraw/zinc/85/59/17/295855917.db2.gz QZTDJWSNIQAPCZ-AEFFLSMTSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000415080765 295855544 /nfs/dbraw/zinc/85/55/44/295855544.db2.gz JZPBYQDOVJXBHG-NFAWXSAZSA-N 2 1 321.852 2.566 20 0 DFADMP CCN(Cc1cnn(C)c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485883 198340433 /nfs/dbraw/zinc/34/04/33/198340433.db2.gz OQRNFLBHOHUUNX-SFHVURJKSA-N 2 1 312.461 2.764 20 0 DFADMP Cn1cncc1CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)CC1 ZINC000590958240 398708165 /nfs/dbraw/zinc/70/81/65/398708165.db2.gz CTQIFZOYKVWCKQ-HNNXBMFYSA-N 2 1 321.465 2.797 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000174778026 198383755 /nfs/dbraw/zinc/38/37/55/198383755.db2.gz UVRSLJLDTBBXJL-DYVFJYSZSA-N 2 1 322.424 2.854 20 0 DFADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[C@H](C)[NH3+] ZINC000277063017 213271810 /nfs/dbraw/zinc/27/18/10/213271810.db2.gz NNCQHWGDLKABTA-XHSDSOJGSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000130382711 283047820 /nfs/dbraw/zinc/04/78/20/283047820.db2.gz AJELEGTZSPGQFX-RDJZCZTQSA-N 2 1 315.461 2.857 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCCC1CCCCC1 ZINC000130606514 283054133 /nfs/dbraw/zinc/05/41/33/283054133.db2.gz OOOVMHSEAACNGR-UHFFFAOYSA-N 2 1 320.481 2.600 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCCC1CCCCC1 ZINC000130606514 283054136 /nfs/dbraw/zinc/05/41/36/283054136.db2.gz OOOVMHSEAACNGR-UHFFFAOYSA-N 2 1 320.481 2.600 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c(Cl)cnn2C)C1 ZINC000130514825 283051314 /nfs/dbraw/zinc/05/13/14/283051314.db2.gz ONUOXTCHZVSTJO-OKILXGFUSA-N 2 1 312.889 2.921 20 0 DFADMP CC(C)c1cc(N2CC[NH+](C3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000462092156 299222785 /nfs/dbraw/zinc/22/27/85/299222785.db2.gz IPPSJKYSNJLWCI-UHFFFAOYSA-N 2 1 317.481 2.731 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000131277943 283078299 /nfs/dbraw/zinc/07/82/99/283078299.db2.gz UUEKYDDNYFMCOM-BQFCYCMXSA-N 2 1 311.514 2.734 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C1CC1 ZINC000131406796 283083691 /nfs/dbraw/zinc/08/36/91/283083691.db2.gz PHZCRRAWQKFWSC-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CC[NH+](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CC1 ZINC000131406796 283083695 /nfs/dbraw/zinc/08/36/95/283083695.db2.gz PHZCRRAWQKFWSC-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CC[NH+](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CC1 ZINC000131406796 283083700 /nfs/dbraw/zinc/08/37/00/283083700.db2.gz PHZCRRAWQKFWSC-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CC(C)[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114729012 398746846 /nfs/dbraw/zinc/74/68/46/398746846.db2.gz VXCSSCXULVYGCK-KRWDZBQOSA-N 2 1 323.525 2.734 20 0 DFADMP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000378523390 283115753 /nfs/dbraw/zinc/11/57/53/283115753.db2.gz ZWBWRNJNVSHWLU-YSTOQKLRSA-N 2 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000378523390 283115756 /nfs/dbraw/zinc/11/57/56/283115756.db2.gz ZWBWRNJNVSHWLU-YSTOQKLRSA-N 2 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]1c1ccccc1 ZINC000378523390 283115759 /nfs/dbraw/zinc/11/57/59/283115759.db2.gz ZWBWRNJNVSHWLU-YSTOQKLRSA-N 2 1 313.489 2.896 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000236829622 202029489 /nfs/dbraw/zinc/02/94/89/202029489.db2.gz SGFNTNSCUNOOAP-OAHLLOKOSA-N 2 1 312.417 2.603 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)c2csc(C[NH3+])n2)c1 ZINC000236930249 202077190 /nfs/dbraw/zinc/07/71/90/202077190.db2.gz CAXSPRPEIRNGHR-UHFFFAOYSA-N 2 1 318.446 2.696 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236969631 202100555 /nfs/dbraw/zinc/10/05/55/202100555.db2.gz LNUAXVSODHIPPU-MAUKXSAKSA-N 2 1 317.477 2.805 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000121217355 398786928 /nfs/dbraw/zinc/78/69/28/398786928.db2.gz GTADJVKUVYJHGS-ZBFHGGJFSA-N 2 1 306.450 2.566 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)CC1 ZINC000121606456 398788343 /nfs/dbraw/zinc/78/83/43/398788343.db2.gz CRCZOVJVLMQZNN-IBGZPJMESA-N 2 1 319.493 2.762 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@](C)([NH3+])c1ccccc1)C1CCCCC1 ZINC000237073385 202142869 /nfs/dbraw/zinc/14/28/69/202142869.db2.gz PZSIAAMZDHPCOD-LJQANCHMSA-N 2 1 317.477 2.631 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247278063 283208456 /nfs/dbraw/zinc/20/84/56/283208456.db2.gz FUFNWKRXOFPPLP-DLBZAZTESA-N 2 1 311.514 2.830 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(OC)c1 ZINC000237167065 202173579 /nfs/dbraw/zinc/17/35/79/202173579.db2.gz GMIHMDMBDXDKHI-CYBMUJFWSA-N 2 1 303.406 2.635 20 0 DFADMP C[NH2+]CCCC(=O)Nc1cccc2c1C[N@@H+](CCC(C)C)C2 ZINC000237249917 202204375 /nfs/dbraw/zinc/20/43/75/202204375.db2.gz IZABWTVWHNSVAU-UHFFFAOYSA-N 2 1 303.450 2.986 20 0 DFADMP CC(C)c1ccc(CC[NH+]2CCC([N@H+](C)CCO)CC2)cc1 ZINC000137595246 283253526 /nfs/dbraw/zinc/25/35/26/283253526.db2.gz MAMISNQONDABMV-UHFFFAOYSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)c1ccc(CC[NH+]2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000137595246 283253528 /nfs/dbraw/zinc/25/35/28/283253528.db2.gz MAMISNQONDABMV-UHFFFAOYSA-N 2 1 304.478 2.741 20 0 DFADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000138252022 283256713 /nfs/dbraw/zinc/25/67/13/283256713.db2.gz FWKHLPAFPWPBNS-HOTGVXAUSA-N 2 1 318.490 2.835 20 0 DFADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000138252022 283256719 /nfs/dbraw/zinc/25/67/19/283256719.db2.gz FWKHLPAFPWPBNS-HOTGVXAUSA-N 2 1 318.490 2.835 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000591893764 398804349 /nfs/dbraw/zinc/80/43/49/398804349.db2.gz VNHNRTAPJWSDES-PNBKFKSVSA-N 2 1 318.465 2.616 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(Cl)nc1 ZINC000179128963 198987357 /nfs/dbraw/zinc/98/73/57/198987357.db2.gz SVNHDBMQSAEQTC-KGLIPLIRSA-N 2 1 323.868 2.887 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CCC2 ZINC000594515484 398814537 /nfs/dbraw/zinc/81/45/37/398814537.db2.gz VQUPVKOUMOPIJD-SFHVURJKSA-N 2 1 314.429 2.702 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000179512796 199048542 /nfs/dbraw/zinc/04/85/42/199048542.db2.gz IHCPVTUGHGWYPW-PMPSAXMXSA-N 2 1 306.450 2.782 20 0 DFADMP CCOCc1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000179631233 199067416 /nfs/dbraw/zinc/06/74/16/199067416.db2.gz IWLVDPRBIBFYNJ-INIZCTEOSA-N 2 1 306.450 2.615 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)ccc1OC ZINC000179631233 199067417 /nfs/dbraw/zinc/06/74/17/199067417.db2.gz IWLVDPRBIBFYNJ-INIZCTEOSA-N 2 1 306.450 2.615 20 0 DFADMP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccco2)N2CCCC2)[C@H](C)C1 ZINC000152268207 283315776 /nfs/dbraw/zinc/31/57/76/283315776.db2.gz VVWAOTHNHAUGER-IKGGRYGDSA-N 2 1 305.466 2.736 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccco2)N2CCCC2)[C@H](C)C1 ZINC000152268207 283315780 /nfs/dbraw/zinc/31/57/80/283315780.db2.gz VVWAOTHNHAUGER-IKGGRYGDSA-N 2 1 305.466 2.736 20 0 DFADMP CCC[C@@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076145535 398843930 /nfs/dbraw/zinc/84/39/30/398843930.db2.gz FWRVVKOEJYUOEH-IBGZPJMESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000237350801 202241037 /nfs/dbraw/zinc/24/10/37/202241037.db2.gz MMDKYUFWTVVALV-OAHLLOKOSA-N 2 1 315.461 2.999 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550924 199174867 /nfs/dbraw/zinc/17/48/67/199174867.db2.gz XEMVCVMMNQYXOC-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550924 199174869 /nfs/dbraw/zinc/17/48/69/199174869.db2.gz XEMVCVMMNQYXOC-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550924 199174871 /nfs/dbraw/zinc/17/48/71/199174871.db2.gz XEMVCVMMNQYXOC-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550924 199174873 /nfs/dbraw/zinc/17/48/73/199174873.db2.gz XEMVCVMMNQYXOC-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC000594922328 398872419 /nfs/dbraw/zinc/87/24/19/398872419.db2.gz FDUSPIYRDRIXFS-FPCVCCKLSA-N 2 1 310.482 2.674 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)[C@H]2C[C@@H]2C(=O)OC)C1 ZINC000594922328 398872423 /nfs/dbraw/zinc/87/24/23/398872423.db2.gz FDUSPIYRDRIXFS-FPCVCCKLSA-N 2 1 310.482 2.674 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)N(C)C ZINC000153297998 283361384 /nfs/dbraw/zinc/36/13/84/283361384.db2.gz ILFJPMSITMIPFP-ATLSCFEFSA-N 2 1 319.493 2.616 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)N(C)C ZINC000153297998 283361386 /nfs/dbraw/zinc/36/13/86/283361386.db2.gz ILFJPMSITMIPFP-ATLSCFEFSA-N 2 1 319.493 2.616 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274861348 299289506 /nfs/dbraw/zinc/28/95/06/299289506.db2.gz CYMAKXALPJSOIU-ZFWWWQNUSA-N 2 1 311.857 2.623 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000469985516 299290890 /nfs/dbraw/zinc/29/08/90/299290890.db2.gz YKSDNTVCEYYQNB-IXDOHACOSA-N 2 1 323.525 2.876 20 0 DFADMP CSCC1(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000595070700 398901712 /nfs/dbraw/zinc/90/17/12/398901712.db2.gz METFIZFHTXMDHE-MRXNPFEDSA-N 2 1 312.523 2.753 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)C[NH+](C)C ZINC000598979597 398902323 /nfs/dbraw/zinc/90/23/23/398902323.db2.gz GIFONZAKUVZXGW-LBPRGKRZSA-N 2 1 312.479 2.991 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1 ZINC000077401833 398902826 /nfs/dbraw/zinc/90/28/26/398902826.db2.gz FPYYCJWSTXKNOU-UHFFFAOYSA-N 2 1 313.380 2.696 20 0 DFADMP CCCc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000186937671 200034252 /nfs/dbraw/zinc/03/42/52/200034252.db2.gz CZQLLAADSFGEHT-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CC(C)(C)OC(=O)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC1 ZINC000595098400 398904801 /nfs/dbraw/zinc/90/48/01/398904801.db2.gz COWYOVGCFRLDPJ-UHFFFAOYSA-N 2 1 308.466 2.715 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000599019864 398908008 /nfs/dbraw/zinc/90/80/08/398908008.db2.gz NQBFSUANXGYNPP-OFLPRAFFSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000187821322 283469788 /nfs/dbraw/zinc/46/97/88/283469788.db2.gz WFUQUSJKEVDHIY-AZUAARDMSA-N 2 1 316.489 2.933 20 0 DFADMP C[C@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237531149 202273213 /nfs/dbraw/zinc/27/32/13/202273213.db2.gz DCPHCEGQEQAIGG-BRWVUGGUSA-N 2 1 323.525 2.639 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000237591382 202294626 /nfs/dbraw/zinc/29/46/26/202294626.db2.gz CDRGRKDFEZUIRS-BEFAXECRSA-N 2 1 323.440 2.538 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000417399575 296016859 /nfs/dbraw/zinc/01/68/59/296016859.db2.gz ILNOOIMMGNRGGH-WAPOTWQKSA-N 2 1 314.473 2.933 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)C2CCCCC2)CC1 ZINC000447387887 297302581 /nfs/dbraw/zinc/30/25/81/297302581.db2.gz VHGZCRYTHPFTTH-INIZCTEOSA-N 2 1 323.525 2.876 20 0 DFADMP CC(C)C[C@@H](C(=O)OC(C)(C)C)N(C)CCCn1ccnc1 ZINC000599337928 398956347 /nfs/dbraw/zinc/95/63/47/398956347.db2.gz MHFLDXNQSHZREX-HNNXBMFYSA-N 2 1 309.454 2.961 20 0 DFADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N(C)CCCn1ccnc1 ZINC000599337929 398956310 /nfs/dbraw/zinc/95/63/10/398956310.db2.gz MHFLDXNQSHZREX-OAHLLOKOSA-N 2 1 309.454 2.961 20 0 DFADMP Cn1ccnc1C[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472344774 299323984 /nfs/dbraw/zinc/32/39/84/299323984.db2.gz LSKKLEOWECOOFH-ROUUACIJSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1ccnc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472344774 299323988 /nfs/dbraw/zinc/32/39/88/299323988.db2.gz LSKKLEOWECOOFH-ROUUACIJSA-N 2 1 312.461 2.592 20 0 DFADMP c1cc(CCC[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc2c1OCC2 ZINC000193269875 201016728 /nfs/dbraw/zinc/01/67/28/201016728.db2.gz PXWRADIYWVZNSR-INIZCTEOSA-N 2 1 300.446 2.628 20 0 DFADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000599425521 398978214 /nfs/dbraw/zinc/97/82/14/398978214.db2.gz LBFCBGFSXUIBPB-QAPCUYQASA-N 2 1 310.482 2.770 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194207316 201197730 /nfs/dbraw/zinc/19/77/30/201197730.db2.gz AZFICHZXBYVVLE-UHFFFAOYSA-N 2 1 319.493 2.511 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599496059 398994408 /nfs/dbraw/zinc/99/44/08/398994408.db2.gz SHOHTGLVJQXUNV-QGZVFWFLSA-N 2 1 307.438 2.778 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]1(C)C(=O)OC(C)(C)C ZINC000599496059 398994413 /nfs/dbraw/zinc/99/44/13/398994413.db2.gz SHOHTGLVJQXUNV-QGZVFWFLSA-N 2 1 307.438 2.778 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621648518 399007846 /nfs/dbraw/zinc/00/78/46/399007846.db2.gz WWVATLBZUODHRT-DLBZAZTESA-N 2 1 323.525 2.783 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642979 399007906 /nfs/dbraw/zinc/00/79/06/399007906.db2.gz YUKOIHXNXMRIMS-FGTMMUONSA-N 2 1 323.525 2.641 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccccc1C(=O)N(C)C)C[NH+]1CCCCC1 ZINC000417891648 296061400 /nfs/dbraw/zinc/06/14/00/296061400.db2.gz QWXHRZSNJYGCTK-INIZCTEOSA-N 2 1 317.477 2.600 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417906587 296062536 /nfs/dbraw/zinc/06/25/36/296062536.db2.gz CCDPVFAWZIZOOF-MRXNPFEDSA-N 2 1 317.477 2.598 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417906587 296062537 /nfs/dbraw/zinc/06/25/37/296062537.db2.gz CCDPVFAWZIZOOF-MRXNPFEDSA-N 2 1 317.477 2.598 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC000292942787 223319532 /nfs/dbraw/zinc/31/95/32/223319532.db2.gz NPAKSJAADYTDNQ-BGYRXZFFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC000292942787 223319534 /nfs/dbraw/zinc/31/95/34/223319534.db2.gz NPAKSJAADYTDNQ-BGYRXZFFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCC4CCOCC4)C[C@H]3C2)cc1 ZINC000292942787 223319537 /nfs/dbraw/zinc/31/95/37/223319537.db2.gz NPAKSJAADYTDNQ-BGYRXZFFSA-N 2 1 314.473 2.867 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000275505104 212379789 /nfs/dbraw/zinc/37/97/89/212379789.db2.gz JVVSOKGCVBQDMJ-OAHLLOKOSA-N 2 1 315.417 2.643 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000275488827 212367219 /nfs/dbraw/zinc/36/72/19/212367219.db2.gz IXKWNJINYUHMKW-CYBMUJFWSA-N 2 1 305.809 2.897 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCO1 ZINC000418031084 296073254 /nfs/dbraw/zinc/07/32/54/296073254.db2.gz LGQDKPXZUDRSST-WDSOQIARSA-N 2 1 302.462 2.881 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccccc1C(=O)N(C)C ZINC000418073587 296076672 /nfs/dbraw/zinc/07/66/72/296076672.db2.gz WYNHXLRYCRSUIJ-UHFFFAOYSA-N 2 1 319.493 2.942 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1C(=O)N(C)C ZINC000418073587 296076673 /nfs/dbraw/zinc/07/66/73/296076673.db2.gz WYNHXLRYCRSUIJ-UHFFFAOYSA-N 2 1 319.493 2.942 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000091741196 193100619 /nfs/dbraw/zinc/10/06/19/193100619.db2.gz VXSFIYQFNXBELC-CRAIPNDOSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1)C(C)C ZINC000618194153 399039519 /nfs/dbraw/zinc/03/95/19/399039519.db2.gz RWNHUIZXSHPJCB-UHFFFAOYSA-N 2 1 317.477 2.551 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3nccnc3C)C1)CCCC2 ZINC000621723775 399048388 /nfs/dbraw/zinc/04/83/88/399048388.db2.gz QNDYDOZLNLQGOC-HNNXBMFYSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3nccnc3C)C1)CCCC2 ZINC000621723775 399048392 /nfs/dbraw/zinc/04/83/92/399048392.db2.gz QNDYDOZLNLQGOC-HNNXBMFYSA-N 2 1 311.433 2.616 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCCC[C@@H]12 ZINC000595729368 399058781 /nfs/dbraw/zinc/05/87/81/399058781.db2.gz DWEOUFNZCJOPOC-RCCFBDPRSA-N 2 1 322.493 2.916 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621750262 399065151 /nfs/dbraw/zinc/06/51/51/399065151.db2.gz MBTMEVRKWSOGOU-FUHWJXTLSA-N 2 1 315.461 2.806 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621750261 399065552 /nfs/dbraw/zinc/06/55/52/399065552.db2.gz MBTMEVRKWSOGOU-AEFFLSMTSA-N 2 1 315.461 2.806 20 0 DFADMP CCO[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439222 399070719 /nfs/dbraw/zinc/07/07/19/399070719.db2.gz LHFHNXKMGWIFEJ-PJHKVULZSA-N 2 1 310.482 2.544 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780892 399076890 /nfs/dbraw/zinc/07/68/90/399076890.db2.gz WZBLNFQBEILYGC-GUYCJALGSA-N 2 1 319.474 2.550 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621780892 399076893 /nfs/dbraw/zinc/07/68/93/399076893.db2.gz WZBLNFQBEILYGC-GUYCJALGSA-N 2 1 319.474 2.550 20 0 DFADMP c1ccc2c(c1)CC[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000479532084 299379148 /nfs/dbraw/zinc/37/91/48/299379148.db2.gz XIZCVIBKGGTYIU-AOCRQIFASA-N 2 1 300.446 2.987 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@]4([NH3+])C3)cc2)n1 ZINC000621782246 399078314 /nfs/dbraw/zinc/07/83/14/399078314.db2.gz OBLLAGLNYZNBRK-MJGOQNOKSA-N 2 1 310.445 2.802 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H]4CCC[C@]4([NH3+])C3)cc2)n1 ZINC000621782246 399078317 /nfs/dbraw/zinc/07/83/17/399078317.db2.gz OBLLAGLNYZNBRK-MJGOQNOKSA-N 2 1 310.445 2.802 20 0 DFADMP C[C@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000292923164 284011099 /nfs/dbraw/zinc/01/10/99/284011099.db2.gz GHPHWIKXLWHCPZ-PXNSSMCTSA-N 2 1 316.489 2.834 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(NC(C)=O)cc2)CC1 ZINC000092165520 193170180 /nfs/dbraw/zinc/17/01/80/193170180.db2.gz ACEHCWUZGBYCDA-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(NC(C)=O)cc2)CC1 ZINC000092165520 193170182 /nfs/dbraw/zinc/17/01/82/193170182.db2.gz ACEHCWUZGBYCDA-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000092253652 193180184 /nfs/dbraw/zinc/18/01/84/193180184.db2.gz FEDXEWANQUMRQB-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@H]1CCC[NH+](C)C1 ZINC000092253652 193180186 /nfs/dbraw/zinc/18/01/86/193180186.db2.gz FEDXEWANQUMRQB-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@H]1CCC[N@H+](C)C1 ZINC000092253652 193180188 /nfs/dbraw/zinc/18/01/88/193180188.db2.gz FEDXEWANQUMRQB-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253652 193180190 /nfs/dbraw/zinc/18/01/90/193180190.db2.gz FEDXEWANQUMRQB-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545210 203076351 /nfs/dbraw/zinc/07/63/51/203076351.db2.gz JQMSQMHRUDDNDJ-WDYCEAGBSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1ccc(OC[C@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173960728 399103346 /nfs/dbraw/zinc/10/33/46/399103346.db2.gz MTCXOVKWVWIHHE-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173960728 399103351 /nfs/dbraw/zinc/10/33/51/399103351.db2.gz MTCXOVKWVWIHHE-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173960728 399103356 /nfs/dbraw/zinc/10/33/56/399103356.db2.gz MTCXOVKWVWIHHE-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173960728 399103362 /nfs/dbraw/zinc/10/33/62/399103362.db2.gz MTCXOVKWVWIHHE-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@H]3CC[NH2+]C3)c2C1 ZINC000261799172 203119235 /nfs/dbraw/zinc/11/92/35/203119235.db2.gz KXVDQDRSZFUNTF-AWEZNQCLSA-N 2 1 301.434 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@H]3CC[NH2+]C3)c2C1 ZINC000261799172 203119239 /nfs/dbraw/zinc/11/92/39/203119239.db2.gz KXVDQDRSZFUNTF-AWEZNQCLSA-N 2 1 301.434 2.740 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H]2CCC[C@@H]2C(C)(C)C)CC1 ZINC000419327192 296134811 /nfs/dbraw/zinc/13/48/11/296134811.db2.gz NIPIJINDBXUYAG-IRXDYDNUSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000261810771 203122532 /nfs/dbraw/zinc/12/25/32/203122532.db2.gz GMQXGKHLYRLHDG-SFHVURJKSA-N 2 1 317.477 2.766 20 0 DFADMP [NH3+]CCCCCCC(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000262004207 203172032 /nfs/dbraw/zinc/17/20/32/203172032.db2.gz QDTPXYSYCIZQLT-MRXNPFEDSA-N 2 1 323.868 2.722 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340193108 284157336 /nfs/dbraw/zinc/15/73/36/284157336.db2.gz SLWCHIPIKPJVBS-FHWLQOOXSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340193108 284157337 /nfs/dbraw/zinc/15/73/37/284157337.db2.gz SLWCHIPIKPJVBS-FHWLQOOXSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340193108 284157338 /nfs/dbraw/zinc/15/73/38/284157338.db2.gz SLWCHIPIKPJVBS-FHWLQOOXSA-N 2 1 301.478 2.896 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262631270 203357846 /nfs/dbraw/zinc/35/78/46/203357846.db2.gz HEMJCHOYSNNTFG-AEFFLSMTSA-N 2 1 317.477 2.623 20 0 DFADMP CN(C)C(=O)c1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000419627445 296146719 /nfs/dbraw/zinc/14/67/19/296146719.db2.gz DSRBOYQMGUTZCY-UHFFFAOYSA-N 2 1 317.477 2.787 20 0 DFADMP CNC(=O)CCC[N@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000093717909 193296328 /nfs/dbraw/zinc/29/63/28/193296328.db2.gz IUOLGESAWKTHHZ-UHFFFAOYSA-N 2 1 319.493 2.603 20 0 DFADMP CNC(=O)CCC[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000093717909 193296330 /nfs/dbraw/zinc/29/63/30/193296330.db2.gz IUOLGESAWKTHHZ-UHFFFAOYSA-N 2 1 319.493 2.603 20 0 DFADMP CNC(=O)CCC[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000093717909 193296331 /nfs/dbraw/zinc/29/63/31/193296331.db2.gz IUOLGESAWKTHHZ-UHFFFAOYSA-N 2 1 319.493 2.603 20 0 DFADMP CNC(=O)CCC[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000093717909 193296333 /nfs/dbraw/zinc/29/63/33/193296333.db2.gz IUOLGESAWKTHHZ-UHFFFAOYSA-N 2 1 319.493 2.603 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cnc21 ZINC000340419915 284183165 /nfs/dbraw/zinc/18/31/65/284183165.db2.gz ZBTXIXQQXQIJAO-IRXDYDNUSA-N 2 1 313.449 2.729 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cnc21 ZINC000340419915 284183166 /nfs/dbraw/zinc/18/31/66/284183166.db2.gz ZBTXIXQQXQIJAO-IRXDYDNUSA-N 2 1 313.449 2.729 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000340523624 284188001 /nfs/dbraw/zinc/18/80/01/284188001.db2.gz GZPQPGFFXVLUCS-MSOLQXFVSA-N 2 1 306.498 2.865 20 0 DFADMP C[C@@H]([NH2+]C1CCC(O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274925756 212038698 /nfs/dbraw/zinc/03/86/98/212038698.db2.gz PUAXHTIDCGBMRS-BJMVHTGZSA-N 2 1 302.462 2.790 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])s1 ZINC000595911233 399132173 /nfs/dbraw/zinc/13/21/73/399132173.db2.gz TZCZZTDMAMBNMO-TZMCWYRMSA-N 2 1 310.463 2.874 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420273959 296168081 /nfs/dbraw/zinc/16/80/81/296168081.db2.gz OAMVPPPMGHBECE-ZBFHGGJFSA-N 2 1 319.449 2.616 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000420273959 296168082 /nfs/dbraw/zinc/16/80/82/296168082.db2.gz OAMVPPPMGHBECE-ZBFHGGJFSA-N 2 1 319.449 2.616 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000420285463 296169277 /nfs/dbraw/zinc/16/92/77/296169277.db2.gz VRYCWTPWNXDAJE-MRXNPFEDSA-N 2 1 322.416 2.645 20 0 DFADMP CC[NH+](CC)CCCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000264869127 204224212 /nfs/dbraw/zinc/22/42/12/204224212.db2.gz GIKSDYQLPYCPQH-SFHVURJKSA-N 2 1 319.493 2.918 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]1C ZINC000596058069 399157771 /nfs/dbraw/zinc/15/77/71/399157771.db2.gz BXWVKOQSMNTXJV-BGTYHANMSA-N 2 1 322.493 2.676 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3sccc3C2)cc1 ZINC000420295884 296170440 /nfs/dbraw/zinc/17/04/40/296170440.db2.gz BCBCEMQCRMHWSC-OAHLLOKOSA-N 2 1 302.443 2.857 20 0 DFADMP CCC[N@H+](CCN1CC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC000420304208 296172165 /nfs/dbraw/zinc/17/21/65/296172165.db2.gz LFRGYDHXBDVNKZ-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP CCC[N@@H+](CCN1CC[NH2+]CC1)Cc1c(F)cccc1Cl ZINC000420304208 296172166 /nfs/dbraw/zinc/17/21/66/296172166.db2.gz LFRGYDHXBDVNKZ-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP Cn1ccnc1C[N@@H+](CCCCCF)[C@@H]1CC12CC[NH2+]CC2 ZINC000420305609 296172452 /nfs/dbraw/zinc/17/24/52/296172452.db2.gz GSLGQVXIUZSFCK-OAHLLOKOSA-N 2 1 308.445 2.504 20 0 DFADMP c1cc2c(c([C@@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)c1)OCCO2 ZINC000420305933 296172601 /nfs/dbraw/zinc/17/26/01/296172601.db2.gz QDSFFDLCLOSFSW-ZBFHGGJFSA-N 2 1 302.418 2.594 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420305389 296172658 /nfs/dbraw/zinc/17/26/58/296172658.db2.gz KBSPAJOZWQJTPG-IMJJTQAJSA-N 2 1 311.429 2.718 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000420305389 296172659 /nfs/dbraw/zinc/17/26/59/296172659.db2.gz KBSPAJOZWQJTPG-IMJJTQAJSA-N 2 1 311.429 2.718 20 0 DFADMP C[N@@H+](Cc1cc2ccccc2o1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420307918 296173085 /nfs/dbraw/zinc/17/30/85/296173085.db2.gz RRTFXBOJQHCAIT-OALUTQOASA-N 2 1 324.424 2.796 20 0 DFADMP C[N@H+](Cc1cc2ccccc2o1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420307918 296173087 /nfs/dbraw/zinc/17/30/87/296173087.db2.gz RRTFXBOJQHCAIT-OALUTQOASA-N 2 1 324.424 2.796 20 0 DFADMP C(c1nc(C2CCCC2)no1)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420311237 296173524 /nfs/dbraw/zinc/17/35/24/296173524.db2.gz HFTMMJDLZGUXEY-OAHLLOKOSA-N 2 1 304.438 2.549 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000420314365 296173576 /nfs/dbraw/zinc/17/35/76/296173576.db2.gz KSRCHVYADJPSIP-HNNXBMFYSA-N 2 1 319.449 2.617 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000420313704 296173801 /nfs/dbraw/zinc/17/38/01/296173801.db2.gz JIJOFLPEXJVVMH-CQSZACIVSA-N 2 1 305.447 2.634 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000420313704 296173802 /nfs/dbraw/zinc/17/38/02/296173802.db2.gz JIJOFLPEXJVVMH-CQSZACIVSA-N 2 1 305.447 2.634 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000622003719 399164686 /nfs/dbraw/zinc/16/46/86/399164686.db2.gz DXHAEPQAUUZFIK-PKOBYXMFSA-N 2 1 310.445 2.709 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000622003719 399164692 /nfs/dbraw/zinc/16/46/92/399164692.db2.gz DXHAEPQAUUZFIK-PKOBYXMFSA-N 2 1 310.445 2.709 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420321514 296174759 /nfs/dbraw/zinc/17/47/59/296174759.db2.gz VKOLVKONDYBIQJ-WMZOPIPTSA-N 2 1 316.445 2.531 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(OC)c(OC)c1 ZINC000420317691 296174242 /nfs/dbraw/zinc/17/42/42/296174242.db2.gz NSYILEOIBSVZIW-OAHLLOKOSA-N 2 1 306.450 2.915 20 0 DFADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420321401 296174974 /nfs/dbraw/zinc/17/49/74/296174974.db2.gz ZZYSQGJVXIISEQ-HUUCEWRRSA-N 2 1 303.450 2.637 20 0 DFADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420325115 296175275 /nfs/dbraw/zinc/17/52/75/296175275.db2.gz IBNWHUWUTVFWJZ-ZNMIVQPWSA-N 2 1 306.454 2.795 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)c1C ZINC000420324976 296175378 /nfs/dbraw/zinc/17/53/78/296175378.db2.gz VWIYSOALLMTFON-MRXNPFEDSA-N 2 1 303.450 2.563 20 0 DFADMP COc1cccc(CCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420326675 296175520 /nfs/dbraw/zinc/17/55/20/296175520.db2.gz KFDZMLDJCFEREZ-ZWKOTPCHSA-N 2 1 302.462 2.949 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000420321643 296174849 /nfs/dbraw/zinc/17/48/49/296174849.db2.gz RIVOTIJXCRCCEI-MJGOQNOKSA-N 2 1 301.478 2.977 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420330313 296176345 /nfs/dbraw/zinc/17/63/45/296176345.db2.gz HTUVYJNKIQFBIC-GASCZTMLSA-N 2 1 311.429 2.590 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331380 296176472 /nfs/dbraw/zinc/17/64/72/296176472.db2.gz BVGWJYMRUIMBEB-SJORKVTESA-N 2 1 315.461 2.563 20 0 DFADMP CCc1nnc([C@@H](C)[NH+]2CCC(OCC[NH+](CC)CC)CC2)o1 ZINC000080650443 399166270 /nfs/dbraw/zinc/16/62/70/399166270.db2.gz CVSGGKWNPUAGPL-CQSZACIVSA-N 2 1 324.469 2.516 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420325767 296175783 /nfs/dbraw/zinc/17/57/83/296175783.db2.gz BUGWQLCODBIFIZ-YESZJQIVSA-N 2 1 315.461 2.562 20 0 DFADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336667 296177166 /nfs/dbraw/zinc/17/71/66/296177166.db2.gz WCCLJPQBJKGJPK-WMZOPIPTSA-N 2 1 300.446 2.751 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335951 296177260 /nfs/dbraw/zinc/17/72/60/296177260.db2.gz IGCJDRCSDKLBDM-MSOLQXFVSA-N 2 1 323.525 2.737 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338901 296177506 /nfs/dbraw/zinc/17/75/06/296177506.db2.gz YGYGHTWLWNTGHF-KBPBESRZSA-N 2 1 322.474 2.665 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420334291 296176694 /nfs/dbraw/zinc/17/66/94/296176694.db2.gz GCSXYCNZMHAEOP-GVDBMIGSSA-N 2 1 315.461 2.644 20 0 DFADMP CCc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420332710 296176794 /nfs/dbraw/zinc/17/67/94/296176794.db2.gz DROGVJRBDASVAM-QZTJIDSGSA-N 2 1 302.462 2.949 20 0 DFADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000420343497 296177824 /nfs/dbraw/zinc/17/78/24/296177824.db2.gz ZLMGRAVVRSXQPW-DOMZBBRYSA-N 2 1 309.479 2.815 20 0 DFADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420344032 296178048 /nfs/dbraw/zinc/17/80/48/296178048.db2.gz RUDQQQXHKILSPR-KBPBESRZSA-N 2 1 321.852 2.600 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339038 296177585 /nfs/dbraw/zinc/17/75/85/296177585.db2.gz LOJRAVKFPJEMQI-IRXDYDNUSA-N 2 1 315.461 2.563 20 0 DFADMP Cc1cc([C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)ccc1F ZINC000420352847 296178869 /nfs/dbraw/zinc/17/88/69/296178869.db2.gz AWOACLPLINEMSF-CRAIPNDOSA-N 2 1 306.425 2.897 20 0 DFADMP c1csc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420346039 296178212 /nfs/dbraw/zinc/17/82/12/296178212.db2.gz XGMVXJLNJJNMRG-STQMWFEESA-N 2 1 318.446 2.620 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cs1 ZINC000420346875 296178439 /nfs/dbraw/zinc/17/84/39/296178439.db2.gz ZHVJFQHYZPVGSZ-STQMWFEESA-N 2 1 318.446 2.620 20 0 DFADMP CC(C)SCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000282498466 217041371 /nfs/dbraw/zinc/04/13/71/217041371.db2.gz NDSMRFZEVKQLTC-KRWDZBQOSA-N 2 1 307.507 2.977 20 0 DFADMP CC(C)SCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000282498466 217041373 /nfs/dbraw/zinc/04/13/73/217041373.db2.gz NDSMRFZEVKQLTC-KRWDZBQOSA-N 2 1 307.507 2.977 20 0 DFADMP CC(C)SCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000282498466 217041377 /nfs/dbraw/zinc/04/13/77/217041377.db2.gz NDSMRFZEVKQLTC-KRWDZBQOSA-N 2 1 307.507 2.977 20 0 DFADMP CC(C)SCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000282498466 217041380 /nfs/dbraw/zinc/04/13/80/217041380.db2.gz NDSMRFZEVKQLTC-KRWDZBQOSA-N 2 1 307.507 2.977 20 0 DFADMP COC(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282560236 217090032 /nfs/dbraw/zinc/09/00/32/217090032.db2.gz UEGSLEYGLZCORP-KRWDZBQOSA-N 2 1 318.461 2.830 20 0 DFADMP COC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282560236 217090035 /nfs/dbraw/zinc/09/00/35/217090035.db2.gz UEGSLEYGLZCORP-KRWDZBQOSA-N 2 1 318.461 2.830 20 0 DFADMP CC1(C)C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)Cc2ccccc21 ZINC000420366926 296181018 /nfs/dbraw/zinc/18/10/18/296181018.db2.gz VGKRATXBLNMERM-PMACEKPBSA-N 2 1 324.468 2.711 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccc(Br)cc1 ZINC000420367461 296181125 /nfs/dbraw/zinc/18/11/25/296181125.db2.gz SGGCVQZYNCMPIU-ZDUSSCGKSA-N 2 1 315.255 2.791 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000420373403 296182246 /nfs/dbraw/zinc/18/22/46/296182246.db2.gz ZARXOIDBGJWOFQ-CYBMUJFWSA-N 2 1 320.355 2.927 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420373727 296182257 /nfs/dbraw/zinc/18/22/57/296182257.db2.gz NDFQCNNBBIEGFM-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420373727 296182259 /nfs/dbraw/zinc/18/22/59/296182259.db2.gz NDFQCNNBBIEGFM-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(NC(=O)CC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420374002 296182414 /nfs/dbraw/zinc/18/24/14/296182414.db2.gz RQSIAKMUUULQCM-QGZVFWFLSA-N 2 1 319.449 2.521 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420377664 296183135 /nfs/dbraw/zinc/18/31/35/296183135.db2.gz PZOWJSWQOJWDQZ-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP Cc1cc(C)c2c(c1)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)CC2 ZINC000420379335 296183144 /nfs/dbraw/zinc/18/31/44/296183144.db2.gz VHFSLUSOTNXGGO-SFTDATJTSA-N 2 1 324.468 2.592 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378046 296183208 /nfs/dbraw/zinc/18/32/08/296183208.db2.gz BAQHKPBZDWOJDZ-SJLPKXTDSA-N 2 1 316.445 2.732 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378046 296183210 /nfs/dbraw/zinc/18/32/10/296183210.db2.gz BAQHKPBZDWOJDZ-SJLPKXTDSA-N 2 1 316.445 2.732 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420377664 296183133 /nfs/dbraw/zinc/18/31/33/296183133.db2.gz PZOWJSWQOJWDQZ-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420379937 296183548 /nfs/dbraw/zinc/18/35/48/296183548.db2.gz BSKUWZXWVSOLMM-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1c(C)nn(-c2ccccn2)c1C ZINC000282666762 217164327 /nfs/dbraw/zinc/16/43/27/217164327.db2.gz NICQNPYBVHKESS-UHFFFAOYSA-N 2 1 315.465 2.706 20 0 DFADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420390209 296184695 /nfs/dbraw/zinc/18/46/95/296184695.db2.gz ZAOMAEIKROKTKP-OCCSQVGLSA-N 2 1 319.840 2.788 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)c(C)c1OC ZINC000342089105 284323625 /nfs/dbraw/zinc/32/36/25/284323625.db2.gz SDRKBOCFPGJTMW-UHFFFAOYSA-N 2 1 306.450 2.975 20 0 DFADMP C[C@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@H]1C[NH3+] ZINC000420385234 296184536 /nfs/dbraw/zinc/18/45/36/296184536.db2.gz SPSRTVKPQJXXFF-GOEBONIOSA-N 2 1 314.433 2.586 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420388641 296185044 /nfs/dbraw/zinc/18/50/44/296185044.db2.gz XEVLPSPLCLUOKA-BLLLJJGKSA-N 2 1 319.840 2.788 20 0 DFADMP c1ccc(OCCOCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420401703 296186618 /nfs/dbraw/zinc/18/66/18/296186618.db2.gz PRNVKJINXSQVRW-HKUYNNGSSA-N 2 1 318.461 2.546 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000266040348 205049022 /nfs/dbraw/zinc/04/90/22/205049022.db2.gz CFTFJOSDFPRAOX-NXHRZFHOSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000266040348 205049027 /nfs/dbraw/zinc/04/90/27/205049027.db2.gz CFTFJOSDFPRAOX-NXHRZFHOSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000266040348 205049031 /nfs/dbraw/zinc/04/90/31/205049031.db2.gz CFTFJOSDFPRAOX-NXHRZFHOSA-N 2 1 317.477 2.621 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000282763387 217233848 /nfs/dbraw/zinc/23/38/48/217233848.db2.gz OKCPPZHNPGGQHX-QZTJIDSGSA-N 2 1 300.446 2.676 20 0 DFADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000266117598 205109983 /nfs/dbraw/zinc/10/99/83/205109983.db2.gz IKUVFHBYSWJJDZ-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000266117598 205109988 /nfs/dbraw/zinc/10/99/88/205109988.db2.gz IKUVFHBYSWJJDZ-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000607754794 399193143 /nfs/dbraw/zinc/19/31/43/399193143.db2.gz YINKOVKCTPQCHN-ZHALLVOQSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000607754794 399193147 /nfs/dbraw/zinc/19/31/47/399193147.db2.gz YINKOVKCTPQCHN-ZHALLVOQSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000607754794 399193151 /nfs/dbraw/zinc/19/31/51/399193151.db2.gz YINKOVKCTPQCHN-ZHALLVOQSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000607754794 399193156 /nfs/dbraw/zinc/19/31/56/399193156.db2.gz YINKOVKCTPQCHN-ZHALLVOQSA-N 2 1 304.478 2.990 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000266040347 284368266 /nfs/dbraw/zinc/36/82/66/284368266.db2.gz CFTFJOSDFPRAOX-NJAFHUGGSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000266040347 284368268 /nfs/dbraw/zinc/36/82/68/284368268.db2.gz CFTFJOSDFPRAOX-NJAFHUGGSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000266040347 284368271 /nfs/dbraw/zinc/36/82/71/284368271.db2.gz CFTFJOSDFPRAOX-NJAFHUGGSA-N 2 1 317.477 2.621 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000614336631 399211563 /nfs/dbraw/zinc/21/15/63/399211563.db2.gz ZZKGINJKDXZAGG-KRWDZBQOSA-N 2 1 311.514 2.831 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000342727742 284395657 /nfs/dbraw/zinc/39/56/57/284395657.db2.gz IAHGFIPXXQAUCQ-WMZOPIPTSA-N 2 1 320.477 2.973 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420926090 296213058 /nfs/dbraw/zinc/21/30/58/296213058.db2.gz XIWPQFSEBSJFPY-MRXNPFEDSA-N 2 1 320.502 2.846 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420926090 296213059 /nfs/dbraw/zinc/21/30/59/296213059.db2.gz XIWPQFSEBSJFPY-MRXNPFEDSA-N 2 1 320.502 2.846 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926027 296213192 /nfs/dbraw/zinc/21/31/92/296213192.db2.gz MPKRBFASANRBHT-MOPGFXCFSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926027 296213194 /nfs/dbraw/zinc/21/31/94/296213194.db2.gz MPKRBFASANRBHT-MOPGFXCFSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926027 296213195 /nfs/dbraw/zinc/21/31/95/296213195.db2.gz MPKRBFASANRBHT-MOPGFXCFSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926027 296213196 /nfs/dbraw/zinc/21/31/96/296213196.db2.gz MPKRBFASANRBHT-MOPGFXCFSA-N 2 1 320.452 2.678 20 0 DFADMP CC(C)c1cc(N2CCC[N@@H+](C(C)(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000608081002 399231426 /nfs/dbraw/zinc/23/14/26/399231426.db2.gz CHKPBDDUGXBWDL-UHFFFAOYSA-N 2 1 319.497 2.977 20 0 DFADMP CC(C)c1cc(N2CCC[N@H+](C(C)(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000608081002 399231427 /nfs/dbraw/zinc/23/14/27/399231427.db2.gz CHKPBDDUGXBWDL-UHFFFAOYSA-N 2 1 319.497 2.977 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000420921737 296212837 /nfs/dbraw/zinc/21/28/37/296212837.db2.gz MIUKPFKBJRTJPG-OALUTQOASA-N 2 1 300.446 2.893 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000420921737 296212838 /nfs/dbraw/zinc/21/28/38/296212838.db2.gz MIUKPFKBJRTJPG-OALUTQOASA-N 2 1 300.446 2.893 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926030 296212910 /nfs/dbraw/zinc/21/29/10/296212910.db2.gz MPKRBFASANRBHT-OALUTQOASA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926030 296212911 /nfs/dbraw/zinc/21/29/11/296212911.db2.gz MPKRBFASANRBHT-OALUTQOASA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926030 296212912 /nfs/dbraw/zinc/21/29/12/296212912.db2.gz MPKRBFASANRBHT-OALUTQOASA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926030 296212914 /nfs/dbraw/zinc/21/29/14/296212914.db2.gz MPKRBFASANRBHT-OALUTQOASA-N 2 1 320.452 2.678 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[N@H+](C)CC)C2)o1 ZINC000608240792 399245121 /nfs/dbraw/zinc/24/51/21/399245121.db2.gz YATRVMIHXVSCTK-OAHLLOKOSA-N 2 1 321.465 2.535 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000608358142 399255860 /nfs/dbraw/zinc/25/58/60/399255860.db2.gz VEULJKWOHBAAGU-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622738497 399269490 /nfs/dbraw/zinc/26/94/90/399269490.db2.gz UTDJUWFVHIYOFU-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]2CCC[C@H]21 ZINC000608498467 399271060 /nfs/dbraw/zinc/27/10/60/399271060.db2.gz NVFSVLGUYLMGDN-CEXWTWQISA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]2CCC[C@H]21 ZINC000608498467 399271063 /nfs/dbraw/zinc/27/10/63/399271063.db2.gz NVFSVLGUYLMGDN-CEXWTWQISA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000608498467 399271065 /nfs/dbraw/zinc/27/10/65/399271065.db2.gz NVFSVLGUYLMGDN-CEXWTWQISA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000608498467 399271069 /nfs/dbraw/zinc/27/10/69/399271069.db2.gz NVFSVLGUYLMGDN-CEXWTWQISA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000618986575 399270718 /nfs/dbraw/zinc/27/07/18/399270718.db2.gz GMBIXXVHFGCGJS-WMZOPIPTSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000618987819 399271613 /nfs/dbraw/zinc/27/16/13/399271613.db2.gz UZFPOYNPSAPZFH-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)c1sccc1C[NH+](C)C ZINC000618987539 399272003 /nfs/dbraw/zinc/27/20/03/399272003.db2.gz PRUXPWXVODQESH-AWEZNQCLSA-N 2 1 323.506 2.660 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2sccc2Br)CC1 ZINC000274102774 211357042 /nfs/dbraw/zinc/35/70/42/211357042.db2.gz TTZBFQGVSBVYSY-UHFFFAOYSA-N 2 1 301.253 2.862 20 0 DFADMP c1[nH]nc2c1CN([C@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CC2 ZINC000623244026 399345191 /nfs/dbraw/zinc/34/51/91/399345191.db2.gz XJOAOTKXDUJXOT-SFHVURJKSA-N 2 1 322.456 2.965 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC[N@@H+]1C ZINC000273914439 211169320 /nfs/dbraw/zinc/16/93/20/211169320.db2.gz CUJBWTJWCSRUOJ-WEOZKBJRSA-N 2 1 302.462 2.889 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC[N@H+]1C ZINC000273914439 211169325 /nfs/dbraw/zinc/16/93/25/211169325.db2.gz CUJBWTJWCSRUOJ-WEOZKBJRSA-N 2 1 302.462 2.889 20 0 DFADMP COc1cccc([C@H](CN[C@H]2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)c1 ZINC000623335881 399364957 /nfs/dbraw/zinc/36/49/57/399364957.db2.gz JUWMJCOSLPKFGR-WMZOPIPTSA-N 2 1 319.493 2.760 20 0 DFADMP C[C@@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000623347007 399367763 /nfs/dbraw/zinc/36/77/63/399367763.db2.gz KVLLDFHOEIHCKH-QFBILLFUSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000623347007 399367765 /nfs/dbraw/zinc/36/77/65/399367765.db2.gz KVLLDFHOEIHCKH-QFBILLFUSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000623347007 399367768 /nfs/dbraw/zinc/36/77/68/399367768.db2.gz KVLLDFHOEIHCKH-QFBILLFUSA-N 2 1 315.505 2.896 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000271665353 209106423 /nfs/dbraw/zinc/10/64/23/209106423.db2.gz LWDUKNROQCSCID-UHFFFAOYSA-N 2 1 315.446 2.958 20 0 DFADMP CCN1CCC([N@@H+]2CCCN(C(=O)C(C)(C)C(C)C)CC2)CC1 ZINC000422016714 296291129 /nfs/dbraw/zinc/29/11/29/296291129.db2.gz IIECYHBVSYKVJJ-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP CCN1CCC([N@H+]2CCCN(C(=O)C(C)(C)C(C)C)CC2)CC1 ZINC000422016714 296291131 /nfs/dbraw/zinc/29/11/31/296291131.db2.gz IIECYHBVSYKVJJ-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)c2ccccc2F)CC1 ZINC000105876461 194152732 /nfs/dbraw/zinc/15/27/32/194152732.db2.gz ZWTQPSQDOWOIFM-KRWDZBQOSA-N 2 1 317.408 2.547 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccn3)CC2)CC1(C)C ZINC000623357602 399371126 /nfs/dbraw/zinc/37/11/26/399371126.db2.gz XQCKCPMIBSDEFA-MRXNPFEDSA-N 2 1 302.466 2.513 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623361195 399372200 /nfs/dbraw/zinc/37/22/00/399372200.db2.gz QUVQCHSMKBSWJK-MRXNPFEDSA-N 2 1 303.450 2.998 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623361195 399372202 /nfs/dbraw/zinc/37/22/02/399372202.db2.gz QUVQCHSMKBSWJK-MRXNPFEDSA-N 2 1 303.450 2.998 20 0 DFADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1OC1CC1 ZINC000623363143 399373201 /nfs/dbraw/zinc/37/32/01/399373201.db2.gz BLGDYEBRLARTBG-UHFFFAOYSA-N 2 1 315.417 2.921 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623374986 399374926 /nfs/dbraw/zinc/37/49/26/399374926.db2.gz YAFFXODSQHDHEL-OAHLLOKOSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)cc1OC1CC1 ZINC000623387204 399377855 /nfs/dbraw/zinc/37/78/55/399377855.db2.gz PSSUKSUCWRATPC-UHFFFAOYSA-N 2 1 301.390 2.531 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC1(C)C ZINC000623387575 399377923 /nfs/dbraw/zinc/37/79/23/399377923.db2.gz JUVLDRKVKRZROV-INIZCTEOSA-N 2 1 303.450 2.833 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC1(C)C ZINC000623387575 399377925 /nfs/dbraw/zinc/37/79/25/399377925.db2.gz JUVLDRKVKRZROV-INIZCTEOSA-N 2 1 303.450 2.833 20 0 DFADMP C[NH+](C)CCOc1ccccc1CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385590 399377762 /nfs/dbraw/zinc/37/77/62/399377762.db2.gz SSFOKYIDGFTKCK-QGZVFWFLSA-N 2 1 319.493 2.589 20 0 DFADMP COc1cccc(N2CC[C@@H]([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623399226 399380637 /nfs/dbraw/zinc/38/06/37/399380637.db2.gz BRGNQXDYPKMQLG-JKSUJKDBSA-N 2 1 317.477 2.736 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(C)(C)C(N)=O)CC1 ZINC000285293072 218369253 /nfs/dbraw/zinc/36/92/53/218369253.db2.gz RSJCLRBQPBYLDQ-UHFFFAOYSA-N 2 1 317.477 2.531 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445946 399392024 /nfs/dbraw/zinc/39/20/24/399392024.db2.gz LADOBIVKJOTLOG-ZIAGYGMSSA-N 2 1 322.884 2.776 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCc4[nH]cnc4C3)ccc21 ZINC000615874942 399393373 /nfs/dbraw/zinc/39/33/73/399393373.db2.gz ZUZTWUGVDDAALF-UGSOOPFHSA-N 2 1 324.428 2.702 20 0 DFADMP CC[N@H+](CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000268835557 207000876 /nfs/dbraw/zinc/00/08/76/207000876.db2.gz LFFURGWXHCPPQZ-MRXNPFEDSA-N 2 1 319.493 2.762 20 0 DFADMP CC[N@@H+](CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000268835557 207000881 /nfs/dbraw/zinc/00/08/81/207000881.db2.gz LFFURGWXHCPPQZ-MRXNPFEDSA-N 2 1 319.493 2.762 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)ccc1OC ZINC000422559461 296312396 /nfs/dbraw/zinc/31/23/96/296312396.db2.gz DBWFFTIUZRXCDG-YCPHGPKFSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]1C[NH3+] ZINC000422561481 296312539 /nfs/dbraw/zinc/31/25/39/296312539.db2.gz LKCTUYKAZJUYGN-IJEWVQPXSA-N 2 1 304.434 2.653 20 0 DFADMP CCC[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268846466 207013414 /nfs/dbraw/zinc/01/34/14/207013414.db2.gz BQKPYNQJILEPJQ-IBGZPJMESA-N 2 1 322.468 2.973 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422565142 296313188 /nfs/dbraw/zinc/31/31/88/296313188.db2.gz XSTMAICSKLETIF-IHRRRGAJSA-N 2 1 310.511 2.795 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)s1 ZINC000422565142 296313189 /nfs/dbraw/zinc/31/31/89/296313189.db2.gz XSTMAICSKLETIF-IHRRRGAJSA-N 2 1 310.511 2.795 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000623467162 399396094 /nfs/dbraw/zinc/39/60/94/399396094.db2.gz ZMJOOXNXTMQVEI-LSDHHAIUSA-N 2 1 312.523 2.894 20 0 DFADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268862922 207030781 /nfs/dbraw/zinc/03/07/81/207030781.db2.gz SNCJKWCDBFBRRT-KUHUBIRLSA-N 2 1 320.452 2.886 20 0 DFADMP COc1ccc([C@@H](CCO)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623476852 399397657 /nfs/dbraw/zinc/39/76/57/399397657.db2.gz RHXNACRXLSQCCZ-NVXWUHKLSA-N 2 1 306.450 2.581 20 0 DFADMP COc1ccc([C@@H](CCO)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623476851 399397422 /nfs/dbraw/zinc/39/74/22/399397422.db2.gz RHXNACRXLSQCCZ-DOTOQJQBSA-N 2 1 306.450 2.581 20 0 DFADMP O[C@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268878895 207048622 /nfs/dbraw/zinc/04/86/22/207048622.db2.gz LFQQNXCCWACPSN-MOPGFXCFSA-N 2 1 320.452 2.726 20 0 DFADMP CC(C)Oc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268889785 207057919 /nfs/dbraw/zinc/05/79/19/207057919.db2.gz ZXYGDIOEWUMPQL-RDJZCZTQSA-N 2 1 306.450 2.581 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc(F)c1F ZINC000623498808 399402494 /nfs/dbraw/zinc/40/24/94/399402494.db2.gz IEXFNWWIAUDHIP-GFCCVEGCSA-N 2 1 320.387 2.580 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000159314752 197344944 /nfs/dbraw/zinc/34/49/44/197344944.db2.gz FFILNVSXNCKLBC-HNNXBMFYSA-N 2 1 315.461 2.948 20 0 DFADMP c1cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nc2s1 ZINC000422699554 296318264 /nfs/dbraw/zinc/31/82/64/296318264.db2.gz DPSROSWGYIUUOB-SOUVJXGZSA-N 2 1 304.463 2.796 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000268917588 207084207 /nfs/dbraw/zinc/08/42/07/207084207.db2.gz VHKFVJGMIJHKNT-BPQIPLTHSA-N 2 1 304.478 2.894 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000623507935 399405381 /nfs/dbraw/zinc/40/53/81/399405381.db2.gz BJEUOHMQTREMQA-CYBMUJFWSA-N 2 1 305.809 2.897 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422712325 296320222 /nfs/dbraw/zinc/32/02/22/296320222.db2.gz IISOJWCEBFWJGC-VAMGGRTRSA-N 2 1 315.505 2.801 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OC1CCCC1 ZINC000422711674 296320350 /nfs/dbraw/zinc/32/03/50/296320350.db2.gz NHTSQPSPAGSPIL-UHFFFAOYSA-N 2 1 304.434 2.858 20 0 DFADMP C[NH+](C)C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623525359 399408534 /nfs/dbraw/zinc/40/85/34/399408534.db2.gz HZMAOKDCAJBINB-DLBZAZTESA-N 2 1 307.457 2.891 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1OC1CC1 ZINC000623527843 399408908 /nfs/dbraw/zinc/40/89/08/399408908.db2.gz KBBJLRLLFNHEHJ-CYBMUJFWSA-N 2 1 313.401 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531165 399409804 /nfs/dbraw/zinc/40/98/04/399409804.db2.gz KXGFPCXENGNOIL-LSDHHAIUSA-N 2 1 305.441 2.867 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)CC1(C)C ZINC000623540391 399411578 /nfs/dbraw/zinc/41/15/78/399411578.db2.gz XREMSELVWJTDFR-IKGGRYGDSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422724109 296321693 /nfs/dbraw/zinc/32/16/93/296321693.db2.gz ULLVTVUZDQNKPM-RDTXWAMCSA-N 2 1 305.441 2.520 20 0 DFADMP C[N@H+]1CC[C@@H](N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1(C)C ZINC000623547053 399413218 /nfs/dbraw/zinc/41/32/18/399413218.db2.gz FTXFIPQPUXKLCD-OSAQELSMSA-N 2 1 324.490 2.784 20 0 DFADMP CCc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000422726767 296322365 /nfs/dbraw/zinc/32/23/65/296322365.db2.gz AMDHERKWIAHITF-ZZJWQFMZSA-N 2 1 301.478 2.724 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723534 296321902 /nfs/dbraw/zinc/32/19/02/296321902.db2.gz RSPXXKIXEJVWNO-ACJLOTCBSA-N 2 1 323.431 2.517 20 0 DFADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000623572898 399418677 /nfs/dbraw/zinc/41/86/77/399418677.db2.gz QLGGQMHLNXYNFJ-OAHLLOKOSA-N 2 1 309.498 2.535 20 0 DFADMP CNC(=O)CC1(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CCCCC1 ZINC000623572897 399419039 /nfs/dbraw/zinc/41/90/39/399419039.db2.gz QLGGQMHLNXYNFJ-HNNXBMFYSA-N 2 1 309.498 2.535 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)OC)c1 ZINC000623587418 399422817 /nfs/dbraw/zinc/42/28/17/399422817.db2.gz PZVCPENPSMDNPJ-WBVHZDCISA-N 2 1 306.450 2.845 20 0 DFADMP CS[C@H](CO)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268985493 207143109 /nfs/dbraw/zinc/14/31/09/207143109.db2.gz FJBVNTAZESRLIM-PBFPGSCMSA-N 2 1 319.474 2.944 20 0 DFADMP CSCC[C@H](C)[N@@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000610988885 399425311 /nfs/dbraw/zinc/42/53/11/399425311.db2.gz USLZFQXRWWFTJQ-RDJZCZTQSA-N 2 1 310.507 2.553 20 0 DFADMP C[N@@H+](Cc1ccccc1CN[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000422732525 296323367 /nfs/dbraw/zinc/32/33/67/296323367.db2.gz OVUPMMPAYCPCIQ-SFHVURJKSA-N 2 1 301.478 2.903 20 0 DFADMP CCc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000422732793 296323445 /nfs/dbraw/zinc/32/34/45/296323445.db2.gz PIOJTJBBZBTAIF-IPELMVKDSA-N 2 1 303.494 2.829 20 0 DFADMP CCc1ccc([C@H](CN[C@@H]2CC[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000422732794 296323486 /nfs/dbraw/zinc/32/34/86/296323486.db2.gz PIOJTJBBZBTAIF-LZQZEXGQSA-N 2 1 303.494 2.829 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623656808 399437419 /nfs/dbraw/zinc/43/74/19/399437419.db2.gz CGCQNHDIFSNSQV-FUHWJXTLSA-N 2 1 320.477 2.922 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000269052881 207202058 /nfs/dbraw/zinc/20/20/58/207202058.db2.gz RNYRHPYISFCNJH-HKUYNNGSSA-N 2 1 324.472 2.994 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000269052881 207202065 /nfs/dbraw/zinc/20/20/65/207202065.db2.gz RNYRHPYISFCNJH-HKUYNNGSSA-N 2 1 324.472 2.994 20 0 DFADMP CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccc2c(c1)OCO2 ZINC000269138163 207268238 /nfs/dbraw/zinc/26/82/38/207268238.db2.gz XHJLICURLRNPEI-UHFFFAOYSA-N 2 1 301.390 2.832 20 0 DFADMP CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccc2c(c1)OCO2 ZINC000269138163 207268242 /nfs/dbraw/zinc/26/82/42/207268242.db2.gz XHJLICURLRNPEI-UHFFFAOYSA-N 2 1 301.390 2.832 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[nH]1 ZINC000602515842 399465429 /nfs/dbraw/zinc/46/54/29/399465429.db2.gz ZRXGFWRXHVVFOD-HNNXBMFYSA-N 2 1 321.465 2.936 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1 ZINC000269151767 207277993 /nfs/dbraw/zinc/27/79/93/207277993.db2.gz SCSILPYVMWTTOG-UHFFFAOYSA-N 2 1 317.477 2.920 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1 ZINC000269200962 207320684 /nfs/dbraw/zinc/32/06/84/207320684.db2.gz KHDVLBGPFOCAEZ-QAPCUYQASA-N 2 1 317.477 2.728 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000422737195 296324134 /nfs/dbraw/zinc/32/41/34/296324134.db2.gz ZCHZZCMSBYDWHY-RYUDHWBXSA-N 2 1 302.340 2.715 20 0 DFADMP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000269217745 207336784 /nfs/dbraw/zinc/33/67/84/207336784.db2.gz QACYDJZCKAFDEO-HNNXBMFYSA-N 2 1 323.440 2.791 20 0 DFADMP C[N@@H+](CCCNC(=O)CCCCCC[NH3+])Cc1ccccc1 ZINC000269226944 207348358 /nfs/dbraw/zinc/34/83/58/207348358.db2.gz FTOYFSVKKUHAOG-UHFFFAOYSA-N 2 1 305.466 2.534 20 0 DFADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422748214 296325795 /nfs/dbraw/zinc/32/57/95/296325795.db2.gz SMYCUJVTCAWIBB-JZXOWHBKSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422748214 296325796 /nfs/dbraw/zinc/32/57/96/296325796.db2.gz SMYCUJVTCAWIBB-JZXOWHBKSA-N 3 1 301.478 2.800 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422769671 296329841 /nfs/dbraw/zinc/32/98/41/296329841.db2.gz VZZTUVLKLGUIAH-HFTRVMKXSA-N 2 1 305.441 2.915 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422778411 296331470 /nfs/dbraw/zinc/33/14/70/296331470.db2.gz HKLICRUAPYSASD-OKZBNKHCSA-N 3 1 304.482 2.872 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000623894935 399489037 /nfs/dbraw/zinc/48/90/37/399489037.db2.gz FXLVQHJMAWHBPO-MHORFTMASA-N 2 1 312.498 2.671 20 0 DFADMP Fc1ccc([C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCCO2)cc1 ZINC000422787557 296332632 /nfs/dbraw/zinc/33/26/32/296332632.db2.gz ROPCXSCITZGBLE-CIQAELJKSA-N 2 1 304.409 2.918 20 0 DFADMP C[NH+]1CCC(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623925358 399495724 /nfs/dbraw/zinc/49/57/24/399495724.db2.gz CDKYXKPYBGALQQ-UHFFFAOYSA-N 2 1 323.444 2.751 20 0 DFADMP COc1cccc(O[C@@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422793709 296334160 /nfs/dbraw/zinc/33/41/60/296334160.db2.gz SOCRXLGSXWWNAK-QWHCGFSZSA-N 2 1 301.390 2.621 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000269246656 207383414 /nfs/dbraw/zinc/38/34/14/207383414.db2.gz VBGZLLWFJHBSHL-MAUKXSAKSA-N 2 1 317.477 2.518 20 0 DFADMP C[N@@H+]1CC[C@@H](Nc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC000623948179 399501736 /nfs/dbraw/zinc/50/17/36/399501736.db2.gz DEHLRNDEEHNUBN-GOSISDBHSA-N 2 1 317.477 2.804 20 0 DFADMP C[N@H+]1CC[C@@H](Nc2ccc(C[NH+]3CCOCC3)cc2)CC1(C)C ZINC000623948179 399501737 /nfs/dbraw/zinc/50/17/37/399501737.db2.gz DEHLRNDEEHNUBN-GOSISDBHSA-N 2 1 317.477 2.804 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000269251631 207388889 /nfs/dbraw/zinc/38/88/89/207388889.db2.gz ZFFZQPYGPMZDFI-MAUKXSAKSA-N 2 1 317.477 2.518 20 0 DFADMP Cc1csc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422810596 296337184 /nfs/dbraw/zinc/33/71/84/296337184.db2.gz NVDPHTUFIZNSGU-WMLDXEAASA-N 2 1 315.442 2.797 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000631841420 399506915 /nfs/dbraw/zinc/50/69/15/399506915.db2.gz KKGPDCTYYSEGHU-MAUKXSAKSA-N 2 1 323.440 2.966 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1c[nH+]ccc1N ZINC000422824344 296339833 /nfs/dbraw/zinc/33/98/33/296339833.db2.gz NOZZNESGLHAAFN-GFCCVEGCSA-N 2 1 313.401 2.851 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422829786 296340845 /nfs/dbraw/zinc/34/08/45/296340845.db2.gz CACZPZQJTMURLG-LSDHHAIUSA-N 2 1 322.449 2.852 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH2+]C1 ZINC000347000706 285000762 /nfs/dbraw/zinc/00/07/62/285000762.db2.gz ZUWWIKSEKGRWBL-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422830115 296341059 /nfs/dbraw/zinc/34/10/59/296341059.db2.gz IAGNRXJILFKMTI-ROUUACIJSA-N 2 1 312.461 2.733 20 0 DFADMP C[C@H](NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]1 ZINC000422830408 296341112 /nfs/dbraw/zinc/34/11/12/296341112.db2.gz QZIWNGURXMGEAS-WMLDXEAASA-N 2 1 307.507 2.690 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422839511 296342430 /nfs/dbraw/zinc/34/24/30/296342430.db2.gz QJAOJKOVWSWLHR-NUJGCVRESA-N 3 1 321.534 2.938 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422839511 296342431 /nfs/dbraw/zinc/34/24/31/296342431.db2.gz QJAOJKOVWSWLHR-NUJGCVRESA-N 3 1 321.534 2.938 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000358294953 285012565 /nfs/dbraw/zinc/01/25/65/285012565.db2.gz CJOXGLCCBBWDCM-KBXCAEBGSA-N 2 1 324.440 2.602 20 0 DFADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422857493 296345974 /nfs/dbraw/zinc/34/59/74/296345974.db2.gz HTANDUXYPWFTTO-VQIMIIECSA-N 2 1 312.461 2.762 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422859971 296346112 /nfs/dbraw/zinc/34/61/12/296346112.db2.gz KUNQHHJNMQAMHY-INIZCTEOSA-N 3 1 301.478 2.903 20 0 DFADMP C[C@H]1CCCC[N@@H+]1Cc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000422859971 296346113 /nfs/dbraw/zinc/34/61/13/296346113.db2.gz KUNQHHJNMQAMHY-INIZCTEOSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000422859971 296346114 /nfs/dbraw/zinc/34/61/14/296346114.db2.gz KUNQHHJNMQAMHY-INIZCTEOSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422865552 296347191 /nfs/dbraw/zinc/34/71/91/296347191.db2.gz YMNFWCDNVMJKJL-VDZJLULYSA-N 2 1 301.478 2.551 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422870839 296347711 /nfs/dbraw/zinc/34/77/11/296347711.db2.gz ZHUYIRWASDKCLQ-YWTNHNAXSA-N 2 1 303.494 2.655 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)CCCC[NH3+])CCCC2)CC1 ZINC000422891938 296351499 /nfs/dbraw/zinc/35/14/99/296351499.db2.gz WXXHPBFDOFXVJT-INIZCTEOSA-N 3 1 311.514 2.517 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422893712 296351806 /nfs/dbraw/zinc/35/18/06/296351806.db2.gz AOHDKDVDRSAXLV-VQIMIIECSA-N 2 1 301.478 2.676 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422893698 296351880 /nfs/dbraw/zinc/35/18/80/296351880.db2.gz AOHDKDVDRSAXLV-APWZRJJASA-N 2 1 301.478 2.676 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422904231 296353885 /nfs/dbraw/zinc/35/38/85/296353885.db2.gz GKZYDLCNZREVFJ-KFKAGJAMSA-N 2 1 319.493 2.808 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)C1C[NH2+]C1 ZINC000422904963 296353997 /nfs/dbraw/zinc/35/39/97/296353997.db2.gz YLLUZKWWGTVTKO-LBPRGKRZSA-N 2 1 301.365 2.711 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H]3CCCCC[C@@H]3[NH3+])cn2)n1 ZINC000422905044 296354049 /nfs/dbraw/zinc/35/40/49/296354049.db2.gz YNSBUKDDDFYWAP-IRXDYDNUSA-N 2 1 313.449 2.634 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422909402 296354478 /nfs/dbraw/zinc/35/44/78/296354478.db2.gz FUVNAQLDCUDLHZ-DFNIBXOVSA-N 3 1 301.478 2.899 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422909402 296354480 /nfs/dbraw/zinc/35/44/80/296354480.db2.gz FUVNAQLDCUDLHZ-DFNIBXOVSA-N 2 1 301.478 2.899 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422909402 296354481 /nfs/dbraw/zinc/35/44/81/296354481.db2.gz FUVNAQLDCUDLHZ-DFNIBXOVSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)C[C@H](C)O1 ZINC000422913702 296355235 /nfs/dbraw/zinc/35/52/35/296355235.db2.gz QOHFUKABGIIKSM-QGWWYQLQSA-N 3 1 317.477 2.610 20 0 DFADMP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C[C@H](C)O1 ZINC000422913702 296355236 /nfs/dbraw/zinc/35/52/36/296355236.db2.gz QOHFUKABGIIKSM-QGWWYQLQSA-N 2 1 317.477 2.610 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2C[C@H](N)c3ccccc32)C[C@H](C)O1 ZINC000422913702 296355237 /nfs/dbraw/zinc/35/52/37/296355237.db2.gz QOHFUKABGIIKSM-QGWWYQLQSA-N 2 1 317.477 2.610 20 0 DFADMP COc1cccc(OCCC[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422919149 296355739 /nfs/dbraw/zinc/35/57/39/296355739.db2.gz JOMNTWHCEFJFJZ-CYBMUJFWSA-N 2 1 301.390 2.622 20 0 DFADMP FC(F)(F)COCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422931089 296356748 /nfs/dbraw/zinc/35/67/48/296356748.db2.gz WXZPDLDRMUSRPT-KGLIPLIRSA-N 2 1 302.340 2.648 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422937713 296357938 /nfs/dbraw/zinc/35/79/38/296357938.db2.gz KAARPYWRKMIFTO-IHPCNDPISA-N 2 1 315.505 2.786 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422937713 296357939 /nfs/dbraw/zinc/35/79/39/296357939.db2.gz KAARPYWRKMIFTO-IHPCNDPISA-N 2 1 315.505 2.786 20 0 DFADMP CCCCNC(=O)[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120116919 195099456 /nfs/dbraw/zinc/09/94/56/195099456.db2.gz MPRJXYYRHFQRBV-KRWDZBQOSA-N 2 1 320.481 2.600 20 0 DFADMP CCCCNC(=O)[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120116919 195099457 /nfs/dbraw/zinc/09/94/57/195099457.db2.gz MPRJXYYRHFQRBV-KRWDZBQOSA-N 2 1 320.481 2.600 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887487 399519799 /nfs/dbraw/zinc/51/97/99/399519799.db2.gz SBOIMDVNQYFADT-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP CC(C)[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422947739 296359433 /nfs/dbraw/zinc/35/94/33/296359433.db2.gz YSJOBVSAFFPOLF-PWIZWCRZSA-N 2 1 315.505 2.799 20 0 DFADMP c1ccc2c(CC[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)nsc2c1 ZINC000631890158 399521004 /nfs/dbraw/zinc/52/10/04/399521004.db2.gz MUBFOWNEQXNNOY-CJNGLKHVSA-N 2 1 301.459 2.913 20 0 DFADMP c1ccc2c(CC[N@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)nsc2c1 ZINC000631890158 399521007 /nfs/dbraw/zinc/52/10/07/399521007.db2.gz MUBFOWNEQXNNOY-CJNGLKHVSA-N 2 1 301.459 2.913 20 0 DFADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422963211 296361783 /nfs/dbraw/zinc/36/17/83/296361783.db2.gz HZQNWIRKAVQQRE-BRWVUGGUSA-N 2 1 303.450 2.881 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000422967340 296362780 /nfs/dbraw/zinc/36/27/80/296362780.db2.gz OYFJUNUJJDJKDQ-CGTJXYLNSA-N 2 1 304.478 2.909 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000422967341 296362530 /nfs/dbraw/zinc/36/25/30/296362530.db2.gz OYFJUNUJJDJKDQ-JQHSSLGASA-N 2 1 304.478 2.909 20 0 DFADMP C[N@@H+](Cc1cccnc1C(F)(F)F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000625347435 399528938 /nfs/dbraw/zinc/52/89/38/399528938.db2.gz DWDVMSRAFLNCDE-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1cccnc1C(F)(F)F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000625347435 399528942 /nfs/dbraw/zinc/52/89/42/399528942.db2.gz DWDVMSRAFLNCDE-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422972362 296363377 /nfs/dbraw/zinc/36/33/77/296363377.db2.gz LFVBOWNFPSVGEP-IXDOHACOSA-N 2 1 303.450 2.881 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000624037076 399531531 /nfs/dbraw/zinc/53/15/31/399531531.db2.gz LBIOUCJHLNIXIF-GURQWTFNSA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@@H]2CCCOC2)cc1 ZINC000624037076 399531536 /nfs/dbraw/zinc/53/15/36/399531536.db2.gz LBIOUCJHLNIXIF-GURQWTFNSA-N 2 1 314.473 2.913 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422994521 296364847 /nfs/dbraw/zinc/36/48/47/296364847.db2.gz HZKNMCKXZNRHLT-SXLOBPIMSA-N 2 1 317.521 2.903 20 0 DFADMP COc1cc(C)[nH+]c(CN2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000270187703 208251376 /nfs/dbraw/zinc/25/13/76/208251376.db2.gz ARTHIBBWEOBXAI-KRWDZBQOSA-N 2 1 303.450 2.849 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000422997476 296365370 /nfs/dbraw/zinc/36/53/70/296365370.db2.gz BJKNLJGIQWORTJ-FUHWJXTLSA-N 3 1 301.478 2.629 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CCC[C@H]1[NH3+] ZINC000423009388 296367201 /nfs/dbraw/zinc/36/72/01/296367201.db2.gz VLIDSSYPPVABKL-MOPGFXCFSA-N 2 1 313.445 2.881 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CNCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423006555 296366510 /nfs/dbraw/zinc/36/65/10/296366510.db2.gz VTDGRWSYWSYCQU-JYBIWHBTSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423006555 296366512 /nfs/dbraw/zinc/36/65/12/296366512.db2.gz VTDGRWSYWSYCQU-JYBIWHBTSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423006555 296366513 /nfs/dbraw/zinc/36/65/13/296366513.db2.gz VTDGRWSYWSYCQU-JYBIWHBTSA-N 3 1 315.505 2.875 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423008783 296366933 /nfs/dbraw/zinc/36/69/33/296366933.db2.gz AZDRLFIGCFANSG-UAGQMJEPSA-N 2 1 305.441 2.915 20 0 DFADMP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C2 ZINC000423013682 296367811 /nfs/dbraw/zinc/36/78/11/296367811.db2.gz NFPYKNBZPDAILT-VAMGGRTRSA-N 2 1 314.473 2.538 20 0 DFADMP CC(C)CSCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423016871 296368074 /nfs/dbraw/zinc/36/80/74/296368074.db2.gz UVLMLVIBHHDACB-OAGGEKHMSA-N 2 1 300.512 2.512 20 0 DFADMP C[N@@H+](Cc1cccnc1C(F)(F)F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000625374406 399537281 /nfs/dbraw/zinc/53/72/81/399537281.db2.gz PSWKWWAIJUVQEM-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1cccnc1C(F)(F)F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000625374406 399537284 /nfs/dbraw/zinc/53/72/84/399537284.db2.gz PSWKWWAIJUVQEM-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP CS[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000423026882 296369339 /nfs/dbraw/zinc/36/93/39/296369339.db2.gz CMCGELAZORKVPV-APIJFGDWSA-N 2 1 300.512 2.511 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423042883 296371303 /nfs/dbraw/zinc/37/13/03/296371303.db2.gz MNLNRPBCRURTDO-HWWQOWPSSA-N 2 1 311.832 2.788 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423048825 296371989 /nfs/dbraw/zinc/37/19/89/296371989.db2.gz AEWJQHNVHJTUHH-IPMKNSEASA-N 2 1 301.478 2.614 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])C1CC1 ZINC000423048825 296371990 /nfs/dbraw/zinc/37/19/90/296371990.db2.gz AEWJQHNVHJTUHH-IPMKNSEASA-N 2 1 301.478 2.614 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@H](C)[C@H]1CC[NH2+]C1 ZINC000423067133 296374578 /nfs/dbraw/zinc/37/45/78/296374578.db2.gz YOCANYLBCWKOOD-MNOVXSKESA-N 2 1 313.239 2.545 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423064515 296373834 /nfs/dbraw/zinc/37/38/34/296373834.db2.gz RMUBOSMPAGQCLI-XDQVBPFNSA-N 2 1 308.388 2.590 20 0 DFADMP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000423063789 296373953 /nfs/dbraw/zinc/37/39/53/296373953.db2.gz PUWRZNMRBSBRGL-KSZLIROESA-N 2 1 324.509 2.720 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC[NH+](CCC(C)(C)C)CC2)s1 ZINC000347647271 285112445 /nfs/dbraw/zinc/11/24/45/285112445.db2.gz XODFYMYSHRVMAG-UHFFFAOYSA-N 2 1 324.538 2.759 20 0 DFADMP CCC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1nnc2ccccn21 ZINC000347657816 285116627 /nfs/dbraw/zinc/11/66/27/285116627.db2.gz UXHGZHSEGROQNA-HNNXBMFYSA-N 2 1 312.421 2.755 20 0 DFADMP CC[C@@H](NCC[N@H+](CC)CCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423070206 296374796 /nfs/dbraw/zinc/37/47/96/296374796.db2.gz FSNROUOBVVNJIX-ZIAGYGMSSA-N 2 1 309.420 2.771 20 0 DFADMP CC[C@@H](NCC[N@@H+](CC)CCC(F)(F)F)[C@H]1CCCC[NH2+]1 ZINC000423070206 296374798 /nfs/dbraw/zinc/37/47/98/296374798.db2.gz FSNROUOBVVNJIX-ZIAGYGMSSA-N 2 1 309.420 2.771 20 0 DFADMP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423076611 296375484 /nfs/dbraw/zinc/37/54/84/296375484.db2.gz ZLHRWWTUKURUBD-UWVGGRQHSA-N 2 1 313.239 2.716 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423076895 296375551 /nfs/dbraw/zinc/37/55/51/296375551.db2.gz SBHVQSKJWTYARC-QZHFEQFPSA-N 2 1 320.452 2.630 20 0 DFADMP COc1cc(Br)ccc1[C@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423076613 296375683 /nfs/dbraw/zinc/37/56/83/296375683.db2.gz ZLHRWWTUKURUBD-ZJUUUORDSA-N 2 1 313.239 2.716 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cn1 ZINC000423093032 296377696 /nfs/dbraw/zinc/37/76/96/296377696.db2.gz FJSAUPCZYXLUKY-KYTZWMPUSA-N 2 1 310.239 2.778 20 0 DFADMP Fc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423098528 296378112 /nfs/dbraw/zinc/37/81/12/296378112.db2.gz SCLLZWYREVPKPZ-NAHQNRHBSA-N 2 1 318.436 2.818 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423103756 296378502 /nfs/dbraw/zinc/37/85/02/296378502.db2.gz GLXJDBNWRYXTNW-PWBULWKKSA-N 2 1 310.388 2.995 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624120048 399558999 /nfs/dbraw/zinc/55/89/99/399558999.db2.gz QKTPLWNSEULUJI-CABCVRRESA-N 2 1 321.440 2.864 20 0 DFADMP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423107774 296379056 /nfs/dbraw/zinc/37/90/56/296379056.db2.gz FDKMGEPTGYKNJZ-GBJTYRQASA-N 2 1 302.409 2.559 20 0 DFADMP C[N@H+]1CCCC[C@@H](CN[C@@H](c2ccccc2)c2cncnc2)C1 ZINC000624122703 399560446 /nfs/dbraw/zinc/56/04/46/399560446.db2.gz ZAZRCPKRHKSNJQ-LPHOPBHVSA-N 2 1 310.445 2.888 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124151 399561962 /nfs/dbraw/zinc/56/19/62/399561962.db2.gz YPOHPLVPXZGGKJ-CHWSQXEVSA-N 2 1 303.406 2.916 20 0 DFADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000602765933 399562044 /nfs/dbraw/zinc/56/20/44/399562044.db2.gz MUPMXZGYLGLFCZ-ZDUSSCGKSA-N 2 1 323.437 2.576 20 0 DFADMP OC[C@@H]1CCC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423124208 296381589 /nfs/dbraw/zinc/38/15/89/296381589.db2.gz MGJPGAUXTKCUCB-NBMJBFSESA-N 2 1 302.462 2.868 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccccc1Cl)c1c[nH+]ccc1N ZINC000423122938 296381190 /nfs/dbraw/zinc/38/11/90/296381190.db2.gz KHTSXCMTWWVIST-NEPJUHHUSA-N 2 1 305.809 2.574 20 0 DFADMP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423130706 296382142 /nfs/dbraw/zinc/38/21/42/296382142.db2.gz NFSHTBDPWGOSTQ-QRQLOZEOSA-N 2 1 318.436 2.950 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423131595 296382179 /nfs/dbraw/zinc/38/21/79/296382179.db2.gz AUDLIACIHAOFAV-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@@H]1CCCC[NH2+]1 ZINC000423125422 296381669 /nfs/dbraw/zinc/38/16/69/296381669.db2.gz ICCSMEJHIOFDBJ-AAEUAGOBSA-N 2 1 301.356 2.763 20 0 DFADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423128717 296381823 /nfs/dbraw/zinc/38/18/23/296381823.db2.gz DGIQZUKYNGQULJ-IUCAKERBSA-N 2 1 301.203 2.847 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)s1 ZINC000423137403 296382887 /nfs/dbraw/zinc/38/28/87/296382887.db2.gz WLKVQLKAZDRPKQ-KBPBESRZSA-N 2 1 302.447 2.938 20 0 DFADMP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423130705 296382370 /nfs/dbraw/zinc/38/23/70/296382370.db2.gz NFSHTBDPWGOSTQ-BHIYHBOVSA-N 2 1 318.436 2.950 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158473650 197276593 /nfs/dbraw/zinc/27/65/93/197276593.db2.gz KTBNAJJIGHLJBX-UKRRQHHQSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158473650 197276595 /nfs/dbraw/zinc/27/65/95/197276595.db2.gz KTBNAJJIGHLJBX-UKRRQHHQSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158473650 197276597 /nfs/dbraw/zinc/27/65/97/197276597.db2.gz KTBNAJJIGHLJBX-UKRRQHHQSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158473650 197276599 /nfs/dbraw/zinc/27/65/99/197276599.db2.gz KTBNAJJIGHLJBX-UKRRQHHQSA-N 2 1 320.433 2.545 20 0 DFADMP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccs1 ZINC000158453165 197273806 /nfs/dbraw/zinc/27/38/06/197273806.db2.gz FINSKHHWRVHIFV-CQSZACIVSA-N 2 1 316.474 2.746 20 0 DFADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423144534 296384172 /nfs/dbraw/zinc/38/41/72/296384172.db2.gz HJKLZNKIRHUAKN-ZDUSSCGKSA-N 2 1 304.825 2.757 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728302 285148075 /nfs/dbraw/zinc/14/80/75/285148075.db2.gz VFOYZVCZKOPSKL-VQIMIIECSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728302 285148077 /nfs/dbraw/zinc/14/80/77/285148077.db2.gz VFOYZVCZKOPSKL-VQIMIIECSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)[C@@H]1CC[NH2+]C1 ZINC000423146791 296384553 /nfs/dbraw/zinc/38/45/53/296384553.db2.gz QKPXPGFIOYGKIR-CHWSQXEVSA-N 2 1 304.825 2.613 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CC34CCOCC4)CC[NH2+]2)cc1 ZINC000423146827 296384771 /nfs/dbraw/zinc/38/47/71/296384771.db2.gz BEIKRVDGIHYTHR-BZSNNMDCSA-N 2 1 300.446 2.886 20 0 DFADMP CCC(=O)CCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347734769 285151551 /nfs/dbraw/zinc/15/15/51/285151551.db2.gz HFSZTFZEHSPCSH-CALCHBBNSA-N 2 1 324.509 2.957 20 0 DFADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@]4(CCOC4)C3)CCN2)cc1 ZINC000423154830 296385910 /nfs/dbraw/zinc/38/59/10/296385910.db2.gz KBGAGFSDRBKLTE-QYZOEREBSA-N 2 1 300.446 2.982 20 0 DFADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@]4(CCOC4)C3)CC[NH2+]2)cc1 ZINC000423154830 296385912 /nfs/dbraw/zinc/38/59/12/296385912.db2.gz KBGAGFSDRBKLTE-QYZOEREBSA-N 2 1 300.446 2.982 20 0 DFADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@]4(CCOC4)C3)CC[NH2+]2)cc1 ZINC000423154830 296385913 /nfs/dbraw/zinc/38/59/13/296385913.db2.gz KBGAGFSDRBKLTE-QYZOEREBSA-N 2 1 300.446 2.982 20 0 DFADMP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423159336 296386476 /nfs/dbraw/zinc/38/64/76/296386476.db2.gz XZXRWGIUAUIKNS-ZDUSSCGKSA-N 2 1 313.214 2.917 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000423172995 296387917 /nfs/dbraw/zinc/38/79/17/296387917.db2.gz WJPRCESGBPCOSD-QRQLOZEOSA-N 2 1 301.478 2.801 20 0 DFADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423172995 296387918 /nfs/dbraw/zinc/38/79/18/296387918.db2.gz WJPRCESGBPCOSD-QRQLOZEOSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423172995 296387920 /nfs/dbraw/zinc/38/79/20/296387920.db2.gz WJPRCESGBPCOSD-QRQLOZEOSA-N 3 1 301.478 2.801 20 0 DFADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423182791 296389155 /nfs/dbraw/zinc/38/91/55/296389155.db2.gz FMQOVTCSHNUWDL-ZWKOTPCHSA-N 2 1 319.493 2.991 20 0 DFADMP O[C@@H]1[C@@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCCC1(F)F ZINC000423176197 296388247 /nfs/dbraw/zinc/38/82/47/296388247.db2.gz FQDZTEKDYKANSU-YHUYYLMFSA-N 2 1 310.388 2.618 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccccc1N(C)C ZINC000423180343 296388874 /nfs/dbraw/zinc/38/88/74/296388874.db2.gz AUFXJNQXNCOGOL-MRXNPFEDSA-N 2 1 312.461 2.978 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)c2ccccc21 ZINC000423181649 296389325 /nfs/dbraw/zinc/38/93/25/296389325.db2.gz LHVJBYMECCBQLF-VHSSKADRSA-N 2 1 300.377 2.636 20 0 DFADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Br)c(F)c1 ZINC000423185208 296389678 /nfs/dbraw/zinc/38/96/78/296389678.db2.gz MZEKOTAIHDSFFL-VIFPVBQESA-N 2 1 301.203 2.991 20 0 DFADMP Oc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423184490 296389758 /nfs/dbraw/zinc/38/97/58/296389758.db2.gz IDRYENYKSMVTPJ-SFHVURJKSA-N 2 1 311.429 2.934 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@H]2CCCC23CCOCC3)c1 ZINC000423183757 296389777 /nfs/dbraw/zinc/38/97/77/296389777.db2.gz GYMQLOYOXRQNLI-KRWDZBQOSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2c(c1)OCO2 ZINC000423190248 296390414 /nfs/dbraw/zinc/39/04/14/296390414.db2.gz QSUDBARONVJSIC-AWEZNQCLSA-N 2 1 313.401 2.641 20 0 DFADMP COc1cccc(N2CC[C@@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000157474854 197190461 /nfs/dbraw/zinc/19/04/61/197190461.db2.gz QLHMAVREELRQGM-IXDOHACOSA-N 2 1 317.477 2.594 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423210973 296392870 /nfs/dbraw/zinc/39/28/70/296392870.db2.gz KJISWYOGAVINEH-DOMZBBRYSA-N 2 1 316.367 2.982 20 0 DFADMP CC[NH+]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000157428055 197186568 /nfs/dbraw/zinc/18/65/68/197186568.db2.gz NQMNRCGRZXIAOY-UHFFFAOYSA-N 2 1 303.494 2.782 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214724 296393152 /nfs/dbraw/zinc/39/31/52/296393152.db2.gz PJOHVOZFSZCNCO-WTGUMLROSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214724 296393153 /nfs/dbraw/zinc/39/31/53/296393153.db2.gz PJOHVOZFSZCNCO-WTGUMLROSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214724 296393154 /nfs/dbraw/zinc/39/31/54/296393154.db2.gz PJOHVOZFSZCNCO-WTGUMLROSA-N 3 1 313.489 2.771 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423219284 296393587 /nfs/dbraw/zinc/39/35/87/296393587.db2.gz SZNSKXHWTIMSIP-VNHYZAJKSA-N 2 1 319.449 2.692 20 0 DFADMP CC[NH2+]CC[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423229039 296394707 /nfs/dbraw/zinc/39/47/07/296394707.db2.gz AAVNFVJAHUGGFJ-HNNXBMFYSA-N 2 1 311.267 2.969 20 0 DFADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423227135 296394591 /nfs/dbraw/zinc/39/45/91/296394591.db2.gz UPCDLASCNCQYSY-GDAAHCPNSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423227135 296394592 /nfs/dbraw/zinc/39/45/92/296394592.db2.gz UPCDLASCNCQYSY-GDAAHCPNSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423227135 296394593 /nfs/dbraw/zinc/39/45/93/296394593.db2.gz UPCDLASCNCQYSY-GDAAHCPNSA-N 3 1 301.478 2.757 20 0 DFADMP CC[NH+]1CCC(CCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000174106556 285184911 /nfs/dbraw/zinc/18/49/11/285184911.db2.gz YCPWNIKVZQNOHC-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC000347812907 285186130 /nfs/dbraw/zinc/18/61/30/285186130.db2.gz JQADAMDLRDFTSA-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000347812907 285186134 /nfs/dbraw/zinc/18/61/34/285186134.db2.gz JQADAMDLRDFTSA-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000347812907 285186139 /nfs/dbraw/zinc/18/61/39/285186139.db2.gz JQADAMDLRDFTSA-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP Brc1cccc2c1C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000423242739 296396187 /nfs/dbraw/zinc/39/61/87/296396187.db2.gz VUMHVGYAHGFOBF-STQMWFEESA-N 2 1 309.251 2.648 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423246636 296396657 /nfs/dbraw/zinc/39/66/57/296396657.db2.gz ZOVLMESHCHBWFD-NMLBUPMWSA-N 2 1 313.489 2.629 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423257763 296397408 /nfs/dbraw/zinc/39/74/08/296397408.db2.gz AESJLHYAXJAHQV-HNNXBMFYSA-N 2 1 311.420 2.897 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(F)c(Br)c1 ZINC000423274658 296399619 /nfs/dbraw/zinc/39/96/19/296399619.db2.gz KRAXSXIWZRALFR-OQPBUACISA-N 2 1 301.203 2.976 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423281143 296400699 /nfs/dbraw/zinc/40/06/99/296400699.db2.gz UYMJITJMQCPNMX-LXZKKBNFSA-N 2 1 313.449 2.662 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC([NH3+])(CC)CC)[C@H]1Oc1ccccc1 ZINC000423281837 296400771 /nfs/dbraw/zinc/40/07/71/296400771.db2.gz BZQRTTMGUOWWRV-GVDBMIGSSA-N 2 1 306.450 2.719 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C[C@@H]1c1ccccc1 ZINC000423276843 296399759 /nfs/dbraw/zinc/39/97/59/296399759.db2.gz NKAKYCXZVMLDLW-INDMIFKZSA-N 2 1 301.478 2.929 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@@H]1c1ccccc1 ZINC000423276843 296399760 /nfs/dbraw/zinc/39/97/60/296399760.db2.gz NKAKYCXZVMLDLW-INDMIFKZSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@@H]1CC[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000629411987 399596455 /nfs/dbraw/zinc/59/64/55/399596455.db2.gz JKSMMBIKINGWRT-AEFFLSMTSA-N 2 1 303.494 2.875 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423286323 296401111 /nfs/dbraw/zinc/40/11/11/296401111.db2.gz GNXWYQNFBYCMCU-GFCCVEGCSA-N 2 1 310.438 2.881 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H](C)C1 ZINC000156159237 197090204 /nfs/dbraw/zinc/09/02/04/197090204.db2.gz SAUKSCYLXPYVBL-CABCVRRESA-N 2 1 300.450 2.815 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155281859 197040028 /nfs/dbraw/zinc/04/00/28/197040028.db2.gz NPHCKWLKEVEOIT-RKVPGOIHSA-N 2 1 315.461 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155281859 197040030 /nfs/dbraw/zinc/04/00/30/197040030.db2.gz NPHCKWLKEVEOIT-RKVPGOIHSA-N 2 1 315.461 2.632 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CCOCC1 ZINC000423365605 296408983 /nfs/dbraw/zinc/40/89/83/296408983.db2.gz KOKVRYNKCQSQCQ-WBHUJUFNSA-N 2 1 324.415 2.815 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1OC ZINC000423384958 296411480 /nfs/dbraw/zinc/41/14/80/296411480.db2.gz QQNQZJGHMVUTMG-SGMGOOAPSA-N 2 1 308.422 2.504 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@]1(C)C(C)C ZINC000356445176 285247767 /nfs/dbraw/zinc/24/77/67/285247767.db2.gz JBTQLKSZJNQHFW-ZIFCJYIRSA-N 2 1 323.525 2.543 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccn1 ZINC000347923710 285248012 /nfs/dbraw/zinc/24/80/12/285248012.db2.gz DEXTWGOTMFCCAG-HOCLYGCPSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000347923710 285248014 /nfs/dbraw/zinc/24/80/14/285248014.db2.gz DEXTWGOTMFCCAG-HOCLYGCPSA-N 2 1 303.450 2.833 20 0 DFADMP CCCCN(CC)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928904 285251937 /nfs/dbraw/zinc/25/19/37/285251937.db2.gz JLKSWAHQMDVLDQ-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCCCN(CC)C(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347928904 285251939 /nfs/dbraw/zinc/25/19/39/285251939.db2.gz JLKSWAHQMDVLDQ-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]([NH2+]CCC(=O)N1CCC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934561 285255171 /nfs/dbraw/zinc/25/51/71/285255171.db2.gz OYBWJHCPOCUKIY-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000423480033 296420415 /nfs/dbraw/zinc/42/04/15/296420415.db2.gz OPQNHSBYGYRLER-BMFZPTHFSA-N 2 1 309.404 2.942 20 0 DFADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423513402 296424713 /nfs/dbraw/zinc/42/47/13/296424713.db2.gz LIICZYQQXPVCKS-MAUKXSAKSA-N 2 1 306.450 2.751 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(OC(F)(F)F)c1 ZINC000423527369 296426646 /nfs/dbraw/zinc/42/66/46/296426646.db2.gz VSPGODHQVASZNJ-FZMZJTMJSA-N 2 1 318.339 2.614 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C1=CCCCCC1 ZINC000353711683 285275676 /nfs/dbraw/zinc/27/56/76/285275676.db2.gz CXFKOSUPFZQRTJ-SFHVURJKSA-N 2 1 321.509 2.751 20 0 DFADMP C[NH+](C)C1CC[NH+](C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000347970202 285275810 /nfs/dbraw/zinc/27/58/10/285275810.db2.gz MKGHENWJOCMLJY-HXUWFJFHSA-N 2 1 312.457 2.769 20 0 DFADMP C[C@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120675572 195213932 /nfs/dbraw/zinc/21/39/32/195213932.db2.gz ZOJGLONJNCPBTL-FGTMMUONSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H](C(=O)NCCCC[NH+]1CCC(C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000120675743 195214744 /nfs/dbraw/zinc/21/47/44/195214744.db2.gz ZOJGLONJNCPBTL-KSZLIROESA-N 2 1 323.525 2.876 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000271576718 209026509 /nfs/dbraw/zinc/02/65/09/209026509.db2.gz WMILDRSYZXHZBE-KNXALSJPSA-N 2 1 314.832 2.832 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291226193 285289874 /nfs/dbraw/zinc/28/98/74/285289874.db2.gz NVFLBYODCJMKMV-CRAIPNDOSA-N 2 1 318.461 2.596 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccnc1Cl ZINC000289519413 221037291 /nfs/dbraw/zinc/03/72/91/221037291.db2.gz VEIKJHWFSIHLNP-MRXNPFEDSA-N 2 1 324.900 2.583 20 0 DFADMP CC1(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000289717640 221176103 /nfs/dbraw/zinc/17/61/03/221176103.db2.gz UOVFDLMOQORUKR-GOSISDBHSA-N 2 1 302.462 2.915 20 0 DFADMP CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000078692942 542482833 /nfs/dbraw/zinc/48/28/33/542482833.db2.gz JZYINQZVQYJOLG-XYJFISCASA-N 2 1 317.477 2.621 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000289769817 221214940 /nfs/dbraw/zinc/21/49/40/221214940.db2.gz MBYHAPRZLJWEOR-MRXNPFEDSA-N 2 1 304.482 2.760 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000289769817 221214943 /nfs/dbraw/zinc/21/49/43/221214943.db2.gz MBYHAPRZLJWEOR-MRXNPFEDSA-N 2 1 304.482 2.760 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)C[C@H]12 ZINC000629520213 399633735 /nfs/dbraw/zinc/63/37/35/399633735.db2.gz UOZDJZWDIWJSLR-HZUKXOBISA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)C[C@H]12 ZINC000629520213 399633743 /nfs/dbraw/zinc/63/37/43/399633743.db2.gz UOZDJZWDIWJSLR-HZUKXOBISA-N 2 1 301.365 2.650 20 0 DFADMP CCO[C@@H](C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000629519170 399633804 /nfs/dbraw/zinc/63/38/04/399633804.db2.gz QLDCJFBCPRAPOF-MOPGFXCFSA-N 2 1 317.477 2.841 20 0 DFADMP CCO[C@@H](C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000629519170 399633807 /nfs/dbraw/zinc/63/38/07/399633807.db2.gz QLDCJFBCPRAPOF-MOPGFXCFSA-N 2 1 317.477 2.841 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000629521910 399634872 /nfs/dbraw/zinc/63/48/72/399634872.db2.gz SZJKFWCXQZSPGF-NSHDSACASA-N 2 1 318.339 2.744 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000289895607 221299249 /nfs/dbraw/zinc/29/92/49/221299249.db2.gz YCDRLHHBDYLNGG-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP COc1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc(OC)c1O ZINC000289913872 221314151 /nfs/dbraw/zinc/31/41/51/221314151.db2.gz YCSMXRCNWWKHDE-UHFFFAOYSA-N 2 1 322.449 2.621 20 0 DFADMP OCc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532032 399637918 /nfs/dbraw/zinc/63/79/18/399637918.db2.gz JCAQWQBWVRHTLJ-CVEARBPZSA-N 2 1 306.425 2.530 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289991328 221365120 /nfs/dbraw/zinc/36/51/20/221365120.db2.gz YIRSDKJIAOGKJA-GHMZBOCLSA-N 2 1 300.244 2.835 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc(N2CCCC2)n1 ZINC000290004151 221373392 /nfs/dbraw/zinc/37/33/92/221373392.db2.gz ZHVYFBZWGJRLPP-UHFFFAOYSA-N 2 1 316.493 2.953 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(O)ccc3Cl)C2)C1 ZINC000629534856 399639010 /nfs/dbraw/zinc/63/90/10/399639010.db2.gz BQPZQADKEGYXDL-DXCKQFNASA-N 2 1 324.852 2.764 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)c(C)c1OC ZINC000629541741 399641727 /nfs/dbraw/zinc/64/17/27/399641727.db2.gz VBSZHSSCJXNDON-WWGRRREGSA-N 2 1 306.450 2.673 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000624357671 399653359 /nfs/dbraw/zinc/65/33/59/399653359.db2.gz AVGTUMJGRHBKGD-INIZCTEOSA-N 2 1 307.401 2.686 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CC2 ZINC000629575587 399653671 /nfs/dbraw/zinc/65/36/71/399653671.db2.gz JKNHGYBLRMUMSL-PKOBYXMFSA-N 2 1 302.462 2.844 20 0 DFADMP Cc1nc(C[N@H+](C)CCOCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000629578638 399653833 /nfs/dbraw/zinc/65/38/33/399653833.db2.gz URIZPZBFAQJPDD-UHFFFAOYSA-N 2 1 323.824 2.711 20 0 DFADMP Cc1nc(C[N@@H+](C)CCOCC[NH3+])oc1-c1ccc(Cl)cc1 ZINC000629578638 399653839 /nfs/dbraw/zinc/65/38/39/399653839.db2.gz URIZPZBFAQJPDD-UHFFFAOYSA-N 2 1 323.824 2.711 20 0 DFADMP C[N@@H+](CCCSc1ccccc1Cl)CCOCC[NH3+] ZINC000629579589 399654044 /nfs/dbraw/zinc/65/40/44/399654044.db2.gz UKUYNYPUTHQEFD-UHFFFAOYSA-N 2 1 302.871 2.729 20 0 DFADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629576377 399654150 /nfs/dbraw/zinc/65/41/50/399654150.db2.gz UIMOQFAMMZKVNX-IAGOWNOFSA-N 2 1 318.436 2.915 20 0 DFADMP Fc1ccc2c(c1)OCC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000629595021 399658762 /nfs/dbraw/zinc/65/87/62/399658762.db2.gz IMFWWLSKXBSYOK-UHFFFAOYSA-N 2 1 312.388 2.866 20 0 DFADMP Fc1ccc2c(c1)OCC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000629595021 399658765 /nfs/dbraw/zinc/65/87/65/399658765.db2.gz IMFWWLSKXBSYOK-UHFFFAOYSA-N 2 1 312.388 2.866 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000612471131 399659312 /nfs/dbraw/zinc/65/93/12/399659312.db2.gz UBJVEJPOEGDBCE-INIZCTEOSA-N 2 1 321.509 2.584 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2Cl)C1 ZINC000629549102 399643516 /nfs/dbraw/zinc/64/35/16/399643516.db2.gz QDWUYVSBPHUZHF-XYPHTWIQSA-N 2 1 324.852 2.906 20 0 DFADMP CCc1ccc([C@@H](CC)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000629549213 399643615 /nfs/dbraw/zinc/64/36/15/399643615.db2.gz SUYDZMMETWEKSX-QZTJIDSGSA-N 2 1 313.449 2.616 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)ccc1OC(F)F ZINC000629567543 399652119 /nfs/dbraw/zinc/65/21/19/399652119.db2.gz PFMXWIQSEKYPGI-UHFFFAOYSA-N 2 1 322.783 2.609 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000629565722 399652570 /nfs/dbraw/zinc/65/25/70/399652570.db2.gz GHASUDBKCXJXAD-UHFFFAOYSA-N 2 1 321.852 2.864 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1nc2ccccc2c(C)c1Cl ZINC000629565722 399652572 /nfs/dbraw/zinc/65/25/72/399652572.db2.gz GHASUDBKCXJXAD-UHFFFAOYSA-N 2 1 321.852 2.864 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567662 399652625 /nfs/dbraw/zinc/65/26/25/399652625.db2.gz PRTPUSATKXQICA-ZIAGYGMSSA-N 2 1 316.367 2.963 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567662 399652627 /nfs/dbraw/zinc/65/26/27/399652627.db2.gz PRTPUSATKXQICA-ZIAGYGMSSA-N 2 1 316.367 2.963 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C ZINC000629656799 399677662 /nfs/dbraw/zinc/67/76/62/399677662.db2.gz QYAMAOWBDJOFHJ-UONOGXRCSA-N 2 1 316.367 2.963 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)ccc1C ZINC000629656799 399677664 /nfs/dbraw/zinc/67/76/64/399677664.db2.gz QYAMAOWBDJOFHJ-UONOGXRCSA-N 2 1 316.367 2.963 20 0 DFADMP COCCCOc1cccc(C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629663572 399680755 /nfs/dbraw/zinc/68/07/55/399680755.db2.gz GXWWKRNKYAPWIC-KDURUIRLSA-N 2 1 318.461 2.533 20 0 DFADMP COCCCOc1cccc(C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629663572 399680763 /nfs/dbraw/zinc/68/07/63/399680763.db2.gz GXWWKRNKYAPWIC-KDURUIRLSA-N 2 1 318.461 2.533 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1cc(Cl)ccc1OCC1CC1 ZINC000629663361 399681264 /nfs/dbraw/zinc/68/12/64/399681264.db2.gz IPAXLSRDYGTQRA-UHFFFAOYSA-N 2 1 312.841 2.536 20 0 DFADMP c1ccc2c(c1)C=C(C[NH2+]CCC[NH2+]Cc1cccnc1)CO2 ZINC000629648364 399674967 /nfs/dbraw/zinc/67/49/67/399674967.db2.gz UNEWDMPIQROGGI-UHFFFAOYSA-N 2 1 309.413 2.627 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000629736236 399709243 /nfs/dbraw/zinc/70/92/43/399709243.db2.gz MDDFKGYVPGVXOH-LEWJYISDSA-N 2 1 321.468 2.916 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000294973130 224349720 /nfs/dbraw/zinc/34/97/20/224349720.db2.gz KBXKKDXRLKYTQI-VQIMIIECSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000090405913 542536044 /nfs/dbraw/zinc/53/60/44/542536044.db2.gz CYYUKFPANFZEOF-MJBXVCDLSA-N 2 1 311.495 2.992 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@@H]32)cc1 ZINC000091978718 542543502 /nfs/dbraw/zinc/54/35/02/542543502.db2.gz ZXFHMWXUQVLZJH-RBUKOAKNSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@H]1SCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093499758 542554176 /nfs/dbraw/zinc/55/41/76/542554176.db2.gz YBDSGEBEDZPTTD-LSDHHAIUSA-N 2 1 308.491 2.953 20 0 DFADMP CCC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507954 399719844 /nfs/dbraw/zinc/71/98/44/399719844.db2.gz PNYCXBKDWLOQRK-YESZJQIVSA-N 2 1 311.514 2.591 20 0 DFADMP CCC[C@H]1CCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507954 399719849 /nfs/dbraw/zinc/71/98/49/399719849.db2.gz PNYCXBKDWLOQRK-YESZJQIVSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)CC1(C)CCCCC1 ZINC000617506617 399720787 /nfs/dbraw/zinc/72/07/87/399720787.db2.gz TYOSIFRFYFGURG-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)CC1(C)CCCCC1 ZINC000617506617 399720790 /nfs/dbraw/zinc/72/07/90/399720790.db2.gz TYOSIFRFYFGURG-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000120968245 195273558 /nfs/dbraw/zinc/27/35/58/195273558.db2.gz WAVREDMWFRYEQU-GFCCVEGCSA-N 2 1 302.340 2.811 20 0 DFADMP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CC[NH+](C)C1 ZINC000120968245 195273560 /nfs/dbraw/zinc/27/35/60/195273560.db2.gz WAVREDMWFRYEQU-GFCCVEGCSA-N 2 1 302.340 2.811 20 0 DFADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000120968245 195273563 /nfs/dbraw/zinc/27/35/63/195273563.db2.gz WAVREDMWFRYEQU-GFCCVEGCSA-N 2 1 302.340 2.811 20 0 DFADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120968245 195273566 /nfs/dbraw/zinc/27/35/66/195273566.db2.gz WAVREDMWFRYEQU-GFCCVEGCSA-N 2 1 302.340 2.811 20 0 DFADMP Cc1cc(NC[C@@H](C)[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000121103942 195294634 /nfs/dbraw/zinc/29/46/34/195294634.db2.gz FRQQYJRVWWPVHG-CYBMUJFWSA-N 2 1 303.381 2.815 20 0 DFADMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000121109994 195295381 /nfs/dbraw/zinc/29/53/81/195295381.db2.gz BTOKLHBFDWFPGI-MRXNPFEDSA-N 2 1 304.478 2.828 20 0 DFADMP Cc1ccn2c(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cnc2c1 ZINC000121774116 195345247 /nfs/dbraw/zinc/34/52/47/195345247.db2.gz POZMVIALQWFNMK-UHFFFAOYSA-N 2 1 323.444 2.831 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000121949816 195379543 /nfs/dbraw/zinc/37/95/43/195379543.db2.gz GLPLAFYKPZIJHY-ZACQAIPSSA-N 2 1 303.450 2.909 20 0 DFADMP Cc1cc(NC(=O)N[C@H](C)C[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000297028272 291957584 /nfs/dbraw/zinc/95/75/84/291957584.db2.gz QVXLQYIRKPLTJV-CQSZACIVSA-N 2 1 315.421 2.639 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348126882 285367931 /nfs/dbraw/zinc/36/79/31/285367931.db2.gz QIOWXTZDWFJKON-RAIGVLPGSA-N 2 1 305.344 2.527 20 0 DFADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1 ZINC000127905869 195920172 /nfs/dbraw/zinc/92/01/72/195920172.db2.gz RKOHIHPUWOVCED-MAUKXSAKSA-N 2 1 308.441 2.756 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062513 399741297 /nfs/dbraw/zinc/74/12/97/399741297.db2.gz VLDPCBHQNPSRRY-INIZCTEOSA-N 2 1 319.493 2.827 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NCC(C)C ZINC000626062460 399741744 /nfs/dbraw/zinc/74/17/44/399741744.db2.gz SVQBPUAIPLRBQY-MRXNPFEDSA-N 2 1 319.493 2.731 20 0 DFADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@@H+]1Cc1ccccc1 ZINC000302151289 533662944 /nfs/dbraw/zinc/66/29/44/533662944.db2.gz LSJNXWSIPDTJKK-ZBFHGGJFSA-N 2 1 324.428 2.646 20 0 DFADMP C[C@@H]1C[C@@H](Nc2cc[nH+]cc2C(N)=O)CC[N@H+]1Cc1ccccc1 ZINC000302151289 533662952 /nfs/dbraw/zinc/66/29/52/533662952.db2.gz LSJNXWSIPDTJKK-ZBFHGGJFSA-N 2 1 324.428 2.646 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2cncnc2)CC[N@H+]1Cc1ccccc1 ZINC000124054358 542596003 /nfs/dbraw/zinc/59/60/03/542596003.db2.gz NXUACOVWZWKTGW-VQIMIIECSA-N 2 1 310.445 2.962 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621329582 399756935 /nfs/dbraw/zinc/75/69/35/399756935.db2.gz IQDLZLMGYDPXKA-SFHVURJKSA-N 2 1 312.461 2.557 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621329582 399756938 /nfs/dbraw/zinc/75/69/38/399756938.db2.gz IQDLZLMGYDPXKA-SFHVURJKSA-N 2 1 312.461 2.557 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000340232281 131239175 /nfs/dbraw/zinc/23/91/75/131239175.db2.gz QFYJKCGXZXOGGY-SUMDDJOVSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000340232281 131239177 /nfs/dbraw/zinc/23/91/77/131239177.db2.gz QFYJKCGXZXOGGY-SUMDDJOVSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000340232281 131239178 /nfs/dbraw/zinc/23/91/78/131239178.db2.gz QFYJKCGXZXOGGY-SUMDDJOVSA-N 2 1 301.478 2.894 20 0 DFADMP COc1ccncc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000287812517 131301482 /nfs/dbraw/zinc/30/14/82/131301482.db2.gz PGFAXSVTJJJSPQ-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP CCC[NH+]1CCC(Nc2ccc(N3CCOCC3)[nH+]c2C)CC1 ZINC000154370344 542688965 /nfs/dbraw/zinc/68/89/65/542688965.db2.gz LWTAOFFCJHGNMJ-UHFFFAOYSA-N 2 1 318.465 2.513 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261961440 285501009 /nfs/dbraw/zinc/50/10/09/285501009.db2.gz PNMWJQODPZSTJJ-VBSBHUPXSA-N 2 1 314.473 2.853 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000165946324 542750273 /nfs/dbraw/zinc/75/02/73/542750273.db2.gz CSHPIBCXRORVCX-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000165946324 542750278 /nfs/dbraw/zinc/75/02/78/542750278.db2.gz CSHPIBCXRORVCX-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000165946324 542750281 /nfs/dbraw/zinc/75/02/81/542750281.db2.gz CSHPIBCXRORVCX-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP C(N[C@H]1CC[N@H+]2CCC[C@@H]2C1)C1([NH+]2CCSCC2)CCCC1 ZINC000166142121 542750594 /nfs/dbraw/zinc/75/05/94/542750594.db2.gz VAOXKUCJLTZXDL-DLBZAZTESA-N 2 1 323.550 2.564 20 0 DFADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000166142121 542750597 /nfs/dbraw/zinc/75/05/97/542750597.db2.gz VAOXKUCJLTZXDL-DLBZAZTESA-N 2 1 323.550 2.564 20 0 DFADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000166142121 542750600 /nfs/dbraw/zinc/75/06/00/542750600.db2.gz VAOXKUCJLTZXDL-DLBZAZTESA-N 2 1 323.550 2.564 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000166280889 542751674 /nfs/dbraw/zinc/75/16/74/542751674.db2.gz DXSNQMMYFIVPFS-MJGOQNOKSA-N 2 1 302.462 2.809 20 0 DFADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166292452 542751681 /nfs/dbraw/zinc/75/16/81/542751681.db2.gz SDVYKOSOGNAZHB-VHDGCEQUSA-N 2 1 310.388 2.949 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166720707 542752059 /nfs/dbraw/zinc/75/20/59/542752059.db2.gz GFCQQTNPFOFRMU-OWCLPIDISA-N 2 1 304.434 2.679 20 0 DFADMP Cc1cc(NC(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cn2cc[nH+]c12 ZINC000632950074 399805135 /nfs/dbraw/zinc/80/51/35/399805135.db2.gz WIUSWFQMMWCVNK-ZDUSSCGKSA-N 2 1 315.421 2.542 20 0 DFADMP CCc1cc(NCc2ccccc2OCC[NH+](C)C)nc(C)[nH+]1 ZINC000180431267 542784328 /nfs/dbraw/zinc/78/43/28/542784328.db2.gz DQDNGIKODQBQAT-UHFFFAOYSA-N 2 1 314.433 2.900 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2c[nH]nc2C)[C@H](C)C1 ZINC000245882425 542918061 /nfs/dbraw/zinc/91/80/61/542918061.db2.gz BGKLGOIHXNFPHI-CPUCHLNUSA-N 2 1 308.470 2.506 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2c[nH]nc2C)[C@H](C)C1 ZINC000245882425 542918065 /nfs/dbraw/zinc/91/80/65/542918065.db2.gz BGKLGOIHXNFPHI-CPUCHLNUSA-N 2 1 308.470 2.506 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251895660 542946637 /nfs/dbraw/zinc/94/66/37/542946637.db2.gz WKBNPGFBEJZMNT-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C3CC[NH+](CCOC(C)C)CC3)C[C@H]2C1 ZINC000424313616 296501250 /nfs/dbraw/zinc/50/12/50/296501250.db2.gz NWMIJICXNQYLSB-AMBYYYRHSA-N 2 1 324.509 2.669 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1)C(C)C ZINC000275593295 542975586 /nfs/dbraw/zinc/97/55/86/542975586.db2.gz FTVCGEAMQLNNQK-QZTJIDSGSA-N 2 1 317.477 2.917 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000275805656 542976295 /nfs/dbraw/zinc/97/62/95/542976295.db2.gz UHFOFOPVIREHFW-ZWKOTPCHSA-N 2 1 317.477 2.918 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000280269219 542987612 /nfs/dbraw/zinc/98/76/12/542987612.db2.gz XUNXTOHIUDBRBZ-QGZVFWFLSA-N 2 1 316.445 2.908 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1OC ZINC000424379987 296505884 /nfs/dbraw/zinc/50/58/84/296505884.db2.gz WMUMIWISIIDQNE-MRVWCRGKSA-N 2 1 308.422 2.633 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000293774007 543021957 /nfs/dbraw/zinc/02/19/57/543021957.db2.gz SKJKDWJGPQGKJM-GXTWGEPZSA-N 2 1 315.383 2.963 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000295087450 543029877 /nfs/dbraw/zinc/02/98/77/543029877.db2.gz RTWQOPSIRVKHCF-MOPGFXCFSA-N 2 1 304.478 2.908 20 0 DFADMP COCC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309982706 543066680 /nfs/dbraw/zinc/06/66/80/543066680.db2.gz VXLXDSXMBLSBMH-YTQUADARSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309982706 543066684 /nfs/dbraw/zinc/06/66/84/543066684.db2.gz VXLXDSXMBLSBMH-YTQUADARSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309982706 543066687 /nfs/dbraw/zinc/06/66/87/543066687.db2.gz VXLXDSXMBLSBMH-YTQUADARSA-N 2 1 302.462 2.865 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000321386622 543085334 /nfs/dbraw/zinc/08/53/34/543085334.db2.gz FORDPNFWZNLZQD-UHFFFAOYSA-N 2 1 314.433 2.867 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000322072423 543087938 /nfs/dbraw/zinc/08/79/38/543087938.db2.gz FUZHRGKWNBGDJB-DOTOQJQBSA-N 2 1 318.461 2.976 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000322072423 543087940 /nfs/dbraw/zinc/08/79/40/543087940.db2.gz FUZHRGKWNBGDJB-DOTOQJQBSA-N 2 1 318.461 2.976 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000338195244 543135208 /nfs/dbraw/zinc/13/52/08/543135208.db2.gz MFKCAAFZUMESKZ-WMZOPIPTSA-N 2 1 310.445 2.867 20 0 DFADMP FC(F)(F)c1csc(CC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000339067092 543140135 /nfs/dbraw/zinc/14/01/35/543140135.db2.gz FNLUZMGNTNHWFC-QWRGUYRKSA-N 2 1 319.396 2.921 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000339233459 543141251 /nfs/dbraw/zinc/14/12/51/543141251.db2.gz CNRFVRSXMOVXOI-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[N@H+](C)CC23CCCCC3)c1 ZINC000339831985 543148587 /nfs/dbraw/zinc/14/85/87/543148587.db2.gz UBIBWBWXYPELDP-UHFFFAOYSA-N 2 1 303.450 2.849 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[N@@H+](C)CC23CCCCC3)c1 ZINC000339831985 543148589 /nfs/dbraw/zinc/14/85/89/543148589.db2.gz UBIBWBWXYPELDP-UHFFFAOYSA-N 2 1 303.450 2.849 20 0 DFADMP CCc1cc(N2CCC(OCC[NH+](CC)CC)CC2)nc(C)[nH+]1 ZINC000359737211 543274760 /nfs/dbraw/zinc/27/47/60/543274760.db2.gz RXMSDOYBUHNJMU-UHFFFAOYSA-N 2 1 320.481 2.675 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[C@@H](O)C1 ZINC000390821449 543306908 /nfs/dbraw/zinc/30/69/08/543306908.db2.gz YTJPFTXGZHGPKD-HSALFYBXSA-N 2 1 316.489 2.991 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[C@H](O)C1 ZINC000390821447 543306944 /nfs/dbraw/zinc/30/69/44/543306944.db2.gz YTJPFTXGZHGPKD-AABGKKOBSA-N 2 1 316.489 2.991 20 0 DFADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[C@@H](O)C1 ZINC000390821450 543307092 /nfs/dbraw/zinc/30/70/92/543307092.db2.gz YTJPFTXGZHGPKD-VAMGGRTRSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H](NC[C@H](C1CC1)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000166197371 145232854 /nfs/dbraw/zinc/23/28/54/145232854.db2.gz ROVPOWNXRFKQJT-HNAYVOBHSA-N 2 1 319.493 2.618 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C[C@H]1c1ccccc1 ZINC000414337144 543325286 /nfs/dbraw/zinc/32/52/86/543325286.db2.gz KNBDYOFQNSRUDS-YSHGAJCASA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](CO)C2)C[C@H]1c1ccccc1 ZINC000414337144 543325291 /nfs/dbraw/zinc/32/52/91/543325291.db2.gz KNBDYOFQNSRUDS-YSHGAJCASA-N 2 1 302.462 2.963 20 0 DFADMP CCOc1c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414932591 543328371 /nfs/dbraw/zinc/32/83/71/543328371.db2.gz VWRDMKZCTMYUAM-CABCVRRESA-N 2 1 308.470 2.606 20 0 DFADMP CN(Cc1ccc(Br)cn1)C[C@H]1CCC[N@@H+](C)C1 ZINC000172582914 145308071 /nfs/dbraw/zinc/30/80/71/145308071.db2.gz IWEIRPUPGVHOHZ-LBPRGKRZSA-N 2 1 312.255 2.618 20 0 DFADMP Cc1ccc([C@H]([NH2+][C@@H](C)CN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349489833 285872074 /nfs/dbraw/zinc/87/20/74/285872074.db2.gz AXHAEGLJMJNJQF-KBXCAEBGSA-N 2 1 305.466 2.655 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)COC)CC2)cs1 ZINC000174077150 145366381 /nfs/dbraw/zinc/36/63/81/145366381.db2.gz HXRUTNOXTZIVQX-CYBMUJFWSA-N 2 1 311.495 2.542 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000174721219 145388632 /nfs/dbraw/zinc/38/86/32/145388632.db2.gz OAWMSBUWOXVCNZ-UIBIWLFHSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000174721219 145388634 /nfs/dbraw/zinc/38/86/34/145388634.db2.gz OAWMSBUWOXVCNZ-UIBIWLFHSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000174721219 145388636 /nfs/dbraw/zinc/38/86/36/145388636.db2.gz OAWMSBUWOXVCNZ-UIBIWLFHSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000630508126 399896146 /nfs/dbraw/zinc/89/61/46/399896146.db2.gz HHNDCGSYEANHIC-CABCVRRESA-N 2 1 323.444 2.797 20 0 DFADMP C[C@@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000630508128 399896217 /nfs/dbraw/zinc/89/62/17/399896217.db2.gz HHNDCGSYEANHIC-HUUCEWRRSA-N 2 1 323.444 2.797 20 0 DFADMP C[C@@H]([NH3+])C1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000630508679 399896584 /nfs/dbraw/zinc/89/65/84/399896584.db2.gz QHAOFQXUZFCOIG-CQSZACIVSA-N 2 1 323.444 2.560 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2ccc(Br)cc21 ZINC000630559733 399903210 /nfs/dbraw/zinc/90/32/10/399903210.db2.gz ZESCTHYONOLKNS-ONGXEEELSA-N 2 1 306.207 2.923 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953364 399964793 /nfs/dbraw/zinc/96/47/93/399964793.db2.gz GQMHMDSCDCDRHM-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP COc1ccccc1N1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000631038875 399966910 /nfs/dbraw/zinc/96/69/10/399966910.db2.gz AHYOHGHHDGARIN-UHFFFAOYSA-N 2 1 319.493 2.984 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2csc(C)c2C)CC1 ZINC000631040307 399967542 /nfs/dbraw/zinc/96/75/42/399967542.db2.gz BDHAIWAAEREDMV-UHFFFAOYSA-N 2 1 309.523 2.872 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccccc3OC)CC2)C1 ZINC000631044823 399968429 /nfs/dbraw/zinc/96/84/29/399968429.db2.gz OJSAPXCVRIZRMK-MRXNPFEDSA-N 2 1 317.477 2.595 20 0 DFADMP C[C@H](CC[NH2+]Cc1c2c(nn1C)CCCC2)[NH+]1CCCCC1 ZINC000631112255 399983121 /nfs/dbraw/zinc/98/31/21/399983121.db2.gz UUXUDNFIXWPVNI-OAHLLOKOSA-N 2 1 304.482 2.653 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)s1 ZINC000631045521 399968814 /nfs/dbraw/zinc/96/88/14/399968814.db2.gz GWUOLBXOBRDURN-CQSZACIVSA-N 2 1 311.495 2.544 20 0 DFADMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631083374 399977049 /nfs/dbraw/zinc/97/70/49/399977049.db2.gz OUAJMTVIDVEWBY-UHFFFAOYSA-N 2 1 319.493 2.986 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631083374 399977050 /nfs/dbraw/zinc/97/70/50/399977050.db2.gz OUAJMTVIDVEWBY-UHFFFAOYSA-N 2 1 319.493 2.986 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H](c2ccco2)[NH+](CC)CC)CC[N@H+]1C ZINC000630838639 399937011 /nfs/dbraw/zinc/93/70/11/399937011.db2.gz BHBOYFYMKCPCKB-XHSDSOJGSA-N 2 1 321.465 2.509 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC000628165394 399994803 /nfs/dbraw/zinc/99/48/03/399994803.db2.gz WTBKUJOPCQFRBH-OAHLLOKOSA-N 2 1 315.461 2.693 20 0 DFADMP CC[C@@H]1CCCC[C@H]1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000628167264 399995196 /nfs/dbraw/zinc/99/51/96/399995196.db2.gz INVSSXBRAIBMOS-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP CC[C@@H]1CCCC[C@H]1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000628167261 399995269 /nfs/dbraw/zinc/99/52/69/399995269.db2.gz INVSSXBRAIBMOS-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP Cn1nc2c(c1C[NH2+]C[C@H]1CCC[N@H+](CC3CC3)C1)CCCC2 ZINC000631179343 399997435 /nfs/dbraw/zinc/99/74/35/399997435.db2.gz RTXVRGRPPYXISG-MRXNPFEDSA-N 2 1 316.493 2.511 20 0 DFADMP Cn1nc2c(c1C[NH2+]C[C@H]1CCC[N@@H+](CC3CC3)C1)CCCC2 ZINC000631179343 399997437 /nfs/dbraw/zinc/99/74/37/399997437.db2.gz RTXVRGRPPYXISG-MRXNPFEDSA-N 2 1 316.493 2.511 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cnc(C)o2)CC1 ZINC000628186445 399998233 /nfs/dbraw/zinc/99/82/33/399998233.db2.gz KYUJCLSUGSAZMP-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195266 400000936 /nfs/dbraw/zinc/00/09/36/400000936.db2.gz DIBJODLSRCWCJJ-WMZOPIPTSA-N 2 1 312.461 2.586 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195266 400000938 /nfs/dbraw/zinc/00/09/38/400000938.db2.gz DIBJODLSRCWCJJ-WMZOPIPTSA-N 2 1 312.461 2.586 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000631194818 400000981 /nfs/dbraw/zinc/00/09/81/400000981.db2.gz PPXJYVQATKMFPV-WMZOPIPTSA-N 2 1 324.472 2.687 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000631194818 400000982 /nfs/dbraw/zinc/00/09/82/400000982.db2.gz PPXJYVQATKMFPV-WMZOPIPTSA-N 2 1 324.472 2.687 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000631195026 400000992 /nfs/dbraw/zinc/00/09/92/400000992.db2.gz AECLEPHUCVUESS-WBVHZDCISA-N 2 1 314.429 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000631195026 400000994 /nfs/dbraw/zinc/00/09/94/400000994.db2.gz AECLEPHUCVUESS-WBVHZDCISA-N 2 1 314.429 2.630 20 0 DFADMP CCn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631196586 400001307 /nfs/dbraw/zinc/00/13/07/400001307.db2.gz SOZFLLGUGDTQSR-QFBILLFUSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631196586 400001308 /nfs/dbraw/zinc/00/13/08/400001308.db2.gz SOZFLLGUGDTQSR-QFBILLFUSA-N 2 1 312.461 2.761 20 0 DFADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195836 400001427 /nfs/dbraw/zinc/00/14/27/400001427.db2.gz KNTHPZZGIUXPFM-KSSFIOAISA-N 2 1 312.461 2.884 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000631198431 400001940 /nfs/dbraw/zinc/00/19/40/400001940.db2.gz QMJLFEGNJMLOHR-KURKYZTESA-N 2 1 300.446 2.544 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000631198431 400001942 /nfs/dbraw/zinc/00/19/42/400001942.db2.gz QMJLFEGNJMLOHR-KURKYZTESA-N 2 1 300.446 2.544 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(C3CC3)o2)C[C@H](C)O1 ZINC000628218304 400003363 /nfs/dbraw/zinc/00/33/63/400003363.db2.gz ARLUJFGZCHXRDY-OKILXGFUSA-N 2 1 307.438 2.531 20 0 DFADMP O[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000631217213 400006451 /nfs/dbraw/zinc/00/64/51/400006451.db2.gz VLQBXVIVNXJQMQ-JKSUJKDBSA-N 2 1 324.415 2.789 20 0 DFADMP O[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000631217213 400006452 /nfs/dbraw/zinc/00/64/52/400006452.db2.gz VLQBXVIVNXJQMQ-JKSUJKDBSA-N 2 1 324.415 2.789 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000631245023 400011807 /nfs/dbraw/zinc/01/18/07/400011807.db2.gz GWBOGFKSKMEXHE-KRWDZBQOSA-N 2 1 303.450 2.977 20 0 DFADMP C[C@@]1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCCS1 ZINC000628337989 400022495 /nfs/dbraw/zinc/02/24/95/400022495.db2.gz XABIZXJDNGBUBL-MSOLQXFVSA-N 2 1 320.502 2.629 20 0 DFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC1(C)COC1 ZINC000628423250 400031171 /nfs/dbraw/zinc/03/11/71/400031171.db2.gz KFADUIFLSALXIQ-UHFFFAOYSA-N 2 1 318.461 2.630 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000628756585 400053970 /nfs/dbraw/zinc/05/39/70/400053970.db2.gz UTJOEFOCCYJBKK-HNNXBMFYSA-N 2 1 321.465 2.583 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631668192 400064353 /nfs/dbraw/zinc/06/43/53/400064353.db2.gz WBQILNCIORDPIS-BQFCYCMXSA-N 2 1 312.461 2.839 20 0 DFADMP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000631681478 400065526 /nfs/dbraw/zinc/06/55/26/400065526.db2.gz ZHNZABMOBYZXNS-PKOBYXMFSA-N 2 1 324.509 2.551 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628966514 400067239 /nfs/dbraw/zinc/06/72/39/400067239.db2.gz YHUYUGYJNGRLSC-ZBFHGGJFSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000628966514 400067240 /nfs/dbraw/zinc/06/72/40/400067240.db2.gz YHUYUGYJNGRLSC-ZBFHGGJFSA-N 2 1 318.465 2.530 20 0 DFADMP C[C@H]([NH2+]CC[C@H](O)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631698605 400068201 /nfs/dbraw/zinc/06/82/01/400068201.db2.gz GIANFYIAUHXJHK-IMJJTQAJSA-N 2 1 312.404 2.503 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)COCC2 ZINC000631822752 400077717 /nfs/dbraw/zinc/07/77/17/400077717.db2.gz NDCRQMIYYGSIQC-QFBILLFUSA-N 2 1 300.446 2.723 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)COCC2 ZINC000631822750 400077797 /nfs/dbraw/zinc/07/77/97/400077797.db2.gz NDCRQMIYYGSIQC-APWZRJJASA-N 2 1 300.446 2.723 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631826756 400077878 /nfs/dbraw/zinc/07/78/78/400077878.db2.gz WIXRONUJVALTAD-IRXDYDNUSA-N 2 1 314.473 2.971 20 0 DFADMP C(c1nc(C2CCC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000631829417 400078067 /nfs/dbraw/zinc/07/80/67/400078067.db2.gz PZWAJAUIKIVKLL-HNNXBMFYSA-N 2 1 304.438 2.549 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)COCC2 ZINC000631829670 400078114 /nfs/dbraw/zinc/07/81/14/400078114.db2.gz XBWQICNFIJBBLS-QGZVFWFLSA-N 2 1 314.473 2.971 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000631829548 400078147 /nfs/dbraw/zinc/07/81/47/400078147.db2.gz TZSKAVRKZVGOIJ-UHOSZYNNSA-N 2 1 317.477 2.868 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631837262 400078727 /nfs/dbraw/zinc/07/87/27/400078727.db2.gz PWDKPQQCEDUESS-QAPCUYQASA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631837262 400078728 /nfs/dbraw/zinc/07/87/28/400078728.db2.gz PWDKPQQCEDUESS-QAPCUYQASA-N 2 1 311.429 2.687 20 0 DFADMP CC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CCC1 ZINC000434753122 543349173 /nfs/dbraw/zinc/34/91/73/543349173.db2.gz DRAHLQHRCKLAFO-SFHVURJKSA-N 2 1 302.462 2.923 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237508690 146045596 /nfs/dbraw/zinc/04/55/96/146045596.db2.gz OSZFXPFTWMAZGX-JZXOWHBKSA-N 2 1 317.477 2.561 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245431062 146070810 /nfs/dbraw/zinc/07/08/10/146070810.db2.gz NWKXCALNYZPIGD-DOTOQJQBSA-N 2 1 303.450 2.677 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245431062 146070814 /nfs/dbraw/zinc/07/08/14/146070814.db2.gz NWKXCALNYZPIGD-DOTOQJQBSA-N 2 1 303.450 2.677 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245431062 146070818 /nfs/dbraw/zinc/07/08/18/146070818.db2.gz NWKXCALNYZPIGD-DOTOQJQBSA-N 2 1 303.450 2.677 20 0 DFADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@@H+]1CCCCn1cc[nH+]c1C ZINC000245565561 146083958 /nfs/dbraw/zinc/08/39/58/146083958.db2.gz DRCZBPWKFOCWME-ZACQAIPSSA-N 2 1 319.449 2.778 20 0 DFADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCCn1cc[nH+]c1C ZINC000245565561 146083960 /nfs/dbraw/zinc/08/39/60/146083960.db2.gz DRCZBPWKFOCWME-ZACQAIPSSA-N 2 1 319.449 2.778 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(C)c2ccccc21 ZINC000245657587 146091003 /nfs/dbraw/zinc/09/10/03/146091003.db2.gz FXXKUNFKFZSSHF-KONPQCLYSA-N 2 1 301.478 2.928 20 0 DFADMP CCC[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710388 146096431 /nfs/dbraw/zinc/09/64/31/146096431.db2.gz NDHVIYILBLJWHH-OKYOBFRVSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([C@H]3C[C@H]3C)o2)CC1 ZINC000245745788 146099320 /nfs/dbraw/zinc/09/93/20/146099320.db2.gz MRYSHNDXXNEZOT-VKJFTORMSA-N 2 1 320.477 2.928 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000245772308 146101575 /nfs/dbraw/zinc/10/15/75/146101575.db2.gz SBLSNKRZWMVNRD-QFBILLFUSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000245772308 146101577 /nfs/dbraw/zinc/10/15/77/146101577.db2.gz SBLSNKRZWMVNRD-QFBILLFUSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000245772308 146101579 /nfs/dbraw/zinc/10/15/79/146101579.db2.gz SBLSNKRZWMVNRD-QFBILLFUSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cc(C)ccc3n2)[C@@H](C)C1 ZINC000246213725 146131497 /nfs/dbraw/zinc/13/14/97/146131497.db2.gz YVVHKXMZUDOLFD-RDJZCZTQSA-N 2 1 300.450 2.805 20 0 DFADMP C[C@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1C ZINC000246688356 146149272 /nfs/dbraw/zinc/14/92/72/146149272.db2.gz YQTSGUFBBDRSNP-STQMWFEESA-N 2 1 319.836 2.780 20 0 DFADMP C[C@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@@H]1C ZINC000246688356 146149277 /nfs/dbraw/zinc/14/92/77/146149277.db2.gz YQTSGUFBBDRSNP-STQMWFEESA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247140438 146163702 /nfs/dbraw/zinc/16/37/02/146163702.db2.gz SGCKKAIPFFCCIE-UXLLHSPISA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247140438 146163706 /nfs/dbraw/zinc/16/37/06/146163706.db2.gz SGCKKAIPFFCCIE-UXLLHSPISA-N 2 1 304.482 2.755 20 0 DFADMP FC(F)COCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000249032363 146182835 /nfs/dbraw/zinc/18/28/35/146182835.db2.gz LTLXIWDBRLAGHY-IXDOHACOSA-N 2 1 324.415 2.768 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249055811 146184007 /nfs/dbraw/zinc/18/40/07/146184007.db2.gz YPMWJLDQCMXVIW-MOPGFXCFSA-N 2 1 316.445 2.560 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249055811 146184008 /nfs/dbraw/zinc/18/40/08/146184008.db2.gz YPMWJLDQCMXVIW-MOPGFXCFSA-N 2 1 316.445 2.560 20 0 DFADMP CO[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249091640 146187605 /nfs/dbraw/zinc/18/76/05/146187605.db2.gz NMUYFVYVFBWATI-QXCFHYIPSA-N 2 1 302.462 2.912 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190039 /nfs/dbraw/zinc/19/00/39/146190039.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190042 /nfs/dbraw/zinc/19/00/42/146190042.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190046 /nfs/dbraw/zinc/19/00/46/146190046.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190047 /nfs/dbraw/zinc/19/00/47/146190047.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190050 /nfs/dbraw/zinc/19/00/50/146190050.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190053 /nfs/dbraw/zinc/19/00/53/146190053.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000249163070 146190056 /nfs/dbraw/zinc/19/00/56/146190056.db2.gz ZNQLFWZCYAKVGK-RLLQIKCJSA-N 3 1 315.505 2.828 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000453333686 543371933 /nfs/dbraw/zinc/37/19/33/543371933.db2.gz BTTHSDCYVMROIJ-XWSJACJDSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000453333686 543371936 /nfs/dbraw/zinc/37/19/36/543371936.db2.gz BTTHSDCYVMROIJ-XWSJACJDSA-N 2 1 302.462 2.963 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000453397070 543372061 /nfs/dbraw/zinc/37/20/61/543372061.db2.gz JFZIEMKBHBRYKV-PKOBYXMFSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000453397070 543372063 /nfs/dbraw/zinc/37/20/63/543372063.db2.gz JFZIEMKBHBRYKV-PKOBYXMFSA-N 2 1 310.445 2.753 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252672552 146221896 /nfs/dbraw/zinc/22/18/96/146221896.db2.gz BGUAIIQPKKWTNW-KBPBESRZSA-N 2 1 302.447 2.855 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252672552 146221900 /nfs/dbraw/zinc/22/19/00/146221900.db2.gz BGUAIIQPKKWTNW-KBPBESRZSA-N 2 1 302.447 2.855 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000261539620 146237776 /nfs/dbraw/zinc/23/77/76/146237776.db2.gz CWBACPSREQQLAT-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532490 146237980 /nfs/dbraw/zinc/23/79/80/146237980.db2.gz AJILRXROTUFREI-WZGPROSRSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532490 146237983 /nfs/dbraw/zinc/23/79/83/146237983.db2.gz AJILRXROTUFREI-WZGPROSRSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532490 146237986 /nfs/dbraw/zinc/23/79/86/146237986.db2.gz AJILRXROTUFREI-WZGPROSRSA-N 3 1 301.478 2.757 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261557845 146240892 /nfs/dbraw/zinc/24/08/92/146240892.db2.gz XRWHKRCEIVSMBU-HKUYNNGSSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@H]21 ZINC000261644302 146252243 /nfs/dbraw/zinc/25/22/43/146252243.db2.gz AMPCTJWVFBRSSZ-FSPWUOQZSA-N 2 1 314.408 2.571 20 0 DFADMP C[C@@H]1C[C@H](N(C)C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261714580 146264053 /nfs/dbraw/zinc/26/40/53/146264053.db2.gz FARWGQQMIYJBGI-MISYRCLQSA-N 3 1 315.505 2.971 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261770322 146272848 /nfs/dbraw/zinc/27/28/48/146272848.db2.gz DPVGYSDUUOAOIA-MOPGFXCFSA-N 2 1 324.472 2.712 20 0 DFADMP Cc1ccc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cn2c1 ZINC000261795004 146277505 /nfs/dbraw/zinc/27/75/05/146277505.db2.gz QMACVEPPBFFVPL-MJGOQNOKSA-N 2 1 320.440 2.817 20 0 DFADMP Cc1ccc2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cn2c1 ZINC000261795004 146277508 /nfs/dbraw/zinc/27/75/08/146277508.db2.gz QMACVEPPBFFVPL-MJGOQNOKSA-N 2 1 320.440 2.817 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000261819791 146282433 /nfs/dbraw/zinc/28/24/33/146282433.db2.gz AQPSXYUFJBGJSP-GFCCVEGCSA-N 2 1 320.824 2.951 20 0 DFADMP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261843321 146286966 /nfs/dbraw/zinc/28/69/66/146286966.db2.gz AQJXGWLXPGALRB-KURKYZTESA-N 2 1 314.429 2.722 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC(F)F ZINC000261844140 146287476 /nfs/dbraw/zinc/28/74/76/146287476.db2.gz CWNRHNDGLXHAMQ-AAEUAGOBSA-N 2 1 314.376 2.856 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000261893625 146296254 /nfs/dbraw/zinc/29/62/54/146296254.db2.gz UMNQNOBUWZBHCC-YJBOKZPZSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@]1(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261907095 146299084 /nfs/dbraw/zinc/29/90/84/146299084.db2.gz XIQCZTUNWCDCFO-SFHVURJKSA-N 2 1 321.896 2.847 20 0 DFADMP C[C@]1(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261907095 146299086 /nfs/dbraw/zinc/29/90/86/146299086.db2.gz XIQCZTUNWCDCFO-SFHVURJKSA-N 2 1 321.896 2.847 20 0 DFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261929631 146304480 /nfs/dbraw/zinc/30/44/80/146304480.db2.gz LKJRHZVGGIBABO-DLBZAZTESA-N 3 1 312.461 2.809 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000261931895 146304711 /nfs/dbraw/zinc/30/47/11/146304711.db2.gz LPPJEMJZNYKKNI-SJPCQFCGSA-N 2 1 302.466 2.641 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cn1 ZINC000261931895 146304713 /nfs/dbraw/zinc/30/47/13/146304713.db2.gz LPPJEMJZNYKKNI-SJPCQFCGSA-N 2 1 302.466 2.641 20 0 DFADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261946586 146307009 /nfs/dbraw/zinc/30/70/09/146307009.db2.gz NPYFIHZJMSPWBK-ORQFMDKSSA-N 2 1 318.486 2.970 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@H]21 ZINC000261952951 146308401 /nfs/dbraw/zinc/30/84/01/146308401.db2.gz OEJHMGSSAFOABE-CYZMBNFOSA-N 2 1 305.422 2.995 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@H]21 ZINC000261952951 146308404 /nfs/dbraw/zinc/30/84/04/146308404.db2.gz OEJHMGSSAFOABE-CYZMBNFOSA-N 2 1 305.422 2.995 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261959781 146310332 /nfs/dbraw/zinc/31/03/32/146310332.db2.gz PBPQLYRFTZTEOO-QGZVFWFLSA-N 2 1 310.445 2.891 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C1 ZINC000261959781 146310335 /nfs/dbraw/zinc/31/03/35/146310335.db2.gz PBPQLYRFTZTEOO-QGZVFWFLSA-N 2 1 310.445 2.891 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261981121 146315348 /nfs/dbraw/zinc/31/53/48/146315348.db2.gz RIUCLQVAXSDWOA-SNRMKQJTSA-N 2 1 324.472 2.955 20 0 DFADMP CCCOc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000261980397 146315758 /nfs/dbraw/zinc/31/57/58/146315758.db2.gz JENXQGSYBBJNJW-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000261980397 146315765 /nfs/dbraw/zinc/31/57/65/146315765.db2.gz JENXQGSYBBJNJW-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261995444 146319493 /nfs/dbraw/zinc/31/94/93/146319493.db2.gz STTQSENJTWXQEN-PBHICJAKSA-N 2 1 316.424 2.630 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261995444 146319499 /nfs/dbraw/zinc/31/94/99/146319499.db2.gz STTQSENJTWXQEN-PBHICJAKSA-N 2 1 316.424 2.630 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000262009014 146320474 /nfs/dbraw/zinc/32/04/74/146320474.db2.gz WDAQXPXDYKLXMA-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000262009014 146320475 /nfs/dbraw/zinc/32/04/75/146320475.db2.gz WDAQXPXDYKLXMA-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)s2)cn1 ZINC000262007890 146320844 /nfs/dbraw/zinc/32/08/44/146320844.db2.gz UUINDGRBFXHFIG-ZDUSSCGKSA-N 2 1 304.463 2.709 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262005117 146320912 /nfs/dbraw/zinc/32/09/12/146320912.db2.gz UMPKNEJKADJVOO-SZMVWBNQSA-N 2 1 310.445 2.740 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)Sc1ccccc1 ZINC000262024181 146323486 /nfs/dbraw/zinc/32/34/86/146323486.db2.gz WXAITWKZNYGSOW-VDHUWJSZSA-N 2 1 320.502 2.914 20 0 DFADMP CCC(CC)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)SC ZINC000262033211 146324620 /nfs/dbraw/zinc/32/46/20/146324620.db2.gz XQZUHPQFPXUUFW-RBSFLKMASA-N 2 1 300.512 2.655 20 0 DFADMP CC(C)c1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000262031551 146325260 /nfs/dbraw/zinc/32/52/60/146325260.db2.gz YWOZLIYMGUVDKQ-OAHLLOKOSA-N 2 1 303.450 2.809 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000262082530 146330628 /nfs/dbraw/zinc/33/06/28/146330628.db2.gz TXMAZZBVEPTNRI-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)ccn1 ZINC000262082530 146330630 /nfs/dbraw/zinc/33/06/30/146330630.db2.gz TXMAZZBVEPTNRI-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262095788 146333397 /nfs/dbraw/zinc/33/33/97/146333397.db2.gz IJFJYBFMGCNGMU-GUTXKFCHSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262095788 146333401 /nfs/dbraw/zinc/33/34/01/146333401.db2.gz IJFJYBFMGCNGMU-GUTXKFCHSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)o1 ZINC000262133111 146337052 /nfs/dbraw/zinc/33/70/52/146337052.db2.gz YIOXLODWMYEVSU-UHFFFAOYSA-N 2 1 300.406 2.554 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2sc(C)nc2C(F)(F)F)CC1 ZINC000262145364 146338734 /nfs/dbraw/zinc/33/87/34/146338734.db2.gz QISPKPZWEIJMSJ-UHFFFAOYSA-N 2 1 307.385 2.902 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262151601 146338857 /nfs/dbraw/zinc/33/88/57/146338857.db2.gz ZYEDRJGTOVETDJ-FQEVSTJZSA-N 2 1 324.472 2.734 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262151601 146338861 /nfs/dbraw/zinc/33/88/61/146338861.db2.gz ZYEDRJGTOVETDJ-FQEVSTJZSA-N 2 1 324.472 2.734 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H](C[NH3+])C3)CCC2)c1 ZINC000262191809 146342070 /nfs/dbraw/zinc/34/20/70/146342070.db2.gz YTFUNWWSDHIPNU-QGZVFWFLSA-N 2 1 318.461 2.663 20 0 DFADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)c1)OCO2 ZINC000262307184 146350304 /nfs/dbraw/zinc/35/03/04/146350304.db2.gz PIYBFMWOYGAXGT-OWCLPIDISA-N 2 1 302.418 2.816 20 0 DFADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)c1)OCO2 ZINC000262307172 146350315 /nfs/dbraw/zinc/35/03/15/146350315.db2.gz PIYBFMWOYGAXGT-ARFHVFGLSA-N 2 1 302.418 2.816 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2scnc2C2CC2)CCCO1 ZINC000487177938 543400933 /nfs/dbraw/zinc/40/09/33/543400933.db2.gz FCEAQGDKPHJEQQ-CYBMUJFWSA-N 2 1 309.479 2.611 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2scnc2C2CC2)CCCO1 ZINC000487177938 543400934 /nfs/dbraw/zinc/40/09/34/543400934.db2.gz FCEAQGDKPHJEQQ-CYBMUJFWSA-N 2 1 309.479 2.611 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1 ZINC000354346327 147002541 /nfs/dbraw/zinc/00/25/41/147002541.db2.gz HLMFNMPCQUYSLZ-NEWSRXKRSA-N 2 1 320.477 2.711 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCOC[C@H]1C)c1ccccc1 ZINC000354346327 147002544 /nfs/dbraw/zinc/00/25/44/147002544.db2.gz HLMFNMPCQUYSLZ-NEWSRXKRSA-N 2 1 320.477 2.711 20 0 DFADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000354834002 147169634 /nfs/dbraw/zinc/16/96/34/147169634.db2.gz RRRZHLFZHQZTMR-SJLPKXTDSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000354833993 147169728 /nfs/dbraw/zinc/16/97/28/147169728.db2.gz RRRZHLFZHQZTMR-FUHWJXTLSA-N 2 1 323.525 2.591 20 0 DFADMP Cc1ccnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000354863633 147182047 /nfs/dbraw/zinc/18/20/47/147182047.db2.gz SWUHMUQZOZTJRZ-UHFFFAOYSA-N 2 1 311.433 2.528 20 0 DFADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCCC1 ZINC000354892983 147190944 /nfs/dbraw/zinc/19/09/44/147190944.db2.gz IAKXFWPNXXGILH-UHFFFAOYSA-N 2 1 303.450 2.535 20 0 DFADMP CCc1noc(C2CCC([NH2+]C[C@@H](C)[NH+](CC)CC)CC2)n1 ZINC000355288458 147253819 /nfs/dbraw/zinc/25/38/19/147253819.db2.gz IAJUMZQIHFWFSE-WLYUNCDWSA-N 2 1 308.470 2.978 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000355337532 147271403 /nfs/dbraw/zinc/27/14/03/147271403.db2.gz XAJMSULORGSMJY-ROUUACIJSA-N 2 1 310.445 2.590 20 0 DFADMP CC[NH+](CC)CCN(CC(C)C)C(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000355408920 147303982 /nfs/dbraw/zinc/30/39/82/147303982.db2.gz LARGOHQDHVAGMC-CALCHBBNSA-N 2 1 311.514 2.686 20 0 DFADMP Cc1cc(NC(=O)c2ccccc2C[NH+](C)C)cn2cc[nH+]c12 ZINC000355456063 147322739 /nfs/dbraw/zinc/32/27/39/147322739.db2.gz FDTAAGYZROCNSW-UHFFFAOYSA-N 2 1 308.385 2.957 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@@H]1c1ccccc1 ZINC000559773583 543444972 /nfs/dbraw/zinc/44/49/72/543444972.db2.gz AEKWUUZBEFQTST-DSLXNQLJSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@@H]1c1ccccc1 ZINC000559773583 543444974 /nfs/dbraw/zinc/44/49/74/543444974.db2.gz AEKWUUZBEFQTST-DSLXNQLJSA-N 2 1 302.462 2.963 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000350092482 286003485 /nfs/dbraw/zinc/00/34/85/286003485.db2.gz RKIOKVFBCJQTDF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000350092482 286003488 /nfs/dbraw/zinc/00/34/88/286003488.db2.gz RKIOKVFBCJQTDF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000350092482 286003489 /nfs/dbraw/zinc/00/34/89/286003489.db2.gz RKIOKVFBCJQTDF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000350092482 286003492 /nfs/dbraw/zinc/00/34/92/286003492.db2.gz RKIOKVFBCJQTDF-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000598969321 543468267 /nfs/dbraw/zinc/46/82/67/543468267.db2.gz FHKQKJSIENGJAO-QDUSTFBWSA-N 2 1 308.491 2.947 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000598969321 543468270 /nfs/dbraw/zinc/46/82/70/543468270.db2.gz FHKQKJSIENGJAO-QDUSTFBWSA-N 2 1 308.491 2.947 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000357635821 148065427 /nfs/dbraw/zinc/06/54/27/148065427.db2.gz KCSSPJLOYWXYSE-KXBFYZLASA-N 2 1 302.462 2.841 20 0 DFADMP c1cc(N2CCC(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc[nH+]1 ZINC000357846173 148146081 /nfs/dbraw/zinc/14/60/81/148146081.db2.gz CIFIIIGWDDLLCC-MJGOQNOKSA-N 3 1 314.477 2.514 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358013162 148212495 /nfs/dbraw/zinc/21/24/95/148212495.db2.gz JASNKDNSSPTCMH-CZUORRHYSA-N 2 1 323.868 2.989 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000358061533 148229184 /nfs/dbraw/zinc/22/91/84/148229184.db2.gz LZOWZWDPWWELNX-HIFRSBDPSA-N 2 1 316.474 2.677 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000358080292 148236133 /nfs/dbraw/zinc/23/61/33/148236133.db2.gz GEEGWILKEZDABX-WFASDCNBSA-N 2 1 324.852 2.584 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358103367 148243803 /nfs/dbraw/zinc/24/38/03/148243803.db2.gz KJWOVWUXCKOLKC-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358103367 148243806 /nfs/dbraw/zinc/24/38/06/148243806.db2.gz KJWOVWUXCKOLKC-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358103367 148243812 /nfs/dbraw/zinc/24/38/12/148243812.db2.gz KJWOVWUXCKOLKC-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000358256481 148307579 /nfs/dbraw/zinc/30/75/79/148307579.db2.gz TVEHACTXJUJLBT-ZVZYQTTQSA-N 2 1 311.433 2.545 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647936996 543510049 /nfs/dbraw/zinc/51/00/49/543510049.db2.gz PECXHEWQIFRQMS-SJLPKXTDSA-N 2 1 317.477 2.632 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647936996 543510051 /nfs/dbraw/zinc/51/00/51/543510051.db2.gz PECXHEWQIFRQMS-SJLPKXTDSA-N 2 1 317.477 2.632 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@H]2COc3ccccc3O2)[C@H](C)C1 ZINC000358280752 148317177 /nfs/dbraw/zinc/31/71/77/148317177.db2.gz BUFYIPAVSOGKAQ-PMPSAXMXSA-N 2 1 304.434 2.536 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358521715 148382349 /nfs/dbraw/zinc/38/23/49/148382349.db2.gz YOQDHTMCHANGLI-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)NCCCC1CCCCC1 ZINC000358520455 148382395 /nfs/dbraw/zinc/38/23/95/148382395.db2.gz UWJIVSJUZISSQN-UHFFFAOYSA-N 2 1 321.509 2.539 20 0 DFADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350556396 286057974 /nfs/dbraw/zinc/05/79/74/286057974.db2.gz LXKNRFXLHOEYIU-IEBWSBKVSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350556395 286057983 /nfs/dbraw/zinc/05/79/83/286057983.db2.gz LXKNRFXLHOEYIU-HKUYNNGSSA-N 2 1 312.461 2.890 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccncc1 ZINC000350556712 286058000 /nfs/dbraw/zinc/05/80/00/286058000.db2.gz KEGYSJTUZOOROU-INIZCTEOSA-N 2 1 311.429 2.765 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn(C)nc2C)[C@H](C)C1 ZINC000247075041 286064754 /nfs/dbraw/zinc/06/47/54/286064754.db2.gz QJBKGUAUFWBEAE-RKVPGOIHSA-N 2 1 322.497 2.516 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn(C)nc2C)[C@H](C)C1 ZINC000247075041 286064756 /nfs/dbraw/zinc/06/47/56/286064756.db2.gz QJBKGUAUFWBEAE-RKVPGOIHSA-N 2 1 322.497 2.516 20 0 DFADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c(C)c1 ZINC000660448490 543526869 /nfs/dbraw/zinc/52/68/69/543526869.db2.gz ORENSDFSKQOPTH-QZTJIDSGSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1ccc([C@@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c(C)c1 ZINC000660448490 543526870 /nfs/dbraw/zinc/52/68/70/543526870.db2.gz ORENSDFSKQOPTH-QZTJIDSGSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c(C)c1 ZINC000660448486 543526906 /nfs/dbraw/zinc/52/69/06/543526906.db2.gz ORENSDFSKQOPTH-MSOLQXFVSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c(C)c1 ZINC000660448486 543526910 /nfs/dbraw/zinc/52/69/10/543526910.db2.gz ORENSDFSKQOPTH-MSOLQXFVSA-N 2 1 304.478 2.794 20 0 DFADMP c1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261933512 296615878 /nfs/dbraw/zinc/61/58/78/296615878.db2.gz MABSVCCTXMJAEW-GVDBMIGSSA-N 2 1 306.475 2.525 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000361104732 149028711 /nfs/dbraw/zinc/02/87/11/149028711.db2.gz LAYVPGSXYKAWMA-BHIYHBOVSA-N 2 1 312.461 2.944 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000361104733 149029252 /nfs/dbraw/zinc/02/92/52/149029252.db2.gz LAYVPGSXYKAWMA-NEWSRXKRSA-N 2 1 312.461 2.944 20 0 DFADMP C[C@H](CC[NH2+]Cc1cn(C)nc1C(F)F)[NH+]1CCCCC1 ZINC000361136281 149036091 /nfs/dbraw/zinc/03/60/91/149036091.db2.gz NBNLMRFUAVGHRF-GFCCVEGCSA-N 2 1 300.397 2.712 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@H]2c2ccccc2)C1 ZINC000361310527 149081761 /nfs/dbraw/zinc/08/17/61/149081761.db2.gz TUZLURCSAPJHPC-CEXWTWQISA-N 2 1 302.462 2.975 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361334265 149088060 /nfs/dbraw/zinc/08/80/60/149088060.db2.gz FWTMXNWZZWZHFH-CYGHRXIMSA-N 2 1 322.518 2.742 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361334265 149088062 /nfs/dbraw/zinc/08/80/62/149088062.db2.gz FWTMXNWZZWZHFH-CYGHRXIMSA-N 2 1 322.518 2.742 20 0 DFADMP CO[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC000660449279 543527887 /nfs/dbraw/zinc/52/78/87/543527887.db2.gz UBXWCTLDZFCWKY-HSALFYBXSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC000660449279 543527890 /nfs/dbraw/zinc/52/78/90/543527890.db2.gz UBXWCTLDZFCWKY-HSALFYBXSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC000660449279 543527893 /nfs/dbraw/zinc/52/78/93/543527893.db2.gz UBXWCTLDZFCWKY-HSALFYBXSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000361398396 149104416 /nfs/dbraw/zinc/10/44/16/149104416.db2.gz SZSGDEUAGUIOEZ-QRQLOZEOSA-N 2 1 302.462 2.913 20 0 DFADMP CCOC[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000361460237 149121736 /nfs/dbraw/zinc/12/17/36/149121736.db2.gz UBJCKWLAJCYRDI-HNNXBMFYSA-N 2 1 308.441 2.847 20 0 DFADMP C/C=C\C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000361460516 149122515 /nfs/dbraw/zinc/12/25/15/149122515.db2.gz YRFZZGJYEBAXEL-AXMVSILFSA-N 2 1 302.462 2.610 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CCOCC2)[C@H](C)C1 ZINC000361482888 149127240 /nfs/dbraw/zinc/12/72/40/149127240.db2.gz BOGIFNMWQSUXGW-SJLPKXTDSA-N 2 1 312.498 2.530 20 0 DFADMP CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)[C@@H](C)C2)cn1 ZINC000361562202 149148755 /nfs/dbraw/zinc/14/87/55/149148755.db2.gz APJGCWBZNUHCDH-DOTOQJQBSA-N 2 1 304.482 2.842 20 0 DFADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685816 149191956 /nfs/dbraw/zinc/19/19/56/149191956.db2.gz GPPQGRJBRPAVDX-OALUTQOASA-N 2 1 314.473 2.888 20 0 DFADMP OC1(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685816 149191958 /nfs/dbraw/zinc/19/19/58/149191958.db2.gz GPPQGRJBRPAVDX-OALUTQOASA-N 2 1 314.473 2.888 20 0 DFADMP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000667146224 543553435 /nfs/dbraw/zinc/55/34/35/543553435.db2.gz HVFDBUPHRCKHFY-UHFFFAOYSA-N 2 1 317.437 2.885 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000667146224 543553437 /nfs/dbraw/zinc/55/34/37/543553437.db2.gz HVFDBUPHRCKHFY-UHFFFAOYSA-N 2 1 317.437 2.885 20 0 DFADMP CCN(C(=O)Nc1cc(C)c2nccn2c1)[C@H]1CC[N@@H+](CC)C1 ZINC000667147441 543553515 /nfs/dbraw/zinc/55/35/15/543553515.db2.gz CDXYVCUDAIYGSH-HNNXBMFYSA-N 2 1 315.421 2.591 20 0 DFADMP CCN(C(=O)Nc1cc(C)c2[nH+]ccn2c1)[C@H]1CC[N@@H+](CC)C1 ZINC000667147441 543553520 /nfs/dbraw/zinc/55/35/20/543553520.db2.gz CDXYVCUDAIYGSH-HNNXBMFYSA-N 2 1 315.421 2.591 20 0 DFADMP Cc1cc(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cn2cc[nH+]c12 ZINC000667148382 543554190 /nfs/dbraw/zinc/55/41/90/543554190.db2.gz XLKCTWUKICSLBO-CQSZACIVSA-N 2 1 315.421 2.637 20 0 DFADMP Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)cn2cc[nH+]c12 ZINC000667148382 543554192 /nfs/dbraw/zinc/55/41/92/543554192.db2.gz XLKCTWUKICSLBO-CQSZACIVSA-N 2 1 315.421 2.637 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000361876597 149242854 /nfs/dbraw/zinc/24/28/54/149242854.db2.gz FSGVGMCQEUXAHH-ZWNOBZJWSA-N 2 1 317.264 2.730 20 0 DFADMP COc1ccc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)nc1 ZINC000361988587 149271819 /nfs/dbraw/zinc/27/18/19/149271819.db2.gz XCPZLFDMFGBDEI-HNNXBMFYSA-N 2 1 315.461 2.787 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000350894095 286097940 /nfs/dbraw/zinc/09/79/40/286097940.db2.gz HIQCZFSXZMNLIC-UHFFFAOYSA-N 2 1 307.438 2.682 20 0 DFADMP C[N@H+](C[C@H]1CC12CC[NH+](CC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000362616984 149325731 /nfs/dbraw/zinc/32/57/31/149325731.db2.gz NZEUEGHHFSLUQN-CQSZACIVSA-N 2 1 308.466 2.524 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000362616984 149325735 /nfs/dbraw/zinc/32/57/35/149325735.db2.gz NZEUEGHHFSLUQN-CQSZACIVSA-N 2 1 308.466 2.524 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362924794 149398919 /nfs/dbraw/zinc/39/89/19/149398919.db2.gz ACFOFAOLPVVQCM-KRWDZBQOSA-N 2 1 319.424 2.634 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2ccc[nH]2)CC1 ZINC000351270184 286119459 /nfs/dbraw/zinc/11/94/59/286119459.db2.gz NMEXXDMCUPALIM-SFHVURJKSA-N 2 1 304.482 2.568 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@H]12 ZINC000351472900 286129011 /nfs/dbraw/zinc/12/90/11/286129011.db2.gz BSZYQOKCXGUDMX-YZGWKJHDSA-N 2 1 323.440 2.830 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351500732 286137087 /nfs/dbraw/zinc/13/70/87/286137087.db2.gz XGAHIAJOZQGQCT-OTRWWLKZSA-N 2 1 315.461 2.806 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351500732 286137088 /nfs/dbraw/zinc/13/70/88/286137088.db2.gz XGAHIAJOZQGQCT-OTRWWLKZSA-N 2 1 315.461 2.806 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C12CCCCC2 ZINC000351513692 286140632 /nfs/dbraw/zinc/14/06/32/286140632.db2.gz MBISMJDYIDTMCI-KZNAEPCWSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C12CCCCC2 ZINC000351513692 286140634 /nfs/dbraw/zinc/14/06/34/286140634.db2.gz MBISMJDYIDTMCI-KZNAEPCWSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C12CCCCC2 ZINC000351513692 286140636 /nfs/dbraw/zinc/14/06/36/286140636.db2.gz MBISMJDYIDTMCI-KZNAEPCWSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C12CCCCC2 ZINC000351513692 286140637 /nfs/dbraw/zinc/14/06/37/286140637.db2.gz MBISMJDYIDTMCI-KZNAEPCWSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C12CCCCC2 ZINC000351513697 286140685 /nfs/dbraw/zinc/14/06/85/286140685.db2.gz MBISMJDYIDTMCI-RCCFBDPRSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C2CC2)C12CCCCC2 ZINC000351513697 286140687 /nfs/dbraw/zinc/14/06/87/286140687.db2.gz MBISMJDYIDTMCI-RCCFBDPRSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@H+](C)C2CC2)C12CCCCC2 ZINC000351513697 286140689 /nfs/dbraw/zinc/14/06/89/286140689.db2.gz MBISMJDYIDTMCI-RCCFBDPRSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C2CC2)C12CCCCC2 ZINC000351513697 286140692 /nfs/dbraw/zinc/14/06/92/286140692.db2.gz MBISMJDYIDTMCI-RCCFBDPRSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]2CCCO2)CC1 ZINC000351518422 286141531 /nfs/dbraw/zinc/14/15/31/286141531.db2.gz LYOZQXDRNLIYHR-SOTJZCEJSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@H]2CCCO2)CC1 ZINC000351518422 286141533 /nfs/dbraw/zinc/14/15/33/286141533.db2.gz LYOZQXDRNLIYHR-SOTJZCEJSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@H]2CCCO2)CC1 ZINC000351518422 286141534 /nfs/dbraw/zinc/14/15/34/286141534.db2.gz LYOZQXDRNLIYHR-SOTJZCEJSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@H]2CCCO2)CC1 ZINC000351518422 286141536 /nfs/dbraw/zinc/14/15/36/286141536.db2.gz LYOZQXDRNLIYHR-SOTJZCEJSA-N 2 1 324.509 2.501 20 0 DFADMP CCCOC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329126 150023551 /nfs/dbraw/zinc/02/35/51/150023551.db2.gz DRAZETUECXLUPE-CABCVRRESA-N 2 1 308.466 2.524 20 0 DFADMP CCCOC(=O)[C@@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329126 150023554 /nfs/dbraw/zinc/02/35/54/150023554.db2.gz DRAZETUECXLUPE-CABCVRRESA-N 2 1 308.466 2.524 20 0 DFADMP Cc1nccn1CCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371330254 150025178 /nfs/dbraw/zinc/02/51/78/150025178.db2.gz SLXZTNFTSPEARA-QGZVFWFLSA-N 2 1 316.493 2.778 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371330254 150025180 /nfs/dbraw/zinc/02/51/80/150025180.db2.gz SLXZTNFTSPEARA-QGZVFWFLSA-N 3 1 316.493 2.778 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371330254 150025184 /nfs/dbraw/zinc/02/51/84/150025184.db2.gz SLXZTNFTSPEARA-QGZVFWFLSA-N 3 1 316.493 2.778 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000371335499 150025732 /nfs/dbraw/zinc/02/57/32/150025732.db2.gz KNKYQTOCAQOBDL-LJQANCHMSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cnn4ccccc34)C2)c1 ZINC000371372936 150032499 /nfs/dbraw/zinc/03/24/99/150032499.db2.gz JBXXLMLZJQJZBF-INIZCTEOSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cnn4ccccc34)C2)c1 ZINC000371372936 150032501 /nfs/dbraw/zinc/03/25/01/150032501.db2.gz JBXXLMLZJQJZBF-INIZCTEOSA-N 2 1 321.428 2.972 20 0 DFADMP C[C@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371425605 150044939 /nfs/dbraw/zinc/04/49/39/150044939.db2.gz TXHJRGJJUADSIC-YLJYHZDGSA-N 2 1 315.505 2.890 20 0 DFADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1C ZINC000371470423 150052347 /nfs/dbraw/zinc/05/23/47/150052347.db2.gz LIELCTHPYSIOKH-GUDVDZBRSA-N 2 1 302.462 2.987 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000371517497 150059241 /nfs/dbraw/zinc/05/92/41/150059241.db2.gz FDRGTELHYOWOPG-OMZCVMJRSA-N 2 1 315.505 2.998 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000371517497 150059244 /nfs/dbraw/zinc/05/92/44/150059244.db2.gz FDRGTELHYOWOPG-OMZCVMJRSA-N 2 1 315.505 2.998 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000371517497 150059248 /nfs/dbraw/zinc/05/92/48/150059248.db2.gz FDRGTELHYOWOPG-OMZCVMJRSA-N 2 1 315.505 2.998 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2cccn2)cc1F ZINC000371543742 150063063 /nfs/dbraw/zinc/06/30/63/150063063.db2.gz CKKHIULSJVUSCQ-ZDUSSCGKSA-N 2 1 313.380 2.867 20 0 DFADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351575688 286158396 /nfs/dbraw/zinc/15/83/96/286158396.db2.gz SXOUFKVYVZCREC-DNVCBOLYSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351575688 286158397 /nfs/dbraw/zinc/15/83/97/286158397.db2.gz SXOUFKVYVZCREC-DNVCBOLYSA-N 2 1 304.478 2.991 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000371974990 150119705 /nfs/dbraw/zinc/11/97/05/150119705.db2.gz RYUWUWXBBCOLDB-INIZCTEOSA-N 2 1 317.477 2.595 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000371985125 150120655 /nfs/dbraw/zinc/12/06/55/150120655.db2.gz QRDKDVIXYRJIPM-AYOQOUSVSA-N 2 1 320.452 2.847 20 0 DFADMP CCOC(C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)OCC ZINC000372044867 150129114 /nfs/dbraw/zinc/12/91/14/150129114.db2.gz YBYHOXVJTRBTRO-OAHLLOKOSA-N 2 1 307.438 2.523 20 0 DFADMP C[N@H+](Cc1cc(F)cc(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372460158 150176020 /nfs/dbraw/zinc/17/60/20/150176020.db2.gz MZPLPHSCQAUJPG-SFHVURJKSA-N 2 1 323.431 2.565 20 0 DFADMP C[N@@H+](Cc1cc(F)cc(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372460158 150176022 /nfs/dbraw/zinc/17/60/22/150176022.db2.gz MZPLPHSCQAUJPG-SFHVURJKSA-N 2 1 323.431 2.565 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(CO)(Nc2ccccc2)CC1 ZINC000372808844 150187309 /nfs/dbraw/zinc/18/73/09/150187309.db2.gz UYGFSVDNZIXHJK-UHFFFAOYSA-N 2 1 319.493 2.657 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](c3nccn3C)C2)c1 ZINC000373105762 150231477 /nfs/dbraw/zinc/23/14/77/150231477.db2.gz BUZVGACKYIEHNC-MRXNPFEDSA-N 2 1 312.417 2.758 20 0 DFADMP C[C@@H](CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000373912655 150277236 /nfs/dbraw/zinc/27/72/36/150277236.db2.gz QMEKZUMRJYOCAL-ICSRJNTNSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000373965050 150284788 /nfs/dbraw/zinc/28/47/88/150284788.db2.gz LSQMAARLUUUSCP-HNNXBMFYSA-N 2 1 319.449 2.856 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC(=O)OC(C)(C)C)C2)[nH+]1 ZINC000373965050 150284790 /nfs/dbraw/zinc/28/47/90/150284790.db2.gz LSQMAARLUUUSCP-HNNXBMFYSA-N 2 1 319.449 2.856 20 0 DFADMP OCCCC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374065703 150301375 /nfs/dbraw/zinc/30/13/75/150301375.db2.gz MOLILFFXLLNSJM-LJQANCHMSA-N 2 1 302.462 2.747 20 0 DFADMP OCCCC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374065703 150301379 /nfs/dbraw/zinc/30/13/79/150301379.db2.gz MOLILFFXLLNSJM-LJQANCHMSA-N 2 1 302.462 2.747 20 0 DFADMP OCCCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374065703 150301383 /nfs/dbraw/zinc/30/13/83/150301383.db2.gz MOLILFFXLLNSJM-LJQANCHMSA-N 2 1 302.462 2.747 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)c3ccccc3F)C2)CC1 ZINC000374074465 150303213 /nfs/dbraw/zinc/30/32/13/150303213.db2.gz KTIJHJGNUHJCIG-QGZVFWFLSA-N 2 1 306.425 2.667 20 0 DFADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000374232554 150327529 /nfs/dbraw/zinc/32/75/29/150327529.db2.gz VXNKVGJPZMWPNY-UHOSZYNNSA-N 2 1 315.505 2.794 20 0 DFADMP CCCCOC(=O)CN1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000374404331 150361279 /nfs/dbraw/zinc/36/12/79/150361279.db2.gz JSRIQEAQMWFBSZ-HNNXBMFYSA-N 2 1 307.438 2.987 20 0 DFADMP C[C@@H]1C[C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526373 150372904 /nfs/dbraw/zinc/37/29/04/150372904.db2.gz HLYQEZASWQDCAL-IZBJGVDFSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000374526373 150372910 /nfs/dbraw/zinc/37/29/10/150372910.db2.gz HLYQEZASWQDCAL-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526373 150372911 /nfs/dbraw/zinc/37/29/11/150372911.db2.gz HLYQEZASWQDCAL-IZBJGVDFSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526373 150372915 /nfs/dbraw/zinc/37/29/15/150372915.db2.gz HLYQEZASWQDCAL-IZBJGVDFSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000374526373 150372917 /nfs/dbraw/zinc/37/29/17/150372917.db2.gz HLYQEZASWQDCAL-IZBJGVDFSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000374526373 150372919 /nfs/dbraw/zinc/37/29/19/150372919.db2.gz HLYQEZASWQDCAL-IZBJGVDFSA-N 3 1 315.505 2.969 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351710541 286200025 /nfs/dbraw/zinc/20/00/25/286200025.db2.gz DIIUQUYKOAJGCI-UXHICEINSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351710541 286200026 /nfs/dbraw/zinc/20/00/26/286200026.db2.gz DIIUQUYKOAJGCI-UXHICEINSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351710541 286200027 /nfs/dbraw/zinc/20/00/27/286200027.db2.gz DIIUQUYKOAJGCI-UXHICEINSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351710541 286200028 /nfs/dbraw/zinc/20/00/28/286200028.db2.gz DIIUQUYKOAJGCI-UXHICEINSA-N 2 1 316.489 2.929 20 0 DFADMP CCc1ccc([C@@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000352104180 286292638 /nfs/dbraw/zinc/29/26/38/286292638.db2.gz UBEGPWZHBNLWJK-UYAOXDASSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000352104180 286292639 /nfs/dbraw/zinc/29/26/39/286292639.db2.gz UBEGPWZHBNLWJK-UYAOXDASSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000352104180 286292640 /nfs/dbraw/zinc/29/26/40/286292640.db2.gz UBEGPWZHBNLWJK-UYAOXDASSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000352104180 286292641 /nfs/dbraw/zinc/29/26/41/286292641.db2.gz UBEGPWZHBNLWJK-UYAOXDASSA-N 2 1 316.489 2.884 20 0 DFADMP C[N@H+]1CC[C@@H](NCC[C@H]2CCCC[NH+]2C)[C@@H]1c1ccccc1 ZINC000352099174 286291198 /nfs/dbraw/zinc/29/11/98/286291198.db2.gz FFPKZYGSSVJAKK-QRVBRYPASA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CC[C@@H](NCC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccccc1 ZINC000352099174 286291200 /nfs/dbraw/zinc/29/12/00/286291200.db2.gz FFPKZYGSSVJAKK-QRVBRYPASA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CC[C@@H](NCC[C@H]2CCCC[N@H+]2C)[C@@H]1c1ccccc1 ZINC000352099174 286291202 /nfs/dbraw/zinc/29/12/02/286291202.db2.gz FFPKZYGSSVJAKK-QRVBRYPASA-N 2 1 301.478 2.896 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000360897396 292255382 /nfs/dbraw/zinc/25/53/82/292255382.db2.gz MJRKKOJOPLBJTH-OIISXLGYSA-N 2 1 305.466 2.655 20 0 DFADMP CC[C@@H](C(=O)NCCC[NH+](C)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000352499106 286389354 /nfs/dbraw/zinc/38/93/54/286389354.db2.gz SKGYQMVKMVQHQT-SFHVURJKSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000352499106 286389356 /nfs/dbraw/zinc/38/93/56/286389356.db2.gz SKGYQMVKMVQHQT-SFHVURJKSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000352499106 286389358 /nfs/dbraw/zinc/38/93/58/286389358.db2.gz SKGYQMVKMVQHQT-SFHVURJKSA-N 2 1 319.493 2.744 20 0 DFADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352524517 286397814 /nfs/dbraw/zinc/39/78/14/286397814.db2.gz BPGQGSBUTDKIOS-HZPDHXFCSA-N 2 1 309.498 2.617 20 0 DFADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352746184 286456866 /nfs/dbraw/zinc/45/68/66/286456866.db2.gz AZHOSQONPWJKEU-LBPRGKRZSA-N 2 1 305.447 2.631 20 0 DFADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000185445000 158058319 /nfs/dbraw/zinc/05/83/19/158058319.db2.gz IPNLSFOGODASTI-WBVHZDCISA-N 2 1 307.507 2.911 20 0 DFADMP C[C@H](c1ccsc1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000185445000 158058321 /nfs/dbraw/zinc/05/83/21/158058321.db2.gz IPNLSFOGODASTI-WBVHZDCISA-N 2 1 307.507 2.911 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970027 158110527 /nfs/dbraw/zinc/11/05/27/158110527.db2.gz JAVDBZNPWXAVIW-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970027 158110529 /nfs/dbraw/zinc/11/05/29/158110529.db2.gz JAVDBZNPWXAVIW-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970027 158110531 /nfs/dbraw/zinc/11/05/31/158110531.db2.gz JAVDBZNPWXAVIW-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970027 158110533 /nfs/dbraw/zinc/11/05/33/158110533.db2.gz JAVDBZNPWXAVIW-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970027 158110534 /nfs/dbraw/zinc/11/05/34/158110534.db2.gz JAVDBZNPWXAVIW-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000247117694 158118850 /nfs/dbraw/zinc/11/88/50/158118850.db2.gz QZMFJDMNKARTOP-UKRRQHHQSA-N 2 1 319.449 2.646 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000247126915 158119525 /nfs/dbraw/zinc/11/95/25/158119525.db2.gz RKNVNTYAVAQOKA-QTCYRWPVSA-N 2 1 306.475 2.559 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247194427 158123374 /nfs/dbraw/zinc/12/33/74/158123374.db2.gz UPTUBLZILRVHAD-LUXYFRNMSA-N 2 1 306.450 2.781 20 0 DFADMP COCCC[C@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000361213717 292382085 /nfs/dbraw/zinc/38/20/85/292382085.db2.gz ASIFZZXYCBAOAV-INIZCTEOSA-N 2 1 312.498 2.815 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000247923380 158152103 /nfs/dbraw/zinc/15/21/03/158152103.db2.gz BJTBCAGLNZCNKU-ZACQAIPSSA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000247923380 158152105 /nfs/dbraw/zinc/15/21/05/158152105.db2.gz BJTBCAGLNZCNKU-ZACQAIPSSA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247930409 158152316 /nfs/dbraw/zinc/15/23/16/158152316.db2.gz BZZFSSJRFXYUAU-HOTGVXAUSA-N 2 1 306.450 2.583 20 0 DFADMP CC[C@@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961278 158153500 /nfs/dbraw/zinc/15/35/00/158153500.db2.gz GGAICTPKPXLIFT-OTWHNJEPSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247961278 158153503 /nfs/dbraw/zinc/15/35/03/158153503.db2.gz GGAICTPKPXLIFT-OTWHNJEPSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247961278 158153506 /nfs/dbraw/zinc/15/35/06/158153506.db2.gz GGAICTPKPXLIFT-OTWHNJEPSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)CC[C@H]21 ZINC000247974847 158155585 /nfs/dbraw/zinc/15/55/85/158155585.db2.gz KLTNDJSITCTUPZ-WMLDXEAASA-N 2 1 319.424 2.570 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(Cl)c3)CC[C@H]21 ZINC000248049298 158158661 /nfs/dbraw/zinc/15/86/61/158158661.db2.gz VXGSPSDEMASYNZ-OIISXLGYSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(Cl)c3)CC[C@H]21 ZINC000248049298 158158664 /nfs/dbraw/zinc/15/86/64/158158664.db2.gz VXGSPSDEMASYNZ-OIISXLGYSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(Cl)c3)CC[C@H]21 ZINC000248049298 158158666 /nfs/dbraw/zinc/15/86/66/158158666.db2.gz VXGSPSDEMASYNZ-OIISXLGYSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(Cl)c3)CC[C@H]21 ZINC000248049298 158158668 /nfs/dbraw/zinc/15/86/68/158158668.db2.gz VXGSPSDEMASYNZ-OIISXLGYSA-N 2 1 308.853 2.790 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccnc2)[C@H](C)C1 ZINC000248061227 158158688 /nfs/dbraw/zinc/15/86/88/158158688.db2.gz YNNIXIZUCIWJEW-NUJGCVRESA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccnc2)[C@H](C)C1 ZINC000248061227 158158689 /nfs/dbraw/zinc/15/86/89/158158689.db2.gz YNNIXIZUCIWJEW-NUJGCVRESA-N 2 1 305.466 2.869 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248137886 158161831 /nfs/dbraw/zinc/16/18/31/158161831.db2.gz PHWCMJPQBNJVOD-WMZOPIPTSA-N 2 1 320.477 2.973 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](C)Cc2ccccc2)CC1 ZINC000248601440 158188595 /nfs/dbraw/zinc/18/85/95/158188595.db2.gz VFQKRSMJBQNYQY-ROUUACIJSA-N 2 1 318.505 2.890 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)[C@@H](C)C1 ZINC000248640209 158192312 /nfs/dbraw/zinc/19/23/12/158192312.db2.gz NHZXGVJWJWHYCB-BARLLCKDSA-N 2 1 317.477 2.532 20 0 DFADMP Cc1ccc2[nH+]ccc(N3CC[NH+](Cc4cnn(C)c4)CC3)c2c1 ZINC000354601127 158238168 /nfs/dbraw/zinc/23/81/68/158238168.db2.gz VHQSORPPDUKKMV-UHFFFAOYSA-N 2 1 321.428 2.599 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2cc[nH]c21 ZINC000355209127 158298406 /nfs/dbraw/zinc/29/84/06/158298406.db2.gz QYXDZCZIMVFRNJ-KURKYZTESA-N 2 1 313.445 2.851 20 0 DFADMP Cc1cccc(C[NH+]2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000356863916 158316111 /nfs/dbraw/zinc/31/61/11/158316111.db2.gz WDJKBZDXAXASBC-HXUWFJFHSA-N 2 1 315.505 2.987 20 0 DFADMP CC[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CCO1 ZINC000357001444 158343555 /nfs/dbraw/zinc/34/35/55/158343555.db2.gz XSAUMFKGRRMBFA-RCCFBDPRSA-N 2 1 312.498 2.624 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC(C)C ZINC000357055437 158358094 /nfs/dbraw/zinc/35/80/94/158358094.db2.gz RJTQBFZVIKZLNU-HZPDHXFCSA-N 2 1 304.434 2.524 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC(C)C ZINC000357055437 158358096 /nfs/dbraw/zinc/35/80/96/158358096.db2.gz RJTQBFZVIKZLNU-HZPDHXFCSA-N 2 1 304.434 2.524 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](C)c2ccccc2Cl)CC1 ZINC000357059814 158358738 /nfs/dbraw/zinc/35/87/38/158358738.db2.gz AYNCMOCMXIGSSS-CYBMUJFWSA-N 2 1 323.868 2.591 20 0 DFADMP CCN(CC)C(=O)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357083921 158363032 /nfs/dbraw/zinc/36/30/32/158363032.db2.gz LJVNVXABKQDSGW-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000358344990 158372064 /nfs/dbraw/zinc/37/20/64/158372064.db2.gz MQVDKWFTNYJFIS-GPMSIDNRSA-N 2 1 316.493 2.537 20 0 DFADMP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000358344990 158372069 /nfs/dbraw/zinc/37/20/69/158372069.db2.gz MQVDKWFTNYJFIS-GPMSIDNRSA-N 2 1 316.493 2.537 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000358376796 158372875 /nfs/dbraw/zinc/37/28/75/158372875.db2.gz SULWTAPPARYECR-IIAWOOMASA-N 2 1 314.433 2.770 20 0 DFADMP CCO[C@@H](C)c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358506273 158382639 /nfs/dbraw/zinc/38/26/39/158382639.db2.gz LKBFSODFQYWWPC-ZDUSSCGKSA-N 2 1 309.479 2.816 20 0 DFADMP CCO[C@@H](C)c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358506273 158382641 /nfs/dbraw/zinc/38/26/41/158382641.db2.gz LKBFSODFQYWWPC-ZDUSSCGKSA-N 2 1 309.479 2.816 20 0 DFADMP CSc1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358506360 158383445 /nfs/dbraw/zinc/38/34/45/158383445.db2.gz JNOZZMZGRLSWPK-UHFFFAOYSA-N 2 1 306.475 2.863 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccsc1)[NH+](CC)CC ZINC000358589784 158391713 /nfs/dbraw/zinc/39/17/13/158391713.db2.gz KVJKOOWYMKINLE-OAHLLOKOSA-N 2 1 311.495 2.589 20 0 DFADMP C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C[NH+]1CCCCC1 ZINC000440805784 297165897 /nfs/dbraw/zinc/16/58/97/297165897.db2.gz FGJXNECPBKTJGP-NSHDSACASA-N 2 1 304.360 2.640 20 0 DFADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430947870 296814297 /nfs/dbraw/zinc/81/42/97/296814297.db2.gz CPZAKYROYVRRKN-CHWSQXEVSA-N 2 1 321.490 2.795 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@@H]1n1cccn1 ZINC000128985050 196009503 /nfs/dbraw/zinc/00/95/03/196009503.db2.gz GTPQGZXKSKXPFR-IRXDYDNUSA-N 2 1 301.438 2.942 20 0 DFADMP COc1cccc(OCC[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129592815 196060369 /nfs/dbraw/zinc/06/03/69/196060369.db2.gz WSIWOOWBZWUVPJ-QAPCUYQASA-N 2 1 315.417 2.854 20 0 DFADMP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000131462148 196170834 /nfs/dbraw/zinc/17/08/34/196170834.db2.gz SZDBTQHVQTZINZ-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000131462148 196170836 /nfs/dbraw/zinc/17/08/36/196170836.db2.gz SZDBTQHVQTZINZ-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000132314555 196244246 /nfs/dbraw/zinc/24/42/46/196244246.db2.gz AGTOYYZJPPJMLE-ICSRJNTNSA-N 2 1 315.505 2.577 20 0 DFADMP [NH3+]Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000132821311 196287285 /nfs/dbraw/zinc/28/72/85/196287285.db2.gz WKTBCTWDAYDQOF-IBGZPJMESA-N 2 1 323.440 2.540 20 0 DFADMP Cc1cc(N(CC[NH+](C)C)Cc2ccccc2F)nc(C)[nH+]1 ZINC000133321437 196329215 /nfs/dbraw/zinc/32/92/15/196329215.db2.gz FDPOTFALZFGDLK-UHFFFAOYSA-N 2 1 302.397 2.801 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261765167 287273852 /nfs/dbraw/zinc/27/38/52/287273852.db2.gz NXHJFKRXDKXPBR-ZJPYXAASSA-N 2 1 321.509 2.617 20 0 DFADMP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000133908031 196345679 /nfs/dbraw/zinc/34/56/79/196345679.db2.gz VJCZKXFGLDFVQN-RDJZCZTQSA-N 2 1 320.477 2.956 20 0 DFADMP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000134021146 196354090 /nfs/dbraw/zinc/35/40/90/196354090.db2.gz ZSASUATUWNNQSX-UHOSZYNNSA-N 2 1 303.494 2.999 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCCNC2=O)cc1 ZINC000134085711 196360079 /nfs/dbraw/zinc/36/00/79/196360079.db2.gz WPRIQDONHLZABC-DYVFJYSZSA-N 2 1 312.417 2.500 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000134138581 196365202 /nfs/dbraw/zinc/36/52/02/196365202.db2.gz QMLLMNWKHNCOEB-OAGGEKHMSA-N 2 1 307.507 2.957 20 0 DFADMP c1nc2n(c1CN1CCC[N@H+](CC3CCCCC3)CC1)CCC2 ZINC000667534580 543624356 /nfs/dbraw/zinc/62/43/56/543624356.db2.gz FLGKHWAYQMWQEZ-UHFFFAOYSA-N 2 1 316.493 2.917 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccnn2CC2CC2)CC1 ZINC000667534834 543624934 /nfs/dbraw/zinc/62/49/34/543624934.db2.gz MQNFOYHMBWASFE-UHFFFAOYSA-N 2 1 304.482 2.845 20 0 DFADMP Cc1ncc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C ZINC000667561413 543631001 /nfs/dbraw/zinc/63/10/01/543631001.db2.gz WEYUEMASYSIUKH-WBVHZDCISA-N 2 1 304.482 2.815 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1C ZINC000667561413 543631004 /nfs/dbraw/zinc/63/10/04/543631004.db2.gz WEYUEMASYSIUKH-WBVHZDCISA-N 2 1 304.482 2.815 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C ZINC000667561413 543631007 /nfs/dbraw/zinc/63/10/07/543631007.db2.gz WEYUEMASYSIUKH-WBVHZDCISA-N 2 1 304.482 2.815 20 0 DFADMP CCOc1ccc(CN2CCC([N@@H+](C)C[C@H](C)O)CC2)c(C)c1 ZINC000667611480 543640816 /nfs/dbraw/zinc/64/08/16/543640816.db2.gz PTJSRVJYINZBJB-INIZCTEOSA-N 2 1 320.477 2.671 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667728671 543668134 /nfs/dbraw/zinc/66/81/34/543668134.db2.gz XROIYRBEUGFDKP-MRXNPFEDSA-N 2 1 304.438 2.531 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731026 543668463 /nfs/dbraw/zinc/66/84/63/543668463.db2.gz JUHWWVWRGRKSSZ-CQSZACIVSA-N 2 1 318.465 2.777 20 0 DFADMP C[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCCC[C@@H]1C ZINC000667730831 543668518 /nfs/dbraw/zinc/66/85/18/543668518.db2.gz BVLSDZHXTAFDII-KBPBESRZSA-N 2 1 304.438 2.530 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668063308 543731944 /nfs/dbraw/zinc/73/19/44/543731944.db2.gz JLEBNKQXCAMEHN-MJGOQNOKSA-N 2 1 318.461 2.770 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668063308 543731947 /nfs/dbraw/zinc/73/19/47/543731947.db2.gz JLEBNKQXCAMEHN-MJGOQNOKSA-N 2 1 318.461 2.770 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccn3cc(C)nc3c2)C[C@@H]1C ZINC000668158626 543753828 /nfs/dbraw/zinc/75/38/28/543753828.db2.gz ZBOVVWKOEQOOCX-KBPBESRZSA-N 2 1 315.421 2.589 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1c(C2CC2)cnn1C ZINC000668169265 543757987 /nfs/dbraw/zinc/75/79/87/543757987.db2.gz LXYOXMLAUQOAPX-UHFFFAOYSA-N 2 1 315.465 2.969 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000668317128 543791606 /nfs/dbraw/zinc/79/16/06/543791606.db2.gz CFCWEOOCPGJGCL-MSOLQXFVSA-N 2 1 318.465 2.510 20 0 DFADMP C[C@@]12C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000668211946 543768793 /nfs/dbraw/zinc/76/87/93/543768793.db2.gz RXUBQYQHWBYMQS-PDWMJMLSSA-N 2 1 306.413 2.911 20 0 DFADMP C[C@@]12C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000668211946 543768794 /nfs/dbraw/zinc/76/87/94/543768794.db2.gz RXUBQYQHWBYMQS-PDWMJMLSSA-N 2 1 306.413 2.911 20 0 DFADMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000668225026 543771729 /nfs/dbraw/zinc/77/17/29/543771729.db2.gz CFZRGSCTYUZRLS-SJORKVTESA-N 2 1 312.417 2.657 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C2([C@H](C)O)CC2)CC1 ZINC000668700889 543848252 /nfs/dbraw/zinc/84/82/52/543848252.db2.gz NDAIKVZOUIUAPL-CVEARBPZSA-N 2 1 302.462 2.585 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000668784298 543866868 /nfs/dbraw/zinc/86/68/68/543866868.db2.gz ARORXZBNVZNVIZ-LKIHTYOGSA-N 2 1 306.425 2.882 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000668784298 543866869 /nfs/dbraw/zinc/86/68/69/543866869.db2.gz ARORXZBNVZNVIZ-LKIHTYOGSA-N 2 1 306.425 2.882 20 0 DFADMP FC(F)[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000671685498 544097526 /nfs/dbraw/zinc/09/75/26/544097526.db2.gz HAJOPMVPNIMKMF-INIZCTEOSA-N 2 1 323.431 2.786 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000671728872 544103758 /nfs/dbraw/zinc/10/37/58/544103758.db2.gz VGSYWKGCWHFFIA-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000671728872 544103760 /nfs/dbraw/zinc/10/37/60/544103760.db2.gz VGSYWKGCWHFFIA-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000671741505 544105476 /nfs/dbraw/zinc/10/54/76/544105476.db2.gz LCKKRXIDCHPBAX-BBWFWOEESA-N 2 1 303.450 2.831 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000671741505 544105479 /nfs/dbraw/zinc/10/54/79/544105479.db2.gz LCKKRXIDCHPBAX-BBWFWOEESA-N 2 1 303.450 2.831 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671743970 544105498 /nfs/dbraw/zinc/10/54/98/544105498.db2.gz KAVARJIRPOMHFU-BJLQDIEVSA-N 2 1 313.489 2.902 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000672619128 544143746 /nfs/dbraw/zinc/14/37/46/544143746.db2.gz JEJNDFSKGJAWDO-LXZKKBNFSA-N 2 1 310.869 2.736 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000672619019 544143857 /nfs/dbraw/zinc/14/38/57/544143857.db2.gz HYJFQXGLFMEZMG-BHYGNILZSA-N 2 1 308.853 2.632 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000672987679 544163665 /nfs/dbraw/zinc/16/36/65/544163665.db2.gz GZUIGWWYIRJQPV-KURKYZTESA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000672987679 544163666 /nfs/dbraw/zinc/16/36/66/544163666.db2.gz GZUIGWWYIRJQPV-KURKYZTESA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000672987679 544163668 /nfs/dbraw/zinc/16/36/68/544163668.db2.gz GZUIGWWYIRJQPV-KURKYZTESA-N 2 1 321.509 2.726 20 0 DFADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000673156180 544170759 /nfs/dbraw/zinc/17/07/59/544170759.db2.gz RDTZYOUKQVMHLQ-NXHRZFHOSA-N 2 1 317.477 2.587 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290911533 222015284 /nfs/dbraw/zinc/01/52/84/222015284.db2.gz PJYGIDJNZCOMMX-GASCZTMLSA-N 2 1 315.465 2.806 20 0 DFADMP C[C@H](CC[NH2+]Cc1c[nH]c2nccnc12)[N@@H+](C)Cc1ccccc1 ZINC000290977846 222045362 /nfs/dbraw/zinc/04/53/62/222045362.db2.gz YGIYAHUNLLFDFA-OAHLLOKOSA-N 2 1 323.444 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2CC)o1 ZINC000673800767 544198856 /nfs/dbraw/zinc/19/88/56/544198856.db2.gz AEQQRHQQTJCAQS-HNNXBMFYSA-N 2 1 321.465 2.678 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H](C)C1 ZINC000291210833 222226170 /nfs/dbraw/zinc/22/61/70/222226170.db2.gz MSMYZRXVYRYQQJ-BQFCYCMXSA-N 2 1 319.468 2.972 20 0 DFADMP COCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000291250934 222257637 /nfs/dbraw/zinc/25/76/37/222257637.db2.gz VYFMAAYPNKXPOS-UHFFFAOYSA-N 2 1 302.462 2.852 20 0 DFADMP COC(=O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291447355 222395811 /nfs/dbraw/zinc/39/58/11/222395811.db2.gz LNISMXCIGSOKOT-UHFFFAOYSA-N 2 1 316.445 2.538 20 0 DFADMP COc1cccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000297426488 227149627 /nfs/dbraw/zinc/14/96/27/227149627.db2.gz MUXXFDHMQHHREG-UHFFFAOYSA-N 2 1 300.446 2.943 20 0 DFADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674094529 544220132 /nfs/dbraw/zinc/22/01/32/544220132.db2.gz OXMCEDLOPLXDJU-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000674245083 544226342 /nfs/dbraw/zinc/22/63/42/544226342.db2.gz BIBSTKAUMACIKG-BBRMVZONSA-N 2 1 323.868 2.543 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000674375187 544237182 /nfs/dbraw/zinc/23/71/82/544237182.db2.gz AGNZJFXSWIIGPY-HNNXBMFYSA-N 2 1 306.450 2.832 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000674375188 544237193 /nfs/dbraw/zinc/23/71/93/544237193.db2.gz AGNZJFXSWIIGPY-OAHLLOKOSA-N 2 1 306.450 2.832 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2C[N@@H+](CC)C[C@H]2C)cc1 ZINC000674824588 544264209 /nfs/dbraw/zinc/26/42/09/544264209.db2.gz AJSWOOQQHZPZGY-CRAIPNDOSA-N 2 1 317.477 2.598 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000674877295 544272607 /nfs/dbraw/zinc/27/26/07/544272607.db2.gz OVCJMEBNRPJGGC-AAEUAGOBSA-N 2 1 314.376 2.726 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000674881180 544272858 /nfs/dbraw/zinc/27/28/58/544272858.db2.gz YPSUUOJRIXKQNF-GDBMZVCRSA-N 2 1 304.434 2.983 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000674881180 544272860 /nfs/dbraw/zinc/27/28/60/544272860.db2.gz YPSUUOJRIXKQNF-GDBMZVCRSA-N 2 1 304.434 2.983 20 0 DFADMP C[NH+](C)CCOC1CC[NH+](Cc2nc3cc(F)ccc3o2)CC1 ZINC000674909016 544275974 /nfs/dbraw/zinc/27/59/74/544275974.db2.gz VUJJXLMXGBVNSN-UHFFFAOYSA-N 2 1 321.396 2.510 20 0 DFADMP CCC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000675131064 544286284 /nfs/dbraw/zinc/28/62/84/544286284.db2.gz GFAGEDJLFUPUIX-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000675131064 544286286 /nfs/dbraw/zinc/28/62/86/544286286.db2.gz GFAGEDJLFUPUIX-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000675131064 544286289 /nfs/dbraw/zinc/28/62/89/544286289.db2.gz GFAGEDJLFUPUIX-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000675131064 544286291 /nfs/dbraw/zinc/28/62/91/544286291.db2.gz GFAGEDJLFUPUIX-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297574864 227321417 /nfs/dbraw/zinc/32/14/17/227321417.db2.gz HZWUXTQOZRJITK-IFXJQAMLSA-N 2 1 318.461 2.988 20 0 DFADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000442873027 297208869 /nfs/dbraw/zinc/20/88/69/297208869.db2.gz KLLAJLSQHWOBTI-QGZVFWFLSA-N 2 1 307.457 2.892 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681394919 545637557 /nfs/dbraw/zinc/63/75/57/545637557.db2.gz XIQBLJNWJPGUTO-KFKAGJAMSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[C@H](C)CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000676904986 544413922 /nfs/dbraw/zinc/41/39/22/544413922.db2.gz OKWJHKMNHNHXFK-LMMKCTJWSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](C)CC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000676904986 544413923 /nfs/dbraw/zinc/41/39/23/544413923.db2.gz OKWJHKMNHNHXFK-LMMKCTJWSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](C)CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000676904986 544413924 /nfs/dbraw/zinc/41/39/24/544413924.db2.gz OKWJHKMNHNHXFK-LMMKCTJWSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](C)CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000676904986 544413926 /nfs/dbraw/zinc/41/39/26/544413926.db2.gz OKWJHKMNHNHXFK-LMMKCTJWSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904988 544414083 /nfs/dbraw/zinc/41/40/83/544414083.db2.gz OKWJHKMNHNHXFK-ZIFCJYIRSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904988 544414086 /nfs/dbraw/zinc/41/40/86/544414086.db2.gz OKWJHKMNHNHXFK-ZIFCJYIRSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904988 544414087 /nfs/dbraw/zinc/41/40/87/544414087.db2.gz OKWJHKMNHNHXFK-ZIFCJYIRSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904988 544414090 /nfs/dbraw/zinc/41/40/90/544414090.db2.gz OKWJHKMNHNHXFK-ZIFCJYIRSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](C2CC2)C1 ZINC000677040266 544425013 /nfs/dbraw/zinc/42/50/13/544425013.db2.gz GFUCVXUXROYUJO-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](C2CC2)C1 ZINC000677040266 544425017 /nfs/dbraw/zinc/42/50/17/544425017.db2.gz GFUCVXUXROYUJO-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000677040266 544425021 /nfs/dbraw/zinc/42/50/21/544425021.db2.gz GFUCVXUXROYUJO-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000677040266 544425025 /nfs/dbraw/zinc/42/50/25/544425025.db2.gz GFUCVXUXROYUJO-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000677131351 544438265 /nfs/dbraw/zinc/43/82/65/544438265.db2.gz QUNGAJMVHFCZIU-KBXCAEBGSA-N 2 1 324.415 2.779 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2ccn(C)n2)C[N@H+]1Cc1ccccc1 ZINC000677129233 544438434 /nfs/dbraw/zinc/43/84/34/544438434.db2.gz OMJTVSLJHOZJQN-FUHWJXTLSA-N 2 1 312.461 2.810 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCO2 ZINC000677238246 544457359 /nfs/dbraw/zinc/45/73/59/544457359.db2.gz ZTGIMOSBJNEWRT-CVEARBPZSA-N 2 1 316.445 2.909 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000677818557 544545687 /nfs/dbraw/zinc/54/56/87/544545687.db2.gz RMKXJGFUFXJJRQ-HDICACEKSA-N 2 1 310.445 2.650 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000677818557 544545692 /nfs/dbraw/zinc/54/56/92/544545692.db2.gz RMKXJGFUFXJJRQ-HDICACEKSA-N 2 1 310.445 2.650 20 0 DFADMP CC[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000678258765 544635005 /nfs/dbraw/zinc/63/50/05/544635005.db2.gz MQAFYBPPYBCRSO-ICSRJNTNSA-N 2 1 315.505 2.892 20 0 DFADMP Clc1cscc1C[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000678139394 544609226 /nfs/dbraw/zinc/60/92/26/544609226.db2.gz XPOWLFAKAGSUPN-UHFFFAOYSA-N 2 1 314.882 2.946 20 0 DFADMP CCc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000678258872 544635232 /nfs/dbraw/zinc/63/52/32/544635232.db2.gz QJQXDDUVMXZTMY-HNNXBMFYSA-N 2 1 307.507 2.522 20 0 DFADMP CCc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000678258872 544635235 /nfs/dbraw/zinc/63/52/35/544635235.db2.gz QJQXDDUVMXZTMY-HNNXBMFYSA-N 2 1 307.507 2.522 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)CO1 ZINC000678153875 544611841 /nfs/dbraw/zinc/61/18/41/544611841.db2.gz UHJSMAYGQOJYPR-DLBZAZTESA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)CO1 ZINC000678153875 544611846 /nfs/dbraw/zinc/61/18/46/544611846.db2.gz UHJSMAYGQOJYPR-DLBZAZTESA-N 2 1 318.461 2.770 20 0 DFADMP CC[C@H](C)Oc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000678343022 544655938 /nfs/dbraw/zinc/65/59/38/544655938.db2.gz KOUIIRHWNOAJSZ-BPUTZDHNSA-N 2 1 304.434 2.524 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)n1 ZINC000678422650 544670510 /nfs/dbraw/zinc/67/05/10/544670510.db2.gz NKQJJDKIFWEDRI-DOTOQJQBSA-N 2 1 305.466 2.586 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1-n1cncn1 ZINC000678279191 544643186 /nfs/dbraw/zinc/64/31/86/544643186.db2.gz KZZOTQVCZGCCRO-KRWDZBQOSA-N 2 1 313.449 2.574 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccccc1-n1cncn1 ZINC000678279191 544643189 /nfs/dbraw/zinc/64/31/89/544643189.db2.gz KZZOTQVCZGCCRO-KRWDZBQOSA-N 2 1 313.449 2.574 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccccc1-n1cncn1 ZINC000678279191 544643197 /nfs/dbraw/zinc/64/31/97/544643197.db2.gz KZZOTQVCZGCCRO-KRWDZBQOSA-N 2 1 313.449 2.574 20 0 DFADMP OC[C@H](CC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000678606098 544701104 /nfs/dbraw/zinc/70/11/04/544701104.db2.gz GSPIFWKKACJGMV-SEBOWIOWSA-N 2 1 314.473 2.933 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@@H]1OC ZINC000678928922 544751227 /nfs/dbraw/zinc/75/12/27/544751227.db2.gz ZWCKLZNAHMMWPD-KURKYZTESA-N 2 1 324.509 2.813 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000678932864 544751567 /nfs/dbraw/zinc/75/15/67/544751567.db2.gz ZONPJHNSZIDIIF-MOPGFXCFSA-N 2 1 302.462 2.759 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nccn3C2)CC[N@@H+]1Cc1ccccc1 ZINC000679024932 544769853 /nfs/dbraw/zinc/76/98/53/544769853.db2.gz FTCZGBGROOZADP-BHIYHBOVSA-N 2 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nccn3C2)CC[N@H+]1Cc1ccccc1 ZINC000679024932 544769858 /nfs/dbraw/zinc/76/98/58/544769858.db2.gz FTCZGBGROOZADP-BHIYHBOVSA-N 2 1 324.472 2.841 20 0 DFADMP Cc1cc([C@@H]([NH2+]C2CC[NH+](CCO)CC2)C2CC2)ccc1F ZINC000679036929 544772354 /nfs/dbraw/zinc/77/23/54/544772354.db2.gz OVCWHIVKBAMCAG-SFHVURJKSA-N 2 1 306.425 2.632 20 0 DFADMP CCC[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679039240 544773270 /nfs/dbraw/zinc/77/32/70/544773270.db2.gz ZLHWMDNTKHNQGT-SFHVURJKSA-N 2 1 304.478 2.834 20 0 DFADMP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679038573 544773908 /nfs/dbraw/zinc/77/39/08/544773908.db2.gz OBGNAHIMPVZNDR-LJQANCHMSA-N 2 1 304.478 2.690 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1F ZINC000299732741 229368410 /nfs/dbraw/zinc/36/84/10/229368410.db2.gz XYGQPTLWDRFABX-UHFFFAOYSA-N 2 1 318.396 2.681 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1F ZINC000299732741 229368414 /nfs/dbraw/zinc/36/84/14/229368414.db2.gz XYGQPTLWDRFABX-UHFFFAOYSA-N 2 1 318.396 2.681 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCCCO)CC2)oc1C ZINC000679341723 544838020 /nfs/dbraw/zinc/83/80/20/544838020.db2.gz VVDKRXSKYPVUSC-CQSZACIVSA-N 2 1 323.481 2.644 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000679393871 544847873 /nfs/dbraw/zinc/84/78/73/544847873.db2.gz RNNDDZLWGSWEDT-GOSISDBHSA-N 2 1 318.436 2.808 20 0 DFADMP CO[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953311 544933232 /nfs/dbraw/zinc/93/32/32/544933232.db2.gz ICLZLBCFOLQHQY-FEFURNDJSA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000679953311 544933235 /nfs/dbraw/zinc/93/32/35/544933235.db2.gz ICLZLBCFOLQHQY-FEFURNDJSA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000679953311 544933239 /nfs/dbraw/zinc/93/32/39/544933239.db2.gz ICLZLBCFOLQHQY-FEFURNDJSA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000680004033 544941903 /nfs/dbraw/zinc/94/19/03/544941903.db2.gz VSILNMXDBNOGJV-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](OC(F)F)C1 ZINC000680334172 544992596 /nfs/dbraw/zinc/99/25/96/544992596.db2.gz JENRHSYYXSXMGK-OAHLLOKOSA-N 2 1 322.359 2.779 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](OC(F)F)C1 ZINC000680334172 544992600 /nfs/dbraw/zinc/99/26/00/544992600.db2.gz JENRHSYYXSXMGK-OAHLLOKOSA-N 2 1 322.359 2.779 20 0 DFADMP C[C@H]([NH2+]CCCc1cnn(C)c1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000680401423 545004836 /nfs/dbraw/zinc/00/48/36/545004836.db2.gz ZCVLUJUAJVNOTC-RDJZCZTQSA-N 2 1 304.482 2.595 20 0 DFADMP CCc1cc(NC[C@H](C)N2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000124499381 425922813 /nfs/dbraw/zinc/92/28/13/425922813.db2.gz UWQWXHSWRZPBPH-HNNXBMFYSA-N 2 1 312.461 2.845 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000124540651 425925329 /nfs/dbraw/zinc/92/53/29/425925329.db2.gz WFJILQPSMPAKAZ-OAHLLOKOSA-N 2 1 307.482 2.766 20 0 DFADMP CC(C)[N@@H+](C)CCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000155757212 425926537 /nfs/dbraw/zinc/92/65/37/425926537.db2.gz URAXQBWULKRRPB-UHFFFAOYSA-N 2 1 321.484 2.762 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000155757295 425927007 /nfs/dbraw/zinc/92/70/07/425927007.db2.gz AQYCRVUCXZJIBU-XRGAULLZSA-N 2 1 323.506 2.621 20 0 DFADMP CCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124614788 425928393 /nfs/dbraw/zinc/92/83/93/425928393.db2.gz UEHGMPGRGJIOEY-SJORKVTESA-N 2 1 309.498 2.582 20 0 DFADMP CCCCC(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124613977 425929171 /nfs/dbraw/zinc/92/91/71/425929171.db2.gz IIEUBUBSLODNKV-MSOLQXFVSA-N 2 1 323.525 2.972 20 0 DFADMP CCCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124613525 425929242 /nfs/dbraw/zinc/92/92/42/425929242.db2.gz IIEUBUBSLODNKV-ZWKOTPCHSA-N 2 1 323.525 2.972 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(C)o2)CC1 ZINC000042911952 425854040 /nfs/dbraw/zinc/85/40/40/425854040.db2.gz JKTYHYZMCPKNTB-UHFFFAOYSA-N 2 1 302.422 2.942 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC(C)(C)CC ZINC000191501204 268003724 /nfs/dbraw/zinc/00/37/24/268003724.db2.gz YAWVIHWILHEGJK-OAHLLOKOSA-N 2 1 322.497 2.851 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)CC ZINC000191501204 268003726 /nfs/dbraw/zinc/00/37/26/268003726.db2.gz YAWVIHWILHEGJK-OAHLLOKOSA-N 2 1 322.497 2.851 20 0 DFADMP CCCn1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192919828 268054245 /nfs/dbraw/zinc/05/42/45/268054245.db2.gz GSBYGCYMOHDGRI-GOSISDBHSA-N 2 1 312.461 2.905 20 0 DFADMP CCCn1cc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192919828 268054247 /nfs/dbraw/zinc/05/42/47/268054247.db2.gz GSBYGCYMOHDGRI-GOSISDBHSA-N 2 1 312.461 2.905 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)c1ccnn1C)[N@H+](C)Cc1ccccc1 ZINC000192924194 268054322 /nfs/dbraw/zinc/05/43/22/268054322.db2.gz WVBDMVTVLQZIPZ-HOTGVXAUSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)c1ccnn1C)[N@@H+](C)Cc1ccccc1 ZINC000192924194 268054325 /nfs/dbraw/zinc/05/43/25/268054325.db2.gz WVBDMVTVLQZIPZ-HOTGVXAUSA-N 2 1 300.450 2.981 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193003429 268057217 /nfs/dbraw/zinc/05/72/17/268057217.db2.gz JFFIRKOUCALHMC-UHFFFAOYSA-N 2 1 315.914 2.909 20 0 DFADMP C[N@@H+](CC1CC[NH2+]CC1)C1CCN(Cc2ccccc2)CC1 ZINC000237187734 268155264 /nfs/dbraw/zinc/15/52/64/268155264.db2.gz WVAPVWVMCJWJTN-UHFFFAOYSA-N 3 1 301.478 2.582 20 0 DFADMP C[N@H+](CC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000237187734 268155267 /nfs/dbraw/zinc/15/52/67/268155267.db2.gz WVAPVWVMCJWJTN-UHFFFAOYSA-N 3 1 301.478 2.582 20 0 DFADMP C[N@@H+](CC1CC[NH2+]CC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000237187734 268155271 /nfs/dbraw/zinc/15/52/71/268155271.db2.gz WVAPVWVMCJWJTN-UHFFFAOYSA-N 3 1 301.478 2.582 20 0 DFADMP C[C@H](CC(N)=O)[NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000267258830 268180282 /nfs/dbraw/zinc/18/02/82/268180282.db2.gz PUBRSUCDUCTRME-OWCLPIDISA-N 2 1 317.477 2.518 20 0 DFADMP COCC[N@H+](CCCn1cc[nH+]c1C)CCc1ccccc1 ZINC000270630128 268193390 /nfs/dbraw/zinc/19/33/90/268193390.db2.gz LNJCUPDHQDLJCI-UHFFFAOYSA-N 2 1 301.434 2.773 20 0 DFADMP COCC[N@@H+](CCCn1cc[nH+]c1C)CCc1ccccc1 ZINC000270630128 268193393 /nfs/dbraw/zinc/19/33/93/268193393.db2.gz LNJCUPDHQDLJCI-UHFFFAOYSA-N 2 1 301.434 2.773 20 0 DFADMP COc1cc(C[N@H+](CCn2cc[nH+]c2C)C2CC2)ccc1O ZINC000270927256 268236717 /nfs/dbraw/zinc/23/67/17/268236717.db2.gz WDTACHZEJFJGSZ-UHFFFAOYSA-N 2 1 301.390 2.570 20 0 DFADMP COc1cc(C[N@@H+](CCn2cc[nH+]c2C)C2CC2)ccc1O ZINC000270927256 268236719 /nfs/dbraw/zinc/23/67/19/268236719.db2.gz WDTACHZEJFJGSZ-UHFFFAOYSA-N 2 1 301.390 2.570 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000271449293 268249265 /nfs/dbraw/zinc/24/92/65/268249265.db2.gz DHALJMZNHCPHHV-RZAIGCCYSA-N 2 1 324.415 2.993 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1O ZINC000277357224 268264902 /nfs/dbraw/zinc/26/49/02/268264902.db2.gz ZKKFQHGGHXSMRG-AWEZNQCLSA-N 2 1 318.461 2.938 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000300203626 268320964 /nfs/dbraw/zinc/32/09/64/268320964.db2.gz JRODXNCWKOBUKK-KBXIAJHMSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000300203626 268320965 /nfs/dbraw/zinc/32/09/65/268320965.db2.gz JRODXNCWKOBUKK-KBXIAJHMSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@@H](CC[NH2+]C[C@@H](O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000307935314 268334648 /nfs/dbraw/zinc/33/46/48/268334648.db2.gz DRVKMASVQNXIFG-ZFWWWQNUSA-N 2 1 318.383 2.800 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313696319 268340522 /nfs/dbraw/zinc/34/05/22/268340522.db2.gz IJWCNTCQSSYWKH-IUODEOHRSA-N 2 1 311.267 2.921 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)COCc1ccccc1 ZINC000314888795 268342340 /nfs/dbraw/zinc/34/23/40/268342340.db2.gz MHBLQVNPTDZTMV-UHFFFAOYSA-N 2 1 301.434 2.938 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC(F)F ZINC000319282841 268346117 /nfs/dbraw/zinc/34/61/17/268346117.db2.gz GJAHLTGKEVBHEZ-BDJLRTHQSA-N 2 1 314.376 2.713 20 0 DFADMP Cc1nn2c(C[NH2+][C@H]3CC[NH2+]CC3(C)C)c(C(C)C)nc2s1 ZINC000333107299 268374902 /nfs/dbraw/zinc/37/49/02/268374902.db2.gz FVWXJLWTFIJSNU-ZDUSSCGKSA-N 2 1 321.494 2.700 20 0 DFADMP COc1cc2c(cc1OC)C[N@H+](CCCn1cc[nH+]c1C)CC2 ZINC000124829460 425940165 /nfs/dbraw/zinc/94/01/65/425940165.db2.gz LJOMKCSATUFTJV-UHFFFAOYSA-N 2 1 315.417 2.657 20 0 DFADMP COc1cc2c(cc1OC)C[N@@H+](CCCn1cc[nH+]c1C)CC2 ZINC000124829460 425940166 /nfs/dbraw/zinc/94/01/66/425940166.db2.gz LJOMKCSATUFTJV-UHFFFAOYSA-N 2 1 315.417 2.657 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000157955867 425940597 /nfs/dbraw/zinc/94/05/97/425940597.db2.gz SHULJKMBWNCRDH-NVXWUHKLSA-N 2 1 304.482 2.899 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000158689786 425946112 /nfs/dbraw/zinc/94/61/12/425946112.db2.gz SGCKKAIPFFCCIE-BFYDXBDKSA-N 2 1 304.482 2.755 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000124942487 425946589 /nfs/dbraw/zinc/94/65/89/425946589.db2.gz HOWRNECEOPGQAJ-UHFFFAOYSA-N 2 1 322.453 2.571 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000158976079 425951022 /nfs/dbraw/zinc/95/10/22/425951022.db2.gz POFFPQKQUWZYJX-QZTJIDSGSA-N 2 1 308.441 2.959 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnc4ccccn34)C2)[nH+]1 ZINC000159250056 425957951 /nfs/dbraw/zinc/95/79/51/425957951.db2.gz UPJZQOPWEXCBSI-MRXNPFEDSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)[nH+]1 ZINC000159250056 425957953 /nfs/dbraw/zinc/95/79/53/425957953.db2.gz UPJZQOPWEXCBSI-MRXNPFEDSA-N 2 1 321.428 2.972 20 0 DFADMP CC[C@H](C)[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000104966858 425966517 /nfs/dbraw/zinc/96/65/17/425966517.db2.gz VGWBHPJHWUPICO-GJZGRUSLSA-N 2 1 321.509 2.628 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000070189684 425970374 /nfs/dbraw/zinc/97/03/74/425970374.db2.gz GLQPPWPHCIRRRX-UHFFFAOYSA-N 2 1 309.841 2.600 20 0 DFADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)[C@@H]1C[NH3+] ZINC000070178072 425970448 /nfs/dbraw/zinc/97/04/48/425970448.db2.gz WQUFBGNZZREOSG-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@@H]1C[NH3+] ZINC000070178072 425970451 /nfs/dbraw/zinc/97/04/51/425970451.db2.gz WQUFBGNZZREOSG-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000125459268 425972867 /nfs/dbraw/zinc/97/28/67/425972867.db2.gz UXOMURLBYJSYAT-UHFFFAOYSA-N 2 1 316.424 2.933 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc2c(c1)OCO2 ZINC000125454427 425973348 /nfs/dbraw/zinc/97/33/48/425973348.db2.gz VRKYBSLPNKIKBS-UHFFFAOYSA-N 2 1 301.390 2.832 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc2c(c1)OCO2 ZINC000125454427 425973350 /nfs/dbraw/zinc/97/33/50/425973350.db2.gz VRKYBSLPNKIKBS-UHFFFAOYSA-N 2 1 301.390 2.832 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCN(Cc2ccccc2Cl)CC1 ZINC000125560160 425979627 /nfs/dbraw/zinc/97/96/27/425979627.db2.gz OVUZDRCWQZEYHF-KRWDZBQOSA-N 2 1 321.896 2.942 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCOC3)CC2)cs1 ZINC000161708098 426035432 /nfs/dbraw/zinc/03/54/32/426035432.db2.gz PGZWHKMEGXFDAY-BBRMVZONSA-N 2 1 323.506 2.678 20 0 DFADMP C[C@@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000126778848 426036504 /nfs/dbraw/zinc/03/65/04/426036504.db2.gz UCNOTZWNIBKUGT-XHSDSOJGSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000126792911 426036596 /nfs/dbraw/zinc/03/65/96/426036596.db2.gz NCTIZUSWRQWTFO-JYJNAYRXSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000126792911 426036599 /nfs/dbraw/zinc/03/65/99/426036599.db2.gz NCTIZUSWRQWTFO-JYJNAYRXSA-N 2 1 308.491 2.975 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000074219507 426044184 /nfs/dbraw/zinc/04/41/84/426044184.db2.gz BMDLTFLXXMAPPQ-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000074219507 426044187 /nfs/dbraw/zinc/04/41/87/426044187.db2.gz BMDLTFLXXMAPPQ-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP CN(CCC[NH+]1CCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000162102396 426051705 /nfs/dbraw/zinc/05/17/05/426051705.db2.gz XCXBYMBNYUFCCX-FQEVSTJZSA-N 3 1 315.505 2.926 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCOC2)CC1 ZINC000162134481 426053741 /nfs/dbraw/zinc/05/37/41/426053741.db2.gz GCGBZAZJIQDCRL-FUHWJXTLSA-N 2 1 302.462 2.974 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000162302650 426059925 /nfs/dbraw/zinc/05/99/25/426059925.db2.gz QHQFXYWURBFKSQ-ABAIWWIYSA-N 2 1 300.368 2.966 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CCN(Cc2ccccc2)C[C@H]1C ZINC000127352786 426062689 /nfs/dbraw/zinc/06/26/89/426062689.db2.gz GVILWXYPXGASKB-QGZVFWFLSA-N 2 1 312.461 2.788 20 0 DFADMP C[N@H+](CCc1ccc2c(c1)CCO2)CC[C@@H]1CCCC[NH+]1C ZINC000075860428 426088076 /nfs/dbraw/zinc/08/80/76/426088076.db2.gz MSRJACBVHBZMTA-SFHVURJKSA-N 2 1 302.462 2.970 20 0 DFADMP C[NH+](CCc1ccc2c(c1)CCO2)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860428 426088078 /nfs/dbraw/zinc/08/80/78/426088078.db2.gz MSRJACBVHBZMTA-SFHVURJKSA-N 2 1 302.462 2.970 20 0 DFADMP C[NH+](CCc1ccc2c(c1)CCO2)CC[C@@H]1CCCC[N@H+]1C ZINC000075860428 426088080 /nfs/dbraw/zinc/08/80/80/426088080.db2.gz MSRJACBVHBZMTA-SFHVURJKSA-N 2 1 302.462 2.970 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1 ZINC000127851827 426090319 /nfs/dbraw/zinc/09/03/19/426090319.db2.gz YLRRETPDDUIDIX-UHFFFAOYSA-N 2 1 316.424 2.975 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000163359783 426098335 /nfs/dbraw/zinc/09/83/35/426098335.db2.gz MGDYBTIUQDTRLP-VNQPRFMTSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000163359783 426098338 /nfs/dbraw/zinc/09/83/38/426098338.db2.gz MGDYBTIUQDTRLP-VNQPRFMTSA-N 2 1 307.869 2.991 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128259941 426110077 /nfs/dbraw/zinc/11/00/77/426110077.db2.gz XJMFGWWVYMMZIV-QGZVFWFLSA-N 2 1 303.494 2.927 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1F ZINC000128303011 426111244 /nfs/dbraw/zinc/11/12/44/426111244.db2.gz AUXJIGDYNCASDG-HNNXBMFYSA-N 2 1 323.456 2.513 20 0 DFADMP CC[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000162741112 426074952 /nfs/dbraw/zinc/07/49/52/426074952.db2.gz FDKUCANKZJTGQH-GOSISDBHSA-N 2 1 300.450 2.983 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000162741112 426074959 /nfs/dbraw/zinc/07/49/59/426074959.db2.gz FDKUCANKZJTGQH-GOSISDBHSA-N 2 1 300.450 2.983 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)c2ccc(F)cc2)CC1 ZINC000127590248 426075485 /nfs/dbraw/zinc/07/54/85/426075485.db2.gz ZWUDUWWEIZETOE-KRWDZBQOSA-N 2 1 321.484 2.937 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000075766423 426082273 /nfs/dbraw/zinc/08/22/73/426082273.db2.gz MCUWDYNZOGHDMZ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000075766423 426082275 /nfs/dbraw/zinc/08/22/75/426082275.db2.gz MCUWDYNZOGHDMZ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000075766423 426082278 /nfs/dbraw/zinc/08/22/78/426082278.db2.gz MCUWDYNZOGHDMZ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP c1coc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000127749432 426084238 /nfs/dbraw/zinc/08/42/38/426084238.db2.gz SIYOOCZCCSSWQI-BBWFWOEESA-N 2 1 303.450 2.633 20 0 DFADMP c1cnn(CCCCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834300 426086569 /nfs/dbraw/zinc/08/65/69/426086569.db2.gz SSMZEOQTLGAENE-SFHVURJKSA-N 2 1 304.482 2.861 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000171689622 426204759 /nfs/dbraw/zinc/20/47/59/426204759.db2.gz VBWIBYLOINMQNO-UHFFFAOYSA-N 2 1 307.413 2.617 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130390080 426158126 /nfs/dbraw/zinc/15/81/26/426158126.db2.gz NCNNQFPUIAGKBY-GJYPPUQNSA-N 2 1 312.461 2.733 20 0 DFADMP Cn1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000171384309 426186926 /nfs/dbraw/zinc/18/69/26/426186926.db2.gz NGHOZJCHLWLVJW-UHFFFAOYSA-N 2 1 312.461 2.764 20 0 DFADMP CC1CC[NH+](CCN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134906711 426199003 /nfs/dbraw/zinc/19/90/03/426199003.db2.gz BFLLMVVMAHLTGP-MJGOQNOKSA-N 2 1 305.510 2.667 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cccc3c2OCCO3)C[C@@H]1n1ccnc1 ZINC000136085564 426234973 /nfs/dbraw/zinc/23/49/73/426234973.db2.gz KZYTVGHAZLNCFC-ZBFHGGJFSA-N 2 1 313.401 2.737 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000136375749 426240819 /nfs/dbraw/zinc/24/08/19/426240819.db2.gz PNVKVDXMETXMAX-UHFFFAOYSA-N 2 1 322.453 2.524 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000136375749 426240822 /nfs/dbraw/zinc/24/08/22/426240822.db2.gz PNVKVDXMETXMAX-UHFFFAOYSA-N 2 1 322.453 2.524 20 0 DFADMP COC(CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000136780678 426246254 /nfs/dbraw/zinc/24/62/54/426246254.db2.gz AGVHKIPDJWNJOI-WBVHZDCISA-N 2 1 306.450 2.590 20 0 DFADMP COC(C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)OC ZINC000136780678 426246255 /nfs/dbraw/zinc/24/62/55/426246255.db2.gz AGVHKIPDJWNJOI-WBVHZDCISA-N 2 1 306.450 2.590 20 0 DFADMP COC(C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1)OC ZINC000136780678 426246259 /nfs/dbraw/zinc/24/62/59/426246259.db2.gz AGVHKIPDJWNJOI-WBVHZDCISA-N 2 1 306.450 2.590 20 0 DFADMP C[C@H]1C[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000174514319 426259672 /nfs/dbraw/zinc/25/96/72/426259672.db2.gz MBBLXPVEYUQWOP-LPHOPBHVSA-N 2 1 301.478 2.723 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000119110512 426262350 /nfs/dbraw/zinc/26/23/50/426262350.db2.gz IZTBVOJDZCALAA-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000119110512 426262353 /nfs/dbraw/zinc/26/23/53/426262353.db2.gz IZTBVOJDZCALAA-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000119110512 426262355 /nfs/dbraw/zinc/26/23/55/426262355.db2.gz IZTBVOJDZCALAA-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119110512 426262357 /nfs/dbraw/zinc/26/23/57/426262357.db2.gz IZTBVOJDZCALAA-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119110512 426262360 /nfs/dbraw/zinc/26/23/60/426262360.db2.gz IZTBVOJDZCALAA-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+](C)CC1CC[NH+](c2ccc(NCc3ncc[nH]3)cc2)CC1 ZINC000151369530 426292978 /nfs/dbraw/zinc/29/29/78/426292978.db2.gz SJKFNGLQQJRSPH-UHFFFAOYSA-N 2 1 313.449 2.800 20 0 DFADMP CC[C@@H](C[NH2+]C1CCN(c2nc(C)cs2)CC1)[NH+]1CCCC1 ZINC000151668013 426306519 /nfs/dbraw/zinc/30/65/19/426306519.db2.gz POVYRMKWZRRPSD-INIZCTEOSA-N 2 1 322.522 2.884 20 0 DFADMP C[N@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121206784 426324195 /nfs/dbraw/zinc/32/41/95/426324195.db2.gz APPYQIAGPPNYQY-LJQANCHMSA-N 3 1 315.505 2.625 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100677 426326399 /nfs/dbraw/zinc/32/63/99/426326399.db2.gz KELYJCMRHCTKGU-APWZRJJASA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000090770564 426330493 /nfs/dbraw/zinc/33/04/93/426330493.db2.gz BLRSWYDUWXNKCX-BPQIPLTHSA-N 2 1 302.462 2.820 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000090721628 426331263 /nfs/dbraw/zinc/33/12/63/426331263.db2.gz CDUFFGRYNPVNIX-WCQYABFASA-N 2 1 310.825 2.684 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000090721628 426331265 /nfs/dbraw/zinc/33/12/65/426331265.db2.gz CDUFFGRYNPVNIX-WCQYABFASA-N 2 1 310.825 2.684 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000089150237 426281876 /nfs/dbraw/zinc/28/18/76/426281876.db2.gz DHXBRUVOSVLVTE-TVQRCGJNSA-N 2 1 301.203 2.805 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000122801169 426394621 /nfs/dbraw/zinc/39/46/21/426394621.db2.gz ZKWDDOAEHLNQMO-RBUKOAKNSA-N 2 1 302.462 2.840 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000122801169 426394623 /nfs/dbraw/zinc/39/46/23/426394623.db2.gz ZKWDDOAEHLNQMO-RBUKOAKNSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122879289 426400002 /nfs/dbraw/zinc/40/00/02/426400002.db2.gz BEVUUBUCVSQMOF-ZBFHGGJFSA-N 2 1 318.461 2.665 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000152412580 426343025 /nfs/dbraw/zinc/34/30/25/426343025.db2.gz QGDMOPOFAITONE-PKOBYXMFSA-N 2 1 316.489 2.973 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000121949696 426356531 /nfs/dbraw/zinc/35/65/31/426356531.db2.gz GLPLAFYKPZIJHY-ULQDDVLXSA-N 2 1 303.450 2.909 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(CC)c2)[C@@H](C)C1 ZINC000122298245 426367734 /nfs/dbraw/zinc/36/77/34/426367734.db2.gz IXTJNEKMXFEUPL-JZXOWHBKSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(CC)c2)[C@@H](C)C1 ZINC000122298245 426367736 /nfs/dbraw/zinc/36/77/36/426367736.db2.gz IXTJNEKMXFEUPL-JZXOWHBKSA-N 2 1 322.497 2.691 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176291320 426367875 /nfs/dbraw/zinc/36/78/75/426367875.db2.gz NLFJCPKMBOPZTP-QGZVFWFLSA-N 2 1 318.465 2.696 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[N@@H+]1C ZINC000122406135 426374255 /nfs/dbraw/zinc/37/42/55/426374255.db2.gz RYBILWMGIDGDOK-PBHICJAKSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[N@H+]1C ZINC000122406135 426374257 /nfs/dbraw/zinc/37/42/57/426374257.db2.gz RYBILWMGIDGDOK-PBHICJAKSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC[N@H+]1C ZINC000153582478 426393364 /nfs/dbraw/zinc/39/33/64/426393364.db2.gz RQWLUOJBGANLOK-FUHWJXTLSA-N 2 1 302.462 2.807 20 0 DFADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122771220 426393622 /nfs/dbraw/zinc/39/36/22/426393622.db2.gz VQVPEPVIDAPFJZ-YLJYHZDGSA-N 2 1 315.505 2.755 20 0 DFADMP CC[NH+]1CC[C@@H](NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122771220 426393626 /nfs/dbraw/zinc/39/36/26/426393626.db2.gz VQVPEPVIDAPFJZ-YLJYHZDGSA-N 2 1 315.505 2.755 20 0 DFADMP CC[NH+]1CC[C@@H](NCCC[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122771220 426393630 /nfs/dbraw/zinc/39/36/30/426393630.db2.gz VQVPEPVIDAPFJZ-YLJYHZDGSA-N 2 1 315.505 2.755 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122771220 426393634 /nfs/dbraw/zinc/39/36/34/426393634.db2.gz VQVPEPVIDAPFJZ-YLJYHZDGSA-N 2 1 315.505 2.755 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122771220 426393636 /nfs/dbraw/zinc/39/36/36/426393636.db2.gz VQVPEPVIDAPFJZ-YLJYHZDGSA-N 2 1 315.505 2.755 20 0 DFADMP Cc1ccc([C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000154015826 426420387 /nfs/dbraw/zinc/42/03/87/426420387.db2.gz PXRHZTPUEKLCHQ-DJIMGWMZSA-N 2 1 305.466 2.797 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000154074833 426423470 /nfs/dbraw/zinc/42/34/70/426423470.db2.gz KJCXSWGOAPGEMO-VKJFTORMSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](O)C[NH+](C)C ZINC000340480520 268981439 /nfs/dbraw/zinc/98/14/39/268981439.db2.gz QBAZZAXUYJOTOG-CABCVRRESA-N 2 1 317.477 2.736 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000123628693 426443348 /nfs/dbraw/zinc/44/33/48/426443348.db2.gz MXTWCLKRMVJIMZ-ZDUSSCGKSA-N 2 1 310.401 2.871 20 0 DFADMP COCCC[N@@H+](CCc1ccc(OC)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000340706116 269001897 /nfs/dbraw/zinc/00/18/97/269001897.db2.gz FYLYYVINWKIPAZ-LJQANCHMSA-N 2 1 320.477 2.576 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000340897353 269028512 /nfs/dbraw/zinc/02/85/12/269028512.db2.gz NPOKHNSCDCBKAZ-NSHDSACASA-N 2 1 303.362 2.730 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ncc(C)n2C)c1 ZINC000341151909 269048359 /nfs/dbraw/zinc/04/83/59/269048359.db2.gz QGJTVPQETKDRGT-UHFFFAOYSA-N 2 1 300.450 2.860 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341262924 269054780 /nfs/dbraw/zinc/05/47/80/269054780.db2.gz BEJURSVJSDKSGD-BZUAXINKSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341262924 269054782 /nfs/dbraw/zinc/05/47/82/269054782.db2.gz BEJURSVJSDKSGD-BZUAXINKSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@@H](O)C[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000341310757 269066440 /nfs/dbraw/zinc/06/64/40/269066440.db2.gz UYPOOXASKMNLIX-LSDHHAIUSA-N 2 1 308.441 2.582 20 0 DFADMP C[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000341430846 269076142 /nfs/dbraw/zinc/07/61/42/269076142.db2.gz QFEJPNSUUIQMOL-JJTUDDRGSA-N 2 1 309.498 2.627 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177216896 426454960 /nfs/dbraw/zinc/45/49/60/426454960.db2.gz SHXHNFMVYGMDPI-HOTGVXAUSA-N 2 1 309.498 2.630 20 0 DFADMP COCC[NH+]1CCC(N[C@@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154831907 426457649 /nfs/dbraw/zinc/45/76/49/426457649.db2.gz BXSGKQVKRWFGQR-QGZVFWFLSA-N 2 1 322.424 2.740 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000154862473 426458946 /nfs/dbraw/zinc/45/89/46/426458946.db2.gz CXGWUJDNYXETIT-HOTGVXAUSA-N 2 1 320.477 2.888 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000123935418 426462089 /nfs/dbraw/zinc/46/20/89/426462089.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000123935418 426462093 /nfs/dbraw/zinc/46/20/93/426462093.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000123935418 426462095 /nfs/dbraw/zinc/46/20/95/426462095.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 3 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@H]2C[C@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000123935418 426462099 /nfs/dbraw/zinc/46/20/99/426462099.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2C[C@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000123935418 426462102 /nfs/dbraw/zinc/46/21/02/426462102.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000123935418 426462103 /nfs/dbraw/zinc/46/21/03/426462103.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000123935418 426462107 /nfs/dbraw/zinc/46/21/07/426462107.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000123935418 426462109 /nfs/dbraw/zinc/46/21/09/426462109.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2C[C@H](C)N(C)C[C@@H]2C)c1 ZINC000123935418 426462112 /nfs/dbraw/zinc/46/21/12/426462112.db2.gz CNGQMXDZHMQNAK-BXWFABGCSA-N 2 1 303.494 2.957 20 0 DFADMP Brc1cncc(C[NH2+]CCC[NH+]2CCCCC2)c1 ZINC000124305245 426478802 /nfs/dbraw/zinc/47/88/02/426478802.db2.gz TVHKNNVXQWVLHB-UHFFFAOYSA-N 2 1 312.255 2.810 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000124369301 426481822 /nfs/dbraw/zinc/48/18/22/426481822.db2.gz BYCBWWYGWFITFQ-KBPBESRZSA-N 2 1 304.434 2.839 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3ccccc32)CC1 ZINC000124369354 426481960 /nfs/dbraw/zinc/48/19/60/426481960.db2.gz GCJSPLAYLKXODP-IBGZPJMESA-N 2 1 301.478 2.537 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186342143 426509057 /nfs/dbraw/zinc/50/90/57/426509057.db2.gz OFTYRISJOGXEKX-CNCYXEHGSA-N 2 1 317.477 2.530 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)C12CCOCC2 ZINC000186430636 426524786 /nfs/dbraw/zinc/52/47/86/426524786.db2.gz KNEUOJWOSSZHGA-SQNIBIBYSA-N 2 1 324.509 2.671 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)C12CCOCC2 ZINC000186430636 426524791 /nfs/dbraw/zinc/52/47/91/426524791.db2.gz KNEUOJWOSSZHGA-SQNIBIBYSA-N 2 1 324.509 2.671 20 0 DFADMP OCc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000272498603 426540401 /nfs/dbraw/zinc/54/04/01/426540401.db2.gz NQXOYQPRFCTPEZ-MJGOQNOKSA-N 2 1 300.446 2.628 20 0 DFADMP OCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000272498603 426540405 /nfs/dbraw/zinc/54/04/05/426540405.db2.gz NQXOYQPRFCTPEZ-MJGOQNOKSA-N 2 1 300.446 2.628 20 0 DFADMP OCc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000272498603 426540409 /nfs/dbraw/zinc/54/04/09/426540409.db2.gz NQXOYQPRFCTPEZ-MJGOQNOKSA-N 2 1 300.446 2.628 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186510247 426540481 /nfs/dbraw/zinc/54/04/81/426540481.db2.gz YKPORBWMBCVVTD-VJKLRJNGSA-N 2 1 314.473 2.814 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000177930999 426542015 /nfs/dbraw/zinc/54/20/15/426542015.db2.gz BVNGPXQHBSAGCP-KRWDZBQOSA-N 2 1 313.445 2.645 20 0 DFADMP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000186516582 426542580 /nfs/dbraw/zinc/54/25/80/426542580.db2.gz YRFZZGJYEBAXEL-PHXNAMCJSA-N 2 1 302.462 2.610 20 0 DFADMP C[C@H]([NH2+]CC1(O)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272554934 426555298 /nfs/dbraw/zinc/55/52/98/426555298.db2.gz TVCZRAVREMHHHC-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000177956122 426545977 /nfs/dbraw/zinc/54/59/77/426545977.db2.gz DHEFZULVKBHMQS-CKEIUWERSA-N 2 1 306.450 2.565 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000194868748 426494256 /nfs/dbraw/zinc/49/42/56/426494256.db2.gz CWBCOBUVIOULPK-SFHVURJKSA-N 2 1 321.465 2.883 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000194868748 426494259 /nfs/dbraw/zinc/49/42/59/426494259.db2.gz CWBCOBUVIOULPK-SFHVURJKSA-N 2 1 321.465 2.883 20 0 DFADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]c(C)c2)CC1 ZINC000186277206 426499035 /nfs/dbraw/zinc/49/90/35/426499035.db2.gz ZHUFMCMPJZSQBT-UHFFFAOYSA-N 2 1 305.466 2.965 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195138582 426502962 /nfs/dbraw/zinc/50/29/62/426502962.db2.gz HVCBCXRSRLBUMO-HKUYNNGSSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCn2cccn2)CC1 ZINC000178388047 426620624 /nfs/dbraw/zinc/62/06/24/426620624.db2.gz YWMKYRJTMIOSHW-QGZVFWFLSA-N 2 1 304.482 2.860 20 0 DFADMP COCCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000178106064 426572198 /nfs/dbraw/zinc/57/21/98/426572198.db2.gz IANBJMBMCCGDCY-CQSZACIVSA-N 2 1 323.481 2.908 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)C12CCOCC2 ZINC000186730555 426587610 /nfs/dbraw/zinc/58/76/10/426587610.db2.gz WXLJLFJRNSILKK-RCCFBDPRSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000178303731 426600417 /nfs/dbraw/zinc/60/04/17/426600417.db2.gz UOMWTSJBOPTTCS-QGZVFWFLSA-N 2 1 312.417 2.685 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000178303731 426600419 /nfs/dbraw/zinc/60/04/19/426600419.db2.gz UOMWTSJBOPTTCS-QGZVFWFLSA-N 2 1 312.417 2.685 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1 ZINC000178299002 426600892 /nfs/dbraw/zinc/60/08/92/426600892.db2.gz RQAXYAMXHZWCOK-YOEHRIQHSA-N 2 1 312.417 2.683 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1 ZINC000178299002 426600903 /nfs/dbraw/zinc/60/09/03/426600903.db2.gz RQAXYAMXHZWCOK-YOEHRIQHSA-N 2 1 312.417 2.683 20 0 DFADMP COc1ccnc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000273210932 426616905 /nfs/dbraw/zinc/61/69/05/426616905.db2.gz BQDXNYFNTUTSOA-CABCVRRESA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccnc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000273210932 426616908 /nfs/dbraw/zinc/61/69/08/426616908.db2.gz BQDXNYFNTUTSOA-CABCVRRESA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]([NH2+]CC1(O)CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272554922 426555895 /nfs/dbraw/zinc/55/58/95/426555895.db2.gz TVCZRAVREMHHHC-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000280687964 426634706 /nfs/dbraw/zinc/63/47/06/426634706.db2.gz JAUXPHBMMNTGFX-HNNXBMFYSA-N 2 1 317.433 2.713 20 0 DFADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000187168186 426635289 /nfs/dbraw/zinc/63/52/89/426635289.db2.gz ILBLSQMJDZXEKT-HXUWFJFHSA-N 2 1 317.521 2.871 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000178519343 426645350 /nfs/dbraw/zinc/64/53/50/426645350.db2.gz QAXBHYOTAOAHFG-MAUKXSAKSA-N 2 1 302.462 2.845 20 0 DFADMP O[C@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)C[NH+]1CCCC1 ZINC000273400835 426658861 /nfs/dbraw/zinc/65/88/61/426658861.db2.gz NAALBVKCJQWNKJ-DYVFJYSZSA-N 2 1 308.853 2.764 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000289447637 426661181 /nfs/dbraw/zinc/66/11/81/426661181.db2.gz UMLXKMVDXVGHTD-WDYCEAGBSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000289447637 426661183 /nfs/dbraw/zinc/66/11/83/426661183.db2.gz UMLXKMVDXVGHTD-WDYCEAGBSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000289447637 426661186 /nfs/dbraw/zinc/66/11/86/426661186.db2.gz UMLXKMVDXVGHTD-WDYCEAGBSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000289447637 426661190 /nfs/dbraw/zinc/66/11/90/426661190.db2.gz UMLXKMVDXVGHTD-WDYCEAGBSA-N 2 1 302.462 2.628 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236641563 426668954 /nfs/dbraw/zinc/66/89/54/426668954.db2.gz ONVXALBQHTZSCO-UHFFFAOYSA-N 2 1 323.525 2.866 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000289644644 426671591 /nfs/dbraw/zinc/67/15/91/426671591.db2.gz CCWQYTZJEVTPQA-CRAIPNDOSA-N 2 1 317.477 2.531 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000289864223 426674845 /nfs/dbraw/zinc/67/48/45/426674845.db2.gz GRACLFODBRHARE-MSOLQXFVSA-N 2 1 317.477 2.531 20 0 DFADMP COC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716297 426681300 /nfs/dbraw/zinc/68/13/00/426681300.db2.gz YPTDHVBSZOZKGH-DOTOQJQBSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716297 426681304 /nfs/dbraw/zinc/68/13/04/426681304.db2.gz YPTDHVBSZOZKGH-DOTOQJQBSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716297 426681307 /nfs/dbraw/zinc/68/13/07/426681307.db2.gz YPTDHVBSZOZKGH-DOTOQJQBSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716297 426681314 /nfs/dbraw/zinc/68/13/14/426681314.db2.gz YPTDHVBSZOZKGH-DOTOQJQBSA-N 2 1 304.434 2.534 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C1CC1 ZINC000289323561 426628036 /nfs/dbraw/zinc/62/80/36/426628036.db2.gz GMMZDTXULLWIMI-ZWKOTPCHSA-N 2 1 306.425 2.712 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C1CC1 ZINC000289323561 426628037 /nfs/dbraw/zinc/62/80/37/426628037.db2.gz GMMZDTXULLWIMI-ZWKOTPCHSA-N 2 1 306.425 2.712 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289330406 426629739 /nfs/dbraw/zinc/62/97/39/426629739.db2.gz HQXNOTFPUQQRNF-MJGOQNOKSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000289330406 426629743 /nfs/dbraw/zinc/62/97/43/426629743.db2.gz HQXNOTFPUQQRNF-MJGOQNOKSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000289330406 426629745 /nfs/dbraw/zinc/62/97/45/426629745.db2.gz HQXNOTFPUQQRNF-MJGOQNOKSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000289330406 426629747 /nfs/dbraw/zinc/62/97/47/426629747.db2.gz HQXNOTFPUQQRNF-MJGOQNOKSA-N 2 1 302.462 2.895 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159782 426706011 /nfs/dbraw/zinc/70/60/11/426706011.db2.gz XIAJYXIPHPHKTP-ZFWWWQNUSA-N 2 1 322.449 2.572 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159782 426706016 /nfs/dbraw/zinc/70/60/16/426706016.db2.gz XIAJYXIPHPHKTP-ZFWWWQNUSA-N 2 1 322.449 2.572 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159782 426706018 /nfs/dbraw/zinc/70/60/18/426706018.db2.gz XIAJYXIPHPHKTP-ZFWWWQNUSA-N 2 1 322.449 2.572 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159782 426706020 /nfs/dbraw/zinc/70/60/20/426706020.db2.gz XIAJYXIPHPHKTP-ZFWWWQNUSA-N 2 1 322.449 2.572 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000290165275 426707035 /nfs/dbraw/zinc/70/70/35/426707035.db2.gz MGTNGKXFGMUCMM-LSDHHAIUSA-N 2 1 308.466 2.953 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000290165275 426707040 /nfs/dbraw/zinc/70/70/40/426707040.db2.gz MGTNGKXFGMUCMM-LSDHHAIUSA-N 2 1 308.466 2.953 20 0 DFADMP CCSCC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000273697291 426709555 /nfs/dbraw/zinc/70/95/55/426709555.db2.gz IUQKSEXRTABXIT-OAHLLOKOSA-N 2 1 308.491 2.750 20 0 DFADMP CCSCC[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000273697291 426709558 /nfs/dbraw/zinc/70/95/58/426709558.db2.gz IUQKSEXRTABXIT-OAHLLOKOSA-N 2 1 308.491 2.750 20 0 DFADMP C[C@H]1C[N@@H+](CCCN[C@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475933 426720168 /nfs/dbraw/zinc/72/01/68/426720168.db2.gz FLNXZDNSWZIPEX-KSSFIOAISA-N 2 1 321.440 2.762 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475933 426720175 /nfs/dbraw/zinc/72/01/75/426720175.db2.gz FLNXZDNSWZIPEX-KSSFIOAISA-N 2 1 321.440 2.762 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475933 426720179 /nfs/dbraw/zinc/72/01/79/426720179.db2.gz FLNXZDNSWZIPEX-KSSFIOAISA-N 2 1 321.440 2.762 20 0 DFADMP CC[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000290108396 426695083 /nfs/dbraw/zinc/69/50/83/426695083.db2.gz ILJMNLRDHJACSB-GOSISDBHSA-N 2 1 308.441 2.847 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290512843 426781456 /nfs/dbraw/zinc/78/14/56/426781456.db2.gz PREYIKVNMFDFJY-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000290512843 426781458 /nfs/dbraw/zinc/78/14/58/426781458.db2.gz PREYIKVNMFDFJY-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000245918909 426782261 /nfs/dbraw/zinc/78/22/61/426782261.db2.gz XFHDWLZRFZQIMV-FVQBIDKESA-N 2 1 323.481 2.506 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000290527102 426784998 /nfs/dbraw/zinc/78/49/98/426784998.db2.gz QIJJTQAVISAFQY-UHFFFAOYSA-N 2 1 301.438 2.801 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnc(C(C)(C)C)nc1 ZINC000290527102 426785000 /nfs/dbraw/zinc/78/50/00/426785000.db2.gz QIJJTQAVISAFQY-UHFFFAOYSA-N 2 1 301.438 2.801 20 0 DFADMP C[C@@H]1OCC[C@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000245952531 426787190 /nfs/dbraw/zinc/78/71/90/426787190.db2.gz PRLRLUXOSZMLPW-HRAJDOBDSA-N 2 1 302.462 2.910 20 0 DFADMP O[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cccc3nccn32)C1 ZINC000281895830 426788246 /nfs/dbraw/zinc/78/82/46/426788246.db2.gz YQKGMXONCWSJHP-SJORKVTESA-N 2 1 311.360 2.781 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)cc1OC ZINC000178956823 426725885 /nfs/dbraw/zinc/72/58/85/426725885.db2.gz VIRINCCEEQWSIT-MRXNPFEDSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178981128 426729150 /nfs/dbraw/zinc/72/91/50/426729150.db2.gz LEVKKLICUPPOLG-PXNSSMCTSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000178981128 426729155 /nfs/dbraw/zinc/72/91/55/426729155.db2.gz LEVKKLICUPPOLG-PXNSSMCTSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000178981128 426729158 /nfs/dbraw/zinc/72/91/58/426729158.db2.gz LEVKKLICUPPOLG-PXNSSMCTSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000178981128 426729162 /nfs/dbraw/zinc/72/91/62/426729162.db2.gz LEVKKLICUPPOLG-PXNSSMCTSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000178981128 426729167 /nfs/dbraw/zinc/72/91/67/426729167.db2.gz LEVKKLICUPPOLG-PXNSSMCTSA-N 3 1 315.505 2.971 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290290479 426733507 /nfs/dbraw/zinc/73/35/07/426733507.db2.gz AGRLHUGJRUPLNB-HOTGVXAUSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000290290479 426733513 /nfs/dbraw/zinc/73/35/13/426733513.db2.gz AGRLHUGJRUPLNB-HOTGVXAUSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000290290479 426733519 /nfs/dbraw/zinc/73/35/19/426733519.db2.gz AGRLHUGJRUPLNB-HOTGVXAUSA-N 2 1 304.434 2.620 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1nc(C)ccc1O ZINC000290313818 426739447 /nfs/dbraw/zinc/73/94/47/426739447.db2.gz CJVZGDNMGIZXMY-UHFFFAOYSA-N 2 1 302.422 2.767 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1nc(C)ccc1O ZINC000290313818 426739451 /nfs/dbraw/zinc/73/94/51/426739451.db2.gz CJVZGDNMGIZXMY-UHFFFAOYSA-N 2 1 302.422 2.767 20 0 DFADMP CO[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000188790182 426788729 /nfs/dbraw/zinc/78/87/29/426788729.db2.gz ZWNGPZGGHPBTMR-RBUKOAKNSA-N 2 1 320.452 2.990 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328827 426742709 /nfs/dbraw/zinc/74/27/09/426742709.db2.gz DOSLKNHQFWMPRL-QAPCUYQASA-N 2 1 302.462 2.826 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328827 426742714 /nfs/dbraw/zinc/74/27/14/426742714.db2.gz DOSLKNHQFWMPRL-QAPCUYQASA-N 2 1 302.462 2.826 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328827 426742719 /nfs/dbraw/zinc/74/27/19/426742719.db2.gz DOSLKNHQFWMPRL-QAPCUYQASA-N 2 1 302.462 2.826 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328827 426742722 /nfs/dbraw/zinc/74/27/22/426742722.db2.gz DOSLKNHQFWMPRL-QAPCUYQASA-N 2 1 302.462 2.826 20 0 DFADMP COc1cccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c1OC ZINC000290340660 426744233 /nfs/dbraw/zinc/74/42/33/426744233.db2.gz FKPGSFVRAVJYQG-HOCLYGCPSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1OC ZINC000290340676 426745712 /nfs/dbraw/zinc/74/57/12/426745712.db2.gz FKPGSFVRAVJYQG-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246197638 426808657 /nfs/dbraw/zinc/80/86/57/426808657.db2.gz DPPHCHQNGJFPQO-BZUAXINKSA-N 2 1 309.498 2.521 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000267030587 426813791 /nfs/dbraw/zinc/81/37/91/426813791.db2.gz AUYCMDWKFMVDEP-ZIAGYGMSSA-N 2 1 308.422 2.791 20 0 DFADMP COc1cccc([C@H]2C[C@@H](O)C[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000282049819 426820521 /nfs/dbraw/zinc/82/05/21/426820521.db2.gz GJNRBPBWEAKFKU-IEBWSBKVSA-N 2 1 318.461 2.679 20 0 DFADMP COc1cccc([C@H]2C[C@@H](O)C[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000282049819 426820523 /nfs/dbraw/zinc/82/05/23/426820523.db2.gz GJNRBPBWEAKFKU-IEBWSBKVSA-N 2 1 318.461 2.679 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000246373516 426824714 /nfs/dbraw/zinc/82/47/14/426824714.db2.gz JMQOTWCQEZLPGE-HOCLYGCPSA-N 2 1 314.433 2.599 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000180069053 426833697 /nfs/dbraw/zinc/83/36/97/426833697.db2.gz ZQZKWPPQOVLXGA-IBGZPJMESA-N 2 1 315.505 2.676 20 0 DFADMP C[N@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180115188 426834944 /nfs/dbraw/zinc/83/49/44/426834944.db2.gz QGKRXWPERKMZBT-RAFMOHDBSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180115188 426834950 /nfs/dbraw/zinc/83/49/50/426834950.db2.gz QGKRXWPERKMZBT-RAFMOHDBSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180115188 426834955 /nfs/dbraw/zinc/83/49/55/426834955.db2.gz QGKRXWPERKMZBT-RAFMOHDBSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180115188 426834959 /nfs/dbraw/zinc/83/49/59/426834959.db2.gz QGKRXWPERKMZBT-RAFMOHDBSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180115188 426834963 /nfs/dbraw/zinc/83/49/63/426834963.db2.gz QGKRXWPERKMZBT-RAFMOHDBSA-N 2 1 313.489 2.866 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000180115985 426836748 /nfs/dbraw/zinc/83/67/48/426836748.db2.gz GMOGVLOUNDKANG-UHFFFAOYSA-N 2 1 309.417 2.523 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1(C)C ZINC000282141657 426837912 /nfs/dbraw/zinc/83/79/12/426837912.db2.gz CCCMWIWUFJMWMQ-RBUKOAKNSA-N 2 1 315.505 2.938 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000246543916 426844019 /nfs/dbraw/zinc/84/40/19/426844019.db2.gz YDZVERHYMSJHFF-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP CCOC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274834480 426845904 /nfs/dbraw/zinc/84/59/04/426845904.db2.gz NCLYBMRCIPDLGC-FUHWJXTLSA-N 2 1 318.461 2.830 20 0 DFADMP CCOC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274834480 426845911 /nfs/dbraw/zinc/84/59/11/426845911.db2.gz NCLYBMRCIPDLGC-FUHWJXTLSA-N 2 1 318.461 2.830 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]c3nccnc23)c1 ZINC000290834960 426850487 /nfs/dbraw/zinc/85/04/87/426850487.db2.gz IHRCJFAMHJXLOI-UHFFFAOYSA-N 2 1 309.417 2.699 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(Cl)cn1 ZINC000274861344 426853898 /nfs/dbraw/zinc/85/38/98/426853898.db2.gz CYMAKXALPJSOIU-HIFRSBDPSA-N 2 1 311.857 2.623 20 0 DFADMP C[N@H+](CCOCC(F)(F)C(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000189433484 426856424 /nfs/dbraw/zinc/85/64/24/426856424.db2.gz RXHNYUXWZLOLHY-LBPRGKRZSA-N 2 1 314.367 2.710 20 0 DFADMP C[N@@H+](CCOCC(F)(F)C(F)F)CC[C@@H]1CCCC[NH+]1C ZINC000189433484 426856428 /nfs/dbraw/zinc/85/64/28/426856428.db2.gz RXHNYUXWZLOLHY-LBPRGKRZSA-N 2 1 314.367 2.710 20 0 DFADMP C[NH+](CCOCC(F)(F)C(F)F)CC[C@@H]1CCCC[N@@H+]1C ZINC000189433484 426856433 /nfs/dbraw/zinc/85/64/33/426856433.db2.gz RXHNYUXWZLOLHY-LBPRGKRZSA-N 2 1 314.367 2.710 20 0 DFADMP C[NH+](CCOCC(F)(F)C(F)F)CC[C@@H]1CCCC[N@H+]1C ZINC000189433484 426856438 /nfs/dbraw/zinc/85/64/38/426856438.db2.gz RXHNYUXWZLOLHY-LBPRGKRZSA-N 2 1 314.367 2.710 20 0 DFADMP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309882468 426917937 /nfs/dbraw/zinc/91/79/37/426917937.db2.gz JZSFOVJEPKTXJU-KRWDZBQOSA-N 2 1 317.477 2.532 20 0 DFADMP CCn1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000267283420 426862536 /nfs/dbraw/zinc/86/25/36/426862536.db2.gz PLPFROBNRWRWBM-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000267283420 426862541 /nfs/dbraw/zinc/86/25/41/426862541.db2.gz PLPFROBNRWRWBM-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000267283420 426862545 /nfs/dbraw/zinc/86/25/45/426862545.db2.gz PLPFROBNRWRWBM-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000267283420 426862547 /nfs/dbraw/zinc/86/25/47/426862547.db2.gz PLPFROBNRWRWBM-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1)c1ccccc1 ZINC000267281393 426862945 /nfs/dbraw/zinc/86/29/45/426862945.db2.gz KVJLVMDDNZZNEW-BZSNNMDCSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000246868296 426873958 /nfs/dbraw/zinc/87/39/58/426873958.db2.gz DIBMUMJBUSUWHS-YJBOKZPZSA-N 2 1 315.461 2.633 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@@H](C)C1 ZINC000246868296 426873964 /nfs/dbraw/zinc/87/39/64/426873964.db2.gz DIBMUMJBUSUWHS-YJBOKZPZSA-N 2 1 315.461 2.633 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCc1nc2ccccc2n1C ZINC000267433886 426879610 /nfs/dbraw/zinc/87/96/10/426879610.db2.gz NGBFCSJOQCACFQ-INIZCTEOSA-N 2 1 323.444 2.785 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000267433886 426879614 /nfs/dbraw/zinc/87/96/14/426879614.db2.gz NGBFCSJOQCACFQ-INIZCTEOSA-N 2 1 323.444 2.785 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)s2)cn1 ZINC000282320122 426880670 /nfs/dbraw/zinc/88/06/70/426880670.db2.gz UCVOLDFNVYULGF-ZDUSSCGKSA-N 2 1 316.474 2.723 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C[C@@H]1n1ccnc1 ZINC000180720288 426881448 /nfs/dbraw/zinc/88/14/48/426881448.db2.gz MWDMHZCMLXQFRJ-HOCLYGCPSA-N 2 1 315.465 2.997 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000305137466 426884236 /nfs/dbraw/zinc/88/42/36/426884236.db2.gz LIRNISQVHNWNSV-CJNGLKHVSA-N 2 1 319.474 2.945 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000305154700 426890274 /nfs/dbraw/zinc/89/02/74/426890274.db2.gz VKMIBLMFJXVAQU-QFBILLFUSA-N 2 1 312.457 2.719 20 0 DFADMP Cc1n[nH]cc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000275681504 426895359 /nfs/dbraw/zinc/89/53/59/426895359.db2.gz MIVQMYCCTWTTTP-INIZCTEOSA-N 2 1 316.474 2.924 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1sccc1CN(C)C ZINC000268042584 426898809 /nfs/dbraw/zinc/89/88/09/426898809.db2.gz QMRVSRXRKDCGEF-KGLIPLIRSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1sccc1C[NH+](C)C ZINC000268042584 426898818 /nfs/dbraw/zinc/89/88/18/426898818.db2.gz QMRVSRXRKDCGEF-KGLIPLIRSA-N 2 1 323.506 2.660 20 0 DFADMP Clc1cc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000337648104 426898957 /nfs/dbraw/zinc/89/89/57/426898957.db2.gz YZQZTBOIUCNSHE-KGLIPLIRSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000337648104 426898965 /nfs/dbraw/zinc/89/89/65/426898965.db2.gz YZQZTBOIUCNSHE-KGLIPLIRSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000337648104 426898972 /nfs/dbraw/zinc/89/89/72/426898972.db2.gz YZQZTBOIUCNSHE-KGLIPLIRSA-N 2 1 322.836 2.828 20 0 DFADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000247148436 426908513 /nfs/dbraw/zinc/90/85/13/426908513.db2.gz WTTBMLOZKOXUAE-SQWLQELKSA-N 2 1 323.506 2.587 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000337665286 426911187 /nfs/dbraw/zinc/91/11/87/426911187.db2.gz LMJUVORQHUZZAO-MNEFBYGVSA-N 2 1 302.462 2.866 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H]([NH3+])[C@H](c2ccccc2)C1 ZINC000337665286 426911190 /nfs/dbraw/zinc/91/11/90/426911190.db2.gz LMJUVORQHUZZAO-MNEFBYGVSA-N 2 1 302.462 2.866 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000316745068 426948777 /nfs/dbraw/zinc/94/87/77/426948777.db2.gz ILSBSDOJHHUUHS-CKEIUWERSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000316745068 426948783 /nfs/dbraw/zinc/94/87/83/426948783.db2.gz ILSBSDOJHHUUHS-CKEIUWERSA-N 2 1 302.418 2.735 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000275935302 426950505 /nfs/dbraw/zinc/95/05/05/426950505.db2.gz YBYWBXLJILWIQJ-INIZCTEOSA-N 2 1 320.452 2.991 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H](C)C[NH+](C)C)c(OC(F)F)c1 ZINC000291712389 426963245 /nfs/dbraw/zinc/96/32/45/426963245.db2.gz LNTYTLOMXSZMHM-LLVKDONJSA-N 2 1 302.365 2.584 20 0 DFADMP CC[C@](C)(C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)OC ZINC000319605108 426964190 /nfs/dbraw/zinc/96/41/90/426964190.db2.gz JYRDGVKIZNQKQY-RTBURBONSA-N 2 1 320.477 2.682 20 0 DFADMP CC[C@](C)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)OC ZINC000319605108 426964197 /nfs/dbraw/zinc/96/41/97/426964197.db2.gz JYRDGVKIZNQKQY-RTBURBONSA-N 2 1 320.477 2.682 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@@H]3C2(C)C)C[C@H](C)O1 ZINC000181616211 426968058 /nfs/dbraw/zinc/96/80/58/426968058.db2.gz OBAZCYPDKLYCOL-RZFLPCETSA-N 2 1 324.509 2.669 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000248000948 426971847 /nfs/dbraw/zinc/97/18/47/426971847.db2.gz KIUBRUKEUYCAGI-RDJZCZTQSA-N 2 1 303.450 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000248000948 426971853 /nfs/dbraw/zinc/97/18/53/426971853.db2.gz KIUBRUKEUYCAGI-RDJZCZTQSA-N 2 1 303.450 2.623 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000248055981 426978059 /nfs/dbraw/zinc/97/80/59/426978059.db2.gz XJWLJQIFVFTGKV-PKOBYXMFSA-N 2 1 304.478 2.956 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248217356 426986351 /nfs/dbraw/zinc/98/63/51/426986351.db2.gz ZWEVVUCCPNSOPE-WNRNVDISSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248217356 426986359 /nfs/dbraw/zinc/98/63/59/426986359.db2.gz ZWEVVUCCPNSOPE-WNRNVDISSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248217356 426986363 /nfs/dbraw/zinc/98/63/63/426986363.db2.gz ZWEVVUCCPNSOPE-WNRNVDISSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248217356 426986366 /nfs/dbraw/zinc/98/63/66/426986366.db2.gz ZWEVVUCCPNSOPE-WNRNVDISSA-N 2 1 321.509 2.582 20 0 DFADMP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000315140158 426935439 /nfs/dbraw/zinc/93/54/39/426935439.db2.gz WNPAZWAVKBZGHD-PBHICJAKSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000315140158 426935444 /nfs/dbraw/zinc/93/54/44/426935444.db2.gz WNPAZWAVKBZGHD-PBHICJAKSA-N 2 1 304.434 2.668 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCCC2)s1 ZINC000181372567 426941609 /nfs/dbraw/zinc/94/16/09/426941609.db2.gz YWPNXOGZKBPKEI-CYBMUJFWSA-N 2 1 311.495 2.777 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275910751 426944567 /nfs/dbraw/zinc/94/45/67/426944567.db2.gz UMBVLNWWBNSIAU-GOSISDBHSA-N 2 1 324.432 2.513 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000248457796 427005660 /nfs/dbraw/zinc/00/56/60/427005660.db2.gz UEXNWHATSNJQAC-KBXCAEBGSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H](C1CC1)[NH+](C[C@@H](O)C[N@H+]([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734865 427036624 /nfs/dbraw/zinc/03/66/24/427036624.db2.gz MRDGBIXUBYADJC-HBCWATKFSA-N 2 1 306.494 2.873 20 0 DFADMP C[C@H](C1CC1)[N@@H+](C[C@@H](O)C[NH+]([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734865 427036632 /nfs/dbraw/zinc/03/66/32/427036632.db2.gz MRDGBIXUBYADJC-HBCWATKFSA-N 2 1 306.494 2.873 20 0 DFADMP C[C@H](C1CC1)[N@H+](C[C@@H](O)C[NH+]([C@@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734865 427036641 /nfs/dbraw/zinc/03/66/41/427036641.db2.gz MRDGBIXUBYADJC-HBCWATKFSA-N 2 1 306.494 2.873 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000182247684 427036850 /nfs/dbraw/zinc/03/68/50/427036850.db2.gz XRMVLGQDEJPYAE-HNAYVOBHSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CCC1 ZINC000182247707 427037522 /nfs/dbraw/zinc/03/75/22/427037522.db2.gz XRMVLGQDEJPYAE-DNVCBOLYSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000291990451 427047802 /nfs/dbraw/zinc/04/78/02/427047802.db2.gz ABGHOBMIVGUYAO-OAHLLOKOSA-N 2 1 317.477 2.912 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2c(s1)C[C@H](C)CC2 ZINC000337944525 427052061 /nfs/dbraw/zinc/05/20/61/427052061.db2.gz BVIGHDDFGDCWNK-GFCCVEGCSA-N 2 1 304.463 2.953 20 0 DFADMP CCc1nc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n[nH]1 ZINC000296062653 427064770 /nfs/dbraw/zinc/06/47/70/427064770.db2.gz PJCLWUZTDUWGMJ-GOEBONIOSA-N 2 1 313.449 2.510 20 0 DFADMP CC(C)OC(=O)c1ccc(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292037588 427067168 /nfs/dbraw/zinc/06/71/68/427067168.db2.gz AAUPOMIURLCJHF-LJQANCHMSA-N 2 1 316.445 2.779 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292037588 427067174 /nfs/dbraw/zinc/06/71/74/427067174.db2.gz AAUPOMIURLCJHF-LJQANCHMSA-N 2 1 316.445 2.779 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292037588 427067179 /nfs/dbraw/zinc/06/71/79/427067179.db2.gz AAUPOMIURLCJHF-LJQANCHMSA-N 2 1 316.445 2.779 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C12CCOCC2 ZINC000249035766 427078418 /nfs/dbraw/zinc/07/84/18/427078418.db2.gz TZUGRGSOKQNDJA-KZNAEPCWSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000337990307 427079554 /nfs/dbraw/zinc/07/95/54/427079554.db2.gz AYLCCTYDHSWDRD-IUODEOHRSA-N 2 1 318.383 2.539 20 0 DFADMP C[C@@H]1C[C@@H](NCC(C)(C)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268701096 427093809 /nfs/dbraw/zinc/09/38/09/427093809.db2.gz FPSVIKRINAQEDY-AEFFLSMTSA-N 3 1 303.494 2.969 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC[C@H](C(F)(F)F)C1 ZINC000249209227 427097305 /nfs/dbraw/zinc/09/73/05/427097305.db2.gz XFEMXRRZSYQHTL-LJISPDSOSA-N 2 1 320.399 2.686 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292118966 427098278 /nfs/dbraw/zinc/09/82/78/427098278.db2.gz HNYRKLCOOQGNHQ-OAHLLOKOSA-N 2 1 316.424 2.931 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2cccc(F)c2)C[C@H]1C ZINC000292118966 427098282 /nfs/dbraw/zinc/09/82/82/427098282.db2.gz HNYRKLCOOQGNHQ-OAHLLOKOSA-N 2 1 316.424 2.931 20 0 DFADMP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268708074 427098386 /nfs/dbraw/zinc/09/83/86/427098386.db2.gz CMOXYQXWPPUAME-IEBWSBKVSA-N 2 1 320.477 2.540 20 0 DFADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268708074 427098390 /nfs/dbraw/zinc/09/83/90/427098390.db2.gz CMOXYQXWPPUAME-IEBWSBKVSA-N 2 1 320.477 2.540 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000249383470 427110109 /nfs/dbraw/zinc/11/01/09/427110109.db2.gz VTSODIWNQJSNBT-CABCVRRESA-N 2 1 304.434 2.840 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000268777557 427112628 /nfs/dbraw/zinc/11/26/28/427112628.db2.gz BYGRZCJMBMXWLA-ZDUSSCGKSA-N 2 1 318.396 2.728 20 0 DFADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338053800 427117815 /nfs/dbraw/zinc/11/78/15/427117815.db2.gz IXRFJZWXQUEKKT-ZACQAIPSSA-N 2 1 323.525 2.971 20 0 DFADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2ccco2)C1 ZINC000190469594 427118441 /nfs/dbraw/zinc/11/84/41/427118441.db2.gz VWKRRDXXJMMWTK-CQSZACIVSA-N 2 1 305.447 2.998 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc(F)ncc2F)c1 ZINC000296245134 427123932 /nfs/dbraw/zinc/12/39/32/427123932.db2.gz CUUJOZQVKUZBJU-UHFFFAOYSA-N 2 1 321.371 2.590 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCCn3ccnc3)C2)CC1 ZINC000182742641 427135046 /nfs/dbraw/zinc/13/50/46/427135046.db2.gz NJZHUYLEZOYDGO-GOSISDBHSA-N 2 1 304.482 2.717 20 0 DFADMP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268978013 427141946 /nfs/dbraw/zinc/14/19/46/427141946.db2.gz CJFYVTXHKKCCOL-BPQIPLTHSA-N 2 1 322.518 2.743 20 0 DFADMP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000249740774 427142604 /nfs/dbraw/zinc/14/26/04/427142604.db2.gz IUXNNIPJJBQFKH-HZPDHXFCSA-N 2 1 317.477 2.598 20 0 DFADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000284230209 427158822 /nfs/dbraw/zinc/15/88/22/427158822.db2.gz HSJGYOFRNHSMBC-FUHWJXTLSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000284230209 427158829 /nfs/dbraw/zinc/15/88/29/427158829.db2.gz HSJGYOFRNHSMBC-FUHWJXTLSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000165656351 271094645 /nfs/dbraw/zinc/09/46/45/271094645.db2.gz WDZRHYVXIAAKAZ-UHFFFAOYSA-N 2 1 302.422 2.522 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C(C)(C)C[NH3+] ZINC000164590421 271095048 /nfs/dbraw/zinc/09/50/48/271095048.db2.gz CZVXLFGGGIQXMA-OAHLLOKOSA-N 2 1 317.477 2.662 20 0 DFADMP Cc1ccccc1CCC[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000175905420 271161190 /nfs/dbraw/zinc/16/11/90/271161190.db2.gz CGJLHQUUKHTLDA-GOSISDBHSA-N 2 1 318.505 2.952 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000237143882 271244646 /nfs/dbraw/zinc/24/46/46/271244646.db2.gz JNGIZTZAVJQEGV-SJORKVTESA-N 2 1 309.498 2.665 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282681544 271333427 /nfs/dbraw/zinc/33/34/27/271333427.db2.gz AAKOTQJMVYSWCL-HOJAQTOUSA-N 2 1 315.505 2.796 20 0 DFADMP CC1CC[NH+](CCN2CC[N@@H+](C)[C@H](Cc3ccccc3)C2)CC1 ZINC000284915803 271340793 /nfs/dbraw/zinc/34/07/93/271340793.db2.gz XOPZDGHPAGHKAM-HXUWFJFHSA-N 2 1 315.505 2.577 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296404578 427173063 /nfs/dbraw/zinc/17/30/63/427173063.db2.gz KQWMUCANGFALRG-UBBHGXQRSA-N 2 1 301.434 2.921 20 0 DFADMP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCCC2)[C@@H]1c1ccccc1 ZINC000284318885 427179953 /nfs/dbraw/zinc/17/99/53/427179953.db2.gz POQDRDGQBQGDQR-MOPGFXCFSA-N 2 1 301.478 2.897 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)nc1 ZINC000277385447 427186999 /nfs/dbraw/zinc/18/69/99/427186999.db2.gz YMBUKZHUFXYMLK-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)nc1 ZINC000277385447 427187007 /nfs/dbraw/zinc/18/70/07/427187007.db2.gz YMBUKZHUFXYMLK-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296464536 427188871 /nfs/dbraw/zinc/18/88/71/427188871.db2.gz NMONENNVOMMWBH-LMMKCTJWSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296464536 427188876 /nfs/dbraw/zinc/18/88/76/427188876.db2.gz NMONENNVOMMWBH-LMMKCTJWSA-N 2 1 304.478 2.895 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277399549 427190754 /nfs/dbraw/zinc/19/07/54/427190754.db2.gz ZKLLKXSYKBEBCJ-MRXNPFEDSA-N 2 1 303.450 2.740 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000252652486 427191326 /nfs/dbraw/zinc/19/13/26/427191326.db2.gz QREFSQKLAAAKAX-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000252652486 427191332 /nfs/dbraw/zinc/19/13/32/427191332.db2.gz QREFSQKLAAAKAX-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@@H](C)C1 ZINC000252652486 427191337 /nfs/dbraw/zinc/19/13/37/427191337.db2.gz QREFSQKLAAAKAX-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277399547 427191499 /nfs/dbraw/zinc/19/14/99/427191499.db2.gz ZKLLKXSYKBEBCJ-INIZCTEOSA-N 2 1 303.450 2.740 20 0 DFADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000292767211 427199927 /nfs/dbraw/zinc/19/99/27/427199927.db2.gz JIYOLOLUJZRZOI-HKUYNNGSSA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+](C)CCCN[C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125320 427203976 /nfs/dbraw/zinc/20/39/76/427203976.db2.gz QHIWHKFTZVHMAI-UFYCRDLUSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125320 427203984 /nfs/dbraw/zinc/20/39/84/427203984.db2.gz QHIWHKFTZVHMAI-UFYCRDLUSA-N 3 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125320 427203988 /nfs/dbraw/zinc/20/39/88/427203988.db2.gz QHIWHKFTZVHMAI-UFYCRDLUSA-N 3 1 315.505 2.828 20 0 DFADMP COCCC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125190 427204887 /nfs/dbraw/zinc/20/48/87/427204887.db2.gz MGILUHUJROSGMX-FHWLQOOXSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000285162702 427207625 /nfs/dbraw/zinc/20/76/25/427207625.db2.gz MQBNJIDHCQLMPX-BTRQGYIVSA-N 2 1 302.462 2.933 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000183149775 427210121 /nfs/dbraw/zinc/21/01/21/427210121.db2.gz HCZLPAZYDSNBDM-AQNXPRMDSA-N 2 1 324.472 2.773 20 0 DFADMP CCCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183148517 427210633 /nfs/dbraw/zinc/21/06/33/427210633.db2.gz KTSYENGEHYIMES-KBPBESRZSA-N 2 1 314.433 2.746 20 0 DFADMP Nc1cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415543 427228261 /nfs/dbraw/zinc/22/82/61/427228261.db2.gz DHJLDHSCXPDSIY-FQEVSTJZSA-N 2 1 322.456 2.762 20 0 DFADMP Nc1cc(C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415543 427228268 /nfs/dbraw/zinc/22/82/68/427228268.db2.gz DHJLDHSCXPDSIY-FQEVSTJZSA-N 2 1 322.456 2.762 20 0 DFADMP Nc1cc(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415543 427228277 /nfs/dbraw/zinc/22/82/77/427228277.db2.gz DHJLDHSCXPDSIY-FQEVSTJZSA-N 2 1 322.456 2.762 20 0 DFADMP Nc1cc(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415543 427228286 /nfs/dbraw/zinc/22/82/86/427228286.db2.gz DHJLDHSCXPDSIY-FQEVSTJZSA-N 2 1 322.456 2.762 20 0 DFADMP Nc1cc(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415543 427228288 /nfs/dbraw/zinc/22/82/88/427228288.db2.gz DHJLDHSCXPDSIY-FQEVSTJZSA-N 2 1 322.456 2.762 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000293174719 427234825 /nfs/dbraw/zinc/23/48/25/427234825.db2.gz WIDMSAFFRUKYHG-IBGZPJMESA-N 2 1 320.452 2.847 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC(O)CC2)CC1 ZINC000285472661 427242370 /nfs/dbraw/zinc/24/23/70/427242370.db2.gz AZOCREYLEVWNHR-UHFFFAOYSA-N 2 1 302.462 2.853 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000183334298 427248450 /nfs/dbraw/zinc/24/84/50/427248450.db2.gz FSWQMBSJDCJMJM-CWRNSKLLSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000183334298 427248455 /nfs/dbraw/zinc/24/84/55/427248455.db2.gz FSWQMBSJDCJMJM-CWRNSKLLSA-N 2 1 307.869 2.991 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338309748 427252299 /nfs/dbraw/zinc/25/22/99/427252299.db2.gz WFCPZUDJPFRIKW-CQSZACIVSA-N 2 1 304.425 2.591 20 0 DFADMP C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000338314191 427256492 /nfs/dbraw/zinc/25/64/92/427256492.db2.gz IKUZNTIVMNGUTF-MSOLQXFVSA-N 2 1 310.482 2.728 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338328379 427262659 /nfs/dbraw/zinc/26/26/59/427262659.db2.gz RSJFZJULJHHGEI-PMACEKPBSA-N 2 1 316.489 2.887 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338328379 427262665 /nfs/dbraw/zinc/26/26/65/427262665.db2.gz RSJFZJULJHHGEI-PMACEKPBSA-N 2 1 316.489 2.887 20 0 DFADMP C[N@@H+](CCCN1CCN(c2ccccc2)CC1)Cc1cccnc1 ZINC000285556405 427270712 /nfs/dbraw/zinc/27/07/12/427270712.db2.gz ISXRCPQMKMEHMK-UHFFFAOYSA-N 2 1 324.472 2.726 20 0 DFADMP C[C@H](C1CCCCC1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000338357191 427276435 /nfs/dbraw/zinc/27/64/35/427276435.db2.gz NREIUZZHWFBWEZ-OAHLLOKOSA-N 2 1 321.509 2.630 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)CC[C@@H]2CCC[NH+]2C)CC1 ZINC000338364769 427278317 /nfs/dbraw/zinc/27/83/17/427278317.db2.gz FEEYQWBHMKLDDB-CGZBRXJRSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)C1CCC([NH+](CC)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000338364769 427278323 /nfs/dbraw/zinc/27/83/23/427278323.db2.gz FEEYQWBHMKLDDB-CGZBRXJRSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)C1CCC([NH+](CC)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000338364769 427278330 /nfs/dbraw/zinc/27/83/30/427278330.db2.gz FEEYQWBHMKLDDB-CGZBRXJRSA-N 2 1 310.482 2.915 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000262147981 427352470 /nfs/dbraw/zinc/35/24/70/427352470.db2.gz QRLOKGSBZVYCIA-LZLYRXPVSA-N 2 1 323.525 2.863 20 0 DFADMP CC(C)N(C)c1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000191301857 427312460 /nfs/dbraw/zinc/31/24/60/427312460.db2.gz FJEMIRYUWCPQBS-GOEBONIOSA-N 2 1 302.466 2.641 20 0 DFADMP CC(C)N(C)c1ccc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)cn1 ZINC000191301857 427312472 /nfs/dbraw/zinc/31/24/72/427312472.db2.gz FJEMIRYUWCPQBS-GOEBONIOSA-N 2 1 302.466 2.641 20 0 DFADMP CC[C@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183681655 427319376 /nfs/dbraw/zinc/31/93/76/427319376.db2.gz OFDYJXACBMIOOJ-KBPBESRZSA-N 2 1 314.433 2.746 20 0 DFADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccc1 ZINC000191387251 427338239 /nfs/dbraw/zinc/33/82/39/427338239.db2.gz USCJOWFZKHWMBJ-UHFFFAOYSA-N 2 1 303.494 2.925 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000191398887 427341740 /nfs/dbraw/zinc/34/17/40/427341740.db2.gz MKLZECMESOMCKG-NVXWUHKLSA-N 2 1 304.482 2.841 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cn1 ZINC000191398887 427341743 /nfs/dbraw/zinc/34/17/43/427341743.db2.gz MKLZECMESOMCKG-NVXWUHKLSA-N 2 1 304.482 2.841 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2cccc(F)c2)CC1 ZINC000191405262 427341984 /nfs/dbraw/zinc/34/19/84/427341984.db2.gz NONUIKIGZKWJRP-UHFFFAOYSA-N 2 1 307.457 2.674 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1F ZINC000261883960 427343430 /nfs/dbraw/zinc/34/34/30/427343430.db2.gz FQPMSTVXKTWKAS-OLMNPRSZSA-N 2 1 320.452 2.850 20 0 DFADMP Fc1ccc(C[N@@H+](CC2CC[NH2+]CC2)C2CCOCC2)cc1 ZINC000261915529 427344211 /nfs/dbraw/zinc/34/42/11/427344211.db2.gz JUXWDERLCKFOSO-UHFFFAOYSA-N 2 1 306.425 2.806 20 0 DFADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261890025 427344335 /nfs/dbraw/zinc/34/43/35/427344335.db2.gz NQKSPOBBWQZVST-MSOLQXFVSA-N 2 1 321.509 2.537 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261960174 427347602 /nfs/dbraw/zinc/34/76/02/427347602.db2.gz PNMWJQODPZSTJJ-GSEOLPGOSA-N 2 1 314.473 2.853 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000262053786 427350957 /nfs/dbraw/zinc/35/09/57/427350957.db2.gz QMKPCOCWLAHYJQ-IBGZPJMESA-N 2 1 310.445 2.581 20 0 DFADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000293327422 427288204 /nfs/dbraw/zinc/28/82/04/427288204.db2.gz IUYHHODMYUMNIX-FUHWJXTLSA-N 2 1 317.477 2.675 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](OC)c2ccccc2)C1 ZINC000338549511 427375029 /nfs/dbraw/zinc/37/50/29/427375029.db2.gz RRQOQEFNCRZPPN-OALUTQOASA-N 2 1 320.477 2.807 20 0 DFADMP C[N@H+]1CCC[C@]2(CCN(Cc3cnc4ccc(Cl)cn34)C2)C1 ZINC000293617923 427381498 /nfs/dbraw/zinc/38/14/98/427381498.db2.gz KNLFORYFXKUSHX-KRWDZBQOSA-N 2 1 318.852 2.905 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)CCCn1ccnc1C ZINC000271037965 427382491 /nfs/dbraw/zinc/38/24/91/427382491.db2.gz RZGHOQILEZSMCE-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP CCOc1ccccc1OCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000271037965 427382497 /nfs/dbraw/zinc/38/24/97/427382497.db2.gz RZGHOQILEZSMCE-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000271037965 427382503 /nfs/dbraw/zinc/38/25/03/427382503.db2.gz RZGHOQILEZSMCE-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP C[C@@H](NCc1cn(C(C)(C)C)nn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000191580152 427382465 /nfs/dbraw/zinc/38/24/65/427382465.db2.gz YBPXBIDFMASCBY-HUUCEWRRSA-N 2 1 319.497 2.776 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc(-n2cccn2)c(F)c1 ZINC000293646026 427393770 /nfs/dbraw/zinc/39/37/70/427393770.db2.gz HNLOOEGBLVYMLN-CYBMUJFWSA-N 2 1 302.397 2.756 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263055793 427404765 /nfs/dbraw/zinc/40/47/65/427404765.db2.gz UYYVFJWOROMVFR-VKJFTORMSA-N 2 1 309.498 2.521 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H](C)C1 ZINC000293720754 427414013 /nfs/dbraw/zinc/41/40/13/427414013.db2.gz NQOPCOMYFMDEJW-DOMZBBRYSA-N 2 1 315.383 2.963 20 0 DFADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@@H](CC)c1ccccc1 ZINC000262229386 427354137 /nfs/dbraw/zinc/35/41/37/427354137.db2.gz VEVZLHXWFYOYQP-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191462636 427355844 /nfs/dbraw/zinc/35/58/44/427355844.db2.gz CEDKHAJYSHOWLA-DLBZAZTESA-N 2 1 311.514 2.735 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H](C)[S@]1=O ZINC000285861528 427356997 /nfs/dbraw/zinc/35/69/97/427356997.db2.gz INYYARYOPCUGLA-WTBBCNCBSA-N 2 1 317.458 2.604 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H](C)[S@]1=O ZINC000285861528 427357003 /nfs/dbraw/zinc/35/70/03/427357003.db2.gz INYYARYOPCUGLA-WTBBCNCBSA-N 2 1 317.458 2.604 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cccc(OC)n1 ZINC000191507817 427368165 /nfs/dbraw/zinc/36/81/65/427368165.db2.gz KMFAWOGYCIZMLD-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cccc(OC)n1 ZINC000191507817 427368173 /nfs/dbraw/zinc/36/81/73/427368173.db2.gz KMFAWOGYCIZMLD-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP COC(=O)[C@@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000191985114 427455450 /nfs/dbraw/zinc/45/54/50/427455450.db2.gz XUXPJMACZDCBDU-MRXNPFEDSA-N 2 1 313.401 2.566 20 0 DFADMP CC(C)c1cc(N2CC[C@]3(C2)CCC[N@H+](C)C3)nc(N(C)C)[nH+]1 ZINC000338749254 427468202 /nfs/dbraw/zinc/46/82/02/427468202.db2.gz ZKJLXTOCFBEURC-GOSISDBHSA-N 2 1 317.481 2.588 20 0 DFADMP CC(C)c1cc(N2CC[C@]3(C2)CCC[N@@H+](C)C3)nc(N(C)C)[nH+]1 ZINC000338749254 427468205 /nfs/dbraw/zinc/46/82/05/427468205.db2.gz ZKJLXTOCFBEURC-GOSISDBHSA-N 2 1 317.481 2.588 20 0 DFADMP CC[N@@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)C(C)C ZINC000338767562 427476943 /nfs/dbraw/zinc/47/69/43/427476943.db2.gz OISWVDCFKBOLHP-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000192094060 427480424 /nfs/dbraw/zinc/48/04/24/427480424.db2.gz QHELQHLETSKYQJ-HRCADAONSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000184224324 427421073 /nfs/dbraw/zinc/42/10/73/427421073.db2.gz JKLHUIVAYKHNLO-HOTGVXAUSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363093 427431790 /nfs/dbraw/zinc/43/17/90/427431790.db2.gz BLWYNIWRVGCSTN-RDTXWAMCSA-N 2 1 306.425 2.904 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278903433 427491869 /nfs/dbraw/zinc/49/18/69/427491869.db2.gz FZYXROXVKVLXKK-ZFWWWQNUSA-N 2 1 312.417 2.755 20 0 DFADMP c1c[nH]c([C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc2)n1 ZINC000278896542 427492330 /nfs/dbraw/zinc/49/23/30/427492330.db2.gz FHJIBPFXQCRAIT-WMLDXEAASA-N 2 1 307.401 2.548 20 0 DFADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1O ZINC000297990069 427498590 /nfs/dbraw/zinc/49/85/90/427498590.db2.gz YPRXNOLLAARTBO-GDBMZVCRSA-N 2 1 306.450 2.953 20 0 DFADMP CC[NH+](CC)CCN(CCc1c[nH+]cn1C)Cc1ccccc1 ZINC000298000982 427499967 /nfs/dbraw/zinc/49/99/67/427499967.db2.gz ZPMLBBHHAPRYAN-UHFFFAOYSA-N 2 1 314.477 2.807 20 0 DFADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-n2cccn2)c(F)c1 ZINC000298049730 427511639 /nfs/dbraw/zinc/51/16/39/427511639.db2.gz IOJYNQHWDYDBPE-CYBMUJFWSA-N 2 1 313.380 2.638 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000278957482 427513951 /nfs/dbraw/zinc/51/39/51/427513951.db2.gz MCADODOVCNCYJU-QWHCGFSZSA-N 2 1 303.381 2.944 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298068985 427515016 /nfs/dbraw/zinc/51/50/16/427515016.db2.gz KWWSDCBNPKISFR-UHFFFAOYSA-N 2 1 303.406 2.581 20 0 DFADMP COCCCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298076648 427517387 /nfs/dbraw/zinc/51/73/87/427517387.db2.gz LMBDGOPWNLTORP-UHFFFAOYSA-N 2 1 318.461 2.818 20 0 DFADMP C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278980515 427521510 /nfs/dbraw/zinc/52/15/10/427521510.db2.gz PJPBJRBHFDTRAX-NXWXRZEISA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000298195980 427531323 /nfs/dbraw/zinc/53/13/23/427531323.db2.gz CRAVJRLNVGLDCK-IUODEOHRSA-N 2 1 316.367 2.813 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)CC[S@@](C)=O)cc1 ZINC000271422967 427532715 /nfs/dbraw/zinc/53/27/15/427532715.db2.gz AUINACUPCICRRK-FBJOKTGGSA-N 2 1 319.474 2.988 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000271439059 427538218 /nfs/dbraw/zinc/53/82/18/427538218.db2.gz XDGXFGOCTRNPPO-LBPRGKRZSA-N 2 1 322.478 2.886 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(-n2cccn2)cc1 ZINC000279040225 427539365 /nfs/dbraw/zinc/53/93/65/427539365.db2.gz XCICZOHOHSYTSU-HZPDHXFCSA-N 2 1 321.428 2.982 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+]([C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456372 427545465 /nfs/dbraw/zinc/54/54/65/427545465.db2.gz VXPDXTPHRFXALH-GUDVDZBRSA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+]([C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456372 427545470 /nfs/dbraw/zinc/54/54/70/427545470.db2.gz VXPDXTPHRFXALH-GUDVDZBRSA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+]([C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456372 427545480 /nfs/dbraw/zinc/54/54/80/427545480.db2.gz VXPDXTPHRFXALH-GUDVDZBRSA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+]([C@@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456372 427545483 /nfs/dbraw/zinc/54/54/83/427545483.db2.gz VXPDXTPHRFXALH-GUDVDZBRSA-N 2 1 300.446 2.762 20 0 DFADMP c1cc(N2CCC([NH2+]CCCN3CCCCC3)CC2)cc[nH+]1 ZINC000298264798 427552039 /nfs/dbraw/zinc/55/20/39/427552039.db2.gz GBLXDFMZXGHLCC-UHFFFAOYSA-N 2 1 302.466 2.516 20 0 DFADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000192517305 427557367 /nfs/dbraw/zinc/55/73/67/427557367.db2.gz KJYWTVKDBWNFSX-HLLBOEOZSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000192517305 427557375 /nfs/dbraw/zinc/55/73/75/427557375.db2.gz KJYWTVKDBWNFSX-HLLBOEOZSA-N 2 1 308.491 2.975 20 0 DFADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCn1cc[nH+]c1C ZINC000298324515 427571941 /nfs/dbraw/zinc/57/19/41/427571941.db2.gz INMNAUUCDFRHEC-UHFFFAOYSA-N 2 1 315.446 2.876 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000263840508 427587422 /nfs/dbraw/zinc/58/74/22/427587422.db2.gz PYAOADRKEAZSSX-KRWDZBQOSA-N 2 1 319.493 2.745 20 0 DFADMP CN(C)c1ncccc1O[C@@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298497307 427628857 /nfs/dbraw/zinc/62/88/57/427628857.db2.gz JWUDKZJRTRKVTI-CABCVRRESA-N 2 1 319.449 2.558 20 0 DFADMP C[C@@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923606 427635936 /nfs/dbraw/zinc/63/59/36/427635936.db2.gz DIBPOLFZFMLWJU-PKOBYXMFSA-N 2 1 312.461 2.773 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(NC(=O)OC)c2)[C@@H](C)C1 ZINC000287565512 427641577 /nfs/dbraw/zinc/64/15/77/427641577.db2.gz QIQMXCBGOGRUHL-XJKSGUPXSA-N 2 1 305.422 2.685 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583835 427647271 /nfs/dbraw/zinc/64/72/71/427647271.db2.gz CIVPLJVWLVJFDW-ZWKOTPCHSA-N 2 1 303.450 2.547 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583835 427647280 /nfs/dbraw/zinc/64/72/80/427647280.db2.gz CIVPLJVWLVJFDW-ZWKOTPCHSA-N 2 1 303.450 2.547 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583835 427647290 /nfs/dbraw/zinc/64/72/90/427647290.db2.gz CIVPLJVWLVJFDW-ZWKOTPCHSA-N 2 1 303.450 2.547 20 0 DFADMP CCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272146960 427649892 /nfs/dbraw/zinc/64/98/92/427649892.db2.gz CMACAWYQOZICSQ-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NCc1cn(-c2ccncc2)nc1C ZINC000342427794 272011401 /nfs/dbraw/zinc/01/14/01/272011401.db2.gz MXOSFNLMYIUGBK-HNNXBMFYSA-N 2 1 315.465 2.786 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342624297 272032476 /nfs/dbraw/zinc/03/24/76/272032476.db2.gz IGVISWCMYWXMNW-ROUUACIJSA-N 2 1 320.477 2.790 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC3(C)C)cc2)CC1 ZINC000342715639 272045349 /nfs/dbraw/zinc/04/53/49/272045349.db2.gz WLVVGLAWBUHEDA-SFHVURJKSA-N 2 1 301.478 2.712 20 0 DFADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC2(C)C)c1 ZINC000342719172 272046214 /nfs/dbraw/zinc/04/62/14/272046214.db2.gz AHZSVWNTFVKSBX-GOSISDBHSA-N 2 1 320.477 2.922 20 0 DFADMP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000342722024 272046369 /nfs/dbraw/zinc/04/63/69/272046369.db2.gz DJSRWCQQDCTQGC-VWPHEMMRSA-N 2 1 302.462 2.648 20 0 DFADMP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000342722024 272046370 /nfs/dbraw/zinc/04/63/70/272046370.db2.gz DJSRWCQQDCTQGC-VWPHEMMRSA-N 2 1 302.462 2.648 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCn2ccnc2C)C1 ZINC000342862766 272063879 /nfs/dbraw/zinc/06/38/79/272063879.db2.gz CSMSJKIYMNWRMT-RDJZCZTQSA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000342862766 272063882 /nfs/dbraw/zinc/06/38/82/272063882.db2.gz CSMSJKIYMNWRMT-RDJZCZTQSA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000342862766 272063884 /nfs/dbraw/zinc/06/38/84/272063884.db2.gz CSMSJKIYMNWRMT-RDJZCZTQSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1nn(C)c2sc([C@@H](C)[NH2+]CCn3cc[nH+]c3C)cc12 ZINC000287694135 427670634 /nfs/dbraw/zinc/67/06/34/427670634.db2.gz NHAQPIPYDCEJJZ-LLVKDONJSA-N 2 1 303.435 2.799 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)cc(Cl)c1 ZINC000279435563 427671020 /nfs/dbraw/zinc/67/10/20/427671020.db2.gz HAFHBCOKSMBOSX-HRCADAONSA-N 2 1 312.816 2.729 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc(Cl)c1 ZINC000279435563 427671028 /nfs/dbraw/zinc/67/10/28/427671028.db2.gz HAFHBCOKSMBOSX-HRCADAONSA-N 2 1 312.816 2.729 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[N@H+](CC)C[C@@H]1C ZINC000343032859 272077132 /nfs/dbraw/zinc/07/71/32/272077132.db2.gz IBLCFBLBMMQEEV-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343032859 272077134 /nfs/dbraw/zinc/07/71/34/272077134.db2.gz IBLCFBLBMMQEEV-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP Fc1cccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000343250500 272105032 /nfs/dbraw/zinc/10/50/32/272105032.db2.gz ZAGAVUOHQQNHJU-KURKYZTESA-N 2 1 306.425 2.505 20 0 DFADMP Cc1cc(N(C)C[C@H]2OCC[N@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000343321961 272118423 /nfs/dbraw/zinc/11/84/23/272118423.db2.gz PBQLLAHEYCIXMA-RTBURBONSA-N 2 1 311.429 2.898 20 0 DFADMP Cc1cc(N(C)C[C@H]2OCC[N@@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000343321961 272118425 /nfs/dbraw/zinc/11/84/25/272118425.db2.gz PBQLLAHEYCIXMA-RTBURBONSA-N 2 1 311.429 2.898 20 0 DFADMP CN(c1cc[nH+]c(N2CCCCC2)n1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000343330240 272119948 /nfs/dbraw/zinc/11/99/48/272119948.db2.gz FULKEEPGUOZSFM-XYPWUTKMSA-N 2 1 315.465 2.528 20 0 DFADMP CN(c1cc[nH+]c(N2CCCCC2)n1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000343330240 272119950 /nfs/dbraw/zinc/11/99/50/272119950.db2.gz FULKEEPGUOZSFM-XYPWUTKMSA-N 2 1 315.465 2.528 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000343466143 272154481 /nfs/dbraw/zinc/15/44/81/272154481.db2.gz VGOYZCKEKLRNCI-NJAFHUGGSA-N 2 1 317.477 2.668 20 0 DFADMP COC(=O)c1occc1C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000343469290 272154699 /nfs/dbraw/zinc/15/46/99/272154699.db2.gz IWVXWBVAAYFUNI-AWEZNQCLSA-N 2 1 308.422 2.810 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343472006 272154845 /nfs/dbraw/zinc/15/48/45/272154845.db2.gz QCPDRNZYGCPYLM-SFHVURJKSA-N 2 1 321.440 2.762 20 0 DFADMP COC(=O)[C@H]1CCCC[C@@]1(C)[NH2+]CCCCn1cc[nH+]c1C ZINC000343625661 272187541 /nfs/dbraw/zinc/18/75/41/272187541.db2.gz KVSQGUDBSPEBEK-NVXWUHKLSA-N 2 1 307.438 2.683 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000298688111 427678971 /nfs/dbraw/zinc/67/89/71/427678971.db2.gz IJHYMIBRAREVLW-AWEZNQCLSA-N 2 1 300.406 2.589 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1 ZINC000343833678 272228211 /nfs/dbraw/zinc/22/82/11/272228211.db2.gz ZPHPZNLNTLKRCJ-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888288 272231906 /nfs/dbraw/zinc/23/19/06/272231906.db2.gz OWVGMMHJUNTLJL-GPMSIDNRSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888288 272231908 /nfs/dbraw/zinc/23/19/08/272231908.db2.gz OWVGMMHJUNTLJL-GPMSIDNRSA-N 2 1 319.468 2.845 20 0 DFADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343937906 272240589 /nfs/dbraw/zinc/24/05/89/272240589.db2.gz KZQLWOVJTRKNCO-UYAOXDASSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343937906 272240591 /nfs/dbraw/zinc/24/05/91/272240591.db2.gz KZQLWOVJTRKNCO-UYAOXDASSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343937906 272240593 /nfs/dbraw/zinc/24/05/93/272240593.db2.gz KZQLWOVJTRKNCO-UYAOXDASSA-N 2 1 316.489 2.991 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cccc(Cl)c1F)CC[NH+](C)C ZINC000344047063 272252255 /nfs/dbraw/zinc/25/22/55/272252255.db2.gz YFTCDGPAFGHBSM-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000344084072 272259732 /nfs/dbraw/zinc/25/97/32/272259732.db2.gz ASIBXBLGVWHVQL-LBPRGKRZSA-N 2 1 305.809 2.897 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1C ZINC000344136102 272271801 /nfs/dbraw/zinc/27/18/01/272271801.db2.gz UEWJNDXXVPFCNW-UHFFFAOYSA-N 2 1 303.494 2.845 20 0 DFADMP c1cn(-c2csc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cn1 ZINC000344162603 272277371 /nfs/dbraw/zinc/27/73/71/272277371.db2.gz IMQHMHAWZBTCHR-KGLIPLIRSA-N 2 1 302.447 2.650 20 0 DFADMP OCCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000193319537 427682357 /nfs/dbraw/zinc/68/23/57/427682357.db2.gz VYIUQPGNHWPOJQ-YQQQUEKLSA-N 2 1 314.473 2.934 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC3CCOCC3)sc2C1 ZINC000344211689 272287903 /nfs/dbraw/zinc/28/79/03/272287903.db2.gz ONDYVUAEDIPBQL-UHFFFAOYSA-N 2 1 323.506 2.816 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC3CCOCC3)sc2C1 ZINC000344211689 272287905 /nfs/dbraw/zinc/28/79/05/272287905.db2.gz ONDYVUAEDIPBQL-UHFFFAOYSA-N 2 1 323.506 2.816 20 0 DFADMP CCn1ccnc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344268784 272301361 /nfs/dbraw/zinc/30/13/61/272301361.db2.gz WWZKQZCBCCQPPM-HOTGVXAUSA-N 2 1 320.481 2.586 20 0 DFADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000344424129 272329243 /nfs/dbraw/zinc/32/92/43/272329243.db2.gz TYMJQWNYBDMAES-CRAIPNDOSA-N 2 1 324.428 2.596 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000344614945 272348851 /nfs/dbraw/zinc/34/88/51/272348851.db2.gz LOOIRFAIZXNMNW-IKGGRYGDSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344676995 272354999 /nfs/dbraw/zinc/35/49/99/272354999.db2.gz JUURBIOCVPEELI-RWQQGDIJSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000344676995 272355003 /nfs/dbraw/zinc/35/50/03/272355003.db2.gz JUURBIOCVPEELI-RWQQGDIJSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000344676995 272355006 /nfs/dbraw/zinc/35/50/06/272355006.db2.gz JUURBIOCVPEELI-RWQQGDIJSA-N 2 1 301.478 2.894 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000344779600 272367431 /nfs/dbraw/zinc/36/74/31/272367431.db2.gz YVEQOXNOOXNTHQ-IRXDYDNUSA-N 2 1 319.497 2.533 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000344779601 272367991 /nfs/dbraw/zinc/36/79/91/272367991.db2.gz YVEQOXNOOXNTHQ-SJORKVTESA-N 2 1 319.497 2.533 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743810 427697754 /nfs/dbraw/zinc/69/77/54/427697754.db2.gz RULDFLQLFMDPOL-ILZDJORESA-N 2 1 316.489 2.833 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193600332 427700719 /nfs/dbraw/zinc/70/07/19/427700719.db2.gz LQSKQDLPAHUWHZ-OKILXGFUSA-N 2 1 314.351 2.621 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193600332 427700724 /nfs/dbraw/zinc/70/07/24/427700724.db2.gz LQSKQDLPAHUWHZ-OKILXGFUSA-N 2 1 314.351 2.621 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193600332 427700731 /nfs/dbraw/zinc/70/07/31/427700731.db2.gz LQSKQDLPAHUWHZ-OKILXGFUSA-N 2 1 314.351 2.621 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193600332 427700735 /nfs/dbraw/zinc/70/07/35/427700735.db2.gz LQSKQDLPAHUWHZ-OKILXGFUSA-N 2 1 314.351 2.621 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000339183342 427720959 /nfs/dbraw/zinc/72/09/59/427720959.db2.gz DRAICDSCCNGYQT-UAGQMJEPSA-N 2 1 310.482 2.818 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000336872355 427768574 /nfs/dbraw/zinc/76/85/74/427768574.db2.gz MEHBCJHNPLMMGY-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339433432 427773472 /nfs/dbraw/zinc/77/34/72/427773472.db2.gz RLUHONQWGAQVLT-GOSISDBHSA-N 2 1 310.482 2.774 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000339433432 427773473 /nfs/dbraw/zinc/77/34/73/427773473.db2.gz RLUHONQWGAQVLT-GOSISDBHSA-N 2 1 310.482 2.774 20 0 DFADMP CCc1ccc(NC(=O)CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000339433337 427774234 /nfs/dbraw/zinc/77/42/34/427774234.db2.gz OBAVSGFBXCCCKR-LJQANCHMSA-N 2 1 315.461 2.605 20 0 DFADMP COCC[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000301089185 427775025 /nfs/dbraw/zinc/77/50/25/427775025.db2.gz MJXUMVDURGFUKE-UHFFFAOYSA-N 2 1 305.809 2.657 20 0 DFADMP C[C@@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000339439570 427776030 /nfs/dbraw/zinc/77/60/30/427776030.db2.gz XAKCBIWQGXEAPY-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000339439570 427776032 /nfs/dbraw/zinc/77/60/32/427776032.db2.gz XAKCBIWQGXEAPY-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000339439570 427776034 /nfs/dbraw/zinc/77/60/34/427776034.db2.gz XAKCBIWQGXEAPY-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](O)CCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336655989 427746445 /nfs/dbraw/zinc/74/64/45/427746445.db2.gz JULWYXTVBCCOPO-UHOSZYNNSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](O)CCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336655989 427746446 /nfs/dbraw/zinc/74/64/46/427746446.db2.gz JULWYXTVBCCOPO-UHOSZYNNSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](O)CCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336655989 427746449 /nfs/dbraw/zinc/74/64/49/427746449.db2.gz JULWYXTVBCCOPO-UHOSZYNNSA-N 2 1 302.462 2.601 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000336694096 427748398 /nfs/dbraw/zinc/74/83/98/427748398.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@@H+]1CC[C@@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000336694096 427748403 /nfs/dbraw/zinc/74/84/03/427748403.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@H+]1CC[C@@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000336694096 427748407 /nfs/dbraw/zinc/74/84/07/427748407.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+]1CC[C@@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000336694096 427748410 /nfs/dbraw/zinc/74/84/10/427748410.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+]1CC[C@@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336694096 427748414 /nfs/dbraw/zinc/74/84/14/427748414.db2.gz YNDVWOWOSZUSLX-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP CC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1CCOC ZINC000301413380 427794977 /nfs/dbraw/zinc/79/49/77/427794977.db2.gz QABUZJARNZZCKB-OAHLLOKOSA-N 2 1 317.408 2.921 20 0 DFADMP CC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1CCOC ZINC000301413380 427794980 /nfs/dbraw/zinc/79/49/80/427794980.db2.gz QABUZJARNZZCKB-OAHLLOKOSA-N 2 1 317.408 2.921 20 0 DFADMP C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000337206777 427814825 /nfs/dbraw/zinc/81/48/25/427814825.db2.gz NEKIEEVUHGPHOK-SGMGOOAPSA-N 2 1 308.388 2.542 20 0 DFADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301688759 427816365 /nfs/dbraw/zinc/81/63/65/427816365.db2.gz VPFSPQJUTORQNF-KBPBESRZSA-N 2 1 317.408 2.574 20 0 DFADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](CC)CC ZINC000340377580 427833532 /nfs/dbraw/zinc/83/35/32/427833532.db2.gz UMESBHRFFYIYAX-RCCFBDPRSA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000337311244 427837304 /nfs/dbraw/zinc/83/73/04/427837304.db2.gz CAUHMPZNMVVWJW-ROUUACIJSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000337311244 427837307 /nfs/dbraw/zinc/83/73/07/427837307.db2.gz CAUHMPZNMVVWJW-ROUUACIJSA-N 2 1 321.509 2.630 20 0 DFADMP CSC[C@@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346164312 272583283 /nfs/dbraw/zinc/58/32/83/272583283.db2.gz IIXVNIPKCAIDEQ-INIZCTEOSA-N 2 1 302.447 2.903 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H](c2ccccc2)C2CC2)CC1 ZINC000340406447 427840274 /nfs/dbraw/zinc/84/02/74/427840274.db2.gz PEKUAJJTVSMVPC-LJQANCHMSA-N 2 1 302.462 2.881 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc2c1OCO2 ZINC000340425419 427844785 /nfs/dbraw/zinc/84/47/85/427844785.db2.gz IWMZOBZXJYPLHL-UHFFFAOYSA-N 2 1 318.417 2.530 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2Cc3ccccc3C2)CC1 ZINC000337338530 427852315 /nfs/dbraw/zinc/85/23/15/427852315.db2.gz QFOIMDKOOVEXKU-UHFFFAOYSA-N 2 1 315.505 2.502 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1ccnc1C(C)C ZINC000337342735 427855837 /nfs/dbraw/zinc/85/58/37/427855837.db2.gz ROAYIWVXVGQXJX-MRXNPFEDSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000337342735 427855844 /nfs/dbraw/zinc/85/58/44/427855844.db2.gz ROAYIWVXVGQXJX-MRXNPFEDSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000337342735 427855848 /nfs/dbraw/zinc/85/58/48/427855848.db2.gz ROAYIWVXVGQXJX-MRXNPFEDSA-N 2 1 320.481 2.633 20 0 DFADMP Cc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000359473709 427865693 /nfs/dbraw/zinc/86/56/93/427865693.db2.gz NVAGWHOEBIAIGU-CALCHBBNSA-N 2 1 309.413 2.834 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000359473709 427865699 /nfs/dbraw/zinc/86/56/99/427865699.db2.gz NVAGWHOEBIAIGU-CALCHBBNSA-N 2 1 309.413 2.834 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500309 427866090 /nfs/dbraw/zinc/86/60/90/427866090.db2.gz RIAMAXVVJPZEGB-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500309 427866094 /nfs/dbraw/zinc/86/60/94/427866094.db2.gz RIAMAXVVJPZEGB-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500309 427866098 /nfs/dbraw/zinc/86/60/98/427866098.db2.gz RIAMAXVVJPZEGB-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@H](C)C(C)C ZINC000340515005 427870220 /nfs/dbraw/zinc/87/02/20/427870220.db2.gz LIKZRRGGANXQKJ-IRXDYDNUSA-N 2 1 311.514 2.543 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)oc1C ZINC000337385870 427878404 /nfs/dbraw/zinc/87/84/04/427878404.db2.gz HSNBGTNRVUFSSJ-NVXWUHKLSA-N 2 1 307.482 2.819 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCC1 ZINC000359508812 427881515 /nfs/dbraw/zinc/88/15/15/427881515.db2.gz HMEZHPJQNWPSIE-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000359508812 427881526 /nfs/dbraw/zinc/88/15/26/427881526.db2.gz HMEZHPJQNWPSIE-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCC1 ZINC000359508812 427881530 /nfs/dbraw/zinc/88/15/30/427881530.db2.gz HMEZHPJQNWPSIE-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345825069 427921469 /nfs/dbraw/zinc/92/14/69/427921469.db2.gz VRWJCJBPTLIVLE-RYRKJORJSA-N 2 1 309.498 2.665 20 0 DFADMP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340223101 427957918 /nfs/dbraw/zinc/95/79/18/427957918.db2.gz SSHQWMASEIUHMF-RBUKOAKNSA-N 2 1 312.461 2.778 20 0 DFADMP Cn1cc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340223101 427957924 /nfs/dbraw/zinc/95/79/24/427957924.db2.gz SSHQWMASEIUHMF-RBUKOAKNSA-N 2 1 312.461 2.778 20 0 DFADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000359663466 427963482 /nfs/dbraw/zinc/96/34/82/427963482.db2.gz VYGDGXPDULDDHS-QAPCUYQASA-N 2 1 317.477 2.598 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C[C@H]1c1ccccc1 ZINC000340259328 427968248 /nfs/dbraw/zinc/96/82/48/427968248.db2.gz PXZOLHJDJVYESZ-BVBHFADKSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C[C@H]1c1ccccc1 ZINC000340259328 427968251 /nfs/dbraw/zinc/96/82/51/427968251.db2.gz PXZOLHJDJVYESZ-BVBHFADKSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340260581 427969617 /nfs/dbraw/zinc/96/96/17/427969617.db2.gz SUQMGOQQMCQPFV-ZWKOTPCHSA-N 2 1 310.445 2.919 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340260581 427969621 /nfs/dbraw/zinc/96/96/21/427969621.db2.gz SUQMGOQQMCQPFV-ZWKOTPCHSA-N 2 1 310.445 2.919 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C[C@H]1c1ccccc1 ZINC000340262554 427970240 /nfs/dbraw/zinc/97/02/40/427970240.db2.gz LNBFOVVVAQRBPI-LNLFQRSKSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)C[C@H]1c1ccccc1 ZINC000340262554 427970243 /nfs/dbraw/zinc/97/02/43/427970243.db2.gz LNBFOVVVAQRBPI-LNLFQRSKSA-N 2 1 310.445 2.692 20 0 DFADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340261520 427970508 /nfs/dbraw/zinc/97/05/08/427970508.db2.gz VXQYTBVNVZLHSX-LULLPPNCSA-N 2 1 318.461 2.606 20 0 DFADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340261520 427970512 /nfs/dbraw/zinc/97/05/12/427970512.db2.gz VXQYTBVNVZLHSX-LULLPPNCSA-N 2 1 318.461 2.606 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000341033210 427972212 /nfs/dbraw/zinc/97/22/12/427972212.db2.gz KMSQMHLBGXMDNC-DNVCBOLYSA-N 2 1 302.462 2.673 20 0 DFADMP CC(C)[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCCCC1 ZINC000341047745 427979384 /nfs/dbraw/zinc/97/93/84/427979384.db2.gz BSQAQDFDUVNETL-KSZLIROESA-N 2 1 323.525 2.876 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000340311625 427984774 /nfs/dbraw/zinc/98/47/74/427984774.db2.gz IXHREOCSPWTBGQ-RDGPPVDQSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000340311625 427984780 /nfs/dbraw/zinc/98/47/80/427984780.db2.gz IXHREOCSPWTBGQ-RDGPPVDQSA-N 2 1 300.446 2.979 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000340353137 427996162 /nfs/dbraw/zinc/99/61/62/427996162.db2.gz YUECMLOAYXJVHZ-QAPCUYQASA-N 2 1 320.477 2.546 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)CCC[NH3+])cc1)C1CC1 ZINC000340136814 427935842 /nfs/dbraw/zinc/93/58/42/427935842.db2.gz GNMOOBMOQQDGJI-UHFFFAOYSA-N 2 1 317.477 2.918 20 0 DFADMP C[N@H+](CC(=O)NCCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000345886989 427942311 /nfs/dbraw/zinc/94/23/11/427942311.db2.gz PLVRQCRSLVRLAF-UHFFFAOYSA-N 2 1 317.477 2.547 20 0 DFADMP C[N@@H+](CC(=O)NCCC[NH2+]C1CCCCC1)Cc1ccccc1 ZINC000345886989 427942316 /nfs/dbraw/zinc/94/23/16/427942316.db2.gz PLVRQCRSLVRLAF-UHFFFAOYSA-N 2 1 317.477 2.547 20 0 DFADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340181201 427946694 /nfs/dbraw/zinc/94/66/94/427946694.db2.gz MWKLCNHYTLPIFA-MOPGFXCFSA-N 2 1 301.478 2.896 20 0 DFADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000340183135 427948026 /nfs/dbraw/zinc/94/80/26/427948026.db2.gz VFULALGSNKKQKB-RBUKOAKNSA-N 2 1 301.478 2.897 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CCO)c1ccc(Cl)cc1 ZINC000347438972 272789148 /nfs/dbraw/zinc/78/91/48/272789148.db2.gz WBKNVJSDBVQVCW-INIZCTEOSA-N 2 1 307.825 2.948 20 0 DFADMP CCc1nc(NCc2ccc(C[NH+]3CCCC3)cc2)cc(C)[nH+]1 ZINC000341354080 428043837 /nfs/dbraw/zinc/04/38/37/428043837.db2.gz FEHWXLPONYPKNW-UHFFFAOYSA-N 2 1 310.445 3.555 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](OCC(C)C)C1 ZINC000346166484 428047387 /nfs/dbraw/zinc/04/73/87/428047387.db2.gz JLDLGYQDKCAYTA-GOSISDBHSA-N 2 1 314.433 2.823 20 0 DFADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000341383997 428055358 /nfs/dbraw/zinc/05/53/58/428055358.db2.gz WXCBJWXASRMKIW-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000341383997 428055364 /nfs/dbraw/zinc/05/53/64/428055364.db2.gz WXCBJWXASRMKIW-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340361086 427999043 /nfs/dbraw/zinc/99/90/43/427999043.db2.gz ZSMKGUFYQJCMIJ-MSOLQXFVSA-N 2 1 301.478 2.896 20 0 DFADMP COC(=O)[C@@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377195384 428080546 /nfs/dbraw/zinc/08/05/46/428080546.db2.gz DZEKPYBAMOEVPW-MRXNPFEDSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)[C@@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377195384 428080549 /nfs/dbraw/zinc/08/05/49/428080549.db2.gz DZEKPYBAMOEVPW-MRXNPFEDSA-N 2 1 316.445 2.536 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000359934927 428083798 /nfs/dbraw/zinc/08/37/98/428083798.db2.gz OCHMVBCUWFEMBN-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+]2CCCC[C@@H]12 ZINC000359934927 428083802 /nfs/dbraw/zinc/08/38/02/428083802.db2.gz OCHMVBCUWFEMBN-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000359934927 428083809 /nfs/dbraw/zinc/08/38/09/428083809.db2.gz OCHMVBCUWFEMBN-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000359934927 428083815 /nfs/dbraw/zinc/08/38/15/428083815.db2.gz OCHMVBCUWFEMBN-LMCOJAPRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H]1C[N@@H+](CCCCC(F)(F)F)CCN1C1CC[NH+](C)CC1 ZINC000369908300 428088833 /nfs/dbraw/zinc/08/88/33/428088833.db2.gz LFCAIERTUJCFEM-AWEZNQCLSA-N 2 1 321.431 2.819 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCN(Cc2nccn2C)CC1 ZINC000369917072 428089389 /nfs/dbraw/zinc/08/93/89/428089389.db2.gz ASALHDJNYGNNAF-IAGOWNOFSA-N 2 1 304.482 2.754 20 0 DFADMP Cc1nn(C)c(C)c1C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000377300815 428101660 /nfs/dbraw/zinc/10/16/60/428101660.db2.gz XTTQHHAJDVCABA-MRXNPFEDSA-N 2 1 313.449 2.674 20 0 DFADMP Cc1nn(C)c(C)c1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000377300815 428101667 /nfs/dbraw/zinc/10/16/67/428101667.db2.gz XTTQHHAJDVCABA-MRXNPFEDSA-N 2 1 313.449 2.674 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356286534 428105378 /nfs/dbraw/zinc/10/53/78/428105378.db2.gz SRJGZAFWISWCBH-CGTJXYLNSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000351751862 428108997 /nfs/dbraw/zinc/10/89/97/428108997.db2.gz DJCCDWVIEDUNOD-HNAYVOBHSA-N 2 1 310.445 2.785 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000351751862 428109003 /nfs/dbraw/zinc/10/90/03/428109003.db2.gz DJCCDWVIEDUNOD-HNAYVOBHSA-N 2 1 310.445 2.785 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000356296738 428112297 /nfs/dbraw/zinc/11/22/97/428112297.db2.gz VZAQKFPACVNYAU-CQSZACIVSA-N 2 1 306.454 2.522 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351859766 428114495 /nfs/dbraw/zinc/11/44/95/428114495.db2.gz DRIUIUGFVVQWFK-NJAFHUGGSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351859766 428114501 /nfs/dbraw/zinc/11/45/01/428114501.db2.gz DRIUIUGFVVQWFK-NJAFHUGGSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccc3c(c2)OCCO3)CC1 ZINC000360011881 428118011 /nfs/dbraw/zinc/11/80/11/428118011.db2.gz YJWYAWWFCQHNBZ-UHFFFAOYSA-N 2 1 318.461 2.805 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000360028117 428126203 /nfs/dbraw/zinc/12/62/03/428126203.db2.gz CMANCMYYJLAMAI-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000360028117 428126205 /nfs/dbraw/zinc/12/62/05/428126205.db2.gz CMANCMYYJLAMAI-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000360028119 428126390 /nfs/dbraw/zinc/12/63/90/428126390.db2.gz CMANCMYYJLAMAI-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000360028119 428126394 /nfs/dbraw/zinc/12/63/94/428126394.db2.gz CMANCMYYJLAMAI-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP C[N@H+]1CC[C@H](NCc2cc(COC(C)(C)C)on2)[C@H]2CCC[C@H]21 ZINC000377128794 428064356 /nfs/dbraw/zinc/06/43/56/428064356.db2.gz PHYHLWAHXSQVBL-IXDOHACOSA-N 2 1 321.465 2.952 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000360056388 428136603 /nfs/dbraw/zinc/13/66/03/428136603.db2.gz HFWLNDWBKKVGDV-OAGGEKHMSA-N 2 1 323.506 2.555 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352534291 428138080 /nfs/dbraw/zinc/13/80/80/428138080.db2.gz FEIHQCXUKDQZMS-IBGZPJMESA-N 2 1 310.445 2.961 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000352534291 428138084 /nfs/dbraw/zinc/13/80/84/428138084.db2.gz FEIHQCXUKDQZMS-IBGZPJMESA-N 2 1 310.445 2.961 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000360039626 428129735 /nfs/dbraw/zinc/12/97/35/428129735.db2.gz LADCZZUXCCHDEX-BPQIPLTHSA-N 2 1 310.445 2.623 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000370335086 428185077 /nfs/dbraw/zinc/18/50/77/428185077.db2.gz QPGUWVANHGHEML-HIFRSBDPSA-N 2 1 305.397 2.673 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)ccc1F ZINC000377619697 428173603 /nfs/dbraw/zinc/17/36/03/428173603.db2.gz DOHGMSPWPBZTAM-SFHVURJKSA-N 2 1 319.468 2.736 20 0 DFADMP Cc1cc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)ccc1F ZINC000377619697 428173608 /nfs/dbraw/zinc/17/36/08/428173608.db2.gz DOHGMSPWPBZTAM-SFHVURJKSA-N 2 1 319.468 2.736 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)N(C)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000360137736 428178126 /nfs/dbraw/zinc/17/81/26/428178126.db2.gz WQVXKFGKBLAHSH-UHFFFAOYSA-N 2 1 323.525 2.830 20 0 DFADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000370422767 428207015 /nfs/dbraw/zinc/20/70/15/428207015.db2.gz SGNHAVWSDZZADM-PBWTXFEYSA-N 2 1 317.477 2.930 20 0 DFADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)c1 ZINC000370422767 428207017 /nfs/dbraw/zinc/20/70/17/428207017.db2.gz SGNHAVWSDZZADM-PBWTXFEYSA-N 2 1 317.477 2.930 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000414110575 428209296 /nfs/dbraw/zinc/20/92/96/428209296.db2.gz ICNNAIUFIPRLRD-ZBFHGGJFSA-N 2 1 303.450 2.628 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000414110575 428209304 /nfs/dbraw/zinc/20/93/04/428209304.db2.gz ICNNAIUFIPRLRD-ZBFHGGJFSA-N 2 1 303.450 2.628 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]3CCO)sc2C1 ZINC000370428552 428210225 /nfs/dbraw/zinc/21/02/25/428210225.db2.gz QEBRKIQQPVGXJG-ZIAGYGMSSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H]3CCO)sc2C1 ZINC000370428552 428210231 /nfs/dbraw/zinc/21/02/31/428210231.db2.gz QEBRKIQQPVGXJG-ZIAGYGMSSA-N 2 1 323.506 2.550 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000414130573 428215777 /nfs/dbraw/zinc/21/57/77/428215777.db2.gz WRZMNNQUEAXYFY-OAGGEKHMSA-N 2 1 305.466 2.874 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000414130573 428215782 /nfs/dbraw/zinc/21/57/82/428215782.db2.gz WRZMNNQUEAXYFY-OAGGEKHMSA-N 2 1 305.466 2.874 20 0 DFADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1CCC1 ZINC000352718047 428218189 /nfs/dbraw/zinc/21/81/89/428218189.db2.gz DTAQNFLYZPSJEX-UHFFFAOYSA-N 2 1 301.478 2.536 20 0 DFADMP CC1(C)CC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000346568034 428221646 /nfs/dbraw/zinc/22/16/46/428221646.db2.gz WBLHZARVWPCCHR-PKOBYXMFSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000346568034 428221651 /nfs/dbraw/zinc/22/16/51/428221651.db2.gz WBLHZARVWPCCHR-PKOBYXMFSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000346568028 428223180 /nfs/dbraw/zinc/22/31/80/428223180.db2.gz WBLHZARVWPCCHR-IEBWSBKVSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000346568028 428223185 /nfs/dbraw/zinc/22/31/85/428223185.db2.gz WBLHZARVWPCCHR-IEBWSBKVSA-N 2 1 302.462 2.792 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCCNc2ccccc2F)s1 ZINC000352734463 428223417 /nfs/dbraw/zinc/22/34/17/428223417.db2.gz YEXISGOTYOQJDO-UHFFFAOYSA-N 2 1 322.453 2.936 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488015 428223338 /nfs/dbraw/zinc/22/33/38/428223338.db2.gz KFMAWNJSOSNOCN-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488015 428223344 /nfs/dbraw/zinc/22/33/44/428223344.db2.gz KFMAWNJSOSNOCN-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488015 428223350 /nfs/dbraw/zinc/22/33/50/428223350.db2.gz KFMAWNJSOSNOCN-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP COC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172296 428224631 /nfs/dbraw/zinc/22/46/31/428224631.db2.gz DSXYHHYSYSCNQB-GUYCJALGSA-N 2 1 312.404 2.974 20 0 DFADMP C[C@H](CCNCc1ncc(C[NH+](C)C)s1)[NH+]1CCCCC1 ZINC000352736345 428227269 /nfs/dbraw/zinc/22/72/69/428227269.db2.gz LOGRZVDMJFHQQQ-CQSZACIVSA-N 2 1 310.511 2.559 20 0 DFADMP C[C@@H]1C[N@@H+](C(C)(C)CNc2cc[nH+]c3ccccc23)C[C@H](C)O1 ZINC000346588645 428229414 /nfs/dbraw/zinc/22/94/14/428229414.db2.gz AXBRSZMSNGWRLG-GASCZTMLSA-N 2 1 313.445 2.956 20 0 DFADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)C2 ZINC000414203523 428232806 /nfs/dbraw/zinc/23/28/06/428232806.db2.gz ZJTLQUYXAGUCGB-CYGHRXIMSA-N 2 1 300.446 2.625 20 0 DFADMP CCc1ccc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cn1 ZINC000352756874 428235685 /nfs/dbraw/zinc/23/56/85/428235685.db2.gz RQAFUOHUSIKDND-UHFFFAOYSA-N 2 1 305.466 2.623 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000377830172 428237822 /nfs/dbraw/zinc/23/78/22/428237822.db2.gz BLIKZJGHDVFXSB-SCTDSRPQSA-N 2 1 308.429 2.833 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000377830172 428237823 /nfs/dbraw/zinc/23/78/23/428237823.db2.gz BLIKZJGHDVFXSB-SCTDSRPQSA-N 2 1 308.429 2.833 20 0 DFADMP C[C@@H](C(=O)NC(C)(C)C)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000356582309 428241412 /nfs/dbraw/zinc/24/14/12/428241412.db2.gz UDDNCBSUSAMYIL-IXDOHACOSA-N 2 1 323.525 2.876 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000377831704 428240017 /nfs/dbraw/zinc/24/00/17/428240017.db2.gz AQKCQMUTLVKDOJ-GDBMZVCRSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)s1 ZINC000377831704 428240020 /nfs/dbraw/zinc/24/00/20/428240020.db2.gz AQKCQMUTLVKDOJ-GDBMZVCRSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)s1 ZINC000377831704 428240022 /nfs/dbraw/zinc/24/00/22/428240022.db2.gz AQKCQMUTLVKDOJ-GDBMZVCRSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)s1 ZINC000377831704 428240027 /nfs/dbraw/zinc/24/00/27/428240027.db2.gz AQKCQMUTLVKDOJ-GDBMZVCRSA-N 2 1 322.522 2.905 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000360168159 428189596 /nfs/dbraw/zinc/18/95/96/428189596.db2.gz BSUIZTQCWDDDQW-KRWDZBQOSA-N 2 1 324.472 2.704 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000370366167 428192901 /nfs/dbraw/zinc/19/29/01/428192901.db2.gz OJOGKOMTOLJHAU-QFBILLFUSA-N 2 1 310.445 2.519 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000377830173 428240305 /nfs/dbraw/zinc/24/03/05/428240305.db2.gz BLIKZJGHDVFXSB-YQVWRLOYSA-N 2 1 308.429 2.833 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+](C)[C@H](c4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000377830173 428240310 /nfs/dbraw/zinc/24/03/10/428240310.db2.gz BLIKZJGHDVFXSB-YQVWRLOYSA-N 2 1 308.429 2.833 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000414069038 428195835 /nfs/dbraw/zinc/19/58/35/428195835.db2.gz KGLCULLBZRHFBJ-HRCADAONSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000414069038 428195839 /nfs/dbraw/zinc/19/58/39/428195839.db2.gz KGLCULLBZRHFBJ-HRCADAONSA-N 2 1 305.466 2.731 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCc2cnccc2C)C[C@@]2(CCOC2)O1 ZINC000377687696 428197039 /nfs/dbraw/zinc/19/70/39/428197039.db2.gz AQESWODSWKPGPN-QZTJIDSGSA-N 2 1 304.434 2.593 20 0 DFADMP CC[C@@H]1CN(CCCc2cnccc2C)C[C@@]2(CCOC2)O1 ZINC000377687696 428197046 /nfs/dbraw/zinc/19/70/46/428197046.db2.gz AQESWODSWKPGPN-QZTJIDSGSA-N 2 1 304.434 2.593 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000377687393 428197347 /nfs/dbraw/zinc/19/73/47/428197347.db2.gz AKMFRLXBHNYVGU-UHFFFAOYSA-N 2 1 304.413 2.989 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccccc1F ZINC000377687393 428197351 /nfs/dbraw/zinc/19/73/51/428197351.db2.gz AKMFRLXBHNYVGU-UHFFFAOYSA-N 2 1 304.413 2.989 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000370386578 428199318 /nfs/dbraw/zinc/19/93/18/428199318.db2.gz FLYQTJFALIBAFU-JSGCOSHPSA-N 2 1 301.438 2.809 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)cn1 ZINC000414075251 428199418 /nfs/dbraw/zinc/19/94/18/428199418.db2.gz XNEMSQLFKZHOMZ-DOTOQJQBSA-N 2 1 305.466 2.731 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370395914 428201049 /nfs/dbraw/zinc/20/10/49/428201049.db2.gz ROVGQPXNFBUAPX-HUUCEWRRSA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370395914 428201054 /nfs/dbraw/zinc/20/10/54/428201054.db2.gz ROVGQPXNFBUAPX-HUUCEWRRSA-N 2 1 314.408 2.932 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370403580 428201544 /nfs/dbraw/zinc/20/15/44/428201544.db2.gz FSMVYNCNWQFJEV-YOEHRIQHSA-N 2 1 317.408 2.558 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370403580 428201551 /nfs/dbraw/zinc/20/15/51/428201551.db2.gz FSMVYNCNWQFJEV-YOEHRIQHSA-N 2 1 317.408 2.558 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000414088590 428203267 /nfs/dbraw/zinc/20/32/67/428203267.db2.gz CAYFMBWDHYGJMW-CRAIPNDOSA-N 2 1 317.477 2.875 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000414088590 428203274 /nfs/dbraw/zinc/20/32/74/428203274.db2.gz CAYFMBWDHYGJMW-CRAIPNDOSA-N 2 1 317.477 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000352684549 428204134 /nfs/dbraw/zinc/20/41/34/428204134.db2.gz ORSDYPMQPBEESB-LSTHTHJFSA-N 2 1 313.489 2.896 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000352684549 428204138 /nfs/dbraw/zinc/20/41/38/428204138.db2.gz ORSDYPMQPBEESB-LSTHTHJFSA-N 2 1 313.489 2.896 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000414339878 428263407 /nfs/dbraw/zinc/26/34/07/428263407.db2.gz SYQFPZLEFQMTNU-KSZLIROESA-N 2 1 316.445 2.897 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000414339878 428263409 /nfs/dbraw/zinc/26/34/09/428263409.db2.gz SYQFPZLEFQMTNU-KSZLIROESA-N 2 1 316.445 2.897 20 0 DFADMP COc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000360355863 428264874 /nfs/dbraw/zinc/26/48/74/428264874.db2.gz RYJWJTJWDSSWJN-KRWDZBQOSA-N 2 1 304.434 2.984 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351901 428266562 /nfs/dbraw/zinc/26/65/62/428266562.db2.gz SLMBEHNXBONBLM-AHEZYBDSSA-N 2 1 305.441 2.723 20 0 DFADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000352830389 428267616 /nfs/dbraw/zinc/26/76/16/428267616.db2.gz AHDNSZIETLRSMR-VQIMIIECSA-N 2 1 307.526 2.842 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000370663437 428268002 /nfs/dbraw/zinc/26/80/02/428268002.db2.gz VENZHROBBSBAEP-LZQZEXGQSA-N 2 1 302.462 2.912 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000370663437 428268008 /nfs/dbraw/zinc/26/80/08/428268008.db2.gz VENZHROBBSBAEP-LZQZEXGQSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H](CC1CC1)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370662083 428268340 /nfs/dbraw/zinc/26/83/40/428268340.db2.gz IRHUIBMXNKPDDQ-MRXNPFEDSA-N 3 1 307.526 2.961 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000377948619 428268519 /nfs/dbraw/zinc/26/85/19/428268519.db2.gz UCJGMDOPJQSADM-GRGSLBFTSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000377948619 428268527 /nfs/dbraw/zinc/26/85/27/428268527.db2.gz UCJGMDOPJQSADM-GRGSLBFTSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377948619 428268530 /nfs/dbraw/zinc/26/85/30/428268530.db2.gz UCJGMDOPJQSADM-GRGSLBFTSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000377948619 428268539 /nfs/dbraw/zinc/26/85/39/428268539.db2.gz UCJGMDOPJQSADM-GRGSLBFTSA-N 2 1 318.436 2.584 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000346681139 428270067 /nfs/dbraw/zinc/27/00/67/428270067.db2.gz OLABXBZOBFZKDR-GHMZBOCLSA-N 2 1 306.360 2.524 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000346681139 428270071 /nfs/dbraw/zinc/27/00/71/428270071.db2.gz OLABXBZOBFZKDR-GHMZBOCLSA-N 2 1 306.360 2.524 20 0 DFADMP COc1cc2c(c(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c1)O[C@H](C)C2 ZINC000346679398 428270363 /nfs/dbraw/zinc/27/03/63/428270363.db2.gz MRDLGBBJTDXNOK-DYVFJYSZSA-N 2 1 306.450 2.824 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1)O[C@H](C)C2 ZINC000346679398 428270369 /nfs/dbraw/zinc/27/03/69/428270369.db2.gz MRDLGBBJTDXNOK-DYVFJYSZSA-N 2 1 306.450 2.824 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000414356005 428271017 /nfs/dbraw/zinc/27/10/17/428271017.db2.gz ZOVXTDGQNKJEJJ-RYRKJORJSA-N 2 1 303.425 2.621 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346693728 428275833 /nfs/dbraw/zinc/27/58/33/428275833.db2.gz PFAIVMRYZCGNGE-OLZOCXBDSA-N 2 1 304.825 2.695 20 0 DFADMP Cc1occc1CN1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000414376785 428277047 /nfs/dbraw/zinc/27/70/47/428277047.db2.gz DAQRAVWZNLUDOW-IYBDPMFKSA-N 2 1 305.466 2.578 20 0 DFADMP Cc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)nn1 ZINC000414376475 428277750 /nfs/dbraw/zinc/27/77/50/428277750.db2.gz COQMAPCRSIFAER-SJORKVTESA-N 2 1 302.466 2.871 20 0 DFADMP Cc1nn2c(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000346700344 428279655 /nfs/dbraw/zinc/27/96/55/428279655.db2.gz GVEZJKPYMWFDEP-AAEUAGOBSA-N 2 1 321.494 2.795 20 0 DFADMP Cc1nn2c(C[NH2+][C@H]3CCN(C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000346700344 428279659 /nfs/dbraw/zinc/27/96/59/428279659.db2.gz GVEZJKPYMWFDEP-AAEUAGOBSA-N 2 1 321.494 2.795 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCCC23CCOCC3)s1 ZINC000352859109 428281567 /nfs/dbraw/zinc/28/15/67/428281567.db2.gz QLQPRHIMGYQWLG-AWEZNQCLSA-N 2 1 309.479 2.644 20 0 DFADMP C[C@@H](F)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352882260 428292467 /nfs/dbraw/zinc/29/24/67/428292467.db2.gz GWOUHNWTVIJJIL-MJGOQNOKSA-N 2 1 319.468 2.627 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444576 428296952 /nfs/dbraw/zinc/29/69/52/428296952.db2.gz QAVUSCBGOAUROT-WCQYABFASA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444576 428296957 /nfs/dbraw/zinc/29/69/57/428296957.db2.gz QAVUSCBGOAUROT-WCQYABFASA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444576 428296960 /nfs/dbraw/zinc/29/69/60/428296960.db2.gz QAVUSCBGOAUROT-WCQYABFASA-N 2 1 312.360 2.780 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000414254038 428241935 /nfs/dbraw/zinc/24/19/35/428241935.db2.gz IRRMZUHQECKLKH-UHFFFAOYSA-N 2 1 316.424 2.895 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000377840132 428242233 /nfs/dbraw/zinc/24/22/33/428242233.db2.gz POYAIGGWTLJFBP-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC1CCCC1 ZINC000346617460 428242398 /nfs/dbraw/zinc/24/23/98/428242398.db2.gz HFIJRYSLYFVUOM-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CCOC ZINC000414276658 428247867 /nfs/dbraw/zinc/24/78/67/428247867.db2.gz YIHAPLDZZKKIPI-BHIYHBOVSA-N 2 1 320.477 2.538 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)CCOC ZINC000414276658 428247872 /nfs/dbraw/zinc/24/78/72/428247872.db2.gz YIHAPLDZZKKIPI-BHIYHBOVSA-N 2 1 320.477 2.538 20 0 DFADMP COc1cc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc(OC)c1 ZINC000377858253 428248622 /nfs/dbraw/zinc/24/86/22/428248622.db2.gz XHLXCVPSYNLOCG-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc(OC)c1 ZINC000377858253 428248626 /nfs/dbraw/zinc/24/86/26/428248626.db2.gz XHLXCVPSYNLOCG-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)[C@H](C)OC ZINC000414270338 428248743 /nfs/dbraw/zinc/24/87/43/428248743.db2.gz PRDDYXHSOGTUSK-RNIPGJKVSA-N 2 1 320.477 2.537 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)[C@H](C)OC ZINC000414270338 428248748 /nfs/dbraw/zinc/24/87/48/428248748.db2.gz PRDDYXHSOGTUSK-RNIPGJKVSA-N 2 1 320.477 2.537 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@H]2CCCC[C@H]2O)s1 ZINC000352789201 428249220 /nfs/dbraw/zinc/24/92/20/428249220.db2.gz MWCNHVPOSRSCRH-UKRRQHHQSA-N 2 1 311.495 2.626 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346631806 428249332 /nfs/dbraw/zinc/24/93/32/428249332.db2.gz CLJRWHUBONXJOX-IUODEOHRSA-N 2 1 316.424 2.797 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000356604763 428250779 /nfs/dbraw/zinc/25/07/79/428250779.db2.gz SUKMOPSEPUJXMH-HNNXBMFYSA-N 2 1 305.466 2.598 20 0 DFADMP C[C@H](O)CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813492 428260976 /nfs/dbraw/zinc/26/09/76/428260976.db2.gz BTEZGRNWRXFXSJ-HKUYNNGSSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](O)CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813492 428260981 /nfs/dbraw/zinc/26/09/81/428260981.db2.gz BTEZGRNWRXFXSJ-HKUYNNGSSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](O)CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813492 428260982 /nfs/dbraw/zinc/26/09/82/428260982.db2.gz BTEZGRNWRXFXSJ-HKUYNNGSSA-N 2 1 302.462 2.745 20 0 DFADMP Cc1nn(-c2ccncc2)cc1CN1CCO[C@@H](C2CCC2)C1 ZINC000414474405 428307004 /nfs/dbraw/zinc/30/70/04/428307004.db2.gz SFTSCCKTWZPASJ-GOSISDBHSA-N 2 1 312.417 2.577 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342116742 428308936 /nfs/dbraw/zinc/30/89/36/428308936.db2.gz YQGWKGQOOHVBEC-OEAJRASXSA-N 2 1 312.417 2.857 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342116742 428308940 /nfs/dbraw/zinc/30/89/40/428308940.db2.gz YQGWKGQOOHVBEC-OEAJRASXSA-N 2 1 312.417 2.857 20 0 DFADMP Cc1nc(NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c(C)c(C)[nH+]1 ZINC000378157846 428320541 /nfs/dbraw/zinc/32/05/41/428320541.db2.gz IUEHXLBNXGZNKL-ZBFHGGJFSA-N 2 1 316.474 3.568 20 0 DFADMP Cc1nc(NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)c(C)c(C)[nH+]1 ZINC000378157846 428320548 /nfs/dbraw/zinc/32/05/48/428320548.db2.gz IUEHXLBNXGZNKL-ZBFHGGJFSA-N 2 1 316.474 3.568 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCOC1 ZINC000356840451 428334023 /nfs/dbraw/zinc/33/40/23/428334023.db2.gz FLTZJFRJZSOUGP-MTQWCTHYSA-N 2 1 314.473 2.913 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cnc21 ZINC000346829889 428334302 /nfs/dbraw/zinc/33/43/02/428334302.db2.gz OJQYUUCAKDFRKU-UAGQMJEPSA-N 2 1 313.449 2.571 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CCOCC1 ZINC000360582349 428355996 /nfs/dbraw/zinc/35/59/96/428355996.db2.gz QGDMOPOFAITONE-MJGOQNOKSA-N 2 1 316.489 2.973 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000346833668 428336539 /nfs/dbraw/zinc/33/65/39/428336539.db2.gz MHKNMESRVSTDCX-RYQLBKOJSA-N 2 1 310.445 2.944 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378208779 428336651 /nfs/dbraw/zinc/33/66/51/428336651.db2.gz HSAZYHJUHVFIEA-WMLDXEAASA-N 2 1 306.454 2.688 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346837230 428338651 /nfs/dbraw/zinc/33/86/51/428338651.db2.gz PQPZPGKGCUIZRK-JYJNAYRXSA-N 2 1 304.434 2.653 20 0 DFADMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c1OC(C)C ZINC000346843590 428342830 /nfs/dbraw/zinc/34/28/30/428342830.db2.gz KICIBFWGHBJKFG-IMJJTQAJSA-N 2 1 304.434 2.652 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840104 428342911 /nfs/dbraw/zinc/34/29/11/428342911.db2.gz ZIVGZRSTVWGNTF-GBESFXJTSA-N 2 1 315.505 2.814 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840104 428342916 /nfs/dbraw/zinc/34/29/16/428342916.db2.gz ZIVGZRSTVWGNTF-GBESFXJTSA-N 2 1 315.505 2.814 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840104 428342922 /nfs/dbraw/zinc/34/29/22/428342922.db2.gz ZIVGZRSTVWGNTF-GBESFXJTSA-N 2 1 315.505 2.814 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840104 428342928 /nfs/dbraw/zinc/34/29/28/428342928.db2.gz ZIVGZRSTVWGNTF-GBESFXJTSA-N 3 1 315.505 2.814 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840104 428342932 /nfs/dbraw/zinc/34/29/32/428342932.db2.gz ZIVGZRSTVWGNTF-GBESFXJTSA-N 3 1 315.505 2.814 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840104 428342940 /nfs/dbraw/zinc/34/29/40/428342940.db2.gz ZIVGZRSTVWGNTF-GBESFXJTSA-N 3 1 315.505 2.814 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346840104 428342942 /nfs/dbraw/zinc/34/29/42/428342942.db2.gz ZIVGZRSTVWGNTF-GBESFXJTSA-N 3 1 315.505 2.814 20 0 DFADMP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346850583 428344583 /nfs/dbraw/zinc/34/45/83/428344583.db2.gz UQBSFXKWENTTFF-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@@H]2CCC[NH2+]C2)c1 ZINC000346850583 428344588 /nfs/dbraw/zinc/34/45/88/428344588.db2.gz UQBSFXKWENTTFF-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC(C)C ZINC000346855630 428346859 /nfs/dbraw/zinc/34/68/59/428346859.db2.gz UYZUNPCKFWVYHC-YESZJQIVSA-N 2 1 318.461 2.899 20 0 DFADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000371069421 428351560 /nfs/dbraw/zinc/35/15/60/428351560.db2.gz NEVDBULEKPEDNW-LSDHHAIUSA-N 2 1 307.438 2.813 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@@H]3CCCOC3)CCCC2)CC1 ZINC000356891544 428353770 /nfs/dbraw/zinc/35/37/70/428353770.db2.gz GXGBYLDLDOKTBT-IAGOWNOFSA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000360572437 428354707 /nfs/dbraw/zinc/35/47/07/428354707.db2.gz KHHSRUXFIYYZIC-SJORKVTESA-N 2 1 316.449 2.609 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342100417 428299632 /nfs/dbraw/zinc/29/96/32/428299632.db2.gz KFOGBJZSVDAKON-NOXHYTERSA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342100417 428299636 /nfs/dbraw/zinc/29/96/36/428299636.db2.gz KFOGBJZSVDAKON-NOXHYTERSA-N 2 1 321.852 2.726 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000159256261 273650089 /nfs/dbraw/zinc/65/00/89/273650089.db2.gz ZMEGSMCOMRPFDT-LBPRGKRZSA-N 2 1 324.856 2.526 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342102441 428301621 /nfs/dbraw/zinc/30/16/21/428301621.db2.gz MCNULSSWEAUYTI-CGTJXYLNSA-N 2 1 323.440 2.838 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342102441 428301626 /nfs/dbraw/zinc/30/16/26/428301626.db2.gz MCNULSSWEAUYTI-CGTJXYLNSA-N 2 1 323.440 2.838 20 0 DFADMP CC[N@@H+](CC(=O)Nc1cccc(CC[NH+](C)C2CC2)c1)C1CC1 ZINC000342109187 428302924 /nfs/dbraw/zinc/30/29/24/428302924.db2.gz VAADXXOYTCOYRU-UHFFFAOYSA-N 2 1 315.461 2.746 20 0 DFADMP CC[NH+](CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)C1CC1 ZINC000342109187 428302930 /nfs/dbraw/zinc/30/29/30/428302930.db2.gz VAADXXOYTCOYRU-UHFFFAOYSA-N 2 1 315.461 2.746 20 0 DFADMP CC[NH+](CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)C1CC1 ZINC000342109187 428302936 /nfs/dbraw/zinc/30/29/36/428302936.db2.gz VAADXXOYTCOYRU-UHFFFAOYSA-N 2 1 315.461 2.746 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357098913 428388471 /nfs/dbraw/zinc/38/84/71/428388471.db2.gz BXGCAPQMJARUBR-ZIAGYGMSSA-N 2 1 314.351 2.669 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357098913 428388475 /nfs/dbraw/zinc/38/84/75/428388475.db2.gz BXGCAPQMJARUBR-ZIAGYGMSSA-N 2 1 314.351 2.669 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000414728110 428388703 /nfs/dbraw/zinc/38/87/03/428388703.db2.gz CADXRCGJVLKTDR-HZPDHXFCSA-N 2 1 303.450 2.711 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000414728110 428388708 /nfs/dbraw/zinc/38/87/08/428388708.db2.gz CADXRCGJVLKTDR-HZPDHXFCSA-N 2 1 303.450 2.711 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346983823 428394389 /nfs/dbraw/zinc/39/43/89/428394389.db2.gz NSZVNWTZPNOWDB-PKOBYXMFSA-N 3 1 307.526 2.963 20 0 DFADMP Fc1ccc(C2([NH2+]C[C@H]3CCC[NH2+]C3)CCOCC2)c(F)c1 ZINC000346980892 428394583 /nfs/dbraw/zinc/39/45/83/428394583.db2.gz MCJOUGOVCJMQSX-ZDUSSCGKSA-N 2 1 310.388 2.560 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)cc(Cl)c2)CC12CCOCC2 ZINC000414773228 428400309 /nfs/dbraw/zinc/40/03/09/428400309.db2.gz DFAZFYKSHOPYHT-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)cc(Cl)c2)CC12CCOCC2 ZINC000414773228 428400317 /nfs/dbraw/zinc/40/03/17/428400317.db2.gz DFAZFYKSHOPYHT-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP Cc1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)n1-c1ccccc1 ZINC000414771552 428400552 /nfs/dbraw/zinc/40/05/52/428400552.db2.gz RJUCNTWQSBJMDK-CALCHBBNSA-N 2 1 310.445 2.612 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)cn1 ZINC000414774678 428400803 /nfs/dbraw/zinc/40/08/03/428400803.db2.gz FSGXTIAZKHZKAC-CABCVRRESA-N 2 1 316.474 2.755 20 0 DFADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773075 428402019 /nfs/dbraw/zinc/40/20/19/428402019.db2.gz CTYDDMYRJAPCLL-DZKIICNBSA-N 2 1 321.490 2.816 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CC12CCOCC2 ZINC000414773732 428402101 /nfs/dbraw/zinc/40/21/01/428402101.db2.gz DULMABGVLVTDJC-XGBNDESESA-N 2 1 304.409 2.526 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC12CCOCC2 ZINC000414773722 428402118 /nfs/dbraw/zinc/40/21/18/428402118.db2.gz DULMABGVLVTDJC-AIMAZDRCSA-N 2 1 304.409 2.526 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772179 428402247 /nfs/dbraw/zinc/40/22/47/428402247.db2.gz BGPSAIZRJGXCSZ-ZIAGYGMSSA-N 2 1 316.474 2.960 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)ccc1Cl ZINC000414777974 428404786 /nfs/dbraw/zinc/40/47/86/428404786.db2.gz ISQRVABTPZAQEA-OAHLLOKOSA-N 2 1 308.853 2.836 20 0 DFADMP C[C@@H](CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775727 428405283 /nfs/dbraw/zinc/40/52/83/428405283.db2.gz GNGDJFPAYZTOCO-WMZOPIPTSA-N 2 1 302.462 2.868 20 0 DFADMP Cc1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784290 428405866 /nfs/dbraw/zinc/40/58/66/428405866.db2.gz RCTARTWBDTXNOF-OAHLLOKOSA-N 2 1 314.429 2.929 20 0 DFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000371879947 428406401 /nfs/dbraw/zinc/40/64/01/428406401.db2.gz NFPBNTSOWBQURL-MJGOQNOKSA-N 2 1 317.452 2.525 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000371879947 428406405 /nfs/dbraw/zinc/40/64/05/428406405.db2.gz NFPBNTSOWBQURL-MJGOQNOKSA-N 2 1 317.452 2.525 20 0 DFADMP C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000347007617 428408961 /nfs/dbraw/zinc/40/89/61/428408961.db2.gz RAUUPIQMHRKKNL-IRXDYDNUSA-N 2 1 303.494 2.827 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787194 428410466 /nfs/dbraw/zinc/41/04/66/428410466.db2.gz VIQBMQMDLXXSDA-CVEARBPZSA-N 2 1 316.445 2.669 20 0 DFADMP c1cc(CCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414787651 428410741 /nfs/dbraw/zinc/41/07/41/428410741.db2.gz VSAJTOPWCNABCU-MOPGFXCFSA-N 2 1 314.473 2.876 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000378299461 428357646 /nfs/dbraw/zinc/35/76/46/428357646.db2.gz OZKHMWGVPOTLTJ-QGZVFWFLSA-N 2 1 321.896 2.799 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3ccc(Cl)cc3)C2)CC1 ZINC000378299461 428357652 /nfs/dbraw/zinc/35/76/52/428357652.db2.gz OZKHMWGVPOTLTJ-QGZVFWFLSA-N 2 1 321.896 2.799 20 0 DFADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000414794126 428413169 /nfs/dbraw/zinc/41/31/69/428413169.db2.gz LLPJENDIOGHEMA-GFCCVEGCSA-N 2 1 308.319 2.840 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@@H+]3CCC[C@@H]3CO1)CCC2 ZINC000371106357 428359500 /nfs/dbraw/zinc/35/95/00/428359500.db2.gz KBEJRRMMQWDXRM-ZIFCJYIRSA-N 2 1 300.446 2.825 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[N@H+]3CCC[C@@H]3CO1)CCC2 ZINC000371106357 428359504 /nfs/dbraw/zinc/35/95/04/428359504.db2.gz KBEJRRMMQWDXRM-ZIFCJYIRSA-N 2 1 300.446 2.825 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)[C@H](C)C1 ZINC000356920571 428360748 /nfs/dbraw/zinc/36/07/48/428360748.db2.gz QAAXERWLIZRIKI-KURKYZTESA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670251 428370758 /nfs/dbraw/zinc/37/07/58/428370758.db2.gz CSROAWDXTGIETD-ZIAGYGMSSA-N 2 1 323.868 2.530 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414675264 428371330 /nfs/dbraw/zinc/37/13/30/428371330.db2.gz FNRRKTCYPFLKAB-GJZGRUSLSA-N 2 1 306.450 2.832 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683230 428372178 /nfs/dbraw/zinc/37/21/78/428372178.db2.gz ZRFFZFLHJUJRAQ-GHMZBOCLSA-N 2 1 301.228 2.862 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)CC[NH2+]1 ZINC000414682640 428372953 /nfs/dbraw/zinc/37/29/53/428372953.db2.gz YUNUWNVTNRGDQF-OLZOCXBDSA-N 2 1 309.841 2.598 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683233 428373305 /nfs/dbraw/zinc/37/33/05/428373305.db2.gz ZRFFZFLHJUJRAQ-WDEREUQCSA-N 2 1 301.228 2.862 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000371205088 428378557 /nfs/dbraw/zinc/37/85/57/428378557.db2.gz NSJBLIKBYATXMZ-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](CO)C3CCCC3)sc2C1 ZINC000353086174 428379385 /nfs/dbraw/zinc/37/93/85/428379385.db2.gz WDMARUXWUMCCTE-HNNXBMFYSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](CO)C3CCCC3)sc2C1 ZINC000353086174 428379391 /nfs/dbraw/zinc/37/93/91/428379391.db2.gz WDMARUXWUMCCTE-HNNXBMFYSA-N 2 1 323.506 2.550 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCC(=O)NC(C)C)CC1)CC1CC1 ZINC000357071860 428380446 /nfs/dbraw/zinc/38/04/46/428380446.db2.gz CABSIQHXFMPWGT-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)ccn1 ZINC000357070964 428380479 /nfs/dbraw/zinc/38/04/79/428380479.db2.gz BHDFNYZIFINNEG-RBUKOAKNSA-N 2 1 323.440 2.702 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)ccn1 ZINC000357070964 428380486 /nfs/dbraw/zinc/38/04/86/428380486.db2.gz BHDFNYZIFINNEG-RBUKOAKNSA-N 2 1 323.440 2.702 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371294532 428380831 /nfs/dbraw/zinc/38/08/31/428380831.db2.gz LLFWCIXFVDRELC-IPMKNSEASA-N 2 1 302.462 2.987 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414702561 428381964 /nfs/dbraw/zinc/38/19/64/428381964.db2.gz HZODSBPREWCYCZ-KFWWJZLASA-N 2 1 324.469 2.623 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414702561 428381969 /nfs/dbraw/zinc/38/19/69/428381969.db2.gz HZODSBPREWCYCZ-KFWWJZLASA-N 2 1 324.469 2.623 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)C1)CC(F)(F)F ZINC000414711486 428384057 /nfs/dbraw/zinc/38/40/57/428384057.db2.gz SNFJZTPPOZBSAP-ZNMIVQPWSA-N 2 1 321.431 2.581 20 0 DFADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C)no2)CC1)CC1CC1 ZINC000357092622 428384247 /nfs/dbraw/zinc/38/42/47/428384247.db2.gz ZHUXOZZDWBKPMI-UHFFFAOYSA-N 2 1 306.454 2.712 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C)no2)CC1)CC1CC1 ZINC000357092622 428384256 /nfs/dbraw/zinc/38/42/56/428384256.db2.gz ZHUXOZZDWBKPMI-UHFFFAOYSA-N 2 1 306.454 2.712 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC000346956149 428385391 /nfs/dbraw/zinc/38/53/91/428385391.db2.gz CHGALHMZUMAOAH-SFHVURJKSA-N 2 1 312.498 2.626 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000378586929 428433515 /nfs/dbraw/zinc/43/35/15/428433515.db2.gz ZZDJQBUXUHNRRO-QGZVFWFLSA-N 2 1 309.417 2.878 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](n2cc3ccccc3n2)C1 ZINC000378586929 428433521 /nfs/dbraw/zinc/43/35/21/428433521.db2.gz ZZDJQBUXUHNRRO-QGZVFWFLSA-N 2 1 309.417 2.878 20 0 DFADMP C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414856554 428434590 /nfs/dbraw/zinc/43/45/90/428434590.db2.gz OIPOESIZPNZHGQ-AEFFLSMTSA-N 2 1 301.478 2.629 20 0 DFADMP CC[NH+]1CCC([N@H+](C)C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347089238 428439121 /nfs/dbraw/zinc/43/91/21/428439121.db2.gz ZQWSUJYPBOFELW-QGZVFWFLSA-N 2 1 310.869 2.660 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347089238 428439124 /nfs/dbraw/zinc/43/91/24/428439124.db2.gz ZQWSUJYPBOFELW-QGZVFWFLSA-N 2 1 310.869 2.660 20 0 DFADMP Cc1cccn2c(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)cnc12 ZINC000360790188 428440469 /nfs/dbraw/zinc/44/04/69/428440469.db2.gz BSTKEGZCDLQMCD-NJAFHUGGSA-N 2 1 310.445 2.559 20 0 DFADMP COCc1ccccc1/C=C(/C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000353229183 428440866 /nfs/dbraw/zinc/44/08/66/428440866.db2.gz DIUSZRGWKVOYRD-GWLSCYRCSA-N 2 1 300.446 2.730 20 0 DFADMP COCc1ccccc1/C=C(/C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000353229183 428440871 /nfs/dbraw/zinc/44/08/71/428440871.db2.gz DIUSZRGWKVOYRD-GWLSCYRCSA-N 2 1 300.446 2.730 20 0 DFADMP COCc1ccccc1/C=C(/C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000353229183 428440874 /nfs/dbraw/zinc/44/08/74/428440874.db2.gz DIUSZRGWKVOYRD-GWLSCYRCSA-N 2 1 300.446 2.730 20 0 DFADMP COCc1ccccc1/C=C(/C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000353229183 428440878 /nfs/dbraw/zinc/44/08/78/428440878.db2.gz DIUSZRGWKVOYRD-GWLSCYRCSA-N 2 1 300.446 2.730 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357228212 428442289 /nfs/dbraw/zinc/44/22/89/428442289.db2.gz FPRLUPWSEOYUQV-CYGHRXIMSA-N 2 1 322.518 2.599 20 0 DFADMP CC(C)C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357224951 428443870 /nfs/dbraw/zinc/44/38/70/428443870.db2.gz BZGCVAFMKFDBLW-NZSAHSFTSA-N 2 1 304.478 2.894 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357238062 428447819 /nfs/dbraw/zinc/44/78/19/428447819.db2.gz PMSOBBIWVJAYDR-BPQIPLTHSA-N 2 1 322.518 2.601 20 0 DFADMP C[C@H]1C[C@@H](NCC[C@H]2CCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000414901352 428450769 /nfs/dbraw/zinc/45/07/69/428450769.db2.gz GDFARDSIEQYQPM-UHOSZYNNSA-N 2 1 301.478 2.771 20 0 DFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCCC(C)C)CC2)CC1 ZINC000372469374 428451054 /nfs/dbraw/zinc/45/10/54/428451054.db2.gz WGZWRGWMYULOSZ-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414908227 428452757 /nfs/dbraw/zinc/45/27/57/428452757.db2.gz BDRZSRDGJXBRLJ-JMSVASOKSA-N 2 1 311.267 2.968 20 0 DFADMP C[C@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379664609 428452741 /nfs/dbraw/zinc/45/27/41/428452741.db2.gz PTGUJFCJMHHHIA-RDJZCZTQSA-N 2 1 317.477 2.673 20 0 DFADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000347115768 428453714 /nfs/dbraw/zinc/45/37/14/428453714.db2.gz UDVACMQPKUQGSQ-UHFFFAOYSA-N 2 1 312.841 2.931 20 0 DFADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)cc(Cl)c1OC ZINC000347115768 428453720 /nfs/dbraw/zinc/45/37/20/428453720.db2.gz UDVACMQPKUQGSQ-UHFFFAOYSA-N 2 1 312.841 2.931 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414914700 428453828 /nfs/dbraw/zinc/45/38/28/428453828.db2.gz LGHMHCITFAVXNA-ZDUSSCGKSA-N 2 1 313.239 2.689 20 0 DFADMP c1cc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc2c1OCO2 ZINC000347121113 428456402 /nfs/dbraw/zinc/45/64/02/428456402.db2.gz CHGMGOATOXTYSI-HUUCEWRRSA-N 2 1 300.402 2.621 20 0 DFADMP c1cc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc2c1OCO2 ZINC000347121113 428456406 /nfs/dbraw/zinc/45/64/06/428456406.db2.gz CHGMGOATOXTYSI-HUUCEWRRSA-N 2 1 300.402 2.621 20 0 DFADMP Cc1cnn(CCCCC[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000372527092 428456775 /nfs/dbraw/zinc/45/67/75/428456775.db2.gz NJWQUEUTKNZJNW-KRWDZBQOSA-N 2 1 315.465 2.753 20 0 DFADMP Cc1cnn(CCCCC[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000372527092 428456781 /nfs/dbraw/zinc/45/67/81/428456781.db2.gz NJWQUEUTKNZJNW-KRWDZBQOSA-N 2 1 315.465 2.753 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000414924107 428459084 /nfs/dbraw/zinc/45/90/84/428459084.db2.gz GGFWTFHTXJFZJW-QKPAOTATSA-N 2 1 310.482 2.722 20 0 DFADMP COc1sc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000414928358 428459558 /nfs/dbraw/zinc/45/95/58/428459558.db2.gz AVBZGXSJUAFHNG-BDAKNGLRSA-N 2 1 319.268 2.749 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414924245 428460072 /nfs/dbraw/zinc/46/00/72/428460072.db2.gz IMPLCBNKHAHOTI-FVQBIDKESA-N 2 1 306.450 2.613 20 0 DFADMP CC[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000360850140 428462750 /nfs/dbraw/zinc/46/27/50/428462750.db2.gz BCNFEXHTAWTZIF-ZNMIVQPWSA-N 2 1 305.470 2.528 20 0 DFADMP C[N@H+](CCCOCc1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372577442 428464613 /nfs/dbraw/zinc/46/46/13/428464613.db2.gz YEHMTUYCWGYGRY-SFHVURJKSA-N 2 1 313.445 2.984 20 0 DFADMP C[N@@H+](CCCOCc1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372577442 428464618 /nfs/dbraw/zinc/46/46/18/428464618.db2.gz YEHMTUYCWGYGRY-SFHVURJKSA-N 2 1 313.445 2.984 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)OCCO2 ZINC000347138871 428464729 /nfs/dbraw/zinc/46/47/29/428464729.db2.gz VKOWCEKNGKEBCR-STQMWFEESA-N 2 1 322.474 2.739 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)OCCO2 ZINC000347138871 428464736 /nfs/dbraw/zinc/46/47/36/428464736.db2.gz VKOWCEKNGKEBCR-STQMWFEESA-N 2 1 322.474 2.739 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[NH2+]1 ZINC000414947325 428465226 /nfs/dbraw/zinc/46/52/26/428465226.db2.gz KQJTYOFFBWGGFA-QAPCUYQASA-N 2 1 311.429 2.891 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(SC)cc1OC ZINC000414945682 428465659 /nfs/dbraw/zinc/46/56/59/428465659.db2.gz IQYQIBYOSOUPJN-AAEUAGOBSA-N 2 1 310.463 2.656 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000414947859 428465853 /nfs/dbraw/zinc/46/58/53/428465853.db2.gz XFVUNFKUNJVUQS-YJBOKZPZSA-N 2 1 311.429 2.748 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347033686 428415055 /nfs/dbraw/zinc/41/50/55/428415055.db2.gz FFOYULVZJPJCHS-OWCLPIDISA-N 2 1 311.514 2.637 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000347034917 428415942 /nfs/dbraw/zinc/41/59/42/428415942.db2.gz PBUXQJFXISPRJW-ROUUACIJSA-N 2 1 302.462 2.759 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347037978 428419050 /nfs/dbraw/zinc/41/90/50/428419050.db2.gz HXYYARSOKIAIOY-IFXJQAMLSA-N 2 1 312.461 2.717 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347037978 428419056 /nfs/dbraw/zinc/41/90/56/428419056.db2.gz HXYYARSOKIAIOY-IFXJQAMLSA-N 2 1 312.461 2.717 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347043442 428420371 /nfs/dbraw/zinc/42/03/71/428420371.db2.gz MURPYQHQLYRFFD-LBPRGKRZSA-N 2 1 304.825 2.901 20 0 DFADMP CCC[NH+]1CCC(CNc2cc[nH+]cc2Br)CC1 ZINC000357186264 428423944 /nfs/dbraw/zinc/42/39/44/428423944.db2.gz GBNNYWKCNRUSOW-UHFFFAOYSA-N 2 1 312.255 2.800 20 0 DFADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414822188 428424614 /nfs/dbraw/zinc/42/46/14/428424614.db2.gz CJGUOXHTSNNLND-LBPRGKRZSA-N 2 1 314.376 2.776 20 0 DFADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000414831146 428427471 /nfs/dbraw/zinc/42/74/71/428427471.db2.gz PPELVLMRTMMMGY-SPMPPSESSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000414831146 428427477 /nfs/dbraw/zinc/42/74/77/428427477.db2.gz PPELVLMRTMMMGY-SPMPPSESSA-N 2 1 313.489 2.912 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC23CCCCC3)CC1 ZINC000372277928 428427834 /nfs/dbraw/zinc/42/78/34/428427834.db2.gz MSVJMXXDJPTXRV-UHFFFAOYSA-N 2 1 321.509 2.774 20 0 DFADMP CCOc1cccc(C[NH2+]C[C@H](C)C[NH2+]C)c1OC(F)F ZINC000414842507 428429369 /nfs/dbraw/zinc/42/93/69/428429369.db2.gz PADWCZDMMBJKLJ-LLVKDONJSA-N 2 1 302.365 2.632 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201799 428481198 /nfs/dbraw/zinc/48/11/98/428481198.db2.gz JOGUESHMPXDKFH-CVEARBPZSA-N 2 1 323.481 2.531 20 0 DFADMP CCC[N@@H+](C)CC(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000360891911 428481501 /nfs/dbraw/zinc/48/15/01/428481501.db2.gz SZBBCJOUQZEFME-UHFFFAOYSA-N 2 1 311.514 2.689 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)c2O1 ZINC000414994077 428481528 /nfs/dbraw/zinc/48/15/28/428481528.db2.gz CYWKSOQFKSQIFU-AWEZNQCLSA-N 2 1 310.388 2.735 20 0 DFADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414990569 428481711 /nfs/dbraw/zinc/48/17/11/428481711.db2.gz ABVYCUBPJYYFCU-IAAVTCLWSA-N 3 1 319.468 2.639 20 0 DFADMP C[C@H](CCc1ccc(F)cc1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414996740 428481920 /nfs/dbraw/zinc/48/19/20/428481920.db2.gz GUSMVTLYVIFUIY-OCCSQVGLSA-N 2 1 300.368 2.981 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353317941 428483021 /nfs/dbraw/zinc/48/30/21/428483021.db2.gz ZBNKTSFHCGUXAT-GOSISDBHSA-N 2 1 320.477 2.976 20 0 DFADMP C[NH2+][C@@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414991582 428483620 /nfs/dbraw/zinc/48/36/20/428483620.db2.gz SMPWUUZIIOEEJW-UWVGGRQHSA-N 2 1 303.219 2.717 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2ncc(C)s2)CC1 ZINC000357330565 428486702 /nfs/dbraw/zinc/48/67/02/428486702.db2.gz HGPJPVBNJUPUOT-UHFFFAOYSA-N 2 1 311.495 2.774 20 0 DFADMP C[N@@H+](Cc1ccc(Br)c2cccnc12)C1CC([NH3+])C1 ZINC000395065409 428493777 /nfs/dbraw/zinc/49/37/77/428493777.db2.gz WOKVYPDKLVLEAV-UHFFFAOYSA-N 2 1 320.234 2.919 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)c2)c1 ZINC000415037694 428496484 /nfs/dbraw/zinc/49/64/84/428496484.db2.gz HDBHADHTINBRJS-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415035186 428496730 /nfs/dbraw/zinc/49/67/30/428496730.db2.gz DNFCAGZXENJWKP-WOJBJXKFSA-N 2 1 324.472 2.895 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415035186 428496736 /nfs/dbraw/zinc/49/67/36/428496736.db2.gz DNFCAGZXENJWKP-WOJBJXKFSA-N 2 1 324.472 2.895 20 0 DFADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057244 428502477 /nfs/dbraw/zinc/50/24/77/428502477.db2.gz PKTLMSKFYZUZEX-LCLWPZTBSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057244 428502481 /nfs/dbraw/zinc/50/24/81/428502481.db2.gz PKTLMSKFYZUZEX-LCLWPZTBSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057244 428502488 /nfs/dbraw/zinc/50/24/88/428502488.db2.gz PKTLMSKFYZUZEX-LCLWPZTBSA-N 2 1 315.505 2.956 20 0 DFADMP COc1ccc(OC)c(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056148 428503041 /nfs/dbraw/zinc/50/30/41/428503041.db2.gz ROGQKYCLRYDQKH-RHSMWYFYSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056148 428503046 /nfs/dbraw/zinc/50/30/46/428503046.db2.gz ROGQKYCLRYDQKH-RHSMWYFYSA-N 2 1 304.434 2.668 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054758 428503334 /nfs/dbraw/zinc/50/33/34/428503334.db2.gz QJWIMTRMGWGEAK-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415056591 428504785 /nfs/dbraw/zinc/50/47/85/428504785.db2.gz SMQAYDRNMHFTMD-IAGOWNOFSA-N 2 1 302.466 2.502 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057249 428505135 /nfs/dbraw/zinc/50/51/35/428505135.db2.gz PKTLMSKFYZUZEX-PIKOESSRSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057249 428505141 /nfs/dbraw/zinc/50/51/41/428505141.db2.gz PKTLMSKFYZUZEX-PIKOESSRSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)[C@@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057249 428505149 /nfs/dbraw/zinc/50/51/49/428505149.db2.gz PKTLMSKFYZUZEX-PIKOESSRSA-N 2 1 315.505 2.956 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[NH2+]CCC[NH2+]C2CC2)c1 ZINC000415063733 428506340 /nfs/dbraw/zinc/50/63/40/428506340.db2.gz ARNRSVUAPBBYFR-UHFFFAOYSA-N 2 1 311.429 2.892 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061887 428506767 /nfs/dbraw/zinc/50/67/67/428506767.db2.gz YZTVZFMBDBXUGQ-FAEJEUNOSA-N 2 1 319.468 2.563 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415060866 428506940 /nfs/dbraw/zinc/50/69/40/428506940.db2.gz ZBWVRUBTIXRDEO-ROUUACIJSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063178 428507295 /nfs/dbraw/zinc/50/72/95/428507295.db2.gz GZGKOGIJJXDKCO-LRDDRELGSA-N 2 1 307.413 2.650 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000397349818 428508766 /nfs/dbraw/zinc/50/87/66/428508766.db2.gz HYYPDHZWVYYPMQ-MCIONIFRSA-N 2 1 323.868 2.974 20 0 DFADMP Clc1ccc(-n2cc(C[NH2+]CCC[NH2+]C3CC3)cn2)cc1 ZINC000415070170 428511267 /nfs/dbraw/zinc/51/12/67/428511267.db2.gz QADULPPPJSYRKA-UHFFFAOYSA-N 2 1 304.825 2.757 20 0 DFADMP C[C@]1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397981233 428514400 /nfs/dbraw/zinc/51/44/00/428514400.db2.gz GYORKLLJHDOBDB-GUDVDZBRSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCCN1Cc1ccccc1 ZINC000397981233 428514406 /nfs/dbraw/zinc/51/44/06/428514406.db2.gz GYORKLLJHDOBDB-GUDVDZBRSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398004329 428515934 /nfs/dbraw/zinc/51/59/34/428515934.db2.gz AJFYXBDPCZNKDT-OWYHZJEWSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000398004329 428515938 /nfs/dbraw/zinc/51/59/38/428515938.db2.gz AJFYXBDPCZNKDT-OWYHZJEWSA-N 2 1 301.478 2.757 20 0 DFADMP OC[C@@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415100724 428518537 /nfs/dbraw/zinc/51/85/37/428518537.db2.gz HBKOQTHTHOGBBI-VAMGGRTRSA-N 2 1 310.441 2.673 20 0 DFADMP CCN(CCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)CC(F)(F)F ZINC000347267314 428518935 /nfs/dbraw/zinc/51/89/35/428518935.db2.gz NYGMNNQSYSOLJY-HNNXBMFYSA-N 2 1 321.431 2.678 20 0 DFADMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000398026299 428519302 /nfs/dbraw/zinc/51/93/02/428519302.db2.gz MBFOMZVZAUHZIA-DKKFBQAASA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000398052117 428519336 /nfs/dbraw/zinc/51/93/36/428519336.db2.gz GHSNASDCFISWEH-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398052117 428519340 /nfs/dbraw/zinc/51/93/40/428519340.db2.gz GHSNASDCFISWEH-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398052117 428519344 /nfs/dbraw/zinc/51/93/44/428519344.db2.gz GHSNASDCFISWEH-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398052117 428519349 /nfs/dbraw/zinc/51/93/49/428519349.db2.gz GHSNASDCFISWEH-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398052117 428519352 /nfs/dbraw/zinc/51/93/52/428519352.db2.gz GHSNASDCFISWEH-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051038 428520277 /nfs/dbraw/zinc/52/02/77/428520277.db2.gz XTFAGKAYQHCSMZ-HJZRJOMTSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051038 428520285 /nfs/dbraw/zinc/52/02/85/428520285.db2.gz XTFAGKAYQHCSMZ-HJZRJOMTSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@H]1C[NH3+] ZINC000415101992 428521666 /nfs/dbraw/zinc/52/16/66/428521666.db2.gz CAGKETGVTBNGNC-ZBFHGGJFSA-N 2 1 304.482 2.885 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@H]1C[NH3+] ZINC000415101992 428521672 /nfs/dbraw/zinc/52/16/72/428521672.db2.gz CAGKETGVTBNGNC-ZBFHGGJFSA-N 2 1 304.482 2.885 20 0 DFADMP FC(F)(F)[C@H]1CC[N@@H+](C[C@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000415103744 428521968 /nfs/dbraw/zinc/52/19/68/428521968.db2.gz DABIVFMCGKMCII-KBPBESRZSA-N 2 1 320.399 2.667 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121969 428526230 /nfs/dbraw/zinc/52/62/30/428526230.db2.gz HWFPWWDPZPPKEU-TZMCWYRMSA-N 2 1 324.490 2.842 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121969 428526238 /nfs/dbraw/zinc/52/62/38/428526238.db2.gz HWFPWWDPZPPKEU-TZMCWYRMSA-N 2 1 324.490 2.842 20 0 DFADMP C[C@H](CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415130043 428532028 /nfs/dbraw/zinc/53/20/28/428532028.db2.gz PZRRTHVLLRWQQT-CRAIPNDOSA-N 2 1 313.449 2.568 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@H]1C[NH3+] ZINC000415120062 428527315 /nfs/dbraw/zinc/52/73/15/428527315.db2.gz FURWZPLYGQKXCQ-SUMDDJOVSA-N 2 1 318.461 2.661 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415118725 428527358 /nfs/dbraw/zinc/52/73/58/428527358.db2.gz DWUCYGUURZDCJQ-HOCLYGCPSA-N 2 1 306.450 2.901 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415125450 428528658 /nfs/dbraw/zinc/52/86/58/428528658.db2.gz LFNKHOOOGBBMTK-HIFRSBDPSA-N 2 1 322.449 2.519 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415125450 428528661 /nfs/dbraw/zinc/52/86/61/428528661.db2.gz LFNKHOOOGBBMTK-HIFRSBDPSA-N 2 1 322.449 2.519 20 0 DFADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC000415126129 428528830 /nfs/dbraw/zinc/52/88/30/428528830.db2.gz PHVKKGZFOFZSPJ-GUYCJALGSA-N 2 1 310.388 2.683 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C)c1 ZINC000415123141 428529468 /nfs/dbraw/zinc/52/94/68/428529468.db2.gz AAJHVHHKGQYTBA-MOPGFXCFSA-N 2 1 314.473 2.812 20 0 DFADMP C[C@H](CC1CCCCC1)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127441 428529508 /nfs/dbraw/zinc/52/95/08/428529508.db2.gz NBUDIAZJPDGXGF-QAPCUYQASA-N 2 1 319.497 2.980 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@@H]1CCC[NH2+]C1 ZINC000415123649 428529968 /nfs/dbraw/zinc/52/99/68/428529968.db2.gz PYXNMUBHQCEYQD-VQIMIIECSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000342847430 428471796 /nfs/dbraw/zinc/47/17/96/428471796.db2.gz BSEQTKXUKFOTRS-WFXMFSGNSA-N 2 1 317.477 2.658 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c1C ZINC000414956518 428472320 /nfs/dbraw/zinc/47/23/20/428472320.db2.gz PTBXGZRPMUSABN-YSVLISHTSA-N 2 1 303.450 2.751 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390623789 428473571 /nfs/dbraw/zinc/47/35/71/428473571.db2.gz CRXQRPNIGBONIC-PANBIXPWSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390623789 428473578 /nfs/dbraw/zinc/47/35/78/428473578.db2.gz CRXQRPNIGBONIC-PANBIXPWSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390623789 428473584 /nfs/dbraw/zinc/47/35/84/428473584.db2.gz CRXQRPNIGBONIC-PANBIXPWSA-N 3 1 313.489 2.770 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000390398800 428474856 /nfs/dbraw/zinc/47/48/56/428474856.db2.gz SMXRZFCFAUOUTQ-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000390398800 428474862 /nfs/dbraw/zinc/47/48/62/428474862.db2.gz SMXRZFCFAUOUTQ-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000414963143 428475991 /nfs/dbraw/zinc/47/59/91/428475991.db2.gz XLDGJWYHQBTWCG-ZMSDIMECSA-N 2 1 303.450 2.751 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCC[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414970092 428478705 /nfs/dbraw/zinc/47/87/05/428478705.db2.gz JWMSWZPSIDTPIC-IBGZPJMESA-N 3 1 315.505 2.815 20 0 DFADMP C[N@@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc[nH+]cc1Br ZINC000373462106 428582581 /nfs/dbraw/zinc/58/25/81/428582581.db2.gz QHHWMRMKTIBXLJ-ZIAGYGMSSA-N 2 1 310.239 2.907 20 0 DFADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1c1cc[nH+]cc1Br ZINC000373462106 428582583 /nfs/dbraw/zinc/58/25/83/428582583.db2.gz QHHWMRMKTIBXLJ-ZIAGYGMSSA-N 2 1 310.239 2.907 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](CC)CC ZINC000358123527 428584038 /nfs/dbraw/zinc/58/40/38/428584038.db2.gz MVWIQEPVDJLRFK-SOLBZPMBSA-N 2 1 323.525 2.876 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccsc1C ZINC000353545232 428588721 /nfs/dbraw/zinc/58/87/21/428588721.db2.gz CTABYDMMOKVVKL-UHFFFAOYSA-N 2 1 309.523 2.906 20 0 DFADMP CC1CCC(O)(C[N@@H+](C)CCCN(C)Cc2ccco2)CC1 ZINC000353552353 428589911 /nfs/dbraw/zinc/58/99/11/428589911.db2.gz XZHGRNIAAKLMBT-UHFFFAOYSA-N 2 1 308.466 2.975 20 0 DFADMP COC[C@H](Cc1ccccc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373496741 428590437 /nfs/dbraw/zinc/59/04/37/428590437.db2.gz QBIBAXTVFNQSBN-XBMUEBEBSA-N 2 1 302.462 2.851 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC(C)C ZINC000415134771 428534166 /nfs/dbraw/zinc/53/41/66/428534166.db2.gz WDGVBSLFAXYQRA-ZBFHGGJFSA-N 2 1 306.450 2.899 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1OC(C)C ZINC000415134771 428534170 /nfs/dbraw/zinc/53/41/70/428534170.db2.gz WDGVBSLFAXYQRA-ZBFHGGJFSA-N 2 1 306.450 2.899 20 0 DFADMP [NH3+]CC1(O)CC[NH+](Cc2cc(Cl)cc(C(F)(F)F)c2)CC1 ZINC000415135136 428534317 /nfs/dbraw/zinc/53/43/17/428534317.db2.gz AJCDINCMMANUNR-UHFFFAOYSA-N 2 1 322.758 2.644 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000415136601 428534843 /nfs/dbraw/zinc/53/48/43/428534843.db2.gz XKDUNGMIFHTSJA-CHWSQXEVSA-N 2 1 304.463 2.565 20 0 DFADMP Clc1sccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415138930 428535475 /nfs/dbraw/zinc/53/54/75/428535475.db2.gz KVQGIZKEYZEREN-OLZOCXBDSA-N 2 1 312.866 2.602 20 0 DFADMP FC(F)c1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415144961 428536900 /nfs/dbraw/zinc/53/69/00/428536900.db2.gz WDRYDBBWVDCYSU-CVEARBPZSA-N 2 1 322.399 2.825 20 0 DFADMP Fc1ccc(Cl)cc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415142749 428537969 /nfs/dbraw/zinc/53/79/69/428537969.db2.gz RSLGWAZNOJGUAF-ZBFHGGJFSA-N 2 1 324.827 2.680 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)CCn1c(C)nc2ccccc21 ZINC000353448300 428538665 /nfs/dbraw/zinc/53/86/65/428538665.db2.gz OSDPCPSEKMEBMS-UHFFFAOYSA-N 2 1 316.449 2.583 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353451522 428541764 /nfs/dbraw/zinc/54/17/64/428541764.db2.gz AEHZIOKUICFJSP-OTWHNJEPSA-N 2 1 318.461 2.674 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400478994 428545762 /nfs/dbraw/zinc/54/57/62/428545762.db2.gz VSEHOTSKVPOMNP-JFRXWTBNSA-N 2 1 301.478 2.770 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)[C@@H]2CCC[C@H]21 ZINC000353465205 428548326 /nfs/dbraw/zinc/54/83/26/428548326.db2.gz WGIIQFBYQYPRRG-OKZBNKHCSA-N 2 1 314.477 2.513 20 0 DFADMP C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400757435 428548586 /nfs/dbraw/zinc/54/85/86/428548586.db2.gz XIIYKCRLCURUST-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400757435 428548589 /nfs/dbraw/zinc/54/85/89/428548589.db2.gz XIIYKCRLCURUST-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353465203 428549497 /nfs/dbraw/zinc/54/94/97/428549497.db2.gz WGIIQFBYQYPRRG-BZSNNMDCSA-N 2 1 314.477 2.513 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353465350 428550703 /nfs/dbraw/zinc/55/07/03/428550703.db2.gz SRQAWCXYPUCVRJ-ZWJWXYIHSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353465350 428550710 /nfs/dbraw/zinc/55/07/10/428550710.db2.gz SRQAWCXYPUCVRJ-ZWJWXYIHSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353465350 428550714 /nfs/dbraw/zinc/55/07/14/428550714.db2.gz SRQAWCXYPUCVRJ-ZWJWXYIHSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353465350 428550723 /nfs/dbraw/zinc/55/07/23/428550723.db2.gz SRQAWCXYPUCVRJ-ZWJWXYIHSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353465350 428550725 /nfs/dbraw/zinc/55/07/25/428550725.db2.gz SRQAWCXYPUCVRJ-ZWJWXYIHSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353465350 428550731 /nfs/dbraw/zinc/55/07/31/428550731.db2.gz SRQAWCXYPUCVRJ-ZWJWXYIHSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353465350 428550735 /nfs/dbraw/zinc/55/07/35/428550735.db2.gz SRQAWCXYPUCVRJ-ZWJWXYIHSA-N 3 1 307.526 2.817 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347344769 428557099 /nfs/dbraw/zinc/55/70/99/428557099.db2.gz SFCXXGCSHIVOKJ-HOTGVXAUSA-N 2 1 317.458 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)[C@H]1C=C[C@H](CO)C1 ZINC000347344769 428557104 /nfs/dbraw/zinc/55/71/04/428557104.db2.gz SFCXXGCSHIVOKJ-HOTGVXAUSA-N 2 1 317.458 2.692 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000401838021 428557969 /nfs/dbraw/zinc/55/79/69/428557969.db2.gz PLYMDEHWKHAHQP-OWZPZPLSSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000401838025 428558876 /nfs/dbraw/zinc/55/88/76/428558876.db2.gz PLYMDEHWKHAHQP-WFDLBOFBSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000401838022 428559477 /nfs/dbraw/zinc/55/94/77/428559477.db2.gz PLYMDEHWKHAHQP-SBXRHNTMSA-N 2 1 300.446 2.949 20 0 DFADMP CC(C)CC[C@H](O)C[N@@H+](C)C[C@@H]1CCN(C)[C@@H]1c1cccnc1 ZINC000361335426 428560346 /nfs/dbraw/zinc/56/03/46/428560346.db2.gz KGASDOPDJSEWSJ-GBESFXJTSA-N 2 1 319.493 2.803 20 0 DFADMP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000402798248 428561019 /nfs/dbraw/zinc/56/10/19/428561019.db2.gz ODHRTCSSYCHMLD-JXFKEZNVSA-N 2 1 324.472 2.828 20 0 DFADMP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404262214 428566388 /nfs/dbraw/zinc/56/63/88/428566388.db2.gz DWURSHHAHWKBBP-PBHICJAKSA-N 2 1 303.450 2.637 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404262214 428566395 /nfs/dbraw/zinc/56/63/95/428566395.db2.gz DWURSHHAHWKBBP-PBHICJAKSA-N 2 1 303.450 2.637 20 0 DFADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404333153 428567398 /nfs/dbraw/zinc/56/73/98/428567398.db2.gz ZVVSJEOGYMZEEX-RYRKJORJSA-N 2 1 317.477 2.655 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)c1 ZINC000404362866 428570195 /nfs/dbraw/zinc/57/01/95/428570195.db2.gz GCWNERYALIWKOQ-PBHICJAKSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)c1 ZINC000404362866 428570196 /nfs/dbraw/zinc/57/01/96/428570196.db2.gz GCWNERYALIWKOQ-PBHICJAKSA-N 2 1 303.450 2.691 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000358018495 428576048 /nfs/dbraw/zinc/57/60/48/428576048.db2.gz AWJMHFUEKGCHGY-BRWVUGGUSA-N 2 1 302.466 2.538 20 0 DFADMP CCO[C@@H]1C[N@@H+](CCOc2ccc3ccccc3c2)C[C@H]1C[NH3+] ZINC000405321327 428578108 /nfs/dbraw/zinc/57/81/08/428578108.db2.gz ZJTDTLLQVIPURB-IEBWSBKVSA-N 2 1 314.429 2.514 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353525927 428579270 /nfs/dbraw/zinc/57/92/70/428579270.db2.gz OSZFXPFTWMAZGX-SOLBZPMBSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347531640 428599136 /nfs/dbraw/zinc/59/91/36/428599136.db2.gz OIFPOPJSFGQHIX-OAHLLOKOSA-N 2 1 315.461 2.532 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000353594338 428612268 /nfs/dbraw/zinc/61/22/68/428612268.db2.gz MTYKZCAOMWXFDS-LJQANCHMSA-N 2 1 310.445 2.615 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH+]1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000353594338 428612273 /nfs/dbraw/zinc/61/22/73/428612273.db2.gz MTYKZCAOMWXFDS-LJQANCHMSA-N 2 1 310.445 2.615 20 0 DFADMP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c(C(C)(C)C)n1 ZINC000362040018 428613906 /nfs/dbraw/zinc/61/39/06/428613906.db2.gz ORMROITWWWZYME-HYVNUMGLSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c(C(C)(C)C)n1 ZINC000362040018 428613912 /nfs/dbraw/zinc/61/39/12/428613912.db2.gz ORMROITWWWZYME-HYVNUMGLSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c(C(C)(C)C)n1 ZINC000362040018 428613922 /nfs/dbraw/zinc/61/39/22/428613922.db2.gz ORMROITWWWZYME-HYVNUMGLSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c(C(C)(C)C)n1 ZINC000362040018 428613927 /nfs/dbraw/zinc/61/39/27/428613927.db2.gz ORMROITWWWZYME-HYVNUMGLSA-N 2 1 316.493 2.634 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000373614393 428621266 /nfs/dbraw/zinc/62/12/66/428621266.db2.gz BMEPIFNTLKDNIE-APWZRJJASA-N 2 1 311.429 2.873 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)n1 ZINC000373614393 428621268 /nfs/dbraw/zinc/62/12/68/428621268.db2.gz BMEPIFNTLKDNIE-APWZRJJASA-N 2 1 311.429 2.873 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H]2CCC[C@@H]21 ZINC000353622606 428625310 /nfs/dbraw/zinc/62/53/10/428625310.db2.gz OLUSSWDDFOWAGK-LNLFQRSKSA-N 2 1 310.445 2.835 20 0 DFADMP Cn1ccc(C[NH2+]C2CCC([N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000353619741 428625356 /nfs/dbraw/zinc/62/53/56/428625356.db2.gz ILTJGSYCIDVFNQ-UHFFFAOYSA-N 2 1 312.461 2.953 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H]2CCC[C@H]21 ZINC000353622607 428626328 /nfs/dbraw/zinc/62/63/28/428626328.db2.gz OLUSSWDDFOWAGK-ZIFCJYIRSA-N 2 1 310.445 2.835 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000344299209 428627760 /nfs/dbraw/zinc/62/77/60/428627760.db2.gz OEFRLLSVPOOYNV-SJLPKXTDSA-N 2 1 320.481 2.756 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000415926756 428628239 /nfs/dbraw/zinc/62/82/39/428628239.db2.gz BZYYJJLETCJJKC-ALOPSCKCSA-N 2 1 316.449 2.543 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000415937620 428631952 /nfs/dbraw/zinc/63/19/52/428631952.db2.gz YKWSGOHVBMCWSA-INIZCTEOSA-N 2 1 318.465 2.744 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000415962788 428636874 /nfs/dbraw/zinc/63/68/74/428636874.db2.gz QFSVLLPTOWSYOJ-UHFFFAOYSA-N 2 1 318.465 2.650 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415978753 428639483 /nfs/dbraw/zinc/63/94/83/428639483.db2.gz CKVHGISUBHMLKC-CQSZACIVSA-N 2 1 306.454 2.648 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000415973912 428639915 /nfs/dbraw/zinc/63/99/15/428639915.db2.gz PREOOYDJMYJOES-CABCVRRESA-N 2 1 318.465 2.790 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000415973918 428640133 /nfs/dbraw/zinc/64/01/33/428640133.db2.gz PREOOYDJMYJOES-LSDHHAIUSA-N 2 1 318.465 2.790 20 0 DFADMP COCC[C@@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000353654002 428640648 /nfs/dbraw/zinc/64/06/48/428640648.db2.gz ZGBBHWCFKNMIQZ-PBHICJAKSA-N 2 1 317.433 2.883 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358725068 428643880 /nfs/dbraw/zinc/64/38/80/428643880.db2.gz OGGCLMVYSCFMNR-SZMVWBNQSA-N 2 1 322.518 2.743 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358725068 428643886 /nfs/dbraw/zinc/64/38/86/428643886.db2.gz OGGCLMVYSCFMNR-SZMVWBNQSA-N 2 1 322.518 2.743 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000262046179 274110826 /nfs/dbraw/zinc/11/08/26/274110826.db2.gz ZDWWCYHEFZPPJU-NUEKZKHPSA-N 2 1 324.852 2.595 20 0 DFADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000358728962 428644471 /nfs/dbraw/zinc/64/44/71/428644471.db2.gz XCFGNCRLUZHTLL-HKUYNNGSSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000358728962 428644476 /nfs/dbraw/zinc/64/44/76/428644476.db2.gz XCFGNCRLUZHTLL-HKUYNNGSSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278579784 274135785 /nfs/dbraw/zinc/13/57/85/274135785.db2.gz PZFBSIINQYHCJC-HNAYVOBHSA-N 2 1 318.461 2.773 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278579784 274135786 /nfs/dbraw/zinc/13/57/86/274135786.db2.gz PZFBSIINQYHCJC-HNAYVOBHSA-N 2 1 318.461 2.773 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000353666186 428646094 /nfs/dbraw/zinc/64/60/94/428646094.db2.gz YNCTXAZUQUNDPX-KMFMINBZSA-N 2 1 323.506 2.765 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416015629 428648992 /nfs/dbraw/zinc/64/89/92/428648992.db2.gz UBLSUSCXLOANPV-CYBMUJFWSA-N 2 1 304.438 2.532 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348191063 428649325 /nfs/dbraw/zinc/64/93/25/428649325.db2.gz FLPRWZIQFOLXCC-MLJSMGRESA-N 2 1 302.462 2.814 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000362198345 428658046 /nfs/dbraw/zinc/65/80/46/428658046.db2.gz FNWJZDXTECFRFP-MRXNPFEDSA-N 2 1 319.493 2.984 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184361 428652914 /nfs/dbraw/zinc/65/29/14/428652914.db2.gz IGTGUKRAZQTNOG-CRAIPNDOSA-N 2 1 302.462 2.969 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184361 428652919 /nfs/dbraw/zinc/65/29/19/428652919.db2.gz IGTGUKRAZQTNOG-CRAIPNDOSA-N 2 1 302.462 2.969 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184361 428652924 /nfs/dbraw/zinc/65/29/24/428652924.db2.gz IGTGUKRAZQTNOG-CRAIPNDOSA-N 2 1 302.462 2.969 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1)CC(C)C ZINC000358746166 428653725 /nfs/dbraw/zinc/65/37/25/428653725.db2.gz QHDDQYCURAEMNW-INIZCTEOSA-N 2 1 323.525 2.734 20 0 DFADMP C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155069 428666087 /nfs/dbraw/zinc/66/60/87/428666087.db2.gz AASQGWCNUYWOPP-QRVBRYPASA-N 2 1 306.494 2.999 20 0 DFADMP C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155069 428666093 /nfs/dbraw/zinc/66/60/93/428666093.db2.gz AASQGWCNUYWOPP-QRVBRYPASA-N 2 1 306.494 2.999 20 0 DFADMP C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155069 428666101 /nfs/dbraw/zinc/66/61/01/428666101.db2.gz AASQGWCNUYWOPP-QRVBRYPASA-N 2 1 306.494 2.999 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@H](CCO)C1 ZINC000353689496 428660398 /nfs/dbraw/zinc/66/03/98/428660398.db2.gz PYRNUYVNCIEYNN-SFHVURJKSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000353689496 428660399 /nfs/dbraw/zinc/66/03/99/428660399.db2.gz PYRNUYVNCIEYNN-SFHVURJKSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@H](CCO)C1 ZINC000353689496 428660406 /nfs/dbraw/zinc/66/04/06/428660406.db2.gz PYRNUYVNCIEYNN-SFHVURJKSA-N 2 1 304.478 2.849 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000319321629 274335852 /nfs/dbraw/zinc/33/58/52/274335852.db2.gz ZSLQIGGOGJAIGZ-IUODEOHRSA-N 2 1 324.852 2.931 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000319321629 274335853 /nfs/dbraw/zinc/33/58/53/274335853.db2.gz ZSLQIGGOGJAIGZ-IUODEOHRSA-N 2 1 324.852 2.931 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505868 428670106 /nfs/dbraw/zinc/67/01/06/428670106.db2.gz BCNSVOJCOCVNPZ-MHORFTMASA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374255027 428670353 /nfs/dbraw/zinc/67/03/53/428670353.db2.gz OSQLGHAVMWNCBF-MJGOQNOKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358295496 274355035 /nfs/dbraw/zinc/35/50/35/274355035.db2.gz KBSKGSDHLIBYCV-ATZDWAIDSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358295496 274355038 /nfs/dbraw/zinc/35/50/38/274355038.db2.gz KBSKGSDHLIBYCV-ATZDWAIDSA-N 2 1 324.472 2.767 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252239 428674306 /nfs/dbraw/zinc/67/43/06/428674306.db2.gz WIAPZLNKQFAEHL-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252239 428674314 /nfs/dbraw/zinc/67/43/14/428674314.db2.gz WIAPZLNKQFAEHL-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000362252239 428674319 /nfs/dbraw/zinc/67/43/19/428674319.db2.gz WIAPZLNKQFAEHL-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374553292 428696990 /nfs/dbraw/zinc/69/69/90/428696990.db2.gz YAHFWTDWCVLWEV-LJQANCHMSA-N 2 1 304.478 2.744 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374553292 428696996 /nfs/dbraw/zinc/69/69/96/428696996.db2.gz YAHFWTDWCVLWEV-LJQANCHMSA-N 2 1 304.478 2.744 20 0 DFADMP Cc1cccc(C)c1NC(=O)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000362316514 428700575 /nfs/dbraw/zinc/70/05/75/428700575.db2.gz DXQKUMAALSWQMX-DLBZAZTESA-N 2 1 315.461 2.658 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000344767266 428703383 /nfs/dbraw/zinc/70/33/83/428703383.db2.gz HTVMJCMOLZSVIN-QZTJIDSGSA-N 2 1 317.477 2.776 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353764409 428704179 /nfs/dbraw/zinc/70/41/79/428704179.db2.gz XYBRFDRVFUMHQM-MSOLQXFVSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)nc(C)[nH+]1 ZINC000374618006 428715345 /nfs/dbraw/zinc/71/53/45/428715345.db2.gz KBLMICQQFMZPTI-UAGQMJEPSA-N 2 1 300.450 2.840 20 0 DFADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362364790 428719008 /nfs/dbraw/zinc/71/90/08/428719008.db2.gz VHFYZVINPFZOCP-QAPCUYQASA-N 2 1 321.509 2.630 20 0 DFADMP CSC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CC1 ZINC000348254166 428679264 /nfs/dbraw/zinc/67/92/64/428679264.db2.gz NPVODHUMMSPZPG-QGZVFWFLSA-N 2 1 320.502 2.629 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416163548 428680817 /nfs/dbraw/zinc/68/08/17/428680817.db2.gz YFPXUXRXKQLWHU-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348259505 428682145 /nfs/dbraw/zinc/68/21/45/428682145.db2.gz FZHHKROELYQDMV-YTQUADARSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)C[N@@H+](C)[C@@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348272164 428686879 /nfs/dbraw/zinc/68/68/79/428686879.db2.gz QDOJGJSWHMOWON-ZDUSSCGKSA-N 2 1 300.406 2.992 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000353749789 428691124 /nfs/dbraw/zinc/69/11/24/428691124.db2.gz MLQRGCZECRRLGM-WMLDXEAASA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000353749789 428691134 /nfs/dbraw/zinc/69/11/34/428691134.db2.gz MLQRGCZECRRLGM-WMLDXEAASA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000353749789 428691139 /nfs/dbraw/zinc/69/11/39/428691139.db2.gz MLQRGCZECRRLGM-WMLDXEAASA-N 2 1 304.434 2.778 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@H+]1C ZINC000344685273 428694089 /nfs/dbraw/zinc/69/40/89/428694089.db2.gz QGGCLRZYEBOFNK-DGCLKSJQSA-N 2 1 320.387 2.927 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416233978 428694808 /nfs/dbraw/zinc/69/48/08/428694808.db2.gz LJFYASYQIVXQMW-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000344691185 428694892 /nfs/dbraw/zinc/69/48/92/428694892.db2.gz XKSNCSYBCOBDDM-CJNGLKHVSA-N 2 1 314.433 2.658 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411177547 428754332 /nfs/dbraw/zinc/75/43/32/428754332.db2.gz HOVWZUCBKMEBCD-GOSISDBHSA-N 2 1 316.445 2.667 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000348487348 428756140 /nfs/dbraw/zinc/75/61/40/428756140.db2.gz BDFIXSJULXLOTN-NUTKFTJISA-N 2 1 303.381 2.646 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[N@H+]2C[C@@H](F)C[C@H]2CO)cc1 ZINC000348487348 428756142 /nfs/dbraw/zinc/75/61/42/428756142.db2.gz BDFIXSJULXLOTN-NUTKFTJISA-N 2 1 303.381 2.646 20 0 DFADMP CCCNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000411227590 428762039 /nfs/dbraw/zinc/76/20/39/428762039.db2.gz VGMRUDDIBKXKSP-SFHVURJKSA-N 2 1 323.525 2.737 20 0 DFADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCCC(F)(F)F)C2)CC1 ZINC000374879424 428773457 /nfs/dbraw/zinc/77/34/57/428773457.db2.gz TWJLNZUEUTZHKH-OAHLLOKOSA-N 2 1 321.431 2.821 20 0 DFADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCCC(F)(F)F)C2)CC1 ZINC000374879424 428773461 /nfs/dbraw/zinc/77/34/61/428773461.db2.gz TWJLNZUEUTZHKH-OAHLLOKOSA-N 2 1 321.431 2.821 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374889816 428777894 /nfs/dbraw/zinc/77/78/94/428777894.db2.gz CVTWOGCOWPPYDC-OKZBNKHCSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374889816 428777899 /nfs/dbraw/zinc/77/78/99/428777899.db2.gz CVTWOGCOWPPYDC-OKZBNKHCSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1nc(CO[C@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cs1 ZINC000374933079 428788756 /nfs/dbraw/zinc/78/87/56/428788756.db2.gz URBAJZCMBOESJF-IRXDYDNUSA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cs1 ZINC000374933079 428788758 /nfs/dbraw/zinc/78/87/58/428788758.db2.gz URBAJZCMBOESJF-IRXDYDNUSA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC000374933079 428788762 /nfs/dbraw/zinc/78/87/62/428788762.db2.gz URBAJZCMBOESJF-IRXDYDNUSA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC000374933079 428788769 /nfs/dbraw/zinc/78/87/69/428788769.db2.gz URBAJZCMBOESJF-IRXDYDNUSA-N 2 1 323.506 2.917 20 0 DFADMP COc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1OC(C)C ZINC000345189344 428793569 /nfs/dbraw/zinc/79/35/69/428793569.db2.gz RNPNNLKCAUBXDF-UHFFFAOYSA-N 2 1 304.434 2.834 20 0 DFADMP C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411117653 428742664 /nfs/dbraw/zinc/74/26/64/428742664.db2.gz LXCNHDSDEFIUQB-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000411117653 428742671 /nfs/dbraw/zinc/74/26/71/428742671.db2.gz LXCNHDSDEFIUQB-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000411117653 428742677 /nfs/dbraw/zinc/74/26/77/428742677.db2.gz LXCNHDSDEFIUQB-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP OC[C@H]1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411150286 428749266 /nfs/dbraw/zinc/74/92/66/428749266.db2.gz VVYZTCCAYUJRMJ-IBGZPJMESA-N 2 1 302.462 2.877 20 0 DFADMP CC(C)C[N@@H+](CC(N)=O)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411163383 428751056 /nfs/dbraw/zinc/75/10/56/428751056.db2.gz ITLWJHHGEPFBHZ-UHFFFAOYSA-N 2 1 317.477 2.616 20 0 DFADMP OC1(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721216 428846429 /nfs/dbraw/zinc/84/64/29/428846429.db2.gz RRDLLKHYHWAHBK-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP OC1(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721216 428846434 /nfs/dbraw/zinc/84/64/34/428846434.db2.gz RRDLLKHYHWAHBK-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP OC1(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721216 428846440 /nfs/dbraw/zinc/84/64/40/428846440.db2.gz RRDLLKHYHWAHBK-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1)C1CC1 ZINC000353962775 428795517 /nfs/dbraw/zinc/79/55/17/428795517.db2.gz UYFXMPSMFCKGAL-HNNXBMFYSA-N 2 1 317.477 2.741 20 0 DFADMP OC[C@H]1CSCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411427969 428797221 /nfs/dbraw/zinc/79/72/21/428797221.db2.gz PIFXWRGIBNYZJV-SFHVURJKSA-N 2 1 320.502 2.582 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)C ZINC000348639498 428804320 /nfs/dbraw/zinc/80/43/20/428804320.db2.gz YTRJXFXOELEDPK-MRXNPFEDSA-N 2 1 311.514 2.687 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000375114474 428805081 /nfs/dbraw/zinc/80/50/81/428805081.db2.gz MIWMFRDSXMJMSC-QGZVFWFLSA-N 2 1 313.401 2.812 20 0 DFADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000411497709 428806272 /nfs/dbraw/zinc/80/62/72/428806272.db2.gz ABBQPJKQLJGTBS-SLFFLAALSA-N 2 1 314.473 2.875 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514734 428808830 /nfs/dbraw/zinc/80/88/30/428808830.db2.gz GPWFGIJFVMRWHU-IKGGRYGDSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514734 428808837 /nfs/dbraw/zinc/80/88/37/428808837.db2.gz GPWFGIJFVMRWHU-IKGGRYGDSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362894791 428811234 /nfs/dbraw/zinc/81/12/34/428811234.db2.gz RBFFZPXRRIRXBG-MRXNPFEDSA-N 2 1 317.477 2.552 20 0 DFADMP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515682 428811938 /nfs/dbraw/zinc/81/19/38/428811938.db2.gz IGFCAYXGLBPHAQ-LSDHHAIUSA-N 2 1 310.482 2.961 20 0 DFADMP Cc1nnc([C@H](C)N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)[nH]1 ZINC000411554715 428816366 /nfs/dbraw/zinc/81/63/66/428816366.db2.gz UKHZEEGTHRBDEO-GRDNDAEWSA-N 2 1 313.449 2.674 20 0 DFADMP O[C@@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000345259365 428818325 /nfs/dbraw/zinc/81/83/25/428818325.db2.gz SXMZPGOSPFRUNI-DZJYIKFMSA-N 2 1 314.473 2.933 20 0 DFADMP O[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC12CC2 ZINC000411573622 428819208 /nfs/dbraw/zinc/81/92/08/428819208.db2.gz SLDQIXUQCYFYQW-SFHVURJKSA-N 2 1 300.446 2.629 20 0 DFADMP CC[C@@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599730 428822392 /nfs/dbraw/zinc/82/23/92/428822392.db2.gz COJQVPOITCRGDG-SJLPKXTDSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1CO ZINC000411618271 428824384 /nfs/dbraw/zinc/82/43/84/428824384.db2.gz IITXHFYPLYFGHV-APWZRJJASA-N 2 1 302.462 2.733 20 0 DFADMP OC[C@H]1C[C@H](F)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411607218 428825153 /nfs/dbraw/zinc/82/51/53/428825153.db2.gz JOVJXEJDZBADRT-ZWKOTPCHSA-N 2 1 306.425 2.577 20 0 DFADMP OC[C@H]1C[C@H](F)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411607218 428825157 /nfs/dbraw/zinc/82/51/57/428825157.db2.gz JOVJXEJDZBADRT-ZWKOTPCHSA-N 2 1 306.425 2.577 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117266 428825275 /nfs/dbraw/zinc/82/52/75/428825275.db2.gz SFRMQAJNIVDHAN-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117266 428825283 /nfs/dbraw/zinc/82/52/83/428825283.db2.gz SFRMQAJNIVDHAN-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000359117266 428825289 /nfs/dbraw/zinc/82/52/89/428825289.db2.gz SFRMQAJNIVDHAN-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@H](CO)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655144 428834846 /nfs/dbraw/zinc/83/48/46/428834846.db2.gz IRJNUZVFKSSLAE-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP C[C@H](CC[NH+](C)[C@@H](C)C(C)(C)O)CC[N@@H+](C)[C@H](C)C(C)(C)O ZINC000411799915 428861672 /nfs/dbraw/zinc/86/16/72/428861672.db2.gz VQMLEKHMFLOXFY-MUJYYYPQSA-N 2 1 316.530 2.585 20 0 DFADMP C[C@@H]([NH+](C)CC[C@H](C)CC[N@H+](C)[C@@H](C)C(C)(C)O)C(C)(C)O ZINC000411799915 428861676 /nfs/dbraw/zinc/86/16/76/428861676.db2.gz VQMLEKHMFLOXFY-MUJYYYPQSA-N 2 1 316.530 2.585 20 0 DFADMP C[C@@H]([NH+](C)CC[C@H](C)CC[N@@H+](C)[C@@H](C)C(C)(C)O)C(C)(C)O ZINC000411799915 428861681 /nfs/dbraw/zinc/86/16/81/428861681.db2.gz VQMLEKHMFLOXFY-MUJYYYPQSA-N 2 1 316.530 2.585 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)cc2)C1 ZINC000354105437 428865906 /nfs/dbraw/zinc/86/59/06/428865906.db2.gz AXACNAHBFQLUQG-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359213799 428866755 /nfs/dbraw/zinc/86/67/55/428866755.db2.gz GOAMZRTYXVIZQN-KRWDZBQOSA-N 2 1 315.461 2.727 20 0 DFADMP CCn1ccnc1CN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000363134669 428867090 /nfs/dbraw/zinc/86/70/90/428867090.db2.gz KAIDXCUILODUQE-QGZVFWFLSA-N 2 1 312.461 2.999 20 0 DFADMP OCCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000359219950 428872506 /nfs/dbraw/zinc/87/25/06/428872506.db2.gz NBNGXRSABOBIMN-LJQANCHMSA-N 2 1 302.462 2.748 20 0 DFADMP C[C@@H]1C[C@H](O)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877063 428876364 /nfs/dbraw/zinc/87/63/64/428876364.db2.gz QFSAQXXRKDBYHR-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP CCC[C@@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348973666 428890766 /nfs/dbraw/zinc/89/07/66/428890766.db2.gz IJHYRTRJGSWERY-OALUTQOASA-N 2 1 301.478 2.550 20 0 DFADMP CC(C)c1cc(N2CCC[N@H+]([C@H](C)CO)CC2)nc(C(C)C)n1 ZINC000375512536 428902733 /nfs/dbraw/zinc/90/27/33/428902733.db2.gz SAVYGHNBLWUQEW-OAHLLOKOSA-N 2 1 320.481 2.616 20 0 DFADMP CCC[N@H+]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000363315396 428903972 /nfs/dbraw/zinc/90/39/72/428903972.db2.gz UYRPOQAQQYIXGS-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363315396 428903980 /nfs/dbraw/zinc/90/39/80/428903980.db2.gz UYRPOQAQQYIXGS-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP CCC[NH+]1CCCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363315396 428903987 /nfs/dbraw/zinc/90/39/87/428903987.db2.gz UYRPOQAQQYIXGS-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000354182968 428904476 /nfs/dbraw/zinc/90/44/76/428904476.db2.gz VJZJBQUHMWNLMO-SUMCQTLJSA-N 2 1 324.509 2.920 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000354182968 428904484 /nfs/dbraw/zinc/90/44/84/428904484.db2.gz VJZJBQUHMWNLMO-SUMCQTLJSA-N 2 1 324.509 2.920 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CCOCC1 ZINC000375592934 428917646 /nfs/dbraw/zinc/91/76/46/428917646.db2.gz VLZCVVNFLJANSF-FUHWJXTLSA-N 2 1 317.477 2.808 20 0 DFADMP CC(C)CCOCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453159 428920386 /nfs/dbraw/zinc/92/03/86/428920386.db2.gz RWLSJNLBCUKGTK-UHFFFAOYSA-N 2 1 312.498 2.624 20 0 DFADMP Cc1cc(C)n([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000363458701 428920541 /nfs/dbraw/zinc/92/05/41/428920541.db2.gz AECQGPNUMJHFGW-KRWDZBQOSA-N 2 1 301.438 2.732 20 0 DFADMP Cc1cc(C)n([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000363458701 428920544 /nfs/dbraw/zinc/92/05/44/428920544.db2.gz AECQGPNUMJHFGW-KRWDZBQOSA-N 2 1 301.438 2.732 20 0 DFADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000349125672 428923575 /nfs/dbraw/zinc/92/35/75/428923575.db2.gz FNPLWFKJHGJIQH-QGZVFWFLSA-N 2 1 312.461 2.806 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222010 428924240 /nfs/dbraw/zinc/92/42/40/428924240.db2.gz IGHKKKFCAOQOOX-YOEHRIQHSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222010 428924245 /nfs/dbraw/zinc/92/42/45/428924245.db2.gz IGHKKKFCAOQOOX-YOEHRIQHSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222010 428924250 /nfs/dbraw/zinc/92/42/50/428924250.db2.gz IGHKKKFCAOQOOX-YOEHRIQHSA-N 2 1 321.440 2.959 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000359332255 428925605 /nfs/dbraw/zinc/92/56/05/428925605.db2.gz REDHRYVQIQTCDT-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2)C[C@H]1C ZINC000354226511 428926551 /nfs/dbraw/zinc/92/65/51/428926551.db2.gz WMRKMAUXOMWADO-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC)cc2)C[C@H]1C ZINC000354226511 428926557 /nfs/dbraw/zinc/92/65/57/428926557.db2.gz WMRKMAUXOMWADO-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCc2nc3ccccc3n2C)CC1 ZINC000354245054 428936452 /nfs/dbraw/zinc/93/64/52/428936452.db2.gz RSRQBVQOLXAGPQ-UHFFFAOYSA-N 2 1 300.450 2.532 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCc2nc3ccccc3n2C)CC1 ZINC000354245054 428936459 /nfs/dbraw/zinc/93/64/59/428936459.db2.gz RSRQBVQOLXAGPQ-UHFFFAOYSA-N 2 1 300.450 2.532 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354251049 428938563 /nfs/dbraw/zinc/93/85/63/428938563.db2.gz BTYHMKOHNSWNEA-IRXDYDNUSA-N 2 1 309.498 2.534 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCO[C@@H](C)C3)CCCC2)CC1 ZINC000359395826 428954521 /nfs/dbraw/zinc/95/45/21/428954521.db2.gz VRKQDQHTHCFSLT-JKSUJKDBSA-N 2 1 310.482 2.567 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2nccs2)CC1 ZINC000363617081 428956073 /nfs/dbraw/zinc/95/60/73/428956073.db2.gz KXPNPMDJRHIADG-HNNXBMFYSA-N 2 1 308.495 2.530 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2nccs2)CC1 ZINC000363617081 428956077 /nfs/dbraw/zinc/95/60/77/428956077.db2.gz KXPNPMDJRHIADG-HNNXBMFYSA-N 2 1 308.495 2.530 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000363617081 428956083 /nfs/dbraw/zinc/95/60/83/428956083.db2.gz KXPNPMDJRHIADG-HNNXBMFYSA-N 2 1 308.495 2.530 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(c2nccs2)CC1 ZINC000363617081 428956086 /nfs/dbraw/zinc/95/60/86/428956086.db2.gz KXPNPMDJRHIADG-HNNXBMFYSA-N 2 1 308.495 2.530 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000420316548 428957099 /nfs/dbraw/zinc/95/70/99/428957099.db2.gz SYCISZUXXMQRMP-AWEZNQCLSA-N 2 1 316.474 3.448 20 0 DFADMP CCc1cccc(Cl)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349303069 428959485 /nfs/dbraw/zinc/95/94/85/428959485.db2.gz YUGFFAQDJSBNAV-UHFFFAOYSA-N 2 1 323.912 2.972 20 0 DFADMP CCN(CCCNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000354312891 428963366 /nfs/dbraw/zinc/96/33/66/428963366.db2.gz VFHDXQBHMJOIDB-SFHVURJKSA-N 2 1 317.477 2.894 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000354333342 428972364 /nfs/dbraw/zinc/97/23/64/428972364.db2.gz UETRBJZXVZQTNJ-IKGGRYGDSA-N 2 1 309.498 2.627 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767884 428965918 /nfs/dbraw/zinc/96/59/18/428965918.db2.gz KGFDCCRHBYXEJK-SJORKVTESA-N 2 1 323.481 2.558 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767884 428965921 /nfs/dbraw/zinc/96/59/21/428965921.db2.gz KGFDCCRHBYXEJK-SJORKVTESA-N 2 1 323.481 2.558 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767884 428965925 /nfs/dbraw/zinc/96/59/25/428965925.db2.gz KGFDCCRHBYXEJK-SJORKVTESA-N 2 1 323.481 2.558 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767884 428965928 /nfs/dbraw/zinc/96/59/28/428965928.db2.gz KGFDCCRHBYXEJK-SJORKVTESA-N 2 1 323.481 2.558 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767884 428965929 /nfs/dbraw/zinc/96/59/29/428965929.db2.gz KGFDCCRHBYXEJK-SJORKVTESA-N 2 1 323.481 2.558 20 0 DFADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1(C)C ZINC000363685458 428969998 /nfs/dbraw/zinc/96/99/98/428969998.db2.gz IIAFAXVNVVCKHE-BZUAXINKSA-N 2 1 305.466 2.875 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1F ZINC000363685722 428970332 /nfs/dbraw/zinc/97/03/32/428970332.db2.gz ITYZEQULBLTUEN-OLZOCXBDSA-N 2 1 303.381 2.944 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423768691 429015304 /nfs/dbraw/zinc/01/53/04/429015304.db2.gz FOSQBEBWUQWCDM-YQQAZPJKSA-N 2 1 305.466 2.559 20 0 DFADMP CC1(C)CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000433271402 429017722 /nfs/dbraw/zinc/01/77/22/429017722.db2.gz NGXATHPCTYNIRG-WMZOPIPTSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000433271402 429017726 /nfs/dbraw/zinc/01/77/26/429017726.db2.gz NGXATHPCTYNIRG-WMZOPIPTSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1COCC[N@@H+]1CCSCC[NH+](C)Cc1ccccc1 ZINC000433052635 428986421 /nfs/dbraw/zinc/98/64/21/428986421.db2.gz NDOKURAWYPTXRJ-INIZCTEOSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@H]1COCC[N@H+]1CCSCC[NH+](C)Cc1ccccc1 ZINC000433052635 428986427 /nfs/dbraw/zinc/98/64/27/428986427.db2.gz NDOKURAWYPTXRJ-INIZCTEOSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@H]1COCC[NH+]1CCSCC[N@H+](C)Cc1ccccc1 ZINC000433052635 428986434 /nfs/dbraw/zinc/98/64/34/428986434.db2.gz NDOKURAWYPTXRJ-INIZCTEOSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@H]1COCC[NH+]1CCSCC[N@@H+](C)Cc1ccccc1 ZINC000433052635 428986440 /nfs/dbraw/zinc/98/64/40/428986440.db2.gz NDOKURAWYPTXRJ-INIZCTEOSA-N 2 1 308.491 2.572 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C3CCOCC3)CCCC2)CC1 ZINC000354467246 428989355 /nfs/dbraw/zinc/98/93/55/428989355.db2.gz RXLGKLOJFDHNCK-MRXNPFEDSA-N 2 1 324.509 2.815 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H](C)C1 ZINC000433079738 428989796 /nfs/dbraw/zinc/98/97/96/428989796.db2.gz YGJSJGODVKTGAY-OTBHMBEGSA-N 2 1 316.489 2.863 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@H](C)C1 ZINC000433079737 428990025 /nfs/dbraw/zinc/99/00/25/428990025.db2.gz YGJSJGODVKTGAY-IHJVYAAUSA-N 2 1 316.489 2.863 20 0 DFADMP C[N@H+]1CC[C@H](NCc2nnc(C(C)(C)C)s2)[C@@H]2CCC[C@H]21 ZINC000375841109 428993431 /nfs/dbraw/zinc/99/34/31/428993431.db2.gz RBFIKHWQSBHRKJ-RWMBFGLXSA-N 2 1 308.495 2.798 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)CCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423695028 428997887 /nfs/dbraw/zinc/99/78/87/428997887.db2.gz LBTSAWLCWOMHGN-NVXWUHKLSA-N 2 1 305.466 2.531 20 0 DFADMP COCC[N@@H+](C)CCCN[C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000375863054 429000873 /nfs/dbraw/zinc/00/08/73/429000873.db2.gz VHZYWTJPFIUZJS-MRXNPFEDSA-N 2 1 308.470 2.589 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354632309 429001986 /nfs/dbraw/zinc/00/19/86/429001986.db2.gz LYTHRPVNRUVCSL-KZNAEPCWSA-N 2 1 323.525 2.734 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000375892377 429007307 /nfs/dbraw/zinc/00/73/07/429007307.db2.gz YNGJFJLMGHNHQG-YUTCNCBUSA-N 2 1 308.447 2.812 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000375892377 429007311 /nfs/dbraw/zinc/00/73/11/429007311.db2.gz YNGJFJLMGHNHQG-YUTCNCBUSA-N 2 1 308.447 2.812 20 0 DFADMP CC(C)C[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000433182904 429007774 /nfs/dbraw/zinc/00/77/74/429007774.db2.gz PLYCQDJGAKAWTM-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@@H]1n1ccnc1 ZINC000354791677 429009774 /nfs/dbraw/zinc/00/97/74/429009774.db2.gz IBJRBYORXGUOCO-IKGGRYGDSA-N 2 1 318.465 2.557 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000375903961 429012752 /nfs/dbraw/zinc/01/27/52/429012752.db2.gz IVUAGVPDSFWFIT-VQIMIIECSA-N 2 1 319.468 2.987 20 0 DFADMP CCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375908318 429014075 /nfs/dbraw/zinc/01/40/75/429014075.db2.gz VZZGGQRKKUWITC-HXUWFJFHSA-N 2 1 315.505 2.849 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423768695 429014148 /nfs/dbraw/zinc/01/41/48/429014148.db2.gz FOSQBEBWUQWCDM-ZOBUZTSGSA-N 2 1 305.466 2.559 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000375903960 429014725 /nfs/dbraw/zinc/01/47/25/429014725.db2.gz IVUAGVPDSFWFIT-QFBILLFUSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)[C@H](C)[NH3+] ZINC000423457157 429091301 /nfs/dbraw/zinc/09/13/01/429091301.db2.gz FNSSKCKTIVSCIH-SXMVTHIZSA-N 2 1 301.203 2.901 20 0 DFADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2cnoc2C)C1 ZINC000434498165 429092063 /nfs/dbraw/zinc/09/20/63/429092063.db2.gz HNQSWYFAGZYQAC-AWEZNQCLSA-N 2 1 320.462 2.702 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](Cc2cnoc2C)C1 ZINC000434498165 429092068 /nfs/dbraw/zinc/09/20/68/429092068.db2.gz HNQSWYFAGZYQAC-AWEZNQCLSA-N 2 1 320.462 2.702 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cnoc2C)C1 ZINC000434498165 429092073 /nfs/dbraw/zinc/09/20/73/429092073.db2.gz HNQSWYFAGZYQAC-AWEZNQCLSA-N 2 1 320.462 2.702 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cnn(C2CCCC2)c1 ZINC000423463037 429092190 /nfs/dbraw/zinc/09/21/90/429092190.db2.gz AIQROMXAJBASRT-GXTWGEPZSA-N 2 1 312.408 2.894 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cnn(C2CCCC2)c1 ZINC000423463047 429092742 /nfs/dbraw/zinc/09/27/42/429092742.db2.gz AIQROMXAJBASRT-OCCSQVGLSA-N 2 1 312.408 2.894 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1ccncn1 ZINC000423468979 429092847 /nfs/dbraw/zinc/09/28/47/429092847.db2.gz KCSNJWBTGWNUSX-JLJPHGGASA-N 2 1 314.408 2.660 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(F)cc1N(C)C ZINC000423468094 429093013 /nfs/dbraw/zinc/09/30/13/429093013.db2.gz FJVSPFBAGVGXQO-NEPJUHHUSA-N 2 1 315.383 2.787 20 0 DFADMP Cc1[nH+]ccn1CCCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424127390 429095241 /nfs/dbraw/zinc/09/52/41/429095241.db2.gz CUPHAMZQRDBDTF-KRWDZBQOSA-N 2 1 320.481 2.776 20 0 DFADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CC2 ZINC000423474129 429095455 /nfs/dbraw/zinc/09/54/55/429095455.db2.gz JKKNJBPGENVBON-MWLCHTKSSA-N 2 1 320.305 2.926 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)Nc1cnc2n1CCCC2)c1ccccc1 ZINC000452330417 429095935 /nfs/dbraw/zinc/09/59/35/429095935.db2.gz AWZFXLIXDDZTCQ-QGZVFWFLSA-N 2 1 312.417 2.851 20 0 DFADMP CCN(C)[C@@H](C(=O)Nc1cnc2n1CCCC2)c1ccccc1 ZINC000452330417 429095938 /nfs/dbraw/zinc/09/59/38/429095938.db2.gz AWZFXLIXDDZTCQ-QGZVFWFLSA-N 2 1 312.417 2.851 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507252 429036294 /nfs/dbraw/zinc/03/62/94/429036294.db2.gz AQMFGSQQSOKQKR-XJKSGUPXSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507252 429036297 /nfs/dbraw/zinc/03/62/97/429036297.db2.gz AQMFGSQQSOKQKR-XJKSGUPXSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507249 429036551 /nfs/dbraw/zinc/03/65/51/429036551.db2.gz AQMFGSQQSOKQKR-CJNGLKHVSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507249 429036554 /nfs/dbraw/zinc/03/65/54/429036554.db2.gz AQMFGSQQSOKQKR-CJNGLKHVSA-N 2 1 323.868 2.548 20 0 DFADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)CCCCC1 ZINC000421835326 429039327 /nfs/dbraw/zinc/03/93/27/429039327.db2.gz PSYCXGIQDNEGKC-IRXDYDNUSA-N 2 1 312.498 2.551 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000355407921 429044401 /nfs/dbraw/zinc/04/44/01/429044401.db2.gz DCLWNHYKLSYKOK-IYBDPMFKSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000355407921 429044407 /nfs/dbraw/zinc/04/44/07/429044407.db2.gz DCLWNHYKLSYKOK-IYBDPMFKSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000355407921 429044409 /nfs/dbraw/zinc/04/44/09/429044409.db2.gz DCLWNHYKLSYKOK-IYBDPMFKSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423904476 429053139 /nfs/dbraw/zinc/05/31/39/429053139.db2.gz OHWCMTDKADHFAN-BQFCYCMXSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[C@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423279489 429055738 /nfs/dbraw/zinc/05/57/38/429055738.db2.gz SBDDLSZTWMPSIV-AKHDSKFASA-N 2 1 301.478 2.755 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423280565 429055841 /nfs/dbraw/zinc/05/58/41/429055841.db2.gz URAOCLRTNZWOMY-BXUZGUMPSA-N 2 1 304.356 2.838 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452095149 429055873 /nfs/dbraw/zinc/05/58/73/429055873.db2.gz KSBHNYURXRTKKK-UHFFFAOYSA-N 2 1 303.450 2.788 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423280820 429056619 /nfs/dbraw/zinc/05/66/19/429056619.db2.gz AJWXXAMXDYBTHH-LBPRGKRZSA-N 2 1 307.438 2.822 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423289969 429057709 /nfs/dbraw/zinc/05/77/09/429057709.db2.gz YTOHVULIHOMTOL-ZDUSSCGKSA-N 2 1 306.454 2.948 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@H](C)c1ccccc1I ZINC000423300597 429060121 /nfs/dbraw/zinc/06/01/21/429060121.db2.gz RZKZLHPOLMRHAU-NXEZZACHSA-N 2 1 318.202 2.537 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452114096 429061699 /nfs/dbraw/zinc/06/16/99/429061699.db2.gz JAUSFXLEDAGAPT-UHFFFAOYSA-N 2 1 318.387 2.540 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452114096 429061704 /nfs/dbraw/zinc/06/17/04/429061704.db2.gz JAUSFXLEDAGAPT-UHFFFAOYSA-N 2 1 318.387 2.540 20 0 DFADMP [NH3+][C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000423322141 429063243 /nfs/dbraw/zinc/06/32/43/429063243.db2.gz NQPHQMURZRHOHP-IYWMVGAKSA-N 2 1 313.489 2.614 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423325527 429064884 /nfs/dbraw/zinc/06/48/84/429064884.db2.gz QBZAGFLEDZEICC-SUMWQHHRSA-N 2 1 318.465 2.948 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423326894 429065925 /nfs/dbraw/zinc/06/59/25/429065925.db2.gz KSZLEFUOVVPPGB-XHSDSOJGSA-N 2 1 317.477 2.804 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423324633 429066217 /nfs/dbraw/zinc/06/62/17/429066217.db2.gz KTAGOLHBHUIZFE-LBPRGKRZSA-N 2 1 302.422 2.503 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423322793 429066277 /nfs/dbraw/zinc/06/62/77/429066277.db2.gz HADXDHCBYYFMLS-OAHLLOKOSA-N 2 1 315.461 2.986 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423334632 429067580 /nfs/dbraw/zinc/06/75/80/429067580.db2.gz QXCHMVMEQSQHMD-CVEARBPZSA-N 2 1 317.477 2.948 20 0 DFADMP C[C@H]1[C@@H](NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000423355332 429072831 /nfs/dbraw/zinc/07/28/31/429072831.db2.gz IAZLEAXBXYLEQV-UHOSZYNNSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423355332 429072835 /nfs/dbraw/zinc/07/28/35/429072835.db2.gz IAZLEAXBXYLEQV-UHOSZYNNSA-N 2 1 301.478 2.771 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H](C)[NH3+] ZINC000423359880 429072893 /nfs/dbraw/zinc/07/28/93/429072893.db2.gz PUHYRJOPVYTESO-TVFCKZIOSA-N 2 1 323.525 2.719 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423359469 429072993 /nfs/dbraw/zinc/07/29/93/429072993.db2.gz KOJHAUTUDNXDAI-NYTXWWLZSA-N 2 1 306.450 2.783 20 0 DFADMP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423363852 429073033 /nfs/dbraw/zinc/07/30/33/429073033.db2.gz OCQMDXATZKWBIH-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423363852 429073036 /nfs/dbraw/zinc/07/30/36/429073036.db2.gz OCQMDXATZKWBIH-NZSAHSFTSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423363852 429073038 /nfs/dbraw/zinc/07/30/38/429073038.db2.gz OCQMDXATZKWBIH-NZSAHSFTSA-N 3 1 301.478 2.629 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423372169 429073356 /nfs/dbraw/zinc/07/33/56/429073356.db2.gz GVVUETDYWNLLNQ-INIZCTEOSA-N 2 1 305.466 2.561 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000423370829 429074170 /nfs/dbraw/zinc/07/41/70/429074170.db2.gz UQIATCZPQCPPMU-YJBOKZPZSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366788 429074303 /nfs/dbraw/zinc/07/43/03/429074303.db2.gz QJOUDSOKEZIOKR-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366788 429074306 /nfs/dbraw/zinc/07/43/06/429074306.db2.gz QJOUDSOKEZIOKR-UHOSZYNNSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366788 429074309 /nfs/dbraw/zinc/07/43/09/429074309.db2.gz QJOUDSOKEZIOKR-UHOSZYNNSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366788 429074311 /nfs/dbraw/zinc/07/43/11/429074311.db2.gz QJOUDSOKEZIOKR-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC[NH2+]2)cc1 ZINC000423372914 429074366 /nfs/dbraw/zinc/07/43/66/429074366.db2.gz HKGRECBOAMUTBV-UXHICEINSA-N 3 1 307.441 2.873 20 0 DFADMP c1ccc([C@@H]2C[C@H](NCc3ccc4c(c3)C[NH2+]C4)CC[NH2+]2)cc1 ZINC000423372914 429074370 /nfs/dbraw/zinc/07/43/70/429074370.db2.gz HKGRECBOAMUTBV-UXHICEINSA-N 2 1 307.441 2.873 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423383174 429076926 /nfs/dbraw/zinc/07/69/26/429076926.db2.gz GXPXLNBIJXPRQF-IRXDYDNUSA-N 2 1 317.477 2.655 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423380197 429077317 /nfs/dbraw/zinc/07/73/17/429077317.db2.gz HARKEFAYVSDYQY-INMHGKMJSA-N 2 1 304.482 2.814 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc(OC)c1OC ZINC000423384956 429079353 /nfs/dbraw/zinc/07/93/53/429079353.db2.gz QQNQZJGHMVUTMG-OBJOEFQTSA-N 2 1 308.422 2.504 20 0 DFADMP C[NH2+][C@H](C)C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423398043 429081763 /nfs/dbraw/zinc/08/17/63/429081763.db2.gz SVXYYMFVBMDVEW-ABAIWWIYSA-N 2 1 311.267 2.968 20 0 DFADMP COC[C@]1(C[NH2+][C@H]2C[C@H](c3ccccc3)C2(C)C)CCC[NH2+]1 ZINC000423413262 429082748 /nfs/dbraw/zinc/08/27/48/429082748.db2.gz JZNMECJBENNRAN-ZIFCJYIRSA-N 2 1 302.462 2.927 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423481209 429097551 /nfs/dbraw/zinc/09/75/51/429097551.db2.gz QBMSBJJLOFDMSD-SMDDNHRTSA-N 2 1 314.351 2.874 20 0 DFADMP Brc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)cc1 ZINC000423430277 429086983 /nfs/dbraw/zinc/08/69/83/429086983.db2.gz KVZMZNFWQKFPHT-LJISPDSOSA-N 2 1 307.235 2.708 20 0 DFADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423435376 429087302 /nfs/dbraw/zinc/08/73/02/429087302.db2.gz DQGZXBIVEISECK-UPFKWVMWSA-N 2 1 301.203 2.901 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000434446850 429087439 /nfs/dbraw/zinc/08/74/39/429087439.db2.gz RFVSOQGTGIKSHD-MRXNPFEDSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000434446850 429087442 /nfs/dbraw/zinc/08/74/42/429087442.db2.gz RFVSOQGTGIKSHD-MRXNPFEDSA-N 2 1 318.465 2.530 20 0 DFADMP Cc1cc(N2CCC([NH2+]C/C=C\c3ccncc3)CC2)nc(C)[nH+]1 ZINC000487279738 429147330 /nfs/dbraw/zinc/14/73/30/429147330.db2.gz ONGAHZQNCUFJHP-ARJAWSKDSA-N 2 1 323.444 2.760 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)CSC)CC1)CC(C)C ZINC000494779192 429153719 /nfs/dbraw/zinc/15/37/19/429153719.db2.gz AIHCOCAWENOEFH-KRWDZBQOSA-N 2 1 316.555 2.790 20 0 DFADMP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423496628 429098335 /nfs/dbraw/zinc/09/83/35/429098335.db2.gz FBUXCNOARSICON-IFXJQAMLSA-N 2 1 317.477 2.533 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423501717 429101132 /nfs/dbraw/zinc/10/11/32/429101132.db2.gz LMYUXNQIYHOFTK-ORAYPTAESA-N 2 1 312.461 2.762 20 0 DFADMP FCCC[C@H]1CCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423500517 429102058 /nfs/dbraw/zinc/10/20/58/429102058.db2.gz APKJWZZENOKYHK-CPFNUKBASA-N 2 1 311.489 2.711 20 0 DFADMP [NH3+][C@H](CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)CC1CCCCC1 ZINC000424164282 429102094 /nfs/dbraw/zinc/10/20/94/429102094.db2.gz ZGZGHLHQHMYXKY-QZTJIDSGSA-N 2 1 321.509 2.761 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505801 429102413 /nfs/dbraw/zinc/10/24/13/429102413.db2.gz HISVHPZQUXAOHP-HNAYVOBHSA-N 3 1 319.493 2.795 20 0 DFADMP C[C@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505801 429102418 /nfs/dbraw/zinc/10/24/18/429102418.db2.gz HISVHPZQUXAOHP-HNAYVOBHSA-N 2 1 319.493 2.795 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423520563 429105551 /nfs/dbraw/zinc/10/55/51/429105551.db2.gz RLGOPGKOOIBRPR-IPJUCJBFSA-N 2 1 301.478 2.862 20 0 DFADMP COCc1cc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000423517385 429105572 /nfs/dbraw/zinc/10/55/72/429105572.db2.gz YHBGYAJLEYGVFG-QWQRMKEZSA-N 2 1 306.450 2.819 20 0 DFADMP Cc1cccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423519721 429107193 /nfs/dbraw/zinc/10/71/93/429107193.db2.gz QIAUCSYYBLUSPP-IPJUCJBFSA-N 2 1 301.478 2.862 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424181393 429107330 /nfs/dbraw/zinc/10/73/30/429107330.db2.gz RBXUDRPQBXXANG-BPQIPLTHSA-N 2 1 323.525 2.863 20 0 DFADMP Cc1ccccc1[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423524166 429109611 /nfs/dbraw/zinc/10/96/11/429109611.db2.gz SPMGSZICIALQPT-IEBWSBKVSA-N 2 1 301.478 2.720 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000424239143 429113574 /nfs/dbraw/zinc/11/35/74/429113574.db2.gz LSHGGFCXMSHIDV-OAHLLOKOSA-N 2 1 323.440 2.839 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(Br)cn1)CC[NH2+]CC2 ZINC000424283252 429119450 /nfs/dbraw/zinc/11/94/50/429119450.db2.gz BDOZQFWQTUWFKL-LBPRGKRZSA-N 2 1 324.266 2.808 20 0 DFADMP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)C1 ZINC000424324684 429126847 /nfs/dbraw/zinc/12/68/47/429126847.db2.gz XAGXONUAFPNTQG-ABHNRTSZSA-N 2 1 322.493 2.962 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000435331566 429132056 /nfs/dbraw/zinc/13/20/56/429132056.db2.gz IBXAKPCTYVYYJK-OKZBNKHCSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000435331566 429132059 /nfs/dbraw/zinc/13/20/59/429132059.db2.gz IBXAKPCTYVYYJK-OKZBNKHCSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000435331566 429132062 /nfs/dbraw/zinc/13/20/62/429132062.db2.gz IBXAKPCTYVYYJK-OKZBNKHCSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cn(C)nc1C(C)(C)C)CC[NH2+]CC2 ZINC000424377038 429132468 /nfs/dbraw/zinc/13/24/68/429132468.db2.gz LPHQNHXKBSCKNS-AWEZNQCLSA-N 2 1 304.482 2.682 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1nccn1-c1ccccc1)CC[NH2+]CC2 ZINC000424386967 429132750 /nfs/dbraw/zinc/13/27/50/429132750.db2.gz XVRAQLIDXISWKG-INIZCTEOSA-N 2 1 310.445 2.836 20 0 DFADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424388622 429133147 /nfs/dbraw/zinc/13/31/47/429133147.db2.gz ZKRLXXUNZCVLMO-CQSZACIVSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1cccnc1 ZINC000435370802 429133250 /nfs/dbraw/zinc/13/32/50/429133250.db2.gz KDHBKBBRBNGLRI-NVXWUHKLSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(N3CCCC3)nc1)CC[NH2+]CC2 ZINC000424384221 429134078 /nfs/dbraw/zinc/13/40/78/429134078.db2.gz UZMLCTMPJAGTJV-INIZCTEOSA-N 2 1 314.477 2.646 20 0 DFADMP CCN(CC)c1ncc(C[N@H+](CC)[C@H]2CCC[NH2+]CC2)s1 ZINC000435380531 429135592 /nfs/dbraw/zinc/13/55/92/429135592.db2.gz OPXNVHCSOQVHON-AWEZNQCLSA-N 2 1 310.511 2.953 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+](CC)[C@H]2CCC[NH2+]CC2)s1 ZINC000435380531 429135596 /nfs/dbraw/zinc/13/55/96/429135596.db2.gz OPXNVHCSOQVHON-AWEZNQCLSA-N 2 1 310.511 2.953 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363918573 429139492 /nfs/dbraw/zinc/13/94/92/429139492.db2.gz CZJIQDQEQHCVKD-XYPHTWIQSA-N 2 1 319.424 2.759 20 0 DFADMP Cn1cc(C[N@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430790 429140890 /nfs/dbraw/zinc/14/08/90/429140890.db2.gz FRCXFWKJXJTVMB-MRXNPFEDSA-N 2 1 316.474 2.626 20 0 DFADMP Cn1cc(C[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430790 429140898 /nfs/dbraw/zinc/14/08/98/429140898.db2.gz FRCXFWKJXJTVMB-MRXNPFEDSA-N 2 1 316.474 2.626 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000424433310 429142209 /nfs/dbraw/zinc/14/22/09/429142209.db2.gz DOIURGOXYKCPBZ-GJZGRUSLSA-N 2 1 318.465 2.838 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccccn2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435445714 429142684 /nfs/dbraw/zinc/14/26/84/429142684.db2.gz GPOGJWKEIPIHMQ-ZDUSSCGKSA-N 2 1 302.447 2.779 20 0 DFADMP C[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435445714 429142688 /nfs/dbraw/zinc/14/26/88/429142688.db2.gz GPOGJWKEIPIHMQ-ZDUSSCGKSA-N 2 1 302.447 2.779 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)CC1 ZINC000494889139 429161330 /nfs/dbraw/zinc/16/13/30/429161330.db2.gz JTNYENJDFVYVIX-FUHIMQAGSA-N 2 1 315.505 2.958 20 0 DFADMP C[NH2+]CCCN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000435873897 429168785 /nfs/dbraw/zinc/16/87/85/429168785.db2.gz GRSISPLCVYANRY-IBGZPJMESA-N 2 1 301.478 2.584 20 0 DFADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000435873440 429168961 /nfs/dbraw/zinc/16/89/61/429168961.db2.gz CTXFZOABVOTYNP-CQSZACIVSA-N 2 1 318.396 2.665 20 0 DFADMP C[NH2+]CCC[N@H+]1CCC[C@@H](c2nc(-c3cccc(F)c3)no2)C1 ZINC000435875776 429169044 /nfs/dbraw/zinc/16/90/44/429169044.db2.gz UTYNTOVPGQTOGW-CQSZACIVSA-N 2 1 318.396 2.665 20 0 DFADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192880883 275065647 /nfs/dbraw/zinc/06/56/47/275065647.db2.gz AFSQBZDPXMWBSW-YOEHRIQHSA-N 2 1 304.434 2.748 20 0 DFADMP CCn1c(C)cc(C(=O)C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1C ZINC000495024655 429172401 /nfs/dbraw/zinc/17/24/01/429172401.db2.gz KMPRRJSKNLFPAI-OAHLLOKOSA-N 2 1 314.433 2.910 20 0 DFADMP CCn1c(C)cc(C(=O)CN2CCC[C@@H](c3[nH]cc[nH+]3)C2)c1C ZINC000495024655 429172404 /nfs/dbraw/zinc/17/24/04/429172404.db2.gz KMPRRJSKNLFPAI-OAHLLOKOSA-N 2 1 314.433 2.910 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495042588 429173162 /nfs/dbraw/zinc/17/31/62/429173162.db2.gz HLAJRNSXBPSKFB-GRDNDAEWSA-N 2 1 303.450 2.522 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495042588 429173165 /nfs/dbraw/zinc/17/31/65/429173165.db2.gz HLAJRNSXBPSKFB-GRDNDAEWSA-N 2 1 303.450 2.522 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364397013 429196386 /nfs/dbraw/zinc/19/63/86/429196386.db2.gz YWUPPMSHTJXKQG-MRXNPFEDSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](CCN1CCC2(CCC[NH+]2C)CC1)Cc1ccc(F)cc1 ZINC000364367648 429190990 /nfs/dbraw/zinc/19/09/90/429190990.db2.gz YFJHFWWCLZUSRI-UHFFFAOYSA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+](CCN1CCC2(CCC[N@@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000364367648 429190993 /nfs/dbraw/zinc/19/09/93/429190993.db2.gz YFJHFWWCLZUSRI-UHFFFAOYSA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+](CCN1CCC2(CCC[N@H+]2C)CC1)Cc1ccc(F)cc1 ZINC000364367648 429190996 /nfs/dbraw/zinc/19/09/96/429190996.db2.gz YFJHFWWCLZUSRI-UHFFFAOYSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)C1 ZINC000436279140 429193615 /nfs/dbraw/zinc/19/36/15/429193615.db2.gz ALONRBXWFYVFIS-PKOBYXMFSA-N 2 1 302.462 2.746 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC(C)(C)CCc3ccccc32)C1 ZINC000436279140 429193619 /nfs/dbraw/zinc/19/36/19/429193619.db2.gz ALONRBXWFYVFIS-PKOBYXMFSA-N 2 1 302.462 2.746 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000364481933 429212547 /nfs/dbraw/zinc/21/25/47/429212547.db2.gz HAQNWMRLIVNBLA-AEFFLSMTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000364481933 429212550 /nfs/dbraw/zinc/21/25/50/429212550.db2.gz HAQNWMRLIVNBLA-AEFFLSMTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H]1C[C@H](CNC(=[NH2+])N(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000364637554 429237918 /nfs/dbraw/zinc/23/79/18/429237918.db2.gz ZBPOVZGKROYQDJ-GOEBONIOSA-N 2 1 300.450 2.516 20 0 DFADMP CC(C)(C)OC(=O)CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000364653346 429241899 /nfs/dbraw/zinc/24/18/99/429241899.db2.gz DWQSAPNQJUUPNB-ZACQAIPSSA-N 2 1 322.493 2.915 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364669383 429246620 /nfs/dbraw/zinc/24/66/20/429246620.db2.gz DEZVUFBCDICGNJ-AWEZNQCLSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364669383 429246623 /nfs/dbraw/zinc/24/66/23/429246623.db2.gz DEZVUFBCDICGNJ-AWEZNQCLSA-N 2 1 303.381 2.725 20 0 DFADMP COCC[N@@H+](C)CCCNc1c(C)c(C)[nH+]c2ccccc21 ZINC000443438336 429250280 /nfs/dbraw/zinc/25/02/80/429250280.db2.gz FPTWGRNCKGIXPW-UHFFFAOYSA-N 2 1 301.434 2.654 20 0 DFADMP OC1(c2ccccc2)CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000364725113 429258041 /nfs/dbraw/zinc/25/80/41/429258041.db2.gz SQUISRPYLTXCQD-VQSBYGRUSA-N 2 1 314.473 2.891 20 0 DFADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C ZINC000364762301 429262659 /nfs/dbraw/zinc/26/26/59/429262659.db2.gz ZAPDNNNFSDVRRX-JENIJYKNSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1C ZINC000364762301 429262664 /nfs/dbraw/zinc/26/26/64/429262664.db2.gz ZAPDNNNFSDVRRX-JENIJYKNSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C ZINC000364762320 429263806 /nfs/dbraw/zinc/26/38/06/429263806.db2.gz ZAPDNNNFSDVRRX-YQVWRLOYSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1C ZINC000364762320 429263809 /nfs/dbraw/zinc/26/38/09/429263809.db2.gz ZAPDNNNFSDVRRX-YQVWRLOYSA-N 2 1 318.461 2.687 20 0 DFADMP C[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000491024678 429319602 /nfs/dbraw/zinc/31/96/02/429319602.db2.gz XWHQBXGAHFWTSQ-HKUYNNGSSA-N 2 1 307.526 2.915 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000449085163 429327062 /nfs/dbraw/zinc/32/70/62/429327062.db2.gz KUWRCZVZSFDTKE-JKSUJKDBSA-N 2 1 311.514 2.639 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000449087867 429328808 /nfs/dbraw/zinc/32/88/08/429328808.db2.gz XFZHDOFUFAWOEY-HOTGVXAUSA-N 2 1 311.514 2.781 20 0 DFADMP CCn1nnc(C)c1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000449100439 429330629 /nfs/dbraw/zinc/33/06/29/429330629.db2.gz QRQHMRPPVQHTIO-UHFFFAOYSA-N 2 1 315.465 2.736 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000449107244 429333185 /nfs/dbraw/zinc/33/31/85/429333185.db2.gz LWTQTDVAFSDFER-SFHVURJKSA-N 2 1 317.477 2.718 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365535754 429336859 /nfs/dbraw/zinc/33/68/59/429336859.db2.gz IFCQRCPFSWOYTA-QRVBRYPASA-N 2 1 316.493 2.778 20 0 DFADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365535754 429336864 /nfs/dbraw/zinc/33/68/64/429336864.db2.gz IFCQRCPFSWOYTA-QRVBRYPASA-N 2 1 316.493 2.778 20 0 DFADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365535754 429336867 /nfs/dbraw/zinc/33/68/67/429336867.db2.gz IFCQRCPFSWOYTA-QRVBRYPASA-N 2 1 316.493 2.778 20 0 DFADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000449161460 429347844 /nfs/dbraw/zinc/34/78/44/429347844.db2.gz FQSCSRAPJOZFIL-MOPGFXCFSA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000449161460 429347849 /nfs/dbraw/zinc/34/78/49/429347849.db2.gz FQSCSRAPJOZFIL-MOPGFXCFSA-N 2 1 302.462 2.792 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C1 ZINC000449123126 429338494 /nfs/dbraw/zinc/33/84/94/429338494.db2.gz MQXONEFYIJQIRI-LSDHHAIUSA-N 2 1 320.481 2.633 20 0 DFADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCC1 ZINC000449133954 429339467 /nfs/dbraw/zinc/33/94/67/429339467.db2.gz GBYKWEDKGIUKID-IRXDYDNUSA-N 2 1 309.498 2.522 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000365553349 429341077 /nfs/dbraw/zinc/34/10/77/429341077.db2.gz XSKDLHMVTCAMAI-JSGCOSHPSA-N 2 1 318.446 2.543 20 0 DFADMP COC(=O)[C@H](CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000425422340 429291421 /nfs/dbraw/zinc/29/14/21/429291421.db2.gz NABKZFDTNJUJIV-RYQLBKOJSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000425422340 429291424 /nfs/dbraw/zinc/29/14/24/429291424.db2.gz NABKZFDTNJUJIV-RYQLBKOJSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000425422340 429291427 /nfs/dbraw/zinc/29/14/27/429291427.db2.gz NABKZFDTNJUJIV-RYQLBKOJSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000425422340 429291432 /nfs/dbraw/zinc/29/14/32/429291432.db2.gz NABKZFDTNJUJIV-RYQLBKOJSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000425424210 429292764 /nfs/dbraw/zinc/29/27/64/429292764.db2.gz VZWUYMMOSBAECN-SJLPKXTDSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000425424210 429292767 /nfs/dbraw/zinc/29/27/67/429292767.db2.gz VZWUYMMOSBAECN-SJLPKXTDSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000425424210 429292772 /nfs/dbraw/zinc/29/27/72/429292772.db2.gz VZWUYMMOSBAECN-SJLPKXTDSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425435242 429296426 /nfs/dbraw/zinc/29/64/26/429296426.db2.gz RULDFLQLFMDPOL-KPFFTGBYSA-N 2 1 316.489 2.833 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495940003 429296908 /nfs/dbraw/zinc/29/69/08/429296908.db2.gz JEMWQNVDPWIAIY-GJZGRUSLSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495940003 429296913 /nfs/dbraw/zinc/29/69/13/429296913.db2.gz JEMWQNVDPWIAIY-GJZGRUSLSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000495940003 429296919 /nfs/dbraw/zinc/29/69/19/429296919.db2.gz JEMWQNVDPWIAIY-GJZGRUSLSA-N 2 1 313.486 2.658 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000495940003 429296923 /nfs/dbraw/zinc/29/69/23/429296923.db2.gz JEMWQNVDPWIAIY-GJZGRUSLSA-N 2 1 313.486 2.658 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000449338242 429393470 /nfs/dbraw/zinc/39/34/70/429393470.db2.gz UOUCQIZCJAHWFX-BBWFWOEESA-N 2 1 309.498 2.665 20 0 DFADMP C[C@H]([NH2+]CC1=CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449405439 429405391 /nfs/dbraw/zinc/40/53/91/429405391.db2.gz YMPRRBMTWLQGCC-LPHOPBHVSA-N 2 1 300.446 2.833 20 0 DFADMP C[C@@H](CC1CCOCC1)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000507770366 429351041 /nfs/dbraw/zinc/35/10/41/429351041.db2.gz LMJUVORQHUZZAO-ZYSHUDEJSA-N 2 1 302.462 2.866 20 0 DFADMP C[C@@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000507770366 429351048 /nfs/dbraw/zinc/35/10/48/429351048.db2.gz LMJUVORQHUZZAO-ZYSHUDEJSA-N 2 1 302.462 2.866 20 0 DFADMP Cn1ccnc1[C@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000365625037 429351950 /nfs/dbraw/zinc/35/19/50/429351950.db2.gz HHIWXDRQJGLYQW-AWEZNQCLSA-N 2 1 307.438 2.721 20 0 DFADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCC1 ZINC000449236041 429363453 /nfs/dbraw/zinc/36/34/53/429363453.db2.gz WMAYLBRQAHZXBT-MOPGFXCFSA-N 2 1 302.462 2.922 20 0 DFADMP C([NH2+][C@H]1CCOC2(CCC2)C1)C1([NH+]2CCCCC2)CCOCC1 ZINC000449228657 429363939 /nfs/dbraw/zinc/36/39/39/429363939.db2.gz ZVTDZNYNKUQXBE-KRWDZBQOSA-N 2 1 322.493 2.713 20 0 DFADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)CCC(F)(F)F ZINC000426079367 429364187 /nfs/dbraw/zinc/36/41/87/429364187.db2.gz PEWKBNCQEIEDPA-UONOGXRCSA-N 2 1 309.420 2.581 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449242336 429365728 /nfs/dbraw/zinc/36/57/28/429365728.db2.gz FMUKISWUKSTHAY-UAGQMJEPSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)C1 ZINC000449242336 429365730 /nfs/dbraw/zinc/36/57/30/429365730.db2.gz FMUKISWUKSTHAY-UAGQMJEPSA-N 2 1 308.853 2.632 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1O ZINC000426171165 429370568 /nfs/dbraw/zinc/37/05/68/429370568.db2.gz HFAPDZLKDYIFBR-DZKIICNBSA-N 2 1 306.450 2.794 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1O ZINC000426171165 429370573 /nfs/dbraw/zinc/37/05/73/429370573.db2.gz HFAPDZLKDYIFBR-DZKIICNBSA-N 2 1 306.450 2.794 20 0 DFADMP COCC(C)(C)C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000426360468 429384808 /nfs/dbraw/zinc/38/48/08/429384808.db2.gz KBNCCPZWWSIORL-HNNXBMFYSA-N 2 1 305.466 2.990 20 0 DFADMP COCC(C)(C)C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000426360468 429384809 /nfs/dbraw/zinc/38/48/09/429384809.db2.gz KBNCCPZWWSIORL-HNNXBMFYSA-N 2 1 305.466 2.990 20 0 DFADMP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@@H+]2CC=CCC2)CC1 ZINC000366251036 429440174 /nfs/dbraw/zinc/44/01/74/429440174.db2.gz UTTVZMJQRZLCJB-PKOBYXMFSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366259235 429442716 /nfs/dbraw/zinc/44/27/16/429442716.db2.gz NCZXLYZLPXPVDN-XYPHTWIQSA-N 2 1 319.424 2.759 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427299727 429444133 /nfs/dbraw/zinc/44/41/33/429444133.db2.gz PNKBYIMHJSRNNH-IXDOHACOSA-N 2 1 323.525 2.639 20 0 DFADMP CCN1C[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000449523809 429444715 /nfs/dbraw/zinc/44/47/15/429444715.db2.gz ZHPJLWZITUFZBO-MRXNPFEDSA-N 2 1 323.525 2.876 20 0 DFADMP OCC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000449580192 429454116 /nfs/dbraw/zinc/45/41/16/429454116.db2.gz NVOMDNPSLKPMAP-GBESFXJTSA-N 2 1 314.473 2.649 20 0 DFADMP OCC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000449579481 429454629 /nfs/dbraw/zinc/45/46/29/429454629.db2.gz GNVPBAMNNQLMSB-YQQQUEKLSA-N 2 1 314.473 2.934 20 0 DFADMP COCC[NH+]1CCC([NH2+]C2CCc3ccccc3CC2)CC1 ZINC000449596572 429457368 /nfs/dbraw/zinc/45/73/68/429457368.db2.gz XTUBDWVSCYIJKQ-UHFFFAOYSA-N 2 1 302.462 2.634 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366071335 429411906 /nfs/dbraw/zinc/41/19/06/429411906.db2.gz CUMDACDVABALJH-CVEARBPZSA-N 2 1 301.438 2.631 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@@H](C)[N@@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000518197160 429415042 /nfs/dbraw/zinc/41/50/42/429415042.db2.gz CXBUFDNZYDPHAF-GASCZTMLSA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@@H](C)[N@H+](C)[C@@H](C)C2)c2ccccn21 ZINC000518197160 429415046 /nfs/dbraw/zinc/41/50/46/429415046.db2.gz CXBUFDNZYDPHAF-GASCZTMLSA-N 2 1 300.450 2.982 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426781056 429415246 /nfs/dbraw/zinc/41/52/46/429415246.db2.gz XRLXELRDGNFLBR-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@](C)(O)C(F)(F)F)C1 ZINC000518757544 429431335 /nfs/dbraw/zinc/43/13/35/429431335.db2.gz DWASMGFZJOGLKN-MJBXVCDLSA-N 2 1 310.404 2.647 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427131837 429432382 /nfs/dbraw/zinc/43/23/82/429432382.db2.gz WBDIJURAMCBNMP-HIFRSBDPSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427131837 429432386 /nfs/dbraw/zinc/43/23/86/429432386.db2.gz WBDIJURAMCBNMP-HIFRSBDPSA-N 2 1 314.351 2.812 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1F ZINC000427119742 429434193 /nfs/dbraw/zinc/43/41/93/429434193.db2.gz MFWSPELGOHPDNN-QRTARXTBSA-N 2 1 306.425 2.697 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427133543 429434263 /nfs/dbraw/zinc/43/42/63/429434263.db2.gz PNELKMGEGBVRLW-HIFRSBDPSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427133543 429434268 /nfs/dbraw/zinc/43/42/68/429434268.db2.gz PNELKMGEGBVRLW-HIFRSBDPSA-N 2 1 314.351 2.812 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000427141254 429434550 /nfs/dbraw/zinc/43/45/50/429434550.db2.gz ACSDCOVZOZBBRM-QGZVFWFLSA-N 2 1 323.525 2.593 20 0 DFADMP COc1ccc(Cl)cc1[C@H](C)NC[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366219624 429437471 /nfs/dbraw/zinc/43/74/71/429437471.db2.gz SBBVOOGUNXZWEG-NWANDNLSSA-N 2 1 324.852 2.862 20 0 DFADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000366219624 429437477 /nfs/dbraw/zinc/43/74/77/429437477.db2.gz SBBVOOGUNXZWEG-NWANDNLSSA-N 2 1 324.852 2.862 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427898311 429477405 /nfs/dbraw/zinc/47/74/05/429477405.db2.gz SZDBJCQAXHSAQH-NZSAHSFTSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCn2ccnc2C1 ZINC000427898311 429477409 /nfs/dbraw/zinc/47/74/09/429477409.db2.gz SZDBJCQAXHSAQH-NZSAHSFTSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000449712622 429486406 /nfs/dbraw/zinc/48/64/06/429486406.db2.gz SQQCLAWVPBOBBS-OQIJWPOYSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000449712622 429486415 /nfs/dbraw/zinc/48/64/15/429486415.db2.gz SQQCLAWVPBOBBS-OQIJWPOYSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)n1 ZINC000428041059 429486795 /nfs/dbraw/zinc/48/67/95/429486795.db2.gz NLRAECARMOILHD-HKUYNNGSSA-N 2 1 310.445 2.673 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@@H+]1Cc1ccccc1 ZINC000449712620 429487788 /nfs/dbraw/zinc/48/77/88/429487788.db2.gz SQQCLAWVPBOBBS-JCHJZTRSSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2CO)CC[N@H+]1Cc1ccccc1 ZINC000449712620 429487792 /nfs/dbraw/zinc/48/77/92/429487792.db2.gz SQQCLAWVPBOBBS-JCHJZTRSSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)CC1 ZINC000366692766 429496068 /nfs/dbraw/zinc/49/60/68/429496068.db2.gz DYQWFHCYQIQMSS-LJQANCHMSA-N 3 1 313.489 2.891 20 0 DFADMP CCn1nc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000366751489 429506911 /nfs/dbraw/zinc/50/69/11/429506911.db2.gz OKYUUUAXSKETGR-CQSZACIVSA-N 2 1 309.417 2.605 20 0 DFADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449828470 429519058 /nfs/dbraw/zinc/51/90/58/429519058.db2.gz XEPQMDBIGLKZEK-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449837958 429521542 /nfs/dbraw/zinc/52/15/42/429521542.db2.gz YNNUFBXIMYUMAT-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[S@](=O)c2ccccc2)CC1 ZINC000520606895 429523144 /nfs/dbraw/zinc/52/31/44/429523144.db2.gz UENNNBQNAGOWQM-QFIPXVFZSA-N 2 1 322.518 2.846 20 0 DFADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC000428840011 429555521 /nfs/dbraw/zinc/55/55/21/429555521.db2.gz NFJBNKZXUPUFHL-QGZVFWFLSA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccccc1 ZINC000428840011 429555526 /nfs/dbraw/zinc/55/55/26/429555526.db2.gz NFJBNKZXUPUFHL-QGZVFWFLSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+]1CCC([N@H+](C[C@H](O)Cc2ccccc2)C2CC2)CC1 ZINC000367006925 429556624 /nfs/dbraw/zinc/55/66/24/429556624.db2.gz KBIRHUABDVXXCC-LJQANCHMSA-N 2 1 302.462 2.539 20 0 DFADMP CC[NH+]1CCC([N@@H+](C[C@H](O)Cc2ccccc2)C2CC2)CC1 ZINC000367006925 429556629 /nfs/dbraw/zinc/55/66/29/429556629.db2.gz KBIRHUABDVXXCC-LJQANCHMSA-N 2 1 302.462 2.539 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624740 429559114 /nfs/dbraw/zinc/55/91/14/429559114.db2.gz IVZOEVWHIRPRMS-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C[NH+](C)C ZINC000521624740 429559116 /nfs/dbraw/zinc/55/91/16/429559116.db2.gz IVZOEVWHIRPRMS-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000428914603 429559525 /nfs/dbraw/zinc/55/95/25/429559525.db2.gz GAZMNYPZWJKPCV-DAYGRLMNSA-N 2 1 317.477 2.799 20 0 DFADMP C[C@H]([NH3+])C1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000428900767 429560442 /nfs/dbraw/zinc/56/04/42/429560442.db2.gz ZXDASVGGDIMFJQ-LRDDRELGSA-N 2 1 323.868 2.529 20 0 DFADMP Cn1cc([C@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)nc2)cn1 ZINC000367080454 429573869 /nfs/dbraw/zinc/57/38/69/429573869.db2.gz LCZQPTDODRVLLY-QGZVFWFLSA-N 2 1 322.416 2.728 20 0 DFADMP Cn1cc([C@H]2CCCCN2Cc2ccc(-n3ccnc3)nc2)cn1 ZINC000367080454 429573874 /nfs/dbraw/zinc/57/38/74/429573874.db2.gz LCZQPTDODRVLLY-QGZVFWFLSA-N 2 1 322.416 2.728 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000521030776 429535460 /nfs/dbraw/zinc/53/54/60/429535460.db2.gz AJROPTXNFSMVAC-HJZRJOMTSA-N 2 1 302.462 2.758 20 0 DFADMP COc1ccc(OCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000366900639 429536730 /nfs/dbraw/zinc/53/67/30/429536730.db2.gz GRGIPYUGTLOCJV-UHFFFAOYSA-N 2 1 318.461 2.882 20 0 DFADMP COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1OCC(C)C ZINC000521068141 429538302 /nfs/dbraw/zinc/53/83/02/429538302.db2.gz NKAWTJFPMYVJGB-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP CN1CC[NH+]=C1NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366932236 429543077 /nfs/dbraw/zinc/54/30/77/429543077.db2.gz JXLIYHYETJSBHK-ZBFHGGJFSA-N 2 1 320.868 2.614 20 0 DFADMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC1(F)CC1)CC2 ZINC000521234084 429545194 /nfs/dbraw/zinc/54/51/94/429545194.db2.gz GOUIJDNGDAKZQV-ZDUSSCGKSA-N 2 1 309.454 2.932 20 0 DFADMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CC1(F)CC1)CC2 ZINC000521234084 429545199 /nfs/dbraw/zinc/54/51/99/429545199.db2.gz GOUIJDNGDAKZQV-ZDUSSCGKSA-N 2 1 309.454 2.932 20 0 DFADMP C[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)[C@@H](C)CN1Cc1ccccc1 ZINC000492872678 429634079 /nfs/dbraw/zinc/63/40/79/429634079.db2.gz ZKCOIBJENIQEJS-USQNJUIBSA-N 2 1 324.428 2.544 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450471602 429636285 /nfs/dbraw/zinc/63/62/85/429636285.db2.gz WIRGCNQSBLCVQF-APWZRJJASA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000492894550 429638728 /nfs/dbraw/zinc/63/87/28/429638728.db2.gz HDVHRUBATCZUKT-KJMJWJSPSA-N 2 1 316.449 2.536 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N1CCCCC1 ZINC000429246312 429591240 /nfs/dbraw/zinc/59/12/40/429591240.db2.gz NSCTUISJVMFVDH-UHFFFAOYSA-N 2 1 320.481 2.560 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N1CCCCC1 ZINC000429246312 429591244 /nfs/dbraw/zinc/59/12/44/429591244.db2.gz NSCTUISJVMFVDH-UHFFFAOYSA-N 2 1 320.481 2.560 20 0 DFADMP C[N@@H+]1CCO[C@@H](CNc2ccnc3cc(F)c(Cl)cc32)C1 ZINC000450290466 429593438 /nfs/dbraw/zinc/59/34/38/429593438.db2.gz RBHYEHQTHVLVRC-JTQLQIEISA-N 2 1 309.772 2.770 20 0 DFADMP C[N@H+]1CCO[C@@H](CNc2ccnc3cc(F)c(Cl)cc32)C1 ZINC000450290466 429593444 /nfs/dbraw/zinc/59/34/44/429593444.db2.gz RBHYEHQTHVLVRC-JTQLQIEISA-N 2 1 309.772 2.770 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000429340012 429602090 /nfs/dbraw/zinc/60/20/90/429602090.db2.gz SXTPPURYEVFVPV-UHFFFAOYSA-N 2 1 312.417 2.681 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450340143 429604697 /nfs/dbraw/zinc/60/46/97/429604697.db2.gz UPOBZVYIJRXJLB-LPHOPBHVSA-N 2 1 304.478 2.956 20 0 DFADMP CCn1nccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367256893 429606392 /nfs/dbraw/zinc/60/63/92/429606392.db2.gz BTKQOCCTSDZNMF-QGZVFWFLSA-N 2 1 304.482 2.643 20 0 DFADMP CCn1nccc1CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367256893 429606397 /nfs/dbraw/zinc/60/63/97/429606397.db2.gz BTKQOCCTSDZNMF-QGZVFWFLSA-N 2 1 304.482 2.643 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000429513499 429612858 /nfs/dbraw/zinc/61/28/58/429612858.db2.gz WEEHYWXRKMZFOU-AWEZNQCLSA-N 2 1 314.433 2.733 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000164591297 276020218 /nfs/dbraw/zinc/02/02/18/276020218.db2.gz NKZGIWHXJWDMQS-YJBOKZPZSA-N 2 1 317.477 2.661 20 0 DFADMP CCc1cc(CCC[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)on1 ZINC000450586185 429653461 /nfs/dbraw/zinc/65/34/61/429653461.db2.gz BJGVUVZRIUZSAT-RHSMWYFYSA-N 2 1 302.422 2.949 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000271257887 276075115 /nfs/dbraw/zinc/07/51/15/276075115.db2.gz HNKQEPZMTJAWNK-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP CC[NH+](C)C[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271257887 276075118 /nfs/dbraw/zinc/07/51/18/276075118.db2.gz HNKQEPZMTJAWNK-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP CC[NH+](C)C[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271257887 276075120 /nfs/dbraw/zinc/07/51/20/276075120.db2.gz HNKQEPZMTJAWNK-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103193295 276077640 /nfs/dbraw/zinc/07/76/40/276077640.db2.gz GEFRGBFSUHIMMZ-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000134139556 276180279 /nfs/dbraw/zinc/18/02/79/276180279.db2.gz YPLXNKATQQYDLA-RCCFBDPRSA-N 2 1 321.509 2.511 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000134139556 276180281 /nfs/dbraw/zinc/18/02/81/276180281.db2.gz YPLXNKATQQYDLA-RCCFBDPRSA-N 2 1 321.509 2.511 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000367601351 429681401 /nfs/dbraw/zinc/68/14/01/429681401.db2.gz NSFIYRDZOANHOZ-PBHICJAKSA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000367601351 429681407 /nfs/dbraw/zinc/68/14/07/429681407.db2.gz NSFIYRDZOANHOZ-PBHICJAKSA-N 2 1 318.490 2.963 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367598207 429682532 /nfs/dbraw/zinc/68/25/32/429682532.db2.gz DDKBYJPJJXDZQQ-KURKYZTESA-N 2 1 301.434 2.607 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599897 429683210 /nfs/dbraw/zinc/68/32/10/429683210.db2.gz IMXYIPUWYUGUAZ-GUDVDZBRSA-N 2 1 301.478 2.581 20 0 DFADMP C[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599897 429683215 /nfs/dbraw/zinc/68/32/15/429683215.db2.gz IMXYIPUWYUGUAZ-GUDVDZBRSA-N 2 1 301.478 2.581 20 0 DFADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599897 429683220 /nfs/dbraw/zinc/68/32/20/429683220.db2.gz IMXYIPUWYUGUAZ-GUDVDZBRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@@H](C)C1 ZINC000358374726 276231561 /nfs/dbraw/zinc/23/15/61/276231561.db2.gz OZIRTZUXIURKEV-WBAXXEDZSA-N 2 1 315.461 2.804 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC000354873982 276234507 /nfs/dbraw/zinc/23/45/07/276234507.db2.gz FTNKUACHBNMNBX-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC000354873982 276234508 /nfs/dbraw/zinc/23/45/08/276234508.db2.gz FTNKUACHBNMNBX-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000354873982 276234511 /nfs/dbraw/zinc/23/45/11/276234511.db2.gz FTNKUACHBNMNBX-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000430553791 429690105 /nfs/dbraw/zinc/69/01/05/429690105.db2.gz PEKAWJGUPCJORW-CQSZACIVSA-N 2 1 321.440 2.783 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430552742 429690354 /nfs/dbraw/zinc/69/03/54/429690354.db2.gz KOEGACFXGPYZCM-KGLIPLIRSA-N 2 1 307.413 2.522 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367619520 429686529 /nfs/dbraw/zinc/68/65/29/429686529.db2.gz WTNZSARETGGDEN-GUDVDZBRSA-N 2 1 318.461 2.674 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000246870081 276308380 /nfs/dbraw/zinc/30/83/80/276308380.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246870081 276308381 /nfs/dbraw/zinc/30/83/81/276308381.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246870081 276308383 /nfs/dbraw/zinc/30/83/83/276308383.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 3 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000246870081 276308385 /nfs/dbraw/zinc/30/83/85/276308385.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[NH+](C)C[C@H]2C)c1 ZINC000246870081 276308387 /nfs/dbraw/zinc/30/83/87/276308387.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246870081 276308389 /nfs/dbraw/zinc/30/83/89/276308389.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246870081 276308391 /nfs/dbraw/zinc/30/83/91/276308391.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000246870081 276308393 /nfs/dbraw/zinc/30/83/93/276308393.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C)C[C@H]2C)c1 ZINC000246870081 276308394 /nfs/dbraw/zinc/30/83/94/276308394.db2.gz CNGQMXDZHMQNAK-JTDSTZFVSA-N 2 1 303.494 2.957 20 0 DFADMP C[C@](C[NH3+])([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000430591646 429699367 /nfs/dbraw/zinc/69/93/67/429699367.db2.gz KXASARHUKQWILU-MRXNPFEDSA-N 2 1 320.824 2.650 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+](C)CC(C)(C)C[NH3+])cc2)n1 ZINC000430562194 429692374 /nfs/dbraw/zinc/69/23/74/429692374.db2.gz CUSFJDVBJHDKGE-UHFFFAOYSA-N 2 1 300.450 2.906 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1ccc(OCc2cccnc2)cc1)C1CC1 ZINC000430572827 429693577 /nfs/dbraw/zinc/69/35/77/429693577.db2.gz KMSBBULDNODUFC-LJQANCHMSA-N 2 1 311.429 2.878 20 0 DFADMP COCCOCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000367657609 429694742 /nfs/dbraw/zinc/69/47/42/429694742.db2.gz IETRDZPQRSTNDH-ZDUSSCGKSA-N 2 1 321.396 2.633 20 0 DFADMP Cc1cccn2c(C[N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)cnc12 ZINC000367660192 429694839 /nfs/dbraw/zinc/69/48/39/429694839.db2.gz YRVOUOWGSXIEFL-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1cccn2c(C[N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)cnc12 ZINC000367660192 429694843 /nfs/dbraw/zinc/69/48/43/429694843.db2.gz YRVOUOWGSXIEFL-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(OCc2cccnc2)cc1)C1CC1 ZINC000430572825 429694861 /nfs/dbraw/zinc/69/48/61/429694861.db2.gz KMSBBULDNODUFC-IBGZPJMESA-N 2 1 311.429 2.878 20 0 DFADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430580272 429696244 /nfs/dbraw/zinc/69/62/44/429696244.db2.gz RRCCLMAJRJPCLJ-IBGZPJMESA-N 2 1 317.477 2.776 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583785 429696992 /nfs/dbraw/zinc/69/69/92/429696992.db2.gz TUJBPACJEXHYON-ZBFHGGJFSA-N 2 1 314.433 2.728 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266422 276365647 /nfs/dbraw/zinc/36/56/47/276365647.db2.gz NMDURNVAMONPIO-ROUUACIJSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367673244 429698395 /nfs/dbraw/zinc/69/83/95/429698395.db2.gz RCZJALWQPSWVSF-AOIWGVFYSA-N 2 1 307.526 2.913 20 0 DFADMP CCN(CCC[NH+](C)C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000367728262 429707134 /nfs/dbraw/zinc/70/71/34/429707134.db2.gz RVJLJNXEXLMTOU-UHFFFAOYSA-N 2 1 324.538 2.683 20 0 DFADMP CCCN(C(=O)C[C@H](C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000430689796 429709733 /nfs/dbraw/zinc/70/97/33/429709733.db2.gz BEBJGXPVAUEPAI-FUHWJXTLSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(C)CC[NH2+]C2)cc1 ZINC000430770088 429716476 /nfs/dbraw/zinc/71/64/76/429716476.db2.gz NLLQZVXSMJFDQH-DNVCBOLYSA-N 2 1 315.461 2.999 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1[NH3+] ZINC000430950795 429727898 /nfs/dbraw/zinc/72/78/98/429727898.db2.gz SMJPDFWVIXHCDX-KXBFYZLASA-N 2 1 311.429 2.830 20 0 DFADMP C[NH+]1CCC(N[C@@H]2C[C@@H](C3CC3)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367893975 429738939 /nfs/dbraw/zinc/73/89/39/429738939.db2.gz AOKUDSYQTSXWOR-UXHICEINSA-N 2 1 313.489 2.723 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000431070957 429740381 /nfs/dbraw/zinc/74/03/81/429740381.db2.gz NAKUKSPJYLEDPE-HNNXBMFYSA-N 2 1 314.433 2.718 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](Cc3ccccc3)C2)n1 ZINC000431070957 429740389 /nfs/dbraw/zinc/74/03/89/429740389.db2.gz NAKUKSPJYLEDPE-HNNXBMFYSA-N 2 1 314.433 2.718 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000484833870 429741728 /nfs/dbraw/zinc/74/17/28/429741728.db2.gz HSRKCWBWCKVZSU-NXWXRZEISA-N 2 1 302.462 2.927 20 0 DFADMP Cc1cnc(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000432071201 429798454 /nfs/dbraw/zinc/79/84/54/429798454.db2.gz GPRMVOKTAHEUTC-ZDUSSCGKSA-N 2 1 302.447 2.974 20 0 DFADMP Cc1cnc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000432071201 429798458 /nfs/dbraw/zinc/79/84/58/429798458.db2.gz GPRMVOKTAHEUTC-ZDUSSCGKSA-N 2 1 302.447 2.974 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCC(=O)OC(C)C)C1)CCCC2 ZINC000432117178 429803014 /nfs/dbraw/zinc/80/30/14/429803014.db2.gz PCRFHURUIMNJJN-HNNXBMFYSA-N 2 1 319.449 2.659 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCC(=O)OC(C)C)C1)CCCC2 ZINC000432117178 429803017 /nfs/dbraw/zinc/80/30/17/429803017.db2.gz PCRFHURUIMNJJN-HNNXBMFYSA-N 2 1 319.449 2.659 20 0 DFADMP CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451293981 429805261 /nfs/dbraw/zinc/80/52/61/429805261.db2.gz XFDMZMYRONMMQC-LJQANCHMSA-N 2 1 321.509 2.630 20 0 DFADMP Cn1cccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367958643 429751038 /nfs/dbraw/zinc/75/10/38/429751038.db2.gz FBVVSOLMXAXDBJ-RTBURBONSA-N 2 1 309.457 2.979 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC1(C)C ZINC000486972867 429757909 /nfs/dbraw/zinc/75/79/09/429757909.db2.gz TYAQPTRHIKCHLA-APWZRJJASA-N 2 1 315.505 2.958 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000367996558 429761659 /nfs/dbraw/zinc/76/16/59/429761659.db2.gz CJCIEINRJMFNAJ-KRWDZBQOSA-N 2 1 309.417 2.878 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000367996558 429761661 /nfs/dbraw/zinc/76/16/61/429761661.db2.gz CJCIEINRJMFNAJ-KRWDZBQOSA-N 2 1 309.417 2.878 20 0 DFADMP Cc1cnn(C)c1C[N@@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000368021130 429768099 /nfs/dbraw/zinc/76/80/99/429768099.db2.gz XWVKHKKFQSDQDL-HNNXBMFYSA-N 2 1 301.438 2.713 20 0 DFADMP CCOc1cc(C[NH2+]CCCn2cc[nH+]c2C)c(F)cc1OC ZINC000527642394 429772693 /nfs/dbraw/zinc/77/26/93/429772693.db2.gz SKYTWEOVDICNHT-UHFFFAOYSA-N 2 1 321.396 2.918 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527663677 429775696 /nfs/dbraw/zinc/77/56/96/429775696.db2.gz BLOQDWMYXVZIRE-MVJPYGJCSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527663677 429775701 /nfs/dbraw/zinc/77/57/01/429775701.db2.gz BLOQDWMYXVZIRE-MVJPYGJCSA-N 2 1 314.473 2.648 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000431841389 429786045 /nfs/dbraw/zinc/78/60/45/429786045.db2.gz BWXUDSLUGJDTHX-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP CC(C)N1CCCC[C@H]1C[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451213616 429788877 /nfs/dbraw/zinc/78/88/77/429788877.db2.gz FFLLNTPSIBWWFB-IRXDYDNUSA-N 2 1 323.525 2.863 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368105070 429788987 /nfs/dbraw/zinc/78/89/87/429788987.db2.gz NUCMNLDHZVJRCB-GWCFXTLKSA-N 2 1 301.365 2.692 20 0 DFADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431906939 429789992 /nfs/dbraw/zinc/78/99/92/429789992.db2.gz KEKQEKPYGZJAPP-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000368135996 429794938 /nfs/dbraw/zinc/79/49/38/429794938.db2.gz SIDVHWYXMJUFBZ-CQSZACIVSA-N 2 1 324.900 2.800 20 0 DFADMP C[N@H+]1CC[C@H](CNc2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 ZINC000432368389 429817264 /nfs/dbraw/zinc/81/72/64/429817264.db2.gz MIKBDQFIBUOMFU-CYBMUJFWSA-N 2 1 304.482 3.435 20 0 DFADMP CCCn1nc(C)c(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000432355465 429818026 /nfs/dbraw/zinc/81/80/26/429818026.db2.gz DCBYQDOZFLYZGX-HNNXBMFYSA-N 2 1 322.497 2.500 20 0 DFADMP CCCn1nc(C)c(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC000432355465 429818028 /nfs/dbraw/zinc/81/80/28/429818028.db2.gz DCBYQDOZFLYZGX-HNNXBMFYSA-N 2 1 322.497 2.500 20 0 DFADMP Cc1c[nH+]cn1CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000527913802 429820041 /nfs/dbraw/zinc/82/00/41/429820041.db2.gz BQQKDMPIUBOIGV-UHFFFAOYSA-N 2 1 312.417 2.816 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432419096 429822386 /nfs/dbraw/zinc/82/23/86/429822386.db2.gz YVWWLFFWKZGRTA-ZFWWWQNUSA-N 2 1 323.506 2.919 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432419096 429822391 /nfs/dbraw/zinc/82/23/91/429822391.db2.gz YVWWLFFWKZGRTA-ZFWWWQNUSA-N 2 1 323.506 2.919 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1N(C)C ZINC000432410523 429822596 /nfs/dbraw/zinc/82/25/96/429822596.db2.gz PRFFSKBXGLUMPJ-DLBZAZTESA-N 2 1 319.493 2.904 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000527952038 429827300 /nfs/dbraw/zinc/82/73/00/429827300.db2.gz SRXFDEVIUNSMJU-CADBVGFASA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000527952038 429827303 /nfs/dbraw/zinc/82/73/03/429827303.db2.gz SRXFDEVIUNSMJU-CADBVGFASA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000527952038 429827304 /nfs/dbraw/zinc/82/73/04/429827304.db2.gz SRXFDEVIUNSMJU-CADBVGFASA-N 2 1 305.510 2.856 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000527952038 429827308 /nfs/dbraw/zinc/82/73/08/429827308.db2.gz SRXFDEVIUNSMJU-CADBVGFASA-N 2 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000527952038 429827310 /nfs/dbraw/zinc/82/73/10/429827310.db2.gz SRXFDEVIUNSMJU-CADBVGFASA-N 2 1 305.510 2.856 20 0 DFADMP Cn1cc2ccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc2n1 ZINC000527966157 429827980 /nfs/dbraw/zinc/82/79/80/429827980.db2.gz UGNMMEUVQDCBNA-UHFFFAOYSA-N 2 1 300.450 2.926 20 0 DFADMP CC/C=C\CC[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451528660 429844095 /nfs/dbraw/zinc/84/40/95/429844095.db2.gz LSPJMWJDWJRSAK-HMECNJMJSA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C\CC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528660 429844097 /nfs/dbraw/zinc/84/40/97/429844097.db2.gz LSPJMWJDWJRSAK-HMECNJMJSA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C\CC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528660 429844100 /nfs/dbraw/zinc/84/41/00/429844100.db2.gz LSPJMWJDWJRSAK-HMECNJMJSA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C\CC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528660 429844104 /nfs/dbraw/zinc/84/41/04/429844104.db2.gz LSPJMWJDWJRSAK-HMECNJMJSA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C\CC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528660 429844107 /nfs/dbraw/zinc/84/41/07/429844107.db2.gz LSPJMWJDWJRSAK-HMECNJMJSA-N 2 1 321.509 2.609 20 0 DFADMP c1ccc(COC2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000493888958 429847279 /nfs/dbraw/zinc/84/72/79/429847279.db2.gz QTOREDBQUQSQIC-CSODTCANSA-N 2 1 300.446 2.951 20 0 DFADMP c1ccc(COC2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000493888958 429847282 /nfs/dbraw/zinc/84/72/82/429847282.db2.gz QTOREDBQUQSQIC-CSODTCANSA-N 2 1 300.446 2.951 20 0 DFADMP c1ccc(COC2CC([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000493909831 429848341 /nfs/dbraw/zinc/84/83/41/429848341.db2.gz XRRTVENIYXMQLF-MUYFXNHWSA-N 2 1 300.446 2.808 20 0 DFADMP CC1CCC([NH+]2CCC([N@@H+](C)CCc3ccnn3C)CC2)CC1 ZINC000368487711 429856486 /nfs/dbraw/zinc/85/64/86/429856486.db2.gz KZKFJVNETXKZHO-UHFFFAOYSA-N 2 1 318.509 2.938 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000368504224 429858741 /nfs/dbraw/zinc/85/87/41/429858741.db2.gz UBLVXXYUANARLC-DZGCQCFKSA-N 2 1 317.408 2.814 20 0 DFADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000494306299 429866414 /nfs/dbraw/zinc/86/64/14/429866414.db2.gz CZDNFIKWZJAPBP-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@@H]1c1ccccc1 ZINC000368229058 429813025 /nfs/dbraw/zinc/81/30/25/429813025.db2.gz SOWNCOIQQPYMAT-QAPCUYQASA-N 2 1 321.428 2.692 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CC12CC2 ZINC000527887771 429814370 /nfs/dbraw/zinc/81/43/70/429814370.db2.gz OYSQSPJLOVARCV-KFKAGJAMSA-N 2 1 314.473 2.922 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528390343 429884104 /nfs/dbraw/zinc/88/41/04/429884104.db2.gz WXJBDKCYZAMHBH-IEBWSBKVSA-N 2 1 320.452 2.801 20 0 DFADMP CCn1nc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c2ccccc21 ZINC000368708640 429889048 /nfs/dbraw/zinc/88/90/48/429889048.db2.gz YYZFIJGHKOIZGX-AYBZRNKSSA-N 2 1 324.472 2.972 20 0 DFADMP CCn1nc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c2ccccc21 ZINC000368708643 429889094 /nfs/dbraw/zinc/88/90/94/429889094.db2.gz YYZFIJGHKOIZGX-SUMDDJOVSA-N 2 1 324.472 2.972 20 0 DFADMP CCn1nc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c2ccccc21 ZINC000368708642 429889424 /nfs/dbraw/zinc/88/94/24/429889424.db2.gz YYZFIJGHKOIZGX-HHXXYDBFSA-N 2 1 324.472 2.972 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000369033251 429908380 /nfs/dbraw/zinc/90/83/80/429908380.db2.gz XXRYWVAVPIFIPB-HUUCEWRRSA-N 2 1 320.481 2.947 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000369033251 429908382 /nfs/dbraw/zinc/90/83/82/429908382.db2.gz XXRYWVAVPIFIPB-HUUCEWRRSA-N 2 1 320.481 2.947 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000369033252 429908411 /nfs/dbraw/zinc/90/84/11/429908411.db2.gz XXRYWVAVPIFIPB-LSDHHAIUSA-N 2 1 320.481 2.947 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000369033252 429908413 /nfs/dbraw/zinc/90/84/13/429908413.db2.gz XXRYWVAVPIFIPB-LSDHHAIUSA-N 2 1 320.481 2.947 20 0 DFADMP CN(C(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000369054703 429909336 /nfs/dbraw/zinc/90/93/36/429909336.db2.gz MMMNXOYJNRXNMA-SFHVURJKSA-N 2 1 300.450 2.517 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC(F)(F)C[C@@H]2C)CC1 ZINC000528768321 429914769 /nfs/dbraw/zinc/91/47/69/429914769.db2.gz JTSSBIKLDFERQC-HNNXBMFYSA-N 2 1 303.441 2.522 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369201701 429919157 /nfs/dbraw/zinc/91/91/57/429919157.db2.gz BNHVKQLUAVYCMA-UHFFFAOYSA-N 2 1 318.509 2.853 20 0 DFADMP O[C@@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000369295294 429922607 /nfs/dbraw/zinc/92/26/07/429922607.db2.gz VMQQARKAHFPKGH-HBMCJLEFSA-N 2 1 322.452 2.784 20 0 DFADMP O[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000369295294 429922608 /nfs/dbraw/zinc/92/26/08/429922608.db2.gz VMQQARKAHFPKGH-HBMCJLEFSA-N 2 1 322.452 2.784 20 0 DFADMP O[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000369295294 429922609 /nfs/dbraw/zinc/92/26/09/429922609.db2.gz VMQQARKAHFPKGH-HBMCJLEFSA-N 2 1 322.452 2.784 20 0 DFADMP O[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000369295294 429922610 /nfs/dbraw/zinc/92/26/10/429922610.db2.gz VMQQARKAHFPKGH-HBMCJLEFSA-N 2 1 322.452 2.784 20 0 DFADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000573487019 429956460 /nfs/dbraw/zinc/95/64/60/429956460.db2.gz DSVBWTMWWQLLDS-GDBMZVCRSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000573487019 429956463 /nfs/dbraw/zinc/95/64/63/429956463.db2.gz DSVBWTMWWQLLDS-GDBMZVCRSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000573487019 429956465 /nfs/dbraw/zinc/95/64/65/429956465.db2.gz DSVBWTMWWQLLDS-GDBMZVCRSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000573487019 429956468 /nfs/dbraw/zinc/95/64/68/429956468.db2.gz DSVBWTMWWQLLDS-GDBMZVCRSA-N 2 1 306.450 2.784 20 0 DFADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573476590 429957232 /nfs/dbraw/zinc/95/72/32/429957232.db2.gz UTVZSIKZFDZQKC-UXHICEINSA-N 2 1 318.505 2.938 20 0 DFADMP CC[N@@H+]1[C@H](C)CN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000639743102 429962815 /nfs/dbraw/zinc/96/28/15/429962815.db2.gz IZTFMKCYDJGCNS-ZIFCJYIRSA-N 2 1 301.478 2.675 20 0 DFADMP CC[NH+]1[C@H](C)CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000639743102 429962819 /nfs/dbraw/zinc/96/28/19/429962819.db2.gz IZTFMKCYDJGCNS-ZIFCJYIRSA-N 2 1 301.478 2.675 20 0 DFADMP CC[NH+]1[C@H](C)CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000639743102 429962825 /nfs/dbraw/zinc/96/28/25/429962825.db2.gz IZTFMKCYDJGCNS-ZIFCJYIRSA-N 2 1 301.478 2.675 20 0 DFADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760423 429971796 /nfs/dbraw/zinc/97/17/96/429971796.db2.gz XIVZFOAQIRWQGT-ZDUSSCGKSA-N 2 1 306.454 2.846 20 0 DFADMP C[C@@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760423 429971799 /nfs/dbraw/zinc/97/17/99/429971799.db2.gz XIVZFOAQIRWQGT-ZDUSSCGKSA-N 2 1 306.454 2.846 20 0 DFADMP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000639766028 429971955 /nfs/dbraw/zinc/97/19/55/429971955.db2.gz LGAYSEAPYKQRIP-ZWKOTPCHSA-N 2 1 306.425 2.592 20 0 DFADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@H]2CCCc3ccc(F)cc32)C1 ZINC000639766028 429971958 /nfs/dbraw/zinc/97/19/58/429971958.db2.gz LGAYSEAPYKQRIP-ZWKOTPCHSA-N 2 1 306.425 2.592 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3nnc(-c4ccccc4)o3)C2)CC1 ZINC000639760633 429972008 /nfs/dbraw/zinc/97/20/08/429972008.db2.gz YIBMXCJOKCUUQH-UHFFFAOYSA-N 2 1 312.417 2.654 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cncc(Br)c3)C2)CC1 ZINC000639758404 429972624 /nfs/dbraw/zinc/97/26/24/429972624.db2.gz SBAIKSDZUAVRFA-UHFFFAOYSA-N 2 1 324.266 2.762 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000573684597 429973220 /nfs/dbraw/zinc/97/32/20/429973220.db2.gz MBUFCRGQWIUPAF-UWVGGRQHSA-N 2 1 308.223 2.957 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791224 429983116 /nfs/dbraw/zinc/98/31/16/429983116.db2.gz JHNZZGIGHOTIHW-IRXDYDNUSA-N 2 1 310.445 2.903 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791224 429983118 /nfs/dbraw/zinc/98/31/18/429983118.db2.gz JHNZZGIGHOTIHW-IRXDYDNUSA-N 2 1 310.445 2.903 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791224 429983122 /nfs/dbraw/zinc/98/31/22/429983122.db2.gz JHNZZGIGHOTIHW-IRXDYDNUSA-N 2 1 310.445 2.903 20 0 DFADMP C[N@@H+](Cc1cccc2c1CCOC2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000639643158 429929540 /nfs/dbraw/zinc/92/95/40/429929540.db2.gz BMEPZIZXNUSJCZ-JWTNVVGKSA-N 2 1 300.446 2.816 20 0 DFADMP C[NH+](Cc1cccc2c1CCOC2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000639643158 429929546 /nfs/dbraw/zinc/92/95/46/429929546.db2.gz BMEPZIZXNUSJCZ-JWTNVVGKSA-N 2 1 300.446 2.816 20 0 DFADMP C[NH+](Cc1cccc2c1CCOC2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000639643158 429929549 /nfs/dbraw/zinc/92/95/49/429929549.db2.gz BMEPZIZXNUSJCZ-JWTNVVGKSA-N 2 1 300.446 2.816 20 0 DFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000573263363 429938763 /nfs/dbraw/zinc/93/87/63/429938763.db2.gz XGSQFNPERQOFRE-WMZOPIPTSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccccc1C)C(C)(C)C ZINC000573263363 429938766 /nfs/dbraw/zinc/93/87/66/429938766.db2.gz XGSQFNPERQOFRE-WMZOPIPTSA-N 2 1 322.493 2.611 20 0 DFADMP CN(C)c1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682006 429943891 /nfs/dbraw/zinc/94/38/91/429943891.db2.gz DOJCGFJZXIYNLW-UHFFFAOYSA-N 2 1 310.445 2.860 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCC2=O)cc1 ZINC000369447137 429945947 /nfs/dbraw/zinc/94/59/47/429945947.db2.gz ZZIBOPVFRDRGPM-GDBMZVCRSA-N 2 1 324.428 2.676 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639703711 429953694 /nfs/dbraw/zinc/95/36/94/429953694.db2.gz MFTVMXFCYGVJRH-UHFFFAOYSA-N 2 1 312.417 2.506 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@H]21 ZINC000574277296 430028255 /nfs/dbraw/zinc/02/82/55/430028255.db2.gz OHKRUMVPEJNLOB-RCCFBDPRSA-N 2 1 308.429 2.703 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000574322190 430031450 /nfs/dbraw/zinc/03/14/50/430031450.db2.gz RCCUCPXHOXVDTB-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574322190 430031454 /nfs/dbraw/zinc/03/14/54/430031454.db2.gz RCCUCPXHOXVDTB-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574322190 430031458 /nfs/dbraw/zinc/03/14/58/430031458.db2.gz RCCUCPXHOXVDTB-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000639988509 430045466 /nfs/dbraw/zinc/04/54/66/430045466.db2.gz UDKGKYGPGYRTPO-UHFFFAOYSA-N 2 1 321.509 2.729 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@H]1CN1CCC[C@H](n2ccnn2)CC1 ZINC000639815876 429990184 /nfs/dbraw/zinc/99/01/84/429990184.db2.gz AOXMCXIUYFZKJY-IRXDYDNUSA-N 2 1 305.470 2.568 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CCC[C@H](n2ccnn2)CC1 ZINC000639815876 429990187 /nfs/dbraw/zinc/99/01/87/429990187.db2.gz AOXMCXIUYFZKJY-IRXDYDNUSA-N 2 1 305.470 2.568 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1)C(C)C ZINC000573924465 429996847 /nfs/dbraw/zinc/99/68/47/429996847.db2.gz ULVAIMIOHYOTQY-LSDHHAIUSA-N 2 1 305.466 2.773 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000574032810 430003774 /nfs/dbraw/zinc/00/37/74/430003774.db2.gz WSFHGLZNPGHOIC-MJGOQNOKSA-N 2 1 304.478 2.834 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCC3(F)F)C2)CC1 ZINC000560218235 430026769 /nfs/dbraw/zinc/02/67/69/430026769.db2.gz PQPQVWHGKVRGHH-HOTGVXAUSA-N 2 1 315.452 2.522 20 0 DFADMP C[C@@H](C[NH+](C)C)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000561430171 430089327 /nfs/dbraw/zinc/08/93/27/430089327.db2.gz CAOVQLTYWGVEEX-JTQLQIEISA-N 2 1 308.223 2.781 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(Br)cn2)C1 ZINC000634732531 430093652 /nfs/dbraw/zinc/09/36/52/430093652.db2.gz IOBQFRZFCANMGX-GFCCVEGCSA-N 2 1 312.255 2.712 20 0 DFADMP COc1cccc([C@@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)OC)c1 ZINC000530212036 430103642 /nfs/dbraw/zinc/10/36/42/430103642.db2.gz QALQCBHVXCIGQO-YVEFUNNKSA-N 2 1 301.390 2.541 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH2+]C12CCC2 ZINC000530221389 430105949 /nfs/dbraw/zinc/10/59/49/430105949.db2.gz PYFLITYSXUTGNR-QRQLOZEOSA-N 2 1 313.489 2.771 20 0 DFADMP CC1(C)CCC[N@@H+](CCNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000562096669 430108316 /nfs/dbraw/zinc/10/83/16/430108316.db2.gz HXAZXOIEHAPHEC-UHFFFAOYSA-N 2 1 315.421 2.578 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000562101101 430108549 /nfs/dbraw/zinc/10/85/49/430108549.db2.gz ZGRJUBKWRAKALT-YPMHNXCESA-N 2 1 324.428 2.848 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NC[C@@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529714332 430056622 /nfs/dbraw/zinc/05/66/22/430056622.db2.gz HKYIAUTYAMOQRE-SFHVURJKSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C ZINC000640019828 430057758 /nfs/dbraw/zinc/05/77/58/430057758.db2.gz BJTPFCWLEACKGH-SYQHCUMBSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C ZINC000640019828 430057762 /nfs/dbraw/zinc/05/77/62/430057762.db2.gz BJTPFCWLEACKGH-SYQHCUMBSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C ZINC000640019828 430057766 /nfs/dbraw/zinc/05/77/66/430057766.db2.gz BJTPFCWLEACKGH-SYQHCUMBSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@H](CC(F)(F)F)[C@H]1C ZINC000640019828 430057769 /nfs/dbraw/zinc/05/77/69/430057769.db2.gz BJTPFCWLEACKGH-SYQHCUMBSA-N 2 1 310.404 2.739 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCOC(C)(C)C3)CCCC2)CC1 ZINC000634680463 430075740 /nfs/dbraw/zinc/07/57/40/430075740.db2.gz SXNUOITXFCMTPG-MRXNPFEDSA-N 2 1 324.509 2.957 20 0 DFADMP C[C@@H]1CC[C@H](C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)O1 ZINC000634688427 430079026 /nfs/dbraw/zinc/07/90/26/430079026.db2.gz RYLORAVQKULYMX-KFWWJZLASA-N 2 1 321.490 2.655 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)O1 ZINC000634688427 430079030 /nfs/dbraw/zinc/07/90/30/430079030.db2.gz RYLORAVQKULYMX-KFWWJZLASA-N 2 1 321.490 2.655 20 0 DFADMP O[C@]1(C[NH2+]CCc2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000634698569 430082804 /nfs/dbraw/zinc/08/28/04/430082804.db2.gz QDCJUUYNFSXNNI-SFHVURJKSA-N 2 1 316.470 2.517 20 0 DFADMP O[C@]1(C[NH2+]CCc2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634698569 430082808 /nfs/dbraw/zinc/08/28/08/430082808.db2.gz QDCJUUYNFSXNNI-SFHVURJKSA-N 2 1 316.470 2.517 20 0 DFADMP O[C@@]1(C[NH2+]CCC2=CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634709744 430086104 /nfs/dbraw/zinc/08/61/04/430086104.db2.gz NPVDCNRMOSKYPU-LJQANCHMSA-N 2 1 300.446 2.713 20 0 DFADMP O[C@@]1(C[NH2+]CCC2=CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709744 430086108 /nfs/dbraw/zinc/08/61/08/430086108.db2.gz NPVDCNRMOSKYPU-LJQANCHMSA-N 2 1 300.446 2.713 20 0 DFADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000637885552 430161294 /nfs/dbraw/zinc/16/12/94/430161294.db2.gz BBGVSCSSMWZMMV-QGZVFWFLSA-N 2 1 301.478 2.929 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000637885552 430161299 /nfs/dbraw/zinc/16/12/99/430161299.db2.gz BBGVSCSSMWZMMV-QGZVFWFLSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@@H]1CCCN(c2cc[nH+]c(N3CCCCC3)n2)[C@@H]1CCC[NH3+] ZINC000634811733 430119624 /nfs/dbraw/zinc/11/96/24/430119624.db2.gz ONHXLQSWJDSTNN-HZPDHXFCSA-N 2 1 317.481 2.811 20 0 DFADMP C[NH+]1CCC([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CC1 ZINC000161512994 277031121 /nfs/dbraw/zinc/03/11/21/277031121.db2.gz GSIOJCZWMUDUOT-UHFFFAOYSA-N 2 1 313.445 2.503 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289479856 277043430 /nfs/dbraw/zinc/04/34/30/277043430.db2.gz NZTXTLSOUQKHTP-MOPGFXCFSA-N 2 1 313.489 2.998 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289479856 277043431 /nfs/dbraw/zinc/04/34/31/277043431.db2.gz NZTXTLSOUQKHTP-MOPGFXCFSA-N 2 1 313.489 2.998 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289479856 277043432 /nfs/dbraw/zinc/04/34/32/277043432.db2.gz NZTXTLSOUQKHTP-MOPGFXCFSA-N 2 1 313.489 2.998 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ncccc3O)C2)CC1 ZINC000581217045 430187778 /nfs/dbraw/zinc/18/77/78/430187778.db2.gz CIPDCGHAOLYPGT-MRXNPFEDSA-N 2 1 303.450 2.731 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ncccc3O)C2)CC1 ZINC000581217045 430187783 /nfs/dbraw/zinc/18/77/83/430187783.db2.gz CIPDCGHAOLYPGT-MRXNPFEDSA-N 2 1 303.450 2.731 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC000634995148 430187956 /nfs/dbraw/zinc/18/79/56/430187956.db2.gz WOSUZNSQDNLASU-MAUKXSAKSA-N 2 1 308.429 2.515 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC000634995148 430187960 /nfs/dbraw/zinc/18/79/60/430187960.db2.gz WOSUZNSQDNLASU-MAUKXSAKSA-N 2 1 308.429 2.515 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000635000535 430188695 /nfs/dbraw/zinc/18/86/95/430188695.db2.gz QBWPDVJZFUYAKP-WCQYABFASA-N 2 1 314.376 2.713 20 0 DFADMP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000634997989 430189392 /nfs/dbraw/zinc/18/93/92/430189392.db2.gz XYGUBNXQQSGIFE-GHJWDPDVSA-N 2 1 314.832 2.880 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(C(C)(C)C)C1=O ZINC000640534068 430191096 /nfs/dbraw/zinc/19/10/96/430191096.db2.gz KLOVYHUHTOGVQI-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000635003828 430191768 /nfs/dbraw/zinc/19/17/68/430191768.db2.gz LYSPIOKNCOGVFH-IZBJGVDFSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000635003828 430191772 /nfs/dbraw/zinc/19/17/72/430191772.db2.gz LYSPIOKNCOGVFH-IZBJGVDFSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH2+]CC[C@H]1C ZINC000635003828 430191775 /nfs/dbraw/zinc/19/17/75/430191775.db2.gz LYSPIOKNCOGVFH-IZBJGVDFSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@H](C(=O)N1CCC(C)CC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532546 430192307 /nfs/dbraw/zinc/19/23/07/430192307.db2.gz SYCJDRAZAFEPGW-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](Cc3ccc(=O)[nH]c3)C2)CC1 ZINC000637978865 430192903 /nfs/dbraw/zinc/19/29/03/430192903.db2.gz QBDBFFHFEVFPHC-QGZVFWFLSA-N 2 1 303.450 2.731 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](Cc3ccc(=O)[nH]c3)C2)CC1 ZINC000637978865 430192905 /nfs/dbraw/zinc/19/29/05/430192905.db2.gz QBDBFFHFEVFPHC-QGZVFWFLSA-N 2 1 303.450 2.731 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc2c1CC[NH2+]C2 ZINC000635006095 430192935 /nfs/dbraw/zinc/19/29/35/430192935.db2.gz XLSAUZYLLUMSCT-QAPCUYQASA-N 2 1 301.478 2.733 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004983 430192953 /nfs/dbraw/zinc/19/29/53/430192953.db2.gz RTWMPFIFTCPDMP-DZUNGVIMSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004983 430192955 /nfs/dbraw/zinc/19/29/55/430192955.db2.gz RTWMPFIFTCPDMP-DZUNGVIMSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004983 430192958 /nfs/dbraw/zinc/19/29/58/430192958.db2.gz RTWMPFIFTCPDMP-DZUNGVIMSA-N 3 1 313.489 2.627 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000370160086 277162492 /nfs/dbraw/zinc/16/24/92/277162492.db2.gz FNLRGJMJXBCGQC-UKRRQHHQSA-N 2 1 306.479 2.751 20 0 DFADMP [NH3+][C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000635008159 430196666 /nfs/dbraw/zinc/19/66/66/430196666.db2.gz QWBZARKLTQDMCX-IYWMVGAKSA-N 3 1 315.505 2.847 20 0 DFADMP C[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000635014511 430197351 /nfs/dbraw/zinc/19/73/51/430197351.db2.gz WJVFICHVQTXUSG-WCQYABFASA-N 2 1 305.809 2.574 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CCN(CC(C)(C)Oc2ccccc2)CC1 ZINC000638047746 430219814 /nfs/dbraw/zinc/21/98/14/430219814.db2.gz LIKMKGIFLBGEGA-MRXNPFEDSA-N 2 1 320.477 2.621 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638047746 430219819 /nfs/dbraw/zinc/21/98/19/430219819.db2.gz LIKMKGIFLBGEGA-MRXNPFEDSA-N 2 1 320.477 2.621 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638047746 430219824 /nfs/dbraw/zinc/21/98/24/430219824.db2.gz LIKMKGIFLBGEGA-MRXNPFEDSA-N 2 1 320.477 2.621 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000581575142 430220413 /nfs/dbraw/zinc/22/04/13/430220413.db2.gz DFAFNMGMKLNLBC-NVXWUHKLSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000581575142 430220417 /nfs/dbraw/zinc/22/04/17/430220417.db2.gz DFAFNMGMKLNLBC-NVXWUHKLSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000581575142 430220420 /nfs/dbraw/zinc/22/04/20/430220420.db2.gz DFAFNMGMKLNLBC-NVXWUHKLSA-N 2 1 318.461 2.928 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000638061982 430224350 /nfs/dbraw/zinc/22/43/50/430224350.db2.gz BUKNDYVJTWSQRV-CABCVRRESA-N 2 1 303.450 2.998 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1CCC(=O)Nc2ccccc21 ZINC000542494874 430212635 /nfs/dbraw/zinc/21/26/35/430212635.db2.gz OUZFZGNLIQCUBS-XJKSGUPXSA-N 2 1 312.417 2.891 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC000542507786 430212708 /nfs/dbraw/zinc/21/27/08/430212708.db2.gz MCRBUZNSYJJPQL-CTWPCTMYSA-N 2 1 307.526 2.913 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000542494860 430212955 /nfs/dbraw/zinc/21/29/55/430212955.db2.gz OUZFZGNLIQCUBS-BBRMVZONSA-N 2 1 312.417 2.891 20 0 DFADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(Cl)cc1O ZINC000638028921 430212980 /nfs/dbraw/zinc/21/29/80/430212980.db2.gz KPKMLVZIVUVJKZ-UHFFFAOYSA-N 2 1 312.841 2.828 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000542484975 430213097 /nfs/dbraw/zinc/21/30/97/430213097.db2.gz CNOWGCBILMJPCX-QAPCUYQASA-N 2 1 314.433 2.559 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc(C)c1OC(F)F ZINC000566230291 430249195 /nfs/dbraw/zinc/24/91/95/430249195.db2.gz ZSBVZFQEVCPNNI-HUUCEWRRSA-N 2 1 310.388 2.946 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc(C)c1OC(F)F ZINC000566230290 430250471 /nfs/dbraw/zinc/25/04/71/430250471.db2.gz ZSBVZFQEVCPNNI-GJZGRUSLSA-N 2 1 310.388 2.946 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CC[NH+]2C2CCCC2)C1 ZINC000635326081 430255238 /nfs/dbraw/zinc/25/52/38/430255238.db2.gz UFRZUOCYGXLTBQ-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635326081 430255242 /nfs/dbraw/zinc/25/52/42/430255242.db2.gz UFRZUOCYGXLTBQ-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635326081 430255244 /nfs/dbraw/zinc/25/52/44/430255244.db2.gz UFRZUOCYGXLTBQ-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638251443 430285138 /nfs/dbraw/zinc/28/51/38/430285138.db2.gz HVUNJXUWBRLWSD-BBRMVZONSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@@H](CCC[NH3+])NC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638251443 430285143 /nfs/dbraw/zinc/28/51/43/430285143.db2.gz HVUNJXUWBRLWSD-BBRMVZONSA-N 2 1 323.868 2.548 20 0 DFADMP COc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000638183611 430264809 /nfs/dbraw/zinc/26/48/09/430264809.db2.gz VGEUBPCFWIXZFU-KVSKMBFKSA-N 2 1 318.461 2.687 20 0 DFADMP CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582061938 430265168 /nfs/dbraw/zinc/26/51/68/430265168.db2.gz GZYOCXHTDVCKBX-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582061938 430265176 /nfs/dbraw/zinc/26/51/76/430265176.db2.gz GZYOCXHTDVCKBX-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP COc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000638183610 430265447 /nfs/dbraw/zinc/26/54/47/430265447.db2.gz VGEUBPCFWIXZFU-HHXXYDBFSA-N 2 1 318.461 2.687 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635399009 430267361 /nfs/dbraw/zinc/26/73/61/430267361.db2.gz DBFWSRHOZMBJFU-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H](Cc1ccsc1)[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000544008752 430270655 /nfs/dbraw/zinc/27/06/55/430270655.db2.gz PBZHCQUDTIPNDL-MXASKKJJSA-N 2 1 308.491 2.863 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC000635409810 430273096 /nfs/dbraw/zinc/27/30/96/430273096.db2.gz WAZTYQWEXCKXNY-UHFFFAOYSA-N 2 1 319.493 2.732 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC000635409810 430273099 /nfs/dbraw/zinc/27/30/99/430273099.db2.gz WAZTYQWEXCKXNY-UHFFFAOYSA-N 2 1 319.493 2.732 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC000635409810 430273103 /nfs/dbraw/zinc/27/31/03/430273103.db2.gz WAZTYQWEXCKXNY-UHFFFAOYSA-N 2 1 319.493 2.732 20 0 DFADMP C[C@@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000542834666 430229006 /nfs/dbraw/zinc/22/90/06/430229006.db2.gz SJVOZGCFDJLRJE-NXWXRZEISA-N 2 1 302.462 2.648 20 0 DFADMP C[N@@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC000635215570 430229279 /nfs/dbraw/zinc/22/92/79/430229279.db2.gz BVRVJWXZTRYKAH-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H](C)c3c[nH+]ccc3N)CC2)n1 ZINC000581800602 430240715 /nfs/dbraw/zinc/24/07/15/430240715.db2.gz SVZKUVPWPGXNIZ-PKSQDBQZSA-N 2 1 301.394 2.563 20 0 DFADMP C[NH+](C)C1(CNc2cc[nH+]c(N3CCCCC3)n2)CCCCC1 ZINC000544687150 430290713 /nfs/dbraw/zinc/29/07/13/430290713.db2.gz NTIMUOUYSSLRLP-UHFFFAOYSA-N 2 1 317.481 3.143 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582367784 430293468 /nfs/dbraw/zinc/29/34/68/430293468.db2.gz DOVZKLOUJBMDNC-CRAIPNDOSA-N 2 1 308.441 2.708 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582367784 430293472 /nfs/dbraw/zinc/29/34/72/430293472.db2.gz DOVZKLOUJBMDNC-CRAIPNDOSA-N 2 1 308.441 2.708 20 0 DFADMP c1cn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638298398 430296463 /nfs/dbraw/zinc/29/64/63/430296463.db2.gz OYXDTVNQGZGLNS-MJGOQNOKSA-N 2 1 310.445 2.841 20 0 DFADMP c1cn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638298398 430296468 /nfs/dbraw/zinc/29/64/68/430296468.db2.gz OYXDTVNQGZGLNS-MJGOQNOKSA-N 2 1 310.445 2.841 20 0 DFADMP C[C@@H](c1ccc2c(c1)CCC(=O)N2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000582414672 430296635 /nfs/dbraw/zinc/29/66/35/430296635.db2.gz VNFLVGFUIRFWHO-FHSNZYRGSA-N 2 1 301.434 2.549 20 0 DFADMP CC[C@H](C)[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)OC ZINC000638304349 430298243 /nfs/dbraw/zinc/29/82/43/430298243.db2.gz FWOAHCQRRZACHL-QFBILLFUSA-N 2 1 320.477 2.670 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000638304267 430299517 /nfs/dbraw/zinc/29/95/17/430299517.db2.gz ZHHGNMFPPLMPHB-WMLDXEAASA-N 2 1 306.475 2.502 20 0 DFADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC000545192422 430303917 /nfs/dbraw/zinc/30/39/17/430303917.db2.gz FHVHJPXTJPFUMC-HZPDHXFCSA-N 2 1 320.481 2.557 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000638328176 430305713 /nfs/dbraw/zinc/30/57/13/430305713.db2.gz FWTQMWCYCZUKNB-MRXNPFEDSA-N 2 1 314.433 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638336101 430308807 /nfs/dbraw/zinc/30/88/07/430308807.db2.gz YEPLVBBZYVTSMQ-AEFFLSMTSA-N 2 1 312.461 2.944 20 0 DFADMP C[C@H]1CCC[C@@H]1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000545300637 430314369 /nfs/dbraw/zinc/31/43/69/430314369.db2.gz FASSAMLHJDWIKI-LSDHHAIUSA-N 2 1 316.449 2.598 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@]12CCCO2 ZINC000638366291 430318728 /nfs/dbraw/zinc/31/87/28/430318728.db2.gz MZBYCPBDSBNWQG-INDMIFKZSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000638365938 430318935 /nfs/dbraw/zinc/31/89/35/430318935.db2.gz LRJCPSKCSDONIX-GOSISDBHSA-N 2 1 323.440 2.914 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000638367025 430318976 /nfs/dbraw/zinc/31/89/76/430318976.db2.gz RQGJMPKPOLJOML-BRWVUGGUSA-N 2 1 309.498 2.535 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](CC(C)C)n2ccnc2)[C@H](C)C1 ZINC000635603095 430321337 /nfs/dbraw/zinc/32/13/37/430321337.db2.gz LXOZJCIIOYURCL-IXDOHACOSA-N 2 1 320.481 2.659 20 0 DFADMP CCCc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000545867501 430329737 /nfs/dbraw/zinc/32/97/37/430329737.db2.gz WHAUXYFTSKYCCA-OALUTQOASA-N 2 1 304.478 2.992 20 0 DFADMP CCCc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000545867501 430329740 /nfs/dbraw/zinc/32/97/40/430329740.db2.gz WHAUXYFTSKYCCA-OALUTQOASA-N 2 1 304.478 2.992 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545933555 430335070 /nfs/dbraw/zinc/33/50/70/430335070.db2.gz YXBDBEWLBCJSCC-HUUCEWRRSA-N 2 1 322.415 2.886 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545933555 430335075 /nfs/dbraw/zinc/33/50/75/430335075.db2.gz YXBDBEWLBCJSCC-HUUCEWRRSA-N 2 1 322.415 2.886 20 0 DFADMP CCC[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)OC ZINC000638421413 430336935 /nfs/dbraw/zinc/33/69/35/430336935.db2.gz VFKHAYDIFPIGEL-VQIMIIECSA-N 2 1 320.477 2.812 20 0 DFADMP CC[C@@](C)(C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)OC ZINC000638420494 430337113 /nfs/dbraw/zinc/33/71/13/430337113.db2.gz OFXCASMIDXYNEE-APWZRJJASA-N 2 1 320.477 2.812 20 0 DFADMP CC[C@@](C)(C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)OC ZINC000638420494 430337118 /nfs/dbraw/zinc/33/71/18/430337118.db2.gz OFXCASMIDXYNEE-APWZRJJASA-N 2 1 320.477 2.812 20 0 DFADMP CC[C@](C)(C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)OC ZINC000638420500 430337206 /nfs/dbraw/zinc/33/72/06/430337206.db2.gz OFXCASMIDXYNEE-VQIMIIECSA-N 2 1 320.477 2.812 20 0 DFADMP CC[C@](C)(C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)OC ZINC000638420500 430337211 /nfs/dbraw/zinc/33/72/11/430337211.db2.gz OFXCASMIDXYNEE-VQIMIIECSA-N 2 1 320.477 2.812 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000568988884 430411663 /nfs/dbraw/zinc/41/16/63/430411663.db2.gz YNNPHJJIGXFDQJ-JKSUJJTKSA-N 2 1 314.477 2.541 20 0 DFADMP CO[C@H](C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000638701025 430412369 /nfs/dbraw/zinc/41/23/69/430412369.db2.gz NDBMVZPHPWPLRU-IPQPSQTFSA-N 2 1 302.462 2.849 20 0 DFADMP Cc1[nH+]ccn1CCCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547733484 430416186 /nfs/dbraw/zinc/41/61/86/430416186.db2.gz GINABSHSFHWIDT-UHFFFAOYSA-N 2 1 320.481 2.743 20 0 DFADMP Cc1[nH+]ccn1CCCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000547733484 430416190 /nfs/dbraw/zinc/41/61/90/430416190.db2.gz GINABSHSFHWIDT-UHFFFAOYSA-N 2 1 320.481 2.743 20 0 DFADMP CC(C)C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000547732868 430416458 /nfs/dbraw/zinc/41/64/58/430416458.db2.gz IPPHJXPMFZLRJN-QGZVFWFLSA-N 2 1 311.514 2.734 20 0 DFADMP CCOC1CC(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)C1 ZINC000638522134 430366101 /nfs/dbraw/zinc/36/61/01/430366101.db2.gz XOUGKMUZELOJQL-XEVCZEQESA-N 2 1 316.489 2.956 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000635753788 430366759 /nfs/dbraw/zinc/36/67/59/430366759.db2.gz SMERLBTWTUDZHS-UHFFFAOYSA-N 2 1 320.481 2.587 20 0 DFADMP CC[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000568541886 430369111 /nfs/dbraw/zinc/36/91/11/430369111.db2.gz SHADMNWVZJCUKI-PBHICJAKSA-N 2 1 304.434 2.856 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000568619774 430375777 /nfs/dbraw/zinc/37/57/77/430375777.db2.gz IGPHMVMHLQRCHZ-QAPCUYQASA-N 2 1 301.434 2.726 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](OC)C2CCOCC2)c1 ZINC000638563178 430376758 /nfs/dbraw/zinc/37/67/58/430376758.db2.gz IXNPHUTYFGWONM-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC000568618482 430376795 /nfs/dbraw/zinc/37/67/95/430376795.db2.gz JMUIGMSPNJQYCF-WOJBJXKFSA-N 2 1 322.452 2.599 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000638563978 430376849 /nfs/dbraw/zinc/37/68/49/430376849.db2.gz UPZGHFJPUUUTIE-UHFFFAOYSA-N 2 1 300.450 2.594 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc(OC)s2)c1 ZINC000638563588 430376944 /nfs/dbraw/zinc/37/69/44/430376944.db2.gz PFAVRWHZGDLTME-UHFFFAOYSA-N 2 1 305.447 2.893 20 0 DFADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)COC1 ZINC000638595678 430384371 /nfs/dbraw/zinc/38/43/71/430384371.db2.gz VATCICGJIIZEPW-FUHWJXTLSA-N 2 1 300.446 2.981 20 0 DFADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)COC1 ZINC000638595678 430384375 /nfs/dbraw/zinc/38/43/75/430384375.db2.gz VATCICGJIIZEPW-FUHWJXTLSA-N 2 1 300.446 2.981 20 0 DFADMP CO[C@]1(C[NH2+]C2CC[NH+]([C@H](C)c3ccccc3)CC2)CCOC1 ZINC000638613624 430390664 /nfs/dbraw/zinc/39/06/64/430390664.db2.gz ZDPMMRSZPVKJIN-APWZRJJASA-N 2 1 318.461 2.607 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1 ZINC000583380249 430390638 /nfs/dbraw/zinc/39/06/38/430390638.db2.gz UZIKDVGFJRSOKG-QGZVFWFLSA-N 2 1 317.477 2.729 20 0 DFADMP OC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000638619755 430392068 /nfs/dbraw/zinc/39/20/68/430392068.db2.gz NRXIRKWZDPNEHP-FUHWJXTLSA-N 2 1 300.446 2.859 20 0 DFADMP OC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000638619755 430392071 /nfs/dbraw/zinc/39/20/71/430392071.db2.gz NRXIRKWZDPNEHP-FUHWJXTLSA-N 2 1 300.446 2.859 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000568857646 430398995 /nfs/dbraw/zinc/39/89/95/430398995.db2.gz KQPMJWNZHWADRM-KRWDZBQOSA-N 2 1 321.852 2.818 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)CC[NH+](C)C2CCCCC2)CC1 ZINC000548060400 430444259 /nfs/dbraw/zinc/44/42/59/430444259.db2.gz ZIYYBUIFRLGDTG-UHFFFAOYSA-N 2 1 309.498 2.584 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000548060400 430444264 /nfs/dbraw/zinc/44/42/64/430444264.db2.gz ZIYYBUIFRLGDTG-UHFFFAOYSA-N 2 1 309.498 2.584 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548060400 430444269 /nfs/dbraw/zinc/44/42/69/430444269.db2.gz ZIYYBUIFRLGDTG-UHFFFAOYSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641708497 430448639 /nfs/dbraw/zinc/44/86/39/430448639.db2.gz RVGSGDMVCAATDE-OKILXGFUSA-N 2 1 316.449 2.726 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641708497 430448644 /nfs/dbraw/zinc/44/86/44/430448644.db2.gz RVGSGDMVCAATDE-OKILXGFUSA-N 2 1 316.449 2.726 20 0 DFADMP Cc1cc(N[C@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153559 430450844 /nfs/dbraw/zinc/45/08/44/430450844.db2.gz AGYBOMPLEZKKKQ-APWZRJJASA-N 2 1 311.429 2.513 20 0 DFADMP Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153559 430450848 /nfs/dbraw/zinc/45/08/48/430450848.db2.gz AGYBOMPLEZKKKQ-APWZRJJASA-N 2 1 311.429 2.513 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000584023394 430451802 /nfs/dbraw/zinc/45/18/02/430451802.db2.gz LMFFYLPHIKVQBO-NSHDSACASA-N 2 1 302.340 2.842 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000584023394 430451806 /nfs/dbraw/zinc/45/18/06/430451806.db2.gz LMFFYLPHIKVQBO-NSHDSACASA-N 2 1 302.340 2.842 20 0 DFADMP C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155710 430453214 /nfs/dbraw/zinc/45/32/14/430453214.db2.gz CIFXJNPMUVZGDX-QWFCFKBJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H](NCC[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155710 430453217 /nfs/dbraw/zinc/45/32/17/430453217.db2.gz CIFXJNPMUVZGDX-QWFCFKBJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H](NCC[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155710 430453220 /nfs/dbraw/zinc/45/32/20/430453220.db2.gz CIFXJNPMUVZGDX-QWFCFKBJSA-N 2 1 315.505 2.828 20 0 DFADMP C[N@H+]1CCC[C@H](CNCc2ccncc2N)[C@H]1c1cccs1 ZINC000641728838 430454044 /nfs/dbraw/zinc/45/40/44/430454044.db2.gz ILARLURPKHGJGL-PBHICJAKSA-N 2 1 316.474 2.898 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)[C@H]1c1cccs1 ZINC000641728838 430454049 /nfs/dbraw/zinc/45/40/49/430454049.db2.gz ILARLURPKHGJGL-PBHICJAKSA-N 2 1 316.474 2.898 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)[C@H]1c1cccs1 ZINC000641728838 430454052 /nfs/dbraw/zinc/45/40/52/430454052.db2.gz ILARLURPKHGJGL-PBHICJAKSA-N 2 1 316.474 2.898 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000569507124 430461592 /nfs/dbraw/zinc/46/15/92/430461592.db2.gz BITSWJTWNDQLTH-HJOIGYKYSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CS[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000638873883 430463511 /nfs/dbraw/zinc/46/35/11/430463511.db2.gz MTRYYBFLKAACEP-DOMZBBRYSA-N 2 1 306.479 2.546 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CS[C@H](C)C3)CC2)nc(C)[nH+]1 ZINC000638873884 430464232 /nfs/dbraw/zinc/46/42/32/430464232.db2.gz MTRYYBFLKAACEP-IUODEOHRSA-N 2 1 306.479 2.546 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180513 430466916 /nfs/dbraw/zinc/46/69/16/430466916.db2.gz QVXAPQOMHXNQIZ-AZUAARDMSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+](C)C[C@H](O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180513 430466920 /nfs/dbraw/zinc/46/69/20/430466920.db2.gz QVXAPQOMHXNQIZ-AZUAARDMSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180513 430466927 /nfs/dbraw/zinc/46/69/27/430466927.db2.gz QVXAPQOMHXNQIZ-AZUAARDMSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180513 430466930 /nfs/dbraw/zinc/46/69/30/430466930.db2.gz QVXAPQOMHXNQIZ-AZUAARDMSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180513 430466933 /nfs/dbraw/zinc/46/69/33/430466933.db2.gz QVXAPQOMHXNQIZ-AZUAARDMSA-N 2 1 316.489 2.669 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180513 430466936 /nfs/dbraw/zinc/46/69/36/430466936.db2.gz QVXAPQOMHXNQIZ-AZUAARDMSA-N 2 1 316.489 2.669 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180513 430466939 /nfs/dbraw/zinc/46/69/39/430466939.db2.gz QVXAPQOMHXNQIZ-AZUAARDMSA-N 2 1 316.489 2.669 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000569680107 430476459 /nfs/dbraw/zinc/47/64/59/430476459.db2.gz XWERFESBYZJTKJ-AEFFLSMTSA-N 2 1 317.477 2.892 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000548454426 430476850 /nfs/dbraw/zinc/47/68/50/430476850.db2.gz OSONWPKFQILYKT-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803401 430477163 /nfs/dbraw/zinc/47/71/63/430477163.db2.gz FKJFINSTVFEOCD-RCBQFDQVSA-N 2 1 303.450 2.852 20 0 DFADMP CC(C)(C)c1ccc(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641803145 430477306 /nfs/dbraw/zinc/47/73/06/430477306.db2.gz ALGWITQGHAWNHD-CABCVRRESA-N 2 1 303.450 2.638 20 0 DFADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803368 430477315 /nfs/dbraw/zinc/47/73/15/430477315.db2.gz CCJNULLZWDYFMA-JKSUJKDBSA-N 2 1 317.477 2.529 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641802880 430477335 /nfs/dbraw/zinc/47/73/35/430477335.db2.gz BSMXIWTXKQNUSZ-CLROSIBMSA-N 2 1 317.477 2.530 20 0 DFADMP CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806029 430477687 /nfs/dbraw/zinc/47/76/87/430477687.db2.gz QBISGDZRUJLVEE-HUUCEWRRSA-N 2 1 303.450 2.638 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)c(C)c1 ZINC000641804311 430478195 /nfs/dbraw/zinc/47/81/95/430478195.db2.gz HLXHXISVOUVKSO-SOUVJXGZSA-N 2 1 303.450 2.654 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000641806944 430478378 /nfs/dbraw/zinc/47/83/78/430478378.db2.gz SRDPEKPALPJIHS-NEPJUHHUSA-N 2 1 316.232 2.647 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000641805724 430478700 /nfs/dbraw/zinc/47/87/00/430478700.db2.gz OFNUQBSEHOSCIC-NZBPQXDJSA-N 2 1 321.490 2.516 20 0 DFADMP Cc1ccc2cc[nH+]c(N3C[C@@H](C[NH3+])C4(C3)CCOCC4)c2c1 ZINC000583753334 430425703 /nfs/dbraw/zinc/42/57/03/430425703.db2.gz WLGMJDZUZNGOJX-MRXNPFEDSA-N 2 1 311.429 2.735 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000641823619 430483335 /nfs/dbraw/zinc/48/33/35/430483335.db2.gz STXDVZSMBVDLAG-XHSDSOJGSA-N 2 1 321.465 2.654 20 0 DFADMP CC(C)[NH+](CCCC[N@H+](C(C)C)[C@H]1CCOC1)[C@H]1CCOC1 ZINC000569755222 430483704 /nfs/dbraw/zinc/48/37/04/430483704.db2.gz VQNMWASAHWKYSE-ROUUACIJSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969775 430484129 /nfs/dbraw/zinc/48/41/29/430484129.db2.gz IOQLTGDTESUQMR-JYJNAYRXSA-N 2 1 319.497 2.644 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)o1 ZINC000569919118 430496804 /nfs/dbraw/zinc/49/68/04/430496804.db2.gz JPMXVZCQDKGYSY-IKGGRYGDSA-N 2 1 305.466 2.703 20 0 DFADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000569909082 430496941 /nfs/dbraw/zinc/49/69/41/430496941.db2.gz LBBXNURFDIONOW-GDBMZVCRSA-N 2 1 305.470 2.590 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000636253108 430497089 /nfs/dbraw/zinc/49/70/89/430497089.db2.gz GNXDCNZRBFGMBM-INIZCTEOSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000636253108 430497093 /nfs/dbraw/zinc/49/70/93/430497093.db2.gz GNXDCNZRBFGMBM-INIZCTEOSA-N 2 1 318.465 2.530 20 0 DFADMP c1cc(CCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000570092971 430513918 /nfs/dbraw/zinc/51/39/18/430513918.db2.gz BZDWEXXQPQHLIK-LJQANCHMSA-N 2 1 300.446 2.630 20 0 DFADMP CO[C@@H](C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081709 430516186 /nfs/dbraw/zinc/51/61/86/430516186.db2.gz SYOFXKHXVNHYOA-MOPGFXCFSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@@H](C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081709 430516190 /nfs/dbraw/zinc/51/61/90/430516190.db2.gz SYOFXKHXVNHYOA-MOPGFXCFSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@@H](C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081709 430516194 /nfs/dbraw/zinc/51/61/94/430516194.db2.gz SYOFXKHXVNHYOA-MOPGFXCFSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@@H](C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081709 430516197 /nfs/dbraw/zinc/51/61/97/430516197.db2.gz SYOFXKHXVNHYOA-MOPGFXCFSA-N 2 1 317.477 2.793 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000570176983 430522403 /nfs/dbraw/zinc/52/24/03/430522403.db2.gz KHAICYOELRTPLM-SJLPKXTDSA-N 2 1 310.445 2.867 20 0 DFADMP C[C@@H]1C[C@@H](Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000639114627 430529690 /nfs/dbraw/zinc/52/96/90/430529690.db2.gz GMEZFRCLRCFAJY-JKIFEVAISA-N 2 1 303.450 2.966 20 0 DFADMP C[N@@H+](CCCO)C1CCN(c2nccc3cc(F)ccc32)CC1 ZINC000570326741 430533543 /nfs/dbraw/zinc/53/35/43/430533543.db2.gz FJFLHOWVIZBXLN-UHFFFAOYSA-N 2 1 317.408 2.657 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000643081903 430549063 /nfs/dbraw/zinc/54/90/63/430549063.db2.gz ZELLELXFAQLTLE-OAHLLOKOSA-N 2 1 316.367 2.688 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000643081903 430549066 /nfs/dbraw/zinc/54/90/66/430549066.db2.gz ZELLELXFAQLTLE-OAHLLOKOSA-N 2 1 316.367 2.688 20 0 DFADMP COc1ccc(COCC[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000643078011 430549148 /nfs/dbraw/zinc/54/91/48/430549148.db2.gz OKQDABDRNDOAQV-SFHVURJKSA-N 2 1 306.450 2.709 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCCc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000643081902 430549357 /nfs/dbraw/zinc/54/93/57/430549357.db2.gz ZELLELXFAQLTLE-HNNXBMFYSA-N 2 1 316.367 2.688 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCc2ccc(C(F)(F)F)cc2)CCCO1 ZINC000643081902 430549359 /nfs/dbraw/zinc/54/93/59/430549359.db2.gz ZELLELXFAQLTLE-HNNXBMFYSA-N 2 1 316.367 2.688 20 0 DFADMP Cc1ccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c(F)c1 ZINC000639172582 430554127 /nfs/dbraw/zinc/55/41/27/430554127.db2.gz MXBGKKVXASIMMY-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000639172582 430554131 /nfs/dbraw/zinc/55/41/31/430554131.db2.gz MXBGKKVXASIMMY-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000639172582 430554132 /nfs/dbraw/zinc/55/41/32/430554132.db2.gz MXBGKKVXASIMMY-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP CC(C)C1(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)CC1 ZINC000639175267 430556321 /nfs/dbraw/zinc/55/63/21/430556321.db2.gz KMKSISPUNHOMGP-JWTNVVGKSA-N 2 1 305.510 2.665 20 0 DFADMP COc1ccc(COCC[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000643441039 430601121 /nfs/dbraw/zinc/60/11/21/430601121.db2.gz OBLNZWQBNJCDJX-ZOBUZTSGSA-N 2 1 306.450 2.517 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000639192029 430564142 /nfs/dbraw/zinc/56/41/42/430564142.db2.gz OEDANHCKSZBFOM-VBNZEHGJSA-N 2 1 303.450 2.983 20 0 DFADMP C[C@@H](CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000639233939 430581600 /nfs/dbraw/zinc/58/16/00/430581600.db2.gz YZRAWBIDCTYJJM-VDZJLULYSA-N 2 1 301.478 2.894 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000570843761 430582956 /nfs/dbraw/zinc/58/29/56/430582956.db2.gz STTWEGUBBFRJRO-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000570843761 430582958 /nfs/dbraw/zinc/58/29/58/430582958.db2.gz STTWEGUBBFRJRO-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP COc1cc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(Cl)cc1O ZINC000639257765 430589228 /nfs/dbraw/zinc/58/92/28/430589228.db2.gz RFAVDHADBNJAQL-LBPRGKRZSA-N 2 1 312.841 2.876 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000570931099 430590451 /nfs/dbraw/zinc/59/04/51/430590451.db2.gz DDNYHRYQDZRNLZ-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639271560 430594852 /nfs/dbraw/zinc/59/48/52/430594852.db2.gz NBIDRHGWRZSVFU-RWQQGDIJSA-N 2 1 300.446 2.858 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639271560 430594855 /nfs/dbraw/zinc/59/48/55/430594855.db2.gz NBIDRHGWRZSVFU-RWQQGDIJSA-N 2 1 300.446 2.858 20 0 DFADMP CCOC1CC(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000639285715 430598009 /nfs/dbraw/zinc/59/80/09/430598009.db2.gz JSARNXMJIIYACT-IOXAMRCBSA-N 2 1 302.462 2.737 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550793799 430544650 /nfs/dbraw/zinc/54/46/50/430544650.db2.gz AOTVYMSOUQAZQD-XWTMOSNGSA-N 2 1 316.445 2.753 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550793799 430544651 /nfs/dbraw/zinc/54/46/51/430544651.db2.gz AOTVYMSOUQAZQD-XWTMOSNGSA-N 2 1 316.445 2.753 20 0 DFADMP Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(Cl)c1 ZINC000570454670 430544687 /nfs/dbraw/zinc/54/46/87/430544687.db2.gz OFSAZLNTZCYSKF-MRXNPFEDSA-N 2 1 310.869 2.975 20 0 DFADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@@H](C)[NH3+])c2c1C ZINC000643036194 430545077 /nfs/dbraw/zinc/54/50/77/430545077.db2.gz SMRQPAHNZDYYPV-SNVBAGLBSA-N 2 1 319.478 2.663 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550793796 430545809 /nfs/dbraw/zinc/54/58/09/430545809.db2.gz AOTVYMSOUQAZQD-BSDSXHPESA-N 2 1 316.445 2.753 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000550793796 430545811 /nfs/dbraw/zinc/54/58/11/430545811.db2.gz AOTVYMSOUQAZQD-BSDSXHPESA-N 2 1 316.445 2.753 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]3C[C@H]32)C1 ZINC000554714543 430649865 /nfs/dbraw/zinc/64/98/65/430649865.db2.gz BYWKFWWZUNOURA-FZDIXFNVSA-N 2 1 300.446 2.531 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000639483275 430652235 /nfs/dbraw/zinc/65/22/35/430652235.db2.gz RRADAYVMERISTM-HOTGVXAUSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000639483275 430652236 /nfs/dbraw/zinc/65/22/36/430652236.db2.gz RRADAYVMERISTM-HOTGVXAUSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000639483275 430652240 /nfs/dbraw/zinc/65/22/40/430652240.db2.gz RRADAYVMERISTM-HOTGVXAUSA-N 2 1 303.450 2.939 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cnccn2)C1 ZINC000639489156 430653170 /nfs/dbraw/zinc/65/31/70/430653170.db2.gz OOZSKKWZRZPZRR-IRXDYDNUSA-N 2 1 302.466 2.606 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cnccn2)C1 ZINC000639489156 430653173 /nfs/dbraw/zinc/65/31/73/430653173.db2.gz OOZSKKWZRZPZRR-IRXDYDNUSA-N 2 1 302.466 2.606 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000639489156 430653175 /nfs/dbraw/zinc/65/31/75/430653175.db2.gz OOZSKKWZRZPZRR-IRXDYDNUSA-N 2 1 302.466 2.606 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cnccn2)C1 ZINC000639489156 430653178 /nfs/dbraw/zinc/65/31/78/430653178.db2.gz OOZSKKWZRZPZRR-IRXDYDNUSA-N 2 1 302.466 2.606 20 0 DFADMP Cc1cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)ccc1Cl ZINC000554890371 430655529 /nfs/dbraw/zinc/65/55/29/430655529.db2.gz XEFKDRXQZIFWBF-UHFFFAOYSA-N 2 1 311.901 2.964 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639504663 430657709 /nfs/dbraw/zinc/65/77/09/430657709.db2.gz AGUUMRWDWKCUNH-INIZCTEOSA-N 2 1 302.462 2.923 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000639504663 430657713 /nfs/dbraw/zinc/65/77/13/430657713.db2.gz AGUUMRWDWKCUNH-INIZCTEOSA-N 2 1 302.462 2.923 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639504663 430657714 /nfs/dbraw/zinc/65/77/14/430657714.db2.gz AGUUMRWDWKCUNH-INIZCTEOSA-N 2 1 302.462 2.923 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc21 ZINC000643463341 430604415 /nfs/dbraw/zinc/60/44/15/430604415.db2.gz ZHCBEJFZZLVHHX-QGTPRVQTSA-N 2 1 313.445 2.512 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000643461618 430604679 /nfs/dbraw/zinc/60/46/79/430604679.db2.gz RMWMXGRRTRXXJX-IUODEOHRSA-N 2 1 309.841 2.707 20 0 DFADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643493946 430608344 /nfs/dbraw/zinc/60/83/44/430608344.db2.gz QTFBCHBXQDZKCA-KBMXLJTQSA-N 2 1 318.465 2.617 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1 ZINC000643488765 430609073 /nfs/dbraw/zinc/60/90/73/430609073.db2.gz WJZIMMKVZQLDCI-ZVZYQTTQSA-N 2 1 306.450 2.751 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC000643501546 430609593 /nfs/dbraw/zinc/60/95/93/430609593.db2.gz KEPMNBFZRASDOG-LWYYNNOASA-N 2 1 313.489 2.914 20 0 DFADMP COCCC[C@@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643526948 430612533 /nfs/dbraw/zinc/61/25/33/430612533.db2.gz BKXYGUZRIGKWJI-BXUZGUMPSA-N 2 1 315.255 2.854 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000639360401 430619494 /nfs/dbraw/zinc/61/94/94/430619494.db2.gz WYHXCCXIYMBZTN-TTYHFUOFSA-N 2 1 314.473 2.912 20 0 DFADMP Cc1cc(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)n[nH]1 ZINC000571453501 430628412 /nfs/dbraw/zinc/62/84/12/430628412.db2.gz URAWVDVTODRILF-UHFFFAOYSA-N 2 1 310.445 2.743 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](C)O ZINC000571561126 430636878 /nfs/dbraw/zinc/63/68/78/430636878.db2.gz UBMSTAXLKLMHEA-NJAFHUGGSA-N 2 1 302.462 2.933 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](C)O ZINC000571561126 430636881 /nfs/dbraw/zinc/63/68/81/430636881.db2.gz UBMSTAXLKLMHEA-NJAFHUGGSA-N 2 1 302.462 2.933 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000571551754 430637041 /nfs/dbraw/zinc/63/70/41/430637041.db2.gz ISYWYXXWKBLHSD-YQVWRLOYSA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000571551754 430637044 /nfs/dbraw/zinc/63/70/44/430637044.db2.gz ISYWYXXWKBLHSD-YQVWRLOYSA-N 2 1 302.462 2.758 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000571571381 430638105 /nfs/dbraw/zinc/63/81/05/430638105.db2.gz BJGFUZSIXBIKMA-LNLFQRSKSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000571571381 430638107 /nfs/dbraw/zinc/63/81/07/430638107.db2.gz BJGFUZSIXBIKMA-LNLFQRSKSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000571571381 430638108 /nfs/dbraw/zinc/63/81/08/430638108.db2.gz BJGFUZSIXBIKMA-LNLFQRSKSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1nc3c(s1)CCCC3)CC[NH2+]CC2 ZINC000643973763 430645601 /nfs/dbraw/zinc/64/56/01/430645601.db2.gz HHVIMDGUWNCPSR-CYBMUJFWSA-N 2 1 305.491 2.986 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572257766 430678391 /nfs/dbraw/zinc/67/83/91/430678391.db2.gz QIFDNGALBSHFFO-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572257766 430678392 /nfs/dbraw/zinc/67/83/92/430678392.db2.gz QIFDNGALBSHFFO-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCO[C@@H]3C)C1)CCCC2 ZINC000639598335 430678700 /nfs/dbraw/zinc/67/87/00/430678700.db2.gz QPNZBPDWNUMVLN-FVQBIDKESA-N 2 1 303.450 2.742 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CCO[C@@H]3C)C1)CCCC2 ZINC000639598335 430678701 /nfs/dbraw/zinc/67/87/01/430678701.db2.gz QPNZBPDWNUMVLN-FVQBIDKESA-N 2 1 303.450 2.742 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639615393 430681528 /nfs/dbraw/zinc/68/15/28/430681528.db2.gz OCWFCHZYCGXCQL-ZWKOTPCHSA-N 2 1 317.477 2.650 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639615393 430681530 /nfs/dbraw/zinc/68/15/30/430681530.db2.gz OCWFCHZYCGXCQL-ZWKOTPCHSA-N 2 1 317.477 2.650 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639615393 430681531 /nfs/dbraw/zinc/68/15/31/430681531.db2.gz OCWFCHZYCGXCQL-ZWKOTPCHSA-N 2 1 317.477 2.650 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639615393 430681532 /nfs/dbraw/zinc/68/15/32/430681532.db2.gz OCWFCHZYCGXCQL-ZWKOTPCHSA-N 2 1 317.477 2.650 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639615391 430681627 /nfs/dbraw/zinc/68/16/27/430681627.db2.gz OCWFCHZYCGXCQL-ROUUACIJSA-N 2 1 317.477 2.650 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639615391 430681628 /nfs/dbraw/zinc/68/16/28/430681628.db2.gz OCWFCHZYCGXCQL-ROUUACIJSA-N 2 1 317.477 2.650 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639615391 430681630 /nfs/dbraw/zinc/68/16/30/430681630.db2.gz OCWFCHZYCGXCQL-ROUUACIJSA-N 2 1 317.477 2.650 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@@H]2CC(C)(C)CO2)C1 ZINC000639615391 430681631 /nfs/dbraw/zinc/68/16/31/430681631.db2.gz OCWFCHZYCGXCQL-ROUUACIJSA-N 2 1 317.477 2.650 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@H]2C)C1 ZINC000639614792 430681758 /nfs/dbraw/zinc/68/17/58/430681758.db2.gz HCHIBZLHZZWUHZ-JYJNAYRXSA-N 2 1 323.506 2.630 20 0 DFADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278526628 278036207 /nfs/dbraw/zinc/03/62/07/278036207.db2.gz NEJSMZKBLKXMGE-CRAIPNDOSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnc(-c2ccncc2)s1 ZINC000572409202 430686150 /nfs/dbraw/zinc/68/61/50/430686150.db2.gz CDTXEMALVIVJGE-XJKSGUPXSA-N 2 1 316.474 2.977 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2ccnn2C)c1 ZINC000572483317 430688598 /nfs/dbraw/zinc/68/85/98/430688598.db2.gz YTJTYSARDBVPBE-HXUWFJFHSA-N 2 1 324.472 2.971 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[C@H]1c1cccs1 ZINC000572393658 430685486 /nfs/dbraw/zinc/68/54/86/430685486.db2.gz SHNDOEYGSMDDAT-RTXFEEFZSA-N 2 1 322.396 2.644 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)C(F)(F)F)[C@H]1c1cccs1 ZINC000572393658 430685488 /nfs/dbraw/zinc/68/54/88/430685488.db2.gz SHNDOEYGSMDDAT-RTXFEEFZSA-N 2 1 322.396 2.644 20 0 DFADMP C[N@H+]1CC[C@@H](C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000556754432 430691640 /nfs/dbraw/zinc/69/16/40/430691640.db2.gz QHYJGLHRJFTLCL-OAHLLOKOSA-N 2 1 324.428 2.777 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)C2)cc(Cl)c1O ZINC000556779601 430692071 /nfs/dbraw/zinc/69/20/71/430692071.db2.gz CZRFJHWUTSSSAV-LBPRGKRZSA-N 2 1 312.841 2.876 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc(Cl)c1O ZINC000556779601 430692073 /nfs/dbraw/zinc/69/20/73/430692073.db2.gz CZRFJHWUTSSSAV-LBPRGKRZSA-N 2 1 312.841 2.876 20 0 DFADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)Cc1ccccc1 ZINC000249459209 278208231 /nfs/dbraw/zinc/20/82/31/278208231.db2.gz QJKHCNMMJLSEMN-HKUYNNGSSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000371985230 278259185 /nfs/dbraw/zinc/25/91/85/278259185.db2.gz RLUPBWUFVLQFTG-WMZOPIPTSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000371985230 278259186 /nfs/dbraw/zinc/25/91/86/278259186.db2.gz RLUPBWUFVLQFTG-WMZOPIPTSA-N 2 1 313.445 2.919 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000556937392 430696642 /nfs/dbraw/zinc/69/66/42/430696642.db2.gz NNPGSVITUCJXLQ-HNNXBMFYSA-N 2 1 314.433 2.897 20 0 DFADMP Brc1c[nH+]ccc1NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000664679522 430721542 /nfs/dbraw/zinc/72/15/42/430721542.db2.gz SEKNRVCCBGKYFI-CYBMUJFWSA-N 2 1 324.266 2.800 20 0 DFADMP Brc1c[nH+]ccc1NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000664679522 430721544 /nfs/dbraw/zinc/72/15/44/430721544.db2.gz SEKNRVCCBGKYFI-CYBMUJFWSA-N 2 1 324.266 2.800 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750995 430725930 /nfs/dbraw/zinc/72/59/30/430725930.db2.gz MOGMRFPLRWXLDA-AGWAZZAUSA-N 2 1 300.446 2.933 20 0 DFADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657997274 430782675 /nfs/dbraw/zinc/78/26/75/430782675.db2.gz ARMLHABBUZKWIM-MSOLQXFVSA-N 2 1 310.445 2.830 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+][C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773383 430731095 /nfs/dbraw/zinc/73/10/95/430731095.db2.gz RDABJMFOUUBHTD-ZWKOTPCHSA-N 2 1 300.446 2.667 20 0 DFADMP Cn1cncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772033 430732610 /nfs/dbraw/zinc/73/26/10/430732610.db2.gz IXRJKQIIHODIIK-SFHVURJKSA-N 2 1 324.472 2.812 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)Cc2ccccc2)c1 ZINC000644527131 430743524 /nfs/dbraw/zinc/74/35/24/430743524.db2.gz OGTRLBQJHZQZEV-FQEVSTJZSA-N 2 1 312.457 2.832 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC(=O)Nc1ccccc1F ZINC000644525352 430743914 /nfs/dbraw/zinc/74/39/14/430743914.db2.gz VCEMMXMRBRZJLV-CYBMUJFWSA-N 2 1 318.396 2.585 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)C1CCC1 ZINC000644658843 430783348 /nfs/dbraw/zinc/78/33/48/430783348.db2.gz IELUHUJXUMOTFA-GOSISDBHSA-N 2 1 304.478 2.895 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C)(C)C1CCC1 ZINC000644658843 430783354 /nfs/dbraw/zinc/78/33/54/430783354.db2.gz IELUHUJXUMOTFA-GOSISDBHSA-N 2 1 304.478 2.895 20 0 DFADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1F ZINC000644569554 430756215 /nfs/dbraw/zinc/75/62/15/430756215.db2.gz XSYQVQMZDXCOHR-AWEZNQCLSA-N 2 1 307.413 2.618 20 0 DFADMP CC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000644573761 430756291 /nfs/dbraw/zinc/75/62/91/430756291.db2.gz FZXPVKJFTMGMQF-QGZVFWFLSA-N 2 1 302.418 2.772 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000657864697 430757353 /nfs/dbraw/zinc/75/73/53/430757353.db2.gz RJLVZRBFXMZBTA-JTQLQIEISA-N 2 1 309.211 2.700 20 0 DFADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccccc1F ZINC000644569555 430757505 /nfs/dbraw/zinc/75/75/05/430757505.db2.gz XSYQVQMZDXCOHR-CQSZACIVSA-N 2 1 307.413 2.618 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000644576674 430758331 /nfs/dbraw/zinc/75/83/31/430758331.db2.gz VEXTVTXQTORRIU-PUJMQQBBSA-N 2 1 308.853 2.631 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000644576674 430758335 /nfs/dbraw/zinc/75/83/35/430758335.db2.gz VEXTVTXQTORRIU-PUJMQQBBSA-N 2 1 308.853 2.631 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1Cl ZINC000657875776 430758594 /nfs/dbraw/zinc/75/85/94/430758594.db2.gz PFUWANAHESPXNT-UKPHBRMFSA-N 2 1 310.869 2.878 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCSCC2)C[C@H](C)O1 ZINC000657918550 430767586 /nfs/dbraw/zinc/76/75/86/430767586.db2.gz DXIYIGPEVWMOEZ-XHSDSOJGSA-N 2 1 300.512 2.751 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000644602136 430767729 /nfs/dbraw/zinc/76/77/29/430767729.db2.gz KBNWCCFTRGWOMC-JKSUJKDBSA-N 2 1 312.404 2.647 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000644602136 430767731 /nfs/dbraw/zinc/76/77/31/430767731.db2.gz KBNWCCFTRGWOMC-JKSUJKDBSA-N 2 1 312.404 2.647 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCF)cc2)C1 ZINC000658134932 430820352 /nfs/dbraw/zinc/82/03/52/430820352.db2.gz CFNAYMITCUVYDN-QRVBRYPASA-N 2 1 320.452 2.871 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)C1 ZINC000658140288 430822196 /nfs/dbraw/zinc/82/21/96/430822196.db2.gz PLUSYSPCRQBKEQ-SFHVURJKSA-N 2 1 300.446 2.531 20 0 DFADMP CCCC[C@H](COC)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138559 430822274 /nfs/dbraw/zinc/82/22/74/430822274.db2.gz JJWAYDRCSTURHE-MOPGFXCFSA-N 2 1 320.477 2.548 20 0 DFADMP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658136628 430822375 /nfs/dbraw/zinc/82/23/75/430822375.db2.gz HNZGVVQAMZWOAW-ROUUACIJSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142856 430823274 /nfs/dbraw/zinc/82/32/74/430823274.db2.gz FCAHAWYLZRYZJP-ATZDWAIDSA-N 2 1 302.462 2.922 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139846 430823936 /nfs/dbraw/zinc/82/39/36/430823936.db2.gz TTWZTYNXAZIKJQ-UXHICEINSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@@H](CC1CCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658141586 430824146 /nfs/dbraw/zinc/82/41/46/430824146.db2.gz SMBSHPWQXPMMCP-KXBFYZLASA-N 2 1 302.462 2.922 20 0 DFADMP C[C@H]([NH2+][C@@H](C)C1(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658155320 430825023 /nfs/dbraw/zinc/82/50/23/430825023.db2.gz OZVSITDBYQUKQQ-BQFCYCMXSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1(CO)CC1 ZINC000658155321 430825624 /nfs/dbraw/zinc/82/56/24/430825624.db2.gz OZVSITDBYQUKQQ-JZXOWHBKSA-N 2 1 302.462 2.648 20 0 DFADMP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658170737 430833828 /nfs/dbraw/zinc/83/38/28/430833828.db2.gz NMUYFVYVFBWATI-JCHJZTRSSA-N 2 1 302.462 2.912 20 0 DFADMP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658170738 430834618 /nfs/dbraw/zinc/83/46/18/430834618.db2.gz NMUYFVYVFBWATI-WZGPROSRSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000648432551 430784554 /nfs/dbraw/zinc/78/45/54/430784554.db2.gz XDAWZWKJCQOMCQ-FXAWDEMLSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000648432551 430784558 /nfs/dbraw/zinc/78/45/58/430784558.db2.gz XDAWZWKJCQOMCQ-FXAWDEMLSA-N 2 1 315.505 2.766 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1CC(F)(F)C1 ZINC000644666616 430785540 /nfs/dbraw/zinc/78/55/40/430785540.db2.gz IYCXEOGGRMGZCA-MRXNPFEDSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC1CC(F)(F)C1 ZINC000644666616 430785544 /nfs/dbraw/zinc/78/55/44/430785544.db2.gz IYCXEOGGRMGZCA-MRXNPFEDSA-N 2 1 312.404 2.504 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648437620 430787420 /nfs/dbraw/zinc/78/74/20/430787420.db2.gz AEWKJTVIBNTFLU-IBGZPJMESA-N 2 1 302.462 2.634 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CC(OC)C2)[C@H](C)C1 ZINC000658054843 430796204 /nfs/dbraw/zinc/79/62/04/430796204.db2.gz FEDKXPMSVPDEGH-AQEOSJORSA-N 2 1 312.498 2.528 20 0 DFADMP COC[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000658084198 430804461 /nfs/dbraw/zinc/80/44/61/430804461.db2.gz IGJKLHURCBXXIC-NZSAHSFTSA-N 2 1 320.477 2.538 20 0 DFADMP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000658089037 430805455 /nfs/dbraw/zinc/80/54/55/430805455.db2.gz WTZHGCXTLDHBIO-IYWMVGAKSA-N 2 1 314.473 2.933 20 0 DFADMP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000658089050 430805793 /nfs/dbraw/zinc/80/57/93/430805793.db2.gz WTZHGCXTLDHBIO-YSTOQKLRSA-N 2 1 314.473 2.933 20 0 DFADMP COC[C@H](CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000658086026 430805950 /nfs/dbraw/zinc/80/59/50/430805950.db2.gz SYGQOBDXAMKLJV-QRQLOZEOSA-N 2 1 320.477 2.538 20 0 DFADMP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000658089035 430806336 /nfs/dbraw/zinc/80/63/36/430806336.db2.gz WTZHGCXTLDHBIO-HAGHYFMRSA-N 2 1 314.473 2.933 20 0 DFADMP CC(C)[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1COC1 ZINC000648606318 430836687 /nfs/dbraw/zinc/83/66/87/430836687.db2.gz QDQVLPWEMRMCNX-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP c1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)ccc2o1 ZINC000665238178 430864597 /nfs/dbraw/zinc/86/45/97/430864597.db2.gz SJCONCWEIXBEAN-ZACQAIPSSA-N 2 1 300.402 2.680 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000665238362 430864808 /nfs/dbraw/zinc/86/48/08/430864808.db2.gz WWOKZNSITJSVDB-CWRNSKLLSA-N 2 1 304.434 2.714 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000665248899 430868020 /nfs/dbraw/zinc/86/80/20/430868020.db2.gz FNGDIEVUJIWBMP-CQSZACIVSA-N 2 1 322.449 2.643 20 0 DFADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1C ZINC000665246074 430868197 /nfs/dbraw/zinc/86/81/97/430868197.db2.gz YINZEUHYAGAQGQ-QRVBRYPASA-N 2 1 302.462 2.593 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)C1CCOCC1 ZINC000665253215 430869950 /nfs/dbraw/zinc/86/99/50/430869950.db2.gz KOKVRYNKCQSQCQ-CDHAZOANSA-N 2 1 324.415 2.815 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648724310 430870424 /nfs/dbraw/zinc/87/04/24/430870424.db2.gz QYZMUOHIBDCDSC-NXHRZFHOSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CCOCC1 ZINC000665257416 430872957 /nfs/dbraw/zinc/87/29/57/430872957.db2.gz IQBIENHUNLAKIM-MORSLUCNSA-N 2 1 306.425 2.676 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665266785 430877101 /nfs/dbraw/zinc/87/71/01/430877101.db2.gz JRWZTLGBXCAIBV-ILZDJORESA-N 2 1 315.505 2.942 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000648752675 430879697 /nfs/dbraw/zinc/87/96/97/430879697.db2.gz GVLIZSKHAQGNLG-HNNXBMFYSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000665281203 430881842 /nfs/dbraw/zinc/88/18/42/430881842.db2.gz XARMDJHDBABZIF-UHOSZYNNSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000665281203 430881847 /nfs/dbraw/zinc/88/18/47/430881847.db2.gz XARMDJHDBABZIF-UHOSZYNNSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000665281203 430881852 /nfs/dbraw/zinc/88/18/52/430881852.db2.gz XARMDJHDBABZIF-UHOSZYNNSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000665281203 430881857 /nfs/dbraw/zinc/88/18/57/430881857.db2.gz XARMDJHDBABZIF-UHOSZYNNSA-N 2 1 303.494 2.860 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000648755241 430882933 /nfs/dbraw/zinc/88/29/33/430882933.db2.gz UXHQBBMSVSNBBK-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000648755241 430882937 /nfs/dbraw/zinc/88/29/37/430882937.db2.gz UXHQBBMSVSNBBK-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000658351953 430883669 /nfs/dbraw/zinc/88/36/69/430883669.db2.gz BQXPIETYQHEYHX-CEXWTWQISA-N 3 1 305.510 2.571 20 0 DFADMP CN1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]2CCC[C@H]21 ZINC000658351953 430883671 /nfs/dbraw/zinc/88/36/71/430883671.db2.gz BQXPIETYQHEYHX-CEXWTWQISA-N 2 1 305.510 2.571 20 0 DFADMP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658189894 430837929 /nfs/dbraw/zinc/83/79/29/430837929.db2.gz ZPUCCHXTVMXAMY-WJFTUGDTSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658190031 430838739 /nfs/dbraw/zinc/83/87/39/430838739.db2.gz GNTPSLVLIJUBLJ-FCGDIQPGSA-N 2 1 302.462 2.790 20 0 DFADMP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000661779905 430839603 /nfs/dbraw/zinc/83/96/03/430839603.db2.gz OLEREKMMSKBHFD-KZNAEPCWSA-N 2 1 304.482 2.595 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661775906 430839720 /nfs/dbraw/zinc/83/97/20/430839720.db2.gz DHVVSRCGSVQSBG-QZTJIDSGSA-N 2 1 315.465 2.706 20 0 DFADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300127 430890962 /nfs/dbraw/zinc/89/09/62/430890962.db2.gz YRVNIGBYCPRSMB-UZLBHIALSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)[C@H]1CCC[NH2+]C1 ZINC000665299660 430891127 /nfs/dbraw/zinc/89/11/27/430891127.db2.gz QYOWLXMKPQRXED-BHYGNILZSA-N 2 1 310.445 2.837 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299915 430891190 /nfs/dbraw/zinc/89/11/90/430891190.db2.gz VILFNBNLIUCBCB-WMLDXEAASA-N 3 1 316.493 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299915 430891192 /nfs/dbraw/zinc/89/11/92/430891192.db2.gz VILFNBNLIUCBCB-WMLDXEAASA-N 2 1 316.493 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299915 430891194 /nfs/dbraw/zinc/89/11/94/430891194.db2.gz VILFNBNLIUCBCB-WMLDXEAASA-N 2 1 316.493 2.621 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000648793910 430894113 /nfs/dbraw/zinc/89/41/13/430894113.db2.gz VINIDOVEAAUTTG-OAGGEKHMSA-N 2 1 320.481 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000648793910 430894118 /nfs/dbraw/zinc/89/41/18/430894118.db2.gz VINIDOVEAAUTTG-OAGGEKHMSA-N 2 1 320.481 2.728 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000651865880 430897287 /nfs/dbraw/zinc/89/72/87/430897287.db2.gz LFFXWPAOMPRDLD-KRWDZBQOSA-N 2 1 319.493 2.996 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000648801214 430897960 /nfs/dbraw/zinc/89/79/60/430897960.db2.gz LHCFBUKWGBFIMB-JKSUJKDBSA-N 2 1 320.481 2.587 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000648861457 430917333 /nfs/dbraw/zinc/91/73/33/430917333.db2.gz BGZQSJFGHFHANU-HNNXBMFYSA-N 2 1 320.481 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCC(F)CC1 ZINC000661999872 430918062 /nfs/dbraw/zinc/91/80/62/430918062.db2.gz ILIOTVUHGBUPOT-RXQRSOPUSA-N 2 1 322.468 2.986 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC(F)CC1 ZINC000661999872 430918066 /nfs/dbraw/zinc/91/80/66/430918066.db2.gz ILIOTVUHGBUPOT-RXQRSOPUSA-N 2 1 322.468 2.986 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000648876212 430922210 /nfs/dbraw/zinc/92/22/10/430922210.db2.gz RWROTBOHYJAIQM-INIZCTEOSA-N 2 1 320.481 2.731 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648907871 430932960 /nfs/dbraw/zinc/93/29/60/430932960.db2.gz HRDXSOOBABORBN-HUUCEWRRSA-N 2 1 308.470 2.633 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648907871 430932963 /nfs/dbraw/zinc/93/29/63/430932963.db2.gz HRDXSOOBABORBN-HUUCEWRRSA-N 2 1 308.470 2.633 20 0 DFADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662148482 430980296 /nfs/dbraw/zinc/98/02/96/430980296.db2.gz KTBOQLLUQYSTQY-YWZLYKJASA-N 2 1 314.473 2.767 20 0 DFADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662148482 430980302 /nfs/dbraw/zinc/98/03/02/430980302.db2.gz KTBOQLLUQYSTQY-YWZLYKJASA-N 2 1 314.473 2.767 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN([C@@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000662154073 430981070 /nfs/dbraw/zinc/98/10/70/430981070.db2.gz WDEXUABVTTXNJO-RDTXWAMCSA-N 2 1 320.864 2.858 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)CCOc1ccccc1OC ZINC000662204363 430995967 /nfs/dbraw/zinc/99/59/67/430995967.db2.gz ILOZOGIDPFOTCL-UHFFFAOYSA-N 2 1 317.433 2.762 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)CCOc1ccccc1OC ZINC000662204363 430995969 /nfs/dbraw/zinc/99/59/69/430995969.db2.gz ILOZOGIDPFOTCL-UHFFFAOYSA-N 2 1 317.433 2.762 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H](Cc2ccccc2)c2nccn2C)CC[N@H+]1C ZINC000652274854 431008579 /nfs/dbraw/zinc/00/85/79/431008579.db2.gz XJGXTPNYDTULBO-NJAFHUGGSA-N 2 1 312.461 2.776 20 0 DFADMP c1ccc(SC[C@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256355 431019892 /nfs/dbraw/zinc/01/98/92/431019892.db2.gz IMJLILDXSCJXNX-JKSUJKDBSA-N 2 1 318.486 2.622 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)[C@H](CC)CO1 ZINC000652344471 431025329 /nfs/dbraw/zinc/02/53/29/431025329.db2.gz JITJGSQDPFLCTM-GVDBMIGSSA-N 2 1 306.450 2.627 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)[C@H](CC)CO1 ZINC000652344471 431025332 /nfs/dbraw/zinc/02/53/32/431025332.db2.gz JITJGSQDPFLCTM-GVDBMIGSSA-N 2 1 306.450 2.627 20 0 DFADMP C[N@@H+](CCc1ccc2c(c1)OC(F)(F)O2)[C@@H]1CCC[NH2+]CC1 ZINC000662267343 431025367 /nfs/dbraw/zinc/02/53/67/431025367.db2.gz UFTKXIGUFHINJH-CYBMUJFWSA-N 2 1 312.360 2.625 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000652345900 431025723 /nfs/dbraw/zinc/02/57/23/431025723.db2.gz ONUVWPDNCPVXHW-IPMKNSEASA-N 2 1 302.462 2.838 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCc3ccsc3)C2)C1 ZINC000652349311 431027198 /nfs/dbraw/zinc/02/71/98/431027198.db2.gz KGFWIRBAECBDFV-BBWFWOEESA-N 2 1 308.491 2.899 20 0 DFADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349390 431027785 /nfs/dbraw/zinc/02/77/85/431027785.db2.gz MZYFXARXSRULRK-GBESFXJTSA-N 2 1 302.462 2.967 20 0 DFADMP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)no1 ZINC000652350300 431027847 /nfs/dbraw/zinc/02/78/47/431027847.db2.gz QYHKTYAQYIVGAP-SQWLQELKSA-N 2 1 321.465 2.690 20 0 DFADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)no1 ZINC000652350300 431027850 /nfs/dbraw/zinc/02/78/50/431027850.db2.gz QYHKTYAQYIVGAP-SQWLQELKSA-N 2 1 321.465 2.690 20 0 DFADMP CC[C@@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000662272128 431028155 /nfs/dbraw/zinc/02/81/55/431028155.db2.gz KJSGIWZMGFZWTJ-OLZOCXBDSA-N 2 1 312.360 2.610 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272646 431028260 /nfs/dbraw/zinc/02/82/60/431028260.db2.gz GNLQVJLCDDHAIB-ROUUACIJSA-N 2 1 314.473 2.794 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](CC(=O)NCCCC1CCCCC1)C2 ZINC000652351875 431028589 /nfs/dbraw/zinc/02/85/89/431028589.db2.gz BZCOOTDOEGRLEH-HKUYNNGSSA-N 2 1 321.509 2.524 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CC(=O)NCCCC1CCCCC1)C2 ZINC000652351875 431028596 /nfs/dbraw/zinc/02/85/96/431028596.db2.gz BZCOOTDOEGRLEH-HKUYNNGSSA-N 2 1 321.509 2.524 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662278637 431029242 /nfs/dbraw/zinc/02/92/42/431029242.db2.gz ZQSBUIHQOIHAIL-ZDUSSCGKSA-N 2 1 300.349 2.514 20 0 DFADMP CN(c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1)C1CC1 ZINC000662275155 431029319 /nfs/dbraw/zinc/02/93/19/431029319.db2.gz SYULGAXLJWGJLY-MRXNPFEDSA-N 2 1 320.506 2.706 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354832 431029459 /nfs/dbraw/zinc/02/94/59/431029459.db2.gz JMRIXBMAMBBRLN-YJBOKZPZSA-N 2 1 306.450 2.661 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662278257 431030825 /nfs/dbraw/zinc/03/08/25/431030825.db2.gz DBBGCMSOVIKQJM-WMZOPIPTSA-N 2 1 300.446 2.961 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@H]1CC[NH3+] ZINC000652355220 431030954 /nfs/dbraw/zinc/03/09/54/431030954.db2.gz RMDBWMSLUBJTDW-KDOFPFPSSA-N 2 1 316.424 2.961 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@H]1CC[NH3+] ZINC000652355220 431030955 /nfs/dbraw/zinc/03/09/55/431030955.db2.gz RMDBWMSLUBJTDW-KDOFPFPSSA-N 2 1 316.424 2.961 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652353340 431031030 /nfs/dbraw/zinc/03/10/30/431031030.db2.gz AKAMWRPWRADWCA-NVXWUHKLSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000652353340 431031033 /nfs/dbraw/zinc/03/10/33/431031033.db2.gz AKAMWRPWRADWCA-NVXWUHKLSA-N 2 1 303.450 2.691 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccncc2Cl)C1 ZINC000652363326 431032112 /nfs/dbraw/zinc/03/21/12/431032112.db2.gz AZKSSNLFJDKISO-VNQPRFMTSA-N 2 1 309.841 2.596 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)on2)cc1 ZINC000662282730 431032137 /nfs/dbraw/zinc/03/21/37/431032137.db2.gz QFWRSTGZNJEBQK-ZFWWWQNUSA-N 2 1 315.417 2.767 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)on2)cc1 ZINC000662282730 431032142 /nfs/dbraw/zinc/03/21/42/431032142.db2.gz QFWRSTGZNJEBQK-ZFWWWQNUSA-N 2 1 315.417 2.767 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOCc2ccccc2)C1 ZINC000662282561 431032472 /nfs/dbraw/zinc/03/24/72/431032472.db2.gz CGMYFESBKLMAIA-QRVBRYPASA-N 2 1 318.461 2.564 20 0 DFADMP CC(C)(C)c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662281716 431032590 /nfs/dbraw/zinc/03/25/90/431032590.db2.gz ZPFMNEFSOMRMGS-GOSISDBHSA-N 2 1 314.473 2.863 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCOc2ccccc2)C1 ZINC000652361754 431032944 /nfs/dbraw/zinc/03/29/44/431032944.db2.gz OOINDMQIWOSVHY-NEWSRXKRSA-N 2 1 318.461 2.816 20 0 DFADMP COCC[C@@H]1CCCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662281982 431033313 /nfs/dbraw/zinc/03/33/13/431033313.db2.gz NCOSQLDPDREZAB-INIZCTEOSA-N 2 1 302.462 2.971 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CCCC1 ZINC000662284992 431034181 /nfs/dbraw/zinc/03/41/81/431034181.db2.gz TUUCHCLRLFSGIG-BRSBDYLESA-N 2 1 310.482 2.552 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286908 431034533 /nfs/dbraw/zinc/03/45/33/431034533.db2.gz TVMSKJIYAQEHNK-QPSCCSFWSA-N 2 1 304.425 2.886 20 0 DFADMP CC(C)c1noc([C@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291601 431035275 /nfs/dbraw/zinc/03/52/75/431035275.db2.gz JAAUQGSYWJRKLG-DZGCQCFKSA-N 2 1 306.454 2.966 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1)c1ccccc1 ZINC000662285163 431035333 /nfs/dbraw/zinc/03/53/33/431035333.db2.gz YJEPTXIURBCANW-ZSYWTGECSA-N 2 1 318.461 2.735 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286905 431036022 /nfs/dbraw/zinc/03/60/22/431036022.db2.gz TVMSKJIYAQEHNK-BARDWOONSA-N 2 1 304.425 2.886 20 0 DFADMP O=C(C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000662293649 431036093 /nfs/dbraw/zinc/03/60/93/431036093.db2.gz HFFCYKIADBDMDO-KRWDZBQOSA-N 2 1 321.509 2.537 20 0 DFADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000662310237 431042340 /nfs/dbraw/zinc/04/23/40/431042340.db2.gz IMWHYWHOXSWXFL-PBHICJAKSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cn(-c3ccccc3)nn2)[C@@H]1CCC[NH3+] ZINC000662311207 431042749 /nfs/dbraw/zinc/04/27/49/431042749.db2.gz AFSQLKKOZHHELP-CRAIPNDOSA-N 2 1 313.449 2.607 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313983 431044474 /nfs/dbraw/zinc/04/44/74/431044474.db2.gz ARKIZAUNOGTLDJ-SZVBFZGTSA-N 3 1 319.493 2.577 20 0 DFADMP COc1ccc([C@H](CN)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313983 431044478 /nfs/dbraw/zinc/04/44/78/431044478.db2.gz ARKIZAUNOGTLDJ-SZVBFZGTSA-N 2 1 319.493 2.577 20 0 DFADMP COc1ccc([C@H](CN)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313983 431044482 /nfs/dbraw/zinc/04/44/82/431044482.db2.gz ARKIZAUNOGTLDJ-SZVBFZGTSA-N 2 1 319.493 2.577 20 0 DFADMP COc1cccc(CCC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662320115 431046271 /nfs/dbraw/zinc/04/62/71/431046271.db2.gz PYNSYNFCZWWZQE-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOc2ccc(F)cc2)CCO1 ZINC000662321182 431046508 /nfs/dbraw/zinc/04/65/08/431046508.db2.gz YUBOWPFBMDNHOI-SFHVURJKSA-N 2 1 324.440 2.637 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](CCCC(=O)c2ccccc2)CCO1 ZINC000662325956 431046938 /nfs/dbraw/zinc/04/69/38/431046938.db2.gz MFYMMVDZIPVEJW-SFHVURJKSA-N 2 1 318.461 2.692 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCC(=O)c2ccccc2)CCO1 ZINC000662325956 431046944 /nfs/dbraw/zinc/04/69/44/431046944.db2.gz MFYMMVDZIPVEJW-SFHVURJKSA-N 2 1 318.461 2.692 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)CC1 ZINC000645688759 431051191 /nfs/dbraw/zinc/05/11/91/431051191.db2.gz VTLDGDOHNCRYBT-OAHLLOKOSA-N 2 1 317.477 2.899 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649288186 431057718 /nfs/dbraw/zinc/05/77/18/431057718.db2.gz AOGSEWQYIIFMRI-UWIFEVILSA-N 2 1 313.445 2.750 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(C(=O)CCC(C)(C)[NH3+])CC1 ZINC000649287474 431058063 /nfs/dbraw/zinc/05/80/63/431058063.db2.gz ILNVCSROXYQUJT-UHFFFAOYSA-N 2 1 317.477 2.547 20 0 DFADMP CC(C)[C@@H]([NH3+])CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000649306891 431062847 /nfs/dbraw/zinc/06/28/47/431062847.db2.gz XHAQSLVLQILGOO-KRWDZBQOSA-N 2 1 305.466 2.516 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000649310916 431063599 /nfs/dbraw/zinc/06/35/99/431063599.db2.gz NLDJHAYSCSGLLV-KZNAEPCWSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318866 431064245 /nfs/dbraw/zinc/06/42/45/431064245.db2.gz QSQRYUWJCONFDE-IOASZLSFSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244451 431013612 /nfs/dbraw/zinc/01/36/12/431013612.db2.gz GXDDKYJCPVOBKY-YPMHNXCESA-N 2 1 312.360 2.610 20 0 DFADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662253828 431015373 /nfs/dbraw/zinc/01/53/73/431015373.db2.gz WZIZKQMHEJCNQF-QZTJIDSGSA-N 2 1 300.446 2.961 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253977 431015703 /nfs/dbraw/zinc/01/57/03/431015703.db2.gz CTZCVLQARFBKDA-CPUCHLNUSA-N 2 1 304.409 2.730 20 0 DFADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249927 431016445 /nfs/dbraw/zinc/01/64/45/431016445.db2.gz VLICTKVZKJHBQI-YJBOKZPZSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254043 431017372 /nfs/dbraw/zinc/01/73/72/431017372.db2.gz DPOPYCDNDXFQBY-BBRMVZONSA-N 2 1 308.853 2.724 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258320 431018783 /nfs/dbraw/zinc/01/87/83/431018783.db2.gz VSPYBNCKZHGAOQ-QZTJIDSGSA-N 2 1 302.462 2.769 20 0 DFADMP CC(C)c1nnc(CN(C)C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000649460684 431108727 /nfs/dbraw/zinc/10/87/27/431108727.db2.gz OTEJVDSDBAFEIZ-GFCCVEGCSA-N 2 1 305.451 2.552 20 0 DFADMP Cc1noc(C)c1[C@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655738905 431108945 /nfs/dbraw/zinc/10/89/45/431108945.db2.gz ZZEAJPQYNQAPRK-CXAGYDPISA-N 2 1 321.465 2.628 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000662589353 431126544 /nfs/dbraw/zinc/12/65/44/431126544.db2.gz BMZUILMLKLTFSM-NVXWUHKLSA-N 2 1 317.477 2.703 20 0 DFADMP c1cc(C2CC2)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655760147 431118964 /nfs/dbraw/zinc/11/89/64/431118964.db2.gz KUBMIMCWCDIXOX-IBGZPJMESA-N 2 1 300.446 2.907 20 0 DFADMP C[N@H+]1CCC[C@@H]1[C@H]1CCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000645941455 431122648 /nfs/dbraw/zinc/12/26/48/431122648.db2.gz NDGMSRPRJOXKII-KZNAEPCWSA-N 2 1 315.461 2.552 20 0 DFADMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649377961 431081685 /nfs/dbraw/zinc/08/16/85/431081685.db2.gz GYZOALGXEDMZMG-FUHWJXTLSA-N 2 1 323.525 2.863 20 0 DFADMP Fc1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655695377 431084725 /nfs/dbraw/zinc/08/47/25/431084725.db2.gz KPSIHRWXOXOARB-SFHVURJKSA-N 2 1 306.425 2.601 20 0 DFADMP Clc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655692289 431085132 /nfs/dbraw/zinc/08/51/32/431085132.db2.gz SRWQLVKPHQLXDX-KRWDZBQOSA-N 2 1 308.853 2.725 20 0 DFADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655695232 431085781 /nfs/dbraw/zinc/08/57/81/431085781.db2.gz UXNGSFGKQFYSMI-GOSISDBHSA-N 2 1 318.461 2.817 20 0 DFADMP CC[N@H+](CC(=O)N(C)C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662451125 431085875 /nfs/dbraw/zinc/08/58/75/431085875.db2.gz KWLNZJGZLUKDPO-UHFFFAOYSA-N 2 1 317.477 2.583 20 0 DFADMP CC[N@@H+](CC(=O)N(C)C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000662451125 431085881 /nfs/dbraw/zinc/08/58/81/431085881.db2.gz KWLNZJGZLUKDPO-UHFFFAOYSA-N 2 1 317.477 2.583 20 0 DFADMP c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655696432 431086254 /nfs/dbraw/zinc/08/62/54/431086254.db2.gz PJFFCXRWBUPFDE-PKOBYXMFSA-N 2 1 314.473 2.949 20 0 DFADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)COC1CCCCC1 ZINC000655695607 431086631 /nfs/dbraw/zinc/08/66/31/431086631.db2.gz OCUKOZDPVBUFND-IBGZPJMESA-N 2 1 324.509 2.959 20 0 DFADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1C2CC3CC(C2)CC1C3 ZINC000655701249 431089873 /nfs/dbraw/zinc/08/98/73/431089873.db2.gz DFWUEJHGZRGZNR-KAPMFFAGSA-N 2 1 318.505 2.902 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411426 431093722 /nfs/dbraw/zinc/09/37/22/431093722.db2.gz WPNHOYXTYUTGBA-SJORKVTESA-N 2 1 317.477 2.595 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)n1 ZINC000649413093 431093759 /nfs/dbraw/zinc/09/37/59/431093759.db2.gz LGKPHXHTWATAQG-GOSISDBHSA-N 2 1 304.482 2.744 20 0 DFADMP Cc1ccccc1CN1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649411549 431094730 /nfs/dbraw/zinc/09/47/30/431094730.db2.gz DNXBMQNSOUGAQF-IBGZPJMESA-N 2 1 315.505 2.892 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649411549 431094736 /nfs/dbraw/zinc/09/47/36/431094736.db2.gz DNXBMQNSOUGAQF-IBGZPJMESA-N 2 1 315.505 2.892 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(CC[C@@H]2CCC[NH2+]C2)CC1 ZINC000649411549 431094740 /nfs/dbraw/zinc/09/47/40/431094740.db2.gz DNXBMQNSOUGAQF-IBGZPJMESA-N 2 1 315.505 2.892 20 0 DFADMP CN(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000649418220 431095924 /nfs/dbraw/zinc/09/59/24/431095924.db2.gz JRUMOBICHUEVHQ-ROUUACIJSA-N 2 1 301.478 2.834 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C)SC2)CC1 ZINC000655717932 431097367 /nfs/dbraw/zinc/09/73/67/431097367.db2.gz GBYLFABVQLYKHI-ZBFHGGJFSA-N 2 1 300.512 2.750 20 0 DFADMP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655722223 431098335 /nfs/dbraw/zinc/09/83/35/431098335.db2.gz ZYOCRFDVWAYBPD-LJQANCHMSA-N 2 1 320.452 2.910 20 0 DFADMP Cc1nc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)sc1C ZINC000655723511 431102287 /nfs/dbraw/zinc/10/22/87/431102287.db2.gz KVAOCWHSGQLEIC-INIZCTEOSA-N 2 1 323.506 2.535 20 0 DFADMP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655729443 431102677 /nfs/dbraw/zinc/10/26/77/431102677.db2.gz GZKLFOOUXSIKJA-IBGZPJMESA-N 2 1 302.462 2.771 20 0 DFADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655726772 431103789 /nfs/dbraw/zinc/10/37/89/431103789.db2.gz DXIGCPLCPOSHMX-WDSOQIARSA-N 2 1 300.446 2.633 20 0 DFADMP Cc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655729444 431104052 /nfs/dbraw/zinc/10/40/52/431104052.db2.gz GZKLFOOUXSIKJA-LJQANCHMSA-N 2 1 302.462 2.771 20 0 DFADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000645898115 431104433 /nfs/dbraw/zinc/10/44/33/431104433.db2.gz XFVCIDBRNCQUTP-OAHLLOKOSA-N 2 1 324.415 2.552 20 0 DFADMP Fc1cccc(F)c1CCN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000645898115 431104436 /nfs/dbraw/zinc/10/44/36/431104436.db2.gz XFVCIDBRNCQUTP-OAHLLOKOSA-N 2 1 324.415 2.552 20 0 DFADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645895058 431105009 /nfs/dbraw/zinc/10/50/09/431105009.db2.gz URYPBTCPXLAZNK-PKOBYXMFSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645895058 431105015 /nfs/dbraw/zinc/10/50/15/431105015.db2.gz URYPBTCPXLAZNK-PKOBYXMFSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC[C@H]2CCOC2)C1 ZINC000645895058 431105019 /nfs/dbraw/zinc/10/50/19/431105019.db2.gz URYPBTCPXLAZNK-PKOBYXMFSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCC[C@H]2CCOC2)C1 ZINC000645895058 431105023 /nfs/dbraw/zinc/10/50/23/431105023.db2.gz URYPBTCPXLAZNK-PKOBYXMFSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCC[C@H]2CCOC2)C1 ZINC000645895058 431105027 /nfs/dbraw/zinc/10/50/27/431105027.db2.gz URYPBTCPXLAZNK-PKOBYXMFSA-N 2 1 317.477 2.652 20 0 DFADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655731200 431106633 /nfs/dbraw/zinc/10/66/33/431106633.db2.gz QWZKOJQKLBUMKN-NEWSRXKRSA-N 2 1 324.509 2.671 20 0 DFADMP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)CC1CCCCC1 ZINC000645953393 431129237 /nfs/dbraw/zinc/12/92/37/431129237.db2.gz RSPFGIRLGAPXNQ-ZWKOTPCHSA-N 2 1 321.509 2.665 20 0 DFADMP [NH3+][C@@H](CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)CC1CCCCC1 ZINC000645953392 431129653 /nfs/dbraw/zinc/12/96/53/431129653.db2.gz RSPFGIRLGAPXNQ-ROUUACIJSA-N 2 1 321.509 2.665 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H]2CCCC[C@@H]21 ZINC000645955952 431130043 /nfs/dbraw/zinc/13/00/43/431130043.db2.gz KAXDQZYPPSSTFN-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H]2CCCC[C@@H]21 ZINC000645955952 431130052 /nfs/dbraw/zinc/13/00/52/431130052.db2.gz KAXDQZYPPSSTFN-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000645955952 431130056 /nfs/dbraw/zinc/13/00/56/431130056.db2.gz KAXDQZYPPSSTFN-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000645955952 431130065 /nfs/dbraw/zinc/13/00/65/431130065.db2.gz KAXDQZYPPSSTFN-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655772545 431130125 /nfs/dbraw/zinc/13/01/25/431130125.db2.gz ODKGHFGSCSNMPR-HIFRSBDPSA-N 2 1 302.409 2.655 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000652756654 431127693 /nfs/dbraw/zinc/12/76/93/431127693.db2.gz OFZYNJRQFNQQIM-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000652756654 431127698 /nfs/dbraw/zinc/12/76/98/431127698.db2.gz OFZYNJRQFNQQIM-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CCCNC(=O)[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000652756654 431127707 /nfs/dbraw/zinc/12/77/07/431127707.db2.gz OFZYNJRQFNQQIM-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1cncc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000649509235 431134297 /nfs/dbraw/zinc/13/42/97/431134297.db2.gz TUNGVOWMDNHGNN-GOSISDBHSA-N 2 1 316.493 2.916 20 0 DFADMP Cc1cncc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000649509235 431134303 /nfs/dbraw/zinc/13/43/03/431134303.db2.gz TUNGVOWMDNHGNN-GOSISDBHSA-N 2 1 316.493 2.916 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)c1nncn1C ZINC000287091008 279138988 /nfs/dbraw/zinc/13/89/88/279138988.db2.gz CYFUGXVASLLVGZ-CQSZACIVSA-N 2 1 301.438 2.508 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000109120950 279141237 /nfs/dbraw/zinc/14/12/37/279141237.db2.gz VALMPTNGRGORFT-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC(F)(F)F ZINC000655776515 431133893 /nfs/dbraw/zinc/13/38/93/431133893.db2.gz MENYLDZQCYZPCI-TZMCWYRMSA-N 2 1 308.388 2.808 20 0 DFADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621250 279212392 /nfs/dbraw/zinc/21/23/92/279212392.db2.gz FHWBPSFYSAIUJN-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621250 279212395 /nfs/dbraw/zinc/21/23/95/279212395.db2.gz FHWBPSFYSAIUJN-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621250 279212397 /nfs/dbraw/zinc/21/23/97/279212397.db2.gz FHWBPSFYSAIUJN-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccc(C(=O)N(C)C)cc1 ZINC000120621250 279212399 /nfs/dbraw/zinc/21/23/99/279212399.db2.gz FHWBPSFYSAIUJN-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655792270 431142408 /nfs/dbraw/zinc/14/24/08/431142408.db2.gz YQSORJIBTIPNLE-IPMKNSEASA-N 2 1 322.493 2.567 20 0 DFADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000655817238 431164367 /nfs/dbraw/zinc/16/43/67/431164367.db2.gz JFUZJAAYESOILG-WMZOPIPTSA-N 2 1 302.462 2.913 20 0 DFADMP COCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000655817230 431165023 /nfs/dbraw/zinc/16/50/23/431165023.db2.gz JCQIJLBSSCCCOW-FUHWJXTLSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCC2(C)C)c1 ZINC000662695270 431165093 /nfs/dbraw/zinc/16/50/93/431165093.db2.gz IYIDIBSOFZATKZ-KRWDZBQOSA-N 2 1 317.477 2.531 20 0 DFADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662704284 431167430 /nfs/dbraw/zinc/16/74/30/431167430.db2.gz YHGYSKCIJPHBBF-IAGOWNOFSA-N 2 1 309.498 2.665 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662730129 431178282 /nfs/dbraw/zinc/17/82/82/431178282.db2.gz SCBPPFVHOSRHQV-HNNXBMFYSA-N 2 1 321.509 2.665 20 0 DFADMP Cc1ccc(NCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)[nH+]c1 ZINC000662736888 431181565 /nfs/dbraw/zinc/18/15/65/431181565.db2.gz VRTNMJFMXWAUGY-KRWDZBQOSA-N 2 1 324.428 2.543 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCCCc1ccccc1)CCO2 ZINC000646105787 431189490 /nfs/dbraw/zinc/18/94/90/431189490.db2.gz HSUDQTCUXSBATE-UHFFFAOYSA-N 2 1 302.462 2.806 20 0 DFADMP CN(C[C@H]1CCC[NH+]1C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649545433 431153168 /nfs/dbraw/zinc/15/31/68/431153168.db2.gz FAEJTDZOVCYNBO-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP CN(C[C@H]1CCC[N@@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545433 431153171 /nfs/dbraw/zinc/15/31/71/431153171.db2.gz FAEJTDZOVCYNBO-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP CN(C[C@H]1CCC[N@H+]1C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649545433 431153175 /nfs/dbraw/zinc/15/31/75/431153175.db2.gz FAEJTDZOVCYNBO-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)[C@H](C)C1 ZINC000666228925 431157693 /nfs/dbraw/zinc/15/76/93/431157693.db2.gz ZJUKJLKWKADNIC-TUVASFSCSA-N 2 1 304.425 2.757 20 0 DFADMP [NH3+]CC1(CC(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000662668676 431158407 /nfs/dbraw/zinc/15/84/07/431158407.db2.gz PAZCKKCPLZBVMY-MRXNPFEDSA-N 2 1 321.509 2.809 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[NH+](C3CCCC3)CC2)C1 ZINC000659946020 431204117 /nfs/dbraw/zinc/20/41/17/431204117.db2.gz YTTDRDIKDRHKSN-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[N@@H+](C3CCCC3)CC2)C1 ZINC000659946020 431204122 /nfs/dbraw/zinc/20/41/22/431204122.db2.gz YTTDRDIKDRHKSN-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000659946020 431204125 /nfs/dbraw/zinc/20/41/25/431204125.db2.gz YTTDRDIKDRHKSN-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662824086 431206742 /nfs/dbraw/zinc/20/67/42/431206742.db2.gz AXNJWSNLWJAHBV-JQHSSLGASA-N 2 1 321.509 2.617 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000662845759 431213666 /nfs/dbraw/zinc/21/36/66/431213666.db2.gz KOYPONXPBDCFAU-DOMZBBRYSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193827 431222212 /nfs/dbraw/zinc/22/22/12/431222212.db2.gz BAWBGPHSAAZCLB-DLBZAZTESA-N 2 1 321.509 2.761 20 0 DFADMP CC(C)[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCCO1 ZINC000646299620 431258298 /nfs/dbraw/zinc/25/82/98/431258298.db2.gz BUOWESYVDTUHGS-IBGZPJMESA-N 2 1 320.477 2.874 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662892894 431230068 /nfs/dbraw/zinc/23/00/68/431230068.db2.gz OMMZLIBIKHQZOS-OWCLPIDISA-N 2 1 320.481 2.763 20 0 DFADMP CCOC(=O)C1CCC([NH2+][C@@H](C)C[NH+]2CCCCCC2)CC1 ZINC000187625514 279532255 /nfs/dbraw/zinc/53/22/55/279532255.db2.gz OMGOWAQFXXUIST-GTPINHCMSA-N 2 1 310.482 2.962 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000646275470 431250953 /nfs/dbraw/zinc/25/09/53/431250953.db2.gz YYKCIEKHMDOQCJ-INMHGKMJSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000646275470 431250961 /nfs/dbraw/zinc/25/09/61/431250961.db2.gz YYKCIEKHMDOQCJ-INMHGKMJSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000660066380 431254590 /nfs/dbraw/zinc/25/45/90/431254590.db2.gz ZHZCXQOZSWZEKY-MSOLQXFVSA-N 2 1 308.441 2.958 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000660066380 431254596 /nfs/dbraw/zinc/25/45/96/431254596.db2.gz ZHZCXQOZSWZEKY-MSOLQXFVSA-N 2 1 308.441 2.958 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000660118448 431276350 /nfs/dbraw/zinc/27/63/50/431276350.db2.gz UYOOKTZGWVLOOS-WJFTUGDTSA-N 2 1 324.509 2.765 20 0 DFADMP C[N@@H+](C[C@@H]1CC[C@H]2C[C@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660140647 431288166 /nfs/dbraw/zinc/28/81/66/431288166.db2.gz MTJYXBDHXJSTMN-NTDBWNAOSA-N 2 1 305.510 2.523 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000653176118 431293505 /nfs/dbraw/zinc/29/35/05/431293505.db2.gz KNROBPHAQPEGEG-KRWDZBQOSA-N 2 1 319.493 2.807 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000660152594 431294585 /nfs/dbraw/zinc/29/45/85/431294585.db2.gz AUCKSFQVSBQQIR-BZUAXINKSA-N 2 1 317.468 2.626 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000653200889 431306235 /nfs/dbraw/zinc/30/62/35/431306235.db2.gz TTYCIMUJRTWMKL-JKSUJKDBSA-N 2 1 309.498 2.665 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1CCCCC1 ZINC000653200633 431306722 /nfs/dbraw/zinc/30/67/22/431306722.db2.gz KZAJUVBXPNHEGX-DOTOQJQBSA-N 2 1 311.514 2.767 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C1(C2CCC2)CC1 ZINC000649811143 431307167 /nfs/dbraw/zinc/30/71/67/431307167.db2.gz GZLHIFNDTQWPFR-UHFFFAOYSA-N 2 1 300.446 2.941 20 0 DFADMP COc1c(C)ncnc1NCCC[N@H+]1CCc2ccccc2C1 ZINC000656107986 431263339 /nfs/dbraw/zinc/26/33/39/431263339.db2.gz HNRXXTSLFFVLRQ-UHFFFAOYSA-N 2 1 312.417 2.654 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@H](C3CC3)[NH2+]2)C1 ZINC000653119522 431271441 /nfs/dbraw/zinc/27/14/41/431271441.db2.gz MNCJMUZOBAOYOA-OIISXLGYSA-N 2 1 321.509 2.534 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344366 431372887 /nfs/dbraw/zinc/37/28/87/431372887.db2.gz SAVPQFLVGXBIQO-QGZVFWFLSA-N 2 1 304.482 2.751 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344366 431372892 /nfs/dbraw/zinc/37/28/92/431372892.db2.gz SAVPQFLVGXBIQO-QGZVFWFLSA-N 2 1 304.482 2.751 20 0 DFADMP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC000660248264 431341794 /nfs/dbraw/zinc/34/17/94/431341794.db2.gz NTUKQPTYFTVCAN-WDYCEAGBSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC000660248264 431341802 /nfs/dbraw/zinc/34/18/02/431341802.db2.gz NTUKQPTYFTVCAN-WDYCEAGBSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@H](C)C[NH+]2C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000660248264 431341808 /nfs/dbraw/zinc/34/18/08/431341808.db2.gz NTUKQPTYFTVCAN-WDYCEAGBSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@H](C)C[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000660248264 431341816 /nfs/dbraw/zinc/34/18/16/431341816.db2.gz NTUKQPTYFTVCAN-WDYCEAGBSA-N 2 1 320.477 2.779 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660248524 431343094 /nfs/dbraw/zinc/34/30/94/431343094.db2.gz ICVIAKFXBGLQFE-MJGOQNOKSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660248524 431343098 /nfs/dbraw/zinc/34/30/98/431343098.db2.gz ICVIAKFXBGLQFE-MJGOQNOKSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660248524 431343104 /nfs/dbraw/zinc/34/31/04/431343104.db2.gz ICVIAKFXBGLQFE-MJGOQNOKSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660248524 431343108 /nfs/dbraw/zinc/34/31/08/431343108.db2.gz ICVIAKFXBGLQFE-MJGOQNOKSA-N 2 1 304.478 2.794 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769750 431350161 /nfs/dbraw/zinc/35/01/61/431350161.db2.gz FDXWYHQWQZMRSM-CVEARBPZSA-N 2 1 306.450 2.757 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1 ZINC000646651060 431359642 /nfs/dbraw/zinc/35/96/42/431359642.db2.gz QHILJBCJADEIAJ-GOSISDBHSA-N 2 1 317.477 2.790 20 0 DFADMP COc1cc2cc[nH+]c(N[C@H]3CCc4[nH+]ccn4C3)c2cc1OC ZINC000663451342 431425964 /nfs/dbraw/zinc/42/59/64/431425964.db2.gz IOUKSMHRHDTMDO-ZDUSSCGKSA-N 2 1 324.384 2.875 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525838 431419873 /nfs/dbraw/zinc/41/98/73/431419873.db2.gz INIBHCIDVBNFDU-RBUKOAKNSA-N 2 1 304.478 2.562 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525838 431419884 /nfs/dbraw/zinc/41/98/84/431419884.db2.gz INIBHCIDVBNFDU-RBUKOAKNSA-N 2 1 304.478 2.562 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](Cc2ccc(C)cc2)C1 ZINC000653525838 431419890 /nfs/dbraw/zinc/41/98/90/431419890.db2.gz INIBHCIDVBNFDU-RBUKOAKNSA-N 2 1 304.478 2.562 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663344279 431373370 /nfs/dbraw/zinc/37/33/70/431373370.db2.gz QQBJSZKHWYLSKP-INIZCTEOSA-N 2 1 316.493 2.986 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663344279 431373376 /nfs/dbraw/zinc/37/33/76/431373376.db2.gz QQBJSZKHWYLSKP-INIZCTEOSA-N 2 1 316.493 2.986 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCC23CCOCC3)C[C@H](C)O1 ZINC000367066095 288160081 /nfs/dbraw/zinc/16/00/81/288160081.db2.gz LODQSPCBRBWGOC-FGTMMUONSA-N 2 1 324.509 2.815 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1OC ZINC000663347667 431377266 /nfs/dbraw/zinc/37/72/66/431377266.db2.gz RRRGNFYLLLUWPX-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1OC ZINC000663347667 431377271 /nfs/dbraw/zinc/37/72/71/431377271.db2.gz RRRGNFYLLLUWPX-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)c1 ZINC000656441412 431384418 /nfs/dbraw/zinc/38/44/18/431384418.db2.gz JAIFPDPKWWMSQN-CQSZACIVSA-N 2 1 319.840 2.674 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)c1 ZINC000656441412 431384425 /nfs/dbraw/zinc/38/44/25/431384425.db2.gz JAIFPDPKWWMSQN-CQSZACIVSA-N 2 1 319.840 2.674 20 0 DFADMP C[N@@H+](CC1CC=CC1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334439 431385982 /nfs/dbraw/zinc/38/59/82/431385982.db2.gz MCRDWLBMKNLAHG-IBGZPJMESA-N 2 1 300.446 2.521 20 0 DFADMP C[N@H+](CC1CC=CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334439 431385986 /nfs/dbraw/zinc/38/59/86/431385986.db2.gz MCRDWLBMKNLAHG-IBGZPJMESA-N 2 1 300.446 2.521 20 0 DFADMP C[N@@H+](CC1CC=CC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334439 431385989 /nfs/dbraw/zinc/38/59/89/431385989.db2.gz MCRDWLBMKNLAHG-IBGZPJMESA-N 2 1 300.446 2.521 20 0 DFADMP C[NH+](CC1CC=CC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334439 431385993 /nfs/dbraw/zinc/38/59/93/431385993.db2.gz MCRDWLBMKNLAHG-IBGZPJMESA-N 2 1 300.446 2.521 20 0 DFADMP C[NH+](CC1CC=CC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334439 431385999 /nfs/dbraw/zinc/38/59/99/431385999.db2.gz MCRDWLBMKNLAHG-IBGZPJMESA-N 2 1 300.446 2.521 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666858055 431386474 /nfs/dbraw/zinc/38/64/74/431386474.db2.gz VJHQZEPUIYRBQX-MRXNPFEDSA-N 2 1 302.397 2.552 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000666856636 431386629 /nfs/dbraw/zinc/38/66/29/431386629.db2.gz VRZQHTLJJNFRGM-SFHVURJKSA-N 2 1 311.429 2.892 20 0 DFADMP Clc1ccc(-n2cc(C[NH2+][C@@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000666855408 431386964 /nfs/dbraw/zinc/38/69/64/431386964.db2.gz QDTWWQITULWUTB-OAHLLOKOSA-N 2 1 304.825 2.757 20 0 DFADMP CCC(CC)(C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000663381038 431395612 /nfs/dbraw/zinc/39/56/12/431395612.db2.gz YBNBUYLUFSXFAL-GOSISDBHSA-N 2 1 322.468 2.928 20 0 DFADMP CCC(CC)(C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000663381038 431395620 /nfs/dbraw/zinc/39/56/20/431395620.db2.gz YBNBUYLUFSXFAL-GOSISDBHSA-N 2 1 322.468 2.928 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653493080 431399557 /nfs/dbraw/zinc/39/95/57/431399557.db2.gz JDZMOYCZMLDHAN-UHFFFAOYSA-N 3 1 318.509 2.941 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C3CC4(CCC4)C3)C2)nc(C)[nH+]1 ZINC000656497122 431411525 /nfs/dbraw/zinc/41/15/25/431411525.db2.gz NPLDPHYIBFXSSN-OAHLLOKOSA-N 2 1 300.450 2.985 20 0 DFADMP [NH3+]CC12CC(C1)CN2c1cc[nH+]c2ccc(Br)cc21 ZINC000656610841 431449302 /nfs/dbraw/zinc/44/93/02/431449302.db2.gz MRUCCRXFVANAGB-UHFFFAOYSA-N 2 1 318.218 2.925 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000660475950 431449530 /nfs/dbraw/zinc/44/95/30/431449530.db2.gz ZZLJUSIVBHIMDV-WMZOPIPTSA-N 2 1 318.461 2.943 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000647084389 431456066 /nfs/dbraw/zinc/45/60/66/431456066.db2.gz WPVZNUQWDGXZGG-AEFFLSMTSA-N 2 1 317.477 2.630 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@H]2C)o1 ZINC000650150335 431457593 /nfs/dbraw/zinc/45/75/93/431457593.db2.gz SYMZSZWNUGAIJZ-QLFBSQMISA-N 2 1 321.465 2.675 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)[nH+]1 ZINC000663539873 431460800 /nfs/dbraw/zinc/46/08/00/431460800.db2.gz OCTBGMKNSICACZ-KRWDZBQOSA-N 2 1 317.477 2.975 20 0 DFADMP Cn1cncc1CCC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613415 431460847 /nfs/dbraw/zinc/46/08/47/431460847.db2.gz JMQZAQMDELRNLM-QGZVFWFLSA-N 2 1 303.381 2.645 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000653613415 431460858 /nfs/dbraw/zinc/46/08/58/431460858.db2.gz JMQZAQMDELRNLM-QGZVFWFLSA-N 2 1 303.381 2.645 20 0 DFADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nccc(N)n2)CC1 ZINC000653612271 431461330 /nfs/dbraw/zinc/46/13/30/431461330.db2.gz GVHSMWHJIOJVLT-HNNXBMFYSA-N 2 1 319.497 2.954 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc([C@H]2CCC[NH2+]2)no1 ZINC000647144817 431476332 /nfs/dbraw/zinc/47/63/32/431476332.db2.gz GQZSBIJDGQIMCL-FVQBIDKESA-N 2 1 312.417 2.730 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+](C)CC(C)C)c1ccccc1 ZINC000650180386 431479534 /nfs/dbraw/zinc/47/95/34/431479534.db2.gz SBLGHHNMHSNPKK-SFHVURJKSA-N 2 1 319.493 2.774 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCCC[N@H+](C)CC(C)C)c1ccccc1 ZINC000650180386 431479538 /nfs/dbraw/zinc/47/95/38/431479538.db2.gz SBLGHHNMHSNPKK-SFHVURJKSA-N 2 1 319.493 2.774 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)CC(C)C)c1ccccc1 ZINC000650180386 431479545 /nfs/dbraw/zinc/47/95/45/431479545.db2.gz SBLGHHNMHSNPKK-SFHVURJKSA-N 2 1 319.493 2.774 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)ccc1O ZINC000656557176 431427464 /nfs/dbraw/zinc/42/74/64/431427464.db2.gz YSRCGWMXSPCALE-OAHLLOKOSA-N 2 1 315.417 2.682 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)ccc1O ZINC000656557176 431427472 /nfs/dbraw/zinc/42/74/72/431427472.db2.gz YSRCGWMXSPCALE-OAHLLOKOSA-N 2 1 315.417 2.682 20 0 DFADMP FCCOCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000663463103 431428932 /nfs/dbraw/zinc/42/89/32/431428932.db2.gz WKYKJFXEPVKJAL-GBESFXJTSA-N 2 1 320.452 2.863 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656783358 431520142 /nfs/dbraw/zinc/52/01/42/431520142.db2.gz PWJALFULLALBTF-SFHVURJKSA-N 2 1 316.493 2.749 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000656783897 431520185 /nfs/dbraw/zinc/52/01/85/431520185.db2.gz BCNGMTIHNOSSTA-GOSISDBHSA-N 2 1 300.446 2.833 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782406 431520509 /nfs/dbraw/zinc/52/05/09/431520509.db2.gz GAVFFRCMSQKRAC-KRWDZBQOSA-N 2 1 304.482 2.984 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000653776341 431521002 /nfs/dbraw/zinc/52/10/02/431521002.db2.gz AIMOCFADBXGEAM-IBGZPJMESA-N 2 1 316.489 2.570 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000653776341 431521010 /nfs/dbraw/zinc/52/10/10/431521010.db2.gz AIMOCFADBXGEAM-IBGZPJMESA-N 2 1 316.489 2.570 20 0 DFADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000656787687 431523352 /nfs/dbraw/zinc/52/33/52/431523352.db2.gz RIANWOFARRJVRO-ZNMIVQPWSA-N 2 1 307.869 2.754 20 0 DFADMP c1ccc([C@H]2CCNC[C@H]2[NH2+]Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000656789487 431524841 /nfs/dbraw/zinc/52/48/41/431524841.db2.gz OSOSITXFMAJGTE-NHCUHLMSSA-N 2 1 321.468 2.568 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249140 431528032 /nfs/dbraw/zinc/52/80/32/431528032.db2.gz DRBUQBJMUPLIAL-HCXYKTFWSA-N 2 1 302.462 2.879 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660651491 431528784 /nfs/dbraw/zinc/52/87/84/431528784.db2.gz AMMNRYRRJTUBAA-NTDBWNAOSA-N 2 1 321.509 2.582 20 0 DFADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647248875 431529224 /nfs/dbraw/zinc/52/92/24/431529224.db2.gz LTYKWQJSJJNNON-APWZRJJASA-N 2 1 314.429 2.861 20 0 DFADMP COCc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)o1 ZINC000647248875 431529231 /nfs/dbraw/zinc/52/92/31/431529231.db2.gz LTYKWQJSJJNNON-APWZRJJASA-N 2 1 314.429 2.861 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700351 431486903 /nfs/dbraw/zinc/48/69/03/431486903.db2.gz HRHLOXAZFZAGOT-ROUUACIJSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700351 431486907 /nfs/dbraw/zinc/48/69/07/431486907.db2.gz HRHLOXAZFZAGOT-ROUUACIJSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700351 431486913 /nfs/dbraw/zinc/48/69/13/431486913.db2.gz HRHLOXAZFZAGOT-ROUUACIJSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccc(F)cc1 ZINC000656700351 431486921 /nfs/dbraw/zinc/48/69/21/431486921.db2.gz HRHLOXAZFZAGOT-ROUUACIJSA-N 2 1 308.441 2.534 20 0 DFADMP CC[C@H](c1ccccc1OC)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660559252 431489741 /nfs/dbraw/zinc/48/97/41/431489741.db2.gz VLIBUOVYKVBQCL-NVXWUHKLSA-N 2 1 308.466 2.779 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(-c2ccccc2C)c1 ZINC000647172822 431491059 /nfs/dbraw/zinc/49/10/59/431491059.db2.gz KIWSFYYYGPMROR-UHFFFAOYSA-N 2 1 309.417 2.866 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000647172456 431491183 /nfs/dbraw/zinc/49/11/83/431491183.db2.gz XOZGANHQVOBLTO-HOTGVXAUSA-N 2 1 314.433 2.705 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000647172456 431491192 /nfs/dbraw/zinc/49/11/92/431491192.db2.gz XOZGANHQVOBLTO-HOTGVXAUSA-N 2 1 314.433 2.705 20 0 DFADMP C[C@@](O)(C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647182746 431500035 /nfs/dbraw/zinc/50/00/35/431500035.db2.gz QUHJIEFPSKJHNO-RBUKOAKNSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@](O)(C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647182746 431500041 /nfs/dbraw/zinc/50/00/41/431500041.db2.gz QUHJIEFPSKJHNO-RBUKOAKNSA-N 2 1 314.473 2.934 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647189344 431502231 /nfs/dbraw/zinc/50/22/31/431502231.db2.gz PSEPCLNBHZBNIJ-KRWDZBQOSA-N 2 1 300.446 2.546 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647189344 431502234 /nfs/dbraw/zinc/50/22/34/431502234.db2.gz PSEPCLNBHZBNIJ-KRWDZBQOSA-N 2 1 300.446 2.546 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762169 431515268 /nfs/dbraw/zinc/51/52/68/431515268.db2.gz YYAQTPDWZMGZSF-MSOLQXFVSA-N 2 1 302.462 2.569 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762169 431515278 /nfs/dbraw/zinc/51/52/78/431515278.db2.gz YYAQTPDWZMGZSF-MSOLQXFVSA-N 2 1 302.462 2.569 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762169 431515294 /nfs/dbraw/zinc/51/52/94/431515294.db2.gz YYAQTPDWZMGZSF-MSOLQXFVSA-N 2 1 302.462 2.569 20 0 DFADMP CC(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(O)c(=O)c1 ZINC000663828333 431557286 /nfs/dbraw/zinc/55/72/86/431557286.db2.gz QQFWECDTGYSSPJ-UHFFFAOYSA-N 2 1 318.461 2.649 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000647344009 431558320 /nfs/dbraw/zinc/55/83/20/431558320.db2.gz HNNFDVALCXXIJO-NZSAHSFTSA-N 2 1 312.461 2.806 20 0 DFADMP COC[C@@H](CC(C)C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344528 431558633 /nfs/dbraw/zinc/55/86/33/431558633.db2.gz SUMZIHITCDCHJC-QRVBRYPASA-N 2 1 304.478 2.983 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCc1ccc3c(c1)CCO3)C2 ZINC000660659324 431537757 /nfs/dbraw/zinc/53/77/57/431537757.db2.gz OCXFLORAKIWUKO-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000660659324 431537763 /nfs/dbraw/zinc/53/77/63/431537763.db2.gz OCXFLORAKIWUKO-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCc1ccc3c(c1)CCO3)C2 ZINC000660659324 431537770 /nfs/dbraw/zinc/53/77/70/431537770.db2.gz OCXFLORAKIWUKO-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660662412 431538715 /nfs/dbraw/zinc/53/87/15/431538715.db2.gz KAIKANAVIDGEKM-MTGFJVSHSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660662412 431538719 /nfs/dbraw/zinc/53/87/19/431538719.db2.gz KAIKANAVIDGEKM-MTGFJVSHSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660662412 431538724 /nfs/dbraw/zinc/53/87/24/431538724.db2.gz KAIKANAVIDGEKM-MTGFJVSHSA-N 2 1 315.461 2.911 20 0 DFADMP CSc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CCO)CC1)CCC2 ZINC000647296329 431542697 /nfs/dbraw/zinc/54/26/97/431542697.db2.gz BKJRYBXSMIVEJE-SFHVURJKSA-N 2 1 320.502 2.832 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000647314135 431546487 /nfs/dbraw/zinc/54/64/87/431546487.db2.gz YZAFPDATLCXJOG-KFWWJZLASA-N 2 1 306.475 2.860 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H](C)C1 ZINC000647339158 431555652 /nfs/dbraw/zinc/55/56/52/431555652.db2.gz JYXCCCKZMFLKLZ-VDHUWJSZSA-N 2 1 303.450 2.622 20 0 DFADMP CC[C@@H](c1ccccc1F)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000368799234 280218846 /nfs/dbraw/zinc/21/88/46/280218846.db2.gz VNWCXDPZJNNSKA-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CC2CCCC2)CC1 ZINC000653894077 431573187 /nfs/dbraw/zinc/57/31/87/431573187.db2.gz UBEGQAQKNURXNY-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000647479554 431602833 /nfs/dbraw/zinc/60/28/33/431602833.db2.gz LJJPGCRAZINIJH-WBVHZDCISA-N 2 1 303.450 2.671 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000647479554 431602840 /nfs/dbraw/zinc/60/28/40/431602840.db2.gz LJJPGCRAZINIJH-WBVHZDCISA-N 2 1 303.450 2.671 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000647480576 431603472 /nfs/dbraw/zinc/60/34/72/431603472.db2.gz RPIPZYVPNRAHIZ-FUHWJXTLSA-N 2 1 304.482 2.874 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000647480576 431603478 /nfs/dbraw/zinc/60/34/78/431603478.db2.gz RPIPZYVPNRAHIZ-FUHWJXTLSA-N 2 1 304.482 2.874 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480621 431604198 /nfs/dbraw/zinc/60/41/98/431604198.db2.gz VHMZCPHSIBOVSG-NVXWUHKLSA-N 2 1 311.429 2.904 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)C1 ZINC000650707007 431652596 /nfs/dbraw/zinc/65/25/96/431652596.db2.gz WUFNUKZMHGNEMZ-IIAWOOMASA-N 2 1 321.490 2.739 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)C1 ZINC000650706631 431652765 /nfs/dbraw/zinc/65/27/65/431652765.db2.gz OSCJVWXTBRYCTR-XGWLTEMNSA-N 2 1 310.388 2.683 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657294082 431654174 /nfs/dbraw/zinc/65/41/74/431654174.db2.gz CLHYOKBQXKKUNR-IBGZPJMESA-N 2 1 318.461 2.818 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000650706397 431655070 /nfs/dbraw/zinc/65/50/70/431655070.db2.gz JRRLORKYYZXBPK-XUVXKRRUSA-N 2 1 314.473 2.894 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000650709511 431655801 /nfs/dbraw/zinc/65/58/01/431655801.db2.gz CKXJPZLNJXOHIT-YOEHRIQHSA-N 2 1 300.406 2.539 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000650709521 431656123 /nfs/dbraw/zinc/65/61/23/431656123.db2.gz DHRKGIYTKLDGOJ-PXNSSMCTSA-N 2 1 324.472 2.956 20 0 DFADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711012 431656579 /nfs/dbraw/zinc/65/65/79/431656579.db2.gz GHVJVOWTMWXUQG-WMLDXEAASA-N 2 1 313.449 2.525 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1CC[NH3+] ZINC000650710888 431656808 /nfs/dbraw/zinc/65/68/08/431656808.db2.gz BTQNNKCEQYCMMN-RDTXWAMCSA-N 2 1 315.461 2.528 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)[C@@H]1CC[NH3+] ZINC000650711026 431657178 /nfs/dbraw/zinc/65/71/78/431657178.db2.gz GOYKEANZEWAESZ-GDBMZVCRSA-N 2 1 304.434 2.797 20 0 DFADMP Cc1cc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711011 431658160 /nfs/dbraw/zinc/65/81/60/431658160.db2.gz GHVJVOWTMWXUQG-RHSMWYFYSA-N 2 1 313.449 2.525 20 0 DFADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000647493833 431605926 /nfs/dbraw/zinc/60/59/26/431605926.db2.gz ZCDGUAZYSFDZCY-ZBFHGGJFSA-N 2 1 306.450 2.914 20 0 DFADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000647493833 431605933 /nfs/dbraw/zinc/60/59/33/431605933.db2.gz ZCDGUAZYSFDZCY-ZBFHGGJFSA-N 2 1 306.450 2.914 20 0 DFADMP CCCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](OCC)C2)cc1 ZINC000650715214 431662080 /nfs/dbraw/zinc/66/20/80/431662080.db2.gz VBWWHPABZVWWDT-SJLPKXTDSA-N 2 1 306.450 2.661 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000647498199 431606221 /nfs/dbraw/zinc/60/62/21/431606221.db2.gz COTGPVUYRREAGP-GXTWGEPZSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000647498199 431606226 /nfs/dbraw/zinc/60/62/26/431606226.db2.gz COTGPVUYRREAGP-GXTWGEPZSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000647498202 431606615 /nfs/dbraw/zinc/60/66/15/431606615.db2.gz COTGPVUYRREAGP-TZMCWYRMSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@H]1[NH3+] ZINC000647498202 431606631 /nfs/dbraw/zinc/60/66/31/431606631.db2.gz COTGPVUYRREAGP-TZMCWYRMSA-N 2 1 302.447 2.764 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000647496842 431607061 /nfs/dbraw/zinc/60/70/61/431607061.db2.gz XUVWSNOGDAJOGY-UKRRQHHQSA-N 2 1 314.433 2.645 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC[C@@H]1[NH3+] ZINC000647498624 431608916 /nfs/dbraw/zinc/60/89/16/431608916.db2.gz LHXBUMYBUSWVKG-AHIWAGSCSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)cc3c2O[C@@H](C)C3)CC[C@@H]1[NH3+] ZINC000647498624 431608920 /nfs/dbraw/zinc/60/89/20/431608920.db2.gz LHXBUMYBUSWVKG-AHIWAGSCSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000647498707 431609323 /nfs/dbraw/zinc/60/93/23/431609323.db2.gz NUMPPVUFXBOQBX-TZMCWYRMSA-N 2 1 304.463 2.708 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000647498707 431609330 /nfs/dbraw/zinc/60/93/30/431609330.db2.gz NUMPPVUFXBOQBX-TZMCWYRMSA-N 2 1 304.463 2.708 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000647513946 431611198 /nfs/dbraw/zinc/61/11/98/431611198.db2.gz WMYBFDPYPFCBGE-SFHVURJKSA-N 2 1 301.478 2.502 20 0 DFADMP C[C@@H]1CCN(Cc2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000647515606 431611310 /nfs/dbraw/zinc/61/13/10/431611310.db2.gz PVYGOJUCOFZZDE-QGZVFWFLSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000647533549 431618927 /nfs/dbraw/zinc/61/89/27/431618927.db2.gz UIJQPPTUIJUZAA-RTBURBONSA-N 2 1 315.505 2.828 20 0 DFADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542761 431621207 /nfs/dbraw/zinc/62/12/07/431621207.db2.gz BNWGGKISVOBOTC-DLBZAZTESA-N 2 1 304.482 2.850 20 0 DFADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C1 ZINC000647549163 431629123 /nfs/dbraw/zinc/62/91/23/431629123.db2.gz KOLRLKXQLDFMAG-HUUCEWRRSA-N 2 1 322.880 2.976 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccccc1C[NH2+]C ZINC000647656889 431647998 /nfs/dbraw/zinc/64/79/98/431647998.db2.gz HIXRFDKWHPUAIL-CYBMUJFWSA-N 2 1 300.406 2.755 20 0 DFADMP CCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650723757 431665857 /nfs/dbraw/zinc/66/58/57/431665857.db2.gz SXCMOIWYHKVZPB-YUELXQCFSA-N 2 1 309.479 2.566 20 0 DFADMP CCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650723757 431665861 /nfs/dbraw/zinc/66/58/61/431665861.db2.gz SXCMOIWYHKVZPB-YUELXQCFSA-N 2 1 309.479 2.566 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000650722697 431666412 /nfs/dbraw/zinc/66/64/12/431666412.db2.gz ZYPOYWBHRKRZOH-NXHRZFHOSA-N 2 1 304.434 2.556 20 0 DFADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723339 431666728 /nfs/dbraw/zinc/66/67/28/431666728.db2.gz LUBUNKUCPJYZAG-YUELXQCFSA-N 2 1 309.479 2.566 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000657312917 431670744 /nfs/dbraw/zinc/67/07/44/431670744.db2.gz MDYFZFSNLGWGDD-GUDVDZBRSA-N 2 1 316.445 2.571 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000657312917 431670751 /nfs/dbraw/zinc/67/07/51/431670751.db2.gz MDYFZFSNLGWGDD-GUDVDZBRSA-N 2 1 316.445 2.571 20 0 DFADMP C[C@H](C[NH2+]Cc1c(C2CCC2)cnn1C)C[NH+]1CCCCC1 ZINC000657317157 431672632 /nfs/dbraw/zinc/67/26/32/431672632.db2.gz SCTDRNFAXLELTC-OAHLLOKOSA-N 2 1 304.482 2.899 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744376 431675996 /nfs/dbraw/zinc/67/59/96/431675996.db2.gz MQUWYSHFEIFFAF-SJLPKXTDSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744376 431676001 /nfs/dbraw/zinc/67/60/01/431676001.db2.gz MQUWYSHFEIFFAF-SJLPKXTDSA-N 2 1 301.478 2.616 20 0 DFADMP Fc1ccc([C@@H](NCc2cnc3n2CCC3)[C@@H]2CCCO2)cc1 ZINC000657334515 431684508 /nfs/dbraw/zinc/68/45/08/431684508.db2.gz CDSRLCJLDYZOIL-FUHWJXTLSA-N 2 1 315.392 2.978 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000647788623 431688159 /nfs/dbraw/zinc/68/81/59/431688159.db2.gz NINXAKLVXNUSHX-OKYOBFRVSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657348180 431692702 /nfs/dbraw/zinc/69/27/02/431692702.db2.gz NAIALWKLJHPXKX-OAHLLOKOSA-N 2 1 304.482 2.898 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657348180 431692709 /nfs/dbraw/zinc/69/27/09/431692709.db2.gz NAIALWKLJHPXKX-OAHLLOKOSA-N 2 1 304.482 2.898 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1cccc(C(F)(F)F)n1 ZINC000664195922 431693296 /nfs/dbraw/zinc/69/32/96/431693296.db2.gz OGEBNDCZYFGJEK-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1cccc(C(F)(F)F)n1 ZINC000664195922 431693303 /nfs/dbraw/zinc/69/33/03/431693303.db2.gz OGEBNDCZYFGJEK-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP COc1ccc(OCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814537 431696700 /nfs/dbraw/zinc/69/67/00/431696700.db2.gz SLGFOTZBAAAHMD-UHFFFAOYSA-N 2 1 304.434 2.681 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000647838025 431704118 /nfs/dbraw/zinc/70/41/18/431704118.db2.gz HMRCOUOQSLPUHE-HNNXBMFYSA-N 2 1 320.481 2.825 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C(F)(F)F)nn1C ZINC000657374723 431707532 /nfs/dbraw/zinc/70/75/32/431707532.db2.gz PZERCSNQNFFDBO-UHFFFAOYSA-N 2 1 315.343 2.514 20 0 DFADMP CC1([NH3+])CC[NH+](CCOc2cccc(Br)c2)CC1 ZINC000647924778 431731659 /nfs/dbraw/zinc/73/16/59/431731659.db2.gz JOCQXNLHFLPBRA-UHFFFAOYSA-N 2 1 313.239 2.641 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937435 431735807 /nfs/dbraw/zinc/73/58/07/431735807.db2.gz ZBWBEWDGWXNNBS-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP CC[C@@H]1C[N@@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)CC[C@H]1[NH3+] ZINC000647938566 431740980 /nfs/dbraw/zinc/74/09/80/431740980.db2.gz PVUPYHZGHBKKKD-KBAYOESNSA-N 2 1 317.477 2.655 20 0 DFADMP CC[C@@H]1C[N@H+]([C@@H](C(=O)N(CC)CC)c2ccccc2)CC[C@H]1[NH3+] ZINC000647938566 431740987 /nfs/dbraw/zinc/74/09/87/431740987.db2.gz PVUPYHZGHBKKKD-KBAYOESNSA-N 2 1 317.477 2.655 20 0 DFADMP CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cnc3n1CCC3)CCO2 ZINC000657437755 431750913 /nfs/dbraw/zinc/75/09/13/431750913.db2.gz UMRHBQIBPYVODP-MRXNPFEDSA-N 2 1 313.401 2.841 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000647960159 431751397 /nfs/dbraw/zinc/75/13/97/431751397.db2.gz JEDKKZRKVQEENB-VQTJNVASSA-N 2 1 318.505 2.957 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000647960159 431751403 /nfs/dbraw/zinc/75/14/03/431751403.db2.gz JEDKKZRKVQEENB-VQTJNVASSA-N 2 1 318.505 2.957 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000647960159 431751406 /nfs/dbraw/zinc/75/14/06/431751406.db2.gz JEDKKZRKVQEENB-VQTJNVASSA-N 2 1 318.505 2.957 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000647957107 431752430 /nfs/dbraw/zinc/75/24/30/431752430.db2.gz RCQWEFRZLRNROB-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000647960160 431752649 /nfs/dbraw/zinc/75/26/49/431752649.db2.gz JEDKKZRKVQEENB-WOJBJXKFSA-N 2 1 318.505 2.957 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000647960160 431752653 /nfs/dbraw/zinc/75/26/53/431752653.db2.gz JEDKKZRKVQEENB-WOJBJXKFSA-N 2 1 318.505 2.957 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000647960160 431752657 /nfs/dbraw/zinc/75/26/57/431752657.db2.gz JEDKKZRKVQEENB-WOJBJXKFSA-N 2 1 318.505 2.957 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]Cc1cnc(C)n1C ZINC000657440805 431753093 /nfs/dbraw/zinc/75/30/93/431753093.db2.gz WSEIQQPPHPKBQW-UHFFFAOYSA-N 2 1 324.222 2.789 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCC[C@@H](O)C3)C2)[nH+]1 ZINC000647964764 431753872 /nfs/dbraw/zinc/75/38/72/431753872.db2.gz ZXAHGSMJHALMBX-IXDOHACOSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCC[C@@H](O)C3)C2)[nH+]1 ZINC000647964764 431753879 /nfs/dbraw/zinc/75/38/79/431753879.db2.gz ZXAHGSMJHALMBX-IXDOHACOSA-N 2 1 303.450 2.675 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964152 431754318 /nfs/dbraw/zinc/75/43/18/431754318.db2.gz VJCKSAOBOBXKNS-MOPGFXCFSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964152 431754324 /nfs/dbraw/zinc/75/43/24/431754324.db2.gz VJCKSAOBOBXKNS-MOPGFXCFSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964152 431754329 /nfs/dbraw/zinc/75/43/29/431754329.db2.gz VJCKSAOBOBXKNS-MOPGFXCFSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964152 431754333 /nfs/dbraw/zinc/75/43/33/431754333.db2.gz VJCKSAOBOBXKNS-MOPGFXCFSA-N 2 1 304.478 2.741 20 0 DFADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977995 431761568 /nfs/dbraw/zinc/76/15/68/431761568.db2.gz KTOQTNBTLVAEPG-GJZGRUSLSA-N 2 1 303.450 2.765 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976333 431762180 /nfs/dbraw/zinc/76/21/80/431762180.db2.gz NGNGIPLWKIOWAZ-DLBZAZTESA-N 2 1 318.461 2.786 20 0 DFADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975730 431762427 /nfs/dbraw/zinc/76/24/27/431762427.db2.gz FJLPIKDCKYMDMZ-KGLIPLIRSA-N 2 1 306.454 2.579 20 0 DFADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975730 431762430 /nfs/dbraw/zinc/76/24/30/431762430.db2.gz FJLPIKDCKYMDMZ-KGLIPLIRSA-N 2 1 306.454 2.579 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977883 431762504 /nfs/dbraw/zinc/76/25/04/431762504.db2.gz JKHAOGHACCWSSG-SJORKVTESA-N 2 1 318.461 2.786 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)co1 ZINC000647977773 431762914 /nfs/dbraw/zinc/76/29/14/431762914.db2.gz HMLKRPKHDQWCAD-KBPBESRZSA-N 2 1 316.405 2.541 20 0 DFADMP FC(F)(F)CO[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647879809 431717002 /nfs/dbraw/zinc/71/70/02/431717002.db2.gz ATDFQSSLHHYPDB-CQSZACIVSA-N 2 1 308.388 2.810 20 0 DFADMP c1cc2c(nc[nH+]c2NCC2CC[NH+](Cc3ccncc3)CC2)[nH]1 ZINC000664282844 431723057 /nfs/dbraw/zinc/72/30/57/431723057.db2.gz IQXPPTWKFORFLW-UHFFFAOYSA-N 2 1 322.416 2.677 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccnc3ccccc13)CCO2 ZINC000648071883 431809283 /nfs/dbraw/zinc/80/92/83/431809283.db2.gz ZLKUCPJJHDPKSH-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564704 431809630 /nfs/dbraw/zinc/80/96/30/431809630.db2.gz YSXBNGUYUPEAOO-INIZCTEOSA-N 2 1 313.449 2.538 20 0 DFADMP c1nnc([C@@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1C1CC1 ZINC000647988468 431766757 /nfs/dbraw/zinc/76/67/57/431766757.db2.gz MVGGFQIAJGKXTN-MRXNPFEDSA-N 2 1 317.481 2.572 20 0 DFADMP COc1cccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647988451 431767016 /nfs/dbraw/zinc/76/70/16/431767016.db2.gz KXJHBNOPLHQFHG-LJQANCHMSA-N 2 1 318.461 2.848 20 0 DFADMP COc1cccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647988451 431767019 /nfs/dbraw/zinc/76/70/19/431767019.db2.gz KXJHBNOPLHQFHG-LJQANCHMSA-N 2 1 318.461 2.848 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000648006603 431774889 /nfs/dbraw/zinc/77/48/89/431774889.db2.gz OEOYHAOTZVUUIF-UHFFFAOYSA-N 2 1 316.449 2.762 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCCC3)CC2)CC1 ZINC000661228856 431785269 /nfs/dbraw/zinc/78/52/69/431785269.db2.gz WDXXQTVBYAOYJE-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C1 ZINC000657596605 431820315 /nfs/dbraw/zinc/82/03/15/431820315.db2.gz XSKMHHGLABMOLA-LPHOPBHVSA-N 2 1 300.446 2.699 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1(CO)CC1 ZINC000657603636 431824069 /nfs/dbraw/zinc/82/40/69/431824069.db2.gz PRJCVZAVPGRJAJ-MRXNPFEDSA-N 2 1 304.478 2.895 20 0 DFADMP C[N@@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000648162205 431829256 /nfs/dbraw/zinc/82/92/56/431829256.db2.gz OWYJKBVBGHHBDO-GOEBONIOSA-N 2 1 323.868 2.719 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000648162205 431829261 /nfs/dbraw/zinc/82/92/61/431829261.db2.gz OWYJKBVBGHHBDO-GOEBONIOSA-N 2 1 323.868 2.719 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)C2 ZINC000272240577 281117202 /nfs/dbraw/zinc/11/72/02/281117202.db2.gz GOVGBGABFXGYGA-DNVCBOLYSA-N 2 1 302.462 2.665 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cncn1C ZINC000153591180 289051803 /nfs/dbraw/zinc/05/18/03/289051803.db2.gz DYYZCNVPYMTPPO-HOTGVXAUSA-N 2 1 312.461 2.666 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000363335386 289078850 /nfs/dbraw/zinc/07/88/50/289078850.db2.gz PLIKQSNIZUPAQK-PBHICJAKSA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000363335386 289078851 /nfs/dbraw/zinc/07/88/51/289078851.db2.gz PLIKQSNIZUPAQK-PBHICJAKSA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000363335386 289078855 /nfs/dbraw/zinc/07/88/55/289078855.db2.gz PLIKQSNIZUPAQK-PBHICJAKSA-N 2 1 323.506 2.587 20 0 DFADMP Fc1ccccc1OCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414031 289091239 /nfs/dbraw/zinc/09/12/39/289091239.db2.gz JHAYLQMDSPJMNM-INMHGKMJSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414031 289091240 /nfs/dbraw/zinc/09/12/40/289091240.db2.gz JHAYLQMDSPJMNM-INMHGKMJSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414031 289091241 /nfs/dbraw/zinc/09/12/41/289091241.db2.gz JHAYLQMDSPJMNM-INMHGKMJSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414031 289091242 /nfs/dbraw/zinc/09/12/42/289091242.db2.gz JHAYLQMDSPJMNM-INMHGKMJSA-N 2 1 304.409 2.621 20 0 DFADMP c1ccc(-c2nnc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)o2)cc1 ZINC000363416363 289092047 /nfs/dbraw/zinc/09/20/47/289092047.db2.gz ZZTPBNNIYWCGQU-IKGGRYGDSA-N 2 1 324.428 2.653 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364155 289364863 /nfs/dbraw/zinc/36/48/63/289364863.db2.gz WRUDCBOIKNMEMT-FCGDIQPGSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359226053 290390821 /nfs/dbraw/zinc/39/08/21/290390821.db2.gz VPFDNQILOHTYNC-PKOBYXMFSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226053 290390826 /nfs/dbraw/zinc/39/08/26/290390826.db2.gz VPFDNQILOHTYNC-PKOBYXMFSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226053 290390828 /nfs/dbraw/zinc/39/08/28/290390828.db2.gz VPFDNQILOHTYNC-PKOBYXMFSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H](NCC1([NH+](C)C)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000437074376 297053627 /nfs/dbraw/zinc/05/36/27/297053627.db2.gz IREGACGGCCFTQJ-MRXNPFEDSA-N 2 1 319.493 2.762 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)OCC)[C@@H](C)C1 ZINC000437087237 297054112 /nfs/dbraw/zinc/05/41/12/297054112.db2.gz UTSQPZJZSIMVKB-HOTGVXAUSA-N 2 1 300.487 2.528 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437848970 297071891 /nfs/dbraw/zinc/07/18/91/297071891.db2.gz XILHEGPOVKHPFS-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848970 297071894 /nfs/dbraw/zinc/07/18/94/297071894.db2.gz XILHEGPOVKHPFS-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437848970 297071896 /nfs/dbraw/zinc/07/18/96/297071896.db2.gz XILHEGPOVKHPFS-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@@H]1CCC[NH+]1C1CC1 ZINC000437862579 297072301 /nfs/dbraw/zinc/07/23/01/297072301.db2.gz YBQIOQLTOYAEEQ-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000437862579 297072303 /nfs/dbraw/zinc/07/23/03/297072303.db2.gz YBQIOQLTOYAEEQ-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@@H]1CCC[N@H+]1C1CC1 ZINC000437862579 297072305 /nfs/dbraw/zinc/07/23/05/297072305.db2.gz YBQIOQLTOYAEEQ-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000437855606 297072483 /nfs/dbraw/zinc/07/24/83/297072483.db2.gz YORKRMSGBTVQJI-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437855606 297072485 /nfs/dbraw/zinc/07/24/85/297072485.db2.gz YORKRMSGBTVQJI-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437855606 297072487 /nfs/dbraw/zinc/07/24/87/297072487.db2.gz YORKRMSGBTVQJI-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000438109642 297080449 /nfs/dbraw/zinc/08/04/49/297080449.db2.gz LJMJFHFLOBBZJR-QGZVFWFLSA-N 2 1 320.481 2.551 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000296074761 295236301 /nfs/dbraw/zinc/23/63/01/295236301.db2.gz WWPHYSCSCLFWQY-WWTUQBGBSA-N 2 1 304.434 2.980 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccccn1 ZINC000154345438 295297468 /nfs/dbraw/zinc/29/74/68/295297468.db2.gz ZWOSWEQWXALVND-LJQANCHMSA-N 2 1 318.509 2.786 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOC[C@@H]3CCCO3)C2)CC1 ZINC000158058669 295357821 /nfs/dbraw/zinc/35/78/21/295357821.db2.gz HFYUBIKXOBKWTQ-OALUTQOASA-N 2 1 324.509 2.626 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOC[C@@H]3CCCO3)C2)CC1 ZINC000158058669 295357823 /nfs/dbraw/zinc/35/78/23/295357823.db2.gz HFYUBIKXOBKWTQ-OALUTQOASA-N 2 1 324.509 2.626 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147599 295359103 /nfs/dbraw/zinc/35/91/03/295359103.db2.gz QYFGGBXMYSCVGU-GDBMZVCRSA-N 2 1 304.434 2.840 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438565723 297099029 /nfs/dbraw/zinc/09/90/29/297099029.db2.gz FJMOQIAEFWNKSO-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP COC(=O)CC1(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000440498648 297154642 /nfs/dbraw/zinc/15/46/42/297154642.db2.gz ZHTJPVQDXSVZLW-CABCVRRESA-N 2 1 308.466 2.572 20 0 DFADMP COC(=O)CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000440693071 297161712 /nfs/dbraw/zinc/16/17/12/297161712.db2.gz MCYPYKKCXMJFGX-IAGOWNOFSA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000440693071 297161714 /nfs/dbraw/zinc/16/17/14/297161714.db2.gz MCYPYKKCXMJFGX-IAGOWNOFSA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000440693071 297161716 /nfs/dbraw/zinc/16/17/16/297161716.db2.gz MCYPYKKCXMJFGX-IAGOWNOFSA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000440693071 297161718 /nfs/dbraw/zinc/16/17/18/297161718.db2.gz MCYPYKKCXMJFGX-IAGOWNOFSA-N 2 1 322.493 2.916 20 0 DFADMP CO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441373721 297181499 /nfs/dbraw/zinc/18/14/99/297181499.db2.gz CJOVXANROZFGMP-KFGODFMUSA-N 2 1 312.498 2.621 20 0 DFADMP CO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441373721 297181500 /nfs/dbraw/zinc/18/15/00/297181500.db2.gz CJOVXANROZFGMP-KFGODFMUSA-N 2 1 312.498 2.621 20 0 DFADMP CO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441373721 297181501 /nfs/dbraw/zinc/18/15/01/297181501.db2.gz CJOVXANROZFGMP-KFGODFMUSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750739 297204426 /nfs/dbraw/zinc/20/44/26/297204426.db2.gz BKMYLKATYPWJCE-CABCVRRESA-N 2 1 311.429 2.838 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000442758840 297204520 /nfs/dbraw/zinc/20/45/20/297204520.db2.gz JUEMEOLMNFLEHT-HUUCEWRRSA-N 2 1 310.445 2.530 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000442758840 297204522 /nfs/dbraw/zinc/20/45/22/297204522.db2.gz JUEMEOLMNFLEHT-HUUCEWRRSA-N 2 1 310.445 2.530 20 0 DFADMP COc1ccc(-c2cnc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)o2)cc1 ZINC000442755040 297204625 /nfs/dbraw/zinc/20/46/25/297204625.db2.gz BNWKXJOCGDXDPM-STQMWFEESA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)o2)cc1 ZINC000442755040 297204627 /nfs/dbraw/zinc/20/46/27/297204627.db2.gz BNWKXJOCGDXDPM-STQMWFEESA-N 2 1 301.390 2.519 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000442764701 297204899 /nfs/dbraw/zinc/20/48/99/297204899.db2.gz DAZRTAKFQNSISN-XDQVBPFNSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000442764701 297204901 /nfs/dbraw/zinc/20/49/01/297204901.db2.gz DAZRTAKFQNSISN-XDQVBPFNSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442774742 297205389 /nfs/dbraw/zinc/20/53/89/297205389.db2.gz AVCBFPMTANZETN-BQFCYCMXSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442774742 297205392 /nfs/dbraw/zinc/20/53/92/297205392.db2.gz AVCBFPMTANZETN-BQFCYCMXSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442785338 297206034 /nfs/dbraw/zinc/20/60/34/297206034.db2.gz VNSRDPOVLIBJMH-MCIONIFRSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442785338 297206035 /nfs/dbraw/zinc/20/60/35/297206035.db2.gz VNSRDPOVLIBJMH-MCIONIFRSA-N 2 1 323.868 2.529 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)n2)cc1F ZINC000442782816 297206043 /nfs/dbraw/zinc/20/60/43/297206043.db2.gz QILQYLVHSULQFZ-FRRDWIJNSA-N 2 1 318.396 2.914 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)n2)cc1F ZINC000442782816 297206045 /nfs/dbraw/zinc/20/60/45/297206045.db2.gz QILQYLVHSULQFZ-FRRDWIJNSA-N 2 1 318.396 2.914 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000442879540 297209067 /nfs/dbraw/zinc/20/90/67/297209067.db2.gz WOVZECUBBDLPCJ-ZDUSSCGKSA-N 2 1 311.420 2.641 20 0 DFADMP Cc1cccc2c1CC[C@H]2[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442874495 297209155 /nfs/dbraw/zinc/20/91/55/297209155.db2.gz QPGCNWXATFKHPL-GOSISDBHSA-N 2 1 301.478 2.598 20 0 DFADMP CCOc1ccccc1[C@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442888133 297210297 /nfs/dbraw/zinc/21/02/97/297210297.db2.gz FBGQJHIKMPEWIZ-INIZCTEOSA-N 2 1 319.493 2.762 20 0 DFADMP Cc1ccccc1Cc1noc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443058447 297213852 /nfs/dbraw/zinc/21/38/52/297213852.db2.gz AEMNVPUVRLFXEG-HNNXBMFYSA-N 2 1 314.433 2.530 20 0 DFADMP Cc1ccccc1Cc1noc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000443058447 297213854 /nfs/dbraw/zinc/21/38/54/297213854.db2.gz AEMNVPUVRLFXEG-HNNXBMFYSA-N 2 1 314.433 2.530 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058231 297213893 /nfs/dbraw/zinc/21/38/93/297213893.db2.gz MRMCBMOEUCSWDQ-AEFFLSMTSA-N 2 1 317.477 2.657 20 0 DFADMP CC1CCC(N(C(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)C2CC2)CC1 ZINC000443059035 297214006 /nfs/dbraw/zinc/21/40/06/297214006.db2.gz LQDDYMHGTVJBEZ-AQFXKWCLSA-N 2 1 321.509 2.617 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000443059578 297214057 /nfs/dbraw/zinc/21/40/57/297214057.db2.gz NDQHOAQYZWETBH-BBRMVZONSA-N 2 1 321.852 2.506 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000443059578 297214059 /nfs/dbraw/zinc/21/40/59/297214059.db2.gz NDQHOAQYZWETBH-BBRMVZONSA-N 2 1 321.852 2.506 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065994 297214731 /nfs/dbraw/zinc/21/47/31/297214731.db2.gz DDAJYNJWHISNPI-CZUORRHYSA-N 2 1 321.852 2.506 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCN(C)c2ccccc2)C1 ZINC000444266434 297234526 /nfs/dbraw/zinc/23/45/26/297234526.db2.gz CTKVWFSCZPOWQQ-IBGZPJMESA-N 2 1 319.493 2.556 20 0 DFADMP C[N@H+]1CCN(CCC[NH+]2CCCCC2)[C@@H](c2ccccc2)C1 ZINC000444615411 297241578 /nfs/dbraw/zinc/24/15/78/297241578.db2.gz ANWAMAQCYZILCN-LJQANCHMSA-N 2 1 301.478 2.851 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccs3)CC2)CC1 ZINC000445517387 297262246 /nfs/dbraw/zinc/26/22/46/297262246.db2.gz BNXLIAKTLGSWEX-UHFFFAOYSA-N 2 1 307.507 2.740 20 0 DFADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CCCC2)cc1 ZINC000446889897 297289474 /nfs/dbraw/zinc/28/94/74/297289474.db2.gz DAEXSUNDHPHSRN-OALUTQOASA-N 2 1 302.462 2.883 20 0 DFADMP Cc1ccc([C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CCCC2)cc1 ZINC000446889897 297289475 /nfs/dbraw/zinc/28/94/75/297289475.db2.gz DAEXSUNDHPHSRN-OALUTQOASA-N 2 1 302.462 2.883 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000447529894 297306901 /nfs/dbraw/zinc/30/69/01/297306901.db2.gz LKONAVSPYANCIM-MNEFBYGVSA-N 2 1 302.462 2.917 20 0 DFADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000447572442 297308797 /nfs/dbraw/zinc/30/87/97/297308797.db2.gz BWYHNSSQBRQXNZ-YESZJQIVSA-N 2 1 304.434 2.624 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603717 297310561 /nfs/dbraw/zinc/31/05/61/297310561.db2.gz YRQYULMNBZSUDN-LUKYLMHMSA-N 2 1 324.415 2.788 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)cc(OC)c2)C1 ZINC000449035816 297395261 /nfs/dbraw/zinc/39/52/61/297395261.db2.gz HWSBTXHHWRQQIV-QGZVFWFLSA-N 2 1 324.440 2.767 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000449038993 297395710 /nfs/dbraw/zinc/39/57/10/297395710.db2.gz YGZXUMCJSOMMJX-SFHVURJKSA-N 2 1 320.477 2.936 20 0 DFADMP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1F ZINC000449044952 297396567 /nfs/dbraw/zinc/39/65/67/297396567.db2.gz GCFJWAKANXWANP-BRWVUGGUSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1F ZINC000449044952 297396568 /nfs/dbraw/zinc/39/65/68/297396568.db2.gz GCFJWAKANXWANP-BRWVUGGUSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1F ZINC000449044955 297396836 /nfs/dbraw/zinc/39/68/36/297396836.db2.gz GCFJWAKANXWANP-YESZJQIVSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1F ZINC000449044955 297396838 /nfs/dbraw/zinc/39/68/38/297396838.db2.gz GCFJWAKANXWANP-YESZJQIVSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cccc(CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000449048571 297397514 /nfs/dbraw/zinc/39/75/14/297397514.db2.gz PWAKVBHXAMCJOC-GUDVDZBRSA-N 2 1 302.462 2.721 20 0 DFADMP COCC[NH+]1CCC([NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449103830 297405998 /nfs/dbraw/zinc/40/59/98/297405998.db2.gz CJLLJTOFBZCLIZ-UHFFFAOYSA-N 2 1 324.509 2.957 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449349917 297451797 /nfs/dbraw/zinc/45/17/97/297451797.db2.gz SARLUKXELMJMLR-XHSDSOJGSA-N 2 1 318.465 2.517 20 0 DFADMP OCC1(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000449579862 297494125 /nfs/dbraw/zinc/49/41/25/297494125.db2.gz KMYWGTKGYNWUAH-UHFFFAOYSA-N 2 1 320.452 2.585 20 0 DFADMP OC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449713876 297517661 /nfs/dbraw/zinc/51/76/61/297517661.db2.gz ZAFRIBFIIKLKEG-LPHOPBHVSA-N 2 1 320.452 2.583 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453069894 298059331 /nfs/dbraw/zinc/05/93/31/298059331.db2.gz ZJFJZZHRZNWTIN-IXDOHACOSA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453118962 298063922 /nfs/dbraw/zinc/06/39/22/298063922.db2.gz VOCAYZJVHHXCHS-KSZLIROESA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453124713 298065284 /nfs/dbraw/zinc/06/52/84/298065284.db2.gz OWTZUMMTUIKCBY-JCHJZTRSSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453170835 298068243 /nfs/dbraw/zinc/06/82/43/298068243.db2.gz DSSSOWUKZKVUSB-OAHLLOKOSA-N 2 1 310.445 3.000 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453170835 298068244 /nfs/dbraw/zinc/06/82/44/298068244.db2.gz DSSSOWUKZKVUSB-OAHLLOKOSA-N 2 1 310.445 3.000 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000453262556 298077912 /nfs/dbraw/zinc/07/79/12/298077912.db2.gz FYEZRDGBWIXGGJ-VXGBXAGGSA-N 2 1 300.805 2.930 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000453262556 298077913 /nfs/dbraw/zinc/07/79/13/298077913.db2.gz FYEZRDGBWIXGGJ-VXGBXAGGSA-N 2 1 300.805 2.930 20 0 DFADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453356085 298086733 /nfs/dbraw/zinc/08/67/33/298086733.db2.gz HTHVCVVTQHAAJC-RHQZKXFESA-N 2 1 300.446 2.543 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnc(C)cc2C)[C@@H](C)C1 ZINC000453367156 298087216 /nfs/dbraw/zinc/08/72/16/298087216.db2.gz PRICJADTEQDOGV-QFBILLFUSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnc(C)cc2C)[C@@H](C)C1 ZINC000453367156 298087217 /nfs/dbraw/zinc/08/72/17/298087217.db2.gz PRICJADTEQDOGV-QFBILLFUSA-N 2 1 319.493 2.925 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H]2CCC[C@@H]21 ZINC000453378610 298088120 /nfs/dbraw/zinc/08/81/20/298088120.db2.gz KKXJWYUIRMOFJS-RFXPCRSYSA-N 2 1 315.461 2.764 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1-n1ccnn1 ZINC000453408195 298091017 /nfs/dbraw/zinc/09/10/17/298091017.db2.gz SMCVNFXKQCNORO-OAHLLOKOSA-N 2 1 313.449 2.792 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453413965 298091719 /nfs/dbraw/zinc/09/17/19/298091719.db2.gz WVUAFFITQBXPCE-HZPDHXFCSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237620133 298300508 /nfs/dbraw/zinc/30/05/08/298300508.db2.gz DMZNENQRTIXGLJ-IAGOWNOFSA-N 2 1 323.525 2.783 20 0 DFADMP c1ccc(-c2nnc([C@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)[nH]2)cc1 ZINC000455664120 298398786 /nfs/dbraw/zinc/39/87/86/298398786.db2.gz SZIWSDVLHXODEA-MRXNPFEDSA-N 2 1 311.433 2.608 20 0 DFADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000456272758 298484939 /nfs/dbraw/zinc/48/49/39/298484939.db2.gz LJXNPBDNZFKNSR-QGZVFWFLSA-N 2 1 324.428 2.949 20 0 DFADMP CCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000496497368 300071217 /nfs/dbraw/zinc/07/12/17/300071217.db2.gz XVAZUJUUCUVZIY-UHFFFAOYSA-N 2 1 313.486 2.565 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000496497368 300071219 /nfs/dbraw/zinc/07/12/19/300071219.db2.gz XVAZUJUUCUVZIY-UHFFFAOYSA-N 2 1 313.486 2.565 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@H]2CCCC[NH2+]2)cc1 ZINC000496712206 300102996 /nfs/dbraw/zinc/10/29/96/300102996.db2.gz JJYAQZOYPYBWDK-CZUORRHYSA-N 2 1 305.422 2.528 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496835191 300121420 /nfs/dbraw/zinc/12/14/20/300121420.db2.gz DNRHFWLUVCLFRC-UHFFFAOYSA-N 2 1 322.453 2.569 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CC(NC(=O)OC(C)(C)C)C1 ZINC000496835191 300121423 /nfs/dbraw/zinc/12/14/23/300121423.db2.gz DNRHFWLUVCLFRC-UHFFFAOYSA-N 2 1 322.453 2.569 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])CC1 ZINC000498203415 300194461 /nfs/dbraw/zinc/19/44/61/300194461.db2.gz ZVBJTLLRFNVRCD-MJGOQNOKSA-N 2 1 323.525 2.865 20 0 DFADMP COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCn1cc[nH+]c1C ZINC000499055045 300200536 /nfs/dbraw/zinc/20/05/36/300200536.db2.gz MIMCTDNHMLVINE-IAGOWNOFSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCn1cc[nH+]c1C ZINC000499055045 300200538 /nfs/dbraw/zinc/20/05/38/300200538.db2.gz MIMCTDNHMLVINE-IAGOWNOFSA-N 2 1 319.449 2.635 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000507482238 300235828 /nfs/dbraw/zinc/23/58/28/300235828.db2.gz QHQFXYWURBFKSQ-NHYWBVRUSA-N 2 1 300.368 2.966 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]CC2(C)COC2)C[N@H+]1Cc1ccccc1 ZINC000512044625 300252073 /nfs/dbraw/zinc/25/20/73/300252073.db2.gz GYVMOZYXUAAMGE-SJLPKXTDSA-N 2 1 302.462 2.913 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000513045232 300256884 /nfs/dbraw/zinc/25/68/84/300256884.db2.gz CXENLWAFFLBVEX-WBVHZDCISA-N 2 1 303.450 2.868 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000513045232 300256886 /nfs/dbraw/zinc/25/68/86/300256886.db2.gz CXENLWAFFLBVEX-WBVHZDCISA-N 2 1 303.450 2.868 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccnn2C)C[N@H+]1Cc1ccccc1 ZINC000513493588 300257720 /nfs/dbraw/zinc/25/77/20/300257720.db2.gz BNXFQEUTLLGBTN-AEFFLSMTSA-N 2 1 312.461 2.810 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513506382 300257999 /nfs/dbraw/zinc/25/79/99/300257999.db2.gz PWRVYAWLKZOXPY-BWPNAZKDSA-N 2 1 315.505 2.827 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000513502498 300258084 /nfs/dbraw/zinc/25/80/84/300258084.db2.gz AFOKMJLLJBBSNB-LPHOPBHVSA-N 2 1 304.478 2.992 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000514596438 300261528 /nfs/dbraw/zinc/26/15/28/300261528.db2.gz OBFULUMFPHMTTB-YUELXQCFSA-N 2 1 321.852 2.695 20 0 DFADMP C[C@H]1CC[N@@H+](CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515062650 300288436 /nfs/dbraw/zinc/28/84/36/300288436.db2.gz KGEPKMCCISGBSM-DOTOQJQBSA-N 2 1 309.498 2.522 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1Cc2ccccc2C1 ZINC000515099664 300290054 /nfs/dbraw/zinc/29/00/54/300290054.db2.gz NROVFFAMHAFDPP-AQNXPRMDSA-N 2 1 314.473 2.585 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCCC(=O)N(C)C)CC1 ZINC000515177956 300293669 /nfs/dbraw/zinc/29/36/69/300293669.db2.gz BDRRIYVHRCWGIX-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cnccn3)c2)CC1 ZINC000515373051 300303500 /nfs/dbraw/zinc/30/35/00/300303500.db2.gz UXRGEUHZCHPZNT-UHFFFAOYSA-N 2 1 310.445 2.998 20 0 DFADMP C[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000515634250 300315659 /nfs/dbraw/zinc/31/56/59/300315659.db2.gz UFBXIRNAXHIFPW-FUHWJXTLSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000515634250 300315662 /nfs/dbraw/zinc/31/56/62/300315662.db2.gz UFBXIRNAXHIFPW-FUHWJXTLSA-N 2 1 315.505 2.801 20 0 DFADMP CCc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000516207706 300335184 /nfs/dbraw/zinc/33/51/84/300335184.db2.gz CJAJSMGQTRRFNE-UHFFFAOYSA-N 2 1 324.428 2.648 20 0 DFADMP CC[NH+]1CCC(NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000516311028 300339266 /nfs/dbraw/zinc/33/92/66/300339266.db2.gz QWYCXXVYGNKBRF-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1C ZINC000516423629 300342256 /nfs/dbraw/zinc/34/22/56/300342256.db2.gz BBKUIQHZAWQKLN-ZBFHGGJFSA-N 2 1 303.450 2.752 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000517226267 300388647 /nfs/dbraw/zinc/38/86/47/300388647.db2.gz JYGGPKITHCKEGK-TZMCWYRMSA-N 2 1 306.454 2.892 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000519614810 300463147 /nfs/dbraw/zinc/46/31/47/300463147.db2.gz YMESFWFYTLAGHB-UHFFFAOYSA-N 2 1 316.489 2.618 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1OCCc2sccc21 ZINC000519833796 300481886 /nfs/dbraw/zinc/48/18/86/300481886.db2.gz QIZNFRJCCPPIIZ-LRDDRELGSA-N 2 1 305.447 2.706 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1OCCc2sccc21 ZINC000519833794 300481969 /nfs/dbraw/zinc/48/19/69/300481969.db2.gz QIZNFRJCCPPIIZ-BLLLJJGKSA-N 2 1 305.447 2.706 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530177516 301025888 /nfs/dbraw/zinc/02/58/88/301025888.db2.gz JMBKCUHGBWOSEN-GOEBONIOSA-N 2 1 301.434 2.586 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530178596 301026419 /nfs/dbraw/zinc/02/64/19/301026419.db2.gz OSAPHWANVZJWFJ-IUODEOHRSA-N 2 1 321.852 2.931 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219373 301031141 /nfs/dbraw/zinc/03/11/41/301031141.db2.gz PIOOZUQXSSYEGT-KBXCAEBGSA-N 2 1 308.429 2.621 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530224717 301031655 /nfs/dbraw/zinc/03/16/55/301031655.db2.gz XBHHUMRVXHRFOD-SFYZADRCSA-N 2 1 307.182 2.943 20 0 DFADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530407367 301046255 /nfs/dbraw/zinc/04/62/55/301046255.db2.gz CLDRFXALYRWMIP-HNNXBMFYSA-N 2 1 317.433 2.591 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1 ZINC000531108733 301080132 /nfs/dbraw/zinc/08/01/32/301080132.db2.gz HQTHMCMBSRWAEN-UHFFFAOYSA-N 2 1 317.477 2.986 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc1 ZINC000531108733 301080133 /nfs/dbraw/zinc/08/01/33/301080133.db2.gz HQTHMCMBSRWAEN-UHFFFAOYSA-N 2 1 317.477 2.986 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980908 301123419 /nfs/dbraw/zinc/12/34/19/301123419.db2.gz GNFFXRRQTNDOKH-WWGRRREGSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980908 301123420 /nfs/dbraw/zinc/12/34/20/301123420.db2.gz GNFFXRRQTNDOKH-WWGRRREGSA-N 2 1 307.413 2.615 20 0 DFADMP c1c(C[NH2+]C2CC[NH+](C3CCC3)CC2)[nH]nc1-c1cccnc1 ZINC000532067573 301128427 /nfs/dbraw/zinc/12/84/27/301128427.db2.gz GKMIJUCKQPTHQO-UHFFFAOYSA-N 2 1 311.433 2.578 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)o2)[C@H](C)C1 ZINC000532195812 301136120 /nfs/dbraw/zinc/13/61/20/301136120.db2.gz JCZNFLLDPLOLFZ-CRAIPNDOSA-N 2 1 308.466 2.857 20 0 DFADMP C[C@H]1CC[N@@H+](CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531762 301158720 /nfs/dbraw/zinc/15/87/20/301158720.db2.gz CLZAYBRWLHNTJU-ZIFCJYIRSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 ZINC000532641635 301165275 /nfs/dbraw/zinc/16/52/75/301165275.db2.gz UDWLHIVJHNDBKX-PXNSSMCTSA-N 2 1 324.472 2.721 20 0 DFADMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 ZINC000532641636 301165483 /nfs/dbraw/zinc/16/54/83/301165483.db2.gz UDWLHIVJHNDBKX-XLIONFOSSA-N 2 1 324.472 2.721 20 0 DFADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000532967388 301179376 /nfs/dbraw/zinc/17/93/76/301179376.db2.gz AWNGWRDNBIRVAJ-CRAIPNDOSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](C[C@@H]1CCCOC1)[C@H]1CCC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000533606410 301210182 /nfs/dbraw/zinc/21/01/82/301210182.db2.gz GTBOEDOMYNCUTA-FHWLQOOXSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C[C@@H]1CCCOC1)[C@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000533606410 301210185 /nfs/dbraw/zinc/21/01/85/301210185.db2.gz GTBOEDOMYNCUTA-FHWLQOOXSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C[C@@H]1CCCOC1)[C@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000533606410 301210187 /nfs/dbraw/zinc/21/01/87/301210187.db2.gz GTBOEDOMYNCUTA-FHWLQOOXSA-N 2 1 324.509 2.626 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(Cl)c(F)c1 ZINC000535065643 301246690 /nfs/dbraw/zinc/24/66/90/301246690.db2.gz MWHRPGILCCGKOP-GFCCVEGCSA-N 2 1 314.832 2.977 20 0 DFADMP CC[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCOCC1 ZINC000536857489 301291512 /nfs/dbraw/zinc/29/15/12/301291512.db2.gz LPNYYEYFIQENNN-JZXOWHBKSA-N 2 1 312.498 2.671 20 0 DFADMP CC[C@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000538950476 301335682 /nfs/dbraw/zinc/33/56/82/301335682.db2.gz UWRQBPNOJQLBAB-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC000545192421 301467177 /nfs/dbraw/zinc/46/71/77/301467177.db2.gz FHVHJPXTJPFUMC-HOTGVXAUSA-N 2 1 320.481 2.557 20 0 DFADMP CC(C)[C@](C)(C[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000563155230 302042304 /nfs/dbraw/zinc/04/23/04/302042304.db2.gz OQFFKNZDKXWRHY-INIZCTEOSA-N 2 1 312.841 2.964 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H]2CCCCC2(F)F)CC1 ZINC000563215839 302050588 /nfs/dbraw/zinc/05/05/88/302050588.db2.gz HLHKJTRAQUUYBD-HNNXBMFYSA-N 2 1 316.436 2.638 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000563351409 302065121 /nfs/dbraw/zinc/06/51/21/302065121.db2.gz YZQYRBPCIIFDJV-NVXWUHKLSA-N 2 1 311.429 2.972 20 0 DFADMP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528789 302080094 /nfs/dbraw/zinc/08/00/94/302080094.db2.gz GOZHUDNBCLYIEU-DYESRHJHSA-N 2 1 324.468 2.817 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1)C1CC1 ZINC000563961196 302111982 /nfs/dbraw/zinc/11/19/82/302111982.db2.gz ZBUNWFDHNQWQHT-KGLIPLIRSA-N 2 1 303.450 2.527 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)C1 ZINC000564464729 302136649 /nfs/dbraw/zinc/13/66/49/302136649.db2.gz AMFRXYDRPIAXTF-UBDQQSCGSA-N 2 1 305.466 2.614 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@H]([C@@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)C1 ZINC000564464729 302136652 /nfs/dbraw/zinc/13/66/52/302136652.db2.gz AMFRXYDRPIAXTF-UBDQQSCGSA-N 2 1 305.466 2.614 20 0 DFADMP Cc1cnn([C@@H]2CC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)c1 ZINC000564539736 302140378 /nfs/dbraw/zinc/14/03/78/302140378.db2.gz BSUKZSAIXRCOFA-GOSISDBHSA-N 2 1 322.416 2.528 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000564615981 302144505 /nfs/dbraw/zinc/14/45/05/302144505.db2.gz MMIBTWWWOGZXLW-QWHCGFSZSA-N 2 1 309.417 2.754 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000564719244 302153002 /nfs/dbraw/zinc/15/30/02/302153002.db2.gz XRQMHVBENTXHKI-MRXNPFEDSA-N 2 1 300.402 2.575 20 0 DFADMP O=C(CC[NH2+]C1CC[NH+](C2CC2)CC1)Nc1cccc(Cl)c1 ZINC000564845097 302163098 /nfs/dbraw/zinc/16/30/98/302163098.db2.gz SZONICLUGPXRDB-UHFFFAOYSA-N 2 1 321.852 2.885 20 0 DFADMP OC1(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000564868225 302166752 /nfs/dbraw/zinc/16/67/52/302166752.db2.gz DHYZVNAMYMXLMH-SFHVURJKSA-N 2 1 302.462 2.793 20 0 DFADMP [NH3+][C@@H](C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1)C1CCC1 ZINC000564936110 302175484 /nfs/dbraw/zinc/17/54/84/302175484.db2.gz KECKFSYFKWEFCD-CQSZACIVSA-N 2 1 322.478 2.585 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000564956825 302176887 /nfs/dbraw/zinc/17/68/87/302176887.db2.gz WEBVWTJYXMCCRA-QZTJIDSGSA-N 2 1 317.477 2.847 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)cc1 ZINC000564989557 302179943 /nfs/dbraw/zinc/17/99/43/302179943.db2.gz RBLDRGMAXLUOOM-YQVWRLOYSA-N 2 1 318.461 2.629 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000565225297 302209844 /nfs/dbraw/zinc/20/98/44/302209844.db2.gz CGPZHGHBGNUYID-LMMKCTJWSA-N 2 1 317.477 2.692 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CCCO3)CC23CC3)cc1 ZINC000565304467 302216965 /nfs/dbraw/zinc/21/69/65/302216965.db2.gz ZBYFCQLLEBUACA-ROUUACIJSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CCCO3)CC23CC3)cc1 ZINC000565304467 302216968 /nfs/dbraw/zinc/21/69/68/302216968.db2.gz ZBYFCQLLEBUACA-ROUUACIJSA-N 2 1 300.446 2.952 20 0 DFADMP CC[NH+]1CCC(C[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000565637606 302234461 /nfs/dbraw/zinc/23/44/61/302234461.db2.gz LWTJVMWRRHMSMA-QGZVFWFLSA-N 2 1 316.424 2.960 20 0 DFADMP Clc1ccc(CCC[NH+]2CCN(c3[nH]cc[nH+]3)CC2)cc1 ZINC000565869606 302245858 /nfs/dbraw/zinc/24/58/58/302245858.db2.gz LJKBDALZACSTLC-UHFFFAOYSA-N 2 1 304.825 2.818 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000566114540 302260638 /nfs/dbraw/zinc/26/06/38/302260638.db2.gz IZPINZIHWADANS-WOJBJXKFSA-N 2 1 318.505 2.938 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH2+]C(C)C)cc1)C1CC1 ZINC000566199248 302267464 /nfs/dbraw/zinc/26/74/64/302267464.db2.gz VTIUROQQRQNNKD-UHFFFAOYSA-N 2 1 317.477 2.789 20 0 DFADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000566216852 302268041 /nfs/dbraw/zinc/26/80/41/302268041.db2.gz HDRKMSMRTFDKQP-GOSISDBHSA-N 2 1 324.472 2.749 20 0 DFADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000566216852 302268043 /nfs/dbraw/zinc/26/80/43/302268043.db2.gz HDRKMSMRTFDKQP-GOSISDBHSA-N 2 1 324.472 2.749 20 0 DFADMP C[C@@H](CC(=O)N1C[C@H]2CCC[N@H+]2Cc2ccccc21)n1ccnc1 ZINC000566309430 302278383 /nfs/dbraw/zinc/27/83/83/302278383.db2.gz ZOTGOXIETSLERK-DOTOQJQBSA-N 2 1 324.428 2.845 20 0 DFADMP COc1cc2c(cc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)O[C@H](C)C2 ZINC000566705901 302305302 /nfs/dbraw/zinc/30/53/02/302305302.db2.gz QTICKQROEVBZCJ-JJRVBVJISA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)[C@@H]1CCN(C)C[C@@H]1C)O[C@H](C)C2 ZINC000566705901 302305303 /nfs/dbraw/zinc/30/53/03/302305303.db2.gz QTICKQROEVBZCJ-JJRVBVJISA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@@H]1C)O[C@H](C)C2 ZINC000566705901 302305305 /nfs/dbraw/zinc/30/53/05/302305305.db2.gz QTICKQROEVBZCJ-JJRVBVJISA-N 2 1 318.461 2.791 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1COc2ccccc2O1 ZINC000566860926 302318170 /nfs/dbraw/zinc/31/81/70/302318170.db2.gz HMCGDWJGIRIGNX-SFHVURJKSA-N 2 1 324.424 2.604 20 0 DFADMP CC(C)CSCCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000566975761 302327070 /nfs/dbraw/zinc/32/70/70/302327070.db2.gz GEDBHGFJHMBDQC-UHFFFAOYSA-N 2 1 314.539 2.592 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C1 ZINC000567249890 302345693 /nfs/dbraw/zinc/34/56/93/302345693.db2.gz XSLLWFRVTJUBNE-CVEARBPZSA-N 2 1 311.539 2.598 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)CC2)n1 ZINC000567298972 302348132 /nfs/dbraw/zinc/34/81/32/302348132.db2.gz ZKWHLFOXZWWTDE-ZKLCHKPXSA-N 2 1 318.465 2.867 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(Cc2ccccc2)CCCC1)C1CC1 ZINC000567709696 302382916 /nfs/dbraw/zinc/38/29/16/302382916.db2.gz ORNXMKAHIFEGNQ-IBGZPJMESA-N 2 1 316.489 2.834 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(Cc2ccccc2)CCCC1)C1CC1 ZINC000567709696 302382917 /nfs/dbraw/zinc/38/29/17/302382917.db2.gz ORNXMKAHIFEGNQ-IBGZPJMESA-N 2 1 316.489 2.834 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000567894139 302397290 /nfs/dbraw/zinc/39/72/90/302397290.db2.gz MHLZVURBVJBMRC-GDBMZVCRSA-N 2 1 305.466 2.559 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]2CCCC[C@H]12 ZINC000567897399 302397812 /nfs/dbraw/zinc/39/78/12/302397812.db2.gz FDFDEMDZKXVULK-LGKHCZOZSA-N 2 1 316.489 2.818 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2O)cc1F ZINC000568256081 302435967 /nfs/dbraw/zinc/43/59/67/302435967.db2.gz BIJMNQLTXWSIFN-NVXWUHKLSA-N 2 1 303.381 2.713 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)cc1 ZINC000568291699 302439791 /nfs/dbraw/zinc/43/97/91/302439791.db2.gz RIIMOFZZSVVJCZ-HNNXBMFYSA-N 2 1 303.450 2.807 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000569472632 302520411 /nfs/dbraw/zinc/52/04/11/302520411.db2.gz ILXWERPFTFKEEG-VXGBXAGGSA-N 2 1 317.355 2.500 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)[C@H]1CCCCC[NH2+]1)c1ccccc1Cl ZINC000571526531 302621680 /nfs/dbraw/zinc/62/16/80/302621680.db2.gz VMRQKEUFDPRJBJ-CVEARBPZSA-N 2 1 323.868 2.591 20 0 DFADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000182384240 316100348 /nfs/dbraw/zinc/10/03/48/316100348.db2.gz LMOSDEHIBGPUCS-FZDBZEDMSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000182384240 316100350 /nfs/dbraw/zinc/10/03/50/316100350.db2.gz LMOSDEHIBGPUCS-FZDBZEDMSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@@H]1C ZINC000182384240 316100354 /nfs/dbraw/zinc/10/03/54/316100354.db2.gz LMOSDEHIBGPUCS-FZDBZEDMSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1F ZINC000183262483 316135104 /nfs/dbraw/zinc/13/51/04/316135104.db2.gz NYZZOWZQTWQYMX-ZIAGYGMSSA-N 2 1 312.404 2.852 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000184947846 316177303 /nfs/dbraw/zinc/17/73/03/316177303.db2.gz POWNLPSXYMPEND-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC(C)(C)C ZINC000185663570 316190296 /nfs/dbraw/zinc/19/02/96/316190296.db2.gz GUTCNMODIBTXFU-KKUMJFAQSA-N 2 1 309.498 2.532 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC(C)(C)C ZINC000185663570 316190301 /nfs/dbraw/zinc/19/03/01/316190301.db2.gz GUTCNMODIBTXFU-KKUMJFAQSA-N 2 1 309.498 2.532 20 0 DFADMP CCCN(CCC)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745638 316190984 /nfs/dbraw/zinc/19/09/84/316190984.db2.gz WCPAZJFTVHZNNW-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCN(CCC)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745638 316190987 /nfs/dbraw/zinc/19/09/87/316190987.db2.gz WCPAZJFTVHZNNW-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760092 316192385 /nfs/dbraw/zinc/19/23/85/316192385.db2.gz WAIISMHJPDLFNN-HRCADAONSA-N 2 1 309.498 2.534 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760092 316192389 /nfs/dbraw/zinc/19/23/89/316192389.db2.gz WAIISMHJPDLFNN-HRCADAONSA-N 2 1 309.498 2.534 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]12 ZINC000319391995 316251060 /nfs/dbraw/zinc/25/10/60/316251060.db2.gz DEXRNEBNUVKPNC-AEGPPILISA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@H]12 ZINC000319391995 316251062 /nfs/dbraw/zinc/25/10/62/316251062.db2.gz DEXRNEBNUVKPNC-AEGPPILISA-N 2 1 301.365 2.650 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000339509100 316306223 /nfs/dbraw/zinc/30/62/23/316306223.db2.gz XGHMIFDBAYICBZ-DNVCBOLYSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000339509100 316306232 /nfs/dbraw/zinc/30/62/32/316306232.db2.gz XGHMIFDBAYICBZ-DNVCBOLYSA-N 2 1 312.461 2.729 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000346098801 316318075 /nfs/dbraw/zinc/31/80/75/316318075.db2.gz LSGVYNFVYCPRRO-UKRRQHHQSA-N 2 1 323.868 2.578 20 0 DFADMP CC[NH+](CC)Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000349969112 316372469 /nfs/dbraw/zinc/37/24/69/316372469.db2.gz FTEMAXRRTUABEJ-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000360019705 316573312 /nfs/dbraw/zinc/57/33/12/316573312.db2.gz SHRQXBQAJZIIQF-CHWSQXEVSA-N 2 1 301.390 2.566 20 0 DFADMP CCOc1cc(C[NH2+]CC(C)(C)[NH3+])ccc1OCC(F)(F)F ZINC000414808026 316664325 /nfs/dbraw/zinc/66/43/25/316664325.db2.gz RYKZUXQTVDNXCJ-UHFFFAOYSA-N 2 1 320.355 2.853 20 0 DFADMP COC1([C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCCC1 ZINC000421846397 316774402 /nfs/dbraw/zinc/77/44/02/316774402.db2.gz SHSLHBIJXOZWSG-QGZVFWFLSA-N 2 1 324.509 2.959 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000449649079 317048232 /nfs/dbraw/zinc/04/82/32/317048232.db2.gz ROOPCMGBYFYZNE-RCBQFDQVSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450432379 317092096 /nfs/dbraw/zinc/09/20/96/317092096.db2.gz ABXLSCUWAZCRCW-WSTZPKSXSA-N 2 1 316.489 2.959 20 0 DFADMP CCc1cc(CCC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000450474257 317094338 /nfs/dbraw/zinc/09/43/38/317094338.db2.gz PHVTULTWWBSIIR-INIZCTEOSA-N 2 1 302.422 2.839 20 0 DFADMP CCc1cc(CCC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)on1 ZINC000450474257 317094342 /nfs/dbraw/zinc/09/43/42/317094342.db2.gz PHVTULTWWBSIIR-INIZCTEOSA-N 2 1 302.422 2.839 20 0 DFADMP CCc1cc(CCC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000450474258 317094718 /nfs/dbraw/zinc/09/47/18/317094718.db2.gz PHVTULTWWBSIIR-MRXNPFEDSA-N 2 1 302.422 2.839 20 0 DFADMP CCc1cc(CCC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)on1 ZINC000450474258 317094723 /nfs/dbraw/zinc/09/47/23/317094723.db2.gz PHVTULTWWBSIIR-MRXNPFEDSA-N 2 1 302.422 2.839 20 0 DFADMP COC(=O)C1(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CC1 ZINC000450493933 317097168 /nfs/dbraw/zinc/09/71/68/317097168.db2.gz HQDDFBOQDRDTTE-MRXNPFEDSA-N 2 1 322.493 2.916 20 0 DFADMP Cc1ccnc(N2CCN(C[C@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC000450503150 317100701 /nfs/dbraw/zinc/10/07/01/317100701.db2.gz RGBNOWXAJFGGND-GOSISDBHSA-N 2 1 316.493 2.775 20 0 DFADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000453062810 317157697 /nfs/dbraw/zinc/15/76/97/317157697.db2.gz QQPSYQFXWYFQFN-IAGOWNOFSA-N 2 1 312.498 2.672 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453074361 317159165 /nfs/dbraw/zinc/15/91/65/317159165.db2.gz HMJPIOCYLLDGIQ-ZCNNSNEGSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453074361 317159168 /nfs/dbraw/zinc/15/91/68/317159168.db2.gz HMJPIOCYLLDGIQ-ZCNNSNEGSA-N 2 1 324.472 2.953 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)c1 ZINC000453140542 317164949 /nfs/dbraw/zinc/16/49/49/317164949.db2.gz QJFRVCIJTWABMX-AABGKKOBSA-N 2 1 324.472 2.916 20 0 DFADMP COc1ncc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1Cl ZINC000453292275 317176701 /nfs/dbraw/zinc/17/67/01/317176701.db2.gz NIWJSRUCJWWECU-BPLDGKMQSA-N 2 1 309.841 2.706 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CCCC[N@@H+](C)C3CC3)c(C)n2n1 ZINC000453405851 317183907 /nfs/dbraw/zinc/18/39/07/317183907.db2.gz QOLJSLSMHIHHHG-AWEZNQCLSA-N 2 1 315.465 2.871 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cnc([C@@H]2CCCO2)s1)C1CC1 ZINC000453596408 317192460 /nfs/dbraw/zinc/19/24/60/317192460.db2.gz LBWFJJIYKXHISF-HNNXBMFYSA-N 2 1 309.479 2.959 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]CCc2ccc(Cl)cc2)CCCO1 ZINC000459504926 317327118 /nfs/dbraw/zinc/32/71/18/317327118.db2.gz JCKLTWIOQUJJQB-HNNXBMFYSA-N 2 1 310.869 2.973 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)cc1 ZINC000487437670 317346173 /nfs/dbraw/zinc/34/61/73/317346173.db2.gz IRGIDGBAAINJOU-YOEHRIQHSA-N 2 1 303.450 2.665 20 0 DFADMP CC(C)[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000488469977 317396311 /nfs/dbraw/zinc/39/63/11/317396311.db2.gz ZQRARQROZPUTGZ-JKSUJKDBSA-N 2 1 312.523 2.751 20 0 DFADMP CC(C)C1CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000488503192 317398049 /nfs/dbraw/zinc/39/80/49/317398049.db2.gz JKXUEIZTDOKRQF-CTWPCTMYSA-N 2 1 302.462 2.777 20 0 DFADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C(C1CCC1)C1CCC1 ZINC000530212194 317776204 /nfs/dbraw/zinc/77/62/04/317776204.db2.gz PRVAUPIHQASRSI-BHIYHBOVSA-N 2 1 306.494 2.950 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCCC[C@H]2O)CC1 ZINC000572044320 317999012 /nfs/dbraw/zinc/99/90/12/317999012.db2.gz DJHDURSKWWWYBX-DOTOQJQBSA-N 2 1 304.434 2.784 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000574510698 318022530 /nfs/dbraw/zinc/02/25/30/318022530.db2.gz TXASKSLOZMCRQC-OCCSQVGLSA-N 2 1 318.387 2.846 20 0 DFADMP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000575121838 318064641 /nfs/dbraw/zinc/06/46/41/318064641.db2.gz JFEHKLCIMHTQPQ-WMLDXEAASA-N 2 1 303.450 2.587 20 0 DFADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000575759282 318081698 /nfs/dbraw/zinc/08/16/98/318081698.db2.gz OBZPLRLBUMWKFZ-INIZCTEOSA-N 2 1 307.825 2.983 20 0 DFADMP C[C@H]([NH2+]Cc1c(F)cccc1N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000575980143 318095549 /nfs/dbraw/zinc/09/55/49/318095549.db2.gz VISHYRVYNQUQBM-GJZGRUSLSA-N 2 1 305.441 2.904 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1cc(Cl)cc(Cl)c1)C1CC1 ZINC000576389809 318123020 /nfs/dbraw/zinc/12/30/20/318123020.db2.gz DNEIVNGNWMESLN-HNNXBMFYSA-N 2 1 317.260 2.581 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000576457984 318127436 /nfs/dbraw/zinc/12/74/36/318127436.db2.gz AOTBRXWZSSCQPR-UONOGXRCSA-N 2 1 310.825 2.861 20 0 DFADMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccsc1 ZINC000576816263 318151872 /nfs/dbraw/zinc/15/18/72/318151872.db2.gz TXGBVWZWTKYDRA-ZDUSSCGKSA-N 2 1 305.451 2.574 20 0 DFADMP OCC1(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000577492043 318196667 /nfs/dbraw/zinc/19/66/67/318196667.db2.gz CCLIDXWQLHZXQW-SFHVURJKSA-N 2 1 314.473 2.936 20 0 DFADMP OCC1(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000577492043 318196669 /nfs/dbraw/zinc/19/66/69/318196669.db2.gz CCLIDXWQLHZXQW-SFHVURJKSA-N 2 1 314.473 2.936 20 0 DFADMP C[C@H]1C[C@H](CCNC(=O)CCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000577511110 318198653 /nfs/dbraw/zinc/19/86/53/318198653.db2.gz ZRSUEZKRNNAVET-WMZOPIPTSA-N 2 1 317.477 2.532 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000577605681 318204695 /nfs/dbraw/zinc/20/46/95/318204695.db2.gz OQUOYBCDBFANEP-MRXNPFEDSA-N 2 1 324.513 2.554 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577710646 318211560 /nfs/dbraw/zinc/21/15/60/318211560.db2.gz CASVZCXQBUNBBY-KGLIPLIRSA-N 2 1 316.449 2.532 20 0 DFADMP CC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000577739728 318213963 /nfs/dbraw/zinc/21/39/63/318213963.db2.gz DJKWDVMFEDIZBK-YVWKXTFCSA-N 2 1 315.505 2.801 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000577949961 318228153 /nfs/dbraw/zinc/22/81/53/318228153.db2.gz MMDLQOAOYOFDSY-BBOMDTFKSA-N 2 1 303.450 2.910 20 0 DFADMP CCSc1cccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000577962725 318229354 /nfs/dbraw/zinc/22/93/54/318229354.db2.gz DIJVSEZVOXWGTH-UHFFFAOYSA-N 2 1 308.491 2.735 20 0 DFADMP Cn1cc([C@@H]2C[N@@H+](CC[C@@H]3CCCC[NH+]3C)CC2(C)C)cn1 ZINC000578079728 318236437 /nfs/dbraw/zinc/23/64/37/318236437.db2.gz BKJIHPKPSAVMDF-IRXDYDNUSA-N 2 1 304.482 2.720 20 0 DFADMP Cn1cc([C@@H]2C[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000578079728 318236439 /nfs/dbraw/zinc/23/64/39/318236439.db2.gz BKJIHPKPSAVMDF-IRXDYDNUSA-N 2 1 304.482 2.720 20 0 DFADMP Cn1cc([C@@H]2C[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000578079728 318236441 /nfs/dbraw/zinc/23/64/41/318236441.db2.gz BKJIHPKPSAVMDF-IRXDYDNUSA-N 2 1 304.482 2.720 20 0 DFADMP COC(=O)c1oc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000578149833 318241668 /nfs/dbraw/zinc/24/16/68/318241668.db2.gz WYTHCAVQAFETDE-UHFFFAOYSA-N 2 1 322.449 2.927 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000578232251 318247021 /nfs/dbraw/zinc/24/70/21/318247021.db2.gz MVSHZASUQCKIRB-PKOBYXMFSA-N 2 1 322.468 2.687 20 0 DFADMP CCc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)s1 ZINC000578304004 318251560 /nfs/dbraw/zinc/25/15/60/318251560.db2.gz JKQCHBNFXGLVHV-CVEARBPZSA-N 2 1 306.475 2.511 20 0 DFADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cncc(Br)c1 ZINC000578523659 318267268 /nfs/dbraw/zinc/26/72/68/318267268.db2.gz KKFDINKARDKPEK-QWRGUYRKSA-N 2 1 300.244 2.835 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000578860639 318290605 /nfs/dbraw/zinc/29/06/05/318290605.db2.gz ZTSNQDCYGPWKCK-HXUWFJFHSA-N 2 1 323.440 2.928 20 0 DFADMP COCc1cccc(CN2CCC([N@@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000579254590 318318281 /nfs/dbraw/zinc/31/82/81/318318281.db2.gz OMNGXKPCPXCCBT-INIZCTEOSA-N 2 1 318.461 2.518 20 0 DFADMP COCc1cccc(CN2CCC([N@H+]3CCOC[C@@H]3C)CC2)c1 ZINC000579254590 318318284 /nfs/dbraw/zinc/31/82/84/318318284.db2.gz OMNGXKPCPXCCBT-INIZCTEOSA-N 2 1 318.461 2.518 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)Nc1cc[nH+]cc1Br ZINC000579635686 318344363 /nfs/dbraw/zinc/34/43/63/318344363.db2.gz DFOXNHROCSCLCH-NSHDSACASA-N 2 1 300.244 2.798 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)Nc1cc[nH+]cc1Br ZINC000579635686 318344362 /nfs/dbraw/zinc/34/43/62/318344362.db2.gz DFOXNHROCSCLCH-NSHDSACASA-N 2 1 300.244 2.798 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000579900452 318360495 /nfs/dbraw/zinc/36/04/95/318360495.db2.gz GATMECMJCAYWAW-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000579900452 318360499 /nfs/dbraw/zinc/36/04/99/318360499.db2.gz GATMECMJCAYWAW-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000579900452 318360502 /nfs/dbraw/zinc/36/05/02/318360502.db2.gz GATMECMJCAYWAW-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000580211893 318384745 /nfs/dbraw/zinc/38/47/45/318384745.db2.gz OFCNMNUREDUBNO-MSOLQXFVSA-N 2 1 310.457 2.637 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000580211893 318384747 /nfs/dbraw/zinc/38/47/47/318384747.db2.gz OFCNMNUREDUBNO-MSOLQXFVSA-N 2 1 310.457 2.637 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000580211893 318384749 /nfs/dbraw/zinc/38/47/49/318384749.db2.gz OFCNMNUREDUBNO-MSOLQXFVSA-N 2 1 310.457 2.637 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000580211893 318384751 /nfs/dbraw/zinc/38/47/51/318384751.db2.gz OFCNMNUREDUBNO-MSOLQXFVSA-N 2 1 310.457 2.637 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189179416 323222359 /nfs/dbraw/zinc/22/23/59/323222359.db2.gz KCBRPJOLIRYDPH-INIZCTEOSA-N 2 1 316.424 2.502 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189179416 323222361 /nfs/dbraw/zinc/22/23/61/323222361.db2.gz KCBRPJOLIRYDPH-INIZCTEOSA-N 2 1 316.424 2.502 20 0 DFADMP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000378885972 323287792 /nfs/dbraw/zinc/28/77/92/323287792.db2.gz LODHGSMCLCMSSW-RTBURBONSA-N 2 1 302.462 2.851 20 0 DFADMP CON1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379629016 323289156 /nfs/dbraw/zinc/28/91/56/323289156.db2.gz JSBSWRMWUNFRSQ-APWZRJJASA-N 2 1 317.477 2.655 20 0 DFADMP CON1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379629016 323289159 /nfs/dbraw/zinc/28/91/59/323289159.db2.gz JSBSWRMWUNFRSQ-APWZRJJASA-N 2 1 317.477 2.655 20 0 DFADMP c1ccc(C[N@H+]2CCCC[C@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000379630362 323289526 /nfs/dbraw/zinc/28/95/26/323289526.db2.gz PTRXMHGKVGAWRJ-OALUTQOASA-N 2 1 301.478 2.773 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@H]2CN[C@H]2CCC[NH2+]CC2)cc1 ZINC000379630362 323289530 /nfs/dbraw/zinc/28/95/30/323289530.db2.gz PTRXMHGKVGAWRJ-OALUTQOASA-N 2 1 301.478 2.773 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379654578 323290188 /nfs/dbraw/zinc/29/01/88/323290188.db2.gz JAXWBAPARBHONV-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000379654578 323290192 /nfs/dbraw/zinc/29/01/92/323290192.db2.gz JAXWBAPARBHONV-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379654578 323290196 /nfs/dbraw/zinc/29/01/96/323290196.db2.gz JAXWBAPARBHONV-BHIYHBOVSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379654578 323290201 /nfs/dbraw/zinc/29/02/01/323290201.db2.gz JAXWBAPARBHONV-BHIYHBOVSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000381524086 323294753 /nfs/dbraw/zinc/29/47/53/323294753.db2.gz YJABHOOPXKAIBL-RYPNDVFKSA-N 2 1 313.486 2.606 20 0 DFADMP C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382709412 323301059 /nfs/dbraw/zinc/30/10/59/323301059.db2.gz SMGPKNBUMHIMIJ-RBUKOAKNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758238 323302177 /nfs/dbraw/zinc/30/21/77/323302177.db2.gz STAYUUDQHRPBJC-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758238 323302181 /nfs/dbraw/zinc/30/21/81/323302181.db2.gz STAYUUDQHRPBJC-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758238 323302183 /nfs/dbraw/zinc/30/21/83/323302183.db2.gz STAYUUDQHRPBJC-HOJAQTOUSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758238 323302187 /nfs/dbraw/zinc/30/21/87/323302187.db2.gz STAYUUDQHRPBJC-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758238 323302190 /nfs/dbraw/zinc/30/21/90/323302190.db2.gz STAYUUDQHRPBJC-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758241 323302651 /nfs/dbraw/zinc/30/26/51/323302651.db2.gz STAYUUDQHRPBJC-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758241 323302655 /nfs/dbraw/zinc/30/26/55/323302655.db2.gz STAYUUDQHRPBJC-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758241 323302659 /nfs/dbraw/zinc/30/26/59/323302659.db2.gz STAYUUDQHRPBJC-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758241 323302663 /nfs/dbraw/zinc/30/26/63/323302663.db2.gz STAYUUDQHRPBJC-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)C[C@H]2CCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000382758241 323302668 /nfs/dbraw/zinc/30/26/68/323302668.db2.gz STAYUUDQHRPBJC-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP c1ccc(COC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000384051498 323305412 /nfs/dbraw/zinc/30/54/12/323305412.db2.gz UDQLTAACVRAHAO-IEBWSBKVSA-N 2 1 302.462 2.915 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000386854939 323320842 /nfs/dbraw/zinc/32/08/42/323320842.db2.gz IPOHAMXOZJTQAU-ZWKOTPCHSA-N 2 1 301.478 2.901 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCC1 ZINC000386854939 323320846 /nfs/dbraw/zinc/32/08/46/323320846.db2.gz IPOHAMXOZJTQAU-ZWKOTPCHSA-N 2 1 301.478 2.901 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000387574361 323326580 /nfs/dbraw/zinc/32/65/80/323326580.db2.gz OMBWQSTXVNXCNS-YJBOKZPZSA-N 2 1 302.462 2.872 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388742194 323332629 /nfs/dbraw/zinc/33/26/29/323332629.db2.gz CKIFIDSUGZSTKR-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(O[C@@H]2CCOC2)c1 ZINC000583434949 323853787 /nfs/dbraw/zinc/85/37/87/323853787.db2.gz UAGJNEDYEGHYBJ-SOLBZPMBSA-N 2 1 318.461 2.640 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)c2ccccc21 ZINC000583806374 323916586 /nfs/dbraw/zinc/91/65/86/323916586.db2.gz AEVYPIPTQUQGHV-LSDHHAIUSA-N 2 1 303.793 2.848 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)cn2)c2ccccc21 ZINC000583806373 323916863 /nfs/dbraw/zinc/91/68/63/323916863.db2.gz AEVYPIPTQUQGHV-HUUCEWRRSA-N 2 1 303.793 2.848 20 0 DFADMP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@H](C[NH3+])C1)c1ccccc1Cl ZINC000584524244 337355462 /nfs/dbraw/zinc/35/54/62/337355462.db2.gz ZIWQZTRRLHIIGR-HEHGZKQESA-N 2 1 318.852 2.880 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000309697579 533891636 /nfs/dbraw/zinc/89/16/36/533891636.db2.gz FLABFVJRIGUMIV-YTQUADARSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@H](C)O1 ZINC000294722141 533951265 /nfs/dbraw/zinc/95/12/65/533951265.db2.gz BXYOFMOFIUMYTQ-NEPXVJNWSA-N 2 1 302.462 2.707 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000299510400 534095836 /nfs/dbraw/zinc/09/58/36/534095836.db2.gz BECOYVJHHJUKGD-UHFFFAOYSA-N 2 1 304.434 2.778 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000299510400 534095843 /nfs/dbraw/zinc/09/58/43/534095843.db2.gz BECOYVJHHJUKGD-UHFFFAOYSA-N 2 1 304.434 2.778 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000302240182 534106758 /nfs/dbraw/zinc/10/67/58/534106758.db2.gz XKAYNCIBZLEVEP-AWEZNQCLSA-N 2 1 324.428 2.818 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CC[NH+](C)C[C@@H]1C ZINC000154860354 519631065 /nfs/dbraw/zinc/63/10/65/519631065.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000154860354 519631068 /nfs/dbraw/zinc/63/10/68/519631068.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000154860354 519631071 /nfs/dbraw/zinc/63/10/71/519631071.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000154860354 519631073 /nfs/dbraw/zinc/63/10/73/519631073.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCN(C)C[C@@H]1C ZINC000154860354 519631077 /nfs/dbraw/zinc/63/10/77/519631077.db2.gz GDIWWINELGFRIG-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1[C@@H](O)c1ccc(OC)cc1 ZINC000365191599 520607096 /nfs/dbraw/zinc/60/70/96/520607096.db2.gz SNNGJGRMCDEYBA-MOPGFXCFSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1[C@@H](O)c1ccc(OC)cc1 ZINC000365191599 520607101 /nfs/dbraw/zinc/60/71/01/520607101.db2.gz SNNGJGRMCDEYBA-MOPGFXCFSA-N 2 1 320.477 2.925 20 0 DFADMP NC(=O)c1c[nH+]ccc1NCC1([NH+]2CCCCC2)CCCCC1 ZINC000302232957 534507453 /nfs/dbraw/zinc/50/74/53/534507453.db2.gz STFNDPGLQZUIMT-UHFFFAOYSA-N 2 1 316.449 2.781 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000154561938 521214694 /nfs/dbraw/zinc/21/46/94/521214694.db2.gz JONDZRHTQISKGS-YOEHRIQHSA-N 2 1 319.449 2.536 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000154523203 521643994 /nfs/dbraw/zinc/64/39/94/521643994.db2.gz DXIQMVGUBCOIRZ-QZTJIDSGSA-N 2 1 323.525 2.831 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC000154527688 521680074 /nfs/dbraw/zinc/68/00/74/521680074.db2.gz JEXXGUZJXOSTIJ-INIZCTEOSA-N 2 1 307.457 2.894 20 0 DFADMP CC[C@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H]1CCOC1 ZINC000163519027 522561946 /nfs/dbraw/zinc/56/19/46/522561946.db2.gz GSLHWOINJXEMBS-WBVHZDCISA-N 2 1 303.450 2.764 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848534 523811968 /nfs/dbraw/zinc/81/19/68/523811968.db2.gz ALWZTTYUDIOLHL-DZGCQCFKSA-N 2 1 323.868 2.576 20 0 DFADMP Cc1cnn(CC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000310219074 534741116 /nfs/dbraw/zinc/74/11/16/534741116.db2.gz FSPIDZROIXGFFX-VQTJNVASSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1cnn(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000310219074 534741123 /nfs/dbraw/zinc/74/11/23/534741123.db2.gz FSPIDZROIXGFFX-VQTJNVASSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1cnn(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000310219074 534741126 /nfs/dbraw/zinc/74/11/26/534741126.db2.gz FSPIDZROIXGFFX-VQTJNVASSA-N 2 1 324.472 2.645 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367614686 523989660 /nfs/dbraw/zinc/98/96/60/523989660.db2.gz IUQWOHRZBXVVSU-BZSNNMDCSA-N 2 1 314.477 2.644 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000157877455 524217921 /nfs/dbraw/zinc/21/79/21/524217921.db2.gz HCCWLAYELHOBGS-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000363821959 524632351 /nfs/dbraw/zinc/63/23/51/524632351.db2.gz MMMHNEVPRCPDSI-FUHWJXTLSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000364886324 524639055 /nfs/dbraw/zinc/63/90/55/524639055.db2.gz SBPYWTATLCJNCB-XJKSGUPXSA-N 2 1 322.416 2.675 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000364886324 524639064 /nfs/dbraw/zinc/63/90/64/524639064.db2.gz SBPYWTATLCJNCB-XJKSGUPXSA-N 2 1 322.416 2.675 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccccc1F ZINC000363834624 524970427 /nfs/dbraw/zinc/97/04/27/524970427.db2.gz RXDRASJDEXNUNV-AYBZRNKSSA-N 2 1 320.452 2.847 20 0 DFADMP O=C(NC[C@@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000338149476 526513467 /nfs/dbraw/zinc/51/34/67/526513467.db2.gz FVNNIWMGOIDHHS-ROUUACIJSA-N 2 1 321.509 2.537 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000364155096 526520198 /nfs/dbraw/zinc/52/01/98/526520198.db2.gz IJDLQOVUHUUSBV-KRWDZBQOSA-N 2 1 321.465 2.758 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000364155096 526520203 /nfs/dbraw/zinc/52/02/03/526520203.db2.gz IJDLQOVUHUUSBV-KRWDZBQOSA-N 2 1 321.465 2.758 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000358254786 536481326 /nfs/dbraw/zinc/48/13/26/536481326.db2.gz QEQNSWZMWLHVOY-BBWFWOEESA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000358254786 536481329 /nfs/dbraw/zinc/48/13/29/536481329.db2.gz QEQNSWZMWLHVOY-BBWFWOEESA-N 2 1 308.853 2.632 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000358127839 536481491 /nfs/dbraw/zinc/48/14/91/536481491.db2.gz CIAFHRKEMKPLIF-KRWDZBQOSA-N 2 1 302.443 2.571 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3)s2)C1 ZINC000358127839 536481493 /nfs/dbraw/zinc/48/14/93/536481493.db2.gz CIAFHRKEMKPLIF-KRWDZBQOSA-N 2 1 302.443 2.571 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NCC[NH2+]C(C)C)cc1F ZINC000365096410 527381718 /nfs/dbraw/zinc/38/17/18/527381718.db2.gz BFQDBNWICWFYAE-ZDUSSCGKSA-N 2 1 304.413 2.968 20 0 DFADMP CC1(C)OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000294739856 527803501 /nfs/dbraw/zinc/80/35/01/527803501.db2.gz HBIOCNCYLYLAKE-SFHVURJKSA-N 2 1 320.452 2.990 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841142 527830518 /nfs/dbraw/zinc/83/05/18/527830518.db2.gz BDQZWWKPNUEVSB-WDSOQIARSA-N 2 1 304.478 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841142 527830521 /nfs/dbraw/zinc/83/05/21/527830521.db2.gz BDQZWWKPNUEVSB-WDSOQIARSA-N 2 1 304.478 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841142 527830522 /nfs/dbraw/zinc/83/05/22/527830522.db2.gz BDQZWWKPNUEVSB-WDSOQIARSA-N 2 1 304.478 2.906 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccncc2C)[C@H](C)C1 ZINC000294710750 528663899 /nfs/dbraw/zinc/66/38/99/528663899.db2.gz BIXPYHRZFMACEI-SJLPKXTDSA-N 2 1 305.466 2.617 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)CC[C@H]1CCCC[N@H+]1C)C(C)C ZINC000355940660 535058055 /nfs/dbraw/zinc/05/80/55/535058055.db2.gz YUZPAFZOFYLJQZ-QGZVFWFLSA-N 2 1 311.514 2.828 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)C[C@@H]3C)c2C1 ZINC000362905888 535145770 /nfs/dbraw/zinc/14/57/70/535145770.db2.gz UJZBBCKRPRSHMZ-HOCLYGCPSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@H+](C)C[C@@H]3C)c2C1 ZINC000362905888 535145772 /nfs/dbraw/zinc/14/57/72/535145772.db2.gz UJZBBCKRPRSHMZ-HOCLYGCPSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)C[C@@H]3C)c2C1 ZINC000362905888 535145775 /nfs/dbraw/zinc/14/57/75/535145775.db2.gz UJZBBCKRPRSHMZ-HOCLYGCPSA-N 2 1 315.461 2.794 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(C)c2C)CC1 ZINC000262294814 535457805 /nfs/dbraw/zinc/45/78/05/535457805.db2.gz NRGRWPUXPVDTLG-UHFFFAOYSA-N 2 1 303.450 2.563 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(C)cccc2CC)CC1 ZINC000261701236 535458557 /nfs/dbraw/zinc/45/85/57/535458557.db2.gz KAQSMJLKFUSPDI-UHFFFAOYSA-N 2 1 317.477 2.817 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000358301921 535525651 /nfs/dbraw/zinc/52/56/51/535525651.db2.gz PRHGAQNSFBGQRA-SQNIBIBYSA-N 2 1 324.509 2.815 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)c1ccco1 ZINC000245908885 535675112 /nfs/dbraw/zinc/67/51/12/535675112.db2.gz OFRUUQQGPUFCAG-JKSUJKDBSA-N 2 1 321.465 2.653 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H](C)C1 ZINC000358356707 535769878 /nfs/dbraw/zinc/76/98/78/535769878.db2.gz PGSUGYDUDGUQFE-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H](C)C1 ZINC000358356707 535769886 /nfs/dbraw/zinc/76/98/86/535769886.db2.gz PGSUGYDUDGUQFE-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP Cn1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)c(C(F)F)n1 ZINC000360983978 535924380 /nfs/dbraw/zinc/92/43/80/535924380.db2.gz PFHQUPDXTNHRQE-GFCCVEGCSA-N 2 1 302.413 2.814 20 0 DFADMP CC[C@H](O)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000361368636 535965930 /nfs/dbraw/zinc/96/59/30/535965930.db2.gz RRUCTMBYBDSSLQ-IBGZPJMESA-N 2 1 322.468 2.973 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262018035 536307922 /nfs/dbraw/zinc/30/79/22/536307922.db2.gz XHKSOCOHWHLGQC-PBWFPOADSA-N 2 1 321.852 2.883 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000358238055 536521399 /nfs/dbraw/zinc/52/13/99/536521399.db2.gz CXCGYLUWINUHOG-ZMSDIMECSA-N 2 1 320.477 2.812 20 0 DFADMP COc1cc(C)nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261765459 536692081 /nfs/dbraw/zinc/69/20/81/536692081.db2.gz RQCQRAKNCFVLMC-APWZRJJASA-N 2 1 311.429 2.573 20 0 DFADMP COc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)sc2c1 ZINC000262007731 537052568 /nfs/dbraw/zinc/05/25/68/537052568.db2.gz USUBVJLUPXUPRK-UBHSHLNASA-N 2 1 317.458 2.864 20 0 DFADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)sc2c1 ZINC000262007731 537052572 /nfs/dbraw/zinc/05/25/72/537052572.db2.gz USUBVJLUPXUPRK-UBHSHLNASA-N 2 1 317.458 2.864 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+]Cc3c[nH+]ccc3N(C)C)c2c1 ZINC000680542391 545508330 /nfs/dbraw/zinc/50/83/30/545508330.db2.gz NXEIBUXWCMETNK-UHFFFAOYSA-N 2 1 324.428 2.970 20 0 DFADMP COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C2 ZINC000680543340 545508678 /nfs/dbraw/zinc/50/86/78/545508678.db2.gz PGOIIBOTKOXLKW-QGZVFWFLSA-N 2 1 311.429 2.803 20 0 DFADMP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000681451760 545642347 /nfs/dbraw/zinc/64/23/47/545642347.db2.gz ZXDZJOHAGMYCEX-SQNIBIBYSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1ccc([C@@H]([NH2+]C2CC[NH+](CCO)CC2)C2CCC2)cc1 ZINC000681741938 545712910 /nfs/dbraw/zinc/71/29/10/545712910.db2.gz UDOAEZNPTNURJQ-IBGZPJMESA-N 2 1 302.462 2.883 20 0 DFADMP CCn1c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000681914605 545749833 /nfs/dbraw/zinc/74/98/33/545749833.db2.gz KQUUFSBONXRXRR-HNNXBMFYSA-N 2 1 323.444 2.947 20 0 DFADMP CCn1c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000681914605 545749839 /nfs/dbraw/zinc/74/98/39/545749839.db2.gz KQUUFSBONXRXRR-HNNXBMFYSA-N 2 1 323.444 2.947 20 0 DFADMP COc1ncc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000681928101 545754439 /nfs/dbraw/zinc/75/44/39/545754439.db2.gz HVLZKXTWLARDHD-LBPRGKRZSA-N 2 1 320.824 2.635 20 0 DFADMP COc1ncc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000681928101 545754448 /nfs/dbraw/zinc/75/44/48/545754448.db2.gz HVLZKXTWLARDHD-LBPRGKRZSA-N 2 1 320.824 2.635 20 0 DFADMP CC(C)[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000682075140 545790347 /nfs/dbraw/zinc/79/03/47/545790347.db2.gz RJJYTDBOAHIWNB-SFHVURJKSA-N 2 1 303.494 2.781 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682076607 545791394 /nfs/dbraw/zinc/79/13/94/545791394.db2.gz XPDFFBOGTLNUTK-ICSRJNTNSA-N 2 1 313.489 2.776 20 0 DFADMP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000682154446 545805288 /nfs/dbraw/zinc/80/52/88/545805288.db2.gz CNAWWQXJFZNMSC-VQIMIIECSA-N 2 1 319.468 2.641 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(O)cc3)C2)nc(C)[nH+]1 ZINC000682406275 545840705 /nfs/dbraw/zinc/84/07/05/545840705.db2.gz JOBVCVHSDLNJNV-MRXNPFEDSA-N 2 1 312.417 2.558 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC000682566840 545874593 /nfs/dbraw/zinc/87/45/93/545874593.db2.gz FSEWYRSUDBLWKB-QGZVFWFLSA-N 2 1 303.450 2.951 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000682566840 545874596 /nfs/dbraw/zinc/87/45/96/545874596.db2.gz FSEWYRSUDBLWKB-QGZVFWFLSA-N 2 1 303.450 2.951 20 0 DFADMP COC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000682941757 545945227 /nfs/dbraw/zinc/94/52/27/545945227.db2.gz DDLDSYKHRYAILA-QGZVFWFLSA-N 2 1 310.482 2.569 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c(Cl)c1 ZINC000683471307 546039536 /nfs/dbraw/zinc/03/95/36/546039536.db2.gz PSQUJOJEEZYOCR-LBPRGKRZSA-N 2 1 305.809 2.897 20 0 DFADMP OC[C@H](CC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691432 546076487 /nfs/dbraw/zinc/07/64/87/546076487.db2.gz GSPIFWKKACJGMV-LWYYNNOASA-N 2 1 314.473 2.933 20 0 DFADMP OC[C@@H](CC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691434 546076580 /nfs/dbraw/zinc/07/65/80/546076580.db2.gz GSPIFWKKACJGMV-YSTOQKLRSA-N 2 1 314.473 2.933 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022718 546136771 /nfs/dbraw/zinc/13/67/71/546136771.db2.gz PFLINJTYYVFZKV-BHIYHBOVSA-N 2 1 313.445 2.851 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022718 546136774 /nfs/dbraw/zinc/13/67/74/546136774.db2.gz PFLINJTYYVFZKV-BHIYHBOVSA-N 2 1 313.445 2.851 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000684390995 546208042 /nfs/dbraw/zinc/20/80/42/546208042.db2.gz NBBNBFCPKNDYDY-SJORKVTESA-N 2 1 310.482 2.569 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000684390992 546208165 /nfs/dbraw/zinc/20/81/65/546208165.db2.gz NBBNBFCPKNDYDY-IAGOWNOFSA-N 2 1 310.482 2.569 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C2CC2)O1 ZINC000684411138 546212305 /nfs/dbraw/zinc/21/23/05/546212305.db2.gz AQEBCJPTIABBDS-DNVCBOLYSA-N 2 1 318.461 2.626 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000684534710 546238291 /nfs/dbraw/zinc/23/82/91/546238291.db2.gz GNELYEAOEXUQNA-OAHLLOKOSA-N 2 1 316.424 2.831 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000684534710 546238294 /nfs/dbraw/zinc/23/82/94/546238294.db2.gz GNELYEAOEXUQNA-OAHLLOKOSA-N 2 1 316.424 2.831 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cn1 ZINC000684557407 546243444 /nfs/dbraw/zinc/24/34/44/546243444.db2.gz ZSUQCNQRCAVGPF-ZYHUDNBSSA-N 2 1 321.222 2.706 20 0 DFADMP CC(C)C[N@H+]1CCO[C@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000684565878 546244677 /nfs/dbraw/zinc/24/46/77/546244677.db2.gz MYBSNAGMQKDLOD-CQSZACIVSA-N 2 1 315.417 2.709 20 0 DFADMP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000684987551 546313891 /nfs/dbraw/zinc/31/38/91/546313891.db2.gz YAVRDJDSIDINDW-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP CO[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000685438436 546349717 /nfs/dbraw/zinc/34/97/17/546349717.db2.gz DBCZKDRLONVBEX-IZAXUBKRSA-N 2 1 318.461 2.770 20 0 DFADMP C/C(=C\c1ccccc1OC(F)F)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000685839041 546396985 /nfs/dbraw/zinc/39/69/85/546396985.db2.gz RAILCFPJIIPIEX-KKHVKSAZSA-N 2 1 308.372 2.843 20 0 DFADMP C/C(=C\c1ccccc1OC(F)F)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000685839041 546396989 /nfs/dbraw/zinc/39/69/89/546396989.db2.gz RAILCFPJIIPIEX-KKHVKSAZSA-N 2 1 308.372 2.843 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc([S@](C)=O)cc1 ZINC000272876899 210266673 /nfs/dbraw/zinc/26/66/73/210266673.db2.gz BRXWGNXDWLUJKA-PXARDIRTSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc([S@](C)=O)cc1 ZINC000272876899 210266675 /nfs/dbraw/zinc/26/66/75/210266675.db2.gz BRXWGNXDWLUJKA-PXARDIRTSA-N 2 1 308.491 2.949 20 0 DFADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000181265064 199273283 /nfs/dbraw/zinc/27/32/83/199273283.db2.gz BHLZBYUXSIRBET-LSDHHAIUSA-N 2 1 322.449 2.545 20 0 DFADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278526632 214212966 /nfs/dbraw/zinc/21/29/66/214212966.db2.gz NEJSMZKBLKXMGE-QAPCUYQASA-N 2 1 318.461 2.773 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000278524409 214210599 /nfs/dbraw/zinc/21/05/99/214210599.db2.gz QSGZBAFTRMMXLU-HUUCEWRRSA-N 2 1 314.882 2.869 20 0 DFADMP C[N@@H+](CCN1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000278514155 214204468 /nfs/dbraw/zinc/20/44/68/214204468.db2.gz BTCLZQPJOXZLJF-IBGZPJMESA-N 2 1 301.478 2.536 20 0 DFADMP C[NH+](C)C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365782535 282133169 /nfs/dbraw/zinc/13/31/69/282133169.db2.gz DJGCLECLOXWVNY-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278579788 214251319 /nfs/dbraw/zinc/25/13/19/214251319.db2.gz PZFBSIINQYHCJC-KXBFYZLASA-N 2 1 318.461 2.773 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC2 ZINC000278579788 214251322 /nfs/dbraw/zinc/25/13/22/214251322.db2.gz PZFBSIINQYHCJC-KXBFYZLASA-N 2 1 318.461 2.773 20 0 DFADMP CCn1nc(C)c(C[N@H+](CCC[NH3+])Cc2ccccc2)c1C ZINC000307969950 231095370 /nfs/dbraw/zinc/09/53/70/231095370.db2.gz FIEGOKMNQHEASK-UHFFFAOYSA-N 2 1 300.450 2.871 20 0 DFADMP CCn1nc(C)c(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1C ZINC000307969950 231095374 /nfs/dbraw/zinc/09/53/74/231095374.db2.gz FIEGOKMNQHEASK-UHFFFAOYSA-N 2 1 300.450 2.871 20 0 DFADMP OC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000309681925 231100844 /nfs/dbraw/zinc/10/08/44/231100844.db2.gz AAXMMOREPDKQAJ-PKOBYXMFSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000314465070 231131113 /nfs/dbraw/zinc/13/11/13/231131113.db2.gz MYZLYAQNTUMUTC-CYBMUJFWSA-N 2 1 300.397 2.502 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000314465070 231131114 /nfs/dbraw/zinc/13/11/14/231131114.db2.gz MYZLYAQNTUMUTC-CYBMUJFWSA-N 2 1 300.397 2.502 20 0 DFADMP Nc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ccn1 ZINC000278772491 214389845 /nfs/dbraw/zinc/38/98/45/214389845.db2.gz CMOFVSJDSKAFLX-UHFFFAOYSA-N 2 1 311.433 2.576 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000081396991 398347115 /nfs/dbraw/zinc/34/71/15/398347115.db2.gz OLRQEOVKQXDITL-UHFFFAOYSA-N 2 1 320.481 2.587 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066042189 398355534 /nfs/dbraw/zinc/35/55/34/398355534.db2.gz WOADVHIBYXFNPT-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066042189 398355536 /nfs/dbraw/zinc/35/55/36/398355536.db2.gz WOADVHIBYXFNPT-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)C(F)F ZINC000294933577 529585274 /nfs/dbraw/zinc/58/52/74/529585274.db2.gz BSKFNSSBNQIJPP-JKSUJKDBSA-N 2 1 312.404 2.645 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C4CC4)cc3)C2)CC1 ZINC000459349361 299085339 /nfs/dbraw/zinc/08/53/39/299085339.db2.gz ZRDYEONVHXUSMA-HXUWFJFHSA-N 2 1 313.489 2.776 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C1CCC2(CC1)C(=O)Nc1ccccc12 ZINC000268839943 282209087 /nfs/dbraw/zinc/20/90/87/282209087.db2.gz VLIIHWWHNKNTNB-UHFFFAOYSA-N 2 1 324.428 2.614 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@H](c2ccccc2)C(C)C)CC1 ZINC000096967047 185393986 /nfs/dbraw/zinc/39/39/86/185393986.db2.gz JEILQKVOEILURW-AEFFLSMTSA-N 2 1 317.477 2.526 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000083455300 398387134 /nfs/dbraw/zinc/38/71/34/398387134.db2.gz QYIXCQCOKFTWOF-CYBMUJFWSA-N 2 1 317.433 2.943 20 0 DFADMP COc1cccc(OC)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000286606586 219079030 /nfs/dbraw/zinc/07/90/30/219079030.db2.gz RKNITWICSAHPHG-GOOCMWNKSA-N 2 1 304.434 2.809 20 0 DFADMP COc1cccc(OC)c1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000286606586 219079031 /nfs/dbraw/zinc/07/90/31/219079031.db2.gz RKNITWICSAHPHG-GOOCMWNKSA-N 2 1 304.434 2.809 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCCOC)CC1 ZINC000092537163 185324460 /nfs/dbraw/zinc/32/44/60/185324460.db2.gz CMOHYQPLZPGSJZ-UHFFFAOYSA-N 2 1 319.493 2.687 20 0 DFADMP CCOCC[N@@H+](CC)Cc1ccccc1N1CC[NH+](CC)CC1 ZINC000092537874 185324896 /nfs/dbraw/zinc/32/48/96/185324896.db2.gz KVVQOKDMYMLOPH-UHFFFAOYSA-N 2 1 319.493 2.687 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC000272820634 210221043 /nfs/dbraw/zinc/22/10/43/210221043.db2.gz CZLDEJAVCIUJTF-WMZOPIPTSA-N 2 1 320.477 2.891 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1ccnc1 ZINC000092821062 185343779 /nfs/dbraw/zinc/34/37/79/185343779.db2.gz VPEHGZDRFXKWJK-UHFFFAOYSA-N 2 1 313.449 2.517 20 0 DFADMP Oc1cccnc1C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000584687440 398396629 /nfs/dbraw/zinc/39/66/29/398396629.db2.gz XRMMWXCEJIMYGH-MRXNPFEDSA-N 2 1 303.450 2.875 20 0 DFADMP Oc1cccnc1C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000584687440 398396633 /nfs/dbraw/zinc/39/66/33/398396633.db2.gz XRMMWXCEJIMYGH-MRXNPFEDSA-N 2 1 303.450 2.875 20 0 DFADMP C[C@@H]([NH2+]CCn1cc(Cl)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405872 299098685 /nfs/dbraw/zinc/09/86/85/299098685.db2.gz OCPSZYVRVWPDMY-ZIAGYGMSSA-N 2 1 310.873 2.779 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000262672998 398433706 /nfs/dbraw/zinc/43/37/06/398433706.db2.gz PUVAGCDAACFJNK-HYVNUMGLSA-N 2 1 315.461 2.984 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491667 398433919 /nfs/dbraw/zinc/43/39/19/398433919.db2.gz FWBTZAAVPAJDQA-IAGOWNOFSA-N 2 1 310.482 2.822 20 0 DFADMP C[C@@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000263288367 398434698 /nfs/dbraw/zinc/43/46/98/398434698.db2.gz VMSIGJUOQSVPOC-HOTGVXAUSA-N 2 1 323.525 2.639 20 0 DFADMP Cc1nnc([C@@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)o1 ZINC000585750567 398444264 /nfs/dbraw/zinc/44/42/64/398444264.db2.gz AUQQBTSOLQRVIC-MRXNPFEDSA-N 2 1 323.400 2.943 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297442838 529959488 /nfs/dbraw/zinc/95/94/88/529959488.db2.gz GJOBPICZPNJXAT-IPMKNSEASA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000297442838 529959489 /nfs/dbraw/zinc/95/94/89/529959489.db2.gz GJOBPICZPNJXAT-IPMKNSEASA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000297442838 529959490 /nfs/dbraw/zinc/95/94/90/529959490.db2.gz GJOBPICZPNJXAT-IPMKNSEASA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000297442838 529959492 /nfs/dbraw/zinc/95/94/92/529959492.db2.gz GJOBPICZPNJXAT-IPMKNSEASA-N 2 1 302.462 2.710 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000316578095 530001758 /nfs/dbraw/zinc/00/17/58/530001758.db2.gz DVJBMYMWOMOLHM-CYBMUJFWSA-N 2 1 320.462 2.662 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907392 530059457 /nfs/dbraw/zinc/05/94/57/530059457.db2.gz HCGXKACNDSUDJD-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907392 530059458 /nfs/dbraw/zinc/05/94/58/530059458.db2.gz HCGXKACNDSUDJD-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907392 530059459 /nfs/dbraw/zinc/05/94/59/530059459.db2.gz HCGXKACNDSUDJD-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459487675 299119534 /nfs/dbraw/zinc/11/95/34/299119534.db2.gz HLJLULPSSKLBGB-VQIMIIECSA-N 2 1 300.446 2.981 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccnc1 ZINC000090523902 398488228 /nfs/dbraw/zinc/48/82/28/398488228.db2.gz KEEXELJQVPMDFI-QGTPRVQTSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000090667261 398491013 /nfs/dbraw/zinc/49/10/13/398491013.db2.gz MQVDKWFTNYJFIS-GJYPPUQNSA-N 2 1 316.493 2.537 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000090667261 398491014 /nfs/dbraw/zinc/49/10/14/398491014.db2.gz MQVDKWFTNYJFIS-GJYPPUQNSA-N 2 1 316.493 2.537 20 0 DFADMP OC[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@@H]1c1ccc(F)cc1 ZINC000459517504 299123828 /nfs/dbraw/zinc/12/38/28/299123828.db2.gz WYBBWHLKUYVREW-RTBURBONSA-N 2 1 318.436 2.508 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000090771106 398492620 /nfs/dbraw/zinc/49/26/20/398492620.db2.gz IUXKNURTFXUUKC-JOCBIADPSA-N 2 1 302.462 2.819 20 0 DFADMP C[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090939297 398496868 /nfs/dbraw/zinc/49/68/68/398496868.db2.gz TYLAIXXZCFHGJH-KBXCAEBGSA-N 2 1 306.425 2.600 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000090919626 398496936 /nfs/dbraw/zinc/49/69/36/398496936.db2.gz MFCQEIDEISMXCV-DLBZAZTESA-N 2 1 305.441 2.604 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272704214 210108761 /nfs/dbraw/zinc/10/87/61/210108761.db2.gz ZSFIHSUQQRSDTA-RNIPGJKVSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000588686699 398504007 /nfs/dbraw/zinc/50/40/07/398504007.db2.gz FELXIDNQVSUSNF-JFRXWTBNSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000588686699 398504008 /nfs/dbraw/zinc/50/40/08/398504008.db2.gz FELXIDNQVSUSNF-JFRXWTBNSA-N 2 1 304.478 2.894 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459542619 299129806 /nfs/dbraw/zinc/12/98/06/299129806.db2.gz ARSWAUJRIPBIBD-SFHVURJKSA-N 3 1 302.466 2.514 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459542619 299129809 /nfs/dbraw/zinc/12/98/09/299129809.db2.gz ARSWAUJRIPBIBD-SFHVURJKSA-N 3 1 302.466 2.514 20 0 DFADMP COc1cc(F)cc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459558263 299132900 /nfs/dbraw/zinc/13/29/00/299132900.db2.gz GDVWELYVIRRICW-ZDUSSCGKSA-N 2 1 306.425 2.982 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)c1OC(F)F ZINC000068722607 398522327 /nfs/dbraw/zinc/52/23/27/398522327.db2.gz QHPIUUFEXKCJLM-GFCCVEGCSA-N 2 1 314.376 2.728 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c1OC(F)F ZINC000068722607 398522333 /nfs/dbraw/zinc/52/23/33/398522333.db2.gz QHPIUUFEXKCJLM-GFCCVEGCSA-N 2 1 314.376 2.728 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000315930663 398528988 /nfs/dbraw/zinc/52/89/88/398528988.db2.gz HOVCMAAUGJBGKM-UHFFFAOYSA-N 2 1 320.824 2.951 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000272620907 210021045 /nfs/dbraw/zinc/02/10/45/210021045.db2.gz YGCPONLMJIQDKU-SXXASDTRSA-N 2 1 300.446 2.664 20 0 DFADMP CC(C)OCCOC1CC[NH+](C2CC[NH+](C3CC3)CC2)CC1 ZINC000414138011 295771255 /nfs/dbraw/zinc/77/12/55/295771255.db2.gz FFYULMBCSVDGFR-UHFFFAOYSA-N 2 1 310.482 2.519 20 0 DFADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279739195 215106409 /nfs/dbraw/zinc/10/64/09/215106409.db2.gz XAJMSULORGSMJY-HDICACEKSA-N 2 1 310.445 2.590 20 0 DFADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000279739195 215106412 /nfs/dbraw/zinc/10/64/12/215106412.db2.gz XAJMSULORGSMJY-HDICACEKSA-N 2 1 310.445 2.590 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279739195 215106414 /nfs/dbraw/zinc/10/64/14/215106414.db2.gz XAJMSULORGSMJY-HDICACEKSA-N 2 1 310.445 2.590 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000279739195 215106417 /nfs/dbraw/zinc/10/64/17/215106417.db2.gz XAJMSULORGSMJY-HDICACEKSA-N 2 1 310.445 2.590 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cc1F ZINC000597042413 398553520 /nfs/dbraw/zinc/55/35/20/398553520.db2.gz FEYOPZDGMVBKLG-UHFFFAOYSA-N 2 1 322.424 2.822 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000597047379 398554789 /nfs/dbraw/zinc/55/47/89/398554789.db2.gz OBHBAUSAYSTBKU-UONOGXRCSA-N 2 1 322.836 2.843 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000597047379 398554791 /nfs/dbraw/zinc/55/47/91/398554791.db2.gz OBHBAUSAYSTBKU-UONOGXRCSA-N 2 1 322.836 2.843 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043448 398554931 /nfs/dbraw/zinc/55/49/31/398554931.db2.gz PBOWNSDKSYBVBV-WBVHZDCISA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043448 398554932 /nfs/dbraw/zinc/55/49/32/398554932.db2.gz PBOWNSDKSYBVBV-WBVHZDCISA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043448 398554934 /nfs/dbraw/zinc/55/49/34/398554934.db2.gz PBOWNSDKSYBVBV-WBVHZDCISA-N 2 1 318.461 2.928 20 0 DFADMP C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000286970336 219249797 /nfs/dbraw/zinc/24/97/97/219249797.db2.gz PIYBJCZWZZGSMM-UJJTZGENSA-N 2 1 322.880 2.800 20 0 DFADMP C[NH+](C[C@H](O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286970336 219249800 /nfs/dbraw/zinc/24/98/00/219249800.db2.gz PIYBJCZWZZGSMM-UJJTZGENSA-N 2 1 322.880 2.800 20 0 DFADMP C[NH+](C[C@H](O)Cc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000286970336 219249804 /nfs/dbraw/zinc/24/98/04/219249804.db2.gz PIYBJCZWZZGSMM-UJJTZGENSA-N 2 1 322.880 2.800 20 0 DFADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000323835430 398561420 /nfs/dbraw/zinc/56/14/20/398561420.db2.gz ROCRYRSEYDXDMQ-FUHWJXTLSA-N 2 1 309.457 2.880 20 0 DFADMP C[NH+](C/C=C\C[N@H+](C)C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000340171850 398578818 /nfs/dbraw/zinc/57/88/18/398578818.db2.gz MUANJHOPPBUWCP-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+](C/C=C\C[N@H+](C)C[C@@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000340171850 398578820 /nfs/dbraw/zinc/57/88/20/398578820.db2.gz MUANJHOPPBUWCP-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+](C/C=C\C[N@@H+](C)C[C@@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000340171850 398578822 /nfs/dbraw/zinc/57/88/22/398578822.db2.gz MUANJHOPPBUWCP-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CC=CCC2)cc1 ZINC000279908330 215228225 /nfs/dbraw/zinc/22/82/25/215228225.db2.gz FGHDSOHYVNNEJR-UHFFFAOYSA-N 2 1 315.461 2.520 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000597200210 398588579 /nfs/dbraw/zinc/58/85/79/398588579.db2.gz HDMUMNNEUSOJLY-MRXNPFEDSA-N 2 1 316.445 2.577 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000092890809 398605161 /nfs/dbraw/zinc/60/51/61/398605161.db2.gz GOIXWFKOUYFMNU-KBPBESRZSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000092890809 398605164 /nfs/dbraw/zinc/60/51/64/398605164.db2.gz GOIXWFKOUYFMNU-KBPBESRZSA-N 2 1 314.437 2.503 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(C(=O)OC)cc1 ZINC000590248831 398608046 /nfs/dbraw/zinc/60/80/46/398608046.db2.gz LPALWFCTJZAIKR-HOTGVXAUSA-N 2 1 313.401 2.725 20 0 DFADMP COC(=O)c1cc(CNC[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000597256183 398608542 /nfs/dbraw/zinc/60/85/42/398608542.db2.gz LXDFJKMBZOBPRG-HNNXBMFYSA-N 2 1 320.433 2.586 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)o1 ZINC000597256183 398608544 /nfs/dbraw/zinc/60/85/44/398608544.db2.gz LXDFJKMBZOBPRG-HNNXBMFYSA-N 2 1 320.433 2.586 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000597256183 398608546 /nfs/dbraw/zinc/60/85/46/398608546.db2.gz LXDFJKMBZOBPRG-HNNXBMFYSA-N 2 1 320.433 2.586 20 0 DFADMP COC(=O)C(C)(C)[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000093280168 398627883 /nfs/dbraw/zinc/62/78/83/398627883.db2.gz PGRRJJJTHICYAP-MRXNPFEDSA-N 2 1 321.465 2.883 20 0 DFADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000093280168 398627885 /nfs/dbraw/zinc/62/78/85/398627885.db2.gz PGRRJJJTHICYAP-MRXNPFEDSA-N 2 1 321.465 2.883 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000373548307 282694567 /nfs/dbraw/zinc/69/45/67/282694567.db2.gz NRQGOBYOQTUTFU-QGZVFWFLSA-N 2 1 302.466 2.794 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000155980586 186124461 /nfs/dbraw/zinc/12/44/61/186124461.db2.gz RZJOPKMPHLVGAB-JMSVASOKSA-N 2 1 324.852 2.930 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000155980586 186124463 /nfs/dbraw/zinc/12/44/63/186124463.db2.gz RZJOPKMPHLVGAB-JMSVASOKSA-N 2 1 324.852 2.930 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc(OC)c1 ZINC000093536965 398641355 /nfs/dbraw/zinc/64/13/55/398641355.db2.gz UPWMQQMWAYTTLS-ATZDWAIDSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc(OC)c1 ZINC000093536965 398641359 /nfs/dbraw/zinc/64/13/59/398641359.db2.gz UPWMQQMWAYTTLS-ATZDWAIDSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc(OC)c1 ZINC000093536965 398641363 /nfs/dbraw/zinc/64/13/63/398641363.db2.gz UPWMQQMWAYTTLS-ATZDWAIDSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc(OC)c1 ZINC000093536965 398641365 /nfs/dbraw/zinc/64/13/65/398641365.db2.gz UPWMQQMWAYTTLS-ATZDWAIDSA-N 2 1 316.445 2.620 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000072954191 398650697 /nfs/dbraw/zinc/65/06/97/398650697.db2.gz LUSNMQJJIYHBPQ-HOTGVXAUSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000072954191 398650702 /nfs/dbraw/zinc/65/07/02/398650702.db2.gz LUSNMQJJIYHBPQ-HOTGVXAUSA-N 2 1 320.481 2.776 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459720998 299172687 /nfs/dbraw/zinc/17/26/87/299172687.db2.gz AAWHISVXWCDNMJ-HOTGVXAUSA-N 2 1 303.450 2.725 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000266846588 186357007 /nfs/dbraw/zinc/35/70/07/186357007.db2.gz IBOXWQXAIFIBSA-CYBMUJFWSA-N 2 1 303.406 2.950 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268739128 186373640 /nfs/dbraw/zinc/37/36/40/186373640.db2.gz PEGAGXSPHYIDAB-CQSZACIVSA-N 2 1 303.450 2.588 20 0 DFADMP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268755765 186380046 /nfs/dbraw/zinc/38/00/46/186380046.db2.gz XLIZYHGEADBTTN-IEBWSBKVSA-N 2 1 320.477 2.682 20 0 DFADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268755765 186380048 /nfs/dbraw/zinc/38/00/48/186380048.db2.gz XLIZYHGEADBTTN-IEBWSBKVSA-N 2 1 320.477 2.682 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000459729361 299174922 /nfs/dbraw/zinc/17/49/22/299174922.db2.gz JCUAIJFSERGZEB-HNNXBMFYSA-N 2 1 304.434 2.669 20 0 DFADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000414746917 295819215 /nfs/dbraw/zinc/81/92/15/295819215.db2.gz MGVYGVASHDOHFD-INIZCTEOSA-N 2 1 321.440 2.850 20 0 DFADMP COc1cc(C)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459731209 299174820 /nfs/dbraw/zinc/17/48/20/299174820.db2.gz KXFIYJDRZQXGSF-OAHLLOKOSA-N 2 1 306.450 2.834 20 0 DFADMP C[C@@H]([NH3+])CC[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414823765 295822195 /nfs/dbraw/zinc/82/21/95/295822195.db2.gz PIWSROVIAVWMSK-SNVBAGLBSA-N 2 1 323.238 2.666 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844755 295825164 /nfs/dbraw/zinc/82/51/64/295825164.db2.gz LHQZUPHKKRBDSQ-LSDHHAIUSA-N 2 1 303.450 2.869 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414851293 295826071 /nfs/dbraw/zinc/82/60/71/295826071.db2.gz IXFVAVOFYFSCLG-VXGBXAGGSA-N 2 1 312.841 2.835 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000459744040 299179648 /nfs/dbraw/zinc/17/96/48/299179648.db2.gz XPFQQAPOKPFJJC-UKRRQHHQSA-N 2 1 309.479 2.816 20 0 DFADMP CC[NH2+]Cc1ccccc1NCc1ncc(C[NH+](C)C)s1 ZINC000414868625 295828328 /nfs/dbraw/zinc/82/83/28/295828328.db2.gz PBHHJZQBLLHYAQ-UHFFFAOYSA-N 2 1 304.463 2.926 20 0 DFADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000593610972 398661792 /nfs/dbraw/zinc/66/17/92/398661792.db2.gz GLUGBXPPUVAFLJ-HNNXBMFYSA-N 2 1 310.482 2.986 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OCC(C)C ZINC000414888216 295830469 /nfs/dbraw/zinc/83/04/69/295830469.db2.gz DZEWZMQMWZNCNU-INIZCTEOSA-N 2 1 306.450 2.947 20 0 DFADMP [NH3+][C@H](C[NH2+]Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000414888960 295830805 /nfs/dbraw/zinc/83/08/05/295830805.db2.gz FUPPTIWFFGBUGD-GFCCVEGCSA-N 2 1 303.631 2.929 20 0 DFADMP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(OC(F)F)c1 ZINC000414898093 295832032 /nfs/dbraw/zinc/83/20/32/295832032.db2.gz FYSHKEYPHNHYIZ-INIZCTEOSA-N 2 1 314.376 2.776 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000414924106 295835705 /nfs/dbraw/zinc/83/57/05/295835705.db2.gz GGFWTFHTXJFZJW-JONQDZQNSA-N 2 1 310.482 2.722 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+]C2(C)CC[NH2+]CC2)cc1OC ZINC000414938358 295837739 /nfs/dbraw/zinc/83/77/39/295837739.db2.gz ILYAQXRSJCPHIR-UHFFFAOYSA-N 2 1 312.841 2.979 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000414998158 295845653 /nfs/dbraw/zinc/84/56/53/295845653.db2.gz HZCUBKNAOXTHSM-LBPRGKRZSA-N 2 1 316.779 2.609 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc2cccnc12 ZINC000415002805 295846146 /nfs/dbraw/zinc/84/61/46/295846146.db2.gz NYEJNZLBGWJJKC-HNNXBMFYSA-N 2 1 305.372 2.878 20 0 DFADMP FC(F)Oc1ccccc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415005055 295846552 /nfs/dbraw/zinc/84/65/52/295846552.db2.gz OQDCORBBARMIAN-LLVKDONJSA-N 2 1 306.303 2.622 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858038 191239088 /nfs/dbraw/zinc/23/90/88/191239088.db2.gz UGOBZLQIMKSBNU-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH+](C)CC)C1 ZINC000072858038 191239092 /nfs/dbraw/zinc/23/90/92/191239092.db2.gz UGOBZLQIMKSBNU-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@H](C[N@H+](C)CC)C1 ZINC000072858038 191239094 /nfs/dbraw/zinc/23/90/94/191239094.db2.gz UGOBZLQIMKSBNU-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858038 191239097 /nfs/dbraw/zinc/23/90/97/191239097.db2.gz UGOBZLQIMKSBNU-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)s2)cn1 ZINC000459785515 299192519 /nfs/dbraw/zinc/19/25/19/299192519.db2.gz OTBWIUQRPRLLFJ-AWEZNQCLSA-N 2 1 318.490 2.970 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(-n3ccnc3)cs2)C1 ZINC000459797453 299195593 /nfs/dbraw/zinc/19/55/93/299195593.db2.gz WRCOGRASSUQHHU-AWEZNQCLSA-N 2 1 304.463 2.755 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)c(C(F)(F)F)c1 ZINC000401706278 398688018 /nfs/dbraw/zinc/68/80/18/398688018.db2.gz BCCAYAHFFYDMSO-UHFFFAOYSA-N 2 1 301.287 2.910 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911312 198268345 /nfs/dbraw/zinc/26/83/45/198268345.db2.gz PMWYRFBNUTXHGW-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911312 198268347 /nfs/dbraw/zinc/26/83/47/198268347.db2.gz PMWYRFBNUTXHGW-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911312 198268348 /nfs/dbraw/zinc/26/83/48/198268348.db2.gz PMWYRFBNUTXHGW-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000404365973 398691801 /nfs/dbraw/zinc/69/18/01/398691801.db2.gz HHXKYBNWHMTCPU-TZMCWYRMSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000404365973 398691803 /nfs/dbraw/zinc/69/18/03/398691803.db2.gz HHXKYBNWHMTCPU-TZMCWYRMSA-N 2 1 307.394 2.553 20 0 DFADMP C[N@H+](CCC(=O)Nc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000173956150 198273116 /nfs/dbraw/zinc/27/31/16/198273116.db2.gz HVFZLAQMQASNLI-QGZVFWFLSA-N 2 1 303.450 2.821 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000173956150 198273118 /nfs/dbraw/zinc/27/31/18/198273118.db2.gz HVFZLAQMQASNLI-QGZVFWFLSA-N 2 1 303.450 2.821 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000173956150 198273121 /nfs/dbraw/zinc/27/31/21/198273121.db2.gz HVFZLAQMQASNLI-QGZVFWFLSA-N 2 1 303.450 2.821 20 0 DFADMP CC(C)c1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000105476579 398693378 /nfs/dbraw/zinc/69/33/78/398693378.db2.gz PFVAXZIXFBHRBD-UHFFFAOYSA-N 2 1 303.494 2.927 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC000415126127 295861946 /nfs/dbraw/zinc/86/19/46/295861946.db2.gz PHVKKGZFOFZSPJ-CXAGYDPISA-N 2 1 310.388 2.683 20 0 DFADMP Cn1cncc1CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)CC1 ZINC000590958241 398708352 /nfs/dbraw/zinc/70/83/52/398708352.db2.gz CTQIFZOYKVWCKQ-OAHLLOKOSA-N 2 1 321.465 2.797 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000073895167 398707707 /nfs/dbraw/zinc/70/77/07/398707707.db2.gz OWDLXLNGIPYJLN-GOSISDBHSA-N 2 1 320.477 2.539 20 0 DFADMP Cc1ccccc1OC[C@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000073895167 398707709 /nfs/dbraw/zinc/70/77/09/398707709.db2.gz OWDLXLNGIPYJLN-GOSISDBHSA-N 2 1 320.477 2.539 20 0 DFADMP CCCNC(=O)C1([NH2+]CCCCn2cc[nH+]c2C)CCCCC1 ZINC000129174667 283005389 /nfs/dbraw/zinc/00/53/89/283005389.db2.gz PPMJHMIRAGLMQC-UHFFFAOYSA-N 2 1 320.481 2.790 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000130382512 283047806 /nfs/dbraw/zinc/04/78/06/283047806.db2.gz AJELEGTZSPGQFX-WBVHZDCISA-N 2 1 315.461 2.857 20 0 DFADMP Cc1csc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000131078159 283071059 /nfs/dbraw/zinc/07/10/59/283071059.db2.gz VGISBSFEXBRVRD-UHFFFAOYSA-N 2 1 309.479 2.528 20 0 DFADMP CC(C)[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)CC1 ZINC000114729010 398746882 /nfs/dbraw/zinc/74/68/82/398746882.db2.gz VXCSSCXULVYGCK-QGZVFWFLSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000290679901 299233791 /nfs/dbraw/zinc/23/37/91/299233791.db2.gz HRXFRWYECGELJL-LAQRGFTBSA-N 2 1 317.477 2.524 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353628830 283141415 /nfs/dbraw/zinc/14/14/15/283141415.db2.gz CBGYTFFZRSELGP-JSRQGNBESA-N 2 1 310.507 2.504 20 0 DFADMP C[N@H+]1CC[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000591440906 398761687 /nfs/dbraw/zinc/76/16/87/398761687.db2.gz JWCMIEGYBSJLNT-QGZVFWFLSA-N 2 1 315.461 2.605 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000047978541 398766869 /nfs/dbraw/zinc/76/68/69/398766869.db2.gz GQNHQIOHAQXSGA-UHFFFAOYSA-N 2 1 303.450 2.679 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000081363259 192257706 /nfs/dbraw/zinc/25/77/06/192257706.db2.gz YWGUSXVJMZLQGV-KRWDZBQOSA-N 2 1 317.477 2.552 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000081568901 192292481 /nfs/dbraw/zinc/29/24/81/192292481.db2.gz HVMAFCJXDGXPAH-INIZCTEOSA-N 2 1 304.434 2.637 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000081568901 192292482 /nfs/dbraw/zinc/29/24/82/192292482.db2.gz HVMAFCJXDGXPAH-INIZCTEOSA-N 2 1 304.434 2.637 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000081568901 192292485 /nfs/dbraw/zinc/29/24/85/192292485.db2.gz HVMAFCJXDGXPAH-INIZCTEOSA-N 2 1 304.434 2.637 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000081568901 192292487 /nfs/dbraw/zinc/29/24/87/192292487.db2.gz HVMAFCJXDGXPAH-INIZCTEOSA-N 2 1 304.434 2.637 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000359775985 283185466 /nfs/dbraw/zinc/18/54/66/283185466.db2.gz VBOGLYXWGBWENK-DLBZAZTESA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000359775985 283185469 /nfs/dbraw/zinc/18/54/69/283185469.db2.gz VBOGLYXWGBWENK-DLBZAZTESA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000359775985 283185472 /nfs/dbraw/zinc/18/54/72/283185472.db2.gz VBOGLYXWGBWENK-DLBZAZTESA-N 2 1 319.493 2.744 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000591718900 398782836 /nfs/dbraw/zinc/78/28/36/398782836.db2.gz QOWFLQDZVJTYIH-VLGSPTGOSA-N 2 1 301.478 2.707 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236969666 202100329 /nfs/dbraw/zinc/10/03/29/202100329.db2.gz HCHWIHGEGBTCSE-CRAIPNDOSA-N 2 1 317.477 2.662 20 0 DFADMP CS[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000591759498 398784750 /nfs/dbraw/zinc/78/47/50/398784750.db2.gz WIVSQLSCEGSYCD-SJORKVTESA-N 2 1 324.534 2.847 20 0 DFADMP CS[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000591759498 398784752 /nfs/dbraw/zinc/78/47/52/398784752.db2.gz WIVSQLSCEGSYCD-SJORKVTESA-N 2 1 324.534 2.847 20 0 DFADMP CC[C@@]1(C)C[NH+](CCCC[N@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676545 283227250 /nfs/dbraw/zinc/22/72/50/283227250.db2.gz YEWHCLXMDKZZGD-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP COc1ccc(OC)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000237238005 202200095 /nfs/dbraw/zinc/20/00/95/202200095.db2.gz LRJKOPDKUNVCCA-ZDUSSCGKSA-N 2 1 303.406 2.635 20 0 DFADMP CCCN(CC[NH+](CC)CC)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356149991 283232509 /nfs/dbraw/zinc/23/25/09/283232509.db2.gz VKIGXBCQROGOIW-QGZVFWFLSA-N 2 1 311.514 2.831 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCc3ccccc32)C1 ZINC000331697580 283265186 /nfs/dbraw/zinc/26/51/86/283265186.db2.gz DFYSESUKWLKIMQ-NVXWUHKLSA-N 2 1 301.434 2.901 20 0 DFADMP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000594494440 398808859 /nfs/dbraw/zinc/80/88/59/398808859.db2.gz BHVLFSPYHRYFKC-IXDOHACOSA-N 2 1 312.523 2.894 20 0 DFADMP CCSCC[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594495492 398809628 /nfs/dbraw/zinc/80/96/28/398809628.db2.gz AOCPOCXRYDWXJF-GDBMZVCRSA-N 2 1 300.512 2.751 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000594510518 398812948 /nfs/dbraw/zinc/81/29/48/398812948.db2.gz AFNFLQNAHQSKRZ-PMPSAXMXSA-N 2 1 310.482 2.817 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@H]1C ZINC000354491952 291120369 /nfs/dbraw/zinc/12/03/69/291120369.db2.gz DJYFQYVWEVMGHC-WRKLXWPFSA-N 2 1 308.466 2.569 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@H]1C ZINC000354491952 291120371 /nfs/dbraw/zinc/12/03/71/291120371.db2.gz DJYFQYVWEVMGHC-WRKLXWPFSA-N 2 1 308.466 2.569 20 0 DFADMP CCCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000179754963 199076610 /nfs/dbraw/zinc/07/66/10/199076610.db2.gz AHFVDGQSLISXPF-KRWDZBQOSA-N 2 1 319.449 2.619 20 0 DFADMP CCOC(=O)[C@H]([NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1)C1CCCCCC1 ZINC000594583216 398824481 /nfs/dbraw/zinc/82/44/81/398824481.db2.gz BWIYMGBPYQVMMG-ZMSDIMECSA-N 2 1 310.482 2.866 20 0 DFADMP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180121045 199119614 /nfs/dbraw/zinc/11/96/14/199119614.db2.gz RWBKMIBWKSLCDC-ZDUSSCGKSA-N 2 1 321.856 2.805 20 0 DFADMP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180121045 199119615 /nfs/dbraw/zinc/11/96/15/199119615.db2.gz RWBKMIBWKSLCDC-ZDUSSCGKSA-N 2 1 321.856 2.805 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCCO2 ZINC000295921299 299273749 /nfs/dbraw/zinc/27/37/49/299273749.db2.gz JWKGRKLNKGLWGD-WWTUQBGBSA-N 2 1 302.418 2.734 20 0 DFADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000594920938 398871490 /nfs/dbraw/zinc/87/14/90/398871490.db2.gz CGXSKFLZRGFMFF-JCGIZDLHSA-N 2 1 318.461 2.814 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000180671491 199194600 /nfs/dbraw/zinc/19/46/00/199194600.db2.gz UALDWIWHOXTTCO-PVAVHDDUSA-N 2 1 304.434 2.753 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000180671491 199194601 /nfs/dbraw/zinc/19/46/01/199194601.db2.gz UALDWIWHOXTTCO-PVAVHDDUSA-N 2 1 304.434 2.753 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000172118853 283384633 /nfs/dbraw/zinc/38/46/33/283384633.db2.gz HZTCQEARSPPPQE-LBPRGKRZSA-N 2 1 317.824 2.919 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1(C)C ZINC000598974058 398901360 /nfs/dbraw/zinc/90/13/60/398901360.db2.gz LGIYASWIYGTXPF-IERDGZPVSA-N 2 1 308.491 2.528 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1(C)C ZINC000598974058 398901363 /nfs/dbraw/zinc/90/13/63/398901363.db2.gz LGIYASWIYGTXPF-IERDGZPVSA-N 2 1 308.491 2.528 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000595099531 398905365 /nfs/dbraw/zinc/90/53/65/398905365.db2.gz NJFWSHOXHSSWFI-GJZGRUSLSA-N 2 1 310.482 2.818 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@@H](C)C1 ZINC000595099533 398905611 /nfs/dbraw/zinc/90/56/11/398905611.db2.gz NJFWSHOXHSSWFI-LSDHHAIUSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000599071650 398917497 /nfs/dbraw/zinc/91/74/97/398917497.db2.gz RUAKSRHUDQRIMV-QWHCGFSZSA-N 2 1 310.463 2.917 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000599071650 398917500 /nfs/dbraw/zinc/91/75/00/398917500.db2.gz RUAKSRHUDQRIMV-QWHCGFSZSA-N 2 1 310.463 2.917 20 0 DFADMP C[C@H](CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000237567104 202286084 /nfs/dbraw/zinc/28/60/84/202286084.db2.gz PHZASWRAAFILFU-YFHUEUNASA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237668738 202323674 /nfs/dbraw/zinc/32/36/74/202323674.db2.gz VXRKPDXPELYZBF-SJLPKXTDSA-N 2 1 317.477 2.847 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)C1 ZINC000237675601 202325871 /nfs/dbraw/zinc/32/58/71/202325871.db2.gz MTHSSCABMAAMOT-HNNXBMFYSA-N 2 1 315.461 2.857 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337060 398924223 /nfs/dbraw/zinc/92/42/23/398924223.db2.gz JJPBNPJXCHQADX-CVEARBPZSA-N 2 1 317.468 2.768 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC[C@@H](O)C1 ZINC000188833095 200310125 /nfs/dbraw/zinc/31/01/25/200310125.db2.gz WIUPKZBGEFBZNJ-ZWKOTPCHSA-N 2 1 304.478 2.895 20 0 DFADMP Cn1cncc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000471866455 299311127 /nfs/dbraw/zinc/31/11/27/299311127.db2.gz UIJUPZRUFXXBRT-HKUYNNGSSA-N 2 1 312.461 2.592 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC)C2)c1C ZINC000600121480 398958201 /nfs/dbraw/zinc/95/82/01/398958201.db2.gz VAFFPABDDOWFRV-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC)C2)c1C ZINC000600121480 398958202 /nfs/dbraw/zinc/95/82/02/398958202.db2.gz VAFFPABDDOWFRV-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC)C2)c1C ZINC000600121480 398958195 /nfs/dbraw/zinc/95/81/95/398958195.db2.gz VAFFPABDDOWFRV-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP C[C@@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000292446402 223086045 /nfs/dbraw/zinc/08/60/45/223086045.db2.gz XLSUNHCBVKFLKA-WBVHZDCISA-N 2 1 305.441 2.821 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC)C2)c1C ZINC000600121480 398958197 /nfs/dbraw/zinc/95/81/97/398958197.db2.gz VAFFPABDDOWFRV-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP C[C@@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000292446402 223086048 /nfs/dbraw/zinc/08/60/48/223086048.db2.gz XLSUNHCBVKFLKA-WBVHZDCISA-N 2 1 305.441 2.821 20 0 DFADMP C[C@@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000292446402 223086051 /nfs/dbraw/zinc/08/60/51/223086051.db2.gz XLSUNHCBVKFLKA-WBVHZDCISA-N 2 1 305.441 2.821 20 0 DFADMP C[C@@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000292446402 223086054 /nfs/dbraw/zinc/08/60/54/223086054.db2.gz XLSUNHCBVKFLKA-WBVHZDCISA-N 2 1 305.441 2.821 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)CC[N@@H+]1C ZINC000292757065 223231473 /nfs/dbraw/zinc/23/14/73/223231473.db2.gz IPQAVADWWPVOEQ-NUEKZKHPSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)CC[N@H+]1C ZINC000292757065 223231475 /nfs/dbraw/zinc/23/14/75/223231475.db2.gz IPQAVADWWPVOEQ-NUEKZKHPSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC[NH+]1C ZINC000292757065 223231478 /nfs/dbraw/zinc/23/14/78/223231478.db2.gz IPQAVADWWPVOEQ-NUEKZKHPSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC[NH+]1C ZINC000292757065 223231480 /nfs/dbraw/zinc/23/14/80/223231480.db2.gz IPQAVADWWPVOEQ-NUEKZKHPSA-N 2 1 302.418 2.881 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1NCC1CC[NH+](C2CC2)CC1 ZINC000281443776 216303427 /nfs/dbraw/zinc/30/34/27/216303427.db2.gz KIHKGSAPHBUKTD-UHFFFAOYSA-N 2 1 303.406 2.545 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271868054 209281427 /nfs/dbraw/zinc/28/14/27/209281427.db2.gz LVYNIURATXVZSA-GOSISDBHSA-N 2 1 306.425 2.625 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2sccc2Cl)CC1 ZINC000194385675 201214573 /nfs/dbraw/zinc/21/45/73/201214573.db2.gz SYBHVAHPOHLVAQ-LBPRGKRZSA-N 2 1 316.898 2.926 20 0 DFADMP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000292903096 223300158 /nfs/dbraw/zinc/30/01/58/223300158.db2.gz DXUAGRHVTKBFNE-VQIMIIECSA-N 2 1 302.462 2.792 20 0 DFADMP [NH2+]=C(NC[C@H](c1cccs1)[NH+]1CCCC1)NC1CCCC1 ZINC000195522071 201399119 /nfs/dbraw/zinc/39/91/19/201399119.db2.gz FROAEWSAKLSZGE-CQSZACIVSA-N 2 1 306.479 2.942 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)[C@@H](C)C1 ZINC000417801892 296052498 /nfs/dbraw/zinc/05/24/98/296052498.db2.gz ZVMVFFQDVRYBFZ-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)[C@@H](C)C1 ZINC000417801892 296052499 /nfs/dbraw/zinc/05/24/99/296052499.db2.gz ZVMVFFQDVRYBFZ-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)[C@@H](C)C1 ZINC000417801892 296052501 /nfs/dbraw/zinc/05/25/01/296052501.db2.gz ZVMVFFQDVRYBFZ-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)[C@@H](C)C1 ZINC000417801892 296052502 /nfs/dbraw/zinc/05/25/02/296052502.db2.gz ZVMVFFQDVRYBFZ-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2c(F)cccc2N2CCCC2)CC1 ZINC000271845469 209262440 /nfs/dbraw/zinc/26/24/40/209262440.db2.gz GUVBIUGSAOFUFI-UHFFFAOYSA-N 2 1 303.425 2.777 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000474620036 299337810 /nfs/dbraw/zinc/33/78/10/299337810.db2.gz ZIZWRANIEZIFFN-GASCZTMLSA-N 2 1 312.498 2.922 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000417951269 296065787 /nfs/dbraw/zinc/06/57/87/296065787.db2.gz YNZWNWCHLIKKCQ-YOEHRIQHSA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000417951269 296065789 /nfs/dbraw/zinc/06/57/89/296065789.db2.gz YNZWNWCHLIKKCQ-YOEHRIQHSA-N 2 1 318.490 2.963 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621659621 399012772 /nfs/dbraw/zinc/01/27/72/399012772.db2.gz NWVABMFTNVCVAD-XDNAFOTISA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000417951266 296066008 /nfs/dbraw/zinc/06/60/08/296066008.db2.gz YNZWNWCHLIKKCQ-PBHICJAKSA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)n(C)n1 ZINC000417951266 296066009 /nfs/dbraw/zinc/06/60/09/296066009.db2.gz YNZWNWCHLIKKCQ-PBHICJAKSA-N 2 1 318.490 2.963 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000275488829 212367042 /nfs/dbraw/zinc/36/70/42/212367042.db2.gz IXKWNJINYUHMKW-ZDUSSCGKSA-N 2 1 305.809 2.897 20 0 DFADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[N@@H+](C)C1 ZINC000275426893 212324893 /nfs/dbraw/zinc/32/48/93/212324893.db2.gz FMHVVIXZTMNTIP-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000275426893 212324886 /nfs/dbraw/zinc/32/48/86/212324886.db2.gz FMHVVIXZTMNTIP-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[NH+](C)C1 ZINC000275426893 212324888 /nfs/dbraw/zinc/32/48/88/212324888.db2.gz FMHVVIXZTMNTIP-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@@H]1CC[N@H+](C)C1 ZINC000275426893 212324890 /nfs/dbraw/zinc/32/48/90/212324890.db2.gz FMHVVIXZTMNTIP-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP C[C@@H](CC[NH2+]Cc1ccccc1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000418010120 296071163 /nfs/dbraw/zinc/07/11/63/296071163.db2.gz SJTMGBMOLKFFTR-INIZCTEOSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587175 399022740 /nfs/dbraw/zinc/02/27/40/399022740.db2.gz DMLGAPWUPMMBKG-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587175 399022745 /nfs/dbraw/zinc/02/27/45/399022745.db2.gz DMLGAPWUPMMBKG-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587175 399022749 /nfs/dbraw/zinc/02/27/49/399022749.db2.gz DMLGAPWUPMMBKG-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591998 399024351 /nfs/dbraw/zinc/02/43/51/399024351.db2.gz XDZYCWNGISKWAN-HOCLYGCPSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591998 399024356 /nfs/dbraw/zinc/02/43/56/399024356.db2.gz XDZYCWNGISKWAN-HOCLYGCPSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591998 399024362 /nfs/dbraw/zinc/02/43/62/399024362.db2.gz XDZYCWNGISKWAN-HOCLYGCPSA-N 2 1 321.465 2.881 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000091336546 193043815 /nfs/dbraw/zinc/04/38/15/193043815.db2.gz NNPYUYOJYWUYGZ-RTBURBONSA-N 2 1 302.462 2.964 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000091593600 193076644 /nfs/dbraw/zinc/07/66/44/193076644.db2.gz AXRZTCGPAHOBGJ-RRFJBIMHSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1C ZINC000091593600 193076646 /nfs/dbraw/zinc/07/66/46/193076646.db2.gz AXRZTCGPAHOBGJ-RRFJBIMHSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1C ZINC000091593600 193076648 /nfs/dbraw/zinc/07/66/48/193076648.db2.gz AXRZTCGPAHOBGJ-RRFJBIMHSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1C ZINC000091593600 193076649 /nfs/dbraw/zinc/07/66/49/193076649.db2.gz AXRZTCGPAHOBGJ-RRFJBIMHSA-N 2 1 320.433 2.852 20 0 DFADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000091980608 193136401 /nfs/dbraw/zinc/13/64/01/193136401.db2.gz SBQBTVMDGGLZMG-QGZVFWFLSA-N 2 1 319.468 2.990 20 0 DFADMP COC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000079442872 399045794 /nfs/dbraw/zinc/04/57/94/399045794.db2.gz AFMAOPNRAWVHIC-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000079442872 399045799 /nfs/dbraw/zinc/04/57/99/399045799.db2.gz AFMAOPNRAWVHIC-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000079442872 399045802 /nfs/dbraw/zinc/04/58/02/399045802.db2.gz AFMAOPNRAWVHIC-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000079442872 399045805 /nfs/dbraw/zinc/04/58/05/399045805.db2.gz AFMAOPNRAWVHIC-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000477925142 299364273 /nfs/dbraw/zinc/36/42/73/299364273.db2.gz HWUKPECPGOSWPY-FCGDIQPGSA-N 2 1 300.446 2.981 20 0 DFADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000477925141 299364639 /nfs/dbraw/zinc/36/46/39/299364639.db2.gz HWUKPECPGOSWPY-AKHDSKFASA-N 2 1 300.446 2.981 20 0 DFADMP CCCc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)s1 ZINC000621727613 399051102 /nfs/dbraw/zinc/05/11/02/399051102.db2.gz KMJOQEFTZGEGHL-UHFFFAOYSA-N 2 1 309.523 2.770 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CC(C)(C)C[NH+](C)C)c2ccccc21 ZINC000621749074 399064029 /nfs/dbraw/zinc/06/40/29/399064029.db2.gz RITOFDJIUMVLTP-INIZCTEOSA-N 2 1 303.450 2.662 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621749156 399064089 /nfs/dbraw/zinc/06/40/89/399064089.db2.gz SXJDSRXUGJBOCK-KRWDZBQOSA-N 2 1 301.434 2.558 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000606439209 399070107 /nfs/dbraw/zinc/07/01/07/399070107.db2.gz KSJFKSGFYFBRSW-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CCO[C@@H]1CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000606439208 399070892 /nfs/dbraw/zinc/07/08/92/399070892.db2.gz KSJFKSGFYFBRSW-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@H](OCC)C2)C1 ZINC000606439208 399070894 /nfs/dbraw/zinc/07/08/94/399070894.db2.gz KSJFKSGFYFBRSW-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CCO[C@@H]1CCC[N@H+](C[C@@H](C)C[NH+]2CCC[C@H](OCC)C2)C1 ZINC000606439208 399070897 /nfs/dbraw/zinc/07/08/97/399070897.db2.gz KSJFKSGFYFBRSW-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000621763131 399072443 /nfs/dbraw/zinc/07/24/43/399072443.db2.gz RCPBCIRROHTVKG-AEFFLSMTSA-N 2 1 315.461 2.806 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780890 399076987 /nfs/dbraw/zinc/07/69/87/399076987.db2.gz WZBLNFQBEILYGC-CXAGYDPISA-N 2 1 319.474 2.550 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621780890 399076992 /nfs/dbraw/zinc/07/69/92/399076992.db2.gz WZBLNFQBEILYGC-CXAGYDPISA-N 2 1 319.474 2.550 20 0 DFADMP COCCCOc1cccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253959 193181473 /nfs/dbraw/zinc/18/14/73/193181473.db2.gz QRPJOIHVYYZMFU-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP COCCCOc1cccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000092253959 193181475 /nfs/dbraw/zinc/18/14/75/193181475.db2.gz QRPJOIHVYYZMFU-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP COCCCOc1cccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000092253959 193181477 /nfs/dbraw/zinc/18/14/77/193181477.db2.gz QRPJOIHVYYZMFU-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP COCCCOc1cccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000092253959 193181478 /nfs/dbraw/zinc/18/14/78/193181478.db2.gz QRPJOIHVYYZMFU-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@H](O)C(F)(F)F)CC1 ZINC000305742402 284051214 /nfs/dbraw/zinc/05/12/14/284051214.db2.gz SOPLXLCKSNYNSS-AWEZNQCLSA-N 2 1 319.371 2.607 20 0 DFADMP Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000419005392 296123876 /nfs/dbraw/zinc/12/38/76/296123876.db2.gz PIKNTTXPRXGBKJ-UONOGXRCSA-N 2 1 317.408 2.574 20 0 DFADMP CC[C@H](C[NH+]1CCC[C@@H]([N@H+](C)C[C@H](CC)OC)CC1)OC ZINC000419247565 296130027 /nfs/dbraw/zinc/13/00/27/296130027.db2.gz XFZGZFCMKDCAEY-IXDOHACOSA-N 2 1 300.487 2.623 20 0 DFADMP CC[C@H](C[N@H+]1CCC[C@@H]([NH+](C)C[C@H](CC)OC)CC1)OC ZINC000419247565 296130029 /nfs/dbraw/zinc/13/00/29/296130029.db2.gz XFZGZFCMKDCAEY-IXDOHACOSA-N 2 1 300.487 2.623 20 0 DFADMP CC[C@H](C[N@@H+]1CCC[C@@H]([NH+](C)C[C@H](CC)OC)CC1)OC ZINC000419247565 296130031 /nfs/dbraw/zinc/13/00/31/296130031.db2.gz XFZGZFCMKDCAEY-IXDOHACOSA-N 2 1 300.487 2.623 20 0 DFADMP CCCC[N@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000338239351 284093731 /nfs/dbraw/zinc/09/37/31/284093731.db2.gz POFBZJSIKKBBRT-UHFFFAOYSA-N 2 1 309.498 2.585 20 0 DFADMP CCCC[N@@H+](CCC(=O)N1CC[NH+](C)CC1)C1CCCCC1 ZINC000338239351 284093735 /nfs/dbraw/zinc/09/37/35/284093735.db2.gz POFBZJSIKKBBRT-UHFFFAOYSA-N 2 1 309.498 2.585 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)NC1CCC(C)CC1 ZINC000419285116 296131797 /nfs/dbraw/zinc/13/17/97/296131797.db2.gz DDEZZSPHHBKXDX-HWOWSKLDSA-N 2 1 321.509 2.676 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000123049423 299398845 /nfs/dbraw/zinc/39/88/45/299398845.db2.gz KTWNSCDYSKBKOB-NFFDBFGFSA-N 2 1 304.438 2.557 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262095442 203197000 /nfs/dbraw/zinc/19/70/00/203197000.db2.gz BNVRURBJTHKWQY-YJBOKZPZSA-N 2 1 305.466 2.531 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000482163442 299400987 /nfs/dbraw/zinc/40/09/87/299400987.db2.gz LNOBEZKRBSZILS-DOTOQJQBSA-N 2 1 309.498 2.535 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000093147079 193208514 /nfs/dbraw/zinc/20/85/14/193208514.db2.gz FYPZEHVQZYCKNV-INIZCTEOSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000093147079 193208516 /nfs/dbraw/zinc/20/85/16/193208516.db2.gz FYPZEHVQZYCKNV-INIZCTEOSA-N 2 1 307.507 2.658 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1)C(C)C ZINC000262594590 203344977 /nfs/dbraw/zinc/34/49/77/203344977.db2.gz TYPHKKONFRUKRY-INIZCTEOSA-N 2 1 317.477 2.646 20 0 DFADMP C[C@H](CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000262672916 203374900 /nfs/dbraw/zinc/37/49/00/203374900.db2.gz PHZASWRAAFILFU-KONPQCLYSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc2ccccc2o1 ZINC000155120675 296146772 /nfs/dbraw/zinc/14/67/72/296146772.db2.gz WOOJREXWUWKEOS-LSDHHAIUSA-N 2 1 301.434 2.719 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000093692964 193290925 /nfs/dbraw/zinc/29/09/25/193290925.db2.gz JXRXECAPKRBDNT-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc(OCCOC)c2)C1 ZINC000093692964 193290926 /nfs/dbraw/zinc/29/09/26/193290926.db2.gz JXRXECAPKRBDNT-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCCOC)C1 ZINC000093742364 193299803 /nfs/dbraw/zinc/29/98/03/193299803.db2.gz KTRQSCBYLHCBSM-QGZVFWFLSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCCOC)C1 ZINC000093742364 193299804 /nfs/dbraw/zinc/29/98/04/193299804.db2.gz KTRQSCBYLHCBSM-QGZVFWFLSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000093742364 193299806 /nfs/dbraw/zinc/29/98/06/193299806.db2.gz KTRQSCBYLHCBSM-QGZVFWFLSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCCOC)C1 ZINC000093742364 193299808 /nfs/dbraw/zinc/29/98/08/193299808.db2.gz KTRQSCBYLHCBSM-QGZVFWFLSA-N 2 1 320.477 2.876 20 0 DFADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1Br ZINC000093873199 193321148 /nfs/dbraw/zinc/32/11/48/193321148.db2.gz SCFVIRSMLOWINR-UHFFFAOYSA-N 2 1 315.255 2.874 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000419747339 296147712 /nfs/dbraw/zinc/14/77/12/296147712.db2.gz NDGZOQVOLHSNBM-CYBMUJFWSA-N 2 1 304.413 2.607 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900447 399128335 /nfs/dbraw/zinc/12/83/35/399128335.db2.gz GJWFVZLKQXMSKT-HOCLYGCPSA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900447 399128339 /nfs/dbraw/zinc/12/83/39/399128339.db2.gz GJWFVZLKQXMSKT-HOCLYGCPSA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000595901645 399129130 /nfs/dbraw/zinc/12/91/30/399129130.db2.gz ZMKBMAMPHGTHMK-AWEZNQCLSA-N 2 1 322.474 2.746 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000340530690 284189364 /nfs/dbraw/zinc/18/93/64/284189364.db2.gz GDQIDPGKYVXMJO-JLSDUUJJSA-N 2 1 321.534 2.941 20 0 DFADMP CSC[C@](C)(O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274964648 212046330 /nfs/dbraw/zinc/04/63/30/212046330.db2.gz XFKATDJSDFTTNO-BPQIPLTHSA-N 2 1 322.518 2.601 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[NH2+]1 ZINC000420207694 296162372 /nfs/dbraw/zinc/16/23/72/296162372.db2.gz QOMXWBSBUCPHII-SNVBAGLBSA-N 2 1 306.207 2.795 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CC[NH2+]1 ZINC000420217973 296163139 /nfs/dbraw/zinc/16/31/39/296163139.db2.gz XXOKYGNXMHQJGI-SNVBAGLBSA-N 2 1 306.207 2.795 20 0 DFADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000341184590 284246286 /nfs/dbraw/zinc/24/62/86/284246286.db2.gz KULSXSGJANLALC-UHFFFAOYSA-N 2 1 309.841 2.552 20 0 DFADMP Brc1c[nH+]ccc1N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420274762 296168197 /nfs/dbraw/zinc/16/81/97/296168197.db2.gz NKSNTVRKCCUSKU-NWDGAFQWSA-N 2 1 310.239 2.670 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000420285908 296169322 /nfs/dbraw/zinc/16/93/22/296169322.db2.gz VWPDXYUNXHVBAU-BXKDBHETSA-N 2 1 306.207 2.781 20 0 DFADMP CC(C)C[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420293716 296170300 /nfs/dbraw/zinc/17/03/00/296170300.db2.gz ADUCEKKWSLDYDJ-QYZOEREBSA-N 2 1 304.478 2.675 20 0 DFADMP CC(C)(C)OC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000596062549 399160138 /nfs/dbraw/zinc/16/01/38/399160138.db2.gz HVJBBKMWSGIMDP-IXDOHACOSA-N 2 1 322.493 2.961 20 0 DFADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420297148 296170929 /nfs/dbraw/zinc/17/09/29/296170929.db2.gz FOSMVSBBYXMNCG-MOPGFXCFSA-N 2 1 301.478 2.550 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)ccc2o1 ZINC000420297025 296171091 /nfs/dbraw/zinc/17/10/91/296171091.db2.gz YCPMFRGNESQNRX-OCCSQVGLSA-N 2 1 316.401 2.779 20 0 DFADMP CC(C)(C)OC(=O)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000596062547 399159938 /nfs/dbraw/zinc/15/99/38/399159938.db2.gz HVJBBKMWSGIMDP-GVDBMIGSSA-N 2 1 322.493 2.961 20 0 DFADMP Cc1ncsc1C[N@H+](CC[C@H]1CCCCO1)C[C@H]1CC[NH2+]C1 ZINC000420302733 296171644 /nfs/dbraw/zinc/17/16/44/296171644.db2.gz BWBDRKGFLDABMK-JKSUJKDBSA-N 2 1 323.506 2.822 20 0 DFADMP Cc1ncsc1C[N@@H+](CC[C@H]1CCCCO1)C[C@H]1CC[NH2+]C1 ZINC000420302733 296171645 /nfs/dbraw/zinc/17/16/45/296171645.db2.gz BWBDRKGFLDABMK-JKSUJKDBSA-N 2 1 323.506 2.822 20 0 DFADMP Cc1cccc([C@@H]2CCCC[N@H+]2CCN2CC[NH2+]CC2)c1C ZINC000420300824 296171690 /nfs/dbraw/zinc/17/16/90/296171690.db2.gz KRZRGGHOMMHMIN-IBGZPJMESA-N 2 1 301.478 2.736 20 0 DFADMP c1cc2c(c([C@@H]3CCC[N@@H+]3CC[C@@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000420298211 296171282 /nfs/dbraw/zinc/17/12/82/296171282.db2.gz HAWZTTPVYWVLMS-RDJZCZTQSA-N 2 1 316.445 2.984 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420299021 296171377 /nfs/dbraw/zinc/17/13/77/296171377.db2.gz GBWKCWUKLNRBPB-CVEARBPZSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000420298342 296171428 /nfs/dbraw/zinc/17/14/28/296171428.db2.gz DZNLZPDLJSDUAI-QGZVFWFLSA-N 2 1 314.429 2.878 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@H]12 ZINC000420299330 296171448 /nfs/dbraw/zinc/17/14/48/296171448.db2.gz ASNWZFVFUGTVEV-YZGWKJHDSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@H]12 ZINC000420299330 296171449 /nfs/dbraw/zinc/17/14/49/296171449.db2.gz ASNWZFVFUGTVEV-YZGWKJHDSA-N 2 1 323.440 2.830 20 0 DFADMP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420303473 296172183 /nfs/dbraw/zinc/17/21/83/296172183.db2.gz KKDWCRAILGOYPE-IAGOWNOFSA-N 2 1 315.461 2.727 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420301596 296171858 /nfs/dbraw/zinc/17/18/58/296171858.db2.gz LPGCCBLHUAVMGC-CABCVRRESA-N 2 1 324.469 2.625 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)n1 ZINC000420301596 296171859 /nfs/dbraw/zinc/17/18/59/296171859.db2.gz LPGCCBLHUAVMGC-CABCVRRESA-N 2 1 324.469 2.625 20 0 DFADMP COc1cc(CCC2CC[NH+](C[C@H](C)[NH3+])CC2)cc(OC)c1 ZINC000420303529 296172037 /nfs/dbraw/zinc/17/20/37/296172037.db2.gz KNWVIUVFHXFLAE-AWEZNQCLSA-N 2 1 306.450 2.696 20 0 DFADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc(C(F)(F)F)cs1 ZINC000420310408 296172879 /nfs/dbraw/zinc/17/28/79/296172879.db2.gz UWYRAAWFHGKMBJ-JTQLQIEISA-N 2 1 307.385 2.983 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc(C(F)(F)F)cs1 ZINC000420310408 296172881 /nfs/dbraw/zinc/17/28/81/296172881.db2.gz UWYRAAWFHGKMBJ-JTQLQIEISA-N 2 1 307.385 2.983 20 0 DFADMP Cc1ccc([C@@H]2[C@H](C)CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420306630 296172520 /nfs/dbraw/zinc/17/25/20/296172520.db2.gz QPKKMHCYSQXGLY-MJGOQNOKSA-N 2 1 301.478 2.673 20 0 DFADMP Brc1cccc2c1C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420306565 296172540 /nfs/dbraw/zinc/17/25/40/296172540.db2.gz QKZMYPQEAUNZHG-LBPRGKRZSA-N 2 1 309.251 2.807 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307894 296173055 /nfs/dbraw/zinc/17/30/55/296173055.db2.gz JCUHMGYBUGKNKU-AABGKKOBSA-N 3 1 315.505 2.658 20 0 DFADMP Fc1ccc(CN2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420311478 296173294 /nfs/dbraw/zinc/17/32/94/296173294.db2.gz VZQJIGAHZOUOCS-KRWDZBQOSA-N 2 1 319.468 2.723 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000420319800 296174445 /nfs/dbraw/zinc/17/44/45/296174445.db2.gz PMXNHXQHONXVKE-IRXDYDNUSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000420319800 296174447 /nfs/dbraw/zinc/17/44/47/296174447.db2.gz PMXNHXQHONXVKE-IRXDYDNUSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000420319800 296174448 /nfs/dbraw/zinc/17/44/48/296174448.db2.gz PMXNHXQHONXVKE-IRXDYDNUSA-N 3 1 302.466 2.514 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420318836 296174611 /nfs/dbraw/zinc/17/46/11/296174611.db2.gz ORXXQSHYOMNUPG-GGPKGHCWSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420318836 296174612 /nfs/dbraw/zinc/17/46/12/296174612.db2.gz ORXXQSHYOMNUPG-GGPKGHCWSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420318836 296174613 /nfs/dbraw/zinc/17/46/13/296174613.db2.gz ORXXQSHYOMNUPG-GGPKGHCWSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CC[C@H]2CC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420318836 296174614 /nfs/dbraw/zinc/17/46/14/296174614.db2.gz ORXXQSHYOMNUPG-GGPKGHCWSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CC[C@H]2CC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420318836 296174615 /nfs/dbraw/zinc/17/46/15/296174615.db2.gz ORXXQSHYOMNUPG-GGPKGHCWSA-N 3 1 315.505 2.971 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271745132 209175940 /nfs/dbraw/zinc/17/59/40/209175940.db2.gz JJOOELOYXWCQLP-CYBMUJFWSA-N 2 1 312.417 2.891 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)ccc2o1 ZINC000420321137 296174978 /nfs/dbraw/zinc/17/49/78/296174978.db2.gz ZPOITBBSUABQAC-CYBMUJFWSA-N 2 1 316.401 2.780 20 0 DFADMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321042 296175011 /nfs/dbraw/zinc/17/50/11/296175011.db2.gz CFGIPHUEALFUDH-OLZOCXBDSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321042 296175014 /nfs/dbraw/zinc/17/50/14/296175014.db2.gz CFGIPHUEALFUDH-OLZOCXBDSA-N 2 1 310.388 2.713 20 0 DFADMP C(C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000420325382 296175324 /nfs/dbraw/zinc/17/53/24/296175324.db2.gz WAFJNYAIXYAYCA-CVEARBPZSA-N 2 1 317.481 2.531 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325547 296175541 /nfs/dbraw/zinc/17/55/41/296175541.db2.gz IUMXWAMXGCLNCQ-QAPCUYQASA-N 2 1 318.436 2.890 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325470 296175556 /nfs/dbraw/zinc/17/55/56/296175556.db2.gz WQAGGSSLNFOEDK-CEXWTWQISA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325470 296175559 /nfs/dbraw/zinc/17/55/59/296175559.db2.gz WQAGGSSLNFOEDK-CEXWTWQISA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325470 296175560 /nfs/dbraw/zinc/17/55/60/296175560.db2.gz WQAGGSSLNFOEDK-CEXWTWQISA-N 3 1 307.526 2.963 20 0 DFADMP Cc1ccccc1CCC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420335982 296177121 /nfs/dbraw/zinc/17/71/21/296177121.db2.gz VHZAFEIYOWYVKY-GOSISDBHSA-N 2 1 302.462 2.615 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420343906 296177725 /nfs/dbraw/zinc/17/77/25/296177725.db2.gz RRIGSBAQUKIVKB-IAGOWNOFSA-N 2 1 315.461 2.509 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420345001 296178233 /nfs/dbraw/zinc/17/82/33/296178233.db2.gz VNDLXYICJIOXAO-IRXDYDNUSA-N 2 1 318.461 2.786 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000420354826 296179066 /nfs/dbraw/zinc/17/90/66/296179066.db2.gz DNCUUCOIIJOGBP-MRXNPFEDSA-N 2 1 318.461 2.687 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000420354744 296179294 /nfs/dbraw/zinc/17/92/94/296179294.db2.gz DFDRADMGTYDFBB-UKRRQHHQSA-N 2 1 319.474 2.930 20 0 DFADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096638 399171605 /nfs/dbraw/zinc/17/16/05/399171605.db2.gz WCCFJGSUEMBKOG-GOEBONIOSA-N 2 1 310.482 2.818 20 0 DFADMP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420361871 296180089 /nfs/dbraw/zinc/18/00/89/296180089.db2.gz NREDVNGFPBMPLH-NWDGAFQWSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000420361871 296180091 /nfs/dbraw/zinc/18/00/91/296180091.db2.gz NREDVNGFPBMPLH-NWDGAFQWSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000420361871 296180092 /nfs/dbraw/zinc/18/00/92/296180092.db2.gz NREDVNGFPBMPLH-NWDGAFQWSA-N 2 1 316.371 2.608 20 0 DFADMP c1ccc(CC[C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364345 296180301 /nfs/dbraw/zinc/18/03/01/296180301.db2.gz QOIBFQRMLLSCBE-RTBURBONSA-N 2 1 302.462 2.710 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000420363506 296180394 /nfs/dbraw/zinc/18/03/94/296180394.db2.gz NXUOGJFGZJMWDT-SJORKVTESA-N 2 1 317.477 2.533 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363965 296180483 /nfs/dbraw/zinc/18/04/83/296180483.db2.gz QERZFBVMOPXTBX-IEBWSBKVSA-N 2 1 311.429 2.970 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000607523115 399172443 /nfs/dbraw/zinc/17/24/43/399172443.db2.gz SMWFTZMYWWZHKQ-GJZGRUSLSA-N 2 1 321.465 2.676 20 0 DFADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc(C(F)F)c3)C2)nn1 ZINC000420373754 296182373 /nfs/dbraw/zinc/18/23/73/296182373.db2.gz GOTLNRGQXHQCCC-HNNXBMFYSA-N 2 1 321.375 2.512 20 0 DFADMP CC[C@@H](c1ccccc1)[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)OC ZINC000420373635 296182477 /nfs/dbraw/zinc/18/24/77/296182477.db2.gz MRNPNOVKLUAINW-RDJZCZTQSA-N 2 1 304.434 2.612 20 0 DFADMP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420374494 296182186 /nfs/dbraw/zinc/18/21/86/296182186.db2.gz NTSQYBYYYFFJBF-QWHCGFSZSA-N 2 1 316.371 2.538 20 0 DFADMP Fc1ccc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420382136 296183368 /nfs/dbraw/zinc/18/33/68/296183368.db2.gz YKBVQIPNIPGFAZ-BLLLJJGKSA-N 2 1 312.816 2.852 20 0 DFADMP Fc1ccc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420382136 296183369 /nfs/dbraw/zinc/18/33/69/296183369.db2.gz YKBVQIPNIPGFAZ-BLLLJJGKSA-N 2 1 312.816 2.852 20 0 DFADMP C[NH2+]CCCN1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420382796 296184171 /nfs/dbraw/zinc/18/41/71/296184171.db2.gz YRHMGLPEKDQJKR-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)NCCCC3CCCCC3)C[C@@H]21 ZINC000342088555 284323712 /nfs/dbraw/zinc/32/37/12/284323712.db2.gz RFISHTQDZNOXTJ-FGTMMUONSA-N 2 1 321.509 2.522 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000420399412 296186254 /nfs/dbraw/zinc/18/62/54/296186254.db2.gz HRIHHAXWMBVNKL-BPUTZDHNSA-N 2 1 303.450 2.547 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000420399412 296186255 /nfs/dbraw/zinc/18/62/55/296186255.db2.gz HRIHHAXWMBVNKL-BPUTZDHNSA-N 2 1 303.450 2.547 20 0 DFADMP Cc1ccc([C@@H](O)C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000266155331 205142323 /nfs/dbraw/zinc/14/23/23/205142323.db2.gz LTJNEBSAODDVPO-SFHVURJKSA-N 2 1 314.429 2.876 20 0 DFADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282788102 217250984 /nfs/dbraw/zinc/25/09/84/217250984.db2.gz YIOPOVQBXNNQSB-HNNXBMFYSA-N 2 1 323.912 2.887 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000607754795 399192796 /nfs/dbraw/zinc/19/27/96/399192796.db2.gz YINKOVKCTPQCHN-ZIFCJYIRSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000607754795 399192806 /nfs/dbraw/zinc/19/28/06/399192806.db2.gz YINKOVKCTPQCHN-ZIFCJYIRSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000607754795 399192812 /nfs/dbraw/zinc/19/28/12/399192812.db2.gz YINKOVKCTPQCHN-ZIFCJYIRSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000607754795 399192818 /nfs/dbraw/zinc/19/28/18/399192818.db2.gz YINKOVKCTPQCHN-ZIFCJYIRSA-N 2 1 304.478 2.990 20 0 DFADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000614342011 399214360 /nfs/dbraw/zinc/21/43/60/399214360.db2.gz MAJRJCKNAUTOPY-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP C[NH+](C)CCOc1ccc(CCNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000342707031 284393019 /nfs/dbraw/zinc/39/30/19/284393019.db2.gz CVAFKGDJSCFXCE-UHFFFAOYSA-N 2 1 324.428 2.580 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000188920770 296201804 /nfs/dbraw/zinc/20/18/04/296201804.db2.gz XTOPDHHJAMXUAF-UNNPPQAFSA-N 2 1 318.505 2.935 20 0 DFADMP CCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)O ZINC000420901853 296209963 /nfs/dbraw/zinc/20/99/63/296209963.db2.gz LETPMMCYKZYVMF-UHFFFAOYSA-N 2 1 320.477 2.502 20 0 DFADMP CCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)(C)O ZINC000420901853 296209964 /nfs/dbraw/zinc/20/99/64/296209964.db2.gz LETPMMCYKZYVMF-UHFFFAOYSA-N 2 1 320.477 2.502 20 0 DFADMP O=C(C[N@@H+](C1CC1)C1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000064508446 399227308 /nfs/dbraw/zinc/22/73/08/399227308.db2.gz XIEYASCXAWURJV-UHFFFAOYSA-N 2 1 319.493 2.527 20 0 DFADMP C[N@H+](CC[C@H]1CCCO1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922460 296212704 /nfs/dbraw/zinc/21/27/04/296212704.db2.gz OGPLKEFFZOJCRV-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP C[N@@H+](CC[C@H]1CCCO1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922460 296212705 /nfs/dbraw/zinc/21/27/05/296212705.db2.gz OGPLKEFFZOJCRV-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP C[C@@H]1CSCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420926107 296212973 /nfs/dbraw/zinc/21/29/73/296212973.db2.gz XJTNUMBNSOWBJD-INIZCTEOSA-N 2 1 320.502 2.704 20 0 DFADMP C[C@@H]1CSCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420926107 296212974 /nfs/dbraw/zinc/21/29/74/296212974.db2.gz XJTNUMBNSOWBJD-INIZCTEOSA-N 2 1 320.502 2.704 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000267457578 206082330 /nfs/dbraw/zinc/08/23/30/206082330.db2.gz PXDHCFLHKFZSDJ-ZLIFDBKOSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000267457578 206082333 /nfs/dbraw/zinc/08/23/33/206082333.db2.gz PXDHCFLHKFZSDJ-ZLIFDBKOSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000267457578 206082335 /nfs/dbraw/zinc/08/23/35/206082335.db2.gz PXDHCFLHKFZSDJ-ZLIFDBKOSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000267457578 206082339 /nfs/dbraw/zinc/08/23/39/206082339.db2.gz PXDHCFLHKFZSDJ-ZLIFDBKOSA-N 2 1 312.404 2.660 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCC(C)(C)O)CC1 ZINC000267482203 206097950 /nfs/dbraw/zinc/09/79/50/206097950.db2.gz XWWBINFNWIKYAU-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccsc1 ZINC000421008901 296224002 /nfs/dbraw/zinc/22/40/02/296224002.db2.gz MNGGXDCDROAXBI-OAHLLOKOSA-N 2 1 323.506 2.684 20 0 DFADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@H](C)c1ccsc1 ZINC000421008901 296224003 /nfs/dbraw/zinc/22/40/03/296224003.db2.gz MNGGXDCDROAXBI-OAHLLOKOSA-N 2 1 323.506 2.684 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000622662540 399266442 /nfs/dbraw/zinc/26/64/42/399266442.db2.gz MESAFDYZTFUPCQ-UHFFFAOYSA-N 2 1 311.514 2.686 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]2CCC[C@@H]21 ZINC000608498470 399271225 /nfs/dbraw/zinc/27/12/25/399271225.db2.gz NVFSVLGUYLMGDN-QYZOEREBSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]2CCC[C@@H]21 ZINC000608498470 399271229 /nfs/dbraw/zinc/27/12/29/399271229.db2.gz NVFSVLGUYLMGDN-QYZOEREBSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000608498470 399271232 /nfs/dbraw/zinc/27/12/32/399271232.db2.gz NVFSVLGUYLMGDN-QYZOEREBSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000608498470 399271236 /nfs/dbraw/zinc/27/12/36/399271236.db2.gz NVFSVLGUYLMGDN-QYZOEREBSA-N 2 1 302.462 2.744 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOCc2ccc(OC)cc2)C1 ZINC000608507950 399272727 /nfs/dbraw/zinc/27/27/27/399272727.db2.gz HRHWADCQQHQZJS-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOCc2ccc(OC)cc2)C1 ZINC000608507950 399272730 /nfs/dbraw/zinc/27/27/30/399272730.db2.gz HRHWADCQQHQZJS-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP Cn1cncc1CC[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000623086447 399323994 /nfs/dbraw/zinc/32/39/94/399323994.db2.gz RSSNACLPSZUTGW-UHFFFAOYSA-N 2 1 314.477 2.710 20 0 DFADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609635921 399327929 /nfs/dbraw/zinc/32/79/29/399327929.db2.gz XLNMMHPSZVAIPE-JKSUJKDBSA-N 2 1 319.449 2.856 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)[C@H](C)C1 ZINC000421879454 296278559 /nfs/dbraw/zinc/27/85/59/296278559.db2.gz NEWDAWXDVLQENE-BEFAXECRSA-N 2 1 319.493 2.925 20 0 DFADMP COC1(C[C@@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCC1 ZINC000368465583 284732129 /nfs/dbraw/zinc/73/21/29/284732129.db2.gz MALZRYQPTOCXLE-QGZVFWFLSA-N 2 1 324.509 2.959 20 0 DFADMP C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)C[C@@H]1Cc1ccccc1 ZINC000284681267 218131763 /nfs/dbraw/zinc/13/17/63/218131763.db2.gz GXXGDZLXLUWOQN-UXHICEINSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[N@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284681267 218131765 /nfs/dbraw/zinc/13/17/65/218131765.db2.gz GXXGDZLXLUWOQN-UXHICEINSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[N@@H+](C)[C@@H](Cc2ccccc2)C1 ZINC000284681267 218131768 /nfs/dbraw/zinc/13/17/68/218131768.db2.gz GXXGDZLXLUWOQN-UXHICEINSA-N 2 1 315.505 2.720 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000105897318 194162750 /nfs/dbraw/zinc/16/27/50/194162750.db2.gz SMCXKMIFVAWQPR-LSDHHAIUSA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000105897318 194162753 /nfs/dbraw/zinc/16/27/53/194162753.db2.gz SMCXKMIFVAWQPR-LSDHHAIUSA-N 2 1 320.481 2.776 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623364085 399373270 /nfs/dbraw/zinc/37/32/70/399373270.db2.gz SDRJRCSHMDLCMS-MRXNPFEDSA-N 2 1 304.482 2.890 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623364085 399373273 /nfs/dbraw/zinc/37/32/73/399373273.db2.gz SDRJRCSHMDLCMS-MRXNPFEDSA-N 2 1 304.482 2.890 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000106126864 194186968 /nfs/dbraw/zinc/18/69/68/194186968.db2.gz NMXSUTWUQSGDJP-AWEZNQCLSA-N 2 1 310.869 2.865 20 0 DFADMP COc1cccc(O[C@@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432148 399388280 /nfs/dbraw/zinc/38/82/80/399388280.db2.gz GIRLRNJVUNTHNT-LSDHHAIUSA-N 2 1 306.450 2.925 20 0 DFADMP COc1ccc(O[C@@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623432835 399388870 /nfs/dbraw/zinc/38/88/70/399388870.db2.gz LTFDXXHOHJRENE-LSDHHAIUSA-N 2 1 306.450 2.925 20 0 DFADMP C[N@@H+](CCC(=O)OCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285365505 218399059 /nfs/dbraw/zinc/39/90/59/218399059.db2.gz BVAAZEJHPCVSQH-JWTNVVGKSA-N 2 1 316.445 2.677 20 0 DFADMP C[NH+](CCC(=O)OCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285365505 218399060 /nfs/dbraw/zinc/39/90/60/218399060.db2.gz BVAAZEJHPCVSQH-JWTNVVGKSA-N 2 1 316.445 2.677 20 0 DFADMP C[NH+](CCC(=O)OCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285365505 218399061 /nfs/dbraw/zinc/39/90/61/218399061.db2.gz BVAAZEJHPCVSQH-JWTNVVGKSA-N 2 1 316.445 2.677 20 0 DFADMP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)nc12 ZINC000623438320 399389329 /nfs/dbraw/zinc/38/93/29/399389329.db2.gz VOQIOFQJRPPUSQ-OAHLLOKOSA-N 2 1 300.450 2.648 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2ccc(OC)cc21 ZINC000268837109 207002829 /nfs/dbraw/zinc/00/28/29/207002829.db2.gz SJJBWELDOSJWLU-GOSISDBHSA-N 2 1 306.450 2.631 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)ccc1OC ZINC000422559458 296312413 /nfs/dbraw/zinc/31/24/13/296312413.db2.gz DBWFFTIUZRXCDG-DZKIICNBSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1C[NH3+] ZINC000422562483 296312906 /nfs/dbraw/zinc/31/29/06/296312906.db2.gz QLAICCJLMLRNBH-MGPQQGTHSA-N 2 1 304.463 2.739 20 0 DFADMP c1cc(OC[C@H]2CCCO2)ccc1C[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422561414 296312745 /nfs/dbraw/zinc/31/27/45/296312745.db2.gz LDAWWHHBYSNJMI-GOSISDBHSA-N 2 1 316.445 2.572 20 0 DFADMP CCC[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](CC)CC)cc2)C1 ZINC000619895432 399401173 /nfs/dbraw/zinc/40/11/73/399401173.db2.gz LAQGXYWBFGPXEB-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)s1 ZINC000422633386 296317258 /nfs/dbraw/zinc/31/72/58/296317258.db2.gz IAVSDRGJBOSODK-SUNKGSAMSA-N 2 1 310.463 2.648 20 0 DFADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(C)s1 ZINC000422633386 296317259 /nfs/dbraw/zinc/31/72/59/296317259.db2.gz IAVSDRGJBOSODK-SUNKGSAMSA-N 2 1 310.463 2.648 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000623502774 399403435 /nfs/dbraw/zinc/40/34/35/399403435.db2.gz ZZOACDWHTDFWTI-YDHLFZDLSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422699053 296318214 /nfs/dbraw/zinc/31/82/14/296318214.db2.gz CHOCCBAGXKSAIT-YJBOKZPZSA-N 2 1 301.478 2.553 20 0 DFADMP COc1ccc(Oc2cc(C[NH2+][C@@H](C)C3C[NH2+]C3)ccn2)cc1 ZINC000422698395 296318248 /nfs/dbraw/zinc/31/82/48/296318248.db2.gz ZDLBFRPFPCENTF-ZDUSSCGKSA-N 2 1 313.401 2.580 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCOC3)CC2)cc1 ZINC000268932687 207097595 /nfs/dbraw/zinc/09/75/95/207097595.db2.gz ZWYROYVVUWQIMQ-GOSISDBHSA-N 2 1 306.425 2.601 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@@H](c3cccnc3)C2)CC1(C)C ZINC000623540394 399411590 /nfs/dbraw/zinc/41/15/90/399411590.db2.gz XREMSELVWJTDFR-YESZJQIVSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)N1CCc2ccccc2C1 ZINC000422721862 296321871 /nfs/dbraw/zinc/32/18/71/296321871.db2.gz WFBMQIPPPOAGIJ-HUUCEWRRSA-N 2 1 310.445 2.592 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000268966874 207130499 /nfs/dbraw/zinc/13/04/99/207130499.db2.gz YPNUNSOHHXCEJZ-WMZOPIPTSA-N 2 1 318.461 2.727 20 0 DFADMP C[C@@H](N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725375 296322145 /nfs/dbraw/zinc/32/21/45/296322145.db2.gz BFEBMHKJFMPCRT-DNVCBOLYSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@@H]([NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725375 296322146 /nfs/dbraw/zinc/32/21/46/296322146.db2.gz BFEBMHKJFMPCRT-DNVCBOLYSA-N 2 1 315.505 2.657 20 0 DFADMP CCc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000422726766 296322420 /nfs/dbraw/zinc/32/24/20/296322420.db2.gz AMDHERKWIAHITF-SWDXFRIISA-N 2 1 301.478 2.724 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727817 296322444 /nfs/dbraw/zinc/32/24/44/296322444.db2.gz HZBSUTNMYXAPQI-FCGDIQPGSA-N 2 1 319.468 2.939 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000623656057 399436992 /nfs/dbraw/zinc/43/69/92/399436992.db2.gz MABHPTUPLOMNQI-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000623656057 399436995 /nfs/dbraw/zinc/43/69/95/399436995.db2.gz MABHPTUPLOMNQI-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000623656057 399436998 /nfs/dbraw/zinc/43/69/98/399436998.db2.gz MABHPTUPLOMNQI-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000623656057 399437001 /nfs/dbraw/zinc/43/70/01/399437001.db2.gz MABHPTUPLOMNQI-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000623656260 399436297 /nfs/dbraw/zinc/43/62/97/399436297.db2.gz QKDGTCIIBLQRGO-MRXNPFEDSA-N 2 1 310.445 2.965 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000623656260 399436299 /nfs/dbraw/zinc/43/62/99/399436299.db2.gz QKDGTCIIBLQRGO-MRXNPFEDSA-N 2 1 310.445 2.965 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000623656271 399436346 /nfs/dbraw/zinc/43/63/46/399436346.db2.gz QVQFSDAYVRWGAE-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000623656271 399436348 /nfs/dbraw/zinc/43/63/48/399436348.db2.gz QVQFSDAYVRWGAE-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000623656057 399437006 /nfs/dbraw/zinc/43/70/06/399437006.db2.gz MABHPTUPLOMNQI-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269051881 207199626 /nfs/dbraw/zinc/19/96/26/207199626.db2.gz VZRBLLOUSRINTB-HZPDHXFCSA-N 2 1 300.450 2.922 20 0 DFADMP COCCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656321 399437394 /nfs/dbraw/zinc/43/73/94/399437394.db2.gz RZDHWLJQLZUQII-KRWDZBQOSA-N 2 1 306.450 2.533 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cnn(Cc2ccccc2)c1 ZINC000269051883 207201351 /nfs/dbraw/zinc/20/13/51/207201351.db2.gz VZRBLLOUSRINTB-JKSUJKDBSA-N 2 1 300.450 2.922 20 0 DFADMP CCOC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)[nH]1 ZINC000602451087 399447506 /nfs/dbraw/zinc/44/75/06/399447506.db2.gz ZUJQRLQMVLGAJF-UHFFFAOYSA-N 2 1 321.465 2.744 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(F)c1 ZINC000602481593 399458429 /nfs/dbraw/zinc/45/84/29/399458429.db2.gz HBMNZADRCWJYOW-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000269130813 207263839 /nfs/dbraw/zinc/26/38/39/207263839.db2.gz KBYVSDSPIHKUSE-OAHLLOKOSA-N 2 1 324.432 2.855 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000269130813 207263842 /nfs/dbraw/zinc/26/38/42/207263842.db2.gz KBYVSDSPIHKUSE-OAHLLOKOSA-N 2 1 324.432 2.855 20 0 DFADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000063165878 184275115 /nfs/dbraw/zinc/27/51/15/184275115.db2.gz GPMRNPDYDWBXPB-UHFFFAOYSA-N 2 1 309.841 2.518 20 0 DFADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000063165909 184275123 /nfs/dbraw/zinc/27/51/23/184275123.db2.gz SGFSGJHIZMRLBE-UHFFFAOYSA-N 2 1 309.841 2.518 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1 ZINC000269200964 207320801 /nfs/dbraw/zinc/32/08/01/207320801.db2.gz KHDVLBGPFOCAEZ-YJBOKZPZSA-N 2 1 317.477 2.728 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1c[nH+]ccc1N ZINC000422736694 296323750 /nfs/dbraw/zinc/32/37/50/296323750.db2.gz WGOGAABVBBWZHV-YVEFUNNKSA-N 2 1 302.397 2.587 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422738252 296324083 /nfs/dbraw/zinc/32/40/83/296324083.db2.gz JHQXRVVPMJVKCY-OTWHNJEPSA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422738252 296324085 /nfs/dbraw/zinc/32/40/85/296324085.db2.gz JHQXRVVPMJVKCY-OTWHNJEPSA-N 2 1 301.478 2.901 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422744901 296325191 /nfs/dbraw/zinc/32/51/91/296325191.db2.gz UIQCLGVMDFLKMK-UFYCRDLUSA-N 2 1 310.441 2.673 20 0 DFADMP C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422748213 296325801 /nfs/dbraw/zinc/32/58/01/296325801.db2.gz SMYCUJVTCAWIBB-BQFCYCMXSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@H]1CC[NH2+]C1 ZINC000422748213 296325802 /nfs/dbraw/zinc/32/58/02/296325802.db2.gz SMYCUJVTCAWIBB-BQFCYCMXSA-N 3 1 301.478 2.800 20 0 DFADMP CC[C@@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000422750558 296326277 /nfs/dbraw/zinc/32/62/77/296326277.db2.gz DGGRFVXYVVKJFO-IUODEOHRSA-N 2 1 311.267 2.969 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422752846 296327038 /nfs/dbraw/zinc/32/70/38/296327038.db2.gz HOQUYZGXWJLHBZ-QRQLOZEOSA-N 2 1 317.477 2.562 20 0 DFADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000422758969 296328183 /nfs/dbraw/zinc/32/81/83/296328183.db2.gz OMTWNZBAGYOPHO-MOPGFXCFSA-N 2 1 312.461 2.973 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cc1C ZINC000602575918 399480455 /nfs/dbraw/zinc/48/04/55/399480455.db2.gz YRBLSMWJXSQWNO-HNNXBMFYSA-N 2 1 321.465 2.567 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC000602575918 399480456 /nfs/dbraw/zinc/48/04/56/399480456.db2.gz YRBLSMWJXSQWNO-HNNXBMFYSA-N 2 1 321.465 2.567 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000422760392 296328472 /nfs/dbraw/zinc/32/84/72/296328472.db2.gz LACKDQYUBGXNAC-CQSZACIVSA-N 2 1 321.428 2.885 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCCO1 ZINC000623852757 399479622 /nfs/dbraw/zinc/47/96/22/399479622.db2.gz ADQCNHRSWLXNJQ-VQIMIIECSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000422765805 296329687 /nfs/dbraw/zinc/32/96/87/296329687.db2.gz RGBIFAOROLELIR-YOEHRIQHSA-N 2 1 306.498 2.866 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422765220 296329078 /nfs/dbraw/zinc/32/90/78/296329078.db2.gz QPVIBZJZOCWMKP-PVAVHDDUSA-N 2 1 305.441 2.833 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422763973 296329126 /nfs/dbraw/zinc/32/91/26/296329126.db2.gz PDGRJZLYWWGPAW-RHSMWYFYSA-N 2 1 322.880 2.976 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766033 296329570 /nfs/dbraw/zinc/32/95/70/296329570.db2.gz RIBYBHBAZXTDTL-JQHSSLGASA-N 2 1 305.441 2.915 20 0 DFADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422772783 296330804 /nfs/dbraw/zinc/33/08/04/296330804.db2.gz XSBMFBZFLCRZCA-OWCLPIDISA-N 2 1 324.852 2.595 20 0 DFADMP CCOC(=O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000602629747 399496664 /nfs/dbraw/zinc/49/66/64/399496664.db2.gz JFZOUASKDOWEMU-SZVBFZGTSA-N 2 1 318.461 2.580 20 0 DFADMP CCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422793100 296333672 /nfs/dbraw/zinc/33/36/72/296333672.db2.gz XVUNJBBKMWBACD-CQSZACIVSA-N 3 1 304.482 2.764 20 0 DFADMP CCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)CC1 ZINC000422793099 296333687 /nfs/dbraw/zinc/33/36/87/296333687.db2.gz XVUNJBBKMWBACD-AWEZNQCLSA-N 3 1 304.482 2.764 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3scnc32)C[C@H](C)O1 ZINC000623916581 399494575 /nfs/dbraw/zinc/49/45/75/399494575.db2.gz SXFDIIXJUSGLLR-ZNMIVQPWSA-N 2 1 323.506 3.000 20 0 DFADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422798943 296335170 /nfs/dbraw/zinc/33/51/70/296335170.db2.gz UIXDGXVCTWYQLP-WJFTUGDTSA-N 2 1 305.510 2.761 20 0 DFADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422803037 296335799 /nfs/dbraw/zinc/33/57/99/296335799.db2.gz CHUSYAMAMOCCSV-MSOLQXFVSA-N 2 1 317.477 2.918 20 0 DFADMP CC[C@H](CN[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422805820 296336083 /nfs/dbraw/zinc/33/60/83/296336083.db2.gz JQUSAWRZWHSDMF-RBUKOAKNSA-N 2 1 301.478 2.555 20 0 DFADMP CC[C@H](CN[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422805820 296336084 /nfs/dbraw/zinc/33/60/84/296336084.db2.gz JQUSAWRZWHSDMF-RBUKOAKNSA-N 2 1 301.478 2.555 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422813190 296337912 /nfs/dbraw/zinc/33/79/12/296337912.db2.gz XRUJQFHZDJZWEV-OALUTQOASA-N 2 1 301.478 2.684 20 0 DFADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422814086 296338004 /nfs/dbraw/zinc/33/80/04/296338004.db2.gz ZMHSYZQQDYVZDI-ARFHVFGLSA-N 2 1 324.465 2.794 20 0 DFADMP CC[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422812570 296337537 /nfs/dbraw/zinc/33/75/37/296337537.db2.gz WOQPNNCTRBVUJF-AHRSYUTCSA-N 2 1 315.505 2.801 20 0 DFADMP CC[C@H](CN[C@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422812570 296337538 /nfs/dbraw/zinc/33/75/38/296337538.db2.gz WOQPNNCTRBVUJF-AHRSYUTCSA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)(C)C1CCC(C[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000631845507 399506061 /nfs/dbraw/zinc/50/60/61/399506061.db2.gz DAYXJOHTFFBQRU-VMBOVVBDSA-N 2 1 319.497 2.836 20 0 DFADMP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000631843613 399506619 /nfs/dbraw/zinc/50/66/19/399506619.db2.gz QHWKWTVHHBBINO-RDJZCZTQSA-N 2 1 323.440 2.819 20 0 DFADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000631843613 399506622 /nfs/dbraw/zinc/50/66/22/399506622.db2.gz QHWKWTVHHBBINO-RDJZCZTQSA-N 2 1 323.440 2.819 20 0 DFADMP C[C@H]([NH2+]CCc1nccn1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422818362 296339133 /nfs/dbraw/zinc/33/91/33/296339133.db2.gz KCFDLQOACDSGNJ-HNNXBMFYSA-N 2 1 321.428 2.632 20 0 DFADMP CCC[N@@H+](CC)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823575 296339635 /nfs/dbraw/zinc/33/96/35/296339635.db2.gz LUAMPNVPYLCLBX-PKOBYXMFSA-N 2 1 317.477 2.564 20 0 DFADMP CCCN(CC)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823575 296339636 /nfs/dbraw/zinc/33/96/36/296339636.db2.gz LUAMPNVPYLCLBX-PKOBYXMFSA-N 2 1 317.477 2.564 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cncn2)c2ccccc21 ZINC000422824064 296339647 /nfs/dbraw/zinc/33/96/47/296339647.db2.gz GCIFYSVYOIYVEU-RTBURBONSA-N 2 1 319.412 2.561 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccccc2Cn2cncn2)c2ccccc21 ZINC000422824061 296339731 /nfs/dbraw/zinc/33/97/31/296339731.db2.gz GCIFYSVYOIYVEU-OALUTQOASA-N 2 1 319.412 2.561 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422820927 296339402 /nfs/dbraw/zinc/33/94/02/296339402.db2.gz SWSLLNQCQZDIPH-LPHOPBHVSA-N 2 1 324.472 2.730 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830738 296341120 /nfs/dbraw/zinc/34/11/20/296341120.db2.gz RQCUNFISHOJWNG-PBHICJAKSA-N 3 1 307.507 2.548 20 0 DFADMP C[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)[C@H]1CCC[NH2+]1 ZINC000422830407 296341195 /nfs/dbraw/zinc/34/11/95/296341195.db2.gz QZIWNGURXMGEAS-RHSMWYFYSA-N 2 1 307.507 2.690 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000347016090 285003964 /nfs/dbraw/zinc/00/39/64/285003964.db2.gz OGBYZIKTGDIGEJ-XHSDSOJGSA-N 2 1 309.498 2.627 20 0 DFADMP c1ccc([C@H]2C[C@@H]([NH2+]CCCNc3ccccn3)CC[NH2+]2)cc1 ZINC000422836954 296342076 /nfs/dbraw/zinc/34/20/76/296342076.db2.gz SHGQOBNKRZEQHY-ZWKOTPCHSA-N 2 1 310.445 2.967 20 0 DFADMP COCCOCCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422845582 296343707 /nfs/dbraw/zinc/34/37/07/296343707.db2.gz CJHWXVPDQLDMFS-ROUUACIJSA-N 2 1 306.450 2.513 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000422860813 296346554 /nfs/dbraw/zinc/34/65/54/296346554.db2.gz LUVXPWIJOLFNTQ-KKUMJFAQSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000422860813 296346555 /nfs/dbraw/zinc/34/65/55/296346555.db2.gz LUVXPWIJOLFNTQ-KKUMJFAQSA-N 2 1 304.482 2.620 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866513 296347168 /nfs/dbraw/zinc/34/71/68/296347168.db2.gz QLQUTAWKDNYOKM-HZPDHXFCSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866513 296347169 /nfs/dbraw/zinc/34/71/69/296347169.db2.gz QLQUTAWKDNYOKM-HZPDHXFCSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866513 296347171 /nfs/dbraw/zinc/34/71/71/296347171.db2.gz QLQUTAWKDNYOKM-HZPDHXFCSA-N 2 1 301.478 2.616 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CC(OC)C3)CC2)cs1 ZINC000347393758 285029089 /nfs/dbraw/zinc/02/90/89/285029089.db2.gz VWCBJUGRGHHMSH-UHFFFAOYSA-N 2 1 323.506 2.685 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000422873375 296348457 /nfs/dbraw/zinc/34/84/57/296348457.db2.gz LEEOQSKOFYSKBH-BVBHFADKSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000422873375 296348458 /nfs/dbraw/zinc/34/84/58/296348458.db2.gz LEEOQSKOFYSKBH-BVBHFADKSA-N 2 1 301.478 2.899 20 0 DFADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422875195 296348754 /nfs/dbraw/zinc/34/87/54/296348754.db2.gz CEFHALFCCQVDGY-WCQYABFASA-N 2 1 314.376 2.569 20 0 DFADMP CC[N@@H+](CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C(C)C ZINC000422883661 296350118 /nfs/dbraw/zinc/35/01/18/296350118.db2.gz VIUGHIIGNPOPPT-MOPGFXCFSA-N 2 1 319.493 2.808 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422891622 296351441 /nfs/dbraw/zinc/35/14/41/296351441.db2.gz KYCQIACCRMKRJH-BMGDILEWSA-N 2 1 317.477 2.965 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422890539 296351552 /nfs/dbraw/zinc/35/15/52/296351552.db2.gz IMVPBULGSANVTN-GOSISDBHSA-N 3 1 319.493 2.639 20 0 DFADMP COCCOc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422893651 296351804 /nfs/dbraw/zinc/35/18/04/296351804.db2.gz AMIIZVTUQHHVGC-MOPGFXCFSA-N 2 1 312.413 2.946 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CN[C@H](C)[C@H]2CCC[NH2+]2)cc1F ZINC000422899385 296352731 /nfs/dbraw/zinc/35/27/31/296352731.db2.gz HIWKNXDWOGNEER-MLGOLLRUSA-N 2 1 302.397 2.550 20 0 DFADMP CC[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000422896445 296352150 /nfs/dbraw/zinc/35/21/50/296352150.db2.gz IHHCMPWKGNDBHF-ROUUACIJSA-N 2 1 319.493 2.729 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@@H]1C[NH3+] ZINC000422897344 296352381 /nfs/dbraw/zinc/35/23/81/296352381.db2.gz ZQMYHNDQSOQMQX-SJLPKXTDSA-N 2 1 319.493 2.624 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000422903638 296353868 /nfs/dbraw/zinc/35/38/68/296353868.db2.gz OQICSBSHOUYMJP-IRXDYDNUSA-N 3 1 319.493 2.514 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000422903638 296353870 /nfs/dbraw/zinc/35/38/70/296353870.db2.gz OQICSBSHOUYMJP-IRXDYDNUSA-N 3 1 319.493 2.514 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422905659 296354339 /nfs/dbraw/zinc/35/43/39/296354339.db2.gz IOFHFJZVUDBQKA-LBTNJELSSA-N 2 1 323.431 2.659 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000422904433 296353676 /nfs/dbraw/zinc/35/36/76/296353676.db2.gz PYCPUPZVOZJRON-RDJZCZTQSA-N 3 1 316.424 2.927 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422930025 296356900 /nfs/dbraw/zinc/35/69/00/296356900.db2.gz ATLRQLJZJSLPEM-YOEHRIQHSA-N 2 1 310.445 2.578 20 0 DFADMP C[C@@H]1C[C@@H](Nc2nccc(N3Cc4ccccc4C3)n2)CC[N@H+]1C ZINC000623995051 399517210 /nfs/dbraw/zinc/51/72/10/399517210.db2.gz LXYQSAKYIJALKF-PBHICJAKSA-N 2 1 323.444 2.891 20 0 DFADMP CCN(CC)C(=O)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000120068087 195091323 /nfs/dbraw/zinc/09/13/23/195091323.db2.gz VRWLOFNKAANMIE-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP CCCCNC(=O)[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120116842 195099286 /nfs/dbraw/zinc/09/92/86/195099286.db2.gz MPRJXYYRHFQRBV-QGZVFWFLSA-N 2 1 320.481 2.600 20 0 DFADMP CCCCNC(=O)[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120116842 195099289 /nfs/dbraw/zinc/09/92/89/195099289.db2.gz MPRJXYYRHFQRBV-QGZVFWFLSA-N 2 1 320.481 2.600 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886438 399518757 /nfs/dbraw/zinc/51/87/57/399518757.db2.gz HEPAVDWCOUYYED-HZPDHXFCSA-N 2 1 304.434 2.538 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631886438 399518759 /nfs/dbraw/zinc/51/87/59/399518759.db2.gz HEPAVDWCOUYYED-HZPDHXFCSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1F ZINC000422934690 296357710 /nfs/dbraw/zinc/35/77/10/296357710.db2.gz GFWKUCWOEMNPPJ-DYVFJYSZSA-N 2 1 302.393 2.882 20 0 DFADMP CC(C)[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422947740 296359309 /nfs/dbraw/zinc/35/93/09/296359309.db2.gz YSJOBVSAFFPOLF-UXPWSPDFSA-N 2 1 315.505 2.799 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000269980704 208032313 /nfs/dbraw/zinc/03/23/13/208032313.db2.gz QXKYUXPZYHYDMR-AEFFLSMTSA-N 2 1 313.445 2.530 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000269980704 208032315 /nfs/dbraw/zinc/03/23/15/208032315.db2.gz QXKYUXPZYHYDMR-AEFFLSMTSA-N 2 1 313.445 2.530 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000422941209 296358768 /nfs/dbraw/zinc/35/87/68/296358768.db2.gz OIJKBSSDNBZKID-SOLBZPMBSA-N 2 1 317.477 2.592 20 0 DFADMP CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422952890 296360281 /nfs/dbraw/zinc/36/02/81/296360281.db2.gz CNYPHQKGJCTLGH-CVEARBPZSA-N 2 1 323.868 2.580 20 0 DFADMP COCCNc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422962794 296361742 /nfs/dbraw/zinc/36/17/42/296361742.db2.gz DGSAYJRKMASTDX-RTBURBONSA-N 2 1 311.429 2.979 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000422966205 296361927 /nfs/dbraw/zinc/36/19/27/296361927.db2.gz QZGXQUKNFLUJQY-IXDOHACOSA-N 2 1 305.466 2.784 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000347537816 285072445 /nfs/dbraw/zinc/07/24/45/285072445.db2.gz RNLOIDJCCBWPNX-OAHLLOKOSA-N 2 1 315.461 2.674 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000422967344 296362773 /nfs/dbraw/zinc/36/27/73/296362773.db2.gz OYFJUNUJJDJKDQ-NXHRZFHOSA-N 2 1 304.478 2.909 20 0 DFADMP c1cc(OC2CCCC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422972725 296363236 /nfs/dbraw/zinc/36/32/36/296363236.db2.gz MLLZCKSFRGKYEU-XYPWUTKMSA-N 2 1 301.434 2.776 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1c[nH+]ccc1N ZINC000422965387 296362220 /nfs/dbraw/zinc/36/22/20/296362220.db2.gz LAJPZFIBZAKUHX-PBHICJAKSA-N 2 1 313.445 2.947 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@@H]1CCCC[NH2+]1 ZINC000422967343 296362575 /nfs/dbraw/zinc/36/25/75/296362575.db2.gz OYFJUNUJJDJKDQ-NJAFHUGGSA-N 2 1 304.478 2.909 20 0 DFADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969293 296362633 /nfs/dbraw/zinc/36/26/33/296362633.db2.gz ZOLSICKVHBKRRQ-IEBWSBKVSA-N 2 1 317.477 2.562 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969293 296362634 /nfs/dbraw/zinc/36/26/34/296362634.db2.gz ZOLSICKVHBKRRQ-IEBWSBKVSA-N 3 1 317.477 2.562 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969293 296362636 /nfs/dbraw/zinc/36/26/36/296362636.db2.gz ZOLSICKVHBKRRQ-IEBWSBKVSA-N 3 1 317.477 2.562 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422999437 296365501 /nfs/dbraw/zinc/36/55/01/296365501.db2.gz FAUOHVPIOCMHSI-RBUKOAKNSA-N 2 1 312.413 2.946 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005116 296366327 /nfs/dbraw/zinc/36/63/27/296366327.db2.gz QTUDHVUEWWFZDY-UONOGXRCSA-N 2 1 302.340 2.735 20 0 DFADMP CC[C@@H]([NH2+]CCNc1cc(OC)cc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000423007478 296366774 /nfs/dbraw/zinc/36/67/74/296366774.db2.gz XUEGRKNOCNKROV-MSOLQXFVSA-N 2 1 321.465 2.626 20 0 DFADMP COc1ccc([C@@H]([NH2+]CC2(C)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423023915 296369253 /nfs/dbraw/zinc/36/92/53/296369253.db2.gz KSVDDUQMQRCINF-ZWKOTPCHSA-N 2 1 318.461 2.895 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)CN1CCCCCC1 ZINC000423045046 296371409 /nfs/dbraw/zinc/37/14/09/296371409.db2.gz BGBZAZSMRBSQAT-LSDHHAIUSA-N 2 1 304.482 2.764 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000620623740 399547133 /nfs/dbraw/zinc/54/71/33/399547133.db2.gz GTWCWEWFIWFSAD-UHFFFAOYSA-N 2 1 305.466 2.598 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423050110 296371900 /nfs/dbraw/zinc/37/19/00/296371900.db2.gz KTWACAHUQMXSDD-WCQYABFASA-N 2 1 306.841 2.704 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(C)(C)C(=O)OC)CC1 ZINC000602735179 399548027 /nfs/dbraw/zinc/54/80/27/399548027.db2.gz RZVCERUZQJTVPV-UHFFFAOYSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423051075 296372307 /nfs/dbraw/zinc/37/23/07/296372307.db2.gz ZTLDLFOZVFRSIC-KVPLUYHFSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423051075 296372308 /nfs/dbraw/zinc/37/23/08/296372308.db2.gz ZTLDLFOZVFRSIC-KVPLUYHFSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423051075 296372309 /nfs/dbraw/zinc/37/23/09/296372309.db2.gz ZTLDLFOZVFRSIC-KVPLUYHFSA-N 2 1 315.505 2.875 20 0 DFADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423062060 296373617 /nfs/dbraw/zinc/37/36/17/296373617.db2.gz SFDPWSCIVUCIQD-NJYVYQBISA-N 2 1 324.468 2.981 20 0 DFADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423063950 296373654 /nfs/dbraw/zinc/37/36/54/296373654.db2.gz QDXQPCBTDCDYFU-NUEKZKHPSA-N 2 1 312.816 2.726 20 0 DFADMP C[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423067126 296374494 /nfs/dbraw/zinc/37/44/94/296374494.db2.gz YNKPJQDKDIJFAV-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423067411 296374540 /nfs/dbraw/zinc/37/45/40/296374540.db2.gz ZKSKUMHOKUYAAF-WCQYABFASA-N 2 1 306.841 2.704 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423068177 296374614 /nfs/dbraw/zinc/37/46/14/296374614.db2.gz BCBVHNVSYACKTB-DOXZYTNZSA-N 2 1 313.445 2.775 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000159163512 197332513 /nfs/dbraw/zinc/33/25/13/197332513.db2.gz ZUXMPEPGLSKQRB-GOSISDBHSA-N 2 1 318.461 2.991 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423070902 296375049 /nfs/dbraw/zinc/37/50/49/296375049.db2.gz GXMWWHDANFKZRL-CAMMJAKZSA-N 2 1 304.478 2.736 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2OC)CC1 ZINC000159111804 197328611 /nfs/dbraw/zinc/32/86/11/197328611.db2.gz SHVHLDBSZKACPL-HNNXBMFYSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423091307 296377039 /nfs/dbraw/zinc/37/70/39/296377039.db2.gz ZWBJRLJBHHGJHM-IENTYSSBSA-N 2 1 307.404 2.507 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000158687899 197293889 /nfs/dbraw/zinc/29/38/89/197293889.db2.gz KIUBRUKEUYCAGI-NVXWUHKLSA-N 2 1 303.450 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000158687899 197293891 /nfs/dbraw/zinc/29/38/91/197293891.db2.gz KIUBRUKEUYCAGI-NVXWUHKLSA-N 2 1 303.450 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1C ZINC000158688036 197293506 /nfs/dbraw/zinc/29/35/06/197293506.db2.gz KIUBRUKEUYCAGI-WBVHZDCISA-N 2 1 303.450 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1C ZINC000158688036 197293508 /nfs/dbraw/zinc/29/35/08/197293508.db2.gz KIUBRUKEUYCAGI-WBVHZDCISA-N 2 1 303.450 2.623 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423103091 296378524 /nfs/dbraw/zinc/37/85/24/296378524.db2.gz XNHFREYLOXDPBS-IUODEOHRSA-N 2 1 316.367 2.758 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000624119719 399559252 /nfs/dbraw/zinc/55/92/52/399559252.db2.gz HZKHECUYCYRDQE-HUUCEWRRSA-N 2 1 304.434 2.840 20 0 DFADMP CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423108440 296379372 /nfs/dbraw/zinc/37/93/72/296379372.db2.gz MFMZVOFEDIFVIW-KSZLIROESA-N 2 1 320.502 2.796 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCOC[C@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000423112885 296379944 /nfs/dbraw/zinc/37/99/44/296379944.db2.gz SPYUDQKMBXUGHV-XIVBQZFQSA-N 2 1 318.461 2.751 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000423116580 296380284 /nfs/dbraw/zinc/38/02/84/296380284.db2.gz QMERUIWYQNDPCW-ONGXEEELSA-N 2 1 303.269 2.988 20 0 DFADMP FC1(F)CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423114904 296380438 /nfs/dbraw/zinc/38/04/38/296380438.db2.gz MMCDIZYLBCEROX-ZNMIVQPWSA-N 2 1 302.409 2.559 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119138 296380642 /nfs/dbraw/zinc/38/06/42/296380642.db2.gz BGXKZJYVUUHIOS-SUMDDJOVSA-N 2 1 317.477 2.561 20 0 DFADMP CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119138 296380644 /nfs/dbraw/zinc/38/06/44/296380644.db2.gz BGXKZJYVUUHIOS-SUMDDJOVSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423121154 296381151 /nfs/dbraw/zinc/38/11/51/296381151.db2.gz IAROMUMMZOARHZ-JLSDUUJJSA-N 2 1 300.446 2.811 20 0 DFADMP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000423144047 296384144 /nfs/dbraw/zinc/38/41/44/296384144.db2.gz YETYNCSPQHMNHA-JQHSSLGASA-N 2 1 322.880 2.938 20 0 DFADMP C([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000423138782 296383490 /nfs/dbraw/zinc/38/34/90/296383490.db2.gz UBIOTLFKFMXEHA-ZWJWXYIHSA-N 2 1 306.494 2.950 20 0 DFADMP C=Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423143077 296384310 /nfs/dbraw/zinc/38/43/10/296384310.db2.gz WHMPUHAZPPXLFE-IPMKNSEASA-N 2 1 300.446 2.619 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cncn2C)C1 ZINC000347730091 285149265 /nfs/dbraw/zinc/14/92/65/285149265.db2.gz CAEIZKIZWBFCRB-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cncn2C)C1 ZINC000347730091 285149267 /nfs/dbraw/zinc/14/92/67/285149267.db2.gz CAEIZKIZWBFCRB-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000347730091 285149269 /nfs/dbraw/zinc/14/92/69/285149269.db2.gz CAEIZKIZWBFCRB-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000347730091 285149273 /nfs/dbraw/zinc/14/92/73/285149273.db2.gz CAEIZKIZWBFCRB-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423171374 296387664 /nfs/dbraw/zinc/38/76/64/296387664.db2.gz ODKOOYABUBCVST-ZOCIIQOWSA-N 2 1 312.413 2.506 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[NH3+] ZINC000423188811 296390015 /nfs/dbraw/zinc/39/00/15/296390015.db2.gz QLTQPEDVVMLSKL-MRVPVSSYSA-N 2 1 323.746 2.624 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NCC1([NH3+])CCCCC1 ZINC000423181753 296389244 /nfs/dbraw/zinc/38/92/44/296389244.db2.gz PKXJPMMNFHTVMV-SJLPKXTDSA-N 2 1 316.493 2.543 20 0 DFADMP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194474 296390741 /nfs/dbraw/zinc/39/07/41/296390741.db2.gz YTQBWABBFNWJSJ-QFBILLFUSA-N 2 1 313.445 2.927 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423199379 296391735 /nfs/dbraw/zinc/39/17/35/296391735.db2.gz JYVODUHPQWDOJY-CYBMUJFWSA-N 2 1 313.239 2.862 20 0 DFADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCC[NH+](C)C)cc1 ZINC000423212842 296393170 /nfs/dbraw/zinc/39/31/70/296393170.db2.gz KFVXJSGFKNNUPU-NAZJXLNTSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000423221665 296394065 /nfs/dbraw/zinc/39/40/65/296394065.db2.gz XNKLBJSJMYJUCO-GDAAHCPNSA-N 3 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H](c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000423221665 296394066 /nfs/dbraw/zinc/39/40/66/296394066.db2.gz XNKLBJSJMYJUCO-GDAAHCPNSA-N 3 1 301.478 2.800 20 0 DFADMP N[C@H](C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000423244527 296396487 /nfs/dbraw/zinc/39/64/87/296396487.db2.gz HPHFSRRTKQBNQN-WSTZPKSXSA-N 2 1 323.440 2.532 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423259510 296397690 /nfs/dbraw/zinc/39/76/90/296397690.db2.gz FCKGVNPNBLNCPY-CRAIPNDOSA-N 2 1 317.477 2.925 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423273421 296399517 /nfs/dbraw/zinc/39/95/17/296399517.db2.gz KQHGQNRSCMYTNA-BBRMVZONSA-N 2 1 306.454 2.850 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)ccc1OC(F)F ZINC000423274672 296399558 /nfs/dbraw/zinc/39/95/58/296399558.db2.gz KSMJNGDTIPAILC-BXKDBHETSA-N 2 1 300.349 2.685 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000423265414 296398476 /nfs/dbraw/zinc/39/84/76/296398476.db2.gz QYWBCHQLFUASQL-PBHICJAKSA-N 2 1 313.449 2.826 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423275523 296399810 /nfs/dbraw/zinc/39/98/10/296399810.db2.gz NFPDLWNCQAKANW-MTFMMBMASA-N 3 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423275523 296399811 /nfs/dbraw/zinc/39/98/11/296399811.db2.gz NFPDLWNCQAKANW-MTFMMBMASA-N 2 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423275523 296399813 /nfs/dbraw/zinc/39/98/13/296399813.db2.gz NFPDLWNCQAKANW-MTFMMBMASA-N 2 1 315.505 2.732 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccncc1 ZINC000156476848 197115845 /nfs/dbraw/zinc/11/58/45/197115845.db2.gz GCSLOZFVODRCHJ-QGZVFWFLSA-N 2 1 324.472 2.680 20 0 DFADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000423313127 296402886 /nfs/dbraw/zinc/40/28/86/296402886.db2.gz FCBIBLAKBGYWEP-QWHCGFSZSA-N 2 1 313.214 2.902 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@@H]2CCCOC2)cc1 ZINC000423319770 296404137 /nfs/dbraw/zinc/40/41/37/296404137.db2.gz CZPKFLJPXMPVLH-JZGRTCEGSA-N 2 1 318.461 2.545 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(OC)CC2)cc1 ZINC000423327213 296404827 /nfs/dbraw/zinc/40/48/27/296404827.db2.gz JTEFFOITPGDRIP-FYOYPEGLSA-N 2 1 318.461 2.688 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1NC(C)=O ZINC000423341035 296406343 /nfs/dbraw/zinc/40/63/43/296406343.db2.gz WJPAXOMHGMXAND-UGSOOPFHSA-N 2 1 319.449 2.694 20 0 DFADMP C[C@H]1C[C@@H](C[NH2+]CC2=CCCOC2)C[N@H+]1Cc1ccccc1 ZINC000120356299 195149734 /nfs/dbraw/zinc/14/97/34/195149734.db2.gz IBYUHPCGALODIJ-LPHOPBHVSA-N 2 1 300.446 2.833 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CSCCc3ccccc32)CC1 ZINC000154875238 197000652 /nfs/dbraw/zinc/00/06/52/197000652.db2.gz FOBURCSBDKDTHU-GOSISDBHSA-N 2 1 320.502 2.717 20 0 DFADMP OC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000373129309 285240428 /nfs/dbraw/zinc/24/04/28/285240428.db2.gz YCULOELWBORTLS-NNZMDNLPSA-N 2 1 300.446 2.687 20 0 DFADMP COC[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423401501 296412706 /nfs/dbraw/zinc/41/27/06/296412706.db2.gz QXLAUTYITMDSHZ-UGFHNGPFSA-N 2 1 316.367 2.981 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000347909885 285238724 /nfs/dbraw/zinc/23/87/24/285238724.db2.gz QRZCDDAVFCICEN-SFHVURJKSA-N 2 1 319.493 2.870 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c(C)c1OC ZINC000347911103 285239682 /nfs/dbraw/zinc/23/96/82/285239682.db2.gz KQFAFOHJEUMNFF-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c(C)c1OC ZINC000347911103 285239684 /nfs/dbraw/zinc/23/96/84/285239684.db2.gz KQFAFOHJEUMNFF-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C)c1OC ZINC000347911103 285239686 /nfs/dbraw/zinc/23/96/86/285239686.db2.gz KQFAFOHJEUMNFF-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP CCCCN(CC)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928905 285251919 /nfs/dbraw/zinc/25/19/19/285251919.db2.gz JLKSWAHQMDVLDQ-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCCCN(CC)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347928905 285251921 /nfs/dbraw/zinc/25/19/21/285251921.db2.gz JLKSWAHQMDVLDQ-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1noc(CCC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347943316 285261279 /nfs/dbraw/zinc/26/12/79/285261279.db2.gz WQLQFPIDOXRAOI-HIFRSBDPSA-N 2 1 306.454 2.553 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000423490861 296421660 /nfs/dbraw/zinc/42/16/60/296421660.db2.gz ZHNDUYWTPVDXNC-NWDGAFQWSA-N 2 1 314.376 2.599 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000282187625 285278465 /nfs/dbraw/zinc/27/84/65/285278465.db2.gz NDXIQGRINPVUAJ-GBESFXJTSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC12CCC2 ZINC000282187625 285278468 /nfs/dbraw/zinc/27/84/68/285278468.db2.gz NDXIQGRINPVUAJ-GBESFXJTSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000305164721 285290380 /nfs/dbraw/zinc/29/03/80/285290380.db2.gz XYRCJSRUGYKQGB-GDBMZVCRSA-N 2 1 308.491 2.952 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289475598 221002365 /nfs/dbraw/zinc/00/23/65/221002365.db2.gz XLLKCUXUOJIUCV-IAGOWNOFSA-N 2 1 320.387 2.505 20 0 DFADMP FC(F)(F)C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CCCC1 ZINC000624274323 399624764 /nfs/dbraw/zinc/62/47/64/399624764.db2.gz WLCYGXJPEIZUJN-CQSZACIVSA-N 2 1 320.399 2.952 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289293 399627221 /nfs/dbraw/zinc/62/72/21/399627221.db2.gz ILQRRIZEZNHNKG-ONERCXAPSA-N 2 1 317.260 2.957 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289293 399627224 /nfs/dbraw/zinc/62/72/24/399627224.db2.gz ILQRRIZEZNHNKG-ONERCXAPSA-N 2 1 317.260 2.957 20 0 DFADMP CC1(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000289717642 221177011 /nfs/dbraw/zinc/17/70/11/221177011.db2.gz UOVFDLMOQORUKR-SFHVURJKSA-N 2 1 302.462 2.915 20 0 DFADMP CO[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624299038 399630152 /nfs/dbraw/zinc/63/01/52/399630152.db2.gz CEMRYQAETAUMDG-KVPQPJMRSA-N 2 1 300.446 2.949 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(COCCOC)cc1 ZINC000289781379 221222574 /nfs/dbraw/zinc/22/25/74/221222574.db2.gz PZELGHPAUSJSQJ-UHFFFAOYSA-N 2 1 308.466 2.671 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000289803866 221238716 /nfs/dbraw/zinc/23/87/16/221238716.db2.gz MKVXPOUZAMUQEL-KRWDZBQOSA-N 2 1 317.458 2.787 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000624309686 399634160 /nfs/dbraw/zinc/63/41/60/399634160.db2.gz UPTBASFUMLDXDJ-KANFNMMFSA-N 2 1 302.462 2.912 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000624309686 399634163 /nfs/dbraw/zinc/63/41/63/399634163.db2.gz UPTBASFUMLDXDJ-KANFNMMFSA-N 2 1 302.462 2.912 20 0 DFADMP COc1ccc2oc([C@@H](C)[NH2+]CC3([NH3+])CCOCC3)c(C)c2c1 ZINC000629521380 399634177 /nfs/dbraw/zinc/63/41/77/399634177.db2.gz OGFRIRRMXRIZAV-CYBMUJFWSA-N 2 1 318.417 2.908 20 0 DFADMP COc1cccc2cc([C@H](C)[NH2+]CC3([NH3+])CCOCC3)oc21 ZINC000629525087 399635015 /nfs/dbraw/zinc/63/50/15/399635015.db2.gz RSWQVBQUDKMJEC-LBPRGKRZSA-N 2 1 304.390 2.600 20 0 DFADMP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1OC(F)F ZINC000629522159 399634766 /nfs/dbraw/zinc/63/47/66/399634766.db2.gz WOEDVZIQBQQOAQ-ZDUSSCGKSA-N 2 1 314.376 2.837 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1O ZINC000289841202 221262551 /nfs/dbraw/zinc/26/25/51/221262551.db2.gz QRUFONRCEZWCHA-CYBMUJFWSA-N 2 1 304.434 2.926 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC3CC3)CC2)cc1O ZINC000289841208 221263532 /nfs/dbraw/zinc/26/35/32/221263532.db2.gz QRUFONRCEZWCHA-ZDUSSCGKSA-N 2 1 304.434 2.926 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCCOC)cc2)[C@H](C)C1 ZINC000289876955 221286370 /nfs/dbraw/zinc/28/63/70/221286370.db2.gz WYWCZQVJIJAHHW-APWZRJJASA-N 2 1 320.477 2.670 20 0 DFADMP Fc1ccccc1-c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)co1 ZINC000629532949 399637944 /nfs/dbraw/zinc/63/79/44/399637944.db2.gz ZRZZGFACRWPJNY-OKILXGFUSA-N 2 1 315.392 2.912 20 0 DFADMP COC(=O)CCCCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000289981340 221358011 /nfs/dbraw/zinc/35/80/11/221358011.db2.gz ZWZNWNJVQQHONI-UHFFFAOYSA-N 2 1 318.461 2.974 20 0 DFADMP Brc1cnccc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000629533610 399639033 /nfs/dbraw/zinc/63/90/33/399639033.db2.gz LGETZGRPJCEMGT-OAHLLOKOSA-N 2 1 324.266 2.808 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC(NCCOCCC[NH3+])CC1 ZINC000629540145 399639984 /nfs/dbraw/zinc/63/99/84/399639984.db2.gz USTPNZYXTQFYFX-UHFFFAOYSA-N 2 1 313.530 2.621 20 0 DFADMP CC1(C)[C@H](c2ccc(F)cc2)CC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000629576384 399653473 /nfs/dbraw/zinc/65/34/73/399653473.db2.gz UIMOQFAMMZKVNX-SJORKVTESA-N 2 1 318.436 2.915 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000629585928 399655794 /nfs/dbraw/zinc/65/57/94/399655794.db2.gz HQAXRHMGSXVZQK-AKHDSKFASA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000629585928 399655800 /nfs/dbraw/zinc/65/58/00/399655800.db2.gz HQAXRHMGSXVZQK-AKHDSKFASA-N 2 1 302.462 2.505 20 0 DFADMP C/C=C\C[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595242 399659059 /nfs/dbraw/zinc/65/90/59/399659059.db2.gz LLHQKNCPLQVKMA-VCOPZDESSA-N 2 1 302.462 2.596 20 0 DFADMP CC[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000629545645 399642569 /nfs/dbraw/zinc/64/25/69/399642569.db2.gz IJAKXYFNDIPTLC-CVEARBPZSA-N 2 1 319.840 2.707 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H](C)C(F)(F)[C@@H](C)C2)cc1 ZINC000629552799 399646348 /nfs/dbraw/zinc/64/63/48/399646348.db2.gz QJIPYHDUARNZQC-GUTXKFCHSA-N 2 1 312.404 2.961 20 0 DFADMP Cc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629560652 399649587 /nfs/dbraw/zinc/64/95/87/399649587.db2.gz GEVPELHYWWDSRU-GJZGRUSLSA-N 2 1 300.368 2.997 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)o1 ZINC000617351897 399675684 /nfs/dbraw/zinc/67/56/84/399675684.db2.gz RQAMTTGQPAPNTD-AWEZNQCLSA-N 2 1 321.465 2.724 20 0 DFADMP C[NH2+]CCc1ccc(-c2ccc(C[NH+]3CCOCC3)cc2)cc1 ZINC000629732745 399706627 /nfs/dbraw/zinc/70/66/27/399706627.db2.gz FPJFICOMZVZQCB-UHFFFAOYSA-N 2 1 310.441 2.948 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2cccc3c2C[NH2+]CC3)CC1 ZINC000629734986 399707533 /nfs/dbraw/zinc/70/75/33/399707533.db2.gz COHOQRDWZRPEGR-UHFFFAOYSA-N 2 1 321.468 2.747 20 0 DFADMP CCOC[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000093418937 542553016 /nfs/dbraw/zinc/55/30/16/542553016.db2.gz QIVZKJHHSDTIQU-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CC1=C(C)C[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617502444 399719138 /nfs/dbraw/zinc/71/91/38/399719138.db2.gz PHVQFOILNQYIJL-IRXDYDNUSA-N 2 1 309.498 2.511 20 0 DFADMP CC1=C(C)C[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617502444 399719143 /nfs/dbraw/zinc/71/91/43/399719143.db2.gz PHVQFOILNQYIJL-IRXDYDNUSA-N 2 1 309.498 2.511 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)ccn1 ZINC000621255428 399735045 /nfs/dbraw/zinc/73/50/45/399735045.db2.gz NJXWUPCZIGWHTN-QGZVFWFLSA-N 2 1 311.433 2.555 20 0 DFADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000348113617 285357660 /nfs/dbraw/zinc/35/76/60/285357660.db2.gz RWQWMAWNKOWXFD-ILXRZTDVSA-N 2 1 320.399 2.950 20 0 DFADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000348113617 285357668 /nfs/dbraw/zinc/35/76/68/285357668.db2.gz RWQWMAWNKOWXFD-ILXRZTDVSA-N 2 1 320.399 2.950 20 0 DFADMP CC[N@H+]1CC[C@@H](NC[C@@H](c2cccc(OC)c2)[NH+](C)C)[C@H](C)C1 ZINC000133647664 285376681 /nfs/dbraw/zinc/37/66/81/285376681.db2.gz FBOUMTGUAIKONO-LZQZEXGQSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647664 285376682 /nfs/dbraw/zinc/37/66/82/285376682.db2.gz FBOUMTGUAIKONO-LZQZEXGQSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647664 285376684 /nfs/dbraw/zinc/37/66/84/285376684.db2.gz FBOUMTGUAIKONO-LZQZEXGQSA-N 2 1 319.493 2.618 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCCCn1cc[nH+]c1C)CO2 ZINC000297493320 533266508 /nfs/dbraw/zinc/26/65/08/533266508.db2.gz BNERDJRQXWNLGB-MRXNPFEDSA-N 2 1 315.417 2.574 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000603320424 399744280 /nfs/dbraw/zinc/74/42/80/399744280.db2.gz IMJMEHPFHLGGGC-YJBOKZPZSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309708443 533499874 /nfs/dbraw/zinc/49/98/74/533499874.db2.gz IULAICSKTHGGKT-KCITZHQASA-N 2 1 302.462 2.912 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccsc1 ZINC000629948663 399764122 /nfs/dbraw/zinc/76/41/22/399764122.db2.gz LNKIWOWGYZDPCJ-MRXNPFEDSA-N 2 1 323.506 2.732 20 0 DFADMP C[C@]1(O)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000129581711 542624477 /nfs/dbraw/zinc/62/44/77/542624477.db2.gz NIPSZQXSNYAIFB-IBGZPJMESA-N 2 1 318.461 2.508 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@H](C)[NH+](C)C)cc1 ZINC000617752633 399789875 /nfs/dbraw/zinc/78/98/75/399789875.db2.gz REVZYCGFIOVEGT-INIZCTEOSA-N 2 1 319.493 2.989 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000163854018 132123894 /nfs/dbraw/zinc/12/38/94/132123894.db2.gz YORMAUJECLOFEQ-OLZOCXBDSA-N 2 1 309.841 2.585 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1nccn1CCc1ccccc1 ZINC000164276349 132133899 /nfs/dbraw/zinc/13/38/99/132133899.db2.gz HXPVIKAQBZZLPF-AEFFLSMTSA-N 2 1 312.461 2.556 20 0 DFADMP CNC(=O)[C@H](CC(C)C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000163694077 542743615 /nfs/dbraw/zinc/74/36/15/542743615.db2.gz WVKYANBJNULAIY-KRWDZBQOSA-N 2 1 309.498 2.534 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166228984 542750061 /nfs/dbraw/zinc/75/00/61/542750061.db2.gz SYAQSHDEZHVDPJ-ZWKOTPCHSA-N 2 1 321.509 2.630 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2n1 ZINC000166719848 542751833 /nfs/dbraw/zinc/75/18/33/542751833.db2.gz FXNLFNMLBSALNP-HZPDHXFCSA-N 2 1 311.429 2.960 20 0 DFADMP C[N@@H+](CCN1CC[NH+](C2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000173189130 542759198 /nfs/dbraw/zinc/75/91/98/542759198.db2.gz BPXQQKIYYNVEKO-UHFFFAOYSA-N 2 1 319.468 2.818 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000603735450 399800355 /nfs/dbraw/zinc/80/03/55/399800355.db2.gz ATDLAGVCEZRAIT-KZNAEPCWSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000603735450 399800358 /nfs/dbraw/zinc/80/03/58/399800358.db2.gz ATDLAGVCEZRAIT-KZNAEPCWSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000603735450 399800366 /nfs/dbraw/zinc/80/03/66/399800366.db2.gz ATDLAGVCEZRAIT-KZNAEPCWSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CC(C)(C)c2ccccc2)CC1 ZINC000180093955 542783267 /nfs/dbraw/zinc/78/32/67/542783267.db2.gz LMKVWAGODFFQJU-KRWDZBQOSA-N 2 1 318.505 2.989 20 0 DFADMP c1ccc(C(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccccc2)cc1 ZINC000613209730 399819651 /nfs/dbraw/zinc/81/96/51/399819651.db2.gz FTXTWFMXVSJEKK-PMACEKPBSA-N 2 1 322.452 2.944 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496196219 300028778 /nfs/dbraw/zinc/02/87/78/300028778.db2.gz AJNVNSWCTGFVLB-XGUBFFRZSA-N 2 1 313.486 2.608 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000268887522 542961501 /nfs/dbraw/zinc/96/15/01/542961501.db2.gz NEGYMYDQEUEEPH-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000268887522 542961504 /nfs/dbraw/zinc/96/15/04/542961504.db2.gz NEGYMYDQEUEEPH-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000275805644 542976114 /nfs/dbraw/zinc/97/61/14/542976114.db2.gz UHFOFOPVIREHFW-QZTJIDSGSA-N 2 1 317.477 2.918 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000280003424 542986470 /nfs/dbraw/zinc/98/64/70/542986470.db2.gz GDVIAYOTLCBMKV-SUMWQHHRSA-N 2 1 316.445 2.765 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000424373289 296505327 /nfs/dbraw/zinc/50/53/27/296505327.db2.gz JLHSMXZFUAXKQN-BMGDILEWSA-N 3 1 305.466 2.548 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCCC1 ZINC000305881535 543063598 /nfs/dbraw/zinc/06/35/98/543063598.db2.gz VHBHUKFDBPXINI-GBESFXJTSA-N 2 1 314.473 2.792 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccccc3C)no2)CC1 ZINC000320650655 543083140 /nfs/dbraw/zinc/08/31/40/543083140.db2.gz IPGGEHSPVKXMJR-UHFFFAOYSA-N 2 1 314.433 2.867 20 0 DFADMP CCN(CCC[N@H+]1CCC[C@H](n2ccnc2)C1)CC(F)(F)F ZINC000681208351 545611414 /nfs/dbraw/zinc/61/14/14/545611414.db2.gz HABWPOMULWKRPP-AWEZNQCLSA-N 2 1 318.387 2.794 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000339252689 543142687 /nfs/dbraw/zinc/14/26/87/543142687.db2.gz HNHWWWLECGNZCV-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000338008676 543134877 /nfs/dbraw/zinc/13/48/77/543134877.db2.gz SMJXYWTXENDXRN-GOSISDBHSA-N 2 1 309.417 2.694 20 0 DFADMP CC(C)CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000338797912 543138072 /nfs/dbraw/zinc/13/80/72/543138072.db2.gz ZHOJYGVLRYUDGT-GOSISDBHSA-N 2 1 323.525 2.734 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068198 543139396 /nfs/dbraw/zinc/13/93/96/543139396.db2.gz MJQFPZXYPMGQCS-OAGGEKHMSA-N 2 1 304.434 2.679 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000339071101 543139430 /nfs/dbraw/zinc/13/94/30/543139430.db2.gz QCJUJZXPGSIQFJ-IRXDYDNUSA-N 2 1 302.466 2.644 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000339071101 543139434 /nfs/dbraw/zinc/13/94/34/543139434.db2.gz QCJUJZXPGSIQFJ-IRXDYDNUSA-N 2 1 302.466 2.644 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000339068356 543139442 /nfs/dbraw/zinc/13/94/42/543139442.db2.gz FXNLFNMLBSALNP-HOTGVXAUSA-N 2 1 311.429 2.960 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068199 543139915 /nfs/dbraw/zinc/13/99/15/543139915.db2.gz MJQFPZXYPMGQCS-PMPSAXMXSA-N 2 1 304.434 2.679 20 0 DFADMP CCO[C@@H](C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000625180437 399858267 /nfs/dbraw/zinc/85/82/67/399858267.db2.gz LUUQDCLECMQOAN-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000625180437 399858270 /nfs/dbraw/zinc/85/82/70/399858270.db2.gz LUUQDCLECMQOAN-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(COC)o2)[C@@H](C)C1 ZINC000344429768 543172402 /nfs/dbraw/zinc/17/24/02/543172402.db2.gz KCKVSIRMRZRCFU-MAUKXSAKSA-N 2 1 324.465 2.653 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000353795453 146761519 /nfs/dbraw/zinc/76/15/19/146761519.db2.gz MCUAIRWDRHKWHS-ZGOKBZQCSA-N 2 1 321.509 2.521 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000425343425 296569813 /nfs/dbraw/zinc/56/98/13/296569813.db2.gz IGTSEOORNYRCOI-HZPDHXFCSA-N 2 1 323.506 2.987 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398181545 543310651 /nfs/dbraw/zinc/31/06/51/543310651.db2.gz KDLPNSNNWOBUAT-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398181545 543310655 /nfs/dbraw/zinc/31/06/55/543310655.db2.gz KDLPNSNNWOBUAT-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398181545 543310659 /nfs/dbraw/zinc/31/06/59/543310659.db2.gz KDLPNSNNWOBUAT-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000164578201 145224585 /nfs/dbraw/zinc/22/45/85/145224585.db2.gz VFNCLYNQUMBLCA-CJNGLKHVSA-N 2 1 319.474 2.520 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000164578201 145224586 /nfs/dbraw/zinc/22/45/86/145224586.db2.gz VFNCLYNQUMBLCA-CJNGLKHVSA-N 2 1 319.474 2.520 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000164577223 145224588 /nfs/dbraw/zinc/22/45/88/145224588.db2.gz USUFEUTZHIQDNX-YJBOKZPZSA-N 2 1 315.461 2.999 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000164626769 145224992 /nfs/dbraw/zinc/22/49/92/145224992.db2.gz HKWYZYAPOBYAJX-HNNXBMFYSA-N 2 1 324.432 2.903 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000165348612 145229386 /nfs/dbraw/zinc/22/93/86/145229386.db2.gz RATNOQAJSFUNSQ-HKUYNNGSSA-N 2 1 302.462 2.566 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000165716845 145232033 /nfs/dbraw/zinc/23/20/33/145232033.db2.gz SSZCQEQRJZLUMA-YJBOKZPZSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)CC[N@H+]1C ZINC000165716845 145232035 /nfs/dbraw/zinc/23/20/35/145232035.db2.gz SSZCQEQRJZLUMA-YJBOKZPZSA-N 2 1 319.468 2.862 20 0 DFADMP CC(C)[C@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172337753 145298721 /nfs/dbraw/zinc/29/87/21/145298721.db2.gz WSJIBPNMFBJJPJ-QGZVFWFLSA-N 2 1 318.465 2.552 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000173528396 145346590 /nfs/dbraw/zinc/34/65/90/145346590.db2.gz RTDFHNOJVKZLIL-ULQDDVLXSA-N 2 1 311.514 2.732 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+](C)C)c(C)c2)CC[N@H+]1C ZINC000633407010 399899627 /nfs/dbraw/zinc/89/96/27/399899627.db2.gz IAQLIJLYBXFGKO-DLBZAZTESA-N 2 1 303.450 2.725 20 0 DFADMP Brc1c[nH+]ccc1NCc1cccc2c1CC[NH2+]C2 ZINC000630551075 399901751 /nfs/dbraw/zinc/90/17/51/399901751.db2.gz XSRIJACTQGHJTP-UHFFFAOYSA-N 2 1 318.218 2.524 20 0 DFADMP Brc1ccc2c(c1)[nH+]ccc2N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000630556067 399902816 /nfs/dbraw/zinc/90/28/16/399902816.db2.gz ONXRECNMXGCQOS-TXEJJXNPSA-N 2 1 318.218 2.938 20 0 DFADMP CC[NH+](CC)Cc1cn([C@H]2CC[N@H+](Cc3ccccc3)C2)nn1 ZINC000630592574 399907177 /nfs/dbraw/zinc/90/71/77/399907177.db2.gz TWZWDXRVYCLDAL-SFHVURJKSA-N 2 1 313.449 2.567 20 0 DFADMP CC[NH+](CC)Cc1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000630592574 399907180 /nfs/dbraw/zinc/90/71/80/399907180.db2.gz TWZWDXRVYCLDAL-SFHVURJKSA-N 2 1 313.449 2.567 20 0 DFADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)C1CC[NH+](C)CC1 ZINC000627616963 399947387 /nfs/dbraw/zinc/94/73/87/399947387.db2.gz MZLQDTRMJKDZCA-UHFFFAOYSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(=O)[nH]c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631108659 399982010 /nfs/dbraw/zinc/98/20/10/399982010.db2.gz DSAWZBZKPJCKID-YJBOKZPZSA-N 2 1 311.429 2.787 20 0 DFADMP CCC1([NH+]2CCCC2)CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000633954638 399965317 /nfs/dbraw/zinc/96/53/17/399965317.db2.gz VVQJNPZTYFELBM-CALCHBBNSA-N 2 1 321.509 2.726 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000681260688 545619552 /nfs/dbraw/zinc/61/95/52/545619552.db2.gz BTTUNJHILNPJDB-UKRRQHHQSA-N 2 1 306.454 2.522 20 0 DFADMP C[C@@H](CC[NH2+]Cc1c2c(nn1C)CCCC2)[NH+]1CCCCC1 ZINC000631112249 399983141 /nfs/dbraw/zinc/98/31/41/399983141.db2.gz UUXUDNFIXWPVNI-HNNXBMFYSA-N 2 1 304.482 2.653 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000631080120 399976709 /nfs/dbraw/zinc/97/67/09/399976709.db2.gz NXFSZIUJCJDBLD-UHFFFAOYSA-N 2 1 300.406 2.720 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000631121839 399984747 /nfs/dbraw/zinc/98/47/47/399984747.db2.gz SYJNHSDCXFUDRV-UHFFFAOYSA-N 2 1 303.450 2.857 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000631179219 399997281 /nfs/dbraw/zinc/99/72/81/399997281.db2.gz PQZHELNJFQOERS-OAHLLOKOSA-N 2 1 323.506 2.544 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000631179219 399997283 /nfs/dbraw/zinc/99/72/83/399997283.db2.gz PQZHELNJFQOERS-OAHLLOKOSA-N 2 1 323.506 2.544 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195264 400000868 /nfs/dbraw/zinc/00/08/68/400000868.db2.gz DIBJODLSRCWCJJ-FUHWJXTLSA-N 2 1 312.461 2.586 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195264 400000869 /nfs/dbraw/zinc/00/08/69/400000869.db2.gz DIBJODLSRCWCJJ-FUHWJXTLSA-N 2 1 312.461 2.586 20 0 DFADMP CCn1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195321 400001117 /nfs/dbraw/zinc/00/11/17/400001117.db2.gz FEBVXIWLSALHAZ-AEFFLSMTSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195321 400001120 /nfs/dbraw/zinc/00/11/20/400001120.db2.gz FEBVXIWLSALHAZ-AEFFLSMTSA-N 2 1 312.461 2.761 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000631196059 400001658 /nfs/dbraw/zinc/00/16/58/400001658.db2.gz NKDSKDLNRNAYNV-LPHOPBHVSA-N 2 1 300.446 2.691 20 0 DFADMP Cc1nc(C)c(C[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000628210002 400002250 /nfs/dbraw/zinc/00/22/50/400002250.db2.gz CQERDCXCHKVMBV-UHFFFAOYSA-N 2 1 303.406 2.522 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000631215975 400005722 /nfs/dbraw/zinc/00/57/22/400005722.db2.gz IMSSMJBTUHLEQD-FVQBIDKESA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000631215975 400005724 /nfs/dbraw/zinc/00/57/24/400005724.db2.gz IMSSMJBTUHLEQD-FVQBIDKESA-N 2 1 312.404 2.645 20 0 DFADMP Cc1ccc([C@@H](C)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000628279079 400012588 /nfs/dbraw/zinc/01/25/88/400012588.db2.gz SSXBAXHUODCLGE-SFHVURJKSA-N 2 1 303.494 2.668 20 0 DFADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1cccc(OC)c1OC ZINC000631577582 400053717 /nfs/dbraw/zinc/05/37/17/400053717.db2.gz QZPDIHAEGWRNDV-OAHLLOKOSA-N 2 1 303.406 2.950 20 0 DFADMP c1cnc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CCC2 ZINC000631580148 400054086 /nfs/dbraw/zinc/05/40/86/400054086.db2.gz DGBKMCBNHQDUCP-KXBFYZLASA-N 2 1 315.461 2.550 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCCc3ncccc32)CCCO1 ZINC000631621726 400058860 /nfs/dbraw/zinc/05/88/60/400058860.db2.gz JSTFLYLUDQQZFX-YJBOKZPZSA-N 2 1 303.450 2.550 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3ncccc32)CCCO1 ZINC000631621726 400058862 /nfs/dbraw/zinc/05/88/62/400058862.db2.gz JSTFLYLUDQQZFX-YJBOKZPZSA-N 2 1 303.450 2.550 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000631665304 400064175 /nfs/dbraw/zinc/06/41/75/400064175.db2.gz VEUUIGDUXBZNHE-NEPXVJNWSA-N 2 1 302.462 2.769 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000628965475 400066603 /nfs/dbraw/zinc/06/66/03/400066603.db2.gz YJOGSFDYCSVOLF-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP c1ccc(C[N@@H+](C[C@@H]2CCCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000631823324 400077746 /nfs/dbraw/zinc/07/77/46/400077746.db2.gz BILQCRDWNDWZLF-MSOLQXFVSA-N 2 1 303.450 2.595 20 0 DFADMP c1ccc(C[N@H+](C[C@@H]2CCCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000631823324 400077747 /nfs/dbraw/zinc/07/77/47/400077747.db2.gz BILQCRDWNDWZLF-MSOLQXFVSA-N 2 1 303.450 2.595 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827480 400077923 /nfs/dbraw/zinc/07/79/23/400077923.db2.gz PDDSSEDFMQJGCH-CVEARBPZSA-N 2 1 300.446 2.581 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)co2)c1 ZINC000631825597 400077956 /nfs/dbraw/zinc/07/79/56/400077956.db2.gz NIJSKDAUODSFJI-AWEZNQCLSA-N 2 1 315.417 2.911 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631826757 400077992 /nfs/dbraw/zinc/07/79/92/400077992.db2.gz WIXRONUJVALTAD-SJORKVTESA-N 2 1 314.473 2.971 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000631829547 400078174 /nfs/dbraw/zinc/07/81/74/400078174.db2.gz TZSKAVRKZVGOIJ-QXAKKESOSA-N 2 1 317.477 2.868 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)COCC2 ZINC000631829669 400078205 /nfs/dbraw/zinc/07/82/05/400078205.db2.gz XBWQICNFIJBBLS-KRWDZBQOSA-N 2 1 314.473 2.971 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)n1 ZINC000631830458 400078228 /nfs/dbraw/zinc/07/82/28/400078228.db2.gz SLQATFVOWWEUQG-ZFWWWQNUSA-N 2 1 315.383 2.966 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)n1 ZINC000631830458 400078229 /nfs/dbraw/zinc/07/82/29/400078229.db2.gz SLQATFVOWWEUQG-ZFWWWQNUSA-N 2 1 315.383 2.966 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CC[C@@H]1C(F)(F)F ZINC000631830111 400078357 /nfs/dbraw/zinc/07/83/57/400078357.db2.gz KDOMFJATXNUPGQ-MXWKQRLJSA-N 2 1 300.315 2.881 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840043 400079063 /nfs/dbraw/zinc/07/90/63/400079063.db2.gz OVDPKKSGQUZIOI-YPMHNXCESA-N 2 1 302.340 2.654 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421074 146068910 /nfs/dbraw/zinc/06/89/10/146068910.db2.gz HUIDGLBZSZIEHC-YOEHRIQHSA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421074 146068913 /nfs/dbraw/zinc/06/89/13/146068913.db2.gz HUIDGLBZSZIEHC-YOEHRIQHSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421074 146068924 /nfs/dbraw/zinc/06/89/24/146068924.db2.gz HUIDGLBZSZIEHC-YOEHRIQHSA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749813 146099934 /nfs/dbraw/zinc/09/99/34/146099934.db2.gz NMZGYQLKCFSDDA-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749813 146099935 /nfs/dbraw/zinc/09/99/35/146099935.db2.gz NMZGYQLKCFSDDA-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749813 146099936 /nfs/dbraw/zinc/09/99/36/146099936.db2.gz NMZGYQLKCFSDDA-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000245749813 146099937 /nfs/dbraw/zinc/09/99/37/146099937.db2.gz NMZGYQLKCFSDDA-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000245847033 146104139 /nfs/dbraw/zinc/10/41/39/146104139.db2.gz FSWQMBSJDCJMJM-BMFZPTHFSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000245847033 146104143 /nfs/dbraw/zinc/10/41/43/146104143.db2.gz FSWQMBSJDCJMJM-BMFZPTHFSA-N 2 1 307.869 2.991 20 0 DFADMP CN(CC[N@@H+](C)[C@H]1CCc2ccc(F)cc21)C1CC[NH+](C)CC1 ZINC000246018015 146114611 /nfs/dbraw/zinc/11/46/11/146114611.db2.gz LCYRYZNIVLDEBL-IBGZPJMESA-N 2 1 319.468 2.771 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246204518 146129316 /nfs/dbraw/zinc/12/93/16/146129316.db2.gz MBGOBTDFQSKVCM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246204518 146129322 /nfs/dbraw/zinc/12/93/22/146129322.db2.gz MBGOBTDFQSKVCM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246204518 146129325 /nfs/dbraw/zinc/12/93/25/146129325.db2.gz MBGOBTDFQSKVCM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246204518 146129327 /nfs/dbraw/zinc/12/93/27/146129327.db2.gz MBGOBTDFQSKVCM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000246296658 146136305 /nfs/dbraw/zinc/13/63/05/146136305.db2.gz VAUCDQIUWGMREL-RHSMWYFYSA-N 2 1 318.465 2.598 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246541215 146143678 /nfs/dbraw/zinc/14/36/78/146143678.db2.gz VXSFIYQFNXBELC-MAUKXSAKSA-N 2 1 306.450 2.532 20 0 DFADMP COCCC[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000247013956 146159407 /nfs/dbraw/zinc/15/94/07/146159407.db2.gz LIORGNGBAMRLTK-IAGOWNOFSA-N 2 1 320.477 2.812 20 0 DFADMP COCCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000247013956 146159409 /nfs/dbraw/zinc/15/94/09/146159409.db2.gz LIORGNGBAMRLTK-IAGOWNOFSA-N 2 1 320.477 2.812 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247090556 146160370 /nfs/dbraw/zinc/16/03/70/146160370.db2.gz NZDDAHPSMDWEQE-ZQIUZPCESA-N 2 1 323.431 2.863 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160445 /nfs/dbraw/zinc/16/04/45/146160445.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160449 /nfs/dbraw/zinc/16/04/49/146160449.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160452 /nfs/dbraw/zinc/16/04/52/146160452.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160457 /nfs/dbraw/zinc/16/04/57/146160457.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090572 146160460 /nfs/dbraw/zinc/16/04/60/146160460.db2.gz NZHWDEOMENFHDE-CUDHKJQZSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247215169 146165253 /nfs/dbraw/zinc/16/52/53/146165253.db2.gz VQMRQKXIVSOGQE-QFBILLFUSA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247215169 146165257 /nfs/dbraw/zinc/16/52/57/146165257.db2.gz VQMRQKXIVSOGQE-QFBILLFUSA-N 2 1 312.461 2.751 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248886119 146173612 /nfs/dbraw/zinc/17/36/12/146173612.db2.gz MCBIZNMAKSZKKG-QXCZDIPSSA-N 2 1 314.473 2.931 20 0 DFADMP CC[C@@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248883689 146174234 /nfs/dbraw/zinc/17/42/34/146174234.db2.gz LLWNBZCXWRGDKF-FCGDIQPGSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249000407 146183124 /nfs/dbraw/zinc/18/31/24/146183124.db2.gz QILDBPVRZKIGCI-VUCRHFMTSA-N 2 1 307.526 2.958 20 0 DFADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000249090823 146187008 /nfs/dbraw/zinc/18/70/08/146187008.db2.gz KJYWTVKDBWNFSX-BFYDXBDKSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000249090823 146187009 /nfs/dbraw/zinc/18/70/09/146187009.db2.gz KJYWTVKDBWNFSX-BFYDXBDKSA-N 2 1 308.491 2.975 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189474 /nfs/dbraw/zinc/18/94/74/146189474.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189479 /nfs/dbraw/zinc/18/94/79/146189479.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189482 /nfs/dbraw/zinc/18/94/82/146189482.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189486 /nfs/dbraw/zinc/18/94/86/146189486.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189491 /nfs/dbraw/zinc/18/94/91/146189491.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189495 /nfs/dbraw/zinc/18/94/95/146189495.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249163073 146189499 /nfs/dbraw/zinc/18/94/99/146189499.db2.gz ZNQLFWZCYAKVGK-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000453333688 543371432 /nfs/dbraw/zinc/37/14/32/543371432.db2.gz BTTHSDCYVMROIJ-YRXWBPOGSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[C@H]1c1ccccc1 ZINC000453333688 543371434 /nfs/dbraw/zinc/37/14/34/543371434.db2.gz BTTHSDCYVMROIJ-YRXWBPOGSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000453333683 543371739 /nfs/dbraw/zinc/37/17/39/543371739.db2.gz BTTHSDCYVMROIJ-MKXGPGLRSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000453333683 543371741 /nfs/dbraw/zinc/37/17/41/543371741.db2.gz BTTHSDCYVMROIJ-MKXGPGLRSA-N 2 1 302.462 2.963 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000453397065 543372189 /nfs/dbraw/zinc/37/21/89/543372189.db2.gz JFZIEMKBHBRYKV-HKUYNNGSSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000453397065 543372192 /nfs/dbraw/zinc/37/21/92/543372192.db2.gz JFZIEMKBHBRYKV-HKUYNNGSSA-N 2 1 310.445 2.753 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539716 146237783 /nfs/dbraw/zinc/23/77/83/146237783.db2.gz DBBOAPHHHQZRQC-FLODPWGTSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261539716 146237787 /nfs/dbraw/zinc/23/77/87/146237787.db2.gz DBBOAPHHHQZRQC-FLODPWGTSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261556783 146241260 /nfs/dbraw/zinc/24/12/60/146241260.db2.gz WIJCUNJWJCMWFT-APWZRJJASA-N 2 1 301.478 2.771 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000261579651 146242800 /nfs/dbraw/zinc/24/28/00/146242800.db2.gz PNODUDDHDAOCMZ-GZBFAFLISA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1Br ZINC000261579651 146242803 /nfs/dbraw/zinc/24/28/03/146242803.db2.gz PNODUDDHDAOCMZ-GZBFAFLISA-N 2 1 309.251 2.927 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261616657 146247033 /nfs/dbraw/zinc/24/70/33/146247033.db2.gz CSUKPFYBMPVQHK-MOPGFXCFSA-N 2 1 323.440 2.819 20 0 DFADMP c1ccc(C[N@H+](C[C@@H]2CCSC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261650382 146253413 /nfs/dbraw/zinc/25/34/13/146253413.db2.gz BAPWCTISTPUYDP-RDJZCZTQSA-N 2 1 305.491 2.779 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000261685407 146259799 /nfs/dbraw/zinc/25/97/99/146259799.db2.gz KGDSTBQTGQBKEH-MRXNPFEDSA-N 2 1 320.824 2.603 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000261710936 146263617 /nfs/dbraw/zinc/26/36/17/146263617.db2.gz PBTGIHRLJJOZKX-CYZMBNFOSA-N 2 1 310.825 2.526 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(Cl)c1OC ZINC000261710936 146263621 /nfs/dbraw/zinc/26/36/21/146263621.db2.gz PBTGIHRLJJOZKX-CYZMBNFOSA-N 2 1 310.825 2.526 20 0 DFADMP CC(C)(N)c1noc(CN2CCC(Cc3ccccc3)CC2)n1 ZINC000261715655 146265117 /nfs/dbraw/zinc/26/51/17/146265117.db2.gz LLTPSJWHKYTWFH-UHFFFAOYSA-N 2 1 314.433 2.718 20 0 DFADMP CN(C)[C@@H](c1nc(C2(N)CCC2)no1)c1cccc(Cl)c1 ZINC000261721046 146265186 /nfs/dbraw/zinc/26/51/86/146265186.db2.gz JPGQLUBWJOJLML-GFCCVEGCSA-N 2 1 306.797 2.712 20 0 DFADMP C[C@H]([NH3+])CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000261724755 146266057 /nfs/dbraw/zinc/26/60/57/146266057.db2.gz FMQQBJRPKJRFMJ-XHSDSOJGSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@@H]([NH3+])CC(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000261724752 146266467 /nfs/dbraw/zinc/26/64/67/146266467.db2.gz FMQQBJRPKJRFMJ-OWCLPIDISA-N 2 1 317.477 2.518 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]12 ZINC000261773625 146274450 /nfs/dbraw/zinc/27/44/50/146274450.db2.gz WFDPWWWRSOESFJ-MRVWCRGKSA-N 2 1 300.324 2.754 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+]3CCC[C@@H]3C[NH3+])CCC2)c1 ZINC000261827887 146285070 /nfs/dbraw/zinc/28/50/70/146285070.db2.gz ADCZJMSKYPETQX-QGZVFWFLSA-N 2 1 318.461 2.805 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@@H]3C[NH3+])CCC2)c1 ZINC000261827887 146285075 /nfs/dbraw/zinc/28/50/75/146285075.db2.gz ADCZJMSKYPETQX-QGZVFWFLSA-N 2 1 318.461 2.805 20 0 DFADMP C[C@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000261853286 146288557 /nfs/dbraw/zinc/28/85/57/146288557.db2.gz DVGYVQIRRJSPJQ-CYBMUJFWSA-N 2 1 315.383 2.603 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)C1CCCCC1 ZINC000261850235 146288683 /nfs/dbraw/zinc/28/86/83/146288683.db2.gz ZSUNVGLHMOCKGN-NXHRZFHOSA-N 2 1 321.509 2.678 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261863941 146290460 /nfs/dbraw/zinc/29/04/60/146290460.db2.gz KOLNAQVSFYVDOO-SZMVWBNQSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000261863941 146290463 /nfs/dbraw/zinc/29/04/63/146290463.db2.gz KOLNAQVSFYVDOO-SZMVWBNQSA-N 2 1 315.461 2.808 20 0 DFADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261881837 146295058 /nfs/dbraw/zinc/29/50/58/146295058.db2.gz RCOHASOUYKRSHB-RCCFBDPRSA-N 2 1 306.425 2.977 20 0 DFADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000261881831 146295490 /nfs/dbraw/zinc/29/54/90/146295490.db2.gz RCOHASOUYKRSHB-KZNAEPCWSA-N 2 1 306.425 2.977 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261908137 146298872 /nfs/dbraw/zinc/29/88/72/146298872.db2.gz XNOXYXPYHUVILD-HXUWFJFHSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261908137 146298875 /nfs/dbraw/zinc/29/88/75/146298875.db2.gz XNOXYXPYHUVILD-HXUWFJFHSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000261908137 146298879 /nfs/dbraw/zinc/29/88/79/146298879.db2.gz XNOXYXPYHUVILD-HXUWFJFHSA-N 2 1 315.505 2.830 20 0 DFADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261911324 146300458 /nfs/dbraw/zinc/30/04/58/146300458.db2.gz JCNYNCHGKWWXSF-XHSDSOJGSA-N 2 1 324.465 2.794 20 0 DFADMP CC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)[C@@H]1CCC[NH2+]CC1 ZINC000261930731 146304030 /nfs/dbraw/zinc/30/40/30/146304030.db2.gz LOGLRFBMRMUHHQ-CQSZACIVSA-N 2 1 319.474 2.564 20 0 DFADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000261928090 146304215 /nfs/dbraw/zinc/30/42/15/146304215.db2.gz LHPMGGOCGAQKKU-KSZLIROESA-N 2 1 318.436 2.604 20 0 DFADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261930980 146304533 /nfs/dbraw/zinc/30/45/33/146304533.db2.gz LSFAJFRTIQJCRU-OTWHNJEPSA-N 2 1 302.462 2.593 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261939809 146305489 /nfs/dbraw/zinc/30/54/89/146305489.db2.gz MQOBPNALFSHUDO-RCCFBDPRSA-N 2 1 318.461 2.640 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261953947 146309430 /nfs/dbraw/zinc/30/94/30/146309430.db2.gz GJCJBUWZKVUZDF-HXUWFJFHSA-N 2 1 323.440 2.943 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000261953947 146309435 /nfs/dbraw/zinc/30/94/35/146309435.db2.gz GJCJBUWZKVUZDF-HXUWFJFHSA-N 2 1 323.440 2.943 20 0 DFADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261958446 146309966 /nfs/dbraw/zinc/30/99/66/146309966.db2.gz GXJGGSFMUNFVIG-KRWDZBQOSA-N 2 1 316.836 2.916 20 0 DFADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261958446 146309968 /nfs/dbraw/zinc/30/99/68/146309968.db2.gz GXJGGSFMUNFVIG-KRWDZBQOSA-N 2 1 316.836 2.916 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000261988304 146317630 /nfs/dbraw/zinc/31/76/30/146317630.db2.gz SQHNNTJYZNIJHP-MRXNPFEDSA-N 2 1 306.450 2.786 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1 ZINC000261988304 146317632 /nfs/dbraw/zinc/31/76/32/146317632.db2.gz SQHNNTJYZNIJHP-MRXNPFEDSA-N 2 1 306.450 2.786 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c1)O[C@@H](C)C2 ZINC000262010727 146322143 /nfs/dbraw/zinc/32/21/43/146322143.db2.gz MFAPIACHISODNN-AWEZNQCLSA-N 2 1 316.445 2.594 20 0 DFADMP CCOc1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000262016034 146322297 /nfs/dbraw/zinc/32/22/97/146322297.db2.gz XBVLWKJSXHBHSS-CYBMUJFWSA-N 2 1 314.376 2.857 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000262016034 146322300 /nfs/dbraw/zinc/32/23/00/146322300.db2.gz XBVLWKJSXHBHSS-CYBMUJFWSA-N 2 1 314.376 2.857 20 0 DFADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@H](C)CN1Cc1ccccc1 ZINC000262014958 146322566 /nfs/dbraw/zinc/32/25/66/146322566.db2.gz VPRKJQXDSGLVAM-IAGOWNOFSA-N 2 1 301.478 2.581 20 0 DFADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262047248 146327375 /nfs/dbraw/zinc/32/73/75/146327375.db2.gz ZGDPITGDDUQNKN-ARFHVFGLSA-N 2 1 324.852 2.595 20 0 DFADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262047250 146327586 /nfs/dbraw/zinc/32/75/86/146327586.db2.gz ZGDPITGDDUQNKN-BZUAXINKSA-N 2 1 324.852 2.595 20 0 DFADMP Clc1oc2ccccc2c1C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000262066553 146329885 /nfs/dbraw/zinc/32/98/85/146329885.db2.gz BGBPDOGNZNBMOF-ZDUSSCGKSA-N 2 1 319.836 2.566 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000262086907 146332062 /nfs/dbraw/zinc/33/20/62/146332062.db2.gz GGFFOHCFJAJULH-GFCCVEGCSA-N 2 1 320.387 2.710 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262372768 146354834 /nfs/dbraw/zinc/35/48/34/146354834.db2.gz XPWXSDYHXDHGJM-CFVMTHIKSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262372768 146354835 /nfs/dbraw/zinc/35/48/35/146354835.db2.gz XPWXSDYHXDHGJM-CFVMTHIKSA-N 2 1 321.852 2.646 20 0 DFADMP CCCOc1ccc(OCC[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1 ZINC000262531334 146367772 /nfs/dbraw/zinc/36/77/72/146367772.db2.gz PQHDEYBISSXBNX-INIZCTEOSA-N 2 1 306.450 2.928 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262635837 146379609 /nfs/dbraw/zinc/37/96/09/146379609.db2.gz HYDYWGQWIDUIJP-OOKSDGMUSA-N 2 1 321.509 2.678 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000262710873 146384226 /nfs/dbraw/zinc/38/42/26/146384226.db2.gz QLDJYTXYFFMQJZ-RYRKJORJSA-N 2 1 309.498 2.617 20 0 DFADMP Cc1ccc(CCC[NH2+]C2CC[NH+](CCOC(C)C)CC2)cn1 ZINC000354402671 147024111 /nfs/dbraw/zinc/02/41/11/147024111.db2.gz HZBRVBHVBUBVNX-UHFFFAOYSA-N 2 1 319.493 2.802 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@H]2CF)CC1 ZINC000354520865 147065201 /nfs/dbraw/zinc/06/52/01/147065201.db2.gz LHBRARCLJOWASQ-KRWDZBQOSA-N 2 1 305.441 2.762 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccnn1-c1ccc(F)cc1 ZINC000354549418 147075466 /nfs/dbraw/zinc/07/54/66/147075466.db2.gz ODWKQSKMFXRFLF-UHFFFAOYSA-N 2 1 304.413 2.833 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](C)[C@H]2CCC[NH+](C[C@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673008 147112664 /nfs/dbraw/zinc/11/26/64/147112664.db2.gz NCWOVLSIHJWUCV-UJWQCDCRSA-N 2 1 324.509 2.908 20 0 DFADMP C[C@@H]1CC[C@H](C[NH+](C)[C@H]2CCC[N@H+](C[C@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673008 147112667 /nfs/dbraw/zinc/11/26/67/147112667.db2.gz NCWOVLSIHJWUCV-UJWQCDCRSA-N 2 1 324.509 2.908 20 0 DFADMP C[C@@H]1CC[C@H](C[NH+](C)[C@H]2CCC[N@@H+](C[C@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673008 147112670 /nfs/dbraw/zinc/11/26/70/147112670.db2.gz NCWOVLSIHJWUCV-UJWQCDCRSA-N 2 1 324.509 2.908 20 0 DFADMP C[C@@H]1CC[C@H](C[NH+]2CCC[C@H]([N@H+](C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673011 147112932 /nfs/dbraw/zinc/11/29/32/147112932.db2.gz NCWOVLSIHJWUCV-ZSXDVEMLSA-N 2 1 324.509 2.908 20 0 DFADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH+](C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673011 147112936 /nfs/dbraw/zinc/11/29/36/147112936.db2.gz NCWOVLSIHJWUCV-ZSXDVEMLSA-N 2 1 324.509 2.908 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH+](C)C[C@@H]3CC[C@@H](C)O3)CC2)O1 ZINC000354673011 147112940 /nfs/dbraw/zinc/11/29/40/147112940.db2.gz NCWOVLSIHJWUCV-ZSXDVEMLSA-N 2 1 324.509 2.908 20 0 DFADMP Cc1cnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000354873902 147186516 /nfs/dbraw/zinc/18/65/16/147186516.db2.gz AZUYFDFYOHFGJR-UHFFFAOYSA-N 2 1 311.433 2.528 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354924283 147197250 /nfs/dbraw/zinc/19/72/50/147197250.db2.gz WOPWNEKLDWXGSZ-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP CC[NH+](CC)[C@H](C)CNCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000355282954 147251058 /nfs/dbraw/zinc/25/10/58/147251058.db2.gz BDHBSQWXWZBIAK-CQSZACIVSA-N 2 1 324.538 2.730 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000355330369 147268120 /nfs/dbraw/zinc/26/81/20/147268120.db2.gz CDWZDOMAAYIIQY-ZHALLVOQSA-N 2 1 303.494 2.827 20 0 DFADMP Cc1cc(NC[C@@H](c2ccc(Cl)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000531334737 543434703 /nfs/dbraw/zinc/43/47/03/543434703.db2.gz PAAOBZQGGAZMDE-HNNXBMFYSA-N 2 1 304.825 2.884 20 0 DFADMP C[C@@H](C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000533878502 543436493 /nfs/dbraw/zinc/43/64/93/543436493.db2.gz IWKKSGXPCXUNRD-KRXQYRFLSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@@H](C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000533878502 543436495 /nfs/dbraw/zinc/43/64/95/543436495.db2.gz IWKKSGXPCXUNRD-KRXQYRFLSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[NH+]1[C@H](C)CC[C@@H]1C ZINC000533878502 543436497 /nfs/dbraw/zinc/43/64/97/543436497.db2.gz IWKKSGXPCXUNRD-KRXQYRFLSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1[C@H](C)CC[C@@H]1C ZINC000533878502 543436500 /nfs/dbraw/zinc/43/65/00/543436500.db2.gz IWKKSGXPCXUNRD-KRXQYRFLSA-N 2 1 315.461 2.551 20 0 DFADMP CCC1CCC([N@@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000355447679 147320489 /nfs/dbraw/zinc/32/04/89/147320489.db2.gz ZSJRIASVIHUGEN-UHFFFAOYSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000355562946 147363907 /nfs/dbraw/zinc/36/39/07/147363907.db2.gz GMFOTVSYANEUGQ-GOSISDBHSA-N 2 1 319.493 2.916 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000599072025 543468479 /nfs/dbraw/zinc/46/84/79/543468479.db2.gz WVFJNWYIZFSDTL-ZSDSOXJFSA-N 2 1 308.491 2.807 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000357635816 148065546 /nfs/dbraw/zinc/06/55/46/148065546.db2.gz KCSSPJLOYWXYSE-BEFAXECRSA-N 2 1 302.462 2.841 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C)oc2C)[C@H](C)C1 ZINC000357780498 148118487 /nfs/dbraw/zinc/11/84/87/148118487.db2.gz WJPWMTQJDJQLPW-RHSMWYFYSA-N 2 1 323.481 2.561 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000358002571 148207514 /nfs/dbraw/zinc/20/75/14/148207514.db2.gz GRNTZCUAKWSGDV-WMLDXEAASA-N 2 1 303.450 2.711 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3SC)C2)CC1 ZINC000358064223 148231498 /nfs/dbraw/zinc/23/14/98/148231498.db2.gz LGJNTAGRKPWGJC-KRWDZBQOSA-N 2 1 319.518 2.620 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000358080010 148236866 /nfs/dbraw/zinc/23/68/66/148236866.db2.gz FIOMLEDKUSDJLJ-HZSPNIEDSA-N 2 1 321.852 2.518 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000358080010 148236869 /nfs/dbraw/zinc/23/68/69/148236869.db2.gz FIOMLEDKUSDJLJ-HZSPNIEDSA-N 2 1 321.852 2.518 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000358155766 148263659 /nfs/dbraw/zinc/26/36/59/148263659.db2.gz FUIXVRLVZZQHKM-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccc(F)cc3)s2)C1 ZINC000358155766 148263663 /nfs/dbraw/zinc/26/36/63/148263663.db2.gz FUIXVRLVZZQHKM-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@H](C)C1 ZINC000358168854 148267924 /nfs/dbraw/zinc/26/79/24/148267924.db2.gz OBTFXQPAMJNVRQ-IKGGRYGDSA-N 2 1 314.514 2.510 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC000358228293 148294241 /nfs/dbraw/zinc/29/42/41/148294241.db2.gz FJIIDPYFFYHLNG-UTKZUKDTSA-N 2 1 324.468 2.863 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC000358228293 148294243 /nfs/dbraw/zinc/29/42/43/148294243.db2.gz FJIIDPYFFYHLNG-UTKZUKDTSA-N 2 1 324.468 2.863 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000358236647 148297430 /nfs/dbraw/zinc/29/74/30/148297430.db2.gz ASMHFKQMAMCJHW-RXQRSOPUSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000358236647 148297432 /nfs/dbraw/zinc/29/74/32/148297432.db2.gz ASMHFKQMAMCJHW-RXQRSOPUSA-N 2 1 302.462 2.790 20 0 DFADMP Cn1cc(-c2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cn1 ZINC000358238240 148298658 /nfs/dbraw/zinc/29/86/58/148298658.db2.gz FBZPDZPDDUAFOT-MOPGFXCFSA-N 2 1 310.445 2.804 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)CCC2 ZINC000358251558 148303696 /nfs/dbraw/zinc/30/36/96/148303696.db2.gz KRLXCTWLCMVXBS-MOPGFXCFSA-N 2 1 302.462 2.844 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000358251558 148303699 /nfs/dbraw/zinc/30/36/99/148303699.db2.gz KRLXCTWLCMVXBS-MOPGFXCFSA-N 2 1 302.462 2.844 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC000358254479 148305842 /nfs/dbraw/zinc/30/58/42/148305842.db2.gz PTBMOEPIPJAGIB-CTWPCTMYSA-N 2 1 302.462 2.543 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC000358254479 148305845 /nfs/dbraw/zinc/30/58/45/148305845.db2.gz PTBMOEPIPJAGIB-CTWPCTMYSA-N 2 1 302.462 2.543 20 0 DFADMP COc1ccc2cc([C@H](C)[NH2+]C[C@@]3(O)CC[N@H+](C)C3)ccc2c1 ZINC000358254576 148306329 /nfs/dbraw/zinc/30/63/29/148306329.db2.gz QALHMXBUTXWPDE-LIRRHRJNSA-N 2 1 314.429 2.566 20 0 DFADMP COc1ccc2cc([C@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)ccc2c1 ZINC000358254576 148306332 /nfs/dbraw/zinc/30/63/32/148306332.db2.gz QALHMXBUTXWPDE-LIRRHRJNSA-N 2 1 314.429 2.566 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1ccccn1 ZINC000350354560 286030964 /nfs/dbraw/zinc/03/09/64/286030964.db2.gz LPUIUEFIXIQPEY-UHFFFAOYSA-N 2 1 307.401 2.645 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1ccncc1 ZINC000350357743 286031394 /nfs/dbraw/zinc/03/13/94/286031394.db2.gz PVOJNIUOSOGSMV-UHFFFAOYSA-N 2 1 307.401 2.645 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@H]3O)CC2)s1 ZINC000358308817 148323217 /nfs/dbraw/zinc/32/32/17/148323217.db2.gz ZMJRASKQQPKNCC-VBNZEHGJSA-N 2 1 323.506 2.788 20 0 DFADMP COCCCOc1cccc(CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358340392 148335521 /nfs/dbraw/zinc/33/55/21/148335521.db2.gz LASIWPRMPQTBLT-MSOLQXFVSA-N 2 1 318.461 2.818 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358340392 148335525 /nfs/dbraw/zinc/33/55/25/148335525.db2.gz LASIWPRMPQTBLT-MSOLQXFVSA-N 2 1 318.461 2.818 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358340392 148335530 /nfs/dbraw/zinc/33/55/30/148335530.db2.gz LASIWPRMPQTBLT-MSOLQXFVSA-N 2 1 318.461 2.818 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000358352455 148338295 /nfs/dbraw/zinc/33/82/95/148338295.db2.gz JGDZVLGVFVVAFT-IDCJVQTKSA-N 2 1 315.461 2.803 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c2ccccc21 ZINC000358352460 148339011 /nfs/dbraw/zinc/33/90/11/148339011.db2.gz JGDZVLGVFVVAFT-KJWYOANISA-N 2 1 315.461 2.803 20 0 DFADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1)OCCO2 ZINC000359213038 148600312 /nfs/dbraw/zinc/60/03/12/148600312.db2.gz OIPCYMJLXRSEIY-QGZVFWFLSA-N 2 1 316.445 2.984 20 0 DFADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350556398 286057903 /nfs/dbraw/zinc/05/79/03/286057903.db2.gz LXKNRFXLHOEYIU-PKOBYXMFSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c(C)c1 ZINC000660448491 543527048 /nfs/dbraw/zinc/52/70/48/543527048.db2.gz ORENSDFSKQOPTH-ROUUACIJSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1ccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c(C)c1 ZINC000660448491 543527051 /nfs/dbraw/zinc/52/70/51/543527051.db2.gz ORENSDFSKQOPTH-ROUUACIJSA-N 2 1 304.478 2.794 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360984538 149000167 /nfs/dbraw/zinc/00/01/67/149000167.db2.gz RKZLPMXVBQGGSS-CYBMUJFWSA-N 2 1 314.424 2.959 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2cccc(NCc3cn4ccccc4n3)c2)C1 ZINC000361044067 149016505 /nfs/dbraw/zinc/01/65/05/149016505.db2.gz JRKGNSNKIGIVLZ-GOSISDBHSA-N 2 1 322.412 2.513 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cncnc1 ZINC000361153394 149040674 /nfs/dbraw/zinc/04/06/74/149040674.db2.gz IUGVPBISVALSHR-QFBILLFUSA-N 2 1 310.445 2.819 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000662271410 543535028 /nfs/dbraw/zinc/53/50/28/543535028.db2.gz FSEQBCCUBFCSON-NSHDSACASA-N 2 1 302.340 2.988 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC[C@H]2CCCO2)CC1 ZINC000361331085 149087862 /nfs/dbraw/zinc/08/78/62/149087862.db2.gz LMUYKBUJIDIVDA-SJLPKXTDSA-N 2 1 310.482 2.521 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361334266 149087994 /nfs/dbraw/zinc/08/79/94/149087994.db2.gz FWTMXNWZZWZHFH-MXSMSXNCSA-N 2 1 322.518 2.742 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361334266 149087995 /nfs/dbraw/zinc/08/79/95/149087995.db2.gz FWTMXNWZZWZHFH-MXSMSXNCSA-N 2 1 322.518 2.742 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C)[C@H](C)C1 ZINC000361511006 149135649 /nfs/dbraw/zinc/13/56/49/149135649.db2.gz NTGPPBCEPNSRQY-ZACQAIPSSA-N 2 1 314.514 2.510 20 0 DFADMP C[NH+](C)C1(CNC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000361541331 149141699 /nfs/dbraw/zinc/14/16/99/149141699.db2.gz OGHAFOWZSNRYMM-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000361605734 149165075 /nfs/dbraw/zinc/16/50/75/149165075.db2.gz YAWQWKIRQOYYJZ-UHFFFAOYSA-N 2 1 302.466 2.598 20 0 DFADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1CO ZINC000361663886 149185287 /nfs/dbraw/zinc/18/52/87/149185287.db2.gz XWSPYRNGABHFAE-FUHWJXTLSA-N 2 1 304.478 2.705 20 0 DFADMP C[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1CO ZINC000361663886 149185289 /nfs/dbraw/zinc/18/52/89/149185289.db2.gz XWSPYRNGABHFAE-FUHWJXTLSA-N 2 1 304.478 2.705 20 0 DFADMP C[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CO ZINC000361663886 149185291 /nfs/dbraw/zinc/18/52/91/149185291.db2.gz XWSPYRNGABHFAE-FUHWJXTLSA-N 2 1 304.478 2.705 20 0 DFADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361668483 149187762 /nfs/dbraw/zinc/18/77/62/149187762.db2.gz ZVBLLFKXKGDGRO-CVEARBPZSA-N 2 1 320.481 2.632 20 0 DFADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361668483 149187764 /nfs/dbraw/zinc/18/77/64/149187764.db2.gz ZVBLLFKXKGDGRO-CVEARBPZSA-N 2 1 320.481 2.632 20 0 DFADMP Cc1csc(N2CCC[N@@H+](CCCn3ccnc3C)CC2)n1 ZINC000361767188 149214121 /nfs/dbraw/zinc/21/41/21/149214121.db2.gz LYJQUFFEWJJQQD-UHFFFAOYSA-N 2 1 319.478 2.559 20 0 DFADMP Cc1csc(N2CCC[N@@H+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000361767188 149214126 /nfs/dbraw/zinc/21/41/26/149214126.db2.gz LYJQUFFEWJJQQD-UHFFFAOYSA-N 2 1 319.478 2.559 20 0 DFADMP C[C@H](CCc1ccccc1)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000361802284 149224468 /nfs/dbraw/zinc/22/44/68/149224468.db2.gz YTVCZYLXYQVADG-QGZVFWFLSA-N 2 1 304.478 2.692 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000361983839 149270945 /nfs/dbraw/zinc/27/09/45/149270945.db2.gz QIKZKCBZAISHBG-KBAYOESNSA-N 2 1 318.461 2.593 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000361983839 149270947 /nfs/dbraw/zinc/27/09/47/149270947.db2.gz QIKZKCBZAISHBG-KBAYOESNSA-N 2 1 318.461 2.593 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000351051080 286106500 /nfs/dbraw/zinc/10/65/00/286106500.db2.gz DHUVUOCWCGKETJ-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000351051080 286106503 /nfs/dbraw/zinc/10/65/03/286106503.db2.gz DHUVUOCWCGKETJ-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000351051080 286106504 /nfs/dbraw/zinc/10/65/04/286106504.db2.gz DHUVUOCWCGKETJ-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2ccc[nH]2)CC1 ZINC000351270183 286119442 /nfs/dbraw/zinc/11/94/42/286119442.db2.gz NMEXXDMCUPALIM-GOSISDBHSA-N 2 1 304.482 2.568 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000351336751 286121910 /nfs/dbraw/zinc/12/19/10/286121910.db2.gz ZYFTUWJKBKCEMA-HKUYNNGSSA-N 2 1 324.509 2.911 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@H]12 ZINC000351472246 286128531 /nfs/dbraw/zinc/12/85/31/286128531.db2.gz AHTUXBPBOLYIDR-AEGPPILISA-N 2 1 314.351 2.797 20 0 DFADMP CC(C)C[N@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351475844 286129416 /nfs/dbraw/zinc/12/94/16/286129416.db2.gz JPBBQKARNLYMCJ-LJQANCHMSA-N 2 1 304.478 2.642 20 0 DFADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351475844 286129417 /nfs/dbraw/zinc/12/94/17/286129417.db2.gz JPBBQKARNLYMCJ-LJQANCHMSA-N 2 1 304.478 2.642 20 0 DFADMP CC(C)C[NH+](CCc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351475844 286129420 /nfs/dbraw/zinc/12/94/20/286129420.db2.gz JPBBQKARNLYMCJ-LJQANCHMSA-N 2 1 304.478 2.642 20 0 DFADMP CC(C)C[NH+](CCc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351475844 286129422 /nfs/dbraw/zinc/12/94/22/286129422.db2.gz JPBBQKARNLYMCJ-LJQANCHMSA-N 2 1 304.478 2.642 20 0 DFADMP Cc1sccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000351477082 286129918 /nfs/dbraw/zinc/12/99/18/286129918.db2.gz OXLACKMDHPPMSN-KRWDZBQOSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1sccc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000351477082 286129921 /nfs/dbraw/zinc/12/99/21/286129921.db2.gz OXLACKMDHPPMSN-KRWDZBQOSA-N 2 1 307.507 2.658 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351477994 286130329 /nfs/dbraw/zinc/13/03/29/286130329.db2.gz OINGVJIKHORXHX-SIUPPRGNSA-N 2 1 323.440 2.836 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351477994 286130331 /nfs/dbraw/zinc/13/03/31/286130331.db2.gz OINGVJIKHORXHX-SIUPPRGNSA-N 2 1 323.440 2.836 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000369140648 149744751 /nfs/dbraw/zinc/74/47/51/149744751.db2.gz UNTRUKVRQDGYGJ-AEFFLSMTSA-N 2 1 302.462 2.913 20 0 DFADMP COc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000351494134 286135107 /nfs/dbraw/zinc/13/51/07/286135107.db2.gz NLQSHABKRDFJLR-NUEKZKHPSA-N 2 1 313.401 2.519 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000351494134 286135108 /nfs/dbraw/zinc/13/51/08/286135108.db2.gz NLQSHABKRDFJLR-NUEKZKHPSA-N 2 1 313.401 2.519 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351510959 286140099 /nfs/dbraw/zinc/14/00/99/286140099.db2.gz AXRAJQBBWQMDQD-XYPHTWIQSA-N 2 1 306.450 2.816 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351510959 286140100 /nfs/dbraw/zinc/14/01/00/286140100.db2.gz AXRAJQBBWQMDQD-XYPHTWIQSA-N 2 1 306.450 2.816 20 0 DFADMP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000351539565 286147536 /nfs/dbraw/zinc/14/75/36/286147536.db2.gz UPZGAEJTPQOORO-RTBURBONSA-N 2 1 304.478 2.991 20 0 DFADMP CCc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000351539565 286147539 /nfs/dbraw/zinc/14/75/39/286147539.db2.gz UPZGAEJTPQOORO-RTBURBONSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000371205371 150001839 /nfs/dbraw/zinc/00/18/39/150001839.db2.gz RDTIGKQJTASABD-QGZVFWFLSA-N 2 1 313.449 2.719 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000371205371 150001841 /nfs/dbraw/zinc/00/18/41/150001841.db2.gz RDTIGKQJTASABD-QGZVFWFLSA-N 2 1 313.449 2.719 20 0 DFADMP CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371291913 150017023 /nfs/dbraw/zinc/01/70/23/150017023.db2.gz AHCWIRTZBYFTNS-ZHALLVOQSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371291913 150017025 /nfs/dbraw/zinc/01/70/25/150017025.db2.gz AHCWIRTZBYFTNS-ZHALLVOQSA-N 2 1 318.461 2.769 20 0 DFADMP Cn1cc(CN2CCC[C@@H]([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000371364102 150031837 /nfs/dbraw/zinc/03/18/37/150031837.db2.gz KSNNTKMFAVLBTE-LJQANCHMSA-N 2 1 312.461 2.907 20 0 DFADMP COc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c(OC)c1 ZINC000371402775 150040048 /nfs/dbraw/zinc/04/00/48/150040048.db2.gz BFZVWJFQTXUKCX-NJAFHUGGSA-N 2 1 316.445 2.620 20 0 DFADMP CCOC(=O)CCCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371418647 150044346 /nfs/dbraw/zinc/04/43/46/150044346.db2.gz PPLGCBMCFDXAMT-INIZCTEOSA-N 2 1 322.493 2.916 20 0 DFADMP CCC[C@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+](C)C ZINC000371550627 150063724 /nfs/dbraw/zinc/06/37/24/150063724.db2.gz CJFXPWQCEUNRHH-QGZVFWFLSA-N 2 1 301.434 2.833 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571688 286157261 /nfs/dbraw/zinc/15/72/61/286157261.db2.gz AVKXVJIWHPXFJX-MOPGFXCFSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571688 286157262 /nfs/dbraw/zinc/15/72/62/286157262.db2.gz AVKXVJIWHPXFJX-MOPGFXCFSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371692251 150081603 /nfs/dbraw/zinc/08/16/03/150081603.db2.gz HIJFZPKWCBJRKZ-CQSZACIVSA-N 2 1 323.431 2.565 20 0 DFADMP C[C@@H]1CN(Cc2ccc(F)c(F)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000371692251 150081604 /nfs/dbraw/zinc/08/16/04/150081604.db2.gz HIJFZPKWCBJRKZ-CQSZACIVSA-N 2 1 323.431 2.565 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)CCCC2 ZINC000351573087 286157615 /nfs/dbraw/zinc/15/76/15/286157615.db2.gz HAAVWTPWBBPNFK-KUHUBIRLSA-N 2 1 302.462 2.671 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc2c(c1)CCCC2 ZINC000351573087 286157617 /nfs/dbraw/zinc/15/76/17/286157617.db2.gz HAAVWTPWBBPNFK-KUHUBIRLSA-N 2 1 302.462 2.671 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351575689 286158261 /nfs/dbraw/zinc/15/82/61/286158261.db2.gz SXOUFKVYVZCREC-HNAYVOBHSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351575689 286158263 /nfs/dbraw/zinc/15/82/63/286158263.db2.gz SXOUFKVYVZCREC-HNAYVOBHSA-N 2 1 304.478 2.991 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372047999 150129883 /nfs/dbraw/zinc/12/98/83/150129883.db2.gz WGLSTDNYGRUNSL-BSDSXHPESA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000372047999 150129885 /nfs/dbraw/zinc/12/98/85/150129885.db2.gz WGLSTDNYGRUNSL-BSDSXHPESA-N 2 1 312.498 2.671 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372098238 150136948 /nfs/dbraw/zinc/13/69/48/150136948.db2.gz HXPZTXPAAJOXBR-PBHICJAKSA-N 2 1 323.506 2.766 20 0 DFADMP Cc1cnn(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000372253913 150154082 /nfs/dbraw/zinc/15/40/82/150154082.db2.gz BZKNYZRXBMUZEO-UHFFFAOYSA-N 2 1 301.438 2.814 20 0 DFADMP Cc1nnc([C@@H]2CC23CC[NH+](CCC[NH+]2CCCCC2)CC3)o1 ZINC000372460844 150175545 /nfs/dbraw/zinc/17/55/45/150175545.db2.gz VKERAQRRVMKUJM-INIZCTEOSA-N 2 1 318.465 2.824 20 0 DFADMP CCCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](C)c1ccccc1 ZINC000351604720 286166895 /nfs/dbraw/zinc/16/68/95/286166895.db2.gz VLUOREBBDYUZLZ-QGZVFWFLSA-N 2 1 317.477 2.672 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000351604925 286166983 /nfs/dbraw/zinc/16/69/83/286166983.db2.gz GEXPZBNGFKYHLY-QFBILLFUSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000351604925 286166985 /nfs/dbraw/zinc/16/69/85/286166985.db2.gz GEXPZBNGFKYHLY-QFBILLFUSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000351604925 286166986 /nfs/dbraw/zinc/16/69/86/286166986.db2.gz GEXPZBNGFKYHLY-QFBILLFUSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000351604925 286166989 /nfs/dbraw/zinc/16/69/89/286166989.db2.gz GEXPZBNGFKYHLY-QFBILLFUSA-N 2 1 302.462 2.548 20 0 DFADMP CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1CCC[NH+](CC)CC ZINC000372947133 150206300 /nfs/dbraw/zinc/20/63/00/150206300.db2.gz JHHKRFGLANIGBT-IRXDYDNUSA-N 2 1 309.498 2.584 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1)C1CC1 ZINC000351610208 286168767 /nfs/dbraw/zinc/16/87/67/286168767.db2.gz NOGWVUNEYKBNQE-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1)C1CC1 ZINC000351610208 286168768 /nfs/dbraw/zinc/16/87/68/286168768.db2.gz NOGWVUNEYKBNQE-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1)C1CC1 ZINC000351610208 286168769 /nfs/dbraw/zinc/16/87/69/286168769.db2.gz NOGWVUNEYKBNQE-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1)C1CC1 ZINC000351610208 286168772 /nfs/dbraw/zinc/16/87/72/286168772.db2.gz NOGWVUNEYKBNQE-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)C2 ZINC000373182837 150242558 /nfs/dbraw/zinc/24/25/58/150242558.db2.gz MCRXJVCJYDYLGO-XTOXLMAPSA-N 3 1 319.518 2.956 20 0 DFADMP C[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1cccs1 ZINC000373182837 150242562 /nfs/dbraw/zinc/24/25/62/150242562.db2.gz MCRXJVCJYDYLGO-XTOXLMAPSA-N 2 1 319.518 2.956 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCc3ccncc3)C1)CCCC2 ZINC000351631438 286175779 /nfs/dbraw/zinc/17/57/79/286175779.db2.gz UASPRLALWDRQSI-KRWDZBQOSA-N 2 1 310.445 2.955 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCc3ccncc3)C1)CCCC2 ZINC000351631438 286175781 /nfs/dbraw/zinc/17/57/81/286175781.db2.gz UASPRLALWDRQSI-KRWDZBQOSA-N 2 1 310.445 2.955 20 0 DFADMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000373903157 150274840 /nfs/dbraw/zinc/27/48/40/150274840.db2.gz JZYQHTAIFLMCJP-TVPLGVNVSA-N 2 1 321.509 2.820 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000374303920 150340335 /nfs/dbraw/zinc/34/03/35/150340335.db2.gz VWINDMXUABAZNN-AEFFLSMTSA-N 2 1 317.477 2.544 20 0 DFADMP O[C@@]1(c2ccccc2)CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000375085966 150399437 /nfs/dbraw/zinc/39/94/37/150399437.db2.gz XCPATAVNCIYZIE-IBGZPJMESA-N 2 1 302.462 2.846 20 0 DFADMP C[N@H+](C[C@H](O)CNC1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000351719723 286202016 /nfs/dbraw/zinc/20/20/16/286202016.db2.gz SGYDUMIPGVOCGE-QGZVFWFLSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@@H+](C[C@H](O)CNC1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000351719723 286202018 /nfs/dbraw/zinc/20/20/18/286202018.db2.gz SGYDUMIPGVOCGE-QGZVFWFLSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000351719723 286202019 /nfs/dbraw/zinc/20/20/19/286202019.db2.gz SGYDUMIPGVOCGE-QGZVFWFLSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000351719723 286202020 /nfs/dbraw/zinc/20/20/20/286202020.db2.gz SGYDUMIPGVOCGE-QGZVFWFLSA-N 2 1 306.425 2.640 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC(OCC)C2)[C@@H](C)C1 ZINC000351821222 286226361 /nfs/dbraw/zinc/22/63/61/286226361.db2.gz GYZZHLDDPUOLLH-FCCDEINASA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000351857234 286233247 /nfs/dbraw/zinc/23/32/47/286233247.db2.gz XBKBZIKDTOHWOH-AAEUAGOBSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862784 286233946 /nfs/dbraw/zinc/23/39/46/286233946.db2.gz QOHSWLBWQQXNEN-NWDGAFQWSA-N 2 1 318.339 2.633 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862783 286233984 /nfs/dbraw/zinc/23/39/84/286233984.db2.gz QOHSWLBWQQXNEN-NEPJUHHUSA-N 2 1 318.339 2.633 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[N@@H+]1C ZINC000352015166 286270354 /nfs/dbraw/zinc/27/03/54/286270354.db2.gz PHGLKIDOIXEIKT-AAEUAGOBSA-N 2 1 312.360 2.923 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[N@H+]1C ZINC000352015166 286270355 /nfs/dbraw/zinc/27/03/55/286270355.db2.gz PHGLKIDOIXEIKT-AAEUAGOBSA-N 2 1 312.360 2.923 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[NH+]1C ZINC000352015166 286270356 /nfs/dbraw/zinc/27/03/56/286270356.db2.gz PHGLKIDOIXEIKT-AAEUAGOBSA-N 2 1 312.360 2.923 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[NH+]1C ZINC000352015166 286270360 /nfs/dbraw/zinc/27/03/60/286270360.db2.gz PHGLKIDOIXEIKT-AAEUAGOBSA-N 2 1 312.360 2.923 20 0 DFADMP C[C@@H]1CCC[C@](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000352215471 286319945 /nfs/dbraw/zinc/31/99/45/286319945.db2.gz DUXYFLDPZVHVKI-AOIWGVFYSA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352219994 286321425 /nfs/dbraw/zinc/32/14/25/286321425.db2.gz UNZNVJSNECBFTA-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+](C)Cc1cnc(CNC2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000352247406 286328247 /nfs/dbraw/zinc/32/82/47/286328247.db2.gz YESUCEBQXYKGSG-UHFFFAOYSA-N 2 1 310.511 2.604 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H](C)COC)CC1 ZINC000352311770 286342001 /nfs/dbraw/zinc/34/20/01/286342001.db2.gz ZADAHFKDXAUKHD-QGZVFWFLSA-N 2 1 319.493 2.685 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000352342334 286348408 /nfs/dbraw/zinc/34/84/08/286348408.db2.gz RFEARMDMCDQAGP-KRWDZBQOSA-N 2 1 301.434 2.931 20 0 DFADMP CCC[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000352487753 286386268 /nfs/dbraw/zinc/38/62/68/286386268.db2.gz IRUDWJVVZAYIND-ROUUACIJSA-N 2 1 317.477 2.847 20 0 DFADMP CCC[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1 ZINC000352487753 286386269 /nfs/dbraw/zinc/38/62/69/286386269.db2.gz IRUDWJVVZAYIND-ROUUACIJSA-N 2 1 317.477 2.847 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352519742 286396229 /nfs/dbraw/zinc/39/62/29/286396229.db2.gz RJCLQVXKSKETOW-UHFFFAOYSA-N 2 1 300.450 2.914 20 0 DFADMP Cn1c2ccccc2nc1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352519742 286396231 /nfs/dbraw/zinc/39/62/31/286396231.db2.gz RJCLQVXKSKETOW-UHFFFAOYSA-N 2 1 300.450 2.914 20 0 DFADMP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000352520113 286396552 /nfs/dbraw/zinc/39/65/52/286396552.db2.gz VIRZVUCASJRWJW-SJLPKXTDSA-N 2 1 317.477 2.684 20 0 DFADMP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000352520113 286396554 /nfs/dbraw/zinc/39/65/54/286396554.db2.gz VIRZVUCASJRWJW-SJLPKXTDSA-N 2 1 317.477 2.684 20 0 DFADMP Cc1cc2cc(C[NH+]3CCN([C@H]4CC[NH2+]C4)CC3)oc2cc1C ZINC000352720521 286450865 /nfs/dbraw/zinc/45/08/65/286450865.db2.gz OUOREZQBQPNGBV-KRWDZBQOSA-N 2 1 313.445 2.529 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)s1 ZINC000352735880 286454422 /nfs/dbraw/zinc/45/44/22/286454422.db2.gz JCXKGOFQWHBJMU-GXTWGEPZSA-N 2 1 311.495 2.888 20 0 DFADMP COCCC[C@@H](C)[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000361213723 292377457 /nfs/dbraw/zinc/37/74/57/292377457.db2.gz ASIFZZXYCBAOAV-MRXNPFEDSA-N 2 1 312.498 2.815 20 0 DFADMP Cc1cccc(N2CCC([NH2+]Cc3cc(O)cc(F)c3)CC2)[nH+]1 ZINC000185541660 158063102 /nfs/dbraw/zinc/06/31/02/158063102.db2.gz KRXBYJYAFAFFKO-UHFFFAOYSA-N 2 1 315.392 2.993 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245800407 158080731 /nfs/dbraw/zinc/08/07/31/158080731.db2.gz XSNPASFQBZFCND-KSSFIOAISA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245800407 158080733 /nfs/dbraw/zinc/08/07/33/158080733.db2.gz XSNPASFQBZFCND-KSSFIOAISA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245800407 158080738 /nfs/dbraw/zinc/08/07/38/158080738.db2.gz XSNPASFQBZFCND-KSSFIOAISA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245800407 158080739 /nfs/dbraw/zinc/08/07/39/158080739.db2.gz XSNPASFQBZFCND-KSSFIOAISA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000246806354 158098810 /nfs/dbraw/zinc/09/88/10/158098810.db2.gz BLJJSPORPVFCQY-HOCLYGCPSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000246806354 158098813 /nfs/dbraw/zinc/09/88/13/158098813.db2.gz BLJJSPORPVFCQY-HOCLYGCPSA-N 2 1 306.450 2.914 20 0 DFADMP O=C1OCC[C@@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000246932528 158107430 /nfs/dbraw/zinc/10/74/30/158107430.db2.gz MSOPJPBMMRXNIA-SJORKVTESA-N 2 1 308.466 2.528 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H](C)C1 ZINC000246961883 158108710 /nfs/dbraw/zinc/10/87/10/158108710.db2.gz IPJLUASVDXBBGW-LPHOPBHVSA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)C1 ZINC000247025053 158113537 /nfs/dbraw/zinc/11/35/37/158113537.db2.gz PKXHOLKDMFCHDO-WMLDXEAASA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)C1 ZINC000247025053 158113539 /nfs/dbraw/zinc/11/35/39/158113539.db2.gz PKXHOLKDMFCHDO-WMLDXEAASA-N 2 1 316.424 2.831 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000247023199 158114053 /nfs/dbraw/zinc/11/40/53/158114053.db2.gz NCTIZUSWRQWTFO-ARFHVFGLSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000247023199 158114055 /nfs/dbraw/zinc/11/40/55/158114055.db2.gz NCTIZUSWRQWTFO-ARFHVFGLSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000247053035 158116984 /nfs/dbraw/zinc/11/69/84/158116984.db2.gz MGDYBTIUQDTRLP-KBMXLJTQSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000247053035 158116987 /nfs/dbraw/zinc/11/69/87/158116987.db2.gz MGDYBTIUQDTRLP-KBMXLJTQSA-N 2 1 307.869 2.991 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000247185060 158122190 /nfs/dbraw/zinc/12/21/90/158122190.db2.gz ZLDXVJFBGIPANL-UXLLHSPISA-N 2 1 321.534 2.815 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3sccc3C2)[C@@H](C)C1 ZINC000247185083 158122501 /nfs/dbraw/zinc/12/25/01/158122501.db2.gz ZLDXVJFBGIPANL-ZOBUZTSGSA-N 2 1 321.534 2.815 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@@H](C)CN2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000247234946 158124439 /nfs/dbraw/zinc/12/44/39/158124439.db2.gz YAKPMBPDKYZSTP-KFGODFMUSA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](C)CN2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000247234946 158124441 /nfs/dbraw/zinc/12/44/41/158124441.db2.gz YAKPMBPDKYZSTP-KFGODFMUSA-N 2 1 312.498 2.621 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000248006660 158156788 /nfs/dbraw/zinc/15/67/88/158156788.db2.gz KVHWBBYWNGAGAV-LPHOPBHVSA-N 2 1 318.461 2.509 20 0 DFADMP c1cnn(CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000247998901 158156806 /nfs/dbraw/zinc/15/68/06/158156806.db2.gz KEKAFVUQLOYRCX-WOJBJXKFSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000247998901 158156808 /nfs/dbraw/zinc/15/68/08/158156808.db2.gz KEKAFVUQLOYRCX-WOJBJXKFSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000247998901 158156810 /nfs/dbraw/zinc/15/68/10/158156810.db2.gz KEKAFVUQLOYRCX-WOJBJXKFSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000247998901 158156811 /nfs/dbraw/zinc/15/68/11/158156811.db2.gz KEKAFVUQLOYRCX-WOJBJXKFSA-N 2 1 324.472 2.870 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000248031284 158157145 /nfs/dbraw/zinc/15/71/45/158157145.db2.gz QMLLMNWKHNCOEB-BZUAXINKSA-N 2 1 307.507 2.957 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000248216308 158165703 /nfs/dbraw/zinc/16/57/03/158165703.db2.gz ZSCLKWXOCASEDH-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000248216308 158165704 /nfs/dbraw/zinc/16/57/04/158165704.db2.gz ZSCLKWXOCASEDH-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000248216308 158165709 /nfs/dbraw/zinc/16/57/09/158165709.db2.gz ZSCLKWXOCASEDH-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000248216308 158165712 /nfs/dbraw/zinc/16/57/12/158165712.db2.gz ZSCLKWXOCASEDH-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401655 158172669 /nfs/dbraw/zinc/17/26/69/158172669.db2.gz MELWRVODBQREHZ-IKGGRYGDSA-N 2 1 304.482 2.904 20 0 DFADMP CCOC(CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OCC ZINC000248395846 158172872 /nfs/dbraw/zinc/17/28/72/158172872.db2.gz JPEZKMPZJLHQLA-IAGOWNOFSA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)OCC ZINC000248395846 158172875 /nfs/dbraw/zinc/17/28/75/158172875.db2.gz JPEZKMPZJLHQLA-IAGOWNOFSA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)OCC ZINC000248395846 158172876 /nfs/dbraw/zinc/17/28/76/158172876.db2.gz JPEZKMPZJLHQLA-IAGOWNOFSA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)OCC ZINC000248395846 158172879 /nfs/dbraw/zinc/17/28/79/158172879.db2.gz JPEZKMPZJLHQLA-IAGOWNOFSA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)OCC ZINC000248395846 158172882 /nfs/dbraw/zinc/17/28/82/158172882.db2.gz JPEZKMPZJLHQLA-IAGOWNOFSA-N 2 1 312.498 2.972 20 0 DFADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000248443782 158176301 /nfs/dbraw/zinc/17/63/01/158176301.db2.gz BHMOUDWRJXTHCV-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(CCC(=O)c3ccc(F)cc3F)CC[C@H]21 ZINC000248552257 158183614 /nfs/dbraw/zinc/18/36/14/158183614.db2.gz JAYLGXRVFHCMMH-CXAGYDPISA-N 2 1 322.399 2.954 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248583122 158185837 /nfs/dbraw/zinc/18/58/37/158185837.db2.gz WOBKMHWOVIVDIS-LASHMREHSA-N 2 1 314.473 2.790 20 0 DFADMP OCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248819657 158203250 /nfs/dbraw/zinc/20/32/50/158203250.db2.gz WIJMHSOQMFLVGN-CEXWTWQISA-N 2 1 302.462 2.649 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000355152307 158285945 /nfs/dbraw/zinc/28/59/45/158285945.db2.gz RLZQDLKDTASJCJ-QZTJIDSGSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000355152307 158285946 /nfs/dbraw/zinc/28/59/46/158285946.db2.gz RLZQDLKDTASJCJ-QZTJIDSGSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000355152307 158285947 /nfs/dbraw/zinc/28/59/47/158285947.db2.gz RLZQDLKDTASJCJ-QZTJIDSGSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355208331 158298328 /nfs/dbraw/zinc/29/83/28/158298328.db2.gz HEXIHYZZYXZQDM-RYQLBKOJSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000355208331 158298330 /nfs/dbraw/zinc/29/83/30/158298330.db2.gz HEXIHYZZYXZQDM-RYQLBKOJSA-N 2 1 306.425 2.818 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356902846 158320786 /nfs/dbraw/zinc/32/07/86/158320786.db2.gz RRSFQARVFRLMRW-CQSZACIVSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356902846 158320789 /nfs/dbraw/zinc/32/07/89/158320789.db2.gz RRSFQARVFRLMRW-CQSZACIVSA-N 2 1 321.431 2.867 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCOC1 ZINC000357027084 158351774 /nfs/dbraw/zinc/35/17/74/158351774.db2.gz SBNKQSNGSCQLHJ-KRWDZBQOSA-N 2 1 303.450 2.656 20 0 DFADMP C[C@@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357040837 158354847 /nfs/dbraw/zinc/35/48/47/158354847.db2.gz OVNAZHATKHMDJL-RZFLPCETSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357040837 158354849 /nfs/dbraw/zinc/35/48/49/158354849.db2.gz OVNAZHATKHMDJL-RZFLPCETSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357040837 158354851 /nfs/dbraw/zinc/35/48/51/158354851.db2.gz OVNAZHATKHMDJL-RZFLPCETSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000357063086 158358676 /nfs/dbraw/zinc/35/86/76/158358676.db2.gz XQLXFUKYWSBGOW-QGZVFWFLSA-N 2 1 309.498 2.633 20 0 DFADMP CCO[C@H](C)c1nc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358506272 158383015 /nfs/dbraw/zinc/38/30/15/158383015.db2.gz LKBFSODFQYWWPC-CYBMUJFWSA-N 2 1 309.479 2.816 20 0 DFADMP CCO[C@H](C)c1nc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000358506272 158383021 /nfs/dbraw/zinc/38/30/21/158383021.db2.gz LKBFSODFQYWWPC-CYBMUJFWSA-N 2 1 309.479 2.816 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000358513031 158384556 /nfs/dbraw/zinc/38/45/56/158384556.db2.gz VDVSELVMWIWNSI-CQSZACIVSA-N 2 1 319.424 2.537 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1 ZINC000430640874 296802040 /nfs/dbraw/zinc/80/20/40/296802040.db2.gz LFAMAAASOSVDQV-UHFFFAOYSA-N 2 1 301.459 2.905 20 0 DFADMP CCn1c(C[NH+]2CCC(C[NH2+]C)CC2)nc2c1cccc2F ZINC000430932024 296813234 /nfs/dbraw/zinc/81/32/34/296813234.db2.gz DDNKXIVUAYTZOM-UHFFFAOYSA-N 2 1 304.413 2.627 20 0 DFADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430947871 296814057 /nfs/dbraw/zinc/81/40/57/296814057.db2.gz CPZAKYROYVRRKN-OLZOCXBDSA-N 2 1 321.490 2.795 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000268924436 287022562 /nfs/dbraw/zinc/02/25/62/287022562.db2.gz PKOLQHYFQUDPNI-UKRRQHHQSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@@H](N[C@@H](C)CC[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012518 287047706 /nfs/dbraw/zinc/04/77/06/287047706.db2.gz NTUHRLLWBFDWLS-JKSUJKDBSA-N 2 1 307.482 2.618 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)CCN(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012518 287047709 /nfs/dbraw/zinc/04/77/09/287047709.db2.gz NTUHRLLWBFDWLS-JKSUJKDBSA-N 2 1 307.482 2.618 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000357794094 287112210 /nfs/dbraw/zinc/11/22/10/287112210.db2.gz DXGBIANAXMKHFW-ZAWLATJESA-N 2 1 304.478 2.546 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000129584368 196059717 /nfs/dbraw/zinc/05/97/17/196059717.db2.gz FYIPUUHHMYPZEL-KLHDSHLOSA-N 2 1 306.450 2.781 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000158945596 287264647 /nfs/dbraw/zinc/26/46/47/287264647.db2.gz SQFUWNIQWKOALR-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2nccn2Cc2ccccc2)CC[N@H+]1C ZINC000132128868 196228457 /nfs/dbraw/zinc/22/84/57/196228457.db2.gz QTDWSMKAISZXJQ-FUHWJXTLSA-N 2 1 312.461 2.546 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2nccn2Cc2ccccc2)CC[N@H+]1C ZINC000132129272 196228665 /nfs/dbraw/zinc/22/86/65/196228665.db2.gz QTDWSMKAISZXJQ-WMZOPIPTSA-N 2 1 312.461 2.546 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)Cc3ccccc3)C2)CC1 ZINC000132314379 196244759 /nfs/dbraw/zinc/24/47/59/196244759.db2.gz AGTOYYZJPPJMLE-AZUAARDMSA-N 2 1 315.505 2.577 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C3CCC3)cnn2C)[C@H](C)C1 ZINC000667666244 543655091 /nfs/dbraw/zinc/65/50/91/543655091.db2.gz GWWCTGABSYJPTK-RHSMWYFYSA-N 2 1 304.482 2.850 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667672061 543657288 /nfs/dbraw/zinc/65/72/88/543657288.db2.gz IZQCOQZULJUINH-UHFFFAOYSA-N 2 1 305.470 2.557 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(C)(C)O)cc2)CCCO1 ZINC000295667341 225105142 /nfs/dbraw/zinc/10/51/42/225105142.db2.gz IVSJFGXLWLUGER-MRXNPFEDSA-N 2 1 320.477 2.505 20 0 DFADMP COCC[C@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667996395 543721108 /nfs/dbraw/zinc/72/11/08/543721108.db2.gz MLNOFLRBGKUNGF-MRXNPFEDSA-N 2 1 314.433 2.906 20 0 DFADMP COCC[C@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667996395 543721109 /nfs/dbraw/zinc/72/11/09/543721109.db2.gz MLNOFLRBGKUNGF-MRXNPFEDSA-N 2 1 314.433 2.906 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000668089955 543736240 /nfs/dbraw/zinc/73/62/40/543736240.db2.gz CHFGVIFFZDXZSV-BHIYHBOVSA-N 2 1 300.446 2.666 20 0 DFADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668100153 543740087 /nfs/dbraw/zinc/74/00/87/543740087.db2.gz DKAMZGHKMCHLQH-LJQANCHMSA-N 2 1 318.461 2.772 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668100153 543740089 /nfs/dbraw/zinc/74/00/89/543740089.db2.gz DKAMZGHKMCHLQH-LJQANCHMSA-N 2 1 318.461 2.772 20 0 DFADMP Cc1[nH+]cc(CN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1C ZINC000668146372 543749911 /nfs/dbraw/zinc/74/99/11/543749911.db2.gz FPYCHYBZZVAXCR-FQEVSTJZSA-N 2 1 324.472 2.827 20 0 DFADMP Cc1[nH+]cc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1C ZINC000668146372 543749914 /nfs/dbraw/zinc/74/99/14/543749914.db2.gz FPYCHYBZZVAXCR-FQEVSTJZSA-N 2 1 324.472 2.827 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccn3cc(C)nc3c2)C[C@@H]1C ZINC000668158628 543753766 /nfs/dbraw/zinc/75/37/66/543753766.db2.gz ZBOVVWKOEQOOCX-UONOGXRCSA-N 2 1 315.421 2.589 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000668167791 543756949 /nfs/dbraw/zinc/75/69/49/543756949.db2.gz FSATYWCDFWSVSN-FUHWJXTLSA-N 2 1 322.497 2.644 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000668172108 543758799 /nfs/dbraw/zinc/75/87/99/543758799.db2.gz DNLKCTSHRZAKFI-JTDSTZFVSA-N 2 1 320.477 2.872 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000668172108 543758810 /nfs/dbraw/zinc/75/88/10/543758810.db2.gz DNLKCTSHRZAKFI-JTDSTZFVSA-N 2 1 320.477 2.872 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000668172108 543758813 /nfs/dbraw/zinc/75/88/13/543758813.db2.gz DNLKCTSHRZAKFI-JTDSTZFVSA-N 2 1 320.477 2.872 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cc2ccncc2s1)CC[NH+](C)C ZINC000668175774 543759979 /nfs/dbraw/zinc/75/99/79/543759979.db2.gz ALWLYMQLHHTHAL-UHFFFAOYSA-N 2 1 320.506 2.612 20 0 DFADMP c1cc(C[N@H+]2CC3(CCOCC3)[C@@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668195479 543764662 /nfs/dbraw/zinc/76/46/62/543764662.db2.gz KHOFPOCLEVBOGM-SFHVURJKSA-N 2 1 324.428 2.658 20 0 DFADMP CC1=CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000668488604 543813982 /nfs/dbraw/zinc/81/39/82/543813982.db2.gz CWEAMHVBNSTGGX-RBUKOAKNSA-N 2 1 300.446 2.842 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@@H+](C)CC2CN(C)C2)ccc1OC ZINC000668539826 543821252 /nfs/dbraw/zinc/82/12/52/543821252.db2.gz NNTGEHRNVISMDV-AWEZNQCLSA-N 2 1 306.450 2.866 20 0 DFADMP CC[C@H](C)Oc1cc(CN(C)CC2C[NH+](C)C2)ccc1OC ZINC000668539826 543821255 /nfs/dbraw/zinc/82/12/55/543821255.db2.gz NNTGEHRNVISMDV-AWEZNQCLSA-N 2 1 306.450 2.866 20 0 DFADMP C[C@H](CCc1ccccc1)C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668739178 543858221 /nfs/dbraw/zinc/85/82/21/543858221.db2.gz KAGBDOGDMKPFCP-YLJYHZDGSA-N 2 1 316.489 2.786 20 0 DFADMP C[C@@H](CCc1ccccc1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668739176 543858334 /nfs/dbraw/zinc/85/83/34/543858334.db2.gz KAGBDOGDMKPFCP-PXNSSMCTSA-N 2 1 316.489 2.786 20 0 DFADMP C[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000668785266 543866849 /nfs/dbraw/zinc/86/68/49/543866849.db2.gz OZGISHTVGQRCAC-MAUKXSAKSA-N 2 1 308.441 2.972 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000668784496 543866881 /nfs/dbraw/zinc/86/68/81/543866881.db2.gz DODIHZMPYLWTLX-KRWDZBQOSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000668784496 543866882 /nfs/dbraw/zinc/86/68/82/543866882.db2.gz DODIHZMPYLWTLX-KRWDZBQOSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2cccc(Cl)c2)CCO1 ZINC000668785802 543867652 /nfs/dbraw/zinc/86/76/52/543867652.db2.gz XRNQKZYHBDFFLJ-QGZVFWFLSA-N 2 1 310.869 2.925 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2cccc(Cl)c2)CCO1 ZINC000668785802 543867654 /nfs/dbraw/zinc/86/76/54/543867654.db2.gz XRNQKZYHBDFFLJ-QGZVFWFLSA-N 2 1 310.869 2.925 20 0 DFADMP COc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000668785877 543867852 /nfs/dbraw/zinc/86/78/52/543867852.db2.gz PWNDWNKJEUMKIW-QGZVFWFLSA-N 2 1 306.450 2.546 20 0 DFADMP COc1ccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000668785877 543867857 /nfs/dbraw/zinc/86/78/57/543867857.db2.gz PWNDWNKJEUMKIW-QGZVFWFLSA-N 2 1 306.450 2.546 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2coc3ccccc23)CCO1 ZINC000668785731 543867921 /nfs/dbraw/zinc/86/79/21/543867921.db2.gz WGAAJTZTWMBGFQ-MRXNPFEDSA-N 2 1 302.418 2.975 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2coc3ccccc23)CCO1 ZINC000668785731 543867925 /nfs/dbraw/zinc/86/79/25/543867925.db2.gz WGAAJTZTWMBGFQ-MRXNPFEDSA-N 2 1 302.418 2.975 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1(C)C ZINC000669618825 543976206 /nfs/dbraw/zinc/97/62/06/543976206.db2.gz BHFCBGOJBFZTHL-KRWDZBQOSA-N 2 1 323.431 2.568 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCCOCC2CC2)cc1 ZINC000671098174 544056176 /nfs/dbraw/zinc/05/61/76/544056176.db2.gz IPWFHBFLPHIITO-YOFSQIOKSA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCCOCC2CC2)cc1 ZINC000671098174 544056180 /nfs/dbraw/zinc/05/61/80/544056180.db2.gz IPWFHBFLPHIITO-YOFSQIOKSA-N 2 1 314.473 2.913 20 0 DFADMP C[C@@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H]1F ZINC000671686255 544097256 /nfs/dbraw/zinc/09/72/56/544097256.db2.gz CXNCMZOULMJWKB-MJGOQNOKSA-N 2 1 319.468 2.879 20 0 DFADMP C[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H]1F ZINC000671686255 544097258 /nfs/dbraw/zinc/09/72/58/544097258.db2.gz CXNCMZOULMJWKB-MJGOQNOKSA-N 2 1 319.468 2.879 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3[nH]c(=O)oc3c2)C1 ZINC000671742513 544105622 /nfs/dbraw/zinc/10/56/22/544105622.db2.gz DHKNACIIFPLSJK-STQMWFEESA-N 2 1 303.406 2.916 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccnn1C ZINC000671762059 544108077 /nfs/dbraw/zinc/10/80/77/544108077.db2.gz VMARWWBQSYWFPM-TWMKSMIVSA-N 2 1 304.482 2.622 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccnn1C ZINC000671762057 544108112 /nfs/dbraw/zinc/10/81/12/544108112.db2.gz VMARWWBQSYWFPM-MWDXBVQZSA-N 2 1 304.482 2.622 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674087752 544219286 /nfs/dbraw/zinc/21/92/86/544219286.db2.gz AIUKIBXDWMCJSM-SJLPKXTDSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]1C[C@H](C)[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682777817 545913385 /nfs/dbraw/zinc/91/33/85/545913385.db2.gz SKYQGEFUCOIPPY-DFEOGRTESA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682777817 545913390 /nfs/dbraw/zinc/91/33/90/545913390.db2.gz SKYQGEFUCOIPPY-DFEOGRTESA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000682777817 545913394 /nfs/dbraw/zinc/91/33/94/545913394.db2.gz SKYQGEFUCOIPPY-DFEOGRTESA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000682777817 545913398 /nfs/dbraw/zinc/91/33/98/545913398.db2.gz SKYQGEFUCOIPPY-DFEOGRTESA-N 2 1 304.478 2.846 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2ccccc2=O)cc1 ZINC000675778339 544335712 /nfs/dbraw/zinc/33/57/12/544335712.db2.gz UNCYJGIPXNTLOF-OAHLLOKOSA-N 2 1 322.412 2.693 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752461 544333720 /nfs/dbraw/zinc/33/37/20/544333720.db2.gz VLGZJFVJPZDPHY-DZKIICNBSA-N 2 1 302.418 2.735 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752461 544333722 /nfs/dbraw/zinc/33/37/22/544333722.db2.gz VLGZJFVJPZDPHY-DZKIICNBSA-N 2 1 302.418 2.735 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675811255 544338504 /nfs/dbraw/zinc/33/85/04/544338504.db2.gz ZEEQQTIMFSPZDS-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675811255 544338505 /nfs/dbraw/zinc/33/85/05/544338505.db2.gz ZEEQQTIMFSPZDS-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675882572 544341297 /nfs/dbraw/zinc/34/12/97/544341297.db2.gz SAWOGESHMMNKDT-BEFAXECRSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@@H](CCc1ccco1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881970 544341306 /nfs/dbraw/zinc/34/13/06/544341306.db2.gz OIIFYMGSQGVIMG-MAUKXSAKSA-N 2 1 306.450 2.834 20 0 DFADMP CCO[C@@H]1CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000676252550 544366129 /nfs/dbraw/zinc/36/61/29/544366129.db2.gz QYFFKKKUKVTHQI-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000676252550 544366131 /nfs/dbraw/zinc/36/61/31/544366131.db2.gz QYFFKKKUKVTHQI-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000676252550 544366133 /nfs/dbraw/zinc/36/61/33/544366133.db2.gz QYFFKKKUKVTHQI-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CC(C)c1nc([C@@H](C)[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cs1 ZINC000442889121 297210084 /nfs/dbraw/zinc/21/00/84/297210084.db2.gz IXNFNZGYCYMLDB-CQSZACIVSA-N 2 1 324.538 2.943 20 0 DFADMP CC(C)c1nc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cs1 ZINC000442889121 297210085 /nfs/dbraw/zinc/21/00/85/297210085.db2.gz IXNFNZGYCYMLDB-CQSZACIVSA-N 2 1 324.538 2.943 20 0 DFADMP Cc1nc([C@H](C)NCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676490651 544379531 /nfs/dbraw/zinc/37/95/31/544379531.db2.gz QLBYIFBYASKDHG-XQQFMLRXSA-N 2 1 311.495 2.910 20 0 DFADMP Cc1nc([C@H](C)NCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)s1 ZINC000676490651 544379534 /nfs/dbraw/zinc/37/95/34/544379534.db2.gz QLBYIFBYASKDHG-XQQFMLRXSA-N 2 1 311.495 2.910 20 0 DFADMP Cn1ccnc1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000677242024 544458017 /nfs/dbraw/zinc/45/80/17/544458017.db2.gz WGJLENHPYLXBTL-OTWHNJEPSA-N 2 1 324.472 2.920 20 0 DFADMP C[N@H+]1CCC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749541 544536017 /nfs/dbraw/zinc/53/60/17/544536017.db2.gz MKQQWBVSTOPETB-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749541 544536022 /nfs/dbraw/zinc/53/60/22/544536022.db2.gz MKQQWBVSTOPETB-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749541 544536028 /nfs/dbraw/zinc/53/60/28/544536028.db2.gz MKQQWBVSTOPETB-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749541 544536032 /nfs/dbraw/zinc/53/60/32/544536032.db2.gz MKQQWBVSTOPETB-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749541 544536034 /nfs/dbraw/zinc/53/60/34/544536034.db2.gz MKQQWBVSTOPETB-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCc2cccc(Cl)c2)CCCO1 ZINC000298155256 228386018 /nfs/dbraw/zinc/38/60/18/228386018.db2.gz RXXZPLXFYQWTTH-OAHLLOKOSA-N 2 1 310.869 2.973 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000677879747 544557185 /nfs/dbraw/zinc/55/71/85/544557185.db2.gz VUQDANZTPUGGFL-OAHLLOKOSA-N 2 1 308.385 2.545 20 0 DFADMP CC(C)[N@H+]1CCCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678120606 544603602 /nfs/dbraw/zinc/60/36/02/544603602.db2.gz VQZRFKXUWZHSTP-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP CC[C@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678122342 544604807 /nfs/dbraw/zinc/60/48/07/544604807.db2.gz LEUXQJIXAMHGTN-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)n1 ZINC000678256508 544633938 /nfs/dbraw/zinc/63/39/38/544633938.db2.gz RLGHBTJHFGNJII-MRXNPFEDSA-N 2 1 300.406 2.822 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)n1 ZINC000678256508 544633943 /nfs/dbraw/zinc/63/39/43/544633943.db2.gz RLGHBTJHFGNJII-MRXNPFEDSA-N 2 1 300.406 2.822 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000678259080 544634842 /nfs/dbraw/zinc/63/48/42/544634842.db2.gz YPYTUFNPRRRALY-HSALFYBXSA-N 2 1 313.489 2.502 20 0 DFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3coc4ccccc34)CC2)C1 ZINC000678258723 544635136 /nfs/dbraw/zinc/63/51/36/544635136.db2.gz LBGYXAWETITAKD-QGZVFWFLSA-N 2 1 313.445 2.645 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3coc4ccccc34)CC2)C1 ZINC000678258723 544635139 /nfs/dbraw/zinc/63/51/39/544635139.db2.gz LBGYXAWETITAKD-QGZVFWFLSA-N 2 1 313.445 2.645 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000678257609 544635314 /nfs/dbraw/zinc/63/53/14/544635314.db2.gz XZNZDXZWUCILFA-ZDUSSCGKSA-N 2 1 305.451 2.551 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000678257609 544635317 /nfs/dbraw/zinc/63/53/17/544635317.db2.gz XZNZDXZWUCILFA-ZDUSSCGKSA-N 2 1 305.451 2.551 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C)nc2C)CC1 ZINC000678418241 544669300 /nfs/dbraw/zinc/66/93/00/544669300.db2.gz DLLLYUZFZONTOS-MRXNPFEDSA-N 2 1 305.466 2.850 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)n1 ZINC000678422652 544670094 /nfs/dbraw/zinc/67/00/94/544670094.db2.gz NKQJJDKIFWEDRI-RDJZCZTQSA-N 2 1 305.466 2.586 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@@H]2c2ccccc2)CC1 ZINC000678932868 544752347 /nfs/dbraw/zinc/75/23/47/544752347.db2.gz ZONPJHNSZIDIIF-RTBURBONSA-N 2 1 302.462 2.759 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C2 ZINC000679025254 544770112 /nfs/dbraw/zinc/77/01/12/544770112.db2.gz JNASZNDEUQQBJA-JQHSSLGASA-N 2 1 311.429 2.955 20 0 DFADMP C[C@H]1C[C@H](Nc2cccc(OCCC[NH+](C)C)c2)CC[N@H+]1C ZINC000679147969 544792251 /nfs/dbraw/zinc/79/22/51/544792251.db2.gz MMZVPHDLNSDIGL-DOTOQJQBSA-N 2 1 305.466 2.912 20 0 DFADMP C[C@@H](c1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000679146231 544792268 /nfs/dbraw/zinc/79/22/68/544792268.db2.gz YGXYXGQFBHCKLG-GJYPPUQNSA-N 2 1 317.477 2.974 20 0 DFADMP C[C@@H](c1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000679146231 544792270 /nfs/dbraw/zinc/79/22/70/544792270.db2.gz YGXYXGQFBHCKLG-GJYPPUQNSA-N 2 1 317.477 2.974 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000679903735 544924593 /nfs/dbraw/zinc/92/45/93/544924593.db2.gz NAOPDPLRISHSGS-ZIAGYGMSSA-N 2 1 309.417 2.685 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000680330535 544991813 /nfs/dbraw/zinc/99/18/13/544991813.db2.gz XOAVEGYSHUUPKL-GOSISDBHSA-N 2 1 322.416 2.646 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]1c1cnn(C)c1 ZINC000680330535 544991817 /nfs/dbraw/zinc/99/18/17/544991817.db2.gz XOAVEGYSHUUPKL-GOSISDBHSA-N 2 1 322.416 2.646 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000680352649 544996387 /nfs/dbraw/zinc/99/63/87/544996387.db2.gz OKSSEMZTLHFRED-FNHZYXHNSA-N 2 1 302.462 2.872 20 0 DFADMP C[NH+]1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000102665564 425924639 /nfs/dbraw/zinc/92/46/39/425924639.db2.gz DXONGORGPUEZTF-UHFFFAOYSA-N 2 1 321.896 2.988 20 0 DFADMP Cc1ccc(CC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000124610367 425928597 /nfs/dbraw/zinc/92/85/97/425928597.db2.gz YPCFVVYLKLQLCW-QGZVFWFLSA-N 2 1 304.478 2.562 20 0 DFADMP CCCc1cc(N2CCC[N@@H+](CCO)CC2)c2ccccc2[nH+]1 ZINC000124665431 425931974 /nfs/dbraw/zinc/93/19/74/425931974.db2.gz NXEUVYWATJOIIG-UHFFFAOYSA-N 2 1 313.445 2.692 20 0 DFADMP C[N@H+](Cc1ccc(F)c(Br)c1)C1CC[NH2+]CC1 ZINC000036301518 425845445 /nfs/dbraw/zinc/84/54/45/425845445.db2.gz WEHTWHHUPHLOET-UHFFFAOYSA-N 2 1 301.203 2.772 20 0 DFADMP C[N@@H+](Cc1ccc(F)c(Br)c1)C1CC[NH2+]CC1 ZINC000036301518 425845446 /nfs/dbraw/zinc/84/54/46/425845446.db2.gz WEHTWHHUPHLOET-UHFFFAOYSA-N 2 1 301.203 2.772 20 0 DFADMP Cc1c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cnn1C(C)C ZINC000191278113 267994760 /nfs/dbraw/zinc/99/47/60/267994760.db2.gz ROIPKKOGENQMRK-NVXWUHKLSA-N 2 1 322.497 2.660 20 0 DFADMP CCCn1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000192919813 268054334 /nfs/dbraw/zinc/05/43/34/268054334.db2.gz GSBYGCYMOHDGRI-SFHVURJKSA-N 2 1 312.461 2.905 20 0 DFADMP CCCn1cc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000192919813 268054335 /nfs/dbraw/zinc/05/43/35/268054335.db2.gz GSBYGCYMOHDGRI-SFHVURJKSA-N 2 1 312.461 2.905 20 0 DFADMP C[C@H]([NH2+]CCO[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193117770 268060789 /nfs/dbraw/zinc/06/07/89/268060789.db2.gz PUPZGXHCTZFKON-LZLYRXPVSA-N 2 1 310.482 2.772 20 0 DFADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(Br)s1 ZINC000258878349 268168975 /nfs/dbraw/zinc/16/89/75/268168975.db2.gz BIEYCJJBIMTAQI-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP CC1CC[NH+](CCCNC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000195288610 268132352 /nfs/dbraw/zinc/13/23/52/268132352.db2.gz IUBUWEXCGZYYNX-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccc(C)cc2)CC1 ZINC000047960025 425872379 /nfs/dbraw/zinc/87/23/79/425872379.db2.gz YBHPZNNNMMRKCF-MRXNPFEDSA-N 2 1 317.477 2.588 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000270650352 268195850 /nfs/dbraw/zinc/19/58/50/268195850.db2.gz QIBWKKKWDRJBCY-MJGOQNOKSA-N 2 1 312.461 2.692 20 0 DFADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000270683201 268201079 /nfs/dbraw/zinc/20/10/79/268201079.db2.gz VQLDQXABFJVMMC-OAHLLOKOSA-N 2 1 314.433 2.931 20 0 DFADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@H](C)C(=O)Nc1ccccc1 ZINC000270683201 268201081 /nfs/dbraw/zinc/20/10/81/268201081.db2.gz VQLDQXABFJVMMC-OAHLLOKOSA-N 2 1 314.433 2.931 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000270781191 268215746 /nfs/dbraw/zinc/21/57/46/268215746.db2.gz JWXHGYWRWVNWGJ-RBUKOAKNSA-N 2 1 300.446 2.595 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1C[C@H](O)C[C@H]1c1cc(F)ccc1F ZINC000270992254 268245795 /nfs/dbraw/zinc/24/57/95/268245795.db2.gz IKXMRFRDRKWFRP-CPUCHLNUSA-N 2 1 310.388 2.557 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccc(F)c(F)c1 ZINC000271449291 268249271 /nfs/dbraw/zinc/24/92/71/268249271.db2.gz DHALJMZNHCPHHV-JBBXEZCESA-N 2 1 324.415 2.993 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000271520306 268249294 /nfs/dbraw/zinc/24/92/94/268249294.db2.gz QDGHUNVNTCRRRE-UKRRQHHQSA-N 2 1 316.474 2.820 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCNc3ccccc32)CC1(C)C ZINC000282146094 268272256 /nfs/dbraw/zinc/27/22/56/268272256.db2.gz CKEVBDBXYQGXBW-GOSISDBHSA-N 2 1 316.493 2.549 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000302521458 268324302 /nfs/dbraw/zinc/32/43/02/268324302.db2.gz XROXOCIHVQGGDV-CYBMUJFWSA-N 2 1 317.408 2.655 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1CC(C)(C)O ZINC000302521458 268324303 /nfs/dbraw/zinc/32/43/03/268324303.db2.gz XROXOCIHVQGGDV-CYBMUJFWSA-N 2 1 317.408 2.655 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1CC(C)(C)O ZINC000302521459 268324309 /nfs/dbraw/zinc/32/43/09/268324309.db2.gz XROXOCIHVQGGDV-ZDUSSCGKSA-N 2 1 317.408 2.655 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1CC(C)(C)O ZINC000302521459 268324310 /nfs/dbraw/zinc/32/43/10/268324310.db2.gz XROXOCIHVQGGDV-ZDUSSCGKSA-N 2 1 317.408 2.655 20 0 DFADMP [NH3+][C@@H]1CN(c2cc[nH+]cc2Br)C[C@H]1c1ccccc1 ZINC000311724010 268337132 /nfs/dbraw/zinc/33/71/32/268337132.db2.gz MXAXADMIGHZSKU-GXTWGEPZSA-N 2 1 318.218 2.775 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000310030559 268337435 /nfs/dbraw/zinc/33/74/35/268337435.db2.gz XNMDEPWOJYSTMT-KFWWJZLASA-N 2 1 313.486 2.752 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000310030559 268337437 /nfs/dbraw/zinc/33/74/37/268337437.db2.gz XNMDEPWOJYSTMT-KFWWJZLASA-N 2 1 313.486 2.752 20 0 DFADMP CC1(C)COC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000313058461 268338690 /nfs/dbraw/zinc/33/86/90/268338690.db2.gz KXXVVLCLDUMLAD-GOSISDBHSA-N 2 1 302.462 2.708 20 0 DFADMP COc1ccc(C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000319300486 268346345 /nfs/dbraw/zinc/34/63/45/268346345.db2.gz ILDKOLOPQGGWQG-QWQRMKEZSA-N 2 1 306.450 2.552 20 0 DFADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCC3CCCCCC3)C2)nn1 ZINC000333117941 268375531 /nfs/dbraw/zinc/37/55/31/268375531.db2.gz HSWOJYOVFBCKRB-KRWDZBQOSA-N 2 1 305.470 2.734 20 0 DFADMP O=C([C@H]1CCC[N@H+]1C1CCCC1)N1CCC(c2c[nH]cn2)CC1 ZINC000333280933 268389063 /nfs/dbraw/zinc/38/90/63/268389063.db2.gz IVVSUJNQOBBLEK-QGZVFWFLSA-N 2 1 316.449 2.523 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)CC[NH+](C)C)cc1OC(F)F ZINC000049551666 425879727 /nfs/dbraw/zinc/87/97/27/425879727.db2.gz ZBGQEQCDCVNAOZ-LLVKDONJSA-N 2 1 302.365 2.726 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccccc3Cl)C2)CC1 ZINC000107370952 425989842 /nfs/dbraw/zinc/98/98/42/425989842.db2.gz LMVDLPZEYYHJDV-QGZVFWFLSA-N 2 1 321.896 2.594 20 0 DFADMP C[C@@H](c1ccc([S@@](C)=O)cc1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124908811 425944055 /nfs/dbraw/zinc/94/40/55/425944055.db2.gz VCGHUGUDXLZQGY-HTZUNMPGSA-N 2 1 308.491 2.901 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158756279 425947092 /nfs/dbraw/zinc/94/70/92/425947092.db2.gz RTAYCSFJPGMDCC-RYRKJORJSA-N 2 1 317.477 2.526 20 0 DFADMP COC(=O)c1cc(F)ccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000103555115 425952399 /nfs/dbraw/zinc/95/23/99/425952399.db2.gz HUOPEKKGSBDKKZ-UHFFFAOYSA-N 2 1 322.424 2.776 20 0 DFADMP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000125366027 425967966 /nfs/dbraw/zinc/96/79/66/425967966.db2.gz FATWSBOYLLBNSH-KYJSFNMBSA-N 2 1 306.450 2.580 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070171185 425968390 /nfs/dbraw/zinc/96/83/90/425968390.db2.gz BKUVESKBQVTVND-ZDUSSCGKSA-N 2 1 309.841 2.648 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000070170727 425968731 /nfs/dbraw/zinc/96/87/31/425968731.db2.gz FLTGGHZDDHXBCS-ZDUSSCGKSA-N 2 1 309.841 2.648 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000070189947 425970763 /nfs/dbraw/zinc/97/07/63/425970763.db2.gz XEDYZWUYFRSCGP-UHFFFAOYSA-N 2 1 309.841 2.600 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000337400839 268487680 /nfs/dbraw/zinc/48/76/80/268487680.db2.gz RBEUOSNZURYZDU-AWEZNQCLSA-N 2 1 317.433 2.738 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+]C(C3CC3)C3CC3)cc2)CC1 ZINC000126666034 426030654 /nfs/dbraw/zinc/03/06/54/426030654.db2.gz OPCFEEZNJLOMJM-UHFFFAOYSA-N 2 1 313.489 2.712 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000126684116 426031583 /nfs/dbraw/zinc/03/15/83/426031583.db2.gz QHKYKYWXUWZDJG-UHFFFAOYSA-N 2 1 303.450 2.604 20 0 DFADMP C[C@@](O)(C[NH+]1CCC([NH2+]C2CCCC2)CC1)c1ccccc1 ZINC000111300869 426045707 /nfs/dbraw/zinc/04/57/07/426045707.db2.gz YZRAAQNSNNCYFF-LJQANCHMSA-N 2 1 302.462 2.891 20 0 DFADMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000111391273 426048687 /nfs/dbraw/zinc/04/86/87/426048687.db2.gz PSDSQAJNRVHJHH-YQQQUEKLSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000111391273 426048690 /nfs/dbraw/zinc/04/86/90/426048690.db2.gz PSDSQAJNRVHJHH-YQQQUEKLSA-N 2 1 310.445 2.705 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC3=CCCOC3)CC2)cs1 ZINC000127212363 426056155 /nfs/dbraw/zinc/05/61/55/426056155.db2.gz ISRKUHQWSAAMNS-UHFFFAOYSA-N 2 1 321.490 2.600 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1c(Cl)cccc1Cl ZINC000127222162 426056563 /nfs/dbraw/zinc/05/65/63/426056563.db2.gz SLTRWKHLDJTTSH-UHFFFAOYSA-N 2 1 318.248 2.863 20 0 DFADMP C[C@H]([NH2+]Cc1cscn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000127282105 426059834 /nfs/dbraw/zinc/05/98/34/426059834.db2.gz YDJXPGKQMAABDM-ZDUSSCGKSA-N 2 1 305.447 2.934 20 0 DFADMP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]CCCCn1cc[nH+]c1C ZINC000162452135 426065558 /nfs/dbraw/zinc/06/55/58/426065558.db2.gz UAXOJUVCVAYXDO-CVEARBPZSA-N 2 1 307.438 2.683 20 0 DFADMP OCCCCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000126221032 426011116 /nfs/dbraw/zinc/01/11/16/426011116.db2.gz LIPXAOSEBQIPEW-UHFFFAOYSA-N 2 1 304.478 2.836 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccccc2OC)C1 ZINC000076002923 426093896 /nfs/dbraw/zinc/09/38/96/426093896.db2.gz SFNVYWZGKRTBAT-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccccc2OC)C1 ZINC000076002923 426093899 /nfs/dbraw/zinc/09/38/99/426093899.db2.gz SFNVYWZGKRTBAT-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000163217495 426093949 /nfs/dbraw/zinc/09/39/49/426093949.db2.gz KRDWPMVUCBTEFO-LSDHHAIUSA-N 2 1 317.433 2.636 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243490 426094187 /nfs/dbraw/zinc/09/41/87/426094187.db2.gz PBPFUOKIIRJQIC-GDBMZVCRSA-N 2 1 304.434 2.840 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000076003547 426094436 /nfs/dbraw/zinc/09/44/36/426094436.db2.gz RMEVIYFBUBKPRX-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000076003547 426094439 /nfs/dbraw/zinc/09/44/39/426094439.db2.gz RMEVIYFBUBKPRX-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000163359568 426097264 /nfs/dbraw/zinc/09/72/64/426097264.db2.gz MGDYBTIUQDTRLP-FVQBIDKESA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000163359568 426097269 /nfs/dbraw/zinc/09/72/69/426097269.db2.gz MGDYBTIUQDTRLP-FVQBIDKESA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]([NH2+]Cc1nccs1)c1cccc(OCC[NH+](C)C)c1 ZINC000128152039 426104870 /nfs/dbraw/zinc/10/48/70/426104870.db2.gz LZXIZQKJEQBVQB-CYBMUJFWSA-N 2 1 305.447 2.934 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)ccc1F ZINC000128263005 426109607 /nfs/dbraw/zinc/10/96/07/426109607.db2.gz HZSGFWLRQWPMGM-CQSZACIVSA-N 2 1 311.420 2.643 20 0 DFADMP Cc1cccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1C ZINC000128275540 426110082 /nfs/dbraw/zinc/11/00/82/426110082.db2.gz WFHCOFUUYGKDBM-SFHVURJKSA-N 2 1 303.494 2.982 20 0 DFADMP CCCn1cc(C[N@H+]2CC[C@H](CNc3cccc(C)n3)C2)cn1 ZINC000128275534 426110327 /nfs/dbraw/zinc/11/03/27/426110327.db2.gz OUSMZNQDLBEGPJ-MRXNPFEDSA-N 2 1 313.449 2.931 20 0 DFADMP CCCn1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000128275534 426110332 /nfs/dbraw/zinc/11/03/32/426110332.db2.gz OUSMZNQDLBEGPJ-MRXNPFEDSA-N 2 1 313.449 2.931 20 0 DFADMP [NH3+]C[C@@H]1c2ccccc2CCN1c1cc[nH+]cc1Br ZINC000163972272 426110575 /nfs/dbraw/zinc/11/05/75/426110575.db2.gz YBNSFRSFQFFTHD-OAHLLOKOSA-N 2 1 318.218 2.907 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000164571069 426115374 /nfs/dbraw/zinc/11/53/74/426115374.db2.gz IWPKRASTKNEBTJ-DOTOQJQBSA-N 2 1 315.461 2.857 20 0 DFADMP Cc1ccccc1C[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128466618 426119618 /nfs/dbraw/zinc/11/96/18/426119618.db2.gz PVCVIODFJLUZRH-GOSISDBHSA-N 2 1 303.494 2.543 20 0 DFADMP C[N@@H+](CCNC(=O)CC[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000165004605 426119652 /nfs/dbraw/zinc/11/96/52/426119652.db2.gz NSAAYSXUBMQAJR-GOSISDBHSA-N 2 1 317.477 2.847 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000165629437 426123282 /nfs/dbraw/zinc/12/32/82/426123282.db2.gz JCWOKPLSMXLYPS-HBUWYVDXSA-N 2 1 303.450 2.506 20 0 DFADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCO1 ZINC000167050838 426130995 /nfs/dbraw/zinc/13/09/95/426130995.db2.gz ORUOJZNUXTWGKM-LJQANCHMSA-N 2 1 320.452 2.991 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)C2)c1 ZINC000128793010 426133366 /nfs/dbraw/zinc/13/33/66/426133366.db2.gz DOHBTVCYGXGPRG-FCEWJHQRSA-N 2 1 317.477 2.594 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000128793010 426133367 /nfs/dbraw/zinc/13/33/67/426133367.db2.gz DOHBTVCYGXGPRG-FCEWJHQRSA-N 2 1 317.477 2.594 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2ccccc2)CC1 ZINC000114453928 426135994 /nfs/dbraw/zinc/13/59/94/426135994.db2.gz NQCMGCMQALHRDS-MRXNPFEDSA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CC(C)(C)C)CC1 ZINC000114455896 426136170 /nfs/dbraw/zinc/13/61/70/426136170.db2.gz CTADOIZGASAURQ-QGZVFWFLSA-N 2 1 323.525 2.876 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000114475815 426137426 /nfs/dbraw/zinc/13/74/26/426137426.db2.gz GIDAQQOKUXZXLH-UHFFFAOYSA-N 2 1 305.466 2.652 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)c2cccn2C)CC1 ZINC000114475815 426137427 /nfs/dbraw/zinc/13/74/27/426137427.db2.gz GIDAQQOKUXZXLH-UHFFFAOYSA-N 2 1 305.466 2.652 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000162847114 426079876 /nfs/dbraw/zinc/07/98/76/426079876.db2.gz LYRPWBBNIHMNSC-SFHVURJKSA-N 2 1 318.461 2.873 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000162901655 426083010 /nfs/dbraw/zinc/08/30/10/426083010.db2.gz ABIDSZQDBUIYMX-APWZRJJASA-N 3 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000162901655 426083013 /nfs/dbraw/zinc/08/30/13/426083013.db2.gz ABIDSZQDBUIYMX-APWZRJJASA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000162901655 426083016 /nfs/dbraw/zinc/08/30/16/426083016.db2.gz ABIDSZQDBUIYMX-APWZRJJASA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000162901655 426083018 /nfs/dbraw/zinc/08/30/18/426083018.db2.gz ABIDSZQDBUIYMX-APWZRJJASA-N 2 1 301.478 2.855 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000112582893 426084026 /nfs/dbraw/zinc/08/40/26/426084026.db2.gz GCBAVCMJNXMMAQ-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000112582893 426084029 /nfs/dbraw/zinc/08/40/29/426084029.db2.gz GCBAVCMJNXMMAQ-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP c1coc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)c1 ZINC000127748977 426084118 /nfs/dbraw/zinc/08/41/18/426084118.db2.gz SIYOOCZCCSSWQI-ZACQAIPSSA-N 2 1 303.450 2.633 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835468 426085575 /nfs/dbraw/zinc/08/55/75/426085575.db2.gz GRKCJGYADBYUAZ-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP COc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835468 426085577 /nfs/dbraw/zinc/08/55/77/426085577.db2.gz GRKCJGYADBYUAZ-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP C[N@H+](CCC(=O)Nc1cccc(F)c1)CC[C@H]1CCCC[NH+]1C ZINC000075859931 426087140 /nfs/dbraw/zinc/08/71/40/426087140.db2.gz APHXSJGVZWJPDE-QGZVFWFLSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(F)c1)CC[C@H]1CCCC[N@@H+]1C ZINC000075859931 426087143 /nfs/dbraw/zinc/08/71/43/426087143.db2.gz APHXSJGVZWJPDE-QGZVFWFLSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(F)c1)CC[C@H]1CCCC[N@H+]1C ZINC000075859931 426087145 /nfs/dbraw/zinc/08/71/45/426087145.db2.gz APHXSJGVZWJPDE-QGZVFWFLSA-N 2 1 321.440 2.961 20 0 DFADMP COc1ccc(OCCC[NH+]2CCC([NH2+]C(C)C)CC2)cc1 ZINC000171690979 426204457 /nfs/dbraw/zinc/20/44/57/426204457.db2.gz ILCINQGNLACVGB-UHFFFAOYSA-N 2 1 306.450 2.927 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CCC[NH+]2C)cc1)C(C)C ZINC000171275340 426180637 /nfs/dbraw/zinc/18/06/37/426180637.db2.gz UIACMESDUACPBM-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+]2C)cc1)C(C)C ZINC000171275340 426180639 /nfs/dbraw/zinc/18/06/39/426180639.db2.gz UIACMESDUACPBM-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cc1)C(C)C ZINC000171275340 426180642 /nfs/dbraw/zinc/18/06/42/426180642.db2.gz UIACMESDUACPBM-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000133807329 426184111 /nfs/dbraw/zinc/18/41/11/426184111.db2.gz JJVUHZVLMHHSTC-MNEFBYGVSA-N 2 1 303.494 2.924 20 0 DFADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000134155247 426186673 /nfs/dbraw/zinc/18/66/73/426186673.db2.gz POMMPOCRGLWIMN-MJGOQNOKSA-N 2 1 307.526 2.842 20 0 DFADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCCCCC1 ZINC000116397227 426188570 /nfs/dbraw/zinc/18/85/70/426188570.db2.gz VUPLKVMZLQANCH-CVEARBPZSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1 ZINC000116396154 426188856 /nfs/dbraw/zinc/18/88/56/426188856.db2.gz USACVRFZFUZHTC-ZBFHGGJFSA-N 2 1 305.466 2.970 20 0 DFADMP CC[C@]1(C(=O)N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC[NH2+]1 ZINC000134584293 426188992 /nfs/dbraw/zinc/18/89/92/426188992.db2.gz UAHMMZUYRKDMQG-YQVWRLOYSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000134693662 426191936 /nfs/dbraw/zinc/19/19/36/426191936.db2.gz JNPSZOZPRUQYOD-LPHOPBHVSA-N 2 1 302.462 2.843 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000134693662 426191937 /nfs/dbraw/zinc/19/19/37/426191937.db2.gz JNPSZOZPRUQYOD-LPHOPBHVSA-N 2 1 302.462 2.843 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NCCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000081257309 426221580 /nfs/dbraw/zinc/22/15/80/426221580.db2.gz ZOZNXPQVGKTLPM-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000136082250 426234703 /nfs/dbraw/zinc/23/47/03/426234703.db2.gz JNFWIQZWVREKQW-YOEHRIQHSA-N 2 1 303.381 2.984 20 0 DFADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCCc3ccccc3)C2)CC1 ZINC000174897540 426267409 /nfs/dbraw/zinc/26/74/09/426267409.db2.gz DXVBUPGQLFDPQF-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000174897540 426267410 /nfs/dbraw/zinc/26/74/10/426267410.db2.gz DXVBUPGQLFDPQF-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174960883 426271067 /nfs/dbraw/zinc/27/10/67/426271067.db2.gz WQLNJJMHJHBXGL-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174960883 426271071 /nfs/dbraw/zinc/27/10/71/426271071.db2.gz WQLNJJMHJHBXGL-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174960883 426271075 /nfs/dbraw/zinc/27/10/75/426271075.db2.gz WQLNJJMHJHBXGL-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174961409 426271525 /nfs/dbraw/zinc/27/15/25/426271525.db2.gz PYVPQBQBZSPXGN-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174961409 426271526 /nfs/dbraw/zinc/27/15/26/426271526.db2.gz PYVPQBQBZSPXGN-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174961409 426271529 /nfs/dbraw/zinc/27/15/29/426271529.db2.gz PYVPQBQBZSPXGN-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119583644 426298849 /nfs/dbraw/zinc/29/88/49/426298849.db2.gz PETLTVKEKJJKBN-ROUUACIJSA-N 2 1 317.477 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667511 426301595 /nfs/dbraw/zinc/30/15/95/426301595.db2.gz OOKCQJOXKQSVPZ-VNHYZAJKSA-N 2 1 307.507 2.883 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(F)cc2c1OCOC2 ZINC000120696641 426313594 /nfs/dbraw/zinc/31/35/94/426313594.db2.gz QYYAUMOBJUNJOP-XNJGSVPQSA-N 2 1 322.424 2.553 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)CC[N@@H+]1C ZINC000120678559 426313657 /nfs/dbraw/zinc/31/36/57/426313657.db2.gz BUQNPVXKFKPLIC-IOASZLSFSA-N 2 1 311.420 2.640 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)CC[N@H+]1C ZINC000120678559 426313659 /nfs/dbraw/zinc/31/36/59/426313659.db2.gz BUQNPVXKFKPLIC-IOASZLSFSA-N 2 1 311.420 2.640 20 0 DFADMP CN(Cc1cn(C)nc1-c1cccs1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120987864 426319574 /nfs/dbraw/zinc/31/95/74/426319574.db2.gz FOSMSMFWKXOVBO-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)c(-c2cccs2)n1 ZINC000120987864 426319577 /nfs/dbraw/zinc/31/95/77/426319577.db2.gz FOSMSMFWKXOVBO-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c(-c2cccs2)n1 ZINC000120987864 426319580 /nfs/dbraw/zinc/31/95/80/426319580.db2.gz FOSMSMFWKXOVBO-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(-c2cccs2)n1 ZINC000120987864 426319582 /nfs/dbraw/zinc/31/95/82/426319582.db2.gz FOSMSMFWKXOVBO-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175726583 426323716 /nfs/dbraw/zinc/32/37/16/426323716.db2.gz RHLVXLNGXLSEJV-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175726583 426323718 /nfs/dbraw/zinc/32/37/18/426323718.db2.gz RHLVXLNGXLSEJV-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000175726583 426323722 /nfs/dbraw/zinc/32/37/22/426323722.db2.gz RHLVXLNGXLSEJV-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H](C)C1 ZINC000152100747 426327057 /nfs/dbraw/zinc/32/70/57/426327057.db2.gz KELYJCMRHCTKGU-VQIMIIECSA-N 2 1 312.461 2.751 20 0 DFADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152368420 426340604 /nfs/dbraw/zinc/34/06/04/426340604.db2.gz NTSDYYZXAWAGJY-INIZCTEOSA-N 3 1 305.510 2.857 20 0 DFADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000152368420 426340606 /nfs/dbraw/zinc/34/06/06/426340606.db2.gz NTSDYYZXAWAGJY-INIZCTEOSA-N 3 1 305.510 2.857 20 0 DFADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000152368420 426340609 /nfs/dbraw/zinc/34/06/09/426340609.db2.gz NTSDYYZXAWAGJY-INIZCTEOSA-N 3 1 305.510 2.857 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000151103567 426278429 /nfs/dbraw/zinc/27/84/29/426278429.db2.gz VZXFOQJSJUTBDO-HNNXBMFYSA-N 2 1 322.522 2.742 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151121152 426280039 /nfs/dbraw/zinc/28/00/39/426280039.db2.gz FICLRTWBLXEOGW-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151253173 426286362 /nfs/dbraw/zinc/28/63/62/426286362.db2.gz BPPPVZQABJMZJL-ZRGWGRIASA-N 2 1 320.452 2.886 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000151263274 426287543 /nfs/dbraw/zinc/28/75/43/426287543.db2.gz ZSPJDSBJZSOVFJ-AEFFLSMTSA-N 2 1 306.450 2.583 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829615 426397724 /nfs/dbraw/zinc/39/77/24/426397724.db2.gz VZPLBBDPJQJQSF-KFWWJZLASA-N 2 1 313.486 2.608 20 0 DFADMP Cc1ccccc1NC(=O)C[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000122862932 426398724 /nfs/dbraw/zinc/39/87/24/426398724.db2.gz UETGOPUDZZWKKF-NVXWUHKLSA-N 2 1 312.417 2.713 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000153723296 426402007 /nfs/dbraw/zinc/40/20/07/426402007.db2.gz ACTROZLIIMGNRJ-OAHLLOKOSA-N 2 1 312.454 2.921 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000153723296 426402009 /nfs/dbraw/zinc/40/20/09/426402009.db2.gz ACTROZLIIMGNRJ-OAHLLOKOSA-N 2 1 312.454 2.921 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000152615872 426348291 /nfs/dbraw/zinc/34/82/91/426348291.db2.gz KPCRVDUKTQBQRE-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000152615872 426348294 /nfs/dbraw/zinc/34/82/94/426348294.db2.gz KPCRVDUKTQBQRE-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000152615872 426348296 /nfs/dbraw/zinc/34/82/96/426348296.db2.gz KPCRVDUKTQBQRE-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCC[C@H](C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000092796435 426352135 /nfs/dbraw/zinc/35/21/35/426352135.db2.gz ZGAPTDHKWBDIKK-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000122065844 426358040 /nfs/dbraw/zinc/35/80/40/426358040.db2.gz IQVLRCPYCHECHB-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cc(C)on2)CC1 ZINC000122065844 426358043 /nfs/dbraw/zinc/35/80/43/426358043.db2.gz IQVLRCPYCHECHB-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP C[C@H]1C[C@H](NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000122758891 426391862 /nfs/dbraw/zinc/39/18/62/426391862.db2.gz GGOASSOBZMNHJR-QFBILLFUSA-N 3 1 301.478 2.507 20 0 DFADMP C[C@H]1C[C@H](NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000122758891 426391865 /nfs/dbraw/zinc/39/18/65/426391865.db2.gz GGOASSOBZMNHJR-QFBILLFUSA-N 3 1 301.478 2.507 20 0 DFADMP C[C@H]1C[C@H](NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000122758891 426391868 /nfs/dbraw/zinc/39/18/68/426391868.db2.gz GGOASSOBZMNHJR-QFBILLFUSA-N 3 1 301.478 2.507 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC2(C)C)cc1F ZINC000340208472 268952140 /nfs/dbraw/zinc/95/21/40/268952140.db2.gz JRZFUDTWTALDDX-MRXNPFEDSA-N 2 1 303.381 2.977 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NCc1cccnc1OC1CCCC1 ZINC000153885942 426411196 /nfs/dbraw/zinc/41/11/96/426411196.db2.gz HGWGEDMFUNMOFN-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2=CCCOC2)cc1F ZINC000176831284 426418530 /nfs/dbraw/zinc/41/85/30/426418530.db2.gz BVVIFYFKTUMBBD-UHFFFAOYSA-N 2 1 301.365 2.756 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000154040121 426421828 /nfs/dbraw/zinc/42/18/28/426421828.db2.gz MYGVVAODMQKQDI-ROUUACIJSA-N 2 1 301.478 2.677 20 0 DFADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1c(Cl)cccc1Cl ZINC000123289125 426424801 /nfs/dbraw/zinc/42/48/01/426424801.db2.gz LTCCPGWBVRNASJ-UHFFFAOYSA-N 2 1 304.221 2.603 20 0 DFADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154328697 426437177 /nfs/dbraw/zinc/43/71/77/426437177.db2.gz UFSSLBGFNGPNCA-UONOGXRCSA-N 2 1 319.276 2.827 20 0 DFADMP CCCCc1noc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123529618 426439298 /nfs/dbraw/zinc/43/92/98/426439298.db2.gz DXNXGIZEROIISG-UHFFFAOYSA-N 2 1 308.470 2.966 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[NH+]2CCC(c3[nH]cc[nH+]3)CC2)o1 ZINC000340897346 269028944 /nfs/dbraw/zinc/02/89/44/269028944.db2.gz NPOKHNSCDCBKAZ-LLVKDONJSA-N 2 1 303.362 2.730 20 0 DFADMP C[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000341430854 269076113 /nfs/dbraw/zinc/07/61/13/269076113.db2.gz QFEJPNSUUIQMOL-QEOTZNIISA-N 2 1 309.498 2.627 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000177340575 426470101 /nfs/dbraw/zinc/47/01/01/426470101.db2.gz FHMLKDQJRIPWQP-UHFFFAOYSA-N 2 1 320.824 2.616 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000098143825 426480205 /nfs/dbraw/zinc/48/02/05/426480205.db2.gz ONVIRLJTRYCRMW-IEBWSBKVSA-N 2 1 320.477 2.829 20 0 DFADMP Cc1cccc2c1CC[C@@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124348545 426480822 /nfs/dbraw/zinc/48/08/22/426480822.db2.gz WNSWAPOYBKQKQA-FQEVSTJZSA-N 2 1 315.505 2.846 20 0 DFADMP Cc1ccsc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124417159 426483602 /nfs/dbraw/zinc/48/36/02/426483602.db2.gz UHGPZQMFHFNMTP-HNNXBMFYSA-N 2 1 309.523 2.981 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C12CCOCC2 ZINC000186356933 426512276 /nfs/dbraw/zinc/51/22/76/426512276.db2.gz VJNCRLZQCGUWLF-IAGOWNOFSA-N 2 1 321.465 2.536 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CCCCn2cc[nH+]c2C)C12CCOCC2 ZINC000186356948 426512401 /nfs/dbraw/zinc/51/24/01/426512401.db2.gz VJNCRLZQCGUWLF-SJORKVTESA-N 2 1 321.465 2.536 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)CC[N@H+]1C ZINC000186413377 426522341 /nfs/dbraw/zinc/52/23/41/426522341.db2.gz CAKBCCGWOXGRBP-CJNGLKHVSA-N 2 1 303.425 2.932 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000264420221 426549654 /nfs/dbraw/zinc/54/96/54/426549654.db2.gz ZZMMIKMETBMXCU-CQSZACIVSA-N 2 1 310.869 2.865 20 0 DFADMP C[C@H](N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321245 426504379 /nfs/dbraw/zinc/50/43/79/426504379.db2.gz PHJNUMVRIASZEV-YEWFCNIMSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@H](N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321245 426504385 /nfs/dbraw/zinc/50/43/85/426504385.db2.gz PHJNUMVRIASZEV-YEWFCNIMSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000178070328 426566824 /nfs/dbraw/zinc/56/68/24/426566824.db2.gz WBZMPQIVXSNIQP-CRAIPNDOSA-N 2 1 318.461 2.509 20 0 DFADMP CCOC(=O)[C@@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178114244 426573306 /nfs/dbraw/zinc/57/33/06/426573306.db2.gz WKYJKVMOUPIFMG-KZNAEPCWSA-N 2 1 316.445 2.707 20 0 DFADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272849776 426574311 /nfs/dbraw/zinc/57/43/11/426574311.db2.gz SLWQBEQDMUAMFP-NTPFDHPUSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272849776 426574314 /nfs/dbraw/zinc/57/43/14/426574314.db2.gz SLWQBEQDMUAMFP-NTPFDHPUSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000186726747 426587357 /nfs/dbraw/zinc/58/73/57/426587357.db2.gz QTZIBJAFPOFDHK-OAHLLOKOSA-N 2 1 322.522 2.966 20 0 DFADMP COc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000280506774 426588521 /nfs/dbraw/zinc/58/85/21/426588521.db2.gz RCPBPWCMHSZDSE-HDICACEKSA-N 2 1 323.440 2.654 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C)c1 ZINC000178305104 426601619 /nfs/dbraw/zinc/60/16/19/426601619.db2.gz BLRXVCKULKQNBT-QGZVFWFLSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1cccc(C)c1 ZINC000178305104 426601621 /nfs/dbraw/zinc/60/16/21/426601621.db2.gz BLRXVCKULKQNBT-QGZVFWFLSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C ZINC000178304993 426601931 /nfs/dbraw/zinc/60/19/31/426601931.db2.gz LOYDZPYWLWZKBK-INIZCTEOSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C ZINC000178304993 426601936 /nfs/dbraw/zinc/60/19/36/426601936.db2.gz LOYDZPYWLWZKBK-INIZCTEOSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000178326814 426607036 /nfs/dbraw/zinc/60/70/36/426607036.db2.gz HYIQQBMIIDAQJG-HNNXBMFYSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccccc1F ZINC000178326814 426607040 /nfs/dbraw/zinc/60/70/40/426607040.db2.gz HYIQQBMIIDAQJG-HNNXBMFYSA-N 2 1 303.381 2.874 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CC[C@H](C[NH3+])CC1)c1ccccc1 ZINC000289224581 426608787 /nfs/dbraw/zinc/60/87/87/426608787.db2.gz LLKCWZVPBHIZHB-BQFCYCMXSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607579 426612978 /nfs/dbraw/zinc/61/29/78/426612978.db2.gz XLLJBQWCMWDWCC-KANFNMMFSA-N 2 1 300.446 2.618 20 0 DFADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607579 426612985 /nfs/dbraw/zinc/61/29/85/426612985.db2.gz XLLJBQWCMWDWCC-KANFNMMFSA-N 2 1 300.446 2.618 20 0 DFADMP C[C@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607579 426612990 /nfs/dbraw/zinc/61/29/90/426612990.db2.gz XLLJBQWCMWDWCC-KANFNMMFSA-N 2 1 300.446 2.618 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC000228474079 426633267 /nfs/dbraw/zinc/63/32/67/426633267.db2.gz KDPNETIEHZOITE-MRVWCRGKSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC000228474079 426633272 /nfs/dbraw/zinc/63/32/72/426633272.db2.gz KDPNETIEHZOITE-MRVWCRGKSA-N 2 1 303.431 2.962 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000273279648 426633923 /nfs/dbraw/zinc/63/39/23/426633923.db2.gz NROBVHCIBMBFMV-LSDHHAIUSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000273279648 426633925 /nfs/dbraw/zinc/63/39/25/426633925.db2.gz NROBVHCIBMBFMV-LSDHHAIUSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000273310781 426642116 /nfs/dbraw/zinc/64/21/16/426642116.db2.gz UGSOBISMBLSJDS-GOEBONIOSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000273310781 426642120 /nfs/dbraw/zinc/64/21/20/426642120.db2.gz UGSOBISMBLSJDS-GOEBONIOSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000273369251 426652437 /nfs/dbraw/zinc/65/24/37/426652437.db2.gz XLBAZEQJUKCZRT-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-n2cccn2)cc1 ZINC000273369251 426652440 /nfs/dbraw/zinc/65/24/40/426652440.db2.gz XLBAZEQJUKCZRT-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1CC1 ZINC000289427940 426653889 /nfs/dbraw/zinc/65/38/89/426653889.db2.gz RLHOCQJHLCGQPT-GSEOLPGOSA-N 2 1 314.473 2.852 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1CC1 ZINC000289427940 426653891 /nfs/dbraw/zinc/65/38/91/426653891.db2.gz RLHOCQJHLCGQPT-GSEOLPGOSA-N 2 1 314.473 2.852 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1CC1 ZINC000289427940 426653895 /nfs/dbraw/zinc/65/38/95/426653895.db2.gz RLHOCQJHLCGQPT-GSEOLPGOSA-N 2 1 314.473 2.852 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1CC1 ZINC000289427940 426653899 /nfs/dbraw/zinc/65/38/99/426653899.db2.gz RLHOCQJHLCGQPT-GSEOLPGOSA-N 2 1 314.473 2.852 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000280796141 426657762 /nfs/dbraw/zinc/65/77/62/426657762.db2.gz VFOCPRNSAJWMPQ-GFCCVEGCSA-N 2 1 301.365 2.667 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+]2CCC[C@@H]2C1 ZINC000280796141 426657766 /nfs/dbraw/zinc/65/77/66/426657766.db2.gz VFOCPRNSAJWMPQ-GFCCVEGCSA-N 2 1 301.365 2.667 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3occc3c2)CC1 ZINC000289449140 426660400 /nfs/dbraw/zinc/66/04/00/426660400.db2.gz XCPPMIFMZWHEHS-HNNXBMFYSA-N 2 1 316.445 2.957 20 0 DFADMP COCCC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000178620354 426664906 /nfs/dbraw/zinc/66/49/06/426664906.db2.gz NCHZDSKSJVSJHL-IEBWSBKVSA-N 2 1 304.478 2.956 20 0 DFADMP CC(C)[C@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236666788 426673238 /nfs/dbraw/zinc/67/32/38/426673238.db2.gz VEVRWDDQFHGRCA-ZWKOTPCHSA-N 2 1 317.477 2.559 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236669307 426673613 /nfs/dbraw/zinc/67/36/13/426673613.db2.gz JIKQBNYXKIRGNT-INIZCTEOSA-N 2 1 319.493 2.778 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000178702662 426678567 /nfs/dbraw/zinc/67/85/67/426678567.db2.gz LWPNBCSLJCJDOM-VVYDWRJNSA-N 2 1 319.474 2.916 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000290049100 426680968 /nfs/dbraw/zinc/68/09/68/426680968.db2.gz DYEHHEWYNNWLEL-MRXNPFEDSA-N 3 1 304.482 2.760 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000290049100 426680971 /nfs/dbraw/zinc/68/09/71/426680971.db2.gz DYEHHEWYNNWLEL-MRXNPFEDSA-N 2 1 304.482 2.760 20 0 DFADMP C[C@@H](NCCC[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178411778 426623642 /nfs/dbraw/zinc/62/36/42/426623642.db2.gz SOPBSQNEUPLXQQ-QGZVFWFLSA-N 2 1 319.493 2.764 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1NC(C)=O ZINC000178413971 426624373 /nfs/dbraw/zinc/62/43/73/426624373.db2.gz YRCYYCRJKQUVNZ-AWEZNQCLSA-N 2 1 319.449 2.790 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000273560225 426686078 /nfs/dbraw/zinc/68/60/78/426686078.db2.gz DUTANAHCVQQHHZ-OAHLLOKOSA-N 2 1 321.490 2.682 20 0 DFADMP CC(C)[C@@](C)(O)C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000187101896 426629086 /nfs/dbraw/zinc/62/90/86/426629086.db2.gz CAIVFCAZFYCOHN-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@@](C)(O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000187101896 426629093 /nfs/dbraw/zinc/62/90/93/426629093.db2.gz CAIVFCAZFYCOHN-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@@](C)(O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000187101896 426629097 /nfs/dbraw/zinc/62/90/97/426629097.db2.gz CAIVFCAZFYCOHN-OALUTQOASA-N 2 1 304.478 2.847 20 0 DFADMP COc1cncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000290086326 426689821 /nfs/dbraw/zinc/68/98/21/426689821.db2.gz WWFAOALPHJJZBZ-GDBMZVCRSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000290086326 426689826 /nfs/dbraw/zinc/68/98/26/426689826.db2.gz WWFAOALPHJJZBZ-GDBMZVCRSA-N 2 1 303.450 2.833 20 0 DFADMP OCCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000188066602 426721073 /nfs/dbraw/zinc/72/10/73/426721073.db2.gz ULQFYOBUEJMYFR-UHFFFAOYSA-N 2 1 320.452 2.585 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CCC(=O)CC3)C2)n1 ZINC000290142440 426701349 /nfs/dbraw/zinc/70/13/49/426701349.db2.gz VUVSZCRYBVVVLN-MRXNPFEDSA-N 2 1 301.434 2.883 20 0 DFADMP [NH3+][C@@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178818234 426701386 /nfs/dbraw/zinc/70/13/86/426701386.db2.gz TZNZLJOSDXGNAF-SFHVURJKSA-N 2 1 315.461 2.553 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CC3CCC(=O)CC3)C2)[nH+]1 ZINC000290142440 426701355 /nfs/dbraw/zinc/70/13/55/426701355.db2.gz VUVSZCRYBVVVLN-MRXNPFEDSA-N 2 1 301.434 2.883 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC3CCC(=O)CC3)C2)[nH+]1 ZINC000290142440 426701357 /nfs/dbraw/zinc/70/13/57/426701357.db2.gz VUVSZCRYBVVVLN-MRXNPFEDSA-N 2 1 301.434 2.883 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000266743434 426771495 /nfs/dbraw/zinc/77/14/95/426771495.db2.gz ABHSSVKRULZEMU-UKRRQHHQSA-N 2 1 312.404 2.852 20 0 DFADMP COc1cc(C[N@H+](C)CCCCn2cc[nH+]c2C)ccc1O ZINC000179240292 426772525 /nfs/dbraw/zinc/77/25/25/426772525.db2.gz OJNCNEMPUIROEK-UHFFFAOYSA-N 2 1 303.406 2.818 20 0 DFADMP COc1cc(C[N@@H+](C)CCCCn2cc[nH+]c2C)ccc1O ZINC000179240292 426772533 /nfs/dbraw/zinc/77/25/33/426772533.db2.gz OJNCNEMPUIROEK-UHFFFAOYSA-N 2 1 303.406 2.818 20 0 DFADMP Cc1nn(C)cc1C[N@H+](Cc1ccccc1)C1CCN(C)CC1 ZINC000290486822 426775712 /nfs/dbraw/zinc/77/57/12/426775712.db2.gz OJDOMDZFYKZMRG-UHFFFAOYSA-N 2 1 312.461 2.825 20 0 DFADMP CC(C)[C@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+](C)C ZINC000281861039 426779585 /nfs/dbraw/zinc/77/95/85/426779585.db2.gz ZQJIDRQEIWNTAB-OAHLLOKOSA-N 2 1 311.857 2.926 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C12CCCC2 ZINC000245914059 426783270 /nfs/dbraw/zinc/78/32/70/426783270.db2.gz PSLZIINEUDTFMR-OKZBNKHCSA-N 2 1 324.509 2.551 20 0 DFADMP CC(C)C1CCC([NH+]2CCN(CC3CC[NH2+]CC3)CC2)CC1 ZINC000178982280 426729922 /nfs/dbraw/zinc/72/99/22/426729922.db2.gz JFNHEBWJKARQGM-UHFFFAOYSA-N 2 1 307.526 2.818 20 0 DFADMP COCC[N@H+]1CC[C@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000281614509 426730305 /nfs/dbraw/zinc/73/03/05/426730305.db2.gz NHUDXRCFRKDBMD-HNNXBMFYSA-N 2 1 311.857 2.534 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncn1C ZINC000245985348 426788881 /nfs/dbraw/zinc/78/88/81/426788881.db2.gz DYYZCNVPYMTPPO-MNZLEMJZSA-N 2 1 312.461 2.666 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000266580310 426744106 /nfs/dbraw/zinc/74/41/06/426744106.db2.gz LSPUGRHVHOQQSF-UHFFFAOYSA-N 2 1 323.400 2.954 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1cncn1C ZINC000245985348 426788885 /nfs/dbraw/zinc/78/88/85/426788885.db2.gz DYYZCNVPYMTPPO-MNZLEMJZSA-N 2 1 312.461 2.666 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccnc1 ZINC000290375377 426750941 /nfs/dbraw/zinc/75/09/41/426750941.db2.gz RLRWAWMSERCWKQ-HNNXBMFYSA-N 2 1 314.433 2.658 20 0 DFADMP C[NH+](C)Cc1cc(NC(=O)CCn2ccnc2)ccc1Cl ZINC000281752610 426759775 /nfs/dbraw/zinc/75/97/75/426759775.db2.gz SXHOEVPAFASTAU-UHFFFAOYSA-N 2 1 306.797 2.627 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cncc(Br)c2)C1 ZINC000290427374 426762382 /nfs/dbraw/zinc/76/23/82/426762382.db2.gz LDOSPCYMSUJMTP-DZGCQCFKSA-N 2 1 324.266 2.760 20 0 DFADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000281782761 426765548 /nfs/dbraw/zinc/76/55/48/426765548.db2.gz XHDUBQWUXMCYGW-LRDDRELGSA-N 2 1 315.392 2.870 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1F ZINC000274624580 426804892 /nfs/dbraw/zinc/80/48/92/426804892.db2.gz GMYMXTYGPBIKLD-UKPHBRMFSA-N 2 1 306.425 2.697 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1F ZINC000274624580 426804898 /nfs/dbraw/zinc/80/48/98/426804898.db2.gz GMYMXTYGPBIKLD-UKPHBRMFSA-N 2 1 306.425 2.697 20 0 DFADMP CC[C@@H]1C[N@@H+]2CCC[C@H]2CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000246258706 426814512 /nfs/dbraw/zinc/81/45/12/426814512.db2.gz KQBGQFSMUWYBAP-CVEARBPZSA-N 2 1 303.450 2.766 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000246258706 426814518 /nfs/dbraw/zinc/81/45/18/426814518.db2.gz KQBGQFSMUWYBAP-CVEARBPZSA-N 2 1 303.450 2.766 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282046550 426819204 /nfs/dbraw/zinc/81/92/04/426819204.db2.gz AWCAJFJHUJGHCP-HNNXBMFYSA-N 2 1 323.912 2.887 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282056586 426821423 /nfs/dbraw/zinc/82/14/23/426821423.db2.gz MIDSZZJLPBAMIQ-GOSISDBHSA-N 2 1 313.489 2.998 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246371160 426825784 /nfs/dbraw/zinc/82/57/84/426825784.db2.gz OABYRMVKAHSGPY-DOTOQJQBSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2cccc(C)c2)CC1 ZINC000267144097 426830580 /nfs/dbraw/zinc/83/05/80/426830580.db2.gz AJXKYAZXQGPWQV-SFHVURJKSA-N 2 1 320.477 2.541 20 0 DFADMP CC(C)(O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000274759824 426832102 /nfs/dbraw/zinc/83/21/02/426832102.db2.gz DFYIYGGFXMCYEK-FGTMMUONSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282124900 426833757 /nfs/dbraw/zinc/83/37/57/426833757.db2.gz AZKJWPGZWOBZRL-CRAIPNDOSA-N 2 1 301.478 2.536 20 0 DFADMP C[C@H](CC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282167522 426844626 /nfs/dbraw/zinc/84/46/26/426844626.db2.gz DTAOSWWRIQQZCO-QGZVFWFLSA-N 2 1 303.494 2.796 20 0 DFADMP Nc1ncccc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295166397 426846657 /nfs/dbraw/zinc/84/66/57/426846657.db2.gz HSCRHZKBDPSMFJ-HXUWFJFHSA-N 2 1 322.456 2.762 20 0 DFADMP CCCn1cc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cn1 ZINC000274840405 426849110 /nfs/dbraw/zinc/84/91/10/426849110.db2.gz VFHDYNHZKDCUTF-UHFFFAOYSA-N 2 1 313.449 2.709 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274941698 426858587 /nfs/dbraw/zinc/85/85/87/426858587.db2.gz SZXHEBRXCKNBGO-WNHJNPCNSA-N 2 1 302.462 2.648 20 0 DFADMP Brc1ccc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)nc1 ZINC000266900126 426791894 /nfs/dbraw/zinc/79/18/94/426791894.db2.gz GJOUCJQGYQJNIX-NSHDSACASA-N 2 1 321.222 2.947 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000282243956 426863224 /nfs/dbraw/zinc/86/32/24/426863224.db2.gz JENNUVKSNWTKNB-KRWDZBQOSA-N 2 1 303.494 2.980 20 0 DFADMP C[C@H](CC(N)=O)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000267289605 426864950 /nfs/dbraw/zinc/86/49/50/426864950.db2.gz XLYHCHZCHOPJRQ-OWCLPIDISA-N 2 1 317.477 2.518 20 0 DFADMP CN(CC[N@@H+](C)[C@@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000291103454 426876828 /nfs/dbraw/zinc/87/68/28/426876828.db2.gz JPLQNVSGBBOWPD-RTBURBONSA-N 2 1 301.478 2.500 20 0 DFADMP COCC1(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCC1 ZINC000291278832 426880161 /nfs/dbraw/zinc/88/01/61/426880161.db2.gz YQFFGJZDLFOEGW-SFHVURJKSA-N 2 1 317.477 2.652 20 0 DFADMP COCC1(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCC1 ZINC000291278832 426880166 /nfs/dbraw/zinc/88/01/66/426880166.db2.gz YQFFGJZDLFOEGW-SFHVURJKSA-N 2 1 317.477 2.652 20 0 DFADMP COCC1(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCC1 ZINC000291278832 426880174 /nfs/dbraw/zinc/88/01/74/426880174.db2.gz YQFFGJZDLFOEGW-SFHVURJKSA-N 2 1 317.477 2.652 20 0 DFADMP COCC1(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCC1 ZINC000291278832 426880178 /nfs/dbraw/zinc/88/01/78/426880178.db2.gz YQFFGJZDLFOEGW-SFHVURJKSA-N 2 1 317.477 2.652 20 0 DFADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCCO2 ZINC000305115103 426882584 /nfs/dbraw/zinc/88/25/84/426882584.db2.gz HRFZKUWAEARESC-SJLPKXTDSA-N 2 1 318.461 2.563 20 0 DFADMP C[C@H](NCC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275626344 426884249 /nfs/dbraw/zinc/88/42/49/426884249.db2.gz AMDSKGAELZNUAF-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275626344 426884270 /nfs/dbraw/zinc/88/42/70/426884270.db2.gz AMDSKGAELZNUAF-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275626344 426884276 /nfs/dbraw/zinc/88/42/76/426884276.db2.gz AMDSKGAELZNUAF-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP CSC[C@@H](CCO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000305137467 426885629 /nfs/dbraw/zinc/88/56/29/426885629.db2.gz LIRNISQVHNWNSV-CZUORRHYSA-N 2 1 319.474 2.945 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000275646388 426885932 /nfs/dbraw/zinc/88/59/32/426885932.db2.gz UBPMUUCIZLCATK-TZMCWYRMSA-N 2 1 318.446 2.543 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H](C)C1 ZINC000246961871 426885927 /nfs/dbraw/zinc/88/59/27/426885927.db2.gz IPIPTGZDIBKQTG-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H](C)C1 ZINC000246961871 426885934 /nfs/dbraw/zinc/88/59/34/426885934.db2.gz IPIPTGZDIBKQTG-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000305170325 426891901 /nfs/dbraw/zinc/89/19/01/426891901.db2.gz ZPQJRNDLXNUKBL-IEBWSBKVSA-N 2 1 316.445 2.812 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000247034128 426893342 /nfs/dbraw/zinc/89/33/42/426893342.db2.gz NTVQOUAGZQGSPI-QRQLOZEOSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000247034128 426893348 /nfs/dbraw/zinc/89/33/48/426893348.db2.gz NTVQOUAGZQGSPI-QRQLOZEOSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000247034128 426893354 /nfs/dbraw/zinc/89/33/54/426893354.db2.gz NTVQOUAGZQGSPI-QRQLOZEOSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000268064477 426902219 /nfs/dbraw/zinc/90/22/19/426902219.db2.gz AIHUFMDCIUNHBX-HNNXBMFYSA-N 2 1 321.490 2.510 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000282404556 426903669 /nfs/dbraw/zinc/90/36/69/426903669.db2.gz RVHXULNMQMSWAL-MRXNPFEDSA-N 2 1 319.493 2.680 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1F ZINC000275733544 426909692 /nfs/dbraw/zinc/90/96/92/426909692.db2.gz PDEXSHFAEQLBCQ-GDBMZVCRSA-N 2 1 308.441 2.896 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000247177580 426910407 /nfs/dbraw/zinc/91/04/07/426910407.db2.gz VAOZAMPYGWQFCR-KJWYOANISA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000247177580 426910412 /nfs/dbraw/zinc/91/04/12/426910412.db2.gz VAOZAMPYGWQFCR-KJWYOANISA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000247177580 426910418 /nfs/dbraw/zinc/91/04/18/426910418.db2.gz VAOZAMPYGWQFCR-KJWYOANISA-N 2 1 307.457 2.747 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150301 426911839 /nfs/dbraw/zinc/91/18/39/426911839.db2.gz SWAPUSNEEBBGRG-LPHOPBHVSA-N 3 1 312.461 2.751 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000247189149 426913205 /nfs/dbraw/zinc/91/32/05/426913205.db2.gz VQKMTFKOQQYMSW-QAPCUYQASA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000247193043 426913665 /nfs/dbraw/zinc/91/36/65/426913665.db2.gz VWRLJOJIPBGAMI-LMMKCTJWSA-N 2 1 301.478 2.833 20 0 DFADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1OC(F)F ZINC000291676308 426948668 /nfs/dbraw/zinc/94/86/68/426948668.db2.gz HEJUQBSLIQKWGU-NSHDSACASA-N 2 1 302.365 2.584 20 0 DFADMP CCC[C@H]1C[NH+](CCCC[N@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000247923427 426964006 /nfs/dbraw/zinc/96/40/06/426964006.db2.gz CGNLXVLGRNSYIP-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2c(F)cccc2F)N(C)C)CC[N@@H+]1C ZINC000247928262 426968660 /nfs/dbraw/zinc/96/86/60/426968660.db2.gz BUQNPVXKFKPLIC-DVOMOZLQSA-N 2 1 311.420 2.640 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2c(F)cccc2F)N(C)C)CC[N@H+]1C ZINC000247928262 426968664 /nfs/dbraw/zinc/96/86/64/426968664.db2.gz BUQNPVXKFKPLIC-DVOMOZLQSA-N 2 1 311.420 2.640 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccc(F)cn2)CC1 ZINC000276154405 426994702 /nfs/dbraw/zinc/99/47/02/426994702.db2.gz CLGCCSYGHRHHDJ-UHFFFAOYSA-N 2 1 323.456 2.791 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000248067430 426977932 /nfs/dbraw/zinc/97/79/32/426977932.db2.gz MHUUUZHWNJMCEP-VXNCWWDNSA-N 2 1 301.478 2.974 20 0 DFADMP CC(C)Cn1cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cn1 ZINC000181781412 426980422 /nfs/dbraw/zinc/98/04/22/426980422.db2.gz JEUNYNNKCVSHLM-CALCHBBNSA-N 2 1 322.497 2.518 20 0 DFADMP CC(C)(C)OC(=O)CCCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000181904221 426991711 /nfs/dbraw/zinc/99/17/11/426991711.db2.gz NARICMOPAZOTLO-INIZCTEOSA-N 2 1 310.482 2.916 20 0 DFADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247399594 426934237 /nfs/dbraw/zinc/93/42/37/426934237.db2.gz REIONPZZMFZYTG-JKSUJKDBSA-N 2 1 319.449 2.856 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000292021100 427059981 /nfs/dbraw/zinc/05/99/81/427059981.db2.gz XCKALYJZMDCSBU-UHFFFAOYSA-N 2 1 302.462 2.766 20 0 DFADMP OCCCCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248718691 427034990 /nfs/dbraw/zinc/03/49/90/427034990.db2.gz FTBUCCKLZDTTFZ-LDLYASANSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182269496 427044993 /nfs/dbraw/zinc/04/49/93/427044993.db2.gz YSBSZJQPUZGYJH-BEFAXECRSA-N 2 1 302.462 2.922 20 0 DFADMP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248814334 427045618 /nfs/dbraw/zinc/04/56/18/427045618.db2.gz DDQCJGCCMBMDJP-LSDHHAIUSA-N 2 1 307.438 2.776 20 0 DFADMP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248814334 427045623 /nfs/dbraw/zinc/04/56/23/427045623.db2.gz DDQCJGCCMBMDJP-LSDHHAIUSA-N 2 1 307.438 2.776 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000291990463 427049383 /nfs/dbraw/zinc/04/93/83/427049383.db2.gz ABGJJVRKJREAKH-AWEZNQCLSA-N 2 1 314.433 2.634 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000268563082 427053928 /nfs/dbraw/zinc/05/39/28/427053928.db2.gz POHGNDKYBAEOSN-ZWKOTPCHSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000268563082 427053938 /nfs/dbraw/zinc/05/39/38/427053938.db2.gz POHGNDKYBAEOSN-ZWKOTPCHSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000268563082 427053945 /nfs/dbraw/zinc/05/39/45/427053945.db2.gz POHGNDKYBAEOSN-ZWKOTPCHSA-N 2 1 316.493 2.998 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)c1ccccc1 ZINC000292039614 427065796 /nfs/dbraw/zinc/06/57/96/427065796.db2.gz YGQBJNDKXCDXJA-WBVHZDCISA-N 2 1 305.466 2.524 20 0 DFADMP C[C@H](CNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000296108967 427079100 /nfs/dbraw/zinc/07/91/00/427079100.db2.gz SGCAPMGFBOHWGA-NJAFHUGGSA-N 2 1 317.477 2.531 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000182528497 427093716 /nfs/dbraw/zinc/09/37/16/427093716.db2.gz UEJMUPWSNWHVRY-QRQLOZEOSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000182528497 427093721 /nfs/dbraw/zinc/09/37/21/427093721.db2.gz UEJMUPWSNWHVRY-QRQLOZEOSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000182528497 427093729 /nfs/dbraw/zinc/09/37/29/427093729.db2.gz UEJMUPWSNWHVRY-QRQLOZEOSA-N 2 1 304.478 2.642 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192215 427096077 /nfs/dbraw/zinc/09/60/77/427096077.db2.gz OOJJULGTVKSZSY-ZSAUSMIDSA-N 2 1 322.415 2.788 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290037 427103563 /nfs/dbraw/zinc/10/35/63/427103563.db2.gz MFZRKFDATTYEFK-RYUDHWBXSA-N 2 1 314.367 2.566 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290037 427103570 /nfs/dbraw/zinc/10/35/70/427103570.db2.gz MFZRKFDATTYEFK-RYUDHWBXSA-N 2 1 314.367 2.566 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)(F)C(F)F)[C@@H](C)C1 ZINC000249290037 427103575 /nfs/dbraw/zinc/10/35/75/427103575.db2.gz MFZRKFDATTYEFK-RYUDHWBXSA-N 2 1 314.367 2.566 20 0 DFADMP C[C@H]([N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1(C)CC1 ZINC000249293228 427104385 /nfs/dbraw/zinc/10/43/85/427104385.db2.gz LJYXDJTVCNMPSB-DOTOQJQBSA-N 2 1 317.477 2.526 20 0 DFADMP CC[NH+](CC)Cc1ccc(N[C@@H]2CC[N@@H+](CCOC)C2)cc1 ZINC000276584414 427106311 /nfs/dbraw/zinc/10/63/11/427106311.db2.gz VMTKYMQCFJVVAK-GOSISDBHSA-N 2 1 305.466 2.661 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000268764490 427108174 /nfs/dbraw/zinc/10/81/74/427108174.db2.gz NGQBDYHGUSVJNH-KRWDZBQOSA-N 2 1 319.493 2.904 20 0 DFADMP C[C@H]1C[C@@H](NC(=O)C=Cc2c[nH]cn2)CC[N@H+]1Cc1ccccc1 ZINC000276594458 427110575 /nfs/dbraw/zinc/11/05/75/427110575.db2.gz NKKWFKAWVSVYMU-QDUBOOTOSA-N 2 1 324.428 2.592 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292162807 427113806 /nfs/dbraw/zinc/11/38/06/427113806.db2.gz OSHTUOAOLKDTQX-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292162807 427113813 /nfs/dbraw/zinc/11/38/13/427113813.db2.gz OSHTUOAOLKDTQX-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCCOc1ccc(OCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292162807 427113821 /nfs/dbraw/zinc/11/38/21/427113821.db2.gz OSHTUOAOLKDTQX-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCCOc1ccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292162807 427113829 /nfs/dbraw/zinc/11/38/29/427113829.db2.gz OSHTUOAOLKDTQX-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000268793064 427120084 /nfs/dbraw/zinc/12/00/84/427120084.db2.gz HCTQMDPDDWOZPN-CQSZACIVSA-N 2 1 312.417 2.669 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268818024 427127560 /nfs/dbraw/zinc/12/75/60/427127560.db2.gz WTDSZOWYKLUMQA-LPHOPBHVSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268818024 427127566 /nfs/dbraw/zinc/12/75/66/427127566.db2.gz WTDSZOWYKLUMQA-LPHOPBHVSA-N 2 1 312.461 2.605 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000268823648 427128273 /nfs/dbraw/zinc/12/82/73/427128273.db2.gz OSEJWTZHFRQRMO-CVEARBPZSA-N 2 1 317.477 2.533 20 0 DFADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268825503 427131404 /nfs/dbraw/zinc/13/14/04/427131404.db2.gz JACOWZUDZMXSNW-JKSUJKDBSA-N 2 1 320.477 2.624 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000268828871 427132475 /nfs/dbraw/zinc/13/24/75/427132475.db2.gz ZZYSDKHVUJMBHN-RDJZCZTQSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000268828871 427132480 /nfs/dbraw/zinc/13/24/80/427132480.db2.gz ZZYSDKHVUJMBHN-RDJZCZTQSA-N 2 1 306.450 2.532 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]CCCn1cc[nH+]c1C ZINC000268830706 427132518 /nfs/dbraw/zinc/13/25/18/427132518.db2.gz FBNWKVMEBLJVPX-SFHVURJKSA-N 2 1 319.424 2.958 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCn3ccnc3)C2)CC1 ZINC000182742662 427135689 /nfs/dbraw/zinc/13/56/89/427135689.db2.gz NJZHUYLEZOYDGO-SFHVURJKSA-N 2 1 304.482 2.717 20 0 DFADMP Cc1ccc2nc(C[NH2+]Cc3cccc(C[NH+](C)C)c3)cn2c1 ZINC000284109077 427137209 /nfs/dbraw/zinc/13/72/09/427137209.db2.gz WQQCDYCSMZMNBJ-UHFFFAOYSA-N 2 1 308.429 2.994 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000269002490 427145995 /nfs/dbraw/zinc/14/59/95/427145995.db2.gz PPTPAEANOSBQLH-ZYSHUDEJSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000269002490 427146005 /nfs/dbraw/zinc/14/60/05/427146005.db2.gz PPTPAEANOSBQLH-ZYSHUDEJSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000269054747 427150026 /nfs/dbraw/zinc/15/00/26/427150026.db2.gz WKVPEMWPEBAHNG-HKUYNNGSSA-N 3 1 303.494 2.971 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000269054747 427150032 /nfs/dbraw/zinc/15/00/32/427150032.db2.gz WKVPEMWPEBAHNG-HKUYNNGSSA-N 3 1 303.494 2.971 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1 ZINC000269276853 427156825 /nfs/dbraw/zinc/15/68/25/427156825.db2.gz OYIDVKWSWGSJEJ-KRWDZBQOSA-N 2 1 305.466 2.632 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(OC)cn1 ZINC000277308306 427158625 /nfs/dbraw/zinc/15/86/25/427158625.db2.gz UMXODDJFZOCONV-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(OC)cn1 ZINC000277308306 427158630 /nfs/dbraw/zinc/15/86/30/427158630.db2.gz UMXODDJFZOCONV-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000338143708 427158768 /nfs/dbraw/zinc/15/87/68/427158768.db2.gz NRQOPHQZZXRCOA-SHRNQRGKSA-N 2 1 308.853 2.790 20 0 DFADMP C[C@@H]([NH2+]Cc1cscn1)c1cccc(OCC[NH+](C)C)c1 ZINC000127316699 271032567 /nfs/dbraw/zinc/03/25/67/271032567.db2.gz VIDFAULIHULMAC-CYBMUJFWSA-N 2 1 305.447 2.934 20 0 DFADMP Cc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)c2cc(F)ccc2[nH+]1 ZINC000127727146 271033910 /nfs/dbraw/zinc/03/39/10/271033910.db2.gz PSRDXYANXDDGQZ-HNNXBMFYSA-N 2 1 315.392 2.593 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C2CC[NH+](CC(C)C)CC2)[nH]c1C ZINC000296383621 427163965 /nfs/dbraw/zinc/16/39/65/427163965.db2.gz KRBJDNYFPODOPU-UHFFFAOYSA-N 2 1 321.465 2.710 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000157953245 271071858 /nfs/dbraw/zinc/07/18/58/271071858.db2.gz LJMJGPWXVYJTMX-SJLPKXTDSA-N 2 1 315.461 2.528 20 0 DFADMP C[C@H](CCSc1ccccc1)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000269319922 427169237 /nfs/dbraw/zinc/16/92/37/427169237.db2.gz LZIXVWVFOFNKFB-MRXNPFEDSA-N 2 1 322.518 2.946 20 0 DFADMP COc1cc(C)c(C[N@H+](C)CCn2cc[nH+]c2C)cc1OC ZINC000270554729 271309125 /nfs/dbraw/zinc/30/91/25/271309125.db2.gz CHQLXKFBNXJTFY-UHFFFAOYSA-N 2 1 303.406 2.649 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)CCn2cc[nH+]c2C)cc1OC ZINC000270554729 271309127 /nfs/dbraw/zinc/30/91/27/271309127.db2.gz CHQLXKFBNXJTFY-UHFFFAOYSA-N 2 1 303.406 2.649 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(-n2ccnc2)cc1 ZINC000279017197 271321369 /nfs/dbraw/zinc/32/13/69/271321369.db2.gz UJBQZMNPQJPZGC-HOTGVXAUSA-N 2 1 321.428 2.982 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)ncn1 ZINC000292311583 427170256 /nfs/dbraw/zinc/17/02/56/427170256.db2.gz AJJHYEUYVVAIBP-HNNXBMFYSA-N 2 1 311.433 2.697 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCC[C@@H](C)[NH+]2CCCCC2)n1 ZINC000302186427 271362764 /nfs/dbraw/zinc/36/27/64/271362764.db2.gz UKJHGELPZNXTSY-CQSZACIVSA-N 2 1 314.437 2.647 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+]3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000303394879 271364143 /nfs/dbraw/zinc/36/41/43/271364143.db2.gz XGRHAFKBAZGUTK-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000303394879 271364146 /nfs/dbraw/zinc/36/41/46/271364146.db2.gz XGRHAFKBAZGUTK-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000303394879 271364149 /nfs/dbraw/zinc/36/41/49/271364149.db2.gz XGRHAFKBAZGUTK-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000303394879 271364153 /nfs/dbraw/zinc/36/41/53/271364153.db2.gz XGRHAFKBAZGUTK-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000303394879 271364157 /nfs/dbraw/zinc/36/41/57/271364157.db2.gz XGRHAFKBAZGUTK-BTHPGYMESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000284317306 427179910 /nfs/dbraw/zinc/17/99/10/427179910.db2.gz JVRVJDNIBMEZLW-SJLPKXTDSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000284317306 427179915 /nfs/dbraw/zinc/17/99/15/427179915.db2.gz JVRVJDNIBMEZLW-SJLPKXTDSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2nccn2C)C[N@H+]1Cc1ccccc1 ZINC000338196277 427185763 /nfs/dbraw/zinc/18/57/63/427185763.db2.gz OZBMOKGGPAXBHO-AEFFLSMTSA-N 2 1 312.461 2.810 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284593198 427195312 /nfs/dbraw/zinc/19/53/12/427195312.db2.gz ZTWDSPBSUJWTNO-KFKAGJAMSA-N 2 1 320.477 2.745 20 0 DFADMP C[C@H](O)[C@@](C)(C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000253354018 427200013 /nfs/dbraw/zinc/20/00/13/427200013.db2.gz XTOPDHHJAMXUAF-NLPMXTIOSA-N 2 1 318.505 2.935 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000253354017 427200098 /nfs/dbraw/zinc/20/00/98/427200098.db2.gz XTOPDHHJAMXUAF-JOMPHRNESA-N 2 1 318.505 2.935 20 0 DFADMP c1cn(CC[NH2+][C@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000183125717 427205553 /nfs/dbraw/zinc/20/55/53/427205553.db2.gz YDMPTQOCRNZBNN-AQNXPRMDSA-N 2 1 324.472 2.773 20 0 DFADMP C[C@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132038 427206851 /nfs/dbraw/zinc/20/68/51/427206851.db2.gz GGAVIIJAEMBEMR-DSLXNQLJSA-N 2 1 302.462 2.505 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H](O)COC(C)C)cc1 ZINC000183157152 427213642 /nfs/dbraw/zinc/21/36/42/427213642.db2.gz HJMMLXNYFYBMBM-KSSFIOAISA-N 2 1 317.433 2.617 20 0 DFADMP C[C@@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253545345 427215187 /nfs/dbraw/zinc/21/51/87/427215187.db2.gz OPCJRHCYFFSIPJ-MHORFTMASA-N 2 1 321.509 2.582 20 0 DFADMP Cn1ccnc1[C@@H](NCCC[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000183237514 427228781 /nfs/dbraw/zinc/22/87/81/427228781.db2.gz ZADDIOXKBSNRBX-SFHVURJKSA-N 2 1 312.461 2.983 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000191029027 427234931 /nfs/dbraw/zinc/23/49/31/427234931.db2.gz OBFSGRNSAAKTIS-WMZOPIPTSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000269631998 427236029 /nfs/dbraw/zinc/23/60/29/427236029.db2.gz ICXLJXXNAIWVJF-KRWDZBQOSA-N 2 1 316.493 2.633 20 0 DFADMP CC(=O)Nc1cccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285475721 427242931 /nfs/dbraw/zinc/24/29/31/427242931.db2.gz KUUTYRRWCZXUQS-JWTNVVGKSA-N 2 1 301.434 2.702 20 0 DFADMP CC(=O)Nc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285475721 427242948 /nfs/dbraw/zinc/24/29/48/427242948.db2.gz KUUTYRRWCZXUQS-JWTNVVGKSA-N 2 1 301.434 2.702 20 0 DFADMP CC(=O)Nc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285475721 427242954 /nfs/dbraw/zinc/24/29/54/427242954.db2.gz KUUTYRRWCZXUQS-JWTNVVGKSA-N 2 1 301.434 2.702 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000183334244 427249312 /nfs/dbraw/zinc/24/93/12/427249312.db2.gz FSWQMBSJDCJMJM-FVQBIDKESA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000183334244 427249319 /nfs/dbraw/zinc/24/93/19/427249319.db2.gz FSWQMBSJDCJMJM-FVQBIDKESA-N 2 1 307.869 2.991 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000285502109 427252561 /nfs/dbraw/zinc/25/25/61/427252561.db2.gz AGUTUTAFSNKFDT-CABCVRRESA-N 2 1 324.432 2.759 20 0 DFADMP CSC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338322041 427259185 /nfs/dbraw/zinc/25/91/85/427259185.db2.gz SCUODQZHJSJOPX-DLBZAZTESA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338322041 427259190 /nfs/dbraw/zinc/25/91/90/427259190.db2.gz SCUODQZHJSJOPX-DLBZAZTESA-N 2 1 322.518 2.601 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccccc1 ZINC000285536027 427263732 /nfs/dbraw/zinc/26/37/32/427263732.db2.gz HQRPXCXZTQCVFD-MSOLQXFVSA-N 2 1 320.396 2.510 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285556991 427270984 /nfs/dbraw/zinc/27/09/84/427270984.db2.gz RHVKHVPLUAJZNV-SJPCQFCGSA-N 2 1 319.424 2.711 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285556991 427270990 /nfs/dbraw/zinc/27/09/90/427270990.db2.gz RHVKHVPLUAJZNV-SJPCQFCGSA-N 2 1 319.424 2.711 20 0 DFADMP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000296912878 427274339 /nfs/dbraw/zinc/27/43/39/427274339.db2.gz AFCJJPSRLKIDTE-HKUYNNGSSA-N 2 1 317.477 2.703 20 0 DFADMP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000296912878 427274340 /nfs/dbraw/zinc/27/43/40/427274340.db2.gz AFCJJPSRLKIDTE-HKUYNNGSSA-N 2 1 317.477 2.703 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)CC[C@H]2CCC[NH+]2C)CC1 ZINC000338364768 427278394 /nfs/dbraw/zinc/27/83/94/427278394.db2.gz FEEYQWBHMKLDDB-AQFXKWCLSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)C1CCC([NH+](CC)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000338364768 427278400 /nfs/dbraw/zinc/27/84/00/427278400.db2.gz FEEYQWBHMKLDDB-AQFXKWCLSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)C1CCC([NH+](CC)CC[C@H]2CCC[N@H+]2C)CC1 ZINC000338364768 427278403 /nfs/dbraw/zinc/27/84/03/427278403.db2.gz FEEYQWBHMKLDDB-AQFXKWCLSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)CCCn2ccnc2)CC1 ZINC000338380973 427287686 /nfs/dbraw/zinc/28/76/86/427287686.db2.gz YULKOUIRDFJYIG-UHFFFAOYSA-N 2 1 307.438 2.717 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1nccn1-c1ccccc1 ZINC000191188467 427279744 /nfs/dbraw/zinc/27/97/44/427279744.db2.gz WTLPWACHVACQRF-UHFFFAOYSA-N 2 1 309.417 2.947 20 0 DFADMP c1cn(CC[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000293369481 427303514 /nfs/dbraw/zinc/30/35/14/427303514.db2.gz OVQUSKZLFLFXHZ-UHFFFAOYSA-N 2 1 324.472 2.871 20 0 DFADMP CN(CCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O)Cc1ccco1 ZINC000285719662 427320766 /nfs/dbraw/zinc/32/07/66/427320766.db2.gz QBLPKYLZIVYGGN-MOPGFXCFSA-N 2 1 314.429 2.692 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262179401 427352995 /nfs/dbraw/zinc/35/29/95/427352995.db2.gz RTAWEYJQIXRRMW-QAPCUYQASA-N 2 1 317.477 2.805 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000285742386 427325925 /nfs/dbraw/zinc/32/59/25/427325925.db2.gz YFVUYPBVACPFBF-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000285742386 427325932 /nfs/dbraw/zinc/32/59/32/427325932.db2.gz YFVUYPBVACPFBF-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000285742386 427325939 /nfs/dbraw/zinc/32/59/39/427325939.db2.gz YFVUYPBVACPFBF-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000285742394 427326847 /nfs/dbraw/zinc/32/68/47/427326847.db2.gz YFVUYPBVACPFBF-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000285742394 427326854 /nfs/dbraw/zinc/32/68/54/427326854.db2.gz YFVUYPBVACPFBF-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCCO4)C3)C2)cc1 ZINC000285742394 427326858 /nfs/dbraw/zinc/32/68/58/427326858.db2.gz YFVUYPBVACPFBF-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP C[C@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261722178 427338810 /nfs/dbraw/zinc/33/88/10/427338810.db2.gz GBEPZGAFMYCOBV-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262009293 427347178 /nfs/dbraw/zinc/34/71/78/427347178.db2.gz UWGFPNWQLXEDQT-DLBZAZTESA-N 2 1 324.472 2.745 20 0 DFADMP C[C@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262009293 427347182 /nfs/dbraw/zinc/34/71/82/427347182.db2.gz UWGFPNWQLXEDQT-DLBZAZTESA-N 2 1 324.472 2.745 20 0 DFADMP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000293327435 427290484 /nfs/dbraw/zinc/29/04/84/427290484.db2.gz IUYHHODMYUMNIX-SJLPKXTDSA-N 2 1 317.477 2.675 20 0 DFADMP CCCc1ccc2[nH+]ccc(NC[C@@H]3C[N@@H+](C)CCN3C)c2c1 ZINC000296982361 427293804 /nfs/dbraw/zinc/29/38/04/427293804.db2.gz DVXVZDLNHVBPOS-MRXNPFEDSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1ccc2[nH+]ccc(NC[C@@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC000296982361 427293812 /nfs/dbraw/zinc/29/38/12/427293812.db2.gz DVXVZDLNHVBPOS-MRXNPFEDSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1ccc2[nH+]ccc(NC[C@@H]3CN(C)CC[N@H+]3C)c2c1 ZINC000296982361 427293821 /nfs/dbraw/zinc/29/38/21/427293821.db2.gz DVXVZDLNHVBPOS-MRXNPFEDSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1ccc2[nH+]ccc(NC[C@H]3C[N@@H+](C)CCN3C)c2c1 ZINC000296982346 427295755 /nfs/dbraw/zinc/29/57/55/427295755.db2.gz DVXVZDLNHVBPOS-INIZCTEOSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1ccc2[nH+]ccc(NC[C@H]3CN(C)CC[N@@H+]3C)c2c1 ZINC000296982346 427295761 /nfs/dbraw/zinc/29/57/61/427295761.db2.gz DVXVZDLNHVBPOS-INIZCTEOSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1ccc2[nH+]ccc(NC[C@H]3CN(C)CC[N@H+]3C)c2c1 ZINC000296982346 427295769 /nfs/dbraw/zinc/29/57/69/427295769.db2.gz DVXVZDLNHVBPOS-INIZCTEOSA-N 2 1 312.461 2.845 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc2nsnc21 ZINC000271031534 427377773 /nfs/dbraw/zinc/37/77/73/427377773.db2.gz QOCMWOKTDYOGKI-UHFFFAOYSA-N 2 1 301.419 2.718 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc2nsnc21 ZINC000271031534 427377779 /nfs/dbraw/zinc/37/77/79/427377779.db2.gz QOCMWOKTDYOGKI-UHFFFAOYSA-N 2 1 301.419 2.718 20 0 DFADMP COC(=O)c1ccoc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000271039967 427381280 /nfs/dbraw/zinc/38/12/80/427381280.db2.gz MSCWCZZGSLPPSF-UHFFFAOYSA-N 2 1 308.422 2.620 20 0 DFADMP CO[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000293623113 427384253 /nfs/dbraw/zinc/38/42/53/427384253.db2.gz FXHYGDOGDULFNV-AYOQOUSVSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293626491 427386115 /nfs/dbraw/zinc/38/61/15/427386115.db2.gz GEKVDGLHCHSTAK-TYNCELHUSA-N 2 1 315.383 2.961 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285965794 427386636 /nfs/dbraw/zinc/38/66/36/427386636.db2.gz NHMZVRORXZWFRX-ZRNYENFQSA-N 2 1 314.473 2.975 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000285965794 427386641 /nfs/dbraw/zinc/38/66/41/427386641.db2.gz NHMZVRORXZWFRX-ZRNYENFQSA-N 2 1 314.473 2.975 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049632 427389435 /nfs/dbraw/zinc/38/94/35/427389435.db2.gz WQBUBOKGMJUEEW-RBUKOAKNSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049632 427389440 /nfs/dbraw/zinc/38/94/40/427389440.db2.gz WQBUBOKGMJUEEW-RBUKOAKNSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000271049632 427389446 /nfs/dbraw/zinc/38/94/46/427389446.db2.gz WQBUBOKGMJUEEW-RBUKOAKNSA-N 2 1 302.462 2.744 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000191655408 427398558 /nfs/dbraw/zinc/39/85/58/427398558.db2.gz KYBJVUJHGOXVDX-PTIUUAQKSA-N 2 1 302.462 2.910 20 0 DFADMP Fc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000293678784 427403861 /nfs/dbraw/zinc/40/38/61/427403861.db2.gz NCAJNRYKAWBBKQ-OWCLPIDISA-N 2 1 303.425 2.621 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184228542 427419594 /nfs/dbraw/zinc/41/95/94/427419594.db2.gz UZHNTXLMAYEALJ-INIZCTEOSA-N 2 1 323.525 2.912 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000293720763 427414221 /nfs/dbraw/zinc/41/42/21/427414221.db2.gz NQOPCOMYFMDEJW-SWLSCSKDSA-N 2 1 315.383 2.963 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270428585 427357104 /nfs/dbraw/zinc/35/71/04/427357104.db2.gz HLWBJOHQNQFSCO-GOSISDBHSA-N 2 1 316.445 2.637 20 0 DFADMP CCCn1cc[nH+]c1CCCN(C)Cc1nnc(C(C)C)n1C ZINC000191494033 427363104 /nfs/dbraw/zinc/36/31/04/427363104.db2.gz SLVIURPUXKSOOM-UHFFFAOYSA-N 2 1 318.469 2.610 20 0 DFADMP COc1cc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc(OC)c1 ZINC000293575958 427367111 /nfs/dbraw/zinc/36/71/11/427367111.db2.gz HIOOEOZQJZRLDV-GOSISDBHSA-N 2 1 304.434 2.622 20 0 DFADMP COCCOCC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000271205098 427450868 /nfs/dbraw/zinc/45/08/68/427450868.db2.gz GEIBJXPOQVVQGL-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000271205098 427450874 /nfs/dbraw/zinc/45/08/74/427450874.db2.gz GEIBJXPOQVVQGL-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000271205098 427450882 /nfs/dbraw/zinc/45/08/82/427450882.db2.gz GEIBJXPOQVVQGL-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000271205098 427450887 /nfs/dbraw/zinc/45/08/87/427450887.db2.gz GEIBJXPOQVVQGL-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP Cc1ccnc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000286207841 427454466 /nfs/dbraw/zinc/45/44/66/427454466.db2.gz RXLIYWKRAWNWJN-IXDOHACOSA-N 2 1 305.466 2.930 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263293996 427455451 /nfs/dbraw/zinc/45/54/51/427455451.db2.gz XJEQGDPOKGUDBK-XYTVBORESA-N 2 1 321.509 2.534 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)[C@@H]1CCc2ccccc2NC1=O ZINC000192043438 427469667 /nfs/dbraw/zinc/46/96/67/427469667.db2.gz BHEAKQJYGKUUCR-SJLPKXTDSA-N 2 1 315.461 2.746 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000192094095 427479538 /nfs/dbraw/zinc/47/95/38/427479538.db2.gz PFMJNQKMGBDBDS-HRCADAONSA-N 2 1 317.477 2.518 20 0 DFADMP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000293901326 427482855 /nfs/dbraw/zinc/48/28/55/427482855.db2.gz ZPUCCHXTVMXAMY-FCGDIQPGSA-N 2 1 302.462 2.648 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)[C@H](C)C1 ZINC000338785129 427486927 /nfs/dbraw/zinc/48/69/27/427486927.db2.gz JMDLNFFNCCXSDA-QLFBSQMISA-N 2 1 300.512 2.607 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000263164675 427426825 /nfs/dbraw/zinc/42/68/25/427426825.db2.gz PSLRVUXBDZFGFO-VYDXJSESSA-N 2 1 306.450 2.730 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297714269 427435883 /nfs/dbraw/zinc/43/58/83/427435883.db2.gz RFUAXUWWFSASGY-KRWDZBQOSA-N 3 1 324.472 2.841 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341189129 271789361 /nfs/dbraw/zinc/78/93/61/271789361.db2.gz PAEYFQCGJSTLRU-UHFFFAOYSA-N 2 1 317.477 2.770 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](O)CC1 ZINC000294023097 427524760 /nfs/dbraw/zinc/52/47/60/427524760.db2.gz NPBCTEKJLYVNGO-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](O)CC1 ZINC000294023097 427524768 /nfs/dbraw/zinc/52/47/68/427524768.db2.gz NPBCTEKJLYVNGO-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](O)CC1 ZINC000294023097 427524775 /nfs/dbraw/zinc/52/47/75/427524775.db2.gz NPBCTEKJLYVNGO-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271458279 427546760 /nfs/dbraw/zinc/54/67/60/427546760.db2.gz YIWRVEGEHRQQGK-DLBZAZTESA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271458279 427546763 /nfs/dbraw/zinc/54/67/63/427546763.db2.gz YIWRVEGEHRQQGK-DLBZAZTESA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271458279 427546770 /nfs/dbraw/zinc/54/67/70/427546770.db2.gz YIWRVEGEHRQQGK-DLBZAZTESA-N 2 1 312.461 2.985 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000185229776 427618254 /nfs/dbraw/zinc/61/82/54/427618254.db2.gz OKTYGWBQLLMTNZ-INIZCTEOSA-N 2 1 319.449 2.703 20 0 DFADMP CC[C@@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000192841873 427622242 /nfs/dbraw/zinc/62/22/42/427622242.db2.gz LLWNBZCXWRGDKF-XVLXNVKGSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccnc1 ZINC000271488653 427557803 /nfs/dbraw/zinc/55/78/03/427557803.db2.gz KEEXELJQVPMDFI-JCGIZDLHSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@@H]1[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000287299059 427571758 /nfs/dbraw/zinc/57/17/58/427571758.db2.gz KOARJPAHBXECBJ-RWQQGDIJSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1[C@@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000287299059 427571764 /nfs/dbraw/zinc/57/17/64/427571764.db2.gz KOARJPAHBXECBJ-RWQQGDIJSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000287299059 427571774 /nfs/dbraw/zinc/57/17/74/427571774.db2.gz KOARJPAHBXECBJ-RWQQGDIJSA-N 2 1 301.478 2.722 20 0 DFADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c(-c2ccnn2C)c1 ZINC000338951001 427586165 /nfs/dbraw/zinc/58/61/65/427586165.db2.gz BVTVBXTUMINOAE-MRXNPFEDSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338951001 427586172 /nfs/dbraw/zinc/58/61/72/427586172.db2.gz BVTVBXTUMINOAE-MRXNPFEDSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338951001 427586181 /nfs/dbraw/zinc/58/61/81/427586181.db2.gz BVTVBXTUMINOAE-MRXNPFEDSA-N 2 1 312.461 2.779 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826982 427589297 /nfs/dbraw/zinc/58/92/97/427589297.db2.gz OUXGGCPUQUOUSA-YOEHRIQHSA-N 2 1 315.461 2.731 20 0 DFADMP CC[NH+](CC)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccco1 ZINC000192774126 427607619 /nfs/dbraw/zinc/60/76/19/427607619.db2.gz GRZOPUGEGKDJLI-HMQMGEFJSA-N 2 1 305.466 2.877 20 0 DFADMP c1nn2ccccc2c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192928261 427635260 /nfs/dbraw/zinc/63/52/60/427635260.db2.gz LAWSXPSMKKPDFU-SFHVURJKSA-N 2 1 320.440 2.946 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)OC)c2)CC1 ZINC000287562854 427638917 /nfs/dbraw/zinc/63/89/17/427638917.db2.gz QFIUVFWSWZGKNH-UHFFFAOYSA-N 2 1 305.422 2.829 20 0 DFADMP COc1ccccc1C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000298555284 427648217 /nfs/dbraw/zinc/64/82/17/427648217.db2.gz VHEYVVQFYJPQGB-UHFFFAOYSA-N 2 1 300.446 2.943 20 0 DFADMP COc1ccccc1C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068589 427657463 /nfs/dbraw/zinc/65/74/63/427657463.db2.gz RMIKZEVFRQBBKL-HOTGVXAUSA-N 2 1 300.446 2.943 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NCc1nccn1CC(F)(F)F ZINC000342421639 272009451 /nfs/dbraw/zinc/00/94/51/272009451.db2.gz PLZXKHKZZLKXBD-GFCCVEGCSA-N 2 1 306.376 2.655 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000342902703 272065168 /nfs/dbraw/zinc/06/51/68/272065168.db2.gz PFDIXGWKALXHFR-RHSMWYFYSA-N 2 1 305.491 2.597 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032835 272077461 /nfs/dbraw/zinc/07/74/61/272077461.db2.gz HVUSEOXCEOCTIT-APWZRJJASA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000343032835 272077464 /nfs/dbraw/zinc/07/74/64/272077464.db2.gz HVUSEOXCEOCTIT-APWZRJJASA-N 2 1 301.478 2.712 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000272207625 427671323 /nfs/dbraw/zinc/67/13/23/427671323.db2.gz HFRSGVFMJPITIO-CRAIPNDOSA-N 2 1 317.477 2.728 20 0 DFADMP CC1CCC2(CC1)OC[C@@H](C[NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)O2 ZINC000193108169 427666435 /nfs/dbraw/zinc/66/64/35/427666435.db2.gz ONPAXNLXLQIWTH-LMKVIPCFSA-N 2 1 308.466 2.523 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@H]1OCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000343320279 272117326 /nfs/dbraw/zinc/11/73/26/272117326.db2.gz LILZYMAMHASJFQ-RTBURBONSA-N 2 1 311.429 2.898 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@H]1OCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000343320279 272117329 /nfs/dbraw/zinc/11/73/29/272117329.db2.gz LILZYMAMHASJFQ-RTBURBONSA-N 2 1 311.429 2.898 20 0 DFADMP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000343335248 272121058 /nfs/dbraw/zinc/12/10/58/272121058.db2.gz HWUKPECPGOSWPY-YRXWBPOGSA-N 2 1 300.446 2.981 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000343466147 272154195 /nfs/dbraw/zinc/15/41/95/272154195.db2.gz VGOYZCKEKLRNCI-SZMVWBNQSA-N 2 1 317.477 2.668 20 0 DFADMP COC(=O)c1occc1C[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000343469291 272154759 /nfs/dbraw/zinc/15/47/59/272154759.db2.gz IWVXWBVAAYFUNI-CQSZACIVSA-N 2 1 308.422 2.810 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000343749856 272211518 /nfs/dbraw/zinc/21/15/18/272211518.db2.gz CLHIKGISAWNLAO-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000343749856 272211519 /nfs/dbraw/zinc/21/15/19/272211519.db2.gz CLHIKGISAWNLAO-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000343749856 272211520 /nfs/dbraw/zinc/21/15/20/272211520.db2.gz CLHIKGISAWNLAO-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888289 272231885 /nfs/dbraw/zinc/23/18/85/272231885.db2.gz OWVGMMHJUNTLJL-JTDSTZFVSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888289 272231887 /nfs/dbraw/zinc/23/18/87/272231887.db2.gz OWVGMMHJUNTLJL-JTDSTZFVSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343921976 272238184 /nfs/dbraw/zinc/23/81/84/272238184.db2.gz JQDOKTPKIWYFHI-GPMSIDNRSA-N 2 1 319.468 2.845 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000343944300 272241721 /nfs/dbraw/zinc/24/17/21/272241721.db2.gz VYHNHTRAXMCMSV-BBWFWOEESA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@H](OCC)C12CCOCC2 ZINC000343944300 272241723 /nfs/dbraw/zinc/24/17/23/272241723.db2.gz VYHNHTRAXMCMSV-BBWFWOEESA-N 2 1 312.498 2.671 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000344068663 272255798 /nfs/dbraw/zinc/25/57/98/272255798.db2.gz KCJZRJBEYKOYMP-ZDUSSCGKSA-N 2 1 315.446 2.865 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272239851 427681757 /nfs/dbraw/zinc/68/17/57/427681757.db2.gz WIEWOADNOFKVLG-YJBOKZPZSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cncc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000344096287 272262986 /nfs/dbraw/zinc/26/29/86/272262986.db2.gz SMWALQFICXCPEZ-HNNXBMFYSA-N 2 1 314.433 2.576 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(F)cc1 ZINC000344121294 272267662 /nfs/dbraw/zinc/26/76/62/272267662.db2.gz DXRVCBCKBYTYKO-UHFFFAOYSA-N 2 1 307.457 2.675 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171404 272280063 /nfs/dbraw/zinc/28/00/63/272280063.db2.gz RVTYITIDCQMCGX-RTBURBONSA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171404 272280064 /nfs/dbraw/zinc/28/00/64/272280064.db2.gz RVTYITIDCQMCGX-RTBURBONSA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171404 272280065 /nfs/dbraw/zinc/28/00/65/272280065.db2.gz RVTYITIDCQMCGX-RTBURBONSA-N 2 1 320.452 2.537 20 0 DFADMP COc1cc(F)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000344290645 272305476 /nfs/dbraw/zinc/30/54/76/272305476.db2.gz CENOAIYNFXMTGX-GFCCVEGCSA-N 2 1 308.397 2.755 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H](C)C2 ZINC000272240578 427683235 /nfs/dbraw/zinc/68/32/35/427683235.db2.gz GOVGBGABFXGYGA-HNAYVOBHSA-N 2 1 302.462 2.665 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCOC(C)(C)C3)sc2C1 ZINC000344309356 272309187 /nfs/dbraw/zinc/30/91/87/272309187.db2.gz UGRPFSGFMFMVAP-CYBMUJFWSA-N 2 1 323.506 2.957 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCOC(C)(C)C3)sc2C1 ZINC000344309356 272309189 /nfs/dbraw/zinc/30/91/89/272309189.db2.gz UGRPFSGFMFMVAP-CYBMUJFWSA-N 2 1 323.506 2.957 20 0 DFADMP Cc1cc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000344424130 272329442 /nfs/dbraw/zinc/32/94/42/272329442.db2.gz TYMJQWNYBDMAES-MAUKXSAKSA-N 2 1 324.428 2.596 20 0 DFADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)ccn1 ZINC000344424132 272329902 /nfs/dbraw/zinc/32/99/02/272329902.db2.gz TYMJQWNYBDMAES-QAPCUYQASA-N 2 1 324.428 2.596 20 0 DFADMP Cc1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344516907 272332915 /nfs/dbraw/zinc/33/29/15/272332915.db2.gz GGESMVRTCQEHBA-HXUWFJFHSA-N 2 1 310.441 2.722 20 0 DFADMP Cc1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344516907 272332918 /nfs/dbraw/zinc/33/29/18/272332918.db2.gz GGESMVRTCQEHBA-HXUWFJFHSA-N 2 1 310.441 2.722 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344551527 272337522 /nfs/dbraw/zinc/33/75/22/272337522.db2.gz RWKPIEFLRDESCW-NZSAHSFTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344551527 272337524 /nfs/dbraw/zinc/33/75/24/272337524.db2.gz RWKPIEFLRDESCW-NZSAHSFTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC000344606529 272346495 /nfs/dbraw/zinc/34/64/95/272346495.db2.gz DNFKNUAQGXTLCV-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000344606529 272346496 /nfs/dbraw/zinc/34/64/96/272346496.db2.gz DNFKNUAQGXTLCV-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000344775291 272366716 /nfs/dbraw/zinc/36/67/16/272366716.db2.gz WAQLHRYMFHYBRR-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000344775291 272366719 /nfs/dbraw/zinc/36/67/19/272366719.db2.gz WAQLHRYMFHYBRR-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000344775291 272366721 /nfs/dbraw/zinc/36/67/21/272366721.db2.gz WAQLHRYMFHYBRR-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000339183343 427721966 /nfs/dbraw/zinc/72/19/66/427721966.db2.gz DRAICDSCCNGYQT-USXIJHARSA-N 2 1 310.482 2.818 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@@H](CCCC(=O)OC)C2)C1 ZINC000339188435 427723156 /nfs/dbraw/zinc/72/31/56/427723156.db2.gz DFYMTFHMJHLKMM-BBWFWOEESA-N 2 1 310.482 2.820 20 0 DFADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679263 427689227 /nfs/dbraw/zinc/68/92/27/427689227.db2.gz JPFAKMCJGGNELT-CVEARBPZSA-N 2 1 315.461 2.868 20 0 DFADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679263 427689235 /nfs/dbraw/zinc/68/92/35/427689235.db2.gz JPFAKMCJGGNELT-CVEARBPZSA-N 2 1 315.461 2.868 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2c(C)cc(C)nc2OC)C1 ZINC000287773332 427689728 /nfs/dbraw/zinc/68/97/28/427689728.db2.gz NAKOFTAPTRHBSE-INIZCTEOSA-N 2 1 305.466 2.871 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287916692 427713896 /nfs/dbraw/zinc/71/38/96/427713896.db2.gz VVUPLHGAGILFFS-KRWDZBQOSA-N 2 1 310.869 2.706 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000287921915 427716096 /nfs/dbraw/zinc/71/60/96/427716096.db2.gz WDEJOYGGUMWLPD-COXVUDFISA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000287921915 427716099 /nfs/dbraw/zinc/71/60/99/427716099.db2.gz WDEJOYGGUMWLPD-COXVUDFISA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000287921915 427716104 /nfs/dbraw/zinc/71/61/04/427716104.db2.gz WDEJOYGGUMWLPD-COXVUDFISA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000287921915 427716106 /nfs/dbraw/zinc/71/61/06/427716106.db2.gz WDEJOYGGUMWLPD-COXVUDFISA-N 2 1 310.869 2.658 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000336855580 427759840 /nfs/dbraw/zinc/75/98/40/427759840.db2.gz ILQQSHJXQPBGCM-LSDHHAIUSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000336855580 427759841 /nfs/dbraw/zinc/75/98/41/427759841.db2.gz ILQQSHJXQPBGCM-LSDHHAIUSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000336855580 427759844 /nfs/dbraw/zinc/75/98/44/427759844.db2.gz ILQQSHJXQPBGCM-LSDHHAIUSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC000336855580 427759847 /nfs/dbraw/zinc/75/98/47/427759847.db2.gz ILQQSHJXQPBGCM-LSDHHAIUSA-N 2 1 306.454 2.857 20 0 DFADMP Cc1nccn1CCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336854738 427761036 /nfs/dbraw/zinc/76/10/36/427761036.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336854738 427761038 /nfs/dbraw/zinc/76/10/38/427761038.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336854738 427761040 /nfs/dbraw/zinc/76/10/40/427761040.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000336854738 427761042 /nfs/dbraw/zinc/76/10/42/427761042.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 3 1 304.482 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000336854738 427761045 /nfs/dbraw/zinc/76/10/45/427761045.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 3 1 304.482 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336854738 427761046 /nfs/dbraw/zinc/76/10/46/427761046.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 3 1 304.482 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000336854738 427761048 /nfs/dbraw/zinc/76/10/48/427761048.db2.gz FXYIKQVZPOFKCT-GOSISDBHSA-N 3 1 304.482 2.635 20 0 DFADMP CO[C@@H]1CC[N@H+](CCCCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000339407575 427768941 /nfs/dbraw/zinc/76/89/41/427768941.db2.gz PMIDMAXYMCPAIK-SJLPKXTDSA-N 2 1 306.450 2.674 20 0 DFADMP CO[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)[C@@H](C[NH3+])C1 ZINC000339407575 427768943 /nfs/dbraw/zinc/76/89/43/427768943.db2.gz PMIDMAXYMCPAIK-SJLPKXTDSA-N 2 1 306.450 2.674 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000339407405 427769415 /nfs/dbraw/zinc/76/94/15/427769415.db2.gz KVNCDHYENRRVJB-KRWDZBQOSA-N 2 1 315.465 2.689 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000339407405 427769417 /nfs/dbraw/zinc/76/94/17/427769417.db2.gz KVNCDHYENRRVJB-KRWDZBQOSA-N 2 1 315.465 2.689 20 0 DFADMP Cc1noc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000336873234 427769602 /nfs/dbraw/zinc/76/96/02/427769602.db2.gz SHIKDZBYNNGQKY-QGZVFWFLSA-N 2 1 320.481 2.755 20 0 DFADMP Cc1noc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000336873234 427769603 /nfs/dbraw/zinc/76/96/03/427769603.db2.gz SHIKDZBYNNGQKY-QGZVFWFLSA-N 2 1 320.481 2.755 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)Cc1ccccc1 ZINC000339418235 427771081 /nfs/dbraw/zinc/77/10/81/427771081.db2.gz BNTRPGLJHYDFSC-AEFFLSMTSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H](CC)[N@H+](C)Cc1ccccc1 ZINC000339418235 427771084 /nfs/dbraw/zinc/77/10/84/427771084.db2.gz BNTRPGLJHYDFSC-AEFFLSMTSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000339418235 427771086 /nfs/dbraw/zinc/77/10/86/427771086.db2.gz BNTRPGLJHYDFSC-AEFFLSMTSA-N 2 1 319.493 2.744 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)nc(C(C)C)n1 ZINC000301362663 427791451 /nfs/dbraw/zinc/79/14/51/427791451.db2.gz PKQPVMHKQUMAMX-ARFHVFGLSA-N 2 1 300.450 2.829 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]CC3CC3)C3(C2)CCOCC3)cc1 ZINC000339487474 427782919 /nfs/dbraw/zinc/78/29/19/427782919.db2.gz HIRKHMITDTYORB-IBGZPJMESA-N 2 1 314.473 2.915 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656327 427745462 /nfs/dbraw/zinc/74/54/62/427745462.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336656327 427745464 /nfs/dbraw/zinc/74/54/64/427745464.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336656327 427745468 /nfs/dbraw/zinc/74/54/68/427745468.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656327 427745470 /nfs/dbraw/zinc/74/54/70/427745470.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656327 427745473 /nfs/dbraw/zinc/74/54/73/427745473.db2.gz MAAGTHUAWMUGNF-YTQUADARSA-N 2 1 313.489 2.723 20 0 DFADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713815 427748752 /nfs/dbraw/zinc/74/87/52/427748752.db2.gz NRZVKIUZBOWVJX-PMACEKPBSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713815 427748755 /nfs/dbraw/zinc/74/87/55/427748755.db2.gz NRZVKIUZBOWVJX-PMACEKPBSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713815 427748757 /nfs/dbraw/zinc/74/87/57/427748757.db2.gz NRZVKIUZBOWVJX-PMACEKPBSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCOC4)C[C@H]3C2)cc1 ZINC000336713543 427748991 /nfs/dbraw/zinc/74/89/91/427748991.db2.gz NCESFFQVACBYLY-VAMGGRTRSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCOC4)C[C@H]3C2)cc1 ZINC000336713543 427748993 /nfs/dbraw/zinc/74/89/93/427748993.db2.gz NCESFFQVACBYLY-VAMGGRTRSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCOC4)C[C@H]3C2)cc1 ZINC000336713543 427748997 /nfs/dbraw/zinc/74/89/97/427748997.db2.gz NCESFFQVACBYLY-VAMGGRTRSA-N 2 1 314.473 2.867 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000337033754 427790634 /nfs/dbraw/zinc/79/06/34/427790634.db2.gz HGWJYBKADCARLZ-VQTJNVASSA-N 2 1 315.505 2.658 20 0 DFADMP COC[C@H](C)[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301397264 427793732 /nfs/dbraw/zinc/79/37/32/427793732.db2.gz GWSWRXSLKIKOAR-ZDUSSCGKSA-N 2 1 303.381 2.531 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(OC)nc2C)CC1 ZINC000337128013 427802413 /nfs/dbraw/zinc/80/24/13/427802413.db2.gz HGMRDMAZDJYJIV-UHFFFAOYSA-N 2 1 320.481 2.738 20 0 DFADMP Cc1noc(C)c1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000339657272 427808386 /nfs/dbraw/zinc/80/83/86/427808386.db2.gz DIPYBOFJMTWNGY-YJBOKZPZSA-N 2 1 303.450 2.783 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339657272 427808388 /nfs/dbraw/zinc/80/83/88/427808388.db2.gz DIPYBOFJMTWNGY-YJBOKZPZSA-N 2 1 303.450 2.783 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339657272 427808391 /nfs/dbraw/zinc/80/83/91/427808391.db2.gz DIPYBOFJMTWNGY-YJBOKZPZSA-N 2 1 303.450 2.783 20 0 DFADMP CCCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359455233 427857975 /nfs/dbraw/zinc/85/79/75/427857975.db2.gz CYKQSLMOOMOEPO-CALCHBBNSA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359455233 427857981 /nfs/dbraw/zinc/85/79/81/427857981.db2.gz CYKQSLMOOMOEPO-CALCHBBNSA-N 2 1 318.461 2.915 20 0 DFADMP CCc1cc(N2CC[N@@H+](C[C@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301802687 427825327 /nfs/dbraw/zinc/82/53/27/427825327.db2.gz UAKOTIYPPOLMQP-GJZGRUSLSA-N 2 1 313.445 2.689 20 0 DFADMP Cc1ccc(C[N@@H+](CCO)Cc2ccc(-n3ccnc3)cc2)o1 ZINC000355659351 427838160 /nfs/dbraw/zinc/83/81/60/427838160.db2.gz YNQRXPMJYSNOCT-UHFFFAOYSA-N 2 1 311.385 2.768 20 0 DFADMP Cc1ccc(CN(CCO)Cc2ccc(-n3ccnc3)cc2)o1 ZINC000355659351 427838165 /nfs/dbraw/zinc/83/81/65/427838165.db2.gz YNQRXPMJYSNOCT-UHFFFAOYSA-N 2 1 311.385 2.768 20 0 DFADMP CC[C@H]1CN(c2nc(C)cc3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000302041578 427848901 /nfs/dbraw/zinc/84/89/01/427848901.db2.gz LPPFXVVWGHZTOD-WBVHZDCISA-N 2 1 313.445 2.825 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000340439210 427850561 /nfs/dbraw/zinc/85/05/61/427850561.db2.gz HZHNGHJGELCIDC-RTBURBONSA-N 2 1 302.462 2.881 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@]1(C)CCCO1 ZINC000340463074 427854021 /nfs/dbraw/zinc/85/40/21/427854021.db2.gz ATBQPQVCGVPXHJ-LPHOPBHVSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@]1(C)CCCO1 ZINC000340463074 427854025 /nfs/dbraw/zinc/85/40/25/427854025.db2.gz ATBQPQVCGVPXHJ-LPHOPBHVSA-N 2 1 302.462 2.982 20 0 DFADMP COCC[N@@H+](C)CCCNc1cc[nH+]c2cc(F)c(OC)cc12 ZINC000359449506 427855770 /nfs/dbraw/zinc/85/57/70/427855770.db2.gz PXHAPGMPXOXOIG-UHFFFAOYSA-N 2 1 321.396 2.763 20 0 DFADMP Cc1[nH]nc2ncc(C[N@H+](CCC[NH3+])Cc3ccccc3)cc12 ZINC000359460050 427860663 /nfs/dbraw/zinc/86/06/63/427860663.db2.gz QTHHTNUTJZOUER-UHFFFAOYSA-N 2 1 309.417 2.617 20 0 DFADMP Cc1[nH]nc2ncc(C[N@@H+](CCC[NH3+])Cc3ccccc3)cc12 ZINC000359460050 427860665 /nfs/dbraw/zinc/86/06/65/427860665.db2.gz QTHHTNUTJZOUER-UHFFFAOYSA-N 2 1 309.417 2.617 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](CC(F)(F)F)C2)CC1 ZINC000337353550 427860805 /nfs/dbraw/zinc/86/08/05/427860805.db2.gz AIHPSYVAIMWABY-OAHLLOKOSA-N 2 1 321.431 2.677 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340504878 427867675 /nfs/dbraw/zinc/86/76/75/427867675.db2.gz QWMCMELFOKVSDM-HKUYNNGSSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340504878 427867679 /nfs/dbraw/zinc/86/76/79/427867679.db2.gz QWMCMELFOKVSDM-HKUYNNGSSA-N 2 1 310.445 2.753 20 0 DFADMP CCCn1nccc1C1CC[NH+](CCn2cc[nH+]c2C)CC1 ZINC000337372906 427869659 /nfs/dbraw/zinc/86/96/59/427869659.db2.gz PRDSHTUNCUZMJN-UHFFFAOYSA-N 2 1 301.438 2.678 20 0 DFADMP CCC[C@H](C)[N@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337413380 427893350 /nfs/dbraw/zinc/89/33/50/427893350.db2.gz MNYHAYVYCOEHOS-ZNMIVQPWSA-N 2 1 323.460 2.580 20 0 DFADMP CCC[C@H](C)[N@@H+](C)C[C@@H]1C[C@@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000337413380 427893354 /nfs/dbraw/zinc/89/33/54/427893354.db2.gz MNYHAYVYCOEHOS-ZNMIVQPWSA-N 2 1 323.460 2.580 20 0 DFADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000340590919 427893779 /nfs/dbraw/zinc/89/37/79/427893779.db2.gz QCYSZOXUMITPLW-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000345768312 427896576 /nfs/dbraw/zinc/89/65/76/427896576.db2.gz SBPZLTFAJONROY-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345808565 427915074 /nfs/dbraw/zinc/91/50/74/427915074.db2.gz RHEFKGHYQQYUAU-WMZOPIPTSA-N 2 1 319.493 2.599 20 0 DFADMP CC[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+](CC)CC ZINC000345817297 427917989 /nfs/dbraw/zinc/91/79/89/427917989.db2.gz XRSXZZPMSLHDKU-KRWDZBQOSA-N 2 1 311.514 2.830 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000345823307 427920146 /nfs/dbraw/zinc/92/01/46/427920146.db2.gz VFFPZMCHLBEOHP-NUJGCVRESA-N 2 1 309.498 2.522 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@H]2C)CC1 ZINC000337469174 427920577 /nfs/dbraw/zinc/92/05/77/427920577.db2.gz OPIRZWUTSFKONL-CABCVRRESA-N 2 1 321.431 2.675 20 0 DFADMP CC(C)[N@H+](C)CCN[C@H]1CCC[NH+](Cc2ccccc2)[C@H]1C ZINC000340222835 427957842 /nfs/dbraw/zinc/95/78/42/427957842.db2.gz PHNXCZBALRVUND-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[NH+](Cc2ccccc2)[C@H]1C ZINC000340222835 427957846 /nfs/dbraw/zinc/95/78/46/427957846.db2.gz PHNXCZBALRVUND-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340222835 427957850 /nfs/dbraw/zinc/95/78/50/427957850.db2.gz PHNXCZBALRVUND-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340222835 427957855 /nfs/dbraw/zinc/95/78/55/427957855.db2.gz PHNXCZBALRVUND-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CCC[N@H+](C)Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000350647445 427959815 /nfs/dbraw/zinc/95/98/15/427959815.db2.gz YUGKAPZBCQRUFE-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP CCC[N@@H+](C)Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000350647445 427959828 /nfs/dbraw/zinc/95/98/28/427959828.db2.gz YUGKAPZBCQRUFE-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP CCCN(CC[NH+]1CCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000359667054 427965603 /nfs/dbraw/zinc/96/56/03/427965603.db2.gz SHSXDPLVNBCVIR-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340245398 427966118 /nfs/dbraw/zinc/96/61/18/427966118.db2.gz ALMBLJZHHDTHJN-PQEBFOHHSA-N 2 1 308.491 2.524 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340245398 427966121 /nfs/dbraw/zinc/96/61/21/427966121.db2.gz ALMBLJZHHDTHJN-PQEBFOHHSA-N 2 1 308.491 2.524 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C[C@@H]1c1ccccc1 ZINC000340259335 427967668 /nfs/dbraw/zinc/96/76/68/427967668.db2.gz PXZOLHJDJVYESZ-XGXHKWSGSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](O)C2)C[C@@H]1c1ccccc1 ZINC000340259335 427967672 /nfs/dbraw/zinc/96/76/72/427967672.db2.gz PXZOLHJDJVYESZ-XGXHKWSGSA-N 2 1 302.462 2.963 20 0 DFADMP Cc1cnc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1C ZINC000341034398 427974562 /nfs/dbraw/zinc/97/45/62/427974562.db2.gz LZGUTFYGZNKZBB-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP Cc1cnc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1C ZINC000341034398 427974566 /nfs/dbraw/zinc/97/45/66/427974566.db2.gz LZGUTFYGZNKZBB-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP CC(C)[NH+]1CCC(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CC1 ZINC000376692366 427979372 /nfs/dbraw/zinc/97/93/72/427979372.db2.gz XPAGMVCHJFIBMN-HKUYNNGSSA-N 2 1 316.493 2.537 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000376692366 427979376 /nfs/dbraw/zinc/97/93/76/427979376.db2.gz XPAGMVCHJFIBMN-HKUYNNGSSA-N 2 1 316.493 2.537 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCCC2)[C@@H]1Oc1ccccc1 ZINC000359716201 427986143 /nfs/dbraw/zinc/98/61/43/427986143.db2.gz MLKALXCMCJVTCK-OTWHNJEPSA-N 2 1 318.461 2.687 20 0 DFADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340335208 427989374 /nfs/dbraw/zinc/98/93/74/427989374.db2.gz VGWJCPMOUZSAAO-SJORKVTESA-N 2 1 317.477 2.574 20 0 DFADMP CCNC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340335208 427989378 /nfs/dbraw/zinc/98/93/78/427989378.db2.gz VGWJCPMOUZSAAO-SJORKVTESA-N 2 1 317.477 2.574 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359612348 427936929 /nfs/dbraw/zinc/93/69/29/427936929.db2.gz REMXHGYAXVKQEM-QGZVFWFLSA-N 2 1 316.489 2.570 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000345874541 427937483 /nfs/dbraw/zinc/93/74/83/427937483.db2.gz LFKOWTCGGONKIH-GJZGRUSLSA-N 2 1 318.465 2.695 20 0 DFADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000345889060 427941543 /nfs/dbraw/zinc/94/15/43/427941543.db2.gz QCKRLAMUXOQAKI-MSOLQXFVSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2cnn(C)c2)CC1)CC1CC1 ZINC000355901335 427941806 /nfs/dbraw/zinc/94/18/06/427941806.db2.gz MCTKNVJSUXFGOT-UHFFFAOYSA-N 2 1 304.482 2.754 20 0 DFADMP CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000376937635 428027481 /nfs/dbraw/zinc/02/74/81/428027481.db2.gz PLWXJQOZEJYQPA-RISCZKNCSA-N 2 1 323.437 2.694 20 0 DFADMP C[C@H](C[C@H](C)O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000341332935 428035545 /nfs/dbraw/zinc/03/55/45/428035545.db2.gz XSRTWAQJFREQBA-NFWHEIDTSA-N 2 1 302.462 2.931 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000359888656 428062210 /nfs/dbraw/zinc/06/22/10/428062210.db2.gz UWFDVFLYKQKLQG-RDJZCZTQSA-N 2 1 318.461 2.820 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000359888656 428062216 /nfs/dbraw/zinc/06/22/16/428062216.db2.gz UWFDVFLYKQKLQG-RDJZCZTQSA-N 2 1 318.461 2.820 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000359888656 428062218 /nfs/dbraw/zinc/06/22/18/428062218.db2.gz UWFDVFLYKQKLQG-RDJZCZTQSA-N 2 1 318.461 2.820 20 0 DFADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@]2(CCCOC2)O1 ZINC000369714881 428041398 /nfs/dbraw/zinc/04/13/98/428041398.db2.gz MOOXGVWEQKKGTF-ROUUACIJSA-N 2 1 321.465 2.632 20 0 DFADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@]2(CCCOC2)O1 ZINC000369714881 428041405 /nfs/dbraw/zinc/04/14/05/428041405.db2.gz MOOXGVWEQKKGTF-ROUUACIJSA-N 2 1 321.465 2.632 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000359850522 428047101 /nfs/dbraw/zinc/04/71/01/428047101.db2.gz AUHNPRRQXGMPGH-APWZRJJASA-N 2 1 319.468 2.816 20 0 DFADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000359850522 428047104 /nfs/dbraw/zinc/04/71/04/428047104.db2.gz AUHNPRRQXGMPGH-APWZRJJASA-N 2 1 319.468 2.816 20 0 DFADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000359850522 428047106 /nfs/dbraw/zinc/04/71/06/428047106.db2.gz AUHNPRRQXGMPGH-APWZRJJASA-N 2 1 319.468 2.816 20 0 DFADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000341385749 428056477 /nfs/dbraw/zinc/05/64/77/428056477.db2.gz WXCBJWXASRMKIW-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000341385749 428056482 /nfs/dbraw/zinc/05/64/82/428056482.db2.gz WXCBJWXASRMKIW-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369767851 428056727 /nfs/dbraw/zinc/05/67/27/428056727.db2.gz UWYJDVFHZKYBDF-NTFMERETSA-N 2 1 313.489 2.658 20 0 DFADMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369767851 428056732 /nfs/dbraw/zinc/05/67/32/428056732.db2.gz UWYJDVFHZKYBDF-NTFMERETSA-N 2 1 313.489 2.658 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C[C@H]1CCOC1)C1CC1 ZINC000346187620 428059957 /nfs/dbraw/zinc/05/99/57/428059957.db2.gz XCLABVLHMLKHCT-OAHLLOKOSA-N 2 1 312.417 2.577 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000340363544 428000910 /nfs/dbraw/zinc/00/09/10/428000910.db2.gz FYCVQDXFZFASIM-JKEDJMADSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[C@H]1c1ccccc1 ZINC000340363544 428000914 /nfs/dbraw/zinc/00/09/14/428000914.db2.gz FYCVQDXFZFASIM-JKEDJMADSA-N 2 1 300.446 2.979 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000359775450 428013285 /nfs/dbraw/zinc/01/32/85/428013285.db2.gz QNARSAHGBKLPOA-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000359775450 428013290 /nfs/dbraw/zinc/01/32/90/428013290.db2.gz QNARSAHGBKLPOA-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@H](NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCC2 ZINC000377168147 428074963 /nfs/dbraw/zinc/07/49/63/428074963.db2.gz IVUUMNZMEQLXAA-ZOCIIQOWSA-N 2 1 300.446 2.689 20 0 DFADMP C[C@H](NC[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCC2 ZINC000377168147 428074968 /nfs/dbraw/zinc/07/49/68/428074968.db2.gz IVUUMNZMEQLXAA-ZOCIIQOWSA-N 2 1 300.446 2.689 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000369883661 428084701 /nfs/dbraw/zinc/08/47/01/428084701.db2.gz UJTXVUZENBXIPD-OCCSQVGLSA-N 2 1 301.390 2.566 20 0 DFADMP CC[C@@](C)(CCO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000359955924 428091823 /nfs/dbraw/zinc/09/18/23/428091823.db2.gz CUDYBQAAGSNVCS-INIZCTEOSA-N 2 1 311.495 2.550 20 0 DFADMP CC[C@@](C)(CCO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000359955924 428091825 /nfs/dbraw/zinc/09/18/25/428091825.db2.gz CUDYBQAAGSNVCS-INIZCTEOSA-N 2 1 311.495 2.550 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000351498873 428093036 /nfs/dbraw/zinc/09/30/36/428093036.db2.gz WKSYVHPHRDOOKJ-DARAHFNDSA-N 2 1 312.417 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)n1 ZINC000351498873 428093043 /nfs/dbraw/zinc/09/30/43/428093043.db2.gz WKSYVHPHRDOOKJ-DARAHFNDSA-N 2 1 312.417 2.775 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356287113 428106005 /nfs/dbraw/zinc/10/60/05/428106005.db2.gz SRJGZAFWISWCBH-NXHRZFHOSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000356286538 428106339 /nfs/dbraw/zinc/10/63/39/428106339.db2.gz SRJGZAFWISWCBH-KBAYOESNSA-N 2 1 317.477 2.668 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000359991333 428107555 /nfs/dbraw/zinc/10/75/55/428107555.db2.gz DHIKHBAJFAZJDS-SFHVURJKSA-N 2 1 300.446 2.835 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000370015138 428110360 /nfs/dbraw/zinc/11/03/60/428110360.db2.gz BVTPOXAJJHHDJT-MRXNPFEDSA-N 2 1 318.465 2.531 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000370017838 428110726 /nfs/dbraw/zinc/11/07/26/428110726.db2.gz KYNJIHCJTCYRAH-RDJZCZTQSA-N 2 1 301.434 2.561 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853928 428112174 /nfs/dbraw/zinc/11/21/74/428112174.db2.gz PRKPBSFVDZVJOD-DGCLKSJQSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859268 428113141 /nfs/dbraw/zinc/11/31/41/428113141.db2.gz GEDKBYKBFLLWJK-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1C[C@H]2CCCC[NH+]2C1)C1CCCCC1 ZINC000370023028 428113335 /nfs/dbraw/zinc/11/33/35/428113335.db2.gz YTDMWCLNWHDHPW-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1)C1CCCCC1 ZINC000370023028 428113339 /nfs/dbraw/zinc/11/33/39/428113339.db2.gz YTDMWCLNWHDHPW-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCNC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1)C1CCCCC1 ZINC000370023028 428113344 /nfs/dbraw/zinc/11/33/44/428113344.db2.gz YTDMWCLNWHDHPW-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000351861453 428113666 /nfs/dbraw/zinc/11/36/66/428113666.db2.gz LKXWPFNOORETEK-VXGBXAGGSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000351861447 428114306 /nfs/dbraw/zinc/11/43/06/428114306.db2.gz LKXWPFNOORETEK-NEPJUHHUSA-N 2 1 302.340 2.797 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352535723 428137856 /nfs/dbraw/zinc/13/78/56/428137856.db2.gz UUJOSGUQFYDUOY-INIZCTEOSA-N 2 1 302.447 2.714 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352535723 428137862 /nfs/dbraw/zinc/13/78/62/428137862.db2.gz UUJOSGUQFYDUOY-INIZCTEOSA-N 2 1 302.447 2.714 20 0 DFADMP c1[nH]nc(-c2cccnc2)c1C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000370123378 428138397 /nfs/dbraw/zinc/13/83/97/428138397.db2.gz RYPRYVYXAKXYGB-UHFFFAOYSA-N 2 1 311.433 2.578 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000377489499 428138403 /nfs/dbraw/zinc/13/84/03/428138403.db2.gz AHPKCVVHANLQHV-OAHLLOKOSA-N 2 1 311.364 2.517 20 0 DFADMP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2O1 ZINC000352535874 428138474 /nfs/dbraw/zinc/13/84/74/428138474.db2.gz WPUFFUKQRWNEKP-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2O1 ZINC000352535874 428138478 /nfs/dbraw/zinc/13/84/78/428138478.db2.gz WPUFFUKQRWNEKP-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP COc1cc2c(c(C[N@@H+]3CCCC[C@H]3CC[NH3+])c1)O[C@@H](C)C2 ZINC000352533953 428140162 /nfs/dbraw/zinc/14/01/62/428140162.db2.gz BPEZGWUZPXPFQI-BBRMVZONSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCCC[C@H]3CC[NH3+])c1)O[C@@H](C)C2 ZINC000352533953 428140169 /nfs/dbraw/zinc/14/01/69/428140169.db2.gz BPEZGWUZPXPFQI-BBRMVZONSA-N 2 1 304.434 2.722 20 0 DFADMP c1cnc(Oc2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC000352539895 428141577 /nfs/dbraw/zinc/14/15/77/428141577.db2.gz DSJOKRPYGJKCKQ-LJQANCHMSA-N 2 1 324.428 2.844 20 0 DFADMP c1cnc(Oc2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cc2)cn1 ZINC000352539895 428141585 /nfs/dbraw/zinc/14/15/85/428141585.db2.gz DSJOKRPYGJKCKQ-LJQANCHMSA-N 2 1 324.428 2.844 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000360077137 428148692 /nfs/dbraw/zinc/14/86/92/428148692.db2.gz XVILTEOMQWFNFJ-KRWDZBQOSA-N 2 1 311.514 2.689 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC000377617139 428173341 /nfs/dbraw/zinc/17/33/41/428173341.db2.gz DXGCSAOJLPZRPV-KRWDZBQOSA-N 2 1 314.408 2.991 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356434519 428177235 /nfs/dbraw/zinc/17/72/35/428177235.db2.gz NZRAYBSIMOOPSB-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@H]1C[C@H]1C ZINC000414110813 428208515 /nfs/dbraw/zinc/20/85/15/428208515.db2.gz ORJICROOVAIBDW-PDWMJMLSSA-N 2 1 302.462 2.777 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000352702516 428212931 /nfs/dbraw/zinc/21/29/31/428212931.db2.gz YGEPWBXIMRKJCR-LJQANCHMSA-N 2 1 315.461 2.554 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414132713 428214425 /nfs/dbraw/zinc/21/44/25/428214425.db2.gz ZREVOWJWLDOOMM-XGXHKWSGSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@H]1C ZINC000414132713 428214429 /nfs/dbraw/zinc/21/44/29/428214429.db2.gz ZREVOWJWLDOOMM-XGXHKWSGSA-N 2 1 302.462 2.648 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@@H](C)C1 ZINC000414144361 428216689 /nfs/dbraw/zinc/21/66/89/428216689.db2.gz MPGJFCQUEKITHQ-WNRNVDISSA-N 2 1 312.498 2.669 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352713392 428216670 /nfs/dbraw/zinc/21/66/70/428216670.db2.gz DDRCBIPJYQQRNI-VXNCWWDNSA-N 2 1 324.509 2.623 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360237172 428218142 /nfs/dbraw/zinc/21/81/42/428218142.db2.gz GLNMVJYJSQWJAE-BMGDILEWSA-N 2 1 308.441 2.846 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360237172 428218145 /nfs/dbraw/zinc/21/81/45/428218145.db2.gz GLNMVJYJSQWJAE-BMGDILEWSA-N 2 1 308.441 2.846 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000377758717 428219524 /nfs/dbraw/zinc/21/95/24/428219524.db2.gz DITRYDWEKAHJLJ-OALUTQOASA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000377758717 428219529 /nfs/dbraw/zinc/21/95/29/428219529.db2.gz DITRYDWEKAHJLJ-OALUTQOASA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1cc2c(s1)CCCC2 ZINC000360242310 428220159 /nfs/dbraw/zinc/22/01/59/428220159.db2.gz NVBACTIJHOEBNK-UKRRQHHQSA-N 2 1 308.491 2.734 20 0 DFADMP COc1cc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c(F)cn1 ZINC000414181436 428228353 /nfs/dbraw/zinc/22/83/53/428228353.db2.gz MDGWTHXORKEWNE-NSHDSACASA-N 2 1 300.337 2.728 20 0 DFADMP C[NH+](C)CCc1ccccc1NCc1ncc(C[NH+](C)C)s1 ZINC000352741449 428228588 /nfs/dbraw/zinc/22/85/88/428228588.db2.gz FZYLUZZPPFGJNN-UHFFFAOYSA-N 2 1 318.490 2.921 20 0 DFADMP CC(C)[NH+](CCCNCc1ncc(C[NH+](C)C)s1)C(C)C ZINC000352754124 428231670 /nfs/dbraw/zinc/23/16/70/428231670.db2.gz GKXPPJVOAIAIFB-UHFFFAOYSA-N 2 1 312.527 2.803 20 0 DFADMP CCc1ccc(CCN2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000360284810 428235458 /nfs/dbraw/zinc/23/54/58/428235458.db2.gz HKLPBPWMCAZUJS-MRXNPFEDSA-N 2 1 304.478 2.569 20 0 DFADMP CCc1ccc(CC[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000360284810 428235461 /nfs/dbraw/zinc/23/54/61/428235461.db2.gz HKLPBPWMCAZUJS-MRXNPFEDSA-N 2 1 304.478 2.569 20 0 DFADMP CCc1ccc(CC[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000360284810 428235467 /nfs/dbraw/zinc/23/54/67/428235467.db2.gz HKLPBPWMCAZUJS-MRXNPFEDSA-N 2 1 304.478 2.569 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)[C@@H](C)C1 ZINC000414230405 428237893 /nfs/dbraw/zinc/23/78/93/428237893.db2.gz NXAYREFTAUVLKZ-FZKCQIBNSA-N 2 1 300.512 2.607 20 0 DFADMP C[NH+](C)CC[C@@H](NCc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000352761280 428238340 /nfs/dbraw/zinc/23/83/40/428238340.db2.gz VHUFRZWYETYRFY-CQSZACIVSA-N 2 1 312.527 2.661 20 0 DFADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000377667710 428187937 /nfs/dbraw/zinc/18/79/37/428187937.db2.gz DOTHTAAMCWFKMA-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP CN1CC[C@H](NCC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000377667710 428187940 /nfs/dbraw/zinc/18/79/40/428187940.db2.gz DOTHTAAMCWFKMA-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP CN1CC[C@H](NCC[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000377667710 428187945 /nfs/dbraw/zinc/18/79/45/428187945.db2.gz DOTHTAAMCWFKMA-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000414056609 428193062 /nfs/dbraw/zinc/19/30/62/428193062.db2.gz DQLASSIXMCEUSS-PMPSAXMXSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000414056609 428193068 /nfs/dbraw/zinc/19/30/68/428193068.db2.gz DQLASSIXMCEUSS-PMPSAXMXSA-N 2 1 305.466 2.731 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000370366163 428193607 /nfs/dbraw/zinc/19/36/07/428193607.db2.gz OJOGKOMTOLJHAU-APWZRJJASA-N 2 1 310.445 2.519 20 0 DFADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000414066942 428195336 /nfs/dbraw/zinc/19/53/36/428195336.db2.gz PVMAYNLZMHXKCJ-UMGGQSCQSA-N 2 1 315.505 2.999 20 0 DFADMP COCC[NH+]1CCC([NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352819532 428263791 /nfs/dbraw/zinc/26/37/91/428263791.db2.gz PMXKNFAMJDSBLC-IHWYPQMZSA-N 2 1 310.388 2.678 20 0 DFADMP CSc1cc2c(cc1C[N@H+](C)CC(C)(C)C[NH3+])OCCO2 ZINC000346671511 428265064 /nfs/dbraw/zinc/26/50/64/428265064.db2.gz JWBHLMARPKCZJN-UHFFFAOYSA-N 2 1 310.463 2.596 20 0 DFADMP CSc1cc2c(cc1C[N@@H+](C)CC(C)(C)C[NH3+])OCCO2 ZINC000346671511 428265067 /nfs/dbraw/zinc/26/50/67/428265067.db2.gz JWBHLMARPKCZJN-UHFFFAOYSA-N 2 1 310.463 2.596 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000346667880 428265197 /nfs/dbraw/zinc/26/51/97/428265197.db2.gz FIMZWWJTNTZYNA-GOSISDBHSA-N 2 1 300.450 2.737 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000346667880 428265204 /nfs/dbraw/zinc/26/52/04/428265204.db2.gz FIMZWWJTNTZYNA-GOSISDBHSA-N 2 1 300.450 2.737 20 0 DFADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000414351941 428266833 /nfs/dbraw/zinc/26/68/33/428266833.db2.gz WHMVMHRYJBRSKE-IBGZPJMESA-N 2 1 319.468 2.516 20 0 DFADMP COc1cc2c(c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1)O[C@@H](C)C2 ZINC000346679400 428270025 /nfs/dbraw/zinc/27/00/25/428270025.db2.gz MRDLGBBJTDXNOK-SUMWQHHRSA-N 2 1 306.450 2.824 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1)O[C@@H](C)C2 ZINC000346679400 428270028 /nfs/dbraw/zinc/27/00/28/428270028.db2.gz MRDLGBBJTDXNOK-SUMWQHHRSA-N 2 1 306.450 2.824 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346679828 428271977 /nfs/dbraw/zinc/27/19/77/428271977.db2.gz MDANZWTZRLIAQE-GOSISDBHSA-N 2 1 300.450 2.986 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000346679828 428271982 /nfs/dbraw/zinc/27/19/82/428271982.db2.gz MDANZWTZRLIAQE-GOSISDBHSA-N 2 1 300.450 2.986 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000346695322 428277466 /nfs/dbraw/zinc/27/74/66/428277466.db2.gz ZSMYHYAQWWVBOI-STQMWFEESA-N 2 1 318.852 2.910 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000346695322 428277472 /nfs/dbraw/zinc/27/74/72/428277472.db2.gz ZSMYHYAQWWVBOI-STQMWFEESA-N 2 1 318.852 2.910 20 0 DFADMP Cc1ccccc1[C@H](C)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000370732878 428286004 /nfs/dbraw/zinc/28/60/04/428286004.db2.gz SJHLHRKJLSHNRW-ROUUACIJSA-N 2 1 301.478 2.768 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CCC4CC4)CC3)C2)cc1 ZINC000352881492 428292785 /nfs/dbraw/zinc/29/27/85/428292785.db2.gz ZRTNRKDOFYEDJG-FQEVSTJZSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000342079073 428292906 /nfs/dbraw/zinc/29/29/06/428292906.db2.gz DGXLUTFSWFKFTM-UOVPBQLFSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1C ZINC000342079073 428292909 /nfs/dbraw/zinc/29/29/09/428292909.db2.gz DGXLUTFSWFKFTM-UOVPBQLFSA-N 2 1 315.461 2.690 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000360426992 428293287 /nfs/dbraw/zinc/29/32/87/428293287.db2.gz IHKCTGCBJPZTTB-DNVCBOLYSA-N 2 1 319.468 2.720 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000360426992 428293293 /nfs/dbraw/zinc/29/32/93/428293293.db2.gz IHKCTGCBJPZTTB-DNVCBOLYSA-N 2 1 319.468 2.720 20 0 DFADMP Cc1occc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000414436392 428295447 /nfs/dbraw/zinc/29/54/47/428295447.db2.gz AISDKAGLMRVOQU-UHFFFAOYSA-N 2 1 303.406 2.603 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000342095275 428297126 /nfs/dbraw/zinc/29/71/26/428297126.db2.gz FSTLGKWJYLSFJM-YOKBYHGQSA-N 2 1 319.424 2.520 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000342095275 428297130 /nfs/dbraw/zinc/29/71/30/428297130.db2.gz FSTLGKWJYLSFJM-YOKBYHGQSA-N 2 1 319.424 2.520 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000377840948 428242654 /nfs/dbraw/zinc/24/26/54/428242654.db2.gz XGZADXOOJIMOGX-BBRMVZONSA-N 2 1 300.406 2.586 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccs1 ZINC000370577412 428243481 /nfs/dbraw/zinc/24/34/81/428243481.db2.gz GFJAXHQAUSWJJV-HLLBOEOZSA-N 2 1 308.491 2.770 20 0 DFADMP Cc1nocc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352890062 428297788 /nfs/dbraw/zinc/29/77/88/428297788.db2.gz ZOGNBNIRBIAVEN-UHFFFAOYSA-N 2 1 300.406 2.726 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](CC)COC ZINC000414262478 428246006 /nfs/dbraw/zinc/24/60/06/428246006.db2.gz IUHZHWUGDYWHQV-CEXWTWQISA-N 2 1 320.477 2.538 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](CC)COC ZINC000414262478 428246011 /nfs/dbraw/zinc/24/60/11/428246011.db2.gz IUHZHWUGDYWHQV-CEXWTWQISA-N 2 1 320.477 2.538 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2[C@@H]3Cc4ccccc4[C@H]23)s1 ZINC000352781454 428246301 /nfs/dbraw/zinc/24/63/01/428246301.db2.gz ZGBWJDIXTKGOCN-JZXOWHBKSA-N 2 1 313.470 2.880 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000356596779 428247616 /nfs/dbraw/zinc/24/76/16/428247616.db2.gz LFBWEUQHRUXRFB-IRXDYDNUSA-N 2 1 319.493 2.744 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000356596779 428247623 /nfs/dbraw/zinc/24/76/23/428247623.db2.gz LFBWEUQHRUXRFB-IRXDYDNUSA-N 2 1 319.493 2.744 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356596779 428247628 /nfs/dbraw/zinc/24/76/28/428247628.db2.gz LFBWEUQHRUXRFB-IRXDYDNUSA-N 2 1 319.493 2.744 20 0 DFADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414273935 428248429 /nfs/dbraw/zinc/24/84/29/428248429.db2.gz UEWGGKWANVXGLD-QXAKKESOSA-N 2 1 320.477 2.538 20 0 DFADMP CCOC[C@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414273935 428248434 /nfs/dbraw/zinc/24/84/34/428248434.db2.gz UEWGGKWANVXGLD-QXAKKESOSA-N 2 1 320.477 2.538 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377863455 428250586 /nfs/dbraw/zinc/25/05/86/428250586.db2.gz GNLPZUZFTRPTID-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377863455 428250589 /nfs/dbraw/zinc/25/05/89/428250589.db2.gz GNLPZUZFTRPTID-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@H](C)C1 ZINC000414282317 428251207 /nfs/dbraw/zinc/25/12/07/428251207.db2.gz HLQZBBRHFVJPMF-WCXIOVBPSA-N 2 1 300.462 2.994 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346646607 428254829 /nfs/dbraw/zinc/25/48/29/428254829.db2.gz OQHKFULNUBMGCY-HOCLYGCPSA-N 2 1 306.450 2.899 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000377886769 428255417 /nfs/dbraw/zinc/25/54/17/428255417.db2.gz AWACWJUCOMFXDW-QGZVFWFLSA-N 2 1 304.482 2.802 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360334164 428257355 /nfs/dbraw/zinc/25/73/55/428257355.db2.gz CAVFLNLSIUNGJG-NZSAHSFTSA-N 2 1 304.478 2.894 20 0 DFADMP CC1(C[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC000352815933 428259046 /nfs/dbraw/zinc/25/90/46/428259046.db2.gz MBOLMDXCIHZCJE-IBGZPJMESA-N 2 1 300.446 2.621 20 0 DFADMP CC1(C[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC000352815933 428259048 /nfs/dbraw/zinc/25/90/48/428259048.db2.gz MBOLMDXCIHZCJE-IBGZPJMESA-N 2 1 300.446 2.621 20 0 DFADMP CC1(C[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC000352815933 428259049 /nfs/dbraw/zinc/25/90/49/428259049.db2.gz MBOLMDXCIHZCJE-IBGZPJMESA-N 2 1 300.446 2.621 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)[C@H]1Oc1ccccc1 ZINC000346658368 428261126 /nfs/dbraw/zinc/26/11/26/428261126.db2.gz XYUCDLJCAXCKHP-IPMKNSEASA-N 2 1 318.461 2.685 20 0 DFADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000414328089 428261790 /nfs/dbraw/zinc/26/17/90/428261790.db2.gz PRPBVWIPMUVTIY-GOSISDBHSA-N 2 1 324.472 2.693 20 0 DFADMP CCc1ncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000414328089 428261794 /nfs/dbraw/zinc/26/17/94/428261794.db2.gz PRPBVWIPMUVTIY-GOSISDBHSA-N 2 1 324.472 2.693 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000346660326 428261971 /nfs/dbraw/zinc/26/19/71/428261971.db2.gz ANVQVSQVOBDFHJ-UHFFFAOYSA-N 2 1 302.422 2.502 20 0 DFADMP Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC000352912963 428309227 /nfs/dbraw/zinc/30/92/27/428309227.db2.gz GJHATGCNIASYAX-YIONKMFJSA-N 2 1 319.424 2.630 20 0 DFADMP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000352928076 428316684 /nfs/dbraw/zinc/31/66/84/428316684.db2.gz BRULBIDXJFUUTB-XJKSGUPXSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@H]1C[N@H+](C2CC2)C[C@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000352928076 428316689 /nfs/dbraw/zinc/31/66/89/428316689.db2.gz BRULBIDXJFUUTB-XJKSGUPXSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000352928072 428317928 /nfs/dbraw/zinc/31/79/28/428317928.db2.gz BRULBIDXJFUUTB-CJNGLKHVSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000352928072 428317934 /nfs/dbraw/zinc/31/79/34/428317934.db2.gz BRULBIDXJFUUTB-CJNGLKHVSA-N 2 1 303.450 2.831 20 0 DFADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342152813 428325278 /nfs/dbraw/zinc/32/52/78/428325278.db2.gz YTBLABFXXBXGIE-BMGDILEWSA-N 2 1 304.434 2.523 20 0 DFADMP Cc1cccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)c1 ZINC000352956881 428327333 /nfs/dbraw/zinc/32/73/33/428327333.db2.gz LOKGXAUBDLUOMD-KDURUIRLSA-N 2 1 315.505 2.985 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)C[C@@H]21 ZINC000346813292 428328117 /nfs/dbraw/zinc/32/81/17/428328117.db2.gz AMLNEUVMBZIWHW-HZSPNIEDSA-N 2 1 316.474 2.832 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccn4)s3)C[C@H]21 ZINC000346816323 428330211 /nfs/dbraw/zinc/33/02/11/428330211.db2.gz AIEJYFCFJNLPND-BPLDGKMQSA-N 2 1 314.458 2.764 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352972785 428330344 /nfs/dbraw/zinc/33/03/44/428330344.db2.gz YMWMHKZCAFYWJD-RAUXBKROSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352972785 428330349 /nfs/dbraw/zinc/33/03/49/428330349.db2.gz YMWMHKZCAFYWJD-RAUXBKROSA-N 2 1 315.505 2.827 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352972785 428330361 /nfs/dbraw/zinc/33/03/61/428330361.db2.gz YMWMHKZCAFYWJD-RAUXBKROSA-N 2 1 315.505 2.827 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352972785 428330368 /nfs/dbraw/zinc/33/03/68/428330368.db2.gz YMWMHKZCAFYWJD-RAUXBKROSA-N 2 1 315.505 2.827 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000346826744 428333563 /nfs/dbraw/zinc/33/35/63/428333563.db2.gz MNIFVNMOTYQVDD-JQHSSLGASA-N 2 1 310.445 2.944 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346829854 428333878 /nfs/dbraw/zinc/33/38/78/428333878.db2.gz ODLCFBXXDYCJLS-YDHLFZDLSA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346829854 428333881 /nfs/dbraw/zinc/33/38/81/428333881.db2.gz ODLCFBXXDYCJLS-YDHLFZDLSA-N 2 1 324.852 2.916 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)C[C@@H]12 ZINC000346826737 428334169 /nfs/dbraw/zinc/33/41/69/428334169.db2.gz MMPUXPOGZYPBQJ-CKEIUWERSA-N 2 1 303.425 2.595 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]12 ZINC000346827546 428334676 /nfs/dbraw/zinc/33/46/76/428334676.db2.gz SOAKCJRQDCHAEZ-DAXOMENPSA-N 2 1 316.836 2.899 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@@H]21 ZINC000346833498 428336127 /nfs/dbraw/zinc/33/61/27/428336127.db2.gz RPTNOXWVAKCYLW-BEAPCOKYSA-N 2 1 307.463 2.554 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc([C@@H]4CCCO4)s3)C[C@@H]21 ZINC000346833498 428336130 /nfs/dbraw/zinc/33/61/30/428336130.db2.gz RPTNOXWVAKCYLW-BEAPCOKYSA-N 2 1 307.463 2.554 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000346830163 428336947 /nfs/dbraw/zinc/33/69/47/428336947.db2.gz KAULAGWDPZSCNJ-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@H]12 ZINC000346832619 428338233 /nfs/dbraw/zinc/33/82/33/428338233.db2.gz LQBCJVSZERDMQT-RRQGHBQHSA-N 2 1 316.836 2.695 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2ccccc2)n1 ZINC000346838367 428340451 /nfs/dbraw/zinc/34/04/51/428340451.db2.gz XBGVGBWUUKMSQP-SZMVWBNQSA-N 2 1 310.445 2.646 20 0 DFADMP CCc1nocc1C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000352992518 428341511 /nfs/dbraw/zinc/34/15/11/428341511.db2.gz XENIZQXXZJJWLP-AWEZNQCLSA-N 2 1 300.406 2.759 20 0 DFADMP CCc1nocc1CN1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000352992518 428341516 /nfs/dbraw/zinc/34/15/16/428341516.db2.gz XENIZQXXZJJWLP-AWEZNQCLSA-N 2 1 300.406 2.759 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]12 ZINC000346843139 428341726 /nfs/dbraw/zinc/34/17/26/428341726.db2.gz XFQQMZIWVWNRDO-DAXOMENPSA-N 2 1 316.836 2.899 20 0 DFADMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1OC(C)C ZINC000346843589 428341750 /nfs/dbraw/zinc/34/17/50/428341750.db2.gz KICIBFWGHBJKFG-CWRNSKLLSA-N 2 1 304.434 2.652 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@H]12 ZINC000346845127 428343310 /nfs/dbraw/zinc/34/33/10/428343310.db2.gz ZIFHWXLYNQEKDZ-NTZNESFSSA-N 2 1 300.324 2.596 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@H]12 ZINC000346845127 428343315 /nfs/dbraw/zinc/34/33/15/428343315.db2.gz ZIFHWXLYNQEKDZ-NTZNESFSSA-N 2 1 300.324 2.596 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C2CCCCC2)n1 ZINC000346858788 428347565 /nfs/dbraw/zinc/34/75/65/428347565.db2.gz RXYNDGSZDWGMRE-BHYGNILZSA-N 2 1 302.466 2.637 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OCC(C)C ZINC000346855627 428347956 /nfs/dbraw/zinc/34/79/56/428347956.db2.gz UYZUNPCKFWVYHC-ULQDDVLXSA-N 2 1 318.461 2.899 20 0 DFADMP COCC[NH+]1CCC([NH2+]C2CC(C)(c3ccccc3)C2)CC1 ZINC000346743887 428300099 /nfs/dbraw/zinc/30/00/99/428300099.db2.gz QOVAZKRCBBQOPY-UHFFFAOYSA-N 2 1 302.462 2.807 20 0 DFADMP CCc1ncc(CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000414448077 428302903 /nfs/dbraw/zinc/30/29/03/428302903.db2.gz YPASNCLVVGTKDQ-YJBOKZPZSA-N 2 1 310.445 2.792 20 0 DFADMP CCc1ncc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000414448077 428302908 /nfs/dbraw/zinc/30/29/08/428302908.db2.gz YPASNCLVVGTKDQ-YJBOKZPZSA-N 2 1 310.445 2.792 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000342110511 428303940 /nfs/dbraw/zinc/30/39/40/428303940.db2.gz SMMFRGOUMHPWJG-NXOAAHMSSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000342110511 428303945 /nfs/dbraw/zinc/30/39/45/428303945.db2.gz SMMFRGOUMHPWJG-NXOAAHMSSA-N 2 1 315.461 2.690 20 0 DFADMP COC(=O)[C@@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]1CCCC2 ZINC000342110120 428304004 /nfs/dbraw/zinc/30/40/04/428304004.db2.gz CVQKWGUBBJCHQY-AEFFLSMTSA-N 2 1 308.466 2.528 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346972408 428390298 /nfs/dbraw/zinc/39/02/98/428390298.db2.gz HHDRBDQQIANXLI-KRWDZBQOSA-N 3 1 307.526 2.963 20 0 DFADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414745694 428392416 /nfs/dbraw/zinc/39/24/16/428392416.db2.gz RCXDJOFSXRPYBJ-OKZBNKHCSA-N 2 1 301.478 2.975 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346983817 428395167 /nfs/dbraw/zinc/39/51/67/428395167.db2.gz NSZVNWTZPNOWDB-HKUYNNGSSA-N 3 1 307.526 2.963 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000378435534 428395844 /nfs/dbraw/zinc/39/58/44/428395844.db2.gz NWKGHUGPVPPVCR-HXUWFJFHSA-N 2 1 315.505 2.708 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684755 428397516 /nfs/dbraw/zinc/39/75/16/428397516.db2.gz GXSKPQZDIQHBGZ-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684755 428397521 /nfs/dbraw/zinc/39/75/21/428397521.db2.gz GXSKPQZDIQHBGZ-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684755 428397524 /nfs/dbraw/zinc/39/75/24/428397524.db2.gz GXSKPQZDIQHBGZ-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684755 428397531 /nfs/dbraw/zinc/39/75/31/428397531.db2.gz GXSKPQZDIQHBGZ-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684755 428397536 /nfs/dbraw/zinc/39/75/36/428397536.db2.gz GXSKPQZDIQHBGZ-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414770916 428398390 /nfs/dbraw/zinc/39/83/90/428398390.db2.gz PVKJKKJMKGAYTL-GASCZTMLSA-N 2 1 314.458 2.637 20 0 DFADMP CCOCc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414771267 428398476 /nfs/dbraw/zinc/39/84/76/428398476.db2.gz QTKYGOYXONQBIP-CALCHBBNSA-N 2 1 318.461 2.663 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1F ZINC000414769033 428399021 /nfs/dbraw/zinc/39/90/21/428399021.db2.gz MYURMNYJJYISON-OIISXLGYSA-N 2 1 320.452 2.944 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)s2)cn1 ZINC000414773531 428399779 /nfs/dbraw/zinc/39/97/79/428399779.db2.gz XBSSTEXOOHPYDL-OKILXGFUSA-N 2 1 316.474 2.580 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000414771994 428400151 /nfs/dbraw/zinc/40/01/51/428400151.db2.gz BBAPZCPETCCPNP-QZTJIDSGSA-N 2 1 324.472 2.909 20 0 DFADMP CC1CCC([NH+]2CCC([N@@H+](C)CCn3cccn3)CC2)CC1 ZINC000360690189 428400763 /nfs/dbraw/zinc/40/07/63/428400763.db2.gz ICOBJDVBRABHKE-UHFFFAOYSA-N 2 1 304.482 2.858 20 0 DFADMP Cn1ccnc1C[N@@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000371686980 428400778 /nfs/dbraw/zinc/40/07/78/428400778.db2.gz LSEILNWGRKLMDX-UHFFFAOYSA-N 2 1 321.428 2.681 20 0 DFADMP Cn1ccnc1C[N@H+]1CCCN(c2cc[nH+]c3ccccc32)CC1 ZINC000371686980 428400782 /nfs/dbraw/zinc/40/07/82/428400782.db2.gz LSEILNWGRKLMDX-UHFFFAOYSA-N 2 1 321.428 2.681 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774044 428402210 /nfs/dbraw/zinc/40/22/10/428402210.db2.gz FCWZPWGANTXAHT-ROUUACIJSA-N 2 1 310.445 2.694 20 0 DFADMP OCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000346998836 428402744 /nfs/dbraw/zinc/40/27/44/428402744.db2.gz XYMGJYYVKKRADF-ZDUSSCGKSA-N 2 1 317.260 2.787 20 0 DFADMP OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC[NH2+]C1 ZINC000346998836 428402745 /nfs/dbraw/zinc/40/27/45/428402745.db2.gz XYMGJYYVKKRADF-ZDUSSCGKSA-N 2 1 317.260 2.787 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779616 428403189 /nfs/dbraw/zinc/40/31/89/428403189.db2.gz KOIZDXCLRPKBBH-IRXDYDNUSA-N 2 1 318.461 2.533 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414778565 428403245 /nfs/dbraw/zinc/40/32/45/428403245.db2.gz JCMGGNQXVUGYGD-HUUCEWRRSA-N 2 1 322.522 2.811 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CC12CCOCC2 ZINC000414780918 428403922 /nfs/dbraw/zinc/40/39/22/428403922.db2.gz MDKNMEKRCFFISA-DJYNDVHFSA-N 2 1 322.399 2.665 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783143 428407190 /nfs/dbraw/zinc/40/71/90/428407190.db2.gz PKCWOJIVEWNVJM-IAGOWNOFSA-N 2 1 310.445 2.694 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414781840 428407639 /nfs/dbraw/zinc/40/76/39/428407639.db2.gz NMLWYGVKNMOGJF-ROUUACIJSA-N 2 1 310.445 2.694 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000360706605 428408214 /nfs/dbraw/zinc/40/82/14/428408214.db2.gz BEVUUBUCVSQMOF-GDBMZVCRSA-N 2 1 318.461 2.665 20 0 DFADMP CC(C)(C)c1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cs1 ZINC000414788649 428409452 /nfs/dbraw/zinc/40/94/52/428409452.db2.gz NBLQRQPTPUNOOJ-CABCVRRESA-N 2 1 323.506 2.769 20 0 DFADMP c1c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789967 428410308 /nfs/dbraw/zinc/41/03/08/428410308.db2.gz ZCTUKYDKRXJXPW-SJORKVTESA-N 2 1 310.445 2.898 20 0 DFADMP CCCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414794689 428413115 /nfs/dbraw/zinc/41/31/15/428413115.db2.gz VQOQAXURKWYBAM-QGZVFWFLSA-N 2 1 318.461 2.663 20 0 DFADMP CC(C)(C)OC(=O)C1CCC([NH2+][C@@H]2CCc3[nH+]ccn3C2)CC1 ZINC000378334116 428367768 /nfs/dbraw/zinc/36/77/68/428367768.db2.gz OHTSRBUSKAWTQU-YMAMQOFZSA-N 2 1 319.449 2.688 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000414660393 428367742 /nfs/dbraw/zinc/36/77/42/428367742.db2.gz NZJYNIVJLKYDQI-UKRRQHHQSA-N 2 1 316.424 2.879 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360615423 428367929 /nfs/dbraw/zinc/36/79/29/428367929.db2.gz RJDCZFVTSBWFPF-KFWWJZLASA-N 2 1 300.450 2.956 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360615423 428367931 /nfs/dbraw/zinc/36/79/31/428367931.db2.gz RJDCZFVTSBWFPF-KFWWJZLASA-N 2 1 300.450 2.956 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000356985373 428367934 /nfs/dbraw/zinc/36/79/34/428367934.db2.gz NZKCITJWVMRBHQ-XWSJACJDSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360615421 428368469 /nfs/dbraw/zinc/36/84/69/428368469.db2.gz RJDCZFVTSBWFPF-ILXRZTDVSA-N 2 1 300.450 2.956 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360615421 428368476 /nfs/dbraw/zinc/36/84/76/428368476.db2.gz RJDCZFVTSBWFPF-ILXRZTDVSA-N 2 1 300.450 2.956 20 0 DFADMP Cc1cccnc1C(C)(C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000353057647 428371822 /nfs/dbraw/zinc/37/18/22/428371822.db2.gz BTQFJVBMOHNCCG-UHFFFAOYSA-N 2 1 318.490 2.976 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNc1[nH+]cnc2[nH]ccc21 ZINC000357035870 428371849 /nfs/dbraw/zinc/37/18/49/428371849.db2.gz IWMBDSWHTXLGFM-UHFFFAOYSA-N 2 1 309.417 3.412 20 0 DFADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414676046 428373401 /nfs/dbraw/zinc/37/34/01/428373401.db2.gz MTPNIUIEMABPTO-RYRKJORJSA-N 2 1 318.461 2.686 20 0 DFADMP COCC[N@@H+](CCCc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414685619 428375065 /nfs/dbraw/zinc/37/50/65/428375065.db2.gz CZPQBJBZGMKMAC-MJGOQNOKSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@H]1C[C@H](CN2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688840 428376178 /nfs/dbraw/zinc/37/61/78/428376178.db2.gz JSVQAVPKJMWFHU-PKOBYXMFSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+]2CCCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688840 428376186 /nfs/dbraw/zinc/37/61/86/428376186.db2.gz JSVQAVPKJMWFHU-PKOBYXMFSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@H]1C[C@H](C[N@H+]2CCCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688840 428376192 /nfs/dbraw/zinc/37/61/92/428376192.db2.gz JSVQAVPKJMWFHU-PKOBYXMFSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414698958 428378379 /nfs/dbraw/zinc/37/83/79/428378379.db2.gz REOBLROIOFHMAJ-SCTDSRPQSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692777 428378685 /nfs/dbraw/zinc/37/86/85/428378685.db2.gz LQHKWOACJQAWPG-GUDVDZBRSA-N 3 1 307.526 2.963 20 0 DFADMP C[N@@H+](CCCc1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371258188 428380348 /nfs/dbraw/zinc/38/03/48/428380348.db2.gz LRXJEZMPXPQZSM-FQEVSTJZSA-N 2 1 315.505 2.720 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414701180 428381397 /nfs/dbraw/zinc/38/13/97/428381397.db2.gz UDXZDVMVAUAZMX-IIAWOOMASA-N 2 1 302.418 2.940 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000378368252 428381541 /nfs/dbraw/zinc/38/15/41/428381541.db2.gz GHEZQEWTWCPZGN-IPMKNSEASA-N 2 1 302.462 2.987 20 0 DFADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414704410 428381615 /nfs/dbraw/zinc/38/16/15/428381615.db2.gz NFRPODQLQQKTFQ-NZSAHSFTSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414702562 428381648 /nfs/dbraw/zinc/38/16/48/428381648.db2.gz HZODSBPREWCYCZ-RBSFLKMASA-N 2 1 324.469 2.623 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414702562 428381656 /nfs/dbraw/zinc/38/16/56/428381656.db2.gz HZODSBPREWCYCZ-RBSFLKMASA-N 2 1 324.469 2.623 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000414704220 428382006 /nfs/dbraw/zinc/38/20/06/428382006.db2.gz CZGVNHDTGBVGME-FUHWJXTLSA-N 2 1 316.493 2.618 20 0 DFADMP C[C@@H](C(=O)NCCCCC[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357090522 428382111 /nfs/dbraw/zinc/38/21/11/428382111.db2.gz RZJNRWUWQDTQLR-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC3(C2)CCCCCC3)C1 ZINC000414712446 428383641 /nfs/dbraw/zinc/38/36/41/428383641.db2.gz UINWVHHMKDEZMP-KRWDZBQOSA-N 2 1 321.509 2.620 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000371335194 428383742 /nfs/dbraw/zinc/38/37/42/428383742.db2.gz JDERKZPMCTZPQX-SFHVURJKSA-N 2 1 323.431 2.565 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(F)cc(F)c3)C2)CC1 ZINC000371335194 428383748 /nfs/dbraw/zinc/38/37/48/428383748.db2.gz JDERKZPMCTZPQX-SFHVURJKSA-N 2 1 323.431 2.565 20 0 DFADMP Cc1cc([C@@H]2C[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)CCO2)ccc1F ZINC000414718546 428384714 /nfs/dbraw/zinc/38/47/14/428384714.db2.gz ZHNZEYMXQFILQK-MPGHIAIKSA-N 2 1 306.425 2.896 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)NC1CCN(CC(F)(F)F)CC1 ZINC000353106179 428385475 /nfs/dbraw/zinc/38/54/75/428385475.db2.gz GUSOPDJFKSMAMP-CYBMUJFWSA-N 2 1 309.420 2.723 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC1CCN(CC(F)(F)F)CC1 ZINC000353106179 428385482 /nfs/dbraw/zinc/38/54/82/428385482.db2.gz GUSOPDJFKSMAMP-CYBMUJFWSA-N 2 1 309.420 2.723 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000353106179 428385490 /nfs/dbraw/zinc/38/54/90/428385490.db2.gz GUSOPDJFKSMAMP-CYBMUJFWSA-N 2 1 309.420 2.723 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000353106179 428385494 /nfs/dbraw/zinc/38/54/94/428385494.db2.gz GUSOPDJFKSMAMP-CYBMUJFWSA-N 2 1 309.420 2.723 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414854644 428434667 /nfs/dbraw/zinc/43/46/67/428434667.db2.gz ZRIMPOWNSFNRHJ-WMLDXEAASA-N 2 1 303.450 2.869 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414856714 428435582 /nfs/dbraw/zinc/43/55/82/428435582.db2.gz ZJJSRBQMQYCERX-FUHWJXTLSA-N 2 1 306.450 2.707 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414856718 428436194 /nfs/dbraw/zinc/43/61/94/428436194.db2.gz ZJJSRBQMQYCERX-WMZOPIPTSA-N 2 1 306.450 2.707 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000347087149 428439769 /nfs/dbraw/zinc/43/97/69/428439769.db2.gz DMUXJWOJNDQTBX-LBPRGKRZSA-N 2 1 304.825 2.521 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000347087149 428439773 /nfs/dbraw/zinc/43/97/73/428439773.db2.gz DMUXJWOJNDQTBX-LBPRGKRZSA-N 2 1 304.825 2.521 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347090426 428440442 /nfs/dbraw/zinc/44/04/42/428440442.db2.gz GBYXKNZDUXDOOP-OLZOCXBDSA-N 2 1 304.463 2.708 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347098897 428445109 /nfs/dbraw/zinc/44/51/09/428445109.db2.gz IXAYDEHCLHVTJI-SGTLLEGYSA-N 2 1 316.424 2.797 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347098897 428445112 /nfs/dbraw/zinc/44/51/12/428445112.db2.gz IXAYDEHCLHVTJI-SGTLLEGYSA-N 2 1 316.424 2.797 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000347102525 428446646 /nfs/dbraw/zinc/44/66/46/428446646.db2.gz MJZFTGWGISWWEK-UHFFFAOYSA-N 2 1 311.429 2.904 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357241514 428449995 /nfs/dbraw/zinc/44/99/95/428449995.db2.gz XLJYWNRVKYSNNL-YQVWRLOYSA-N 2 1 320.477 2.538 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353254464 428451533 /nfs/dbraw/zinc/45/15/33/428451533.db2.gz NXBLRCMGZJDDCR-VDZJLULYSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379664610 428452354 /nfs/dbraw/zinc/45/23/54/428452354.db2.gz PTGUJFCJMHHHIA-WBVHZDCISA-N 2 1 317.477 2.673 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414902455 428453170 /nfs/dbraw/zinc/45/31/70/428453170.db2.gz IDAWQYYWNLUFKO-MTQWCTHYSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414902455 428453174 /nfs/dbraw/zinc/45/31/74/428453174.db2.gz IDAWQYYWNLUFKO-MTQWCTHYSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414902455 428453176 /nfs/dbraw/zinc/45/31/76/428453176.db2.gz IDAWQYYWNLUFKO-MTQWCTHYSA-N 3 1 313.489 2.629 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000353256396 428454232 /nfs/dbraw/zinc/45/42/32/428454232.db2.gz RBUBYNNWGHHTDT-QGZVFWFLSA-N 2 1 304.478 2.889 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1C ZINC000353256396 428454234 /nfs/dbraw/zinc/45/42/34/428454234.db2.gz RBUBYNNWGHHTDT-QGZVFWFLSA-N 2 1 304.478 2.889 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)c(C)c1 ZINC000353258256 428455312 /nfs/dbraw/zinc/45/53/12/428455312.db2.gz LRMVFKROUFXNBF-QGZVFWFLSA-N 2 1 304.478 2.889 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)c(C)c1 ZINC000353258256 428455317 /nfs/dbraw/zinc/45/53/17/428455317.db2.gz LRMVFKROUFXNBF-QGZVFWFLSA-N 2 1 304.478 2.889 20 0 DFADMP C[N@@H+](Cc1ccn(C2CCCC2)n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372530710 428456833 /nfs/dbraw/zinc/45/68/33/428456833.db2.gz BTVOKGBVFPPPKJ-OAHLLOKOSA-N 2 1 313.449 2.889 20 0 DFADMP C[N@H+](Cc1ccn(C2CCCC2)n1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372530710 428456837 /nfs/dbraw/zinc/45/68/37/428456837.db2.gz BTVOKGBVFPPPKJ-OAHLLOKOSA-N 2 1 313.449 2.889 20 0 DFADMP c1cc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc2c1OCO2 ZINC000347121107 428456945 /nfs/dbraw/zinc/45/69/45/428456945.db2.gz CHGMGOATOXTYSI-GJZGRUSLSA-N 2 1 300.402 2.621 20 0 DFADMP c1cc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc2c1OCO2 ZINC000347121107 428456949 /nfs/dbraw/zinc/45/69/49/428456949.db2.gz CHGMGOATOXTYSI-GJZGRUSLSA-N 2 1 300.402 2.621 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000414937078 428462862 /nfs/dbraw/zinc/46/28/62/428462862.db2.gz CEPCJWYYIACXGJ-QAPCUYQASA-N 2 1 311.429 2.748 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414942484 428464647 /nfs/dbraw/zinc/46/46/47/428464647.db2.gz DNYHPVDYKZRCGL-ZYHUDNBSSA-N 2 1 313.239 2.688 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000372568087 428465865 /nfs/dbraw/zinc/46/58/65/428465865.db2.gz HBJYKEGYVUZIBU-ZDUSSCGKSA-N 2 1 311.389 2.527 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414945716 428466448 /nfs/dbraw/zinc/46/64/48/428466448.db2.gz ISWPZENGYNIWOW-WCQYABFASA-N 2 1 312.841 2.977 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414951942 428467757 /nfs/dbraw/zinc/46/77/57/428467757.db2.gz JUEINKIOWUUXFV-LALPHHSUSA-N 2 1 309.841 2.787 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2Cc3ccccc32)C1 ZINC000347034915 428414884 /nfs/dbraw/zinc/41/48/84/428414884.db2.gz PBUXQJFXISPRJW-MSOLQXFVSA-N 2 1 302.462 2.759 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000347032896 428416914 /nfs/dbraw/zinc/41/69/14/428416914.db2.gz FBAXTBFLOXYCBP-ZDUSSCGKSA-N 2 1 302.340 2.798 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[S@](=O)[C@H](C)[C@H]1C ZINC000360735210 428419454 /nfs/dbraw/zinc/41/94/54/428419454.db2.gz GPVHFDXIFPWLMO-HLFMIMNKSA-N 2 1 317.458 2.522 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414812781 428421267 /nfs/dbraw/zinc/42/12/67/428421267.db2.gz LLZJKIGUJJAURH-DFNIBXOVSA-N 2 1 324.472 2.921 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045940 428423697 /nfs/dbraw/zinc/42/36/97/428423697.db2.gz GTVPQSVSPMSTRP-BPQIPLTHSA-N 2 1 322.880 2.660 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045940 428423701 /nfs/dbraw/zinc/42/37/01/428423701.db2.gz GTVPQSVSPMSTRP-BPQIPLTHSA-N 2 1 322.880 2.660 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045940 428423705 /nfs/dbraw/zinc/42/37/05/428423705.db2.gz GTVPQSVSPMSTRP-BPQIPLTHSA-N 2 1 322.880 2.660 20 0 DFADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000347045681 428423809 /nfs/dbraw/zinc/42/38/09/428423809.db2.gz NXEXPSMBBVBMKO-AEFFLSMTSA-N 2 1 303.494 2.814 20 0 DFADMP C[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000347048020 428424706 /nfs/dbraw/zinc/42/47/06/428424706.db2.gz HRWRFZGNRXRIAQ-NVXWUHKLSA-N 2 1 310.869 2.517 20 0 DFADMP C[NH+](C[C@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000347048020 428424713 /nfs/dbraw/zinc/42/47/13/428424713.db2.gz HRWRFZGNRXRIAQ-NVXWUHKLSA-N 2 1 310.869 2.517 20 0 DFADMP C[NH+](C[C@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347048020 428424718 /nfs/dbraw/zinc/42/47/18/428424718.db2.gz HRWRFZGNRXRIAQ-NVXWUHKLSA-N 2 1 310.869 2.517 20 0 DFADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000414830050 428426200 /nfs/dbraw/zinc/42/62/00/428426200.db2.gz AKGHXUFIBGXUAE-WBVHZDCISA-N 2 1 309.498 2.665 20 0 DFADMP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000414831150 428427017 /nfs/dbraw/zinc/42/70/17/428427017.db2.gz PPELVLMRTMMMGY-VNWQMFHMSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000414831150 428427023 /nfs/dbraw/zinc/42/70/23/428427023.db2.gz PPELVLMRTMMMGY-VNWQMFHMSA-N 2 1 313.489 2.912 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353200712 428427396 /nfs/dbraw/zinc/42/73/96/428427396.db2.gz CGLNVOUFHMWZLS-UHFFFAOYSA-N 2 1 320.481 2.695 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](CC(=O)N1CCCCCC1)C(C)C ZINC000353200712 428427401 /nfs/dbraw/zinc/42/74/01/428427401.db2.gz CGLNVOUFHMWZLS-UHFFFAOYSA-N 2 1 320.481 2.695 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c1C ZINC000414832923 428428205 /nfs/dbraw/zinc/42/82/05/428428205.db2.gz FGCUEVNSCYGYAA-GOEBONIOSA-N 2 1 305.466 2.984 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000414837885 428429321 /nfs/dbraw/zinc/42/93/21/428429321.db2.gz HHNLLOBCATXBNO-AEFFLSMTSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000414837885 428429327 /nfs/dbraw/zinc/42/93/27/428429327.db2.gz HHNLLOBCATXBNO-AEFFLSMTSA-N 2 1 301.478 2.758 20 0 DFADMP OC[C@H]1CCCN1C[C@@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000372343174 428432316 /nfs/dbraw/zinc/43/23/16/428432316.db2.gz BOOKIEUTDNHMQR-VQTJNVASSA-N 2 1 316.489 2.930 20 0 DFADMP OC[C@H]1CCC[N@@H+]1C[C@@H]1CCCN1CCCCc1ccccc1 ZINC000372343174 428432321 /nfs/dbraw/zinc/43/23/21/428432321.db2.gz BOOKIEUTDNHMQR-VQTJNVASSA-N 2 1 316.489 2.930 20 0 DFADMP OC[C@H]1CCC[N@H+]1C[C@@H]1CCCN1CCCCc1ccccc1 ZINC000372343174 428432327 /nfs/dbraw/zinc/43/23/27/428432327.db2.gz BOOKIEUTDNHMQR-VQTJNVASSA-N 2 1 316.489 2.930 20 0 DFADMP Cc1nc2ccc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)cc2s1 ZINC000414993975 428481590 /nfs/dbraw/zinc/48/15/90/428481590.db2.gz CVNXDQXOPHUPFM-GFCCVEGCSA-N 2 1 311.401 2.939 20 0 DFADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414993154 428481841 /nfs/dbraw/zinc/48/18/41/428481841.db2.gz CEFRVPVBPAQRLH-NSHDSACASA-N 2 1 324.293 2.920 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414996673 428482901 /nfs/dbraw/zinc/48/29/01/428482901.db2.gz GQHJLTIFPUTBQW-NSHDSACASA-N 2 1 324.400 2.540 20 0 DFADMP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414999610 428484390 /nfs/dbraw/zinc/48/43/90/428484390.db2.gz JKVUBEKRVCPFJD-MOPGFXCFSA-N 3 1 315.505 2.801 20 0 DFADMP c1ccc(OCCCCC[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000372671979 428484511 /nfs/dbraw/zinc/48/45/11/428484511.db2.gz FUQHFUHNIMSMKB-HKUYNNGSSA-N 2 1 318.461 2.689 20 0 DFADMP c1ccc(OCCCCC[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000372671979 428484517 /nfs/dbraw/zinc/48/45/17/428484517.db2.gz FUQHFUHNIMSMKB-HKUYNNGSSA-N 2 1 318.461 2.689 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414999614 428485443 /nfs/dbraw/zinc/48/54/43/428485443.db2.gz JKVUBEKRVCPFJD-RBUKOAKNSA-N 3 1 315.505 2.801 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394422731 428488876 /nfs/dbraw/zinc/48/88/76/428488876.db2.gz SHQMZWSFCMCMCJ-UXHICEINSA-N 2 1 324.472 2.895 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000394422731 428488878 /nfs/dbraw/zinc/48/88/78/428488878.db2.gz SHQMZWSFCMCMCJ-UXHICEINSA-N 2 1 324.472 2.895 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415012775 428489337 /nfs/dbraw/zinc/48/93/37/428489337.db2.gz JYPRCPIDJZBZRA-MNOVXSKESA-N 2 1 312.339 2.716 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000395213873 428492504 /nfs/dbraw/zinc/49/25/04/428492504.db2.gz WCWHXBCZNOWNRV-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395213866 428492608 /nfs/dbraw/zinc/49/26/08/428492608.db2.gz WCWHXBCZNOWNRV-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036695 428495659 /nfs/dbraw/zinc/49/56/59/428495659.db2.gz GCNRHWRLTDZIAS-AEFFLSMTSA-N 2 1 301.434 2.609 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415037622 428496367 /nfs/dbraw/zinc/49/63/67/428496367.db2.gz GWIYWSBUUGKYPW-KSSFIOAISA-N 2 1 304.482 2.509 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415035180 428496512 /nfs/dbraw/zinc/49/65/12/428496512.db2.gz DNFCAGZXENJWKP-PMACEKPBSA-N 2 1 324.472 2.895 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415035180 428496516 /nfs/dbraw/zinc/49/65/16/428496516.db2.gz DNFCAGZXENJWKP-PMACEKPBSA-N 2 1 324.472 2.895 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1O ZINC000415043715 428497363 /nfs/dbraw/zinc/49/73/63/428497363.db2.gz BAZPFEIXNIGGKZ-XJKSGUPXSA-N 2 1 306.450 2.829 20 0 DFADMP C[C@H](CCCC(F)(F)F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415044209 428497575 /nfs/dbraw/zinc/49/75/75/428497575.db2.gz APSNYXUPDDNWNZ-WLYUNCDWSA-N 2 1 321.431 2.914 20 0 DFADMP CCc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415052889 428500455 /nfs/dbraw/zinc/50/04/55/428500455.db2.gz LXHCWRJSNBRMOU-UHFFFAOYSA-N 2 1 301.478 2.555 20 0 DFADMP CN(Cc1ccc(-c2ccccc2)o1)C1CC[NH+](CCO)CC1 ZINC000353357288 428500714 /nfs/dbraw/zinc/50/07/14/428500714.db2.gz VAIDIZXAQPMHOL-UHFFFAOYSA-N 2 1 314.429 2.835 20 0 DFADMP COc1ccc(C)cc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353361366 428501034 /nfs/dbraw/zinc/50/10/34/428501034.db2.gz UFQXHHHNSOFXHC-MRXNPFEDSA-N 2 1 320.477 2.528 20 0 DFADMP Clc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415048904 428501384 /nfs/dbraw/zinc/50/13/84/428501384.db2.gz GNUDWJFNOLLMPV-UHFFFAOYSA-N 2 1 307.869 2.646 20 0 DFADMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1OC(F)F ZINC000415050575 428501539 /nfs/dbraw/zinc/50/15/39/428501539.db2.gz INPGTDCJFOQBJL-CYBMUJFWSA-N 2 1 302.365 2.760 20 0 DFADMP C1CC1[C@H]1CCCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058099 428502911 /nfs/dbraw/zinc/50/29/11/428502911.db2.gz SJHMCJFJHDTVBO-CSODTCANSA-N 2 1 305.510 2.761 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415057041 428503718 /nfs/dbraw/zinc/50/37/18/428503718.db2.gz SYTGHBBOAUABHK-JKSUJKDBSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@@H](C)c1ccccc1 ZINC000415055804 428504005 /nfs/dbraw/zinc/50/40/05/428504005.db2.gz OUZQSLARCOYEKK-NXMBOHNASA-N 2 1 315.505 2.985 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353364673 428504157 /nfs/dbraw/zinc/50/41/57/428504157.db2.gz OMCWTWNPTUCHTL-DBVUQKKJSA-N 2 1 316.489 2.815 20 0 DFADMP CC(C)c1ncc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415061877 428506156 /nfs/dbraw/zinc/50/61/56/428506156.db2.gz YZAIKRIUEUAPEZ-UHFFFAOYSA-N 2 1 322.522 2.573 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415060867 428507644 /nfs/dbraw/zinc/50/76/44/428507644.db2.gz ZBWVRUBTIXRDEO-ZWKOTPCHSA-N 2 1 316.493 2.890 20 0 DFADMP COc1cc(C[NH2+]CCC[NH2+]C2CC2)c(SC)cc1OC ZINC000415072919 428509587 /nfs/dbraw/zinc/50/95/87/428509587.db2.gz XMIGTKUJVVLDSG-UHFFFAOYSA-N 2 1 310.463 2.657 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000357391155 428511996 /nfs/dbraw/zinc/51/19/96/428511996.db2.gz LNOBPASBDRFTME-SZMVWBNQSA-N 2 1 317.477 2.668 20 0 DFADMP O[C@@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)C[NH+]1CCCC1 ZINC000360964869 428513412 /nfs/dbraw/zinc/51/34/12/428513412.db2.gz BHUQFFBDENGZRR-IBGZPJMESA-N 2 1 302.462 2.891 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@@H]1C[NH3+] ZINC000415133757 428532167 /nfs/dbraw/zinc/53/21/67/428532167.db2.gz VLUQPFAIIZWHPZ-OLZOCXBDSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@@H]1C[NH3+] ZINC000415133757 428532169 /nfs/dbraw/zinc/53/21/69/428532169.db2.gz VLUQPFAIIZWHPZ-OLZOCXBDSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@H]1C[NH3+] ZINC000415101990 428520991 /nfs/dbraw/zinc/52/09/91/428520991.db2.gz CAGKETGVTBNGNC-GOEBONIOSA-N 2 1 304.482 2.885 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@H]1C[NH3+] ZINC000415101990 428520998 /nfs/dbraw/zinc/52/09/98/428520998.db2.gz CAGKETGVTBNGNC-GOEBONIOSA-N 2 1 304.482 2.885 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000353407698 428523233 /nfs/dbraw/zinc/52/32/33/428523233.db2.gz XPERSOOJNLWADN-HRCADAONSA-N 2 1 321.852 2.741 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000353407698 428523238 /nfs/dbraw/zinc/52/32/38/428523238.db2.gz XPERSOOJNLWADN-HRCADAONSA-N 2 1 321.852 2.741 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000415121376 428526045 /nfs/dbraw/zinc/52/60/45/428526045.db2.gz GYPUTUSZVWTXKR-GDBMZVCRSA-N 2 1 306.450 2.901 20 0 DFADMP Fc1ccc(/C=C\C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415133003 428532062 /nfs/dbraw/zinc/53/20/62/428532062.db2.gz BOWJLWXPAVYHRM-ZSCXUVNLSA-N 2 1 316.420 2.539 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000415123729 428530287 /nfs/dbraw/zinc/53/02/87/428530287.db2.gz JOKRTKNPTAONIW-QWHCGFSZSA-N 2 1 304.463 2.565 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)cc1F ZINC000414959144 428471375 /nfs/dbraw/zinc/47/13/75/428471375.db2.gz PSCFKJWUYIAWHR-RNCFNFMXSA-N 2 1 301.203 2.676 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414955102 428472466 /nfs/dbraw/zinc/47/24/66/428472466.db2.gz UAZOILLMQWZPKZ-BEFAXECRSA-N 2 1 319.468 2.563 20 0 DFADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c1OC(F)F ZINC000414965849 428474979 /nfs/dbraw/zinc/47/49/79/428474979.db2.gz WAOFLSZAAMUWNA-YPMHNXCESA-N 2 1 314.376 2.774 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000414967900 428475263 /nfs/dbraw/zinc/47/52/63/428475263.db2.gz HZAARXMIANHUNR-KRWDZBQOSA-N 2 1 316.424 2.798 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000414968571 428478625 /nfs/dbraw/zinc/47/86/25/428478625.db2.gz IOAFRXRSDIQPOJ-ZDUSSCGKSA-N 2 1 302.340 2.905 20 0 DFADMP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000361612877 428581698 /nfs/dbraw/zinc/58/16/98/428581698.db2.gz XZUAIVVZESKPIZ-JKSUJKDBSA-N 2 1 309.498 2.665 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353530475 428582114 /nfs/dbraw/zinc/58/21/14/428582114.db2.gz SRBUXTNPPDOTMP-QBPKDAKJSA-N 2 1 318.461 2.925 20 0 DFADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000358249985 428590396 /nfs/dbraw/zinc/59/03/96/428590396.db2.gz KOILYRAPPAHLRE-LWSMDNFKSA-N 3 1 307.526 2.959 20 0 DFADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000358249985 428590400 /nfs/dbraw/zinc/59/04/00/428590400.db2.gz KOILYRAPPAHLRE-LWSMDNFKSA-N 3 1 307.526 2.959 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000347315592 428541971 /nfs/dbraw/zinc/54/19/71/428541971.db2.gz QDEVFZWRDMJIJH-BRWVUGGUSA-N 2 1 308.491 2.630 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000347315592 428541974 /nfs/dbraw/zinc/54/19/74/428541974.db2.gz QDEVFZWRDMJIJH-BRWVUGGUSA-N 2 1 308.491 2.630 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@@H](c2ccsc2)C1 ZINC000347315592 428541981 /nfs/dbraw/zinc/54/19/81/428541981.db2.gz QDEVFZWRDMJIJH-BRWVUGGUSA-N 2 1 308.491 2.630 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400331273 428544607 /nfs/dbraw/zinc/54/46/07/428544607.db2.gz DQPVUKJYFKVDCN-YTQUADARSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C)[C@H]1CC[NH2+]C1 ZINC000400331273 428544612 /nfs/dbraw/zinc/54/46/12/428544612.db2.gz DQPVUKJYFKVDCN-YTQUADARSA-N 2 1 315.505 2.875 20 0 DFADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353456719 428545120 /nfs/dbraw/zinc/54/51/20/428545120.db2.gz WPOUYKPNPRDXNB-KZNAEPCWSA-N 2 1 304.434 2.536 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454990 428545140 /nfs/dbraw/zinc/54/51/40/428545140.db2.gz NBWYLIVALMNSSD-WJFTUGDTSA-N 2 1 319.468 2.891 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454990 428545142 /nfs/dbraw/zinc/54/51/42/428545142.db2.gz NBWYLIVALMNSSD-WJFTUGDTSA-N 2 1 319.468 2.891 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454990 428545148 /nfs/dbraw/zinc/54/51/48/428545148.db2.gz NBWYLIVALMNSSD-WJFTUGDTSA-N 2 1 319.468 2.891 20 0 DFADMP C[C@@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400758905 428549030 /nfs/dbraw/zinc/54/90/30/428549030.db2.gz XRYILYJTMLCWTA-NBMJBFSESA-N 2 1 301.478 2.627 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353465822 428550921 /nfs/dbraw/zinc/55/09/21/428550921.db2.gz ZLDCRVUWTKJLMC-KURKYZTESA-N 2 1 318.461 2.674 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)[C@H]2CCC[C@@H]21 ZINC000353465206 428551689 /nfs/dbraw/zinc/55/16/89/428551689.db2.gz WGIIQFBYQYPRRG-SQNIBIBYSA-N 2 1 314.477 2.513 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@H](C)C1 ZINC000357597068 428551619 /nfs/dbraw/zinc/55/16/19/428551619.db2.gz GCIWRLIZTFKUMR-PVAVHDDUSA-N 2 1 304.482 2.641 20 0 DFADMP COCC1(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCC1 ZINC000361299542 428554772 /nfs/dbraw/zinc/55/47/72/428554772.db2.gz NLTYSWVWFRPTIZ-CALCHBBNSA-N 2 1 324.509 2.624 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000353487661 428560541 /nfs/dbraw/zinc/56/05/41/428560541.db2.gz NBNLSICWCNLYGC-LZQZEXGQSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](CO)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000353487661 428560546 /nfs/dbraw/zinc/56/05/46/428560546.db2.gz NBNLSICWCNLYGC-LZQZEXGQSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404287499 428566976 /nfs/dbraw/zinc/56/69/76/428566976.db2.gz ITFIGQWOZKVERA-XJKSGUPXSA-N 2 1 307.413 2.604 20 0 DFADMP CCN(C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CCCCC1 ZINC000404371339 428568807 /nfs/dbraw/zinc/56/88/07/428568807.db2.gz QZSMXZPGERYQLI-DOTOQJQBSA-N 2 1 309.498 2.617 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000404353484 428569037 /nfs/dbraw/zinc/56/90/37/428569037.db2.gz KKHGKCKBSYVHOM-FUHWJXTLSA-N 2 1 317.477 2.877 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000404353484 428569041 /nfs/dbraw/zinc/56/90/41/428569041.db2.gz KKHGKCKBSYVHOM-FUHWJXTLSA-N 2 1 317.477 2.877 20 0 DFADMP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000353506746 428570717 /nfs/dbraw/zinc/57/07/17/428570717.db2.gz ZGPGRPAJUGOFEE-QFBILLFUSA-N 2 1 304.478 2.992 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc(OC)c1OC ZINC000404453838 428570970 /nfs/dbraw/zinc/57/09/70/428570970.db2.gz ZZHFAHSFIPWKDR-UKRRQHHQSA-N 2 1 322.449 2.662 20 0 DFADMP COCC[N@H+](C)CC[C@@H]([NH2+]C1CCC(O)CC1)c1ccccc1 ZINC000353521931 428574305 /nfs/dbraw/zinc/57/43/05/428574305.db2.gz QZVJRXLIVVGRFK-CTWPCTMYSA-N 2 1 320.477 2.589 20 0 DFADMP COCC[N@@H+](C)CC[C@@H]([NH2+]C1CCC(O)CC1)c1ccccc1 ZINC000353521931 428574309 /nfs/dbraw/zinc/57/43/09/428574309.db2.gz QZVJRXLIVVGRFK-CTWPCTMYSA-N 2 1 320.477 2.589 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000343823728 428575753 /nfs/dbraw/zinc/57/57/53/428575753.db2.gz GEFNWESZZSWHDY-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000343823728 428575755 /nfs/dbraw/zinc/57/57/55/428575755.db2.gz GEFNWESZZSWHDY-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000343825841 428575793 /nfs/dbraw/zinc/57/57/93/428575793.db2.gz JOHJVESUPFSZDF-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1cccc(C)c1 ZINC000353522961 428576513 /nfs/dbraw/zinc/57/65/13/428576513.db2.gz SZAZQMUDYZOOFA-ROUUACIJSA-N 2 1 317.477 2.623 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000347436928 428576919 /nfs/dbraw/zinc/57/69/19/428576919.db2.gz KNQXOJPCJVLYGI-WOJBJXKFSA-N 2 1 316.489 2.644 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000347436928 428576923 /nfs/dbraw/zinc/57/69/23/428576923.db2.gz KNQXOJPCJVLYGI-WOJBJXKFSA-N 2 1 316.489 2.644 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000347436928 428576928 /nfs/dbraw/zinc/57/69/28/428576928.db2.gz KNQXOJPCJVLYGI-WOJBJXKFSA-N 2 1 316.489 2.644 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000353568732 428599045 /nfs/dbraw/zinc/59/90/45/428599045.db2.gz BJGFUZSIXBIKMA-ZHALLVOQSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000353568732 428599052 /nfs/dbraw/zinc/59/90/52/428599052.db2.gz BJGFUZSIXBIKMA-ZHALLVOQSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000353568732 428599057 /nfs/dbraw/zinc/59/90/57/428599057.db2.gz BJGFUZSIXBIKMA-ZHALLVOQSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358464556 428602474 /nfs/dbraw/zinc/60/24/74/428602474.db2.gz DYIMYPPGYCVZMH-JEWRLFTDSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H](N[C@H]1C[NH+](C2CC2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358464556 428602481 /nfs/dbraw/zinc/60/24/81/428602481.db2.gz DYIMYPPGYCVZMH-JEWRLFTDSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H](N[C@H]1C[NH+](C2CC2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358464556 428602487 /nfs/dbraw/zinc/60/24/87/428602487.db2.gz DYIMYPPGYCVZMH-JEWRLFTDSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358464556 428602492 /nfs/dbraw/zinc/60/24/92/428602492.db2.gz DYIMYPPGYCVZMH-JEWRLFTDSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358464556 428602500 /nfs/dbraw/zinc/60/25/00/428602500.db2.gz DYIMYPPGYCVZMH-JEWRLFTDSA-N 2 1 305.510 2.712 20 0 DFADMP CCC1(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCOCC1 ZINC000358482811 428604505 /nfs/dbraw/zinc/60/45/05/428604505.db2.gz LCTBYPGKPVOIHP-CALCHBBNSA-N 2 1 312.498 2.672 20 0 DFADMP CN(CCC[N@@H+](C)[C@@H]1CCc2ccc(F)cc21)CC[NH+](C)C ZINC000344033735 428614878 /nfs/dbraw/zinc/61/48/78/428614878.db2.gz QCSFNPLJKIWKTK-GOSISDBHSA-N 2 1 307.457 2.628 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000415896633 428619026 /nfs/dbraw/zinc/61/90/26/428619026.db2.gz DRGFRAFZMOYBOV-LSDHHAIUSA-N 2 1 318.465 2.790 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000415901516 428619678 /nfs/dbraw/zinc/61/96/78/428619678.db2.gz BWESMNFBXWJXKX-INIZCTEOSA-N 2 1 318.465 2.602 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000373614395 428620211 /nfs/dbraw/zinc/62/02/11/428620211.db2.gz BMEPIFNTLKDNIE-QFBILLFUSA-N 2 1 311.429 2.873 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000373614395 428620218 /nfs/dbraw/zinc/62/02/18/428620218.db2.gz BMEPIFNTLKDNIE-QFBILLFUSA-N 2 1 311.429 2.873 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000415912138 428624139 /nfs/dbraw/zinc/62/41/39/428624139.db2.gz BFKJTKLRHAENMT-HNNXBMFYSA-N 2 1 318.465 2.650 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@@H]2CCC[N@H+]2CC)c1 ZINC000415910385 428624831 /nfs/dbraw/zinc/62/48/31/428624831.db2.gz VSWOHJSLCLVSJG-KRWDZBQOSA-N 2 1 318.465 2.744 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000415913950 428625509 /nfs/dbraw/zinc/62/55/09/428625509.db2.gz SPUMWKHQEMUCGC-MRXNPFEDSA-N 2 1 318.465 2.648 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1 ZINC000415929330 428629665 /nfs/dbraw/zinc/62/96/65/428629665.db2.gz GTZTUVFKKBBGQM-AWEZNQCLSA-N 2 1 306.454 2.646 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000415938886 428633520 /nfs/dbraw/zinc/63/35/20/428633520.db2.gz BJUKYECIQQRUDA-AWEZNQCLSA-N 2 1 306.454 2.648 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358711939 428637614 /nfs/dbraw/zinc/63/76/14/428637614.db2.gz DSFYQRWAVMORPY-YLJYHZDGSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000358711939 428637622 /nfs/dbraw/zinc/63/76/22/428637622.db2.gz DSFYQRWAVMORPY-YLJYHZDGSA-N 3 1 315.505 2.971 20 0 DFADMP Cc1[nH+]ccn1CCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358720286 428641167 /nfs/dbraw/zinc/64/11/67/428641167.db2.gz GGUNNSJLUKTHNO-UHFFFAOYSA-N 2 1 320.481 2.600 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000368448438 274101746 /nfs/dbraw/zinc/10/17/46/274101746.db2.gz AKWLBHHCWQRWRL-SJKOYZFVSA-N 2 1 315.392 2.913 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353659757 428644893 /nfs/dbraw/zinc/64/48/93/428644893.db2.gz QOUOZBUCFVLJKB-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccnn1-c1ccccc1 ZINC000376133124 274249366 /nfs/dbraw/zinc/24/93/66/274249366.db2.gz MRSOHBPKKVUWCP-CVEARBPZSA-N 2 1 321.428 2.982 20 0 DFADMP O[C@]1(C[NH2+]C[C@H]2CC=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344541652 428675637 /nfs/dbraw/zinc/67/56/37/428675637.db2.gz VYWUWRBKMKBRLG-HKUYNNGSSA-N 2 1 300.446 2.569 20 0 DFADMP O[C@]1(C[NH2+]C[C@H]2CC=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541652 428675642 /nfs/dbraw/zinc/67/56/42/428675642.db2.gz VYWUWRBKMKBRLG-HKUYNNGSSA-N 2 1 300.446 2.569 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000344505869 428668938 /nfs/dbraw/zinc/66/89/38/428668938.db2.gz BCNSVOJCOCVNPZ-TVFCKZIOSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000344505870 428670625 /nfs/dbraw/zinc/67/06/25/428670625.db2.gz BCNSVOJCOCVNPZ-USTZCAOPSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505870 428670632 /nfs/dbraw/zinc/67/06/32/428670632.db2.gz BCNSVOJCOCVNPZ-USTZCAOPSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505870 428670636 /nfs/dbraw/zinc/67/06/36/428670636.db2.gz BCNSVOJCOCVNPZ-USTZCAOPSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000362310688 428699654 /nfs/dbraw/zinc/69/96/54/428699654.db2.gz UZYVQXQOFKXYFN-YESZJQIVSA-N 2 1 314.539 2.855 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348305998 428700873 /nfs/dbraw/zinc/70/08/73/428700873.db2.gz LLCFWVXAOKAFPH-SLFFLAALSA-N 2 1 313.489 2.535 20 0 DFADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@H]3C=CCCC3)CC2)C[C@H](C)O1 ZINC000358878587 428715843 /nfs/dbraw/zinc/71/58/43/428715843.db2.gz ZUWAEWYZDZQGKF-KSZLIROESA-N 2 1 322.493 2.685 20 0 DFADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@H]3C=CCCC3)CC2)C[C@H](C)O1 ZINC000358878587 428715849 /nfs/dbraw/zinc/71/58/49/428715849.db2.gz ZUWAEWYZDZQGKF-KSZLIROESA-N 2 1 322.493 2.685 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252236 428676849 /nfs/dbraw/zinc/67/68/49/428676849.db2.gz WIAPZLNKQFAEHL-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252236 428676855 /nfs/dbraw/zinc/67/68/55/428676855.db2.gz WIAPZLNKQFAEHL-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252236 428676860 /nfs/dbraw/zinc/67/68/60/428676860.db2.gz WIAPZLNKQFAEHL-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000348403400 428733125 /nfs/dbraw/zinc/73/31/25/428733125.db2.gz LVGGUHNOEFFESI-VBQJREDUSA-N 2 1 310.869 2.736 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)N1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000348275203 428690806 /nfs/dbraw/zinc/69/08/06/428690806.db2.gz ISBQCSZACRTQRE-RDJZCZTQSA-N 2 1 315.461 2.677 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416233979 428695950 /nfs/dbraw/zinc/69/59/50/428695950.db2.gz LJFYASYQIVXQMW-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP C[C@H]1C[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258745 428767082 /nfs/dbraw/zinc/76/70/82/428767082.db2.gz MGHITEHKYCIKTE-KRWDZBQOSA-N 2 1 301.478 2.808 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)[C@H](C)C1 ZINC000359005914 428770162 /nfs/dbraw/zinc/77/01/62/428770162.db2.gz WYJSKEVBPUTOSM-ZIAGYGMSSA-N 2 1 304.425 2.758 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000359018377 428775260 /nfs/dbraw/zinc/77/52/60/428775260.db2.gz MXSCIZIKIVHLMP-ZHALLVOQSA-N 2 1 318.509 2.612 20 0 DFADMP OCC[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411309120 428775626 /nfs/dbraw/zinc/77/56/26/428775626.db2.gz JBXJDNURTMQLSR-KRWDZBQOSA-N 2 1 302.462 2.877 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374889814 428776619 /nfs/dbraw/zinc/77/66/19/428776619.db2.gz CVTWOGCOWPPYDC-KZNAEPCWSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374889814 428776622 /nfs/dbraw/zinc/77/66/22/428776622.db2.gz CVTWOGCOWPPYDC-KZNAEPCWSA-N 2 1 306.425 2.818 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000353929418 428782067 /nfs/dbraw/zinc/78/20/67/428782067.db2.gz MECBSLUZHDPIBG-LPMVOBIJSA-N 2 1 308.466 2.715 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC000353929458 428782884 /nfs/dbraw/zinc/78/28/84/428782884.db2.gz MMDOHOJBKCWQSD-QAETUUGQSA-N 2 1 310.482 2.674 20 0 DFADMP Cc1nnc([C@@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000411402325 428790317 /nfs/dbraw/zinc/79/03/17/428790317.db2.gz ZXJQONJDIIYUJN-CQSZACIVSA-N 2 1 305.470 2.762 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000353951697 428790636 /nfs/dbraw/zinc/79/06/36/428790636.db2.gz QCJHBQRZIXFCSZ-HZPDHXFCSA-N 2 1 320.481 2.776 20 0 DFADMP C[C@H](CC[NH+]1C[C@@H](C)O[C@H](C)C1)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000411127037 428742081 /nfs/dbraw/zinc/74/20/81/428742081.db2.gz PGQHSZITKJQJJM-ZKXLYKBJSA-N 2 1 312.498 2.621 20 0 DFADMP CC1=CCC[C@@H](C)[C@H]1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000358952419 428747093 /nfs/dbraw/zinc/74/70/93/428747093.db2.gz LZYGMFCRIRNRBQ-AEFFLSMTSA-N 2 1 321.509 2.511 20 0 DFADMP OC1(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721217 428847235 /nfs/dbraw/zinc/84/72/35/428847235.db2.gz RRDLLKHYHWAHBK-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP OC1(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721217 428847239 /nfs/dbraw/zinc/84/72/39/428847239.db2.gz RRDLLKHYHWAHBK-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP OC1(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCC1 ZINC000411721217 428847243 /nfs/dbraw/zinc/84/72/43/428847243.db2.gz RRDLLKHYHWAHBK-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP CCn1nc(C)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000354078201 428850416 /nfs/dbraw/zinc/85/04/16/428850416.db2.gz OQSJTFYGPKFSEJ-QGZVFWFLSA-N 2 1 304.482 2.684 20 0 DFADMP CCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000354078201 428850420 /nfs/dbraw/zinc/85/04/20/428850420.db2.gz OQSJTFYGPKFSEJ-QGZVFWFLSA-N 2 1 304.482 2.684 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1C ZINC000354078201 428850426 /nfs/dbraw/zinc/85/04/26/428850426.db2.gz OQSJTFYGPKFSEJ-QGZVFWFLSA-N 2 1 304.482 2.684 20 0 DFADMP CCn1nc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000354078201 428850430 /nfs/dbraw/zinc/85/04/30/428850430.db2.gz OQSJTFYGPKFSEJ-QGZVFWFLSA-N 2 1 304.482 2.684 20 0 DFADMP CCn1nc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000354078201 428850438 /nfs/dbraw/zinc/85/04/38/428850438.db2.gz OQSJTFYGPKFSEJ-QGZVFWFLSA-N 2 1 304.482 2.684 20 0 DFADMP C[C@@H]1CCOCC[NH+]1CCCCCC[N@@H+]1CCOCC[C@@H]1C ZINC000374992365 428795362 /nfs/dbraw/zinc/79/53/62/428795362.db2.gz XKFPFCWVUXIULL-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP C[C@@H]1CCOCC[N@H+]1CCCCCC[NH+]1CCOCC[C@@H]1C ZINC000374992365 428795367 /nfs/dbraw/zinc/79/53/67/428795367.db2.gz XKFPFCWVUXIULL-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP C[C@@H]1CCOCC[N@@H+]1CCCCCC[NH+]1CCOCC[C@@H]1C ZINC000374992365 428795371 /nfs/dbraw/zinc/79/53/71/428795371.db2.gz XKFPFCWVUXIULL-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1)CC2 ZINC000411438555 428796011 /nfs/dbraw/zinc/79/60/11/428796011.db2.gz CLDNBHGRLPNENH-UHFFFAOYSA-N 2 1 301.434 2.575 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1ccccc1)CC2 ZINC000411438555 428796016 /nfs/dbraw/zinc/79/60/16/428796016.db2.gz CLDNBHGRLPNENH-UHFFFAOYSA-N 2 1 301.434 2.575 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353988196 428804267 /nfs/dbraw/zinc/80/42/67/428804267.db2.gz TZKGMUDQKGCLFN-HNNXBMFYSA-N 2 1 321.431 2.867 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353988196 428804272 /nfs/dbraw/zinc/80/42/72/428804272.db2.gz TZKGMUDQKGCLFN-HNNXBMFYSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411513605 428808925 /nfs/dbraw/zinc/80/89/25/428808925.db2.gz DUDZSJKDCBUMEC-IXDOHACOSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411513605 428808928 /nfs/dbraw/zinc/80/89/28/428808928.db2.gz DUDZSJKDCBUMEC-IXDOHACOSA-N 2 1 321.509 2.630 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc(CSC)cc2)CC1 ZINC000353999055 428812661 /nfs/dbraw/zinc/81/26/61/428812661.db2.gz XXQNFBOUURUPRK-UHFFFAOYSA-N 2 1 308.491 2.750 20 0 DFADMP CC[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC000359100971 428816976 /nfs/dbraw/zinc/81/69/76/428816976.db2.gz BURUONQUVIUHRM-OAHLLOKOSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)CCN1Cc1ccccc1 ZINC000359102409 428817420 /nfs/dbraw/zinc/81/74/20/428817420.db2.gz GINYLYPPFAXGRV-RDJZCZTQSA-N 2 1 317.477 2.544 20 0 DFADMP CCc1ncc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)s1 ZINC000354080516 428852901 /nfs/dbraw/zinc/85/29/01/428852901.db2.gz ABUNIEJDEVJTAW-AWEZNQCLSA-N 2 1 311.495 2.638 20 0 DFADMP OC[C@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411603836 428821675 /nfs/dbraw/zinc/82/16/75/428821675.db2.gz FKXKJAUVEZXKLA-QZTJIDSGSA-N 2 1 306.425 2.577 20 0 DFADMP OC[C@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411603836 428821678 /nfs/dbraw/zinc/82/16/78/428821678.db2.gz FKXKJAUVEZXKLA-QZTJIDSGSA-N 2 1 306.425 2.577 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000359119205 428826123 /nfs/dbraw/zinc/82/61/23/428826123.db2.gz WWTWATKVUMOKRM-IAGOWNOFSA-N 2 1 321.509 2.630 20 0 DFADMP NC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000359120750 428827334 /nfs/dbraw/zinc/82/73/34/428827334.db2.gz ZUKSPYJYYPEPLD-UHFFFAOYSA-N 2 1 315.461 2.672 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000345283332 428829011 /nfs/dbraw/zinc/82/90/11/428829011.db2.gz OWHKTZLAGRSACO-SJORKVTESA-N 2 1 308.853 2.837 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000345283332 428829015 /nfs/dbraw/zinc/82/90/15/428829015.db2.gz OWHKTZLAGRSACO-SJORKVTESA-N 2 1 308.853 2.837 20 0 DFADMP COC(C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1)OC ZINC000375251821 428832284 /nfs/dbraw/zinc/83/22/84/428832284.db2.gz BDIIVKAOIAOPRL-KRWDZBQOSA-N 2 1 306.450 2.592 20 0 DFADMP COC(C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1)OC ZINC000375251821 428832288 /nfs/dbraw/zinc/83/22/88/428832288.db2.gz BDIIVKAOIAOPRL-KRWDZBQOSA-N 2 1 306.450 2.592 20 0 DFADMP COC(C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1)OC ZINC000375251821 428832292 /nfs/dbraw/zinc/83/22/92/428832292.db2.gz BDIIVKAOIAOPRL-KRWDZBQOSA-N 2 1 306.450 2.592 20 0 DFADMP COC(C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1)OC ZINC000375251821 428832298 /nfs/dbraw/zinc/83/22/98/428832298.db2.gz BDIIVKAOIAOPRL-KRWDZBQOSA-N 2 1 306.450 2.592 20 0 DFADMP c1cc2c(c([C@@H]3CCC[N@@H+]3CCC3CC[NH2+]CC3)c1)OCCO2 ZINC000359184023 428855825 /nfs/dbraw/zinc/85/58/25/428855825.db2.gz BCIWSCXTEPURBU-KRWDZBQOSA-N 2 1 316.445 2.984 20 0 DFADMP C[C@H]1CCC[C@H](C[N@H+]2CCCN(Cc3nccn3C)CC2)C1 ZINC000363109088 428857718 /nfs/dbraw/zinc/85/77/18/428857718.db2.gz XXDHASNOCVKXAW-IRXDYDNUSA-N 2 1 304.482 2.754 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000359196980 428861636 /nfs/dbraw/zinc/86/16/36/428861636.db2.gz AJJBIILQRFOUOZ-HNNXBMFYSA-N 2 1 321.431 2.582 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000348876139 428868537 /nfs/dbraw/zinc/86/85/37/428868537.db2.gz LUIOKTHMMTVLJP-ZDUSSCGKSA-N 2 1 322.359 2.637 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC[C@@H]2c2ccncc2)s1 ZINC000348919355 428874881 /nfs/dbraw/zinc/87/48/81/428874881.db2.gz GKFVEIHSHPLJRV-OAHLLOKOSA-N 2 1 302.447 2.937 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC000354134041 428880968 /nfs/dbraw/zinc/88/09/68/428880968.db2.gz NJLMHBMDSWEZNI-ZOBUZTSGSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000354134041 428880976 /nfs/dbraw/zinc/88/09/76/428880976.db2.gz NJLMHBMDSWEZNI-ZOBUZTSGSA-N 2 1 310.482 2.818 20 0 DFADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000354145664 428886009 /nfs/dbraw/zinc/88/60/09/428886009.db2.gz FKISQAFRDJGZFC-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000354145664 428886016 /nfs/dbraw/zinc/88/60/16/428886016.db2.gz FKISQAFRDJGZFC-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375460890 428889853 /nfs/dbraw/zinc/88/98/53/428889853.db2.gz QIAFWFHAKVAEEO-KBAYOESNSA-N 2 1 317.477 2.574 20 0 DFADMP CCCNC(=O)[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375460890 428889856 /nfs/dbraw/zinc/88/98/56/428889856.db2.gz QIAFWFHAKVAEEO-KBAYOESNSA-N 2 1 317.477 2.574 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1OC ZINC000354167262 428893700 /nfs/dbraw/zinc/89/37/00/428893700.db2.gz OKKRFDUTZHVETC-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c(C)c1OC ZINC000354167262 428893707 /nfs/dbraw/zinc/89/37/07/428893707.db2.gz OKKRFDUTZHVETC-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c(C)c1OC ZINC000354167262 428893712 /nfs/dbraw/zinc/89/37/12/428893712.db2.gz OKKRFDUTZHVETC-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c(C)c1OC ZINC000354167262 428893718 /nfs/dbraw/zinc/89/37/18/428893718.db2.gz OKKRFDUTZHVETC-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000349002767 428897791 /nfs/dbraw/zinc/89/77/91/428897791.db2.gz IZULGGRIGLVTJI-XVLXNVKGSA-N 2 1 300.446 2.543 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354174347 428898603 /nfs/dbraw/zinc/89/86/03/428898603.db2.gz XCNQNKFNMJDUGX-RMPXNZIMSA-N 2 1 300.446 2.949 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1sc(C)nc1C ZINC000349035660 428905300 /nfs/dbraw/zinc/90/53/00/428905300.db2.gz LAHBTLMLJYHXNE-MRXNPFEDSA-N 2 1 324.538 2.608 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCOc2ccccc2)C[C@@H]1C ZINC000354211380 428916880 /nfs/dbraw/zinc/91/68/80/428916880.db2.gz WTSORJSWTDSNFW-ROUUACIJSA-N 2 1 320.477 2.887 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCOc2ccccc2)C[C@@H]1C ZINC000354211380 428916888 /nfs/dbraw/zinc/91/68/88/428916888.db2.gz WTSORJSWTDSNFW-ROUUACIJSA-N 2 1 320.477 2.887 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCOc2ccccc2)C[C@@H]1C ZINC000354211380 428916895 /nfs/dbraw/zinc/91/68/95/428916895.db2.gz WTSORJSWTDSNFW-ROUUACIJSA-N 2 1 320.477 2.887 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCOc2ccccc2)C[C@H]1C ZINC000354211378 428917783 /nfs/dbraw/zinc/91/77/83/428917783.db2.gz WTSORJSWTDSNFW-MSOLQXFVSA-N 2 1 320.477 2.887 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCOc2ccccc2)C[C@H]1C ZINC000354211378 428917787 /nfs/dbraw/zinc/91/77/87/428917787.db2.gz WTSORJSWTDSNFW-MSOLQXFVSA-N 2 1 320.477 2.887 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCOc2ccccc2)C[C@H]1C ZINC000354211378 428917791 /nfs/dbraw/zinc/91/77/91/428917791.db2.gz WTSORJSWTDSNFW-MSOLQXFVSA-N 2 1 320.477 2.887 20 0 DFADMP COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)cc1 ZINC000363460018 428919033 /nfs/dbraw/zinc/91/90/33/428919033.db2.gz VQJVBYHHHSGEKF-UHOSZYNNSA-N 2 1 318.461 2.677 20 0 DFADMP COc1ccc([C@H](O)[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000363460018 428919039 /nfs/dbraw/zinc/91/90/39/428919039.db2.gz VQJVBYHHHSGEKF-UHOSZYNNSA-N 2 1 318.461 2.677 20 0 DFADMP COc1ccc([C@H](O)[C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000363460018 428919045 /nfs/dbraw/zinc/91/90/45/428919045.db2.gz VQJVBYHHHSGEKF-UHOSZYNNSA-N 2 1 318.461 2.677 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000349090362 428919869 /nfs/dbraw/zinc/91/98/69/428919869.db2.gz WEZPGGLOFLEDFD-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000349090362 428919873 /nfs/dbraw/zinc/91/98/73/428919873.db2.gz WEZPGGLOFLEDFD-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000349090362 428919879 /nfs/dbraw/zinc/91/98/79/428919879.db2.gz WEZPGGLOFLEDFD-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000349115838 428920769 /nfs/dbraw/zinc/92/07/69/428920769.db2.gz DZISJCGOOBIXAO-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349115838 428920773 /nfs/dbraw/zinc/92/07/73/428920773.db2.gz DZISJCGOOBIXAO-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000349115838 428920780 /nfs/dbraw/zinc/92/07/80/428920780.db2.gz DZISJCGOOBIXAO-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2C)C[C@H]1C ZINC000354224017 428924743 /nfs/dbraw/zinc/92/47/43/428924743.db2.gz MSPVORUCIDPYMX-HZPDHXFCSA-N 2 1 303.450 2.738 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)CC2CCCCC2)C[C@H]1C ZINC000354224550 428925155 /nfs/dbraw/zinc/92/51/55/428925155.db2.gz RWOAOUFJFZVEOR-AEFFLSMTSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354226036 428925557 /nfs/dbraw/zinc/92/55/57/428925557.db2.gz USAULQZTHGLQFH-RHSMWYFYSA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354226036 428925563 /nfs/dbraw/zinc/92/55/63/428925563.db2.gz USAULQZTHGLQFH-RHSMWYFYSA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354226036 428925566 /nfs/dbraw/zinc/92/55/66/428925566.db2.gz USAULQZTHGLQFH-RHSMWYFYSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354226036 428925571 /nfs/dbraw/zinc/92/55/71/428925571.db2.gz USAULQZTHGLQFH-RHSMWYFYSA-N 2 1 304.434 2.778 20 0 DFADMP CCOc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)n1 ZINC000349149139 428928908 /nfs/dbraw/zinc/92/89/08/428928908.db2.gz LEXUNYCRCJACMI-MRXNPFEDSA-N 2 1 303.450 2.644 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCN1C ZINC000363504373 428931218 /nfs/dbraw/zinc/93/12/18/428931218.db2.gz PRVJJAQOSNGXBB-ZWKOTPCHSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1ccccc1NC(=O)CCN1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000363504373 428931224 /nfs/dbraw/zinc/93/12/24/428931224.db2.gz PRVJJAQOSNGXBB-ZWKOTPCHSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1ccccc1NC(=O)CCN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000363504373 428931228 /nfs/dbraw/zinc/93/12/28/428931228.db2.gz PRVJJAQOSNGXBB-ZWKOTPCHSA-N 2 1 315.461 2.882 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354251047 428938979 /nfs/dbraw/zinc/93/89/79/428938979.db2.gz BTYHMKOHNSWNEA-IAGOWNOFSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423554532 428971916 /nfs/dbraw/zinc/97/19/16/428971916.db2.gz HJDCDCAKHWVCNJ-QGZVFWFLSA-N 2 1 324.472 2.726 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000359379684 428947331 /nfs/dbraw/zinc/94/73/31/428947331.db2.gz PGVOXXIBOKYGJI-OWCLPIDISA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000354284149 428954491 /nfs/dbraw/zinc/95/44/91/428954491.db2.gz WEYMZUTYYSASNH-JSGCOSHPSA-N 2 1 304.463 2.721 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000420298619 428955087 /nfs/dbraw/zinc/95/50/87/428955087.db2.gz SHIGVSZJFVMZDE-CYBMUJFWSA-N 2 1 316.474 3.446 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375742732 428958878 /nfs/dbraw/zinc/95/88/78/428958878.db2.gz IQYMJMDJNYQZRK-XNHLSEOASA-N 2 1 323.525 2.874 20 0 DFADMP c1cc(-c2ccc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755797 428964086 /nfs/dbraw/zinc/96/40/86/428964086.db2.gz GADNDIGNTUHKBH-UNEWFSDZSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755797 428964087 /nfs/dbraw/zinc/96/40/87/428964087.db2.gz GADNDIGNTUHKBH-UNEWFSDZSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755797 428964090 /nfs/dbraw/zinc/96/40/90/428964090.db2.gz GADNDIGNTUHKBH-UNEWFSDZSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755797 428964093 /nfs/dbraw/zinc/96/40/93/428964093.db2.gz GADNDIGNTUHKBH-UNEWFSDZSA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755797 428964098 /nfs/dbraw/zinc/96/40/98/428964098.db2.gz GADNDIGNTUHKBH-UNEWFSDZSA-N 2 1 312.417 2.586 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000349346688 428967057 /nfs/dbraw/zinc/96/70/57/428967057.db2.gz YKPORBWMBCVVTD-SYCBWMALSA-N 2 1 314.473 2.814 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423538440 428969078 /nfs/dbraw/zinc/96/90/78/428969078.db2.gz MVZXFFOWDOWGFX-FXAWDEMLSA-N 3 1 313.489 2.939 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423538440 428969086 /nfs/dbraw/zinc/96/90/86/428969086.db2.gz MVZXFFOWDOWGFX-FXAWDEMLSA-N 3 1 313.489 2.939 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000349357086 428969291 /nfs/dbraw/zinc/96/92/91/428969291.db2.gz SMEJVCHHPMRSDO-DYVFJYSZSA-N 2 1 303.425 2.790 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000349357087 428969425 /nfs/dbraw/zinc/96/94/25/428969425.db2.gz SMEJVCHHPMRSDO-GUYCJALGSA-N 2 1 303.425 2.790 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000423770166 429014892 /nfs/dbraw/zinc/01/48/92/429014892.db2.gz ZOTYWSGGAOOYQD-IBGZPJMESA-N 2 1 317.477 2.583 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2C)cc1 ZINC000421707661 429019391 /nfs/dbraw/zinc/01/93/91/429019391.db2.gz YAKPWGFVUXKHPJ-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C[NH+]1CCCCC1 ZINC000433311831 429023094 /nfs/dbraw/zinc/02/30/94/429023094.db2.gz OACTYSHQEGSXPK-AWEZNQCLSA-N 2 1 302.422 2.881 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000375946199 429023897 /nfs/dbraw/zinc/02/38/97/429023897.db2.gz GMJQFTGPVZEMCO-OAHLLOKOSA-N 2 1 321.428 2.934 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000355143981 429030739 /nfs/dbraw/zinc/03/07/39/429030739.db2.gz ASVBTYADWVRJFV-SJORKVTESA-N 2 1 311.514 2.637 20 0 DFADMP CCC[N@H+](C[C@H](C)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363710039 428976726 /nfs/dbraw/zinc/97/67/26/428976726.db2.gz KRKZBNRYOYNYOY-HNNXBMFYSA-N 2 1 320.481 2.809 20 0 DFADMP CCC[N@@H+](C[C@H](C)OC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000363710039 428976732 /nfs/dbraw/zinc/97/67/32/428976732.db2.gz KRKZBNRYOYNYOY-HNNXBMFYSA-N 2 1 320.481 2.809 20 0 DFADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000349384731 428979671 /nfs/dbraw/zinc/97/96/71/428979671.db2.gz XCWKDQJWVOKFLY-QEJZJMRPSA-N 2 1 324.490 2.785 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@H]2CCC[C@H]21 ZINC000375801275 428979822 /nfs/dbraw/zinc/97/98/22/428979822.db2.gz IPGCTDXWYHCGTI-IXDOHACOSA-N 2 1 302.466 2.736 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CCC2)[C@@H](C)C1 ZINC000433093688 428993580 /nfs/dbraw/zinc/99/35/80/428993580.db2.gz RQIDGWDTUBUWCS-JKSUJKDBSA-N 2 1 314.539 2.999 20 0 DFADMP CC[C@@H](C(=O)NC(C)(C)CCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423681474 428994757 /nfs/dbraw/zinc/99/47/57/428994757.db2.gz NISBPKKWKRJCPP-INIZCTEOSA-N 2 1 305.466 2.531 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000363834630 428996132 /nfs/dbraw/zinc/99/61/32/428996132.db2.gz RXDRASJDEXNUNV-SZVBFZGTSA-N 2 1 320.452 2.847 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H](C[NH3+])C(C)C)cc1 ZINC000433136958 428999064 /nfs/dbraw/zinc/99/90/64/428999064.db2.gz RNHZYCQTMKPAAW-CXAGYDPISA-N 2 1 314.433 2.589 20 0 DFADMP COCC[N@@H+](C)CCCN[C@H](c1ncc[nH]1)C1CCCCC1 ZINC000375863052 429002457 /nfs/dbraw/zinc/00/24/57/429002457.db2.gz VHZYWTJPFIUZJS-INIZCTEOSA-N 2 1 308.470 2.589 20 0 DFADMP Cc1ncccc1O[C@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000375986177 429034443 /nfs/dbraw/zinc/03/44/43/429034443.db2.gz PGOWYDUZPCSRIN-SJORKVTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000375986177 429034448 /nfs/dbraw/zinc/03/44/48/429034448.db2.gz PGOWYDUZPCSRIN-SJORKVTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000375986177 429034452 /nfs/dbraw/zinc/03/44/52/429034452.db2.gz PGOWYDUZPCSRIN-SJORKVTESA-N 2 1 303.450 2.718 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000423722927 429005524 /nfs/dbraw/zinc/00/55/24/429005524.db2.gz DXACQLLVYOHTDI-RVKKMQEKSA-N 2 1 315.461 2.623 20 0 DFADMP Cc1ncccc1O[C@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000375986177 429034456 /nfs/dbraw/zinc/03/44/56/429034456.db2.gz PGOWYDUZPCSRIN-SJORKVTESA-N 2 1 303.450 2.718 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000375892375 429008334 /nfs/dbraw/zinc/00/83/34/429008334.db2.gz YNGJFJLMGHNHQG-IACUBPJLSA-N 2 1 308.447 2.812 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000375892375 429008338 /nfs/dbraw/zinc/00/83/38/429008338.db2.gz YNGJFJLMGHNHQG-IACUBPJLSA-N 2 1 308.447 2.812 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423764408 429010779 /nfs/dbraw/zinc/01/07/79/429010779.db2.gz SWAKQHYBSPIFPD-FUHWJXTLSA-N 2 1 309.498 2.617 20 0 DFADMP CCCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000354807030 429010945 /nfs/dbraw/zinc/01/09/45/429010945.db2.gz NQWMJERYEXCNHD-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC3(CCC[N@@H+]3C)CC2)c1C ZINC000375901674 429013646 /nfs/dbraw/zinc/01/36/46/429013646.db2.gz CPWYKJPUTBJKQU-UHFFFAOYSA-N 2 1 303.450 2.767 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC3(CCC[N@H+]3C)CC2)c1C ZINC000375901674 429013655 /nfs/dbraw/zinc/01/36/55/429013655.db2.gz CPWYKJPUTBJKQU-UHFFFAOYSA-N 2 1 303.450 2.767 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375907091 429014619 /nfs/dbraw/zinc/01/46/19/429014619.db2.gz REAGBGBEUBGUCS-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423457159 429090718 /nfs/dbraw/zinc/09/07/18/429090718.db2.gz FNSSKCKTIVSCIH-YVZVNANGSA-N 2 1 301.203 2.901 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cnn1C(C)C ZINC000423473020 429093222 /nfs/dbraw/zinc/09/32/22/429093222.db2.gz IHDCEXAZASUSJM-DGCLKSJQSA-N 2 1 300.397 2.668 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000434494913 429093325 /nfs/dbraw/zinc/09/33/25/429093325.db2.gz QLVNQJRCWZZSGP-JKSUJKDBSA-N 2 1 323.506 2.774 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cccc(Cl)c1 ZINC000423480701 429094884 /nfs/dbraw/zinc/09/48/84/429094884.db2.gz PMYTVGIAPSOXGK-OCCSQVGLSA-N 2 1 318.795 2.862 20 0 DFADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000421835325 429038479 /nfs/dbraw/zinc/03/84/79/429038479.db2.gz PSYCXGIQDNEGKC-IAGOWNOFSA-N 2 1 312.498 2.551 20 0 DFADMP CC(C)[C@H]([NH3+])CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423279490 429056289 /nfs/dbraw/zinc/05/62/89/429056289.db2.gz SBDDLSZTWMPSIV-FCGDIQPGSA-N 2 1 301.478 2.755 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423294424 429057151 /nfs/dbraw/zinc/05/71/51/429057151.db2.gz BVLJMEPSRLIBJH-KDOFPFPSSA-N 2 1 305.466 2.533 20 0 DFADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423284871 429057535 /nfs/dbraw/zinc/05/75/35/429057535.db2.gz XHVVSRILEGSUHB-IINYFYTJSA-N 2 1 302.447 2.901 20 0 DFADMP CC(C)([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423287395 429058545 /nfs/dbraw/zinc/05/85/45/429058545.db2.gz MAJPPCWJQPCARF-KSZLIROESA-N 2 1 301.478 2.757 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423285681 429058672 /nfs/dbraw/zinc/05/86/72/429058672.db2.gz ZNCRZESJTLLCJC-WKWVNEEDSA-N 2 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423285681 429058678 /nfs/dbraw/zinc/05/86/78/429058678.db2.gz ZNCRZESJTLLCJC-WKWVNEEDSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423285681 429058679 /nfs/dbraw/zinc/05/86/79/429058679.db2.gz ZNCRZESJTLLCJC-WKWVNEEDSA-N 3 1 313.489 2.899 20 0 DFADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423311068 429060017 /nfs/dbraw/zinc/06/00/17/429060017.db2.gz BHIHDBRSGSIOQL-OALUTQOASA-N 2 1 311.429 2.701 20 0 DFADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423304525 429061152 /nfs/dbraw/zinc/06/11/52/429061152.db2.gz OKZPVOFIHHCHMO-BBRMVZONSA-N 2 1 322.424 2.644 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)c(F)c1 ZINC000412566858 429062090 /nfs/dbraw/zinc/06/20/90/429062090.db2.gz BKBLWOJILRHHPK-HNNXBMFYSA-N 2 1 316.380 2.600 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000452119592 429064263 /nfs/dbraw/zinc/06/42/63/429064263.db2.gz QHQLAWVJMJHFSY-SFHVURJKSA-N 2 1 307.457 2.672 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000452119592 429064267 /nfs/dbraw/zinc/06/42/67/429064267.db2.gz QHQLAWVJMJHFSY-SFHVURJKSA-N 2 1 307.457 2.672 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000452119592 429064269 /nfs/dbraw/zinc/06/42/69/429064269.db2.gz QHQLAWVJMJHFSY-SFHVURJKSA-N 2 1 307.457 2.672 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423328646 429065444 /nfs/dbraw/zinc/06/54/44/429065444.db2.gz OAWGXCHNBLPIND-CYBMUJFWSA-N 2 1 304.438 2.749 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423484728 429097098 /nfs/dbraw/zinc/09/70/98/429097098.db2.gz AIUJTWAVXSFULZ-CGTJXYLNSA-N 2 1 321.896 2.859 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1NC(C)=O ZINC000423341034 429067833 /nfs/dbraw/zinc/06/78/33/429067833.db2.gz WJPAXOMHGMXAND-SCLBCKFNSA-N 2 1 319.449 2.694 20 0 DFADMP C[C@@]1(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CCC[NH2+]C1 ZINC000423345122 429069342 /nfs/dbraw/zinc/06/93/42/429069342.db2.gz OSXNZYPUQHOUOO-RBUKOAKNSA-N 2 1 310.445 2.740 20 0 DFADMP C[C@@H]1[C@@H](NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000423355330 429071437 /nfs/dbraw/zinc/07/14/37/429071437.db2.gz IAZLEAXBXYLEQV-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423355330 429071439 /nfs/dbraw/zinc/07/14/39/429071439.db2.gz IAZLEAXBXYLEQV-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376178624 429071724 /nfs/dbraw/zinc/07/17/24/429071724.db2.gz SLGXEAPVPZLOEX-UHFFFAOYSA-N 3 1 316.493 2.716 20 0 DFADMP C[N@H+](CCCN1CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376178624 429071730 /nfs/dbraw/zinc/07/17/30/429071730.db2.gz SLGXEAPVPZLOEX-UHFFFAOYSA-N 2 1 316.493 2.716 20 0 DFADMP C[N@@H+](CCCN1CCCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000376178624 429071734 /nfs/dbraw/zinc/07/17/34/429071734.db2.gz SLGXEAPVPZLOEX-UHFFFAOYSA-N 2 1 316.493 2.716 20 0 DFADMP Cn1ccnc1[C@@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423363351 429072688 /nfs/dbraw/zinc/07/26/88/429072688.db2.gz YNDFPWZZBNTNQW-INIZCTEOSA-N 2 1 316.836 2.672 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423374606 429077769 /nfs/dbraw/zinc/07/77/69/429077769.db2.gz XGGABPGXCAJCOD-FZKCQIBNSA-N 2 1 317.477 2.803 20 0 DFADMP C[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423396210 429079617 /nfs/dbraw/zinc/07/96/17/429079617.db2.gz RNPYWHOFPNBSFO-NXWXRZEISA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000423396345 429080247 /nfs/dbraw/zinc/08/02/47/429080247.db2.gz NRUWEMCKVNPNCH-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423396345 429080250 /nfs/dbraw/zinc/08/02/50/429080250.db2.gz NRUWEMCKVNPNCH-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H](C[NH3+])N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423400988 429081449 /nfs/dbraw/zinc/08/14/49/429081449.db2.gz QPVIQIMSMBVGLR-GDAAHCPNSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423397918 429081618 /nfs/dbraw/zinc/08/16/18/429081618.db2.gz VDQLNNMSEGJGPX-WBVHZDCISA-N 2 1 317.477 2.796 20 0 DFADMP CC(C)(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1cc2ccccc2o1 ZINC000423401633 429081676 /nfs/dbraw/zinc/08/16/76/429081676.db2.gz GJFDOEBDBLAHMI-JJRVBVJISA-N 2 1 302.418 2.690 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423398733 429081700 /nfs/dbraw/zinc/08/17/00/429081700.db2.gz VIKHUJOUVGAQKS-PBWTXFEYSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H](C[NH3+])N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423400990 429082337 /nfs/dbraw/zinc/08/23/37/429082337.db2.gz QPVIQIMSMBVGLR-WZGPROSRSA-N 2 1 301.478 2.614 20 0 DFADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@H]1O ZINC000423411223 429083450 /nfs/dbraw/zinc/08/34/50/429083450.db2.gz UAHOVHLKEIGOMM-HEHGZKQESA-N 2 1 302.418 2.535 20 0 DFADMP COC[C@]1(C[NH2+][C@@H](C)CCc2c(F)cccc2F)CCC[NH2+]1 ZINC000423415689 429084800 /nfs/dbraw/zinc/08/48/00/429084800.db2.gz PEZXVVAZBBVEBI-SUMWQHHRSA-N 2 1 312.404 2.644 20 0 DFADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423433443 429087519 /nfs/dbraw/zinc/08/75/19/429087519.db2.gz CJRIWNDCFOBOFA-NXJYUQPGSA-N 2 1 301.478 2.612 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423427159 429087620 /nfs/dbraw/zinc/08/76/20/429087620.db2.gz IICXTVQAGOCLFC-RDJZCZTQSA-N 2 1 317.477 2.513 20 0 DFADMP CCn1ccnc1C[N@@H+](CC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435680462 429157578 /nfs/dbraw/zinc/15/75/78/429157578.db2.gz GHQRPMYUWHJLQV-INIZCTEOSA-N 2 1 302.466 2.647 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000487319660 429150257 /nfs/dbraw/zinc/15/02/57/429150257.db2.gz MPCLGAFBUXTVMH-KVSKMBFKSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000487319660 429150263 /nfs/dbraw/zinc/15/02/63/429150263.db2.gz MPCLGAFBUXTVMH-KVSKMBFKSA-N 2 1 302.462 2.648 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435623720 429155587 /nfs/dbraw/zinc/15/55/87/429155587.db2.gz VQTTYWHNPOQZGY-CQSZACIVSA-N 2 1 321.490 2.811 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424147822 429100640 /nfs/dbraw/zinc/10/06/40/429100640.db2.gz SITLIJFUVJLROY-ROUUACIJSA-N 2 1 323.525 2.865 20 0 DFADMP CC[N@@H+](CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1)C(C)C ZINC000424156177 429100901 /nfs/dbraw/zinc/10/09/01/429100901.db2.gz NUUNODJHDHQOTH-KRWDZBQOSA-N 2 1 311.514 2.911 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505581 429102072 /nfs/dbraw/zinc/10/20/72/429102072.db2.gz HEENHOVCFVAKTQ-ONCXSQPRSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505581 429102074 /nfs/dbraw/zinc/10/20/74/429102074.db2.gz HEENHOVCFVAKTQ-ONCXSQPRSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505581 429102079 /nfs/dbraw/zinc/10/20/79/429102079.db2.gz HEENHOVCFVAKTQ-ONCXSQPRSA-N 2 1 315.505 2.814 20 0 DFADMP COc1cc(C)c(C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423501641 429102281 /nfs/dbraw/zinc/10/22/81/429102281.db2.gz BNIGKLDZCNOPMN-ZRGWGRIASA-N 2 1 320.477 2.860 20 0 DFADMP CCc1cccnc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423503780 429102402 /nfs/dbraw/zinc/10/24/02/429102402.db2.gz GCLQAGOCMHPVBH-ZLPCBKJTSA-N 2 1 316.493 2.511 20 0 DFADMP C[C@H]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000423508258 429103985 /nfs/dbraw/zinc/10/39/85/429103985.db2.gz KOKBRWAMZHNHBN-KCITZHQASA-N 2 1 301.478 2.566 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)cc2O1 ZINC000424175774 429104617 /nfs/dbraw/zinc/10/46/17/429104617.db2.gz OCYPWWFTFWKUOJ-LBPRGKRZSA-N 2 1 321.327 2.557 20 0 DFADMP CCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000434685995 429105012 /nfs/dbraw/zinc/10/50/12/429105012.db2.gz SMRRMUQGFDIGTG-LZLYRXPVSA-N 2 1 317.477 2.798 20 0 DFADMP C[C@H](c1cccc(N2CCCC2=O)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423518165 429107092 /nfs/dbraw/zinc/10/70/92/429107092.db2.gz YXBQOEUZRWJZLY-SPYBWZPUSA-N 2 1 315.461 2.791 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423523196 429108072 /nfs/dbraw/zinc/10/80/72/429108072.db2.gz YMTVWSUPJXZDRC-DSLXNQLJSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423523196 429108077 /nfs/dbraw/zinc/10/80/77/429108077.db2.gz YMTVWSUPJXZDRC-DSLXNQLJSA-N 2 1 301.478 2.614 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000423525904 429108631 /nfs/dbraw/zinc/10/86/31/429108631.db2.gz YTAUWYXJNSVSRT-JEYLPNPQSA-N 2 1 322.522 2.627 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C2CCCC2)cc1 ZINC000423522890 429109250 /nfs/dbraw/zinc/10/92/50/429109250.db2.gz RXGKEHOWSRQVNG-RBUKOAKNSA-N 2 1 301.478 2.720 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)ccc1F ZINC000423525676 429109490 /nfs/dbraw/zinc/10/94/90/429109490.db2.gz YKNBEDHTBOVANY-JEYLPNPQSA-N 2 1 323.431 2.832 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423534099 429110761 /nfs/dbraw/zinc/11/07/61/429110761.db2.gz VDDPSGAYUPAZBC-KSSFIOAISA-N 2 1 306.450 2.880 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534100 429111247 /nfs/dbraw/zinc/11/12/47/429111247.db2.gz VDDPSGAYUPAZBC-RDTXWAMCSA-N 2 1 306.450 2.880 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424285566 429120022 /nfs/dbraw/zinc/12/00/22/429120022.db2.gz FWBZYRPENDSOSX-OAHLLOKOSA-N 2 1 315.461 2.652 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1C ZINC000424291280 429121721 /nfs/dbraw/zinc/12/17/21/429121721.db2.gz NIQAUXVFKGLSPM-CQSZACIVSA-N 2 1 303.450 2.671 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@@H](C)C1 ZINC000435132301 429126033 /nfs/dbraw/zinc/12/60/33/429126033.db2.gz IRTQFMUYMGHUTE-XJKSGUPXSA-N 2 1 302.422 2.832 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@@H](C)C1 ZINC000435132301 429126035 /nfs/dbraw/zinc/12/60/35/429126035.db2.gz IRTQFMUYMGHUTE-XJKSGUPXSA-N 2 1 302.422 2.832 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@@H](C)C1 ZINC000435132301 429126040 /nfs/dbraw/zinc/12/60/40/429126040.db2.gz IRTQFMUYMGHUTE-XJKSGUPXSA-N 2 1 302.422 2.832 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@@H](C)C1 ZINC000435132301 429126043 /nfs/dbraw/zinc/12/60/43/429126043.db2.gz IRTQFMUYMGHUTE-XJKSGUPXSA-N 2 1 302.422 2.832 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1OC ZINC000424387579 429133533 /nfs/dbraw/zinc/13/35/33/429133533.db2.gz YMOXUYHFPAINNK-OAHLLOKOSA-N 2 1 318.461 2.976 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000435382189 429135957 /nfs/dbraw/zinc/13/59/57/429135957.db2.gz CAKHUEUHPYYTIX-OAHLLOKOSA-N 2 1 311.429 2.928 20 0 DFADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435384724 429137024 /nfs/dbraw/zinc/13/70/24/429137024.db2.gz NXNIWNNBFQTRPK-KRWDZBQOSA-N 3 1 313.449 2.540 20 0 DFADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCC[NH2+]CC1 ZINC000435384724 429137030 /nfs/dbraw/zinc/13/70/30/429137030.db2.gz NXNIWNNBFQTRPK-KRWDZBQOSA-N 3 1 313.449 2.540 20 0 DFADMP CC[N@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435382348 429137433 /nfs/dbraw/zinc/13/74/33/429137433.db2.gz YZZOVGBPOWTTPE-OAHLLOKOSA-N 2 1 306.841 2.952 20 0 DFADMP CC[N@@H+](Cc1cn2cc(Cl)ccc2n1)[C@@H]1CCC[NH2+]CC1 ZINC000435382348 429137437 /nfs/dbraw/zinc/13/74/37/429137437.db2.gz YZZOVGBPOWTTPE-OAHLLOKOSA-N 2 1 306.841 2.952 20 0 DFADMP CC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@@H]1CCC[NH2+]CC1 ZINC000435394663 429139289 /nfs/dbraw/zinc/13/92/89/429139289.db2.gz OMULEIKWTJWDEI-QGZVFWFLSA-N 2 1 302.466 2.646 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000487195441 429141055 /nfs/dbraw/zinc/14/10/55/429141055.db2.gz CYSJYPVAGXJRNG-JQHSSLGASA-N 2 1 317.477 2.668 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000424438474 429141813 /nfs/dbraw/zinc/14/18/13/429141813.db2.gz PTBFGBOJBDPPBY-GASCZTMLSA-N 2 1 318.465 2.838 20 0 DFADMP c1[nH]nc2c1CC[C@@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000363936530 429142634 /nfs/dbraw/zinc/14/26/34/429142634.db2.gz HDXAGISCBQMJNO-GOSISDBHSA-N 2 1 310.445 2.521 20 0 DFADMP CC1CC[NH+](CC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000364061114 429164187 /nfs/dbraw/zinc/16/41/87/429164187.db2.gz YIOOUBHJZYVQEX-LJQANCHMSA-N 3 1 307.526 2.915 20 0 DFADMP CC1CC[NH+](CC2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000364061114 429164190 /nfs/dbraw/zinc/16/41/90/429164190.db2.gz YIOOUBHJZYVQEX-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP CC1CC[NH+](CC2CCN(CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000364061114 429164193 /nfs/dbraw/zinc/16/41/93/429164193.db2.gz YIOOUBHJZYVQEX-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H]1C ZINC000494927290 429165254 /nfs/dbraw/zinc/16/52/54/429165254.db2.gz ZUMFJPZYCBXBFL-MDZRGWNJSA-N 2 1 301.478 2.568 20 0 DFADMP C[NH2+]CCC[NH+]1CCC([C@@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000435876652 429168254 /nfs/dbraw/zinc/16/82/54/429168254.db2.gz JXZLNOHNNLTSII-INIZCTEOSA-N 2 1 321.852 2.697 20 0 DFADMP CC(C)OCCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696460 429158583 /nfs/dbraw/zinc/15/85/83/429158583.db2.gz PVJIBOCGUORQSI-HNNXBMFYSA-N 2 1 323.506 2.902 20 0 DFADMP CC(C)OCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435696460 429158584 /nfs/dbraw/zinc/15/85/84/429158584.db2.gz PVJIBOCGUORQSI-HNNXBMFYSA-N 2 1 323.506 2.902 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436297769 429196184 /nfs/dbraw/zinc/19/61/84/429196184.db2.gz NXPUSLGUIHFJMD-ATZDWAIDSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436297769 429196189 /nfs/dbraw/zinc/19/61/89/429196189.db2.gz NXPUSLGUIHFJMD-ATZDWAIDSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297769 429196196 /nfs/dbraw/zinc/19/61/96/429196196.db2.gz NXPUSLGUIHFJMD-ATZDWAIDSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436297769 429196201 /nfs/dbraw/zinc/19/62/01/429196201.db2.gz NXPUSLGUIHFJMD-ATZDWAIDSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297769 429196207 /nfs/dbraw/zinc/19/62/07/429196207.db2.gz NXPUSLGUIHFJMD-ATZDWAIDSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000364477541 429211232 /nfs/dbraw/zinc/21/12/32/429211232.db2.gz ANJTVNHDKHGORZ-DQFJOQKMSA-N 2 1 320.452 2.580 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000364481935 429212069 /nfs/dbraw/zinc/21/20/69/429212069.db2.gz HAQNWMRLIVNBLA-FUHWJXTLSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000364481935 429212075 /nfs/dbraw/zinc/21/20/75/429212075.db2.gz HAQNWMRLIVNBLA-FUHWJXTLSA-N 2 1 302.462 2.649 20 0 DFADMP Brc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000364577570 429227008 /nfs/dbraw/zinc/22/70/08/429227008.db2.gz MHGYEWKTRJDHBO-SNVBAGLBSA-N 2 1 310.195 2.591 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000364397012 429196537 /nfs/dbraw/zinc/19/65/37/429196537.db2.gz YWUPPMSHTJXKQG-INIZCTEOSA-N 2 1 321.509 2.630 20 0 DFADMP Cn1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000364442389 429204979 /nfs/dbraw/zinc/20/49/79/429204979.db2.gz QSYLTSIJFYWTNV-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP C[N@H+](CCN1CCCc2ccccc21)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364670994 429246502 /nfs/dbraw/zinc/24/65/02/429246502.db2.gz ISQNSRUYSWOGLW-KRWDZBQOSA-N 2 1 324.472 2.830 20 0 DFADMP C[N@@H+](CCN1CCCc2ccccc21)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364670994 429246504 /nfs/dbraw/zinc/24/65/04/429246504.db2.gz ISQNSRUYSWOGLW-KRWDZBQOSA-N 2 1 324.472 2.830 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000495716047 429252417 /nfs/dbraw/zinc/25/24/17/429252417.db2.gz GKLHKVKVHMSMRX-ZIAGYGMSSA-N 2 1 324.469 2.863 20 0 DFADMP C[N@@H+](Cc1nc2ccc(F)cc2o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364709804 429252992 /nfs/dbraw/zinc/25/29/92/429252992.db2.gz PGSMBPGJEFTECH-LBPRGKRZSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](Cc1nc2ccc(F)cc2o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364709804 429252996 /nfs/dbraw/zinc/25/29/96/429252996.db2.gz PGSMBPGJEFTECH-LBPRGKRZSA-N 2 1 314.364 2.858 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CC2 ZINC000365138142 429275726 /nfs/dbraw/zinc/27/57/26/429275726.db2.gz OKLMDJMEXWSDPT-MRXNPFEDSA-N 2 1 313.449 2.572 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000449079831 429327130 /nfs/dbraw/zinc/32/71/30/429327130.db2.gz QHVNXXCLMPWRKQ-UHFFFAOYSA-N 2 1 312.498 2.815 20 0 DFADMP CC[N@@H+](CCOC)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365508036 429331832 /nfs/dbraw/zinc/33/18/32/429331832.db2.gz NGIJQJLXYWYQCB-UHFFFAOYSA-N 2 1 320.481 2.846 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000449102004 429332808 /nfs/dbraw/zinc/33/28/08/429332808.db2.gz HWNZLKQOVBLRMM-PXNSSMCTSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000449102004 429332810 /nfs/dbraw/zinc/33/28/10/429332810.db2.gz HWNZLKQOVBLRMM-PXNSSMCTSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3cccnc3o2)C[C@H](C)O1 ZINC000449104288 429333234 /nfs/dbraw/zinc/33/32/34/429333234.db2.gz UTCAFLXZNCQKKO-GASCZTMLSA-N 2 1 317.433 2.807 20 0 DFADMP CC(C)C[C@@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000504438643 429335964 /nfs/dbraw/zinc/33/59/64/429335964.db2.gz NGIJFWYANWGQJS-VQTJNVASSA-N 2 1 315.505 2.796 20 0 DFADMP CC(C)C[C@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000504438642 429336534 /nfs/dbraw/zinc/33/65/34/429336534.db2.gz NGIJFWYANWGQJS-UXHICEINSA-N 2 1 315.505 2.796 20 0 DFADMP Cc1cnc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)s1 ZINC000449138995 429341266 /nfs/dbraw/zinc/34/12/66/429341266.db2.gz FFZTVWLOLHZFDX-UHFFFAOYSA-N 2 1 302.447 2.914 20 0 DFADMP CCCCC[C@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365586095 429345825 /nfs/dbraw/zinc/34/58/25/429345825.db2.gz SXXQOEUMUZEYAE-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCCC[C@H](C)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365586095 429345828 /nfs/dbraw/zinc/34/58/28/429345828.db2.gz SXXQOEUMUZEYAE-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CO[C@H](C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000425425446 429292517 /nfs/dbraw/zinc/29/25/17/429292517.db2.gz UGZGEDAMRLAYDC-GOSISDBHSA-N 2 1 303.450 2.655 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445729 429299164 /nfs/dbraw/zinc/29/91/64/429299164.db2.gz NENJHMKBACBGRK-LJQANCHMSA-N 2 1 308.429 2.671 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445729 429299167 /nfs/dbraw/zinc/29/91/67/429299167.db2.gz NENJHMKBACBGRK-LJQANCHMSA-N 2 1 308.429 2.671 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445729 429299171 /nfs/dbraw/zinc/29/91/71/429299171.db2.gz NENJHMKBACBGRK-LJQANCHMSA-N 2 1 308.429 2.671 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445729 429299175 /nfs/dbraw/zinc/29/91/75/429299175.db2.gz NENJHMKBACBGRK-LJQANCHMSA-N 2 1 308.429 2.671 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(-c4ccccn4)nc3)C2)C1 ZINC000425445729 429299177 /nfs/dbraw/zinc/29/91/77/429299177.db2.gz NENJHMKBACBGRK-LJQANCHMSA-N 2 1 308.429 2.671 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000495962347 429300653 /nfs/dbraw/zinc/30/06/53/429300653.db2.gz WKQWMCGQBNLJTB-UHFFFAOYSA-N 2 1 313.486 2.706 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CCN2CCCc3ccccc32)CC1 ZINC000365404449 429313398 /nfs/dbraw/zinc/31/33/98/429313398.db2.gz PVVZEQWJRVKVLR-SFHVURJKSA-N 2 1 301.478 2.855 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@](O)(C2CC2)C1 ZINC000426534677 429399968 /nfs/dbraw/zinc/39/99/68/429399968.db2.gz XKCJWCGNTJXAPU-FQEVSTJZSA-N 2 1 316.489 2.991 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@@](O)(C2CC2)C1 ZINC000426534677 429399971 /nfs/dbraw/zinc/39/99/71/429399971.db2.gz XKCJWCGNTJXAPU-FQEVSTJZSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000426534677 429399972 /nfs/dbraw/zinc/39/99/72/429399972.db2.gz XKCJWCGNTJXAPU-FQEVSTJZSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000426534677 429399975 /nfs/dbraw/zinc/39/99/75/429399975.db2.gz XKCJWCGNTJXAPU-FQEVSTJZSA-N 2 1 316.489 2.991 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426688336 429408777 /nfs/dbraw/zinc/40/87/77/429408777.db2.gz PRHGYFRSIRPLIS-QGZVFWFLSA-N 2 1 323.525 2.689 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425919234 429351173 /nfs/dbraw/zinc/35/11/73/429351173.db2.gz ITZBFEXLAZJGOD-STQMWFEESA-N 2 1 307.438 2.502 20 0 DFADMP CCOc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425899735 429351691 /nfs/dbraw/zinc/35/16/91/429351691.db2.gz MDBDONNWQHNVRU-UHFFFAOYSA-N 2 1 315.417 2.830 20 0 DFADMP CC/C=C\CC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425935173 429352365 /nfs/dbraw/zinc/35/23/65/429352365.db2.gz CJQMLSHVKSIUAB-HMECNJMJSA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C\CC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000425935173 429352369 /nfs/dbraw/zinc/35/23/69/429352369.db2.gz CJQMLSHVKSIUAB-HMECNJMJSA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C\CC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000425935173 429352371 /nfs/dbraw/zinc/35/23/71/429352371.db2.gz CJQMLSHVKSIUAB-HMECNJMJSA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C\CC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000425935173 429352376 /nfs/dbraw/zinc/35/23/76/429352376.db2.gz CJQMLSHVKSIUAB-HMECNJMJSA-N 2 1 302.462 2.912 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000425981307 429356255 /nfs/dbraw/zinc/35/62/55/429356255.db2.gz QRUHLQOBXWCXLY-GASCZTMLSA-N 2 1 316.836 2.724 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000425981307 429356258 /nfs/dbraw/zinc/35/62/58/429356258.db2.gz QRUHLQOBXWCXLY-GASCZTMLSA-N 2 1 316.836 2.724 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000425981307 429356262 /nfs/dbraw/zinc/35/62/62/429356262.db2.gz QRUHLQOBXWCXLY-GASCZTMLSA-N 2 1 316.836 2.724 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@@H]2C1 ZINC000425981307 429356264 /nfs/dbraw/zinc/35/62/64/429356264.db2.gz QRUHLQOBXWCXLY-GASCZTMLSA-N 2 1 316.836 2.724 20 0 DFADMP CC[C@](C)(CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449218254 429359938 /nfs/dbraw/zinc/35/99/38/429359938.db2.gz GRASTJDJDDAZES-VQIMIIECSA-N 2 1 304.478 2.833 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000513755175 429362420 /nfs/dbraw/zinc/36/24/20/429362420.db2.gz QKBFGXNVIWPZGV-BJLQDIEVSA-N 2 1 313.489 2.902 20 0 DFADMP COCC(C)(C)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000491469448 429363635 /nfs/dbraw/zinc/36/36/35/429363635.db2.gz CJYFUOVVYQIVRA-UHFFFAOYSA-N 2 1 311.495 2.672 20 0 DFADMP CCN(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)CCC(F)(F)F ZINC000426079365 429365394 /nfs/dbraw/zinc/36/53/94/429365394.db2.gz PEWKBNCQEIEDPA-KBPBESRZSA-N 2 1 309.420 2.581 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000514660600 429368421 /nfs/dbraw/zinc/36/84/21/429368421.db2.gz VYQQCRBHFBJHCA-QWHCGFSZSA-N 2 1 322.403 2.718 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000514738830 429370603 /nfs/dbraw/zinc/37/06/03/429370603.db2.gz LAQVJVLLTARRMD-ZWKOTPCHSA-N 2 1 319.493 2.767 20 0 DFADMP Cc1nn2c(C[NH2+]C[C@H](C)C[NH+](C)C)c(C(C)C)nc2s1 ZINC000491596078 429378721 /nfs/dbraw/zinc/37/87/21/429378721.db2.gz HEGODHLRZTUKES-NSHDSACASA-N 2 1 309.483 2.510 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)s1 ZINC000426290606 429380951 /nfs/dbraw/zinc/38/09/51/429380951.db2.gz PSDCDAOKWFWRCN-MGPQQGTHSA-N 2 1 308.495 2.666 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000426385634 429387825 /nfs/dbraw/zinc/38/78/25/429387825.db2.gz PPTSKYDESGRKPV-KSZLIROESA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449326209 429388679 /nfs/dbraw/zinc/38/86/79/429388679.db2.gz TVMFUEPNFZBWTP-IXDOHACOSA-N 2 1 309.498 2.522 20 0 DFADMP CC(C)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H](CO)C(C)C ZINC000449506648 429438492 /nfs/dbraw/zinc/43/84/92/429438492.db2.gz CUPJSAXKSJBCRN-GOEBONIOSA-N 2 1 313.511 2.583 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427297197 429444237 /nfs/dbraw/zinc/44/42/37/429444237.db2.gz YLVMAHUOWJYXSL-SJORKVTESA-N 2 1 309.498 2.537 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCSC[C@@H]1C1CC1 ZINC000449528743 429446562 /nfs/dbraw/zinc/44/65/62/429446562.db2.gz RPCXUFOBDWRUOA-QGZVFWFLSA-N 2 1 314.458 2.903 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000519161618 429449303 /nfs/dbraw/zinc/44/93/03/429449303.db2.gz KFXSIDCJLIZEGI-IBGZPJMESA-N 2 1 311.429 2.878 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366533948 429470778 /nfs/dbraw/zinc/47/07/78/429470778.db2.gz JISOHSNYYZSNQP-SFHVURJKSA-N 2 1 304.482 2.783 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449562031 429449889 /nfs/dbraw/zinc/44/98/89/429449889.db2.gz ZKAZWYJIWXAFKQ-RJCAOGMDSA-N 2 1 319.424 2.758 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1)C1CC1 ZINC000449571343 429451903 /nfs/dbraw/zinc/45/19/03/429451903.db2.gz JVRSIVBMZJWNSW-AWEZNQCLSA-N 2 1 303.450 2.528 20 0 DFADMP C[C@H]([NH2+]CCC1(CO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449576864 429453807 /nfs/dbraw/zinc/45/38/07/429453807.db2.gz BUCSWNLLWXEAAB-WMZOPIPTSA-N 2 1 302.462 2.649 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](CO)CC(C)(C)C ZINC000449582120 429453845 /nfs/dbraw/zinc/45/38/45/429453845.db2.gz DRFYGGHLKAXWDC-KRWDZBQOSA-N 2 1 316.449 2.805 20 0 DFADMP c1c[nH]c([C@H](N[C@H]2CC[N@H+](C3CCCC3)C2)c2cccnc2)n1 ZINC000366453000 429455301 /nfs/dbraw/zinc/45/53/01/429455301.db2.gz SFMFPQJKJZGGCB-DOTOQJQBSA-N 2 1 311.433 2.501 20 0 DFADMP CC(C)[NH2+]CCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000519537460 429462753 /nfs/dbraw/zinc/46/27/53/429462753.db2.gz FSKUDOMDWHNVNZ-SLFFLAALSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000519537460 429462757 /nfs/dbraw/zinc/46/27/57/429462757.db2.gz FSKUDOMDWHNVNZ-SLFFLAALSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000519537460 429462760 /nfs/dbraw/zinc/46/27/60/429462760.db2.gz FSKUDOMDWHNVNZ-SLFFLAALSA-N 3 1 315.505 2.875 20 0 DFADMP CCc1cccc(C[NH2+]CCCCN2CC[NH+](CC)CC2)c1 ZINC000518780485 429434431 /nfs/dbraw/zinc/43/44/31/429434431.db2.gz QBXBDJHQGZMEHP-UHFFFAOYSA-N 2 1 303.494 2.756 20 0 DFADMP FC(F)(F)c1cnc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000366859598 429526745 /nfs/dbraw/zinc/52/67/45/429526745.db2.gz YJIURMBTBSPZPH-VIFPVBQESA-N 2 1 316.352 2.711 20 0 DFADMP CN(C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C1CCCCC1 ZINC000366866405 429529814 /nfs/dbraw/zinc/52/98/14/429529814.db2.gz QMRRNJDTFRDMQT-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136424 429473468 /nfs/dbraw/zinc/47/34/68/429473468.db2.gz SRZQRZIHPCTMOQ-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136424 429473470 /nfs/dbraw/zinc/47/34/70/429473470.db2.gz SRZQRZIHPCTMOQ-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136424 429473475 /nfs/dbraw/zinc/47/34/75/429473475.db2.gz SRZQRZIHPCTMOQ-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136424 429473477 /nfs/dbraw/zinc/47/34/77/429473477.db2.gz SRZQRZIHPCTMOQ-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@@H](C)C1 ZINC000449691934 429481140 /nfs/dbraw/zinc/48/11/40/429481140.db2.gz ZBAALBKOAQVZGX-WMLDXEAASA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@@H](C)C1 ZINC000449691934 429481144 /nfs/dbraw/zinc/48/11/44/429481144.db2.gz ZBAALBKOAQVZGX-WMLDXEAASA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722337 429488043 /nfs/dbraw/zinc/48/80/43/429488043.db2.gz KPJZHPOGGLTHHZ-NVXWUHKLSA-N 2 1 315.461 2.528 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC(=O)OC(C)(C)C)C2)c1 ZINC000366686968 429493540 /nfs/dbraw/zinc/49/35/40/429493540.db2.gz QFCKDVDXPLXWSI-OAHLLOKOSA-N 2 1 319.449 2.856 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC(=O)OC(C)(C)C)C2)c1 ZINC000366686968 429493543 /nfs/dbraw/zinc/49/35/43/429493543.db2.gz QFCKDVDXPLXWSI-OAHLLOKOSA-N 2 1 319.449 2.856 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@]1(C)CCCO1 ZINC000428210926 429499245 /nfs/dbraw/zinc/49/92/45/429499245.db2.gz WIUUQONXHXDBDD-LPHOPBHVSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1nc(C(C)C)oc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000428207070 429499483 /nfs/dbraw/zinc/49/94/83/429499483.db2.gz OMIWRLCBBZVSET-CQSZACIVSA-N 2 1 323.481 2.631 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCN2CCc3ccccc32)C[C@H]1C ZINC000428237442 429504418 /nfs/dbraw/zinc/50/44/18/429504418.db2.gz MVVFHMVCHXXQSJ-SJLPKXTDSA-N 2 1 301.478 2.854 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCN2CCc3ccccc32)C[C@H]1C ZINC000428237442 429504420 /nfs/dbraw/zinc/50/44/20/429504420.db2.gz MVVFHMVCHXXQSJ-SJLPKXTDSA-N 2 1 301.478 2.854 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCN2CCc3ccccc32)C[C@H]1C ZINC000428237442 429504423 /nfs/dbraw/zinc/50/44/23/429504423.db2.gz MVVFHMVCHXXQSJ-SJLPKXTDSA-N 2 1 301.478 2.854 20 0 DFADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)s2)c1 ZINC000366744781 429506004 /nfs/dbraw/zinc/50/60/04/429506004.db2.gz KDHVTCFDKGGJPT-GFCCVEGCSA-N 2 1 314.414 2.952 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449782658 429506531 /nfs/dbraw/zinc/50/65/31/429506531.db2.gz LKFULCNJDLYTQX-OAHLLOKOSA-N 2 1 303.450 2.868 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449782658 429506535 /nfs/dbraw/zinc/50/65/35/429506535.db2.gz LKFULCNJDLYTQX-OAHLLOKOSA-N 2 1 303.450 2.868 20 0 DFADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449780493 429506641 /nfs/dbraw/zinc/50/66/41/429506641.db2.gz GBQZFKYSFKJIEA-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449780493 429506646 /nfs/dbraw/zinc/50/66/46/429506646.db2.gz GBQZFKYSFKJIEA-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@@H]1C ZINC000449780453 429506665 /nfs/dbraw/zinc/50/66/65/429506665.db2.gz FZTFWOCWHWNGMY-ARFHVFGLSA-N 2 1 310.482 2.818 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@@H]1C ZINC000449780453 429506668 /nfs/dbraw/zinc/50/66/68/429506668.db2.gz FZTFWOCWHWNGMY-ARFHVFGLSA-N 2 1 310.482 2.818 20 0 DFADMP C(CC[NH+]1CCO[C@H]2CCC[C@H]21)CC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000366757784 429509248 /nfs/dbraw/zinc/50/92/48/429509248.db2.gz NHGVHQXZZAXYKL-YRXWBPOGSA-N 2 1 322.493 2.663 20 0 DFADMP CC[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC000449838876 429523303 /nfs/dbraw/zinc/52/33/03/429523303.db2.gz JIYAAHBAKVVPDE-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC000449838876 429523309 /nfs/dbraw/zinc/52/33/09/429523309.db2.gz JIYAAHBAKVVPDE-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP CC[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC000449838876 429523314 /nfs/dbraw/zinc/52/33/14/429523314.db2.gz JIYAAHBAKVVPDE-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)nc(C)[nH+]1 ZINC000367032659 429562682 /nfs/dbraw/zinc/56/26/82/429562682.db2.gz BMJXSZSRJRXBBS-HZMVEIRTSA-N 2 1 300.450 2.840 20 0 DFADMP COc1ncc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000367071443 429572034 /nfs/dbraw/zinc/57/20/34/429572034.db2.gz BMHMHLNIRBHWOJ-PWSUYJOCSA-N 2 1 306.797 2.606 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024775 429573200 /nfs/dbraw/zinc/57/32/00/429573200.db2.gz HIHAITPQNRBOCG-INIZCTEOSA-N 2 1 312.816 2.886 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024775 429573205 /nfs/dbraw/zinc/57/32/05/429573205.db2.gz HIHAITPQNRBOCG-INIZCTEOSA-N 2 1 312.816 2.886 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024775 429573209 /nfs/dbraw/zinc/57/32/09/429573209.db2.gz HIHAITPQNRBOCG-INIZCTEOSA-N 2 1 312.816 2.886 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024775 429573211 /nfs/dbraw/zinc/57/32/11/429573211.db2.gz HIHAITPQNRBOCG-INIZCTEOSA-N 2 1 312.816 2.886 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024775 429573216 /nfs/dbraw/zinc/57/32/16/429573216.db2.gz HIHAITPQNRBOCG-INIZCTEOSA-N 2 1 312.816 2.886 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117328 429580393 /nfs/dbraw/zinc/58/03/93/429580393.db2.gz NZDDJPBTGHXGFK-LPHOPBHVSA-N 2 1 301.478 2.848 20 0 DFADMP CCc1cc(N2CC[NH+](Cc3c(C)noc3C)CC2)cc[nH+]1 ZINC000450250973 429586249 /nfs/dbraw/zinc/58/62/49/429586249.db2.gz PRGOGMOWLJMSCC-UHFFFAOYSA-N 2 1 300.406 2.571 20 0 DFADMP CC(C)C[C@@H](C)C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000366897111 429535105 /nfs/dbraw/zinc/53/51/05/429535105.db2.gz PIYYUZLMWMPMLH-QGZVFWFLSA-N 2 1 323.525 2.545 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)cs1 ZINC000366916138 429540547 /nfs/dbraw/zinc/54/05/47/429540547.db2.gz LYESXTLGNSPUKW-QGZVFWFLSA-N 2 1 323.506 2.918 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)cs1 ZINC000366916138 429540553 /nfs/dbraw/zinc/54/05/53/429540553.db2.gz LYESXTLGNSPUKW-QGZVFWFLSA-N 2 1 323.506 2.918 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc4c(c3)CCO4)C2)CC1 ZINC000366951291 429545700 /nfs/dbraw/zinc/54/57/00/429545700.db2.gz ISANCHIYDLBJPT-UHFFFAOYSA-N 2 1 300.446 2.929 20 0 DFADMP CCc1noc([C@H](C)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000367309498 429616748 /nfs/dbraw/zinc/61/67/48/429616748.db2.gz JBFOXYBQIQFJNE-KBPBESRZSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@H](C)[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000367309498 429616751 /nfs/dbraw/zinc/61/67/51/429616751.db2.gz JBFOXYBQIQFJNE-KBPBESRZSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@H](C)[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000367309498 429616757 /nfs/dbraw/zinc/61/67/57/429616757.db2.gz JBFOXYBQIQFJNE-KBPBESRZSA-N 2 1 318.465 2.889 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450414951 429622171 /nfs/dbraw/zinc/62/21/71/429622171.db2.gz ZOJAMISORARLQB-UHFFFAOYSA-N 2 1 310.869 2.661 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450414951 429622174 /nfs/dbraw/zinc/62/21/74/429622174.db2.gz ZOJAMISORARLQB-UHFFFAOYSA-N 2 1 310.869 2.661 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450438099 429625470 /nfs/dbraw/zinc/62/54/70/429625470.db2.gz JWYDSTRZYDWBSN-QRQLOZEOSA-N 2 1 304.478 2.957 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450452241 429629388 /nfs/dbraw/zinc/62/93/88/429629388.db2.gz LUOHURXNEWLCRF-MOPGFXCFSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000450452241 429629390 /nfs/dbraw/zinc/62/93/90/429629390.db2.gz LUOHURXNEWLCRF-MOPGFXCFSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000450452241 429629396 /nfs/dbraw/zinc/62/93/96/429629396.db2.gz LUOHURXNEWLCRF-MOPGFXCFSA-N 2 1 307.526 2.913 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000524720213 429630329 /nfs/dbraw/zinc/63/03/29/429630329.db2.gz CVTZXTHGHTWIFC-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H](O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450456783 429631080 /nfs/dbraw/zinc/63/10/80/429631080.db2.gz UKDIUACCQOYUMG-HKUYNNGSSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450456783 429631086 /nfs/dbraw/zinc/63/10/86/429631086.db2.gz UKDIUACCQOYUMG-HKUYNNGSSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450456783 429631092 /nfs/dbraw/zinc/63/10/92/429631092.db2.gz UKDIUACCQOYUMG-HKUYNNGSSA-N 2 1 302.462 2.745 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000450458027 429632214 /nfs/dbraw/zinc/63/22/14/429632214.db2.gz WWKUPVSJUQAFGE-LJQANCHMSA-N 2 1 318.461 2.822 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463782 429632942 /nfs/dbraw/zinc/63/29/42/429632942.db2.gz SAZDGQOLVGESAR-ZIFCJYIRSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463782 429632946 /nfs/dbraw/zinc/63/29/46/429632946.db2.gz SAZDGQOLVGESAR-ZIFCJYIRSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463782 429632949 /nfs/dbraw/zinc/63/29/49/429632949.db2.gz SAZDGQOLVGESAR-ZIFCJYIRSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450471603 429636441 /nfs/dbraw/zinc/63/64/41/429636441.db2.gz WIRGCNQSBLCVQF-LPHOPBHVSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000523509862 429609042 /nfs/dbraw/zinc/60/90/42/429609042.db2.gz PUMMKAPJNRHCHM-BZUAXINKSA-N 2 1 309.498 2.581 20 0 DFADMP Cc1[nH+]c2ccccc2c(NC[C@H]2CCC[N@H+]2CCCO)c1C ZINC000450596606 429655617 /nfs/dbraw/zinc/65/56/17/429655617.db2.gz NMHCWIPTOIVALW-MRXNPFEDSA-N 2 1 313.445 2.532 20 0 DFADMP Cc1cccc(C)c1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000525686439 429666753 /nfs/dbraw/zinc/66/67/53/429666753.db2.gz YTFNQTXOOXZLDJ-IBGZPJMESA-N 2 1 315.505 2.904 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000262179397 276024266 /nfs/dbraw/zinc/02/42/66/276024266.db2.gz RTAWEYJQIXRRMW-CRAIPNDOSA-N 2 1 317.477 2.805 20 0 DFADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000358287154 276084487 /nfs/dbraw/zinc/08/44/87/276084487.db2.gz IWDPROZZPLWYII-ZACQAIPSSA-N 2 1 302.466 2.538 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CSC[C@H]3C)sc2C1 ZINC000367576371 429676429 /nfs/dbraw/zinc/67/64/29/429676429.db2.gz PXWFCPQBAUALDI-DGCLKSJQSA-N 2 1 311.520 2.751 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CSC[C@H]3C)sc2C1 ZINC000367576371 429676432 /nfs/dbraw/zinc/67/64/32/429676432.db2.gz PXWFCPQBAUALDI-DGCLKSJQSA-N 2 1 311.520 2.751 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000368780676 276096464 /nfs/dbraw/zinc/09/64/64/276096464.db2.gz AWJOYUQXCIWYCS-AWEZNQCLSA-N 2 1 324.494 2.526 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](C(=O)Nc2nccs2)C1 ZINC000368780676 276096465 /nfs/dbraw/zinc/09/64/65/276096465.db2.gz AWJOYUQXCIWYCS-AWEZNQCLSA-N 2 1 324.494 2.526 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC000525752070 429670583 /nfs/dbraw/zinc/67/05/83/429670583.db2.gz NYGIYERXXZDHNW-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360015790 276106431 /nfs/dbraw/zinc/10/64/31/276106431.db2.gz JOPGUIRNCTVFFX-KRWDZBQOSA-N 2 1 318.461 2.664 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)OCCO3)C1 ZINC000360015790 276106433 /nfs/dbraw/zinc/10/64/33/276106433.db2.gz JOPGUIRNCTVFFX-KRWDZBQOSA-N 2 1 318.461 2.664 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCC[C@@H]21 ZINC000367601821 429681882 /nfs/dbraw/zinc/68/18/82/429681882.db2.gz PRPQCXNFNJCABU-QAETUUGQSA-N 2 1 308.853 2.836 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3sccc3C2)[C@H](C)C1 ZINC000247185072 276229168 /nfs/dbraw/zinc/22/91/68/276229168.db2.gz ZLDXVJFBGIPANL-VYDXJSESSA-N 2 1 321.534 2.815 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849761 276229448 /nfs/dbraw/zinc/22/94/48/276229448.db2.gz CZRUFKMMAWWMOC-LEAZDLGRSA-N 2 1 315.505 2.999 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849761 276229449 /nfs/dbraw/zinc/22/94/49/276229449.db2.gz CZRUFKMMAWWMOC-LEAZDLGRSA-N 2 1 315.505 2.999 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000369849761 276229450 /nfs/dbraw/zinc/22/94/50/276229450.db2.gz CZRUFKMMAWWMOC-LEAZDLGRSA-N 2 1 315.505 2.999 20 0 DFADMP Clc1ccc2[nH+]ccc(NCC[N@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000450788405 429699571 /nfs/dbraw/zinc/69/95/71/429699571.db2.gz HQWQLBCKJNPJPN-OKILXGFUSA-N 2 1 317.820 2.585 20 0 DFADMP Clc1ccc2[nH+]ccc(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)c2c1 ZINC000450788405 429699576 /nfs/dbraw/zinc/69/95/76/429699576.db2.gz HQWQLBCKJNPJPN-OKILXGFUSA-N 2 1 317.820 2.585 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000430564305 429692090 /nfs/dbraw/zinc/69/20/90/429692090.db2.gz LKSBCHASIGTPJG-YDHLFZDLSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000430564305 429692093 /nfs/dbraw/zinc/69/20/93/429692093.db2.gz LKSBCHASIGTPJG-YDHLFZDLSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430561283 429692323 /nfs/dbraw/zinc/69/23/23/429692323.db2.gz ZSMUMVZMANGWOF-UONOGXRCSA-N 2 1 323.506 2.717 20 0 DFADMP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430561283 429692328 /nfs/dbraw/zinc/69/23/28/429692328.db2.gz ZSMUMVZMANGWOF-UONOGXRCSA-N 2 1 323.506 2.717 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000276868163 276324163 /nfs/dbraw/zinc/32/41/63/276324163.db2.gz HGSUKEXRKSMWKT-UHFFFAOYSA-N 2 1 319.493 2.942 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C)cc1 ZINC000276868163 276324165 /nfs/dbraw/zinc/32/41/65/276324165.db2.gz HGSUKEXRKSMWKT-UHFFFAOYSA-N 2 1 319.493 2.942 20 0 DFADMP Cc1cc(C)cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367662128 429696031 /nfs/dbraw/zinc/69/60/31/429696031.db2.gz UUAQHBZODYDNHI-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP CCCCc1nc(C[NH+]2CCC(OCCC[NH3+])CC2)cs1 ZINC000430584239 429696077 /nfs/dbraw/zinc/69/60/77/429696077.db2.gz UPZJDBVKUKKABK-UHFFFAOYSA-N 2 1 311.495 2.816 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578341 429697391 /nfs/dbraw/zinc/69/73/91/429697391.db2.gz YLUXZRDCLJAKBE-QWHCGFSZSA-N 2 1 309.841 2.728 20 0 DFADMP CNC(=O)CC[C@H]1CCCC[N@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450993398 429745867 /nfs/dbraw/zinc/74/58/67/429745867.db2.gz VRQMJDFYVYWZMX-SJORKVTESA-N 2 1 309.498 2.630 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430599450 429700535 /nfs/dbraw/zinc/70/05/35/429700535.db2.gz QKXCRJJQPYIDIX-OWCLPIDISA-N 2 1 303.450 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430599450 429700537 /nfs/dbraw/zinc/70/05/37/429700537.db2.gz QKXCRJJQPYIDIX-OWCLPIDISA-N 2 1 303.450 2.690 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430643516 429704861 /nfs/dbraw/zinc/70/48/61/429704861.db2.gz MBUSOMDWCZCOGB-BQFCYCMXSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430643516 429704864 /nfs/dbraw/zinc/70/48/64/429704864.db2.gz MBUSOMDWCZCOGB-BQFCYCMXSA-N 2 1 317.477 2.703 20 0 DFADMP CC(C)c1cc(NC[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462777271 429706180 /nfs/dbraw/zinc/70/61/80/429706180.db2.gz LRFHEYKJRDLGAV-HUUCEWRRSA-N 2 1 319.497 3.198 20 0 DFADMP CC(C)c1cc(NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462777271 429706183 /nfs/dbraw/zinc/70/61/83/429706183.db2.gz LRFHEYKJRDLGAV-HUUCEWRRSA-N 2 1 319.497 3.198 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367785146 429716521 /nfs/dbraw/zinc/71/65/21/429716521.db2.gz WEGIVJOFZLNYOS-LJQANCHMSA-N 2 1 316.489 2.991 20 0 DFADMP CN(C(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809447 429722090 /nfs/dbraw/zinc/72/20/90/429722090.db2.gz GHASTMSWZZFZTJ-BBRMVZONSA-N 2 1 320.868 2.951 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c(F)c1 ZINC000430919117 429723130 /nfs/dbraw/zinc/72/31/30/429723130.db2.gz JTWLMHNNHLAYTE-CHWSQXEVSA-N 2 1 307.413 2.520 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1[NH3+] ZINC000430950792 429727427 /nfs/dbraw/zinc/72/74/27/429727427.db2.gz SMJPDFWVIXHCDX-BEFAXECRSA-N 2 1 311.429 2.830 20 0 DFADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000430955353 429728774 /nfs/dbraw/zinc/72/87/74/429728774.db2.gz LYWKDVZONBNFPD-GFCCVEGCSA-N 2 1 309.841 2.598 20 0 DFADMP C[C@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430951634 429729666 /nfs/dbraw/zinc/72/96/66/429729666.db2.gz VWZDKVQBYSLZBD-FZMZJTMJSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000430972725 429731520 /nfs/dbraw/zinc/73/15/20/429731520.db2.gz RIQFJUPHGUXJGD-WCQYABFASA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000430972725 429731521 /nfs/dbraw/zinc/73/15/21/429731521.db2.gz RIQFJUPHGUXJGD-WCQYABFASA-N 2 1 302.340 2.753 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000527284328 429740054 /nfs/dbraw/zinc/74/00/54/429740054.db2.gz MHXWUIFBYHIJEX-UHFFFAOYSA-N 2 1 319.449 2.815 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000527284328 429740058 /nfs/dbraw/zinc/74/00/58/429740058.db2.gz MHXWUIFBYHIJEX-UHFFFAOYSA-N 2 1 319.449 2.815 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000368145572 429796799 /nfs/dbraw/zinc/79/67/99/429796799.db2.gz HBCPTWFNWJFULW-LJQANCHMSA-N 2 1 323.440 2.665 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000368145572 429796803 /nfs/dbraw/zinc/79/68/03/429796803.db2.gz HBCPTWFNWJFULW-LJQANCHMSA-N 2 1 323.440 2.665 20 0 DFADMP Cc1csc(C[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)n1 ZINC000432074632 429798957 /nfs/dbraw/zinc/79/89/57/429798957.db2.gz CKRPKKVGCCXPAF-ZDUSSCGKSA-N 2 1 302.447 2.974 20 0 DFADMP Cc1csc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)n1 ZINC000432074632 429798961 /nfs/dbraw/zinc/79/89/61/429798961.db2.gz CKRPKKVGCCXPAF-ZDUSSCGKSA-N 2 1 302.447 2.974 20 0 DFADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3(F)CC3)CC2)CC1 ZINC000527511475 429754629 /nfs/dbraw/zinc/75/46/29/429754629.db2.gz TYRWGAPIVLKABP-UHFFFAOYSA-N 3 1 311.489 2.617 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)ccn1 ZINC000527537874 429757704 /nfs/dbraw/zinc/75/77/04/429757704.db2.gz BUEKGFRQLQEHCH-LJQANCHMSA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cc(CN2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)ccn1 ZINC000527537874 429757708 /nfs/dbraw/zinc/75/77/08/429757708.db2.gz BUEKGFRQLQEHCH-LJQANCHMSA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cc(CN2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)ccn1 ZINC000527537874 429757711 /nfs/dbraw/zinc/75/77/11/429757711.db2.gz BUEKGFRQLQEHCH-LJQANCHMSA-N 2 1 310.445 2.739 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000451070361 429762337 /nfs/dbraw/zinc/76/23/37/429762337.db2.gz OLYJJJJCVTVPDI-NZSAHSFTSA-N 2 1 302.462 2.569 20 0 DFADMP C[N@H+](CCCNC(=O)[C@H]1CCCc2[nH+]ccn21)C1CCCCC1 ZINC000368011369 429765856 /nfs/dbraw/zinc/76/58/56/429765856.db2.gz GWWZBNMSJMFENN-MRXNPFEDSA-N 2 1 318.465 2.531 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1CCCc2[nH+]ccn21)C1CCCCC1 ZINC000368011369 429765861 /nfs/dbraw/zinc/76/58/61/429765861.db2.gz GWWZBNMSJMFENN-MRXNPFEDSA-N 2 1 318.465 2.531 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000368051552 429774784 /nfs/dbraw/zinc/77/47/84/429774784.db2.gz NPRUBKIBVFYDCJ-SQNIBIBYSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431718456 429778988 /nfs/dbraw/zinc/77/89/88/429778988.db2.gz DATJMILZPSBFJN-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431718456 429778993 /nfs/dbraw/zinc/77/89/93/429778993.db2.gz DATJMILZPSBFJN-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431718456 429778999 /nfs/dbraw/zinc/77/89/99/429778999.db2.gz DATJMILZPSBFJN-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072734 429781615 /nfs/dbraw/zinc/78/16/15/429781615.db2.gz PZLKGTPZXTUKFV-OALUTQOASA-N 2 1 302.462 2.844 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072734 429781618 /nfs/dbraw/zinc/78/16/18/429781618.db2.gz PZLKGTPZXTUKFV-OALUTQOASA-N 2 1 302.462 2.844 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368072734 429781621 /nfs/dbraw/zinc/78/16/21/429781621.db2.gz PZLKGTPZXTUKFV-OALUTQOASA-N 2 1 302.462 2.844 20 0 DFADMP FC(F)COCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368091222 429785885 /nfs/dbraw/zinc/78/58/85/429785885.db2.gz VXVBZSZPXJVFLO-IAGOWNOFSA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368091222 429785888 /nfs/dbraw/zinc/78/58/88/429785888.db2.gz VXVBZSZPXJVFLO-IAGOWNOFSA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368091222 429785891 /nfs/dbraw/zinc/78/58/91/429785891.db2.gz VXVBZSZPXJVFLO-IAGOWNOFSA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000368091222 429785893 /nfs/dbraw/zinc/78/58/93/429785893.db2.gz VXVBZSZPXJVFLO-IAGOWNOFSA-N 2 1 324.415 2.722 20 0 DFADMP C[NH+](C)CCCC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431823391 429786098 /nfs/dbraw/zinc/78/60/98/429786098.db2.gz QXNIKJICDKOUOD-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP COc1ncc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000368103460 429788681 /nfs/dbraw/zinc/78/86/81/429788681.db2.gz VXEIDVYYVVTUSJ-KOLCDFICSA-N 2 1 306.797 2.675 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1OC ZINC000368103973 429789246 /nfs/dbraw/zinc/78/92/46/429789246.db2.gz ZRCABEXVZQCQKU-OLZOCXBDSA-N 2 1 315.417 2.943 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@@H]1CC12CC2 ZINC000527887770 429815461 /nfs/dbraw/zinc/81/54/61/429815461.db2.gz OYSQSPJLOVARCV-IPELMVKDSA-N 2 1 314.473 2.922 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)c2cccc(OC)c2)[C@H](C)C1 ZINC000527921030 429821693 /nfs/dbraw/zinc/82/16/93/429821693.db2.gz PTVRZYZNJYKKBO-FHLIZLRMSA-N 2 1 306.450 2.703 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000527930046 429822423 /nfs/dbraw/zinc/82/24/23/429822423.db2.gz HDKZRAHYTNKBRZ-ATNYBXOESA-N 2 1 304.434 2.535 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000527952039 429826936 /nfs/dbraw/zinc/82/69/36/429826936.db2.gz SRXFDEVIUNSMJU-RDGPPVDQSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000527952039 429826937 /nfs/dbraw/zinc/82/69/37/429826937.db2.gz SRXFDEVIUNSMJU-RDGPPVDQSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000527952039 429826940 /nfs/dbraw/zinc/82/69/40/429826940.db2.gz SRXFDEVIUNSMJU-RDGPPVDQSA-N 2 1 305.510 2.856 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000527952039 429826944 /nfs/dbraw/zinc/82/69/44/429826944.db2.gz SRXFDEVIUNSMJU-RDGPPVDQSA-N 2 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000527952039 429826950 /nfs/dbraw/zinc/82/69/50/429826950.db2.gz SRXFDEVIUNSMJU-RDGPPVDQSA-N 2 1 305.510 2.856 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC45CC(C4)CO5)[C@H]3C2)cc1 ZINC000527982095 429830585 /nfs/dbraw/zinc/83/05/85/429830585.db2.gz QLNPWSLBZAAEJN-URTMOLNLSA-N 2 1 312.457 2.666 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000528016498 429837559 /nfs/dbraw/zinc/83/75/59/429837559.db2.gz ASCNVVWGXRSWEU-KMMPOOCJSA-N 2 1 314.473 2.648 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528027408 429838992 /nfs/dbraw/zinc/83/89/92/429838992.db2.gz SWKDCIZXVIDWIB-OTWHNJEPSA-N 2 1 300.446 2.523 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529151 429843527 /nfs/dbraw/zinc/84/35/27/429843527.db2.gz MJFKJSFCZHCMET-IEBWSBKVSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529151 429843530 /nfs/dbraw/zinc/84/35/30/429843530.db2.gz MJFKJSFCZHCMET-IEBWSBKVSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529151 429843533 /nfs/dbraw/zinc/84/35/33/429843533.db2.gz MJFKJSFCZHCMET-IEBWSBKVSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529151 429843537 /nfs/dbraw/zinc/84/35/37/429843537.db2.gz MJFKJSFCZHCMET-IEBWSBKVSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000368510778 429858906 /nfs/dbraw/zinc/85/89/06/429858906.db2.gz GMNWCRFEPZNBKK-MOPGFXCFSA-N 2 1 313.445 2.680 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](c2ccccc2)[C@@H](CO)C1 ZINC000368510778 429858908 /nfs/dbraw/zinc/85/89/08/429858908.db2.gz GMNWCRFEPZNBKK-MOPGFXCFSA-N 2 1 313.445 2.680 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC12CC2 ZINC000527846604 429809187 /nfs/dbraw/zinc/80/91/87/429809187.db2.gz MGXFKBLYLCXEBP-QAPCUYQASA-N 2 1 300.446 2.797 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC12CC2 ZINC000527861220 429811718 /nfs/dbraw/zinc/81/17/18/429811718.db2.gz CMKLEODQDZXSNW-DSLXNQLJSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@@H]1CC12CC2 ZINC000527861220 429811722 /nfs/dbraw/zinc/81/17/22/429811722.db2.gz CMKLEODQDZXSNW-DSLXNQLJSA-N 2 1 314.473 2.648 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451336591 429813084 /nfs/dbraw/zinc/81/30/84/429813084.db2.gz FBCJLVPEOFJALK-RCCFBDPRSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000451336591 429813088 /nfs/dbraw/zinc/81/30/88/429813088.db2.gz FBCJLVPEOFJALK-RCCFBDPRSA-N 2 1 305.466 2.987 20 0 DFADMP C[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000368229056 429813486 /nfs/dbraw/zinc/81/34/86/429813486.db2.gz SOWNCOIQQPYMAT-CRAIPNDOSA-N 2 1 321.428 2.692 20 0 DFADMP CC[C@@H](c1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369352753 429928487 /nfs/dbraw/zinc/92/84/87/429928487.db2.gz AIZMXABJTOSMNO-OALUTQOASA-N 2 1 301.478 2.850 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000528512755 429895246 /nfs/dbraw/zinc/89/52/46/429895246.db2.gz NFUQFHJHFJHENZ-RTBURBONSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000528512755 429895248 /nfs/dbraw/zinc/89/52/48/429895248.db2.gz NFUQFHJHFJHENZ-RTBURBONSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000528512755 429895250 /nfs/dbraw/zinc/89/52/50/429895250.db2.gz NFUQFHJHFJHENZ-RTBURBONSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000528519709 429896170 /nfs/dbraw/zinc/89/61/70/429896170.db2.gz VTFZTBWIRHDPDK-ZWKOTPCHSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000528519709 429896171 /nfs/dbraw/zinc/89/61/71/429896171.db2.gz VTFZTBWIRHDPDK-ZWKOTPCHSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(F)cc1 ZINC000528519709 429896173 /nfs/dbraw/zinc/89/61/73/429896173.db2.gz VTFZTBWIRHDPDK-ZWKOTPCHSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(F)cc1 ZINC000528519709 429896174 /nfs/dbraw/zinc/89/61/74/429896174.db2.gz VTFZTBWIRHDPDK-ZWKOTPCHSA-N 2 1 306.425 2.931 20 0 DFADMP Brc1cccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000368843140 429898038 /nfs/dbraw/zinc/89/80/38/429898038.db2.gz CIRLKDNVKCXOJI-CYBMUJFWSA-N 2 1 306.207 2.750 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528590697 429901241 /nfs/dbraw/zinc/90/12/41/429901241.db2.gz AEIFHBYUGKOUIF-OAHLLOKOSA-N 2 1 302.466 2.617 20 0 DFADMP CC(C)[C@H]1CN(Cc2cn(C)cn2)CC[N@H+]1Cc1ccccc1 ZINC000528642643 429904001 /nfs/dbraw/zinc/90/40/01/429904001.db2.gz XIJSLLHRSOFGKN-LJQANCHMSA-N 2 1 312.461 2.763 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000369350809 429928925 /nfs/dbraw/zinc/92/89/25/429928925.db2.gz XADOPOBNPCEMME-ZDUSSCGKSA-N 2 1 305.809 2.897 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000369055406 429909227 /nfs/dbraw/zinc/90/92/27/429909227.db2.gz OIBLGLINXDEHCJ-CVEARBPZSA-N 2 1 320.481 2.756 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000369142733 429915422 /nfs/dbraw/zinc/91/54/22/429915422.db2.gz JTSXFOSFBHPODP-BZUAXINKSA-N 2 1 302.466 2.520 20 0 DFADMP c1cc(CCCN2CCC[N@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000369154828 429916416 /nfs/dbraw/zinc/91/64/16/429916416.db2.gz WDUFKLCHMWRZDW-SFHVURJKSA-N 2 1 300.446 2.724 20 0 DFADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000369350033 429927533 /nfs/dbraw/zinc/92/75/33/429927533.db2.gz QDMLHZSSMYWYRJ-CYBMUJFWSA-N 2 1 304.463 2.890 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000639755396 429971141 /nfs/dbraw/zinc/97/11/41/429971141.db2.gz JUWHEHXJSGOKTP-KRWDZBQOSA-N 2 1 322.880 2.661 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1C ZINC000639758276 429972910 /nfs/dbraw/zinc/97/29/10/429972910.db2.gz SJKZKJWHGVBXRS-UHFFFAOYSA-N 2 1 303.450 2.625 20 0 DFADMP C[NH+]1CCC2(CC[N@H+](Cc3nc(C4CCCC4)no3)C2)CC1 ZINC000639758522 429972967 /nfs/dbraw/zinc/97/29/67/429972967.db2.gz WBPSPIZQSDAGKG-UHFFFAOYSA-N 2 1 304.438 2.645 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(C4CCCC4)no3)C2)CC1 ZINC000639758522 429972971 /nfs/dbraw/zinc/97/29/71/429972971.db2.gz WBPSPIZQSDAGKG-UHFFFAOYSA-N 2 1 304.438 2.645 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(-c4ccsc4)no3)C2)CC1 ZINC000639765076 429973100 /nfs/dbraw/zinc/97/31/00/429973100.db2.gz ZDSSSYDLCRQAQD-UHFFFAOYSA-N 2 1 318.446 2.716 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CC2([NH3+])CCCCC2)c2ccccc2C1 ZINC000573711428 429974642 /nfs/dbraw/zinc/97/46/42/429974642.db2.gz SJMDIBJZHZCJGC-GOSISDBHSA-N 2 1 315.461 2.731 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000631258873 429981509 /nfs/dbraw/zinc/98/15/09/429981509.db2.gz DIHJJAYGNWGICZ-UFYCRDLUSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258873 429981513 /nfs/dbraw/zinc/98/15/13/429981513.db2.gz DIHJJAYGNWGICZ-UFYCRDLUSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258873 429981515 /nfs/dbraw/zinc/98/15/15/429981515.db2.gz DIHJJAYGNWGICZ-UFYCRDLUSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258873 429981520 /nfs/dbraw/zinc/98/15/20/429981520.db2.gz DIHJJAYGNWGICZ-UFYCRDLUSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258873 429981525 /nfs/dbraw/zinc/98/15/25/429981525.db2.gz DIHJJAYGNWGICZ-UFYCRDLUSA-N 2 1 313.489 2.786 20 0 DFADMP C[C@H]1C[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CCC1(F)F ZINC000639646889 429930805 /nfs/dbraw/zinc/93/08/05/429930805.db2.gz VIBUXIXXOMFEFG-RDJZCZTQSA-N 2 1 324.415 2.601 20 0 DFADMP C[C@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639646889 429930809 /nfs/dbraw/zinc/93/08/09/429930809.db2.gz VIBUXIXXOMFEFG-RDJZCZTQSA-N 2 1 324.415 2.601 20 0 DFADMP C[C@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639646889 429930813 /nfs/dbraw/zinc/93/08/13/429930813.db2.gz VIBUXIXXOMFEFG-RDJZCZTQSA-N 2 1 324.415 2.601 20 0 DFADMP c1ccc2oc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000639681733 429943230 /nfs/dbraw/zinc/94/32/30/429943230.db2.gz DERKONNTIFLREX-UHFFFAOYSA-N 2 1 308.385 2.935 20 0 DFADMP c1ccc2oc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)nc2c1 ZINC000639681733 429943234 /nfs/dbraw/zinc/94/32/34/429943234.db2.gz DERKONNTIFLREX-UHFFFAOYSA-N 2 1 308.385 2.935 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000529621907 430042434 /nfs/dbraw/zinc/04/24/34/430042434.db2.gz OJORVYURWAGQLK-KRWDZBQOSA-N 2 1 301.434 2.711 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000529621907 430042440 /nfs/dbraw/zinc/04/24/40/430042440.db2.gz OJORVYURWAGQLK-KRWDZBQOSA-N 2 1 301.434 2.711 20 0 DFADMP CSC[C@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000574444303 430042631 /nfs/dbraw/zinc/04/26/31/430042631.db2.gz XDWJKTMMIKGKOW-MAUKXSAKSA-N 2 1 322.518 2.875 20 0 DFADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000639983886 430044880 /nfs/dbraw/zinc/04/48/80/430044880.db2.gz NMJYXWKCBLPTEA-IBGZPJMESA-N 2 1 316.489 2.930 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@H](n2ccnn2)CC1 ZINC000639815870 429990346 /nfs/dbraw/zinc/99/03/46/429990346.db2.gz AOXMCXIUYFZKJY-DLBZAZTESA-N 2 1 305.470 2.568 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@H](n2ccnn2)CC1 ZINC000639815870 429990351 /nfs/dbraw/zinc/99/03/51/429990351.db2.gz AOXMCXIUYFZKJY-DLBZAZTESA-N 2 1 305.470 2.568 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)n1 ZINC000639868528 430005267 /nfs/dbraw/zinc/00/52/67/430005267.db2.gz VFASQXJKBAVGFQ-KRWDZBQOSA-N 2 1 305.466 2.549 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)n1 ZINC000639868528 430005270 /nfs/dbraw/zinc/00/52/70/430005270.db2.gz VFASQXJKBAVGFQ-KRWDZBQOSA-N 2 1 305.466 2.549 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723659 430089584 /nfs/dbraw/zinc/08/95/84/430089584.db2.gz AGUSFAQSFRDAKK-QXCFHYIPSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)[C@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1(F)F ZINC000634722833 430090440 /nfs/dbraw/zinc/09/04/40/430090440.db2.gz VQZKKNRPGBTTMC-DOTOQJQBSA-N 2 1 324.415 2.504 20 0 DFADMP CC1(C)[C@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1(F)F ZINC000634722833 430090446 /nfs/dbraw/zinc/09/04/46/430090446.db2.gz VQZKKNRPGBTTMC-DOTOQJQBSA-N 2 1 324.415 2.504 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179713 430101394 /nfs/dbraw/zinc/10/13/94/430101394.db2.gz VLNJZUHBDGQIES-IAGOWNOFSA-N 2 1 306.425 2.648 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000530226143 430105983 /nfs/dbraw/zinc/10/59/83/430105983.db2.gz PXORYXYERMCMPF-YQYZPQCESA-N 2 1 308.441 2.688 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530225400 430106054 /nfs/dbraw/zinc/10/60/54/430106054.db2.gz ZGGXCYUGHSOEDQ-LDYMZIIASA-N 2 1 319.193 2.944 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)N(C)c1ccccc1 ZINC000560513867 430052214 /nfs/dbraw/zinc/05/22/14/430052214.db2.gz IWFFNPCQIIRGJN-NXWXRZEISA-N 2 1 301.478 2.974 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000640016115 430056447 /nfs/dbraw/zinc/05/64/47/430056447.db2.gz UKGYKVULJKRWTQ-QGZVFWFLSA-N 2 1 308.441 2.535 20 0 DFADMP CC1(C)C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000634678106 430073604 /nfs/dbraw/zinc/07/36/04/430073604.db2.gz ISYZYNCHBLIGGH-GOSISDBHSA-N 2 1 318.461 2.566 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@H]2CCOC(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000634685989 430077179 /nfs/dbraw/zinc/07/71/79/430077179.db2.gz ZFRRAIRQHRRCFM-SQNIBIBYSA-N 2 1 302.462 2.879 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712364 430086475 /nfs/dbraw/zinc/08/64/75/430086475.db2.gz DRBXLUMTVMLBFA-PWRODBHTSA-N 2 1 322.452 2.769 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712364 430086479 /nfs/dbraw/zinc/08/64/79/430086479.db2.gz DRBXLUMTVMLBFA-PWRODBHTSA-N 2 1 322.452 2.769 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708789 430086725 /nfs/dbraw/zinc/08/67/25/430086725.db2.gz ZFTKYANTQUIKDD-IRXDYDNUSA-N 2 1 324.415 2.791 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708789 430086729 /nfs/dbraw/zinc/08/67/29/430086729.db2.gz ZFTKYANTQUIKDD-IRXDYDNUSA-N 2 1 324.415 2.791 20 0 DFADMP CC[NH+]1CCC(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000562658092 430161093 /nfs/dbraw/zinc/16/10/93/430161093.db2.gz SYUAYARWVYWDDN-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000637930973 430175731 /nfs/dbraw/zinc/17/57/31/430175731.db2.gz WTFSCPOLFIPSFR-ROUUACIJSA-N 2 1 301.478 2.787 20 0 DFADMP C[NH+](C[C@@H]1CCN(c2ccccc2)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930973 430175734 /nfs/dbraw/zinc/17/57/34/430175734.db2.gz WTFSCPOLFIPSFR-ROUUACIJSA-N 2 1 301.478 2.787 20 0 DFADMP Cc1cc2ccccc2nc1NCCC[N@H+]1CCCO[C@H](C)C1 ZINC000562412696 430130237 /nfs/dbraw/zinc/13/02/37/430130237.db2.gz GGXLVWDUXQCGFN-MRXNPFEDSA-N 2 1 313.445 3.456 20 0 DFADMP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000580550879 430133992 /nfs/dbraw/zinc/13/39/92/430133992.db2.gz BJDFAOXRPMBLAZ-DWRORGKVSA-N 2 1 303.494 2.964 20 0 DFADMP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)N(C)C ZINC000580550877 430134370 /nfs/dbraw/zinc/13/43/70/430134370.db2.gz BJDFAOXRPMBLAZ-BMFAXAFESA-N 2 1 303.494 2.964 20 0 DFADMP Cc1ccc2cc[nH+]c(NCCC[N@@H+]3CCCO[C@H](C)C3)c2c1 ZINC000580643005 430140479 /nfs/dbraw/zinc/14/04/79/430140479.db2.gz QJDANOQZODVMKV-MRXNPFEDSA-N 2 1 313.445 3.456 20 0 DFADMP Cc1ccc2cc[nH+]c(NCCC[N@H+]3CCCO[C@H](C)C3)c2c1 ZINC000580643005 430140482 /nfs/dbraw/zinc/14/04/82/430140482.db2.gz QJDANOQZODVMKV-MRXNPFEDSA-N 2 1 313.445 3.456 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000634994647 430187555 /nfs/dbraw/zinc/18/75/55/430187555.db2.gz JOQAFQNJEFXICN-IBGZPJMESA-N 2 1 308.429 2.516 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000634994647 430187558 /nfs/dbraw/zinc/18/75/58/430187558.db2.gz JOQAFQNJEFXICN-IBGZPJMESA-N 2 1 308.429 2.516 20 0 DFADMP C[C@H]1C[C@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634992469 430184970 /nfs/dbraw/zinc/18/49/70/430184970.db2.gz PYXOYYZBLLAXJN-OXHPOLQJSA-N 2 1 313.489 2.723 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1 ZINC000128591672 277051586 /nfs/dbraw/zinc/05/15/86/277051586.db2.gz JBIBMBBEMSGSJJ-GOSISDBHSA-N 2 1 321.896 2.945 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2cccc(F)c2)CCOCC1 ZINC000293157639 277061735 /nfs/dbraw/zinc/06/17/35/277061735.db2.gz VJINDEUTZZYNNM-GOSISDBHSA-N 2 1 320.452 2.991 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252643 277069858 /nfs/dbraw/zinc/06/98/58/277069858.db2.gz FWYBISBXNWNNKW-AABGKKOBSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]2CN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252643 277069859 /nfs/dbraw/zinc/06/98/59/277069859.db2.gz FWYBISBXNWNNKW-AABGKKOBSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]2CN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252643 277069862 /nfs/dbraw/zinc/06/98/62/277069862.db2.gz FWYBISBXNWNNKW-AABGKKOBSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000634998018 430188489 /nfs/dbraw/zinc/18/84/89/430188489.db2.gz YSKBVJTUFNKSSH-CORIIIEPSA-N 2 1 316.367 2.717 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000634999058 430189232 /nfs/dbraw/zinc/18/92/32/430189232.db2.gz PGKGGIGBCUEFJI-QAPCUYQASA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000634998767 430189491 /nfs/dbraw/zinc/18/94/91/430189491.db2.gz KPMPGXSBLMEVQA-NVXWUHKLSA-N 2 1 310.445 2.876 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998864 430189968 /nfs/dbraw/zinc/18/99/68/430189968.db2.gz LZEDMZNDDZDQQX-SCZZXKLOSA-N 2 1 303.269 2.846 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998864 430189971 /nfs/dbraw/zinc/18/99/71/430189971.db2.gz LZEDMZNDDZDQQX-SCZZXKLOSA-N 2 1 303.269 2.846 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000635000536 430190682 /nfs/dbraw/zinc/19/06/82/430190682.db2.gz QBWPDVJZFUYAKP-YPMHNXCESA-N 2 1 314.376 2.713 20 0 DFADMP C[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1c[nH+]ccc1N ZINC000635002995 430191039 /nfs/dbraw/zinc/19/10/39/430191039.db2.gz DEMCJLXYHVSTGW-XYJFISCASA-N 2 1 324.472 2.913 20 0 DFADMP CCCCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000635000789 430191282 /nfs/dbraw/zinc/19/12/82/430191282.db2.gz VRSOXILZGZXRCV-GDBMZVCRSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000640530748 430192045 /nfs/dbraw/zinc/19/20/45/430192045.db2.gz CDQBETIOMJUFDP-HDICACEKSA-N 2 1 323.525 2.689 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)Cc1ccc(F)cc1 ZINC000640534898 430193085 /nfs/dbraw/zinc/19/30/85/430193085.db2.gz XECTWTSFBVDUBB-LJQANCHMSA-N 2 1 322.468 2.927 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635004505 430193237 /nfs/dbraw/zinc/19/32/37/430193237.db2.gz FFCVXDRXSFIGSB-QRQLOZEOSA-N 3 1 303.494 2.847 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1CCN(C(C)(C)C)C1=O ZINC000640534069 430193407 /nfs/dbraw/zinc/19/34/07/430193407.db2.gz KLOVYHUHTOGVQI-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP CCc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000542019065 430200614 /nfs/dbraw/zinc/20/06/14/430200614.db2.gz FFDBYDDLUFSIRI-ZFWWWQNUSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1cc(N[C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019065 430200616 /nfs/dbraw/zinc/20/06/16/430200616.db2.gz FFDBYDDLUFSIRI-ZFWWWQNUSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1cc(N[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019065 430200620 /nfs/dbraw/zinc/20/06/20/430200620.db2.gz FFDBYDDLUFSIRI-ZFWWWQNUSA-N 2 1 302.466 3.412 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)c2nc(C)nc3c2CCCC3)[C@H](C)C1 ZINC000542020209 430200933 /nfs/dbraw/zinc/20/09/33/430200933.db2.gz UJWJUIHSWIMMQT-CXAGYDPISA-N 2 1 302.466 2.830 20 0 DFADMP c1ccc(C[C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000581315840 430197582 /nfs/dbraw/zinc/19/75/82/430197582.db2.gz VICPDNJTAMLNAE-NRFANRHFSA-N 2 1 322.452 2.776 20 0 DFADMP c1ccc(C[C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000581315840 430197584 /nfs/dbraw/zinc/19/75/84/430197584.db2.gz VICPDNJTAMLNAE-NRFANRHFSA-N 2 1 322.452 2.776 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H]1C ZINC000354571130 277326185 /nfs/dbraw/zinc/32/61/85/277326185.db2.gz LKHLSAAWQKCDCV-OWSLCNJRSA-N 2 1 324.509 2.922 20 0 DFADMP CC[C@](C)(C[N@H+]1CCCN(Cc2nccn2C(C)C)CC1)OC ZINC000638047131 430219125 /nfs/dbraw/zinc/21/91/25/430219125.db2.gz ZBPIPLTWNUOBCB-GOSISDBHSA-N 2 1 322.497 2.787 20 0 DFADMP CCC[NH+]1CCC(NC(=O)Nc2cc(C)c3[nH+]ccn3c2)CC1 ZINC000565641202 430221211 /nfs/dbraw/zinc/22/12/11/430221211.db2.gz IMRXLPWLXAIHMT-UHFFFAOYSA-N 2 1 315.421 2.639 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000638064390 430223827 /nfs/dbraw/zinc/22/38/27/430223827.db2.gz SYRZBCWDJNEKQI-HOTGVXAUSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)C[N@H+]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC000369926886 277389645 /nfs/dbraw/zinc/38/96/45/277389645.db2.gz LZBBBIORSXUDFW-UHFFFAOYSA-N 2 1 317.477 2.552 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccn(C(F)F)c1=O ZINC000638116850 430242236 /nfs/dbraw/zinc/24/22/36/430242236.db2.gz HGRSGLHPQOWTSX-CQSZACIVSA-N 2 1 313.392 2.550 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccn(C(F)F)c1=O ZINC000638116850 430242240 /nfs/dbraw/zinc/24/22/40/430242240.db2.gz HGRSGLHPQOWTSX-CQSZACIVSA-N 2 1 313.392 2.550 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccn(C(F)F)c1=O ZINC000638116850 430242244 /nfs/dbraw/zinc/24/22/44/430242244.db2.gz HGRSGLHPQOWTSX-CQSZACIVSA-N 2 1 313.392 2.550 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccn(C(F)F)c1=O ZINC000638116850 430242248 /nfs/dbraw/zinc/24/22/48/430242248.db2.gz HGRSGLHPQOWTSX-CQSZACIVSA-N 2 1 313.392 2.550 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566163408 430246425 /nfs/dbraw/zinc/24/64/25/430246425.db2.gz ZCLPXGYOKQBCDC-NUJGCVRESA-N 2 1 317.477 2.703 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000638134683 430249035 /nfs/dbraw/zinc/24/90/35/430249035.db2.gz QADOUQLFTSFCHA-INIZCTEOSA-N 2 1 300.512 2.562 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC000635324254 430254349 /nfs/dbraw/zinc/25/43/49/430254349.db2.gz GFBIGZRZHPIVAW-INIZCTEOSA-N 2 1 311.514 2.593 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635324254 430254352 /nfs/dbraw/zinc/25/43/52/430254352.db2.gz GFBIGZRZHPIVAW-INIZCTEOSA-N 2 1 311.514 2.593 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635324254 430254357 /nfs/dbraw/zinc/25/43/57/430254357.db2.gz GFBIGZRZHPIVAW-INIZCTEOSA-N 2 1 311.514 2.593 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000543603564 430255597 /nfs/dbraw/zinc/25/55/97/430255597.db2.gz WPUWEMZJXSUJFL-QGZVFWFLSA-N 2 1 316.449 2.601 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635325071 430255852 /nfs/dbraw/zinc/25/58/52/430255852.db2.gz LQGGBTXLSZXWTG-KRWDZBQOSA-N 2 1 321.509 2.633 20 0 DFADMP CC(C)[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000582013729 430259708 /nfs/dbraw/zinc/25/97/08/430259708.db2.gz VFWUMNBSSJQNHG-GOSISDBHSA-N 2 1 304.478 2.863 20 0 DFADMP CC(C)[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000582013730 430260165 /nfs/dbraw/zinc/26/01/65/430260165.db2.gz VFWUMNBSSJQNHG-SFHVURJKSA-N 2 1 304.478 2.863 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635399008 430266918 /nfs/dbraw/zinc/26/69/18/430266918.db2.gz DBFWSRHOZMBJFU-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000582130215 430270848 /nfs/dbraw/zinc/27/08/48/430270848.db2.gz VKTHDRPLUDUQHQ-IRXDYDNUSA-N 2 1 321.371 2.751 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnc(-c2ccccn2)s1 ZINC000582268869 430283137 /nfs/dbraw/zinc/28/31/37/430283137.db2.gz GXCNTZVIHADVNJ-CJNGLKHVSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000582268869 430283143 /nfs/dbraw/zinc/28/31/43/430283143.db2.gz GXCNTZVIHADVNJ-CJNGLKHVSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000582268869 430283146 /nfs/dbraw/zinc/28/31/46/430283146.db2.gz GXCNTZVIHADVNJ-CJNGLKHVSA-N 2 1 316.474 2.977 20 0 DFADMP CC[N@H+](CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000581616623 430225344 /nfs/dbraw/zinc/22/53/44/430225344.db2.gz SNDWIXVFRAQNGB-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP CC[N@@H+](CCNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000581616623 430225348 /nfs/dbraw/zinc/22/53/48/430225348.db2.gz SNDWIXVFRAQNGB-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000638083896 430230747 /nfs/dbraw/zinc/23/07/47/430230747.db2.gz OWMQUSLYEAEOGA-NXHRZFHOSA-N 2 1 317.477 2.702 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000638083898 430231015 /nfs/dbraw/zinc/23/10/15/430231015.db2.gz OWMQUSLYEAEOGA-SZMVWBNQSA-N 2 1 317.477 2.702 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000566109301 430240406 /nfs/dbraw/zinc/24/04/06/430240406.db2.gz OMWFOTFUBJWZED-HNNXBMFYSA-N 2 1 321.440 2.864 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000566109302 430240622 /nfs/dbraw/zinc/24/06/22/430240622.db2.gz OMWFOTFUBJWZED-OAHLLOKOSA-N 2 1 321.440 2.864 20 0 DFADMP CC(C)[NH+](CCCNc1cc[nH+]c(N2CCCCC2)n1)C(C)C ZINC000544702343 430291651 /nfs/dbraw/zinc/29/16/51/430291651.db2.gz QIUXLSLBZSXQLC-UHFFFAOYSA-N 2 1 319.497 3.388 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638282655 430293611 /nfs/dbraw/zinc/29/36/11/430293611.db2.gz SVVIMKQFBZXKMX-AWEZNQCLSA-N 2 1 306.450 2.581 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC000582369544 430294049 /nfs/dbraw/zinc/29/40/49/430294049.db2.gz OQKIQPDVJOGDAF-HZPDHXFCSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000638299933 430298052 /nfs/dbraw/zinc/29/80/52/430298052.db2.gz FOPZCCVVSPPGJR-HZPDHXFCSA-N 2 1 309.498 2.678 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000638304268 430298233 /nfs/dbraw/zinc/29/82/33/430298233.db2.gz ZHHGNMFPPLMPHB-YOEHRIQHSA-N 2 1 306.475 2.502 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638302678 430299051 /nfs/dbraw/zinc/29/90/51/430299051.db2.gz KWOYSOWWCRLULH-BRSBDYLESA-N 2 1 310.482 2.567 20 0 DFADMP CO[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC(C)C ZINC000638305190 430299650 /nfs/dbraw/zinc/29/96/50/430299650.db2.gz RGHZBRAAKSAECS-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP COc1cc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(Cl)cc1O ZINC000638335848 430308778 /nfs/dbraw/zinc/30/87/78/430308778.db2.gz WOOZGHOVUKKCHL-NSHDSACASA-N 2 1 323.824 2.985 20 0 DFADMP CO[C@@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)Cc1ccccc1 ZINC000638335888 430309060 /nfs/dbraw/zinc/30/90/60/430309060.db2.gz XMCZLUJPFBQEKS-CRAIPNDOSA-N 2 1 301.434 2.675 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000641036907 430310891 /nfs/dbraw/zinc/31/08/91/430310891.db2.gz NQPXKYHHGGROFP-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000638373256 430320319 /nfs/dbraw/zinc/32/03/19/430320319.db2.gz AFCZWJLKYMVGST-HYVNUMGLSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000638373258 430320605 /nfs/dbraw/zinc/32/06/05/430320605.db2.gz AFCZWJLKYMVGST-PVAVHDDUSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638371953 430320967 /nfs/dbraw/zinc/32/09/67/430320967.db2.gz UXVUPDHHTINONZ-WOSRLPQWSA-N 2 1 323.868 2.546 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638371953 430320972 /nfs/dbraw/zinc/32/09/72/430320972.db2.gz UXVUPDHHTINONZ-WOSRLPQWSA-N 2 1 323.868 2.546 20 0 DFADMP COc1ccccc1C[C@@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000568165797 430322558 /nfs/dbraw/zinc/32/25/58/430322558.db2.gz XSUPAAHLAYCMDU-OAHLLOKOSA-N 2 1 301.434 2.924 20 0 DFADMP COc1ccccc1C[C@@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000568165797 430322564 /nfs/dbraw/zinc/32/25/64/430322564.db2.gz XSUPAAHLAYCMDU-OAHLLOKOSA-N 2 1 301.434 2.924 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000638380852 430323205 /nfs/dbraw/zinc/32/32/05/430323205.db2.gz ZUZNGPSTKFTRBE-IBGZPJMESA-N 2 1 302.462 2.974 20 0 DFADMP CCCc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000545867503 430329458 /nfs/dbraw/zinc/32/94/58/430329458.db2.gz WHAUXYFTSKYCCA-RTBURBONSA-N 2 1 304.478 2.992 20 0 DFADMP CCCc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000545867503 430329463 /nfs/dbraw/zinc/32/94/63/430329463.db2.gz WHAUXYFTSKYCCA-RTBURBONSA-N 2 1 304.478 2.992 20 0 DFADMP CC(C)(C)O[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCC2 ZINC000638410802 430332939 /nfs/dbraw/zinc/33/29/39/430332939.db2.gz COAQWMUESLEYCW-IRXDYDNUSA-N 2 1 324.509 2.549 20 0 DFADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635651232 430336174 /nfs/dbraw/zinc/33/61/74/430336174.db2.gz IHQLVTUVTMSNJC-SFHVURJKSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000638419845 430336614 /nfs/dbraw/zinc/33/66/14/430336614.db2.gz JXHQGMHHBOIHFG-RKVPGOIHSA-N 2 1 320.502 2.891 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000638419845 430336618 /nfs/dbraw/zinc/33/66/18/430336618.db2.gz JXHQGMHHBOIHFG-RKVPGOIHSA-N 2 1 320.502 2.891 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CCC[C@@H]2CCO2)cc1F ZINC000638419441 430336652 /nfs/dbraw/zinc/33/66/52/430336652.db2.gz HTARAPJQEWJPDQ-OAHLLOKOSA-N 2 1 303.381 2.979 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[N@H+]3CCC(C)(C)C3)ccc21 ZINC000568230279 430337506 /nfs/dbraw/zinc/33/75/06/430337506.db2.gz VQUQRPVSWJSAGQ-KRWDZBQOSA-N 2 1 315.461 2.906 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH+](C)C)c1 ZINC000635666201 430340491 /nfs/dbraw/zinc/34/04/91/430340491.db2.gz SELZXVSVGBEREO-MRXNPFEDSA-N 2 1 319.493 2.875 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000568275067 430342575 /nfs/dbraw/zinc/34/25/75/430342575.db2.gz QRLOKGSBZVYCIA-NUJGCVRESA-N 2 1 323.525 2.863 20 0 DFADMP CN(CCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccccc1 ZINC000582902199 430345985 /nfs/dbraw/zinc/34/59/85/430345985.db2.gz BOZYXFAILUTHRY-GOSISDBHSA-N 2 1 301.478 2.931 20 0 DFADMP COc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccn1 ZINC000638701669 430414370 /nfs/dbraw/zinc/41/43/70/430414370.db2.gz SQFPTJTVSNAIBZ-HZTRTUMWSA-N 2 1 303.450 2.626 20 0 DFADMP COc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000638701669 430414372 /nfs/dbraw/zinc/41/43/72/430414372.db2.gz SQFPTJTVSNAIBZ-HZTRTUMWSA-N 2 1 303.450 2.626 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635713245 430356401 /nfs/dbraw/zinc/35/64/01/430356401.db2.gz ZVSTYEGVMZTUPV-KRWDZBQOSA-N 2 1 315.461 2.871 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CC[NH+](C)C3)c2C1 ZINC000635717300 430357009 /nfs/dbraw/zinc/35/70/09/430357009.db2.gz NCRFEPITBVFETD-HNNXBMFYSA-N 2 1 315.461 2.939 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638722453 430416998 /nfs/dbraw/zinc/41/69/98/430416998.db2.gz QXJSOWDSRDOCLS-SJLPKXTDSA-N 2 1 300.446 2.717 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638722453 430417002 /nfs/dbraw/zinc/41/70/02/430417002.db2.gz QXJSOWDSRDOCLS-SJLPKXTDSA-N 2 1 300.446 2.717 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000638495023 430359353 /nfs/dbraw/zinc/35/93/53/430359353.db2.gz DAIFBRTYKCUWPP-RRFJBIMHSA-N 2 1 303.450 2.914 20 0 DFADMP CO[C@@](C)(C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521278 430366040 /nfs/dbraw/zinc/36/60/40/430366040.db2.gz FBPUQDMFUZGSMM-ICSRJNTNSA-N 2 1 316.489 2.956 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCC[C@@H]3CCO3)CC2)oc1C ZINC000638523114 430366752 /nfs/dbraw/zinc/36/67/52/430366752.db2.gz CFQUNCUXTYSASR-QGZVFWFLSA-N 2 1 321.465 2.662 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CS[C@@H](C)C3)CC2)oc1C ZINC000638524291 430366790 /nfs/dbraw/zinc/36/67/90/430366790.db2.gz OKNQSDWTIXOZOG-LRDDRELGSA-N 2 1 323.506 2.987 20 0 DFADMP CO[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521655 430367798 /nfs/dbraw/zinc/36/77/98/430367798.db2.gz NPEYHMQIANXLJW-MJGOQNOKSA-N 2 1 302.462 2.566 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2N)[C@@H](C)C1 ZINC000638595371 430382745 /nfs/dbraw/zinc/38/27/45/430382745.db2.gz RNXGMKTUHINHGQ-YOEHRIQHSA-N 2 1 323.456 2.635 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2N)[C@@H](C)C1 ZINC000638595371 430382748 /nfs/dbraw/zinc/38/27/48/430382748.db2.gz RNXGMKTUHINHGQ-YOEHRIQHSA-N 2 1 323.456 2.635 20 0 DFADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000547281423 430383549 /nfs/dbraw/zinc/38/35/49/430383549.db2.gz AEIFUEDOCULHLC-QZTJIDSGSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000547281423 430383554 /nfs/dbraw/zinc/38/35/54/430383554.db2.gz AEIFUEDOCULHLC-QZTJIDSGSA-N 2 1 324.896 2.953 20 0 DFADMP CO[C@@]1(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCOC1 ZINC000638613626 430389470 /nfs/dbraw/zinc/38/94/70/430389470.db2.gz ZDPMMRSZPVKJIN-QFBILLFUSA-N 2 1 318.461 2.607 20 0 DFADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635834448 430390297 /nfs/dbraw/zinc/39/02/97/430390297.db2.gz FGCGISWFTUQBRG-GOSISDBHSA-N 2 1 315.461 2.746 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000635850050 430393463 /nfs/dbraw/zinc/39/34/63/430393463.db2.gz TWFSOVZDZNAGDC-MRXNPFEDSA-N 2 1 303.450 2.809 20 0 DFADMP OC1CC(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000568835529 430395850 /nfs/dbraw/zinc/39/58/50/430395850.db2.gz ZGMLOGXZYGCEEC-NNUJQTDSSA-N 2 1 314.473 2.933 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000583518662 430402622 /nfs/dbraw/zinc/40/26/22/430402622.db2.gz GWNGPXVTFYZMPM-SJORKVTESA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000583518662 430402627 /nfs/dbraw/zinc/40/26/27/430402627.db2.gz GWNGPXVTFYZMPM-SJORKVTESA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000583518662 430402632 /nfs/dbraw/zinc/40/26/32/430402632.db2.gz GWNGPXVTFYZMPM-SJORKVTESA-N 2 1 309.498 2.584 20 0 DFADMP COc1cccc(C)c1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000638667834 430405548 /nfs/dbraw/zinc/40/55/48/430405548.db2.gz DVUSICQXMMEWJX-MRXNPFEDSA-N 2 1 318.461 2.594 20 0 DFADMP COc1cc(C[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)ccn1 ZINC000638674178 430406997 /nfs/dbraw/zinc/40/69/97/430406997.db2.gz GFMRBMNXGDEQGY-CQSZACIVSA-N 2 1 302.422 2.596 20 0 DFADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557710 430407010 /nfs/dbraw/zinc/40/70/10/430407010.db2.gz XFCYRFAJEHMFRH-FUHWJXTLSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000583937177 430442145 /nfs/dbraw/zinc/44/21/45/430442145.db2.gz CENJTQFNFHLCCM-LPHOPBHVSA-N 2 1 321.509 2.632 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000569360883 430448669 /nfs/dbraw/zinc/44/86/69/430448669.db2.gz YROWNSLJVVMWJN-MSOLQXFVSA-N 2 1 317.477 2.628 20 0 DFADMP Nc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000641713167 430450324 /nfs/dbraw/zinc/45/03/24/430450324.db2.gz QBXKZNQFMVAHKK-KRWDZBQOSA-N 2 1 310.445 2.666 20 0 DFADMP Nc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000641713167 430450329 /nfs/dbraw/zinc/45/03/29/430450329.db2.gz QBXKZNQFMVAHKK-KRWDZBQOSA-N 2 1 310.445 2.666 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)CC1 ZINC000638837915 430450580 /nfs/dbraw/zinc/45/05/80/430450580.db2.gz AADUIVVYDDVNPD-UHFFFAOYSA-N 2 1 303.356 2.865 20 0 DFADMP Cc1nnsc1C[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000638849938 430454865 /nfs/dbraw/zinc/45/48/65/430454865.db2.gz DRUACOZLVMBHOT-UHFFFAOYSA-N 2 1 302.447 2.732 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccncc2N)CC[N@@H+]1Cc1ccccc1 ZINC000641734091 430455909 /nfs/dbraw/zinc/45/59/09/430455909.db2.gz ZNRFEUMMJYHYGS-MAUKXSAKSA-N 2 1 310.445 2.807 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccncc2N)CC[N@H+]1Cc1ccccc1 ZINC000641734091 430455912 /nfs/dbraw/zinc/45/59/12/430455912.db2.gz ZNRFEUMMJYHYGS-MAUKXSAKSA-N 2 1 310.445 2.807 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641741259 430456582 /nfs/dbraw/zinc/45/65/82/430456582.db2.gz FIZRHYGWAKZSLH-OAHLLOKOSA-N 2 1 316.449 2.726 20 0 DFADMP Nc1cnccc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000641746656 430458413 /nfs/dbraw/zinc/45/84/13/430458413.db2.gz BSHATQFEQAVCMJ-QWFCFKBJSA-N 2 1 322.456 2.664 20 0 DFADMP CC[C@@H](C)[C@@H](C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)OC ZINC000638874925 430464111 /nfs/dbraw/zinc/46/41/11/430464111.db2.gz ZEABKVFGVOYIDG-CXAGYDPISA-N 2 1 320.481 2.713 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(C(F)F)cc1 ZINC000641769995 430466537 /nfs/dbraw/zinc/46/65/37/430466537.db2.gz HHHPNUCRGNWHSV-HNNXBMFYSA-N 2 1 300.393 2.807 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000548389172 430468342 /nfs/dbraw/zinc/46/83/42/430468342.db2.gz BYNNPKWZUSCJAS-AEFFLSMTSA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC000548389172 430468349 /nfs/dbraw/zinc/46/83/49/430468349.db2.gz BYNNPKWZUSCJAS-AEFFLSMTSA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC000548389172 430468353 /nfs/dbraw/zinc/46/83/53/430468353.db2.gz BYNNPKWZUSCJAS-AEFFLSMTSA-N 2 1 323.525 2.972 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1)C(C)C ZINC000638894155 430469621 /nfs/dbraw/zinc/46/96/21/430469621.db2.gz PNYBJDMQBLWCFR-CRAIPNDOSA-N 2 1 317.477 2.584 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000641806497 430477586 /nfs/dbraw/zinc/47/75/86/430477586.db2.gz PTMACEXRLMEUGR-IAGOWNOFSA-N 2 1 315.461 2.528 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803698 430477624 /nfs/dbraw/zinc/47/76/24/430477624.db2.gz DRHZXKUJVWUECW-CABCVRRESA-N 2 1 303.450 2.772 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803701 430478293 /nfs/dbraw/zinc/47/82/93/430478293.db2.gz DRHZXKUJVWUECW-LSDHHAIUSA-N 2 1 303.450 2.772 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N1CCC[C@H]1c1cccs1 ZINC000641805722 430478895 /nfs/dbraw/zinc/47/88/95/430478895.db2.gz OFNUQBSEHOSCIC-DDHJSBNISA-N 2 1 321.490 2.516 20 0 DFADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000641806946 430478903 /nfs/dbraw/zinc/47/89/03/430478903.db2.gz SRDPEKPALPJIHS-RYUDHWBXSA-N 2 1 316.232 2.647 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000641821563 430482689 /nfs/dbraw/zinc/48/26/89/430482689.db2.gz LOXSYYXQUPEYRU-XHSDSOJGSA-N 2 1 321.465 2.796 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000641818038 430482796 /nfs/dbraw/zinc/48/27/96/430482796.db2.gz CCJLVBFFHAERKX-XDNAFOTISA-N 2 1 322.493 2.839 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)(C)n1cncn1 ZINC000638969771 430483571 /nfs/dbraw/zinc/48/35/71/430483571.db2.gz IOQLTGDTESUQMR-ARFHVFGLSA-N 2 1 319.497 2.644 20 0 DFADMP C[NH+](C)CCC1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548715285 430494357 /nfs/dbraw/zinc/49/43/57/430494357.db2.gz ALBIOQUCUUOPJH-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)[C@@H](C)C1 ZINC000548716790 430495178 /nfs/dbraw/zinc/49/51/78/430495178.db2.gz GDESCYNXCJDBMO-FUHWJXTLSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000548716790 430495181 /nfs/dbraw/zinc/49/51/81/430495181.db2.gz GDESCYNXCJDBMO-FUHWJXTLSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)[C@@H](C)C1 ZINC000548716790 430495185 /nfs/dbraw/zinc/49/51/85/430495185.db2.gz GDESCYNXCJDBMO-FUHWJXTLSA-N 2 1 323.525 2.830 20 0 DFADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000569909084 430496308 /nfs/dbraw/zinc/49/63/08/430496308.db2.gz LBBXNURFDIONOW-HOCLYGCPSA-N 2 1 305.470 2.590 20 0 DFADMP Cc1c(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)cnn1C ZINC000569993667 430504125 /nfs/dbraw/zinc/50/41/25/430504125.db2.gz OOWIPPPDWNFONH-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP Cc1c(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)cnn1C ZINC000569993667 430504131 /nfs/dbraw/zinc/50/41/31/430504131.db2.gz OOWIPPPDWNFONH-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2)CC1 ZINC000639057342 430504996 /nfs/dbraw/zinc/50/49/96/430504996.db2.gz MUJISZUWOINFBB-FUHWJXTLSA-N 2 1 316.493 2.723 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000548918373 430511058 /nfs/dbraw/zinc/51/10/58/430511058.db2.gz PRKPXAROWRTJRG-ROUUACIJSA-N 2 1 324.509 2.911 20 0 DFADMP CO[C@@H](C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)CC(C)C ZINC000642685556 430525585 /nfs/dbraw/zinc/52/55/85/430525585.db2.gz LFNASNJSHATCOY-DLBZAZTESA-N 2 1 320.481 2.713 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000599314578 430529898 /nfs/dbraw/zinc/52/98/98/430529898.db2.gz IADCBGUCSVKTOB-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000599314578 430529903 /nfs/dbraw/zinc/52/99/03/430529903.db2.gz IADCBGUCSVKTOB-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000599314578 430529906 /nfs/dbraw/zinc/52/99/06/430529906.db2.gz IADCBGUCSVKTOB-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000549822692 430533293 /nfs/dbraw/zinc/53/32/93/430533293.db2.gz WNGNOAIPVXJVEY-RBUKOAKNSA-N 2 1 305.510 2.977 20 0 DFADMP Cn1cncc1CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000570525484 430550525 /nfs/dbraw/zinc/55/05/25/430550525.db2.gz PFZVOWHGDCOOHY-GOSISDBHSA-N 3 1 318.509 2.941 20 0 DFADMP Cn1cncc1CCCN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000570525484 430550526 /nfs/dbraw/zinc/55/05/26/430550526.db2.gz PFZVOWHGDCOOHY-GOSISDBHSA-N 3 1 318.509 2.941 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](OC)C1CCOCC1 ZINC000639176239 430555066 /nfs/dbraw/zinc/55/50/66/430555066.db2.gz DHZQRDODXIKGST-KRWDZBQOSA-N 2 1 323.481 2.599 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](OC)C1CCOCC1 ZINC000639176239 430555068 /nfs/dbraw/zinc/55/50/68/430555068.db2.gz DHZQRDODXIKGST-KRWDZBQOSA-N 2 1 323.481 2.599 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)c1)O[C@H](C)C2 ZINC000551430648 430555912 /nfs/dbraw/zinc/55/59/12/430555912.db2.gz GJZKTLIXMOIJMN-HUUCEWRRSA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)c1)O[C@H](C)C2 ZINC000551430648 430555915 /nfs/dbraw/zinc/55/59/15/430555915.db2.gz GJZKTLIXMOIJMN-HUUCEWRRSA-N 2 1 318.461 2.839 20 0 DFADMP COc1cccc(OC)c1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639177672 430557665 /nfs/dbraw/zinc/55/76/65/430557665.db2.gz BFCALZAOSBSRCF-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cccc(OC)c1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639177672 430557668 /nfs/dbraw/zinc/55/76/68/430557668.db2.gz BFCALZAOSBSRCF-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570681948 430566323 /nfs/dbraw/zinc/56/63/23/430566323.db2.gz KPONGYJEFRVPSM-SOLBZPMBSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H](C[C@H](C)O)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570681948 430566326 /nfs/dbraw/zinc/56/63/26/430566326.db2.gz KPONGYJEFRVPSM-SOLBZPMBSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(Cc2nn(C)c(C)c2Cl)C1 ZINC000643285580 430573446 /nfs/dbraw/zinc/57/34/46/430573446.db2.gz VHZYRTJEZBVJFH-CYBMUJFWSA-N 2 1 307.829 2.724 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(Cc2nn(C)c(C)c2Cl)C1 ZINC000643285581 430573503 /nfs/dbraw/zinc/57/35/03/430573503.db2.gz VHZYRTJEZBVJFH-ZDUSSCGKSA-N 2 1 307.829 2.724 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639218220 430575237 /nfs/dbraw/zinc/57/52/37/430575237.db2.gz LQMBIBHICISRAY-ULQDDVLXSA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000552062659 430583838 /nfs/dbraw/zinc/58/38/38/430583838.db2.gz CGDHHUSETGNKCB-NCXUSEDFSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552062659 430583845 /nfs/dbraw/zinc/58/38/45/430583845.db2.gz CGDHHUSETGNKCB-NCXUSEDFSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552062659 430583851 /nfs/dbraw/zinc/58/38/51/430583851.db2.gz CGDHHUSETGNKCB-NCXUSEDFSA-N 2 1 307.526 2.959 20 0 DFADMP COC[C@H](C)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000570966349 430592581 /nfs/dbraw/zinc/59/25/81/430592581.db2.gz UAEGIPMWHGXHDM-GDBMZVCRSA-N 2 1 308.491 2.975 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000552336417 430594107 /nfs/dbraw/zinc/59/41/07/430594107.db2.gz CJIPCHKADLFYCZ-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000552336417 430594109 /nfs/dbraw/zinc/59/41/09/430594109.db2.gz CJIPCHKADLFYCZ-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP Cc1cc(CNC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)sn1 ZINC000639286123 430598158 /nfs/dbraw/zinc/59/81/58/430598158.db2.gz OLCFHPQLRMALMP-WBVHZDCISA-N 2 1 301.459 2.887 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)sn1 ZINC000639286123 430598162 /nfs/dbraw/zinc/59/81/62/430598162.db2.gz OLCFHPQLRMALMP-WBVHZDCISA-N 2 1 301.459 2.887 20 0 DFADMP CC[N@@H+](CCC[NH2+]C[C@H](OC)[C@@H]1CCOC1)C1CCCCC1 ZINC000639289776 430599672 /nfs/dbraw/zinc/59/96/72/430599672.db2.gz COQLSIYFNVLFTB-AEFFLSMTSA-N 2 1 312.498 2.672 20 0 DFADMP CC[N@@H+](CCC[NH2+]CCCc1cnn(C)c1)C1CCCCC1 ZINC000639291691 430599952 /nfs/dbraw/zinc/59/99/52/430599952.db2.gz SJYXUTQBSYIKEN-UHFFFAOYSA-N 2 1 306.498 2.987 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000552554778 430600034 /nfs/dbraw/zinc/60/00/34/430600034.db2.gz VDGOHWWMKZSGFY-IXDOHACOSA-N 2 1 309.498 2.582 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC3(C)C)CC2)oc1C ZINC000550665192 430544686 /nfs/dbraw/zinc/54/46/86/430544686.db2.gz FYPREAPWIHZWSF-MRXNPFEDSA-N 2 1 321.465 2.661 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)CCCC2)CC1 ZINC000571748041 430649823 /nfs/dbraw/zinc/64/98/23/430649823.db2.gz OSRULPWSKBFKLP-FVQHAEBGSA-N 2 1 324.509 2.956 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C)n1 ZINC000639483172 430652489 /nfs/dbraw/zinc/65/24/89/430652489.db2.gz RSQJWADPJJILBY-UONOGXRCSA-N 2 1 302.340 2.894 20 0 DFADMP Cc1cc(C)c(CN2CCC[C@H]2[C@@H](O)C(F)(F)F)c(C)n1 ZINC000639483172 430652491 /nfs/dbraw/zinc/65/24/91/430652491.db2.gz RSQJWADPJJILBY-UONOGXRCSA-N 2 1 302.340 2.894 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cnccn2)C1 ZINC000639489154 430652866 /nfs/dbraw/zinc/65/28/66/430652866.db2.gz OOZSKKWZRZPZRR-DLBZAZTESA-N 2 1 302.466 2.606 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cnccn2)C1 ZINC000639489154 430652868 /nfs/dbraw/zinc/65/28/68/430652868.db2.gz OOZSKKWZRZPZRR-DLBZAZTESA-N 2 1 302.466 2.606 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000639489154 430652870 /nfs/dbraw/zinc/65/28/70/430652870.db2.gz OOZSKKWZRZPZRR-DLBZAZTESA-N 2 1 302.466 2.606 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cnccn2)C1 ZINC000639489154 430652872 /nfs/dbraw/zinc/65/28/72/430652872.db2.gz OOZSKKWZRZPZRR-DLBZAZTESA-N 2 1 302.466 2.606 20 0 DFADMP COc1cccc([C@H](CN[C@H]2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000571821144 430654838 /nfs/dbraw/zinc/65/48/38/430654838.db2.gz NIMAUVMKMUTQFX-LNLFQRSKSA-N 2 1 317.477 2.692 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@@H]21 ZINC000639518340 430660351 /nfs/dbraw/zinc/66/03/51/430660351.db2.gz FEGUCVLRAVRLLH-LPHOPBHVSA-N 2 1 300.446 2.675 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000643462836 430604318 /nfs/dbraw/zinc/60/43/18/430604318.db2.gz MKDKZQNGHFNIHZ-IMJJTQAJSA-N 2 1 309.404 2.664 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000643462834 430604513 /nfs/dbraw/zinc/60/45/13/430604513.db2.gz MKDKZQNGHFNIHZ-BMFZPTHFSA-N 2 1 309.404 2.664 20 0 DFADMP FC(F)CN1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000643460069 430604602 /nfs/dbraw/zinc/60/46/02/430604602.db2.gz SJYICAVSVLHCQY-SJORKVTESA-N 2 1 323.431 2.799 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000571129451 430605586 /nfs/dbraw/zinc/60/55/86/430605586.db2.gz QLQJBJHMMRCQRS-IYXRBSQSSA-N 2 1 310.404 2.932 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000571129451 430605591 /nfs/dbraw/zinc/60/55/91/430605591.db2.gz QLQJBJHMMRCQRS-IYXRBSQSSA-N 2 1 310.404 2.932 20 0 DFADMP OCc1ccc(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000643478193 430607554 /nfs/dbraw/zinc/60/75/54/430607554.db2.gz BJKQMBQZPQISHS-VQTJNVASSA-N 2 1 310.441 2.804 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000643488764 430609221 /nfs/dbraw/zinc/60/92/21/430609221.db2.gz WJZIMMKVZQLDCI-LESCRADOSA-N 2 1 306.450 2.751 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1cc2c(ccc3ccccc23)o1 ZINC000643531411 430613047 /nfs/dbraw/zinc/61/30/47/430613047.db2.gz NTMYNATXFFPINP-DXCKQFNASA-N 2 1 310.397 2.817 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639334164 430613269 /nfs/dbraw/zinc/61/32/69/430613269.db2.gz ADBVQFOQWZUJTD-JWBIFMHMSA-N 2 1 300.446 2.715 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639334164 430613274 /nfs/dbraw/zinc/61/32/74/430613274.db2.gz ADBVQFOQWZUJTD-JWBIFMHMSA-N 2 1 300.446 2.715 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523119 430613518 /nfs/dbraw/zinc/61/35/18/430613518.db2.gz WXFYGLRHSHZXGY-WTGUMLROSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523119 430613521 /nfs/dbraw/zinc/61/35/21/430613521.db2.gz WXFYGLRHSHZXGY-WTGUMLROSA-N 3 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523119 430613524 /nfs/dbraw/zinc/61/35/24/430613524.db2.gz WXFYGLRHSHZXGY-WTGUMLROSA-N 3 1 313.489 2.914 20 0 DFADMP Cc1nc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)s1 ZINC000643543897 430616067 /nfs/dbraw/zinc/61/60/67/430616067.db2.gz VRUGPORYTAPAHR-UWTIGNOOSA-N 2 1 322.522 2.627 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639362257 430621451 /nfs/dbraw/zinc/62/14/51/430621451.db2.gz ADBVQFOQWZUJTD-VYCZESIESA-N 2 1 300.446 2.715 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639362257 430621455 /nfs/dbraw/zinc/62/14/55/430621455.db2.gz ADBVQFOQWZUJTD-VYCZESIESA-N 2 1 300.446 2.715 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000554318047 430632738 /nfs/dbraw/zinc/63/27/38/430632738.db2.gz PGOFVSBOMXMTDP-INIZCTEOSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000554318047 430632740 /nfs/dbraw/zinc/63/27/40/430632740.db2.gz PGOFVSBOMXMTDP-INIZCTEOSA-N 2 1 311.857 2.668 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCN2CCCC2=O)C1 ZINC000554602919 430646656 /nfs/dbraw/zinc/64/66/56/430646656.db2.gz GNGFOOYRKRDISL-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCN2CCCC2=O)C1 ZINC000554602919 430646658 /nfs/dbraw/zinc/64/66/58/430646658.db2.gz GNGFOOYRKRDISL-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCN2CCCC2=O)C1 ZINC000554602919 430646659 /nfs/dbraw/zinc/64/66/59/430646659.db2.gz GNGFOOYRKRDISL-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCN2CCCC2=O)C1 ZINC000554602919 430646661 /nfs/dbraw/zinc/64/66/61/430646661.db2.gz GNGFOOYRKRDISL-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1OCC[C@H]1C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546952 430668402 /nfs/dbraw/zinc/66/84/02/430668402.db2.gz NKLZOXVAABMZAJ-SPOLIRPYSA-N 2 1 324.509 2.623 20 0 DFADMP C[C@H]1OCC[C@H]1C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546952 430668404 /nfs/dbraw/zinc/66/84/04/430668404.db2.gz NKLZOXVAABMZAJ-SPOLIRPYSA-N 2 1 324.509 2.623 20 0 DFADMP Cc1c(C[N@@H+](C)Cc2cc(-n3ccnc3)cs2)cnn1C ZINC000556106958 430679043 /nfs/dbraw/zinc/67/90/43/430679043.db2.gz MOUAIZNKPNYGFK-UHFFFAOYSA-N 2 1 301.419 2.608 20 0 DFADMP Cc1c(CN(C)Cc2cc(-n3ccnc3)cs2)cnn1C ZINC000556106958 430679045 /nfs/dbraw/zinc/67/90/45/430679045.db2.gz MOUAIZNKPNYGFK-UHFFFAOYSA-N 2 1 301.419 2.608 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094031 430679155 /nfs/dbraw/zinc/67/91/55/430679155.db2.gz OPALQFZZWXGXBS-PBHICJAKSA-N 2 1 304.434 2.856 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000572359236 430683830 /nfs/dbraw/zinc/68/38/30/430683830.db2.gz AEEIBZAFTFOGRU-ZWKOTPCHSA-N 2 1 323.525 2.863 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000571937446 430662262 /nfs/dbraw/zinc/66/22/62/430662262.db2.gz XJUVHNGGQFCNHE-IRXDYDNUSA-N 2 1 318.486 2.934 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000571937446 430662266 /nfs/dbraw/zinc/66/22/66/430662266.db2.gz XJUVHNGGQFCNHE-IRXDYDNUSA-N 2 1 318.486 2.934 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2cccc(NCc3cccc4nccn43)c2)C1 ZINC000555244673 430662594 /nfs/dbraw/zinc/66/25/94/430662594.db2.gz MQTUXBZZOHPEMT-SFHVURJKSA-N 2 1 322.412 2.513 20 0 DFADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262521107 278047999 /nfs/dbraw/zinc/04/79/99/278047999.db2.gz OCCDEMZEOFHLQL-QFBILLFUSA-N 2 1 301.478 2.851 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247955584 278134267 /nfs/dbraw/zinc/13/42/67/278134267.db2.gz FNGOQWOTDOKCBX-RYRKJORJSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247955584 278134268 /nfs/dbraw/zinc/13/42/68/278134268.db2.gz FNGOQWOTDOKCBX-RYRKJORJSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247955584 278134269 /nfs/dbraw/zinc/13/42/69/278134269.db2.gz FNGOQWOTDOKCBX-RYRKJORJSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247955584 278134270 /nfs/dbraw/zinc/13/42/70/278134270.db2.gz FNGOQWOTDOKCBX-RYRKJORJSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000572594738 430691332 /nfs/dbraw/zinc/69/13/32/430691332.db2.gz DJROZRIGDPHIJP-SJORKVTESA-N 2 1 319.424 2.679 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000572594738 430691334 /nfs/dbraw/zinc/69/13/34/430691334.db2.gz DJROZRIGDPHIJP-SJORKVTESA-N 2 1 319.424 2.679 20 0 DFADMP C[N@H+]([C@H]1CCO[C@@H]1c1cccnc1)C1CC[NH+](CC2CC2)CC1 ZINC000556694005 430689469 /nfs/dbraw/zinc/68/94/69/430689469.db2.gz QWOBWCUYCYMNGM-RBUKOAKNSA-N 2 1 315.461 2.718 20 0 DFADMP C[N@@H+]([C@H]1CCO[C@@H]1c1cccnc1)C1CC[NH+](CC2CC2)CC1 ZINC000556694005 430689471 /nfs/dbraw/zinc/68/94/71/430689471.db2.gz QWOBWCUYCYMNGM-RBUKOAKNSA-N 2 1 315.461 2.718 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000556921092 430696098 /nfs/dbraw/zinc/69/60/98/430696098.db2.gz QFGQQNKIXPCSRH-MOKVOYLWSA-N 2 1 308.388 2.686 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000556921092 430696101 /nfs/dbraw/zinc/69/61/01/430696101.db2.gz QFGQQNKIXPCSRH-MOKVOYLWSA-N 2 1 308.388 2.686 20 0 DFADMP C[C@@H](CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000248177994 278287151 /nfs/dbraw/zinc/28/71/51/278287151.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](CN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000248177994 278287152 /nfs/dbraw/zinc/28/71/52/278287152.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](CN[C@H]1C[C@@H](C)[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000248177994 278287153 /nfs/dbraw/zinc/28/71/53/278287153.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177994 278287154 /nfs/dbraw/zinc/28/71/54/278287154.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)Cc1ccccc1 ZINC000248177994 278287156 /nfs/dbraw/zinc/28/71/56/278287156.db2.gz VXLXETCUIYUADR-VXNCWWDNSA-N 2 1 303.494 2.825 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000572767738 430696870 /nfs/dbraw/zinc/69/68/70/430696870.db2.gz KJHXSBAJJHPPRB-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293497096 278344885 /nfs/dbraw/zinc/34/48/85/278344885.db2.gz SHCOIXBWARLHRJ-MRXNPFEDSA-N 2 1 317.477 2.915 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000371985458 278347070 /nfs/dbraw/zinc/34/70/70/278347070.db2.gz SRFXCFPMHKJNJI-APWZRJJASA-N 2 1 313.445 2.919 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000371985458 278347072 /nfs/dbraw/zinc/34/70/72/278347072.db2.gz SRFXCFPMHKJNJI-APWZRJJASA-N 2 1 313.445 2.919 20 0 DFADMP O[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCC2 ZINC000657710891 430716350 /nfs/dbraw/zinc/71/63/50/430716350.db2.gz YMNQBJFBTHTYKL-RBUKOAKNSA-N 2 1 314.473 2.587 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750997 430724747 /nfs/dbraw/zinc/72/47/47/430724747.db2.gz MOGMRFPLRWXLDA-XAVZPLJISA-N 2 1 300.446 2.933 20 0 DFADMP c1cc2c(cc1C[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)CCCC2 ZINC000657753870 430724781 /nfs/dbraw/zinc/72/47/81/430724781.db2.gz ZNBAICLUJUXEOQ-HXUWFJFHSA-N 2 1 314.473 2.908 20 0 DFADMP Cn1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771924 430731297 /nfs/dbraw/zinc/73/12/97/430731297.db2.gz PSLYEJNOOADCJD-SFHVURJKSA-N 2 1 324.472 2.812 20 0 DFADMP Cn1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657771924 430731301 /nfs/dbraw/zinc/73/13/01/430731301.db2.gz PSLYEJNOOADCJD-SFHVURJKSA-N 2 1 324.472 2.812 20 0 DFADMP Cc1ccccc1CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644513101 430738829 /nfs/dbraw/zinc/73/88/29/430738829.db2.gz HRSZVKZPCWPDKE-HXUWFJFHSA-N 2 1 312.457 2.620 20 0 DFADMP Cc1ccccc1CC[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644513101 430738835 /nfs/dbraw/zinc/73/88/35/430738835.db2.gz HRSZVKZPCWPDKE-HXUWFJFHSA-N 2 1 312.457 2.620 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000644660098 430783453 /nfs/dbraw/zinc/78/34/53/430783453.db2.gz GSKFACQBJYAJOS-JKSUJKDBSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCCC1(F)F ZINC000644660098 430783458 /nfs/dbraw/zinc/78/34/58/430783458.db2.gz GSKFACQBJYAJOS-JKSUJKDBSA-N 2 1 312.404 2.504 20 0 DFADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000644569547 430756949 /nfs/dbraw/zinc/75/69/49/430756949.db2.gz XECBSPGNSMNFJR-OAHLLOKOSA-N 2 1 307.413 2.618 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657872493 430757391 /nfs/dbraw/zinc/75/73/91/430757391.db2.gz PTQZFYSQPMVXGQ-SQNIBIBYSA-N 2 1 307.526 2.674 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2cnccc2o1 ZINC000657873265 430758443 /nfs/dbraw/zinc/75/84/43/430758443.db2.gz RUFVTFORQAPTES-OAHLLOKOSA-N 2 1 316.449 2.506 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CCc1cccc(-c2ccccc2)c1)C1CC1 ZINC000644594146 430763444 /nfs/dbraw/zinc/76/34/44/430763444.db2.gz PDLPDMBWWBKIHD-NRFANRHFSA-N 2 1 324.468 2.941 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CCc1cccc(-c2ccccc2)c1)C1CC1 ZINC000644594146 430763450 /nfs/dbraw/zinc/76/34/50/430763450.db2.gz PDLPDMBWWBKIHD-NRFANRHFSA-N 2 1 324.468 2.941 20 0 DFADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000657932173 430771239 /nfs/dbraw/zinc/77/12/39/430771239.db2.gz KGKFEIGZFGMQNT-QZTJIDSGSA-N 2 1 312.498 2.528 20 0 DFADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000657932173 430771243 /nfs/dbraw/zinc/77/12/43/430771243.db2.gz KGKFEIGZFGMQNT-QZTJIDSGSA-N 2 1 312.498 2.528 20 0 DFADMP COC1([C@H](C)[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCC1 ZINC000657944073 430773879 /nfs/dbraw/zinc/77/38/79/430773879.db2.gz YELCFBHISHUDQD-HOCLYGCPSA-N 2 1 318.465 2.609 20 0 DFADMP CC1(C)CCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658140346 430822746 /nfs/dbraw/zinc/82/27/46/430822746.db2.gz PZZNQKRZHZBRNE-MSOLQXFVSA-N 2 1 302.462 2.922 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658136624 430824050 /nfs/dbraw/zinc/82/40/50/430824050.db2.gz HNZGVVQAMZWOAW-QZTJIDSGSA-N 2 1 302.462 2.922 20 0 DFADMP COc1cc(OC)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000651616670 430831402 /nfs/dbraw/zinc/83/14/02/430831402.db2.gz IVOGUIGJBUFGCQ-CYBMUJFWSA-N 2 1 310.413 2.617 20 0 DFADMP C[C@H]([NH2+]CCO[C@@H]1CC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658170851 430832639 /nfs/dbraw/zinc/83/26/39/430832639.db2.gz VFZCHDROEFQBDU-BHYGNILZSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000658170457 430833169 /nfs/dbraw/zinc/83/31/69/430833169.db2.gz SPYXFZLDWJPJAX-HYVNUMGLSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000658170457 430833172 /nfs/dbraw/zinc/83/31/72/430833172.db2.gz SPYXFZLDWJPJAX-HYVNUMGLSA-N 2 1 324.415 2.911 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000644669383 430784663 /nfs/dbraw/zinc/78/46/63/430784663.db2.gz UBTXEAUUBFTBPQ-XUVXKRRUSA-N 2 1 316.489 2.895 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1C1CC1 ZINC000644669383 430784668 /nfs/dbraw/zinc/78/46/68/430784668.db2.gz UBTXEAUUBFTBPQ-XUVXKRRUSA-N 2 1 316.489 2.895 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@@H](C)c3cnc(C)cn3)C2)c1 ZINC000644668257 430784905 /nfs/dbraw/zinc/78/49/05/430784905.db2.gz LBLPLYHVUIOZPT-JKSUJKDBSA-N 2 1 311.433 2.983 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000661649923 430789470 /nfs/dbraw/zinc/78/94/70/430789470.db2.gz QVUFWLQMYWLHPD-PMACEKPBSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+](CCc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000661649923 430789474 /nfs/dbraw/zinc/78/94/74/430789474.db2.gz QVUFWLQMYWLHPD-PMACEKPBSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+](CCc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000661649923 430789478 /nfs/dbraw/zinc/78/94/78/430789478.db2.gz QVUFWLQMYWLHPD-PMACEKPBSA-N 2 1 315.505 2.720 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2CC(OC)C2)[C@@H](C)C1 ZINC000658054849 430795754 /nfs/dbraw/zinc/79/57/54/430795754.db2.gz FEDKXPMSVPDEGH-FCCDEINASA-N 2 1 312.498 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccccn2)[C@H](C)C1 ZINC000658061666 430798182 /nfs/dbraw/zinc/79/81/82/430798182.db2.gz CAAMSZKZHXAQJL-SCTDSRPQSA-N 2 1 319.493 2.912 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2[nH]c(=O)oc2c1 ZINC000651454301 430799022 /nfs/dbraw/zinc/79/90/22/430799022.db2.gz AQBJAURWDDWKAL-NDNKKMJESA-N 2 1 301.390 2.809 20 0 DFADMP COC[C@@H](CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000658085584 430804774 /nfs/dbraw/zinc/80/47/74/430804774.db2.gz RFUGTINKDMXCMD-KBXCAEBGSA-N 2 1 317.433 2.883 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000648497745 430807746 /nfs/dbraw/zinc/80/77/46/430807746.db2.gz DKLYLMVLTAAPQX-IAGOWNOFSA-N 2 1 310.482 2.569 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc2c1CCC2 ZINC000651714018 430855345 /nfs/dbraw/zinc/85/53/45/430855345.db2.gz MUHDZLXGDCJVAQ-SFHVURJKSA-N 2 1 302.462 2.502 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000665236596 430864306 /nfs/dbraw/zinc/86/43/06/430864306.db2.gz QJONQZHZQNLTNK-OKZBNKHCSA-N 2 1 301.478 2.942 20 0 DFADMP C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000665237414 430864393 /nfs/dbraw/zinc/86/43/93/430864393.db2.gz AIXDYWJVHQZDQX-OBJOEFQTSA-N 2 1 308.388 2.854 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000648714338 430865115 /nfs/dbraw/zinc/86/51/15/430865115.db2.gz AWSTYFVYLPTQEE-HNNXBMFYSA-N 2 1 320.481 2.777 20 0 DFADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000665297282 430889280 /nfs/dbraw/zinc/88/92/80/430889280.db2.gz CJRBBSKYLZKTDX-NXEZZACHSA-N 2 1 303.219 2.717 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cccc(CN3CCOCC3)c2)C[C@H](C)O1 ZINC000661851366 430865760 /nfs/dbraw/zinc/86/57/60/430865760.db2.gz SZPJWWFEPPJTJA-SJORKVTESA-N 2 1 318.461 2.518 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000665249741 430867880 /nfs/dbraw/zinc/86/78/80/430867880.db2.gz YFQXXDRYSLSUGW-ZDUSSCGKSA-N 2 1 316.449 2.893 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000648719633 430868029 /nfs/dbraw/zinc/86/80/29/430868029.db2.gz FHQOUSNDYQVDOZ-MRXNPFEDSA-N 2 1 320.481 2.779 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCOC[C@@H]2C)cc1 ZINC000665254997 430870133 /nfs/dbraw/zinc/87/01/33/430870133.db2.gz GCFGMIATQSQTFB-QZHFEQFPSA-N 2 1 318.461 2.545 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCOC1 ZINC000665253941 430870956 /nfs/dbraw/zinc/87/09/56/430870956.db2.gz CWQAQCNYOZJWBN-XOYOTBSWSA-N 2 1 306.425 2.676 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCCOC1 ZINC000665254173 430871327 /nfs/dbraw/zinc/87/13/27/430871327.db2.gz JFYWGFUYEMOLGC-AETAKHFUSA-N 2 1 306.425 2.676 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC[N@H+]1C ZINC000648731880 430872412 /nfs/dbraw/zinc/87/24/12/430872412.db2.gz VEOUELIEDIRTSM-CRAIPNDOSA-N 2 1 315.461 2.951 20 0 DFADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000665256017 430873154 /nfs/dbraw/zinc/87/31/54/430873154.db2.gz LPLLVRFMJMKYJH-NXWXRZEISA-N 2 1 318.461 2.688 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3cnccc3o2)CC1 ZINC000651791674 430876623 /nfs/dbraw/zinc/87/66/23/430876623.db2.gz MEBMOLSBAFVUKV-UHFFFAOYSA-N 2 1 324.384 2.554 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@@H](C)C1 ZINC000658331190 430877690 /nfs/dbraw/zinc/87/76/90/430877690.db2.gz MBBQJLZVHZQYDE-ULQDDVLXSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000658337944 430878178 /nfs/dbraw/zinc/87/81/78/430878178.db2.gz BLTOVRHKLUTGGU-LZBKUMLDSA-N 2 1 302.462 2.613 20 0 DFADMP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279700 430881475 /nfs/dbraw/zinc/88/14/75/430881475.db2.gz KFYIXOQJMPRULG-AZGBBHLQSA-N 2 1 304.409 2.635 20 0 DFADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000658347828 430882710 /nfs/dbraw/zinc/88/27/10/430882710.db2.gz HTHVCVVTQHAAJC-FKSLSLAPSA-N 2 1 300.446 2.543 20 0 DFADMP COc1cc(OC)c(C[N@H+](C)CCCn2cc[nH+]c2C)cc1F ZINC000651809095 430882990 /nfs/dbraw/zinc/88/29/90/430882990.db2.gz NOGGFENASJGCIT-UHFFFAOYSA-N 2 1 321.396 2.870 20 0 DFADMP COc1cc(OC)c(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1F ZINC000651809095 430882995 /nfs/dbraw/zinc/88/29/95/430882995.db2.gz NOGGFENASJGCIT-UHFFFAOYSA-N 2 1 321.396 2.870 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)[C@H](C)C1 ZINC000658349917 430883276 /nfs/dbraw/zinc/88/32/76/430883276.db2.gz VPLRAMHVBLLZNM-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000658347835 430883453 /nfs/dbraw/zinc/88/34/53/430883453.db2.gz HTHVCVVTQHAAJC-NNIGNNQHSA-N 2 1 300.446 2.543 20 0 DFADMP CC[C@@H]1C[N@@H+](CC)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648775151 430887526 /nfs/dbraw/zinc/88/75/26/430887526.db2.gz VSNJYYZKGYJHND-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP CC[C@@H]1CN(CC)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648775151 430887529 /nfs/dbraw/zinc/88/75/29/430887529.db2.gz VSNJYYZKGYJHND-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP CC[C@@H]1CN(CC)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648775151 430887532 /nfs/dbraw/zinc/88/75/32/430887532.db2.gz VSNJYYZKGYJHND-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3c2CCC3)CC1 ZINC000651634788 430838073 /nfs/dbraw/zinc/83/80/73/430838073.db2.gz BTXNDQSZYDEGEJ-MRXNPFEDSA-N 2 1 316.489 2.700 20 0 DFADMP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000661779906 430838954 /nfs/dbraw/zinc/83/89/54/430838954.db2.gz OLEREKMMSKBHFD-RCCFBDPRSA-N 2 1 304.482 2.595 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665292527 430888599 /nfs/dbraw/zinc/88/85/99/430888599.db2.gz BZNGWPKFLVWJML-HOTGVXAUSA-N 2 1 312.417 2.615 20 0 DFADMP C[C@@]1(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(F)F ZINC000658221680 430844773 /nfs/dbraw/zinc/84/47/73/430844773.db2.gz OENOROAGICIISC-LSDHHAIUSA-N 2 1 302.409 2.655 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)on1 ZINC000665299797 430891142 /nfs/dbraw/zinc/89/11/42/430891142.db2.gz SWWKLVWOKJWGEA-XJKSGUPXSA-N 2 1 315.417 2.828 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000648793911 430893889 /nfs/dbraw/zinc/89/38/89/430893889.db2.gz VINIDOVEAAUTTG-XHSDSOJGSA-N 2 1 320.481 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000648793911 430893894 /nfs/dbraw/zinc/89/38/94/430893894.db2.gz VINIDOVEAAUTTG-XHSDSOJGSA-N 2 1 320.481 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000648797887 430895722 /nfs/dbraw/zinc/89/57/22/430895722.db2.gz IRZGBYOEHXCDQI-CVEARBPZSA-N 2 1 320.481 2.729 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000648797887 430895725 /nfs/dbraw/zinc/89/57/25/430895725.db2.gz IRZGBYOEHXCDQI-CVEARBPZSA-N 2 1 320.481 2.729 20 0 DFADMP Cc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)ccc1-n1cncn1 ZINC000651865606 430896390 /nfs/dbraw/zinc/89/63/90/430896390.db2.gz AGKTTWXQYVXZCS-UHFFFAOYSA-N 2 1 315.465 2.643 20 0 DFADMP CC[N@H+](CCC[NH2+]Cc1cccc(C(N)=O)c1)C1CCCCC1 ZINC000651910311 430912141 /nfs/dbraw/zinc/91/21/41/430912141.db2.gz PAMSHKBJLNDXRG-UHFFFAOYSA-N 2 1 317.477 2.920 20 0 DFADMP CC[N@@H+](CCC[NH2+]Cc1cccc(C(N)=O)c1)C1CCCCC1 ZINC000651910311 430912144 /nfs/dbraw/zinc/91/21/44/430912144.db2.gz PAMSHKBJLNDXRG-UHFFFAOYSA-N 2 1 317.477 2.920 20 0 DFADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000651948345 430923039 /nfs/dbraw/zinc/92/30/39/430923039.db2.gz JNVTXHJKOHWCTO-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000651967822 430927125 /nfs/dbraw/zinc/92/71/25/430927125.db2.gz VULATFHOBIZQAC-HNNXBMFYSA-N 2 1 300.450 2.776 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648909145 430933643 /nfs/dbraw/zinc/93/36/43/430933643.db2.gz GNBPYEDDMOMVQE-LSDHHAIUSA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648909145 430933647 /nfs/dbraw/zinc/93/36/47/430933647.db2.gz GNBPYEDDMOMVQE-LSDHHAIUSA-N 2 1 308.470 2.633 20 0 DFADMP OCC1(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000652036249 430942786 /nfs/dbraw/zinc/94/27/86/430942786.db2.gz ALIYIPSYXZAHFX-UHFFFAOYSA-N 2 1 316.489 2.836 20 0 DFADMP C[N@@H+](CCC(=O)N[C@H]1CCC[NH+]2CCCC[C@H]12)C1CCCCC1 ZINC000655349947 430971330 /nfs/dbraw/zinc/97/13/30/430971330.db2.gz MTXPIBLGKOWGLB-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000655349947 430971340 /nfs/dbraw/zinc/97/13/40/430971340.db2.gz MTXPIBLGKOWGLB-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000655349947 430971344 /nfs/dbraw/zinc/97/13/44/430971344.db2.gz MTXPIBLGKOWGLB-ZWKOTPCHSA-N 2 1 321.509 2.774 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN([C@@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000662154067 430980045 /nfs/dbraw/zinc/98/00/45/430980045.db2.gz WDEXUABVTTXNJO-KBXCAEBGSA-N 2 1 320.864 2.858 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN(C/C=C/c3ccc(Cl)cc3)CC2)C1 ZINC000662152412 430980537 /nfs/dbraw/zinc/98/05/37/430980537.db2.gz UNWUHOKJYVNPKB-KROLTMCQSA-N 2 1 320.864 2.884 20 0 DFADMP C[NH+]1CCC2(CC1)CN(c1cc[nH+]c3ccsc31)CCO2 ZINC000645384871 430987220 /nfs/dbraw/zinc/98/72/20/430987220.db2.gz KZBSWGVLEFXCEF-UHFFFAOYSA-N 2 1 303.431 2.597 20 0 DFADMP CC[N@H+](CCCn1cc[nH+]c1C)CCOc1ccccc1OC ZINC000662207731 430997152 /nfs/dbraw/zinc/99/71/52/430997152.db2.gz MFWXZIVMORILAE-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP CC[N@@H+](CCCn1cc[nH+]c1C)CCOc1ccccc1OC ZINC000662207731 430997156 /nfs/dbraw/zinc/99/71/56/430997156.db2.gz MFWXZIVMORILAE-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256275 431020503 /nfs/dbraw/zinc/02/05/03/431020503.db2.gz UUNLQYCBXVKKRY-DLBZAZTESA-N 2 1 318.486 2.606 20 0 DFADMP Cc1cc(C)n([C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)n1 ZINC000662263202 431021292 /nfs/dbraw/zinc/02/12/92/431021292.db2.gz KXZZIYAVECJPIT-LJQANCHMSA-N 2 1 324.472 2.983 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)on2)cc1 ZINC000662267704 431023868 /nfs/dbraw/zinc/02/38/68/431023868.db2.gz YBIAWLKUALQFBC-IAOVAPTHSA-N 2 1 313.401 2.519 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3OC(F)F)C[C@@H]21 ZINC000662266298 431024611 /nfs/dbraw/zinc/02/46/11/431024611.db2.gz LHQWYENBTVTQAT-SCDSUCTJSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3OC(F)F)C[C@@H]21 ZINC000662266298 431024618 /nfs/dbraw/zinc/02/46/18/431024618.db2.gz LHQWYENBTVTQAT-SCDSUCTJSA-N 2 1 314.351 2.986 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662389605 431069292 /nfs/dbraw/zinc/06/92/92/431069292.db2.gz UDTSTULPHYKRRG-HNNXBMFYSA-N 2 1 315.461 2.532 20 0 DFADMP Oc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000652337527 431025943 /nfs/dbraw/zinc/02/59/43/431025943.db2.gz RIYAENNVJODYCX-UHFFFAOYSA-N 2 1 308.425 2.639 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000662271726 431028136 /nfs/dbraw/zinc/02/81/36/431028136.db2.gz YOABRJXSYVEQBO-UYAOXDASSA-N 2 1 324.472 2.957 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000652350984 431028223 /nfs/dbraw/zinc/02/82/23/431028223.db2.gz BYIFQYSCEXAMHL-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000652350984 431028226 /nfs/dbraw/zinc/02/82/26/431028226.db2.gz BYIFQYSCEXAMHL-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000652350985 431028477 /nfs/dbraw/zinc/02/84/77/431028477.db2.gz BYIFQYSCEXAMHL-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(C)c1 ZINC000652350985 431028481 /nfs/dbraw/zinc/02/84/81/431028481.db2.gz BYIFQYSCEXAMHL-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)on2)cc1 ZINC000662273698 431029282 /nfs/dbraw/zinc/02/92/82/431029282.db2.gz YPMOJHASAINMIM-AWEZNQCLSA-N 2 1 315.417 2.911 20 0 DFADMP Cn1c[nH+]cc1CCCN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000662273709 431030549 /nfs/dbraw/zinc/03/05/49/431030549.db2.gz YSUJOADRCOHRCL-QGZVFWFLSA-N 2 1 318.852 2.653 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](OC(C)C)C2)cc1 ZINC000652353195 431031200 /nfs/dbraw/zinc/03/12/00/431031200.db2.gz OXNIYUXSERISFD-AEFFLSMTSA-N 2 1 306.450 2.627 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+])C1CCCC1 ZINC000652355057 431031348 /nfs/dbraw/zinc/03/13/48/431031348.db2.gz OCTMXKUPAMPTKD-WBVHZDCISA-N 2 1 309.498 2.615 20 0 DFADMP CC1(C)CCCC[C@H]1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000662282108 431031723 /nfs/dbraw/zinc/03/17/23/431031723.db2.gz RYNPCMJWZLFGTD-BBWFWOEESA-N 2 1 306.494 2.903 20 0 DFADMP c1ccc(O[C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662283390 431031775 /nfs/dbraw/zinc/03/17/75/431031775.db2.gz NJKNIHSRGDNWEJ-IBGZPJMESA-N 2 1 308.425 2.986 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652361831 431032138 /nfs/dbraw/zinc/03/21/38/431032138.db2.gz QKFBLLGUMGBGLF-LFDJNIOPSA-N 2 1 324.509 2.943 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2c(F)cccc2F)C1 ZINC000652363716 431032551 /nfs/dbraw/zinc/03/25/51/431032551.db2.gz LVLSRJXQEKDJQB-CSMYWGQOSA-N 2 1 310.388 2.826 20 0 DFADMP COc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360978 431033007 /nfs/dbraw/zinc/03/30/07/431033007.db2.gz VMNXNIQTDFXSSP-UHOSZYNNSA-N 2 1 318.461 2.599 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(F)cc2)C1 ZINC000652360787 431033310 /nfs/dbraw/zinc/03/33/10/431033310.db2.gz QJSNTBUHJWKBAN-BPQIPLTHSA-N 2 1 322.424 2.565 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCOc2ccccc2)C1 ZINC000652361755 431033321 /nfs/dbraw/zinc/03/33/21/431033321.db2.gz OOINDMQIWOSVHY-NZSAHSFTSA-N 2 1 318.461 2.816 20 0 DFADMP CC(C)c1cccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000662282634 431033760 /nfs/dbraw/zinc/03/37/60/431033760.db2.gz PNSXQTRLBTZZAV-SFHVURJKSA-N 2 1 313.449 2.697 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000662286206 431035879 /nfs/dbraw/zinc/03/58/79/431035879.db2.gz POYUNBFUUTWTOR-INDMIFKZSA-N 2 1 318.461 2.592 20 0 DFADMP c1cc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)n2)co1 ZINC000662294992 431036155 /nfs/dbraw/zinc/03/61/55/431036155.db2.gz XWKDFJHUKUHYGM-CQSZACIVSA-N 2 1 316.405 2.541 20 0 DFADMP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298031 431037286 /nfs/dbraw/zinc/03/72/86/431037286.db2.gz UEGVHVHOXPJIOL-RDJZCZTQSA-N 2 1 321.509 2.535 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000662295968 431039106 /nfs/dbraw/zinc/03/91/06/431039106.db2.gz JNFHEEVUYVZBPK-LJQANCHMSA-N 2 1 314.473 2.876 20 0 DFADMP Cc1ccsc1CNC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312766 431042683 /nfs/dbraw/zinc/04/26/83/431042683.db2.gz DMMVVFQKJWORNR-UKRRQHHQSA-N 2 1 323.506 2.512 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3c(=O)[nH]2)[C@@H]1CCC[NH3+] ZINC000662313397 431043886 /nfs/dbraw/zinc/04/38/86/431043886.db2.gz LZZGBAVWXXJCQS-CZUORRHYSA-N 2 1 314.433 2.675 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000662324194 431045970 /nfs/dbraw/zinc/04/59/70/431045970.db2.gz VUYAQIAZXMWZNE-SFHVURJKSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCc2cccc(F)c2)CCO1 ZINC000662325847 431046363 /nfs/dbraw/zinc/04/63/63/431046363.db2.gz QVBPCKUCWKFEBB-GOSISDBHSA-N 2 1 308.441 2.801 20 0 DFADMP COc1cccc([C@@H](C)[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319174 431046444 /nfs/dbraw/zinc/04/64/44/431046444.db2.gz GCTXSOSQFBLZOG-CRAIPNDOSA-N 2 1 306.450 2.799 20 0 DFADMP COc1cccc([C@@H](C)[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319174 431046449 /nfs/dbraw/zinc/04/64/49/431046449.db2.gz GCTXSOSQFBLZOG-CRAIPNDOSA-N 2 1 306.450 2.799 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCOCc2ccccc2)CCO1 ZINC000662321379 431047208 /nfs/dbraw/zinc/04/72/08/431047208.db2.gz BZFOMBHCERMVAL-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP CCc1cc(N2CCC[N@H+](Cc3nc(C)c(C)o3)CC2)cc[nH+]1 ZINC000649270160 431050249 /nfs/dbraw/zinc/05/02/49/431050249.db2.gz RXBLEQGQZHDGLS-UHFFFAOYSA-N 2 1 314.433 2.961 20 0 DFADMP CCc1cc(N2CCC[N@@H+](Cc3nc(C)c(C)o3)CC2)cc[nH+]1 ZINC000649270160 431050254 /nfs/dbraw/zinc/05/02/54/431050254.db2.gz RXBLEQGQZHDGLS-UHFFFAOYSA-N 2 1 314.433 2.961 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CCC(C)(C)[NH3+])c1ccccc1Cl ZINC000649279518 431054727 /nfs/dbraw/zinc/05/47/27/431054727.db2.gz WIVDMYSMBVSGMI-AWEZNQCLSA-N 2 1 311.857 2.576 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCCC[NH2+]2)c1 ZINC000649306870 431062577 /nfs/dbraw/zinc/06/25/77/431062577.db2.gz VTCCJFIEKMVQHT-GOSISDBHSA-N 2 1 317.477 2.675 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649334939 431070560 /nfs/dbraw/zinc/07/05/60/431070560.db2.gz XMYQLXVNIUJSJF-HOTGVXAUSA-N 2 1 323.868 2.721 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649334939 431070563 /nfs/dbraw/zinc/07/05/63/431070563.db2.gz XMYQLXVNIUJSJF-HOTGVXAUSA-N 2 1 323.868 2.721 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000662390149 431068932 /nfs/dbraw/zinc/06/89/32/431068932.db2.gz WWIFQXUHBCKGGL-IRXDYDNUSA-N 2 1 311.514 2.626 20 0 DFADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662248205 431012603 /nfs/dbraw/zinc/01/26/03/431012603.db2.gz WBMVRVJCABDHGY-CQSZACIVSA-N 2 1 300.349 2.514 20 0 DFADMP c1ccc(CC[C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251109 431014785 /nfs/dbraw/zinc/01/47/85/431014785.db2.gz YWUUMXVSCNPRPH-ZWKOTPCHSA-N 2 1 300.446 2.605 20 0 DFADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254820 431015489 /nfs/dbraw/zinc/01/54/89/431015489.db2.gz ADWDZXGMKJDYLK-KMFMINBZSA-N 2 1 304.409 2.525 20 0 DFADMP c1ccc(C[C@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256155 431016607 /nfs/dbraw/zinc/01/66/07/431016607.db2.gz HJUHFLUKPSLOMF-MSOLQXFVSA-N 2 1 300.446 2.605 20 0 DFADMP Cc1ccc(C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1C ZINC000662258142 431017767 /nfs/dbraw/zinc/01/77/67/431017767.db2.gz XFAOSXXIJMGSQC-SFHVURJKSA-N 2 1 300.446 2.789 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000662389216 431069140 /nfs/dbraw/zinc/06/91/40/431069140.db2.gz WDIUIOUEHUKNDG-RHSMWYFYSA-N 2 1 303.450 2.855 20 0 DFADMP Fc1ccc([C@H]2CCCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257079 431019000 /nfs/dbraw/zinc/01/90/00/431019000.db2.gz MRBNDYYPSLQNNR-IAGOWNOFSA-N 2 1 304.409 2.874 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1cccc(F)c1 ZINC000662256242 431019266 /nfs/dbraw/zinc/01/92/66/431019266.db2.gz HQQSCZHHDJIFFB-XOKHGSTOSA-N 2 1 304.409 2.730 20 0 DFADMP Cc1cnc([C@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000655754476 431115459 /nfs/dbraw/zinc/11/54/59/431115459.db2.gz WSUNQGPWKKFVCU-CJNGLKHVSA-N 2 1 323.506 2.788 20 0 DFADMP C[C@](O)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655760199 431120789 /nfs/dbraw/zinc/12/07/89/431120789.db2.gz MNVNRQQZBUUCTR-MOPGFXCFSA-N 2 1 324.509 2.551 20 0 DFADMP FC1(F)CCC[C@H](C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)C1 ZINC000655763111 431123245 /nfs/dbraw/zinc/12/32/45/431123245.db2.gz LFRRRXZMHZGNJM-DZGCQCFKSA-N 2 1 302.409 2.655 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000649341721 431070832 /nfs/dbraw/zinc/07/08/32/431070832.db2.gz SRDIMVANPHASCA-BBWFWOEESA-N 2 1 309.498 2.617 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC(C)(C)[NH3+])[C@H]1c1cccs1 ZINC000649340909 431070887 /nfs/dbraw/zinc/07/08/87/431070887.db2.gz AMILREJCCAWCOT-BBRMVZONSA-N 2 1 323.506 2.765 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649343944 431072263 /nfs/dbraw/zinc/07/22/63/431072263.db2.gz HSMWAZQETHCXEE-CJNGLKHVSA-N 2 1 323.868 2.530 20 0 DFADMP CCOCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655688104 431082052 /nfs/dbraw/zinc/08/20/52/431082052.db2.gz KZJABHWLEUIMND-LJQANCHMSA-N 2 1 318.461 2.566 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662458460 431086394 /nfs/dbraw/zinc/08/63/94/431086394.db2.gz MKWZTHVWMWORHJ-FUHWJXTLSA-N 2 1 315.461 2.602 20 0 DFADMP c1ccc(CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655695569 431087275 /nfs/dbraw/zinc/08/72/75/431087275.db2.gz NDDCKHMPCSNOHT-LJQANCHMSA-N 2 1 302.462 2.852 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cc(Br)cc2cccnc21 ZINC000649410145 431093044 /nfs/dbraw/zinc/09/30/44/431093044.db2.gz TWOLPCBMTYQQHF-UHFFFAOYSA-N 2 1 308.223 2.778 20 0 DFADMP C[C@@H]1C[C@H](N(C)C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000649413520 431093955 /nfs/dbraw/zinc/09/39/55/431093955.db2.gz CIBAFYHYFJLNCP-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP CCCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000649411913 431094415 /nfs/dbraw/zinc/09/44/15/431094415.db2.gz TVEYAQWXLWDVJN-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP CCC[N@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649411913 431094422 /nfs/dbraw/zinc/09/44/22/431094422.db2.gz TVEYAQWXLWDVJN-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000649411913 431094425 /nfs/dbraw/zinc/09/44/25/431094425.db2.gz TVEYAQWXLWDVJN-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP CCO[C@@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000655718309 431095491 /nfs/dbraw/zinc/09/54/91/431095491.db2.gz ITEYHXOJSMAUCN-ROUUACIJSA-N 2 1 312.498 2.671 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415222 431095881 /nfs/dbraw/zinc/09/58/81/431095881.db2.gz QCMPHBPFYKBXOR-HZPDHXFCSA-N 2 1 312.461 2.580 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000655718378 431097194 /nfs/dbraw/zinc/09/71/94/431097194.db2.gz MTKHDSGKFMLYRO-BBRMVZONSA-N 2 1 324.415 2.911 20 0 DFADMP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655722222 431098354 /nfs/dbraw/zinc/09/83/54/431098354.db2.gz ZYOCRFDVWAYBPD-IBGZPJMESA-N 2 1 320.452 2.910 20 0 DFADMP c1ccc(NCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655723121 431101062 /nfs/dbraw/zinc/10/10/62/431101062.db2.gz HGFHJLLIQHVASF-IBGZPJMESA-N 2 1 317.477 2.722 20 0 DFADMP c1ccc2c(c1)CC[C@@H](C[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000655729465 431103821 /nfs/dbraw/zinc/10/38/21/431103821.db2.gz HHCIKSMXAGDOSQ-OXQOHEQNSA-N 2 1 314.473 2.634 20 0 DFADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728464 431104177 /nfs/dbraw/zinc/10/41/77/431104177.db2.gz UZBSUBBYYZIVAZ-BPQIPLTHSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460626 431108258 /nfs/dbraw/zinc/10/82/58/431108258.db2.gz DEVDJMVETWPBEU-SOLBZPMBSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000649460626 431108262 /nfs/dbraw/zinc/10/82/62/431108262.db2.gz DEVDJMVETWPBEU-SOLBZPMBSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000649460626 431108267 /nfs/dbraw/zinc/10/82/67/431108267.db2.gz DEVDJMVETWPBEU-SOLBZPMBSA-N 2 1 313.445 2.542 20 0 DFADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000370422769 279025802 /nfs/dbraw/zinc/02/58/02/279025802.db2.gz SGNHAVWSDZZADM-UKBAYJJMSA-N 2 1 317.477 2.930 20 0 DFADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)c1 ZINC000370422769 279025804 /nfs/dbraw/zinc/02/58/04/279025804.db2.gz SGNHAVWSDZZADM-UKBAYJJMSA-N 2 1 317.477 2.930 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000649501832 431127070 /nfs/dbraw/zinc/12/70/70/431127070.db2.gz YGMRDNBULAXXAI-NUJGCVRESA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000649501832 431127074 /nfs/dbraw/zinc/12/70/74/431127074.db2.gz YGMRDNBULAXXAI-NUJGCVRESA-N 2 1 313.445 2.542 20 0 DFADMP CCc1cc(CCC[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)on1 ZINC000649501351 431127644 /nfs/dbraw/zinc/12/76/44/431127644.db2.gz HDIVOBNLDIZYBH-CQSZACIVSA-N 2 1 302.422 2.561 20 0 DFADMP CCc1cc(CCC[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)on1 ZINC000649501351 431127646 /nfs/dbraw/zinc/12/76/46/431127646.db2.gz HDIVOBNLDIZYBH-CQSZACIVSA-N 2 1 302.422 2.561 20 0 DFADMP C[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000293613228 279092860 /nfs/dbraw/zinc/09/28/60/279092860.db2.gz GRDXMSPIFFCHCT-APWZRJJASA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1[C@@H](NC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000293613228 279092863 /nfs/dbraw/zinc/09/28/63/279092863.db2.gz GRDXMSPIFFCHCT-APWZRJJASA-N 2 1 301.478 2.723 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCOC2(CCC2)C1 ZINC000655773311 431132732 /nfs/dbraw/zinc/13/27/32/431132732.db2.gz VLPOPUCGFYWOGA-AEFFLSMTSA-N 2 1 322.493 2.569 20 0 DFADMP OC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655777614 431133264 /nfs/dbraw/zinc/13/32/64/431133264.db2.gz XLMWUTLSTYLOKV-MOPGFXCFSA-N 2 1 324.509 2.551 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000360942389 288107136 /nfs/dbraw/zinc/10/71/36/288107136.db2.gz OWCQHUHOUHXSNJ-KLHDSHLOSA-N 2 1 318.509 2.814 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000357401506 279140636 /nfs/dbraw/zinc/14/06/36/279140636.db2.gz PTIOYLIDUXGGJZ-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC12CCSCC2 ZINC000655776589 431133909 /nfs/dbraw/zinc/13/39/09/431133909.db2.gz JPERHWCSWNRCRH-DOTOQJQBSA-N 2 1 324.534 2.753 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)CC(C)C ZINC000353847290 279163766 /nfs/dbraw/zinc/16/37/66/279163766.db2.gz SZZFNUPSNBNJHF-IRXDYDNUSA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000353760102 279178224 /nfs/dbraw/zinc/17/82/24/279178224.db2.gz ZDRYXNXTJVGFRN-JYJNAYRXSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000353760102 279178225 /nfs/dbraw/zinc/17/82/25/279178225.db2.gz ZDRYXNXTJVGFRN-JYJNAYRXSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309894096 279256254 /nfs/dbraw/zinc/25/62/54/279256254.db2.gz FVDWITMUFAASFT-OQIJWPOYSA-N 3 1 301.478 2.614 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000655788492 431139886 /nfs/dbraw/zinc/13/98/86/431139886.db2.gz JVAZDSDQRFCLIE-AEFFLSMTSA-N 2 1 317.477 2.544 20 0 DFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@@H](C)CC(C)C)CC2)CC1 ZINC000355681075 279338846 /nfs/dbraw/zinc/33/88/46/279338846.db2.gz MPNXDHADRFQRCA-KRWDZBQOSA-N 2 1 323.525 2.687 20 0 DFADMP CCN(C(=O)CC1([NH3+])CC1)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662693873 431165495 /nfs/dbraw/zinc/16/54/95/431165495.db2.gz MKUQPRJFOBIGMI-NVXWUHKLSA-N 2 1 315.461 2.552 20 0 DFADMP CC[C@H](CC(F)F)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000659892138 431177022 /nfs/dbraw/zinc/17/70/22/431177022.db2.gz RWZBIDSDCBJWKE-UONOGXRCSA-N 2 1 306.441 2.692 20 0 DFADMP CCc1ccc(CC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646104276 431186469 /nfs/dbraw/zinc/18/64/69/431186469.db2.gz GIDULZCHYVBFBS-UHFFFAOYSA-N 2 1 302.462 2.588 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@@H]1CCc3ccc(F)cc31)CCO2 ZINC000646104851 431187703 /nfs/dbraw/zinc/18/77/03/431187703.db2.gz QMAISRIFMNKGCD-QGZVFWFLSA-N 2 1 304.409 2.610 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCc3ccc(F)cc31)CCO2 ZINC000646104851 431187707 /nfs/dbraw/zinc/18/77/07/431187707.db2.gz QMAISRIFMNKGCD-QGZVFWFLSA-N 2 1 304.409 2.610 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CC/C=C/c1ccccc1)CCO2 ZINC000646106678 431187886 /nfs/dbraw/zinc/18/78/86/431187886.db2.gz LETRNAVLNRHAKX-WEVVVXLNSA-N 2 1 300.446 2.887 20 0 DFADMP C[N@H+]1CCC[C@H]1CN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000649610033 431194925 /nfs/dbraw/zinc/19/49/25/431194925.db2.gz GECLODSEQYPMSA-VQTJNVASSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC[C@H]1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000649610033 431194931 /nfs/dbraw/zinc/19/49/31/431194931.db2.gz GECLODSEQYPMSA-VQTJNVASSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC[C@H]1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649610033 431194938 /nfs/dbraw/zinc/19/49/38/431194938.db2.gz GECLODSEQYPMSA-VQTJNVASSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000659931526 431196907 /nfs/dbraw/zinc/19/69/07/431196907.db2.gz OWKMXPJUDXRTTO-OALUTQOASA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000659931526 431196913 /nfs/dbraw/zinc/19/69/13/431196913.db2.gz OWKMXPJUDXRTTO-OALUTQOASA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000659931526 431196918 /nfs/dbraw/zinc/19/69/18/431196918.db2.gz OWKMXPJUDXRTTO-OALUTQOASA-N 2 1 304.478 2.703 20 0 DFADMP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@@H]1CCC[N@H+]1C ZINC000649549666 431153885 /nfs/dbraw/zinc/15/38/85/431153885.db2.gz NTNVHGZBKNVFKR-AWEZNQCLSA-N 2 1 309.420 2.677 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649547680 431155372 /nfs/dbraw/zinc/15/53/72/431155372.db2.gz ZOVBPKSONBAINS-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649547680 431155378 /nfs/dbraw/zinc/15/53/78/431155378.db2.gz ZOVBPKSONBAINS-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000649547680 431155381 /nfs/dbraw/zinc/15/53/81/431155381.db2.gz ZOVBPKSONBAINS-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000662668488 431156722 /nfs/dbraw/zinc/15/67/22/431156722.db2.gz NIEDKFLMMOKDLA-YOEHRIQHSA-N 2 1 315.461 2.843 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805582 431158423 /nfs/dbraw/zinc/15/84/23/431158423.db2.gz JESCUEJUCNWIDU-LMCOJAPRSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805582 431158426 /nfs/dbraw/zinc/15/84/26/431158426.db2.gz JESCUEJUCNWIDU-LMCOJAPRSA-N 3 1 315.505 2.827 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655907679 431215228 /nfs/dbraw/zinc/21/52/28/431215228.db2.gz MDJQYBKNKGKIEG-IAGOWNOFSA-N 2 1 316.449 2.544 20 0 DFADMP CC[NH+]1CCC([N@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659983177 431219068 /nfs/dbraw/zinc/21/90/68/431219068.db2.gz GGLFCBKGTGPQFN-MRXNPFEDSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659983177 431219073 /nfs/dbraw/zinc/21/90/73/431219073.db2.gz GGLFCBKGTGPQFN-MRXNPFEDSA-N 2 1 323.525 2.687 20 0 DFADMP CN(CC[NH+]1CCCCC1)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000652990216 431221363 /nfs/dbraw/zinc/22/13/63/431221363.db2.gz KIEFTUYMEGDUPL-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000662876927 431223953 /nfs/dbraw/zinc/22/39/53/431223953.db2.gz CKFQHRXSMPNNIK-WMZOPIPTSA-N 2 1 315.461 2.518 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000662876927 431223957 /nfs/dbraw/zinc/22/39/57/431223957.db2.gz CKFQHRXSMPNNIK-WMZOPIPTSA-N 2 1 315.461 2.518 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C)CC23CCCCC3)C1 ZINC000659987599 431224159 /nfs/dbraw/zinc/22/41/59/431224159.db2.gz AYEALEWBELRNNI-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](C)CC23CCCCC3)C1 ZINC000659987599 431224166 /nfs/dbraw/zinc/22/41/66/431224166.db2.gz AYEALEWBELRNNI-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](C)CC23CCCCC3)C1 ZINC000659987599 431224171 /nfs/dbraw/zinc/22/41/71/431224171.db2.gz AYEALEWBELRNNI-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCc2c(F)cccc2F)CC12CCOCC2 ZINC000655941590 431225540 /nfs/dbraw/zinc/22/55/40/431225540.db2.gz XNFQAQXBPKKHBP-AWEZNQCLSA-N 2 1 324.415 2.585 20 0 DFADMP c1n[nH]cc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000646212992 431226940 /nfs/dbraw/zinc/22/69/40/431226940.db2.gz COVHFQAKZBFXNR-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2c(F)cccc2F)CC12CCOCC2 ZINC000655941591 431227307 /nfs/dbraw/zinc/22/73/07/431227307.db2.gz XNFQAQXBPKKHBP-CQSZACIVSA-N 2 1 324.415 2.585 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000646243264 431235620 /nfs/dbraw/zinc/23/56/20/431235620.db2.gz SDEBCTFGYNIXIW-LPHOPBHVSA-N 2 1 300.446 2.970 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000646243264 431235625 /nfs/dbraw/zinc/23/56/25/431235625.db2.gz SDEBCTFGYNIXIW-LPHOPBHVSA-N 2 1 300.446 2.970 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCOc4ccccc43)C2)C1 ZINC000646243264 431235629 /nfs/dbraw/zinc/23/56/29/431235629.db2.gz SDEBCTFGYNIXIW-LPHOPBHVSA-N 2 1 300.446 2.970 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)C1CCCCC1 ZINC000660118445 431276232 /nfs/dbraw/zinc/27/62/32/431276232.db2.gz UYOOKTZGWVLOOS-NCXUSEDFSA-N 2 1 324.509 2.765 20 0 DFADMP C[N@@H+](C[C@H](O)CN1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794131 431295384 /nfs/dbraw/zinc/29/53/84/431295384.db2.gz AVFFGQMPVDRMKW-MSOLQXFVSA-N 2 1 320.452 2.678 20 0 DFADMP CN(C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794131 431295390 /nfs/dbraw/zinc/29/53/90/431295390.db2.gz AVFFGQMPVDRMKW-MSOLQXFVSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794131 431295400 /nfs/dbraw/zinc/29/54/00/431295400.db2.gz AVFFGQMPVDRMKW-MSOLQXFVSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794131 431295404 /nfs/dbraw/zinc/29/54/04/431295404.db2.gz AVFFGQMPVDRMKW-MSOLQXFVSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794131 431295408 /nfs/dbraw/zinc/29/54/08/431295408.db2.gz AVFFGQMPVDRMKW-MSOLQXFVSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794131 431295415 /nfs/dbraw/zinc/29/54/15/431295415.db2.gz AVFFGQMPVDRMKW-MSOLQXFVSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)CN1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794133 431296116 /nfs/dbraw/zinc/29/61/16/431296116.db2.gz AVFFGQMPVDRMKW-ROUUACIJSA-N 2 1 320.452 2.678 20 0 DFADMP CN(C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794133 431296117 /nfs/dbraw/zinc/29/61/17/431296117.db2.gz AVFFGQMPVDRMKW-ROUUACIJSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794133 431296122 /nfs/dbraw/zinc/29/61/22/431296122.db2.gz AVFFGQMPVDRMKW-ROUUACIJSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794133 431296124 /nfs/dbraw/zinc/29/61/24/431296124.db2.gz AVFFGQMPVDRMKW-ROUUACIJSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794133 431296128 /nfs/dbraw/zinc/29/61/28/431296128.db2.gz AVFFGQMPVDRMKW-ROUUACIJSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794133 431296129 /nfs/dbraw/zinc/29/61/29/431296129.db2.gz AVFFGQMPVDRMKW-ROUUACIJSA-N 2 1 320.452 2.678 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H]2COC(C)(C)C2)CC1 ZINC000660159149 431298416 /nfs/dbraw/zinc/29/84/16/431298416.db2.gz QWKBZDKAVUMGDF-KRWDZBQOSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000656198222 431303855 /nfs/dbraw/zinc/30/38/55/431303855.db2.gz YMJALGGRGORENW-AABGKKOBSA-N 2 1 315.505 2.929 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000656198222 431303862 /nfs/dbraw/zinc/30/38/62/431303862.db2.gz YMJALGGRGORENW-AABGKKOBSA-N 2 1 315.505 2.929 20 0 DFADMP FC(F)(F)Oc1cccc(C2([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC000656201529 431305705 /nfs/dbraw/zinc/30/57/05/431305705.db2.gz QVAUGOOMXUOYGG-UHFFFAOYSA-N 2 1 300.324 2.916 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(Cc3ccccc3)CC[C@H]2C)CC[NH2+]1 ZINC000666636650 431309987 /nfs/dbraw/zinc/30/99/87/431309987.db2.gz CQTWWNVNJBTHPZ-GGPKGHCWSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660213580 431324166 /nfs/dbraw/zinc/32/41/66/431324166.db2.gz SROZNCITDOVIDS-ZWKOTPCHSA-N 2 1 310.457 2.684 20 0 DFADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@@H]1CCCC[NH2+]1 ZINC000666769751 431350532 /nfs/dbraw/zinc/35/05/32/431350532.db2.gz FDXWYHQWQZMRSM-HOTGVXAUSA-N 2 1 306.450 2.757 20 0 DFADMP [NH3+][C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CC[C@H]1F ZINC000663277124 431351848 /nfs/dbraw/zinc/35/18/48/431351848.db2.gz RYRDKNZLJHLRLD-VXGBXAGGSA-N 2 1 324.197 2.873 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000656281526 431357062 /nfs/dbraw/zinc/35/70/62/431357062.db2.gz ZFSLODLRGPXIND-GOSISDBHSA-N 2 1 318.461 2.772 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291148 431363626 /nfs/dbraw/zinc/36/36/26/431363626.db2.gz VLWGRKDKHFPANM-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291148 431363634 /nfs/dbraw/zinc/36/36/34/431363634.db2.gz VLWGRKDKHFPANM-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1 ZINC000660291148 431363639 /nfs/dbraw/zinc/36/36/39/431363639.db2.gz VLWGRKDKHFPANM-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP c1cc2c(cc[nH+]c2NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)[nH]1 ZINC000663322421 431365666 /nfs/dbraw/zinc/36/56/66/431365666.db2.gz IALMCIGQJBIFCD-INIZCTEOSA-N 2 1 322.412 2.876 20 0 DFADMP c1cc2c(cc[nH+]c2NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)[nH]1 ZINC000663322421 431365675 /nfs/dbraw/zinc/36/56/75/431365675.db2.gz IALMCIGQJBIFCD-INIZCTEOSA-N 2 1 322.412 2.876 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCO[C@H]1CC1(F)F ZINC000660416772 431418044 /nfs/dbraw/zinc/41/80/44/431418044.db2.gz OROVXRFWQLHVAF-ZDUSSCGKSA-N 2 1 301.381 2.582 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCO[C@H]1CC1(F)F ZINC000660416772 431418048 /nfs/dbraw/zinc/41/80/48/431418048.db2.gz OROVXRFWQLHVAF-ZDUSSCGKSA-N 2 1 301.381 2.582 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000666953933 431422489 /nfs/dbraw/zinc/42/24/89/431422489.db2.gz LJKQHHVOFVBPNC-NEWSRXKRSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000666953933 431422496 /nfs/dbraw/zinc/42/24/96/431422496.db2.gz LJKQHHVOFVBPNC-NEWSRXKRSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000666953934 431422980 /nfs/dbraw/zinc/42/29/80/431422980.db2.gz LJKQHHVOFVBPNC-NZSAHSFTSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000666953934 431422984 /nfs/dbraw/zinc/42/29/84/431422984.db2.gz LJKQHHVOFVBPNC-NZSAHSFTSA-N 3 1 313.489 2.771 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663347225 431375637 /nfs/dbraw/zinc/37/56/37/431375637.db2.gz HMOVFVZBMVDRGA-GOSISDBHSA-N 2 1 315.461 2.857 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c2c(c1)OCCO2 ZINC000663347583 431376043 /nfs/dbraw/zinc/37/60/43/431376043.db2.gz PJHLAHYRPKXZIO-INIZCTEOSA-N 2 1 316.445 2.669 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c2c(c1)OCCO2 ZINC000663347583 431376050 /nfs/dbraw/zinc/37/60/50/431376050.db2.gz PJHLAHYRPKXZIO-INIZCTEOSA-N 2 1 316.445 2.669 20 0 DFADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663344985 431376388 /nfs/dbraw/zinc/37/63/88/431376388.db2.gz DLZZAXDOMZZTFB-INIZCTEOSA-N 2 1 303.450 2.692 20 0 DFADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663344985 431376394 /nfs/dbraw/zinc/37/63/94/431376394.db2.gz DLZZAXDOMZZTFB-INIZCTEOSA-N 2 1 303.450 2.692 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1OC ZINC000663347666 431376613 /nfs/dbraw/zinc/37/66/13/431376613.db2.gz RRRGNFYLLLUWPX-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1OC ZINC000663347666 431376619 /nfs/dbraw/zinc/37/66/19/431376619.db2.gz RRRGNFYLLLUWPX-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP C[N@@H+](CCC1CCC1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334526 431385721 /nfs/dbraw/zinc/38/57/21/431385721.db2.gz NHEVEFXXBOLHTF-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+](CCC1CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334526 431385725 /nfs/dbraw/zinc/38/57/25/431385725.db2.gz NHEVEFXXBOLHTF-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](CCC1CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334526 431385728 /nfs/dbraw/zinc/38/57/28/431385728.db2.gz NHEVEFXXBOLHTF-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CCC1CCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334526 431385735 /nfs/dbraw/zinc/38/57/35/431385735.db2.gz NHEVEFXXBOLHTF-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CCC1CCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334526 431385737 /nfs/dbraw/zinc/38/57/37/431385737.db2.gz NHEVEFXXBOLHTF-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c(SC)cc1OC ZINC000666855410 431387519 /nfs/dbraw/zinc/38/75/19/431387519.db2.gz QGZZBDUCLPJLKT-ZDUSSCGKSA-N 2 1 310.463 2.657 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)nc(C)n1 ZINC000660340879 431388908 /nfs/dbraw/zinc/38/89/08/431388908.db2.gz ZWHUJJQICOVIRD-MRXNPFEDSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1cc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)nc(C)n1 ZINC000660340879 431388914 /nfs/dbraw/zinc/38/89/14/431388914.db2.gz ZWHUJJQICOVIRD-MRXNPFEDSA-N 2 1 311.433 2.616 20 0 DFADMP OC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000663368828 431390655 /nfs/dbraw/zinc/39/06/55/431390655.db2.gz OVYUXISNKKLEFQ-SFHVURJKSA-N 2 1 314.473 2.793 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@H]3CCC[C@H]([NH3+])C3)n2)C1 ZINC000653472467 431393878 /nfs/dbraw/zinc/39/38/78/431393878.db2.gz QXXNKSNHDQVVNY-KBPBESRZSA-N 2 1 303.454 2.785 20 0 DFADMP OC1CC[NH+](CCCNc2cc[nH+]c3ccc(Cl)cc23)CC1 ZINC000663402627 431406479 /nfs/dbraw/zinc/40/64/79/431406479.db2.gz NYXWZEMLTFDKRP-UHFFFAOYSA-N 2 1 319.836 2.569 20 0 DFADMP COc1ccccc1OCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656496827 431410147 /nfs/dbraw/zinc/41/01/47/431410147.db2.gz GQMLFCBICGSJOJ-UHFFFAOYSA-N 2 1 304.434 2.681 20 0 DFADMP C[N@@H+](C[C@@H]1CCn2ccnc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656504270 431411860 /nfs/dbraw/zinc/41/18/60/431411860.db2.gz RRYQCVKNIYEAMU-RTBURBONSA-N 2 1 324.472 2.652 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993876 431437579 /nfs/dbraw/zinc/43/75/79/431437579.db2.gz QKIXKMZJHLNMAD-CQSZACIVSA-N 2 1 314.458 2.969 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@H]1CC[NH2+]C3(CCC3)C1)O[C@@H](C)C2 ZINC000666998285 431440038 /nfs/dbraw/zinc/44/00/38/431440038.db2.gz LZKDFWFPWVFUTR-BBRMVZONSA-N 2 1 316.445 2.783 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H]1CCCN(C(=O)C(C)(C)C)C1 ZINC000660463708 431442696 /nfs/dbraw/zinc/44/26/96/431442696.db2.gz GBBRLQNAKHMWMJ-KRWDZBQOSA-N 2 1 323.525 2.689 20 0 DFADMP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)n1 ZINC000653592071 431451527 /nfs/dbraw/zinc/45/15/27/431451527.db2.gz IETLOSQEOGNPSA-CQSZACIVSA-N 2 1 323.400 2.768 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663507605 431451935 /nfs/dbraw/zinc/45/19/35/431451935.db2.gz ZNXLNMGDUSRBDB-IAGOWNOFSA-N 2 1 307.457 2.516 20 0 DFADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000663510006 431452351 /nfs/dbraw/zinc/45/23/51/431452351.db2.gz CCTLATIMGWYNRE-NXEZZACHSA-N 2 1 303.219 2.717 20 0 DFADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000663514791 431453251 /nfs/dbraw/zinc/45/32/51/431453251.db2.gz TUNBNNWYJNSXNM-ZJUUUORDSA-N 2 1 303.219 2.717 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](c1ccc(F)cc1F)C(C)C ZINC000653607320 431457454 /nfs/dbraw/zinc/45/74/54/431457454.db2.gz ZHLACEQYKLBQPK-CZUORRHYSA-N 2 1 300.393 2.564 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000653607312 431457946 /nfs/dbraw/zinc/45/79/46/431457946.db2.gz ZHLACEQYKLBQPK-BBRMVZONSA-N 2 1 300.393 2.564 20 0 DFADMP C[C@@H]([NH2+]CCCc1cncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000653614040 431461016 /nfs/dbraw/zinc/46/10/16/431461016.db2.gz LKKGGVJGPKWZSL-CVEARBPZSA-N 3 1 304.482 2.595 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000653614040 431461029 /nfs/dbraw/zinc/46/10/29/431461029.db2.gz LKKGGVJGPKWZSL-CVEARBPZSA-N 3 1 304.482 2.595 20 0 DFADMP COCc1ccc([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)o1 ZINC000653618673 431463811 /nfs/dbraw/zinc/46/38/11/431463811.db2.gz RZYOOIMYYFBGIC-MRXNPFEDSA-N 2 1 303.406 2.929 20 0 DFADMP COCc1ccc([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)o1 ZINC000653618673 431463817 /nfs/dbraw/zinc/46/38/17/431463817.db2.gz RZYOOIMYYFBGIC-MRXNPFEDSA-N 2 1 303.406 2.929 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]2CCCO[C@H]21 ZINC000663471821 431436419 /nfs/dbraw/zinc/43/64/19/431436419.db2.gz YNWYLAJMFXREBE-BSDSXHPESA-N 2 1 306.494 2.902 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762172 431516641 /nfs/dbraw/zinc/51/66/41/431516641.db2.gz YYAQTPDWZMGZSF-ZWKOTPCHSA-N 2 1 302.462 2.569 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762172 431516645 /nfs/dbraw/zinc/51/66/45/431516645.db2.gz YYAQTPDWZMGZSF-ZWKOTPCHSA-N 2 1 302.462 2.569 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000653762172 431516655 /nfs/dbraw/zinc/51/66/55/431516655.db2.gz YYAQTPDWZMGZSF-ZWKOTPCHSA-N 2 1 302.462 2.569 20 0 DFADMP Fc1cccn2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)nc12 ZINC000656784328 431519190 /nfs/dbraw/zinc/51/91/90/431519190.db2.gz COMOAXYXSVUDEG-HNNXBMFYSA-N 2 1 316.424 2.685 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785921 431522490 /nfs/dbraw/zinc/52/24/90/431522490.db2.gz NGBOXLXFKXKYJN-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249143 431527974 /nfs/dbraw/zinc/52/79/74/431527974.db2.gz DRBUQBJMUPLIAL-YRXWBPOGSA-N 2 1 302.462 2.879 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000650190989 431481714 /nfs/dbraw/zinc/48/17/14/431481714.db2.gz PGYLECHWABMRCG-RDTXWAMCSA-N 2 1 301.434 2.970 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000656696835 431481771 /nfs/dbraw/zinc/48/17/71/431481771.db2.gz CIAQDARMZOBGRU-GOSISDBHSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(C)(c2ccccc2)CC1 ZINC000656696835 431481773 /nfs/dbraw/zinc/48/17/73/431481773.db2.gz CIAQDARMZOBGRU-GOSISDBHSA-N 2 1 304.478 2.741 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cncnc2OC)cc1 ZINC000647168704 431489517 /nfs/dbraw/zinc/48/95/17/431489517.db2.gz HZVOMVXDOUYAJM-UHFFFAOYSA-N 2 1 314.433 2.617 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CC[NH+](C3CC3)CC2)o1 ZINC000647169227 431491244 /nfs/dbraw/zinc/49/12/44/431491244.db2.gz GJTUCSZISXGJIP-UHFFFAOYSA-N 2 1 314.433 2.705 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1ccnn1-c1ccccn1)C(C)C ZINC000647188819 431502152 /nfs/dbraw/zinc/50/21/52/431502152.db2.gz LNTFIALHIHQFCR-UHFFFAOYSA-N 2 1 315.465 2.866 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000647186454 431502840 /nfs/dbraw/zinc/50/28/40/431502840.db2.gz MWJQAYGBRINSQV-IUODEOHRSA-N 2 1 302.422 2.561 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000653727150 431503691 /nfs/dbraw/zinc/50/36/91/431503691.db2.gz UTKKEUMAUQAAFS-UHFFFAOYSA-N 2 1 310.869 2.707 20 0 DFADMP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647193046 431506098 /nfs/dbraw/zinc/50/60/98/431506098.db2.gz JGBBEGALXOUWNH-IPMKNSEASA-N 2 1 312.457 2.710 20 0 DFADMP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647193046 431506103 /nfs/dbraw/zinc/50/61/03/431506103.db2.gz JGBBEGALXOUWNH-IPMKNSEASA-N 2 1 312.457 2.710 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCCOC1 ZINC000647344655 431559938 /nfs/dbraw/zinc/55/99/38/431559938.db2.gz WIKQACFJHMQCOZ-AITUJVMLSA-N 2 1 302.462 2.737 20 0 DFADMP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000647284229 431536317 /nfs/dbraw/zinc/53/63/17/431536317.db2.gz IJUGJBMPIMQOKL-PKOBYXMFSA-N 2 1 320.477 2.829 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660674559 431545193 /nfs/dbraw/zinc/54/51/93/431545193.db2.gz ANVNSYDBCUIBMM-LJQANCHMSA-N 2 1 301.478 2.725 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000647314073 431547589 /nfs/dbraw/zinc/54/75/89/431547589.db2.gz MIPRQUQGLSCNGW-TUVASFSCSA-N 2 1 306.475 2.858 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C(=O)NCc1cccs1 ZINC000647332898 431552041 /nfs/dbraw/zinc/55/20/41/431552041.db2.gz HFXODPGCBZRNKK-MRXNPFEDSA-N 2 1 323.506 2.605 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000247210764 288197722 /nfs/dbraw/zinc/19/77/22/288197722.db2.gz LZBAIBSYKBZRDA-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000247210764 288197724 /nfs/dbraw/zinc/19/77/24/288197724.db2.gz LZBAIBSYKBZRDA-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC)cc1 ZINC000128367801 280186970 /nfs/dbraw/zinc/18/69/70/280186970.db2.gz GQUQHCCBQWIRSL-LJQANCHMSA-N 2 1 319.493 2.764 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480231 431602407 /nfs/dbraw/zinc/60/24/07/431602407.db2.gz HICRTRFWDQYILF-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480690 431602851 /nfs/dbraw/zinc/60/28/51/431602851.db2.gz XJVPKELEKRWDMR-YOEHRIQHSA-N 2 1 304.482 2.509 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480690 431602856 /nfs/dbraw/zinc/60/28/56/431602856.db2.gz XJVPKELEKRWDMR-YOEHRIQHSA-N 2 1 304.482 2.509 20 0 DFADMP COc1cccc([C@H]2C[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660755388 431581200 /nfs/dbraw/zinc/58/12/00/431581200.db2.gz OWXSMEDQLNHESQ-KZNAEPCWSA-N 2 1 320.477 2.574 20 0 DFADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660755388 431581207 /nfs/dbraw/zinc/58/12/07/431581207.db2.gz OWXSMEDQLNHESQ-KZNAEPCWSA-N 2 1 320.477 2.574 20 0 DFADMP COc1cccc([C@H]2C[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660755388 431581211 /nfs/dbraw/zinc/58/12/11/431581211.db2.gz OWXSMEDQLNHESQ-KZNAEPCWSA-N 2 1 320.477 2.574 20 0 DFADMP COc1cccc([C@H]2C[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660755388 431581217 /nfs/dbraw/zinc/58/12/17/431581217.db2.gz OWXSMEDQLNHESQ-KZNAEPCWSA-N 2 1 320.477 2.574 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000653937876 431592116 /nfs/dbraw/zinc/59/21/16/431592116.db2.gz JNYBVHHIISSLSJ-DLBZAZTESA-N 2 1 301.434 2.658 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCCC[N@H+]3C)ccc21 ZINC000653937876 431592120 /nfs/dbraw/zinc/59/21/20/431592120.db2.gz JNYBVHHIISSLSJ-DLBZAZTESA-N 2 1 301.434 2.658 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650705225 431652306 /nfs/dbraw/zinc/65/23/06/431652306.db2.gz ABFMFKBZSVBVAE-JENIJYKNSA-N 2 1 318.461 2.722 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705917 431652868 /nfs/dbraw/zinc/65/28/68/431652868.db2.gz AFCZMQXJBMPISU-SZMVWBNQSA-N 2 1 306.425 2.852 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC000650707081 431653234 /nfs/dbraw/zinc/65/32/34/431653234.db2.gz YDBQHQPLNPAWRU-JZXOWHBKSA-N 2 1 306.425 2.852 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc2n(n1)CCC2 ZINC000657297983 431656445 /nfs/dbraw/zinc/65/64/45/431656445.db2.gz RRPYDPBHASWGHC-UHFFFAOYSA-N 2 1 312.461 2.961 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@@H]1CC[NH3+] ZINC000650711151 431657129 /nfs/dbraw/zinc/65/71/29/431657129.db2.gz KASFSVDZVASFQO-KBXCAEBGSA-N 2 1 316.424 2.961 20 0 DFADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)s1 ZINC000650708433 431657228 /nfs/dbraw/zinc/65/72/28/431657228.db2.gz ZLJPRUSDMOOZSK-RRFJBIMHSA-N 2 1 323.506 2.985 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708376 431658140 /nfs/dbraw/zinc/65/81/40/431658140.db2.gz YVLJAXUVBKGGDA-JCGIZDLHSA-N 2 1 306.425 2.852 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2cnc([C@H]3CCCO3)s2)[C@@H]1CC[NH3+] ZINC000650711589 431659954 /nfs/dbraw/zinc/65/99/54/431659954.db2.gz YJHZMGFTWHKLRO-BPLDGKMQSA-N 2 1 309.479 2.944 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cnc([C@H]3CCCO3)s2)[C@@H]1CC[NH3+] ZINC000650711589 431659963 /nfs/dbraw/zinc/65/99/63/431659963.db2.gz YJHZMGFTWHKLRO-BPLDGKMQSA-N 2 1 309.479 2.944 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1C[NH3+] ZINC000650714615 431660172 /nfs/dbraw/zinc/66/01/72/431660172.db2.gz SEIHOSQLSBSEEX-IAQYHMDHSA-N 2 1 308.809 2.882 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2c(Cl)oc3ccccc32)C[C@H]1C[NH3+] ZINC000650714615 431660178 /nfs/dbraw/zinc/66/01/78/431660178.db2.gz SEIHOSQLSBSEEX-IAQYHMDHSA-N 2 1 308.809 2.882 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000660805245 431605227 /nfs/dbraw/zinc/60/52/27/431605227.db2.gz YWOGBLFFRKHGAF-MOPGFXCFSA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000660805245 431605233 /nfs/dbraw/zinc/60/52/33/431605233.db2.gz YWOGBLFFRKHGAF-MOPGFXCFSA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000660805245 431605240 /nfs/dbraw/zinc/60/52/40/431605240.db2.gz YWOGBLFFRKHGAF-MOPGFXCFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@H]1[NH3+] ZINC000647497851 431605699 /nfs/dbraw/zinc/60/56/99/431605699.db2.gz YECWHQLCMVGTCN-IUODEOHRSA-N 2 1 304.463 2.708 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)CC[C@H]1[NH3+] ZINC000647498190 431606018 /nfs/dbraw/zinc/60/60/18/431606018.db2.gz CGSDJXCXXIPJTD-SUMWQHHRSA-N 2 1 314.433 2.645 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)o1 ZINC000647496492 431606240 /nfs/dbraw/zinc/60/62/40/431606240.db2.gz LFVDFNOTKWRRAL-KGLIPLIRSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@@H]1[NH3+] ZINC000647497748 431606905 /nfs/dbraw/zinc/60/69/05/431606905.db2.gz TWIRIQFQIJKDHD-BEFAXECRSA-N 2 1 312.461 2.955 20 0 DFADMP CCc1noc(C2CCC([NH2+]CC[C@H]3CCC[N@@H+](C)C3)CC2)n1 ZINC000657182651 431619793 /nfs/dbraw/zinc/61/97/93/431619793.db2.gz GICMYPBWOKZTEW-QQFBHYJXSA-N 2 1 320.481 2.980 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660835702 431620998 /nfs/dbraw/zinc/62/09/98/431620998.db2.gz YAOUPPBARNJWTN-BCDXTJNWSA-N 2 1 305.510 2.525 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)CC1 ZINC000660833961 431621068 /nfs/dbraw/zinc/62/10/68/431621068.db2.gz JTEBZUHOXFQIEW-CEXWTWQISA-N 2 1 319.537 2.915 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC000647542719 431621442 /nfs/dbraw/zinc/62/14/42/431621442.db2.gz ANVBJMAMMXNFQR-IRXDYDNUSA-N 2 1 312.461 2.785 20 0 DFADMP Cc1cn2c(C[NH2+]CC[C@H]3CCC[N@H+](C)C3)c(C)nc2s1 ZINC000657189392 431622402 /nfs/dbraw/zinc/62/24/02/431622402.db2.gz PPIBCPOAGHPFBL-CQSZACIVSA-N 2 1 306.479 2.834 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)ccc21 ZINC000647542717 431622841 /nfs/dbraw/zinc/62/28/41/431622841.db2.gz ANVBJMAMMXNFQR-DLBZAZTESA-N 2 1 312.461 2.785 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647542987 431624116 /nfs/dbraw/zinc/62/41/16/431624116.db2.gz FWAQWLFMEYJMTG-IRXDYDNUSA-N 2 1 304.482 2.731 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543797 431624541 /nfs/dbraw/zinc/62/45/41/431624541.db2.gz SFEOHLBTTFVLSD-CVEARBPZSA-N 2 1 318.509 2.757 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543499 431625383 /nfs/dbraw/zinc/62/53/83/431625383.db2.gz OKLIQTOAZYFURT-IRXDYDNUSA-N 2 1 316.445 2.669 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543432 431625447 /nfs/dbraw/zinc/62/54/47/431625447.db2.gz NHBPVISWIHUEEV-JKSUJKDBSA-N 2 1 318.461 2.915 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543422 431625532 /nfs/dbraw/zinc/62/55/32/431625532.db2.gz NDZHTBXXEZKQLQ-HOTGVXAUSA-N 2 1 303.450 2.692 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544271 431626081 /nfs/dbraw/zinc/62/60/81/431626081.db2.gz YWOOGFMGRBLVND-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545709 431626285 /nfs/dbraw/zinc/62/62/85/431626285.db2.gz IOCITPNHYNKYEY-BRWVUGGUSA-N 2 1 300.446 2.874 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543957 431626387 /nfs/dbraw/zinc/62/63/87/431626387.db2.gz UVRMOJLXIYCFTA-CVEARBPZSA-N 2 1 303.450 2.692 20 0 DFADMP C[C@H]1C[NH2+]C[C@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000647549495 431628640 /nfs/dbraw/zinc/62/86/40/431628640.db2.gz DGVYQOZBTPXYEI-DGCLKSJQSA-N 2 1 302.340 2.715 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1F ZINC000660900483 431648409 /nfs/dbraw/zinc/64/84/09/431648409.db2.gz QOSIIYQVMHEPCW-IEBWSBKVSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1F ZINC000660900483 431648417 /nfs/dbraw/zinc/64/84/17/431648417.db2.gz QOSIIYQVMHEPCW-IEBWSBKVSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000660900483 431648421 /nfs/dbraw/zinc/64/84/21/431648421.db2.gz QOSIIYQVMHEPCW-IEBWSBKVSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000660900483 431648427 /nfs/dbraw/zinc/64/84/27/431648427.db2.gz QOSIIYQVMHEPCW-IEBWSBKVSA-N 2 1 322.468 2.924 20 0 DFADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000650720054 431665137 /nfs/dbraw/zinc/66/51/37/431665137.db2.gz DABHGECPOXZWPR-VQTJNVASSA-N 3 1 309.457 2.989 20 0 DFADMP C[NH2+]Cc1ccccc1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000650720054 431665143 /nfs/dbraw/zinc/66/51/43/431665143.db2.gz DABHGECPOXZWPR-VQTJNVASSA-N 2 1 309.457 2.989 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657308262 431665656 /nfs/dbraw/zinc/66/56/56/431665656.db2.gz PNEXVTBXGXSKNY-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722239 431665749 /nfs/dbraw/zinc/66/57/49/431665749.db2.gz NTPBTDYWUWWKIB-KBAYOESNSA-N 2 1 304.434 2.556 20 0 DFADMP COc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650721879 431665808 /nfs/dbraw/zinc/66/58/08/431665808.db2.gz FAHWYICYRCWSDP-JFIYKMOQSA-N 2 1 304.434 2.556 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000657318291 431673982 /nfs/dbraw/zinc/67/39/82/431673982.db2.gz ISJQDPDJBBWUAF-HNNXBMFYSA-N 2 1 317.433 2.785 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CO1 ZINC000657329027 431680847 /nfs/dbraw/zinc/68/08/47/431680847.db2.gz HLOIRVSHJWJDRJ-AYOQOUSVSA-N 2 1 318.461 2.564 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CO1 ZINC000657329027 431680853 /nfs/dbraw/zinc/68/08/53/431680853.db2.gz HLOIRVSHJWJDRJ-AYOQOUSVSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647785831 431684599 /nfs/dbraw/zinc/68/45/99/431684599.db2.gz FOLVOBORKSCCOO-MDMSPXHWSA-N 3 1 307.526 2.721 20 0 DFADMP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647785831 431684604 /nfs/dbraw/zinc/68/46/04/431684604.db2.gz FOLVOBORKSCCOO-MDMSPXHWSA-N 2 1 307.526 2.721 20 0 DFADMP C[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000647872328 431713402 /nfs/dbraw/zinc/71/34/02/431713402.db2.gz WNYRUPWWGBKWNU-MRXNPFEDSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000647793590 431690252 /nfs/dbraw/zinc/69/02/52/431690252.db2.gz BCAZZKCTDXBIPA-IGKNDFSCSA-N 3 1 305.510 2.617 20 0 DFADMP COCCC[NH+]1CCC([NH2+]Cc2cc3ccncc3s2)CC1 ZINC000657343137 431690386 /nfs/dbraw/zinc/69/03/86/431690386.db2.gz JIDOTDSBWJJEEO-UHFFFAOYSA-N 2 1 319.474 2.887 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(Cl)cc1F ZINC000664196220 431693101 /nfs/dbraw/zinc/69/31/01/431693101.db2.gz ICNPJCWOGZORFR-NSHDSACASA-N 2 1 302.825 2.558 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(Cl)cc1F ZINC000664196220 431693107 /nfs/dbraw/zinc/69/31/07/431693107.db2.gz ICNPJCWOGZORFR-NSHDSACASA-N 2 1 302.825 2.558 20 0 DFADMP CCCn1nccc1C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000657362809 431703204 /nfs/dbraw/zinc/70/32/04/431703204.db2.gz IRRBJOSSYIFBQL-FUHWJXTLSA-N 2 1 322.497 2.520 20 0 DFADMP CCCn1nccc1C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000657362809 431703209 /nfs/dbraw/zinc/70/32/09/431703209.db2.gz IRRBJOSSYIFBQL-FUHWJXTLSA-N 2 1 322.497 2.520 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@H+](C)CCC[NH3+] ZINC000647849108 431705837 /nfs/dbraw/zinc/70/58/37/431705837.db2.gz HTDNYCFTNKXAEO-LSDHHAIUSA-N 2 1 313.445 2.686 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc2ccccc2c1)[N@@H+](C)CCC[NH3+] ZINC000647849108 431705842 /nfs/dbraw/zinc/70/58/42/431705842.db2.gz HTDNYCFTNKXAEO-LSDHHAIUSA-N 2 1 313.445 2.686 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)C1 ZINC000650721878 431664043 /nfs/dbraw/zinc/66/40/43/431664043.db2.gz DZEXNHQUEYSAFI-XYPHTWIQSA-N 2 1 310.388 2.826 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000647912544 431727137 /nfs/dbraw/zinc/72/71/37/431727137.db2.gz MSCDZXPURPPAMN-MAUKXSAKSA-N 2 1 303.450 2.824 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647925136 431731863 /nfs/dbraw/zinc/73/18/63/431731863.db2.gz ONIHOACNSRQAOD-LBPRGKRZSA-N 2 1 305.372 2.944 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000647925136 431731868 /nfs/dbraw/zinc/73/18/68/431731868.db2.gz ONIHOACNSRQAOD-LBPRGKRZSA-N 2 1 305.372 2.944 20 0 DFADMP Cc1cc(N2CC[C@@H]([N@H+](C)CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000664364543 431752777 /nfs/dbraw/zinc/75/27/77/431752777.db2.gz SLYJNAITZSTAOG-GOSISDBHSA-N 2 1 310.445 2.847 20 0 DFADMP Cc1cc(N2CC[C@@H]([N@@H+](C)CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000664364543 431752781 /nfs/dbraw/zinc/75/27/81/431752781.db2.gz SLYJNAITZSTAOG-GOSISDBHSA-N 2 1 310.445 2.847 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977998 431761073 /nfs/dbraw/zinc/76/10/73/431761073.db2.gz KTYBLRFRNZYZGS-KBPBESRZSA-N 2 1 308.388 2.667 20 0 DFADMP c1coc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975838 431761465 /nfs/dbraw/zinc/76/14/65/431761465.db2.gz GPCQAMIODCIOKO-UONOGXRCSA-N 2 1 316.405 2.541 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975504 431761806 /nfs/dbraw/zinc/76/18/06/431761806.db2.gz BEEIFODCEWNYPY-VHDGCEQUSA-N 2 1 304.438 2.720 20 0 DFADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975732 431762000 /nfs/dbraw/zinc/76/20/00/431762000.db2.gz FJLPIKDCKYMDMZ-ZIAGYGMSSA-N 2 1 306.454 2.579 20 0 DFADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975732 431762007 /nfs/dbraw/zinc/76/20/07/431762007.db2.gz FJLPIKDCKYMDMZ-ZIAGYGMSSA-N 2 1 306.454 2.579 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976336 431762597 /nfs/dbraw/zinc/76/25/97/431762597.db2.gz NGNGIPLWKIOWAZ-SJORKVTESA-N 2 1 318.461 2.786 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976913 431762964 /nfs/dbraw/zinc/76/29/64/431762964.db2.gz VZVMBICPMBJRRL-ZACQAIPSSA-N 2 1 315.461 2.725 20 0 DFADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978283 431763083 /nfs/dbraw/zinc/76/30/83/431763083.db2.gz PIBJBXGVHOKFAM-RCCFBDPRSA-N 2 1 323.525 2.591 20 0 DFADMP CCCCc1noc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976883 431763461 /nfs/dbraw/zinc/76/34/61/431763461.db2.gz VSCOMDOLDAWVEC-GJZGRUSLSA-N 2 1 306.454 2.624 20 0 DFADMP COc1ccc(C[N@@H+](C)CCCC2CC[NH2+]CC2)cc1OC ZINC000647870923 431714442 /nfs/dbraw/zinc/71/44/42/431714442.db2.gz NNTYIHLNJZTAAJ-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657386081 431717475 /nfs/dbraw/zinc/71/74/75/431717475.db2.gz AMTFIDUXTRFWAX-QFBILLFUSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657386081 431717477 /nfs/dbraw/zinc/71/74/77/431717477.db2.gz AMTFIDUXTRFWAX-QFBILLFUSA-N 2 1 324.472 2.830 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000647909346 431722992 /nfs/dbraw/zinc/72/29/92/431722992.db2.gz DTXIHIBJCSXCTH-UHFFFAOYSA-N 2 1 320.477 2.719 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000647906368 431723382 /nfs/dbraw/zinc/72/33/82/431723382.db2.gz XKNVIPABIMJNLF-UHFFFAOYSA-N 2 1 316.424 2.833 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(F)cc1 ZINC000647900939 431723605 /nfs/dbraw/zinc/72/36/05/431723605.db2.gz HVJJYBMWPINBTJ-RHSMWYFYSA-N 2 1 319.424 2.618 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccn(-c4cccc(F)c4)n3)C[C@H]21 ZINC000647907756 431723708 /nfs/dbraw/zinc/72/37/08/431723708.db2.gz PGNZIPWDNZXZMF-MORSLUCNSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4cccc(F)c4)n3)C[C@H]21 ZINC000647907756 431723715 /nfs/dbraw/zinc/72/37/15/431723715.db2.gz PGNZIPWDNZXZMF-MORSLUCNSA-N 2 1 314.408 2.571 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000657509455 431794724 /nfs/dbraw/zinc/79/47/24/431794724.db2.gz GYJUTOYSFGKWRC-FJIDUMEYSA-N 2 1 318.465 2.510 20 0 DFADMP COc1ccccc1/C=C/C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071680 431807825 /nfs/dbraw/zinc/80/78/25/431807825.db2.gz OJVIAPKGVSOQDU-FNORWQNLSA-N 2 1 316.445 2.505 20 0 DFADMP COc1ccccc1/C=C/C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071680 431807830 /nfs/dbraw/zinc/80/78/30/431807830.db2.gz OJVIAPKGVSOQDU-FNORWQNLSA-N 2 1 316.445 2.505 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CC(C)(C)c1ccccc1)CCO2 ZINC000648072029 431808020 /nfs/dbraw/zinc/80/80/20/431808020.db2.gz HTEUWPZCJOUHOG-UHFFFAOYSA-N 2 1 302.462 2.761 20 0 DFADMP c1nnc([C@H]2CCC[N@H+](CCCC3CC[NH2+]CC3)C2)n1C1CC1 ZINC000647988467 431766172 /nfs/dbraw/zinc/76/61/72/431766172.db2.gz MVGGFQIAJGKXTN-INIZCTEOSA-N 2 1 317.481 2.572 20 0 DFADMP c1ccc(C[C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988764 431766971 /nfs/dbraw/zinc/76/69/71/431766971.db2.gz IHKBPCADIXDFIN-LJQANCHMSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1(CO)CC1 ZINC000657608118 431824530 /nfs/dbraw/zinc/82/45/30/431824530.db2.gz QPNFVDQXZJJGOD-SOLBZPMBSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1(CO)CC1 ZINC000657608118 431824532 /nfs/dbraw/zinc/82/45/32/431824532.db2.gz QPNFVDQXZJJGOD-SOLBZPMBSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657629084 431829040 /nfs/dbraw/zinc/82/90/40/431829040.db2.gz ZTOHCZUSFCHDIV-BFHYXJOUSA-N 2 1 310.388 2.949 20 0 DFADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000271136642 281304299 /nfs/dbraw/zinc/30/42/99/281304299.db2.gz NGKDDQHGYAEKQR-CRAIPNDOSA-N 2 1 302.462 2.980 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1F ZINC000153719018 289056600 /nfs/dbraw/zinc/05/66/00/289056600.db2.gz DFYJFXVQWOAKRZ-GDBMZVCRSA-N 2 1 324.440 2.722 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1C ZINC000363413398 289091175 /nfs/dbraw/zinc/09/11/75/289091175.db2.gz BTENVWWMFPSURF-RYRKJORJSA-N 2 1 315.461 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1C ZINC000363413398 289091176 /nfs/dbraw/zinc/09/11/76/289091176.db2.gz BTENVWWMFPSURF-RYRKJORJSA-N 2 1 315.461 2.623 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414289 289092136 /nfs/dbraw/zinc/09/21/36/289092136.db2.gz LVQWCZJZHASAEM-AOIWGVFYSA-N 2 1 323.440 2.857 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414289 289092139 /nfs/dbraw/zinc/09/21/39/289092139.db2.gz LVQWCZJZHASAEM-AOIWGVFYSA-N 2 1 323.440 2.857 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414289 289092143 /nfs/dbraw/zinc/09/21/43/289092143.db2.gz LVQWCZJZHASAEM-AOIWGVFYSA-N 2 1 323.440 2.857 20 0 DFADMP c1ccc(-c2nnc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)o2)cc1 ZINC000363416367 289092212 /nfs/dbraw/zinc/09/22/12/289092212.db2.gz ZZTPBNNIYWCGQU-ZACQAIPSSA-N 2 1 324.428 2.653 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](CC3CCOCC3)C[C@H]2[C@H]1c1ccccc1 ZINC000363426937 289094599 /nfs/dbraw/zinc/09/45/99/289094599.db2.gz JEMJOUQIRAZFFE-GUDVDZBRSA-N 2 1 300.446 2.648 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](CC3CCOCC3)C[C@H]2[C@H]1c1ccccc1 ZINC000363426937 289094602 /nfs/dbraw/zinc/09/46/02/289094602.db2.gz JEMJOUQIRAZFFE-GUDVDZBRSA-N 2 1 300.446 2.648 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](CC3CCOCC3)C[C@H]2[C@H]1c1ccccc1 ZINC000363426937 289094604 /nfs/dbraw/zinc/09/46/04/289094604.db2.gz JEMJOUQIRAZFFE-GUDVDZBRSA-N 2 1 300.446 2.648 20 0 DFADMP Cc1cc(NC(=O)N[C@@](C)(C[NH3+])CC(C)C)cn2cc[nH+]c12 ZINC000415756642 289131339 /nfs/dbraw/zinc/13/13/39/289131339.db2.gz MAMKGWBQPGLXPD-MRXNPFEDSA-N 2 1 303.410 2.528 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000262339772 289380645 /nfs/dbraw/zinc/38/06/45/289380645.db2.gz HTACOVOZXIGRFH-GJZGRUSLSA-N 2 1 315.461 2.855 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](CC[C@H]3CCOC3)C1)CCCC2 ZINC000437977101 297075907 /nfs/dbraw/zinc/07/59/07/297075907.db2.gz JAGVPGBXELBERP-JKSUJKDBSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC[C@H]3CCOC3)C1)CCCC2 ZINC000437977101 297075908 /nfs/dbraw/zinc/07/59/08/297075908.db2.gz JAGVPGBXELBERP-JKSUJKDBSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC[C@H]3CCOC3)C1)CCCC2 ZINC000437977101 297075910 /nfs/dbraw/zinc/07/59/10/297075910.db2.gz JAGVPGBXELBERP-JKSUJKDBSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000438089903 297079641 /nfs/dbraw/zinc/07/96/41/297079641.db2.gz SMNGMXWIQUEHLG-QGZVFWFLSA-N 2 1 302.462 2.976 20 0 DFADMP COc1ccc(C[N@@H+](CC2CC2)C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000261959796 295126337 /nfs/dbraw/zinc/12/63/37/295126337.db2.gz PCKAPSNUCZHCCB-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000319663097 295140482 /nfs/dbraw/zinc/14/04/82/295140482.db2.gz MGTNGKXFGMUCMM-GJZGRUSLSA-N 2 1 308.466 2.953 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000319663097 295140487 /nfs/dbraw/zinc/14/04/87/295140487.db2.gz MGTNGKXFGMUCMM-GJZGRUSLSA-N 2 1 308.466 2.953 20 0 DFADMP [NH3+][C@@H](C(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237823133 295293004 /nfs/dbraw/zinc/29/30/04/295293004.db2.gz VKWQYUTXIHSKGX-RTBURBONSA-N 2 1 323.440 2.640 20 0 DFADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154358073 295297908 /nfs/dbraw/zinc/29/79/08/295297908.db2.gz GAHIDXSLLKPTOA-IAGOWNOFSA-N 2 1 312.885 2.809 20 0 DFADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1(C)C ZINC000363685457 295434101 /nfs/dbraw/zinc/43/41/01/295434101.db2.gz IIAFAXVNVVCKHE-ARFHVFGLSA-N 2 1 305.466 2.875 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000438218152 297085190 /nfs/dbraw/zinc/08/51/90/297085190.db2.gz XWWOCRHVKHWNAE-OALUTQOASA-N 2 1 302.462 2.567 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000440053294 297143705 /nfs/dbraw/zinc/14/37/05/297143705.db2.gz MKIPUCONTWFTSH-UHFFFAOYSA-N 2 1 321.440 2.925 20 0 DFADMP CCC(C)(C)CC[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1 ZINC000440403306 297151903 /nfs/dbraw/zinc/15/19/03/297151903.db2.gz IXHCPKHZYIPSCO-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440624989 297159519 /nfs/dbraw/zinc/15/95/19/297159519.db2.gz JYRYFTVCRJKOLF-GFCCVEGCSA-N 2 1 318.387 2.886 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440624989 297159520 /nfs/dbraw/zinc/15/95/20/297159520.db2.gz JYRYFTVCRJKOLF-GFCCVEGCSA-N 2 1 318.387 2.886 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000441197782 297175218 /nfs/dbraw/zinc/17/52/18/297175218.db2.gz HZCCSNDBKCNGHD-UHFFFAOYSA-N 2 1 316.424 2.785 20 0 DFADMP CC[C@H](NC(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000442751644 297204352 /nfs/dbraw/zinc/20/43/52/297204352.db2.gz CSWBHISURHVUPH-XEZPLFJOSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H](NC(=O)C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000442751644 297204354 /nfs/dbraw/zinc/20/43/54/297204354.db2.gz CSWBHISURHVUPH-XEZPLFJOSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000442764702 297205155 /nfs/dbraw/zinc/20/51/55/297205155.db2.gz DAZRTAKFQNSISN-XUXIUFHCSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000442764702 297205157 /nfs/dbraw/zinc/20/51/57/297205157.db2.gz DAZRTAKFQNSISN-XUXIUFHCSA-N 2 1 323.868 2.575 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)n2)ccc1F ZINC000442780115 297205586 /nfs/dbraw/zinc/20/55/86/297205586.db2.gz NDWAIAJPXYPEFK-AGIUHOORSA-N 2 1 318.396 2.914 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@H](C[NH3+])C[C@H]3C)n2)ccc1F ZINC000442780115 297205588 /nfs/dbraw/zinc/20/55/88/297205588.db2.gz NDWAIAJPXYPEFK-AGIUHOORSA-N 2 1 318.396 2.914 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000442860010 297208287 /nfs/dbraw/zinc/20/82/87/297208287.db2.gz AZFMJIQYVSNZKV-QGZVFWFLSA-N 2 1 321.896 2.943 20 0 DFADMP CC(C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cn1 ZINC000442878430 297209027 /nfs/dbraw/zinc/20/90/27/297209027.db2.gz TZCTUXWKSXHASZ-KRWDZBQOSA-N 2 1 322.472 2.533 20 0 DFADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000442879572 297209349 /nfs/dbraw/zinc/20/93/49/297209349.db2.gz WVLHDXKROQHVMJ-QGZVFWFLSA-N 2 1 303.494 2.980 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057631 297214091 /nfs/dbraw/zinc/21/40/91/297214091.db2.gz HLAYBSNISUZPRH-QWHCGFSZSA-N 2 1 309.841 2.728 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000443064232 297214459 /nfs/dbraw/zinc/21/44/59/297214459.db2.gz XSAZAFPYCFUKOC-CYBMUJFWSA-N 2 1 309.841 2.729 20 0 DFADMP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443068431 297214709 /nfs/dbraw/zinc/21/47/09/297214709.db2.gz ICOBGTUZEJCNLE-SJORKVTESA-N 2 1 317.477 2.541 20 0 DFADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443066087 297214918 /nfs/dbraw/zinc/21/49/18/297214918.db2.gz DIXKBSLIFNHMIG-UONOGXRCSA-N 2 1 300.406 2.858 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443078670 297215661 /nfs/dbraw/zinc/21/56/61/297215661.db2.gz XIOYXOZKHMXSSC-HZPDHXFCSA-N 2 1 303.450 2.691 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(F)cc3)CC2)CC1 ZINC000445534827 297262308 /nfs/dbraw/zinc/26/23/08/297262308.db2.gz WNUUFQKPRIMZNX-UHFFFAOYSA-N 2 1 319.468 2.818 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC[N@H+]1C ZINC000152043199 297283420 /nfs/dbraw/zinc/28/34/20/297283420.db2.gz HJHZOTZQMJZFPK-QAPCUYQASA-N 2 1 320.452 2.946 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007940 297292665 /nfs/dbraw/zinc/29/26/65/297292665.db2.gz RVKSQZZWDRUIGZ-HZPDHXFCSA-N 2 1 318.465 2.523 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007940 297292667 /nfs/dbraw/zinc/29/26/67/297292667.db2.gz RVKSQZZWDRUIGZ-HZPDHXFCSA-N 2 1 318.465 2.523 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007940 297292669 /nfs/dbraw/zinc/29/26/69/297292669.db2.gz RVKSQZZWDRUIGZ-HZPDHXFCSA-N 2 1 318.465 2.523 20 0 DFADMP C[C@@H]1CC2(CCC2)C[NH+]1C[C@@H](O)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000447323777 297301219 /nfs/dbraw/zinc/30/12/19/297301219.db2.gz LAWNSNXMTWDDLE-BJWYYQGGSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)C[NH+]1CC2(CCC2)C[C@@H]1C ZINC000447323777 297301220 /nfs/dbraw/zinc/30/12/20/297301220.db2.gz LAWNSNXMTWDDLE-BJWYYQGGSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)C[NH+]1CC2(CCC2)C[C@@H]1C ZINC000447323777 297301222 /nfs/dbraw/zinc/30/12/22/297301222.db2.gz LAWNSNXMTWDDLE-BJWYYQGGSA-N 2 1 306.494 2.876 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1)C1CC1 ZINC000447506624 297305661 /nfs/dbraw/zinc/30/56/61/297305661.db2.gz DHGUVYKZAYXGLV-PBHICJAKSA-N 2 1 315.461 2.541 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3occc32)CC1 ZINC000447572440 297309038 /nfs/dbraw/zinc/30/90/38/297309038.db2.gz BWYHNSSQBRQXNZ-GVDBMIGSSA-N 2 1 304.434 2.624 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cccnc2o1 ZINC000449046840 297396977 /nfs/dbraw/zinc/39/69/77/297396977.db2.gz MCIAQGVOZLJDCQ-OIISXLGYSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cccnc2o1 ZINC000449046840 297396979 /nfs/dbraw/zinc/39/69/79/297396979.db2.gz MCIAQGVOZLJDCQ-OIISXLGYSA-N 2 1 315.417 2.511 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)[nH]c1C ZINC000449288403 297437326 /nfs/dbraw/zinc/43/73/26/297437326.db2.gz ZSOVYKFEXJIFGP-UHFFFAOYSA-N 2 1 321.465 2.711 20 0 DFADMP CCO[C@@H]1COC[C@H]1[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449719022 297519064 /nfs/dbraw/zinc/51/90/64/297519064.db2.gz GSFJVDQTXWLCMY-FSPWUOQZSA-N 2 1 315.417 2.635 20 0 DFADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000453053980 298057537 /nfs/dbraw/zinc/05/75/37/298057537.db2.gz BFOVALDXQRZIIH-DLBZAZTESA-N 2 1 312.498 2.815 20 0 DFADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@H]2C)CCOCC1 ZINC000453053983 298057730 /nfs/dbraw/zinc/05/77/30/298057730.db2.gz BFOVALDXQRZIIH-SJORKVTESA-N 2 1 312.498 2.815 20 0 DFADMP Cn1nccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453074359 298059777 /nfs/dbraw/zinc/05/97/77/298059777.db2.gz HMJPIOCYLLDGIQ-VAMGGRTRSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453074359 298059778 /nfs/dbraw/zinc/05/97/78/298059778.db2.gz HMJPIOCYLLDGIQ-VAMGGRTRSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453074359 298059780 /nfs/dbraw/zinc/05/97/80/298059780.db2.gz HMJPIOCYLLDGIQ-VAMGGRTRSA-N 2 1 324.472 2.953 20 0 DFADMP CCn1ccnc1[C@@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000453113828 298063365 /nfs/dbraw/zinc/06/33/65/298063365.db2.gz GFAIOVXMUVYPNT-OAHLLOKOSA-N 2 1 313.449 2.926 20 0 DFADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453216189 298071893 /nfs/dbraw/zinc/07/18/93/298071893.db2.gz GJCNVFKABDSKBU-IPMKNSEASA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453304180 298081586 /nfs/dbraw/zinc/08/15/86/298081586.db2.gz FHRBBKQJMNVVGZ-ABAIWWIYSA-N 2 1 300.805 2.788 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453304183 298081776 /nfs/dbraw/zinc/08/17/76/298081776.db2.gz FHRBBKQJMNVVGZ-XHDPSFHLSA-N 2 1 300.805 2.788 20 0 DFADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453350766 298085886 /nfs/dbraw/zinc/08/58/86/298085886.db2.gz FDGIVFKIWFECLX-CENDIDJXSA-N 2 1 314.473 2.790 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000453398312 298090042 /nfs/dbraw/zinc/09/00/42/298090042.db2.gz KMVJDNJVWXSCBD-SCLBCKFNSA-N 2 1 312.417 2.500 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@H](c1nnc[nH]1)C1CCCCC1)C1CC1 ZINC000453397469 298090098 /nfs/dbraw/zinc/09/00/98/298090098.db2.gz JMBTTXQVQAZITN-INIZCTEOSA-N 2 1 305.470 2.890 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000453419327 298092909 /nfs/dbraw/zinc/09/29/09/298092909.db2.gz YTSAPUZUSMUBDX-OAHLLOKOSA-N 2 1 317.477 2.913 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000453442231 298096302 /nfs/dbraw/zinc/09/63/02/298096302.db2.gz YCOHVYALHZRGAT-CQSZACIVSA-N 2 1 304.434 2.983 20 0 DFADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000454331084 298156924 /nfs/dbraw/zinc/15/69/24/298156924.db2.gz QMTWWIOGGJGCSY-QGZVFWFLSA-N 2 1 318.465 2.696 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000495997987 300004834 /nfs/dbraw/zinc/00/48/34/300004834.db2.gz KXBKNXHKIUXUJJ-ZNMIVQPWSA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000495997987 300004835 /nfs/dbraw/zinc/00/48/35/300004835.db2.gz KXBKNXHKIUXUJJ-ZNMIVQPWSA-N 2 1 315.502 2.997 20 0 DFADMP CC[N@H+](CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000496575059 300082241 /nfs/dbraw/zinc/08/22/41/300082241.db2.gz ZCZFOBCYTWFWIC-CQSZACIVSA-N 2 1 313.486 2.562 20 0 DFADMP CC[N@@H+](CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1)C(C)C ZINC000496575059 300082244 /nfs/dbraw/zinc/08/22/44/300082244.db2.gz ZCZFOBCYTWFWIC-CQSZACIVSA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+](CC)C[C@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497034087 300150435 /nfs/dbraw/zinc/15/04/35/300150435.db2.gz JNRBCZJRNJZTFY-KBPBESRZSA-N 2 1 313.486 2.562 20 0 DFADMP CCC(CC)C[N@@H+](CC)CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497219370 300179853 /nfs/dbraw/zinc/17/98/53/300179853.db2.gz GPKDPMSNOCOHPB-SFHVURJKSA-N 2 1 323.481 2.619 20 0 DFADMP CC[C@@H](C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000513479637 300257827 /nfs/dbraw/zinc/25/78/27/300257827.db2.gz PBWMXQVBKHZLSC-AZUAARDMSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1cc(NC(=O)C[N@H+]2CCC(C)(C)C2)ccc1C[NH+](C)C ZINC000514797820 300271921 /nfs/dbraw/zinc/27/19/21/300271921.db2.gz DSIWUOHOUUAOSF-UHFFFAOYSA-N 2 1 303.450 2.727 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000515643073 300316201 /nfs/dbraw/zinc/31/62/01/300316201.db2.gz YMOMGZGNONWBMG-SJLPKXTDSA-N 2 1 317.477 2.703 20 0 DFADMP C[N@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000517370837 300394276 /nfs/dbraw/zinc/39/42/76/300394276.db2.gz LOPYRJWOXQDAOZ-UHFFFAOYSA-N 2 1 300.450 2.950 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000517370837 300394279 /nfs/dbraw/zinc/39/42/79/300394279.db2.gz LOPYRJWOXQDAOZ-UHFFFAOYSA-N 2 1 300.450 2.950 20 0 DFADMP Cc1cccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000519761774 300475496 /nfs/dbraw/zinc/47/54/96/300475496.db2.gz FNWDFGSQRCGJFV-PKOBYXMFSA-N 2 1 309.413 2.736 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000521626704 300533172 /nfs/dbraw/zinc/53/31/72/300533172.db2.gz WLUOJSPJIWNXFE-QWRGUYRKSA-N 2 1 319.430 2.754 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000530176562 301025794 /nfs/dbraw/zinc/02/57/94/301025794.db2.gz CBLNAJXYHCKADV-NEWSRXKRSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530215201 301029985 /nfs/dbraw/zinc/02/99/85/301029985.db2.gz FCMQZSZNMZSVSD-QXAKKESOSA-N 2 1 313.489 2.771 20 0 DFADMP Cn1ccnc1C[N@@H+](CC1CC(C)(C)C1)[C@H]1CC12CC[NH2+]CC2 ZINC000530218323 301030389 /nfs/dbraw/zinc/03/03/89/301030389.db2.gz LVPRRIIVJLNDLL-INIZCTEOSA-N 2 1 316.493 2.800 20 0 DFADMP Cn1ccnc1C[N@@H+](CC1CC(C)(C)C1)[C@@H]1CC12CC[NH2+]CC2 ZINC000530218326 301030421 /nfs/dbraw/zinc/03/04/21/301030421.db2.gz LVPRRIIVJLNDLL-MRXNPFEDSA-N 2 1 316.493 2.800 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@@H]1CC[NH2+]C1 ZINC000530219505 301031081 /nfs/dbraw/zinc/03/10/81/301031081.db2.gz JIOQTQLQAACWLK-DTWKUNHWSA-N 2 1 319.193 2.815 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530224741 301031472 /nfs/dbraw/zinc/03/14/72/301031472.db2.gz XUVLVLXHPNFGFE-AMIZOPFISA-N 2 1 319.193 2.944 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC(F)F ZINC000531945245 301120646 /nfs/dbraw/zinc/12/06/46/301120646.db2.gz PBAUKEZNBSNDPY-DGCLKSJQSA-N 2 1 314.376 2.726 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980301 301123025 /nfs/dbraw/zinc/12/30/25/301123025.db2.gz WQOYPAGGSDPOQP-DVOMOZLQSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980301 301123027 /nfs/dbraw/zinc/12/30/27/301123027.db2.gz WQOYPAGGSDPOQP-DVOMOZLQSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235224 301138461 /nfs/dbraw/zinc/13/84/61/301138461.db2.gz RXNWSMQFCIIGRJ-XEZPLFJOSA-N 2 1 301.434 2.705 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235224 301138465 /nfs/dbraw/zinc/13/84/65/301138465.db2.gz RXNWSMQFCIIGRJ-XEZPLFJOSA-N 2 1 301.434 2.705 20 0 DFADMP CC[C@H](C)[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000532967390 301179612 /nfs/dbraw/zinc/17/96/12/301179612.db2.gz AWNGWRDNBIRVAJ-MAUKXSAKSA-N 2 1 321.509 2.630 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000533360041 301197939 /nfs/dbraw/zinc/19/79/39/301197939.db2.gz WEGXNRXLRAXBJT-UKRRQHHQSA-N 2 1 319.449 2.646 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000533360041 301197940 /nfs/dbraw/zinc/19/79/40/301197940.db2.gz WEGXNRXLRAXBJT-UKRRQHHQSA-N 2 1 319.449 2.646 20 0 DFADMP CCO[C@H](C)c1nc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cs1 ZINC000533865544 301215033 /nfs/dbraw/zinc/21/50/33/301215033.db2.gz QBBMOESODRYKGC-CHWSQXEVSA-N 2 1 320.462 2.964 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000534315371 301227812 /nfs/dbraw/zinc/22/78/12/301227812.db2.gz UXPZOQZCLWJXFN-UHFFFAOYSA-N 2 1 313.449 2.943 20 0 DFADMP CCCn1c(C)nnc1CN1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536535633 301276740 /nfs/dbraw/zinc/27/67/40/301276740.db2.gz OLHDJAWSPKESOI-UHFFFAOYSA-N 2 1 307.486 2.549 20 0 DFADMP CCCn1c(C)nnc1C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000536535633 301276744 /nfs/dbraw/zinc/27/67/44/301276744.db2.gz OLHDJAWSPKESOI-UHFFFAOYSA-N 2 1 307.486 2.549 20 0 DFADMP CCCn1c(C)nnc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000536535633 301276747 /nfs/dbraw/zinc/27/67/47/301276747.db2.gz OLHDJAWSPKESOI-UHFFFAOYSA-N 2 1 307.486 2.549 20 0 DFADMP C[NH+](CCCC[N@H+](C)C[C@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000536540544 301277726 /nfs/dbraw/zinc/27/77/26/301277726.db2.gz RLJCRMRGOGKSRB-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC1 ZINC000540988416 301380059 /nfs/dbraw/zinc/38/00/59/301380059.db2.gz LFIBUVNANQZTAP-RTBURBONSA-N 2 1 302.462 2.777 20 0 DFADMP C[C@@H](CCN[C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562958379 302017888 /nfs/dbraw/zinc/01/78/88/302017888.db2.gz CLPGEAWWINBIDX-LNLFQRSKSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562958379 302017889 /nfs/dbraw/zinc/01/78/89/302017889.db2.gz CLPGEAWWINBIDX-LNLFQRSKSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562958379 302017891 /nfs/dbraw/zinc/01/78/91/302017891.db2.gz CLPGEAWWINBIDX-LNLFQRSKSA-N 3 1 303.494 2.875 20 0 DFADMP CCOCc1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000563136182 302040340 /nfs/dbraw/zinc/04/03/40/302040340.db2.gz GBOLLMWUCYVQFY-IBGZPJMESA-N 2 1 318.461 2.807 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000563136182 302040341 /nfs/dbraw/zinc/04/03/41/302040341.db2.gz GBOLLMWUCYVQFY-IBGZPJMESA-N 2 1 318.461 2.807 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@H]3C)c2C1 ZINC000563203137 302048588 /nfs/dbraw/zinc/04/85/88/302048588.db2.gz OHAGAQGARSMBPH-HOCLYGCPSA-N 2 1 315.461 2.985 20 0 DFADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1(C)C ZINC000563269536 302056406 /nfs/dbraw/zinc/05/64/06/302056406.db2.gz VGJIAFZJBGDOJU-ZWKOTPCHSA-N 2 1 302.462 2.968 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000563275618 302057063 /nfs/dbraw/zinc/05/70/63/302057063.db2.gz PPGMMDFBAYQRLV-LLVKDONJSA-N 2 1 306.435 2.920 20 0 DFADMP C[C@@H](c1nc(-c2cccs2)no1)[NH+]1CCC(CC[NH3+])CC1 ZINC000563275619 302057066 /nfs/dbraw/zinc/05/70/66/302057066.db2.gz PPGMMDFBAYQRLV-NSHDSACASA-N 2 1 306.435 2.920 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000563361547 302066681 /nfs/dbraw/zinc/06/66/81/302066681.db2.gz LIPVRCLIXLHSRP-POHAHGRESA-N 2 1 302.462 2.915 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000563633105 302089878 /nfs/dbraw/zinc/08/98/78/302089878.db2.gz ZBIMVABMULJUPX-FHWLQOOXSA-N 2 1 304.478 2.957 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000563633105 302089881 /nfs/dbraw/zinc/08/98/81/302089881.db2.gz ZBIMVABMULJUPX-FHWLQOOXSA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000563633105 302089883 /nfs/dbraw/zinc/08/98/83/302089883.db2.gz ZBIMVABMULJUPX-FHWLQOOXSA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@H]1c1ccccc1 ZINC000563633105 302089884 /nfs/dbraw/zinc/08/98/84/302089884.db2.gz ZBIMVABMULJUPX-FHWLQOOXSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000564742283 302155975 /nfs/dbraw/zinc/15/59/75/302155975.db2.gz YBPTUXHOFGGWQH-RYUDHWBXSA-N 2 1 324.266 2.979 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000564843763 302163065 /nfs/dbraw/zinc/16/30/65/302163065.db2.gz FRYWLDGOMMVLTO-QZTJIDSGSA-N 2 1 320.477 2.528 20 0 DFADMP OC1(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000564868221 302166705 /nfs/dbraw/zinc/16/67/05/302166705.db2.gz DHYZVNAMYMXLMH-GOSISDBHSA-N 2 1 302.462 2.793 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000564956824 302176291 /nfs/dbraw/zinc/17/62/91/302176291.db2.gz WEBVWTJYXMCCRA-MSOLQXFVSA-N 2 1 317.477 2.847 20 0 DFADMP OC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000564958340 302176799 /nfs/dbraw/zinc/17/67/99/302176799.db2.gz GMBRYKBTPKUAMD-KRWDZBQOSA-N 2 1 300.446 2.688 20 0 DFADMP OC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000564958340 302176803 /nfs/dbraw/zinc/17/68/03/302176803.db2.gz GMBRYKBTPKUAMD-KRWDZBQOSA-N 2 1 300.446 2.688 20 0 DFADMP OCCCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564958069 302176991 /nfs/dbraw/zinc/17/69/91/302176991.db2.gz AIHLJBDWDAKNLP-GOSISDBHSA-N 2 1 302.462 2.936 20 0 DFADMP OCCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564958069 302176993 /nfs/dbraw/zinc/17/69/93/302176993.db2.gz AIHLJBDWDAKNLP-GOSISDBHSA-N 2 1 302.462 2.936 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CCCC[NH3+])cc1 ZINC000565889016 302246972 /nfs/dbraw/zinc/24/69/72/302246972.db2.gz IHJDTFRVZXAFGF-MRXNPFEDSA-N 2 1 317.477 2.806 20 0 DFADMP O[C@@H]1CCCC[C@H]1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000565898509 302248093 /nfs/dbraw/zinc/24/80/93/302248093.db2.gz RVOMBLHXCIMFJI-YTQUADARSA-N 2 1 317.477 2.577 20 0 DFADMP C[C@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000566289373 302274888 /nfs/dbraw/zinc/27/48/88/302274888.db2.gz STEWYZFSSRWLLT-NUJGCVRESA-N 2 1 317.477 2.846 20 0 DFADMP O[C@@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306612 302277805 /nfs/dbraw/zinc/27/78/05/302277805.db2.gz UFSXUGWQGYCMEP-YSTOQKLRSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@@H]1CCCC[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306612 302277808 /nfs/dbraw/zinc/27/78/08/302277808.db2.gz UFSXUGWQGYCMEP-YSTOQKLRSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@@H]1CCCC[C@@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306612 302277810 /nfs/dbraw/zinc/27/78/10/302277810.db2.gz UFSXUGWQGYCMEP-YSTOQKLRSA-N 2 1 314.473 2.601 20 0 DFADMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(Cl)c1 ZINC000566339103 302280858 /nfs/dbraw/zinc/28/08/58/302280858.db2.gz WRSYVJQXKQFLQA-UHFFFAOYSA-N 2 1 309.885 2.718 20 0 DFADMP Cc1ncccc1OC[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000566429368 302286080 /nfs/dbraw/zinc/28/60/80/302286080.db2.gz UACHPPVZOIIMBQ-KRWDZBQOSA-N 2 1 314.433 2.600 20 0 DFADMP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566429368 302286081 /nfs/dbraw/zinc/28/60/81/302286081.db2.gz UACHPPVZOIIMBQ-KRWDZBQOSA-N 2 1 314.433 2.600 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cc(F)cc(F)c1 ZINC000566615343 302298949 /nfs/dbraw/zinc/29/89/49/302298949.db2.gz JTCDAUCWJAHGQO-JKSUJKDBSA-N 2 1 323.387 2.510 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)Nc1cc(F)cc(F)c1 ZINC000566615343 302298950 /nfs/dbraw/zinc/29/89/50/302298950.db2.gz JTCDAUCWJAHGQO-JKSUJKDBSA-N 2 1 323.387 2.510 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccnc3ccccc23)CCCO1 ZINC000567010557 302328999 /nfs/dbraw/zinc/32/89/99/302328999.db2.gz QITXVGIDWFJSGY-INIZCTEOSA-N 2 1 313.445 2.825 20 0 DFADMP CO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000567064081 302332958 /nfs/dbraw/zinc/33/29/58/302332958.db2.gz TWUBXXWEDDIMMR-XLAORIBOSA-N 2 1 312.498 2.765 20 0 DFADMP CO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000567064081 302332959 /nfs/dbraw/zinc/33/29/59/302332959.db2.gz TWUBXXWEDDIMMR-XLAORIBOSA-N 2 1 312.498 2.765 20 0 DFADMP CO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000567064081 302332961 /nfs/dbraw/zinc/33/29/61/302332961.db2.gz TWUBXXWEDDIMMR-XLAORIBOSA-N 2 1 312.498 2.765 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000567263538 302345966 /nfs/dbraw/zinc/34/59/66/302345966.db2.gz DZXDFMOJIRUQQG-IBGZPJMESA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000567263538 302345969 /nfs/dbraw/zinc/34/59/69/302345969.db2.gz DZXDFMOJIRUQQG-IBGZPJMESA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000567263538 302345971 /nfs/dbraw/zinc/34/59/71/302345971.db2.gz DZXDFMOJIRUQQG-IBGZPJMESA-N 2 1 321.509 2.585 20 0 DFADMP COc1cc(F)c(CNC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000567358097 302353533 /nfs/dbraw/zinc/35/35/33/302353533.db2.gz BIKXGPZHYODQLO-GOOCMWNKSA-N 2 1 322.424 2.948 20 0 DFADMP COc1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC ZINC000567358097 302353535 /nfs/dbraw/zinc/35/35/35/302353535.db2.gz BIKXGPZHYODQLO-GOOCMWNKSA-N 2 1 322.424 2.948 20 0 DFADMP COc1cc(F)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000567358097 302353538 /nfs/dbraw/zinc/35/35/38/302353538.db2.gz BIKXGPZHYODQLO-GOOCMWNKSA-N 2 1 322.424 2.948 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC34CCC(CC3)C4)C2)CC1 ZINC000567440748 302358470 /nfs/dbraw/zinc/35/84/70/302358470.db2.gz HVAWDPQHJLUFBW-XBMUEBEBSA-N 2 1 305.510 2.667 20 0 DFADMP CC(C)c1ccc(CCC[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567689470 302379969 /nfs/dbraw/zinc/37/99/69/302379969.db2.gz KQMKFPVQWVKMTQ-LJQANCHMSA-N 2 1 304.478 2.787 20 0 DFADMP CC(C)c1ccc(CCC[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567689470 302379971 /nfs/dbraw/zinc/37/99/71/302379971.db2.gz KQMKFPVQWVKMTQ-LJQANCHMSA-N 2 1 304.478 2.787 20 0 DFADMP CCc1ccc(C(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567725965 302384597 /nfs/dbraw/zinc/38/45/97/302384597.db2.gz RVPMMFKZJITLCH-GOSISDBHSA-N 2 1 304.478 2.571 20 0 DFADMP CCc1ccc(C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567725965 302384600 /nfs/dbraw/zinc/38/46/00/302384600.db2.gz RVPMMFKZJITLCH-GOSISDBHSA-N 2 1 304.478 2.571 20 0 DFADMP CN(c1ccccc1)C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000570174023 302560168 /nfs/dbraw/zinc/56/01/68/302560168.db2.gz VRLVYVWSNVKBDM-UHFFFAOYSA-N 2 1 312.461 2.954 20 0 DFADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000570709418 302588719 /nfs/dbraw/zinc/58/87/19/302588719.db2.gz WQDSPRLQXBPWEW-SWLSCSKDSA-N 2 1 310.388 2.907 20 0 DFADMP C[C@H](C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1)c1ccccc1 ZINC000572165275 302647219 /nfs/dbraw/zinc/64/72/19/302647219.db2.gz QDGCFZWIHCOZQQ-MRXNPFEDSA-N 2 1 302.462 2.617 20 0 DFADMP CCOC(=O)C1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000182461544 316103476 /nfs/dbraw/zinc/10/34/76/316103476.db2.gz KQTQPKBKIRWIDV-IUDNXUCKSA-N 2 1 307.438 2.539 20 0 DFADMP C[C@H](CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000182918126 316123609 /nfs/dbraw/zinc/12/36/09/316123609.db2.gz AFMJVVWTXVHKMX-NCOADZHNSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@H]([NH2+]CCOCC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692512 316190148 /nfs/dbraw/zinc/19/01/48/316190148.db2.gz IOPNFCXSSKFLMO-STQMWFEESA-N 2 1 308.388 2.808 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185690679 316190430 /nfs/dbraw/zinc/19/04/30/316190430.db2.gz FKGQNGLYDMEGMS-OWCLPIDISA-N 2 1 321.509 2.676 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185690679 316190434 /nfs/dbraw/zinc/19/04/34/316190434.db2.gz FKGQNGLYDMEGMS-OWCLPIDISA-N 2 1 321.509 2.676 20 0 DFADMP CCC(C)(C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718340 316191386 /nfs/dbraw/zinc/19/13/86/316191386.db2.gz ASULZVWMZQGXIN-HUUCEWRRSA-N 2 1 309.498 2.534 20 0 DFADMP CCC(C)(C)NC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718340 316191389 /nfs/dbraw/zinc/19/13/89/316191389.db2.gz ASULZVWMZQGXIN-HUUCEWRRSA-N 2 1 309.498 2.534 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760217 316192167 /nfs/dbraw/zinc/19/21/67/316192167.db2.gz ZKTBVMFSBJNWJX-OWCLPIDISA-N 2 1 323.525 2.922 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760217 316192170 /nfs/dbraw/zinc/19/21/70/316192170.db2.gz ZKTBVMFSBJNWJX-OWCLPIDISA-N 2 1 323.525 2.922 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H](CNc1cc[nH+]cc1C(N)=O)C1CC1 ZINC000186416292 316200258 /nfs/dbraw/zinc/20/02/58/316200258.db2.gz IVFCBXBXTXBXMB-SFHVURJKSA-N 2 1 324.428 2.503 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000187351447 316208631 /nfs/dbraw/zinc/20/86/31/316208631.db2.gz WREQTUHKMZALIN-GOEBONIOSA-N 2 1 308.441 2.944 20 0 DFADMP O[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000299872854 316235287 /nfs/dbraw/zinc/23/52/87/316235287.db2.gz UDGXWKZNEAFUKZ-UAPYVXQJSA-N 2 1 302.462 2.587 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000336704705 316299808 /nfs/dbraw/zinc/29/98/08/316299808.db2.gz GUKZXMNAOKSLIG-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336704705 316299814 /nfs/dbraw/zinc/29/98/14/316299814.db2.gz GUKZXMNAOKSLIG-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336704705 316299820 /nfs/dbraw/zinc/29/98/20/316299820.db2.gz GUKZXMNAOKSLIG-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336704705 316299825 /nfs/dbraw/zinc/29/98/25/316299825.db2.gz GUKZXMNAOKSLIG-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000336704705 316299830 /nfs/dbraw/zinc/29/98/30/316299830.db2.gz GUKZXMNAOKSLIG-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337581871 316301916 /nfs/dbraw/zinc/30/19/16/316301916.db2.gz BTJRDKLBZCPCDE-OALUTQOASA-N 2 1 310.445 2.648 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337581871 316301923 /nfs/dbraw/zinc/30/19/23/316301923.db2.gz BTJRDKLBZCPCDE-OALUTQOASA-N 2 1 310.445 2.648 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)noc2C)[C@@H](C)C1 ZINC000346598440 316318796 /nfs/dbraw/zinc/31/87/96/316318796.db2.gz GABTYLNPFGUMNL-KBXCAEBGSA-N 2 1 323.481 2.561 20 0 DFADMP C[N@H+]1CC[C@H](c2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)C1 ZINC000350022759 316374112 /nfs/dbraw/zinc/37/41/12/316374112.db2.gz IZPQIAQGGQHZPV-INIZCTEOSA-N 2 1 312.417 2.752 20 0 DFADMP CCc1nc2c(s1)[C@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000360021774 316573528 /nfs/dbraw/zinc/57/35/28/316573528.db2.gz WOYYOTBKQYYCIS-NWDGAFQWSA-N 2 1 302.447 2.884 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414811123 316665237 /nfs/dbraw/zinc/66/52/37/316665237.db2.gz IZCMISDYLUCYLH-SJPCQFCGSA-N 2 1 310.445 2.862 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000449559528 317044812 /nfs/dbraw/zinc/04/48/12/317044812.db2.gz BWVAMNZSKYVHCC-KSAJCEOXSA-N 2 1 308.466 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450497399 317098527 /nfs/dbraw/zinc/09/85/27/317098527.db2.gz CDCTWYTYCUUSFJ-QXCFHYIPSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000450497399 317098530 /nfs/dbraw/zinc/09/85/30/317098530.db2.gz CDCTWYTYCUUSFJ-QXCFHYIPSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000450497399 317098532 /nfs/dbraw/zinc/09/85/32/317098532.db2.gz CDCTWYTYCUUSFJ-QXCFHYIPSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450500753 317099664 /nfs/dbraw/zinc/09/96/64/317099664.db2.gz LZEZPLZBXDJJLG-WDSOQIARSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450500753 317099666 /nfs/dbraw/zinc/09/96/66/317099666.db2.gz LZEZPLZBXDJJLG-WDSOQIARSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450500753 317099672 /nfs/dbraw/zinc/09/96/72/317099672.db2.gz LZEZPLZBXDJJLG-WDSOQIARSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000450504566 317101073 /nfs/dbraw/zinc/10/10/73/317101073.db2.gz YOFDQYDRPPHUMT-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000453203027 317168982 /nfs/dbraw/zinc/16/89/82/317168982.db2.gz DSZAAWQIZISEEX-QZTJIDSGSA-N 2 1 319.493 2.883 20 0 DFADMP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000453203027 317168985 /nfs/dbraw/zinc/16/89/85/317168985.db2.gz DSZAAWQIZISEEX-QZTJIDSGSA-N 2 1 319.493 2.883 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453383529 317181536 /nfs/dbraw/zinc/18/15/36/317181536.db2.gz SUPFKGCWWQBUQK-ZLPCBKJTSA-N 2 1 317.477 2.544 20 0 DFADMP Cc1cnc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000453394840 317183243 /nfs/dbraw/zinc/18/32/43/317183243.db2.gz HJGVBZYSJOJSLH-MJGOQNOKSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1cc(NC(=O)NC(C)(C)CCC[NH+](C)C)cn2cc[nH+]c12 ZINC000455621481 317210899 /nfs/dbraw/zinc/21/08/99/317210899.db2.gz KWUFSSWLKKISGF-UHFFFAOYSA-N 2 1 317.437 2.885 20 0 DFADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000458236531 317269423 /nfs/dbraw/zinc/26/94/23/317269423.db2.gz YJNXMWAYPQSZND-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000458236531 317269428 /nfs/dbraw/zinc/26/94/28/317269428.db2.gz YJNXMWAYPQSZND-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000458236531 317269430 /nfs/dbraw/zinc/26/94/30/317269430.db2.gz YJNXMWAYPQSZND-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP c1ccc(CCOCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000459391175 317325009 /nfs/dbraw/zinc/32/50/09/317325009.db2.gz OAOUSNXAWJFUQK-UHFFFAOYSA-N 2 1 302.462 2.852 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CCn1cccn1 ZINC000471835196 317337291 /nfs/dbraw/zinc/33/72/91/317337291.db2.gz UTUCBEBWTZCZPY-RBUKOAKNSA-N 2 1 312.461 2.555 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000487437667 317346381 /nfs/dbraw/zinc/34/63/81/317346381.db2.gz IRGIDGBAAINJOU-PBHICJAKSA-N 2 1 303.450 2.665 20 0 DFADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000488469973 317396033 /nfs/dbraw/zinc/39/60/33/317396033.db2.gz ZQRARQROZPUTGZ-CVEARBPZSA-N 2 1 312.523 2.751 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000514738828 317709040 /nfs/dbraw/zinc/70/90/40/317709040.db2.gz LAQVJVLLTARRMD-QZTJIDSGSA-N 2 1 319.493 2.767 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530225398 317777181 /nfs/dbraw/zinc/77/71/81/317777181.db2.gz ZGGXCYUGHSOEDQ-KCJUWKMLSA-N 2 1 319.193 2.944 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC2(O)CCCC2)cc1F ZINC000560414571 317898054 /nfs/dbraw/zinc/89/80/54/317898054.db2.gz XPWPMOJVHJZPTH-UHFFFAOYSA-N 2 1 303.381 2.715 20 0 DFADMP Cc1cnc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000574563257 318024439 /nfs/dbraw/zinc/02/44/39/318024439.db2.gz WMFMQJYCHHHKCC-RHSMWYFYSA-N 2 1 315.442 2.797 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cs1 ZINC000574572261 318025380 /nfs/dbraw/zinc/02/53/80/318025380.db2.gz LXFZFVNSRPJPJA-INIZCTEOSA-N 2 1 302.447 2.714 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cs1 ZINC000574572261 318025382 /nfs/dbraw/zinc/02/53/82/318025382.db2.gz LXFZFVNSRPJPJA-INIZCTEOSA-N 2 1 302.447 2.714 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000574703468 318034996 /nfs/dbraw/zinc/03/49/96/318034996.db2.gz NLFSZMXZXKWIBY-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000574703468 318034999 /nfs/dbraw/zinc/03/49/99/318034999.db2.gz NLFSZMXZXKWIBY-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000574703468 318035002 /nfs/dbraw/zinc/03/50/02/318035002.db2.gz NLFSZMXZXKWIBY-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1nn2c(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000574782091 318040461 /nfs/dbraw/zinc/04/04/61/318040461.db2.gz HCMNQJJYKDFWME-WCQYABFASA-N 2 1 321.494 2.700 20 0 DFADMP C[NH2+]C[C@](C)(O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000574994586 318055699 /nfs/dbraw/zinc/05/56/99/318055699.db2.gz AUFXKZMORIXLAT-CABCVRRESA-N 2 1 302.821 2.736 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000575243643 318071955 /nfs/dbraw/zinc/07/19/55/318071955.db2.gz UXWFFPMVEVCHIK-BBWFWOEESA-N 2 1 305.466 2.784 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000575243645 318072211 /nfs/dbraw/zinc/07/22/11/318072211.db2.gz UXWFFPMVEVCHIK-ULQDDVLXSA-N 2 1 305.466 2.784 20 0 DFADMP C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000575980142 318095701 /nfs/dbraw/zinc/09/57/01/318095701.db2.gz VISHYRVYNQUQBM-CABCVRRESA-N 2 1 305.441 2.904 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000575984660 318095889 /nfs/dbraw/zinc/09/58/89/318095889.db2.gz BRLASLJXOJMYOF-RDJZCZTQSA-N 2 1 317.477 2.559 20 0 DFADMP C[N@H+](CCC[NH3+])Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000575988793 318096466 /nfs/dbraw/zinc/09/64/66/318096466.db2.gz ZKUDAKFKBBKBMS-HNNXBMFYSA-N 2 1 312.841 2.678 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000575988793 318096467 /nfs/dbraw/zinc/09/64/67/318096467.db2.gz ZKUDAKFKBBKBMS-HNNXBMFYSA-N 2 1 312.841 2.678 20 0 DFADMP CC1(C[NH+]2CCN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000576433084 318125609 /nfs/dbraw/zinc/12/56/09/318125609.db2.gz WIGIRMWKMMNNAZ-LJQANCHMSA-N 2 1 313.489 2.679 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000576465420 318128306 /nfs/dbraw/zinc/12/83/06/318128306.db2.gz DZTPHASIAUOXDG-KURKYZTESA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000576465420 318128308 /nfs/dbraw/zinc/12/83/08/318128308.db2.gz DZTPHASIAUOXDG-KURKYZTESA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000577239751 318180726 /nfs/dbraw/zinc/18/07/26/318180726.db2.gz ZFHIUADLIMJENQ-MSOLQXFVSA-N 2 1 323.525 2.831 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454581 318193460 /nfs/dbraw/zinc/19/34/60/318193460.db2.gz NRJKOJKMFBTEHW-NZSAHSFTSA-N 2 1 304.478 2.815 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454581 318193462 /nfs/dbraw/zinc/19/34/62/318193462.db2.gz NRJKOJKMFBTEHW-NZSAHSFTSA-N 2 1 304.478 2.815 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454581 318193463 /nfs/dbraw/zinc/19/34/63/318193463.db2.gz NRJKOJKMFBTEHW-NZSAHSFTSA-N 2 1 304.478 2.815 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1nc(-c2ccncc2)cs1 ZINC000577840103 318220445 /nfs/dbraw/zinc/22/04/45/318220445.db2.gz KZHNEJGLNQCBII-FPMFFAJLSA-N 2 1 302.447 2.983 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000577949963 318227836 /nfs/dbraw/zinc/22/78/36/318227836.db2.gz MMDLQOAOYOFDSY-IMXKFXGHSA-N 2 1 303.450 2.910 20 0 DFADMP CCOCC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000578435960 318260606 /nfs/dbraw/zinc/26/06/06/318260606.db2.gz ZMTBXNRCIQPRHW-QFBILLFUSA-N 2 1 320.477 2.589 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618583 318273057 /nfs/dbraw/zinc/27/30/57/318273057.db2.gz HXGUAVGJIYASFX-AOIWGVFYSA-N 2 1 304.478 2.861 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000578638812 318275018 /nfs/dbraw/zinc/27/50/18/318275018.db2.gz IPDKPBHEOFWYBR-WCQYABFASA-N 2 1 302.340 2.939 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000578638812 318275020 /nfs/dbraw/zinc/27/50/20/318275020.db2.gz IPDKPBHEOFWYBR-WCQYABFASA-N 2 1 302.340 2.939 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)[C@H]1CCC[NH2+]C1 ZINC000578738459 318281562 /nfs/dbraw/zinc/28/15/62/318281562.db2.gz YJSFWIBJRGWDFG-WOPDTQHZSA-N 2 1 312.255 2.883 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000578783797 318285493 /nfs/dbraw/zinc/28/54/93/318285493.db2.gz MIOGMWMLBOKUHG-QAPCUYQASA-N 2 1 315.461 2.624 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000578783797 318285494 /nfs/dbraw/zinc/28/54/94/318285494.db2.gz MIOGMWMLBOKUHG-QAPCUYQASA-N 2 1 315.461 2.624 20 0 DFADMP Cc1noc(C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2ccccc2)n1 ZINC000578857555 318290271 /nfs/dbraw/zinc/29/02/71/318290271.db2.gz IIMFCIKAEUMAQU-WFVVYAPDSA-N 2 1 312.417 2.534 20 0 DFADMP C[C@@H]1COCC[N@@H+]1C1CCN(C/C=C\c2ccccc2)CC1 ZINC000578879421 318292263 /nfs/dbraw/zinc/29/22/63/318292263.db2.gz UPACTSLIEGEAEN-CTEOGUNLSA-N 2 1 300.446 2.885 20 0 DFADMP C[C@@H]1COCC[N@H+]1C1CCN(C/C=C\c2ccccc2)CC1 ZINC000578879421 318292265 /nfs/dbraw/zinc/29/22/65/318292265.db2.gz UPACTSLIEGEAEN-CTEOGUNLSA-N 2 1 300.446 2.885 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578981623 318299549 /nfs/dbraw/zinc/29/95/49/318299549.db2.gz PSCGQSYIIJUYGS-JUFRUHRKSA-N 2 1 302.462 2.756 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CC[C@H](c3nccn3C)C2)c1 ZINC000579254449 318318297 /nfs/dbraw/zinc/31/82/97/318318297.db2.gz JTCBDAKCPOREIQ-IMMZDGJCSA-N 2 1 312.417 2.717 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000579646984 318344317 /nfs/dbraw/zinc/34/43/17/318344317.db2.gz AWSFHCHNRDPFLC-KRWDZBQOSA-N 2 1 304.482 2.746 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000579646984 318344318 /nfs/dbraw/zinc/34/43/18/318344318.db2.gz AWSFHCHNRDPFLC-KRWDZBQOSA-N 2 1 304.482 2.746 20 0 DFADMP C[N@@H+](CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[NH+]2C)C1CCCCC1 ZINC000579661087 318344964 /nfs/dbraw/zinc/34/49/64/318344964.db2.gz KSKZUOOPENSPNX-ZNXRZULTSA-N 2 1 321.509 2.773 20 0 DFADMP C[NH+](CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)C1CCCCC1 ZINC000579661087 318344965 /nfs/dbraw/zinc/34/49/65/318344965.db2.gz KSKZUOOPENSPNX-ZNXRZULTSA-N 2 1 321.509 2.773 20 0 DFADMP C[NH+](CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)C1CCCCC1 ZINC000579661087 318344968 /nfs/dbraw/zinc/34/49/68/318344968.db2.gz KSKZUOOPENSPNX-ZNXRZULTSA-N 2 1 321.509 2.773 20 0 DFADMP CC[C@@H](O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579709699 318349242 /nfs/dbraw/zinc/34/92/42/318349242.db2.gz BEOKFHYGPSQFKW-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579709699 318349243 /nfs/dbraw/zinc/34/92/43/318349243.db2.gz BEOKFHYGPSQFKW-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP Cn1c2ccc(C[NH2+][C@H]3CCC[C@H]([NH+](C)C)C3)cc2sc1=O ZINC000192604192 323245112 /nfs/dbraw/zinc/24/51/12/323245112.db2.gz UOSVFRFPLYVRQS-KBPBESRZSA-N 2 1 319.474 2.562 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](C3CC3)C1)O[C@H](C)C2 ZINC000378911217 323287679 /nfs/dbraw/zinc/28/76/79/323287679.db2.gz IVXVTDBMBJEJRO-ZIAGYGMSSA-N 2 1 316.445 2.593 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)O[C@H](C)C2 ZINC000378911217 323287682 /nfs/dbraw/zinc/28/76/82/323287682.db2.gz IVXVTDBMBJEJRO-ZIAGYGMSSA-N 2 1 316.445 2.593 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000380894953 323293010 /nfs/dbraw/zinc/29/30/10/323293010.db2.gz BXZFMPITELPSSE-HNNXBMFYSA-N 2 1 322.453 2.571 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382719582 323301299 /nfs/dbraw/zinc/30/12/99/323301299.db2.gz KFBPHPZJVAUGHM-ICSRJNTNSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382719582 323301301 /nfs/dbraw/zinc/30/13/01/323301301.db2.gz KFBPHPZJVAUGHM-ICSRJNTNSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382719582 323301303 /nfs/dbraw/zinc/30/13/03/323301303.db2.gz KFBPHPZJVAUGHM-ICSRJNTNSA-N 3 1 315.505 2.830 20 0 DFADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382719582 323301305 /nfs/dbraw/zinc/30/13/05/323301305.db2.gz KFBPHPZJVAUGHM-ICSRJNTNSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1CCN(Cc2ccccc2)C1 ZINC000382719582 323301307 /nfs/dbraw/zinc/30/13/07/323301307.db2.gz KFBPHPZJVAUGHM-ICSRJNTNSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000386803424 323321413 /nfs/dbraw/zinc/32/14/13/323321413.db2.gz CDKXCSZHZLKKOE-ZWKOTPCHSA-N 2 1 301.478 2.758 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000386803424 323321415 /nfs/dbraw/zinc/32/14/15/323321415.db2.gz CDKXCSZHZLKKOE-ZWKOTPCHSA-N 2 1 301.478 2.758 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000387494153 323325644 /nfs/dbraw/zinc/32/56/44/323325644.db2.gz AZVXJSLAKOGOIW-NVXWUHKLSA-N 2 1 319.493 2.647 20 0 DFADMP C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCC(C)(C)CC1 ZINC000387913842 323328313 /nfs/dbraw/zinc/32/83/13/323328313.db2.gz NMFKKNVBTFQTNM-ROUUACIJSA-N 2 1 304.478 2.818 20 0 DFADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCC(C)(C)CC1 ZINC000387913842 323328316 /nfs/dbraw/zinc/32/83/16/323328316.db2.gz NMFKKNVBTFQTNM-ROUUACIJSA-N 2 1 304.478 2.818 20 0 DFADMP COc1cc(C[N@@H+](C)CC2CC[NH2+]CC2)ccc1OC(F)F ZINC000388094988 323328812 /nfs/dbraw/zinc/32/88/12/323328812.db2.gz VZELXBRDFLEPST-UHFFFAOYSA-N 2 1 314.376 2.728 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000389837579 323338130 /nfs/dbraw/zinc/33/81/30/323338130.db2.gz RAQYQBHDBARPOY-OKILXGFUSA-N 2 1 321.852 2.518 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000389837579 323338134 /nfs/dbraw/zinc/33/81/34/323338134.db2.gz RAQYQBHDBARPOY-OKILXGFUSA-N 2 1 321.852 2.518 20 0 DFADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C1)O[C@@H](C)C2 ZINC000391512670 323346574 /nfs/dbraw/zinc/34/65/74/323346574.db2.gz QOQPXIRWSWIBPZ-CLROSIBMSA-N 2 1 316.445 2.578 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345499 323373529 /nfs/dbraw/zinc/37/35/29/323373529.db2.gz KMAOGIQZMPUPEP-YESZJQIVSA-N 2 1 321.509 2.582 20 0 DFADMP [NH3+]CC(F)(F)CC(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000582673455 323715318 /nfs/dbraw/zinc/71/53/18/323715318.db2.gz GNCZVJAPLXYJKI-UHFFFAOYSA-N 2 1 311.376 2.595 20 0 DFADMP C[N@@H+](CCN1CC[NH+](Cc2ccccc2)CC1)CC1(C)CC1 ZINC000584437563 337325208 /nfs/dbraw/zinc/32/52/08/337325208.db2.gz NIOYJSHIKWMHQY-UHFFFAOYSA-N 2 1 301.478 2.536 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cncc(Br)c2)C1 ZINC000584540619 337359658 /nfs/dbraw/zinc/35/96/58/337359658.db2.gz GGCJHRDQARHWHO-NEPJUHHUSA-N 2 1 312.255 2.837 20 0 DFADMP COc1cccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)c1 ZINC000298151180 533720337 /nfs/dbraw/zinc/72/03/37/533720337.db2.gz HXDRUGXUWQQLET-MRXNPFEDSA-N 2 1 300.406 2.817 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000309697576 533893165 /nfs/dbraw/zinc/89/31/65/533893165.db2.gz FLABFVJRIGUMIV-QXAKKESOSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(C)(C)O)cc2)CCCO1 ZINC000295667337 533939542 /nfs/dbraw/zinc/93/95/42/533939542.db2.gz IVSJFGXLWLUGER-INIZCTEOSA-N 2 1 320.477 2.505 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)[C@@H](C)O1 ZINC000294722136 533952037 /nfs/dbraw/zinc/95/20/37/533952037.db2.gz BXYOFMOFIUMYTQ-FPAYPSAMSA-N 2 1 302.462 2.707 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cncc(Br)c1 ZINC000157336168 519817726 /nfs/dbraw/zinc/81/77/26/519817726.db2.gz MJHMVFDPACIITB-CYBMUJFWSA-N 2 1 300.244 2.649 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cncc(Br)c1 ZINC000157336168 519817727 /nfs/dbraw/zinc/81/77/27/519817727.db2.gz MJHMVFDPACIITB-CYBMUJFWSA-N 2 1 300.244 2.649 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000154547289 521068292 /nfs/dbraw/zinc/06/82/92/521068292.db2.gz SYAWWQIGIKCNJA-GDBMZVCRSA-N 2 1 323.506 2.594 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000154562051 521074254 /nfs/dbraw/zinc/07/42/54/521074254.db2.gz JONDZRHTQISKGS-WMLDXEAASA-N 2 1 319.449 2.536 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000366324713 523958291 /nfs/dbraw/zinc/95/82/91/523958291.db2.gz BAUJMTUHVAAOFL-XJKSGUPXSA-N 2 1 323.868 2.576 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000367616179 523988185 /nfs/dbraw/zinc/98/81/85/523988185.db2.gz LKJJSPCPCXGCAU-SLFFLAALSA-N 2 1 313.489 2.507 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000157591218 524097219 /nfs/dbraw/zinc/09/72/19/524097219.db2.gz YLYZLFMNWUXMJX-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000157591218 524097231 /nfs/dbraw/zinc/09/72/31/524097231.db2.gz YLYZLFMNWUXMJX-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000157591218 524097244 /nfs/dbraw/zinc/09/72/44/524097244.db2.gz YLYZLFMNWUXMJX-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP COc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000177322545 524153133 /nfs/dbraw/zinc/15/31/33/524153133.db2.gz RXORZUQGMLUISJ-DOTOQJQBSA-N 2 1 306.450 2.583 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000365967534 524385714 /nfs/dbraw/zinc/38/57/14/524385714.db2.gz GZVPFKTUOGCZBI-INIZCTEOSA-N 2 1 312.417 2.769 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1nccs1 ZINC000365046490 524498158 /nfs/dbraw/zinc/49/81/58/524498158.db2.gz VJZSJZJRJPNNOQ-QKPAOTATSA-N 2 1 323.506 2.726 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)CCn3cccn3)CC2)[nH+]1 ZINC000157837718 524540434 /nfs/dbraw/zinc/54/04/34/524540434.db2.gz WOCVDFSQGRFXFI-INIZCTEOSA-N 2 1 313.449 2.624 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000364886322 525018475 /nfs/dbraw/zinc/01/84/75/525018475.db2.gz SBPYWTATLCJNCB-CJNGLKHVSA-N 2 1 322.416 2.675 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000364886322 525018481 /nfs/dbraw/zinc/01/84/81/525018481.db2.gz SBPYWTATLCJNCB-CJNGLKHVSA-N 2 1 322.416 2.675 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000364120512 525325363 /nfs/dbraw/zinc/32/53/63/525325363.db2.gz LMZQRUDTTHDXIX-NMLBUPMWSA-N 2 1 314.473 2.950 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000364120512 525325370 /nfs/dbraw/zinc/32/53/70/525325370.db2.gz LMZQRUDTTHDXIX-NMLBUPMWSA-N 2 1 314.473 2.950 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000358164001 536481877 /nfs/dbraw/zinc/48/18/77/536481877.db2.gz JDQUEDBIAWCYRD-IBGZPJMESA-N 2 1 312.413 2.635 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000358164001 536481880 /nfs/dbraw/zinc/48/18/80/536481880.db2.gz JDQUEDBIAWCYRD-IBGZPJMESA-N 2 1 312.413 2.635 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000367613175 527169775 /nfs/dbraw/zinc/16/97/75/527169775.db2.gz BRUNJJWXJUIQGG-LZLYRXPVSA-N 2 1 312.461 2.807 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000328297752 527886648 /nfs/dbraw/zinc/88/66/48/527886648.db2.gz WQVCEHPNWLUWGJ-VNTMZGSJSA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000328297752 527886652 /nfs/dbraw/zinc/88/66/52/527886652.db2.gz WQVCEHPNWLUWGJ-VNTMZGSJSA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000328297752 527886654 /nfs/dbraw/zinc/88/66/54/527886654.db2.gz WQVCEHPNWLUWGJ-VNTMZGSJSA-N 2 1 313.489 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000328297752 527886658 /nfs/dbraw/zinc/88/66/58/527886658.db2.gz WQVCEHPNWLUWGJ-VNTMZGSJSA-N 2 1 313.489 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000328297752 527886661 /nfs/dbraw/zinc/88/66/61/527886661.db2.gz WQVCEHPNWLUWGJ-VNTMZGSJSA-N 2 1 313.489 2.581 20 0 DFADMP CC(C)CNC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309661881 528030130 /nfs/dbraw/zinc/03/01/30/528030130.db2.gz MQBSTKGBKISVET-GOSISDBHSA-N 2 1 302.466 2.669 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCCCC2 ZINC000305805395 528141009 /nfs/dbraw/zinc/14/10/09/528141009.db2.gz ZAOBUACOCKOZNU-ROUUACIJSA-N 2 1 324.509 2.551 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000292875971 528195129 /nfs/dbraw/zinc/19/51/29/528195129.db2.gz SXYUEWGPARQCKD-GOSISDBHSA-N 2 1 308.441 2.535 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccncc2C)[C@H](C)C1 ZINC000294710739 528667723 /nfs/dbraw/zinc/66/77/23/528667723.db2.gz BIXPYHRZFMACEI-AEFFLSMTSA-N 2 1 305.466 2.617 20 0 DFADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000294708891 529158380 /nfs/dbraw/zinc/15/83/80/529158380.db2.gz JKEUGLLNVZFUPI-QGZVFWFLSA-N 2 1 302.418 2.776 20 0 DFADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248886123 535092962 /nfs/dbraw/zinc/09/29/62/535092962.db2.gz MCBIZNMAKSZKKG-RHQZKXFESA-N 2 1 314.473 2.931 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)NC2CCC(C)CC2)CC1 ZINC000173615264 535161577 /nfs/dbraw/zinc/16/15/77/535161577.db2.gz XBNACQWHHVGBHR-PCKAHOCUSA-N 2 1 309.498 2.532 20 0 DFADMP CCC[C@@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000362008973 535311346 /nfs/dbraw/zinc/31/13/46/535311346.db2.gz IVTIQFGOLURLJB-HOTGVXAUSA-N 2 1 320.481 2.728 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2C[C@@H]2c2ccccc2)C1 ZINC000361310529 535549252 /nfs/dbraw/zinc/54/92/52/535549252.db2.gz TUZLURCSAPJHPC-QRVBRYPASA-N 2 1 302.462 2.975 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1)C1CC1 ZINC000357466375 535782233 /nfs/dbraw/zinc/78/22/33/535782233.db2.gz AIQQOGZBUUJZBJ-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC[C@@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245663204 535812187 /nfs/dbraw/zinc/81/21/87/535812187.db2.gz GEZZYKZWBUGRKO-AKHDSKFASA-N 2 1 302.462 2.933 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262007105 536307290 /nfs/dbraw/zinc/30/72/90/536307290.db2.gz VYHDOGHYUCROJF-XYPWUTKMSA-N 2 1 321.852 2.883 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(CC[NH2+]C2)C1 ZINC000262030982 536479975 /nfs/dbraw/zinc/47/99/75/536479975.db2.gz OCGIXLLCLKKJJJ-FQEVSTJZSA-N 2 1 315.505 2.830 20 0 DFADMP COc1ccc(C[N@H+](CCc2ccccn2)CC(C)(C)[NH3+])cc1 ZINC000261983696 536858650 /nfs/dbraw/zinc/85/86/50/536858650.db2.gz RRKUTYZUVAJXIJ-UHFFFAOYSA-N 2 1 313.445 2.872 20 0 DFADMP COc1ccc(C[N@@H+](CCc2ccccn2)CC(C)(C)[NH3+])cc1 ZINC000261983696 536858660 /nfs/dbraw/zinc/85/86/60/536858660.db2.gz RRKUTYZUVAJXIJ-UHFFFAOYSA-N 2 1 313.445 2.872 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000262046177 536897840 /nfs/dbraw/zinc/89/78/40/536897840.db2.gz ZDWWCYHEFZPPJU-FVQBIDKESA-N 2 1 324.852 2.595 20 0 DFADMP CC[C@H](C(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1CC)[NH+](CC)CC ZINC000680868952 545555208 /nfs/dbraw/zinc/55/52/08/545555208.db2.gz BPQKYQVDAHXOBO-IXDOHACOSA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2c[nH]nc2-c2ccccc2F)C1 ZINC000680932857 545565679 /nfs/dbraw/zinc/56/56/79/545565679.db2.gz QBYKXEFHDGZKTC-BLLLJJGKSA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2c[nH]nc2-c2ccccc2F)C1 ZINC000680932857 545565682 /nfs/dbraw/zinc/56/56/82/545565682.db2.gz QBYKXEFHDGZKTC-BLLLJJGKSA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000680932720 545565951 /nfs/dbraw/zinc/56/59/51/545565951.db2.gz NIRBWZZNPOTOJM-CXAGYDPISA-N 2 1 314.433 2.515 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000680932720 545565952 /nfs/dbraw/zinc/56/59/52/545565952.db2.gz NIRBWZZNPOTOJM-CXAGYDPISA-N 2 1 314.433 2.515 20 0 DFADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000680939189 545567702 /nfs/dbraw/zinc/56/77/02/545567702.db2.gz JYRJDWLFVLRBRT-RCCFBDPRSA-N 2 1 324.509 2.812 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000681304966 545626248 /nfs/dbraw/zinc/62/62/48/545626248.db2.gz VNXGKEIKHWLKQF-BZUAXINKSA-N 2 1 309.498 2.628 20 0 DFADMP CC[C@]1(CO)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681755451 545717101 /nfs/dbraw/zinc/71/71/01/545717101.db2.gz VIBWBECWPAGFMM-IBGZPJMESA-N 2 1 320.477 2.612 20 0 DFADMP C[N@@H+](Cc1cnc(C2CC2)s1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914815 545750736 /nfs/dbraw/zinc/75/07/36/545750736.db2.gz OBZSKPIFJKZPLW-LBPRGKRZSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@H+](Cc1cnc(C2CC2)s1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914815 545750739 /nfs/dbraw/zinc/75/07/39/545750739.db2.gz OBZSKPIFJKZPLW-LBPRGKRZSA-N 2 1 302.447 2.911 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914891 545751181 /nfs/dbraw/zinc/75/11/81/545751181.db2.gz SWSUOWIEEXKBAL-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1nc2ccccn2c1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914891 545751185 /nfs/dbraw/zinc/75/11/85/545751185.db2.gz SWSUOWIEEXKBAL-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP C[C@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682409240 545842550 /nfs/dbraw/zinc/84/25/50/545842550.db2.gz LHLOGZZIFDUEET-GJYPPUQNSA-N 2 1 320.477 2.608 20 0 DFADMP C[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682671324 545893477 /nfs/dbraw/zinc/89/34/77/545893477.db2.gz HRPMEAIPUZGBLQ-IBGZPJMESA-N 2 1 318.461 2.508 20 0 DFADMP Cc1ccccc1CN1CCC[N@@H+](CC2CC[NH2+]CC2)CC1 ZINC000682704601 545901987 /nfs/dbraw/zinc/90/19/87/545901987.db2.gz URDSPZDRSBEUDC-UHFFFAOYSA-N 2 1 301.478 2.502 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@H](C(C)C)C2)o1 ZINC000683121690 545975238 /nfs/dbraw/zinc/97/52/38/545975238.db2.gz QDFJVAGBTOPFSN-INIZCTEOSA-N 2 1 321.465 2.534 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)o1 ZINC000683121690 545975241 /nfs/dbraw/zinc/97/52/41/545975241.db2.gz QDFJVAGBTOPFSN-INIZCTEOSA-N 2 1 321.465 2.534 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000683471976 546039982 /nfs/dbraw/zinc/03/99/82/546039982.db2.gz BMEBTZCELYYQOO-OAHLLOKOSA-N 2 1 315.417 2.643 20 0 DFADMP CCCN1CCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000683581994 546065313 /nfs/dbraw/zinc/06/53/13/546065313.db2.gz SXDBHJPBHUHBNQ-DKUMPPAJSA-N 2 1 304.438 2.957 20 0 DFADMP CCC[N@H+]1CCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC000683581994 546065318 /nfs/dbraw/zinc/06/53/18/546065318.db2.gz SXDBHJPBHUHBNQ-DKUMPPAJSA-N 2 1 304.438 2.957 20 0 DFADMP CCC[NH+]1CCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000683581994 546065322 /nfs/dbraw/zinc/06/53/22/546065322.db2.gz SXDBHJPBHUHBNQ-DKUMPPAJSA-N 2 1 304.438 2.957 20 0 DFADMP CCC[NH+]1CCC[C@H]1c1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000683581994 546065325 /nfs/dbraw/zinc/06/53/25/546065325.db2.gz SXDBHJPBHUHBNQ-DKUMPPAJSA-N 2 1 304.438 2.957 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683769369 546091640 /nfs/dbraw/zinc/09/16/40/546091640.db2.gz SNJPPBQSRKLGHJ-IBGZPJMESA-N 2 1 313.445 2.561 20 0 DFADMP C[N@@H+](Cc1scnc1C1CC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000683840035 546106156 /nfs/dbraw/zinc/10/61/56/546106156.db2.gz LWKSWHKQUFJSQF-GFCCVEGCSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@H+](Cc1scnc1C1CC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000683840035 546106159 /nfs/dbraw/zinc/10/61/59/546106159.db2.gz LWKSWHKQUFJSQF-GFCCVEGCSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000684163268 546161976 /nfs/dbraw/zinc/16/19/76/546161976.db2.gz JJSLYTQGRIZUMM-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000684163268 546161981 /nfs/dbraw/zinc/16/19/81/546161981.db2.gz JJSLYTQGRIZUMM-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000684163268 546161985 /nfs/dbraw/zinc/16/19/85/546161985.db2.gz JJSLYTQGRIZUMM-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000684366078 546201497 /nfs/dbraw/zinc/20/14/97/546201497.db2.gz IKDCGPKKSGGIKR-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1 ZINC000684375875 546203988 /nfs/dbraw/zinc/20/39/88/546203988.db2.gz CMSDZRCPGZLPAL-YESZJQIVSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)[C@@H](C)c1ccc(Cl)cc1 ZINC000684377885 546204970 /nfs/dbraw/zinc/20/49/70/546204970.db2.gz XKKVGTFCUPWONB-KGLIPLIRSA-N 2 1 310.869 2.878 20 0 DFADMP CCCc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000685042648 546323000 /nfs/dbraw/zinc/32/30/00/546323000.db2.gz JQAYHONUXWENJA-UHFFFAOYSA-N 2 1 303.494 2.755 20 0 DFADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685458038 546353565 /nfs/dbraw/zinc/35/35/65/546353565.db2.gz YROKZGRTRBSHRF-MRXNPFEDSA-N 2 1 321.534 2.911 20 0 DFADMP COc1cc(C)c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000685465393 546355966 /nfs/dbraw/zinc/35/59/66/546355966.db2.gz OOLSXQYDFHUGBE-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000685465393 546355972 /nfs/dbraw/zinc/35/59/72/546355972.db2.gz OOLSXQYDFHUGBE-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP CN(CCC[N@@H+](C)C/C=C\c1ccc(F)cc1)CC[NH+](C)C ZINC000685475854 546359043 /nfs/dbraw/zinc/35/90/43/546359043.db2.gz QNZVULFDQAXBQO-ALCCZGGFSA-N 2 1 307.457 2.654 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577464 546370178 /nfs/dbraw/zinc/37/01/78/546370178.db2.gz TZYJTDVSPJCSJZ-ZACQAIPSSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577464 546370183 /nfs/dbraw/zinc/37/01/83/546370183.db2.gz TZYJTDVSPJCSJZ-ZACQAIPSSA-N 2 1 305.466 2.973 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(F)nc2C)[C@@H](C)C1 ZINC000278312521 214082810 /nfs/dbraw/zinc/08/28/10/214082810.db2.gz DCVSOSKBMYQKGL-YOEHRIQHSA-N 2 1 323.456 2.756 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(F)nc2C)[C@@H](C)C1 ZINC000278312521 214082814 /nfs/dbraw/zinc/08/28/14/214082814.db2.gz DCVSOSKBMYQKGL-YOEHRIQHSA-N 2 1 323.456 2.756 20 0 DFADMP COc1ccccc1C[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278393158 214137448 /nfs/dbraw/zinc/13/74/48/214137448.db2.gz CYGOUUPOTLPZGZ-SJORKVTESA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccccc1C[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278393158 214137451 /nfs/dbraw/zinc/13/74/51/214137451.db2.gz CYGOUUPOTLPZGZ-SJORKVTESA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000278459497 214168142 /nfs/dbraw/zinc/16/81/42/214168142.db2.gz JAIMOMLZXPOBJS-LSDHHAIUSA-N 2 1 324.440 2.986 20 0 DFADMP COc1cc(OC)cc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181265039 199273508 /nfs/dbraw/zinc/27/35/08/199273508.db2.gz BHLZBYUXSIRBET-HUUCEWRRSA-N 2 1 322.449 2.545 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000278524403 214210715 /nfs/dbraw/zinc/21/07/15/214210715.db2.gz QSGZBAFTRMMXLU-GJZGRUSLSA-N 2 1 314.882 2.869 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1cc(F)cc(Cl)c1 ZINC000278628129 214285970 /nfs/dbraw/zinc/28/59/70/214285970.db2.gz FEEQGDZPXREFJZ-MRXNPFEDSA-N 2 1 323.799 2.763 20 0 DFADMP OC1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000305861045 231076476 /nfs/dbraw/zinc/07/64/76/231076476.db2.gz LUHLBRUZSLPQSK-AWUBQHKLSA-N 2 1 314.473 2.790 20 0 DFADMP OCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310010753 231109768 /nfs/dbraw/zinc/10/97/68/231109768.db2.gz KFEJAVSKPNNPAY-RTBURBONSA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310010753 231109770 /nfs/dbraw/zinc/10/97/70/231109770.db2.gz KFEJAVSKPNNPAY-RTBURBONSA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310010753 231109772 /nfs/dbraw/zinc/10/97/72/231109772.db2.gz KFEJAVSKPNNPAY-RTBURBONSA-N 2 1 302.462 2.603 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1F ZINC000278771416 214390360 /nfs/dbraw/zinc/39/03/60/214390360.db2.gz OVEYCZBKGVVRAT-HNNXBMFYSA-N 2 1 324.440 2.815 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000278771416 214390363 /nfs/dbraw/zinc/39/03/63/214390363.db2.gz OVEYCZBKGVVRAT-HNNXBMFYSA-N 2 1 324.440 2.815 20 0 DFADMP FC(F)(F)Sc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320557 185290967 /nfs/dbraw/zinc/29/09/67/185290967.db2.gz HDBOFAJHYLZMNB-TXEJJXNPSA-N 2 1 302.365 2.950 20 0 DFADMP FC(F)(F)Sc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000090320557 185290968 /nfs/dbraw/zinc/29/09/68/185290968.db2.gz HDBOFAJHYLZMNB-TXEJJXNPSA-N 2 1 302.365 2.950 20 0 DFADMP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000092560984 185326000 /nfs/dbraw/zinc/32/60/00/185326000.db2.gz DKAGQXZHPIPCLL-FHERZECASA-N 2 1 322.493 2.961 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)Cc3cncs3)CC2)nc(C)[nH+]1 ZINC000092644923 185331027 /nfs/dbraw/zinc/33/10/27/185331027.db2.gz BTEZAHIDPMMLSO-UHFFFAOYSA-N 2 1 317.462 2.651 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)Cc3cncs3)CC2)nc(C)[nH+]1 ZINC000092644923 185331028 /nfs/dbraw/zinc/33/10/28/185331028.db2.gz BTEZAHIDPMMLSO-UHFFFAOYSA-N 2 1 317.462 2.651 20 0 DFADMP CC[C@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+](C)C ZINC000413301396 295695393 /nfs/dbraw/zinc/69/53/93/295695393.db2.gz WBOWROIELRYCAZ-MRXNPFEDSA-N 2 1 321.490 2.514 20 0 DFADMP Cn1cncc1CC[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000459394317 299095178 /nfs/dbraw/zinc/09/51/78/299095178.db2.gz SLKYZONKEVSHKK-MRXNPFEDSA-N 2 1 305.809 2.769 20 0 DFADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccon1 ZINC000092821032 185343757 /nfs/dbraw/zinc/34/37/57/185343757.db2.gz BYFYCZVXUWINJA-UHFFFAOYSA-N 2 1 300.406 2.808 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccon1 ZINC000092821032 185343758 /nfs/dbraw/zinc/34/37/58/185343758.db2.gz BYFYCZVXUWINJA-UHFFFAOYSA-N 2 1 300.406 2.808 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459404715 299098541 /nfs/dbraw/zinc/09/85/41/299098541.db2.gz REWLFOSKAQJCTN-LJQANCHMSA-N 2 1 302.462 2.746 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000181470302 199301988 /nfs/dbraw/zinc/30/19/88/199301988.db2.gz SBHKUKJOQGFYPG-DOTOQJQBSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000181470302 199301990 /nfs/dbraw/zinc/30/19/90/199301990.db2.gz SBHKUKJOQGFYPG-DOTOQJQBSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)OCc2ccccc2)CC[NH+]1C ZINC000181470302 199301992 /nfs/dbraw/zinc/30/19/92/199301992.db2.gz SBHKUKJOQGFYPG-DOTOQJQBSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)OCc2ccccc2)CC[NH+]1C ZINC000181470302 199301994 /nfs/dbraw/zinc/30/19/94/199301994.db2.gz SBHKUKJOQGFYPG-DOTOQJQBSA-N 2 1 304.434 2.534 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCCO3)CC2)cc1 ZINC000272808284 210208640 /nfs/dbraw/zinc/20/86/40/210208640.db2.gz CBMUCHCAKPKEHD-IBGZPJMESA-N 2 1 320.452 2.991 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCC34CC4)CC2)nc(C)[nH+]1 ZINC000584731980 398404372 /nfs/dbraw/zinc/40/43/72/398404372.db2.gz KFQSCEGPWIXGGE-MRXNPFEDSA-N 2 1 300.450 2.985 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](CC(=O)OC(C)C)c1ccccc1 ZINC000272792288 210195299 /nfs/dbraw/zinc/19/52/99/210195299.db2.gz CHRILHJGIMZBDC-QGZVFWFLSA-N 2 1 315.417 2.864 20 0 DFADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491672 398433635 /nfs/dbraw/zinc/43/36/35/398433635.db2.gz GLJQQDWOIMKBIT-HZPDHXFCSA-N 2 1 316.445 2.685 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492189 398433792 /nfs/dbraw/zinc/43/37/92/398433792.db2.gz VMLTUYYFYROJDJ-DZKIICNBSA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592492189 398433796 /nfs/dbraw/zinc/43/37/96/398433796.db2.gz VMLTUYYFYROJDJ-DZKIICNBSA-N 2 1 322.474 2.674 20 0 DFADMP C[C@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000263234694 398434188 /nfs/dbraw/zinc/43/41/88/398434188.db2.gz DCPHCEGQEQAIGG-ZACQAIPSSA-N 2 1 323.525 2.639 20 0 DFADMP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@@H]2CCOC2)cc1 ZINC000459471326 299114729 /nfs/dbraw/zinc/11/47/29/299114729.db2.gz UWYFFRGFHPQZSE-APWZRJJASA-N 2 1 300.446 2.981 20 0 DFADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000596655711 398473074 /nfs/dbraw/zinc/47/30/74/398473074.db2.gz XNJXEKBVJOYBJC-SEXGHCQPSA-N 2 1 314.429 2.510 20 0 DFADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCC[C@@H]1O ZINC000364986971 282393384 /nfs/dbraw/zinc/39/33/84/282393384.db2.gz LLQYXADKPPCFLL-ROUUACIJSA-N 2 1 303.450 2.533 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cncc(F)c1 ZINC000090522737 398488491 /nfs/dbraw/zinc/48/84/91/398488491.db2.gz ZTAVMWMOIDEUNV-KKXDTOCCSA-N 2 1 321.440 2.639 20 0 DFADMP c1ccc(COc2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2)cc1 ZINC000302976556 398496082 /nfs/dbraw/zinc/49/60/82/398496082.db2.gz KRAQNKLTWYQCKD-RTBURBONSA-N 2 1 308.425 2.917 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911312 398497389 /nfs/dbraw/zinc/49/73/89/398497389.db2.gz SULWTAPPARYECR-FMKPAKJESA-N 2 1 314.433 2.770 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444617688 297241809 /nfs/dbraw/zinc/24/18/09/297241809.db2.gz RMDSIDMZUZXRAP-UHFFFAOYSA-N 2 1 323.506 2.662 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272704213 210108403 /nfs/dbraw/zinc/10/84/03/210108403.db2.gz ZSFIHSUQQRSDTA-QFHJOOASSA-N 2 1 304.478 2.894 20 0 DFADMP Cc1ccc(CCC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000181831420 199359199 /nfs/dbraw/zinc/35/91/99/199359199.db2.gz ZTPBQTVJOUGOJB-GOSISDBHSA-N 2 1 318.505 2.952 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000272681706 210085155 /nfs/dbraw/zinc/08/51/55/210085155.db2.gz NDUJZMLWGAPHQJ-FYQPLNBISA-N 2 1 314.473 2.913 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272674585 210078549 /nfs/dbraw/zinc/07/85/49/210078549.db2.gz QOFXJAMPHBLNSU-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272674585 210078551 /nfs/dbraw/zinc/07/85/51/210078551.db2.gz QOFXJAMPHBLNSU-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272674585 210078555 /nfs/dbraw/zinc/07/85/55/210078555.db2.gz QOFXJAMPHBLNSU-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272674585 210078558 /nfs/dbraw/zinc/07/85/58/210078558.db2.gz QOFXJAMPHBLNSU-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272674585 210078561 /nfs/dbraw/zinc/07/85/61/210078561.db2.gz QOFXJAMPHBLNSU-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000091334626 398525922 /nfs/dbraw/zinc/52/59/22/398525922.db2.gz DXBHWTRRPVRRIS-HUUCEWRRSA-N 2 1 318.383 2.915 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccn(C)n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414199467 295776995 /nfs/dbraw/zinc/77/69/95/295776995.db2.gz XFZNETFSQFFDHS-CABCVRRESA-N 2 1 316.449 2.772 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272612514 210014143 /nfs/dbraw/zinc/01/41/43/210014143.db2.gz WOBKMHWOVIVDIS-UJMXGEILSA-N 2 1 314.473 2.790 20 0 DFADMP CC(C)(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000597027565 398550844 /nfs/dbraw/zinc/55/08/44/398550844.db2.gz FFAVWLMWVXYGOD-CQSZACIVSA-N 2 1 319.449 2.773 20 0 DFADMP CC(C)(C)OC(=O)C[C@H]1CCCN(Cc2cnc3n2CCC3)C1 ZINC000597027565 398550847 /nfs/dbraw/zinc/55/08/47/398550847.db2.gz FFAVWLMWVXYGOD-CQSZACIVSA-N 2 1 319.449 2.773 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043447 398554883 /nfs/dbraw/zinc/55/48/83/398554883.db2.gz PBOWNSDKSYBVBV-NVXWUHKLSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043447 398554884 /nfs/dbraw/zinc/55/48/84/398554884.db2.gz PBOWNSDKSYBVBV-NVXWUHKLSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043447 398554885 /nfs/dbraw/zinc/55/48/85/398554885.db2.gz PBOWNSDKSYBVBV-NVXWUHKLSA-N 2 1 318.461 2.928 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000459632171 299151809 /nfs/dbraw/zinc/15/18/09/299151809.db2.gz LAHYAQVTCOMYFA-KDURUIRLSA-N 2 1 302.462 2.851 20 0 DFADMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746981 398562900 /nfs/dbraw/zinc/56/29/00/398562900.db2.gz SEMMCLPDUDZSNN-FUNVUKJBSA-N 2 1 308.809 2.784 20 0 DFADMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040746981 398562906 /nfs/dbraw/zinc/56/29/06/398562906.db2.gz SEMMCLPDUDZSNN-FUNVUKJBSA-N 2 1 308.809 2.784 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279818758 215172954 /nfs/dbraw/zinc/17/29/54/215172954.db2.gz YAXQGVRYVLYOOP-XLIONFOSSA-N 2 1 312.457 2.627 20 0 DFADMP CC(C)[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[NH+](C)C ZINC000279820347 215174319 /nfs/dbraw/zinc/17/43/19/215174319.db2.gz ABZVLHWTNCVOAK-OAHLLOKOSA-N 2 1 311.857 2.926 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000069754450 398582822 /nfs/dbraw/zinc/58/28/22/398582822.db2.gz BOUUWVJDFSFXFN-UHFFFAOYSA-N 2 1 307.401 2.828 20 0 DFADMP CSC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000590028586 398591721 /nfs/dbraw/zinc/59/17/21/398591721.db2.gz VCVAQKUOJPJGAN-QZTJIDSGSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000590028586 398591723 /nfs/dbraw/zinc/59/17/23/398591723.db2.gz VCVAQKUOJPJGAN-QZTJIDSGSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000590028586 398591725 /nfs/dbraw/zinc/59/17/25/398591725.db2.gz VCVAQKUOJPJGAN-QZTJIDSGSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000590028586 398591727 /nfs/dbraw/zinc/59/17/27/398591727.db2.gz VCVAQKUOJPJGAN-QZTJIDSGSA-N 2 1 322.518 2.554 20 0 DFADMP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+](C)CC1CCCCC1 ZINC000590125653 398598099 /nfs/dbraw/zinc/59/80/99/398598099.db2.gz ZKAGWSHGHBLIBX-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)[NH+](C)C)[C@H](C)C1 ZINC000133647461 186002741 /nfs/dbraw/zinc/00/27/41/186002741.db2.gz FBOUMTGUAIKONO-MNEFBYGVSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647461 186002742 /nfs/dbraw/zinc/00/27/42/186002742.db2.gz FBOUMTGUAIKONO-MNEFBYGVSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@H](C)C1 ZINC000133647461 186002743 /nfs/dbraw/zinc/00/27/43/186002743.db2.gz FBOUMTGUAIKONO-MNEFBYGVSA-N 2 1 319.493 2.618 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000092891481 398605217 /nfs/dbraw/zinc/60/52/17/398605217.db2.gz JXMNTXUEWDWSJE-UHFFFAOYSA-N 2 1 314.437 2.646 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC2CCC(C[NH+](C)C)CC2)n1 ZINC000092924124 398608099 /nfs/dbraw/zinc/60/80/99/398608099.db2.gz ZEVUEZOIBNYVTK-UHFFFAOYSA-N 2 1 314.437 2.503 20 0 DFADMP CC(C)n1cnnc1[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000093201868 398623953 /nfs/dbraw/zinc/62/39/53/398623953.db2.gz SWONOUOJXWTPAW-HOTGVXAUSA-N 2 1 305.470 2.523 20 0 DFADMP CC(C)n1cnnc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000093201868 398623954 /nfs/dbraw/zinc/62/39/54/398623954.db2.gz SWONOUOJXWTPAW-HOTGVXAUSA-N 2 1 305.470 2.523 20 0 DFADMP CC(C)n1cnnc1[C@H]1CCC[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000093201868 398623956 /nfs/dbraw/zinc/62/39/56/398623956.db2.gz SWONOUOJXWTPAW-HOTGVXAUSA-N 2 1 305.470 2.523 20 0 DFADMP CC[N@@H+](CC(=O)NCc1cccc(C[NH+](C)C(C)C)c1)C1CC1 ZINC000152430321 186071816 /nfs/dbraw/zinc/07/18/16/186071816.db2.gz QWHAVIQTSSMQDJ-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)Cc1ccccc1 ZINC000152546564 186083746 /nfs/dbraw/zinc/08/37/46/186083746.db2.gz QJKHCNMMJLSEMN-PKOBYXMFSA-N 2 1 304.478 2.692 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536703 398640998 /nfs/dbraw/zinc/64/09/98/398640998.db2.gz HSLZRMDBUFVKPQ-GUDVDZBRSA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536703 398641002 /nfs/dbraw/zinc/64/10/02/398641002.db2.gz HSLZRMDBUFVKPQ-GUDVDZBRSA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536703 398641006 /nfs/dbraw/zinc/64/10/06/398641006.db2.gz HSLZRMDBUFVKPQ-GUDVDZBRSA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093536703 398641009 /nfs/dbraw/zinc/64/10/09/398641009.db2.gz HSLZRMDBUFVKPQ-GUDVDZBRSA-N 2 1 322.456 2.993 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cncc(C)c2)CC1 ZINC000189982089 186258705 /nfs/dbraw/zinc/25/87/05/186258705.db2.gz NEDIFMCREXVBMJ-UHFFFAOYSA-N 2 1 319.493 2.960 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCn1cccn1 ZINC000189947557 186253202 /nfs/dbraw/zinc/25/32/02/186253202.db2.gz OYVUDLMUYIYRLX-JJTKIYQPSA-N 2 1 312.461 2.629 20 0 DFADMP OCC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000287193151 219371448 /nfs/dbraw/zinc/37/14/48/219371448.db2.gz VYQXGABPWLOBAR-IKGGRYGDSA-N 2 1 308.853 2.980 20 0 DFADMP OCC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000287193151 219371449 /nfs/dbraw/zinc/37/14/49/219371449.db2.gz VYQXGABPWLOBAR-IKGGRYGDSA-N 2 1 308.853 2.980 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000268753932 186379443 /nfs/dbraw/zinc/37/94/43/186379443.db2.gz WOJCLHJEWSYKHF-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758661 186381676 /nfs/dbraw/zinc/38/16/76/186381676.db2.gz GBTWHCWLMLXMPD-RYRKJORJSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758661 186381677 /nfs/dbraw/zinc/38/16/77/186381677.db2.gz GBTWHCWLMLXMPD-RYRKJORJSA-N 2 1 316.493 2.890 20 0 DFADMP COc1cc2c(c(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c1)O[C@@H](C)C2 ZINC000459731306 299175054 /nfs/dbraw/zinc/17/50/54/299175054.db2.gz LKFMWKKSRHVBLO-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)s1 ZINC000414804247 295820888 /nfs/dbraw/zinc/82/08/88/295820888.db2.gz OLUMNVBINBMTKE-BDAKNGLRSA-N 2 1 304.257 2.513 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)c(SC)cc1OC ZINC000414824391 295822649 /nfs/dbraw/zinc/82/26/49/295822649.db2.gz FLEYTBZMWPJQDP-LBPRGKRZSA-N 2 1 310.463 2.515 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]CC3([NH3+])CCCCC3)cnc21 ZINC000414833812 295823854 /nfs/dbraw/zinc/82/38/54/295823854.db2.gz AXZWCSZBOJIDKQ-UHFFFAOYSA-N 2 1 301.438 2.763 20 0 DFADMP [NH3+]C[C@H]([NH2+]C1CCN(c2ccccn2)CC1)C1CCCCC1 ZINC000414836736 295824267 /nfs/dbraw/zinc/82/42/67/295824267.db2.gz IZSBXMYHFJPAEM-KRWDZBQOSA-N 2 1 302.466 2.548 20 0 DFADMP COc1c(Br)cccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414845424 295825391 /nfs/dbraw/zinc/82/53/91/295825391.db2.gz DKLUJNVMKYUTMX-NSHDSACASA-N 2 1 313.239 2.547 20 0 DFADMP Cn1cc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(C2CCCCC2)n1 ZINC000414904399 295832819 /nfs/dbraw/zinc/83/28/19/295832819.db2.gz JYNBVPMSIYVAED-GOSISDBHSA-N 2 1 304.482 2.947 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414918263 295834783 /nfs/dbraw/zinc/83/47/83/295834783.db2.gz UCLMSLJEXNSPHI-CYBMUJFWSA-N 2 1 304.825 2.533 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414918264 295834830 /nfs/dbraw/zinc/83/48/30/295834830.db2.gz UCLMSLJEXNSPHI-ZDUSSCGKSA-N 2 1 304.825 2.533 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414932550 295836810 /nfs/dbraw/zinc/83/68/10/295836810.db2.gz CTWXFORYEBWVER-MFKMUULPSA-N 2 1 313.239 2.545 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091083 545595425 /nfs/dbraw/zinc/59/54/25/545595425.db2.gz XGNMXDZVYPLJIE-ODZFXCKXSA-N 2 1 324.415 2.503 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091083 545595426 /nfs/dbraw/zinc/59/54/26/545595426.db2.gz XGNMXDZVYPLJIE-ODZFXCKXSA-N 2 1 324.415 2.503 20 0 DFADMP CC1([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]CC1 ZINC000414936749 295837442 /nfs/dbraw/zinc/83/74/42/295837442.db2.gz GZYMQQCQHQCAKQ-UHFFFAOYSA-N 2 1 301.203 2.820 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(SC)cc1OC ZINC000414945684 295838580 /nfs/dbraw/zinc/83/85/80/295838580.db2.gz IQYQIBYOSOUPJN-WCQYABFASA-N 2 1 310.463 2.656 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000414960843 295841253 /nfs/dbraw/zinc/84/12/53/295841253.db2.gz YLGIIWAQYVNJEI-YPMHNXCESA-N 2 1 314.376 2.917 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786175 398673543 /nfs/dbraw/zinc/67/35/43/398673543.db2.gz FNWOJIBOVMPTGE-HNNXBMFYSA-N 2 1 311.514 2.732 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCCCC2)CC1 ZINC000590786829 398673794 /nfs/dbraw/zinc/67/37/94/398673794.db2.gz OAMSBUJZJXIPIR-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@@H]2C)CC1 ZINC000590786492 398674178 /nfs/dbraw/zinc/67/41/78/398674178.db2.gz FAYDWMLEQCMJJO-FUHWJXTLSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N[C@@H]2CCCC[C@H]2C)CC1 ZINC000590786493 398674373 /nfs/dbraw/zinc/67/43/73/398674373.db2.gz FAYDWMLEQCMJJO-SJLPKXTDSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122024779 282822777 /nfs/dbraw/zinc/82/27/77/282822777.db2.gz QOVJKAKWERGKJB-HOTGVXAUSA-N 2 1 323.481 2.649 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c(C)s1 ZINC000593734051 398678945 /nfs/dbraw/zinc/67/89/45/398678945.db2.gz SCLMNGSFAJVBQP-RISCZKNCSA-N 2 1 310.463 2.792 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277157648 213333388 /nfs/dbraw/zinc/33/33/88/213333388.db2.gz IZDBBMHKQHMCGI-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1C1CCC1 ZINC000102950149 398681595 /nfs/dbraw/zinc/68/15/95/398681595.db2.gz FEOYMSTXMQCWLJ-RBUKOAKNSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1C1CCC1 ZINC000102950149 398681599 /nfs/dbraw/zinc/68/15/99/398681599.db2.gz FEOYMSTXMQCWLJ-RBUKOAKNSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102950149 398681604 /nfs/dbraw/zinc/68/16/04/398681604.db2.gz FEOYMSTXMQCWLJ-RBUKOAKNSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000102950149 398681606 /nfs/dbraw/zinc/68/16/06/398681606.db2.gz FEOYMSTXMQCWLJ-RBUKOAKNSA-N 2 1 302.462 2.744 20 0 DFADMP COc1cc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c(-c2ccccc2)cc1OC ZINC000415031692 295849227 /nfs/dbraw/zinc/84/92/27/295849227.db2.gz GURPLUYDMSTOSO-YRWFTTLQSA-N 2 1 324.424 2.678 20 0 DFADMP c1ccc(Oc2cccc(C[NH2+]C[C@@H]3C[NH2+]CCCO3)c2)cc1 ZINC000415037890 295849998 /nfs/dbraw/zinc/84/99/98/295849998.db2.gz LMKFLHVKKFMLCO-IBGZPJMESA-N 2 1 312.413 2.947 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000459791026 299194124 /nfs/dbraw/zinc/19/41/24/299194124.db2.gz ROWJZDNXQVWOAT-QAPCUYQASA-N 2 1 302.462 2.874 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000173362698 198207784 /nfs/dbraw/zinc/20/77/84/198207784.db2.gz RWXLGCJWELRVOJ-CRAIPNDOSA-N 2 1 306.450 2.532 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000404365968 398691790 /nfs/dbraw/zinc/69/17/90/398691790.db2.gz HHXKYBNWHMTCPU-JSGCOSHPSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1[N+](=O)[O-] ZINC000404365968 398691792 /nfs/dbraw/zinc/69/17/92/398691792.db2.gz HHXKYBNWHMTCPU-JSGCOSHPSA-N 2 1 307.394 2.553 20 0 DFADMP Clc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)ccn1 ZINC000173951762 198271727 /nfs/dbraw/zinc/27/17/27/198271727.db2.gz DUKLSCFDOBEMOQ-UHFFFAOYSA-N 2 1 323.868 2.812 20 0 DFADMP CC(C)Oc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000105476494 398693844 /nfs/dbraw/zinc/69/38/44/398693844.db2.gz SJWWOPFQOBVQHB-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129100345 283002036 /nfs/dbraw/zinc/00/20/36/283002036.db2.gz FWQSPXCJQLFGCE-HLLBOEOZSA-N 2 1 307.457 2.970 20 0 DFADMP Cc1nccn1CCC[N@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000130440909 283049512 /nfs/dbraw/zinc/04/95/12/283049512.db2.gz OFSDWNFDWKQIMQ-UHFFFAOYSA-N 2 1 302.353 2.994 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2cc(F)ccc2o1 ZINC000130440909 283049518 /nfs/dbraw/zinc/04/95/18/283049518.db2.gz OFSDWNFDWKQIMQ-UHFFFAOYSA-N 2 1 302.353 2.994 20 0 DFADMP CCCCc1nc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2[nH]1 ZINC000130460830 283049819 /nfs/dbraw/zinc/04/98/19/283049819.db2.gz NMRUFGMOYPVFKP-GFCCVEGCSA-N 2 1 300.406 2.844 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000130732290 283059032 /nfs/dbraw/zinc/05/90/32/283059032.db2.gz UDNCWYJCOZCSQI-HNNXBMFYSA-N 2 1 308.470 2.547 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000130732290 283059035 /nfs/dbraw/zinc/05/90/35/283059035.db2.gz UDNCWYJCOZCSQI-HNNXBMFYSA-N 2 1 308.470 2.547 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130778665 283060433 /nfs/dbraw/zinc/06/04/33/283060433.db2.gz IIWNTOSGJUUVIS-UHFFFAOYSA-N 2 1 314.433 2.715 20 0 DFADMP CCc1ccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000130778665 283060436 /nfs/dbraw/zinc/06/04/36/283060436.db2.gz IIWNTOSGJUUVIS-UHFFFAOYSA-N 2 1 314.433 2.715 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000073458062 191318465 /nfs/dbraw/zinc/31/84/65/191318465.db2.gz HNGIVIBKMRMQNN-UHFFFAOYSA-N 2 1 302.340 2.812 20 0 DFADMP CCC[N@H+](CC(=O)N(CC)C1CCCCC1)C1CC[NH2+]CC1 ZINC000261603546 283090268 /nfs/dbraw/zinc/09/02/68/283090268.db2.gz CIMFBKOBNPGDGJ-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[N@@H+](CC(=O)N(CC)C1CCCCC1)C1CC[NH2+]CC1 ZINC000261603546 283090272 /nfs/dbraw/zinc/09/02/72/283090272.db2.gz CIMFBKOBNPGDGJ-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP COc1cc2c(cc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)O[C@H](C)C2 ZINC000132066780 283109238 /nfs/dbraw/zinc/10/92/38/283109238.db2.gz GROABNQIGXYUOE-SZOQZIPDSA-N 2 1 318.461 2.837 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)O[C@H](C)C2 ZINC000132066780 283109240 /nfs/dbraw/zinc/10/92/40/283109240.db2.gz GROABNQIGXYUOE-SZOQZIPDSA-N 2 1 318.461 2.837 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)O[C@H](C)C2 ZINC000132066780 283109241 /nfs/dbraw/zinc/10/92/41/283109241.db2.gz GROABNQIGXYUOE-SZOQZIPDSA-N 2 1 318.461 2.837 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](NCc2cccnc2C)[C@H](C)C1 ZINC000115628379 398754747 /nfs/dbraw/zinc/75/47/47/398754747.db2.gz OWUYXKGBAQMJNF-QAPCUYQASA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC000115628379 398754749 /nfs/dbraw/zinc/75/47/49/398754749.db2.gz OWUYXKGBAQMJNF-QAPCUYQASA-N 2 1 305.466 2.617 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(F)c2)CC1 ZINC000047977274 398766801 /nfs/dbraw/zinc/76/68/01/398766801.db2.gz VJSOVERHYSATHH-UHFFFAOYSA-N 2 1 321.440 2.818 20 0 DFADMP CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000133851215 283164354 /nfs/dbraw/zinc/16/43/54/283164354.db2.gz ZQUSJUIYOXUYFG-SNRMKQJTSA-N 2 1 303.494 2.782 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000081516811 192275992 /nfs/dbraw/zinc/27/59/92/192275992.db2.gz JOKBWGZOQNRHDN-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000081516811 192275994 /nfs/dbraw/zinc/27/59/94/192275994.db2.gz JOKBWGZOQNRHDN-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000081516811 192275996 /nfs/dbraw/zinc/27/59/96/192275996.db2.gz JOKBWGZOQNRHDN-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000081516811 192275998 /nfs/dbraw/zinc/27/59/98/192275998.db2.gz JOKBWGZOQNRHDN-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000081516936 192276466 /nfs/dbraw/zinc/27/64/66/192276466.db2.gz KPCBXAYBSQFFLT-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000081516936 192276467 /nfs/dbraw/zinc/27/64/67/192276467.db2.gz KPCBXAYBSQFFLT-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000081516936 192276470 /nfs/dbraw/zinc/27/64/70/192276470.db2.gz KPCBXAYBSQFFLT-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236886924 202053366 /nfs/dbraw/zinc/05/33/66/202053366.db2.gz HCHWIHGEGBTCSE-QAPCUYQASA-N 2 1 317.477 2.662 20 0 DFADMP CCC[C@H](C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348913 283216198 /nfs/dbraw/zinc/21/61/98/283216198.db2.gz CYFRDXYDHAQKTE-FUHWJXTLSA-N 2 1 323.525 2.876 20 0 DFADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(OC)c1 ZINC000237190840 202182602 /nfs/dbraw/zinc/18/26/02/202182602.db2.gz GMIHMDMBDXDKHI-ZDUSSCGKSA-N 2 1 303.406 2.635 20 0 DFADMP CS[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C(C)(C)C ZINC000594499182 398810283 /nfs/dbraw/zinc/81/02/83/398810283.db2.gz DUHWQXXFMDETDY-CABCVRRESA-N 2 1 300.512 2.607 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cnn(C)c2C(F)(F)F)[C@H](C)C1 ZINC000151664940 283291589 /nfs/dbraw/zinc/29/15/89/283291589.db2.gz IUOLRHLRWODITO-YPMHNXCESA-N 2 1 318.387 2.601 20 0 DFADMP CS[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)(C)C ZINC000594499555 398810847 /nfs/dbraw/zinc/81/08/47/398810847.db2.gz FUFYPCZJBAIZCB-JKSUJKDBSA-N 2 1 314.539 2.997 20 0 DFADMP CS[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)(C)C ZINC000594499554 398810887 /nfs/dbraw/zinc/81/08/87/398810887.db2.gz FUFYPCZJBAIZCB-HZPDHXFCSA-N 2 1 314.539 2.997 20 0 DFADMP Cc1ccc2ncc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)n2c1 ZINC000276742918 213080556 /nfs/dbraw/zinc/08/05/56/213080556.db2.gz YKHIGQIAYKQQMK-UHFFFAOYSA-N 2 1 300.450 2.854 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000179500309 199046139 /nfs/dbraw/zinc/04/61/39/199046139.db2.gz WHWSVIDUYFBCSQ-ARFHVFGLSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000179500309 199046140 /nfs/dbraw/zinc/04/61/40/199046140.db2.gz WHWSVIDUYFBCSQ-ARFHVFGLSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000179500296 199046818 /nfs/dbraw/zinc/04/68/18/199046818.db2.gz WHWSVIDUYFBCSQ-BZUAXINKSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000179500296 199046819 /nfs/dbraw/zinc/04/68/19/199046819.db2.gz WHWSVIDUYFBCSQ-BZUAXINKSA-N 2 1 305.441 2.867 20 0 DFADMP CCC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC000179755175 199076000 /nfs/dbraw/zinc/07/60/00/199076000.db2.gz DBMSPAZRHFHGPL-KRWDZBQOSA-N 2 1 319.449 2.619 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000075819432 398823719 /nfs/dbraw/zinc/82/37/19/398823719.db2.gz PNBJDSOLLIDAMR-UHFFFAOYSA-N 2 1 309.417 2.616 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000276696598 213052944 /nfs/dbraw/zinc/05/29/44/213052944.db2.gz SYYXRGPHXYWNSZ-HOCLYGCPSA-N 2 1 312.404 2.911 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000276696598 213052947 /nfs/dbraw/zinc/05/29/47/213052947.db2.gz SYYXRGPHXYWNSZ-HOCLYGCPSA-N 2 1 312.404 2.911 20 0 DFADMP COC[C@@H]([NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180718 199127819 /nfs/dbraw/zinc/12/78/19/199127819.db2.gz SAEUNOXVGQXAMS-LWYYNNOASA-N 2 1 314.473 2.912 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237395997 202252840 /nfs/dbraw/zinc/25/28/40/202252840.db2.gz XKMGCYIECDJXHE-CGTJXYLNSA-N 2 1 317.477 2.655 20 0 DFADMP CCc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000180927569 199229557 /nfs/dbraw/zinc/22/95/57/199229557.db2.gz AIKMGJJQJDKXPC-UHFFFAOYSA-N 2 1 303.494 2.707 20 0 DFADMP C[C@@H](CSCCF)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000595019670 398893144 /nfs/dbraw/zinc/89/31/44/398893144.db2.gz PBOCNVQTFDSPBK-SOUVJXGZSA-N 2 1 306.491 2.557 20 0 DFADMP CCOC(=O)CCCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316795 398898098 /nfs/dbraw/zinc/89/80/98/398898098.db2.gz MZJGRTHPRSYFFQ-UHFFFAOYSA-N 2 1 319.449 3.000 20 0 DFADMP Cc1cccc(NC2CC[NH+](CCC(=O)OC(C)(C)C)CC2)[nH+]1 ZINC000077316650 398898290 /nfs/dbraw/zinc/89/82/90/398898290.db2.gz FMQYYIOMVBULMF-UHFFFAOYSA-N 2 1 319.449 2.998 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000077435011 398903853 /nfs/dbraw/zinc/90/38/53/398903853.db2.gz QXBHCNZVMMPYSR-UHFFFAOYSA-N 2 1 307.467 2.674 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000281010197 216021135 /nfs/dbraw/zinc/02/11/35/216021135.db2.gz YKPWCAKSJIHYFD-GOSISDBHSA-N 2 1 303.450 2.623 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2C(=O)OC)C1 ZINC000187114759 200063894 /nfs/dbraw/zinc/06/38/94/200063894.db2.gz NMNBTEQVUZBYIX-INIZCTEOSA-N 2 1 318.461 2.679 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2ccccc2C(=O)OC)C1 ZINC000187114759 200063895 /nfs/dbraw/zinc/06/38/95/200063895.db2.gz NMNBTEQVUZBYIX-INIZCTEOSA-N 2 1 318.461 2.679 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000187114759 200063896 /nfs/dbraw/zinc/06/38/96/200063896.db2.gz NMNBTEQVUZBYIX-INIZCTEOSA-N 2 1 318.461 2.679 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2ccccc2C(=O)OC)C1 ZINC000187114759 200063897 /nfs/dbraw/zinc/06/38/97/200063897.db2.gz NMNBTEQVUZBYIX-INIZCTEOSA-N 2 1 318.461 2.679 20 0 DFADMP COC(=O)CC1CCC([NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000599025881 398909901 /nfs/dbraw/zinc/90/99/01/398909901.db2.gz SMAYKLMLJLIHRU-NUWOQIAWSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)CC1CCC([NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000599025881 398909902 /nfs/dbraw/zinc/90/99/02/398909902.db2.gz SMAYKLMLJLIHRU-NUWOQIAWSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)CCCCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000237438936 202266031 /nfs/dbraw/zinc/26/60/31/202266031.db2.gz UXZZMEKYUTWUKY-AEFFLSMTSA-N 2 1 317.477 2.675 20 0 DFADMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C[C@@H]1O ZINC000187679492 200144304 /nfs/dbraw/zinc/14/43/04/200144304.db2.gz AJYUYTBWVPILOA-MSOLQXFVSA-N 2 1 320.452 2.582 20 0 DFADMP CSC[C@@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932188 200178387 /nfs/dbraw/zinc/17/83/87/200178387.db2.gz OQNMWUQNELOTQO-SZMVWBNQSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932188 200178389 /nfs/dbraw/zinc/17/83/89/200178389.db2.gz OQNMWUQNELOTQO-SZMVWBNQSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932188 200178390 /nfs/dbraw/zinc/17/83/90/200178390.db2.gz OQNMWUQNELOTQO-SZMVWBNQSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932188 200178391 /nfs/dbraw/zinc/17/83/91/200178391.db2.gz OQNMWUQNELOTQO-SZMVWBNQSA-N 2 1 322.518 2.695 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2CC[NH2+]CC2)cc1 ZINC000237526470 202271405 /nfs/dbraw/zinc/27/14/05/202271405.db2.gz MMDKYUFWTVVALV-HNNXBMFYSA-N 2 1 315.461 2.999 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000599072023 398917243 /nfs/dbraw/zinc/91/72/43/398917243.db2.gz WVFJNWYIZFSDTL-PDSXEYIOSA-N 2 1 308.491 2.807 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281136159 216103446 /nfs/dbraw/zinc/10/34/46/216103446.db2.gz FLQFNNJOAWROKJ-ROUUACIJSA-N 2 1 319.493 2.974 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000188707025 200291230 /nfs/dbraw/zinc/29/12/30/200291230.db2.gz HVINOVLCQVPFEF-IBGZPJMESA-N 2 1 323.440 2.599 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000188833057 200309931 /nfs/dbraw/zinc/30/99/31/200309931.db2.gz WIUPKZBGEFBZNJ-ROUUACIJSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)[NH2+]CCCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000151817411 398927494 /nfs/dbraw/zinc/92/74/94/398927494.db2.gz VZVSTKYBTAIIIS-SFHVURJKSA-N 2 1 317.477 2.545 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCOC[C@H]2CCCO2)CC1 ZINC000152323144 398930544 /nfs/dbraw/zinc/93/05/44/398930544.db2.gz SOLOIYVWPBARLE-GOSISDBHSA-N 2 1 312.498 2.626 20 0 DFADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC[C@@H]1CCCO1 ZINC000152334044 398930615 /nfs/dbraw/zinc/93/06/15/398930615.db2.gz MYEMXGFYNHWZMC-OALUTQOASA-N 2 1 324.509 2.770 20 0 DFADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC[C@@H]1CCCO1 ZINC000152334044 398930620 /nfs/dbraw/zinc/93/06/20/398930620.db2.gz MYEMXGFYNHWZMC-OALUTQOASA-N 2 1 324.509 2.770 20 0 DFADMP O[C@H]1CC[C@@H](C[NH2+][C@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000189329867 200383481 /nfs/dbraw/zinc/38/34/81/200383481.db2.gz GKESKQXWQQGAHL-CXQPBAHBSA-N 2 1 314.473 2.648 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCCOCC3)CC2)cc1 ZINC000272051465 209419510 /nfs/dbraw/zinc/41/95/10/209419510.db2.gz ZJOBCPMFKGSAGW-GOSISDBHSA-N 2 1 302.462 2.852 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)[C@@H]1C ZINC000595553908 398968706 /nfs/dbraw/zinc/96/87/06/398968706.db2.gz AVESIVJYUSQCLB-GVDBMIGSSA-N 2 1 310.482 2.915 20 0 DFADMP Cc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056522914 398976375 /nfs/dbraw/zinc/97/63/75/398976375.db2.gz FQORGQGMZHMAEA-UHFFFAOYSA-N 2 1 303.450 2.597 20 0 DFADMP C[C@@H](CC[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000193959140 201153025 /nfs/dbraw/zinc/15/30/25/201153025.db2.gz QKTVPRAQSNZNHS-KRWDZBQOSA-N 2 1 304.478 2.959 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)F)c(F)c2)CC1 ZINC000271867170 209281346 /nfs/dbraw/zinc/28/13/46/209281346.db2.gz WNSUCBMCOMRSJG-UHFFFAOYSA-N 2 1 300.324 2.779 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281562789 216387249 /nfs/dbraw/zinc/38/72/49/216387249.db2.gz CWHYNYIDKRHPGJ-DLBZAZTESA-N 2 1 303.381 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000281562789 216387251 /nfs/dbraw/zinc/38/72/51/216387251.db2.gz CWHYNYIDKRHPGJ-DLBZAZTESA-N 2 1 303.381 2.529 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000600192580 398997886 /nfs/dbraw/zinc/99/78/86/398997886.db2.gz WDZKXKWOUOZXOO-AWEZNQCLSA-N 2 1 324.852 2.948 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000600192580 398997888 /nfs/dbraw/zinc/99/78/88/398997888.db2.gz WDZKXKWOUOZXOO-AWEZNQCLSA-N 2 1 324.852 2.948 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000271845445 209263420 /nfs/dbraw/zinc/26/34/20/209263420.db2.gz HMYKPLLQQBTFAX-INIZCTEOSA-N 3 1 317.477 2.540 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@H]1C)[NH+](C)C ZINC000474470695 299336617 /nfs/dbraw/zinc/33/66/17/299336617.db2.gz FNZPAPFUZSLIHA-DZUCGIPZSA-N 2 1 312.498 2.920 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796564 296051694 /nfs/dbraw/zinc/05/16/94/296051694.db2.gz SKJSCPZQCLXNOG-WBVHZDCISA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796564 296051695 /nfs/dbraw/zinc/05/16/95/296051695.db2.gz SKJSCPZQCLXNOG-WBVHZDCISA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796564 296051697 /nfs/dbraw/zinc/05/16/97/296051697.db2.gz SKJSCPZQCLXNOG-WBVHZDCISA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@H]1C ZINC000417796564 296051699 /nfs/dbraw/zinc/05/16/99/296051699.db2.gz SKJSCPZQCLXNOG-WBVHZDCISA-N 2 1 317.477 2.693 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621648521 399007174 /nfs/dbraw/zinc/00/71/74/399007174.db2.gz WWVATLBZUODHRT-SJORKVTESA-N 2 1 323.525 2.783 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621642254 399007669 /nfs/dbraw/zinc/00/76/69/399007669.db2.gz JAGYUUMDOYJVFT-IXDOHACOSA-N 2 1 323.525 2.639 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]C2)C1 ZINC000621648519 399007870 /nfs/dbraw/zinc/00/78/70/399007870.db2.gz WWVATLBZUODHRT-IAGOWNOFSA-N 2 1 323.525 2.783 20 0 DFADMP FC(F)COc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275527388 212395112 /nfs/dbraw/zinc/39/51/12/212395112.db2.gz LPSTXCHHPGGIKC-CQSZACIVSA-N 2 1 321.371 2.879 20 0 DFADMP CCCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271809213 209234376 /nfs/dbraw/zinc/23/43/76/209234376.db2.gz KKXZJMWRYRWYAH-UHFFFAOYSA-N 2 1 304.434 2.836 20 0 DFADMP C(=C\c1ccccc1)\C[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000255018009 283843276 /nfs/dbraw/zinc/84/32/76/283843276.db2.gz BNTOZUSAMIEQBU-YFHOEESVSA-N 2 1 313.489 2.803 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H](C)[N@@H+](C)C2CC2)cc1 ZINC000057709446 399056070 /nfs/dbraw/zinc/05/60/70/399056070.db2.gz SKOWMXDQDYAXNR-HNNXBMFYSA-N 2 1 317.477 2.741 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@H]12 ZINC000595734610 399062159 /nfs/dbraw/zinc/06/21/59/399062159.db2.gz UJJJNDBLVFFCPO-YLFCFFPRSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCCC[C@H]12 ZINC000595734610 399062160 /nfs/dbraw/zinc/06/21/60/399062160.db2.gz UJJJNDBLVFFCPO-YLFCFFPRSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCCC[C@H]12 ZINC000595734610 399062163 /nfs/dbraw/zinc/06/21/63/399062163.db2.gz UJJJNDBLVFFCPO-YLFCFFPRSA-N 2 1 308.466 2.524 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccc21 ZINC000621748516 399064654 /nfs/dbraw/zinc/06/46/54/399064654.db2.gz HTWWAIPKWPCUCP-GOSISDBHSA-N 2 1 315.461 2.950 20 0 DFADMP C[C@H](c1ccncc1)[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000606432098 399069175 /nfs/dbraw/zinc/06/91/75/399069175.db2.gz PTSOZCVMMAOVGF-KZNAEPCWSA-N 2 1 316.493 2.633 20 0 DFADMP Cc1nnc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)o1 ZINC000057924423 399070278 /nfs/dbraw/zinc/07/02/78/399070278.db2.gz QLVAKNACEZJQEZ-UHFFFAOYSA-N 2 1 314.433 2.722 20 0 DFADMP Cc1nnc(C[NH+]2CCC(C[N@H+](C)Cc3ccccc3)CC2)o1 ZINC000057924423 399070288 /nfs/dbraw/zinc/07/02/88/399070288.db2.gz QLVAKNACEZJQEZ-UHFFFAOYSA-N 2 1 314.433 2.722 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000058061042 399073394 /nfs/dbraw/zinc/07/33/94/399073394.db2.gz ULCXDMLOWDBWGW-AWEZNQCLSA-N 2 1 322.449 2.532 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1 ZINC000058061042 399073402 /nfs/dbraw/zinc/07/34/02/399073402.db2.gz ULCXDMLOWDBWGW-AWEZNQCLSA-N 2 1 322.449 2.532 20 0 DFADMP Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000419005393 296123823 /nfs/dbraw/zinc/12/38/23/296123823.db2.gz PIKNTTXPRXGBKJ-ZIAGYGMSSA-N 2 1 317.408 2.574 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275140520 212145966 /nfs/dbraw/zinc/14/59/66/212145966.db2.gz RLMUSIKGXREWJD-BVBHFADKSA-N 2 1 302.462 2.790 20 0 DFADMP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000481442755 299396228 /nfs/dbraw/zinc/39/62/28/299396228.db2.gz XMJCFSUHFYIEHO-ZACQAIPSSA-N 2 1 310.482 2.962 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000093132617 193204991 /nfs/dbraw/zinc/20/49/91/193204991.db2.gz FANUNLKTYNSGEW-FQEVSTJZSA-N 2 1 315.505 2.824 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262149589 203212131 /nfs/dbraw/zinc/21/21/31/203212131.db2.gz QWSOIQZILSITMM-SUMDDJOVSA-N 2 1 317.477 2.673 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262096704 203196920 /nfs/dbraw/zinc/19/69/20/203196920.db2.gz DPTPVSLBNXKFBB-YJBOKZPZSA-N 2 1 317.477 2.662 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000262314652 203258517 /nfs/dbraw/zinc/25/85/17/203258517.db2.gz OYPWABQDLYZQDG-HOCLYGCPSA-N 2 1 311.857 2.576 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000262334120 203265480 /nfs/dbraw/zinc/26/54/80/203265480.db2.gz WIIMGKBQLZXYKW-VQIMIIECSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H](C[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262370223 203276334 /nfs/dbraw/zinc/27/63/34/203276334.db2.gz LPBMKFNWTYEJLG-AWEZNQCLSA-N 2 1 303.450 2.984 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H](C)C[NH3+])c1 ZINC000262378089 203278663 /nfs/dbraw/zinc/27/86/63/203278663.db2.gz MOQMKOFWKYIUJU-ZDUSSCGKSA-N 2 1 300.406 2.588 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262631271 203359137 /nfs/dbraw/zinc/35/91/37/203359137.db2.gz HEMJCHOYSNNTFG-FUHWJXTLSA-N 2 1 317.477 2.623 20 0 DFADMP COCCOc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597173 193272212 /nfs/dbraw/zinc/27/22/12/193272212.db2.gz GOLFMSCARAIBBB-SFHVURJKSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000093597173 193272214 /nfs/dbraw/zinc/27/22/14/193272214.db2.gz GOLFMSCARAIBBB-SFHVURJKSA-N 2 1 318.461 2.630 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000093639860 193278016 /nfs/dbraw/zinc/27/80/16/193278016.db2.gz GTAOINMFGYKGHH-KSSFIOAISA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000093639860 193278018 /nfs/dbraw/zinc/27/80/18/193278018.db2.gz GTAOINMFGYKGHH-KSSFIOAISA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000093639860 193278020 /nfs/dbraw/zinc/27/80/20/193278020.db2.gz GTAOINMFGYKGHH-KSSFIOAISA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000093639860 193278021 /nfs/dbraw/zinc/27/80/21/193278021.db2.gz GTAOINMFGYKGHH-KSSFIOAISA-N 2 1 306.498 2.707 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2NC(C)=O)[C@H](C)C1 ZINC000093639607 193278956 /nfs/dbraw/zinc/27/89/56/193278956.db2.gz OYUDPFXJGMTXPX-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2NC(C)=O)[C@H](C)C1 ZINC000093639607 193278958 /nfs/dbraw/zinc/27/89/58/193278958.db2.gz OYUDPFXJGMTXPX-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2NC(C)=O)[C@H](C)C1 ZINC000093639607 193278960 /nfs/dbraw/zinc/27/89/60/193278960.db2.gz OYUDPFXJGMTXPX-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2NC(C)=O)[C@H](C)C1 ZINC000093639607 193278962 /nfs/dbraw/zinc/27/89/62/193278962.db2.gz OYUDPFXJGMTXPX-RDTXWAMCSA-N 2 1 303.450 2.807 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093742139 193298346 /nfs/dbraw/zinc/29/83/46/193298346.db2.gz BHMWGADUPOUBEF-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093742139 193298348 /nfs/dbraw/zinc/29/83/48/193298348.db2.gz BHMWGADUPOUBEF-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093742139 193298350 /nfs/dbraw/zinc/29/83/50/193298350.db2.gz BHMWGADUPOUBEF-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093742139 193298352 /nfs/dbraw/zinc/29/83/52/193298352.db2.gz BHMWGADUPOUBEF-KRWDZBQOSA-N 2 1 303.450 2.809 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(F)cc2Cl)CC1 ZINC000094072755 193342941 /nfs/dbraw/zinc/34/29/41/193342941.db2.gz AFDHAXHHVGSRSU-UHFFFAOYSA-N 2 1 300.805 2.809 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000340523625 284187921 /nfs/dbraw/zinc/18/79/21/284187921.db2.gz GZPQPGFFXVLUCS-QZTJIDSGSA-N 2 1 306.498 2.865 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000600106879 399137313 /nfs/dbraw/zinc/13/73/13/399137313.db2.gz IXIDBGCGDILCFN-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1C ZINC000600106879 399137317 /nfs/dbraw/zinc/13/73/17/399137317.db2.gz IXIDBGCGDILCFN-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1C ZINC000600106879 399137321 /nfs/dbraw/zinc/13/73/21/399137321.db2.gz IXIDBGCGDILCFN-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000600106879 399137328 /nfs/dbraw/zinc/13/73/28/399137328.db2.gz IXIDBGCGDILCFN-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3ccc(C)cc3)C2)CC1 ZINC000600117270 399141937 /nfs/dbraw/zinc/14/19/37/399141937.db2.gz KGPHQSHKXSKASE-ICSRJNTNSA-N 2 1 315.505 2.810 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCOCc2ccc(OC)cc2)CC1 ZINC000607150632 399145823 /nfs/dbraw/zinc/14/58/23/399145823.db2.gz BEZSEQJNUYWECZ-UHFFFAOYSA-N 2 1 306.450 2.628 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCOCc2ccc(OC)cc2)CC1 ZINC000607150632 399145829 /nfs/dbraw/zinc/14/58/29/399145829.db2.gz BEZSEQJNUYWECZ-UHFFFAOYSA-N 2 1 306.450 2.628 20 0 DFADMP CCO[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000607153925 399145880 /nfs/dbraw/zinc/14/58/80/399145880.db2.gz RNOOWJOBTKSEML-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000264574748 204004984 /nfs/dbraw/zinc/00/49/84/204004984.db2.gz XHNVMXAGDUTNQZ-KRWDZBQOSA-N 2 1 313.449 2.637 20 0 DFADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000264574748 204004987 /nfs/dbraw/zinc/00/49/87/204004987.db2.gz XHNVMXAGDUTNQZ-KRWDZBQOSA-N 2 1 313.449 2.637 20 0 DFADMP C[C@H](CCC[NH3+])Nc1cc[nH+]c2ccc(Br)cc12 ZINC000420258057 296166470 /nfs/dbraw/zinc/16/64/70/296166470.db2.gz FRPZVZSYGISOMF-SNVBAGLBSA-N 2 1 308.223 2.959 20 0 DFADMP COCC1(CNc2cc[nH+]c3ccc(Cl)cc23)CC[NH2+]CC1 ZINC000420248976 296165666 /nfs/dbraw/zinc/16/56/66/296165666.db2.gz WWLSSEZDORFROU-UHFFFAOYSA-N 2 1 319.836 2.738 20 0 DFADMP CN(c1cc[nH+]c2cc(Br)ccc21)C1CC([NH3+])C1 ZINC000420272173 296167985 /nfs/dbraw/zinc/16/79/85/296167985.db2.gz DDGVTBGGJQLZGP-UHFFFAOYSA-N 2 1 306.207 2.923 20 0 DFADMP Fc1ccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1F ZINC000420300327 296171233 /nfs/dbraw/zinc/17/12/33/296171233.db2.gz KAKHTGMMRAUJJU-SUMWQHHRSA-N 2 1 310.388 2.728 20 0 DFADMP Fc1ccc([C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1F ZINC000420300327 296171234 /nfs/dbraw/zinc/17/12/34/296171234.db2.gz KAKHTGMMRAUJJU-SUMWQHHRSA-N 2 1 310.388 2.728 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCS[C@H](C(C)C)C2)cc1 ZINC000420296422 296170841 /nfs/dbraw/zinc/17/08/41/296170841.db2.gz DMVZGNGGBFWMGO-WBVHZDCISA-N 2 1 308.491 2.811 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420299310 296171316 /nfs/dbraw/zinc/17/13/16/296171316.db2.gz AQDSDOVICYSALL-QWHCGFSZSA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000420299310 296171317 /nfs/dbraw/zinc/17/13/17/296171317.db2.gz AQDSDOVICYSALL-QWHCGFSZSA-N 2 1 316.401 2.779 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@H]12 ZINC000420299329 296171369 /nfs/dbraw/zinc/17/13/69/296171369.db2.gz ASNWZFVFUGTVEV-YSIASYRMSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@H]12 ZINC000420299329 296171370 /nfs/dbraw/zinc/17/13/70/296171370.db2.gz ASNWZFVFUGTVEV-YSIASYRMSA-N 2 1 323.440 2.830 20 0 DFADMP FC(F)(F)c1cc([C@@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000420302109 296171821 /nfs/dbraw/zinc/17/18/21/296171821.db2.gz MDDHSAQJNYOOKK-NWDGAFQWSA-N 2 1 316.371 2.608 20 0 DFADMP Fc1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420303926 296172045 /nfs/dbraw/zinc/17/20/45/296172045.db2.gz NYKQSEBBAYMMMA-QAPCUYQASA-N 2 1 306.425 2.806 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nccn1Cc1ccccc1 ZINC000420308671 296172777 /nfs/dbraw/zinc/17/27/77/296172777.db2.gz DHMDFUVXNAPDKQ-KRWDZBQOSA-N 2 1 312.461 2.753 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000420308122 296172959 /nfs/dbraw/zinc/17/29/59/296172959.db2.gz SAXMPOASLYKLPE-HKUYNNGSSA-N 2 1 318.461 2.630 20 0 DFADMP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420303475 296172273 /nfs/dbraw/zinc/17/22/73/296172273.db2.gz KKDWCRAILGOYPE-IRXDYDNUSA-N 2 1 315.461 2.727 20 0 DFADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000420306207 296172648 /nfs/dbraw/zinc/17/26/48/296172648.db2.gz ACMDCBQHDVHJIA-KSSFIOAISA-N 2 1 316.424 2.580 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000420308124 296172968 /nfs/dbraw/zinc/17/29/68/296172968.db2.gz SAXMPOASLYKLPE-MJGOQNOKSA-N 2 1 318.461 2.630 20 0 DFADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nccn1Cc1ccccc1 ZINC000420308671 296172776 /nfs/dbraw/zinc/17/27/76/296172776.db2.gz DHMDFUVXNAPDKQ-KRWDZBQOSA-N 2 1 312.461 2.753 20 0 DFADMP CCn1ccnc1C[N@@H+](CCCCCF)[C@H]1CC12CC[NH2+]CC2 ZINC000420320595 296174587 /nfs/dbraw/zinc/17/45/87/296174587.db2.gz YTCAPJLNQNZEOV-INIZCTEOSA-N 2 1 322.472 2.987 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1cccs1 ZINC000420323978 296175146 /nfs/dbraw/zinc/17/51/46/296175146.db2.gz UUJLLVAPIUQYBL-ULQDDVLXSA-N 2 1 316.470 2.816 20 0 DFADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323115 296175470 /nfs/dbraw/zinc/17/54/70/296175470.db2.gz FTAMCOZIAGESHC-GXTWGEPZSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323115 296175471 /nfs/dbraw/zinc/17/54/71/296175471.db2.gz FTAMCOZIAGESHC-GXTWGEPZSA-N 2 1 310.388 2.713 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1 ZINC000420321641 296174918 /nfs/dbraw/zinc/17/49/18/296174918.db2.gz RIVOTIJXCRCCEI-HKUYNNGSSA-N 2 1 301.478 2.977 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC12CCOCC2 ZINC000420328749 296176255 /nfs/dbraw/zinc/17/62/55/296176255.db2.gz MYCFGKLWHOFCRD-HNNXBMFYSA-N 2 1 310.388 2.812 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334297 296176675 /nfs/dbraw/zinc/17/66/75/296176675.db2.gz GCSXYCNZMHAEOP-YESZJQIVSA-N 2 1 315.461 2.644 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(F)ccc2Cl)CC12CCOCC2 ZINC000420337725 296177236 /nfs/dbraw/zinc/17/72/36/296177236.db2.gz WYXKPFGEFNHSNO-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(F)ccc2Cl)CC12CCOCC2 ZINC000420337725 296177237 /nfs/dbraw/zinc/17/72/37/296177237.db2.gz WYXKPFGEFNHSNO-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1C ZINC000420339545 296177488 /nfs/dbraw/zinc/17/74/88/296177488.db2.gz LZTGAHCPSZEALV-DLBZAZTESA-N 2 1 315.461 2.563 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420334294 296176758 /nfs/dbraw/zinc/17/67/58/296176758.db2.gz GCSXYCNZMHAEOP-ULQDDVLXSA-N 2 1 315.461 2.644 20 0 DFADMP C[N@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC([NH3+])C1 ZINC000420337515 296177052 /nfs/dbraw/zinc/17/70/52/296177052.db2.gz QXOSEHGRHGCPAE-UHFFFAOYSA-N 2 1 309.413 2.860 20 0 DFADMP C[N@@H+](Cc1cccc(C(=O)Nc2ccccc2)c1)C1CC([NH3+])C1 ZINC000420337515 296177053 /nfs/dbraw/zinc/17/70/53/296177053.db2.gz QXOSEHGRHGCPAE-UHFFFAOYSA-N 2 1 309.413 2.860 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420336020 296177080 /nfs/dbraw/zinc/17/70/80/296177080.db2.gz VINOQOWBVHAXTB-GJZGRUSLSA-N 2 1 304.438 2.549 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420341798 296177792 /nfs/dbraw/zinc/17/77/92/296177792.db2.gz QGYFNOHRCBOYNT-YESZJQIVSA-N 2 1 315.461 2.562 20 0 DFADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420341505 296177851 /nfs/dbraw/zinc/17/78/51/296177851.db2.gz ORJYUFUWPZTZMM-KGLIPLIRSA-N 2 1 321.852 2.600 20 0 DFADMP c1coc(-c2cc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420345992 296178012 /nfs/dbraw/zinc/17/80/12/296178012.db2.gz WZQAPXOESOHDBQ-UONOGXRCSA-N 2 1 301.390 2.756 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000278238324 214041612 /nfs/dbraw/zinc/04/16/12/214041612.db2.gz LDESJLLAIWPVDI-VQIMIIECSA-N 2 1 317.477 2.631 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343848 296177690 /nfs/dbraw/zinc/17/76/90/296177690.db2.gz ROWFWVOIFGCKSI-IAGOWNOFSA-N 2 1 315.461 2.509 20 0 DFADMP Cc1nc(C(F)(F)F)c(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)s1 ZINC000420352564 296178840 /nfs/dbraw/zinc/17/88/40/296178840.db2.gz ASEIYLVFGXSVDA-SNVBAGLBSA-N 2 1 307.385 2.948 20 0 DFADMP c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420344589 296178225 /nfs/dbraw/zinc/17/82/25/296178225.db2.gz UEYGWJOMNSQKSI-CVEARBPZSA-N 2 1 312.417 2.558 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000420362318 296180277 /nfs/dbraw/zinc/18/02/77/296180277.db2.gz MYVIHZOFXWLHLR-ZDUSSCGKSA-N 2 1 315.255 2.791 20 0 DFADMP c1nc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000420362119 296180494 /nfs/dbraw/zinc/18/04/94/296180494.db2.gz AHRHMWXQYIPLPB-IRXDYDNUSA-N 2 1 316.493 2.789 20 0 DFADMP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000420365597 296180752 /nfs/dbraw/zinc/18/07/52/296180752.db2.gz FAFRZOSEKMDHGE-IRXDYDNUSA-N 2 1 312.461 2.890 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000420365746 296180850 /nfs/dbraw/zinc/18/08/50/296180850.db2.gz LLOGIYJKFXZZIW-HSMVNMDESA-N 2 1 309.841 2.645 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367882 296181012 /nfs/dbraw/zinc/18/10/12/296181012.db2.gz WKGGAYZYCGCXFA-DLBZAZTESA-N 2 1 318.461 2.687 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000420366407 296181055 /nfs/dbraw/zinc/18/10/55/296181055.db2.gz RABLMKIABWANEF-ZDUSSCGKSA-N 2 1 322.840 2.896 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCc3cccc(F)c3C2)cc1 ZINC000420366920 296181066 /nfs/dbraw/zinc/18/10/66/296181066.db2.gz VFYGPDSHUGDERZ-INIZCTEOSA-N 2 1 314.404 2.935 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3cccc(F)c3C2)cc1 ZINC000420366920 296181067 /nfs/dbraw/zinc/18/10/67/296181067.db2.gz VFYGPDSHUGDERZ-INIZCTEOSA-N 2 1 314.404 2.935 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000420368630 296181446 /nfs/dbraw/zinc/18/14/46/296181446.db2.gz NVAPDBNYPBAVSW-XHBSWPGZSA-N 2 1 309.841 2.645 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)no1 ZINC000420369049 296181481 /nfs/dbraw/zinc/18/14/81/296181481.db2.gz XKINNZLUXXJCIQ-OAHLLOKOSA-N 2 1 306.454 2.762 20 0 DFADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000420374726 296182273 /nfs/dbraw/zinc/18/22/73/296182273.db2.gz SGQUJEINBSHNMR-MRXNPFEDSA-N 2 1 307.413 2.652 20 0 DFADMP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420376620 296182807 /nfs/dbraw/zinc/18/28/07/296182807.db2.gz QVLGULJBFFNUMT-KRWDZBQOSA-N 2 1 312.461 2.890 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2cccc3ccccc32)CCCO1 ZINC000420383850 296184089 /nfs/dbraw/zinc/18/40/89/296184089.db2.gz FWJVQUONFZUVPC-KRWDZBQOSA-N 2 1 314.429 2.658 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000342089061 284323704 /nfs/dbraw/zinc/32/37/04/284323704.db2.gz SCAOHCDTLWETTN-HOTGVXAUSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000342089061 284323705 /nfs/dbraw/zinc/32/37/05/284323705.db2.gz SCAOHCDTLWETTN-HOTGVXAUSA-N 2 1 304.434 2.729 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420400320 296186245 /nfs/dbraw/zinc/18/62/45/296186245.db2.gz ORZOQXUJMYZBPQ-QFBILLFUSA-N 2 1 318.461 2.928 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395052 296185597 /nfs/dbraw/zinc/18/55/97/296185597.db2.gz KQGOFKQUOAHLOW-QZTJIDSGSA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)N1CC[C@H]([NH2+]C[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420404592 296186890 /nfs/dbraw/zinc/18/68/90/296186890.db2.gz MGLPEOCQXMQSJO-UVBJJODRSA-N 2 1 313.848 2.940 20 0 DFADMP O=C(NCC12CCC[NH+]1CCC2)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000614225395 399181279 /nfs/dbraw/zinc/18/12/79/399181279.db2.gz OGAFITRTBPPCEF-QGZVFWFLSA-N 2 1 319.493 2.528 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000618660376 399200956 /nfs/dbraw/zinc/20/09/56/399200956.db2.gz JMZMHYQAMXCHFN-YVSFHVDLSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000618660376 399200959 /nfs/dbraw/zinc/20/09/59/399200959.db2.gz JMZMHYQAMXCHFN-YVSFHVDLSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000618660376 399200962 /nfs/dbraw/zinc/20/09/62/399200962.db2.gz JMZMHYQAMXCHFN-YVSFHVDLSA-N 2 1 321.509 2.771 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000281832924 284366531 /nfs/dbraw/zinc/36/65/31/284366531.db2.gz WNVCXTUPBQGYLA-GOSISDBHSA-N 2 1 317.477 2.624 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665519 399203033 /nfs/dbraw/zinc/20/30/33/399203033.db2.gz JXPYTFVKYVAFRK-GJZGRUSLSA-N 2 1 309.498 2.676 20 0 DFADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000614329725 399207986 /nfs/dbraw/zinc/20/79/86/399207986.db2.gz GTXXPZNQTBZSLX-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000342601040 284377127 /nfs/dbraw/zinc/37/71/27/284377127.db2.gz UFGROBZLVCMQCW-YJBOKZPZSA-N 2 1 306.450 2.583 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000342601040 284377129 /nfs/dbraw/zinc/37/71/29/284377129.db2.gz UFGROBZLVCMQCW-YJBOKZPZSA-N 2 1 306.450 2.583 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000342601033 284377298 /nfs/dbraw/zinc/37/72/98/284377298.db2.gz UFGROBZLVCMQCW-CRAIPNDOSA-N 2 1 306.450 2.583 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000342601033 284377300 /nfs/dbraw/zinc/37/73/00/284377300.db2.gz UFGROBZLVCMQCW-CRAIPNDOSA-N 2 1 306.450 2.583 20 0 DFADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000614342010 399214388 /nfs/dbraw/zinc/21/43/88/399214388.db2.gz MAJRJCKNAUTOPY-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000064057490 399215899 /nfs/dbraw/zinc/21/58/99/399215899.db2.gz ULZPMYOJTUCWNF-QGZVFWFLSA-N 2 1 317.477 2.622 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000064057490 399215902 /nfs/dbraw/zinc/21/59/02/399215902.db2.gz ULZPMYOJTUCWNF-QGZVFWFLSA-N 2 1 317.477 2.622 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2cc(Br)ccc2F)CC1 ZINC000019843445 182156706 /nfs/dbraw/zinc/15/67/06/182156706.db2.gz YTUHNCAMWFPPBR-UHFFFAOYSA-N 2 1 301.203 2.759 20 0 DFADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CCCCO1 ZINC000420900332 296209840 /nfs/dbraw/zinc/20/98/40/296209840.db2.gz HXRHZOIYEDYYES-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CCCCO1 ZINC000420900332 296209842 /nfs/dbraw/zinc/20/98/42/296209842.db2.gz HXRHZOIYEDYYES-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP C[C@@H]1[C@H](C)SCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420911924 296211060 /nfs/dbraw/zinc/21/10/60/296211060.db2.gz GWVYVPOEEADLDP-CVEARBPZSA-N 2 1 320.502 2.845 20 0 DFADMP C[C@@H]1[C@H](C)SCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420911924 296211061 /nfs/dbraw/zinc/21/10/61/296211061.db2.gz GWVYVPOEEADLDP-CVEARBPZSA-N 2 1 320.502 2.845 20 0 DFADMP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420926088 296213087 /nfs/dbraw/zinc/21/30/87/296213087.db2.gz XIWPQFSEBSJFPY-INIZCTEOSA-N 2 1 320.502 2.846 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420926088 296213088 /nfs/dbraw/zinc/21/30/88/296213088.db2.gz XIWPQFSEBSJFPY-INIZCTEOSA-N 2 1 320.502 2.846 20 0 DFADMP Cn1cc(Cl)c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000420933992 296214207 /nfs/dbraw/zinc/21/42/07/296214207.db2.gz JHNYCFLDLWLUPF-WBMJQRKESA-N 2 1 308.857 2.522 20 0 DFADMP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000420960425 296218139 /nfs/dbraw/zinc/21/81/39/296218139.db2.gz HSGRTYYVPFFUGJ-QFBILLFUSA-N 2 1 318.461 2.518 20 0 DFADMP CO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000420960425 296218140 /nfs/dbraw/zinc/21/81/40/296218140.db2.gz HSGRTYYVPFFUGJ-QFBILLFUSA-N 2 1 318.461 2.518 20 0 DFADMP CCOC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420960446 296218251 /nfs/dbraw/zinc/21/82/51/296218251.db2.gz HVABSTXNQUYVHK-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3CC(F)(F)C3)CC2)CC1 ZINC000420979348 296220359 /nfs/dbraw/zinc/22/03/59/296220359.db2.gz KNRSHPHLPHRSFZ-UHFFFAOYSA-N 2 1 315.452 2.524 20 0 DFADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420980617 296220098 /nfs/dbraw/zinc/22/00/98/296220098.db2.gz WZJIXPDCVGTHIS-IXDOHACOSA-N 2 1 302.462 2.995 20 0 DFADMP C[C@@H]1[C@@H](C)[C@H](C)C[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420980617 296220099 /nfs/dbraw/zinc/22/00/99/296220099.db2.gz WZJIXPDCVGTHIS-IXDOHACOSA-N 2 1 302.462 2.995 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000622408570 399252084 /nfs/dbraw/zinc/25/20/84/399252084.db2.gz CPNQDGUCZMRFCF-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622408570 399252086 /nfs/dbraw/zinc/25/20/86/399252086.db2.gz CPNQDGUCZMRFCF-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000622408570 399252088 /nfs/dbraw/zinc/25/20/88/399252088.db2.gz CPNQDGUCZMRFCF-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031035 296228827 /nfs/dbraw/zinc/22/88/27/296228827.db2.gz ZKHDYQHQSUJTIJ-ROUUACIJSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031035 296228828 /nfs/dbraw/zinc/22/88/28/296228828.db2.gz ZKHDYQHQSUJTIJ-ROUUACIJSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031035 296228829 /nfs/dbraw/zinc/22/88/29/296228829.db2.gz ZKHDYQHQSUJTIJ-ROUUACIJSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031035 296228830 /nfs/dbraw/zinc/22/88/30/296228830.db2.gz ZKHDYQHQSUJTIJ-ROUUACIJSA-N 2 1 302.462 2.710 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000618903274 399255435 /nfs/dbraw/zinc/25/54/35/399255435.db2.gz PBOQLEIVXITJHG-QWHCGFSZSA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000618903274 399255437 /nfs/dbraw/zinc/25/54/37/399255437.db2.gz PBOQLEIVXITJHG-QWHCGFSZSA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000614779655 399267296 /nfs/dbraw/zinc/26/72/96/399267296.db2.gz AEGFPVPTIHHDAC-OLZOCXBDSA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000614779655 399267299 /nfs/dbraw/zinc/26/72/99/399267299.db2.gz AEGFPVPTIHHDAC-OLZOCXBDSA-N 2 1 317.389 2.518 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]2CCC[C@@H]21 ZINC000608498468 399270886 /nfs/dbraw/zinc/27/08/86/399270886.db2.gz NVFSVLGUYLMGDN-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]2CCC[C@@H]21 ZINC000608498468 399270888 /nfs/dbraw/zinc/27/08/88/399270888.db2.gz NVFSVLGUYLMGDN-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000608498468 399270890 /nfs/dbraw/zinc/27/08/90/399270890.db2.gz NVFSVLGUYLMGDN-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000608498468 399270891 /nfs/dbraw/zinc/27/08/91/399270891.db2.gz NVFSVLGUYLMGDN-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421331193 296245146 /nfs/dbraw/zinc/24/51/46/296245146.db2.gz ZKZOTFIPNGOXDI-UHFFFAOYSA-N 2 1 307.526 2.963 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc(C3CC3)c2)CC1(C)C ZINC000421355944 296247290 /nfs/dbraw/zinc/24/72/90/296247290.db2.gz KJSDFQRMZRVSIL-UHFFFAOYSA-N 2 1 301.478 2.680 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCO1 ZINC000421391416 296251909 /nfs/dbraw/zinc/25/19/09/296251909.db2.gz UGTVCYRWNTYPQR-ZIAGYGMSSA-N 2 1 323.506 2.957 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCO1 ZINC000421391416 296251910 /nfs/dbraw/zinc/25/19/10/296251910.db2.gz UGTVCYRWNTYPQR-ZIAGYGMSSA-N 2 1 323.506 2.957 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CCc1c[nH+]cn1C ZINC000623086631 399324182 /nfs/dbraw/zinc/32/41/82/399324182.db2.gz ANJAHBNIDCJWKD-UHFFFAOYSA-N 2 1 323.444 2.614 20 0 DFADMP C[C@@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2n[nH]cc2C1 ZINC000623242307 399345355 /nfs/dbraw/zinc/34/53/55/399345355.db2.gz WOPHDOGKDPTQSS-DOTOQJQBSA-N 2 1 310.445 2.678 20 0 DFADMP Fc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c1 ZINC000051960061 425883859 /nfs/dbraw/zinc/88/38/59/425883859.db2.gz XYHUTCLILIAYND-UHFFFAOYSA-N 2 1 310.388 2.509 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000105451324 194103945 /nfs/dbraw/zinc/10/39/45/194103945.db2.gz JDFLZFJJVCHFCK-QAPCUYQASA-N 2 1 319.493 2.766 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1OC ZINC000105443503 194104098 /nfs/dbraw/zinc/10/40/98/194104098.db2.gz ISMUITAPGQOYHL-CYBMUJFWSA-N 2 1 303.406 2.635 20 0 DFADMP C[N@@H+]1CCO[C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]21 ZINC000284855760 218208834 /nfs/dbraw/zinc/20/88/34/218208834.db2.gz DYILBSFMQRTSKK-SJORKVTESA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CCO[C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]21 ZINC000284855760 218208838 /nfs/dbraw/zinc/20/88/38/218208838.db2.gz DYILBSFMQRTSKK-SJORKVTESA-N 2 1 317.820 2.798 20 0 DFADMP COc1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1OC1CC1 ZINC000623343352 399367207 /nfs/dbraw/zinc/36/72/07/399367207.db2.gz NWEBBJPBDPGHQO-UHFFFAOYSA-N 2 1 304.434 2.812 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CN(C)Cc1ccccc1)C(C)C ZINC000284938930 218243028 /nfs/dbraw/zinc/24/30/28/218243028.db2.gz IQLULSGFCXMDBY-IBGZPJMESA-N 2 1 314.477 2.938 20 0 DFADMP C[NH+]1CC[C@@H](NCCC[N@@H+]2CCc3ccccc3C2)CC1(C)C ZINC000623347531 399367959 /nfs/dbraw/zinc/36/79/59/399367959.db2.gz CUQXRAQBNWSCPJ-LJQANCHMSA-N 2 1 315.505 2.897 20 0 DFADMP C[NH+]1CC[C@@H](NCCC[N@H+]2CCc3ccccc3C2)CC1(C)C ZINC000623347531 399367963 /nfs/dbraw/zinc/36/79/63/399367963.db2.gz CUQXRAQBNWSCPJ-LJQANCHMSA-N 2 1 315.505 2.897 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CC1(C)C ZINC000623347531 399367966 /nfs/dbraw/zinc/36/79/66/399367966.db2.gz CUQXRAQBNWSCPJ-LJQANCHMSA-N 2 1 315.505 2.897 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)CC1(C)C ZINC000623347531 399367968 /nfs/dbraw/zinc/36/79/68/399367968.db2.gz CUQXRAQBNWSCPJ-LJQANCHMSA-N 2 1 315.505 2.897 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000623347008 399368254 /nfs/dbraw/zinc/36/82/54/399368254.db2.gz KVLLDFHOEIHCKH-VQIMIIECSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000623347008 399368256 /nfs/dbraw/zinc/36/82/56/399368256.db2.gz KVLLDFHOEIHCKH-VQIMIIECSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000623347008 399368257 /nfs/dbraw/zinc/36/82/57/399368257.db2.gz KVLLDFHOEIHCKH-VQIMIIECSA-N 2 1 315.505 2.896 20 0 DFADMP CCOc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000105862275 194149921 /nfs/dbraw/zinc/14/99/21/194149921.db2.gz OVSDHQPBJSQJTH-INIZCTEOSA-N 2 1 320.477 2.610 20 0 DFADMP C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1nnc2n1CCCCC2 ZINC000623352100 399369539 /nfs/dbraw/zinc/36/95/39/399369539.db2.gz OXNVZAGHVADLFU-KGLIPLIRSA-N 2 1 305.470 2.528 20 0 DFADMP CCSCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601962739 399369998 /nfs/dbraw/zinc/36/99/98/399369998.db2.gz ACUBYKMUFBTVMS-SJLPKXTDSA-N 2 1 322.518 2.745 20 0 DFADMP CCSCC[C@@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601962739 399370000 /nfs/dbraw/zinc/37/00/00/399370000.db2.gz ACUBYKMUFBTVMS-SJLPKXTDSA-N 2 1 322.518 2.745 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC1(C)C ZINC000623363033 399372925 /nfs/dbraw/zinc/37/29/25/399372925.db2.gz VKOGWTSQESPCBH-SFHVURJKSA-N 2 1 316.493 2.508 20 0 DFADMP CN(C)C(=O)C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623374371 399374956 /nfs/dbraw/zinc/37/49/56/399374956.db2.gz BPDSKHAZGMWDKT-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP CN(C)C(=O)C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623374371 399374958 /nfs/dbraw/zinc/37/49/58/399374958.db2.gz BPDSKHAZGMWDKT-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)CC1(C)C ZINC000623378687 399376168 /nfs/dbraw/zinc/37/61/68/399376168.db2.gz LQWFVRUERGGHSL-CQSZACIVSA-N 2 1 300.450 2.958 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1(C)C ZINC000623388274 399377541 /nfs/dbraw/zinc/37/75/41/399377541.db2.gz CTIXHHTYWPQWMY-GJZGRUSLSA-N 2 1 318.509 2.958 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1(C)C ZINC000623388275 399377820 /nfs/dbraw/zinc/37/78/20/399377820.db2.gz CTIXHHTYWPQWMY-HUUCEWRRSA-N 2 1 318.509 2.958 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000610542800 399379702 /nfs/dbraw/zinc/37/97/02/399379702.db2.gz ZUKNZLGILMKLLN-AWEZNQCLSA-N 2 1 317.389 2.662 20 0 DFADMP CCc1oc(C(=O)OC)cc1CN1CCC[C@H](n2ccnc2)C1 ZINC000610542800 399379705 /nfs/dbraw/zinc/37/97/05/399379705.db2.gz ZUKNZLGILMKLLN-AWEZNQCLSA-N 2 1 317.389 2.662 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC1(C)C ZINC000623398993 399380007 /nfs/dbraw/zinc/38/00/07/399380007.db2.gz VIWDXNPRSAPQDB-HNNXBMFYSA-N 2 1 304.434 2.810 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC1(C)C ZINC000623398993 399380010 /nfs/dbraw/zinc/38/00/10/399380010.db2.gz VIWDXNPRSAPQDB-HNNXBMFYSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000623418183 399385296 /nfs/dbraw/zinc/38/52/96/399385296.db2.gz GFIHNJMGHKSSBN-AAEUAGOBSA-N 2 1 302.422 2.792 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000623418183 399385300 /nfs/dbraw/zinc/38/53/00/399385300.db2.gz GFIHNJMGHKSSBN-AAEUAGOBSA-N 2 1 302.422 2.792 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432147 399387859 /nfs/dbraw/zinc/38/78/59/399387859.db2.gz GIRLRNJVUNTHNT-HUUCEWRRSA-N 2 1 306.450 2.925 20 0 DFADMP Cc1c(Cl)c(C[NH2+][C@H](CCC[NH3+])c2ccccc2)nn1C ZINC000422556999 296311993 /nfs/dbraw/zinc/31/19/93/296311993.db2.gz UZDBOEJJJSUXKJ-CQSZACIVSA-N 2 1 306.841 2.952 20 0 DFADMP COCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000422561261 296312607 /nfs/dbraw/zinc/31/26/07/296312607.db2.gz KFVHNBNJYOOCHX-INMHGKMJSA-N 2 1 306.450 2.517 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC2(CC[NH2+]2)CC1 ZINC000422564351 296312953 /nfs/dbraw/zinc/31/29/53/296312953.db2.gz VSKPADSKVLUIDX-UHFFFAOYSA-N 2 1 315.505 2.973 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000422562407 296312715 /nfs/dbraw/zinc/31/27/15/296312715.db2.gz PXOOHNOSECGFGV-YCPHGPKFSA-N 2 1 306.450 2.899 20 0 DFADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000268858262 207027538 /nfs/dbraw/zinc/02/75/38/207027538.db2.gz RNVAXRBJDNAPAI-WMZOPIPTSA-N 2 1 306.450 2.583 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000268861814 207028015 /nfs/dbraw/zinc/02/80/15/207028015.db2.gz MTXFYJADYWFYOH-ZDUSSCGKSA-N 2 1 300.406 2.891 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000268868386 207038320 /nfs/dbraw/zinc/03/83/20/207038320.db2.gz OOLUXEFVXZEJCT-APWZRJJASA-N 2 1 312.461 2.692 20 0 DFADMP CC[C@@H](C)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268898908 207067049 /nfs/dbraw/zinc/06/70/49/207067049.db2.gz PTCLDOCDDBJKMZ-DNVCBOLYSA-N 2 1 322.468 2.829 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000268887905 207057630 /nfs/dbraw/zinc/05/76/30/207057630.db2.gz XOEAYZZJSPTGQH-GJYPPUQNSA-N 2 1 312.461 2.733 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)s1 ZINC000422633387 296317170 /nfs/dbraw/zinc/31/71/70/296317170.db2.gz IAVSDRGJBOSODK-WDMOLILDSA-N 2 1 310.463 2.648 20 0 DFADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(C)s1 ZINC000422633387 296317171 /nfs/dbraw/zinc/31/71/71/296317171.db2.gz IAVSDRGJBOSODK-WDMOLILDSA-N 2 1 310.463 2.648 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OC(F)F ZINC000422689196 296317806 /nfs/dbraw/zinc/31/78/06/296317806.db2.gz DWQJOUAHIFKLBQ-VXGBXAGGSA-N 2 1 300.349 2.656 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000623502849 399403688 /nfs/dbraw/zinc/40/36/88/399403688.db2.gz AWUDQEOWMFREKD-WBVHZDCISA-N 2 1 321.509 2.773 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000623502849 399403689 /nfs/dbraw/zinc/40/36/89/399403689.db2.gz AWUDQEOWMFREKD-WBVHZDCISA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000268914149 207081551 /nfs/dbraw/zinc/08/15/51/207081551.db2.gz ILORYHGMVJOYQA-AEFFLSMTSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC(C)(C)CCO ZINC000268914149 207081553 /nfs/dbraw/zinc/08/15/53/207081553.db2.gz ILORYHGMVJOYQA-AEFFLSMTSA-N 2 1 304.478 2.895 20 0 DFADMP CCC[N@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000619900369 399403244 /nfs/dbraw/zinc/40/32/44/399403244.db2.gz ZSZOQRYSBRKCDI-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623505801 399404485 /nfs/dbraw/zinc/40/44/85/399404485.db2.gz QOOCDIUFIBMSCC-JKSUJKDBSA-N 2 1 304.482 2.784 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268962829 207125984 /nfs/dbraw/zinc/12/59/84/207125984.db2.gz GBNFZUKTSJTCKW-DLBZAZTESA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000268962829 207125989 /nfs/dbraw/zinc/12/59/89/207125989.db2.gz GBNFZUKTSJTCKW-DLBZAZTESA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268962829 207125991 /nfs/dbraw/zinc/12/59/91/207125991.db2.gz GBNFZUKTSJTCKW-DLBZAZTESA-N 2 1 318.461 2.880 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422721609 296321261 /nfs/dbraw/zinc/32/12/61/296321261.db2.gz VURTUSDODBPCSI-FUHWJXTLSA-N 2 1 324.472 2.709 20 0 DFADMP C(C1CC1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422724957 296322070 /nfs/dbraw/zinc/32/20/70/296322070.db2.gz XGNKLAZNZUPRSL-OTWHNJEPSA-N 3 1 305.510 2.761 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCN[C@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422730987 296323278 /nfs/dbraw/zinc/32/32/78/296323278.db2.gz MXXBNXJJFNQNRV-BHIYHBOVSA-N 2 1 303.494 2.799 20 0 DFADMP C[C@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000623634930 399432595 /nfs/dbraw/zinc/43/25/95/399432595.db2.gz IGYKJEJUIXMDDT-YTQUADARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](NC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000623634930 399432599 /nfs/dbraw/zinc/43/25/99/399432599.db2.gz IGYKJEJUIXMDDT-YTQUADARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCCN2C)CCN1Cc1ccccc1 ZINC000623634930 399432602 /nfs/dbraw/zinc/43/26/02/399432602.db2.gz IGYKJEJUIXMDDT-YTQUADARSA-N 2 1 301.478 2.723 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623654961 399435861 /nfs/dbraw/zinc/43/58/61/399435861.db2.gz LEGVXVRBNYRXLI-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP COc1cc(OC)c(OC)cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623654961 399435864 /nfs/dbraw/zinc/43/58/64/399435864.db2.gz LEGVXVRBNYRXLI-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656046 399436716 /nfs/dbraw/zinc/43/67/16/399436716.db2.gz LRUMKYGQDJYSNU-MRXNPFEDSA-N 2 1 306.450 2.533 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656046 399436720 /nfs/dbraw/zinc/43/67/20/399436720.db2.gz LRUMKYGQDJYSNU-MRXNPFEDSA-N 2 1 306.450 2.533 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000623656259 399436835 /nfs/dbraw/zinc/43/68/35/399436835.db2.gz QKDGTCIIBLQRGO-INIZCTEOSA-N 2 1 310.445 2.965 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000623656259 399436838 /nfs/dbraw/zinc/43/68/38/399436838.db2.gz QKDGTCIIBLQRGO-INIZCTEOSA-N 2 1 310.445 2.965 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000623656061 399436852 /nfs/dbraw/zinc/43/68/52/399436852.db2.gz MEEFXOIMTKGFRY-HNNXBMFYSA-N 2 1 304.434 2.669 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000623656061 399436854 /nfs/dbraw/zinc/43/68/54/399436854.db2.gz MEEFXOIMTKGFRY-HNNXBMFYSA-N 2 1 304.434 2.669 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129722 207262939 /nfs/dbraw/zinc/26/29/39/207262939.db2.gz IUIZWJAEZCFJTC-PKOBYXMFSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129722 207262942 /nfs/dbraw/zinc/26/29/42/207262942.db2.gz IUIZWJAEZCFJTC-PKOBYXMFSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129722 207262946 /nfs/dbraw/zinc/26/29/46/207262946.db2.gz IUIZWJAEZCFJTC-PKOBYXMFSA-N 2 1 302.462 2.843 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129720 207263117 /nfs/dbraw/zinc/26/31/17/207263117.db2.gz IUIZWJAEZCFJTC-MJGOQNOKSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129720 207263121 /nfs/dbraw/zinc/26/31/21/207263121.db2.gz IUIZWJAEZCFJTC-MJGOQNOKSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129720 207263124 /nfs/dbraw/zinc/26/31/24/207263124.db2.gz IUIZWJAEZCFJTC-MJGOQNOKSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000063165936 184275280 /nfs/dbraw/zinc/27/52/80/184275280.db2.gz SMCCGGKJHAAKQU-UHFFFAOYSA-N 2 1 309.841 2.518 20 0 DFADMP C[NH+](C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000269188665 207309085 /nfs/dbraw/zinc/30/90/85/207309085.db2.gz GOTTYBIQNWZBMK-GOSISDBHSA-N 2 1 309.413 2.574 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCC[C@H](C)C2)CC1 ZINC000052208892 425883967 /nfs/dbraw/zinc/88/39/67/425883967.db2.gz MZIITSWELPZXTK-KRWDZBQOSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1 ZINC000269200960 207320273 /nfs/dbraw/zinc/32/02/73/207320273.db2.gz KHDVLBGPFOCAEZ-MAUKXSAKSA-N 2 1 317.477 2.728 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OCC)[nH]2)CC1 ZINC000602535914 399470028 /nfs/dbraw/zinc/47/00/28/399470028.db2.gz OVYJWFMTWZMUML-UHFFFAOYSA-N 2 1 307.438 2.546 20 0 DFADMP CC[C@H](NC[C@H](c1ccccc1OC)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422740668 296324375 /nfs/dbraw/zinc/32/43/75/296324375.db2.gz CGJDXTMMVKSYLF-OKZBNKHCSA-N 2 1 319.493 2.808 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000422738522 296324052 /nfs/dbraw/zinc/32/40/52/296324052.db2.gz JOBAXRSLEQYDAQ-UHOSZYNNSA-N 2 1 317.477 2.562 20 0 DFADMP COC(=O)c1csc(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000602551210 399473956 /nfs/dbraw/zinc/47/39/56/399473956.db2.gz NVFLAZFAMXMAMM-UHFFFAOYSA-N 2 1 307.419 2.610 20 0 DFADMP C[NH+]1CCC(CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422742244 296324551 /nfs/dbraw/zinc/32/45/51/296324551.db2.gz PUEDPSQZTYWLHA-OALUTQOASA-N 3 1 301.478 2.801 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000269230836 207353832 /nfs/dbraw/zinc/35/38/32/207353832.db2.gz IDFVLCRHLZIRFE-RHSMWYFYSA-N 2 1 303.450 2.840 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3cnccc3N)CC2)[nH+]1 ZINC000422752646 296327062 /nfs/dbraw/zinc/32/70/62/296327062.db2.gz CUUNZYLJFPANKY-AWEZNQCLSA-N 2 1 311.433 2.517 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCCO1 ZINC000623855662 399480624 /nfs/dbraw/zinc/48/06/24/399480624.db2.gz FBNVOOGGCNQAAN-LPHOPBHVSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCCO1 ZINC000623855662 399480626 /nfs/dbraw/zinc/48/06/26/399480626.db2.gz FBNVOOGGCNQAAN-LPHOPBHVSA-N 2 1 302.462 2.982 20 0 DFADMP C[NH+](C)C1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000623851535 399479413 /nfs/dbraw/zinc/47/94/13/399479413.db2.gz AQCKLSCIRWWKMI-UHFFFAOYSA-N 2 1 323.444 2.527 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000602574744 399480079 /nfs/dbraw/zinc/48/00/79/399480079.db2.gz MQDRPWAPGHLZNJ-AWEZNQCLSA-N 2 1 324.490 2.992 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000602574744 399480084 /nfs/dbraw/zinc/48/00/84/399480084.db2.gz MQDRPWAPGHLZNJ-AWEZNQCLSA-N 2 1 324.490 2.992 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000422766425 296329627 /nfs/dbraw/zinc/32/96/27/296329627.db2.gz XIBFMHZTKUELOR-PBHICJAKSA-N 2 1 312.413 2.506 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C)O[C@@H](C)C2 ZINC000422777727 296331659 /nfs/dbraw/zinc/33/16/59/296331659.db2.gz GIJPCPFEKGVBJU-GRDNDAEWSA-N 2 1 318.461 2.886 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000422781642 296331791 /nfs/dbraw/zinc/33/17/91/296331791.db2.gz LZGZOOMMWYASEP-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(C)CC1 ZINC000422781065 296332037 /nfs/dbraw/zinc/33/20/37/296332037.db2.gz KDMPBXFJMJTFSZ-OAHLLOKOSA-N 3 1 304.482 2.621 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000623902757 399490690 /nfs/dbraw/zinc/49/06/90/399490690.db2.gz PFDIXBYPQUAMAT-WMLDXEAASA-N 2 1 318.465 2.609 20 0 DFADMP CC[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422786032 296332773 /nfs/dbraw/zinc/33/27/73/296332773.db2.gz NZVZSIFBEQAMIF-VQIMIIECSA-N 2 1 303.494 2.657 20 0 DFADMP CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)[C@@H]1CCCC[NH2+]1 ZINC000422790196 296333384 /nfs/dbraw/zinc/33/33/84/296333384.db2.gz XIVPEUOULRSCFU-IRXDYDNUSA-N 2 1 306.450 2.757 20 0 DFADMP C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCC[NH2+]1 ZINC000422795749 296334323 /nfs/dbraw/zinc/33/43/23/296334323.db2.gz WOMBRDFTTZKICW-KBXCAEBGSA-N 2 1 316.424 2.674 20 0 DFADMP CC[C@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422801468 296335576 /nfs/dbraw/zinc/33/55/76/296335576.db2.gz BZKJSABIYSSHRS-LZQZEXGQSA-N 2 1 301.478 2.553 20 0 DFADMP C[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)c1c[nH+]ccc1N ZINC000422801127 296335634 /nfs/dbraw/zinc/33/56/34/296335634.db2.gz BEGUZBDAOYICJF-ZDUSSCGKSA-N 2 1 321.428 2.959 20 0 DFADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422809073 296337073 /nfs/dbraw/zinc/33/70/73/296337073.db2.gz RFPPJAVJRQWFCJ-GVDBMIGSSA-N 2 1 304.434 2.714 20 0 DFADMP CC[C@@H]([NH2+]CCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]1 ZINC000422812601 296337695 /nfs/dbraw/zinc/33/76/95/296337695.db2.gz WRXCFGJGNLHEDD-ZJUUUORDSA-N 2 1 307.385 2.825 20 0 DFADMP CC[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422814130 296338021 /nfs/dbraw/zinc/33/80/21/296338021.db2.gz ZQORTVOEWWXQQT-QRQLOZEOSA-N 2 1 301.478 2.540 20 0 DFADMP CC[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422814130 296338023 /nfs/dbraw/zinc/33/80/23/296338023.db2.gz ZQORTVOEWWXQQT-QRQLOZEOSA-N 2 1 301.478 2.540 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841499 399506362 /nfs/dbraw/zinc/50/63/62/399506362.db2.gz LHGJUDZXVRSKEG-JKIFEVAISA-N 2 1 317.477 2.665 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841499 399506365 /nfs/dbraw/zinc/50/63/65/399506365.db2.gz LHGJUDZXVRSKEG-JKIFEVAISA-N 2 1 317.477 2.665 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000422819305 296339006 /nfs/dbraw/zinc/33/90/06/296339006.db2.gz MPRBHEMHQPVUKD-AWEZNQCLSA-N 3 1 304.482 2.620 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818928 296339189 /nfs/dbraw/zinc/33/91/89/296339189.db2.gz HNEVZVRHUBEQIQ-UONOGXRCSA-N 2 1 302.340 2.735 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000631841422 399506725 /nfs/dbraw/zinc/50/67/25/399506725.db2.gz KKGPDCTYYSEGHU-YJBOKZPZSA-N 2 1 323.440 2.966 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818514 296339196 /nfs/dbraw/zinc/33/91/96/296339196.db2.gz GOMMXGSQLLFNDW-LMMKCTJWSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422818514 296339197 /nfs/dbraw/zinc/33/91/97/296339197.db2.gz GOMMXGSQLLFNDW-LMMKCTJWSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818514 296339198 /nfs/dbraw/zinc/33/91/98/296339198.db2.gz GOMMXGSQLLFNDW-LMMKCTJWSA-N 3 1 303.494 2.875 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842249 399506926 /nfs/dbraw/zinc/50/69/26/399506926.db2.gz XNUGYILXJQOAMK-RDBSUJKOSA-N 2 1 300.406 2.633 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842249 399506931 /nfs/dbraw/zinc/50/69/31/399506931.db2.gz XNUGYILXJQOAMK-RDBSUJKOSA-N 2 1 300.406 2.633 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000422820845 296339452 /nfs/dbraw/zinc/33/94/52/296339452.db2.gz SOHOKRNVBPAMNH-CVEARBPZSA-N 2 1 309.498 2.678 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OCC(F)(F)F ZINC000422825358 296340116 /nfs/dbraw/zinc/34/01/16/296340116.db2.gz JPBLNNAYRMVPAN-RYUDHWBXSA-N 2 1 318.339 2.606 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422831127 296340961 /nfs/dbraw/zinc/34/09/61/296340961.db2.gz WHXKTNCGLXDCER-GDBMZVCRSA-N 2 1 318.461 2.856 20 0 DFADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nncn2C)CC1)CC1CC1 ZINC000347011830 285001263 /nfs/dbraw/zinc/00/12/63/285001263.db2.gz MPUXNPGGQPPQTA-HNNXBMFYSA-N 2 1 319.497 2.710 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nncn2C)CC1)CC1CC1 ZINC000347011830 285001267 /nfs/dbraw/zinc/00/12/67/285001267.db2.gz MPUXNPGGQPPQTA-HNNXBMFYSA-N 2 1 319.497 2.710 20 0 DFADMP CC[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834051 296341657 /nfs/dbraw/zinc/34/16/57/296341657.db2.gz NGDAMSRRFTWZDK-FHWLQOOXSA-N 2 1 301.478 2.771 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422836181 296342038 /nfs/dbraw/zinc/34/20/38/296342038.db2.gz JKXVQIVCBTXOCT-YQQAZPJKSA-N 2 1 307.507 2.677 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422836181 296342039 /nfs/dbraw/zinc/34/20/39/296342039.db2.gz JKXVQIVCBTXOCT-YQQAZPJKSA-N 2 1 307.507 2.677 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000422862114 296346418 /nfs/dbraw/zinc/34/64/18/296346418.db2.gz NKUBCIQLQRLFFB-DFEOGRTESA-N 2 1 303.494 2.797 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422862815 296346736 /nfs/dbraw/zinc/34/67/36/296346736.db2.gz QKQMBTXFCHEGRP-UKRRQHHQSA-N 2 1 306.450 2.712 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866511 296346976 /nfs/dbraw/zinc/34/69/76/296346976.db2.gz QLQUTAWKDNYOKM-CVEARBPZSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H](NCc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866511 296346978 /nfs/dbraw/zinc/34/69/78/296346978.db2.gz QLQUTAWKDNYOKM-CVEARBPZSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@H](NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866511 296346979 /nfs/dbraw/zinc/34/69/79/296346979.db2.gz QLQUTAWKDNYOKM-CVEARBPZSA-N 2 1 301.478 2.616 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000422858281 296345855 /nfs/dbraw/zinc/34/58/55/296345855.db2.gz IHASPGMILVIDLF-DZGCQCFKSA-N 2 1 306.450 2.569 20 0 DFADMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422859969 296346098 /nfs/dbraw/zinc/34/60/98/296346098.db2.gz KTOUVDUAEVLFKJ-YESZJQIVSA-N 2 1 302.466 2.548 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422872980 296348071 /nfs/dbraw/zinc/34/80/71/296348071.db2.gz JJKINCHJXFZFOF-FZMZJTMJSA-N 2 1 314.376 2.774 20 0 DFADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3C[NH2+]CC[C@H]3C)cc2)n1 ZINC000422869565 296347727 /nfs/dbraw/zinc/34/77/27/296347727.db2.gz XNGUHRMHFNRXQK-KUHUBIRLSA-N 2 1 312.461 2.619 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCCCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000422873376 296348334 /nfs/dbraw/zinc/34/83/34/296348334.db2.gz LEEOQSKOFYSKBH-LULLPPNCSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000422873376 296348337 /nfs/dbraw/zinc/34/83/37/296348337.db2.gz LEEOQSKOFYSKBH-LULLPPNCSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422878071 296349017 /nfs/dbraw/zinc/34/90/17/296349017.db2.gz IVQXDMREIPIQIX-APAFKAMOSA-N 2 1 307.526 2.865 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422878071 296349019 /nfs/dbraw/zinc/34/90/19/296349019.db2.gz IVQXDMREIPIQIX-APAFKAMOSA-N 3 1 307.526 2.865 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422878071 296349020 /nfs/dbraw/zinc/34/90/20/296349020.db2.gz IVQXDMREIPIQIX-APAFKAMOSA-N 3 1 307.526 2.865 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000119666029 195013790 /nfs/dbraw/zinc/01/37/90/195013790.db2.gz PKCWJJSKAXDHBZ-HNNXBMFYSA-N 2 1 318.461 2.989 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@H]2C[NH3+])cc1F ZINC000422899837 296352852 /nfs/dbraw/zinc/35/28/52/296352852.db2.gz IHECPJKQUJLGSC-HOCLYGCPSA-N 3 1 302.397 2.537 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000422900552 296353117 /nfs/dbraw/zinc/35/31/17/296353117.db2.gz JOLAKUINJJPUKO-DLBZAZTESA-N 2 1 305.466 2.531 20 0 DFADMP C[C@@H]([NH2+]CCc1ccc(OC(F)(F)F)cc1)[C@H]1CCC[NH2+]1 ZINC000422894134 296351859 /nfs/dbraw/zinc/35/18/59/296351859.db2.gz SICROFRVLWWTSV-BXUZGUMPSA-N 2 1 302.340 2.858 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000119727819 195026699 /nfs/dbraw/zinc/02/66/99/195026699.db2.gz QSEKJSKJKNBKNZ-AWEZNQCLSA-N 2 1 311.433 2.545 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422904030 296353917 /nfs/dbraw/zinc/35/39/17/296353917.db2.gz GKZYDLCNZREVFJ-IPELMVKDSA-N 2 1 319.493 2.808 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422907231 296354235 /nfs/dbraw/zinc/35/42/35/296354235.db2.gz LDWZEEDNRYDQNW-AKPRKHDMSA-N 2 1 301.478 2.897 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422907231 296354236 /nfs/dbraw/zinc/35/42/36/296354236.db2.gz LDWZEEDNRYDQNW-AKPRKHDMSA-N 3 1 301.478 2.897 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422907231 296354238 /nfs/dbraw/zinc/35/42/38/296354238.db2.gz LDWZEEDNRYDQNW-AKPRKHDMSA-N 3 1 301.478 2.897 20 0 DFADMP C[C@@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@H]1CCC[NH2+]1 ZINC000422912199 296354799 /nfs/dbraw/zinc/35/47/99/296354799.db2.gz MOUGAZHVJGYKLK-VXGBXAGGSA-N 2 1 308.376 2.704 20 0 DFADMP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422912733 296355048 /nfs/dbraw/zinc/35/50/48/296355048.db2.gz WZMAQTXYZOGNPF-NWANDNLSSA-N 2 1 323.868 2.657 20 0 DFADMP C[C@@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@@H]1CCC[NH2+]1 ZINC000422933686 296357095 /nfs/dbraw/zinc/35/70/95/296357095.db2.gz IDQBYJJRKNWBRD-YGRLFVJLSA-N 2 1 315.230 2.861 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ncccc1Cl ZINC000422931565 296357119 /nfs/dbraw/zinc/35/71/19/296357119.db2.gz XVCKSWIKRLPZKA-CJNGLKHVSA-N 2 1 319.836 2.662 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000422933992 296357308 /nfs/dbraw/zinc/35/73/08/296357308.db2.gz BWQDHULILNQWOJ-LUKYLMHMSA-N 3 1 319.493 2.511 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000422933992 296357309 /nfs/dbraw/zinc/35/73/09/296357309.db2.gz BWQDHULILNQWOJ-LUKYLMHMSA-N 2 1 319.493 2.511 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1sccc1Br ZINC000422937938 296358081 /nfs/dbraw/zinc/35/80/81/296358081.db2.gz DJCOVBBHPQTOJY-GXSJLCMTSA-N 2 1 303.269 2.988 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H](C)C[C@H](C)[NH3+])c1 ZINC000422935973 296357625 /nfs/dbraw/zinc/35/76/25/296357625.db2.gz LLDVPYCXTMULHP-VHSXEESVSA-N 2 1 301.228 2.673 20 0 DFADMP c1cn(Cc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000269994036 208047794 /nfs/dbraw/zinc/04/77/94/208047794.db2.gz VRYKAIGVSHGYHX-RBUKOAKNSA-N 2 1 310.445 2.648 20 0 DFADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422946665 296359321 /nfs/dbraw/zinc/35/93/21/296359321.db2.gz XAEYGXJHOXKWEQ-ROUUACIJSA-N 2 1 317.477 2.966 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422952573 296360415 /nfs/dbraw/zinc/36/04/15/296360415.db2.gz BIDLROIKGNYDCO-XUWVNRHRSA-N 2 1 305.466 2.834 20 0 DFADMP C[C@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422958900 296361124 /nfs/dbraw/zinc/36/11/24/296361124.db2.gz ZHDFPDQQIZARQS-RCJHGTSTSA-N 2 1 317.477 2.848 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000422966206 296362324 /nfs/dbraw/zinc/36/23/24/296362324.db2.gz QZGXQUKNFLUJQY-ZACQAIPSSA-N 2 1 305.466 2.784 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422991259 296364489 /nfs/dbraw/zinc/36/44/89/296364489.db2.gz AQYDNPMOQWSQNV-RDJZCZTQSA-N 2 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000422991259 296364490 /nfs/dbraw/zinc/36/44/90/296364490.db2.gz AQYDNPMOQWSQNV-RDJZCZTQSA-N 2 1 318.509 2.867 20 0 DFADMP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCCN1 ZINC000422989032 296364557 /nfs/dbraw/zinc/36/45/57/296364557.db2.gz LKOVXCGCROOHDO-OALUTQOASA-N 2 1 316.493 2.808 20 0 DFADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)OC ZINC000422991450 296364676 /nfs/dbraw/zinc/36/46/76/296364676.db2.gz BBAKJRNGARIVGW-BDXSIMOUSA-N 2 1 312.498 2.574 20 0 DFADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000422993780 296364930 /nfs/dbraw/zinc/36/49/30/296364930.db2.gz GFGKAOIPCHOCCQ-SIXWZSSISA-N 2 1 312.461 2.842 20 0 DFADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000423001414 296366075 /nfs/dbraw/zinc/36/60/75/296366075.db2.gz WXVITGPUNOOMOL-IPMKNSEASA-N 2 1 314.473 2.756 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422996007 296365319 /nfs/dbraw/zinc/36/53/19/296365319.db2.gz RZMMYVUFMGLXCC-LTDCPUDJSA-N 2 1 318.461 2.893 20 0 DFADMP COc1ccc(COCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422998945 296365411 /nfs/dbraw/zinc/36/54/11/296365411.db2.gz XAJRDVLVDIEQSO-OALUTQOASA-N 2 1 312.413 2.946 20 0 DFADMP Fc1cccnc1OCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422998044 296365651 /nfs/dbraw/zinc/36/56/51/296365651.db2.gz PIPNOAFIRLUOCL-NVXWUHKLSA-N 2 1 315.392 2.682 20 0 DFADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423014471 296367884 /nfs/dbraw/zinc/36/78/84/296367884.db2.gz PEVYUJYKBLUIPX-BRWVUGGUSA-N 2 1 302.466 2.548 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423026689 296369135 /nfs/dbraw/zinc/36/91/35/296369135.db2.gz BYCLZISVVRXXPP-SXLOBPIMSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423026689 296369136 /nfs/dbraw/zinc/36/91/36/296369136.db2.gz BYCLZISVVRXXPP-SXLOBPIMSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423026689 296369138 /nfs/dbraw/zinc/36/91/38/296369138.db2.gz BYCLZISVVRXXPP-SXLOBPIMSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423026687 296369362 /nfs/dbraw/zinc/36/93/62/296369362.db2.gz BYCLZISVVRXXPP-DFQSSKMNSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423026687 296369364 /nfs/dbraw/zinc/36/93/64/296369364.db2.gz BYCLZISVVRXXPP-DFQSSKMNSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000423026687 296369366 /nfs/dbraw/zinc/36/93/66/296369366.db2.gz BYCLZISVVRXXPP-DFQSSKMNSA-N 3 1 313.489 2.629 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000423022477 296368796 /nfs/dbraw/zinc/36/87/96/296368796.db2.gz HSOPZBABBBMTIZ-KGLIPLIRSA-N 2 1 315.417 2.868 20 0 DFADMP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCn1cc[nH+]c1C)CC3 ZINC000273081343 210461720 /nfs/dbraw/zinc/46/17/20/210461720.db2.gz PHMIDWGYIIKESB-AWEZNQCLSA-N 2 1 324.428 2.829 20 0 DFADMP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCn1cc[nH+]c1C)CC3 ZINC000273081347 210461235 /nfs/dbraw/zinc/46/12/35/210461235.db2.gz PHMIDWGYIIKESB-CQSZACIVSA-N 2 1 324.428 2.829 20 0 DFADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CO2 ZINC000624070618 399542569 /nfs/dbraw/zinc/54/25/69/399542569.db2.gz LFHWPAFYBBHEPZ-CWLKWCNXSA-N 2 1 300.446 2.761 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423046097 296371647 /nfs/dbraw/zinc/37/16/47/296371647.db2.gz DCXWACNAPIUKHD-FUHWJXTLSA-N 2 1 302.462 2.961 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C1C[NH2+]C1 ZINC000423048294 296371755 /nfs/dbraw/zinc/37/17/55/296371755.db2.gz IHJCUFLKGLSWKZ-XHDPSFHLSA-N 2 1 315.383 2.506 20 0 DFADMP CCC(CC)(C[NH2+][C@@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423056530 296372842 /nfs/dbraw/zinc/37/28/42/296372842.db2.gz YEYGORBKCHTWOB-OAHLLOKOSA-N 2 1 306.450 2.713 20 0 DFADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423071236 296374963 /nfs/dbraw/zinc/37/49/63/296374963.db2.gz HMIWNLYQIOXWEF-IPMKNSEASA-N 2 1 300.446 2.811 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423081989 296376077 /nfs/dbraw/zinc/37/60/77/296376077.db2.gz CGCJEKFFITZURJ-QRVBRYPASA-N 3 1 301.478 2.758 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423075470 296375418 /nfs/dbraw/zinc/37/54/18/296375418.db2.gz WWVFFXCDMOQWNX-VDHUWJSZSA-N 2 1 316.445 2.565 20 0 DFADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423087334 296376639 /nfs/dbraw/zinc/37/66/39/296376639.db2.gz PERJAEVMXFPRLT-CQSZACIVSA-N 2 1 312.461 2.695 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1nnc2ccccn21)C(C)C ZINC000347664865 285120774 /nfs/dbraw/zinc/12/07/74/285120774.db2.gz AFPIYZVOMUKDSF-INIZCTEOSA-N 2 1 312.421 2.611 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423110896 296379610 /nfs/dbraw/zinc/37/96/10/296379610.db2.gz WDKKFTXMXQHPRH-WCQYABFASA-N 2 1 317.355 2.500 20 0 DFADMP OCC[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423110179 296379626 /nfs/dbraw/zinc/37/96/26/296379626.db2.gz OSOBOHFMRCIELY-CQSZACIVSA-N 2 1 303.233 2.759 20 0 DFADMP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)ccc2[nH]1 ZINC000423110574 296379687 /nfs/dbraw/zinc/37/96/87/296379687.db2.gz PEKLWOFXVRZRCP-QRQLOZEOSA-N 2 1 313.445 2.723 20 0 DFADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423114638 296379974 /nfs/dbraw/zinc/37/99/74/296379974.db2.gz ZSYUHWACLDHOKT-HNULKUCHSA-N 2 1 314.473 2.988 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000616999856 399561958 /nfs/dbraw/zinc/56/19/58/399561958.db2.gz PCSJTWRIBOIHES-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCC[C@@H]1C[NH3+] ZINC000423115919 296380298 /nfs/dbraw/zinc/38/02/98/296380298.db2.gz ZAAPNJXSQUJTEJ-PWSUYJOCSA-N 2 1 318.339 2.811 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccc21 ZINC000624124094 399562158 /nfs/dbraw/zinc/56/21/58/399562158.db2.gz XEFPGQBHCFXCRZ-AEFFLSMTSA-N 2 1 315.461 2.806 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124153 399562734 /nfs/dbraw/zinc/56/27/34/399562734.db2.gz YPOHPLVPXZGGKJ-QWHCGFSZSA-N 2 1 303.406 2.916 20 0 DFADMP C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000423121151 296380826 /nfs/dbraw/zinc/38/08/26/296380826.db2.gz IAROMUMMZOARHZ-BMGDILEWSA-N 2 1 300.446 2.811 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000423126231 296381562 /nfs/dbraw/zinc/38/15/62/296381562.db2.gz OOVFZEIOXQNQKA-CABCVRRESA-N 2 1 305.466 2.984 20 0 DFADMP C[C@H]([NH2+]C[C@H](CO)c1ccccc1Cl)c1c[nH+]ccc1N ZINC000423122939 296381100 /nfs/dbraw/zinc/38/11/00/296381100.db2.gz KHTSXCMTWWVIST-NWDGAFQWSA-N 2 1 305.809 2.574 20 0 DFADMP C[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000423130308 296382208 /nfs/dbraw/zinc/38/22/08/296382208.db2.gz GPIMJWWYMXJVPD-VIFPVBQESA-N 2 1 301.203 2.991 20 0 DFADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423134018 296382673 /nfs/dbraw/zinc/38/26/73/296382673.db2.gz RGBIHQQXFIAMGH-GPFWEFOESA-N 2 1 318.436 2.818 20 0 DFADMP COc1ncccc1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423140567 296383980 /nfs/dbraw/zinc/38/39/80/296383980.db2.gz MSFIQBXFHJZMKS-QZTJIDSGSA-N 2 1 311.429 2.716 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CCC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423143154 296384164 /nfs/dbraw/zinc/38/41/64/296384164.db2.gz CLZRXAPKQXKWGO-WBVHZDCISA-N 2 1 307.507 2.743 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423137706 296383405 /nfs/dbraw/zinc/38/34/05/296383405.db2.gz WWPZIRAWDLUCTI-STQMWFEESA-N 2 1 300.381 2.563 20 0 DFADMP Clc1cccc(-n2ccnc2)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423147864 296385048 /nfs/dbraw/zinc/38/50/48/296385048.db2.gz SXAJCBPQLALYBY-PBWFPOADSA-N 2 1 316.836 2.898 20 0 DFADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423169241 296387725 /nfs/dbraw/zinc/38/77/25/296387725.db2.gz VVIUBXAQFPMPKR-QZTJIDSGSA-N 2 1 301.478 2.944 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000423188465 296390239 /nfs/dbraw/zinc/39/02/39/296390239.db2.gz ZHCMQEWVCHIEKN-LBPRGKRZSA-N 2 1 311.495 2.953 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2c(c1)OCO2 ZINC000423190249 296390294 /nfs/dbraw/zinc/39/02/94/296390294.db2.gz QSUDBARONVJSIC-CQSZACIVSA-N 2 1 313.401 2.641 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423207756 296392453 /nfs/dbraw/zinc/39/24/53/296392453.db2.gz DMBUSRZPTKWYHL-ILMGOGQSSA-N 2 1 317.433 2.587 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423209654 296392788 /nfs/dbraw/zinc/39/27/88/296392788.db2.gz JBZVVEQMJOPWIG-DZGCQCFKSA-N 2 1 316.424 2.970 20 0 DFADMP C[C@@H]1[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1Cc1ccccc1 ZINC000423209508 296392809 /nfs/dbraw/zinc/39/28/09/296392809.db2.gz GHYGYJQJNQIVPN-QRTFOUQQSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423209508 296392810 /nfs/dbraw/zinc/39/28/10/296392810.db2.gz GHYGYJQJNQIVPN-QRTFOUQQSA-N 2 1 313.489 2.912 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000423219283 296393808 /nfs/dbraw/zinc/39/38/08/296393808.db2.gz SZNSKXHWTIMSIP-KCQAQPDRSA-N 2 1 319.449 2.692 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)Nc1ccccc1 ZINC000157230908 197171627 /nfs/dbraw/zinc/17/16/27/197171627.db2.gz CPORZCTUCIMYNX-SFHVURJKSA-N 2 1 315.461 2.966 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629388750 399591016 /nfs/dbraw/zinc/59/10/16/399591016.db2.gz PLMCUPGWJGHQBL-OWCLPIDISA-N 2 1 306.450 2.755 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000423250887 296396790 /nfs/dbraw/zinc/39/67/90/296396790.db2.gz REFSAPKCSOKRCY-IEBWSBKVSA-N 2 1 315.505 2.671 20 0 DFADMP COC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156962934 197152581 /nfs/dbraw/zinc/15/25/81/197152581.db2.gz JJOILZMNCOXNSQ-AEFFLSMTSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156962934 197152582 /nfs/dbraw/zinc/15/25/82/197152582.db2.gz JJOILZMNCOXNSQ-AEFFLSMTSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156962934 197152584 /nfs/dbraw/zinc/15/25/84/197152584.db2.gz JJOILZMNCOXNSQ-AEFFLSMTSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156962934 197152585 /nfs/dbraw/zinc/15/25/85/197152585.db2.gz JJOILZMNCOXNSQ-AEFFLSMTSA-N 2 1 318.461 2.925 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000629390054 399591752 /nfs/dbraw/zinc/59/17/52/399591752.db2.gz HRGFVMFPGCFWJN-JKSUJKDBSA-N 2 1 309.404 2.664 20 0 DFADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423263636 296398193 /nfs/dbraw/zinc/39/81/93/296398193.db2.gz BFPMOGRACOEBKA-RTBURBONSA-N 2 1 313.445 2.947 20 0 DFADMP CC(C)C[C@H](CN)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258148 296397570 /nfs/dbraw/zinc/39/75/70/296397570.db2.gz BDNKARQKZKCFKC-NVXWUHKLSA-N 2 1 307.482 2.651 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258148 296397572 /nfs/dbraw/zinc/39/75/72/296397572.db2.gz BDNKARQKZKCFKC-NVXWUHKLSA-N 3 1 307.482 2.651 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c1OC ZINC000423260435 296397576 /nfs/dbraw/zinc/39/75/76/296397576.db2.gz HLMYLBUXKJDOTQ-BBRMVZONSA-N 2 1 308.466 2.906 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@@H](C[NH3+])C2CCCCC2)CC1 ZINC000423260440 296397958 /nfs/dbraw/zinc/39/79/58/296397958.db2.gz HMBQLOPWESKVEV-PQUAAJSLSA-N 2 1 310.482 2.996 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)[C@@H]1Oc1ccccc1 ZINC000423262171 296398019 /nfs/dbraw/zinc/39/80/19/296398019.db2.gz LWFUJDMMSXACHJ-SPUZQDLCSA-N 2 1 306.450 2.574 20 0 DFADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408602 399595292 /nfs/dbraw/zinc/59/52/92/399595292.db2.gz XCGODLMOCWOCBD-ISTVAULSSA-N 2 1 315.230 2.859 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC(F)F ZINC000423274673 296399568 /nfs/dbraw/zinc/39/95/68/296399568.db2.gz KSMJNGDTIPAILC-CABZTGNLSA-N 2 1 300.349 2.685 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423267873 296398569 /nfs/dbraw/zinc/39/85/69/296398569.db2.gz UCNHKXNWGUKAFK-KDOFPFPSSA-N 2 1 313.449 2.826 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000423269813 296398952 /nfs/dbraw/zinc/39/89/52/296398952.db2.gz HQCKWXGYHCAOGL-PWSUYJOCSA-N 2 1 302.365 2.931 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@H]1C[NH3+])c1ncc(Br)cc1F ZINC000423269440 296398980 /nfs/dbraw/zinc/39/89/80/296398980.db2.gz HFAPLPRHOUOCPU-AUTRQRHGSA-N 2 1 316.218 2.761 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1ccncc1 ZINC000156476745 197116564 /nfs/dbraw/zinc/11/65/64/197116564.db2.gz GCSLOZFVODRCHJ-KRWDZBQOSA-N 2 1 324.472 2.680 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 ZINC000271655224 209098003 /nfs/dbraw/zinc/09/80/03/209098003.db2.gz CEWTWDVZUWOIAK-RDTXWAMCSA-N 2 1 306.450 2.845 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602844706 399599319 /nfs/dbraw/zinc/59/93/19/399599319.db2.gz DKBCWNPGPITEQE-UHFFFAOYSA-N 2 1 319.449 2.717 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@@H]1CCOC1 ZINC000423326682 296404841 /nfs/dbraw/zinc/40/48/41/296404841.db2.gz JOIPFVMVKFYETK-OQIJWPOYSA-N 2 1 318.461 2.545 20 0 DFADMP C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423323024 296404527 /nfs/dbraw/zinc/40/45/27/296404527.db2.gz HXMPDYWSISQFGB-QFBILLFUSA-N 2 1 319.493 2.667 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624218207 399601708 /nfs/dbraw/zinc/60/17/08/399601708.db2.gz VWXMAWHMZXCOFX-HXLQAJSYSA-N 2 1 300.446 2.543 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C2(C)C[NH2+]C2)c1 ZINC000423334919 296405732 /nfs/dbraw/zinc/40/57/32/296405732.db2.gz SXRSPVYHJNTVQR-UHFFFAOYSA-N 2 1 312.417 2.603 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)[C@H](C)C1 ZINC000155246464 197036459 /nfs/dbraw/zinc/03/64/59/197036459.db2.gz PBYKRZYBZIABEH-IEBWSBKVSA-N 2 1 320.477 2.792 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000423370665 296409926 /nfs/dbraw/zinc/40/99/26/296409926.db2.gz HCENZPXUGSHKPO-AGIUHOORSA-N 2 1 319.840 2.712 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)CCC2 ZINC000423407121 296413347 /nfs/dbraw/zinc/41/33/47/296413347.db2.gz VJQIDXNVCUVTRS-FPMFFAJLSA-N 2 1 320.433 2.730 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1C[C@@]1(C)C(C)C ZINC000356445173 285247579 /nfs/dbraw/zinc/24/75/79/285247579.db2.gz JBTQLKSZJNQHFW-AOIWGVFYSA-N 2 1 323.525 2.543 20 0 DFADMP COC[C@@]1(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CCC[NH2+]1 ZINC000423423396 296415112 /nfs/dbraw/zinc/41/51/12/296415112.db2.gz ZLQKJIYPKVKCSR-ROUUACIJSA-N 2 1 306.450 2.751 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)ccn1 ZINC000347923709 285248209 /nfs/dbraw/zinc/24/82/09/285248209.db2.gz DEXTWGOTMFCCAG-GOEBONIOSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000347923709 285248211 /nfs/dbraw/zinc/24/82/11/285248211.db2.gz DEXTWGOTMFCCAG-GOEBONIOSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294810378 224236033 /nfs/dbraw/zinc/23/60/33/224236033.db2.gz NUDCYTFEKJNZNO-ZIFCJYIRSA-N 2 1 304.478 2.895 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423475836 296419845 /nfs/dbraw/zinc/41/98/45/296419845.db2.gz KQCUNCQLICKALS-BBRMVZONSA-N 2 1 310.388 2.907 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423478177 296419976 /nfs/dbraw/zinc/41/99/76/296419976.db2.gz MWTXERGDZYYKRU-WDEREUQCSA-N 2 1 301.406 2.663 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C12CCCCC2 ZINC000423478651 296420086 /nfs/dbraw/zinc/42/00/86/296420086.db2.gz NMDAGAHGBNWSQJ-RRFJBIMHSA-N 2 1 316.436 2.949 20 0 DFADMP Cc1noc(CCC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347943326 285261447 /nfs/dbraw/zinc/26/14/47/285261447.db2.gz WQLQFPIDOXRAOI-ZFWWWQNUSA-N 2 1 306.454 2.553 20 0 DFADMP COCOc1ccc(OC)cc1C[NH2+][C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000120398849 195157728 /nfs/dbraw/zinc/15/77/28/195157728.db2.gz KPBXEULTHWITHU-JKSUJKDBSA-N 2 1 322.449 2.640 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000268904043 285290382 /nfs/dbraw/zinc/29/03/82/285290382.db2.gz LPLVAARMRVVVSL-IEBWSBKVSA-N 2 1 302.462 2.891 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC)C2)o1 ZINC000624263979 399620032 /nfs/dbraw/zinc/62/00/32/399620032.db2.gz PBCCOGRFPBYENU-HNNXBMFYSA-N 2 1 321.465 2.583 20 0 DFADMP CC[N@@H+](Cc1ccc(CO)o1)Cc1ccc(C[NH+](C)C)cc1 ZINC000289548820 221058488 /nfs/dbraw/zinc/05/84/88/221058488.db2.gz XNLSNYJVULEBJF-UHFFFAOYSA-N 2 1 302.418 2.856 20 0 DFADMP CCn1nccc1C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000289533828 221048336 /nfs/dbraw/zinc/04/83/36/221048336.db2.gz WHNNKFPZDSTQCS-UHFFFAOYSA-N 2 1 300.450 2.987 20 0 DFADMP CCn1nccc1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000289533828 221048337 /nfs/dbraw/zinc/04/83/37/221048337.db2.gz WHNNKFPZDSTQCS-UHFFFAOYSA-N 2 1 300.450 2.987 20 0 DFADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH+]1C ZINC000625728542 399626020 /nfs/dbraw/zinc/62/60/20/399626020.db2.gz XHMLWBVAOGPNBL-VQTJNVASSA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C[C@@H]1CCC[N@@H+]1C ZINC000625728542 399626024 /nfs/dbraw/zinc/62/60/24/399626024.db2.gz XHMLWBVAOGPNBL-VQTJNVASSA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C[C@@H]1CCC[N@H+]1C ZINC000625728542 399626027 /nfs/dbraw/zinc/62/60/27/399626027.db2.gz XHMLWBVAOGPNBL-VQTJNVASSA-N 2 1 315.505 2.923 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000289581363 221082708 /nfs/dbraw/zinc/08/27/08/221082708.db2.gz AMPUIAFLVSKGJW-HUUCEWRRSA-N 2 1 308.441 2.846 20 0 DFADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC(C)C ZINC000120925726 195264816 /nfs/dbraw/zinc/26/48/16/195264816.db2.gz WUSGHFFYFCMGPL-INIZCTEOSA-N 2 1 306.450 2.866 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC(C)C ZINC000120925726 195264818 /nfs/dbraw/zinc/26/48/18/195264818.db2.gz WUSGHFFYFCMGPL-INIZCTEOSA-N 2 1 306.450 2.866 20 0 DFADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)ccc1OC(C)C ZINC000120925726 195264821 /nfs/dbraw/zinc/26/48/21/195264821.db2.gz WUSGHFFYFCMGPL-INIZCTEOSA-N 2 1 306.450 2.866 20 0 DFADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)ccc1OC(C)C ZINC000120925726 195264823 /nfs/dbraw/zinc/26/48/23/195264823.db2.gz WUSGHFFYFCMGPL-INIZCTEOSA-N 2 1 306.450 2.866 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000289669716 221143704 /nfs/dbraw/zinc/14/37/04/221143704.db2.gz IVMIFPHMTKVVQO-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000289669716 221143706 /nfs/dbraw/zinc/14/37/06/221143706.db2.gz IVMIFPHMTKVVQO-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512926 399630355 /nfs/dbraw/zinc/63/03/55/399630355.db2.gz CZOGNTZJCADSGI-NKKGCODLSA-N 2 1 324.852 2.545 20 0 DFADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000629515927 399632030 /nfs/dbraw/zinc/63/20/30/399632030.db2.gz YMGACXKAAIZQTK-QQXKLLMISA-N 2 1 314.473 2.925 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000080195730 542490229 /nfs/dbraw/zinc/49/02/29/542490229.db2.gz QZBNHQKODGAMRA-CQSZACIVSA-N 2 1 318.383 2.657 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000080195730 542490230 /nfs/dbraw/zinc/49/02/30/542490230.db2.gz QZBNHQKODGAMRA-CQSZACIVSA-N 2 1 318.383 2.657 20 0 DFADMP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Cl)ccc1OC ZINC000629521191 399633976 /nfs/dbraw/zinc/63/39/76/399633976.db2.gz MFXBYNWLBIJEKD-AWEZNQCLSA-N 2 1 312.841 2.897 20 0 DFADMP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Cl)ccc1OC ZINC000629521193 399634201 /nfs/dbraw/zinc/63/42/01/399634201.db2.gz MFXBYNWLBIJEKD-CQSZACIVSA-N 2 1 312.841 2.897 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000289913254 221311233 /nfs/dbraw/zinc/31/12/33/221311233.db2.gz ULWOUUMEPICEKU-YXJHDRRASA-N 2 1 316.493 2.809 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000289913254 221311236 /nfs/dbraw/zinc/31/12/36/221311236.db2.gz ULWOUUMEPICEKU-YXJHDRRASA-N 2 1 316.493 2.809 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)[C@H](C)c1ccc(OC)c(OC)c1 ZINC000629528030 399636646 /nfs/dbraw/zinc/63/66/46/399636646.db2.gz NBRJRTIIMRVOCF-DARAHFNDSA-N 2 1 306.450 2.926 20 0 DFADMP Brc1cnccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533233 399638080 /nfs/dbraw/zinc/63/80/80/399638080.db2.gz OMFWLDQZKRQPNW-OLZOCXBDSA-N 2 1 324.266 2.666 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290046014 221399674 /nfs/dbraw/zinc/39/96/74/221399674.db2.gz RGRXNCGMVOIBPO-YOEHRIQHSA-N 2 1 308.853 2.584 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290046014 221399677 /nfs/dbraw/zinc/39/96/77/221399677.db2.gz RGRXNCGMVOIBPO-YOEHRIQHSA-N 2 1 308.853 2.584 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290046014 221399679 /nfs/dbraw/zinc/39/96/79/221399679.db2.gz RGRXNCGMVOIBPO-YOEHRIQHSA-N 2 1 308.853 2.584 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290046014 221399682 /nfs/dbraw/zinc/39/96/82/221399682.db2.gz RGRXNCGMVOIBPO-YOEHRIQHSA-N 2 1 308.853 2.584 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1ccncc1Br)CC[NH2+]CC2 ZINC000629540723 399641283 /nfs/dbraw/zinc/64/12/83/399641283.db2.gz WVDSCIAKJXMEGY-LBPRGKRZSA-N 2 1 324.266 2.808 20 0 DFADMP C[C@@H]1CC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]1 ZINC000629543370 399641315 /nfs/dbraw/zinc/64/13/15/399641315.db2.gz ZPIJLMAAJAMMDS-RUGGUXRKSA-N 2 1 313.489 2.912 20 0 DFADMP C[N@H+](CCOCC[NH3+])Cc1cc(Br)ccc1Cl ZINC000629577876 399654241 /nfs/dbraw/zinc/65/42/41/399654241.db2.gz DTPYGDSNGVPCGJ-UHFFFAOYSA-N 2 1 321.646 2.510 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1cc(Br)ccc1Cl ZINC000629577876 399654244 /nfs/dbraw/zinc/65/42/44/399654244.db2.gz DTPYGDSNGVPCGJ-UHFFFAOYSA-N 2 1 321.646 2.510 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)cc2)n1 ZINC000629585632 399655681 /nfs/dbraw/zinc/65/56/81/399655681.db2.gz ZNDNKKRXYFJUPO-BGYRXZFFSA-N 2 1 324.472 2.921 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nccc2ccccc21 ZINC000624386815 399660310 /nfs/dbraw/zinc/66/03/10/399660310.db2.gz YJPCGQCXMIMQGT-HNNXBMFYSA-N 2 1 300.450 2.919 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc2ccccc21 ZINC000624386815 399660316 /nfs/dbraw/zinc/66/03/16/399660316.db2.gz YJPCGQCXMIMQGT-HNNXBMFYSA-N 2 1 300.450 2.919 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629603536 399660985 /nfs/dbraw/zinc/66/09/85/399660985.db2.gz LZZJZOKDOPTYMA-RDGPPVDQSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@]1(C)C[C@H]2C[C@H]2C1 ZINC000629603536 399660987 /nfs/dbraw/zinc/66/09/87/399660987.db2.gz LZZJZOKDOPTYMA-RDGPPVDQSA-N 2 1 302.462 2.505 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)c2sccc21 ZINC000629545500 399643007 /nfs/dbraw/zinc/64/30/07/399643007.db2.gz BXIWCRNRWKOFBM-UXIGCNINSA-N 2 1 317.462 2.602 20 0 DFADMP COC(=O)[C@H]1CCCCC[N@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000612402195 399643319 /nfs/dbraw/zinc/64/33/19/399643319.db2.gz NSTJMQAKHUFXAK-OAHLLOKOSA-N 2 1 319.430 2.851 20 0 DFADMP COC(=O)[C@H]1CCCCCN1Cc1cc(-n2ccnc2)cs1 ZINC000612402195 399643323 /nfs/dbraw/zinc/64/33/23/399643323.db2.gz NSTJMQAKHUFXAK-OAHLLOKOSA-N 2 1 319.430 2.851 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000629546153 399643560 /nfs/dbraw/zinc/64/35/60/399643560.db2.gz NNCJSRKFZBPOJW-JVLSTEMRSA-N 2 1 309.251 2.646 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000629546053 399643633 /nfs/dbraw/zinc/64/36/33/399643633.db2.gz OAXVAQADTYUXQX-NJZAAPMLSA-N 2 1 311.832 2.788 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000629548260 399643644 /nfs/dbraw/zinc/64/36/44/399643644.db2.gz YIDYTWFUHICHBT-FKICDVMDSA-N 2 1 313.489 2.770 20 0 DFADMP CCCc1ccc([C@@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000629547334 399644267 /nfs/dbraw/zinc/64/42/67/399644267.db2.gz MRDAIRGRJHPTEF-RDTXWAMCSA-N 2 1 313.449 2.616 20 0 DFADMP CC(C)(C)OCc1cccc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1 ZINC000629558594 399647538 /nfs/dbraw/zinc/64/75/38/399647538.db2.gz KCBCZTCQJGCMKI-GOSISDBHSA-N 2 1 320.477 2.548 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561864 399650541 /nfs/dbraw/zinc/65/05/41/399650541.db2.gz KBLXLSPWFCRTJJ-OCCSQVGLSA-N 2 1 302.340 2.654 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561864 399650547 /nfs/dbraw/zinc/65/05/47/399650547.db2.gz KBLXLSPWFCRTJJ-OCCSQVGLSA-N 2 1 302.340 2.654 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(Br)cc1 ZINC000629572065 399651659 /nfs/dbraw/zinc/65/16/59/399651659.db2.gz VKKMRTKNENOKSP-LBPRGKRZSA-N 2 1 315.255 2.678 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000629568312 399652395 /nfs/dbraw/zinc/65/23/95/399652395.db2.gz JAXHZJHSCVUUCJ-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1coc(-c2cccc(Cl)c2)n1 ZINC000629568312 399652398 /nfs/dbraw/zinc/65/23/98/399652398.db2.gz JAXHZJHSCVUUCJ-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)CCCc1cccc2ccccc21 ZINC000629571455 399652507 /nfs/dbraw/zinc/65/25/07/399652507.db2.gz METCAANLRNUCHZ-UHFFFAOYSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(OC(C)C)c(Cl)c1 ZINC000629571798 399652513 /nfs/dbraw/zinc/65/25/13/399652513.db2.gz JHQLASQCFUTQLA-UHFFFAOYSA-N 2 1 314.857 2.795 20 0 DFADMP CC1(C)Cc2cc(C[N@@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)ccc2O1 ZINC000629663527 399680953 /nfs/dbraw/zinc/68/09/53/399680953.db2.gz GUDMQHHHZPXOJX-KDURUIRLSA-N 2 1 300.446 2.832 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)ccc2O1 ZINC000629663527 399680960 /nfs/dbraw/zinc/68/09/60/399680960.db2.gz GUDMQHHHZPXOJX-KDURUIRLSA-N 2 1 300.446 2.832 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000632517545 399682053 /nfs/dbraw/zinc/68/20/53/399682053.db2.gz MMPDROXXLJFHOJ-DZJNRPSUSA-N 2 1 317.477 2.524 20 0 DFADMP COc1ccc(-c2ccccc2)cc1C[N@@H+](C)CCOCC[NH3+] ZINC000629663970 399682180 /nfs/dbraw/zinc/68/21/80/399682180.db2.gz JAIGBQCRWNCHTA-UHFFFAOYSA-N 2 1 314.429 2.769 20 0 DFADMP COC(=O)c1coc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1 ZINC000603111574 399683790 /nfs/dbraw/zinc/68/37/90/399683790.db2.gz RTRWUGDWNXNTLZ-UHFFFAOYSA-N 2 1 308.422 2.764 20 0 DFADMP Cc1nn(C)c(N(C)C)c1CNCCC[N@@H+](C)C1CCCCC1 ZINC000624510442 399695754 /nfs/dbraw/zinc/69/57/54/399695754.db2.gz JILHSSUJRARKNV-UHFFFAOYSA-N 2 1 321.513 2.539 20 0 DFADMP COC(=O)c1occc1C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109517 399683937 /nfs/dbraw/zinc/68/39/37/399683937.db2.gz CNZGFQFURQWIHB-UHFFFAOYSA-N 2 1 308.422 2.764 20 0 DFADMP COC(=O)c1occc1C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000603109517 399683939 /nfs/dbraw/zinc/68/39/39/399683939.db2.gz CNZGFQFURQWIHB-UHFFFAOYSA-N 2 1 308.422 2.764 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)c1ccccc1 ZINC000617351788 399675307 /nfs/dbraw/zinc/67/53/07/399675307.db2.gz PKLSVADIWOOJRS-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)c1ccccc1 ZINC000617351788 399675310 /nfs/dbraw/zinc/67/53/10/399675310.db2.gz PKLSVADIWOOJRS-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351788 399675312 /nfs/dbraw/zinc/67/53/12/399675312.db2.gz PKLSVADIWOOJRS-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351788 399675316 /nfs/dbraw/zinc/67/53/16/399675316.db2.gz PKLSVADIWOOJRS-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629654363 399676421 /nfs/dbraw/zinc/67/64/21/399676421.db2.gz HUMVOINEHIQLFT-UONOGXRCSA-N 2 1 316.367 2.963 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629654363 399676422 /nfs/dbraw/zinc/67/64/22/399676422.db2.gz HUMVOINEHIQLFT-UONOGXRCSA-N 2 1 316.367 2.963 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(Br)c1F ZINC000294988143 224362110 /nfs/dbraw/zinc/36/21/10/224362110.db2.gz HJEABMWBNJMFED-UHFFFAOYSA-N 2 1 312.186 2.883 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000378443237 285337903 /nfs/dbraw/zinc/33/79/03/285337903.db2.gz RRNCCQVNURNZIO-FFZOFVMBSA-N 2 1 314.473 2.843 20 0 DFADMP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000617506782 399720695 /nfs/dbraw/zinc/72/06/95/399720695.db2.gz ZBEDOVAUTRBWOW-KRWDZBQOSA-N 2 1 319.493 2.614 20 0 DFADMP Cc1cc(C)c(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000617506782 399720696 /nfs/dbraw/zinc/72/06/96/399720696.db2.gz ZBEDOVAUTRBWOW-KRWDZBQOSA-N 2 1 319.493 2.614 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348104121 285351977 /nfs/dbraw/zinc/35/19/77/285351977.db2.gz CSEMIUUNFXWFMU-OLZOCXBDSA-N 2 1 305.344 2.671 20 0 DFADMP COc1ccc(OC(F)F)c(CN(C)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000120955631 195271115 /nfs/dbraw/zinc/27/11/15/195271115.db2.gz UXDMPWQGUWQXMA-LBPRGKRZSA-N 2 1 314.376 2.680 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC000121773155 195344863 /nfs/dbraw/zinc/34/48/63/195344863.db2.gz MWRYZTPLSVFYAP-QGZVFWFLSA-N 2 1 311.514 2.543 20 0 DFADMP CCn1nc(C)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)c1C ZINC000121773148 195345255 /nfs/dbraw/zinc/34/52/55/195345255.db2.gz ORKHEWOZCWWWKS-UHFFFAOYSA-N 2 1 315.465 2.708 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H](C)C(=O)NC(C)(C)C ZINC000626062636 399741626 /nfs/dbraw/zinc/74/16/26/399741626.db2.gz ZSTMGQSIXKHGID-OAHLLOKOSA-N 2 1 319.493 2.873 20 0 DFADMP C[C@@H]([NH2+]CC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309714444 533367773 /nfs/dbraw/zinc/36/77/73/533367773.db2.gz LFOUIKSXTPJYFT-APWZRJJASA-N 2 1 302.462 2.913 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n(CCc2ccccc2)n1 ZINC000621328408 399755323 /nfs/dbraw/zinc/75/53/23/399755323.db2.gz QTSZOIBYYJXHGE-GOSISDBHSA-N 2 1 324.472 2.700 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n(CCc2ccccc2)n1 ZINC000621328408 399755328 /nfs/dbraw/zinc/75/53/28/399755328.db2.gz QTSZOIBYYJXHGE-GOSISDBHSA-N 2 1 324.472 2.700 20 0 DFADMP CCCc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000621334514 399757431 /nfs/dbraw/zinc/75/74/31/399757431.db2.gz IHZMEOLGYKSFTD-UHFFFAOYSA-N 2 1 309.523 2.818 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC000629957550 399768558 /nfs/dbraw/zinc/76/85/58/399768558.db2.gz KLHNHNSUIJZXSA-HNNXBMFYSA-N 2 1 317.477 2.716 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC000629957552 399769226 /nfs/dbraw/zinc/76/92/26/399769226.db2.gz KLHNHNSUIJZXSA-OAHLLOKOSA-N 2 1 317.477 2.716 20 0 DFADMP CCOc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000603517306 399786538 /nfs/dbraw/zinc/78/65/38/399786538.db2.gz OGBUCLVLOSFXFS-LJQANCHMSA-N 2 1 318.461 2.818 20 0 DFADMP c1cc2c(cccc2C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)[nH]1 ZINC000603517287 399786678 /nfs/dbraw/zinc/78/66/78/399786678.db2.gz NIHZKOHZZGLWFT-KRWDZBQOSA-N 2 1 313.445 2.901 20 0 DFADMP CC[NH+](CCCNC(=O)C[N@@H+](C)C1CCC1)C1CCCCC1 ZINC000630012576 399792472 /nfs/dbraw/zinc/79/24/72/399792472.db2.gz ZSMOLPJDKSGRAK-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@@H+](CCCNC(=O)C[NH+](C)C1CCC1)C1CCCCC1 ZINC000630012576 399792467 /nfs/dbraw/zinc/79/24/67/399792467.db2.gz ZSMOLPJDKSGRAK-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CCCNC(=O)C[N@H+](C)C1CCC1)C1CCCCC1 ZINC000630012576 399792470 /nfs/dbraw/zinc/79/24/70/399792470.db2.gz ZSMOLPJDKSGRAK-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)cc1 ZINC000166379269 542751667 /nfs/dbraw/zinc/75/16/67/542751667.db2.gz XQDDZUUQCGYJLC-OTWHNJEPSA-N 2 1 301.478 2.814 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000166379269 542751668 /nfs/dbraw/zinc/75/16/68/542751668.db2.gz XQDDZUUQCGYJLC-OTWHNJEPSA-N 2 1 301.478 2.814 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)N(C)C)cc1 ZINC000166379269 542751669 /nfs/dbraw/zinc/75/16/69/542751669.db2.gz XQDDZUUQCGYJLC-OTWHNJEPSA-N 2 1 301.478 2.814 20 0 DFADMP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000166298529 542752274 /nfs/dbraw/zinc/75/22/74/542752274.db2.gz FHLCNCKSJPJQCC-SZVBFZGTSA-N 2 1 317.452 2.868 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2sccc2Cl)CC1 ZINC000193088391 542856509 /nfs/dbraw/zinc/85/65/09/542856509.db2.gz ZRWBGBIKGMZXNM-UHFFFAOYSA-N 2 1 301.887 2.519 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496196218 300028628 /nfs/dbraw/zinc/02/86/28/300028628.db2.gz AJNVNSWCTGFVLB-TUVASFSCSA-N 2 1 313.486 2.608 20 0 DFADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236723749 542896988 /nfs/dbraw/zinc/89/69/88/542896988.db2.gz FLEVQMCMKULAAS-QZTJIDSGSA-N 2 1 317.477 2.531 20 0 DFADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261637925 542952523 /nfs/dbraw/zinc/95/25/23/542952523.db2.gz DPKOCVRORHNVEX-NRFBVMONSA-N 2 1 317.521 2.572 20 0 DFADMP C(CC12CC3CC(CC(C3)C1)C2)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261637930 542952630 /nfs/dbraw/zinc/95/26/30/542952630.db2.gz DPKOCVRORHNVEX-WFRNDULYSA-N 2 1 317.521 2.572 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ncc[nH]1 ZINC000287663542 543004393 /nfs/dbraw/zinc/00/43/93/543004393.db2.gz VMMJXMIPORMJAX-AWEZNQCLSA-N 2 1 314.433 2.734 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000302864596 543049083 /nfs/dbraw/zinc/04/90/83/543049083.db2.gz LYXPWDCHKZKWDN-QGZVFWFLSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309770560 543065651 /nfs/dbraw/zinc/06/56/51/543065651.db2.gz HIUSAAUTANFWEY-NVXWUHKLSA-N 2 1 317.477 2.531 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764605 543065806 /nfs/dbraw/zinc/06/58/06/543065806.db2.gz ZCUMFVGJELSVMO-RBUKOAKNSA-N 2 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764605 543065807 /nfs/dbraw/zinc/06/58/07/543065807.db2.gz ZCUMFVGJELSVMO-RBUKOAKNSA-N 3 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764605 543065810 /nfs/dbraw/zinc/06/58/10/543065810.db2.gz ZCUMFVGJELSVMO-RBUKOAKNSA-N 3 1 301.478 2.630 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000604346477 399840489 /nfs/dbraw/zinc/84/04/89/399840489.db2.gz QAMOEVIKYXYRGE-OAHLLOKOSA-N 2 1 321.465 2.535 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](CN[C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764986 543066102 /nfs/dbraw/zinc/06/61/02/543066102.db2.gz ZCUMFVGJELSVMO-RTBURBONSA-N 2 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764986 543066104 /nfs/dbraw/zinc/06/61/04/543066104.db2.gz ZCUMFVGJELSVMO-RTBURBONSA-N 3 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)cc1 ZINC000309764986 543066106 /nfs/dbraw/zinc/06/61/06/543066106.db2.gz ZCUMFVGJELSVMO-RTBURBONSA-N 3 1 301.478 2.630 20 0 DFADMP C[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309770562 543065419 /nfs/dbraw/zinc/06/54/19/543065419.db2.gz HIUSAAUTANFWEY-WBVHZDCISA-N 2 1 317.477 2.531 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[NH+]1CCCC[C@H]1C ZINC000339274407 543143677 /nfs/dbraw/zinc/14/36/77/543143677.db2.gz IZVHXRYJGBYUJN-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[N@@H+]1CCCC[C@H]1C ZINC000339274407 543143680 /nfs/dbraw/zinc/14/36/80/543143680.db2.gz IZVHXRYJGBYUJN-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000339274407 543143683 /nfs/dbraw/zinc/14/36/83/543143683.db2.gz IZVHXRYJGBYUJN-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000339286163 543143817 /nfs/dbraw/zinc/14/38/17/543143817.db2.gz KRVVZIYXVOIBSH-HZPDHXFCSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339066205 543139519 /nfs/dbraw/zinc/13/95/19/543139519.db2.gz FUVPKSLYIIMZGG-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000339066205 543139522 /nfs/dbraw/zinc/13/95/22/543139522.db2.gz FUVPKSLYIIMZGG-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000339066205 543139525 /nfs/dbraw/zinc/13/95/25/543139525.db2.gz FUVPKSLYIIMZGG-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000339066205 543139527 /nfs/dbraw/zinc/13/95/27/543139527.db2.gz FUVPKSLYIIMZGG-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000339066205 543139530 /nfs/dbraw/zinc/13/95/30/543139530.db2.gz FUVPKSLYIIMZGG-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339071071 543140348 /nfs/dbraw/zinc/14/03/48/543140348.db2.gz QDSUIBNKQLDWAY-ROUUACIJSA-N 2 1 318.461 2.737 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339071071 543140351 /nfs/dbraw/zinc/14/03/51/543140351.db2.gz QDSUIBNKQLDWAY-ROUUACIJSA-N 2 1 318.461 2.737 20 0 DFADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070078 543140418 /nfs/dbraw/zinc/14/04/18/543140418.db2.gz WDQYRIPPTSVXSI-MJGOQNOKSA-N 2 1 310.445 2.631 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339070122 543140565 /nfs/dbraw/zinc/14/05/65/543140565.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339070122 543140569 /nfs/dbraw/zinc/14/05/69/543140569.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339070122 543140571 /nfs/dbraw/zinc/14/05/71/543140571.db2.gz WTTRSYMNFNJTRC-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@@H]2C2CC2)c1 ZINC000348088619 543182938 /nfs/dbraw/zinc/18/29/38/543182938.db2.gz RHONCYSYAUNURA-RTBURBONSA-N 2 1 300.446 2.797 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC2 ZINC000358965232 543270038 /nfs/dbraw/zinc/27/00/38/543270038.db2.gz MOUZVJIGTUHOBG-MRXNPFEDSA-N 2 1 302.418 2.543 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411244767 543316959 /nfs/dbraw/zinc/31/69/59/543316959.db2.gz NTZLKYGPKLTLAN-ATZDWAIDSA-N 2 1 302.462 2.567 20 0 DFADMP CCc1ncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000414280763 543324982 /nfs/dbraw/zinc/32/49/82/543324982.db2.gz DTGHCWAZRUFHFW-IYBDPMFKSA-N 2 1 304.482 2.887 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000414925358 543328069 /nfs/dbraw/zinc/32/80/69/543328069.db2.gz LQMJQAHQFUBNSP-IEBWSBKVSA-N 2 1 319.468 2.692 20 0 DFADMP C[NH+](C)CC[C@@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)C(C)(C)C ZINC000630382219 399880212 /nfs/dbraw/zinc/88/02/12/399880212.db2.gz RWMQOISDAGMIOA-DLBZAZTESA-N 2 1 323.525 2.876 20 0 DFADMP Cc1ccc([C@@H](O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000174784549 145390843 /nfs/dbraw/zinc/39/08/43/145390843.db2.gz CIUWYTORAOXILG-SFHVURJKSA-N 2 1 313.445 2.717 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000174784540 145390935 /nfs/dbraw/zinc/39/09/35/145390935.db2.gz CIUWYTORAOXILG-GOSISDBHSA-N 2 1 313.445 2.717 20 0 DFADMP [NH3+]CCC1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000630516823 399897525 /nfs/dbraw/zinc/89/75/25/399897525.db2.gz LGLJOXRJXFJIIR-UHFFFAOYSA-N 2 1 323.444 2.562 20 0 DFADMP CON1CCC([NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000421412519 543339888 /nfs/dbraw/zinc/33/98/88/543339888.db2.gz SXBUSQRPTALMIL-AWEZNQCLSA-N 2 1 314.433 2.857 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000631110751 399982537 /nfs/dbraw/zinc/98/25/37/399982537.db2.gz KCGDNPJYJUGWMT-OAHLLOKOSA-N 2 1 303.450 2.999 20 0 DFADMP O=c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631055709 399970701 /nfs/dbraw/zinc/97/07/01/399970701.db2.gz DZGSPKXVNFYKIE-GOSISDBHSA-N 2 1 311.429 2.789 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631063330 399972486 /nfs/dbraw/zinc/97/24/86/399972486.db2.gz CCXCTQBHNKTYMG-KRWDZBQOSA-N 2 1 304.482 2.893 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631063330 399972489 /nfs/dbraw/zinc/97/24/89/399972489.db2.gz CCXCTQBHNKTYMG-KRWDZBQOSA-N 2 1 304.482 2.893 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000631065434 399972794 /nfs/dbraw/zinc/97/27/94/399972794.db2.gz YMNIBNCNZWQICB-ZDUSSCGKSA-N 2 1 300.406 2.576 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000631065885 399972806 /nfs/dbraw/zinc/97/28/06/399972806.db2.gz VQYQELNAKCGZKW-KRWDZBQOSA-N 2 1 303.450 2.855 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000631065885 399972808 /nfs/dbraw/zinc/97/28/08/399972808.db2.gz VQYQELNAKCGZKW-KRWDZBQOSA-N 2 1 303.450 2.855 20 0 DFADMP Cc1ccc([C@@H](C)C[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000628165769 399994640 /nfs/dbraw/zinc/99/46/40/399994640.db2.gz LSENEHQLMFOKTO-DLBZAZTESA-N 2 1 304.478 2.876 20 0 DFADMP Cn1nc2c(c1C[NH2+]C[C@@H]1CCC[N@H+](CC3CC3)C1)CCCC2 ZINC000631179342 399997467 /nfs/dbraw/zinc/99/74/67/399997467.db2.gz RTXVRGRPPYXISG-INIZCTEOSA-N 2 1 316.493 2.511 20 0 DFADMP Cn1nc2c(c1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)CCCC2 ZINC000631179342 399997469 /nfs/dbraw/zinc/99/74/69/399997469.db2.gz RTXVRGRPPYXISG-INIZCTEOSA-N 2 1 316.493 2.511 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194926 400000705 /nfs/dbraw/zinc/00/07/05/400000705.db2.gz SEWRAECUKMDJPX-QAPCUYQASA-N 2 1 311.429 2.645 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@H](C)O1 ZINC000631195709 400000836 /nfs/dbraw/zinc/00/08/36/400000836.db2.gz ZXMPXWDZNOOJRZ-VYDRJQSISA-N 2 1 302.462 2.910 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631197084 400001340 /nfs/dbraw/zinc/00/13/40/400001340.db2.gz WZMWJHXLYSZRFT-HNAYVOBHSA-N 2 1 310.445 2.643 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631197084 400001341 /nfs/dbraw/zinc/00/13/41/400001341.db2.gz WZMWJHXLYSZRFT-HNAYVOBHSA-N 2 1 310.445 2.643 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC1CC1 ZINC000628243093 400007528 /nfs/dbraw/zinc/00/75/28/400007528.db2.gz CEWBSODHGQCRNQ-OAHLLOKOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC1CC1 ZINC000628243093 400007529 /nfs/dbraw/zinc/00/75/29/400007529.db2.gz CEWBSODHGQCRNQ-OAHLLOKOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1OC1CC1 ZINC000628243093 400007530 /nfs/dbraw/zinc/00/75/30/400007530.db2.gz CEWBSODHGQCRNQ-OAHLLOKOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1OC1CC1 ZINC000628243093 400007531 /nfs/dbraw/zinc/00/75/31/400007531.db2.gz CEWBSODHGQCRNQ-OAHLLOKOSA-N 2 1 304.434 2.620 20 0 DFADMP Cc1ccc([C@H](C)C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000628279078 400012841 /nfs/dbraw/zinc/01/28/41/400012841.db2.gz SSXBAXHUODCLGE-GOSISDBHSA-N 2 1 303.494 2.668 20 0 DFADMP C[NH+]1CC[C@@H](Nc2cccc(C[N@@H+]3CC[C@@H](O)C3)c2)CC1(C)C ZINC000628288530 400014477 /nfs/dbraw/zinc/01/44/77/400014477.db2.gz NAPRDOVHRIIJCD-QZTJIDSGSA-N 2 1 317.477 2.538 20 0 DFADMP C[NH+]1CC[C@@H](Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1(C)C ZINC000628288530 400014479 /nfs/dbraw/zinc/01/44/79/400014479.db2.gz NAPRDOVHRIIJCD-QZTJIDSGSA-N 2 1 317.477 2.538 20 0 DFADMP CC[C@H](C)[N@@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000628301567 400016847 /nfs/dbraw/zinc/01/68/47/400016847.db2.gz XWANUNFKPDRQKT-KRWDZBQOSA-N 2 1 320.477 2.754 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+]CCn1cc[nH+]c1C ZINC000631575466 400053704 /nfs/dbraw/zinc/05/37/04/400053704.db2.gz FVROAXBORFYNCU-OAHLLOKOSA-N 2 1 301.390 2.704 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631587107 400055365 /nfs/dbraw/zinc/05/53/65/400055365.db2.gz CIWBVQQPUUQPNM-DZKIICNBSA-N 2 1 304.434 2.981 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631587107 400055366 /nfs/dbraw/zinc/05/53/66/400055366.db2.gz CIWBVQQPUUQPNM-DZKIICNBSA-N 2 1 304.434 2.981 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826727 400077981 /nfs/dbraw/zinc/07/79/81/400077981.db2.gz WAINCLOECXDLPK-GJZGRUSLSA-N 2 1 304.438 2.549 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826727 400077982 /nfs/dbraw/zinc/07/79/82/400077982.db2.gz WAINCLOECXDLPK-GJZGRUSLSA-N 2 1 304.438 2.549 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833373 400078447 /nfs/dbraw/zinc/07/84/47/400078447.db2.gz YORCSWTWCOAQKP-CQSZACIVSA-N 2 1 321.490 2.940 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631833373 400078448 /nfs/dbraw/zinc/07/84/48/400078448.db2.gz YORCSWTWCOAQKP-CQSZACIVSA-N 2 1 321.490 2.940 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835091 400078562 /nfs/dbraw/zinc/07/85/62/400078562.db2.gz MHEKWASVQAWJPV-OAHLLOKOSA-N 2 1 319.449 2.617 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCCC[C@@H]([NH3+])C1 ZINC000631835091 400078563 /nfs/dbraw/zinc/07/85/63/400078563.db2.gz MHEKWASVQAWJPV-OAHLLOKOSA-N 2 1 319.449 2.617 20 0 DFADMP CCn1nc(C)c(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)c1C ZINC000631835774 400078592 /nfs/dbraw/zinc/07/85/92/400078592.db2.gz XHEJZPAKYSLKGL-UHFFFAOYSA-N 2 1 312.461 2.798 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@@H](C[NH3+])[C@H](C)C3)n2)cc1F ZINC000631840465 400079090 /nfs/dbraw/zinc/07/90/90/400079090.db2.gz CLHFNLTWWBWSSA-MBNYWOFBSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C[NH3+])[C@H](C)C3)n2)cc1F ZINC000631840465 400079091 /nfs/dbraw/zinc/07/90/91/400079091.db2.gz CLHFNLTWWBWSSA-MBNYWOFBSA-N 2 1 318.396 2.772 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000236769730 146025551 /nfs/dbraw/zinc/02/55/51/146025551.db2.gz DXUNTXRYHSLJTP-KRWDZBQOSA-N 2 1 309.498 2.619 20 0 DFADMP C[C@@H](CN[C@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237445060 146044124 /nfs/dbraw/zinc/04/41/24/146044124.db2.gz AFCQBEKSEJWGIV-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H](CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237445060 146044126 /nfs/dbraw/zinc/04/41/26/146044126.db2.gz AFCQBEKSEJWGIV-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237545902 146045455 /nfs/dbraw/zinc/04/54/55/146045455.db2.gz GUGMFAWGDGFVTA-INMHGKMJSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245429772 146070189 /nfs/dbraw/zinc/07/01/89/146070189.db2.gz NHEWQIQGCLMXTQ-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245429772 146070191 /nfs/dbraw/zinc/07/01/91/146070191.db2.gz NHEWQIQGCLMXTQ-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245458686 146073555 /nfs/dbraw/zinc/07/35/55/146073555.db2.gz UZUZANBMSBKTQA-PKOBYXMFSA-N 2 1 302.462 2.702 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586605 146085856 /nfs/dbraw/zinc/08/58/56/146085856.db2.gz DYISIGCXXRQRDV-OALUTQOASA-N 2 1 302.462 2.804 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586605 146085859 /nfs/dbraw/zinc/08/58/59/146085859.db2.gz DYISIGCXXRQRDV-OALUTQOASA-N 2 1 302.462 2.804 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586605 146085862 /nfs/dbraw/zinc/08/58/62/146085862.db2.gz DYISIGCXXRQRDV-OALUTQOASA-N 2 1 302.462 2.804 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586605 146085866 /nfs/dbraw/zinc/08/58/66/146085866.db2.gz DYISIGCXXRQRDV-OALUTQOASA-N 2 1 302.462 2.804 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603241 146087157 /nfs/dbraw/zinc/08/71/57/146087157.db2.gz GPWJAMYXZMDWQH-ZWKOTPCHSA-N 2 1 316.445 2.536 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603241 146087161 /nfs/dbraw/zinc/08/71/61/146087161.db2.gz GPWJAMYXZMDWQH-ZWKOTPCHSA-N 2 1 316.445 2.536 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)OCc3ccccc3)CC[C@H]21 ZINC000245603241 146087165 /nfs/dbraw/zinc/08/71/65/146087165.db2.gz GPWJAMYXZMDWQH-ZWKOTPCHSA-N 2 1 316.445 2.536 20 0 DFADMP CN(CC[C@H]1CCC[N@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245622109 146087958 /nfs/dbraw/zinc/08/79/58/146087958.db2.gz OAQYKTSYCAFKEK-WOJBJXKFSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@H]1CCC[NH+]1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245622109 146087964 /nfs/dbraw/zinc/08/79/64/146087964.db2.gz OAQYKTSYCAFKEK-WOJBJXKFSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@H]1CCC[NH+]1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245622109 146087967 /nfs/dbraw/zinc/08/79/67/146087967.db2.gz OAQYKTSYCAFKEK-WOJBJXKFSA-N 2 1 315.505 2.925 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2sc(CCOC)nc2C)C1 ZINC000245622428 146088929 /nfs/dbraw/zinc/08/89/29/146088929.db2.gz RQYJVYBRSQEGGZ-TZMCWYRMSA-N 2 1 311.495 2.633 20 0 DFADMP CC[C@H](C)C(=O)N(C)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000245673428 146093179 /nfs/dbraw/zinc/09/31/79/146093179.db2.gz FIOLLGILJSCZJF-JQHSSLGASA-N 2 1 323.525 2.828 20 0 DFADMP COCC[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000246207969 146129739 /nfs/dbraw/zinc/12/97/39/146129739.db2.gz JWFVCQNQTMOCGQ-ZACQAIPSSA-N 2 1 320.477 2.810 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000246896649 146157811 /nfs/dbraw/zinc/15/78/11/146157811.db2.gz FRCYEXGQSSQNTE-HKUYNNGSSA-N 2 1 304.478 2.956 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc([S@@](C)=O)cc1 ZINC000247004705 146159395 /nfs/dbraw/zinc/15/93/95/146159395.db2.gz LWPNBCSLJCJDOM-ALLJEULLSA-N 2 1 319.474 2.916 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000247086033 146160715 /nfs/dbraw/zinc/16/07/15/146160715.db2.gz XXTAFRHODJOUDF-IXDOHACOSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000247086033 146160719 /nfs/dbraw/zinc/16/07/19/146160719.db2.gz XXTAFRHODJOUDF-IXDOHACOSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000247086033 146160728 /nfs/dbraw/zinc/16/07/28/146160728.db2.gz XXTAFRHODJOUDF-IXDOHACOSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000247086033 146160731 /nfs/dbraw/zinc/16/07/31/146160731.db2.gz XXTAFRHODJOUDF-IXDOHACOSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000247364973 146167900 /nfs/dbraw/zinc/16/79/00/146167900.db2.gz RAQAOHCHDNQBQH-LPHOPBHVSA-N 2 1 301.478 2.753 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000249038451 146183605 /nfs/dbraw/zinc/18/36/05/146183605.db2.gz GKESKQXWQQGAHL-CENDIDJXSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000249158048 146189303 /nfs/dbraw/zinc/18/93/03/146189303.db2.gz XQICSZKVXIJUAK-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000249158048 146189307 /nfs/dbraw/zinc/18/93/07/146189307.db2.gz XQICSZKVXIJUAK-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000249158048 146189309 /nfs/dbraw/zinc/18/93/09/146189309.db2.gz XQICSZKVXIJUAK-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189574 /nfs/dbraw/zinc/18/95/74/146189574.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189578 /nfs/dbraw/zinc/18/95/78/146189578.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189581 /nfs/dbraw/zinc/18/95/81/146189581.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189585 /nfs/dbraw/zinc/18/95/85/146189585.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189589 /nfs/dbraw/zinc/18/95/89/146189589.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189592 /nfs/dbraw/zinc/18/95/92/146189592.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000249162782 146189596 /nfs/dbraw/zinc/18/95/96/146189596.db2.gz ZNQLFWZCYAKVGK-IHPCNDPISA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222375 /nfs/dbraw/zinc/22/23/75/146222375.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222379 /nfs/dbraw/zinc/22/23/79/146222379.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222381 /nfs/dbraw/zinc/22/23/81/146222381.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 2 1 303.494 2.827 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222386 /nfs/dbraw/zinc/22/23/86/146222386.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 2 1 303.494 2.827 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695976 146222388 /nfs/dbraw/zinc/22/23/88/146222388.db2.gz AZXZTMMQXRTYOE-LNLFQRSKSA-N 2 1 303.494 2.827 20 0 DFADMP C[N@@H+](CCc1ccc(Br)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000258891451 146236650 /nfs/dbraw/zinc/23/66/50/146236650.db2.gz CQFCVDMOORJGEG-CQSZACIVSA-N 2 1 311.267 2.923 20 0 DFADMP CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261539650 146237810 /nfs/dbraw/zinc/23/78/10/146237810.db2.gz CXLNSPIIDSMLBU-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552925 146240134 /nfs/dbraw/zinc/24/01/34/146240134.db2.gz SBQIGKBVABRWSI-WZGPROSRSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552925 146240135 /nfs/dbraw/zinc/24/01/35/146240135.db2.gz SBQIGKBVABRWSI-WZGPROSRSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552925 146240138 /nfs/dbraw/zinc/24/01/38/146240138.db2.gz SBQIGKBVABRWSI-WZGPROSRSA-N 2 1 301.478 2.614 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261557894 146240862 /nfs/dbraw/zinc/24/08/62/146240862.db2.gz XUNGPLRXHAOUDC-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261557894 146240863 /nfs/dbraw/zinc/24/08/63/146240863.db2.gz XUNGPLRXHAOUDC-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261557846 146241085 /nfs/dbraw/zinc/24/10/85/146241085.db2.gz XRWHKRCEIVSMBU-IEBWSBKVSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000261557848 146241306 /nfs/dbraw/zinc/24/13/06/146241306.db2.gz XRWHKRCEIVSMBU-PKOBYXMFSA-N 2 1 301.478 2.758 20 0 DFADMP CCN(CC)[C@@H](c1nc(C2(N)CCC2)no1)c1ccccc1 ZINC000261607754 146245968 /nfs/dbraw/zinc/24/59/68/146245968.db2.gz AIZAVGDSQSJSOP-CQSZACIVSA-N 2 1 300.406 2.839 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000261654069 146254814 /nfs/dbraw/zinc/25/48/14/146254814.db2.gz HPILTKSXICMBBE-AWEZNQCLSA-N 2 1 320.330 2.938 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000261654069 146254816 /nfs/dbraw/zinc/25/48/16/146254816.db2.gz HPILTKSXICMBBE-AWEZNQCLSA-N 2 1 320.330 2.938 20 0 DFADMP CC(C)c1ccc([C@@H](C)[N@H+]2CCC[C@H](C(=O)NCC[NH3+])C2)cc1 ZINC000261671438 146256443 /nfs/dbraw/zinc/25/64/43/146256443.db2.gz HDXLSTKZHXXKOI-QAPCUYQASA-N 2 1 317.477 2.658 20 0 DFADMP C[N@@H+](Cc1cccc(N)c1)C1CCN(CCc2ccccn2)CC1 ZINC000261696924 146260570 /nfs/dbraw/zinc/26/05/70/146260570.db2.gz NOHKDCJQGSZSSH-UHFFFAOYSA-N 2 1 324.472 2.803 20 0 DFADMP CN(C[C@]1(C)CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261732905 146267951 /nfs/dbraw/zinc/26/79/51/146267951.db2.gz HJFCOGVKBXEFAR-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745333 146269035 /nfs/dbraw/zinc/26/90/35/146269035.db2.gz KTWDLOZQMGYWFO-LJQANCHMSA-N 2 1 312.461 2.719 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261745333 146269038 /nfs/dbraw/zinc/26/90/38/146269038.db2.gz KTWDLOZQMGYWFO-LJQANCHMSA-N 2 1 312.461 2.719 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261739974 146269360 /nfs/dbraw/zinc/26/93/60/146269360.db2.gz SBQQZESAHFZBTN-CQSZACIVSA-N 2 1 300.324 2.771 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000261739974 146269362 /nfs/dbraw/zinc/26/93/62/146269362.db2.gz SBQQZESAHFZBTN-CQSZACIVSA-N 2 1 300.324 2.771 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)C[C@H]21 ZINC000261797755 146279029 /nfs/dbraw/zinc/27/90/29/146279029.db2.gz GRPWJEHTYYKEAC-NILFDRSVSA-N 2 1 302.447 2.697 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811301 146280265 /nfs/dbraw/zinc/28/02/65/146280265.db2.gz HQJODULEHMZSCD-CVEARBPZSA-N 2 1 312.461 2.955 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261811314 146281387 /nfs/dbraw/zinc/28/13/87/146281387.db2.gz HQOYVAUGTDYWDG-YIONKMFJSA-N 2 1 302.447 2.853 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261811314 146281390 /nfs/dbraw/zinc/28/13/90/146281390.db2.gz HQOYVAUGTDYWDG-YIONKMFJSA-N 2 1 302.447 2.853 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000261819402 146282724 /nfs/dbraw/zinc/28/27/24/146282724.db2.gz XQXJZXNLANSXMR-IBGZPJMESA-N 2 1 311.429 2.831 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)s2)cn1 ZINC000261825360 146283410 /nfs/dbraw/zinc/28/34/10/146283410.db2.gz IRBOFPDDHKSCKN-RCBQFDQVSA-N 2 1 316.474 2.708 20 0 DFADMP Cc1cc2cc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)oc2cc1C ZINC000261827821 146284127 /nfs/dbraw/zinc/28/41/27/146284127.db2.gz AAWQNURWHOQJBN-QGZVFWFLSA-N 2 1 313.445 2.529 20 0 DFADMP c1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CCC2)cc1 ZINC000261862344 146290145 /nfs/dbraw/zinc/29/01/45/146290145.db2.gz CEYGRSOGSROVJP-QRVBRYPASA-N 2 1 314.473 2.855 20 0 DFADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261875935 146293023 /nfs/dbraw/zinc/29/30/23/146293023.db2.gz DRWLDPAATGEIFS-MDMSPXHWSA-N 2 1 324.509 2.574 20 0 DFADMP C[C@@]1(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC[NH2+]C1 ZINC000261890451 146296215 /nfs/dbraw/zinc/29/62/15/146296215.db2.gz SYGLYCBLBVYDNP-MAUKXSAKSA-N 2 1 302.418 2.594 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC[NH2+]C1 ZINC000261890451 146296217 /nfs/dbraw/zinc/29/62/17/146296217.db2.gz SYGLYCBLBVYDNP-MAUKXSAKSA-N 2 1 302.418 2.594 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000261893622 146296282 /nfs/dbraw/zinc/29/62/82/146296282.db2.gz UMNQNOBUWZBHCC-MAUKXSAKSA-N 2 1 304.434 2.840 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000261925626 146302904 /nfs/dbraw/zinc/30/29/04/146302904.db2.gz CCEGZWCQZNDWOI-UHFFFAOYSA-N 2 1 302.447 2.714 20 0 DFADMP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cs1 ZINC000261942229 146307458 /nfs/dbraw/zinc/30/74/58/146307458.db2.gz MXSUGMJMRRZWAX-XHSDSOJGSA-N 2 1 323.506 2.556 20 0 DFADMP CC[C@H]1CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261954896 146308720 /nfs/dbraw/zinc/30/87/20/146308720.db2.gz OLOLVOMQUFAIRX-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@]1(C[N@@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261954928 146309017 /nfs/dbraw/zinc/30/90/17/146309017.db2.gz GOUYMOYUXJIWNI-YJBOKZPZSA-N 2 1 304.409 2.720 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261954928 146309018 /nfs/dbraw/zinc/30/90/18/146309018.db2.gz GOUYMOYUXJIWNI-YJBOKZPZSA-N 2 1 304.409 2.720 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000261954813 146309027 /nfs/dbraw/zinc/30/90/27/146309027.db2.gz GMXASKIBZVGQPE-IBGZPJMESA-N 2 1 310.445 2.581 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CC[NH2+]C1 ZINC000261960240 146310139 /nfs/dbraw/zinc/31/01/39/146310139.db2.gz HEONNUNMQCFNCO-WMZOPIPTSA-N 2 1 306.425 2.806 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1)CC1CC1 ZINC000261976436 146313856 /nfs/dbraw/zinc/31/38/56/146313856.db2.gz QVHQYIMVMYJOLN-IBGZPJMESA-N 2 1 307.526 2.820 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]12 ZINC000261983441 146315317 /nfs/dbraw/zinc/31/53/17/146315317.db2.gz AOHXAPSHNRLEAI-VBNZEHGJSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]12 ZINC000261983441 146315322 /nfs/dbraw/zinc/31/53/22/146315322.db2.gz AOHXAPSHNRLEAI-VBNZEHGJSA-N 2 1 301.365 2.650 20 0 DFADMP Clc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cn2c1 ZINC000261991730 146318043 /nfs/dbraw/zinc/31/80/43/146318043.db2.gz KJLBRUZPHZDIDQ-UHFFFAOYSA-N 2 1 304.825 2.563 20 0 DFADMP Clc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261993976 146318897 /nfs/dbraw/zinc/31/88/97/146318897.db2.gz TUJSSDGJAZNWHO-BRWVUGGUSA-N 2 1 308.853 2.629 20 0 DFADMP COc1ccc2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)sc2c1 ZINC000262005161 146320820 /nfs/dbraw/zinc/32/08/20/146320820.db2.gz UNDGBUNMQKZDJQ-GFCCVEGCSA-N 2 1 305.447 2.866 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)s2)cn1 ZINC000262007886 146321504 /nfs/dbraw/zinc/32/15/04/146321504.db2.gz UUINDGRBFXHFIG-CYBMUJFWSA-N 2 1 304.463 2.709 20 0 DFADMP c1ccc(-c2cccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262082822 146331345 /nfs/dbraw/zinc/33/13/45/146331345.db2.gz FNFPXHMLIZBOGI-OAQYLSRUSA-N 2 1 321.468 2.833 20 0 DFADMP c1ccc(-c2cccc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)c2)cc1 ZINC000262082819 146331375 /nfs/dbraw/zinc/33/13/75/146331375.db2.gz FNFPXHMLIZBOGI-NRFANRHFSA-N 2 1 321.468 2.833 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@](C)(C[NH3+])C2)cc1 ZINC000262090069 146331773 /nfs/dbraw/zinc/33/17/73/146331773.db2.gz UHSKZYOBDDPAFE-IBGZPJMESA-N 2 1 317.477 2.729 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC000262112354 146334441 /nfs/dbraw/zinc/33/44/41/146334441.db2.gz WNMYSZYKSGOLDN-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC000262112354 146334443 /nfs/dbraw/zinc/33/44/43/146334443.db2.gz WNMYSZYKSGOLDN-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP FC(F)(F)COc1ccccc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262110886 146334642 /nfs/dbraw/zinc/33/46/42/146334642.db2.gz WHQMPQCNJVAVHY-OAHLLOKOSA-N 2 1 314.351 2.813 20 0 DFADMP FC(F)(F)COc1ccccc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262110886 146334644 /nfs/dbraw/zinc/33/46/44/146334644.db2.gz WHQMPQCNJVAVHY-OAHLLOKOSA-N 2 1 314.351 2.813 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2)C[C@H]1c1ccccc1 ZINC000262261200 146347111 /nfs/dbraw/zinc/34/71/11/146347111.db2.gz RFMRGHWXQRYEAL-MJGOQNOKSA-N 2 1 323.440 2.690 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000262351910 146353811 /nfs/dbraw/zinc/35/38/11/146353811.db2.gz VIDXLGRZHRZKSM-FHWLQOOXSA-N 2 1 301.478 2.931 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000262367056 146354258 /nfs/dbraw/zinc/35/42/58/146354258.db2.gz XDZNVUFTUIHFRR-FPMFFAJLSA-N 2 1 324.852 2.916 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000262367056 146354261 /nfs/dbraw/zinc/35/42/61/146354261.db2.gz XDZNVUFTUIHFRR-FPMFFAJLSA-N 2 1 324.852 2.916 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]12 ZINC000262555233 146371696 /nfs/dbraw/zinc/37/16/96/146371696.db2.gz UAQPSZSYTCXORI-UHOFOFEASA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]12 ZINC000262555233 146371701 /nfs/dbraw/zinc/37/17/01/146371701.db2.gz UAQPSZSYTCXORI-UHOFOFEASA-N 2 1 301.365 2.650 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000354346330 147001952 /nfs/dbraw/zinc/00/19/52/147001952.db2.gz HLMFNMPCQUYSLZ-WDSOQIARSA-N 2 1 320.477 2.711 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000354346330 147001953 /nfs/dbraw/zinc/00/19/53/147001953.db2.gz HLMFNMPCQUYSLZ-WDSOQIARSA-N 2 1 320.477 2.711 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1scnc1C1CC1 ZINC000494941234 543416325 /nfs/dbraw/zinc/41/63/25/543416325.db2.gz USJWCDOBIXSGJZ-RBSFLKMASA-N 2 1 321.490 2.704 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1scnc1C1CC1 ZINC000494941234 543416328 /nfs/dbraw/zinc/41/63/28/543416328.db2.gz USJWCDOBIXSGJZ-RBSFLKMASA-N 2 1 321.490 2.704 20 0 DFADMP Cc1cnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000354855027 147178973 /nfs/dbraw/zinc/17/89/73/147178973.db2.gz DXMDCFJEQJFZNQ-UHFFFAOYSA-N 2 1 311.433 2.528 20 0 DFADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000355217467 147226446 /nfs/dbraw/zinc/22/64/46/147226446.db2.gz HFOFWSAQVBRIME-YQVWRLOYSA-N 2 1 318.461 2.687 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000355284043 147252328 /nfs/dbraw/zinc/25/23/28/147252328.db2.gz RBROFIBRQJZQBK-ZHALLVOQSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CCN3CC=CCC3)CC2)C1 ZINC000355510083 147342088 /nfs/dbraw/zinc/34/20/88/147342088.db2.gz HLKFWRGJEADRFR-HKUYNNGSSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CCN3CC=CCC3)CC2)C1 ZINC000355510092 147343512 /nfs/dbraw/zinc/34/35/12/147343512.db2.gz HLKFWRGJEADRFR-IEBWSBKVSA-N 2 1 305.510 2.881 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000357629167 148063840 /nfs/dbraw/zinc/06/38/40/148063840.db2.gz DLHCAKAKZWVCEQ-JKSUJKDBSA-N 2 1 311.514 2.780 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC000350181949 286016415 /nfs/dbraw/zinc/01/64/15/286016415.db2.gz UYOJREVKRZASSM-INIZCTEOSA-N 2 1 324.440 2.637 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012204 148210519 /nfs/dbraw/zinc/21/05/19/148210519.db2.gz HDARLASBVKAQJM-BPUTZDHNSA-N 2 1 304.434 2.839 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012204 148210521 /nfs/dbraw/zinc/21/05/21/148210521.db2.gz HDARLASBVKAQJM-BPUTZDHNSA-N 2 1 304.434 2.839 20 0 DFADMP CO[C@](C)(C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000638006213 543496580 /nfs/dbraw/zinc/49/65/80/543496580.db2.gz GBFSGSIZJNSXTF-MAUKXSAKSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000638006213 543496582 /nfs/dbraw/zinc/49/65/82/543496582.db2.gz GBFSGSIZJNSXTF-MAUKXSAKSA-N 2 1 303.450 2.939 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000358221577 148290755 /nfs/dbraw/zinc/29/07/55/148290755.db2.gz GYKHDYOKWPZLTJ-HDMKZQKVSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000358236643 148297300 /nfs/dbraw/zinc/29/73/00/148297300.db2.gz ASMHFKQMAMCJHW-GWFLUQINSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC(O)CC1 ZINC000358236643 148297303 /nfs/dbraw/zinc/29/73/03/148297303.db2.gz ASMHFKQMAMCJHW-GWFLUQINSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247062 148301478 /nfs/dbraw/zinc/30/14/78/148301478.db2.gz HKNIYCHDYMSUSB-QZTJIDSGSA-N 2 1 306.425 2.713 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247062 148301484 /nfs/dbraw/zinc/30/14/84/148301484.db2.gz HKNIYCHDYMSUSB-QZTJIDSGSA-N 2 1 306.425 2.713 20 0 DFADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358255935 148305604 /nfs/dbraw/zinc/30/56/04/148305604.db2.gz RBUBRDWGFXOTDL-WMLDXEAASA-N 2 1 308.491 2.904 20 0 DFADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358255935 148305610 /nfs/dbraw/zinc/30/56/10/148305610.db2.gz RBUBRDWGFXOTDL-WMLDXEAASA-N 2 1 308.491 2.904 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000350364899 286032332 /nfs/dbraw/zinc/03/23/32/286032332.db2.gz KAVSUOQSICJJOO-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H](C)C[NH+](C)C)CCC2 ZINC000425915571 296604347 /nfs/dbraw/zinc/60/43/47/296604347.db2.gz APCBOAASBNPHDC-GXTWGEPZSA-N 2 1 322.449 2.929 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)nc1 ZINC000358351030 148338250 /nfs/dbraw/zinc/33/82/50/148338250.db2.gz HBHRBJYGCLIXPO-PKOBYXMFSA-N 2 1 324.472 2.828 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC2)C1 ZINC000358380093 148346203 /nfs/dbraw/zinc/34/62/03/148346203.db2.gz WPGOVEGUVINGJI-SNPRPXQTSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503803 148380381 /nfs/dbraw/zinc/38/03/81/148380381.db2.gz FQHOLWUPPYTVJH-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358519821 148381905 /nfs/dbraw/zinc/38/19/05/148381905.db2.gz TVKBBOQWUXCBCQ-UHFFFAOYSA-N 2 1 321.852 2.662 20 0 DFADMP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000262052721 286048945 /nfs/dbraw/zinc/04/89/45/286048945.db2.gz ZVKRCWYVMDDORA-RCCFBDPRSA-N 2 1 324.509 2.720 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1ccncc1 ZINC000350556713 286057923 /nfs/dbraw/zinc/05/79/23/286057923.db2.gz KEGYSJTUZOOROU-MRXNPFEDSA-N 2 1 311.429 2.765 20 0 DFADMP Fc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000361009706 149007107 /nfs/dbraw/zinc/00/71/07/149007107.db2.gz MHEQKKFHDQGOLT-IKGGRYGDSA-N 2 1 317.452 2.868 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@@H](C)C1 ZINC000361025600 149011108 /nfs/dbraw/zinc/01/11/08/149011108.db2.gz NLHPXRXFTMBPMY-NQYYFHDYSA-N 2 1 324.509 2.671 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000660430292 543526099 /nfs/dbraw/zinc/52/60/99/543526099.db2.gz MILHDJFJYFFYMN-JKSUJKDBSA-N 2 1 304.434 2.784 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)s1 ZINC000361173477 149045950 /nfs/dbraw/zinc/04/59/50/149045950.db2.gz IACURVPHXYZXBY-UONOGXRCSA-N 2 1 323.506 2.549 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000361347214 149091362 /nfs/dbraw/zinc/09/13/62/149091362.db2.gz TXMIINUZHVVKBE-MNEFBYGVSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@@H](F)C[C@@H]1CO ZINC000361381553 149100863 /nfs/dbraw/zinc/10/08/63/149100863.db2.gz OKXMELUMVWXSCN-JKSUJKDBSA-N 2 1 319.424 2.920 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@H+](C)C1(CO)CC1 ZINC000361382819 149101310 /nfs/dbraw/zinc/10/13/10/149101310.db2.gz XPORZKZFQKBZMD-UHFFFAOYSA-N 2 1 301.434 2.972 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ncnn1C ZINC000361456617 149119220 /nfs/dbraw/zinc/11/92/20/149119220.db2.gz LWUSGJAWWUOMBV-VYDXJSESSA-N 2 1 313.449 2.519 20 0 DFADMP CCOc1cc(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000361532024 149140626 /nfs/dbraw/zinc/14/06/26/149140626.db2.gz VJCZKXFGLDFVQN-NVXWUHKLSA-N 2 1 320.477 2.956 20 0 DFADMP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@H]2Cn2ccnc2C(C)C)o1 ZINC000361667382 149186066 /nfs/dbraw/zinc/18/60/66/149186066.db2.gz PEMANYSEBNVODL-OCCSQVGLSA-N 2 1 303.410 2.924 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1C[C@H](O)COC(C)(C)C ZINC000361667370 149186137 /nfs/dbraw/zinc/18/61/37/149186137.db2.gz OVGVSZLRQABMCN-CVEARBPZSA-N 2 1 323.481 2.647 20 0 DFADMP CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361668480 149187751 /nfs/dbraw/zinc/18/77/51/149187751.db2.gz ZSVXGZAMIIKEMP-JKSUJKDBSA-N 2 1 320.481 2.776 20 0 DFADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361668480 149187752 /nfs/dbraw/zinc/18/77/52/149187752.db2.gz ZSVXGZAMIIKEMP-JKSUJKDBSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361767767 149214684 /nfs/dbraw/zinc/21/46/84/149214684.db2.gz QBKQJZGQPYSKKX-BHIYHBOVSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362681459 149341546 /nfs/dbraw/zinc/34/15/46/149341546.db2.gz POAASIAHSQYTRV-INIZCTEOSA-N 2 1 317.477 2.598 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000362764069 149360765 /nfs/dbraw/zinc/36/07/65/149360765.db2.gz YTEOLCQZMZNUNM-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000351051078 286106489 /nfs/dbraw/zinc/10/64/89/286106489.db2.gz DHUVUOCWCGKETJ-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000351051078 286106491 /nfs/dbraw/zinc/10/64/91/286106491.db2.gz DHUVUOCWCGKETJ-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000351051078 286106492 /nfs/dbraw/zinc/10/64/92/286106492.db2.gz DHUVUOCWCGKETJ-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000351336754 286121891 /nfs/dbraw/zinc/12/18/91/286121891.db2.gz ZYFTUWJKBKCEMA-PKOBYXMFSA-N 2 1 324.509 2.911 20 0 DFADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472606 286128583 /nfs/dbraw/zinc/12/85/83/286128583.db2.gz BEQCMENVUZJQLS-IACUBPJLSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351472606 286128585 /nfs/dbraw/zinc/12/85/85/286128585.db2.gz BEQCMENVUZJQLS-IACUBPJLSA-N 2 1 303.431 2.881 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]12 ZINC000351472248 286128617 /nfs/dbraw/zinc/12/86/17/286128617.db2.gz AHTUXBPBOLYIDR-BPLDGKMQSA-N 2 1 314.351 2.797 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]12 ZINC000351472897 286128827 /nfs/dbraw/zinc/12/88/27/286128827.db2.gz BSZYQOKCXGUDMX-DFQSSKMNSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@@H]12 ZINC000351472617 286128962 /nfs/dbraw/zinc/12/89/62/286128962.db2.gz BERNSEDTYUPQIG-NSISKUIASA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@@H]12 ZINC000351482073 286131572 /nfs/dbraw/zinc/13/15/72/286131572.db2.gz YOLREOCMDOQHMQ-NILFDRSVSA-N 2 1 314.351 2.753 20 0 DFADMP CN(C[C@H](O)C[N@H+](Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444108 286126392 /nfs/dbraw/zinc/12/63/92/286126392.db2.gz OVGBRCWWNRCPCO-IBGZPJMESA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444108 286126394 /nfs/dbraw/zinc/12/63/94/286126394.db2.gz OVGBRCWWNRCPCO-IBGZPJMESA-N 2 1 302.462 2.744 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444108 286126395 /nfs/dbraw/zinc/12/63/95/286126395.db2.gz OVGBRCWWNRCPCO-IBGZPJMESA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444108 286126396 /nfs/dbraw/zinc/12/63/96/286126396.db2.gz OVGBRCWWNRCPCO-IBGZPJMESA-N 2 1 302.462 2.744 20 0 DFADMP CN(C[C@@H](O)C[N@H+](Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444112 286126505 /nfs/dbraw/zinc/12/65/05/286126505.db2.gz OVGBRCWWNRCPCO-LJQANCHMSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444112 286126507 /nfs/dbraw/zinc/12/65/07/286126507.db2.gz OVGBRCWWNRCPCO-LJQANCHMSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444112 286126509 /nfs/dbraw/zinc/12/65/09/286126509.db2.gz OVGBRCWWNRCPCO-LJQANCHMSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccccc1)CC1CCC1)C1CC1 ZINC000351444112 286126511 /nfs/dbraw/zinc/12/65/11/286126511.db2.gz OVGBRCWWNRCPCO-LJQANCHMSA-N 2 1 302.462 2.744 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)cc(Cl)c3)C2)CC1 ZINC000351446555 286126883 /nfs/dbraw/zinc/12/68/83/286126883.db2.gz ASLFGPLVULTLOF-GOSISDBHSA-N 2 1 321.896 2.860 20 0 DFADMP CN(C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493282 286134701 /nfs/dbraw/zinc/13/47/01/286134701.db2.gz VFPPJOVIDRKTLQ-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493282 286134703 /nfs/dbraw/zinc/13/47/03/286134703.db2.gz VFPPJOVIDRKTLQ-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493282 286134705 /nfs/dbraw/zinc/13/47/05/286134705.db2.gz VFPPJOVIDRKTLQ-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493282 286134708 /nfs/dbraw/zinc/13/47/08/286134708.db2.gz VFPPJOVIDRKTLQ-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351510958 286139929 /nfs/dbraw/zinc/13/99/29/286139929.db2.gz AXRAJQBBWQMDQD-XKQJLSEDSA-N 2 1 306.450 2.816 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)CC[N@H+]2C[C@H](O)CN(C)C2CC2)o1 ZINC000351510958 286139931 /nfs/dbraw/zinc/13/99/31/286139931.db2.gz AXRAJQBBWQMDQD-XKQJLSEDSA-N 2 1 306.450 2.816 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519221 286141344 /nfs/dbraw/zinc/14/13/44/286141344.db2.gz ODMJTPWRALMFCS-MNEFBYGVSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519221 286141346 /nfs/dbraw/zinc/14/13/46/286141346.db2.gz ODMJTPWRALMFCS-MNEFBYGVSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519221 286141349 /nfs/dbraw/zinc/14/13/49/286141349.db2.gz ODMJTPWRALMFCS-MNEFBYGVSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519221 286141352 /nfs/dbraw/zinc/14/13/52/286141352.db2.gz ODMJTPWRALMFCS-MNEFBYGVSA-N 2 1 302.462 2.567 20 0 DFADMP CC1CCC([N@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]2CCCO2)CC1 ZINC000351518420 286141577 /nfs/dbraw/zinc/14/15/77/286141577.db2.gz LYOZQXDRNLIYHR-FYOYPEGLSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C[C@@H]2CCCO2)CC1 ZINC000351518420 286141578 /nfs/dbraw/zinc/14/15/78/286141578.db2.gz LYOZQXDRNLIYHR-FYOYPEGLSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([NH+](C[C@@H](O)C[N@H+](C)C2CC2)C[C@@H]2CCCO2)CC1 ZINC000351518420 286141579 /nfs/dbraw/zinc/14/15/79/286141579.db2.gz LYOZQXDRNLIYHR-FYOYPEGLSA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C[C@@H]2CCCO2)CC1 ZINC000351518420 286141581 /nfs/dbraw/zinc/14/15/81/286141581.db2.gz LYOZQXDRNLIYHR-FYOYPEGLSA-N 2 1 324.509 2.501 20 0 DFADMP O[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371196060 150000874 /nfs/dbraw/zinc/00/08/74/150000874.db2.gz BPOKYCBBLWLROF-UXHICEINSA-N 2 1 316.489 2.788 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cc1C ZINC000371331554 150025434 /nfs/dbraw/zinc/02/54/34/150025434.db2.gz IXHKYWNGBKVJSD-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)ccc1F ZINC000371337128 150026925 /nfs/dbraw/zinc/02/69/25/150026925.db2.gz SHTYVQLTBZWFHB-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccn1 ZINC000371347905 150028844 /nfs/dbraw/zinc/02/88/44/150028844.db2.gz PRNGSEVBSAKZLJ-FXAWDEMLSA-N 2 1 324.472 2.721 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccn1 ZINC000371347905 150028845 /nfs/dbraw/zinc/02/88/45/150028845.db2.gz PRNGSEVBSAKZLJ-FXAWDEMLSA-N 2 1 324.472 2.721 20 0 DFADMP Cn1cc(CN2CCC[C@H]([N@@H+](C)Cc3ccccc3)CC2)cn1 ZINC000371364101 150031137 /nfs/dbraw/zinc/03/11/37/150031137.db2.gz KSNNTKMFAVLBTE-IBGZPJMESA-N 2 1 312.461 2.907 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3nc(C)ccc3O)C2)c1 ZINC000371376452 150034414 /nfs/dbraw/zinc/03/44/14/150034414.db2.gz YNRLCKHIEUVXNG-HNNXBMFYSA-N 2 1 312.417 2.733 20 0 DFADMP Cc1ncc(CN2CC[C@H]3CC[N@H+](C)[C@H]3C2)n1-c1ccccc1 ZINC000371541302 150062678 /nfs/dbraw/zinc/06/26/78/150062678.db2.gz AEBYPQWFVCGVEL-APWZRJJASA-N 2 1 310.445 2.707 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3nccs3)CC2)C1 ZINC000371569944 150066794 /nfs/dbraw/zinc/06/67/94/150066794.db2.gz CKCDPWZIZHUFTD-OAHLLOKOSA-N 2 1 322.522 2.822 20 0 DFADMP CC(C)[NH+](CCSCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)C(C)C ZINC000371623903 150072977 /nfs/dbraw/zinc/07/29/77/150072977.db2.gz GBSVCHKQWFIXSV-IYBDPMFKSA-N 2 1 300.512 2.702 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571689 286157245 /nfs/dbraw/zinc/15/72/45/286157245.db2.gz AVKXVJIWHPXFJX-OALUTQOASA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571689 286157246 /nfs/dbraw/zinc/15/72/46/286157246.db2.gz AVKXVJIWHPXFJX-OALUTQOASA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)CCCC2 ZINC000351573086 286157551 /nfs/dbraw/zinc/15/75/51/286157551.db2.gz HAAVWTPWBBPNFK-IFXJQAMLSA-N 2 1 302.462 2.671 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc2c(c1)CCCC2 ZINC000351573086 286157553 /nfs/dbraw/zinc/15/75/53/286157553.db2.gz HAAVWTPWBBPNFK-IFXJQAMLSA-N 2 1 302.462 2.671 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccc(F)c1 ZINC000371985127 150120638 /nfs/dbraw/zinc/12/06/38/150120638.db2.gz QRDKDVIXYRJIPM-LZQZEXGQSA-N 2 1 320.452 2.847 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2CCc2ccccc2)CC[N@H+]1C ZINC000372060085 150131124 /nfs/dbraw/zinc/13/11/24/150131124.db2.gz OUIVEBJLMIKVFL-HOJAQTOUSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CC[NH+]1C ZINC000372060085 150131127 /nfs/dbraw/zinc/13/11/27/150131127.db2.gz OUIVEBJLMIKVFL-HOJAQTOUSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CC[NH+]1C ZINC000372060085 150131129 /nfs/dbraw/zinc/13/11/29/150131129.db2.gz OUIVEBJLMIKVFL-HOJAQTOUSA-N 2 1 315.505 2.766 20 0 DFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000372058080 150131211 /nfs/dbraw/zinc/13/12/11/150131211.db2.gz NFRZKYGDMGVXAZ-QGZVFWFLSA-N 2 1 323.431 2.836 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000372058080 150131213 /nfs/dbraw/zinc/13/12/13/150131213.db2.gz NFRZKYGDMGVXAZ-QGZVFWFLSA-N 2 1 323.431 2.836 20 0 DFADMP COCc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000372170045 150144111 /nfs/dbraw/zinc/14/41/11/150144111.db2.gz NWYIZSXAIQIXHC-QYZOEREBSA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000372170045 150144115 /nfs/dbraw/zinc/14/41/15/150144115.db2.gz NWYIZSXAIQIXHC-QYZOEREBSA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000372170045 150144118 /nfs/dbraw/zinc/14/41/18/150144118.db2.gz NWYIZSXAIQIXHC-QYZOEREBSA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000372170045 150144119 /nfs/dbraw/zinc/14/41/19/150144119.db2.gz NWYIZSXAIQIXHC-QYZOEREBSA-N 2 1 300.446 2.749 20 0 DFADMP C[N@@H+](CCN1CCC[C@H]1[C@H]1CCC[NH+]1C)Cc1ccc(F)cc1 ZINC000372357554 150166623 /nfs/dbraw/zinc/16/66/23/150166623.db2.gz PTJHYSLTDGBHSL-MOPGFXCFSA-N 2 1 319.468 2.816 20 0 DFADMP C[NH+](CCN1CCC[C@H]1[C@H]1CCC[N@@H+]1C)Cc1ccc(F)cc1 ZINC000372357554 150166624 /nfs/dbraw/zinc/16/66/24/150166624.db2.gz PTJHYSLTDGBHSL-MOPGFXCFSA-N 2 1 319.468 2.816 20 0 DFADMP C[NH+](CCN1CCC[C@H]1[C@H]1CCC[N@H+]1C)Cc1ccc(F)cc1 ZINC000372357554 150166627 /nfs/dbraw/zinc/16/66/27/150166627.db2.gz PTJHYSLTDGBHSL-MOPGFXCFSA-N 2 1 319.468 2.816 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3ccc(F)nc3)C2)c1 ZINC000372423316 150170434 /nfs/dbraw/zinc/17/04/34/150170434.db2.gz XAFDJROUBLKYRB-HNNXBMFYSA-N 2 1 300.381 2.858 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCC[NH+](Cc2ccccc2F)CC1 ZINC000372427585 150170940 /nfs/dbraw/zinc/17/09/40/150170940.db2.gz HDXUYSSJGHHLPL-GOSISDBHSA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000372427585 150170944 /nfs/dbraw/zinc/17/09/44/150170944.db2.gz HDXUYSSJGHHLPL-GOSISDBHSA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+]1CCC[C@@H]1CCN1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000372427585 150170947 /nfs/dbraw/zinc/17/09/47/150170947.db2.gz HDXUYSSJGHHLPL-GOSISDBHSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2ccccc2F)CC1 ZINC000372427585 150170951 /nfs/dbraw/zinc/17/09/51/150170951.db2.gz HDXUYSSJGHHLPL-GOSISDBHSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(Cc2ccccc2F)CC1 ZINC000372427585 150170953 /nfs/dbraw/zinc/17/09/53/150170953.db2.gz HDXUYSSJGHHLPL-GOSISDBHSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000372805349 150187103 /nfs/dbraw/zinc/18/71/03/150187103.db2.gz RYMGWZYQYHPJNS-HNNXBMFYSA-N 2 1 304.438 2.611 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000372805349 150187105 /nfs/dbraw/zinc/18/71/05/150187105.db2.gz RYMGWZYQYHPJNS-HNNXBMFYSA-N 2 1 304.438 2.611 20 0 DFADMP CCCC[C@@H](COC)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000373189594 150244403 /nfs/dbraw/zinc/24/44/03/150244403.db2.gz HZXMPANRHSOTQO-IRXDYDNUSA-N 2 1 320.481 2.857 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCc3ccncc3)C1)CCCC2 ZINC000351631439 286175671 /nfs/dbraw/zinc/17/56/71/286175671.db2.gz UASPRLALWDRQSI-QGZVFWFLSA-N 2 1 310.445 2.955 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCc3ccncc3)C1)CCCC2 ZINC000351631439 286175674 /nfs/dbraw/zinc/17/56/74/286175674.db2.gz UASPRLALWDRQSI-QGZVFWFLSA-N 2 1 310.445 2.955 20 0 DFADMP C[C@H](CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000373912656 150277256 /nfs/dbraw/zinc/27/72/56/150277256.db2.gz QMEKZUMRJYOCAL-QUCCMNQESA-N 2 1 315.505 2.892 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CCN(CC[NH+]1CCCCC1)CC2)C1CC1 ZINC000374289321 150336018 /nfs/dbraw/zinc/33/60/18/150336018.db2.gz UAFMLEXEFVHWIW-KRWDZBQOSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@H+](C[C@@H]1CC12CC[NH+](CCN1CCCCC1)CC2)C1CC1 ZINC000374289321 150336022 /nfs/dbraw/zinc/33/60/22/150336022.db2.gz UAFMLEXEFVHWIW-KRWDZBQOSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCN1CCCCC1)CC2)C1CC1 ZINC000374289321 150336028 /nfs/dbraw/zinc/33/60/28/150336028.db2.gz UAFMLEXEFVHWIW-KRWDZBQOSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@@H+](C[C@H]1CC12CCN(CC[NH+]1CCCCC1)CC2)C1CC1 ZINC000374289323 150336181 /nfs/dbraw/zinc/33/61/81/150336181.db2.gz UAFMLEXEFVHWIW-QGZVFWFLSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@H+](C[C@H]1CC12CC[NH+](CCN1CCCCC1)CC2)C1CC1 ZINC000374289323 150336186 /nfs/dbraw/zinc/33/61/86/150336186.db2.gz UAFMLEXEFVHWIW-QGZVFWFLSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCN1CCCCC1)CC2)C1CC1 ZINC000374289323 150336190 /nfs/dbraw/zinc/33/61/90/150336190.db2.gz UAFMLEXEFVHWIW-QGZVFWFLSA-N 2 1 305.510 2.669 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCOCC(F)(F)F)CC2)C1CC1 ZINC000374298138 150339837 /nfs/dbraw/zinc/33/98/37/150339837.db2.gz UARKGAPNRLNHIK-CYBMUJFWSA-N 2 1 320.399 2.762 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000351853591 286233031 /nfs/dbraw/zinc/23/30/31/286233031.db2.gz PGNZRHCQADAXKL-HUUCEWRRSA-N 2 1 310.445 2.530 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000351853591 286233032 /nfs/dbraw/zinc/23/30/32/286233032.db2.gz PGNZRHCQADAXKL-HUUCEWRRSA-N 2 1 310.445 2.530 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000351853589 286233044 /nfs/dbraw/zinc/23/30/44/286233044.db2.gz PGNZRHCQADAXKL-CABCVRRESA-N 2 1 310.445 2.530 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000351853589 286233045 /nfs/dbraw/zinc/23/30/45/286233045.db2.gz PGNZRHCQADAXKL-CABCVRRESA-N 2 1 310.445 2.530 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862786 286233980 /nfs/dbraw/zinc/23/39/80/286233980.db2.gz QOHSWLBWQQXNEN-VXGBXAGGSA-N 2 1 318.339 2.633 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000351862785 286233997 /nfs/dbraw/zinc/23/39/97/286233997.db2.gz QOHSWLBWQQXNEN-RYUDHWBXSA-N 2 1 318.339 2.633 20 0 DFADMP CC[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000351847767 286231820 /nfs/dbraw/zinc/23/18/20/286231820.db2.gz BNUVCOOMDTWRQA-INWMFGNUSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H](NC(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000351847767 286231822 /nfs/dbraw/zinc/23/18/22/286231822.db2.gz BNUVCOOMDTWRQA-INWMFGNUSA-N 2 1 323.868 2.576 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000359579366 286256581 /nfs/dbraw/zinc/25/65/81/286256581.db2.gz QKOHJDMFOBIALB-NWDGAFQWSA-N 2 1 303.381 2.911 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000359579366 286256582 /nfs/dbraw/zinc/25/65/82/286256582.db2.gz QKOHJDMFOBIALB-NWDGAFQWSA-N 2 1 303.381 2.911 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000352018889 286271269 /nfs/dbraw/zinc/27/12/69/286271269.db2.gz BVMRUBBNGMYSHQ-UHFFFAOYSA-N 2 1 311.433 2.993 20 0 DFADMP CCc1ccc([C@@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000352104179 286292667 /nfs/dbraw/zinc/29/26/67/286292667.db2.gz UBEGPWZHBNLWJK-QUCCMNQESA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000352104179 286292668 /nfs/dbraw/zinc/29/26/68/286292668.db2.gz UBEGPWZHBNLWJK-QUCCMNQESA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000352104179 286292669 /nfs/dbraw/zinc/29/26/69/286292669.db2.gz UBEGPWZHBNLWJK-QUCCMNQESA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc([C@@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000352104179 286292670 /nfs/dbraw/zinc/29/26/70/286292670.db2.gz UBEGPWZHBNLWJK-QUCCMNQESA-N 2 1 316.489 2.884 20 0 DFADMP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352115679 286296332 /nfs/dbraw/zinc/29/63/32/286296332.db2.gz NLYUYNONRPPFLV-ATZDWAIDSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352115679 286296333 /nfs/dbraw/zinc/29/63/33/286296333.db2.gz NLYUYNONRPPFLV-ATZDWAIDSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@H](c2ccccc2)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352115679 286296336 /nfs/dbraw/zinc/29/63/36/286296336.db2.gz NLYUYNONRPPFLV-ATZDWAIDSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@H](c2ccccc2)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352115679 286296337 /nfs/dbraw/zinc/29/63/37/286296337.db2.gz NLYUYNONRPPFLV-ATZDWAIDSA-N 2 1 302.462 2.915 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000352349921 286350031 /nfs/dbraw/zinc/35/00/31/286350031.db2.gz IIZIQDMFUUGKNH-SJLPKXTDSA-N 2 1 319.493 2.790 20 0 DFADMP CCC[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000352487751 286386318 /nfs/dbraw/zinc/38/63/18/286386318.db2.gz IRUDWJVVZAYIND-MSOLQXFVSA-N 2 1 317.477 2.847 20 0 DFADMP CCC[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000352487751 286386320 /nfs/dbraw/zinc/38/63/20/286386320.db2.gz IRUDWJVVZAYIND-MSOLQXFVSA-N 2 1 317.477 2.847 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@@H+]1CC(=O)NCCCC1CCCCC1 ZINC000352503793 286390987 /nfs/dbraw/zinc/39/09/87/286390987.db2.gz KDYXDZMZSLWIRM-QGZVFWFLSA-N 2 1 309.498 2.666 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1CC(=O)NCCCC1CCCCC1 ZINC000352503793 286390989 /nfs/dbraw/zinc/39/09/89/286390989.db2.gz KDYXDZMZSLWIRM-QGZVFWFLSA-N 2 1 309.498 2.666 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352503602 286391009 /nfs/dbraw/zinc/39/10/09/286391009.db2.gz HZHAVVXVPRLEHO-YJBOKZPZSA-N 2 1 317.477 2.630 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1 ZINC000352503602 286391010 /nfs/dbraw/zinc/39/10/10/286391010.db2.gz HZHAVVXVPRLEHO-YJBOKZPZSA-N 2 1 317.477 2.630 20 0 DFADMP Cc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000352520111 286396388 /nfs/dbraw/zinc/39/63/88/286396388.db2.gz VIRZVUCASJRWJW-AEFFLSMTSA-N 2 1 317.477 2.684 20 0 DFADMP Cc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000352520111 286396390 /nfs/dbraw/zinc/39/63/90/286396390.db2.gz VIRZVUCASJRWJW-AEFFLSMTSA-N 2 1 317.477 2.684 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000352504849 286391515 /nfs/dbraw/zinc/39/15/15/286391515.db2.gz VKFSIURTFDNXKD-MRXNPFEDSA-N 2 1 314.433 2.873 20 0 DFADMP Cc1[nH]nc2ncc(C[N@@H+](CCC[NH3+])CC3CCCC3)cc12 ZINC000352526666 286398292 /nfs/dbraw/zinc/39/82/92/286398292.db2.gz QJYZYHYHXPAXAQ-UHFFFAOYSA-N 2 1 301.438 2.607 20 0 DFADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnn(CC(F)F)c1)C(C)(C)C ZINC000352528394 286398880 /nfs/dbraw/zinc/39/88/80/286398880.db2.gz LUDWUXOFJHLTFG-ZDUSSCGKSA-N 2 1 302.413 2.604 20 0 DFADMP COCCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCCC1 ZINC000352758137 286459417 /nfs/dbraw/zinc/45/94/17/286459417.db2.gz GGDPKJIRIDOKKP-UHFFFAOYSA-N 2 1 311.495 2.891 20 0 DFADMP Cc1nc(C)c(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000352798101 286470797 /nfs/dbraw/zinc/47/07/97/286470797.db2.gz XZKICKZTSYCWEP-UHFFFAOYSA-N 2 1 310.492 2.610 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429628820 296753504 /nfs/dbraw/zinc/75/35/04/296753504.db2.gz TYLAPPKVGOLQGD-CABCVRRESA-N 2 1 311.857 2.576 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245951859 158082272 /nfs/dbraw/zinc/08/22/72/158082272.db2.gz WNPDFAMKCRACET-AQMVCYDESA-N 2 1 310.388 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245951859 158082274 /nfs/dbraw/zinc/08/22/74/158082274.db2.gz WNPDFAMKCRACET-AQMVCYDESA-N 2 1 310.388 2.867 20 0 DFADMP Cc1ncsc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836746 158102160 /nfs/dbraw/zinc/10/21/60/158102160.db2.gz OMENHNSESDFHCT-GOEBONIOSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1ncsc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836746 158102163 /nfs/dbraw/zinc/10/21/63/158102163.db2.gz OMENHNSESDFHCT-GOEBONIOSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1ncsc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836746 158102165 /nfs/dbraw/zinc/10/21/65/158102165.db2.gz OMENHNSESDFHCT-GOEBONIOSA-N 2 1 305.491 2.943 20 0 DFADMP C[C@](O)(C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246880668 158103640 /nfs/dbraw/zinc/10/36/40/158103640.db2.gz QLKMOZRRWDZCJN-VDGAXYAQSA-N 2 1 314.473 2.843 20 0 DFADMP C[C@](O)(C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246880668 158103642 /nfs/dbraw/zinc/10/36/42/158103642.db2.gz QLKMOZRRWDZCJN-VDGAXYAQSA-N 2 1 314.473 2.843 20 0 DFADMP C[C@](O)(C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246880668 158103644 /nfs/dbraw/zinc/10/36/44/158103644.db2.gz QLKMOZRRWDZCJN-VDGAXYAQSA-N 2 1 314.473 2.843 20 0 DFADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246917055 158105679 /nfs/dbraw/zinc/10/56/79/158105679.db2.gz FXZZJWYPZKKAJI-MJGOQNOKSA-N 2 1 318.509 2.614 20 0 DFADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246917055 158105681 /nfs/dbraw/zinc/10/56/81/158105681.db2.gz FXZZJWYPZKKAJI-MJGOQNOKSA-N 2 1 318.509 2.614 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cn(C)nc2C)[C@@H](C)C1 ZINC000247075013 158117635 /nfs/dbraw/zinc/11/76/35/158117635.db2.gz QJBKGUAUFWBEAE-DAYGRLMNSA-N 2 1 322.497 2.516 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cn(C)nc2C)[C@@H](C)C1 ZINC000247075013 158117637 /nfs/dbraw/zinc/11/76/37/158117637.db2.gz QJBKGUAUFWBEAE-DAYGRLMNSA-N 2 1 322.497 2.516 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H](C)C1 ZINC000247068799 158118326 /nfs/dbraw/zinc/11/83/26/158118326.db2.gz QAJDRPQYVZXXAB-YOEHRIQHSA-N 2 1 303.450 2.690 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H](C)C1 ZINC000247068799 158118329 /nfs/dbraw/zinc/11/83/29/158118329.db2.gz QAJDRPQYVZXXAB-YOEHRIQHSA-N 2 1 303.450 2.690 20 0 DFADMP C[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247427853 158134989 /nfs/dbraw/zinc/13/49/89/158134989.db2.gz LPOJTNOMVSLQFH-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@@H](C)C1 ZINC000248031193 158157060 /nfs/dbraw/zinc/15/70/60/158157060.db2.gz QKYBMVBSAYOLAH-QFBILLFUSA-N 2 1 312.461 2.751 20 0 DFADMP c1cnn(CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000247998898 158157299 /nfs/dbraw/zinc/15/72/99/158157299.db2.gz KEKAFVUQLOYRCX-VQTJNVASSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000247998898 158157303 /nfs/dbraw/zinc/15/73/03/158157303.db2.gz KEKAFVUQLOYRCX-VQTJNVASSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000247998898 158157310 /nfs/dbraw/zinc/15/73/10/158157310.db2.gz KEKAFVUQLOYRCX-VQTJNVASSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000247998898 158157313 /nfs/dbraw/zinc/15/73/13/158157313.db2.gz KEKAFVUQLOYRCX-VQTJNVASSA-N 2 1 324.472 2.870 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248149430 158162946 /nfs/dbraw/zinc/16/29/46/158162946.db2.gz QOOKXQYMRZFHIO-QFBILLFUSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000248149430 158162948 /nfs/dbraw/zinc/16/29/48/158162948.db2.gz QOOKXQYMRZFHIO-QFBILLFUSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000248149430 158162950 /nfs/dbraw/zinc/16/29/50/158162950.db2.gz QOOKXQYMRZFHIO-QFBILLFUSA-N 2 1 318.461 2.880 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(Cc3nc4cc(F)ccc4o3)CC[C@H]21 ZINC000248185223 158164059 /nfs/dbraw/zinc/16/40/59/158164059.db2.gz XFLMNYZMKLJRFV-IUODEOHRSA-N 2 1 303.381 2.883 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000248199400 158164409 /nfs/dbraw/zinc/16/44/09/158164409.db2.gz YCWQHKXCWDZYQX-PVAVHDDUSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000248199400 158164413 /nfs/dbraw/zinc/16/44/13/158164413.db2.gz YCWQHKXCWDZYQX-PVAVHDDUSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000248198532 158164591 /nfs/dbraw/zinc/16/45/91/158164591.db2.gz XVZXXVMGTVPMBD-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000248198532 158164595 /nfs/dbraw/zinc/16/45/95/158164595.db2.gz XVZXXVMGTVPMBD-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000248198532 158164601 /nfs/dbraw/zinc/16/46/01/158164601.db2.gz XVZXXVMGTVPMBD-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000248198532 158164605 /nfs/dbraw/zinc/16/46/05/158164605.db2.gz XVZXXVMGTVPMBD-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000248198532 158164608 /nfs/dbraw/zinc/16/46/08/158164608.db2.gz XVZXXVMGTVPMBD-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP c1cn(CC[NH2+][C@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000248410563 158174027 /nfs/dbraw/zinc/17/40/27/158174027.db2.gz YDMPTQOCRNZBNN-UFYCRDLUSA-N 2 1 324.472 2.773 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCC1 ZINC000248461628 158177339 /nfs/dbraw/zinc/17/73/39/158177339.db2.gz XRMVLGQDEJPYAE-BEFAXECRSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@H+]1C ZINC000248553321 158183669 /nfs/dbraw/zinc/18/36/69/158183669.db2.gz JNVPVZDXJPXBLM-JEBQAFNWSA-N 2 1 316.424 2.721 20 0 DFADMP CC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCC[NH2+]1 ZINC000248751197 158200569 /nfs/dbraw/zinc/20/05/69/158200569.db2.gz UAHMMZUYRKDMQG-ZIFCJYIRSA-N 2 1 321.509 2.632 20 0 DFADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000268782979 158208983 /nfs/dbraw/zinc/20/89/83/158208983.db2.gz CTIQYKBVWAOBII-HNNXBMFYSA-N 2 1 301.390 2.704 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355027981 158256176 /nfs/dbraw/zinc/25/61/76/158256176.db2.gz FLYCAQNKZOBOTQ-DLBZAZTESA-N 2 1 301.478 2.848 20 0 DFADMP CC[N@@H+](CCC1CC1)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355034701 158257292 /nfs/dbraw/zinc/25/72/92/158257292.db2.gz FRLYFAOXGUYGIS-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP CC[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000355202225 158295997 /nfs/dbraw/zinc/29/59/97/158295997.db2.gz UNJAPTBFBIXUTQ-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000355202225 158295999 /nfs/dbraw/zinc/29/59/99/158295999.db2.gz UNJAPTBFBIXUTQ-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1O ZINC000355202225 158296003 /nfs/dbraw/zinc/29/60/03/158296003.db2.gz UNJAPTBFBIXUTQ-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1O ZINC000355202225 158296006 /nfs/dbraw/zinc/29/60/06/158296006.db2.gz UNJAPTBFBIXUTQ-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP Cc1cnc([C@H](C)[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000356970664 158335833 /nfs/dbraw/zinc/33/58/33/158335833.db2.gz AMQYAGQCFVXCKV-JYJNAYRXSA-N 2 1 321.465 2.865 20 0 DFADMP Cc1cnc([C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000357015883 158348147 /nfs/dbraw/zinc/34/81/47/158348147.db2.gz DPBLQTSTOPNFDS-HNNXBMFYSA-N 2 1 307.438 2.621 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357054486 158356556 /nfs/dbraw/zinc/35/65/56/158356556.db2.gz QDORGUILHSRQLK-OALUTQOASA-N 3 1 315.505 2.686 20 0 DFADMP CCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357055357 158358110 /nfs/dbraw/zinc/35/81/10/158358110.db2.gz QXACMJKSQXADRB-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357055357 158358111 /nfs/dbraw/zinc/35/81/11/158358111.db2.gz QXACMJKSQXADRB-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357055355 158358340 /nfs/dbraw/zinc/35/83/40/158358340.db2.gz QXACMJKSQXADRB-CVEARBPZSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357055355 158358342 /nfs/dbraw/zinc/35/83/42/158358342.db2.gz QXACMJKSQXADRB-CVEARBPZSA-N 2 1 304.434 2.525 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)n1 ZINC000357086987 158363058 /nfs/dbraw/zinc/36/30/58/158363058.db2.gz RZZTZEJVWSFJCG-MSOLQXFVSA-N 2 1 310.445 2.530 20 0 DFADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358508020 158383525 /nfs/dbraw/zinc/38/35/25/158383525.db2.gz NYLVYVYJNBOQGW-OAHLLOKOSA-N 2 1 315.461 2.652 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccsc1)[NH+](CC)CC ZINC000358589782 158391408 /nfs/dbraw/zinc/39/14/08/158391408.db2.gz KVJKOOWYMKINLE-HNNXBMFYSA-N 2 1 311.495 2.589 20 0 DFADMP CC[C@@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261892531 287199990 /nfs/dbraw/zinc/19/99/90/287199990.db2.gz UEJLUGIUWXMUPT-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@H]1n1cccn1 ZINC000128985274 196009771 /nfs/dbraw/zinc/00/97/71/196009771.db2.gz GTPQGZXKSKXPFR-IAGOWNOFSA-N 2 1 301.438 2.942 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H](C)C1 ZINC000131310934 196159138 /nfs/dbraw/zinc/15/91/38/196159138.db2.gz QAJDRPQYVZXXAB-PBHICJAKSA-N 2 1 303.450 2.690 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H](C)C1 ZINC000131310934 196159139 /nfs/dbraw/zinc/15/91/39/196159139.db2.gz QAJDRPQYVZXXAB-PBHICJAKSA-N 2 1 303.450 2.690 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000132075387 196223774 /nfs/dbraw/zinc/22/37/74/196223774.db2.gz UNTDUPSBCUFTJA-HNNXBMFYSA-N 2 1 313.449 2.613 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000246731301 287266396 /nfs/dbraw/zinc/26/63/96/287266396.db2.gz YIJLPRNYAFTYRX-TVFCKZIOSA-N 2 1 321.509 2.678 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000132914441 196296044 /nfs/dbraw/zinc/29/60/44/196296044.db2.gz ZFFPUFIOUCXBEO-JKSUJKDBSA-N 2 1 318.461 2.847 20 0 DFADMP Cc1cccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000136066532 196518399 /nfs/dbraw/zinc/51/83/99/196518399.db2.gz ZKQZZPSDZYPJRT-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1cccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000136066532 196518401 /nfs/dbraw/zinc/51/84/01/196518401.db2.gz ZKQZZPSDZYPJRT-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2Cc2cnc3n2CCC3)n1 ZINC000667611801 543640672 /nfs/dbraw/zinc/64/06/72/543640672.db2.gz CDNAWIBJBNHNLX-INIZCTEOSA-N 2 1 313.449 2.697 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCCN2Cc2cnc3n2CCC3)n1 ZINC000667611801 543640674 /nfs/dbraw/zinc/64/06/74/543640674.db2.gz CDNAWIBJBNHNLX-INIZCTEOSA-N 2 1 313.449 2.697 20 0 DFADMP CCOC[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667639839 543647485 /nfs/dbraw/zinc/64/74/85/543647485.db2.gz CNMQNQJAJZTMRA-OAHLLOKOSA-N 2 1 300.406 2.516 20 0 DFADMP CCOC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667639839 543647489 /nfs/dbraw/zinc/64/74/89/543647489.db2.gz CNMQNQJAJZTMRA-OAHLLOKOSA-N 2 1 300.406 2.516 20 0 DFADMP c1cc(C[N@@H+]2CCCC3(CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667646715 543649409 /nfs/dbraw/zinc/64/94/09/543649409.db2.gz AMYXZIBDZGTSLI-UHFFFAOYSA-N 2 1 312.417 2.660 20 0 DFADMP c1cc(C[N@H+]2CCCC3(CCOCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667646715 543649412 /nfs/dbraw/zinc/64/94/12/543649412.db2.gz AMYXZIBDZGTSLI-UHFFFAOYSA-N 2 1 312.417 2.660 20 0 DFADMP C[NH+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000667518343 543621330 /nfs/dbraw/zinc/62/13/30/543621330.db2.gz XTCVWSCAVSOIMZ-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000667818654 543686382 /nfs/dbraw/zinc/68/63/82/543686382.db2.gz WPMZYQBISPYZNI-UHFFFAOYSA-N 2 1 316.449 2.628 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000667843225 543690212 /nfs/dbraw/zinc/69/02/12/543690212.db2.gz GMCRYFZFPVFEMC-UHFFFAOYSA-N 2 1 318.465 2.744 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC[N@@H+]1C ZINC000667667484 543656248 /nfs/dbraw/zinc/65/62/48/543656248.db2.gz NVTMSYCYDHODGO-SUMDDJOVSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC[N@H+]1C ZINC000667667484 543656251 /nfs/dbraw/zinc/65/62/51/543656251.db2.gz NVTMSYCYDHODGO-SUMDDJOVSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC[NH+]1C ZINC000667667484 543656254 /nfs/dbraw/zinc/65/62/54/543656254.db2.gz NVTMSYCYDHODGO-SUMDDJOVSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC[NH+]1C ZINC000667667484 543656257 /nfs/dbraw/zinc/65/62/57/543656257.db2.gz NVTMSYCYDHODGO-SUMDDJOVSA-N 2 1 318.461 2.769 20 0 DFADMP CO[C@]1(C)C[C@@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000667690749 543661091 /nfs/dbraw/zinc/66/10/91/543661091.db2.gz HKJHURIDQJXBAF-SJLPKXTDSA-N 2 1 314.433 2.903 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)c2cccs2)CC1 ZINC000667761975 543674449 /nfs/dbraw/zinc/67/44/49/543674449.db2.gz ILHYNBSNDRUUTN-LTIDMASMSA-N 2 1 319.518 2.815 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667767325 543675404 /nfs/dbraw/zinc/67/54/04/543675404.db2.gz DONXXPXHPIYWCQ-MOPGFXCFSA-N 2 1 300.446 2.808 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667776080 543676579 /nfs/dbraw/zinc/67/65/79/543676579.db2.gz HWGBLCPVOVZQIS-UXHICEINSA-N 2 1 314.473 2.851 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792567 543680250 /nfs/dbraw/zinc/68/02/50/543680250.db2.gz CSOVFVJTUHGBPA-SJLPKXTDSA-N 2 1 320.477 2.574 20 0 DFADMP C[C@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145814 543749339 /nfs/dbraw/zinc/74/93/39/543749339.db2.gz TYJDDKRYKXHTLA-RDJZCZTQSA-N 2 1 314.433 2.783 20 0 DFADMP C[C@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145814 543749342 /nfs/dbraw/zinc/74/93/42/543749342.db2.gz TYJDDKRYKXHTLA-RDJZCZTQSA-N 2 1 314.433 2.783 20 0 DFADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccc(F)c(F)c2)n1C ZINC000668159655 543754074 /nfs/dbraw/zinc/75/40/74/543754074.db2.gz BHJCCRGZALSAQI-UHFFFAOYSA-N 2 1 322.403 2.571 20 0 DFADMP c1cc(C[N@H+]2CCOC[C@H](C3CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668188857 543763181 /nfs/dbraw/zinc/76/31/81/543763181.db2.gz QZVXYHUXWUOBRG-MRXNPFEDSA-N 2 1 312.417 2.516 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489010 543814073 /nfs/dbraw/zinc/81/40/73/543814073.db2.gz JBPZBOJLFPTPRG-XWSJACJDSA-N 2 1 300.446 2.531 20 0 DFADMP CC[C@@H](C)Oc1cc(C[N@@H+](C)CC2CN(C)C2)ccc1OC ZINC000668539827 543820559 /nfs/dbraw/zinc/82/05/59/543820559.db2.gz NNTGEHRNVISMDV-CQSZACIVSA-N 2 1 306.450 2.866 20 0 DFADMP CC[C@@H](C)Oc1cc(CN(C)CC2C[NH+](C)C2)ccc1OC ZINC000668539827 543820562 /nfs/dbraw/zinc/82/05/62/543820562.db2.gz NNTGEHRNVISMDV-CQSZACIVSA-N 2 1 306.450 2.866 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC1=CCSC1 ZINC000668775554 543865251 /nfs/dbraw/zinc/86/52/51/543865251.db2.gz XSPSWQITRBNQND-UHFFFAOYSA-N 2 1 300.431 2.681 20 0 DFADMP Cc1[nH+]c2ccccc2c(NCC2([NH+]3CCOCC3)CC2)c1C ZINC000433815939 296919948 /nfs/dbraw/zinc/91/99/48/296919948.db2.gz RBBBRWIQISRTML-UHFFFAOYSA-N 2 1 311.429 2.550 20 0 DFADMP C[C@H](Cc1ccccc1)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784679 543866878 /nfs/dbraw/zinc/86/68/78/543866878.db2.gz HNFBHSBZEUMTIR-MJGOQNOKSA-N 2 1 304.478 2.908 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000296570247 226003513 /nfs/dbraw/zinc/00/35/13/226003513.db2.gz VZFHKZHNCOIIMP-QAPCUYQASA-N 2 1 317.477 2.623 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000296587718 226024563 /nfs/dbraw/zinc/02/45/63/226024563.db2.gz UUJWOIMNUPRBFO-UJMXGEILSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000367624902 287395069 /nfs/dbraw/zinc/39/50/69/287395069.db2.gz YNACGEAKGRYPEG-QRVBRYPASA-N 2 1 307.526 2.772 20 0 DFADMP C[C@@H]1CCc2ccccc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618792 543976267 /nfs/dbraw/zinc/97/62/67/543976267.db2.gz PMTDOSAQLWKOJF-APWZRJJASA-N 2 1 315.505 2.926 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]2c2cccc(F)c2)CC1 ZINC000669690442 543984141 /nfs/dbraw/zinc/98/41/41/543984141.db2.gz PNKUROAXRLZGNO-IBGZPJMESA-N 2 1 319.468 2.989 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000669699837 543985411 /nfs/dbraw/zinc/98/54/11/543985411.db2.gz FKTVNEGTDYUTFV-QZTJIDSGSA-N 2 1 322.493 2.569 20 0 DFADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670267625 544031445 /nfs/dbraw/zinc/03/14/45/544031445.db2.gz MOOYRKULTGEHMZ-QFBILLFUSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670267625 544031446 /nfs/dbraw/zinc/03/14/46/544031446.db2.gz MOOYRKULTGEHMZ-QFBILLFUSA-N 2 1 304.478 2.895 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2[C@@H]2CCCO2)cc1 ZINC000671309022 544066821 /nfs/dbraw/zinc/06/68/21/544066821.db2.gz GDUPGUBRDSBKKK-OALUTQOASA-N 2 1 318.461 2.770 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000671467459 544077106 /nfs/dbraw/zinc/07/71/06/544077106.db2.gz UXKKLAMIOMGDCC-ZWKOTPCHSA-N 2 1 303.450 2.718 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@@H]2c2cccnc2)CC1 ZINC000671467459 544077109 /nfs/dbraw/zinc/07/71/09/544077109.db2.gz UXKKLAMIOMGDCC-ZWKOTPCHSA-N 2 1 303.450 2.718 20 0 DFADMP C[C@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H]1F ZINC000671686256 544097462 /nfs/dbraw/zinc/09/74/62/544097462.db2.gz CXNCMZOULMJWKB-PKOBYXMFSA-N 2 1 319.468 2.879 20 0 DFADMP C[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H]1F ZINC000671686256 544097464 /nfs/dbraw/zinc/09/74/64/544097464.db2.gz CXNCMZOULMJWKB-PKOBYXMFSA-N 2 1 319.468 2.879 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723618 544102171 /nfs/dbraw/zinc/10/21/71/544102171.db2.gz PATLCQQXLIKGTR-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723618 544102174 /nfs/dbraw/zinc/10/21/74/544102174.db2.gz PATLCQQXLIKGTR-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723618 544102177 /nfs/dbraw/zinc/10/21/77/544102177.db2.gz PATLCQQXLIKGTR-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)nc12 ZINC000671749731 544106627 /nfs/dbraw/zinc/10/66/27/544106627.db2.gz MLBFNGALCRPXSN-KURKYZTESA-N 2 1 312.461 2.648 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c(C)c1OC ZINC000671756251 544107202 /nfs/dbraw/zinc/10/72/02/544107202.db2.gz FTAPLUDWRWEZCA-KGLIPLIRSA-N 2 1 315.417 2.874 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@H+]2CC)o1 ZINC000673800768 544198743 /nfs/dbraw/zinc/19/87/43/544198743.db2.gz AEQQRHQQTJCAQS-OAHLLOKOSA-N 2 1 321.465 2.678 20 0 DFADMP COCC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000291289018 222288271 /nfs/dbraw/zinc/28/82/71/222288271.db2.gz ZNFLETSOVNMYLJ-UHFFFAOYSA-N 2 1 320.452 2.991 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)n(C)c1C ZINC000291314581 222306016 /nfs/dbraw/zinc/30/60/16/222306016.db2.gz YEOJHGAHQDLEHJ-UHFFFAOYSA-N 2 1 323.481 2.719 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)C1CCCC1 ZINC000674087748 544219184 /nfs/dbraw/zinc/21/91/84/544219184.db2.gz AIUKIBXDWMCJSM-AEFFLSMTSA-N 2 1 323.525 2.687 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)nc1 ZINC000674866579 544272159 /nfs/dbraw/zinc/27/21/59/544272159.db2.gz ADOBLVDCWJLAMD-MRXNPFEDSA-N 2 1 300.406 2.650 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)nc1 ZINC000674866579 544272161 /nfs/dbraw/zinc/27/21/61/544272161.db2.gz ADOBLVDCWJLAMD-MRXNPFEDSA-N 2 1 300.406 2.650 20 0 DFADMP Cc1nccc([C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000675492839 544315541 /nfs/dbraw/zinc/31/55/41/544315541.db2.gz GNNORRIFVHCRSM-SJORKVTESA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000675492839 544315544 /nfs/dbraw/zinc/31/55/44/544315544.db2.gz GNNORRIFVHCRSM-SJORKVTESA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000675492839 544315547 /nfs/dbraw/zinc/31/55/47/544315547.db2.gz GNNORRIFVHCRSM-SJORKVTESA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000675492839 544315550 /nfs/dbraw/zinc/31/55/50/544315550.db2.gz GNNORRIFVHCRSM-SJORKVTESA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nc(C[N@@H+]2CCCN(c3cc(C)ccn3)CC2)oc1C ZINC000675286665 544298359 /nfs/dbraw/zinc/29/83/59/544298359.db2.gz CJRSIXWRCAKBFE-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000675752464 544333808 /nfs/dbraw/zinc/33/38/08/544333808.db2.gz VLGZJFVJPZDPHY-YCPHGPKFSA-N 2 1 302.418 2.735 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000675752464 544333809 /nfs/dbraw/zinc/33/38/09/544333809.db2.gz VLGZJFVJPZDPHY-YCPHGPKFSA-N 2 1 302.418 2.735 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](CCO)C2CCCCC2)cc1 ZINC000676414661 544375871 /nfs/dbraw/zinc/37/58/71/544375871.db2.gz VLRHRQFSDZQQAT-UHFFFAOYSA-N 2 1 320.477 2.754 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000678258186 544634295 /nfs/dbraw/zinc/63/42/95/544634295.db2.gz WPKGTGLWDCZLCT-FQEVSTJZSA-N 2 1 315.505 2.824 20 0 DFADMP C/C(=C/c1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258771 544634730 /nfs/dbraw/zinc/63/47/30/544634730.db2.gz MTWQZCVEUZWSBS-XLEPWJDSSA-N 2 1 313.489 2.802 20 0 DFADMP C/C(=C/c1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000678258771 544634734 /nfs/dbraw/zinc/63/47/34/544634734.db2.gz MTWQZCVEUZWSBS-XLEPWJDSSA-N 2 1 313.489 2.802 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C[C@@H]2CCOC2)C2CC2)cc1 ZINC000678135926 544607628 /nfs/dbraw/zinc/60/76/28/544607628.db2.gz KHFSIDMNLYWCIT-KRWDZBQOSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@H]32)cc1 ZINC000678333596 544652638 /nfs/dbraw/zinc/65/26/38/544652638.db2.gz DRESFXLZYPSFRD-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP CCCCCOc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000678343064 544655490 /nfs/dbraw/zinc/65/54/90/544655490.db2.gz MNYFOKLIAHVMIA-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cccc(F)c3n2)[C@H](C)C1 ZINC000678277241 544641834 /nfs/dbraw/zinc/64/18/34/544641834.db2.gz HBKASKBHZYWRLO-CZUORRHYSA-N 2 1 304.413 2.636 20 0 DFADMP CCc1nn(C)cc1C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000678826484 544730401 /nfs/dbraw/zinc/73/04/01/544730401.db2.gz ZWNKIIBLPOSVSF-OAHLLOKOSA-N 2 1 313.449 2.620 20 0 DFADMP CCc1nn(C)cc1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000678826484 544730403 /nfs/dbraw/zinc/73/04/03/544730403.db2.gz ZWNKIIBLPOSVSF-OAHLLOKOSA-N 2 1 313.449 2.620 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)[C@@H](C)C1 ZINC000678603057 544700221 /nfs/dbraw/zinc/70/02/21/544700221.db2.gz IUGGCZFXYLAOHA-MHORFTMASA-N 2 1 312.498 2.671 20 0 DFADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C[C@@H]1CCOC1)c1ccccc1)C2 ZINC000679025257 544770315 /nfs/dbraw/zinc/77/03/15/544770315.db2.gz JNASZNDEUQQBJA-SZMVWBNQSA-N 2 1 311.429 2.955 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@H]2O)cc1 ZINC000679359348 544841571 /nfs/dbraw/zinc/84/15/71/544841571.db2.gz BQUUDESOYIOEMI-IEBWSBKVSA-N 2 1 320.477 2.610 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@@H]2CCCC[C@H]2O)cc1 ZINC000679359350 544841834 /nfs/dbraw/zinc/84/18/34/544841834.db2.gz BQUUDESOYIOEMI-PKOBYXMFSA-N 2 1 320.477 2.610 20 0 DFADMP CCOCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000679423153 544852344 /nfs/dbraw/zinc/85/23/44/544852344.db2.gz MWTYOEYXXYWMIA-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000679723026 544905863 /nfs/dbraw/zinc/90/58/63/544905863.db2.gz JLWALJCNRBBGTP-JZXOWHBKSA-N 3 1 307.526 2.959 20 0 DFADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000680333510 544992369 /nfs/dbraw/zinc/99/23/69/544992369.db2.gz CSUGFWDWAUEKRU-RCCFBDPRSA-N 2 1 300.446 2.769 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](OC(F)F)C1 ZINC000680334170 544992486 /nfs/dbraw/zinc/99/24/86/544992486.db2.gz JENRHSYYXSXMGK-HNNXBMFYSA-N 2 1 322.359 2.779 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](OC(F)F)C1 ZINC000680334170 544992488 /nfs/dbraw/zinc/99/24/88/544992488.db2.gz JENRHSYYXSXMGK-HNNXBMFYSA-N 2 1 322.359 2.779 20 0 DFADMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000302549104 230294614 /nfs/dbraw/zinc/29/46/14/230294614.db2.gz HTJYRTAVPWESSH-UHFFFAOYSA-N 2 1 302.447 2.867 20 0 DFADMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)cs1 ZINC000302549104 230294616 /nfs/dbraw/zinc/29/46/16/230294616.db2.gz HTJYRTAVPWESSH-UHFFFAOYSA-N 2 1 302.447 2.867 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(F)cc2F)C[C@H](C)O1 ZINC000067452981 425910620 /nfs/dbraw/zinc/91/06/20/425910620.db2.gz MXSMDKVVEOOGEA-OKILXGFUSA-N 2 1 312.404 2.944 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnn(C(C)(C)C)c2)C[C@H](C)O1 ZINC000067452594 425910651 /nfs/dbraw/zinc/91/06/51/425910651.db2.gz HOAQWUAORLWLQL-IYBDPMFKSA-N 2 1 322.497 2.617 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CCCn2ccnc2)c(C)c1 ZINC000124453535 425919556 /nfs/dbraw/zinc/91/95/56/425919556.db2.gz DMKNQLUJSCFFNL-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP Cc1cc(C)c(NC(=O)CN(C)CCCn2ccnc2)c(C)c1 ZINC000124453535 425919557 /nfs/dbraw/zinc/91/95/57/425919557.db2.gz DMKNQLUJSCFFNL-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP CC(C)[N@H+](C)CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155751679 425926516 /nfs/dbraw/zinc/92/65/16/425926516.db2.gz KOWGBHYYZDUFTJ-MRXNPFEDSA-N 2 1 307.482 2.618 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155751679 425926517 /nfs/dbraw/zinc/92/65/17/425926517.db2.gz KOWGBHYYZDUFTJ-MRXNPFEDSA-N 2 1 307.482 2.618 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102757565 425927137 /nfs/dbraw/zinc/92/71/37/425927137.db2.gz NBVMRXFQADESPX-KRWDZBQOSA-N 2 1 303.450 2.604 20 0 DFADMP CC1CC[NH+](CCC[NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000042909355 425853737 /nfs/dbraw/zinc/85/37/37/425853737.db2.gz WGCURQGPUUTPPZ-UHFFFAOYSA-N 2 1 313.449 2.683 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@@H]2C)o1 ZINC000046860285 425866631 /nfs/dbraw/zinc/86/66/31/425866631.db2.gz DKXNAYPLKMNTMV-HNNXBMFYSA-N 2 1 321.465 2.726 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1)C(C)C ZINC000193387943 268067628 /nfs/dbraw/zinc/06/76/28/268067628.db2.gz AAQUUJXWGDSKHV-UHFFFAOYSA-N 2 1 317.477 2.789 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000236937884 268153186 /nfs/dbraw/zinc/15/31/86/268153186.db2.gz SVOQMAUDVUMZAD-OAHLLOKOSA-N 2 1 309.498 2.522 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2(C[NH3+])CCCC2)C1 ZINC000237052703 268153554 /nfs/dbraw/zinc/15/35/54/268153554.db2.gz SVOQMAUDVUMZAD-HNNXBMFYSA-N 2 1 309.498 2.522 20 0 DFADMP Cc1ccoc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000267415745 268180985 /nfs/dbraw/zinc/18/09/85/268180985.db2.gz JHJSDWZSHIYJDR-UHFFFAOYSA-N 2 1 300.406 2.753 20 0 DFADMP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000268881833 268186003 /nfs/dbraw/zinc/18/60/03/268186003.db2.gz IDJYBVONURPHSR-WTLGNFPFSA-N 2 1 320.477 2.826 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270867213 268228513 /nfs/dbraw/zinc/22/85/13/268228513.db2.gz LCGVLJKOJBMFIT-ROUUACIJSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270867213 268228516 /nfs/dbraw/zinc/22/85/16/268228516.db2.gz LCGVLJKOJBMFIT-ROUUACIJSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC3(CCC3)C2)cn1 ZINC000296418476 268306092 /nfs/dbraw/zinc/30/60/92/268306092.db2.gz MLWIRPDYOZNAPS-INIZCTEOSA-N 2 1 312.417 2.767 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc(Cl)c1O ZINC000298078414 268312437 /nfs/dbraw/zinc/31/24/37/268312437.db2.gz LPYUGJZLSQGOMX-GFCCVEGCSA-N 2 1 312.841 2.828 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc(Cl)c1O ZINC000298078414 268312439 /nfs/dbraw/zinc/31/24/39/268312439.db2.gz LPYUGJZLSQGOMX-GFCCVEGCSA-N 2 1 312.841 2.828 20 0 DFADMP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc(Cl)c1O ZINC000298078414 268312441 /nfs/dbraw/zinc/31/24/41/268312441.db2.gz LPYUGJZLSQGOMX-GFCCVEGCSA-N 2 1 312.841 2.828 20 0 DFADMP CCOc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc(Cl)c1O ZINC000298078414 268312442 /nfs/dbraw/zinc/31/24/42/268312442.db2.gz LPYUGJZLSQGOMX-GFCCVEGCSA-N 2 1 312.841 2.828 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000309886305 268336752 /nfs/dbraw/zinc/33/67/52/268336752.db2.gz LGKJKCZHHAYCGV-CQSZACIVSA-N 2 1 313.486 2.704 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000309886305 268336753 /nfs/dbraw/zinc/33/67/53/268336753.db2.gz LGKJKCZHHAYCGV-CQSZACIVSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313696316 268340125 /nfs/dbraw/zinc/34/01/25/268340125.db2.gz IJWCNTCQSSYWKH-DOMZBBRYSA-N 2 1 311.267 2.921 20 0 DFADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000107368284 425989939 /nfs/dbraw/zinc/98/99/39/425989939.db2.gz LKHAWDIIBVZRGN-OALUTQOASA-N 2 1 301.478 2.850 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1)C1CCCCC1 ZINC000126004782 426001288 /nfs/dbraw/zinc/00/12/88/426001288.db2.gz XXYDNWPXOVCFDH-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CN(C(=O)C1CCC1)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124849981 425941406 /nfs/dbraw/zinc/94/14/06/425941406.db2.gz VUAUSNRYERDNNN-ROUUACIJSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1(C)CC1 ZINC000158867914 425949353 /nfs/dbraw/zinc/94/93/53/425949353.db2.gz LJYXDJTVCNMPSB-WBVHZDCISA-N 2 1 317.477 2.526 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cccc(OC)c1 ZINC000158883498 425950124 /nfs/dbraw/zinc/95/01/24/425950124.db2.gz TZVXEMFJOIABKP-PKOBYXMFSA-N 2 1 320.477 2.829 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000125044949 425950636 /nfs/dbraw/zinc/95/06/36/425950636.db2.gz XXGVTQGDOSDTJP-JOCHJYFZSA-N 2 1 319.474 2.841 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc([S@](C)=O)cc1 ZINC000125044949 425950641 /nfs/dbraw/zinc/95/06/41/425950641.db2.gz XXGVTQGDOSDTJP-JOCHJYFZSA-N 2 1 319.474 2.841 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000125078798 425951870 /nfs/dbraw/zinc/95/18/70/425951870.db2.gz OUZXXSNKXXTTBD-IIDMSEBBSA-N 2 1 306.450 2.782 20 0 DFADMP COC(=O)c1oc([C@H](C)N(C)C[C@@H]2CCC[N@@H+](C)C2)cc1C ZINC000125211892 425958545 /nfs/dbraw/zinc/95/85/45/425958545.db2.gz WHGVVLLFMLUOSE-UONOGXRCSA-N 2 1 308.422 2.709 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000105480573 425967541 /nfs/dbraw/zinc/96/75/41/425967541.db2.gz SPHSRWHSGYYYHG-CABZTGNLSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000105480573 425967543 /nfs/dbraw/zinc/96/75/43/425967543.db2.gz SPHSRWHSGYYYHG-CABZTGNLSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174487 425968608 /nfs/dbraw/zinc/96/86/08/425968608.db2.gz YRIHCGOCFSUHCK-STQMWFEESA-N 2 1 309.841 2.728 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170746 425969375 /nfs/dbraw/zinc/96/93/75/425969375.db2.gz CRQVMGDHCXNGBE-CYBMUJFWSA-N 2 1 309.841 2.648 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC000106860973 425977428 /nfs/dbraw/zinc/97/74/28/425977428.db2.gz GNGFBDLELBKRJN-OAHLLOKOSA-N 2 1 300.406 2.686 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@@](C)=O)cc2)CC1 ZINC000161632708 426033369 /nfs/dbraw/zinc/03/33/69/426033369.db2.gz PNXOTNNCDGPZSQ-QKKBWIMNSA-N 2 1 308.491 2.949 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)N2CCC[N@H+](C3CCCC3)CC2)CC1 ZINC000073880626 426033449 /nfs/dbraw/zinc/03/34/49/426033449.db2.gz PPLBIYFEJNNUQA-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000112310173 426071785 /nfs/dbraw/zinc/07/17/85/426071785.db2.gz HCACWKBXNCPYQF-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP CCCC[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000112310173 426071789 /nfs/dbraw/zinc/07/17/89/426071789.db2.gz HCACWKBXNCPYQF-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP CCCC[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000112310173 426071793 /nfs/dbraw/zinc/07/17/93/426071793.db2.gz HCACWKBXNCPYQF-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP COC[C@@H]([NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1)C1CC1 ZINC000161763119 426037888 /nfs/dbraw/zinc/03/78/88/426037888.db2.gz HJBFTHNPEYXLGT-QGZVFWFLSA-N 2 1 323.506 2.678 20 0 DFADMP CC1CC[NH+](C[C@H]2CCCN(CC[C@@H]3CCC[N@H+]3C)C2)CC1 ZINC000161901919 426044801 /nfs/dbraw/zinc/04/48/01/426044801.db2.gz YIBRKOWHOUOLHQ-OALUTQOASA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)CC[N@@H+]1C ZINC000162386689 426062789 /nfs/dbraw/zinc/06/27/89/426062789.db2.gz NDPKAVJUVUCDDM-RDJZCZTQSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)CC[N@H+]1C ZINC000162386689 426062793 /nfs/dbraw/zinc/06/27/93/426062793.db2.gz NDPKAVJUVUCDDM-RDJZCZTQSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000163086339 426088968 /nfs/dbraw/zinc/08/89/68/426088968.db2.gz YIZCCIODCQVODA-JQWIXIFHSA-N 2 1 317.264 2.873 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000163216716 426093785 /nfs/dbraw/zinc/09/37/85/426093785.db2.gz HDAFRKZDZSGOFX-QGZVFWFLSA-N 2 1 319.468 2.722 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC000163296351 426096239 /nfs/dbraw/zinc/09/62/39/426096239.db2.gz NSEHILAPXJJMRU-JKSUJKDBSA-N 2 1 315.461 2.806 20 0 DFADMP CC(C)(C)[C@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128116408 426102605 /nfs/dbraw/zinc/10/26/05/426102605.db2.gz YRONTCHUSUWNBH-ULQDDVLXSA-N 2 1 323.525 2.768 20 0 DFADMP CCCn1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)n3)C2)cn1 ZINC000128275783 426109642 /nfs/dbraw/zinc/10/96/42/426109642.db2.gz OUSMZNQDLBEGPJ-INIZCTEOSA-N 2 1 313.449 2.931 20 0 DFADMP CCCn1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000128275783 426109649 /nfs/dbraw/zinc/10/96/49/426109649.db2.gz OUSMZNQDLBEGPJ-INIZCTEOSA-N 2 1 313.449 2.931 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cccc(OC(C)C)c2)[C@H](C)C1 ZINC000128318226 426112674 /nfs/dbraw/zinc/11/26/74/426112674.db2.gz JMQXFMFBDIECCF-LZQZEXGQSA-N 2 1 320.477 2.827 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)C1 ZINC000164571471 426115506 /nfs/dbraw/zinc/11/55/06/426115506.db2.gz BBYCLUNQXBPGKC-CRAIPNDOSA-N 2 1 315.461 2.999 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000113515807 426116131 /nfs/dbraw/zinc/11/61/31/426116131.db2.gz KVYPFBVKSXCEMY-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP C[N@@H+](Cc1ccccc1CNC(=O)C(C)(C)[NH3+])C1CCCCC1 ZINC000165882161 426124805 /nfs/dbraw/zinc/12/48/05/426124805.db2.gz PZRIURBFGXHVFN-UHFFFAOYSA-N 2 1 317.477 2.805 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000128750288 426131852 /nfs/dbraw/zinc/13/18/52/426131852.db2.gz BJTBCAGLNZCNKU-IXDOHACOSA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000128750288 426131854 /nfs/dbraw/zinc/13/18/54/426131854.db2.gz BJTBCAGLNZCNKU-IXDOHACOSA-N 2 1 317.477 2.736 20 0 DFADMP COCCOc1cc(C)ccc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000167635372 426133193 /nfs/dbraw/zinc/13/31/93/426133193.db2.gz GBOUKCCCKFIMDE-XYJFISCASA-N 2 1 320.477 2.839 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000167635372 426133194 /nfs/dbraw/zinc/13/31/94/426133194.db2.gz GBOUKCCCKFIMDE-XYJFISCASA-N 2 1 320.477 2.839 20 0 DFADMP C[N@@H+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000167653426 426133257 /nfs/dbraw/zinc/13/32/57/426133257.db2.gz RAKGONPTCWLMDM-GOSISDBHSA-N 2 1 323.440 2.945 20 0 DFADMP C[N@H+]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000167653426 426133260 /nfs/dbraw/zinc/13/32/60/426133260.db2.gz RAKGONPTCWLMDM-GOSISDBHSA-N 2 1 323.440 2.945 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000114475874 426137079 /nfs/dbraw/zinc/13/70/79/426137079.db2.gz WTHBVNBJQPMOOD-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CC[N@H+]1CC[C@@H](NCCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000162743969 426074877 /nfs/dbraw/zinc/07/48/77/426074877.db2.gz PYTUJFAAPAAOBP-IEBWSBKVSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@@H](NCCC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000162743969 426074879 /nfs/dbraw/zinc/07/48/79/426074879.db2.gz PYTUJFAAPAAOBP-IEBWSBKVSA-N 3 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@@H](NCCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000162743969 426074883 /nfs/dbraw/zinc/07/48/83/426074883.db2.gz PYTUJFAAPAAOBP-IEBWSBKVSA-N 3 1 303.494 2.828 20 0 DFADMP CC[N@H+]1CC[C@H](NCCC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000162743868 426075014 /nfs/dbraw/zinc/07/50/14/426075014.db2.gz PYTUJFAAPAAOBP-MJGOQNOKSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NCCC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000162743868 426075016 /nfs/dbraw/zinc/07/50/16/426075016.db2.gz PYTUJFAAPAAOBP-MJGOQNOKSA-N 3 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NCCC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000162743868 426075019 /nfs/dbraw/zinc/07/50/19/426075019.db2.gz PYTUJFAAPAAOBP-MJGOQNOKSA-N 3 1 303.494 2.828 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000162823599 426079003 /nfs/dbraw/zinc/07/90/03/426079003.db2.gz RLFXKAIIVBLICJ-SJLPKXTDSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000162823599 426079006 /nfs/dbraw/zinc/07/90/06/426079006.db2.gz RLFXKAIIVBLICJ-SJLPKXTDSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000162823599 426079010 /nfs/dbraw/zinc/07/90/10/426079010.db2.gz RLFXKAIIVBLICJ-SJLPKXTDSA-N 2 1 315.461 2.740 20 0 DFADMP Cc1cnn([C@@H]2CCC[N@@H+](CCCCn3ccnc3C)C2)c1 ZINC000162985885 426085265 /nfs/dbraw/zinc/08/52/65/426085265.db2.gz KZZHSKMJSQJVND-QGZVFWFLSA-N 2 1 301.438 2.814 20 0 DFADMP Cc1cnn([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000162985885 426085269 /nfs/dbraw/zinc/08/52/69/426085269.db2.gz KZZHSKMJSQJVND-QGZVFWFLSA-N 2 1 301.438 2.814 20 0 DFADMP Cc1cnn([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000162985885 426085271 /nfs/dbraw/zinc/08/52/71/426085271.db2.gz KZZHSKMJSQJVND-QGZVFWFLSA-N 2 1 301.438 2.814 20 0 DFADMP CCCCOC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939037 426200867 /nfs/dbraw/zinc/20/08/67/426200867.db2.gz AYPORONZUKWLSP-WBVHZDCISA-N 2 1 308.466 2.669 20 0 DFADMP CCCCOC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134939037 426200871 /nfs/dbraw/zinc/20/08/71/426200871.db2.gz AYPORONZUKWLSP-WBVHZDCISA-N 2 1 308.466 2.669 20 0 DFADMP CCCCOC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134939037 426200875 /nfs/dbraw/zinc/20/08/75/426200875.db2.gz AYPORONZUKWLSP-WBVHZDCISA-N 2 1 308.466 2.669 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccccc2F)CC1 ZINC000171689649 426204371 /nfs/dbraw/zinc/20/43/71/426204371.db2.gz SGOBMILMBLXOIC-UHFFFAOYSA-N 2 1 307.413 2.617 20 0 DFADMP CCC(CC)C[N@@H+](CC)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000114562462 426139084 /nfs/dbraw/zinc/13/90/84/426139084.db2.gz YXOVIJJWJXOTDG-UHFFFAOYSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1nc(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000130300462 426153008 /nfs/dbraw/zinc/15/30/08/426153008.db2.gz YISVCHHNMRRVEB-PBHICJAKSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cs1 ZINC000130300462 426153011 /nfs/dbraw/zinc/15/30/11/426153011.db2.gz YISVCHHNMRRVEB-PBHICJAKSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cs1 ZINC000130300462 426153015 /nfs/dbraw/zinc/15/30/15/426153015.db2.gz YISVCHHNMRRVEB-PBHICJAKSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1nc(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)cs1 ZINC000130300462 426153016 /nfs/dbraw/zinc/15/30/16/426153016.db2.gz YISVCHHNMRRVEB-PBHICJAKSA-N 2 1 305.491 2.943 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c2O1 ZINC000078005828 426154721 /nfs/dbraw/zinc/15/47/21/426154721.db2.gz MZOBZKKNPKAUOX-AWEZNQCLSA-N 2 1 300.446 2.974 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c2O1 ZINC000078005828 426154722 /nfs/dbraw/zinc/15/47/22/426154722.db2.gz MZOBZKKNPKAUOX-AWEZNQCLSA-N 2 1 300.446 2.974 20 0 DFADMP Cc1ccccc1OCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000115546861 426167448 /nfs/dbraw/zinc/16/74/48/426167448.db2.gz OXCBPDUXJGXHGK-UHFFFAOYSA-N 2 1 320.477 2.543 20 0 DFADMP Cc1ccccc1OCCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000115546861 426167452 /nfs/dbraw/zinc/16/74/52/426167452.db2.gz OXCBPDUXJGXHGK-UHFFFAOYSA-N 2 1 320.477 2.543 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000115548910 426167804 /nfs/dbraw/zinc/16/78/04/426167804.db2.gz DPVIZEMKUFRUKD-IBGZPJMESA-N 2 1 302.462 2.843 20 0 DFADMP CCCCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000116392539 426188821 /nfs/dbraw/zinc/18/88/21/426188821.db2.gz DXVKKPWTNSPWEV-GOSISDBHSA-N 2 1 323.525 2.881 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000171527135 426192724 /nfs/dbraw/zinc/19/27/24/426192724.db2.gz BDKOMYYBBLUNNH-QGZVFWFLSA-N 2 1 307.869 2.552 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000079461604 426193782 /nfs/dbraw/zinc/19/37/82/426193782.db2.gz PNUUTWFEFICJLL-AEFFLSMTSA-N 2 1 317.477 2.986 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000079461604 426193785 /nfs/dbraw/zinc/19/37/85/426193785.db2.gz PNUUTWFEFICJLL-AEFFLSMTSA-N 2 1 317.477 2.986 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000079461604 426193787 /nfs/dbraw/zinc/19/37/87/426193787.db2.gz PNUUTWFEFICJLL-AEFFLSMTSA-N 2 1 317.477 2.986 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000136296562 426239815 /nfs/dbraw/zinc/23/98/15/426239815.db2.gz ARRLREHRYFVTSO-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000136296562 426239816 /nfs/dbraw/zinc/23/98/16/426239816.db2.gz ARRLREHRYFVTSO-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP c1ccc2c(c1)CCCN2CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000136366391 426240800 /nfs/dbraw/zinc/24/08/00/426240800.db2.gz PYHHGLYJTZJLJU-UHFFFAOYSA-N 2 1 313.489 2.999 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000118842420 426248014 /nfs/dbraw/zinc/24/80/14/426248014.db2.gz LLFCEQWENKDDKI-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000118842420 426248017 /nfs/dbraw/zinc/24/80/17/426248017.db2.gz LLFCEQWENKDDKI-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000118842420 426248020 /nfs/dbraw/zinc/24/80/20/426248020.db2.gz LLFCEQWENKDDKI-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000118841814 426248805 /nfs/dbraw/zinc/24/88/05/426248805.db2.gz APPHUGFOWZZFPS-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000118841814 426248807 /nfs/dbraw/zinc/24/88/07/426248807.db2.gz APPHUGFOWZZFPS-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000118841814 426248810 /nfs/dbraw/zinc/24/88/10/426248810.db2.gz APPHUGFOWZZFPS-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)CN2CCCCC2)cc1 ZINC000151340747 426290844 /nfs/dbraw/zinc/29/08/44/426290844.db2.gz MSSMKKPZUPJORV-WBVHZDCISA-N 2 1 306.450 2.583 20 0 DFADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000119566671 426297265 /nfs/dbraw/zinc/29/72/65/426297265.db2.gz OUZAJCDLBMRFPK-APWZRJJASA-N 2 1 313.489 2.866 20 0 DFADMP CC[C@H](CNC1CC[NH+](Cc2cccnc2)CC1)[NH+]1CCCC1 ZINC000151718597 426309528 /nfs/dbraw/zinc/30/95/28/426309528.db2.gz RPFAYYDDXJFXCV-LJQANCHMSA-N 2 1 316.493 2.510 20 0 DFADMP CCCC[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000120345250 426310052 /nfs/dbraw/zinc/31/00/52/426310052.db2.gz UIASDAVOXHHWGO-OAHLLOKOSA-N 2 1 313.486 2.754 20 0 DFADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc(Cl)c1OC ZINC000120994052 426318954 /nfs/dbraw/zinc/31/89/54/426318954.db2.gz LHJXEJGXMQAERT-GFCCVEGCSA-N 2 1 312.841 2.741 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc(Cl)c1OC ZINC000120994052 426318956 /nfs/dbraw/zinc/31/89/56/426318956.db2.gz LHJXEJGXMQAERT-GFCCVEGCSA-N 2 1 312.841 2.741 20 0 DFADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc(Cl)c1OC ZINC000120994052 426318958 /nfs/dbraw/zinc/31/89/58/426318958.db2.gz LHJXEJGXMQAERT-GFCCVEGCSA-N 2 1 312.841 2.741 20 0 DFADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc(Cl)c1OC ZINC000120994052 426318961 /nfs/dbraw/zinc/31/89/61/426318961.db2.gz LHJXEJGXMQAERT-GFCCVEGCSA-N 2 1 312.841 2.741 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)c1 ZINC000121231791 426326977 /nfs/dbraw/zinc/32/69/77/426326977.db2.gz PVHPHNNCYTUWBV-RGCFKVTRSA-N 2 1 319.493 2.616 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+](C)C)c1 ZINC000121231791 426326980 /nfs/dbraw/zinc/32/69/80/426326980.db2.gz PVHPHNNCYTUWBV-RGCFKVTRSA-N 2 1 319.493 2.616 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)c1 ZINC000121231791 426326984 /nfs/dbraw/zinc/32/69/84/426326984.db2.gz PVHPHNNCYTUWBV-RGCFKVTRSA-N 2 1 319.493 2.616 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2([C@H](O)c3ccccc3)CC2)[C@H](C)C1 ZINC000090770565 426330438 /nfs/dbraw/zinc/33/04/38/426330438.db2.gz BLRSWYDUWXNKCX-KBAYOESNSA-N 2 1 302.462 2.820 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000090721632 426330587 /nfs/dbraw/zinc/33/05/87/426330587.db2.gz CDUFFGRYNPVNIX-AAEUAGOBSA-N 2 1 310.825 2.684 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000090721632 426330591 /nfs/dbraw/zinc/33/05/91/426330591.db2.gz CDUFFGRYNPVNIX-AAEUAGOBSA-N 2 1 310.825 2.684 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc(C(F)(F)F)cs2)CC[N@H+]1C ZINC000152192915 426331128 /nfs/dbraw/zinc/33/11/28/426331128.db2.gz GEFFGBOPBIWHRA-ZJUUUORDSA-N 2 1 307.385 2.777 20 0 DFADMP C[C@@H]1C[N@H+](C2CCN(CCc3ccccc3F)CC2)CCO1 ZINC000121341009 426335172 /nfs/dbraw/zinc/33/51/72/426335172.db2.gz ULRMRZNELPJCEJ-OAHLLOKOSA-N 2 1 306.425 2.553 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000122818071 426395847 /nfs/dbraw/zinc/39/58/47/426395847.db2.gz JYNJQLVFYLIQPJ-MRXNPFEDSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000122818071 426395850 /nfs/dbraw/zinc/39/58/50/426395850.db2.gz JYNJQLVFYLIQPJ-MRXNPFEDSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000122809132 426396219 /nfs/dbraw/zinc/39/62/19/426396219.db2.gz RMOUVMHZKCVWEL-ZFWWWQNUSA-N 2 1 304.434 2.765 20 0 DFADMP C1=CC[C@H](C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000122818417 426396396 /nfs/dbraw/zinc/39/63/96/426396396.db2.gz XTGSWIQMDWCEPJ-KRWDZBQOSA-N 2 1 300.446 2.965 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000122857053 426398343 /nfs/dbraw/zinc/39/83/43/426398343.db2.gz JRGMOVZAVIPIQG-CQSZACIVSA-N 2 1 300.406 2.692 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000122857053 426398346 /nfs/dbraw/zinc/39/83/46/426398346.db2.gz JRGMOVZAVIPIQG-CQSZACIVSA-N 2 1 300.406 2.692 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000122856361 426398812 /nfs/dbraw/zinc/39/88/12/426398812.db2.gz MQAMZAOVXSATPQ-ZDUSSCGKSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]1CCC[C@@H](C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000092796438 426353243 /nfs/dbraw/zinc/35/32/43/426353243.db2.gz ZGAPTDHKWBDIKK-OTWHNJEPSA-N 2 1 307.526 2.915 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000153776134 426405569 /nfs/dbraw/zinc/40/55/69/426405569.db2.gz IGRMACQNKFTJAN-ZDUSSCGKSA-N 2 1 307.463 2.915 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000152878739 426358455 /nfs/dbraw/zinc/35/84/55/426358455.db2.gz NWJWXDVIZYILHH-HNAYVOBHSA-N 2 1 320.452 2.990 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC000122216649 426364461 /nfs/dbraw/zinc/36/44/61/426364461.db2.gz XHSOOAGLSHKVRW-AWEZNQCLSA-N 2 1 324.469 2.509 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nnc(C)o2)CC1 ZINC000122216649 426364463 /nfs/dbraw/zinc/36/44/63/426364463.db2.gz XHSOOAGLSHKVRW-AWEZNQCLSA-N 2 1 324.469 2.509 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000153171767 426373773 /nfs/dbraw/zinc/37/37/73/426373773.db2.gz GDJOCBNUPABGLH-ZBFHGGJFSA-N 2 1 320.477 2.911 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122712686 426390023 /nfs/dbraw/zinc/39/00/23/426390023.db2.gz CTYURTPCQJBXGU-HNNXBMFYSA-N 2 1 309.885 2.970 20 0 DFADMP CCOc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153840520 426409017 /nfs/dbraw/zinc/40/90/17/426409017.db2.gz YUKJBQGHIYBMKJ-LZWOXQAQSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153840520 426409022 /nfs/dbraw/zinc/40/90/22/426409022.db2.gz YUKJBQGHIYBMKJ-LZWOXQAQSA-N 2 1 306.450 2.912 20 0 DFADMP CC[C@H](CN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000123093854 426414102 /nfs/dbraw/zinc/41/41/02/426414102.db2.gz DXIXTGYZANKKGE-LSTHTHJFSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000123093854 426414104 /nfs/dbraw/zinc/41/41/04/426414104.db2.gz DXIXTGYZANKKGE-LSTHTHJFSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](CN[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000123093854 426414108 /nfs/dbraw/zinc/41/41/08/426414108.db2.gz DXIXTGYZANKKGE-LSTHTHJFSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000123093854 426414110 /nfs/dbraw/zinc/41/41/10/426414110.db2.gz DXIXTGYZANKKGE-LSTHTHJFSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000123093854 426414113 /nfs/dbraw/zinc/41/41/13/426414113.db2.gz DXIXTGYZANKKGE-LSTHTHJFSA-N 2 1 315.505 2.896 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N(C)C[C@@H]1CCC[NH+]1CC)c1ccccc1 ZINC000177032812 426436806 /nfs/dbraw/zinc/43/68/06/426436806.db2.gz SUBDJGVCDHRKDR-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C[C@@H]1CCC[NH+]1CC)c1ccccc1 ZINC000177032812 426436810 /nfs/dbraw/zinc/43/68/10/426436810.db2.gz SUBDJGVCDHRKDR-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000177032812 426436813 /nfs/dbraw/zinc/43/68/13/426436813.db2.gz SUBDJGVCDHRKDR-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000177032812 426436816 /nfs/dbraw/zinc/43/68/16/426436816.db2.gz SUBDJGVCDHRKDR-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000123540635 426438752 /nfs/dbraw/zinc/43/87/52/426438752.db2.gz SFQXOJBXEIMRND-ZDUSSCGKSA-N 2 1 319.371 2.644 20 0 DFADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000341068936 269037811 /nfs/dbraw/zinc/03/78/11/269037811.db2.gz ZDKLSLWNFQGTPO-APWZRJJASA-N 2 1 304.478 2.992 20 0 DFADMP Cc1cccn2c(C[NH2+]CCc3ccc4cn[nH]c4c3)cnc12 ZINC000341263869 269054890 /nfs/dbraw/zinc/05/48/90/269054890.db2.gz FBNHFKCNWGIYGY-UHFFFAOYSA-N 2 1 305.385 2.851 20 0 DFADMP CCc1noc(-c2ccc(CC[NH2+]C3CC[NH+](C)CC3)cc2)n1 ZINC000177305222 426464936 /nfs/dbraw/zinc/46/49/36/426464936.db2.gz AIGSQKDHBWYSSN-UHFFFAOYSA-N 2 1 314.433 2.525 20 0 DFADMP C[C@H](CCc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000177302866 426465769 /nfs/dbraw/zinc/46/57/69/426465769.db2.gz WEDBYGGZPJOTQZ-GOSISDBHSA-N 2 1 303.494 2.625 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)C[N@H+](C)Cc2ccccc2)c1 ZINC000124103710 426469697 /nfs/dbraw/zinc/46/96/97/426469697.db2.gz CMXCEBVYWCIMCL-UHFFFAOYSA-N 2 1 311.429 2.867 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000124103710 426469700 /nfs/dbraw/zinc/46/97/00/426469700.db2.gz CMXCEBVYWCIMCL-UHFFFAOYSA-N 2 1 311.429 2.867 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000124357737 426481929 /nfs/dbraw/zinc/48/19/29/426481929.db2.gz JPMKEOGHNYHATQ-HOCLYGCPSA-N 2 1 318.461 2.709 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000124381111 426482676 /nfs/dbraw/zinc/48/26/76/426482676.db2.gz HZKHQUCHEIXNPG-KGLIPLIRSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000124381111 426482679 /nfs/dbraw/zinc/48/26/79/426482679.db2.gz HZKHQUCHEIXNPG-KGLIPLIRSA-N 2 1 304.434 2.839 20 0 DFADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272364370 426506716 /nfs/dbraw/zinc/50/67/16/426506716.db2.gz SPBSZPJDGWXSGD-SNRMKQJTSA-N 2 1 302.462 2.912 20 0 DFADMP CC[NH+]1CCC(N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272368563 426509438 /nfs/dbraw/zinc/50/94/38/426509438.db2.gz UIUYJMRREDYNDA-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750953 426514643 /nfs/dbraw/zinc/51/46/43/426514643.db2.gz FXYUVGSABASKPQ-OFQRWUPVSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750953 426514646 /nfs/dbraw/zinc/51/46/46/426514646.db2.gz FXYUVGSABASKPQ-OFQRWUPVSA-N 2 1 317.433 2.777 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000177756752 426516655 /nfs/dbraw/zinc/51/66/55/426516655.db2.gz PURDNEKFCSRPAG-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCSC2)C[C@H](C)O1 ZINC000177888782 426534505 /nfs/dbraw/zinc/53/45/05/426534505.db2.gz TVYVRQXPUMGAGP-RVKKMQEKSA-N 2 1 320.502 2.891 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(OC(C)C)C2)[C@H](C)C1 ZINC000186552355 426547775 /nfs/dbraw/zinc/54/77/75/426547775.db2.gz MPGJFCQUEKITHQ-CPFNUKBASA-N 2 1 312.498 2.669 20 0 DFADMP c1cn(-c2cccc(-c3noc([C@H]4CCC[N@H+]4C4CC4)n3)n2)cn1 ZINC000288903691 426549677 /nfs/dbraw/zinc/54/96/77/426549677.db2.gz BNQPOFARJPEGQR-CQSZACIVSA-N 2 1 322.372 2.617 20 0 DFADMP c1cn(-c2cccc(-c3noc([C@H]4CCC[N@@H+]4C4CC4)n3)n2)cn1 ZINC000288903691 426549681 /nfs/dbraw/zinc/54/96/81/426549681.db2.gz BNQPOFARJPEGQR-CQSZACIVSA-N 2 1 322.372 2.617 20 0 DFADMP Cc1cc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)no1 ZINC000177497770 426489832 /nfs/dbraw/zinc/48/98/32/426489832.db2.gz YJDGXRTTZKZRST-HOTGVXAUSA-N 2 1 321.465 2.694 20 0 DFADMP Cc1cnc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000177494532 426489847 /nfs/dbraw/zinc/48/98/47/426489847.db2.gz GPFQYRUGPHYYEL-HZPDHXFCSA-N 2 1 321.465 2.694 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000280046112 426502892 /nfs/dbraw/zinc/50/28/92/426502892.db2.gz JGMZKSIPPUIARK-NBMJBFSESA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000280046112 426502896 /nfs/dbraw/zinc/50/28/96/426502896.db2.gz JGMZKSIPPUIARK-NBMJBFSESA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272705144 426573078 /nfs/dbraw/zinc/57/30/78/426573078.db2.gz UAYMNQAZOVREFG-QXCFHYIPSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607583 426613891 /nfs/dbraw/zinc/61/38/91/426613891.db2.gz XLLJBQWCMWDWCC-YSHGAJCASA-N 2 1 300.446 2.618 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607583 426613901 /nfs/dbraw/zinc/61/39/01/426613901.db2.gz XLLJBQWCMWDWCC-YSHGAJCASA-N 2 1 300.446 2.618 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607583 426613909 /nfs/dbraw/zinc/61/39/09/426613909.db2.gz XLLJBQWCMWDWCC-YSHGAJCASA-N 2 1 300.446 2.618 20 0 DFADMP O[C@H](CCc1ccccc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000273211720 426617098 /nfs/dbraw/zinc/61/70/98/426617098.db2.gz NKRPSPUSZWHRKB-HXUWFJFHSA-N 2 1 316.489 2.930 20 0 DFADMP CC[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000178388687 426619975 /nfs/dbraw/zinc/61/99/75/426619975.db2.gz UWTSXWOOSUHADI-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000178033091 426557847 /nfs/dbraw/zinc/55/78/47/426557847.db2.gz SVFBPEABRHWNEV-CQSZACIVSA-N 2 1 303.450 2.954 20 0 DFADMP Brc1cncc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c1 ZINC000186595231 426558626 /nfs/dbraw/zinc/55/86/26/426558626.db2.gz QCWMGMIHIZZFAN-UHFFFAOYSA-N 2 1 324.266 2.808 20 0 DFADMP C[C@H]([NH2+]CCOCC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562912 426558687 /nfs/dbraw/zinc/55/86/87/426558687.db2.gz UOUSNFBQMNJWLE-LPHOPBHVSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000289382454 426643672 /nfs/dbraw/zinc/64/36/72/426643672.db2.gz BRZPBLLTBFBFEW-MTQWCTHYSA-N 2 1 314.473 2.710 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000289382454 426643674 /nfs/dbraw/zinc/64/36/74/426643674.db2.gz BRZPBLLTBFBFEW-MTQWCTHYSA-N 2 1 314.473 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000289382454 426643678 /nfs/dbraw/zinc/64/36/78/426643678.db2.gz BRZPBLLTBFBFEW-MTQWCTHYSA-N 2 1 314.473 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000289382454 426643681 /nfs/dbraw/zinc/64/36/81/426643681.db2.gz BRZPBLLTBFBFEW-MTQWCTHYSA-N 2 1 314.473 2.710 20 0 DFADMP CCC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC)cc1 ZINC000178520711 426644785 /nfs/dbraw/zinc/64/47/85/426644785.db2.gz KRLSSPYKOVTNMU-LJQANCHMSA-N 2 1 320.477 2.973 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000290065859 426686499 /nfs/dbraw/zinc/68/64/99/426686499.db2.gz FPPAOMUBSADGQR-SFHVURJKSA-N 2 1 311.429 2.875 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000289447632 426659669 /nfs/dbraw/zinc/65/96/69/426659669.db2.gz UMLXKMVDXVGHTD-SZVBFZGTSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000289447632 426659674 /nfs/dbraw/zinc/65/96/74/426659674.db2.gz UMLXKMVDXVGHTD-SZVBFZGTSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000289447632 426659675 /nfs/dbraw/zinc/65/96/75/426659675.db2.gz UMLXKMVDXVGHTD-SZVBFZGTSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000289447632 426659677 /nfs/dbraw/zinc/65/96/77/426659677.db2.gz UMLXKMVDXVGHTD-SZVBFZGTSA-N 2 1 302.462 2.628 20 0 DFADMP COCCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000178616893 426664987 /nfs/dbraw/zinc/66/49/87/426664987.db2.gz LIORGNGBAMRLTK-DLBZAZTESA-N 2 1 320.477 2.812 20 0 DFADMP COCCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000178616893 426664991 /nfs/dbraw/zinc/66/49/91/426664991.db2.gz LIORGNGBAMRLTK-DLBZAZTESA-N 2 1 320.477 2.812 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000265644946 426666082 /nfs/dbraw/zinc/66/60/82/426666082.db2.gz KMWSBNXYXXDVDW-LBPRGKRZSA-N 2 1 317.824 2.919 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000289474651 426666627 /nfs/dbraw/zinc/66/66/27/426666627.db2.gz BEQRPMLHLARHRN-MSOLQXFVSA-N 2 1 317.477 2.531 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000289520869 426669718 /nfs/dbraw/zinc/66/97/18/426669718.db2.gz FYNLJQZKFNXCCH-JKSUJKDBSA-N 2 1 305.809 2.736 20 0 DFADMP c1ccc(C[NH+]2CCC(N[C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000236682839 426675794 /nfs/dbraw/zinc/67/57/94/426675794.db2.gz KGFDHEAQMWXIPI-PMACEKPBSA-N 2 1 313.489 2.867 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+]C3)c2C1 ZINC000236721334 426680200 /nfs/dbraw/zinc/68/02/00/426680200.db2.gz TZNHUMWHWCFXJQ-AWEZNQCLSA-N 2 1 301.434 2.596 20 0 DFADMP COC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716322 426680434 /nfs/dbraw/zinc/68/04/34/426680434.db2.gz YPTDHVBSZOZKGH-RDJZCZTQSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716322 426680440 /nfs/dbraw/zinc/68/04/40/426680440.db2.gz YPTDHVBSZOZKGH-RDJZCZTQSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716322 426680445 /nfs/dbraw/zinc/68/04/45/426680445.db2.gz YPTDHVBSZOZKGH-RDJZCZTQSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000178716322 426680447 /nfs/dbraw/zinc/68/04/47/426680447.db2.gz YPTDHVBSZOZKGH-RDJZCZTQSA-N 2 1 304.434 2.534 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+]C3)c2C1 ZINC000236721169 426680998 /nfs/dbraw/zinc/68/09/98/426680998.db2.gz TZNHUMWHWCFXJQ-CQSZACIVSA-N 2 1 301.434 2.596 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000289295425 426623150 /nfs/dbraw/zinc/62/31/50/426623150.db2.gz QEQYXXRXJZKJLK-CQSZACIVSA-N 2 1 315.383 2.891 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CCN(CC(F)(F)F)[C@H](C)C1 ZINC000289295425 426623155 /nfs/dbraw/zinc/62/31/55/426623155.db2.gz QEQYXXRXJZKJLK-CQSZACIVSA-N 2 1 315.383 2.891 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CCC1 ZINC000178414429 426624029 /nfs/dbraw/zinc/62/40/29/426624029.db2.gz LVXJBLRHOJQNKD-INIZCTEOSA-N 2 1 301.478 2.712 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236947406 426686002 /nfs/dbraw/zinc/68/60/02/426686002.db2.gz ILAPZEAUFIEXFX-PBHICJAKSA-N 2 1 305.466 2.516 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440966 426628517 /nfs/dbraw/zinc/62/85/17/426628517.db2.gz WOOJYUUHDRWBRY-WMZOPIPTSA-N 2 1 315.461 2.821 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440966 426628520 /nfs/dbraw/zinc/62/85/20/426628520.db2.gz WOOJYUUHDRWBRY-WMZOPIPTSA-N 2 1 315.461 2.821 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440966 426628525 /nfs/dbraw/zinc/62/85/25/426628525.db2.gz WOOJYUUHDRWBRY-WMZOPIPTSA-N 2 1 315.461 2.821 20 0 DFADMP C[N@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cnn(Cc3ccccc3)c1)C2 ZINC000178437767 426628852 /nfs/dbraw/zinc/62/88/52/426628852.db2.gz LHTXXTJEZXZRBC-YQQQUEKLSA-N 2 1 310.445 2.646 20 0 DFADMP C[N@@H+]1[C@@H]2CC[C@H]1CC([NH2+]Cc1cnn(Cc3ccccc3)c1)C2 ZINC000178437767 426628859 /nfs/dbraw/zinc/62/88/59/426628859.db2.gz LHTXXTJEZXZRBC-YQQQUEKLSA-N 2 1 310.445 2.646 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)CCc2ccccc2)CC1 ZINC000273260700 426630526 /nfs/dbraw/zinc/63/05/26/426630526.db2.gz XXAAHVRPGCUSFD-LJQANCHMSA-N 2 1 304.478 2.785 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccs1 ZINC000237085714 426689239 /nfs/dbraw/zinc/68/92/39/426689239.db2.gz MEFNSMFZCGSMIG-BPLDGKMQSA-N 2 1 323.506 2.621 20 0 DFADMP [NH3+][C@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000238006567 426703221 /nfs/dbraw/zinc/70/32/21/426703221.db2.gz RWDLGZZBMOIWAR-MSOLQXFVSA-N 2 1 321.509 2.619 20 0 DFADMP C[C@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245973257 426789938 /nfs/dbraw/zinc/78/99/38/426789938.db2.gz WRAAFQLGGVWTBY-IXDOHACOSA-N 2 1 323.525 2.828 20 0 DFADMP COC[C@H](C)[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000179370585 426782793 /nfs/dbraw/zinc/78/27/93/426782793.db2.gz NGGUFKQVMVUFHR-INIZCTEOSA-N 2 1 319.493 2.684 20 0 DFADMP CCn1nc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000274504993 426783217 /nfs/dbraw/zinc/78/32/17/426783217.db2.gz SVJSLVVUAILAAY-MAUKXSAKSA-N 2 1 312.461 2.972 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cncs1 ZINC000290520240 426783753 /nfs/dbraw/zinc/78/37/53/426783753.db2.gz YYJCNXAJKVCWQV-ZDUSSCGKSA-N 2 1 320.462 2.719 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000266860748 426785649 /nfs/dbraw/zinc/78/56/49/426785649.db2.gz JUGADCHSBKDVFE-UHOFOFEASA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000266860748 426785654 /nfs/dbraw/zinc/78/56/54/426785654.db2.gz JUGADCHSBKDVFE-UHOFOFEASA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000266860748 426785659 /nfs/dbraw/zinc/78/56/59/426785659.db2.gz JUGADCHSBKDVFE-UHOFOFEASA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000266860748 426785662 /nfs/dbraw/zinc/78/56/62/426785662.db2.gz JUGADCHSBKDVFE-UHOFOFEASA-N 2 1 312.404 2.660 20 0 DFADMP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000188790202 426788262 /nfs/dbraw/zinc/78/82/62/426788262.db2.gz ZWNGPZGGHPBTMR-OALUTQOASA-N 2 1 320.452 2.990 20 0 DFADMP O[C@@H](C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1ccco1 ZINC000178976654 426729964 /nfs/dbraw/zinc/72/99/64/426729964.db2.gz FZLJPLHSRYGIEB-SFHVURJKSA-N 2 1 314.429 2.815 20 0 DFADMP OCCC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000178976055 426730216 /nfs/dbraw/zinc/73/02/16/426730216.db2.gz OJKZCYGFYXUDIV-LJQANCHMSA-N 2 1 302.462 2.748 20 0 DFADMP OCCC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000178976044 426730290 /nfs/dbraw/zinc/73/02/90/426730290.db2.gz OJKZCYGFYXUDIV-IBGZPJMESA-N 2 1 302.462 2.748 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C2CC2)C2CCCC2)[C@@H](C)C1 ZINC000245413676 426737325 /nfs/dbraw/zinc/73/73/25/426737325.db2.gz BREKLYFXCSMIGE-MAUKXSAKSA-N 2 1 321.509 2.582 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CC2 ZINC000179023304 426737366 /nfs/dbraw/zinc/73/73/66/426737366.db2.gz GTKNECLZDDXUDD-KDOFPFPSSA-N 2 1 313.445 2.983 20 0 DFADMP C[N@@H+](C[C@]1(O)CCN(Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275381 426737579 /nfs/dbraw/zinc/73/75/79/426737579.db2.gz BRAASBWTQHSMHM-RBUKOAKNSA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275381 426737591 /nfs/dbraw/zinc/73/75/91/426737591.db2.gz BRAASBWTQHSMHM-RBUKOAKNSA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275381 426737592 /nfs/dbraw/zinc/73/75/92/426737592.db2.gz BRAASBWTQHSMHM-RBUKOAKNSA-N 2 1 300.446 2.664 20 0 DFADMP CCn1nc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c2ccccc21 ZINC000290310004 426738623 /nfs/dbraw/zinc/73/86/23/426738623.db2.gz CAIGHXXPRHSWET-QAPCUYQASA-N 2 1 312.461 2.972 20 0 DFADMP CCn1nc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c2ccccc21 ZINC000290310009 426739527 /nfs/dbraw/zinc/73/95/27/426739527.db2.gz CAIGHXXPRHSWET-YJBOKZPZSA-N 2 1 312.461 2.972 20 0 DFADMP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000188790225 426788719 /nfs/dbraw/zinc/78/87/19/426788719.db2.gz ZWNGPZGGHPBTMR-RTBURBONSA-N 2 1 320.452 2.990 20 0 DFADMP CC[NH+]1CCN(c2ccccc2N[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000245563359 426752618 /nfs/dbraw/zinc/75/26/18/426752618.db2.gz MQAYSUHLVBBMDU-IRXDYDNUSA-N 2 1 316.493 2.723 20 0 DFADMP c1cn2cc(CN3CC[C@@H]4[C@H](CCC[N@H+]4C4CC4)C3)nc2s1 ZINC000179181288 426764836 /nfs/dbraw/zinc/76/48/36/426764836.db2.gz DXEOHEOSLKIGCN-CZUORRHYSA-N 2 1 316.474 2.845 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245716111 426766024 /nfs/dbraw/zinc/76/60/24/426766024.db2.gz OCDGRTRNVXDJQR-RHQZKXFESA-N 2 1 300.446 2.685 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000266940659 426799900 /nfs/dbraw/zinc/79/99/00/426799900.db2.gz WHHUQSYQUPZKFY-UHFFFAOYSA-N 2 1 317.477 2.744 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C(C)(C)C)n1 ZINC000180393261 426856995 /nfs/dbraw/zinc/85/69/95/426856995.db2.gz IAJUJLOLQYBVED-OAHLLOKOSA-N 2 1 304.482 2.635 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C(C)(C)C)n1 ZINC000180393261 426857000 /nfs/dbraw/zinc/85/70/00/426857000.db2.gz IAJUJLOLQYBVED-OAHLLOKOSA-N 2 1 304.482 2.635 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000246144940 426803730 /nfs/dbraw/zinc/80/37/30/426803730.db2.gz GSGQNJZYLMUIHT-WBVHZDCISA-N 2 1 319.493 2.772 20 0 DFADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc(OC)c1 ZINC000290610934 426804763 /nfs/dbraw/zinc/80/47/63/426804763.db2.gz WMVCEHXXMYDRND-MAUKXSAKSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc(OC)c1 ZINC000290610934 426804767 /nfs/dbraw/zinc/80/47/67/426804767.db2.gz WMVCEHXXMYDRND-MAUKXSAKSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc(OC)c1 ZINC000290610938 426804917 /nfs/dbraw/zinc/80/49/17/426804917.db2.gz WMVCEHXXMYDRND-YJBOKZPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc(OC)c1 ZINC000290610938 426804921 /nfs/dbraw/zinc/80/49/21/426804921.db2.gz WMVCEHXXMYDRND-YJBOKZPZSA-N 2 1 304.434 2.620 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000246163229 426805605 /nfs/dbraw/zinc/80/56/05/426805605.db2.gz ALPUOOVQRQKOPC-DLBZAZTESA-N 2 1 321.509 2.619 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@H](Cc2ccccc2)C1 ZINC000189039768 426813211 /nfs/dbraw/zinc/81/32/11/426813211.db2.gz VLKJHRUCGRMXGB-RTBURBONSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@H](c1ccccn1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267079259 426821999 /nfs/dbraw/zinc/82/19/99/426821999.db2.gz QKFJJANUJANYHE-IXDOHACOSA-N 2 1 317.477 2.964 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000246375409 426826083 /nfs/dbraw/zinc/82/60/83/426826083.db2.gz HWPCHTKNVOMSSS-XLAORIBOSA-N 2 1 323.525 2.732 20 0 DFADMP Cc1cccc2c1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000282085559 426827171 /nfs/dbraw/zinc/82/71/71/426827171.db2.gz OHDWBQUEACTRTN-UHFFFAOYSA-N 2 1 315.505 2.769 20 0 DFADMP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000246423085 426832791 /nfs/dbraw/zinc/83/27/91/426832791.db2.gz NILDMHVDBZYGHQ-GPMSIDNRSA-N 2 1 316.493 2.679 20 0 DFADMP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000246423085 426832794 /nfs/dbraw/zinc/83/27/94/426832794.db2.gz NILDMHVDBZYGHQ-GPMSIDNRSA-N 2 1 316.493 2.679 20 0 DFADMP CCC[C@@H](C)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000180073473 426833340 /nfs/dbraw/zinc/83/33/40/426833340.db2.gz YKGLLWCKQILYDM-QGZVFWFLSA-N 2 1 323.525 2.689 20 0 DFADMP c1cnn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000180112222 426835540 /nfs/dbraw/zinc/83/55/40/426835540.db2.gz WMGSKQVVUIEXJX-YQQQUEKLSA-N 2 1 310.445 2.668 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1(C)C ZINC000282141652 426837562 /nfs/dbraw/zinc/83/75/62/426837562.db2.gz CCCMWIWUFJMWMQ-OALUTQOASA-N 2 1 315.505 2.938 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246499360 426839437 /nfs/dbraw/zinc/83/94/37/426839437.db2.gz SLGMYTWHEOTQEK-HDMKZQKVSA-N 2 1 320.477 2.955 20 0 DFADMP COC(C)(C)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170628 426839909 /nfs/dbraw/zinc/83/99/09/426839909.db2.gz VBDSXHNZKJDUCY-OKZBNKHCSA-N 2 1 302.462 2.912 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000246538704 426842734 /nfs/dbraw/zinc/84/27/34/426842734.db2.gz SIOOCALZYRIRRB-CVEARBPZSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000246626412 426851112 /nfs/dbraw/zinc/85/11/12/426851112.db2.gz FHNBUZSPLKENFS-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000246626412 426851121 /nfs/dbraw/zinc/85/11/21/426851121.db2.gz FHNBUZSPLKENFS-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000246626412 426851126 /nfs/dbraw/zinc/85/11/26/426851126.db2.gz FHNBUZSPLKENFS-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246626412 426851132 /nfs/dbraw/zinc/85/11/32/426851132.db2.gz FHNBUZSPLKENFS-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000246626412 426851136 /nfs/dbraw/zinc/85/11/36/426851136.db2.gz FHNBUZSPLKENFS-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275785448 426918443 /nfs/dbraw/zinc/91/84/43/426918443.db2.gz YCJHPMHHBWABET-WOJBJXKFSA-N 2 1 316.489 2.885 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000275785446 426919728 /nfs/dbraw/zinc/91/97/28/426919728.db2.gz YCJHPMHHBWABET-VQTJNVASSA-N 2 1 316.489 2.885 20 0 DFADMP C[C@H](CCc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282236218 426860576 /nfs/dbraw/zinc/86/05/76/426860576.db2.gz IUSXJDPWEQMXGP-QGZVFWFLSA-N 2 1 303.494 2.623 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282293554 426874513 /nfs/dbraw/zinc/87/45/13/426874513.db2.gz QQOUOYFKSBSWPC-AWEZNQCLSA-N 2 1 318.490 2.970 20 0 DFADMP CN(CC[N@H+](C)Cc1ccc(Cl)s1)C1CC[NH+](C)CC1 ZINC000267464845 426879067 /nfs/dbraw/zinc/87/90/67/426879067.db2.gz LLOYFKXXVPSEQB-UHFFFAOYSA-N 2 1 315.914 2.859 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccc(Cl)s1)C1CC[NH+](C)CC1 ZINC000267464845 426879074 /nfs/dbraw/zinc/87/90/74/426879074.db2.gz LLOYFKXXVPSEQB-UHFFFAOYSA-N 2 1 315.914 2.859 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCCN(Cc2ccncc2)CC1 ZINC000275614420 426880258 /nfs/dbraw/zinc/88/02/58/426880258.db2.gz JALYGTBKMUFVLJ-IBGZPJMESA-N 2 1 310.445 2.963 20 0 DFADMP CN(Cc1ccccn1)[C@H]1CCC[N@H+](Cc2ccncc2)CC1 ZINC000275614420 426880267 /nfs/dbraw/zinc/88/02/67/426880267.db2.gz JALYGTBKMUFVLJ-IBGZPJMESA-N 2 1 310.445 2.963 20 0 DFADMP CN(Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000275614420 426880273 /nfs/dbraw/zinc/88/02/73/426880273.db2.gz JALYGTBKMUFVLJ-IBGZPJMESA-N 2 1 310.445 2.963 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000268033300 426895502 /nfs/dbraw/zinc/89/55/02/426895502.db2.gz MZXHRBFEFMEAGW-OAHLLOKOSA-N 2 1 323.506 2.804 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000268033300 426895504 /nfs/dbraw/zinc/89/55/04/426895504.db2.gz MZXHRBFEFMEAGW-OAHLLOKOSA-N 2 1 323.506 2.804 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000305272967 426906572 /nfs/dbraw/zinc/90/65/72/426906572.db2.gz AJSFBQOEFUODLU-WZGPROSRSA-N 2 1 302.462 2.758 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000247169307 426911609 /nfs/dbraw/zinc/91/16/09/426911609.db2.gz YKXCVOJUKJMIDS-XLMAVXFVSA-N 2 1 301.478 2.756 20 0 DFADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000275755390 426912736 /nfs/dbraw/zinc/91/27/36/426912736.db2.gz BTCUQIDTGFVQLV-UHFFFAOYSA-N 2 1 312.417 2.504 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)CC1 ZINC000247189136 426913001 /nfs/dbraw/zinc/91/30/01/426913001.db2.gz VQKMTFKOQQYMSW-CRAIPNDOSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000316889354 426952457 /nfs/dbraw/zinc/95/24/57/426952457.db2.gz SBSRMLYPBRUWNL-STQMWFEESA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000316889354 426952465 /nfs/dbraw/zinc/95/24/65/426952465.db2.gz SBSRMLYPBRUWNL-STQMWFEESA-N 2 1 314.376 2.856 20 0 DFADMP CCC[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295418328 426952622 /nfs/dbraw/zinc/95/26/22/426952622.db2.gz XXZKJIUYAPFNAY-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295418328 426952629 /nfs/dbraw/zinc/95/26/29/426952629.db2.gz XXZKJIUYAPFNAY-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295418328 426952634 /nfs/dbraw/zinc/95/26/34/426952634.db2.gz XXZKJIUYAPFNAY-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C)O[C@@H](C)C2 ZINC000317141037 426955726 /nfs/dbraw/zinc/95/57/26/426955726.db2.gz KBUXVUDXZBNOHN-BBRMVZONSA-N 2 1 306.450 2.824 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C)O[C@@H](C)C2 ZINC000317141037 426955731 /nfs/dbraw/zinc/95/57/31/426955731.db2.gz KBUXVUDXZBNOHN-BBRMVZONSA-N 2 1 306.450 2.824 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337758770 426956871 /nfs/dbraw/zinc/95/68/71/426956871.db2.gz NOGYYKGKIVAQHP-IEZWGBDMSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@@](C)(C[NH3+])C1)c1ccccc1 ZINC000337758770 426956878 /nfs/dbraw/zinc/95/68/78/426956878.db2.gz NOGYYKGKIVAQHP-IEZWGBDMSA-N 2 1 317.477 2.703 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000248049248 426974050 /nfs/dbraw/zinc/97/40/50/426974050.db2.gz VVWAOTHNHAUGER-ULQDDVLXSA-N 2 1 305.466 2.736 20 0 DFADMP OCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000189935954 426983957 /nfs/dbraw/zinc/98/39/57/426983957.db2.gz LVSOEILTWAZYRM-IEBWSBKVSA-N 2 1 302.462 2.792 20 0 DFADMP OCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000189935976 426984334 /nfs/dbraw/zinc/98/43/34/426984334.db2.gz LVSOEILTWAZYRM-MJGOQNOKSA-N 2 1 302.462 2.792 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCC2 ZINC000181851699 426986087 /nfs/dbraw/zinc/98/60/87/426986087.db2.gz PAEYMZGCDTUFNJ-MSOLQXFVSA-N 2 1 324.509 2.813 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000248199647 426986515 /nfs/dbraw/zinc/98/65/15/426986515.db2.gz YFNVEPIXJAMATC-LNLFQRSKSA-N 2 1 301.478 2.975 20 0 DFADMP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000315140163 426935737 /nfs/dbraw/zinc/93/57/37/426935737.db2.gz WNPAZWAVKBZGHD-WMLDXEAASA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000315140163 426935743 /nfs/dbraw/zinc/93/57/43/426935743.db2.gz WNPAZWAVKBZGHD-WMLDXEAASA-N 2 1 304.434 2.668 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268172188 426937471 /nfs/dbraw/zinc/93/74/71/426937471.db2.gz VAWBLUTVVGGUJD-CQSZACIVSA-N 2 1 323.506 2.660 20 0 DFADMP CC[C@]1(C)CN(C/C=C/C[N@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000248884862 427057735 /nfs/dbraw/zinc/05/77/35/427057735.db2.gz DSCVMPRMTDODIW-HNGSOEQISA-N 2 1 310.482 2.544 20 0 DFADMP CC[C@]1(C)CN(C/C=C/CN2CCO[C@](C)(CC)C2)CCO1 ZINC000248884862 427057742 /nfs/dbraw/zinc/05/77/42/427057742.db2.gz DSCVMPRMTDODIW-HNGSOEQISA-N 2 1 310.482 2.544 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)CCc1ccccc1 ZINC000248574102 427015396 /nfs/dbraw/zinc/01/53/96/427015396.db2.gz MXAVQSKWJKYEJR-MOPGFXCFSA-N 2 1 304.478 2.786 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)CCc1ccccc1 ZINC000248574102 427015404 /nfs/dbraw/zinc/01/54/04/427015404.db2.gz MXAVQSKWJKYEJR-MOPGFXCFSA-N 2 1 304.478 2.786 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)CCc1ccccc1 ZINC000248574102 427015412 /nfs/dbraw/zinc/01/54/12/427015412.db2.gz MXAVQSKWJKYEJR-MOPGFXCFSA-N 2 1 304.478 2.786 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000276275272 427023999 /nfs/dbraw/zinc/02/39/99/427023999.db2.gz SQSTUAIBSOJEIT-FUHWJXTLSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000276275272 427024004 /nfs/dbraw/zinc/02/40/04/427024004.db2.gz SQSTUAIBSOJEIT-FUHWJXTLSA-N 2 1 305.466 2.617 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204923 427045087 /nfs/dbraw/zinc/04/50/87/427045087.db2.gz AUUARJKTSVQUMZ-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204923 427045092 /nfs/dbraw/zinc/04/50/92/427045092.db2.gz AUUARJKTSVQUMZ-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204923 427045096 /nfs/dbraw/zinc/04/50/96/427045096.db2.gz AUUARJKTSVQUMZ-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204945 427045313 /nfs/dbraw/zinc/04/53/13/427045313.db2.gz AUUARJKTSVQUMZ-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204945 427045319 /nfs/dbraw/zinc/04/53/19/427045319.db2.gz AUUARJKTSVQUMZ-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCc2ccc3c(c2)CCO3)C1 ZINC000190204945 427045324 /nfs/dbraw/zinc/04/53/24/427045324.db2.gz AUUARJKTSVQUMZ-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP Cc1cccc(NC[C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000268563079 427054378 /nfs/dbraw/zinc/05/43/78/427054378.db2.gz POHGNDKYBAEOSN-MSOLQXFVSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000268563079 427054384 /nfs/dbraw/zinc/05/43/84/427054384.db2.gz POHGNDKYBAEOSN-MSOLQXFVSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000268563079 427054389 /nfs/dbraw/zinc/05/43/89/427054389.db2.gz POHGNDKYBAEOSN-MSOLQXFVSA-N 2 1 316.493 2.998 20 0 DFADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)cn3)CC2)C[C@@H](C)O1 ZINC000276393815 427055170 /nfs/dbraw/zinc/05/51/70/427055170.db2.gz SGVQKJCDSXHZKV-HUUCEWRRSA-N 2 1 321.440 2.542 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCNc2ccccc21 ZINC000248994772 427073240 /nfs/dbraw/zinc/07/32/40/427073240.db2.gz OOTONAPVHLGERK-QFBILLFUSA-N 2 1 317.477 2.760 20 0 DFADMP CC[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)c1nccn1C ZINC000182486493 427083040 /nfs/dbraw/zinc/08/30/40/427083040.db2.gz QCWMSLMHSOSVAO-QGZVFWFLSA-N 2 1 313.449 2.520 20 0 DFADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[C@H](C)[NH3+] ZINC000249070584 427083461 /nfs/dbraw/zinc/08/34/61/427083461.db2.gz QHELQHLETSKYQJ-XHSDSOJGSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CCCO1 ZINC000338011452 427092301 /nfs/dbraw/zinc/09/23/01/427092301.db2.gz KHTTXCQZSONHAQ-BRWVUGGUSA-N 2 1 300.462 2.995 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]2CCCF)CCCO1 ZINC000338011452 427092307 /nfs/dbraw/zinc/09/23/07/427092307.db2.gz KHTTXCQZSONHAQ-BRWVUGGUSA-N 2 1 300.462 2.995 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]2CCCF)CCCO1 ZINC000338011455 427093190 /nfs/dbraw/zinc/09/31/90/427093190.db2.gz KHTTXCQZSONHAQ-IXDOHACOSA-N 2 1 300.462 2.995 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]2CCCF)CCCO1 ZINC000338011455 427093195 /nfs/dbraw/zinc/09/31/95/427093195.db2.gz KHTTXCQZSONHAQ-IXDOHACOSA-N 2 1 300.462 2.995 20 0 DFADMP CC[NH+](CC)CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000268694524 427093904 /nfs/dbraw/zinc/09/39/04/427093904.db2.gz BDQUXYLAHRJRHF-INIZCTEOSA-N 2 1 307.482 2.619 20 0 DFADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000249190471 427095419 /nfs/dbraw/zinc/09/54/19/427095419.db2.gz NSKWVSUFFFWJOJ-FUHWJXTLSA-N 2 1 312.498 2.530 20 0 DFADMP CC[NH+](CC)Cc1ccc(N[C@H]2CC[N@@H+](CCOC)C2)cc1 ZINC000276584418 427107074 /nfs/dbraw/zinc/10/70/74/427107074.db2.gz VMTKYMQCFJVVAK-SFHVURJKSA-N 2 1 305.466 2.661 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268778410 427112878 /nfs/dbraw/zinc/11/28/78/427112878.db2.gz WPOIOTGFWGGGAU-CYBMUJFWSA-N 2 1 313.445 2.849 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292162804 427114081 /nfs/dbraw/zinc/11/40/81/427114081.db2.gz OSHTUOAOLKDTQX-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292162804 427114087 /nfs/dbraw/zinc/11/40/87/427114087.db2.gz OSHTUOAOLKDTQX-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCCOc1ccc(OCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292162804 427114095 /nfs/dbraw/zinc/11/40/95/427114095.db2.gz OSHTUOAOLKDTQX-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCCOc1ccc(OCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292162804 427114104 /nfs/dbraw/zinc/11/41/04/427114104.db2.gz OSHTUOAOLKDTQX-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283997975 427115139 /nfs/dbraw/zinc/11/51/39/427115139.db2.gz NKOCEWUILFFUQQ-MRXNPFEDSA-N 2 1 323.400 2.571 20 0 DFADMP COC(=O)c1ccc(Cl)c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292169458 427117572 /nfs/dbraw/zinc/11/75/72/427117572.db2.gz PNKHTBUAEFVNCA-QGZVFWFLSA-N 2 1 322.836 2.654 20 0 DFADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(OC)c(OC)c1 ZINC000268794530 427118795 /nfs/dbraw/zinc/11/87/95/427118795.db2.gz FLVDWYJKFLFCRI-INIZCTEOSA-N 2 1 324.465 2.713 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(OC)c(OC)c1 ZINC000268794532 427119572 /nfs/dbraw/zinc/11/95/72/427119572.db2.gz FLVDWYJKFLFCRI-MRXNPFEDSA-N 2 1 324.465 2.713 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3CCOCC3)CC2)cc1 ZINC000268798867 427120812 /nfs/dbraw/zinc/12/08/12/427120812.db2.gz INVICNIGJYROKZ-UHFFFAOYSA-N 2 1 320.452 2.849 20 0 DFADMP C[C@@H](C(=O)NCC1([NH+](C)C)CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338058195 427121489 /nfs/dbraw/zinc/12/14/89/427121489.db2.gz KNCKQBKCTDNSCX-XHSDSOJGSA-N 2 1 309.498 2.628 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000268815192 427125250 /nfs/dbraw/zinc/12/52/50/427125250.db2.gz NMHWBZUYXPJTGZ-CYBMUJFWSA-N 2 1 303.406 2.868 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268815934 427125515 /nfs/dbraw/zinc/12/55/15/427125515.db2.gz GCGAWQWNEZKTTK-IBGZPJMESA-N 2 1 322.468 2.829 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000277189818 427139569 /nfs/dbraw/zinc/13/95/69/427139569.db2.gz IQAYOVZOXSSZFG-FUHWJXTLSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000277189818 427139577 /nfs/dbraw/zinc/13/95/77/427139577.db2.gz IQAYOVZOXSSZFG-FUHWJXTLSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000268872922 427140054 /nfs/dbraw/zinc/14/00/54/427140054.db2.gz HZMVOXWOBZRMMJ-TXPKVOOTSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000268872922 427140059 /nfs/dbraw/zinc/14/00/59/427140059.db2.gz HZMVOXWOBZRMMJ-TXPKVOOTSA-N 2 1 312.461 2.981 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCOc2ccccc21 ZINC000268966866 427141458 /nfs/dbraw/zinc/14/14/58/427141458.db2.gz YPNUNSOHHXCEJZ-AEFFLSMTSA-N 2 1 318.461 2.727 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000284243697 427163527 /nfs/dbraw/zinc/16/35/27/427163527.db2.gz FFFFBTRGESLWSP-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000284243703 427162554 /nfs/dbraw/zinc/16/25/54/427162554.db2.gz FFFFBTRGESLWSP-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000178323555 271193253 /nfs/dbraw/zinc/19/32/53/271193253.db2.gz VTUXDOXDZAKGCJ-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178323555 271193258 /nfs/dbraw/zinc/19/32/58/271193258.db2.gz VTUXDOXDZAKGCJ-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000195087929 271231083 /nfs/dbraw/zinc/23/10/83/271231083.db2.gz FUAZXBLGDQGBDD-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP OC1(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000284271489 427168791 /nfs/dbraw/zinc/16/87/91/427168791.db2.gz GXRLYCSNQKKYGR-UHFFFAOYSA-N 2 1 320.452 2.727 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC[N@H+]1C ZINC000230406490 271238038 /nfs/dbraw/zinc/23/80/38/271238038.db2.gz GFEZCKBHLUDBQD-UONOGXRCSA-N 2 1 311.470 2.506 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])C1 ZINC000237503532 271248588 /nfs/dbraw/zinc/24/85/88/271248588.db2.gz WTJBOOIZZJDVMK-HNNXBMFYSA-N 2 1 317.477 2.520 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000269861972 271287859 /nfs/dbraw/zinc/28/78/59/271287859.db2.gz JKCYFOSVISGCGB-QRQLOZEOSA-N 2 1 300.446 2.769 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000269861972 271287864 /nfs/dbraw/zinc/28/78/64/271287864.db2.gz JKCYFOSVISGCGB-QRQLOZEOSA-N 2 1 300.446 2.769 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000270473616 271293254 /nfs/dbraw/zinc/29/32/54/271293254.db2.gz NKHZKRLDYKXWRN-MRXNPFEDSA-N 2 1 316.445 2.622 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000284288132 427174628 /nfs/dbraw/zinc/17/46/28/427174628.db2.gz KCIULMSDAZVMAS-NEPJUHHUSA-N 2 1 309.841 2.879 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000284288132 427174631 /nfs/dbraw/zinc/17/46/31/427174631.db2.gz KCIULMSDAZVMAS-NEPJUHHUSA-N 2 1 309.841 2.879 20 0 DFADMP Cc1cc(C)c(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c(C)c1 ZINC000182959274 427175876 /nfs/dbraw/zinc/17/58/76/427175876.db2.gz HHQRRWOVQVOODQ-UHFFFAOYSA-N 2 1 303.494 2.681 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C(C)C)cc1 ZINC000338183705 427176915 /nfs/dbraw/zinc/17/69/15/427176915.db2.gz ARSQWXYUEMADMJ-UHFFFAOYSA-N 2 1 305.466 2.598 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000338183122 427178875 /nfs/dbraw/zinc/17/88/75/427178875.db2.gz ACSCFYJUQZPPCB-MAUKXSAKSA-N 2 1 317.477 2.741 20 0 DFADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000253336061 427199656 /nfs/dbraw/zinc/19/96/56/427199656.db2.gz HWUKPECPGOSWPY-VJANTYMQSA-N 2 1 300.446 2.981 20 0 DFADMP C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338285695 427234150 /nfs/dbraw/zinc/23/41/50/427234150.db2.gz KIQHRXUOTCYKOB-WDSOQIARSA-N 2 1 322.493 2.868 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338285695 427234155 /nfs/dbraw/zinc/23/41/55/427234155.db2.gz KIQHRXUOTCYKOB-WDSOQIARSA-N 2 1 322.493 2.868 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338285695 427234160 /nfs/dbraw/zinc/23/41/60/427234160.db2.gz KIQHRXUOTCYKOB-WDSOQIARSA-N 2 1 322.493 2.868 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000285472582 427242691 /nfs/dbraw/zinc/24/26/91/427242691.db2.gz AYOSKLZDISIWEL-NWDGAFQWSA-N 2 1 308.447 2.670 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000285472582 427242696 /nfs/dbraw/zinc/24/26/96/427242696.db2.gz AYOSKLZDISIWEL-NWDGAFQWSA-N 2 1 308.447 2.670 20 0 DFADMP Cc1cccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)c1F ZINC000296853608 427252815 /nfs/dbraw/zinc/25/28/15/427252815.db2.gz OTWOWAFHFYQRKS-INIZCTEOSA-N 2 1 306.425 2.678 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@H]1c1ccccc1 ZINC000285536035 427263208 /nfs/dbraw/zinc/26/32/08/427263208.db2.gz HQRPXCXZTQCVFD-QZTJIDSGSA-N 2 1 320.396 2.510 20 0 DFADMP O[C@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000296912915 427274656 /nfs/dbraw/zinc/27/46/56/427274656.db2.gz AFCJJPSRLKIDTE-PKOBYXMFSA-N 2 1 317.477 2.703 20 0 DFADMP O[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1cccnc1 ZINC000296912915 427274667 /nfs/dbraw/zinc/27/46/67/427274667.db2.gz AFCJJPSRLKIDTE-PKOBYXMFSA-N 2 1 317.477 2.703 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H](O)c1ccccc1)Cc1ccco1 ZINC000285680980 427307700 /nfs/dbraw/zinc/30/77/00/427307700.db2.gz NWZOKEWBVXWYOO-SFHVURJKSA-N 2 1 302.418 2.767 20 0 DFADMP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000297107356 427331845 /nfs/dbraw/zinc/33/18/45/427331845.db2.gz WXCHWOCRQIEGJJ-OAHLLOKOSA-N 2 1 315.421 2.591 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000297107356 427331850 /nfs/dbraw/zinc/33/18/50/427331850.db2.gz WXCHWOCRQIEGJJ-OAHLLOKOSA-N 2 1 315.421 2.591 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261985721 427346199 /nfs/dbraw/zinc/34/61/99/427346199.db2.gz SCOYXOXCWUMRRP-BHIYHBOVSA-N 2 1 314.473 2.773 20 0 DFADMP C[C@@]1(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000261947217 427346827 /nfs/dbraw/zinc/34/68/27/427346827.db2.gz FLZSUNPNGQYHTN-QZTJIDSGSA-N 2 1 306.425 2.806 20 0 DFADMP C[C@@]1(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000261947217 427346835 /nfs/dbraw/zinc/34/68/35/427346835.db2.gz FLZSUNPNGQYHTN-QZTJIDSGSA-N 2 1 306.425 2.806 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261934780 427347033 /nfs/dbraw/zinc/34/70/33/427347033.db2.gz MCRFBRDYSDLIGZ-OWYHZJEWSA-N 2 1 302.462 2.845 20 0 DFADMP Fc1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c(Cl)c1 ZINC000262007840 427347851 /nfs/dbraw/zinc/34/78/51/427347851.db2.gz UTZOIHFXXXEMDW-MRXNPFEDSA-N 2 1 312.816 2.852 20 0 DFADMP Fc1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)c(Cl)c1 ZINC000262007840 427347857 /nfs/dbraw/zinc/34/78/57/427347857.db2.gz UTZOIHFXXXEMDW-MRXNPFEDSA-N 2 1 312.816 2.852 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cn1 ZINC000191596981 427384434 /nfs/dbraw/zinc/38/44/34/427384434.db2.gz FQKIFLLBVGTCIH-UHFFFAOYSA-N 2 1 304.482 2.749 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000338571939 427389828 /nfs/dbraw/zinc/38/98/28/427389828.db2.gz NSAJQMMCEPEJOL-CABCVRRESA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000270428586 427354847 /nfs/dbraw/zinc/35/48/47/427354847.db2.gz HLWBJOHQNQFSCO-SFHVURJKSA-N 2 1 316.445 2.637 20 0 DFADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CCc1ccccc1 ZINC000191448635 427355003 /nfs/dbraw/zinc/35/50/03/427355003.db2.gz DLIVGVQXZKSECK-UHFFFAOYSA-N 2 1 317.521 2.967 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(c2nnc3ccccn32)CC1 ZINC000191492131 427361054 /nfs/dbraw/zinc/36/10/54/427361054.db2.gz UKMDWNBQIVFDHK-UHFFFAOYSA-N 2 1 315.465 2.641 20 0 DFADMP CCCn1ccnc1CCCN(C)Cc1ccoc1C(=O)OC ZINC000191492409 427362283 /nfs/dbraw/zinc/36/22/83/427362283.db2.gz OWQKPNLRPFBDNG-UHFFFAOYSA-N 2 1 319.405 2.737 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3CCC[N@@H+](CCO)CC3)c2c1 ZINC000297219612 427364133 /nfs/dbraw/zinc/36/41/33/427364133.db2.gz SRNKYPOUWJTMOL-UHFFFAOYSA-N 2 1 313.445 2.692 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262682776 427366769 /nfs/dbraw/zinc/36/67/69/427366769.db2.gz YLYLABWWYKGKJT-NXHRZFHOSA-N 2 1 317.477 2.625 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286178761 427447812 /nfs/dbraw/zinc/44/78/12/427447812.db2.gz XBAFLDCNOIAEPD-QRVBRYPASA-N 2 1 311.429 2.696 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000286178761 427447817 /nfs/dbraw/zinc/44/78/17/427447817.db2.gz XBAFLDCNOIAEPD-QRVBRYPASA-N 2 1 311.429 2.696 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000263293987 427455077 /nfs/dbraw/zinc/45/50/77/427455077.db2.gz XJEQGDPOKGUDBK-MGNMYUMUSA-N 2 1 321.509 2.534 20 0 DFADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[N@H+]1C1CC1 ZINC000278809453 427460721 /nfs/dbraw/zinc/46/07/21/427460721.db2.gz ZHABHYDIHNUZJV-GOSISDBHSA-N 2 1 313.445 2.848 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000293872099 427471427 /nfs/dbraw/zinc/47/14/27/427471427.db2.gz YGCPONLMJIQDKU-QFACEVIFSA-N 2 1 300.446 2.664 20 0 DFADMP COCCCOCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1C ZINC000192145873 427488795 /nfs/dbraw/zinc/48/87/95/427488795.db2.gz ULVVVEDQVJKUNW-UHFFFAOYSA-N 2 1 317.433 2.666 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297486 427483389 /nfs/dbraw/zinc/48/33/89/427483389.db2.gz WNHZCXDALLDVPZ-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP CC[C@H](C)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286086332 427420398 /nfs/dbraw/zinc/42/03/98/427420398.db2.gz SPDVDIPHJWXIFX-ICSRJNTNSA-N 2 1 315.505 2.925 20 0 DFADMP CC[C@@H](C)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286086339 427421160 /nfs/dbraw/zinc/42/11/60/427421160.db2.gz SPDVDIPHJWXIFX-UYAOXDASSA-N 2 1 315.505 2.925 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000293754008 427426427 /nfs/dbraw/zinc/42/64/27/427426427.db2.gz QPFYLSAVAXFFFF-MTQWCTHYSA-N 2 1 314.473 2.912 20 0 DFADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000271167080 427428772 /nfs/dbraw/zinc/42/87/72/427428772.db2.gz NVDCLCDWJCAFCW-INIZCTEOSA-N 2 1 320.477 2.528 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c(F)ccc(O)c3F)C2)CC1 ZINC000293779298 427432432 /nfs/dbraw/zinc/43/24/32/427432432.db2.gz BRSYYGRUKXRSRM-ZDUSSCGKSA-N 2 1 310.388 2.834 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCc1cnn(CC)c1 ZINC000286151237 427439834 /nfs/dbraw/zinc/43/98/34/427439834.db2.gz NRIJCEFIGMDSCM-UHFFFAOYSA-N 2 1 303.454 2.617 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCc1cnn(CC)c1 ZINC000286151237 427439838 /nfs/dbraw/zinc/43/98/38/427439838.db2.gz NRIJCEFIGMDSCM-UHFFFAOYSA-N 2 1 303.454 2.617 20 0 DFADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805720 427442960 /nfs/dbraw/zinc/44/29/60/427442960.db2.gz VHXJBYPSSQKAJB-FFGOWVMKSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805720 427442964 /nfs/dbraw/zinc/44/29/64/427442964.db2.gz VHXJBYPSSQKAJB-FFGOWVMKSA-N 3 1 315.505 2.969 20 0 DFADMP COc1ccc(F)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000293957482 427502078 /nfs/dbraw/zinc/50/20/78/427502078.db2.gz PPCOMVIGXYDSHP-HNNXBMFYSA-N 2 1 306.425 2.998 20 0 DFADMP Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@@H]2C)c2ccccc2[nH+]1 ZINC000286391631 427512981 /nfs/dbraw/zinc/51/29/81/427512981.db2.gz PANHMFCJEWDSKU-HOTGVXAUSA-N 2 1 311.429 2.843 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000278957486 427514825 /nfs/dbraw/zinc/51/48/25/427514825.db2.gz MCADODOVCNCYJU-STQMWFEESA-N 2 1 303.381 2.944 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000279032115 427537909 /nfs/dbraw/zinc/53/79/09/427537909.db2.gz WFCWEMBJDQICIS-KBPBESRZSA-N 2 1 315.417 2.814 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000192440010 427540651 /nfs/dbraw/zinc/54/06/51/427540651.db2.gz GWEUDVCNGZBADT-NVXWUHKLSA-N 2 1 302.462 2.874 20 0 DFADMP Fc1ccc(N2CC[C@@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000298259327 427549265 /nfs/dbraw/zinc/54/92/65/427549265.db2.gz FJXMEPZGBCCRBQ-HNNXBMFYSA-N 2 1 317.452 2.868 20 0 DFADMP CN(CCC[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1F ZINC000298261689 427550843 /nfs/dbraw/zinc/55/08/43/427550843.db2.gz FRFMLTHUGFRHSA-UHFFFAOYSA-N 2 1 305.441 2.868 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470972 427553722 /nfs/dbraw/zinc/55/37/22/427553722.db2.gz YYBFGNKKVBNROG-VQTJNVASSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000271511794 427565288 /nfs/dbraw/zinc/56/52/88/427565288.db2.gz NWUZLNWQMPXRBM-SNRMKQJTSA-N 2 1 317.477 2.809 20 0 DFADMP CCOC(C[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OCC ZINC000184976795 427570824 /nfs/dbraw/zinc/57/08/24/427570824.db2.gz RPJLCPZHOUMNJP-GOSISDBHSA-N 2 1 320.477 2.839 20 0 DFADMP CCOC(C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)OCC ZINC000184976795 427570837 /nfs/dbraw/zinc/57/08/37/427570837.db2.gz RPJLCPZHOUMNJP-GOSISDBHSA-N 2 1 320.477 2.839 20 0 DFADMP CCOC(C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)OCC ZINC000184976795 427570841 /nfs/dbraw/zinc/57/08/41/427570841.db2.gz RPJLCPZHOUMNJP-GOSISDBHSA-N 2 1 320.477 2.839 20 0 DFADMP CCOC(C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)OCC ZINC000184976795 427570845 /nfs/dbraw/zinc/57/08/45/427570845.db2.gz RPJLCPZHOUMNJP-GOSISDBHSA-N 2 1 320.477 2.839 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(C(F)(F)F)cc1 ZINC000298326891 427570958 /nfs/dbraw/zinc/57/09/58/427570958.db2.gz VIJLCLWRMXNQKE-DOMZBBRYSA-N 2 1 316.367 2.813 20 0 DFADMP C[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000279152013 427575711 /nfs/dbraw/zinc/57/57/11/427575711.db2.gz SUDBMAKMYOLBOF-DSLXNQLJSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000192702273 427588270 /nfs/dbraw/zinc/58/82/70/427588270.db2.gz RCYHNKUVWSJPOP-RKVPGOIHSA-N 2 1 315.461 2.632 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279188568 427589127 /nfs/dbraw/zinc/58/91/27/427589127.db2.gz STPPQOFVAFRGQC-UHFFFAOYSA-N 2 1 309.417 2.947 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc(F)cc2)C[C@H]1C ZINC000339009698 427623457 /nfs/dbraw/zinc/62/34/57/427623457.db2.gz GKXCITQSJHMAEP-FHLIZLRMSA-N 2 1 308.441 2.534 20 0 DFADMP C[NH+](C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000192703031 427592932 /nfs/dbraw/zinc/59/29/32/427592932.db2.gz QGKJLSOVYJDHPW-FBVQUNGASA-N 2 1 305.441 2.643 20 0 DFADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000192703031 427592939 /nfs/dbraw/zinc/59/29/39/427592939.db2.gz QGKJLSOVYJDHPW-FBVQUNGASA-N 2 1 305.441 2.643 20 0 DFADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000192703031 427592947 /nfs/dbraw/zinc/59/29/47/427592947.db2.gz QGKJLSOVYJDHPW-FBVQUNGASA-N 2 1 305.441 2.643 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000271912238 427594689 /nfs/dbraw/zinc/59/46/89/427594689.db2.gz YCAGWXHXFWYDGJ-YLJYHZDGSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000271912238 427594693 /nfs/dbraw/zinc/59/46/93/427594693.db2.gz YCAGWXHXFWYDGJ-YLJYHZDGSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000271912238 427594700 /nfs/dbraw/zinc/59/47/00/427594700.db2.gz YCAGWXHXFWYDGJ-YLJYHZDGSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@H+](C)CC2)CCN1Cc1ccccc1 ZINC000271912238 427594705 /nfs/dbraw/zinc/59/47/05/427594705.db2.gz YCAGWXHXFWYDGJ-YLJYHZDGSA-N 2 1 313.489 2.891 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCN1Cc1ccccc1 ZINC000271912238 427594709 /nfs/dbraw/zinc/59/47/09/427594709.db2.gz YCAGWXHXFWYDGJ-YLJYHZDGSA-N 2 1 313.489 2.891 20 0 DFADMP c1cn2c(cccc2C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000192925401 427635700 /nfs/dbraw/zinc/63/57/00/427635700.db2.gz DWRQHQQJLLGPKT-GOSISDBHSA-N 3 1 320.440 2.946 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N1CCC[NH+](C(C)C)CC1)c1ccccc1 ZINC000264031984 427636629 /nfs/dbraw/zinc/63/66/29/427636629.db2.gz MYPFVHOCPXKYKF-GOSISDBHSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[NH+](C(C)C)CC1)c1ccccc1 ZINC000264031984 427636640 /nfs/dbraw/zinc/63/66/40/427636640.db2.gz MYPFVHOCPXKYKF-GOSISDBHSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC000264031984 427636648 /nfs/dbraw/zinc/63/66/48/427636648.db2.gz MYPFVHOCPXKYKF-GOSISDBHSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000264031984 427636654 /nfs/dbraw/zinc/63/66/54/427636654.db2.gz MYPFVHOCPXKYKF-GOSISDBHSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298547065 427644979 /nfs/dbraw/zinc/64/49/79/427644979.db2.gz UFHQDPKNJIKJAQ-UHFFFAOYSA-N 2 1 323.912 2.890 20 0 DFADMP COc1cccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193003695 427649785 /nfs/dbraw/zinc/64/97/85/427649785.db2.gz FGFREVSQKPFMFX-MQVJKMGUSA-N 2 1 304.434 2.679 20 0 DFADMP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339065914 427657216 /nfs/dbraw/zinc/65/72/16/427657216.db2.gz DSORNKDAJMCRQE-MJGOQNOKSA-N 2 1 310.445 2.631 20 0 DFADMP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339065913 427658788 /nfs/dbraw/zinc/65/87/88/427658788.db2.gz DSORNKDAJMCRQE-IEBWSBKVSA-N 2 1 310.445 2.631 20 0 DFADMP CC[C@@H](C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1)[NH+]1CCCC1 ZINC000287658162 427663949 /nfs/dbraw/zinc/66/39/49/427663949.db2.gz LPBTWUHJMVOWPA-WBVHZDCISA-N 2 1 313.449 2.792 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NCc1cn(-c2ccncc2)nc1C ZINC000342427797 272011332 /nfs/dbraw/zinc/01/13/32/272011332.db2.gz MXOSFNLMYIUGBK-OAHLLOKOSA-N 2 1 315.465 2.786 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000342628326 272033286 /nfs/dbraw/zinc/03/32/86/272033286.db2.gz FXXIRLKNPVVKQD-WMZOPIPTSA-N 2 1 324.509 2.645 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000342628321 272033341 /nfs/dbraw/zinc/03/33/41/272033341.db2.gz FXXIRLKNPVVKQD-AEFFLSMTSA-N 2 1 324.509 2.645 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000342671094 272039765 /nfs/dbraw/zinc/03/97/65/272039765.db2.gz SSMNEPZWPRYORV-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000342671094 272039767 /nfs/dbraw/zinc/03/97/67/272039767.db2.gz SSMNEPZWPRYORV-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000342671094 272039770 /nfs/dbraw/zinc/03/97/70/272039770.db2.gz SSMNEPZWPRYORV-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCc1cccc(F)c1F ZINC000342748788 272050052 /nfs/dbraw/zinc/05/00/52/272050052.db2.gz IFKDYVBMXKPWRB-PVAVHDDUSA-N 2 1 324.415 2.691 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCc1cccc(F)c1F ZINC000342748788 272050055 /nfs/dbraw/zinc/05/00/55/272050055.db2.gz IFKDYVBMXKPWRB-PVAVHDDUSA-N 2 1 324.415 2.691 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)cc(Cl)c1 ZINC000279435561 427670388 /nfs/dbraw/zinc/67/03/88/427670388.db2.gz HAFHBCOKSMBOSX-BZUAXINKSA-N 2 1 312.816 2.729 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc(Cl)c1 ZINC000279435561 427670395 /nfs/dbraw/zinc/67/03/95/427670395.db2.gz HAFHBCOKSMBOSX-BZUAXINKSA-N 2 1 312.816 2.729 20 0 DFADMP Cc1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000343255242 272105933 /nfs/dbraw/zinc/10/59/33/272105933.db2.gz XTBWKMIQOBMTRW-GUDVDZBRSA-N 2 1 318.461 2.511 20 0 DFADMP C[C@@H]([NH2+]CC1=CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218232 427677240 /nfs/dbraw/zinc/67/72/40/427677240.db2.gz RMJYHPVYMQDUOI-APWZRJJASA-N 2 1 300.446 2.833 20 0 DFADMP CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000295053172 427673890 /nfs/dbraw/zinc/67/38/90/427673890.db2.gz PTLVHFBHZQXCLX-OQIJWPOYSA-N 2 1 302.462 2.912 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000343570494 272173511 /nfs/dbraw/zinc/17/35/11/272173511.db2.gz NQEMRJVHGBYACM-CYBMUJFWSA-N 2 1 302.447 2.637 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000343570494 272173513 /nfs/dbraw/zinc/17/35/13/272173513.db2.gz NQEMRJVHGBYACM-CYBMUJFWSA-N 2 1 302.447 2.637 20 0 DFADMP COCCOc1cccc(C[N@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343596804 272180155 /nfs/dbraw/zinc/18/01/55/272180155.db2.gz BSTPSEJSGLBLEY-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP COCCOc1cccc(C[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000343596804 272180157 /nfs/dbraw/zinc/18/01/57/272180157.db2.gz BSTPSEJSGLBLEY-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343632386 272189297 /nfs/dbraw/zinc/18/92/97/272189297.db2.gz RYPORHSVIBKIQH-KGLIPLIRSA-N 2 1 314.458 2.922 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343632386 272189299 /nfs/dbraw/zinc/18/92/99/272189299.db2.gz RYPORHSVIBKIQH-KGLIPLIRSA-N 2 1 314.458 2.922 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCc1ccc3c(c1)OCCO3)CC2 ZINC000343721746 272208730 /nfs/dbraw/zinc/20/87/30/272208730.db2.gz WPPUPXCMYUGBJV-UHFFFAOYSA-N 2 1 316.445 2.561 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCc1ccc3c(c1)OCCO3)CC2 ZINC000343721746 272208732 /nfs/dbraw/zinc/20/87/32/272208732.db2.gz WPPUPXCMYUGBJV-UHFFFAOYSA-N 2 1 316.445 2.561 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000343749878 272210719 /nfs/dbraw/zinc/21/07/19/272210719.db2.gz CLHIKGISAWNLAO-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000343749878 272210720 /nfs/dbraw/zinc/21/07/20/272210720.db2.gz CLHIKGISAWNLAO-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000343749878 272210723 /nfs/dbraw/zinc/21/07/23/272210723.db2.gz CLHIKGISAWNLAO-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC000343777232 272216682 /nfs/dbraw/zinc/21/66/82/272216682.db2.gz XSSFHETXDQEUAV-UHFFFAOYSA-N 2 1 300.446 2.724 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCc1ccc3c(c1)CCO3)CC2 ZINC000343777232 272216685 /nfs/dbraw/zinc/21/66/85/272216685.db2.gz XSSFHETXDQEUAV-UHFFFAOYSA-N 2 1 300.446 2.724 20 0 DFADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000343923252 272237838 /nfs/dbraw/zinc/23/78/38/272237838.db2.gz GMPVHVVJZGVAIT-NUJGCVRESA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1C[C@@H](C)[NH+](C2CC2)C1 ZINC000343923252 272237841 /nfs/dbraw/zinc/23/78/41/272237841.db2.gz GMPVHVVJZGVAIT-NUJGCVRESA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000343923252 272237843 /nfs/dbraw/zinc/23/78/43/272237843.db2.gz GMPVHVVJZGVAIT-NUJGCVRESA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000343923252 272237846 /nfs/dbraw/zinc/23/78/46/272237846.db2.gz GMPVHVVJZGVAIT-NUJGCVRESA-N 2 1 301.478 2.722 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000344061899 272254005 /nfs/dbraw/zinc/25/40/05/272254005.db2.gz KLGWKBBFLAFNMM-GFCCVEGCSA-N 2 1 305.809 2.897 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344112581 272265659 /nfs/dbraw/zinc/26/56/59/272265659.db2.gz VBFOWBYRLBFBBO-HKUYNNGSSA-N 2 1 320.452 2.886 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)C1 ZINC000344292180 272306370 /nfs/dbraw/zinc/30/63/70/272306370.db2.gz FSXUBTFSCQECNP-VQIMIIECSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3=CC[N@H+](C)CC3)CC2)C1 ZINC000344292180 272306371 /nfs/dbraw/zinc/30/63/71/272306371.db2.gz FSXUBTFSCQECNP-VQIMIIECSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCC3=CC[N@@H+](C)CC3)CC2)C1 ZINC000344292180 272306374 /nfs/dbraw/zinc/30/63/74/272306374.db2.gz FSXUBTFSCQECNP-VQIMIIECSA-N 2 1 305.510 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000298708976 427683982 /nfs/dbraw/zinc/68/39/82/427683982.db2.gz SSBAFYCUWCBVMY-OAHLLOKOSA-N 2 1 314.433 2.897 20 0 DFADMP CC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000344518774 272332727 /nfs/dbraw/zinc/33/27/27/272332727.db2.gz BXWXQXKBGMESPW-SJORKVTESA-N 2 1 311.514 2.735 20 0 DFADMP CCOC(=O)CCCCC[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000344583910 272341880 /nfs/dbraw/zinc/34/18/80/272341880.db2.gz HPKLUMJRIZZYHV-UHFFFAOYSA-N 2 1 321.465 2.798 20 0 DFADMP CO[C@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000295080250 427684686 /nfs/dbraw/zinc/68/46/86/427684686.db2.gz TVJUXUXQNPAFJH-KFKAGJAMSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344676993 272355035 /nfs/dbraw/zinc/35/50/35/272355035.db2.gz JUURBIOCVPEELI-JFRXWTBNSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000344676993 272355039 /nfs/dbraw/zinc/35/50/39/272355039.db2.gz JUURBIOCVPEELI-JFRXWTBNSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000344676993 272355042 /nfs/dbraw/zinc/35/50/42/272355042.db2.gz JUURBIOCVPEELI-JFRXWTBNSA-N 2 1 301.478 2.894 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C1 ZINC000339183344 427721455 /nfs/dbraw/zinc/72/14/55/427721455.db2.gz DRAICDSCCNGYQT-XIRDDKMYSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000151 272392411 /nfs/dbraw/zinc/39/24/11/272392411.db2.gz IVHOMMKBHUBHSP-ILOCAZANSA-N 2 1 321.509 2.723 20 0 DFADMP COc1ncccc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354354 427686544 /nfs/dbraw/zinc/68/65/44/427686544.db2.gz STTIYMFGPYRHNG-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000287759579 427687238 /nfs/dbraw/zinc/68/72/38/427687238.db2.gz ZRUQDNBOLIUETI-QZTJIDSGSA-N 2 1 318.461 2.818 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779714 427691694 /nfs/dbraw/zinc/69/16/94/427691694.db2.gz NIQXZEUZFQEABD-DLBZAZTESA-N 2 1 310.869 2.660 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162415 427711305 /nfs/dbraw/zinc/71/13/05/427711305.db2.gz BSBIKBXMLIKPKZ-HIFRSBDPSA-N 2 1 321.431 2.723 20 0 DFADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CCOC4CCC4)C[C@@H]3C2)cc1 ZINC000287909787 427715234 /nfs/dbraw/zinc/71/52/34/427715234.db2.gz VKEXSFBPEUWYCT-HDICACEKSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]3C2)cc1 ZINC000287909787 427715239 /nfs/dbraw/zinc/71/52/39/427715239.db2.gz VKEXSFBPEUWYCT-HDICACEKSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CCOC4CCC4)C[C@@H]3C2)cc1 ZINC000287909787 427715245 /nfs/dbraw/zinc/71/52/45/427715245.db2.gz VKEXSFBPEUWYCT-HDICACEKSA-N 2 1 300.446 2.619 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1conc1Cc1ccccc1 ZINC000339187187 427724057 /nfs/dbraw/zinc/72/40/57/427724057.db2.gz WWQQSXKSSUGEHV-UHFFFAOYSA-N 2 1 310.401 2.950 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000336856187 427761195 /nfs/dbraw/zinc/76/11/95/427761195.db2.gz KWCLSKHWBGOCHD-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000339407908 427768862 /nfs/dbraw/zinc/76/88/62/427768862.db2.gz QDMXKDWHUKXVTQ-FGTMMUONSA-N 2 1 300.446 2.613 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000336871470 427769077 /nfs/dbraw/zinc/76/90/77/427769077.db2.gz MGYIIKYJPYOHGF-IBGZPJMESA-N 2 1 313.445 2.915 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@@H]1Cc1ccccc1 ZINC000336871470 427769078 /nfs/dbraw/zinc/76/90/78/427769078.db2.gz MGYIIKYJPYOHGF-IBGZPJMESA-N 2 1 313.445 2.915 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000336896260 427772132 /nfs/dbraw/zinc/77/21/32/427772132.db2.gz NULOFTDVTDMVAH-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336896260 427772134 /nfs/dbraw/zinc/77/21/34/427772134.db2.gz NULOFTDVTDMVAH-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336896260 427772137 /nfs/dbraw/zinc/77/21/37/427772137.db2.gz NULOFTDVTDMVAH-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336896260 427772139 /nfs/dbraw/zinc/77/21/39/427772139.db2.gz NULOFTDVTDMVAH-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336896260 427772142 /nfs/dbraw/zinc/77/21/42/427772142.db2.gz NULOFTDVTDMVAH-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000339429788 427772783 /nfs/dbraw/zinc/77/27/83/427772783.db2.gz RFUXEAXDJGIKIX-ZDUSSCGKSA-N 2 1 313.380 2.867 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000339428585 427772893 /nfs/dbraw/zinc/77/28/93/427772893.db2.gz PMYPMMUITBJSHF-GOSISDBHSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000339428585 427772896 /nfs/dbraw/zinc/77/28/96/427772896.db2.gz PMYPMMUITBJSHF-GOSISDBHSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000339428585 427772898 /nfs/dbraw/zinc/77/28/98/427772898.db2.gz PMYPMMUITBJSHF-GOSISDBHSA-N 2 1 310.482 2.916 20 0 DFADMP COc1ccccc1[C@H](CNc1cc(C)[nH+]c(C)n1)[NH+](C)C ZINC000301077354 427773466 /nfs/dbraw/zinc/77/34/66/427773466.db2.gz LSGQGAGPTCOFSA-HNNXBMFYSA-N 2 1 300.406 2.817 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000339278725 427749195 /nfs/dbraw/zinc/74/91/95/427749195.db2.gz BANAIIYTKBMDHS-LTIDMASMSA-N 2 1 310.482 2.961 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000339278725 427749198 /nfs/dbraw/zinc/74/91/98/427749198.db2.gz BANAIIYTKBMDHS-LTIDMASMSA-N 2 1 310.482 2.961 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000336723945 427750635 /nfs/dbraw/zinc/75/06/35/427750635.db2.gz WVMZMTGZHNFQNN-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000336723945 427750638 /nfs/dbraw/zinc/75/06/38/427750638.db2.gz WVMZMTGZHNFQNN-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000336723945 427750642 /nfs/dbraw/zinc/75/06/42/427750642.db2.gz WVMZMTGZHNFQNN-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000336723943 427750785 /nfs/dbraw/zinc/75/07/85/427750785.db2.gz WVMZMTGZHNFQNN-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000336723943 427750789 /nfs/dbraw/zinc/75/07/89/427750789.db2.gz WVMZMTGZHNFQNN-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000336723943 427750792 /nfs/dbraw/zinc/75/07/92/427750792.db2.gz WVMZMTGZHNFQNN-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP Cc1cnn(CC[N@H+](C)C[C@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000336719253 427751001 /nfs/dbraw/zinc/75/10/01/427751001.db2.gz RRRWZODVDUGUGU-LJQANCHMSA-N 2 1 312.461 2.645 20 0 DFADMP Cc1cnn(CC[NH+](C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000336719253 427751005 /nfs/dbraw/zinc/75/10/05/427751005.db2.gz RRRWZODVDUGUGU-LJQANCHMSA-N 2 1 312.461 2.645 20 0 DFADMP Cc1cnn(CC[NH+](C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000336719253 427751008 /nfs/dbraw/zinc/75/10/08/427751008.db2.gz RRRWZODVDUGUGU-LJQANCHMSA-N 2 1 312.461 2.645 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)nc(C(C)C)n1 ZINC000301362668 427791730 /nfs/dbraw/zinc/79/17/30/427791730.db2.gz PKQPVMHKQUMAMX-XHSDSOJGSA-N 2 1 300.450 2.829 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H](CC2CC2)C1)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339675103 427810548 /nfs/dbraw/zinc/81/05/48/427810548.db2.gz CCMUGFYTVXNGNO-BWTSREIZSA-N 2 1 306.494 2.591 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000339694438 427813052 /nfs/dbraw/zinc/81/30/52/427813052.db2.gz KGBBLDNREVAESQ-BRWVUGGUSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]2c2ccccc2)CC1 ZINC000337250111 427823699 /nfs/dbraw/zinc/82/36/99/427823699.db2.gz MHCRTTZAOPMLKE-LJQANCHMSA-N 2 1 301.478 2.850 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)COC(C)C)[C@@H](C)C1 ZINC000337328688 427845653 /nfs/dbraw/zinc/84/56/53/427845653.db2.gz FBKNYFUWGJSNFQ-ULQDDVLXSA-N 2 1 300.487 2.527 20 0 DFADMP CC[C@@H]1C[C@H](C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000355681684 427845689 /nfs/dbraw/zinc/84/56/89/427845689.db2.gz JQAGWXCHGHOLNC-QZTJIDSGSA-N 2 1 324.509 2.816 20 0 DFADMP CC(C)[NH+](CCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000345664816 427850047 /nfs/dbraw/zinc/85/00/47/427850047.db2.gz OHRAAVSHROXINN-KRWDZBQOSA-N 2 1 319.493 2.742 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C(C)(C)n1cncn1 ZINC000340470295 427855701 /nfs/dbraw/zinc/85/57/01/427855701.db2.gz NVXWBZQWUAALKP-HNNXBMFYSA-N 2 1 307.486 2.646 20 0 DFADMP CCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359469206 427864852 /nfs/dbraw/zinc/86/48/52/427864852.db2.gz AKDHXNOWQSJMEI-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCCC(C)C ZINC000359477090 427867556 /nfs/dbraw/zinc/86/75/56/427867556.db2.gz VHNKLRNUVPKLFL-CALCHBBNSA-N 2 1 318.461 2.771 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OCCC(C)C ZINC000359477090 427867560 /nfs/dbraw/zinc/86/75/60/427867560.db2.gz VHNKLRNUVPKLFL-CALCHBBNSA-N 2 1 318.461 2.771 20 0 DFADMP Cn1ccnc1[C@@H]1CC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000339908114 427870054 /nfs/dbraw/zinc/87/00/54/427870054.db2.gz KCDYHBYFUXSWJU-QGZVFWFLSA-N 2 1 321.428 2.654 20 0 DFADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000339908114 427870059 /nfs/dbraw/zinc/87/00/59/427870059.db2.gz KCDYHBYFUXSWJU-QGZVFWFLSA-N 2 1 321.428 2.654 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000302868855 427883348 /nfs/dbraw/zinc/88/33/48/427883348.db2.gz QICDRMIQKABHAS-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000302868855 427883351 /nfs/dbraw/zinc/88/33/51/427883351.db2.gz QICDRMIQKABHAS-SLFFLAALSA-N 2 1 313.489 2.867 20 0 DFADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000304291394 427926009 /nfs/dbraw/zinc/92/60/09/427926009.db2.gz CNIDQMZZDSDPIK-IEBWSBKVSA-N 2 1 302.462 2.836 20 0 DFADMP CCCC[C@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000337485323 427926058 /nfs/dbraw/zinc/92/60/58/427926058.db2.gz YUCLZOCBAVEVEM-DLBZAZTESA-N 2 1 311.514 2.687 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000359532138 427895455 /nfs/dbraw/zinc/89/54/55/427895455.db2.gz MPPJQROMLQFVMN-CQSZACIVSA-N 2 1 305.422 2.569 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[C@H]1CCCC[N@H+]1C ZINC000359532138 427895460 /nfs/dbraw/zinc/89/54/60/427895460.db2.gz MPPJQROMLQFVMN-CQSZACIVSA-N 2 1 305.422 2.569 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427254 427902291 /nfs/dbraw/zinc/90/22/91/427902291.db2.gz BRGSXZXXVFLDGX-IRXDYDNUSA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427254 427902299 /nfs/dbraw/zinc/90/22/99/427902299.db2.gz BRGSXZXXVFLDGX-IRXDYDNUSA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337427254 427902301 /nfs/dbraw/zinc/90/23/01/427902301.db2.gz BRGSXZXXVFLDGX-IRXDYDNUSA-N 2 1 316.493 2.883 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000345785069 427903714 /nfs/dbraw/zinc/90/37/14/427903714.db2.gz XJGGWQGYHUIQHX-HOTGVXAUSA-N 2 1 303.450 2.596 20 0 DFADMP CCOC(=O)[C@H](CC)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337438951 427906166 /nfs/dbraw/zinc/90/61/66/427906166.db2.gz LDDRVNWHRPLACB-ZBFHGGJFSA-N 2 1 319.449 2.741 20 0 DFADMP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCCC[C@@H]1C ZINC000355823690 427908562 /nfs/dbraw/zinc/90/85/62/427908562.db2.gz YXUZNICJNUBNEP-JKSUJKDBSA-N 2 1 317.477 2.741 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000340477206 427859212 /nfs/dbraw/zinc/85/92/12/427859212.db2.gz XILWCBFYWJFGMS-HOTGVXAUSA-N 2 1 320.477 2.810 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000340477206 427859215 /nfs/dbraw/zinc/85/92/15/427859215.db2.gz XILWCBFYWJFGMS-HOTGVXAUSA-N 2 1 320.477 2.810 20 0 DFADMP COc1ccccc1C[N@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000346833610 272692117 /nfs/dbraw/zinc/69/21/17/272692117.db2.gz SAHCPENPODEWDC-SJLPKXTDSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)C[C@@H]1CCC[NH2+]C1 ZINC000346833610 272692120 /nfs/dbraw/zinc/69/21/20/272692120.db2.gz SAHCPENPODEWDC-SJLPKXTDSA-N 2 1 318.461 2.676 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340228536 427960826 /nfs/dbraw/zinc/96/08/26/427960826.db2.gz JZEXVYXVZUZQJU-OALUTQOASA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340228536 427960831 /nfs/dbraw/zinc/96/08/31/427960831.db2.gz JZEXVYXVZUZQJU-OALUTQOASA-N 3 1 301.478 2.753 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000355954384 427963023 /nfs/dbraw/zinc/96/30/23/427963023.db2.gz MDSLRWWKFCGEJB-HNNXBMFYSA-N 2 1 311.514 2.876 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCSCCCO)C[C@@H]1c1ccccc1 ZINC000340241216 427966087 /nfs/dbraw/zinc/96/60/87/427966087.db2.gz CFAMIBJAERHUGN-IAGOWNOFSA-N 2 1 308.491 2.527 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCSCCCO)C[C@@H]1c1ccccc1 ZINC000340241216 427966091 /nfs/dbraw/zinc/96/60/91/427966091.db2.gz CFAMIBJAERHUGN-IAGOWNOFSA-N 2 1 308.491 2.527 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000340259693 427967010 /nfs/dbraw/zinc/96/70/10/427967010.db2.gz KRWUSZIYMCVQSN-GBESFXJTSA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000340259693 427967017 /nfs/dbraw/zinc/96/70/17/427967017.db2.gz KRWUSZIYMCVQSN-GBESFXJTSA-N 2 1 318.461 2.607 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256418 427967800 /nfs/dbraw/zinc/96/78/00/427967800.db2.gz HQBXSORAQGAZAD-XKQJLSEDSA-N 2 1 304.434 2.997 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256418 427967805 /nfs/dbraw/zinc/96/78/05/427967805.db2.gz HQBXSORAQGAZAD-XKQJLSEDSA-N 2 1 304.434 2.997 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000340262695 427969484 /nfs/dbraw/zinc/96/94/84/427969484.db2.gz ZVHDSLNOBZWRGE-OQIJWPOYSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000340262695 427969488 /nfs/dbraw/zinc/96/94/88/427969488.db2.gz ZVHDSLNOBZWRGE-OQIJWPOYSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000340262695 427969492 /nfs/dbraw/zinc/96/94/92/427969492.db2.gz ZVHDSLNOBZWRGE-OQIJWPOYSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340261523 427970948 /nfs/dbraw/zinc/97/09/48/427970948.db2.gz VXQYTBVNVZLHSX-OWYHZJEWSA-N 2 1 318.461 2.606 20 0 DFADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340261523 427970954 /nfs/dbraw/zinc/97/09/54/427970954.db2.gz VXQYTBVNVZLHSX-OWYHZJEWSA-N 2 1 318.461 2.606 20 0 DFADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000359697169 427976593 /nfs/dbraw/zinc/97/65/93/427976593.db2.gz QTVQYTSTRBVFEJ-KRWDZBQOSA-N 2 1 304.482 2.748 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000359697169 427976598 /nfs/dbraw/zinc/97/65/98/427976598.db2.gz QTVQYTSTRBVFEJ-KRWDZBQOSA-N 2 1 304.482 2.748 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000340288314 427978242 /nfs/dbraw/zinc/97/82/42/427978242.db2.gz IGYKDLLBOOPJOV-PMACEKPBSA-N 2 1 315.505 2.925 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000340288314 427978244 /nfs/dbraw/zinc/97/82/44/427978244.db2.gz IGYKDLLBOOPJOV-PMACEKPBSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@H](CCNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000356031090 427990466 /nfs/dbraw/zinc/99/04/66/427990466.db2.gz CXPJGTOPBXSUQI-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337485326 427927128 /nfs/dbraw/zinc/92/71/28/427927128.db2.gz YUCLZOCBAVEVEM-SJORKVTESA-N 2 1 311.514 2.687 20 0 DFADMP CCc1ccc([C@@H](CO)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000359624102 427940315 /nfs/dbraw/zinc/94/03/15/427940315.db2.gz HLZDBPSTJCWMEP-GOSISDBHSA-N 2 1 301.434 2.857 20 0 DFADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181204 427947217 /nfs/dbraw/zinc/94/72/17/427947217.db2.gz MWKLCNHYTLPIFA-RBUKOAKNSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1F ZINC000340207859 427953788 /nfs/dbraw/zinc/95/37/88/427953788.db2.gz YODADNWTHZCKSE-QLFBSQMISA-N 2 1 309.429 2.761 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000346107122 428021402 /nfs/dbraw/zinc/02/14/02/428021402.db2.gz UREQOABRFTWHNA-JKSUJKDBSA-N 2 1 320.506 2.637 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000346107122 428021408 /nfs/dbraw/zinc/02/14/08/428021408.db2.gz UREQOABRFTWHNA-JKSUJKDBSA-N 2 1 320.506 2.637 20 0 DFADMP C[N@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369636696 428023572 /nfs/dbraw/zinc/02/35/72/428023572.db2.gz HGUKKADXUBGRIT-HNNXBMFYSA-N 2 1 317.408 2.986 20 0 DFADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000369636696 428023578 /nfs/dbraw/zinc/02/35/78/428023578.db2.gz HGUKKADXUBGRIT-HNNXBMFYSA-N 2 1 317.408 2.986 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(SC)CCC2)C1 ZINC000356137852 428036260 /nfs/dbraw/zinc/03/62/60/428036260.db2.gz PWVBYQLWZGWEBC-HNNXBMFYSA-N 2 1 300.512 2.705 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1ccnn1C ZINC000369705961 428039778 /nfs/dbraw/zinc/03/97/78/428039778.db2.gz GLKSJIHJOIWCCB-KRWDZBQOSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1ccnn1C ZINC000369705961 428039780 /nfs/dbraw/zinc/03/97/80/428039780.db2.gz GLKSJIHJOIWCCB-KRWDZBQOSA-N 2 1 301.438 2.932 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCS1 ZINC000346158820 428042741 /nfs/dbraw/zinc/04/27/41/428042741.db2.gz ANMBDAJGIYFWLX-INIZCTEOSA-N 2 1 302.447 2.903 20 0 DFADMP CSC[C@H]1CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346164313 428044881 /nfs/dbraw/zinc/04/48/81/428044881.db2.gz IIXVNIPKCAIDEQ-MRXNPFEDSA-N 2 1 302.447 2.903 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCCO1 ZINC000341372763 428050145 /nfs/dbraw/zinc/05/01/45/428050145.db2.gz OGOSNCCSKRNWAN-YDZRNGNQSA-N 2 1 324.509 2.672 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)CCCO1 ZINC000341372763 428050148 /nfs/dbraw/zinc/05/01/48/428050148.db2.gz OGOSNCCSKRNWAN-YDZRNGNQSA-N 2 1 324.509 2.672 20 0 DFADMP CC(C)CN(C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000413460365 428053659 /nfs/dbraw/zinc/05/36/59/428053659.db2.gz UBQBNQCEIQBTHK-IXDOHACOSA-N 2 1 323.525 2.827 20 0 DFADMP C(C[NH+]1CCCO[C@H]2CCC[C@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000359874961 428057385 /nfs/dbraw/zinc/05/73/85/428057385.db2.gz ROQKJHVQXMACGJ-SEXKYXSUSA-N 2 1 322.493 2.663 20 0 DFADMP C(C[NH+]1CCCO[C@@H]2CCC[C@@H]21)C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000359874961 428057391 /nfs/dbraw/zinc/05/73/91/428057391.db2.gz ROQKJHVQXMACGJ-SEXKYXSUSA-N 2 1 322.493 2.663 20 0 DFADMP C(C[NH+]1CCCO[C@@H]2CCC[C@@H]21)C[N@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000359874961 428057393 /nfs/dbraw/zinc/05/73/93/428057393.db2.gz ROQKJHVQXMACGJ-SEXKYXSUSA-N 2 1 322.493 2.663 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCCC2)C[C@H]1c1ccccc1 ZINC000340361160 427997563 /nfs/dbraw/zinc/99/75/63/427997563.db2.gz NXFZXXAIOJNZBA-ROUUACIJSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCC2)C[C@H]1c1ccccc1 ZINC000340361160 427997565 /nfs/dbraw/zinc/99/75/65/427997565.db2.gz NXFZXXAIOJNZBA-ROUUACIJSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1cccs1 ZINC000369559492 427997842 /nfs/dbraw/zinc/99/78/42/427997842.db2.gz AXWITTWLIIDKPC-RISCZKNCSA-N 2 1 313.430 3.124 20 0 DFADMP C[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1cccs1 ZINC000369559492 427997847 /nfs/dbraw/zinc/99/78/47/427997847.db2.gz AXWITTWLIIDKPC-RISCZKNCSA-N 2 1 313.430 3.124 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000341186273 428004230 /nfs/dbraw/zinc/00/42/30/428004230.db2.gz MVEVKRKNNPDCMY-UHFFFAOYSA-N 2 1 303.450 2.516 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1ccc(CO)cc1)CC2)C1CC1 ZINC000376824648 428006359 /nfs/dbraw/zinc/00/63/59/428006359.db2.gz XKCGWVMOZXIVNV-GOSISDBHSA-N 2 1 314.473 2.875 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000359775451 428013782 /nfs/dbraw/zinc/01/37/82/428013782.db2.gz QNARSAHGBKLPOA-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000359775451 428013788 /nfs/dbraw/zinc/01/37/88/428013788.db2.gz QNARSAHGBKLPOA-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP Cc1nn(-c2ccncc2)cc1CN1CCO[C@@H]2CCCC[C@@H]21 ZINC000346210567 428069869 /nfs/dbraw/zinc/06/98/69/428069869.db2.gz PFTRWJIPTCYTPH-ZWKOTPCHSA-N 2 1 312.417 2.719 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212302 428073599 /nfs/dbraw/zinc/07/35/99/428073599.db2.gz QCZGTFSNRFCPKG-GJZGRUSLSA-N 2 1 304.438 2.611 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212302 428073608 /nfs/dbraw/zinc/07/36/08/428073608.db2.gz QCZGTFSNRFCPKG-GJZGRUSLSA-N 2 1 304.438 2.611 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212302 428073613 /nfs/dbraw/zinc/07/36/13/428073613.db2.gz QCZGTFSNRFCPKG-GJZGRUSLSA-N 2 1 304.438 2.611 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212302 428073616 /nfs/dbraw/zinc/07/36/16/428073616.db2.gz QCZGTFSNRFCPKG-GJZGRUSLSA-N 2 1 304.438 2.611 20 0 DFADMP C[C@H]1CCCC[C@H]1C[N@H+]1CCCN(Cc2nccn2C)CC1 ZINC000369917073 428087898 /nfs/dbraw/zinc/08/78/98/428087898.db2.gz ASALHDJNYGNNAF-IRXDYDNUSA-N 2 1 304.482 2.754 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351582122 428100911 /nfs/dbraw/zinc/10/09/11/428100911.db2.gz PMQOMOJHHMYQBG-QRVBRYPASA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351582122 428100914 /nfs/dbraw/zinc/10/09/14/428100914.db2.gz PMQOMOJHHMYQBG-QRVBRYPASA-N 2 1 302.462 2.758 20 0 DFADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@H+](C)C[C@H]3C)cn2)CC1 ZINC000359992714 428107716 /nfs/dbraw/zinc/10/77/16/428107716.db2.gz KOCGFNMHBAKTJD-AEFFLSMTSA-N 2 1 316.493 2.748 20 0 DFADMP CC1CCN(c2ccc(C[NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)cn2)CC1 ZINC000359992714 428107720 /nfs/dbraw/zinc/10/77/20/428107720.db2.gz KOCGFNMHBAKTJD-AEFFLSMTSA-N 2 1 316.493 2.748 20 0 DFADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)cn2)CC1 ZINC000359992717 428108514 /nfs/dbraw/zinc/10/85/14/428108514.db2.gz KOCGFNMHBAKTJD-SJLPKXTDSA-N 2 1 316.493 2.748 20 0 DFADMP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)cn2)CC1 ZINC000359992717 428108518 /nfs/dbraw/zinc/10/85/18/428108518.db2.gz KOCGFNMHBAKTJD-SJLPKXTDSA-N 2 1 316.493 2.748 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000370015137 428111222 /nfs/dbraw/zinc/11/12/22/428111222.db2.gz BVTPOXAJJHHDJT-INIZCTEOSA-N 2 1 318.465 2.531 20 0 DFADMP CC[C@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351967402 428118587 /nfs/dbraw/zinc/11/85/87/428118587.db2.gz LIEGNXWVCIIDIB-DOTOQJQBSA-N 2 1 306.450 2.533 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352386008 428133729 /nfs/dbraw/zinc/13/37/29/428133729.db2.gz QOUSZPQOLSMISB-INIZCTEOSA-N 2 1 317.481 3.143 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNc1cc[nH+]c(N2CCCCC2)n1 ZINC000352386008 428133733 /nfs/dbraw/zinc/13/37/33/428133733.db2.gz QOUSZPQOLSMISB-INIZCTEOSA-N 2 1 317.481 3.143 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCc1nccs1 ZINC000360056392 428136015 /nfs/dbraw/zinc/13/60/15/428136015.db2.gz HFWLNDWBKKVGDV-PMPSAXMXSA-N 2 1 323.506 2.555 20 0 DFADMP Cc1cc(C)n2c(C[N@@H+](CCC[NH3+])CC3CCCC3)cnc2n1 ZINC000352540346 428142270 /nfs/dbraw/zinc/14/22/70/428142270.db2.gz KBBXIYSKRQNSJM-UHFFFAOYSA-N 2 1 315.465 2.687 20 0 DFADMP CC1(C)Cc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2O1 ZINC000352541088 428142896 /nfs/dbraw/zinc/14/28/96/428142896.db2.gz TZYXBPKLFIYQTF-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)ccc2O1 ZINC000352541088 428142899 /nfs/dbraw/zinc/14/28/99/428142899.db2.gz TZYXBPKLFIYQTF-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP C[N@@H+](Cc1ccc(Cl)cc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370265413 428172466 /nfs/dbraw/zinc/17/24/66/428172466.db2.gz HKYZJXBXLSEJAJ-GOSISDBHSA-N 2 1 321.896 2.940 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(F)c3)C2)nc(C)[nH+]1 ZINC000377617141 428172937 /nfs/dbraw/zinc/17/29/37/428172937.db2.gz DXGCSAOJLPZRPV-QGZVFWFLSA-N 2 1 314.408 2.991 20 0 DFADMP C[N@H+](CCCOCc1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377625197 428176568 /nfs/dbraw/zinc/17/65/68/428176568.db2.gz HXVNLQOVROSEMT-SFHVURJKSA-N 2 1 313.445 2.984 20 0 DFADMP C[N@@H+](CCCOCc1ccccc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377625197 428176573 /nfs/dbraw/zinc/17/65/73/428176573.db2.gz HXVNLQOVROSEMT-SFHVURJKSA-N 2 1 313.445 2.984 20 0 DFADMP CCCn1nc(C)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000377625260 428176780 /nfs/dbraw/zinc/17/67/80/428176780.db2.gz LYMNMYSMMGQXLF-SJPCQFCGSA-N 2 1 304.482 2.967 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1CCCO1 ZINC000346475888 428186040 /nfs/dbraw/zinc/18/60/40/428186040.db2.gz CTSNFSPPKHFOJO-GPMSIDNRSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1CCCO1 ZINC000346475888 428186044 /nfs/dbraw/zinc/18/60/44/428186044.db2.gz CTSNFSPPKHFOJO-GPMSIDNRSA-N 2 1 318.461 2.564 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370305089 428178810 /nfs/dbraw/zinc/17/88/10/428178810.db2.gz GBYOKFLHRRPNAN-HNNXBMFYSA-N 2 1 319.449 2.742 20 0 DFADMP CCCn1nccc1C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000370295870 428180680 /nfs/dbraw/zinc/18/06/80/428180680.db2.gz XSFQZBAFJRXJDM-QGZVFWFLSA-N 2 1 304.482 2.957 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377644359 428182285 /nfs/dbraw/zinc/18/22/85/428182285.db2.gz FGSZVWPSODMKPG-PBHICJAKSA-N 2 1 317.408 2.558 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377644359 428182289 /nfs/dbraw/zinc/18/22/89/428182289.db2.gz FGSZVWPSODMKPG-PBHICJAKSA-N 2 1 317.408 2.558 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000414113635 428209417 /nfs/dbraw/zinc/20/94/17/428209417.db2.gz KZGOZWRWZCAIHD-DLBZAZTESA-N 2 1 320.477 2.747 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1C ZINC000414128068 428215359 /nfs/dbraw/zinc/21/53/59/428215359.db2.gz SWHKLYOBNSNAEU-RACLHMPKSA-N 2 1 316.489 2.894 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@H]1C ZINC000414128068 428215365 /nfs/dbraw/zinc/21/53/65/428215365.db2.gz SWHKLYOBNSNAEU-RACLHMPKSA-N 2 1 316.489 2.894 20 0 DFADMP CC[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000360232654 428216254 /nfs/dbraw/zinc/21/62/54/428216254.db2.gz BXMSXPOHEVPMLR-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000360232654 428216258 /nfs/dbraw/zinc/21/62/58/428216258.db2.gz BXMSXPOHEVPMLR-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000360232654 428216262 /nfs/dbraw/zinc/21/62/62/428216262.db2.gz BXMSXPOHEVPMLR-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000360232654 428216266 /nfs/dbraw/zinc/21/62/66/428216266.db2.gz BXMSXPOHEVPMLR-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1n[nH]c(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356523062 428216575 /nfs/dbraw/zinc/21/65/75/428216575.db2.gz JMGQIBCESLRYRT-RTBURBONSA-N 2 1 324.472 2.980 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356523062 428216581 /nfs/dbraw/zinc/21/65/81/428216581.db2.gz JMGQIBCESLRYRT-RTBURBONSA-N 2 1 324.472 2.980 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356523062 428216586 /nfs/dbraw/zinc/21/65/86/428216586.db2.gz JMGQIBCESLRYRT-RTBURBONSA-N 2 1 324.472 2.980 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000346558393 428216723 /nfs/dbraw/zinc/21/67/23/428216723.db2.gz LGCQTFGOWCBRGO-NZSAHSFTSA-N 2 1 320.477 2.853 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)[C@H]1CCCO1)c1ccccc1 ZINC000346558393 428216728 /nfs/dbraw/zinc/21/67/28/428216728.db2.gz LGCQTFGOWCBRGO-NZSAHSFTSA-N 2 1 320.477 2.853 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000414155498 428219284 /nfs/dbraw/zinc/21/92/84/428219284.db2.gz SXNBFUCEXMZKMZ-INIZCTEOSA-N 2 1 319.493 2.680 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCO3)CC2)oc1C ZINC000346568589 428221397 /nfs/dbraw/zinc/22/13/97/428221397.db2.gz UOBKUZGVJIQNSL-YOEHRIQHSA-N 2 1 321.465 2.661 20 0 DFADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000377764861 428223844 /nfs/dbraw/zinc/22/38/44/428223844.db2.gz ZKTXPZHILCVTBK-RCCFBDPRSA-N 2 1 310.445 2.718 20 0 DFADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000377764861 428223850 /nfs/dbraw/zinc/22/38/50/428223850.db2.gz ZKTXPZHILCVTBK-RCCFBDPRSA-N 2 1 310.445 2.718 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414172881 428224936 /nfs/dbraw/zinc/22/49/36/428224936.db2.gz FQZPRYYVWGHZRK-LSDHHAIUSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000414187212 428229261 /nfs/dbraw/zinc/22/92/61/428229261.db2.gz PRCLPILEUIFIJO-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352754842 428230850 /nfs/dbraw/zinc/23/08/50/428230850.db2.gz KIGRFHKAVJAXQL-HNNXBMFYSA-N 2 1 324.538 2.662 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352754842 428230856 /nfs/dbraw/zinc/23/08/56/428230856.db2.gz KIGRFHKAVJAXQL-HNNXBMFYSA-N 2 1 324.538 2.662 20 0 DFADMP Brc1ccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)nc1 ZINC000357059506 273473143 /nfs/dbraw/zinc/47/31/43/273473143.db2.gz XFMKTMMYGYDOPO-ZDUSSCGKSA-N 2 1 324.266 2.666 20 0 DFADMP CCn1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)n1 ZINC000414216313 428235355 /nfs/dbraw/zinc/23/53/55/428235355.db2.gz ZMXIJLXIFYDGAJ-OAHLLOKOSA-N 2 1 316.449 2.694 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000352766970 428238492 /nfs/dbraw/zinc/23/84/92/428238492.db2.gz ZTQLSKWGHBVVKD-OAHLLOKOSA-N 2 1 324.538 2.949 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000352766970 428238495 /nfs/dbraw/zinc/23/84/95/428238495.db2.gz ZTQLSKWGHBVVKD-OAHLLOKOSA-N 2 1 324.538 2.949 20 0 DFADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000377667713 428188405 /nfs/dbraw/zinc/18/84/05/428188405.db2.gz DOTHTAAMCWFKMA-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP CN1CC[C@@H](NCC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000377667713 428188409 /nfs/dbraw/zinc/18/84/09/428188409.db2.gz DOTHTAAMCWFKMA-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP CN1CC[C@@H](NCC[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(F)cc1 ZINC000377667713 428188414 /nfs/dbraw/zinc/18/84/14/428188414.db2.gz DOTHTAAMCWFKMA-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP CC[NH+](CC)CCCC1CCN(c2cc[nH+]c(N(C)C)n2)CC1 ZINC000360173231 428191696 /nfs/dbraw/zinc/19/16/96/428191696.db2.gz XYOKUORDVWVHAX-UHFFFAOYSA-N 2 1 319.497 2.881 20 0 DFADMP C[N@H+](Cc1nc(-c2ccccc2)no1)C[C@H]1CCn2ccnc2C1 ZINC000377687569 428196415 /nfs/dbraw/zinc/19/64/15/428196415.db2.gz UZHOABMLQCHXKD-AWEZNQCLSA-N 2 1 323.400 2.628 20 0 DFADMP C[N@H+](Cc1nc(-c2ccccc2)no1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377687569 428196432 /nfs/dbraw/zinc/19/64/32/428196432.db2.gz UZHOABMLQCHXKD-AWEZNQCLSA-N 2 1 323.400 2.628 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414075175 428198044 /nfs/dbraw/zinc/19/80/44/428198044.db2.gz XKUNWCLJLAFYAC-CVEARBPZSA-N 2 1 305.466 2.875 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000414072038 428199566 /nfs/dbraw/zinc/19/95/66/428199566.db2.gz MIOHXRACONQNHV-HOTGVXAUSA-N 2 1 306.450 2.501 20 0 DFADMP CC(C)n1cc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000377705236 428202120 /nfs/dbraw/zinc/20/21/20/428202120.db2.gz YWCZKZGUOIXICA-UHFFFAOYSA-N 2 1 313.449 2.960 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000370654440 428264552 /nfs/dbraw/zinc/26/45/52/428264552.db2.gz SXDWUJSLRVHVMF-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000370654440 428264556 /nfs/dbraw/zinc/26/45/56/428264556.db2.gz SXDWUJSLRVHVMF-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000370654440 428264563 /nfs/dbraw/zinc/26/45/63/428264563.db2.gz SXDWUJSLRVHVMF-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000346690199 428273363 /nfs/dbraw/zinc/27/33/63/428273363.db2.gz STVRSLHEIZACFA-RDTXWAMCSA-N 2 1 312.461 2.717 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000346685529 428273576 /nfs/dbraw/zinc/27/35/76/428273576.db2.gz SQADSWGTMCEZEE-JSGCOSHPSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000346685529 428273579 /nfs/dbraw/zinc/27/35/79/428273579.db2.gz SQADSWGTMCEZEE-JSGCOSHPSA-N 2 1 304.825 2.695 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000346685460 428274403 /nfs/dbraw/zinc/27/44/03/428274403.db2.gz SIHILQBOAQDZPO-QGZVFWFLSA-N 2 1 300.450 2.892 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346694763 428275200 /nfs/dbraw/zinc/27/52/00/428275200.db2.gz WBLPBCKIKDYQKR-KBXCAEBGSA-N 2 1 312.461 2.717 20 0 DFADMP CC(=O)NCCc1ccc([C@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000356694135 428275814 /nfs/dbraw/zinc/27/58/14/428275814.db2.gz JIQQKUVLRHTPLS-INIZCTEOSA-N 2 1 319.493 2.746 20 0 DFADMP C[NH2+]C[C@@H]1CCCN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346693205 428276870 /nfs/dbraw/zinc/27/68/70/428276870.db2.gz LLFZIQUAOQBDJL-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694082 428278299 /nfs/dbraw/zinc/27/82/99/428278299.db2.gz RTVTYJGTRXBMFV-WCQYABFASA-N 2 1 302.340 2.797 20 0 DFADMP CCCC[NH+]1CCC(Nc2cccc(-n3cc[nH+]c3C)n2)CC1 ZINC000370746617 428288700 /nfs/dbraw/zinc/28/87/00/428288700.db2.gz FUBNFCVPCFWMDM-UHFFFAOYSA-N 2 1 313.449 3.252 20 0 DFADMP Cc1occc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000414413779 428289908 /nfs/dbraw/zinc/28/99/08/428289908.db2.gz SMMPWIAXRZAKPA-UHFFFAOYSA-N 2 1 305.466 2.578 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342080164 428295658 /nfs/dbraw/zinc/29/56/58/428295658.db2.gz FZTRCBAETDVRCI-LZWOXQAQSA-N 2 1 319.424 2.522 20 0 DFADMP CCc1nocc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000352886167 428295680 /nfs/dbraw/zinc/29/56/80/428295680.db2.gz OYRDSOJPUIPYBP-UHFFFAOYSA-N 2 1 314.433 2.980 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000370767478 428296367 /nfs/dbraw/zinc/29/63/67/428296367.db2.gz UGYYJTUKLTXHPO-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cnc(C(C)(C)C)nc2)C1 ZINC000377835855 428241898 /nfs/dbraw/zinc/24/18/98/428241898.db2.gz XBKLSOJTFHDBEE-CVEARBPZSA-N 2 1 302.466 2.690 20 0 DFADMP C[N@@H+](Cc1ccc(Br)o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377859144 428247259 /nfs/dbraw/zinc/24/72/59/428247259.db2.gz FYUANJHTJOQLTG-LLVKDONJSA-N 2 1 324.222 2.933 20 0 DFADMP C[N@H+](Cc1ccc(Br)o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377859144 428247264 /nfs/dbraw/zinc/24/72/64/428247264.db2.gz FYUANJHTJOQLTG-LLVKDONJSA-N 2 1 324.222 2.933 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2C1 ZINC000352790272 428252292 /nfs/dbraw/zinc/25/22/92/428252292.db2.gz RLBWAXBSMGMVHR-YJLNNSPDSA-N 2 1 315.461 2.552 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2C1 ZINC000352790272 428252295 /nfs/dbraw/zinc/25/22/95/428252295.db2.gz RLBWAXBSMGMVHR-YJLNNSPDSA-N 2 1 315.461 2.552 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000356607743 428253109 /nfs/dbraw/zinc/25/31/09/428253109.db2.gz YEJXJUWBDXVYJM-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000370616211 428254388 /nfs/dbraw/zinc/25/43/88/428254388.db2.gz PTEZDBITQVPIEJ-YOEHRIQHSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC[N@H+]1C ZINC000370616211 428254393 /nfs/dbraw/zinc/25/43/93/428254393.db2.gz PTEZDBITQVPIEJ-YOEHRIQHSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000370616208 428254659 /nfs/dbraw/zinc/25/46/59/428254659.db2.gz PTEZDBITQVPIEJ-PBHICJAKSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC[N@H+]1C ZINC000370616208 428254664 /nfs/dbraw/zinc/25/46/64/428254664.db2.gz PTEZDBITQVPIEJ-PBHICJAKSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000360328836 428254678 /nfs/dbraw/zinc/25/46/78/428254678.db2.gz HQPHASQCOHVLMF-CRAIPNDOSA-N 2 1 320.452 2.804 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000356622721 428257642 /nfs/dbraw/zinc/25/76/42/428257642.db2.gz CLCGUDNHYNXJRV-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000356622721 428257643 /nfs/dbraw/zinc/25/76/43/428257643.db2.gz CLCGUDNHYNXJRV-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633943 428259633 /nfs/dbraw/zinc/25/96/33/428259633.db2.gz JKKPHZHHPVLDCC-FXAWDEMLSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633943 428259636 /nfs/dbraw/zinc/25/96/36/428259636.db2.gz JKKPHZHHPVLDCC-FXAWDEMLSA-N 2 1 315.505 2.828 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000414441302 428298187 /nfs/dbraw/zinc/29/81/87/428298187.db2.gz WFEMDBLKQOUURG-HNNXBMFYSA-N 2 1 316.424 2.703 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000352816274 428261204 /nfs/dbraw/zinc/26/12/04/428261204.db2.gz NYGJLEMBUHWGND-RTBURBONSA-N 2 1 300.446 2.621 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000352816274 428261206 /nfs/dbraw/zinc/26/12/06/428261206.db2.gz NYGJLEMBUHWGND-RTBURBONSA-N 2 1 300.446 2.621 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@H]4CCOC4)C3)C2)cc1 ZINC000352816274 428261211 /nfs/dbraw/zinc/26/12/11/428261211.db2.gz NYGJLEMBUHWGND-RTBURBONSA-N 2 1 300.446 2.621 20 0 DFADMP Cn1cc([C@@H]([NH2+]CC2=CC[N@H+](C)CC2)c2cccc(F)c2)cn1 ZINC000352923475 428313047 /nfs/dbraw/zinc/31/30/47/428313047.db2.gz ALZGKGKIOPKANR-SFHVURJKSA-N 2 1 314.408 2.500 20 0 DFADMP Cn1cc([C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)c2cccc(F)c2)cn1 ZINC000352923475 428313054 /nfs/dbraw/zinc/31/30/54/428313054.db2.gz ALZGKGKIOPKANR-SFHVURJKSA-N 2 1 314.408 2.500 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCCS2)[C@H](C)C1 ZINC000346786500 428317719 /nfs/dbraw/zinc/31/77/19/428317719.db2.gz CXNIQYROECFKAW-ZACQAIPSSA-N 2 1 314.539 2.999 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000356827248 428326905 /nfs/dbraw/zinc/32/69/05/428326905.db2.gz ZFIPPIBNPRKVRW-HNNXBMFYSA-N 2 1 309.498 2.630 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@@H]21 ZINC000346813223 428327714 /nfs/dbraw/zinc/32/77/14/428327714.db2.gz ADAMEXVPOWTHQE-VNQPRFMTSA-N 2 1 310.388 2.890 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346814847 428328981 /nfs/dbraw/zinc/32/89/81/428328981.db2.gz CRCXHVSCWHIVRX-IACUBPJLSA-N 2 1 318.852 2.786 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346814847 428328984 /nfs/dbraw/zinc/32/89/84/428328984.db2.gz CRCXHVSCWHIVRX-IACUBPJLSA-N 2 1 318.852 2.786 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352971979 428330843 /nfs/dbraw/zinc/33/08/43/428330843.db2.gz MRMUTZXLNUHUBZ-ROUUACIJSA-N 2 1 321.509 2.728 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@H]21 ZINC000346823576 428331169 /nfs/dbraw/zinc/33/11/69/428331169.db2.gz FGSXCJKECDOJNC-ZTFGCOKTSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4ccc(Cl)cn34)C[C@H]21 ZINC000346819901 428331467 /nfs/dbraw/zinc/33/14/67/428331467.db2.gz FSTVTBKOECOXNG-NILFDRSVSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4ccc(Cl)cn34)C[C@H]21 ZINC000346819901 428331471 /nfs/dbraw/zinc/33/14/71/428331471.db2.gz FSTVTBKOECOXNG-NILFDRSVSA-N 2 1 304.825 2.547 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352972783 428331795 /nfs/dbraw/zinc/33/17/95/428331795.db2.gz YMWMHKZCAFYWJD-ONCXSQPRSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352972783 428331798 /nfs/dbraw/zinc/33/17/98/428331798.db2.gz YMWMHKZCAFYWJD-ONCXSQPRSA-N 2 1 315.505 2.827 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352972783 428331806 /nfs/dbraw/zinc/33/18/06/428331806.db2.gz YMWMHKZCAFYWJD-ONCXSQPRSA-N 2 1 315.505 2.827 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352972783 428331810 /nfs/dbraw/zinc/33/18/10/428331810.db2.gz YMWMHKZCAFYWJD-ONCXSQPRSA-N 2 1 315.505 2.827 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C[C@@H]12 ZINC000346827292 428334756 /nfs/dbraw/zinc/33/47/56/428334756.db2.gz IAOQYWSZPPZKFL-IXPVHAAZSA-N 2 1 318.371 2.524 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C[C@@H]12 ZINC000346827292 428334764 /nfs/dbraw/zinc/33/47/64/428334764.db2.gz IAOQYWSZPPZKFL-IXPVHAAZSA-N 2 1 318.371 2.524 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000346826745 428335094 /nfs/dbraw/zinc/33/50/94/428335094.db2.gz MNIFVNMOTYQVDD-RYQLBKOJSA-N 2 1 310.445 2.944 20 0 DFADMP COCC[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CCC[NH2+]C1 ZINC000346833835 428336739 /nfs/dbraw/zinc/33/67/39/428336739.db2.gz MQQHLVVMONYWMR-INIZCTEOSA-N 2 1 324.440 2.543 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346837224 428339745 /nfs/dbraw/zinc/33/97/45/428339745.db2.gz PQPZPGKGCUIZRK-ARFHVFGLSA-N 2 1 304.434 2.653 20 0 DFADMP CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000378252424 428347085 /nfs/dbraw/zinc/34/70/85/428347085.db2.gz YZKBAUPOZDKUOE-GBESFXJTSA-N 2 1 302.462 2.933 20 0 DFADMP CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000378252423 428347134 /nfs/dbraw/zinc/34/71/34/428347134.db2.gz YZKBAUPOZDKUOE-CEXWTWQISA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575544 428354834 /nfs/dbraw/zinc/35/48/34/428354834.db2.gz YXCCFJMIOXEAAF-YLJYHZDGSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575544 428354840 /nfs/dbraw/zinc/35/48/40/428354840.db2.gz YXCCFJMIOXEAAF-YLJYHZDGSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360447053 428301014 /nfs/dbraw/zinc/30/10/14/428301014.db2.gz WKQNHDWSKBWEBG-QWHCGFSZSA-N 2 1 310.413 2.835 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360447053 428301017 /nfs/dbraw/zinc/30/10/17/428301017.db2.gz WKQNHDWSKBWEBG-QWHCGFSZSA-N 2 1 310.413 2.835 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360447050 428301152 /nfs/dbraw/zinc/30/11/52/428301152.db2.gz WKQNHDWSKBWEBG-OLZOCXBDSA-N 2 1 310.413 2.835 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360447050 428301158 /nfs/dbraw/zinc/30/11/58/428301158.db2.gz WKQNHDWSKBWEBG-OLZOCXBDSA-N 2 1 310.413 2.835 20 0 DFADMP COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735208 428391364 /nfs/dbraw/zinc/39/13/64/428391364.db2.gz CETPMWVZMZXTOO-HIFRSBDPSA-N 2 1 324.852 2.703 20 0 DFADMP COC(=O)C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735208 428391368 /nfs/dbraw/zinc/39/13/68/428391368.db2.gz CETPMWVZMZXTOO-HIFRSBDPSA-N 2 1 324.852 2.703 20 0 DFADMP CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414754283 428394277 /nfs/dbraw/zinc/39/42/77/428394277.db2.gz XMOMIRQVPKLTLS-GDBMZVCRSA-N 2 1 322.424 2.579 20 0 DFADMP CCOC(=O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414754283 428394281 /nfs/dbraw/zinc/39/42/81/428394281.db2.gz XMOMIRQVPKLTLS-GDBMZVCRSA-N 2 1 322.424 2.579 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000371534082 428394725 /nfs/dbraw/zinc/39/47/25/428394725.db2.gz MHMSKXLYNNCCFL-IBGZPJMESA-N 2 1 317.477 2.801 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C2CCCCC2)n1 ZINC000414765393 428397446 /nfs/dbraw/zinc/39/74/46/428397446.db2.gz FUIPCQMYKANSKY-CALCHBBNSA-N 2 1 316.493 2.899 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH2+]C[C@](C)(F)C1 ZINC000414764480 428398674 /nfs/dbraw/zinc/39/86/74/428398674.db2.gz DMWZDNMECSQXRS-IBGZPJMESA-N 2 1 321.484 2.778 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000346995450 428399742 /nfs/dbraw/zinc/39/97/42/428399742.db2.gz BHWUONZPYCSOQE-CYBMUJFWSA-N 2 1 302.340 2.669 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000346995450 428399746 /nfs/dbraw/zinc/39/97/46/428399746.db2.gz BHWUONZPYCSOQE-CYBMUJFWSA-N 2 1 302.340 2.669 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773514 428401395 /nfs/dbraw/zinc/40/13/95/428401395.db2.gz XBDCZVFKOOIHTQ-BETUJISGSA-N 2 1 318.852 2.658 20 0 DFADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OC ZINC000414773131 428401746 /nfs/dbraw/zinc/40/17/46/428401746.db2.gz WHVMXKJAHAZSBH-IYBDPMFKSA-N 2 1 304.434 2.525 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414773628 428402171 /nfs/dbraw/zinc/40/21/71/428402171.db2.gz DQBOIRYDEGGWKF-QZTJIDSGSA-N 2 1 316.493 2.748 20 0 DFADMP CC(C)([NH3+])CN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000346998929 428402454 /nfs/dbraw/zinc/40/24/54/428402454.db2.gz YMQNIQSUQNONAV-ZWKOTPCHSA-N 2 1 301.478 2.710 20 0 DFADMP C[C@H](CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775725 428403414 /nfs/dbraw/zinc/40/34/14/428403414.db2.gz GNGDJFPAYZTOCO-SJLPKXTDSA-N 2 1 302.462 2.868 20 0 DFADMP CCOc1c(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)nn1CC(C)C ZINC000346997926 428403626 /nfs/dbraw/zinc/40/36/26/428403626.db2.gz DRPGWGUPGMAAKI-ZBFHGGJFSA-N 2 1 322.497 2.805 20 0 DFADMP CCOc1c(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(C)nn1CC(C)C ZINC000346997926 428403629 /nfs/dbraw/zinc/40/36/29/428403629.db2.gz DRPGWGUPGMAAKI-ZBFHGGJFSA-N 2 1 322.497 2.805 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(Cl)cs2)CC12CCOCC2 ZINC000414779872 428404062 /nfs/dbraw/zinc/40/40/62/428404062.db2.gz KTVZMFKRWYTKPM-NSHDSACASA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(Cl)cs2)CC12CCOCC2 ZINC000414779872 428404068 /nfs/dbraw/zinc/40/40/68/428404068.db2.gz KTVZMFKRWYTKPM-NSHDSACASA-N 2 1 300.855 2.589 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779615 428405206 /nfs/dbraw/zinc/40/52/06/428405206.db2.gz KOIZDXCLRPKBBH-IAGOWNOFSA-N 2 1 318.461 2.533 20 0 DFADMP FC(F)(F)c1ncc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414780791 428405425 /nfs/dbraw/zinc/40/54/25/428405425.db2.gz LYLVIJWFFYXJSH-QWRGUYRKSA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1ncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414780791 428405432 /nfs/dbraw/zinc/40/54/32/428405432.db2.gz LYLVIJWFFYXJSH-QWRGUYRKSA-N 2 1 319.396 2.983 20 0 DFADMP COC(=O)C[C@](C)(NCC[C@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000353152523 428406809 /nfs/dbraw/zinc/40/68/09/428406809.db2.gz XFNMDICJPZKIPO-AEFFLSMTSA-N 2 1 322.424 2.678 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784879 428406972 /nfs/dbraw/zinc/40/69/72/428406972.db2.gz RSCUHGWXTARQPZ-HOTGVXAUSA-N 2 1 318.461 2.834 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414785725 428407305 /nfs/dbraw/zinc/40/73/05/428407305.db2.gz TUTJEAGZCHCDRS-QZTJIDSGSA-N 2 1 314.477 2.503 20 0 DFADMP CCn1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788176 428408947 /nfs/dbraw/zinc/40/89/47/428408947.db2.gz WJODZWNKFQMYJY-CVEARBPZSA-N 2 1 312.461 2.878 20 0 DFADMP CCn1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788186 428410203 /nfs/dbraw/zinc/41/02/03/428410203.db2.gz WJODZWNKFQMYJY-JKSUJKDBSA-N 2 1 312.461 2.878 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347024290 428410672 /nfs/dbraw/zinc/41/06/72/428410672.db2.gz QQQGDKIBUVDQAE-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP CCCOc1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347024290 428410677 /nfs/dbraw/zinc/41/06/77/428410677.db2.gz QQQGDKIBUVDQAE-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP Brc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000414785743 428410908 /nfs/dbraw/zinc/41/09/08/428410908.db2.gz TVTFQRDGLMIDQU-STQMWFEESA-N 2 1 324.266 2.666 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1cnn2ccccc12 ZINC000353034293 428364736 /nfs/dbraw/zinc/36/47/36/428364736.db2.gz ARQPBUSQDZOIDO-VQIMIIECSA-N 2 1 320.440 2.944 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cnn2ccccc12 ZINC000353034293 428364738 /nfs/dbraw/zinc/36/47/38/428364738.db2.gz ARQPBUSQDZOIDO-VQIMIIECSA-N 2 1 320.440 2.944 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000414653682 428365438 /nfs/dbraw/zinc/36/54/38/428365438.db2.gz BGQQOVOWPITQNM-WCBMZHEXSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)s1 ZINC000414653682 428365444 /nfs/dbraw/zinc/36/54/44/428365444.db2.gz BGQQOVOWPITQNM-WCBMZHEXSA-N 2 1 303.269 2.988 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@H]1COc2ccccc2O1 ZINC000414672233 428369876 /nfs/dbraw/zinc/36/98/76/428369876.db2.gz AMPVJKJYZXCZOO-OAGGEKHMSA-N 2 1 304.434 2.536 20 0 DFADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670249 428371052 /nfs/dbraw/zinc/37/10/52/428371052.db2.gz CSROAWDXTGIETD-UONOGXRCSA-N 2 1 323.868 2.530 20 0 DFADMP CN(CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC(F)(F)F ZINC000371158272 428373805 /nfs/dbraw/zinc/37/38/05/428373805.db2.gz ROLMPVBSTMADHT-UHFFFAOYSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC[NH2+]1 ZINC000414698133 428378782 /nfs/dbraw/zinc/37/87/82/428378782.db2.gz IPPRKZCMOFBPDF-AOIWGVFYSA-N 2 1 301.478 2.975 20 0 DFADMP CCC1CCC([N@@H+](C[C@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)CC1 ZINC000414694629 428379157 /nfs/dbraw/zinc/37/91/57/428379157.db2.gz DLIWEYNRFKVJBO-CGZBRXJRSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692779 428379345 /nfs/dbraw/zinc/37/93/45/428379345.db2.gz LQHKWOACJQAWPG-QYZOEREBSA-N 3 1 307.526 2.963 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](CO)C3CCCC3)sc2C1 ZINC000353086175 428379714 /nfs/dbraw/zinc/37/97/14/428379714.db2.gz WDMARUXWUMCCTE-OAHLLOKOSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](CO)C3CCCC3)sc2C1 ZINC000353086175 428379719 /nfs/dbraw/zinc/37/97/19/428379719.db2.gz WDMARUXWUMCCTE-OAHLLOKOSA-N 2 1 323.506 2.550 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000353081714 428380360 /nfs/dbraw/zinc/38/03/60/428380360.db2.gz OEPQHUVKVKGWIK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353081714 428380365 /nfs/dbraw/zinc/38/03/65/428380365.db2.gz OEPQHUVKVKGWIK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353081714 428380371 /nfs/dbraw/zinc/38/03/71/428380371.db2.gz OEPQHUVKVKGWIK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353081714 428380378 /nfs/dbraw/zinc/38/03/78/428380378.db2.gz OEPQHUVKVKGWIK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353081714 428380383 /nfs/dbraw/zinc/38/03/83/428380383.db2.gz OEPQHUVKVKGWIK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc(F)c(F)c1 ZINC000371293260 428381043 /nfs/dbraw/zinc/38/10/43/428381043.db2.gz GCLIKKYRSYBYHN-ZTFGCOKTSA-N 2 1 324.415 2.691 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(F)c(F)c1 ZINC000371293260 428381048 /nfs/dbraw/zinc/38/10/48/428381048.db2.gz GCLIKKYRSYBYHN-ZTFGCOKTSA-N 2 1 324.415 2.691 20 0 DFADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000414704619 428381477 /nfs/dbraw/zinc/38/14/77/428381477.db2.gz WGMKZMGVXKULGP-AEFFLSMTSA-N 2 1 319.493 2.747 20 0 DFADMP C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@H]1N1CC[NH+](C)CC1 ZINC000371301053 428383141 /nfs/dbraw/zinc/38/31/41/428383141.db2.gz CWZANTKCSRPXML-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CC[C@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322051 428383481 /nfs/dbraw/zinc/38/34/81/428383481.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 3 1 305.510 2.667 20 0 DFADMP C[NH+](C[C@H]1CC12CC[NH+](CC[C@H]1CCC[N@@H+]1C)CC2)C1CC1 ZINC000371322051 428383485 /nfs/dbraw/zinc/38/34/85/428383485.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 3 1 305.510 2.667 20 0 DFADMP C[NH+](C[C@H]1CC12CC[NH+](CC[C@H]1CCC[N@H+]1C)CC2)C1CC1 ZINC000371322051 428383492 /nfs/dbraw/zinc/38/34/92/428383492.db2.gz VOKNMIMVMTUVSE-IAGOWNOFSA-N 3 1 305.510 2.667 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+](C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713717 428383533 /nfs/dbraw/zinc/38/35/33/428383533.db2.gz WQKCFPHJZGOUBZ-UWVGGRQHSA-N 2 1 307.385 2.982 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713717 428383538 /nfs/dbraw/zinc/38/35/38/428383538.db2.gz WQKCFPHJZGOUBZ-UWVGGRQHSA-N 2 1 307.385 2.982 20 0 DFADMP c1cc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cs1 ZINC000357089376 428383637 /nfs/dbraw/zinc/38/36/37/428383637.db2.gz PMGAEXRWFNZVBE-ZDUSSCGKSA-N 2 1 318.446 2.620 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710145 428383759 /nfs/dbraw/zinc/38/37/59/428383759.db2.gz RLZITUIHTGZTMV-SOLBZPMBSA-N 2 1 315.461 2.502 20 0 DFADMP [NH3+]CCOCC[N@H+](Cc1ccccc1)Cc1ccccc1F ZINC000357093777 428384394 /nfs/dbraw/zinc/38/43/94/428384394.db2.gz YQTYRIKENHFPJF-UHFFFAOYSA-N 2 1 302.393 2.803 20 0 DFADMP [NH3+]CCOCC[N@@H+](Cc1ccccc1)Cc1ccccc1F ZINC000357093777 428384398 /nfs/dbraw/zinc/38/43/98/428384398.db2.gz YQTYRIKENHFPJF-UHFFFAOYSA-N 2 1 302.393 2.803 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)O[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715946 428385030 /nfs/dbraw/zinc/38/50/30/428385030.db2.gz WINCYHSHUWGTQR-ATNYBXOESA-N 2 1 306.425 2.976 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)nc1 ZINC000357098316 428386638 /nfs/dbraw/zinc/38/66/38/428386638.db2.gz AODBMGDJMYIFPO-ZWKOTPCHSA-N 2 1 323.440 2.702 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)nc1 ZINC000357098316 428386644 /nfs/dbraw/zinc/38/66/44/428386644.db2.gz AODBMGDJMYIFPO-ZWKOTPCHSA-N 2 1 323.440 2.702 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078582 428434020 /nfs/dbraw/zinc/43/40/20/428434020.db2.gz WCIZIFZAIXTWNR-HIFRSBDPSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078582 428434026 /nfs/dbraw/zinc/43/40/26/428434026.db2.gz WCIZIFZAIXTWNR-HIFRSBDPSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@@H](NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414856556 428435362 /nfs/dbraw/zinc/43/53/62/428435362.db2.gz OIPOESIZPNZHGQ-SJLPKXTDSA-N 2 1 301.478 2.629 20 0 DFADMP COCc1ccccc1/C=C(\C)C[NH+]1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000353229185 428441079 /nfs/dbraw/zinc/44/10/79/428441079.db2.gz DIUSZRGWKVOYRD-RWFIREACSA-N 2 1 300.446 2.730 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(Br)c3cccnc23)CCC1 ZINC000414885726 428443768 /nfs/dbraw/zinc/44/37/68/428443768.db2.gz XIOGHJQJRSKRMD-UHFFFAOYSA-N 2 1 320.234 2.968 20 0 DFADMP CCOc1cc(C[N@H+](C)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000347114110 428451124 /nfs/dbraw/zinc/45/11/24/428451124.db2.gz SEBIDLKGMUXSKL-UHFFFAOYSA-N 2 1 314.376 2.871 20 0 DFADMP CCOc1cc(C[N@@H+](C)C2CC[NH2+]CC2)ccc1OC(F)F ZINC000347114110 428451127 /nfs/dbraw/zinc/45/11/27/428451127.db2.gz SEBIDLKGMUXSKL-UHFFFAOYSA-N 2 1 314.376 2.871 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c(-c2ccccc2Cl)n1 ZINC000414902476 428451718 /nfs/dbraw/zinc/45/17/18/428451718.db2.gz YJAYXELYVWULJR-OAHLLOKOSA-N 2 1 304.825 2.567 20 0 DFADMP C[C@@]1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CCC[NH2+]C1 ZINC000414904254 428452666 /nfs/dbraw/zinc/45/26/66/428452666.db2.gz NFPRBCZPJSEARQ-MRXNPFEDSA-N 2 1 310.825 2.591 20 0 DFADMP CCC[N@@H+](Cc1cccc(OCCOC)c1)C1CC[NH2+]CC1 ZINC000347117677 428454758 /nfs/dbraw/zinc/45/47/58/428454758.db2.gz WYYZHYSYHCGPHZ-UHFFFAOYSA-N 2 1 306.450 2.676 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414914699 428455186 /nfs/dbraw/zinc/45/51/86/428455186.db2.gz LGHMHCITFAVXNA-CYBMUJFWSA-N 2 1 313.239 2.689 20 0 DFADMP CC[C@@H](C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000353260986 428455405 /nfs/dbraw/zinc/45/54/05/428455405.db2.gz PJRUGIHEYYRVRI-IRXDYDNUSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414928170 428459187 /nfs/dbraw/zinc/45/91/87/428459187.db2.gz MPIAIXSJBFSYEG-MNIJEXPFSA-N 2 1 313.489 2.770 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000386768828 428459633 /nfs/dbraw/zinc/45/96/33/428459633.db2.gz HHJVVQSPBHAAPC-AEFFLSMTSA-N 2 1 301.434 2.609 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414924394 428459873 /nfs/dbraw/zinc/45/98/73/428459873.db2.gz KCUFRFWZHFERED-NWDGAFQWSA-N 2 1 313.239 2.817 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414932543 428461951 /nfs/dbraw/zinc/46/19/51/428461951.db2.gz CTWXFORYEBWVER-GWCFXTLKSA-N 2 1 313.239 2.545 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)C[NH3+])c(-c2ccccc2)cc1OC ZINC000414936235 428462299 /nfs/dbraw/zinc/46/22/99/428462299.db2.gz BUJDQTYHXFXCRB-ZDUSSCGKSA-N 2 1 300.402 2.808 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414944856 428464448 /nfs/dbraw/zinc/46/44/48/428464448.db2.gz HLGSNUWDFIJJNK-UKBAYJJMSA-N 2 1 301.478 2.770 20 0 DFADMP FC(F)Oc1cccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000372576831 428466144 /nfs/dbraw/zinc/46/61/44/428466144.db2.gz MHXSLEQZHHYYIR-CYBMUJFWSA-N 2 1 307.344 2.837 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347033073 428415854 /nfs/dbraw/zinc/41/58/54/428415854.db2.gz FGGMMWIPUKVCOW-ZDUSSCGKSA-N 2 1 304.825 2.696 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347033073 428415858 /nfs/dbraw/zinc/41/58/58/428415858.db2.gz FGGMMWIPUKVCOW-ZDUSSCGKSA-N 2 1 304.825 2.696 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000347036022 428418864 /nfs/dbraw/zinc/41/88/64/428418864.db2.gz DZHXDEULGUTGIH-DOTOQJQBSA-N 2 1 306.450 2.661 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000347043439 428419793 /nfs/dbraw/zinc/41/97/93/428419793.db2.gz MURPYQHQLYRFFD-GFCCVEGCSA-N 2 1 304.825 2.901 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347040380 428421274 /nfs/dbraw/zinc/42/12/74/428421274.db2.gz KKCYRILBFWJVLZ-LSDHHAIUSA-N 2 1 305.441 2.985 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347040380 428421277 /nfs/dbraw/zinc/42/12/77/428421277.db2.gz KKCYRILBFWJVLZ-LSDHHAIUSA-N 2 1 305.441 2.985 20 0 DFADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OCC(C)C ZINC000414812564 428421645 /nfs/dbraw/zinc/42/16/45/428421645.db2.gz XLMBVOGOFSVTCB-INIZCTEOSA-N 2 1 306.450 2.947 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(N2CCCC2)nc1)C1CCCCC1 ZINC000414840892 428431102 /nfs/dbraw/zinc/43/11/02/428431102.db2.gz MSNHUFUSNKODSR-QGZVFWFLSA-N 2 1 302.466 2.679 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000347062757 428431426 /nfs/dbraw/zinc/43/14/26/428431426.db2.gz CDFOKXAACKGFKR-INIZCTEOSA-N 2 1 306.450 2.771 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000347062757 428431430 /nfs/dbraw/zinc/43/14/30/428431430.db2.gz CDFOKXAACKGFKR-INIZCTEOSA-N 2 1 306.450 2.771 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414846243 428432533 /nfs/dbraw/zinc/43/25/33/428432533.db2.gz ULELHQPPKRIOHO-LJQANCHMSA-N 3 1 315.505 2.673 20 0 DFADMP C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414847574 428433126 /nfs/dbraw/zinc/43/31/26/428433126.db2.gz FUTVUJMSRHRFRQ-IEBWSBKVSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414847574 428433132 /nfs/dbraw/zinc/43/31/32/428433132.db2.gz FUTVUJMSRHRFRQ-IEBWSBKVSA-N 3 1 315.505 2.671 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000347175768 428481388 /nfs/dbraw/zinc/48/13/88/428481388.db2.gz QITYMBOAAOYRQN-INIZCTEOSA-N 2 1 306.450 2.914 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000347175768 428481394 /nfs/dbraw/zinc/48/13/94/428481394.db2.gz QITYMBOAAOYRQN-INIZCTEOSA-N 2 1 306.450 2.914 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)s1 ZINC000415000054 428484745 /nfs/dbraw/zinc/48/47/45/428484745.db2.gz JWOLLUYKHIAQFF-JTQLQIEISA-N 2 1 303.422 2.775 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000347183438 428484984 /nfs/dbraw/zinc/48/49/84/428484984.db2.gz XAWOKPYWDNJRJC-LBPRGKRZSA-N 2 1 310.463 2.596 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000347183438 428484991 /nfs/dbraw/zinc/48/49/91/428484991.db2.gz XAWOKPYWDNJRJC-LBPRGKRZSA-N 2 1 310.463 2.596 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)s1 ZINC000415000057 428486583 /nfs/dbraw/zinc/48/65/83/428486583.db2.gz JWOLLUYKHIAQFF-SNVBAGLBSA-N 2 1 303.422 2.775 20 0 DFADMP Cn1nccc1CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000372689920 428486889 /nfs/dbraw/zinc/48/68/89/428486889.db2.gz GACFPYGQFMSUFH-QGZVFWFLSA-N 2 1 304.482 2.551 20 0 DFADMP Cn1nccc1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000372689920 428486894 /nfs/dbraw/zinc/48/68/94/428486894.db2.gz GACFPYGQFMSUFH-QGZVFWFLSA-N 2 1 304.482 2.551 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2C[NH2+]CCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000415008011 428487856 /nfs/dbraw/zinc/48/78/56/428487856.db2.gz VLJKWJHOFMYBPG-OIISXLGYSA-N 2 1 323.431 2.626 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415013208 428488849 /nfs/dbraw/zinc/48/88/49/428488849.db2.gz XZNUZEJLBOAHTL-HNNXBMFYSA-N 2 1 320.387 2.515 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(Br)c2F)CC1 ZINC000394927297 428490481 /nfs/dbraw/zinc/49/04/81/428490481.db2.gz KDPTXVLVKKGLRC-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP c1sc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1-c1ccccc1 ZINC000415033713 428492952 /nfs/dbraw/zinc/49/29/52/428492952.db2.gz HBVFAKZWNZJBAI-INIZCTEOSA-N 2 1 302.443 2.883 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000372723120 428493318 /nfs/dbraw/zinc/49/33/18/428493318.db2.gz BFVXQJTUYPHBRA-OAHLLOKOSA-N 2 1 323.400 2.725 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CCCC1 ZINC000415034119 428493787 /nfs/dbraw/zinc/49/37/87/428493787.db2.gz CFMFBPXOWSNSIF-CQSZACIVSA-N 2 1 310.825 2.718 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415037692 428495423 /nfs/dbraw/zinc/49/54/23/428495423.db2.gz HDBHADHTINBRJS-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047098 428498356 /nfs/dbraw/zinc/49/83/56/428498356.db2.gz AHAFTUJNQVKKKI-IDHHARJASA-N 2 1 320.477 2.942 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@]1(C)C[NH3+] ZINC000415049385 428499870 /nfs/dbraw/zinc/49/98/70/428499870.db2.gz AJTCCHLIJZQETN-SJKOYZFVSA-N 2 1 302.397 2.633 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1 ZINC000415051560 428500990 /nfs/dbraw/zinc/50/09/90/428500990.db2.gz GGAFXMGHYDXCCQ-GPMSIDNRSA-N 2 1 317.477 2.937 20 0 DFADMP Cc1ccccc1C[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050591 428501032 /nfs/dbraw/zinc/50/10/32/428501032.db2.gz ISHKULCTPIMRBW-QHGAOEGBSA-N 2 1 315.505 2.732 20 0 DFADMP CCc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000372752706 428501652 /nfs/dbraw/zinc/50/16/52/428501652.db2.gz SRZQTUKCIZQGMV-CEXWTWQISA-N 2 1 302.462 2.933 20 0 DFADMP c1oc2ccccc2c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058157 428502737 /nfs/dbraw/zinc/50/27/37/428502737.db2.gz STAKESBVYMGOOH-UHFFFAOYSA-N 2 1 313.445 2.739 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360944709 428503104 /nfs/dbraw/zinc/50/31/04/428503104.db2.gz ABEGQNAJBRTTSU-IKGGRYGDSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1cc(C)cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415057700 428503369 /nfs/dbraw/zinc/50/33/69/428503369.db2.gz SGKLVCSUTLTBFI-UHFFFAOYSA-N 2 1 301.478 2.609 20 0 DFADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc(Cl)c1OC ZINC000415058572 428505061 /nfs/dbraw/zinc/50/50/61/428505061.db2.gz VSKOJOADLVGEKU-AWEZNQCLSA-N 2 1 312.841 2.964 20 0 DFADMP C[C@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399004826 428531600 /nfs/dbraw/zinc/53/16/00/428531600.db2.gz WUTAYZIQZWRNAH-JFRXWTBNSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397072564 428507076 /nfs/dbraw/zinc/50/70/76/428507076.db2.gz MXKAELRUUWNWML-SNVBAGLBSA-N 2 1 303.233 2.840 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+]CCC[NH2+]C2CC2)cc1OC ZINC000415064831 428507381 /nfs/dbraw/zinc/50/73/81/428507381.db2.gz DTOLWKZDEMTLSM-UHFFFAOYSA-N 2 1 312.841 2.979 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415063177 428508005 /nfs/dbraw/zinc/50/80/05/428508005.db2.gz GZGKOGIJJXDKCO-BLLLJJGKSA-N 2 1 307.413 2.650 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cn(C)nc2C(F)F)C1 ZINC000360956256 428508946 /nfs/dbraw/zinc/50/89/46/428508946.db2.gz UKXPSINGCLMQPY-BETUJISGSA-N 2 1 314.424 2.815 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360956256 428508951 /nfs/dbraw/zinc/50/89/51/428508951.db2.gz UKXPSINGCLMQPY-BETUJISGSA-N 2 1 314.424 2.815 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360956256 428508955 /nfs/dbraw/zinc/50/89/55/428508955.db2.gz UKXPSINGCLMQPY-BETUJISGSA-N 2 1 314.424 2.815 20 0 DFADMP CCn1nc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c2ccccc21 ZINC000397471855 428509074 /nfs/dbraw/zinc/50/90/74/428509074.db2.gz XBKVTDMOISYATP-ZNMIVQPWSA-N 2 1 300.450 2.861 20 0 DFADMP CCn1nc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c2ccccc21 ZINC000397471855 428509078 /nfs/dbraw/zinc/50/90/78/428509078.db2.gz XBKVTDMOISYATP-ZNMIVQPWSA-N 2 1 300.450 2.861 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000397404253 428509300 /nfs/dbraw/zinc/50/93/00/428509300.db2.gz SKMDLXOTAVHAOO-NOLJZWGESA-N 2 1 306.450 2.817 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000397442233 428509416 /nfs/dbraw/zinc/50/94/16/428509416.db2.gz GFIRWRHMHIDQHP-GPMSIDNRSA-N 2 1 312.461 2.737 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397458000 428509921 /nfs/dbraw/zinc/50/99/21/428509921.db2.gz PDRFFJFVLGQAMJ-FMKPAKJESA-N 2 1 304.434 2.573 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397458000 428509928 /nfs/dbraw/zinc/50/99/28/428509928.db2.gz PDRFFJFVLGQAMJ-FMKPAKJESA-N 2 1 304.434 2.573 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@H]1CCC[NH2+]1 ZINC000415082011 428512453 /nfs/dbraw/zinc/51/24/53/428512453.db2.gz LEGHOTIRXNNSPP-NVXWUHKLSA-N 2 1 306.450 2.640 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415077372 428512985 /nfs/dbraw/zinc/51/29/85/428512985.db2.gz DWFVOAOSBDKPMC-CABCVRRESA-N 2 1 306.498 2.945 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)c1 ZINC000353388241 428514042 /nfs/dbraw/zinc/51/40/42/428514042.db2.gz MSVITGHAJRVFQZ-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP COc1ccc([C@H](C[NH2+]C2CC[NH2+]CC2)N2CCCCC2)cc1 ZINC000415087972 428514520 /nfs/dbraw/zinc/51/45/20/428514520.db2.gz UJVDBGIFDJLBJT-IBGZPJMESA-N 2 1 317.477 2.564 20 0 DFADMP CC(C)C[C@@H](N)C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000415086107 428516363 /nfs/dbraw/zinc/51/63/63/428516363.db2.gz JESLGTFOBIAWFY-LJQANCHMSA-N 2 1 303.494 2.862 20 0 DFADMP C[C@]1(CN[C@H]2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000398016718 428516413 /nfs/dbraw/zinc/51/64/13/428516413.db2.gz RCOSFLOMLNYRFS-RBUKOAKNSA-N 2 1 301.478 2.773 20 0 DFADMP C[C@]1(C[NH2+][C@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000398016718 428516416 /nfs/dbraw/zinc/51/64/16/428516416.db2.gz RCOSFLOMLNYRFS-RBUKOAKNSA-N 2 1 301.478 2.773 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+][C@H]3CCN(c4ccccn4)C3)CC[NH2+]2)cc1 ZINC000415086427 428516489 /nfs/dbraw/zinc/51/64/89/428516489.db2.gz ROGMHGBVBATMSV-QYZOEREBSA-N 2 1 322.456 2.743 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCOC[C@H]3CCCO3)CC[NH2+]2)cc1 ZINC000415088339 428516663 /nfs/dbraw/zinc/51/66/63/428516663.db2.gz LVDPPUQPVFQDEP-QRVBRYPASA-N 2 1 318.461 2.655 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000398054371 428520157 /nfs/dbraw/zinc/52/01/57/428520157.db2.gz YYIRMXPVIHUCGA-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000398054371 428520161 /nfs/dbraw/zinc/52/01/61/428520161.db2.gz YYIRMXPVIHUCGA-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+]1C ZINC000357408550 428521248 /nfs/dbraw/zinc/52/12/48/428521248.db2.gz GOGSAXMVLPPVOB-KCXAZCMYSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+]1C ZINC000357408550 428521250 /nfs/dbraw/zinc/52/12/50/428521250.db2.gz GOGSAXMVLPPVOB-KCXAZCMYSA-N 2 1 323.868 2.542 20 0 DFADMP Cn1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)c(C(F)F)n1 ZINC000360983535 428524664 /nfs/dbraw/zinc/52/46/64/428524664.db2.gz OCUHBSRRXXHGOA-UHFFFAOYSA-N 2 1 300.397 2.757 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000415120883 428527536 /nfs/dbraw/zinc/52/75/36/428527536.db2.gz GMBOPBDQTVQJNV-DZGCQCFKSA-N 2 1 318.852 2.942 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000415120883 428527539 /nfs/dbraw/zinc/52/75/39/428527539.db2.gz GMBOPBDQTVQJNV-DZGCQCFKSA-N 2 1 318.852 2.942 20 0 DFADMP Clc1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415124936 428528497 /nfs/dbraw/zinc/52/84/97/428528497.db2.gz DBKXMTLKEKRKMY-CVEARBPZSA-N 2 1 306.837 2.540 20 0 DFADMP O=C(CCc1ncc[nH]1)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000353422239 428529337 /nfs/dbraw/zinc/52/93/37/428529337.db2.gz QQIIGBQRCFVPEY-MRXNPFEDSA-N 2 1 318.465 2.503 20 0 DFADMP C[C@@H](CC1CCCCC1)C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415127442 428529342 /nfs/dbraw/zinc/52/93/42/428529342.db2.gz NBUDIAZJPDGXGF-YJBOKZPZSA-N 2 1 319.497 2.980 20 0 DFADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c1OC(F)F ZINC000414965843 428474692 /nfs/dbraw/zinc/47/46/92/428474692.db2.gz WAOFLSZAAMUWNA-DGCLKSJQSA-N 2 1 314.376 2.774 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000360881809 428476731 /nfs/dbraw/zinc/47/67/31/428476731.db2.gz VTIXCDLOXOCMQM-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347166840 428477324 /nfs/dbraw/zinc/47/73/24/428477324.db2.gz LDUOQTRGUILTLO-SJPCQFCGSA-N 2 1 324.428 2.984 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000347165297 428478622 /nfs/dbraw/zinc/47/86/22/428478622.db2.gz JTPRQRGOYALBMC-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000347165297 428478629 /nfs/dbraw/zinc/47/86/29/428478629.db2.gz JTPRQRGOYALBMC-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414969131 428478695 /nfs/dbraw/zinc/47/86/95/428478695.db2.gz IZBWBDCBUGXXJY-HNNXBMFYSA-N 2 1 324.852 2.979 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](C[C@H](C)c1ccccc1)[C@H](C)CO ZINC000347445241 428580601 /nfs/dbraw/zinc/58/06/01/428580601.db2.gz JQOUEABMXKTRFL-JKSUJKDBSA-N 2 1 301.434 2.678 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H](C)c1ccccc1)[C@H](C)CO ZINC000347445241 428580608 /nfs/dbraw/zinc/58/06/08/428580608.db2.gz JQOUEABMXKTRFL-JKSUJKDBSA-N 2 1 301.434 2.678 20 0 DFADMP C[C@H](Cc1ccccc1)C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133499 428532641 /nfs/dbraw/zinc/53/26/41/428532641.db2.gz CLZUJQKDOKFWSO-QRQLOZEOSA-N 2 1 314.473 2.566 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC(C)C ZINC000415134763 428534917 /nfs/dbraw/zinc/53/49/17/428534917.db2.gz WDGVBSLFAXYQRA-GDBMZVCRSA-N 2 1 306.450 2.899 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1OC(C)C ZINC000415134763 428534921 /nfs/dbraw/zinc/53/49/21/428534921.db2.gz WDGVBSLFAXYQRA-GDBMZVCRSA-N 2 1 306.450 2.899 20 0 DFADMP CC[C@H]1CCC[C@@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000415136392 428535996 /nfs/dbraw/zinc/53/59/96/428535996.db2.gz HIGIRUIPYTXUKO-MLHJIOFPSA-N 2 1 306.494 2.903 20 0 DFADMP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000347316780 428541899 /nfs/dbraw/zinc/54/18/99/428541899.db2.gz MFRZZNZQDSDZRE-NXEWRWPSSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400349914 428544312 /nfs/dbraw/zinc/54/43/12/428544312.db2.gz MDZJGNRLVGRMSP-MNIJEXPFSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000400514515 428545436 /nfs/dbraw/zinc/54/54/36/428545436.db2.gz GCIRKPNSHMPPIB-FUHWJXTLSA-N 2 1 301.478 2.771 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@H]2CCOC2)cc1 ZINC000400616970 428548345 /nfs/dbraw/zinc/54/83/45/428548345.db2.gz JHMRQIXWUQUNIN-HTUJPFKRSA-N 2 1 300.446 2.523 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@H]2CCOC2)cc1 ZINC000400616970 428548350 /nfs/dbraw/zinc/54/83/50/428548350.db2.gz JHMRQIXWUQUNIN-HTUJPFKRSA-N 2 1 300.446 2.523 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400734282 428549256 /nfs/dbraw/zinc/54/92/56/428549256.db2.gz RIJBNGPKBJETCR-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353465821 428551712 /nfs/dbraw/zinc/55/17/12/428551712.db2.gz ZLDCRVUWTKJLMC-KSZLIROESA-N 2 1 318.461 2.674 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000357597069 428551913 /nfs/dbraw/zinc/55/19/13/428551913.db2.gz GCIWRLIZTFKUMR-UAGQMJEPSA-N 2 1 304.482 2.641 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347344770 428556633 /nfs/dbraw/zinc/55/66/33/428556633.db2.gz SFCXXGCSHIVOKJ-HZPDHXFCSA-N 2 1 317.458 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@@H](CO)C1 ZINC000347344770 428556636 /nfs/dbraw/zinc/55/66/36/428556636.db2.gz SFCXXGCSHIVOKJ-HZPDHXFCSA-N 2 1 317.458 2.692 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)N[C@H](c1ncc[nH]1)c1cccnc1 ZINC000353482840 428556831 /nfs/dbraw/zinc/55/68/31/428556831.db2.gz NISXXUPZNWNJDN-HOCLYGCPSA-N 2 1 301.438 2.604 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373386699 428562928 /nfs/dbraw/zinc/56/29/28/428562928.db2.gz IDFZIVWYMJEBQJ-IRXDYDNUSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373386699 428562932 /nfs/dbraw/zinc/56/29/32/428562932.db2.gz IDFZIVWYMJEBQJ-IRXDYDNUSA-N 2 1 310.445 2.897 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000357794083 428564183 /nfs/dbraw/zinc/56/41/83/428564183.db2.gz DXGBIANAXMKHFW-FPAYPSAMSA-N 2 1 304.478 2.546 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC000404326093 428564854 /nfs/dbraw/zinc/56/48/54/428564854.db2.gz VHVBCTWYEUJTLL-MWDXBVQZSA-N 2 1 317.477 2.624 20 0 DFADMP C[C@@H]1CN(C[C@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404334432 428565182 /nfs/dbraw/zinc/56/51/82/428565182.db2.gz BNYYXCOVGQISFU-VXNCWWDNSA-N 2 1 301.478 2.579 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]2CCC[C@H]2C1 ZINC000353499592 428568888 /nfs/dbraw/zinc/56/88/88/428568888.db2.gz VMCCUTKCNJBAJH-IBGZPJMESA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[N@@H+]2CCC[C@H]2C1 ZINC000353499592 428568895 /nfs/dbraw/zinc/56/88/95/428568895.db2.gz VMCCUTKCNJBAJH-IBGZPJMESA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[N@H+]2CCC[C@H]2C1 ZINC000353499592 428568899 /nfs/dbraw/zinc/56/88/99/428568899.db2.gz VMCCUTKCNJBAJH-IBGZPJMESA-N 2 1 315.505 2.925 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404372187 428569183 /nfs/dbraw/zinc/56/91/83/428569183.db2.gz JLDXWXJTMOWXEZ-DOTOQJQBSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000404372187 428569186 /nfs/dbraw/zinc/56/91/86/428569186.db2.gz JLDXWXJTMOWXEZ-DOTOQJQBSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1C ZINC000404403962 428569859 /nfs/dbraw/zinc/56/98/59/428569859.db2.gz TUPWRBRAXORZHA-WMLDXEAASA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1C ZINC000404403962 428569864 /nfs/dbraw/zinc/56/98/64/428569864.db2.gz TUPWRBRAXORZHA-WMLDXEAASA-N 2 1 303.450 2.691 20 0 DFADMP COCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353513125 428572055 /nfs/dbraw/zinc/57/20/55/428572055.db2.gz FBEQMRSVUYKSTK-IPMKNSEASA-N 2 1 317.477 2.707 20 0 DFADMP CCO[C@@H]1C[N@H+]([C@@H](C)c2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000405585827 428576896 /nfs/dbraw/zinc/57/68/96/428576896.db2.gz LFZZBWFOROOTHJ-NJZAAPMLSA-N 2 1 314.376 2.645 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000347436927 428577413 /nfs/dbraw/zinc/57/74/13/428577413.db2.gz KNQXOJPCJVLYGI-VQTJNVASSA-N 2 1 316.489 2.644 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000347436927 428577420 /nfs/dbraw/zinc/57/74/20/428577420.db2.gz KNQXOJPCJVLYGI-VQTJNVASSA-N 2 1 316.489 2.644 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000347436927 428577422 /nfs/dbraw/zinc/57/74/22/428577422.db2.gz KNQXOJPCJVLYGI-VQTJNVASSA-N 2 1 316.489 2.644 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC2 ZINC000358020984 428577772 /nfs/dbraw/zinc/57/77/72/428577772.db2.gz SNJKFADDLCNPPB-MUIFIZLQSA-N 2 1 304.482 2.640 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1-c1ccnn1C ZINC000353526030 428578680 /nfs/dbraw/zinc/57/86/80/428578680.db2.gz ZUXMAFMDKYRIQT-UHFFFAOYSA-N 2 1 300.450 2.861 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC2)n1 ZINC000353569338 428599754 /nfs/dbraw/zinc/59/97/54/428599754.db2.gz BXMQKHOOVIJZQZ-NFOMZHRRSA-N 2 1 308.470 2.977 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC2)n1 ZINC000353569338 428599759 /nfs/dbraw/zinc/59/97/59/428599759.db2.gz BXMQKHOOVIJZQZ-NFOMZHRRSA-N 2 1 308.470 2.977 20 0 DFADMP Cc1cc(N(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)nc(C)[nH+]1 ZINC000373556535 428605408 /nfs/dbraw/zinc/60/54/08/428605408.db2.gz LVKGIVLOXGKSRG-WMZOPIPTSA-N 2 1 311.433 2.618 20 0 DFADMP Cc1cc(N(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)nc(C)[nH+]1 ZINC000373556535 428605413 /nfs/dbraw/zinc/60/54/13/428605413.db2.gz LVKGIVLOXGKSRG-WMZOPIPTSA-N 2 1 311.433 2.618 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)OCCc3sccc32)[C@H](C)C1 ZINC000353608197 428619883 /nfs/dbraw/zinc/61/98/83/428619883.db2.gz HTUINUCRAFIOLQ-UKPHBRMFSA-N 2 1 308.491 2.856 20 0 DFADMP CC(C)c1nc(CN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)no1 ZINC000362105402 428623295 /nfs/dbraw/zinc/62/32/95/428623295.db2.gz HJQZJZHFOCLUFQ-CQSZACIVSA-N 2 1 318.465 2.889 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000353621054 428626089 /nfs/dbraw/zinc/62/60/89/428626089.db2.gz KOAXIXUBSJIGSY-GKLJAUDBSA-N 2 1 308.491 2.854 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CSCCc3ccccc32)CC1 ZINC000154875351 274026005 /nfs/dbraw/zinc/02/60/05/274026005.db2.gz FOBURCSBDKDTHU-SFHVURJKSA-N 2 1 320.502 2.717 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415975511 428639943 /nfs/dbraw/zinc/63/99/43/428639943.db2.gz UCBSREDIQLFIHY-KRWDZBQOSA-N 2 1 318.465 2.792 20 0 DFADMP C[N@@H+](CCNC1CC[NH+](CCC(F)(F)F)CC1)C1CCCC1 ZINC000358719043 428640742 /nfs/dbraw/zinc/64/07/42/428640742.db2.gz HWHMICYSCMAIBF-UHFFFAOYSA-N 2 1 321.431 2.867 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC000415987536 428642444 /nfs/dbraw/zinc/64/24/44/428642444.db2.gz YAXXYLQZRLMKLY-QGZVFWFLSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H]2CC[N@@H+](CC(C)C)C2)cc1 ZINC000415985686 428642676 /nfs/dbraw/zinc/64/26/76/428642676.db2.gz TYISGGLRWTYZOR-MRXNPFEDSA-N 2 1 318.465 2.505 20 0 DFADMP COCC[C@H](COC)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353642427 428635693 /nfs/dbraw/zinc/63/56/93/428635693.db2.gz LMRBAWNAFDSOHJ-YTQUADARSA-N 2 1 320.477 2.538 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000366213849 274129248 /nfs/dbraw/zinc/12/92/48/274129248.db2.gz ZKJRRTLRYFAXLE-MGBSGCIJSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000366213849 274129249 /nfs/dbraw/zinc/12/92/49/274129249.db2.gz ZKJRRTLRYFAXLE-MGBSGCIJSA-N 2 1 304.434 2.837 20 0 DFADMP CCc1cccc(F)c1C[N@@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000353664505 428647914 /nfs/dbraw/zinc/64/79/14/428647914.db2.gz XFHQSORHDSJEKJ-QGZVFWFLSA-N 2 1 319.468 2.600 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416015631 428647968 /nfs/dbraw/zinc/64/79/68/428647968.db2.gz UBLSUSCXLOANPV-ZDUSSCGKSA-N 2 1 304.438 2.532 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000374073984 428662134 /nfs/dbraw/zinc/66/21/34/428662134.db2.gz GRIJTWDQPGCXMW-KRWDZBQOSA-N 2 1 323.525 2.828 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1)C(C)C ZINC000374073985 428662469 /nfs/dbraw/zinc/66/24/69/428662469.db2.gz GRIJTWDQPGCXMW-QGZVFWFLSA-N 2 1 323.525 2.828 20 0 DFADMP CO[C@]1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOC1 ZINC000348223525 428662474 /nfs/dbraw/zinc/66/24/74/428662474.db2.gz SXKPVPZBBIICCU-KSSFIOAISA-N 2 1 315.417 2.637 20 0 DFADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262009294 274365789 /nfs/dbraw/zinc/36/57/89/274365789.db2.gz UWGFPNWQLXEDQT-IAGOWNOFSA-N 2 1 324.472 2.745 20 0 DFADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000262009294 274365792 /nfs/dbraw/zinc/36/57/92/274365792.db2.gz UWGFPNWQLXEDQT-IAGOWNOFSA-N 2 1 324.472 2.745 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000358288916 274394677 /nfs/dbraw/zinc/39/46/77/274394677.db2.gz PDKKRGGKBHZUMR-MNEFBYGVSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000358288916 274394678 /nfs/dbraw/zinc/39/46/78/274394678.db2.gz PDKKRGGKBHZUMR-MNEFBYGVSA-N 2 1 324.472 2.910 20 0 DFADMP OC[C@@]1(c2ccccc2)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000374555981 428696448 /nfs/dbraw/zinc/69/64/48/428696448.db2.gz ICMPBEDWWNBTQV-HXUWFJFHSA-N 2 1 316.489 2.889 20 0 DFADMP OC[C@@]1(c2ccccc2)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000374555981 428696453 /nfs/dbraw/zinc/69/64/53/428696453.db2.gz ICMPBEDWWNBTQV-HXUWFJFHSA-N 2 1 316.489 2.889 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000353755393 428698054 /nfs/dbraw/zinc/69/80/54/428698054.db2.gz ROZQTHMWRAUNCK-IUODEOHRSA-N 2 1 301.438 2.571 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000353755393 428698061 /nfs/dbraw/zinc/69/80/61/428698061.db2.gz ROZQTHMWRAUNCK-IUODEOHRSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000353755393 428698066 /nfs/dbraw/zinc/69/80/66/428698066.db2.gz ROZQTHMWRAUNCK-IUODEOHRSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000353755393 428698067 /nfs/dbraw/zinc/69/80/67/428698067.db2.gz ROZQTHMWRAUNCK-IUODEOHRSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000344767267 428704366 /nfs/dbraw/zinc/70/43/66/428704366.db2.gz HTVMJCMOLZSVIN-ROUUACIJSA-N 2 1 317.477 2.776 20 0 DFADMP Cc1cc(C)n(CC[NH+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000348316423 428705313 /nfs/dbraw/zinc/70/53/13/428705313.db2.gz KDRJQZIDHVWDHR-PMACEKPBSA-N 2 1 324.472 2.564 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cnn(CCOC)c1 ZINC000344772576 428705556 /nfs/dbraw/zinc/70/55/56/428705556.db2.gz NSDOLGXFGWSDCA-MSOLQXFVSA-N 2 1 322.497 2.520 20 0 DFADMP CCCCC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358873495 428713421 /nfs/dbraw/zinc/71/34/21/428713421.db2.gz OKWQBUATOYDNKY-IAGOWNOFSA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H](C)C[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358873443 428713470 /nfs/dbraw/zinc/71/34/70/428713470.db2.gz NWWFHXWDAYCFEI-ZACQAIPSSA-N 2 1 312.498 2.623 20 0 DFADMP CC[C@@H](C)C[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358873443 428713472 /nfs/dbraw/zinc/71/34/72/428713472.db2.gz NWWFHXWDAYCFEI-ZACQAIPSSA-N 2 1 312.498 2.623 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC1 ZINC000358915936 428730123 /nfs/dbraw/zinc/73/01/23/428730123.db2.gz QLKUWFSYPMRXQQ-GOSISDBHSA-N 2 1 310.445 2.934 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000353818353 428732712 /nfs/dbraw/zinc/73/27/12/428732712.db2.gz PAIZSIJVEOPQHD-OAQYLSRUSA-N 2 1 308.491 2.529 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCSC2)[C@H](C)C1 ZINC000348249789 428680274 /nfs/dbraw/zinc/68/02/74/428680274.db2.gz ZGWFPMMFJLOEFA-ZACQAIPSSA-N 2 1 314.539 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348258318 428682884 /nfs/dbraw/zinc/68/28/84/428682884.db2.gz AARYFQJTLCBBMX-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348258318 428682891 /nfs/dbraw/zinc/68/28/91/428682891.db2.gz AARYFQJTLCBBMX-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348258318 428682895 /nfs/dbraw/zinc/68/28/95/428682895.db2.gz AARYFQJTLCBBMX-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348258318 428682905 /nfs/dbraw/zinc/68/29/05/428682905.db2.gz AARYFQJTLCBBMX-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348258318 428682909 /nfs/dbraw/zinc/68/29/09/428682909.db2.gz AARYFQJTLCBBMX-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(CC(C)C)CC(C)C ZINC000348265445 428684638 /nfs/dbraw/zinc/68/46/38/428684638.db2.gz PLHXJGCYSONLNK-UHFFFAOYSA-N 2 1 322.497 2.654 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(CC(C)C)CC(C)C ZINC000348265445 428684643 /nfs/dbraw/zinc/68/46/43/428684643.db2.gz PLHXJGCYSONLNK-UHFFFAOYSA-N 2 1 322.497 2.654 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCCCn2cccn2)C1 ZINC000348264919 428685123 /nfs/dbraw/zinc/68/51/23/428685123.db2.gz BXEOIMNNQYYPAU-GOSISDBHSA-N 2 1 304.482 2.717 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCCCn2cccn2)C1 ZINC000348264919 428685127 /nfs/dbraw/zinc/68/51/27/428685127.db2.gz BXEOIMNNQYYPAU-GOSISDBHSA-N 2 1 304.482 2.717 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCCCn2cccn2)C1 ZINC000348264919 428685133 /nfs/dbraw/zinc/68/51/33/428685133.db2.gz BXEOIMNNQYYPAU-GOSISDBHSA-N 2 1 304.482 2.717 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000344636686 428686053 /nfs/dbraw/zinc/68/60/53/428686053.db2.gz VKRRWTHBCBXSEN-LRDDRELGSA-N 2 1 302.397 2.788 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@@H]1C ZINC000353750376 428692561 /nfs/dbraw/zinc/69/25/61/428692561.db2.gz NYSSLOXFKIHEOZ-DZGCQCFKSA-N 2 1 320.433 2.729 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@@H]1C ZINC000353750376 428692567 /nfs/dbraw/zinc/69/25/67/428692567.db2.gz NYSSLOXFKIHEOZ-DZGCQCFKSA-N 2 1 320.433 2.729 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@@H]1C ZINC000353750376 428692570 /nfs/dbraw/zinc/69/25/70/428692570.db2.gz NYSSLOXFKIHEOZ-DZGCQCFKSA-N 2 1 320.433 2.729 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@@H]1C ZINC000353750376 428692575 /nfs/dbraw/zinc/69/25/75/428692575.db2.gz NYSSLOXFKIHEOZ-DZGCQCFKSA-N 2 1 320.433 2.729 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000348290249 428694166 /nfs/dbraw/zinc/69/41/66/428694166.db2.gz BLYWYIICGVHTEJ-KGLIPLIRSA-N 2 1 319.371 2.749 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1[C@H](O)C(F)(F)F ZINC000348290249 428694171 /nfs/dbraw/zinc/69/41/71/428694171.db2.gz BLYWYIICGVHTEJ-KGLIPLIRSA-N 2 1 319.371 2.749 20 0 DFADMP CCn1nccc1CC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000374845947 428762448 /nfs/dbraw/zinc/76/24/48/428762448.db2.gz ORWZNMAILIUVJY-INIZCTEOSA-N 2 1 313.449 2.583 20 0 DFADMP CCn1nccc1CC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000374845947 428762453 /nfs/dbraw/zinc/76/24/53/428762453.db2.gz ORWZNMAILIUVJY-INIZCTEOSA-N 2 1 313.449 2.583 20 0 DFADMP CCCNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000411286893 428771277 /nfs/dbraw/zinc/77/12/77/428771277.db2.gz YGRKLJARFDILJZ-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000411286893 428771282 /nfs/dbraw/zinc/77/12/82/428771282.db2.gz YGRKLJARFDILJZ-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000411286893 428771286 /nfs/dbraw/zinc/77/12/86/428771286.db2.gz YGRKLJARFDILJZ-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000345146531 428773804 /nfs/dbraw/zinc/77/38/04/428773804.db2.gz BDSZDYLCEDOTPA-YOEHRIQHSA-N 2 1 306.450 2.566 20 0 DFADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000374906860 428780983 /nfs/dbraw/zinc/78/09/83/428780983.db2.gz CODANBJQBMIZQB-HRCADAONSA-N 2 1 300.512 2.607 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000353934198 428784114 /nfs/dbraw/zinc/78/41/14/428784114.db2.gz RZJRNWBBRSPXFF-UHFFFAOYSA-N 2 1 308.466 2.715 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCOC1 ZINC000119650618 274510343 /nfs/dbraw/zinc/51/03/43/274510343.db2.gz APCGEWLOTNVXQF-DOTOQJQBSA-N 2 1 320.452 2.847 20 0 DFADMP CC(C)C[C@@]1(CO)CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348436647 428744658 /nfs/dbraw/zinc/74/46/58/428744658.db2.gz MMSZSIJNKMDTPM-MRXNPFEDSA-N 2 1 311.495 2.578 20 0 DFADMP CC(C)C[C@@]1(CO)CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348436647 428744662 /nfs/dbraw/zinc/74/46/62/428744662.db2.gz MMSZSIJNKMDTPM-MRXNPFEDSA-N 2 1 311.495 2.578 20 0 DFADMP C[C@H](CC[NH+]1C[C@@H](C)OC[C@H]1C)CC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145828 428746793 /nfs/dbraw/zinc/74/67/93/428746793.db2.gz MGWQDQBCPPKQLN-PFJGLKMASA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1C[C@H](C)OC[C@@H]1C)CC[N@@H+]1C[C@@H](C)OC[C@H]1C ZINC000411145828 428746796 /nfs/dbraw/zinc/74/67/96/428746796.db2.gz MGWQDQBCPPKQLN-PFJGLKMASA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1C[C@H](C)OC[C@@H]1C)CC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000411145828 428746800 /nfs/dbraw/zinc/74/68/00/428746800.db2.gz MGWQDQBCPPKQLN-PFJGLKMASA-N 2 1 312.498 2.621 20 0 DFADMP NC(=O)[C@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411161862 428750523 /nfs/dbraw/zinc/75/05/23/428750523.db2.gz ZGDIYTHJOONFIU-GOSISDBHSA-N 2 1 315.461 2.512 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(F)nc1)CC2)C1CC1 ZINC000375298132 428845329 /nfs/dbraw/zinc/84/53/29/428845329.db2.gz SKILRXWGLSHGGC-HNNXBMFYSA-N 2 1 303.425 2.917 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000354078450 428849261 /nfs/dbraw/zinc/84/92/61/428849261.db2.gz RUXQOZIILCQUKZ-CQSZACIVSA-N 2 1 316.474 2.979 20 0 DFADMP Cc1ccn2c(CN3CC[C@@H](C[N@@H+](C)CC4CC4)C3)cnc2c1 ZINC000354076981 428850211 /nfs/dbraw/zinc/85/02/11/428850211.db2.gz BDRXKYXVLOHVRF-KRWDZBQOSA-N 2 1 312.461 2.806 20 0 DFADMP C[N@@H+](CCc1cncs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411432644 428796829 /nfs/dbraw/zinc/79/68/29/428796829.db2.gz WTGYKTRTRBVDAK-UHFFFAOYSA-N 2 1 316.474 2.929 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000345198833 428796926 /nfs/dbraw/zinc/79/69/26/428796926.db2.gz BGEHPKYAUZARKO-DLBZAZTESA-N 2 1 311.514 2.878 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411438919 428797678 /nfs/dbraw/zinc/79/76/78/428797678.db2.gz CYNYWVRFNRZODA-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(F)cc(F)c2)C1 ZINC000354083065 428852472 /nfs/dbraw/zinc/85/24/72/428852472.db2.gz MVOOJVROTQRJRM-QGZVFWFLSA-N 2 1 312.404 2.898 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cc1 ZINC000411474270 428803146 /nfs/dbraw/zinc/80/31/46/428803146.db2.gz KXJZGXJGPWUHSS-ZIAGYGMSSA-N 2 1 314.433 2.744 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc(F)cc(F)c2)C1 ZINC000354083065 428852475 /nfs/dbraw/zinc/85/24/75/428852475.db2.gz MVOOJVROTQRJRM-QGZVFWFLSA-N 2 1 312.404 2.898 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC(C)(C)[NH+](C)C ZINC000362806358 428806142 /nfs/dbraw/zinc/80/61/42/428806142.db2.gz NHHUAUPTOYIPCI-FUHWJXTLSA-N 2 1 303.494 2.827 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000353988445 428806800 /nfs/dbraw/zinc/80/68/00/428806800.db2.gz VUUAKZDULJKJTB-QGZVFWFLSA-N 2 1 302.466 2.514 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000353988445 428806809 /nfs/dbraw/zinc/80/68/09/428806809.db2.gz VUUAKZDULJKJTB-QGZVFWFLSA-N 2 1 302.466 2.514 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515675 428807960 /nfs/dbraw/zinc/80/79/60/428807960.db2.gz IGFCAYXGLBPHAQ-CABCVRRESA-N 2 1 310.482 2.961 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000353988859 428808117 /nfs/dbraw/zinc/80/81/17/428808117.db2.gz YHWMLOPSDHAVDZ-IXDOHACOSA-N 2 1 304.482 2.910 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000353988859 428808123 /nfs/dbraw/zinc/80/81/23/428808123.db2.gz YHWMLOPSDHAVDZ-IXDOHACOSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411510696 428809126 /nfs/dbraw/zinc/80/91/26/428809126.db2.gz GYSNMSQBHIFNFW-OPAMFIHVSA-N 2 1 322.518 2.871 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)cn2)[C@H](C)C1 ZINC000411551615 428817546 /nfs/dbraw/zinc/81/75/46/428817546.db2.gz NRJNQQQJYMNVAU-APWZRJJASA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)cn2)[C@H](C)C1 ZINC000411551615 428817550 /nfs/dbraw/zinc/81/75/50/428817550.db2.gz NRJNQQQJYMNVAU-APWZRJJASA-N 2 1 319.493 2.871 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)C[C@H]2CCC(C)(C)O2)[C@@H]1c1cccnc1 ZINC000411584685 428820457 /nfs/dbraw/zinc/82/04/57/428820457.db2.gz QVRZGPVXASKQRT-KSZLIROESA-N 2 1 317.477 2.964 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000359113293 428822512 /nfs/dbraw/zinc/82/25/12/428822512.db2.gz IKIIHHXBDIHNCR-AHRSYUTCSA-N 2 1 315.505 2.969 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCN(c3nccs3)CC2)CCCC1 ZINC000359113989 428822788 /nfs/dbraw/zinc/82/27/88/428822788.db2.gz JOXMXJQCESHRQR-UHFFFAOYSA-N 2 1 308.495 2.576 20 0 DFADMP Cc1cccc2ncc(C[N@@H+]3CCC[C@@H](Cc4nccn4C)C3)n21 ZINC000375210098 428823491 /nfs/dbraw/zinc/82/34/91/428823491.db2.gz XZKWUDMWOCTAPX-INIZCTEOSA-N 2 1 323.444 2.831 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354016572 428823622 /nfs/dbraw/zinc/82/36/22/428823622.db2.gz AGAANSBXGUDCLS-APWZRJJASA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354016572 428823624 /nfs/dbraw/zinc/82/36/24/428823624.db2.gz AGAANSBXGUDCLS-APWZRJJASA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H]2CCN(C)C[C@@H]21 ZINC000375229829 428826572 /nfs/dbraw/zinc/82/65/72/428826572.db2.gz POYJSAVQOQAWHL-APWZRJJASA-N 2 1 310.445 2.707 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000354025798 428828615 /nfs/dbraw/zinc/82/86/15/428828615.db2.gz JMROWVPDIBIMHL-UHFFFAOYSA-N 2 1 307.507 2.739 20 0 DFADMP CC[NH+](CC)CC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000354079991 428853330 /nfs/dbraw/zinc/85/33/30/428853330.db2.gz OAAFXMLJPSKLNN-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP CC(C)C(C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1)C(C)C ZINC000375273061 428839414 /nfs/dbraw/zinc/83/94/14/428839414.db2.gz WQWQNVCVNYWTKI-MJGOQNOKSA-N 2 1 309.542 2.872 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000354062588 428842122 /nfs/dbraw/zinc/84/21/22/428842122.db2.gz BFXUOMVIGJOLTR-QGZVFWFLSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417035485 428843037 /nfs/dbraw/zinc/84/30/37/428843037.db2.gz GUUNNNIUSZPPDZ-MRXNPFEDSA-N 2 1 324.513 2.602 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000354062337 428843169 /nfs/dbraw/zinc/84/31/69/428843169.db2.gz YSDGREUKEVKVLT-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000354096939 428860352 /nfs/dbraw/zinc/86/03/52/428860352.db2.gz MNFPEVKOEIVIPY-HNNXBMFYSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000354096939 428860358 /nfs/dbraw/zinc/86/03/58/428860358.db2.gz MNFPEVKOEIVIPY-HNNXBMFYSA-N 2 1 312.404 2.898 20 0 DFADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000354095190 428860672 /nfs/dbraw/zinc/86/06/72/428860672.db2.gz YXNLJOSJYZRIAX-FUHWJXTLSA-N 2 1 323.456 2.744 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000359222958 428872631 /nfs/dbraw/zinc/87/26/31/428872631.db2.gz ZBFIPFMPRDAYMP-LJQANCHMSA-N 2 1 301.478 2.977 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000359223937 428875676 /nfs/dbraw/zinc/87/56/76/428875676.db2.gz RHBUCAKNTXUZAQ-SFHVURJKSA-N 2 1 315.461 2.504 20 0 DFADMP CCC([NH3+])(CC)CNC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418140653 428888912 /nfs/dbraw/zinc/88/89/12/428888912.db2.gz JXCAREXFQKGREP-INIZCTEOSA-N 2 1 324.513 2.600 20 0 DFADMP C(C[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)C[NH+]1CCCCC1 ZINC000375466082 428892187 /nfs/dbraw/zinc/89/21/87/428892187.db2.gz RWYLMWLOSGGGNF-OAHLLOKOSA-N 2 1 304.438 2.612 20 0 DFADMP C(C[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1)C[NH+]1CCCCC1 ZINC000375466082 428892199 /nfs/dbraw/zinc/89/21/99/428892199.db2.gz RWYLMWLOSGGGNF-OAHLLOKOSA-N 2 1 304.438 2.612 20 0 DFADMP Cc1ccc(-c2n[nH]cc2CN2CC[C@]3(C2)CCC[N@H+](C)C3)o1 ZINC000354165813 428894170 /nfs/dbraw/zinc/89/41/70/428894170.db2.gz IHCKIHWKSXFGLS-GOSISDBHSA-N 2 1 314.433 2.896 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354167132 428895613 /nfs/dbraw/zinc/89/56/13/428895613.db2.gz OAHBIHAAAAKAKE-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354167132 428895616 /nfs/dbraw/zinc/89/56/16/428895616.db2.gz OAHBIHAAAAKAKE-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000354167132 428895618 /nfs/dbraw/zinc/89/56/18/428895618.db2.gz OAHBIHAAAAKAKE-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000354167132 428895624 /nfs/dbraw/zinc/89/56/24/428895624.db2.gz OAHBIHAAAAKAKE-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP c1ccc(-c2nc3ccccn3c2C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359288487 428903644 /nfs/dbraw/zinc/90/36/44/428903644.db2.gz ZDJOZRPAODSMTL-IAGOWNOFSA-N 2 1 318.424 2.653 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000349040484 428905701 /nfs/dbraw/zinc/90/57/01/428905701.db2.gz ASCNIEVQWVRNLQ-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000349040484 428905705 /nfs/dbraw/zinc/90/57/05/428905705.db2.gz ASCNIEVQWVRNLQ-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000349040484 428905708 /nfs/dbraw/zinc/90/57/08/428905708.db2.gz ASCNIEVQWVRNLQ-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000349080150 428914011 /nfs/dbraw/zinc/91/40/11/428914011.db2.gz SLEPTPVPGPLJER-SFHVURJKSA-N 2 1 307.457 2.674 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1C ZINC000349077820 428914773 /nfs/dbraw/zinc/91/47/73/428914773.db2.gz QGOHQIUYEAZZQS-LJQANCHMSA-N 2 1 303.494 2.843 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@H]2CCC[C@@H]21 ZINC000375788565 428971046 /nfs/dbraw/zinc/97/10/46/428971046.db2.gz JAYQVJDCYSWUNS-RDBSUJKOSA-N 2 1 311.376 2.645 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[NH+]1CCCCCC1 ZINC000359315983 428915326 /nfs/dbraw/zinc/91/53/26/428915326.db2.gz FMQQTVMQXDZFBT-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP O=C(Nc1ccccc1)c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000359315140 428915514 /nfs/dbraw/zinc/91/55/14/428915514.db2.gz VRQBAEDHVOOKLW-QZTJIDSGSA-N 2 1 321.424 2.590 20 0 DFADMP C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423549630 428971156 /nfs/dbraw/zinc/97/11/56/428971156.db2.gz HXFDMMSVDPBEDK-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000363451478 428919132 /nfs/dbraw/zinc/91/91/32/428919132.db2.gz ZDDNZNASLIVGMH-HZPDHXFCSA-N 2 1 320.481 2.899 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000363451478 428919137 /nfs/dbraw/zinc/91/91/37/428919137.db2.gz ZDDNZNASLIVGMH-HZPDHXFCSA-N 2 1 320.481 2.899 20 0 DFADMP COc1ccc([C@H](O)[C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000363458698 428919457 /nfs/dbraw/zinc/91/94/57/428919457.db2.gz ACZWXJRZPHURQK-OALUTQOASA-N 2 1 318.461 2.679 20 0 DFADMP CCc1nccc([C@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000363459688 428920038 /nfs/dbraw/zinc/92/00/38/428920038.db2.gz QDPBZSKOGXZIAO-INIZCTEOSA-N 2 1 313.449 2.814 20 0 DFADMP CCc1nccc([C@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000363459688 428920043 /nfs/dbraw/zinc/92/00/43/428920043.db2.gz QDPBZSKOGXZIAO-INIZCTEOSA-N 2 1 313.449 2.814 20 0 DFADMP Cn1c(Cl)cnc1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363459893 428921160 /nfs/dbraw/zinc/92/11/60/428921160.db2.gz TTYYJVGTHBIGAA-UHFFFAOYSA-N 2 1 319.840 2.569 20 0 DFADMP Cn1c(Cl)cnc1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363459893 428921165 /nfs/dbraw/zinc/92/11/65/428921165.db2.gz TTYYJVGTHBIGAA-UHFFFAOYSA-N 2 1 319.840 2.569 20 0 DFADMP Cc1nc(C)n([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000363459059 428921512 /nfs/dbraw/zinc/92/15/12/428921512.db2.gz GILDEHZJAKBROG-KRWDZBQOSA-N 2 1 316.453 2.517 20 0 DFADMP Cc1nc(C)n([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000363459059 428921515 /nfs/dbraw/zinc/92/15/15/428921515.db2.gz GILDEHZJAKBROG-KRWDZBQOSA-N 2 1 316.453 2.517 20 0 DFADMP Cc1nc([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000363471052 428922881 /nfs/dbraw/zinc/92/28/81/428922881.db2.gz ORDGFXKSUVXTPC-HNNXBMFYSA-N 2 1 303.410 2.543 20 0 DFADMP Cc1nc([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000363471052 428922886 /nfs/dbraw/zinc/92/28/86/428922886.db2.gz ORDGFXKSUVXTPC-HNNXBMFYSA-N 2 1 303.410 2.543 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549125 428971298 /nfs/dbraw/zinc/97/12/98/428971298.db2.gz HJPXQJXZVUXWQX-XLIONFOSSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549125 428971306 /nfs/dbraw/zinc/97/13/06/428971306.db2.gz HJPXQJXZVUXWQX-XLIONFOSSA-N 3 1 313.489 2.796 20 0 DFADMP Cc1nc([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000363471053 428923488 /nfs/dbraw/zinc/92/34/88/428923488.db2.gz ORDGFXKSUVXTPC-OAHLLOKOSA-N 2 1 303.410 2.543 20 0 DFADMP Cc1nc([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000363471053 428923494 /nfs/dbraw/zinc/92/34/94/428923494.db2.gz ORDGFXKSUVXTPC-OAHLLOKOSA-N 2 1 303.410 2.543 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000359332257 428924770 /nfs/dbraw/zinc/92/47/70/428924770.db2.gz REDHRYVQIQTCDT-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000349142043 428925676 /nfs/dbraw/zinc/92/56/76/428925676.db2.gz HBOJKJYFAWNAJN-HOTGVXAUSA-N 2 1 321.465 2.653 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354226038 428928524 /nfs/dbraw/zinc/92/85/24/428928524.db2.gz USAULQZTHGLQFH-YOEHRIQHSA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354226038 428928527 /nfs/dbraw/zinc/92/85/27/428928527.db2.gz USAULQZTHGLQFH-YOEHRIQHSA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354226038 428928536 /nfs/dbraw/zinc/92/85/36/428928536.db2.gz USAULQZTHGLQFH-YOEHRIQHSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354226038 428928542 /nfs/dbraw/zinc/92/85/42/428928542.db2.gz USAULQZTHGLQFH-YOEHRIQHSA-N 2 1 304.434 2.778 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H](O)CCC(C)C)C2)c1 ZINC000375638896 428930321 /nfs/dbraw/zinc/93/03/21/428930321.db2.gz KRDJBNVJPOGOHG-DLBZAZTESA-N 2 1 305.466 2.921 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H](O)CCC(C)C)C2)c1 ZINC000375638896 428930326 /nfs/dbraw/zinc/93/03/26/428930326.db2.gz KRDJBNVJPOGOHG-DLBZAZTESA-N 2 1 305.466 2.921 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000354226517 428930865 /nfs/dbraw/zinc/93/08/65/428930865.db2.gz WMRKMAUXOMWADO-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000354226517 428930869 /nfs/dbraw/zinc/93/08/69/428930869.db2.gz WMRKMAUXOMWADO-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000354226517 428930873 /nfs/dbraw/zinc/93/08/73/428930873.db2.gz WMRKMAUXOMWADO-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCN1C ZINC000363504372 428932932 /nfs/dbraw/zinc/93/29/32/428932932.db2.gz PRVJJAQOSNGXBB-ROUUACIJSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1ccccc1NC(=O)CCN1CCC[C@H]1[C@@H]1CCC[N@H+]1C ZINC000363504372 428932938 /nfs/dbraw/zinc/93/29/38/428932938.db2.gz PRVJJAQOSNGXBB-ROUUACIJSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1ccccc1NC(=O)CCN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000363504372 428932943 /nfs/dbraw/zinc/93/29/43/428932943.db2.gz PRVJJAQOSNGXBB-ROUUACIJSA-N 2 1 315.461 2.882 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349191188 428936854 /nfs/dbraw/zinc/93/68/54/428936854.db2.gz NWLUZLBYBXUICV-SFHVURJKSA-N 2 1 316.493 2.701 20 0 DFADMP COC(=O)[C@@H](C)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375673339 428937360 /nfs/dbraw/zinc/93/73/60/428937360.db2.gz FPODCWWEHKMPFV-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375673339 428937362 /nfs/dbraw/zinc/93/73/62/428937362.db2.gz FPODCWWEHKMPFV-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375673339 428937365 /nfs/dbraw/zinc/93/73/65/428937365.db2.gz FPODCWWEHKMPFV-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccccc1 ZINC000375677905 428940357 /nfs/dbraw/zinc/94/03/57/428940357.db2.gz IYGWGNPXWIUHMB-IEBWSBKVSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375677905 428940360 /nfs/dbraw/zinc/94/03/60/428940360.db2.gz IYGWGNPXWIUHMB-IEBWSBKVSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375677905 428940369 /nfs/dbraw/zinc/94/03/69/428940369.db2.gz IYGWGNPXWIUHMB-IEBWSBKVSA-N 2 1 317.477 2.526 20 0 DFADMP COC(=O)[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000375673438 428940490 /nfs/dbraw/zinc/94/04/90/428940490.db2.gz PZRAWLLGEALLSO-VXGBXAGGSA-N 2 1 319.380 2.780 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000345567702 428940537 /nfs/dbraw/zinc/94/05/37/428940537.db2.gz KPSZCVGXQKJJHD-OAHLLOKOSA-N 2 1 320.481 2.585 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000363616737 428955663 /nfs/dbraw/zinc/95/56/63/428955663.db2.gz OAMOASINSUXJAZ-IRXDYDNUSA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363616737 428955667 /nfs/dbraw/zinc/95/56/67/428955667.db2.gz OAMOASINSUXJAZ-IRXDYDNUSA-N 2 1 314.408 2.932 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C2CCOCC2)[C@H](C)C1 ZINC000354331230 428972117 /nfs/dbraw/zinc/97/21/17/428972117.db2.gz CDQCPFAYHCQYSO-NUJGCVRESA-N 2 1 312.498 2.528 20 0 DFADMP O[C@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000349296324 428956258 /nfs/dbraw/zinc/95/62/58/428956258.db2.gz LTLMLAYVLAFYSZ-OAHLLOKOSA-N 2 1 316.367 2.554 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549126 428972219 /nfs/dbraw/zinc/97/22/19/428972219.db2.gz HJPXQJXZVUXWQX-YLJYHZDGSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549126 428972224 /nfs/dbraw/zinc/97/22/24/428972224.db2.gz HJPXQJXZVUXWQX-YLJYHZDGSA-N 3 1 313.489 2.796 20 0 DFADMP Cn1nccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375760120 428963372 /nfs/dbraw/zinc/96/33/72/428963372.db2.gz FGSBYPSYAMTLHN-IBGZPJMESA-N 2 1 310.445 2.518 20 0 DFADMP CC[C@@H]1C[C@@H](C)CC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354311157 428963910 /nfs/dbraw/zinc/96/39/10/428963910.db2.gz JJJVEPCXEXVDMA-LZLYRXPVSA-N 2 1 323.525 2.734 20 0 DFADMP CN(C[C@H](O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375765434 428966575 /nfs/dbraw/zinc/96/65/75/428966575.db2.gz VTGCRJHMPGGQGC-WFVVYAPDSA-N 2 1 308.853 2.930 20 0 DFADMP C[N@H+](C[C@H](O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765434 428966579 /nfs/dbraw/zinc/96/65/79/428966579.db2.gz VTGCRJHMPGGQGC-WFVVYAPDSA-N 2 1 308.853 2.930 20 0 DFADMP C[N@@H+](C[C@H](O)c1cccc(Cl)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375765434 428966583 /nfs/dbraw/zinc/96/65/83/428966583.db2.gz VTGCRJHMPGGQGC-WFVVYAPDSA-N 2 1 308.853 2.930 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423538444 428967542 /nfs/dbraw/zinc/96/75/42/428967542.db2.gz MVZXFFOWDOWGFX-XLIONFOSSA-N 3 1 313.489 2.939 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423538444 428967549 /nfs/dbraw/zinc/96/75/49/428967549.db2.gz MVZXFFOWDOWGFX-XLIONFOSSA-N 3 1 313.489 2.939 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000375769155 428968477 /nfs/dbraw/zinc/96/84/77/428968477.db2.gz PNGQQEIMNDPKSC-SJLPKXTDSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000375769155 428968482 /nfs/dbraw/zinc/96/84/82/428968482.db2.gz PNGQQEIMNDPKSC-SJLPKXTDSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000375769153 428969429 /nfs/dbraw/zinc/96/94/29/428969429.db2.gz PNGQQEIMNDPKSC-FUHWJXTLSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000375769153 428969433 /nfs/dbraw/zinc/96/94/33/428969433.db2.gz PNGQQEIMNDPKSC-FUHWJXTLSA-N 2 1 312.461 2.729 20 0 DFADMP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423536335 428969373 /nfs/dbraw/zinc/96/93/73/428969373.db2.gz HITYBKZDDATUMD-PXNSSMCTSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423536335 428969379 /nfs/dbraw/zinc/96/93/79/428969379.db2.gz HITYBKZDDATUMD-PXNSSMCTSA-N 2 1 313.489 2.796 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@H]2CCC[C@@H]21 ZINC000375788245 428970940 /nfs/dbraw/zinc/97/09/40/428970940.db2.gz IPLJFRWRMOLJCR-IKGGRYGDSA-N 2 1 316.445 2.810 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451934743 429021932 /nfs/dbraw/zinc/02/19/32/429021932.db2.gz DQNSIPKOZTYCOK-SFHVURJKSA-N 2 1 302.462 2.852 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000423797564 429022306 /nfs/dbraw/zinc/02/23/06/429022306.db2.gz HXVLVSPADVOSPO-NXHRZFHOSA-N 2 1 317.477 2.559 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CCCC1 ZINC000433343970 429025273 /nfs/dbraw/zinc/02/52/73/429025273.db2.gz PTXQJDSQTOIDIP-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC000433343970 429025279 /nfs/dbraw/zinc/02/52/79/429025279.db2.gz PTXQJDSQTOIDIP-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC000433343970 429025283 /nfs/dbraw/zinc/02/52/83/429025283.db2.gz PTXQJDSQTOIDIP-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CCN(CCC[NH+]1CCC([NH2+]C(C)C)CC1)CC(F)(F)F ZINC000355088603 429026568 /nfs/dbraw/zinc/02/65/68/429026568.db2.gz PJNGSLULVAKJGV-UHFFFAOYSA-N 2 1 309.420 2.723 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000423817264 429028359 /nfs/dbraw/zinc/02/83/59/429028359.db2.gz BJFSIZQIUKFOOF-PKOBYXMFSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000423817264 429028363 /nfs/dbraw/zinc/02/83/63/429028363.db2.gz BJFSIZQIUKFOOF-PKOBYXMFSA-N 2 1 317.477 2.627 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000433359695 429028595 /nfs/dbraw/zinc/02/85/95/429028595.db2.gz CWFAXQRUFSYDMT-NXHRZFHOSA-N 2 1 321.509 2.773 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cc2c(c(OC)c1)OCO2 ZINC000349424194 428983519 /nfs/dbraw/zinc/98/35/19/428983519.db2.gz ZZFSSINIHPWLFC-UHFFFAOYSA-N 2 1 322.449 2.978 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cc2c(c(OC)c1)OCO2 ZINC000349424194 428983525 /nfs/dbraw/zinc/98/35/25/428983525.db2.gz ZZFSSINIHPWLFC-UHFFFAOYSA-N 2 1 322.449 2.978 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccc(O)c1 ZINC000363781134 428990518 /nfs/dbraw/zinc/99/05/18/428990518.db2.gz HZTDZANCPLEEHH-ILRDRHFLSA-N 2 1 318.461 2.932 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccc(O)c1 ZINC000363781134 428990521 /nfs/dbraw/zinc/99/05/21/428990521.db2.gz HZTDZANCPLEEHH-ILRDRHFLSA-N 2 1 318.461 2.932 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(SC)CCC2)[C@H](C)C1 ZINC000433093683 428993196 /nfs/dbraw/zinc/99/31/96/428993196.db2.gz RQIDGWDTUBUWCS-CVEARBPZSA-N 2 1 314.539 2.999 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000375845976 428996048 /nfs/dbraw/zinc/99/60/48/428996048.db2.gz ZRKULJPJAZXBFQ-QRQLOZEOSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000375845976 428996053 /nfs/dbraw/zinc/99/60/53/428996053.db2.gz ZRKULJPJAZXBFQ-QRQLOZEOSA-N 2 1 324.472 2.698 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000375888010 429008670 /nfs/dbraw/zinc/00/86/70/429008670.db2.gz FJILGLKWHYLUJR-APWZRJJASA-N 2 1 319.468 2.987 20 0 DFADMP C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000423763489 429010531 /nfs/dbraw/zinc/01/05/31/429010531.db2.gz RPDLTSDYLGMRCP-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000375903729 429013432 /nfs/dbraw/zinc/01/34/32/429013432.db2.gz IVUAGVPDSFWFIT-APWZRJJASA-N 2 1 319.468 2.987 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423446157 429089353 /nfs/dbraw/zinc/08/93/53/429089353.db2.gz SNSXDXSYYWFNBX-LSDHHAIUSA-N 2 1 303.450 2.510 20 0 DFADMP Clc1ccc([C@H](Cc2cccnc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423443241 429089741 /nfs/dbraw/zinc/08/97/41/429089741.db2.gz VOTJTMXUPCURCB-XWTMOSNGSA-N 2 1 313.832 2.826 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cnn1C(C)C ZINC000423473026 429093123 /nfs/dbraw/zinc/09/31/23/429093123.db2.gz IHDCEXAZASUSJM-YPMHNXCESA-N 2 1 300.397 2.668 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423847316 429035987 /nfs/dbraw/zinc/03/59/87/429035987.db2.gz PZQOQFPVSBJWPU-SZVBFZGTSA-N 2 1 317.477 2.531 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423482213 429096796 /nfs/dbraw/zinc/09/67/96/429096796.db2.gz XHVACXGLADYJKB-ONGXEEELSA-N 2 1 301.228 2.846 20 0 DFADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423283333 429055681 /nfs/dbraw/zinc/05/56/81/429055681.db2.gz XATNFWNPTLTRIG-PBHICJAKSA-N 2 1 316.449 2.633 20 0 DFADMP C[NH2+]C[C@@H](C)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423281629 429055952 /nfs/dbraw/zinc/05/59/52/429055952.db2.gz VVUIAZLDVQOQFQ-OWYHZJEWSA-N 2 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423281629 429055954 /nfs/dbraw/zinc/05/59/54/429055954.db2.gz VVUIAZLDVQOQFQ-OWYHZJEWSA-N 3 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423281629 429055959 /nfs/dbraw/zinc/05/59/59/429055959.db2.gz VVUIAZLDVQOQFQ-OWYHZJEWSA-N 3 1 301.478 2.627 20 0 DFADMP Cn1c2ccccc2nc1CC[NH2+]C(C)(C)C[NH+]1CCCC1 ZINC000452096197 429056867 /nfs/dbraw/zinc/05/68/67/429056867.db2.gz NJQPDSDODWUYOO-UHFFFAOYSA-N 2 1 300.450 2.580 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423293712 429057494 /nfs/dbraw/zinc/05/74/94/429057494.db2.gz AOQNWJSDKGPHAS-QZTJIDSGSA-N 2 1 315.465 2.825 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CN)C2CC2)CC1 ZINC000423285196 429057694 /nfs/dbraw/zinc/05/76/94/429057694.db2.gz XYVHDWDEMRVBJW-CTWPCTMYSA-N 2 1 301.478 2.757 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000423285196 429057696 /nfs/dbraw/zinc/05/76/96/429057696.db2.gz XYVHDWDEMRVBJW-CTWPCTMYSA-N 3 1 301.478 2.757 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](C[NH3+])C2CC2)CC1 ZINC000423285196 429057702 /nfs/dbraw/zinc/05/77/02/429057702.db2.gz XYVHDWDEMRVBJW-CTWPCTMYSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423309588 429059661 /nfs/dbraw/zinc/05/96/61/429059661.db2.gz QGVOFFCCGMCCCI-HNAYVOBHSA-N 2 1 323.440 2.711 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423303443 429061491 /nfs/dbraw/zinc/06/14/91/429061491.db2.gz LODFVJHFLRMHNH-LWYYNNOASA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423318638 429062260 /nfs/dbraw/zinc/06/22/60/429062260.db2.gz CRKKXADVAJOQEW-IXDOHACOSA-N 2 1 323.525 2.639 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423318588 429062862 /nfs/dbraw/zinc/06/28/62/429062862.db2.gz CNUQTLQNVXWLAG-RDJZCZTQSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423326425 429065062 /nfs/dbraw/zinc/06/50/62/429065062.db2.gz KMTGYDMHCKIJIV-VQIMIIECSA-N 2 1 319.493 2.667 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1NC(C)=O ZINC000423341032 429067846 /nfs/dbraw/zinc/06/78/46/429067846.db2.gz WJPAXOMHGMXAND-FZKQIMNGSA-N 2 1 319.449 2.694 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc1 ZINC000423335067 429068376 /nfs/dbraw/zinc/06/83/76/429068376.db2.gz TXRUFKSOQUDGII-ILXRZTDVSA-N 2 1 303.450 2.699 20 0 DFADMP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000423337421 429068410 /nfs/dbraw/zinc/06/84/10/429068410.db2.gz VNZXTSQCRMOQMB-IPMKNSEASA-N 2 1 313.489 2.758 20 0 DFADMP [NH3+]C1(CN[C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000423337419 429068461 /nfs/dbraw/zinc/06/84/61/429068461.db2.gz VNZXTSQCRMOQMB-GBESFXJTSA-N 2 1 313.489 2.758 20 0 DFADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[C@@H](C)[NH3+] ZINC000423337671 429068479 /nfs/dbraw/zinc/06/84/79/429068479.db2.gz RGUAQQZCGIKAMO-CRAIPNDOSA-N 2 1 319.493 2.762 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423485871 429097131 /nfs/dbraw/zinc/09/71/31/429097131.db2.gz RZBWLGRFPVWTLJ-FHWLQOOXSA-N 3 1 301.478 2.944 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423485871 429097134 /nfs/dbraw/zinc/09/71/34/429097134.db2.gz RZBWLGRFPVWTLJ-FHWLQOOXSA-N 3 1 301.478 2.944 20 0 DFADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000423343727 429069230 /nfs/dbraw/zinc/06/92/30/429069230.db2.gz XDKJXSABGZSVPN-INMHGKMJSA-N 2 1 309.498 2.521 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@@H](C)[NH3+] ZINC000423341373 429069266 /nfs/dbraw/zinc/06/92/66/429069266.db2.gz CKHWZVZRWHKDDN-AEFFLSMTSA-N 2 1 323.525 2.720 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)C1 ZINC000423341360 429069360 /nfs/dbraw/zinc/06/93/60/429069360.db2.gz UFSFLZBROHOUDQ-RDTXWAMCSA-N 2 1 315.461 2.984 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423352667 429071192 /nfs/dbraw/zinc/07/11/92/429071192.db2.gz AEEFBIAKMZOJGV-KFNAQCHYSA-N 2 1 323.278 2.894 20 0 DFADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000376180485 429071631 /nfs/dbraw/zinc/07/16/31/429071631.db2.gz HFROMRCSALMKAP-BRWVUGGUSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423352666 429073013 /nfs/dbraw/zinc/07/30/13/429073013.db2.gz AEEFBIAKMZOJGV-FFSVYQOJSA-N 2 1 323.278 2.894 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)c(C)c1OC ZINC000423370076 429074578 /nfs/dbraw/zinc/07/45/78/429074578.db2.gz UBUATPMEROMFKM-DVOMOZLQSA-N 2 1 306.450 2.531 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCCOC1 ZINC000423369278 429075022 /nfs/dbraw/zinc/07/50/22/429075022.db2.gz OASCIALIURPWCI-KDQZPGIASA-N 2 1 324.415 2.815 20 0 DFADMP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000434183431 429076440 /nfs/dbraw/zinc/07/64/40/429076440.db2.gz NHKLKGBBSGAJMY-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000434183431 429076444 /nfs/dbraw/zinc/07/64/44/429076444.db2.gz NHKLKGBBSGAJMY-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000434183431 429076446 /nfs/dbraw/zinc/07/64/46/429076446.db2.gz NHKLKGBBSGAJMY-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000423406858 429082333 /nfs/dbraw/zinc/08/23/33/429082333.db2.gz VEHFAOSPPYEJIH-FHSNZYRGSA-N 2 1 316.424 2.968 20 0 DFADMP COC[C@@]1(C[NH2+][C@@H](C)CCc2c(F)cccc2F)CCC[NH2+]1 ZINC000423415688 429085029 /nfs/dbraw/zinc/08/50/29/429085029.db2.gz PEZXVVAZBBVEBI-GUYCJALGSA-N 2 1 312.404 2.644 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000423424634 429085692 /nfs/dbraw/zinc/08/56/92/429085692.db2.gz NGURVHAGXQIFHM-DJIMGWMZSA-N 2 1 317.477 2.654 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+]1CCCCC1 ZINC000434443451 429087001 /nfs/dbraw/zinc/08/70/01/429087001.db2.gz YUZGSBKPJGZKBZ-ZWKOTPCHSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000423434555 429087582 /nfs/dbraw/zinc/08/75/82/429087582.db2.gz ODNAUPVQPYXCMJ-GOEBONIOSA-N 2 1 315.461 2.510 20 0 DFADMP COCCCCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000435616816 429153222 /nfs/dbraw/zinc/15/32/22/429153222.db2.gz LOJORGOXWOHSMK-GOSISDBHSA-N 2 1 305.466 2.842 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000363998109 429155190 /nfs/dbraw/zinc/15/51/90/429155190.db2.gz KGDLUQBWBCLXRJ-HNNXBMFYSA-N 2 1 310.445 2.546 20 0 DFADMP CC[N@@H+](CCC(=O)Nc1cccc(F)c1C)[C@@H]1CCC[NH2+]CC1 ZINC000435626833 429155307 /nfs/dbraw/zinc/15/53/07/429155307.db2.gz LOIBDZNWGQONMH-OAHLLOKOSA-N 2 1 321.440 2.927 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000424139052 429098431 /nfs/dbraw/zinc/09/84/31/429098431.db2.gz DVAPAQPXHNYHTQ-HYVNUMGLSA-N 2 1 309.498 2.663 20 0 DFADMP C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423498008 429098596 /nfs/dbraw/zinc/09/85/96/429098596.db2.gz AVXBAGJOBPCBOA-KXBFYZLASA-N 2 1 319.493 2.795 20 0 DFADMP c1ccc(C[N@H+](CCc2cccnc2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000435628323 429156342 /nfs/dbraw/zinc/15/63/42/429156342.db2.gz QJHIYQMWEYXVHQ-IBGZPJMESA-N 2 1 310.445 2.663 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C2 ZINC000423506458 429100370 /nfs/dbraw/zinc/10/03/70/429100370.db2.gz HUDRGLHBTGVUFH-YZGWKJHDSA-N 2 1 322.452 2.898 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505803 429101018 /nfs/dbraw/zinc/10/10/18/429101018.db2.gz HISVHPZQUXAOHP-KXBFYZLASA-N 3 1 319.493 2.795 20 0 DFADMP C[C@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505803 429101024 /nfs/dbraw/zinc/10/10/24/429101024.db2.gz HISVHPZQUXAOHP-KXBFYZLASA-N 2 1 319.493 2.795 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423499464 429101312 /nfs/dbraw/zinc/10/13/12/429101312.db2.gz AYVUCJXCTUGSGP-FAEJEUNOSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC1 ZINC000423503273 429101660 /nfs/dbraw/zinc/10/16/60/429101660.db2.gz KIKMGCKFMKNSBU-POAQFYNOSA-N 2 1 315.505 2.799 20 0 DFADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424164437 429103138 /nfs/dbraw/zinc/10/31/38/429103138.db2.gz CIBXWYGHFXBMRU-INIZCTEOSA-N 2 1 309.498 2.617 20 0 DFADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)[C@@H]2C1 ZINC000424175345 429104262 /nfs/dbraw/zinc/10/42/62/429104262.db2.gz PRPFQPYAWFDBLO-KZNAEPCWSA-N 2 1 321.509 2.617 20 0 DFADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCCOC3)CC2)n2c1CCCC2 ZINC000434683774 429104710 /nfs/dbraw/zinc/10/47/10/429104710.db2.gz IEOMQYIDPOIVKJ-HNNXBMFYSA-N 2 1 303.450 2.825 20 0 DFADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@H]([NH3+])CC3CCCCC3)[C@H]2C1 ZINC000424175346 429105471 /nfs/dbraw/zinc/10/54/71/429105471.db2.gz PRPFQPYAWFDBLO-SQNIBIBYSA-N 2 1 321.509 2.617 20 0 DFADMP FC(F)C1CCC([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)CC1 ZINC000423515290 429106111 /nfs/dbraw/zinc/10/61/11/429106111.db2.gz VAOYBXOGHFWZJW-UHFFFAOYSA-N 2 1 315.452 2.616 20 0 DFADMP CCn1cc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cn1 ZINC000423520695 429106317 /nfs/dbraw/zinc/10/63/17/429106317.db2.gz FPXWOIXSNZPCJP-HKUAFEEUSA-N 2 1 302.466 2.707 20 0 DFADMP c1cc2c(s1)CCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423520206 429106741 /nfs/dbraw/zinc/10/67/41/429106741.db2.gz QZZQUUDRNGIYER-VMBOVVBDSA-N 2 1 319.518 2.932 20 0 DFADMP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423525799 429108172 /nfs/dbraw/zinc/10/81/72/429108172.db2.gz YQDNJCXOWMCHDE-CTWPCTMYSA-N 2 1 301.478 2.944 20 0 DFADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000423525657 429108346 /nfs/dbraw/zinc/10/83/46/429108346.db2.gz KUKCJPIUTYDLDW-LTFPLMDUSA-N 2 1 314.473 2.927 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(F)c1F ZINC000423522306 429108694 /nfs/dbraw/zinc/10/86/94/429108694.db2.gz UPMQQEZWWBCVDM-WLYUNCDWSA-N 2 1 323.431 2.832 20 0 DFADMP COc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423535019 429111608 /nfs/dbraw/zinc/11/16/08/429111608.db2.gz XASJBETYPUVRKK-CZUORRHYSA-N 2 1 319.449 2.519 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C ZINC000424275360 429117447 /nfs/dbraw/zinc/11/74/47/429117447.db2.gz AUOJYSTYIKPAGT-KYJSFNMBSA-N 2 1 307.457 2.673 20 0 DFADMP c1coc(-c2ncc(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)s2)c1 ZINC000376472863 429118697 /nfs/dbraw/zinc/11/86/97/429118697.db2.gz QPTHQDMVSXVUBO-LLVKDONJSA-N 2 1 300.387 2.704 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cncc(Br)c1)CC[NH2+]CC2 ZINC000424286699 429120223 /nfs/dbraw/zinc/12/02/23/429120223.db2.gz HWHVVUKADOABFQ-LBPRGKRZSA-N 2 1 324.266 2.808 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CCc1ccc3c(c1)CCO3)CC[NH2+]CC2 ZINC000424291229 429121603 /nfs/dbraw/zinc/12/16/03/429121603.db2.gz NGUOKKUWUCOCQE-OAHLLOKOSA-N 2 1 300.446 2.628 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435133081 429125752 /nfs/dbraw/zinc/12/57/52/429125752.db2.gz OPJNEQSVXVDHLU-CQSZACIVSA-N 2 1 302.422 2.833 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435133081 429125754 /nfs/dbraw/zinc/12/57/54/429125754.db2.gz OPJNEQSVXVDHLU-CQSZACIVSA-N 2 1 302.422 2.833 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435133081 429125756 /nfs/dbraw/zinc/12/57/56/429125756.db2.gz OPJNEQSVXVDHLU-CQSZACIVSA-N 2 1 302.422 2.833 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435133081 429125758 /nfs/dbraw/zinc/12/57/58/429125758.db2.gz OPJNEQSVXVDHLU-CQSZACIVSA-N 2 1 302.422 2.833 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000376515810 429126434 /nfs/dbraw/zinc/12/64/34/429126434.db2.gz VAZSEXKSHDRGKH-INIZCTEOSA-N 2 1 310.482 2.774 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1NC(C)=O ZINC000424370163 429130845 /nfs/dbraw/zinc/13/08/45/429130845.db2.gz DEWXROFFTQGICW-NILFDRSVSA-N 2 1 305.422 2.574 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000424370577 429130915 /nfs/dbraw/zinc/13/09/15/429130915.db2.gz DRFPCZVZFDQXRZ-LASHMREHSA-N 2 1 313.489 2.757 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424363325 429131689 /nfs/dbraw/zinc/13/16/89/429131689.db2.gz BQKUPJSAGDMYNB-RSPOEFSDSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@H]1C[C@H](C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424363324 429132381 /nfs/dbraw/zinc/13/23/81/429132381.db2.gz BQKUPJSAGDMYNB-OJAHFUOMSA-N 2 1 313.489 2.581 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000424370575 429132586 /nfs/dbraw/zinc/13/25/86/429132586.db2.gz DRFPCZVZFDQXRZ-CENDIDJXSA-N 2 1 313.489 2.757 20 0 DFADMP CC[N@H+](Cc1cncc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435372460 429133184 /nfs/dbraw/zinc/13/31/84/429133184.db2.gz RJDBREWQKYCEGP-AWEZNQCLSA-N 2 1 312.255 2.808 20 0 DFADMP CC[N@@H+](Cc1cncc(Br)c1)[C@H]1CCC[NH2+]CC1 ZINC000435372460 429133191 /nfs/dbraw/zinc/13/31/91/429133191.db2.gz RJDBREWQKYCEGP-AWEZNQCLSA-N 2 1 312.255 2.808 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1ccnn1-c1ccccc1)CC[NH2+]CC2 ZINC000424388032 429134099 /nfs/dbraw/zinc/13/40/99/429134099.db2.gz YZABUWZLXCVNSL-INIZCTEOSA-N 2 1 310.445 2.836 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435373172 429134079 /nfs/dbraw/zinc/13/40/79/429134079.db2.gz MKRYGXGTJMJUMO-RDTXWAMCSA-N 2 1 311.429 2.926 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000435373172 429134086 /nfs/dbraw/zinc/13/40/86/429134086.db2.gz MKRYGXGTJMJUMO-RDTXWAMCSA-N 2 1 311.429 2.926 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494642832 429134187 /nfs/dbraw/zinc/13/41/87/429134187.db2.gz KYSXHGFRFUOMES-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369886 429134252 /nfs/dbraw/zinc/13/42/52/429134252.db2.gz GKAYJBGRKCZYNY-GOEBONIOSA-N 2 1 308.441 2.944 20 0 DFADMP CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435381877 429135857 /nfs/dbraw/zinc/13/58/57/429135857.db2.gz WJDIHKQCQYNKCB-QGZVFWFLSA-N 2 1 313.449 2.540 20 0 DFADMP CC[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435389903 429137510 /nfs/dbraw/zinc/13/75/10/429137510.db2.gz NBLVVNOANUUCRW-IBGZPJMESA-N 2 1 312.461 2.895 20 0 DFADMP CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435389903 429137514 /nfs/dbraw/zinc/13/75/14/429137514.db2.gz NBLVVNOANUUCRW-IBGZPJMESA-N 2 1 312.461 2.895 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000435392093 429138287 /nfs/dbraw/zinc/13/82/87/429138287.db2.gz ZVAMJIDWNBEYKL-NZUILWFCSA-N 2 1 306.425 2.682 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000487195443 429140566 /nfs/dbraw/zinc/14/05/66/429140566.db2.gz CYSJYPVAGXJRNG-NXHRZFHOSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424446937 429141798 /nfs/dbraw/zinc/14/17/98/429141798.db2.gz SZSHJASRFOCSFT-HIFRSBDPSA-N 2 1 318.465 2.696 20 0 DFADMP CCSCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697583 429159966 /nfs/dbraw/zinc/15/99/66/429159966.db2.gz SMSMCBQJIBOMLU-ZDUSSCGKSA-N 2 1 311.520 2.840 20 0 DFADMP CCSCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435697583 429159967 /nfs/dbraw/zinc/15/99/67/429159967.db2.gz SMSMCBQJIBOMLU-ZDUSSCGKSA-N 2 1 311.520 2.840 20 0 DFADMP C[N@@H+](CCCC1CCOCC1)C1CC[NH+](C2CCOCC2)CC1 ZINC000364030729 429161387 /nfs/dbraw/zinc/16/13/87/429161387.db2.gz RCQHZFBTTGTMHV-UHFFFAOYSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)[C@@H]1C ZINC000494905557 429163320 /nfs/dbraw/zinc/16/33/20/429163320.db2.gz AUTDZZXWVAZLLQ-IZBJGVDFSA-N 2 1 315.505 2.999 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(O)(c2ccccc2C)CC1 ZINC000364059765 429164147 /nfs/dbraw/zinc/16/41/47/429164147.db2.gz SXASBQOBBJTJRS-UHFFFAOYSA-N 2 1 313.445 2.874 20 0 DFADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccn2)CC3)nc1 ZINC000364080947 429167601 /nfs/dbraw/zinc/16/76/01/429167601.db2.gz JNJHCEWTVMHSKB-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)[C@@H]1C ZINC000494994649 429170329 /nfs/dbraw/zinc/17/03/29/429170329.db2.gz ILZXPFHFEPKWTQ-LTDCPUDJSA-N 2 1 302.462 2.777 20 0 DFADMP COc1ccc(C[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cn1 ZINC000436244191 429191425 /nfs/dbraw/zinc/19/14/25/429191425.db2.gz CEYSXIXPVSOPLX-UHFFFAOYSA-N 2 1 312.417 2.552 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2cc3c(cccc3F)[nH]2)CC1 ZINC000436277560 429192900 /nfs/dbraw/zinc/19/29/00/429192900.db2.gz ZDAUUTFXSQBTPI-UHFFFAOYSA-N 2 1 305.397 2.507 20 0 DFADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000436272618 429193955 /nfs/dbraw/zinc/19/39/55/429193955.db2.gz HLGUSYPDRGYWCK-IYBDPMFKSA-N 2 1 305.466 2.938 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccnc1 ZINC000364449179 429206216 /nfs/dbraw/zinc/20/62/16/429206216.db2.gz ROEBJJYZGWFVHJ-CYGHRXIMSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1cccnc1 ZINC000364449179 429206219 /nfs/dbraw/zinc/20/62/19/429206219.db2.gz ROEBJJYZGWFVHJ-CYGHRXIMSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000364477540 429211094 /nfs/dbraw/zinc/21/10/94/429211094.db2.gz ANJTVNHDKHGORZ-BLGPTSCISA-N 2 1 320.452 2.580 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CC[C@H](C)O3)CC2)nc(C)[nH+]1 ZINC000364488298 429212257 /nfs/dbraw/zinc/21/22/57/429212257.db2.gz AXZVNYYOSPULBV-YOEHRIQHSA-N 2 1 318.465 2.562 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@@H]3CC[C@H](C)O3)CC2)nc(C)[nH+]1 ZINC000364488298 429212259 /nfs/dbraw/zinc/21/22/59/429212259.db2.gz AXZVNYYOSPULBV-YOEHRIQHSA-N 2 1 318.465 2.562 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccnc1 ZINC000364449180 429205973 /nfs/dbraw/zinc/20/59/73/429205973.db2.gz ROEBJJYZGWFVHJ-MXSMSXNCSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccnc1 ZINC000364449180 429205976 /nfs/dbraw/zinc/20/59/76/429205976.db2.gz ROEBJJYZGWFVHJ-MXSMSXNCSA-N 2 1 303.450 2.622 20 0 DFADMP CCn1cc(CN(C)C2CC[NH+](CCC(F)(F)F)CC2)cn1 ZINC000445315985 429285221 /nfs/dbraw/zinc/28/52/21/429285221.db2.gz BICYTHIVMRDWLT-UHFFFAOYSA-N 2 1 318.387 2.752 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442770805 429235049 /nfs/dbraw/zinc/23/50/49/429235049.db2.gz YGRVAKIFHHCVOP-JYJNAYRXSA-N 2 1 303.450 2.608 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442770805 429235053 /nfs/dbraw/zinc/23/50/53/429235053.db2.gz YGRVAKIFHHCVOP-JYJNAYRXSA-N 2 1 303.450 2.608 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000442929549 429240410 /nfs/dbraw/zinc/24/04/10/429240410.db2.gz ROKWSZVKZYYWIA-LLVKDONJSA-N 2 1 302.340 2.988 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000442929550 429241195 /nfs/dbraw/zinc/24/11/95/429241195.db2.gz ROKWSZVKZYYWIA-NSHDSACASA-N 2 1 302.340 2.988 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000442925377 429241205 /nfs/dbraw/zinc/24/12/05/429241205.db2.gz VERTWVJEMHJDPB-OAHLLOKOSA-N 2 1 305.441 2.987 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364716897 429255629 /nfs/dbraw/zinc/25/56/29/429255629.db2.gz XULNSEDIUWMBCO-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364716897 429255633 /nfs/dbraw/zinc/25/56/33/429255633.db2.gz XULNSEDIUWMBCO-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP C[C@@]1(CNc2ncnc3[nH]ccc32)CCC[N@H+]1Cc1ccccc1 ZINC000489949377 429268761 /nfs/dbraw/zinc/26/87/61/429268761.db2.gz UGYDCBDLEJPQBK-IBGZPJMESA-N 2 1 321.428 3.425 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000425361208 429277571 /nfs/dbraw/zinc/27/75/71/429277571.db2.gz TYWQGCAVFSPSAV-FHLIZLRMSA-N 2 1 320.502 2.891 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000425361208 429277575 /nfs/dbraw/zinc/27/75/75/429277575.db2.gz TYWQGCAVFSPSAV-FHLIZLRMSA-N 2 1 320.502 2.891 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000425361209 429278903 /nfs/dbraw/zinc/27/89/03/429278903.db2.gz TYWQGCAVFSPSAV-JCGIZDLHSA-N 2 1 320.502 2.891 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000425361209 429278908 /nfs/dbraw/zinc/27/89/08/429278908.db2.gz TYWQGCAVFSPSAV-JCGIZDLHSA-N 2 1 320.502 2.891 20 0 DFADMP Cc1nccn1CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554406 429321577 /nfs/dbraw/zinc/32/15/77/429321577.db2.gz WDEZYJIRBAZPAH-HZPDHXFCSA-N 2 1 305.809 2.653 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](O)[C@H]1c1ccc(Cl)cc1 ZINC000425554406 429321583 /nfs/dbraw/zinc/32/15/83/429321583.db2.gz WDEZYJIRBAZPAH-HZPDHXFCSA-N 2 1 305.809 2.653 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCCCNC2=O)CC1 ZINC000449073353 429326229 /nfs/dbraw/zinc/32/62/29/429326229.db2.gz IJGRZQNOQWOAGB-MRXNPFEDSA-N 2 1 323.525 2.924 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2c(OC)c1 ZINC000449080051 429327158 /nfs/dbraw/zinc/32/71/58/429327158.db2.gz SFXNLTJEJAZTTE-UHFFFAOYSA-N 2 1 316.445 2.906 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000449098595 429330571 /nfs/dbraw/zinc/33/05/71/429330571.db2.gz KAQQUDJFOXLEJS-HUUCEWRRSA-N 2 1 311.514 2.637 20 0 DFADMP Cc1cc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000449164076 429347962 /nfs/dbraw/zinc/34/79/62/429347962.db2.gz OMEWZMLLPCERLC-GOSISDBHSA-N 2 1 316.470 2.783 20 0 DFADMP Cc1cc(C[NH2+]C[C@]2(O)CCN(Cc3ccccc3)C2)cs1 ZINC000449164076 429347966 /nfs/dbraw/zinc/34/79/66/429347966.db2.gz OMEWZMLLPCERLC-GOSISDBHSA-N 2 1 316.470 2.783 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449147645 429343700 /nfs/dbraw/zinc/34/37/00/429343700.db2.gz HPFMKQJLOWYFSK-KBPBESRZSA-N 2 1 314.433 2.746 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000425425297 429293228 /nfs/dbraw/zinc/29/32/28/429293228.db2.gz YBOLOJINPACHBG-MJGOQNOKSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425297 429293232 /nfs/dbraw/zinc/29/32/32/429293232.db2.gz YBOLOJINPACHBG-MJGOQNOKSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425297 429293237 /nfs/dbraw/zinc/29/32/37/429293237.db2.gz YBOLOJINPACHBG-MJGOQNOKSA-N 2 1 302.462 2.865 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495944090 429298445 /nfs/dbraw/zinc/29/84/45/429298445.db2.gz CVWHDNZGRFHNSB-UHFFFAOYSA-N 2 1 324.469 2.817 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495944090 429298449 /nfs/dbraw/zinc/29/84/49/429298449.db2.gz CVWHDNZGRFHNSB-UHFFFAOYSA-N 2 1 324.469 2.817 20 0 DFADMP C[C@H](C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000490632809 429298448 /nfs/dbraw/zinc/29/84/48/429298448.db2.gz UWMKUJYZYMFOGV-HBFSDRIKSA-N 2 1 315.505 2.748 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2c(c1)CCCC2 ZINC000490898544 429311811 /nfs/dbraw/zinc/31/18/11/429311811.db2.gz ICVDMVIJKGSRKW-FQEVSTJZSA-N 2 1 316.489 2.892 20 0 DFADMP COC1CCC([NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000365393987 429311888 /nfs/dbraw/zinc/31/18/88/429311888.db2.gz QUBASQYIXUIAJV-CGZBRXJRSA-N 2 1 318.465 2.609 20 0 DFADMP Cc1cc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cs1 ZINC000449164077 429347144 /nfs/dbraw/zinc/34/71/44/429347144.db2.gz OMEWZMLLPCERLC-SFHVURJKSA-N 2 1 316.470 2.783 20 0 DFADMP CC[C@](C)(C(=O)OC)[N@H+](CCCn1cc[nH+]c1C)CC1CC1 ZINC000425514670 429314766 /nfs/dbraw/zinc/31/47/66/429314766.db2.gz QVXHPDRVPULTQG-QGZVFWFLSA-N 2 1 307.438 2.635 20 0 DFADMP CC[C@](C)(C(=O)OC)[N@@H+](CCCn1cc[nH+]c1C)CC1CC1 ZINC000425514670 429314769 /nfs/dbraw/zinc/31/47/69/429314769.db2.gz QVXHPDRVPULTQG-QGZVFWFLSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1cc(C[NH2+]C[C@@]2(O)CCN(Cc3ccccc3)C2)cs1 ZINC000449164077 429347149 /nfs/dbraw/zinc/34/71/49/429347149.db2.gz OMEWZMLLPCERLC-SFHVURJKSA-N 2 1 316.470 2.783 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCCC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000449161657 429347196 /nfs/dbraw/zinc/34/71/96/429347196.db2.gz GJONRVIIVQIBTP-ICSRJNTNSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000449161657 429347198 /nfs/dbraw/zinc/34/71/98/429347198.db2.gz GJONRVIIVQIBTP-ICSRJNTNSA-N 2 1 314.473 2.936 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449338245 429391629 /nfs/dbraw/zinc/39/16/29/429391629.db2.gz UOUCQIZCJAHWFX-ZACQAIPSSA-N 2 1 309.498 2.665 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3sccc3Cl)CC2)C1 ZINC000365878836 429394706 /nfs/dbraw/zinc/39/47/06/429394706.db2.gz RZNQWMJUFXVZNP-CYBMUJFWSA-N 2 1 313.898 2.613 20 0 DFADMP COC[C@](C)(O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449383835 429402395 /nfs/dbraw/zinc/40/23/95/429402395.db2.gz KJYOQVMBXVZVQY-RDTXWAMCSA-N 2 1 317.433 2.619 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@H]3C2)cc1 ZINC000449402731 429406250 /nfs/dbraw/zinc/40/62/50/429406250.db2.gz NDBMAXUSWHFTHN-SLFFLAALSA-N 2 1 312.457 2.833 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1 ZINC000457121307 429408021 /nfs/dbraw/zinc/40/80/21/429408021.db2.gz ODYVVJQSDZSSLM-QGZVFWFLSA-N 2 1 311.514 2.830 20 0 DFADMP C[C@H](C[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1)C[NH+](C)C ZINC000425951320 429352421 /nfs/dbraw/zinc/35/24/21/429352421.db2.gz MMDBPBMAOJCWFS-HUUCEWRRSA-N 2 1 303.450 2.662 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000365660283 429358659 /nfs/dbraw/zinc/35/86/59/429358659.db2.gz NUIHUUIYQPEIPT-FRYIKTPZSA-N 2 1 319.537 2.937 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000426034650 429361548 /nfs/dbraw/zinc/36/15/48/429361548.db2.gz GCVIKOJTYFEVKB-OFLPRAFFSA-N 2 1 310.482 2.962 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+]C1CCC(C(=O)OC)CC1 ZINC000426034650 429361552 /nfs/dbraw/zinc/36/15/52/429361552.db2.gz GCVIKOJTYFEVKB-OFLPRAFFSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)N1CCc2ccccc21 ZINC000513689413 429362040 /nfs/dbraw/zinc/36/20/40/429362040.db2.gz BVIZAKQYGVEEDM-DLVXIWMQSA-N 2 1 313.489 2.900 20 0 DFADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000449245128 429364730 /nfs/dbraw/zinc/36/47/30/429364730.db2.gz YQOVZTSSZIMOGR-FQEVSTJZSA-N 2 1 310.441 2.818 20 0 DFADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000449245128 429364735 /nfs/dbraw/zinc/36/47/35/429364735.db2.gz YQOVZTSSZIMOGR-FQEVSTJZSA-N 2 1 310.441 2.818 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc2occc2c1)CC[NH+](C)C ZINC000514635061 429367113 /nfs/dbraw/zinc/36/71/13/429367113.db2.gz QVUQJKHXMJRVGC-UHFFFAOYSA-N 2 1 303.450 2.748 20 0 DFADMP COc1cc(C)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000449284282 429375832 /nfs/dbraw/zinc/37/58/32/429375832.db2.gz OOUZJOORAGNPRB-MRXNPFEDSA-N 2 1 306.450 2.594 20 0 DFADMP COc1cc(C)ccc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000449284282 429375837 /nfs/dbraw/zinc/37/58/37/429375837.db2.gz OOUZJOORAGNPRB-MRXNPFEDSA-N 2 1 306.450 2.594 20 0 DFADMP C[C@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)C[NH+](C)C ZINC000491588794 429376675 /nfs/dbraw/zinc/37/66/75/429376675.db2.gz LLXPYWZJDPEXLX-QGZVFWFLSA-N 2 1 305.510 2.932 20 0 DFADMP C[C@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C[NH+](C)C ZINC000491588794 429376678 /nfs/dbraw/zinc/37/66/78/429376678.db2.gz LLXPYWZJDPEXLX-QGZVFWFLSA-N 3 1 305.510 2.932 20 0 DFADMP C[C@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C[NH+](C)C ZINC000491588794 429376682 /nfs/dbraw/zinc/37/66/82/429376682.db2.gz LLXPYWZJDPEXLX-QGZVFWFLSA-N 3 1 305.510 2.932 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000518981294 429441503 /nfs/dbraw/zinc/44/15/03/429441503.db2.gz SUBBQBSWMXKIEO-DQSGYLJSSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000519524733 429461542 /nfs/dbraw/zinc/46/15/42/429461542.db2.gz VGQHFTOSOFEBNF-QGZVFWFLSA-N 2 1 309.498 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000519524733 429461547 /nfs/dbraw/zinc/46/15/47/429461547.db2.gz VGQHFTOSOFEBNF-QGZVFWFLSA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC000426786992 429416226 /nfs/dbraw/zinc/41/62/26/429416226.db2.gz ZWSCMBDMXAZXEM-IAGOWNOFSA-N 2 1 323.525 2.687 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC000426789141 429417264 /nfs/dbraw/zinc/41/72/64/429417264.db2.gz SAEKNZULDDACOG-DLBZAZTESA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC000426789142 429418098 /nfs/dbraw/zinc/41/80/98/429418098.db2.gz SAEKNZULDDACOG-IAGOWNOFSA-N 2 1 323.525 2.830 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000518397093 429421185 /nfs/dbraw/zinc/42/11/85/429421185.db2.gz OOABECQTIFVHJK-VYDXJSESSA-N 2 1 307.507 2.871 20 0 DFADMP C[N@@H+](CCCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC000457196876 429423880 /nfs/dbraw/zinc/42/38/80/429423880.db2.gz HWBQBQGONFILQO-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC000457196876 429423885 /nfs/dbraw/zinc/42/38/85/429423885.db2.gz HWBQBQGONFILQO-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC1 ZINC000457196876 429423890 /nfs/dbraw/zinc/42/38/90/429423890.db2.gz HWBQBQGONFILQO-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000491900258 429430363 /nfs/dbraw/zinc/43/03/63/429430363.db2.gz DMXMVYZOZCWSOK-IAGOWNOFSA-N 2 1 311.514 2.924 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2CCOC3(CCC3)C2)s1 ZINC000449482004 429431584 /nfs/dbraw/zinc/43/15/84/429431584.db2.gz XHPUFOZKBFAACY-ZDUSSCGKSA-N 2 1 309.479 2.644 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)nc1 ZINC000427106695 429432607 /nfs/dbraw/zinc/43/26/07/429432607.db2.gz GCTMXXNZQLGQFL-YLJYHZDGSA-N 2 1 323.440 2.844 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)nc1 ZINC000427106695 429432610 /nfs/dbraw/zinc/43/26/10/429432610.db2.gz GCTMXXNZQLGQFL-YLJYHZDGSA-N 2 1 323.440 2.844 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000427119877 429434296 /nfs/dbraw/zinc/43/42/96/429434296.db2.gz NNCWDPKVUJYDOZ-MOPGFXCFSA-N 2 1 315.505 2.828 20 0 DFADMP CCO[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1C ZINC000449503751 429437090 /nfs/dbraw/zinc/43/70/90/429437090.db2.gz PTYCQPCTXIIZGL-RDTXWAMCSA-N 2 1 314.433 2.823 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC[C@@H]3CCOC3)sc2C1 ZINC000449686677 429478600 /nfs/dbraw/zinc/47/86/00/429478600.db2.gz XWPMMSLIUSFGLF-CQSZACIVSA-N 2 1 323.506 2.816 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC[C@@H]3CCOC3)sc2C1 ZINC000449686677 429478605 /nfs/dbraw/zinc/47/86/05/429478605.db2.gz XWPMMSLIUSFGLF-CQSZACIVSA-N 2 1 323.506 2.816 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCC(C)(C)O2)[C@H](C)C1 ZINC000427967839 429480591 /nfs/dbraw/zinc/48/05/91/429480591.db2.gz SKUSWNRZCHWUCT-ZACQAIPSSA-N 2 1 312.498 2.671 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034696 429484234 /nfs/dbraw/zinc/48/42/34/429484234.db2.gz TXYPKBAIWMXFKT-TZMCWYRMSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000428034696 429484238 /nfs/dbraw/zinc/48/42/38/429484238.db2.gz TXYPKBAIWMXFKT-TZMCWYRMSA-N 2 1 314.351 2.768 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc1SC ZINC000366750763 429507210 /nfs/dbraw/zinc/50/72/10/429507210.db2.gz LMHATJDGGONKAH-AWEZNQCLSA-N 2 1 317.458 2.966 20 0 DFADMP Cc1csc(N2CCC([NH2+]CC[N@@H+]3CCCC3(C)C)CC2)n1 ZINC000449783972 429510648 /nfs/dbraw/zinc/51/06/48/429510648.db2.gz TYYGZZMZLNWUOQ-UHFFFAOYSA-N 2 1 322.522 2.884 20 0 DFADMP Cc1csc(N2CCC([NH2+]CC[N@H+]3CCCC3(C)C)CC2)n1 ZINC000449783972 429510653 /nfs/dbraw/zinc/51/06/53/429510653.db2.gz TYYGZZMZLNWUOQ-UHFFFAOYSA-N 2 1 322.522 2.884 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@H]2CCOc3ccccc32)CCCO1 ZINC000366777107 429513271 /nfs/dbraw/zinc/51/32/71/429513271.db2.gz ODBDXLPKGMKUFM-DLBZAZTESA-N 2 1 318.461 2.643 20 0 DFADMP CC[C@]1(O)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000428425850 429520172 /nfs/dbraw/zinc/52/01/72/429520172.db2.gz XSZQPMLUPBEORK-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@]1(O)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000428425850 429520176 /nfs/dbraw/zinc/52/01/76/429520176.db2.gz XSZQPMLUPBEORK-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@]1(O)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000428425850 429520178 /nfs/dbraw/zinc/52/01/78/429520178.db2.gz XSZQPMLUPBEORK-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@]1(O)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000428425850 429520184 /nfs/dbraw/zinc/52/01/84/429520184.db2.gz XSZQPMLUPBEORK-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1 ZINC000428961628 429565890 /nfs/dbraw/zinc/56/58/90/429565890.db2.gz ADIMLWYUGDIIRR-UHFFFAOYSA-N 2 1 317.477 2.918 20 0 DFADMP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000367076074 429572238 /nfs/dbraw/zinc/57/22/38/429572238.db2.gz ZFHHYKWQSWGURN-OXXUSNJHSA-N 2 1 311.429 2.988 20 0 DFADMP CC[NH+]1CCC(N(Cc2ccc(C(=O)OC)cc2)C2CC2)CC1 ZINC000367111636 429581157 /nfs/dbraw/zinc/58/11/57/429581157.db2.gz ZWVLSBCLPJWNET-UHFFFAOYSA-N 2 1 316.445 2.922 20 0 DFADMP CCc1cc(NCc2ccc(C[NH+]3CCOCC3)cc2)cc[nH+]1 ZINC000450229333 429584078 /nfs/dbraw/zinc/58/40/78/429584078.db2.gz WYPUDDWNTJKBHY-UHFFFAOYSA-N 2 1 311.429 2.510 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CC(=O)NC3CCCCCC3)C2)CC1 ZINC000366877523 429532131 /nfs/dbraw/zinc/53/21/31/429532131.db2.gz CGXLNBSHAFBGRO-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP C[C@H](C(=O)NCC1([NH3+])CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000428587355 429535686 /nfs/dbraw/zinc/53/56/86/429535686.db2.gz XOYXDORRLCYAMI-MRXNPFEDSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000521030775 429535877 /nfs/dbraw/zinc/53/58/77/429535877.db2.gz AJROPTXNFSMVAC-GWFLUQINSA-N 2 1 302.462 2.758 20 0 DFADMP C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936620 429540646 /nfs/dbraw/zinc/54/06/46/429540646.db2.gz DSLCWMALTBQIFE-NVXWUHKLSA-N 2 1 323.525 2.876 20 0 DFADMP C[NH+](C)[C@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000521177356 429540659 /nfs/dbraw/zinc/54/06/59/429540659.db2.gz ULZPMYOJTUCWNF-KRWDZBQOSA-N 2 1 317.477 2.622 20 0 DFADMP C[NH+](C)[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)c1ccccc1 ZINC000521177356 429540663 /nfs/dbraw/zinc/54/06/63/429540663.db2.gz ULZPMYOJTUCWNF-KRWDZBQOSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000366951168 429545338 /nfs/dbraw/zinc/54/53/38/429545338.db2.gz IYSVXOXYKCDHIR-UFYCRDLUSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000366951168 429545341 /nfs/dbraw/zinc/54/53/41/429545341.db2.gz IYSVXOXYKCDHIR-UFYCRDLUSA-N 2 1 314.473 2.769 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000366951023 429545915 /nfs/dbraw/zinc/54/59/15/429545915.db2.gz HYAVZPKVWZVOPJ-UHFFFAOYSA-N 2 1 304.482 2.946 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000367309258 429616781 /nfs/dbraw/zinc/61/67/81/429616781.db2.gz UXCBUVFQEWVZJV-ZIAGYGMSSA-N 2 1 301.390 2.995 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000367309258 429616786 /nfs/dbraw/zinc/61/67/86/429616786.db2.gz UXCBUVFQEWVZJV-ZIAGYGMSSA-N 2 1 301.390 2.995 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450472249 429635310 /nfs/dbraw/zinc/63/53/10/429635310.db2.gz LRLLZTJWUQESPV-AYOQOUSVSA-N 2 1 313.445 2.821 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450472249 429635315 /nfs/dbraw/zinc/63/53/15/429635315.db2.gz LRLLZTJWUQESPV-AYOQOUSVSA-N 2 1 313.445 2.821 20 0 DFADMP CCC[NH+]1CCC(N(C)CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000450469344 429635565 /nfs/dbraw/zinc/63/55/65/429635565.db2.gz QYCLCVHHTOCUGE-UHFFFAOYSA-N 2 1 303.494 2.925 20 0 DFADMP c1cncc(-c2c[nH+]ccc2NC[C@@H]2CCCC[N@H+]2C2CC2)c1 ZINC000367418156 429643385 /nfs/dbraw/zinc/64/33/85/429643385.db2.gz JUTQRWMYJLXKSH-KRWDZBQOSA-N 2 1 308.429 2.994 20 0 DFADMP C[NH+](C)CCC1CC[NH+](Cc2ccn(CC(F)(F)F)n2)CC1 ZINC000450286262 429592871 /nfs/dbraw/zinc/59/28/71/429592871.db2.gz NRARNCDZLFHQCZ-UHFFFAOYSA-N 2 1 318.387 2.609 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@@H](C)O)[C@H](C)C3)c2c1 ZINC000450314181 429598424 /nfs/dbraw/zinc/59/84/24/429598424.db2.gz TYBADJJRNUJTIP-HUUCEWRRSA-N 2 1 313.445 2.689 20 0 DFADMP Cc1cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)ccc1C[NH+](C)C ZINC000458273303 429612143 /nfs/dbraw/zinc/61/21/43/429612143.db2.gz WPNXHVGGDUHQRF-QGZVFWFLSA-N 2 1 301.434 2.622 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3c[nH]nc3-c3ccsc3)C2)C1 ZINC000430137370 429655654 /nfs/dbraw/zinc/65/56/54/429655654.db2.gz VYMNRAUNQBMBEN-INIZCTEOSA-N 2 1 302.447 2.666 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000367494755 429659055 /nfs/dbraw/zinc/65/90/55/429659055.db2.gz HDRWUKCRXDFEJW-QYZOEREBSA-N 2 1 307.526 2.913 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)NCc1c[nH+]c2n1CCCC2 ZINC000367491544 429659095 /nfs/dbraw/zinc/65/90/95/429659095.db2.gz VGNKQWCIWLDZCG-UHFFFAOYSA-N 2 1 320.481 2.738 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000367517920 429664144 /nfs/dbraw/zinc/66/41/44/429664144.db2.gz FILBQPNWYKPMAG-FHWLQOOXSA-N 2 1 310.445 2.835 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000361720122 276067976 /nfs/dbraw/zinc/06/79/76/276067976.db2.gz XPNLEUGANSOIIQ-XHSDSOJGSA-N 2 1 318.465 2.515 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]CC2)c1 ZINC000364238385 276075538 /nfs/dbraw/zinc/07/55/38/276075538.db2.gz QRILHMNHFMBOEE-MRXNPFEDSA-N 2 1 317.477 2.534 20 0 DFADMP C[C@H](O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450650639 429670315 /nfs/dbraw/zinc/67/03/15/429670315.db2.gz RKYUFEAYWGQDHU-KRWDZBQOSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450650002 429670865 /nfs/dbraw/zinc/67/08/65/429670865.db2.gz YHSAHRZNBGQGKZ-WMZOPIPTSA-N 2 1 302.462 2.711 20 0 DFADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000430552708 429689077 /nfs/dbraw/zinc/68/90/77/429689077.db2.gz NRSOOXZDXIIKGJ-HNNXBMFYSA-N 2 1 308.451 2.694 20 0 DFADMP CC[N@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000132326443 276228396 /nfs/dbraw/zinc/22/83/96/276228396.db2.gz ZZOAIRICSVPTKD-XLIONFOSSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000355232871 276286561 /nfs/dbraw/zinc/28/65/61/276286561.db2.gz HJXUQNZMEHHWKU-OKZBNKHCSA-N 2 1 317.477 2.715 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617734 429687942 /nfs/dbraw/zinc/68/79/42/429687942.db2.gz REFKDWHUZHEHQY-GUDVDZBRSA-N 2 1 319.468 2.720 20 0 DFADMP CN(CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@@H]21)Cc1ccc(F)cc1 ZINC000367617734 429687946 /nfs/dbraw/zinc/68/79/46/429687946.db2.gz REFKDWHUZHEHQY-GUDVDZBRSA-N 2 1 319.468 2.720 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCc1nc(-c2ccccc2)no1 ZINC000430594309 429698800 /nfs/dbraw/zinc/69/88/00/429698800.db2.gz VGRKQSXNCTYQPY-HNNXBMFYSA-N 2 1 302.422 2.584 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430556774 429691861 /nfs/dbraw/zinc/69/18/61/429691861.db2.gz VDQPIVMKNGWIFT-GOSISDBHSA-N 2 1 319.493 2.878 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000430556774 429691863 /nfs/dbraw/zinc/69/18/63/429691863.db2.gz VDQPIVMKNGWIFT-GOSISDBHSA-N 2 1 319.493 2.878 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245899591 276323001 /nfs/dbraw/zinc/32/30/01/276323001.db2.gz PUJGMJPSBYYRTR-RDJZCZTQSA-N 2 1 323.868 2.543 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245899591 276323004 /nfs/dbraw/zinc/32/30/04/276323004.db2.gz PUJGMJPSBYYRTR-RDJZCZTQSA-N 2 1 323.868 2.543 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090001840 276323245 /nfs/dbraw/zinc/32/32/45/276323245.db2.gz PUJGMJPSBYYRTR-NVXWUHKLSA-N 2 1 323.868 2.543 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090001840 276323248 /nfs/dbraw/zinc/32/32/48/276323248.db2.gz PUJGMJPSBYYRTR-NVXWUHKLSA-N 2 1 323.868 2.543 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430572029 429693221 /nfs/dbraw/zinc/69/32/21/429693221.db2.gz IZQBUSZBQZBMRJ-MLGOLLRUSA-N 2 1 307.413 2.522 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430572029 429693232 /nfs/dbraw/zinc/69/32/32/429693232.db2.gz IZQBUSZBQZBMRJ-MLGOLLRUSA-N 2 1 307.413 2.522 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000450773199 429696985 /nfs/dbraw/zinc/69/69/85/429696985.db2.gz AGPPYWIEEORRPR-MEDUHNTESA-N 2 1 301.365 2.523 20 0 DFADMP Cc1ccc(CC[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000367677776 429697495 /nfs/dbraw/zinc/69/74/95/429697495.db2.gz HHZCPONKWKWMGR-FQEVSTJZSA-N 2 1 315.505 2.638 20 0 DFADMP C[N@@H+](Cc1ccc(OCc2ccccn2)cc1)C1CC[NH2+]CC1 ZINC000430613935 429700302 /nfs/dbraw/zinc/70/03/02/429700302.db2.gz XUFPKOMACYAGRD-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccccc3C)C2)CC1 ZINC000130562602 276387767 /nfs/dbraw/zinc/38/77/67/276387767.db2.gz CKPFLCOXEFJQJV-ROUUACIJSA-N 2 1 301.478 2.768 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430619967 429702957 /nfs/dbraw/zinc/70/29/57/429702957.db2.gz ARBDGQWVILYMTL-GFCCVEGCSA-N 2 1 318.339 2.635 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430629364 429703906 /nfs/dbraw/zinc/70/39/06/429703906.db2.gz PZARQDRLPORLCQ-ZDUSSCGKSA-N 2 1 309.841 2.600 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000526977955 429714022 /nfs/dbraw/zinc/71/40/22/429714022.db2.gz XPYHZLFBPRZJMZ-MRXNPFEDSA-N 2 1 312.404 2.951 20 0 DFADMP Cc1sc(NC(=O)C[NH+]2CCC([C@H](C)[NH3+])CC2)c(C)c1C ZINC000430926697 429725693 /nfs/dbraw/zinc/72/56/93/429725693.db2.gz GSYHFLWOJDYVFB-LBPRGKRZSA-N 2 1 309.479 2.671 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430941276 429727097 /nfs/dbraw/zinc/72/70/97/429727097.db2.gz VLFWLKGGCMMMHG-KRWDZBQOSA-N 2 1 323.440 2.980 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430941276 429727102 /nfs/dbraw/zinc/72/71/02/429727102.db2.gz VLFWLKGGCMMMHG-KRWDZBQOSA-N 2 1 323.440 2.980 20 0 DFADMP CCC(CC)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)C ZINC000482857324 429728451 /nfs/dbraw/zinc/72/84/51/429728451.db2.gz JLYFAZVDSGGAMI-UHFFFAOYSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000430960227 429728895 /nfs/dbraw/zinc/72/88/95/429728895.db2.gz HQPRZQHFJCSAOU-HZPDHXFCSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@H](C[NH3+])C1 ZINC000430960227 429728899 /nfs/dbraw/zinc/72/88/99/429728899.db2.gz HQPRZQHFJCSAOU-HZPDHXFCSA-N 2 1 323.440 2.961 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430959971 429729459 /nfs/dbraw/zinc/72/94/59/429729459.db2.gz FYZVVUDNSNHNMO-KBPBESRZSA-N 2 1 321.490 2.796 20 0 DFADMP C[C@@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000367855731 429732030 /nfs/dbraw/zinc/73/20/30/429732030.db2.gz IXEZXFJRHVZALN-VQIMIIECSA-N 2 1 319.468 2.816 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000431047299 429737698 /nfs/dbraw/zinc/73/76/98/429737698.db2.gz WRTMSRHKVFQABW-ROUUACIJSA-N 2 1 317.477 2.532 20 0 DFADMP C[N@H+]1CC[C@H]2OCCN(CC34CC5CC(CC(C5)C3)C4)[C@H]2C1 ZINC000450956664 429738373 /nfs/dbraw/zinc/73/83/73/429738373.db2.gz SDKDNOOTOUUYLQ-ZBHMHGNTSA-N 2 1 304.478 2.608 20 0 DFADMP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000367892650 429738899 /nfs/dbraw/zinc/73/88/99/429738899.db2.gz RHZNRJQTMUMALS-GOSISDBHSA-N 2 1 322.880 2.804 20 0 DFADMP C[N@H+]1CC[C@H]2OCCN(CC34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000450956661 429739014 /nfs/dbraw/zinc/73/90/14/429739014.db2.gz SDKDNOOTOUUYLQ-ROIMYGTQSA-N 2 1 304.478 2.608 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCc1cccc(F)c1 ZINC000367915142 429741572 /nfs/dbraw/zinc/74/15/72/429741572.db2.gz CIJRFNKIMULUNZ-GUDVDZBRSA-N 2 1 320.452 2.942 20 0 DFADMP CC1CCN(CC[N@@H+]2CC[C@H](n3cnc4c3CCCC4)C2)CC1 ZINC000432072860 429798742 /nfs/dbraw/zinc/79/87/42/429798742.db2.gz UXYCAEXPMFBLRN-KRWDZBQOSA-N 2 1 316.493 2.741 20 0 DFADMP CCn1ccnc1CN1CC[C@@H](n2c(C)nc3c2CCCC3)C1 ZINC000432075315 429799145 /nfs/dbraw/zinc/79/91/45/429799145.db2.gz FAOCPPQTHBRUEZ-OAHLLOKOSA-N 2 1 313.449 2.734 20 0 DFADMP CC1CCC(O)(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)CC1 ZINC000432074593 429799328 /nfs/dbraw/zinc/79/93/28/429799328.db2.gz CCUJDZWEUYXHSK-KOHRHEQBSA-N 2 1 317.477 2.950 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093048 429801393 /nfs/dbraw/zinc/80/13/93/429801393.db2.gz ZYHGJNSRHMPBLJ-SJORKVTESA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093048 429801397 /nfs/dbraw/zinc/80/13/97/429801397.db2.gz ZYHGJNSRHMPBLJ-SJORKVTESA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432093048 429801400 /nfs/dbraw/zinc/80/14/00/429801400.db2.gz ZYHGJNSRHMPBLJ-SJORKVTESA-N 2 1 316.493 2.883 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccccc1C[NH+](C)C ZINC000486919877 429752983 /nfs/dbraw/zinc/75/29/83/429752983.db2.gz JYAGYNXRRMKAOQ-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000451070359 429761803 /nfs/dbraw/zinc/76/18/03/429761803.db2.gz OLYJJJJCVTVPDI-BHIYHBOVSA-N 2 1 302.462 2.569 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000368010178 429765312 /nfs/dbraw/zinc/76/53/12/429765312.db2.gz ZDKDYUOSIKXYJN-IUODEOHRSA-N 2 1 315.392 2.870 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C)CC2)cc(C(F)(F)F)c1 ZINC000527630773 429770183 /nfs/dbraw/zinc/77/01/83/429770183.db2.gz HETDVNUFJGRNFK-UHFFFAOYSA-N 2 1 302.340 2.898 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527663678 429776116 /nfs/dbraw/zinc/77/61/16/429776116.db2.gz BLOQDWMYXVZIRE-TTYHFUOFSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527663678 429776120 /nfs/dbraw/zinc/77/61/20/429776120.db2.gz BLOQDWMYXVZIRE-TTYHFUOFSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431746886 429780742 /nfs/dbraw/zinc/78/07/42/429780742.db2.gz XEDBDYDUJJTULL-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431746886 429780746 /nfs/dbraw/zinc/78/07/46/429780746.db2.gz XEDBDYDUJJTULL-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1CCC[NH+](CCCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431746886 429780749 /nfs/dbraw/zinc/78/07/49/429780749.db2.gz XEDBDYDUJJTULL-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000368073452 429781272 /nfs/dbraw/zinc/78/12/72/429781272.db2.gz ZXYFXZTVBHMUPS-DLBZAZTESA-N 2 1 318.852 2.880 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3ccc(F)cc3[nH]2)CCCO1 ZINC000432348285 429816331 /nfs/dbraw/zinc/81/63/31/429816331.db2.gz QJMBOEJIFXOWGY-AWEZNQCLSA-N 2 1 319.424 2.898 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@H](OC)c2cccc(OC)c2)CC1 ZINC000527922591 429821046 /nfs/dbraw/zinc/82/10/46/429821046.db2.gz ZNZSNSWFKSABHW-SFHVURJKSA-N 2 1 306.450 2.847 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C12CCCC2 ZINC000432413453 429821440 /nfs/dbraw/zinc/82/14/40/429821440.db2.gz MRZJJSKJIXZKPZ-RCCFBDPRSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432419711 429822460 /nfs/dbraw/zinc/82/24/60/429822460.db2.gz FHTXHAZCGVHVDS-HJZRJOMTSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432419711 429822464 /nfs/dbraw/zinc/82/24/64/429822464.db2.gz FHTXHAZCGVHVDS-HJZRJOMTSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccccc1N(C)C ZINC000432410524 429822645 /nfs/dbraw/zinc/82/26/45/429822645.db2.gz PRFFSKBXGLUMPJ-IAGOWNOFSA-N 2 1 319.493 2.904 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000527935534 429823224 /nfs/dbraw/zinc/82/32/24/429823224.db2.gz ZWIMAWLIZAPSOV-IUVQAAGXSA-N 2 1 316.445 2.679 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000527930047 429823560 /nfs/dbraw/zinc/82/35/60/429823560.db2.gz HDKZRAHYTNKBRZ-BSXFFOKHSA-N 2 1 304.434 2.535 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527982099 429831418 /nfs/dbraw/zinc/83/14/18/429831418.db2.gz QLNPWSLBZAAEJN-WDEUGEGNSA-N 2 1 312.457 2.666 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528024953 429839456 /nfs/dbraw/zinc/83/94/56/429839456.db2.gz FHZXYLLGRRPMSX-XUVXKRRUSA-N 2 1 314.473 2.913 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000432787401 429840040 /nfs/dbraw/zinc/84/00/40/429840040.db2.gz SEFNRMRCRMMXSC-CQSZACIVSA-N 3 1 304.463 2.850 20 0 DFADMP C[NH+](C)[C@@H]1CCCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000432787401 429840045 /nfs/dbraw/zinc/84/00/45/429840045.db2.gz SEFNRMRCRMMXSC-CQSZACIVSA-N 3 1 304.463 2.850 20 0 DFADMP COCC(C)(C)C[NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1 ZINC000494007071 429853529 /nfs/dbraw/zinc/85/35/29/429853529.db2.gz OABDUAIPNUZBCT-UHFFFAOYSA-N 2 1 312.498 2.672 20 0 DFADMP CC(C)c1cccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)c1 ZINC000527856951 429809457 /nfs/dbraw/zinc/80/94/57/429809457.db2.gz ACGHXOBZINOJDG-MRXNPFEDSA-N 2 1 317.477 2.625 20 0 DFADMP CC[C@]1(C(=O)N2CCC[C@H](n3cc[nH+]c3C(C)C)C2)CCC[NH2+]1 ZINC000368659614 429884160 /nfs/dbraw/zinc/88/41/60/429884160.db2.gz OOWPYDGTHHJLNS-MAUKXSAKSA-N 2 1 318.465 2.702 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000528392789 429884569 /nfs/dbraw/zinc/88/45/69/429884569.db2.gz DJMWLSRYWXVQJS-FHLIZLRMSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000528392789 429884571 /nfs/dbraw/zinc/88/45/71/429884571.db2.gz DJMWLSRYWXVQJS-FHLIZLRMSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528392789 429884573 /nfs/dbraw/zinc/88/45/73/429884573.db2.gz DJMWLSRYWXVQJS-FHLIZLRMSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528392789 429884575 /nfs/dbraw/zinc/88/45/75/429884575.db2.gz DJMWLSRYWXVQJS-FHLIZLRMSA-N 2 1 308.441 2.798 20 0 DFADMP OCc1ccc(F)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000528421780 429886679 /nfs/dbraw/zinc/88/66/79/429886679.db2.gz BFPJLUUVKZVLAJ-HNAYVOBHSA-N 2 1 318.436 2.767 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000528478086 429891831 /nfs/dbraw/zinc/89/18/31/429891831.db2.gz SOWLFRGYLSSENJ-ZWKOTPCHSA-N 2 1 308.441 2.799 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@H+]2C)o1 ZINC000368755694 429892085 /nfs/dbraw/zinc/89/20/85/429892085.db2.gz CYWAAKVSIXAMDS-DOTOQJQBSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)o1 ZINC000368755694 429892087 /nfs/dbraw/zinc/89/20/87/429892087.db2.gz CYWAAKVSIXAMDS-DOTOQJQBSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)o1 ZINC000368755694 429892088 /nfs/dbraw/zinc/89/20/88/429892088.db2.gz CYWAAKVSIXAMDS-DOTOQJQBSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)o1 ZINC000368755694 429892090 /nfs/dbraw/zinc/89/20/90/429892090.db2.gz CYWAAKVSIXAMDS-DOTOQJQBSA-N 2 1 319.449 2.537 20 0 DFADMP Cc1csc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000368782318 429893486 /nfs/dbraw/zinc/89/34/86/429893486.db2.gz XWDYIIHRLSVLHH-UHFFFAOYSA-N 2 1 322.522 2.840 20 0 DFADMP Cc1csc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000368782318 429893488 /nfs/dbraw/zinc/89/34/88/429893488.db2.gz XWDYIIHRLSVLHH-UHFFFAOYSA-N 2 1 322.522 2.840 20 0 DFADMP CO[C@H](C[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000528519702 429896092 /nfs/dbraw/zinc/89/60/92/429896092.db2.gz VTFZTBWIRHDPDK-QZTJIDSGSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000528519702 429896094 /nfs/dbraw/zinc/89/60/94/429896094.db2.gz VTFZTBWIRHDPDK-QZTJIDSGSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)c1ccc(F)cc1 ZINC000528519702 429896096 /nfs/dbraw/zinc/89/60/96/429896096.db2.gz VTFZTBWIRHDPDK-QZTJIDSGSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)c1ccc(F)cc1 ZINC000528519702 429896097 /nfs/dbraw/zinc/89/60/97/429896097.db2.gz VTFZTBWIRHDPDK-QZTJIDSGSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528520346 429896601 /nfs/dbraw/zinc/89/66/01/429896601.db2.gz WXSFXNVSMSXAMP-MOPGFXCFSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000528520346 429896603 /nfs/dbraw/zinc/89/66/03/429896603.db2.gz WXSFXNVSMSXAMP-MOPGFXCFSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000528520346 429896605 /nfs/dbraw/zinc/89/66/05/429896605.db2.gz WXSFXNVSMSXAMP-MOPGFXCFSA-N 2 1 320.452 2.801 20 0 DFADMP CCC[N@H+]1CCCN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000368840039 429898273 /nfs/dbraw/zinc/89/82/73/429898273.db2.gz YWSCRSYHKQFMDH-UHFFFAOYSA-N 2 1 318.465 2.698 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccnn1-c1ccccc1 ZINC000369077888 429911173 /nfs/dbraw/zinc/91/11/73/429911173.db2.gz NILHBXWVSWQNRH-LSDHHAIUSA-N 2 1 307.401 2.734 20 0 DFADMP Cc1cccc(NC2CC[NH+](CCO[C@H]3CCCCO3)CC2)[nH+]1 ZINC000369335722 429925392 /nfs/dbraw/zinc/92/53/92/429925392.db2.gz SFIVQXKWARKEIE-SFHVURJKSA-N 2 1 319.449 2.810 20 0 DFADMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000368584337 429871352 /nfs/dbraw/zinc/87/13/52/429871352.db2.gz MIWCWGKDQXSFIH-AWEZNQCLSA-N 2 1 307.507 2.657 20 0 DFADMP Cc1cc(F)ccc1CN1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000573504194 429957583 /nfs/dbraw/zinc/95/75/83/429957583.db2.gz XALNGEFXDGYTKX-OAHLLOKOSA-N 2 1 306.425 2.819 20 0 DFADMP CN(C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000558253776 429966100 /nfs/dbraw/zinc/96/61/00/429966100.db2.gz FAADWEWOGUQVMT-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000558253776 429966102 /nfs/dbraw/zinc/96/61/02/429966102.db2.gz FAADWEWOGUQVMT-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000558253776 429966105 /nfs/dbraw/zinc/96/61/05/429966105.db2.gz FAADWEWOGUQVMT-HSALFYBXSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc4cc(F)ccc4o3)C2)CC1 ZINC000639757631 429970552 /nfs/dbraw/zinc/97/05/52/429970552.db2.gz JYRWEPJIBQVFSY-UHFFFAOYSA-N 2 1 303.381 2.885 20 0 DFADMP C[C@@H](c1ccccc1)[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754692 429971291 /nfs/dbraw/zinc/97/12/91/429971291.db2.gz DMOVFRBBDKWXAM-FUHWJXTLSA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+]1CCC2(CC[N@H+]([C@@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000639754568 429971391 /nfs/dbraw/zinc/97/13/91/429971391.db2.gz CGQMJWAYQXPVTO-LJQANCHMSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccn(-c4ccccc4)n3)C2)CC1 ZINC000639758551 429972188 /nfs/dbraw/zinc/97/21/88/429972188.db2.gz UXTBLMFHJGTXIX-UHFFFAOYSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(-c4ccco4)on3)C2)CC1 ZINC000639762397 429972879 /nfs/dbraw/zinc/97/28/79/429972879.db2.gz KRKUNHPPBIIFBX-UHFFFAOYSA-N 2 1 301.390 2.852 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C2)CC1 ZINC000639759596 429973115 /nfs/dbraw/zinc/97/31/15/429973115.db2.gz CULCNRQDYQUAPR-UHFFFAOYSA-N 2 1 322.836 2.986 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000573711276 429974698 /nfs/dbraw/zinc/97/46/98/429974698.db2.gz ANSOTHRCPAVLTA-RDTXWAMCSA-N 2 1 313.449 2.826 20 0 DFADMP CCCCNc1cc(C)[nH+]c(N2CCC(c3[nH]cc[nH+]3)CC2)n1 ZINC000631085226 429974943 /nfs/dbraw/zinc/97/49/43/429974943.db2.gz DDPUIHGBTVNENF-UHFFFAOYSA-N 2 1 314.437 3.104 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[NH2+]C3CC3)c2C1 ZINC000573209838 429935147 /nfs/dbraw/zinc/93/51/47/429935147.db2.gz QGVPJIARKYUNLM-UHFFFAOYSA-N 2 1 301.434 2.739 20 0 DFADMP Cc1cccc2nc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cn21 ZINC000639681895 429944430 /nfs/dbraw/zinc/94/44/30/429944430.db2.gz HLKJBOOAOMUDHL-UHFFFAOYSA-N 2 1 321.428 2.750 20 0 DFADMP Cc1cccc2nc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cn21 ZINC000639681895 429944432 /nfs/dbraw/zinc/94/44/32/429944432.db2.gz HLKJBOOAOMUDHL-UHFFFAOYSA-N 2 1 321.428 2.750 20 0 DFADMP O[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000639683681 429946669 /nfs/dbraw/zinc/94/66/69/429946669.db2.gz LGBSQVWMQIRQEI-SFHVURJKSA-N 2 1 303.450 2.535 20 0 DFADMP c1ccc2c(CC[N@H+]3CCCN(c4cc[nH+]cc4)CC3)noc2c1 ZINC000639683099 429947074 /nfs/dbraw/zinc/94/70/74/429947074.db2.gz GYEQHPIIZUTXKE-UHFFFAOYSA-N 2 1 322.412 2.978 20 0 DFADMP COCC[C@@H](c1ccccc1)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574336833 430033561 /nfs/dbraw/zinc/03/35/61/430033561.db2.gz JNOKGDJZYLDBKR-SFHVURJKSA-N 2 1 320.477 2.589 20 0 DFADMP Cn1cncc1CCCN1C[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C1 ZINC000574337292 430033912 /nfs/dbraw/zinc/03/39/12/430033912.db2.gz PMLXTVIBPCAWCJ-AZUAARDMSA-N 2 1 324.472 2.559 20 0 DFADMP Cn1cncc1CCCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000574337292 430033915 /nfs/dbraw/zinc/03/39/15/430033915.db2.gz PMLXTVIBPCAWCJ-AZUAARDMSA-N 2 1 324.472 2.559 20 0 DFADMP Cn1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c(C(F)F)n1 ZINC000361121835 276780580 /nfs/dbraw/zinc/78/05/80/276780580.db2.gz ISEBREMDUWGNEX-UHFFFAOYSA-N 2 1 300.397 2.569 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987890 430046386 /nfs/dbraw/zinc/04/63/86/430046386.db2.gz JHKZONXLEZVIEL-UHFFFAOYSA-N 2 1 309.498 2.633 20 0 DFADMP CCC[C@@]1(CO)CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000574002274 430001110 /nfs/dbraw/zinc/00/11/10/430001110.db2.gz ADSZIZLBVXGVMZ-GOSISDBHSA-N 2 1 314.433 2.560 20 0 DFADMP O[C@]1(C[NH+]2CCC(CCF)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639990579 430048788 /nfs/dbraw/zinc/04/87/88/430048788.db2.gz PZKGWLZRBXISKB-IBGZPJMESA-N 2 1 320.452 2.695 20 0 DFADMP O[C@]1(C[NH+]2CCC(CCF)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639990579 430048792 /nfs/dbraw/zinc/04/87/92/430048792.db2.gz PZKGWLZRBXISKB-IBGZPJMESA-N 2 1 320.452 2.695 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723656 430090407 /nfs/dbraw/zinc/09/04/07/430090407.db2.gz AGUSFAQSFRDAKK-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]CC(C)(C)C3)c1)O[C@@H](C)C2 ZINC000634732196 430093748 /nfs/dbraw/zinc/09/37/48/430093748.db2.gz AKQMICUYQSJDFM-XJKSGUPXSA-N 2 1 318.461 2.886 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000530208675 430104338 /nfs/dbraw/zinc/10/43/38/430104338.db2.gz GPJGCIKBJPXTGP-UHFFFAOYSA-N 2 1 301.356 2.922 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241214 430106846 /nfs/dbraw/zinc/10/68/46/430106846.db2.gz DNELDEQWIWTQEN-ZIAGYGMSSA-N 2 1 302.466 2.520 20 0 DFADMP C[C@H]1C[C@H](C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241213 430107314 /nfs/dbraw/zinc/10/73/14/430107314.db2.gz DNELDEQWIWTQEN-UONOGXRCSA-N 2 1 302.466 2.520 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000560524806 430053713 /nfs/dbraw/zinc/05/37/13/430053713.db2.gz QJLPEHGQNKPINC-MUGJNUQGSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000560524806 430053716 /nfs/dbraw/zinc/05/37/16/430053716.db2.gz QJLPEHGQNKPINC-MUGJNUQGSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@@H](C(=O)NC[C@@H]1CC[NH+]1C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000529720875 430061309 /nfs/dbraw/zinc/06/13/09/430061309.db2.gz SMLBUEGSDZAOQZ-DFGXFYAUSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000529720875 430061314 /nfs/dbraw/zinc/06/13/14/430061314.db2.gz SMLBUEGSDZAOQZ-DFGXFYAUSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000529720875 430061318 /nfs/dbraw/zinc/06/13/18/430061318.db2.gz SMLBUEGSDZAOQZ-DFGXFYAUSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)NC[C@H]1CC[NH+]1C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000529720879 430063040 /nfs/dbraw/zinc/06/30/40/430063040.db2.gz SMLBUEGSDZAOQZ-UIBIWLFHSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000529720879 430063044 /nfs/dbraw/zinc/06/30/44/430063044.db2.gz SMLBUEGSDZAOQZ-UIBIWLFHSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000529720879 430063047 /nfs/dbraw/zinc/06/30/47/430063047.db2.gz SMLBUEGSDZAOQZ-UIBIWLFHSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@]1(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634649038 430065664 /nfs/dbraw/zinc/06/56/64/430065664.db2.gz FDTISNCXNMVSPX-IRXDYDNUSA-N 2 1 324.415 2.648 20 0 DFADMP C[C@]1(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634649038 430065668 /nfs/dbraw/zinc/06/56/68/430065668.db2.gz FDTISNCXNMVSPX-IRXDYDNUSA-N 2 1 324.415 2.648 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CCOC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC000634680149 430075033 /nfs/dbraw/zinc/07/50/33/430075033.db2.gz LWNBOFNKKNYYAB-MRXNPFEDSA-N 2 1 318.465 2.609 20 0 DFADMP CC1(C)C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000634681161 430075046 /nfs/dbraw/zinc/07/50/46/430075046.db2.gz JQFYEWULPKZAEV-MRXNPFEDSA-N 2 1 310.482 2.569 20 0 DFADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561228919 430083232 /nfs/dbraw/zinc/08/32/32/430083232.db2.gz FZLMMGJYJNYBMW-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000562658091 430160695 /nfs/dbraw/zinc/16/06/95/430160695.db2.gz SYUAYARWVYWDDN-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000580951787 430164428 /nfs/dbraw/zinc/16/44/28/430164428.db2.gz NIULMDWVLOENDA-IBGZPJMESA-N 2 1 313.489 2.869 20 0 DFADMP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n(CC2CCC2)n1 ZINC000637906646 430167776 /nfs/dbraw/zinc/16/77/76/430167776.db2.gz WQCVDQYFVOCBIU-UHFFFAOYSA-N 2 1 316.493 2.991 20 0 DFADMP Cc1c([C@H](C)NC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccccc1 ZINC000562316866 430118680 /nfs/dbraw/zinc/11/86/80/430118680.db2.gz HESQUBIKQUBMSC-HOCLYGCPSA-N 2 1 313.449 2.568 20 0 DFADMP c1cnc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)ccc2n1 ZINC000634987504 430183542 /nfs/dbraw/zinc/18/35/42/430183542.db2.gz WQPIPVRDZVBVIA-KRWDZBQOSA-N 2 1 310.445 2.841 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nc(-c4ccco4)no3)C2)CC1 ZINC000370711038 277036635 /nfs/dbraw/zinc/03/66/35/277036635.db2.gz VTJCJMMHYFTZKS-UHFFFAOYSA-N 2 1 316.405 2.637 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289479863 277043733 /nfs/dbraw/zinc/04/37/33/277043733.db2.gz NZTXTLSOUQKHTP-RTBURBONSA-N 2 1 313.489 2.998 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289479863 277043735 /nfs/dbraw/zinc/04/37/35/277043735.db2.gz NZTXTLSOUQKHTP-RTBURBONSA-N 2 1 313.489 2.998 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289479863 277043736 /nfs/dbraw/zinc/04/37/36/277043736.db2.gz NZTXTLSOUQKHTP-RTBURBONSA-N 2 1 313.489 2.998 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)CC12CC(C1)C[NH2+]2 ZINC000634993021 430185762 /nfs/dbraw/zinc/18/57/62/430185762.db2.gz IZFTZLYHHCJJJJ-HDYDNRTBSA-N 2 1 313.489 2.582 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(N)=[NH2+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265045 277053386 /nfs/dbraw/zinc/05/33/86/277053386.db2.gz VBCAVCDSFPUEQS-WCQYABFASA-N 2 1 314.355 2.571 20 0 DFADMP Clc1ccccc1N1CCC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634995319 430186686 /nfs/dbraw/zinc/18/66/86/430186686.db2.gz APJPUYBGMBZHSO-XOYHFGRZSA-N 2 1 305.853 2.650 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244865 277059922 /nfs/dbraw/zinc/05/99/22/277059922.db2.gz DYISIGCXXRQRDV-RTBURBONSA-N 2 1 302.462 2.804 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244865 277059924 /nfs/dbraw/zinc/05/99/24/277059924.db2.gz DYISIGCXXRQRDV-RTBURBONSA-N 2 1 302.462 2.804 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244865 277059925 /nfs/dbraw/zinc/05/99/25/277059925.db2.gz DYISIGCXXRQRDV-RTBURBONSA-N 2 1 302.462 2.804 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000163244865 277059927 /nfs/dbraw/zinc/05/99/27/277059927.db2.gz DYISIGCXXRQRDV-RTBURBONSA-N 2 1 302.462 2.804 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)Cc2ccsc2)CC1 ZINC000541225183 430187199 /nfs/dbraw/zinc/18/71/99/430187199.db2.gz GSRZHJMDZCCAQL-HUUCEWRRSA-N 2 1 310.507 2.704 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000247971081 277069042 /nfs/dbraw/zinc/06/90/42/277069042.db2.gz JKORVIJPGZBFLN-OIISXLGYSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000247971081 277069043 /nfs/dbraw/zinc/06/90/43/277069043.db2.gz JKORVIJPGZBFLN-OIISXLGYSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000247971081 277069044 /nfs/dbraw/zinc/06/90/44/277069044.db2.gz JKORVIJPGZBFLN-OIISXLGYSA-N 2 1 308.853 2.790 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367738362 277073373 /nfs/dbraw/zinc/07/33/73/277073373.db2.gz UAKQOJXDCUMTIM-OTWHNJEPSA-N 2 1 315.461 2.650 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC000282267035 277106444 /nfs/dbraw/zinc/10/64/44/277106444.db2.gz KFPQCNHLHBWFBV-INIZCTEOSA-N 2 1 323.431 2.568 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000634999285 430190181 /nfs/dbraw/zinc/19/01/81/430190181.db2.gz RYWUTEZVSBYCFJ-CZUORRHYSA-N 2 1 318.852 2.611 20 0 DFADMP C[N@H+](CCCC[NH+]1CCCCC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000640533210 430191192 /nfs/dbraw/zinc/19/11/92/430191192.db2.gz PCUCPNJFJWMYNW-QGZVFWFLSA-N 2 1 321.440 2.550 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H](C(N)=O)c1ccc(F)cc1 ZINC000640533210 430191195 /nfs/dbraw/zinc/19/11/95/430191195.db2.gz PCUCPNJFJWMYNW-QGZVFWFLSA-N 2 1 321.440 2.550 20 0 DFADMP C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000635003229 430191426 /nfs/dbraw/zinc/19/14/26/430191426.db2.gz ASWKKHMMLZZSEE-IPHYIZQQSA-N 2 1 321.262 2.817 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)COc1ccccc1 ZINC000640530627 430191933 /nfs/dbraw/zinc/19/19/33/430191933.db2.gz ACUSXVXVQFDXDX-SFHVURJKSA-N 2 1 320.477 2.624 20 0 DFADMP CC(C)N(C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1)C(C)C ZINC000640531075 430192326 /nfs/dbraw/zinc/19/23/26/430192326.db2.gz DIVUPEKCLXVRHQ-UHFFFAOYSA-N 2 1 311.514 2.830 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530939 430192800 /nfs/dbraw/zinc/19/28/00/430192800.db2.gz IZVGXSVMCHMTFX-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005633 430193678 /nfs/dbraw/zinc/19/36/78/430193678.db2.gz VUQKECUSDZVZFN-PYXOFJJQSA-N 3 1 315.505 2.862 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005633 430193683 /nfs/dbraw/zinc/19/36/83/430193683.db2.gz VUQKECUSDZVZFN-PYXOFJJQSA-N 2 1 315.505 2.862 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000640534694 430193962 /nfs/dbraw/zinc/19/39/62/430193962.db2.gz RVYDLZOKOFBISQ-RCCFBDPRSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000635004614 430194162 /nfs/dbraw/zinc/19/41/62/430194162.db2.gz PVSBKVMHAZPYTN-ZHALLVOQSA-N 3 1 303.494 2.862 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000635004614 430194164 /nfs/dbraw/zinc/19/41/64/430194164.db2.gz PVSBKVMHAZPYTN-ZHALLVOQSA-N 2 1 303.494 2.862 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000635010865 430195447 /nfs/dbraw/zinc/19/54/47/430195447.db2.gz NSDVYNVGCAJUAT-UHFFFAOYSA-N 3 1 301.478 2.685 20 0 DFADMP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000635008216 430195859 /nfs/dbraw/zinc/19/58/59/430195859.db2.gz SHQGINBFEXZIOM-SAABIXHNSA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+][C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000635008160 430196190 /nfs/dbraw/zinc/19/61/90/430196190.db2.gz QWBZARKLTQDMCX-UAFMIMERSA-N 3 1 315.505 2.847 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000635014512 430198787 /nfs/dbraw/zinc/19/87/87/430198787.db2.gz WJVFICHVQTXUSG-YPMHNXCESA-N 2 1 305.809 2.574 20 0 DFADMP O=c1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c[nH]1 ZINC000638020769 430207443 /nfs/dbraw/zinc/20/74/43/430207443.db2.gz AFQKSZHUBXOPLJ-KRWDZBQOSA-N 2 1 303.450 2.875 20 0 DFADMP O=c1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c[nH]1 ZINC000638020769 430207448 /nfs/dbraw/zinc/20/74/48/430207448.db2.gz AFQKSZHUBXOPLJ-KRWDZBQOSA-N 2 1 303.450 2.875 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353631566 277332341 /nfs/dbraw/zinc/33/23/41/277332341.db2.gz LYBDKPMRRITBNP-XWTMOSNGSA-N 2 1 306.425 2.976 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000565745936 430224128 /nfs/dbraw/zinc/22/41/28/430224128.db2.gz QLQJBJHMMRCQRS-HSBZDZAISA-N 2 1 310.404 2.932 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000565745936 430224132 /nfs/dbraw/zinc/22/41/32/430224132.db2.gz QLQJBJHMMRCQRS-HSBZDZAISA-N 2 1 310.404 2.932 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000638064392 430224623 /nfs/dbraw/zinc/22/46/23/430224623.db2.gz SYRZBCWDJNEKQI-HZPDHXFCSA-N 2 1 317.477 2.675 20 0 DFADMP CCCc1cc(N2CC[N@@H+]3CCOC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000542553729 430217039 /nfs/dbraw/zinc/21/70/39/430217039.db2.gz HTIPQOIPASEIKZ-INIZCTEOSA-N 2 1 311.429 2.708 20 0 DFADMP CCCc1cc(N2CC[N@H+]3CCOC[C@@H]3C2)c2ccccc2[nH+]1 ZINC000542553729 430217043 /nfs/dbraw/zinc/21/70/43/430217043.db2.gz HTIPQOIPASEIKZ-INIZCTEOSA-N 2 1 311.429 2.708 20 0 DFADMP C[C@H](C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000635275921 430242951 /nfs/dbraw/zinc/24/29/51/430242951.db2.gz BIBSTKAUMACIKG-CJNGLKHVSA-N 2 1 323.868 2.543 20 0 DFADMP Fc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1Br ZINC000581834618 430243552 /nfs/dbraw/zinc/24/35/52/430243552.db2.gz UUHYEYZJAQOZKX-UHFFFAOYSA-N 2 1 301.203 2.774 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406961 430284549 /nfs/dbraw/zinc/28/45/49/430284549.db2.gz XUHPFOZTIJGWQM-YQVWRLOYSA-N 2 1 319.493 2.938 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)C1C[NH2+]C1 ZINC000581878562 430247264 /nfs/dbraw/zinc/24/72/64/430247264.db2.gz OHTQSKZTZGVLIC-CQSZACIVSA-N 2 1 315.461 2.903 20 0 DFADMP CC(C)c1[nH+]c(CNC[C@H]2CCC[N@H+](C)C2)c2ccccn21 ZINC000581888495 430248533 /nfs/dbraw/zinc/24/85/33/430248533.db2.gz IOXBBLLRLXMCDK-OAHLLOKOSA-N 2 1 300.450 2.889 20 0 DFADMP CC(C)c1[nH+]c(CNC[C@H]2CCC[N@@H+](C)C2)c2ccccn21 ZINC000581888495 430248537 /nfs/dbraw/zinc/24/85/37/430248537.db2.gz IOXBBLLRLXMCDK-OAHLLOKOSA-N 2 1 300.450 2.889 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc(C)c1OC(F)F ZINC000566230289 430249376 /nfs/dbraw/zinc/24/93/76/430249376.db2.gz ZSBVZFQEVCPNNI-CABCVRRESA-N 2 1 310.388 2.946 20 0 DFADMP COc1cccc(OC)c1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000638175992 430261796 /nfs/dbraw/zinc/26/17/96/430261796.db2.gz BDDUMROKVHUXQM-GDBMZVCRSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000638175992 430261799 /nfs/dbraw/zinc/26/17/99/430261799.db2.gz BDDUMROKVHUXQM-GDBMZVCRSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000638175992 430261804 /nfs/dbraw/zinc/26/18/04/430261804.db2.gz BDDUMROKVHUXQM-GDBMZVCRSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000638175992 430261807 /nfs/dbraw/zinc/26/18/07/430261807.db2.gz BDDUMROKVHUXQM-GDBMZVCRSA-N 2 1 304.434 2.620 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)[NH+]1CC(C)C1 ZINC000566435449 430263083 /nfs/dbraw/zinc/26/30/83/430263083.db2.gz JDEVWFNVHKZJGT-INIZCTEOSA-N 2 1 315.461 2.604 20 0 DFADMP COc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000638183612 430264636 /nfs/dbraw/zinc/26/46/36/430264636.db2.gz VGEUBPCFWIXZFU-SZVBFZGTSA-N 2 1 318.461 2.687 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582062705 430266209 /nfs/dbraw/zinc/26/62/09/430266209.db2.gz WRIPQJIBOUIICJ-LJQANCHMSA-N 2 1 310.445 2.756 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582062705 430266212 /nfs/dbraw/zinc/26/62/12/430266212.db2.gz WRIPQJIBOUIICJ-LJQANCHMSA-N 2 1 310.445 2.756 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000566482467 430266584 /nfs/dbraw/zinc/26/65/84/430266584.db2.gz NWGLIAREMNIDIB-CEXWTWQISA-N 2 1 301.478 2.757 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)C1CC1 ZINC000566482467 430266587 /nfs/dbraw/zinc/26/65/87/430266587.db2.gz NWGLIAREMNIDIB-CEXWTWQISA-N 2 1 301.478 2.757 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000638254410 430285286 /nfs/dbraw/zinc/28/52/86/430285286.db2.gz FLOWWUGHNOSLQL-GOSISDBHSA-N 2 1 323.440 2.867 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000638082261 430229647 /nfs/dbraw/zinc/22/96/47/430229647.db2.gz GRHSWUMWWOSMPY-WOJBJXKFSA-N 2 1 316.489 2.959 20 0 DFADMP Cc1cc(C[NH3+])oc1C(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638084648 430230241 /nfs/dbraw/zinc/23/02/41/430230241.db2.gz UHWPGSZVXZHYOU-BETUJISGSA-N 2 1 321.465 2.533 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666448 430231252 /nfs/dbraw/zinc/23/12/52/430231252.db2.gz DSUZNJZLPMYZRW-OKZBNKHCSA-N 2 1 300.446 2.951 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666448 430231256 /nfs/dbraw/zinc/23/12/56/430231256.db2.gz DSUZNJZLPMYZRW-OKZBNKHCSA-N 2 1 300.446 2.951 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000638086987 430232320 /nfs/dbraw/zinc/23/23/20/430232320.db2.gz YSSJKXVBCQOBKO-BZSNNMDCSA-N 2 1 323.525 2.863 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(OC)cccc2OC)[C@H](C)C1 ZINC000638110985 430239512 /nfs/dbraw/zinc/23/95/12/430239512.db2.gz ATTPQWCABCCBST-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP c1ccc(N2CC[C@@H](C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113326 430240247 /nfs/dbraw/zinc/24/02/47/430240247.db2.gz RSPIEMGAFYOTEU-MOPGFXCFSA-N 2 1 313.489 2.931 20 0 DFADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccc2ccccc2c1 ZINC000566108656 430240650 /nfs/dbraw/zinc/24/06/50/430240650.db2.gz XKMUCYGIZSFIFM-NRFANRHFSA-N 2 1 324.468 2.960 20 0 DFADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(C)c1OC ZINC000582932424 430348856 /nfs/dbraw/zinc/34/88/56/430348856.db2.gz DUNAFNGAPMEOBQ-CZUORRHYSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c(C)c1OC ZINC000582932424 430348858 /nfs/dbraw/zinc/34/88/58/430348858.db2.gz DUNAFNGAPMEOBQ-CZUORRHYSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c(C)c1OC ZINC000582932424 430348861 /nfs/dbraw/zinc/34/88/61/430348861.db2.gz DUNAFNGAPMEOBQ-CZUORRHYSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1OC ZINC000582932424 430348863 /nfs/dbraw/zinc/34/88/63/430348863.db2.gz DUNAFNGAPMEOBQ-CZUORRHYSA-N 2 1 306.450 2.784 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000567747882 430288245 /nfs/dbraw/zinc/28/82/45/430288245.db2.gz CMGAWXTVDLAZBM-INDMIFKZSA-N 2 1 302.462 2.567 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000567747882 430288249 /nfs/dbraw/zinc/28/82/49/430288249.db2.gz CMGAWXTVDLAZBM-INDMIFKZSA-N 2 1 302.462 2.567 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000567747882 430288251 /nfs/dbraw/zinc/28/82/51/430288251.db2.gz CMGAWXTVDLAZBM-INDMIFKZSA-N 2 1 302.462 2.567 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000567747882 430288254 /nfs/dbraw/zinc/28/82/54/430288254.db2.gz CMGAWXTVDLAZBM-INDMIFKZSA-N 2 1 302.462 2.567 20 0 DFADMP Cc1ccc2cc[nH+]c(NCCC[NH2+]Cc3cccnc3)c2c1 ZINC000567879538 430291430 /nfs/dbraw/zinc/29/14/30/430291430.db2.gz VMMAYQMDAKXAOC-UHFFFAOYSA-N 2 1 306.413 3.530 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582367786 430294154 /nfs/dbraw/zinc/29/41/54/430294154.db2.gz DOVZKLOUJBMDNC-QAPCUYQASA-N 2 1 308.441 2.708 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1 ZINC000582367786 430294157 /nfs/dbraw/zinc/29/41/57/430294157.db2.gz DOVZKLOUJBMDNC-QAPCUYQASA-N 2 1 308.441 2.708 20 0 DFADMP CN(C)c1[nH+]ccc2cc(NC(=O)CCCC[NH+](C)C)ccc21 ZINC000582402123 430295735 /nfs/dbraw/zinc/29/57/35/430295735.db2.gz GBKPJVUYIGPQIN-UHFFFAOYSA-N 2 1 314.433 2.971 20 0 DFADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000638308543 430301149 /nfs/dbraw/zinc/30/11/49/430301149.db2.gz KBSHUOJMLZVAAS-WMZOPIPTSA-N 2 1 317.477 2.545 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000641169110 430350424 /nfs/dbraw/zinc/35/04/24/430350424.db2.gz KCGORHLDXLUZJG-FUHWJXTLSA-N 2 1 313.449 2.589 20 0 DFADMP C[N@@H+](CC(=O)N[C@H](CCC[NH3+])c1ccccc1)CC(C)(C)C ZINC000638330257 430306835 /nfs/dbraw/zinc/30/68/35/430306835.db2.gz UBORAMVKZRGLBY-MRXNPFEDSA-N 2 1 305.466 2.561 20 0 DFADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000638365570 430318061 /nfs/dbraw/zinc/31/80/61/430318061.db2.gz GBBDADOZVYTKBS-FUHWJXTLSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000638365082 430318519 /nfs/dbraw/zinc/31/85/19/430318519.db2.gz APRWZTBGFJVUPK-IKGGRYGDSA-N 2 1 309.498 2.678 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000568107504 430318871 /nfs/dbraw/zinc/31/88/71/430318871.db2.gz OXSJNEKHJYCUQE-QRVBRYPASA-N 2 1 301.478 2.991 20 0 DFADMP CO[C@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000638366567 430319402 /nfs/dbraw/zinc/31/94/02/430319402.db2.gz OJUYVPIGCWOOIC-SJLPKXTDSA-N 2 1 312.498 2.530 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000638365084 430319455 /nfs/dbraw/zinc/31/94/55/430319455.db2.gz APRWZTBGFJVUPK-ZACQAIPSSA-N 2 1 309.498 2.678 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638369943 430320752 /nfs/dbraw/zinc/32/07/52/430320752.db2.gz JPCMSJXACAKLMM-XDNAFOTISA-N 2 1 323.525 2.781 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000568166756 430322802 /nfs/dbraw/zinc/32/28/02/430322802.db2.gz RYVVAURDWQHDKY-QGZVFWFLSA-N 2 1 323.444 2.867 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000568166756 430322806 /nfs/dbraw/zinc/32/28/06/430322806.db2.gz RYVVAURDWQHDKY-QGZVFWFLSA-N 2 1 323.444 2.867 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2CC(n3cccn3)C2)C1 ZINC000638407326 430333343 /nfs/dbraw/zinc/33/33/43/430333343.db2.gz GLUXQLAJQCQJTR-RYTJFDOTSA-N 2 1 304.482 2.933 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638409113 430333543 /nfs/dbraw/zinc/33/35/43/430333543.db2.gz JDRPFTQHXDEFNG-QZTJIDSGSA-N 2 1 301.478 2.834 20 0 DFADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000582899478 430345800 /nfs/dbraw/zinc/34/58/00/430345800.db2.gz PHQXMHCGVAWRHN-MAUKXSAKSA-N 2 1 316.420 2.751 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[C@H]3C[NH3+])c2)C[C@H](C)O1 ZINC000582899179 430346039 /nfs/dbraw/zinc/34/60/39/430346039.db2.gz BCHGIJJYKGBMQZ-JHDROBOHSA-N 2 1 317.477 2.835 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000583640994 430414927 /nfs/dbraw/zinc/41/49/27/430414927.db2.gz ATSAEWGNYCZEFJ-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000547738197 430415821 /nfs/dbraw/zinc/41/58/21/430415821.db2.gz JDNNSZXKLXMPOF-OAHLLOKOSA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)c1[nH+]c(CN2CCC[C@H]3C[N@H+](C)C[C@H]32)c2ccccn21 ZINC000569010293 430416045 /nfs/dbraw/zinc/41/60/45/430416045.db2.gz LZZICRJXNBZSET-MAUKXSAKSA-N 2 1 312.461 2.984 20 0 DFADMP CC(C)c1[nH+]c(CN2CCC[C@H]3C[N@@H+](C)C[C@H]32)c2ccccn21 ZINC000569010293 430416048 /nfs/dbraw/zinc/41/60/48/430416048.db2.gz LZZICRJXNBZSET-MAUKXSAKSA-N 2 1 312.461 2.984 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635713246 430355335 /nfs/dbraw/zinc/35/53/35/430355335.db2.gz ZVSTYEGVMZTUPV-QGZVFWFLSA-N 2 1 315.461 2.871 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(O[C@H]2CCOC2)c1 ZINC000583018722 430356334 /nfs/dbraw/zinc/35/63/34/430356334.db2.gz JXNFQMVRULRSHJ-OKZBNKHCSA-N 2 1 318.461 2.912 20 0 DFADMP CC(C)C[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC(C)C)n1ccnc1 ZINC000635729051 430361838 /nfs/dbraw/zinc/36/18/38/430361838.db2.gz ZNYALRVNXCVJGX-SJORKVTESA-N 2 1 320.481 2.707 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000568507931 430364869 /nfs/dbraw/zinc/36/48/69/430364869.db2.gz PKDKXTLRMMYFNY-JSGCOSHPSA-N 2 1 324.494 2.831 20 0 DFADMP CCC[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521308 430366294 /nfs/dbraw/zinc/36/62/94/430366294.db2.gz GKIJCECOKDENHP-RBUKOAKNSA-N 2 1 304.478 2.956 20 0 DFADMP CC[C@@](C)(C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)OC ZINC000638523248 430366988 /nfs/dbraw/zinc/36/69/88/430366988.db2.gz DMUGNMYSTVZHQW-SFHVURJKSA-N 2 1 323.481 2.908 20 0 DFADMP COC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000376651887 277600889 /nfs/dbraw/zinc/60/08/89/277600889.db2.gz NWKBCMXJEZDOPA-GJZGRUSLSA-N 2 1 305.809 2.829 20 0 DFADMP Cc1cnccc1CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000583201247 430374949 /nfs/dbraw/zinc/37/49/49/430374949.db2.gz ARENSDKQDGMGAF-LJQANCHMSA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cnccc1CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000583201247 430374956 /nfs/dbraw/zinc/37/49/56/430374956.db2.gz ARENSDKQDGMGAF-LJQANCHMSA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cnccc1CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000583201247 430374962 /nfs/dbraw/zinc/37/49/62/430374962.db2.gz ARENSDKQDGMGAF-LJQANCHMSA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cnccc1CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000583201247 430374965 /nfs/dbraw/zinc/37/49/65/430374965.db2.gz ARENSDKQDGMGAF-LJQANCHMSA-N 2 1 324.472 2.781 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568618667 430376178 /nfs/dbraw/zinc/37/61/78/430376178.db2.gz OKXBVZGTCJJOBA-XHSDSOJGSA-N 2 1 307.507 2.863 20 0 DFADMP CO[C@H](C[NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CCCCC1 ZINC000638559141 430376781 /nfs/dbraw/zinc/37/67/81/430376781.db2.gz SMKHBRBDSGFWJU-GOSISDBHSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000635787421 430376958 /nfs/dbraw/zinc/37/69/58/430376958.db2.gz MVQNVGYSKDVEBD-CVEARBPZSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000635787421 430376962 /nfs/dbraw/zinc/37/69/62/430376962.db2.gz MVQNVGYSKDVEBD-CVEARBPZSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000635787421 430376965 /nfs/dbraw/zinc/37/69/65/430376965.db2.gz MVQNVGYSKDVEBD-CVEARBPZSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(-n2cccn2)cc1 ZINC000583329775 430386155 /nfs/dbraw/zinc/38/61/55/430386155.db2.gz BHGVJPXRCWUDPU-OAHLLOKOSA-N 2 1 309.417 2.889 20 0 DFADMP CC(C)(C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)Oc1ccccc1 ZINC000638620514 430391897 /nfs/dbraw/zinc/39/18/97/430391897.db2.gz RWPFNVFCGZQZRX-QGZVFWFLSA-N 2 1 320.477 2.671 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000635850049 430393390 /nfs/dbraw/zinc/39/33/90/430393390.db2.gz TWFSOVZDZNAGDC-INIZCTEOSA-N 2 1 303.450 2.809 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497165 430401758 /nfs/dbraw/zinc/40/17/58/430401758.db2.gz YAERBCNTOXRESZ-WVRJYTFGSA-N 2 1 303.450 2.767 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497165 430401762 /nfs/dbraw/zinc/40/17/62/430401762.db2.gz YAERBCNTOXRESZ-WVRJYTFGSA-N 2 1 303.450 2.767 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497165 430401765 /nfs/dbraw/zinc/40/17/65/430401765.db2.gz YAERBCNTOXRESZ-WVRJYTFGSA-N 2 1 303.450 2.767 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CC[C@H]1CCCC[NH+]1C ZINC000583518660 430403520 /nfs/dbraw/zinc/40/35/20/430403520.db2.gz GWNGPXVTFYZMPM-IAGOWNOFSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1CC)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000583518660 430403523 /nfs/dbraw/zinc/40/35/23/430403523.db2.gz GWNGPXVTFYZMPM-IAGOWNOFSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1CC)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000583518660 430403528 /nfs/dbraw/zinc/40/35/28/430403528.db2.gz GWNGPXVTFYZMPM-IAGOWNOFSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638676623 430406514 /nfs/dbraw/zinc/40/65/14/430406514.db2.gz OGCIHTISIIXCIW-LORHWOILSA-N 2 1 302.462 2.961 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638676623 430406518 /nfs/dbraw/zinc/40/65/18/430406518.db2.gz OGCIHTISIIXCIW-LORHWOILSA-N 2 1 302.462 2.961 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000569256712 430436908 /nfs/dbraw/zinc/43/69/08/430436908.db2.gz LYXBLUNPLJKPOT-INIZCTEOSA-N 2 1 315.461 2.870 20 0 DFADMP CC[NH+]1CCC(N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548060936 430443619 /nfs/dbraw/zinc/44/36/19/430443619.db2.gz OPQGQMCGXLYZND-UHFFFAOYSA-N 2 1 309.498 2.584 20 0 DFADMP Cc1cc(N[C@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153562 430451157 /nfs/dbraw/zinc/45/11/57/430451157.db2.gz AGYBOMPLEZKKKQ-VQIMIIECSA-N 2 1 311.429 2.513 20 0 DFADMP Cc1cc(N[C@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153562 430451162 /nfs/dbraw/zinc/45/11/62/430451162.db2.gz AGYBOMPLEZKKKQ-VQIMIIECSA-N 2 1 311.429 2.513 20 0 DFADMP CC[C@H](CSc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000569476257 430457135 /nfs/dbraw/zinc/45/71/35/430457135.db2.gz UBCJXIGNCODEMX-GDBMZVCRSA-N 2 1 308.491 2.602 20 0 DFADMP CC[C@H](CSc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000569476257 430457140 /nfs/dbraw/zinc/45/71/40/430457140.db2.gz UBCJXIGNCODEMX-GDBMZVCRSA-N 2 1 308.491 2.602 20 0 DFADMP CSc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000641742516 430458470 /nfs/dbraw/zinc/45/84/70/430458470.db2.gz HBDVUASMENTUFE-UHFFFAOYSA-N 2 1 321.446 2.627 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CC3(F)F)CC2)nc(C)[nH+]1 ZINC000638874453 430463850 /nfs/dbraw/zinc/46/38/50/430463850.db2.gz TYGUSKBKISNHSK-BXUZGUMPSA-N 2 1 310.392 2.696 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH3+])[C@H](C)C2)cc1 ZINC000638895204 430469690 /nfs/dbraw/zinc/46/96/90/430469690.db2.gz SQRNPBHEDIAZSU-CRAIPNDOSA-N 2 1 317.477 2.585 20 0 DFADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000641801224 430476378 /nfs/dbraw/zinc/47/63/78/430476378.db2.gz NZTHTWQUSJTWPU-ROUUACIJSA-N 2 1 311.429 2.876 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000641803671 430477854 /nfs/dbraw/zinc/47/78/54/430477854.db2.gz DIWMKGRMUKGYRW-MNOVXSKESA-N 2 1 316.232 2.647 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000583740553 430423729 /nfs/dbraw/zinc/42/37/29/430423729.db2.gz YGEHTAPCOQMLPA-IUODEOHRSA-N 2 1 309.841 2.789 20 0 DFADMP C[NH+]1CCN(CCCC[NH2+]Cc2sccc2Cl)CC1 ZINC000569178822 430427950 /nfs/dbraw/zinc/42/79/50/430427950.db2.gz NAIYFZLIGUTATN-UHFFFAOYSA-N 2 1 301.887 2.519 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000583789576 430428359 /nfs/dbraw/zinc/42/83/59/430428359.db2.gz NNIDXWRHEMVVTF-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000583789576 430428363 /nfs/dbraw/zinc/42/83/63/430428363.db2.gz NNIDXWRHEMVVTF-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000583789576 430428368 /nfs/dbraw/zinc/42/83/68/430428368.db2.gz NNIDXWRHEMVVTF-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000636203749 430486153 /nfs/dbraw/zinc/48/61/53/430486153.db2.gz YOVUEHAGFMKJQL-CRAIPNDOSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636203749 430486156 /nfs/dbraw/zinc/48/61/56/430486156.db2.gz YOVUEHAGFMKJQL-CRAIPNDOSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636203749 430486158 /nfs/dbraw/zinc/48/61/58/430486158.db2.gz YOVUEHAGFMKJQL-CRAIPNDOSA-N 2 1 319.493 2.527 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@H](C)[N@H+](C)C[C@@H]2C)c2ccccn21 ZINC000569817352 430488423 /nfs/dbraw/zinc/48/84/23/430488423.db2.gz KTCWRBDTAZOFKR-GJZGRUSLSA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@H](C)[N@@H+](C)C[C@@H]2C)c2ccccn21 ZINC000569817352 430488428 /nfs/dbraw/zinc/48/84/28/430488428.db2.gz KTCWRBDTAZOFKR-GJZGRUSLSA-N 2 1 300.450 2.982 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1conc1Cc1ccccc1)C2 ZINC000550199050 430540652 /nfs/dbraw/zinc/54/06/52/430540652.db2.gz PUMVZCOSQCZHFL-MRXNPFEDSA-N 2 1 322.412 2.814 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000548716789 430494436 /nfs/dbraw/zinc/49/44/36/430494436.db2.gz GDESCYNXCJDBMO-AEFFLSMTSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000548716789 430494440 /nfs/dbraw/zinc/49/44/40/430494440.db2.gz GDESCYNXCJDBMO-AEFFLSMTSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000548716789 430494443 /nfs/dbraw/zinc/49/44/43/430494443.db2.gz GDESCYNXCJDBMO-AEFFLSMTSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)[C@H](C)C1 ZINC000548716791 430494571 /nfs/dbraw/zinc/49/45/71/430494571.db2.gz GDESCYNXCJDBMO-SJLPKXTDSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000548716791 430494576 /nfs/dbraw/zinc/49/45/76/430494576.db2.gz GDESCYNXCJDBMO-SJLPKXTDSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)[C@H](C)C1 ZINC000548716791 430494579 /nfs/dbraw/zinc/49/45/79/430494579.db2.gz GDESCYNXCJDBMO-SJLPKXTDSA-N 2 1 323.525 2.830 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(C)(C)c2c[nH]cn2)C1 ZINC000548748191 430497869 /nfs/dbraw/zinc/49/78/69/430497869.db2.gz KTFKITQEGYKBLG-AWEZNQCLSA-N 2 1 320.481 2.704 20 0 DFADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C(C)(C)c2cnc[nH]2)C1 ZINC000548748191 430497874 /nfs/dbraw/zinc/49/78/74/430497874.db2.gz KTFKITQEGYKBLG-AWEZNQCLSA-N 2 1 320.481 2.704 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1CCc1ccccc1 ZINC000569937766 430499593 /nfs/dbraw/zinc/49/95/93/430499593.db2.gz NNHPYVCZRZTXOM-MOPGFXCFSA-N 2 1 304.478 2.786 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000569950365 430501507 /nfs/dbraw/zinc/50/15/07/430501507.db2.gz MPOCDVQBEBUDRL-AWEZNQCLSA-N 2 1 314.433 2.547 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000548918374 430510053 /nfs/dbraw/zinc/51/00/53/430510053.db2.gz PRKPXAROWRTJRG-ZWKOTPCHSA-N 2 1 324.509 2.911 20 0 DFADMP C[N@@H+](Cc1ccnn1CC1CCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639075886 430512514 /nfs/dbraw/zinc/51/25/14/430512514.db2.gz CINYJDBOKDCPFS-MRXNPFEDSA-N 2 1 313.449 2.574 20 0 DFADMP C[N@H+](Cc1ccnn1CC1CCC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639075886 430512518 /nfs/dbraw/zinc/51/25/18/430512518.db2.gz CINYJDBOKDCPFS-MRXNPFEDSA-N 2 1 313.449 2.574 20 0 DFADMP CC[C@@](C)(C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639079533 430513982 /nfs/dbraw/zinc/51/39/82/430513982.db2.gz FTTCZTXONREICN-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@](C)(C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639079533 430513984 /nfs/dbraw/zinc/51/39/84/430513984.db2.gz FTTCZTXONREICN-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@](C)(C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639079533 430513988 /nfs/dbraw/zinc/51/39/88/430513988.db2.gz FTTCZTXONREICN-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@](C)(C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639079533 430513991 /nfs/dbraw/zinc/51/39/91/430513991.db2.gz FTTCZTXONREICN-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@](C)(C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639079533 430513994 /nfs/dbraw/zinc/51/39/94/430513994.db2.gz FTTCZTXONREICN-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccnn2CC2CCC2)CC1 ZINC000639081813 430517978 /nfs/dbraw/zinc/51/79/78/430517978.db2.gz LZVIRUFQHJZQIR-UHFFFAOYSA-N 2 1 302.466 2.743 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccnn2CC2CCC2)CC1 ZINC000639081813 430517983 /nfs/dbraw/zinc/51/79/83/430517983.db2.gz LZVIRUFQHJZQIR-UHFFFAOYSA-N 2 1 302.466 2.743 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000570174116 430519987 /nfs/dbraw/zinc/51/99/87/430519987.db2.gz YGGFYYWEXQFSAS-FZMZJTMJSA-N 2 1 320.824 2.744 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000599314580 430529445 /nfs/dbraw/zinc/52/94/45/430529445.db2.gz IADCBGUCSVKTOB-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@H+](CC2CCCCC2)CC1 ZINC000599314580 430529447 /nfs/dbraw/zinc/52/94/47/430529447.db2.gz IADCBGUCSVKTOB-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@H]1C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000599314580 430529452 /nfs/dbraw/zinc/52/94/52/430529452.db2.gz IADCBGUCSVKTOB-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP c1cnn(C2CC([NH2+]C[C@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000639117263 430530553 /nfs/dbraw/zinc/53/05/53/430530553.db2.gz FECNKSBBHRLSJH-LMDPOFIKSA-N 2 1 310.445 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]CC(C)(C)Oc2ccccc2)CCCO1 ZINC000639115371 430530800 /nfs/dbraw/zinc/53/08/00/430530800.db2.gz BWULYPFNTLDIHT-QGZVFWFLSA-N 2 1 320.477 2.935 20 0 DFADMP OC[C@@H](CC(F)F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570331967 430532970 /nfs/dbraw/zinc/53/29/70/430532970.db2.gz WGDSCZLMWLCNCT-HZPDHXFCSA-N 2 1 324.415 2.789 20 0 DFADMP OC[C@@H](CC(F)F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570331967 430532973 /nfs/dbraw/zinc/53/29/73/430532973.db2.gz WGDSCZLMWLCNCT-HZPDHXFCSA-N 2 1 324.415 2.789 20 0 DFADMP CN(c1cc[nH+]c2cc(Br)ccc21)[C@H]1CC[NH2+]C1 ZINC000643006992 430541921 /nfs/dbraw/zinc/54/19/21/430541921.db2.gz IPQWXXTYIXLAPE-NSHDSACASA-N 2 1 306.207 2.795 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1(C)C ZINC000639135589 430538892 /nfs/dbraw/zinc/53/88/92/430538892.db2.gz FHLIYSPHNWRYPE-UYAOXDASSA-N 2 1 315.505 2.796 20 0 DFADMP O=C(CCN[C@@H]1CC[N@H+]2CCCC[C@@H]12)Nc1cccc(Cl)c1 ZINC000570391238 430538927 /nfs/dbraw/zinc/53/89/27/430538927.db2.gz PLHSMIZOOAFJEG-CVEARBPZSA-N 2 1 321.852 2.885 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)Nc1cccc(Cl)c1 ZINC000570391238 430538936 /nfs/dbraw/zinc/53/89/36/430538936.db2.gz PLHSMIZOOAFJEG-CVEARBPZSA-N 2 1 321.852 2.885 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]c2ncncc12 ZINC000639177466 430554902 /nfs/dbraw/zinc/55/49/02/430554902.db2.gz UMBHOPKEGWHUMK-UHFFFAOYSA-N 2 1 312.421 2.581 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]c2ncncc12 ZINC000639177466 430554907 /nfs/dbraw/zinc/55/49/07/430554907.db2.gz UMBHOPKEGWHUMK-UHFFFAOYSA-N 2 1 312.421 2.581 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@H](C)c3c[nH+]ccc3N)c2c1 ZINC000643453978 430602536 /nfs/dbraw/zinc/60/25/36/430602536.db2.gz QRIMZOHILPYJRL-GFCCVEGCSA-N 2 1 310.401 2.877 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570681944 430565768 /nfs/dbraw/zinc/56/57/68/430565768.db2.gz KPONGYJEFRVPSM-BQFCYCMXSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570681944 430565772 /nfs/dbraw/zinc/56/57/72/430565772.db2.gz KPONGYJEFRVPSM-BQFCYCMXSA-N 2 1 302.462 2.933 20 0 DFADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000570709419 430570135 /nfs/dbraw/zinc/57/01/35/430570135.db2.gz WQDSPRLQXBPWEW-WFASDCNBSA-N 2 1 310.388 2.907 20 0 DFADMP CC[C@H](C)[C@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639209963 430571992 /nfs/dbraw/zinc/57/19/92/430571992.db2.gz BVHXGFYEPPWCAX-AQDBYXPISA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@H](C)[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639209963 430571995 /nfs/dbraw/zinc/57/19/95/430571995.db2.gz BVHXGFYEPPWCAX-AQDBYXPISA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@H](C)[C@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639209963 430571999 /nfs/dbraw/zinc/57/19/99/430571999.db2.gz BVHXGFYEPPWCAX-AQDBYXPISA-N 2 1 312.498 2.621 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@]3(CC[NH+](C)C3)C1)CC2 ZINC000639204616 430572862 /nfs/dbraw/zinc/57/28/62/430572862.db2.gz UKFXILMICPEFLN-APWZRJJASA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@]3(CC[NH+](C)C3)C1)CC2 ZINC000639204616 430572865 /nfs/dbraw/zinc/57/28/65/430572865.db2.gz UKFXILMICPEFLN-APWZRJJASA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@]3(CC[N@H+](C)C3)C1)CC2 ZINC000639204616 430572868 /nfs/dbraw/zinc/57/28/68/430572868.db2.gz UKFXILMICPEFLN-APWZRJJASA-N 2 1 316.445 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+]1CC[C@]3(CC[N@@H+](C)C3)C1)CC2 ZINC000639204616 430572872 /nfs/dbraw/zinc/57/28/72/430572872.db2.gz UKFXILMICPEFLN-APWZRJJASA-N 2 1 316.445 2.719 20 0 DFADMP CC[C@@H](C)[C@@H](C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2CCOC)OC ZINC000639209964 430572913 /nfs/dbraw/zinc/57/29/13/430572913.db2.gz BVHXGFYEPPWCAX-FNNOIMFVSA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@@H](C)[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)OC ZINC000639209964 430572918 /nfs/dbraw/zinc/57/29/18/430572918.db2.gz BVHXGFYEPPWCAX-FNNOIMFVSA-N 2 1 312.498 2.621 20 0 DFADMP CC[C@@H](C)[C@@H](C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCOC)OC ZINC000639209964 430572922 /nfs/dbraw/zinc/57/29/22/430572922.db2.gz BVHXGFYEPPWCAX-FNNOIMFVSA-N 2 1 312.498 2.621 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794234 430576479 /nfs/dbraw/zinc/57/64/79/430576479.db2.gz CUDHMLUGHCOQSX-MAUKXSAKSA-N 2 1 302.462 2.844 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794234 430576483 /nfs/dbraw/zinc/57/64/83/430576483.db2.gz CUDHMLUGHCOQSX-MAUKXSAKSA-N 2 1 302.462 2.844 20 0 DFADMP CC(C)n1cc(C2=CCC[N@@H+]([C@H]3CC[NH+](C)[C@H](C)C3)CC2)nn1 ZINC000639227714 430580141 /nfs/dbraw/zinc/58/01/41/430580141.db2.gz QFYDGFWIMUCAMN-WBVHZDCISA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[N@H+]([C@H]3CC[NH+](C)[C@H](C)C3)CC2)nn1 ZINC000639227714 430580144 /nfs/dbraw/zinc/58/01/44/430580144.db2.gz QFYDGFWIMUCAMN-WBVHZDCISA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+]([C@H]3CC[N@H+](C)[C@H](C)C3)CC2)nn1 ZINC000639227714 430580147 /nfs/dbraw/zinc/58/01/47/430580147.db2.gz QFYDGFWIMUCAMN-WBVHZDCISA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+]([C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)nn1 ZINC000639227714 430580150 /nfs/dbraw/zinc/58/01/50/430580150.db2.gz QFYDGFWIMUCAMN-WBVHZDCISA-N 2 1 317.481 2.821 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@H]2C)cc1)C(C)C ZINC000570938325 430591778 /nfs/dbraw/zinc/59/17/78/430591778.db2.gz VPGNHBUCYCDXBD-CRAIPNDOSA-N 2 1 317.477 2.869 20 0 DFADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000552247701 430593254 /nfs/dbraw/zinc/59/32/54/430593254.db2.gz XVRJBYHZGBUBGE-MJKGWSOKSA-N 2 1 313.489 2.900 20 0 DFADMP CC(C)CC[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571040294 430598743 /nfs/dbraw/zinc/59/87/43/430598743.db2.gz AADNJACWYHGNJR-OALUTQOASA-N 2 1 304.478 2.895 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3ncccc13)CCO2 ZINC000639289091 430599762 /nfs/dbraw/zinc/59/97/62/430599762.db2.gz WFSDODDOICNNJZ-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550621514 430542665 /nfs/dbraw/zinc/54/26/65/430542665.db2.gz DFDANSCZLPWYFQ-SOLBZPMBSA-N 2 1 302.462 2.948 20 0 DFADMP O=c1cc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cc[nH]1 ZINC000639474663 430650370 /nfs/dbraw/zinc/65/03/70/430650370.db2.gz QHTFQFJZXQKAIW-QGZVFWFLSA-N 2 1 303.450 2.875 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000639483274 430651031 /nfs/dbraw/zinc/65/10/31/430651031.db2.gz RRADAYVMERISTM-CVEARBPZSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000639483274 430651035 /nfs/dbraw/zinc/65/10/35/430651035.db2.gz RRADAYVMERISTM-CVEARBPZSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)c1 ZINC000639483274 430651038 /nfs/dbraw/zinc/65/10/38/430651038.db2.gz RRADAYVMERISTM-CVEARBPZSA-N 2 1 303.450 2.939 20 0 DFADMP C[C@@H]1OCC[C@@H]1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639504005 430658047 /nfs/dbraw/zinc/65/80/47/430658047.db2.gz OVYKJEDHHZCDNS-QXAKKESOSA-N 2 1 302.462 2.865 20 0 DFADMP FC(F)(F)C1CCC(C[NH+]2CCN(c3[nH]cc[nH+]3)CC2)CC1 ZINC000571104988 430603581 /nfs/dbraw/zinc/60/35/81/430603581.db2.gz ZMPBIUXBQVKSEF-UHFFFAOYSA-N 2 1 316.371 2.900 20 0 DFADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000643472549 430606995 /nfs/dbraw/zinc/60/69/95/430606995.db2.gz QAEASZDJDBFKEE-DJIMGWMZSA-N 2 1 303.450 2.717 20 0 DFADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000643472550 430607031 /nfs/dbraw/zinc/60/70/31/430607031.db2.gz QAEASZDJDBFKEE-HYVNUMGLSA-N 2 1 303.450 2.717 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1 ZINC000643488763 430608442 /nfs/dbraw/zinc/60/84/42/430608442.db2.gz WJZIMMKVZQLDCI-KYJSFNMBSA-N 2 1 306.450 2.751 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643489596 430608950 /nfs/dbraw/zinc/60/89/50/430608950.db2.gz UEZKGXNONWRERA-RNIPGJKVSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643489596 430608952 /nfs/dbraw/zinc/60/89/52/430608952.db2.gz UEZKGXNONWRERA-RNIPGJKVSA-N 2 1 301.478 2.627 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)c(C)c1OC ZINC000643502653 430609892 /nfs/dbraw/zinc/60/98/92/430609892.db2.gz MMVYODHQZZTVPV-XJKSGUPXSA-N 2 1 306.450 2.675 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000643507517 430611591 /nfs/dbraw/zinc/61/15/91/430611591.db2.gz HBLFZTJBEOUJHF-YSIASYRMSA-N 2 1 313.489 2.629 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000643521892 430612584 /nfs/dbraw/zinc/61/25/84/430612584.db2.gz DZAXCDHQMOZUHY-OLZOCXBDSA-N 2 1 319.840 2.713 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533963 430612845 /nfs/dbraw/zinc/61/28/45/430612845.db2.gz ISVLBZMIJFJDDL-QRQLOZEOSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533963 430612847 /nfs/dbraw/zinc/61/28/47/430612847.db2.gz ISVLBZMIJFJDDL-QRQLOZEOSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H]1[C@@H](N[C@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000643522582 430613220 /nfs/dbraw/zinc/61/32/20/430613220.db2.gz POKRBXIIBNWUCY-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@@H](N[C@H]2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000643522582 430613224 /nfs/dbraw/zinc/61/32/24/430613224.db2.gz POKRBXIIBNWUCY-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1cc2c(ccc3ccccc23)o1 ZINC000643531413 430613446 /nfs/dbraw/zinc/61/34/46/430613446.db2.gz NTMYNATXFFPINP-QEORTHHSSA-N 2 1 310.397 2.817 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533960 430613592 /nfs/dbraw/zinc/61/35/92/430613592.db2.gz ISVLBZMIJFJDDL-BHIYHBOVSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643533960 430613594 /nfs/dbraw/zinc/61/35/94/430613594.db2.gz ISVLBZMIJFJDDL-BHIYHBOVSA-N 3 1 313.489 2.629 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643548375 430616435 /nfs/dbraw/zinc/61/64/35/430616435.db2.gz ONLQOVZABZXSCW-JSGCOSHPSA-N 2 1 323.506 2.966 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639351791 430618170 /nfs/dbraw/zinc/61/81/70/430618170.db2.gz AAEAFALFVOCCQL-JZGRTCEGSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639351791 430618172 /nfs/dbraw/zinc/61/81/72/430618172.db2.gz AAEAFALFVOCCQL-JZGRTCEGSA-N 2 1 300.446 2.715 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000639359289 430620620 /nfs/dbraw/zinc/62/06/20/430620620.db2.gz KHVJXVREHPLMRM-QRQLOZEOSA-N 2 1 302.462 2.771 20 0 DFADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000553777261 430622467 /nfs/dbraw/zinc/62/24/67/430622467.db2.gz YVZJCJPJYYDQBO-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554085284 430628194 /nfs/dbraw/zinc/62/81/94/430628194.db2.gz FUTXDZJHISTAFF-QRQLOZEOSA-N 2 1 304.478 2.751 20 0 DFADMP COC[C@H](C)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000571448222 430628683 /nfs/dbraw/zinc/62/86/83/430628683.db2.gz XKUDGRBWYWSKGZ-MJGOQNOKSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1nc3c(s1)CCCC3)CC[NH2+]CC2 ZINC000643973764 430646546 /nfs/dbraw/zinc/64/65/46/430646546.db2.gz HHVIMDGUWNCPSR-ZDUSSCGKSA-N 2 1 305.491 2.986 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639589034 430677662 /nfs/dbraw/zinc/67/76/62/430677662.db2.gz IKYWQAYSAAJNFV-QAPCUYQASA-N 2 1 311.429 2.787 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000572247257 430678416 /nfs/dbraw/zinc/67/84/16/430678416.db2.gz ZZSFQCGRCNWLBB-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CSCC[NH+]1CCCC2(CCC[N@H+](CCSC)C2)C1 ZINC000368073215 278130126 /nfs/dbraw/zinc/13/01/26/278130126.db2.gz KOWCUHLGDOPETL-UHFFFAOYSA-N 2 1 302.553 2.890 20 0 DFADMP C[N@H+]1CC[C@H](C(=O)Nc2cccc(-c3ncc4n3CCCC4)c2)C1 ZINC000556754431 430691808 /nfs/dbraw/zinc/69/18/08/430691808.db2.gz QHYJGLHRJFTLCL-HNNXBMFYSA-N 2 1 324.428 2.777 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000556703563 430689614 /nfs/dbraw/zinc/68/96/14/430689614.db2.gz QCTWIQIPVQNTBL-RTBURBONSA-N 2 1 310.445 2.958 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)cn1 ZINC000556703563 430689615 /nfs/dbraw/zinc/68/96/15/430689615.db2.gz QCTWIQIPVQNTBL-RTBURBONSA-N 2 1 310.445 2.958 20 0 DFADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[C@H](C)[NH3+] ZINC000249070574 278209230 /nfs/dbraw/zinc/20/92/30/278209230.db2.gz QHELQHLETSKYQJ-OAGGEKHMSA-N 2 1 317.477 2.661 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CCCC[NH+](C)C ZINC000556937192 430696689 /nfs/dbraw/zinc/69/66/89/430696689.db2.gz KNIGJLDOADMGDQ-UHFFFAOYSA-N 2 1 319.493 2.875 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1c1ccccc1 ZINC000572888118 430698053 /nfs/dbraw/zinc/69/80/53/430698053.db2.gz JQTUVQVIUSDFHO-RTWAWAEBSA-N 3 1 321.468 2.507 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cs2)CC1 ZINC000194385720 278395441 /nfs/dbraw/zinc/39/54/41/278395441.db2.gz CSJFLMPYQLKCJZ-GFCCVEGCSA-N 2 1 316.898 2.926 20 0 DFADMP Cc1ccc2ccnc(N3CCC([N@H+]4CC[C@@H](O)C4)CC3)c2c1 ZINC000664598499 430703079 /nfs/dbraw/zinc/70/30/79/430703079.db2.gz VJTOXWNCRSHYMN-QGZVFWFLSA-N 2 1 311.429 2.579 20 0 DFADMP O[C@H]1C[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000657705458 430711154 /nfs/dbraw/zinc/71/11/54/430711154.db2.gz YUKZKPDRRCERQH-ROUUACIJSA-N 2 1 300.446 2.544 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000657753184 430725413 /nfs/dbraw/zinc/72/54/13/430725413.db2.gz VEIIRENVLBZZCC-AIMAZDRCSA-N 2 1 322.399 2.821 20 0 DFADMP C[C@@H](C[NH2+]Cc1cnn(Cc2ccccc2Cl)c1)C[NH+](C)C ZINC000644412638 430727470 /nfs/dbraw/zinc/72/74/70/430727470.db2.gz QEWCPLVYIXLNBY-AWEZNQCLSA-N 2 1 320.868 2.872 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000651192547 430732246 /nfs/dbraw/zinc/73/22/46/430732246.db2.gz RMUMCIARLNSKHY-HNNXBMFYSA-N 2 1 321.469 2.624 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651210931 430737264 /nfs/dbraw/zinc/73/72/64/430737264.db2.gz ADTDTWGWXDDDHF-MJGOQNOKSA-N 2 1 324.472 2.909 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccc2ccccc2c1 ZINC000644521988 430741710 /nfs/dbraw/zinc/74/17/10/430741710.db2.gz NDNJUPQLZIZLDC-ACRUOGEOSA-N 2 1 324.468 2.960 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccc2ccccc2c1 ZINC000644521988 430741715 /nfs/dbraw/zinc/74/17/15/430741715.db2.gz NDNJUPQLZIZLDC-ACRUOGEOSA-N 2 1 324.468 2.960 20 0 DFADMP Cc1cccc(CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000644533527 430746370 /nfs/dbraw/zinc/74/63/70/430746370.db2.gz FCMLGAIGLOLGCX-HXUWFJFHSA-N 2 1 312.457 2.620 20 0 DFADMP Cc1cccc(CC[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000644533527 430746375 /nfs/dbraw/zinc/74/63/75/430746375.db2.gz FCMLGAIGLOLGCX-HXUWFJFHSA-N 2 1 312.457 2.620 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2ccncc2s1 ZINC000657833324 430747732 /nfs/dbraw/zinc/74/77/32/430747732.db2.gz JCZOQRLGTOWMKF-CYBMUJFWSA-N 2 1 307.463 2.915 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2cnccc2o1 ZINC000657873261 430758947 /nfs/dbraw/zinc/75/89/47/430758947.db2.gz RUFVTFORQAPTES-HNNXBMFYSA-N 2 1 316.449 2.506 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCSCC2)C[C@H](C)O1 ZINC000657918548 430766744 /nfs/dbraw/zinc/76/67/44/430766744.db2.gz DXIYIGPEVWMOEZ-OWCLPIDISA-N 2 1 300.512 2.751 20 0 DFADMP C([NH2+][C@H]1CCCSCC1)C1([NH+]2CCCCC2)CCOCC1 ZINC000657915889 430767185 /nfs/dbraw/zinc/76/71/85/430767185.db2.gz PVSMPGXPGQYISB-INIZCTEOSA-N 2 1 312.523 2.897 20 0 DFADMP Cn1ncc2c1CC(C)(C)CN(CC[C@H]1CCCC[N@H+]1C)C2 ZINC000664871568 430768637 /nfs/dbraw/zinc/76/86/37/430768637.db2.gz BOPVGTPJOXHZJD-MRXNPFEDSA-N 2 1 304.482 2.679 20 0 DFADMP Cn1ncc2c1CC(C)(C)C[N@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000664871568 430768640 /nfs/dbraw/zinc/76/86/40/430768640.db2.gz BOPVGTPJOXHZJD-MRXNPFEDSA-N 2 1 304.482 2.679 20 0 DFADMP Cn1ncc2c1CC(C)(C)C[N@@H+](CC[C@H]1CCCC[NH+]1C)C2 ZINC000664871568 430768646 /nfs/dbraw/zinc/76/86/46/430768646.db2.gz BOPVGTPJOXHZJD-MRXNPFEDSA-N 2 1 304.482 2.679 20 0 DFADMP Cn1ncc2c1CC(C)(C)C[NH+](CC[C@H]1CCCC[N@@H+]1C)C2 ZINC000664871568 430768649 /nfs/dbraw/zinc/76/86/49/430768649.db2.gz BOPVGTPJOXHZJD-MRXNPFEDSA-N 2 1 304.482 2.679 20 0 DFADMP Cn1ncc2c1CC(C)(C)C[NH+](CC[C@H]1CCCC[N@H+]1C)C2 ZINC000664871568 430768654 /nfs/dbraw/zinc/76/86/54/430768654.db2.gz BOPVGTPJOXHZJD-MRXNPFEDSA-N 2 1 304.482 2.679 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000644637427 430776238 /nfs/dbraw/zinc/77/62/38/430776238.db2.gz HGEAUQYFTZZSBE-CVEARBPZSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCC(F)(F)C1 ZINC000644637427 430776243 /nfs/dbraw/zinc/77/62/43/430776243.db2.gz HGEAUQYFTZZSBE-CVEARBPZSA-N 2 1 312.404 2.504 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCn2nccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969794 430776432 /nfs/dbraw/zinc/77/64/32/430776432.db2.gz UTFJUHGTCMSJCL-ZMSDIMECSA-N 2 1 302.466 2.961 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCn2nccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969794 430776436 /nfs/dbraw/zinc/77/64/36/430776436.db2.gz UTFJUHGTCMSJCL-ZMSDIMECSA-N 2 1 302.466 2.961 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000644637032 430776375 /nfs/dbraw/zinc/77/63/75/430776375.db2.gz DOJGKQNLHUJGNH-FRFSOERESA-N 2 1 308.853 2.631 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000644637032 430776376 /nfs/dbraw/zinc/77/63/76/430776376.db2.gz DOJGKQNLHUJGNH-FRFSOERESA-N 2 1 308.853 2.631 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000644637910 430777335 /nfs/dbraw/zinc/77/73/35/430777335.db2.gz XETYRAAYJBCFCI-SLFFLAALSA-N 2 1 310.441 2.625 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000644637910 430777343 /nfs/dbraw/zinc/77/73/43/430777343.db2.gz XETYRAAYJBCFCI-SLFFLAALSA-N 2 1 310.441 2.625 20 0 DFADMP COc1cc(F)cc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000648531516 430815792 /nfs/dbraw/zinc/81/57/92/430815792.db2.gz MYLQWIIWEDKSIY-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1cc(F)cc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000648531516 430815795 /nfs/dbraw/zinc/81/57/95/430815795.db2.gz MYLQWIIWEDKSIY-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccoc1 ZINC000658136118 430820047 /nfs/dbraw/zinc/82/00/47/430820047.db2.gz BQSMKLDTZIAQDN-KDOFPFPSSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1ccoc1 ZINC000658136119 430820630 /nfs/dbraw/zinc/82/06/30/430820630.db2.gz BQSMKLDTZIAQDN-KSSFIOAISA-N 2 1 300.402 2.697 20 0 DFADMP CCCC[C@@H](COC)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138565 430824006 /nfs/dbraw/zinc/82/40/06/430824006.db2.gz JJWAYDRCSTURHE-RBUKOAKNSA-N 2 1 320.477 2.548 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3ccccc3C2)CC1(C)C ZINC000648567340 430825117 /nfs/dbraw/zinc/82/51/17/430825117.db2.gz NTLZDPFHTFVVJZ-LJQANCHMSA-N 2 1 315.505 2.550 20 0 DFADMP Cc1cn2c(C[NH2+]CCCC[N@H+](C)C3CC3)c(C)nc2s1 ZINC000651600496 430828779 /nfs/dbraw/zinc/82/87/79/430828779.db2.gz VZBRYEFBHFSJPA-UHFFFAOYSA-N 2 1 306.479 2.977 20 0 DFADMP CC(C)CC[NH+]1CCC(CNC(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000654869940 430832969 /nfs/dbraw/zinc/83/29/69/430832969.db2.gz QSNZKXMXDZGRSJ-UHFFFAOYSA-N 2 1 323.525 2.593 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000648432553 430785435 /nfs/dbraw/zinc/78/54/35/430785435.db2.gz XDAWZWKJCQOMCQ-XLIONFOSSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000648432553 430785439 /nfs/dbraw/zinc/78/54/39/430785439.db2.gz XDAWZWKJCQOMCQ-XLIONFOSSA-N 2 1 315.505 2.766 20 0 DFADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CC2 ZINC000648442445 430788768 /nfs/dbraw/zinc/78/87/68/430788768.db2.gz ZSKMQENVMSPDLS-ZYHUDNBSSA-N 2 1 307.319 2.892 20 0 DFADMP CCCc1nc(C)c(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)o1 ZINC000644688104 430791631 /nfs/dbraw/zinc/79/16/31/430791631.db2.gz FUDGLRHTJLWPKP-AWEZNQCLSA-N 2 1 302.422 2.826 20 0 DFADMP CCCc1nc(C)c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000644688104 430791635 /nfs/dbraw/zinc/79/16/35/430791635.db2.gz FUDGLRHTJLWPKP-AWEZNQCLSA-N 2 1 302.422 2.826 20 0 DFADMP OC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@@H]1c1ccccc1 ZINC000661664866 430797979 /nfs/dbraw/zinc/79/79/79/430797979.db2.gz GPVMTJHRYKVPFX-VQTJNVASSA-N 2 1 316.489 2.960 20 0 DFADMP COC[C@@H](CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000658085590 430805819 /nfs/dbraw/zinc/80/58/19/430805819.db2.gz RFUGTINKDMXCMD-RDTXWAMCSA-N 2 1 317.433 2.883 20 0 DFADMP C[C@H]([NH2+][C@H](CO)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658088749 430806468 /nfs/dbraw/zinc/80/64/68/430806468.db2.gz UXWLWLOPJKEQMG-ZYSHUDEJSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)CC1CC1 ZINC000658246681 430850856 /nfs/dbraw/zinc/85/08/56/430850856.db2.gz FVIDEUHKXOLOOC-UXPWSPDFSA-N 2 1 316.489 2.895 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000648782666 430889154 /nfs/dbraw/zinc/88/91/54/430889154.db2.gz XKHHZNIWCRQMLX-HNNXBMFYSA-N 2 1 320.481 2.587 20 0 DFADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1C ZINC000665246072 430867798 /nfs/dbraw/zinc/86/77/98/430867798.db2.gz YINZEUHYAGAQGQ-IPMKNSEASA-N 2 1 302.462 2.593 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000665249346 430868184 /nfs/dbraw/zinc/86/81/84/430868184.db2.gz OHCULMROTNPZEX-OAHLLOKOSA-N 3 1 305.466 2.549 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc(OC)c1OC ZINC000665249447 430868437 /nfs/dbraw/zinc/86/84/37/430868437.db2.gz QNPCYKWEDZWBIG-GFCCVEGCSA-N 2 1 308.422 2.635 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@H]2C[C@H]2C)cc1F ZINC000665259770 430872415 /nfs/dbraw/zinc/87/24/15/430872415.db2.gz PEJKWMQTDIPUPW-WUJVLMNZSA-N 2 1 306.425 2.914 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@@H]2C[C@H]2C)cc1F ZINC000665259768 430873255 /nfs/dbraw/zinc/87/32/55/430873255.db2.gz PEJKWMQTDIPUPW-ISEYSSJNSA-N 2 1 306.425 2.914 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665266787 430876088 /nfs/dbraw/zinc/87/60/88/430876088.db2.gz JRWZTLGBXCAIBV-XKGZKEIXSA-N 2 1 315.505 2.942 20 0 DFADMP C1C[NH2+][C@H]([C@@H]2CCC[C@H]2N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000665267153 430876726 /nfs/dbraw/zinc/87/67/26/430876726.db2.gz QQNJNKOQOJOMPE-DSLXNQLJSA-N 2 1 305.510 2.904 20 0 DFADMP C1C[NH2+][C@H]([C@H]2CCC[C@H]2N[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000665267156 430877421 /nfs/dbraw/zinc/87/74/21/430877421.db2.gz QQNJNKOQOJOMPE-WZGPROSRSA-N 2 1 305.510 2.904 20 0 DFADMP CC(C)[C@H]([NH3+])CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000665281201 430880479 /nfs/dbraw/zinc/88/04/79/430880479.db2.gz XARMDJHDBABZIF-QRQLOZEOSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000665281201 430880483 /nfs/dbraw/zinc/88/04/83/430880483.db2.gz XARMDJHDBABZIF-QRQLOZEOSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000665281201 430880487 /nfs/dbraw/zinc/88/04/87/430880487.db2.gz XARMDJHDBABZIF-QRQLOZEOSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000665281201 430880491 /nfs/dbraw/zinc/88/04/91/430880491.db2.gz XARMDJHDBABZIF-QRQLOZEOSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)c1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290549 430885647 /nfs/dbraw/zinc/88/56/47/430885647.db2.gz CKKXVMVVKFLDPQ-GFCCVEGCSA-N 2 1 300.406 2.615 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299443 430891969 /nfs/dbraw/zinc/89/19/69/430891969.db2.gz NCNWDASNVFZMIN-PVAVHDDUSA-N 2 1 310.445 2.837 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000648798522 430896607 /nfs/dbraw/zinc/89/66/07/430896607.db2.gz KIPZFRDAVZRLNH-HNSVSWJLSA-N 2 1 318.465 2.528 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000648798522 430896613 /nfs/dbraw/zinc/89/66/13/430896613.db2.gz KIPZFRDAVZRLNH-HNSVSWJLSA-N 2 1 318.465 2.528 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648875766 430922682 /nfs/dbraw/zinc/92/26/82/430922682.db2.gz GFGDNLKWVNNEOD-HNNXBMFYSA-N 2 1 308.470 2.587 20 0 DFADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000648907499 430932674 /nfs/dbraw/zinc/93/26/74/430932674.db2.gz BEFOLZSYAFWRKP-AEFFLSMTSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1[C@H](C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@H+]1C ZINC000648923716 430938113 /nfs/dbraw/zinc/93/81/13/430938113.db2.gz PMXQTEJSBSJIHI-HZPDHXFCSA-N 2 1 323.525 2.686 20 0 DFADMP CC[C@@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648934459 430942272 /nfs/dbraw/zinc/94/22/72/430942272.db2.gz BERXBLWXIFWGKX-FUHWJXTLSA-N 2 1 323.525 2.686 20 0 DFADMP CC[C@@H](CC(C)C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648934459 430942277 /nfs/dbraw/zinc/94/22/77/430942277.db2.gz BERXBLWXIFWGKX-FUHWJXTLSA-N 2 1 323.525 2.686 20 0 DFADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[NH+]2CCCC[C@H]12)C1CCCCC1 ZINC000655349945 430971831 /nfs/dbraw/zinc/97/18/31/430971831.db2.gz MTXPIBLGKOWGLB-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000655349945 430971837 /nfs/dbraw/zinc/97/18/37/430971837.db2.gz MTXPIBLGKOWGLB-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)C1CCCCC1 ZINC000655349945 430971841 /nfs/dbraw/zinc/97/18/41/430971841.db2.gz MTXPIBLGKOWGLB-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP CCCc1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662154604 430979696 /nfs/dbraw/zinc/97/96/96/430979696.db2.gz XZZYIEUFBSUABB-IBGZPJMESA-N 2 1 302.462 2.670 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C12CCOCC2 ZINC000652221905 430991076 /nfs/dbraw/zinc/99/10/76/430991076.db2.gz ACBWZBBADXIMHX-IAGOWNOFSA-N 2 1 312.498 2.528 20 0 DFADMP CC[N@@H+](CCCNC(=O)N1CCC(C)([NH3+])CC1)C1CCCCC1 ZINC000652228106 430995346 /nfs/dbraw/zinc/99/53/46/430995346.db2.gz WOTIDFKGDGCRCM-UHFFFAOYSA-N 2 1 324.513 2.554 20 0 DFADMP C[C@@H]1[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCCN1Cc1ccccc1 ZINC000645434481 431001015 /nfs/dbraw/zinc/00/10/15/431001015.db2.gz ZEUYAMHWLOUPDE-QRQLOZEOSA-N 2 1 324.472 2.841 20 0 DFADMP C[C@@H]1[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CCCN1Cc1ccccc1 ZINC000645434477 431001711 /nfs/dbraw/zinc/00/17/11/431001711.db2.gz ZEUYAMHWLOUPDE-NEWSRXKRSA-N 2 1 324.472 2.841 20 0 DFADMP FC(F)(F)c1ccnc([C@@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000662218604 431004074 /nfs/dbraw/zinc/00/40/74/431004074.db2.gz YTWSSUYKCNQEFQ-LBPRGKRZSA-N 2 1 314.355 2.632 20 0 DFADMP FC(F)(F)c1ccnc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000662218604 431004079 /nfs/dbraw/zinc/00/40/79/431004079.db2.gz YTWSSUYKCNQEFQ-LBPRGKRZSA-N 2 1 314.355 2.632 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257927 431019999 /nfs/dbraw/zinc/01/99/99/431019999.db2.gz RILADUXQLAKZOA-ROUUACIJSA-N 2 1 300.446 2.523 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)CC[C@@H]1[NH3+] ZINC000662270102 431025070 /nfs/dbraw/zinc/02/50/70/431025070.db2.gz IHHZIZXYLNDAOI-GUYCJALGSA-N 2 1 315.417 2.909 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cc(-c3ccc(OC)cc3)no2)CC[C@@H]1[NH3+] ZINC000662270102 431025074 /nfs/dbraw/zinc/02/50/74/431025074.db2.gz IHHZIZXYLNDAOI-GUYCJALGSA-N 2 1 315.417 2.909 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655484870 431025553 /nfs/dbraw/zinc/02/55/53/431025553.db2.gz ZIVSXZNUNCYLCD-IEBWSBKVSA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)c1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000662271999 431026944 /nfs/dbraw/zinc/02/69/44/431026944.db2.gz AZSUHXFMVCMCFS-SFHVURJKSA-N 2 1 302.462 2.997 20 0 DFADMP CO[C@H](C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)C1CCCC1 ZINC000662270991 431027100 /nfs/dbraw/zinc/02/71/00/431027100.db2.gz DBPHGFUWTMLOET-CEXWTWQISA-N 2 1 302.462 2.866 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H]1c1ccccc1 ZINC000662270993 431027167 /nfs/dbraw/zinc/02/71/67/431027167.db2.gz DFOPNUXLZOMBMW-CTNGQTDRSA-N 3 1 321.468 2.507 20 0 DFADMP CCCc1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348427 431028172 /nfs/dbraw/zinc/02/81/72/431028172.db2.gz DGRMUMSTEMKIDG-SQWLQELKSA-N 2 1 323.506 2.814 20 0 DFADMP CC[C@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@@H]1[NH3+] ZINC000662272130 431028332 /nfs/dbraw/zinc/02/83/32/431028332.db2.gz KJSGIWZMGFZWTJ-STQMWFEESA-N 2 1 312.360 2.610 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272647 431028790 /nfs/dbraw/zinc/02/87/90/431028790.db2.gz GNLQVJLCDDHAIB-ZWKOTPCHSA-N 2 1 314.473 2.794 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@](C)(C[NH3+])C3)on2)cc1 ZINC000662274279 431029162 /nfs/dbraw/zinc/02/91/62/431029162.db2.gz UAHAIDVUGLFCMV-QGZVFWFLSA-N 2 1 301.390 2.521 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@](C)(C[NH3+])C3)on2)cc1 ZINC000662274279 431029167 /nfs/dbraw/zinc/02/91/67/431029167.db2.gz UAHAIDVUGLFCMV-QGZVFWFLSA-N 2 1 301.390 2.521 20 0 DFADMP C[C@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@@H]1CC[NH3+] ZINC000652355575 431029703 /nfs/dbraw/zinc/02/97/03/431029703.db2.gz ADDFVIUEXAVRQP-GOEBONIOSA-N 2 1 300.450 2.565 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652355201 431029824 /nfs/dbraw/zinc/02/98/24/431029824.db2.gz QVIJBIWHSWKVCY-DYVFJYSZSA-N 2 1 321.440 2.912 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652353342 431029847 /nfs/dbraw/zinc/02/98/47/431029847.db2.gz AKAMWRPWRADWCA-WBVHZDCISA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000652353342 431029851 /nfs/dbraw/zinc/02/98/51/431029851.db2.gz AKAMWRPWRADWCA-WBVHZDCISA-N 2 1 303.450 2.691 20 0 DFADMP C[C@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@H]1CC[NH3+] ZINC000652355576 431030578 /nfs/dbraw/zinc/03/05/78/431030578.db2.gz ADDFVIUEXAVRQP-HOCLYGCPSA-N 2 1 300.450 2.565 20 0 DFADMP C[C@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)[C@@H]1CC[NH3+] ZINC000652354930 431030766 /nfs/dbraw/zinc/03/07/66/431030766.db2.gz KRWQFQZQLSIICU-DOTOQJQBSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)[C@@H]1CC[NH3+] ZINC000652354930 431030770 /nfs/dbraw/zinc/03/07/70/431030770.db2.gz KRWQFQZQLSIICU-DOTOQJQBSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@H]1CC[NH3+] ZINC000652354747 431030874 /nfs/dbraw/zinc/03/08/74/431030874.db2.gz HFQPJEVXEBSWBU-HOCLYGCPSA-N 2 1 320.433 2.634 20 0 DFADMP Cc1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360826 431032153 /nfs/dbraw/zinc/03/21/53/431032153.db2.gz RGAQDIBBUZGWPB-BHIYHBOVSA-N 2 1 318.461 2.735 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H](OC3CCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662283683 431032175 /nfs/dbraw/zinc/03/21/75/431032175.db2.gz JJXUNEAAOGNPLB-GOSISDBHSA-N 2 1 300.446 2.866 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOc2ccccc2F)C1 ZINC000652360377 431032302 /nfs/dbraw/zinc/03/23/02/431032302.db2.gz GHQGYXWWULHCAT-QGPMSJSTSA-N 2 1 322.424 2.565 20 0 DFADMP Cc1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360829 431033503 /nfs/dbraw/zinc/03/35/03/431033503.db2.gz RGAQDIBBUZGWPB-UHOSZYNNSA-N 2 1 318.461 2.735 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCc2ccccc2)C1 ZINC000652360803 431033587 /nfs/dbraw/zinc/03/35/87/431033587.db2.gz QRZFRFYTZUXXRZ-CEXWTWQISA-N 2 1 302.462 2.980 20 0 DFADMP Fc1ccccc1OCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293243 431034565 /nfs/dbraw/zinc/03/45/65/431034565.db2.gz DWZYAAIKJXSLJU-INIZCTEOSA-N 2 1 306.425 2.916 20 0 DFADMP CCCCc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290540 431034979 /nfs/dbraw/zinc/03/49/79/431034979.db2.gz FVOHKLCMWDHHME-OAHLLOKOSA-N 2 1 306.454 2.624 20 0 DFADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295321 431037365 /nfs/dbraw/zinc/03/73/65/431037365.db2.gz QAKXEEQQWJUVPV-QGZVFWFLSA-N 2 1 315.461 2.645 20 0 DFADMP CC(C)c1ccc2c(c1)C[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662298653 431037530 /nfs/dbraw/zinc/03/75/30/431037530.db2.gz DRUGZAJUHKODJC-GOSISDBHSA-N 2 1 300.446 2.689 20 0 DFADMP FC(F)(F)c1ccnc([C@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000662306062 431040245 /nfs/dbraw/zinc/04/02/45/431040245.db2.gz WPDBGDYHSJNZIP-VXGBXAGGSA-N 2 1 314.355 2.632 20 0 DFADMP FC(F)(F)c1ccnc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000662306062 431040250 /nfs/dbraw/zinc/04/02/50/431040250.db2.gz WPDBGDYHSJNZIP-VXGBXAGGSA-N 2 1 314.355 2.632 20 0 DFADMP COc1ccc2c(c1)CC[N@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662309995 431041384 /nfs/dbraw/zinc/04/13/84/431041384.db2.gz FUKKDGFVEPYGGL-UHFFFAOYSA-N 2 1 308.425 2.899 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CCC[NH3+] ZINC000662313205 431043784 /nfs/dbraw/zinc/04/37/84/431043784.db2.gz GNBNBOBNBLOUEF-RHSMWYFYSA-N 2 1 321.440 2.994 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313352 431044371 /nfs/dbraw/zinc/04/43/71/431044371.db2.gz LAFLMMPSZPVKAL-VVLHAWIVSA-N 2 1 309.498 2.521 20 0 DFADMP CN(c1ccccc1)[C@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662318422 431044560 /nfs/dbraw/zinc/04/45/60/431044560.db2.gz ZTYGFLHHXDGQOI-IBGZPJMESA-N 2 1 301.478 2.977 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662352425 431055273 /nfs/dbraw/zinc/05/52/73/431055273.db2.gz VBRHFPCARVOMLH-YJBOKZPZSA-N 2 1 315.461 2.602 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000662389256 431070162 /nfs/dbraw/zinc/07/01/62/431070162.db2.gz WDIUIOUEHUKNDG-YOEHRIQHSA-N 2 1 303.450 2.855 20 0 DFADMP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000662388164 431068406 /nfs/dbraw/zinc/06/84/06/431068406.db2.gz JUVOOMMETZIFSF-INIZCTEOSA-N 2 1 317.477 2.533 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000662247319 431013307 /nfs/dbraw/zinc/01/33/07/431013307.db2.gz XBWAFFJWHVBAOW-DZGCQCFKSA-N 2 1 315.417 2.909 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000662247319 431013312 /nfs/dbraw/zinc/01/33/12/431013312.db2.gz XBWAFFJWHVBAOW-DZGCQCFKSA-N 2 1 315.417 2.909 20 0 DFADMP C[C@H](c1cc2ccccc2o1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249021 431013717 /nfs/dbraw/zinc/01/37/17/431013717.db2.gz NJVKTWBJWXJDPF-UKRRQHHQSA-N 2 1 300.402 2.947 20 0 DFADMP C[N@@H+](CCc1cccc2ccccc21)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252942 431015192 /nfs/dbraw/zinc/01/51/92/431015192.db2.gz DUWKVTGQCSGBGK-GOSISDBHSA-N 2 1 310.441 2.835 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H](CO)CCF)CC1 ZINC000652302175 431016659 /nfs/dbraw/zinc/01/66/59/431016659.db2.gz RRJLLNAWKUAALP-ADKAHSJRSA-N 2 1 308.441 2.740 20 0 DFADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc2C1 ZINC000662255112 431017251 /nfs/dbraw/zinc/01/72/51/431017251.db2.gz WPIHGTXSUADCFR-OALUTQOASA-N 2 1 314.473 2.777 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000645502406 431017431 /nfs/dbraw/zinc/01/74/31/431017431.db2.gz GCDVSIIDBOQSNV-RVKKMQEKSA-N 2 1 315.461 2.855 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC[N@H+]1C ZINC000652315500 431019226 /nfs/dbraw/zinc/01/92/26/431019226.db2.gz WRQCQKNTIDEZAD-AAEUAGOBSA-N 2 1 312.360 2.623 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460708 431108768 /nfs/dbraw/zinc/10/87/68/431108768.db2.gz VRKRJYMDWOYUPH-MSOLQXFVSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000649460708 431108769 /nfs/dbraw/zinc/10/87/69/431108769.db2.gz VRKRJYMDWOYUPH-MSOLQXFVSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000649460708 431108772 /nfs/dbraw/zinc/10/87/72/431108772.db2.gz VRKRJYMDWOYUPH-MSOLQXFVSA-N 2 1 313.445 2.635 20 0 DFADMP CC(C)OC1CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655737799 431108870 /nfs/dbraw/zinc/10/88/70/431108870.db2.gz QKAVMLHDIRBFCW-KVZIAJEVSA-N 2 1 324.509 2.956 20 0 DFADMP CC[N@@H+](CCCNc1ncnc2c1cnn2C)C1CCCCC1 ZINC000649478128 431113174 /nfs/dbraw/zinc/11/31/74/431113174.db2.gz UPAFVJZRHGBEES-UHFFFAOYSA-N 2 1 316.453 2.820 20 0 DFADMP Cc1ccccc1C[NH+]1CCCN(C[C@H]2CCC[N@@H+]2C)CC1 ZINC000649479781 431114198 /nfs/dbraw/zinc/11/41/98/431114198.db2.gz KPZRMTNECRZMKL-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649479781 431114203 /nfs/dbraw/zinc/11/42/03/431114203.db2.gz KPZRMTNECRZMKL-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCN(C[C@H]2CCC[NH+]2C)CC1 ZINC000649479781 431114214 /nfs/dbraw/zinc/11/42/14/431114214.db2.gz KPZRMTNECRZMKL-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1cnc([C@@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)s1 ZINC000655754475 431115543 /nfs/dbraw/zinc/11/55/43/431115543.db2.gz WSUNQGPWKKFVCU-BBRMVZONSA-N 2 1 323.506 2.788 20 0 DFADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655757113 431119130 /nfs/dbraw/zinc/11/91/30/431119130.db2.gz BQQRMXXJHALYKO-UONOGXRCSA-N 2 1 308.388 2.806 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)C1 ZINC000649382213 431084062 /nfs/dbraw/zinc/08/40/62/431084062.db2.gz WMWZOVHWOVQTIA-JKSUJKDBSA-N 2 1 315.452 2.524 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC/C=C/c3ccccc3)CC2)C1 ZINC000649382194 431084212 /nfs/dbraw/zinc/08/42/12/431084212.db2.gz TWTMDGALMOUZKM-JOCSGSGBSA-N 2 1 313.489 2.802 20 0 DFADMP c1ccc2c(c1)CCC[C@H]2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655696429 431087311 /nfs/dbraw/zinc/08/73/11/431087311.db2.gz PJFFCXRWBUPFDE-HKUYNNGSSA-N 2 1 314.473 2.949 20 0 DFADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000655698613 431088238 /nfs/dbraw/zinc/08/82/38/431088238.db2.gz NNHFQDKTCDYWLP-ZWKOTPCHSA-N 2 1 302.462 2.727 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000652756655 431125751 /nfs/dbraw/zinc/12/57/51/431125751.db2.gz OFZYNJRQFNQQIM-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000652756655 431125757 /nfs/dbraw/zinc/12/57/57/431125757.db2.gz OFZYNJRQFNQQIM-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CCCNC(=O)[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000652756655 431125763 /nfs/dbraw/zinc/12/57/63/431125763.db2.gz OFZYNJRQFNQQIM-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1csc(CCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)n1 ZINC000655707867 431092238 /nfs/dbraw/zinc/09/22/38/431092238.db2.gz GKPCCOQOTFAARV-INIZCTEOSA-N 2 1 323.506 2.617 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(C[C@@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000649412908 431093321 /nfs/dbraw/zinc/09/33/21/431093321.db2.gz DAEPSCMQKVQDTH-UXHICEINSA-N 2 1 313.489 2.584 20 0 DFADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000649413890 431093375 /nfs/dbraw/zinc/09/33/75/431093375.db2.gz PUNWKKWCCNCJLL-IBGZPJMESA-N 2 1 301.478 2.582 20 0 DFADMP Cc1ccccc1CN1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649411550 431093869 /nfs/dbraw/zinc/09/38/69/431093869.db2.gz DNXBMQNSOUGAQF-LJQANCHMSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649411550 431093872 /nfs/dbraw/zinc/09/38/72/431093872.db2.gz DNXBMQNSOUGAQF-LJQANCHMSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(CC[C@H]2CCC[NH2+]C2)CC1 ZINC000649411550 431093875 /nfs/dbraw/zinc/09/38/75/431093875.db2.gz DNXBMQNSOUGAQF-LJQANCHMSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000649413113 431094285 /nfs/dbraw/zinc/09/42/85/431094285.db2.gz LYEHHGLPXMTLMM-ROUUACIJSA-N 2 1 304.482 2.744 20 0 DFADMP Oc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655714343 431094622 /nfs/dbraw/zinc/09/46/22/431094622.db2.gz AYMXDUHYPPWPLB-YJBOKZPZSA-N 2 1 316.445 2.613 20 0 DFADMP C[C@@H](CCc1cccn1C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655718880 431099257 /nfs/dbraw/zinc/09/92/57/431099257.db2.gz FKSFBPGQZDKGIW-QFBILLFUSA-N 2 1 319.493 2.579 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655723982 431101300 /nfs/dbraw/zinc/10/13/00/431101300.db2.gz KGKMYTMHIDZGOR-APWZRJJASA-N 2 1 302.462 2.941 20 0 DFADMP CCc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655727716 431104294 /nfs/dbraw/zinc/10/42/94/431104294.db2.gz ULMWLPYMDHQTNJ-IBGZPJMESA-N 2 1 302.462 2.634 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N ZINC000649450891 431104442 /nfs/dbraw/zinc/10/44/42/431104442.db2.gz BXQWCTZBDHOZDP-CRAIPNDOSA-N 2 1 310.445 2.664 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N ZINC000649450891 431104448 /nfs/dbraw/zinc/10/44/48/431104448.db2.gz BXQWCTZBDHOZDP-CRAIPNDOSA-N 2 1 310.445 2.664 20 0 DFADMP c1ccc(C[C@@H]2C[C@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655731272 431106667 /nfs/dbraw/zinc/10/66/67/431106667.db2.gz WGFXRVYJJXYNGJ-YZGWKJHDSA-N 2 1 314.473 2.851 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000662526543 431106997 /nfs/dbraw/zinc/10/69/97/431106997.db2.gz GYKSHIFDTOROKI-MHORFTMASA-N 2 1 323.525 2.861 20 0 DFADMP c1ccc2c(c1)CC[C@H]2CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771485 431129424 /nfs/dbraw/zinc/12/94/24/431129424.db2.gz LXTMMYZMRLOFRY-PKOBYXMFSA-N 2 1 314.473 2.949 20 0 DFADMP Cc1cncc(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000649502441 431127361 /nfs/dbraw/zinc/12/73/61/431127361.db2.gz GHDOVJRDTJSXBI-GOSISDBHSA-N 2 1 316.493 2.771 20 0 DFADMP Cc1cncc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000649502441 431127367 /nfs/dbraw/zinc/12/73/67/431127367.db2.gz GHDOVJRDTJSXBI-GOSISDBHSA-N 2 1 316.493 2.771 20 0 DFADMP C[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662594083 431127790 /nfs/dbraw/zinc/12/77/90/431127790.db2.gz RJIMPXPNYQARDD-ZMSDIMECSA-N 2 1 317.477 2.559 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000361498187 279151464 /nfs/dbraw/zinc/15/14/64/279151464.db2.gz SAMWBBARMWBKDK-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000361498189 279168193 /nfs/dbraw/zinc/16/81/93/279168193.db2.gz SAMWBBARMWBKDK-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(CCC[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C)CC(F)(F)F ZINC000355096501 279179628 /nfs/dbraw/zinc/17/96/28/279179628.db2.gz LDBUIGQXFIGCSV-LSDHHAIUSA-N 2 1 323.447 2.923 20 0 DFADMP CCN(CCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)CC(F)(F)F ZINC000355096501 279179629 /nfs/dbraw/zinc/17/96/29/279179629.db2.gz LDBUIGQXFIGCSV-LSDHHAIUSA-N 2 1 323.447 2.923 20 0 DFADMP CCN(CCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C)CC(F)(F)F ZINC000355096501 279179631 /nfs/dbraw/zinc/17/96/31/279179631.db2.gz LDBUIGQXFIGCSV-LSDHHAIUSA-N 2 1 323.447 2.923 20 0 DFADMP C[C@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000274928846 279348399 /nfs/dbraw/zinc/34/83/99/279348399.db2.gz QNICHMBJEQLARC-AOIWGVFYSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000274928846 279348401 /nfs/dbraw/zinc/34/84/01/279348401.db2.gz QNICHMBJEQLARC-AOIWGVFYSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000274928846 279348403 /nfs/dbraw/zinc/34/84/03/279348403.db2.gz QNICHMBJEQLARC-AOIWGVFYSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928846 279348405 /nfs/dbraw/zinc/34/84/05/279348405.db2.gz QNICHMBJEQLARC-AOIWGVFYSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928846 279348407 /nfs/dbraw/zinc/34/84/07/279348407.db2.gz QNICHMBJEQLARC-AOIWGVFYSA-N 2 1 315.505 2.969 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353570856 279383097 /nfs/dbraw/zinc/38/30/97/279383097.db2.gz UAYJGNZKJYGBNB-HNNXBMFYSA-N 2 1 311.514 2.732 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353570856 279383100 /nfs/dbraw/zinc/38/31/00/279383100.db2.gz UAYJGNZKJYGBNB-HNNXBMFYSA-N 2 1 311.514 2.732 20 0 DFADMP CN(C[C@@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649560403 431161374 /nfs/dbraw/zinc/16/13/74/431161374.db2.gz LCXIELPJUMEFDY-IBGZPJMESA-N 2 1 301.478 2.677 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCC2(C)C)c1 ZINC000662695271 431165265 /nfs/dbraw/zinc/16/52/65/431165265.db2.gz IYIDIBSOFZATKZ-QGZVFWFLSA-N 2 1 317.477 2.531 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646073975 431173416 /nfs/dbraw/zinc/17/34/16/431173416.db2.gz MRAXYWYEUISECR-AABGKKOBSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646073975 431173421 /nfs/dbraw/zinc/17/34/21/431173421.db2.gz MRAXYWYEUISECR-AABGKKOBSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646073975 431173425 /nfs/dbraw/zinc/17/34/25/431173425.db2.gz MRAXYWYEUISECR-AABGKKOBSA-N 2 1 316.489 2.929 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659901156 431181145 /nfs/dbraw/zinc/18/11/45/431181145.db2.gz UGTWBHGFUDDEES-JZXOWHBKSA-N 2 1 304.482 2.806 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(CC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000659901156 431181152 /nfs/dbraw/zinc/18/11/52/431181152.db2.gz UGTWBHGFUDDEES-JZXOWHBKSA-N 2 1 304.482 2.806 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC000659911255 431182389 /nfs/dbraw/zinc/18/23/89/431182389.db2.gz WNCMSWGKTGQKNN-AKHDSKFASA-N 2 1 305.510 2.525 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662745327 431182626 /nfs/dbraw/zinc/18/26/26/431182626.db2.gz LYWSZXABKNICOU-AEFFLSMTSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+]([C@H]1CCc3ccc(F)cc31)CCO2 ZINC000646104847 431188781 /nfs/dbraw/zinc/18/87/81/431188781.db2.gz QMAISRIFMNKGCD-KRWDZBQOSA-N 2 1 304.409 2.610 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCc3ccc(F)cc31)CCO2 ZINC000646104847 431188784 /nfs/dbraw/zinc/18/87/84/431188784.db2.gz QMAISRIFMNKGCD-KRWDZBQOSA-N 2 1 304.409 2.610 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000659920809 431189256 /nfs/dbraw/zinc/18/92/56/431189256.db2.gz QQYWXRLHXBDBAV-RDJZCZTQSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000659920809 431189262 /nfs/dbraw/zinc/18/92/62/431189262.db2.gz QQYWXRLHXBDBAV-RDJZCZTQSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000659920809 431189269 /nfs/dbraw/zinc/18/92/69/431189269.db2.gz QQYWXRLHXBDBAV-RDJZCZTQSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000659920809 431189276 /nfs/dbraw/zinc/18/92/76/431189276.db2.gz QQYWXRLHXBDBAV-RDJZCZTQSA-N 2 1 310.869 2.830 20 0 DFADMP Cc1cc(Cl)ccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106157 431189896 /nfs/dbraw/zinc/18/98/96/431189896.db2.gz QERNUOJWKFPWNS-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP Cc1cc(Cl)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106157 431189904 /nfs/dbraw/zinc/18/99/04/431189904.db2.gz QERNUOJWKFPWNS-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP Cc1cccc(CCC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106058 431190153 /nfs/dbraw/zinc/19/01/53/431190153.db2.gz PIHPVIDHNSDOIY-UHFFFAOYSA-N 2 1 302.462 2.724 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@@H]1CCOC1 ZINC000659928709 431191872 /nfs/dbraw/zinc/19/18/72/431191872.db2.gz LQMJBNKHUGAXMK-FCGDIQPGSA-N 2 1 324.509 2.624 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@@H]1CCOC1 ZINC000659928709 431191880 /nfs/dbraw/zinc/19/18/80/431191880.db2.gz LQMJBNKHUGAXMK-FCGDIQPGSA-N 2 1 324.509 2.624 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@@H]1CCOC1 ZINC000659928709 431191888 /nfs/dbraw/zinc/19/18/88/431191888.db2.gz LQMJBNKHUGAXMK-FCGDIQPGSA-N 2 1 324.509 2.624 20 0 DFADMP Cc1cncc(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000649545607 431153408 /nfs/dbraw/zinc/15/34/08/431153408.db2.gz LDGDZWOXMVEXRK-IBGZPJMESA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cncc(CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)n1 ZINC000649545607 431153413 /nfs/dbraw/zinc/15/34/13/431153413.db2.gz LDGDZWOXMVEXRK-IBGZPJMESA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cncc(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000649545607 431153421 /nfs/dbraw/zinc/15/34/21/431153421.db2.gz LDGDZWOXMVEXRK-IBGZPJMESA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cncc(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000649545607 431153428 /nfs/dbraw/zinc/15/34/28/431153428.db2.gz LDGDZWOXMVEXRK-IBGZPJMESA-N 2 1 324.472 2.781 20 0 DFADMP CCOc1ccc(CN(C[C@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000659859554 431154482 /nfs/dbraw/zinc/15/44/82/431154482.db2.gz JUAFMYOBRZRZLO-GOSISDBHSA-N 2 1 322.493 2.997 20 0 DFADMP CCOc1ccc(C[NH+](C[C@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC000659859554 431154505 /nfs/dbraw/zinc/15/45/05/431154505.db2.gz JUAFMYOBRZRZLO-GOSISDBHSA-N 2 1 322.493 2.997 20 0 DFADMP CCOc1ccc(C[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000659859554 431154512 /nfs/dbraw/zinc/15/45/12/431154512.db2.gz JUAFMYOBRZRZLO-GOSISDBHSA-N 2 1 322.493 2.997 20 0 DFADMP C[C@@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662669459 431156345 /nfs/dbraw/zinc/15/63/45/431156345.db2.gz ZNFKQPAGONGTHO-RDJZCZTQSA-N 2 1 321.509 2.535 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000662668487 431157656 /nfs/dbraw/zinc/15/76/56/431157656.db2.gz NIEDKFLMMOKDLA-WMLDXEAASA-N 2 1 315.461 2.843 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)[C@H](C)C1 ZINC000666228924 431158082 /nfs/dbraw/zinc/15/80/82/431158082.db2.gz ZJUKJLKWKADNIC-KBXIAJHMSA-N 2 1 304.425 2.757 20 0 DFADMP Cc1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1C ZINC000649624611 431204889 /nfs/dbraw/zinc/20/48/89/431204889.db2.gz QKDNGXANBPQKOX-UHFFFAOYSA-N 2 1 302.462 2.630 20 0 DFADMP O[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000646297918 431257817 /nfs/dbraw/zinc/25/78/17/431257817.db2.gz KENYQDCAEAGCHN-GOSISDBHSA-N 2 1 318.461 2.508 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655910573 431212566 /nfs/dbraw/zinc/21/25/66/431212566.db2.gz YQRHNRKBJCATPR-IAGOWNOFSA-N 2 1 316.449 2.592 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000662845762 431213164 /nfs/dbraw/zinc/21/31/64/431213164.db2.gz KOYPONXPBDCFAU-WFASDCNBSA-N 2 1 323.868 2.576 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660013412 431234212 /nfs/dbraw/zinc/23/42/12/431234212.db2.gz XEDAXKXARXRJBX-VNTMZGSJSA-N 2 1 314.473 2.886 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660013412 431234218 /nfs/dbraw/zinc/23/42/18/431234218.db2.gz XEDAXKXARXRJBX-VNTMZGSJSA-N 2 1 314.473 2.886 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C1CC1)[C@H]1CCc2ccccc21 ZINC000660035839 431242909 /nfs/dbraw/zinc/24/29/09/431242909.db2.gz DEEVQBNOOCXAMD-HKUYNNGSSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C1CC1)[C@H]1CCc2ccccc21 ZINC000660035839 431242914 /nfs/dbraw/zinc/24/29/14/431242914.db2.gz DEEVQBNOOCXAMD-HKUYNNGSSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000660035839 431242921 /nfs/dbraw/zinc/24/29/21/431242921.db2.gz DEEVQBNOOCXAMD-HKUYNNGSSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C1CC1)[C@H]1CCc2ccccc21 ZINC000660035839 431242925 /nfs/dbraw/zinc/24/29/25/431242925.db2.gz DEEVQBNOOCXAMD-HKUYNNGSSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000646401669 431298290 /nfs/dbraw/zinc/29/82/90/431298290.db2.gz PKLFTYOTXTXVQD-CQSZACIVSA-N 2 1 324.494 2.831 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@@H](C)CC[NH2+]1)C1CCCCC1 ZINC000653200972 431306651 /nfs/dbraw/zinc/30/66/51/431306651.db2.gz VVSRCQKZZUEXHA-RDJZCZTQSA-N 2 1 309.498 2.535 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000660200734 431314998 /nfs/dbraw/zinc/31/49/98/431314998.db2.gz TZDKDDALNIAHQT-AEFFLSMTSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000660200734 431315004 /nfs/dbraw/zinc/31/50/04/431315004.db2.gz TZDKDDALNIAHQT-AEFFLSMTSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+]CC2)c1 ZINC000653112639 431271564 /nfs/dbraw/zinc/27/15/64/431271564.db2.gz FFCQXTGUXCJFPL-SFHVURJKSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H](O)C[N@@H+](C)C(C)C ZINC000660213579 431323454 /nfs/dbraw/zinc/32/34/54/431323454.db2.gz SROZNCITDOVIDS-ROUUACIJSA-N 2 1 310.457 2.684 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n(CC2CC2)n1 ZINC000663343998 431372297 /nfs/dbraw/zinc/37/22/97/431372297.db2.gz LTXMVTHKGDVOIE-KRWDZBQOSA-N 2 1 302.466 2.505 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n(CC2CC2)n1 ZINC000663343998 431372301 /nfs/dbraw/zinc/37/23/01/431372301.db2.gz LTXMVTHKGDVOIE-KRWDZBQOSA-N 2 1 302.466 2.505 20 0 DFADMP C[C@@H](O)C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000656280235 431351607 /nfs/dbraw/zinc/35/16/07/431351607.db2.gz XJKUSGYIILZPRY-MRXNPFEDSA-N 2 1 318.461 2.506 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000660276655 431353804 /nfs/dbraw/zinc/35/38/04/431353804.db2.gz RLZCYPZTDWZSML-GOSISDBHSA-N 2 1 304.478 2.833 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000653298745 431358372 /nfs/dbraw/zinc/35/83/72/431358372.db2.gz FVPHIECNWICKEU-NWDGAFQWSA-N 2 1 302.340 2.896 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000653298745 431358378 /nfs/dbraw/zinc/35/83/78/431358378.db2.gz FVPHIECNWICKEU-NWDGAFQWSA-N 2 1 302.340 2.896 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C(C)(C)C)n1 ZINC000663346240 431375179 /nfs/dbraw/zinc/37/51/79/431375179.db2.gz RLUYBONCMIFWHC-INIZCTEOSA-N 2 1 318.509 2.929 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C(C)(C)C)n1 ZINC000663346240 431375187 /nfs/dbraw/zinc/37/51/87/431375187.db2.gz RLUYBONCMIFWHC-INIZCTEOSA-N 2 1 318.509 2.929 20 0 DFADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000663347878 431376285 /nfs/dbraw/zinc/37/62/85/431376285.db2.gz YZTFWRJGBYKCFC-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(OC)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000663347878 431376293 /nfs/dbraw/zinc/37/62/93/431376293.db2.gz YZTFWRJGBYKCFC-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855467 431386875 /nfs/dbraw/zinc/38/68/75/431386875.db2.gz UJSHTWYEHGRUAX-GFCCVEGCSA-N 2 1 301.203 2.820 20 0 DFADMP Fc1ccc(CC[NH+]2CCC(N[C@@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000666858040 431387031 /nfs/dbraw/zinc/38/70/31/431387031.db2.gz ULGUWDPALNOAOQ-GOSISDBHSA-N 2 1 319.468 2.564 20 0 DFADMP C[N@@H+](Cc1cnc2ccccc2n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000660348606 431392083 /nfs/dbraw/zinc/39/20/83/431392083.db2.gz RSNVNNNIYGUBKF-AWEZNQCLSA-N 2 1 307.401 2.521 20 0 DFADMP C[N@H+](Cc1cnc2ccccc2n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000660348606 431392090 /nfs/dbraw/zinc/39/20/90/431392090.db2.gz RSNVNNNIYGUBKF-AWEZNQCLSA-N 2 1 307.401 2.521 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)CCCO1 ZINC000365315346 288163062 /nfs/dbraw/zinc/16/30/62/288163062.db2.gz GJSIJJVDSBPDJN-NCXUSEDFSA-N 2 1 324.509 2.672 20 0 DFADMP CCC[C@@H]([NH3+])c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656469010 431396407 /nfs/dbraw/zinc/39/64/07/431396407.db2.gz YMMOTPFXSLXTMK-DLBZAZTESA-N 2 1 313.449 2.600 20 0 DFADMP C[C@H](c1nccc(N)n1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653493316 431400882 /nfs/dbraw/zinc/40/08/82/431400882.db2.gz SBYJHAZUJXGNPZ-OAHLLOKOSA-N 2 1 317.481 2.538 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1)C(C)C ZINC000646993266 431439018 /nfs/dbraw/zinc/43/90/18/431439018.db2.gz PLZYZBIILGLLEG-UHFFFAOYSA-N 2 1 317.477 2.870 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]C3(CCC3)C1)O[C@@H](C)C2 ZINC000666998288 431440914 /nfs/dbraw/zinc/44/09/14/431440914.db2.gz LZKDFWFPWVFUTR-XJKSGUPXSA-N 2 1 316.445 2.783 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCNC[C@H]1c1ccccc1Cl ZINC000663495249 431442476 /nfs/dbraw/zinc/44/24/76/431442476.db2.gz WIEIYBDPNLAMBV-CPUCHLNUSA-N 2 1 307.869 2.532 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCNC[C@H]1c1ccccc1Cl ZINC000663495249 431442480 /nfs/dbraw/zinc/44/24/80/431442480.db2.gz WIEIYBDPNLAMBV-CPUCHLNUSA-N 2 1 307.869 2.532 20 0 DFADMP Nc1ccc2c(c1)CCC[C@@H]2[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663495692 431442853 /nfs/dbraw/zinc/44/28/53/431442853.db2.gz ASQWLDMMPJRWNX-AWEZNQCLSA-N 2 1 314.458 2.538 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000653573733 431443152 /nfs/dbraw/zinc/44/31/52/431443152.db2.gz LGSMODJNISIBBL-IRXDYDNUSA-N 2 1 315.461 2.660 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000653573733 431443159 /nfs/dbraw/zinc/44/31/59/431443159.db2.gz LGSMODJNISIBBL-IRXDYDNUSA-N 2 1 315.461 2.660 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000653573733 431443166 /nfs/dbraw/zinc/44/31/66/431443166.db2.gz LGSMODJNISIBBL-IRXDYDNUSA-N 2 1 315.461 2.660 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000667041717 431456980 /nfs/dbraw/zinc/45/69/80/431456980.db2.gz LMNPMZWMAKNZDZ-PBHICJAKSA-N 2 1 323.506 2.985 20 0 DFADMP FCCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000663463104 431427778 /nfs/dbraw/zinc/42/77/78/431427778.db2.gz WKYKJFXEPVKJAL-GUDVDZBRSA-N 2 1 320.452 2.863 20 0 DFADMP FCCOCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000663463105 431429086 /nfs/dbraw/zinc/42/90/86/431429086.db2.gz WKYKJFXEPVKJAL-IPMKNSEASA-N 2 1 320.452 2.863 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466475 431432190 /nfs/dbraw/zinc/43/21/90/431432190.db2.gz UHAHCXHBDDFROX-WBVHZDCISA-N 2 1 302.466 2.509 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466475 431432195 /nfs/dbraw/zinc/43/21/95/431432195.db2.gz UHAHCXHBDDFROX-WBVHZDCISA-N 2 1 302.466 2.509 20 0 DFADMP COCc1cnc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)s1 ZINC000656784530 431519125 /nfs/dbraw/zinc/51/91/25/431519125.db2.gz BUXNXCUZKAWVIH-AWEZNQCLSA-N 2 1 309.479 2.501 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)C[NH2+]CC2 ZINC000656783325 431521068 /nfs/dbraw/zinc/52/10/68/431521068.db2.gz PEACTAKIIXGTOV-LJQANCHMSA-N 3 1 313.489 2.544 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786516 431523059 /nfs/dbraw/zinc/52/30/59/431523059.db2.gz TZNJHQMTONUGAB-MRXNPFEDSA-N 2 1 312.461 2.785 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CCCC1 ZINC000656788250 431523766 /nfs/dbraw/zinc/52/37/66/431523766.db2.gz GMTBCDRNLBVBDN-KRWDZBQOSA-N 2 1 304.434 2.606 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@H]1Cc1ccccc1F ZINC000653779278 431524602 /nfs/dbraw/zinc/52/46/02/431524602.db2.gz SKPSFGWMDAMHHS-DLBZAZTESA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779278 431524616 /nfs/dbraw/zinc/52/46/16/431524616.db2.gz SKPSFGWMDAMHHS-DLBZAZTESA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779278 431524620 /nfs/dbraw/zinc/52/46/20/431524620.db2.gz SKPSFGWMDAMHHS-DLBZAZTESA-N 2 1 308.441 2.535 20 0 DFADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000647248774 431528076 /nfs/dbraw/zinc/52/80/76/431528076.db2.gz BVAGKUMNAUXHBW-AEFFLSMTSA-N 2 1 320.440 2.998 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2[nH]nc3ccccc32)[C@H](c2ccccc2)C1 ZINC000647248774 431528083 /nfs/dbraw/zinc/52/80/83/431528083.db2.gz BVAGKUMNAUXHBW-AEFFLSMTSA-N 2 1 320.440 2.998 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000647249389 431528293 /nfs/dbraw/zinc/52/82/93/431528293.db2.gz WXIGCEOQLPSQOB-PHAGKYIGSA-N 2 1 302.462 2.877 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647151387 431481582 /nfs/dbraw/zinc/48/15/82/431481582.db2.gz DPNYIWVYRPDZEU-HOTGVXAUSA-N 2 1 312.417 2.874 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC000656694795 431481545 /nfs/dbraw/zinc/48/15/45/431481545.db2.gz VDLVFDKDPYZHMB-SJLPKXTDSA-N 2 1 308.466 2.683 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000656694795 431481551 /nfs/dbraw/zinc/48/15/51/431481551.db2.gz VDLVFDKDPYZHMB-SJLPKXTDSA-N 2 1 308.466 2.683 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)Cc1cccc2ccccc21 ZINC000656695132 431481905 /nfs/dbraw/zinc/48/19/05/431481905.db2.gz ATWHSUKCKBUJJY-GOSISDBHSA-N 2 1 300.446 2.973 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)Cc1cccc2ccccc21 ZINC000656695132 431481909 /nfs/dbraw/zinc/48/19/09/431481909.db2.gz ATWHSUKCKBUJJY-GOSISDBHSA-N 2 1 300.446 2.973 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)Cc1cccc2ccccc21 ZINC000656695132 431481914 /nfs/dbraw/zinc/48/19/14/431481914.db2.gz ATWHSUKCKBUJJY-GOSISDBHSA-N 2 1 300.446 2.973 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000656695132 431481919 /nfs/dbraw/zinc/48/19/19/431481919.db2.gz ATWHSUKCKBUJJY-GOSISDBHSA-N 2 1 300.446 2.973 20 0 DFADMP FC1(F)CCC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000647183454 431497232 /nfs/dbraw/zinc/49/72/32/431497232.db2.gz ZBATVTBGQSUJHH-HNNXBMFYSA-N 2 1 302.409 2.797 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CO[C@@H](C)C3)CC2)cs1 ZINC000647182017 431497526 /nfs/dbraw/zinc/49/75/26/431497526.db2.gz BTCLWCRIQUZPHP-ZFWWWQNUSA-N 2 1 323.506 2.685 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663829477 431557229 /nfs/dbraw/zinc/55/72/29/431557229.db2.gz RAQUWRJWDHXPOQ-OAHLLOKOSA-N 2 1 318.461 2.649 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000647343907 431559994 /nfs/dbraw/zinc/55/99/94/431559994.db2.gz FSKVJLJXCXNMGH-RDGPPVDQSA-N 2 1 302.462 2.737 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343970 431560290 /nfs/dbraw/zinc/56/02/90/431560290.db2.gz GTFJNXSCJSSPBN-RNQOJCNYSA-N 2 1 315.505 2.652 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343970 431560296 /nfs/dbraw/zinc/56/02/96/431560296.db2.gz GTFJNXSCJSSPBN-RNQOJCNYSA-N 2 1 315.505 2.652 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@@H](C)C1 ZINC000647343970 431560303 /nfs/dbraw/zinc/56/03/03/431560303.db2.gz GTFJNXSCJSSPBN-RNQOJCNYSA-N 2 1 315.505 2.652 20 0 DFADMP COc1ccc(COCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660658388 431537613 /nfs/dbraw/zinc/53/76/13/431537613.db2.gz FUPMPRGRRZEKSZ-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660658388 431537621 /nfs/dbraw/zinc/53/76/21/431537621.db2.gz FUPMPRGRRZEKSZ-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660658388 431537625 /nfs/dbraw/zinc/53/76/25/431537625.db2.gz FUPMPRGRRZEKSZ-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660658388 431537634 /nfs/dbraw/zinc/53/76/34/431537634.db2.gz FUPMPRGRRZEKSZ-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP CC(C)C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccncc1 ZINC000647288250 431540401 /nfs/dbraw/zinc/54/04/01/431540401.db2.gz VSLSLOSFUKJMIC-IBGZPJMESA-N 2 1 318.509 2.786 20 0 DFADMP Cc1cc(C)cc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660692360 431553626 /nfs/dbraw/zinc/55/36/26/431553626.db2.gz LERLHIUCFLIFJE-UHFFFAOYSA-N 2 1 304.478 2.876 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000660697976 431554992 /nfs/dbraw/zinc/55/49/92/431554992.db2.gz MBFUQOZVFBFOTM-ROUUACIJSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000152980675 280012777 /nfs/dbraw/zinc/01/27/77/280012777.db2.gz ZDKZPBXPJSNYQR-QXAKKESOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000152980675 280012780 /nfs/dbraw/zinc/01/27/80/280012780.db2.gz ZDKZPBXPJSNYQR-QXAKKESOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000152980675 280012783 /nfs/dbraw/zinc/01/27/83/280012783.db2.gz ZDKZPBXPJSNYQR-QXAKKESOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000152980675 280012786 /nfs/dbraw/zinc/01/27/86/280012786.db2.gz ZDKZPBXPJSNYQR-QXAKKESOSA-N 2 1 301.478 2.723 20 0 DFADMP CC(C)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000080718313 280168343 /nfs/dbraw/zinc/16/83/43/280168343.db2.gz GPRXUWOPRZFBKA-HQSKLWIPSA-N 2 1 321.509 2.628 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302728 280197520 /nfs/dbraw/zinc/19/75/20/280197520.db2.gz AMYDXYHIALEMNV-VNQPRFMTSA-N 2 1 304.434 2.981 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302728 280197524 /nfs/dbraw/zinc/19/75/24/280197524.db2.gz AMYDXYHIALEMNV-VNQPRFMTSA-N 2 1 304.434 2.981 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2CC2CCCC2)CC1 ZINC000653894076 431572323 /nfs/dbraw/zinc/57/23/23/431572323.db2.gz UBEGQAQKNURXNY-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000647498201 431604894 /nfs/dbraw/zinc/60/48/94/431604894.db2.gz COTGPVUYRREAGP-OCCSQVGLSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)CC[C@@H]1[NH3+] ZINC000647498201 431604900 /nfs/dbraw/zinc/60/49/00/431604900.db2.gz COTGPVUYRREAGP-OCCSQVGLSA-N 2 1 302.447 2.764 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480325 431602982 /nfs/dbraw/zinc/60/29/82/431602982.db2.gz JSCVOYCOMGDSPN-MSOLQXFVSA-N 2 1 314.477 2.646 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480325 431602989 /nfs/dbraw/zinc/60/29/89/431602989.db2.gz JSCVOYCOMGDSPN-MSOLQXFVSA-N 2 1 314.477 2.646 20 0 DFADMP C[N@H+]1CCN(c2[nH+]ccc3[nH]ccc32)C[C@H]1Cc1ccccc1 ZINC000663887203 431579857 /nfs/dbraw/zinc/57/98/57/431579857.db2.gz DURBSRIWCBKOJN-MRXNPFEDSA-N 2 1 306.413 2.926 20 0 DFADMP C[N@H+]1CCN(c2[nH+]ccc3[nH]ccc32)C[C@@H]1Cc1ccccc1 ZINC000663887202 431580543 /nfs/dbraw/zinc/58/05/43/431580543.db2.gz DURBSRIWCBKOJN-INIZCTEOSA-N 2 1 306.413 2.926 20 0 DFADMP COCc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707015 431652332 /nfs/dbraw/zinc/65/23/32/431652332.db2.gz WYNVZDMPJBHJBE-GBESFXJTSA-N 2 1 318.461 2.551 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650707138 431653321 /nfs/dbraw/zinc/65/33/21/431653321.db2.gz ZGXSVDBAQKJXOP-LZLYRXPVSA-N 2 1 306.425 2.852 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000650705672 431653797 /nfs/dbraw/zinc/65/37/97/431653797.db2.gz QFTJBRXEIAMZNT-AHIWAGSCSA-N 2 1 310.388 2.683 20 0 DFADMP CC1CC[NH+](CCC[NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657294640 431656297 /nfs/dbraw/zinc/65/62/97/431656297.db2.gz UAVDXWNYMVKSTG-UHFFFAOYSA-N 2 1 304.482 2.899 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000650711203 431657576 /nfs/dbraw/zinc/65/75/76/431657576.db2.gz LJRNXCNGGVPNNS-RDTXWAMCSA-N 3 1 313.449 2.525 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000647497367 431607104 /nfs/dbraw/zinc/60/71/04/431607104.db2.gz FBKNWJXDLUCKNR-DOMZBBRYSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000647497367 431607109 /nfs/dbraw/zinc/60/71/09/431607109.db2.gz FBKNWJXDLUCKNR-DOMZBBRYSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@H]1[NH3+] ZINC000647499086 431609531 /nfs/dbraw/zinc/60/95/31/431609531.db2.gz ZGEJTZRKULLNMX-NVXWUHKLSA-N 2 1 312.417 2.828 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCCCOC)c2)CC[C@H]1[NH3+] ZINC000647498850 431610444 /nfs/dbraw/zinc/61/04/44/431610444.db2.gz RYFLDMXXMMFVHP-SJLPKXTDSA-N 2 1 306.450 2.661 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647509238 431610999 /nfs/dbraw/zinc/61/09/99/431610999.db2.gz XAWUUMOMMWHIBK-KGLIPLIRSA-N 2 1 318.852 2.754 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531209 431617165 /nfs/dbraw/zinc/61/71/65/431617165.db2.gz HCRLWRQLIGWEGQ-UHFFFAOYSA-N 2 1 316.424 2.941 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000647531380 431618092 /nfs/dbraw/zinc/61/80/92/431618092.db2.gz SATTZPUVGHGIRJ-QGZVFWFLSA-N 2 1 304.434 2.558 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544165 431625599 /nfs/dbraw/zinc/62/55/99/431625599.db2.gz XSBYUNKTSWARFZ-CVEARBPZSA-N 2 1 316.445 2.669 20 0 DFADMP c1cc2c(c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542942 431626136 /nfs/dbraw/zinc/62/61/36/431626136.db2.gz FAVXDTGZRLBEBL-GJZGRUSLSA-N 2 1 302.418 2.627 20 0 DFADMP COc1c(C)nc(C2CC2)nc1NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000664138896 431667809 /nfs/dbraw/zinc/66/78/09/431667809.db2.gz LSLJGVFCRDIIBF-ZDUSSCGKSA-N 2 1 304.438 2.956 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657313000 431669424 /nfs/dbraw/zinc/66/94/24/431669424.db2.gz OTCWYXMAHXPZDI-IYBDPMFKSA-N 2 1 304.482 2.751 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657313000 431669433 /nfs/dbraw/zinc/66/94/33/431669433.db2.gz OTCWYXMAHXPZDI-IYBDPMFKSA-N 2 1 304.482 2.751 20 0 DFADMP Cc1cc(C(F)(F)F)cc(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664245364 431712921 /nfs/dbraw/zinc/71/29/21/431712921.db2.gz PGEPWRXHCUEIEH-UHFFFAOYSA-N 2 1 318.387 2.704 20 0 DFADMP Cc1cc(C(F)(F)F)cc(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664245364 431712925 /nfs/dbraw/zinc/71/29/25/431712925.db2.gz PGEPWRXHCUEIEH-UHFFFAOYSA-N 2 1 318.387 2.704 20 0 DFADMP C[C@@H](C[NH2+]Cc1c(C(F)(F)F)cnn1C)C[NH+]1CCCCC1 ZINC000657317107 431673940 /nfs/dbraw/zinc/67/39/40/431673940.db2.gz QFWPAEJFKUTWDH-LBPRGKRZSA-N 2 1 318.387 2.651 20 0 DFADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650747703 431676908 /nfs/dbraw/zinc/67/69/08/431676908.db2.gz GACGQMQTPRPGAC-KRWDZBQOSA-N 2 1 315.505 2.801 20 0 DFADMP c1ccc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000647788517 431686715 /nfs/dbraw/zinc/68/67/15/431686715.db2.gz LBUFRGALTNJRCK-IPMKNSEASA-N 2 1 302.462 2.756 20 0 DFADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+][C@H](C)C[NH+](CC)CC ZINC000657347780 431691582 /nfs/dbraw/zinc/69/15/82/431691582.db2.gz XNSDSSSNQGPYPK-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nccc2c(N)cccc21 ZINC000664194988 431691654 /nfs/dbraw/zinc/69/16/54/431691654.db2.gz JEMCQQLBVYXRCG-AWEZNQCLSA-N 2 1 315.465 2.501 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nc2ccc(N)cc2s1 ZINC000664195938 431692436 /nfs/dbraw/zinc/69/24/36/431692436.db2.gz OKWLUODFEFXMDM-LBPRGKRZSA-N 2 1 321.494 2.562 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nc2ccc(N)cc2s1 ZINC000664195938 431692441 /nfs/dbraw/zinc/69/24/41/431692441.db2.gz OKWLUODFEFXMDM-LBPRGKRZSA-N 2 1 321.494 2.562 20 0 DFADMP Cc1csc2c1ncnc2N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664195926 431693377 /nfs/dbraw/zinc/69/33/77/431693377.db2.gz OGZWTNYAVPHHDX-ZDUSSCGKSA-N 2 1 321.494 2.684 20 0 DFADMP Cc1csc2c1ncnc2N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664195926 431693381 /nfs/dbraw/zinc/69/33/81/431693381.db2.gz OGZWTNYAVPHHDX-ZDUSSCGKSA-N 2 1 321.494 2.684 20 0 DFADMP CCOc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c(C)c1 ZINC000657349746 431693505 /nfs/dbraw/zinc/69/35/05/431693505.db2.gz LDGCSVWOPQIFKX-UHFFFAOYSA-N 2 1 319.493 2.511 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1nnc(C(C)(C)C)s1 ZINC000664195282 431693685 /nfs/dbraw/zinc/69/36/85/431693685.db2.gz AVRPXFSEDKZCBM-LBPRGKRZSA-N 2 1 313.515 2.520 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1nnc(C(C)(C)C)s1 ZINC000664195282 431693688 /nfs/dbraw/zinc/69/36/88/431693688.db2.gz AVRPXFSEDKZCBM-LBPRGKRZSA-N 2 1 313.515 2.520 20 0 DFADMP Cc1cccc2ncnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c12 ZINC000664195272 431693846 /nfs/dbraw/zinc/69/38/46/431693846.db2.gz APHFNMFCTMHNAZ-HNNXBMFYSA-N 2 1 315.465 2.622 20 0 DFADMP Cc1cccc2ncnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c12 ZINC000664195272 431693848 /nfs/dbraw/zinc/69/38/48/431693848.db2.gz APHFNMFCTMHNAZ-HNNXBMFYSA-N 2 1 315.465 2.622 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000657354587 431695873 /nfs/dbraw/zinc/69/58/73/431695873.db2.gz SGDUOQUITZXMRF-CEXWTWQISA-N 2 1 302.462 2.708 20 0 DFADMP c1ccc(CCOCCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814846 431695948 /nfs/dbraw/zinc/69/59/48/431695948.db2.gz IMDJFIIGRKOFDQ-UHFFFAOYSA-N 2 1 302.462 2.852 20 0 DFADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000657357201 431699192 /nfs/dbraw/zinc/69/91/92/431699192.db2.gz YXPICNFHROMLSG-GOSISDBHSA-N 2 1 320.477 2.720 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650722453 431663880 /nfs/dbraw/zinc/66/38/80/431663880.db2.gz UGZHDFAIJZPIRA-KYJSFNMBSA-N 2 1 322.424 2.695 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000647912756 431725500 /nfs/dbraw/zinc/72/55/00/431725500.db2.gz YWKZBMPTBZNJDJ-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@](C)(C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912756 431725506 /nfs/dbraw/zinc/72/55/06/431725506.db2.gz YWKZBMPTBZNJDJ-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912756 431725511 /nfs/dbraw/zinc/72/55/11/431725511.db2.gz YWKZBMPTBZNJDJ-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@](C)(C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912756 431725516 /nfs/dbraw/zinc/72/55/16/431725516.db2.gz YWKZBMPTBZNJDJ-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@](C)(C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912756 431725521 /nfs/dbraw/zinc/72/55/21/431725521.db2.gz YWKZBMPTBZNJDJ-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429190 431743485 /nfs/dbraw/zinc/74/34/85/431743485.db2.gz DSOJNRWBWHSJPJ-SJLPKXTDSA-N 2 1 324.472 2.830 20 0 DFADMP CC(C)(CO)[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1cccnc1 ZINC000647953262 431748321 /nfs/dbraw/zinc/74/83/21/431748321.db2.gz ZUSIOHQRRMYOQL-KRWDZBQOSA-N 2 1 305.466 2.607 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966567 431753292 /nfs/dbraw/zinc/75/32/92/431753292.db2.gz ZJKBHSOPIRPCLN-DLBZAZTESA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966567 431753299 /nfs/dbraw/zinc/75/32/99/431753299.db2.gz ZJKBHSOPIRPCLN-DLBZAZTESA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966567 431753303 /nfs/dbraw/zinc/75/33/03/431753303.db2.gz ZJKBHSOPIRPCLN-DLBZAZTESA-N 2 1 323.525 2.545 20 0 DFADMP Cc1ncc(CN[C@H](C)[C@@H](c2ccccc2C)[NH+](C)C)n1C ZINC000657446175 431756517 /nfs/dbraw/zinc/75/65/17/431756517.db2.gz LEXSYAZZAUHLMN-KDOFPFPSSA-N 2 1 300.450 2.818 20 0 DFADMP COc1cccc2c1ccnc2NCC[N@H+](C)CCC[NH+](C)C ZINC000664246236 431715292 /nfs/dbraw/zinc/71/52/92/431715292.db2.gz VZNIODARDDMDAU-UHFFFAOYSA-N 2 1 316.449 2.539 20 0 DFADMP COc1cccc2c1ccnc2NCC[N@@H+](C)CCC[NH+](C)C ZINC000664246236 431715294 /nfs/dbraw/zinc/71/52/94/431715294.db2.gz VZNIODARDDMDAU-UHFFFAOYSA-N 2 1 316.449 2.539 20 0 DFADMP Fc1ccccc1[C@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884148 431718722 /nfs/dbraw/zinc/71/87/22/431718722.db2.gz UOOCOTMWQZNJOY-GOSISDBHSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1ccccc1[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884148 431718732 /nfs/dbraw/zinc/71/87/32/431718732.db2.gz UOOCOTMWQZNJOY-GOSISDBHSA-N 2 1 306.425 2.979 20 0 DFADMP OCC[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCc2ccccc21 ZINC000647884943 431719121 /nfs/dbraw/zinc/71/91/21/431719121.db2.gz OJBSJXJQBJFVDM-LJQANCHMSA-N 2 1 302.462 2.748 20 0 DFADMP Cc1c(Br)cncc1CN[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657390458 431720148 /nfs/dbraw/zinc/72/01/48/431720148.db2.gz YAISZLPMNXXDBG-GXFFZTMASA-N 2 1 324.266 2.867 20 0 DFADMP C[C@]1(NCc2cnn3c2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000657502402 431789319 /nfs/dbraw/zinc/78/93/19/431789319.db2.gz KUDUUWSWHSNJGI-IBGZPJMESA-N 2 1 310.445 2.584 20 0 DFADMP C[C@]1(NCc2cnn3c2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000657502402 431789324 /nfs/dbraw/zinc/78/93/24/431789324.db2.gz KUDUUWSWHSNJGI-IBGZPJMESA-N 2 1 310.445 2.584 20 0 DFADMP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000657552163 431805609 /nfs/dbraw/zinc/80/56/09/431805609.db2.gz BMNOSUUKKGJFDP-QRQLOZEOSA-N 2 1 320.477 2.681 20 0 DFADMP COC[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000657552163 431805611 /nfs/dbraw/zinc/80/56/11/431805611.db2.gz BMNOSUUKKGJFDP-QRQLOZEOSA-N 2 1 320.477 2.681 20 0 DFADMP C[C@@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648071959 431808527 /nfs/dbraw/zinc/80/85/27/431808527.db2.gz DDGYWUMHSWNWDT-AWEZNQCLSA-N 2 1 324.415 2.865 20 0 DFADMP C[C@@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648071959 431808533 /nfs/dbraw/zinc/80/85/33/431808533.db2.gz DDGYWUMHSWNWDT-AWEZNQCLSA-N 2 1 324.415 2.865 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071840 431809243 /nfs/dbraw/zinc/80/92/43/431809243.db2.gz WYTFAYABUDTOEX-HOCLYGCPSA-N 2 1 304.434 2.700 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071840 431809248 /nfs/dbraw/zinc/80/92/48/431809248.db2.gz WYTFAYABUDTOEX-HOCLYGCPSA-N 2 1 304.434 2.700 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000657470886 431771139 /nfs/dbraw/zinc/77/11/39/431771139.db2.gz WHGFIHJPFCAPLM-SOLBZPMBSA-N 2 1 322.497 2.598 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000657470886 431771140 /nfs/dbraw/zinc/77/11/40/431771140.db2.gz WHGFIHJPFCAPLM-SOLBZPMBSA-N 2 1 322.497 2.598 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657594952 431820806 /nfs/dbraw/zinc/82/08/06/431820806.db2.gz LPDHGGUQCMJXEM-QGZVFWFLSA-N 2 1 316.470 2.913 20 0 DFADMP FC1(F)C[C@H]1OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657619154 431827154 /nfs/dbraw/zinc/82/71/54/431827154.db2.gz SOJIJWJHAQKRNC-MRXNPFEDSA-N 2 1 310.388 2.665 20 0 DFADMP C[C@@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657629090 431828233 /nfs/dbraw/zinc/82/82/33/431828233.db2.gz ZTOHCZUSFCHDIV-MJBXVCDLSA-N 2 1 310.388 2.949 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278982205 282044199 /nfs/dbraw/zinc/04/41/99/282044199.db2.gz PBEKLUNZRRRKHU-CHWSQXEVSA-N 2 1 302.447 2.878 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1F ZINC000153620906 289052872 /nfs/dbraw/zinc/05/28/72/289052872.db2.gz MQNSYXKSQSIJTA-OAHLLOKOSA-N 2 1 323.456 2.513 20 0 DFADMP Cc1cc(NC(=O)N[C@](C)(C[NH3+])CC(C)C)cn2cc[nH+]c12 ZINC000415756641 289131026 /nfs/dbraw/zinc/13/10/26/289131026.db2.gz MAMKGWBQPGLXPD-INIZCTEOSA-N 2 1 303.410 2.528 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCSC(C)(C)C ZINC000370172469 289322583 /nfs/dbraw/zinc/32/25/83/289322583.db2.gz KXJBGRZZISFUGP-RBSFLKMASA-N 2 1 300.512 2.702 20 0 DFADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357015200 289344429 /nfs/dbraw/zinc/34/44/29/289344429.db2.gz OVFURNXWNKZGNE-HZPDHXFCSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000368260272 290045482 /nfs/dbraw/zinc/04/54/82/290045482.db2.gz IXIRMPQOPYOJQR-DFQSSKMNSA-N 2 1 313.489 2.502 20 0 DFADMP C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358464560 290058841 /nfs/dbraw/zinc/05/88/41/290058841.db2.gz DYIMYPPGYCVZMH-OLMMMNRUSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H](N[C@H]1C[NH+](C2CC2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358464560 290058846 /nfs/dbraw/zinc/05/88/46/290058846.db2.gz DYIMYPPGYCVZMH-OLMMMNRUSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H](N[C@H]1C[NH+](C2CC2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358464560 290058848 /nfs/dbraw/zinc/05/88/48/290058848.db2.gz DYIMYPPGYCVZMH-OLMMMNRUSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358464560 290058851 /nfs/dbraw/zinc/05/88/51/290058851.db2.gz DYIMYPPGYCVZMH-OLMMMNRUSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358464560 290058854 /nfs/dbraw/zinc/05/88/54/290058854.db2.gz DYIMYPPGYCVZMH-OLMMMNRUSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000274520059 290085060 /nfs/dbraw/zinc/08/50/60/290085060.db2.gz NTZLKYGPKLTLAN-SNRMKQJTSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]cc2Br)C1 ZINC000281226560 290182087 /nfs/dbraw/zinc/18/20/87/290182087.db2.gz OUTOJJMCUMTDOV-DGCLKSJQSA-N 2 1 310.239 2.765 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2c2cc[nH+]cc2Br)C1 ZINC000281226560 290182091 /nfs/dbraw/zinc/18/20/91/290182091.db2.gz OUTOJJMCUMTDOV-DGCLKSJQSA-N 2 1 310.239 2.765 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000248217543 293245004 /nfs/dbraw/zinc/24/50/04/293245004.db2.gz ZYFHLIZFJYRLBW-WFASDCNBSA-N 2 1 311.495 2.647 20 0 DFADMP O=C(NC[C@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+]1C1CC1 ZINC000437862583 297072353 /nfs/dbraw/zinc/07/23/53/297072353.db2.gz YBQIOQLTOYAEEQ-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000437862583 297072355 /nfs/dbraw/zinc/07/23/55/297072355.db2.gz YBQIOQLTOYAEEQ-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000437862583 297072357 /nfs/dbraw/zinc/07/23/57/297072357.db2.gz YBQIOQLTOYAEEQ-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP [NH3+]C1CCC([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000437802772 297070233 /nfs/dbraw/zinc/07/02/33/297070233.db2.gz RTMSZBDBYBEMKG-UHFFFAOYSA-N 3 1 319.468 2.692 20 0 DFADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)cc1 ZINC000261928093 294739914 /nfs/dbraw/zinc/73/99/14/294739914.db2.gz LHPMGGOCGAQKKU-RCCFBDPRSA-N 2 1 318.436 2.604 20 0 DFADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154357005 295298062 /nfs/dbraw/zinc/29/80/62/295298062.db2.gz VWMZISHDFFAICG-DLBZAZTESA-N 2 1 312.885 2.809 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2c(C)noc2C)[C@H](C)C1 ZINC000155974886 295329032 /nfs/dbraw/zinc/32/90/32/295329032.db2.gz GABTYLNPFGUMNL-RDTXWAMCSA-N 2 1 323.481 2.561 20 0 DFADMP CCCC[NH+](CCCC)Cc1cnc(N2CC[NH+](C)CC2)nc1 ZINC000158063298 295357877 /nfs/dbraw/zinc/35/78/77/295357877.db2.gz MWZGPJUBOBMBSV-UHFFFAOYSA-N 2 1 319.497 2.631 20 0 DFADMP CCC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000159012250 295370677 /nfs/dbraw/zinc/37/06/77/295370677.db2.gz RCTAJKDSCSQZPD-GOSISDBHSA-N 2 1 318.509 2.786 20 0 DFADMP Cc1nnc([C@@H]2CC23CC[NH+](CCCn2cc[nH+]c2C)CC3)o1 ZINC000363459644 295428229 /nfs/dbraw/zinc/42/82/29/295428229.db2.gz PLVZATMNCMILQD-HNNXBMFYSA-N 2 1 315.421 2.543 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000438558073 297098497 /nfs/dbraw/zinc/09/84/97/297098497.db2.gz ZYALEAJCTZIWJX-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N(CC[NH+](C)C)Cc1cccs1 ZINC000439027178 297112415 /nfs/dbraw/zinc/11/24/15/297112415.db2.gz NMNXWOJTQZCGBG-GASCZTMLSA-N 2 1 323.506 2.511 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000439078232 297113931 /nfs/dbraw/zinc/11/39/31/297113931.db2.gz NHAUWCKPIZWEQW-ZDUSSCGKSA-N 2 1 321.465 2.892 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439088199 297114334 /nfs/dbraw/zinc/11/43/34/297114334.db2.gz QGXJBTQGRDGGDN-DZGCQCFKSA-N 2 1 319.449 2.646 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439088199 297114335 /nfs/dbraw/zinc/11/43/35/297114335.db2.gz QGXJBTQGRDGGDN-DZGCQCFKSA-N 2 1 319.449 2.646 20 0 DFADMP C[NH+](C)C1(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC000440156946 297146094 /nfs/dbraw/zinc/14/60/94/297146094.db2.gz PPOSOCXUVOVIER-QGZVFWFLSA-N 2 1 321.509 2.774 20 0 DFADMP OC[C@@]1([NH2+]CCC[NH+]2CCCCC2)CCCc2ccccc21 ZINC000440818289 297166471 /nfs/dbraw/zinc/16/64/71/297166471.db2.gz JECCZFFXZPNFOM-IBGZPJMESA-N 2 1 302.462 2.676 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCOc1ccccc1 ZINC000441172507 297174184 /nfs/dbraw/zinc/17/41/84/297174184.db2.gz HEEOMGBHYUSBQM-NZSAHSFTSA-N 2 1 318.461 2.639 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000441245803 297177065 /nfs/dbraw/zinc/17/70/65/297177065.db2.gz NJSDVYRQIFPUMW-ZSXDVEMLSA-N 2 1 324.509 2.765 20 0 DFADMP Cc1cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)ccc1Cl ZINC000441351106 297180688 /nfs/dbraw/zinc/18/06/88/297180688.db2.gz IUMDYENJPFOAKY-UHFFFAOYSA-N 2 1 309.885 2.764 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442753951 297204422 /nfs/dbraw/zinc/20/44/22/297204422.db2.gz AIULSIQDSOZKHT-CVYDXHPNSA-N 2 1 317.477 2.702 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442753951 297204424 /nfs/dbraw/zinc/20/44/24/297204424.db2.gz AIULSIQDSOZKHT-CVYDXHPNSA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773856 297205277 /nfs/dbraw/zinc/20/52/77/297205277.db2.gz DHEFSXWZFWDGNR-RYUDHWBXSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788780 297206283 /nfs/dbraw/zinc/20/62/83/297206283.db2.gz IZMODPCAWJAIDH-NWDGAFQWSA-N 2 1 320.824 2.602 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)[C@H](C)C1 ZINC000442886662 297209664 /nfs/dbraw/zinc/20/96/64/297209664.db2.gz TUKDYYSQFAFZTJ-ZYHUDNBSSA-N 2 1 304.360 2.591 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443057049 297213996 /nfs/dbraw/zinc/21/39/96/297213996.db2.gz FDXRERKLRGHBGF-HOTGVXAUSA-N 2 1 303.450 2.691 20 0 DFADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058075 297214048 /nfs/dbraw/zinc/21/40/48/297214048.db2.gz JAEDOUACMNGOEK-KBPBESRZSA-N 2 1 321.490 2.796 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000443064233 297214246 /nfs/dbraw/zinc/21/42/46/297214246.db2.gz XSAZAFPYCFUKOC-ZDUSSCGKSA-N 2 1 309.841 2.729 20 0 DFADMP CO[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H](C)C1 ZINC000443075771 297215401 /nfs/dbraw/zinc/21/54/01/297215401.db2.gz VXIZFMUXAKSWQF-DYVFJYSZSA-N 2 1 300.406 2.575 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443086849 297215579 /nfs/dbraw/zinc/21/55/79/297215579.db2.gz HRGILBRZYVPQPI-RDTXWAMCSA-N 2 1 321.896 2.628 20 0 DFADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccsc1 ZINC000443101709 297215972 /nfs/dbraw/zinc/21/59/72/297215972.db2.gz MRIARSIMKVSSFR-HOCLYGCPSA-N 2 1 323.506 2.766 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000444227168 297233539 /nfs/dbraw/zinc/23/35/39/297233539.db2.gz OOIGIPGJYUOMAR-DZGCQCFKSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000444227168 297233540 /nfs/dbraw/zinc/23/35/40/297233540.db2.gz OOIGIPGJYUOMAR-DZGCQCFKSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000444227168 297233541 /nfs/dbraw/zinc/23/35/41/297233541.db2.gz OOIGIPGJYUOMAR-DZGCQCFKSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000444227168 297233542 /nfs/dbraw/zinc/23/35/42/297233542.db2.gz OOIGIPGJYUOMAR-DZGCQCFKSA-N 2 1 321.440 2.877 20 0 DFADMP c1ccc(OC2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000444569534 297240272 /nfs/dbraw/zinc/24/02/72/297240272.db2.gz FMXGHKRHRRCVQJ-UHFFFAOYSA-N 2 1 303.450 2.801 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444617688 297241808 /nfs/dbraw/zinc/24/18/08/297241808.db2.gz RMDSIDMZUZXRAP-UHFFFAOYSA-N 2 1 323.506 2.662 20 0 DFADMP CC(C)c1cc(N2CCC3(CCC[N@@H+]3C)CC2)nc(N(C)C)[nH+]1 ZINC000445594536 297263510 /nfs/dbraw/zinc/26/35/10/297263510.db2.gz VWSFZAWEZAMGPA-UHFFFAOYSA-N 2 1 317.481 2.731 20 0 DFADMP CC(C)c1cc(N2CCC3(CCC[N@H+]3C)CC2)nc(N(C)C)[nH+]1 ZINC000445594536 297263512 /nfs/dbraw/zinc/26/35/12/297263512.db2.gz VWSFZAWEZAMGPA-UHFFFAOYSA-N 2 1 317.481 2.731 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@H+]1C ZINC000154004574 297283860 /nfs/dbraw/zinc/28/38/60/297283860.db2.gz JLVJKFPHXHJOFG-IKGGRYGDSA-N 2 1 305.466 2.879 20 0 DFADMP CCCNc1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)cc1 ZINC000447597245 297309917 /nfs/dbraw/zinc/30/99/17/297309917.db2.gz RWIYJGOPRVTZGI-UHFFFAOYSA-N 2 1 305.466 2.709 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448078622 297331893 /nfs/dbraw/zinc/33/18/93/297331893.db2.gz VAFQURRTGIOZBT-HKUYNNGSSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448078622 297331895 /nfs/dbraw/zinc/33/18/95/297331895.db2.gz VAFQURRTGIOZBT-HKUYNNGSSA-N 2 1 314.473 2.792 20 0 DFADMP COc1cc(C)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000449047382 297396916 /nfs/dbraw/zinc/39/69/16/297396916.db2.gz NIWZFKRVZWDHMY-ZHALLVOQSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000449047382 297396918 /nfs/dbraw/zinc/39/69/18/297396918.db2.gz NIWZFKRVZWDHMY-ZHALLVOQSA-N 2 1 318.461 2.687 20 0 DFADMP Cc1cccc(CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000449048569 297397428 /nfs/dbraw/zinc/39/74/28/297397428.db2.gz PWAKVBHXAMCJOC-CEXWTWQISA-N 2 1 302.462 2.721 20 0 DFADMP CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449065675 297399432 /nfs/dbraw/zinc/39/94/32/297399432.db2.gz VNQPBENIZRCNJW-UHFFFAOYSA-N 2 1 304.434 2.812 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449147646 297413334 /nfs/dbraw/zinc/41/33/34/297413334.db2.gz HPFMKQJLOWYFSK-KGLIPLIRSA-N 2 1 314.433 2.746 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H]2CSc3ccccc32)CC1 ZINC000449363922 297454512 /nfs/dbraw/zinc/45/45/12/297454512.db2.gz MYHJPDCVTGQMMS-AWEZNQCLSA-N 2 1 306.475 2.576 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453053759 298057721 /nfs/dbraw/zinc/05/77/21/298057721.db2.gz GRAQDHYUEMCKSR-ZCNNSNEGSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453053759 298057722 /nfs/dbraw/zinc/05/77/22/298057722.db2.gz GRAQDHYUEMCKSR-ZCNNSNEGSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453053759 298057724 /nfs/dbraw/zinc/05/77/24/298057724.db2.gz GRAQDHYUEMCKSR-ZCNNSNEGSA-N 3 1 315.505 2.971 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](C)n4ccnc43)CC2)[nH+]1 ZINC000453110625 298062622 /nfs/dbraw/zinc/06/26/22/298062622.db2.gz CQJNVJZTCLYXHK-GDBMZVCRSA-N 2 1 311.433 2.851 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C23CCC3)[C@H](C)C1 ZINC000453134547 298066310 /nfs/dbraw/zinc/06/63/10/298066310.db2.gz XHPITZRXNJCOQN-XDNAFOTISA-N 2 1 324.509 2.671 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453179638 298069339 /nfs/dbraw/zinc/06/93/39/298069339.db2.gz UYYOJGIXIOTDQQ-XWSJACJDSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000453303427 298081511 /nfs/dbraw/zinc/08/15/11/298081511.db2.gz BYIBVZSWFLLLOZ-NEPJUHHUSA-N 2 1 300.805 2.930 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000453303427 298081514 /nfs/dbraw/zinc/08/15/14/298081514.db2.gz BYIBVZSWFLLLOZ-NEPJUHHUSA-N 2 1 300.805 2.930 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cnc2ccc(Cl)cn12)C1CC1 ZINC000453601807 298103523 /nfs/dbraw/zinc/10/35/23/298103523.db2.gz VYLPXASVZPNOLV-UHFFFAOYSA-N 2 1 306.841 2.952 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000453626414 298106635 /nfs/dbraw/zinc/10/66/35/298106635.db2.gz GHNNQRUDDRJQEW-AITUJVMLSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000453626414 298106637 /nfs/dbraw/zinc/10/66/37/298106637.db2.gz GHNNQRUDDRJQEW-AITUJVMLSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453634913 298107484 /nfs/dbraw/zinc/10/74/84/298107484.db2.gz SZXHEBRXCKNBGO-AITUJVMLSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245204081 298157517 /nfs/dbraw/zinc/15/75/17/298157517.db2.gz YODAJMXZMTXYQS-HPFXQQBRSA-N 2 1 317.477 2.667 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455625377 298390972 /nfs/dbraw/zinc/39/09/72/298390972.db2.gz NLZRVVGJLQMVRD-AWEZNQCLSA-N 2 1 317.437 2.885 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455625377 298390974 /nfs/dbraw/zinc/39/09/74/298390974.db2.gz NLZRVVGJLQMVRD-AWEZNQCLSA-N 2 1 317.437 2.885 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496072622 300015469 /nfs/dbraw/zinc/01/54/69/300015469.db2.gz SBBGKGNCBXVACF-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000496165178 300024163 /nfs/dbraw/zinc/02/41/63/300024163.db2.gz GXXZJMCJWSNJOE-GJZGRUSLSA-N 2 1 317.433 2.636 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000497123290 300165079 /nfs/dbraw/zinc/16/50/79/300165079.db2.gz CDTUOAUDTAGLIH-UHFFFAOYSA-N 2 1 324.469 2.770 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCN(C)C(=O)OC(C)(C)C ZINC000497123290 300165080 /nfs/dbraw/zinc/16/50/80/300165080.db2.gz CDTUOAUDTAGLIH-UHFFFAOYSA-N 2 1 324.469 2.770 20 0 DFADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@@H+]1CCn1cc[nH+]c1C ZINC000499055047 300200561 /nfs/dbraw/zinc/20/05/61/300200561.db2.gz MIMCTDNHMLVINE-SJORKVTESA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)C[N@H+]1CCn1cc[nH+]c1C ZINC000499055047 300200563 /nfs/dbraw/zinc/20/05/63/300200563.db2.gz MIMCTDNHMLVINE-SJORKVTESA-N 2 1 319.449 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000507489787 300236322 /nfs/dbraw/zinc/23/63/22/300236322.db2.gz YFQSDNRHMQFEPK-DFQSSKMNSA-N 2 1 316.489 2.956 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000513506383 300257785 /nfs/dbraw/zinc/25/77/85/300257785.db2.gz PWRVYAWLKZOXPY-JYBIWHBTSA-N 2 1 315.505 2.827 20 0 DFADMP COCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000514092360 300259407 /nfs/dbraw/zinc/25/94/07/300259407.db2.gz FAVHWXNCUDXGAS-CEXWTWQISA-N 2 1 302.462 2.913 20 0 DFADMP c1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000514666962 300264920 /nfs/dbraw/zinc/26/49/20/300264920.db2.gz DRZPSEKLZNBRIW-IXDOHACOSA-N 2 1 300.402 2.680 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)O[C@@H]3C)CC2)oc1C ZINC000515036400 300285615 /nfs/dbraw/zinc/28/56/15/300285615.db2.gz NNPXSFGABPBLAW-SRCQZFHVSA-N 2 1 321.465 2.659 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515654469 300316988 /nfs/dbraw/zinc/31/69/88/300316988.db2.gz SUGSTEDGBWPAJG-DLBZAZTESA-N 2 1 309.498 2.522 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCCC12CC2 ZINC000516088141 300329213 /nfs/dbraw/zinc/32/92/13/300329213.db2.gz AWMVJLOZWRXLAS-SFHVURJKSA-N 2 1 300.446 2.941 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c1C ZINC000516423628 300342278 /nfs/dbraw/zinc/34/22/78/300342278.db2.gz BBKUIQHZAWQKLN-HOCLYGCPSA-N 2 1 303.450 2.752 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCCC[C@H]3O)C2)CC1 ZINC000517032827 300379539 /nfs/dbraw/zinc/37/95/39/300379539.db2.gz CGDGNJGKWMFUMP-GBESFXJTSA-N 2 1 308.510 2.981 20 0 DFADMP FC(F)Oc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccn1 ZINC000517226759 300388609 /nfs/dbraw/zinc/38/86/09/300388609.db2.gz WYTBWTNRYLBPDV-UHFFFAOYSA-N 2 1 311.376 2.647 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000521626703 300532923 /nfs/dbraw/zinc/53/29/23/300532923.db2.gz WLUOJSPJIWNXFE-MNOVXSKESA-N 2 1 319.430 2.754 20 0 DFADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000530218302 301030452 /nfs/dbraw/zinc/03/04/52/301030452.db2.gz LMJQBNVUJMATBQ-MGPQQGTHSA-N 2 1 304.425 2.805 20 0 DFADMP C[C@@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)c1c[nH+]ccc1N ZINC000530218534 301030587 /nfs/dbraw/zinc/03/05/87/301030587.db2.gz WPZLGKKILQKJPQ-SNVBAGLBSA-N 2 1 321.327 2.709 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000530220087 301030985 /nfs/dbraw/zinc/03/09/85/301030985.db2.gz IMJGQZQFPZWNIP-JENIJYKNSA-N 2 1 320.452 2.705 20 0 DFADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1nc2ccc(Cl)cc2n1C ZINC000530460451 301049820 /nfs/dbraw/zinc/04/98/20/301049820.db2.gz VWEMBXQOWDGVJF-LLVKDONJSA-N 2 1 317.824 2.854 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701622 301104447 /nfs/dbraw/zinc/10/44/47/301104447.db2.gz AMEZCBIBKPHRQJ-LSDHHAIUSA-N 2 1 315.461 2.954 20 0 DFADMP C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728471 301106840 /nfs/dbraw/zinc/10/68/40/301106840.db2.gz XPIDXWPYACBTJL-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728471 301106842 /nfs/dbraw/zinc/10/68/42/301106842.db2.gz XPIDXWPYACBTJL-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728254 301106903 /nfs/dbraw/zinc/10/69/03/301106903.db2.gz KMOOMZDTRPFIOR-WSTZPKSXSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728254 301106904 /nfs/dbraw/zinc/10/69/04/301106904.db2.gz KMOOMZDTRPFIOR-WSTZPKSXSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728254 301106907 /nfs/dbraw/zinc/10/69/07/301106907.db2.gz KMOOMZDTRPFIOR-WSTZPKSXSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980302 301123430 /nfs/dbraw/zinc/12/34/30/301123430.db2.gz WQOYPAGGSDPOQP-IOASZLSFSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980302 301123432 /nfs/dbraw/zinc/12/34/32/301123432.db2.gz WQOYPAGGSDPOQP-IOASZLSFSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235222 301138633 /nfs/dbraw/zinc/13/86/33/301138633.db2.gz RXNWSMQFCIIGRJ-HEHGZKQESA-N 2 1 301.434 2.705 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235222 301138635 /nfs/dbraw/zinc/13/86/35/301138635.db2.gz RXNWSMQFCIIGRJ-HEHGZKQESA-N 2 1 301.434 2.705 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532476579 301154625 /nfs/dbraw/zinc/15/46/25/301154625.db2.gz SGCIOLVIZXPIPM-ZDUSSCGKSA-N 2 1 312.417 2.817 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000532531806 301158653 /nfs/dbraw/zinc/15/86/53/301158653.db2.gz NJUYOSHPXWXCJO-LMMKCTJWSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000532531806 301158655 /nfs/dbraw/zinc/15/86/55/301158655.db2.gz NJUYOSHPXWXCJO-LMMKCTJWSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000532531806 301158656 /nfs/dbraw/zinc/15/86/56/301158656.db2.gz NJUYOSHPXWXCJO-LMMKCTJWSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000532531806 301158658 /nfs/dbraw/zinc/15/86/58/301158658.db2.gz NJUYOSHPXWXCJO-LMMKCTJWSA-N 2 1 301.478 2.753 20 0 DFADMP C[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1 ZINC000533581889 301209150 /nfs/dbraw/zinc/20/91/50/301209150.db2.gz FLGKDYYXPLBLQO-QGZVFWFLSA-N 2 1 323.431 2.569 20 0 DFADMP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@H](c3nccn3C)C2)n1 ZINC000533865892 301214737 /nfs/dbraw/zinc/21/47/37/301214737.db2.gz GBPIVNDPXUCDND-OLZOCXBDSA-N 2 1 303.410 2.696 20 0 DFADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000533864774 301215002 /nfs/dbraw/zinc/21/50/02/301215002.db2.gz BJOUPROVMXZCER-QWHCGFSZSA-N 2 1 323.400 2.619 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)nnn3C)CC1 ZINC000534346969 301230466 /nfs/dbraw/zinc/23/04/66/301230466.db2.gz HQFHCGRZSKOMGU-UHFFFAOYSA-N 2 1 315.465 2.521 20 0 DFADMP Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000534579232 301234443 /nfs/dbraw/zinc/23/44/43/301234443.db2.gz HCYMIPBNVXNGAA-CABCVRRESA-N 2 1 312.417 2.545 20 0 DFADMP Cc1ccccc1NC(=O)[C@@H](C)N1CC[C@H](c2nccn2C)C1 ZINC000534579232 301234446 /nfs/dbraw/zinc/23/44/46/301234446.db2.gz HCYMIPBNVXNGAA-CABCVRRESA-N 2 1 312.417 2.545 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@H](C)O ZINC000535050691 301245380 /nfs/dbraw/zinc/24/53/80/301245380.db2.gz CNCIBDFOQQKQCE-INIZCTEOSA-N 2 1 301.434 2.855 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@H](C)O ZINC000535050691 301245381 /nfs/dbraw/zinc/24/53/81/301245381.db2.gz CNCIBDFOQQKQCE-INIZCTEOSA-N 2 1 301.434 2.855 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000539069715 301337469 /nfs/dbraw/zinc/33/74/69/301337469.db2.gz UDONPZKBVHYSKV-XGNXJENSSA-N 2 1 319.371 2.653 20 0 DFADMP C[N@H+]1CC[C@H]2CCN(Cc3cnc(-c4ccccc4)nc3)[C@@H]2C1 ZINC000540918967 301374933 /nfs/dbraw/zinc/37/49/33/301374933.db2.gz XPDNQAZPORXVRB-FUHWJXTLSA-N 2 1 308.429 2.670 20 0 DFADMP C[N@H+]1CCC[C@@H](CNCc2cnc(-c3ccncc3)s2)C1 ZINC000562871899 302009598 /nfs/dbraw/zinc/00/95/98/302009598.db2.gz UADHOOHTFOMJJP-ZDUSSCGKSA-N 2 1 302.447 2.637 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(-c3ccncc3)s2)C1 ZINC000562871899 302009602 /nfs/dbraw/zinc/00/96/02/302009602.db2.gz UADHOOHTFOMJJP-ZDUSSCGKSA-N 2 1 302.447 2.637 20 0 DFADMP CCOCc1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000563136183 302040164 /nfs/dbraw/zinc/04/01/64/302040164.db2.gz GBOLLMWUCYVQFY-LJQANCHMSA-N 2 1 318.461 2.807 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1OC ZINC000563136183 302040166 /nfs/dbraw/zinc/04/01/66/302040166.db2.gz GBOLLMWUCYVQFY-LJQANCHMSA-N 2 1 318.461 2.807 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000563349770 302064781 /nfs/dbraw/zinc/06/47/81/302064781.db2.gz IOVXBXZORINWCB-UHFFFAOYSA-N 2 1 321.852 2.891 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000563349770 302064785 /nfs/dbraw/zinc/06/47/85/302064785.db2.gz IOVXBXZORINWCB-UHFFFAOYSA-N 2 1 321.852 2.891 20 0 DFADMP COCC[N@H+](CCCc1c[nH+]cn1C)CCc1ccccc1 ZINC000563357658 302066072 /nfs/dbraw/zinc/06/60/72/302066072.db2.gz UUSMNVOZYSFLRM-UHFFFAOYSA-N 2 1 301.434 2.544 20 0 DFADMP COCC[N@@H+](CCCc1c[nH+]cn1C)CCc1ccccc1 ZINC000563357658 302066073 /nfs/dbraw/zinc/06/60/73/302066073.db2.gz UUSMNVOZYSFLRM-UHFFFAOYSA-N 2 1 301.434 2.544 20 0 DFADMP C[NH+](C)C1(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)CCCCC1 ZINC000563740175 302096102 /nfs/dbraw/zinc/09/61/02/302096102.db2.gz TYSIOHUENHKNLC-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000563805761 302099459 /nfs/dbraw/zinc/09/94/59/302099459.db2.gz KKDDCQQKFQBKAJ-FQEVSTJZSA-N 2 1 324.468 2.863 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000563805761 302099463 /nfs/dbraw/zinc/09/94/63/302099463.db2.gz KKDDCQQKFQBKAJ-FQEVSTJZSA-N 2 1 324.468 2.863 20 0 DFADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000564847026 302163498 /nfs/dbraw/zinc/16/34/98/302163498.db2.gz GZYAARXCTIBNKP-MAUKXSAKSA-N 2 1 304.478 2.788 20 0 DFADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564847026 302163500 /nfs/dbraw/zinc/16/35/00/302163500.db2.gz GZYAARXCTIBNKP-MAUKXSAKSA-N 2 1 304.478 2.788 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)c2C1 ZINC000565034714 302186930 /nfs/dbraw/zinc/18/69/30/302186930.db2.gz PETVACZPKOPHAS-GASCZTMLSA-N 2 1 301.434 2.724 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000565887588 302246867 /nfs/dbraw/zinc/24/68/67/302246867.db2.gz WQCZLTBAUMROQB-LMMKCTJWSA-N 2 1 304.478 2.719 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc(C)c(C)n1 ZINC000566054547 302255593 /nfs/dbraw/zinc/25/55/93/302255593.db2.gz JZHOZVPOAQYIBV-UHFFFAOYSA-N 2 1 307.401 2.877 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCC[NH3+])C1 ZINC000566065971 302256547 /nfs/dbraw/zinc/25/65/47/302256547.db2.gz UQEFLUJVQNMQRE-INIZCTEOSA-N 2 1 317.477 2.664 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089169 302258353 /nfs/dbraw/zinc/25/83/53/302258353.db2.gz APELTVJLGHGUEH-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000566089169 302258356 /nfs/dbraw/zinc/25/83/56/302258356.db2.gz APELTVJLGHGUEH-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089171 302258560 /nfs/dbraw/zinc/25/85/60/302258560.db2.gz APELTVJLGHGUEH-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089171 302258563 /nfs/dbraw/zinc/25/85/63/302258563.db2.gz APELTVJLGHGUEH-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000566200879 302267413 /nfs/dbraw/zinc/26/74/13/302267413.db2.gz IMOFJFXGLDBUGZ-PBHICJAKSA-N 2 1 303.450 2.585 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351700 302281428 /nfs/dbraw/zinc/28/14/28/302281428.db2.gz YAMAHHAKOHMJNS-KXBFYZLASA-N 2 1 301.478 2.637 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351700 302281430 /nfs/dbraw/zinc/28/14/30/302281430.db2.gz YAMAHHAKOHMJNS-KXBFYZLASA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351700 302281432 /nfs/dbraw/zinc/28/14/32/302281432.db2.gz YAMAHHAKOHMJNS-KXBFYZLASA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351700 302281434 /nfs/dbraw/zinc/28/14/34/302281434.db2.gz YAMAHHAKOHMJNS-KXBFYZLASA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351700 302281436 /nfs/dbraw/zinc/28/14/36/302281436.db2.gz YAMAHHAKOHMJNS-KXBFYZLASA-N 3 1 301.478 2.637 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)CC2)n1 ZINC000567298971 302348125 /nfs/dbraw/zinc/34/81/25/302348125.db2.gz ZKWHLFOXZWWTDE-YWWDTZIBSA-N 2 1 318.465 2.867 20 0 DFADMP c1cc2c(cc1C[N@H+]1CC[C@H](c3nc(C4CC4)no3)C1)C[NH2+]CC2 ZINC000567595413 302371786 /nfs/dbraw/zinc/37/17/86/302371786.db2.gz GRXPZAAGKIZDOD-INIZCTEOSA-N 2 1 324.428 2.582 20 0 DFADMP CCn1c2ccccc2nc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000567638047 302375480 /nfs/dbraw/zinc/37/54/80/302375480.db2.gz BCIRNSPYCZMRLI-KFWWJZLASA-N 2 1 300.450 2.861 20 0 DFADMP CCn1c2ccccc2nc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000567638047 302375482 /nfs/dbraw/zinc/37/54/82/302375482.db2.gz BCIRNSPYCZMRLI-KFWWJZLASA-N 2 1 300.450 2.861 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000567655155 302376678 /nfs/dbraw/zinc/37/66/78/302376678.db2.gz GHEJPADESXUAIU-KBPBESRZSA-N 2 1 312.408 2.866 20 0 DFADMP CC(C)[NH2+]CCCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567723919 302384352 /nfs/dbraw/zinc/38/43/52/302384352.db2.gz BHFYQLBGNXNHNO-PKOBYXMFSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567723919 302384353 /nfs/dbraw/zinc/38/43/53/302384353.db2.gz BHFYQLBGNXNHNO-PKOBYXMFSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567723919 302384356 /nfs/dbraw/zinc/38/43/56/302384356.db2.gz BHFYQLBGNXNHNO-PKOBYXMFSA-N 3 1 303.494 2.875 20 0 DFADMP CC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000567851627 302393206 /nfs/dbraw/zinc/39/32/06/302393206.db2.gz STYALLPNASNPMM-SFHVURJKSA-N 2 1 301.478 2.725 20 0 DFADMP CC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851627 302393208 /nfs/dbraw/zinc/39/32/08/302393208.db2.gz STYALLPNASNPMM-SFHVURJKSA-N 2 1 301.478 2.725 20 0 DFADMP CC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851627 302393211 /nfs/dbraw/zinc/39/32/11/302393211.db2.gz STYALLPNASNPMM-SFHVURJKSA-N 2 1 301.478 2.725 20 0 DFADMP C[C@@H]1CC=C(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000570407185 302572590 /nfs/dbraw/zinc/57/25/90/302572590.db2.gz MRSPWFYARNMIPU-CQSZACIVSA-N 2 1 314.433 2.518 20 0 DFADMP COc1ccc([C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000572354906 302656887 /nfs/dbraw/zinc/65/68/87/302656887.db2.gz OWMNDGCPBSCSIL-YCEFEEMOSA-N 2 1 318.461 2.629 20 0 DFADMP C[C@H](CCc1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180940661 316047422 /nfs/dbraw/zinc/04/74/22/316047422.db2.gz MVSMOLIJGGLBJX-GOSISDBHSA-N 2 1 317.521 2.966 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(CC)CC ZINC000181751210 316071189 /nfs/dbraw/zinc/07/11/89/316071189.db2.gz YQTIPFBHJFGPSK-HZPDHXFCSA-N 2 1 312.498 2.671 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000182010002 316082888 /nfs/dbraw/zinc/08/28/88/316082888.db2.gz MVMDVAVMINMFPU-OAHLLOKOSA-N 2 1 324.432 2.903 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)CCc1ccccc1 ZINC000182415334 316100967 /nfs/dbraw/zinc/10/09/67/316100967.db2.gz MXAVQSKWJKYEJR-RTBURBONSA-N 2 1 304.478 2.786 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)CCc1ccccc1 ZINC000182415334 316100972 /nfs/dbraw/zinc/10/09/72/316100972.db2.gz MXAVQSKWJKYEJR-RTBURBONSA-N 2 1 304.478 2.786 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)CCc1ccccc1 ZINC000182415334 316100976 /nfs/dbraw/zinc/10/09/76/316100976.db2.gz MXAVQSKWJKYEJR-RTBURBONSA-N 2 1 304.478 2.786 20 0 DFADMP CCOC(=O)C1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000182461565 316103784 /nfs/dbraw/zinc/10/37/84/316103784.db2.gz KQTQPKBKIRWIDV-JEYLPNPQSA-N 2 1 307.438 2.539 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H](c2nccn2C)C2CC2)C1 ZINC000183248396 316135570 /nfs/dbraw/zinc/13/55/70/316135570.db2.gz SNLWFDNAXCSGLF-NVXWUHKLSA-N 2 1 304.482 2.973 20 0 DFADMP C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683452 316190659 /nfs/dbraw/zinc/19/06/59/316190659.db2.gz UOIVNHOOFXJKDW-HZPDHXFCSA-N 2 1 323.525 2.781 20 0 DFADMP C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683452 316190660 /nfs/dbraw/zinc/19/06/60/316190660.db2.gz UOIVNHOOFXJKDW-HZPDHXFCSA-N 2 1 323.525 2.781 20 0 DFADMP CCC(C)(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718360 316191293 /nfs/dbraw/zinc/19/12/93/316191293.db2.gz ASULZVWMZQGXIN-GJZGRUSLSA-N 2 1 309.498 2.534 20 0 DFADMP CCC(C)(C)NC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718360 316191299 /nfs/dbraw/zinc/19/12/99/316191299.db2.gz ASULZVWMZQGXIN-GJZGRUSLSA-N 2 1 309.498 2.534 20 0 DFADMP CCC[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000185862271 316193490 /nfs/dbraw/zinc/19/34/90/316193490.db2.gz JWCSNRZCOQALHM-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000187351425 316208651 /nfs/dbraw/zinc/20/86/51/316208651.db2.gz WREQTUHKMZALIN-ZBFHGGJFSA-N 2 1 308.441 2.944 20 0 DFADMP Fc1ccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000324125044 316260948 /nfs/dbraw/zinc/26/09/48/316260948.db2.gz HJPRRZXSKNQAPU-GASCZTMLSA-N 2 1 315.392 2.912 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000337596153 316302018 /nfs/dbraw/zinc/30/20/18/316302018.db2.gz OXYJZZPNUKFSAW-KKUMJFAQSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000337596153 316302023 /nfs/dbraw/zinc/30/20/23/316302023.db2.gz OXYJZZPNUKFSAW-KKUMJFAQSA-N 2 1 304.434 2.981 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000341902243 316310862 /nfs/dbraw/zinc/31/08/62/316310862.db2.gz SLACMWFQAIPPME-RLFYNMQTSA-N 2 1 306.450 2.530 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000414796532 316661081 /nfs/dbraw/zinc/66/10/81/316661081.db2.gz BYVVMOCMMCVJML-UHFFFAOYSA-N 2 1 302.422 2.692 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000414806418 316663216 /nfs/dbraw/zinc/66/32/16/316663216.db2.gz QGKJDSLHQHUHPK-OCCSQVGLSA-N 2 1 302.447 2.812 20 0 DFADMP CC[C@H](O)[C@H](CC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449639012 317046181 /nfs/dbraw/zinc/04/61/81/317046181.db2.gz NLJXPSAQUVTIMM-OALUTQOASA-N 2 1 322.468 2.972 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450432376 317092609 /nfs/dbraw/zinc/09/26/09/317092609.db2.gz ABXLSCUWAZCRCW-GGPKGHCWSA-N 2 1 316.489 2.959 20 0 DFADMP C[N@@H+](CCN1CC[C@@H]2[C@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000450499548 317099543 /nfs/dbraw/zinc/09/95/43/317099543.db2.gz IYQPYLPEAQIUTK-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000450499548 317099548 /nfs/dbraw/zinc/09/95/48/317099548.db2.gz IYQPYLPEAQIUTK-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000450499548 317099551 /nfs/dbraw/zinc/09/95/51/317099551.db2.gz IYQPYLPEAQIUTK-RTBURBONSA-N 2 1 301.478 2.535 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)[C@H](C)C1 ZINC000453368078 317180506 /nfs/dbraw/zinc/18/05/06/317180506.db2.gz MSUAPAAZHSBBHM-SQNIBIBYSA-N 2 1 312.498 2.530 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC2CCC(F)(F)CC2)CC1 ZINC000459335411 317320076 /nfs/dbraw/zinc/32/00/76/317320076.db2.gz NZRFPICSGYZESO-CQSZACIVSA-N 2 1 318.452 2.837 20 0 DFADMP CCn1ncnc1CN1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000488094741 317366904 /nfs/dbraw/zinc/36/69/04/317366904.db2.gz AGCVFGLSUABNHQ-UHFFFAOYSA-N 2 1 319.497 2.632 20 0 DFADMP CCn1ncnc1C[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000488094741 317366908 /nfs/dbraw/zinc/36/69/08/317366908.db2.gz AGCVFGLSUABNHQ-UHFFFAOYSA-N 2 1 319.497 2.632 20 0 DFADMP CCn1ncnc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000488094741 317366911 /nfs/dbraw/zinc/36/69/11/317366911.db2.gz AGCVFGLSUABNHQ-UHFFFAOYSA-N 2 1 319.497 2.632 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488430225 317392334 /nfs/dbraw/zinc/39/23/34/317392334.db2.gz JXEVPBLZTNBIIV-SJORKVTESA-N 2 1 313.555 2.524 20 0 DFADMP C(c1nc(C2CCCC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000557337947 317872028 /nfs/dbraw/zinc/87/20/28/317872028.db2.gz HCNKWEUUQYPIBM-HNNXBMFYSA-N 2 1 304.438 2.691 20 0 DFADMP O=C(Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1)C1CCC1 ZINC000574510693 318022548 /nfs/dbraw/zinc/02/25/48/318022548.db2.gz SDLFGMDQGLWGNB-JWTNVVGKSA-N 2 1 313.445 2.798 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000574868941 318045940 /nfs/dbraw/zinc/04/59/40/318045940.db2.gz FNJUUIMHLQAJML-LPHOPBHVSA-N 2 1 322.468 2.973 20 0 DFADMP C[NH2+]C[C@@](C)(O)C[NH2+][C@@H](c1ccc(Cl)cc1F)C(C)C ZINC000574994588 318055844 /nfs/dbraw/zinc/05/58/44/318055844.db2.gz AUFXKZMORIXLAT-HUUCEWRRSA-N 2 1 302.821 2.736 20 0 DFADMP C[C@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000575121839 318064674 /nfs/dbraw/zinc/06/46/74/318064674.db2.gz JFEHKLCIMHTQPQ-YOEHRIQHSA-N 2 1 303.450 2.587 20 0 DFADMP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]C[C@H]([NH3+])C1CC1 ZINC000576219289 318111449 /nfs/dbraw/zinc/11/14/49/318111449.db2.gz NDGMTLCHEVMRBO-HZMBPMFUSA-N 2 1 302.447 2.901 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000576457225 318127649 /nfs/dbraw/zinc/12/76/49/318127649.db2.gz AVUYPYQOXMLQAO-WSTZPKSXSA-N 2 1 318.505 2.938 20 0 DFADMP CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)[C@H]1CCCC[NH2+]1 ZINC000577214440 318178771 /nfs/dbraw/zinc/17/87/71/318178771.db2.gz TUMIKXVOJXMORZ-HZPDHXFCSA-N 2 1 306.450 2.757 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000577952914 318228540 /nfs/dbraw/zinc/22/85/40/318228540.db2.gz HZKAYAREEFBBGO-QGZVFWFLSA-N 2 1 300.406 2.575 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cc(OC)c(OC)cc2F)C1 ZINC000577957142 318228895 /nfs/dbraw/zinc/22/88/95/318228895.db2.gz FMVPYVNDPRSDJP-ZDUSSCGKSA-N 2 1 310.413 2.617 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578284999 318249823 /nfs/dbraw/zinc/24/98/23/318249823.db2.gz QRSKNXREHWONKA-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578284999 318249824 /nfs/dbraw/zinc/24/98/24/318249824.db2.gz QRSKNXREHWONKA-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578284999 318249826 /nfs/dbraw/zinc/24/98/26/318249826.db2.gz QRSKNXREHWONKA-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578284999 318249827 /nfs/dbraw/zinc/24/98/27/318249827.db2.gz QRSKNXREHWONKA-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578284999 318249829 /nfs/dbraw/zinc/24/98/29/318249829.db2.gz QRSKNXREHWONKA-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578284999 318249830 /nfs/dbraw/zinc/24/98/30/318249830.db2.gz QRSKNXREHWONKA-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578284999 318249832 /nfs/dbraw/zinc/24/98/32/318249832.db2.gz QRSKNXREHWONKA-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000578498013 318264826 /nfs/dbraw/zinc/26/48/26/318264826.db2.gz YHECCLSMMOWBNA-CHWSQXEVSA-N 2 1 319.840 2.713 20 0 DFADMP CC(C)[C@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(C2CC2)no1 ZINC000578545373 318269112 /nfs/dbraw/zinc/26/91/12/318269112.db2.gz PCOFNOGKERNOQY-AWEZNQCLSA-N 2 1 303.410 2.600 20 0 DFADMP Cc1cc(NC(=O)NC[C@H]2CC[C@H](C[NH3+])CC2)cn2cc[nH+]c12 ZINC000578968491 318298175 /nfs/dbraw/zinc/29/81/75/318298175.db2.gz VJILORRSSLYXTO-HDJSIYSDSA-N 2 1 315.421 2.529 20 0 DFADMP COCCN(C)C[C@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000579021903 318302137 /nfs/dbraw/zinc/30/21/37/318302137.db2.gz KJFHDRDJKGGINH-OALUTQOASA-N 2 1 320.477 2.543 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+]3CC[C@H](C)C3)c2C1 ZINC000579128042 318309504 /nfs/dbraw/zinc/30/95/04/318309504.db2.gz ICZIUYFXMPMTTM-HNNXBMFYSA-N 2 1 315.461 2.939 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000579142921 318311064 /nfs/dbraw/zinc/31/10/64/318311064.db2.gz LUIOCILEXSEKJA-CRAIPNDOSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000579142921 318311065 /nfs/dbraw/zinc/31/10/65/318311065.db2.gz LUIOCILEXSEKJA-CRAIPNDOSA-N 2 1 312.461 2.729 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CC3)C1 ZINC000579733020 318351430 /nfs/dbraw/zinc/35/14/30/318351430.db2.gz HELZCHWWDZAYBD-MSOLQXFVSA-N 2 1 300.446 2.676 20 0 DFADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000579736996 318351443 /nfs/dbraw/zinc/35/14/43/318351443.db2.gz VZLWPKUABULMCG-INIZCTEOSA-N 2 1 312.461 2.827 20 0 DFADMP COc1cc(F)c(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000579959766 318366474 /nfs/dbraw/zinc/36/64/74/318366474.db2.gz FCBHAHWPBCUIKZ-UHFFFAOYSA-N 2 1 310.413 2.617 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000580089536 318375186 /nfs/dbraw/zinc/37/51/86/318375186.db2.gz KPXLVVUCOSDSTF-MJGOQNOKSA-N 2 1 302.462 2.841 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000580089536 318375189 /nfs/dbraw/zinc/37/51/89/318375189.db2.gz KPXLVVUCOSDSTF-MJGOQNOKSA-N 2 1 302.462 2.841 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000580089536 318375190 /nfs/dbraw/zinc/37/51/90/318375190.db2.gz KPXLVVUCOSDSTF-MJGOQNOKSA-N 2 1 302.462 2.841 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)[C@H]1CCCc2ccccc21 ZINC000580089536 318375193 /nfs/dbraw/zinc/37/51/93/318375193.db2.gz KPXLVVUCOSDSTF-MJGOQNOKSA-N 2 1 302.462 2.841 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189179399 323222656 /nfs/dbraw/zinc/22/26/56/323222656.db2.gz KCBRPJOLIRYDPH-MRXNPFEDSA-N 2 1 316.424 2.502 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189179399 323222663 /nfs/dbraw/zinc/22/26/63/323222663.db2.gz KCBRPJOLIRYDPH-MRXNPFEDSA-N 2 1 316.424 2.502 20 0 DFADMP Cc1c[nH+]ccc1NC1CC[NH+](CC(=O)Nc2ccccc2)CC1 ZINC000191977943 323240198 /nfs/dbraw/zinc/24/01/98/323240198.db2.gz NYXSOPHJXGOQJW-UHFFFAOYSA-N 2 1 324.428 2.905 20 0 DFADMP COc1cccc2c1CCC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000194862776 323273749 /nfs/dbraw/zinc/27/37/49/323273749.db2.gz LMJAJUWRLLZPNX-GOSISDBHSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379645727 323291270 /nfs/dbraw/zinc/29/12/70/323291270.db2.gz DMEIMIRLNQZELW-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379645727 323291275 /nfs/dbraw/zinc/29/12/75/323291275.db2.gz DMEIMIRLNQZELW-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP CCOC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000381784848 323295518 /nfs/dbraw/zinc/29/55/18/323295518.db2.gz HDJWJYCCVOSJKY-GDAAHCPNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H](NCCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382605854 323301282 /nfs/dbraw/zinc/30/12/82/323301282.db2.gz WUETYESUQZQOEB-FUHWJXTLSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382605854 323301285 /nfs/dbraw/zinc/30/12/85/323301285.db2.gz WUETYESUQZQOEB-FUHWJXTLSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382605854 323301287 /nfs/dbraw/zinc/30/12/87/323301287.db2.gz WUETYESUQZQOEB-FUHWJXTLSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000382728064 323301581 /nfs/dbraw/zinc/30/15/81/323301581.db2.gz WQYOTDMUHUXGLI-QWFCFKBJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000382717853 323301704 /nfs/dbraw/zinc/30/17/04/323301704.db2.gz IIPVDUJTYQHGAC-QWFCFKBJSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)C[C@H]([NH3+])CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382754114 323302161 /nfs/dbraw/zinc/30/21/61/323302161.db2.gz KELFNVFCDGWFHK-OALUTQOASA-N 2 1 303.494 2.814 20 0 DFADMP CC(C)C[C@H]([NH3+])CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382754113 323302763 /nfs/dbraw/zinc/30/27/63/323302763.db2.gz KELFNVFCDGWFHK-MOPGFXCFSA-N 2 1 303.494 2.814 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000387312443 323323762 /nfs/dbraw/zinc/32/37/62/323323762.db2.gz OJZMSXBRENSXGO-IIDMSEBBSA-N 2 1 305.466 2.768 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000387490244 323324538 /nfs/dbraw/zinc/32/45/38/323324538.db2.gz YVXRLWAGODAPJG-INIZCTEOSA-N 2 1 311.514 2.589 20 0 DFADMP CC(C)CCCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000583852312 323923645 /nfs/dbraw/zinc/92/36/45/323923645.db2.gz FVHHGILAWDVHTA-UHFFFAOYSA-N 2 1 304.438 2.598 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000583933291 323937464 /nfs/dbraw/zinc/93/74/64/323937464.db2.gz LUXIZIQNLWIKAS-GFCCVEGCSA-N 2 1 310.467 2.585 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cc(C)[nH]c2C)CC1 ZINC000350901331 500681963 /nfs/dbraw/zinc/68/19/63/500681963.db2.gz ZTNIDRZTCUZYEF-UHFFFAOYSA-N 2 1 305.466 2.868 20 0 DFADMP O[C@@H](c1ccccc1)C1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000297607448 534406541 /nfs/dbraw/zinc/40/65/41/534406541.db2.gz KKIUUOPATSTMNP-SFHVURJKSA-N 2 1 300.446 2.717 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000157239335 519567754 /nfs/dbraw/zinc/56/77/54/519567754.db2.gz LNQACKBDVPCYHL-MSOLQXFVSA-N 2 1 323.525 2.971 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000157239335 519567768 /nfs/dbraw/zinc/56/77/68/519567768.db2.gz LNQACKBDVPCYHL-MSOLQXFVSA-N 2 1 323.525 2.971 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCSC3)sc2C1 ZINC000364842261 519690907 /nfs/dbraw/zinc/69/09/07/519690907.db2.gz DMYAQPQGQMREFD-LBPRGKRZSA-N 2 1 311.520 2.752 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCSC3)sc2C1 ZINC000364842261 519690908 /nfs/dbraw/zinc/69/09/08/519690908.db2.gz DMYAQPQGQMREFD-LBPRGKRZSA-N 2 1 311.520 2.752 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]CC2)c1 ZINC000364238383 520259592 /nfs/dbraw/zinc/25/95/92/520259592.db2.gz QRILHMNHFMBOEE-INIZCTEOSA-N 2 1 317.477 2.534 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000367617430 520372038 /nfs/dbraw/zinc/37/20/38/520372038.db2.gz NECVRNCQLGEGHM-ZACQAIPSSA-N 2 1 303.450 2.833 20 0 DFADMP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000163526969 520409456 /nfs/dbraw/zinc/40/94/56/520409456.db2.gz FKTFPIDBVFFUKW-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000163526969 520409463 /nfs/dbraw/zinc/40/94/63/520409463.db2.gz FKTFPIDBVFFUKW-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000163526969 520409471 /nfs/dbraw/zinc/40/94/71/520409471.db2.gz FKTFPIDBVFFUKW-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000163526969 520409480 /nfs/dbraw/zinc/40/94/80/520409480.db2.gz FKTFPIDBVFFUKW-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000365190050 520606814 /nfs/dbraw/zinc/60/68/14/520606814.db2.gz NBXSSMQEOUBSKW-MRXNPFEDSA-N 2 1 307.486 2.770 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000365190050 520606820 /nfs/dbraw/zinc/60/68/20/520606820.db2.gz NBXSSMQEOUBSKW-MRXNPFEDSA-N 2 1 307.486 2.770 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364983614 520715669 /nfs/dbraw/zinc/71/56/69/520715669.db2.gz RRRLOWGTTIBLFE-QZTJIDSGSA-N 2 1 317.477 2.627 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000154549172 521060587 /nfs/dbraw/zinc/06/05/87/521060587.db2.gz KTPAUOODHBDRTG-GVDBMIGSSA-N 2 1 309.498 2.617 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000154593901 521070587 /nfs/dbraw/zinc/07/05/87/521070587.db2.gz KRFUZHZGUSBIKM-SUMWQHHRSA-N 2 1 314.433 2.875 20 0 DFADMP CCOC(C[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1)OCC ZINC000364108725 521631364 /nfs/dbraw/zinc/63/13/64/521631364.db2.gz KOUQSAHJWBZGLZ-UHFFFAOYSA-N 2 1 307.438 2.665 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]2C[N@@H+](C)CC[C@H]21 ZINC000366328257 521643828 /nfs/dbraw/zinc/64/38/28/521643828.db2.gz ULTHHEQIRMGRAS-QZTJIDSGSA-N 2 1 323.525 2.831 20 0 DFADMP CCc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c2ccccc2[nH+]1 ZINC000364981677 523792790 /nfs/dbraw/zinc/79/27/90/523792790.db2.gz KZBSTKPBDVPZLM-HNNXBMFYSA-N 2 1 313.445 2.690 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154854905 523817608 /nfs/dbraw/zinc/81/76/08/523817608.db2.gz YAKUMNAECZHKDV-CYBMUJFWSA-N 2 1 308.491 2.998 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000367614792 523987579 /nfs/dbraw/zinc/98/75/79/523987579.db2.gz IULYMKJUEXNOCS-XYJFISCASA-N 2 1 312.461 2.889 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(CCC[NH+]2CCCC2)CC1 ZINC000365063358 525140004 /nfs/dbraw/zinc/14/00/04/525140004.db2.gz APPKGZYDFOPCBE-UHFFFAOYSA-N 2 1 315.505 2.989 20 0 DFADMP CC(C)Cn1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261868251 534900546 /nfs/dbraw/zinc/90/05/46/534900546.db2.gz SANOGFPCEYVPBK-MOPGFXCFSA-N 2 1 312.461 2.713 20 0 DFADMP c1cc(CC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000266502426 526420972 /nfs/dbraw/zinc/42/09/72/526420972.db2.gz AQECWXDKBLHSNR-QGZVFWFLSA-N 2 1 300.446 2.582 20 0 DFADMP Brc1c[nH+]ccc1N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293094056 526652268 /nfs/dbraw/zinc/65/22/68/526652268.db2.gz OXGOGZOSKHPUPX-GFCCVEGCSA-N 2 1 310.239 2.766 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309695803 527966277 /nfs/dbraw/zinc/96/62/77/527966277.db2.gz DJRABZYLXKOMDW-QXAKKESOSA-N 2 1 304.478 2.894 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)[nH]c1C ZINC000294973888 528171301 /nfs/dbraw/zinc/17/13/01/528171301.db2.gz GMKKMCBDNIJMOC-OAHLLOKOSA-N 2 1 321.465 2.710 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[nH]c1C ZINC000294973888 528171302 /nfs/dbraw/zinc/17/13/02/528171302.db2.gz GMKKMCBDNIJMOC-OAHLLOKOSA-N 2 1 321.465 2.710 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000295027972 528184158 /nfs/dbraw/zinc/18/41/58/528184158.db2.gz MSXHYZPCKFXPGT-LJQANCHMSA-N 2 1 303.494 2.782 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccnc(OC)n1 ZINC000294871283 528199401 /nfs/dbraw/zinc/19/94/01/528199401.db2.gz WPGGFYQSWNIHES-UHFFFAOYSA-N 2 1 314.433 2.617 20 0 DFADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000299624837 528989548 /nfs/dbraw/zinc/98/95/48/528989548.db2.gz RAXOZXQACGCSSH-GOSISDBHSA-N 2 1 317.477 2.621 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000361033289 534947399 /nfs/dbraw/zinc/94/73/99/534947399.db2.gz JGTQGFPNZASQIL-XJKSGUPXSA-N 2 1 319.424 2.921 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000262042324 535152439 /nfs/dbraw/zinc/15/24/39/535152439.db2.gz YRHVFBWGCOVSJX-KSZLIROESA-N 2 1 302.462 2.711 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000261959160 535153007 /nfs/dbraw/zinc/15/30/07/535153007.db2.gz PIFHBTDVLNUSEE-KSZLIROESA-N 2 1 320.452 2.850 20 0 DFADMP CC(C[NH+](C)C[C@@H]1CCCCO1)C[N@@H+](C)C[C@@H]1CCCCO1 ZINC000357747861 535176186 /nfs/dbraw/zinc/17/61/86/535176186.db2.gz XICBVMCARVQHDH-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2CCOC2)[C@@H](C)C1 ZINC000361491931 535525760 /nfs/dbraw/zinc/52/57/60/535525760.db2.gz BPOCPCLNRJUHNP-MLHJIOFPSA-N 2 1 312.498 2.528 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361495208 535589343 /nfs/dbraw/zinc/58/93/43/535589343.db2.gz CQJMQSMBDGESGJ-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361495208 535589348 /nfs/dbraw/zinc/58/93/48/535589348.db2.gz CQJMQSMBDGESGJ-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361495208 535589354 /nfs/dbraw/zinc/58/93/54/535589354.db2.gz CQJMQSMBDGESGJ-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC)[C@@H](C)CN[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355308845 535650583 /nfs/dbraw/zinc/65/05/83/535650583.db2.gz GBONLYKUXNRZBJ-HKUYNNGSSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+](CC)[C@@H](C)CN[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355308845 535650587 /nfs/dbraw/zinc/65/05/87/535650587.db2.gz GBONLYKUXNRZBJ-HKUYNNGSSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc([C@H]4C[C@@H]4C)o3)C2)CC1 ZINC000245701357 535738509 /nfs/dbraw/zinc/73/85/09/535738509.db2.gz DBUIAVPDDYKEAB-JZXOWHBKSA-N 2 1 317.477 2.615 20 0 DFADMP CC[C@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245539617 536129948 /nfs/dbraw/zinc/12/99/48/536129948.db2.gz OFVNVQRBECNRAG-MAUKXSAKSA-N 2 1 317.477 2.520 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262065368 536572897 /nfs/dbraw/zinc/57/28/97/536572897.db2.gz FLHYNFFXVFSACV-IMJJTQAJSA-N 2 1 304.434 2.571 20 0 DFADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@]3(O)CC[N@H+](C)C3)ccc2c1 ZINC000358254569 537039468 /nfs/dbraw/zinc/03/94/68/537039468.db2.gz QALHMXBUTXWPDE-AUUYWEPGSA-N 2 1 314.429 2.566 20 0 DFADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@]3(O)CC[N@@H+](C)C3)ccc2c1 ZINC000358254569 537039473 /nfs/dbraw/zinc/03/94/73/537039473.db2.gz QALHMXBUTXWPDE-AUUYWEPGSA-N 2 1 314.429 2.566 20 0 DFADMP Cc1ccc2[nH+]ccc(N3CCN([C@H]4CCC[N@H+](C)C4)CC3)c2c1 ZINC000680623610 545520735 /nfs/dbraw/zinc/52/07/35/545520735.db2.gz ZAYHDGGXNWEJOV-KRWDZBQOSA-N 2 1 324.472 2.759 20 0 DFADMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCO)CC2)C[C@@H]1c1ccccc1 ZINC000680970012 545572561 /nfs/dbraw/zinc/57/25/61/545572561.db2.gz QOJMFEORXUUCBA-QZTJIDSGSA-N 2 1 302.462 2.615 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914890 545750526 /nfs/dbraw/zinc/75/05/26/545750526.db2.gz SWSUOWIEEXKBAL-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1nc2ccccn2c1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914890 545750529 /nfs/dbraw/zinc/75/05/29/545750529.db2.gz SWSUOWIEEXKBAL-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682069846 545787483 /nfs/dbraw/zinc/78/74/83/545787483.db2.gz AHIITMYDLYJWAS-RDJZCZTQSA-N 2 1 320.481 2.587 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000682140855 545804423 /nfs/dbraw/zinc/80/44/23/545804423.db2.gz XELPSLXYCXOQMR-OALUTQOASA-N 2 1 302.462 2.543 20 0 DFADMP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000682154445 545805788 /nfs/dbraw/zinc/80/57/88/545805788.db2.gz CNAWWQXJFZNMSC-QFBILLFUSA-N 2 1 319.468 2.641 20 0 DFADMP Fc1cccc(-c2ccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)o2)c1F ZINC000682997618 545956986 /nfs/dbraw/zinc/95/69/86/545956986.db2.gz AIURQGXCEHYYHK-VXGBXAGGSA-N 2 1 304.340 2.876 20 0 DFADMP C[C@@H]1CCSCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683001217 545957532 /nfs/dbraw/zinc/95/75/32/545957532.db2.gz PZLKXIWTZQSNBX-OAHLLOKOSA-N 2 1 308.491 2.954 20 0 DFADMP CC[NH+](CC)CCCN1CC[C@@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000683140892 545978567 /nfs/dbraw/zinc/97/85/67/545978567.db2.gz HRJHJAKPWNMWEH-LJQANCHMSA-N 2 1 303.494 2.925 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2nccc3ccccc32)CCCO1 ZINC000683344090 546015650 /nfs/dbraw/zinc/01/56/50/546015650.db2.gz LTWLDYUGSGXFCR-MRXNPFEDSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2nccc3ccccc32)CCCO1 ZINC000683344090 546015655 /nfs/dbraw/zinc/01/56/55/546015655.db2.gz LTWLDYUGSGXFCR-MRXNPFEDSA-N 2 1 313.445 2.825 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000683357834 546018701 /nfs/dbraw/zinc/01/87/01/546018701.db2.gz ABTCMXSMSDOIHP-GOSISDBHSA-N 3 1 319.493 2.543 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000683357834 546018704 /nfs/dbraw/zinc/01/87/04/546018704.db2.gz ABTCMXSMSDOIHP-GOSISDBHSA-N 3 1 319.493 2.543 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000683471021 546039380 /nfs/dbraw/zinc/03/93/80/546039380.db2.gz LLZIDNXLXLZGDW-AWEZNQCLSA-N 2 1 315.417 2.561 20 0 DFADMP C[NH+](C)CC1(C(=O)N2CCC[C@H]2[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000683848385 546107977 /nfs/dbraw/zinc/10/79/77/546107977.db2.gz OWLVIJZNBBLWQB-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000684145431 546158378 /nfs/dbraw/zinc/15/83/78/546158378.db2.gz AJLZPBQLFFKBHZ-SFHVURJKSA-N 2 1 320.477 2.874 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000684368799 546202125 /nfs/dbraw/zinc/20/21/25/546202125.db2.gz UNECMINJTYXZRF-MOPGFXCFSA-N 2 1 302.462 2.982 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000684368799 546202129 /nfs/dbraw/zinc/20/21/29/546202129.db2.gz UNECMINJTYXZRF-MOPGFXCFSA-N 2 1 302.462 2.982 20 0 DFADMP CCc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000684572601 546245903 /nfs/dbraw/zinc/24/59/03/546245903.db2.gz JYXRFJJXKORULR-UHFFFAOYSA-N 2 1 302.447 2.813 20 0 DFADMP CCc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000684572601 546245907 /nfs/dbraw/zinc/24/59/07/546245907.db2.gz JYXRFJJXKORULR-UHFFFAOYSA-N 2 1 302.447 2.813 20 0 DFADMP COc1cc2c(N[C@@H](C)[C@@H]3C[N@H+](C)CCO3)cc[nH+]c2cc1F ZINC000684578634 546247033 /nfs/dbraw/zinc/24/70/33/546247033.db2.gz VDNJUIFPQVVSOV-GTNSWQLSSA-N 2 1 319.380 2.514 20 0 DFADMP COc1cc2c(N[C@@H](C)[C@@H]3C[N@@H+](C)CCO3)cc[nH+]c2cc1F ZINC000684578634 546247034 /nfs/dbraw/zinc/24/70/34/546247034.db2.gz VDNJUIFPQVVSOV-GTNSWQLSSA-N 2 1 319.380 2.514 20 0 DFADMP CCC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000684768065 546276755 /nfs/dbraw/zinc/27/67/55/546276755.db2.gz FISWOCDPNYIFRY-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](C[C@@H](C)C(C)(C)C)CC1 ZINC000685444561 546351801 /nfs/dbraw/zinc/35/18/01/546351801.db2.gz IIMFIROWQUUDTP-MRXNPFEDSA-N 2 1 314.514 2.728 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454795 546352043 /nfs/dbraw/zinc/35/20/43/546352043.db2.gz RMALOMYOTVWISF-PKOBYXMFSA-N 2 1 307.526 2.937 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454792 546352355 /nfs/dbraw/zinc/35/23/55/546352355.db2.gz RMALOMYOTVWISF-HKUYNNGSSA-N 2 1 307.526 2.937 20 0 DFADMP CN(CC[N@@H+](C)CC(C)(C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000685454658 546352717 /nfs/dbraw/zinc/35/27/17/546352717.db2.gz OJAPQKIVFODWCN-UHFFFAOYSA-N 2 1 317.521 2.922 20 0 DFADMP CCc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000685458037 546353313 /nfs/dbraw/zinc/35/33/13/546353313.db2.gz YROKZGRTRBSHRF-INIZCTEOSA-N 2 1 321.534 2.911 20 0 DFADMP C[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)(C)C ZINC000685460412 546353772 /nfs/dbraw/zinc/35/37/72/546353772.db2.gz IRJJFNQBUKNLRR-HRBLRVMOSA-N 2 1 307.526 2.911 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn2cccc(F)c2n1 ZINC000685462167 546354309 /nfs/dbraw/zinc/35/43/09/546354309.db2.gz LTIFQLSDVYNIHP-UHFFFAOYSA-N 2 1 301.369 2.500 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn2cccc(F)c2n1 ZINC000685462167 546354313 /nfs/dbraw/zinc/35/43/13/546354313.db2.gz LTIFQLSDVYNIHP-UHFFFAOYSA-N 2 1 301.369 2.500 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597235 546373110 /nfs/dbraw/zinc/37/31/10/546373110.db2.gz NECQTZHWSLYGKS-IBGZPJMESA-N 2 1 316.489 2.991 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597235 546373114 /nfs/dbraw/zinc/37/31/14/546373114.db2.gz NECQTZHWSLYGKS-IBGZPJMESA-N 2 1 316.489 2.991 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597237 546373234 /nfs/dbraw/zinc/37/32/34/546373234.db2.gz NECQTZHWSLYGKS-LJQANCHMSA-N 2 1 316.489 2.991 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC(C)(C2CC2)CC1 ZINC000685597237 546373240 /nfs/dbraw/zinc/37/32/40/546373240.db2.gz NECQTZHWSLYGKS-LJQANCHMSA-N 2 1 316.489 2.991 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278356499 214112226 /nfs/dbraw/zinc/11/22/26/214112226.db2.gz QYHLMLUDYQATRS-AWEZNQCLSA-N 2 1 307.413 2.548 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278356499 214112229 /nfs/dbraw/zinc/11/22/29/214112229.db2.gz QYHLMLUDYQATRS-AWEZNQCLSA-N 2 1 307.413 2.548 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000278600723 214268459 /nfs/dbraw/zinc/26/84/59/214268459.db2.gz IUSVCOBIMPRFTP-DLBZAZTESA-N 2 1 305.491 2.588 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000278600723 214268462 /nfs/dbraw/zinc/26/84/62/214268462.db2.gz IUSVCOBIMPRFTP-DLBZAZTESA-N 2 1 305.491 2.588 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000278600723 214268464 /nfs/dbraw/zinc/26/84/64/214268464.db2.gz IUSVCOBIMPRFTP-DLBZAZTESA-N 2 1 305.491 2.588 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000278600723 214268465 /nfs/dbraw/zinc/26/84/65/214268465.db2.gz IUSVCOBIMPRFTP-DLBZAZTESA-N 2 1 305.491 2.588 20 0 DFADMP Nc1ncccc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310291803 231113771 /nfs/dbraw/zinc/11/37/71/231113771.db2.gz RSLDKNLLYNQGLK-HKUYNNGSSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310291803 231113774 /nfs/dbraw/zinc/11/37/74/231113774.db2.gz RSLDKNLLYNQGLK-HKUYNNGSSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310291803 231113778 /nfs/dbraw/zinc/11/37/78/231113778.db2.gz RSLDKNLLYNQGLK-HKUYNNGSSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310291803 231113781 /nfs/dbraw/zinc/11/37/81/231113781.db2.gz RSLDKNLLYNQGLK-HKUYNNGSSA-N 2 1 322.456 2.618 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906856 398349507 /nfs/dbraw/zinc/34/95/07/398349507.db2.gz UAIGDBMBNWCKJO-RHSMWYFYSA-N 2 1 318.465 2.666 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906856 398349510 /nfs/dbraw/zinc/34/95/10/398349510.db2.gz UAIGDBMBNWCKJO-RHSMWYFYSA-N 2 1 318.465 2.666 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906856 398349513 /nfs/dbraw/zinc/34/95/13/398349513.db2.gz UAIGDBMBNWCKJO-RHSMWYFYSA-N 2 1 318.465 2.666 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906855 398349525 /nfs/dbraw/zinc/34/95/25/398349525.db2.gz UAIGDBMBNWCKJO-PBHICJAKSA-N 2 1 318.465 2.666 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906855 398349528 /nfs/dbraw/zinc/34/95/28/398349528.db2.gz UAIGDBMBNWCKJO-PBHICJAKSA-N 2 1 318.465 2.666 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906855 398349529 /nfs/dbraw/zinc/34/95/29/398349529.db2.gz UAIGDBMBNWCKJO-PBHICJAKSA-N 2 1 318.465 2.666 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]21 ZINC000230046264 398355675 /nfs/dbraw/zinc/35/56/75/398355675.db2.gz SCWRJXHIKDBGHR-SGMGOOAPSA-N 2 1 308.809 2.628 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@@H]21 ZINC000230046264 398355676 /nfs/dbraw/zinc/35/56/76/398355676.db2.gz SCWRJXHIKDBGHR-SGMGOOAPSA-N 2 1 308.809 2.628 20 0 DFADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000081718439 398368186 /nfs/dbraw/zinc/36/81/86/398368186.db2.gz UFSHBEBHLRXDRO-QZTJIDSGSA-N 2 1 321.509 2.633 20 0 DFADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081718433 398368237 /nfs/dbraw/zinc/36/82/37/398368237.db2.gz UFSHBEBHLRXDRO-MSOLQXFVSA-N 2 1 321.509 2.633 20 0 DFADMP CC[C@H](C)C[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000088506489 185254437 /nfs/dbraw/zinc/25/44/37/185254437.db2.gz FOVYETURPSZJMF-SFHVURJKSA-N 2 1 303.494 2.782 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000459355386 299086682 /nfs/dbraw/zinc/08/66/82/299086682.db2.gz BXDBCAQTQBOPRR-INIZCTEOSA-N 2 1 304.482 2.929 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@@H](C)[NH2+][C@@H](c2ccccc2)C(C)C)CC1 ZINC000096967045 185394161 /nfs/dbraw/zinc/39/41/61/185394161.db2.gz JEILQKVOEILURW-SJLPKXTDSA-N 2 1 317.477 2.526 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3cc(F)ccc3n2C)[C@H](C)C1 ZINC000090043824 185279518 /nfs/dbraw/zinc/27/95/18/185279518.db2.gz RXXVIEMKHJKTKI-HIFRSBDPSA-N 2 1 318.440 2.575 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)O ZINC000293017450 529681687 /nfs/dbraw/zinc/68/16/87/529681687.db2.gz ONSLTMMHNRQBJO-GOSISDBHSA-N 2 1 322.468 2.972 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000090546870 185302097 /nfs/dbraw/zinc/30/20/97/185302097.db2.gz WTQIKMJCNIERQE-FMKPAKJESA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000090546870 185302098 /nfs/dbraw/zinc/30/20/98/185302098.db2.gz WTQIKMJCNIERQE-FMKPAKJESA-N 2 1 304.434 2.666 20 0 DFADMP CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000181342913 199283090 /nfs/dbraw/zinc/28/30/90/199283090.db2.gz QJEDKQOOPKVQNP-HZPDHXFCSA-N 2 1 303.450 2.975 20 0 DFADMP CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000181342913 199283092 /nfs/dbraw/zinc/28/30/92/199283092.db2.gz QJEDKQOOPKVQNP-HZPDHXFCSA-N 2 1 303.450 2.975 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000092666211 185332280 /nfs/dbraw/zinc/33/22/80/185332280.db2.gz CYDCEKYTFRPVIY-HZPDHXFCSA-N 2 1 307.507 2.739 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2sccc2C1 ZINC000459393742 299095171 /nfs/dbraw/zinc/09/51/71/299095171.db2.gz SADAHDZSEFWJGP-CQSZACIVSA-N 2 1 319.518 2.711 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000272820075 210218273 /nfs/dbraw/zinc/21/82/73/210218273.db2.gz UTSLMJGCKSAPTR-DOPJRALCSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000272820075 210218275 /nfs/dbraw/zinc/21/82/75/210218275.db2.gz UTSLMJGCKSAPTR-DOPJRALCSA-N 2 1 301.434 2.922 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCC(=O)OCc2ccccc2)C1 ZINC000181469556 199301476 /nfs/dbraw/zinc/30/14/76/199301476.db2.gz XGMSJZFQYLBBCY-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)OCc2ccccc2)C1 ZINC000181469556 199301477 /nfs/dbraw/zinc/30/14/77/199301477.db2.gz XGMSJZFQYLBBCY-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181469556 199301478 /nfs/dbraw/zinc/30/14/78/199301478.db2.gz XGMSJZFQYLBBCY-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181469556 199301479 /nfs/dbraw/zinc/30/14/79/199301479.db2.gz XGMSJZFQYLBBCY-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CC1(c2ccccc2)CC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C1 ZINC000459416056 299100837 /nfs/dbraw/zinc/10/08/37/299100837.db2.gz SEKMDXZMMLRKGZ-GPJFCIFZSA-N 2 1 316.489 2.933 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000292812820 529802086 /nfs/dbraw/zinc/80/20/86/529802086.db2.gz OYCHEQJKMOGHGD-LJQANCHMSA-N 2 1 316.445 2.859 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000292812820 529802087 /nfs/dbraw/zinc/80/20/87/529802087.db2.gz OYCHEQJKMOGHGD-LJQANCHMSA-N 2 1 316.445 2.859 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000292812820 529802088 /nfs/dbraw/zinc/80/20/88/529802088.db2.gz OYCHEQJKMOGHGD-LJQANCHMSA-N 2 1 316.445 2.859 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000292812820 529802090 /nfs/dbraw/zinc/80/20/90/529802090.db2.gz OYCHEQJKMOGHGD-LJQANCHMSA-N 2 1 316.445 2.859 20 0 DFADMP CCCCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000066960755 398410965 /nfs/dbraw/zinc/41/09/65/398410965.db2.gz QNGNRKGWLFZFDO-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)CCCC)CC1 ZINC000066960757 398411009 /nfs/dbraw/zinc/41/10/09/398411009.db2.gz QNGNRKGWLFZFDO-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000309750644 529889387 /nfs/dbraw/zinc/88/93/87/529889387.db2.gz ZFUOZGFDOBPDCR-ZWKOTPCHSA-N 2 1 317.477 2.532 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[C@H]([NH3+])C(C)C)c1ccccc1 ZINC000262608835 398432466 /nfs/dbraw/zinc/43/24/66/398432466.db2.gz UIVPSVKIPWFKQB-DLBZAZTESA-N 2 1 305.466 2.511 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000088684420 398440081 /nfs/dbraw/zinc/44/00/81/398440081.db2.gz OOLUXEFVXZEJCT-QFBILLFUSA-N 2 1 312.461 2.692 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272769153 210175169 /nfs/dbraw/zinc/17/51/69/210175169.db2.gz RYYJICPJOUHSJM-RDJZCZTQSA-N 2 1 318.461 2.828 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000272769153 210175172 /nfs/dbraw/zinc/17/51/72/210175172.db2.gz RYYJICPJOUHSJM-RDJZCZTQSA-N 2 1 318.461 2.828 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297442834 529959537 /nfs/dbraw/zinc/95/95/37/529959537.db2.gz GJOBPICZPNJXAT-GBESFXJTSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000297442834 529959538 /nfs/dbraw/zinc/95/95/38/529959538.db2.gz GJOBPICZPNJXAT-GBESFXJTSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000297442834 529959540 /nfs/dbraw/zinc/95/95/40/529959540.db2.gz GJOBPICZPNJXAT-GBESFXJTSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000297442834 529959541 /nfs/dbraw/zinc/95/95/41/529959541.db2.gz GJOBPICZPNJXAT-GBESFXJTSA-N 2 1 302.462 2.710 20 0 DFADMP COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000586763961 398455322 /nfs/dbraw/zinc/45/53/22/398455322.db2.gz JLVMUIWZUCGRTF-HZPDHXFCSA-N 2 1 319.449 2.712 20 0 DFADMP c1ccc([C@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCOC2)cc1 ZINC000459471328 299114389 /nfs/dbraw/zinc/11/43/89/299114389.db2.gz UWYFFRGFHPQZSE-LPHOPBHVSA-N 2 1 300.446 2.981 20 0 DFADMP CCc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000089903233 398469634 /nfs/dbraw/zinc/46/96/34/398469634.db2.gz SSNQVONCUKDOTG-UHFFFAOYSA-N 2 1 307.507 2.524 20 0 DFADMP C[N@H+]1CCCC12CCN([C@@H]1CC[NH+](Cc3ccccc3)C1)CC2 ZINC000459479725 299117067 /nfs/dbraw/zinc/11/70/67/299117067.db2.gz UZNHULWAVDRGSK-LJQANCHMSA-N 2 1 313.489 2.821 20 0 DFADMP C[NH+]1CCCC12CCN([C@@H]1CC[N@H+](Cc3ccccc3)C1)CC2 ZINC000459479725 299117069 /nfs/dbraw/zinc/11/70/69/299117069.db2.gz UZNHULWAVDRGSK-LJQANCHMSA-N 2 1 313.489 2.821 20 0 DFADMP C[NH+]1CCCC12CCN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)CC2 ZINC000459479725 299117074 /nfs/dbraw/zinc/11/70/74/299117074.db2.gz UZNHULWAVDRGSK-LJQANCHMSA-N 2 1 313.489 2.821 20 0 DFADMP CC(C)(C)N1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1=O ZINC000090178370 398484153 /nfs/dbraw/zinc/48/41/53/398484153.db2.gz XVGGDQFXYDWFMV-INIZCTEOSA-N 2 1 321.509 2.773 20 0 DFADMP COC(=O)c1cc([C@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)oc1C ZINC000292893457 398487170 /nfs/dbraw/zinc/48/71/70/398487170.db2.gz GBKCYVFEWMYNPI-SCLBCKFNSA-N 2 1 320.433 2.853 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708596 398492121 /nfs/dbraw/zinc/49/21/21/398492121.db2.gz RTISBOQCHCKHSX-RYRKJORJSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000090975022 398499358 /nfs/dbraw/zinc/49/93/58/398499358.db2.gz OGWAMJMLIQKHFR-LMPOIIKSSA-N 2 1 310.482 2.817 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000090975022 398499359 /nfs/dbraw/zinc/49/93/59/398499359.db2.gz OGWAMJMLIQKHFR-LMPOIIKSSA-N 2 1 310.482 2.817 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272690131 210094775 /nfs/dbraw/zinc/09/47/75/210094775.db2.gz VOWCSDBGUZZXBK-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272690131 210094780 /nfs/dbraw/zinc/09/47/80/210094780.db2.gz VOWCSDBGUZZXBK-AOIWGVFYSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272690131 210094786 /nfs/dbraw/zinc/09/47/86/210094786.db2.gz VOWCSDBGUZZXBK-AOIWGVFYSA-N 3 1 303.494 2.827 20 0 DFADMP C(NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000459542944 299130106 /nfs/dbraw/zinc/13/01/06/299130106.db2.gz OUWFFYAFIHZMNT-IBGZPJMESA-N 2 1 305.510 3.000 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272674586 210079222 /nfs/dbraw/zinc/07/92/22/210079222.db2.gz QOFXJAMPHBLNSU-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272674586 210079224 /nfs/dbraw/zinc/07/92/24/210079224.db2.gz QOFXJAMPHBLNSU-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272674586 210079226 /nfs/dbraw/zinc/07/92/26/210079226.db2.gz QOFXJAMPHBLNSU-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272674586 210079228 /nfs/dbraw/zinc/07/92/28/210079228.db2.gz QOFXJAMPHBLNSU-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272674586 210079233 /nfs/dbraw/zinc/07/92/33/210079233.db2.gz QOFXJAMPHBLNSU-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccnc1 ZINC000091333155 398526606 /nfs/dbraw/zinc/52/66/06/398526606.db2.gz UTBBAEVQTATEEK-LJQANCHMSA-N 2 1 318.509 2.642 20 0 DFADMP OC[C@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000279680727 215058110 /nfs/dbraw/zinc/05/81/10/215058110.db2.gz JAKPLIOJBXWKCT-IBGZPJMESA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000073764092 282528128 /nfs/dbraw/zinc/52/81/28/282528128.db2.gz IMNYPAWGVPJIOH-HNNXBMFYSA-N 2 1 322.497 2.879 20 0 DFADMP CCOC(=O)CCCCC[N@@H+]1CCc2ccccc2[C@H]1CN ZINC000317591213 398535513 /nfs/dbraw/zinc/53/55/13/398535513.db2.gz YNCPQVCUPFOOOQ-QGZVFWFLSA-N 2 1 304.434 2.668 20 0 DFADMP CCOC(=O)CCCCC[N@@H+]1CCc2ccccc2[C@@H]1CN ZINC000317591209 398535809 /nfs/dbraw/zinc/53/58/09/398535809.db2.gz YNCPQVCUPFOOOQ-KRWDZBQOSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1)O[C@H](C)C2 ZINC000318803092 398539955 /nfs/dbraw/zinc/53/99/55/398539955.db2.gz MWTJVJDGVHNLPP-CZUORRHYSA-N 2 1 304.434 2.593 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)O[C@H](C)C2 ZINC000318803092 398539957 /nfs/dbraw/zinc/53/99/57/398539957.db2.gz MWTJVJDGVHNLPP-CZUORRHYSA-N 2 1 304.434 2.593 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+](C)C(C)C)cc1Cl ZINC000597044414 398553858 /nfs/dbraw/zinc/55/38/58/398553858.db2.gz XFZRRANUYCYJJA-UHFFFAOYSA-N 2 1 312.841 2.947 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)C(C)C)cc1Cl ZINC000597044414 398553860 /nfs/dbraw/zinc/55/38/60/398553860.db2.gz XFZRRANUYCYJJA-UHFFFAOYSA-N 2 1 312.841 2.947 20 0 DFADMP Cc1cc(C)n(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000069222258 398557107 /nfs/dbraw/zinc/55/71/07/398557107.db2.gz SNDGIQNSDRRVTB-IBGZPJMESA-N 2 1 318.509 2.944 20 0 DFADMP Cc1cc(C)n(CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000069222258 398557113 /nfs/dbraw/zinc/55/71/13/398557113.db2.gz SNDGIQNSDRRVTB-IBGZPJMESA-N 2 1 318.509 2.944 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000040622979 398562683 /nfs/dbraw/zinc/56/26/83/398562683.db2.gz KYQTYDDNOAUNPM-AWEZNQCLSA-N 2 1 310.511 2.809 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)s1 ZINC000040622979 398562685 /nfs/dbraw/zinc/56/26/85/398562685.db2.gz KYQTYDDNOAUNPM-AWEZNQCLSA-N 2 1 310.511 2.809 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000279861547 215188421 /nfs/dbraw/zinc/18/84/21/215188421.db2.gz IXPAYSXFWOXARI-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000597133382 398572986 /nfs/dbraw/zinc/57/29/86/398572986.db2.gz SSWZJALHRJOLJA-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1F ZINC000597133382 398572974 /nfs/dbraw/zinc/57/29/74/398572974.db2.gz SSWZJALHRJOLJA-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000597133382 398572977 /nfs/dbraw/zinc/57/29/77/398572977.db2.gz SSWZJALHRJOLJA-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1F ZINC000597133382 398572982 /nfs/dbraw/zinc/57/29/82/398572982.db2.gz SSWZJALHRJOLJA-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1F ZINC000597133382 398572984 /nfs/dbraw/zinc/57/29/84/398572984.db2.gz SSWZJALHRJOLJA-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP CCc1nn(C)cc1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000092410307 398574026 /nfs/dbraw/zinc/57/40/26/398574026.db2.gz OPRBLYMSDLLUNP-UHFFFAOYSA-N 2 1 304.482 2.869 20 0 DFADMP COc1cc2c(c(C[NH2+]Cc3ccc4c[nH+]cn4c3)c1)O[C@@H](C)C2 ZINC000459655197 299156805 /nfs/dbraw/zinc/15/68/05/299156805.db2.gz DPWMQMPYLSXGDI-ZDUSSCGKSA-N 2 1 323.396 2.956 20 0 DFADMP Cn1cnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000459673448 299162163 /nfs/dbraw/zinc/16/21/63/299162163.db2.gz YYHPHFFDQSSRGT-IHWFROFDSA-N 2 1 324.472 2.748 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000593322492 398599472 /nfs/dbraw/zinc/59/94/72/398599472.db2.gz NTRJCSAVXWFIDJ-JTQLQIEISA-N 2 1 322.405 2.983 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000593322498 398599481 /nfs/dbraw/zinc/59/94/81/398599481.db2.gz NTRJCSAVXWFIDJ-SNVBAGLBSA-N 2 1 322.405 2.983 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(C(=O)OC)cc1 ZINC000590248834 398607828 /nfs/dbraw/zinc/60/78/28/398607828.db2.gz LPALWFCTJZAIKR-JKSUJKDBSA-N 2 1 313.401 2.725 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]1SC ZINC000597257791 398609315 /nfs/dbraw/zinc/60/93/15/398609315.db2.gz WIEGFJVCRHDQRD-MWDXBVQZSA-N 2 1 312.523 2.607 20 0 DFADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1cccc(F)c1 ZINC000150749904 186063046 /nfs/dbraw/zinc/06/30/46/186063046.db2.gz DUYOHLORNNFUDQ-OAHLLOKOSA-N 2 1 319.424 2.572 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000093201723 398623975 /nfs/dbraw/zinc/62/39/75/398623975.db2.gz UJAWMLXOVSOBIC-INIZCTEOSA-N 2 1 316.453 2.634 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000093201723 398623981 /nfs/dbraw/zinc/62/39/81/398623981.db2.gz UJAWMLXOVSOBIC-INIZCTEOSA-N 2 1 316.453 2.634 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000155980695 186125011 /nfs/dbraw/zinc/12/50/11/186125011.db2.gz RZJOPKMPHLVGAB-XUJVJEKNSA-N 2 1 324.852 2.930 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000155980695 186125012 /nfs/dbraw/zinc/12/50/12/186125012.db2.gz RZJOPKMPHLVGAB-XUJVJEKNSA-N 2 1 324.852 2.930 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000171475642 186165810 /nfs/dbraw/zinc/16/58/10/186165810.db2.gz HOTOXLOADBRXEC-SFHVURJKSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000191827669 186259930 /nfs/dbraw/zinc/25/99/30/186259930.db2.gz FBINXOMSGDFFQZ-LPHOPBHVSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H]([NH3+])C3)cc2)C1 ZINC000237478986 186295618 /nfs/dbraw/zinc/29/56/18/186295618.db2.gz PUVAGCDAACFJNK-DJIMGWMZSA-N 2 1 315.461 2.984 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000268753930 186379354 /nfs/dbraw/zinc/37/93/54/186379354.db2.gz WOJCLHJEWSYKHF-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1Cl ZINC000590695119 398653570 /nfs/dbraw/zinc/65/35/70/398653570.db2.gz RZSNJIGCOVAZFC-UHFFFAOYSA-N 2 1 324.852 2.900 20 0 DFADMP CC(C)n1nccc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000279834049 186501772 /nfs/dbraw/zinc/50/17/72/186501772.db2.gz HDGFQTPINUYHKC-UHFFFAOYSA-N 2 1 316.449 2.694 20 0 DFADMP COc1cc2c(c(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c1)O[C@@H](C)C2 ZINC000459731304 299174663 /nfs/dbraw/zinc/17/46/63/299174663.db2.gz LKFMWKKSRHVBLO-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc(OC)c1OC ZINC000459732772 299175561 /nfs/dbraw/zinc/17/55/61/299175561.db2.gz MWMWSOYVBUEJOS-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000459734297 299176759 /nfs/dbraw/zinc/17/67/59/299176759.db2.gz OKTLQMQYOZWAIA-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000459743864 299179801 /nfs/dbraw/zinc/17/98/01/299179801.db2.gz XCOXUYFBPAHDBV-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000277210149 213370053 /nfs/dbraw/zinc/37/00/53/213370053.db2.gz NDTYAPKKYLEKNK-MRXNPFEDSA-N 2 1 307.413 2.570 20 0 DFADMP CSc1cc2c(cc1C[NH2+]C[C@@]1(C)CCC[NH2+]C1)OCCO2 ZINC000414896203 295831580 /nfs/dbraw/zinc/83/15/80/295831580.db2.gz BBVFJZMCZLUYFJ-KRWDZBQOSA-N 2 1 322.474 2.659 20 0 DFADMP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000681089981 545594583 /nfs/dbraw/zinc/59/45/83/545594583.db2.gz JBEBIHZYTYJUKI-HKUYNNGSSA-N 2 1 312.461 2.773 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NCCC[NH3+])c1 ZINC000414900114 295832278 /nfs/dbraw/zinc/83/22/78/295832278.db2.gz HRGRGLZYLGESRV-UHFFFAOYSA-N 2 1 315.421 2.525 20 0 DFADMP C[C@]1(C[NH2+]Cc2c(F)cccc2N2CCCC2)CCC[NH2+]C1 ZINC000414912607 295834065 /nfs/dbraw/zinc/83/40/65/295834065.db2.gz VHXUCGVSJOAOAF-SFHVURJKSA-N 2 1 305.441 2.905 20 0 DFADMP FC(F)(F)COc1ccccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414915002 295834220 /nfs/dbraw/zinc/83/42/20/295834220.db2.gz LQXYHYUWZXKSDI-CYBMUJFWSA-N 2 1 302.340 2.859 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277187215 213353136 /nfs/dbraw/zinc/35/31/36/213353136.db2.gz IJAZBIQXVYAYES-GDBMZVCRSA-N 2 1 306.450 2.653 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945365 295838642 /nfs/dbraw/zinc/83/86/42/295838642.db2.gz RJGJFEXFWWODFM-KBXCAEBGSA-N 2 1 311.429 2.845 20 0 DFADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091082 545595546 /nfs/dbraw/zinc/59/55/46/545595546.db2.gz XGNMXDZVYPLJIE-MYBQVCMBSA-N 2 1 324.415 2.503 20 0 DFADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CC(C(F)F)C1 ZINC000681091082 545595550 /nfs/dbraw/zinc/59/55/50/545595550.db2.gz XGNMXDZVYPLJIE-MYBQVCMBSA-N 2 1 324.415 2.503 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414969002 295842515 /nfs/dbraw/zinc/84/25/15/295842515.db2.gz YWZQZVINOJIMDP-GXFFZTMASA-N 2 1 313.239 2.545 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414975002 295843211 /nfs/dbraw/zinc/84/32/11/295843211.db2.gz OBUZAQILKWRIRG-CQSZACIVSA-N 2 1 302.447 2.683 20 0 DFADMP CSc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]CC1(C)C)OCCO2 ZINC000414977811 295843495 /nfs/dbraw/zinc/84/34/95/295843495.db2.gz RXMMGBQKZSEQOZ-MRXNPFEDSA-N 2 1 322.474 2.657 20 0 DFADMP Cc1nc2ccc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)cc2s1 ZINC000414993980 295844860 /nfs/dbraw/zinc/84/48/60/295844860.db2.gz CVNXDQXOPHUPFM-LBPRGKRZSA-N 2 1 311.401 2.939 20 0 DFADMP c1ccc(COc2cccc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000394428516 398678249 /nfs/dbraw/zinc/67/82/49/398678249.db2.gz VYABGXUIXQQBNQ-OALUTQOASA-N 2 1 308.425 2.917 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415006703 295846740 /nfs/dbraw/zinc/84/67/40/295846740.db2.gz QQFJPYVOAHFDBX-OAHLLOKOSA-N 2 1 320.387 2.720 20 0 DFADMP COc1cccc(Cl)c1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415014038 295847316 /nfs/dbraw/zinc/84/73/16/295847316.db2.gz ZEHCWHHBYHENTE-SNVBAGLBSA-N 2 1 304.768 2.683 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000397981318 398682583 /nfs/dbraw/zinc/68/25/83/398682583.db2.gz MQEQQBYYPACACJ-OXQOHEQNSA-N 2 1 320.440 2.953 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000397981318 398682584 /nfs/dbraw/zinc/68/25/84/398682584.db2.gz MQEQQBYYPACACJ-OXQOHEQNSA-N 2 1 320.440 2.953 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)ccc1OC ZINC000173362246 198206894 /nfs/dbraw/zinc/20/68/94/198206894.db2.gz BLJJSPORPVFCQY-GDBMZVCRSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)ccc1OC ZINC000173362246 198206895 /nfs/dbraw/zinc/20/68/95/198206895.db2.gz BLJJSPORPVFCQY-GDBMZVCRSA-N 2 1 306.450 2.914 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc3ccccc32)CC1 ZINC000105476846 398693321 /nfs/dbraw/zinc/69/33/21/398693321.db2.gz XXXXRMFMFCIQBV-UHFFFAOYSA-N 2 1 311.473 2.957 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331960467 234323023 /nfs/dbraw/zinc/32/30/23/234323023.db2.gz QJGATEOZIMCQEV-CQSZACIVSA-N 2 1 318.465 2.769 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772373 198382400 /nfs/dbraw/zinc/38/24/00/198382400.db2.gz DJOXYJKVXMNMMN-QAPCUYQASA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772373 198382402 /nfs/dbraw/zinc/38/24/02/198382402.db2.gz DJOXYJKVXMNMMN-QAPCUYQASA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772373 198382403 /nfs/dbraw/zinc/38/24/03/198382403.db2.gz DJOXYJKVXMNMMN-QAPCUYQASA-N 2 1 306.450 2.736 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(F)cc3c2OCOC3)[C@H](C)C1 ZINC000174778037 198383179 /nfs/dbraw/zinc/38/31/79/198383179.db2.gz UVRSLJLDTBBXJL-CXAGYDPISA-N 2 1 322.424 2.854 20 0 DFADMP CCC(CC)(C[NH3+])NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236777741 202004459 /nfs/dbraw/zinc/00/44/59/202004459.db2.gz JEDUOKSEEKDBTK-KRWDZBQOSA-N 2 1 317.477 2.532 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000074157327 398727073 /nfs/dbraw/zinc/72/70/73/398727073.db2.gz QGULOCLKHDAVTH-MRXNPFEDSA-N 2 1 320.481 2.587 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2C1 ZINC000236817557 202023378 /nfs/dbraw/zinc/02/33/78/202023378.db2.gz KLADIZMUCZKPJF-INIZCTEOSA-N 2 1 313.445 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC34CC[NH2+]CC4)c2C1 ZINC000236817557 202023381 /nfs/dbraw/zinc/02/33/81/202023381.db2.gz KLADIZMUCZKPJF-INIZCTEOSA-N 2 1 313.445 2.740 20 0 DFADMP CCC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000261629422 283092459 /nfs/dbraw/zinc/09/24/59/283092459.db2.gz BTKCNAWLVDDMAL-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000261629422 283092463 /nfs/dbraw/zinc/09/24/63/283092463.db2.gz BTKCNAWLVDDMAL-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000463010238 299233609 /nfs/dbraw/zinc/23/36/09/299233609.db2.gz KZKUGEDHHBRZJW-CQSZACIVSA-N 2 1 305.470 2.587 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@@H]2CCC[C@H]21 ZINC000353628829 283141692 /nfs/dbraw/zinc/14/16/92/283141692.db2.gz CBGYTFFZRSELGP-DRRXZNNHSA-N 2 1 310.507 2.504 20 0 DFADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729279 299246597 /nfs/dbraw/zinc/24/65/97/299246597.db2.gz DIJMYPDNDKXXPU-WMZOPIPTSA-N 2 1 323.525 2.876 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@H]2C)cc1 ZINC000261865287 283187968 /nfs/dbraw/zinc/18/79/68/283187968.db2.gz RPTQMWFUZBWSDX-NVXWUHKLSA-N 2 1 317.477 2.728 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)cc1 ZINC000272560690 283188342 /nfs/dbraw/zinc/18/83/42/283188342.db2.gz NRAGFUQEPSASNH-JKSUJKDBSA-N 2 1 317.477 2.741 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361581700 535324808 /nfs/dbraw/zinc/32/48/08/535324808.db2.gz KBEUQWQTRNXSKH-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc3c(c2)OCO3)CC1 ZINC000236922083 202074119 /nfs/dbraw/zinc/07/41/19/202074119.db2.gz JSHXUEGIISCQRZ-CQSZACIVSA-N 2 1 304.434 2.810 20 0 DFADMP CS[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000591759497 398784692 /nfs/dbraw/zinc/78/46/92/398784692.db2.gz WIVSQLSCEGSYCD-IRXDYDNUSA-N 2 1 324.534 2.847 20 0 DFADMP CS[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000591759497 398784693 /nfs/dbraw/zinc/78/46/93/398784693.db2.gz WIVSQLSCEGSYCD-IRXDYDNUSA-N 2 1 324.534 2.847 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000121217493 398786432 /nfs/dbraw/zinc/78/64/32/398786432.db2.gz GTADJVKUVYJHGS-GOEBONIOSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)C1 ZINC000121206955 398786452 /nfs/dbraw/zinc/78/64/52/398786452.db2.gz YXGWRJBXBZTCJL-KXBFYZLASA-N 2 1 315.461 2.999 20 0 DFADMP CC[NH2+]CC1CCN(C(=O)[C@@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000237027444 202126795 /nfs/dbraw/zinc/12/67/95/202126795.db2.gz JXWVRMNRFBEUBG-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP C[N@H+]1CCN(CCC[NH2+]Cc2ccco2)[C@@H](c2ccccc2)C1 ZINC000237205987 202188553 /nfs/dbraw/zinc/18/85/53/202188553.db2.gz RBJFRSNWLHYZNV-LJQANCHMSA-N 2 1 313.445 2.748 20 0 DFADMP c1ccc(CSCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594490861 398808059 /nfs/dbraw/zinc/80/80/59/398808059.db2.gz SVUSMWGOKRTUII-SFHVURJKSA-N 2 1 320.502 2.763 20 0 DFADMP CC[NH+]1CCN(c2ccccc2N[C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000179776697 199079377 /nfs/dbraw/zinc/07/93/77/199079377.db2.gz MQAYSUHLVBBMDU-IAGOWNOFSA-N 2 1 316.493 2.723 20 0 DFADMP C[S@](=O)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152689633 283334813 /nfs/dbraw/zinc/33/48/13/283334813.db2.gz GDXCAMIAUXATJX-JOCHJYFZSA-N 2 1 320.502 2.732 20 0 DFADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000467613377 299273688 /nfs/dbraw/zinc/27/36/88/299273688.db2.gz LTINSLFITNSWFO-IAGOWNOFSA-N 2 1 323.525 2.734 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@H](n3ccnc3)C2)cc1 ZINC000594732909 398851336 /nfs/dbraw/zinc/85/13/36/398851336.db2.gz QELUGLHROBIWPY-QGZVFWFLSA-N 2 1 315.417 2.745 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000594735630 398852099 /nfs/dbraw/zinc/85/20/99/398852099.db2.gz LTRUROWBDKNHJY-GOSISDBHSA-N 2 1 316.445 2.685 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC000153035057 283349998 /nfs/dbraw/zinc/34/99/98/283349998.db2.gz XJWLJQIFVFTGKV-MJGOQNOKSA-N 2 1 304.478 2.956 20 0 DFADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC)C1CCCCC1 ZINC000594944683 398878049 /nfs/dbraw/zinc/87/80/49/398878049.db2.gz BCLCFDXBWCIUOW-DJIMGWMZSA-N 2 1 310.482 2.818 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C)N(C)C ZINC000153297893 283361232 /nfs/dbraw/zinc/36/12/32/283361232.db2.gz ILFJPMSITMIPFP-AHCXZYCDSA-N 2 1 319.493 2.616 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N(C)C ZINC000153297893 283361235 /nfs/dbraw/zinc/36/12/35/283361235.db2.gz ILFJPMSITMIPFP-AHCXZYCDSA-N 2 1 319.493 2.616 20 0 DFADMP CN(C)c1nc(N2CCC(C[NH+]3CCCCCC3)CC2)cc[nH+]1 ZINC000077189631 398886721 /nfs/dbraw/zinc/88/67/21/398886721.db2.gz AMGWSDLJCXKRCA-UHFFFAOYSA-N 2 1 317.481 2.635 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1(C)C ZINC000598974057 398900322 /nfs/dbraw/zinc/90/03/22/398900322.db2.gz LGIYASWIYGTXPF-HRAATJIYSA-N 2 1 308.491 2.528 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1(C)C ZINC000598974057 398900325 /nfs/dbraw/zinc/90/03/25/398900325.db2.gz LGIYASWIYGTXPF-HRAATJIYSA-N 2 1 308.491 2.528 20 0 DFADMP Cc1nccnc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000187896627 200173589 /nfs/dbraw/zinc/17/35/89/200173589.db2.gz WPZLRKZTVNFADZ-OAHLLOKOSA-N 2 1 314.433 2.576 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C[C@@H]1C ZINC000599071635 398917296 /nfs/dbraw/zinc/91/72/96/398917296.db2.gz RQJDPVFZPKGJFM-VVLHAWIVSA-N 2 1 310.482 2.676 20 0 DFADMP C[C@H]1C[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237638092 202313727 /nfs/dbraw/zinc/31/37/27/202313727.db2.gz SYCSQSIQBXWUIU-USXIJHARSA-N 2 1 317.477 2.529 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000237682493 202327663 /nfs/dbraw/zinc/32/76/63/202327663.db2.gz ZAINGNUPLNSQCR-SJORKVTESA-N 2 1 321.509 2.761 20 0 DFADMP CCN(C)C(=O)[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000189404327 200394793 /nfs/dbraw/zinc/39/47/93/200394793.db2.gz WXOVPUDMFRYEBI-KBPBESRZSA-N 2 1 314.433 2.698 20 0 DFADMP Cc1cnc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471831592 299309508 /nfs/dbraw/zinc/30/95/08/299309508.db2.gz FNJDUGDJKVJWKM-QUCCMNQESA-N 2 1 324.472 2.957 20 0 DFADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000281239581 216177420 /nfs/dbraw/zinc/17/74/20/216177420.db2.gz NDIJJWLCFQTZOB-PXAZEXFGSA-N 2 1 304.409 2.896 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000417392170 296016361 /nfs/dbraw/zinc/01/63/61/296016361.db2.gz AZADCZJJKDAKDO-WKWVNEEDSA-N 2 1 314.473 2.790 20 0 DFADMP COC(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000599296328 398949827 /nfs/dbraw/zinc/94/98/27/398949827.db2.gz UYUYCRZKUMRSCP-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000599296328 398949830 /nfs/dbraw/zinc/94/98/30/398949830.db2.gz UYUYCRZKUMRSCP-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000599296328 398949833 /nfs/dbraw/zinc/94/98/33/398949833.db2.gz UYUYCRZKUMRSCP-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292720406 223216047 /nfs/dbraw/zinc/21/60/47/223216047.db2.gz FHBNQKGAFLSMIT-IBGZPJMESA-N 2 1 310.445 2.708 20 0 DFADMP c1cc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)cc2c1OCC2 ZINC000193266981 201017368 /nfs/dbraw/zinc/01/73/68/201017368.db2.gz NJOOGOWIINFPFO-UHFFFAOYSA-N 2 1 300.446 2.771 20 0 DFADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000162019181 398980045 /nfs/dbraw/zinc/98/00/45/398980045.db2.gz CFMYSNUCKJUODG-KRWDZBQOSA-N 2 1 310.482 2.918 20 0 DFADMP O[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000271861918 209277569 /nfs/dbraw/zinc/27/75/69/209277569.db2.gz OFHKJXRNHKCNDV-QZTJIDSGSA-N 2 1 306.425 2.713 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000167717309 398995103 /nfs/dbraw/zinc/99/51/03/398995103.db2.gz YCLMDTLMUPNBRM-FUHWJXTLSA-N 2 1 315.461 2.600 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417906586 296062564 /nfs/dbraw/zinc/06/25/64/296062564.db2.gz CCDPVFAWZIZOOF-INIZCTEOSA-N 2 1 317.477 2.598 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2C(=O)N(C)C)C1 ZINC000417906586 296062565 /nfs/dbraw/zinc/06/25/65/296062565.db2.gz CCDPVFAWZIZOOF-INIZCTEOSA-N 2 1 317.477 2.598 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1ccccc1C(=O)N(C)C)C(C)C ZINC000417930059 296064109 /nfs/dbraw/zinc/06/41/09/296064109.db2.gz AWLMTCOGXIVUTB-UHFFFAOYSA-N 2 1 319.493 2.987 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000417951267 296065987 /nfs/dbraw/zinc/06/59/87/296065987.db2.gz YNZWNWCHLIKKCQ-RHSMWYFYSA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000417951267 296065989 /nfs/dbraw/zinc/06/59/89/296065989.db2.gz YNZWNWCHLIKKCQ-RHSMWYFYSA-N 2 1 318.490 2.963 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587178 399022640 /nfs/dbraw/zinc/02/26/40/399022640.db2.gz DMLGAPWUPMMBKG-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587178 399022645 /nfs/dbraw/zinc/02/26/45/399022645.db2.gz DMLGAPWUPMMBKG-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587178 399022648 /nfs/dbraw/zinc/02/26/48/399022648.db2.gz DMLGAPWUPMMBKG-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP COC(=O)C[N@H+](CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000595668270 399026261 /nfs/dbraw/zinc/02/62/61/399026261.db2.gz LNGXPLDTMVBSGO-UHFFFAOYSA-N 2 1 307.438 2.779 20 0 DFADMP COC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)C1CCCCC1 ZINC000595668270 399026265 /nfs/dbraw/zinc/02/62/65/399026265.db2.gz LNGXPLDTMVBSGO-UHFFFAOYSA-N 2 1 307.438 2.779 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824122 193113143 /nfs/dbraw/zinc/11/31/43/193113143.db2.gz WIVGJFFJJLREJV-UHFFFAOYSA-N 2 1 303.450 2.604 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC1 ZINC000271795731 209223798 /nfs/dbraw/zinc/22/37/98/209223798.db2.gz HYEZTPKARXXANI-UHFFFAOYSA-N 2 1 322.836 2.853 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)C1 ZINC000621750264 399065200 /nfs/dbraw/zinc/06/52/00/399065200.db2.gz MBTMEVRKWSOGOU-WMZOPIPTSA-N 2 1 315.461 2.806 20 0 DFADMP C[C@H](c1ccncc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000606432096 399068053 /nfs/dbraw/zinc/06/80/53/399068053.db2.gz PTSOZCVMMAOVGF-FGTMMUONSA-N 2 1 316.493 2.633 20 0 DFADMP C[C@H](c1ccncc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000606432096 399068055 /nfs/dbraw/zinc/06/80/55/399068055.db2.gz PTSOZCVMMAOVGF-FGTMMUONSA-N 2 1 316.493 2.633 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccc21 ZINC000621750057 399066491 /nfs/dbraw/zinc/06/64/91/399066491.db2.gz HRVDTDBHLRLUBD-KRWDZBQOSA-N 2 1 312.417 2.669 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293106923 223399356 /nfs/dbraw/zinc/39/93/56/223399356.db2.gz YDOHYEVQKYGSHM-IBGZPJMESA-N 2 1 315.461 2.741 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293106923 223399359 /nfs/dbraw/zinc/39/93/59/223399359.db2.gz YDOHYEVQKYGSHM-IBGZPJMESA-N 2 1 315.461 2.741 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293106923 223399360 /nfs/dbraw/zinc/39/93/60/223399360.db2.gz YDOHYEVQKYGSHM-IBGZPJMESA-N 2 1 315.461 2.741 20 0 DFADMP [NH3+][C@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780942 399076312 /nfs/dbraw/zinc/07/63/12/399076312.db2.gz XNYHHATWOYSJJK-JXFKEZNVSA-N 2 1 323.440 2.982 20 0 DFADMP [NH3+][C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780942 399076322 /nfs/dbraw/zinc/07/63/22/399076322.db2.gz XNYHHATWOYSJJK-JXFKEZNVSA-N 2 1 323.440 2.982 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000058061098 399074555 /nfs/dbraw/zinc/07/45/55/399074555.db2.gz QVTJHZYGUVJIEW-INIZCTEOSA-N 2 1 306.450 2.914 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295083761 284019390 /nfs/dbraw/zinc/01/93/90/284019390.db2.gz QRGHAAJNVVGIAL-AITUJVMLSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)(C)c1cccc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479778177 299383585 /nfs/dbraw/zinc/38/35/85/299383585.db2.gz PGEUSNMFFVLXCY-IYBDPMFKSA-N 2 1 302.462 2.904 20 0 DFADMP c1ccc(COc2ccccc2C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479964215 299384828 /nfs/dbraw/zinc/38/48/28/299384828.db2.gz TXLOQTICJHEEGO-KDURUIRLSA-N 2 1 308.425 2.917 20 0 DFADMP c1ccc(COc2ccccc2C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479964215 299384829 /nfs/dbraw/zinc/38/48/29/299384829.db2.gz TXLOQTICJHEEGO-KDURUIRLSA-N 2 1 308.425 2.917 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253691 193181218 /nfs/dbraw/zinc/18/12/18/193181218.db2.gz SKMDUOIKSNNTBF-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253691 193181220 /nfs/dbraw/zinc/18/12/20/193181220.db2.gz SKMDUOIKSNNTBF-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253691 193181222 /nfs/dbraw/zinc/18/12/22/193181222.db2.gz SKMDUOIKSNNTBF-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253691 193181223 /nfs/dbraw/zinc/18/12/23/193181223.db2.gz SKMDUOIKSNNTBF-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275140536 212145726 /nfs/dbraw/zinc/14/57/26/212145726.db2.gz RLMUSIKGXREWJD-YSHGAJCASA-N 2 1 302.462 2.790 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC12CC3CC(CC(C3)C1)C2 ZINC000337289494 284069286 /nfs/dbraw/zinc/06/92/86/284069286.db2.gz CBWLDAFKHOTDHF-UHFFFAOYSA-N 2 1 319.537 2.772 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338272671 284097536 /nfs/dbraw/zinc/09/75/36/284097536.db2.gz CQCIXLANFYUDBO-ZBFHGGJFSA-N 2 1 318.452 2.837 20 0 DFADMP CCOC(=O)C1CCC([N@H+](CC)CCn2cc[nH+]c2C)CC1 ZINC000338377469 284106210 /nfs/dbraw/zinc/10/62/10/284106210.db2.gz BUASWVVKOZRTHO-UHFFFAOYSA-N 2 1 307.438 2.635 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)CCn2cc[nH+]c2C)CC1 ZINC000338377469 284106211 /nfs/dbraw/zinc/10/62/11/284106211.db2.gz BUASWVVKOZRTHO-UHFFFAOYSA-N 2 1 307.438 2.635 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1 ZINC000261732587 203105412 /nfs/dbraw/zinc/10/54/12/203105412.db2.gz MZFDUHZOULGUTJ-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)CC1CC[NH+](C)CC1 ZINC000093089350 193202356 /nfs/dbraw/zinc/20/23/56/193202356.db2.gz DSRUYQYKNBTFPH-UHFFFAOYSA-N 2 1 316.424 2.785 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000261906564 299399852 /nfs/dbraw/zinc/39/98/52/299399852.db2.gz PMVSRLOIGLAUCH-YMRXKLBXSA-N 2 1 310.401 2.973 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000262334111 203265206 /nfs/dbraw/zinc/26/52/06/203265206.db2.gz WIIMGKBQLZXYKW-APWZRJJASA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H](C[NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262398247 203284016 /nfs/dbraw/zinc/28/40/16/203284016.db2.gz PCVCFKDKYPQGFZ-HNNXBMFYSA-N 2 1 317.477 2.662 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000093639349 193279525 /nfs/dbraw/zinc/27/95/25/193279525.db2.gz IXMQCTMKAMJYCT-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000093639349 193279527 /nfs/dbraw/zinc/27/95/27/193279527.db2.gz IXMQCTMKAMJYCT-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000093639349 193279529 /nfs/dbraw/zinc/27/95/29/193279529.db2.gz IXMQCTMKAMJYCT-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000093596994 193271750 /nfs/dbraw/zinc/27/17/50/193271750.db2.gz ZCEQAJPSCDMQKZ-SFHVURJKSA-N 2 1 310.445 2.790 20 0 DFADMP c1cnn(-c2cccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)c1 ZINC000093596994 193271752 /nfs/dbraw/zinc/27/17/52/193271752.db2.gz ZCEQAJPSCDMQKZ-SFHVURJKSA-N 2 1 310.445 2.790 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093742395 193299311 /nfs/dbraw/zinc/29/93/11/193299311.db2.gz WAQLIIOSBLZEGN-HNNXBMFYSA-N 2 1 313.449 2.635 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093742395 193299315 /nfs/dbraw/zinc/29/93/15/193299315.db2.gz WAQLIIOSBLZEGN-HNNXBMFYSA-N 2 1 313.449 2.635 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093742395 193299317 /nfs/dbraw/zinc/29/93/17/193299317.db2.gz WAQLIIOSBLZEGN-HNNXBMFYSA-N 2 1 313.449 2.635 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093742395 193299319 /nfs/dbraw/zinc/29/93/19/193299319.db2.gz WAQLIIOSBLZEGN-HNNXBMFYSA-N 2 1 313.449 2.635 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093742396 193299369 /nfs/dbraw/zinc/29/93/69/193299369.db2.gz WAQLIIOSBLZEGN-OAHLLOKOSA-N 2 1 313.449 2.635 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093742396 193299371 /nfs/dbraw/zinc/29/93/71/193299371.db2.gz WAQLIIOSBLZEGN-OAHLLOKOSA-N 2 1 313.449 2.635 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093742396 193299372 /nfs/dbraw/zinc/29/93/72/193299372.db2.gz WAQLIIOSBLZEGN-OAHLLOKOSA-N 2 1 313.449 2.635 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093742396 193299374 /nfs/dbraw/zinc/29/93/74/193299374.db2.gz WAQLIIOSBLZEGN-OAHLLOKOSA-N 2 1 313.449 2.635 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2c(CC)nn(C)c2CC)C1 ZINC000093753278 193300851 /nfs/dbraw/zinc/30/08/51/193300851.db2.gz GBNARSNKXSJMSU-OAHLLOKOSA-N 2 1 306.498 2.709 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2c(CC)nn(C)c2CC)C1 ZINC000093753278 193300853 /nfs/dbraw/zinc/30/08/53/193300853.db2.gz GBNARSNKXSJMSU-OAHLLOKOSA-N 2 1 306.498 2.709 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000093753278 193300854 /nfs/dbraw/zinc/30/08/54/193300854.db2.gz GBNARSNKXSJMSU-OAHLLOKOSA-N 2 1 306.498 2.709 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2c(CC)nn(C)c2CC)C1 ZINC000093753278 193300856 /nfs/dbraw/zinc/30/08/56/193300856.db2.gz GBNARSNKXSJMSU-OAHLLOKOSA-N 2 1 306.498 2.709 20 0 DFADMP C[N@H+](Cc1cc(F)cc(Br)c1)C1CC[NH2+]CC1 ZINC000093996536 193336924 /nfs/dbraw/zinc/33/69/24/193336924.db2.gz LNOGGKAHEGYNPQ-UHFFFAOYSA-N 2 1 301.203 2.772 20 0 DFADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C1CC[NH2+]CC1 ZINC000093996536 193336926 /nfs/dbraw/zinc/33/69/26/193336926.db2.gz LNOGGKAHEGYNPQ-UHFFFAOYSA-N 2 1 301.203 2.772 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccnn2C)CC1 ZINC000093844564 193317189 /nfs/dbraw/zinc/31/71/89/193317189.db2.gz LNMCVYCKGAHLNV-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1OC(F)F ZINC000093873035 193321406 /nfs/dbraw/zinc/32/14/06/193321406.db2.gz HAOLPMMJXOWCRD-UHFFFAOYSA-N 2 1 302.365 2.713 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000093963553 193331923 /nfs/dbraw/zinc/33/19/23/193331923.db2.gz ALXJOSCYLRJASF-ZDUSSCGKSA-N 2 1 303.454 2.648 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)cn1 ZINC000274986247 212058830 /nfs/dbraw/zinc/05/88/30/212058830.db2.gz ZYJTXTLRSUIBBP-CQSZACIVSA-N 2 1 324.900 2.659 20 0 DFADMP CC[C@@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000340520095 284185829 /nfs/dbraw/zinc/18/58/29/284185829.db2.gz OLXDTUQIUGMZSI-PBHICJAKSA-N 2 1 324.432 2.902 20 0 DFADMP C[NH2+][C@@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000420155174 296159805 /nfs/dbraw/zinc/15/98/05/296159805.db2.gz FERGELVNAFCLJJ-LLVKDONJSA-N 2 1 306.207 2.795 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(N[C@@H](CCC[NH3+])c2ccccc2)n1 ZINC000420272721 296168044 /nfs/dbraw/zinc/16/80/44/296168044.db2.gz IOGAJGITYDLUHZ-INIZCTEOSA-N 2 1 322.416 2.863 20 0 DFADMP Brc1ccc2c(c1)[nH+]ccc2N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000420265901 296167324 /nfs/dbraw/zinc/16/73/24/296167324.db2.gz BXIXKBXERRXGGR-BMIGLBTASA-N 2 1 318.218 2.795 20 0 DFADMP C[N@@H+](CCOc1ccccc1Br)C1CC[NH2+]CC1 ZINC000420281201 296168968 /nfs/dbraw/zinc/16/89/68/296168968.db2.gz ZVBVEWQWLBYXEI-UHFFFAOYSA-N 2 1 313.239 2.512 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000264951934 204298472 /nfs/dbraw/zinc/29/84/72/204298472.db2.gz BTFNUJPZDVXFHB-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295325 296170527 /nfs/dbraw/zinc/17/05/27/296170527.db2.gz CFACGTMCSADBRK-LULLPPNCSA-N 2 1 304.478 2.818 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)cc1 ZINC000420296955 296170745 /nfs/dbraw/zinc/17/07/45/296170745.db2.gz CTRGZQLPTNHASR-KRWDZBQOSA-N 2 1 314.429 2.878 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297867 296170753 /nfs/dbraw/zinc/17/07/53/296170753.db2.gz DQRNMRYWBDWCHN-CCKFTAQKSA-N 2 1 316.420 2.749 20 0 DFADMP C[C@H]([C@@H](C)c1ccc(Cl)cc1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420301550 296171621 /nfs/dbraw/zinc/17/16/21/296171621.db2.gz LKYKZFSWIGNRDG-HUUCEWRRSA-N 2 1 309.885 2.669 20 0 DFADMP Fc1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420303924 296172078 /nfs/dbraw/zinc/17/20/78/296172078.db2.gz NYKQSEBBAYMMMA-MAUKXSAKSA-N 2 1 306.425 2.806 20 0 DFADMP C[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304953 296172263 /nfs/dbraw/zinc/17/22/63/296172263.db2.gz PADWFBDTUXHBEX-XPGWFJOJSA-N 2 1 310.441 2.537 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)s1 ZINC000420306710 296172427 /nfs/dbraw/zinc/17/24/27/296172427.db2.gz AUUCUKULOADGEU-UHFFFAOYSA-N 2 1 310.463 2.876 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C[NH3+])c2ccc(OC)cc2)C[C@@H]1C ZINC000420308066 296173048 /nfs/dbraw/zinc/17/30/48/296173048.db2.gz CISWWIGHPFFAFP-SZMVWBNQSA-N 2 1 319.493 2.542 20 0 DFADMP c1cc(C[N@H+](CC[C@H]2CC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000420309518 296173011 /nfs/dbraw/zinc/17/30/11/296173011.db2.gz LNNUSNOQNHAVGX-NVXWUHKLSA-N 3 1 319.518 2.692 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420318119 296174547 /nfs/dbraw/zinc/17/45/47/296174547.db2.gz PLCWPZKUVNGYAW-SFHVURJKSA-N 2 1 316.401 2.780 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000420318119 296174548 /nfs/dbraw/zinc/17/45/48/296174548.db2.gz PLCWPZKUVNGYAW-SFHVURJKSA-N 2 1 316.401 2.780 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318695 296174622 /nfs/dbraw/zinc/17/46/22/296174622.db2.gz OKELVEGNRQRVOR-RBUKOAKNSA-N 3 1 307.526 2.820 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)CC1 ZINC000420318693 296174650 /nfs/dbraw/zinc/17/46/50/296174650.db2.gz OKELVEGNRQRVOR-MOPGFXCFSA-N 3 1 307.526 2.820 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2ccnn2C)c1 ZINC000622005110 399165414 /nfs/dbraw/zinc/16/54/14/399165414.db2.gz YSWWPKQCQRGPJP-QFBILLFUSA-N 2 1 310.445 2.709 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@]3([NH3+])C2)c(-c2ccnn2C)c1 ZINC000622005110 399165418 /nfs/dbraw/zinc/16/54/18/399165418.db2.gz YSWWPKQCQRGPJP-QFBILLFUSA-N 2 1 310.445 2.709 20 0 DFADMP C[N@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1(C[NH3+])CCC1 ZINC000420323635 296175196 /nfs/dbraw/zinc/17/51/96/296175196.db2.gz GMLWZCWNMDIQLW-UHFFFAOYSA-N 2 1 313.804 2.621 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)C1(C[NH3+])CCC1 ZINC000420323635 296175198 /nfs/dbraw/zinc/17/51/98/296175198.db2.gz GMLWZCWNMDIQLW-UHFFFAOYSA-N 2 1 313.804 2.621 20 0 DFADMP Fc1ccc(C[N@@H+](CCN2CC[NH2+]CC2)C2CCCC2)c(F)c1 ZINC000420323440 296175332 /nfs/dbraw/zinc/17/53/32/296175332.db2.gz UHNSICIRDCCXDH-UHFFFAOYSA-N 2 1 323.431 2.615 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323655 296175457 /nfs/dbraw/zinc/17/54/57/296175457.db2.gz GPLJAPFUVCABAR-NVXWUHKLSA-N 2 1 306.425 2.964 20 0 DFADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420321398 296174925 /nfs/dbraw/zinc/17/49/25/296174925.db2.gz ZZYSQGJVXIISEQ-CABCVRRESA-N 2 1 303.450 2.637 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331379 296176530 /nfs/dbraw/zinc/17/65/30/296176530.db2.gz BVGWJYMRUIMBEB-IRXDYDNUSA-N 2 1 315.461 2.563 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420326871 296175836 /nfs/dbraw/zinc/17/58/36/296175836.db2.gz XTXRMEGGNDCODN-NVXWUHKLSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420326871 296175837 /nfs/dbraw/zinc/17/58/37/296175837.db2.gz XTXRMEGGNDCODN-NVXWUHKLSA-N 2 1 311.429 2.830 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335903 296177163 /nfs/dbraw/zinc/17/71/63/296177163.db2.gz IANLZZKOLVBYLM-RCCFBDPRSA-N 2 1 323.525 2.639 20 0 DFADMP CCc1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420332714 296176749 /nfs/dbraw/zinc/17/67/49/296176749.db2.gz DROGVJRBDASVAM-ZWKOTPCHSA-N 2 1 302.462 2.949 20 0 DFADMP Fc1ccc(OCCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420334984 296176756 /nfs/dbraw/zinc/17/67/56/296176756.db2.gz GZRSGOBVGDKABW-JKSUJKDBSA-N 2 1 306.425 2.916 20 0 DFADMP COc1cc(Cl)ccc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420336176 296177010 /nfs/dbraw/zinc/17/70/10/296177010.db2.gz VNWNAXQREGEREH-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP COc1cc(Cl)ccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420336176 296177011 /nfs/dbraw/zinc/17/70/11/296177011.db2.gz VNWNAXQREGEREH-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP Fc1cccc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000420341844 296177767 /nfs/dbraw/zinc/17/77/67/296177767.db2.gz QKFRDUPGYLEKKE-GASCZTMLSA-N 2 1 315.392 2.912 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420341510 296177871 /nfs/dbraw/zinc/17/78/71/296177871.db2.gz ORJYUFUWPZTZMM-ZIAGYGMSSA-N 2 1 321.852 2.600 20 0 DFADMP CCc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420346580 296178362 /nfs/dbraw/zinc/17/83/62/296178362.db2.gz YTYMQXKAOPOWBS-IRXDYDNUSA-N 2 1 315.461 2.509 20 0 DFADMP CCc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420346577 296178394 /nfs/dbraw/zinc/17/83/94/296178394.db2.gz YTYMQXKAOPOWBS-DLBZAZTESA-N 2 1 315.461 2.509 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420346943 296178416 /nfs/dbraw/zinc/17/84/16/296178416.db2.gz ZMVASFRSLAUKMK-DLBZAZTESA-N 2 1 315.461 2.563 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)CCC2 ZINC000282490852 217036112 /nfs/dbraw/zinc/03/61/12/217036112.db2.gz XMCUYINEXYWCBW-INIZCTEOSA-N 2 1 315.505 2.852 20 0 DFADMP CC(C)Oc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282519297 217057240 /nfs/dbraw/zinc/05/72/40/217057240.db2.gz YCTYBVXPFYKGCZ-UHFFFAOYSA-N 2 1 319.493 2.589 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3CC[C@H]([NH3+])[C@@H]3C)CCC2)c1 ZINC000420357031 296179307 /nfs/dbraw/zinc/17/93/07/296179307.db2.gz RPQDNZYALYIZAZ-YJBOKZPZSA-N 2 1 318.461 2.804 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000420363962 296180472 /nfs/dbraw/zinc/18/04/72/296180472.db2.gz QERZFBVMOPXTBX-HKUYNNGSSA-N 2 1 311.429 2.970 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@H+](CCC1CC[NH2+]CC1)CC2 ZINC000420367050 296181092 /nfs/dbraw/zinc/18/10/92/296181092.db2.gz GMFFZMQDGJGIQJ-UHFFFAOYSA-N 2 1 300.446 2.680 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH2+][C@H](C[NH3+])C(C)(C)C ZINC000420367463 296181222 /nfs/dbraw/zinc/18/12/22/296181222.db2.gz SGYCLOSMRNLAKS-CQSZACIVSA-N 2 1 309.479 2.700 20 0 DFADMP Cn1c(CC[NH2+][C@H](C[NH3+])C2CCCCC2)nc2ccccc21 ZINC000420371335 296181987 /nfs/dbraw/zinc/18/19/87/296181987.db2.gz PIBSOUSIXZXEKJ-MRXNPFEDSA-N 2 1 300.450 2.613 20 0 DFADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1cccc(F)c1)C1CCCCC1 ZINC000420374725 296182427 /nfs/dbraw/zinc/18/24/27/296182427.db2.gz SGQUJEINBSHNMR-INIZCTEOSA-N 2 1 307.413 2.652 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342051884 284316900 /nfs/dbraw/zinc/31/69/00/284316900.db2.gz BCGIMXLUTULKFW-OAHLLOKOSA-N 2 1 306.450 2.834 20 0 DFADMP CCCc1nc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000420380069 296183502 /nfs/dbraw/zinc/18/35/02/296183502.db2.gz BQMQLRGGPATVED-ZBFHGGJFSA-N 2 1 323.506 2.814 20 0 DFADMP C[NH2+]CCC[N@H+](C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000420388194 296184677 /nfs/dbraw/zinc/18/46/77/296184677.db2.gz LGOZAVJGIHSWNV-UHFFFAOYSA-N 2 1 306.328 2.505 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCOc1ccc(OC(F)(F)F)cc1 ZINC000420388194 296184678 /nfs/dbraw/zinc/18/46/78/296184678.db2.gz LGOZAVJGIHSWNV-UHFFFAOYSA-N 2 1 306.328 2.505 20 0 DFADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420390208 296184863 /nfs/dbraw/zinc/18/48/63/296184863.db2.gz ZAOMAEIKROKTKP-JSGCOSHPSA-N 2 1 319.840 2.788 20 0 DFADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420385691 296184329 /nfs/dbraw/zinc/18/43/29/296184329.db2.gz UEKKACCJSIYDRJ-BLLLJJGKSA-N 2 1 319.840 2.788 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+]3C[C@@H](C)[C@@H]([NH3+])C3)CCC2)c1 ZINC000420389999 296185005 /nfs/dbraw/zinc/18/50/05/296185005.db2.gz XTVCWPXFTJPOMV-QAPCUYQASA-N 2 1 318.461 2.661 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H](C)[C@@H]([NH3+])C3)CCC2)c1 ZINC000420389999 296185007 /nfs/dbraw/zinc/18/50/07/296185007.db2.gz XTVCWPXFTJPOMV-QAPCUYQASA-N 2 1 318.461 2.661 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)s1 ZINC000420399695 296186128 /nfs/dbraw/zinc/18/61/28/296186128.db2.gz ODGRPUJTTIJQTP-DZGCQCFKSA-N 2 1 322.474 2.807 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(C)s1 ZINC000420399695 296186129 /nfs/dbraw/zinc/18/61/29/296186129.db2.gz ODGRPUJTTIJQTP-DZGCQCFKSA-N 2 1 322.474 2.807 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C2CCC2)CC[N@H+]1C ZINC000596118561 399180390 /nfs/dbraw/zinc/18/03/90/399180390.db2.gz ZXNRMHBDBYTJLE-VNQPRFMTSA-N 2 1 310.482 2.817 20 0 DFADMP C[C@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000420413165 296187878 /nfs/dbraw/zinc/18/78/78/296187878.db2.gz STAOYXBCMNVCIO-NWDGAFQWSA-N 2 1 300.805 2.775 20 0 DFADMP C[C@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000420413165 296187879 /nfs/dbraw/zinc/18/78/79/296187879.db2.gz STAOYXBCMNVCIO-NWDGAFQWSA-N 2 1 300.805 2.775 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C[NH3+] ZINC000420418617 296188071 /nfs/dbraw/zinc/18/80/71/296188071.db2.gz XBBIREQYWRESFE-OCCSQVGLSA-N 2 1 303.381 2.897 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@@H]1C[NH3+] ZINC000420418617 296188073 /nfs/dbraw/zinc/18/80/73/296188073.db2.gz XBBIREQYWRESFE-OCCSQVGLSA-N 2 1 303.381 2.897 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+](C)C[C@H]3CC[NH+](C)C3)s2)cn1 ZINC000282756646 217228616 /nfs/dbraw/zinc/22/86/16/217228616.db2.gz HREPIGPKUZNOJQ-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C)C[C@H]3CC[NH+](C)C3)s2)cn1 ZINC000282756646 217228620 /nfs/dbraw/zinc/22/86/20/217228620.db2.gz HREPIGPKUZNOJQ-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(-c2ccc(C[NH+](C)C[C@H]3CC[N@H+](C)C3)s2)cn1 ZINC000282756646 217228623 /nfs/dbraw/zinc/22/86/23/217228623.db2.gz HREPIGPKUZNOJQ-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(-c2ccc(C[NH+](C)C[C@H]3CC[N@@H+](C)C3)s2)cn1 ZINC000282756646 217228624 /nfs/dbraw/zinc/22/86/24/217228624.db2.gz HREPIGPKUZNOJQ-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP COc1ccc(COCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000607739682 399191210 /nfs/dbraw/zinc/19/12/10/399191210.db2.gz VTKMLILLWAHQST-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000607739682 399191218 /nfs/dbraw/zinc/19/12/18/399191218.db2.gz VTKMLILLWAHQST-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000607739682 399191230 /nfs/dbraw/zinc/19/12/30/399191230.db2.gz VTKMLILLWAHQST-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000607739682 399191234 /nfs/dbraw/zinc/19/12/34/399191234.db2.gz VTKMLILLWAHQST-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000601007331 399201011 /nfs/dbraw/zinc/20/10/11/399201011.db2.gz DUZUYBBSRDJJNQ-MSOLQXFVSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000601007331 399201014 /nfs/dbraw/zinc/20/10/14/399201014.db2.gz DUZUYBBSRDJJNQ-MSOLQXFVSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000601007331 399201017 /nfs/dbraw/zinc/20/10/17/399201017.db2.gz DUZUYBBSRDJJNQ-MSOLQXFVSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000601007331 399201021 /nfs/dbraw/zinc/20/10/21/399201021.db2.gz DUZUYBBSRDJJNQ-MSOLQXFVSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000618662001 399200374 /nfs/dbraw/zinc/20/03/74/399200374.db2.gz VCTSBDJPNUAJFK-IRXDYDNUSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCCCO ZINC000081013337 399203588 /nfs/dbraw/zinc/20/35/88/399203588.db2.gz DZFZUGFSRDZHRS-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCCCO ZINC000081013337 399203593 /nfs/dbraw/zinc/20/35/93/399203593.db2.gz DZFZUGFSRDZHRS-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCCCCO ZINC000081013337 399203596 /nfs/dbraw/zinc/20/35/96/399203596.db2.gz DZFZUGFSRDZHRS-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCCCCO ZINC000081013337 399203600 /nfs/dbraw/zinc/20/36/00/399203600.db2.gz DZFZUGFSRDZHRS-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000614342013 399214505 /nfs/dbraw/zinc/21/45/05/399214505.db2.gz MAJRJCKNAUTOPY-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000188920793 296201825 /nfs/dbraw/zinc/20/18/25/296201825.db2.gz XTOPDHHJAMXUAF-JEIKXUOUSA-N 2 1 318.505 2.935 20 0 DFADMP CC(C)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420912719 296211014 /nfs/dbraw/zinc/21/10/14/296211014.db2.gz HVLOHXVXIJSNJH-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP CC(C)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420912719 296211016 /nfs/dbraw/zinc/21/10/16/296211016.db2.gz HVLOHXVXIJSNJH-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000420916694 296211728 /nfs/dbraw/zinc/21/17/28/296211728.db2.gz PAZHAAVVRNVFSQ-DSLXNQLJSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000420916694 296211729 /nfs/dbraw/zinc/21/17/29/296211729.db2.gz PAZHAAVVRNVFSQ-DSLXNQLJSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000420916694 296211731 /nfs/dbraw/zinc/21/17/31/296211731.db2.gz PAZHAAVVRNVFSQ-DSLXNQLJSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000420916694 296211734 /nfs/dbraw/zinc/21/17/34/296211734.db2.gz PAZHAAVVRNVFSQ-DSLXNQLJSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420921723 296212596 /nfs/dbraw/zinc/21/25/96/296212596.db2.gz MHVUGBIVKKSJOZ-GSWVMVDTSA-N 2 1 302.462 2.504 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420961292 296217985 /nfs/dbraw/zinc/21/79/85/296217985.db2.gz IZOWXTOKGRCNKS-FGTMMUONSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420961292 296217988 /nfs/dbraw/zinc/21/79/88/296217988.db2.gz IZOWXTOKGRCNKS-FGTMMUONSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420961294 296218006 /nfs/dbraw/zinc/21/80/06/296218006.db2.gz IZOWXTOKGRCNKS-KSZLIROESA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H](O)C1 ZINC000420961294 296218008 /nfs/dbraw/zinc/21/80/08/296218008.db2.gz IZOWXTOKGRCNKS-KSZLIROESA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000420980672 296220202 /nfs/dbraw/zinc/22/02/02/296220202.db2.gz XGNMYOFAJUDJEQ-IBGZPJMESA-N 2 1 318.461 2.518 20 0 DFADMP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCOC1 ZINC000420980672 296220204 /nfs/dbraw/zinc/22/02/04/296220204.db2.gz XGNMYOFAJUDJEQ-IBGZPJMESA-N 2 1 318.461 2.518 20 0 DFADMP CC(C)C1CCC([NH+]2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)CC1 ZINC000622421712 399252872 /nfs/dbraw/zinc/25/28/72/399252872.db2.gz HDIUVWNAIAFVMU-UHFFFAOYSA-N 2 1 323.525 2.686 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC000608362560 399256490 /nfs/dbraw/zinc/25/64/90/399256490.db2.gz RULQEGJLBUCAIA-NVXWUHKLSA-N 2 1 318.465 2.620 20 0 DFADMP CC(C)C1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000608499395 399271959 /nfs/dbraw/zinc/27/19/59/399271959.db2.gz QYPUDATYUINXME-IBGZPJMESA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000608499395 399271962 /nfs/dbraw/zinc/27/19/62/399271962.db2.gz QYPUDATYUINXME-IBGZPJMESA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)c1sccc1C[NH+](C)C ZINC000618987540 399271986 /nfs/dbraw/zinc/27/19/86/399271986.db2.gz PRUXPWXVODQESH-CQSZACIVSA-N 2 1 323.506 2.660 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421330702 296245100 /nfs/dbraw/zinc/24/51/00/296245100.db2.gz YKCIZEVOYXIFLV-UHFFFAOYSA-N 2 1 315.505 2.927 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618997863 399274526 /nfs/dbraw/zinc/27/45/26/399274526.db2.gz ZGKGPARAPTUKKQ-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000623086692 399324882 /nfs/dbraw/zinc/32/48/82/399324882.db2.gz FMSRICRPKKKILE-UHFFFAOYSA-N 2 1 322.412 2.726 20 0 DFADMP Cc1cc(C[NH2+]CCc2c[nH+]cn2C)c(OC(F)F)cc1C ZINC000623086535 399323884 /nfs/dbraw/zinc/32/38/84/399323884.db2.gz YIAQBYYNQJTGIO-UHFFFAOYSA-N 2 1 309.360 2.971 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000105451335 194104937 /nfs/dbraw/zinc/10/49/37/194104937.db2.gz JDFLZFJJVCHFCK-MAUKXSAKSA-N 2 1 319.493 2.766 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)CC1(C)C ZINC000623342184 399366415 /nfs/dbraw/zinc/36/64/15/399366415.db2.gz KVOLJGWKKCZQRU-OAHLLOKOSA-N 2 1 300.450 2.889 20 0 DFADMP CCN1CCC([N@@H+]2CCCN(C(=O)C3=CCCCC3)CC2)CC1 ZINC000422020065 296291599 /nfs/dbraw/zinc/29/15/99/296291599.db2.gz MBLPCHYIDPSBRB-UHFFFAOYSA-N 2 1 319.493 2.505 20 0 DFADMP CCN1CCC([N@H+]2CCCN(C(=O)C3=CCCCC3)CC2)CC1 ZINC000422020065 296291601 /nfs/dbraw/zinc/29/16/01/296291601.db2.gz MBLPCHYIDPSBRB-UHFFFAOYSA-N 2 1 319.493 2.505 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1(C)C ZINC000623356480 399371228 /nfs/dbraw/zinc/37/12/28/399371228.db2.gz SJPGTUOZSVTBBX-IRXDYDNUSA-N 2 1 301.478 2.975 20 0 DFADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623361855 399372611 /nfs/dbraw/zinc/37/26/11/399372611.db2.gz TVZOYHGUKVVGNR-INIZCTEOSA-N 2 1 306.450 2.674 20 0 DFADMP COCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623361855 399372612 /nfs/dbraw/zinc/37/26/12/399372612.db2.gz TVZOYHGUKVVGNR-INIZCTEOSA-N 2 1 306.450 2.674 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC1(C)C ZINC000623361627 399372623 /nfs/dbraw/zinc/37/26/23/399372623.db2.gz HVEZPCRMPXWHFQ-KRWDZBQOSA-N 2 1 316.493 2.508 20 0 DFADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380514 399376519 /nfs/dbraw/zinc/37/65/19/399376519.db2.gz BSQSXXFCBSCQEH-NVXWUHKLSA-N 2 1 301.478 2.900 20 0 DFADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384986 399377090 /nfs/dbraw/zinc/37/70/90/399377090.db2.gz WCCWGZLNTPFJCE-CYBMUJFWSA-N 2 1 311.420 2.852 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384986 399377094 /nfs/dbraw/zinc/37/70/94/399377094.db2.gz WCCWGZLNTPFJCE-CYBMUJFWSA-N 2 1 311.420 2.852 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)CC1(C)C ZINC000623393040 399379311 /nfs/dbraw/zinc/37/93/11/399379311.db2.gz WSCXLFPSTLTIAG-KRWDZBQOSA-N 2 1 312.461 2.877 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421718 399386215 /nfs/dbraw/zinc/38/62/15/399386215.db2.gz XLCIKELKUYKJRR-JKSUJKDBSA-N 2 1 315.461 2.534 20 0 DFADMP Cn1c(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)nc2cc(F)ccc21 ZINC000623425934 399386785 /nfs/dbraw/zinc/38/67/85/399386785.db2.gz VIVIYEAZLZJEHI-AWEZNQCLSA-N 2 1 318.440 2.717 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623430920 399388339 /nfs/dbraw/zinc/38/83/39/399388339.db2.gz LOBDWBYURDKNGR-BBRMVZONSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623430920 399388342 /nfs/dbraw/zinc/38/83/42/399388342.db2.gz LOBDWBYURDKNGR-BBRMVZONSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C1CC1 ZINC000268835006 207000092 /nfs/dbraw/zinc/00/00/92/207000092.db2.gz AWJVHINBUGDYNN-MBOZVWFJSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000268835006 207000095 /nfs/dbraw/zinc/00/00/95/207000095.db2.gz AWJVHINBUGDYNN-MBOZVWFJSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000268835006 207000098 /nfs/dbraw/zinc/00/00/98/207000098.db2.gz AWJVHINBUGDYNN-MBOZVWFJSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C1CC1 ZINC000268835005 207001056 /nfs/dbraw/zinc/00/10/56/207001056.db2.gz AWJVHINBUGDYNN-HLIPFELVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000268835005 207001058 /nfs/dbraw/zinc/00/10/58/207001058.db2.gz AWJVHINBUGDYNN-HLIPFELVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000268835005 207001064 /nfs/dbraw/zinc/00/10/64/207001064.db2.gz AWJVHINBUGDYNN-HLIPFELVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@@H]1C[NH3+] ZINC000422561085 296312552 /nfs/dbraw/zinc/31/25/52/296312552.db2.gz IXNYSPOGQMSZLY-FMKPAKJESA-N 2 1 316.424 2.817 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000268838739 207003535 /nfs/dbraw/zinc/00/35/35/207003535.db2.gz AFIWAOZUGFFGKI-QFBILLFUSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000268838739 207003539 /nfs/dbraw/zinc/00/35/39/207003539.db2.gz AFIWAOZUGFFGKI-QFBILLFUSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000422559484 296312211 /nfs/dbraw/zinc/31/22/11/296312211.db2.gz DFSGHGFRVRBCBV-HZSPNIEDSA-N 2 1 318.490 2.954 20 0 DFADMP c1cc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc(C2CC2)c1 ZINC000422558876 296312345 /nfs/dbraw/zinc/31/23/45/296312345.db2.gz ZWOIRRVTQYEVFH-UHFFFAOYSA-N 2 1 313.489 2.870 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@@H]1C[NH3+] ZINC000422562482 296313110 /nfs/dbraw/zinc/31/31/10/296313110.db2.gz QLAICCJLMLRNBH-MCIONIFRSA-N 2 1 304.463 2.739 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000268861809 207029232 /nfs/dbraw/zinc/02/92/32/207029232.db2.gz MTXFYJADYWFYOH-CYBMUJFWSA-N 2 1 300.406 2.891 20 0 DFADMP CSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1F ZINC000268875652 207044309 /nfs/dbraw/zinc/04/43/09/207044309.db2.gz WQDZQOUMJHKJRR-OCCSQVGLSA-N 2 1 312.454 2.655 20 0 DFADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623484971 399399415 /nfs/dbraw/zinc/39/94/15/399399415.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484971 399399420 /nfs/dbraw/zinc/39/94/20/399399420.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484971 399399425 /nfs/dbraw/zinc/39/94/25/399399425.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484971 399399428 /nfs/dbraw/zinc/39/94/28/399399428.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484971 399399432 /nfs/dbraw/zinc/39/94/32/399399432.db2.gz JBMAHAJTQGCWRQ-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP CO[C@H](C)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268890807 207060056 /nfs/dbraw/zinc/06/00/56/207060056.db2.gz YTBDRZIREIQPRA-OAHLLOKOSA-N 2 1 308.441 2.847 20 0 DFADMP O=C(CC[NH+]1CCC2(CC[NH2+]2)CC1)Nc1cccc2ccccc21 ZINC000422640012 296317133 /nfs/dbraw/zinc/31/71/33/296317133.db2.gz UKDHVPDDPXGRNK-UHFFFAOYSA-N 2 1 323.440 2.996 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000422698557 296318294 /nfs/dbraw/zinc/31/82/94/296318294.db2.gz ZXDYMSZFLHWJNH-SOLBZPMBSA-N 2 1 315.461 2.692 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268915094 207083760 /nfs/dbraw/zinc/08/37/60/207083760.db2.gz ZZAKUGOMKKJTNE-HNNXBMFYSA-N 2 1 317.433 2.958 20 0 DFADMP CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+]1CCc2ccccc2C1 ZINC000422703595 296318643 /nfs/dbraw/zinc/31/86/43/296318643.db2.gz NLRHUGDGSDEAGD-DFNIBXOVSA-N 2 1 313.489 2.696 20 0 DFADMP C[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511074 399404770 /nfs/dbraw/zinc/40/47/70/399404770.db2.gz YZUYLXQFQJOIPC-RBUKOAKNSA-N 3 1 315.505 2.971 20 0 DFADMP CC(C)(CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000422703595 296318644 /nfs/dbraw/zinc/31/86/44/296318644.db2.gz NLRHUGDGSDEAGD-DFNIBXOVSA-N 2 1 313.489 2.696 20 0 DFADMP C[NH+]1CC[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511074 399404774 /nfs/dbraw/zinc/40/47/74/399404774.db2.gz YZUYLXQFQJOIPC-RBUKOAKNSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511074 399404777 /nfs/dbraw/zinc/40/47/77/399404777.db2.gz YZUYLXQFQJOIPC-RBUKOAKNSA-N 3 1 315.505 2.971 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623511074 399404783 /nfs/dbraw/zinc/40/47/83/399404783.db2.gz YZUYLXQFQJOIPC-RBUKOAKNSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511074 399404787 /nfs/dbraw/zinc/40/47/87/399404787.db2.gz YZUYLXQFQJOIPC-RBUKOAKNSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1(C)C ZINC000623511074 399404790 /nfs/dbraw/zinc/40/47/90/399404790.db2.gz YZUYLXQFQJOIPC-RBUKOAKNSA-N 3 1 315.505 2.971 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940853 207104513 /nfs/dbraw/zinc/10/45/13/207104513.db2.gz AGRSXTSRTLDIFH-QZTJIDSGSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940853 207104517 /nfs/dbraw/zinc/10/45/17/207104517.db2.gz AGRSXTSRTLDIFH-QZTJIDSGSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940853 207104520 /nfs/dbraw/zinc/10/45/20/207104520.db2.gz AGRSXTSRTLDIFH-QZTJIDSGSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+](C)C[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623525360 399408328 /nfs/dbraw/zinc/40/83/28/399408328.db2.gz HZMAOKDCAJBINB-IAGOWNOFSA-N 2 1 307.457 2.891 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)CC(F)(F)F ZINC000422711065 296319813 /nfs/dbraw/zinc/31/98/13/296319813.db2.gz MEVBTWHWYKSKDT-HUUCEWRRSA-N 2 1 315.383 2.563 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953959 207118329 /nfs/dbraw/zinc/11/83/29/207118329.db2.gz SYBVQBHRNDBFCA-DOMZBBRYSA-N 2 1 304.463 2.853 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953959 207118332 /nfs/dbraw/zinc/11/83/32/207118332.db2.gz SYBVQBHRNDBFCA-DOMZBBRYSA-N 2 1 304.463 2.853 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953959 207118335 /nfs/dbraw/zinc/11/83/35/207118335.db2.gz SYBVQBHRNDBFCA-DOMZBBRYSA-N 2 1 304.463 2.853 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422717956 296320801 /nfs/dbraw/zinc/32/08/01/296320801.db2.gz KXEOOUDECDEVKI-UONOGXRCSA-N 2 1 324.350 2.861 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)N1CCc2ccccc2C1 ZINC000422721856 296321676 /nfs/dbraw/zinc/32/16/76/296321676.db2.gz WFBMQIPPPOAGIJ-CABCVRRESA-N 2 1 310.445 2.592 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000268971034 207135486 /nfs/dbraw/zinc/13/54/86/207135486.db2.gz ZYBQGBDIXFVIHQ-ZYSHUDEJSA-N 2 1 320.477 2.827 20 0 DFADMP C[C@@H](N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725374 296322082 /nfs/dbraw/zinc/32/20/82/296322082.db2.gz BFEBMHKJFMPCRT-BEFAXECRSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@@H]([NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725374 296322084 /nfs/dbraw/zinc/32/20/84/296322084.db2.gz BFEBMHKJFMPCRT-BEFAXECRSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@H]1CCC[NH2+]1 ZINC000422725298 296322151 /nfs/dbraw/zinc/32/21/51/296322151.db2.gz XULNZFAWVTXPPC-SCLBCKFNSA-N 2 1 323.431 2.659 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727820 296322645 /nfs/dbraw/zinc/32/26/45/296322645.db2.gz HZBSUTNMYXAPQI-WJFTUGDTSA-N 2 1 319.468 2.939 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000269002488 207158665 /nfs/dbraw/zinc/15/86/65/207158665.db2.gz PPTPAEANOSBQLH-SNRMKQJTSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CCC1 ZINC000269002488 207158669 /nfs/dbraw/zinc/15/86/69/207158669.db2.gz PPTPAEANOSBQLH-SNRMKQJTSA-N 2 1 302.462 2.648 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)C12CCOCC2 ZINC000346540735 284887915 /nfs/dbraw/zinc/88/79/15/284887915.db2.gz ZPATUXAXGGIFLB-IAGOWNOFSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000269002486 207159411 /nfs/dbraw/zinc/15/94/11/207159411.db2.gz PPTPAEANOSBQLH-IPELMVKDSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000269002486 207159413 /nfs/dbraw/zinc/15/94/13/207159413.db2.gz PPTPAEANOSBQLH-IPELMVKDSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000623656541 399436403 /nfs/dbraw/zinc/43/64/03/399436403.db2.gz WNKPQWDWXVMHEJ-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656541 399436406 /nfs/dbraw/zinc/43/64/06/399436406.db2.gz WNKPQWDWXVMHEJ-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656541 399436408 /nfs/dbraw/zinc/43/64/08/399436408.db2.gz WNKPQWDWXVMHEJ-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656541 399436410 /nfs/dbraw/zinc/43/64/10/399436410.db2.gz WNKPQWDWXVMHEJ-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656541 399436411 /nfs/dbraw/zinc/43/64/11/399436411.db2.gz WNKPQWDWXVMHEJ-HOJAQTOUSA-N 2 1 315.505 2.828 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623656810 399436874 /nfs/dbraw/zinc/43/68/74/399436874.db2.gz CGCQNHDIFSNSQV-WMZOPIPTSA-N 2 1 320.477 2.922 20 0 DFADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000269044461 207194163 /nfs/dbraw/zinc/19/41/63/207194163.db2.gz WGVUAXJEWQKHII-KUHUBIRLSA-N 2 1 318.436 2.904 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000269051818 207199792 /nfs/dbraw/zinc/19/97/92/207199792.db2.gz VWVGRGFMGWWZPX-MJGOQNOKSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000269051818 207199796 /nfs/dbraw/zinc/19/97/96/207199796.db2.gz VWVGRGFMGWWZPX-MJGOQNOKSA-N 3 1 303.494 2.828 20 0 DFADMP COC(=O)c1csc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000602487282 399460067 /nfs/dbraw/zinc/46/00/67/399460067.db2.gz YSPNBKRLFHOQIA-CQSZACIVSA-N 2 1 319.430 2.704 20 0 DFADMP COC(=O)c1csc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000602487282 399460068 /nfs/dbraw/zinc/46/00/68/399460068.db2.gz YSPNBKRLFHOQIA-CQSZACIVSA-N 2 1 319.430 2.704 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000623755989 399460710 /nfs/dbraw/zinc/46/07/10/399460710.db2.gz OSOUMUDVJBXVKB-CQSZACIVSA-N 2 1 311.832 2.742 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(F)c1 ZINC000602481595 399458192 /nfs/dbraw/zinc/45/81/92/399458192.db2.gz HBMNZADRCWJYOW-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1 ZINC000269200957 207320002 /nfs/dbraw/zinc/32/00/02/207320002.db2.gz KHDVLBGPFOCAEZ-CRAIPNDOSA-N 2 1 317.477 2.728 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@@H](C)C2)cc1)C(C)C ZINC000269212772 207331830 /nfs/dbraw/zinc/33/18/30/207331830.db2.gz OLIVTSSQNWVRHF-MAUKXSAKSA-N 2 1 317.477 2.726 20 0 DFADMP COC(=O)CCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000611409346 399471497 /nfs/dbraw/zinc/47/14/97/399471497.db2.gz NGESGVXAMKPZGK-WMZOPIPTSA-N 2 1 318.461 2.830 20 0 DFADMP COC(=O)CCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000611409346 399471499 /nfs/dbraw/zinc/47/14/99/399471499.db2.gz NGESGVXAMKPZGK-WMZOPIPTSA-N 2 1 318.461 2.830 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422740765 296324563 /nfs/dbraw/zinc/32/45/63/296324563.db2.gz NEAVPSSHOBPAGI-DKKFBQAASA-N 2 1 301.478 2.942 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000422743263 296324779 /nfs/dbraw/zinc/32/47/79/296324779.db2.gz RFESQBVCXDLTJO-GDBMZVCRSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743263 296324780 /nfs/dbraw/zinc/32/47/80/296324780.db2.gz RFESQBVCXDLTJO-GDBMZVCRSA-N 3 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000422743263 296324781 /nfs/dbraw/zinc/32/47/81/296324781.db2.gz RFESQBVCXDLTJO-GDBMZVCRSA-N 3 1 304.482 2.620 20 0 DFADMP COC[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422745899 296325381 /nfs/dbraw/zinc/32/53/81/296325381.db2.gz NAIQFPOZFJXARL-LPHOPBHVSA-N 3 1 319.493 2.556 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422751891 296326427 /nfs/dbraw/zinc/32/64/27/296326427.db2.gz DEPQUAGYJBMVEF-WMQCIHAUSA-N 2 1 323.484 2.809 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])N2CCCCC2)cc1 ZINC000422755442 296327284 /nfs/dbraw/zinc/32/72/84/296327284.db2.gz HSRVYHJGYIUCDT-QYZOEREBSA-N 2 1 317.477 2.692 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]1 ZINC000602567295 399478019 /nfs/dbraw/zinc/47/80/19/399478019.db2.gz JVWYOCZQKOCOGH-UHFFFAOYSA-N 2 1 319.449 2.688 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422769677 296329846 /nfs/dbraw/zinc/32/98/46/296329846.db2.gz VZZTUVLKLGUIAH-YXJHDRRASA-N 2 1 305.441 2.915 20 0 DFADMP C[C@@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422776514 296331054 /nfs/dbraw/zinc/33/10/54/296331054.db2.gz CTKXVWOWMXOVQS-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP COc1ccc([C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422776800 296331105 /nfs/dbraw/zinc/33/11/05/296331105.db2.gz DMSKEPSXTDHEDV-WLWJZTKJSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H](CCNC(=O)CCCCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000269257556 207398181 /nfs/dbraw/zinc/39/81/81/207398181.db2.gz KTJPXHCHQGYOCJ-KRWDZBQOSA-N 2 1 319.493 2.922 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818927 296339010 /nfs/dbraw/zinc/33/90/10/296339010.db2.gz HNEVZVRHUBEQIQ-KGLIPLIRSA-N 2 1 302.340 2.735 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(COCC(F)(F)F)cc1 ZINC000422818929 296339055 /nfs/dbraw/zinc/33/90/55/296339055.db2.gz HNEVZVRHUBEQIQ-ZIAGYGMSSA-N 2 1 302.340 2.735 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631841946 399506597 /nfs/dbraw/zinc/50/65/97/399506597.db2.gz SEFGZJIGHMAUQA-SZVBFZGTSA-N 2 1 323.440 2.893 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631841946 399506599 /nfs/dbraw/zinc/50/65/99/399506599.db2.gz SEFGZJIGHMAUQA-SZVBFZGTSA-N 2 1 323.440 2.893 20 0 DFADMP C[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)c1c[nH+]ccc1N ZINC000422818363 296339141 /nfs/dbraw/zinc/33/91/41/296339141.db2.gz KCFDLQOACDSGNJ-OAHLLOKOSA-N 2 1 321.428 2.632 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000422820848 296339238 /nfs/dbraw/zinc/33/92/38/296339238.db2.gz SOHOKRNVBPAMNH-JKSUJKDBSA-N 2 1 309.498 2.678 20 0 DFADMP CC[C@@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422820900 296339308 /nfs/dbraw/zinc/33/93/08/296339308.db2.gz SVKCMCRPSIUDTK-QZTJIDSGSA-N 2 1 307.457 2.768 20 0 DFADMP CCC[N@@H+](CC)CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422816890 296338736 /nfs/dbraw/zinc/33/87/36/296338736.db2.gz BPASBJLEQWZPEJ-RTBURBONSA-N 2 1 319.493 2.810 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422823529 296339596 /nfs/dbraw/zinc/33/95/96/296339596.db2.gz DNPBGNGMQUBMDV-WCQYABFASA-N 2 1 317.355 2.500 20 0 DFADMP CN(C)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000422826815 296340289 /nfs/dbraw/zinc/34/02/89/296340289.db2.gz CQTSZEOOWJRCSZ-QZTJIDSGSA-N 2 1 310.445 2.731 20 0 DFADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845834 399508432 /nfs/dbraw/zinc/50/84/32/399508432.db2.gz MDFKKXHYHVEARP-RHSMWYFYSA-N 2 1 321.428 2.898 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347065395 285009342 /nfs/dbraw/zinc/00/93/42/285009342.db2.gz KWLJFPQIYUIHGE-PBWFPOADSA-N 2 1 302.447 2.853 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347065395 285009344 /nfs/dbraw/zinc/00/93/44/285009344.db2.gz KWLJFPQIYUIHGE-PBWFPOADSA-N 2 1 302.447 2.853 20 0 DFADMP COc1ccc([C@@H]([NH2+]CC2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422853269 296345349 /nfs/dbraw/zinc/34/53/49/296345349.db2.gz YTNUJUBVIWIAGU-QZTJIDSGSA-N 2 1 304.434 2.505 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422862653 296346398 /nfs/dbraw/zinc/34/63/98/296346398.db2.gz NWPRHXSAXGFIND-DFNIBXOVSA-N 3 1 301.478 2.899 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422862653 296346399 /nfs/dbraw/zinc/34/63/99/296346399.db2.gz NWPRHXSAXGFIND-DFNIBXOVSA-N 2 1 301.478 2.899 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422862653 296346400 /nfs/dbraw/zinc/34/64/00/296346400.db2.gz NWPRHXSAXGFIND-DFNIBXOVSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000422862119 296346434 /nfs/dbraw/zinc/34/64/34/296346434.db2.gz NKUBCIQLQRLFFB-ZMMAXQRCSA-N 2 1 303.494 2.797 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000422863267 296346671 /nfs/dbraw/zinc/34/66/71/296346671.db2.gz RMWMXGRRTRXXJX-WFASDCNBSA-N 2 1 309.841 2.707 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422866684 296347048 /nfs/dbraw/zinc/34/70/48/296347048.db2.gz QROSBZUVTNRBJS-CHWSQXEVSA-N 2 1 317.355 2.772 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422866318 296347097 /nfs/dbraw/zinc/34/70/97/296347097.db2.gz QEGWQYJFSFOUKI-KUHUBIRLSA-N 2 1 311.429 2.693 20 0 DFADMP CC[C@@H]([NH2+]CCc1ccn(-c2ccccc2)n1)[C@@H]1CCCC[NH2+]1 ZINC000422859333 296346206 /nfs/dbraw/zinc/34/62/06/296346206.db2.gz JZFFAZKECJOTHZ-MOPGFXCFSA-N 2 1 312.461 2.925 20 0 DFADMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422859965 296346294 /nfs/dbraw/zinc/34/62/94/296346294.db2.gz KTOUVDUAEVLFKJ-BRWVUGGUSA-N 2 1 302.466 2.548 20 0 DFADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3C[NH2+]CC[C@@H]3C)cc2)n1 ZINC000422869566 296347822 /nfs/dbraw/zinc/34/78/22/296347822.db2.gz XNGUHRMHFNRXQK-LIRRHRJNSA-N 2 1 312.461 2.619 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1c[nH+]ccc1N ZINC000422869039 296347290 /nfs/dbraw/zinc/34/72/90/296347290.db2.gz VXSLKPJMMNSVLC-VXGBXAGGSA-N 2 1 318.371 2.702 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000422876987 296349136 /nfs/dbraw/zinc/34/91/36/296349136.db2.gz HCUIVISAZFEWIJ-ULQDDVLXSA-N 2 1 305.466 2.832 20 0 DFADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422883556 296350160 /nfs/dbraw/zinc/35/01/60/296350160.db2.gz CJTJALBUFKARMQ-OWCLPIDISA-N 2 1 324.852 2.595 20 0 DFADMP CC[N@@H+](CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422883665 296350205 /nfs/dbraw/zinc/35/02/05/296350205.db2.gz VIUGHIIGNPOPPT-RBUKOAKNSA-N 2 1 319.493 2.808 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422884008 296350259 /nfs/dbraw/zinc/35/02/59/296350259.db2.gz RGEGOBQEBICDOX-OAGGEKHMSA-N 3 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422891962 296351429 /nfs/dbraw/zinc/35/14/29/296351429.db2.gz WZTHCQNMJNJXHI-ZNMIVQPWSA-N 2 1 304.482 2.762 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000422891962 296351430 /nfs/dbraw/zinc/35/14/30/296351430.db2.gz WZTHCQNMJNJXHI-ZNMIVQPWSA-N 2 1 304.482 2.762 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000422892448 296351451 /nfs/dbraw/zinc/35/14/51/296351451.db2.gz YPCPPJCMZITFHB-NCOADZHNSA-N 3 1 303.494 2.858 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119675628 195015226 /nfs/dbraw/zinc/01/52/26/195015226.db2.gz MELWRVODBQREHZ-IXDOHACOSA-N 2 1 304.482 2.904 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000422899835 296352898 /nfs/dbraw/zinc/35/28/98/296352898.db2.gz IHECPJKQUJLGSC-GDBMZVCRSA-N 3 1 302.397 2.537 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000422903636 296353811 /nfs/dbraw/zinc/35/38/11/296353811.db2.gz OQICSBSHOUYMJP-DLBZAZTESA-N 3 1 319.493 2.514 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000422903636 296353812 /nfs/dbraw/zinc/35/38/12/296353812.db2.gz OQICSBSHOUYMJP-DLBZAZTESA-N 3 1 319.493 2.514 20 0 DFADMP Cc1cccc(NCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000422924106 296356071 /nfs/dbraw/zinc/35/60/71/296356071.db2.gz XQPYIRXIVWSOHT-QZTJIDSGSA-N 2 1 310.445 2.885 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1nc(-c2ccncc2)cs1 ZINC000422910953 296355081 /nfs/dbraw/zinc/35/50/81/296355081.db2.gz JPTGPJSDSUGGBZ-JSGCOSHPSA-N 2 1 302.447 2.998 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(F)c1 ZINC000422933577 296357041 /nfs/dbraw/zinc/35/70/41/296357041.db2.gz BISUSQYJXNDFCD-KBXCAEBGSA-N 2 1 302.393 2.753 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1cccc(F)c1 ZINC000422933580 296357054 /nfs/dbraw/zinc/35/70/54/296357054.db2.gz BISUSQYJXNDFCD-RDTXWAMCSA-N 2 1 302.393 2.753 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(F)c1 ZINC000422933579 296357106 /nfs/dbraw/zinc/35/71/06/296357106.db2.gz BISUSQYJXNDFCD-KSSFIOAISA-N 2 1 302.393 2.753 20 0 DFADMP C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422931553 296357189 /nfs/dbraw/zinc/35/71/89/296357189.db2.gz XULGEMFFLOGRSY-YPMHNXCESA-N 2 1 302.340 2.858 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(c2nc3ccccc3n3cncc23)C1 ZINC000624005948 399520631 /nfs/dbraw/zinc/52/06/31/399520631.db2.gz HCARVZADRJOOIS-CQSZACIVSA-N 2 1 309.417 2.661 20 0 DFADMP C[N@@H+](CCCN[C@@H]1CC[NH+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000269989977 208041235 /nfs/dbraw/zinc/04/12/35/208041235.db2.gz UNXVRGYAUKRFQB-MOPGFXCFSA-N 2 1 301.478 2.725 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000269989977 208041239 /nfs/dbraw/zinc/04/12/39/208041239.db2.gz UNXVRGYAUKRFQB-MOPGFXCFSA-N 2 1 301.478 2.725 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000269989977 208041246 /nfs/dbraw/zinc/04/12/46/208041246.db2.gz UNXVRGYAUKRFQB-MOPGFXCFSA-N 2 1 301.478 2.725 20 0 DFADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000270040937 208095461 /nfs/dbraw/zinc/09/54/61/208095461.db2.gz CHUWXPZJDGYEKX-DNVCBOLYSA-N 2 1 312.461 2.871 20 0 DFADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000270040937 208095464 /nfs/dbraw/zinc/09/54/64/208095464.db2.gz CHUWXPZJDGYEKX-DNVCBOLYSA-N 2 1 312.461 2.871 20 0 DFADMP COCCNc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422962793 296361650 /nfs/dbraw/zinc/36/16/50/296361650.db2.gz DGSAYJRKMASTDX-RBUKOAKNSA-N 2 1 311.429 2.979 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)c1c[nH+]ccc1N ZINC000422965390 296361862 /nfs/dbraw/zinc/36/18/62/296361862.db2.gz LAJPZFIBZAKUHX-YOEHRIQHSA-N 2 1 313.445 2.947 20 0 DFADMP CCC[N@H+]1CC[C@H](CN[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422976098 296363264 /nfs/dbraw/zinc/36/32/64/296363264.db2.gz UQFVVDQSCBCTMO-QRQLOZEOSA-N 3 1 301.478 2.801 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422987760 296364164 /nfs/dbraw/zinc/36/41/64/296364164.db2.gz HJSDTIHRQFLRLN-LULLPPNCSA-N 2 1 301.478 2.798 20 0 DFADMP COc1ccc(COCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422998947 296365450 /nfs/dbraw/zinc/36/54/50/296365450.db2.gz XAJRDVLVDIEQSO-RTBURBONSA-N 2 1 312.413 2.946 20 0 DFADMP CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)[C@H]1CCCC[NH2+]1 ZINC000422998628 296365639 /nfs/dbraw/zinc/36/56/39/296365639.db2.gz WMPFOMFSXICFHM-QZTJIDSGSA-N 2 1 306.450 2.722 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423008781 296366968 /nfs/dbraw/zinc/36/69/68/296366968.db2.gz AZDRLFIGCFANSG-OIISXLGYSA-N 2 1 305.441 2.915 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423008782 296366982 /nfs/dbraw/zinc/36/69/82/296366982.db2.gz AZDRLFIGCFANSG-PVAVHDDUSA-N 2 1 305.441 2.915 20 0 DFADMP COc1cc(F)cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423011270 296367473 /nfs/dbraw/zinc/36/74/73/296367473.db2.gz ATIYYETVYPFOEM-SCLBCKFNSA-N 2 1 302.393 2.882 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@@H]2CCC[C@H]21 ZINC000624055692 399538058 /nfs/dbraw/zinc/53/80/58/399538058.db2.gz MRABSRFVGYJZKO-CADBVGFASA-N 2 1 300.446 2.590 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000317144188 533050744 /nfs/dbraw/zinc/05/07/44/533050744.db2.gz FPIGCDZAUGQIOI-AWEZNQCLSA-N 2 1 310.438 2.518 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000317144188 533050748 /nfs/dbraw/zinc/05/07/48/533050748.db2.gz FPIGCDZAUGQIOI-AWEZNQCLSA-N 2 1 310.438 2.518 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423029775 296369712 /nfs/dbraw/zinc/36/97/12/296369712.db2.gz VKZJUBSGUPPTIV-OZVIIMIRSA-N 2 1 311.832 2.788 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1Cl ZINC000423037328 296370561 /nfs/dbraw/zinc/37/05/61/296370561.db2.gz MQGVZDYQSQLVJQ-USXIJHARSA-N 2 1 308.853 2.895 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423042882 296371240 /nfs/dbraw/zinc/37/12/40/296371240.db2.gz MNLNRPBCRURTDO-HSMVNMDESA-N 2 1 311.832 2.788 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN1CCCCCC1 ZINC000423045043 296371276 /nfs/dbraw/zinc/37/12/76/296371276.db2.gz BGBZAZSMRBSQAT-CABCVRRESA-N 2 1 304.482 2.764 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423050108 296372224 /nfs/dbraw/zinc/37/22/24/296372224.db2.gz KTWACAHUQMXSDD-AAEUAGOBSA-N 2 1 306.841 2.704 20 0 DFADMP C[C@@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423067124 296374567 /nfs/dbraw/zinc/37/45/67/296374567.db2.gz YNKPJQDKDIJFAV-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423064514 296373869 /nfs/dbraw/zinc/37/38/69/296373869.db2.gz RMUBOSMPAGQCLI-RFQIPJPRSA-N 2 1 308.388 2.590 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H](CN[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063737 296373892 /nfs/dbraw/zinc/37/38/92/296373892.db2.gz POBCBVKIFNWIOB-OALUTQOASA-N 2 1 301.478 2.629 20 0 DFADMP CN(Cc1ccccc1)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)C1CC1 ZINC000423063737 296373894 /nfs/dbraw/zinc/37/38/94/296373894.db2.gz POBCBVKIFNWIOB-OALUTQOASA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423066570 296374117 /nfs/dbraw/zinc/37/41/17/296374117.db2.gz XDXHBBQNLHIJDC-NSISKUIASA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423066570 296374118 /nfs/dbraw/zinc/37/41/18/296374118.db2.gz XDXHBBQNLHIJDC-NSISKUIASA-N 2 1 315.505 2.875 20 0 DFADMP CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423079881 296376154 /nfs/dbraw/zinc/37/61/54/296376154.db2.gz RJMUJMRYHDOZOH-WNHJNPCNSA-N 2 1 304.478 2.736 20 0 DFADMP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423079986 296376021 /nfs/dbraw/zinc/37/60/21/296376021.db2.gz ZBGHEZQDXRRMJE-GUDVDZBRSA-N 2 1 317.477 2.755 20 0 DFADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423091670 296376977 /nfs/dbraw/zinc/37/69/77/296376977.db2.gz YDCKAHKDKDUUTJ-WJFTUGDTSA-N 2 1 318.461 2.511 20 0 DFADMP C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423089821 296377198 /nfs/dbraw/zinc/37/71/98/296377198.db2.gz WCWHXBCZNOWNRV-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000616994077 399557969 /nfs/dbraw/zinc/55/79/69/399557969.db2.gz UDZCWIUGYPZMCF-SJORKVTESA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000624119718 399558907 /nfs/dbraw/zinc/55/89/07/399558907.db2.gz HZKHECUYCYRDQE-GJZGRUSLSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624119545 399559304 /nfs/dbraw/zinc/55/93/04/399559304.db2.gz DSWHZQHYTZPDTI-WBVHZDCISA-N 2 1 320.477 2.956 20 0 DFADMP CNC(=O)C[C@H]([NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000423105303 296378854 /nfs/dbraw/zinc/37/88/54/296378854.db2.gz YYWXGNRXRRBZLJ-SZMVWBNQSA-N 2 1 317.477 2.764 20 0 DFADMP C[N@H+]1CCCC[C@H](CN[C@@H](c2ccccc2)c2cncnc2)C1 ZINC000624122702 399559806 /nfs/dbraw/zinc/55/98/06/399559806.db2.gz ZAZRCPKRHKSNJQ-APWZRJJASA-N 2 1 310.445 2.888 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121590 399559833 /nfs/dbraw/zinc/55/98/33/399559833.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+]1CCCC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000624121590 399559840 /nfs/dbraw/zinc/55/98/40/399559840.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCCC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000624121590 399559846 /nfs/dbraw/zinc/55/98/46/399559846.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+]1CCCC[C@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000624121590 399559852 /nfs/dbraw/zinc/55/98/52/399559852.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+]1CCCC[C@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000624121590 399559857 /nfs/dbraw/zinc/55/98/57/399559857.db2.gz YIKCDMBAHCWSBK-UXHICEINSA-N 2 1 315.505 2.973 20 0 DFADMP CNC(=O)C[C@H]([NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1)c1ccccc1 ZINC000423105301 296379011 /nfs/dbraw/zinc/37/90/11/296379011.db2.gz YYWXGNRXRRBZLJ-NJAFHUGGSA-N 2 1 317.477 2.764 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H](C)C[C@@H](C)[NH3+] ZINC000423110227 296379677 /nfs/dbraw/zinc/37/96/77/296379677.db2.gz OXNIRGICLDVZRU-ZJUUUORDSA-N 2 1 306.328 2.809 20 0 DFADMP CCC[N@@H+](C)[C@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111777 296379754 /nfs/dbraw/zinc/37/97/54/296379754.db2.gz WNNZFXHTOBZMNC-SUMWQHHRSA-N 2 1 309.885 2.920 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120368 399561164 /nfs/dbraw/zinc/56/11/64/399561164.db2.gz XJSQJNSLRLFLSY-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000423121158 296381264 /nfs/dbraw/zinc/38/12/64/296381264.db2.gz IAROMUMMZOARHZ-ZTFGCOKTSA-N 2 1 300.446 2.811 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000423126232 296381734 /nfs/dbraw/zinc/38/17/34/296381734.db2.gz OOVFZEIOXQNQKA-GJZGRUSLSA-N 2 1 305.466 2.984 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000347715802 285143035 /nfs/dbraw/zinc/14/30/35/285143035.db2.gz GWPUFAGAHZKALX-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000347715802 285143038 /nfs/dbraw/zinc/14/30/38/285143038.db2.gz GWPUFAGAHZKALX-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000347715802 285143039 /nfs/dbraw/zinc/14/30/39/285143039.db2.gz GWPUFAGAHZKALX-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000347715802 285143042 /nfs/dbraw/zinc/14/30/42/285143042.db2.gz GWPUFAGAHZKALX-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000347715802 285143043 /nfs/dbraw/zinc/14/30/43/285143043.db2.gz GWPUFAGAHZKALX-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000423140595 296383706 /nfs/dbraw/zinc/38/37/06/296383706.db2.gz MTVAADHMKIEGKA-CQSZACIVSA-N 2 1 315.417 2.508 20 0 DFADMP CSc1ccc([C@H](CN[C@H](C)[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423147636 296384982 /nfs/dbraw/zinc/38/49/82/296384982.db2.gz SLWGFOFHFIALKI-KMFMINBZSA-N 2 1 307.507 2.599 20 0 DFADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423144663 296384283 /nfs/dbraw/zinc/38/42/83/296384283.db2.gz HPXWLDBHCBVAFC-SVGFKBNWSA-N 2 1 318.486 2.623 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423144012 296384415 /nfs/dbraw/zinc/38/44/15/296384415.db2.gz FXCGRYHEYWIXPB-PVAVHDDUSA-N 2 1 307.507 2.728 20 0 DFADMP C[C@H]([NH2+]Cc1c(Cl)cccc1-n1ccnc1)[C@H]1CC[NH2+]C1 ZINC000423146794 296384580 /nfs/dbraw/zinc/38/45/80/296384580.db2.gz QKPXPGFIOYGKIR-STQMWFEESA-N 2 1 304.825 2.613 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423146133 296384803 /nfs/dbraw/zinc/38/48/03/296384803.db2.gz ODCVQTSBTYZCJE-VBSBHUPXSA-N 2 1 314.473 2.853 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@H]1CCN[C@H](c2ccccc2)C1)C1CC1 ZINC000423161882 296386879 /nfs/dbraw/zinc/38/68/79/296386879.db2.gz JXEGSQCZSBURJI-HKUYNNGSSA-N 2 1 301.478 2.944 20 0 DFADMP C[N@H+](CCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC1 ZINC000423161882 296386880 /nfs/dbraw/zinc/38/68/80/296386880.db2.gz JXEGSQCZSBURJI-HKUYNNGSSA-N 3 1 301.478 2.944 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CC1 ZINC000423161882 296386881 /nfs/dbraw/zinc/38/68/81/296386881.db2.gz JXEGSQCZSBURJI-HKUYNNGSSA-N 3 1 301.478 2.944 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)C1CCCCC1 ZINC000617010191 399570382 /nfs/dbraw/zinc/57/03/82/399570382.db2.gz KNLWIRVJPRLZLP-INIZCTEOSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](CCC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)C1CCCCC1 ZINC000617010191 399570391 /nfs/dbraw/zinc/57/03/91/399570391.db2.gz KNLWIRVJPRLZLP-INIZCTEOSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](CCC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)C1CCCCC1 ZINC000617010191 399570398 /nfs/dbraw/zinc/57/03/98/399570398.db2.gz KNLWIRVJPRLZLP-INIZCTEOSA-N 2 1 309.498 2.630 20 0 DFADMP CSCC1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423158302 296386560 /nfs/dbraw/zinc/38/65/60/296386560.db2.gz NVWFZJQPNFPLEA-ZKLCHKPXSA-N 2 1 312.523 2.655 20 0 DFADMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1C ZINC000423179820 296388835 /nfs/dbraw/zinc/38/88/35/296388835.db2.gz AGFSZCWBNXRVEG-CQSZACIVSA-N 2 1 315.465 2.745 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423188316 296389961 /nfs/dbraw/zinc/38/99/61/296389961.db2.gz LODFVJHFLRMHNH-ZRNYENFQSA-N 3 1 313.489 2.771 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C[C@@H]1OC ZINC000423186599 296390049 /nfs/dbraw/zinc/39/00/49/296390049.db2.gz LDBQTNAWHJVCDD-SJORKVTESA-N 2 1 305.466 2.745 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)CCn2cccn2)c1 ZINC000157738312 197211834 /nfs/dbraw/zinc/21/18/34/197211834.db2.gz YRUFKCGIXLBTFH-INIZCTEOSA-N 2 1 300.450 2.903 20 0 DFADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CC1([NH3+])CCCCC1 ZINC000423185701 296389773 /nfs/dbraw/zinc/38/97/73/296389773.db2.gz VRFHWSDXHXPQCW-CQSZACIVSA-N 2 1 320.433 2.551 20 0 DFADMP C[NH2+]CCC[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423201295 296391821 /nfs/dbraw/zinc/39/18/21/296391821.db2.gz OLSYUCXBOMUOAU-ZDUSSCGKSA-N 2 1 301.203 2.775 20 0 DFADMP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC[NH3+] ZINC000423195765 296391168 /nfs/dbraw/zinc/39/11/68/296391168.db2.gz ZXXRUBDVUYQPMV-QMMMGPOBSA-N 2 1 323.746 2.624 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423209657 296392735 /nfs/dbraw/zinc/39/27/35/296392735.db2.gz JBZVVEQMJOPWIG-ZFWWWQNUSA-N 2 1 316.424 2.970 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423210976 296392819 /nfs/dbraw/zinc/39/28/19/296392819.db2.gz KJISWYOGAVINEH-WFASDCNBSA-N 2 1 316.367 2.982 20 0 DFADMP C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423228361 296394835 /nfs/dbraw/zinc/39/48/35/296394835.db2.gz ZGPODXPLBZQUMT-WZGPROSRSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423228361 296394837 /nfs/dbraw/zinc/39/48/37/296394837.db2.gz ZGPODXPLBZQUMT-WZGPROSRSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423228361 296394838 /nfs/dbraw/zinc/39/48/38/296394838.db2.gz ZGPODXPLBZQUMT-WZGPROSRSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000423221411 296394121 /nfs/dbraw/zinc/39/41/21/296394121.db2.gz ZTNHFGLDGLXMIN-STQMWFEESA-N 2 1 319.840 2.571 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000347805854 285182869 /nfs/dbraw/zinc/18/28/69/285182869.db2.gz CWHUDYNKEPVGKB-HOTGVXAUSA-N 2 1 311.514 2.589 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000347805853 285183087 /nfs/dbraw/zinc/18/30/87/285183087.db2.gz CWHUDYNKEPVGKB-CVEARBPZSA-N 2 1 311.514 2.589 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH+](C)Cc1ccccc1)C(C)C ZINC000347807027 285183664 /nfs/dbraw/zinc/18/36/64/285183664.db2.gz NBOMHBCZOWUPRK-GOSISDBHSA-N 2 1 319.493 2.601 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000347807027 285183668 /nfs/dbraw/zinc/18/36/68/285183668.db2.gz NBOMHBCZOWUPRK-GOSISDBHSA-N 2 1 319.493 2.601 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000347807027 285183671 /nfs/dbraw/zinc/18/36/71/285183671.db2.gz NBOMHBCZOWUPRK-GOSISDBHSA-N 2 1 319.493 2.601 20 0 DFADMP CO[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563562 399587897 /nfs/dbraw/zinc/58/78/97/399587897.db2.gz SZCHENSCTFIJBK-ZWKOTPCHSA-N 2 1 324.440 2.556 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563562 399587899 /nfs/dbraw/zinc/58/78/99/399587899.db2.gz SZCHENSCTFIJBK-ZWKOTPCHSA-N 2 1 324.440 2.556 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000629387542 399589728 /nfs/dbraw/zinc/58/97/28/399589728.db2.gz GBFDPBVQMKSKAL-OQIJWPOYSA-N 2 1 301.478 2.770 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)CCOCC1 ZINC000629388628 399590991 /nfs/dbraw/zinc/59/09/91/399590991.db2.gz UXJXJMBKPKMJNW-UHFFFAOYSA-N 2 1 322.758 2.956 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)c(C)c1OC ZINC000423260436 296397663 /nfs/dbraw/zinc/39/76/63/296397663.db2.gz HLMYLBUXKJDOTQ-CJNGLKHVSA-N 2 1 308.466 2.906 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c1OC ZINC000423260438 296397703 /nfs/dbraw/zinc/39/77/03/296397703.db2.gz HLMYLBUXKJDOTQ-XJKSGUPXSA-N 2 1 308.466 2.906 20 0 DFADMP CC(C)([NH3+])C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423288426 296401262 /nfs/dbraw/zinc/40/12/62/296401262.db2.gz SAUWVROMNLXAHH-LLVKDONJSA-N 2 1 301.203 2.902 20 0 DFADMP C[C@@H](NC[C@]1(C)CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423323025 296404382 /nfs/dbraw/zinc/40/43/82/296404382.db2.gz HXMPDYWSISQFGB-VQIMIIECSA-N 2 1 319.493 2.667 20 0 DFADMP Cc1ccncc1CCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000347874658 285219591 /nfs/dbraw/zinc/21/95/91/285219591.db2.gz JQHZPUFQSQFJSM-GOSISDBHSA-N 2 1 301.478 2.986 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000347874658 285219594 /nfs/dbraw/zinc/21/95/94/285219594.db2.gz JQHZPUFQSQFJSM-GOSISDBHSA-N 2 1 301.478 2.986 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000347874658 285219596 /nfs/dbraw/zinc/21/95/96/285219596.db2.gz JQHZPUFQSQFJSM-GOSISDBHSA-N 2 1 301.478 2.986 20 0 DFADMP Cn1cc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000423382086 296411051 /nfs/dbraw/zinc/41/10/51/296411051.db2.gz JTIGNZDIBNZVFS-YESZJQIVSA-N 2 1 302.397 2.508 20 0 DFADMP CC(C)(C)[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1cc2ccccc2o1 ZINC000423401632 296412780 /nfs/dbraw/zinc/41/27/80/296412780.db2.gz GJFDOEBDBLAHMI-GRDNDAEWSA-N 2 1 302.418 2.690 20 0 DFADMP COC[C@@]1(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CCC[NH2+]1 ZINC000423423394 296415116 /nfs/dbraw/zinc/41/51/16/296415116.db2.gz ZLQKJIYPKVKCSR-MSOLQXFVSA-N 2 1 306.450 2.751 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)CC1(SC)CCC1 ZINC000356313423 285250029 /nfs/dbraw/zinc/25/00/29/285250029.db2.gz YRQVZSNXHVYBDA-MRXNPFEDSA-N 2 1 313.555 2.620 20 0 DFADMP COc1ccc([C@H](Cc2ccccc2)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000423433115 296416210 /nfs/dbraw/zinc/41/62/10/296416210.db2.gz PEDOVXUOJLYFGP-ZGXWSNOMSA-N 2 1 308.425 2.786 20 0 DFADMP C[NH+]1CCC2(CC[N@H+]([C@@H](C(=O)OC(C)(C)C)C3CC3)C2)CC1 ZINC000602877955 399612203 /nfs/dbraw/zinc/61/22/03/399612203.db2.gz MMIUQXLPGSKCAB-OAHLLOKOSA-N 2 1 308.466 2.524 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C12CCCC2 ZINC000423467362 296418888 /nfs/dbraw/zinc/41/88/88/296418888.db2.gz DTEGRCLCKDDVKJ-BFHYXJOUSA-N 2 1 302.409 2.559 20 0 DFADMP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000120399155 195157596 /nfs/dbraw/zinc/15/75/96/195157596.db2.gz KPBXEULTHWITHU-HZPDHXFCSA-N 2 1 322.449 2.640 20 0 DFADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423496774 296422176 /nfs/dbraw/zinc/42/21/76/296422176.db2.gz XQDGFWRUCYPPIV-KDOFPFPSSA-N 2 1 313.445 2.822 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(c1ccccc1)c1ccccc1 ZINC000423505757 296423640 /nfs/dbraw/zinc/42/36/40/296423640.db2.gz GQBBIHZGKXZJFG-XLIONFOSSA-N 2 1 323.484 2.700 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C(c1ccccc1)c1ccccc1 ZINC000423505755 296423563 /nfs/dbraw/zinc/42/35/63/296423563.db2.gz GQBBIHZGKXZJFG-PXNSSMCTSA-N 2 1 323.484 2.700 20 0 DFADMP COc1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1OC(F)F ZINC000120659468 195210561 /nfs/dbraw/zinc/21/05/61/195210561.db2.gz PJYKKHIAAQCCTK-CYBMUJFWSA-N 2 1 314.376 2.680 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC(F)F ZINC000120659468 195210563 /nfs/dbraw/zinc/21/05/63/195210563.db2.gz PJYKKHIAAQCCTK-CYBMUJFWSA-N 2 1 314.376 2.680 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1OC(F)F ZINC000120659468 195210566 /nfs/dbraw/zinc/21/05/66/195210566.db2.gz PJYKKHIAAQCCTK-CYBMUJFWSA-N 2 1 314.376 2.680 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624257721 399618007 /nfs/dbraw/zinc/61/80/07/399618007.db2.gz NXWCKUXPJAKCBR-CRAIPNDOSA-N 2 1 311.429 2.787 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)s1 ZINC000299722470 285281022 /nfs/dbraw/zinc/28/10/22/285281022.db2.gz NPRIXZURIKUAAN-HNNXBMFYSA-N 2 1 323.506 2.545 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[C@@H](C)C1 ZINC000271576721 209027292 /nfs/dbraw/zinc/02/72/92/209027292.db2.gz WMILDRSYZXHZBE-UVBJJODRSA-N 2 1 314.832 2.832 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CCC2CCCCCC2)C1 ZINC000348019019 285301445 /nfs/dbraw/zinc/30/14/45/285301445.db2.gz OXNMZMHMBICEON-KRWDZBQOSA-N 2 1 309.498 2.524 20 0 DFADMP CC1(C)CCC(C)(C)[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000625723525 399622864 /nfs/dbraw/zinc/62/28/64/399622864.db2.gz RQYMSPOCHKEGAP-UHFFFAOYSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)c1ccc(Br)nc1 ZINC000289665976 221141025 /nfs/dbraw/zinc/14/10/25/221141025.db2.gz IXNXSLYBYQYCTN-GFCCVEGCSA-N 2 1 312.255 2.981 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000289669711 221142915 /nfs/dbraw/zinc/14/29/15/221142915.db2.gz IVMIFPHMTKVVQO-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000289669711 221142916 /nfs/dbraw/zinc/14/29/16/221142916.db2.gz IVMIFPHMTKVVQO-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1cnn(C)c1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000289714051 221173361 /nfs/dbraw/zinc/17/33/61/221173361.db2.gz OCXQKCWDWGUGCD-HNNXBMFYSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1cnn(C)c1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000289714051 221173365 /nfs/dbraw/zinc/17/33/65/221173365.db2.gz OCXQKCWDWGUGCD-HNNXBMFYSA-N 2 1 313.449 2.559 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000629520322 399633880 /nfs/dbraw/zinc/63/38/80/399633880.db2.gz GHOHCWLSWVONKC-HNNXBMFYSA-N 2 1 311.429 2.907 20 0 DFADMP COc1ccc2oc([C@H](C)[NH2+]CC3([NH3+])CCOCC3)c(C)c2c1 ZINC000629521381 399634117 /nfs/dbraw/zinc/63/41/17/399634117.db2.gz OGFRIRRMXRIZAV-ZDUSSCGKSA-N 2 1 318.417 2.908 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000629520263 399634183 /nfs/dbraw/zinc/63/41/83/399634183.db2.gz DWMJIVJNGQVWMF-NSHDSACASA-N 2 1 318.339 2.744 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])CCOCC1)CCCS2 ZINC000629521062 399634252 /nfs/dbraw/zinc/63/42/52/399634252.db2.gz OAJSTVFFNPJRCR-OAHLLOKOSA-N 2 1 322.474 2.720 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000629521872 399634782 /nfs/dbraw/zinc/63/47/82/399634782.db2.gz XDUPCOZPGAUTTH-UHFFFAOYSA-N 2 1 312.255 2.666 20 0 DFADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3ccc(Cl)cc32)CCOCC1 ZINC000629521831 399634816 /nfs/dbraw/zinc/63/48/16/399634816.db2.gz SGCPADFIMLCVRA-CYBMUJFWSA-N 2 1 312.866 2.974 20 0 DFADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2n[nH]cc2C)cc1 ZINC000289867709 221279467 /nfs/dbraw/zinc/27/94/67/221279467.db2.gz LOKNUWOYFPKCRC-UHFFFAOYSA-N 2 1 316.449 2.729 20 0 DFADMP CC(C)COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629524156 399635357 /nfs/dbraw/zinc/63/53/57/399635357.db2.gz MOYSFVJPLLEKRQ-HNNXBMFYSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC000289892304 221298009 /nfs/dbraw/zinc/29/80/09/221298009.db2.gz SLSLVLCPOQLLRA-KRWDZBQOSA-N 2 1 320.477 2.751 20 0 DFADMP COc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C(C)(C)C)cc1 ZINC000289892304 221298012 /nfs/dbraw/zinc/29/80/12/221298012.db2.gz SLSLVLCPOQLLRA-KRWDZBQOSA-N 2 1 320.477 2.751 20 0 DFADMP COc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C(C)(C)C)cc1 ZINC000289892304 221298013 /nfs/dbraw/zinc/29/80/13/221298013.db2.gz SLSLVLCPOQLLRA-KRWDZBQOSA-N 2 1 320.477 2.751 20 0 DFADMP COc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C(C)(C)C)cc1 ZINC000289892304 221298016 /nfs/dbraw/zinc/29/80/16/221298016.db2.gz SLSLVLCPOQLLRA-KRWDZBQOSA-N 2 1 320.477 2.751 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000629526476 399636205 /nfs/dbraw/zinc/63/62/05/399636205.db2.gz WBOJCXPSOUSXQE-MNCVFJLESA-N 2 1 313.445 2.549 20 0 DFADMP Brc1cnccc1C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000629532268 399638009 /nfs/dbraw/zinc/63/80/09/399638009.db2.gz SVQFYIRBPHBFIW-CYBMUJFWSA-N 2 1 324.266 2.666 20 0 DFADMP Brc1cnccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000629533235 399638067 /nfs/dbraw/zinc/63/80/67/399638067.db2.gz OMFWLDQZKRQPNW-STQMWFEESA-N 2 1 324.266 2.666 20 0 DFADMP Brc1cnccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000629533232 399638074 /nfs/dbraw/zinc/63/80/74/399638074.db2.gz OMFWLDQZKRQPNW-CHWSQXEVSA-N 2 1 324.266 2.666 20 0 DFADMP C[C@@H]1CC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]1 ZINC000629543367 399641324 /nfs/dbraw/zinc/64/13/24/399641324.db2.gz ZPIJLMAAJAMMDS-JUSBFGHESA-N 2 1 313.489 2.912 20 0 DFADMP FC(F)(F)Oc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000624357917 399653421 /nfs/dbraw/zinc/65/34/21/399653421.db2.gz NRHVPAGUIBKRCS-GFCCVEGCSA-N 2 1 311.307 2.886 20 0 DFADMP c1cc(C[N@@H+]2CCc3nc(C4CC4)ncc3C2)c2c(c1)C[NH2+]CC2 ZINC000629576955 399653479 /nfs/dbraw/zinc/65/34/79/399653479.db2.gz XHCTXVOVDAXXGI-UHFFFAOYSA-N 2 1 320.440 2.558 20 0 DFADMP c1cc(C[N@H+]2CCc3nc(C4CC4)ncc3C2)c2c(c1)C[NH2+]CC2 ZINC000629576955 399653480 /nfs/dbraw/zinc/65/34/80/399653480.db2.gz XHCTXVOVDAXXGI-UHFFFAOYSA-N 2 1 320.440 2.558 20 0 DFADMP C/C=C/C[C@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595241 399658687 /nfs/dbraw/zinc/65/86/87/399658687.db2.gz LLHQKNCPLQVKMA-USRGSRNISA-N 2 1 302.462 2.596 20 0 DFADMP OCc1ccc(F)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000629544623 399642760 /nfs/dbraw/zinc/64/27/60/399642760.db2.gz JRGUAWRWQXMUHO-MRXNPFEDSA-N 2 1 306.425 2.530 20 0 DFADMP C[C@@H]1C[C@@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000629547325 399643991 /nfs/dbraw/zinc/64/39/91/399643991.db2.gz MJARIHGHPOVKNA-CZUORRHYSA-N 2 1 302.466 2.712 20 0 DFADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1C ZINC000629549929 399645027 /nfs/dbraw/zinc/64/50/27/399645027.db2.gz XOCDVYYCSNXNSO-DOTOQJQBSA-N 2 1 313.449 2.589 20 0 DFADMP C[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc(C2CC2)c1 ZINC000629550127 399645421 /nfs/dbraw/zinc/64/54/21/399645421.db2.gz MPFRHVSZUWYHEA-FZKQIMNGSA-N 2 1 311.433 2.541 20 0 DFADMP CN(CC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629561363 399650265 /nfs/dbraw/zinc/65/02/65/399650265.db2.gz HVZBFAQCEHDLIQ-ZFWWWQNUSA-N 2 1 315.383 2.582 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000629655387 399677611 /nfs/dbraw/zinc/67/76/11/399677611.db2.gz KFLGPOOSHTZXHE-UONOGXRCSA-N 2 1 314.351 2.581 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@H]1C(F)(F)F ZINC000629655387 399677614 /nfs/dbraw/zinc/67/76/14/399677614.db2.gz KFLGPOOSHTZXHE-UONOGXRCSA-N 2 1 314.351 2.581 20 0 DFADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629657024 399678976 /nfs/dbraw/zinc/67/89/76/399678976.db2.gz SSPABLJGQUCXHC-HUUCEWRRSA-N 3 1 315.383 2.782 20 0 DFADMP Cc1ccc(CCCN2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cn1 ZINC000629657024 399678982 /nfs/dbraw/zinc/67/89/82/399678982.db2.gz SSPABLJGQUCXHC-HUUCEWRRSA-N 3 1 315.383 2.782 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(-c2ccccc2F)s1 ZINC000629665528 399681691 /nfs/dbraw/zinc/68/16/91/399681691.db2.gz WEAWYHABTHFMIB-UHFFFAOYSA-N 2 1 308.422 2.961 20 0 DFADMP Cc1noc([C@@H](C)N2CC[C@H](CNc3cccc(C)n3)C2)n1 ZINC000624484671 399685858 /nfs/dbraw/zinc/68/58/58/399685858.db2.gz RXZYPBQMWRBHNU-TZMCWYRMSA-N 2 1 301.394 2.576 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)c1ccccc1 ZINC000617351787 399675200 /nfs/dbraw/zinc/67/52/00/399675200.db2.gz PKLSVADIWOOJRS-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)c1ccccc1 ZINC000617351787 399675204 /nfs/dbraw/zinc/67/52/04/399675204.db2.gz PKLSVADIWOOJRS-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351787 399675208 /nfs/dbraw/zinc/67/52/08/399675208.db2.gz PKLSVADIWOOJRS-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351787 399675213 /nfs/dbraw/zinc/67/52/13/399675213.db2.gz PKLSVADIWOOJRS-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)CCCc1c(F)cccc1Cl ZINC000629654383 399676296 /nfs/dbraw/zinc/67/62/96/399676296.db2.gz QIMDKTYZZWPAFG-UHFFFAOYSA-N 2 1 302.821 2.580 20 0 DFADMP C[N@@H+](Cc1cccc(-c2ccc(N3CC[NH2+]CC3)nc2)c1)C1CC1 ZINC000629709345 399697269 /nfs/dbraw/zinc/69/72/69/399697269.db2.gz ZARXNHXFHCQBCJ-UHFFFAOYSA-N 2 1 322.456 2.752 20 0 DFADMP C[C@H]1CC(F)(F)CCN1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000625979725 399708315 /nfs/dbraw/zinc/70/83/15/399708315.db2.gz SQMPBXNRFTWNSR-GOEBONIOSA-N 2 1 312.404 2.599 20 0 DFADMP C[C@H]1CC(F)(F)CC[N@@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000625979725 399708320 /nfs/dbraw/zinc/70/83/20/399708320.db2.gz SQMPBXNRFTWNSR-GOEBONIOSA-N 2 1 312.404 2.599 20 0 DFADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000625979725 399708321 /nfs/dbraw/zinc/70/83/21/399708321.db2.gz SQMPBXNRFTWNSR-GOEBONIOSA-N 2 1 312.404 2.599 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cnc(C)s2)CC1 ZINC000090402652 542535706 /nfs/dbraw/zinc/53/57/06/542535706.db2.gz SJFPHRSVRQLZAY-CQSZACIVSA-N 2 1 310.511 2.520 20 0 DFADMP CC1=CC[C@](C)(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617502567 399718867 /nfs/dbraw/zinc/71/88/67/399718867.db2.gz UVWREVPMBXJLCW-WMZOPIPTSA-N 2 1 309.498 2.511 20 0 DFADMP CC1=CC[C@](C)(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617502567 399718870 /nfs/dbraw/zinc/71/88/70/399718870.db2.gz UVWREVPMBXJLCW-WMZOPIPTSA-N 2 1 309.498 2.511 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000295039858 224396938 /nfs/dbraw/zinc/39/69/38/224396938.db2.gz MNVXLULSBYGWQB-SWBPCFCJSA-N 2 1 314.473 2.648 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000617504535 399719962 /nfs/dbraw/zinc/71/99/62/399719962.db2.gz ZZWMOBOBKNGGDO-FUHWJXTLSA-N 2 1 319.493 2.568 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000617504535 399719968 /nfs/dbraw/zinc/71/99/68/399719968.db2.gz ZZWMOBOBKNGGDO-FUHWJXTLSA-N 2 1 319.493 2.568 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000367595796 285337359 /nfs/dbraw/zinc/33/73/59/285337359.db2.gz YHZIAJKSOROCHB-RBUKOAKNSA-N 2 1 300.446 2.641 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000348110502 285355700 /nfs/dbraw/zinc/35/57/00/285355700.db2.gz MYFMDAVFEAGKLB-YDZRNGNQSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000348110502 285355701 /nfs/dbraw/zinc/35/57/01/285355701.db2.gz MYFMDAVFEAGKLB-YDZRNGNQSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348115503 285359129 /nfs/dbraw/zinc/35/91/29/285359129.db2.gz HVPPBCLFNLSXPJ-MGPQQGTHSA-N 2 1 308.388 2.806 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000121812415 195352958 /nfs/dbraw/zinc/35/29/58/195352958.db2.gz LDRKAWQEKBABQI-HNNXBMFYSA-N 2 1 322.522 2.742 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348126883 285368098 /nfs/dbraw/zinc/36/80/98/285368098.db2.gz QIOWXTZDWFJKON-RTXFEEFZSA-N 2 1 305.344 2.527 20 0 DFADMP O[C@H]1c2ccccc2C[C@@H]1[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000367595795 285372045 /nfs/dbraw/zinc/37/20/45/285372045.db2.gz YHZIAJKSOROCHB-OALUTQOASA-N 2 1 300.446 2.641 20 0 DFADMP O[C@H]1c2ccccc2C[C@@H]1[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182792170 285372696 /nfs/dbraw/zinc/37/26/96/285372696.db2.gz NLFRKBZUGZCLMC-WDSOQIARSA-N 2 1 300.446 2.595 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)N(C)C(C)C ZINC000626062299 399741517 /nfs/dbraw/zinc/74/15/17/399741517.db2.gz OFLUYWUKZSOKJB-INIZCTEOSA-N 2 1 319.493 2.825 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NC(C)(C)C ZINC000626062635 399741909 /nfs/dbraw/zinc/74/19/09/399741909.db2.gz ZSTMGQSIXKHGID-HNNXBMFYSA-N 2 1 319.493 2.873 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C3CC3)C[C@H](C)C2)c1C ZINC000296747669 533411661 /nfs/dbraw/zinc/41/16/61/533411661.db2.gz PLRCLNAGMGHCGO-CYBMUJFWSA-N 2 1 303.450 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C3CC3)C[C@H](C)C2)c1C ZINC000296747669 533411666 /nfs/dbraw/zinc/41/16/66/533411666.db2.gz PLRCLNAGMGHCGO-CYBMUJFWSA-N 2 1 303.450 2.623 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(F)c(CN(C)C)c1)C1CC[NH+](C)CC1 ZINC000120982037 542581805 /nfs/dbraw/zinc/58/18/05/542581805.db2.gz PHXPBLMVFWBWJS-AWEZNQCLSA-N 2 1 307.457 2.707 20 0 DFADMP CCOc1cncc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1 ZINC000621340180 399759124 /nfs/dbraw/zinc/75/91/24/399759124.db2.gz ZRJAWJJHKOPFDT-UHFFFAOYSA-N 2 1 303.450 2.977 20 0 DFADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[N@@H+](C)C1CCC1 ZINC000629956973 399769215 /nfs/dbraw/zinc/76/92/15/399769215.db2.gz OSOFEKFYAWAZTD-UHFFFAOYSA-N 2 1 317.477 2.581 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000154314237 542687995 /nfs/dbraw/zinc/68/79/95/542687995.db2.gz PXULFZHYQAKZIY-RTBURBONSA-N 2 1 304.478 2.690 20 0 DFADMP CN(C)c1nccc2cc(NC(=O)C[N@@H+](C)C3CCC3)ccc21 ZINC000629996585 399787187 /nfs/dbraw/zinc/78/71/87/399787187.db2.gz WSZDNZPAYSKWHF-UHFFFAOYSA-N 2 1 312.417 2.724 20 0 DFADMP CN(C)c1nccc2cc(NC(=O)CN(C)C3CCC3)ccc21 ZINC000629996585 399787192 /nfs/dbraw/zinc/78/71/92/399787192.db2.gz WSZDNZPAYSKWHF-UHFFFAOYSA-N 2 1 312.417 2.724 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000165984833 542749767 /nfs/dbraw/zinc/74/97/67/542749767.db2.gz ZWVREICJEOJFQJ-DLBZAZTESA-N 2 1 312.461 2.951 20 0 DFADMP c1ccc(CCOCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166234939 542749826 /nfs/dbraw/zinc/74/98/26/542749826.db2.gz ZKGXFBCVNYCIGR-RBUKOAKNSA-N 2 1 302.462 2.852 20 0 DFADMP c1sc(N2CCCC2)nc1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166637060 542750977 /nfs/dbraw/zinc/75/09/77/542750977.db2.gz HWWUUINHZCMLOK-GDBMZVCRSA-N 2 1 320.506 2.502 20 0 DFADMP COc1ccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000166325780 542751031 /nfs/dbraw/zinc/75/10/31/542751031.db2.gz LIZDMCSWEQLGCI-DLBZAZTESA-N 2 1 318.461 2.853 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+]2CCCC2)o1 ZINC000166435919 542751639 /nfs/dbraw/zinc/75/16/39/542751639.db2.gz XBCXBJWYHXWZIL-KURKYZTESA-N 2 1 317.477 2.941 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146971 542987014 /nfs/dbraw/zinc/98/70/14/542987014.db2.gz PZRDBPIOYLCVKJ-XJKSGUPXSA-N 2 1 304.434 2.623 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCCC1 ZINC000289333064 543007093 /nfs/dbraw/zinc/00/70/93/543007093.db2.gz VWPIAPFMTFFEKP-RDTXWAMCSA-N 2 1 313.445 2.592 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)oc1C ZINC000292755745 543016571 /nfs/dbraw/zinc/01/65/71/543016571.db2.gz XFIRQKHNXBNBRD-DUVNUKRYSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)oc1C ZINC000292755745 543016572 /nfs/dbraw/zinc/01/65/72/543016572.db2.gz XFIRQKHNXBNBRD-DUVNUKRYSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)oc1C ZINC000292755745 543016573 /nfs/dbraw/zinc/01/65/73/543016573.db2.gz XFIRQKHNXBNBRD-DUVNUKRYSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)oc1C ZINC000292755745 543016574 /nfs/dbraw/zinc/01/65/74/543016574.db2.gz XFIRQKHNXBNBRD-DUVNUKRYSA-N 2 1 320.433 2.852 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1C ZINC000293004448 543018352 /nfs/dbraw/zinc/01/83/52/543018352.db2.gz PDOKZTHWUVXNMO-SFHVURJKSA-N 2 1 303.450 2.625 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000293004448 543018358 /nfs/dbraw/zinc/01/83/58/543018358.db2.gz PDOKZTHWUVXNMO-SFHVURJKSA-N 2 1 303.450 2.625 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H](C)C1 ZINC000293774013 543022117 /nfs/dbraw/zinc/02/21/17/543022117.db2.gz SKJKDWJGPQGKJM-JSGCOSHPSA-N 2 1 315.383 2.963 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)C1CC[NH+](C)CC1 ZINC000302864595 543049020 /nfs/dbraw/zinc/04/90/20/543049020.db2.gz LYXPWDCHKZKWDN-KRWDZBQOSA-N 3 1 315.505 2.971 20 0 DFADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC1CCOCC1 ZINC000625137304 399851780 /nfs/dbraw/zinc/85/17/80/399851780.db2.gz YTWNOMNVXCTNNM-GOSISDBHSA-N 2 1 324.509 2.770 20 0 DFADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC1CCOCC1 ZINC000625137304 399851781 /nfs/dbraw/zinc/85/17/81/399851781.db2.gz YTWNOMNVXCTNNM-GOSISDBHSA-N 2 1 324.509 2.770 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000339252696 543142958 /nfs/dbraw/zinc/14/29/58/543142958.db2.gz HNHWWWLECGNZCV-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000339286157 543143746 /nfs/dbraw/zinc/14/37/46/543143746.db2.gz KRVVZIYXVOIBSH-CVEARBPZSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339072325 543139697 /nfs/dbraw/zinc/13/96/97/543139697.db2.gz WKAFWRKEDBBEJF-UXPWSPDFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339072325 543139699 /nfs/dbraw/zinc/13/96/99/543139699.db2.gz WKAFWRKEDBBEJF-UXPWSPDFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339072325 543139700 /nfs/dbraw/zinc/13/97/00/543139700.db2.gz WKAFWRKEDBBEJF-UXPWSPDFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000339072325 543139702 /nfs/dbraw/zinc/13/97/02/543139702.db2.gz WKAFWRKEDBBEJF-UXPWSPDFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000339072325 543139704 /nfs/dbraw/zinc/13/97/04/543139704.db2.gz WKAFWRKEDBBEJF-UXPWSPDFSA-N 2 1 313.489 2.650 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339071070 543140374 /nfs/dbraw/zinc/14/03/74/543140374.db2.gz QDSUIBNKQLDWAY-MSOLQXFVSA-N 2 1 318.461 2.737 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339071070 543140376 /nfs/dbraw/zinc/14/03/76/543140376.db2.gz QDSUIBNKQLDWAY-MSOLQXFVSA-N 2 1 318.461 2.737 20 0 DFADMP CC(C)[C@@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000339074882 543140684 /nfs/dbraw/zinc/14/06/84/543140684.db2.gz MLSCMVWWBVZJAD-CEXWTWQISA-N 2 1 307.526 2.959 20 0 DFADMP CC[NH+](C[C@@H]1CCCO1)[C@@H](C)CC[N@H+](CC)C[C@H]1CCCO1 ZINC000343606526 543168290 /nfs/dbraw/zinc/16/82/90/543168290.db2.gz XLNKJEYRXOCXPH-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348386953 543185285 /nfs/dbraw/zinc/18/52/85/543185285.db2.gz XSDSOVRKKQPZPV-UFYCRDLUSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378903934 543296787 /nfs/dbraw/zinc/29/67/87/543296787.db2.gz YDHJRXOGGUEBHV-UBHSHLNASA-N 2 1 300.406 2.546 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000400611531 543311656 /nfs/dbraw/zinc/31/16/56/543311656.db2.gz LXOUZURBZBSLGI-OALUTQOASA-N 2 1 302.462 2.915 20 0 DFADMP CC(C)(CO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390901135 543307600 /nfs/dbraw/zinc/30/76/00/543307600.db2.gz HTUUGROONGHJSX-AYHJJNSGSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000390915882 543308209 /nfs/dbraw/zinc/30/82/09/543308209.db2.gz UHTRNXWMQAKWJW-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390915882 543308212 /nfs/dbraw/zinc/30/82/12/543308212.db2.gz UHTRNXWMQAKWJW-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390915882 543308213 /nfs/dbraw/zinc/30/82/13/543308213.db2.gz UHTRNXWMQAKWJW-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000390929506 543308262 /nfs/dbraw/zinc/30/82/62/543308262.db2.gz ZNQXFHSFUUJSIR-MIGBEJBISA-N 2 1 302.462 2.931 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125053330 145205504 /nfs/dbraw/zinc/20/55/04/145205504.db2.gz FDKWQEODLBPGFT-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125053081 145205830 /nfs/dbraw/zinc/20/58/30/145205830.db2.gz FDKWQEODLBPGFT-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000165112041 145228811 /nfs/dbraw/zinc/22/88/11/145228811.db2.gz VUWBBPCRUQOHCL-OAHLLOKOSA-N 2 1 303.450 2.530 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165368955 145229972 /nfs/dbraw/zinc/22/99/72/145229972.db2.gz IHKCTGCBJPZTTB-BEFAXECRSA-N 2 1 319.468 2.720 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCN(Cc2ccc(F)cc2)CC1 ZINC000165368955 145229974 /nfs/dbraw/zinc/22/99/74/145229974.db2.gz IHKCTGCBJPZTTB-BEFAXECRSA-N 2 1 319.468 2.720 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)cc1 ZINC000172248689 145297229 /nfs/dbraw/zinc/29/72/29/145297229.db2.gz AIPPNVOJSUYQAS-LJQANCHMSA-N 2 1 302.462 2.793 20 0 DFADMP CCc1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174875824 145393645 /nfs/dbraw/zinc/39/36/45/145393645.db2.gz HJVRNQNDXNNQNZ-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174875824 145393647 /nfs/dbraw/zinc/39/36/47/145393647.db2.gz HJVRNQNDXNNQNZ-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633335479 399888315 /nfs/dbraw/zinc/88/83/15/399888315.db2.gz YQEJDERVFLPABI-MRXNPFEDSA-N 2 1 312.417 2.633 20 0 DFADMP CC[C@@H]1CN(CC)CCN1C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633335479 399888316 /nfs/dbraw/zinc/88/83/16/399888316.db2.gz YQEJDERVFLPABI-MRXNPFEDSA-N 2 1 312.417 2.633 20 0 DFADMP C[C@H](Nc1nc(N2Cc3ccccc3C2)cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000630508129 399896396 /nfs/dbraw/zinc/89/63/96/399896396.db2.gz HHNDCGSYEANHIC-LSDHHAIUSA-N 2 1 323.444 2.797 20 0 DFADMP C[C@H]([NH3+])C1CCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000630508678 399896524 /nfs/dbraw/zinc/89/65/24/399896524.db2.gz QHAOFQXUZFCOIG-AWEZNQCLSA-N 2 1 323.444 2.560 20 0 DFADMP [NH3+][C@H]1CCC[C@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630513530 399897203 /nfs/dbraw/zinc/89/72/03/399897203.db2.gz ODQRIVXOKDFMLV-HOTGVXAUSA-N 2 1 309.417 2.679 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953986 399964865 /nfs/dbraw/zinc/96/48/65/399964865.db2.gz UXWKRHYMRGWKCA-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631038919 399966891 /nfs/dbraw/zinc/96/68/91/399966891.db2.gz BGJTVZBZNLWDHA-INIZCTEOSA-N 2 1 319.493 2.984 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2cccc(NC(C)=O)c2)CC1 ZINC000631055654 399970692 /nfs/dbraw/zinc/97/06/92/399970692.db2.gz WMWOOTFIIOFATN-UHFFFAOYSA-N 2 1 303.450 2.999 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccncc1Br ZINC000631064433 399972444 /nfs/dbraw/zinc/97/24/44/399972444.db2.gz SADCJFQSROHNMQ-NSHDSACASA-N 2 1 323.238 2.775 20 0 DFADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+](CCO)CC2)cc1C ZINC000631064913 399972769 /nfs/dbraw/zinc/97/27/69/399972769.db2.gz PNHKQLOORWPLBW-SNAWJCMRSA-N 2 1 302.462 2.671 20 0 DFADMP COc1cc(Cl)c(CN[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000631080478 399976773 /nfs/dbraw/zinc/97/67/73/399976773.db2.gz QRQUFINYLXIVMX-YPMHNXCESA-N 2 1 312.841 2.930 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000631154859 399991675 /nfs/dbraw/zinc/99/16/75/399991675.db2.gz IWPZWDBVRHABDM-UHFFFAOYSA-N 2 1 310.413 2.807 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000631195281 400000667 /nfs/dbraw/zinc/00/06/67/400000667.db2.gz VGQKDFWGFARKEI-QFBILLFUSA-N 2 1 324.472 2.687 20 0 DFADMP Cc1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cnn1C ZINC000631196187 400001392 /nfs/dbraw/zinc/00/13/92/400001392.db2.gz OHYXLRCQMHCIHM-DNVCBOLYSA-N 2 1 312.461 2.586 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C[C@@]3(C)CCCS3)C2)nc(C)[nH+]1 ZINC000628212813 400002642 /nfs/dbraw/zinc/00/26/42/400002642.db2.gz HXKACIVFQYZDTQ-NVXWUHKLSA-N 2 1 320.506 2.938 20 0 DFADMP C[N@H+]1CC[C@@H](N(CC[NH3+])c2ccc3ccccc3n2)CC1(C)C ZINC000628310365 400018032 /nfs/dbraw/zinc/01/80/32/400018032.db2.gz ADZYAIBNEXSBJM-MRXNPFEDSA-N 2 1 312.461 2.873 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000631301977 400020853 /nfs/dbraw/zinc/02/08/53/400020853.db2.gz YJOUACZWPXBUOR-AITUJVMLSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000631301977 400020854 /nfs/dbraw/zinc/02/08/54/400020854.db2.gz YJOUACZWPXBUOR-AITUJVMLSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ncccc32)CCCO1 ZINC000631621722 400058895 /nfs/dbraw/zinc/05/88/95/400058895.db2.gz JSTFLYLUDQQZFX-CRAIPNDOSA-N 2 1 303.450 2.550 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ncccc32)CCCO1 ZINC000631621722 400058897 /nfs/dbraw/zinc/05/88/97/400058897.db2.gz JSTFLYLUDQQZFX-CRAIPNDOSA-N 2 1 303.450 2.550 20 0 DFADMP CCC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(C)ccn1 ZINC000631625716 400059512 /nfs/dbraw/zinc/05/95/12/400059512.db2.gz QBKJBVSBQFNSMO-QGZVFWFLSA-N 2 1 318.509 2.847 20 0 DFADMP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631647252 400061641 /nfs/dbraw/zinc/06/16/41/400061641.db2.gz GBFCVNKMYJCEPZ-XSLAGTTESA-N 2 1 304.478 2.656 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000631659265 400063027 /nfs/dbraw/zinc/06/30/27/400063027.db2.gz KRPYSMNFTHRJEF-FFSVYQOJSA-N 2 1 314.832 2.975 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000631659265 400063028 /nfs/dbraw/zinc/06/30/28/400063028.db2.gz KRPYSMNFTHRJEF-FFSVYQOJSA-N 2 1 314.832 2.975 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H](O)C(F)F ZINC000631696252 400067605 /nfs/dbraw/zinc/06/76/05/400067605.db2.gz FKOZVGTVQQLNNG-BMFZPTHFSA-N 2 1 312.404 2.503 20 0 DFADMP c1ccc(C[N@@H+](C[C@H]2CCCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000631823325 400077810 /nfs/dbraw/zinc/07/78/10/400077810.db2.gz BILQCRDWNDWZLF-QZTJIDSGSA-N 2 1 303.450 2.595 20 0 DFADMP c1ccc(C[N@H+](C[C@H]2CCCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000631823325 400077811 /nfs/dbraw/zinc/07/78/11/400077811.db2.gz BILQCRDWNDWZLF-QZTJIDSGSA-N 2 1 303.450 2.595 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631826755 400077965 /nfs/dbraw/zinc/07/79/65/400077965.db2.gz WIXRONUJVALTAD-IAGOWNOFSA-N 2 1 314.473 2.971 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000631828889 400078076 /nfs/dbraw/zinc/07/80/76/400078076.db2.gz AVZNEYGAVFXZES-XQLPTFJDSA-N 2 1 302.409 2.640 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000631828887 400078098 /nfs/dbraw/zinc/07/80/98/400078098.db2.gz AVZNEYGAVFXZES-BARDWOONSA-N 2 1 302.409 2.640 20 0 DFADMP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827662 400078184 /nfs/dbraw/zinc/07/81/84/400078184.db2.gz UFGVPWYRPBLJQC-BEFAXECRSA-N 2 1 300.446 2.723 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236748150 146025476 /nfs/dbraw/zinc/02/54/76/146025476.db2.gz RRXKFJYCNRIYSC-NVXWUHKLSA-N 2 1 305.466 2.531 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+](C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245715065 146096814 /nfs/dbraw/zinc/09/68/14/146096814.db2.gz GTAOINMFGYKGHH-KDOFPFPSSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+](C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000245715065 146096816 /nfs/dbraw/zinc/09/68/16/146096816.db2.gz GTAOINMFGYKGHH-KDOFPFPSSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245715065 146096818 /nfs/dbraw/zinc/09/68/18/146096818.db2.gz GTAOINMFGYKGHH-KDOFPFPSSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000245715065 146096820 /nfs/dbraw/zinc/09/68/20/146096820.db2.gz GTAOINMFGYKGHH-KDOFPFPSSA-N 2 1 306.498 2.707 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245726542 146098158 /nfs/dbraw/zinc/09/81/58/146098158.db2.gz IXMQCTMKAMJYCT-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245726542 146098162 /nfs/dbraw/zinc/09/81/62/146098162.db2.gz IXMQCTMKAMJYCT-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000245726542 146098165 /nfs/dbraw/zinc/09/81/65/146098165.db2.gz IXMQCTMKAMJYCT-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000247101057 146162171 /nfs/dbraw/zinc/16/21/71/146162171.db2.gz SGTNZJZIYKLNJC-KBXCAEBGSA-N 2 1 303.450 2.507 20 0 DFADMP COc1ccc(COCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247109554 146162406 /nfs/dbraw/zinc/16/24/06/146162406.db2.gz SYGZPRDRFDGDKC-TXPKVOOTSA-N 2 1 320.477 2.920 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247140426 146164073 /nfs/dbraw/zinc/16/40/73/146164073.db2.gz SGCKKAIPFFCCIE-INMHGKMJSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249000403 146180988 /nfs/dbraw/zinc/18/09/88/146180988.db2.gz QILDBPVRZKIGCI-NUIAMIPMSA-N 2 1 307.526 2.958 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249000403 146180990 /nfs/dbraw/zinc/18/09/90/146180990.db2.gz QILDBPVRZKIGCI-NUIAMIPMSA-N 2 1 307.526 2.958 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249000403 146180991 /nfs/dbraw/zinc/18/09/91/146180991.db2.gz QILDBPVRZKIGCI-NUIAMIPMSA-N 2 1 307.526 2.958 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000249090828 146187311 /nfs/dbraw/zinc/18/73/11/146187311.db2.gz KJYWTVKDBWNFSX-INMHGKMJSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000249090828 146187314 /nfs/dbraw/zinc/18/73/14/146187314.db2.gz KJYWTVKDBWNFSX-INMHGKMJSA-N 2 1 308.491 2.975 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cs1 ZINC000453114735 543371137 /nfs/dbraw/zinc/37/11/37/543371137.db2.gz RWJRKDKRBVFLAV-AWEZNQCLSA-N 2 1 323.506 2.650 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000453351258 543371689 /nfs/dbraw/zinc/37/16/89/543371689.db2.gz PPXLMINLXDTNCZ-AYOQOUSVSA-N 2 1 312.461 2.776 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000453351258 543371691 /nfs/dbraw/zinc/37/16/91/543371691.db2.gz PPXLMINLXDTNCZ-AYOQOUSVSA-N 2 1 312.461 2.776 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000252695959 146222028 /nfs/dbraw/zinc/22/20/28/146222028.db2.gz AZPRWTRAZHBWOO-PSBWJHGTSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000252695959 146222030 /nfs/dbraw/zinc/22/20/30/146222030.db2.gz AZPRWTRAZHBWOO-PSBWJHGTSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000252695959 146222033 /nfs/dbraw/zinc/22/20/33/146222033.db2.gz AZPRWTRAZHBWOO-PSBWJHGTSA-N 2 1 301.478 2.722 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)cs3)C[C@@H]12 ZINC000261577036 146242070 /nfs/dbraw/zinc/24/20/70/146242070.db2.gz KUWXTELTBSUVDM-GGZOMVNGSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)cs3)C[C@@H]12 ZINC000261577036 146242073 /nfs/dbraw/zinc/24/20/73/146242073.db2.gz KUWXTELTBSUVDM-GGZOMVNGSA-N 2 1 301.253 2.680 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000261540527 146238094 /nfs/dbraw/zinc/23/80/94/146238094.db2.gz FAYFNAJKNMGYTD-GOSISDBHSA-N 2 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000261540527 146238097 /nfs/dbraw/zinc/23/80/97/146238097.db2.gz FAYFNAJKNMGYTD-GOSISDBHSA-N 3 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000261540527 146238100 /nfs/dbraw/zinc/23/81/00/146238100.db2.gz FAYFNAJKNMGYTD-GOSISDBHSA-N 3 1 301.478 2.630 20 0 DFADMP c1coc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000261740107 146269877 /nfs/dbraw/zinc/26/98/77/146269877.db2.gz NUMGDZQICUYXFA-TVFCKZIOSA-N 2 1 317.477 2.927 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1OC(F)F ZINC000261763649 146272231 /nfs/dbraw/zinc/27/22/31/146272231.db2.gz LRMZTQRUTGFATQ-INIZCTEOSA-N 2 1 314.376 2.728 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)cc1OC(F)F ZINC000261763649 146272233 /nfs/dbraw/zinc/27/22/33/146272233.db2.gz LRMZTQRUTGFATQ-INIZCTEOSA-N 2 1 314.376 2.728 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261780335 146275874 /nfs/dbraw/zinc/27/58/74/146275874.db2.gz FKPKZIVMQNHCNX-JGGQBBKZSA-N 2 1 322.836 2.686 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261780335 146275877 /nfs/dbraw/zinc/27/58/77/146275877.db2.gz FKPKZIVMQNHCNX-JGGQBBKZSA-N 2 1 322.836 2.686 20 0 DFADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000261808385 146280450 /nfs/dbraw/zinc/28/04/50/146280450.db2.gz GDKSBAVCXHACKN-MOPGFXCFSA-N 2 1 323.440 2.592 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261823206 146283475 /nfs/dbraw/zinc/28/34/75/146283475.db2.gz IOJRWNBYFTYYSL-MJGOQNOKSA-N 2 1 312.461 2.947 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000261837448 146286030 /nfs/dbraw/zinc/28/60/30/146286030.db2.gz ZIVAYZOQYPSNFV-INIZCTEOSA-N 2 1 304.825 2.696 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000261837448 146286031 /nfs/dbraw/zinc/28/60/31/146286031.db2.gz ZIVAYZOQYPSNFV-INIZCTEOSA-N 2 1 304.825 2.696 20 0 DFADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000261841564 146287530 /nfs/dbraw/zinc/28/75/30/146287530.db2.gz ALCMEQXHSOUJQG-UPJWGTAASA-N 2 1 300.855 2.648 20 0 DFADMP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)n1 ZINC000261862770 146290892 /nfs/dbraw/zinc/29/08/92/146290892.db2.gz CIMNZXNYTBYVSV-MJBXVCDLSA-N 2 1 309.479 2.513 20 0 DFADMP C[N@H+](Cc1nc(C(C)(C)[NH3+])no1)CC12CC3CC(CC(C3)C1)C2 ZINC000261868171 146292044 /nfs/dbraw/zinc/29/20/44/146292044.db2.gz NWJMFLUGAZGJGT-UHFFFAOYSA-N 2 1 318.465 2.912 20 0 DFADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261881430 146295004 /nfs/dbraw/zinc/29/50/04/146295004.db2.gz FJTBWICXYHQMGA-LULLPPNCSA-N 2 1 318.461 2.509 20 0 DFADMP N[C@@H]1C[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261907487 146299116 /nfs/dbraw/zinc/29/91/16/146299116.db2.gz HDJSMNSKHGMPHX-RBUKOAKNSA-N 2 1 308.425 2.591 20 0 DFADMP Cc1ccc2c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000261916826 146301378 /nfs/dbraw/zinc/30/13/78/146301378.db2.gz HCRBHJBBJWEFQX-AWEZNQCLSA-N 2 1 300.402 2.662 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261939806 146305464 /nfs/dbraw/zinc/30/54/64/146305464.db2.gz MQOBPNALFSHUDO-KZNAEPCWSA-N 2 1 318.461 2.640 20 0 DFADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C(=O)NCC[NH3+])C1 ZINC000261946202 146307726 /nfs/dbraw/zinc/30/77/26/146307726.db2.gz MFQWVIPFPBEPIM-GOEBONIOSA-N 2 1 323.868 2.578 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261952237 146308989 /nfs/dbraw/zinc/30/89/89/146308989.db2.gz OMGRSSCKCSJROX-RNJTYBCJSA-N 2 1 306.425 2.676 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@H](OCc3ccccc3F)C2)CC[NH2+]C1 ZINC000261960238 146310443 /nfs/dbraw/zinc/31/04/43/146310443.db2.gz HEONNUNMQCFNCO-FUHWJXTLSA-N 2 1 306.425 2.806 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000261976339 146312667 /nfs/dbraw/zinc/31/26/67/146312667.db2.gz GFWMTXHJDYYCPH-UHFFFAOYSA-N 2 1 314.433 2.867 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000261980760 146315303 /nfs/dbraw/zinc/31/53/03/146315303.db2.gz HXHQLPBBFFSPJQ-ZDUSSCGKSA-N 2 1 323.868 2.989 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261990429 146317517 /nfs/dbraw/zinc/31/75/17/146317517.db2.gz KEORQTYTBAMHJS-FUHWJXTLSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261990429 146317519 /nfs/dbraw/zinc/31/75/19/146317519.db2.gz KEORQTYTBAMHJS-FUHWJXTLSA-N 2 1 304.434 2.840 20 0 DFADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1ccc(Cl)cc1 ZINC000261996361 146319062 /nfs/dbraw/zinc/31/90/62/146319062.db2.gz ULTFYAPUCABFNF-INIZCTEOSA-N 2 1 321.852 2.743 20 0 DFADMP Clc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261993978 146319639 /nfs/dbraw/zinc/31/96/39/146319639.db2.gz TUJSSDGJAZNWHO-GVDBMIGSSA-N 2 1 308.853 2.629 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC[NH2+]C1 ZINC000261998156 146319694 /nfs/dbraw/zinc/31/96/94/146319694.db2.gz LAFSHWFRKYFNML-GXTWGEPZSA-N 2 1 316.371 2.538 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262005111 146321452 /nfs/dbraw/zinc/32/14/52/146321452.db2.gz UMPKNEJKADJVOO-JQHSSLGASA-N 2 1 310.445 2.740 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(SC)c2)CC1 ZINC000262017528 146322181 /nfs/dbraw/zinc/32/21/81/146322181.db2.gz WUNLIJKNGHWTGP-UHFFFAOYSA-N 2 1 321.490 2.669 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000262019674 146323230 /nfs/dbraw/zinc/32/32/30/146323230.db2.gz XKDCOCNLUCIYFQ-UHFFFAOYSA-N 2 1 320.824 2.821 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000262072655 146329759 /nfs/dbraw/zinc/32/97/59/146329759.db2.gz SEMKRHAYCDVCLJ-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000262072655 146329762 /nfs/dbraw/zinc/32/97/62/146329762.db2.gz SEMKRHAYCDVCLJ-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP C[N@@H+](CCOc1ccc(F)cc1Cl)[C@H]1CCC[NH2+]CC1 ZINC000262094897 146333310 /nfs/dbraw/zinc/33/33/10/146333310.db2.gz HPEWENNVGYZCIW-ZDUSSCGKSA-N 2 1 300.805 2.932 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262170087 146339766 /nfs/dbraw/zinc/33/97/66/146339766.db2.gz VAFNBIWCDCLYRQ-APWZRJJASA-N 2 1 318.461 2.805 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262305289 146350220 /nfs/dbraw/zinc/35/02/20/146350220.db2.gz OZXWFJQVSKTYQQ-HRCADAONSA-N 2 1 304.434 2.523 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@H]21 ZINC000262344632 146352649 /nfs/dbraw/zinc/35/26/49/146352649.db2.gz UPQNJXWBOZWNJV-DAXOMENPSA-N 2 1 321.852 2.728 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000262368626 146354898 /nfs/dbraw/zinc/35/48/98/146354898.db2.gz XGUWLVGKWRPIRK-BRWVUGGUSA-N 2 1 304.434 2.714 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]12 ZINC000262555232 146371338 /nfs/dbraw/zinc/37/13/38/146371338.db2.gz UAQPSZSYTCXORI-DAXOMENPSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]12 ZINC000262555232 146371341 /nfs/dbraw/zinc/37/13/41/146371341.db2.gz UAQPSZSYTCXORI-DAXOMENPSA-N 2 1 301.365 2.650 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC(F)F ZINC000262582378 146375126 /nfs/dbraw/zinc/37/51/26/146375126.db2.gz ZDSJBBPQGQBSRQ-MRXNPFEDSA-N 2 1 314.376 2.857 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@](C)(C[NH3+])C2)ccc1OC(F)F ZINC000262582378 146375127 /nfs/dbraw/zinc/37/51/27/146375127.db2.gz ZDSJBBPQGQBSRQ-MRXNPFEDSA-N 2 1 314.376 2.857 20 0 DFADMP c1nc(C2CC2)c(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000487322832 543401438 /nfs/dbraw/zinc/40/14/38/543401438.db2.gz RIJAGHLOQZLLFT-ZDUSSCGKSA-N 2 1 321.490 2.611 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCC[C@@H]2CF)CC1 ZINC000354520866 147066080 /nfs/dbraw/zinc/06/60/80/147066080.db2.gz LHBRARCLJOWASQ-QGZVFWFLSA-N 2 1 305.441 2.762 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000354533409 147069971 /nfs/dbraw/zinc/06/99/71/147069971.db2.gz COOBCLWNUYLOEB-FGTMMUONSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000354533409 147069976 /nfs/dbraw/zinc/06/99/76/147069976.db2.gz COOBCLWNUYLOEB-FGTMMUONSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000354533409 147069978 /nfs/dbraw/zinc/06/99/78/147069978.db2.gz COOBCLWNUYLOEB-FGTMMUONSA-N 2 1 320.477 2.539 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000354706708 147121825 /nfs/dbraw/zinc/12/18/25/147121825.db2.gz BOIYYCSSHSSCKK-BRWVUGGUSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000354797414 147154907 /nfs/dbraw/zinc/15/49/07/147154907.db2.gz RYRYUFVBQRQOJP-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP CCN(CCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)CC(F)(F)F ZINC000354843785 147173265 /nfs/dbraw/zinc/17/32/65/147173265.db2.gz HJWWUTVIFPREQE-KBPBESRZSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1)CC(F)(F)F ZINC000354843785 147173269 /nfs/dbraw/zinc/17/32/69/147173269.db2.gz HJWWUTVIFPREQE-KBPBESRZSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC(F)(F)F ZINC000354843785 147173272 /nfs/dbraw/zinc/17/32/72/147173272.db2.gz HJWWUTVIFPREQE-KBPBESRZSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1)CC(F)(F)F ZINC000354843785 147173273 /nfs/dbraw/zinc/17/32/73/147173273.db2.gz HJWWUTVIFPREQE-KBPBESRZSA-N 2 1 309.420 2.675 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000355407919 147303745 /nfs/dbraw/zinc/30/37/45/147303745.db2.gz DCLWNHYKLSYKOK-HOTGVXAUSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000355407920 147304178 /nfs/dbraw/zinc/30/41/78/147304178.db2.gz DCLWNHYKLSYKOK-HZPDHXFCSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000350078476 286000396 /nfs/dbraw/zinc/00/03/96/286000396.db2.gz ORBGKQZBJXDXKL-QRQLOZEOSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000350078476 286000398 /nfs/dbraw/zinc/00/03/98/286000398.db2.gz ORBGKQZBJXDXKL-QRQLOZEOSA-N 2 1 302.462 2.792 20 0 DFADMP C[NH+](C)CC(=O)N1CC[NH+](CC2CCC(C(C)(C)C)CC2)CC1 ZINC000357853566 148151359 /nfs/dbraw/zinc/15/13/59/148151359.db2.gz YRIIWLKORHXOFS-UHFFFAOYSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000350229318 286020163 /nfs/dbraw/zinc/02/01/63/286020163.db2.gz YQLZHKHWTKEDRU-LJQANCHMSA-N 2 1 320.477 2.807 20 0 DFADMP Cn1ccc(CNC2CC[NH+](Cc3ccccc3Cl)CC2)n1 ZINC000358242426 148300687 /nfs/dbraw/zinc/30/06/87/148300687.db2.gz VHWIZCDTWXGRLU-UHFFFAOYSA-N 2 1 318.852 2.828 20 0 DFADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358255544 148305879 /nfs/dbraw/zinc/30/58/79/148305879.db2.gz RBXOXYOCQBFWJF-RTBURBONSA-N 2 1 320.477 2.829 20 0 DFADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358255544 148305881 /nfs/dbraw/zinc/30/58/81/148305881.db2.gz RBXOXYOCQBFWJF-RTBURBONSA-N 2 1 320.477 2.829 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H](C)C1 ZINC000358356706 148340543 /nfs/dbraw/zinc/34/05/43/148340543.db2.gz PGSUGYDUDGUQFE-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H](C)C1 ZINC000358356706 148340546 /nfs/dbraw/zinc/34/05/46/148340546.db2.gz PGSUGYDUDGUQFE-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000358361234 148342021 /nfs/dbraw/zinc/34/20/21/148342021.db2.gz AWAGWSZTLOADAB-YUELXQCFSA-N 2 1 322.415 2.932 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358503884 148380462 /nfs/dbraw/zinc/38/04/62/148380462.db2.gz HFYKPOHYSVGUBO-UHFFFAOYSA-N 2 1 315.461 2.504 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358516154 148381536 /nfs/dbraw/zinc/38/15/36/148381536.db2.gz OAAYQIFGZJNZQR-UHFFFAOYSA-N 2 1 316.424 2.771 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCCc4[nH+]ccn43)n2)cc1 ZINC000350392157 286033685 /nfs/dbraw/zinc/03/36/85/286033685.db2.gz BRFROABVBMXNEI-HNNXBMFYSA-N 2 1 323.400 2.920 20 0 DFADMP COC[C@@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC000660007078 543524302 /nfs/dbraw/zinc/52/43/02/543524302.db2.gz YOEVXAHEBHEWEL-FUHWJXTLSA-N 2 1 312.498 2.624 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2ccc(Cl)c(C)c2)CC1 ZINC000360995436 149002716 /nfs/dbraw/zinc/00/27/16/149002716.db2.gz ILNNGYZZPUUJGU-UHFFFAOYSA-N 2 1 310.869 2.891 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000360995261 149002766 /nfs/dbraw/zinc/00/27/66/149002766.db2.gz ICBPTUFAYNCUAN-VYDXJSESSA-N 2 1 305.441 2.582 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)[C@H](C)C1 ZINC000361010507 149007508 /nfs/dbraw/zinc/00/75/08/149007508.db2.gz PMEHJBANKOIQCW-NJAFHUGGSA-N 2 1 312.498 2.528 20 0 DFADMP CCC[C@@H](CC)[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000361027104 149012894 /nfs/dbraw/zinc/01/28/94/149012894.db2.gz DGWCDNWNRXBSME-MRXNPFEDSA-N 2 1 321.513 2.539 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361334267 149087408 /nfs/dbraw/zinc/08/74/08/149087408.db2.gz FWTMXNWZZWZHFH-UOVPBQLFSA-N 2 1 322.518 2.742 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361334267 149087410 /nfs/dbraw/zinc/08/74/10/149087410.db2.gz FWTMXNWZZWZHFH-UOVPBQLFSA-N 2 1 322.518 2.742 20 0 DFADMP C[S@](=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361434937 149115066 /nfs/dbraw/zinc/11/50/66/149115066.db2.gz IAFSTQHXRQMTHS-UELCKLHCSA-N 2 1 320.502 2.540 20 0 DFADMP C[S@](=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361434937 149115069 /nfs/dbraw/zinc/11/50/69/149115069.db2.gz IAFSTQHXRQMTHS-UELCKLHCSA-N 2 1 320.502 2.540 20 0 DFADMP FC(F)(F)OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000361458246 149120647 /nfs/dbraw/zinc/12/06/47/149120647.db2.gz FSWZSSLNHXTFAO-UHFFFAOYSA-N 2 1 316.367 2.820 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@@H]1C ZINC000361627497 149172831 /nfs/dbraw/zinc/17/28/31/149172831.db2.gz NKSSVVBOFRZXLB-JKSUJKDBSA-N 2 1 309.498 2.617 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763745 149213365 /nfs/dbraw/zinc/21/33/65/149213365.db2.gz FWUCONMAEXGCKM-BQFCYCMXSA-N 2 1 317.477 2.657 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763745 149213367 /nfs/dbraw/zinc/21/33/67/149213367.db2.gz FWUCONMAEXGCKM-BQFCYCMXSA-N 2 1 317.477 2.657 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCc3cccnc3)C1)CCCC2 ZINC000361843415 149235348 /nfs/dbraw/zinc/23/53/48/149235348.db2.gz PVBFWBGJHNYODE-KRWDZBQOSA-N 2 1 310.445 2.955 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCc3cccnc3)C1)CCCC2 ZINC000361843415 149235349 /nfs/dbraw/zinc/23/53/49/149235349.db2.gz PVBFWBGJHNYODE-KRWDZBQOSA-N 2 1 310.445 2.955 20 0 DFADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000361901879 149251237 /nfs/dbraw/zinc/25/12/37/149251237.db2.gz WWGBQKBTUJZGEZ-IBGZPJMESA-N 2 1 319.468 2.734 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccoc2)[C@@H](C)C1 ZINC000361930927 149257766 /nfs/dbraw/zinc/25/77/66/149257766.db2.gz SQKPHDVKOOLSOJ-BQFCYCMXSA-N 2 1 308.466 2.937 20 0 DFADMP Cc1cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)n1C1CC1 ZINC000350947861 286101212 /nfs/dbraw/zinc/10/12/12/286101212.db2.gz GKQYGJMAGJUUEG-UHFFFAOYSA-N 2 1 317.477 2.896 20 0 DFADMP C[N@H+](CCn1ccnc1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000362051458 149284459 /nfs/dbraw/zinc/28/44/59/149284459.db2.gz CWXJGBSLPNTVRZ-QGZVFWFLSA-N 2 1 311.364 2.534 20 0 DFADMP C[N@@H+](CCn1ccnc1)[C@H](c1ccc(F)cc1)c1cnccn1 ZINC000362051458 149284461 /nfs/dbraw/zinc/28/44/61/149284461.db2.gz CWXJGBSLPNTVRZ-QGZVFWFLSA-N 2 1 311.364 2.534 20 0 DFADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000362624086 149326373 /nfs/dbraw/zinc/32/63/73/149326373.db2.gz QXUIGHBQFVFYSC-AEFFLSMTSA-N 2 1 323.525 2.876 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2cccs2)n1 ZINC000362652262 149334283 /nfs/dbraw/zinc/33/42/83/149334283.db2.gz CSNKTKIJEKKVCH-LSDHHAIUSA-N 2 1 316.474 2.865 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2cccs2)n1 ZINC000362652262 149334284 /nfs/dbraw/zinc/33/42/84/149334284.db2.gz CSNKTKIJEKKVCH-LSDHHAIUSA-N 2 1 316.474 2.865 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000362925274 149398599 /nfs/dbraw/zinc/39/85/99/149398599.db2.gz HMQPRLXOUWJQNJ-NUJGCVRESA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362925274 149398604 /nfs/dbraw/zinc/39/86/04/149398604.db2.gz HMQPRLXOUWJQNJ-NUJGCVRESA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000362925274 149398606 /nfs/dbraw/zinc/39/86/06/149398606.db2.gz HMQPRLXOUWJQNJ-NUJGCVRESA-N 2 1 324.472 2.532 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000351422004 286126023 /nfs/dbraw/zinc/12/60/23/286126023.db2.gz TYDNTJCLXIPCOG-INIZCTEOSA-N 2 1 303.450 2.799 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000351422004 286126024 /nfs/dbraw/zinc/12/60/24/286126024.db2.gz TYDNTJCLXIPCOG-INIZCTEOSA-N 2 1 303.450 2.799 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351340162 286122425 /nfs/dbraw/zinc/12/24/25/286122425.db2.gz OBNYHDUILQGRGY-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351340162 286122428 /nfs/dbraw/zinc/12/24/28/286122428.db2.gz OBNYHDUILQGRGY-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351340162 286122430 /nfs/dbraw/zinc/12/24/30/286122430.db2.gz OBNYHDUILQGRGY-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351340162 286122432 /nfs/dbraw/zinc/12/24/32/286122432.db2.gz OBNYHDUILQGRGY-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472603 286128446 /nfs/dbraw/zinc/12/84/46/286128446.db2.gz BEQCMENVUZJQLS-FPMFFAJLSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351472603 286128449 /nfs/dbraw/zinc/12/84/49/286128449.db2.gz BEQCMENVUZJQLS-FPMFFAJLSA-N 2 1 303.431 2.881 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]12 ZINC000351472898 286129055 /nfs/dbraw/zinc/12/90/55/286129055.db2.gz BSZYQOKCXGUDMX-MISYRCLQSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@H]12 ZINC000351475821 286129330 /nfs/dbraw/zinc/12/93/30/286129330.db2.gz JKIQXZDGTSQEQN-MBNYWOFBSA-N 2 1 314.351 2.753 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]12 ZINC000351480899 286131150 /nfs/dbraw/zinc/13/11/50/286131150.db2.gz WGJADRQAQBNMIC-MISYRCLQSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@H]12 ZINC000351480901 286131161 /nfs/dbraw/zinc/13/11/61/286131161.db2.gz WGJADRQAQBNMIC-YZGWKJHDSA-N 2 1 323.440 2.830 20 0 DFADMP COc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000351494130 286135125 /nfs/dbraw/zinc/13/51/25/286135125.db2.gz NLQSHABKRDFJLR-CWRNSKLLSA-N 2 1 313.401 2.519 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000351494130 286135126 /nfs/dbraw/zinc/13/51/26/286135126.db2.gz NLQSHABKRDFJLR-CWRNSKLLSA-N 2 1 313.401 2.519 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538086 286146883 /nfs/dbraw/zinc/14/68/83/286146883.db2.gz QUQLYGDKESMQFU-WOJBJXKFSA-N 2 1 316.489 2.786 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538086 286146887 /nfs/dbraw/zinc/14/68/87/286146887.db2.gz QUQLYGDKESMQFU-WOJBJXKFSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538086 286146890 /nfs/dbraw/zinc/14/68/90/286146890.db2.gz QUQLYGDKESMQFU-WOJBJXKFSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538086 286146892 /nfs/dbraw/zinc/14/68/92/286146892.db2.gz QUQLYGDKESMQFU-WOJBJXKFSA-N 2 1 316.489 2.786 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1)C1CC1 ZINC000351538095 286147120 /nfs/dbraw/zinc/14/71/20/286147120.db2.gz QXCKCMUUDNBDQY-VQTJNVASSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1)C1CC1 ZINC000351538095 286147122 /nfs/dbraw/zinc/14/71/22/286147122.db2.gz QXCKCMUUDNBDQY-VQTJNVASSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1)C1CC1 ZINC000351538095 286147125 /nfs/dbraw/zinc/14/71/25/286147125.db2.gz QXCKCMUUDNBDQY-VQTJNVASSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1)C1CC1 ZINC000351538095 286147126 /nfs/dbraw/zinc/14/71/26/286147126.db2.gz QXCKCMUUDNBDQY-VQTJNVASSA-N 2 1 316.489 2.929 20 0 DFADMP Cc1csc(C[N@H+](C)C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000371204779 150001980 /nfs/dbraw/zinc/00/19/80/150001980.db2.gz JWTSEHQOUAOEJD-UHFFFAOYSA-N 2 1 302.447 2.947 20 0 DFADMP Cc1ccccc1OCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371295683 150018448 /nfs/dbraw/zinc/01/84/48/150018448.db2.gz UHWSJEPUDPKHRE-ZHALLVOQSA-N 2 1 318.461 2.557 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)NC2CCCCCC2)C[C@@H]1n1ccnc1 ZINC000371334940 150025673 /nfs/dbraw/zinc/02/56/73/150025673.db2.gz HSLUSUXRLBUIIJ-WBVHZDCISA-N 2 1 318.465 2.605 20 0 DFADMP Cc1nccn1CCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371330253 150026148 /nfs/dbraw/zinc/02/61/48/150026148.db2.gz SLXZTNFTSPEARA-KRWDZBQOSA-N 2 1 316.493 2.778 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371330253 150026151 /nfs/dbraw/zinc/02/61/51/150026151.db2.gz SLXZTNFTSPEARA-KRWDZBQOSA-N 3 1 316.493 2.778 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371330253 150026155 /nfs/dbraw/zinc/02/61/55/150026155.db2.gz SLXZTNFTSPEARA-KRWDZBQOSA-N 3 1 316.493 2.778 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccccn1 ZINC000371347908 150028404 /nfs/dbraw/zinc/02/84/04/150028404.db2.gz PRNGSEVBSAKZLJ-YLJYHZDGSA-N 2 1 324.472 2.721 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccccn1 ZINC000371347908 150028406 /nfs/dbraw/zinc/02/84/06/150028406.db2.gz PRNGSEVBSAKZLJ-YLJYHZDGSA-N 2 1 324.472 2.721 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3nc(C)ccc3O)C2)c1 ZINC000371376453 150034572 /nfs/dbraw/zinc/03/45/72/150034572.db2.gz YNRLCKHIEUVXNG-OAHLLOKOSA-N 2 1 312.417 2.733 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000371565867 150066541 /nfs/dbraw/zinc/06/65/41/150066541.db2.gz UJMLZEBFQCOTKN-MRXNPFEDSA-N 2 1 307.401 2.686 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727768 150087678 /nfs/dbraw/zinc/08/76/78/150087678.db2.gz LSZQNDAYFOPQKH-DOMZBBRYSA-N 2 1 305.397 2.531 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000371879688 150108379 /nfs/dbraw/zinc/10/83/79/150108379.db2.gz JYQFKQQGLIZVAK-DLBZAZTESA-N 2 1 315.461 2.870 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC[C@@H]1CCCCO1 ZINC000371889663 150110181 /nfs/dbraw/zinc/11/01/81/150110181.db2.gz ZCAYLMYUYZSXEI-YDZRNGNQSA-N 2 1 324.509 2.815 20 0 DFADMP Fc1cncc(N2CCC[N@H+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000372875532 150195461 /nfs/dbraw/zinc/19/54/61/150195461.db2.gz CHMAVYARJHSAQJ-UHFFFAOYSA-N 2 1 320.456 2.609 20 0 DFADMP Fc1cncc(N2CCC[N@@H+](CCC[NH+]3CCCCC3)CC2)c1 ZINC000372875532 150195463 /nfs/dbraw/zinc/19/54/63/150195463.db2.gz CHMAVYARJHSAQJ-UHFFFAOYSA-N 2 1 320.456 2.609 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000373183213 150242957 /nfs/dbraw/zinc/24/29/57/150242957.db2.gz OUKGZSFBHZQROD-AEFFLSMTSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000373183213 150242958 /nfs/dbraw/zinc/24/29/58/150242958.db2.gz OUKGZSFBHZQROD-AEFFLSMTSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000373183213 150242961 /nfs/dbraw/zinc/24/29/61/150242961.db2.gz OUKGZSFBHZQROD-AEFFLSMTSA-N 2 1 310.482 2.772 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C(C3CC3)C3CC3)C2)nc(C)[nH+]1 ZINC000373192472 150244194 /nfs/dbraw/zinc/24/41/94/150244194.db2.gz VFWITRKEGNNHTO-MRXNPFEDSA-N 2 1 300.450 2.840 20 0 DFADMP c1cnn(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000374052726 150300391 /nfs/dbraw/zinc/30/03/91/150300391.db2.gz FIWJPJZEBQNVJA-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP c1cnn(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000374052726 150300395 /nfs/dbraw/zinc/30/03/95/150300395.db2.gz FIWJPJZEBQNVJA-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP c1cnn(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000374052726 150300399 /nfs/dbraw/zinc/30/03/99/150300399.db2.gz FIWJPJZEBQNVJA-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374294414 150337331 /nfs/dbraw/zinc/33/73/31/150337331.db2.gz JZSBYRAHFZONDH-HNNXBMFYSA-N 2 1 308.466 2.526 20 0 DFADMP Cc1cc(N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)nc(C)n1 ZINC000374302385 150341452 /nfs/dbraw/zinc/34/14/52/150341452.db2.gz OOASAVPFGTUWHM-OAHLLOKOSA-N 2 1 300.450 2.794 20 0 DFADMP Cc1cc(N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000374302385 150341453 /nfs/dbraw/zinc/34/14/53/150341453.db2.gz OOASAVPFGTUWHM-OAHLLOKOSA-N 2 1 300.450 2.794 20 0 DFADMP Cc1cc(N2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)nc(C)[nH+]1 ZINC000374302385 150341455 /nfs/dbraw/zinc/34/14/55/150341455.db2.gz OOASAVPFGTUWHM-OAHLLOKOSA-N 2 1 300.450 2.794 20 0 DFADMP CCCCOC(=O)C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000374317767 150344392 /nfs/dbraw/zinc/34/43/92/150344392.db2.gz NPRYOQJBUKXGSO-OAHLLOKOSA-N 2 1 308.466 2.526 20 0 DFADMP CCCCOC(=O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374317767 150344393 /nfs/dbraw/zinc/34/43/93/150344393.db2.gz NPRYOQJBUKXGSO-OAHLLOKOSA-N 2 1 308.466 2.526 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686744 286193327 /nfs/dbraw/zinc/19/33/27/286193327.db2.gz LIWTXXNEYNUCHS-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686744 286193329 /nfs/dbraw/zinc/19/33/29/286193329.db2.gz LIWTXXNEYNUCHS-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686744 286193331 /nfs/dbraw/zinc/19/33/31/286193331.db2.gz LIWTXXNEYNUCHS-MRXNPFEDSA-N 2 1 312.461 2.861 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC(OCC)C2)[C@H](C)C1 ZINC000351821221 286226312 /nfs/dbraw/zinc/22/63/12/286226312.db2.gz GYZZHLDDPUOLLH-CPFNUKBASA-N 2 1 312.498 2.528 20 0 DFADMP CC[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000351847769 286231855 /nfs/dbraw/zinc/23/18/55/286231855.db2.gz BNUVCOOMDTWRQA-XPKDYRNWSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H](NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000351847769 286231857 /nfs/dbraw/zinc/23/18/57/286231857.db2.gz BNUVCOOMDTWRQA-XPKDYRNWSA-N 2 1 323.868 2.576 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000352156355 286307329 /nfs/dbraw/zinc/30/73/29/286307329.db2.gz JIZGCWPWYQQXQQ-JKSUJKDBSA-N 2 1 311.514 2.780 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000352146413 286304150 /nfs/dbraw/zinc/30/41/50/286304150.db2.gz FIMCMFAWFFZJCW-GOSISDBHSA-N 2 1 319.493 2.921 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352158614 286308063 /nfs/dbraw/zinc/30/80/63/286308063.db2.gz LRYSXYUTDQRYJT-UHFFFAOYSA-N 2 1 309.417 2.772 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352488451 286386180 /nfs/dbraw/zinc/38/61/80/286386180.db2.gz QJOUKXWKXLUCKA-CQSZACIVSA-N 2 1 321.490 2.940 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1CC(=O)NCCCC1CCCCC1 ZINC000352503792 286390962 /nfs/dbraw/zinc/39/09/62/286390962.db2.gz KDYXDZMZSLWIRM-KRWDZBQOSA-N 2 1 309.498 2.666 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CC(=O)NCCCC1CCCCC1 ZINC000352503792 286390963 /nfs/dbraw/zinc/39/09/63/286390963.db2.gz KDYXDZMZSLWIRM-KRWDZBQOSA-N 2 1 309.498 2.666 20 0 DFADMP CCc1ccc([C@@H](C)NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352503599 286391015 /nfs/dbraw/zinc/39/10/15/286391015.db2.gz HZHAVVXVPRLEHO-CRAIPNDOSA-N 2 1 317.477 2.630 20 0 DFADMP CCc1ccc([C@@H](C)NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1 ZINC000352503599 286391016 /nfs/dbraw/zinc/39/10/16/286391016.db2.gz HZHAVVXVPRLEHO-CRAIPNDOSA-N 2 1 317.477 2.630 20 0 DFADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccccc1)CC1CCCC1 ZINC000352487327 286386018 /nfs/dbraw/zinc/38/60/18/286386018.db2.gz CUXOFMMTYILHLA-UHFFFAOYSA-N 2 1 303.450 2.856 20 0 DFADMP C[C@H]1CCCC[C@H]1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352510502 286393183 /nfs/dbraw/zinc/39/31/83/286393183.db2.gz NTHSVXWLWBIVEO-DOTOQJQBSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H](NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)c1ccccc1 ZINC000352519784 286396402 /nfs/dbraw/zinc/39/64/02/286396402.db2.gz RNAQEVADGQBRBH-MRXNPFEDSA-N 2 1 317.477 2.705 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000352520112 286396578 /nfs/dbraw/zinc/39/65/78/286396578.db2.gz VIRZVUCASJRWJW-FUHWJXTLSA-N 2 1 317.477 2.684 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCCC[C@@H]2CC[NH3+])cc1C ZINC000352520112 286396579 /nfs/dbraw/zinc/39/65/79/286396579.db2.gz VIRZVUCASJRWJW-FUHWJXTLSA-N 2 1 317.477 2.684 20 0 DFADMP COCCCOc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352527105 286398644 /nfs/dbraw/zinc/39/86/44/286398644.db2.gz WKQDPKCVXOWSIX-IBGZPJMESA-N 2 1 318.461 2.677 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000352527105 286398648 /nfs/dbraw/zinc/39/86/48/286398648.db2.gz WKQDPKCVXOWSIX-IBGZPJMESA-N 2 1 318.461 2.677 20 0 DFADMP CCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cn1 ZINC000352758164 286459439 /nfs/dbraw/zinc/45/94/39/286459439.db2.gz GRTAPSJFCXWBIH-OALUTQOASA-N 2 1 317.477 2.502 20 0 DFADMP C[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1COc2ccccc21 ZINC000352759229 286459690 /nfs/dbraw/zinc/45/96/90/286459690.db2.gz JLVSCHIXFGJUBU-IUODEOHRSA-N 2 1 317.458 2.859 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cccc(F)c2F)s1 ZINC000352764631 286460815 /nfs/dbraw/zinc/46/08/15/286460815.db2.gz IHHLNSACFRZUGX-UHFFFAOYSA-N 2 1 311.401 2.815 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000429159611 296733790 /nfs/dbraw/zinc/73/37/90/296733790.db2.gz FRBWQCSFPHDOLX-JGGQBBKZSA-N 2 1 323.868 2.529 20 0 DFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@H](c2ccccc2)C(C)(C)C)CC1 ZINC000429687368 296754938 /nfs/dbraw/zinc/75/49/38/296754938.db2.gz WOTOORMHINDYHI-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3cc(F)ccc3n2C)[C@@H](C)C1 ZINC000246491302 158093972 /nfs/dbraw/zinc/09/39/72/158093972.db2.gz RXXVIEMKHJKTKI-DZGCQCFKSA-N 2 1 318.440 2.575 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246885017 158104644 /nfs/dbraw/zinc/10/46/44/158104644.db2.gz DHEFZULVKBHMQS-GRDNDAEWSA-N 2 1 306.450 2.565 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ncccc3Cl)C2)[C@@H](C)C1 ZINC000246945517 158107178 /nfs/dbraw/zinc/10/71/78/158107178.db2.gz HDJSGZZQANSSOY-LZWOXQAQSA-N 2 1 322.884 2.634 20 0 DFADMP CC(C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247954103 158152980 /nfs/dbraw/zinc/15/29/80/158152980.db2.gz FIEJPSRNSGASSL-CRAIPNDOSA-N 2 1 317.477 2.518 20 0 DFADMP CCc1ccc([C@H](CN[C@H]2CC[N@@H+](C)[C@@H](C)C2)[NH+](C)C)cc1 ZINC000247971030 158155675 /nfs/dbraw/zinc/15/56/75/158155675.db2.gz JJVUHZVLMHHSTC-SNRMKQJTSA-N 2 1 303.494 2.924 20 0 DFADMP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000248041316 158158961 /nfs/dbraw/zinc/15/89/61/158158961.db2.gz SZDBTQHVQTZINZ-IEBWSBKVSA-N 2 1 318.509 2.614 20 0 DFADMP CC[NH+](CC)CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000248041316 158158963 /nfs/dbraw/zinc/15/89/63/158158963.db2.gz SZDBTQHVQTZINZ-IEBWSBKVSA-N 3 1 318.509 2.614 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(Cc3nc4cc(F)ccc4o3)CC[C@H]21 ZINC000248185224 158164815 /nfs/dbraw/zinc/16/48/15/158164815.db2.gz XFLMNYZMKLJRFV-SWLSCSKDSA-N 2 1 303.381 2.883 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000248385058 158169188 /nfs/dbraw/zinc/16/91/88/158169188.db2.gz HAPCREKDZOERQB-YJBOKZPZSA-N 2 1 312.461 2.907 20 0 DFADMP CC[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248402450 158172243 /nfs/dbraw/zinc/17/22/43/158172243.db2.gz VFBKRZQERDOOLA-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CCC[C@@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000248403510 158172840 /nfs/dbraw/zinc/17/28/40/158172840.db2.gz OQFRAWLUWKYBLO-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248403510 158172842 /nfs/dbraw/zinc/17/28/42/158172842.db2.gz OQFRAWLUWKYBLO-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403510 158172845 /nfs/dbraw/zinc/17/28/45/158172845.db2.gz OQFRAWLUWKYBLO-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248403510 158172846 /nfs/dbraw/zinc/17/28/46/158172846.db2.gz OQFRAWLUWKYBLO-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403510 158172849 /nfs/dbraw/zinc/17/28/49/158172849.db2.gz OQFRAWLUWKYBLO-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248406452 158173768 /nfs/dbraw/zinc/17/37/68/158173768.db2.gz SJVOZGCFDJLRJE-JCHJZTRSSA-N 2 1 302.462 2.648 20 0 DFADMP COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248418753 158174824 /nfs/dbraw/zinc/17/48/24/158174824.db2.gz TWIBGGAABZRWFV-JCHJZTRSSA-N 2 1 302.462 2.912 20 0 DFADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248420521 158175310 /nfs/dbraw/zinc/17/53/10/158175310.db2.gz XCVPNHCBSZQBKS-NCXUSEDFSA-N 2 1 302.462 2.912 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000248440378 158176435 /nfs/dbraw/zinc/17/64/35/158176435.db2.gz JJWQNOBJTIOSEJ-QFBILLFUSA-N 2 1 300.446 2.699 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248442512 158176719 /nfs/dbraw/zinc/17/67/19/158176719.db2.gz VLYYLEFSAQVXNR-HOTGVXAUSA-N 2 1 321.465 2.652 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248442512 158176721 /nfs/dbraw/zinc/17/67/21/158176721.db2.gz VLYYLEFSAQVXNR-HOTGVXAUSA-N 2 1 321.465 2.652 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000248446490 158177278 /nfs/dbraw/zinc/17/72/78/158177278.db2.gz COZZQGNWKIMAEB-CEXWTWQISA-N 2 1 314.473 2.649 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000248456928 158177431 /nfs/dbraw/zinc/17/74/31/158177431.db2.gz SPRXUFCYFJDWIL-RHSMWYFYSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000248456928 158177434 /nfs/dbraw/zinc/17/74/34/158177434.db2.gz SPRXUFCYFJDWIL-RHSMWYFYSA-N 2 1 300.402 2.697 20 0 DFADMP C[N@@H+](CCN1CC[C@@H](C[NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000248612800 158189393 /nfs/dbraw/zinc/18/93/93/158189393.db2.gz YBFRFTKTVMKSFK-SFHVURJKSA-N 2 1 319.468 2.675 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000248827400 158202605 /nfs/dbraw/zinc/20/26/05/158202605.db2.gz DGNUVCQUAIFKPL-QRQLOZEOSA-N 2 1 302.462 2.566 20 0 DFADMP CCN1CC[NH+]([C@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000301563930 158220055 /nfs/dbraw/zinc/22/00/55/158220055.db2.gz YPRLMOIXCJGLCC-MRXNPFEDSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H](O)CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000354878454 158240765 /nfs/dbraw/zinc/24/07/65/158240765.db2.gz GQDBDIIUVOHCGF-KRWDZBQOSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H](C1CCC1)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355067703 158266507 /nfs/dbraw/zinc/26/65/07/158266507.db2.gz YBHHTWDDCLYDAF-QAPCUYQASA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000355072345 158267782 /nfs/dbraw/zinc/26/77/82/158267782.db2.gz RLUUREFUDQDOTB-HZPDHXFCSA-N 2 1 319.468 2.987 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000355208742 158298450 /nfs/dbraw/zinc/29/84/50/158298450.db2.gz BWANLDIGQZIXFH-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000356641588 158304736 /nfs/dbraw/zinc/30/47/36/158304736.db2.gz ITAXFRNFZWZFER-ROUUACIJSA-N 2 1 323.525 2.831 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000356864349 158316447 /nfs/dbraw/zinc/31/64/47/158316447.db2.gz KQNGFDNVWHAYSJ-GDBMZVCRSA-N 2 1 306.450 2.914 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@H](C)C1 ZINC000358291723 158369065 /nfs/dbraw/zinc/36/90/65/158369065.db2.gz GMKRUICAOXWIFO-MJGOQNOKSA-N 2 1 319.493 2.741 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000430561884 296795498 /nfs/dbraw/zinc/79/54/98/296795498.db2.gz BBTAFHAROGDYBF-UHFFFAOYSA-N 2 1 316.424 2.833 20 0 DFADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000430955354 296814903 /nfs/dbraw/zinc/81/49/03/296814903.db2.gz LYWKDVZONBNFPD-LBPRGKRZSA-N 2 1 309.841 2.598 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000430966063 296816076 /nfs/dbraw/zinc/81/60/76/296816076.db2.gz MDZRVBREYSWHPX-NEPJUHHUSA-N 2 1 309.841 2.726 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccsc2Cl)CC1(C)C ZINC000441339569 297180185 /nfs/dbraw/zinc/18/01/85/297180185.db2.gz ZBCKUFRGQVVZLM-UHFFFAOYSA-N 2 1 301.887 2.517 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000130689063 196101224 /nfs/dbraw/zinc/10/12/24/196101224.db2.gz SZARULFSLMMPBY-GOSISDBHSA-N 2 1 323.525 2.687 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1F ZINC000130694381 196102229 /nfs/dbraw/zinc/10/22/29/196102229.db2.gz LZLCJFWJVMALIO-UHFFFAOYSA-N 2 1 319.380 2.639 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1F ZINC000130694381 196102231 /nfs/dbraw/zinc/10/22/31/196102231.db2.gz LZLCJFWJVMALIO-UHFFFAOYSA-N 2 1 319.380 2.639 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000130936300 196124110 /nfs/dbraw/zinc/12/41/10/196124110.db2.gz NNROBCWIVZYJSQ-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1cc(C)cc(C)c1 ZINC000130936300 196124111 /nfs/dbraw/zinc/12/41/11/196124111.db2.gz NNROBCWIVZYJSQ-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP CC1CCC([NH+]2CCC([N@@H+](C)CCn3ccnc3)CC2)CC1 ZINC000131026913 196133967 /nfs/dbraw/zinc/13/39/67/196133967.db2.gz FCDAMXPBNJGPST-UHFFFAOYSA-N 2 1 304.482 2.858 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](CC)C1CC1)c1ccsc1 ZINC000131052384 196136291 /nfs/dbraw/zinc/13/62/91/196136291.db2.gz CSPZSYYEJCVGPX-INIZCTEOSA-N 2 1 323.506 2.732 20 0 DFADMP COc1ccc(OC)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000131770699 196197372 /nfs/dbraw/zinc/19/73/72/196197372.db2.gz KZZFHSIUECHHHI-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP COc1ccc(OC)c(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000131770699 196197374 /nfs/dbraw/zinc/19/73/74/196197374.db2.gz KZZFHSIUECHHHI-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP CC(C)n1cc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000133125941 196313085 /nfs/dbraw/zinc/31/30/85/196313085.db2.gz QYZWWTPKEFUVGZ-JKSUJKDBSA-N 2 1 320.481 2.616 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)[C@H](C)C1 ZINC000133273801 196327062 /nfs/dbraw/zinc/32/70/62/196327062.db2.gz IEWSMTKMAHNYPT-ZACQAIPSSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374966713 287284655 /nfs/dbraw/zinc/28/46/55/287284655.db2.gz XLGXKYGJXFGLFU-MKXGPGLRSA-N 2 1 307.526 2.771 20 0 DFADMP Oc1ccc2c(c1)CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000667564190 543631793 /nfs/dbraw/zinc/63/17/93/543631793.db2.gz DPVPUPMVADEOLN-UHFFFAOYSA-N 2 1 320.396 2.574 20 0 DFADMP Cc1[nH+]cc(CN(C)C2CC[NH+](Cc3ccccc3)CC2)n1C ZINC000667598733 543638687 /nfs/dbraw/zinc/63/86/87/543638687.db2.gz AMEDVWKDOIKCPD-UHFFFAOYSA-N 2 1 312.461 2.825 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)nc(C)[nH+]1 ZINC000667839755 543689728 /nfs/dbraw/zinc/68/97/28/543689728.db2.gz BMJXSZSRJRXBBS-LTIDMASMSA-N 2 1 300.450 2.840 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000667884981 543698056 /nfs/dbraw/zinc/69/80/56/543698056.db2.gz IPXQCUKADQFURH-BQFCYCMXSA-N 2 1 320.477 2.715 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000667884981 543698059 /nfs/dbraw/zinc/69/80/59/543698059.db2.gz IPXQCUKADQFURH-BQFCYCMXSA-N 2 1 320.477 2.715 20 0 DFADMP COCc1csc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000667706507 543663824 /nfs/dbraw/zinc/66/38/24/543663824.db2.gz ANMAQEGTSMSVKW-DJIMGWMZSA-N 2 1 324.490 2.578 20 0 DFADMP COCc1csc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000667706507 543663826 /nfs/dbraw/zinc/66/38/26/543663826.db2.gz ANMAQEGTSMSVKW-DJIMGWMZSA-N 2 1 324.490 2.578 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)c1 ZINC000667768435 543675454 /nfs/dbraw/zinc/67/54/54/543675454.db2.gz OWOJJIYDBPXXJK-AYOQOUSVSA-N 2 1 300.446 2.797 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792566 543680115 /nfs/dbraw/zinc/68/01/15/543680115.db2.gz CSOVFVJTUHGBPA-FUHWJXTLSA-N 2 1 320.477 2.574 20 0 DFADMP COCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[C@@H](C)C1 ZINC000668055998 543731546 /nfs/dbraw/zinc/73/15/46/543731546.db2.gz PXASLVTZNVWJQU-WBVHZDCISA-N 2 1 314.433 2.904 20 0 DFADMP Cc1[nH+]cc(CN(CCc2ccccn2)Cc2cccnc2)n1C ZINC000668098987 543739294 /nfs/dbraw/zinc/73/92/94/543739294.db2.gz WPFIUVIGYVSILK-UHFFFAOYSA-N 2 1 321.428 2.763 20 0 DFADMP C[NH+](C)CCN(Cc1c[nH+]c2n1CCC2)Cc1ccccc1F ZINC000668157621 543753804 /nfs/dbraw/zinc/75/38/04/543753804.db2.gz XRUHDNLWIVLFLV-UHFFFAOYSA-N 2 1 316.424 2.532 20 0 DFADMP C[N@H+](Cc1ccc(F)c(F)c1F)C[C@H]1CCn2ccnc2C1 ZINC000668170081 543758115 /nfs/dbraw/zinc/75/81/15/543758115.db2.gz CFQHCTBNUCTJBV-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172855 543758650 /nfs/dbraw/zinc/75/86/50/543758650.db2.gz VFBGTFINUUTSBP-ATZDWAIDSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172855 543758653 /nfs/dbraw/zinc/75/86/53/543758653.db2.gz VFBGTFINUUTSBP-ATZDWAIDSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172855 543758656 /nfs/dbraw/zinc/75/86/56/543758656.db2.gz VFBGTFINUUTSBP-ATZDWAIDSA-N 2 1 318.461 2.626 20 0 DFADMP Cc1ncc(C[N@H+](C[C@@H](C)c2ccccc2)[C@@H](C)CO)n1C ZINC000668174806 543759563 /nfs/dbraw/zinc/75/95/63/543759563.db2.gz YZEZRFJYFJXYLP-CABCVRRESA-N 2 1 301.434 2.715 20 0 DFADMP C[C@]12CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@H]1C2(F)F ZINC000668183536 543761962 /nfs/dbraw/zinc/76/19/62/543761962.db2.gz HNDXFKYUCHFQSP-CABCVRRESA-N 2 1 304.344 2.744 20 0 DFADMP CN1CC(C[N@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000668538136 543820446 /nfs/dbraw/zinc/82/04/46/543820446.db2.gz UTUSMCMWDDAAKL-UHFFFAOYSA-N 2 1 304.825 2.519 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000668538136 543820448 /nfs/dbraw/zinc/82/04/48/543820448.db2.gz UTUSMCMWDDAAKL-UHFFFAOYSA-N 2 1 304.825 2.519 20 0 DFADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000668701969 543848128 /nfs/dbraw/zinc/84/81/28/543848128.db2.gz ULEGMDLPXDFDQC-DOTOQJQBSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000668701969 543848130 /nfs/dbraw/zinc/84/81/30/543848130.db2.gz ULEGMDLPXDFDQC-DOTOQJQBSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H](O)C1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000668701970 543848433 /nfs/dbraw/zinc/84/84/33/543848433.db2.gz ULEGMDLPXDFDQC-NVXWUHKLSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H](O)C1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000668701970 543848435 /nfs/dbraw/zinc/84/84/35/543848435.db2.gz ULEGMDLPXDFDQC-NVXWUHKLSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000668691722 543847255 /nfs/dbraw/zinc/84/72/55/543847255.db2.gz AWMPNGLPLCTSLS-FZKQIMNGSA-N 2 1 324.415 2.911 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc3cnccc32)CCO1 ZINC000668784263 543866856 /nfs/dbraw/zinc/86/68/56/543866856.db2.gz AFLLNQYQFXSHIS-GOSISDBHSA-N 2 1 313.445 2.777 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633594 226070222 /nfs/dbraw/zinc/07/02/22/226070222.db2.gz XOOHZTSLWBLWQZ-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633594 226070225 /nfs/dbraw/zinc/07/02/25/226070225.db2.gz XOOHZTSLWBLWQZ-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670267624 544031102 /nfs/dbraw/zinc/03/11/02/544031102.db2.gz MOOYRKULTGEHMZ-LPHOPBHVSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H](C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C(C)(C)C ZINC000670267624 544031104 /nfs/dbraw/zinc/03/11/04/544031104.db2.gz MOOYRKULTGEHMZ-LPHOPBHVSA-N 2 1 304.478 2.895 20 0 DFADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723617 544101772 /nfs/dbraw/zinc/10/17/72/544101772.db2.gz PATLCQQXLIKGTR-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723617 544101774 /nfs/dbraw/zinc/10/17/74/544101774.db2.gz PATLCQQXLIKGTR-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@H]4CCCOC4)C3)C2)cc1 ZINC000671723617 544101776 /nfs/dbraw/zinc/10/17/76/544101776.db2.gz PATLCQQXLIKGTR-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671751998 544106536 /nfs/dbraw/zinc/10/65/36/544106536.db2.gz KAYDXVMETPQGPE-OKYOBFRVSA-N 2 1 300.446 2.763 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000671742060 544105167 /nfs/dbraw/zinc/10/51/67/544105167.db2.gz WTENCXZTZVTJDU-PMACEKPBSA-N 2 1 315.505 2.958 20 0 DFADMP C[NH+](C)Cc1ccccc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000672741899 544149860 /nfs/dbraw/zinc/14/98/60/544149860.db2.gz LVXGJMUMFBAMAN-MRXNPFEDSA-N 2 1 303.450 2.951 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000291259322 222264405 /nfs/dbraw/zinc/26/44/05/222264405.db2.gz WTOGZQUNQYNMEQ-HSALFYBXSA-N 2 1 313.489 2.644 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000291259322 222264408 /nfs/dbraw/zinc/26/44/08/222264408.db2.gz WTOGZQUNQYNMEQ-HSALFYBXSA-N 2 1 313.489 2.644 20 0 DFADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000674284226 544228706 /nfs/dbraw/zinc/22/87/06/544228706.db2.gz OJLLHZJCZJEMIX-BBRMVZONSA-N 2 1 323.868 2.543 20 0 DFADMP CCN(C(=O)[C@H](C)[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000674286951 544229065 /nfs/dbraw/zinc/22/90/65/544229065.db2.gz JZYINQZVQYJOLG-RYRKJORJSA-N 2 1 317.477 2.621 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000674306012 544230548 /nfs/dbraw/zinc/23/05/48/544230548.db2.gz YOBRNSAWMKUYRS-DOTOQJQBSA-N 2 1 300.450 2.805 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)o1 ZINC000674965101 544280128 /nfs/dbraw/zinc/28/01/28/544280128.db2.gz MCTTYPBYHZHDOC-HOCLYGCPSA-N 2 1 321.465 2.580 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1cnc(-c3ccncc3)s1)C2 ZINC000674676635 544250716 /nfs/dbraw/zinc/25/07/16/544250716.db2.gz VVUSCLKIZKJXED-CYBMUJFWSA-N 2 1 311.414 2.506 20 0 DFADMP CC[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCCC1 ZINC000675744026 544333417 /nfs/dbraw/zinc/33/34/17/544333417.db2.gz YDIOOOJTCFNWHG-LJQANCHMSA-N 2 1 316.493 2.510 20 0 DFADMP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000675880955 544341304 /nfs/dbraw/zinc/34/13/04/544341304.db2.gz JHHRKKWAXDSGMB-UXHICEINSA-N 2 1 314.473 2.777 20 0 DFADMP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675881971 544341429 /nfs/dbraw/zinc/34/14/29/544341429.db2.gz OIIFYMGSQGVIMG-QAPCUYQASA-N 2 1 306.450 2.834 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000675882575 544341436 /nfs/dbraw/zinc/34/14/36/544341436.db2.gz SAWOGESHMMNKDT-KXBFYZLASA-N 2 1 318.461 2.989 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000675802543 544337722 /nfs/dbraw/zinc/33/77/22/544337722.db2.gz STANPDCLNBATEG-YJBOKZPZSA-N 2 1 306.450 2.619 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(OC)cccc32)[C@@H](C)C1 ZINC000675908711 544343678 /nfs/dbraw/zinc/34/36/78/544343678.db2.gz XFGBLVZLZNAWJN-CWRNSKLLSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(OC)cccc32)[C@@H](C)C1 ZINC000675908711 544343681 /nfs/dbraw/zinc/34/36/81/544343681.db2.gz XFGBLVZLZNAWJN-CWRNSKLLSA-N 2 1 304.434 2.839 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000676950272 544416276 /nfs/dbraw/zinc/41/62/76/544416276.db2.gz YMFMOZPKRZTSAO-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1csc(N2CC[N@@H+](CCCn3cc[nH+]c3C)C[C@H]2C)n1 ZINC000677816926 544545561 /nfs/dbraw/zinc/54/55/61/544545561.db2.gz DWCIKJHTWPCDHU-CQSZACIVSA-N 2 1 319.478 2.557 20 0 DFADMP Cc1csc(N2CC[N@H+](CCCn3cc[nH+]c3C)C[C@H]2C)n1 ZINC000677816926 544545568 /nfs/dbraw/zinc/54/55/68/544545568.db2.gz DWCIKJHTWPCDHU-CQSZACIVSA-N 2 1 319.478 2.557 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000678218972 544621583 /nfs/dbraw/zinc/62/15/83/544621583.db2.gz IJRGAMLVYUUVTG-UHFFFAOYSA-N 2 1 301.434 2.705 20 0 DFADMP CCCn1cc(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000678232919 544626778 /nfs/dbraw/zinc/62/67/78/544626778.db2.gz PUFWJDMNTJLZKG-INIZCTEOSA-N 2 1 313.449 2.931 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000678239022 544628152 /nfs/dbraw/zinc/62/81/52/544628152.db2.gz UMFLAGAJFLHABP-QGZVFWFLSA-N 2 1 318.461 2.772 20 0 DFADMP C[N@@H+](Cc1cn[nH]c1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000678265877 544637210 /nfs/dbraw/zinc/63/72/10/544637210.db2.gz BLVQVMWKKUZHHU-UHFFFAOYSA-N 2 1 314.433 2.516 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+](CCCO)C1CC1 ZINC000678264249 544637720 /nfs/dbraw/zinc/63/77/20/544637720.db2.gz RQXCGQSYXMORGB-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+](CCCO)C1CC1 ZINC000678264249 544637723 /nfs/dbraw/zinc/63/77/23/544637723.db2.gz RQXCGQSYXMORGB-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](CCCO)C1CC1 ZINC000678264249 544637727 /nfs/dbraw/zinc/63/77/27/544637727.db2.gz RQXCGQSYXMORGB-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](CCCO)C1CC1 ZINC000678264249 544637729 /nfs/dbraw/zinc/63/77/29/544637729.db2.gz RQXCGQSYXMORGB-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000299502578 229160563 /nfs/dbraw/zinc/16/05/63/229160563.db2.gz UQSZHUYPEIWQNA-UHFFFAOYSA-N 2 1 322.412 2.955 20 0 DFADMP C[C@H](CCc1ccccc1)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000678954534 544756256 /nfs/dbraw/zinc/75/62/56/544756256.db2.gz FPOFUOJJIPZENU-LJQANCHMSA-N 2 1 317.521 2.873 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nccn3C2)CC[N@@H+]1Cc1ccccc1 ZINC000679024935 544769422 /nfs/dbraw/zinc/76/94/22/544769422.db2.gz FTCZGBGROOZADP-QRQLOZEOSA-N 2 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nccn3C2)CC[N@H+]1Cc1ccccc1 ZINC000679024935 544769426 /nfs/dbraw/zinc/76/94/26/544769426.db2.gz FTCZGBGROOZADP-QRQLOZEOSA-N 2 1 324.472 2.841 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000679074237 544779373 /nfs/dbraw/zinc/77/93/73/544779373.db2.gz AFMSBZCFQZDTLH-JFRXWTBNSA-N 2 1 307.526 2.959 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3CCO[C@@H](C)C3)C2)c1 ZINC000679331114 544836047 /nfs/dbraw/zinc/83/60/47/544836047.db2.gz DIWCTYRUWFMXPJ-ULQDDVLXSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3CCO[C@@H](C)C3)C2)c1 ZINC000679331114 544836051 /nfs/dbraw/zinc/83/60/51/544836051.db2.gz DIWCTYRUWFMXPJ-ULQDDVLXSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc2ccccc2c(N2CCC([N@@H+](C)CCCO)CC2)[nH+]1 ZINC000302031229 230048986 /nfs/dbraw/zinc/04/89/86/230048986.db2.gz ILJVZEMRMHWGEB-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000679863918 544918808 /nfs/dbraw/zinc/91/88/08/544918808.db2.gz QJJBYMZTUMCNSC-RSPOEFSDSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000679863918 544918812 /nfs/dbraw/zinc/91/88/12/544918812.db2.gz QJJBYMZTUMCNSC-RSPOEFSDSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000679863918 544918814 /nfs/dbraw/zinc/91/88/14/544918814.db2.gz QJJBYMZTUMCNSC-RSPOEFSDSA-N 2 1 316.489 2.990 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H]2CCCC[C@H]21 ZINC000679863918 544918815 /nfs/dbraw/zinc/91/88/15/544918815.db2.gz QJJBYMZTUMCNSC-RSPOEFSDSA-N 2 1 316.489 2.990 20 0 DFADMP CO[C@@H]1CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954002 544933537 /nfs/dbraw/zinc/93/35/37/544933537.db2.gz OBHIYUBYBUGDBY-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954002 544933540 /nfs/dbraw/zinc/93/35/40/544933540.db2.gz OBHIYUBYBUGDBY-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954002 544933542 /nfs/dbraw/zinc/93/35/42/544933542.db2.gz OBHIYUBYBUGDBY-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP Cc1cc(C)cc(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000067448840 425910387 /nfs/dbraw/zinc/91/03/87/425910387.db2.gz AUPDEYSUAIBBOX-OAQYLSRUSA-N 2 1 324.468 2.812 20 0 DFADMP Cc1cc(C)cc(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000067448840 425910388 /nfs/dbraw/zinc/91/03/88/425910388.db2.gz AUPDEYSUAIBBOX-OAQYLSRUSA-N 2 1 324.468 2.812 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000155757172 425926729 /nfs/dbraw/zinc/92/67/29/425926729.db2.gz AQYCRVUCXZJIBU-SDADXPQNSA-N 2 1 323.506 2.621 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC2OCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000124584904 425927743 /nfs/dbraw/zinc/92/77/43/425927743.db2.gz ZEQQVPHPWOQRMJ-WMZOPIPTSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC2OCCO2)CC[N@H+]1Cc1ccccc1 ZINC000124584904 425927744 /nfs/dbraw/zinc/92/77/44/425927744.db2.gz ZEQQVPHPWOQRMJ-WMZOPIPTSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCC2OCCO2)CC[NH+]1Cc1ccccc1 ZINC000124584904 425927746 /nfs/dbraw/zinc/92/77/46/425927746.db2.gz ZEQQVPHPWOQRMJ-WMZOPIPTSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCC2OCCO2)CC[NH+]1Cc1ccccc1 ZINC000124584904 425927748 /nfs/dbraw/zinc/92/77/48/425927748.db2.gz ZEQQVPHPWOQRMJ-WMZOPIPTSA-N 2 1 318.461 2.734 20 0 DFADMP COC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156962795 425937039 /nfs/dbraw/zinc/93/70/39/425937039.db2.gz JJOILZMNCOXNSQ-FUHWJXTLSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000156962795 425937043 /nfs/dbraw/zinc/93/70/43/425937043.db2.gz JJOILZMNCOXNSQ-FUHWJXTLSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156962795 425937045 /nfs/dbraw/zinc/93/70/45/425937045.db2.gz JJOILZMNCOXNSQ-FUHWJXTLSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000156962795 425937046 /nfs/dbraw/zinc/93/70/46/425937046.db2.gz JJOILZMNCOXNSQ-FUHWJXTLSA-N 2 1 318.461 2.925 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2ccc(Br)cc2F)CC1 ZINC000035285048 425843769 /nfs/dbraw/zinc/84/37/69/425843769.db2.gz DZINHEFRSNSFNK-UHFFFAOYSA-N 2 1 301.203 2.759 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000044534095 425856691 /nfs/dbraw/zinc/85/66/91/425856691.db2.gz NEYPXMKHBGPBBR-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000044534095 425856692 /nfs/dbraw/zinc/85/66/92/425856692.db2.gz NEYPXMKHBGPBBR-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000044533911 425856745 /nfs/dbraw/zinc/85/67/45/425856745.db2.gz CFHKEHRDUIRNFJ-GFCCVEGCSA-N 2 1 310.825 2.543 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000044533911 425856746 /nfs/dbraw/zinc/85/67/46/425856746.db2.gz CFHKEHRDUIRNFJ-GFCCVEGCSA-N 2 1 310.825 2.543 20 0 DFADMP [NH3+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)c(Cl)c2)CC1 ZINC000044513599 425856839 /nfs/dbraw/zinc/85/68/39/425856839.db2.gz WKEHNHXWRCXHPZ-UHFFFAOYSA-N 2 1 316.232 2.603 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+]Cc3cocn3)CC2)cs1 ZINC000192311417 268031302 /nfs/dbraw/zinc/03/13/02/268031302.db2.gz UANGMVYAEQVAAG-UHFFFAOYSA-N 2 1 320.462 2.695 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000192447612 268036252 /nfs/dbraw/zinc/03/62/52/268036252.db2.gz HOAWIOJSNXMQNK-ORBLRFAASA-N 2 1 322.493 2.961 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CC1 ZINC000192443829 268037098 /nfs/dbraw/zinc/03/70/98/268037098.db2.gz DFFQKBHAWJAMAS-JCYILVPMSA-N 2 1 308.466 2.572 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CC1 ZINC000192443829 268037100 /nfs/dbraw/zinc/03/71/00/268037100.db2.gz DFFQKBHAWJAMAS-JCYILVPMSA-N 2 1 308.466 2.572 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccc(O)c1 ZINC000194932128 268121352 /nfs/dbraw/zinc/12/13/52/268121352.db2.gz GMAPOJKXGTYANO-KYNGSXCRSA-N 2 1 318.461 2.811 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000222919648 268140530 /nfs/dbraw/zinc/14/05/30/268140530.db2.gz HUZJINMMRYQJTB-CABCVRRESA-N 2 1 311.470 2.506 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000237899196 268161426 /nfs/dbraw/zinc/16/14/26/268161426.db2.gz OSKVMNBUCYTFKT-KZNAEPCWSA-N 2 1 321.509 2.665 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)C[NH+]1CCC(C[NH3+])CC1 ZINC000260625854 268168511 /nfs/dbraw/zinc/16/85/11/268168511.db2.gz UBKCZBOUUJJBMJ-UHFFFAOYSA-N 2 1 303.450 2.728 20 0 DFADMP CC[N@H+](CCCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000269131734 268188528 /nfs/dbraw/zinc/18/85/28/268188528.db2.gz LUBHHWBDFIWAQT-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP CC[N@@H+](CCCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000269131734 268188530 /nfs/dbraw/zinc/18/85/30/268188530.db2.gz LUBHHWBDFIWAQT-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)[nH+]1 ZINC000270850693 268226494 /nfs/dbraw/zinc/22/64/94/268226494.db2.gz XTMWRUFRXBSGQQ-QKYXUNIQSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3Cc4ccccc4[C@H]3O)C2)[nH+]1 ZINC000270850693 268226497 /nfs/dbraw/zinc/22/64/97/268226497.db2.gz XTMWRUFRXBSGQQ-QKYXUNIQSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1ccccc1NC(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047972377 425872579 /nfs/dbraw/zinc/87/25/79/425872579.db2.gz PXGKBTQYNZOCND-UHFFFAOYSA-N 2 1 315.461 2.741 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000272900182 268253539 /nfs/dbraw/zinc/25/35/39/268253539.db2.gz BIJBXGATXDRKJA-RDJZCZTQSA-N 2 1 306.450 2.501 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000277599605 268265434 /nfs/dbraw/zinc/26/54/34/268265434.db2.gz ONDKGUFBSWBPPO-ZFWWWQNUSA-N 2 1 312.417 2.755 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N2CCCC2)n1 ZINC000289761174 268281704 /nfs/dbraw/zinc/28/17/04/268281704.db2.gz LPTGQGSWVUGUDE-QZTJIDSGSA-N 2 1 314.477 2.707 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N2CCCC2)n1 ZINC000289761174 268281707 /nfs/dbraw/zinc/28/17/07/268281707.db2.gz LPTGQGSWVUGUDE-QZTJIDSGSA-N 2 1 314.477 2.707 20 0 DFADMP CCc1cc(NC[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000307774121 268334000 /nfs/dbraw/zinc/33/40/00/268334000.db2.gz RBWUHXPIIWKAPZ-IBGZPJMESA-N 2 1 311.429 2.957 20 0 DFADMP CCc1cc(NC[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000307774121 268334001 /nfs/dbraw/zinc/33/40/01/268334001.db2.gz RBWUHXPIIWKAPZ-IBGZPJMESA-N 2 1 311.429 2.957 20 0 DFADMP CC(C)(C)OC(=O)NC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000310024960 268337182 /nfs/dbraw/zinc/33/71/82/268337182.db2.gz UFFHXXKYUFLQGN-INIZCTEOSA-N 2 1 323.481 2.506 20 0 DFADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313361454 268339706 /nfs/dbraw/zinc/33/97/06/268339706.db2.gz UJMMYTGJPKKXMB-BXUZGUMPSA-N 2 1 318.339 2.696 20 0 DFADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313361454 268339708 /nfs/dbraw/zinc/33/97/08/268339708.db2.gz UJMMYTGJPKKXMB-BXUZGUMPSA-N 2 1 318.339 2.696 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000315260599 268342588 /nfs/dbraw/zinc/34/25/88/268342588.db2.gz DJVSJKMIYUMUBK-CYBMUJFWSA-N 2 1 324.852 2.933 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000315260599 268342589 /nfs/dbraw/zinc/34/25/89/268342589.db2.gz DJVSJKMIYUMUBK-CYBMUJFWSA-N 2 1 324.852 2.933 20 0 DFADMP CC(C)[N@H+](Cc1cccs1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315694351 268343654 /nfs/dbraw/zinc/34/36/54/268343654.db2.gz FAKRXCHMZBWYQT-ROUUACIJSA-N 2 1 318.486 2.889 20 0 DFADMP CON1CCC([NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000323476842 268350263 /nfs/dbraw/zinc/35/02/63/268350263.db2.gz KZSOUEYSDCWUHY-SJLPKXTDSA-N 2 1 317.477 2.512 20 0 DFADMP COCCOc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000107317476 425988911 /nfs/dbraw/zinc/98/89/11/425988911.db2.gz LDJCYFJCAGUDSZ-OAHLLOKOSA-N 2 1 317.433 2.643 20 0 DFADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1C[NH3+] ZINC000070178320 425970477 /nfs/dbraw/zinc/97/04/77/425970477.db2.gz KAXUKGRMDGVWLR-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@@H]1C[NH3+] ZINC000070178320 425970480 /nfs/dbraw/zinc/97/04/80/425970480.db2.gz KAXUKGRMDGVWLR-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000070189666 425970631 /nfs/dbraw/zinc/97/06/31/425970631.db2.gz JJVHQDYYEWKLJR-UHFFFAOYSA-N 2 1 306.435 2.620 20 0 DFADMP C[N@@H+](Cc1cc(Br)cs1)C[C@@H]1CC[NH+](C)C1 ZINC000070822993 425976187 /nfs/dbraw/zinc/97/61/87/425976187.db2.gz WFTIUHSJLTZJIV-SNVBAGLBSA-N 2 1 303.269 2.894 20 0 DFADMP C[N@H+](Cc1cc(Br)cs1)C[C@@H]1CC[NH+](C)C1 ZINC000070822993 425976189 /nfs/dbraw/zinc/97/61/89/425976189.db2.gz WFTIUHSJLTZJIV-SNVBAGLBSA-N 2 1 303.269 2.894 20 0 DFADMP C[NH+](Cc1cc(Br)cs1)C[C@@H]1CC[N@H+](C)C1 ZINC000070822993 425976192 /nfs/dbraw/zinc/97/61/92/425976192.db2.gz WFTIUHSJLTZJIV-SNVBAGLBSA-N 2 1 303.269 2.894 20 0 DFADMP C[NH+](Cc1cc(Br)cs1)C[C@@H]1CC[N@@H+](C)C1 ZINC000070822993 425976194 /nfs/dbraw/zinc/97/61/94/425976194.db2.gz WFTIUHSJLTZJIV-SNVBAGLBSA-N 2 1 303.269 2.894 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[NH+](C)C ZINC000126567534 426026272 /nfs/dbraw/zinc/02/62/72/426026272.db2.gz ZWYHKLXEBAXYRQ-GUYCJALGSA-N 2 1 314.433 2.698 20 0 DFADMP CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000161665524 426033888 /nfs/dbraw/zinc/03/38/88/426033888.db2.gz HABVWHPPCWYCHD-OHFALNGGSA-N 2 1 321.465 2.785 20 0 DFADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000161665785 426034066 /nfs/dbraw/zinc/03/40/66/426034066.db2.gz HABVWHPPCWYCHD-WTTBNOFXSA-N 2 1 321.465 2.785 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000126792462 426035948 /nfs/dbraw/zinc/03/59/48/426035948.db2.gz NCTIZUSWRQWTFO-HRCADAONSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000126792462 426035949 /nfs/dbraw/zinc/03/59/49/426035949.db2.gz NCTIZUSWRQWTFO-HRCADAONSA-N 2 1 308.491 2.975 20 0 DFADMP CCC[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000126862778 426039616 /nfs/dbraw/zinc/03/96/16/426039616.db2.gz XZNVIYLWOIYTDO-AEFFLSMTSA-N 2 1 319.493 2.744 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)n2)[C@H](C)C1 ZINC000127243608 426057514 /nfs/dbraw/zinc/05/75/14/426057514.db2.gz FABOLXKIJLWYKU-CRAIPNDOSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)n2)[C@H](C)C1 ZINC000127243608 426057518 /nfs/dbraw/zinc/05/75/18/426057518.db2.gz FABOLXKIJLWYKU-CRAIPNDOSA-N 2 1 305.466 2.617 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162634106 426070548 /nfs/dbraw/zinc/07/05/48/426070548.db2.gz GFLGSJVVUBXSOK-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000162634106 426070550 /nfs/dbraw/zinc/07/05/50/426070550.db2.gz GFLGSJVVUBXSOK-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861296 426088321 /nfs/dbraw/zinc/08/83/21/426088321.db2.gz QJONVRXCSIBDTB-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000075861296 426088325 /nfs/dbraw/zinc/08/83/25/426088325.db2.gz QJONVRXCSIBDTB-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000075861296 426088329 /nfs/dbraw/zinc/08/83/29/426088329.db2.gz QJONVRXCSIBDTB-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000075861296 426088331 /nfs/dbraw/zinc/08/83/31/426088331.db2.gz QJONVRXCSIBDTB-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000076001276 426092192 /nfs/dbraw/zinc/09/21/92/426092192.db2.gz HDIWVGYVBKJJRO-INIZCTEOSA-N 2 1 304.434 2.637 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000076001276 426092195 /nfs/dbraw/zinc/09/21/95/426092195.db2.gz HDIWVGYVBKJJRO-INIZCTEOSA-N 2 1 304.434 2.637 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)N(C)CCCn1cc[nH+]c1C ZINC000163200248 426092292 /nfs/dbraw/zinc/09/22/92/426092292.db2.gz ORTKDZZBWSZQRZ-QGZVFWFLSA-N 2 1 315.417 2.736 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC000112918567 426097816 /nfs/dbraw/zinc/09/78/16/426097816.db2.gz VGGZMDJXUHMHKD-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC000112918567 426097819 /nfs/dbraw/zinc/09/78/19/426097819.db2.gz VGGZMDJXUHMHKD-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCCC[N@H+]2CC)CC1 ZINC000112918567 426097822 /nfs/dbraw/zinc/09/78/22/426097822.db2.gz VGGZMDJXUHMHKD-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)C1CCCCC1 ZINC000128065788 426099963 /nfs/dbraw/zinc/09/99/63/426099963.db2.gz GVSUZWVDCIBOKA-NUJGCVRESA-N 2 1 323.525 2.768 20 0 DFADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1cnn(C)c1 ZINC000128081119 426101286 /nfs/dbraw/zinc/10/12/86/426101286.db2.gz SZHOQRQKADIVPL-KRWDZBQOSA-N 2 1 313.449 2.833 20 0 DFADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)[C@@H]1CCOC1 ZINC000128207569 426106717 /nfs/dbraw/zinc/10/67/17/426106717.db2.gz AYGUEUXAJPKUMF-NVXWUHKLSA-N 2 1 303.450 2.764 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000164575466 426116256 /nfs/dbraw/zinc/11/62/56/426116256.db2.gz AAWHNEWITDXDRP-CABCVRRESA-N 2 1 303.450 2.713 20 0 DFADMP CC[C@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000164840461 426118141 /nfs/dbraw/zinc/11/81/41/426118141.db2.gz RRKSAPWGIXHVFE-DAYGRLMNSA-N 2 1 317.477 2.518 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC000165329694 426122175 /nfs/dbraw/zinc/12/21/75/426122175.db2.gz IDLCDQKPUQEHLV-OALUTQOASA-N 2 1 304.478 2.812 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128652409 426126742 /nfs/dbraw/zinc/12/67/42/426126742.db2.gz DNSUEOXOWDVUNM-QGZVFWFLSA-N 2 1 319.493 2.764 20 0 DFADMP Cc1nccn1CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000127613755 426076879 /nfs/dbraw/zinc/07/68/79/426076879.db2.gz NZWHGUVCTLHUNO-IBGZPJMESA-N 2 1 313.445 2.855 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000127613755 426076882 /nfs/dbraw/zinc/07/68/82/426076882.db2.gz NZWHGUVCTLHUNO-IBGZPJMESA-N 2 1 313.445 2.855 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000127613755 426076885 /nfs/dbraw/zinc/07/68/85/426076885.db2.gz NZWHGUVCTLHUNO-IBGZPJMESA-N 2 1 313.445 2.855 20 0 DFADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000075677010 426081484 /nfs/dbraw/zinc/08/14/84/426081484.db2.gz MJSJYQFSEHXVQG-KRWDZBQOSA-N 2 1 310.482 2.772 20 0 DFADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000075677010 426081486 /nfs/dbraw/zinc/08/14/86/426081486.db2.gz MJSJYQFSEHXVQG-KRWDZBQOSA-N 2 1 310.482 2.772 20 0 DFADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000075713657 426081585 /nfs/dbraw/zinc/08/15/85/426081585.db2.gz BDXNGLWWNZSTTK-KRWDZBQOSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000075713657 426081588 /nfs/dbraw/zinc/08/15/88/426081588.db2.gz BDXNGLWWNZSTTK-KRWDZBQOSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000075713655 426081798 /nfs/dbraw/zinc/08/17/98/426081798.db2.gz BDXNGLWWNZSTTK-QGZVFWFLSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000075713655 426081800 /nfs/dbraw/zinc/08/18/00/426081800.db2.gz BDXNGLWWNZSTTK-QGZVFWFLSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000127762722 426084748 /nfs/dbraw/zinc/08/47/48/426084748.db2.gz XAYKGQKMUMZFIY-QFBILLFUSA-N 2 1 300.446 2.976 20 0 DFADMP CC[NH+](C/C=C/C[N@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000114726035 426142420 /nfs/dbraw/zinc/14/24/20/426142420.db2.gz OTQQIHSDVNGQOU-ZBKUBXTQSA-N 2 1 310.482 2.544 20 0 DFADMP Cc1ccc(N2CCC(C(=O)Nc3ccc(C[NH3+])cc3)CC2)[nH+]c1 ZINC000131110385 426163763 /nfs/dbraw/zinc/16/37/63/426163763.db2.gz PPKPJPHEEFPKGN-UHFFFAOYSA-N 2 1 324.428 2.704 20 0 DFADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cc1ccccc1 ZINC000078624744 426178722 /nfs/dbraw/zinc/17/87/22/426178722.db2.gz WDFRWHHZJRKPHL-OAQYLSRUSA-N 2 1 324.468 2.844 20 0 DFADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000134139371 426185151 /nfs/dbraw/zinc/18/51/51/426185151.db2.gz YPLXNKATQQYDLA-KZNAEPCWSA-N 2 1 321.509 2.511 20 0 DFADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000134139371 426185152 /nfs/dbraw/zinc/18/51/52/426185152.db2.gz YPLXNKATQQYDLA-KZNAEPCWSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1 ZINC000116396159 426188703 /nfs/dbraw/zinc/18/87/03/426188703.db2.gz USACVRFZFUZHTC-GDBMZVCRSA-N 2 1 305.466 2.970 20 0 DFADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCCCCC1 ZINC000116397233 426189244 /nfs/dbraw/zinc/18/92/44/426189244.db2.gz VUPLKVMZLQANCH-HZPDHXFCSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134927683 426199599 /nfs/dbraw/zinc/19/95/99/426199599.db2.gz WOQIXICFMISRIV-MISYRCLQSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000134927683 426199603 /nfs/dbraw/zinc/19/96/03/426199603.db2.gz WOQIXICFMISRIV-MISYRCLQSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000134927683 426199606 /nfs/dbraw/zinc/19/96/06/426199606.db2.gz WOQIXICFMISRIV-MISYRCLQSA-N 2 1 314.473 2.977 20 0 DFADMP C(CC[NH+]1CCOCC12CCC2)CC[N@H+]1CCOCC12CCC2 ZINC000135498720 426220691 /nfs/dbraw/zinc/22/06/91/426220691.db2.gz CYOATGNFFAQNIN-UHFFFAOYSA-N 2 1 322.493 2.667 20 0 DFADMP CCc1noc(C)c1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000119003921 426254825 /nfs/dbraw/zinc/25/48/25/426254825.db2.gz SWKDZADUGHZACX-UHFFFAOYSA-N 2 1 302.422 2.734 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000119101449 426262527 /nfs/dbraw/zinc/26/25/27/426262527.db2.gz XVZXXVMGTVPMBD-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119101449 426262530 /nfs/dbraw/zinc/26/25/30/426262530.db2.gz XVZXXVMGTVPMBD-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119101449 426262532 /nfs/dbraw/zinc/26/25/32/426262532.db2.gz XVZXXVMGTVPMBD-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000119101449 426262535 /nfs/dbraw/zinc/26/25/35/426262535.db2.gz XVZXXVMGTVPMBD-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000119101449 426262537 /nfs/dbraw/zinc/26/25/37/426262537.db2.gz XVZXXVMGTVPMBD-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903539 426268291 /nfs/dbraw/zinc/26/82/91/426268291.db2.gz NHEWQIQGCLMXTQ-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174903539 426268294 /nfs/dbraw/zinc/26/82/94/426268294.db2.gz NHEWQIQGCLMXTQ-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000117340474 426212365 /nfs/dbraw/zinc/21/23/65/426212365.db2.gz PUGVNRIAHJOPRV-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000117340474 426212368 /nfs/dbraw/zinc/21/23/68/426212368.db2.gz PUGVNRIAHJOPRV-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135331378 426214692 /nfs/dbraw/zinc/21/46/92/426214692.db2.gz UDFFDYXWFBKARI-YJBOKZPZSA-N 2 1 321.509 2.630 20 0 DFADMP Cn1ncc(C[NH+]2CCC(CC[NH+](C)C)CC2)c1C(F)(F)F ZINC000151574038 426303136 /nfs/dbraw/zinc/30/31/36/426303136.db2.gz WXEBQAYFMJPCCQ-UHFFFAOYSA-N 2 1 318.387 2.603 20 0 DFADMP CC(C)[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000151892368 426318027 /nfs/dbraw/zinc/31/80/27/426318027.db2.gz DUOSIYUMEMNATO-PKOBYXMFSA-N 2 1 303.494 2.999 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000121049537 426321187 /nfs/dbraw/zinc/32/11/87/426321187.db2.gz DSUSXMYXXBJAHM-GOSISDBHSA-N 2 1 312.461 2.909 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000121049537 426321190 /nfs/dbraw/zinc/32/11/90/426321190.db2.gz DSUSXMYXXBJAHM-GOSISDBHSA-N 2 1 312.461 2.909 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000121242016 426328806 /nfs/dbraw/zinc/32/88/06/426328806.db2.gz VXTUSAZGAZKAIE-GRDNDAEWSA-N 2 1 300.450 2.663 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000090585242 426329660 /nfs/dbraw/zinc/32/96/60/426329660.db2.gz DGCWDIYOAZSEMM-NVXWUHKLSA-N 2 1 304.482 2.755 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000089150238 426281901 /nfs/dbraw/zinc/28/19/01/426281901.db2.gz DHXBRUVOSVLVTE-ZANVPECISA-N 2 1 301.203 2.805 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000122800682 426394724 /nfs/dbraw/zinc/39/47/24/426394724.db2.gz ZKWDDOAEHLNQMO-RTBURBONSA-N 2 1 302.462 2.840 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000122800682 426394728 /nfs/dbraw/zinc/39/47/28/426394728.db2.gz ZKWDDOAEHLNQMO-RTBURBONSA-N 2 1 302.462 2.840 20 0 DFADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000122800411 426394974 /nfs/dbraw/zinc/39/49/74/426394974.db2.gz ZKWDDOAEHLNQMO-MOPGFXCFSA-N 2 1 302.462 2.840 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCOC1 ZINC000122800411 426394977 /nfs/dbraw/zinc/39/49/77/426394977.db2.gz ZKWDDOAEHLNQMO-MOPGFXCFSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122855752 426398508 /nfs/dbraw/zinc/39/85/08/426398508.db2.gz NJDQUUKENZBQPY-HNNXBMFYSA-N 2 1 309.885 2.970 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@H](C)C1 ZINC000121492418 426346592 /nfs/dbraw/zinc/34/65/92/426346592.db2.gz VJZJJRLEVKAFEI-AEFFLSMTSA-N 2 1 301.478 2.759 20 0 DFADMP CC1CCC(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000093148365 426355165 /nfs/dbraw/zinc/35/51/65/426355165.db2.gz ZKDWJCKFTDHYCQ-CTWPCTMYSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000153221818 426376092 /nfs/dbraw/zinc/37/60/92/426376092.db2.gz UQQHGMHULMXZKL-MRXNPFEDSA-N 2 1 315.461 2.964 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCC(=O)Nc2ccccc2)CC1 ZINC000153221818 426376095 /nfs/dbraw/zinc/37/60/95/426376095.db2.gz UQQHGMHULMXZKL-MRXNPFEDSA-N 2 1 315.461 2.964 20 0 DFADMP C[C@@H]1C[C@H](NCc2ccnc(OC3CCCC3)c2)CC[N@H+]1C ZINC000153333638 426380246 /nfs/dbraw/zinc/38/02/46/426380246.db2.gz IOYCAXGECWTCIQ-GDBMZVCRSA-N 2 1 303.450 2.975 20 0 DFADMP COC[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC000153492177 426388796 /nfs/dbraw/zinc/38/87/96/426388796.db2.gz PKTMBTXTGPBYKO-APWZRJJASA-N 2 1 320.477 2.668 20 0 DFADMP COC[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)C(C)C ZINC000153492177 426388798 /nfs/dbraw/zinc/38/87/98/426388798.db2.gz PKTMBTXTGPBYKO-APWZRJJASA-N 2 1 320.477 2.668 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123106046 426414004 /nfs/dbraw/zinc/41/40/04/426414004.db2.gz JPBQATXCEQDLFV-DBVUQKKJSA-N 2 1 315.505 2.753 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CCN(C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123106046 426414008 /nfs/dbraw/zinc/41/40/08/426414008.db2.gz JPBQATXCEQDLFV-DBVUQKKJSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)CC[N@@H+]1C ZINC000123206779 426420181 /nfs/dbraw/zinc/42/01/81/426420181.db2.gz NIIKIZRRDLRNGS-UONOGXRCSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)CC[N@H+]1C ZINC000123206779 426420185 /nfs/dbraw/zinc/42/01/85/426420185.db2.gz NIIKIZRRDLRNGS-UONOGXRCSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccccc2F)CC[NH+]1C ZINC000123206779 426420189 /nfs/dbraw/zinc/42/01/89/426420189.db2.gz NIIKIZRRDLRNGS-UONOGXRCSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)CC[NH+]1C ZINC000123206779 426420192 /nfs/dbraw/zinc/42/01/92/426420192.db2.gz NIIKIZRRDLRNGS-UONOGXRCSA-N 2 1 307.413 2.569 20 0 DFADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000154252645 426432639 /nfs/dbraw/zinc/43/26/39/426432639.db2.gz VIFJOJSXZJWDDI-WMZOPIPTSA-N 2 1 308.466 2.685 20 0 DFADMP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154323449 426436200 /nfs/dbraw/zinc/43/62/00/426436200.db2.gz VPVXRZQMEWUFLG-DOMZBBRYSA-N 2 1 318.383 2.539 20 0 DFADMP CC(C)Cc1noc(C[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000123529388 426439778 /nfs/dbraw/zinc/43/97/78/426439778.db2.gz VVQYOQQCSNGSBC-UHFFFAOYSA-N 2 1 308.470 2.822 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000340698428 269000988 /nfs/dbraw/zinc/00/09/88/269000988.db2.gz OUYWQBGIXIOBOE-RDTXWAMCSA-N 2 1 306.425 2.698 20 0 DFADMP CCc1ccc(C[NH+]2CCN(CC[C@H]3CCC[N@H+]3C)CC2)s1 ZINC000124251610 426477293 /nfs/dbraw/zinc/47/72/93/426477293.db2.gz VERFZZKXYLIDCD-MRXNPFEDSA-N 2 1 321.534 2.912 20 0 DFADMP Cc1cccc(-c2noc(C[N@@H+](C)CCCn3ccnc3)n2)c1 ZINC000124287054 426478350 /nfs/dbraw/zinc/47/83/50/426478350.db2.gz JRMOQHTUGCHCQV-UHFFFAOYSA-N 2 1 311.389 2.764 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000098143823 426480430 /nfs/dbraw/zinc/48/04/30/426480430.db2.gz ONVIRLJTRYCRMW-PKOBYXMFSA-N 2 1 320.477 2.829 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000098144101 426480648 /nfs/dbraw/zinc/48/06/48/426480648.db2.gz NYMHQTBGORYEAH-WMZOPIPTSA-N 2 1 320.477 2.829 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000124376229 426482293 /nfs/dbraw/zinc/48/22/93/426482293.db2.gz UNPYQEHDVARDOD-KBPBESRZSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000124376229 426482295 /nfs/dbraw/zinc/48/22/95/426482295.db2.gz UNPYQEHDVARDOD-KBPBESRZSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101639509 426485575 /nfs/dbraw/zinc/48/55/75/426485575.db2.gz HOSVSTHAZHXAHR-XHSDSOJGSA-N 2 1 317.477 2.626 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000195287332 426510858 /nfs/dbraw/zinc/51/08/58/426510858.db2.gz KGFQMMLBZKIMQR-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750968 426514037 /nfs/dbraw/zinc/51/40/37/426514037.db2.gz FXYUVGSABASKPQ-YCPHGPKFSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750968 426514039 /nfs/dbraw/zinc/51/40/39/426514039.db2.gz FXYUVGSABASKPQ-YCPHGPKFSA-N 2 1 317.433 2.777 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2cccc(OCC(F)(F)F)c2)CC1 ZINC000280294699 426541489 /nfs/dbraw/zinc/54/14/89/426541489.db2.gz OKOSNCXOPNYFCT-UHFFFAOYSA-N 2 1 316.367 2.854 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000177963463 426547900 /nfs/dbraw/zinc/54/79/00/426547900.db2.gz OSDURXYKQBWION-SQWLQELKSA-N 2 1 306.450 2.707 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000177963463 426547905 /nfs/dbraw/zinc/54/79/05/426547905.db2.gz OSDURXYKQBWION-SQWLQELKSA-N 2 1 306.450 2.707 20 0 DFADMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321279 426503905 /nfs/dbraw/zinc/50/39/05/426503905.db2.gz PHJNUMVRIASZEV-GFIVTLFCSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@H](N[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321279 426503909 /nfs/dbraw/zinc/50/39/09/426503909.db2.gz PHJNUMVRIASZEV-GFIVTLFCSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000186729222 426586435 /nfs/dbraw/zinc/58/64/35/426586435.db2.gz XCPLCVGKGMIGHG-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1ccccc1 ZINC000186781000 426593065 /nfs/dbraw/zinc/59/30/65/426593065.db2.gz ZLUBYXSVKHNLLO-GOSISDBHSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCCN(C(=O)C(C)C)CC1 ZINC000289181821 426598183 /nfs/dbraw/zinc/59/81/83/426598183.db2.gz SVXRDHKSMMHZEX-UHFFFAOYSA-N 2 1 303.450 2.513 20 0 DFADMP OCCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280553755 426598933 /nfs/dbraw/zinc/59/89/33/426598933.db2.gz ULXQPFGKHQIOEJ-KDURUIRLSA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280553755 426598938 /nfs/dbraw/zinc/59/89/38/426598938.db2.gz ULXQPFGKHQIOEJ-KDURUIRLSA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280553755 426598941 /nfs/dbraw/zinc/59/89/41/426598941.db2.gz ULXQPFGKHQIOEJ-KDURUIRLSA-N 2 1 302.462 2.603 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CNC1CC[NH+](C)CC1)C1CC1 ZINC000186880489 426603003 /nfs/dbraw/zinc/60/30/03/426603003.db2.gz GJOPAJJRKOLHIC-LJQANCHMSA-N 2 1 301.478 2.581 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186946749 426611099 /nfs/dbraw/zinc/61/10/99/426611099.db2.gz KRUUJEDPFZQPOR-SFHVURJKSA-N 2 1 320.452 2.679 20 0 DFADMP C([NH+]1CCCC2(CC2)C1)C1(C[N@H+]2CCCC3(CC3)C2)COC1 ZINC000186981068 426616517 /nfs/dbraw/zinc/61/65/17/426616517.db2.gz PEHQELMKYJKKTP-UHFFFAOYSA-N 2 1 304.478 2.755 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000178040140 426561443 /nfs/dbraw/zinc/56/14/43/426561443.db2.gz JIIXRNJXOTYWIX-OWCLPIDISA-N 2 1 312.498 2.812 20 0 DFADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000178469084 426634193 /nfs/dbraw/zinc/63/41/93/426634193.db2.gz IJBAEDKICPOTKY-HIFRSBDPSA-N 2 1 323.506 2.911 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000289365975 426639029 /nfs/dbraw/zinc/63/90/29/426639029.db2.gz ZRWHGRQXYXBOPY-WBMJQRKESA-N 2 1 304.409 2.896 20 0 DFADMP CCN(C[C@H](O)C[N@@H+](C)C1CC1)[C@H](C)c1cccc(OC)c1 ZINC000290067854 426686463 /nfs/dbraw/zinc/68/64/63/426686463.db2.gz TWYVCROHFKQMRZ-RHSMWYFYSA-N 2 1 306.450 2.533 20 0 DFADMP CC[N@H+](C[C@H](O)CN(C)C1CC1)[C@H](C)c1cccc(OC)c1 ZINC000290067854 426686469 /nfs/dbraw/zinc/68/64/69/426686469.db2.gz TWYVCROHFKQMRZ-RHSMWYFYSA-N 2 1 306.450 2.533 20 0 DFADMP CC[N@@H+](C[C@H](O)CN(C)C1CC1)[C@H](C)c1cccc(OC)c1 ZINC000290067854 426686473 /nfs/dbraw/zinc/68/64/73/426686473.db2.gz TWYVCROHFKQMRZ-RHSMWYFYSA-N 2 1 306.450 2.533 20 0 DFADMP CCCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289408273 426650619 /nfs/dbraw/zinc/65/06/19/426650619.db2.gz UKRGHUSZCZGEMJ-IEBWSBKVSA-N 2 1 320.477 2.971 20 0 DFADMP CCCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289408273 426650623 /nfs/dbraw/zinc/65/06/23/426650623.db2.gz UKRGHUSZCZGEMJ-IEBWSBKVSA-N 2 1 320.477 2.971 20 0 DFADMP Cc1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1F ZINC000289460441 426663937 /nfs/dbraw/zinc/66/39/37/426663937.db2.gz OIVVWECJRNYCHR-UHFFFAOYSA-N 2 1 307.457 2.592 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@]1(C)CCCC[NH2+]1 ZINC000236655898 426670332 /nfs/dbraw/zinc/67/03/32/426670332.db2.gz SFNMAILSCRFBLP-LJQANCHMSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)[C@@H](C[NH2+]Cc1ccc([C@@H]2C[C@@H]2C)o1)N1CC[NH+](C)CC1 ZINC000236704223 426679273 /nfs/dbraw/zinc/67/92/73/426679273.db2.gz KRIKIKXQJKPKDS-CGTJXYLNSA-N 2 1 319.493 2.765 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000280902576 426681637 /nfs/dbraw/zinc/68/16/37/426681637.db2.gz FWLCDINNGMFXRQ-AZUAARDMSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000280902576 426681639 /nfs/dbraw/zinc/68/16/39/426681639.db2.gz FWLCDINNGMFXRQ-AZUAARDMSA-N 2 1 313.489 2.749 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236767671 426683795 /nfs/dbraw/zinc/68/37/95/426683795.db2.gz ZFFZQPYGPMZDFI-QAPCUYQASA-N 2 1 317.477 2.518 20 0 DFADMP C[C@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000289302582 426623622 /nfs/dbraw/zinc/62/36/22/426623622.db2.gz CXNSPUPQBNPXMQ-GWCFXTLKSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)CN(C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000289302582 426623625 /nfs/dbraw/zinc/62/36/25/426623625.db2.gz CXNSPUPQBNPXMQ-GWCFXTLKSA-N 2 1 300.805 2.585 20 0 DFADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000178754901 426689291 /nfs/dbraw/zinc/68/92/91/426689291.db2.gz PVGXDIDORFXDHG-CQSZACIVSA-N 2 1 313.449 2.752 20 0 DFADMP [NH3+][C@H]1CCC[C@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000238033620 426705317 /nfs/dbraw/zinc/70/53/17/426705317.db2.gz RWDLGZZBMOIWAR-ROUUACIJSA-N 2 1 321.509 2.619 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](COC)C2CCOCC2)c1 ZINC000187961862 426710435 /nfs/dbraw/zinc/71/04/35/426710435.db2.gz BTGBBBSFTZEMTC-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000187998120 426714590 /nfs/dbraw/zinc/71/45/90/426714590.db2.gz ZQFOZLNKWLNPTI-GDBMZVCRSA-N 2 1 321.896 2.770 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000281333508 426715328 /nfs/dbraw/zinc/71/53/28/426715328.db2.gz AYTOSBUMDOHQIC-SJCJKPOMSA-N 2 1 315.392 2.913 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000281333508 426715331 /nfs/dbraw/zinc/71/53/31/426715331.db2.gz AYTOSBUMDOHQIC-SJCJKPOMSA-N 2 1 315.392 2.913 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237516665 426692415 /nfs/dbraw/zinc/69/24/15/426692415.db2.gz XZAMSJKPMYJAIV-KYHPRHEASA-N 2 1 317.477 2.559 20 0 DFADMP COCc1cccc(CN2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000179200759 426767266 /nfs/dbraw/zinc/76/72/66/426767266.db2.gz HSKMBIDUPPAGRK-INIZCTEOSA-N 2 1 318.461 2.518 20 0 DFADMP COCc1cccc(CN2CCC([N@H+]3CCO[C@@H](C)C3)CC2)c1 ZINC000179200759 426767270 /nfs/dbraw/zinc/76/72/70/426767270.db2.gz HSKMBIDUPPAGRK-INIZCTEOSA-N 2 1 318.461 2.518 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000245766621 426770316 /nfs/dbraw/zinc/77/03/16/426770316.db2.gz WMGSKQVVUIEXJX-LDLYASANSA-N 2 1 310.445 2.668 20 0 DFADMP Cc1nc(C[N@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)sc1C ZINC000179274428 426775848 /nfs/dbraw/zinc/77/58/48/426775848.db2.gz HTUCDKGBZSSBBF-CQSZACIVSA-N 2 1 304.463 2.948 20 0 DFADMP Cc1nc(C[N@@H+]2CCC[C@H](Cc3[nH+]ccn3C)C2)sc1C ZINC000179274428 426775852 /nfs/dbraw/zinc/77/58/52/426775852.db2.gz HTUCDKGBZSSBBF-CQSZACIVSA-N 2 1 304.463 2.948 20 0 DFADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245853434 426776181 /nfs/dbraw/zinc/77/61/81/426776181.db2.gz JRBWWXBUXVAICS-RDJZCZTQSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245853434 426776183 /nfs/dbraw/zinc/77/61/83/426776183.db2.gz JRBWWXBUXVAICS-RDJZCZTQSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245853434 426776185 /nfs/dbraw/zinc/77/61/85/426776185.db2.gz JRBWWXBUXVAICS-RDJZCZTQSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245853434 426776189 /nfs/dbraw/zinc/77/61/89/426776189.db2.gz JRBWWXBUXVAICS-RDJZCZTQSA-N 2 1 323.868 2.542 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178956101 426724882 /nfs/dbraw/zinc/72/48/82/426724882.db2.gz ZSFPQERLRMKYFR-KRWDZBQOSA-N 2 1 304.434 2.840 20 0 DFADMP CCN(CC)CC[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178979453 426730393 /nfs/dbraw/zinc/73/03/93/426730393.db2.gz GUPAJRRFEQQGOM-UHFFFAOYSA-N 2 1 303.494 2.830 20 0 DFADMP CC[NH+](CC)CCN(Cc1ccccc1)CC1CC[NH2+]CC1 ZINC000178979453 426730396 /nfs/dbraw/zinc/73/03/96/426730396.db2.gz GUPAJRRFEQQGOM-UHFFFAOYSA-N 2 1 303.494 2.830 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000290288730 426733214 /nfs/dbraw/zinc/73/32/14/426733214.db2.gz MQVDOLPGWFWASM-RDGPPVDQSA-N 2 1 300.446 2.666 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290290483 426734529 /nfs/dbraw/zinc/73/45/29/426734529.db2.gz AGRLHUGJRUPLNB-JKSUJKDBSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000290290483 426734534 /nfs/dbraw/zinc/73/45/34/426734534.db2.gz AGRLHUGJRUPLNB-JKSUJKDBSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000290290483 426734538 /nfs/dbraw/zinc/73/45/38/426734538.db2.gz AGRLHUGJRUPLNB-JKSUJKDBSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000290290481 426735325 /nfs/dbraw/zinc/73/53/25/426735325.db2.gz AGRLHUGJRUPLNB-HZPDHXFCSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000290290481 426735331 /nfs/dbraw/zinc/73/53/31/426735331.db2.gz AGRLHUGJRUPLNB-HZPDHXFCSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000290290481 426735336 /nfs/dbraw/zinc/73/53/36/426735336.db2.gz AGRLHUGJRUPLNB-HZPDHXFCSA-N 2 1 304.434 2.620 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cncc(Br)c1 ZINC000274325943 426743964 /nfs/dbraw/zinc/74/39/64/426743964.db2.gz LKCJEGYLJRDPAE-UHFFFAOYSA-N 2 1 309.211 2.529 20 0 DFADMP Cc1nccn1CCC[N@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000290542426 426788874 /nfs/dbraw/zinc/78/88/74/426788874.db2.gz RJUXJSYZFOETDI-UHFFFAOYSA-N 2 1 324.432 2.509 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1-c1cccnc1 ZINC000290542426 426788876 /nfs/dbraw/zinc/78/88/76/426788876.db2.gz RJUXJSYZFOETDI-UHFFFAOYSA-N 2 1 324.432 2.509 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)c1cc(F)ccc1F ZINC000266611345 426748904 /nfs/dbraw/zinc/74/89/04/426748904.db2.gz WPOWTERVGHPWKD-RHSMWYFYSA-N 2 1 312.404 2.804 20 0 DFADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1COC2(CCCCCC2)O1 ZINC000245556314 426750121 /nfs/dbraw/zinc/75/01/21/426750121.db2.gz DFOVEILDPBBDKX-ULQDDVLXSA-N 2 1 308.466 2.669 20 0 DFADMP COC(=O)[C@H](C)[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000245557255 426750992 /nfs/dbraw/zinc/75/09/92/426750992.db2.gz ATPYJZWVTFHFDL-DJIMGWMZSA-N 2 1 304.434 2.611 20 0 DFADMP COC(=O)[C@H](C)[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000245557255 426750995 /nfs/dbraw/zinc/75/09/95/426750995.db2.gz ATPYJZWVTFHFDL-DJIMGWMZSA-N 2 1 304.434 2.611 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000290592405 426801770 /nfs/dbraw/zinc/80/17/70/426801770.db2.gz VJTWROFAVGLQJS-MRXNPFEDSA-N 2 1 318.461 2.868 20 0 DFADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000189043501 426812643 /nfs/dbraw/zinc/81/26/43/426812643.db2.gz QIKIIHQTGZOZOF-SFHVURJKSA-N 2 1 313.420 2.875 20 0 DFADMP Fc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000189043501 426812650 /nfs/dbraw/zinc/81/26/50/426812650.db2.gz QIKIIHQTGZOZOF-SFHVURJKSA-N 2 1 313.420 2.875 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc2c(c1)COC(C)(C)O2 ZINC000274670943 426814426 /nfs/dbraw/zinc/81/44/26/426814426.db2.gz PAIAAANQDBNXBH-UHFFFAOYSA-N 2 1 301.390 2.626 20 0 DFADMP C[C@@H](c1ccccn1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000267079257 426820800 /nfs/dbraw/zinc/82/08/00/426820800.db2.gz QKFJJANUJANYHE-BBWFWOEESA-N 2 1 317.477 2.964 20 0 DFADMP CN(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000246412700 426829703 /nfs/dbraw/zinc/82/97/03/426829703.db2.gz UXWBQNVHOUAREK-SFHVURJKSA-N 2 1 301.478 2.931 20 0 DFADMP COC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000180170659 426841981 /nfs/dbraw/zinc/84/19/81/426841981.db2.gz VBDSXHNZKJDUCY-FGTMMUONSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCCO1 ZINC000274836989 426847109 /nfs/dbraw/zinc/84/71/09/426847109.db2.gz NNOPFTOAAJCQEX-WMZOPIPTSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000246626402 426852067 /nfs/dbraw/zinc/85/20/67/426852067.db2.gz FHNBUZSPLKENFS-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000246626402 426852081 /nfs/dbraw/zinc/85/20/81/426852081.db2.gz FHNBUZSPLKENFS-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000246626402 426852088 /nfs/dbraw/zinc/85/20/88/426852088.db2.gz FHNBUZSPLKENFS-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246626402 426852093 /nfs/dbraw/zinc/85/20/93/426852093.db2.gz FHNBUZSPLKENFS-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000246626402 426852098 /nfs/dbraw/zinc/85/20/98/426852098.db2.gz FHNBUZSPLKENFS-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1(C)C ZINC000282215892 426855043 /nfs/dbraw/zinc/85/50/43/426855043.db2.gz HPNNCBNUXPLLKR-GOSISDBHSA-N 2 1 319.468 2.892 20 0 DFADMP CC[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000246088422 426796858 /nfs/dbraw/zinc/79/68/58/426796858.db2.gz UWTSXWOOSUHADI-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@H+]1CC[C@@H](NCCC[NH+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189336 426914891 /nfs/dbraw/zinc/91/48/91/426914891.db2.gz VQVPEPVIDAPFJZ-FXAWDEMLSA-N 2 1 315.505 2.755 20 0 DFADMP CC[NH+]1CC[C@@H](NCCC[N@@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189336 426914894 /nfs/dbraw/zinc/91/48/94/426914894.db2.gz VQVPEPVIDAPFJZ-FXAWDEMLSA-N 2 1 315.505 2.755 20 0 DFADMP CC[NH+]1CC[C@@H](NCCC[N@H+]2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189336 426914898 /nfs/dbraw/zinc/91/48/98/426914898.db2.gz VQVPEPVIDAPFJZ-FXAWDEMLSA-N 2 1 315.505 2.755 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189336 426914905 /nfs/dbraw/zinc/91/49/05/426914905.db2.gz VQVPEPVIDAPFJZ-FXAWDEMLSA-N 2 1 315.505 2.755 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247189336 426914911 /nfs/dbraw/zinc/91/49/11/426914911.db2.gz VQVPEPVIDAPFJZ-FXAWDEMLSA-N 2 1 315.505 2.755 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000247253443 426920352 /nfs/dbraw/zinc/92/03/52/426920352.db2.gz ZVIDYTMUFFDBTN-BFYDXBDKSA-N 2 1 304.482 2.746 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000247253443 426920358 /nfs/dbraw/zinc/92/03/58/426920358.db2.gz ZVIDYTMUFFDBTN-BFYDXBDKSA-N 2 1 304.482 2.746 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c[nH]c3nccnc23)C1 ZINC000290922215 426865793 /nfs/dbraw/zinc/86/57/93/426865793.db2.gz QQRVWJMADSRAKD-CQSZACIVSA-N 2 1 301.438 2.560 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(F)c(Cl)c2)CC1(C)C ZINC000282287579 426871410 /nfs/dbraw/zinc/87/14/10/426871410.db2.gz IQNDLSJZDQUFEC-UHFFFAOYSA-N 2 1 313.848 2.595 20 0 DFADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000246851220 426872323 /nfs/dbraw/zinc/87/23/23/426872323.db2.gz CAVRXJXFPKIDMT-VVLHAWIVSA-N 2 1 317.477 2.592 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000305125452 426882785 /nfs/dbraw/zinc/88/27/85/426882785.db2.gz KZZOEMBZSFYWSI-SZVBFZGTSA-N 2 1 302.462 2.746 20 0 DFADMP C[C@H](NCC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275624879 426883308 /nfs/dbraw/zinc/88/33/08/426883308.db2.gz AMDSKGAELZNUAF-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275624879 426883313 /nfs/dbraw/zinc/88/33/13/426883313.db2.gz AMDSKGAELZNUAF-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275624879 426883318 /nfs/dbraw/zinc/88/33/18/426883318.db2.gz AMDSKGAELZNUAF-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1n[nH]cc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000275681509 426894501 /nfs/dbraw/zinc/89/45/01/426894501.db2.gz MIVQMYCCTWTTTP-MRXNPFEDSA-N 2 1 316.474 2.924 20 0 DFADMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)cc1Cl ZINC000282399489 426900562 /nfs/dbraw/zinc/90/05/62/426900562.db2.gz POTQQRWKKNWXAO-UHFFFAOYSA-N 2 1 309.885 2.764 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247148855 426908297 /nfs/dbraw/zinc/90/82/97/426908297.db2.gz WVQHQBKHTXNDMW-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H](C)C1 ZINC000247150318 426912132 /nfs/dbraw/zinc/91/21/32/426912132.db2.gz SWAPUSNEEBBGRG-QFBILLFUSA-N 3 1 312.461 2.751 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000316889351 426952953 /nfs/dbraw/zinc/95/29/53/426952953.db2.gz SBSRMLYPBRUWNL-CHWSQXEVSA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000316889351 426952959 /nfs/dbraw/zinc/95/29/59/426952959.db2.gz SBSRMLYPBRUWNL-CHWSQXEVSA-N 2 1 314.376 2.856 20 0 DFADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OC(F)F ZINC000291692447 426955218 /nfs/dbraw/zinc/95/52/18/426955218.db2.gz JCUHOXUMOSYRON-LLVKDONJSA-N 2 1 302.365 2.584 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000248391054 426994879 /nfs/dbraw/zinc/99/48/79/426994879.db2.gz BWUFWDUUQMWKBK-GJZGRUSLSA-N 2 1 313.486 2.611 20 0 DFADMP Cc1cnc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)s1 ZINC000295499677 426983389 /nfs/dbraw/zinc/98/33/89/426983389.db2.gz TZRHLEZUYJONAZ-UHFFFAOYSA-N 2 1 317.462 2.617 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)ccc1OC(F)F ZINC000291779586 426985765 /nfs/dbraw/zinc/98/57/65/426985765.db2.gz UTOXABHJOHMMGO-GFCCVEGCSA-N 2 1 316.392 2.974 20 0 DFADMP CC[C@@](C)(O)C[N@@H+](CCCn1ccnc1)Cc1ccccc1 ZINC000189723727 426931558 /nfs/dbraw/zinc/93/15/58/426931558.db2.gz YOBFRKBZRKHQFO-GOSISDBHSA-N 2 1 301.434 2.936 20 0 DFADMP COc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1OC ZINC000314652323 426932689 /nfs/dbraw/zinc/93/26/89/426932689.db2.gz DEZSUOOWSKEPPA-HOCLYGCPSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1OC ZINC000314652323 426932695 /nfs/dbraw/zinc/93/26/95/426932695.db2.gz DEZSUOOWSKEPPA-HOCLYGCPSA-N 2 1 304.434 2.668 20 0 DFADMP Cn1nccc1C1=C[C@H]2CC[C@@H](C1)[N@H+]2Cc1cccc2nccn21 ZINC000283047686 426940531 /nfs/dbraw/zinc/94/05/31/426940531.db2.gz OMOVICGPTUCYSP-CVEARBPZSA-N 2 1 319.412 2.888 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C[C@H]1C ZINC000248393726 426997002 /nfs/dbraw/zinc/99/70/02/426997002.db2.gz HABVWHPPCWYCHD-TXCZRRACSA-N 2 1 321.465 2.785 20 0 DFADMP CCCC[C@H](COC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000248445960 427000178 /nfs/dbraw/zinc/00/01/78/427000178.db2.gz MTGFCVJDNCJHMM-RTBURBONSA-N 2 1 320.477 2.548 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248737801 427038112 /nfs/dbraw/zinc/03/81/12/427038112.db2.gz OZWVFRDXBJXSTR-MDMSPXHWSA-N 2 1 306.494 2.902 20 0 DFADMP C[N@H+](Cc1ccsc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190317982 427072460 /nfs/dbraw/zinc/07/24/60/427072460.db2.gz ZQPOGKBZOJCMPI-GOSISDBHSA-N 2 1 316.470 2.817 20 0 DFADMP C[N@@H+](Cc1ccsc1)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000190317982 427072465 /nfs/dbraw/zinc/07/24/65/427072465.db2.gz ZQPOGKBZOJCMPI-GOSISDBHSA-N 2 1 316.470 2.817 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000248999723 427072466 /nfs/dbraw/zinc/07/24/66/427072466.db2.gz IGFWWKGRKATDMT-COXVUDFISA-N 2 1 310.388 2.869 20 0 DFADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249060672 427081747 /nfs/dbraw/zinc/08/17/47/427081747.db2.gz PFMJNQKMGBDBDS-BZUAXINKSA-N 2 1 317.477 2.518 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000249101343 427088115 /nfs/dbraw/zinc/08/81/15/427088115.db2.gz UUCLUUFYVSHAHB-HOTGVXAUSA-N 2 1 300.512 2.705 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000268697903 427092763 /nfs/dbraw/zinc/09/27/63/427092763.db2.gz AJFKJJVSTQQXKH-ZDUSSCGKSA-N 2 1 301.434 2.706 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)[C@H](C)C1 ZINC000249173288 427094940 /nfs/dbraw/zinc/09/49/40/427094940.db2.gz CUHUBMIIIGKSTI-KBXIAJHMSA-N 2 1 322.415 2.790 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000283906180 427095469 /nfs/dbraw/zinc/09/54/69/427095469.db2.gz JPARRJJJKHBHDW-QXAKKESOSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000283906180 427095472 /nfs/dbraw/zinc/09/54/72/427095472.db2.gz JPARRJJJKHBHDW-QXAKKESOSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000283906180 427095479 /nfs/dbraw/zinc/09/54/79/427095479.db2.gz JPARRJJJKHBHDW-QXAKKESOSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000283906180 427095482 /nfs/dbraw/zinc/09/54/82/427095482.db2.gz JPARRJJJKHBHDW-QXAKKESOSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000283906180 427095490 /nfs/dbraw/zinc/09/54/90/427095490.db2.gz JPARRJJJKHBHDW-QXAKKESOSA-N 2 1 304.478 2.988 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268704366 427097226 /nfs/dbraw/zinc/09/72/26/427097226.db2.gz AXWJUHJRMZHRHS-HKUYNNGSSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268704366 427097232 /nfs/dbraw/zinc/09/72/32/427097232.db2.gz AXWJUHJRMZHRHS-HKUYNNGSSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000249282430 427104704 /nfs/dbraw/zinc/10/47/04/427104704.db2.gz HCCWLAYELHOBGS-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268736315 427106763 /nfs/dbraw/zinc/10/67/63/427106763.db2.gz BQYWMOHNGTVPMM-SJLPKXTDSA-N 2 1 317.477 2.544 20 0 DFADMP CC(C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268736315 427106768 /nfs/dbraw/zinc/10/67/68/427106768.db2.gz BQYWMOHNGTVPMM-SJLPKXTDSA-N 2 1 317.477 2.544 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)C1 ZINC000249378408 427110285 /nfs/dbraw/zinc/11/02/85/427110285.db2.gz NTMWTVNGMUTSCV-ZIAGYGMSSA-N 2 1 322.449 2.705 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268773442 427112990 /nfs/dbraw/zinc/11/29/90/427112990.db2.gz UQTSPLZYXGKTQC-MJGOQNOKSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000268773442 427112992 /nfs/dbraw/zinc/11/29/92/427112992.db2.gz UQTSPLZYXGKTQC-MJGOQNOKSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000268785252 427115530 /nfs/dbraw/zinc/11/55/30/427115530.db2.gz BEBYHYYVNSOYAE-OAHLLOKOSA-N 2 1 317.477 2.598 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000268790962 427116261 /nfs/dbraw/zinc/11/62/61/427116261.db2.gz CZPNLEROKAVXGQ-CVEARBPZSA-N 2 1 308.466 2.745 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000268816153 427125898 /nfs/dbraw/zinc/12/58/98/427125898.db2.gz NMHWBZUYXPJTGZ-ZDUSSCGKSA-N 2 1 303.406 2.868 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000268876759 427137744 /nfs/dbraw/zinc/13/77/44/427137744.db2.gz IYVWDGMMYJXDNR-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000268876759 427137750 /nfs/dbraw/zinc/13/77/50/427137750.db2.gz IYVWDGMMYJXDNR-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000268876759 427137757 /nfs/dbraw/zinc/13/77/57/427137757.db2.gz IYVWDGMMYJXDNR-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCc2cccc(F)c2)CC1 ZINC000182752672 427138956 /nfs/dbraw/zinc/13/89/56/427138956.db2.gz BHSSLJNLYZRYRX-INIZCTEOSA-N 2 1 322.468 2.783 20 0 DFADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000284142378 427142069 /nfs/dbraw/zinc/14/20/69/427142069.db2.gz OVHKNILALBDTOR-AABGKKOBSA-N 2 1 314.473 2.958 20 0 DFADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000284142378 427142075 /nfs/dbraw/zinc/14/20/75/427142075.db2.gz OVHKNILALBDTOR-AABGKKOBSA-N 2 1 314.473 2.958 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000249747254 427142550 /nfs/dbraw/zinc/14/25/50/427142550.db2.gz OHDAABJCWFXIJV-HOTGVXAUSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000269043757 427150064 /nfs/dbraw/zinc/15/00/64/427150064.db2.gz XWSMGYWBSCPVSD-BEIYGRMHSA-N 2 1 304.478 2.859 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1O ZINC000277296049 427153255 /nfs/dbraw/zinc/15/32/55/427153255.db2.gz USGPNEGLNOIJBP-XIRDDKMYSA-N 2 1 318.461 2.938 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1O ZINC000277296049 427153258 /nfs/dbraw/zinc/15/32/58/427153258.db2.gz USGPNEGLNOIJBP-XIRDDKMYSA-N 2 1 318.461 2.938 20 0 DFADMP C1C[C@@H]2C[C@@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)CC[N@H+]2C1 ZINC000251086238 427157921 /nfs/dbraw/zinc/15/79/21/427157921.db2.gz HTSVJADNNBVBQV-HRCADAONSA-N 2 1 310.507 2.648 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000174868286 271141347 /nfs/dbraw/zinc/14/13/47/271141347.db2.gz SPTVYPVPHPOIHJ-RHSMWYFYSA-N 2 1 318.465 2.695 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]([NH3+])C(C)C)cc1)C(C)C ZINC000269301214 427165350 /nfs/dbraw/zinc/16/53/50/427165350.db2.gz XSZXUKZJLVXFGQ-KRWDZBQOSA-N 2 1 305.466 2.630 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000236992781 271243658 /nfs/dbraw/zinc/24/36/58/271243658.db2.gz OOMNYCILZMWGFS-KRWDZBQOSA-N 2 1 317.477 2.728 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329764894 427169874 /nfs/dbraw/zinc/16/98/74/427169874.db2.gz WIFIWPSTDVCNCA-ZBFHGGJFSA-N 2 1 318.465 2.769 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000252692419 271267605 /nfs/dbraw/zinc/26/76/05/271267605.db2.gz LVKRIKHFMKWDBV-QXAKKESOSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000252692419 271267608 /nfs/dbraw/zinc/26/76/08/271267608.db2.gz LVKRIKHFMKWDBV-QXAKKESOSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000252692419 271267611 /nfs/dbraw/zinc/26/76/11/271267611.db2.gz LVKRIKHFMKWDBV-QXAKKESOSA-N 2 1 300.446 2.669 20 0 DFADMP Cc1cc(C)cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000264380906 271274490 /nfs/dbraw/zinc/27/44/90/271274490.db2.gz OVDBBZFOKWCUMD-KRWDZBQOSA-N 2 1 304.478 2.828 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCn2ccnc2)C1 ZINC000183178757 427217443 /nfs/dbraw/zinc/21/74/43/427217443.db2.gz HDJXZCYHHVSADQ-QZTJIDSGSA-N 2 1 304.482 2.860 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000183178757 427217449 /nfs/dbraw/zinc/21/74/49/427217449.db2.gz HDJXZCYHHVSADQ-QZTJIDSGSA-N 2 1 304.482 2.860 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000183178757 427217456 /nfs/dbraw/zinc/21/74/56/427217456.db2.gz HDJXZCYHHVSADQ-QZTJIDSGSA-N 2 1 304.482 2.860 20 0 DFADMP c1cn(CCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000183173429 427218048 /nfs/dbraw/zinc/21/80/48/427218048.db2.gz JAPQYAFYLQNJRV-GOSISDBHSA-N 2 1 304.482 2.861 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](CC)C(C)C)cc1 ZINC000338185732 427178740 /nfs/dbraw/zinc/17/87/40/427178740.db2.gz DSIHIOJEVYCUEQ-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCn1nc(C)cc1C ZINC000277389760 427189007 /nfs/dbraw/zinc/18/90/07/427189007.db2.gz YSPUTSVYKAQYCA-UHFFFAOYSA-N 2 1 303.454 2.671 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCn1nc(C)cc1C ZINC000277389760 427189011 /nfs/dbraw/zinc/18/90/11/427189011.db2.gz YSPUTSVYKAQYCA-UHFFFAOYSA-N 2 1 303.454 2.671 20 0 DFADMP c1ccc(C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)nc1 ZINC000338211720 427194373 /nfs/dbraw/zinc/19/43/73/427194373.db2.gz JINMYVHYTXBXHN-AQNXPRMDSA-N 2 1 322.456 2.977 20 0 DFADMP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)nc1 ZINC000338211720 427194377 /nfs/dbraw/zinc/19/43/77/427194377.db2.gz JINMYVHYTXBXHN-AQNXPRMDSA-N 2 1 322.456 2.977 20 0 DFADMP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)nc1 ZINC000338211720 427194380 /nfs/dbraw/zinc/19/43/80/427194380.db2.gz JINMYVHYTXBXHN-AQNXPRMDSA-N 2 1 322.456 2.977 20 0 DFADMP C[N@@H+]1CCO[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000284894690 427197939 /nfs/dbraw/zinc/19/79/39/427197939.db2.gz HHHXXMIXFNCTND-IRXDYDNUSA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CCO[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C[C@@H]21 ZINC000284894690 427197946 /nfs/dbraw/zinc/19/79/46/427197946.db2.gz HHHXXMIXFNCTND-IRXDYDNUSA-N 2 1 317.820 2.798 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000284936710 427198791 /nfs/dbraw/zinc/19/87/91/427198791.db2.gz JEWQZKXKTKAPFU-ZWKOTPCHSA-N 2 1 311.429 2.761 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)CC[N@@H+](C)C2CC2)cc1 ZINC000338224786 427201017 /nfs/dbraw/zinc/20/10/17/427201017.db2.gz KVEZPMZDMPMPRR-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP C[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@@H]1Cc1ccccc1 ZINC000284960386 427201461 /nfs/dbraw/zinc/20/14/61/427201461.db2.gz ZVHBOPGGRONZRE-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000292903087 427205298 /nfs/dbraw/zinc/20/52/98/427205298.db2.gz DXUAGRHVTKBFNE-APWZRJJASA-N 2 1 302.462 2.792 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190953569 427211986 /nfs/dbraw/zinc/21/19/86/427211986.db2.gz KNRMUODCUGPDAY-HNNXBMFYSA-N 2 1 315.465 2.857 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554259 427213361 /nfs/dbraw/zinc/21/33/61/427213361.db2.gz AZUZUBOHKMQSDS-MAUKXSAKSA-N 2 1 311.429 2.857 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554259 427213365 /nfs/dbraw/zinc/21/33/65/427213365.db2.gz AZUZUBOHKMQSDS-MAUKXSAKSA-N 2 1 311.429 2.857 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554259 427213370 /nfs/dbraw/zinc/21/33/70/427213370.db2.gz AZUZUBOHKMQSDS-MAUKXSAKSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000183199696 427220803 /nfs/dbraw/zinc/22/08/03/427220803.db2.gz BSAUCOLVGGGOKL-DOXZYTNZSA-N 2 1 312.461 2.999 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000183199696 427220808 /nfs/dbraw/zinc/22/08/08/427220808.db2.gz BSAUCOLVGGGOKL-DOXZYTNZSA-N 2 1 312.461 2.999 20 0 DFADMP COc1ccc(C(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285422068 427226634 /nfs/dbraw/zinc/22/66/34/427226634.db2.gz GSMNFLDTXDBAFH-SJPCQFCGSA-N 2 1 316.445 2.825 20 0 DFADMP COc1ccc(C(=O)CCN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285422068 427226640 /nfs/dbraw/zinc/22/66/40/427226640.db2.gz GSMNFLDTXDBAFH-SJPCQFCGSA-N 2 1 316.445 2.825 20 0 DFADMP CC(C)Cn1cc(C[N@H+]2CC[C@H](CNc3ccccn3)C2)cn1 ZINC000183234099 427229666 /nfs/dbraw/zinc/22/96/66/427229666.db2.gz JUXYSPJHRGTOAY-MRXNPFEDSA-N 2 1 313.449 2.868 20 0 DFADMP CC[NH+](CC)CCCN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338279933 427229901 /nfs/dbraw/zinc/22/99/01/427229901.db2.gz BPUTXBIHUUKMKE-LJQANCHMSA-N 2 1 303.494 2.925 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC000285453492 427235178 /nfs/dbraw/zinc/23/51/78/427235178.db2.gz JDCCSJCYQRZDHQ-UHFFFAOYSA-N 2 1 320.477 2.554 20 0 DFADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000296843722 427246276 /nfs/dbraw/zinc/24/62/76/427246276.db2.gz KBCUBOBQYOVKII-ZFWWWQNUSA-N 2 1 315.421 2.589 20 0 DFADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cn2cc[nH+]c12 ZINC000296843722 427246283 /nfs/dbraw/zinc/24/62/83/427246283.db2.gz KBCUBOBQYOVKII-ZFWWWQNUSA-N 2 1 315.421 2.589 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000338309197 427252884 /nfs/dbraw/zinc/25/28/84/427252884.db2.gz UPXWSAMCPRZNPY-HOTGVXAUSA-N 2 1 315.452 2.524 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000277597398 427256051 /nfs/dbraw/zinc/25/60/51/427256051.db2.gz POMGZDYFDWBSIM-CRAIPNDOSA-N 2 1 317.477 2.646 20 0 DFADMP C[NH+](C)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285519336 427260498 /nfs/dbraw/zinc/26/04/98/427260498.db2.gz DWMHSPQMTGDPFM-UHFFFAOYSA-N 3 1 303.494 2.971 20 0 DFADMP CN(C)CCC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000285519336 427260506 /nfs/dbraw/zinc/26/05/06/427260506.db2.gz DWMHSPQMTGDPFM-UHFFFAOYSA-N 2 1 303.494 2.971 20 0 DFADMP CN(C)CCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285519336 427260511 /nfs/dbraw/zinc/26/05/11/427260511.db2.gz DWMHSPQMTGDPFM-UHFFFAOYSA-N 2 1 303.494 2.971 20 0 DFADMP Cc1nnsc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293269405 427267865 /nfs/dbraw/zinc/26/78/65/427267865.db2.gz CGXPYNQOBQRAOJ-LBPRGKRZSA-N 2 1 320.462 2.638 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744916 427325115 /nfs/dbraw/zinc/32/51/15/427325115.db2.gz RIZZBIQRGBBLIU-HOCLYGCPSA-N 2 1 320.477 2.875 20 0 DFADMP CSCc1cnc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000293460551 427330625 /nfs/dbraw/zinc/33/06/25/427330625.db2.gz DEIDUNZAHOSHBT-LLVKDONJSA-N 2 1 310.492 2.937 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000285787221 427338090 /nfs/dbraw/zinc/33/80/90/427338090.db2.gz FEJBKBCQZBWSRQ-FUHWJXTLSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000285787221 427338095 /nfs/dbraw/zinc/33/80/95/427338095.db2.gz FEJBKBCQZBWSRQ-FUHWJXTLSA-N 2 1 312.461 2.729 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261895606 427344536 /nfs/dbraw/zinc/34/45/36/427344536.db2.gz HAYASGWQWCNVLH-RCCFBDPRSA-N 2 1 320.452 2.850 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000191419694 427345937 /nfs/dbraw/zinc/34/59/37/427345937.db2.gz VTCOQHDSCBIUDF-QGZVFWFLSA-N 2 1 304.482 2.700 20 0 DFADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261970077 427346524 /nfs/dbraw/zinc/34/65/24/427346524.db2.gz YVRCVRMYCMHWHP-UZLBHIALSA-N 2 1 309.457 2.880 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261960171 427346918 /nfs/dbraw/zinc/34/69/18/427346918.db2.gz PNMWJQODPZSTJJ-AFYVEPGGSA-N 2 1 314.473 2.853 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]12 ZINC000261983440 427347730 /nfs/dbraw/zinc/34/77/30/427347730.db2.gz AOHXAPSHNRLEAI-UHOFOFEASA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)cc4)n3)C[C@H]12 ZINC000261983440 427347738 /nfs/dbraw/zinc/34/77/38/427347738.db2.gz AOHXAPSHNRLEAI-UHOFOFEASA-N 2 1 301.365 2.650 20 0 DFADMP Cc1[nH+]ccn1CC[NH+]1CCC(CO)(Cc2ccccc2)CC1 ZINC000277903355 427353670 /nfs/dbraw/zinc/35/36/70/427353670.db2.gz WWVLVDBGNPCUMD-UHFFFAOYSA-N 2 1 313.445 2.509 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000262107660 427350905 /nfs/dbraw/zinc/35/09/05/427350905.db2.gz WEIMWFLUMREVIF-MAUKXSAKSA-N 2 1 302.418 2.594 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)cn1 ZINC000191589673 427384102 /nfs/dbraw/zinc/38/41/02/427384102.db2.gz YVOSBGRNCQGKRO-MRXNPFEDSA-N 2 1 304.482 2.892 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1)C(C)C ZINC000262973316 427387205 /nfs/dbraw/zinc/38/72/05/427387205.db2.gz XVBMIXOCBTUVJY-CRAIPNDOSA-N 2 1 317.477 2.787 20 0 DFADMP CC1(C)OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000293681166 427405607 /nfs/dbraw/zinc/40/56/07/427405607.db2.gz KITZWVCFFZQBSG-GOSISDBHSA-N 2 1 302.462 2.851 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191462661 427356870 /nfs/dbraw/zinc/35/68/70/427356870.db2.gz CEDKHAJYSHOWLA-IAGOWNOFSA-N 2 1 311.514 2.735 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000285883038 427363207 /nfs/dbraw/zinc/36/32/07/427363207.db2.gz ZPQANBJGUPDCTF-CHWSQXEVSA-N 2 1 310.463 2.917 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262645171 427365345 /nfs/dbraw/zinc/36/53/45/427365345.db2.gz JXJMPZHPRDVSLG-DOTOQJQBSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262645171 427365353 /nfs/dbraw/zinc/36/53/53/427365353.db2.gz JXJMPZHPRDVSLG-DOTOQJQBSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000262660475 427367347 /nfs/dbraw/zinc/36/73/47/427367347.db2.gz NNBPLCVQEYLTON-SQNIBIBYSA-N 2 1 323.525 2.641 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CSC2(C)C)[C@H](C)C1 ZINC000338785126 427487881 /nfs/dbraw/zinc/48/78/81/427487881.db2.gz JMDLNFFNCCXSDA-ILXRZTDVSA-N 2 1 300.512 2.607 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000191952069 427453429 /nfs/dbraw/zinc/45/34/29/427453429.db2.gz HOGOIJHQXXQROH-AWEZNQCLSA-N 2 1 320.485 2.513 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnnn2C2CC2)CC1 ZINC000191952069 427453435 /nfs/dbraw/zinc/45/34/35/427453435.db2.gz HOGOIJHQXXQROH-AWEZNQCLSA-N 2 1 320.485 2.513 20 0 DFADMP CCOC1CC(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)C1 ZINC000286207097 427455136 /nfs/dbraw/zinc/45/51/36/427455136.db2.gz AWEWHDLEMSDTPI-KLAILNCOSA-N 2 1 303.450 2.939 20 0 DFADMP CCOC1CC(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)C1 ZINC000286207097 427455141 /nfs/dbraw/zinc/45/51/41/427455141.db2.gz AWEWHDLEMSDTPI-KLAILNCOSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000184416469 427457203 /nfs/dbraw/zinc/45/72/03/427457203.db2.gz IMYKNRXMWCRKBQ-MNEFBYGVSA-N 2 1 317.477 2.809 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000271252646 427467130 /nfs/dbraw/zinc/46/71/30/427467130.db2.gz FWYBISBXNWNNKW-VAMGGRTRSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]2CN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000271252646 427467136 /nfs/dbraw/zinc/46/71/36/427467136.db2.gz FWYBISBXNWNNKW-VAMGGRTRSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]2CN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000271252646 427467142 /nfs/dbraw/zinc/46/71/42/427467142.db2.gz FWYBISBXNWNNKW-VAMGGRTRSA-N 2 1 313.489 2.677 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000192037994 427467920 /nfs/dbraw/zinc/46/79/20/427467920.db2.gz RCTJKCJZHFLLBV-KRWDZBQOSA-N 3 1 312.461 2.954 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000192037994 427467927 /nfs/dbraw/zinc/46/79/27/427467927.db2.gz RCTJKCJZHFLLBV-KRWDZBQOSA-N 3 1 312.461 2.954 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C[C@H]1CCCN(C)C1 ZINC000192037994 427467935 /nfs/dbraw/zinc/46/79/35/427467935.db2.gz RCTJKCJZHFLLBV-KRWDZBQOSA-N 3 1 312.461 2.954 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C[C@H]1CCCN(C)C1 ZINC000192037994 427467941 /nfs/dbraw/zinc/46/79/41/427467941.db2.gz RCTJKCJZHFLLBV-KRWDZBQOSA-N 3 1 312.461 2.954 20 0 DFADMP C[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C[NH+](C)C ZINC000293863077 427469343 /nfs/dbraw/zinc/46/93/43/427469343.db2.gz XVFHAKFZQDITIZ-VBSBHUPXSA-N 2 1 315.505 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C[NH+](C)C ZINC000293863077 427469349 /nfs/dbraw/zinc/46/93/49/427469349.db2.gz XVFHAKFZQDITIZ-VBSBHUPXSA-N 3 1 315.505 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C[NH+](C)C ZINC000293863077 427469353 /nfs/dbraw/zinc/46/93/53/427469353.db2.gz XVFHAKFZQDITIZ-VBSBHUPXSA-N 3 1 315.505 2.684 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278863151 427482499 /nfs/dbraw/zinc/48/24/99/427482499.db2.gz BAPNFFWDFJWVFX-UONOGXRCSA-N 2 1 315.417 2.814 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000191814382 427433669 /nfs/dbraw/zinc/43/36/69/427433669.db2.gz ZRGLKKJRVXTZPR-OAHLLOKOSA-N 2 1 305.470 2.524 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nncn2C2CC2)C1 ZINC000191814382 427433675 /nfs/dbraw/zinc/43/36/75/427433675.db2.gz ZRGLKKJRVXTZPR-OAHLLOKOSA-N 2 1 305.470 2.524 20 0 DFADMP Cc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@@H](C)C2)ccn1 ZINC000297718493 427435715 /nfs/dbraw/zinc/43/57/15/427435715.db2.gz JNMNVYOFTZPYKA-CYBMUJFWSA-N 2 1 302.422 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000271191569 427441120 /nfs/dbraw/zinc/44/11/20/427441120.db2.gz PPAGUVLDTLQSKX-ZDUSSCGKSA-N 2 1 319.478 2.805 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000271191569 427441123 /nfs/dbraw/zinc/44/11/23/427441123.db2.gz PPAGUVLDTLQSKX-ZDUSSCGKSA-N 2 1 319.478 2.805 20 0 DFADMP CC(C)C[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184571354 427490954 /nfs/dbraw/zinc/49/09/54/427490954.db2.gz XZKXUZQDKDDJQP-SFHVURJKSA-N 2 1 319.493 2.772 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CC[NH2+]C)c1 ZINC000286336342 427497511 /nfs/dbraw/zinc/49/75/11/427497511.db2.gz ZBAGAERUZJNWOC-UHFFFAOYSA-N 2 1 305.466 2.534 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)nc(C)[nH+]1 ZINC000332099161 427509960 /nfs/dbraw/zinc/50/99/60/427509960.db2.gz CPBIBRCNCHZHPT-KBXCAEBGSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@H](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000293977955 427510564 /nfs/dbraw/zinc/51/05/64/427510564.db2.gz BJLANVUHOIHWKB-BPQIPLTHSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[NH2+]C1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271365955 427511337 /nfs/dbraw/zinc/51/13/37/427511337.db2.gz OHZCSYLRWUCKHI-IBGZPJMESA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H](CCNC(=O)C[C@@H]1CCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000293977968 427511420 /nfs/dbraw/zinc/51/14/20/427511420.db2.gz BJLANVUHOIHWKB-RYQLBKOJSA-N 2 1 317.477 2.531 20 0 DFADMP COc1ccc(C(=O)CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000286411949 427519319 /nfs/dbraw/zinc/51/93/19/427519319.db2.gz LXPCAHNFPQKHMA-FUHWJXTLSA-N 2 1 316.445 2.684 20 0 DFADMP COc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000286411949 427519324 /nfs/dbraw/zinc/51/93/24/427519324.db2.gz LXPCAHNFPQKHMA-FUHWJXTLSA-N 2 1 316.445 2.684 20 0 DFADMP COc1ccc(C(=O)CC[N@H+]2CC[C@@H]3[C@@H](CCCN3C)C2)cc1 ZINC000286411949 427519329 /nfs/dbraw/zinc/51/93/29/427519329.db2.gz LXPCAHNFPQKHMA-FUHWJXTLSA-N 2 1 316.445 2.684 20 0 DFADMP Cn1cncc1CC[N@H+]1CC[C@H](Oc2ccc(Cl)cc2)C1 ZINC000298109774 427522714 /nfs/dbraw/zinc/52/27/14/427522714.db2.gz OEKOPJHFDDSLKG-INIZCTEOSA-N 2 1 305.809 2.769 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298109872 427523425 /nfs/dbraw/zinc/52/34/25/427523425.db2.gz OFNZTJKWOVUGNG-UZLBHIALSA-N 2 1 316.489 2.833 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000192356262 427525805 /nfs/dbraw/zinc/52/58/05/427525805.db2.gz VNUDSYYXZSELLV-GOSISDBHSA-N 2 1 320.502 2.763 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C3CCSCC3)C2)cc1 ZINC000192356262 427525809 /nfs/dbraw/zinc/52/58/09/427525809.db2.gz VNUDSYYXZSELLV-GOSISDBHSA-N 2 1 320.502 2.763 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(C[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000263682140 427539479 /nfs/dbraw/zinc/53/94/79/427539479.db2.gz NRSTZVLDFWDABM-ZNMIVQPWSA-N 2 1 303.450 2.948 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000271460830 427547594 /nfs/dbraw/zinc/54/75/94/427547594.db2.gz HGOWKCOHHPTXAJ-KNIMUDFMSA-N 2 1 318.461 2.988 20 0 DFADMP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000279064349 427548880 /nfs/dbraw/zinc/54/88/80/427548880.db2.gz FNUNEXNHMWUOGO-GFCCVEGCSA-N 2 1 304.463 2.989 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000298447856 427613185 /nfs/dbraw/zinc/61/31/85/427613185.db2.gz NUKBTRRRGASFLT-UHFFFAOYSA-N 2 1 301.478 2.855 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298447856 427613195 /nfs/dbraw/zinc/61/31/95/427613195.db2.gz NUKBTRRRGASFLT-UHFFFAOYSA-N 3 1 301.478 2.855 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298447856 427613204 /nfs/dbraw/zinc/61/32/04/427613204.db2.gz NUKBTRRRGASFLT-UHFFFAOYSA-N 3 1 301.478 2.855 20 0 DFADMP CC[N@H+](C)Cc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000298447856 427613211 /nfs/dbraw/zinc/61/32/11/427613211.db2.gz NUKBTRRRGASFLT-UHFFFAOYSA-N 2 1 301.478 2.855 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000298447856 427613218 /nfs/dbraw/zinc/61/32/18/427613218.db2.gz NUKBTRRRGASFLT-UHFFFAOYSA-N 2 1 301.478 2.855 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000271485634 427558798 /nfs/dbraw/zinc/55/87/98/427558798.db2.gz IXCKUQXTLDNIEC-JKSUJKDBSA-N 2 1 303.450 2.542 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000271508444 427562424 /nfs/dbraw/zinc/56/24/24/427562424.db2.gz OKDAETBTRUAMDB-CKEIUWERSA-N 2 1 319.449 2.726 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H](O)c2c(F)cccc2Cl)CC[N@H+]1C ZINC000271511696 427567566 /nfs/dbraw/zinc/56/75/66/427567566.db2.gz OVQXRVPASNMRJA-SUNKGSAMSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)CCN1C ZINC000271511696 427567571 /nfs/dbraw/zinc/56/75/71/427567571.db2.gz OVQXRVPASNMRJA-SUNKGSAMSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000271511696 427567574 /nfs/dbraw/zinc/56/75/74/427567574.db2.gz OVQXRVPASNMRJA-SUNKGSAMSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)CC[N@H+]1C ZINC000271511696 427567577 /nfs/dbraw/zinc/56/75/77/427567577.db2.gz OVQXRVPASNMRJA-SUNKGSAMSA-N 2 1 300.805 2.585 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308311 427574044 /nfs/dbraw/zinc/57/40/44/427574044.db2.gz CVEKPHOUQDBTRH-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cn2cccnc2n1 ZINC000298338165 427578562 /nfs/dbraw/zinc/57/85/62/427578562.db2.gz JEGPKQAVUBBCMU-UHFFFAOYSA-N 2 1 323.444 2.861 20 0 DFADMP COc1ccc(OCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192728302 427595980 /nfs/dbraw/zinc/59/59/80/427595980.db2.gz WCMGVODDZOCAJE-MQVJKMGUSA-N 2 1 304.434 2.679 20 0 DFADMP CCOc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(Cl)c1O ZINC000298481449 427623962 /nfs/dbraw/zinc/62/39/62/427623962.db2.gz PLIQUQHOBPPOFU-NSHDSACASA-N 2 1 300.830 2.874 20 0 DFADMP CN(C)c1ncccc1O[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298497316 427629681 /nfs/dbraw/zinc/62/96/81/427629681.db2.gz JWUDKZJRTRKVTI-HUUCEWRRSA-N 2 1 319.449 2.558 20 0 DFADMP COc1cccc(OCCC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298505165 427632057 /nfs/dbraw/zinc/63/20/57/427632057.db2.gz QQMWMFWNVFNLGV-UHFFFAOYSA-N 2 1 304.434 2.681 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287550500 427633544 /nfs/dbraw/zinc/63/35/44/427633544.db2.gz AQYLWWUHHPEZAK-NVXWUHKLSA-N 2 1 310.869 2.517 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000287543592 427634060 /nfs/dbraw/zinc/63/40/60/427634060.db2.gz PLTGLAQKEAVMAE-HEHGZKQESA-N 2 1 305.422 2.683 20 0 DFADMP Cc1ccnc(C)c1NC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000287614648 427653792 /nfs/dbraw/zinc/65/37/92/427653792.db2.gz SZSSJNNBNWRQRC-ZDUSSCGKSA-N 2 1 302.378 2.716 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000193046869 427656937 /nfs/dbraw/zinc/65/69/37/427656937.db2.gz QOVIURSKKAFCCC-RBUKOAKNSA-N 2 1 324.509 2.974 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCO[C@@H]3CCCCO3)C2)CC1 ZINC000193046869 427656944 /nfs/dbraw/zinc/65/69/44/427656944.db2.gz QOVIURSKKAFCCC-RBUKOAKNSA-N 2 1 324.509 2.974 20 0 DFADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339068045 427659464 /nfs/dbraw/zinc/65/94/64/427659464.db2.gz JLUJRBNEGDCODF-PMPSAXMXSA-N 2 1 316.493 2.712 20 0 DFADMP Cc1ccoc1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000342420926 272009508 /nfs/dbraw/zinc/00/95/08/272009508.db2.gz AZMRBAZODJOYEW-UHFFFAOYSA-N 2 1 303.406 2.603 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298646593 427668535 /nfs/dbraw/zinc/66/85/35/427668535.db2.gz XCRVYIBAKZOJJI-MSOLQXFVSA-N 2 1 317.477 2.793 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298646593 427668540 /nfs/dbraw/zinc/66/85/40/427668540.db2.gz XCRVYIBAKZOJJI-MSOLQXFVSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298646593 427668545 /nfs/dbraw/zinc/66/85/45/427668545.db2.gz XCRVYIBAKZOJJI-MSOLQXFVSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298646593 427668552 /nfs/dbraw/zinc/66/85/52/427668552.db2.gz XCRVYIBAKZOJJI-MSOLQXFVSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](C)CCOc1cc(C[NH2+]Cc2ccc(Cl)o2)ccn1 ZINC000342819532 272058576 /nfs/dbraw/zinc/05/85/76/272058576.db2.gz BSQUJTJBJVJSBF-UHFFFAOYSA-N 2 1 309.797 2.558 20 0 DFADMP Cn1cnc2cc(C[N@@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc21 ZINC000342907666 272066225 /nfs/dbraw/zinc/06/62/25/272066225.db2.gz HOCBNYHZLLVVIP-QGZVFWFLSA-N 2 1 312.461 2.737 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CC[C@H](C[NH+](C)CC4CC4)C3)ccc21 ZINC000342907666 272066228 /nfs/dbraw/zinc/06/62/28/272066228.db2.gz HOCBNYHZLLVVIP-QGZVFWFLSA-N 2 1 312.461 2.737 20 0 DFADMP Cn1cnc2cc(C[NH+]3CC[C@H](C[N@H+](C)CC4CC4)C3)ccc21 ZINC000342907666 272066231 /nfs/dbraw/zinc/06/62/31/272066231.db2.gz HOCBNYHZLLVVIP-QGZVFWFLSA-N 2 1 312.461 2.737 20 0 DFADMP Cn1cnc2cc(C[NH+]3CC[C@H](C[N@@H+](C)CC4CC4)C3)ccc21 ZINC000342907666 272066233 /nfs/dbraw/zinc/06/62/33/272066233.db2.gz HOCBNYHZLLVVIP-QGZVFWFLSA-N 2 1 312.461 2.737 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000342954523 272071001 /nfs/dbraw/zinc/07/10/01/272071001.db2.gz YJDBJFIFWJZALA-UHOSZYNNSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000342954523 272071004 /nfs/dbraw/zinc/07/10/04/272071004.db2.gz YJDBJFIFWJZALA-UHOSZYNNSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000343026442 272076264 /nfs/dbraw/zinc/07/62/64/272076264.db2.gz GUGVIDPODGCZFS-KFKAGJAMSA-N 2 1 319.493 2.618 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000343026442 272076267 /nfs/dbraw/zinc/07/62/67/272076267.db2.gz GUGVIDPODGCZFS-KFKAGJAMSA-N 2 1 319.493 2.618 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000343026440 272076323 /nfs/dbraw/zinc/07/63/23/272076323.db2.gz GUGVIDPODGCZFS-ATZDWAIDSA-N 2 1 319.493 2.618 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000343026440 272076324 /nfs/dbraw/zinc/07/63/24/272076324.db2.gz GUGVIDPODGCZFS-ATZDWAIDSA-N 2 1 319.493 2.618 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000343026441 272076613 /nfs/dbraw/zinc/07/66/13/272076613.db2.gz GUGVIDPODGCZFS-AYOQOUSVSA-N 2 1 319.493 2.618 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](C)C[C@H]1C)c1cccc(OC)c1 ZINC000343026441 272076615 /nfs/dbraw/zinc/07/66/15/272076615.db2.gz GUGVIDPODGCZFS-AYOQOUSVSA-N 2 1 319.493 2.618 20 0 DFADMP CC(C)(CNc1cc[nH+]cc1Br)C[NH+]1CCCC1 ZINC000343212232 272096987 /nfs/dbraw/zinc/09/69/87/272096987.db2.gz BOAMETXEMGBSLP-UHFFFAOYSA-N 2 1 312.255 2.800 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccnc1 ZINC000343244432 272103261 /nfs/dbraw/zinc/10/32/61/272103261.db2.gz IEGBVTUPSDEQFN-FCGDIQPGSA-N 2 1 317.477 2.568 20 0 DFADMP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000343266797 272109092 /nfs/dbraw/zinc/10/90/92/272109092.db2.gz HBGXKQRHVVDRDV-ZSYWTGECSA-N 2 1 324.509 2.719 20 0 DFADMP Cc1ccc2[nH+]ccc(N3C[C@@H]([NH+]4CCOCC4)C[C@H]3C)c2c1 ZINC000343291677 272113609 /nfs/dbraw/zinc/11/36/09/272113609.db2.gz SMJITSJEYXQBJY-CVEARBPZSA-N 2 1 311.429 2.843 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](c2cncc(F)c2)C2CC2)CC1 ZINC000343472003 272154688 /nfs/dbraw/zinc/15/46/88/272154688.db2.gz QCPDRNZYGCPYLM-GOSISDBHSA-N 2 1 321.440 2.762 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2(OC)CCC2)[C@@H](C)C1 ZINC000339096382 427673705 /nfs/dbraw/zinc/67/37/05/427673705.db2.gz MITGMCBSHXVLRU-IRXDYDNUSA-N 2 1 312.498 2.672 20 0 DFADMP CO[C@H](C)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295053174 427674375 /nfs/dbraw/zinc/67/43/75/427674375.db2.gz PTLVHFBHZQXCLX-QXCFHYIPSA-N 2 1 302.462 2.912 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343609173 272182603 /nfs/dbraw/zinc/18/26/03/272182603.db2.gz GMZROOCGYUIWGV-CABCVRRESA-N 2 1 314.458 2.922 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343609173 272182606 /nfs/dbraw/zinc/18/26/06/272182606.db2.gz GMZROOCGYUIWGV-CABCVRRESA-N 2 1 314.458 2.922 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CCC(C[NH3+])CC1)c1ccccc1 ZINC000343640117 272190872 /nfs/dbraw/zinc/19/08/72/272190872.db2.gz LLKCWZVPBHIZHB-LEOMRAHMSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2ccsc2)CCN1C1CC[NH+](C)CC1 ZINC000343719587 272207906 /nfs/dbraw/zinc/20/79/06/272207906.db2.gz KWEBTADATICQST-INIZCTEOSA-N 2 1 321.534 2.781 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343730544 272209724 /nfs/dbraw/zinc/20/97/24/272209724.db2.gz OLNUXJWITQRVDX-JKSUJKDBSA-N 2 1 319.468 2.987 20 0 DFADMP CC[NH+](CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC)C(C)C ZINC000343778256 272217309 /nfs/dbraw/zinc/21/73/09/272217309.db2.gz KWPQWMMAJOULBJ-KRWDZBQOSA-N 2 1 305.466 2.526 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000295066028 427679122 /nfs/dbraw/zinc/67/91/22/427679122.db2.gz OUMZITVKIWRLJZ-MSOLQXFVSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888290 272232037 /nfs/dbraw/zinc/23/20/37/272232037.db2.gz OWVGMMHJUNTLJL-MDZRGWNJSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888290 272232038 /nfs/dbraw/zinc/23/20/38/272232038.db2.gz OWVGMMHJUNTLJL-MDZRGWNJSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916100 272237345 /nfs/dbraw/zinc/23/73/45/272237345.db2.gz AKLHSURFHORKCS-ZIFCJYIRSA-N 2 1 301.478 2.705 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343921981 272238037 /nfs/dbraw/zinc/23/80/37/272238037.db2.gz JQDOKTPKIWYFHI-MDZRGWNJSA-N 2 1 319.468 2.845 20 0 DFADMP Cc1ccnc([C@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)c1 ZINC000343920995 272238122 /nfs/dbraw/zinc/23/81/22/272238122.db2.gz DREMXBIHYOJEIF-HNNXBMFYSA-N 2 1 314.433 2.576 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343983238 272247596 /nfs/dbraw/zinc/24/75/96/272247596.db2.gz ZFBFYVWGPQADBX-PKOBYXMFSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343983238 272247598 /nfs/dbraw/zinc/24/75/98/272247598.db2.gz ZFBFYVWGPQADBX-PKOBYXMFSA-N 2 1 310.445 2.897 20 0 DFADMP COc1cccc([C@H](C)[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000344028080 272251347 /nfs/dbraw/zinc/25/13/47/272251347.db2.gz MGIFAJWYBDUIMI-INIZCTEOSA-N 2 1 307.482 2.572 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000344068978 272255944 /nfs/dbraw/zinc/25/59/44/272255944.db2.gz SIWHQVDGOCESIA-OAHLLOKOSA-N 2 1 315.417 2.643 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000344219765 272290073 /nfs/dbraw/zinc/29/00/73/272290073.db2.gz ZNLAUDGITTXZKA-VVLHAWIVSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000344219765 272290076 /nfs/dbraw/zinc/29/00/76/272290076.db2.gz ZNLAUDGITTXZKA-VVLHAWIVSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000344219765 272290079 /nfs/dbraw/zinc/29/00/79/272290079.db2.gz ZNLAUDGITTXZKA-VVLHAWIVSA-N 2 1 323.525 2.589 20 0 DFADMP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)OC)c2ccccc2)CC1 ZINC000344589918 272342748 /nfs/dbraw/zinc/34/27/48/272342748.db2.gz VPISTWAJLBKSOJ-SFHVURJKSA-N 2 1 318.461 2.955 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000344659427 272352504 /nfs/dbraw/zinc/35/25/04/272352504.db2.gz MIOMNGCDAXPZMH-RYRKJORJSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000344659427 272352507 /nfs/dbraw/zinc/35/25/07/272352507.db2.gz MIOMNGCDAXPZMH-RYRKJORJSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000344719711 272359962 /nfs/dbraw/zinc/35/99/62/272359962.db2.gz GAFDADRLVPMXEQ-QAETUUGQSA-N 2 1 321.509 2.581 20 0 DFADMP OC[C@H](CC1CCC1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000279845367 427722001 /nfs/dbraw/zinc/72/20/01/427722001.db2.gz RKYINESXWLLINB-FQEVSTJZSA-N 2 1 316.489 2.834 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2ccc(C)cc2OCCCOC)[C@@H](C)C1 ZINC000344924670 272386013 /nfs/dbraw/zinc/38/60/13/272386013.db2.gz WGPIZZZUFJSBGE-WMZOPIPTSA-N 2 1 320.477 2.840 20 0 DFADMP CC[C@H]1CN(c2cc[nH+]c3ccc(C)cc32)CC[N@H+]1C[C@@H](C)O ZINC000185640792 427686044 /nfs/dbraw/zinc/68/60/44/427686044.db2.gz BCQILKNKXMDCTI-CVEARBPZSA-N 2 1 313.445 2.825 20 0 DFADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185668562 427687730 /nfs/dbraw/zinc/68/77/30/427687730.db2.gz WOIFIDRJMGRWGI-CABCVRRESA-N 2 1 303.450 2.833 20 0 DFADMP COc1cccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000185668562 427687737 /nfs/dbraw/zinc/68/77/37/427687737.db2.gz WOIFIDRJMGRWGI-CABCVRRESA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(CO)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272258529 427688477 /nfs/dbraw/zinc/68/84/77/427688477.db2.gz ZPIGJIVQURMIFE-NVXWUHKLSA-N 2 1 314.429 2.772 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(CO)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272258529 427688483 /nfs/dbraw/zinc/68/84/83/427688483.db2.gz ZPIGJIVQURMIFE-NVXWUHKLSA-N 2 1 314.429 2.772 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287779942 427692306 /nfs/dbraw/zinc/69/23/06/427692306.db2.gz NJQUJGVHOHGKDZ-SJLPKXTDSA-N 2 1 324.896 2.907 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)[nH+]1 ZINC000272329058 427710598 /nfs/dbraw/zinc/71/05/98/427710598.db2.gz MFFKKBBPNDIXDL-SFHVURJKSA-N 2 1 311.429 2.816 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)[nH+]1 ZINC000272329058 427710608 /nfs/dbraw/zinc/71/06/08/427710608.db2.gz MFFKKBBPNDIXDL-SFHVURJKSA-N 2 1 311.429 2.816 20 0 DFADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000193822647 427716371 /nfs/dbraw/zinc/71/63/71/427716371.db2.gz IMEXZQCWGPXDPZ-UHFFFAOYSA-N 2 1 309.841 2.695 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000336852724 427759669 /nfs/dbraw/zinc/75/96/69/427759669.db2.gz XBJMUYCRAWNUSN-ZDUSSCGKSA-N 2 1 320.462 2.792 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336854308 427760479 /nfs/dbraw/zinc/76/04/79/427760479.db2.gz DLWJAQOJAVWKCZ-UHFFFAOYSA-N 2 1 300.406 2.520 20 0 DFADMP Cc1cnn(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000336863460 427766135 /nfs/dbraw/zinc/76/61/35/427766135.db2.gz IHOWHLFCWYLZPY-ZWKOTPCHSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000336863460 427766136 /nfs/dbraw/zinc/76/61/36/427766136.db2.gz IHOWHLFCWYLZPY-ZWKOTPCHSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000336863460 427766137 /nfs/dbraw/zinc/76/61/37/427766137.db2.gz IHOWHLFCWYLZPY-ZWKOTPCHSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000336863460 427766138 /nfs/dbraw/zinc/76/61/38/427766138.db2.gz IHOWHLFCWYLZPY-ZWKOTPCHSA-N 2 1 304.482 2.778 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871833 427768433 /nfs/dbraw/zinc/76/84/33/427768433.db2.gz NIHCOZVZCQWWTA-CJNGLKHVSA-N 2 1 315.465 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871833 427768434 /nfs/dbraw/zinc/76/84/34/427768434.db2.gz NIHCOZVZCQWWTA-CJNGLKHVSA-N 2 1 315.465 2.581 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871833 427768435 /nfs/dbraw/zinc/76/84/35/427768435.db2.gz NIHCOZVZCQWWTA-CJNGLKHVSA-N 2 1 315.465 2.581 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3c(c2)c(C)nn3C)C[C@H]1C ZINC000336871833 427768436 /nfs/dbraw/zinc/76/84/36/427768436.db2.gz NIHCOZVZCQWWTA-CJNGLKHVSA-N 2 1 315.465 2.581 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336872928 427769919 /nfs/dbraw/zinc/76/99/19/427769919.db2.gz RMWJJOVSZWBBIT-ROUUACIJSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336872928 427769920 /nfs/dbraw/zinc/76/99/20/427769920.db2.gz RMWJJOVSZWBBIT-ROUUACIJSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Oc2ccccn2)CC1 ZINC000336873211 427770115 /nfs/dbraw/zinc/77/01/15/427770115.db2.gz SEEYMHVHSHBLMT-UHFFFAOYSA-N 2 1 314.433 2.910 20 0 DFADMP Cc1cc(NCCCN2C[C@@H](C)O[C@H](C)C2)nc(C(C)C)n1 ZINC000301098822 427774771 /nfs/dbraw/zinc/77/47/71/427774771.db2.gz WXWJESVADDOWQF-HUUCEWRRSA-N 2 1 306.454 2.820 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713820 427748815 /nfs/dbraw/zinc/74/88/15/427748815.db2.gz NRZVKIUZBOWVJX-UXHICEINSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713820 427748818 /nfs/dbraw/zinc/74/88/18/427748818.db2.gz NRZVKIUZBOWVJX-UXHICEINSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCOCC4CC4)C[C@@H]3C2)cc1 ZINC000336713820 427748820 /nfs/dbraw/zinc/74/88/20/427748820.db2.gz NRZVKIUZBOWVJX-UXHICEINSA-N 2 1 314.473 2.867 20 0 DFADMP Cc1cnn(CC[N@H+](C)C[C@@H]2CC[NH+](Cc3ccccc3)C2)c1 ZINC000336719252 427750316 /nfs/dbraw/zinc/75/03/16/427750316.db2.gz RRRWZODVDUGUGU-IBGZPJMESA-N 2 1 312.461 2.645 20 0 DFADMP Cc1cnn(CC[NH+](C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)c1 ZINC000336719252 427750317 /nfs/dbraw/zinc/75/03/17/427750317.db2.gz RRRWZODVDUGUGU-IBGZPJMESA-N 2 1 312.461 2.645 20 0 DFADMP Cc1cnn(CC[NH+](C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000336719252 427750319 /nfs/dbraw/zinc/75/03/19/427750319.db2.gz RRRWZODVDUGUGU-IBGZPJMESA-N 2 1 312.461 2.645 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000336716841 427750739 /nfs/dbraw/zinc/75/07/39/427750739.db2.gz PPZLGUZVNCJSNY-SFHVURJKSA-N 2 1 313.489 2.725 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)nc(C(C)C)n1 ZINC000301362667 427791702 /nfs/dbraw/zinc/79/17/02/427791702.db2.gz PKQPVMHKQUMAMX-JYJNAYRXSA-N 2 1 300.450 2.829 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@](C)(O)C(F)(F)F)CC1 ZINC000337140533 427805134 /nfs/dbraw/zinc/80/51/34/427805134.db2.gz RFRGYHGDJNVDHG-AWEZNQCLSA-N 2 1 310.404 2.744 20 0 DFADMP C[NH+]1CCN(C(=O)CC2CC[NH+](CCCC(C)(C)C)CC2)CC1 ZINC000337156114 427807368 /nfs/dbraw/zinc/80/73/68/427807368.db2.gz ONQPLMMBDFIMHG-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CCSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000339685719 427811351 /nfs/dbraw/zinc/81/13/51/427811351.db2.gz GGZJVCUPCCRCSJ-GOEBONIOSA-N 2 1 308.491 2.906 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000339714141 427816636 /nfs/dbraw/zinc/81/66/36/427816636.db2.gz AYBRYUPFWRXOCX-MSOLQXFVSA-N 2 1 307.526 2.913 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000355662243 427839548 /nfs/dbraw/zinc/83/95/48/427839548.db2.gz YYMMKHGYNSCHMJ-CRAIPNDOSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000355662245 427840750 /nfs/dbraw/zinc/84/07/50/427840750.db2.gz YYMMKHGYNSCHMJ-QAPCUYQASA-N 2 1 317.477 2.668 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@H]2OCC[N@@H+](C)[C@H]2C1 ZINC000302075801 427849774 /nfs/dbraw/zinc/84/97/74/427849774.db2.gz XVMATNCMLBALHW-ZWKOTPCHSA-N 2 1 311.429 2.625 20 0 DFADMP C[NH+](C)C1CN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000302123531 427850250 /nfs/dbraw/zinc/85/02/50/427850250.db2.gz HHGCMIWFLOCQAP-UHFFFAOYSA-N 2 1 306.207 2.748 20 0 DFADMP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000340461600 427854653 /nfs/dbraw/zinc/85/46/53/427854653.db2.gz KIROTCLLNBSNOQ-GOSISDBHSA-N 2 1 315.465 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000340466771 427854842 /nfs/dbraw/zinc/85/48/42/427854842.db2.gz RJXBNJCNBFJVLJ-BXUZGUMPSA-N 2 1 301.356 2.573 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])C1CCCCC1 ZINC000345713858 427873969 /nfs/dbraw/zinc/87/39/69/427873969.db2.gz LHXJLQFTFJULOJ-FUHWJXTLSA-N 2 1 309.498 2.665 20 0 DFADMP CC[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000345808973 427914991 /nfs/dbraw/zinc/91/49/91/427914991.db2.gz SYLCJXNFENRSID-HOTGVXAUSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1ccc(C(=O)C2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346855689 272695372 /nfs/dbraw/zinc/69/53/72/272695372.db2.gz VFWHOTASDBVQJP-INIZCTEOSA-N 2 1 300.446 2.889 20 0 DFADMP CCC[N@@H+](C)Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000350660134 427963648 /nfs/dbraw/zinc/96/36/48/427963648.db2.gz URMWSACWSFUMRN-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340245401 427965137 /nfs/dbraw/zinc/96/51/37/427965137.db2.gz ALMBLJZHHDTHJN-RKTXRCNFSA-N 2 1 308.491 2.524 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340245401 427965145 /nfs/dbraw/zinc/96/51/45/427965145.db2.gz ALMBLJZHHDTHJN-RKTXRCNFSA-N 2 1 308.491 2.524 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256422 427968303 /nfs/dbraw/zinc/96/83/03/427968303.db2.gz HQBXSORAQGAZAD-XYPHTWIQSA-N 2 1 304.434 2.997 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256422 427968307 /nfs/dbraw/zinc/96/83/07/427968307.db2.gz HQBXSORAQGAZAD-XYPHTWIQSA-N 2 1 304.434 2.997 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340263441 427971434 /nfs/dbraw/zinc/97/14/34/427971434.db2.gz VXKBFCBSVJTXGQ-DJABAAGCSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340263441 427971436 /nfs/dbraw/zinc/97/14/36/427971436.db2.gz VXKBFCBSVJTXGQ-DJABAAGCSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340263441 427971441 /nfs/dbraw/zinc/97/14/41/427971441.db2.gz VXKBFCBSVJTXGQ-DJABAAGCSA-N 2 1 313.489 2.894 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(C(N)=O)cc2)n1 ZINC000369510735 427981825 /nfs/dbraw/zinc/98/18/25/427981825.db2.gz IHASKQMMNVWPSB-KRWDZBQOSA-N 2 1 324.428 2.565 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000340311627 427984648 /nfs/dbraw/zinc/98/46/48/427984648.db2.gz IXHREOCSPWTBGQ-ZSYWTGECSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C[C@H]1c1ccccc1 ZINC000340311627 427984651 /nfs/dbraw/zinc/98/46/51/427984651.db2.gz IXHREOCSPWTBGQ-ZSYWTGECSA-N 2 1 300.446 2.979 20 0 DFADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340317261 427985956 /nfs/dbraw/zinc/98/59/56/427985956.db2.gz VXFPNSDVJQZGJD-ROUUACIJSA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)C(=O)NCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340317261 427985962 /nfs/dbraw/zinc/98/59/62/427985962.db2.gz VXFPNSDVJQZGJD-ROUUACIJSA-N 2 1 317.477 2.574 20 0 DFADMP C[C@@H](CCNC(=O)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000356031086 427990543 /nfs/dbraw/zinc/99/05/43/427990543.db2.gz CXPJGTOPBXSUQI-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340179378 427945480 /nfs/dbraw/zinc/94/54/80/427945480.db2.gz VVXCJWWQQZJKMF-PKOBYXMFSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340179378 427945484 /nfs/dbraw/zinc/94/54/84/427945484.db2.gz VVXCJWWQQZJKMF-PKOBYXMFSA-N 2 1 303.494 2.971 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000359641231 427950600 /nfs/dbraw/zinc/95/06/00/427950600.db2.gz MVQXSNUGZQDNRG-PKOBYXMFSA-N 2 1 318.509 2.612 20 0 DFADMP CC(C)[N@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000359641231 427950606 /nfs/dbraw/zinc/95/06/06/427950606.db2.gz MVQXSNUGZQDNRG-PKOBYXMFSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[N@@H+](C)CCCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000359641231 427950614 /nfs/dbraw/zinc/95/06/14/427950614.db2.gz MVQXSNUGZQDNRG-PKOBYXMFSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000359641231 427950622 /nfs/dbraw/zinc/95/06/22/427950622.db2.gz MVQXSNUGZQDNRG-PKOBYXMFSA-N 3 1 318.509 2.612 20 0 DFADMP CC(C)[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000359641231 427950628 /nfs/dbraw/zinc/95/06/28/427950628.db2.gz MVQXSNUGZQDNRG-PKOBYXMFSA-N 3 1 318.509 2.612 20 0 DFADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359845956 428044759 /nfs/dbraw/zinc/04/47/59/428044759.db2.gz CJILJGOQTIMTJZ-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340361089 427998052 /nfs/dbraw/zinc/99/80/52/427998052.db2.gz ZSMKGUFYQJCMIJ-ZWKOTPCHSA-N 2 1 301.478 2.896 20 0 DFADMP COc1cc2[nH+]ccc(N[C@H]3CCC[N@@H+](C)[C@H]3C)c2cc1OC ZINC000413233382 427998217 /nfs/dbraw/zinc/99/82/17/427998217.db2.gz DFIJDQHLSFGCLA-JSGCOSHPSA-N 2 1 315.417 2.569 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340361159 427999353 /nfs/dbraw/zinc/99/93/53/427999353.db2.gz NXFZXXAIOJNZBA-QZTJIDSGSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340361159 427999359 /nfs/dbraw/zinc/99/93/59/427999359.db2.gz NXFZXXAIOJNZBA-QZTJIDSGSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCOC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340364924 428001880 /nfs/dbraw/zinc/00/18/80/428001880.db2.gz GDRJHVYORVLJBL-KGLIPLIRSA-N 2 1 302.340 2.948 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCOC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340364924 428001886 /nfs/dbraw/zinc/00/18/86/428001886.db2.gz GDRJHVYORVLJBL-KGLIPLIRSA-N 2 1 302.340 2.948 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000341189032 428007304 /nfs/dbraw/zinc/00/73/04/428007304.db2.gz NMRPYYVEPAYGAS-GJZGRUSLSA-N 2 1 303.454 2.826 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3nccn3C)c2)[C@H](C)C1 ZINC000369840309 428073275 /nfs/dbraw/zinc/07/32/75/428073275.db2.gz KWNRETHZIYWRBT-QAPCUYQASA-N 2 1 312.461 2.907 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000369834750 428074103 /nfs/dbraw/zinc/07/41/03/428074103.db2.gz LGFYCBJEVNMUTR-QDIHITRGSA-N 2 1 318.465 2.875 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212305 428074144 /nfs/dbraw/zinc/07/41/44/428074144.db2.gz QCZGTFSNRFCPKG-LSDHHAIUSA-N 2 1 304.438 2.611 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212305 428074150 /nfs/dbraw/zinc/07/41/50/428074150.db2.gz QCZGTFSNRFCPKG-LSDHHAIUSA-N 2 1 304.438 2.611 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212305 428074154 /nfs/dbraw/zinc/07/41/54/428074154.db2.gz QCZGTFSNRFCPKG-LSDHHAIUSA-N 2 1 304.438 2.611 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1 ZINC000346212305 428074159 /nfs/dbraw/zinc/07/41/59/428074159.db2.gz QCZGTFSNRFCPKG-LSDHHAIUSA-N 2 1 304.438 2.611 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)CC[N@H+]1C ZINC000369851617 428075932 /nfs/dbraw/zinc/07/59/32/428075932.db2.gz KFIOUIATGOGDEN-QXCFHYIPSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC[NH+]1C ZINC000369851617 428075935 /nfs/dbraw/zinc/07/59/35/428075935.db2.gz KFIOUIATGOGDEN-QXCFHYIPSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC[NH+]1C ZINC000369851617 428075938 /nfs/dbraw/zinc/07/59/38/428075938.db2.gz KFIOUIATGOGDEN-QXCFHYIPSA-N 2 1 301.478 2.752 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H](C)[C@@H]1C ZINC000346219923 428076773 /nfs/dbraw/zinc/07/67/73/428076773.db2.gz NLBDBAOYRYYDTB-KBPBESRZSA-N 2 1 302.447 2.902 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC(C)(C)[C@H]2[C@@H]2CCCO2)s1 ZINC000356232673 428081936 /nfs/dbraw/zinc/08/19/36/428081936.db2.gz AGAQXEQEOIKRLJ-DZGCQCFKSA-N 2 1 309.479 2.594 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351500733 428095512 /nfs/dbraw/zinc/09/55/12/428095512.db2.gz XGAHIAJOZQGQCT-XJNFMUPTSA-N 2 1 315.461 2.806 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351500733 428095518 /nfs/dbraw/zinc/09/55/18/428095518.db2.gz XGAHIAJOZQGQCT-XJNFMUPTSA-N 2 1 315.461 2.806 20 0 DFADMP COC1(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCCC1 ZINC000359972625 428099076 /nfs/dbraw/zinc/09/90/76/428099076.db2.gz WZYNFLQXKHCOAF-UHFFFAOYSA-N 2 1 302.462 2.984 20 0 DFADMP COC1(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCCC1 ZINC000359972625 428099080 /nfs/dbraw/zinc/09/90/80/428099080.db2.gz WZYNFLQXKHCOAF-UHFFFAOYSA-N 2 1 302.462 2.984 20 0 DFADMP CC(C)(O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377316229 428103397 /nfs/dbraw/zinc/10/33/97/428103397.db2.gz LKAZBABXRVOXOZ-ROUUACIJSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)(O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377316229 428103401 /nfs/dbraw/zinc/10/34/01/428103401.db2.gz LKAZBABXRVOXOZ-ROUUACIJSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)(O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377316229 428103404 /nfs/dbraw/zinc/10/34/04/428103404.db2.gz LKAZBABXRVOXOZ-ROUUACIJSA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000356285900 428105773 /nfs/dbraw/zinc/10/57/73/428105773.db2.gz XBHDEHVNEJYMRN-INIZCTEOSA-N 2 1 306.454 2.522 20 0 DFADMP CN(C(=O)CC1(C)CCCC1)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377361308 428112227 /nfs/dbraw/zinc/11/22/27/428112227.db2.gz BTZNSPAGXKWPRR-KRWDZBQOSA-N 2 1 321.509 2.584 20 0 DFADMP CN(C(=O)CC1(C)CCCC1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377361308 428112231 /nfs/dbraw/zinc/11/22/31/428112231.db2.gz BTZNSPAGXKWPRR-KRWDZBQOSA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016437 428117297 /nfs/dbraw/zinc/11/72/97/428117297.db2.gz MHGAEMMJKQBTSV-RDJZCZTQSA-N 2 1 318.461 2.662 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016437 428117300 /nfs/dbraw/zinc/11/73/00/428117300.db2.gz MHGAEMMJKQBTSV-RDJZCZTQSA-N 2 1 318.461 2.662 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016437 428117305 /nfs/dbraw/zinc/11/73/05/428117305.db2.gz MHGAEMMJKQBTSV-RDJZCZTQSA-N 2 1 318.461 2.662 20 0 DFADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOC1 ZINC000341588212 428117807 /nfs/dbraw/zinc/11/78/07/428117807.db2.gz FYBHNUZPSOFABX-IBGZPJMESA-N 2 1 320.452 2.849 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000360013751 428118470 /nfs/dbraw/zinc/11/84/70/428118470.db2.gz HKICBKVLDBSPBK-ZFWWWQNUSA-N 2 1 301.365 2.841 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394056 428121407 /nfs/dbraw/zinc/12/14/07/428121407.db2.gz SRVCSUKEHKLKLK-DOTOQJQBSA-N 2 1 319.497 2.788 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCCO)CC(C)(C)C ZINC000346198987 428065360 /nfs/dbraw/zinc/06/53/60/428065360.db2.gz GESZJJJANFSNFA-UHFFFAOYSA-N 2 1 316.449 2.806 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352211927 428131092 /nfs/dbraw/zinc/13/10/92/428131092.db2.gz MQMZJKCSPIHBRT-MRXNPFEDSA-N 2 1 312.461 2.909 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@H]3CC[NH3+])s2)cn1 ZINC000352546404 428144014 /nfs/dbraw/zinc/14/40/14/428144014.db2.gz USOMLKXMCUSLBY-AWEZNQCLSA-N 2 1 304.463 2.852 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000346387865 428151071 /nfs/dbraw/zinc/15/10/71/428151071.db2.gz OSQRMTOIHXPNMR-MAUKXSAKSA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC000346387869 428151435 /nfs/dbraw/zinc/15/14/35/428151435.db2.gz OSQRMTOIHXPNMR-YJBOKZPZSA-N 2 1 317.477 2.693 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccsc3)C2)nc(C)[nH+]1 ZINC000360095104 428159046 /nfs/dbraw/zinc/15/90/46/428159046.db2.gz FNJHYAGTVOSZIC-HNNXBMFYSA-N 2 1 302.447 2.914 20 0 DFADMP C[N@H+](C[C@H](O)c1cccc(Cl)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377646962 428183198 /nfs/dbraw/zinc/18/31/98/428183198.db2.gz SBSIYWFEAZKGNF-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1cccc(Cl)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377646962 428183201 /nfs/dbraw/zinc/18/32/01/428183201.db2.gz SBSIYWFEAZKGNF-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCO1)[C@@H]1CCC[NH+](CC[C@H]2CCCO2)CC1 ZINC000346424553 428165731 /nfs/dbraw/zinc/16/57/31/428165731.db2.gz CTIATEXLQDMEDU-CEXWTWQISA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCC[N@H+](CC[C@H]2CCCO2)CC1 ZINC000346424553 428165736 /nfs/dbraw/zinc/16/57/36/428165736.db2.gz CTIATEXLQDMEDU-CEXWTWQISA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](CC[C@@H]1CCCO1)[C@@H]1CCC[N@@H+](CC[C@H]2CCCO2)CC1 ZINC000346424553 428165740 /nfs/dbraw/zinc/16/57/40/428165740.db2.gz CTIATEXLQDMEDU-CEXWTWQISA-N 2 1 324.509 2.911 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377622475 428173678 /nfs/dbraw/zinc/17/36/78/428173678.db2.gz GRRUUWWTUQBPGQ-IBGZPJMESA-N 2 1 301.478 2.595 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377626754 428174787 /nfs/dbraw/zinc/17/47/87/428174787.db2.gz OGTBTFOVVMCUJF-XUVXKRRUSA-N 2 1 319.537 2.938 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)s1 ZINC000377630775 428179459 /nfs/dbraw/zinc/17/94/59/428179459.db2.gz SVBUOWSCUXSSFI-MRXNPFEDSA-N 2 1 307.507 2.516 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C)n2)[C@@H](C)C1 ZINC000360146912 428180635 /nfs/dbraw/zinc/18/06/35/428180635.db2.gz FABOLXKIJLWYKU-MAUKXSAKSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C)n2)[C@@H](C)C1 ZINC000360146912 428180639 /nfs/dbraw/zinc/18/06/39/428180639.db2.gz FABOLXKIJLWYKU-MAUKXSAKSA-N 2 1 305.466 2.617 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000414113637 428208565 /nfs/dbraw/zinc/20/85/65/428208565.db2.gz KZGOZWRWZCAIHD-IRXDYDNUSA-N 2 1 320.477 2.747 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000414110573 428208910 /nfs/dbraw/zinc/20/89/10/428208910.db2.gz ICNNAIUFIPRLRD-GOEBONIOSA-N 2 1 303.450 2.628 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000414110573 428208914 /nfs/dbraw/zinc/20/89/14/428208914.db2.gz ICNNAIUFIPRLRD-GOEBONIOSA-N 2 1 303.450 2.628 20 0 DFADMP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000360232653 428215842 /nfs/dbraw/zinc/21/58/42/428215842.db2.gz BXMSXPOHEVPMLR-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000360232653 428215845 /nfs/dbraw/zinc/21/58/45/428215845.db2.gz BXMSXPOHEVPMLR-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000360232653 428215848 /nfs/dbraw/zinc/21/58/48/428215848.db2.gz BXMSXPOHEVPMLR-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000360232653 428215850 /nfs/dbraw/zinc/21/58/50/428215850.db2.gz BXMSXPOHEVPMLR-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000377840949 428240924 /nfs/dbraw/zinc/24/09/24/428240924.db2.gz XGZADXOOJIMOGX-CJNGLKHVSA-N 2 1 300.406 2.586 20 0 DFADMP Cc1cnc([C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000352738876 428226148 /nfs/dbraw/zinc/22/61/48/428226148.db2.gz OVVSYVPGAGUIFB-SNVBAGLBSA-N 2 1 310.492 2.863 20 0 DFADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000414181168 428227586 /nfs/dbraw/zinc/22/75/86/428227586.db2.gz MCTXLOUAQRSGAR-WMLDXEAASA-N 2 1 316.424 2.960 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000414181168 428227591 /nfs/dbraw/zinc/22/75/91/428227591.db2.gz MCTXLOUAQRSGAR-WMLDXEAASA-N 2 1 316.424 2.960 20 0 DFADMP Cc1csc([C@@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)n1 ZINC000352742807 428230349 /nfs/dbraw/zinc/23/03/49/428230349.db2.gz QJMAQEBLKIPECE-JTQLQIEISA-N 2 1 310.492 2.863 20 0 DFADMP COc1cc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)ccc1C ZINC000352752817 428231591 /nfs/dbraw/zinc/23/15/91/428231591.db2.gz ZFMQYXKRGOKDPC-UHFFFAOYSA-N 2 1 319.474 2.854 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352754843 428232019 /nfs/dbraw/zinc/23/20/19/428232019.db2.gz KIGRFHKAVJAXQL-OAHLLOKOSA-N 2 1 324.538 2.662 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352754843 428232022 /nfs/dbraw/zinc/23/20/22/428232022.db2.gz KIGRFHKAVJAXQL-OAHLLOKOSA-N 2 1 324.538 2.662 20 0 DFADMP CC(C)C1CCC(C[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000352761850 428236760 /nfs/dbraw/zinc/23/67/60/428236760.db2.gz ZUTCTNHSDNVLIK-ABHNRTSZSA-N 2 1 323.525 2.626 20 0 DFADMP Cc1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000341872975 428237022 /nfs/dbraw/zinc/23/70/22/428237022.db2.gz QGGQJUPIPXRYNM-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)c1 ZINC000341872975 428237024 /nfs/dbraw/zinc/23/70/24/428237024.db2.gz QGGQJUPIPXRYNM-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP CC(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352761748 428238544 /nfs/dbraw/zinc/23/85/44/428238544.db2.gz ZFHXHFHJFDPVSS-CZUORRHYSA-N 2 1 311.495 2.746 20 0 DFADMP C[N@@H+]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2[C@H]1c1ccccc1 ZINC000377830700 428238848 /nfs/dbraw/zinc/23/88/48/428238848.db2.gz GUYHZXFIIPRVBS-HYVNUMGLSA-N 2 1 319.412 2.697 20 0 DFADMP C[N@H+]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2[C@H]1c1ccccc1 ZINC000377830700 428238853 /nfs/dbraw/zinc/23/88/53/428238853.db2.gz GUYHZXFIIPRVBS-HYVNUMGLSA-N 2 1 319.412 2.697 20 0 DFADMP C[C@@H]1CCC[C@](CNCc2ncc(C[NH+](C)C)s2)([NH+](C)C)C1 ZINC000352768415 428239945 /nfs/dbraw/zinc/23/99/45/428239945.db2.gz FMEJRYYSAFFGQB-PBHICJAKSA-N 2 1 324.538 2.805 20 0 DFADMP C[N@@H+](Cc1nc2ccc(F)cc2o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377673049 428190024 /nfs/dbraw/zinc/19/00/24/428190024.db2.gz IGELOCSTSJZNRG-LBPRGKRZSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](Cc1nc2ccc(F)cc2o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377673049 428190028 /nfs/dbraw/zinc/19/00/28/428190028.db2.gz IGELOCSTSJZNRG-LBPRGKRZSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@@H+](Cc1ccc(F)nc1)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377695020 428197808 /nfs/dbraw/zinc/19/78/08/428197808.db2.gz LRCGYIGRGAAPKL-UHFFFAOYSA-N 2 1 300.381 2.717 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCCC[C@H]2C)cn1 ZINC000414072183 428198646 /nfs/dbraw/zinc/19/86/46/428198646.db2.gz USCXYUFYSYIETL-XHSDSOJGSA-N 2 1 305.466 2.874 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCCC[C@H]2C)cn1 ZINC000414072183 428198650 /nfs/dbraw/zinc/19/86/50/428198650.db2.gz USCXYUFYSYIETL-XHSDSOJGSA-N 2 1 305.466 2.874 20 0 DFADMP c1cnn(CC[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)c1 ZINC000370652884 428263753 /nfs/dbraw/zinc/26/37/53/428263753.db2.gz VVNXOMVHNYZDRP-UHFFFAOYSA-N 2 1 324.472 2.871 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CCCc3[nH+]ccn32)cc1 ZINC000377945882 428268084 /nfs/dbraw/zinc/26/80/84/428268084.db2.gz DIVVVISNRSHUFH-MRXNPFEDSA-N 2 1 312.417 2.503 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@@H](C)C1 ZINC000414350833 428268044 /nfs/dbraw/zinc/26/80/44/428268044.db2.gz ZNXRSWVFVDYDGO-VVLHAWIVSA-N 2 1 306.450 2.862 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc(SC)s2)CC1 ZINC000352839827 428273132 /nfs/dbraw/zinc/27/31/32/428273132.db2.gz KZUHLZJILCTWNX-UHFFFAOYSA-N 2 1 300.493 2.670 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346689775 428273858 /nfs/dbraw/zinc/27/38/58/428273858.db2.gz STVRSLHEIZACFA-KBXCAEBGSA-N 2 1 312.461 2.717 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000346693394 428277686 /nfs/dbraw/zinc/27/76/86/428277686.db2.gz MVLHNWMAFYZWQQ-NWDGAFQWSA-N 2 1 302.340 2.797 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000342028921 428281949 /nfs/dbraw/zinc/28/19/49/428281949.db2.gz SEMXUQLROPCQBS-IBGZPJMESA-N 2 1 320.477 2.671 20 0 DFADMP CCn1cc(CC[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000370744005 428288519 /nfs/dbraw/zinc/28/85/19/428288519.db2.gz ZUIIMVOHUIZIKL-KRWDZBQOSA-N 2 1 316.493 2.642 20 0 DFADMP CCc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000414426582 428292832 /nfs/dbraw/zinc/29/28/32/428292832.db2.gz HRBZYMCKMRCWKI-GOEBONIOSA-N 2 1 302.466 2.782 20 0 DFADMP CCc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000414426582 428292836 /nfs/dbraw/zinc/29/28/36/428292836.db2.gz HRBZYMCKMRCWKI-GOEBONIOSA-N 2 1 302.466 2.782 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccncc1 ZINC000370577431 428243522 /nfs/dbraw/zinc/24/35/22/428243522.db2.gz GMYPIPURNYOKPB-CYGHRXIMSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1ccncc1 ZINC000370577431 428243527 /nfs/dbraw/zinc/24/35/27/428243527.db2.gz GMYPIPURNYOKPB-CYGHRXIMSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccncc1 ZINC000370577432 428244771 /nfs/dbraw/zinc/24/47/71/428244771.db2.gz GMYPIPURNYOKPB-MXSMSXNCSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1ccncc1 ZINC000370577432 428244775 /nfs/dbraw/zinc/24/47/75/428244775.db2.gz GMYPIPURNYOKPB-MXSMSXNCSA-N 2 1 303.450 2.622 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@@H]2CCC[C@H]21 ZINC000370586052 428246484 /nfs/dbraw/zinc/24/64/84/428246484.db2.gz ZXPMRUSUPKEFJF-AEGPPILISA-N 2 1 309.841 2.576 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360313689 428247996 /nfs/dbraw/zinc/24/79/96/428247996.db2.gz MIXKVVPEXMUVHS-KRWDZBQOSA-N 2 1 306.425 2.728 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360313689 428247999 /nfs/dbraw/zinc/24/79/99/428247999.db2.gz MIXKVVPEXMUVHS-KRWDZBQOSA-N 2 1 306.425 2.728 20 0 DFADMP CC(C)[C@@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360334165 428256363 /nfs/dbraw/zinc/25/63/63/428256363.db2.gz CAVFLNLSIUNGJG-QRQLOZEOSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360334163 428256873 /nfs/dbraw/zinc/25/68/73/428256873.db2.gz CAVFLNLSIUNGJG-NEWSRXKRSA-N 2 1 304.478 2.894 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)[C@H]1Oc1ccccc1 ZINC000346658365 428260470 /nfs/dbraw/zinc/26/04/70/428260470.db2.gz XYUCDLJCAXCKHP-GUDVDZBRSA-N 2 1 318.461 2.685 20 0 DFADMP CC[N@H+]1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000414330926 428261628 /nfs/dbraw/zinc/26/16/28/428261628.db2.gz CKUQEFACDPWXJH-PXNSSMCTSA-N 2 1 315.505 2.766 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000370879053 428313307 /nfs/dbraw/zinc/31/33/07/428313307.db2.gz LAMKOGNFAKQSRG-LMMKCTJWSA-N 2 1 305.510 2.810 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000370879053 428313310 /nfs/dbraw/zinc/31/33/10/428313310.db2.gz LAMKOGNFAKQSRG-LMMKCTJWSA-N 2 1 305.510 2.810 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000370879053 428313312 /nfs/dbraw/zinc/31/33/12/428313312.db2.gz LAMKOGNFAKQSRG-LMMKCTJWSA-N 2 1 305.510 2.810 20 0 DFADMP COC(=O)[C@@]12C[N@@H+](CC[C@@H]3CCCC[NH+]3C)C[C@H]1CCCC2 ZINC000342135958 428315207 /nfs/dbraw/zinc/31/52/07/428315207.db2.gz UPPDMQTYMBXNQI-RYRKJORJSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@@]12C[NH+](CC[C@@H]3CCCC[N@@H+]3C)C[C@H]1CCCC2 ZINC000342135958 428315212 /nfs/dbraw/zinc/31/52/12/428315212.db2.gz UPPDMQTYMBXNQI-RYRKJORJSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@@]12C[NH+](CC[C@@H]3CCCC[N@H+]3C)C[C@H]1CCCC2 ZINC000342135958 428315218 /nfs/dbraw/zinc/31/52/18/428315218.db2.gz UPPDMQTYMBXNQI-RYRKJORJSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000352928074 428318220 /nfs/dbraw/zinc/31/82/20/428318220.db2.gz BRULBIDXJFUUTB-CZUORRHYSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000352928074 428318225 /nfs/dbraw/zinc/31/82/25/428318225.db2.gz BRULBIDXJFUUTB-CZUORRHYSA-N 2 1 303.450 2.831 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000356827249 428326474 /nfs/dbraw/zinc/32/64/74/428326474.db2.gz ZFIPPIBNPRKVRW-OAHLLOKOSA-N 2 1 309.498 2.630 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346818229 428329292 /nfs/dbraw/zinc/32/92/92/428329292.db2.gz GYSVIWVBUWGOQA-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c1 ZINC000346818228 428330372 /nfs/dbraw/zinc/33/03/72/428330372.db2.gz GYSVIWVBUWGOQA-WMLDXEAASA-N 2 1 304.434 2.840 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000378202761 428332553 /nfs/dbraw/zinc/33/25/53/428332553.db2.gz OBRVWZIUCXFHCY-IBGZPJMESA-N 2 1 317.477 2.547 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c(OC)c1 ZINC000346830151 428335699 /nfs/dbraw/zinc/33/56/99/428335699.db2.gz KAULAGWDPZSCNJ-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346841271 428341164 /nfs/dbraw/zinc/34/11/64/428341164.db2.gz GYXDZZWTTKLMLP-XHSDSOJGSA-N 2 1 304.434 2.653 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000346858465 428348645 /nfs/dbraw/zinc/34/86/45/428348645.db2.gz BHLNORISJANNDY-NZSAHSFTSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCOC1 ZINC000346858465 428348653 /nfs/dbraw/zinc/34/86/53/428348653.db2.gz BHLNORISJANNDY-NZSAHSFTSA-N 2 1 302.462 2.913 20 0 DFADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342101405 428300541 /nfs/dbraw/zinc/30/05/41/428300541.db2.gz KQMCOAXYHPJTPZ-IAOVAPTHSA-N 2 1 306.475 2.847 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000342110508 428302742 /nfs/dbraw/zinc/30/27/42/428302742.db2.gz SMMFRGOUMHPWJG-MWDXBVQZSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000342110508 428302747 /nfs/dbraw/zinc/30/27/47/428302747.db2.gz SMMFRGOUMHPWJG-MWDXBVQZSA-N 2 1 315.461 2.690 20 0 DFADMP COC(=O)[C@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@@H]1CCCC2 ZINC000342110121 428302973 /nfs/dbraw/zinc/30/29/73/428302973.db2.gz CVQKWGUBBJCHQY-FUHWJXTLSA-N 2 1 308.466 2.528 20 0 DFADMP C[NH+]1CCN(C(=O)CC[NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000342112872 428304859 /nfs/dbraw/zinc/30/48/59/428304859.db2.gz NTIQTMCLIXCVOA-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC[NH2+]1 ZINC000414743317 428391512 /nfs/dbraw/zinc/39/15/12/428391512.db2.gz VBMUOQKTBVFAFF-BRWVUGGUSA-N 2 1 315.461 2.725 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CCNC[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746365 428392998 /nfs/dbraw/zinc/39/29/98/428392998.db2.gz ZDSVMGOJXDWDQZ-JKIFEVAISA-N 2 1 307.869 2.674 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@@H]2c2ccccc2Cl)CC[NH2+]1 ZINC000414746365 428393004 /nfs/dbraw/zinc/39/30/04/428393004.db2.gz ZDSVMGOJXDWDQZ-JKIFEVAISA-N 2 1 307.869 2.674 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]1 ZINC000414760906 428395215 /nfs/dbraw/zinc/39/52/15/428395215.db2.gz HWIDBFGOYFLGAD-ZACQAIPSSA-N 2 1 316.493 2.787 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378436609 428395214 /nfs/dbraw/zinc/39/52/14/428395214.db2.gz QOKZQWSJEJTXHS-IAGOWNOFSA-N 2 1 319.468 2.846 20 0 DFADMP COc1ccc(C[N@H+](C[C@H]([NH3+])CC(C)C)[C@H](CO)C(C)C)cc1 ZINC000414757108 428395347 /nfs/dbraw/zinc/39/53/47/428395347.db2.gz KVTHNBKJUVMUAE-IEBWSBKVSA-N 2 1 322.493 2.888 20 0 DFADMP COc1ccc(C[N@@H+](C[C@H]([NH3+])CC(C)C)[C@H](CO)C(C)C)cc1 ZINC000414757108 428395355 /nfs/dbraw/zinc/39/53/55/428395355.db2.gz KVTHNBKJUVMUAE-IEBWSBKVSA-N 2 1 322.493 2.888 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)CC[NH2+]1 ZINC000414760901 428395526 /nfs/dbraw/zinc/39/55/26/428395526.db2.gz HWIDBFGOYFLGAD-IKGGRYGDSA-N 2 1 316.493 2.787 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378436610 428395696 /nfs/dbraw/zinc/39/56/96/428395696.db2.gz QOKZQWSJEJTXHS-IRXDYDNUSA-N 2 1 319.468 2.846 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684756 428397746 /nfs/dbraw/zinc/39/77/46/428397746.db2.gz GXSKPQZDIQHBGZ-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684756 428397752 /nfs/dbraw/zinc/39/77/52/428397752.db2.gz GXSKPQZDIQHBGZ-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684756 428397760 /nfs/dbraw/zinc/39/77/60/428397760.db2.gz GXSKPQZDIQHBGZ-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684756 428397767 /nfs/dbraw/zinc/39/77/67/428397767.db2.gz GXSKPQZDIQHBGZ-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684756 428397772 /nfs/dbraw/zinc/39/77/72/428397772.db2.gz GXSKPQZDIQHBGZ-IEBWSBKVSA-N 2 1 300.446 2.992 20 0 DFADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414764714 428398061 /nfs/dbraw/zinc/39/80/61/428398061.db2.gz OUFZBHXEKBYLMW-IKGGRYGDSA-N 2 1 317.477 2.526 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414774620 428400065 /nfs/dbraw/zinc/40/00/65/428400065.db2.gz FMZVKKUSAIMANY-KGLIPLIRSA-N 2 1 316.474 2.960 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)c2)cn1 ZINC000414774684 428400452 /nfs/dbraw/zinc/40/04/52/428400452.db2.gz FSGXTIAZKHZKAC-LSDHHAIUSA-N 2 1 316.474 2.755 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2ccnc2)cc1F ZINC000378466564 428402856 /nfs/dbraw/zinc/40/28/56/428402856.db2.gz KUFWGCJUDZRWNY-ZDUSSCGKSA-N 3 1 313.380 2.867 20 0 DFADMP COc1cccc(Cl)c1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414790131 428414308 /nfs/dbraw/zinc/41/43/08/428414308.db2.gz ZNKSXOSMQCDESR-ZDUSSCGKSA-N 2 1 324.852 2.536 20 0 DFADMP COc1cccc(Cl)c1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414790131 428414313 /nfs/dbraw/zinc/41/43/13/428414313.db2.gz ZNKSXOSMQCDESR-ZDUSSCGKSA-N 2 1 324.852 2.536 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000414785302 428405975 /nfs/dbraw/zinc/40/59/75/428405975.db2.gz SIUJGYOQEUFVFE-ROUUACIJSA-N 2 1 310.445 2.694 20 0 DFADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414784087 428408179 /nfs/dbraw/zinc/40/81/79/428408179.db2.gz QSYRBKRXXXRLRA-SJORKVTESA-N 2 1 310.445 2.694 20 0 DFADMP c1c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789956 428409810 /nfs/dbraw/zinc/40/98/10/428409810.db2.gz ZCTUKYDKRXJXPW-DLBZAZTESA-N 2 1 310.445 2.898 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347021862 428409969 /nfs/dbraw/zinc/40/99/69/428409969.db2.gz NXELRZZPTGQEBF-CMPLNLGQSA-N 2 1 302.340 2.986 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347021862 428409973 /nfs/dbraw/zinc/40/99/73/428409973.db2.gz NXELRZZPTGQEBF-CMPLNLGQSA-N 2 1 302.340 2.986 20 0 DFADMP Brc1cncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786647 428410033 /nfs/dbraw/zinc/41/00/33/428410033.db2.gz UQUJKGTWFWEKNA-UONOGXRCSA-N 2 1 324.266 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCCOc2ccccc2)CC12CCOCC2 ZINC000414789678 428410136 /nfs/dbraw/zinc/41/01/36/428410136.db2.gz YLDQRYHQUJNNSZ-KRWDZBQOSA-N 2 1 318.461 2.533 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000347024291 428411103 /nfs/dbraw/zinc/41/11/03/428411103.db2.gz QQQGDKIBUVDQAE-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CCCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1OC ZINC000347024291 428411109 /nfs/dbraw/zinc/41/11/09/428411109.db2.gz QQQGDKIBUVDQAE-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CCC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)C1CC[NH2+]CC1 ZINC000347024789 428411314 /nfs/dbraw/zinc/41/13/14/428411314.db2.gz RJVNKQKOXZZITN-UHFFFAOYSA-N 2 1 313.449 2.540 20 0 DFADMP COC(=O)CCC[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371099360 428360089 /nfs/dbraw/zinc/36/00/89/428360089.db2.gz KOSFZTJKUULYOY-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371099360 428360093 /nfs/dbraw/zinc/36/00/93/428360093.db2.gz KOSFZTJKUULYOY-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371099360 428360096 /nfs/dbraw/zinc/36/00/96/428360096.db2.gz KOSFZTJKUULYOY-GOSISDBHSA-N 2 1 318.461 2.926 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414792022 428413348 /nfs/dbraw/zinc/41/33/48/428413348.db2.gz BUVFQRKUMQLYOU-GUYCJALGSA-N 2 1 303.450 2.854 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000356985375 428368919 /nfs/dbraw/zinc/36/89/19/428368919.db2.gz NZKCITJWVMRBHQ-YDZRNGNQSA-N 2 1 307.526 2.771 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccccn3)C2)nc(C)[nH+]1 ZINC000371151625 428370900 /nfs/dbraw/zinc/37/09/00/428370900.db2.gz OVSUNZRZGIMXOB-ZBFHGGJFSA-N 2 1 311.433 2.808 20 0 DFADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414676041 428372497 /nfs/dbraw/zinc/37/24/97/428372497.db2.gz MTPNIUIEMABPTO-JFIYKMOQSA-N 2 1 318.461 2.686 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000353068937 428373627 /nfs/dbraw/zinc/37/36/27/428373627.db2.gz FGNQTRCRMDCGJF-OAHLLOKOSA-N 2 1 315.465 2.786 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414675907 428374124 /nfs/dbraw/zinc/37/41/24/428374124.db2.gz MMZAUESVNINGBE-IRXDYDNUSA-N 2 1 317.477 2.870 20 0 DFADMP C[C@@H]1C[C@H](CN2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688838 428375086 /nfs/dbraw/zinc/37/50/86/428375086.db2.gz JSVQAVPKJMWFHU-IEBWSBKVSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CCCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688838 428375089 /nfs/dbraw/zinc/37/50/89/428375089.db2.gz JSVQAVPKJMWFHU-IEBWSBKVSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688838 428375090 /nfs/dbraw/zinc/37/50/90/428375090.db2.gz JSVQAVPKJMWFHU-IEBWSBKVSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@H]1C[C@H](C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414684844 428375455 /nfs/dbraw/zinc/37/54/55/428375455.db2.gz WZMNYCVJKPKBDF-FUHWJXTLSA-N 2 1 319.468 2.722 20 0 DFADMP COCC[N@@H+](CCCc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414684279 428375507 /nfs/dbraw/zinc/37/55/07/428375507.db2.gz CZPQBJBZGMKMAC-IEBWSBKVSA-N 2 1 304.478 2.956 20 0 DFADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000357066713 428377131 /nfs/dbraw/zinc/37/71/31/428377131.db2.gz CDCLFZVAXLHTRU-AWEZNQCLSA-N 2 1 321.852 2.600 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000414694022 428379198 /nfs/dbraw/zinc/37/91/98/428379198.db2.gz NJDMZNPPBOSENX-WMZOPIPTSA-N 2 1 317.477 2.502 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](CNC(=O)c2ccccc2)C1 ZINC000414694022 428379203 /nfs/dbraw/zinc/37/92/03/428379203.db2.gz NJDMZNPPBOSENX-WMZOPIPTSA-N 2 1 317.477 2.502 20 0 DFADMP C[C@H](C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414705650 428380315 /nfs/dbraw/zinc/38/03/15/428380315.db2.gz FVEPJVVNAYEGQC-CQSZACIVSA-N 2 1 318.465 2.920 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371294529 428380895 /nfs/dbraw/zinc/38/08/95/428380895.db2.gz LLFWCIXFVDRELC-CEXWTWQISA-N 2 1 302.462 2.987 20 0 DFADMP CCN(C[C@@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1)CC(F)(F)F ZINC000414702563 428381102 /nfs/dbraw/zinc/38/11/02/428381102.db2.gz IQTLRDVBZQYEJU-KBPBESRZSA-N 2 1 309.420 2.566 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1)CC(F)(F)F ZINC000414702563 428381106 /nfs/dbraw/zinc/38/11/06/428381106.db2.gz IQTLRDVBZQYEJU-KBPBESRZSA-N 2 1 309.420 2.566 20 0 DFADMP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414704406 428381509 /nfs/dbraw/zinc/38/15/09/428381509.db2.gz NFRPODQLQQKTFQ-BHIYHBOVSA-N 2 1 304.478 2.894 20 0 DFADMP CCS[C@H](C)c1noc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414714906 428382706 /nfs/dbraw/zinc/38/27/06/428382706.db2.gz WCLCBDNBCAERLL-XQQFMLRXSA-N 2 1 312.483 2.704 20 0 DFADMP CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414714906 428382710 /nfs/dbraw/zinc/38/27/10/428382710.db2.gz WCLCBDNBCAERLL-XQQFMLRXSA-N 2 1 312.483 2.704 20 0 DFADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000357101751 428386511 /nfs/dbraw/zinc/38/65/11/428386511.db2.gz DSVCZCYYTYITIS-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000357101751 428386515 /nfs/dbraw/zinc/38/65/15/428386515.db2.gz DSVCZCYYTYITIS-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@H]3[C@@H](C)[NH3+])sc2C1 ZINC000347074696 428434613 /nfs/dbraw/zinc/43/46/13/428434613.db2.gz TVKQGJJIWKXUNI-HIFRSBDPSA-N 2 1 322.522 2.611 20 0 DFADMP COc1cc(C[NH2+]CC2([NH3+])CCCCCC2)cc2c1OCCO2 ZINC000414858757 428434795 /nfs/dbraw/zinc/43/47/95/428434795.db2.gz LCUXEPRAIGNDKV-UHFFFAOYSA-N 2 1 320.433 2.608 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414859308 428435507 /nfs/dbraw/zinc/43/55/07/428435507.db2.gz MFLMNQPBJUHPAW-UHFFFAOYSA-N 2 1 323.181 2.750 20 0 DFADMP COc1cc(C[NH2+]CC2([NH3+])CCCCCC2)cc2c1OCO2 ZINC000414857377 428436376 /nfs/dbraw/zinc/43/63/76/428436376.db2.gz DBBNWLUJELDTNH-UHFFFAOYSA-N 2 1 306.406 2.565 20 0 DFADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414868955 428439266 /nfs/dbraw/zinc/43/92/66/428439266.db2.gz ARYOBRXUZWHSOV-OAHLLOKOSA-N 2 1 301.409 2.921 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCNC1 ZINC000414873550 428440561 /nfs/dbraw/zinc/44/05/61/428440561.db2.gz YBRWOWBUWREFFF-CABCVRRESA-N 2 1 303.450 2.869 20 0 DFADMP c1ccc(N2CCC([NH2+]CCC[NH2+]Cc3cccnc3)CC2)cc1 ZINC000414875217 428440790 /nfs/dbraw/zinc/44/07/90/428440790.db2.gz IWBLMGHRUYLEDG-UHFFFAOYSA-N 2 1 324.472 2.820 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCNC1 ZINC000414873551 428441014 /nfs/dbraw/zinc/44/10/14/428441014.db2.gz YBRWOWBUWREFFF-GJZGRUSLSA-N 2 1 303.450 2.869 20 0 DFADMP FC(F)Oc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414879609 428445278 /nfs/dbraw/zinc/44/52/78/428445278.db2.gz PGQWWPJKENBLHZ-UHFFFAOYSA-N 2 1 321.371 2.953 20 0 DFADMP CCC[N@H+](Cc1cnc(N(CC)CC)s1)C1CC[NH2+]CC1 ZINC000347106137 428446192 /nfs/dbraw/zinc/44/61/92/428446192.db2.gz OACLYYUXKCUXBS-UHFFFAOYSA-N 2 1 310.511 2.953 20 0 DFADMP CCC[N@@H+](Cc1cnc(N(CC)CC)s1)C1CC[NH2+]CC1 ZINC000347106137 428446196 /nfs/dbraw/zinc/44/61/96/428446196.db2.gz OACLYYUXKCUXBS-UHFFFAOYSA-N 2 1 310.511 2.953 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000360809819 428447112 /nfs/dbraw/zinc/44/71/12/428447112.db2.gz IYZVXWZKCARFOB-UHFFFAOYSA-N 2 1 315.446 2.833 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357241512 428450802 /nfs/dbraw/zinc/45/08/02/428450802.db2.gz XLJYWNRVKYSNNL-SCTDSRPQSA-N 2 1 320.477 2.538 20 0 DFADMP C[C@@]1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000414920379 428456512 /nfs/dbraw/zinc/45/65/12/428456512.db2.gz ZGFJWVDVVCVDPP-LJQANCHMSA-N 2 1 301.478 2.630 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000385379661 428460002 /nfs/dbraw/zinc/46/00/02/428460002.db2.gz ZCMHYYPRHSNSBS-VQIMIIECSA-N 2 1 304.478 2.988 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000414924395 428459969 /nfs/dbraw/zinc/45/99/69/428459969.db2.gz KCUFRFWZHFERED-RYUDHWBXSA-N 2 1 313.239 2.817 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccccc1)[C@H](C)C1CC1 ZINC000385379658 428460447 /nfs/dbraw/zinc/46/04/47/428460447.db2.gz ZCMHYYPRHSNSBS-APWZRJJASA-N 2 1 304.478 2.988 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000414924243 428461299 /nfs/dbraw/zinc/46/12/99/428461299.db2.gz IMPLCBNKHAHOTI-BMFZPTHFSA-N 2 1 306.450 2.613 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347137361 428463004 /nfs/dbraw/zinc/46/30/04/428463004.db2.gz UGQQDKZFUTXWQK-CHWSQXEVSA-N 2 1 302.397 2.775 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347137361 428463008 /nfs/dbraw/zinc/46/30/08/428463008.db2.gz UGQQDKZFUTXWQK-CHWSQXEVSA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414936693 428464135 /nfs/dbraw/zinc/46/41/35/428464135.db2.gz DBVFCUBNAPPEBF-NUEKZKHPSA-N 2 1 306.450 2.755 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414942483 428465614 /nfs/dbraw/zinc/46/56/14/428465614.db2.gz DNYHPVDYKZRCGL-PWSUYJOCSA-N 2 1 313.239 2.688 20 0 DFADMP COc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1OC(F)F ZINC000414952000 428468037 /nfs/dbraw/zinc/46/80/37/428468037.db2.gz QITAXHYGZVYBIZ-PWSUYJOCSA-N 2 1 300.349 2.527 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c1OC(F)F ZINC000414951998 428468917 /nfs/dbraw/zinc/46/89/17/428468917.db2.gz QITAXHYGZVYBIZ-CMPLNLGQSA-N 2 1 300.349 2.527 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000414802058 428416466 /nfs/dbraw/zinc/41/64/66/428416466.db2.gz JWLUWGHWEGGGMF-UHFFFAOYSA-N 2 1 302.365 2.904 20 0 DFADMP OCc1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000378508122 428417438 /nfs/dbraw/zinc/41/74/38/428417438.db2.gz OLZSFZYSWDZXSO-LJQANCHMSA-N 2 1 302.462 2.877 20 0 DFADMP OCc1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000378508122 428417443 /nfs/dbraw/zinc/41/74/43/428417443.db2.gz OLZSFZYSWDZXSO-LJQANCHMSA-N 2 1 302.462 2.877 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000414805327 428417738 /nfs/dbraw/zinc/41/77/38/428417738.db2.gz YGLHYFLDXOSJMN-ZANVPECISA-N 2 1 301.203 2.805 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414815112 428420669 /nfs/dbraw/zinc/42/06/69/428420669.db2.gz ZYGBQWFXBSDRIM-UYAOXDASSA-N 2 1 315.505 2.801 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2F)c1C ZINC000414829736 428426861 /nfs/dbraw/zinc/42/68/61/428426861.db2.gz BJHCNYQYIUXXBD-NSHDSACASA-N 2 1 322.403 2.712 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C[C@@H]1C ZINC000414838389 428429022 /nfs/dbraw/zinc/42/90/22/428429022.db2.gz KPVSGQLBZBOYSA-QMCVQRASSA-N 2 1 310.482 2.852 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000378590413 428431964 /nfs/dbraw/zinc/43/19/64/428431964.db2.gz QFEBUWUQSPGSSY-UHFFFAOYSA-N 2 1 307.829 2.769 20 0 DFADMP C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414847570 428432837 /nfs/dbraw/zinc/43/28/37/428432837.db2.gz FUTVUJMSRHRFRQ-HKUYNNGSSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414847570 428432839 /nfs/dbraw/zinc/43/28/39/428432839.db2.gz FUTVUJMSRHRFRQ-HKUYNNGSSA-N 3 1 315.505 2.671 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196582 428480932 /nfs/dbraw/zinc/48/09/32/428480932.db2.gz DGQUMGAMOOATEW-CVEARBPZSA-N 2 1 323.481 2.674 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414983484 428480979 /nfs/dbraw/zinc/48/09/79/428480979.db2.gz ZRVVFOBUMHLVDD-CQSZACIVSA-N 2 1 302.447 2.683 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000414979364 428481131 /nfs/dbraw/zinc/48/11/31/428481131.db2.gz NTIYWOXUWWPRBB-QGZVFWFLSA-N 2 1 321.428 2.761 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1ccccc1Br ZINC000414996675 428483789 /nfs/dbraw/zinc/48/37/89/428483789.db2.gz GQLFKADPMOXDDG-LLVKDONJSA-N 2 1 319.193 2.784 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)C1CCCC1 ZINC000372679120 428485719 /nfs/dbraw/zinc/48/57/19/428485719.db2.gz DBXSKAIWOQCENV-KANFNMMFSA-N 2 1 324.509 2.671 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C1CCCC1 ZINC000372679120 428485724 /nfs/dbraw/zinc/48/57/24/428485724.db2.gz DBXSKAIWOQCENV-KANFNMMFSA-N 2 1 324.509 2.671 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000414998653 428485801 /nfs/dbraw/zinc/48/58/01/428485801.db2.gz IJONKGLILKSGTK-LLVKDONJSA-N 2 1 324.400 2.540 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2Cc3ccccc3N(C)C2)[C@@H](C)C1 ZINC000372682029 428488000 /nfs/dbraw/zinc/48/80/00/428488000.db2.gz LJKYGUAIXGHEDX-JZXOWHBKSA-N 2 1 301.478 2.615 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1 ZINC000357340170 428491689 /nfs/dbraw/zinc/49/16/89/428491689.db2.gz DWXMTPKZPAROAQ-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415035184 428495976 /nfs/dbraw/zinc/49/59/76/428495976.db2.gz DNFCAGZXENJWKP-VQTJNVASSA-N 2 1 324.472 2.895 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415035184 428495981 /nfs/dbraw/zinc/49/59/81/428495981.db2.gz DNFCAGZXENJWKP-VQTJNVASSA-N 2 1 324.472 2.895 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000360933047 428497191 /nfs/dbraw/zinc/49/71/91/428497191.db2.gz IDNJGWJLJCIGHD-IEBWSBKVSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360933047 428497196 /nfs/dbraw/zinc/49/71/96/428497196.db2.gz IDNJGWJLJCIGHD-IEBWSBKVSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360933047 428497201 /nfs/dbraw/zinc/49/72/01/428497201.db2.gz IDNJGWJLJCIGHD-IEBWSBKVSA-N 2 1 303.494 2.827 20 0 DFADMP CC[C@H](Cc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047164 428497294 /nfs/dbraw/zinc/49/72/94/428497294.db2.gz DXKBZVGUQIVCMD-XEVCZEQESA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000396344734 428497406 /nfs/dbraw/zinc/49/74/06/428497406.db2.gz PAVYJMJODPMGCR-AOIWGVFYSA-N 2 1 301.478 2.581 20 0 DFADMP c1c2ccccc2oc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415045956 428497688 /nfs/dbraw/zinc/49/76/88/428497688.db2.gz CCBPLAZDQQIAAZ-UHFFFAOYSA-N 2 1 313.445 2.739 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415052689 428500261 /nfs/dbraw/zinc/50/02/61/428500261.db2.gz NLWBPOBMUGVTDG-HOCLYGCPSA-N 2 1 322.522 2.953 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415052689 428500267 /nfs/dbraw/zinc/50/02/67/428500267.db2.gz NLWBPOBMUGVTDG-HOCLYGCPSA-N 2 1 322.522 2.953 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)OCCO2 ZINC000415050444 428501202 /nfs/dbraw/zinc/50/12/02/428501202.db2.gz CQVICEMJTJOGHA-SJKOYZFVSA-N 2 1 322.474 2.596 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)OCCO2 ZINC000415050444 428501209 /nfs/dbraw/zinc/50/12/09/428501209.db2.gz CQVICEMJTJOGHA-SJKOYZFVSA-N 2 1 322.474 2.596 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@]1(C)C[NH3+] ZINC000415050901 428501356 /nfs/dbraw/zinc/50/13/56/428501356.db2.gz DUFMHRKOBDVICR-ATZDWAIDSA-N 2 1 318.461 2.661 20 0 DFADMP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1OC ZINC000415053785 428501666 /nfs/dbraw/zinc/50/16/66/428501666.db2.gz PCRZYQWRAYJEOS-GOEBONIOSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1OC ZINC000415053785 428501671 /nfs/dbraw/zinc/50/16/71/428501671.db2.gz PCRZYQWRAYJEOS-GOEBONIOSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415057039 428502872 /nfs/dbraw/zinc/50/28/72/428502872.db2.gz SYTGHBBOAUABHK-HZPDHXFCSA-N 2 1 304.434 2.668 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058715 428504605 /nfs/dbraw/zinc/50/46/05/428504605.db2.gz WLSNGNPXBSUFLR-AUUYWEPGSA-N 2 1 312.461 2.906 20 0 DFADMP COc1ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc1Br ZINC000415061541 428506695 /nfs/dbraw/zinc/50/66/95/428506695.db2.gz YJHGDQIGJWZRPZ-CYBMUJFWSA-N 2 1 315.255 2.921 20 0 DFADMP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000415066246 428507520 /nfs/dbraw/zinc/50/75/20/428507520.db2.gz OGFKHZJAIJXMBR-CXAGYDPISA-N 2 1 319.449 2.519 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000357391154 428511663 /nfs/dbraw/zinc/51/16/63/428511663.db2.gz LNOBPASBDRFTME-NXHRZFHOSA-N 2 1 317.477 2.668 20 0 DFADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC000343074796 428513746 /nfs/dbraw/zinc/51/37/46/428513746.db2.gz WYIWXKUJNOKVIU-KRWDZBQOSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000398018169 428516447 /nfs/dbraw/zinc/51/64/47/428516447.db2.gz ILYVJPZVVZOJQB-YSHGAJCASA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398018169 428516452 /nfs/dbraw/zinc/51/64/52/428516452.db2.gz ILYVJPZVVZOJQB-YSHGAJCASA-N 2 1 301.478 2.757 20 0 DFADMP Clc1cc(Br)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398337567 428517542 /nfs/dbraw/zinc/51/75/42/428517542.db2.gz BPPDPBVJKKEIML-VIFPVBQESA-N 2 1 303.631 2.802 20 0 DFADMP Cc1cccc2c1C[NH2+]CCN2Cc1ncc(C[NH+](C)C)s1 ZINC000415100990 428517576 /nfs/dbraw/zinc/51/75/76/428517576.db2.gz MUTBRRXTDLGNQN-UHFFFAOYSA-N 2 1 316.474 2.623 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@@H]1C[NH3+] ZINC000415133761 428531855 /nfs/dbraw/zinc/53/18/55/428531855.db2.gz VLUQPFAIIZWHPZ-STQMWFEESA-N 2 1 302.447 2.622 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@@H]1C[NH3+] ZINC000415133761 428531859 /nfs/dbraw/zinc/53/18/59/428531859.db2.gz VLUQPFAIIZWHPZ-STQMWFEESA-N 2 1 302.447 2.622 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2ccsc2)CC1 ZINC000360974099 428522948 /nfs/dbraw/zinc/52/29/48/428522948.db2.gz DFMUZYGYGHZZMY-SFHVURJKSA-N 2 1 321.534 2.783 20 0 DFADMP CCC[C@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000343155702 428528214 /nfs/dbraw/zinc/52/82/14/428528214.db2.gz WEHKDQLMQIZAGP-RYQLBKOJSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414959173 428472044 /nfs/dbraw/zinc/47/20/44/428472044.db2.gz XBJNEMSKPHXKBQ-BLLLJJGKSA-N 2 1 316.424 2.858 20 0 DFADMP C[C@@H](CCNc1cc[nH+]cc1Br)[NH+]1CCCCC1 ZINC000342850248 428473108 /nfs/dbraw/zinc/47/31/08/428473108.db2.gz MJIADXGMRDLCQC-LBPRGKRZSA-N 2 1 312.255 2.942 20 0 DFADMP CC[N@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000390694455 428473891 /nfs/dbraw/zinc/47/38/91/428473891.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390694455 428473894 /nfs/dbraw/zinc/47/38/94/428473894.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390694455 428473898 /nfs/dbraw/zinc/47/38/98/428473898.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390694455 428473903 /nfs/dbraw/zinc/47/39/03/428473903.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390694455 428473907 /nfs/dbraw/zinc/47/39/07/428473907.db2.gz QZUUIDOFWBHLMA-UMQXSMKFSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000390797589 428476230 /nfs/dbraw/zinc/47/62/30/428476230.db2.gz LBFFSWSTPBTVHM-RRFJBIMHSA-N 2 1 313.486 2.610 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000390797589 428476234 /nfs/dbraw/zinc/47/62/34/428476234.db2.gz LBFFSWSTPBTVHM-RRFJBIMHSA-N 2 1 313.486 2.610 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000343853544 428582351 /nfs/dbraw/zinc/58/23/51/428582351.db2.gz NTPOEXUJQNFNCK-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000343853544 428582354 /nfs/dbraw/zinc/58/23/54/428582354.db2.gz NTPOEXUJQNFNCK-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000343853544 428582356 /nfs/dbraw/zinc/58/23/56/428582356.db2.gz NTPOEXUJQNFNCK-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000343853544 428582357 /nfs/dbraw/zinc/58/23/57/428582357.db2.gz NTPOEXUJQNFNCK-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](CC)CC ZINC000358123523 428582424 /nfs/dbraw/zinc/58/24/24/428582424.db2.gz MVWIQEPVDJLRFK-LZLYRXPVSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@@H+]1CCC[C@H]1[C@H]1CCCN1c1cc[nH+]cc1Br ZINC000373462105 428582824 /nfs/dbraw/zinc/58/28/24/428582824.db2.gz QHHWMRMKTIBXLJ-UONOGXRCSA-N 2 1 310.239 2.907 20 0 DFADMP C[N@H+]1CCC[C@H]1[C@H]1CCCN1c1cc[nH+]cc1Br ZINC000373462105 428582829 /nfs/dbraw/zinc/58/28/29/428582829.db2.gz QHHWMRMKTIBXLJ-UONOGXRCSA-N 2 1 310.239 2.907 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609175 428583129 /nfs/dbraw/zinc/58/31/29/428583129.db2.gz IOMKIECQUSUQSY-SJLPKXTDSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609175 428583132 /nfs/dbraw/zinc/58/31/32/428583132.db2.gz IOMKIECQUSUQSY-SJLPKXTDSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609175 428583139 /nfs/dbraw/zinc/58/31/39/428583139.db2.gz IOMKIECQUSUQSY-SJLPKXTDSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609175 428583146 /nfs/dbraw/zinc/58/31/46/428583146.db2.gz IOMKIECQUSUQSY-SJLPKXTDSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC(C)(C)O[C@]2(CCCOC2)C1 ZINC000361609175 428583149 /nfs/dbraw/zinc/58/31/49/428583149.db2.gz IOMKIECQUSUQSY-SJLPKXTDSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000353431157 428534373 /nfs/dbraw/zinc/53/43/73/428534373.db2.gz LAFIGWROIASYMK-ROUUACIJSA-N 2 1 321.509 2.728 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415134683 428534688 /nfs/dbraw/zinc/53/46/88/428534688.db2.gz PERURDXQRZYWIP-MSOLQXFVSA-N 2 1 300.446 2.504 20 0 DFADMP Cc1cc(Cl)ccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415135559 428534984 /nfs/dbraw/zinc/53/49/84/428534984.db2.gz GFBKISVHUCQQNQ-SJORKVTESA-N 2 1 320.864 2.849 20 0 DFADMP Fc1cc(Cl)ccc1C[N@@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415146579 428537166 /nfs/dbraw/zinc/53/71/66/428537166.db2.gz ZBNOZPHPEDHCRG-ZBFHGGJFSA-N 2 1 324.827 2.680 20 0 DFADMP Fc1cc(Cl)ccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415146579 428537170 /nfs/dbraw/zinc/53/71/70/428537170.db2.gz ZBNOZPHPEDHCRG-ZBFHGGJFSA-N 2 1 324.827 2.680 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000399492406 428539717 /nfs/dbraw/zinc/53/97/17/428539717.db2.gz AXJDBYNNBMUAEM-WBVHZDCISA-N 2 1 311.514 2.576 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353451521 428541472 /nfs/dbraw/zinc/54/14/72/428541472.db2.gz AEHZIOKUICFJSP-IPMKNSEASA-N 2 1 318.461 2.674 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@@H]21 ZINC000353451488 428542060 /nfs/dbraw/zinc/54/20/60/428542060.db2.gz ABCJDMAOUYANOF-UFYCRDLUSA-N 2 1 324.472 2.877 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@H]3CCSC3)CC2)oc1C ZINC000373303962 428542753 /nfs/dbraw/zinc/54/27/53/428542753.db2.gz LCVILLQZPYJAKI-MRXNPFEDSA-N 2 1 323.506 2.846 20 0 DFADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000400169987 428544118 /nfs/dbraw/zinc/54/41/18/428544118.db2.gz KDHZROAOKIKLHH-HKUYNNGSSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400337552 428544270 /nfs/dbraw/zinc/54/42/70/428544270.db2.gz DRTCNDVXWIBTMX-WDSOQIARSA-N 2 1 303.494 2.731 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CC[NH2+]C1 ZINC000400337552 428544274 /nfs/dbraw/zinc/54/42/74/428544274.db2.gz DRTCNDVXWIBTMX-WDSOQIARSA-N 2 1 303.494 2.731 20 0 DFADMP C[C@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400365878 428544634 /nfs/dbraw/zinc/54/46/34/428544634.db2.gz DZQUPNTVGNDDDB-FUHWJXTLSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)Cc2ccccc2)CCC1)[C@@H]1CC[NH2+]C1 ZINC000400365878 428544639 /nfs/dbraw/zinc/54/46/39/428544639.db2.gz DZQUPNTVGNDDDB-FUHWJXTLSA-N 2 1 301.478 2.629 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000353482008 428555805 /nfs/dbraw/zinc/55/58/05/428555805.db2.gz DYEHHEWYNNWLEL-INIZCTEOSA-N 3 1 304.482 2.760 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000353482008 428555807 /nfs/dbraw/zinc/55/58/07/428555807.db2.gz DYEHHEWYNNWLEL-INIZCTEOSA-N 3 1 304.482 2.760 20 0 DFADMP CC(C)[N@@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361365037 428560796 /nfs/dbraw/zinc/56/07/96/428560796.db2.gz HPRHTTYTNSWNDR-HIFRSBDPSA-N 2 1 321.431 2.722 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361365037 428560802 /nfs/dbraw/zinc/56/08/02/428560802.db2.gz HPRHTTYTNSWNDR-HIFRSBDPSA-N 2 1 321.431 2.722 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)[C@@H]1CC[NH3+] ZINC000404379144 428567891 /nfs/dbraw/zinc/56/78/91/428567891.db2.gz TUYKCSHOIWKUQH-IUODEOHRSA-N 2 1 306.841 2.937 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)[C@@H]1CC[NH3+] ZINC000404379144 428567895 /nfs/dbraw/zinc/56/78/95/428567895.db2.gz TUYKCSHOIWKUQH-IUODEOHRSA-N 2 1 306.841 2.937 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1OC ZINC000404365829 428569051 /nfs/dbraw/zinc/56/90/51/428569051.db2.gz HFSYXSWCEBVHKL-CJNGLKHVSA-N 2 1 306.450 2.962 20 0 DFADMP CCO[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)C[C@H]1C[NH3+] ZINC000405345161 428577050 /nfs/dbraw/zinc/57/70/50/428577050.db2.gz PRWCBSDYDPDESU-BDJLRTHQSA-N 2 1 305.809 2.688 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc3cc(OC)ccc3c2)C[C@H]1C[NH3+] ZINC000405360917 428577778 /nfs/dbraw/zinc/57/77/78/428577778.db2.gz CEQAJBZONIFIFQ-IEBWSBKVSA-N 2 1 314.429 2.644 20 0 DFADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353526550 428579303 /nfs/dbraw/zinc/57/93/03/428579303.db2.gz AZWQFNHLSJDISW-DISONHOPSA-N 2 1 321.509 2.532 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000353571918 428600173 /nfs/dbraw/zinc/60/01/73/428600173.db2.gz QMKRZHDOLVCEEM-KRWDZBQOSA-N 2 1 318.509 2.756 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000353571918 428600176 /nfs/dbraw/zinc/60/01/76/428600176.db2.gz QMKRZHDOLVCEEM-KRWDZBQOSA-N 2 1 318.509 2.756 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000353568725 428600925 /nfs/dbraw/zinc/60/09/25/428600925.db2.gz BJGFUZSIXBIKMA-LMMKCTJWSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000353568725 428600933 /nfs/dbraw/zinc/60/09/33/428600933.db2.gz BJGFUZSIXBIKMA-LMMKCTJWSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000353568725 428600940 /nfs/dbraw/zinc/60/09/40/428600940.db2.gz BJGFUZSIXBIKMA-LMMKCTJWSA-N 2 1 303.494 2.825 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347552072 428602396 /nfs/dbraw/zinc/60/23/96/428602396.db2.gz KWITYUVTGUVFTP-QGZVFWFLSA-N 2 1 324.428 2.526 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347552069 428603564 /nfs/dbraw/zinc/60/35/64/428603564.db2.gz KWITYUVTGUVFTP-KRWDZBQOSA-N 2 1 324.428 2.526 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000415896627 428620200 /nfs/dbraw/zinc/62/02/00/428620200.db2.gz DRGFRAFZMOYBOV-CABCVRRESA-N 2 1 318.465 2.790 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H]2CCC[C@H]21 ZINC000353611814 428620826 /nfs/dbraw/zinc/62/08/26/428620826.db2.gz FRLWAEZYGCOJMD-OKZBNKHCSA-N 2 1 315.461 2.975 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H](C[N@@H+](C)CC)C2)c1 ZINC000415909044 428621638 /nfs/dbraw/zinc/62/16/38/428621638.db2.gz RLBZMGHZMKHJII-MRXNPFEDSA-N 2 1 318.465 2.602 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000415961645 428634586 /nfs/dbraw/zinc/63/45/86/428634586.db2.gz VYAIYYJXGRJSFK-UHFFFAOYSA-N 2 1 318.465 2.744 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000415957926 428634639 /nfs/dbraw/zinc/63/46/39/428634639.db2.gz QMIMLOMEWGZBOI-OAHLLOKOSA-N 2 1 318.465 2.602 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415912463 428624525 /nfs/dbraw/zinc/62/45/25/428624525.db2.gz LITAQHJJXJLUJN-WMLDXEAASA-N 2 1 318.465 2.600 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705416 428634708 /nfs/dbraw/zinc/63/47/08/428634708.db2.gz MFZJSFBRVPMQGE-IAGOWNOFSA-N 2 1 323.525 2.735 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000415930733 428630410 /nfs/dbraw/zinc/63/04/10/428630410.db2.gz KSVLZLUWJLLPDF-CQSZACIVSA-N 2 1 306.454 2.646 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415937409 428630713 /nfs/dbraw/zinc/63/07/13/428630713.db2.gz XEPIWOOVZOLCKO-AWEZNQCLSA-N 2 1 306.454 2.648 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)Nc1ccccc1C[NH2+]CC ZINC000415940001 428633075 /nfs/dbraw/zinc/63/30/75/428633075.db2.gz CPOYQOPFLXNJMN-UHFFFAOYSA-N 2 1 306.454 2.650 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC000415941107 428633668 /nfs/dbraw/zinc/63/36/68/428633668.db2.gz GJDTUMBDMIAICL-QGZVFWFLSA-N 2 1 318.465 2.648 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000353642003 428636525 /nfs/dbraw/zinc/63/65/25/428636525.db2.gz KINVGCNJVKQCJI-PVAVHDDUSA-N 2 1 316.493 2.900 20 0 DFADMP CCCC[N@H+](C)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000358711718 428636988 /nfs/dbraw/zinc/63/69/88/428636988.db2.gz IAGIQVXCBHLVKQ-UHFFFAOYSA-N 2 1 309.420 2.725 20 0 DFADMP CCCC[N@@H+](C)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000358711718 428636991 /nfs/dbraw/zinc/63/69/91/428636991.db2.gz IAGIQVXCBHLVKQ-UHFFFAOYSA-N 2 1 309.420 2.725 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@H](C)C1 ZINC000415980128 428639315 /nfs/dbraw/zinc/63/93/15/428639315.db2.gz FWJJWEQBCMMOAS-PBHICJAKSA-N 2 1 318.465 2.600 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415980130 428639987 /nfs/dbraw/zinc/63/99/87/428639987.db2.gz FWJJWEQBCMMOAS-WMLDXEAASA-N 2 1 318.465 2.600 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358722945 428642627 /nfs/dbraw/zinc/64/26/27/428642627.db2.gz LKWZEJBIGSLATK-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP COCC[C@@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000353654005 428642640 /nfs/dbraw/zinc/64/26/40/428642640.db2.gz ZGBBHWCFKNMIQZ-YOEHRIQHSA-N 2 1 317.433 2.883 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358722945 428642632 /nfs/dbraw/zinc/64/26/32/428642632.db2.gz LKWZEJBIGSLATK-LFGUQSLTSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358722945 428642635 /nfs/dbraw/zinc/64/26/35/428642635.db2.gz LKWZEJBIGSLATK-LFGUQSLTSA-N 3 1 315.505 2.969 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415956919 428635958 /nfs/dbraw/zinc/63/59/58/428635958.db2.gz LKSPDTHGWFBIAM-KRWDZBQOSA-N 2 1 318.465 2.777 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CCO2 ZINC000353680450 274137848 /nfs/dbraw/zinc/13/78/48/274137848.db2.gz JTEUCXXDNVCZRE-DZOHQFGASA-N 2 1 316.445 2.981 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N2CCCC2)CC1)CC(C)C ZINC000358734478 428649366 /nfs/dbraw/zinc/64/93/66/428649366.db2.gz DUIJXWVMIDNFLO-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000355814214 274296024 /nfs/dbraw/zinc/29/60/24/274296024.db2.gz SUMQGQWAWWTVFT-IYBDPMFKSA-N 2 1 317.477 2.741 20 0 DFADMP CC[C@@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000344540916 428675574 /nfs/dbraw/zinc/67/55/74/428675574.db2.gz KQVCYRNFSMUCAH-SJORKVTESA-N 2 1 311.514 2.878 20 0 DFADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262009296 274365799 /nfs/dbraw/zinc/36/57/99/274365799.db2.gz UWGFPNWQLXEDQT-SJORKVTESA-N 2 1 324.472 2.745 20 0 DFADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000262009296 274365804 /nfs/dbraw/zinc/36/58/04/274365804.db2.gz UWGFPNWQLXEDQT-SJORKVTESA-N 2 1 324.472 2.745 20 0 DFADMP OC[C@]1(c2ccccc2)CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000374555980 428696398 /nfs/dbraw/zinc/69/63/98/428696398.db2.gz ICMPBEDWWNBTQV-FQEVSTJZSA-N 2 1 316.489 2.889 20 0 DFADMP OC[C@]1(c2ccccc2)CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000374555980 428696402 /nfs/dbraw/zinc/69/64/02/428696402.db2.gz ICMPBEDWWNBTQV-FQEVSTJZSA-N 2 1 316.489 2.889 20 0 DFADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362364791 428718531 /nfs/dbraw/zinc/71/85/31/428718531.db2.gz VHFYZVINPFZOCP-YJBOKZPZSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362364789 428719899 /nfs/dbraw/zinc/71/98/99/428719899.db2.gz VHFYZVINPFZOCP-MAUKXSAKSA-N 2 1 321.509 2.630 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)C[C@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416184249 428686309 /nfs/dbraw/zinc/68/63/09/428686309.db2.gz NIJBSGRSWZGRRI-SOLBZPMBSA-N 2 1 317.477 2.621 20 0 DFADMP C[C@H]1C[N@@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267673 428768080 /nfs/dbraw/zinc/76/80/80/428768080.db2.gz ZFJSXRQLWPPOFC-KRWDZBQOSA-N 2 1 301.478 2.808 20 0 DFADMP C[C@H]1CN(C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267673 428768083 /nfs/dbraw/zinc/76/80/83/428768083.db2.gz ZFJSXRQLWPPOFC-KRWDZBQOSA-N 2 1 301.478 2.808 20 0 DFADMP C[C@H]1CN(C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267673 428768088 /nfs/dbraw/zinc/76/80/88/428768088.db2.gz ZFJSXRQLWPPOFC-KRWDZBQOSA-N 2 1 301.478 2.808 20 0 DFADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000374906861 428779178 /nfs/dbraw/zinc/77/91/78/428779178.db2.gz CODANBJQBMIZQB-OWCLPIDISA-N 2 1 300.512 2.607 20 0 DFADMP C[C@H](CC[NH+]1CCO[C@@H](C)[C@@H]1C)CC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322421 428780155 /nfs/dbraw/zinc/78/01/55/428780155.db2.gz INSWEJFGVGYVOK-TXTZMMAHSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1CCO[C@H](C)[C@@H]1C)CC[N@@H+]1CCO[C@@H](C)[C@@H]1C ZINC000411322421 428780164 /nfs/dbraw/zinc/78/01/64/428780164.db2.gz INSWEJFGVGYVOK-TXTZMMAHSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1CCO[C@H](C)[C@@H]1C)CC[N@H+]1CCO[C@@H](C)[C@@H]1C ZINC000411322421 428780172 /nfs/dbraw/zinc/78/01/72/428780172.db2.gz INSWEJFGVGYVOK-TXTZMMAHSA-N 2 1 312.498 2.621 20 0 DFADMP C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CCC[C@@H]1O ZINC000348542885 428781029 /nfs/dbraw/zinc/78/10/29/428781029.db2.gz DZJCXBTZJSUOTH-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)[C@H]1CCC[C@@H]1O ZINC000348542885 428781033 /nfs/dbraw/zinc/78/10/33/428781033.db2.gz DZJCXBTZJSUOTH-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000348542885 428781035 /nfs/dbraw/zinc/78/10/35/428781035.db2.gz DZJCXBTZJSUOTH-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000348542885 428781040 /nfs/dbraw/zinc/78/10/40/428781040.db2.gz DZJCXBTZJSUOTH-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C1(C(=O)OC)CCC1 ZINC000353837685 428742750 /nfs/dbraw/zinc/74/27/50/428742750.db2.gz CUOJEDLXDITLDU-HIFRSBDPSA-N 2 1 307.438 2.539 20 0 DFADMP NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411161863 428750740 /nfs/dbraw/zinc/75/07/40/428750740.db2.gz ZGDIYTHJOONFIU-SFHVURJKSA-N 2 1 315.461 2.512 20 0 DFADMP c1cc(N2CCC([NH+]3CCCC3)CC2)nc(N2CCCCC2)[nH+]1 ZINC000354079892 428852220 /nfs/dbraw/zinc/85/22/20/428852220.db2.gz MPUWLZJLLRIVGE-UHFFFAOYSA-N 2 1 315.465 2.532 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1(C)CCCC1 ZINC000345196143 428795484 /nfs/dbraw/zinc/79/54/84/428795484.db2.gz JFQFLSVFEUJITE-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000345198834 428796888 /nfs/dbraw/zinc/79/68/88/428796888.db2.gz BGEHPKYAUZARKO-IAGOWNOFSA-N 2 1 311.514 2.878 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632263 428799447 /nfs/dbraw/zinc/79/94/47/428799447.db2.gz DFJGFABXWKSDRY-MJGOQNOKSA-N 2 1 320.477 2.744 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632263 428799450 /nfs/dbraw/zinc/79/94/50/428799450.db2.gz DFJGFABXWKSDRY-MJGOQNOKSA-N 2 1 320.477 2.744 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCOc2ccccc2)[C@H](C)C1 ZINC000348632263 428799457 /nfs/dbraw/zinc/79/94/57/428799457.db2.gz DFJGFABXWKSDRY-MJGOQNOKSA-N 2 1 320.477 2.744 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC000362669181 428800087 /nfs/dbraw/zinc/80/00/87/428800087.db2.gz UHTKWDQGAIPKMM-JZXOWHBKSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411500031 428805248 /nfs/dbraw/zinc/80/52/48/428805248.db2.gz SAWHBKUKCGMVGV-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccccc1 ZINC000354010707 428820505 /nfs/dbraw/zinc/82/05/05/428820505.db2.gz YAPLNFIWGBTRAU-AEFFLSMTSA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599728 428822365 /nfs/dbraw/zinc/82/23/65/428822365.db2.gz COJQVPOITCRGDG-AEFFLSMTSA-N 2 1 323.525 2.876 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000359116745 428824484 /nfs/dbraw/zinc/82/44/84/428824484.db2.gz QUWUUNZJOWZZEN-HZPDHXFCSA-N 2 1 320.506 2.637 20 0 DFADMP COCCSCCC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000362963099 428826709 /nfs/dbraw/zinc/82/67/09/428826709.db2.gz IEFSDUWVMBBQOG-UHFFFAOYSA-N 2 1 300.512 2.706 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000345283328 428829579 /nfs/dbraw/zinc/82/95/79/428829579.db2.gz OWHKTZLAGRSACO-DLBZAZTESA-N 2 1 308.853 2.837 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000345283328 428829583 /nfs/dbraw/zinc/82/95/83/428829583.db2.gz OWHKTZLAGRSACO-DLBZAZTESA-N 2 1 308.853 2.837 20 0 DFADMP C[N@@H+](Cc1cnc(C(C)(C)C)nc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375270093 428837908 /nfs/dbraw/zinc/83/79/08/428837908.db2.gz SWVYLXJGLVWIAQ-AWEZNQCLSA-N 2 1 313.449 2.665 20 0 DFADMP C[N@H+](Cc1cnc(C(C)(C)C)nc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375270093 428837909 /nfs/dbraw/zinc/83/79/09/428837909.db2.gz SWVYLXJGLVWIAQ-AWEZNQCLSA-N 2 1 313.449 2.665 20 0 DFADMP CC[NH+](CCC(C)CC[N@H+](CC)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000411750816 428853452 /nfs/dbraw/zinc/85/34/52/428853452.db2.gz ZTSXTMYLMLGWOB-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000354062336 428842986 /nfs/dbraw/zinc/84/29/86/428842986.db2.gz YSDGREUKEVKVLT-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417047396 428844960 /nfs/dbraw/zinc/84/49/60/428844960.db2.gz QKIWQBCAOPDKAY-ULQDDVLXSA-N 2 1 324.513 2.552 20 0 DFADMP OC[C@]1(F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411704302 428845201 /nfs/dbraw/zinc/84/52/01/428845201.db2.gz TWVUILDUSUDXLX-SFHVURJKSA-N 2 1 306.425 2.579 20 0 DFADMP OC[C@]1(F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411704302 428845208 /nfs/dbraw/zinc/84/52/08/428845208.db2.gz TWVUILDUSUDXLX-SFHVURJKSA-N 2 1 306.425 2.579 20 0 DFADMP c1c[nH]c(CN2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)n1 ZINC000363323864 428906968 /nfs/dbraw/zinc/90/69/68/428906968.db2.gz FOTMUKRJMBPFJU-LJQANCHMSA-N 2 1 310.445 2.898 20 0 DFADMP CC[N@H+](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C1CC1 ZINC000348834126 428854630 /nfs/dbraw/zinc/85/46/30/428854630.db2.gz RXFHOJGMEDTYJQ-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP CC[N@@H+](CCNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)C1CC1 ZINC000348834126 428854634 /nfs/dbraw/zinc/85/46/34/428854634.db2.gz RXFHOJGMEDTYJQ-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP O[C@]1(C(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411786644 428859200 /nfs/dbraw/zinc/85/92/00/428859200.db2.gz DBWRRORHENQWQX-GOSISDBHSA-N 2 1 324.415 2.874 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CCC1CC[NH2+]CC1 ZINC000359200530 428862108 /nfs/dbraw/zinc/86/21/08/428862108.db2.gz YWZSZRNCVUOQKN-QGZVFWFLSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)cc2F)C1 ZINC000354106029 428865243 /nfs/dbraw/zinc/86/52/43/428865243.db2.gz GRYDLYCXPQPJOQ-MRXNPFEDSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)cc2F)C1 ZINC000354106029 428865248 /nfs/dbraw/zinc/86/52/48/428865248.db2.gz GRYDLYCXPQPJOQ-MRXNPFEDSA-N 2 1 312.404 2.898 20 0 DFADMP CCCc1csc(CN(C)CCN(C)C2CC[NH+](C)CC2)n1 ZINC000349070070 428911772 /nfs/dbraw/zinc/91/17/72/428911772.db2.gz AUUSCLHEEJXWHT-UHFFFAOYSA-N 2 1 324.538 2.553 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1 ZINC000375508998 428901911 /nfs/dbraw/zinc/90/19/11/428901911.db2.gz VDNGEGBQKCXKGG-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CCC ZINC000349040482 428905790 /nfs/dbraw/zinc/90/57/90/428905790.db2.gz ASCNIEVQWVRNLQ-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1CCC ZINC000349040482 428905796 /nfs/dbraw/zinc/90/57/96/428905796.db2.gz ASCNIEVQWVRNLQ-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000349040482 428905800 /nfs/dbraw/zinc/90/58/00/428905800.db2.gz ASCNIEVQWVRNLQ-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1C ZINC000418287860 428912391 /nfs/dbraw/zinc/91/23/91/428912391.db2.gz VFXDZHVTSPRXNZ-CVEARBPZSA-N 2 1 324.513 2.552 20 0 DFADMP O=C(Nc1ccccc1)c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359315144 428916551 /nfs/dbraw/zinc/91/65/51/428916551.db2.gz VRQBAEDHVOOKLW-ROUUACIJSA-N 2 1 321.424 2.590 20 0 DFADMP C[N@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453607 428920264 /nfs/dbraw/zinc/92/02/64/428920264.db2.gz ZVVGSUANDIQEHE-UHFFFAOYSA-N 2 1 306.425 2.901 20 0 DFADMP C[N@@H+](Cc1cccc(F)c1)C1CC[NH+](C2CCOCC2)CC1 ZINC000363453607 428920270 /nfs/dbraw/zinc/92/02/70/428920270.db2.gz ZVVGSUANDIQEHE-UHFFFAOYSA-N 2 1 306.425 2.901 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349126585 428923164 /nfs/dbraw/zinc/92/31/64/428923164.db2.gz GUQOTGJTJBIKNV-LJQANCHMSA-N 2 1 301.478 2.986 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C)C[C@@H]1C ZINC000354220897 428924088 /nfs/dbraw/zinc/92/40/88/428924088.db2.gz FWFYQRJWEAWGBF-OKZBNKHCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C)C[C@@H]1C ZINC000354220897 428924092 /nfs/dbraw/zinc/92/40/92/428924092.db2.gz FWFYQRJWEAWGBF-OKZBNKHCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C)C[C@@H]1C ZINC000354220897 428924097 /nfs/dbraw/zinc/92/40/97/428924097.db2.gz FWFYQRJWEAWGBF-OKZBNKHCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354225371 428927377 /nfs/dbraw/zinc/92/73/77/428927377.db2.gz RLIRFJGQLHTZFO-BBWFWOEESA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226434 428927704 /nfs/dbraw/zinc/92/77/04/428927704.db2.gz WDCNXBVJWAEHNP-YOEHRIQHSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226434 428927710 /nfs/dbraw/zinc/92/77/10/428927710.db2.gz WDCNXBVJWAEHNP-YOEHRIQHSA-N 2 1 321.440 2.959 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000354226513 428930487 /nfs/dbraw/zinc/93/04/87/428930487.db2.gz WMRKMAUXOMWADO-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000354226513 428930494 /nfs/dbraw/zinc/93/04/94/428930494.db2.gz WMRKMAUXOMWADO-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccc(OC)cc2)C[C@@H]1C ZINC000354226513 428930502 /nfs/dbraw/zinc/93/05/02/428930502.db2.gz WMRKMAUXOMWADO-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP Cc1ccc(C)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000363539518 428937140 /nfs/dbraw/zinc/93/71/40/428937140.db2.gz LPANUFFIDMAGMV-LJQANCHMSA-N 2 1 301.478 2.515 20 0 DFADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC000345586287 428946455 /nfs/dbraw/zinc/94/64/55/428946455.db2.gz NZQJRLXMPKFLLC-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@@H+](CCC(=O)NCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375753939 428962357 /nfs/dbraw/zinc/96/23/57/428962357.db2.gz BCQJUSDPDJNSPB-JWTNVVGKSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH+](CCC(=O)NCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375753939 428962361 /nfs/dbraw/zinc/96/23/61/428962361.db2.gz BCQJUSDPDJNSPB-JWTNVVGKSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH+](CCC(=O)NCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375753939 428962367 /nfs/dbraw/zinc/96/23/67/428962367.db2.gz BCQJUSDPDJNSPB-JWTNVVGKSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)CCn1cccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349334663 428964367 /nfs/dbraw/zinc/96/43/67/428964367.db2.gz SVNPWOZUPPARLY-UHFFFAOYSA-N 2 1 320.525 2.604 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000349346686 428966617 /nfs/dbraw/zinc/96/66/17/428966617.db2.gz YKPORBWMBCVVTD-KKSNRDQTSA-N 2 1 314.473 2.814 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433321789 429026898 /nfs/dbraw/zinc/02/68/98/429026898.db2.gz WEZVHTXKXONVOP-AWEZNQCLSA-N 2 1 302.422 2.880 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433321789 429026901 /nfs/dbraw/zinc/02/69/01/429026901.db2.gz WEZVHTXKXONVOP-AWEZNQCLSA-N 2 1 302.422 2.880 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000423817263 429028570 /nfs/dbraw/zinc/02/85/70/429028570.db2.gz BJFSIZQIUKFOOF-MJGOQNOKSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@H](CC)C1 ZINC000423817263 429028572 /nfs/dbraw/zinc/02/85/72/429028572.db2.gz BJFSIZQIUKFOOF-MJGOQNOKSA-N 2 1 317.477 2.627 20 0 DFADMP Clc1ccc2ncc(C[N@H+]3CCS[C@@H]4COCC[C@H]43)n2c1 ZINC000355111152 429030586 /nfs/dbraw/zinc/03/05/86/429030586.db2.gz NERRAPXAJNILIY-ZIAGYGMSSA-N 2 1 323.849 2.694 20 0 DFADMP C[N@@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000423822872 429030729 /nfs/dbraw/zinc/03/07/29/429030729.db2.gz JBRXQAQWYHBMDH-RBSFLKMASA-N 2 1 323.868 2.575 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000423822872 429030735 /nfs/dbraw/zinc/03/07/35/429030735.db2.gz JBRXQAQWYHBMDH-RBSFLKMASA-N 2 1 323.868 2.575 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1CCO[C@@H]1c1ccnn1C ZINC000349386332 428978772 /nfs/dbraw/zinc/97/87/72/428978772.db2.gz RSQOVUSATLVZND-AEFFLSMTSA-N 2 1 322.497 2.552 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000369446578 274808004 /nfs/dbraw/zinc/80/80/04/274808004.db2.gz YYYQYHHCPJKGLY-CABCVRRESA-N 2 1 312.417 2.513 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccc(O)c1 ZINC000363781137 428991420 /nfs/dbraw/zinc/99/14/20/428991420.db2.gz HZTDZANCPLEEHH-LVFSCSRESA-N 2 1 318.461 2.932 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1cccc(O)c1 ZINC000363781137 428991426 /nfs/dbraw/zinc/99/14/26/428991426.db2.gz HZTDZANCPLEEHH-LVFSCSRESA-N 2 1 318.461 2.932 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000375845509 428992264 /nfs/dbraw/zinc/99/22/64/428992264.db2.gz YLPZWOCORPHCBO-STQMWFEESA-N 2 1 301.390 2.566 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433093607 428992926 /nfs/dbraw/zinc/99/29/26/428992926.db2.gz VALZSWNUOWAJIH-AOIWGVFYSA-N 2 1 301.478 2.833 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@H]2CCC[C@@H]21 ZINC000375850736 428997162 /nfs/dbraw/zinc/99/71/62/428997162.db2.gz JZKOYTKTUVTRGH-AABGKKOBSA-N 2 1 324.472 2.894 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000423726227 429004876 /nfs/dbraw/zinc/00/48/76/429004876.db2.gz JGXZJAPGRXDTOA-CIRFHOKZSA-N 2 1 315.461 2.550 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000423726227 429004881 /nfs/dbraw/zinc/00/48/81/429004881.db2.gz JGXZJAPGRXDTOA-CIRFHOKZSA-N 2 1 315.461 2.550 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCc2[nH+]ccn21)CC(C)C ZINC000354821700 429011137 /nfs/dbraw/zinc/01/11/37/429011137.db2.gz OBPNSZKUQBQURG-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP C[C@H](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000423766962 429011194 /nfs/dbraw/zinc/01/11/94/429011194.db2.gz VVDJYUDUGOXTRM-IAGOWNOFSA-N 2 1 323.525 2.735 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000423767721 429013625 /nfs/dbraw/zinc/01/36/25/429013625.db2.gz WQEAFKJMISSPMG-SFHVURJKSA-N 2 1 317.477 2.799 20 0 DFADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000412312760 429014255 /nfs/dbraw/zinc/01/42/55/429014255.db2.gz ICFAVHCYZFYTDC-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423441415 429089685 /nfs/dbraw/zinc/08/96/85/429089685.db2.gz UKMLXUGVKQACAV-LJISPDSOSA-N 2 1 307.235 2.634 20 0 DFADMP C[C@@H]1[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000423470437 429091636 /nfs/dbraw/zinc/09/16/36/429091636.db2.gz DKDUCCJGWJLQBW-HYVNUMGLSA-N 2 1 323.431 2.626 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccnn1-c1ccccc1 ZINC000423473398 429094544 /nfs/dbraw/zinc/09/45/44/429094544.db2.gz ISAXBEXRXBMBGL-UONOGXRCSA-N 2 1 320.387 2.768 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423477359 429094990 /nfs/dbraw/zinc/09/49/90/429094990.db2.gz TVDCUVVKGLKICV-RNCFNFMXSA-N 2 1 301.203 2.902 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccnn1-c1ccccc1 ZINC000423473394 429095051 /nfs/dbraw/zinc/09/50/51/429095051.db2.gz ISAXBEXRXBMBGL-KBPBESRZSA-N 2 1 320.387 2.768 20 0 DFADMP C[C@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000452005809 429037747 /nfs/dbraw/zinc/03/77/47/429037747.db2.gz KMCCIQXJGXYZOH-RDJZCZTQSA-N 2 1 317.477 2.668 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000424138169 429096564 /nfs/dbraw/zinc/09/65/64/429096564.db2.gz TXNONZIEKUGGIH-KZNAEPCWSA-N 2 1 321.509 2.807 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cnn1C(C)(C)C ZINC000423481211 429096806 /nfs/dbraw/zinc/09/68/06/429096806.db2.gz QBYKMTJRSMBJIL-DGCLKSJQSA-N 2 1 314.424 2.842 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(Br)c(F)c1 ZINC000423278736 429055867 /nfs/dbraw/zinc/05/58/67/429055867.db2.gz QMTKXTICWNYETF-AMIZOPFISA-N 2 1 301.203 2.976 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000423276500 429056317 /nfs/dbraw/zinc/05/63/17/429056317.db2.gz MYHLKMGLUXSIOX-KGLIPLIRSA-N 2 1 313.214 2.902 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423276841 429056417 /nfs/dbraw/zinc/05/64/17/429056417.db2.gz NKAKYCXZVMLDLW-HCXYKTFWSA-N 2 1 301.478 2.929 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423276841 429056421 /nfs/dbraw/zinc/05/64/21/429056421.db2.gz NKAKYCXZVMLDLW-HCXYKTFWSA-N 2 1 301.478 2.929 20 0 DFADMP CC(C)([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423287396 429057542 /nfs/dbraw/zinc/05/75/42/429057542.db2.gz MAJPPCWJQPCARF-KURKYZTESA-N 2 1 301.478 2.757 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423297409 429060477 /nfs/dbraw/zinc/06/04/77/429060477.db2.gz KFJKJQLCUVCHQQ-WBVHZDCISA-N 2 1 305.466 2.691 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423306561 429061185 /nfs/dbraw/zinc/06/11/85/429061185.db2.gz LTZBMNTYPXBVMT-VBSBHUPXSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423306561 429061188 /nfs/dbraw/zinc/06/11/88/429061188.db2.gz LTZBMNTYPXBVMT-VBSBHUPXSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423306561 429061194 /nfs/dbraw/zinc/06/11/94/429061194.db2.gz LTZBMNTYPXBVMT-VBSBHUPXSA-N 2 1 315.505 2.862 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423312523 429062187 /nfs/dbraw/zinc/06/21/87/429062187.db2.gz DGXROVQCWLCLEM-MLGOLLRUSA-N 2 1 304.438 2.604 20 0 DFADMP Fc1cc(Br)ccc1[C@H]([NH2+]CC1C[NH2+]C1)C1CC1 ZINC000423319000 429062993 /nfs/dbraw/zinc/06/29/93/429062993.db2.gz LINRBISVJNMCLR-CQSZACIVSA-N 2 1 313.214 2.848 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423325108 429065136 /nfs/dbraw/zinc/06/51/36/429065136.db2.gz QBZAGFLEDZEICC-DYVFJYSZSA-N 2 1 318.465 2.948 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423323520 429065783 /nfs/dbraw/zinc/06/57/83/429065783.db2.gz HZMRQHGFJTWWEU-WMZOPIPTSA-N 2 1 323.525 2.912 20 0 DFADMP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[C@H](C)[NH3+] ZINC000423337673 429067877 /nfs/dbraw/zinc/06/78/77/429067877.db2.gz RGUAQQZCGIKAMO-MAUKXSAKSA-N 2 1 319.493 2.762 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423335331 429068629 /nfs/dbraw/zinc/06/86/29/429068629.db2.gz RQPHWFOSTOSWHQ-MSOLQXFVSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423335331 429068630 /nfs/dbraw/zinc/06/86/30/429068630.db2.gz RQPHWFOSTOSWHQ-MSOLQXFVSA-N 3 1 301.478 2.801 20 0 DFADMP C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423345615 429069984 /nfs/dbraw/zinc/06/99/84/429069984.db2.gz PGPGUZCNRPCAFH-DFQSSKMNSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423345615 429069985 /nfs/dbraw/zinc/06/99/85/429069985.db2.gz PGPGUZCNRPCAFH-DFQSSKMNSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423345615 429069989 /nfs/dbraw/zinc/06/99/89/429069989.db2.gz PGPGUZCNRPCAFH-DFQSSKMNSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000423343322 429070491 /nfs/dbraw/zinc/07/04/91/429070491.db2.gz VUAQRKRPMSBLMB-AWEZNQCLSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](Nc2ncnc(N)c2Cl)C1 ZINC000434098989 429071447 /nfs/dbraw/zinc/07/14/47/429071447.db2.gz GLAOQYTXTISOGZ-DGCLKSJQSA-N 2 1 317.824 2.960 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H](Nc2ncnc(N)c2Cl)C1 ZINC000434098989 429071449 /nfs/dbraw/zinc/07/14/49/429071449.db2.gz GLAOQYTXTISOGZ-DGCLKSJQSA-N 2 1 317.824 2.960 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423363731 429072456 /nfs/dbraw/zinc/07/24/56/429072456.db2.gz VCWHTZHGGVUARV-DLBZAZTESA-N 2 1 309.498 2.521 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000423371737 429073996 /nfs/dbraw/zinc/07/39/96/429073996.db2.gz HVVLOYXJJABCSJ-OFQRWUPVSA-N 2 1 306.450 2.673 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423364238 429074092 /nfs/dbraw/zinc/07/40/92/429074092.db2.gz AXLNUHTWPPSQEM-IRXDYDNUSA-N 2 1 317.477 2.703 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)CCC2 ZINC000423380483 429077207 /nfs/dbraw/zinc/07/72/07/429077207.db2.gz MSOBDGYTCJTCAJ-MRVWCRGKSA-N 2 1 320.433 2.872 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423395697 429079607 /nfs/dbraw/zinc/07/96/07/429079607.db2.gz NLMNQKOFERUJJX-FHLIZLRMSA-N 2 1 310.445 2.837 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000423406859 429081686 /nfs/dbraw/zinc/08/16/86/429081686.db2.gz VEHFAOSPPYEJIH-LXIYXOSZSA-N 2 1 316.424 2.968 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(Oc2ccccc2)cc1 ZINC000423408236 429082193 /nfs/dbraw/zinc/08/21/93/429082193.db2.gz OKACSEBRZAITEK-ZSZQSSIHSA-N 2 1 312.413 2.710 20 0 DFADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423419292 429085551 /nfs/dbraw/zinc/08/55/51/429085551.db2.gz VOYQBPHXOFKBOD-MSOLQXFVSA-N 2 1 321.509 2.665 20 0 DFADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423433446 429087020 /nfs/dbraw/zinc/08/70/20/429087020.db2.gz CJRIWNDCFOBOFA-WAARBJQMSA-N 2 1 301.478 2.612 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C/c2ccncc2)[C@H](C)C1 ZINC000487265819 429146100 /nfs/dbraw/zinc/14/61/00/429146100.db2.gz BLUHOANRXORCKW-LRSLKPCPSA-N 2 1 317.477 2.821 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CC1(C)C ZINC000487290646 429147965 /nfs/dbraw/zinc/14/79/65/429147965.db2.gz CPQYEBDYBYWJPS-JCHJZTRSSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CC1(C)C ZINC000487290646 429147972 /nfs/dbraw/zinc/14/79/72/429147972.db2.gz CPQYEBDYBYWJPS-JCHJZTRSSA-N 2 1 316.489 2.894 20 0 DFADMP COc1cc2[nH+]ccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1OC ZINC000413155892 429151351 /nfs/dbraw/zinc/15/13/51/429151351.db2.gz DEBISQVIXFQRIF-OLZOCXBDSA-N 2 1 315.417 2.569 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435623717 429151771 /nfs/dbraw/zinc/15/17/71/429151771.db2.gz VQTTYWHNPOQZGY-AWEZNQCLSA-N 2 1 321.490 2.811 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424139310 429099487 /nfs/dbraw/zinc/09/94/87/429099487.db2.gz VAIPXOIOTSYDFQ-UHFFFAOYSA-N 2 1 309.316 2.693 20 0 DFADMP C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423498005 429099785 /nfs/dbraw/zinc/09/97/85/429099785.db2.gz AVXBAGJOBPCBOA-BEFAXECRSA-N 2 1 319.493 2.795 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424147820 429100531 /nfs/dbraw/zinc/10/05/31/429100531.db2.gz SITLIJFUVJLROY-QZTJIDSGSA-N 2 1 323.525 2.865 20 0 DFADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000423502535 429101270 /nfs/dbraw/zinc/10/12/70/429101270.db2.gz FECGSIMNMVPARN-IUDNXUCKSA-N 2 1 323.431 2.832 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc(OC)c1OC ZINC000423500699 429101354 /nfs/dbraw/zinc/10/13/54/429101354.db2.gz DBKKSDPXJROVAK-WFASDCNBSA-N 2 1 322.449 2.881 20 0 DFADMP COc1cc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000423505340 429101898 /nfs/dbraw/zinc/10/18/98/429101898.db2.gz HCPCQRXVBQLSGX-FHSNZYRGSA-N 2 1 322.449 2.690 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2(C)CC[NH2+]CC2)cc1 ZINC000434686966 429104510 /nfs/dbraw/zinc/10/45/10/429104510.db2.gz YFMNKZKFLPZFKE-UHFFFAOYSA-N 2 1 317.477 2.790 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1 ZINC000434671487 429105224 /nfs/dbraw/zinc/10/52/24/429105224.db2.gz UWMMNSWYRRYAKT-HOTGVXAUSA-N 2 1 317.477 2.741 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)o1 ZINC000423519575 429106442 /nfs/dbraw/zinc/10/64/42/429106442.db2.gz QBIQCEAYWVQFOS-OOHWJJMZSA-N 2 1 305.466 2.763 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccccc1C(F)(F)F ZINC000423516168 429106449 /nfs/dbraw/zinc/10/64/49/429106449.db2.gz NNIQEXSNVPKTOQ-NWDGAFQWSA-N 2 1 302.340 2.735 20 0 DFADMP Cc1cccc2c1CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519348 429107061 /nfs/dbraw/zinc/10/70/61/429107061.db2.gz PQSGXMIRXGQTHL-UHYCVJNDSA-N 2 1 313.489 2.788 20 0 DFADMP C[C@@H]1CN([C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515335 429107220 /nfs/dbraw/zinc/10/72/20/429107220.db2.gz VEZRBWUDNWMPGL-QXCFHYIPSA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515335 429107224 /nfs/dbraw/zinc/10/72/24/429107224.db2.gz VEZRBWUDNWMPGL-QXCFHYIPSA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)[C@@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515335 429107228 /nfs/dbraw/zinc/10/72/28/429107228.db2.gz VEZRBWUDNWMPGL-QXCFHYIPSA-N 3 1 301.478 2.739 20 0 DFADMP COc1ccc(C[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1OC ZINC000423514937 429107301 /nfs/dbraw/zinc/10/73/01/429107301.db2.gz URXQJJRBRAOPMF-BIENJYKASA-N 2 1 320.477 2.860 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)o1 ZINC000423526921 429107964 /nfs/dbraw/zinc/10/79/64/429107964.db2.gz ZZMXDQQOKZZPGL-QQFBHYJXSA-N 2 1 305.466 2.709 20 0 DFADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)cc(F)c1 ZINC000423521127 429108534 /nfs/dbraw/zinc/10/85/34/429108534.db2.gz SFBJKEOIBZWKLP-TZYSRNFLSA-N 2 1 323.431 2.832 20 0 DFADMP Cc1ccccc1[C@@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423526644 429109300 /nfs/dbraw/zinc/10/93/00/429109300.db2.gz ZVOVEKBNQBUCPU-WWDZGPRUSA-N 2 1 301.478 2.862 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000424239142 429113290 /nfs/dbraw/zinc/11/32/90/429113290.db2.gz LSHGGFCXMSHIDV-HNNXBMFYSA-N 2 1 323.440 2.839 20 0 DFADMP CCN(C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccccc1 ZINC000424283799 429120000 /nfs/dbraw/zinc/12/00/00/429120000.db2.gz CEJCPYPZXXHIQC-MRXNPFEDSA-N 2 1 315.461 2.504 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1F ZINC000424286704 429120092 /nfs/dbraw/zinc/12/00/92/429120092.db2.gz HXUMTEPAGSHUHX-AWEZNQCLSA-N 2 1 319.424 2.537 20 0 DFADMP [NH3+]C[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000424301982 429122178 /nfs/dbraw/zinc/12/21/78/429122178.db2.gz LOVATIPUTDYWMB-GOSISDBHSA-N 3 1 319.468 2.676 20 0 DFADMP [NH3+]C[C@@H](C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000424305453 429122218 /nfs/dbraw/zinc/12/22/18/429122218.db2.gz SIHGJTOHKPTYBP-WMLDXEAASA-N 2 1 302.397 2.818 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@@](F)(c2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000424343052 429129992 /nfs/dbraw/zinc/12/99/92/429129992.db2.gz JAQWTDVBOVKTMX-HNNXBMFYSA-N 2 1 310.417 2.857 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@](F)(c2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000424343052 429129994 /nfs/dbraw/zinc/12/99/94/429129994.db2.gz JAQWTDVBOVKTMX-HNNXBMFYSA-N 2 1 310.417 2.857 20 0 DFADMP CC(C)C[C@H]([NH3+])CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424373263 429131103 /nfs/dbraw/zinc/13/11/03/429131103.db2.gz XLIMWKQKEHSFHD-GBESFXJTSA-N 2 1 301.478 2.566 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc([C@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370447 429131843 /nfs/dbraw/zinc/13/18/43/429131843.db2.gz CHURAPSMLUVGIT-UKRRQHHQSA-N 2 1 321.490 2.959 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000424368509 429132038 /nfs/dbraw/zinc/13/20/38/429132038.db2.gz ADEVJSJCGCTHLV-INIZCTEOSA-N 2 1 316.493 2.890 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424377665 429132332 /nfs/dbraw/zinc/13/23/32/429132332.db2.gz MMYIAAQIYGFGBD-MRXNPFEDSA-N 2 1 318.461 2.676 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374242 429133545 /nfs/dbraw/zinc/13/35/45/429133545.db2.gz XBYPAMMJTSUMQY-NVXWUHKLSA-N 2 1 311.429 2.830 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)n1 ZINC000424386061 429134282 /nfs/dbraw/zinc/13/42/82/429134282.db2.gz WUICAPWSSVFZLZ-AWEZNQCLSA-N 2 1 303.450 2.671 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494637781 429135231 /nfs/dbraw/zinc/13/52/31/429135231.db2.gz NCSRGQGNKGXHSJ-FGTMMUONSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374386 429137454 /nfs/dbraw/zinc/13/74/54/429137454.db2.gz XBYPAMMJTSUMQY-RDJZCZTQSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1nc(COc2ccc(C[N@H+]3CC[C@H](C[NH3+])C3)cc2)cs1 ZINC000435396571 429138680 /nfs/dbraw/zinc/13/86/80/429138680.db2.gz XABNZOAGOMYXNJ-OAHLLOKOSA-N 2 1 317.458 2.811 20 0 DFADMP COc1cc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c(SC)cc1OC ZINC000435432690 429141179 /nfs/dbraw/zinc/14/11/79/429141179.db2.gz OHVJISRRHNZPDD-CQSZACIVSA-N 2 1 324.490 3.000 20 0 DFADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c(SC)cc1OC ZINC000435432690 429141183 /nfs/dbraw/zinc/14/11/83/429141183.db2.gz OHVJISRRHNZPDD-CQSZACIVSA-N 2 1 324.490 3.000 20 0 DFADMP CCC[C@@H](C)C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435431429 429142365 /nfs/dbraw/zinc/14/23/65/429142365.db2.gz IMBHZUHOFABPCM-HZPDHXFCSA-N 2 1 304.482 2.800 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364034776 429160604 /nfs/dbraw/zinc/16/06/04/429160604.db2.gz HUAZCOSPJSDHKQ-WMLDXEAASA-N 2 1 324.538 2.593 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364034776 429160609 /nfs/dbraw/zinc/16/06/09/429160609.db2.gz HUAZCOSPJSDHKQ-WMLDXEAASA-N 2 1 324.538 2.593 20 0 DFADMP Cc1ncsc1C[N@H+](CCc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000435734664 429161360 /nfs/dbraw/zinc/16/13/60/429161360.db2.gz GZANQOXTURUJLS-MRXNPFEDSA-N 2 1 316.474 2.501 20 0 DFADMP Cc1ncsc1C[N@@H+](CCc1cccnc1)C[C@@H]1CC[NH2+]C1 ZINC000435734664 429161363 /nfs/dbraw/zinc/16/13/63/429161363.db2.gz GZANQOXTURUJLS-MRXNPFEDSA-N 2 1 316.474 2.501 20 0 DFADMP CC1CC[NH+](CC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000364061113 429163936 /nfs/dbraw/zinc/16/39/36/429163936.db2.gz YIOOUBHJZYVQEX-IBGZPJMESA-N 3 1 307.526 2.915 20 0 DFADMP CC1CC[NH+](CC2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC000364061113 429163941 /nfs/dbraw/zinc/16/39/41/429163941.db2.gz YIOOUBHJZYVQEX-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP CC1CC[NH+](CC2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000364061113 429163949 /nfs/dbraw/zinc/16/39/49/429163949.db2.gz YIOOUBHJZYVQEX-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP c1ccc(COC2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000364072070 429166406 /nfs/dbraw/zinc/16/64/06/429166406.db2.gz HLIMMXILCCEICH-TXQGORRRSA-N 2 1 300.446 2.951 20 0 DFADMP c1cc(C[N@H+](C[C@@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435694974 429159473 /nfs/dbraw/zinc/15/94/73/429159473.db2.gz MUOJKHIPZUAOEU-GOEBONIOSA-N 2 1 306.475 2.729 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@H]1Cc3[nH]c4ccccc4c3C1)CC2 ZINC000373021002 275073114 /nfs/dbraw/zinc/07/31/14/275073114.db2.gz DPTUQTFFENOCQL-ZIAGYGMSSA-N 2 1 306.413 2.684 20 0 DFADMP CC[C@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000495034477 429174542 /nfs/dbraw/zinc/17/45/42/429174542.db2.gz CRWOOBAOIITFHM-GJZGRUSLSA-N 2 1 309.498 2.534 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000495034477 429174544 /nfs/dbraw/zinc/17/45/44/429174544.db2.gz CRWOOBAOIITFHM-GJZGRUSLSA-N 2 1 309.498 2.534 20 0 DFADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@H]2C)c1 ZINC000495060136 429176434 /nfs/dbraw/zinc/17/64/34/429176434.db2.gz QCMKNQNZNVCZOR-FRQCXROJSA-N 2 1 320.477 2.778 20 0 DFADMP C[C@@H](CC[NH2+][C@@H]1CCC(=O)NC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000495077921 429177275 /nfs/dbraw/zinc/17/72/75/429177275.db2.gz GVAZFJYKPRBZKR-DOTOQJQBSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[C@H]1C ZINC000495081284 429177514 /nfs/dbraw/zinc/17/75/14/429177514.db2.gz GAJCHVFUMLPVRG-QDSNELGPSA-N 2 1 302.462 2.504 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[C@H]1C ZINC000495081284 429177516 /nfs/dbraw/zinc/17/75/16/429177516.db2.gz GAJCHVFUMLPVRG-QDSNELGPSA-N 2 1 302.462 2.504 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCc2ccnn2C)C1 ZINC000364303529 429178229 /nfs/dbraw/zinc/17/82/29/429178229.db2.gz NQFUGDJWSFEHEG-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC000364303529 429178232 /nfs/dbraw/zinc/17/82/32/429178232.db2.gz NQFUGDJWSFEHEG-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC000364303529 429178236 /nfs/dbraw/zinc/17/82/36/429178236.db2.gz NQFUGDJWSFEHEG-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000364303529 429178239 /nfs/dbraw/zinc/17/82/39/429178239.db2.gz NQFUGDJWSFEHEG-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000364303529 429178242 /nfs/dbraw/zinc/17/82/42/429178242.db2.gz NQFUGDJWSFEHEG-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP CCOC(=O)N[C@@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000495569334 429225010 /nfs/dbraw/zinc/22/50/10/429225010.db2.gz ONHAVWNTARGMCS-MRXNPFEDSA-N 2 1 305.422 2.533 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC ZINC000442925136 429240712 /nfs/dbraw/zinc/24/07/12/429240712.db2.gz UMXMWZLIOAGCSA-HNNXBMFYSA-N 2 1 306.450 2.793 20 0 DFADMP CC(C)(C)OC(=O)CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000364653344 429242070 /nfs/dbraw/zinc/24/20/70/429242070.db2.gz DWQSAPNQJUUPNB-IKGGRYGDSA-N 2 1 322.493 2.915 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)c1 ZINC000364728487 429258233 /nfs/dbraw/zinc/25/82/33/429258233.db2.gz SVKTVSYHXKAYGP-FUHWJXTLSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)c1 ZINC000364728487 429258239 /nfs/dbraw/zinc/25/82/39/429258239.db2.gz SVKTVSYHXKAYGP-FUHWJXTLSA-N 2 1 311.429 2.857 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364864504 429266776 /nfs/dbraw/zinc/26/67/76/429266776.db2.gz CVOHVJHZDFPRFQ-MTQWCTHYSA-N 2 1 319.537 2.937 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000425363716 429278998 /nfs/dbraw/zinc/27/89/98/429278998.db2.gz XSYASJVIPKAKFU-IAGOWNOFSA-N 2 1 306.475 2.502 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388606 429282776 /nfs/dbraw/zinc/28/27/76/429282776.db2.gz WHNGYDTYERZABQ-YPMHNXCESA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388606 429282782 /nfs/dbraw/zinc/28/27/82/429282782.db2.gz WHNGYDTYERZABQ-YPMHNXCESA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388606 429282785 /nfs/dbraw/zinc/28/27/85/429282785.db2.gz WHNGYDTYERZABQ-YPMHNXCESA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388606 429282789 /nfs/dbraw/zinc/28/27/89/429282789.db2.gz WHNGYDTYERZABQ-YPMHNXCESA-N 2 1 312.360 2.780 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542742 429318911 /nfs/dbraw/zinc/31/89/11/429318911.db2.gz OSLHHKGHTSGQKN-ROUUACIJSA-N 2 1 302.462 2.915 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542742 429318914 /nfs/dbraw/zinc/31/89/14/429318914.db2.gz OSLHHKGHTSGQKN-ROUUACIJSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542742 429318919 /nfs/dbraw/zinc/31/89/19/429318919.db2.gz OSLHHKGHTSGQKN-ROUUACIJSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542742 429318920 /nfs/dbraw/zinc/31/89/20/429318920.db2.gz OSLHHKGHTSGQKN-ROUUACIJSA-N 2 1 302.462 2.915 20 0 DFADMP CC[N@@H+](C)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449105432 429332136 /nfs/dbraw/zinc/33/21/36/429332136.db2.gz DLOBOUPGKAVDIQ-KRWDZBQOSA-N 2 1 303.494 2.623 20 0 DFADMP CCn1nccc1C1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000365519012 429333405 /nfs/dbraw/zinc/33/34/05/429333405.db2.gz XKGKXDGZCOXVIE-KRWDZBQOSA-N 2 1 304.482 2.957 20 0 DFADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C)cc2OC)CC1 ZINC000449110240 429334809 /nfs/dbraw/zinc/33/48/09/429334809.db2.gz BPNUPXSBBOKCEP-UHFFFAOYSA-N 2 1 306.450 2.594 20 0 DFADMP CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCC1 ZINC000449123550 429337867 /nfs/dbraw/zinc/33/78/67/429337867.db2.gz NODZROFGAYPWNY-SFHVURJKSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449131255 429339591 /nfs/dbraw/zinc/33/95/91/429339591.db2.gz LEAFVVURFUKEFQ-UHFFFAOYSA-N 2 1 315.461 2.796 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](CC)C2)[C@H](C)C1 ZINC000449139865 429341239 /nfs/dbraw/zinc/34/12/39/429341239.db2.gz LZPJNYZQJFZEBO-TVFCKZIOSA-N 2 1 312.498 2.671 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)[C@@H](C)C1 ZINC000449139863 429341829 /nfs/dbraw/zinc/34/18/29/429341829.db2.gz LZPJNYZQJFZEBO-MHORFTMASA-N 2 1 312.498 2.671 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1CSCC1CC[NH2+]CC1 ZINC000517930761 429405017 /nfs/dbraw/zinc/40/50/17/429405017.db2.gz INLOKNZWWXYEDC-UHFFFAOYSA-N 2 1 320.502 2.752 20 0 DFADMP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CCC(F)(F)F ZINC000426052900 429362700 /nfs/dbraw/zinc/36/27/00/429362700.db2.gz ULUVABFTQQFMBC-MGPQQGTHSA-N 2 1 309.420 2.579 20 0 DFADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000449235070 429363099 /nfs/dbraw/zinc/36/30/99/429363099.db2.gz SOMCFDMGEVCUMN-KXBFYZLASA-N 2 1 314.429 2.567 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000426291943 429380031 /nfs/dbraw/zinc/38/00/31/429380031.db2.gz MTWYCJFSOPLQTC-UHFFFAOYSA-N 2 1 313.445 2.501 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449326207 429387225 /nfs/dbraw/zinc/38/72/25/429387225.db2.gz TVMFUEPNFZBWTP-BRWVUGGUSA-N 2 1 309.498 2.522 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCS[C@@H](C)CC1 ZINC000426388980 429388942 /nfs/dbraw/zinc/38/89/42/429388942.db2.gz CACWQTHKEBRKHP-ZDUSSCGKSA-N 2 1 302.447 2.903 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C2CC2)CC1 ZINC000426414542 429389574 /nfs/dbraw/zinc/38/95/74/429389574.db2.gz BSAYLPXVVVRKSH-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)CC1 ZINC000426414542 429389578 /nfs/dbraw/zinc/38/95/78/429389578.db2.gz BSAYLPXVVVRKSH-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2C2CC2)CC1 ZINC000426414542 429389581 /nfs/dbraw/zinc/38/95/81/429389581.db2.gz BSAYLPXVVVRKSH-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1cccc2c1cc[nH+]c2NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000518969610 429441204 /nfs/dbraw/zinc/44/12/04/429441204.db2.gz PJGBZCFDYWDHAG-INIZCTEOSA-N 2 1 313.445 3.456 20 0 DFADMP Cc1cccc2c1cc[nH+]c2NCCC[N@H+]1CCCO[C@@H](C)C1 ZINC000518969610 429441210 /nfs/dbraw/zinc/44/12/10/429441210.db2.gz PJGBZCFDYWDHAG-INIZCTEOSA-N 2 1 313.445 3.456 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000449561905 429450614 /nfs/dbraw/zinc/45/06/14/429450614.db2.gz ZADSJALMEQEMPR-MQVJKMGUSA-N 2 1 304.482 2.970 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561905 429450616 /nfs/dbraw/zinc/45/06/16/429450616.db2.gz ZADSJALMEQEMPR-MQVJKMGUSA-N 2 1 304.482 2.970 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366490183 429464418 /nfs/dbraw/zinc/46/44/18/429464418.db2.gz NNKJDIJGIYGTHD-DNVCBOLYSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366490183 429464420 /nfs/dbraw/zinc/46/44/20/429464420.db2.gz NNKJDIJGIYGTHD-DNVCBOLYSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366490183 429464424 /nfs/dbraw/zinc/46/44/24/429464424.db2.gz NNKJDIJGIYGTHD-DNVCBOLYSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366490183 429464427 /nfs/dbraw/zinc/46/44/27/429464427.db2.gz NNKJDIJGIYGTHD-DNVCBOLYSA-N 2 1 316.445 2.937 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366071336 429413104 /nfs/dbraw/zinc/41/31/04/429413104.db2.gz CUMDACDVABALJH-HOTGVXAUSA-N 2 1 301.438 2.631 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000426771340 429414872 /nfs/dbraw/zinc/41/48/72/429414872.db2.gz BAFYVEXLRMXTPL-SJORKVTESA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000426790885 429417069 /nfs/dbraw/zinc/41/70/69/429417069.db2.gz BXEQHDUWTHHHGB-RDJZCZTQSA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426790885 429417074 /nfs/dbraw/zinc/41/70/74/429417074.db2.gz BXEQHDUWTHHHGB-RDJZCZTQSA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000426790885 429417077 /nfs/dbraw/zinc/41/70/77/429417077.db2.gz BXEQHDUWTHHHGB-RDJZCZTQSA-N 2 1 309.498 2.628 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC000426789144 429418060 /nfs/dbraw/zinc/41/80/60/429418060.db2.gz SAEKNZULDDACOG-SJORKVTESA-N 2 1 323.525 2.830 20 0 DFADMP C[N@@H+](C[C@H](O)CNc1ccc(Oc2ccncc2)cc1)C1CC1 ZINC000518365133 429419887 /nfs/dbraw/zinc/41/98/87/429419887.db2.gz BYZPQBYHGXPYSK-MRXNPFEDSA-N 2 1 313.401 2.741 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000366213850 429435563 /nfs/dbraw/zinc/43/55/63/429435563.db2.gz ZKJRRTLRYFAXLE-OSRSDYAFSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000366213850 429435567 /nfs/dbraw/zinc/43/55/67/429435567.db2.gz ZKJRRTLRYFAXLE-OSRSDYAFSA-N 2 1 304.434 2.837 20 0 DFADMP CCC[C@H](C)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449504104 429436916 /nfs/dbraw/zinc/43/69/16/429436916.db2.gz QAJNRYCOROOEKU-PKOBYXMFSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@H](C)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449504104 429436921 /nfs/dbraw/zinc/43/69/21/429436921.db2.gz QAJNRYCOROOEKU-PKOBYXMFSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@H](C)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449504104 429436929 /nfs/dbraw/zinc/43/69/29/429436929.db2.gz QAJNRYCOROOEKU-PKOBYXMFSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@H](C)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449504104 429436933 /nfs/dbraw/zinc/43/69/33/429436933.db2.gz QAJNRYCOROOEKU-PKOBYXMFSA-N 2 1 323.525 2.689 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@]2(CCOC2)C1 ZINC000449684123 429477894 /nfs/dbraw/zinc/47/78/94/429477894.db2.gz QVLWOQQHVGPGPC-SFHVURJKSA-N 2 1 312.417 2.578 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000427928571 429479032 /nfs/dbraw/zinc/47/90/32/429479032.db2.gz DGVZCCNCFOVEJU-QGZVFWFLSA-N 2 1 323.525 2.591 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000366571609 429479337 /nfs/dbraw/zinc/47/93/37/429479337.db2.gz XZRVFSNTSBRVEP-QFBILLFUSA-N 2 1 315.461 2.658 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)C(C)C)cc1F ZINC000366596105 429484046 /nfs/dbraw/zinc/48/40/46/429484046.db2.gz JJOVGUDDXZPEQD-YVEFUNNKSA-N 2 1 305.397 2.987 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000519747617 429485185 /nfs/dbraw/zinc/48/51/85/429485185.db2.gz HEJNHFITCBJWSL-MRXNPFEDSA-N 2 1 316.449 2.532 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449712468 429486923 /nfs/dbraw/zinc/48/69/23/429486923.db2.gz RXEBLJQTJBOLRJ-QXCFHYIPSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000366695968 429496659 /nfs/dbraw/zinc/49/66/59/429496659.db2.gz ZVNYINSGQXXJLV-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000366695968 429496663 /nfs/dbraw/zinc/49/66/63/429496663.db2.gz ZVNYINSGQXXJLV-SFHVURJKSA-N 2 1 304.482 2.635 20 0 DFADMP C[C@H]1C[C@H](O)C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000449767762 429501254 /nfs/dbraw/zinc/50/12/54/429501254.db2.gz QWCOVMVJADQTJT-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[C@H](O)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000449767762 429501258 /nfs/dbraw/zinc/50/12/58/429501258.db2.gz QWCOVMVJADQTJT-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[C@H](O)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000449767762 429501260 /nfs/dbraw/zinc/50/12/60/429501260.db2.gz QWCOVMVJADQTJT-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000520834469 429530802 /nfs/dbraw/zinc/53/08/02/429530802.db2.gz CRIVBDNIMZHFOX-GJZGRUSLSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000520834469 429530805 /nfs/dbraw/zinc/53/08/05/429530805.db2.gz CRIVBDNIMZHFOX-GJZGRUSLSA-N 2 1 321.465 2.652 20 0 DFADMP CC(C)[N@@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000449803887 429514033 /nfs/dbraw/zinc/51/40/33/429514033.db2.gz QBMVIQDFKYFWHK-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449803887 429514035 /nfs/dbraw/zinc/51/40/35/429514035.db2.gz QBMVIQDFKYFWHK-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)[NH+](C)CCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449803887 429514039 /nfs/dbraw/zinc/51/40/39/429514039.db2.gz QBMVIQDFKYFWHK-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000449810445 429516286 /nfs/dbraw/zinc/51/62/86/429516286.db2.gz LXVRZHUNBBCNHQ-NJAFHUGGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449810445 429516289 /nfs/dbraw/zinc/51/62/89/429516289.db2.gz LXVRZHUNBBCNHQ-NJAFHUGGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449810445 429516294 /nfs/dbraw/zinc/51/62/94/429516294.db2.gz LXVRZHUNBBCNHQ-NJAFHUGGSA-N 2 1 319.493 2.527 20 0 DFADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449828471 429519862 /nfs/dbraw/zinc/51/98/62/429519862.db2.gz XEPQMDBIGLKZEK-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]CCC(=O)NC2CCCCC2)c2ccccc21 ZINC000521423812 429550899 /nfs/dbraw/zinc/55/08/99/429550899.db2.gz VWDNOJBJVIBKHR-SJORKVTESA-N 2 1 301.434 2.560 20 0 DFADMP CC(C)c1ccc([C@H]([NH3+])CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC000428914606 429559641 /nfs/dbraw/zinc/55/96/41/429559641.db2.gz GAZMNYPZWJKPCV-RVKKMQEKSA-N 2 1 317.477 2.799 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2-c2cnn(C)c2)C1 ZINC000367025810 429561233 /nfs/dbraw/zinc/56/12/33/429561233.db2.gz FIZCKVBJLLMBPB-MRXNPFEDSA-N 2 1 312.461 2.827 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000492606921 429577020 /nfs/dbraw/zinc/57/70/20/429577020.db2.gz FVKPSICPXJAZQO-ILXRZTDVSA-N 2 1 313.486 2.704 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000492606921 429577031 /nfs/dbraw/zinc/57/70/31/429577031.db2.gz FVKPSICPXJAZQO-ILXRZTDVSA-N 2 1 313.486 2.704 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)C[C@@H]1C ZINC000492606921 429577036 /nfs/dbraw/zinc/57/70/36/429577036.db2.gz FVKPSICPXJAZQO-ILXRZTDVSA-N 2 1 313.486 2.704 20 0 DFADMP COCC(C)(C)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000428567375 429534689 /nfs/dbraw/zinc/53/46/89/429534689.db2.gz RDMZPBSHRJTZRZ-GOSISDBHSA-N 2 1 320.477 2.540 20 0 DFADMP COCC(C)(C)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000428567375 429534693 /nfs/dbraw/zinc/53/46/93/429534693.db2.gz RDMZPBSHRJTZRZ-GOSISDBHSA-N 2 1 320.477 2.540 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCC[NH2+]C2)c1 ZINC000521068115 429537789 /nfs/dbraw/zinc/53/77/89/429537789.db2.gz MUBWTRCQKBDKQE-KRWDZBQOSA-N 2 1 317.477 2.533 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458298464 429617367 /nfs/dbraw/zinc/61/73/67/429617367.db2.gz ZIXZZUWBHZNFGT-KRWDZBQOSA-N 2 1 303.450 2.870 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)C2CCCCC2)CC1 ZINC000524156023 429620110 /nfs/dbraw/zinc/62/01/10/429620110.db2.gz AJSBETWFZKLZSE-UHFFFAOYSA-N 2 1 323.525 2.830 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000429616065 429622489 /nfs/dbraw/zinc/62/24/89/429622489.db2.gz NHOKRPAZNSFNJC-QGZVFWFLSA-N 2 1 317.477 2.918 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(C(C)=O)c2)C1 ZINC000450458026 429630694 /nfs/dbraw/zinc/63/06/94/429630694.db2.gz WWKUPVSJUQAFGE-IBGZPJMESA-N 2 1 318.461 2.822 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCC(F)(F)C2)C1 ZINC000450454986 429632264 /nfs/dbraw/zinc/63/22/64/429632264.db2.gz PMTJNSMGHUNWSG-LSDHHAIUSA-N 2 1 304.425 2.855 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)/C=C\C[NH+](C)C)c2C1 ZINC000492860174 429632570 /nfs/dbraw/zinc/63/25/70/429632570.db2.gz CTSKLDFQYYDQJY-TWGQIWQCSA-N 2 1 301.434 2.715 20 0 DFADMP C[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)[C@H](C)CN1Cc1ccccc1 ZINC000492872676 429633668 /nfs/dbraw/zinc/63/36/68/429633668.db2.gz ZKCOIBJENIQEJS-NKIGNDQYSA-N 2 1 324.428 2.544 20 0 DFADMP C[N@@H+](CCc1cccc(NC(=O)C=Cc2c[nH]cn2)c1)C1CC1 ZINC000492870135 429634610 /nfs/dbraw/zinc/63/46/10/429634610.db2.gz VEZZVTKJGUAFSA-VMPITWQZSA-N 2 1 310.401 2.698 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450472251 429635360 /nfs/dbraw/zinc/63/53/60/429635360.db2.gz LRLLZTJWUQESPV-SNRMKQJTSA-N 2 1 313.445 2.821 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450472251 429635364 /nfs/dbraw/zinc/63/53/64/429635364.db2.gz LRLLZTJWUQESPV-SNRMKQJTSA-N 2 1 313.445 2.821 20 0 DFADMP C(CC[NH+]1CCC[C@]12CCOC2)CC[N@H+]1CCC[C@]12CCOC2 ZINC000367459690 429653046 /nfs/dbraw/zinc/65/30/46/429653046.db2.gz VJKADHPQUYLWLJ-RTBURBONSA-N 2 1 322.493 2.667 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561263 429649140 /nfs/dbraw/zinc/64/91/40/429649140.db2.gz GXKOTHYEMZXSQC-NEPXVJNWSA-N 2 1 304.478 2.813 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561263 429649144 /nfs/dbraw/zinc/64/91/44/429649144.db2.gz GXKOTHYEMZXSQC-NEPXVJNWSA-N 2 1 304.478 2.813 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561263 429649146 /nfs/dbraw/zinc/64/91/46/429649146.db2.gz GXKOTHYEMZXSQC-NEPXVJNWSA-N 2 1 304.478 2.813 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000429275747 429595045 /nfs/dbraw/zinc/59/50/45/429595045.db2.gz LJMJGPWXVYJTMX-WMZOPIPTSA-N 2 1 315.461 2.528 20 0 DFADMP CC(C)CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000429347358 429601600 /nfs/dbraw/zinc/60/16/00/429601600.db2.gz SKQJTQIELHHXGC-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000429347358 429601602 /nfs/dbraw/zinc/60/16/02/429601602.db2.gz SKQJTQIELHHXGC-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000429347358 429601605 /nfs/dbraw/zinc/60/16/05/429601605.db2.gz SKQJTQIELHHXGC-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000429347358 429601609 /nfs/dbraw/zinc/60/16/09/429601609.db2.gz SKQJTQIELHHXGC-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000523115934 429602034 /nfs/dbraw/zinc/60/20/34/429602034.db2.gz GAPDUMYSBYNUCQ-ZACQAIPSSA-N 2 1 323.525 2.827 20 0 DFADMP CC(C)CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000429347356 429602065 /nfs/dbraw/zinc/60/20/65/429602065.db2.gz SKQJTQIELHHXGC-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000429347356 429602067 /nfs/dbraw/zinc/60/20/67/429602067.db2.gz SKQJTQIELHHXGC-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000429347356 429602068 /nfs/dbraw/zinc/60/20/68/429602068.db2.gz SKQJTQIELHHXGC-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000429347356 429602069 /nfs/dbraw/zinc/60/20/69/429602069.db2.gz SKQJTQIELHHXGC-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)CC1 ZINC000367252558 429605759 /nfs/dbraw/zinc/60/57/59/429605759.db2.gz NETARAPAVBNLKR-GOSISDBHSA-N 2 1 323.525 2.687 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)cc1 ZINC000523509875 429608332 /nfs/dbraw/zinc/60/83/32/429608332.db2.gz VLGMPLQNQVKZES-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP COC1(C[C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000429402012 429608424 /nfs/dbraw/zinc/60/84/24/429608424.db2.gz HWGROQISZXWJJE-YESZJQIVSA-N 2 1 312.498 2.813 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450388738 429614298 /nfs/dbraw/zinc/61/42/98/429614298.db2.gz JEATUSFGRVYNGT-IBGZPJMESA-N 2 1 305.510 2.979 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@H]2CCOC2=O)[C@H]1c1ccccc1 ZINC000367490286 429658987 /nfs/dbraw/zinc/65/89/87/429658987.db2.gz RVQJZVOMAKQXOG-RCCFBDPRSA-N 2 1 316.445 2.612 20 0 DFADMP C[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450613006 429660189 /nfs/dbraw/zinc/66/01/89/429660189.db2.gz LUYKAQDMQAHANE-GUDVDZBRSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000450613006 429660191 /nfs/dbraw/zinc/66/01/91/429660191.db2.gz LUYKAQDMQAHANE-GUDVDZBRSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)CC1 ZINC000450613006 429660193 /nfs/dbraw/zinc/66/01/93/429660193.db2.gz LUYKAQDMQAHANE-GUDVDZBRSA-N 2 1 324.509 2.626 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372924254 276019310 /nfs/dbraw/zinc/01/93/10/276019310.db2.gz MSVQYGGEIWWELI-QRVBRYPASA-N 2 1 302.462 2.707 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372924254 276019311 /nfs/dbraw/zinc/01/93/11/276019311.db2.gz MSVQYGGEIWWELI-QRVBRYPASA-N 2 1 302.462 2.707 20 0 DFADMP C[C@H]1C[N@@H+](CC23CCC(CC2)C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450640746 429668185 /nfs/dbraw/zinc/66/81/85/429668185.db2.gz GWNDGZJZCGJRLT-BMHOQUIDSA-N 2 1 305.510 2.525 20 0 DFADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450646463 429669175 /nfs/dbraw/zinc/66/91/75/429669175.db2.gz MVNPGORROPUJTM-MJGOQNOKSA-N 2 1 305.510 2.835 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CSC[C@@H]3C)sc2C1 ZINC000367576366 429675683 /nfs/dbraw/zinc/67/56/83/429675683.db2.gz PXWFCPQBAUALDI-AAEUAGOBSA-N 2 1 311.520 2.751 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CSC[C@@H]3C)sc2C1 ZINC000367576366 429675685 /nfs/dbraw/zinc/67/56/85/429675685.db2.gz PXWFCPQBAUALDI-AAEUAGOBSA-N 2 1 311.520 2.751 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090001841 276095061 /nfs/dbraw/zinc/09/50/61/276095061.db2.gz PUJGMJPSBYYRTR-DOTOQJQBSA-N 2 1 323.868 2.543 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090001841 276095063 /nfs/dbraw/zinc/09/50/63/276095063.db2.gz PUJGMJPSBYYRTR-DOTOQJQBSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000450653754 429670054 /nfs/dbraw/zinc/67/00/54/429670054.db2.gz PTRHYHWTUJPNEM-LSDHHAIUSA-N 2 1 315.452 2.522 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000359608996 276110115 /nfs/dbraw/zinc/11/01/15/276110115.db2.gz UFQPCZVQBIQAPQ-VQIMIIECSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CCN(C)C[C@H]2C)cc1 ZINC000359608996 276110116 /nfs/dbraw/zinc/11/01/16/276110116.db2.gz UFQPCZVQBIQAPQ-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2F)CC1 ZINC000358504876 276149067 /nfs/dbraw/zinc/14/90/67/276149067.db2.gz JIXZHESYTHFTOT-UHFFFAOYSA-N 2 1 307.413 2.570 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2F)CC1 ZINC000358504876 276149069 /nfs/dbraw/zinc/14/90/69/276149069.db2.gz JIXZHESYTHFTOT-UHFFFAOYSA-N 2 1 307.413 2.570 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000367585081 429677672 /nfs/dbraw/zinc/67/76/72/429677672.db2.gz CRLXTCAAQXJESA-MQVJKMGUSA-N 2 1 303.406 2.580 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000367585081 429677674 /nfs/dbraw/zinc/67/76/74/429677674.db2.gz CRLXTCAAQXJESA-MQVJKMGUSA-N 2 1 303.406 2.580 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000356219312 276198266 /nfs/dbraw/zinc/19/82/66/276198266.db2.gz GTDDIJJXVKDCGU-NZSAHSFTSA-N 2 1 305.510 2.691 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H]2CCC[C@@H]21 ZINC000367601062 429682207 /nfs/dbraw/zinc/68/22/07/429682207.db2.gz MELQDQLTICDHRY-AABGKKOBSA-N 2 1 324.472 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367639287 429690948 /nfs/dbraw/zinc/69/09/48/429690948.db2.gz UTFFWAKWNHYVLE-OKZBNKHCSA-N 2 1 314.477 2.644 20 0 DFADMP CCC[NH+]1CCC(N2CC[NH+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000369272353 276257421 /nfs/dbraw/zinc/25/74/21/276257421.db2.gz BDVLTGSOLCDCTG-KRWDZBQOSA-N 2 1 316.493 2.635 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617735 429686868 /nfs/dbraw/zinc/68/68/68/429686868.db2.gz REFKDWHUZHEHQY-IPMKNSEASA-N 2 1 319.468 2.720 20 0 DFADMP CN(CC[NH2+][C@@H]1CCN(C)[C@@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617735 429686872 /nfs/dbraw/zinc/68/68/72/429686872.db2.gz REFKDWHUZHEHQY-IPMKNSEASA-N 2 1 319.468 2.720 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCCC(F)(F)F)C2)CC1 ZINC000367622081 429687171 /nfs/dbraw/zinc/68/71/71/429687171.db2.gz FCKDOSKJSVKAFQ-HNNXBMFYSA-N 2 1 321.431 2.678 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1)C1CC1 ZINC000246258676 276311426 /nfs/dbraw/zinc/31/14/26/276311426.db2.gz KPCRVDUKTQBQRE-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000246258676 276311428 /nfs/dbraw/zinc/31/14/28/276311428.db2.gz KPCRVDUKTQBQRE-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1)C1CC1 ZINC000246258676 276311430 /nfs/dbraw/zinc/31/14/30/276311430.db2.gz KPCRVDUKTQBQRE-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000430574973 429693527 /nfs/dbraw/zinc/69/35/27/429693527.db2.gz PLBNEUBMRHTLNM-RYRKJORJSA-N 2 1 319.493 2.600 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000430574973 429693531 /nfs/dbraw/zinc/69/35/31/429693531.db2.gz PLBNEUBMRHTLNM-RYRKJORJSA-N 2 1 319.493 2.600 20 0 DFADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430574888 429694151 /nfs/dbraw/zinc/69/41/51/429694151.db2.gz PERDLKOQSAPBIO-IRXDYDNUSA-N 2 1 321.465 2.718 20 0 DFADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430574888 429694155 /nfs/dbraw/zinc/69/41/55/429694155.db2.gz PERDLKOQSAPBIO-IRXDYDNUSA-N 2 1 321.465 2.718 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3cccc(C)c3)no2)CC1 ZINC000430578832 429695542 /nfs/dbraw/zinc/69/55/42/429695542.db2.gz BNIXVDOLXOMHGY-UHFFFAOYSA-N 2 1 314.433 2.867 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430585174 429696175 /nfs/dbraw/zinc/69/61/75/429696175.db2.gz PXJIIQSPCYLGOU-YJBOKZPZSA-N 2 1 317.477 2.632 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000430585174 429696180 /nfs/dbraw/zinc/69/61/80/429696180.db2.gz PXJIIQSPCYLGOU-YJBOKZPZSA-N 2 1 317.477 2.632 20 0 DFADMP C[N@H+](CC1CC(F)(F)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450779742 429697957 /nfs/dbraw/zinc/69/79/57/429697957.db2.gz OGHYEGWYFOYOQQ-QGZVFWFLSA-N 2 1 324.415 2.601 20 0 DFADMP C[N@@H+](CC1CC(F)(F)C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000450779742 429697962 /nfs/dbraw/zinc/69/79/62/429697962.db2.gz OGHYEGWYFOYOQQ-QGZVFWFLSA-N 2 1 324.415 2.601 20 0 DFADMP C[NH+](CC1CC(F)(F)C1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000450779742 429697967 /nfs/dbraw/zinc/69/79/67/429697967.db2.gz OGHYEGWYFOYOQQ-QGZVFWFLSA-N 2 1 324.415 2.601 20 0 DFADMP C[NH+](CC1CC(F)(F)C1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000450779742 429697972 /nfs/dbraw/zinc/69/79/72/429697972.db2.gz OGHYEGWYFOYOQQ-QGZVFWFLSA-N 2 1 324.415 2.601 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000430607314 429700943 /nfs/dbraw/zinc/70/09/43/429700943.db2.gz YGBVLATVSKHNFG-MSOLQXFVSA-N 2 1 317.477 2.766 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000430607314 429700947 /nfs/dbraw/zinc/70/09/47/429700947.db2.gz YGBVLATVSKHNFG-MSOLQXFVSA-N 2 1 317.477 2.766 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2[C@H]4COC[C@H]42)C3)cc1 ZINC000367691132 429701558 /nfs/dbraw/zinc/70/15/58/429701558.db2.gz SYVBGTHGIBCEED-FXYHRWFLSA-N 2 1 312.457 2.664 20 0 DFADMP COC[C@H](C)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000526120454 429704306 /nfs/dbraw/zinc/70/43/06/429704306.db2.gz OOOWFOXFKMHYBW-CABCVRRESA-N 2 1 323.506 2.712 20 0 DFADMP COC[C@H](C)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000526120454 429704309 /nfs/dbraw/zinc/70/43/09/429704309.db2.gz OOOWFOXFKMHYBW-CABCVRRESA-N 2 1 323.506 2.712 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430643517 429705215 /nfs/dbraw/zinc/70/52/15/429705215.db2.gz MBUSOMDWCZCOGB-JZXOWHBKSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430643517 429705222 /nfs/dbraw/zinc/70/52/22/429705222.db2.gz MBUSOMDWCZCOGB-JZXOWHBKSA-N 2 1 317.477 2.703 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367727468 429707313 /nfs/dbraw/zinc/70/73/13/429707313.db2.gz OZJJRLYNONVGKA-BRWVUGGUSA-N 2 1 303.450 2.833 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367727468 429707318 /nfs/dbraw/zinc/70/73/18/429707318.db2.gz OZJJRLYNONVGKA-BRWVUGGUSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430758717 429714747 /nfs/dbraw/zinc/71/47/47/429714747.db2.gz DGGGSFQNPRKMEH-NCOADZHNSA-N 2 1 309.498 2.663 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000430771431 429715276 /nfs/dbraw/zinc/71/52/76/429715276.db2.gz DDQQQMYZMYTPJB-IXDOHACOSA-N 2 1 309.498 2.665 20 0 DFADMP CN(C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809448 429721384 /nfs/dbraw/zinc/72/13/84/429721384.db2.gz GHASTMSWZZFZTJ-CJNGLKHVSA-N 2 1 320.868 2.951 20 0 DFADMP C[NH+](C)CC(C)(C)C[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000367810041 429722008 /nfs/dbraw/zinc/72/20/08/429722008.db2.gz MHSLMVIGXZEMTM-AWEZNQCLSA-N 2 1 307.413 2.777 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000482163444 429723898 /nfs/dbraw/zinc/72/38/98/429723898.db2.gz LNOBEZKRBSZILS-RDJZCZTQSA-N 2 1 309.498 2.535 20 0 DFADMP Cc1sc(NC(=O)C[NH+]2CCC([C@@H](C)[NH3+])CC2)c(C)c1C ZINC000430926696 429725718 /nfs/dbraw/zinc/72/57/18/429725718.db2.gz GSYHFLWOJDYVFB-GFCCVEGCSA-N 2 1 309.479 2.671 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000482436601 429725870 /nfs/dbraw/zinc/72/58/70/429725870.db2.gz IYWKNFMDDTWMDR-AQNXPRMDSA-N 2 1 316.489 2.956 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430938354 429726386 /nfs/dbraw/zinc/72/63/86/429726386.db2.gz BMDMPFBMDKZTLZ-INIZCTEOSA-N 2 1 309.413 2.720 20 0 DFADMP C[C@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430951638 429729236 /nfs/dbraw/zinc/72/92/36/429729236.db2.gz VWZDKVQBYSLZBD-SMDDNHRTSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430951636 429729421 /nfs/dbraw/zinc/72/94/21/429729421.db2.gz VWZDKVQBYSLZBD-RISCZKNCSA-N 2 1 302.340 2.753 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000431047301 429737591 /nfs/dbraw/zinc/73/75/91/429737591.db2.gz WRTMSRHKVFQABW-ZWKOTPCHSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431077228 429739951 /nfs/dbraw/zinc/73/99/51/429739951.db2.gz AUIVBYXHLMDTQC-OCCSQVGLSA-N 2 1 300.406 2.641 20 0 DFADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324961 429743705 /nfs/dbraw/zinc/74/37/05/429743705.db2.gz STBLZNLIDRMJQG-HKUYNNGSSA-N 2 1 324.472 2.990 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368134600 429795739 /nfs/dbraw/zinc/79/57/39/429795739.db2.gz MPLFGTKHFQWBMR-HNNXBMFYSA-N 2 1 301.438 2.663 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368134600 429795743 /nfs/dbraw/zinc/79/57/43/429795743.db2.gz MPLFGTKHFQWBMR-HNNXBMFYSA-N 2 1 301.438 2.663 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1OCCc2sccc21 ZINC000368144924 429797457 /nfs/dbraw/zinc/79/74/57/429797457.db2.gz XLBKOGRKWVBBJQ-CFAJVAMVSA-N 2 1 306.475 2.967 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)C[NH+]1CCCC1 ZINC000527845982 429808306 /nfs/dbraw/zinc/80/83/06/429808306.db2.gz BWHCUGRQOQXQPL-LRDDRELGSA-N 2 1 312.816 2.513 20 0 DFADMP CC1CC[NH+](CCN2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000493654366 429804508 /nfs/dbraw/zinc/80/45/08/429804508.db2.gz IBRYISKEMCMUEJ-LJQANCHMSA-N 2 1 315.505 2.925 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000527496090 429752686 /nfs/dbraw/zinc/75/26/86/429752686.db2.gz RTMQWECITUFIRJ-DHSIGJKJSA-N 2 1 314.433 2.557 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000451065876 429760606 /nfs/dbraw/zinc/76/06/06/429760606.db2.gz WAIRAKBXLKIQLN-YRXWBPOGSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000451065876 429760612 /nfs/dbraw/zinc/76/06/12/429760612.db2.gz WAIRAKBXLKIQLN-YRXWBPOGSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+]([C@H]2C[C@H]2C)C[C@H](C)C1 ZINC000451065876 429760614 /nfs/dbraw/zinc/76/06/14/429760614.db2.gz WAIRAKBXLKIQLN-YRXWBPOGSA-N 2 1 307.526 2.911 20 0 DFADMP C[N@H+](CCCCC1CCOCC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368071693 429780254 /nfs/dbraw/zinc/78/02/54/429780254.db2.gz NPMDAWWOZWJRNU-QGZVFWFLSA-N 2 1 305.466 2.974 20 0 DFADMP C[N@@H+](CCCCC1CCOCC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368071693 429780257 /nfs/dbraw/zinc/78/02/57/429780257.db2.gz NPMDAWWOZWJRNU-QGZVFWFLSA-N 2 1 305.466 2.974 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431745477 429780402 /nfs/dbraw/zinc/78/04/02/429780402.db2.gz QSQZPGYXOAJYJS-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072736 429781004 /nfs/dbraw/zinc/78/10/04/429781004.db2.gz PZLKGTPZXTUKFV-RTBURBONSA-N 2 1 302.462 2.844 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072736 429781007 /nfs/dbraw/zinc/78/10/07/429781007.db2.gz PZLKGTPZXTUKFV-RTBURBONSA-N 2 1 302.462 2.844 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072736 429781010 /nfs/dbraw/zinc/78/10/10/429781010.db2.gz PZLKGTPZXTUKFV-RTBURBONSA-N 2 1 302.462 2.844 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC12CC2 ZINC000527846596 429807843 /nfs/dbraw/zinc/80/78/43/429807843.db2.gz MGXFKBLYLCXEBP-MAUKXSAKSA-N 2 1 300.446 2.797 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431784578 429782232 /nfs/dbraw/zinc/78/22/32/429782232.db2.gz LZHLOWDQPIGTDA-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431784578 429782234 /nfs/dbraw/zinc/78/22/34/429782234.db2.gz LZHLOWDQPIGTDA-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000431784578 429782237 /nfs/dbraw/zinc/78/22/37/429782237.db2.gz LZHLOWDQPIGTDA-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP FC(F)COCC[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368091221 429785286 /nfs/dbraw/zinc/78/52/86/429785286.db2.gz VXVBZSZPXJVFLO-DLBZAZTESA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000368091221 429785291 /nfs/dbraw/zinc/78/52/91/429785291.db2.gz VXVBZSZPXJVFLO-DLBZAZTESA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368091221 429785295 /nfs/dbraw/zinc/78/52/95/429785295.db2.gz VXVBZSZPXJVFLO-DLBZAZTESA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000368091221 429785298 /nfs/dbraw/zinc/78/52/98/429785298.db2.gz VXVBZSZPXJVFLO-DLBZAZTESA-N 2 1 324.415 2.722 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000431861773 429786991 /nfs/dbraw/zinc/78/69/91/429786991.db2.gz VZMSAXCPJFUKPU-KBAYOESNSA-N 2 1 317.477 2.621 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000368273470 429820906 /nfs/dbraw/zinc/82/09/06/429820906.db2.gz MSSVEQSJGGAIBO-HSALFYBXSA-N 2 1 313.489 2.643 20 0 DFADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cn1 ZINC000432424733 429823559 /nfs/dbraw/zinc/82/35/59/429823559.db2.gz QTCQDYYCYGYUTK-HZPDHXFCSA-N 2 1 308.470 2.616 20 0 DFADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cn1 ZINC000432424733 429823564 /nfs/dbraw/zinc/82/35/64/429823564.db2.gz QTCQDYYCYGYUTK-HZPDHXFCSA-N 2 1 308.470 2.616 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4cc(Cl)ccc4[C@@H]32)CC1 ZINC000527941235 429824285 /nfs/dbraw/zinc/82/42/85/429824285.db2.gz DUZFQSPSOOSEGI-FGTMMUONSA-N 2 1 320.864 2.679 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(c3nc(C)no3)CC2)C1 ZINC000368369021 429838013 /nfs/dbraw/zinc/83/80/13/429838013.db2.gz GPAGJAMACVJAJJ-FHERZECASA-N 2 1 306.454 2.726 20 0 DFADMP CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000493953590 429851361 /nfs/dbraw/zinc/85/13/61/429851361.db2.gz VJXBRWRMHQFYFE-KYHPRHEASA-N 2 1 317.477 2.654 20 0 DFADMP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000368504225 429858773 /nfs/dbraw/zinc/85/87/73/429858773.db2.gz UBLVXXYUANARLC-HIFRSBDPSA-N 2 1 317.408 2.814 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)Cc1cccc(F)c1 ZINC000494258711 429863080 /nfs/dbraw/zinc/86/30/80/429863080.db2.gz CSPHDTHEUCFICK-UHFFFAOYSA-N 2 1 305.397 2.605 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)Cc1cccc(F)c1 ZINC000494258711 429863084 /nfs/dbraw/zinc/86/30/84/429863084.db2.gz CSPHDTHEUCFICK-UHFFFAOYSA-N 2 1 305.397 2.605 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000368539236 429864661 /nfs/dbraw/zinc/86/46/61/429864661.db2.gz SBGZGTQGKVTFIZ-UHOSZYNNSA-N 2 1 302.462 2.769 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000368539236 429864664 /nfs/dbraw/zinc/86/46/64/429864664.db2.gz SBGZGTQGKVTFIZ-UHOSZYNNSA-N 2 1 302.462 2.769 20 0 DFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(Cl)c1Cl ZINC000432240793 429810462 /nfs/dbraw/zinc/81/04/62/429810462.db2.gz GKCSSSDNEQTELM-SNVBAGLBSA-N 2 1 322.305 2.780 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CC34CC4)CC2)nc(C)[nH+]1 ZINC000527866475 429812042 /nfs/dbraw/zinc/81/20/42/429812042.db2.gz IIPCUHNPNWICMZ-CJNGLKHVSA-N 2 1 300.450 2.840 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000528385355 429882577 /nfs/dbraw/zinc/88/25/77/429882577.db2.gz BPVYEJVFGSAERQ-SJLPKXTDSA-N 2 1 308.441 2.657 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000528387101 429883904 /nfs/dbraw/zinc/88/39/04/429883904.db2.gz LASQEGBZLXDDIE-QAPCUYQASA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000528387101 429883907 /nfs/dbraw/zinc/88/39/07/429883907.db2.gz LASQEGBZLXDDIE-QAPCUYQASA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000528387103 429883981 /nfs/dbraw/zinc/88/39/81/429883981.db2.gz LASQEGBZLXDDIE-YJBOKZPZSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000528387103 429883983 /nfs/dbraw/zinc/88/39/83/429883983.db2.gz LASQEGBZLXDDIE-YJBOKZPZSA-N 2 1 306.425 2.931 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cccnc3)C2)nc(C)[nH+]1 ZINC000368678588 429886421 /nfs/dbraw/zinc/88/64/21/429886421.db2.gz VDZKVMIACAJCNW-PBHICJAKSA-N 2 1 311.433 2.808 20 0 DFADMP CO[C@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000528519698 429896252 /nfs/dbraw/zinc/89/62/52/429896252.db2.gz VTFZTBWIRHDPDK-MSOLQXFVSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000528519698 429896253 /nfs/dbraw/zinc/89/62/53/429896253.db2.gz VTFZTBWIRHDPDK-MSOLQXFVSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(F)cc1 ZINC000528519698 429896254 /nfs/dbraw/zinc/89/62/54/429896254.db2.gz VTFZTBWIRHDPDK-MSOLQXFVSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(F)cc1 ZINC000528519698 429896255 /nfs/dbraw/zinc/89/62/55/429896255.db2.gz VTFZTBWIRHDPDK-MSOLQXFVSA-N 2 1 306.425 2.931 20 0 DFADMP CC(C)[C@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+](C)C ZINC000368819221 429896893 /nfs/dbraw/zinc/89/68/93/429896893.db2.gz SCMRBLHAVZGUIF-QGZVFWFLSA-N 2 1 301.434 2.689 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1OC(C)C ZINC000368845311 429897882 /nfs/dbraw/zinc/89/78/82/429897882.db2.gz LMNCUCNAVYIFLQ-HNNXBMFYSA-N 2 1 315.417 2.784 20 0 DFADMP Brc1cccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000368843141 429897924 /nfs/dbraw/zinc/89/79/24/429897924.db2.gz CIRLKDNVKCXOJI-ZDUSSCGKSA-N 2 1 306.207 2.750 20 0 DFADMP Cc1cccn2c(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)cnc12 ZINC000369198733 429918974 /nfs/dbraw/zinc/91/89/74/429918974.db2.gz PNSCQIXAPOZTDW-UHFFFAOYSA-N 2 1 312.461 2.951 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000558348677 429967769 /nfs/dbraw/zinc/96/77/69/429967769.db2.gz CMJKTDNYNVWJEK-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754691 429970327 /nfs/dbraw/zinc/97/03/27/429970327.db2.gz DMOVFRBBDKWXAM-AEFFLSMTSA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+]1CCC2(CC[N@H+]([C@H]3CCN(Cc4ccccc4)C3)C2)CC1 ZINC000639754566 429970633 /nfs/dbraw/zinc/97/06/33/429970633.db2.gz CGQMJWAYQXPVTO-IBGZPJMESA-N 2 1 313.489 2.679 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759898 429971843 /nfs/dbraw/zinc/97/18/43/429971843.db2.gz NARQXRGLQXXMNO-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639760426 429972417 /nfs/dbraw/zinc/97/24/17/429972417.db2.gz XLECXCAUFBETKG-UHFFFAOYSA-N 2 1 318.461 2.882 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639762070 429972722 /nfs/dbraw/zinc/97/27/22/429972722.db2.gz JYZSWTGHAAXIJC-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639760388 429973244 /nfs/dbraw/zinc/97/32/44/429973244.db2.gz WPAKBQHJZQDVGE-MRXNPFEDSA-N 2 1 315.461 2.740 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000573724231 429976275 /nfs/dbraw/zinc/97/62/75/429976275.db2.gz XHHPGADICDIAJL-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000573741398 429978033 /nfs/dbraw/zinc/97/80/33/429978033.db2.gz IBUMLCHQJKIWEG-LMRVLLHPSA-N 2 1 319.415 2.651 20 0 DFADMP C[C@@H]1C[N@H+](CCCc2cncn2C)C[C@@H](c2ccsc2)O1 ZINC000573217004 429936728 /nfs/dbraw/zinc/93/67/28/429936728.db2.gz WJHUOQRJWWAMNR-CJNGLKHVSA-N 2 1 305.447 2.876 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000369397025 429937728 /nfs/dbraw/zinc/93/77/28/429937728.db2.gz CQUKWMXSRGMYSD-HXUWFJFHSA-N 2 1 315.505 2.720 20 0 DFADMP O[C@@]1(C[NH2+]C2(C3CCC3)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639671046 429942024 /nfs/dbraw/zinc/94/20/24/429942024.db2.gz KNKNVTBKCHENDR-LJQANCHMSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@@]1(C[NH2+]C2(C3CCC3)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639671046 429942029 /nfs/dbraw/zinc/94/20/29/429942029.db2.gz KNKNVTBKCHENDR-LJQANCHMSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000639683680 429946042 /nfs/dbraw/zinc/94/60/42/429946042.db2.gz LGBSQVWMQIRQEI-GOSISDBHSA-N 2 1 303.450 2.535 20 0 DFADMP COCc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639683712 429947287 /nfs/dbraw/zinc/94/72/87/429947287.db2.gz MQALXTGLZJBLOR-UHFFFAOYSA-N 2 1 311.429 2.940 20 0 DFADMP CC[N@@H+](CCc1nccs1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573379445 429948621 /nfs/dbraw/zinc/94/86/21/429948621.db2.gz IEMSBBQCXGRMSA-UHFFFAOYSA-N 2 1 301.459 2.853 20 0 DFADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2O1 ZINC000574323065 430032094 /nfs/dbraw/zinc/03/20/94/430032094.db2.gz XYFYHRDKMLLNDW-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)ccc2O1 ZINC000574323065 430032097 /nfs/dbraw/zinc/03/20/97/430032097.db2.gz XYFYHRDKMLLNDW-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574519210 430049248 /nfs/dbraw/zinc/04/92/48/430049248.db2.gz IRYHZDAHVMUDFK-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000574519210 430049255 /nfs/dbraw/zinc/04/92/55/430049255.db2.gz IRYHZDAHVMUDFK-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000639984115 430043918 /nfs/dbraw/zinc/04/39/18/430043918.db2.gz PLOHLOUIQUGBQT-GOSISDBHSA-N 2 1 320.452 2.679 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987082 430045734 /nfs/dbraw/zinc/04/57/34/430045734.db2.gz WCQVCPFCXOZJLZ-UHFFFAOYSA-N 2 1 309.498 2.633 20 0 DFADMP CCCCOC[C@@H](O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987085 430046454 /nfs/dbraw/zinc/04/64/54/430046454.db2.gz WEYNMGKHZFKZDD-KRWDZBQOSA-N 2 1 312.498 2.504 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCC(=O)N2 ZINC000573915587 429994453 /nfs/dbraw/zinc/99/44/53/429994453.db2.gz AXAHXPBYXGYQEE-FCLXEUQJSA-N 2 1 313.445 2.847 20 0 DFADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000573979216 429999438 /nfs/dbraw/zinc/99/94/38/429999438.db2.gz JJNSUCWSJSWXAL-GDBMZVCRSA-N 2 1 321.465 2.795 20 0 DFADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000573979216 429999442 /nfs/dbraw/zinc/99/94/42/429999442.db2.gz JJNSUCWSJSWXAL-GDBMZVCRSA-N 2 1 321.465 2.795 20 0 DFADMP CCC[C@]1(CO)CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000574002275 430000280 /nfs/dbraw/zinc/00/02/80/430000280.db2.gz ADSZIZLBVXGVMZ-SFHVURJKSA-N 2 1 314.433 2.560 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639918785 430022300 /nfs/dbraw/zinc/02/23/00/430022300.db2.gz QIWUYTMJTIHERH-OAHLLOKOSA-N 2 1 311.788 2.697 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919297 430022666 /nfs/dbraw/zinc/02/26/66/430022666.db2.gz QFYGAPPCXPLMGL-GJZGRUSLSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919297 430022669 /nfs/dbraw/zinc/02/26/69/430022669.db2.gz QFYGAPPCXPLMGL-GJZGRUSLSA-N 2 1 316.367 2.813 20 0 DFADMP C[C@]1(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C[C@H]2C[C@H]2C1 ZINC000634721970 430089571 /nfs/dbraw/zinc/08/95/71/430089571.db2.gz IAAKEXXPSJXZTO-FUMNGEBKSA-N 2 1 314.473 2.649 20 0 DFADMP C[C@]1(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C[C@H]2C[C@H]2C1 ZINC000634721970 430089576 /nfs/dbraw/zinc/08/95/76/430089576.db2.gz IAAKEXXPSJXZTO-FUMNGEBKSA-N 2 1 314.473 2.649 20 0 DFADMP Cc1ncc([C@H](C)NC[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000634726943 430091077 /nfs/dbraw/zinc/09/10/77/430091077.db2.gz GSTUSEAIZZMXLF-BBRMVZONSA-N 2 1 319.474 2.595 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C[C@H](O)CN(C)Cc2ccccc2)s1 ZINC000634726943 430091082 /nfs/dbraw/zinc/09/10/82/430091082.db2.gz GSTUSEAIZZMXLF-BBRMVZONSA-N 2 1 319.474 2.595 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000530220950 430105803 /nfs/dbraw/zinc/10/58/03/430105803.db2.gz KVKFFXNCSDPGOZ-XYJFISCASA-N 2 1 306.425 2.835 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000530220948 430106300 /nfs/dbraw/zinc/10/63/00/430106300.db2.gz KVKFFXNCSDPGOZ-SOLBZPMBSA-N 2 1 306.425 2.835 20 0 DFADMP COc1ccc(C[N@@H+](CCn2ccnc2)[C@@H](C)CCCO)cc1 ZINC000640016550 430055490 /nfs/dbraw/zinc/05/54/90/430055490.db2.gz NKKDZUJXPUBFQM-INIZCTEOSA-N 2 1 317.433 2.555 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000640016838 430055718 /nfs/dbraw/zinc/05/57/18/430055718.db2.gz DOZRFMQDDFNYPL-UHFFFAOYSA-N 2 1 321.440 2.961 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000640018394 430056066 /nfs/dbraw/zinc/05/60/66/430056066.db2.gz ZDEWUYVBBWCEHJ-UHFFFAOYSA-N 2 1 314.477 2.922 20 0 DFADMP C[NH+](C)CCCCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000560597855 430057287 /nfs/dbraw/zinc/05/72/87/430057287.db2.gz NXCPVWVMRDSCKE-UHFFFAOYSA-N 2 1 323.525 2.833 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCOC(C)(C)C3)C2)nc(C)[nH+]1 ZINC000634681881 430074820 /nfs/dbraw/zinc/07/48/20/430074820.db2.gz AEBROEJPCLIABR-JKSUJKDBSA-N 2 1 318.465 2.609 20 0 DFADMP Cn1ccnc1[C@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1F ZINC000581125286 430179780 /nfs/dbraw/zinc/17/97/80/430179780.db2.gz HUNFFLXZKHGSBR-MQBCKMQZSA-N 2 1 316.424 2.756 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H](C)[C@H]3CCC[NH3+])c2c1C ZINC000634811377 430119339 /nfs/dbraw/zinc/11/93/39/430119339.db2.gz COARRANYCGQPTK-BXUZGUMPSA-N 2 1 301.438 2.919 20 0 DFADMP CC[C@@H](C)N(C)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637938075 430178174 /nfs/dbraw/zinc/17/81/74/430178174.db2.gz XSPSJFBGMPFWND-MRXNPFEDSA-N 2 1 317.477 2.627 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991067 430185337 /nfs/dbraw/zinc/18/53/37/430185337.db2.gz OGGWWSMFTDOGJJ-OAHLLOKOSA-N 2 1 310.445 2.762 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C1 ZINC000634991067 430185339 /nfs/dbraw/zinc/18/53/39/430185339.db2.gz OGGWWSMFTDOGJJ-OAHLLOKOSA-N 2 1 310.445 2.762 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684188 277045830 /nfs/dbraw/zinc/04/58/30/277045830.db2.gz AMMLDWQWFGDERW-KBPBESRZSA-N 2 1 308.388 2.640 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684188 277045831 /nfs/dbraw/zinc/04/58/31/277045831.db2.gz AMMLDWQWFGDERW-KBPBESRZSA-N 2 1 308.388 2.640 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684188 277045832 /nfs/dbraw/zinc/04/58/32/277045832.db2.gz AMMLDWQWFGDERW-KBPBESRZSA-N 2 1 308.388 2.640 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@](O)(C(F)(F)F)CC1 ZINC000314684188 277045833 /nfs/dbraw/zinc/04/58/33/277045833.db2.gz AMMLDWQWFGDERW-KBPBESRZSA-N 2 1 308.388 2.640 20 0 DFADMP C[N@@H+](Cc1cccc(-c2ccc(N)cc2)n1)[C@@H]1CCC[NH2+]CC1 ZINC000634994148 430186662 /nfs/dbraw/zinc/18/66/62/430186662.db2.gz SFSBXHZFEYSLCG-GOSISDBHSA-N 2 1 310.445 2.905 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(-c2ccc(N)cc2)n1)[C@@H]1CCC[NH2+]C1 ZINC000634995194 430187185 /nfs/dbraw/zinc/18/71/85/430187185.db2.gz YAASKNKEZCCVCO-GDBMZVCRSA-N 2 1 310.445 2.809 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000634999761 430188631 /nfs/dbraw/zinc/18/86/31/430188631.db2.gz YSHNQNNPDICUQP-CMPLNLGQSA-N 2 1 320.330 2.793 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000634999761 430188640 /nfs/dbraw/zinc/18/86/40/430188640.db2.gz YSHNQNNPDICUQP-CMPLNLGQSA-N 2 1 320.330 2.793 20 0 DFADMP CCC[C@H](C[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000635000245 430189342 /nfs/dbraw/zinc/18/93/42/430189342.db2.gz KCUKAYHQGYWTSE-SJLPKXTDSA-N 2 1 313.449 2.568 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000634999219 430190497 /nfs/dbraw/zinc/19/04/97/430190497.db2.gz RIMCCVDUKFHTLS-AAEUAGOBSA-N 2 1 312.841 2.774 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc(Cl)c1OC ZINC000634999219 430190502 /nfs/dbraw/zinc/19/05/02/430190502.db2.gz RIMCCVDUKFHTLS-AAEUAGOBSA-N 2 1 312.841 2.774 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999241 430190801 /nfs/dbraw/zinc/19/08/01/430190801.db2.gz RLGFVUYDXYYXRY-KBXCAEBGSA-N 2 1 312.461 2.575 20 0 DFADMP CC[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635003755 430191800 /nfs/dbraw/zinc/19/18/00/430191800.db2.gz LIERFKPBDUBMAV-LEAZDLGRSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H](C(=O)N1CCCCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532321 430192092 /nfs/dbraw/zinc/19/20/92/430192092.db2.gz WZARJCMACICUAZ-SFHVURJKSA-N 2 1 323.525 2.975 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532821 430192603 /nfs/dbraw/zinc/19/26/03/430192603.db2.gz WLHGIVWPABOEFG-GOSISDBHSA-N 2 1 323.525 2.975 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005634 430194224 /nfs/dbraw/zinc/19/42/24/430194224.db2.gz VUQKECUSDZVZFN-YMPIPDKKSA-N 3 1 315.505 2.862 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005634 430194234 /nfs/dbraw/zinc/19/42/34/430194234.db2.gz VUQKECUSDZVZFN-YMPIPDKKSA-N 2 1 315.505 2.862 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000358247852 277184209 /nfs/dbraw/zinc/18/42/09/277184209.db2.gz ILWQBKYNYBCUPM-UAGQMJEPSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000358247852 277184210 /nfs/dbraw/zinc/18/42/10/277184210.db2.gz ILWQBKYNYBCUPM-UAGQMJEPSA-N 2 1 308.853 2.632 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000635011527 430196682 /nfs/dbraw/zinc/19/66/82/430196682.db2.gz GCBZIFJJCQMJTK-NEWSRXKRSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+]CC[C@H]3C)C2)cc1 ZINC000635011527 430196687 /nfs/dbraw/zinc/19/66/87/430196687.db2.gz GCBZIFJJCQMJTK-NEWSRXKRSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000635013009 430197309 /nfs/dbraw/zinc/19/73/09/430197309.db2.gz PVLLVDRAGONFQS-FHWLQOOXSA-N 2 1 301.478 2.819 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000635013009 430197312 /nfs/dbraw/zinc/19/73/12/430197312.db2.gz PVLLVDRAGONFQS-FHWLQOOXSA-N 2 1 301.478 2.819 20 0 DFADMP CC(C)[C@H]1CN([C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000635014136 430197381 /nfs/dbraw/zinc/19/73/81/430197381.db2.gz YHHXHDCESBXJRH-GBESFXJTSA-N 2 1 301.478 2.752 20 0 DFADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@@H](c1nnc[nH]1)C1CCCCC1 ZINC000638029119 430211696 /nfs/dbraw/zinc/21/16/96/430211696.db2.gz LYIPEUFUHLRUSY-MRXNPFEDSA-N 2 1 305.470 2.700 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2ccccc2)n1 ZINC000581607723 430224300 /nfs/dbraw/zinc/22/43/00/430224300.db2.gz RAODWXZWBSYLOA-IBGZPJMESA-N 2 1 310.445 2.663 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000638029650 430212941 /nfs/dbraw/zinc/21/29/41/430212941.db2.gz RANMCDIRBGPVPX-GOSISDBHSA-N 2 1 301.478 2.787 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488382 430215151 /nfs/dbraw/zinc/21/51/51/430215151.db2.gz FTNKJNZSCCLHTF-YJBOKZPZSA-N 2 1 320.477 2.608 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488382 430215153 /nfs/dbraw/zinc/21/51/53/430215153.db2.gz FTNKJNZSCCLHTF-YJBOKZPZSA-N 2 1 320.477 2.608 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488382 430215156 /nfs/dbraw/zinc/21/51/56/430215156.db2.gz FTNKJNZSCCLHTF-YJBOKZPZSA-N 2 1 320.477 2.608 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488382 430215158 /nfs/dbraw/zinc/21/51/58/430215158.db2.gz FTNKJNZSCCLHTF-YJBOKZPZSA-N 2 1 320.477 2.608 20 0 DFADMP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000566414677 430258681 /nfs/dbraw/zinc/25/86/81/430258681.db2.gz SJWFODYNTVZTHU-RCDICMHDSA-N 2 1 319.474 2.783 20 0 DFADMP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566414677 430258684 /nfs/dbraw/zinc/25/86/84/430258684.db2.gz SJWFODYNTVZTHU-RCDICMHDSA-N 2 1 319.474 2.783 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3(C)CCCC3)CC2)CC1 ZINC000566435475 430262940 /nfs/dbraw/zinc/26/29/40/430262940.db2.gz JLXISYJFDOTXKL-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582061939 430265450 /nfs/dbraw/zinc/26/54/50/430265450.db2.gz GZYOCXHTDVCKBX-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582061939 430265455 /nfs/dbraw/zinc/26/54/55/430265455.db2.gz GZYOCXHTDVCKBX-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)c(=O)[nH]1 ZINC000544370735 430279612 /nfs/dbraw/zinc/27/96/12/430279612.db2.gz IZNYNFIYJNYJFW-SUMWQHHRSA-N 2 1 318.465 2.623 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635189065 430226186 /nfs/dbraw/zinc/22/61/86/430226186.db2.gz OKWIOHUXLCJWNF-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)CC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000638080041 430228172 /nfs/dbraw/zinc/22/81/72/430228172.db2.gz SALINUIOIJOUEK-GOSISDBHSA-N 2 1 319.493 2.907 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000638080043 430228510 /nfs/dbraw/zinc/22/85/10/430228510.db2.gz SALINUIOIJOUEK-SFHVURJKSA-N 2 1 319.493 2.907 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)CC2 ZINC000565829463 430229974 /nfs/dbraw/zinc/22/99/74/430229974.db2.gz RFXSZDQZVKJXFJ-PKOBYXMFSA-N 2 1 302.462 2.842 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)CC2 ZINC000565829463 430229980 /nfs/dbraw/zinc/22/99/80/430229980.db2.gz RFXSZDQZVKJXFJ-PKOBYXMFSA-N 2 1 302.462 2.842 20 0 DFADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000581666578 430231222 /nfs/dbraw/zinc/23/12/22/430231222.db2.gz NMQNDSQXJWMIJH-LJQANCHMSA-N 2 1 324.472 2.749 20 0 DFADMP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000581666578 430231226 /nfs/dbraw/zinc/23/12/26/430231226.db2.gz NMQNDSQXJWMIJH-LJQANCHMSA-N 2 1 324.472 2.749 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000581734053 430236412 /nfs/dbraw/zinc/23/64/12/430236412.db2.gz ZBCICXCYISRXDG-UHFFFAOYSA-N 2 1 324.472 2.880 20 0 DFADMP c1cnc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2n1 ZINC000638122003 430240714 /nfs/dbraw/zinc/24/07/14/430240714.db2.gz KALUKRKRXRRUBF-KRWDZBQOSA-N 2 1 310.445 2.938 20 0 DFADMP c1cnc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc2n1 ZINC000638122003 430240716 /nfs/dbraw/zinc/24/07/16/430240716.db2.gz KALUKRKRXRRUBF-KRWDZBQOSA-N 2 1 310.445 2.938 20 0 DFADMP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638251445 430285729 /nfs/dbraw/zinc/28/57/29/430285729.db2.gz HVUNJXUWBRLWSD-CZUORRHYSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@H](CCC[NH3+])NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638251445 430285733 /nfs/dbraw/zinc/28/57/33/430285733.db2.gz HVUNJXUWBRLWSD-CZUORRHYSA-N 2 1 323.868 2.548 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@@]2(OC)CCOC2)CC1)CC1CC1 ZINC000638277030 430291667 /nfs/dbraw/zinc/29/16/67/430291667.db2.gz XASNHVSKEVURQF-IBGZPJMESA-N 2 1 324.509 2.626 20 0 DFADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000638299931 430297877 /nfs/dbraw/zinc/29/78/77/430297877.db2.gz FOPZCCVVSPPGJR-HOTGVXAUSA-N 2 1 309.498 2.678 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)c1 ZINC000638304937 430298476 /nfs/dbraw/zinc/29/84/76/430298476.db2.gz NGSPKKDRXNWCSV-IDHPPYADSA-N 2 1 300.446 2.655 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000638304265 430299712 /nfs/dbraw/zinc/29/97/12/430299712.db2.gz ZHHGNMFPPLMPHB-PBHICJAKSA-N 2 1 306.475 2.502 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000638307278 430300985 /nfs/dbraw/zinc/30/09/85/430300985.db2.gz IXSWWRTZKSBZPO-ZDUSSCGKSA-N 2 1 324.440 2.720 20 0 DFADMP C[N@@H+](CC(=O)NCCCCC[NH+]1CCCCC1)CC(C)(C)C ZINC000635547439 430303822 /nfs/dbraw/zinc/30/38/22/430303822.db2.gz HSCMLWAMBGCHFC-UHFFFAOYSA-N 2 1 311.514 2.737 20 0 DFADMP CC[C@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)[NH+]1CCCC1 ZINC000638354476 430313480 /nfs/dbraw/zinc/31/34/80/430313480.db2.gz NUICVSAZOFOPJT-ZWKOTPCHSA-N 2 1 301.478 2.977 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000568103738 430319368 /nfs/dbraw/zinc/31/93/68/430319368.db2.gz IYPFJCPNGVSHIV-WBVHZDCISA-N 2 1 311.429 2.972 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638371950 430320050 /nfs/dbraw/zinc/32/00/50/430320050.db2.gz UXVUPDHHTINONZ-HEHGZKQESA-N 2 1 323.868 2.546 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638371950 430320052 /nfs/dbraw/zinc/32/00/52/430320052.db2.gz UXVUPDHHTINONZ-HEHGZKQESA-N 2 1 323.868 2.546 20 0 DFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000568167571 430322184 /nfs/dbraw/zinc/32/21/84/430322184.db2.gz JCRTZNPGTGGVKY-ZWKOTPCHSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000568167571 430322189 /nfs/dbraw/zinc/32/21/89/430322189.db2.gz JCRTZNPGTGGVKY-ZWKOTPCHSA-N 2 1 322.493 2.611 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000568191796 430328461 /nfs/dbraw/zinc/32/84/61/430328461.db2.gz SULDSZOCBVWJHX-HZPDHXFCSA-N 2 1 317.477 2.572 20 0 DFADMP C[C@H](CO)[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638411608 430332838 /nfs/dbraw/zinc/33/28/38/430332838.db2.gz CSNHNOLLYNMCJV-APWZRJJASA-N 2 1 304.478 2.895 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545933541 430335997 /nfs/dbraw/zinc/33/59/97/430335997.db2.gz YXBDBEWLBCJSCC-CABCVRRESA-N 2 1 322.415 2.886 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545933541 430336003 /nfs/dbraw/zinc/33/60/03/430336003.db2.gz YXBDBEWLBCJSCC-CABCVRRESA-N 2 1 322.415 2.886 20 0 DFADMP Cc1[nH+]ccn1CCCCn1cc(C[C@@H]([NH3+])c2ccccc2)nn1 ZINC000641150562 430343803 /nfs/dbraw/zinc/34/38/03/430343803.db2.gz LXASOCZVPMSMRQ-GOSISDBHSA-N 2 1 324.432 2.506 20 0 DFADMP CC[N@H+]1CCC[C@H](CNCc2cc(OC)c(O)cc2Cl)C1 ZINC000638450356 430345750 /nfs/dbraw/zinc/34/57/50/430345750.db2.gz NQIJRMXGJRIYGB-GFCCVEGCSA-N 2 1 312.841 2.876 20 0 DFADMP CC[N@H+]1CCC[C@@H](CNCc2ccccc2OCCCCO)C1 ZINC000638451946 430347150 /nfs/dbraw/zinc/34/71/50/430347150.db2.gz SGAZBHACYKHZMD-KRWDZBQOSA-N 2 1 320.477 2.659 20 0 DFADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000638451946 430347155 /nfs/dbraw/zinc/34/71/55/430347155.db2.gz SGAZBHACYKHZMD-KRWDZBQOSA-N 2 1 320.477 2.659 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000638451946 430347157 /nfs/dbraw/zinc/34/71/57/430347157.db2.gz SGAZBHACYKHZMD-KRWDZBQOSA-N 2 1 320.477 2.659 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)C1 ZINC000546573894 430355349 /nfs/dbraw/zinc/35/53/49/430355349.db2.gz JTVUIBRBCCUZMD-PMACEKPBSA-N 2 1 316.489 2.834 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)C1 ZINC000546573894 430355351 /nfs/dbraw/zinc/35/53/51/430355351.db2.gz JTVUIBRBCCUZMD-PMACEKPBSA-N 2 1 316.489 2.834 20 0 DFADMP CC(C)C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+](C)C ZINC000547732867 430416905 /nfs/dbraw/zinc/41/69/05/430416905.db2.gz IPPHJXPMFZLRJN-KRWDZBQOSA-N 2 1 311.514 2.734 20 0 DFADMP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000635727190 430359128 /nfs/dbraw/zinc/35/91/28/430359128.db2.gz HZIHRBHJTSPCEK-ABHNRTSZSA-N 2 1 321.509 2.630 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000583123668 430364430 /nfs/dbraw/zinc/36/44/30/430364430.db2.gz SFKRRVDQQIHIJI-HPFXQQBRSA-N 2 1 302.466 2.663 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000583123668 430364433 /nfs/dbraw/zinc/36/44/33/430364433.db2.gz SFKRRVDQQIHIJI-HPFXQQBRSA-N 2 1 302.466 2.663 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638522095 430367279 /nfs/dbraw/zinc/36/72/79/430367279.db2.gz XAVLUODCPKGBTJ-RTBURBONSA-N 2 1 302.462 2.710 20 0 DFADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568531953 430368476 /nfs/dbraw/zinc/36/84/76/430368476.db2.gz UUJPJZIAZFRQNQ-MAUKXSAKSA-N 2 1 310.445 2.958 20 0 DFADMP Cc1ncncc1[C@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568531953 430368481 /nfs/dbraw/zinc/36/84/81/430368481.db2.gz UUJPJZIAZFRQNQ-MAUKXSAKSA-N 2 1 310.445 2.958 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]CC2(C)CC2)CC1 ZINC000568597544 430373421 /nfs/dbraw/zinc/37/34/21/430373421.db2.gz IETXYGZKJLNTHS-UHFFFAOYSA-N 2 1 301.478 2.714 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000568626897 430375813 /nfs/dbraw/zinc/37/58/13/430375813.db2.gz MEYYTIOXEXBERD-SFHVURJKSA-N 2 1 310.445 2.670 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000568626897 430375815 /nfs/dbraw/zinc/37/58/15/430375815.db2.gz MEYYTIOXEXBERD-SFHVURJKSA-N 2 1 310.445 2.670 20 0 DFADMP C[N@@H+](CCC(=O)NCc1ccc2c[nH+]cn2c1)C1CCCCC1 ZINC000568722505 430384638 /nfs/dbraw/zinc/38/46/38/430384638.db2.gz BHYSVISFCHVZGO-UHFFFAOYSA-N 2 1 314.433 2.605 20 0 DFADMP CC[C@H](O)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000583389026 430389958 /nfs/dbraw/zinc/38/99/58/430389958.db2.gz VIKAYXJDCASBLN-SFHVURJKSA-N 2 1 301.434 2.626 20 0 DFADMP CC[C@H](O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000583389026 430389962 /nfs/dbraw/zinc/38/99/62/430389962.db2.gz VIKAYXJDCASBLN-SFHVURJKSA-N 2 1 301.434 2.626 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000568770009 430391920 /nfs/dbraw/zinc/39/19/20/430391920.db2.gz ZPTOHBKMNUKPLZ-KCUHQSDYSA-N 2 1 314.473 2.922 20 0 DFADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000568770012 430392066 /nfs/dbraw/zinc/39/20/66/430392066.db2.gz ZPTOHBKMNUKPLZ-YGWPLHOASA-N 2 1 314.473 2.922 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661476 430437314 /nfs/dbraw/zinc/43/73/14/430437314.db2.gz NEUPLPNWKJAIAT-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000583930014 430442754 /nfs/dbraw/zinc/44/27/54/430442754.db2.gz MTOAKGLAGJZTND-UHFFFAOYSA-N 2 1 318.396 2.729 20 0 DFADMP C[NH+](C)[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548064017 430443954 /nfs/dbraw/zinc/44/39/54/430443954.db2.gz BRBDFGUDWKBBAF-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469254 430457156 /nfs/dbraw/zinc/45/71/56/430457156.db2.gz RUJRFQUXAGPMAH-FHWLQOOXSA-N 2 1 304.478 2.876 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469254 430457161 /nfs/dbraw/zinc/45/71/61/430457161.db2.gz RUJRFQUXAGPMAH-FHWLQOOXSA-N 2 1 304.478 2.876 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469254 430457171 /nfs/dbraw/zinc/45/71/71/430457171.db2.gz RUJRFQUXAGPMAH-FHWLQOOXSA-N 2 1 304.478 2.876 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000584063985 430457613 /nfs/dbraw/zinc/45/76/13/430457613.db2.gz KKMHNGBKZGONMB-HKUYNNGSSA-N 2 1 301.478 2.819 20 0 DFADMP C[C@H](C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2)C[NH+](C)C ZINC000641756750 430464210 /nfs/dbraw/zinc/46/42/10/430464210.db2.gz OTWFDGBXDYTVTO-LLVKDONJSA-N 2 1 318.387 2.526 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000641772506 430469304 /nfs/dbraw/zinc/46/93/04/430469304.db2.gz PLKRJCICIOCDEQ-OGZRUICASA-N 2 1 312.404 2.660 20 0 DFADMP CC(C)Cn1ccnc1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548389573 430469879 /nfs/dbraw/zinc/46/98/79/430469879.db2.gz LGAXNGOYWUSGRN-UHFFFAOYSA-N 2 1 320.481 2.810 20 0 DFADMP CC(C)(C)c1ccc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641803148 430475442 /nfs/dbraw/zinc/47/54/42/430475442.db2.gz ALGWITQGHAWNHD-LSDHHAIUSA-N 2 1 303.450 2.638 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641802883 430476961 /nfs/dbraw/zinc/47/69/61/430476961.db2.gz BSMXIWTXKQNUSZ-WRFANHODSA-N 2 1 317.477 2.530 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cc(Cl)ccc1Cl ZINC000641806951 430478530 /nfs/dbraw/zinc/47/85/30/430478530.db2.gz SRDPEKPALPJIHS-VXGBXAGGSA-N 2 1 316.232 2.647 20 0 DFADMP Cc1cc(C)c(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641805528 430478766 /nfs/dbraw/zinc/47/87/66/430478766.db2.gz NKJDQAAZDATYAV-CHWSQXEVSA-N 2 1 309.841 2.611 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1 ZINC000641804309 430479128 /nfs/dbraw/zinc/47/91/28/430479128.db2.gz HLXHXISVOUVKSO-RRFJBIMHSA-N 2 1 303.450 2.654 20 0 DFADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1C ZINC000641810269 430479590 /nfs/dbraw/zinc/47/95/90/430479590.db2.gz UXFWKWFFJCZMPC-IIAWOOMASA-N 2 1 314.433 2.727 20 0 DFADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1C ZINC000641810269 430479595 /nfs/dbraw/zinc/47/95/95/430479595.db2.gz UXFWKWFFJCZMPC-IIAWOOMASA-N 2 1 314.433 2.727 20 0 DFADMP CO[C@H](C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000638725670 430418828 /nfs/dbraw/zinc/41/88/28/430418828.db2.gz HEIRFMXWRIYNLX-YTQUADARSA-N 2 1 320.477 2.538 20 0 DFADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583752552 430425649 /nfs/dbraw/zinc/42/56/49/430425649.db2.gz PMSCOIPBPXAQDF-KZNAEPCWSA-N 2 1 314.473 2.933 20 0 DFADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583752552 430425650 /nfs/dbraw/zinc/42/56/50/430425650.db2.gz PMSCOIPBPXAQDF-KZNAEPCWSA-N 2 1 314.473 2.933 20 0 DFADMP CC[C@](C)(O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000569172243 430429381 /nfs/dbraw/zinc/42/93/81/430429381.db2.gz UQILNFCWEFYRMA-WBVHZDCISA-N 2 1 310.507 2.971 20 0 DFADMP CC[C@](C)(O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000569172243 430429385 /nfs/dbraw/zinc/42/93/85/430429385.db2.gz UQILNFCWEFYRMA-WBVHZDCISA-N 2 1 310.507 2.971 20 0 DFADMP Cc1nn(-c2ccncc2)cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000569200178 430431346 /nfs/dbraw/zinc/43/13/46/430431346.db2.gz UOYPBUJWHVHWNV-CQSZACIVSA-N 2 1 321.428 2.885 20 0 DFADMP CC(C)[NH+](CCCC[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000569755220 430483485 /nfs/dbraw/zinc/48/34/85/430483485.db2.gz VQNMWASAHWKYSE-HDICACEKSA-N 2 1 312.498 2.765 20 0 DFADMP CC(C)[NH+](CCCC[N@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000569755220 430483486 /nfs/dbraw/zinc/48/34/86/430483486.db2.gz VQNMWASAHWKYSE-HDICACEKSA-N 2 1 312.498 2.765 20 0 DFADMP CC(C)[NH+](CCCC[N@@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000569755220 430483489 /nfs/dbraw/zinc/48/34/89/430483489.db2.gz VQNMWASAHWKYSE-HDICACEKSA-N 2 1 312.498 2.765 20 0 DFADMP CC(C)[NH+](CCCC[N@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000569755221 430483640 /nfs/dbraw/zinc/48/36/40/430483640.db2.gz VQNMWASAHWKYSE-QZTJIDSGSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969363 430483978 /nfs/dbraw/zinc/48/39/78/430483978.db2.gz GKTWMSFVAORVBW-QZWWFDLISA-N 2 1 321.509 2.676 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000569832402 430490822 /nfs/dbraw/zinc/49/08/22/430490822.db2.gz YAGKELRFMASNDV-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000569832402 430490827 /nfs/dbraw/zinc/49/08/27/430490827.db2.gz YAGKELRFMASNDV-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000569832402 430490831 /nfs/dbraw/zinc/49/08/31/430490831.db2.gz YAGKELRFMASNDV-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP c1cc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)cs1 ZINC000548721520 430493763 /nfs/dbraw/zinc/49/37/63/430493763.db2.gz NJHWWRZTNZZMDW-UHFFFAOYSA-N 2 1 307.507 2.742 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000548721256 430495321 /nfs/dbraw/zinc/49/53/21/430495321.db2.gz LBKMTCIACUPXIM-JKSUJKDBSA-N 2 1 309.498 2.582 20 0 DFADMP [NH3+][C@@H]1CC[C@@H](C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000570329977 430532853 /nfs/dbraw/zinc/53/28/53/430532853.db2.gz QLKGJFCNZVJREO-CHWSQXEVSA-N 2 1 322.478 2.585 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000549822690 430533201 /nfs/dbraw/zinc/53/32/01/430533201.db2.gz WNGNOAIPVXJVEY-MOPGFXCFSA-N 2 1 305.510 2.977 20 0 DFADMP COc1cccc(C)c1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000639125285 430533428 /nfs/dbraw/zinc/53/34/28/430533428.db2.gz ZTOJCMXSFYHMOM-MRXNPFEDSA-N 2 1 306.450 2.594 20 0 DFADMP COc1cccc(C)c1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000639125285 430533432 /nfs/dbraw/zinc/53/34/32/430533432.db2.gz ZTOJCMXSFYHMOM-MRXNPFEDSA-N 2 1 306.450 2.594 20 0 DFADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000639125259 430533571 /nfs/dbraw/zinc/53/35/71/430533571.db2.gz YYSVINWUIPQWIS-SJLPKXTDSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133001 430536916 /nfs/dbraw/zinc/53/69/16/430536916.db2.gz FZXYALXXNRKXGI-NUJGCVRESA-N 2 1 321.509 2.820 20 0 DFADMP O=C(CCN[C@H]1CC[N@H+]2CCCC[C@@H]12)Nc1cccc(Cl)c1 ZINC000570391240 430539975 /nfs/dbraw/zinc/53/99/75/430539975.db2.gz PLHSMIZOOAFJEG-HOTGVXAUSA-N 2 1 321.852 2.885 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)Nc1cccc(Cl)c1 ZINC000570391240 430539979 /nfs/dbraw/zinc/53/99/79/430539979.db2.gz PLHSMIZOOAFJEG-HOTGVXAUSA-N 2 1 321.852 2.885 20 0 DFADMP CC1(C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000643250617 430566704 /nfs/dbraw/zinc/56/67/04/430566704.db2.gz KVAVDYHBMDXUDK-UHFFFAOYSA-N 2 1 318.461 2.520 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000643250617 430566706 /nfs/dbraw/zinc/56/67/06/430566706.db2.gz KVAVDYHBMDXUDK-UHFFFAOYSA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643251892 430568007 /nfs/dbraw/zinc/56/80/07/430568007.db2.gz RXDSYUGWCWQXPD-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643251892 430568010 /nfs/dbraw/zinc/56/80/10/430568010.db2.gz RXDSYUGWCWQXPD-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CC1(C)CCC[N@@H+]1CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639243011 430586611 /nfs/dbraw/zinc/58/66/11/430586611.db2.gz SJJYMSSNPSNUJF-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP CC1(C)CCC[N@H+]1CC[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000639243011 430586616 /nfs/dbraw/zinc/58/66/16/430586616.db2.gz SJJYMSSNPSNUJF-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639249665 430587757 /nfs/dbraw/zinc/58/77/57/430587757.db2.gz KVZOMVPITHTFQM-JCHJZTRSSA-N 2 1 300.446 2.858 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639249665 430587761 /nfs/dbraw/zinc/58/77/61/430587761.db2.gz KVZOMVPITHTFQM-JCHJZTRSSA-N 2 1 300.446 2.858 20 0 DFADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000643453684 430602515 /nfs/dbraw/zinc/60/25/15/430602515.db2.gz RJZBNOXIWFLRIL-OALUTQOASA-N 3 1 301.478 2.801 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554725583 430650409 /nfs/dbraw/zinc/65/04/09/430650409.db2.gz WLWNROSKDPFXDX-KNJMJIDISA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000554725583 430650411 /nfs/dbraw/zinc/65/04/11/430650411.db2.gz WLWNROSKDPFXDX-KNJMJIDISA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000571753780 430650952 /nfs/dbraw/zinc/65/09/52/430650952.db2.gz FFBHELPDBJPSAE-KXBFYZLASA-N 2 1 317.477 2.691 20 0 DFADMP Cc1cnc(CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)c1 ZINC000571758781 430651225 /nfs/dbraw/zinc/65/12/25/430651225.db2.gz WESYKYWIKUDVAC-GOSISDBHSA-N 2 1 301.478 2.905 20 0 DFADMP Cc1cnc(CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000571758781 430651229 /nfs/dbraw/zinc/65/12/29/430651229.db2.gz WESYKYWIKUDVAC-GOSISDBHSA-N 2 1 301.478 2.905 20 0 DFADMP Cc1cnc(CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)c1 ZINC000571758781 430651232 /nfs/dbraw/zinc/65/12/32/430651232.db2.gz WESYKYWIKUDVAC-GOSISDBHSA-N 2 1 301.478 2.905 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000554885999 430653667 /nfs/dbraw/zinc/65/36/67/430653667.db2.gz JHNBYMIEUWTTAE-KBXCAEBGSA-N 2 1 316.424 2.783 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000554885999 430653671 /nfs/dbraw/zinc/65/36/71/430653671.db2.gz JHNBYMIEUWTTAE-KBXCAEBGSA-N 2 1 316.424 2.783 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000554886001 430653856 /nfs/dbraw/zinc/65/38/56/430653856.db2.gz JHNBYMIEUWTTAE-KDOFPFPSSA-N 2 1 316.424 2.783 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000554886001 430653860 /nfs/dbraw/zinc/65/38/60/430653860.db2.gz JHNBYMIEUWTTAE-KDOFPFPSSA-N 2 1 316.424 2.783 20 0 DFADMP C[C@@H]1OCC[C@@H]1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639504011 430658416 /nfs/dbraw/zinc/65/84/16/430658416.db2.gz OVYKJEDHHZCDNS-YTQUADARSA-N 2 1 302.462 2.865 20 0 DFADMP COC[C@H]([NH2+][C@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000643456351 430602731 /nfs/dbraw/zinc/60/27/31/430602731.db2.gz TVHZMTQMYQQTFG-YGRLFVJLSA-N 2 1 302.340 2.590 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552920565 430603105 /nfs/dbraw/zinc/60/31/05/430603105.db2.gz ASMHFKQMAMCJHW-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552920565 430603109 /nfs/dbraw/zinc/60/31/09/430603109.db2.gz ASMHFKQMAMCJHW-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc21 ZINC000643463342 430604080 /nfs/dbraw/zinc/60/40/80/430604080.db2.gz ZHCBEJFZZLVHHX-ZTFGCOKTSA-N 2 1 313.445 2.512 20 0 DFADMP CNC(=O)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000643459743 430604372 /nfs/dbraw/zinc/60/43/72/430604372.db2.gz DHPNECZJQWFNPF-RBUKOAKNSA-N 2 1 323.440 2.629 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000643462835 430604931 /nfs/dbraw/zinc/60/49/31/430604931.db2.gz MKDKZQNGHFNIHZ-BPUTZDHNSA-N 2 1 309.404 2.664 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccnc1OC(C)C ZINC000643471847 430606279 /nfs/dbraw/zinc/60/62/79/430606279.db2.gz JUHCPOPFNDEQFH-CYBMUJFWSA-N 2 1 314.433 2.882 20 0 DFADMP Cc1ncccc1NC(=O)[C@H](C)[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000643493944 430608600 /nfs/dbraw/zinc/60/86/00/430608600.db2.gz QTFBCHBXQDZKCA-BPUTZDHNSA-N 2 1 318.465 2.617 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC3CCCCC3)CC2)CC1 ZINC000553158734 430609141 /nfs/dbraw/zinc/60/91/41/430609141.db2.gz MYSICQOEAQXWRY-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CCCC[NH2+]2)C3)cc1 ZINC000643501545 430609937 /nfs/dbraw/zinc/60/99/37/430609937.db2.gz KEPMNBFZRASDOG-HAGHYFMRSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000643507515 430611882 /nfs/dbraw/zinc/61/18/82/430611882.db2.gz HBLFZTJBEOUJHF-IHPCNDPISA-N 2 1 313.489 2.629 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518341 430661011 /nfs/dbraw/zinc/66/10/11/430661011.db2.gz FEGUCVLRAVRLLH-QFBILLFUSA-N 2 1 300.446 2.675 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000643521893 430612590 /nfs/dbraw/zinc/61/25/90/430612590.db2.gz DZAXCDHQMOZUHY-QWHCGFSZSA-N 2 1 319.840 2.713 20 0 DFADMP COc1cccc(C)c1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000639334875 430612637 /nfs/dbraw/zinc/61/26/37/430612637.db2.gz KAQFLOZWKLPGBI-MRXNPFEDSA-N 2 1 306.450 2.546 20 0 DFADMP COc1cccc(C)c1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000639334875 430612640 /nfs/dbraw/zinc/61/26/40/430612640.db2.gz KAQFLOZWKLPGBI-MRXNPFEDSA-N 2 1 306.450 2.546 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639358804 430620198 /nfs/dbraw/zinc/62/01/98/430620198.db2.gz DMSFEZDGEWLVBS-HSFDUWRESA-N 2 1 324.472 2.944 20 0 DFADMP CC(C)c1cc(N2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000553679682 430621347 /nfs/dbraw/zinc/62/13/47/430621347.db2.gz OSOYHBSXJFGSBE-GJZGRUSLSA-N 2 1 317.481 2.729 20 0 DFADMP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC/C=C/c2ccc(F)cc2F)C1 ZINC000639370908 430623555 /nfs/dbraw/zinc/62/35/55/430623555.db2.gz FDIMBRSYPONBKF-MRNKZCQNSA-N 2 1 322.399 2.555 20 0 DFADMP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC/C=C/c2ccc(F)cc2F)C1 ZINC000639370908 430623556 /nfs/dbraw/zinc/62/35/56/430623556.db2.gz FDIMBRSYPONBKF-MRNKZCQNSA-N 2 1 322.399 2.555 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000554521445 430640302 /nfs/dbraw/zinc/64/03/02/430640302.db2.gz JIGMBVPZOAOZTD-GOSISDBHSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000554521445 430640305 /nfs/dbraw/zinc/64/03/05/430640305.db2.gz JIGMBVPZOAOZTD-GOSISDBHSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000554521445 430640307 /nfs/dbraw/zinc/64/03/07/430640307.db2.gz JIGMBVPZOAOZTD-GOSISDBHSA-N 2 1 323.525 2.830 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)CC1 ZINC000571658472 430644517 /nfs/dbraw/zinc/64/45/17/430644517.db2.gz IXXNQNXKDOUUDF-IBGZPJMESA-N 2 1 313.489 2.856 20 0 DFADMP C[C@@H]1OCC[C@@H]1C[N@H+]1CCC[C@H]([NH+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639546950 430668985 /nfs/dbraw/zinc/66/89/85/430668985.db2.gz NKLZOXVAABMZAJ-FKSLSLAPSA-N 2 1 324.509 2.623 20 0 DFADMP C[C@@H]1OCC[C@@H]1C[N@@H+]1CCC[C@H]([NH+](C)C[C@@H]2CCO[C@H]2C)CC1 ZINC000639546950 430668990 /nfs/dbraw/zinc/66/89/90/430668990.db2.gz NKLZOXVAABMZAJ-FKSLSLAPSA-N 2 1 324.509 2.623 20 0 DFADMP CCCOc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000572228012 430676609 /nfs/dbraw/zinc/67/66/09/430676609.db2.gz GJKSSCHSALADPN-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000556085707 430678238 /nfs/dbraw/zinc/67/82/38/430678238.db2.gz SWTTVVYTUBRPJP-GOSISDBHSA-N 2 1 306.425 2.821 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094034 430679321 /nfs/dbraw/zinc/67/93/21/430679321.db2.gz OPALQFZZWXGXBS-RHSMWYFYSA-N 2 1 304.434 2.856 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)n1 ZINC000639623305 430683808 /nfs/dbraw/zinc/68/38/08/430683808.db2.gz IYFUARCHFLAJQP-CRAIPNDOSA-N 2 1 304.434 2.777 20 0 DFADMP Cc1cc(C)c(CN2C[C@@H](C)O[C@]3(CCCOC3)C2)c(C)n1 ZINC000639623305 430683810 /nfs/dbraw/zinc/68/38/10/430683810.db2.gz IYFUARCHFLAJQP-CRAIPNDOSA-N 2 1 304.434 2.777 20 0 DFADMP CSC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000373896848 278125810 /nfs/dbraw/zinc/12/58/10/278125810.db2.gz HZFQZJCWOFZUGX-ARFHVFGLSA-N 2 1 312.523 2.751 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000572594736 430691534 /nfs/dbraw/zinc/69/15/34/430691534.db2.gz DJROZRIGDPHIJP-IRXDYDNUSA-N 2 1 319.424 2.679 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000572594736 430691535 /nfs/dbraw/zinc/69/15/35/430691535.db2.gz DJROZRIGDPHIJP-IRXDYDNUSA-N 2 1 319.424 2.679 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000375997529 278197157 /nfs/dbraw/zinc/19/71/57/278197157.db2.gz BWZODEMFZSIESB-UHFFFAOYSA-N 2 1 315.461 2.953 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1OCCc2sccc21 ZINC000368144926 278274644 /nfs/dbraw/zinc/27/46/44/278274644.db2.gz XLBKOGRKWVBBJQ-QDEZUTFSSA-N 2 1 306.475 2.967 20 0 DFADMP C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358464551 278284577 /nfs/dbraw/zinc/28/45/77/278284577.db2.gz DYIMYPPGYCVZMH-DRMAHVMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H](N[C@H]1C[NH+](C2CC2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358464551 278284580 /nfs/dbraw/zinc/28/45/80/278284580.db2.gz DYIMYPPGYCVZMH-DRMAHVMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H](N[C@H]1C[NH+](C2CC2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358464551 278284582 /nfs/dbraw/zinc/28/45/82/278284582.db2.gz DYIMYPPGYCVZMH-DRMAHVMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358464551 278284583 /nfs/dbraw/zinc/28/45/83/278284583.db2.gz DYIMYPPGYCVZMH-DRMAHVMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358464551 278284585 /nfs/dbraw/zinc/28/45/85/278284585.db2.gz DYIMYPPGYCVZMH-DRMAHVMPSA-N 2 1 305.510 2.712 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000572767735 430696974 /nfs/dbraw/zinc/69/69/74/430696974.db2.gz KJHXSBAJJHPPRB-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C)cc1 ZINC000572834340 430697443 /nfs/dbraw/zinc/69/74/43/430697443.db2.gz FHJCQKUGNFDQID-INIZCTEOSA-N 2 1 313.449 2.821 20 0 DFADMP C[C@@H]([NH2+]CCCn1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272652364 278346349 /nfs/dbraw/zinc/34/63/49/278346349.db2.gz KQOVIQXQDHSIMV-MJGOQNOKSA-N 2 1 312.461 2.773 20 0 DFADMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000657752591 430725425 /nfs/dbraw/zinc/72/54/25/430725425.db2.gz QKLGVNIAQBABOG-GOSISDBHSA-N 2 1 318.461 2.737 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750998 430725584 /nfs/dbraw/zinc/72/55/84/430725584.db2.gz MOGMRFPLRWXLDA-XCTGESOMSA-N 2 1 300.446 2.933 20 0 DFADMP c1c2ccncc2sc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751080 430725978 /nfs/dbraw/zinc/72/59/78/430725978.db2.gz FRBFZBZHWFGYKW-OAHLLOKOSA-N 2 1 317.458 2.639 20 0 DFADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000661472221 430727068 /nfs/dbraw/zinc/72/70/68/430727068.db2.gz APJKEQZTYWGDGU-KRWDZBQOSA-N 2 1 303.406 2.568 20 0 DFADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccccc2F)CCCC1 ZINC000644523094 430742903 /nfs/dbraw/zinc/74/29/03/430742903.db2.gz KMZFJWOYQDCEKP-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP COC[C@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000657823839 430746656 /nfs/dbraw/zinc/74/66/56/430746656.db2.gz OTSASIZEZCIVNA-WMZOPIPTSA-N 2 1 312.498 2.672 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1COC3(CCC3)C1)C2 ZINC000657827022 430746922 /nfs/dbraw/zinc/74/69/22/430746922.db2.gz KPRMOJNDJCUTCL-SFHVURJKSA-N 2 1 300.446 2.736 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1COC3(CCC3)C1)C2 ZINC000657827022 430746925 /nfs/dbraw/zinc/74/69/25/430746925.db2.gz KPRMOJNDJCUTCL-SFHVURJKSA-N 2 1 300.446 2.736 20 0 DFADMP COC1([C@@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000657828554 430748710 /nfs/dbraw/zinc/74/87/10/430748710.db2.gz TZXQKXXWHFGCSZ-MRXNPFEDSA-N 2 1 302.462 2.982 20 0 DFADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCC1 ZINC000657828554 430748717 /nfs/dbraw/zinc/74/87/17/430748717.db2.gz TZXQKXXWHFGCSZ-MRXNPFEDSA-N 2 1 302.462 2.982 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000644560715 430752528 /nfs/dbraw/zinc/75/25/28/430752528.db2.gz DLPMMXRYAOEPJF-VQTJNVASSA-N 2 1 324.468 2.799 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCc2ccccc21 ZINC000644560715 430752530 /nfs/dbraw/zinc/75/25/30/430752530.db2.gz DLPMMXRYAOEPJF-VQTJNVASSA-N 2 1 324.468 2.799 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000644574919 430756007 /nfs/dbraw/zinc/75/60/07/430756007.db2.gz KDNUJJDILLKIGT-SWLSCSKDSA-N 2 1 309.841 2.741 20 0 DFADMP Cc1ccc(CC[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644569485 430757014 /nfs/dbraw/zinc/75/70/14/430757014.db2.gz SHGPRKWFOVNTAX-FQEVSTJZSA-N 2 1 312.457 2.620 20 0 DFADMP Cc1ccc(CC[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644569485 430757021 /nfs/dbraw/zinc/75/70/21/430757021.db2.gz SHGPRKWFOVNTAX-FQEVSTJZSA-N 2 1 312.457 2.620 20 0 DFADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657866419 430757170 /nfs/dbraw/zinc/75/71/70/430757170.db2.gz BNSJLDUVMGDPAY-RBUKOAKNSA-N 2 1 324.472 2.872 20 0 DFADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657866419 430757178 /nfs/dbraw/zinc/75/71/78/430757178.db2.gz BNSJLDUVMGDPAY-RBUKOAKNSA-N 2 1 324.472 2.872 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000657875356 430759881 /nfs/dbraw/zinc/75/98/81/430759881.db2.gz CLMOEQRKRFAOAI-NEPJUHHUSA-N 2 1 312.255 2.837 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000657875356 430759886 /nfs/dbraw/zinc/75/98/86/430759886.db2.gz CLMOEQRKRFAOAI-NEPJUHHUSA-N 2 1 312.255 2.837 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CCc1cccc(-c2ccccc2)c1)C1CC1 ZINC000644594149 430763515 /nfs/dbraw/zinc/76/35/15/430763515.db2.gz PDLPDMBWWBKIHD-OAQYLSRUSA-N 2 1 324.468 2.941 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1cccc(-c2ccccc2)c1)C1CC1 ZINC000644594149 430763522 /nfs/dbraw/zinc/76/35/22/430763522.db2.gz PDLPDMBWWBKIHD-OAQYLSRUSA-N 2 1 324.468 2.941 20 0 DFADMP CC(C)[C@H]1[N@@H+](C[C@H](O)CN(C)Cc2ccccc2)CC12CCC2 ZINC000644608577 430767304 /nfs/dbraw/zinc/76/73/04/430767304.db2.gz OVETXTDTZGKMCT-RTBURBONSA-N 2 1 316.489 2.990 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCc1cccs1 ZINC000644612344 430768605 /nfs/dbraw/zinc/76/86/05/430768605.db2.gz TWTGOFNNFWOHOF-QGZVFWFLSA-N 2 1 318.486 2.763 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCCc1cccs1 ZINC000644612344 430768608 /nfs/dbraw/zinc/76/86/08/430768608.db2.gz TWTGOFNNFWOHOF-QGZVFWFLSA-N 2 1 318.486 2.763 20 0 DFADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1COCCO1 ZINC000661612814 430772006 /nfs/dbraw/zinc/77/20/06/430772006.db2.gz CSKIFJLBZLHUPJ-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000657942749 430772487 /nfs/dbraw/zinc/77/24/87/430772487.db2.gz CEPQMALKHCTFKE-INIZCTEOSA-N 2 1 310.869 2.707 20 0 DFADMP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]C1CC[NH+](CCO)CC1 ZINC000657942768 430772769 /nfs/dbraw/zinc/77/27/69/430772769.db2.gz CYFHLURNWHSCGS-INIZCTEOSA-N 2 1 316.489 2.543 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000657973151 430779046 /nfs/dbraw/zinc/77/90/46/430779046.db2.gz CASHQELZSSQKOU-PMACEKPBSA-N 2 1 316.489 2.919 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000657973151 430779049 /nfs/dbraw/zinc/77/90/49/430779049.db2.gz CASHQELZSSQKOU-PMACEKPBSA-N 2 1 316.489 2.919 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000648412667 430779152 /nfs/dbraw/zinc/77/91/52/430779152.db2.gz IDHRFMIFRFLZKM-RBUKOAKNSA-N 2 1 302.462 2.982 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000648412667 430779157 /nfs/dbraw/zinc/77/91/57/430779157.db2.gz IDHRFMIFRFLZKM-RBUKOAKNSA-N 2 1 302.462 2.982 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@H]2CCC[C@H]21 ZINC000658105366 430812591 /nfs/dbraw/zinc/81/25/91/430812591.db2.gz IFDIOBKBXBHTFJ-FGTMMUONSA-N 2 1 314.477 2.644 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C ZINC000658135293 430820453 /nfs/dbraw/zinc/82/04/53/430820453.db2.gz CZLKIXKVHGPKHA-FDPIWHGQSA-N 2 1 302.462 2.777 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658136414 430821320 /nfs/dbraw/zinc/82/13/20/430821320.db2.gz IEPVQRUHIOKYHX-MOPGFXCFSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cncs1 ZINC000658136899 430822979 /nfs/dbraw/zinc/82/29/79/430822979.db2.gz FTWPADIPQRHURR-CZUORRHYSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142858 430823742 /nfs/dbraw/zinc/82/37/42/430823742.db2.gz FCAHAWYLZRYZJP-AYOQOUSVSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC1 ZINC000658139900 430823829 /nfs/dbraw/zinc/82/38/29/430823829.db2.gz NZGSJBWPMHILRD-OALUTQOASA-N 2 1 302.462 2.777 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155641 430825447 /nfs/dbraw/zinc/82/54/47/430825447.db2.gz QMTGOFQFLYLRGN-BPIHKTFHSA-N 2 1 314.473 2.933 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H](C)c3cnc(C)cn3)C2)c1 ZINC000644668255 430784608 /nfs/dbraw/zinc/78/46/08/430784608.db2.gz LBLPLYHVUIOZPT-HOTGVXAUSA-N 2 1 311.433 2.983 20 0 DFADMP Fc1cc(Br)cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000648442386 430788431 /nfs/dbraw/zinc/78/84/31/430788431.db2.gz SHVQFHLNZNDRGG-ZDUSSCGKSA-N 2 1 324.197 2.889 20 0 DFADMP Fc1c(Br)cccc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000648442437 430788798 /nfs/dbraw/zinc/78/87/98/430788798.db2.gz YWLIZYVXZVJEFG-NSHDSACASA-N 2 1 324.197 2.889 20 0 DFADMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc3c(c1)OCCCCO3)C2 ZINC000648442213 430789425 /nfs/dbraw/zinc/78/94/25/430789425.db2.gz FNDKPTXLIJAQNA-HNNXBMFYSA-N 2 1 313.401 2.539 20 0 DFADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000665298662 430888885 /nfs/dbraw/zinc/88/88/85/430888885.db2.gz ZRDWAWGDPJJVEF-AITUJVMLSA-N 2 1 301.478 2.627 20 0 DFADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnnn1-c1ccccc1)C(C)(C)C ZINC000651712287 430855251 /nfs/dbraw/zinc/85/52/51/430855251.db2.gz ZLCIWGSPYHQZMI-QGZVFWFLSA-N 2 1 315.465 2.723 20 0 DFADMP COC[C@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651710956 430856227 /nfs/dbraw/zinc/85/62/27/430856227.db2.gz VGYNGABHVIRMSX-DLBZAZTESA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cc3cnccc3o2)C[C@H](C)O1 ZINC000651721045 430858877 /nfs/dbraw/zinc/85/88/77/430858877.db2.gz RGWVVYKRASEBPY-GASCZTMLSA-N 2 1 317.433 2.807 20 0 DFADMP CC1(C)[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(F)F ZINC000658281755 430860005 /nfs/dbraw/zinc/86/00/05/430860005.db2.gz RZEUSYUYAQHOMT-KGLIPLIRSA-N 2 1 302.409 2.511 20 0 DFADMP CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286529 430862371 /nfs/dbraw/zinc/86/23/71/430862371.db2.gz AMIRRWAXVYNKMZ-FUHWJXTLSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@H+]1CC[C@@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286529 430862373 /nfs/dbraw/zinc/86/23/73/430862373.db2.gz AMIRRWAXVYNKMZ-FUHWJXTLSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@@H+]1CC[C@@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287894 430863319 /nfs/dbraw/zinc/86/33/19/430863319.db2.gz ONESBTZSCDTMIK-FUHWJXTLSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@H+]1CC[C@@H](N[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287894 430863324 /nfs/dbraw/zinc/86/33/24/430863324.db2.gz ONESBTZSCDTMIK-FUHWJXTLSA-N 2 1 319.493 2.762 20 0 DFADMP c1cnc(N2CCCC2)c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000665235873 430863839 /nfs/dbraw/zinc/86/38/39/430863839.db2.gz BJDRXYVMWJIOKJ-RCCFBDPRSA-N 2 1 314.477 2.692 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCOCC1 ZINC000665237033 430863851 /nfs/dbraw/zinc/86/38/51/430863851.db2.gz YOXQYBPBUKQDDA-QYZOEREBSA-N 2 1 318.461 2.511 20 0 DFADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240633 430866482 /nfs/dbraw/zinc/86/64/82/430866482.db2.gz PMNUWMQYJVLLJB-OALUTQOASA-N 2 1 316.493 2.543 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1NC(C)=O ZINC000665249034 430867407 /nfs/dbraw/zinc/86/74/07/430867407.db2.gz IDIXFZRWWKAGTH-LBPRGKRZSA-N 2 1 305.422 2.576 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665249005 430869158 /nfs/dbraw/zinc/86/91/58/430869158.db2.gz HWLDYFFYIRSTGM-GFCCVEGCSA-N 2 1 301.434 2.838 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648724309 430869828 /nfs/dbraw/zinc/86/98/28/430869828.db2.gz QYZMUOHIBDCDSC-KBAYOESNSA-N 2 1 317.477 2.526 20 0 DFADMP COCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251918 430870894 /nfs/dbraw/zinc/87/08/94/430870894.db2.gz BPKQCLRNZMYSSL-WJFTUGDTSA-N 2 1 302.462 2.927 20 0 DFADMP COCC[C@H]1CCC[C@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251917 430870906 /nfs/dbraw/zinc/87/09/06/430870906.db2.gz BPKQCLRNZMYSSL-NCXUSEDFSA-N 2 1 302.462 2.927 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCO[C@@H](C)C2)cc1 ZINC000665255009 430870992 /nfs/dbraw/zinc/87/09/92/430870992.db2.gz GIEDJYKIKDVNJP-FXECBMLZSA-N 2 1 318.461 2.688 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCSCC2)cc1F ZINC000665258876 430872757 /nfs/dbraw/zinc/87/27/57/430872757.db2.gz NYYKVVVVHYAWMH-HOCLYGCPSA-N 2 1 324.465 2.765 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000665257896 430873377 /nfs/dbraw/zinc/87/33/77/430873377.db2.gz XVHQTUFCXIXSOT-GDIGMMSISA-N 3 1 319.468 2.591 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000648781349 430889447 /nfs/dbraw/zinc/88/94/47/430889447.db2.gz DCLIBADYINQUEP-OAHLLOKOSA-N 2 1 320.481 2.729 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@@H]([NH3+])C3)on2)cc1 ZINC000665262034 430874057 /nfs/dbraw/zinc/87/40/57/430874057.db2.gz RQCGBGGJIYJNPM-ZIAGYGMSSA-N 2 1 301.390 2.710 20 0 DFADMP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000651786125 430875722 /nfs/dbraw/zinc/87/57/22/430875722.db2.gz LYHFHAMPFPVOHQ-HOTGVXAUSA-N 2 1 300.487 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccco2)[C@@H](C)C1 ZINC000658327231 430876074 /nfs/dbraw/zinc/87/60/74/430876074.db2.gz NGVYKPIKEDHIFX-WMZOPIPTSA-N 2 1 308.466 2.939 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267240 430876238 /nfs/dbraw/zinc/87/62/38/430876238.db2.gz SJLJMBSYQCZCQI-WBVHZDCISA-N 2 1 316.493 2.906 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(C2CCCCC2)C1 ZINC000665267240 430876241 /nfs/dbraw/zinc/87/62/41/430876241.db2.gz SJLJMBSYQCZCQI-WBVHZDCISA-N 2 1 316.493 2.906 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccco2)[C@H](C)C1 ZINC000658327226 430877140 /nfs/dbraw/zinc/87/71/40/430877140.db2.gz NGVYKPIKEDHIFX-SJLPKXTDSA-N 2 1 308.466 2.939 20 0 DFADMP CCC[NH+]1CCC(N(C)C(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000648745725 430877920 /nfs/dbraw/zinc/87/79/20/430877920.db2.gz NMTDFYJFXCFQFI-HNNXBMFYSA-N 2 1 320.481 2.729 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](C2CCC2)C1 ZINC000665286391 430882563 /nfs/dbraw/zinc/88/25/63/430882563.db2.gz KONUGKTXEGMMQD-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@H](C2CCC2)C1 ZINC000665286391 430882566 /nfs/dbraw/zinc/88/25/66/430882566.db2.gz KONUGKTXEGMMQD-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000665286391 430882571 /nfs/dbraw/zinc/88/25/71/430882571.db2.gz KONUGKTXEGMMQD-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665286391 430882576 /nfs/dbraw/zinc/88/25/76/430882576.db2.gz KONUGKTXEGMMQD-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000658353771 430883656 /nfs/dbraw/zinc/88/36/56/430883656.db2.gz RSCNSVMIJHYRPS-WFAGLZIHSA-N 2 1 314.473 2.790 20 0 DFADMP c1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658189934 430838055 /nfs/dbraw/zinc/83/80/55/430838055.db2.gz YOGBABHUBXHDMW-PKOBYXMFSA-N 2 1 300.446 2.907 20 0 DFADMP COc1ccc(-c2cc(CN[C@@H]3CC[N@@H+](C)[C@H](C)C3)on2)cc1 ZINC000658188266 430838505 /nfs/dbraw/zinc/83/85/05/430838505.db2.gz PSTRJINQDIGENX-UKRRQHHQSA-N 2 1 315.417 2.923 20 0 DFADMP CC1(C)CC[C@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665292829 430889908 /nfs/dbraw/zinc/88/99/08/430889908.db2.gz KEBXAQIHBQQTSV-HNNXBMFYSA-N 2 1 312.417 2.543 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000648787312 430891344 /nfs/dbraw/zinc/89/13/44/430891344.db2.gz MUVQBMMZCVVJKP-LSDHHAIUSA-N 2 1 322.497 2.879 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000648794987 430895419 /nfs/dbraw/zinc/89/54/19/430895419.db2.gz OILRRKUGLSALSA-ARFHVFGLSA-N 2 1 320.481 2.585 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000648794987 430895425 /nfs/dbraw/zinc/89/54/25/430895425.db2.gz OILRRKUGLSALSA-ARFHVFGLSA-N 2 1 320.481 2.585 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000648794988 430896086 /nfs/dbraw/zinc/89/60/86/430896086.db2.gz OILRRKUGLSALSA-BZUAXINKSA-N 2 1 320.481 2.585 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000648794988 430896090 /nfs/dbraw/zinc/89/60/90/430896090.db2.gz OILRRKUGLSALSA-BZUAXINKSA-N 2 1 320.481 2.585 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000651866092 430898903 /nfs/dbraw/zinc/89/89/03/430898903.db2.gz UNJHZKLETPTVAP-QGZVFWFLSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000648849550 430913798 /nfs/dbraw/zinc/91/37/98/430913798.db2.gz KLVHYDDWWMEFPQ-CRAIPNDOSA-N 2 1 315.461 2.604 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H](C)C1 ZINC000651966327 430927760 /nfs/dbraw/zinc/92/77/60/430927760.db2.gz DMRMPWOWBMJOSC-DDBAPUKQSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000648922267 430939067 /nfs/dbraw/zinc/93/90/67/430939067.db2.gz CHDKVTDNFMTSBD-SRCQZFHVSA-N 2 1 301.434 2.514 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000648932225 430942798 /nfs/dbraw/zinc/94/27/98/430942798.db2.gz LFZQKNHNEJYFMX-OAHLLOKOSA-N 2 1 320.481 2.729 20 0 DFADMP FC1(F)Oc2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2O1 ZINC000652038175 430942809 /nfs/dbraw/zinc/94/28/09/430942809.db2.gz LRMJWILURXFXIJ-ZIAGYGMSSA-N 2 1 324.371 2.767 20 0 DFADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000662155471 430983347 /nfs/dbraw/zinc/98/33/47/430983347.db2.gz JIWGZSZQUGTHFP-SFHVURJKSA-N 2 1 322.880 2.804 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000662155471 430983351 /nfs/dbraw/zinc/98/33/51/430983351.db2.gz JIWGZSZQUGTHFP-SFHVURJKSA-N 2 1 322.880 2.804 20 0 DFADMP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662160072 430983571 /nfs/dbraw/zinc/98/35/71/430983571.db2.gz MFEHNNUDKHPOHM-LPHOPBHVSA-N 2 1 302.462 2.539 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C12CCOCC2 ZINC000652221907 430991133 /nfs/dbraw/zinc/99/11/33/430991133.db2.gz ACBWZBBADXIMHX-SJORKVTESA-N 2 1 312.498 2.528 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000652221110 430992168 /nfs/dbraw/zinc/99/21/68/430992168.db2.gz QVRFDRRRHCSCMG-INIZCTEOSA-N 2 1 315.465 2.896 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)CO2 ZINC000652222410 430993162 /nfs/dbraw/zinc/99/31/62/430993162.db2.gz NVWZBBKNTBKJNW-MRXNPFEDSA-N 2 1 306.450 2.566 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000645250188 430951081 /nfs/dbraw/zinc/95/10/81/430951081.db2.gz AJBWUJIWSGUDLG-IPMKNSEASA-N 2 1 316.489 2.990 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000645250188 430951089 /nfs/dbraw/zinc/95/10/89/430951089.db2.gz AJBWUJIWSGUDLG-IPMKNSEASA-N 2 1 316.489 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000645250188 430951095 /nfs/dbraw/zinc/95/10/95/430951095.db2.gz AJBWUJIWSGUDLG-IPMKNSEASA-N 2 1 316.489 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@H]21 ZINC000645250188 430951100 /nfs/dbraw/zinc/95/11/00/430951100.db2.gz AJBWUJIWSGUDLG-IPMKNSEASA-N 2 1 316.489 2.990 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[N@@H+](C)C2)o1 ZINC000655326857 430960904 /nfs/dbraw/zinc/96/09/04/430960904.db2.gz XMZYZECNBMDHDX-OAHLLOKOSA-N 2 1 321.465 2.583 20 0 DFADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258681 431019628 /nfs/dbraw/zinc/01/96/28/431019628.db2.gz YZBMQWPYERKXJW-ROUUACIJSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256596 431020306 /nfs/dbraw/zinc/02/03/06/431020306.db2.gz WSQBBNGYUKYCSR-COXVUDFISA-N 2 1 304.409 2.730 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000645516153 431021207 /nfs/dbraw/zinc/02/12/07/431021207.db2.gz IMDNRSFULBGEIZ-JENIJYKNSA-N 2 1 321.509 2.537 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263568 431022286 /nfs/dbraw/zinc/02/22/86/431022286.db2.gz NKPDAJMHOURFGK-MAUKXSAKSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263568 431022289 /nfs/dbraw/zinc/02/22/89/431022289.db2.gz NKPDAJMHOURFGK-MAUKXSAKSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263568 431022292 /nfs/dbraw/zinc/02/22/92/431022292.db2.gz NKPDAJMHOURFGK-MAUKXSAKSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263568 431022294 /nfs/dbraw/zinc/02/22/94/431022294.db2.gz NKPDAJMHOURFGK-MAUKXSAKSA-N 2 1 301.478 2.637 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)C[C@@H]1C ZINC000662263568 431022297 /nfs/dbraw/zinc/02/22/97/431022297.db2.gz NKPDAJMHOURFGK-MAUKXSAKSA-N 2 1 301.478 2.637 20 0 DFADMP Cc1nn(C)cc1[C@@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662261906 431022963 /nfs/dbraw/zinc/02/29/63/431022963.db2.gz CGDTUXGMRXMXIX-IBGZPJMESA-N 2 1 310.445 2.711 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1cccc(OCc2ccccn2)c1)C1CC1 ZINC000652335734 431024203 /nfs/dbraw/zinc/02/42/03/431024203.db2.gz CTEHWRNQWWCZNP-IBGZPJMESA-N 2 1 311.429 2.878 20 0 DFADMP CCCc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000652348424 431027637 /nfs/dbraw/zinc/02/76/37/431027637.db2.gz DGRMUMSTEMKIDG-DZKIICNBSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)c1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])c1 ZINC000662271491 431027831 /nfs/dbraw/zinc/02/78/31/431027831.db2.gz HSHPWCYJERMJIG-SFHVURJKSA-N 2 1 317.477 2.630 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348588 431027872 /nfs/dbraw/zinc/02/78/72/431027872.db2.gz JBBXCATUBOVQDF-PCODUJHASA-N 2 1 318.461 2.975 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCSc3ccccc3)C2)C1 ZINC000652347977 431028387 /nfs/dbraw/zinc/02/83/87/431028387.db2.gz QOTXLPNNRAXFMI-LZLYRXPVSA-N 2 1 320.502 2.997 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)C1 ZINC000652350079 431028412 /nfs/dbraw/zinc/02/84/12/431028412.db2.gz FHGRUKWRBASKNI-GUDVDZBRSA-N 2 1 324.509 2.802 20 0 DFADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000655493310 431029273 /nfs/dbraw/zinc/02/92/73/431029273.db2.gz FKNRJRLNOAHLQG-HNNXBMFYSA-N 2 1 323.868 2.673 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@H]1CC[NH3+] ZINC000652354544 431029509 /nfs/dbraw/zinc/02/95/09/431029509.db2.gz BQDVZHZTLFRIPQ-KDOFPFPSSA-N 2 1 316.424 2.961 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@H]1CC[NH3+] ZINC000652354544 431029516 /nfs/dbraw/zinc/02/95/16/431029516.db2.gz BQDVZHZTLFRIPQ-KDOFPFPSSA-N 2 1 316.424 2.961 20 0 DFADMP CN(c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1)C1CC1 ZINC000662274450 431031089 /nfs/dbraw/zinc/03/10/89/431031089.db2.gz UIKZJXBYHFTNRZ-KGLIPLIRSA-N 2 1 320.506 2.563 20 0 DFADMP Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362861 431032529 /nfs/dbraw/zinc/03/25/29/431032529.db2.gz RKCBCEAYKUTCAX-IPMKNSEASA-N 2 1 302.462 2.898 20 0 DFADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298030 431037568 /nfs/dbraw/zinc/03/75/68/431037568.db2.gz UEGVHVHOXPJIOL-NVXWUHKLSA-N 2 1 321.509 2.535 20 0 DFADMP COc1ccc(CC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662295814 431038051 /nfs/dbraw/zinc/03/80/51/431038051.db2.gz VHYJJILWVHWSDS-SFHVURJKSA-N 2 1 302.462 2.949 20 0 DFADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297799 431039138 /nfs/dbraw/zinc/03/91/38/431039138.db2.gz RYJBCORMPWHXJW-FUHWJXTLSA-N 2 1 323.525 2.591 20 0 DFADMP CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000662307565 431042813 /nfs/dbraw/zinc/04/28/13/431042813.db2.gz XKUXCELMKDIIIV-WOJBJXKFSA-N 2 1 315.505 2.625 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)[C@@H]1CCC[NH3+] ZINC000662312403 431042851 /nfs/dbraw/zinc/04/28/51/431042851.db2.gz BXHALFKCHZJGQY-IEBWSBKVSA-N 2 1 320.477 2.921 20 0 DFADMP Cc1cccc(C)c1OCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317780 431044338 /nfs/dbraw/zinc/04/43/38/431044338.db2.gz SEFJUGZVEDTGAI-GOSISDBHSA-N 2 1 320.477 2.725 20 0 DFADMP Cc1cccc(C)c1OCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662317780 431044342 /nfs/dbraw/zinc/04/43/42/431044342.db2.gz SEFJUGZVEDTGAI-GOSISDBHSA-N 2 1 320.477 2.725 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C2CC2)C2CCCC2)[C@@H]1CCC[NH3+] ZINC000662313668 431044596 /nfs/dbraw/zinc/04/45/96/431044596.db2.gz KQBJXZOBUURWGB-CRAIPNDOSA-N 2 1 321.509 2.759 20 0 DFADMP CC[N@@H+](CCOCC[NH3+])[C@@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318840 431046704 /nfs/dbraw/zinc/04/67/04/431046704.db2.gz HNDSEVRIJOEXCC-ZDUSSCGKSA-N 2 1 318.383 2.934 20 0 DFADMP c1c(C2CC[NH2+]CC2)n[nH]c1C1CC[NH+](CC2CCC2)CC1 ZINC000662327315 431048737 /nfs/dbraw/zinc/04/87/37/431048737.db2.gz NCUOTELNRBFXBO-UHFFFAOYSA-N 2 1 302.466 2.856 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@](C)(C(F)F)O1 ZINC000662335582 431050585 /nfs/dbraw/zinc/05/05/85/431050585.db2.gz OHNUKXXAOXDOOE-YVEFUNNKSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@](C)(C(F)F)O1 ZINC000662335582 431050588 /nfs/dbraw/zinc/05/05/88/431050588.db2.gz OHNUKXXAOXDOOE-YVEFUNNKSA-N 2 1 310.388 2.577 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CCC(C)(C)[NH3+])c1ccccc1Cl ZINC000649279519 431054643 /nfs/dbraw/zinc/05/46/43/431054643.db2.gz WIVDMYSMBVSGMI-CQSZACIVSA-N 2 1 311.857 2.576 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000662387113 431070184 /nfs/dbraw/zinc/07/01/84/431070184.db2.gz BMSBYCHXMWTHIU-MAUKXSAKSA-N 2 1 317.477 2.675 20 0 DFADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248638 431012377 /nfs/dbraw/zinc/01/23/77/431012377.db2.gz IKBMUQYIDQLKSL-ZDUSSCGKSA-N 2 1 314.351 2.658 20 0 DFADMP COc1ccc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1O ZINC000662252356 431014766 /nfs/dbraw/zinc/01/47/66/431014766.db2.gz JPGNRRKTZCBNPM-UHFFFAOYSA-N 2 1 312.413 2.679 20 0 DFADMP Fc1ccc(C[N@@H+](CC2CC2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255506 431015525 /nfs/dbraw/zinc/01/55/25/431015525.db2.gz QLYHKEMFYUZUIR-QGZVFWFLSA-N 2 1 304.409 2.559 20 0 DFADMP C[C@@]1(c2ccccc2)CCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254790 431015829 /nfs/dbraw/zinc/01/58/29/431015829.db2.gz MBKOSIXPNLELHV-QZTJIDSGSA-N 2 1 300.446 2.561 20 0 DFADMP c1ccc(CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)cc1 ZINC000662255700 431016134 /nfs/dbraw/zinc/01/61/34/431016134.db2.gz CLWUUVCKSOQCEO-IBGZPJMESA-N 2 1 314.473 2.995 20 0 DFADMP OCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000662254236 431016632 /nfs/dbraw/zinc/01/66/32/431016632.db2.gz GBFCEVMAYYINTO-OAQYLSRUSA-N 2 1 322.452 2.814 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257904 431018667 /nfs/dbraw/zinc/01/86/67/431018667.db2.gz SUFACQAURJPHBK-ZWKOTPCHSA-N 2 1 320.452 2.846 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000662390150 431069117 /nfs/dbraw/zinc/06/91/17/431069117.db2.gz WWIFQXUHBCKGGL-SJORKVTESA-N 2 1 311.514 2.626 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257917 431019201 /nfs/dbraw/zinc/01/92/01/431019201.db2.gz RILADUXQLAKZOA-MSOLQXFVSA-N 2 1 300.446 2.523 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCc2cccc(Cl)c2C1 ZINC000666082560 431109920 /nfs/dbraw/zinc/10/99/20/431109920.db2.gz ONNLJZBKPGWPOM-HNNXBMFYSA-N 2 1 310.869 2.755 20 0 DFADMP Cc1csc([C@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000655754321 431116015 /nfs/dbraw/zinc/11/60/15/431116015.db2.gz UFHUBJZVBFHVGZ-CJNGLKHVSA-N 2 1 323.506 2.788 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)ccc1Cl ZINC000655754124 431117238 /nfs/dbraw/zinc/11/72/38/431117238.db2.gz LPTVSTDHJLGSJK-INIZCTEOSA-N 2 1 308.853 2.991 20 0 DFADMP C[C@@](O)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655760202 431120477 /nfs/dbraw/zinc/12/04/77/431120477.db2.gz MNVNRQQZBUUCTR-RTBURBONSA-N 2 1 324.509 2.551 20 0 DFADMP CC(C)[C@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757112 431120751 /nfs/dbraw/zinc/12/07/51/431120751.db2.gz BQQRMXXJHALYKO-KGLIPLIRSA-N 2 1 308.388 2.806 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000662592679 431124419 /nfs/dbraw/zinc/12/44/19/431124419.db2.gz JNIGIMDLLGNMGJ-PMPSAXMXSA-N 2 1 309.498 2.521 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662438729 431081068 /nfs/dbraw/zinc/08/10/68/431081068.db2.gz ASMBYTGDYGFNQT-PBHICJAKSA-N 2 1 317.477 2.525 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662450622 431085907 /nfs/dbraw/zinc/08/59/07/431085907.db2.gz UBQPXBPCWUJGNL-RVKKMQEKSA-N 2 1 315.461 2.600 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655696946 431088125 /nfs/dbraw/zinc/08/81/25/431088125.db2.gz CUVUJSMSWBLPBT-RTBURBONSA-N 2 1 318.461 2.607 20 0 DFADMP Clc1ccccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655703239 431088867 /nfs/dbraw/zinc/08/88/67/431088867.db2.gz NVVFZRNVJWPZFO-MRXNPFEDSA-N 2 1 308.853 2.725 20 0 DFADMP Cc1ccccc1CN1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000649411569 431092695 /nfs/dbraw/zinc/09/26/95/431092695.db2.gz HFFJEQIIZSHCQR-SFHVURJKSA-N 2 1 301.478 2.502 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccccn2)cc1 ZINC000649411725 431093115 /nfs/dbraw/zinc/09/31/15/431093115.db2.gz ZHBFLMFZHIJING-QFBILLFUSA-N 2 1 311.429 2.970 20 0 DFADMP CCN1C[C@@H](C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411423 431093385 /nfs/dbraw/zinc/09/33/85/431093385.db2.gz WPNHOYXTYUTGBA-DLBZAZTESA-N 2 1 317.477 2.595 20 0 DFADMP Fc1cccc(CCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655712480 431093531 /nfs/dbraw/zinc/09/35/31/431093531.db2.gz RTGPVWWJFLRRAW-GOSISDBHSA-N 2 1 306.425 2.601 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH2+]C2)n1 ZINC000649413112 431094112 /nfs/dbraw/zinc/09/41/12/431094112.db2.gz LYEHHGLPXMTLMM-QZTJIDSGSA-N 2 1 304.482 2.744 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1cccs1 ZINC000655718559 431096249 /nfs/dbraw/zinc/09/62/49/431096249.db2.gz BFGFULQECWHVKN-GDBMZVCRSA-N 2 1 308.491 2.770 20 0 DFADMP c1ccc(NC[C@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)nc1 ZINC000649414653 431096278 /nfs/dbraw/zinc/09/62/78/431096278.db2.gz OOXQMVKLMNASEA-QGZVFWFLSA-N 2 1 302.466 2.595 20 0 DFADMP CN(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000649418218 431096903 /nfs/dbraw/zinc/09/69/03/431096903.db2.gz JRUMOBICHUEVHQ-MSOLQXFVSA-N 2 1 301.478 2.834 20 0 DFADMP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655721367 431098900 /nfs/dbraw/zinc/09/89/00/431098900.db2.gz OAACTVPMYNKOAN-SFHVURJKSA-N 2 1 306.425 2.520 20 0 DFADMP C[C@@H](CCc1cccn1C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655718879 431099035 /nfs/dbraw/zinc/09/90/35/431099035.db2.gz FKSFBPGQZDKGIW-LPHOPBHVSA-N 2 1 319.493 2.579 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@@H](C)SC3)CC2)nc(C)[nH+]1 ZINC000655720879 431099655 /nfs/dbraw/zinc/09/96/55/431099655.db2.gz IGXWSPGPHDHSOO-CJNGLKHVSA-N 2 1 320.506 2.936 20 0 DFADMP OCC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655723136 431100573 /nfs/dbraw/zinc/10/05/73/431100573.db2.gz IBHQMWCMBLWXNM-MOPGFXCFSA-N 2 1 324.509 2.551 20 0 DFADMP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655723984 431100625 /nfs/dbraw/zinc/10/06/25/431100625.db2.gz KGKMYTMHIDZGOR-QFBILLFUSA-N 2 1 302.462 2.941 20 0 DFADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655726765 431102814 /nfs/dbraw/zinc/10/28/14/431102814.db2.gz DXIGCPLCPOSHMX-NEWSRXKRSA-N 2 1 300.446 2.633 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(C)c1 ZINC000655732462 431105076 /nfs/dbraw/zinc/10/50/76/431105076.db2.gz CGILUPYBBVSTQG-IBGZPJMESA-N 2 1 318.461 2.737 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCCO1 ZINC000655733401 431105224 /nfs/dbraw/zinc/10/52/24/431105224.db2.gz MXHDSDRHRBYETJ-ZWKOTPCHSA-N 2 1 324.509 2.815 20 0 DFADMP O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655734898 431105750 /nfs/dbraw/zinc/10/57/50/431105750.db2.gz PJKREBRBAUKXRZ-QXAKKESOSA-N 2 1 324.509 2.551 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000655732413 431106558 /nfs/dbraw/zinc/10/65/58/431106558.db2.gz ATGPNHZSOJKQEY-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000655732413 431106562 /nfs/dbraw/zinc/10/65/62/431106562.db2.gz ATGPNHZSOJKQEY-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662594447 431128930 /nfs/dbraw/zinc/12/89/30/431128930.db2.gz SSXIUSDRKVLYDU-CVEARBPZSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000649501833 431127450 /nfs/dbraw/zinc/12/74/50/431127450.db2.gz YGMRDNBULAXXAI-RYRKJORJSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000649501833 431127459 /nfs/dbraw/zinc/12/74/59/431127459.db2.gz YGMRDNBULAXXAI-RYRKJORJSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000367855728 279088154 /nfs/dbraw/zinc/08/81/54/279088154.db2.gz IXEZXFJRHVZALN-APWZRJJASA-N 2 1 319.468 2.816 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101650216 279101238 /nfs/dbraw/zinc/10/12/38/279101238.db2.gz QVSXJFQPMQSJNB-NXOAAHMSSA-N 2 1 311.514 2.874 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649508341 431131853 /nfs/dbraw/zinc/13/18/53/431131853.db2.gz QKAUEWVLOLQNJX-UHFFFAOYSA-N 2 1 304.482 2.772 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649508341 431131862 /nfs/dbraw/zinc/13/18/62/431131862.db2.gz QKAUEWVLOLQNJX-UHFFFAOYSA-N 2 1 304.482 2.772 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1cccnc1 ZINC000655777698 431132203 /nfs/dbraw/zinc/13/22/03/431132203.db2.gz YUIFALHIUJELFD-SFHVURJKSA-N 2 1 317.477 2.592 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1cccnc1 ZINC000655777694 431132343 /nfs/dbraw/zinc/13/23/43/431132343.db2.gz YUIFALHIUJELFD-GOSISDBHSA-N 2 1 317.477 2.592 20 0 DFADMP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655773056 431132816 /nfs/dbraw/zinc/13/28/16/431132816.db2.gz WYMUWNWXCLDFRV-NEWSRXKRSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000245563467 288107301 /nfs/dbraw/zinc/10/73/01/288107301.db2.gz NAYABOAAYANNEZ-WCXIOVBPSA-N 2 1 310.482 2.771 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC(C)(C)[NH3+])cc1 ZINC000662608666 431133874 /nfs/dbraw/zinc/13/38/74/431133874.db2.gz OXXXHPWOGOIFLN-UHFFFAOYSA-N 2 1 305.466 2.728 20 0 DFADMP Cc1cncc(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000649531603 431143127 /nfs/dbraw/zinc/14/31/27/431143127.db2.gz LUZYXZRGULAHBJ-QZTJIDSGSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000649531603 431143136 /nfs/dbraw/zinc/14/31/36/431143136.db2.gz LUZYXZRGULAHBJ-QZTJIDSGSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000649531603 431143142 /nfs/dbraw/zinc/14/31/42/431143142.db2.gz LUZYXZRGULAHBJ-QZTJIDSGSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000649531603 431143149 /nfs/dbraw/zinc/14/31/49/431143149.db2.gz LUZYXZRGULAHBJ-QZTJIDSGSA-N 2 1 316.493 2.914 20 0 DFADMP COCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000655817235 431163922 /nfs/dbraw/zinc/16/39/22/431163922.db2.gz JFUZJAAYESOILG-AEFFLSMTSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000646071464 431168589 /nfs/dbraw/zinc/16/85/89/431168589.db2.gz NWRIEGGBHWNMQJ-WMLDXEAASA-N 2 1 323.506 2.635 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646082638 431175252 /nfs/dbraw/zinc/17/52/52/431175252.db2.gz AOQRUEGVNXJLDO-SFHVURJKSA-N 2 1 311.429 2.622 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@H]2[NH2+]Cc3ccccc32)C[C@H]1C ZINC000662743833 431184329 /nfs/dbraw/zinc/18/43/29/431184329.db2.gz VMBYEZPQHHFKEV-UWWQBHOKSA-N 2 1 315.461 2.552 20 0 DFADMP Cc1ccccc1CCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104802 431188397 /nfs/dbraw/zinc/18/83/97/431188397.db2.gz NTSHIDZEHJDEGW-UHFFFAOYSA-N 2 1 302.462 2.724 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000659937306 431200185 /nfs/dbraw/zinc/20/01/85/431200185.db2.gz YQOFRPZILOBNJX-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000659937306 431200192 /nfs/dbraw/zinc/20/01/92/431200192.db2.gz YQOFRPZILOBNJX-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000659937306 431200198 /nfs/dbraw/zinc/20/01/98/431200198.db2.gz YQOFRPZILOBNJX-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000659937306 431200205 /nfs/dbraw/zinc/20/02/05/431200205.db2.gz YQOFRPZILOBNJX-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP C[C@@H]1CCN(C[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649545750 431151861 /nfs/dbraw/zinc/15/18/61/431151861.db2.gz QPADWRSTWFARMZ-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CCN(C[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649545750 431151869 /nfs/dbraw/zinc/15/18/69/431151869.db2.gz QPADWRSTWFARMZ-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CCN(C[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649545750 431151875 /nfs/dbraw/zinc/15/18/75/431151875.db2.gz QPADWRSTWFARMZ-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000662668486 431155874 /nfs/dbraw/zinc/15/58/74/431155874.db2.gz NIEDKFLMMOKDLA-RHSMWYFYSA-N 2 1 315.461 2.843 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667449 431157256 /nfs/dbraw/zinc/15/72/56/431157256.db2.gz AVKBSQAZZXSEJL-KBAYOESNSA-N 2 1 321.509 2.807 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@@H](O)C3)C2)CC1 ZINC000659865815 431157776 /nfs/dbraw/zinc/15/77/76/431157776.db2.gz QJQSEFVMZWIRLL-CEXWTWQISA-N 2 1 308.510 2.981 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@H]([NH3+])C3)cc2)C1 ZINC000662675076 431160420 /nfs/dbraw/zinc/16/04/20/431160420.db2.gz IZTORSVTYXIMIN-BPUTZDHNSA-N 2 1 301.434 2.594 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)[nH+]1 ZINC000659944033 431201058 /nfs/dbraw/zinc/20/10/58/431201058.db2.gz PLYUACHRXMAZDA-ZIAGYGMSSA-N 2 1 311.376 2.548 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1[NH2+]CCC1(C)C)C1CCCCC1 ZINC000662829866 431208619 /nfs/dbraw/zinc/20/86/19/431208619.db2.gz XIAVYXGTUADNFL-INIZCTEOSA-N 2 1 309.498 2.535 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659979499 431220295 /nfs/dbraw/zinc/22/02/95/431220295.db2.gz MJWYYNFIWVRMGR-MSOLQXFVSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000659978047 431221283 /nfs/dbraw/zinc/22/12/83/431221283.db2.gz KPNYWIPBDKZFRB-ZHALLVOQSA-N 2 1 307.526 2.628 20 0 DFADMP COc1ccc(F)c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000646201689 431222512 /nfs/dbraw/zinc/22/25/12/431222512.db2.gz ZLLGAYGYQQUBDZ-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000646201689 431222519 /nfs/dbraw/zinc/22/25/19/431222519.db2.gz ZLLGAYGYQQUBDZ-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000646193914 431223288 /nfs/dbraw/zinc/22/32/88/431223288.db2.gz GWDDJNNQMXROLL-ZTFGCOKTSA-N 2 1 315.461 2.795 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H](OC3CCC3)C2)cc1 ZINC000655948031 431225906 /nfs/dbraw/zinc/22/59/06/431225906.db2.gz WHTFFUMQAMQNLL-APWZRJJASA-N 2 1 318.461 2.771 20 0 DFADMP [NH3+][C@H](CC1CCCCC1)C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663002305 431253515 /nfs/dbraw/zinc/25/35/15/431253515.db2.gz CYFQHXMGGAGLEA-QZTJIDSGSA-N 2 1 321.509 2.522 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653199556 431303971 /nfs/dbraw/zinc/30/39/71/431303971.db2.gz JMGPUPWBAPBUQL-INIZCTEOSA-N 2 1 309.498 2.537 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000656198224 431306643 /nfs/dbraw/zinc/30/66/43/431306643.db2.gz YMJALGGRGORENW-UFYCRDLUSA-N 2 1 315.505 2.929 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000656198224 431306649 /nfs/dbraw/zinc/30/66/49/431306649.db2.gz YMJALGGRGORENW-UFYCRDLUSA-N 2 1 315.505 2.929 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000666645437 431311651 /nfs/dbraw/zinc/31/16/51/431311651.db2.gz SRCQPNQEQBNZNH-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(C3CC3)no2)[C@@H](C)C1 ZINC000660304035 431369830 /nfs/dbraw/zinc/36/98/30/431369830.db2.gz BSACWCVVHPVIRE-WMLDXEAASA-N 2 1 321.465 2.779 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1nnc2n1CCCCC2 ZINC000660261294 431348826 /nfs/dbraw/zinc/34/88/26/431348826.db2.gz JNVJXMNTGHWQSD-CQSZACIVSA-N 2 1 316.453 2.640 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)cc1 ZINC000646651061 431359103 /nfs/dbraw/zinc/35/91/03/431359103.db2.gz QHILJBCJADEIAJ-SFHVURJKSA-N 2 1 317.477 2.790 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000666808167 431365557 /nfs/dbraw/zinc/36/55/57/431365557.db2.gz JHFLWZYKTSAXCR-UHFFFAOYSA-N 3 1 319.493 2.768 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952133 431423412 /nfs/dbraw/zinc/42/34/12/431423412.db2.gz HHFOTQGOCHDXJH-SFHVURJKSA-N 3 1 315.505 2.876 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666952133 431423415 /nfs/dbraw/zinc/42/34/15/431423415.db2.gz HHFOTQGOCHDXJH-SFHVURJKSA-N 2 1 315.505 2.876 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)NC[C@H](C)[NH3+])c1 ZINC000666843197 431379214 /nfs/dbraw/zinc/37/92/14/431379214.db2.gz WVQFZAZQYWBHRP-ZDUSSCGKSA-N 2 1 315.421 2.524 20 0 DFADMP CC(C)=CCC[N@H+](C)C[C@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334546 431385934 /nfs/dbraw/zinc/38/59/34/431385934.db2.gz NMEXJZWEAAXXOB-LJQANCHMSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)=CCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334546 431385940 /nfs/dbraw/zinc/38/59/40/431385940.db2.gz NMEXJZWEAAXXOB-LJQANCHMSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)=CCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334546 431385950 /nfs/dbraw/zinc/38/59/50/431385950.db2.gz NMEXJZWEAAXXOB-LJQANCHMSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)=CCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334546 431385956 /nfs/dbraw/zinc/38/59/56/431385956.db2.gz NMEXJZWEAAXXOB-LJQANCHMSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)=CCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334546 431385961 /nfs/dbraw/zinc/38/59/61/431385961.db2.gz NMEXJZWEAAXXOB-LJQANCHMSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1CN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C[C@@]1(C)C[NH3+] ZINC000653472098 431389789 /nfs/dbraw/zinc/38/97/89/431389789.db2.gz GDGSAUHPCHTGOA-RDTXWAMCSA-N 2 1 317.481 2.524 20 0 DFADMP CC1([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[NH2+]CC1 ZINC000666881157 431393957 /nfs/dbraw/zinc/39/39/57/431393957.db2.gz YGYFNZMUWFZEHY-UHFFFAOYSA-N 2 1 318.852 2.817 20 0 DFADMP Cc1cc(CO)cc(N2CCC(C[NH+]3CCCCCC3)CC2)[nH+]1 ZINC000663390069 431401845 /nfs/dbraw/zinc/40/18/45/431401845.db2.gz YAXPOGDCHNVPEG-UHFFFAOYSA-N 2 1 317.477 2.975 20 0 DFADMP Clc1ccc([C@H](C2CCOCC2)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000653501799 431406059 /nfs/dbraw/zinc/40/60/59/431406059.db2.gz IPBQGXFTQGTWSQ-SOLBZPMBSA-N 2 1 320.864 2.959 20 0 DFADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000656499524 431409336 /nfs/dbraw/zinc/40/93/36/431409336.db2.gz QLWFLEOUFPZLJD-MOPGFXCFSA-N 2 1 324.472 2.652 20 0 DFADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000656499524 431409343 /nfs/dbraw/zinc/40/93/43/431409343.db2.gz QLWFLEOUFPZLJD-MOPGFXCFSA-N 2 1 324.472 2.652 20 0 DFADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656499529 431409715 /nfs/dbraw/zinc/40/97/15/431409715.db2.gz QLWFLEOUFPZLJD-RTBURBONSA-N 2 1 324.472 2.652 20 0 DFADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656499529 431409722 /nfs/dbraw/zinc/40/97/22/431409722.db2.gz QLWFLEOUFPZLJD-RTBURBONSA-N 2 1 324.472 2.652 20 0 DFADMP Brc1cncc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995553 431438981 /nfs/dbraw/zinc/43/89/81/431438981.db2.gz RCSMKZSEXDYRFP-ZDUSSCGKSA-N 2 1 310.239 2.608 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000653573731 431440439 /nfs/dbraw/zinc/44/04/39/431440439.db2.gz LGSMODJNISIBBL-DLBZAZTESA-N 2 1 315.461 2.660 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000653573731 431440444 /nfs/dbraw/zinc/44/04/44/431440444.db2.gz LGSMODJNISIBBL-DLBZAZTESA-N 2 1 315.461 2.660 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2cc3ccccc3[nH]2)C1 ZINC000653573731 431440453 /nfs/dbraw/zinc/44/04/53/431440453.db2.gz LGSMODJNISIBBL-DLBZAZTESA-N 2 1 315.461 2.660 20 0 DFADMP Nc1ccc2c(c1)CCC[C@H]2[NH2+]Cc1nc2c(s1)C[NH2+]CC2 ZINC000663495694 431442385 /nfs/dbraw/zinc/44/23/85/431442385.db2.gz ASQWLDMMPJRWNX-CQSZACIVSA-N 2 1 314.458 2.538 20 0 DFADMP Clc1ccc(CN2CCC([NH2+]CC34CC(C3)C[NH2+]4)CC2)cc1 ZINC000663497304 431443481 /nfs/dbraw/zinc/44/34/81/431443481.db2.gz DJRPNRWEDXBOIW-UHFFFAOYSA-N 2 1 319.880 2.646 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000667039016 431454312 /nfs/dbraw/zinc/45/43/12/431454312.db2.gz GDZXQOQYFNFLOR-DZGCQCFKSA-N 2 1 314.433 2.502 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)s1 ZINC000667041723 431455685 /nfs/dbraw/zinc/45/56/85/431455685.db2.gz LMNPMZWMAKNZDZ-RHSMWYFYSA-N 2 1 323.506 2.985 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1-n1cccn1 ZINC000653604727 431457934 /nfs/dbraw/zinc/45/79/34/431457934.db2.gz VNZVUWHUEMIUQH-HNNXBMFYSA-N 2 1 309.417 2.889 20 0 DFADMP Cn1cncc1CCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000653613414 431459315 /nfs/dbraw/zinc/45/93/15/431459315.db2.gz JMQZAQMDELRNLM-KRWDZBQOSA-N 2 1 303.381 2.645 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000653613414 431459326 /nfs/dbraw/zinc/45/93/26/431459326.db2.gz JMQZAQMDELRNLM-KRWDZBQOSA-N 2 1 303.381 2.645 20 0 DFADMP CC(C)(C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000667059383 431461339 /nfs/dbraw/zinc/46/13/39/431461339.db2.gz UXVKJQAUEKVJSY-MSOLQXFVSA-N 2 1 314.473 2.665 20 0 DFADMP C[N@H+]1CC[C@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660509127 431466634 /nfs/dbraw/zinc/46/66/34/431466634.db2.gz WWVONDOXOGZWTF-RSPOEFSDSA-N 2 1 314.473 2.975 20 0 DFADMP CN(c1ccccc1C[NH+]1CC(C(F)F)C1)C1CC[NH+](C)CC1 ZINC000656689907 431479812 /nfs/dbraw/zinc/47/98/12/431479812.db2.gz CZOIWBVNPOCJHE-UHFFFAOYSA-N 2 1 323.431 2.914 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000663466067 431430611 /nfs/dbraw/zinc/43/06/11/431430611.db2.gz NTMRVZFCPILBCM-RDGPPVDQSA-N 2 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000663466067 431430617 /nfs/dbraw/zinc/43/06/17/431430617.db2.gz NTMRVZFCPILBCM-RDGPPVDQSA-N 2 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000663466067 431430623 /nfs/dbraw/zinc/43/06/23/431430623.db2.gz NTMRVZFCPILBCM-RDGPPVDQSA-N 2 1 305.510 2.571 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000663466067 431430631 /nfs/dbraw/zinc/43/06/31/431430631.db2.gz NTMRVZFCPILBCM-RDGPPVDQSA-N 3 1 305.510 2.571 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000663466067 431430632 /nfs/dbraw/zinc/43/06/32/431430632.db2.gz NTMRVZFCPILBCM-RDGPPVDQSA-N 3 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000663466067 431430639 /nfs/dbraw/zinc/43/06/39/431430639.db2.gz NTMRVZFCPILBCM-RDGPPVDQSA-N 3 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]2CCC[C@@H]21 ZINC000663466067 431430645 /nfs/dbraw/zinc/43/06/45/431430645.db2.gz NTMRVZFCPILBCM-RDGPPVDQSA-N 3 1 305.510 2.571 20 0 DFADMP CC(C)(C)[C@H](CN)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666981169 431431715 /nfs/dbraw/zinc/43/17/15/431431715.db2.gz SMFXWXMMOVIHQR-SFHVURJKSA-N 2 1 319.493 2.624 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666981169 431431723 /nfs/dbraw/zinc/43/17/23/431431723.db2.gz SMFXWXMMOVIHQR-SFHVURJKSA-N 3 1 319.493 2.624 20 0 DFADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466042 431433142 /nfs/dbraw/zinc/43/31/42/431433142.db2.gz NIYAZKXSRCSADB-MOPGFXCFSA-N 2 1 324.509 2.530 20 0 DFADMP COc1cccc(SCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660617364 431517653 /nfs/dbraw/zinc/51/76/53/431517653.db2.gz XITSYYMWCCZWAS-KRWDZBQOSA-N 2 1 306.475 2.815 20 0 DFADMP COc1cccc(SCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660617364 431517656 /nfs/dbraw/zinc/51/76/56/431517656.db2.gz XITSYYMWCCZWAS-KRWDZBQOSA-N 2 1 306.475 2.815 20 0 DFADMP COc1cccc(SCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660617364 431517662 /nfs/dbraw/zinc/51/76/62/431517662.db2.gz XITSYYMWCCZWAS-KRWDZBQOSA-N 2 1 306.475 2.815 20 0 DFADMP COc1cccc(SCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660617364 431517668 /nfs/dbraw/zinc/51/76/68/431517668.db2.gz XITSYYMWCCZWAS-KRWDZBQOSA-N 2 1 306.475 2.815 20 0 DFADMP c1cc2c(c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c1)OCO2 ZINC000656785138 431522762 /nfs/dbraw/zinc/52/27/62/431522762.db2.gz JJYHWBMQUDGMJB-HNNXBMFYSA-N 2 1 302.418 2.627 20 0 DFADMP Cc1cccc2ncc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n21 ZINC000656785935 431523735 /nfs/dbraw/zinc/52/37/35/431523735.db2.gz NNDZLQZECPSWJD-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCSC2)cc1F ZINC000656790365 431525688 /nfs/dbraw/zinc/52/56/88/431525688.db2.gz XQYUWHWXSUWMKC-INWMFGNUSA-N 2 1 324.465 2.623 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647174994 431495026 /nfs/dbraw/zinc/49/50/26/431495026.db2.gz TYYLJEIPKXZHPH-OAHLLOKOSA-N 2 1 316.449 2.810 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)(C)O ZINC000647178530 431495543 /nfs/dbraw/zinc/49/55/43/431495543.db2.gz XJYKLGFHCSTKMG-WBVHZDCISA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)(C)O ZINC000647178530 431495548 /nfs/dbraw/zinc/49/55/48/431495548.db2.gz XJYKLGFHCSTKMG-WBVHZDCISA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647197905 431508364 /nfs/dbraw/zinc/50/83/64/431508364.db2.gz ULVYYVHMOACLOO-JQHSSLGASA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647197905 431508371 /nfs/dbraw/zinc/50/83/71/431508371.db2.gz ULVYYVHMOACLOO-JQHSSLGASA-N 2 1 300.446 2.951 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCC[N@@H+](C)C2CC2)o1 ZINC000647216534 431514259 /nfs/dbraw/zinc/51/42/59/431514259.db2.gz PGIYDMYRLOQILR-UHFFFAOYSA-N 2 1 316.449 2.953 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000647344070 431558664 /nfs/dbraw/zinc/55/86/64/431558664.db2.gz INIVPYLNZLJHGW-AHRSYUTCSA-N 3 1 315.505 2.652 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000647344070 431558669 /nfs/dbraw/zinc/55/86/69/431558669.db2.gz INIVPYLNZLJHGW-AHRSYUTCSA-N 2 1 315.505 2.652 20 0 DFADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665890 431538575 /nfs/dbraw/zinc/53/85/75/431538575.db2.gz YVRANEMKSALUQC-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665890 431538580 /nfs/dbraw/zinc/53/85/80/431538580.db2.gz YVRANEMKSALUQC-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665890 431538584 /nfs/dbraw/zinc/53/85/84/431538584.db2.gz YVRANEMKSALUQC-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665890 431538590 /nfs/dbraw/zinc/53/85/90/431538590.db2.gz YVRANEMKSALUQC-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660662413 431539850 /nfs/dbraw/zinc/53/98/50/431539850.db2.gz KAIKANAVIDGEKM-NAASZUNDSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660662413 431539857 /nfs/dbraw/zinc/53/98/57/431539857.db2.gz KAIKANAVIDGEKM-NAASZUNDSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660662413 431539864 /nfs/dbraw/zinc/53/98/64/431539864.db2.gz KAIKANAVIDGEKM-NAASZUNDSA-N 2 1 315.461 2.911 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCCN([C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC000660664170 431540502 /nfs/dbraw/zinc/54/05/02/431540502.db2.gz QIGDAGXZVINDMJ-VQTJNVASSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCCN([C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000660664170 431540508 /nfs/dbraw/zinc/54/05/08/431540508.db2.gz QIGDAGXZVINDMJ-VQTJNVASSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCCN([C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000660664170 431540515 /nfs/dbraw/zinc/54/05/15/431540515.db2.gz QIGDAGXZVINDMJ-VQTJNVASSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1cccc2c1CC(C)(C)[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2 ZINC000660672063 431546061 /nfs/dbraw/zinc/54/60/61/431546061.db2.gz SKNKMYRLRFIWRF-KRWDZBQOSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1cccc2c1CC(C)(C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2 ZINC000660672063 431546066 /nfs/dbraw/zinc/54/60/66/431546066.db2.gz SKNKMYRLRFIWRF-KRWDZBQOSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1cccc2c1CC(C)(C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2 ZINC000660672063 431546074 /nfs/dbraw/zinc/54/60/74/431546074.db2.gz SKNKMYRLRFIWRF-KRWDZBQOSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1cccc2c1CC(C)(C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2 ZINC000660672063 431546077 /nfs/dbraw/zinc/54/60/77/431546077.db2.gz SKNKMYRLRFIWRF-KRWDZBQOSA-N 2 1 304.478 2.833 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)[C@H](C)C1 ZINC000647314134 431546094 /nfs/dbraw/zinc/54/60/94/431546094.db2.gz YZAFPDATLCXJOG-ILXRZTDVSA-N 2 1 306.475 2.860 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000647314071 431547778 /nfs/dbraw/zinc/54/77/78/431547778.db2.gz MIPRQUQGLSCNGW-KBUPBQIOSA-N 2 1 306.475 2.858 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885248 280240582 /nfs/dbraw/zinc/24/05/82/280240582.db2.gz PPDHOSWGICBHCX-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479435 431602311 /nfs/dbraw/zinc/60/23/11/431602311.db2.gz GSWDHADSCPCJJZ-ROUUACIJSA-N 2 1 316.493 2.890 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479435 431602318 /nfs/dbraw/zinc/60/23/18/431602318.db2.gz GSWDHADSCPCJJZ-ROUUACIJSA-N 2 1 316.493 2.890 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3scnc3C3CC3)C2)C1 ZINC000650707743 431653377 /nfs/dbraw/zinc/65/33/77/431653377.db2.gz MGLRRVKRLOKGBG-KFWWJZLASA-N 2 1 321.490 2.739 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)C1 ZINC000650707008 431653846 /nfs/dbraw/zinc/65/38/46/431653846.db2.gz WUFNUKZMHGNEMZ-LZWOXQAQSA-N 2 1 321.490 2.739 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1F ZINC000650707082 431653955 /nfs/dbraw/zinc/65/39/55/431653955.db2.gz YDBQHQPLNPAWRU-LZLYRXPVSA-N 2 1 306.425 2.852 20 0 DFADMP COCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650707014 431654255 /nfs/dbraw/zinc/65/42/55/431654255.db2.gz WYNVZDMPJBHJBE-FHWLQOOXSA-N 2 1 318.461 2.551 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705868 431654600 /nfs/dbraw/zinc/65/46/00/431654600.db2.gz ZFTOOUFLHNBGAE-JJRVBVJISA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnc(-c3ccccn3)s1)C2 ZINC000650709102 431655582 /nfs/dbraw/zinc/65/55/82/431655582.db2.gz AVOJODZOUCLKQQ-GUYCJALGSA-N 2 1 314.458 2.766 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3ccccn3)s1)C2 ZINC000650709102 431655594 /nfs/dbraw/zinc/65/55/94/431655594.db2.gz AVOJODZOUCLKQQ-GUYCJALGSA-N 2 1 314.458 2.766 20 0 DFADMP Cc1cc(C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])ccc1-n1cncn1 ZINC000650711013 431656034 /nfs/dbraw/zinc/65/60/34/431656034.db2.gz GHVJVOWTMWXUQG-YOEHRIQHSA-N 2 1 313.449 2.525 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000650711200 431656154 /nfs/dbraw/zinc/65/61/54/431656154.db2.gz LJRNXCNGGVPNNS-KBXCAEBGSA-N 3 1 313.449 2.525 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)o1 ZINC000650709858 431656684 /nfs/dbraw/zinc/65/66/84/431656684.db2.gz UBLCPXAZLYDRDE-YJBOKZPZSA-N 2 1 314.433 2.549 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)[C@H]1CC[NH3+] ZINC000650711153 431656882 /nfs/dbraw/zinc/65/68/82/431656882.db2.gz KASFSVDZVASFQO-KSSFIOAISA-N 2 1 316.424 2.961 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@@H]1CC[NH3+] ZINC000650711466 431659482 /nfs/dbraw/zinc/65/94/82/431659482.db2.gz UOGZIGLBNOWPOG-DOTOQJQBSA-N 2 1 302.466 2.631 20 0 DFADMP c1cc2c(nc[nH+]c2N2CCC([NH2+]Cc3ccccc3)CC2)[nH]1 ZINC000663959428 431605148 /nfs/dbraw/zinc/60/51/48/431605148.db2.gz LKWMSIBDLNBMMB-UHFFFAOYSA-N 2 1 307.401 2.717 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)o1 ZINC000647496493 431607485 /nfs/dbraw/zinc/60/74/85/431607485.db2.gz LFVDFNOTKWRRAL-UONOGXRCSA-N 2 1 302.422 2.548 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)CC(C)(C)C[NH3+])c1 ZINC000647505949 431608688 /nfs/dbraw/zinc/60/86/88/431608688.db2.gz SIFMQUFKOUXLME-UHFFFAOYSA-N 2 1 302.422 2.502 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cccc(OCCCOC)c2)CC[C@@H]1[NH3+] ZINC000647498848 431610359 /nfs/dbraw/zinc/61/03/59/431610359.db2.gz RYFLDMXXMMFVHP-AEFFLSMTSA-N 2 1 306.450 2.661 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(C[C@]2(C)CC[NH2+]C2)CC1 ZINC000647513775 431611611 /nfs/dbraw/zinc/61/16/11/431611611.db2.gz CAUHPTSUPBCQDE-LJQANCHMSA-N 2 1 301.478 2.502 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647509237 431612908 /nfs/dbraw/zinc/61/29/08/431612908.db2.gz XAWUUMOMMWHIBK-KBPBESRZSA-N 2 1 318.852 2.754 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2ccc(N)nc2)CC1)CC1CC1 ZINC000647538056 431622139 /nfs/dbraw/zinc/62/21/39/431622139.db2.gz DWWRRDANSFZGPV-UHFFFAOYSA-N 2 1 316.493 2.828 20 0 DFADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542763 431622992 /nfs/dbraw/zinc/62/29/92/431622992.db2.gz BNWGGKISVOBOTC-IRXDYDNUSA-N 2 1 304.482 2.850 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647544198 431623792 /nfs/dbraw/zinc/62/37/92/431623792.db2.gz YBBFBJBZNIDAQR-SJORKVTESA-N 2 1 317.477 2.919 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CC2([NH3+])CCCCC2)o1 ZINC000647546196 431623955 /nfs/dbraw/zinc/62/39/55/431623955.db2.gz DLGNXGVISROAAX-UHFFFAOYSA-N 2 1 302.422 2.740 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543195 431624000 /nfs/dbraw/zinc/62/40/00/431624000.db2.gz JATUUPYLVSZQMW-IRXDYDNUSA-N 2 1 312.461 2.854 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000660840559 431624053 /nfs/dbraw/zinc/62/40/53/431624053.db2.gz YWUONDTXTNODTF-MSOLQXFVSA-N 2 1 304.478 2.956 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C ZINC000660840559 431624061 /nfs/dbraw/zinc/62/40/61/431624061.db2.gz YWUONDTXTNODTF-MSOLQXFVSA-N 2 1 304.478 2.956 20 0 DFADMP COCc1cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647544233 431624420 /nfs/dbraw/zinc/62/44/20/431624420.db2.gz YKKGMRYTXAMPEC-ZIAGYGMSSA-N 2 1 309.479 2.501 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647544094 431624772 /nfs/dbraw/zinc/62/47/72/431624772.db2.gz WRCHNEYOCHDKNX-QZTJIDSGSA-N 2 1 300.446 2.833 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543498 431625162 /nfs/dbraw/zinc/62/51/62/431625162.db2.gz OKLIQTOAZYFURT-IAGOWNOFSA-N 2 1 316.445 2.669 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647542986 431625321 /nfs/dbraw/zinc/62/53/21/431625321.db2.gz FWAQWLFMEYJMTG-IAGOWNOFSA-N 2 1 304.482 2.731 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1F ZINC000660900486 431648327 /nfs/dbraw/zinc/64/83/27/431648327.db2.gz QOSIIYQVMHEPCW-PKOBYXMFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1F ZINC000660900486 431648330 /nfs/dbraw/zinc/64/83/30/431648330.db2.gz QOSIIYQVMHEPCW-PKOBYXMFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000660900486 431648335 /nfs/dbraw/zinc/64/83/35/431648335.db2.gz QOSIIYQVMHEPCW-PKOBYXMFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F ZINC000660900486 431648338 /nfs/dbraw/zinc/64/83/38/431648338.db2.gz QOSIIYQVMHEPCW-PKOBYXMFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000660898567 431650070 /nfs/dbraw/zinc/65/00/70/431650070.db2.gz IBJJKZIGKUBASS-OALUTQOASA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000660898567 431650073 /nfs/dbraw/zinc/65/00/73/431650073.db2.gz IBJJKZIGKUBASS-OALUTQOASA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000660898567 431650075 /nfs/dbraw/zinc/65/00/75/431650075.db2.gz IBJJKZIGKUBASS-OALUTQOASA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000660898567 431650078 /nfs/dbraw/zinc/65/00/78/431650078.db2.gz IBJJKZIGKUBASS-OALUTQOASA-N 2 1 322.468 2.924 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000657308469 431664310 /nfs/dbraw/zinc/66/43/10/431664310.db2.gz ZRQSEFGLEIGFNT-RDJZCZTQSA-N 2 1 318.461 2.674 20 0 DFADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000650720053 431664980 /nfs/dbraw/zinc/66/49/80/431664980.db2.gz DABHGECPOXZWPR-UXHICEINSA-N 3 1 309.457 2.989 20 0 DFADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000650720053 431664985 /nfs/dbraw/zinc/66/49/85/431664985.db2.gz DABHGECPOXZWPR-UXHICEINSA-N 2 1 309.457 2.989 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657311485 431665274 /nfs/dbraw/zinc/66/52/74/431665274.db2.gz LFGPRJHTUKEOHL-HNNXBMFYSA-N 2 1 305.470 2.747 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650721869 431665828 /nfs/dbraw/zinc/66/58/28/431665828.db2.gz DTMVLUJFXQVYLS-YQVWRLOYSA-N 2 1 318.461 2.864 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cnc(C3CC3)s2)C1 ZINC000650723912 431666059 /nfs/dbraw/zinc/66/60/59/431666059.db2.gz VTLNPSPAORHLHM-FVQBIDKESA-N 2 1 321.490 2.881 20 0 DFADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722192 431666540 /nfs/dbraw/zinc/66/65/40/431666540.db2.gz MYHYZXSPCDOUNL-QXAKKESOSA-N 2 1 318.461 2.946 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H]1CNc1cc(N2CCCCC2)ncn1 ZINC000664138243 431667293 /nfs/dbraw/zinc/66/72/93/431667293.db2.gz MPUSGGFKTQEJEC-AWEZNQCLSA-N 2 1 303.454 2.752 20 0 DFADMP COCc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650724137 431669602 /nfs/dbraw/zinc/66/96/02/431669602.db2.gz YQOOQCVMCPSADF-IPMKNSEASA-N 2 1 318.461 2.694 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657313042 431669763 /nfs/dbraw/zinc/66/97/63/431669763.db2.gz GKYKRWAUULMTGY-SZMVWBNQSA-N 2 1 318.461 2.817 20 0 DFADMP Cc1c(Br)cncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657312976 431670364 /nfs/dbraw/zinc/67/03/64/431670364.db2.gz DYMYJLWGYFPCOU-KBPBESRZSA-N 2 1 324.266 2.869 20 0 DFADMP Cc1c(Br)cncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657312976 431670370 /nfs/dbraw/zinc/67/03/70/431670370.db2.gz DYMYJLWGYFPCOU-KBPBESRZSA-N 2 1 324.266 2.869 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000657313040 431671058 /nfs/dbraw/zinc/67/10/58/431671058.db2.gz GKYKRWAUULMTGY-JQHSSLGASA-N 2 1 318.461 2.817 20 0 DFADMP Cc1nc(NCC2CC[NH+](C3CCOCC3)CC2)c(C)c(C)[nH+]1 ZINC000664151112 431673294 /nfs/dbraw/zinc/67/32/94/431673294.db2.gz PAQAMNUGLVDKHV-UHFFFAOYSA-N 2 1 318.465 2.705 20 0 DFADMP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+][C@H](C)C[NH+](CC)CC)cn1 ZINC000657346513 431689470 /nfs/dbraw/zinc/68/94/70/431689470.db2.gz FBQDBLJDHLHMOE-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP c1ccc2c(c1)CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C2 ZINC000647793995 431689526 /nfs/dbraw/zinc/68/95/26/431689526.db2.gz NZAXGNKUEZEUBO-QLIIJSOBSA-N 2 1 314.473 2.538 20 0 DFADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000647800398 431691401 /nfs/dbraw/zinc/69/14/01/431691401.db2.gz ANUPVGXJWSKWKT-RHQZKXFESA-N 2 1 300.446 2.537 20 0 DFADMP Cc1ccc2ncnc(N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000664195746 431693812 /nfs/dbraw/zinc/69/38/12/431693812.db2.gz DRQQEOJNJMFQLH-HNNXBMFYSA-N 2 1 315.465 2.622 20 0 DFADMP Cc1ccc2ncnc(N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000664195746 431693816 /nfs/dbraw/zinc/69/38/16/431693816.db2.gz DRQQEOJNJMFQLH-HNNXBMFYSA-N 2 1 315.465 2.622 20 0 DFADMP CC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000657359717 431700891 /nfs/dbraw/zinc/70/08/91/431700891.db2.gz XOQCGUSYIIUVNB-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2cccc(-c3cccnc3)c2)C[C@H]1C[NH3+] ZINC000650715053 431663435 /nfs/dbraw/zinc/66/34/35/431663435.db2.gz NEFCYULJRVUCFY-RTBURBONSA-N 2 1 311.429 2.544 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)ccc1F ZINC000650722811 431664062 /nfs/dbraw/zinc/66/40/62/431664062.db2.gz BSNNXWFBGPXBSL-KBAYOESNSA-N 2 1 306.425 2.995 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901736 431724384 /nfs/dbraw/zinc/72/43/84/431724384.db2.gz UOUBRQMOKABDBB-APWZRJJASA-N 2 1 318.461 2.928 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2SC)CC[C@H]1[NH3+] ZINC000647938302 431739913 /nfs/dbraw/zinc/73/99/13/431739913.db2.gz JHRVZKJKPXMLSW-UONOGXRCSA-N 2 1 321.490 2.796 20 0 DFADMP CCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](CC)C1 ZINC000664340422 431740297 /nfs/dbraw/zinc/74/02/97/431740297.db2.gz IODSBDHWKGSLHH-QGZVFWFLSA-N 2 1 318.465 2.696 20 0 DFADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC[C@H]1[NH3+] ZINC000647938861 431741174 /nfs/dbraw/zinc/74/11/74/431741174.db2.gz WFRZGMVTFHIVCK-YFHUEUNASA-N 2 1 317.477 2.620 20 0 DFADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@H](C)c2ccccc2C)CC[C@H]1[NH3+] ZINC000647938861 431741182 /nfs/dbraw/zinc/74/11/82/431741182.db2.gz WFRZGMVTFHIVCK-YFHUEUNASA-N 2 1 317.477 2.620 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCc2ccc(C)cc2)CC1 ZINC000647956510 431746005 /nfs/dbraw/zinc/74/60/05/431746005.db2.gz WJQHFROYCWYHKW-HXUWFJFHSA-N 2 1 318.505 2.952 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000661137533 431746601 /nfs/dbraw/zinc/74/66/01/431746601.db2.gz QEQDEKHEBJACFS-ZWKOTPCHSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000661137533 431746603 /nfs/dbraw/zinc/74/66/03/431746603.db2.gz QEQDEKHEBJACFS-ZWKOTPCHSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000661137533 431746604 /nfs/dbraw/zinc/74/66/04/431746604.db2.gz QEQDEKHEBJACFS-ZWKOTPCHSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000661137533 431746606 /nfs/dbraw/zinc/74/66/06/431746606.db2.gz QEQDEKHEBJACFS-ZWKOTPCHSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000661137533 431746608 /nfs/dbraw/zinc/74/66/08/431746608.db2.gz QEQDEKHEBJACFS-ZWKOTPCHSA-N 2 1 302.462 2.895 20 0 DFADMP C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429245 431747068 /nfs/dbraw/zinc/74/70/68/431747068.db2.gz HCSINBPCHCMZOY-GJZGRUSLSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429245 431747074 /nfs/dbraw/zinc/74/70/74/431747074.db2.gz HCSINBPCHCMZOY-GJZGRUSLSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429192 431747387 /nfs/dbraw/zinc/74/73/87/431747387.db2.gz DSOJNRWBWHSJPJ-WMZOPIPTSA-N 2 1 324.472 2.830 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)n1C ZINC000657433654 431750107 /nfs/dbraw/zinc/75/01/07/431750107.db2.gz YDAPEQSHEBEXJB-DFQSSKMNSA-N 2 1 324.472 2.729 20 0 DFADMP Cc1cc(N2CC[C@H]([N@H+](C)CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000664364544 431752292 /nfs/dbraw/zinc/75/22/92/431752292.db2.gz SLYJNAITZSTAOG-SFHVURJKSA-N 2 1 310.445 2.847 20 0 DFADMP Cc1cc(N2CC[C@H]([N@@H+](C)CCc3ccccc3)C2)nc(C)[nH+]1 ZINC000664364544 431752300 /nfs/dbraw/zinc/75/23/00/431752300.db2.gz SLYJNAITZSTAOG-SFHVURJKSA-N 2 1 310.445 2.847 20 0 DFADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975187 431760880 /nfs/dbraw/zinc/76/08/80/431760880.db2.gz PCHPANYCNQDHKK-IAGOWNOFSA-N 2 1 315.461 2.645 20 0 DFADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975186 431761082 /nfs/dbraw/zinc/76/10/82/431761082.db2.gz PCHPANYCNQDHKK-DLBZAZTESA-N 2 1 315.461 2.645 20 0 DFADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647976908 431762723 /nfs/dbraw/zinc/76/27/23/431762723.db2.gz VYDFFCFDQHXQQX-IXDOHACOSA-N 2 1 321.509 2.535 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883383 431715850 /nfs/dbraw/zinc/71/58/50/431715850.db2.gz MUFCMGWAATWTLY-SJLPKXTDSA-N 2 1 323.525 2.783 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cnn3c2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000657388698 431721858 /nfs/dbraw/zinc/72/18/58/431721858.db2.gz OSLZLRMGALVXCC-QFBILLFUSA-N 2 1 324.472 2.972 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cnn3c2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000657388698 431721862 /nfs/dbraw/zinc/72/18/62/431721862.db2.gz OSLZLRMGALVXCC-QFBILLFUSA-N 2 1 324.472 2.972 20 0 DFADMP c1ccc(OCCOCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901493 431723065 /nfs/dbraw/zinc/72/30/65/431723065.db2.gz PTBLMONZFCHGPW-MJGOQNOKSA-N 2 1 318.461 2.546 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072119 431807434 /nfs/dbraw/zinc/80/74/34/431807434.db2.gz MKDYXQXWUJXWCZ-INIZCTEOSA-N 2 1 320.452 2.943 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000657561341 431809099 /nfs/dbraw/zinc/80/90/99/431809099.db2.gz FUQMRPJUZCVXSF-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](C(C)(C)C)C1 ZINC000657561341 431809104 /nfs/dbraw/zinc/80/91/04/431809104.db2.gz FUQMRPJUZCVXSF-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561341 431809107 /nfs/dbraw/zinc/80/91/07/431809107.db2.gz FUQMRPJUZCVXSF-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561341 431809110 /nfs/dbraw/zinc/80/91/10/431809110.db2.gz FUQMRPJUZCVXSF-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000657562912 431810593 /nfs/dbraw/zinc/81/05/93/431810593.db2.gz KSPUJSFWBZIIIG-CQSZACIVSA-N 2 1 321.431 2.866 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000657562912 431810597 /nfs/dbraw/zinc/81/05/97/431810597.db2.gz KSPUJSFWBZIIIG-CQSZACIVSA-N 2 1 321.431 2.866 20 0 DFADMP c1cc(C[NH2+]CCCCC[NH+]2CCCC2)n(-c2ccncc2)n1 ZINC000657474475 431770962 /nfs/dbraw/zinc/77/09/62/431770962.db2.gz KOZVWROLFYFZGL-UHFFFAOYSA-N 2 1 313.449 2.623 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000657470230 431772892 /nfs/dbraw/zinc/77/28/92/431772892.db2.gz PKNUKRTWVHNTMV-XYJFISCASA-N 2 1 322.497 2.598 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000657470230 431772900 /nfs/dbraw/zinc/77/29/00/431772900.db2.gz PKNUKRTWVHNTMV-XYJFISCASA-N 2 1 322.497 2.598 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000657483240 431778146 /nfs/dbraw/zinc/77/81/46/431778146.db2.gz NHUBAYRAMJSJGG-CCNLRDMRSA-N 2 1 318.461 2.815 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000648137346 431823978 /nfs/dbraw/zinc/82/39/78/431823978.db2.gz SXXYQEGPNUZKHD-HNNXBMFYSA-N 2 1 320.481 2.764 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000648146708 431825800 /nfs/dbraw/zinc/82/58/00/431825800.db2.gz ZOUOGZXIZDDMFY-ZDUSSCGKSA-N 2 1 300.406 2.755 20 0 DFADMP c1ccc([C@@H]2CO[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657657130 431834228 /nfs/dbraw/zinc/83/42/28/431834228.db2.gz WBMDWUHOMFLKGH-OKYOBFRVSA-N 2 1 300.446 2.776 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H](C)C2 ZINC000180468008 281091916 /nfs/dbraw/zinc/09/19/16/281091916.db2.gz DXVBDXTYJKCFDY-XLIONFOSSA-N 2 1 315.505 2.846 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1C ZINC000363413397 289091200 /nfs/dbraw/zinc/09/12/00/289091200.db2.gz BTENVWWMFPSURF-NUJGCVRESA-N 2 1 315.461 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1C ZINC000363413397 289091201 /nfs/dbraw/zinc/09/12/01/289091201.db2.gz BTENVWWMFPSURF-NUJGCVRESA-N 2 1 315.461 2.623 20 0 DFADMP O[C@H](C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccc(Cl)cc1 ZINC000363414594 289092465 /nfs/dbraw/zinc/09/24/65/289092465.db2.gz PFJUZDPCYRSPJS-LAVFITLUSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccc(Cl)cc1 ZINC000363414594 289092468 /nfs/dbraw/zinc/09/24/68/289092468.db2.gz PFJUZDPCYRSPJS-LAVFITLUSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccc(Cl)cc1 ZINC000363414594 289092472 /nfs/dbraw/zinc/09/24/72/289092472.db2.gz PFJUZDPCYRSPJS-LAVFITLUSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccc(Cl)cc1 ZINC000363414594 289092475 /nfs/dbraw/zinc/09/24/75/289092475.db2.gz PFJUZDPCYRSPJS-LAVFITLUSA-N 2 1 320.864 2.790 20 0 DFADMP C[C@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247451393 289272676 /nfs/dbraw/zinc/27/26/76/289272676.db2.gz ZDVVPEJALHRUHY-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000276826270 289272787 /nfs/dbraw/zinc/27/27/87/289272787.db2.gz HTQXJILQALDFTH-QGZVFWFLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H](C(=O)NC1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357015201 289344276 /nfs/dbraw/zinc/34/42/76/289344276.db2.gz OVFURNXWNKZGNE-JKSUJKDBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([S@@](C)=O)cc1 ZINC000268766997 290019120 /nfs/dbraw/zinc/01/91/20/290019120.db2.gz JTFYFMRKPLXUGH-WRUKREGBSA-N 2 1 306.475 2.701 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353635274 290224548 /nfs/dbraw/zinc/22/45/48/290224548.db2.gz ZJMLAYUHIPFFIA-LTIDMASMSA-N 2 1 324.534 2.894 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437102891 297054646 /nfs/dbraw/zinc/05/46/46/297054646.db2.gz ZVADEMHJLRQDPP-AEFFLSMTSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437102891 297054649 /nfs/dbraw/zinc/05/46/49/297054649.db2.gz ZVADEMHJLRQDPP-AEFFLSMTSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361348301 297072446 /nfs/dbraw/zinc/07/24/46/297072446.db2.gz JIDJWBGVDUFDBL-RSPOEFSDSA-N 2 1 313.489 2.500 20 0 DFADMP C[C@@H](C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1)c1ccc(F)cc1 ZINC000438107292 297080396 /nfs/dbraw/zinc/08/03/96/297080396.db2.gz UUIANEARUHGLIJ-GJZGRUSLSA-N 2 1 308.441 2.706 20 0 DFADMP C[C@@H](C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1)c1ccc(F)cc1 ZINC000438107292 297080398 /nfs/dbraw/zinc/08/03/98/297080398.db2.gz UUIANEARUHGLIJ-GJZGRUSLSA-N 2 1 308.441 2.706 20 0 DFADMP C[N@@H+](CC[C@@H]1CCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112029 297080779 /nfs/dbraw/zinc/08/07/79/297080779.db2.gz YCFXZFIMGGMXDU-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438112029 297080781 /nfs/dbraw/zinc/08/07/81/297080781.db2.gz YCFXZFIMGGMXDU-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438112029 297080784 /nfs/dbraw/zinc/08/07/84/297080784.db2.gz YCFXZFIMGGMXDU-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP Fc1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000261928091 294739719 /nfs/dbraw/zinc/73/97/19/294739719.db2.gz LHPMGGOCGAQKKU-KURKYZTESA-N 2 1 318.436 2.604 20 0 DFADMP CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCCCC1 ZINC000494881659 299886400 /nfs/dbraw/zinc/88/64/00/299886400.db2.gz HIFFRGJPMPTMBF-INIZCTEOSA-N 2 1 321.509 2.822 20 0 DFADMP COc1ccc([C@@H]2[C@H](C[NH2+]CC3(C)COC3)CCC[N@@H+]2C)cc1 ZINC000375740225 295232836 /nfs/dbraw/zinc/23/28/36/295232836.db2.gz FBADFPBDNUWCDV-FUHWJXTLSA-N 2 1 318.461 2.704 20 0 DFADMP COc1ccc([C@@H]2[C@H](C[NH2+]CC3(C)COC3)CCC[N@H+]2C)cc1 ZINC000375740225 295232837 /nfs/dbraw/zinc/23/28/37/295232837.db2.gz FBADFPBDNUWCDV-FUHWJXTLSA-N 2 1 318.461 2.704 20 0 DFADMP C[C@@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C[N@H+]1C1CC1 ZINC000157547673 295349838 /nfs/dbraw/zinc/34/98/38/295349838.db2.gz YOVJSIVZEPOSLO-NVXWUHKLSA-N 2 1 305.510 2.998 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C(=O)NC(C)C)cc1 ZINC000411473877 295541557 /nfs/dbraw/zinc/54/15/57/295541557.db2.gz KXJZGXJGPWUHSS-KBPBESRZSA-N 2 1 314.433 2.744 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC[C@@H]2CCOC2)cc1F ZINC000438207011 297084680 /nfs/dbraw/zinc/08/46/80/297084680.db2.gz ZFUUDMRXLSBNCJ-CQSZACIVSA-N 2 1 303.381 2.836 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438567816 297099077 /nfs/dbraw/zinc/09/90/77/297099077.db2.gz OIZVTBVDGZKFIB-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438567816 297099080 /nfs/dbraw/zinc/09/90/80/297099080.db2.gz OIZVTBVDGZKFIB-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438567816 297099083 /nfs/dbraw/zinc/09/90/83/297099083.db2.gz OIZVTBVDGZKFIB-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)sc2C1 ZINC000438907433 297106377 /nfs/dbraw/zinc/10/63/77/297106377.db2.gz OBSHTVCXFJKURK-CFVMTHIKSA-N 2 1 321.490 2.567 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3C[C@@H]4OCCC[C@@H]34)sc2C1 ZINC000438907433 297106379 /nfs/dbraw/zinc/10/63/79/297106379.db2.gz OBSHTVCXFJKURK-CFVMTHIKSA-N 2 1 321.490 2.567 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH2+]C(C)(C)C)cc1)C1CC1 ZINC000439503841 297129516 /nfs/dbraw/zinc/12/95/16/297129516.db2.gz ZWMQFWWMMOERII-UHFFFAOYSA-N 2 1 317.477 2.789 20 0 DFADMP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439963702 297141328 /nfs/dbraw/zinc/14/13/28/297141328.db2.gz VFFPPWLNIXSLFP-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440256782 297148902 /nfs/dbraw/zinc/14/89/02/297148902.db2.gz CXQBIKJQWSCHBY-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP OC[C@]1([NH2+]CCC[NH+]2CCCCC2)CCCc2ccccc21 ZINC000440818292 297166461 /nfs/dbraw/zinc/16/64/61/297166461.db2.gz JECCZFFXZPNFOM-LJQANCHMSA-N 2 1 302.462 2.676 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cnc(C3CCC3)s2)CC1(C)C ZINC000441324669 297179741 /nfs/dbraw/zinc/17/97/41/297179741.db2.gz APWFRHYDVKTAKQ-UHFFFAOYSA-N 2 1 322.522 2.526 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2coc3ccccc23)CC1(C)C ZINC000441332507 297180092 /nfs/dbraw/zinc/18/00/92/297180092.db2.gz QLBBWSNGJHGSGV-UHFFFAOYSA-N 2 1 301.434 2.548 20 0 DFADMP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC000441515053 297185335 /nfs/dbraw/zinc/18/53/35/297185335.db2.gz VQQFLIBAEKNLRI-KRWDZBQOSA-N 2 1 317.477 2.542 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000442758843 297204478 /nfs/dbraw/zinc/20/44/78/297204478.db2.gz JUEMEOLMNFLEHT-LSDHHAIUSA-N 2 1 310.445 2.530 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000442758843 297204479 /nfs/dbraw/zinc/20/44/79/297204479.db2.gz JUEMEOLMNFLEHT-LSDHHAIUSA-N 2 1 310.445 2.530 20 0 DFADMP COc1ccc(-c2cnc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)o2)cc1 ZINC000442755038 297204667 /nfs/dbraw/zinc/20/46/67/297204667.db2.gz BNWKXJOCGDXDPM-QWHCGFSZSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)o2)cc1 ZINC000442755038 297204669 /nfs/dbraw/zinc/20/46/69/297204669.db2.gz BNWKXJOCGDXDPM-QWHCGFSZSA-N 2 1 301.390 2.519 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442774744 297205364 /nfs/dbraw/zinc/20/53/64/297205364.db2.gz AVCBFPMTANZETN-JZXOWHBKSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccccc1 ZINC000442774744 297205366 /nfs/dbraw/zinc/20/53/66/297205366.db2.gz AVCBFPMTANZETN-JZXOWHBKSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442877486 297209243 /nfs/dbraw/zinc/20/92/43/297209243.db2.gz URLQZPSBLREVIE-ZDUSSCGKSA-N 2 1 309.420 2.723 20 0 DFADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000442875240 297209345 /nfs/dbraw/zinc/20/93/45/297209345.db2.gz NOMASVLBNQXQDZ-KRWDZBQOSA-N 2 1 319.493 2.762 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000443055732 297213561 /nfs/dbraw/zinc/21/35/61/297213561.db2.gz BMOYRRYDZMLSNZ-INIZCTEOSA-N 2 1 324.472 2.922 20 0 DFADMP CSc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058077 297213797 /nfs/dbraw/zinc/21/37/97/297213797.db2.gz JAEDOUACMNGOEK-UONOGXRCSA-N 2 1 321.490 2.796 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000443060631 297214424 /nfs/dbraw/zinc/21/44/24/297214424.db2.gz PKDPOWOUQQEGSB-QGZVFWFLSA-N 2 1 309.498 2.524 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443061952 297214507 /nfs/dbraw/zinc/21/45/07/297214507.db2.gz SOWLMBTWVLSRKO-HOTGVXAUSA-N 2 1 303.450 2.691 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075146 297215384 /nfs/dbraw/zinc/21/53/84/297215384.db2.gz QYPCDGYSZJWZHV-CZUORRHYSA-N 2 1 321.852 2.506 20 0 DFADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@@H](CC[NH3+])C2)no1 ZINC000443079357 297215739 /nfs/dbraw/zinc/21/57/39/297215739.db2.gz ZGFNMKMIFLMZEH-AWEZNQCLSA-N 2 1 300.406 2.606 20 0 DFADMP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)no1 ZINC000443079357 297215740 /nfs/dbraw/zinc/21/57/40/297215740.db2.gz ZGFNMKMIFLMZEH-AWEZNQCLSA-N 2 1 300.406 2.606 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000444620385 297241971 /nfs/dbraw/zinc/24/19/71/297241971.db2.gz UGIOJRMGWSMFDN-KRWDZBQOSA-N 2 1 317.477 2.528 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC[N@H+]1CCCC(C)(C)C1)c1ccccc1 ZINC000444620385 297241973 /nfs/dbraw/zinc/24/19/73/297241973.db2.gz UGIOJRMGWSMFDN-KRWDZBQOSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@H]1C ZINC000444670161 297244126 /nfs/dbraw/zinc/24/41/26/297244126.db2.gz FIIUEDKABDVIHX-CRAIPNDOSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C2CCCC2)cc1 ZINC000446889896 297289565 /nfs/dbraw/zinc/28/95/65/297289565.db2.gz DAEXSUNDHPHSRN-MOPGFXCFSA-N 2 1 302.462 2.883 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C2CCCC2)cc1 ZINC000446889896 297289568 /nfs/dbraw/zinc/28/95/68/297289568.db2.gz DAEXSUNDHPHSRN-MOPGFXCFSA-N 2 1 302.462 2.883 20 0 DFADMP CCC[C@@]1(CO)CCC[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000446906807 297290041 /nfs/dbraw/zinc/29/00/41/297290041.db2.gz RQTYXVRKVQTECZ-SFHVURJKSA-N 2 1 314.433 2.703 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603794 297310775 /nfs/dbraw/zinc/31/07/75/297310775.db2.gz XSRTWAQJFREQBA-JAQSECSASA-N 2 1 302.462 2.931 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)nnn2CC)CC1 ZINC000449007720 297389987 /nfs/dbraw/zinc/38/99/87/297389987.db2.gz AZPWNDZNXGOPRY-UHFFFAOYSA-N 2 1 307.486 2.550 20 0 DFADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccncc3F)CC2)C[C@H](C)O1 ZINC000449022189 297392653 /nfs/dbraw/zinc/39/26/53/297392653.db2.gz XAABTWHZLRVTNT-GASCZTMLSA-N 2 1 321.440 2.542 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccncc3F)CC2)C[C@H](C)O1 ZINC000449022189 297392654 /nfs/dbraw/zinc/39/26/54/297392654.db2.gz XAABTWHZLRVTNT-GASCZTMLSA-N 2 1 321.440 2.542 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCOCC4)C3)c2c1 ZINC000450360276 297618549 /nfs/dbraw/zinc/61/85/49/297618549.db2.gz ZHADHJHTNMBPSR-MRXNPFEDSA-N 2 1 311.429 2.708 20 0 DFADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453108212 298062042 /nfs/dbraw/zinc/06/20/42/298062042.db2.gz JNKAHABANTXODC-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)[NH+](C)C ZINC000453117706 298063808 /nfs/dbraw/zinc/06/38/08/298063808.db2.gz ZNQQIKQNXSKDQL-AFYVEPGGSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)N(C)C ZINC000453117706 298063812 /nfs/dbraw/zinc/06/38/12/298063812.db2.gz ZNQQIKQNXSKDQL-AFYVEPGGSA-N 2 1 315.505 2.969 20 0 DFADMP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453118964 298063870 /nfs/dbraw/zinc/06/38/70/298063870.db2.gz VOCAYZJVHHXCHS-KZNAEPCWSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)[NH+](C)C ZINC000453117710 298064018 /nfs/dbraw/zinc/06/40/18/298064018.db2.gz ZNQQIKQNXSKDQL-GSEOLPGOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)N(C)C ZINC000453117710 298064023 /nfs/dbraw/zinc/06/40/23/298064023.db2.gz ZNQQIKQNXSKDQL-GSEOLPGOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453124710 298065114 /nfs/dbraw/zinc/06/51/14/298065114.db2.gz OWTZUMMTUIKCBY-AITUJVMLSA-N 2 1 302.462 2.790 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453174786 298068683 /nfs/dbraw/zinc/06/86/83/298068683.db2.gz PAGMJJVZKLPERZ-UFYCRDLUSA-N 2 1 313.489 2.725 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453260200 298077620 /nfs/dbraw/zinc/07/76/20/298077620.db2.gz CSYKJZATJNSNNU-NHYWBVRUSA-N 2 1 300.805 2.788 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453304181 298081609 /nfs/dbraw/zinc/08/16/09/298081609.db2.gz FHRBBKQJMNVVGZ-IAQYHMDHSA-N 2 1 300.805 2.788 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(Cl)c(F)c1 ZINC000453304182 298081808 /nfs/dbraw/zinc/08/18/08/298081808.db2.gz FHRBBKQJMNVVGZ-NHYWBVRUSA-N 2 1 300.805 2.788 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCN(Cc2ccccn2)CC1)C1CC1 ZINC000453397823 298090024 /nfs/dbraw/zinc/09/00/24/298090024.db2.gz KAYGXUHBSABNLG-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CCCC[N@@H+](C)C2CC2)CC1 ZINC000453406962 298090926 /nfs/dbraw/zinc/09/09/26/298090926.db2.gz RPTBUPNPUSWUHS-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H]2CCCCN12 ZINC000453444135 298096816 /nfs/dbraw/zinc/09/68/16/298096816.db2.gz OBCLLZRIXAMWIX-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1C ZINC000453455225 298097356 /nfs/dbraw/zinc/09/73/56/298097356.db2.gz UNANXVPYBQBFOW-WTGUMLROSA-N 2 1 316.489 2.669 20 0 DFADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000496165180 300024628 /nfs/dbraw/zinc/02/46/28/300024628.db2.gz GXXZJMCJWSNJOE-LSDHHAIUSA-N 2 1 317.433 2.636 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000496631144 300090436 /nfs/dbraw/zinc/09/04/36/300090436.db2.gz GNQUYUFDPJYDGH-CQSZACIVSA-N 2 1 317.433 2.955 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496919281 300132769 /nfs/dbraw/zinc/13/27/69/300132769.db2.gz KMEHKFUJFOUVHA-DZGCQCFKSA-N 2 1 305.422 2.667 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496919282 300132839 /nfs/dbraw/zinc/13/28/39/300132839.db2.gz KMEHKFUJFOUVHA-HIFRSBDPSA-N 2 1 305.422 2.667 20 0 DFADMP COC(=O)N1CCC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000496955018 300137786 /nfs/dbraw/zinc/13/77/86/300137786.db2.gz KPKZHDWNASFFBA-KRWDZBQOSA-N 2 1 323.481 2.604 20 0 DFADMP CC[NH+](CC)C[C@@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497034090 300150671 /nfs/dbraw/zinc/15/06/71/300150671.db2.gz JNRBCZJRNJZTFY-ZIAGYGMSSA-N 2 1 313.486 2.562 20 0 DFADMP Cn1nccc1[C@H]1CCCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000514730200 300268812 /nfs/dbraw/zinc/26/88/12/300268812.db2.gz QJJIWXSMXQTGFC-LJQANCHMSA-N 2 1 310.445 2.793 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000514830129 300273158 /nfs/dbraw/zinc/27/31/58/300273158.db2.gz UGIJYSYCDGZUGL-HSBZDZAISA-N 2 1 310.404 2.932 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000514830129 300273160 /nfs/dbraw/zinc/27/31/60/300273160.db2.gz UGIJYSYCDGZUGL-HSBZDZAISA-N 2 1 310.404 2.932 20 0 DFADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)C1 ZINC000514851231 300275014 /nfs/dbraw/zinc/27/50/14/300275014.db2.gz XQTVTMVHGFRPHI-HOCLYGCPSA-N 2 1 321.490 2.739 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CC1Cc2ccccc2C1 ZINC000515099666 300289831 /nfs/dbraw/zinc/28/98/31/300289831.db2.gz NROVFFAMHAFDPP-VAMGGRTRSA-N 2 1 314.473 2.585 20 0 DFADMP CCCN(Cc1nc(C(C)(C)N)no1)Cc1ccc(C)cc1 ZINC000515846449 300322829 /nfs/dbraw/zinc/32/28/29/300322829.db2.gz YOFMIJDWVDBFAV-UHFFFAOYSA-N 2 1 302.422 2.984 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2CCCCC2)CC1 ZINC000516207725 300335076 /nfs/dbraw/zinc/33/50/76/300335076.db2.gz FXXGEPODCMOGKN-UHFFFAOYSA-N 2 1 316.449 2.742 20 0 DFADMP CC[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769169 300359464 /nfs/dbraw/zinc/35/94/64/300359464.db2.gz SPQSPVBMUOUCCZ-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769169 300359466 /nfs/dbraw/zinc/35/94/66/300359466.db2.gz SPQSPVBMUOUCCZ-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769169 300359469 /nfs/dbraw/zinc/35/94/69/300359469.db2.gz SPQSPVBMUOUCCZ-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516932078 300370375 /nfs/dbraw/zinc/37/03/75/300370375.db2.gz AIYODCVBARFQPD-BVBHFADKSA-N 2 1 304.478 2.818 20 0 DFADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000516977901 300374913 /nfs/dbraw/zinc/37/49/13/300374913.db2.gz DHZZOAPXEKTCNX-BBWFWOEESA-N 2 1 305.466 2.878 20 0 DFADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000516977901 300374916 /nfs/dbraw/zinc/37/49/16/300374916.db2.gz DHZZOAPXEKTCNX-BBWFWOEESA-N 2 1 305.466 2.878 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000517230090 300388694 /nfs/dbraw/zinc/38/86/94/300388694.db2.gz XVCHVLIWLGCKNP-PBHICJAKSA-N 2 1 303.450 2.819 20 0 DFADMP C[C@@H]1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000525024665 300591150 /nfs/dbraw/zinc/59/11/50/300591150.db2.gz YVOMXPRAZVAMKX-CABCVRRESA-N 2 1 316.449 2.598 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCC1 ZINC000525981029 300615775 /nfs/dbraw/zinc/61/57/75/300615775.db2.gz FRWIRGAQALEEKO-HOCLYGCPSA-N 2 1 307.507 2.815 20 0 DFADMP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000527782843 300689723 /nfs/dbraw/zinc/68/97/23/300689723.db2.gz KCQIPMQUGQYUGI-MOPGFXCFSA-N 2 1 320.452 2.990 20 0 DFADMP c1cc2[nH+]ccc(N3CCC(CO[C@H]4CC[NH2+]C4)CC3)c2s1 ZINC000530178417 301026227 /nfs/dbraw/zinc/02/62/27/301026227.db2.gz IRUBBJZHTHNZQR-AWEZNQCLSA-N 2 1 317.458 2.891 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c1 ZINC000530178781 301026328 /nfs/dbraw/zinc/02/63/28/301026328.db2.gz RAMBEFNEWCTKAD-GDBMZVCRSA-N 2 1 301.434 2.586 20 0 DFADMP CC[N@@H+](C[C@@H](Cc1ccc(F)cc1)OC)[C@H]1CCC[NH2+]CC1 ZINC000530219449 301031008 /nfs/dbraw/zinc/03/10/08/301031008.db2.gz PPILBSZHYLSLSV-ZWKOTPCHSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728252 301106764 /nfs/dbraw/zinc/10/67/64/301106764.db2.gz KMOOMZDTRPFIOR-HBFSDRIKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728252 301106767 /nfs/dbraw/zinc/10/67/67/301106767.db2.gz KMOOMZDTRPFIOR-HBFSDRIKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000531728252 301106770 /nfs/dbraw/zinc/10/67/70/301106770.db2.gz KMOOMZDTRPFIOR-HBFSDRIKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccoc1 ZINC000531931963 301119352 /nfs/dbraw/zinc/11/93/52/301119352.db2.gz ZSTBWOMVBPKODI-GOEBONIOSA-N 2 1 319.474 2.980 20 0 DFADMP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1OC ZINC000531955354 301121054 /nfs/dbraw/zinc/12/10/54/301121054.db2.gz OWIWSCRLZBNJNZ-IIAWOOMASA-N 2 1 306.450 2.565 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980907 301123478 /nfs/dbraw/zinc/12/34/78/301123478.db2.gz GNFFXRRQTNDOKH-IOASZLSFSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980907 301123480 /nfs/dbraw/zinc/12/34/80/301123480.db2.gz GNFFXRRQTNDOKH-IOASZLSFSA-N 2 1 307.413 2.615 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000532197347 301135930 /nfs/dbraw/zinc/13/59/30/301135930.db2.gz HEHRLEAGXOGMCP-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP C[C@H]1CC[C@H](CC(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000532345002 301146347 /nfs/dbraw/zinc/14/63/47/301146347.db2.gz BLKPZNFVIIGJME-GJZGRUSLSA-N 2 1 316.449 2.598 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505384 301156774 /nfs/dbraw/zinc/15/67/74/301156774.db2.gz DFFGKRUMMWLPIW-UONOGXRCSA-N 2 1 301.434 2.564 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506872 301157152 /nfs/dbraw/zinc/15/71/52/301157152.db2.gz XPILRHKBRGNMRD-IAGOWNOFSA-N 2 1 317.477 2.516 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532525264 301158419 /nfs/dbraw/zinc/15/84/19/301158419.db2.gz ITXQEDKHYWRWLT-JYJNAYRXSA-N 2 1 303.450 2.784 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532525264 301158421 /nfs/dbraw/zinc/15/84/21/301158421.db2.gz ITXQEDKHYWRWLT-JYJNAYRXSA-N 2 1 303.450 2.784 20 0 DFADMP CCC(CC)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000533267525 301193979 /nfs/dbraw/zinc/19/39/79/301193979.db2.gz VVAIBMLHXGEUGT-UHFFFAOYSA-N 2 1 309.498 2.628 20 0 DFADMP C[NH+]1CCN(CCCC[NH2+][C@H]2CCc3c2c(F)ccc3F)CC1 ZINC000533581888 301209241 /nfs/dbraw/zinc/20/92/41/301209241.db2.gz FLGKDYYXPLBLQO-KRWDZBQOSA-N 2 1 323.431 2.569 20 0 DFADMP O[C@H](C[NH2+][C@H]1CCCc2ccc(Cl)cc21)C[NH+]1CCCC1 ZINC000534974397 301240727 /nfs/dbraw/zinc/24/07/27/301240727.db2.gz NKMRGOCULPOPKK-WBVHZDCISA-N 2 1 308.853 2.764 20 0 DFADMP COc1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1O ZINC000536652456 301285470 /nfs/dbraw/zinc/28/54/70/301285470.db2.gz ODBARBSVTXKVJD-UHFFFAOYSA-N 2 1 306.450 2.953 20 0 DFADMP c1cc(C2([NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc2c1OCO2 ZINC000537450411 301299989 /nfs/dbraw/zinc/29/99/89/301299989.db2.gz WCGUTWGYYDMZSD-UHFFFAOYSA-N 2 1 314.429 2.868 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000537637268 301307377 /nfs/dbraw/zinc/30/73/77/301307377.db2.gz UYNMHYCFPVXRAY-INIZCTEOSA-N 2 1 321.534 2.912 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)s1 ZINC000537637268 301307379 /nfs/dbraw/zinc/30/73/79/301307379.db2.gz UYNMHYCFPVXRAY-INIZCTEOSA-N 2 1 321.534 2.912 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000538762949 301331299 /nfs/dbraw/zinc/33/12/99/301331299.db2.gz UVIDMEXHROTWTG-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]C2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000540141402 301358449 /nfs/dbraw/zinc/35/84/49/301358449.db2.gz LLFDNOSKTCNKDL-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000540141402 301358451 /nfs/dbraw/zinc/35/84/51/301358451.db2.gz LLFDNOSKTCNKDL-MJGOQNOKSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000540141402 301358453 /nfs/dbraw/zinc/35/84/53/301358453.db2.gz LLFDNOSKTCNKDL-MJGOQNOKSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2csnn2)C[N@@H+]1Cc1ccccc1 ZINC000540628274 301366577 /nfs/dbraw/zinc/36/65/77/301366577.db2.gz VTXVLIKIFSFETO-ZBFHGGJFSA-N 2 1 316.474 2.928 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2csnn2)C[N@H+]1Cc1ccccc1 ZINC000540628274 301366579 /nfs/dbraw/zinc/36/65/79/301366579.db2.gz VTXVLIKIFSFETO-ZBFHGGJFSA-N 2 1 316.474 2.928 20 0 DFADMP CC(C)C[NH+]1CCC(Nc2cc[nH+]cc2Br)CC1 ZINC000547824360 301547733 /nfs/dbraw/zinc/54/77/33/301547733.db2.gz UBQCIWFARUFPBT-UHFFFAOYSA-N 2 1 312.255 2.798 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000562955975 302017285 /nfs/dbraw/zinc/01/72/85/302017285.db2.gz RCNVPJUAVIAEOI-IXDOHACOSA-N 2 1 304.482 2.944 20 0 DFADMP C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563271557 302056485 /nfs/dbraw/zinc/05/64/85/302056485.db2.gz WUZINRGTJRFOOU-MRXNPFEDSA-N 2 1 310.441 2.715 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1 ZINC000563349378 302064842 /nfs/dbraw/zinc/06/48/42/302064842.db2.gz HQFCSDJEKDSRML-YJBOKZPZSA-N 2 1 317.477 2.870 20 0 DFADMP Cn1cc([C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)c2ccc(F)cc2)cn1 ZINC000563426101 302071602 /nfs/dbraw/zinc/07/16/02/302071602.db2.gz SUQFARUHBPGGLJ-YESZJQIVSA-N 2 1 302.397 2.508 20 0 DFADMP Cn1cc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2ccc(F)cc2)cn1 ZINC000563426099 302071749 /nfs/dbraw/zinc/07/17/49/302071749.db2.gz SUQFARUHBPGGLJ-GVDBMIGSSA-N 2 1 302.397 2.508 20 0 DFADMP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528792 302080130 /nfs/dbraw/zinc/08/01/30/302080130.db2.gz GOZHUDNBCLYIEU-UWJYYQICSA-N 2 1 324.468 2.817 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000563633106 302089908 /nfs/dbraw/zinc/08/99/08/302089908.db2.gz ZBIMVABMULJUPX-GBESFXJTSA-N 2 1 304.478 2.957 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000563633106 302089910 /nfs/dbraw/zinc/08/99/10/302089910.db2.gz ZBIMVABMULJUPX-GBESFXJTSA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000563633106 302089912 /nfs/dbraw/zinc/08/99/12/302089912.db2.gz ZBIMVABMULJUPX-GBESFXJTSA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@H]1c1ccccc1 ZINC000563633106 302089913 /nfs/dbraw/zinc/08/99/13/302089913.db2.gz ZBIMVABMULJUPX-GBESFXJTSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000563741339 302096123 /nfs/dbraw/zinc/09/61/23/302096123.db2.gz SRUUXIVRVYZBDP-NXWXRZEISA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000563741339 302096124 /nfs/dbraw/zinc/09/61/24/302096124.db2.gz SRUUXIVRVYZBDP-NXWXRZEISA-N 2 1 302.462 2.933 20 0 DFADMP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Nc1ccc(F)cc1 ZINC000564074207 302116591 /nfs/dbraw/zinc/11/65/91/302116591.db2.gz CPJJEXCEPCHKKB-YESZJQIVSA-N 2 1 319.424 2.665 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCC(c2cccc(Cl)c2)CC1 ZINC000564344372 302130471 /nfs/dbraw/zinc/13/04/71/302130471.db2.gz QAGGACSIMRTPBG-KRWDZBQOSA-N 2 1 310.869 2.832 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2cccc(Cl)c2)CC1 ZINC000564344372 302130473 /nfs/dbraw/zinc/13/04/73/302130473.db2.gz QAGGACSIMRTPBG-KRWDZBQOSA-N 2 1 310.869 2.832 20 0 DFADMP Cc1ccc2cc[nH+]c(N3CCC([N@@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000564725033 302154068 /nfs/dbraw/zinc/15/40/68/302154068.db2.gz NSFXBIFAZJFAPH-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP Cc1ccc2cc[nH+]c(N3CCC([N@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000564725033 302154072 /nfs/dbraw/zinc/15/40/72/302154072.db2.gz NSFXBIFAZJFAPH-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000564843761 302163193 /nfs/dbraw/zinc/16/31/93/302163193.db2.gz FRYWLDGOMMVLTO-MSOLQXFVSA-N 2 1 320.477 2.528 20 0 DFADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000564847025 302163736 /nfs/dbraw/zinc/16/37/36/302163736.db2.gz GZYAARXCTIBNKP-CRAIPNDOSA-N 2 1 304.478 2.788 20 0 DFADMP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000564847025 302163740 /nfs/dbraw/zinc/16/37/40/302163740.db2.gz GZYAARXCTIBNKP-CRAIPNDOSA-N 2 1 304.478 2.788 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000564851698 302164679 /nfs/dbraw/zinc/16/46/79/302164679.db2.gz FJFSMKPQTRVTIF-KRWDZBQOSA-N 2 1 317.477 2.973 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564989680 302179858 /nfs/dbraw/zinc/17/98/58/302179858.db2.gz WXADCXZFBUJJFX-ZWKOTPCHSA-N 2 1 311.429 2.622 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155531 302198620 /nfs/dbraw/zinc/19/86/20/302198620.db2.gz GHJWTQMSFBNBAY-MOPGFXCFSA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155531 302198622 /nfs/dbraw/zinc/19/86/22/302198622.db2.gz GHJWTQMSFBNBAY-MOPGFXCFSA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1 ZINC000565155531 302198624 /nfs/dbraw/zinc/19/86/24/302198624.db2.gz GHJWTQMSFBNBAY-MOPGFXCFSA-N 2 1 304.478 2.644 20 0 DFADMP CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000565224877 302209881 /nfs/dbraw/zinc/20/98/81/302209881.db2.gz AHJSBTAYKUZDTR-QZTJIDSGSA-N 2 1 301.478 2.683 20 0 DFADMP CC(C)(CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000565224877 302209883 /nfs/dbraw/zinc/20/98/83/302209883.db2.gz AHJSBTAYKUZDTR-QZTJIDSGSA-N 2 1 301.478 2.683 20 0 DFADMP COc1cc(C[N@H+](C)C[C@@]2(C)CC[NH2+]C2)ccc1OC(F)F ZINC000565598655 302232413 /nfs/dbraw/zinc/23/24/13/302232413.db2.gz UUVSORDGMNPLLI-INIZCTEOSA-N 2 1 314.376 2.728 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@@]2(C)CC[NH2+]C2)ccc1OC(F)F ZINC000565598655 302232414 /nfs/dbraw/zinc/23/24/14/302232414.db2.gz UUVSORDGMNPLLI-INIZCTEOSA-N 2 1 314.376 2.728 20 0 DFADMP O[C@@H]1CCCC[C@@H]1C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000565898506 302248062 /nfs/dbraw/zinc/24/80/62/302248062.db2.gz RVOMBLHXCIMFJI-NZSAHSFTSA-N 2 1 317.477 2.577 20 0 DFADMP C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566090700 302258418 /nfs/dbraw/zinc/25/84/18/302258418.db2.gz JACWNTDFMMIARW-VDGAXYAQSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566090700 302258420 /nfs/dbraw/zinc/25/84/20/302258420.db2.gz JACWNTDFMMIARW-VDGAXYAQSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000566088554 302258511 /nfs/dbraw/zinc/25/85/11/302258511.db2.gz ALGCULDUYJFQQF-KBXCAEBGSA-N 2 1 308.429 2.621 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])cc1 ZINC000566294961 302275859 /nfs/dbraw/zinc/27/58/59/302275859.db2.gz HMFUQVDHESECDK-GJZGRUSLSA-N 2 1 305.466 2.774 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1cccc(F)c1)C1CCCC1 ZINC000566627829 302300609 /nfs/dbraw/zinc/30/06/09/302300609.db2.gz YAGIEZGHUJWYLT-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1cccc(F)c1)C1CCCC1 ZINC000566627829 302300612 /nfs/dbraw/zinc/30/06/12/302300612.db2.gz YAGIEZGHUJWYLT-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000566627829 302300615 /nfs/dbraw/zinc/30/06/15/302300615.db2.gz YAGIEZGHUJWYLT-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000566627829 302300618 /nfs/dbraw/zinc/30/06/18/302300618.db2.gz YAGIEZGHUJWYLT-IBGZPJMESA-N 2 1 322.468 2.925 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000566866400 302318457 /nfs/dbraw/zinc/31/84/57/302318457.db2.gz SHXSHVDUDIRSMX-QAPCUYQASA-N 2 1 317.477 2.526 20 0 DFADMP Cc1nn2c(C[NH2+]C[C@]3(C)CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000567471921 302361350 /nfs/dbraw/zinc/36/13/50/302361350.db2.gz YDTCQMOBQNMXNO-MRXNPFEDSA-N 2 1 321.494 2.702 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[C@@H]3[NH3+])c2)C[C@H](C)O1 ZINC000567645852 302375791 /nfs/dbraw/zinc/37/57/91/302375791.db2.gz FDFWJQBCCKNUSO-IHETXDGRSA-N 2 1 303.450 2.588 20 0 DFADMP CC(C)[NH2+]CCCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567723918 302384135 /nfs/dbraw/zinc/38/41/35/302384135.db2.gz BHFYQLBGNXNHNO-MJGOQNOKSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567723918 302384138 /nfs/dbraw/zinc/38/41/38/302384138.db2.gz BHFYQLBGNXNHNO-MJGOQNOKSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567723918 302384140 /nfs/dbraw/zinc/38/41/40/302384140.db2.gz BHFYQLBGNXNHNO-MJGOQNOKSA-N 3 1 303.494 2.875 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000369101657 302386783 /nfs/dbraw/zinc/38/67/83/302386783.db2.gz RJBHRLYCTZGUJD-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP C[N@H+](CCC[NH3+])Cc1cc(Br)ccc1OC(F)F ZINC000567864853 302394700 /nfs/dbraw/zinc/39/47/00/302394700.db2.gz VMCGYHWJEZUGAC-UHFFFAOYSA-N 2 1 323.181 2.831 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cc(Br)ccc1OC(F)F ZINC000567864853 302394703 /nfs/dbraw/zinc/39/47/03/302394703.db2.gz VMCGYHWJEZUGAC-UHFFFAOYSA-N 2 1 323.181 2.831 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CC[C@H]2C2CC2)c2cccs2)CC1 ZINC000568548085 302458860 /nfs/dbraw/zinc/45/88/60/302458860.db2.gz VMEMGKXFVGZPRQ-GVDBMIGSSA-N 2 1 319.518 2.815 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000569472630 302520653 /nfs/dbraw/zinc/52/06/53/302520653.db2.gz ILXWERPFTFKEEG-RYUDHWBXSA-N 2 1 317.355 2.500 20 0 DFADMP CC(=O)c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)on1 ZINC000574169073 302744857 /nfs/dbraw/zinc/74/48/57/302744857.db2.gz ZQJJUMRNUCXJBK-UHFFFAOYSA-N 2 1 319.449 2.965 20 0 DFADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371588066 303132888 /nfs/dbraw/zinc/13/28/88/303132888.db2.gz JKOGLADKKVRMBZ-UKRRQHHQSA-N 2 1 301.365 2.841 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000163886949 315880417 /nfs/dbraw/zinc/88/04/17/315880417.db2.gz JIKFMXOHFYBEJL-HUUCEWRRSA-N 2 1 311.470 2.506 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOC(C)(C)C)[C@H](C)C1 ZINC000180339998 316031581 /nfs/dbraw/zinc/03/15/81/316031581.db2.gz UQNNPUMKFLZIGY-CVEARBPZSA-N 2 1 300.487 2.528 20 0 DFADMP C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683469 316189708 /nfs/dbraw/zinc/18/97/08/316189708.db2.gz UOIVNHOOFXJKDW-HOTGVXAUSA-N 2 1 323.525 2.781 20 0 DFADMP C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683469 316189715 /nfs/dbraw/zinc/18/97/15/316189715.db2.gz UOIVNHOOFXJKDW-HOTGVXAUSA-N 2 1 323.525 2.781 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1CCCC1 ZINC000185690662 316190015 /nfs/dbraw/zinc/19/00/15/316190015.db2.gz FKGQNGLYDMEGMS-HRCADAONSA-N 2 1 321.509 2.676 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1CCCC1 ZINC000185690662 316190018 /nfs/dbraw/zinc/19/00/18/316190018.db2.gz FKGQNGLYDMEGMS-HRCADAONSA-N 2 1 321.509 2.676 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691682 316190027 /nfs/dbraw/zinc/19/00/27/316190027.db2.gz JDIVAQRXEQGDQL-YESZJQIVSA-N 2 1 323.525 2.780 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691682 316190029 /nfs/dbraw/zinc/19/00/29/316190029.db2.gz JDIVAQRXEQGDQL-YESZJQIVSA-N 2 1 323.525 2.780 20 0 DFADMP COc1ccc(C[C@@H](C)C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000187351471 316208907 /nfs/dbraw/zinc/20/89/07/316208907.db2.gz WREQTUHKMZALIN-GDBMZVCRSA-N 2 1 308.441 2.944 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCc3ccccc3[C@@H]2C[NH3+])c1C ZINC000321908037 316257719 /nfs/dbraw/zinc/25/77/19/316257719.db2.gz WGUOSTDPCBIMMU-SFHVURJKSA-N 2 1 311.429 2.765 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000322156147 316258628 /nfs/dbraw/zinc/25/86/28/316258628.db2.gz ALABXJCUVCIYGG-BPQIPLTHSA-N 2 1 315.461 2.552 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCC[C@@H]1O ZINC000328366775 316263087 /nfs/dbraw/zinc/26/30/87/316263087.db2.gz RFYSSUYOQHNNIB-ZCNNSNEGSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCC[C@@H]1O ZINC000328366775 316263091 /nfs/dbraw/zinc/26/30/91/316263091.db2.gz RFYSSUYOQHNNIB-ZCNNSNEGSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCC[C@@H]1O ZINC000328366775 316263095 /nfs/dbraw/zinc/26/30/95/316263095.db2.gz RFYSSUYOQHNNIB-ZCNNSNEGSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000336716895 316299757 /nfs/dbraw/zinc/29/97/57/316299757.db2.gz QATZONVTLWUPIX-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000336716895 316299762 /nfs/dbraw/zinc/29/97/62/316299762.db2.gz QATZONVTLWUPIX-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000336716895 316299766 /nfs/dbraw/zinc/29/97/66/316299766.db2.gz QATZONVTLWUPIX-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000341514031 316309987 /nfs/dbraw/zinc/30/99/87/316309987.db2.gz VCPJYSBVETWIJR-ZNMIVQPWSA-N 2 1 317.468 2.672 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000341514031 316309993 /nfs/dbraw/zinc/30/99/93/316309993.db2.gz VCPJYSBVETWIJR-ZNMIVQPWSA-N 2 1 317.468 2.672 20 0 DFADMP COCc1cc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000360011966 316573034 /nfs/dbraw/zinc/57/30/34/316573034.db2.gz ABSXSGURAQHHFY-CJNGLKHVSA-N 2 1 315.417 2.704 20 0 DFADMP CC(C)(C)c1cnc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1 ZINC000414767484 316648905 /nfs/dbraw/zinc/64/89/05/316648905.db2.gz GFNXXYGBVQNTJR-CJNGLKHVSA-N 2 1 323.506 2.769 20 0 DFADMP CO[C@H](C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1)C1CC1 ZINC000425469741 316803647 /nfs/dbraw/zinc/80/36/47/316803647.db2.gz FCDVPZQZPFWQTG-QGZVFWFLSA-N 2 1 303.450 2.824 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000449649077 317047866 /nfs/dbraw/zinc/04/78/66/317047866.db2.gz ROOPCMGBYFYZNE-KCXAZCMYSA-N 2 1 323.868 2.576 20 0 DFADMP CCc1cc(NCc2cccc(C[NH+]3CCOCC3)c2)cc[nH+]1 ZINC000450261119 317077197 /nfs/dbraw/zinc/07/71/97/317077197.db2.gz GSMFZEUICZERBH-UHFFFAOYSA-N 2 1 311.429 2.510 20 0 DFADMP CCc1cc(NC2CCN(c3cc(C)[nH+]c(C)n3)CC2)cc[nH+]1 ZINC000450371242 317085917 /nfs/dbraw/zinc/08/59/17/317085917.db2.gz FTYNHVWAFLCNGR-UHFFFAOYSA-N 2 1 311.433 2.554 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCCC3(F)F)C2)CC1 ZINC000450392948 317088128 /nfs/dbraw/zinc/08/81/28/317088128.db2.gz PGWFRSBWCMJTGI-JKSUJKDBSA-N 2 1 315.452 2.524 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453088743 317160510 /nfs/dbraw/zinc/16/05/10/317160510.db2.gz NWIBRSRKSPJQGT-AWEZNQCLSA-N 2 1 309.417 2.943 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)Cc1cnccn1)[N@@H+](C)Cc1ccccc1 ZINC000453146606 317164790 /nfs/dbraw/zinc/16/47/90/317164790.db2.gz XIIUPJZVMXUQFX-DLBZAZTESA-N 2 1 312.461 2.908 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453200011 317168046 /nfs/dbraw/zinc/16/80/46/317168046.db2.gz UDHFERSWYVFDIH-VQTJNVASSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000453203029 317168837 /nfs/dbraw/zinc/16/88/37/317168837.db2.gz DSZAAWQIZISEEX-ZWKOTPCHSA-N 2 1 319.493 2.883 20 0 DFADMP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000453203029 317168841 /nfs/dbraw/zinc/16/88/41/317168841.db2.gz DSZAAWQIZISEEX-ZWKOTPCHSA-N 2 1 319.493 2.883 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000453276950 317174837 /nfs/dbraw/zinc/17/48/37/317174837.db2.gz BGQSSUQRNJRHFZ-MAUKXSAKSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000453276950 317174840 /nfs/dbraw/zinc/17/48/40/317174840.db2.gz BGQSSUQRNJRHFZ-MAUKXSAKSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCOC2)[C@H](C)C1 ZINC000453368074 317180812 /nfs/dbraw/zinc/18/08/12/317180812.db2.gz MSUAPAAZHSBBHM-KURKYZTESA-N 2 1 312.498 2.530 20 0 DFADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488357986 317386898 /nfs/dbraw/zinc/38/68/98/317386898.db2.gz QTABLNZPZQVYAP-SJLPKXTDSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@@H]1C[C@@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488357986 317386902 /nfs/dbraw/zinc/38/69/02/317386902.db2.gz QTABLNZPZQVYAP-SJLPKXTDSA-N 3 1 307.526 2.771 20 0 DFADMP C[C@@H]1C[C@@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488357986 317386906 /nfs/dbraw/zinc/38/69/06/317386906.db2.gz QTABLNZPZQVYAP-SJLPKXTDSA-N 3 1 307.526 2.771 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3C[C@H]3C)cc2)CC1 ZINC000488412031 317390785 /nfs/dbraw/zinc/39/07/85/317390785.db2.gz KXXGCFKPCFYZJT-APWZRJJASA-N 2 1 301.478 2.570 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488418674 317391699 /nfs/dbraw/zinc/39/16/99/317391699.db2.gz NSWSTILMHJBQLR-SJORKVTESA-N 2 1 314.539 2.996 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(CNCc2cnc(C)n2C)c1 ZINC000572857190 318006069 /nfs/dbraw/zinc/00/60/69/318006069.db2.gz PSUJGDODHIEWLP-ZDUSSCGKSA-N 2 1 314.433 2.547 20 0 DFADMP COCCOCc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000573402335 318018287 /nfs/dbraw/zinc/01/82/87/318018287.db2.gz JRJPEUZWJSVVPB-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000574703474 318034972 /nfs/dbraw/zinc/03/49/72/318034972.db2.gz NLFSZMXZXKWIBY-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000574703474 318034974 /nfs/dbraw/zinc/03/49/74/318034974.db2.gz NLFSZMXZXKWIBY-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000574703474 318034976 /nfs/dbraw/zinc/03/49/76/318034976.db2.gz NLFSZMXZXKWIBY-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000574868943 318045879 /nfs/dbraw/zinc/04/58/79/318045879.db2.gz FNJUUIMHLQAJML-VQIMIIECSA-N 2 1 322.468 2.973 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000576457981 318127420 /nfs/dbraw/zinc/12/74/20/318127420.db2.gz AOTBRXWZSSCQPR-KBPBESRZSA-N 2 1 310.825 2.861 20 0 DFADMP C[NH+]1CCN(CCCC[NH2+]Cc2cc(Cl)cs2)CC1 ZINC000576684088 318142393 /nfs/dbraw/zinc/14/23/93/318142393.db2.gz ZGHYGIWAYNYQBT-UHFFFAOYSA-N 2 1 301.887 2.519 20 0 DFADMP CC1(C)CCC[NH2+][C@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000576814952 318151725 /nfs/dbraw/zinc/15/17/25/318151725.db2.gz LLBSOAFVYIYFGL-LXVYMNJGSA-N 2 1 308.388 2.590 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000576842501 318154834 /nfs/dbraw/zinc/15/48/34/318154834.db2.gz MMIRNFNAYMKTOC-FXUDXRNXSA-N 2 1 307.507 2.671 20 0 DFADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577111784 318171908 /nfs/dbraw/zinc/17/19/08/318171908.db2.gz QHFGNHFAPPTKTA-OTWHNJEPSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577111784 318171910 /nfs/dbraw/zinc/17/19/10/318171910.db2.gz QHFGNHFAPPTKTA-OTWHNJEPSA-N 2 1 314.473 2.934 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000577343314 318185674 /nfs/dbraw/zinc/18/56/74/318185674.db2.gz LVXVYEAQEMDQTK-DZGCQCFKSA-N 2 1 319.474 2.746 20 0 DFADMP CCc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000577363134 318187923 /nfs/dbraw/zinc/18/79/23/318187923.db2.gz YJHOKZXJVGGLBJ-SNRMKQJTSA-N 2 1 303.494 2.829 20 0 DFADMP CC[C@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccncc1 ZINC000577384777 318189650 /nfs/dbraw/zinc/18/96/50/318189650.db2.gz ACNOCBVICFRZJM-INIZCTEOSA-N 2 1 300.406 2.778 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@H]2CCC[C@H]21 ZINC000577530546 318200141 /nfs/dbraw/zinc/20/01/41/318200141.db2.gz KCGHGYAVLQRCMF-VVLHAWIVSA-N 2 1 304.409 2.592 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577710648 318211567 /nfs/dbraw/zinc/21/15/67/318211567.db2.gz CASVZCXQBUNBBY-ZIAGYGMSSA-N 2 1 316.449 2.532 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503121 318265098 /nfs/dbraw/zinc/26/50/98/318265098.db2.gz IMVGCZJIXGFYJH-MOPGFXCFSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503121 318265100 /nfs/dbraw/zinc/26/51/00/318265100.db2.gz IMVGCZJIXGFYJH-MOPGFXCFSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503121 318265101 /nfs/dbraw/zinc/26/51/01/318265101.db2.gz IMVGCZJIXGFYJH-MOPGFXCFSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503121 318265103 /nfs/dbraw/zinc/26/51/03/318265103.db2.gz IMVGCZJIXGFYJH-MOPGFXCFSA-N 2 1 320.452 2.678 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccccc1CC[NH3+] ZINC000578638129 318274668 /nfs/dbraw/zinc/27/46/68/318274668.db2.gz WJSAIKPRGHMSRY-UHFFFAOYSA-N 2 1 317.477 2.524 20 0 DFADMP C[C@@H]1COCC[N@@H+]1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000578879423 318292108 /nfs/dbraw/zinc/29/21/08/318292108.db2.gz UPACTSLIEGEAEN-ZGRWHYIRSA-N 2 1 300.446 2.885 20 0 DFADMP C[C@@H]1COCC[N@H+]1C1CCN(C/C=C/c2ccccc2)CC1 ZINC000578879423 318292111 /nfs/dbraw/zinc/29/21/11/318292111.db2.gz UPACTSLIEGEAEN-ZGRWHYIRSA-N 2 1 300.446 2.885 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000579254450 318318364 /nfs/dbraw/zinc/31/83/64/318318364.db2.gz JTCBDAKCPOREIQ-LLCTXKFZSA-N 2 1 312.417 2.717 20 0 DFADMP CN(CC[NH2+]C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382721945 323301144 /nfs/dbraw/zinc/30/11/44/323301144.db2.gz NSJARHFGDNPEDY-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP C[C@@H](NCCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382605856 323301762 /nfs/dbraw/zinc/30/17/62/323301762.db2.gz WUETYESUQZQOEB-SJLPKXTDSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382605856 323301770 /nfs/dbraw/zinc/30/17/70/323301770.db2.gz WUETYESUQZQOEB-SJLPKXTDSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382605856 323301776 /nfs/dbraw/zinc/30/17/76/323301776.db2.gz WUETYESUQZQOEB-SJLPKXTDSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000386573007 323319513 /nfs/dbraw/zinc/31/95/13/323319513.db2.gz MHHPGCXAJBCADQ-QXAKKESOSA-N 2 1 301.478 2.771 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000387245871 323323478 /nfs/dbraw/zinc/32/34/78/323323478.db2.gz RIYPDXCNWHGXQS-UHFFFAOYSA-N 2 1 303.450 2.809 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000580306462 323367848 /nfs/dbraw/zinc/36/78/48/323367848.db2.gz UWESUFXFTSGWMM-IEBWSBKVSA-N 2 1 318.436 2.806 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000580306462 323367852 /nfs/dbraw/zinc/36/78/52/323367852.db2.gz UWESUFXFTSGWMM-IEBWSBKVSA-N 2 1 318.436 2.806 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000580306461 323368086 /nfs/dbraw/zinc/36/80/86/323368086.db2.gz UWESUFXFTSGWMM-HKUYNNGSSA-N 2 1 318.436 2.806 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000580306461 323368091 /nfs/dbraw/zinc/36/80/91/323368091.db2.gz UWESUFXFTSGWMM-HKUYNNGSSA-N 2 1 318.436 2.806 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000582130214 323622686 /nfs/dbraw/zinc/62/26/86/323622686.db2.gz VKTHDRPLUDUQHQ-IAGOWNOFSA-N 2 1 321.371 2.751 20 0 DFADMP CC[C@@H](c1ccccc1)[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000583568035 323880126 /nfs/dbraw/zinc/88/01/26/323880126.db2.gz UTTLWFWMSOSGJM-SFHVURJKSA-N 2 1 302.462 2.964 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000651772021 500847865 /nfs/dbraw/zinc/84/78/65/500847865.db2.gz YLLFETVLXGNVPJ-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000651772021 500847868 /nfs/dbraw/zinc/84/78/68/500847868.db2.gz YLLFETVLXGNVPJ-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP C[C@H](CCO)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000294677673 533959869 /nfs/dbraw/zinc/95/98/69/533959869.db2.gz BAJHPHPSAKQIGW-KRWDZBQOSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000309879447 534111559 /nfs/dbraw/zinc/11/15/59/534111559.db2.gz YQNOEBFAVBGANP-WMZOPIPTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC000309879447 534111566 /nfs/dbraw/zinc/11/15/66/534111566.db2.gz YQNOEBFAVBGANP-WMZOPIPTSA-N 2 1 301.478 2.723 20 0 DFADMP CC(C)[NH+](C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000157671109 519606945 /nfs/dbraw/zinc/60/69/45/519606945.db2.gz LIOVXKQGYUQPKF-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000157670974 519606852 /nfs/dbraw/zinc/60/68/52/519606852.db2.gz LIOVXKQGYUQPKF-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[NH+](C)CC(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000157670974 519606858 /nfs/dbraw/zinc/60/68/58/519606858.db2.gz LIOVXKQGYUQPKF-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[NH+](C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157670974 519606863 /nfs/dbraw/zinc/60/68/63/519606863.db2.gz LIOVXKQGYUQPKF-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000157671109 519606940 /nfs/dbraw/zinc/60/69/40/519606940.db2.gz LIOVXKQGYUQPKF-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[NH+](C)CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157671109 519606952 /nfs/dbraw/zinc/60/69/52/519606952.db2.gz LIOVXKQGYUQPKF-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)n1ncnc1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365032050 520128318 /nfs/dbraw/zinc/12/83/18/520128318.db2.gz DVAYUXMJDCMVSH-HNNXBMFYSA-N 2 1 317.481 2.555 20 0 DFADMP Cc1ccc2[nH+]ccc(N[C@@H](C)CCN3CC[NH+](C)CC3)c2c1 ZINC000302274990 534522681 /nfs/dbraw/zinc/52/26/81/534522681.db2.gz SRPDIZWUYDHPJF-INIZCTEOSA-N 2 1 312.461 2.981 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CCSCC2)[C@@H](C)C1 ZINC000361396095 521707828 /nfs/dbraw/zinc/70/78/28/521707828.db2.gz DIBRLSSMBIYSIE-RDJZCZTQSA-N 2 1 314.539 2.856 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2coc(-c3cccs3)n2)CC1 ZINC000317143934 534617508 /nfs/dbraw/zinc/61/75/08/534617508.db2.gz BQSMOFDBAGKMCK-UHFFFAOYSA-N 2 1 321.446 2.733 20 0 DFADMP C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366001552 522910240 /nfs/dbraw/zinc/91/02/40/522910240.db2.gz JRFOBISLCQHKBA-CQSZACIVSA-N 2 1 303.381 2.595 20 0 DFADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366001552 522910250 /nfs/dbraw/zinc/91/02/50/522910250.db2.gz JRFOBISLCQHKBA-CQSZACIVSA-N 2 1 303.381 2.595 20 0 DFADMP Cc1[nH+]c2ccccc2c(NC[C@H](C)N2CC[NH+](C)CC2)c1C ZINC000302101705 534671508 /nfs/dbraw/zinc/67/15/08/534671508.db2.gz VILNZHRBEWPWOY-AWEZNQCLSA-N 2 1 312.461 2.899 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)o1 ZINC000154549764 524023631 /nfs/dbraw/zinc/02/36/31/524023631.db2.gz YVKLBDRRPSZWTH-MRXNPFEDSA-N 2 1 307.482 2.910 20 0 DFADMP COc1cccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)c1 ZINC000249067443 524098592 /nfs/dbraw/zinc/09/85/92/524098592.db2.gz VTSXCIAFNAXJHJ-RGPMPMONSA-N 2 1 317.477 2.513 20 0 DFADMP COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)c1 ZINC000249067443 524098598 /nfs/dbraw/zinc/09/85/98/524098598.db2.gz VTSXCIAFNAXJHJ-RGPMPMONSA-N 2 1 317.477 2.513 20 0 DFADMP COc1cccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)c1 ZINC000249067443 524098606 /nfs/dbraw/zinc/09/86/06/524098606.db2.gz VTSXCIAFNAXJHJ-RGPMPMONSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H]1CC[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)O1 ZINC000365074273 524348891 /nfs/dbraw/zinc/34/88/91/524348891.db2.gz VKXLPXQXRBVELW-LPHOPBHVSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)O1 ZINC000365074273 524348894 /nfs/dbraw/zinc/34/88/94/524348894.db2.gz VKXLPXQXRBVELW-LPHOPBHVSA-N 2 1 317.477 2.588 20 0 DFADMP Cc1ccc(N2CCC([NH2+]Cc3ccc(F)nc3)CC2)[nH+]c1 ZINC000189125525 524941437 /nfs/dbraw/zinc/94/14/37/524941437.db2.gz ZDSZPQSGMZDKMS-UHFFFAOYSA-N 2 1 300.381 2.683 20 0 DFADMP Cc1cc(N[C@@H](C)[C@H]2C[N@H+](C)CCO2)c2cc(F)ccc2[nH+]1 ZINC000154849007 525292543 /nfs/dbraw/zinc/29/25/43/525292543.db2.gz QNNJVPGHGIVMAQ-YVEFUNNKSA-N 2 1 303.381 2.813 20 0 DFADMP Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](C)CCO2)c2cc(F)ccc2[nH+]1 ZINC000154849007 525292551 /nfs/dbraw/zinc/29/25/51/525292551.db2.gz QNNJVPGHGIVMAQ-YVEFUNNKSA-N 2 1 303.381 2.813 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000366293724 525389008 /nfs/dbraw/zinc/38/90/08/525389008.db2.gz JCBOBIUYEAFWPC-HEHGZKQESA-N 2 1 304.463 2.825 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000366293724 525389043 /nfs/dbraw/zinc/38/90/43/525389043.db2.gz JCBOBIUYEAFWPC-HEHGZKQESA-N 2 1 304.463 2.825 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000157942688 525440359 /nfs/dbraw/zinc/44/03/59/525440359.db2.gz UJOVAEMLZLABQY-QLFBSQMISA-N 2 1 323.431 2.863 20 0 DFADMP Cc1csc(N2CCC([NH2+]CCC[N@H+](C)C(C)C)CC2)n1 ZINC000361344188 526376113 /nfs/dbraw/zinc/37/61/13/526376113.db2.gz PWCFOGBGBDQNQN-UHFFFAOYSA-N 2 1 310.511 2.740 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000358230116 536481626 /nfs/dbraw/zinc/48/16/26/536481626.db2.gz GSANKKSEQAQYRU-WMZOPIPTSA-N 2 1 308.441 2.959 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000358230116 536481630 /nfs/dbraw/zinc/48/16/30/536481630.db2.gz GSANKKSEQAQYRU-WMZOPIPTSA-N 2 1 308.441 2.959 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000358169573 536482122 /nfs/dbraw/zinc/48/21/22/536482122.db2.gz QEKPOEYKJPHFIY-KRWDZBQOSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000358169573 536482126 /nfs/dbraw/zinc/48/21/26/536482126.db2.gz QEKPOEYKJPHFIY-KRWDZBQOSA-N 2 1 320.433 2.710 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000294732079 527078224 /nfs/dbraw/zinc/07/82/24/527078224.db2.gz DIRZNNLHGUSRCV-UBBHGXQRSA-N 2 1 301.434 2.921 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000294732079 527078233 /nfs/dbraw/zinc/07/82/33/527078233.db2.gz DIRZNNLHGUSRCV-UBBHGXQRSA-N 2 1 301.434 2.921 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000163346884 527395179 /nfs/dbraw/zinc/39/51/79/527395179.db2.gz HAYKOXNFPNXHRF-KRWDZBQOSA-N 2 1 315.465 2.660 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000163346884 527395185 /nfs/dbraw/zinc/39/51/85/527395185.db2.gz HAYKOXNFPNXHRF-KRWDZBQOSA-N 2 1 315.465 2.660 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000364828092 527631516 /nfs/dbraw/zinc/63/15/16/527631516.db2.gz CWLNNAKVCOHTPT-HOCLYGCPSA-N 2 1 302.466 2.663 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000294986233 527802531 /nfs/dbraw/zinc/80/25/31/527802531.db2.gz HAUTXYJZAQAFQL-DGCLKSJQSA-N 2 1 301.356 2.920 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000294986233 527802539 /nfs/dbraw/zinc/80/25/39/527802539.db2.gz HAUTXYJZAQAFQL-DGCLKSJQSA-N 2 1 301.356 2.920 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000309654290 527870235 /nfs/dbraw/zinc/87/02/35/527870235.db2.gz BBKUNBMCHOLJCA-OKYOBFRVSA-N 2 1 314.473 2.912 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000292875974 528195641 /nfs/dbraw/zinc/19/56/41/528195641.db2.gz SXYUEWGPARQCKD-SFHVURJKSA-N 2 1 308.441 2.535 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC000324289398 528336293 /nfs/dbraw/zinc/33/62/93/528336293.db2.gz IWHSZQWBLGRFSU-QZTJIDSGSA-N 2 1 323.525 2.865 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)c2cccnc2)CC1 ZINC000295573801 528338329 /nfs/dbraw/zinc/33/83/29/528338329.db2.gz RJRHLIUQYXNSNE-SFHVURJKSA-N 2 1 305.466 2.559 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2c(c1)NC(=O)CO2)C(C)C ZINC000293673323 528886324 /nfs/dbraw/zinc/88/63/24/528886324.db2.gz QSVAETRHTWDITI-UHFFFAOYSA-N 2 1 319.449 2.616 20 0 DFADMP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)C1 ZINC000294920984 529048417 /nfs/dbraw/zinc/04/84/17/529048417.db2.gz BLQVRXMZPXZMRJ-ZWKOTPCHSA-N 2 1 302.462 2.922 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000361033287 534958582 /nfs/dbraw/zinc/95/85/82/534958582.db2.gz JGTQGFPNZASQIL-CJNGLKHVSA-N 2 1 319.424 2.921 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)c2C1 ZINC000362716731 535000298 /nfs/dbraw/zinc/00/02/98/535000298.db2.gz NXTWNWZLFHOUHM-DZGCQCFKSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)c2C1 ZINC000362716731 535000301 /nfs/dbraw/zinc/00/03/01/535000301.db2.gz NXTWNWZLFHOUHM-DZGCQCFKSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)c2C1 ZINC000362716731 535000304 /nfs/dbraw/zinc/00/03/04/535000304.db2.gz NXTWNWZLFHOUHM-DZGCQCFKSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)c2C1 ZINC000362716731 535000305 /nfs/dbraw/zinc/00/03/05/535000305.db2.gz NXTWNWZLFHOUHM-DZGCQCFKSA-N 2 1 301.434 2.548 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cn1 ZINC000261990637 535026150 /nfs/dbraw/zinc/02/61/50/535026150.db2.gz KGQGDDFICYBJTE-UHFFFAOYSA-N 2 1 302.466 2.502 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236807333 535044509 /nfs/dbraw/zinc/04/45/09/535044509.db2.gz IENWXJDYZRSTPP-ROUUACIJSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000262042326 535153778 /nfs/dbraw/zinc/15/37/78/535153778.db2.gz YRHVFBWGCOVSJX-KURKYZTESA-N 2 1 302.462 2.711 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N2CCC[C@@H](C)C2)CC1 ZINC000170793972 535508712 /nfs/dbraw/zinc/50/87/12/535508712.db2.gz XCWUTJVMGCPTRN-QGZVFWFLSA-N 2 1 323.525 2.689 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000246107567 535691382 /nfs/dbraw/zinc/69/13/82/535691382.db2.gz JOUUPFZZIBRAAP-GOEBONIOSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)s1 ZINC000246107567 535691389 /nfs/dbraw/zinc/69/13/89/535691389.db2.gz JOUUPFZZIBRAAP-GOEBONIOSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)s1 ZINC000246107567 535691394 /nfs/dbraw/zinc/69/13/94/535691394.db2.gz JOUUPFZZIBRAAP-GOEBONIOSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)s1 ZINC000246107567 535691398 /nfs/dbraw/zinc/69/13/98/535691398.db2.gz JOUUPFZZIBRAAP-GOEBONIOSA-N 2 1 322.522 2.905 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000354511024 535698495 /nfs/dbraw/zinc/69/84/95/535698495.db2.gz LUWKOQXYTDHHAC-KRWDZBQOSA-N 2 1 323.456 2.540 20 0 DFADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000261985756 535715488 /nfs/dbraw/zinc/71/54/88/535715488.db2.gz SDCCASYUSPGZNO-NNXHMXCWSA-N 2 1 312.523 2.797 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247215157 535770291 /nfs/dbraw/zinc/77/02/91/535770291.db2.gz VQMRQKXIVSOGQE-LPHOPBHVSA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H](C)C1 ZINC000247215157 535770294 /nfs/dbraw/zinc/77/02/94/535770294.db2.gz VQMRQKXIVSOGQE-LPHOPBHVSA-N 2 1 312.461 2.751 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245547900 535964720 /nfs/dbraw/zinc/96/47/20/535964720.db2.gz WUEUSKVVFMCEEO-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000245547900 535964725 /nfs/dbraw/zinc/96/47/25/535964725.db2.gz WUEUSKVVFMCEEO-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H]1C ZINC000354511925 536317984 /nfs/dbraw/zinc/31/79/84/536317984.db2.gz NYCPNPKGPKIKBD-VNQPRFMTSA-N 2 1 307.438 2.539 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1Br ZINC000261543288 536901982 /nfs/dbraw/zinc/90/19/82/536901982.db2.gz CTDYBSQEMCFOII-GUBZILKMSA-N 2 1 301.228 2.844 20 0 DFADMP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000681451749 545642440 /nfs/dbraw/zinc/64/24/40/545642440.db2.gz ZXDZJOHAGMYCEX-FGTMMUONSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ccccc32)CC1 ZINC000682073647 545788763 /nfs/dbraw/zinc/78/87/63/545788763.db2.gz VRAHBIDAEGEJBS-BEFAXECRSA-N 2 1 302.462 2.699 20 0 DFADMP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000682140857 545804526 /nfs/dbraw/zinc/80/45/26/545804526.db2.gz XELPSLXYCXOQMR-RTBURBONSA-N 2 1 302.462 2.543 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@H]2C)[C@@H](C)C1 ZINC000682159067 545808605 /nfs/dbraw/zinc/80/86/05/545808605.db2.gz KZJRFKOKQUJUQV-YHUYYLMFSA-N 2 1 300.512 2.607 20 0 DFADMP Fc1cccc(-c2ccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1F ZINC000682997617 545956765 /nfs/dbraw/zinc/95/67/65/545956765.db2.gz AIURQGXCEHYYHK-TXEJJXNPSA-N 2 1 304.340 2.876 20 0 DFADMP Fc1cccc(-c2ccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)o2)c1F ZINC000682997617 545956768 /nfs/dbraw/zinc/95/67/68/545956768.db2.gz AIURQGXCEHYYHK-TXEJJXNPSA-N 2 1 304.340 2.876 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000683141658 545978350 /nfs/dbraw/zinc/97/83/50/545978350.db2.gz PXVKRIBWXKHRJT-HDICACEKSA-N 2 1 301.478 2.787 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000683357835 546018634 /nfs/dbraw/zinc/01/86/34/546018634.db2.gz ABTCMXSMSDOIHP-SFHVURJKSA-N 3 1 319.493 2.543 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000683357835 546018637 /nfs/dbraw/zinc/01/86/37/546018637.db2.gz ABTCMXSMSDOIHP-SFHVURJKSA-N 3 1 319.493 2.543 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)CC2 ZINC000683471294 546040010 /nfs/dbraw/zinc/04/00/10/546040010.db2.gz OWMURSXRUQRONN-GFCCVEGCSA-N 2 1 313.430 2.687 20 0 DFADMP Cc1ccc(CN2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000683698997 546078421 /nfs/dbraw/zinc/07/84/21/546078421.db2.gz ZKRWBGIKCLHLBB-KRWDZBQOSA-N 2 1 321.896 2.860 20 0 DFADMP c1nc(CC[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)cs1 ZINC000683889382 546112739 /nfs/dbraw/zinc/11/27/39/546112739.db2.gz QDKLBYJRDWQSEI-BYICEURKSA-N 2 1 313.470 2.796 20 0 DFADMP c1nc(CC[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)cs1 ZINC000683889382 546112744 /nfs/dbraw/zinc/11/27/44/546112744.db2.gz QDKLBYJRDWQSEI-BYICEURKSA-N 2 1 313.470 2.796 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000684368801 546202538 /nfs/dbraw/zinc/20/25/38/546202538.db2.gz UNECMINJTYXZRF-RBUKOAKNSA-N 2 1 302.462 2.982 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000684368801 546202541 /nfs/dbraw/zinc/20/25/41/546202541.db2.gz UNECMINJTYXZRF-RBUKOAKNSA-N 2 1 302.462 2.982 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1 ZINC000684375864 546204455 /nfs/dbraw/zinc/20/44/55/546204455.db2.gz CMSDZRCPGZLPAL-BRWVUGGUSA-N 2 1 318.465 2.609 20 0 DFADMP Cc1ccncc1C[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684425285 546215800 /nfs/dbraw/zinc/21/58/00/546215800.db2.gz KEWBEFIPONXQGM-UHFFFAOYSA-N 2 1 313.445 2.962 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2ccc(O)cc2)cc1 ZINC000685462418 546355117 /nfs/dbraw/zinc/35/51/17/546355117.db2.gz FYHRWJKDFGEYGB-UHFFFAOYSA-N 2 1 314.429 2.965 20 0 DFADMP C/C(=C/c1ccccc1OC(F)F)C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000685839042 546397251 /nfs/dbraw/zinc/39/72/51/546397251.db2.gz RAILCFPJIIPIEX-QLCSPZGSSA-N 2 1 308.372 2.843 20 0 DFADMP C/C(=C/c1ccccc1OC(F)F)C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000685839042 546397255 /nfs/dbraw/zinc/39/72/55/546397255.db2.gz RAILCFPJIIPIEX-QLCSPZGSSA-N 2 1 308.372 2.843 20 0 DFADMP CC1(C)[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278317180 214086709 /nfs/dbraw/zinc/08/67/09/214086709.db2.gz UMDGVCGZZPNGOX-OTWHNJEPSA-N 2 1 314.473 2.838 20 0 DFADMP CC1(C)[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278317180 214086713 /nfs/dbraw/zinc/08/67/13/214086713.db2.gz UMDGVCGZZPNGOX-OTWHNJEPSA-N 2 1 314.473 2.838 20 0 DFADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365782537 282118863 /nfs/dbraw/zinc/11/88/63/282118863.db2.gz DJGCLECLOXWVNY-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000278459495 214167474 /nfs/dbraw/zinc/16/74/74/214167474.db2.gz JAIMOMLZXPOBJS-HUUCEWRRSA-N 2 1 324.440 2.986 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000309691763 231101690 /nfs/dbraw/zinc/10/16/90/231101690.db2.gz JFHATDDJRUTCOO-OALUTQOASA-N 2 1 300.446 2.808 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1)C1CCCCC1 ZINC000081524732 398356256 /nfs/dbraw/zinc/35/62/56/398356256.db2.gz YTDMWCLNWHDHPW-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1)C1CCCCC1 ZINC000081524732 398356258 /nfs/dbraw/zinc/35/62/58/398356258.db2.gz YTDMWCLNWHDHPW-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1)C1CCCCC1 ZINC000081524732 398356259 /nfs/dbraw/zinc/35/62/59/398356259.db2.gz YTDMWCLNWHDHPW-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2cc(Cl)cc(Cl)c2)CC1 ZINC000591908836 398351092 /nfs/dbraw/zinc/35/10/92/398351092.db2.gz GMISOIIKLBEYRL-UHFFFAOYSA-N 2 1 303.233 2.540 20 0 DFADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(OC)c(OC)c1 ZINC000320669314 529609227 /nfs/dbraw/zinc/60/92/27/529609227.db2.gz JGRJNODTCQYYNX-HNNXBMFYSA-N 2 1 303.406 2.950 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000277058533 282209703 /nfs/dbraw/zinc/20/97/03/282209703.db2.gz MZSXRPOLFLBHDP-HZPDHXFCSA-N 2 1 305.809 2.965 20 0 DFADMP CCn1nncc1CN1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000459360274 299087375 /nfs/dbraw/zinc/08/73/75/299087375.db2.gz GZNHIXKUJRRHRV-MRXNPFEDSA-N 2 1 319.497 2.775 20 0 DFADMP CCn1nncc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000459360274 299087381 /nfs/dbraw/zinc/08/73/81/299087381.db2.gz GZNHIXKUJRRHRV-MRXNPFEDSA-N 2 1 319.497 2.775 20 0 DFADMP CCn1nncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000459360274 299087385 /nfs/dbraw/zinc/08/73/85/299087385.db2.gz GZNHIXKUJRRHRV-MRXNPFEDSA-N 2 1 319.497 2.775 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364159 282248612 /nfs/dbraw/zinc/24/86/12/282248612.db2.gz WRUDCBOIKNMEMT-WJFTUGDTSA-N 2 1 301.478 2.800 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000092738769 185337743 /nfs/dbraw/zinc/33/77/43/185337743.db2.gz NCSHMCFOMKZTHY-JSGCOSHPSA-N 2 1 323.506 2.775 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000092738769 185337744 /nfs/dbraw/zinc/33/77/44/185337744.db2.gz NCSHMCFOMKZTHY-JSGCOSHPSA-N 2 1 323.506 2.775 20 0 DFADMP O=C(CC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000181462789 199300541 /nfs/dbraw/zinc/30/05/41/199300541.db2.gz ZFXHJKYIGNYVQB-SFHVURJKSA-N 2 1 316.445 2.538 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000181462789 199300542 /nfs/dbraw/zinc/30/05/42/199300542.db2.gz ZFXHJKYIGNYVQB-SFHVURJKSA-N 2 1 316.445 2.538 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459421790 299102415 /nfs/dbraw/zinc/10/24/15/299102415.db2.gz ZSXYCLRQPXLYRA-LJQANCHMSA-N 2 1 302.462 2.891 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433660 398425555 /nfs/dbraw/zinc/42/55/55/398425555.db2.gz OBQCAKCFLCEMDL-ZWKOTPCHSA-N 2 1 316.445 2.685 20 0 DFADMP C[N@H+](CCC[NH2+]Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000320124617 529891791 /nfs/dbraw/zinc/89/17/91/529891791.db2.gz PXYWIIPFMGFVBM-UHFFFAOYSA-N 2 1 314.424 2.892 20 0 DFADMP C[N@@H+](CCC[NH2+]Cc1cnn(CC(F)F)c1)C1CCCCC1 ZINC000320124617 529891792 /nfs/dbraw/zinc/89/17/92/529891792.db2.gz PXYWIIPFMGFVBM-UHFFFAOYSA-N 2 1 314.424 2.892 20 0 DFADMP c1sc(N2CCCC2)nc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459430638 299104802 /nfs/dbraw/zinc/10/48/02/299104802.db2.gz LFRDQWGBPCMWFP-UHFFFAOYSA-N 2 1 320.506 2.502 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000592492159 398433677 /nfs/dbraw/zinc/43/36/77/398433677.db2.gz SOOLSKXXNNXAAK-KGLIPLIRSA-N 2 1 322.474 2.746 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000592492158 398433750 /nfs/dbraw/zinc/43/37/50/398433750.db2.gz SOOLSKXXNNXAAK-KBPBESRZSA-N 2 1 322.474 2.746 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000263240713 398434123 /nfs/dbraw/zinc/43/41/23/398434123.db2.gz GGBIDKKKHIYRAD-WMZOPIPTSA-N 2 1 323.525 2.783 20 0 DFADMP C[C@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000263288370 398434588 /nfs/dbraw/zinc/43/45/88/398434588.db2.gz VMSIGJUOQSVPOC-JKSUJKDBSA-N 2 1 323.525 2.639 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000586754171 398453158 /nfs/dbraw/zinc/45/31/58/398453158.db2.gz UIYUZHUQODGTNC-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000586754171 398453159 /nfs/dbraw/zinc/45/31/59/398453159.db2.gz UIYUZHUQODGTNC-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1)C(C)C ZINC000586754171 398453161 /nfs/dbraw/zinc/45/31/61/398453161.db2.gz UIYUZHUQODGTNC-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP C[N@H+]1CCC[C@@H]1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000299598072 530056698 /nfs/dbraw/zinc/05/66/98/530056698.db2.gz XHLVRFOVKNNLEL-QGZVFWFLSA-N 2 1 301.434 2.705 20 0 DFADMP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000089667015 398463008 /nfs/dbraw/zinc/46/30/08/398463008.db2.gz BZUQSCBQZIAZOJ-UONOGXRCSA-N 2 1 305.491 2.781 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000090708536 398491814 /nfs/dbraw/zinc/49/18/14/398491814.db2.gz FKQPKQGGHFYYDU-SUMDDJOVSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907808 398496324 /nfs/dbraw/zinc/49/63/24/398496324.db2.gz YAPGZLFIAGRORG-PMACEKPBSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000302907808 398496327 /nfs/dbraw/zinc/49/63/27/398496327.db2.gz YAPGZLFIAGRORG-PMACEKPBSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000302907808 398496330 /nfs/dbraw/zinc/49/63/30/398496330.db2.gz YAPGZLFIAGRORG-PMACEKPBSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000302907808 398496333 /nfs/dbraw/zinc/49/63/33/398496333.db2.gz YAPGZLFIAGRORG-PMACEKPBSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000302907808 398496337 /nfs/dbraw/zinc/49/63/37/398496337.db2.gz YAPGZLFIAGRORG-PMACEKPBSA-N 2 1 315.505 2.971 20 0 DFADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC2CCC2)n1 ZINC000090911857 398497144 /nfs/dbraw/zinc/49/71/44/398497144.db2.gz BWRIAZCLBXJJRN-JKSUJKDBSA-N 2 1 301.434 2.729 20 0 DFADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC2CCC2)n1 ZINC000090911857 398497147 /nfs/dbraw/zinc/49/71/47/398497147.db2.gz BWRIAZCLBXJJRN-JKSUJKDBSA-N 2 1 301.434 2.729 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272691508 210097924 /nfs/dbraw/zinc/09/79/24/210097924.db2.gz POABDWRNGIPBCB-BTHPGYMESA-N 2 1 316.489 2.895 20 0 DFADMP C[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)OCCc2sccc21 ZINC000459567682 299135738 /nfs/dbraw/zinc/13/57/38/299135738.db2.gz VJODMBHTLYEABO-QGZVFWFLSA-N 2 1 306.475 2.752 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](c2cccnc2)C(C)C)CC1 ZINC000091285200 398525243 /nfs/dbraw/zinc/52/52/43/398525243.db2.gz AGHGGFDXQRVXNR-IBGZPJMESA-N 2 1 318.509 2.786 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCOCC1 ZINC000414079352 295764747 /nfs/dbraw/zinc/76/47/47/295764747.db2.gz BZVIJADZQHPZOL-LSDHHAIUSA-N 2 1 312.498 2.669 20 0 DFADMP CCc1oc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C(=O)OC ZINC000589206525 398538165 /nfs/dbraw/zinc/53/81/65/398538165.db2.gz PFZXNGJMQLSYKC-CZUORRHYSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1C(=O)OC ZINC000589206525 398538167 /nfs/dbraw/zinc/53/81/67/398538167.db2.gz PFZXNGJMQLSYKC-CZUORRHYSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1C(=O)OC ZINC000589206525 398538169 /nfs/dbraw/zinc/53/81/69/398538169.db2.gz PFZXNGJMQLSYKC-CZUORRHYSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1C(=O)OC ZINC000589206525 398538172 /nfs/dbraw/zinc/53/81/72/398538172.db2.gz PFZXNGJMQLSYKC-CZUORRHYSA-N 2 1 320.433 2.545 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000272613670 210014495 /nfs/dbraw/zinc/01/44/95/210014495.db2.gz WVXUBUPGNUDSHS-VAMGGRTRSA-N 2 1 324.472 2.903 20 0 DFADMP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000414199471 295777041 /nfs/dbraw/zinc/77/70/41/295777041.db2.gz XFZNETFSQFFDHS-HUUCEWRRSA-N 2 1 316.449 2.772 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)s1 ZINC000040622982 398562486 /nfs/dbraw/zinc/56/24/86/398562486.db2.gz KYQTYDDNOAUNPM-CQSZACIVSA-N 2 1 310.511 2.809 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)s1 ZINC000040622982 398562489 /nfs/dbraw/zinc/56/24/89/398562489.db2.gz KYQTYDDNOAUNPM-CQSZACIVSA-N 2 1 310.511 2.809 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000597151984 398577049 /nfs/dbraw/zinc/57/70/49/398577049.db2.gz UGWLEKVQBSZQAQ-ZDUSSCGKSA-N 2 1 324.852 2.948 20 0 DFADMP C[NH+](C/C=C/C[N@H+](C)C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000340171848 398578809 /nfs/dbraw/zinc/57/88/09/398578809.db2.gz MUANJHOPPBUWCP-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+](C/C=C/C[N@H+](C)C[C@@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000340171848 398578812 /nfs/dbraw/zinc/57/88/12/398578812.db2.gz MUANJHOPPBUWCP-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+](C/C=C/C[N@@H+](C)C[C@@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000340171848 398578814 /nfs/dbraw/zinc/57/88/14/398578814.db2.gz MUANJHOPPBUWCP-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@@H]21 ZINC000459666494 299159512 /nfs/dbraw/zinc/15/95/12/299159512.db2.gz CFYJHEOMFJLTBG-ROUUACIJSA-N 2 1 324.428 2.577 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188425 398593062 /nfs/dbraw/zinc/59/30/62/398593062.db2.gz GNXREZSZLYKUDC-UHFFFAOYSA-N 2 1 309.841 2.648 20 0 DFADMP CCn1c2ccccc2nc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093089365 398618659 /nfs/dbraw/zinc/61/86/59/398618659.db2.gz LKOWDYADULFTOA-UHFFFAOYSA-N 2 1 300.450 2.830 20 0 DFADMP CCc1cccc(C)c1NC(=O)CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152429537 186071881 /nfs/dbraw/zinc/07/18/81/186071881.db2.gz WQLDOTUZKRUEIR-MRXNPFEDSA-N 2 1 317.477 2.770 20 0 DFADMP C[NH+](C)C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000287149295 219344194 /nfs/dbraw/zinc/34/41/94/219344194.db2.gz SRHRVTAQEBAUFN-SQNIBIBYSA-N 2 1 305.441 2.645 20 0 DFADMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000287142913 219340757 /nfs/dbraw/zinc/34/07/57/219340757.db2.gz SJGDONZJYHQZQP-RPVQJOFSSA-N 2 1 305.441 2.643 20 0 DFADMP C[C@@H]1C[C@H](N[C@H](C[NH+](C)C)c2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000287142913 219340758 /nfs/dbraw/zinc/34/07/58/219340758.db2.gz SJGDONZJYHQZQP-RPVQJOFSSA-N 2 1 305.441 2.643 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000155980823 186124754 /nfs/dbraw/zinc/12/47/54/186124754.db2.gz RZJOPKMPHLVGAB-LALPHHSUSA-N 2 1 324.852 2.930 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000155980823 186124755 /nfs/dbraw/zinc/12/47/55/186124755.db2.gz RZJOPKMPHLVGAB-LALPHHSUSA-N 2 1 324.852 2.930 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C)CC[NH2+]C3)cc2)C1 ZINC000237479245 186295864 /nfs/dbraw/zinc/29/58/64/186295864.db2.gz FGKBMJVVZRGPLT-BEFAXECRSA-N 2 1 315.461 2.857 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@@H]3CCC=CO3)c2)CCO1 ZINC000194269595 186275164 /nfs/dbraw/zinc/27/51/64/186275164.db2.gz LZQWLTAMQIENHE-LPHOPBHVSA-N 2 1 316.445 2.690 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@@H]3CCC=CO3)c2)CCO1 ZINC000194269595 186275165 /nfs/dbraw/zinc/27/51/65/186275165.db2.gz LZQWLTAMQIENHE-LPHOPBHVSA-N 2 1 316.445 2.690 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459721000 299172574 /nfs/dbraw/zinc/17/25/74/299172574.db2.gz AAWHISVXWCDNMJ-JKSUJKDBSA-N 2 1 303.450 2.725 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCN2CCCC2=O)C1 ZINC000072974909 398651687 /nfs/dbraw/zinc/65/16/87/398651687.db2.gz GNGFOOYRKRDISL-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCN2CCCC2=O)C1 ZINC000072974909 398651689 /nfs/dbraw/zinc/65/16/89/398651689.db2.gz GNGFOOYRKRDISL-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCN2CCCC2=O)C1 ZINC000072974909 398651691 /nfs/dbraw/zinc/65/16/91/398651691.db2.gz GNGFOOYRKRDISL-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCN2CCCC2=O)C1 ZINC000072974909 398651693 /nfs/dbraw/zinc/65/16/93/398651693.db2.gz GNGFOOYRKRDISL-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000268738061 186372877 /nfs/dbraw/zinc/37/28/77/186372877.db2.gz OQIOPPIWKHKWCX-IEBWSBKVSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1ccnc1 ZINC000268738061 186372879 /nfs/dbraw/zinc/37/28/79/186372879.db2.gz OQIOPPIWKHKWCX-IEBWSBKVSA-N 2 1 312.461 2.773 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@@H]2CCC[N@H+](C)C2)o1 ZINC000459729270 299175008 /nfs/dbraw/zinc/17/50/08/299175008.db2.gz IWOWOCDXTVNMNA-AWEZNQCLSA-N 2 1 302.422 2.800 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1O ZINC000277232582 213383413 /nfs/dbraw/zinc/38/34/13/213383413.db2.gz NHTCKJUYHKBBII-AWEZNQCLSA-N 2 1 317.433 2.907 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000073086501 398661514 /nfs/dbraw/zinc/66/15/14/398661514.db2.gz DKNIPTYDTCMBSL-UHFFFAOYSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000073086501 398661516 /nfs/dbraw/zinc/66/15/16/398661516.db2.gz DKNIPTYDTCMBSL-UHFFFAOYSA-N 2 1 320.481 2.777 20 0 DFADMP Clc1sc(C[NH2+]C[C@H]2CC[NH2+]C2)cc1Br ZINC000414898180 295832053 /nfs/dbraw/zinc/83/20/53/295832053.db2.gz AUNQQKJGMDSOBI-ZETCQYMHSA-N 2 1 309.660 2.863 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C[C@H]1C ZINC000593647344 398664651 /nfs/dbraw/zinc/66/46/51/398664651.db2.gz XPECNBJOPFZKAI-IXDOHACOSA-N 2 1 312.498 2.922 20 0 DFADMP CCOc1cc(C[NH2+]C2(C)CC[NH2+]CC2)cc(Cl)c1OC ZINC000414939838 295837749 /nfs/dbraw/zinc/83/77/49/295837749.db2.gz JXBNPZLQRIIHAT-UHFFFAOYSA-N 2 1 312.841 2.979 20 0 DFADMP COc1cc2c(NCCC[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000280119025 215389784 /nfs/dbraw/zinc/38/97/84/215389784.db2.gz WQSBLOONMKFRMH-UHFFFAOYSA-N 2 1 319.380 2.517 20 0 DFADMP CC(C)(C)OC(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121794956 282817469 /nfs/dbraw/zinc/81/74/69/282817469.db2.gz FZLPRGITPLRBRL-UHFFFAOYSA-N 2 1 310.482 2.916 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(Br)cs1 ZINC000050973949 425882628 /nfs/dbraw/zinc/88/26/28/425882628.db2.gz ZEFXBLYWFKHBOY-UHFFFAOYSA-N 2 1 300.225 2.805 20 0 DFADMP CCn1nc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000459778592 299189440 /nfs/dbraw/zinc/18/94/40/299189440.db2.gz LCPPRESZSKZVEW-OAHLLOKOSA-N 2 1 300.450 2.878 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000590787121 398675468 /nfs/dbraw/zinc/67/54/68/398675468.db2.gz XJDZVMFPNFXWKY-QGZVFWFLSA-N 2 1 323.525 2.686 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000072637732 191207997 /nfs/dbraw/zinc/20/79/97/191207997.db2.gz QBEZKSQWUZZIGE-MRXNPFEDSA-N 2 1 303.450 2.597 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000072637732 191208000 /nfs/dbraw/zinc/20/80/00/191208000.db2.gz QBEZKSQWUZZIGE-MRXNPFEDSA-N 2 1 303.450 2.597 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000072637732 191208003 /nfs/dbraw/zinc/20/80/03/191208003.db2.gz QBEZKSQWUZZIGE-MRXNPFEDSA-N 2 1 303.450 2.597 20 0 DFADMP CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000172828347 198154845 /nfs/dbraw/zinc/15/48/45/198154845.db2.gz BYNXFJHPSFAYAB-GOSISDBHSA-N 2 1 318.461 2.955 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)n1-c1ccccc1 ZINC000415009009 295847067 /nfs/dbraw/zinc/84/70/67/295847067.db2.gz SZBVCUFQQBKRAN-CQSZACIVSA-N 2 1 320.387 2.515 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415005616 295846431 /nfs/dbraw/zinc/84/64/31/295846431.db2.gz PJGAHJNQHMAJPS-CYBMUJFWSA-N 2 1 324.350 2.550 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858034 191238788 /nfs/dbraw/zinc/23/87/88/191238788.db2.gz MOYXVDGQXGVJKH-MRXNPFEDSA-N 2 1 303.450 2.597 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858034 191238791 /nfs/dbraw/zinc/23/87/91/191238791.db2.gz MOYXVDGQXGVJKH-MRXNPFEDSA-N 2 1 303.450 2.597 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858034 191238793 /nfs/dbraw/zinc/23/87/93/191238793.db2.gz MOYXVDGQXGVJKH-MRXNPFEDSA-N 2 1 303.450 2.597 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cncc(Br)c2)C1 ZINC000459785735 299192564 /nfs/dbraw/zinc/19/25/64/299192564.db2.gz PCSACMLIODTIRS-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H](C[NH3+])C2CCCC2)CC1 ZINC000415061413 295853291 /nfs/dbraw/zinc/85/32/91/295853291.db2.gz CQXXDFMPKFUGTH-INIZCTEOSA-N 2 1 309.498 2.521 20 0 DFADMP COc1cccc(C[NH2+]CCC[NH2+]C2CC2)c1OC(F)F ZINC000415064089 295853642 /nfs/dbraw/zinc/85/36/42/295853642.db2.gz BRGAABLQLJFUDP-UHFFFAOYSA-N 2 1 300.349 2.528 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000401658858 398688288 /nfs/dbraw/zinc/68/82/88/398688288.db2.gz WMCCDCWSCLPLSE-UHFFFAOYSA-N 2 1 321.808 2.567 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277135898 213318380 /nfs/dbraw/zinc/31/83/80/213318380.db2.gz IRDQCGKCXCOOFK-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000277135898 213318382 /nfs/dbraw/zinc/31/83/82/213318382.db2.gz IRDQCGKCXCOOFK-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911295 198266901 /nfs/dbraw/zinc/26/69/01/198266901.db2.gz PMWYRFBNUTXHGW-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911295 198266902 /nfs/dbraw/zinc/26/69/02/198266902.db2.gz PMWYRFBNUTXHGW-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000173911295 198266904 /nfs/dbraw/zinc/26/69/04/198266904.db2.gz PMWYRFBNUTXHGW-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000415088017 295856585 /nfs/dbraw/zinc/85/65/85/295856585.db2.gz WWBROHYTDCJPQQ-DGCLKSJQSA-N 2 1 317.355 2.643 20 0 DFADMP Fc1cccc(Oc2ccc(C[NH2+]C3CC[NH2+]CC3)cn2)c1 ZINC000415096569 295857452 /nfs/dbraw/zinc/85/74/52/295857452.db2.gz BLIBTVQFTHTWJN-UHFFFAOYSA-N 2 1 301.365 2.855 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H](C)C1 ZINC000174629754 198361997 /nfs/dbraw/zinc/36/19/97/198361997.db2.gz SDANLHFNTVHCFZ-IUODEOHRSA-N 2 1 324.852 2.931 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H](C)C1 ZINC000174629754 198361998 /nfs/dbraw/zinc/36/19/98/198361998.db2.gz SDANLHFNTVHCFZ-IUODEOHRSA-N 2 1 324.852 2.931 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2OCCO3)[C@H](C)C1 ZINC000174774972 198383268 /nfs/dbraw/zinc/38/32/68/198383268.db2.gz OIJRXPIGKVQXEN-ZBFHGGJFSA-N 2 1 304.434 2.620 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000277063000 213269643 /nfs/dbraw/zinc/26/96/43/213269643.db2.gz NNCQHWGDLKABTA-JYJNAYRXSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129099712 283002019 /nfs/dbraw/zinc/00/20/19/283002019.db2.gz FWQSPXCJQLFGCE-INMHGKMJSA-N 2 1 307.457 2.970 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C)c2ccccc2F)[C@H](C)C1 ZINC000129093784 283002170 /nfs/dbraw/zinc/00/21/70/283002170.db2.gz RDRDMIHIZAHOAB-NVXWUHKLSA-N 2 1 307.457 2.972 20 0 DFADMP C[N@H+]1CC[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000591097635 398726807 /nfs/dbraw/zinc/72/68/07/398726807.db2.gz YATGEZUTOAXELL-MRXNPFEDSA-N 2 1 301.434 2.563 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130742435 283059307 /nfs/dbraw/zinc/05/93/07/283059307.db2.gz XIQQLRSCOXTOTP-NVXWUHKLSA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130742435 283059313 /nfs/dbraw/zinc/05/93/13/283059313.db2.gz XIQQLRSCOXTOTP-NVXWUHKLSA-N 2 1 320.481 2.693 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000236812384 202022143 /nfs/dbraw/zinc/02/21/43/202022143.db2.gz AWFJTNCLDVCVQS-DZGCQCFKSA-N 2 1 301.434 2.868 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000236812384 202022146 /nfs/dbraw/zinc/02/21/46/202022146.db2.gz AWFJTNCLDVCVQS-DZGCQCFKSA-N 2 1 301.434 2.868 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000074249558 191352574 /nfs/dbraw/zinc/35/25/74/191352574.db2.gz WTRCVPXHTCFGTH-MRXNPFEDSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000074249558 191352576 /nfs/dbraw/zinc/35/25/76/191352576.db2.gz WTRCVPXHTCFGTH-MRXNPFEDSA-N 2 1 320.481 2.633 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1)C1CC1 ZINC000131876420 283102518 /nfs/dbraw/zinc/10/25/18/283102518.db2.gz VETLTCDUJRGVBQ-UHFFFAOYSA-N 2 1 315.461 2.671 20 0 DFADMP CC(C)c1cc(N(C)CC[C@@H]2CCCC[N@@H+]2C)nc(N(C)C)[nH+]1 ZINC000463083951 299234806 /nfs/dbraw/zinc/23/48/06/299234806.db2.gz MSMQTCXFOHGLMA-HNNXBMFYSA-N 2 1 319.497 2.977 20 0 DFADMP CC(C)c1cc(N(C)CC[C@@H]2CCCC[N@H+]2C)nc(N(C)C)[nH+]1 ZINC000463083951 299234808 /nfs/dbraw/zinc/23/48/08/299234808.db2.gz MSMQTCXFOHGLMA-HNNXBMFYSA-N 2 1 319.497 2.977 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000132757973 283129111 /nfs/dbraw/zinc/12/91/11/283129111.db2.gz ZBHGQCIPKXPMFF-OAHLLOKOSA-N 2 1 309.417 2.803 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236843303 202033730 /nfs/dbraw/zinc/03/37/30/202033730.db2.gz TYJYYWUXKPIYHU-MSOLQXFVSA-N 2 1 317.477 2.532 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2)CC1 ZINC000236859090 202039954 /nfs/dbraw/zinc/03/99/54/202039954.db2.gz XPCZBJQGTNMXAH-AWEZNQCLSA-N 2 1 306.450 2.709 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000236888232 202054599 /nfs/dbraw/zinc/05/45/99/202054599.db2.gz XTOFWKCEMZTOOX-ROUUACIJSA-N 2 1 317.477 2.703 20 0 DFADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591741513 398783804 /nfs/dbraw/zinc/78/38/04/398783804.db2.gz QTDDDDCRBAKWAY-KZNAEPCWSA-N 2 1 322.518 2.743 20 0 DFADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591741513 398783808 /nfs/dbraw/zinc/78/38/08/398783808.db2.gz QTDDDDCRBAKWAY-KZNAEPCWSA-N 2 1 322.518 2.743 20 0 DFADMP COC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000123177470 398796613 /nfs/dbraw/zinc/79/66/13/398796613.db2.gz MEISYOZAJICNTM-IBGZPJMESA-N 2 1 304.478 2.954 20 0 DFADMP CCC[C@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000136206418 283237160 /nfs/dbraw/zinc/23/71/60/283237160.db2.gz RVPPUXIXCQCLBP-IXDOHACOSA-N 2 1 311.514 2.591 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)Cn2cccn2)cc1F ZINC000138220206 283256475 /nfs/dbraw/zinc/25/64/75/283256475.db2.gz BBIROXZSFXDDEE-CYBMUJFWSA-N 2 1 313.380 2.695 20 0 DFADMP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151111059 283276352 /nfs/dbraw/zinc/27/63/52/283276352.db2.gz VYIXLFCFBHWIPW-HZPDHXFCSA-N 2 1 319.449 2.856 20 0 DFADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151115326 283276684 /nfs/dbraw/zinc/27/66/84/283276684.db2.gz REIONPZZMFZYTG-CVEARBPZSA-N 2 1 319.449 2.856 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493390 398808724 /nfs/dbraw/zinc/80/87/24/398808724.db2.gz HLUNJUORJDLXLX-RDTXWAMCSA-N 2 1 316.445 2.782 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCn1cc[nH+]c1C)CCC2 ZINC000594493012 398809062 /nfs/dbraw/zinc/80/90/62/398809062.db2.gz CKTCVRPIKGXYOI-QGZVFWFLSA-N 2 1 313.401 2.645 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000594495900 398809454 /nfs/dbraw/zinc/80/94/54/398809454.db2.gz FEDMNVCEPMNQLW-QANKJYHBSA-N 2 1 316.445 2.923 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000594495900 398809457 /nfs/dbraw/zinc/80/94/57/398809457.db2.gz FEDMNVCEPMNQLW-QANKJYHBSA-N 2 1 316.445 2.923 20 0 DFADMP CC(C)CSCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594499206 398810319 /nfs/dbraw/zinc/81/03/19/398810319.db2.gz BFHGGWHGSRVXSX-INIZCTEOSA-N 2 1 300.512 2.609 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000075630623 398814239 /nfs/dbraw/zinc/81/42/39/398814239.db2.gz JRMBNVXNYLPCJA-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)[C@@H]1C ZINC000354643281 291122732 /nfs/dbraw/zinc/12/27/32/291122732.db2.gz FRBOJYNYXQZJOM-YVSFHVDLSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4cncc4C3)c2C1 ZINC000152065839 283307948 /nfs/dbraw/zinc/30/79/48/283307948.db2.gz HKERJHUTFZSTJY-CQSZACIVSA-N 2 1 324.428 2.810 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCn4cncc4C3)c2C1 ZINC000152065839 283307951 /nfs/dbraw/zinc/30/79/51/283307951.db2.gz HKERJHUTFZSTJY-CQSZACIVSA-N 2 1 324.428 2.810 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000076032313 398834449 /nfs/dbraw/zinc/83/44/49/398834449.db2.gz QBFSKWOYEAPHOD-SFTDATJTSA-N 2 1 324.468 2.969 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C1 ZINC000076032313 398834450 /nfs/dbraw/zinc/83/44/50/398834450.db2.gz QBFSKWOYEAPHOD-SFTDATJTSA-N 2 1 324.468 2.969 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1 ZINC000076032313 398834454 /nfs/dbraw/zinc/83/44/54/398834454.db2.gz QBFSKWOYEAPHOD-SFTDATJTSA-N 2 1 324.468 2.969 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1 ZINC000076032313 398834456 /nfs/dbraw/zinc/83/44/56/398834456.db2.gz QBFSKWOYEAPHOD-SFTDATJTSA-N 2 1 324.468 2.969 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000594608680 398831144 /nfs/dbraw/zinc/83/11/44/398831144.db2.gz YNZVDZVMQDFRCN-HNNXBMFYSA-N 2 1 322.449 2.832 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c(C)o1 ZINC000594608680 398831146 /nfs/dbraw/zinc/83/11/46/398831146.db2.gz YNZVDZVMQDFRCN-HNNXBMFYSA-N 2 1 322.449 2.832 20 0 DFADMP C[NH+](C)CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180104439 199117175 /nfs/dbraw/zinc/11/71/75/199117175.db2.gz SESOHOMVQCOFPK-YQQQUEKLSA-N 3 1 301.478 2.723 20 0 DFADMP Cn1nccc1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180107266 199117520 /nfs/dbraw/zinc/11/75/20/199117520.db2.gz KGUDZLKTFDTSHE-AYHJJNSGSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180107266 199117522 /nfs/dbraw/zinc/11/75/22/199117522.db2.gz KGUDZLKTFDTSHE-AYHJJNSGSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180107266 199117523 /nfs/dbraw/zinc/11/75/23/199117523.db2.gz KGUDZLKTFDTSHE-AYHJJNSGSA-N 2 1 310.445 2.705 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([S@](C)=O)cc1 ZINC000278797412 299273264 /nfs/dbraw/zinc/27/32/64/299273264.db2.gz QWCGQDYKNCMQRG-YGQVMDMGSA-N 2 1 306.475 2.700 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCCOCCOCc2ccccc2)CC[N@H+]1C ZINC000180231710 199133891 /nfs/dbraw/zinc/13/38/91/199133891.db2.gz DKPMOLWIJGSOEV-HKUYNNGSSA-N 2 1 320.477 2.682 20 0 DFADMP C[C@@H]1CCC[C@](C[NH2+]C2CCN(CC(F)F)CC2)([NH+](C)C)C1 ZINC000131255021 398850225 /nfs/dbraw/zinc/85/02/25/398850225.db2.gz CTGUCFLHAUSVQT-PBHICJAKSA-N 2 1 317.468 2.816 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000594917024 398870376 /nfs/dbraw/zinc/87/03/76/398870376.db2.gz FXVOWDWNZDFFLR-BMGDILEWSA-N 2 1 318.461 2.814 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000594920936 398871853 /nfs/dbraw/zinc/87/18/53/398871853.db2.gz CGXSKFLZRGFMFF-BMGDILEWSA-N 2 1 318.461 2.814 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000594922917 398872196 /nfs/dbraw/zinc/87/21/96/398872196.db2.gz CGXSKFLZRGFMFF-ZTFGCOKTSA-N 2 1 318.461 2.814 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000594941769 398877426 /nfs/dbraw/zinc/87/74/26/398877426.db2.gz UQRIEILHUQOBDJ-CWLKWCNXSA-N 2 1 318.461 2.684 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000594941773 398877637 /nfs/dbraw/zinc/87/76/37/398877637.db2.gz UQRIEILHUQOBDJ-JOCBIADPSA-N 2 1 318.461 2.684 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccccc2OC)N(C)C)[C@H](C)C1 ZINC000153290735 283361334 /nfs/dbraw/zinc/36/13/34/283361334.db2.gz KDYHZYBPYHDWBQ-NJAFHUGGSA-N 2 1 319.493 2.618 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000180998707 199238614 /nfs/dbraw/zinc/23/86/14/199238614.db2.gz UIIBQTIFNBAXCB-LPWQTFTOSA-N 2 1 312.457 2.555 20 0 DFADMP CC(C)[N@@H+](C)CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000172810675 283386285 /nfs/dbraw/zinc/38/62/85/283386285.db2.gz VHWGHLSAGHTAQZ-UHFFFAOYSA-N 2 1 317.433 2.564 20 0 DFADMP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000595013865 398891702 /nfs/dbraw/zinc/89/17/02/398891702.db2.gz ULJOTCSIAPYQFV-KBPBESRZSA-N 2 1 309.454 2.785 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000447092128 297295078 /nfs/dbraw/zinc/29/50/78/297295078.db2.gz YCCDKLTUXUYZKB-UONOGXRCSA-N 2 1 323.506 2.802 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000447092128 297295080 /nfs/dbraw/zinc/29/50/80/297295080.db2.gz YCCDKLTUXUYZKB-UONOGXRCSA-N 2 1 323.506 2.802 20 0 DFADMP C(C[NH+]1CCCO[C@H]2CCC[C@@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000077316980 398897676 /nfs/dbraw/zinc/89/76/76/398897676.db2.gz ROQKJHVQXMACGJ-CADBVGFASA-N 2 1 322.493 2.663 20 0 DFADMP C(C[NH+]1CCCO[C@@H]2CCC[C@@H]21)C[N@@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316980 398897680 /nfs/dbraw/zinc/89/76/80/398897680.db2.gz ROQKJHVQXMACGJ-CADBVGFASA-N 2 1 322.493 2.663 20 0 DFADMP C(C[NH+]1CCCO[C@@H]2CCC[C@@H]21)C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316980 398897685 /nfs/dbraw/zinc/89/76/85/398897685.db2.gz ROQKJHVQXMACGJ-CADBVGFASA-N 2 1 322.493 2.663 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000186789292 200011321 /nfs/dbraw/zinc/01/13/21/200011321.db2.gz WOBKMHWOVIVDIS-PXTPFGJHSA-N 2 1 314.473 2.790 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1C ZINC000598995207 398905113 /nfs/dbraw/zinc/90/51/13/398905113.db2.gz VXVKLHYBMNATRL-OAHLLOKOSA-N 2 1 321.465 2.630 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000187120052 200065226 /nfs/dbraw/zinc/06/52/26/200065226.db2.gz IDZORUFPMBDUKJ-RBOXIYTFSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[N@H+]1C ZINC000187120052 200065228 /nfs/dbraw/zinc/06/52/28/200065228.db2.gz IDZORUFPMBDUKJ-RBOXIYTFSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[NH+]1C ZINC000187120052 200065229 /nfs/dbraw/zinc/06/52/29/200065229.db2.gz IDZORUFPMBDUKJ-RBOXIYTFSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[NH+]1C ZINC000187120052 200065231 /nfs/dbraw/zinc/06/52/31/200065231.db2.gz IDZORUFPMBDUKJ-RBOXIYTFSA-N 2 1 314.832 2.927 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCCC[N@H+](C)C2)c1 ZINC000599071648 398917143 /nfs/dbraw/zinc/91/71/43/398917143.db2.gz RUAKSRHUDQRIMV-CHWSQXEVSA-N 2 1 310.463 2.917 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000599071648 398917145 /nfs/dbraw/zinc/91/71/45/398917145.db2.gz RUAKSRHUDQRIMV-CHWSQXEVSA-N 2 1 310.463 2.917 20 0 DFADMP CC[C@@H](CC(F)F)C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337061 398924177 /nfs/dbraw/zinc/92/41/77/398924177.db2.gz JJPBNPJXCHQADX-HOTGVXAUSA-N 2 1 317.468 2.768 20 0 DFADMP O[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000189326174 200381931 /nfs/dbraw/zinc/38/19/31/200381931.db2.gz VBTXVBZEPPONES-APWZRJJASA-N 2 1 320.452 2.583 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000247120289 291217836 /nfs/dbraw/zinc/21/78/36/291217836.db2.gz MLHDBDCHMWWXNJ-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000247120289 291217838 /nfs/dbraw/zinc/21/78/38/291217838.db2.gz MLHDBDCHMWWXNJ-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000247120289 291217841 /nfs/dbraw/zinc/21/78/41/291217841.db2.gz MLHDBDCHMWWXNJ-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@H]1OCCc2sccc21 ZINC000292420499 223065661 /nfs/dbraw/zinc/06/56/61/223065661.db2.gz MSMRDQMMQFZJJJ-BLLLJJGKSA-N 2 1 305.447 2.935 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000599291140 398948272 /nfs/dbraw/zinc/94/82/72/398948272.db2.gz GWLRUPNQOAWCEJ-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC000599306365 398951367 /nfs/dbraw/zinc/95/13/67/398951367.db2.gz ZWECIROMOFHOKV-QGZVFWFLSA-N 2 1 303.450 2.951 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H]2CCCC[N@H+]2C)c1 ZINC000599306365 398951371 /nfs/dbraw/zinc/95/13/71/398951371.db2.gz ZWECIROMOFHOKV-QGZVFWFLSA-N 2 1 303.450 2.951 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000271894446 209302786 /nfs/dbraw/zinc/30/27/86/209302786.db2.gz SYEOCRXCWLYNKP-OAHLLOKOSA-N 2 1 315.461 2.872 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cc2ccccc2o1 ZINC000292699177 223208176 /nfs/dbraw/zinc/20/81/76/223208176.db2.gz AIUHERIASLDWKY-NVXWUHKLSA-N 2 1 314.429 2.884 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1cc2ccccc2o1 ZINC000292699177 223208178 /nfs/dbraw/zinc/20/81/78/223208178.db2.gz AIUHERIASLDWKY-NVXWUHKLSA-N 2 1 314.429 2.884 20 0 DFADMP c1cc(CCC[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc2c1OCC2 ZINC000193269884 201017156 /nfs/dbraw/zinc/01/71/56/201017156.db2.gz PXWRADIYWVZNSR-MRXNPFEDSA-N 2 1 300.446 2.628 20 0 DFADMP C[C@@H](C[S@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193280491 201018965 /nfs/dbraw/zinc/01/89/65/201018965.db2.gz JPPYYWLFSBXTNR-GWLTWCBASA-N 2 1 320.502 2.539 20 0 DFADMP C[C@@H](C[S@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193280491 201018966 /nfs/dbraw/zinc/01/89/66/201018966.db2.gz JPPYYWLFSBXTNR-GWLTWCBASA-N 2 1 320.502 2.539 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475921 216325937 /nfs/dbraw/zinc/32/59/37/216325937.db2.gz FLNXZDNSWZIPEX-KDOFPFPSSA-N 2 1 321.440 2.762 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475921 216325938 /nfs/dbraw/zinc/32/59/38/216325938.db2.gz FLNXZDNSWZIPEX-KDOFPFPSSA-N 2 1 321.440 2.762 20 0 DFADMP Cn1cnc2cc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc21 ZINC000271873373 209286410 /nfs/dbraw/zinc/28/64/10/209286410.db2.gz SQDHLZKHCFBARR-KRWDZBQOSA-N 2 1 312.461 2.881 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)ccc21 ZINC000271873373 209286414 /nfs/dbraw/zinc/28/64/14/209286414.db2.gz SQDHLZKHCFBARR-KRWDZBQOSA-N 2 1 312.461 2.881 20 0 DFADMP CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000599425647 398977881 /nfs/dbraw/zinc/97/78/81/398977881.db2.gz LBFCBGFSXUIBPB-YJBOKZPZSA-N 2 1 310.482 2.770 20 0 DFADMP CC(C)C[C@@H](C(=O)OC(C)(C)C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000599425520 398978343 /nfs/dbraw/zinc/97/83/43/398978343.db2.gz LBFCBGFSXUIBPB-MAUKXSAKSA-N 2 1 310.482 2.770 20 0 DFADMP O[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000271861916 209277612 /nfs/dbraw/zinc/27/76/12/209277612.db2.gz OFHKJXRNHKCNDV-MSOLQXFVSA-N 2 1 306.425 2.713 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000078974364 399003718 /nfs/dbraw/zinc/00/37/18/399003718.db2.gz MTRDCOPWHMESGS-JKSUJKDBSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000078974364 399003724 /nfs/dbraw/zinc/00/37/24/399003724.db2.gz MTRDCOPWHMESGS-JKSUJKDBSA-N 2 1 323.481 2.602 20 0 DFADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@@H+](C)Cc1ccccc1 ZINC000296114122 291306446 /nfs/dbraw/zinc/30/64/46/291306446.db2.gz XYVLHWWYUGGJSO-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP CCCC[C@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000475085155 299342721 /nfs/dbraw/zinc/34/27/21/299342721.db2.gz FDFMAHMGPKKORM-KKUMJFAQSA-N 2 1 323.460 2.628 20 0 DFADMP CCn1cncc1C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417901464 296061888 /nfs/dbraw/zinc/06/18/88/296061888.db2.gz NSOWAQQURLBTBG-SFHVURJKSA-N 2 1 312.461 2.557 20 0 DFADMP CCn1cncc1C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417901464 296061890 /nfs/dbraw/zinc/06/18/90/296061890.db2.gz NSOWAQQURLBTBG-SFHVURJKSA-N 2 1 312.461 2.557 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292939207 223318359 /nfs/dbraw/zinc/31/83/59/223318359.db2.gz JTYPPUITNLOUDZ-LJQANCHMSA-N 2 1 312.461 2.534 20 0 DFADMP COCc1cc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271813903 209236507 /nfs/dbraw/zinc/23/65/07/209236507.db2.gz BDBVCJZXPUAFFP-CQSZACIVSA-N 2 1 304.434 2.754 20 0 DFADMP CCn1nncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000417951223 296065764 /nfs/dbraw/zinc/06/57/64/296065764.db2.gz YHBNDMHKFATJDV-XJKSGUPXSA-N 2 1 319.478 2.532 20 0 DFADMP CCn1nncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000417951223 296065765 /nfs/dbraw/zinc/06/57/65/296065765.db2.gz YHBNDMHKFATJDV-XJKSGUPXSA-N 2 1 319.478 2.532 20 0 DFADMP C[N@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000275426908 212325906 /nfs/dbraw/zinc/32/59/06/212325906.db2.gz FMHVVIXZTMNTIP-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[NH+](C)C1 ZINC000275426908 212325908 /nfs/dbraw/zinc/32/59/08/212325908.db2.gz FMHVVIXZTMNTIP-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[N@H+](C)C1 ZINC000275426908 212325910 /nfs/dbraw/zinc/32/59/10/212325910.db2.gz FMHVVIXZTMNTIP-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@H](O)c1ccccc1C(F)(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000275426908 212325912 /nfs/dbraw/zinc/32/59/12/212325912.db2.gz FMHVVIXZTMNTIP-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)n(C)n1 ZINC000418003626 296070594 /nfs/dbraw/zinc/07/05/94/296070594.db2.gz YXAYMEMMPMNTQE-OAHLLOKOSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)n(C)n1 ZINC000418003626 296070596 /nfs/dbraw/zinc/07/05/96/296070596.db2.gz YXAYMEMMPMNTQE-OAHLLOKOSA-N 2 1 313.449 2.559 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCC[C@@H]21 ZINC000599653099 399047078 /nfs/dbraw/zinc/04/70/78/399047078.db2.gz IUSGPXOWSRMGPH-ZACQAIPSSA-N 2 1 308.466 2.526 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1ccc(Cl)cc1 ZINC000613659225 399051713 /nfs/dbraw/zinc/05/17/13/399051713.db2.gz ABFNAPPEJZEIGP-BZUAXINKSA-N 2 1 323.868 2.542 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000293031615 223361951 /nfs/dbraw/zinc/36/19/51/223361951.db2.gz PVGUKUIMMJPAKQ-LPHOPBHVSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000293031615 223361952 /nfs/dbraw/zinc/36/19/52/223361952.db2.gz PVGUKUIMMJPAKQ-LPHOPBHVSA-N 2 1 324.472 2.970 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@@H](C)C1 ZINC000621768375 399073063 /nfs/dbraw/zinc/07/30/63/399073063.db2.gz OBHKAPYVHCIIDN-ZNMIVQPWSA-N 2 1 304.425 2.758 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253541 193181639 /nfs/dbraw/zinc/18/16/39/193181639.db2.gz HLNKIUGCUMKGRX-CYBMUJFWSA-N 2 1 304.463 2.912 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CCC[NH+](C)C1 ZINC000092253541 193181642 /nfs/dbraw/zinc/18/16/42/193181642.db2.gz HLNKIUGCUMKGRX-CYBMUJFWSA-N 2 1 304.463 2.912 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CCC[N@H+](C)C1 ZINC000092253541 193181643 /nfs/dbraw/zinc/18/16/43/193181643.db2.gz HLNKIUGCUMKGRX-CYBMUJFWSA-N 2 1 304.463 2.912 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000092253541 193181644 /nfs/dbraw/zinc/18/16/44/193181644.db2.gz HLNKIUGCUMKGRX-CYBMUJFWSA-N 2 1 304.463 2.912 20 0 DFADMP Cc1c[nH+]ccc1N1CCC([N@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000418932764 296121077 /nfs/dbraw/zinc/12/10/77/296121077.db2.gz AHZHDFLCJOOEJB-UHFFFAOYSA-N 2 1 319.449 2.632 20 0 DFADMP Cc1c[nH+]ccc1N1CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC1 ZINC000418932764 296121080 /nfs/dbraw/zinc/12/10/80/296121080.db2.gz AHZHDFLCJOOEJB-UHFFFAOYSA-N 2 1 319.449 2.632 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000247119798 296122088 /nfs/dbraw/zinc/12/20/88/296122088.db2.gz UOVULTHNAVFXGU-QLFBSQMISA-N 2 1 309.429 2.761 20 0 DFADMP C[C@@H]1C[N@H+](CCO)[C@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000418996558 296123285 /nfs/dbraw/zinc/12/32/85/296123285.db2.gz FKXLPHRVEVFNDA-CHWSQXEVSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H]1C[N@@H+](CCO)[C@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000418996558 296123286 /nfs/dbraw/zinc/12/32/86/296123286.db2.gz FKXLPHRVEVFNDA-CHWSQXEVSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275140531 212146347 /nfs/dbraw/zinc/14/63/47/212146347.db2.gz RLMUSIKGXREWJD-WNHJNPCNSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1cc(N2C[C@H](C)[N@H+](CCO)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000419005390 296123794 /nfs/dbraw/zinc/12/37/94/296123794.db2.gz PIKNTTXPRXGBKJ-KBPBESRZSA-N 2 1 317.408 2.574 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000261648138 203087593 /nfs/dbraw/zinc/08/75/93/203087593.db2.gz JIHVUPYMPKDRIW-GDBMZVCRSA-N 2 1 304.434 2.668 20 0 DFADMP C[N@@H+](CCN1CC[NH+](C2CCCC2)CC1)Cc1ccccc1 ZINC000093105031 193204614 /nfs/dbraw/zinc/20/46/14/193204614.db2.gz MMVPYGQSKOMREE-UHFFFAOYSA-N 2 1 301.478 2.679 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H]1COc1cccnc1C ZINC000419396879 296139930 /nfs/dbraw/zinc/13/99/30/296139930.db2.gz WPVJVIXMMXOULK-QGZVFWFLSA-N 2 1 305.466 2.965 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000419396879 296139931 /nfs/dbraw/zinc/13/99/31/296139931.db2.gz WPVJVIXMMXOULK-QGZVFWFLSA-N 2 1 305.466 2.965 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1)C(C)C ZINC000262597730 203344753 /nfs/dbraw/zinc/34/47/53/203344753.db2.gz ZKBFLESTYVVADV-UHFFFAOYSA-N 2 1 319.493 2.974 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340293695 284169104 /nfs/dbraw/zinc/16/91/04/284169104.db2.gz UQKFAGJHGUGBHV-IRXDYDNUSA-N 2 1 317.477 2.716 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340293695 284169107 /nfs/dbraw/zinc/16/91/07/284169107.db2.gz UQKFAGJHGUGBHV-IRXDYDNUSA-N 2 1 317.477 2.716 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093693677 193291236 /nfs/dbraw/zinc/29/12/36/193291236.db2.gz OTOGPIYHRLHQSB-HNNXBMFYSA-N 2 1 313.449 2.635 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093693677 193291239 /nfs/dbraw/zinc/29/12/39/193291239.db2.gz OTOGPIYHRLHQSB-HNNXBMFYSA-N 2 1 313.449 2.635 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305341 284171809 /nfs/dbraw/zinc/17/18/09/284171809.db2.gz HMJHAJCYDAFNSI-BRWVUGGUSA-N 2 1 308.491 2.526 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305341 284171811 /nfs/dbraw/zinc/17/18/11/284171811.db2.gz HMJHAJCYDAFNSI-BRWVUGGUSA-N 2 1 308.491 2.526 20 0 DFADMP COCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093644886 193280879 /nfs/dbraw/zinc/28/08/79/193280879.db2.gz WOIJVLIEQIBSRF-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093644886 193280881 /nfs/dbraw/zinc/28/08/81/193280881.db2.gz WOIJVLIEQIBSRF-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093644886 193280883 /nfs/dbraw/zinc/28/08/83/193280883.db2.gz WOIJVLIEQIBSRF-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093644886 193280885 /nfs/dbraw/zinc/28/08/85/193280885.db2.gz WOIJVLIEQIBSRF-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000340520659 284186350 /nfs/dbraw/zinc/18/63/50/284186350.db2.gz SVVTYWHIOXBHHQ-SFHVURJKSA-N 2 1 315.465 2.687 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c1C ZINC000600106875 399137354 /nfs/dbraw/zinc/13/73/54/399137354.db2.gz IXIDBGCGDILCFN-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1C ZINC000600106875 399137356 /nfs/dbraw/zinc/13/73/56/399137356.db2.gz IXIDBGCGDILCFN-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1C ZINC000600106875 399137362 /nfs/dbraw/zinc/13/73/62/399137362.db2.gz IXIDBGCGDILCFN-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1C ZINC000600106875 399137367 /nfs/dbraw/zinc/13/73/67/399137367.db2.gz IXIDBGCGDILCFN-HNNXBMFYSA-N 2 1 321.465 2.582 20 0 DFADMP C[C@H]1C[NH2+]CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000420178373 296160665 /nfs/dbraw/zinc/16/06/65/296160665.db2.gz UEFYONMWZJYWCN-JTQLQIEISA-N 2 1 306.207 2.795 20 0 DFADMP Brc1ccc2[nH+]ccc(N[C@H]3CCC[NH2+]C3)c2c1 ZINC000420191644 296161573 /nfs/dbraw/zinc/16/15/73/296161573.db2.gz XOWABMHIXUJQNC-NSHDSACASA-N 2 1 306.207 2.583 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)CC[NH2+]1 ZINC000420217971 296163182 /nfs/dbraw/zinc/16/31/82/296163182.db2.gz XXOKYGNXMHQJGI-JTQLQIEISA-N 2 1 306.207 2.795 20 0 DFADMP Brc1c[nH+]ccc1N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420274764 296168179 /nfs/dbraw/zinc/16/81/79/296168179.db2.gz NKSNTVRKCCUSKU-VXGBXAGGSA-N 2 1 310.239 2.670 20 0 DFADMP Brc1c[nH+]ccc1N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420274763 296168220 /nfs/dbraw/zinc/16/82/20/296168220.db2.gz NKSNTVRKCCUSKU-RYUDHWBXSA-N 2 1 310.239 2.670 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)C[C@H]1[NH3+] ZINC000420285916 296169368 /nfs/dbraw/zinc/16/93/68/296169368.db2.gz VWPDXYUNXHVBAU-JOYOIKCWSA-N 2 1 306.207 2.781 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000607338937 399157722 /nfs/dbraw/zinc/15/77/22/399157722.db2.gz WWHFKADCAIYTET-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295322 296170449 /nfs/dbraw/zinc/17/04/49/296170449.db2.gz CFACGTMCSADBRK-KANFNMMFSA-N 2 1 304.478 2.818 20 0 DFADMP OCCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420295333 296170681 /nfs/dbraw/zinc/17/06/81/296170681.db2.gz CFJAKNYHLNVXDA-APWZRJJASA-N 2 1 302.462 2.748 20 0 DFADMP CCC[C@H]1[C@@H](C)CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420295327 296170579 /nfs/dbraw/zinc/17/05/79/296170579.db2.gz CFACGTMCSADBRK-WNHJNPCNSA-N 2 1 304.478 2.818 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420299025 296171256 /nfs/dbraw/zinc/17/12/56/296171256.db2.gz GBWKCWUKLNRBPB-JKSUJKDBSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000420297179 296170887 /nfs/dbraw/zinc/17/08/87/296170887.db2.gz FRUPGCDTFINWRE-IIDMSEBBSA-N 2 1 306.425 2.977 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420297829 296171080 /nfs/dbraw/zinc/17/10/80/296171080.db2.gz DPVNMALWLDZHHH-MRXNPFEDSA-N 2 1 303.450 2.563 20 0 DFADMP Fc1cc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Cl ZINC000420300031 296171292 /nfs/dbraw/zinc/17/12/92/296171292.db2.gz CBVXXIKISSZIGP-UHFFFAOYSA-N 2 1 312.816 2.933 20 0 DFADMP CCc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000420302412 296171771 /nfs/dbraw/zinc/17/17/71/296171771.db2.gz FYVSJXFMQHIKBU-OAHLLOKOSA-N 2 1 315.461 2.652 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000420302168 296171876 /nfs/dbraw/zinc/17/18/76/296171876.db2.gz BGSZKCBPFQYYNM-HOTGVXAUSA-N 2 1 303.450 2.691 20 0 DFADMP c1cc([C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000420304869 296172026 /nfs/dbraw/zinc/17/20/26/296172026.db2.gz OUNVOGUGWVDGCM-HOCLYGCPSA-N 2 1 302.418 2.942 20 0 DFADMP c1ccc(CCCO[C@@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420309034 296172913 /nfs/dbraw/zinc/17/29/13/296172913.db2.gz STXNYZSYOOHPIM-RTBURBONSA-N 2 1 302.462 2.710 20 0 DFADMP c1ccc(CCCO[C@H]2CC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)cc1 ZINC000420309028 296172923 /nfs/dbraw/zinc/17/29/23/296172923.db2.gz STXNYZSYOOHPIM-MOPGFXCFSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(F)c(C)c3)no2)CC1 ZINC000420304600 296172296 /nfs/dbraw/zinc/17/22/96/296172296.db2.gz YHXRUCDPGUEOMZ-UHFFFAOYSA-N 2 1 318.396 2.616 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420303435 296172339 /nfs/dbraw/zinc/17/23/39/296172339.db2.gz KIFOPNQBYTTWIY-GDBMZVCRSA-N 2 1 304.434 2.840 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@@H]2C)c1 ZINC000341696533 284276592 /nfs/dbraw/zinc/27/65/92/284276592.db2.gz RSDOOSKGOBXPNK-WMLDXEAASA-N 2 1 303.450 2.665 20 0 DFADMP COc1ccc([C@@H](C[NH3+])CN(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000420307224 296172699 /nfs/dbraw/zinc/17/26/99/296172699.db2.gz BHHCDVFYJSABIR-ROUUACIJSA-N 2 1 319.493 2.544 20 0 DFADMP CC(C)(C)C[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420312785 296173594 /nfs/dbraw/zinc/17/35/94/296173594.db2.gz XGSFTAZRTFHVLI-BZSNNMDCSA-N 2 1 304.478 2.818 20 0 DFADMP CCOC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420314808 296173692 /nfs/dbraw/zinc/17/36/92/296173692.db2.gz QVTVSEBKBOHBMK-QZTJIDSGSA-N 2 1 318.461 2.612 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@H]2c2cn[nH]c2)cc1 ZINC000420307619 296172985 /nfs/dbraw/zinc/17/29/85/296172985.db2.gz BVVYNXCESDMPCH-YJBOKZPZSA-N 2 1 314.433 2.688 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC000341886725 284283204 /nfs/dbraw/zinc/28/32/04/284283204.db2.gz CCTSYEHGTZYFQA-JKIFEVAISA-N 2 1 306.450 2.565 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(NC(=O)C2CC2)cc1 ZINC000271745135 209176911 /nfs/dbraw/zinc/17/69/11/209176911.db2.gz JJOOELOYXWCQLP-ZDUSSCGKSA-N 2 1 312.417 2.891 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000420321642 296174718 /nfs/dbraw/zinc/17/47/18/296174718.db2.gz RIVOTIJXCRCCEI-IEBWSBKVSA-N 2 1 301.478 2.977 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420321512 296174729 /nfs/dbraw/zinc/17/47/29/296174729.db2.gz VKOLVKONDYBIQJ-FUHWJXTLSA-N 2 1 316.445 2.531 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2nc3cccnc3s2)C[C@H]1c1ccccc1 ZINC000420323520 296175183 /nfs/dbraw/zinc/17/51/83/296175183.db2.gz YLARQJSAXXOXBW-CABCVRRESA-N 2 1 324.453 2.866 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc3cccnc3s2)C[C@H]1c1ccccc1 ZINC000420323520 296175184 /nfs/dbraw/zinc/17/51/84/296175184.db2.gz YLARQJSAXXOXBW-CABCVRRESA-N 2 1 324.453 2.866 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCc3ccc(F)cc32)CC12CCOCC2 ZINC000420325545 296175595 /nfs/dbraw/zinc/17/55/95/296175595.db2.gz IUMXWAMXGCLNCQ-CRAIPNDOSA-N 2 1 318.436 2.890 20 0 DFADMP [NH3+]C[C@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321274 296174800 /nfs/dbraw/zinc/17/48/00/296174800.db2.gz COZYGRMVVREVNG-YOEHRIQHSA-N 2 1 304.409 2.500 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420326849 296175799 /nfs/dbraw/zinc/17/57/99/296175799.db2.gz XXJIOFYMEUVELM-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420329229 296175937 /nfs/dbraw/zinc/17/59/37/296175937.db2.gz OCMUHETTZOHBOP-QWRGUYRKSA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420329229 296175938 /nfs/dbraw/zinc/17/59/38/296175938.db2.gz OCMUHETTZOHBOP-QWRGUYRKSA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420329227 296176107 /nfs/dbraw/zinc/17/61/07/296176107.db2.gz OCMUHETTZOHBOP-GHMZBOCLSA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420329227 296176108 /nfs/dbraw/zinc/17/61/08/296176108.db2.gz OCMUHETTZOHBOP-GHMZBOCLSA-N 2 1 319.396 2.983 20 0 DFADMP Fc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420336446 296177213 /nfs/dbraw/zinc/17/72/13/296177213.db2.gz MPQUTRCDHDWBGJ-BETUJISGSA-N 2 1 312.816 2.789 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336022 296177240 /nfs/dbraw/zinc/17/72/40/296177240.db2.gz VINOQOWBVHAXTB-HUUCEWRRSA-N 2 1 304.438 2.549 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339452 296177410 /nfs/dbraw/zinc/17/74/10/296177410.db2.gz LSKSMVVRMDVRBK-DLBZAZTESA-N 2 1 316.445 2.590 20 0 DFADMP COc1ccccc1CCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338261 296177462 /nfs/dbraw/zinc/17/74/62/296177462.db2.gz XPYALCLKRDCOIF-MSOLQXFVSA-N 2 1 302.462 2.949 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338283 296177464 /nfs/dbraw/zinc/17/74/64/296177464.db2.gz XQTDUXZGDCIYFO-WOJBJXKFSA-N 2 1 316.489 2.957 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338909 296177533 /nfs/dbraw/zinc/17/75/33/296177533.db2.gz YGYGHTWLWNTGHF-ZIAGYGMSSA-N 2 1 322.474 2.665 20 0 DFADMP c1cnc2sc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337756 296177003 /nfs/dbraw/zinc/17/70/03/296177003.db2.gz XAGJPXULADCIMI-OLZOCXBDSA-N 2 1 302.447 2.513 20 0 DFADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)cs1 ZINC000420343658 296177799 /nfs/dbraw/zinc/17/77/99/296177799.db2.gz ZLMGRAVVRSXQPW-WFASDCNBSA-N 2 1 309.479 2.815 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420338278 296177573 /nfs/dbraw/zinc/17/75/73/296177573.db2.gz XQTDUXZGDCIYFO-UXHICEINSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H](Cc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282502222 217044307 /nfs/dbraw/zinc/04/43/07/217044307.db2.gz YHDHGOSRGBTZEG-SFHVURJKSA-N 2 1 303.494 2.623 20 0 DFADMP CC(C)SCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000282498467 217040693 /nfs/dbraw/zinc/04/06/93/217040693.db2.gz NDSMRFZEVKQLTC-QGZVFWFLSA-N 2 1 307.507 2.977 20 0 DFADMP CC(C)SCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000282498467 217040694 /nfs/dbraw/zinc/04/06/94/217040694.db2.gz NDSMRFZEVKQLTC-QGZVFWFLSA-N 2 1 307.507 2.977 20 0 DFADMP CC(C)SCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000282498467 217040698 /nfs/dbraw/zinc/04/06/98/217040698.db2.gz NDSMRFZEVKQLTC-QGZVFWFLSA-N 2 1 307.507 2.977 20 0 DFADMP CC(C)SCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000282498467 217040699 /nfs/dbraw/zinc/04/06/99/217040699.db2.gz NDSMRFZEVKQLTC-QGZVFWFLSA-N 2 1 307.507 2.977 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](C(C)C)C1)O[C@H](C)C2 ZINC000062426994 399169363 /nfs/dbraw/zinc/16/93/63/399169363.db2.gz LZDJQKJLGFUJPT-CABCVRRESA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)O[C@H](C)C2 ZINC000062426994 399169366 /nfs/dbraw/zinc/16/93/66/399169366.db2.gz LZDJQKJLGFUJPT-CABCVRRESA-N 2 1 318.461 2.839 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCc2ncc(C)s2)cc1 ZINC000420368399 296181284 /nfs/dbraw/zinc/18/12/84/296181284.db2.gz WUPNUMIWIWKTLI-OAHLLOKOSA-N 2 1 319.474 2.677 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367886 296181198 /nfs/dbraw/zinc/18/11/98/296181198.db2.gz WKGGAYZYCGCXFA-IRXDYDNUSA-N 2 1 318.461 2.687 20 0 DFADMP CC(C)(C)OC(=O)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000596098661 399173314 /nfs/dbraw/zinc/17/33/14/399173314.db2.gz SNMQAGMYIDWNEG-QGZVFWFLSA-N 2 1 322.493 2.961 20 0 DFADMP COc1ccc(NC(=O)CC[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420374000 296182218 /nfs/dbraw/zinc/18/22/18/296182218.db2.gz RQSIAKMUUULQCM-KRWDZBQOSA-N 2 1 319.449 2.521 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420376103 296182590 /nfs/dbraw/zinc/18/25/90/296182590.db2.gz AGGDBFIGRMRKOI-WBVHZDCISA-N 2 1 303.450 2.671 20 0 DFADMP COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420376103 296182592 /nfs/dbraw/zinc/18/25/92/296182592.db2.gz AGGDBFIGRMRKOI-WBVHZDCISA-N 2 1 303.450 2.671 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420376103 296182594 /nfs/dbraw/zinc/18/25/94/296182594.db2.gz AGGDBFIGRMRKOI-WBVHZDCISA-N 2 1 303.450 2.671 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420376576 296182636 /nfs/dbraw/zinc/18/26/36/296182636.db2.gz PHXYDPLKOFBHQJ-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420376576 296182638 /nfs/dbraw/zinc/18/26/38/296182638.db2.gz PHXYDPLKOFBHQJ-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1 ZINC000420376624 296182650 /nfs/dbraw/zinc/18/26/50/296182650.db2.gz QVLGULJBFFNUMT-QGZVFWFLSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420375904 296182833 /nfs/dbraw/zinc/18/28/33/296182833.db2.gz ONHRKMSNVYBAJD-SFHVURJKSA-N 2 1 319.424 2.538 20 0 DFADMP CCCc1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000420380067 296183444 /nfs/dbraw/zinc/18/34/44/296183444.db2.gz BQMQLRGGPATVED-GOEBONIOSA-N 2 1 323.506 2.814 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420384081 296183951 /nfs/dbraw/zinc/18/39/51/296183951.db2.gz RIMMDHZGXHMPPE-NJAFHUGGSA-N 2 1 317.477 2.513 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420384081 296183952 /nfs/dbraw/zinc/18/39/52/296183952.db2.gz RIMMDHZGXHMPPE-NJAFHUGGSA-N 2 1 317.477 2.513 20 0 DFADMP Cc1cccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)c1 ZINC000342084523 284321957 /nfs/dbraw/zinc/32/19/57/284321957.db2.gz LRAWSAAGPLAVHA-ARFHVFGLSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1cccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)c1 ZINC000342084523 284321961 /nfs/dbraw/zinc/32/19/61/284321961.db2.gz LRAWSAAGPLAVHA-ARFHVFGLSA-N 2 1 312.417 2.604 20 0 DFADMP FC(F)c1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000420386802 296184273 /nfs/dbraw/zinc/18/42/73/296184273.db2.gz IVRYMCJVRKLSHR-CVEARBPZSA-N 2 1 322.399 2.825 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342107994 284325905 /nfs/dbraw/zinc/32/59/05/284325905.db2.gz QHDMKWZTTRLUEL-SDADXPQNSA-N 2 1 319.424 2.520 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342107994 284325908 /nfs/dbraw/zinc/32/59/08/284325908.db2.gz QHDMKWZTTRLUEL-SDADXPQNSA-N 2 1 319.424 2.520 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342091301 284324955 /nfs/dbraw/zinc/32/49/55/284324955.db2.gz UHSXKNJZHDZXIC-UBHSHLNASA-N 2 1 318.852 2.786 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342091301 284324961 /nfs/dbraw/zinc/32/49/61/284324961.db2.gz UHSXKNJZHDZXIC-UBHSHLNASA-N 2 1 318.852 2.786 20 0 DFADMP C[C@@H]1CCC[C@H](CC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420388301 296184980 /nfs/dbraw/zinc/18/49/80/296184980.db2.gz MBAMFWBVMUMRDY-TVFCKZIOSA-N 2 1 306.494 2.903 20 0 DFADMP CC(C)N1CC[C@@H]([NH2+]C[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420404593 296186803 /nfs/dbraw/zinc/18/68/03/296186803.db2.gz MGLPEOCQXMQSJO-XZJROXQQSA-N 2 1 313.848 2.940 20 0 DFADMP COc1cccc(OCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420406896 296187304 /nfs/dbraw/zinc/18/73/04/296187304.db2.gz UTGDCPTVXAUJIP-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000420413164 296187891 /nfs/dbraw/zinc/18/78/91/296187891.db2.gz STAOYXBCMNVCIO-NEPJUHHUSA-N 2 1 300.805 2.775 20 0 DFADMP C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C[C@@H]1C[NH3+] ZINC000420413164 296187892 /nfs/dbraw/zinc/18/78/92/296187892.db2.gz STAOYXBCMNVCIO-NEPJUHHUSA-N 2 1 300.805 2.775 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCCn1cc[nH+]c1C ZINC000282760538 217230902 /nfs/dbraw/zinc/23/09/02/217230902.db2.gz VYLOTDMSAMLXCA-UHFFFAOYSA-N 2 1 324.432 2.569 20 0 DFADMP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000266199978 205178655 /nfs/dbraw/zinc/17/86/55/205178655.db2.gz IZIQVPYQDMPNQR-MRXNPFEDSA-N 2 1 321.428 2.916 20 0 DFADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000266199978 205178657 /nfs/dbraw/zinc/17/86/57/205178657.db2.gz IZIQVPYQDMPNQR-MRXNPFEDSA-N 2 1 321.428 2.916 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000081731701 284366831 /nfs/dbraw/zinc/36/68/31/284366831.db2.gz GSGQNJZYLMUIHT-DOTOQJQBSA-N 2 1 319.493 2.772 20 0 DFADMP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](CC)CC ZINC000618661077 399200712 /nfs/dbraw/zinc/20/07/12/399200712.db2.gz NQHDJLGIFSBUKK-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1cc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc(C)n1 ZINC000420789129 296202128 /nfs/dbraw/zinc/20/21/28/296202128.db2.gz DLCDEPDANZMBCB-HOTGVXAUSA-N 2 1 318.465 2.761 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420903535 296210186 /nfs/dbraw/zinc/21/01/86/296210186.db2.gz OJTNIEHAHWMSDG-IRXDYDNUSA-N 2 1 302.462 2.997 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)C1 ZINC000420913138 296211189 /nfs/dbraw/zinc/21/11/89/296211189.db2.gz AIBQDMNWWATZBL-KDURUIRLSA-N 2 1 314.473 2.745 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1C ZINC000420933771 296214490 /nfs/dbraw/zinc/21/44/90/296214490.db2.gz IHZCPUWUQUGPCR-IRXDYDNUSA-N 2 1 302.462 2.997 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC[C@@H]1C ZINC000420933771 296214491 /nfs/dbraw/zinc/21/44/91/296214491.db2.gz IHZCPUWUQUGPCR-IRXDYDNUSA-N 2 1 302.462 2.997 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000420936415 296214665 /nfs/dbraw/zinc/21/46/65/296214665.db2.gz MXQPIFBDPZZUJW-KDURUIRLSA-N 2 1 300.446 2.751 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000420936415 296214666 /nfs/dbraw/zinc/21/46/66/296214666.db2.gz MXQPIFBDPZZUJW-KDURUIRLSA-N 2 1 300.446 2.751 20 0 DFADMP O[C@@]1(Cc2ccc(F)cc2)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000421026275 296227996 /nfs/dbraw/zinc/22/79/96/296227996.db2.gz UCQVYCULIXACFB-LJQANCHMSA-N 2 1 320.452 2.681 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[N@H+]1C ZINC000608385125 399258464 /nfs/dbraw/zinc/25/84/64/399258464.db2.gz IANAZUDJINLFFI-HOCLYGCPSA-N 2 1 312.417 2.841 20 0 DFADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000618987822 399271677 /nfs/dbraw/zinc/27/16/77/399271677.db2.gz UZFPOYNPSAPZFH-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421318799 296244281 /nfs/dbraw/zinc/24/42/81/296244281.db2.gz IEENBSPSSUBCBT-HXUWFJFHSA-N 2 1 313.489 2.776 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc(C2CC2)c1 ZINC000421370205 296249831 /nfs/dbraw/zinc/24/98/31/296249831.db2.gz WRMFODBHBCFVLD-LJQANCHMSA-N 2 1 302.462 2.891 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCO1 ZINC000421391414 296251878 /nfs/dbraw/zinc/25/18/78/296251878.db2.gz UGTVCYRWNTYPQR-KGLIPLIRSA-N 2 1 323.506 2.957 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCO1 ZINC000421391414 296251879 /nfs/dbraw/zinc/25/18/79/296251879.db2.gz UGTVCYRWNTYPQR-KGLIPLIRSA-N 2 1 323.506 2.957 20 0 DFADMP CC1CC[NH+](CCN2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000041514435 183195924 /nfs/dbraw/zinc/19/59/24/183195924.db2.gz NFBKCEWCSFYFHW-UHFFFAOYSA-N 2 1 301.478 2.536 20 0 DFADMP C[N@H+](Cc1csc(Br)c1)CC1CC[NH2+]CC1 ZINC000042365811 183260117 /nfs/dbraw/zinc/26/01/17/183260117.db2.gz GSTUKJRSLZCAFC-UHFFFAOYSA-N 2 1 303.269 2.942 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OCC(F)(F)F)c1 ZINC000623086821 399324845 /nfs/dbraw/zinc/32/48/45/399324845.db2.gz LTJKTPPNVNVZNU-UHFFFAOYSA-N 2 1 313.323 2.694 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000623086311 399323982 /nfs/dbraw/zinc/32/39/82/399323982.db2.gz JEZFDNOOQRHCIH-UHFFFAOYSA-N 2 1 300.793 2.954 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000344767275 284684057 /nfs/dbraw/zinc/68/40/57/284684057.db2.gz HTVMJCMOLZSVIN-ZWKOTPCHSA-N 2 1 317.477 2.776 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)Cc1ccc(F)cc1Cl ZINC000421818380 296276731 /nfs/dbraw/zinc/27/67/31/296276731.db2.gz AOPAZPDRFCRBBR-ZDUSSCGKSA-N 2 1 316.848 2.968 20 0 DFADMP Cc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000610250334 399350917 /nfs/dbraw/zinc/35/09/17/399350917.db2.gz TVYGKXNRICPROS-LJQANCHMSA-N 2 1 301.478 2.595 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000105443048 194104309 /nfs/dbraw/zinc/10/43/09/194104309.db2.gz HQKKOAJRBSZPGW-LBPRGKRZSA-N 2 1 317.824 2.919 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)CC1(C)C ZINC000623346432 399367830 /nfs/dbraw/zinc/36/78/30/399367830.db2.gz RIWGPIGBHSYAQX-SFHVURJKSA-N 2 1 312.461 2.894 20 0 DFADMP CC[C@H](C)CCC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000422022009 296291772 /nfs/dbraw/zinc/29/17/72/296291772.db2.gz NZLPLXROICBHRM-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CC[C@H](C)CCC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000422022009 296291775 /nfs/dbraw/zinc/29/17/75/296291775.db2.gz NZLPLXROICBHRM-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1OC1CC1 ZINC000623356475 399370876 /nfs/dbraw/zinc/37/08/76/399370876.db2.gz SELGQVUGPCYMLT-OAHLLOKOSA-N 2 1 316.445 2.810 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCCCCn2cccn2)CC1 ZINC000105876825 194154630 /nfs/dbraw/zinc/15/46/30/194154630.db2.gz XRHVDWYXXVNGJP-UHFFFAOYSA-N 2 1 315.465 2.742 20 0 DFADMP CN(C)C(=O)C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623374370 399375004 /nfs/dbraw/zinc/37/50/04/399375004.db2.gz BPDSKHAZGMWDKT-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CN(C)C(=O)C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000623374370 399375005 /nfs/dbraw/zinc/37/50/05/399375005.db2.gz BPDSKHAZGMWDKT-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1nnc2ccccn21 ZINC000623395494 399379005 /nfs/dbraw/zinc/37/90/05/399379005.db2.gz NTSWJQUCLOLPHU-HOCLYGCPSA-N 2 1 315.465 2.889 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCc2[nH+]ccn21)CC(C)C ZINC000354821699 284772250 /nfs/dbraw/zinc/77/22/50/284772250.db2.gz OBPNSZKUQBQURG-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC1CC1 ZINC000623410874 399382413 /nfs/dbraw/zinc/38/24/13/399382413.db2.gz JMWGDMOQEWJTMD-HNNXBMFYSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623430922 399388255 /nfs/dbraw/zinc/38/82/55/399388255.db2.gz LOBDWBYURDKNGR-CZUORRHYSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc2c(c1)OCC[C@H]2[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623430922 399388257 /nfs/dbraw/zinc/38/82/57/399388257.db2.gz LOBDWBYURDKNGR-CZUORRHYSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC1CC1 ZINC000623430139 399387963 /nfs/dbraw/zinc/38/79/63/399387963.db2.gz CMRVDANGWPIBFH-UKRRQHHQSA-N 2 1 304.434 2.809 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC1CC1 ZINC000623430139 399387965 /nfs/dbraw/zinc/38/79/65/399387965.db2.gz CMRVDANGWPIBFH-UKRRQHHQSA-N 2 1 304.434 2.809 20 0 DFADMP C[NH+](CCN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440269 399390083 /nfs/dbraw/zinc/39/00/83/399390083.db2.gz PRXNJBUOUHGCJS-KRWDZBQOSA-N 2 1 307.457 2.720 20 0 DFADMP C[NH+](CCN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440269 399390084 /nfs/dbraw/zinc/39/00/84/399390084.db2.gz PRXNJBUOUHGCJS-KRWDZBQOSA-N 2 1 307.457 2.720 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)n1 ZINC000623442379 399391217 /nfs/dbraw/zinc/39/12/17/399391217.db2.gz MPLNLDMJCYUTAL-YMAMQOFZSA-N 2 1 306.454 2.867 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)CC1(C)C ZINC000623445943 399391842 /nfs/dbraw/zinc/39/18/42/399391842.db2.gz LADOBIVKJOTLOG-KBPBESRZSA-N 2 1 322.884 2.776 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000268837779 207002523 /nfs/dbraw/zinc/00/25/23/207002523.db2.gz HERYICSUKBBTOV-HNNXBMFYSA-N 2 1 314.433 2.613 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000422559485 296312442 /nfs/dbraw/zinc/31/24/42/296312442.db2.gz DFSGHGFRVRBCBV-MCIONIFRSA-N 2 1 318.490 2.954 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000422559486 296312266 /nfs/dbraw/zinc/31/22/66/296312266.db2.gz DFSGHGFRVRBCBV-MGPQQGTHSA-N 2 1 318.490 2.954 20 0 DFADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422558830 296312287 /nfs/dbraw/zinc/31/22/87/296312287.db2.gz ZUDZIMOILJBJFB-JWHDQAAXSA-N 3 1 301.478 2.942 20 0 DFADMP COCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c1 ZINC000422560477 296312706 /nfs/dbraw/zinc/31/27/06/296312706.db2.gz GWSBQAVZTIRJTN-ZOBUZTSGSA-N 2 1 306.450 2.517 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623474923 399397573 /nfs/dbraw/zinc/39/75/73/399397573.db2.gz VNXKPGXFQYQQBG-DOTOQJQBSA-N 2 1 315.461 2.947 20 0 DFADMP COc1ccc([C@H](CCO)[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623476853 399397618 /nfs/dbraw/zinc/39/76/18/399397618.db2.gz RHXNACRXLSQCCZ-RDJZCZTQSA-N 2 1 306.450 2.581 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623474926 399397329 /nfs/dbraw/zinc/39/73/29/399397329.db2.gz VNXKPGXFQYQQBG-WBVHZDCISA-N 2 1 315.461 2.947 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc(OC)c1OC ZINC000268879279 207049904 /nfs/dbraw/zinc/04/99/04/207049904.db2.gz FFGUFQNTDIUNGO-STQMWFEESA-N 2 1 310.438 2.703 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268898909 207067784 /nfs/dbraw/zinc/06/77/84/207067784.db2.gz PTCLDOCDDBJKMZ-HNAYVOBHSA-N 2 1 322.468 2.829 20 0 DFADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C[NH3+] ZINC000422637840 296317330 /nfs/dbraw/zinc/31/73/30/296317330.db2.gz PLODLQQBFCBLRN-WOPDTQHZSA-N 2 1 301.356 2.906 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C[NH3+] ZINC000422637840 296317333 /nfs/dbraw/zinc/31/73/33/296317333.db2.gz PLODLQQBFCBLRN-WOPDTQHZSA-N 2 1 301.356 2.906 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268922000 207089854 /nfs/dbraw/zinc/08/98/54/207089854.db2.gz XBJSOXOPGOYOCB-PBWTXFEYSA-N 2 1 304.478 2.894 20 0 DFADMP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000268925745 207092280 /nfs/dbraw/zinc/09/22/80/207092280.db2.gz PTWLLOLPVNDUOR-YJBOKZPZSA-N 2 1 318.461 2.509 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc(F)c1F ZINC000623508244 399405268 /nfs/dbraw/zinc/40/52/68/399405268.db2.gz OOSLBYBQJDSGGN-LBPRGKRZSA-N 2 1 320.387 2.580 20 0 DFADMP C[C@@H](NC[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422708631 296319211 /nfs/dbraw/zinc/31/92/11/296319211.db2.gz CCMGJKVZFVYIRI-FCEWJHQRSA-N 2 1 301.478 2.553 20 0 DFADMP C[C@@H](NC[C@H](C)[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422708632 296319376 /nfs/dbraw/zinc/31/93/76/296319376.db2.gz CCMGJKVZFVYIRI-FRQCXROJSA-N 2 1 301.478 2.553 20 0 DFADMP Cc1ccc2nc(C[NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)cn2c1 ZINC000422712698 296320132 /nfs/dbraw/zinc/32/01/32/296320132.db2.gz ISLNDRXMQCWMCV-ZDUSSCGKSA-N 2 1 309.417 2.656 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940852 207106408 /nfs/dbraw/zinc/10/64/08/207106408.db2.gz AGRSXTSRTLDIFH-MSOLQXFVSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940852 207106412 /nfs/dbraw/zinc/10/64/12/207106412.db2.gz AGRSXTSRTLDIFH-MSOLQXFVSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940852 207106418 /nfs/dbraw/zinc/10/64/18/207106418.db2.gz AGRSXTSRTLDIFH-MSOLQXFVSA-N 2 1 300.446 2.580 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531164 399409783 /nfs/dbraw/zinc/40/97/83/399409783.db2.gz KXGFPCXENGNOIL-HUUCEWRRSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563632 399416970 /nfs/dbraw/zinc/41/69/70/399416970.db2.gz FFKFCFCJEDZTPX-DSYPUSFNSA-N 2 1 314.473 2.777 20 0 DFADMP CC[C@H](O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268978714 207139580 /nfs/dbraw/zinc/13/95/80/207139580.db2.gz BTDSETXKTXBLAV-SFHVURJKSA-N 2 1 308.441 2.583 20 0 DFADMP CCc1ccc([C@H](CN[C@H]2CCCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000422729468 296322905 /nfs/dbraw/zinc/32/29/05/296322905.db2.gz IDWGLGIKUQBFEL-FHWLQOOXSA-N 2 1 303.494 2.959 20 0 DFADMP COc1cccc([C@@H](C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)OC)c1 ZINC000623587416 399422837 /nfs/dbraw/zinc/42/28/37/399422837.db2.gz PZVCPENPSMDNPJ-NVXWUHKLSA-N 2 1 306.450 2.845 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000268984158 207142753 /nfs/dbraw/zinc/14/27/53/207142753.db2.gz LCAUULHMPKMAFW-QYZOEREBSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CC1 ZINC000268984158 207142757 /nfs/dbraw/zinc/14/27/57/207142757.db2.gz LCAUULHMPKMAFW-QYZOEREBSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)CC1(C)C ZINC000623594742 399423831 /nfs/dbraw/zinc/42/38/31/399423831.db2.gz HIEFQZQQTYJQIT-KDOFPFPSSA-N 2 1 304.434 2.679 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@]2(C)COc3ccccc3O2)CC1(C)C ZINC000623594744 399423857 /nfs/dbraw/zinc/42/38/57/399423857.db2.gz HIEFQZQQTYJQIT-RDTXWAMCSA-N 2 1 304.434 2.679 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732425 296323456 /nfs/dbraw/zinc/32/34/56/296323456.db2.gz PULIBTGBJWZEKA-PKOBYXMFSA-N 3 1 317.477 2.564 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000269002487 207159104 /nfs/dbraw/zinc/15/91/04/207159104.db2.gz PPTPAEANOSBQLH-KFKAGJAMSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)C1CCC1 ZINC000269002487 207159108 /nfs/dbraw/zinc/15/91/08/207159108.db2.gz PPTPAEANOSBQLH-KFKAGJAMSA-N 2 1 302.462 2.648 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1NC(C)=O ZINC000269042840 207191804 /nfs/dbraw/zinc/19/18/04/207191804.db2.gz UNLJGRDPMPZQHU-OLZOCXBDSA-N 2 1 307.438 2.644 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)CC2 ZINC000623657688 399438186 /nfs/dbraw/zinc/43/81/86/399438186.db2.gz WPCHTLDFWBTIOH-QAPCUYQASA-N 2 1 302.462 2.874 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269051877 207199687 /nfs/dbraw/zinc/19/96/87/207199687.db2.gz VZRBLLOUSRINTB-CVEARBPZSA-N 2 1 300.450 2.922 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])cc1 ZINC000269137033 207269070 /nfs/dbraw/zinc/26/90/70/207269070.db2.gz UCQONDQPQIWQQF-QZTJIDSGSA-N 2 1 317.477 2.918 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000269138757 207270763 /nfs/dbraw/zinc/27/07/63/207270763.db2.gz YQOYSQAYSABZDX-MOPGFXCFSA-N 2 1 302.462 2.916 20 0 DFADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623809249 399470156 /nfs/dbraw/zinc/47/01/56/399470156.db2.gz XULWGRWSFFEPGY-KZNAEPCWSA-N 2 1 300.446 2.951 20 0 DFADMP CO[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623809249 399470159 /nfs/dbraw/zinc/47/01/59/399470159.db2.gz XULWGRWSFFEPGY-KZNAEPCWSA-N 2 1 300.446 2.951 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422735329 296323857 /nfs/dbraw/zinc/32/38/57/296323857.db2.gz VZCJEZSZMRZQDM-HRCADAONSA-N 2 1 307.507 2.992 20 0 DFADMP CCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422746721 296325627 /nfs/dbraw/zinc/32/56/27/296325627.db2.gz XBAWSEZKNDABCD-APWZRJJASA-N 2 1 303.494 2.657 20 0 DFADMP CC[C@H](N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745659 296325300 /nfs/dbraw/zinc/32/53/00/296325300.db2.gz VKMFMCAWJTWHQW-BVBHFADKSA-N 2 1 301.478 2.942 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422744903 296325305 /nfs/dbraw/zinc/32/53/05/296325305.db2.gz UIUABUGEFUMQGR-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422744903 296325306 /nfs/dbraw/zinc/32/53/06/296325306.db2.gz UIUABUGEFUMQGR-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422751892 296326643 /nfs/dbraw/zinc/32/66/43/296326643.db2.gz DEPQUAGYJBMVEF-YYWHXJBOSA-N 2 1 323.484 2.809 20 0 DFADMP COc1cccc([C@@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000422752742 296327044 /nfs/dbraw/zinc/32/70/44/296327044.db2.gz FIEFGXWSQPXJOE-IEBWSBKVSA-N 2 1 317.477 2.564 20 0 DFADMP CCOc1cc(CCC[NH2+][C@H]2C[NH2+]CC[C@@H]2C)ccc1OC ZINC000422753512 296327102 /nfs/dbraw/zinc/32/71/02/296327102.db2.gz IMNPBGNMACLETF-HOCLYGCPSA-N 2 1 306.450 2.614 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3cnccc3N)CC2)[nH+]1 ZINC000422752647 296326973 /nfs/dbraw/zinc/32/69/73/296326973.db2.gz CUUNZYLJFPANKY-CQSZACIVSA-N 2 1 311.433 2.517 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422760020 296328084 /nfs/dbraw/zinc/32/80/84/296328084.db2.gz LKAQVLAVVWGNFV-JTDSTZFVSA-N 2 1 317.477 2.784 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CCCCO1 ZINC000623853442 399480012 /nfs/dbraw/zinc/48/00/12/399480012.db2.gz YHVQWCAERXUQMW-VQIMIIECSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000422764247 296329166 /nfs/dbraw/zinc/32/91/66/296329166.db2.gz PSAWVGLDKOCYJC-HIFRSBDPSA-N 2 1 314.408 2.953 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2nc(C)cs2)CC1 ZINC000623861885 399482067 /nfs/dbraw/zinc/48/20/67/399482067.db2.gz FSCUPIXPOVRJDK-OAHLLOKOSA-N 2 1 310.511 2.520 20 0 DFADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422772772 296330629 /nfs/dbraw/zinc/33/06/29/296330629.db2.gz XSBMFBZFLCRZCA-ARFHVFGLSA-N 2 1 324.852 2.595 20 0 DFADMP CC[NH+]1CCC(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422786031 296332628 /nfs/dbraw/zinc/33/26/28/296332628.db2.gz NZVZSIFBEQAMIF-QFBILLFUSA-N 2 1 303.494 2.657 20 0 DFADMP Cc1c([C@@H](C)[NH2+][C@@H](C)C2C[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422789545 296333389 /nfs/dbraw/zinc/33/33/89/296333389.db2.gz UBXHYUGXMCSWFB-NWDGAFQWSA-N 2 1 302.397 2.578 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422796154 296334605 /nfs/dbraw/zinc/33/46/05/296334605.db2.gz IXGZIYLOQREHOL-DBVUQKKJSA-N 2 1 315.505 2.799 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000422794682 296334114 /nfs/dbraw/zinc/33/41/14/296334114.db2.gz ZDUWXHUURMDRJD-HUUCEWRRSA-N 2 1 304.482 2.620 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809198 296336905 /nfs/dbraw/zinc/33/69/05/296336905.db2.gz POXRMLIKEYNQHW-OXQOHEQNSA-N 3 1 311.473 2.796 20 0 DFADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809198 296336906 /nfs/dbraw/zinc/33/69/06/296336906.db2.gz POXRMLIKEYNQHW-OXQOHEQNSA-N 2 1 311.473 2.796 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809197 296337054 /nfs/dbraw/zinc/33/70/54/296337054.db2.gz POXRMLIKEYNQHW-OXJNMPFZSA-N 3 1 311.473 2.796 20 0 DFADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000422809197 296337056 /nfs/dbraw/zinc/33/70/56/296337056.db2.gz POXRMLIKEYNQHW-OXJNMPFZSA-N 2 1 311.473 2.796 20 0 DFADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000422810942 296337398 /nfs/dbraw/zinc/33/73/98/296337398.db2.gz VAAXREKSGHJIHR-MOPGFXCFSA-N 3 1 301.478 2.888 20 0 DFADMP CC[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422812574 296337490 /nfs/dbraw/zinc/33/74/90/296337490.db2.gz WOQPNNCTRBVUJF-PWIZWCRZSA-N 2 1 315.505 2.801 20 0 DFADMP CC[C@H](CN[C@@H]1CC[NH2+]CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422812574 296337491 /nfs/dbraw/zinc/33/74/91/296337491.db2.gz WOQPNNCTRBVUJF-PWIZWCRZSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@@H]1C[NH3+] ZINC000631841743 399506491 /nfs/dbraw/zinc/50/64/91/399506491.db2.gz PDSLJOBFWFVELB-HOCLYGCPSA-N 2 1 311.429 2.695 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000631843524 399506520 /nfs/dbraw/zinc/50/65/20/399506520.db2.gz OXUUVWVLJCYNJO-ATLSCFEFSA-N 2 1 317.477 2.559 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1)c1ccccc1 ZINC000631843524 399506522 /nfs/dbraw/zinc/50/65/22/399506522.db2.gz OXUUVWVLJCYNJO-ATLSCFEFSA-N 2 1 317.477 2.559 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843147 399506885 /nfs/dbraw/zinc/50/68/85/399506885.db2.gz JUKDXQJGFQVEIS-OWCLPIDISA-N 2 1 317.477 2.972 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843147 399506891 /nfs/dbraw/zinc/50/68/91/399506891.db2.gz JUKDXQJGFQVEIS-OWCLPIDISA-N 2 1 317.477 2.972 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000422823528 296339587 /nfs/dbraw/zinc/33/95/87/296339587.db2.gz DNPBGNGMQUBMDV-DGCLKSJQSA-N 2 1 317.355 2.500 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OCC(F)(F)F ZINC000422825359 296339948 /nfs/dbraw/zinc/33/99/48/296339948.db2.gz JPBLNNAYRMVPAN-VXGBXAGGSA-N 2 1 318.339 2.606 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000347000708 285000789 /nfs/dbraw/zinc/00/07/89/285000789.db2.gz ZUWWIKSEKGRWBL-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H](C)c2c[nH+]ccc2N)CC1 ZINC000422830842 296341259 /nfs/dbraw/zinc/34/12/59/296341259.db2.gz DEFJOLYONUZQPR-OAHLLOKOSA-N 3 1 304.482 2.903 20 0 DFADMP c1csc(C[N@H+]2CCC[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829926 296340695 /nfs/dbraw/zinc/34/06/95/296340695.db2.gz CHLFDGWEEMZUNL-JKSUJKDBSA-N 2 1 307.507 2.692 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@@H](CN[C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829926 296340697 /nfs/dbraw/zinc/34/06/97/296340697.db2.gz CHLFDGWEEMZUNL-JKSUJKDBSA-N 2 1 307.507 2.692 20 0 DFADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829926 296340700 /nfs/dbraw/zinc/34/07/00/296340700.db2.gz CHLFDGWEEMZUNL-JKSUJKDBSA-N 3 1 307.507 2.692 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829926 296340701 /nfs/dbraw/zinc/34/07/01/296340701.db2.gz CHLFDGWEEMZUNL-JKSUJKDBSA-N 3 1 307.507 2.692 20 0 DFADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000631846369 399508483 /nfs/dbraw/zinc/50/84/83/399508483.db2.gz XYULIFWSZZVCJM-RDJZCZTQSA-N 2 1 313.449 2.670 20 0 DFADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845820 399508578 /nfs/dbraw/zinc/50/85/78/399508578.db2.gz LRIJWCWAXFTQKQ-GWCFXTLKSA-N 2 1 323.803 2.537 20 0 DFADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845820 399508586 /nfs/dbraw/zinc/50/85/86/399508586.db2.gz LRIJWCWAXFTQKQ-GWCFXTLKSA-N 2 1 323.803 2.537 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836150 296342014 /nfs/dbraw/zinc/34/20/14/296342014.db2.gz JIZALDYEKZKJLM-QBAGFEOCSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836150 296342016 /nfs/dbraw/zinc/34/20/16/296342016.db2.gz JIZALDYEKZKJLM-QBAGFEOCSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]1CCOCC[NH+]1CCCCCC[N@@H+]1CCOCC[C@@H]1C ZINC000374992367 300007371 /nfs/dbraw/zinc/00/73/71/300007371.db2.gz XKFPFCWVUXIULL-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000422840901 296342610 /nfs/dbraw/zinc/34/26/10/296342610.db2.gz USXREOQUSAYDHU-FHWLQOOXSA-N 3 1 305.510 2.904 20 0 DFADMP C1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000422840903 296342615 /nfs/dbraw/zinc/34/26/15/296342615.db2.gz USXREOQUSAYDHU-GBESFXJTSA-N 3 1 305.510 2.904 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)cc1OC ZINC000422862813 296346478 /nfs/dbraw/zinc/34/64/78/296346478.db2.gz QKQMBTXFCHEGRP-DZGCQCFKSA-N 2 1 306.450 2.712 20 0 DFADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422857488 296345962 /nfs/dbraw/zinc/34/59/62/296345962.db2.gz HTANDUXYPWFTTO-APWZRJJASA-N 2 1 312.461 2.762 20 0 DFADMP Cc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(O[C@@H]2CCOC2)c1 ZINC000422872581 296347898 /nfs/dbraw/zinc/34/78/98/296347898.db2.gz HQZPQSFKCHVBGT-UJJTZGENSA-N 2 1 316.445 2.535 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC[C@H]2CCOC2)c1 ZINC000422871324 296347983 /nfs/dbraw/zinc/34/79/83/296347983.db2.gz YRBCLHCLBBLXOR-WMZOPIPTSA-N 2 1 318.461 2.642 20 0 DFADMP CC[C@H](C(=O)N[C@H]1CCCC[C@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422866064 296347173 /nfs/dbraw/zinc/34/71/73/296347173.db2.gz PPHRYZBXYHOQOG-OKZBNKHCSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2c(F)cccc2F)C1)c1c[nH+]ccc1N ZINC000422869037 296347532 /nfs/dbraw/zinc/34/75/32/296347532.db2.gz VXSLKPJMMNSVLC-NWDGAFQWSA-N 2 1 318.371 2.702 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(OC[C@H]2CCCO2)c1 ZINC000422870811 296347703 /nfs/dbraw/zinc/34/77/03/296347703.db2.gz CHMKAQPYUDGDJP-SOLBZPMBSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000422875574 296348834 /nfs/dbraw/zinc/34/88/34/296348834.db2.gz PFRLDJJEACABJC-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000422875574 296348835 /nfs/dbraw/zinc/34/88/35/296348835.db2.gz PFRLDJJEACABJC-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H](C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410317 285039230 /nfs/dbraw/zinc/03/92/30/285039230.db2.gz AKHRWUIXMYXYRM-AOIWGVFYSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410317 285039233 /nfs/dbraw/zinc/03/92/33/285039233.db2.gz AKHRWUIXMYXYRM-AOIWGVFYSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410317 285039235 /nfs/dbraw/zinc/03/92/35/285039235.db2.gz AKHRWUIXMYXYRM-AOIWGVFYSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@@H]2CC[NH2+]C2)C1 ZINC000422892168 296351521 /nfs/dbraw/zinc/35/15/21/296351521.db2.gz MKLFGQAIBSCAEW-JTDSTZFVSA-N 2 1 301.478 2.616 20 0 DFADMP Cc1noc(C)c1CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000119669461 195013811 /nfs/dbraw/zinc/01/38/11/195013811.db2.gz DIPYBOFJMTWNGY-QAPCUYQASA-N 2 1 303.450 2.783 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000119669461 195013813 /nfs/dbraw/zinc/01/38/13/195013813.db2.gz DIPYBOFJMTWNGY-QAPCUYQASA-N 2 1 303.450 2.783 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000119669461 195013815 /nfs/dbraw/zinc/01/38/15/195013815.db2.gz DIPYBOFJMTWNGY-QAPCUYQASA-N 2 1 303.450 2.783 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])cc1F ZINC000422899836 296352659 /nfs/dbraw/zinc/35/26/59/296352659.db2.gz IHECPJKQUJLGSC-GOEBONIOSA-N 3 1 302.397 2.537 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1)C1C[NH2+]C1 ZINC000422904961 296353798 /nfs/dbraw/zinc/35/37/98/296353798.db2.gz YLLUZKWWGTVTKO-GFCCVEGCSA-N 2 1 301.365 2.711 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422907233 296354162 /nfs/dbraw/zinc/35/41/62/296354162.db2.gz LDWZEEDNRYDQNW-NFWHEIDTSA-N 2 1 301.478 2.897 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422907233 296354163 /nfs/dbraw/zinc/35/41/63/296354163.db2.gz LDWZEEDNRYDQNW-NFWHEIDTSA-N 3 1 301.478 2.897 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422907233 296354164 /nfs/dbraw/zinc/35/41/64/296354164.db2.gz LDWZEEDNRYDQNW-NFWHEIDTSA-N 3 1 301.478 2.897 20 0 DFADMP c1cc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCCCC2)cc2c1OCO2 ZINC000422905924 296354258 /nfs/dbraw/zinc/35/42/58/296354258.db2.gz ZVHCPOKVJDXZKB-OAHLLOKOSA-N 2 1 302.418 2.569 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422917893 296355616 /nfs/dbraw/zinc/35/56/16/296355616.db2.gz GAAVPBPSKWOPKO-GXFFZTMASA-N 2 1 302.340 2.905 20 0 DFADMP CSC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCOCC1 ZINC000422924279 296356042 /nfs/dbraw/zinc/35/60/42/296356042.db2.gz UCSIUAVXZAXXML-IAGOWNOFSA-N 2 1 320.502 2.982 20 0 DFADMP C[C@@H]1C[C@H](N(C)c2nc3ccccc3n3cncc23)CC[N@H+]1C ZINC000623992008 399516423 /nfs/dbraw/zinc/51/64/23/399516423.db2.gz ZCGHJNQHJDBLPB-ZIAGYGMSSA-N 2 1 309.417 2.801 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1nc(-c2ccncc2)cs1 ZINC000422913405 296354869 /nfs/dbraw/zinc/35/48/69/296354869.db2.gz PXTZPTUTXAWOEB-SGMGOOAPSA-N 2 1 302.447 2.854 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(Cl)cn1 ZINC000422928318 296356430 /nfs/dbraw/zinc/35/64/30/296356430.db2.gz KAJVNMCYTIYQAQ-CJNGLKHVSA-N 2 1 319.836 2.662 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886439 399518602 /nfs/dbraw/zinc/51/86/02/399518602.db2.gz HEPAVDWCOUYYED-JKSUJKDBSA-N 2 1 304.434 2.538 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631886439 399518608 /nfs/dbraw/zinc/51/86/08/399518608.db2.gz HEPAVDWCOUYYED-JKSUJKDBSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942526 296358611 /nfs/dbraw/zinc/35/86/11/296358611.db2.gz KPHIHPOFWAVPPC-WFASDCNBSA-N 2 1 309.841 2.646 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1cccc(Cl)c1 ZINC000631886678 399518730 /nfs/dbraw/zinc/51/87/30/399518730.db2.gz JIIUONDJCDYMND-BBRMVZONSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1cccc(Cl)c1 ZINC000631886678 399518734 /nfs/dbraw/zinc/51/87/34/399518734.db2.gz JIIUONDJCDYMND-BBRMVZONSA-N 2 1 321.852 2.743 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(c2nc3ccccc3n3cncc23)C1 ZINC000624005947 399520930 /nfs/dbraw/zinc/52/09/30/399520930.db2.gz HCARVZADRJOOIS-AWEZNQCLSA-N 2 1 309.417 2.661 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000611782765 399525505 /nfs/dbraw/zinc/52/55/05/399525505.db2.gz AVMBUCJYVZCYLS-CVEARBPZSA-N 2 1 307.438 2.806 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000611782765 399525513 /nfs/dbraw/zinc/52/55/13/399525513.db2.gz AVMBUCJYVZCYLS-CVEARBPZSA-N 2 1 307.438 2.806 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423008844 296367022 /nfs/dbraw/zinc/36/70/22/296367022.db2.gz BHARQHPDACSEDI-KGLIPLIRSA-N 2 1 314.408 2.953 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423009709 296367117 /nfs/dbraw/zinc/36/71/17/296367117.db2.gz DMKCNYRJLJGPDE-DXEWXGHRSA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423009709 296367119 /nfs/dbraw/zinc/36/71/19/296367119.db2.gz DMKCNYRJLJGPDE-DXEWXGHRSA-N 2 1 307.869 2.815 20 0 DFADMP COC[C@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(C)o1 ZINC000423009149 296367124 /nfs/dbraw/zinc/36/71/24/296367124.db2.gz UYGFRWABDIVRPE-CJNGLKHVSA-N 2 1 303.406 2.788 20 0 DFADMP CC[C@@H]([NH2+]CCOCc1cccc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000423006778 296366524 /nfs/dbraw/zinc/36/65/24/296366524.db2.gz WIKGOFOLLMQBFY-QZTJIDSGSA-N 2 1 306.450 2.722 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423006613 296366668 /nfs/dbraw/zinc/36/66/68/296366668.db2.gz WBBVGHIGZOXXDN-RHSMWYFYSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000423006613 296366670 /nfs/dbraw/zinc/36/66/70/296366670.db2.gz WBBVGHIGZOXXDN-RHSMWYFYSA-N 2 1 304.482 2.620 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423006184 296366724 /nfs/dbraw/zinc/36/67/24/296366724.db2.gz UKOKCNONOARTNY-QXCFHYIPSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000423006184 296366727 /nfs/dbraw/zinc/36/67/27/296366727.db2.gz UKOKCNONOARTNY-QXCFHYIPSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CCC[C@H]2N)C[N@H+]1Cc1ccccc1 ZINC000423006184 296366729 /nfs/dbraw/zinc/36/67/29/296366729.db2.gz UKOKCNONOARTNY-QXCFHYIPSA-N 2 1 301.478 2.757 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000270234203 208299161 /nfs/dbraw/zinc/29/91/61/208299161.db2.gz OWGZJSIRVLZWLP-SWLSCSKDSA-N 2 1 320.462 2.925 20 0 DFADMP CC[C@H]([NH2+]CCNc1cc(OC)cc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000423007481 296366784 /nfs/dbraw/zinc/36/67/84/296366784.db2.gz XUEGRKNOCNKROV-ZWKOTPCHSA-N 2 1 321.465 2.626 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423018340 296368432 /nfs/dbraw/zinc/36/84/32/296368432.db2.gz YOYLKJLXUOWGTK-HLLBOEOZSA-N 2 1 305.441 2.915 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@H](CCO)c1ccccc1Br ZINC000423029028 296369739 /nfs/dbraw/zinc/36/97/39/296369739.db2.gz HLGWLYBSXYXNMR-COPLHBTASA-N 2 1 315.255 2.588 20 0 DFADMP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000620621435 399545723 /nfs/dbraw/zinc/54/57/23/399545723.db2.gz XOXRWEZRZXNDAO-AWEZNQCLSA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000620621435 399545728 /nfs/dbraw/zinc/54/57/28/399545728.db2.gz XOXRWEZRZXNDAO-AWEZNQCLSA-N 2 1 308.470 2.633 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CN1CCCCCC1 ZINC000423045044 296371247 /nfs/dbraw/zinc/37/12/47/296371247.db2.gz BGBZAZSMRBSQAT-GJZGRUSLSA-N 2 1 304.482 2.764 20 0 DFADMP CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@H]1CCCC[NH2+]1 ZINC000423046377 296371556 /nfs/dbraw/zinc/37/15/56/296371556.db2.gz DLQRVXPFJZKGBR-DOTOQJQBSA-N 2 1 300.450 2.626 20 0 DFADMP CCC(CC)(C[NH2+][C@H]1CC[NH2+]C1)c1ccc(OC)c(OC)c1 ZINC000423056529 296372730 /nfs/dbraw/zinc/37/27/30/296372730.db2.gz YEYGORBKCHTWOB-HNNXBMFYSA-N 2 1 306.450 2.713 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000423053074 296372278 /nfs/dbraw/zinc/37/22/78/296372278.db2.gz RZRALHZIDPUAQX-QXAKKESOSA-N 2 1 303.494 2.873 20 0 DFADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423057335 296373069 /nfs/dbraw/zinc/37/30/69/296373069.db2.gz HBKOQTHTHOGBBI-HSALFYBXSA-N 2 1 310.441 2.673 20 0 DFADMP Cc1cnn(CCCCC[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000159226559 197338132 /nfs/dbraw/zinc/33/81/32/197338132.db2.gz MQQKUZVSGLKBJW-UHFFFAOYSA-N 2 1 303.454 2.889 20 0 DFADMP Cc1cnn(CCCCC[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000159226559 197338134 /nfs/dbraw/zinc/33/81/34/197338134.db2.gz MQQKUZVSGLKBJW-UHFFFAOYSA-N 2 1 303.454 2.889 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000423064511 296373791 /nfs/dbraw/zinc/37/37/91/296373791.db2.gz RMUBOSMPAGQCLI-FQUUOJAGSA-N 2 1 308.388 2.590 20 0 DFADMP C[C@H]([NH2+]CCc1ccccc1OC(F)F)c1c[nH+]ccc1N ZINC000423072878 296375349 /nfs/dbraw/zinc/37/53/49/296375349.db2.gz QIMHRHXHSZRXFB-NSHDSACASA-N 2 1 307.344 2.989 20 0 DFADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000423075252 296375404 /nfs/dbraw/zinc/37/54/04/296375404.db2.gz OCNHKTWDAPMVQM-INDMIFKZSA-N 2 1 305.510 2.904 20 0 DFADMP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423076897 296375499 /nfs/dbraw/zinc/37/54/99/296375499.db2.gz SBHVQSKJWTYARC-UDTPNQRGSA-N 2 1 320.452 2.630 20 0 DFADMP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159010971 197318833 /nfs/dbraw/zinc/31/88/33/197318833.db2.gz GGAICTPKPXLIFT-GUDVDZBRSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159010971 197318835 /nfs/dbraw/zinc/31/88/35/197318835.db2.gz GGAICTPKPXLIFT-GUDVDZBRSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159010971 197318837 /nfs/dbraw/zinc/31/88/37/197318837.db2.gz GGAICTPKPXLIFT-GUDVDZBRSA-N 2 1 302.462 2.744 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CC[NH2+]2)cc1 ZINC000423083756 296376329 /nfs/dbraw/zinc/37/63/29/296376329.db2.gz GTGIWSHEFGPNGI-QUCCMNQESA-N 3 1 313.489 2.944 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CC[NH2+]2)cc1 ZINC000423083757 296376375 /nfs/dbraw/zinc/37/63/75/296376375.db2.gz GTGIWSHEFGPNGI-UYAOXDASSA-N 3 1 313.489 2.944 20 0 DFADMP C[C@@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000423092095 296377546 /nfs/dbraw/zinc/37/75/46/296377546.db2.gz ANZSCYIQOWILIP-IUODEOHRSA-N 2 1 316.367 2.900 20 0 DFADMP CSc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423092713 296377662 /nfs/dbraw/zinc/37/76/62/296377662.db2.gz DCCAVPYXEVLVDG-KZNAEPCWSA-N 2 1 320.502 2.698 20 0 DFADMP CSc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423092712 296377709 /nfs/dbraw/zinc/37/77/09/296377709.db2.gz DCCAVPYXEVLVDG-KURKYZTESA-N 2 1 320.502 2.698 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616993724 399557918 /nfs/dbraw/zinc/55/79/18/399557918.db2.gz MFGQMLZPMKFOHM-DOTOQJQBSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616993724 399557923 /nfs/dbraw/zinc/55/79/23/399557923.db2.gz MFGQMLZPMKFOHM-DOTOQJQBSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cccc(OCC(F)(F)F)c1 ZINC000423103090 296378770 /nfs/dbraw/zinc/37/87/70/296378770.db2.gz XNHFREYLOXDPBS-DOMZBBRYSA-N 2 1 316.367 2.758 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121624 399560790 /nfs/dbraw/zinc/56/07/90/399560790.db2.gz ZCCQZLYNLLSNEA-IAGOWNOFSA-N 2 1 317.477 2.750 20 0 DFADMP FC1(F)CCC(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423114901 296380270 /nfs/dbraw/zinc/38/02/70/296380270.db2.gz MMCDIZYLBCEROX-KFWWJZLASA-N 2 1 302.409 2.559 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123954 399562419 /nfs/dbraw/zinc/56/24/19/399562419.db2.gz UPSNWPZTDSPNIF-ZACQAIPSSA-N 2 1 304.482 2.768 20 0 DFADMP CSC1(C[NH2+][C@H]2C[C@@H](N)c3ccccc32)CC[NH+](C)CC1 ZINC000423118817 296380584 /nfs/dbraw/zinc/38/05/84/296380584.db2.gz AHBZCGHGYULSID-CVEARBPZSA-N 2 1 305.491 2.548 20 0 DFADMP CSC1(CN[C@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH+](C)CC1 ZINC000423118817 296380586 /nfs/dbraw/zinc/38/05/86/296380586.db2.gz AHBZCGHGYULSID-CVEARBPZSA-N 2 1 305.491 2.548 20 0 DFADMP CC(C)Oc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423121513 296381008 /nfs/dbraw/zinc/38/10/08/296381008.db2.gz IPNLHDZSFLOSDZ-IEBWSBKVSA-N 2 1 319.493 2.808 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617004229 399565027 /nfs/dbraw/zinc/56/50/27/399565027.db2.gz NJBATMRXJASRSN-HUUCEWRRSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617004229 399565031 /nfs/dbraw/zinc/56/50/31/399565031.db2.gz NJBATMRXJASRSN-HUUCEWRRSA-N 2 1 320.481 2.633 20 0 DFADMP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)c1c[nH+]ccc1N ZINC000423133568 296382783 /nfs/dbraw/zinc/38/27/83/296382783.db2.gz KYHORMLZMDLHET-JTQLQIEISA-N 2 1 310.323 2.801 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000158534963 197281342 /nfs/dbraw/zinc/28/13/42/197281342.db2.gz ZSCLKWXOCASEDH-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000158534963 197281344 /nfs/dbraw/zinc/28/13/44/197281344.db2.gz ZSCLKWXOCASEDH-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000158534963 197281346 /nfs/dbraw/zinc/28/13/46/197281346.db2.gz ZSCLKWXOCASEDH-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000158534963 197281348 /nfs/dbraw/zinc/28/13/48/197281348.db2.gz ZSCLKWXOCASEDH-YOEHRIQHSA-N 2 1 320.408 2.528 20 0 DFADMP C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000423140068 296383972 /nfs/dbraw/zinc/38/39/72/296383972.db2.gz XBLMDIAXCPNWOF-CJNGLKHVSA-N 2 1 320.506 2.784 20 0 DFADMP Clc1cccc(-n2ccnc2)c1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423144533 296384068 /nfs/dbraw/zinc/38/40/68/296384068.db2.gz HJKLZNKIRHUAKN-CYBMUJFWSA-N 2 1 304.825 2.757 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728299 285148212 /nfs/dbraw/zinc/14/82/12/285148212.db2.gz VFOYZVCZKOPSKL-QFBILLFUSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728299 285148215 /nfs/dbraw/zinc/14/82/15/285148215.db2.gz VFOYZVCZKOPSKL-QFBILLFUSA-N 2 1 301.478 2.712 20 0 DFADMP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423138591 296383524 /nfs/dbraw/zinc/38/35/24/296383524.db2.gz YBQCERWYVUKDMS-NZSAHSFTSA-N 2 1 318.436 2.950 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@@H]3CC34CCOCC4)CC[NH2+]2)cc1 ZINC000423146828 296384649 /nfs/dbraw/zinc/38/46/49/296384649.db2.gz BEIKRVDGIHYTHR-KSZLIROESA-N 2 1 300.446 2.886 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@@H]1C ZINC000184586939 296387580 /nfs/dbraw/zinc/38/75/80/296387580.db2.gz DMEQJDDXWOIUEM-NUJGCVRESA-N 2 1 317.477 2.526 20 0 DFADMP CCc1cc(CCC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)on1 ZINC000347756262 285161287 /nfs/dbraw/zinc/16/12/87/285161287.db2.gz ZUOLRZCKZQEELX-UHFFFAOYSA-N 2 1 316.449 2.858 20 0 DFADMP [NH3+]CC[NH2+][C@@H]1CCCc2c3cc(Br)ccc3[nH]c21 ZINC000423181177 296389008 /nfs/dbraw/zinc/38/90/08/296389008.db2.gz JAONCFNJVBISHZ-CYBMUJFWSA-N 2 1 308.223 2.856 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423180057 296389034 /nfs/dbraw/zinc/38/90/34/296389034.db2.gz NIYXOBFZCCRBNU-INIZCTEOSA-N 3 1 319.493 2.939 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000347771109 285166402 /nfs/dbraw/zinc/16/64/02/285166402.db2.gz BVDBTJIKFLJLMN-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000347771109 285166404 /nfs/dbraw/zinc/16/64/04/285166404.db2.gz BVDBTJIKFLJLMN-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000347771109 285166406 /nfs/dbraw/zinc/16/64/06/285166406.db2.gz BVDBTJIKFLJLMN-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000347771109 285166408 /nfs/dbraw/zinc/16/64/08/285166408.db2.gz BVDBTJIKFLJLMN-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1C[C@@H](NCC2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423183449 296389768 /nfs/dbraw/zinc/38/97/68/296389768.db2.gz RXXXJHTXHWOAGO-SJLPKXTDSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000423183449 296389769 /nfs/dbraw/zinc/38/97/69/296389769.db2.gz RXXXJHTXHWOAGO-SJLPKXTDSA-N 2 1 301.478 2.901 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)c1ccccc1 ZINC000617014006 399574469 /nfs/dbraw/zinc/57/44/69/399574469.db2.gz DPFBTUXBEXYXSV-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)c1ccccc1 ZINC000617014006 399574472 /nfs/dbraw/zinc/57/44/72/399574472.db2.gz DPFBTUXBEXYXSV-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617014006 399574475 /nfs/dbraw/zinc/57/44/75/399574475.db2.gz DPFBTUXBEXYXSV-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617014006 399574481 /nfs/dbraw/zinc/57/44/81/399574481.db2.gz DPFBTUXBEXYXSV-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC2([NH3+])CCCCC2)s1 ZINC000423188464 296390097 /nfs/dbraw/zinc/39/00/97/296390097.db2.gz ZHCMQEWVCHIEKN-GFCCVEGCSA-N 2 1 311.495 2.953 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000423200069 296391839 /nfs/dbraw/zinc/39/18/39/296391839.db2.gz LPCUNLHMGKAZDC-ZDUSSCGKSA-N 2 1 317.433 2.720 20 0 DFADMP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CCC[NH2+]C1)CC2 ZINC000423196745 296391103 /nfs/dbraw/zinc/39/11/03/296391103.db2.gz WBXVDWMMOMGONY-CHWSQXEVSA-N 2 1 309.251 2.648 20 0 DFADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000423208009 296392510 /nfs/dbraw/zinc/39/25/10/296392510.db2.gz YGAMKTLFORVZEM-ZDUSSCGKSA-N 2 1 313.239 2.862 20 0 DFADMP C[C@@H]1[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1Cc1ccccc1 ZINC000423209506 296392879 /nfs/dbraw/zinc/39/28/79/296392879.db2.gz GHYGYJQJNQIVPN-QBAGFEOCSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423209506 296392881 /nfs/dbraw/zinc/39/28/81/296392881.db2.gz GHYGYJQJNQIVPN-QBAGFEOCSA-N 2 1 313.489 2.912 20 0 DFADMP CC[NH2+]CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423235934 296395641 /nfs/dbraw/zinc/39/56/41/296395641.db2.gz NSCPEGJAEPHOGG-VAMGGRTRSA-N 2 1 315.505 2.876 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C3)cc1 ZINC000423240289 296396076 /nfs/dbraw/zinc/39/60/76/296396076.db2.gz CAVIZLPWONNQCG-RSPOEFSDSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)C3)cc1 ZINC000423240289 296396077 /nfs/dbraw/zinc/39/60/77/296396077.db2.gz CAVIZLPWONNQCG-RSPOEFSDSA-N 2 1 313.489 2.771 20 0 DFADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423244033 296396213 /nfs/dbraw/zinc/39/62/13/296396213.db2.gz XCAOAFYLXNLVKG-QRVBRYPASA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261368 296397897 /nfs/dbraw/zinc/39/78/97/296397897.db2.gz RZBPXHOWXHEVAQ-WSTZPKSXSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000423261368 296397899 /nfs/dbraw/zinc/39/78/99/296397899.db2.gz RZBPXHOWXHEVAQ-WSTZPKSXSA-N 3 1 315.505 2.876 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])CC(C)C)[C@@H]1Oc1ccccc1 ZINC000423262170 296397931 /nfs/dbraw/zinc/39/79/31/296397931.db2.gz LWFUJDMMSXACHJ-OWLYRPNTSA-N 2 1 306.450 2.574 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423270948 296399066 /nfs/dbraw/zinc/39/90/66/296399066.db2.gz HBNFHRUQLKREKN-KGLIPLIRSA-N 2 1 300.324 2.899 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423271178 296399225 /nfs/dbraw/zinc/39/92/25/296399225.db2.gz XKTROOQTDSSCHP-OCCSQVGLSA-N 2 1 303.450 2.940 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423271554 296399311 /nfs/dbraw/zinc/39/93/11/296399311.db2.gz IVQRBBDFFLJBIO-STQMWFEESA-N 2 1 304.413 2.826 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc(OC)c1OC ZINC000423267062 296398670 /nfs/dbraw/zinc/39/86/70/296398670.db2.gz DRYDLJUIQKFVFZ-OCCSQVGLSA-N 2 1 310.438 2.736 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@@H]1C[NH3+])c1ncc(Br)cc1F ZINC000423269442 296398788 /nfs/dbraw/zinc/39/87/88/296398788.db2.gz HFAPLPRHOUOCPU-SBMIAAHKSA-N 2 1 316.218 2.761 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423277901 296399843 /nfs/dbraw/zinc/39/98/43/296399843.db2.gz QKGFBAQTHZPWJO-YTQUADARSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423277901 296399844 /nfs/dbraw/zinc/39/98/44/296399844.db2.gz QKGFBAQTHZPWJO-YTQUADARSA-N 3 1 301.478 2.801 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[C@H](C)[NH2+]C1 ZINC000629411174 399596363 /nfs/dbraw/zinc/59/63/63/399596363.db2.gz IJQWDWPNSCKKQD-NUEKZKHPSA-N 2 1 306.450 2.755 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccc(OC)cc2)CC1 ZINC000271655219 209099401 /nfs/dbraw/zinc/09/94/01/209099401.db2.gz CEWTWDVZUWOIAK-KBXCAEBGSA-N 2 1 306.450 2.845 20 0 DFADMP C[N@@H+](CC1CC1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000156185665 197093792 /nfs/dbraw/zinc/09/37/92/197093792.db2.gz QXMPRCKKXNGTCD-IBGZPJMESA-N 2 1 302.462 2.774 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H](C)C2CCOCC2)cc1 ZINC000423320295 296404073 /nfs/dbraw/zinc/40/40/73/296404073.db2.gz DKYDFDOEDPHWKC-MDASCCDHSA-N 2 1 318.461 2.545 20 0 DFADMP CC[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000271652714 209096860 /nfs/dbraw/zinc/09/68/60/209096860.db2.gz IMTLVHGBLIRRND-CVEARBPZSA-N 2 1 304.434 2.983 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000423350549 296407364 /nfs/dbraw/zinc/40/73/64/296407364.db2.gz XTRBVXOHNOVBOH-QWRGUYRKSA-N 2 1 313.239 2.718 20 0 DFADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1OC ZINC000347881821 285222800 /nfs/dbraw/zinc/22/28/00/285222800.db2.gz OQHKTLKMTFUMJJ-XJKSGUPXSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c(C)c1OC ZINC000347881821 285222803 /nfs/dbraw/zinc/22/28/03/285222803.db2.gz OQHKTLKMTFUMJJ-XJKSGUPXSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000347881821 285222807 /nfs/dbraw/zinc/22/28/07/285222807.db2.gz OQHKTLKMTFUMJJ-XJKSGUPXSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(C)c1OC ZINC000347881821 285222811 /nfs/dbraw/zinc/22/28/11/285222811.db2.gz OQHKTLKMTFUMJJ-XJKSGUPXSA-N 2 1 306.450 2.927 20 0 DFADMP Fc1ccc(Br)c2c1CC[C@H]2[NH2+]C[C@H]1CC[NH2+]C1 ZINC000423345969 296406910 /nfs/dbraw/zinc/40/69/10/296406910.db2.gz PHHUIOJWZCCVQX-TVQRCGJNSA-N 2 1 313.214 2.775 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347900295 285232740 /nfs/dbraw/zinc/23/27/40/285232740.db2.gz JMLQZCYXZDJIBR-ZHALLVOQSA-N 2 1 324.472 2.908 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1OC ZINC000347911100 285239918 /nfs/dbraw/zinc/23/99/18/285239918.db2.gz KQFAFOHJEUMNFF-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1OC ZINC000347911100 285239921 /nfs/dbraw/zinc/23/99/21/285239921.db2.gz KQFAFOHJEUMNFF-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1OC ZINC000347911100 285239924 /nfs/dbraw/zinc/23/99/24/285239924.db2.gz KQFAFOHJEUMNFF-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423435377 296416398 /nfs/dbraw/zinc/41/63/98/296416398.db2.gz DQGZXBIVEISECK-UVPNAGLESA-N 2 1 301.203 2.901 20 0 DFADMP FC(F)(F)Oc1cccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)c1 ZINC000423435790 296416515 /nfs/dbraw/zinc/41/65/15/296416515.db2.gz RUCLIZALUOZYEN-BARDWOONSA-N 2 1 312.335 2.844 20 0 DFADMP CC1CCC([NH+]2CCC([N@@H+](C)CC[C@@H]3CCOC3=O)CC2)CC1 ZINC000120381601 195156169 /nfs/dbraw/zinc/15/61/69/195156169.db2.gz LIJZPSJPSNPMNH-UPTPFMHGSA-N 2 1 322.493 2.915 20 0 DFADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423475381 296419750 /nfs/dbraw/zinc/41/97/50/296419750.db2.gz KGDDSGATWXVURG-RISCZKNCSA-N 2 1 314.351 2.874 20 0 DFADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423496776 296422545 /nfs/dbraw/zinc/42/25/45/296422545.db2.gz XQDGFWRUCYPPIV-RDTXWAMCSA-N 2 1 313.445 2.822 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000423527350 296426211 /nfs/dbraw/zinc/42/62/11/296426211.db2.gz VSHMOLGTKAAPSK-CGTJXYLNSA-N 2 1 321.896 2.544 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc[nH]c1=O ZINC000624257722 399617369 /nfs/dbraw/zinc/61/73/69/399617369.db2.gz NXWCKUXPJAKCBR-MAUKXSAKSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@H]([NH2+]Cc1ccc[nH]c1=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624259649 399619207 /nfs/dbraw/zinc/61/92/07/399619207.db2.gz SDAXIEUHMNEYIQ-YJBOKZPZSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347991089 285287074 /nfs/dbraw/zinc/28/70/74/285287074.db2.gz BNVGWIOZVCZUGX-QXAKKESOSA-N 2 1 302.462 2.913 20 0 DFADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCCC1CCCCC1 ZINC000348009003 285296057 /nfs/dbraw/zinc/29/60/57/285296057.db2.gz QLSJFFKLSVYORT-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCCC1CCCCC1 ZINC000348009003 285296058 /nfs/dbraw/zinc/29/60/58/285296058.db2.gz QLSJFFKLSVYORT-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1cc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C2CC2)ccc1F ZINC000289482231 221007743 /nfs/dbraw/zinc/00/77/43/221007743.db2.gz IOAQWYZLQKEAJO-WMZOPIPTSA-N 2 1 306.425 2.630 20 0 DFADMP Cc1cc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C2CC2)ccc1F ZINC000289482231 221007744 /nfs/dbraw/zinc/00/77/44/221007744.db2.gz IOAQWYZLQKEAJO-WMZOPIPTSA-N 2 1 306.425 2.630 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1)C1CC1 ZINC000289478090 221004125 /nfs/dbraw/zinc/00/41/25/221004125.db2.gz HYRMMLIULRNYAQ-RTBURBONSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1)C1CC1 ZINC000289478090 221004128 /nfs/dbraw/zinc/00/41/28/221004128.db2.gz HYRMMLIULRNYAQ-RTBURBONSA-N 2 1 302.462 2.963 20 0 DFADMP CC(C)[C@H]1C[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH+]1C ZINC000625728543 399626140 /nfs/dbraw/zinc/62/61/40/399626140.db2.gz XHMLWBVAOGPNBL-WOJBJXKFSA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000625728543 399626142 /nfs/dbraw/zinc/62/61/42/399626142.db2.gz XHMLWBVAOGPNBL-WOJBJXKFSA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[C@H]1C[NH+](Cc2ccccc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000625728543 399626145 /nfs/dbraw/zinc/62/61/45/399626145.db2.gz XHMLWBVAOGPNBL-WOJBJXKFSA-N 2 1 315.505 2.923 20 0 DFADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000629512871 399629637 /nfs/dbraw/zinc/62/96/37/399629637.db2.gz FYTQNTQZYOZZIC-XTWPYSKKSA-N 2 1 314.351 2.509 20 0 DFADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512929 399630519 /nfs/dbraw/zinc/63/05/19/399630519.db2.gz CZOGNTZJCADSGI-WBQNTZJQSA-N 2 1 324.852 2.545 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CC[NH+](C)C1 ZINC000120940824 195268285 /nfs/dbraw/zinc/26/82/85/195268285.db2.gz HLFJYKYFMNGNID-LBPRGKRZSA-N 2 1 320.387 2.738 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CC[NH+](C)C1 ZINC000120940824 195268287 /nfs/dbraw/zinc/26/82/87/195268287.db2.gz HLFJYKYFMNGNID-LBPRGKRZSA-N 2 1 320.387 2.738 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CC[N@H+](C)C1 ZINC000120940824 195268289 /nfs/dbraw/zinc/26/82/89/195268289.db2.gz HLFJYKYFMNGNID-LBPRGKRZSA-N 2 1 320.387 2.738 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@H]1CC[N@@H+](C)C1 ZINC000120940824 195268290 /nfs/dbraw/zinc/26/82/90/195268290.db2.gz HLFJYKYFMNGNID-LBPRGKRZSA-N 2 1 320.387 2.738 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000289835047 221258362 /nfs/dbraw/zinc/25/83/62/221258362.db2.gz PNKQPFQCLOPMOT-HNNXBMFYSA-N 2 1 321.465 2.594 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000289835047 221258365 /nfs/dbraw/zinc/25/83/65/221258365.db2.gz PNKQPFQCLOPMOT-HNNXBMFYSA-N 2 1 321.465 2.594 20 0 DFADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000289864227 221277603 /nfs/dbraw/zinc/27/76/03/221277603.db2.gz GRACLFODBRHARE-QZTJIDSGSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1cc(Cl)c2c(c1)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CCCO2 ZINC000629523743 399635210 /nfs/dbraw/zinc/63/52/10/399635210.db2.gz IQZLMQUAYXRJPA-HNNXBMFYSA-N 2 1 324.852 2.960 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)s1 ZINC000629523546 399635241 /nfs/dbraw/zinc/63/52/41/399635241.db2.gz GEDVPQJRZPMOKD-SECBINFHSA-N 2 1 319.268 2.669 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)cc1 ZINC000629525238 399635341 /nfs/dbraw/zinc/63/53/41/399635341.db2.gz YYIBSLXDQLSUOC-LLVKDONJSA-N 2 1 313.239 2.608 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(COCCOC)cc2)[C@@H](C)C1 ZINC000289876958 221286565 /nfs/dbraw/zinc/28/65/65/221286565.db2.gz WYWCZQVJIJAHHW-LPHOPBHVSA-N 2 1 320.477 2.670 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(Br)s1 ZINC000629523547 399635594 /nfs/dbraw/zinc/63/55/94/399635594.db2.gz GEDVPQJRZPMOKD-VIFPVBQESA-N 2 1 319.268 2.669 20 0 DFADMP C[C@H]1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[NH2+]1 ZINC000629535678 399638958 /nfs/dbraw/zinc/63/89/58/399638958.db2.gz DOIXDKIETLMLQN-MLBPIDQTSA-N 2 1 313.445 2.549 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)CCOc1cc(Cl)ccc1Cl ZINC000629567480 399652638 /nfs/dbraw/zinc/65/26/38/399652638.db2.gz FESSPEDQDDOEAA-UHFFFAOYSA-N 2 1 321.248 2.540 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCC(=O)Nc1ccccc1Cl)C2 ZINC000629592864 399658036 /nfs/dbraw/zinc/65/80/36/399658036.db2.gz FKFPCNUXWZREEW-CALCHBBNSA-N 2 1 321.852 2.600 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c2ccccc21 ZINC000629598879 399660032 /nfs/dbraw/zinc/66/00/32/399660032.db2.gz XHORNJWGBZBAAE-MNEFBYGVSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc21 ZINC000629598879 399660034 /nfs/dbraw/zinc/66/00/34/399660034.db2.gz XHORNJWGBZBAAE-MNEFBYGVSA-N 2 1 302.462 2.916 20 0 DFADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547182 399643465 /nfs/dbraw/zinc/64/34/65/399643465.db2.gz RUWXAOABUWOMEY-ISTVAULSSA-N 2 1 315.230 2.859 20 0 DFADMP C[C@@H]1C[C@H]1C[NH+]1CCC(c2cc(C3CC[NH2+]CC3)n[nH]2)CC1 ZINC000629547324 399644145 /nfs/dbraw/zinc/64/41/45/399644145.db2.gz MJARIHGHPOVKNA-CJNGLKHVSA-N 2 1 302.466 2.712 20 0 DFADMP CC1(C)CCC(C)(C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629546242 399644306 /nfs/dbraw/zinc/64/43/06/399644306.db2.gz OMKYNMHDUJTTEH-IRXDYDNUSA-N 2 1 304.478 2.818 20 0 DFADMP CC1(C)CCC(C)(C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629546242 399644310 /nfs/dbraw/zinc/64/43/10/399644310.db2.gz OMKYNMHDUJTTEH-IRXDYDNUSA-N 2 1 304.478 2.818 20 0 DFADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1C ZINC000629549931 399645915 /nfs/dbraw/zinc/64/59/15/399645915.db2.gz XOCDVYYCSNXNSO-NVXWUHKLSA-N 2 1 313.449 2.589 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629559211 399648886 /nfs/dbraw/zinc/64/88/86/399648886.db2.gz AJPRFPORUORLGU-GJZGRUSLSA-N 2 1 316.367 2.662 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCOCc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629559211 399648890 /nfs/dbraw/zinc/64/88/90/399648890.db2.gz AJPRFPORUORLGU-GJZGRUSLSA-N 2 1 316.367 2.662 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000629563769 399650293 /nfs/dbraw/zinc/65/02/93/399650293.db2.gz RALGISYYBWJDQB-MELADBBJSA-N 2 1 308.388 2.651 20 0 DFADMP COCc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564655 399651251 /nfs/dbraw/zinc/65/12/51/399651251.db2.gz TYBOZFMXYCCCRO-GJZGRUSLSA-N 2 1 316.367 2.792 20 0 DFADMP COCc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629564655 399651256 /nfs/dbraw/zinc/65/12/56/399651256.db2.gz TYBOZFMXYCCCRO-GJZGRUSLSA-N 2 1 316.367 2.792 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629562861 399651333 /nfs/dbraw/zinc/65/13/33/399651333.db2.gz CVLIAGLPFUNMTE-BXUZGUMPSA-N 2 1 320.330 2.664 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629562861 399651337 /nfs/dbraw/zinc/65/13/37/399651337.db2.gz CVLIAGLPFUNMTE-BXUZGUMPSA-N 2 1 320.330 2.664 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(-c2ccc(Cl)cc2)no1 ZINC000629568942 399652456 /nfs/dbraw/zinc/65/24/56/399652456.db2.gz NCESROMQCPOKJD-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Br)c(Cl)c1 ZINC000629661456 399680195 /nfs/dbraw/zinc/68/01/95/399680195.db2.gz BPVZSDUFYKEERP-UHFFFAOYSA-N 2 1 321.646 2.510 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1ccc(OCC3CC3)cc1)C2 ZINC000629663803 399681361 /nfs/dbraw/zinc/68/13/61/399681361.db2.gz HAAYEDYVBHXAKP-KDURUIRLSA-N 2 1 300.446 2.907 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1ccc(OCC3CC3)cc1)C2 ZINC000629663803 399681366 /nfs/dbraw/zinc/68/13/66/399681366.db2.gz HAAYEDYVBHXAKP-KDURUIRLSA-N 2 1 300.446 2.907 20 0 DFADMP COC(=O)c1cccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)n1 ZINC000603117321 399685717 /nfs/dbraw/zinc/68/57/17/399685717.db2.gz GNWJMSUYEISYDW-UHFFFAOYSA-N 2 1 319.449 2.566 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(-c2ccccc2F)o1 ZINC000629652532 399675782 /nfs/dbraw/zinc/67/57/82/399675782.db2.gz GKBISNPYUUARIC-UHFFFAOYSA-N 2 1 306.381 2.754 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(OC)c2ccccc12 ZINC000629652627 399676145 /nfs/dbraw/zinc/67/61/45/399676145.db2.gz KEIVYRBXDDWYGZ-UHFFFAOYSA-N 2 1 302.418 2.516 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629654364 399676433 /nfs/dbraw/zinc/67/64/33/399676433.db2.gz HUMVOINEHIQLFT-ZIAGYGMSSA-N 2 1 316.367 2.963 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629654364 399676434 /nfs/dbraw/zinc/67/64/34/399676434.db2.gz HUMVOINEHIQLFT-ZIAGYGMSSA-N 2 1 316.367 2.963 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(F)(F)F)cc1C ZINC000629653726 399676474 /nfs/dbraw/zinc/67/64/74/399676474.db2.gz MMJJICHOSNXTOA-UHFFFAOYSA-N 2 1 304.356 2.682 20 0 DFADMP c1cc2c(c(-c3ccc(C[NH+]4CCOCC4)cc3)c1)C[NH2+]CC2 ZINC000629733458 399706522 /nfs/dbraw/zinc/70/65/22/399706522.db2.gz TXDWFXJFRXTKFZ-UHFFFAOYSA-N 2 1 308.425 2.832 20 0 DFADMP C[C@H]([NH3+])Cc1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000629734918 399707967 /nfs/dbraw/zinc/70/79/67/399707967.db2.gz AJFVTRUETVXYTP-KRWDZBQOSA-N 2 1 323.484 2.991 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(F)cc2CO)cc1 ZINC000629738312 399710131 /nfs/dbraw/zinc/71/01/31/399710131.db2.gz MGLYAGNMPYRIMY-SFHVURJKSA-N 2 1 314.404 2.908 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2ccc(F)cc2CO)cc1 ZINC000629738312 399710135 /nfs/dbraw/zinc/71/01/35/399710135.db2.gz MGLYAGNMPYRIMY-SFHVURJKSA-N 2 1 314.404 2.908 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000093643824 542553143 /nfs/dbraw/zinc/55/31/43/542553143.db2.gz RMTPEBFDIUYJTP-WMZOPIPTSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000093643824 542553150 /nfs/dbraw/zinc/55/31/50/542553150.db2.gz RMTPEBFDIUYJTP-WMZOPIPTSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000093643824 542553156 /nfs/dbraw/zinc/55/31/56/542553156.db2.gz RMTPEBFDIUYJTP-WMZOPIPTSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[NH+]1C ZINC000093643824 542553159 /nfs/dbraw/zinc/55/31/59/542553159.db2.gz RMTPEBFDIUYJTP-WMZOPIPTSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[NH+]1C ZINC000093643824 542553163 /nfs/dbraw/zinc/55/31/63/542553163.db2.gz RMTPEBFDIUYJTP-WMZOPIPTSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000093643824 542553167 /nfs/dbraw/zinc/55/31/67/542553167.db2.gz RMTPEBFDIUYJTP-WMZOPIPTSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000093643824 542553170 /nfs/dbraw/zinc/55/31/70/542553170.db2.gz RMTPEBFDIUYJTP-WMZOPIPTSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000617502595 399719270 /nfs/dbraw/zinc/71/92/70/399719270.db2.gz VOYSDNQAUQXONA-JQHSSLGASA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[C@@H]1C1CC1 ZINC000617502595 399719273 /nfs/dbraw/zinc/71/92/73/399719273.db2.gz VOYSDNQAUQXONA-JQHSSLGASA-N 2 1 323.525 2.591 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000617504536 399720722 /nfs/dbraw/zinc/72/07/22/399720722.db2.gz ZZWMOBOBKNGGDO-WMZOPIPTSA-N 2 1 319.493 2.568 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000617504536 399720725 /nfs/dbraw/zinc/72/07/25/399720725.db2.gz ZZWMOBOBKNGGDO-WMZOPIPTSA-N 2 1 319.493 2.568 20 0 DFADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000348104015 285351758 /nfs/dbraw/zinc/35/17/58/285351758.db2.gz NHYRUNKAVAAACL-RTBURBONSA-N 2 1 301.478 2.712 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H]1C[C@@H](O)C1 ZINC000626047441 399733973 /nfs/dbraw/zinc/73/39/73/399733973.db2.gz MHNOFKQOQLCLEY-KDURUIRLSA-N 2 1 302.462 2.875 20 0 DFADMP CC[N@@H+](CCn1ccnc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063107 399741314 /nfs/dbraw/zinc/74/13/14/399741314.db2.gz REAYFUPELCOSJZ-UHFFFAOYSA-N 2 1 300.450 2.775 20 0 DFADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063107 399741317 /nfs/dbraw/zinc/74/13/17/399741317.db2.gz REAYFUPELCOSJZ-UHFFFAOYSA-N 3 1 300.450 2.775 20 0 DFADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063107 399741321 /nfs/dbraw/zinc/74/13/21/399741321.db2.gz REAYFUPELCOSJZ-UHFFFAOYSA-N 3 1 300.450 2.775 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@H]1CCN(C(C)C)C1=O ZINC000626062158 399741181 /nfs/dbraw/zinc/74/11/81/399741181.db2.gz JTCGRHOMVKVHFS-SFHVURJKSA-N 2 1 317.477 2.579 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000603320420 399743749 /nfs/dbraw/zinc/74/37/49/399743749.db2.gz IMJMEHPFHLGGGC-CRAIPNDOSA-N 2 1 317.477 2.526 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295037628 533376024 /nfs/dbraw/zinc/37/60/24/533376024.db2.gz NQHNBKRBLATAGM-MOPGFXCFSA-N 2 1 302.462 2.662 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCCOC2=O)cc1 ZINC000292824435 533379765 /nfs/dbraw/zinc/37/97/65/533379765.db2.gz SXMSDLWCOWXZJW-CQSZACIVSA-N 2 1 305.422 2.636 20 0 DFADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626105066 399754856 /nfs/dbraw/zinc/75/48/56/399754856.db2.gz QVWGCJPLVNOFAB-OTWHNJEPSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125241890 542600177 /nfs/dbraw/zinc/60/01/77/542600177.db2.gz DKDLZHNIDOVZCL-SJLPKXTDSA-N 2 1 303.450 2.799 20 0 DFADMP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000621342158 399760277 /nfs/dbraw/zinc/76/02/77/399760277.db2.gz KNRJTFMYILTCQX-INIZCTEOSA-N 2 1 305.466 2.938 20 0 DFADMP CCOc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000621342158 399760285 /nfs/dbraw/zinc/76/02/85/399760285.db2.gz KNRJTFMYILTCQX-INIZCTEOSA-N 2 1 305.466 2.938 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNC(=O)C[N@@H+](C)C1CCC1 ZINC000629944241 399761155 /nfs/dbraw/zinc/76/11/55/399761155.db2.gz LLVOUIHIVFCAMH-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CCC[NH+]1CCC(Nc2cccc(C[NH+]3CCOCC3)c2)CC1 ZINC000131589423 542638521 /nfs/dbraw/zinc/63/85/21/542638521.db2.gz NGORWGXNMOAGGJ-UHFFFAOYSA-N 2 1 317.477 2.805 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(C)cn2)[C@H](C)C1 ZINC000134330258 542649874 /nfs/dbraw/zinc/64/98/74/542649874.db2.gz CBHQBRZOBMVVOV-AEFFLSMTSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cn2)[C@H](C)C1 ZINC000134330258 542649877 /nfs/dbraw/zinc/64/98/77/542649877.db2.gz CBHQBRZOBMVVOV-AEFFLSMTSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cn2)[C@H](C)C1 ZINC000134330258 542649880 /nfs/dbraw/zinc/64/98/80/542649880.db2.gz CBHQBRZOBMVVOV-AEFFLSMTSA-N 2 1 305.466 2.617 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966125 131308367 /nfs/dbraw/zinc/30/83/67/131308367.db2.gz ZANBMHKFIZKPRK-AEFFLSMTSA-N 2 1 324.896 2.907 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966125 131308369 /nfs/dbraw/zinc/30/83/69/131308369.db2.gz ZANBMHKFIZKPRK-AEFFLSMTSA-N 2 1 324.896 2.907 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966125 131308371 /nfs/dbraw/zinc/30/83/71/131308371.db2.gz ZANBMHKFIZKPRK-AEFFLSMTSA-N 2 1 324.896 2.907 20 0 DFADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000154314137 542688278 /nfs/dbraw/zinc/68/82/78/542688278.db2.gz PXULFZHYQAKZIY-OALUTQOASA-N 2 1 304.478 2.690 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262025663 285501503 /nfs/dbraw/zinc/50/15/03/285501503.db2.gz WZXJPNAQNRCZQD-HCXYKTFWSA-N 2 1 300.446 2.811 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000165984710 542749840 /nfs/dbraw/zinc/74/98/40/542749840.db2.gz ZWVREICJEOJFQJ-IAGOWNOFSA-N 2 1 312.461 2.951 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000164571877 542746565 /nfs/dbraw/zinc/74/65/65/542746565.db2.gz OKWLNDKASOGZQO-QGTPRVQTSA-N 2 1 315.461 2.984 20 0 DFADMP CCc1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000174769693 542762297 /nfs/dbraw/zinc/76/22/97/542762297.db2.gz UVVRRHLLGOIVCW-YJBOKZPZSA-N 2 1 317.477 2.850 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1Cl ZINC000621488029 399813380 /nfs/dbraw/zinc/81/33/80/399813380.db2.gz OCYLYCJPHMBBFD-ZUEPYMLJSA-N 2 1 323.868 2.576 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2c[nH]nc2C)[C@@H](C)C1 ZINC000245882436 542918099 /nfs/dbraw/zinc/91/80/99/542918099.db2.gz BGKLGOIHXNFPHI-ZQIUZPCESA-N 2 1 308.470 2.506 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2c[nH]nc2C)[C@@H](C)C1 ZINC000245882436 542918104 /nfs/dbraw/zinc/91/81/04/542918104.db2.gz BGKLGOIHXNFPHI-ZQIUZPCESA-N 2 1 308.470 2.506 20 0 DFADMP c1ccc(C(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccccc2)cc1 ZINC000613209731 399820101 /nfs/dbraw/zinc/82/01/01/399820101.db2.gz FTXTWFMXVSJEKK-WOJBJXKFSA-N 2 1 322.452 2.944 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000251895659 542946604 /nfs/dbraw/zinc/94/66/04/542946604.db2.gz WKBNPGFBEJZMNT-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccco1 ZINC000252801781 542948287 /nfs/dbraw/zinc/94/82/87/542948287.db2.gz MQDGEYLZLXUSOH-YESZJQIVSA-N 2 1 305.466 2.879 20 0 DFADMP CN(CC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1)c1ccccc1 ZINC000261633990 542952507 /nfs/dbraw/zinc/95/25/07/542952507.db2.gz FCAUNZMTXFBYAE-QUCCMNQESA-N 2 1 309.457 2.797 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000273099607 542969827 /nfs/dbraw/zinc/96/98/27/542969827.db2.gz OGQMBFLARVZEID-KXBFYZLASA-N 2 1 323.444 2.940 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000275805637 542976210 /nfs/dbraw/zinc/97/62/10/542976210.db2.gz UHFOFOPVIREHFW-MSOLQXFVSA-N 2 1 317.477 2.918 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000280003420 542985940 /nfs/dbraw/zinc/98/59/40/542985940.db2.gz GDVIAYOTLCBMKV-GUYCJALGSA-N 2 1 316.445 2.765 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146969 542987187 /nfs/dbraw/zinc/98/71/87/542987187.db2.gz PZRDBPIOYLCVKJ-CJNGLKHVSA-N 2 1 304.434 2.623 20 0 DFADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000298323899 543042218 /nfs/dbraw/zinc/04/22/18/543042218.db2.gz ILDIDAVLLSVJQX-GOSISDBHSA-N 2 1 315.417 2.721 20 0 DFADMP C[C@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309770561 543066183 /nfs/dbraw/zinc/06/61/83/543066183.db2.gz HIUSAAUTANFWEY-RDJZCZTQSA-N 2 1 317.477 2.531 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C2 ZINC000319602896 543079841 /nfs/dbraw/zinc/07/98/41/543079841.db2.gz KPQKYWRDBXCXDQ-GUYCJALGSA-N 2 1 321.852 2.729 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000328264098 543095732 /nfs/dbraw/zinc/09/57/32/543095732.db2.gz NUVIVHHSGYSDOX-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000328264098 543095733 /nfs/dbraw/zinc/09/57/33/543095733.db2.gz NUVIVHHSGYSDOX-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000328264098 543095736 /nfs/dbraw/zinc/09/57/36/543095736.db2.gz NUVIVHHSGYSDOX-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CCCN1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000328264098 543095740 /nfs/dbraw/zinc/09/57/40/543095740.db2.gz NUVIVHHSGYSDOX-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOC3CCOCC3)C2)CC1 ZINC000625118483 399848409 /nfs/dbraw/zinc/84/84/09/399848409.db2.gz MCEVWAOWQGTAQR-SFHVURJKSA-N 2 1 324.509 2.626 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOC3CCOCC3)C2)CC1 ZINC000625118483 399848413 /nfs/dbraw/zinc/84/84/13/399848413.db2.gz MCEVWAOWQGTAQR-SFHVURJKSA-N 2 1 324.509 2.626 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000339278975 543143517 /nfs/dbraw/zinc/14/35/17/543143517.db2.gz NNXQBEONPVUICP-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2n1 ZINC000339068355 543139496 /nfs/dbraw/zinc/13/94/96/543139496.db2.gz FXNLFNMLBSALNP-CVEARBPZSA-N 2 1 311.429 2.960 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068002 543139818 /nfs/dbraw/zinc/13/98/18/543139818.db2.gz IYLJLOUOCIRATF-PMACEKPBSA-N 3 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068002 543139820 /nfs/dbraw/zinc/13/98/20/543139820.db2.gz IYLJLOUOCIRATF-PMACEKPBSA-N 2 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068002 543139823 /nfs/dbraw/zinc/13/98/23/543139823.db2.gz IYLJLOUOCIRATF-PMACEKPBSA-N 2 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068014 543140198 /nfs/dbraw/zinc/14/01/98/543140198.db2.gz IYLJLOUOCIRATF-UXHICEINSA-N 3 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068014 543140200 /nfs/dbraw/zinc/14/02/00/543140200.db2.gz IYLJLOUOCIRATF-UXHICEINSA-N 2 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068014 543140202 /nfs/dbraw/zinc/14/02/02/543140202.db2.gz IYLJLOUOCIRATF-UXHICEINSA-N 2 1 313.489 2.999 20 0 DFADMP c1ccc2c(c1)CC[NH+](CCCN[C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339076132 543140634 /nfs/dbraw/zinc/14/06/34/543140634.db2.gz TUWZMEWIARHIFS-PMACEKPBSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000339076132 543140639 /nfs/dbraw/zinc/14/06/39/543140639.db2.gz TUWZMEWIARHIFS-PMACEKPBSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCCN[C@H]1CC[NH+]3CCC[C@H]3C1)C2 ZINC000339076132 543140641 /nfs/dbraw/zinc/14/06/41/543140641.db2.gz TUWZMEWIARHIFS-PMACEKPBSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)C2 ZINC000339076132 543140644 /nfs/dbraw/zinc/14/06/44/543140644.db2.gz TUWZMEWIARHIFS-PMACEKPBSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339076132 543140648 /nfs/dbraw/zinc/14/06/48/543140648.db2.gz TUWZMEWIARHIFS-PMACEKPBSA-N 2 1 313.489 2.651 20 0 DFADMP Clc1cccnc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339073689 543140668 /nfs/dbraw/zinc/14/06/68/543140668.db2.gz DDULYRXTHFMGQC-KKUMJFAQSA-N 2 1 320.868 2.530 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339251296 543142027 /nfs/dbraw/zinc/14/20/27/543142027.db2.gz CQENFCLBQXNLIX-XDNAFOTISA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339251296 543142029 /nfs/dbraw/zinc/14/20/29/543142029.db2.gz CQENFCLBQXNLIX-XDNAFOTISA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339251296 543142030 /nfs/dbraw/zinc/14/20/30/543142030.db2.gz CQENFCLBQXNLIX-XDNAFOTISA-N 2 1 323.525 2.734 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(COC)o2)[C@H](C)C1 ZINC000344429767 543172771 /nfs/dbraw/zinc/17/27/71/543172771.db2.gz KCKVSIRMRZRCFU-CRAIPNDOSA-N 2 1 324.465 2.653 20 0 DFADMP COC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440034 292111129 /nfs/dbraw/zinc/11/11/29/292111129.db2.gz ZVMJIFBETSILFI-MSOLQXFVSA-N 2 1 324.509 2.768 20 0 DFADMP COC1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440034 292111131 /nfs/dbraw/zinc/11/11/31/292111131.db2.gz ZVMJIFBETSILFI-MSOLQXFVSA-N 2 1 324.509 2.768 20 0 DFADMP COC1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440034 292111134 /nfs/dbraw/zinc/11/11/34/292111134.db2.gz ZVMJIFBETSILFI-MSOLQXFVSA-N 2 1 324.509 2.768 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)CC2 ZINC000353687560 543238994 /nfs/dbraw/zinc/23/89/94/543238994.db2.gz MCTJIKMSXXBSAX-BRSBDYLESA-N 2 1 316.493 2.784 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379659407 543297211 /nfs/dbraw/zinc/29/72/11/543297211.db2.gz ZVQFQEOSGLUAPX-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953240 543297557 /nfs/dbraw/zinc/29/75/57/543297557.db2.gz SGQYRABOAVXFTM-PKOBYXMFSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953240 543297558 /nfs/dbraw/zinc/29/75/58/543297558.db2.gz SGQYRABOAVXFTM-PKOBYXMFSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381802331 543298084 /nfs/dbraw/zinc/29/80/84/543298084.db2.gz UOGITISPMPBAHK-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381802331 543298086 /nfs/dbraw/zinc/29/80/86/543298086.db2.gz UOGITISPMPBAHK-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381802331 543298088 /nfs/dbraw/zinc/29/80/88/543298088.db2.gz UOGITISPMPBAHK-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381802331 543298090 /nfs/dbraw/zinc/29/80/90/543298090.db2.gz UOGITISPMPBAHK-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)[C@@H](O)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000165394276 145231254 /nfs/dbraw/zinc/23/12/54/145231254.db2.gz BNDAJEDHJZBUCF-IBGZPJMESA-N 2 1 304.478 2.690 20 0 DFADMP C[C@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000166237899 145234067 /nfs/dbraw/zinc/23/40/67/145234067.db2.gz YPQCOXGKVRZONJ-HNAYVOBHSA-N 2 1 319.493 2.618 20 0 DFADMP C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000166237676 145234558 /nfs/dbraw/zinc/23/45/58/145234558.db2.gz YPQCOXGKVRZONJ-KXBFYZLASA-N 2 1 319.493 2.618 20 0 DFADMP C[C@@H](NC[C@H](C1CC1)[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000166238020 145234780 /nfs/dbraw/zinc/23/47/80/145234780.db2.gz YPQCOXGKVRZONJ-DNVCBOLYSA-N 2 1 319.493 2.618 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000167463814 145240095 /nfs/dbraw/zinc/24/00/95/145240095.db2.gz UAVYRYWUCMWJMH-MGPQQGTHSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000167463814 145240098 /nfs/dbraw/zinc/24/00/98/145240098.db2.gz UAVYRYWUCMWJMH-MGPQQGTHSA-N 2 1 309.404 2.616 20 0 DFADMP CC(C)(O)C[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000172150861 145293263 /nfs/dbraw/zinc/29/32/63/145293263.db2.gz GCTYNBJBFXWXQC-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)C(C)(C)C ZINC000630382232 399880224 /nfs/dbraw/zinc/88/02/24/399880224.db2.gz RWMQOISDAGMIOA-SJORKVTESA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H](O)C[N@@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1C ZINC000174732269 145389394 /nfs/dbraw/zinc/38/93/94/145389394.db2.gz YQTSGUFBBDRSNP-CHWSQXEVSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H](O)C[N@H+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H]1C ZINC000174732269 145389396 /nfs/dbraw/zinc/38/93/96/145389396.db2.gz YQTSGUFBBDRSNP-CHWSQXEVSA-N 2 1 319.836 2.780 20 0 DFADMP COCCc1ncc(C[NH2+]CCC[NH+]2CCC(C)CC2)s1 ZINC000631035858 399966405 /nfs/dbraw/zinc/96/64/05/399966405.db2.gz ROCIQCIHGSKWKZ-UHFFFAOYSA-N 2 1 311.495 2.544 20 0 DFADMP O=c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)c[nH]1 ZINC000631056051 399970970 /nfs/dbraw/zinc/97/09/70/399970970.db2.gz DDZGWORLDLYWLB-HNNXBMFYSA-N 2 1 317.458 2.851 20 0 DFADMP O=c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)c[nH]1 ZINC000631056051 399970972 /nfs/dbraw/zinc/97/09/72/399970972.db2.gz DDZGWORLDLYWLB-HNNXBMFYSA-N 2 1 317.458 2.851 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631063331 399972557 /nfs/dbraw/zinc/97/25/57/399972557.db2.gz CCXCTQBHNKTYMG-QGZVFWFLSA-N 2 1 304.482 2.893 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CCC2)C1 ZINC000631063331 399972559 /nfs/dbraw/zinc/97/25/59/399972559.db2.gz CCXCTQBHNKTYMG-QGZVFWFLSA-N 2 1 304.482 2.893 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631082864 399977196 /nfs/dbraw/zinc/97/71/96/399977196.db2.gz IQGYBSMQQZBVRL-YJBOKZPZSA-N 2 1 311.429 2.787 20 0 DFADMP CCC(O)(CC)C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000628479719 400035814 /nfs/dbraw/zinc/03/58/14/400035814.db2.gz YHGGPELPGHSKER-UHFFFAOYSA-N 2 1 308.466 2.610 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000628167262 399995193 /nfs/dbraw/zinc/99/51/93/399995193.db2.gz INVSSXBRAIBMOS-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000628186671 399998246 /nfs/dbraw/zinc/99/82/46/399998246.db2.gz SMHWMOGVUHPNMU-HOTGVXAUSA-N 2 1 300.512 2.705 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000631194536 400000337 /nfs/dbraw/zinc/00/03/37/400000337.db2.gz LYTDIDYFRLNLGD-DSLXNQLJSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000631195023 400001108 /nfs/dbraw/zinc/00/11/08/400001108.db2.gz AECLEPHUCVUESS-DOTOQJQBSA-N 2 1 314.429 2.630 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000631195023 400001110 /nfs/dbraw/zinc/00/11/10/400001110.db2.gz AECLEPHUCVUESS-DOTOQJQBSA-N 2 1 314.429 2.630 20 0 DFADMP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195835 400001267 /nfs/dbraw/zinc/00/12/67/400001267.db2.gz KNTHPZZGIUXPFM-KDOFPFPSSA-N 2 1 312.461 2.884 20 0 DFADMP CC[C@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000628211724 400001852 /nfs/dbraw/zinc/00/18/52/400001852.db2.gz DBTCTJHPSGZSCZ-IRXDYDNUSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@@]3(C)CCCS3)C2)nc(C)[nH+]1 ZINC000628212812 400002573 /nfs/dbraw/zinc/00/25/73/400002573.db2.gz HXKACIVFQYZDTQ-DOTOQJQBSA-N 2 1 320.506 2.938 20 0 DFADMP Cc1ncc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)o1 ZINC000628243014 400006775 /nfs/dbraw/zinc/00/67/75/400006775.db2.gz ZFJBQZKSVHSWPG-CQSZACIVSA-N 2 1 300.406 2.814 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)o1 ZINC000628243014 400006777 /nfs/dbraw/zinc/00/67/77/400006777.db2.gz ZFJBQZKSVHSWPG-CQSZACIVSA-N 2 1 300.406 2.814 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000631566136 400052222 /nfs/dbraw/zinc/05/22/22/400052222.db2.gz LQYCFQYJOHRDAV-WMLDXEAASA-N 2 1 316.445 2.983 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000631578816 400054122 /nfs/dbraw/zinc/05/41/22/400054122.db2.gz ATUDOZYCWCSRIC-HOCLYGCPSA-N 2 1 304.434 2.840 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631582277 400054834 /nfs/dbraw/zinc/05/48/34/400054834.db2.gz JMVRXIIEGHNGEW-INIZCTEOSA-N 2 1 304.434 2.983 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(OC)c1OC ZINC000631604711 400057355 /nfs/dbraw/zinc/05/73/55/400057355.db2.gz DFGCJFGQRHUDBC-DZGCQCFKSA-N 2 1 315.417 2.956 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(OC)c1OC ZINC000631604712 400057511 /nfs/dbraw/zinc/05/75/11/400057511.db2.gz DFGCJFGQRHUDBC-HIFRSBDPSA-N 2 1 315.417 2.956 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000631607907 400057709 /nfs/dbraw/zinc/05/77/09/400057709.db2.gz WBMOYZYHYJGURB-ZFWWWQNUSA-N 2 1 313.401 2.710 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000631654733 400062341 /nfs/dbraw/zinc/06/23/41/400062341.db2.gz GIMSFDUKIBATGJ-SJORKVTESA-N 2 1 310.388 2.869 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628966511 400066963 /nfs/dbraw/zinc/06/69/63/400066963.db2.gz YHUYUGYJNGRLSC-GDBMZVCRSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000628966511 400066965 /nfs/dbraw/zinc/06/69/65/400066965.db2.gz YHUYUGYJNGRLSC-GDBMZVCRSA-N 2 1 318.465 2.530 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@H](O)C(F)(F)F ZINC000631718280 400069642 /nfs/dbraw/zinc/06/96/42/400069642.db2.gz INTKSSGIBNCVCB-UXOAXIEHSA-N 2 1 322.415 2.931 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+](C)[C@H](C)C3)C2)cc1 ZINC000631749937 400072243 /nfs/dbraw/zinc/07/22/43/400072243.db2.gz YBQKFDARVRYHOF-NEWSRXKRSA-N 2 1 301.478 2.642 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+](C)[C@H](C)C3)C2)cc1 ZINC000631749937 400072244 /nfs/dbraw/zinc/07/22/44/400072244.db2.gz YBQKFDARVRYHOF-NEWSRXKRSA-N 2 1 301.478 2.642 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+](C)[C@H](C)C3)C2)cc1 ZINC000631749937 400072246 /nfs/dbraw/zinc/07/22/46/400072246.db2.gz YBQKFDARVRYHOF-NEWSRXKRSA-N 2 1 301.478 2.642 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)CC[N@H+]1C ZINC000631794098 400075767 /nfs/dbraw/zinc/07/57/67/400075767.db2.gz RMGGTNJQOOVMQP-RLLQIKCJSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH+]1C ZINC000631794098 400075769 /nfs/dbraw/zinc/07/57/69/400075769.db2.gz RMGGTNJQOOVMQP-RLLQIKCJSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH+]1C ZINC000631794098 400075770 /nfs/dbraw/zinc/07/57/70/400075770.db2.gz RMGGTNJQOOVMQP-RLLQIKCJSA-N 2 1 315.505 2.779 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@H]3CCC(F)(F)C3)C2)C1 ZINC000631828890 400078152 /nfs/dbraw/zinc/07/81/52/400078152.db2.gz AVZNEYGAVFXZES-YJNKXOJESA-N 2 1 302.409 2.640 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)n1 ZINC000631830455 400078238 /nfs/dbraw/zinc/07/82/38/400078238.db2.gz SLQATFVOWWEUQG-DZGCQCFKSA-N 2 1 315.383 2.966 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)c(C)n1 ZINC000631830455 400078239 /nfs/dbraw/zinc/07/82/39/400078239.db2.gz SLQATFVOWWEUQG-DZGCQCFKSA-N 2 1 315.383 2.966 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000631841276 400079027 /nfs/dbraw/zinc/07/90/27/400079027.db2.gz IQTUCZHUNKPXEA-OBJOEFQTSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000631841276 400079028 /nfs/dbraw/zinc/07/90/28/400079028.db2.gz IQTUCZHUNKPXEA-OBJOEFQTSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000236727758 146024734 /nfs/dbraw/zinc/02/47/34/146024734.db2.gz KCASECCMZJSIRX-DYVFJYSZSA-N 2 1 314.433 2.731 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCOC1CCCCCC1 ZINC000441259431 543355002 /nfs/dbraw/zinc/35/50/02/543355002.db2.gz DOWYRFGEMXNVHD-BHIYHBOVSA-N 2 1 324.509 2.909 20 0 DFADMP C[C@H](CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237606494 146047765 /nfs/dbraw/zinc/04/77/65/146047765.db2.gz AFCQBEKSEJWGIV-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H](CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C[NH+]1CCCC1 ZINC000237606494 146047767 /nfs/dbraw/zinc/04/77/67/146047767.db2.gz AFCQBEKSEJWGIV-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP OCC1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000238169199 146061079 /nfs/dbraw/zinc/06/10/79/146061079.db2.gz COBXKOKCVFIUNC-UHFFFAOYSA-N 2 1 302.462 2.588 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000245766662 146101176 /nfs/dbraw/zinc/10/11/76/146101176.db2.gz WMSAMICNKDIDNA-DOTOQJQBSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000245766662 146101179 /nfs/dbraw/zinc/10/11/79/146101179.db2.gz WMSAMICNKDIDNA-DOTOQJQBSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1O ZINC000245766662 146101184 /nfs/dbraw/zinc/10/11/84/146101184.db2.gz WMSAMICNKDIDNA-DOTOQJQBSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1O ZINC000245766662 146101186 /nfs/dbraw/zinc/10/11/86/146101186.db2.gz WMSAMICNKDIDNA-DOTOQJQBSA-N 2 1 316.445 2.850 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2CCCO2)C3)cc1 ZINC000245784378 146102945 /nfs/dbraw/zinc/10/29/45/146102945.db2.gz ZIVJNZVFJWCHRS-RDGPPVDQSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000246097261 146119863 /nfs/dbraw/zinc/11/98/63/146119863.db2.gz AWPIJLDLTXAIJP-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000246246117 146133887 /nfs/dbraw/zinc/13/38/87/146133887.db2.gz SDANLHFNTVHCFZ-WFASDCNBSA-N 2 1 324.852 2.931 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000246246117 146133890 /nfs/dbraw/zinc/13/38/90/146133890.db2.gz SDANLHFNTVHCFZ-WFASDCNBSA-N 2 1 324.852 2.931 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000246289648 146136511 /nfs/dbraw/zinc/13/65/11/146136511.db2.gz KSRXYVPEWIMOJJ-RHSMWYFYSA-N 2 1 318.465 2.552 20 0 DFADMP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000247075490 146160593 /nfs/dbraw/zinc/16/05/93/146160593.db2.gz QLHMAVREELRQGM-BRWVUGGUSA-N 2 1 317.477 2.594 20 0 DFADMP C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248876868 146172149 /nfs/dbraw/zinc/17/21/49/146172149.db2.gz JPPYYWLFSBXTNR-ZEENSLDLSA-N 2 1 320.502 2.539 20 0 DFADMP C[C@H](C[S@](C)=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248876868 146172154 /nfs/dbraw/zinc/17/21/54/146172154.db2.gz JPPYYWLFSBXTNR-ZEENSLDLSA-N 2 1 320.502 2.539 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000248995518 146181022 /nfs/dbraw/zinc/18/10/22/146181022.db2.gz OURSFYVGURDQDD-SOLBZPMBSA-N 2 1 308.466 2.500 20 0 DFADMP FC(F)COCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000249032359 146182666 /nfs/dbraw/zinc/18/26/66/146182666.db2.gz LTLXIWDBRLAGHY-BRWVUGGUSA-N 2 1 324.415 2.768 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C12CCOCC2 ZINC000249034908 146183656 /nfs/dbraw/zinc/18/36/56/146183656.db2.gz TXBQMSOKKWMWIX-FGTMMUONSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453351268 543371749 /nfs/dbraw/zinc/37/17/49/543371749.db2.gz PPXLMINLXDTNCZ-MNEFBYGVSA-N 2 1 312.461 2.776 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453351268 543371753 /nfs/dbraw/zinc/37/17/53/543371753.db2.gz PPXLMINLXDTNCZ-MNEFBYGVSA-N 2 1 312.461 2.776 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)C(F)F ZINC000453272088 543371793 /nfs/dbraw/zinc/37/17/93/543371793.db2.gz RXTTXWHQEKTZFW-FXUDXRNXSA-N 2 1 312.404 2.816 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H](O)C(F)F ZINC000453272088 543371795 /nfs/dbraw/zinc/37/17/95/543371795.db2.gz RXTTXWHQEKTZFW-FXUDXRNXSA-N 2 1 312.404 2.816 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000453351265 543371914 /nfs/dbraw/zinc/37/19/14/543371914.db2.gz PPXLMINLXDTNCZ-LZQZEXGQSA-N 2 1 312.461 2.776 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000453351265 543371916 /nfs/dbraw/zinc/37/19/16/543371916.db2.gz PPXLMINLXDTNCZ-LZQZEXGQSA-N 2 1 312.461 2.776 20 0 DFADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000249763431 146205273 /nfs/dbraw/zinc/20/52/73/146205273.db2.gz XZZLFZOWMGYSLY-OWSLCNJRSA-N 2 1 323.525 2.876 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249888097 146208728 /nfs/dbraw/zinc/20/87/28/146208728.db2.gz PRNIBOUDFBJOCD-WMZOPIPTSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249888097 146208730 /nfs/dbraw/zinc/20/87/30/146208730.db2.gz PRNIBOUDFBJOCD-WMZOPIPTSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000252893760 146224230 /nfs/dbraw/zinc/22/42/30/146224230.db2.gz RVHDBGANZOSGMV-SMDDNHRTSA-N 2 1 310.825 2.541 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000252893760 146224233 /nfs/dbraw/zinc/22/42/33/146224233.db2.gz RVHDBGANZOSGMV-SMDDNHRTSA-N 2 1 310.825 2.541 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000261579653 146242894 /nfs/dbraw/zinc/24/28/94/146242894.db2.gz PNODUDDHDAOCMZ-YDHLFZDLSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1Br ZINC000261579653 146242896 /nfs/dbraw/zinc/24/28/96/146242896.db2.gz PNODUDDHDAOCMZ-YDHLFZDLSA-N 2 1 309.251 2.927 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000261622741 146248317 /nfs/dbraw/zinc/24/83/17/146248317.db2.gz DMORHIBLNBXPHT-AWEZNQCLSA-N 2 1 318.339 2.635 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@](C)(C[NH3+])C2)c(SC)cc1OC ZINC000261628980 146249969 /nfs/dbraw/zinc/24/99/69/146249969.db2.gz FFOVEQKQFCHQIW-INIZCTEOSA-N 2 1 310.463 2.596 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@](C)(C[NH3+])C2)c(SC)cc1OC ZINC000261628980 146249972 /nfs/dbraw/zinc/24/99/72/146249972.db2.gz FFOVEQKQFCHQIW-INIZCTEOSA-N 2 1 310.463 2.596 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261688487 146259057 /nfs/dbraw/zinc/25/90/57/146259057.db2.gz ASHONQQXWZMUEN-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261688487 146259060 /nfs/dbraw/zinc/25/90/60/146259060.db2.gz ASHONQQXWZMUEN-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP Cc1cccc(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1C ZINC000261759766 146271777 /nfs/dbraw/zinc/27/17/77/146271777.db2.gz PUFJWEZUBNQAPE-SFHVURJKSA-N 2 1 315.461 2.706 20 0 DFADMP c1csc(C[N@H+](C[C@H]2CCSC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261762740 146272054 /nfs/dbraw/zinc/27/20/54/146272054.db2.gz DDRZKTHZZWYJLQ-ZIAGYGMSSA-N 2 1 323.531 2.840 20 0 DFADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261772103 146273514 /nfs/dbraw/zinc/27/35/14/146273514.db2.gz WEQJVOCDZYSSLM-DLBZAZTESA-N 2 1 307.869 2.771 20 0 DFADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@H]1CCSC1 ZINC000261773889 146274863 /nfs/dbraw/zinc/27/48/63/146274863.db2.gz DWMPHOOYHGCILN-ZIAGYGMSSA-N 2 1 311.520 2.616 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]12 ZINC000261773619 146275203 /nfs/dbraw/zinc/27/52/03/146275203.db2.gz WFDPWWWRSOESFJ-FPMFFAJLSA-N 2 1 300.324 2.754 20 0 DFADMP Cc1nc(C)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261816867 146281879 /nfs/dbraw/zinc/28/18/79/146281879.db2.gz RXFOKGOCBBEGAU-CVEARBPZSA-N 2 1 301.459 2.934 20 0 DFADMP CC[C@H]1C[N@@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000261831446 146284948 /nfs/dbraw/zinc/28/49/48/146284948.db2.gz JBBKULZBZYVLPK-IBGZPJMESA-N 2 1 301.478 2.582 20 0 DFADMP C[C@]1(C[N@@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC[NH2+]C1 ZINC000261890456 146296251 /nfs/dbraw/zinc/29/62/51/146296251.db2.gz SYGLYCBLBVYDNP-YJBOKZPZSA-N 2 1 302.418 2.594 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC[NH2+]C1 ZINC000261890456 146296252 /nfs/dbraw/zinc/29/62/52/146296252.db2.gz SYGLYCBLBVYDNP-YJBOKZPZSA-N 2 1 302.418 2.594 20 0 DFADMP O=C(c1cc(F)ccc1F)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261948639 146308344 /nfs/dbraw/zinc/30/83/44/146308344.db2.gz NPYOLLZVZFFWPY-ZDUSSCGKSA-N 2 1 322.399 2.859 20 0 DFADMP CC[C@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261954899 146308441 /nfs/dbraw/zinc/30/84/41/146308441.db2.gz OLOLVOMQUFAIRX-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261952233 146309124 /nfs/dbraw/zinc/30/91/24/146309124.db2.gz OMGRSSCKCSJROX-BNEJOLLZSA-N 2 1 306.425 2.676 20 0 DFADMP COc1ccc(C[N@@H+](CC2CC2)C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000261959795 146310061 /nfs/dbraw/zinc/31/00/61/146310061.db2.gz PCKAPSNUCZHCCB-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP c1ccc(C2CC([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000261964581 146311381 /nfs/dbraw/zinc/31/13/81/146311381.db2.gz PZEWVEVBJBGODS-CPLYBDICSA-N 2 1 300.446 2.679 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000261997242 146319414 /nfs/dbraw/zinc/31/94/14/146319414.db2.gz OBNADEMQOCEDMY-UHFFFAOYSA-N 2 1 312.461 2.753 20 0 DFADMP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262073030 146330854 /nfs/dbraw/zinc/33/08/54/146330854.db2.gz CUNPOXCDTVVTIU-MJGOQNOKSA-N 2 1 318.461 2.818 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262120512 146335346 /nfs/dbraw/zinc/33/53/46/146335346.db2.gz MBDQVWCGKYLDHO-KVSKMBFKSA-N 2 1 318.461 2.804 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)cs1 ZINC000262115732 146336143 /nfs/dbraw/zinc/33/61/43/146336143.db2.gz WWJZXXOCACMPBO-UHFFFAOYSA-N 2 1 302.447 2.714 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262170090 146339846 /nfs/dbraw/zinc/33/98/46/146339846.db2.gz VAFNBIWCDCLYRQ-LPHOPBHVSA-N 2 1 318.461 2.805 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262458964 146362358 /nfs/dbraw/zinc/36/23/58/146362358.db2.gz IKWROASKIUVHAX-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262458964 146362361 /nfs/dbraw/zinc/36/23/61/146362361.db2.gz IKWROASKIUVHAX-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262560879 146371447 /nfs/dbraw/zinc/37/14/47/146371447.db2.gz VLLFYPTWBQUWIB-JCGIZDLHSA-N 2 1 304.434 2.523 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]12 ZINC000262555234 146371678 /nfs/dbraw/zinc/37/16/78/146371678.db2.gz UAQPSZSYTCXORI-VBNZEHGJSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@H]12 ZINC000262555234 146371680 /nfs/dbraw/zinc/37/16/80/146371680.db2.gz UAQPSZSYTCXORI-VBNZEHGJSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]12 ZINC000262555231 146371982 /nfs/dbraw/zinc/37/19/82/146371982.db2.gz UAQPSZSYTCXORI-APHBMKBZSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4cccc(F)c4)n3)C[C@@H]12 ZINC000262555231 146371984 /nfs/dbraw/zinc/37/19/84/146371984.db2.gz UAQPSZSYTCXORI-APHBMKBZSA-N 2 1 301.365 2.650 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000459515650 543393742 /nfs/dbraw/zinc/39/37/42/543393742.db2.gz PMLXFCNFKJVCDT-OAHLLOKOSA-N 2 1 305.447 2.518 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354490532 147056064 /nfs/dbraw/zinc/05/60/64/147056064.db2.gz HAYODNGPXUJFAF-CYBMUJFWSA-N 2 1 323.868 2.941 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000354533408 147070631 /nfs/dbraw/zinc/07/06/31/147070631.db2.gz COOBCLWNUYLOEB-BZSNNMDCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000354533408 147070634 /nfs/dbraw/zinc/07/06/34/147070634.db2.gz COOBCLWNUYLOEB-BZSNNMDCSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc(C)c2)C[C@@H]1C ZINC000354533408 147070635 /nfs/dbraw/zinc/07/06/35/147070635.db2.gz COOBCLWNUYLOEB-BZSNNMDCSA-N 2 1 320.477 2.539 20 0 DFADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000354558830 147078458 /nfs/dbraw/zinc/07/84/58/147078458.db2.gz AOCYXAUAYBQBJM-ROUUACIJSA-N 2 1 324.509 2.816 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)CC(C)C ZINC000354821697 147163376 /nfs/dbraw/zinc/16/33/76/147163376.db2.gz OBPNSZKUQBQURG-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP CCCN(CC[NH+](C)C)C(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000355227295 147229870 /nfs/dbraw/zinc/22/98/70/147229870.db2.gz LTBWDHOPKZLFHO-SFHVURJKSA-N 2 1 319.493 2.697 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CC[C@@H](C)O3)C1)CCCC2 ZINC000355277347 147249317 /nfs/dbraw/zinc/24/93/17/147249317.db2.gz OEAABRYFYNVDDP-FVQBIDKESA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CC[C@@H](C)O3)C1)CCCC2 ZINC000355277347 147249321 /nfs/dbraw/zinc/24/93/21/147249321.db2.gz OEAABRYFYNVDDP-FVQBIDKESA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(N(C)CC[NH+](C(C)C)C(C)C)n1 ZINC000355577656 147370744 /nfs/dbraw/zinc/37/07/44/147370744.db2.gz AKVKBDFGXRWZMR-UHFFFAOYSA-N 2 1 316.453 2.526 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000350200924 286018665 /nfs/dbraw/zinc/01/86/65/286018665.db2.gz CVTHLWYGFZSSSZ-GOSISDBHSA-N 2 1 324.440 2.637 20 0 DFADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000358000078 148205554 /nfs/dbraw/zinc/20/55/54/148205554.db2.gz BISRTLHJTKARRB-QAPCUYQASA-N 2 1 317.477 2.646 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358002962 148206503 /nfs/dbraw/zinc/20/65/03/148206503.db2.gz HZLOETWZCIEOSZ-ZHALLVOQSA-N 2 1 312.461 2.772 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358002962 148206505 /nfs/dbraw/zinc/20/65/05/148206505.db2.gz HZLOETWZCIEOSZ-ZHALLVOQSA-N 2 1 312.461 2.772 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)[C@@H](C)C1 ZINC000358016754 148214400 /nfs/dbraw/zinc/21/44/00/148214400.db2.gz HLDHBOYJRWONFG-FUHWJXTLSA-N 2 1 312.498 2.672 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358103364 148244402 /nfs/dbraw/zinc/24/44/02/148244402.db2.gz KJWOVWUXCKOLKC-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358103364 148244407 /nfs/dbraw/zinc/24/44/07/148244407.db2.gz KJWOVWUXCKOLKC-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358103364 148244413 /nfs/dbraw/zinc/24/44/13/148244413.db2.gz KJWOVWUXCKOLKC-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[N@H+]1C ZINC000358104808 148246347 /nfs/dbraw/zinc/24/63/47/148246347.db2.gz YYIKXNQIFMTOQE-SUMDDJOVSA-N 2 1 318.461 2.817 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358140369 148257740 /nfs/dbraw/zinc/25/77/40/148257740.db2.gz MWBVWRVUDYHBHM-NVXWUHKLSA-N 2 1 313.445 2.934 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000350262374 286022656 /nfs/dbraw/zinc/02/26/56/286022656.db2.gz YWYVJOJAIWNAOA-OAHLLOKOSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000350262374 286022658 /nfs/dbraw/zinc/02/26/58/286022658.db2.gz YWYVJOJAIWNAOA-OAHLLOKOSA-N 2 1 311.857 2.668 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358214266 148287576 /nfs/dbraw/zinc/28/75/76/148287576.db2.gz BLKCATVLLWAODY-RVKKMQEKSA-N 2 1 317.477 2.645 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358214266 148287579 /nfs/dbraw/zinc/28/75/79/148287579.db2.gz BLKCATVLLWAODY-RVKKMQEKSA-N 2 1 317.477 2.645 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358214267 148288225 /nfs/dbraw/zinc/28/82/25/148288225.db2.gz BLKCATVLLWAODY-VKJFTORMSA-N 2 1 317.477 2.645 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358214267 148288229 /nfs/dbraw/zinc/28/82/29/148288229.db2.gz BLKCATVLLWAODY-VKJFTORMSA-N 2 1 317.477 2.645 20 0 DFADMP c1c(C[NH2+][C@@H](c2cccnc2)C2CC2)onc1C1CC[NH2+]CC1 ZINC000425898288 296603422 /nfs/dbraw/zinc/60/34/22/296603422.db2.gz YORWRMZMGKYUHL-GOSISDBHSA-N 2 1 312.417 2.778 20 0 DFADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358255934 148305330 /nfs/dbraw/zinc/30/53/30/148305330.db2.gz RBUBRDWGFXOTDL-RHSMWYFYSA-N 2 1 308.491 2.904 20 0 DFADMP CC(C)Sc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358255934 148305334 /nfs/dbraw/zinc/30/53/34/148305334.db2.gz RBUBRDWGFXOTDL-RHSMWYFYSA-N 2 1 308.491 2.904 20 0 DFADMP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358253911 148305910 /nfs/dbraw/zinc/30/59/10/148305910.db2.gz PHARZMGGNYVNOD-FOWXUBEESA-N 2 1 306.494 2.638 20 0 DFADMP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358253911 148305913 /nfs/dbraw/zinc/30/59/13/148305913.db2.gz PHARZMGGNYVNOD-FOWXUBEESA-N 2 1 306.494 2.638 20 0 DFADMP C[C@@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000358265312 148311072 /nfs/dbraw/zinc/31/10/72/148311072.db2.gz ZNNFWIAYOVJXLC-YMTOWFKASA-N 2 1 321.223 2.850 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1 ZINC000358309805 148324039 /nfs/dbraw/zinc/32/40/39/148324039.db2.gz XQMFQWHYOLJPAO-QLEMLULZSA-N 2 1 319.474 2.988 20 0 DFADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC2CCC2)n1 ZINC000358347559 148337062 /nfs/dbraw/zinc/33/70/62/148337062.db2.gz BWRIAZCLBXJJRN-CVEARBPZSA-N 2 1 301.434 2.729 20 0 DFADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC2CCC2)n1 ZINC000358347559 148337071 /nfs/dbraw/zinc/33/70/71/148337071.db2.gz BWRIAZCLBXJJRN-CVEARBPZSA-N 2 1 301.434 2.729 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358366945 148343123 /nfs/dbraw/zinc/34/31/23/148343123.db2.gz LJNCNAURCIFYFW-SJORKVTESA-N 2 1 318.461 2.853 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358502484 148380471 /nfs/dbraw/zinc/38/04/71/148380471.db2.gz BZBTYDBMPGGOMK-UHFFFAOYSA-N 2 1 321.852 2.662 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1Cl ZINC000358521858 148381873 /nfs/dbraw/zinc/38/18/73/148381873.db2.gz YUYMWBHDTXMRBA-UHFFFAOYSA-N 2 1 321.852 2.662 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](CC)CC ZINC000358569318 148388245 /nfs/dbraw/zinc/38/82/45/148388245.db2.gz VPGZMJBGSUNYDA-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@]2(O)CCCOC2)CC1 ZINC000660006764 543524418 /nfs/dbraw/zinc/52/44/18/543524418.db2.gz UGGKCUXQUBJNSC-IEBWSBKVSA-N 2 1 324.509 2.504 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000361205543 149054202 /nfs/dbraw/zinc/05/42/02/149054202.db2.gz ITWYWCXGVOTBCC-GASCZTMLSA-N 2 1 303.450 2.868 20 0 DFADMP CSC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000361240717 149063256 /nfs/dbraw/zinc/06/32/56/149063256.db2.gz QNRWSIHZMYYKSZ-QLFBSQMISA-N 2 1 300.512 2.607 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000361259984 149069423 /nfs/dbraw/zinc/06/94/23/149069423.db2.gz FFFXGPIHMJWJTH-RISCZKNCSA-N 2 1 318.396 2.602 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@@H]1c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000361259982 149069493 /nfs/dbraw/zinc/06/94/93/149069493.db2.gz FFFXGPIHMJWJTH-FZMZJTMJSA-N 2 1 318.396 2.602 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCOC1 ZINC000361398393 149105035 /nfs/dbraw/zinc/10/50/35/149105035.db2.gz SZSGDEUAGUIOEZ-BHIYHBOVSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000361435398 149115382 /nfs/dbraw/zinc/11/53/82/149115382.db2.gz LNABFJPLRMGAIG-KBMXLJTQSA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000361435398 149115386 /nfs/dbraw/zinc/11/53/86/149115386.db2.gz LNABFJPLRMGAIG-KBMXLJTQSA-N 2 1 312.404 2.645 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CCOCC2)[C@H](C)C1 ZINC000361482886 149127404 /nfs/dbraw/zinc/12/74/04/149127404.db2.gz BOGIFNMWQSUXGW-AEFFLSMTSA-N 2 1 312.498 2.530 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000361488382 149128511 /nfs/dbraw/zinc/12/85/11/149128511.db2.gz ZICHJMLRTZYBNL-HFTRVMKXSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000361488382 149128513 /nfs/dbraw/zinc/12/85/13/149128513.db2.gz ZICHJMLRTZYBNL-HFTRVMKXSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765720 149212522 /nfs/dbraw/zinc/21/25/22/149212522.db2.gz PYLNDERVCZWBNA-SOLBZPMBSA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765720 149212524 /nfs/dbraw/zinc/21/25/24/149212524.db2.gz PYLNDERVCZWBNA-SOLBZPMBSA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770600 149215634 /nfs/dbraw/zinc/21/56/34/149215634.db2.gz VWNUDRUDCJZUNU-RYRKJORJSA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770600 149215637 /nfs/dbraw/zinc/21/56/37/149215637.db2.gz VWNUDRUDCJZUNU-RYRKJORJSA-N 3 1 319.493 2.760 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(C)C)[C@H](C)C1 ZINC000361928919 149257957 /nfs/dbraw/zinc/25/79/57/149257957.db2.gz XRKCPFWHNOAWFM-YYIAUSFCSA-N 2 1 312.498 2.527 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2SC)[C@H](C)C1 ZINC000361937497 149259966 /nfs/dbraw/zinc/25/99/66/149259966.db2.gz IUBDHZNIFPFROL-QKPAOTATSA-N 2 1 300.512 2.607 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@H]1Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000362008975 149275258 /nfs/dbraw/zinc/27/52/58/149275258.db2.gz IVTIQFGOLURLJB-JKSUJKDBSA-N 2 1 320.481 2.728 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000362012406 149275814 /nfs/dbraw/zinc/27/58/14/149275814.db2.gz GYSOQPAECOEYPX-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000362012406 149275817 /nfs/dbraw/zinc/27/58/17/149275817.db2.gz GYSOQPAECOEYPX-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP Cc1cc[nH+]c(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000362667081 149337822 /nfs/dbraw/zinc/33/78/22/149337822.db2.gz QYVWOEYRGKQQKS-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cc[nH+]c(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000362667081 149337824 /nfs/dbraw/zinc/33/78/24/149337824.db2.gz QYVWOEYRGKQQKS-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cccc(N(C)C[C@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)[nH+]1 ZINC000362682670 149341895 /nfs/dbraw/zinc/34/18/95/149341895.db2.gz FLJQKROVXUSEEO-QAPCUYQASA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cccc(N(C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)[nH+]1 ZINC000362682670 149341898 /nfs/dbraw/zinc/34/18/98/149341898.db2.gz FLJQKROVXUSEEO-QAPCUYQASA-N 2 1 313.449 2.643 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]12 ZINC000351472615 286129028 /nfs/dbraw/zinc/12/90/28/286129028.db2.gz BERNSEDTYUPQIG-LSTHTHJFSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@@H]12 ZINC000351475504 286129397 /nfs/dbraw/zinc/12/93/97/286129397.db2.gz IMTRRZKGHNROAB-MRVWCRGKSA-N 2 1 314.351 2.797 20 0 DFADMP Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)CN(C)C2CC2)c1 ZINC000351442524 286126565 /nfs/dbraw/zinc/12/65/65/286126565.db2.gz LCFHMVVHDZKXMD-IBGZPJMESA-N 2 1 304.478 2.908 20 0 DFADMP Cc1cccc(C[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000351442524 286126568 /nfs/dbraw/zinc/12/65/68/286126568.db2.gz LCFHMVVHDZKXMD-IBGZPJMESA-N 2 1 304.478 2.908 20 0 DFADMP Cc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000351442524 286126569 /nfs/dbraw/zinc/12/65/69/286126569.db2.gz LCFHMVVHDZKXMD-IBGZPJMESA-N 2 1 304.478 2.908 20 0 DFADMP Cc1cccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000351442524 286126572 /nfs/dbraw/zinc/12/65/72/286126572.db2.gz LCFHMVVHDZKXMD-IBGZPJMESA-N 2 1 304.478 2.908 20 0 DFADMP Cc1cccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000351442524 286126573 /nfs/dbraw/zinc/12/65/73/286126573.db2.gz LCFHMVVHDZKXMD-IBGZPJMESA-N 2 1 304.478 2.908 20 0 DFADMP CCCn1nccc1C1CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000369214557 149754050 /nfs/dbraw/zinc/75/40/50/149754050.db2.gz KPZNGSLRMSEGRP-UHFFFAOYSA-N 2 1 304.482 2.958 20 0 DFADMP C[C@@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351536703 286146613 /nfs/dbraw/zinc/14/66/13/286146613.db2.gz QYYNZWDVIWIRMB-HNNXBMFYSA-N 2 1 313.449 2.602 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000371205370 150001934 /nfs/dbraw/zinc/00/19/34/150001934.db2.gz RDTIGKQJTASABD-KRWDZBQOSA-N 2 1 313.449 2.719 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000371205370 150001936 /nfs/dbraw/zinc/00/19/36/150001936.db2.gz RDTIGKQJTASABD-KRWDZBQOSA-N 2 1 313.449 2.719 20 0 DFADMP Cc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295589 150017919 /nfs/dbraw/zinc/01/79/19/150017919.db2.gz SRRJBLBZCWWKMD-GBESFXJTSA-N 2 1 302.462 2.721 20 0 DFADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3CC4CCC3CC4)c2cc1C ZINC000371391164 150037255 /nfs/dbraw/zinc/03/72/55/150037255.db2.gz ARMDBMGEHCCQRP-OFLPRAFFSA-N 2 1 313.445 2.888 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371402791 150040930 /nfs/dbraw/zinc/04/09/30/150040930.db2.gz BQMWAMKGOBUAKB-BHIYHBOVSA-N 2 1 322.456 2.993 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371402791 150040932 /nfs/dbraw/zinc/04/09/32/150040932.db2.gz BQMWAMKGOBUAKB-BHIYHBOVSA-N 2 1 322.456 2.993 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000371402791 150040934 /nfs/dbraw/zinc/04/09/34/150040934.db2.gz BQMWAMKGOBUAKB-BHIYHBOVSA-N 2 1 322.456 2.993 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425904 150045197 /nfs/dbraw/zinc/04/51/97/150045197.db2.gz VHWDRUTVIQPGJK-KXBFYZLASA-N 2 1 319.468 2.987 20 0 DFADMP COC(=O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000371547432 150064571 /nfs/dbraw/zinc/06/45/71/150064571.db2.gz UBBOZLQAVOIGJX-GFCCVEGCSA-N 2 1 319.380 2.924 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000371879689 150109106 /nfs/dbraw/zinc/10/91/06/150109106.db2.gz JYQFKQQGLIZVAK-IAGOWNOFSA-N 2 1 315.461 2.870 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372047994 150129262 /nfs/dbraw/zinc/12/92/62/150129262.db2.gz WGLSTDNYGRUNSL-BRSBDYLESA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000372047994 150129267 /nfs/dbraw/zinc/12/92/67/150129267.db2.gz WGLSTDNYGRUNSL-BRSBDYLESA-N 2 1 312.498 2.671 20 0 DFADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000372058079 150131072 /nfs/dbraw/zinc/13/10/72/150131072.db2.gz NFRZKYGDMGVXAZ-KRWDZBQOSA-N 2 1 323.431 2.836 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000372058079 150131074 /nfs/dbraw/zinc/13/10/74/150131074.db2.gz NFRZKYGDMGVXAZ-KRWDZBQOSA-N 2 1 323.431 2.836 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000372097819 150137056 /nfs/dbraw/zinc/13/70/56/150137056.db2.gz CYEBOEJKDQHZOK-DZGCQCFKSA-N 2 1 321.490 2.519 20 0 DFADMP Cc1cnn(CC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000351598059 286164669 /nfs/dbraw/zinc/16/46/69/286164669.db2.gz MZGGHCTZCTUOMA-GOSISDBHSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000372308498 150162339 /nfs/dbraw/zinc/16/23/39/150162339.db2.gz RGFIZLCNAQJNHZ-AWEZNQCLSA-N 2 1 301.438 2.556 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000351599263 286165061 /nfs/dbraw/zinc/16/50/61/286165061.db2.gz WISHUMDULWFQOW-IAGOWNOFSA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000351599263 286165062 /nfs/dbraw/zinc/16/50/62/286165062.db2.gz WISHUMDULWFQOW-IAGOWNOFSA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000351599263 286165063 /nfs/dbraw/zinc/16/50/63/286165063.db2.gz WISHUMDULWFQOW-IAGOWNOFSA-N 2 1 323.525 2.735 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1)C1CC1 ZINC000351610207 286168776 /nfs/dbraw/zinc/16/87/76/286168776.db2.gz NOGWVUNEYKBNQE-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1)C1CC1 ZINC000351610207 286168779 /nfs/dbraw/zinc/16/87/79/286168779.db2.gz NOGWVUNEYKBNQE-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1)C1CC1 ZINC000351610207 286168780 /nfs/dbraw/zinc/16/87/80/286168780.db2.gz NOGWVUNEYKBNQE-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1)C1CC1 ZINC000351610207 286168782 /nfs/dbraw/zinc/16/87/82/286168782.db2.gz NOGWVUNEYKBNQE-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP CC1(C)Cc2cc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)ccc2O1 ZINC000373063863 150225022 /nfs/dbraw/zinc/22/50/22/150225022.db2.gz QWYNCZCVENBZEQ-HNNXBMFYSA-N 2 1 311.429 2.949 20 0 DFADMP FC(F)(F)c1ncc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000373064602 150225316 /nfs/dbraw/zinc/22/53/16/150225316.db2.gz XQPFOROOJVNJHP-SECBINFHSA-N 2 1 316.352 2.711 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000373114804 150232736 /nfs/dbraw/zinc/23/27/36/150232736.db2.gz DODTWMOJPNMLPG-FUHWJXTLSA-N 2 1 319.449 2.667 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000373114804 150232737 /nfs/dbraw/zinc/23/27/37/150232737.db2.gz DODTWMOJPNMLPG-FUHWJXTLSA-N 2 1 319.449 2.667 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000373183214 150243093 /nfs/dbraw/zinc/24/30/93/150243093.db2.gz OUKGZSFBHZQROD-FUHWJXTLSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000373183214 150243095 /nfs/dbraw/zinc/24/30/95/150243095.db2.gz OUKGZSFBHZQROD-FUHWJXTLSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000373183214 150243097 /nfs/dbraw/zinc/24/30/97/150243097.db2.gz OUKGZSFBHZQROD-FUHWJXTLSA-N 2 1 310.482 2.772 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)nc1 ZINC000373224305 150251274 /nfs/dbraw/zinc/25/12/74/150251274.db2.gz SAALTLQIIWGVLD-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]CCSCc1ccccc1)CC2 ZINC000374049142 150297595 /nfs/dbraw/zinc/29/75/95/150297595.db2.gz GNUDAKVVKAZTOL-MRXNPFEDSA-N 2 1 301.459 2.969 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000374050681 150299121 /nfs/dbraw/zinc/29/91/21/150299121.db2.gz OKRDDSLCSMASSC-WMZOPIPTSA-N 2 1 317.408 2.837 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1ccc(F)cc1C ZINC000374050681 150299124 /nfs/dbraw/zinc/29/91/24/150299124.db2.gz OKRDDSLCSMASSC-WMZOPIPTSA-N 2 1 317.408 2.837 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000374050679 150299240 /nfs/dbraw/zinc/29/92/40/150299240.db2.gz OKRDDSLCSMASSC-SJLPKXTDSA-N 2 1 317.408 2.837 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000374050679 150299243 /nfs/dbraw/zinc/29/92/43/150299243.db2.gz OKRDDSLCSMASSC-SJLPKXTDSA-N 2 1 317.408 2.837 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C2CC(c3ccccc3F)C2)CC1(C)C ZINC000374230224 150326681 /nfs/dbraw/zinc/32/66/81/150326681.db2.gz NHIQOACQLZMPAO-UHFFFAOYSA-N 2 1 319.468 2.687 20 0 DFADMP C[N@@H+](CCNC(=O)CC[C@@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000351636591 286177318 /nfs/dbraw/zinc/17/73/18/286177318.db2.gz PMRLEIVSHNWONP-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000351636591 286177321 /nfs/dbraw/zinc/17/73/21/286177321.db2.gz PMRLEIVSHNWONP-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCNC(=O)CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000351636591 286177323 /nfs/dbraw/zinc/17/73/23/286177323.db2.gz PMRLEIVSHNWONP-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP CC(C)[C@@H](C)NC(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351641082 286178809 /nfs/dbraw/zinc/17/88/09/286178809.db2.gz YPCSEVJEQPYZMX-SJLPKXTDSA-N 2 1 323.525 2.734 20 0 DFADMP COCC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000375839310 150478563 /nfs/dbraw/zinc/47/85/63/150478563.db2.gz IAOFNYSSUQBNCB-JKSUJKDBSA-N 2 1 303.381 2.704 20 0 DFADMP c1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)n[nH]1 ZINC000378349350 150794586 /nfs/dbraw/zinc/79/45/86/150794586.db2.gz JOFMKDHEQBVVBA-AWEZNQCLSA-N 2 1 300.406 2.587 20 0 DFADMP c1cc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)o2)n[nH]1 ZINC000378349350 150794588 /nfs/dbraw/zinc/79/45/88/150794588.db2.gz JOFMKDHEQBVVBA-AWEZNQCLSA-N 2 1 300.406 2.587 20 0 DFADMP C[N@H+]1CC[C@H](NCC[C@H]2CCCC[NH+]2C)[C@H]1c1ccccc1 ZINC000352099172 286291300 /nfs/dbraw/zinc/29/13/00/286291300.db2.gz FFPKZYGSSVJAKK-CEXWTWQISA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CC[C@H](NCC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccccc1 ZINC000352099172 286291301 /nfs/dbraw/zinc/29/13/01/286291301.db2.gz FFPKZYGSSVJAKK-CEXWTWQISA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CC[C@H](NCC[C@H]2CCCC[N@H+]2C)[C@H]1c1ccccc1 ZINC000352099172 286291302 /nfs/dbraw/zinc/29/13/02/286291302.db2.gz FFPKZYGSSVJAKK-CEXWTWQISA-N 2 1 301.478 2.896 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000352173314 286311982 /nfs/dbraw/zinc/31/19/82/286311982.db2.gz ZVXCNPPWVUXLIG-IRXDYDNUSA-N 2 1 311.514 2.781 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCCNCc1ncc(C[NH+](C)C)s1 ZINC000352232819 286324705 /nfs/dbraw/zinc/32/47/05/286324705.db2.gz WJQHZJVQHVEDBY-CQSZACIVSA-N 2 1 310.511 2.559 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNCc1ncc(C[NH+](C)C)s1 ZINC000352232819 286324706 /nfs/dbraw/zinc/32/47/06/286324706.db2.gz WJQHZJVQHVEDBY-CQSZACIVSA-N 2 1 310.511 2.559 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000352495174 286388140 /nfs/dbraw/zinc/38/81/40/286388140.db2.gz JERZOFYDIZGIHN-PKOBYXMFSA-N 2 1 318.461 2.948 20 0 DFADMP CCOCc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OC ZINC000352526037 286398301 /nfs/dbraw/zinc/39/83/01/286398301.db2.gz JPEZRZMHIYLXCX-KRWDZBQOSA-N 2 1 306.450 2.935 20 0 DFADMP CC(C)c1cc(N2CCC[C@H]([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000428681133 296711552 /nfs/dbraw/zinc/71/15/52/296711552.db2.gz FHMLLTXEDGIYOL-AWEZNQCLSA-N 2 1 305.470 2.587 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000245951703 158082301 /nfs/dbraw/zinc/08/23/01/158082301.db2.gz ZBWFAKHPTVXPRM-QAPCUYQASA-N 2 1 305.441 2.599 20 0 DFADMP CCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245951502 158082494 /nfs/dbraw/zinc/08/24/94/158082494.db2.gz BDNWULBNMGSZNC-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246436612 158091581 /nfs/dbraw/zinc/09/15/81/158091581.db2.gz OFWMLPAHEWCJLQ-TXPKVOOTSA-N 2 1 320.477 2.920 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000246463503 158092964 /nfs/dbraw/zinc/09/29/64/158092964.db2.gz QBCKWRQHVAFOMT-UONOGXRCSA-N 2 1 307.507 2.884 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246801406 158099311 /nfs/dbraw/zinc/09/93/11/158099311.db2.gz ABXBKXZKZANJHK-SJORKVTESA-N 3 1 319.493 2.619 20 0 DFADMP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246801406 158099313 /nfs/dbraw/zinc/09/93/13/158099313.db2.gz ABXBKXZKZANJHK-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@@H](CN[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246801406 158099316 /nfs/dbraw/zinc/09/93/16/158099316.db2.gz ABXBKXZKZANJHK-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP C[C@](O)(C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000246880616 158103176 /nfs/dbraw/zinc/10/31/76/158103176.db2.gz QLKMOZRRWDZCJN-DBVUQKKJSA-N 2 1 314.473 2.843 20 0 DFADMP C[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000246880616 158103177 /nfs/dbraw/zinc/10/31/77/158103177.db2.gz QLKMOZRRWDZCJN-DBVUQKKJSA-N 2 1 314.473 2.843 20 0 DFADMP C[C@](O)(C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000246880616 158103179 /nfs/dbraw/zinc/10/31/79/158103179.db2.gz QLKMOZRRWDZCJN-DBVUQKKJSA-N 2 1 314.473 2.843 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000246920709 158105668 /nfs/dbraw/zinc/10/56/68/158105668.db2.gz GBOUKCCCKFIMDE-JFIYKMOQSA-N 2 1 320.477 2.839 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000246920709 158105669 /nfs/dbraw/zinc/10/56/69/158105669.db2.gz GBOUKCCCKFIMDE-JFIYKMOQSA-N 2 1 320.477 2.839 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC000246936847 158107208 /nfs/dbraw/zinc/10/72/08/158107208.db2.gz HKJAGIGKZUXYTG-YESZJQIVSA-N 2 1 307.482 2.982 20 0 DFADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246994126 158113028 /nfs/dbraw/zinc/11/30/28/158113028.db2.gz WOQIXICFMISRIV-YSIASYRMSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000246994126 158113030 /nfs/dbraw/zinc/11/30/30/158113030.db2.gz WOQIXICFMISRIV-YSIASYRMSA-N 2 1 314.473 2.977 20 0 DFADMP Cc1ccc([C@H](O)C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000246994126 158113032 /nfs/dbraw/zinc/11/30/32/158113032.db2.gz WOQIXICFMISRIV-YSIASYRMSA-N 2 1 314.473 2.977 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000247044994 158116912 /nfs/dbraw/zinc/11/69/12/158116912.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000247044994 158116916 /nfs/dbraw/zinc/11/69/16/158116916.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000247044994 158116920 /nfs/dbraw/zinc/11/69/20/158116920.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000247044994 158116922 /nfs/dbraw/zinc/11/69/22/158116922.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000247044994 158116926 /nfs/dbraw/zinc/11/69/26/158116926.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000247044994 158116928 /nfs/dbraw/zinc/11/69/28/158116928.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000247044994 158116930 /nfs/dbraw/zinc/11/69/30/158116930.db2.gz OMKJHVPGSQIKQY-RLLQIKCJSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247054170 158117007 /nfs/dbraw/zinc/11/70/07/158117007.db2.gz FMJBQZMTUNBRIB-LSDHHAIUSA-N 2 1 308.441 2.911 20 0 DFADMP CCN(C(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000247991345 158156575 /nfs/dbraw/zinc/15/65/75/158156575.db2.gz JLDUILXEPLZZJI-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000247991345 158156577 /nfs/dbraw/zinc/15/65/77/158156577.db2.gz JLDUILXEPLZZJI-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000247991345 158156578 /nfs/dbraw/zinc/15/65/78/158156578.db2.gz JLDUILXEPLZZJI-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000247991345 158156580 /nfs/dbraw/zinc/15/65/80/158156580.db2.gz JLDUILXEPLZZJI-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000247991345 158156582 /nfs/dbraw/zinc/15/65/82/158156582.db2.gz JLDUILXEPLZZJI-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248005324 158157649 /nfs/dbraw/zinc/15/76/49/158157649.db2.gz KTBNAJJIGHLJBX-ZFWWWQNUSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248005324 158157651 /nfs/dbraw/zinc/15/76/51/158157651.db2.gz KTBNAJJIGHLJBX-ZFWWWQNUSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248005324 158157652 /nfs/dbraw/zinc/15/76/52/158157652.db2.gz KTBNAJJIGHLJBX-ZFWWWQNUSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248005324 158157654 /nfs/dbraw/zinc/15/76/54/158157654.db2.gz KTBNAJJIGHLJBX-ZFWWWQNUSA-N 2 1 320.433 2.545 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000248049296 158158343 /nfs/dbraw/zinc/15/83/43/158158343.db2.gz VXGSPSDEMASYNZ-HYVNUMGLSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000248049296 158158345 /nfs/dbraw/zinc/15/83/45/158158345.db2.gz VXGSPSDEMASYNZ-HYVNUMGLSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000248049296 158158347 /nfs/dbraw/zinc/15/83/47/158158347.db2.gz VXGSPSDEMASYNZ-HYVNUMGLSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000248049296 158158349 /nfs/dbraw/zinc/15/83/49/158158349.db2.gz VXGSPSDEMASYNZ-HYVNUMGLSA-N 2 1 308.853 2.790 20 0 DFADMP CC(C)[N@H+]1C[C@H](C)[C@H](N[C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000248040097 158158808 /nfs/dbraw/zinc/15/88/08/158158808.db2.gz SOIMMZWBJUBDSD-RLFYNMQTSA-N 2 1 313.449 2.647 20 0 DFADMP CC(C)C[N@H+]1CCO[C@@H](CN[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000248035777 158159157 /nfs/dbraw/zinc/15/91/57/158159157.db2.gz RPIXXZOJTIDYQR-DYVFJYSZSA-N 2 1 312.404 2.972 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248133653 158161392 /nfs/dbraw/zinc/16/13/92/158161392.db2.gz OUPWMACZPLCEOV-ROUUACIJSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248133653 158161394 /nfs/dbraw/zinc/16/13/94/158161394.db2.gz OUPWMACZPLCEOV-ROUUACIJSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248133653 158161396 /nfs/dbraw/zinc/16/13/96/158161396.db2.gz OUPWMACZPLCEOV-ROUUACIJSA-N 2 1 304.482 2.778 20 0 DFADMP CC[C@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248402449 158172334 /nfs/dbraw/zinc/17/23/34/158172334.db2.gz VFBKRZQERDOOLA-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248396485 158172481 /nfs/dbraw/zinc/17/24/81/158172481.db2.gz HCZLPAZYDSNBDM-SLFFLAALSA-N 2 1 324.472 2.773 20 0 DFADMP COC(=O)c1ccc(F)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000248406575 158173553 /nfs/dbraw/zinc/17/35/53/158173553.db2.gz SOCMOOVJXHHOAI-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP COCC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248418652 158174646 /nfs/dbraw/zinc/17/46/46/158174646.db2.gz TWIBGGAABZRWFV-GDAAHCPNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000248742919 158199369 /nfs/dbraw/zinc/19/93/69/158199369.db2.gz ALQSMHUSKAKZTP-BVXMROAISA-N 2 1 306.425 2.853 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248826366 158203088 /nfs/dbraw/zinc/20/30/88/158203088.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248826366 158203090 /nfs/dbraw/zinc/20/30/90/158203090.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248826366 158203091 /nfs/dbraw/zinc/20/30/91/158203091.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248826366 158203093 /nfs/dbraw/zinc/20/30/93/158203093.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248826366 158203094 /nfs/dbraw/zinc/20/30/94/158203094.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248826366 158203097 /nfs/dbraw/zinc/20/30/97/158203097.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248826366 158203098 /nfs/dbraw/zinc/20/30/98/158203098.db2.gz CZNOMDNXQHVUSZ-HNBVOPMISA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000355053866 158261926 /nfs/dbraw/zinc/26/19/26/158261926.db2.gz IMMCMVREIBFNQJ-QFBILLFUSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000355053866 158261928 /nfs/dbraw/zinc/26/19/28/158261928.db2.gz IMMCMVREIBFNQJ-QFBILLFUSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCSCC1 ZINC000355131537 158280854 /nfs/dbraw/zinc/28/08/54/158280854.db2.gz ZINZTMGUSYJFKN-CABCVRRESA-N 2 1 300.512 2.609 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCSCC1 ZINC000355131537 158280856 /nfs/dbraw/zinc/28/08/56/158280856.db2.gz ZINZTMGUSYJFKN-CABCVRRESA-N 2 1 300.512 2.609 20 0 DFADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000356641583 158304680 /nfs/dbraw/zinc/30/46/80/158304680.db2.gz ITAXFRNFZWZFER-MSOLQXFVSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000357040783 158354740 /nfs/dbraw/zinc/35/47/40/158354740.db2.gz OVNAZHATKHMDJL-ILOCAZANSA-N 2 1 323.525 2.732 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357039871 158354763 /nfs/dbraw/zinc/35/47/63/158354763.db2.gz BAHLFVTXPHUSQH-KBPBESRZSA-N 2 1 314.351 2.669 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357039871 158354764 /nfs/dbraw/zinc/35/47/64/158354764.db2.gz BAHLFVTXPHUSQH-KBPBESRZSA-N 2 1 314.351 2.669 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358515597 158385235 /nfs/dbraw/zinc/38/52/35/158385235.db2.gz ZOBJCDMEUNZMCT-UHFFFAOYSA-N 2 1 319.424 2.538 20 0 DFADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000430571776 296796353 /nfs/dbraw/zinc/79/63/53/296796353.db2.gz MTUXRDCZDFZZFX-KRWDZBQOSA-N 2 1 302.422 2.632 20 0 DFADMP CO[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441341968 297180176 /nfs/dbraw/zinc/18/01/76/297180176.db2.gz QJOGINBCJSRJSX-VAMVTKTBSA-N 2 1 310.482 2.541 20 0 DFADMP CO[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441341968 297180177 /nfs/dbraw/zinc/18/01/77/297180177.db2.gz QJOGINBCJSRJSX-VAMVTKTBSA-N 2 1 310.482 2.541 20 0 DFADMP CO[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441341968 297180178 /nfs/dbraw/zinc/18/01/78/297180178.db2.gz QJOGINBCJSRJSX-VAMVTKTBSA-N 2 1 310.482 2.541 20 0 DFADMP CN(C)c1cc[nH+]c(N2CCC(CCC[NH+]3CCCC3)CC2)n1 ZINC000129691424 196068147 /nfs/dbraw/zinc/06/81/47/196068147.db2.gz LRQKMEQTYRJAAK-UHFFFAOYSA-N 2 1 317.481 2.635 20 0 DFADMP OC[C@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000131558293 196180612 /nfs/dbraw/zinc/18/06/12/196180612.db2.gz FAQXYFLLFFMLAV-NRFANRHFSA-N 2 1 324.468 2.844 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000131782586 196198270 /nfs/dbraw/zinc/19/82/70/196198270.db2.gz SAPYDSBSJNRROV-PKOBYXMFSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000131782586 196198272 /nfs/dbraw/zinc/19/82/72/196198272.db2.gz SAPYDSBSJNRROV-PKOBYXMFSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000131782586 196198273 /nfs/dbraw/zinc/19/82/73/196198273.db2.gz SAPYDSBSJNRROV-PKOBYXMFSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000131782586 196198275 /nfs/dbraw/zinc/19/82/75/196198275.db2.gz SAPYDSBSJNRROV-PKOBYXMFSA-N 2 1 312.461 2.868 20 0 DFADMP COc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1OC ZINC000131821570 196201746 /nfs/dbraw/zinc/20/17/46/196201746.db2.gz FMGUKPVQHRSVMX-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@H](C)C1 ZINC000132746594 196279774 /nfs/dbraw/zinc/27/97/74/196279774.db2.gz QLGZXKRCFKXCJD-APWZRJJASA-N 2 1 301.478 2.975 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000134412724 196388415 /nfs/dbraw/zinc/38/84/15/196388415.db2.gz RVHDBGANZOSGMV-RISCZKNCSA-N 2 1 310.825 2.541 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000134412724 196388417 /nfs/dbraw/zinc/38/84/17/196388417.db2.gz RVHDBGANZOSGMV-RISCZKNCSA-N 2 1 310.825 2.541 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)C2)nc(C)[nH+]1 ZINC000667839758 543689873 /nfs/dbraw/zinc/68/98/73/543689873.db2.gz BMJXSZSRJRXBBS-WCXIOVBPSA-N 2 1 300.450 2.840 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1C ZINC000667664097 543654324 /nfs/dbraw/zinc/65/43/24/543654324.db2.gz CITXGEUWXOQMAR-DOTOQJQBSA-N 2 1 313.449 2.572 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC[N@@H+]1C ZINC000667667485 543656228 /nfs/dbraw/zinc/65/62/28/543656228.db2.gz NVTMSYCYDHODGO-SZVBFZGTSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC[N@H+]1C ZINC000667667485 543656231 /nfs/dbraw/zinc/65/62/31/543656231.db2.gz NVTMSYCYDHODGO-SZVBFZGTSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC[NH+]1C ZINC000667667485 543656234 /nfs/dbraw/zinc/65/62/34/543656234.db2.gz NVTMSYCYDHODGO-SZVBFZGTSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC[NH+]1C ZINC000667667485 543656236 /nfs/dbraw/zinc/65/62/36/543656236.db2.gz NVTMSYCYDHODGO-SZVBFZGTSA-N 2 1 318.461 2.769 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000667784870 543678357 /nfs/dbraw/zinc/67/83/57/543678357.db2.gz KVMSADKKNORLDZ-UHFFFAOYSA-N 2 1 318.465 2.744 20 0 DFADMP C[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)CC1(O)CCCCCC1 ZINC000668012718 543723691 /nfs/dbraw/zinc/72/36/91/543723691.db2.gz ITHKWRGWCGLDMC-UHFFFAOYSA-N 2 1 314.433 2.784 20 0 DFADMP COCc1csc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000668016028 543724553 /nfs/dbraw/zinc/72/45/53/543724553.db2.gz QYEZLGZFVOEPEU-ZDUSSCGKSA-N 2 1 305.447 2.785 20 0 DFADMP COCc1csc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000668016028 543724554 /nfs/dbraw/zinc/72/45/54/543724554.db2.gz QYEZLGZFVOEPEU-ZDUSSCGKSA-N 2 1 305.447 2.785 20 0 DFADMP COCC1(C)CC[NH+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667950353 543708741 /nfs/dbraw/zinc/70/87/41/543708741.db2.gz BECXJZGWIIRSDA-UHFFFAOYSA-N 2 1 300.406 2.516 20 0 DFADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2cccc(Cl)c2)n1C ZINC000668159676 543754181 /nfs/dbraw/zinc/75/41/81/543754181.db2.gz BXAUVOGPRNZPSY-UHFFFAOYSA-N 2 1 320.868 2.946 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1c(C2CCC2)cnn1C ZINC000668166734 543757196 /nfs/dbraw/zinc/75/71/96/543757196.db2.gz GFHVJQWUHCETCI-UHFFFAOYSA-N 2 1 301.438 2.715 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1c(C2CCC2)cnn1C ZINC000668166734 543757197 /nfs/dbraw/zinc/75/71/97/543757197.db2.gz GFHVJQWUHCETCI-UHFFFAOYSA-N 2 1 301.438 2.715 20 0 DFADMP CC1=CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000668488602 543814223 /nfs/dbraw/zinc/81/42/23/543814223.db2.gz CWEAMHVBNSTGGX-MOPGFXCFSA-N 2 1 300.446 2.842 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000668539653 543820967 /nfs/dbraw/zinc/82/09/67/543820967.db2.gz GSIIWXMSSKIMII-UHFFFAOYSA-N 2 1 304.825 2.724 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668694113 543847308 /nfs/dbraw/zinc/84/73/08/543847308.db2.gz ZVBFTUCXPJGFKT-APWZRJJASA-N 2 1 302.462 2.708 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3ccncc3s2)CCO1 ZINC000668787704 543867370 /nfs/dbraw/zinc/86/73/70/543867370.db2.gz UTTHRPJSLJHFJV-OAHLLOKOSA-N 2 1 319.474 2.839 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3ccncc3s2)CCO1 ZINC000668787704 543867372 /nfs/dbraw/zinc/86/73/72/543867372.db2.gz UTTHRPJSLJHFJV-OAHLLOKOSA-N 2 1 319.474 2.839 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CCO1 ZINC000668785458 543867607 /nfs/dbraw/zinc/86/76/07/543867607.db2.gz QMSDEICAMASAMX-IRXDYDNUSA-N 2 1 318.461 2.595 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CCO1 ZINC000668785457 543867729 /nfs/dbraw/zinc/86/77/29/543867729.db2.gz QMSDEICAMASAMX-IAGOWNOFSA-N 2 1 318.461 2.595 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@]3(C2)CCCOC3)cc1 ZINC000671312882 544067013 /nfs/dbraw/zinc/06/70/13/544067013.db2.gz XZJFHMYJNLLKAW-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cncn2C)cc[nH+]1 ZINC000671472417 544077874 /nfs/dbraw/zinc/07/78/74/544077874.db2.gz RUVJTJMXYVKAPS-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739824 544104871 /nfs/dbraw/zinc/10/48/71/544104871.db2.gz HAFSYGKWUMJRJH-LLVKDONJSA-N 2 1 301.390 2.811 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672619022 544143708 /nfs/dbraw/zinc/14/37/08/544143708.db2.gz HYJFQXGLFMEZMG-XIRDDKMYSA-N 2 1 308.853 2.632 20 0 DFADMP C[C@@H]([NH2+]Cc1c[nH]c2nccnc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000290971425 222039064 /nfs/dbraw/zinc/03/90/64/222039064.db2.gz XKSMJWWKMWFWAS-ZIAGYGMSSA-N 2 1 313.449 2.701 20 0 DFADMP CN(CC[N@@H+](C)[C@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000291103445 222138543 /nfs/dbraw/zinc/13/85/43/222138543.db2.gz JPLQNVSGBBOWPD-MOPGFXCFSA-N 2 1 301.478 2.500 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291279781 222281741 /nfs/dbraw/zinc/28/17/41/222281741.db2.gz RBXQLILWJZSCBD-LPHOPBHVSA-N 2 1 318.461 2.596 20 0 DFADMP OCCCC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291480011 222416990 /nfs/dbraw/zinc/41/69/90/222416990.db2.gz QRGHIYDRJSEPGK-UHFFFAOYSA-N 2 1 302.462 2.747 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[N@@H+](CC)C[C@H]2C)cc1 ZINC000674824594 544263938 /nfs/dbraw/zinc/26/39/38/544263938.db2.gz AJSWOOQQHZPZGY-QAPCUYQASA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000674881183 544273287 /nfs/dbraw/zinc/27/32/87/544273287.db2.gz YPSUUOJRIXKQNF-ZBFHGGJFSA-N 2 1 304.434 2.983 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000674881183 544273289 /nfs/dbraw/zinc/27/32/89/544273289.db2.gz YPSUUOJRIXKQNF-ZBFHGGJFSA-N 2 1 304.434 2.983 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(Cl)c(F)c1 ZINC000297555516 227294519 /nfs/dbraw/zinc/29/45/19/227294519.db2.gz GUZVOCKCQCRPIH-HZPDHXFCSA-N 2 1 323.799 2.875 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000675767379 544334853 /nfs/dbraw/zinc/33/48/53/544334853.db2.gz SOMWEZOGPYMKTN-YSHGAJCASA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H](O)C1 ZINC000675767379 544334855 /nfs/dbraw/zinc/33/48/55/544334855.db2.gz SOMWEZOGPYMKTN-YSHGAJCASA-N 2 1 302.462 2.790 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000677240792 544457318 /nfs/dbraw/zinc/45/73/18/544457318.db2.gz KXWINPCEGKKETG-HOTGVXAUSA-N 2 1 313.445 2.935 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000677475036 544494680 /nfs/dbraw/zinc/49/46/80/544494680.db2.gz LCYHPVPHAVEEEW-SFHVURJKSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@H](CO)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000678044677 544586744 /nfs/dbraw/zinc/58/67/44/544586744.db2.gz RPGTVDFFGUSCBK-PKOBYXMFSA-N 2 1 302.462 2.603 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000678044677 544586746 /nfs/dbraw/zinc/58/67/46/544586746.db2.gz RPGTVDFFGUSCBK-PKOBYXMFSA-N 2 1 302.462 2.603 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000678044677 544586750 /nfs/dbraw/zinc/58/67/50/544586750.db2.gz RPGTVDFFGUSCBK-PKOBYXMFSA-N 2 1 302.462 2.603 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2-n2cncn2)CC1 ZINC000678131875 544606741 /nfs/dbraw/zinc/60/67/41/544606741.db2.gz QJZGCTLKUXOPGD-UHFFFAOYSA-N 2 1 313.449 2.572 20 0 DFADMP CCN1CCC([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678131636 544606755 /nfs/dbraw/zinc/60/67/55/544606755.db2.gz KCESXUIWABEWPD-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP CC[NH+]1CCC(N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678131636 544606757 /nfs/dbraw/zinc/60/67/57/544606757.db2.gz KCESXUIWABEWPD-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678131636 544606761 /nfs/dbraw/zinc/60/67/61/544606761.db2.gz KCESXUIWABEWPD-UHFFFAOYSA-N 3 1 319.493 2.543 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678131636 544606764 /nfs/dbraw/zinc/60/67/64/544606764.db2.gz KCESXUIWABEWPD-UHFFFAOYSA-N 3 1 319.493 2.543 20 0 DFADMP CCc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000678258873 544634494 /nfs/dbraw/zinc/63/44/94/544634494.db2.gz QJQXDDUVMXZTMY-OAHLLOKOSA-N 2 1 307.507 2.522 20 0 DFADMP CCc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000678258873 544634497 /nfs/dbraw/zinc/63/44/97/544634497.db2.gz QJQXDDUVMXZTMY-OAHLLOKOSA-N 2 1 307.507 2.522 20 0 DFADMP Cc1cccc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)n1 ZINC000678315219 544650025 /nfs/dbraw/zinc/65/00/25/544650025.db2.gz YXRDJKXHQGFTEX-UHFFFAOYSA-N 2 1 313.445 2.962 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1-n1cncn1 ZINC000678279192 544643075 /nfs/dbraw/zinc/64/30/75/544643075.db2.gz KZZOTQVCZGCCRO-QGZVFWFLSA-N 2 1 313.449 2.574 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccccc1-n1cncn1 ZINC000678279192 544643079 /nfs/dbraw/zinc/64/30/79/544643079.db2.gz KZZOTQVCZGCCRO-QGZVFWFLSA-N 2 1 313.449 2.574 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccccc1-n1cncn1 ZINC000678279192 544643089 /nfs/dbraw/zinc/64/30/89/544643089.db2.gz KZZOTQVCZGCCRO-QGZVFWFLSA-N 2 1 313.449 2.574 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678544737 544690185 /nfs/dbraw/zinc/69/01/85/544690185.db2.gz FDNPITZCUNBJPK-DOTOQJQBSA-N 2 1 303.450 2.684 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCCc2nc3ccccc3n2C)CC[N@H+]1C ZINC000678592361 544698726 /nfs/dbraw/zinc/69/87/26/544698726.db2.gz QNGMZLYEGQGVMB-LSDHHAIUSA-N 2 1 300.450 2.578 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000678600935 544700212 /nfs/dbraw/zinc/70/02/12/544700212.db2.gz PPMHKHKUPGAVSJ-KRWDZBQOSA-N 2 1 321.509 2.773 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C12CCC2 ZINC000678928817 544750959 /nfs/dbraw/zinc/75/09/59/544750959.db2.gz XFPUSJPBKMBCKN-RCCFBDPRSA-N 2 1 322.493 2.567 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H]1OC ZINC000678928923 544751268 /nfs/dbraw/zinc/75/12/68/544751268.db2.gz ZWCKLZNAHMMWPD-KZNAEPCWSA-N 2 1 324.509 2.813 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000679026580 544769507 /nfs/dbraw/zinc/76/95/07/544769507.db2.gz YIYFBDLLYMMWIM-TZMCWYRMSA-N 2 1 324.428 2.778 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000679025459 544769967 /nfs/dbraw/zinc/76/99/67/544769967.db2.gz SNKBIORBLIXCLU-GDBMZVCRSA-N 2 1 312.417 2.513 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000679026575 544770152 /nfs/dbraw/zinc/77/01/52/544770152.db2.gz YIYFBDLLYMMWIM-GXTWGEPZSA-N 2 1 324.428 2.778 20 0 DFADMP Cc1cc([C@H]([NH2+]C2CC[NH+](CCO)CC2)C2CC2)ccc1F ZINC000679036925 544772378 /nfs/dbraw/zinc/77/23/78/544772378.db2.gz OVCWHIVKBAMCAG-GOSISDBHSA-N 2 1 306.425 2.632 20 0 DFADMP CCC[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(OC)cc1 ZINC000679038756 544773898 /nfs/dbraw/zinc/77/38/98/544773898.db2.gz QEZDMFRUQKIGQW-SFHVURJKSA-N 2 1 306.450 2.583 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000679076091 544779642 /nfs/dbraw/zinc/77/96/42/544779642.db2.gz QNOUFIPPVSCPKY-KCITZHQASA-N 2 1 307.526 2.959 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3CCO[C@H](C)C3)C2)c1 ZINC000679331112 544836077 /nfs/dbraw/zinc/83/60/77/544836077.db2.gz DIWCTYRUWFMXPJ-IKGGRYGDSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3CCO[C@H](C)C3)C2)c1 ZINC000679331112 544836080 /nfs/dbraw/zinc/83/60/80/544836080.db2.gz DIWCTYRUWFMXPJ-IKGGRYGDSA-N 2 1 303.450 2.939 20 0 DFADMP Fc1cccc(CC[NH+]2CCN(c3cc[nH+]cc3)CC2)c1F ZINC000680061097 544952094 /nfs/dbraw/zinc/95/20/94/544952094.db2.gz QIENJXLKPITACF-UHFFFAOYSA-N 2 1 303.356 2.725 20 0 DFADMP Cc1cccc(C[NH+]2CCC(Nc3cc[nH+]cc3C(N)=O)CC2)c1 ZINC000302227133 230184224 /nfs/dbraw/zinc/18/42/24/230184224.db2.gz QDHXSZKODFRPSA-UHFFFAOYSA-N 2 1 324.428 2.565 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCCCC2)CC1 ZINC000067457347 425910710 /nfs/dbraw/zinc/91/07/10/425910710.db2.gz BYTIBYBMXXASGG-UHFFFAOYSA-N 2 1 323.525 2.833 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000124506123 425923340 /nfs/dbraw/zinc/92/33/40/425923340.db2.gz MZXMXIGBLGTSEN-HNNXBMFYSA-N 2 1 307.457 2.750 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124524546 425924064 /nfs/dbraw/zinc/92/40/64/425924064.db2.gz UKHHGGMHBWRZKR-QGZVFWFLSA-N 2 1 303.494 2.919 20 0 DFADMP CC(C)[C@@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000155777450 425926093 /nfs/dbraw/zinc/92/60/93/425926093.db2.gz UFNXXUIIVLTWDU-AEFFLSMTSA-N 2 1 319.493 2.599 20 0 DFADMP Cc1ccc(NCCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)[nH+]c1 ZINC000173781311 267583682 /nfs/dbraw/zinc/58/36/82/267583682.db2.gz CZEDESGOJHZIQN-MRXNPFEDSA-N 2 1 318.465 2.573 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2ccc3c(c2)sc(=O)n3C)CC[N@H+]1C ZINC000192625159 268043667 /nfs/dbraw/zinc/04/36/67/268043667.db2.gz BVESLBMCRIOTHN-TZMCWYRMSA-N 2 1 319.474 2.515 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)sc(=O)n3C)CCN1C ZINC000192625159 268043668 /nfs/dbraw/zinc/04/36/68/268043668.db2.gz BVESLBMCRIOTHN-TZMCWYRMSA-N 2 1 319.474 2.515 20 0 DFADMP OCCCCC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000192926172 268054287 /nfs/dbraw/zinc/05/42/87/268054287.db2.gz OMBFXQFRLQQCBP-QRVBRYPASA-N 2 1 302.462 2.649 20 0 DFADMP COc1cccc2c1CC[N@@H+](Cc1cnc3ccccn13)CC2 ZINC000193721714 268077495 /nfs/dbraw/zinc/07/74/95/268077495.db2.gz AGGUCHKZNXKITB-UHFFFAOYSA-N 2 1 307.397 2.944 20 0 DFADMP COc1cccc2c1CCN(Cc1cnc3ccccn13)CC2 ZINC000193721714 268077497 /nfs/dbraw/zinc/07/74/97/268077497.db2.gz AGGUCHKZNXKITB-UHFFFAOYSA-N 2 1 307.397 2.944 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000195307022 268132616 /nfs/dbraw/zinc/13/26/16/268132616.db2.gz KLVQYOBEMFINCR-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccccn3)CC2)C[C@H](C)O1 ZINC000267422000 268181036 /nfs/dbraw/zinc/18/10/36/268181036.db2.gz WPQIXNVNDKKBJT-CALCHBBNSA-N 2 1 317.477 2.793 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000270851373 268226322 /nfs/dbraw/zinc/22/63/22/268226322.db2.gz HXUIEFYFKQGCJZ-GJZGRUSLSA-N 2 1 305.447 2.841 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C[C@H](O)c1cccs1 ZINC000270851373 268226324 /nfs/dbraw/zinc/22/63/24/268226324.db2.gz HXUIEFYFKQGCJZ-GJZGRUSLSA-N 2 1 305.447 2.841 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270867215 268228668 /nfs/dbraw/zinc/22/86/68/268228668.db2.gz LCGVLJKOJBMFIT-ZWKOTPCHSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1C[C@@H](O)c1ccc(F)cc1 ZINC000270867215 268228669 /nfs/dbraw/zinc/22/86/69/268228669.db2.gz LCGVLJKOJBMFIT-ZWKOTPCHSA-N 2 1 317.408 2.919 20 0 DFADMP CC(C)[C@H](CCO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272656347 268252623 /nfs/dbraw/zinc/25/26/23/268252623.db2.gz LPOQTQLHYNUBKX-NEWSRXKRSA-N 2 1 304.478 2.894 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000278863154 268268557 /nfs/dbraw/zinc/26/85/57/268268557.db2.gz BAPNFFWDFJWVFX-ZIAGYGMSSA-N 2 1 315.417 2.814 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1)C(C)C ZINC000295145224 268291099 /nfs/dbraw/zinc/29/10/99/268291099.db2.gz CBBVFDZAAZVNAK-OAHLLOKOSA-N 2 1 305.466 2.774 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c(OC)c1 ZINC000295959427 268298339 /nfs/dbraw/zinc/29/83/39/268298339.db2.gz MXBCHRYQWLTJKJ-FFHGMXDLSA-N 2 1 304.434 2.980 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(OC)c1 ZINC000295959427 268298340 /nfs/dbraw/zinc/29/83/40/268298340.db2.gz MXBCHRYQWLTJKJ-FFHGMXDLSA-N 2 1 304.434 2.980 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000300203624 268320870 /nfs/dbraw/zinc/32/08/70/268320870.db2.gz JRODXNCWKOBUKK-KBUPBQIOSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000300203624 268320871 /nfs/dbraw/zinc/32/08/71/268320871.db2.gz JRODXNCWKOBUKK-KBUPBQIOSA-N 2 1 311.470 2.505 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000309717849 268336081 /nfs/dbraw/zinc/33/60/81/268336081.db2.gz LIOFIDDYAYKOSE-HNNXBMFYSA-N 2 1 324.469 2.578 20 0 DFADMP CC[NH+](CC)C[C@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309945210 268336862 /nfs/dbraw/zinc/33/68/62/268336862.db2.gz CYIVLNLVFXPXPN-ZDUSSCGKSA-N 2 1 301.475 2.610 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000315260601 268343163 /nfs/dbraw/zinc/34/31/63/268343163.db2.gz DJVSJKMIYUMUBK-ZDUSSCGKSA-N 2 1 324.852 2.933 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000315260601 268343164 /nfs/dbraw/zinc/34/31/64/268343164.db2.gz DJVSJKMIYUMUBK-ZDUSSCGKSA-N 2 1 324.852 2.933 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000333187871 268380842 /nfs/dbraw/zinc/38/08/42/268380842.db2.gz UECNHGZSKCIIBF-NFAWXSAZSA-N 2 1 304.438 2.515 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)CC[NH+](C)C)cc1OC(F)F ZINC000049551664 425879829 /nfs/dbraw/zinc/87/98/29/425879829.db2.gz ZBGQEQCDCVNAOZ-NSHDSACASA-N 2 1 302.365 2.726 20 0 DFADMP COc1ccc(C[N@H+](C)C2CC[NH2+]CC2)cc1Br ZINC000049597511 425880009 /nfs/dbraw/zinc/88/00/09/425880009.db2.gz UVMDITYDBVOGGA-UHFFFAOYSA-N 2 1 313.239 2.642 20 0 DFADMP COc1ccc(C[N@@H+](C)C2CC[NH2+]CC2)cc1Br ZINC000049597511 425880010 /nfs/dbraw/zinc/88/00/10/425880010.db2.gz UVMDITYDBVOGGA-UHFFFAOYSA-N 2 1 313.239 2.642 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCCn2ccnc2C)cc1 ZINC000125817702 425991967 /nfs/dbraw/zinc/99/19/67/425991967.db2.gz MANGYWUCFUMYRA-UHFFFAOYSA-N 2 1 315.417 2.890 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000125817702 425991970 /nfs/dbraw/zinc/99/19/70/425991970.db2.gz MANGYWUCFUMYRA-UHFFFAOYSA-N 2 1 315.417 2.890 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000125817702 425991973 /nfs/dbraw/zinc/99/19/73/425991973.db2.gz MANGYWUCFUMYRA-UHFFFAOYSA-N 2 1 315.417 2.890 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000126075510 426003668 /nfs/dbraw/zinc/00/36/68/426003668.db2.gz QUFDVTOYKUUVKU-UHFFFAOYSA-N 2 1 304.434 2.812 20 0 DFADMP C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124909045 425944493 /nfs/dbraw/zinc/94/44/93/425944493.db2.gz VCGHUGUDXLZQGY-ZJTDPSCFSA-N 2 1 308.491 2.901 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125006026 425949595 /nfs/dbraw/zinc/94/95/95/425949595.db2.gz UGLVYIRWNYVDOH-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(OC)c1 ZINC000158883630 425949997 /nfs/dbraw/zinc/94/99/97/425949997.db2.gz TZVXEMFJOIABKP-MJGOQNOKSA-N 2 1 320.477 2.829 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000125051134 425951919 /nfs/dbraw/zinc/95/19/19/425951919.db2.gz JPQSFWHULQQCHW-DOTOQJQBSA-N 2 1 320.481 2.598 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000125051134 425951922 /nfs/dbraw/zinc/95/19/22/425951922.db2.gz JPQSFWHULQQCHW-DOTOQJQBSA-N 2 1 320.481 2.598 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000125095342 425952923 /nfs/dbraw/zinc/95/29/23/425952923.db2.gz QSQMYZLTHZCUTA-ADAWSYLGSA-N 2 1 306.450 2.781 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125306714 425964526 /nfs/dbraw/zinc/96/45/26/425964526.db2.gz UKFZDGOKTFZOEC-ZIFCJYIRSA-N 2 1 304.478 2.954 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000070170704 425968549 /nfs/dbraw/zinc/96/85/49/425968549.db2.gz WPWBUDKDRCBEGD-CYBMUJFWSA-N 2 1 309.841 2.648 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1 ZINC000070170704 425968551 /nfs/dbraw/zinc/96/85/51/425968551.db2.gz WPWBUDKDRCBEGD-CYBMUJFWSA-N 2 1 309.841 2.648 20 0 DFADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)[C@@H]1C[NH3+] ZINC000070178071 425969915 /nfs/dbraw/zinc/96/99/15/425969915.db2.gz WQUFBGNZZREOSG-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@@H]1C[NH3+] ZINC000070178071 425969917 /nfs/dbraw/zinc/96/99/17/425969917.db2.gz WQUFBGNZZREOSG-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2OCCO2)cc1 ZINC000125509476 425976264 /nfs/dbraw/zinc/97/62/64/425976264.db2.gz LFQMCYGLOFARAL-ZDUSSCGKSA-N 2 1 301.390 2.594 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1(C)CC1 ZINC000126729528 426034243 /nfs/dbraw/zinc/03/42/43/426034243.db2.gz KRNPERXWSZYXSM-INIZCTEOSA-N 2 1 301.478 2.712 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CCC[C@H]([NH+]2CCCCC2)C1 ZINC000161733716 426036297 /nfs/dbraw/zinc/03/62/97/426036297.db2.gz XPNCWOIHRPZEIN-SFHVURJKSA-N 2 1 304.482 2.922 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000126793201 426036460 /nfs/dbraw/zinc/03/64/60/426036460.db2.gz NCTIZUSWRQWTFO-PMPSAXMXSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000126793201 426036463 /nfs/dbraw/zinc/03/64/63/426036463.db2.gz NCTIZUSWRQWTFO-PMPSAXMXSA-N 2 1 308.491 2.975 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3c(c2)CCO3)CC1 ZINC000111229074 426039935 /nfs/dbraw/zinc/03/99/35/426039935.db2.gz SDVXSGQEWJSXDO-UHFFFAOYSA-N 2 1 311.429 2.810 20 0 DFADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CC3=CCCOC3)C2)c1 ZINC000126890653 426040797 /nfs/dbraw/zinc/04/07/97/426040797.db2.gz LSEQDKINWYXCJO-OAHLLOKOSA-N 2 1 306.475 2.896 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CC3=CCCOC3)C2)c1 ZINC000126890653 426040798 /nfs/dbraw/zinc/04/07/98/426040798.db2.gz LSEQDKINWYXCJO-OAHLLOKOSA-N 2 1 306.475 2.896 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@H]2CCOC2)CC1 ZINC000162134793 426053927 /nfs/dbraw/zinc/05/39/27/426053927.db2.gz GCGBZAZJIQDCRL-AEFFLSMTSA-N 2 1 302.462 2.974 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc(OC)c1OC ZINC000127252137 426058067 /nfs/dbraw/zinc/05/80/67/426058067.db2.gz ITKQGSGWXQRMOV-CYBMUJFWSA-N 2 1 324.465 2.951 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000108369339 426014377 /nfs/dbraw/zinc/01/43/77/426014377.db2.gz HIEBIYRDMCTQPP-UHFFFAOYSA-N 2 1 307.413 2.617 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163114883 426090142 /nfs/dbraw/zinc/09/01/42/426090142.db2.gz FSGVGMCQEUXAHH-MFKMUULPSA-N 2 1 317.264 2.730 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000163217788 426093802 /nfs/dbraw/zinc/09/38/02/426093802.db2.gz HUBJROOUUKEGPK-DLBZAZTESA-N 3 1 319.493 2.619 20 0 DFADMP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000163217788 426093805 /nfs/dbraw/zinc/09/38/05/426093805.db2.gz HUBJROOUUKEGPK-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000163217788 426093808 /nfs/dbraw/zinc/09/38/08/426093808.db2.gz HUBJROOUUKEGPK-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163462597 426100889 /nfs/dbraw/zinc/10/08/89/426100889.db2.gz RKJVGAWDHWTAIZ-QGZVFWFLSA-N 3 1 302.466 2.610 20 0 DFADMP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128116190 426102847 /nfs/dbraw/zinc/10/28/47/426102847.db2.gz YRONTCHUSUWNBH-BBWFWOEESA-N 2 1 323.525 2.768 20 0 DFADMP Fc1ccc2c(c1)nccc2NC[C@H]1CN(C2CC2)CCO1 ZINC000113247617 426109371 /nfs/dbraw/zinc/10/93/71/426109371.db2.gz LIUQBPNVJOLAJO-AWEZNQCLSA-N 2 1 301.365 2.649 20 0 DFADMP CO[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000163896866 426110496 /nfs/dbraw/zinc/11/04/96/426110496.db2.gz WTMILKKOCPRAER-RBUKOAKNSA-N 2 1 320.452 2.990 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]C3)cc2)C1 ZINC000164570939 426115049 /nfs/dbraw/zinc/11/50/49/426115049.db2.gz IWPKRASTKNEBTJ-NVXWUHKLSA-N 2 1 315.461 2.857 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000113512806 426116654 /nfs/dbraw/zinc/11/66/54/426116654.db2.gz PHWATMJWROUUTE-ZDUSSCGKSA-N 2 1 316.367 2.968 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000113512806 426116657 /nfs/dbraw/zinc/11/66/57/426116657.db2.gz PHWATMJWROUUTE-ZDUSSCGKSA-N 2 1 316.367 2.968 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](C)[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000166337594 426127535 /nfs/dbraw/zinc/12/75/35/426127535.db2.gz AZPRWTRAZHBWOO-PBWTXFEYSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](C)[C@@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000166337594 426127537 /nfs/dbraw/zinc/12/75/37/426127537.db2.gz AZPRWTRAZHBWOO-PBWTXFEYSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000166337594 426127540 /nfs/dbraw/zinc/12/75/40/426127540.db2.gz AZPRWTRAZHBWOO-PBWTXFEYSA-N 2 1 301.478 2.722 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000128749827 426131651 /nfs/dbraw/zinc/13/16/51/426131651.db2.gz BJTBCAGLNZCNKU-BRWVUGGUSA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000128749827 426131653 /nfs/dbraw/zinc/13/16/53/426131653.db2.gz BJTBCAGLNZCNKU-BRWVUGGUSA-N 2 1 317.477 2.736 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@H](C)C1 ZINC000167630804 426132918 /nfs/dbraw/zinc/13/29/18/426132918.db2.gz BHTGLRTYQIMCIF-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@H](C)C1 ZINC000167630804 426132921 /nfs/dbraw/zinc/13/29/21/426132921.db2.gz BHTGLRTYQIMCIF-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP COC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C(C)C ZINC000162770674 426076413 /nfs/dbraw/zinc/07/64/13/426076413.db2.gz MOQWCTAPIIMYLU-KRWDZBQOSA-N 2 1 323.481 2.764 20 0 DFADMP COC[C@H]([NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000162794735 426077906 /nfs/dbraw/zinc/07/79/06/426077906.db2.gz KHHUSDBSGKMEEF-KRWDZBQOSA-N 2 1 321.465 2.518 20 0 DFADMP CC[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000112529668 426081603 /nfs/dbraw/zinc/08/16/03/426081603.db2.gz ACRHLVCGMBMTRS-DAYGRLMNSA-N 2 1 317.477 2.518 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127760883 426085451 /nfs/dbraw/zinc/08/54/51/426085451.db2.gz QXKYUXPZYHYDMR-FUHWJXTLSA-N 2 1 313.445 2.530 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127760883 426085456 /nfs/dbraw/zinc/08/54/56/426085456.db2.gz QXKYUXPZYHYDMR-FUHWJXTLSA-N 2 1 313.445 2.530 20 0 DFADMP COc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835887 426086866 /nfs/dbraw/zinc/08/68/66/426086866.db2.gz PGCKLFXMPHVZKO-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP COc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075835887 426086868 /nfs/dbraw/zinc/08/68/68/426086868.db2.gz PGCKLFXMPHVZKO-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP CN(C(=O)CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)c1ccccc1 ZINC000135103051 426204954 /nfs/dbraw/zinc/20/49/54/426204954.db2.gz FDDHTZIIZWLHMU-KRWDZBQOSA-N 2 1 317.477 2.846 20 0 DFADMP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)C(C)(C)C ZINC000116396350 426188622 /nfs/dbraw/zinc/18/86/22/426188622.db2.gz BDSWWMFATOXEFN-SJORKVTESA-N 2 1 317.477 2.748 20 0 DFADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000116396933 426189210 /nfs/dbraw/zinc/18/92/10/426189210.db2.gz FVQPEZMIBVUHMD-RDJZCZTQSA-N 2 1 319.493 2.994 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000079461608 426193239 /nfs/dbraw/zinc/19/32/39/426193239.db2.gz PNUUTWFEFICJLL-SJLPKXTDSA-N 2 1 317.477 2.986 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000079461608 426193241 /nfs/dbraw/zinc/19/32/41/426193241.db2.gz PNUUTWFEFICJLL-SJLPKXTDSA-N 2 1 317.477 2.986 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2C)[C@H](C)C1 ZINC000079461608 426193244 /nfs/dbraw/zinc/19/32/44/426193244.db2.gz PNUUTWFEFICJLL-SJLPKXTDSA-N 2 1 317.477 2.986 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000081572262 426224274 /nfs/dbraw/zinc/22/42/74/426224274.db2.gz RAWCUXQFOXNSTH-SFHVURJKSA-N 2 1 323.525 2.737 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000081572262 426224275 /nfs/dbraw/zinc/22/42/75/426224275.db2.gz RAWCUXQFOXNSTH-SFHVURJKSA-N 2 1 323.525 2.737 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000081572262 426224278 /nfs/dbraw/zinc/22/42/78/426224278.db2.gz RAWCUXQFOXNSTH-SFHVURJKSA-N 2 1 323.525 2.737 20 0 DFADMP C[NH+](CCCC[N@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000118401414 426235155 /nfs/dbraw/zinc/23/51/55/426235155.db2.gz RLJCRMRGOGKSRB-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000173384044 426239055 /nfs/dbraw/zinc/23/90/55/426239055.db2.gz LOZFXCJIOWOCSE-INIZCTEOSA-N 2 1 323.868 2.545 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890168 426250605 /nfs/dbraw/zinc/25/06/05/426250605.db2.gz IYQFBJQNZQLMCB-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890168 426250609 /nfs/dbraw/zinc/25/06/09/426250609.db2.gz IYQFBJQNZQLMCB-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000173890168 426250612 /nfs/dbraw/zinc/25/06/12/426250612.db2.gz IYQFBJQNZQLMCB-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP COC(=O)[C@H](C)[N@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000119080489 426260933 /nfs/dbraw/zinc/26/09/33/426260933.db2.gz OVZFIHKVZJJZDI-INIZCTEOSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000119080489 426260935 /nfs/dbraw/zinc/26/09/35/426260935.db2.gz OVZFIHKVZJJZDI-INIZCTEOSA-N 2 1 318.461 2.782 20 0 DFADMP CC[N@H+]1CC[C@@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000119110629 426262639 /nfs/dbraw/zinc/26/26/39/426262639.db2.gz IZTBVOJDZCALAA-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000119110629 426262643 /nfs/dbraw/zinc/26/26/43/426262643.db2.gz IZTBVOJDZCALAA-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000119110629 426262646 /nfs/dbraw/zinc/26/26/46/426262646.db2.gz IZTBVOJDZCALAA-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119110629 426262649 /nfs/dbraw/zinc/26/26/49/426262649.db2.gz IZTBVOJDZCALAA-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000119110629 426262653 /nfs/dbraw/zinc/26/26/53/426262653.db2.gz IZTBVOJDZCALAA-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000174953359 426270550 /nfs/dbraw/zinc/27/05/50/426270550.db2.gz MTTXZMZNBOQHNP-KRWDZBQOSA-N 2 1 317.477 2.552 20 0 DFADMP CC1CC[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000339263738 268785255 /nfs/dbraw/zinc/78/52/55/268785255.db2.gz JZMHEJLXTUGHRT-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135331364 426214171 /nfs/dbraw/zinc/21/41/71/426214171.db2.gz UDFFDYXWFBKARI-QAPCUYQASA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151286002 426288085 /nfs/dbraw/zinc/28/80/85/426288085.db2.gz JLOFCLYNUSQFRO-FUHWJXTLSA-N 2 1 306.450 2.583 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCN2CCCc3ccccc32)C1 ZINC000090551758 426327252 /nfs/dbraw/zinc/32/72/52/426327252.db2.gz HIHPPMCPCPNZPA-QGZVFWFLSA-N 2 1 301.478 2.713 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCN2CCCc3ccccc32)C1 ZINC000090551758 426327254 /nfs/dbraw/zinc/32/72/54/426327254.db2.gz HIHPPMCPCPNZPA-QGZVFWFLSA-N 2 1 301.478 2.713 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000090551758 426327257 /nfs/dbraw/zinc/32/72/57/426327257.db2.gz HIHPPMCPCPNZPA-QGZVFWFLSA-N 2 1 301.478 2.713 20 0 DFADMP C[NH+](CCCCCCO)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175776853 426327640 /nfs/dbraw/zinc/32/76/40/426327640.db2.gz YGIKYJBLHYMACF-IBGZPJMESA-N 2 1 304.478 2.993 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nnc(-c2ccccc2)o1 ZINC000090659840 426329728 /nfs/dbraw/zinc/32/97/28/426329728.db2.gz QEIIEVODAHKLJJ-YCPHGPKFSA-N 2 1 314.433 2.597 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccn(-c2ccccc2)n1 ZINC000091059777 426337189 /nfs/dbraw/zinc/33/71/89/426337189.db2.gz HCPWICZZNOGZLA-OAHLLOKOSA-N 2 1 309.417 2.803 20 0 DFADMP Cn1nccc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000091085045 426338857 /nfs/dbraw/zinc/33/88/57/426338857.db2.gz QDOAAVBLLNEAAF-UHFFFAOYSA-N 2 1 313.449 2.554 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3nc(C)cs3)CC2)C1 ZINC000151103500 426277735 /nfs/dbraw/zinc/27/77/35/426277735.db2.gz VZXFOQJSJUTBDO-OAHLLOKOSA-N 2 1 322.522 2.742 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000151121081 426279953 /nfs/dbraw/zinc/27/99/53/426279953.db2.gz FICLRTWBLXEOGW-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089146497 426281225 /nfs/dbraw/zinc/28/12/25/426281225.db2.gz RPJGFHMTONSYNT-HNNXBMFYSA-N 2 1 313.486 2.563 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089146497 426281226 /nfs/dbraw/zinc/28/12/26/426281226.db2.gz RPJGFHMTONSYNT-HNNXBMFYSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214967 426282226 /nfs/dbraw/zinc/28/22/26/426282226.db2.gz JQQZQVHHAQELDL-JTDSTZFVSA-N 3 1 316.493 2.616 20 0 DFADMP C[C@@H]1CN(C)[C@@H](C)C[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214967 426282231 /nfs/dbraw/zinc/28/22/31/426282231.db2.gz JQQZQVHHAQELDL-JTDSTZFVSA-N 2 1 316.493 2.616 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000122821587 426396587 /nfs/dbraw/zinc/39/65/87/426396587.db2.gz KUKMADBRKDTMDX-HIFRSBDPSA-N 2 1 304.434 2.623 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000122841799 426397262 /nfs/dbraw/zinc/39/72/62/426397262.db2.gz HYOQLNSBYMOWKP-CYBMUJFWSA-N 2 1 301.434 2.922 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652580 426397995 /nfs/dbraw/zinc/39/79/95/426397995.db2.gz WHQOIFBNODZXPS-CKEIUWERSA-N 2 1 316.424 2.830 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CCOC2)cc1F ZINC000153695083 426400206 /nfs/dbraw/zinc/40/02/06/426400206.db2.gz UZJZQGLCVIXSRA-SWLSCSKDSA-N 2 1 303.381 2.834 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596687 426347917 /nfs/dbraw/zinc/34/79/17/426347917.db2.gz PQKLVWATHFSVCJ-JTDSTZFVSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596687 426347921 /nfs/dbraw/zinc/34/79/21/426347921.db2.gz PQKLVWATHFSVCJ-JTDSTZFVSA-N 2 1 312.461 2.750 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@H+](C)C2)s1 ZINC000092747737 426351956 /nfs/dbraw/zinc/35/19/56/426351956.db2.gz RDNANHZJCNJILL-GXTWGEPZSA-N 2 1 311.495 2.633 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)s1 ZINC000092747737 426351959 /nfs/dbraw/zinc/35/19/59/426351959.db2.gz RDNANHZJCNJILL-GXTWGEPZSA-N 2 1 311.495 2.633 20 0 DFADMP Cc1cnccc1NC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000122139377 426360340 /nfs/dbraw/zinc/36/03/40/426360340.db2.gz WMWSTCOHCVYXIT-PBHICJAKSA-N 2 1 314.433 2.871 20 0 DFADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122662998 426387310 /nfs/dbraw/zinc/38/73/10/426387310.db2.gz JOYMNSFCLFBXFN-CQSZACIVSA-N 2 1 311.420 2.595 20 0 DFADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000122758159 426392154 /nfs/dbraw/zinc/39/21/54/426392154.db2.gz ZQQYTIDSMGQEJP-IBGZPJMESA-N 2 1 312.461 2.909 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000122758159 426392157 /nfs/dbraw/zinc/39/21/57/426392157.db2.gz ZQQYTIDSMGQEJP-IBGZPJMESA-N 2 1 312.461 2.909 20 0 DFADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000154252972 426432166 /nfs/dbraw/zinc/43/21/66/426432166.db2.gz VIFJOJSXZJWDDI-SJLPKXTDSA-N 2 1 308.466 2.685 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cnccn1 ZINC000341313110 269066854 /nfs/dbraw/zinc/06/68/54/269066854.db2.gz JKVWUNLOTCDNED-UHFFFAOYSA-N 2 1 312.461 2.767 20 0 DFADMP C[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000341430845 269076166 /nfs/dbraw/zinc/07/61/66/269076166.db2.gz QFEJPNSUUIQMOL-BPKGMFCQSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000341430845 269076168 /nfs/dbraw/zinc/07/61/68/269076168.db2.gz QFEJPNSUUIQMOL-BPKGMFCQSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000341430845 269076169 /nfs/dbraw/zinc/07/61/69/269076169.db2.gz QFEJPNSUUIQMOL-BPKGMFCQSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)CC[N@@H+]1C ZINC000123863881 426457258 /nfs/dbraw/zinc/45/72/58/426457258.db2.gz KVAILSHMXAGKQB-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)CC[N@H+]1C ZINC000123863881 426457262 /nfs/dbraw/zinc/45/72/62/426457262.db2.gz KVAILSHMXAGKQB-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC[NH+]1C ZINC000123863881 426457265 /nfs/dbraw/zinc/45/72/65/426457265.db2.gz KVAILSHMXAGKQB-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)CC[NH+]1C ZINC000123863881 426457269 /nfs/dbraw/zinc/45/72/69/426457269.db2.gz KVAILSHMXAGKQB-BBRMVZONSA-N 2 1 307.413 2.569 20 0 DFADMP CC(C)[C@@H](C[NH2+]C1CCN(c2ccccn2)CC1)[NH+]1CCCC1 ZINC000124136586 426470662 /nfs/dbraw/zinc/47/06/62/426470662.db2.gz DOHZBNTYXSQEJC-GOSISDBHSA-N 2 1 316.493 2.760 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155526883 426473354 /nfs/dbraw/zinc/47/33/54/426473354.db2.gz QGSSAEQFXZZQPR-INIZCTEOSA-N 2 1 317.477 2.743 20 0 DFADMP CC[N@H+]1CC[C@H](CNCc2cccc(OC)c2OC(F)F)C1 ZINC000124173183 426474038 /nfs/dbraw/zinc/47/40/38/426474038.db2.gz RDNDCSDOPUGSAI-GFCCVEGCSA-N 2 1 314.376 2.728 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000124173183 426474039 /nfs/dbraw/zinc/47/40/39/426474039.db2.gz RDNDCSDOPUGSAI-GFCCVEGCSA-N 2 1 314.376 2.728 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(OC)c2OC(F)F)C1 ZINC000124173183 426474040 /nfs/dbraw/zinc/47/40/40/426474040.db2.gz RDNDCSDOPUGSAI-GFCCVEGCSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccc1F ZINC000124315679 426479977 /nfs/dbraw/zinc/47/99/77/426479977.db2.gz BKAVPYNXNXUVDI-HNNXBMFYSA-N 2 1 307.457 2.750 20 0 DFADMP Cc1ccc2c(C[N@@H+](C)CCCn3ccnc3)cc(=O)oc2c1 ZINC000124334904 426480532 /nfs/dbraw/zinc/48/05/32/426480532.db2.gz UJMYBCCUVILUOY-UHFFFAOYSA-N 2 1 311.385 2.820 20 0 DFADMP C[C@H](C(=O)Nc1cc(F)ccc1F)[N@@H+](C)CCCn1ccnc1 ZINC000124341112 426480650 /nfs/dbraw/zinc/48/06/50/426480650.db2.gz SUYMQXSVKQOUIL-GFCCVEGCSA-N 2 1 322.359 2.510 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000124382522 426482769 /nfs/dbraw/zinc/48/27/69/426482769.db2.gz FLLUTKAHYQCTBE-GDBMZVCRSA-N 2 1 316.445 2.810 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000195196223 426507912 /nfs/dbraw/zinc/50/79/12/426507912.db2.gz PRNIBOUDFBJOCD-FUHWJXTLSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000195196223 426507915 /nfs/dbraw/zinc/50/79/15/426507915.db2.gz PRNIBOUDFBJOCD-FUHWJXTLSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000177864198 426530544 /nfs/dbraw/zinc/53/05/44/426530544.db2.gz LNBXDCRPFTYRJH-IIAWOOMASA-N 2 1 307.507 2.567 20 0 DFADMP OCc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000272498607 426541310 /nfs/dbraw/zinc/54/13/10/426541310.db2.gz NQXOYQPRFCTPEZ-PKOBYXMFSA-N 2 1 300.446 2.628 20 0 DFADMP OCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000272498607 426541315 /nfs/dbraw/zinc/54/13/15/426541315.db2.gz NQXOYQPRFCTPEZ-PKOBYXMFSA-N 2 1 300.446 2.628 20 0 DFADMP OCc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000272498607 426541317 /nfs/dbraw/zinc/54/13/17/426541317.db2.gz NQXOYQPRFCTPEZ-PKOBYXMFSA-N 2 1 300.446 2.628 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195136299 426501877 /nfs/dbraw/zinc/50/18/77/426501877.db2.gz HCRMZRALENMXEA-PKOBYXMFSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cn[nH]c1 ZINC000272602689 426568938 /nfs/dbraw/zinc/56/89/38/426568938.db2.gz URUICGMQZVVDJR-QNDJGXFYSA-N 2 1 310.445 2.971 20 0 DFADMP COc1ccccc1C[N@@H+](CCO)CCCc1cnccc1C ZINC000289031879 426572164 /nfs/dbraw/zinc/57/21/64/426572164.db2.gz HCICPKQMIUUUQC-UHFFFAOYSA-N 2 1 314.429 2.826 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)C12CCOCC2 ZINC000186730572 426587202 /nfs/dbraw/zinc/58/72/02/426587202.db2.gz WXLJLFJRNSILKK-KSZLIROESA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000178256123 426593772 /nfs/dbraw/zinc/59/37/72/426593772.db2.gz NJZAHRNGLFGICT-PEBXRYMYSA-N 2 1 320.502 2.949 20 0 DFADMP Cc1n[nH]cc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273120710 426597481 /nfs/dbraw/zinc/59/74/81/426597481.db2.gz ZHLOSVDMEGDLCU-YTQUADARSA-N 2 1 310.445 2.718 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000265218288 426598541 /nfs/dbraw/zinc/59/85/41/426598541.db2.gz NTYDAKSUOCDQGR-ZFWWWQNUSA-N 2 1 317.437 2.507 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](Nc2[nH+]cnc3[nH]ccc32)[C@@H](C)C1 ZINC000265218288 426598548 /nfs/dbraw/zinc/59/85/48/426598548.db2.gz NTYDAKSUOCDQGR-ZFWWWQNUSA-N 2 1 317.437 2.507 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)cc1 ZINC000178294049 426601507 /nfs/dbraw/zinc/60/15/07/426601507.db2.gz BWWINXPNILUYMP-QGZVFWFLSA-N 2 1 313.401 2.643 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000178324701 426605978 /nfs/dbraw/zinc/60/59/78/426605978.db2.gz HJLJFMNKEXDJGX-KRWDZBQOSA-N 2 1 322.412 2.698 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cc2ccccc2[nH]c1=O ZINC000178324701 426605982 /nfs/dbraw/zinc/60/59/82/426605982.db2.gz HJLJFMNKEXDJGX-KRWDZBQOSA-N 2 1 322.412 2.698 20 0 DFADMP c1cc2cc(C[NH+]3CCN(CC[NH+]4CCCC4)CC3)ccc2o1 ZINC000289217994 426606383 /nfs/dbraw/zinc/60/63/83/426606383.db2.gz XELFVRPGESLCQN-UHFFFAOYSA-N 2 1 313.445 2.646 20 0 DFADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000273188877 426611159 /nfs/dbraw/zinc/61/11/59/426611159.db2.gz PJBYHXHQAKGIRF-HNNXBMFYSA-N 2 1 322.449 2.619 20 0 DFADMP COC(=O)COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000273188877 426611160 /nfs/dbraw/zinc/61/11/60/426611160.db2.gz PJBYHXHQAKGIRF-HNNXBMFYSA-N 2 1 322.449 2.619 20 0 DFADMP C[C@H]([NH2+]CCNc1ccccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564269 426561638 /nfs/dbraw/zinc/56/16/38/426561638.db2.gz HANSSEMDMWMTBB-PKOBYXMFSA-N 2 1 324.472 2.994 20 0 DFADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@H]1CC[NH+](C)C1 ZINC000280391455 426563313 /nfs/dbraw/zinc/56/33/13/426563313.db2.gz WWNDNULQZZOKMX-FXAWDEMLSA-N 2 1 312.457 2.627 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000272574350 426563827 /nfs/dbraw/zinc/56/38/27/426563827.db2.gz PNAPAPPLOAJKHT-FCGDIQPGSA-N 2 1 302.462 2.504 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC000228474679 426632351 /nfs/dbraw/zinc/63/23/51/426632351.db2.gz JKBFBIHOYAKJKK-IACUBPJLSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@H]21 ZINC000228474679 426632353 /nfs/dbraw/zinc/63/23/53/426632353.db2.gz JKBFBIHOYAKJKK-IACUBPJLSA-N 2 1 303.431 2.962 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)ncn2C ZINC000289375030 426639876 /nfs/dbraw/zinc/63/98/76/426639876.db2.gz BQFCIIHXOVAGPU-UHFFFAOYSA-N 2 1 300.450 2.881 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc2c(c1)ncn2C ZINC000289375030 426639880 /nfs/dbraw/zinc/63/98/80/426639880.db2.gz BQFCIIHXOVAGPU-UHFFFAOYSA-N 2 1 300.450 2.881 20 0 DFADMP CCCc1cccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000187229382 426640148 /nfs/dbraw/zinc/64/01/48/426640148.db2.gz SVHHRHNEHBJXMT-IBGZPJMESA-N 2 1 304.478 2.966 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@@H]21 ZINC000230047087 426640925 /nfs/dbraw/zinc/64/09/25/426640925.db2.gz KDPNETIEHZOITE-KWCYVHTRSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@@H]21 ZINC000230047087 426640931 /nfs/dbraw/zinc/64/09/31/426640931.db2.gz KDPNETIEHZOITE-KWCYVHTRSA-N 2 1 303.431 2.962 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CCSCC2)CC1 ZINC000187275567 426644787 /nfs/dbraw/zinc/64/47/87/426644787.db2.gz LTGVIOPXYHBPNB-OAHLLOKOSA-N 2 1 314.539 2.997 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccs1 ZINC000178672744 426672377 /nfs/dbraw/zinc/67/23/77/426672377.db2.gz DQNCHDFMMUUFCG-OAHLLOKOSA-N 2 1 323.506 2.589 20 0 DFADMP CC(C)[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000236712503 426679140 /nfs/dbraw/zinc/67/91/40/426679140.db2.gz PNCMFQGASIWWLG-UHFFFAOYSA-N 2 1 306.450 2.674 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[NH2+]CCn3ccnc3)n2)ccc1F ZINC000273262747 426630391 /nfs/dbraw/zinc/63/03/91/426630391.db2.gz CJNBJPVPXDTZCD-LBPRGKRZSA-N 2 1 315.352 2.731 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178752167 426687889 /nfs/dbraw/zinc/68/78/89/426687889.db2.gz JQTCGJKSPRDWKG-ZWKOTPCHSA-N 2 1 321.509 2.761 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(COCCOC)cc2)C1 ZINC000290146980 426702698 /nfs/dbraw/zinc/70/26/98/426702698.db2.gz WHJWFHAVMIVJDR-LJQANCHMSA-N 2 1 320.477 2.623 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(COCCOC)cc2)C1 ZINC000290146980 426702700 /nfs/dbraw/zinc/70/27/00/426702700.db2.gz WHJWFHAVMIVJDR-LJQANCHMSA-N 2 1 320.477 2.623 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000290146980 426702705 /nfs/dbraw/zinc/70/27/05/426702705.db2.gz WHJWFHAVMIVJDR-LJQANCHMSA-N 2 1 320.477 2.623 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000290146980 426702707 /nfs/dbraw/zinc/70/27/07/426702707.db2.gz WHJWFHAVMIVJDR-LJQANCHMSA-N 2 1 320.477 2.623 20 0 DFADMP O[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000187884979 426703814 /nfs/dbraw/zinc/70/38/14/426703814.db2.gz LFQQNXCCWACPSN-OALUTQOASA-N 2 1 320.452 2.726 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159761 426706444 /nfs/dbraw/zinc/70/64/44/426706444.db2.gz XIAJYXIPHPHKTP-DZGCQCFKSA-N 2 1 322.449 2.572 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159761 426706448 /nfs/dbraw/zinc/70/64/48/426706448.db2.gz XIAJYXIPHPHKTP-DZGCQCFKSA-N 2 1 322.449 2.572 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159761 426706453 /nfs/dbraw/zinc/70/64/53/426706453.db2.gz XIAJYXIPHPHKTP-DZGCQCFKSA-N 2 1 322.449 2.572 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)[C@@H](C)C1 ZINC000290159761 426706456 /nfs/dbraw/zinc/70/64/56/426706456.db2.gz XIAJYXIPHPHKTP-DZGCQCFKSA-N 2 1 322.449 2.572 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000178845593 426707140 /nfs/dbraw/zinc/70/71/40/426707140.db2.gz RRDXXSXIMVULIQ-CXAGYDPISA-N 2 1 312.417 2.500 20 0 DFADMP O[C@H](CNC/C=C/c1ccccc1)C[N@@H+]1CCc2ccccc2C1 ZINC000238119738 426709093 /nfs/dbraw/zinc/70/90/93/426709093.db2.gz GHCJWRQRFDSURD-VHTFYLNKSA-N 2 1 322.452 2.709 20 0 DFADMP O[C@H](CNC/C=C/c1ccccc1)C[N@H+]1CCc2ccccc2C1 ZINC000238119738 426709103 /nfs/dbraw/zinc/70/91/03/426709103.db2.gz GHCJWRQRFDSURD-VHTFYLNKSA-N 2 1 322.452 2.709 20 0 DFADMP C[N@@H+](C[C@@H](O)C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290192389 426714680 /nfs/dbraw/zinc/71/46/80/426714680.db2.gz GASRYCWVAYZLMQ-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290192389 426714684 /nfs/dbraw/zinc/71/46/84/426714684.db2.gz GASRYCWVAYZLMQ-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@@H](O)C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290192389 426714688 /nfs/dbraw/zinc/71/46/88/426714688.db2.gz GASRYCWVAYZLMQ-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000188599743 426768243 /nfs/dbraw/zinc/76/82/43/426768243.db2.gz KDMHZRUCDWJARW-RQJABVFESA-N 2 1 308.388 2.542 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000266743429 426771745 /nfs/dbraw/zinc/77/17/45/426771745.db2.gz ABHSSVKRULZEMU-DZGCQCFKSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000290478850 426773885 /nfs/dbraw/zinc/77/38/85/426773885.db2.gz XHZOJTKNXGSNGP-QAPCUYQASA-N 2 1 301.478 2.851 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C1 ZINC000188712806 426780967 /nfs/dbraw/zinc/78/09/67/426780967.db2.gz YMKALYRHDKKFFV-JLJPHGGASA-N 2 1 319.424 2.557 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000290521828 426783257 /nfs/dbraw/zinc/78/32/57/426783257.db2.gz QBEYGUSSEAREGW-ZDUSSCGKSA-N 2 1 322.478 2.868 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc([C@H](C)O)s1 ZINC000290521828 426783265 /nfs/dbraw/zinc/78/32/65/426783265.db2.gz QBEYGUSSEAREGW-ZDUSSCGKSA-N 2 1 322.478 2.868 20 0 DFADMP Cc1[nH+]ccn1CCN1CCO[C@H](c2cccc(Cl)c2)C1 ZINC000274523425 426787674 /nfs/dbraw/zinc/78/76/74/426787674.db2.gz ZLUYXNHHZROVBY-INIZCTEOSA-N 2 1 305.809 2.918 20 0 DFADMP Fc1ccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971689 426727237 /nfs/dbraw/zinc/72/72/37/426727237.db2.gz NMKFNMRRJKXJQS-INIZCTEOSA-N 2 1 312.816 2.852 20 0 DFADMP Fc1ccc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971689 426727242 /nfs/dbraw/zinc/72/72/42/426727242.db2.gz NMKFNMRRJKXJQS-INIZCTEOSA-N 2 1 312.816 2.852 20 0 DFADMP C[N@@H+](CCc1ccc(Br)cc1)CC1CC[NH2+]CC1 ZINC000178971960 426727862 /nfs/dbraw/zinc/72/78/62/426727862.db2.gz JLOPDGNKTYYDDJ-UHFFFAOYSA-N 2 1 311.267 2.923 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000290278996 426733175 /nfs/dbraw/zinc/73/31/75/426733175.db2.gz MBYHAPRZLJWEOR-INIZCTEOSA-N 2 1 304.482 2.760 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000290278996 426733179 /nfs/dbraw/zinc/73/31/79/426733179.db2.gz MBYHAPRZLJWEOR-INIZCTEOSA-N 2 1 304.482 2.760 20 0 DFADMP CSC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188232406 426735187 /nfs/dbraw/zinc/73/51/87/426735187.db2.gz GOASYOYVCZUOQJ-WBMJQRKESA-N 2 1 305.447 2.555 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000274301793 426737944 /nfs/dbraw/zinc/73/79/44/426737944.db2.gz QPAGQAALWPOAAD-NVXWUHKLSA-N 2 1 320.477 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)[C@H](C)CC(C)C)[C@@H](C)C1 ZINC000245436160 426739046 /nfs/dbraw/zinc/73/90/46/426739046.db2.gz QTZHSXOIGQQNNQ-BBWFWOEESA-N 2 1 311.514 2.542 20 0 DFADMP CC/C=C/CC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188309528 426740284 /nfs/dbraw/zinc/74/02/84/426740284.db2.gz CJQMLSHVKSIUAB-VZSQWMKGSA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C/CC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000188309528 426740288 /nfs/dbraw/zinc/74/02/88/426740288.db2.gz CJQMLSHVKSIUAB-VZSQWMKGSA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C/CC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000188309528 426740292 /nfs/dbraw/zinc/74/02/92/426740292.db2.gz CJQMLSHVKSIUAB-VZSQWMKGSA-N 2 1 302.462 2.912 20 0 DFADMP CC/C=C/CC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000188309528 426740298 /nfs/dbraw/zinc/74/02/98/426740298.db2.gz CJQMLSHVKSIUAB-VZSQWMKGSA-N 2 1 302.462 2.912 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000290343638 426745661 /nfs/dbraw/zinc/74/56/61/426745661.db2.gz FPIMDPQJBBLTEF-UXHICEINSA-N 2 1 324.472 2.848 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1OC ZINC000290348740 426747536 /nfs/dbraw/zinc/74/75/36/426747536.db2.gz FYLYNTHGLIOGPJ-KRWDZBQOSA-N 2 1 318.461 2.868 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(Cl)nc2)CC1 ZINC000179104507 426751647 /nfs/dbraw/zinc/75/16/47/426751647.db2.gz JHBVOKFXGLXLLS-OAHLLOKOSA-N 2 1 324.900 2.803 20 0 DFADMP Cn1cc(CN[C@@H]2c3ccccc3CC[C@@H]2n2ccnc2)cn1 ZINC000290542203 426789081 /nfs/dbraw/zinc/78/90/81/426789081.db2.gz RHGAIVCRZXSTDW-ZWKOTPCHSA-N 2 1 307.401 2.635 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000274411389 426763365 /nfs/dbraw/zinc/76/33/65/426763365.db2.gz JBJLBHDJXOMWRH-AWEZNQCLSA-N 2 1 306.425 2.864 20 0 DFADMP Cc1ncsc1CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179183051 426765277 /nfs/dbraw/zinc/76/52/77/426765277.db2.gz OMENHNSESDFHCT-ZBFHGGJFSA-N 2 1 305.491 2.943 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000246163242 426805287 /nfs/dbraw/zinc/80/52/87/426805287.db2.gz ALPUOOVQRQKOPC-IAGOWNOFSA-N 2 1 321.509 2.619 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000179605786 426805864 /nfs/dbraw/zinc/80/58/64/426805864.db2.gz VJBXNCWQJJSRAZ-INIZCTEOSA-N 2 1 309.498 2.535 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000179605786 426805869 /nfs/dbraw/zinc/80/58/69/426805869.db2.gz VJBXNCWQJJSRAZ-INIZCTEOSA-N 2 1 309.498 2.535 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)C1 ZINC000246197654 426809730 /nfs/dbraw/zinc/80/97/30/426809730.db2.gz DPPHCHQNGJFPQO-PMPSAXMXSA-N 2 1 309.498 2.521 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000274679662 426817114 /nfs/dbraw/zinc/81/71/14/426817114.db2.gz ZWTNJIYPFSFPEV-SFGAXHGTSA-N 2 1 302.462 2.956 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000274679662 426817118 /nfs/dbraw/zinc/81/71/18/426817118.db2.gz ZWTNJIYPFSFPEV-SFGAXHGTSA-N 2 1 302.462 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)nc3)CC2)C[C@H](C)O1 ZINC000189309276 426837173 /nfs/dbraw/zinc/83/71/73/426837173.db2.gz YVHDQXOVTHBMTH-GJZGRUSLSA-N 2 1 321.440 2.542 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180134024 426838982 /nfs/dbraw/zinc/83/89/82/426838982.db2.gz ITZCHVSKMRGHKJ-HNNXBMFYSA-N 2 1 315.465 2.714 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000180134024 426838985 /nfs/dbraw/zinc/83/89/85/426838985.db2.gz ITZCHVSKMRGHKJ-HNNXBMFYSA-N 2 1 315.465 2.714 20 0 DFADMP COCC[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162841 426841382 /nfs/dbraw/zinc/84/13/82/426841382.db2.gz TWIBGGAABZRWFV-XGXHKWSGSA-N 2 1 302.462 2.912 20 0 DFADMP CC[C@](C)(O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310024966 426919119 /nfs/dbraw/zinc/91/91/19/426919119.db2.gz UFRHMTBWXGVTOG-FHWLQOOXSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310024966 426919125 /nfs/dbraw/zinc/91/91/25/426919125.db2.gz UFRHMTBWXGVTOG-FHWLQOOXSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310024966 426919132 /nfs/dbraw/zinc/91/91/32/426919132.db2.gz UFRHMTBWXGVTOG-FHWLQOOXSA-N 2 1 302.462 2.601 20 0 DFADMP Cc1n[nH]c(C)c1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275792529 426919587 /nfs/dbraw/zinc/91/95/87/426919587.db2.gz ZHXKBTJYVFGQDJ-OAHLLOKOSA-N 2 1 313.449 2.857 20 0 DFADMP Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275792529 426919594 /nfs/dbraw/zinc/91/95/94/426919594.db2.gz ZHXKBTJYVFGQDJ-OAHLLOKOSA-N 2 1 313.449 2.857 20 0 DFADMP CC[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000337682905 426919749 /nfs/dbraw/zinc/91/97/49/426919749.db2.gz OBPOORWVAZSAPP-MRXNPFEDSA-N 2 1 318.465 2.602 20 0 DFADMP COc1cccc([C@@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000247273408 426920558 /nfs/dbraw/zinc/92/05/58/426920558.db2.gz WPLDZAHKFZKMHL-JKSUJKDBSA-N 2 1 320.477 2.781 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H](Cc2ccccc2)C2CC2)CC1(C)C ZINC000282232371 426860226 /nfs/dbraw/zinc/86/02/26/426860226.db2.gz IOPAEEQYUPQDBN-LJQANCHMSA-N 2 1 315.505 2.623 20 0 DFADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282232575 426861492 /nfs/dbraw/zinc/86/14/92/426861492.db2.gz IPERDXPNHRLMOK-LJQANCHMSA-N 2 1 317.521 2.869 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246827552 426871007 /nfs/dbraw/zinc/87/10/07/426871007.db2.gz AYHHDINUKGWZQJ-KBPBESRZSA-N 2 1 313.486 2.610 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282286900 426871597 /nfs/dbraw/zinc/87/15/97/426871597.db2.gz LJOTYLUDPCROFQ-ZDUSSCGKSA-N 2 1 311.420 2.641 20 0 DFADMP COCC1(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)CCC1 ZINC000291194053 426879915 /nfs/dbraw/zinc/87/99/15/426879915.db2.gz PMIPHBHWQYZYPX-INIZCTEOSA-N 2 1 303.450 2.941 20 0 DFADMP COCC1(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)CCC1 ZINC000291194053 426879922 /nfs/dbraw/zinc/87/99/22/426879922.db2.gz PMIPHBHWQYZYPX-INIZCTEOSA-N 2 1 303.450 2.941 20 0 DFADMP C[C@H]1Cc2ccccc2N1CC[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247112536 426903557 /nfs/dbraw/zinc/90/35/57/426903557.db2.gz TYOPSGNJAWNZRL-CBZIJGRNSA-N 2 1 301.478 2.756 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000247148865 426908576 /nfs/dbraw/zinc/90/85/76/426908576.db2.gz WVQHQBKHTXNDMW-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247164725 426909377 /nfs/dbraw/zinc/90/93/77/426909377.db2.gz XZNSYDBVDMKYOI-QKLQHJQFSA-N 2 1 315.505 2.753 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(C)C ZINC000181540633 426960048 /nfs/dbraw/zinc/96/00/48/426960048.db2.gz JJJMSBOIVJNVCQ-JKSUJKDBSA-N 2 1 314.433 2.869 20 0 DFADMP CC[C@](C)(C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CCCO1)OC ZINC000319605106 426963666 /nfs/dbraw/zinc/96/36/66/426963666.db2.gz JYRDGVKIZNQKQY-RBUKOAKNSA-N 2 1 320.477 2.682 20 0 DFADMP CC[C@](C)(C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1)OC ZINC000319605106 426963669 /nfs/dbraw/zinc/96/36/69/426963669.db2.gz JYRDGVKIZNQKQY-RBUKOAKNSA-N 2 1 320.477 2.682 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@H](C)C1 ZINC000247967175 426971501 /nfs/dbraw/zinc/97/15/01/426971501.db2.gz IGRSHESXTVRDGE-FHLIZLRMSA-N 2 1 307.457 2.748 20 0 DFADMP C[NH+](CC(O)C[N@H+](C)C(C1CC1)C1CC1)C(C1CC1)C1CC1 ZINC000181792319 426983566 /nfs/dbraw/zinc/98/35/66/426983566.db2.gz IXRUTQMLAKLABT-UHFFFAOYSA-N 2 1 306.494 2.588 20 0 DFADMP COc1ccc(OC)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000315140160 426936010 /nfs/dbraw/zinc/93/60/10/426936010.db2.gz WNPAZWAVKBZGHD-RHSMWYFYSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000315140160 426936015 /nfs/dbraw/zinc/93/60/15/426936015.db2.gz WNPAZWAVKBZGHD-RHSMWYFYSA-N 2 1 304.434 2.668 20 0 DFADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000315506934 426937971 /nfs/dbraw/zinc/93/79/71/426937971.db2.gz YXKFOYNOSVBGKE-CQSZACIVSA-N 2 1 300.406 2.606 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000190266753 427058151 /nfs/dbraw/zinc/05/81/51/427058151.db2.gz KULKRIUDHVOBSM-KRWDZBQOSA-N 2 1 319.449 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC1CCC2(CC1)OCCO2 ZINC000190266753 427058158 /nfs/dbraw/zinc/05/81/58/427058158.db2.gz KULKRIUDHVOBSM-KRWDZBQOSA-N 2 1 319.449 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC1CCC2(CC1)OCCO2 ZINC000190266753 427058165 /nfs/dbraw/zinc/05/81/65/427058165.db2.gz KULKRIUDHVOBSM-KRWDZBQOSA-N 2 1 319.449 2.589 20 0 DFADMP Cc1cc(N2CCC([NH2+]Cc3ccncc3C)CC2)nc(C)[nH+]1 ZINC000295530960 426995509 /nfs/dbraw/zinc/99/55/09/426995509.db2.gz WQAJZBQESCYPMH-UHFFFAOYSA-N 2 1 311.433 2.555 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248402544 426996224 /nfs/dbraw/zinc/99/62/24/426996224.db2.gz NHPLMEHOGVAICF-BBWFWOEESA-N 2 1 323.525 2.876 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC000190002378 426996539 /nfs/dbraw/zinc/99/65/39/426996539.db2.gz QZJSSZYPZJIDIM-BEFAXECRSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2C)[C@H](C)C1 ZINC000190002378 426996548 /nfs/dbraw/zinc/99/65/48/426996548.db2.gz QZJSSZYPZJIDIM-BEFAXECRSA-N 2 1 319.493 2.925 20 0 DFADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000248420090 426999424 /nfs/dbraw/zinc/99/94/24/426999424.db2.gz LMOSDEHIBGPUCS-XMTFNYHQSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000248420090 426999429 /nfs/dbraw/zinc/99/94/29/426999429.db2.gz LMOSDEHIBGPUCS-XMTFNYHQSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C)[C@H](C)C3)COC2)C[C@H]1C ZINC000248420090 426999433 /nfs/dbraw/zinc/99/94/33/426999433.db2.gz LMOSDEHIBGPUCS-XMTFNYHQSA-N 2 1 308.510 2.959 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000248439148 427002247 /nfs/dbraw/zinc/00/22/47/427002247.db2.gz UCBXKQOQFJXCIX-JKSUJKDBSA-N 2 1 307.438 2.634 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248439148 427002251 /nfs/dbraw/zinc/00/22/51/427002251.db2.gz UCBXKQOQFJXCIX-JKSUJKDBSA-N 2 1 307.438 2.634 20 0 DFADMP C[C@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000248634221 427024986 /nfs/dbraw/zinc/02/49/86/427024986.db2.gz JKLHUIVAYKHNLO-HZPDHXFCSA-N 2 1 309.498 2.522 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000276275285 427025074 /nfs/dbraw/zinc/02/50/74/427025074.db2.gz SQSTUAIBSOJEIT-WMZOPIPTSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C)[C@@H](C)C1 ZINC000276275285 427025080 /nfs/dbraw/zinc/02/50/80/427025080.db2.gz SQSTUAIBSOJEIT-WMZOPIPTSA-N 2 1 305.466 2.617 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H](N2CCN(C)CC2)C1 ZINC000182210673 427028229 /nfs/dbraw/zinc/02/82/29/427028229.db2.gz UDBFQMYLWMBVPZ-LJQANCHMSA-N 2 1 319.468 2.736 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000182210673 427028245 /nfs/dbraw/zinc/02/82/45/427028245.db2.gz UDBFQMYLWMBVPZ-LJQANCHMSA-N 2 1 319.468 2.736 20 0 DFADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C(C1CC1)C1CC1 ZINC000182246022 427038226 /nfs/dbraw/zinc/03/82/26/427038226.db2.gz WEASBDXMLQFBPW-LJQANCHMSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1ccco1 ZINC000182270229 427045980 /nfs/dbraw/zinc/04/59/80/427045980.db2.gz SPRXUFCYFJDWIL-YOEHRIQHSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccco1 ZINC000182270229 427045986 /nfs/dbraw/zinc/04/59/86/427045986.db2.gz SPRXUFCYFJDWIL-YOEHRIQHSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H](CNC(=O)C[C@@H]1CCCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000296108947 427078039 /nfs/dbraw/zinc/07/80/39/427078039.db2.gz SGCAPMGFBOHWGA-BPQIPLTHSA-N 2 1 317.477 2.531 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC[NH+]2CCCC2)C3)cc1 ZINC000249056820 427082344 /nfs/dbraw/zinc/08/23/44/427082344.db2.gz YWRMREZSYOJVBW-ACDBMABISA-N 2 1 313.489 2.867 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[C@H](C)[NH3+] ZINC000249107569 427088878 /nfs/dbraw/zinc/08/88/78/427088878.db2.gz VPJFXNZMYINOOU-KFWWJZLASA-N 2 1 303.450 2.840 20 0 DFADMP C[C@H]1C[C@@H](NCC(C)(C)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268701105 427092554 /nfs/dbraw/zinc/09/25/54/427092554.db2.gz FPSVIKRINAQEDY-WMZOPIPTSA-N 3 1 303.494 2.969 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCC[C@@H]2CCCF)CCCO1 ZINC000338011456 427092702 /nfs/dbraw/zinc/09/27/02/427092702.db2.gz KHTTXCQZSONHAQ-ZACQAIPSSA-N 2 1 300.462 2.995 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCC[C@@H]2CCCF)CCCO1 ZINC000338011456 427092710 /nfs/dbraw/zinc/09/27/10/427092710.db2.gz KHTTXCQZSONHAQ-ZACQAIPSSA-N 2 1 300.462 2.995 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000249185141 427095178 /nfs/dbraw/zinc/09/51/78/427095178.db2.gz KDMHZRUCDWJARW-SYQHCUMBSA-N 2 1 308.388 2.542 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000249173287 427095634 /nfs/dbraw/zinc/09/56/34/427095634.db2.gz CUHUBMIIIGKSTI-AJNGGQMLSA-N 2 1 322.415 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000268704372 427096172 /nfs/dbraw/zinc/09/61/72/427096172.db2.gz AXWJUHJRMZHRHS-MJGOQNOKSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000268704372 427096181 /nfs/dbraw/zinc/09/61/81/427096181.db2.gz AXWJUHJRMZHRHS-MJGOQNOKSA-N 2 1 312.461 2.916 20 0 DFADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc(OC)c1OC ZINC000249303886 427103445 /nfs/dbraw/zinc/10/34/45/427103445.db2.gz IFOBUGJJJOPAOU-GZBFAFLISA-N 2 1 322.449 2.531 20 0 DFADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc(OC)c1OC ZINC000249303886 427103450 /nfs/dbraw/zinc/10/34/50/427103450.db2.gz IFOBUGJJJOPAOU-GZBFAFLISA-N 2 1 322.449 2.531 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104331 /nfs/dbraw/zinc/10/43/31/427104331.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104334 /nfs/dbraw/zinc/10/43/34/427104334.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104340 /nfs/dbraw/zinc/10/43/40/427104340.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104346 /nfs/dbraw/zinc/10/43/46/427104346.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719829 427104350 /nfs/dbraw/zinc/10/43/50/427104350.db2.gz NYKITJOEFAYQHA-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc(OC)c1OC ZINC000249303888 427104765 /nfs/dbraw/zinc/10/47/65/427104765.db2.gz IFOBUGJJJOPAOU-KCQAQPDRSA-N 2 1 322.449 2.531 20 0 DFADMP COc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc(OC)c1OC ZINC000249303888 427104767 /nfs/dbraw/zinc/10/47/67/427104767.db2.gz IFOBUGJJJOPAOU-KCQAQPDRSA-N 2 1 322.449 2.531 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268734919 427106971 /nfs/dbraw/zinc/10/69/71/427106971.db2.gz VHTOMYASTFDZLX-PKOBYXMFSA-N 2 1 303.494 2.828 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000268764491 427108007 /nfs/dbraw/zinc/10/80/07/427108007.db2.gz NGQBDYHGUSVJNH-QGZVFWFLSA-N 2 1 319.493 2.904 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000268778605 427112745 /nfs/dbraw/zinc/11/27/45/427112745.db2.gz CAILNMIZRSTHOD-AWEZNQCLSA-N 2 1 317.433 2.820 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000268778414 427112833 /nfs/dbraw/zinc/11/28/33/427112833.db2.gz WPOIOTGFWGGGAU-ZDUSSCGKSA-N 2 1 313.445 2.849 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000268783154 427113758 /nfs/dbraw/zinc/11/37/58/427113758.db2.gz QNJPOHATYABZAB-AEFFLSMTSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000268783154 427113763 /nfs/dbraw/zinc/11/37/63/427113763.db2.gz QNJPOHATYABZAB-AEFFLSMTSA-N 2 1 316.493 2.892 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(CC(=O)Nc3cccc4ccccc43)C2)C1 ZINC000292208548 427131017 /nfs/dbraw/zinc/13/10/17/427131017.db2.gz SYXUXLLYNFPNLF-FQEVSTJZSA-N 2 1 323.440 2.806 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1SC ZINC000268832817 427133933 /nfs/dbraw/zinc/13/39/33/427133933.db2.gz KYASHDUJRKTYEX-HIFRSBDPSA-N 2 1 324.490 2.524 20 0 DFADMP CCn1c(C)nnc1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000182748643 427137295 /nfs/dbraw/zinc/13/72/95/427137295.db2.gz XVGNZMSJPYGQSE-UHFFFAOYSA-N 2 1 321.513 2.940 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@H]2C)cc1F ZINC000296311080 427146322 /nfs/dbraw/zinc/14/63/22/427146322.db2.gz GPQXAJIAAIDXPN-MQIPJXDCSA-N 2 1 303.381 2.975 20 0 DFADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000269044457 427149765 /nfs/dbraw/zinc/14/97/65/427149765.db2.gz WGVUAXJEWQKHII-AUUYWEPGSA-N 2 1 318.436 2.904 20 0 DFADMP C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000182812458 427150968 /nfs/dbraw/zinc/15/09/68/427150968.db2.gz FSSIMIGJXHNJRY-SZNDQCEHSA-N 2 1 305.447 2.704 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000269237013 427152328 /nfs/dbraw/zinc/15/23/28/427152328.db2.gz NKZGIWHXJWDMQS-CRAIPNDOSA-N 2 1 317.477 2.661 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2(C)OCCCO2)cc1 ZINC000190663729 427156078 /nfs/dbraw/zinc/15/60/78/427156078.db2.gz ANGCRMXBUZBQBB-AWEZNQCLSA-N 2 1 315.417 2.984 20 0 DFADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000284230206 427161285 /nfs/dbraw/zinc/16/12/85/427161285.db2.gz HSJGYOFRNHSMBC-AEFFLSMTSA-N 2 1 312.461 2.729 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1 ZINC000269276855 427156978 /nfs/dbraw/zinc/15/69/78/427156978.db2.gz OYIDVKWSWGSJEJ-QGZVFWFLSA-N 2 1 305.466 2.632 20 0 DFADMP Cc1cc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000284230206 427161293 /nfs/dbraw/zinc/16/12/93/427161293.db2.gz HSJGYOFRNHSMBC-AEFFLSMTSA-N 2 1 312.461 2.729 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000157953400 271072145 /nfs/dbraw/zinc/07/21/45/271072145.db2.gz LJMJGPWXVYJTMX-AEFFLSMTSA-N 2 1 315.461 2.528 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000190699757 427162521 /nfs/dbraw/zinc/16/25/21/427162521.db2.gz OGIFDGSXDYSCOG-UHFFFAOYSA-N 2 1 304.482 2.889 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252672554 271267598 /nfs/dbraw/zinc/26/75/98/271267598.db2.gz BGUAIIQPKKWTNW-KGLIPLIRSA-N 2 1 302.447 2.855 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252672554 271267600 /nfs/dbraw/zinc/26/76/00/271267600.db2.gz BGUAIIQPKKWTNW-KGLIPLIRSA-N 2 1 302.447 2.855 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+](CCCSCc2ccccc2)CC1 ZINC000270570713 271310928 /nfs/dbraw/zinc/31/09/28/271310928.db2.gz NJRXHBIERLOJQE-UHFFFAOYSA-N 2 1 322.518 2.698 20 0 DFADMP COc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cc(OC)c1 ZINC000270598307 271316208 /nfs/dbraw/zinc/31/62/08/271316208.db2.gz GHUWWIURBHASQP-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP COc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc(OC)c1 ZINC000270598307 271316209 /nfs/dbraw/zinc/31/62/09/271316209.db2.gz GHUWWIURBHASQP-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000333639030 271382052 /nfs/dbraw/zinc/38/20/52/271382052.db2.gz HVWBWCNWFZXPLD-GJZGRUSLSA-N 2 1 306.454 2.762 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000333639028 271382212 /nfs/dbraw/zinc/38/22/12/271382212.db2.gz HVWBWCNWFZXPLD-CABCVRRESA-N 2 1 306.454 2.762 20 0 DFADMP C[N@@H+](CCCO)C1CCN(C[C@H]2CCC3(CCCCC3)O2)CC1 ZINC000190970796 427218256 /nfs/dbraw/zinc/21/82/56/427218256.db2.gz AUUMOUKANJDZTR-GOSISDBHSA-N 2 1 324.509 2.647 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000284288268 427175584 /nfs/dbraw/zinc/17/55/84/427175584.db2.gz KEJWABMJDHBQJH-SQNIBIBYSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000284288268 427175591 /nfs/dbraw/zinc/17/55/91/427175591.db2.gz KEJWABMJDHBQJH-SQNIBIBYSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000338201055 427188724 /nfs/dbraw/zinc/18/87/24/427188724.db2.gz YFASCWTWAFDBIR-SJLPKXTDSA-N 2 1 312.461 2.810 20 0 DFADMP CC[C@@H](C)N1CCN(C(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000296465753 427189082 /nfs/dbraw/zinc/18/90/82/427189082.db2.gz LGTNEDQOHHFANS-CQSZACIVSA-N 2 1 315.421 2.591 20 0 DFADMP Cc1cn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c(C)nc2s1 ZINC000252667334 427193167 /nfs/dbraw/zinc/19/31/67/427193167.db2.gz IVZURECQSCLTIH-KBPBESRZSA-N 2 1 304.463 2.729 20 0 DFADMP Cc1cn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c(C)nc2s1 ZINC000252667334 427193170 /nfs/dbraw/zinc/19/31/70/427193170.db2.gz IVZURECQSCLTIH-KBPBESRZSA-N 2 1 304.463 2.729 20 0 DFADMP Cc1nnc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)[nH]1 ZINC000292767129 427197984 /nfs/dbraw/zinc/19/79/84/427197984.db2.gz IOXMERVKJWWWRP-INIZCTEOSA-N 2 1 313.449 2.503 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@@H]21 ZINC000183132807 427208766 /nfs/dbraw/zinc/20/87/66/427208766.db2.gz OQFRAWLUWKYBLO-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132807 427208771 /nfs/dbraw/zinc/20/87/71/427208771.db2.gz OQFRAWLUWKYBLO-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132807 427208775 /nfs/dbraw/zinc/20/87/75/427208775.db2.gz OQFRAWLUWKYBLO-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132807 427208781 /nfs/dbraw/zinc/20/87/81/427208781.db2.gz OQFRAWLUWKYBLO-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132807 427208787 /nfs/dbraw/zinc/20/87/87/427208787.db2.gz OQFRAWLUWKYBLO-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NCC(C)C)cc1 ZINC000183143417 427211034 /nfs/dbraw/zinc/21/10/34/427211034.db2.gz UGBMQSVGFFNALP-AWEZNQCLSA-N 2 1 314.433 2.604 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330275781 427211280 /nfs/dbraw/zinc/21/12/80/427211280.db2.gz LZCNXPRJDUINDT-QLFBSQMISA-N 2 1 318.465 2.767 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000277496772 427220919 /nfs/dbraw/zinc/22/09/19/427220919.db2.gz OMRZTFKVJGZVQT-HOTGVXAUSA-N 2 1 317.477 2.805 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285404767 427224507 /nfs/dbraw/zinc/22/45/07/427224507.db2.gz FLKHMJKUCZQQHB-DVJFUJMWSA-N 2 1 310.388 2.555 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285404767 427224512 /nfs/dbraw/zinc/22/45/12/427224512.db2.gz FLKHMJKUCZQQHB-DVJFUJMWSA-N 2 1 310.388 2.555 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285404767 427224517 /nfs/dbraw/zinc/22/45/17/427224517.db2.gz FLKHMJKUCZQQHB-DVJFUJMWSA-N 2 1 310.388 2.555 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285404767 427224524 /nfs/dbraw/zinc/22/45/24/427224524.db2.gz FLKHMJKUCZQQHB-DVJFUJMWSA-N 2 1 310.388 2.555 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000338275423 427226779 /nfs/dbraw/zinc/22/67/79/427226779.db2.gz IQFHMHNJUYUAFK-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2CCC2CCCC2)CC1 ZINC000338275423 427226783 /nfs/dbraw/zinc/22/67/83/427226783.db2.gz IQFHMHNJUYUAFK-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP CCc1oc(C(=O)OC)cc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285426160 427227071 /nfs/dbraw/zinc/22/70/71/427227071.db2.gz GZPZERTYCRLDHV-YIONKMFJSA-N 2 1 320.433 2.686 20 0 DFADMP C[N@@H+](CCN1CC[C@@]2(C1)CCC[NH+](C)C2)Cc1ccccc1 ZINC000296709457 427229472 /nfs/dbraw/zinc/22/94/72/427229472.db2.gz LUFNRHRSIMNKDJ-IBGZPJMESA-N 2 1 301.478 2.536 20 0 DFADMP C[NH+](CCN1CC[C@@]2(C1)CCC[N@H+](C)C2)Cc1ccccc1 ZINC000296709457 427229477 /nfs/dbraw/zinc/22/94/77/427229477.db2.gz LUFNRHRSIMNKDJ-IBGZPJMESA-N 2 1 301.478 2.536 20 0 DFADMP C[NH+](CCN1CC[C@@]2(C1)CCC[N@@H+](C)C2)Cc1ccccc1 ZINC000296709457 427229482 /nfs/dbraw/zinc/22/94/82/427229482.db2.gz LUFNRHRSIMNKDJ-IBGZPJMESA-N 2 1 301.478 2.536 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000296727912 427231019 /nfs/dbraw/zinc/23/10/19/427231019.db2.gz IGEQMCRGTOPPCK-GUDVDZBRSA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000296727912 427231026 /nfs/dbraw/zinc/23/10/26/427231026.db2.gz IGEQMCRGTOPPCK-GUDVDZBRSA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000296727912 427231031 /nfs/dbraw/zinc/23/10/31/427231031.db2.gz IGEQMCRGTOPPCK-GUDVDZBRSA-N 2 1 302.462 2.660 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(F)c1F ZINC000183259161 427234761 /nfs/dbraw/zinc/23/47/61/427234761.db2.gz ODJMHEGSFXQQQC-AWEZNQCLSA-N 2 1 311.420 2.643 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000285463792 427238585 /nfs/dbraw/zinc/23/85/85/427238585.db2.gz NEZDAGHJRBEQJT-HNNXBMFYSA-N 2 1 318.490 2.792 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000285463792 427238595 /nfs/dbraw/zinc/23/85/95/427238595.db2.gz NEZDAGHJRBEQJT-HNNXBMFYSA-N 2 1 318.490 2.792 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccsc3C2)CC1 ZINC000337298558 271491053 /nfs/dbraw/zinc/49/10/53/271491053.db2.gz LMJMEPTXTQUJQZ-UHFFFAOYSA-N 2 1 307.507 2.522 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285604255 427286772 /nfs/dbraw/zinc/28/67/72/427286772.db2.gz JWPWRSRXZARJGQ-AWEZNQCLSA-N 2 1 317.433 2.544 20 0 DFADMP COc1cccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)n1 ZINC000191103661 427257982 /nfs/dbraw/zinc/25/79/82/427257982.db2.gz OUTOIWOEFCSAPS-UHFFFAOYSA-N 2 1 312.417 2.552 20 0 DFADMP CCCc1cc(NC[C@H]2C[N@@H+](C)CCN2C)c2ccccc2[nH+]1 ZINC000269719490 427261687 /nfs/dbraw/zinc/26/16/87/427261687.db2.gz BKYPSCIIYVYDRV-INIZCTEOSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1cc(NC[C@H]2CN(C)CC[N@@H+]2C)c2ccccc2[nH+]1 ZINC000269719490 427261692 /nfs/dbraw/zinc/26/16/92/427261692.db2.gz BKYPSCIIYVYDRV-INIZCTEOSA-N 2 1 312.461 2.845 20 0 DFADMP CCCc1cc(NC[C@H]2CN(C)CC[N@H+]2C)c2ccccc2[nH+]1 ZINC000269719490 427261699 /nfs/dbraw/zinc/26/16/99/427261699.db2.gz BKYPSCIIYVYDRV-INIZCTEOSA-N 2 1 312.461 2.845 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000269804013 427282222 /nfs/dbraw/zinc/28/22/22/427282222.db2.gz KKRZORKODQVVHY-YZGWKJHDSA-N 2 1 314.473 2.815 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000269804013 427282229 /nfs/dbraw/zinc/28/22/29/427282229.db2.gz KKRZORKODQVVHY-YZGWKJHDSA-N 2 1 314.473 2.815 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2cnn(C(C)C)c2C)CC1 ZINC000191256166 427301118 /nfs/dbraw/zinc/30/11/18/427301118.db2.gz YRAMKRSZTCZRHQ-OAHLLOKOSA-N 2 1 322.497 2.924 20 0 DFADMP CC(C)N(C)c1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000191301841 427314730 /nfs/dbraw/zinc/31/47/30/427314730.db2.gz FJEMIRYUWCPQBS-GDBMZVCRSA-N 2 1 302.466 2.641 20 0 DFADMP CC(C)N(C)c1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cn1 ZINC000191301841 427314738 /nfs/dbraw/zinc/31/47/38/427314738.db2.gz FJEMIRYUWCPQBS-GDBMZVCRSA-N 2 1 302.466 2.641 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000191323465 427320617 /nfs/dbraw/zinc/32/06/17/427320617.db2.gz ZPFYACAMXSXMLT-UHFFFAOYSA-N 2 1 304.482 2.700 20 0 DFADMP c1cn(CCC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285747181 427325844 /nfs/dbraw/zinc/32/58/44/427325844.db2.gz YMZQJBCYDZEOIY-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP c1cn(CCC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285747181 427325850 /nfs/dbraw/zinc/32/58/50/427325850.db2.gz YMZQJBCYDZEOIY-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP c1cn(CCC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285747181 427325857 /nfs/dbraw/zinc/32/58/57/427325857.db2.gz YMZQJBCYDZEOIY-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000183726674 427328334 /nfs/dbraw/zinc/32/83/34/427328334.db2.gz AUHDLSRBMYQTBF-ZIAGYGMSSA-N 2 1 312.255 2.807 20 0 DFADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC[NH+](C)C)cc1 ZINC000285762812 427330652 /nfs/dbraw/zinc/33/06/52/427330652.db2.gz SGVVOIULIGBXJQ-LJQANCHMSA-N 2 1 313.445 2.915 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3ncccc3c2)CCCO1 ZINC000277828924 427332585 /nfs/dbraw/zinc/33/25/85/427332585.db2.gz LKHVASDKENFDPN-MRXNPFEDSA-N 2 1 313.445 2.825 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000191398937 427340920 /nfs/dbraw/zinc/34/09/20/427340920.db2.gz MKLZECMESOMCKG-RDJZCZTQSA-N 2 1 304.482 2.841 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000191398937 427340926 /nfs/dbraw/zinc/34/09/26/427340926.db2.gz MKLZECMESOMCKG-RDJZCZTQSA-N 2 1 304.482 2.841 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000261810769 427342002 /nfs/dbraw/zinc/34/20/02/427342002.db2.gz GMQXGKHLYRLHDG-GOSISDBHSA-N 2 1 317.477 2.766 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)cc1)C(C)C ZINC000262790940 427373521 /nfs/dbraw/zinc/37/35/21/427373521.db2.gz NELMYZKDARICBG-HOTGVXAUSA-N 2 1 317.477 2.739 20 0 DFADMP COc1cc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)cc2c1OCO2 ZINC000271035607 427381431 /nfs/dbraw/zinc/38/14/31/427381431.db2.gz JCNCXBIGTSPDHZ-UHFFFAOYSA-N 2 1 320.433 2.729 20 0 DFADMP COc1cc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc2c1OCO2 ZINC000271035607 427381439 /nfs/dbraw/zinc/38/14/39/427381439.db2.gz JCNCXBIGTSPDHZ-UHFFFAOYSA-N 2 1 320.433 2.729 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620132 427383873 /nfs/dbraw/zinc/38/38/73/427383873.db2.gz HACHJLDNUFPUCO-KDOFPFPSSA-N 2 1 316.445 2.998 20 0 DFADMP Cc1nocc1C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000293733881 427417216 /nfs/dbraw/zinc/41/72/16/427417216.db2.gz ZMEYPROQVIULIZ-UHFFFAOYSA-N 2 1 318.421 2.590 20 0 DFADMP C[C@@H](O)C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297646312 427417733 /nfs/dbraw/zinc/41/77/33/427417733.db2.gz MZQCTOXEQRIXRH-WBVHZDCISA-N 2 1 302.462 2.758 20 0 DFADMP CCCc1noc(CN(C)CCCc2[nH+]ccn2CCC)n1 ZINC000191490272 427362821 /nfs/dbraw/zinc/36/28/21/427362821.db2.gz FOPXKZILHWHVJD-UHFFFAOYSA-N 2 1 305.426 2.693 20 0 DFADMP CC[N@@H+](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C(C)C ZINC000338536608 427364853 /nfs/dbraw/zinc/36/48/53/427364853.db2.gz OPSTWQKIXKBKCV-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@H](C(=O)N1CC[N@H+](C)Cc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000262651685 427365466 /nfs/dbraw/zinc/36/54/66/427365466.db2.gz RKYLLRLHTNSYCY-KXBFYZLASA-N 2 1 323.440 2.801 20 0 DFADMP C[C@H](C(=O)N1CC[N@@H+](C)Cc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000262651685 427365474 /nfs/dbraw/zinc/36/54/74/427365474.db2.gz RKYLLRLHTNSYCY-KXBFYZLASA-N 2 1 323.440 2.801 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262681459 427368273 /nfs/dbraw/zinc/36/82/73/427368273.db2.gz XMZQTLRIQHYXSU-NXHRZFHOSA-N 2 1 317.477 2.703 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2CCF)C1 ZINC000285903141 427368738 /nfs/dbraw/zinc/36/87/38/427368738.db2.gz BKIPTAKWOGOBON-IPELMVKDSA-N 2 1 320.452 2.871 20 0 DFADMP Cc1ccnc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000286207833 427454801 /nfs/dbraw/zinc/45/48/01/427454801.db2.gz RXLIYWKRAWNWJN-BBWFWOEESA-N 2 1 305.466 2.930 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000278797407 427455651 /nfs/dbraw/zinc/45/56/51/427455651.db2.gz QWCGQDYKNCMQRG-NPUDJZIFSA-N 2 1 306.475 2.700 20 0 DFADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)c1 ZINC000184416484 427457811 /nfs/dbraw/zinc/45/78/11/427457811.db2.gz IMYKNRXMWCRKBQ-SNRMKQJTSA-N 2 1 317.477 2.809 20 0 DFADMP C[C@H](c1cnccn1)[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000278804400 427458499 /nfs/dbraw/zinc/45/84/99/427458499.db2.gz GBJOOTMCIUXHQA-CQSZACIVSA-N 2 1 311.433 2.950 20 0 DFADMP C[C@H]([NH2+][C@H]1CCOC[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278818662 427464902 /nfs/dbraw/zinc/46/49/02/427464902.db2.gz ZYVWLVUCQMXLJJ-JFRXWTBNSA-N 2 1 302.462 2.912 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000278834993 427470507 /nfs/dbraw/zinc/47/05/07/427470507.db2.gz UIOALWFDAGGGAV-VXGBXAGGSA-N 2 1 305.378 2.558 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057831 427471096 /nfs/dbraw/zinc/47/10/96/427471096.db2.gz HWZNIYMIWZUKBN-QGZVFWFLSA-N 3 1 312.461 2.954 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057831 427471100 /nfs/dbraw/zinc/47/11/00/427471100.db2.gz HWZNIYMIWZUKBN-QGZVFWFLSA-N 3 1 312.461 2.954 20 0 DFADMP CC[N@H+](C)C[C@H]1CCN(Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057831 427471104 /nfs/dbraw/zinc/47/11/04/427471104.db2.gz HWZNIYMIWZUKBN-QGZVFWFLSA-N 3 1 312.461 2.954 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000192057831 427471110 /nfs/dbraw/zinc/47/11/10/427471110.db2.gz HWZNIYMIWZUKBN-QGZVFWFLSA-N 3 1 312.461 2.954 20 0 DFADMP C[C@@H](CNC(=O)CC1(C[NH3+])CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000184224313 427420281 /nfs/dbraw/zinc/42/02/81/427420281.db2.gz JKLHUIVAYKHNLO-CVEARBPZSA-N 2 1 309.498 2.522 20 0 DFADMP C[N@@H+](CCO)C1CCN(Cc2c(Cl)oc3ccccc32)CC1 ZINC000271153896 427421576 /nfs/dbraw/zinc/42/15/76/427421576.db2.gz GTFIPJOTLJEIQU-UHFFFAOYSA-N 2 1 322.836 2.975 20 0 DFADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000297681567 427426193 /nfs/dbraw/zinc/42/61/93/427426193.db2.gz PIBPJUZZBXWACI-UHFFFAOYSA-N 2 1 316.474 2.933 20 0 DFADMP CC[NH+](CC)CCC[N@H+](C)Cc1ccccc1N1CCOCC1 ZINC000271177731 427434531 /nfs/dbraw/zinc/43/45/31/427434531.db2.gz XRGCRKSRHUFQMT-UHFFFAOYSA-N 2 1 319.493 2.687 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C)Cc1ccccc1N1CCOCC1 ZINC000271177731 427434537 /nfs/dbraw/zinc/43/45/37/427434537.db2.gz XRGCRKSRHUFQMT-UHFFFAOYSA-N 2 1 319.493 2.687 20 0 DFADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(N2CCCCC2)n1 ZINC000297734473 427441832 /nfs/dbraw/zinc/44/18/32/427441832.db2.gz SOQAFSXXMSWESM-UHFFFAOYSA-N 2 1 314.477 2.788 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)[C@@H](C)C1 ZINC000271190483 427442259 /nfs/dbraw/zinc/44/22/59/427442259.db2.gz LISZQOZXEPAPNJ-ZFWWWQNUSA-N 2 1 320.433 2.586 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)[C@@H](C)C1 ZINC000271190483 427442264 /nfs/dbraw/zinc/44/22/64/427442264.db2.gz LISZQOZXEPAPNJ-ZFWWWQNUSA-N 2 1 320.433 2.586 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)[C@@H](C)C1 ZINC000271190483 427442270 /nfs/dbraw/zinc/44/22/70/427442270.db2.gz LISZQOZXEPAPNJ-ZFWWWQNUSA-N 2 1 320.433 2.586 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)[C@@H](C)C1 ZINC000271190483 427442271 /nfs/dbraw/zinc/44/22/71/427442271.db2.gz LISZQOZXEPAPNJ-ZFWWWQNUSA-N 2 1 320.433 2.586 20 0 DFADMP C[C@H](C[S@](C)=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286327682 427494751 /nfs/dbraw/zinc/49/47/51/427494751.db2.gz YHBXTONRHIULAN-HQLUKAMCSA-N 2 1 322.518 2.786 20 0 DFADMP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)on1 ZINC000278922366 427501531 /nfs/dbraw/zinc/50/15/31/427501531.db2.gz RSWPEHPZWVAQOR-UHFFFAOYSA-N 2 1 300.406 2.895 20 0 DFADMP C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278980519 427521065 /nfs/dbraw/zinc/52/10/65/427521065.db2.gz PJPBJRBHFDTRAX-QXCFHYIPSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000279062389 427546229 /nfs/dbraw/zinc/54/62/29/427546229.db2.gz KZTJKSZOCQADPN-KANFNMMFSA-N 2 1 302.462 2.933 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(NC(=O)OC)cc2)[C@H](C)C1 ZINC000271458442 427547573 /nfs/dbraw/zinc/54/75/73/427547573.db2.gz HIENDGYYRMKMBG-PBHICJAKSA-N 2 1 319.449 2.727 20 0 DFADMP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)o1 ZINC000192799063 427612825 /nfs/dbraw/zinc/61/28/25/427612825.db2.gz QNEUBGXYDJZUEN-HQSKLWIPSA-N 2 1 317.477 2.940 20 0 DFADMP Cc1c[nH+]ccc1N1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000192565950 427565837 /nfs/dbraw/zinc/56/58/37/427565837.db2.gz WTSIEWXAOYMEJK-UHFFFAOYSA-N 2 1 324.472 2.644 20 0 DFADMP C[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000279152026 427576316 /nfs/dbraw/zinc/57/63/16/427576316.db2.gz SUDBMAKMYOLBOF-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccnc1 ZINC000185014361 427577362 /nfs/dbraw/zinc/57/73/62/427577362.db2.gz WRNLIEDKJCDJGF-LJQANCHMSA-N 2 1 318.509 2.930 20 0 DFADMP COc1ccc(OCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298341389 427578533 /nfs/dbraw/zinc/57/85/33/427578533.db2.gz JHGUJYVVZRGZSB-UHFFFAOYSA-N 2 1 304.434 2.681 20 0 DFADMP CCc1oc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)cc1C(=O)OC ZINC000338946680 427581473 /nfs/dbraw/zinc/58/14/73/427581473.db2.gz ADRJARVTKFWMLW-UHFFFAOYSA-N 2 1 317.389 2.731 20 0 DFADMP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000192663763 427582990 /nfs/dbraw/zinc/58/29/90/427582990.db2.gz XJGWFHVDMIVOPR-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP CCOc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000192663763 427582996 /nfs/dbraw/zinc/58/29/96/427582996.db2.gz XJGWFHVDMIVOPR-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(O)ccc1Br ZINC000272088604 427628052 /nfs/dbraw/zinc/62/80/52/427628052.db2.gz XPNNHNFPUGBIIK-UHFFFAOYSA-N 2 1 324.222 2.840 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]CCc2cccc(Cl)c2)CC1 ZINC000298494892 427630544 /nfs/dbraw/zinc/63/05/44/427630544.db2.gz QEYNAAFKQPPVOR-UHFFFAOYSA-N 2 1 323.912 2.746 20 0 DFADMP CN(C)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1c(F)cccc1F ZINC000298510739 427635138 /nfs/dbraw/zinc/63/51/38/427635138.db2.gz QYSJZDOLHDGFFV-KRWDZBQOSA-N 2 1 323.431 2.784 20 0 DFADMP Fc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1-n1ccnc1 ZINC000339065002 427658047 /nfs/dbraw/zinc/65/80/47/427658047.db2.gz BDDIECKROPYMTG-HOTGVXAUSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)ccc1-n1ccnc1 ZINC000339065002 427658052 /nfs/dbraw/zinc/65/80/52/427658052.db2.gz BDDIECKROPYMTG-HOTGVXAUSA-N 3 1 314.408 2.728 20 0 DFADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)ccc1-n1ccnc1 ZINC000339065002 427658057 /nfs/dbraw/zinc/65/80/57/427658057.db2.gz BDDIECKROPYMTG-HOTGVXAUSA-N 3 1 314.408 2.728 20 0 DFADMP CC[C@H](C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1)[NH+]1CCCC1 ZINC000287658154 427663906 /nfs/dbraw/zinc/66/39/06/427663906.db2.gz LPBTWUHJMVOWPA-NVXWUHKLSA-N 2 1 313.449 2.792 20 0 DFADMP COC(=O)[C@@H](C)C[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342443221 272014770 /nfs/dbraw/zinc/01/47/70/272014770.db2.gz CMASICIKBFFNGE-HNNXBMFYSA-N 2 1 315.417 2.503 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342443221 272014772 /nfs/dbraw/zinc/01/47/72/272014772.db2.gz CMASICIKBFFNGE-HNNXBMFYSA-N 2 1 315.417 2.503 20 0 DFADMP Cc1nccn1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000342602691 272029264 /nfs/dbraw/zinc/02/92/64/272029264.db2.gz ARCRPXXGZOSJGZ-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP CCC1CC([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)C1 ZINC000342696969 272043007 /nfs/dbraw/zinc/04/30/07/272043007.db2.gz DXSUCEISUDDHOZ-UHFFFAOYSA-N 2 1 301.478 2.712 20 0 DFADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@H]1CCC[N@H+]1CCC ZINC000342787924 272053681 /nfs/dbraw/zinc/05/36/81/272053681.db2.gz OEDXRMQZDCTKKR-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000295027969 427669440 /nfs/dbraw/zinc/66/94/40/427669440.db2.gz MSXHYZPCKFXPGT-IBGZPJMESA-N 2 1 303.494 2.782 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCn2ccnc2C)C1 ZINC000342862767 272063734 /nfs/dbraw/zinc/06/37/34/272063734.db2.gz CSMSJKIYMNWRMT-WBVHZDCISA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000342862767 272063735 /nfs/dbraw/zinc/06/37/35/272063735.db2.gz CSMSJKIYMNWRMT-WBVHZDCISA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000342862767 272063737 /nfs/dbraw/zinc/06/37/37/272063737.db2.gz CSMSJKIYMNWRMT-WBVHZDCISA-N 2 1 320.481 2.598 20 0 DFADMP C[C@@H](CCc1ccccc1)C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000342952572 272070927 /nfs/dbraw/zinc/07/09/27/272070927.db2.gz PSDVZOQOCWGIDD-KRWDZBQOSA-N 2 1 304.478 2.644 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000343190310 272095243 /nfs/dbraw/zinc/09/52/43/272095243.db2.gz DMZGRMYQPGSPNS-MRXNPFEDSA-N 2 1 323.444 2.862 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000295054596 427673369 /nfs/dbraw/zinc/67/33/69/427673369.db2.gz GBMBAYCBNPAGLZ-MTFMMBMASA-N 2 1 316.489 2.895 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000343466360 272153924 /nfs/dbraw/zinc/15/39/24/272153924.db2.gz JWCULMZQDXTKPR-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(=O)N1CCCC1 ZINC000343509542 272162191 /nfs/dbraw/zinc/16/21/91/272162191.db2.gz RKUXMQXUCHQMEQ-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000343532284 272165559 /nfs/dbraw/zinc/16/55/59/272165559.db2.gz VRWJIHRRXQOWFN-SJLPKXTDSA-N 2 1 319.493 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H](O)C(C)(C)C)C1)CCCC2 ZINC000343690144 272201387 /nfs/dbraw/zinc/20/13/87/272201387.db2.gz MRNFJEYVTSHDIJ-RHSMWYFYSA-N 2 1 305.466 2.724 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H](O)C(C)(C)C)C1)CCCC2 ZINC000343690144 272201390 /nfs/dbraw/zinc/20/13/90/272201390.db2.gz MRNFJEYVTSHDIJ-RHSMWYFYSA-N 2 1 305.466 2.724 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916098 272236933 /nfs/dbraw/zinc/23/69/33/272236933.db2.gz AKLHSURFHORKCS-LMMKCTJWSA-N 2 1 301.478 2.705 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343921978 272237755 /nfs/dbraw/zinc/23/77/55/272237755.db2.gz JQDOKTPKIWYFHI-JTDSTZFVSA-N 2 1 319.468 2.845 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000343923301 272238344 /nfs/dbraw/zinc/23/83/44/272238344.db2.gz GRWSWAZPQFFXCX-HNNXBMFYSA-N 2 1 311.514 2.734 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000343923301 272238346 /nfs/dbraw/zinc/23/83/46/272238346.db2.gz GRWSWAZPQFFXCX-HNNXBMFYSA-N 2 1 311.514 2.734 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(F)cc1C ZINC000344147676 272274258 /nfs/dbraw/zinc/27/42/58/272274258.db2.gz QFOFEXLMTOBQIV-UHFFFAOYSA-N 2 1 321.484 2.984 20 0 DFADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000344172884 272279386 /nfs/dbraw/zinc/27/93/86/272279386.db2.gz PBQHFOFETPJEQU-DLBZAZTESA-N 2 1 324.509 2.815 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](OC)c2ccccc2F)CC1 ZINC000344281007 272304172 /nfs/dbraw/zinc/30/41/72/272304172.db2.gz AAWSXZPNNLTRDR-KBXCAEBGSA-N 2 1 324.440 2.602 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)[C@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000344291085 272306344 /nfs/dbraw/zinc/30/63/44/272306344.db2.gz HZOHDQIEQUBGKN-ROUUACIJSA-N 2 1 303.450 2.716 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)[C@H]2CCO[C@H]2c2cccnc2)CC1 ZINC000344291085 272306346 /nfs/dbraw/zinc/30/63/46/272306346.db2.gz HZOHDQIEQUBGKN-ROUUACIJSA-N 2 1 303.450 2.716 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344374053 272323824 /nfs/dbraw/zinc/32/38/24/272323824.db2.gz SXVSXBSKAOWXLJ-GPMSIDNRSA-N 2 1 301.478 2.752 20 0 DFADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344519459 272332834 /nfs/dbraw/zinc/33/28/34/272332834.db2.gz FKUKHRUFEZXQFC-HXUWFJFHSA-N 2 1 310.441 2.722 20 0 DFADMP Cc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344519459 272332837 /nfs/dbraw/zinc/33/28/37/272332837.db2.gz FKUKHRUFEZXQFC-HXUWFJFHSA-N 2 1 310.441 2.722 20 0 DFADMP O[C@@]1(C[NH2+]Cc2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000344516921 272333104 /nfs/dbraw/zinc/33/31/04/272333104.db2.gz GJVNJSLQRKCFIE-LJQANCHMSA-N 2 1 314.404 2.552 20 0 DFADMP O[C@@]1(C[NH2+]Cc2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344516921 272333105 /nfs/dbraw/zinc/33/31/05/272333105.db2.gz GJVNJSLQRKCFIE-LJQANCHMSA-N 2 1 314.404 2.552 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000344537254 272335340 /nfs/dbraw/zinc/33/53/40/272335340.db2.gz KAEMYLOFCOCMMU-QAPCUYQASA-N 2 1 306.450 2.532 20 0 DFADMP O[C@@]1(C[NH2+]Cc2ccc(F)cc2)CC[N@H+](Cc2ccccc2)C1 ZINC000344549814 272336240 /nfs/dbraw/zinc/33/62/40/272336240.db2.gz PEVAFMIGXFZIDQ-LJQANCHMSA-N 2 1 314.404 2.552 20 0 DFADMP O[C@@]1(C[NH2+]Cc2ccc(F)cc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344549814 272336241 /nfs/dbraw/zinc/33/62/41/272336241.db2.gz PEVAFMIGXFZIDQ-LJQANCHMSA-N 2 1 314.404 2.552 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)cnc21 ZINC000344637976 272351034 /nfs/dbraw/zinc/35/10/34/272351034.db2.gz XAQBSRAPSVJUMW-XJKSGUPXSA-N 2 1 301.438 2.585 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)cnc21 ZINC000344637976 272351036 /nfs/dbraw/zinc/35/10/36/272351036.db2.gz XAQBSRAPSVJUMW-XJKSGUPXSA-N 2 1 301.438 2.585 20 0 DFADMP C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000344740257 272364671 /nfs/dbraw/zinc/36/46/71/272364671.db2.gz LCSPAAIDYCLGOZ-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679207 427688809 /nfs/dbraw/zinc/68/88/09/427688809.db2.gz JPFAKMCJGGNELT-JKSUJKDBSA-N 2 1 315.461 2.868 20 0 DFADMP C[C@H]([NH2+]CC(=O)Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679207 427688813 /nfs/dbraw/zinc/68/88/13/427688813.db2.gz JPFAKMCJGGNELT-JKSUJKDBSA-N 2 1 315.461 2.868 20 0 DFADMP C[N@@H+]1C[C@H]2CN(Cc3cc4ccccc4nc3Cl)C[C@H]2C1 ZINC000193636525 427701958 /nfs/dbraw/zinc/70/19/58/427701958.db2.gz VHBTVBVUOXMVTC-GASCZTMLSA-N 2 1 301.821 2.882 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000339180677 427719983 /nfs/dbraw/zinc/71/99/83/427719983.db2.gz DDTCBMOHXLXLNH-GVDBMIGSSA-N 2 1 322.493 2.962 20 0 DFADMP Cc1cnn(CC2CC[NH+](CCCCn3cc[nH+]c3C)CC2)c1 ZINC000336870985 427768618 /nfs/dbraw/zinc/76/86/18/427768618.db2.gz KYAXUPGZJQODRO-UHFFFAOYSA-N 2 1 315.465 2.889 20 0 DFADMP CO[C@@H]1CC[N@H+](CCCCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000339407574 427768802 /nfs/dbraw/zinc/76/88/02/427768802.db2.gz PMIDMAXYMCPAIK-FUHWJXTLSA-N 2 1 306.450 2.674 20 0 DFADMP CO[C@@H]1CC[N@@H+](CCCCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000339407574 427768804 /nfs/dbraw/zinc/76/88/04/427768804.db2.gz PMIDMAXYMCPAIK-FUHWJXTLSA-N 2 1 306.450 2.674 20 0 DFADMP c1ccc(CCCO[C@H]2CC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427849 427772305 /nfs/dbraw/zinc/77/23/05/427772305.db2.gz DZNIPFUCSRVSBP-OALUTQOASA-N 2 1 302.462 2.710 20 0 DFADMP COC(=O)c1oc([C@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000339433054 427773878 /nfs/dbraw/zinc/77/38/78/427773878.db2.gz IYDWVELPQLQBJO-KBXCAEBGSA-N 2 1 320.433 2.853 20 0 DFADMP CC[C@H](C(=O)NC[C@H](C)[NH+](CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000339439043 427775931 /nfs/dbraw/zinc/77/59/31/427775931.db2.gz RFIVRVZKAAWZDZ-FUHWJXTLSA-N 2 1 319.493 2.744 20 0 DFADMP Cc1ccc(C)c(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000339546168 427791587 /nfs/dbraw/zinc/79/15/87/427791587.db2.gz KBZCAWWQMSPSEM-NRFANRHFSA-N 2 1 324.468 2.812 20 0 DFADMP Cc1ccc(C)c(CNC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000339546168 427791589 /nfs/dbraw/zinc/79/15/89/427791589.db2.gz KBZCAWWQMSPSEM-NRFANRHFSA-N 2 1 324.468 2.812 20 0 DFADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC4CCOCC4)C[C@@H]3C2)cc1 ZINC000336696224 427749035 /nfs/dbraw/zinc/74/90/35/427749035.db2.gz ARVVFCCILZWWEH-PMACEKPBSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)cc1 ZINC000336696224 427749039 /nfs/dbraw/zinc/74/90/39/427749039.db2.gz ARVVFCCILZWWEH-PMACEKPBSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)cc1 ZINC000336696224 427749042 /nfs/dbraw/zinc/74/90/42/427749042.db2.gz ARVVFCCILZWWEH-PMACEKPBSA-N 2 1 314.473 2.867 20 0 DFADMP CC(C)OC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000337348805 427857372 /nfs/dbraw/zinc/85/73/72/427857372.db2.gz ZKPSHOLXYZELME-DLBZAZTESA-N 2 1 320.477 2.810 20 0 DFADMP CC(C)OC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000337348805 427857375 /nfs/dbraw/zinc/85/73/75/427857375.db2.gz ZKPSHOLXYZELME-DLBZAZTESA-N 2 1 320.477 2.810 20 0 DFADMP CCOCC[N@@H+]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1C ZINC000301429455 427795939 /nfs/dbraw/zinc/79/59/39/427795939.db2.gz VDDSXIHMTDMKNV-CQSZACIVSA-N 2 1 317.408 2.921 20 0 DFADMP CCOCC[N@H+]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@H]1C ZINC000301429455 427795941 /nfs/dbraw/zinc/79/59/41/427795941.db2.gz VDDSXIHMTDMKNV-CQSZACIVSA-N 2 1 317.408 2.921 20 0 DFADMP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4c(C)cccc34)C2)CC1 ZINC000301652222 427812926 /nfs/dbraw/zinc/81/29/26/427812926.db2.gz GOKBMNUDAVNWSG-QGZVFWFLSA-N 2 1 324.472 2.759 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccccc1OCc1ccncc1 ZINC000340440624 427849392 /nfs/dbraw/zinc/84/93/92/427849392.db2.gz PRENXDKEYUVBKU-UHFFFAOYSA-N 2 1 322.412 2.955 20 0 DFADMP CCCCOc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000359458161 427860621 /nfs/dbraw/zinc/86/06/21/427860621.db2.gz PIUMXHMALOROLO-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP Cc1cc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1Oc1cccnc1 ZINC000359473712 427866133 /nfs/dbraw/zinc/86/61/33/427866133.db2.gz NVAGWHOEBIAIGU-IAGOWNOFSA-N 2 1 309.413 2.834 20 0 DFADMP COC(C)(C)CC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000340576418 427883027 /nfs/dbraw/zinc/88/30/27/427883027.db2.gz KWJGTALKZCGBGX-QGZVFWFLSA-N 2 1 305.466 2.650 20 0 DFADMP COC(C)(C)CC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000340576418 427883030 /nfs/dbraw/zinc/88/30/30/427883030.db2.gz KWJGTALKZCGBGX-QGZVFWFLSA-N 2 1 305.466 2.650 20 0 DFADMP COC(C)(C)CC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000340576418 427883034 /nfs/dbraw/zinc/88/30/34/427883034.db2.gz KWJGTALKZCGBGX-QGZVFWFLSA-N 2 1 305.466 2.650 20 0 DFADMP COC(C)(C)CC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000340576418 427883039 /nfs/dbraw/zinc/88/30/39/427883039.db2.gz KWJGTALKZCGBGX-QGZVFWFLSA-N 2 1 305.466 2.650 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000346646850 272664664 /nfs/dbraw/zinc/66/46/64/272664664.db2.gz NCHHNXTXLLLLDD-UHFFFAOYSA-N 2 1 312.461 2.780 20 0 DFADMP CC(C)COCC[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000337469786 427919875 /nfs/dbraw/zinc/91/98/75/427919875.db2.gz OUYJZKYBDXPISJ-OALUTQOASA-N 2 1 302.462 2.723 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587543 427923648 /nfs/dbraw/zinc/92/36/48/427923648.db2.gz FCILMUGATARLKM-DLBZAZTESA-N 2 1 316.489 2.569 20 0 DFADMP Cn1cc(CCC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340223099 427958198 /nfs/dbraw/zinc/95/81/98/427958198.db2.gz SSHQWMASEIUHMF-OALUTQOASA-N 2 1 312.461 2.778 20 0 DFADMP Cn1cc(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340223099 427958201 /nfs/dbraw/zinc/95/82/01/427958201.db2.gz SSHQWMASEIUHMF-OALUTQOASA-N 2 1 312.461 2.778 20 0 DFADMP C[C@@H](CCCC(F)(F)F)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000359659230 427959890 /nfs/dbraw/zinc/95/98/90/427959890.db2.gz GOEBMCRDBSZKGZ-AWEZNQCLSA-N 2 1 309.420 2.725 20 0 DFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340235032 427960147 /nfs/dbraw/zinc/96/01/47/427960147.db2.gz GXBSSUIDAAGKIF-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1nc(CN(C)[C@@H]2CCCN(c3cccc(C)[nH+]3)CC2)no1 ZINC000359663741 427963452 /nfs/dbraw/zinc/96/34/52/427963452.db2.gz NECLFKNSGKPJGI-OAHLLOKOSA-N 2 1 315.421 2.572 20 0 DFADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)[NH2+]1 ZINC000347007612 272711093 /nfs/dbraw/zinc/71/10/93/272711093.db2.gz RAUUPIQMHRKKNL-IAGOWNOFSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000341034949 427974427 /nfs/dbraw/zinc/97/44/27/427974427.db2.gz HPBICYZXQWEQMS-IYBDPMFKSA-N 2 1 317.477 2.741 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2cccnc2)C1 ZINC000376738195 427991194 /nfs/dbraw/zinc/99/11/94/427991194.db2.gz SEYAKTYCUXYNTJ-SJLPKXTDSA-N 2 1 305.466 2.666 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000337487411 427929335 /nfs/dbraw/zinc/92/93/35/427929335.db2.gz TWDUFWQOKSNLAJ-HKUYNNGSSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000337487411 427929341 /nfs/dbraw/zinc/92/93/41/427929341.db2.gz TWDUFWQOKSNLAJ-HKUYNNGSSA-N 2 1 300.446 2.546 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccccc2N(C)C)C[C@H](C)O1 ZINC000340175808 427944478 /nfs/dbraw/zinc/94/44/78/427944478.db2.gz QADANHWUCAXMEC-CALCHBBNSA-N 2 1 319.493 2.732 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccncc1F ZINC000340207861 427953395 /nfs/dbraw/zinc/95/33/95/427953395.db2.gz YODADNWTHZCKSE-ZNMIVQPWSA-N 2 1 309.429 2.761 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000359806281 428024307 /nfs/dbraw/zinc/02/43/07/428024307.db2.gz LWIKWUCXEIXFHC-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000359806281 428024312 /nfs/dbraw/zinc/02/43/12/428024312.db2.gz LWIKWUCXEIXFHC-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000359806281 428024313 /nfs/dbraw/zinc/02/43/13/428024313.db2.gz LWIKWUCXEIXFHC-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000346127540 428027920 /nfs/dbraw/zinc/02/79/20/428027920.db2.gz IFXQXEAYEJORHU-XDNAFOTISA-N 2 1 312.498 2.669 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000346132518 428030427 /nfs/dbraw/zinc/03/04/27/428030427.db2.gz BXNSPULQCFKTBP-IAGOWNOFSA-N 2 1 323.525 2.830 20 0 DFADMP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376966225 428032970 /nfs/dbraw/zinc/03/29/70/428032970.db2.gz FJGXCCFIGTUGGI-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376966225 428032974 /nfs/dbraw/zinc/03/29/74/428032974.db2.gz FJGXCCFIGTUGGI-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376967812 428033491 /nfs/dbraw/zinc/03/34/91/428033491.db2.gz NNHMCDNTGYCFNB-AWEZNQCLSA-N 2 1 301.438 2.529 20 0 DFADMP C[N@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376967812 428033496 /nfs/dbraw/zinc/03/34/96/428033496.db2.gz NNHMCDNTGYCFNB-AWEZNQCLSA-N 2 1 301.438 2.529 20 0 DFADMP Cc1nn(C)c(Cl)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000369723865 428043747 /nfs/dbraw/zinc/04/37/47/428043747.db2.gz YMRPMFIFDQNIFO-UHFFFAOYSA-N 2 1 310.873 2.690 20 0 DFADMP CCc1cnc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)s1 ZINC000346164261 428045469 /nfs/dbraw/zinc/04/54/69/428045469.db2.gz HSHGTXPSGLMRPL-UHFFFAOYSA-N 2 1 323.506 2.640 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCCO1 ZINC000341372761 428049755 /nfs/dbraw/zinc/04/97/55/428049755.db2.gz OGOSNCCSKRNWAN-NCXUSEDFSA-N 2 1 324.509 2.672 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)CCCO1 ZINC000341372761 428049758 /nfs/dbraw/zinc/04/97/58/428049758.db2.gz OGOSNCCSKRNWAN-NCXUSEDFSA-N 2 1 324.509 2.672 20 0 DFADMP CO[C@@H](C)C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000346195300 428062515 /nfs/dbraw/zinc/06/25/15/428062515.db2.gz HWVQGIOITKQMHD-AWEZNQCLSA-N 2 1 302.422 2.821 20 0 DFADMP C=Cn1cc(CNC[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000377085226 428054809 /nfs/dbraw/zinc/05/48/09/428054809.db2.gz XNNCOSQMZZDWCB-AEFFLSMTSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000377085226 428054814 /nfs/dbraw/zinc/05/48/14/428054814.db2.gz XNNCOSQMZZDWCB-AEFFLSMTSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000377085226 428054821 /nfs/dbraw/zinc/05/48/21/428054821.db2.gz XNNCOSQMZZDWCB-AEFFLSMTSA-N 2 1 310.445 2.984 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000413498451 428062803 /nfs/dbraw/zinc/06/28/03/428062803.db2.gz MQSHEVLJXJAPET-QEOTZNIISA-N 2 1 309.498 2.579 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000413498451 428062808 /nfs/dbraw/zinc/06/28/08/428062808.db2.gz MQSHEVLJXJAPET-QEOTZNIISA-N 2 1 309.498 2.579 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@@H]1C ZINC000413498451 428062816 /nfs/dbraw/zinc/06/28/16/428062816.db2.gz MQSHEVLJXJAPET-QEOTZNIISA-N 2 1 309.498 2.579 20 0 DFADMP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@]2(CCCOC2)O1 ZINC000369551754 427997176 /nfs/dbraw/zinc/99/71/76/427997176.db2.gz PKLMMXOQMRUOFL-KURKYZTESA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@]2(CCCOC2)O1 ZINC000369551754 427997179 /nfs/dbraw/zinc/99/71/79/427997179.db2.gz PKLMMXOQMRUOFL-KURKYZTESA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@]2(CCCOC2)O1 ZINC000369551754 427997184 /nfs/dbraw/zinc/99/71/84/427997184.db2.gz PKLMMXOQMRUOFL-KURKYZTESA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@]2(CCCOC2)O1 ZINC000369551754 427997189 /nfs/dbraw/zinc/99/71/89/427997189.db2.gz PKLMMXOQMRUOFL-KURKYZTESA-N 2 1 310.482 2.521 20 0 DFADMP CCOC(=O)CCCC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000369602298 428011693 /nfs/dbraw/zinc/01/16/93/428011693.db2.gz PLQLCKHVBYRTRN-MRXNPFEDSA-N 2 1 319.449 2.857 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000369602298 428011699 /nfs/dbraw/zinc/01/16/99/428011699.db2.gz PLQLCKHVBYRTRN-MRXNPFEDSA-N 2 1 319.449 2.857 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCn1cccn1 ZINC000369907462 428085819 /nfs/dbraw/zinc/08/58/19/428085819.db2.gz YOIQEIBEUQBFBW-PKOBYXMFSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCn1cccn1 ZINC000369907462 428085827 /nfs/dbraw/zinc/08/58/27/428085827.db2.gz YOIQEIBEUQBFBW-PKOBYXMFSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCn1cccn1 ZINC000369907462 428085831 /nfs/dbraw/zinc/08/58/31/428085831.db2.gz YOIQEIBEUQBFBW-PKOBYXMFSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCn1cccn1 ZINC000369907462 428085835 /nfs/dbraw/zinc/08/58/35/428085835.db2.gz YOIQEIBEUQBFBW-PKOBYXMFSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[N@@H+](CCCCC(F)(F)F)CCN1C1CC[NH+](C)CC1 ZINC000369908301 428087534 /nfs/dbraw/zinc/08/75/34/428087534.db2.gz LFCAIERTUJCFEM-CQSZACIVSA-N 2 1 321.431 2.819 20 0 DFADMP COc1ccc2c(c1)[C@H](N[C@H]1C[C@@H](C)[N@@H+](C3CC3)C1)CCO2 ZINC000341553073 428100433 /nfs/dbraw/zinc/10/04/33/428100433.db2.gz MYORYMSOGGVVAH-IIYDPXPESA-N 2 1 302.418 2.734 20 0 DFADMP COc1ccc2c(c1)[C@H](N[C@H]1C[C@@H](C)[N@H+](C3CC3)C1)CCO2 ZINC000341553073 428100438 /nfs/dbraw/zinc/10/04/38/428100438.db2.gz MYORYMSOGGVVAH-IIYDPXPESA-N 2 1 302.418 2.734 20 0 DFADMP CSC1(C[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000377321892 428107050 /nfs/dbraw/zinc/10/70/50/428107050.db2.gz MEABDHBRAOFXNL-UHFFFAOYSA-N 2 1 311.520 2.895 20 0 DFADMP Cc1cnc(CN2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000377337835 428107905 /nfs/dbraw/zinc/10/79/05/428107905.db2.gz QLTUFSBPLDFDCV-QZTJIDSGSA-N 2 1 311.429 2.937 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853929 428112045 /nfs/dbraw/zinc/11/20/45/428112045.db2.gz PRKPBSFVDZVJOD-WCQYABFASA-N 2 1 302.340 2.797 20 0 DFADMP CC[NH+](CC)CCN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370022529 428114201 /nfs/dbraw/zinc/11/42/01/428114201.db2.gz STRGYVGRACPXGR-MRXNPFEDSA-N 2 1 304.482 2.741 20 0 DFADMP C[C@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000341580889 428114828 /nfs/dbraw/zinc/11/48/28/428114828.db2.gz ARLCCBDHJREVKY-IBGZPJMESA-N 2 1 320.452 2.583 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)s1 ZINC000360022208 428120415 /nfs/dbraw/zinc/12/04/15/428120415.db2.gz XKRAJNIFKPINJU-YPMHNXCESA-N 2 1 320.462 2.503 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000360022207 428120653 /nfs/dbraw/zinc/12/06/53/428120653.db2.gz XKRAJNIFKPINJU-WCQYABFASA-N 2 1 320.462 2.503 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000356321554 428124413 /nfs/dbraw/zinc/12/44/13/428124413.db2.gz QJASRKWRORFTIO-WMZOPIPTSA-N 2 1 307.526 2.937 20 0 DFADMP C[C@H]1[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000346322115 428126066 /nfs/dbraw/zinc/12/60/66/428126066.db2.gz HLDGYWFVASSYNM-LPHOPBHVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@H+]1C ZINC000346322115 428126072 /nfs/dbraw/zinc/12/60/72/428126072.db2.gz HLDGYWFVASSYNM-LPHOPBHVSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346338567 428132122 /nfs/dbraw/zinc/13/21/22/428132122.db2.gz RDGYAAUTRVNHOM-OTWHNJEPSA-N 2 1 316.489 2.847 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346338567 428132127 /nfs/dbraw/zinc/13/21/27/428132127.db2.gz RDGYAAUTRVNHOM-OTWHNJEPSA-N 2 1 316.489 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346338567 428132131 /nfs/dbraw/zinc/13/21/31/428132131.db2.gz RDGYAAUTRVNHOM-OTWHNJEPSA-N 2 1 316.489 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000346338567 428132136 /nfs/dbraw/zinc/13/21/36/428132136.db2.gz RDGYAAUTRVNHOM-OTWHNJEPSA-N 2 1 316.489 2.847 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352540630 428141066 /nfs/dbraw/zinc/14/10/66/428141066.db2.gz NOZLFLMUNDRITP-GOSISDBHSA-N 2 1 314.408 2.791 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352540630 428141072 /nfs/dbraw/zinc/14/10/72/428141072.db2.gz NOZLFLMUNDRITP-GOSISDBHSA-N 2 1 314.408 2.791 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000360077138 428149071 /nfs/dbraw/zinc/14/90/71/428149071.db2.gz XVILTEOMQWFNFJ-QGZVFWFLSA-N 2 1 311.514 2.689 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000341686178 428156386 /nfs/dbraw/zinc/15/63/86/428156386.db2.gz BVXSUNHREPOXGK-CQSZACIVSA-N 2 1 321.852 2.519 20 0 DFADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000377559149 428159741 /nfs/dbraw/zinc/15/97/41/428159741.db2.gz CPIRAXIEBIKVCG-HCXYKTFWSA-N 2 1 300.446 2.526 20 0 DFADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000377559149 428159746 /nfs/dbraw/zinc/15/97/46/428159746.db2.gz CPIRAXIEBIKVCG-HCXYKTFWSA-N 2 1 300.446 2.526 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C3CCSCC3)C2)nc(C)[nH+]1 ZINC000360095774 428160117 /nfs/dbraw/zinc/16/01/17/428160117.db2.gz NMRSQXWHFAODRF-OAHLLOKOSA-N 2 1 306.479 2.547 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)C[C@@H]1C ZINC000360114632 428169029 /nfs/dbraw/zinc/16/90/29/428169029.db2.gz HZLXISVFZOWYGK-JKSUJKDBSA-N 2 1 307.457 2.672 20 0 DFADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000370422766 428207678 /nfs/dbraw/zinc/20/76/78/428207678.db2.gz SGNHAVWSDZZADM-KCITZHQASA-N 2 1 317.477 2.930 20 0 DFADMP Cc1cncc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)c1 ZINC000370422766 428207680 /nfs/dbraw/zinc/20/76/80/428207680.db2.gz SGNHAVWSDZZADM-KCITZHQASA-N 2 1 317.477 2.930 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC000414113701 428208540 /nfs/dbraw/zinc/20/85/40/428208540.db2.gz KZGOZWRWZCAIHD-SJORKVTESA-N 2 1 320.477 2.747 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414124204 428210977 /nfs/dbraw/zinc/21/09/77/428210977.db2.gz PFNULSHGRKVQOZ-NVXWUHKLSA-N 2 1 305.466 2.731 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc2C1 ZINC000352701203 428211923 /nfs/dbraw/zinc/21/19/23/428211923.db2.gz GEROWUDDGLGQKV-IBGZPJMESA-N 2 1 317.477 2.800 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc2C1 ZINC000352701203 428211926 /nfs/dbraw/zinc/21/19/26/428211926.db2.gz GEROWUDDGLGQKV-IBGZPJMESA-N 2 1 317.477 2.800 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(C)c1 ZINC000414123114 428212880 /nfs/dbraw/zinc/21/28/80/428212880.db2.gz OFUAEYOAMVAWQG-QGZVFWFLSA-N 2 1 319.493 2.682 20 0 DFADMP Cn1cnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000414131298 428214194 /nfs/dbraw/zinc/21/41/94/428214194.db2.gz YYHPHFFDQSSRGT-ACDBMABISA-N 2 1 324.472 2.748 20 0 DFADMP C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000414140133 428217522 /nfs/dbraw/zinc/21/75/22/428217522.db2.gz IUPLBFFCHPWLNZ-LPHOPBHVSA-N 2 1 316.489 2.990 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352768485 428241070 /nfs/dbraw/zinc/24/10/70/428241070.db2.gz GAHSRQSTQVOSCU-UHFFFAOYSA-N 2 1 315.461 2.940 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)o1 ZINC000414168673 428222993 /nfs/dbraw/zinc/22/29/93/428222993.db2.gz APFWJWSTRAGNRD-ZDUSSCGKSA-N 2 1 303.406 2.774 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCO3)CC2)oc1C ZINC000346568588 428223163 /nfs/dbraw/zinc/22/31/63/428223163.db2.gz UOBKUZGVJIQNSL-WMLDXEAASA-N 2 1 321.465 2.661 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CCNCc1ncc(C[NH+](C)C)s1 ZINC000352747175 428228859 /nfs/dbraw/zinc/22/88/59/428228859.db2.gz DQSHRCZWZGTVGC-AWEZNQCLSA-N 2 1 310.511 2.559 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNCc1ncc(C[NH+](C)C)s1 ZINC000352747175 428228867 /nfs/dbraw/zinc/22/88/67/428228867.db2.gz DQSHRCZWZGTVGC-AWEZNQCLSA-N 2 1 310.511 2.559 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCCC3)s1 ZINC000352757605 428234721 /nfs/dbraw/zinc/23/47/21/428234721.db2.gz GCMYTGGFIVZKHE-IMJJTQAJSA-N 2 1 321.490 2.642 20 0 DFADMP CCC1(CC)[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H]1OC ZINC000352756734 428235795 /nfs/dbraw/zinc/23/57/95/428235795.db2.gz CSDKMDXBSGKRQL-ZIAGYGMSSA-N 2 1 311.495 2.888 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000377831707 428238634 /nfs/dbraw/zinc/23/86/34/428238634.db2.gz AQKCQMUTLVKDOJ-ZBFHGGJFSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000377831707 428238640 /nfs/dbraw/zinc/23/86/40/428238640.db2.gz AQKCQMUTLVKDOJ-ZBFHGGJFSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000377831707 428238644 /nfs/dbraw/zinc/23/86/44/428238644.db2.gz AQKCQMUTLVKDOJ-ZBFHGGJFSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000377831707 428238649 /nfs/dbraw/zinc/23/86/49/428238649.db2.gz AQKCQMUTLVKDOJ-ZBFHGGJFSA-N 2 1 322.522 2.905 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)cn1 ZINC000414075259 428197952 /nfs/dbraw/zinc/19/79/52/428197952.db2.gz XNEMSQLFKZHOMZ-WBVHZDCISA-N 2 1 305.466 2.731 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414077031 428198100 /nfs/dbraw/zinc/19/81/00/428198100.db2.gz YRYWKYTZNYRLNA-GJZGRUSLSA-N 2 1 300.487 2.527 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CCOCC1 ZINC000414079348 428201067 /nfs/dbraw/zinc/20/10/67/428201067.db2.gz BZVIJADZQHPZOL-GJZGRUSLSA-N 2 1 312.498 2.669 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC[C@@H]3CCCO3)C1)CCCC2 ZINC000346519442 428204711 /nfs/dbraw/zinc/20/47/11/428204711.db2.gz AQUOVBOQMYMSGM-CVEARBPZSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC[C@@H]3CCCO3)C1)CCCC2 ZINC000346519442 428204715 /nfs/dbraw/zinc/20/47/15/428204715.db2.gz AQUOVBOQMYMSGM-CVEARBPZSA-N 2 1 303.450 2.886 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000370654439 428265494 /nfs/dbraw/zinc/26/54/94/428265494.db2.gz SXDWUJSLRVHVMF-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000370654439 428265497 /nfs/dbraw/zinc/26/54/97/428265497.db2.gz SXDWUJSLRVHVMF-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000370654439 428265501 /nfs/dbraw/zinc/26/55/01/428265501.db2.gz SXDWUJSLRVHVMF-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377948621 428269087 /nfs/dbraw/zinc/26/90/87/428269087.db2.gz UCJGMDOPJQSADM-UTRMSSBJSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377948621 428269089 /nfs/dbraw/zinc/26/90/89/428269089.db2.gz UCJGMDOPJQSADM-UTRMSSBJSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377948621 428269093 /nfs/dbraw/zinc/26/90/93/428269093.db2.gz UCJGMDOPJQSADM-UTRMSSBJSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000377948621 428269096 /nfs/dbraw/zinc/26/90/96/428269096.db2.gz UCJGMDOPJQSADM-UTRMSSBJSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000370695412 428275345 /nfs/dbraw/zinc/27/53/45/428275345.db2.gz AFFIDKZXOIEKPC-UYAOXDASSA-N 2 1 315.505 2.761 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346693727 428276054 /nfs/dbraw/zinc/27/60/54/428276054.db2.gz PFAIVMRYZCGNGE-CHWSQXEVSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000346695075 428276815 /nfs/dbraw/zinc/27/68/15/428276815.db2.gz YDBLGJJMWMTTHG-DGCLKSJQSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000346692535 428277942 /nfs/dbraw/zinc/27/79/42/428277942.db2.gz ZSVNDWAVDNDHCU-CVEARBPZSA-N 2 1 311.429 2.830 20 0 DFADMP CSc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000352856445 428281261 /nfs/dbraw/zinc/28/12/61/428281261.db2.gz WUTPNJTWSFDDBZ-CYBMUJFWSA-N 2 1 314.520 2.797 20 0 DFADMP OC[C@@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000370723185 428284399 /nfs/dbraw/zinc/28/43/99/428284399.db2.gz SOYVSQARKFCKMP-CVEARBPZSA-N 2 1 311.429 2.660 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccc(C)nn3)C1)CCCC2 ZINC000414426249 428291518 /nfs/dbraw/zinc/29/15/18/428291518.db2.gz BXHLASXPYVQZRX-MRXNPFEDSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccc(C)nn3)C1)CCCC2 ZINC000414426249 428291522 /nfs/dbraw/zinc/29/15/22/428291522.db2.gz BXHLASXPYVQZRX-MRXNPFEDSA-N 2 1 311.433 2.616 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@@H]21 ZINC000342076567 428292548 /nfs/dbraw/zinc/29/25/48/428292548.db2.gz AKEJWFZNOVEKIK-GBESFXJTSA-N 2 1 302.462 2.695 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCCOCCc3ccccc3)C[C@H]21 ZINC000342076568 428293639 /nfs/dbraw/zinc/29/36/39/428293639.db2.gz AKEJWFZNOVEKIK-GUDVDZBRSA-N 2 1 302.462 2.695 20 0 DFADMP C[C@H](F)CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352882258 428293919 /nfs/dbraw/zinc/29/39/19/428293919.db2.gz GWOUHNWTVIJJIL-HKUYNNGSSA-N 2 1 319.468 2.627 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000377840950 428243485 /nfs/dbraw/zinc/24/34/85/428243485.db2.gz XGZADXOOJIMOGX-CZUORRHYSA-N 2 1 300.406 2.586 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c2O1 ZINC000414274075 428247368 /nfs/dbraw/zinc/24/73/68/428247368.db2.gz PHHGJYFAERZHRM-LLVKDONJSA-N 2 1 310.344 2.582 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2O1 ZINC000414274075 428247372 /nfs/dbraw/zinc/24/73/72/428247372.db2.gz PHHGJYFAERZHRM-LLVKDONJSA-N 2 1 310.344 2.582 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@H]2CCCC[C@@H]2O)s1 ZINC000352789200 428247698 /nfs/dbraw/zinc/24/76/98/428247698.db2.gz MWCNHVPOSRSCRH-HIFRSBDPSA-N 2 1 311.495 2.626 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000414275039 428247811 /nfs/dbraw/zinc/24/78/11/428247811.db2.gz VVJLBYPXEWPYMD-ATZDWAIDSA-N 2 1 302.462 2.912 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)C1CC1 ZINC000414275039 428247814 /nfs/dbraw/zinc/24/78/14/428247814.db2.gz VVJLBYPXEWPYMD-ATZDWAIDSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000346631807 428248519 /nfs/dbraw/zinc/24/85/19/428248519.db2.gz CLJRWHUBONXJOX-SWLSCSKDSA-N 2 1 316.424 2.797 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000346640204 428251226 /nfs/dbraw/zinc/25/12/26/428251226.db2.gz KWMVVWODHIRGSK-DOTOQJQBSA-N 2 1 311.429 2.830 20 0 DFADMP CCc1nc(NC[C@H](c2ccco2)[NH+](CC)CC)cc(C)[nH+]1 ZINC000341931154 428251758 /nfs/dbraw/zinc/25/17/58/428251758.db2.gz QUTWSGQBDQWFET-CQSZACIVSA-N 2 1 302.422 3.435 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000346640205 428251888 /nfs/dbraw/zinc/25/18/88/428251888.db2.gz KWMVVWODHIRGSK-NVXWUHKLSA-N 2 1 311.429 2.830 20 0 DFADMP CC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)COC1 ZINC000352815934 428260313 /nfs/dbraw/zinc/26/03/13/428260313.db2.gz MBOLMDXCIHZCJE-LJQANCHMSA-N 2 1 300.446 2.621 20 0 DFADMP CC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)COC1 ZINC000352815934 428260319 /nfs/dbraw/zinc/26/03/19/428260319.db2.gz MBOLMDXCIHZCJE-LJQANCHMSA-N 2 1 300.446 2.621 20 0 DFADMP CC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)COC1 ZINC000352815934 428260326 /nfs/dbraw/zinc/26/03/26/428260326.db2.gz MBOLMDXCIHZCJE-LJQANCHMSA-N 2 1 300.446 2.621 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414344231 428262302 /nfs/dbraw/zinc/26/23/02/428262302.db2.gz KIVZSCKUVKEFLM-KYJSFNMBSA-N 2 1 305.441 2.724 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114263 428306449 /nfs/dbraw/zinc/30/64/49/428306449.db2.gz CDQOBYUCRXUOLQ-AEGPPILISA-N 2 1 316.424 2.755 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342114263 428306451 /nfs/dbraw/zinc/30/64/51/428306451.db2.gz CDQOBYUCRXUOLQ-AEGPPILISA-N 2 1 316.424 2.755 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000378126014 428314505 /nfs/dbraw/zinc/31/45/05/428314505.db2.gz AARGBPUSSBRYQQ-DFQSSKMNSA-N 2 1 319.537 2.938 20 0 DFADMP C[N@H+](CCC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000342134171 428315551 /nfs/dbraw/zinc/31/55/51/428315551.db2.gz QBTILFQXWQFMQF-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP C[N@@H+](CCC(C)(C)C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000342134171 428315554 /nfs/dbraw/zinc/31/55/54/428315554.db2.gz QBTILFQXWQFMQF-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](CCC(C)(C)C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342134171 428315559 /nfs/dbraw/zinc/31/55/59/428315559.db2.gz QBTILFQXWQFMQF-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](CCC(C)(C)C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000342134171 428315561 /nfs/dbraw/zinc/31/55/61/428315561.db2.gz QBTILFQXWQFMQF-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CN1CC[C@@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@H]2C1 ZINC000352928165 428317468 /nfs/dbraw/zinc/31/74/68/428317468.db2.gz CBUGUSHTVZBMOT-WBVHZDCISA-N 2 1 300.446 2.926 20 0 DFADMP CN1CC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@H]2C1 ZINC000352928165 428317470 /nfs/dbraw/zinc/31/74/70/428317470.db2.gz CBUGUSHTVZBMOT-WBVHZDCISA-N 2 1 300.446 2.926 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCS2)[C@@H](C)C1 ZINC000346786498 428318412 /nfs/dbraw/zinc/31/84/12/428318412.db2.gz CXNIQYROECFKAW-ULQDDVLXSA-N 2 1 314.539 2.999 20 0 DFADMP Cc1nc(NC[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)c(C)c(C)[nH+]1 ZINC000378157845 428321503 /nfs/dbraw/zinc/32/15/03/428321503.db2.gz IUEHXLBNXGZNKL-HOCLYGCPSA-N 2 1 316.474 3.568 20 0 DFADMP Cc1nc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)c(C)c(C)[nH+]1 ZINC000378157845 428321509 /nfs/dbraw/zinc/32/15/09/428321509.db2.gz IUEHXLBNXGZNKL-HOCLYGCPSA-N 2 1 316.474 3.568 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@@H+](C)CC12CCCCC2 ZINC000356822246 428323698 /nfs/dbraw/zinc/32/36/98/428323698.db2.gz SXIFFCICYHCBAK-OAHLLOKOSA-N 2 1 309.498 2.630 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]21 ZINC000346823066 428332470 /nfs/dbraw/zinc/33/24/70/428332470.db2.gz KEERQLXTSXHVIZ-KBRIMQKVSA-N 2 1 314.408 2.775 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000356844005 428335251 /nfs/dbraw/zinc/33/52/51/428335251.db2.gz LYIPOGOZOBEQEA-GJZGRUSLSA-N 2 1 319.415 2.620 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@H]12 ZINC000346845125 428342867 /nfs/dbraw/zinc/34/28/67/428342867.db2.gz ZIFHWXLYNQEKDZ-GMXVVIOVSA-N 2 1 300.324 2.596 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@H]12 ZINC000346845125 428342870 /nfs/dbraw/zinc/34/28/70/428342870.db2.gz ZIFHWXLYNQEKDZ-GMXVVIOVSA-N 2 1 300.324 2.596 20 0 DFADMP CCc1cccnc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000356868903 428343437 /nfs/dbraw/zinc/34/34/37/428343437.db2.gz NNQYUIHUJNYPAR-MRXNPFEDSA-N 2 1 318.509 2.568 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC ZINC000346851091 428345251 /nfs/dbraw/zinc/34/52/51/428345251.db2.gz QEGJQCABTNCIPE-XHSDSOJGSA-N 2 1 304.434 2.653 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)sc1Br ZINC000346857448 428347176 /nfs/dbraw/zinc/34/71/76/428347176.db2.gz QPORKVGDQXOEFU-ZMLRMANQSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)sc1Br ZINC000346857448 428347183 /nfs/dbraw/zinc/34/71/83/428347183.db2.gz QPORKVGDQXOEFU-ZMLRMANQSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)sc1Br ZINC000346857447 428347377 /nfs/dbraw/zinc/34/73/77/428347377.db2.gz QPORKVGDQXOEFU-WCQGTBRESA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)sc1Br ZINC000346857447 428347383 /nfs/dbraw/zinc/34/73/83/428347383.db2.gz QPORKVGDQXOEFU-WCQGTBRESA-N 2 1 315.280 2.988 20 0 DFADMP Clc1ccc(CN2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852762 428348113 /nfs/dbraw/zinc/34/81/13/428348113.db2.gz XJFQVDBOGBQSMR-QGZVFWFLSA-N 2 1 321.896 2.847 20 0 DFADMP Clc1ccc(C[N@@H+]2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852762 428348119 /nfs/dbraw/zinc/34/81/19/428348119.db2.gz XJFQVDBOGBQSMR-QGZVFWFLSA-N 2 1 321.896 2.847 20 0 DFADMP Clc1ccc(C[N@H+]2CCCN(C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852762 428348123 /nfs/dbraw/zinc/34/81/23/428348123.db2.gz XJFQVDBOGBQSMR-QGZVFWFLSA-N 2 1 321.896 2.847 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C2CCCCC2)n1 ZINC000346858798 428350063 /nfs/dbraw/zinc/35/00/63/428350063.db2.gz RXYNDGSZDWGMRE-UAGQMJEPSA-N 2 1 302.466 2.637 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCCN1Cc1cn2cccnc2n1 ZINC000371066301 428351986 /nfs/dbraw/zinc/35/19/86/428351986.db2.gz ALXUJSANGHVEBJ-INIZCTEOSA-N 2 1 324.432 2.714 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575541 428354912 /nfs/dbraw/zinc/35/49/12/428354912.db2.gz YXCCFJMIOXEAAF-FXAWDEMLSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575541 428354919 /nfs/dbraw/zinc/35/49/19/428354919.db2.gz YXCCFJMIOXEAAF-FXAWDEMLSA-N 2 1 315.505 2.828 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342102446 428300352 /nfs/dbraw/zinc/30/03/52/428300352.db2.gz MCNULSSWEAUYTI-RYQLBKOJSA-N 2 1 323.440 2.838 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)C[C@@H]21 ZINC000342102446 428300357 /nfs/dbraw/zinc/30/03/57/428300357.db2.gz MCNULSSWEAUYTI-RYQLBKOJSA-N 2 1 323.440 2.838 20 0 DFADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000342101409 428300915 /nfs/dbraw/zinc/30/09/15/428300915.db2.gz KQMCOAXYHPJTPZ-XKQJLSEDSA-N 2 1 306.475 2.847 20 0 DFADMP CSc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342101407 428301888 /nfs/dbraw/zinc/30/18/88/428301888.db2.gz KQMCOAXYHPJTPZ-JQFCIGGWSA-N 2 1 306.475 2.847 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)nc1 ZINC000357098311 428388674 /nfs/dbraw/zinc/38/86/74/428388674.db2.gz AODBMGDJMYIFPO-QZTJIDSGSA-N 2 1 323.440 2.702 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)nc1 ZINC000357098311 428388681 /nfs/dbraw/zinc/38/86/81/428388681.db2.gz AODBMGDJMYIFPO-QZTJIDSGSA-N 2 1 323.440 2.702 20 0 DFADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000357101749 428388714 /nfs/dbraw/zinc/38/87/14/428388714.db2.gz DSVCZCYYTYITIS-CVEARBPZSA-N 2 1 304.434 2.525 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000357101749 428388720 /nfs/dbraw/zinc/38/87/20/428388720.db2.gz DSVCZCYYTYITIS-CVEARBPZSA-N 2 1 304.434 2.525 20 0 DFADMP c1ccc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000357107489 428390329 /nfs/dbraw/zinc/39/03/29/428390329.db2.gz RLYZOEJJYFCXIR-INIZCTEOSA-N 2 1 312.417 2.558 20 0 DFADMP CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414742780 428391667 /nfs/dbraw/zinc/39/16/67/428391667.db2.gz UDAVGBPPDUFJHX-KGLIPLIRSA-N 2 1 321.490 2.667 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000346978377 428392060 /nfs/dbraw/zinc/39/20/60/428392060.db2.gz LELHSZJDCORZIT-CALCHBBNSA-N 2 1 309.498 2.632 20 0 DFADMP COC(=O)CCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414751333 428393454 /nfs/dbraw/zinc/39/34/54/428393454.db2.gz INMTYYYXZNMPIB-SJLPKXTDSA-N 2 1 318.461 2.830 20 0 DFADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000378424007 428393584 /nfs/dbraw/zinc/39/35/84/428393584.db2.gz CZVAHUWVOIZFSY-SFHVURJKSA-N 2 1 321.534 2.965 20 0 DFADMP FC1(F)Oc2cccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2O1 ZINC000414760147 428394134 /nfs/dbraw/zinc/39/41/34/428394134.db2.gz GIZHJPOEUZRAIN-UHFFFAOYSA-N 2 1 310.344 2.584 20 0 DFADMP CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414754285 428394944 /nfs/dbraw/zinc/39/49/44/428394944.db2.gz XMOMIRQVPKLTLS-GOEBONIOSA-N 2 1 322.424 2.579 20 0 DFADMP CCOC(=O)C[N@H+](Cc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414754285 428394949 /nfs/dbraw/zinc/39/49/49/428394949.db2.gz XMOMIRQVPKLTLS-GOEBONIOSA-N 2 1 322.424 2.579 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000378430045 428395668 /nfs/dbraw/zinc/39/56/68/428395668.db2.gz BMDGUKFQFKRVPR-SJORKVTESA-N 2 1 319.468 2.846 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414764410 428396989 /nfs/dbraw/zinc/39/69/89/428396989.db2.gz DJKWEGSKZHIGIJ-BETUJISGSA-N 2 1 318.852 2.658 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(SC)cc1OC ZINC000346992244 428397551 /nfs/dbraw/zinc/39/75/51/428397551.db2.gz ANUKAOCDUCOTQJ-AAEUAGOBSA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)c(SC)cc1OC ZINC000346992244 428397558 /nfs/dbraw/zinc/39/75/58/428397558.db2.gz ANUKAOCDUCOTQJ-AAEUAGOBSA-N 2 1 310.463 2.595 20 0 DFADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773076 428400208 /nfs/dbraw/zinc/40/02/08/428400208.db2.gz CTYDDMYRJAPCLL-FMKPAKJESA-N 2 1 321.490 2.816 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc(C3CCC3)s2)CC12CCOCC2 ZINC000414774122 428401560 /nfs/dbraw/zinc/40/15/60/428401560.db2.gz FHXYUQDHCFFEDD-CQSZACIVSA-N 2 1 321.490 2.598 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774039 428401669 /nfs/dbraw/zinc/40/16/69/428401669.db2.gz FCWZPWGANTXAHT-MSOLQXFVSA-N 2 1 310.445 2.694 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727769 428402003 /nfs/dbraw/zinc/40/20/03/428402003.db2.gz LSZQNDAYFOPQKH-IUODEOHRSA-N 2 1 305.397 2.531 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1[NH3+] ZINC000346998361 428402477 /nfs/dbraw/zinc/40/24/77/428402477.db2.gz CSJVMEBHCOJIBT-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1[NH3+] ZINC000346998361 428402480 /nfs/dbraw/zinc/40/24/80/428402480.db2.gz CSJVMEBHCOJIBT-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP Cn1cc(C[N@H+](C)C2CC([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000414776144 428403613 /nfs/dbraw/zinc/40/36/13/428403613.db2.gz MSRPROMCFFFDLW-UHFFFAOYSA-N 2 1 304.825 2.662 20 0 DFADMP Cn1cc(C[N@@H+](C)C2CC([NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000414776144 428403617 /nfs/dbraw/zinc/40/36/17/428403617.db2.gz MSRPROMCFFFDLW-UHFFFAOYSA-N 2 1 304.825 2.662 20 0 DFADMP Clc1ccc2nc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cn2c1 ZINC000414780374 428403938 /nfs/dbraw/zinc/40/39/38/428403938.db2.gz LKLNUTKXLQLKGE-ZIAGYGMSSA-N 2 1 318.852 2.809 20 0 DFADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781940 428406585 /nfs/dbraw/zinc/40/65/85/428406585.db2.gz NUHPXEQTHHJBAT-HNNXBMFYSA-N 2 1 308.853 2.836 20 0 DFADMP CC[C@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414786290 428410008 /nfs/dbraw/zinc/41/00/08/428410008.db2.gz UMRZBGBLBPWKOV-SJLPKXTDSA-N 2 1 302.462 2.868 20 0 DFADMP c1c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)[nH]nc1-c1ccccc1 ZINC000414789963 428410538 /nfs/dbraw/zinc/41/05/38/428410538.db2.gz ZCTUKYDKRXJXPW-IRXDYDNUSA-N 2 1 310.445 2.898 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786693 428410974 /nfs/dbraw/zinc/41/09/74/428410974.db2.gz UTBATBKSSCSWEW-GJZGRUSLSA-N 2 1 304.434 2.525 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CC2)cc1OCCC(C)C ZINC000414796330 428412596 /nfs/dbraw/zinc/41/25/96/428412596.db2.gz HNVWNDYCVUHIGF-INIZCTEOSA-N 2 1 306.450 2.947 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000378293454 428357105 /nfs/dbraw/zinc/35/71/05/428357105.db2.gz MDKNKYBTXIBZEX-IBGZPJMESA-N 2 1 321.428 2.883 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2[C@@H](n2cccn2)C1 ZINC000378293454 428357108 /nfs/dbraw/zinc/35/71/08/428357108.db2.gz MDKNKYBTXIBZEX-IBGZPJMESA-N 2 1 321.428 2.883 20 0 DFADMP COC(=O)CC[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371099173 428360270 /nfs/dbraw/zinc/36/02/70/428360270.db2.gz LTPKFGPRGJZKRH-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371099173 428360274 /nfs/dbraw/zinc/36/02/74/428360274.db2.gz LTPKFGPRGJZKRH-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371099173 428360278 /nfs/dbraw/zinc/36/02/78/428360278.db2.gz LTPKFGPRGJZKRH-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000414653683 428365367 /nfs/dbraw/zinc/36/53/67/428365367.db2.gz BGQQOVOWPITQNM-WPRPVWTQSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)s1 ZINC000414653683 428365370 /nfs/dbraw/zinc/36/53/70/428365370.db2.gz BGQQOVOWPITQNM-WPRPVWTQSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000414660390 428368257 /nfs/dbraw/zinc/36/82/57/428368257.db2.gz NZJYNIVJLKYDQI-HIFRSBDPSA-N 2 1 316.424 2.879 20 0 DFADMP O=C1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(F)ccc2N1 ZINC000360612335 428368527 /nfs/dbraw/zinc/36/85/27/428368527.db2.gz JFGCIGVDMYXWCO-LZWOXQAQSA-N 2 1 317.408 2.816 20 0 DFADMP O=C1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(F)ccc2N1 ZINC000360612335 428368531 /nfs/dbraw/zinc/36/85/31/428368531.db2.gz JFGCIGVDMYXWCO-LZWOXQAQSA-N 2 1 317.408 2.816 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414675261 428370224 /nfs/dbraw/zinc/37/02/24/428370224.db2.gz FNRRKTCYPFLKAB-CABCVRRESA-N 2 1 306.450 2.832 20 0 DFADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414685148 428375608 /nfs/dbraw/zinc/37/56/08/428375608.db2.gz YEFHZCFRYKHPRR-HOCLYGCPSA-N 2 1 306.450 2.914 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC[NH2+]1 ZINC000414698142 428378405 /nfs/dbraw/zinc/37/84/05/428378405.db2.gz IPPRKZCMOFBPDF-ZHALLVOQSA-N 2 1 301.478 2.975 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357073385 428378651 /nfs/dbraw/zinc/37/86/51/428378651.db2.gz LMMIRYOPPGIWQJ-QWHCGFSZSA-N 2 1 314.351 2.626 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357073385 428378657 /nfs/dbraw/zinc/37/86/57/428378657.db2.gz LMMIRYOPPGIWQJ-QWHCGFSZSA-N 2 1 314.351 2.626 20 0 DFADMP CC[N@H+](CCC1CC[NH+](Cc2nnc(C)o2)CC1)CC1CC1 ZINC000357070691 428380570 /nfs/dbraw/zinc/38/05/70/428380570.db2.gz ADBNDSCJCAQGSN-UHFFFAOYSA-N 2 1 306.454 2.712 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C)o2)CC1)CC1CC1 ZINC000357070691 428380576 /nfs/dbraw/zinc/38/05/76/428380576.db2.gz ADBNDSCJCAQGSN-UHFFFAOYSA-N 2 1 306.454 2.712 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)CC1 ZINC000414700881 428381667 /nfs/dbraw/zinc/38/16/67/428381667.db2.gz ZWRSXPRXBWMCGB-QRVBRYPASA-N 3 1 307.526 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000371338144 428383943 /nfs/dbraw/zinc/38/39/43/428383943.db2.gz YWLDIYUBVYQEKH-MRXNPFEDSA-N 2 1 307.507 2.657 20 0 DFADMP CC(C)n1c2ccccc2nc1[C@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357101248 428387698 /nfs/dbraw/zinc/38/76/98/428387698.db2.gz GZDNCHQPLVSVFN-QGZVFWFLSA-N 2 1 316.449 2.729 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000414857961 428435614 /nfs/dbraw/zinc/43/56/14/428435614.db2.gz GVAPIRKXSZOZJX-UHFFFAOYSA-N 2 1 300.450 2.556 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(-c3cccnc3)n[nH]2)[C@H](C)C1 ZINC000372403464 428439765 /nfs/dbraw/zinc/43/97/65/428439765.db2.gz DCUSKCCOIUBAHG-RDTXWAMCSA-N 2 1 313.449 2.634 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357228213 428442638 /nfs/dbraw/zinc/44/26/38/428442638.db2.gz FPRLUPWSEOYUQV-MXSMSXNCSA-N 2 1 322.518 2.599 20 0 DFADMP CCc1nc(NC2CC[NH+](C3CCCCC3)CC2)cc(C)[nH+]1 ZINC000342846139 428470247 /nfs/dbraw/zinc/47/02/47/428470247.db2.gz IMWGXPSNDZQXQM-UHFFFAOYSA-N 2 1 302.466 3.556 20 0 DFADMP COc1ccccc1C[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414881230 428444976 /nfs/dbraw/zinc/44/49/76/428444976.db2.gz RCAAUDXKHZMQJJ-MRXNPFEDSA-N 2 1 313.445 2.791 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357232342 428445687 /nfs/dbraw/zinc/44/56/87/428445687.db2.gz NTBKFALWPOROAK-NJAFHUGGSA-N 2 1 322.518 2.601 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC(F)F ZINC000414892602 428446434 /nfs/dbraw/zinc/44/64/34/428446434.db2.gz JLSZXNFSUUATRD-LBPRGKRZSA-N 2 1 300.349 2.514 20 0 DFADMP Fc1cncc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000347104823 428446749 /nfs/dbraw/zinc/44/67/49/428446749.db2.gz TYHPPJDFUFVKPU-HDICACEKSA-N 2 1 311.404 2.785 20 0 DFADMP [NH3+][C@H](C[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000414888992 428447359 /nfs/dbraw/zinc/44/73/59/428447359.db2.gz FUYSXBFJULUQFZ-QGZVFWFLSA-N 2 1 306.413 2.852 20 0 DFADMP C[NH+](C)CCOc1ccccc1CNc1[nH]c2ccccc2[nH+]1 ZINC000357236703 428449298 /nfs/dbraw/zinc/44/92/98/428449298.db2.gz FIYNZQNBVYVHGC-UHFFFAOYSA-N 2 1 310.401 2.537 20 0 DFADMP C[C@@]1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CCC[NH2+]C1 ZINC000414899484 428449774 /nfs/dbraw/zinc/44/97/74/428449774.db2.gz HEAVANRZCKSXOW-MRXNPFEDSA-N 2 1 304.463 2.753 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000360824906 428453640 /nfs/dbraw/zinc/45/36/40/428453640.db2.gz KOBQRERZHKSJPP-ZWKOTPCHSA-N 2 1 310.445 2.804 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000360824906 428453642 /nfs/dbraw/zinc/45/36/42/428453642.db2.gz KOBQRERZHKSJPP-ZWKOTPCHSA-N 2 1 310.445 2.804 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000414910473 428455803 /nfs/dbraw/zinc/45/58/03/428455803.db2.gz CWVVMCQWEUXFCP-HKUYNNGSSA-N 2 1 301.478 2.553 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414910473 428455808 /nfs/dbraw/zinc/45/58/08/428455808.db2.gz CWVVMCQWEUXFCP-HKUYNNGSSA-N 3 1 301.478 2.553 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414919950 428458058 /nfs/dbraw/zinc/45/80/58/428458058.db2.gz WELUXXAEMXGLNQ-MRXNPFEDSA-N 2 1 302.397 2.552 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414928175 428459382 /nfs/dbraw/zinc/45/93/82/428459382.db2.gz MPIAIXSJBFSYEG-QFMLELGNSA-N 2 1 313.489 2.770 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000342801234 428460401 /nfs/dbraw/zinc/46/04/01/428460401.db2.gz WPTVRFSZXFGIKW-OGWOLHLISA-N 2 1 317.477 2.513 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000342801234 428460411 /nfs/dbraw/zinc/46/04/11/428460411.db2.gz WPTVRFSZXFGIKW-OGWOLHLISA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414923003 428460459 /nfs/dbraw/zinc/46/04/59/428460459.db2.gz DODOZGQHLNREAD-CVEARBPZSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000414925375 428460729 /nfs/dbraw/zinc/46/07/29/428460729.db2.gz JMYCNDSUAAGHTJ-RWQQGDIJSA-N 2 1 301.478 2.627 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000414942463 428464412 /nfs/dbraw/zinc/46/44/12/428464412.db2.gz DNHCKZQGFYNKSQ-CMPLNLGQSA-N 2 1 313.239 2.688 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(SC)cc1OC ZINC000414945683 428465122 /nfs/dbraw/zinc/46/51/22/428465122.db2.gz IQYQIBYOSOUPJN-DGCLKSJQSA-N 2 1 310.463 2.656 20 0 DFADMP COC[C@@]1(C[NH2+][C@@H](C)Cc2ccccc2SC)CCC[NH2+]1 ZINC000414944669 428466874 /nfs/dbraw/zinc/46/68/74/428466874.db2.gz OIJJWAWDEMGQMG-YOEHRIQHSA-N 2 1 308.491 2.698 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414953239 428468682 /nfs/dbraw/zinc/46/86/82/428468682.db2.gz JJVYURCSTUFQGD-RNCFNFMXSA-N 2 1 301.203 2.676 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342845832 428469481 /nfs/dbraw/zinc/46/94/81/428469481.db2.gz XUQMOTSOFTZQJF-MSOLQXFVSA-N 2 1 312.417 2.719 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000347031510 428414935 /nfs/dbraw/zinc/41/49/35/428414935.db2.gz CCYXPOSHNMYLGL-GJZGRUSLSA-N 2 1 311.514 2.780 20 0 DFADMP COc1ccc(Cl)cc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414799190 428415314 /nfs/dbraw/zinc/41/53/14/428415314.db2.gz ZYAVPNJTFLWMHP-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(Cl)cc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414799190 428415318 /nfs/dbraw/zinc/41/53/18/428415318.db2.gz ZYAVPNJTFLWMHP-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2Cc3ccccc32)C1 ZINC000347034918 428415409 /nfs/dbraw/zinc/41/54/09/428415409.db2.gz PBUXQJFXISPRJW-ZWKOTPCHSA-N 2 1 302.462 2.759 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360863016 428469684 /nfs/dbraw/zinc/46/96/84/428469684.db2.gz YNTBNEKJNHEZSW-HLIPFELVSA-N 2 1 324.472 2.908 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360863016 428469687 /nfs/dbraw/zinc/46/96/87/428469687.db2.gz YNTBNEKJNHEZSW-HLIPFELVSA-N 2 1 324.472 2.908 20 0 DFADMP CC(C)(C)C(=O)N1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000414804068 428417196 /nfs/dbraw/zinc/41/71/96/428417196.db2.gz KIZWSNHHQPGBEI-UHFFFAOYSA-N 2 1 323.525 2.926 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+]CC(C)(C)[NH3+])cc2)cs1 ZINC000414808799 428418472 /nfs/dbraw/zinc/41/84/72/428418472.db2.gz TYPAYOUADAMSGB-UHFFFAOYSA-N 2 1 305.447 2.857 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347037975 428418608 /nfs/dbraw/zinc/41/86/08/428418608.db2.gz HXYYARSOKIAIOY-AUUYWEPGSA-N 2 1 312.461 2.717 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000347037975 428418611 /nfs/dbraw/zinc/41/86/11/428418611.db2.gz HXYYARSOKIAIOY-AUUYWEPGSA-N 2 1 312.461 2.717 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cccc(O)c1Br ZINC000414807085 428419035 /nfs/dbraw/zinc/41/90/35/428419035.db2.gz QSGIZJBQOOEPEM-JQWIXIFHSA-N 2 1 313.239 2.762 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1Cl ZINC000414812197 428419211 /nfs/dbraw/zinc/41/92/11/428419211.db2.gz XCGNQIKUHWTRGU-IAQYHMDHSA-N 2 1 309.841 2.692 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414819104 428421487 /nfs/dbraw/zinc/42/14/87/428421487.db2.gz XURQOLRUKIVRMW-SJPCQFCGSA-N 2 1 314.408 2.692 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414812268 428422870 /nfs/dbraw/zinc/42/28/70/428422870.db2.gz QXUQGMLCTVYLGL-UHFFFAOYSA-N 2 1 300.406 2.876 20 0 DFADMP OC1(C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000342373874 428423473 /nfs/dbraw/zinc/42/34/73/428423473.db2.gz KXIKOGPXFMOEAZ-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP OC1(C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000342373874 428423476 /nfs/dbraw/zinc/42/34/76/428423476.db2.gz KXIKOGPXFMOEAZ-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP OC1(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000342373874 428423481 /nfs/dbraw/zinc/42/34/81/428423481.db2.gz KXIKOGPXFMOEAZ-IBGZPJMESA-N 2 1 314.473 2.890 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347053547 428427078 /nfs/dbraw/zinc/42/70/78/428427078.db2.gz SNMMOPQDOHPRLF-GDBMZVCRSA-N 2 1 306.450 2.791 20 0 DFADMP c1cn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)c(C3CC3)nc2s1 ZINC000414840170 428429007 /nfs/dbraw/zinc/42/90/07/428429007.db2.gz YAQSGJIOQVTWGH-FUNVUKJBSA-N 2 1 302.447 2.646 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCC1([NH3+])CCCCC1 ZINC000414837890 428431131 /nfs/dbraw/zinc/43/11/31/428431131.db2.gz HHNLLOBCATXBNO-SJLPKXTDSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000414837890 428431136 /nfs/dbraw/zinc/43/11/36/428431136.db2.gz HHNLLOBCATXBNO-SJLPKXTDSA-N 2 1 301.478 2.758 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347062624 428431551 /nfs/dbraw/zinc/43/15/51/428431551.db2.gz ZXMMTAKVQSZUIM-HIFRSBDPSA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347062624 428431554 /nfs/dbraw/zinc/43/15/54/428431554.db2.gz ZXMMTAKVQSZUIM-HIFRSBDPSA-N 2 1 322.449 2.662 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414984273 428480172 /nfs/dbraw/zinc/48/01/72/428480172.db2.gz GBLNXXKNRUTDPE-OAHLLOKOSA-N 2 1 313.449 2.887 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000342893359 428481967 /nfs/dbraw/zinc/48/19/67/428481967.db2.gz QWLBHHYRVQHYKQ-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC(C)(C)c2cc(OC)ccc21 ZINC000353317942 428482756 /nfs/dbraw/zinc/48/27/56/428482756.db2.gz ZBNKTSFHCGUXAT-SFHVURJKSA-N 2 1 320.477 2.976 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000415009191 428488390 /nfs/dbraw/zinc/48/83/90/428488390.db2.gz DXSWCMHLIMOMLM-INIZCTEOSA-N 3 1 321.484 2.940 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)CCCC[NH3+])sc2C1 ZINC000415006839 428488399 /nfs/dbraw/zinc/48/83/99/428488399.db2.gz AMYYZPZFMNVFLE-CYBMUJFWSA-N 3 1 310.511 2.517 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)CCCC[NH3+])sc2C1 ZINC000415006839 428488402 /nfs/dbraw/zinc/48/84/02/428488402.db2.gz AMYYZPZFMNVFLE-CYBMUJFWSA-N 3 1 310.511 2.517 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000415008009 428488435 /nfs/dbraw/zinc/48/84/35/428488435.db2.gz VLJKWJHOFMYBPG-DJIMGWMZSA-N 2 1 323.431 2.626 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1cccc(Br)c1 ZINC000415014076 428490643 /nfs/dbraw/zinc/49/06/43/428490643.db2.gz ZGHFFPMDPKNQNL-NSHDSACASA-N 2 1 319.193 2.784 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415027733 428493307 /nfs/dbraw/zinc/49/33/07/428493307.db2.gz BKTHBBPWOZADAF-NXWXRZEISA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415027733 428493314 /nfs/dbraw/zinc/49/33/14/428493314.db2.gz BKTHBBPWOZADAF-NXWXRZEISA-N 3 1 301.478 2.757 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000415028128 428493991 /nfs/dbraw/zinc/49/39/91/428493991.db2.gz CGQGNQZLJCDPNL-MJIXASBWSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000415028128 428493998 /nfs/dbraw/zinc/49/39/98/428493998.db2.gz CGQGNQZLJCDPNL-MJIXASBWSA-N 2 1 313.489 2.899 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035642 428494901 /nfs/dbraw/zinc/49/49/01/428494901.db2.gz DXYSCHHNODEASE-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP CC(=O)Nc1cccc2c1CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000372735717 428495032 /nfs/dbraw/zinc/49/50/32/428495032.db2.gz AJKHQBBQHTYGKC-UHFFFAOYSA-N 2 1 312.417 2.598 20 0 DFADMP CC(=O)Nc1cccc2c1CC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000372735717 428495039 /nfs/dbraw/zinc/49/50/39/428495039.db2.gz AJKHQBBQHTYGKC-UHFFFAOYSA-N 2 1 312.417 2.598 20 0 DFADMP C[N@@H+](Cc1ccc(-c2ccccc2Cl)s1)C[C@H](O)C[NH3+] ZINC000415047102 428497181 /nfs/dbraw/zinc/49/71/81/428497181.db2.gz AHFNXRUVEFGHTN-LLVKDONJSA-N 2 1 310.850 2.820 20 0 DFADMP C[N@H+](Cc1ccc(-c2ccccc2Cl)s1)C[C@H](O)C[NH3+] ZINC000415047102 428497185 /nfs/dbraw/zinc/49/71/85/428497185.db2.gz AHFNXRUVEFGHTN-LLVKDONJSA-N 2 1 310.850 2.820 20 0 DFADMP CCc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000372740266 428498287 /nfs/dbraw/zinc/49/82/87/428498287.db2.gz MFMDKIINDAHUKY-FQEVSTJZSA-N 2 1 315.505 2.849 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415049612 428500639 /nfs/dbraw/zinc/50/06/39/428500639.db2.gz DRQLBFOKOQFHQY-DNVCBOLYSA-N 2 1 312.461 2.812 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000396490106 428501185 /nfs/dbraw/zinc/50/11/85/428501185.db2.gz BZOVAFNQCKZGGB-GOSISDBHSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000396573875 428501898 /nfs/dbraw/zinc/50/18/98/428501898.db2.gz BOENFCLBRXKJDU-FAJAVTLNSA-N 2 1 313.489 2.627 20 0 DFADMP c1cn(Cc2ccccc2)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000347227784 428503556 /nfs/dbraw/zinc/50/35/56/428503556.db2.gz WJMDTHJAEOHPHX-LJQANCHMSA-N 2 1 324.472 2.895 20 0 DFADMP COc1ccc(CC[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1O ZINC000415058441 428504277 /nfs/dbraw/zinc/50/42/77/428504277.db2.gz RRBUBWVACBYJEM-HBUWYVDXSA-N 2 1 306.450 2.639 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000415058944 428504702 /nfs/dbraw/zinc/50/47/02/428504702.db2.gz SMIXBRHIUGBSEP-PMUMKWKESA-N 2 1 308.441 2.930 20 0 DFADMP C[C@H](CCc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058500 428504878 /nfs/dbraw/zinc/50/48/78/428504878.db2.gz SZYPWQLMIHSQSN-QHGAOEGBSA-N 2 1 315.505 2.814 20 0 DFADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)ccc1OC(F)F ZINC000415060819 428506483 /nfs/dbraw/zinc/50/64/83/428506483.db2.gz YXDBLULCOBHBIQ-ZDUSSCGKSA-N 2 1 314.376 2.904 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000397338209 428508635 /nfs/dbraw/zinc/50/86/35/428508635.db2.gz CLDUSZJNSPYPAX-MGPQQGTHSA-N 2 1 323.868 2.974 20 0 DFADMP C[N@@H+](Cc1ccc(Sc2ccccc2)cc1)C[C@H](O)C[NH3+] ZINC000415067070 428508982 /nfs/dbraw/zinc/50/89/82/428508982.db2.gz JYYCVDFODLCQRV-OAHLLOKOSA-N 2 1 302.443 2.589 20 0 DFADMP C[N@H+](Cc1ccc(Sc2ccccc2)cc1)C[C@H](O)C[NH3+] ZINC000415067070 428508987 /nfs/dbraw/zinc/50/89/87/428508987.db2.gz JYYCVDFODLCQRV-OAHLLOKOSA-N 2 1 302.443 2.589 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397458002 428509403 /nfs/dbraw/zinc/50/94/03/428509403.db2.gz PDRFFJFVLGQAMJ-YCPHGPKFSA-N 2 1 304.434 2.573 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397458002 428509405 /nfs/dbraw/zinc/50/94/05/428509405.db2.gz PDRFFJFVLGQAMJ-YCPHGPKFSA-N 2 1 304.434 2.573 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397457999 428509766 /nfs/dbraw/zinc/50/97/66/428509766.db2.gz PDRFFJFVLGQAMJ-DZKIICNBSA-N 2 1 304.434 2.573 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397457999 428509767 /nfs/dbraw/zinc/50/97/67/428509767.db2.gz PDRFFJFVLGQAMJ-DZKIICNBSA-N 2 1 304.434 2.573 20 0 DFADMP Brc1ccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCC2)cc1 ZINC000415074589 428510333 /nfs/dbraw/zinc/51/03/33/428510333.db2.gz CXVUOQBLMMLYKN-CQSZACIVSA-N 2 1 309.251 2.822 20 0 DFADMP CCn1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c2ccccc21 ZINC000397471673 428510673 /nfs/dbraw/zinc/51/06/73/428510673.db2.gz XBKVTDMOISYATP-ILXRZTDVSA-N 2 1 300.450 2.861 20 0 DFADMP CCn1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c2ccccc21 ZINC000397471673 428510677 /nfs/dbraw/zinc/51/06/77/428510677.db2.gz XBKVTDMOISYATP-ILXRZTDVSA-N 2 1 300.450 2.861 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1cnc(-c2ccncc2)s1)C1CCCC1 ZINC000415072092 428511079 /nfs/dbraw/zinc/51/10/79/428511079.db2.gz XPZJDTHLVNXLQB-OAHLLOKOSA-N 2 1 302.447 2.812 20 0 DFADMP C[C@]1(C[NH2+]Cc2cc(F)cc(Br)c2)CC[NH2+]C1 ZINC000415081507 428512641 /nfs/dbraw/zinc/51/26/41/428512641.db2.gz KNNNGILCBASXBX-ZDUSSCGKSA-N 2 1 301.203 2.677 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398011184 428514658 /nfs/dbraw/zinc/51/46/58/428514658.db2.gz DBFLUAPPVXKBDN-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398011184 428514665 /nfs/dbraw/zinc/51/46/65/428514665.db2.gz DBFLUAPPVXKBDN-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398011184 428514670 /nfs/dbraw/zinc/51/46/70/428514670.db2.gz DBFLUAPPVXKBDN-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[C@H]([NH3+])C1 ZINC000398004322 428516429 /nfs/dbraw/zinc/51/64/29/428516429.db2.gz AJFYXBDPCZNKDT-BVBHFADKSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000398004322 428516433 /nfs/dbraw/zinc/51/64/33/428516433.db2.gz AJFYXBDPCZNKDT-BVBHFADKSA-N 2 1 301.478 2.757 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OC1CCCC1 ZINC000415085831 428516635 /nfs/dbraw/zinc/51/66/35/428516635.db2.gz REDQDGBOCYQHTR-UHFFFAOYSA-N 2 1 304.434 2.858 20 0 DFADMP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415100725 428517771 /nfs/dbraw/zinc/51/77/71/428517771.db2.gz HBKOQTHTHOGBBI-XUVXKRRUSA-N 2 1 310.441 2.673 20 0 DFADMP C[C@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000343085279 428518005 /nfs/dbraw/zinc/51/80/05/428518005.db2.gz NLLCAPGEWWZCIS-IXDOHACOSA-N 2 1 321.509 2.725 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084367 428518457 /nfs/dbraw/zinc/51/84/57/428518457.db2.gz SXNMURRJYRLERS-NVXWUHKLSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@]1(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]C1 ZINC000415111166 428525146 /nfs/dbraw/zinc/52/51/46/428525146.db2.gz OMLJKKLJBXPLDM-KGLIPLIRSA-N 2 1 320.399 2.667 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390566593 428473762 /nfs/dbraw/zinc/47/37/62/428473762.db2.gz AUMIQRYOOMUIGY-UXDRXVOSSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+]C1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000390566593 428473772 /nfs/dbraw/zinc/47/37/72/428473772.db2.gz AUMIQRYOOMUIGY-UXDRXVOSSA-N 2 1 301.478 2.899 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1OC(F)F ZINC000414962735 428474222 /nfs/dbraw/zinc/47/42/22/428474222.db2.gz ZWSSPGVFLGXZLV-JQWIXIFHSA-N 2 1 300.349 2.527 20 0 DFADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414975273 428478461 /nfs/dbraw/zinc/47/84/61/428478461.db2.gz FZAWMLYBGHJZFN-LBPRGKRZSA-N 2 1 312.339 2.718 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@H]1C[NH3+] ZINC000415136605 428535540 /nfs/dbraw/zinc/53/55/40/428535540.db2.gz XKDUNGMIFHTSJA-QWHCGFSZSA-N 2 1 304.463 2.565 20 0 DFADMP Cc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1Cl ZINC000415140452 428536854 /nfs/dbraw/zinc/53/68/54/428536854.db2.gz NLDGIHYPZIFJOV-WBVHZDCISA-N 2 1 320.864 2.849 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400331267 428543425 /nfs/dbraw/zinc/54/34/25/428543425.db2.gz DQPVUKJYFKVDCN-QXAKKESOSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C)[C@@H]1CC[NH2+]C1 ZINC000400331267 428543430 /nfs/dbraw/zinc/54/34/30/428543430.db2.gz DQPVUKJYFKVDCN-QXAKKESOSA-N 2 1 315.505 2.875 20 0 DFADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400337548 428543546 /nfs/dbraw/zinc/54/35/46/428543546.db2.gz DRTCNDVXWIBTMX-UHOSZYNNSA-N 2 1 303.494 2.731 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000400337548 428543551 /nfs/dbraw/zinc/54/35/51/428543551.db2.gz DRTCNDVXWIBTMX-UHOSZYNNSA-N 2 1 303.494 2.731 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353462311 428549153 /nfs/dbraw/zinc/54/91/53/428549153.db2.gz IOHVOMNCUNASCQ-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353462311 428549162 /nfs/dbraw/zinc/54/91/62/428549162.db2.gz IOHVOMNCUNASCQ-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353462311 428549171 /nfs/dbraw/zinc/54/91/71/428549171.db2.gz IOHVOMNCUNASCQ-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)C1 ZINC000353462311 428549177 /nfs/dbraw/zinc/54/91/77/428549177.db2.gz IOHVOMNCUNASCQ-HCXYKTFWSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@H]32)C1 ZINC000353462311 428549183 /nfs/dbraw/zinc/54/91/83/428549183.db2.gz IOHVOMNCUNASCQ-HCXYKTFWSA-N 2 1 307.526 2.961 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@H]2CCC[C@H]21 ZINC000353465210 428550150 /nfs/dbraw/zinc/55/01/50/428550150.db2.gz WGUKKGQZIQYCIG-OWCLPIDISA-N 2 1 318.852 2.950 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@H]2CCC[C@H]21 ZINC000353465210 428550154 /nfs/dbraw/zinc/55/01/54/428550154.db2.gz WGUKKGQZIQYCIG-OWCLPIDISA-N 2 1 318.852 2.950 20 0 DFADMP CC[N@@H+]1CCC[C@@H]1CN(C)c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000353479162 428556488 /nfs/dbraw/zinc/55/64/88/428556488.db2.gz QSZQCMZMDNUDPS-CQSZACIVSA-N 2 1 305.470 2.587 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000353479162 428556495 /nfs/dbraw/zinc/55/64/95/428556495.db2.gz QSZQCMZMDNUDPS-CQSZACIVSA-N 2 1 305.470 2.587 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000361328774 428557993 /nfs/dbraw/zinc/55/79/93/428557993.db2.gz QYKBXJYYPFGGOB-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361328774 428557996 /nfs/dbraw/zinc/55/79/96/428557996.db2.gz QYKBXJYYPFGGOB-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361328774 428558002 /nfs/dbraw/zinc/55/80/02/428558002.db2.gz QYKBXJYYPFGGOB-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361365108 428560518 /nfs/dbraw/zinc/56/05/18/428560518.db2.gz ILBFNTCQHZLOFN-LNLFQRSKSA-N 2 1 320.477 2.681 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361365108 428560523 /nfs/dbraw/zinc/56/05/23/428560523.db2.gz ILBFNTCQHZLOFN-LNLFQRSKSA-N 2 1 320.477 2.681 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000373389173 428564625 /nfs/dbraw/zinc/56/46/25/428564625.db2.gz RAXBBWWJHJOYCY-NVXWUHKLSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000373389173 428564629 /nfs/dbraw/zinc/56/46/29/428564629.db2.gz RAXBBWWJHJOYCY-NVXWUHKLSA-N 2 1 314.408 2.728 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC000404326094 428566111 /nfs/dbraw/zinc/56/61/11/428566111.db2.gz VHVBCTWYEUJTLL-NXOAAHMSSA-N 2 1 317.477 2.624 20 0 DFADMP CC[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000353503319 428567760 /nfs/dbraw/zinc/56/77/60/428567760.db2.gz IGOWALFMUMIGJV-KRWDZBQOSA-N 2 1 304.478 2.959 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000353498750 428567930 /nfs/dbraw/zinc/56/79/30/428567930.db2.gz BLVMAXFSZVHFNQ-UFYCRDLUSA-N 2 1 324.472 2.877 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)[C@@H]2CCC[C@H]21 ZINC000353501042 428568321 /nfs/dbraw/zinc/56/83/21/428568321.db2.gz HQHBDYYSQVWNPJ-YESZJQIVSA-N 2 1 319.518 2.569 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@H]1CC[NH3+] ZINC000404356161 428569989 /nfs/dbraw/zinc/56/99/89/428569989.db2.gz LOXDLCXFWZHNSK-KDOFPFPSSA-N 2 1 315.461 2.563 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@H]1CC[NH3+] ZINC000404356161 428569993 /nfs/dbraw/zinc/56/99/93/428569993.db2.gz LOXDLCXFWZHNSK-KDOFPFPSSA-N 2 1 315.461 2.563 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404372189 428570206 /nfs/dbraw/zinc/57/02/06/428570206.db2.gz JLDXWXJTMOWXEZ-NVXWUHKLSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000404372189 428570210 /nfs/dbraw/zinc/57/02/10/428570210.db2.gz JLDXWXJTMOWXEZ-NVXWUHKLSA-N 2 1 303.450 2.691 20 0 DFADMP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000353506745 428570418 /nfs/dbraw/zinc/57/04/18/428570418.db2.gz ZGPGRPAJUGOFEE-LPHOPBHVSA-N 2 1 304.478 2.992 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000361455794 428571242 /nfs/dbraw/zinc/57/12/42/428571242.db2.gz FYRXCOFQWULQPP-BHIYHBOVSA-N 3 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCn3ccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC000361455794 428571245 /nfs/dbraw/zinc/57/12/45/428571245.db2.gz FYRXCOFQWULQPP-BHIYHBOVSA-N 3 1 324.472 2.841 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000343823726 428574775 /nfs/dbraw/zinc/57/47/75/428574775.db2.gz GEFNWESZZSWHDY-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000343823726 428574780 /nfs/dbraw/zinc/57/47/80/428574780.db2.gz GEFNWESZZSWHDY-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000343825842 428575234 /nfs/dbraw/zinc/57/52/34/428575234.db2.gz JOHJVESUPFSZDF-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCF)CC[N@H+](Cc2ccccc2)C1 ZINC000353521386 428576370 /nfs/dbraw/zinc/57/63/70/428576370.db2.gz RMOHZPWMORYHMG-QYZOEREBSA-N 2 1 320.452 2.741 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H]2CCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000353521386 428576374 /nfs/dbraw/zinc/57/63/74/428576374.db2.gz RMOHZPWMORYHMG-QYZOEREBSA-N 2 1 320.452 2.741 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)n1 ZINC000358032951 428577659 /nfs/dbraw/zinc/57/76/59/428577659.db2.gz DSGBYCPFGMZWMV-ZNMIVQPWSA-N 2 1 320.481 2.633 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CC2(OC)CCCCC2)C1 ZINC000361571893 428580088 /nfs/dbraw/zinc/58/00/88/428580088.db2.gz ORKYSLBGUDUBDE-KRWDZBQOSA-N 2 1 312.498 2.768 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000358349274 428596810 /nfs/dbraw/zinc/59/68/10/428596810.db2.gz DNLMNNXVYJPNBC-JZXOWHBKSA-N 2 1 313.445 2.701 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc21 ZINC000358349274 428596815 /nfs/dbraw/zinc/59/68/15/428596815.db2.gz DNLMNNXVYJPNBC-JZXOWHBKSA-N 2 1 313.445 2.701 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000353574145 428602960 /nfs/dbraw/zinc/60/29/60/428602960.db2.gz WNKWJMKDIRVBKM-KRWDZBQOSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358561712 428607706 /nfs/dbraw/zinc/60/77/06/428607706.db2.gz WKDUYRXEIHSHLL-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000361970010 428608581 /nfs/dbraw/zinc/60/85/81/428608581.db2.gz FEASUMZQBDYZOG-DFEOGRTESA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000361970010 428608588 /nfs/dbraw/zinc/60/85/88/428608588.db2.gz FEASUMZQBDYZOG-DFEOGRTESA-N 2 1 315.505 2.683 20 0 DFADMP Cc1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)s1 ZINC000358621453 428610769 /nfs/dbraw/zinc/61/07/69/428610769.db2.gz WORDGRFQQZJGRL-UHFFFAOYSA-N 2 1 308.495 2.935 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000362081925 428615679 /nfs/dbraw/zinc/61/56/79/428615679.db2.gz ZARXEBGPWMHTRT-HZPDHXFCSA-N 2 1 320.481 2.900 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000353611810 428620553 /nfs/dbraw/zinc/62/05/53/428620553.db2.gz FRLWAEZYGCOJMD-BZSNNMDCSA-N 2 1 315.461 2.975 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000373614396 428621209 /nfs/dbraw/zinc/62/12/09/428621209.db2.gz BMEPIFNTLKDNIE-VQIMIIECSA-N 2 1 311.429 2.873 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)n1 ZINC000373614396 428621213 /nfs/dbraw/zinc/62/12/13/428621213.db2.gz BMEPIFNTLKDNIE-VQIMIIECSA-N 2 1 311.429 2.873 20 0 DFADMP CC(C)c1nc(CN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)no1 ZINC000362105401 428621798 /nfs/dbraw/zinc/62/17/98/428621798.db2.gz HJQZJZHFOCLUFQ-AWEZNQCLSA-N 2 1 318.465 2.889 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N(C)C[C@H]2CCC[N@H+]2CC)c1 ZINC000415910387 428625283 /nfs/dbraw/zinc/62/52/83/428625283.db2.gz VSWOHJSLCLVSJG-QGZVFWFLSA-N 2 1 318.465 2.744 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@@H]2CCC[C@H]21 ZINC000353622605 428625968 /nfs/dbraw/zinc/62/59/68/428625968.db2.gz OLUSSWDDFOWAGK-JENIJYKNSA-N 2 1 310.445 2.835 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000415928403 428628729 /nfs/dbraw/zinc/62/87/29/428628729.db2.gz HKVHFENYGTZZJG-GJZGRUSLSA-N 2 1 318.465 2.648 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000153768156 274022649 /nfs/dbraw/zinc/02/26/49/274022649.db2.gz RZIUWAUXIWLAEE-QGZVFWFLSA-N 2 1 318.461 2.991 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000153768156 274022650 /nfs/dbraw/zinc/02/26/50/274022650.db2.gz RZIUWAUXIWLAEE-QGZVFWFLSA-N 2 1 318.461 2.991 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415978751 428640549 /nfs/dbraw/zinc/64/05/49/428640549.db2.gz CKVHGISUBHMLKC-AWEZNQCLSA-N 2 1 306.454 2.648 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415987031 428642337 /nfs/dbraw/zinc/64/23/37/428642337.db2.gz WDCIKDQWDFXRBJ-AWEZNQCLSA-N 2 1 306.454 2.648 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000415952856 428635009 /nfs/dbraw/zinc/63/50/09/428635009.db2.gz KNGKBODDJGARQY-RHSMWYFYSA-N 2 1 318.465 2.646 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358725062 428645020 /nfs/dbraw/zinc/64/50/20/428645020.db2.gz OGGCLMVYSCFMNR-NXHRZFHOSA-N 2 1 322.518 2.743 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358725062 428645027 /nfs/dbraw/zinc/64/50/27/428645027.db2.gz OGGCLMVYSCFMNR-NXHRZFHOSA-N 2 1 322.518 2.743 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000316745072 274137974 /nfs/dbraw/zinc/13/79/74/274137974.db2.gz ILSBSDOJHHUUHS-JKIFEVAISA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000316745072 274137978 /nfs/dbraw/zinc/13/79/78/274137978.db2.gz ILSBSDOJHHUUHS-JKIFEVAISA-N 2 1 302.418 2.735 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NCC[N@@H+](C)C2CCCCC2)cc1 ZINC000416006339 428646263 /nfs/dbraw/zinc/64/62/63/428646263.db2.gz JQJUZIBORGIMFJ-UHFFFAOYSA-N 2 1 318.465 2.792 20 0 DFADMP C[C@H]([NH2+][C@H]1CCn2ccnc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348184471 428646332 /nfs/dbraw/zinc/64/63/32/428646332.db2.gz GSGRSMYEERAZHC-WDSOQIARSA-N 2 1 324.472 2.698 20 0 DFADMP C[NH+](C)CCN(Cc1ncc(C[NH+](C)C)s1)C1CCCC1 ZINC000348189222 428646536 /nfs/dbraw/zinc/64/65/36/428646536.db2.gz VZZFXDSUYWRZNH-UHFFFAOYSA-N 2 1 310.511 2.511 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000358757567 428661974 /nfs/dbraw/zinc/66/19/74/428661974.db2.gz XDMDGBAEISAPFO-HNAYVOBHSA-N 2 1 321.428 2.997 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416146929 428676484 /nfs/dbraw/zinc/67/64/84/428676484.db2.gz QJCXGZSPQLEFBJ-GOSISDBHSA-N 2 1 317.477 2.622 20 0 DFADMP CCC[N@H+](CC)CC[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000362237094 428669121 /nfs/dbraw/zinc/66/91/21/428669121.db2.gz ITCTZUKCYPYOAR-UHFFFAOYSA-N 2 1 319.493 2.986 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000362237094 428669128 /nfs/dbraw/zinc/66/91/28/428669128.db2.gz ITCTZUKCYPYOAR-UHFFFAOYSA-N 2 1 319.493 2.986 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152527721 274339837 /nfs/dbraw/zinc/33/98/37/274339837.db2.gz AOGDSUXIGWAICU-VXNCWWDNSA-N 2 1 301.478 2.831 20 0 DFADMP C[C@@H]1CN(c2cccc3cnccc32)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000261831596 274365271 /nfs/dbraw/zinc/36/52/71/274365271.db2.gz JCTHXFYZYLGJTN-MRXNPFEDSA-N 2 1 324.472 2.745 20 0 DFADMP O[C@@]1(C[NH2+]C[C@@H]2CC=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344541653 428674184 /nfs/dbraw/zinc/67/41/84/428674184.db2.gz VYWUWRBKMKBRLG-IEBWSBKVSA-N 2 1 300.446 2.569 20 0 DFADMP O[C@@]1(C[NH2+]C[C@@H]2CC=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541653 428674191 /nfs/dbraw/zinc/67/41/91/428674191.db2.gz VYWUWRBKMKBRLG-IEBWSBKVSA-N 2 1 300.446 2.569 20 0 DFADMP O[C@]1(C[NH2+]C[C@@H]2CC=CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344541655 428675216 /nfs/dbraw/zinc/67/52/16/428675216.db2.gz VYWUWRBKMKBRLG-MJGOQNOKSA-N 2 1 300.446 2.569 20 0 DFADMP O[C@]1(C[NH2+]C[C@@H]2CC=CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344541655 428675220 /nfs/dbraw/zinc/67/52/20/428675220.db2.gz VYWUWRBKMKBRLG-MJGOQNOKSA-N 2 1 300.446 2.569 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000374564668 428698083 /nfs/dbraw/zinc/69/80/83/428698083.db2.gz WFJYNUNHNFBENB-BMGDILEWSA-N 2 1 306.425 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000374564668 428698090 /nfs/dbraw/zinc/69/80/90/428698090.db2.gz WFJYNUNHNFBENB-BMGDILEWSA-N 2 1 306.425 2.584 20 0 DFADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416242213 428698262 /nfs/dbraw/zinc/69/82/62/428698262.db2.gz FHXIWBNUZWEZKP-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000353755392 428700053 /nfs/dbraw/zinc/70/00/53/428700053.db2.gz ROZQTHMWRAUNCK-DOMZBBRYSA-N 2 1 301.438 2.571 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000353755392 428700060 /nfs/dbraw/zinc/70/00/60/428700060.db2.gz ROZQTHMWRAUNCK-DOMZBBRYSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000353755392 428700066 /nfs/dbraw/zinc/70/00/66/428700066.db2.gz ROZQTHMWRAUNCK-DOMZBBRYSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@H]1C ZINC000353755392 428700071 /nfs/dbraw/zinc/70/00/71/428700071.db2.gz ROZQTHMWRAUNCK-DOMZBBRYSA-N 2 1 301.438 2.571 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000416253136 428702343 /nfs/dbraw/zinc/70/23/43/428702343.db2.gz QNPAYKVNJTYJBB-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)s2)cn1 ZINC000374587194 428705850 /nfs/dbraw/zinc/70/58/50/428705850.db2.gz RTPWOCRCBOVYKD-CABCVRRESA-N 2 1 316.474 2.865 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2(F)CCC2)[C@@H](C)C1 ZINC000348326287 428707518 /nfs/dbraw/zinc/70/75/18/428707518.db2.gz MMQFGGQWEZKCEJ-HOTGVXAUSA-N 2 1 300.462 2.995 20 0 DFADMP Cc1cccc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)n1 ZINC000348331740 428709789 /nfs/dbraw/zinc/70/97/89/428709789.db2.gz RWEYZLZQBLAYMW-KDURUIRLSA-N 2 1 307.441 2.954 20 0 DFADMP COCCc1nc(C)c([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000362343962 428713149 /nfs/dbraw/zinc/71/31/49/428713149.db2.gz XFCXPTFHPUJMNS-NWANDNLSSA-N 2 1 323.506 2.918 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)s1 ZINC000362343962 428713154 /nfs/dbraw/zinc/71/31/54/428713154.db2.gz XFCXPTFHPUJMNS-NWANDNLSSA-N 2 1 323.506 2.918 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000362343962 428713161 /nfs/dbraw/zinc/71/31/61/428713161.db2.gz XFCXPTFHPUJMNS-NWANDNLSSA-N 2 1 323.506 2.918 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)nc(C)[nH+]1 ZINC000374618007 428714787 /nfs/dbraw/zinc/71/47/87/428714787.db2.gz KBLMICQQFMZPTI-USXIJHARSA-N 2 1 300.450 2.840 20 0 DFADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@@H]3C=CCCC3)CC2)C[C@@H](C)O1 ZINC000358878589 428715556 /nfs/dbraw/zinc/71/55/56/428715556.db2.gz ZUWAEWYZDZQGKF-KZNAEPCWSA-N 2 1 322.493 2.685 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000353795452 428720291 /nfs/dbraw/zinc/72/02/91/428720291.db2.gz MCUAIRWDRHKWHS-HYLCPLCXSA-N 2 1 321.509 2.521 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000348404046 428734114 /nfs/dbraw/zinc/73/41/14/428734114.db2.gz IWLNSWSVKYOMSE-SMDDNHRTSA-N 2 1 309.360 2.847 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358913647 428729270 /nfs/dbraw/zinc/72/92/70/428729270.db2.gz ITHXXKCDUWAVNH-NVXWUHKLSA-N 2 1 304.482 2.899 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000344636685 428686120 /nfs/dbraw/zinc/68/61/20/428686120.db2.gz VKRRWTHBCBXSEN-BLLLJJGKSA-N 2 1 302.397 2.788 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC000344673658 428690978 /nfs/dbraw/zinc/69/09/78/428690978.db2.gz LQTRZXMBVHPMJX-IRXDYDNUSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000344673658 428690980 /nfs/dbraw/zinc/69/09/80/428690980.db2.gz LQTRZXMBVHPMJX-IRXDYDNUSA-N 2 1 317.477 2.526 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358826718 428694126 /nfs/dbraw/zinc/69/41/26/428694126.db2.gz MMGJWJBILBYTJG-KBAYOESNSA-N 2 1 322.518 2.743 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358826718 428694129 /nfs/dbraw/zinc/69/41/29/428694129.db2.gz MMGJWJBILBYTJG-KBAYOESNSA-N 2 1 322.518 2.743 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232391 428694645 /nfs/dbraw/zinc/69/46/45/428694645.db2.gz FOAJIJHLEJJFCX-RDJZCZTQSA-N 2 1 305.466 2.524 20 0 DFADMP CSC1(C[N@@H+](C)C[C@H]2CCCN(C)[C@H]2c2ccnn2C)CC1 ZINC000348489870 428759181 /nfs/dbraw/zinc/75/91/81/428759181.db2.gz HFLRKUHGBMXYSH-GDBMZVCRSA-N 2 1 322.522 2.630 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@@H](C)CC[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000411232863 428765613 /nfs/dbraw/zinc/76/56/13/428765613.db2.gz UGAAYBXZWGARPA-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CO[C@@H]1CCC[N@@H+](CC[C@@H](C)CC[NH+]2CCC[C@H](OC)C2)C1 ZINC000411232863 428765620 /nfs/dbraw/zinc/76/56/20/428765620.db2.gz UGAAYBXZWGARPA-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CO[C@@H]1CCC[N@H+](CC[C@@H](C)CC[NH+]2CCC[C@H](OC)C2)C1 ZINC000411232863 428765626 /nfs/dbraw/zinc/76/56/26/428765626.db2.gz UGAAYBXZWGARPA-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC1 ZINC000345145056 428771468 /nfs/dbraw/zinc/77/14/68/428771468.db2.gz RTOOZVOUKRXDCF-LJQANCHMSA-N 2 1 316.445 2.596 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C)n2)[C@@H](C)C1 ZINC000359018766 428775616 /nfs/dbraw/zinc/77/56/16/428775616.db2.gz YZPOWTDHMRXMJV-LPHOPBHVSA-N 2 1 319.493 2.659 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000353945227 428789398 /nfs/dbraw/zinc/78/93/98/428789398.db2.gz OTDBQOFGLUFPPL-MXWWQKGMSA-N 2 1 321.465 2.929 20 0 DFADMP COC(=O)c1cc(C[N@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000411400081 428792226 /nfs/dbraw/zinc/79/22/26/428792226.db2.gz MXZACUYPAHPOJJ-UHFFFAOYSA-N 2 1 307.419 2.562 20 0 DFADMP COC(=O)c1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)cs1 ZINC000411400081 428792230 /nfs/dbraw/zinc/79/22/30/428792230.db2.gz MXZACUYPAHPOJJ-UHFFFAOYSA-N 2 1 307.419 2.562 20 0 DFADMP C[C@H]([NH2+][C@H](CO)CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348443525 428745268 /nfs/dbraw/zinc/74/52/68/428745268.db2.gz XNUXENYAVZGKSU-IMJJTQAJSA-N 2 1 312.404 2.503 20 0 DFADMP CC(C)OC(=O)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374785276 428750012 /nfs/dbraw/zinc/75/00/12/428750012.db2.gz UUDLJRXVKOFHEH-UHFFFAOYSA-N 2 1 319.449 2.572 20 0 DFADMP COCCOCC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411738364 428849390 /nfs/dbraw/zinc/84/93/90/428849390.db2.gz TVGBACYUJHBKCO-UHFFFAOYSA-N 2 1 320.477 2.767 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000348832448 428852435 /nfs/dbraw/zinc/85/24/35/428852435.db2.gz LCSBBURWKONAPH-MLGOLLRUSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000348832448 428852439 /nfs/dbraw/zinc/85/24/39/428852439.db2.gz LCSBBURWKONAPH-MLGOLLRUSA-N 2 1 323.868 2.542 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C(=O)NC(C)C)cc1 ZINC000411473879 428803760 /nfs/dbraw/zinc/80/37/60/428803760.db2.gz KXJZGXJGPWUHSS-UONOGXRCSA-N 2 1 314.433 2.744 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000353985554 428804370 /nfs/dbraw/zinc/80/43/70/428804370.db2.gz CXPCZEWCYDFVLH-HNNXBMFYSA-N 2 1 308.495 2.576 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000353985554 428804375 /nfs/dbraw/zinc/80/43/75/428804375.db2.gz CXPCZEWCYDFVLH-HNNXBMFYSA-N 2 1 308.495 2.576 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000353988444 428807578 /nfs/dbraw/zinc/80/75/78/428807578.db2.gz VUUAKZDULJKJTB-KRWDZBQOSA-N 2 1 302.466 2.514 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCN(c2ccccn2)CC1 ZINC000353988444 428807583 /nfs/dbraw/zinc/80/75/83/428807583.db2.gz VUUAKZDULJKJTB-KRWDZBQOSA-N 2 1 302.466 2.514 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2cc3ccc(F)cc3[nH]2)CC1 ZINC000362928958 428813439 /nfs/dbraw/zinc/81/34/39/428813439.db2.gz YLEPNXVXRKHQRF-UHFFFAOYSA-N 2 1 305.397 2.507 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000375171241 428817195 /nfs/dbraw/zinc/81/71/95/428817195.db2.gz NMCVMRQBPWRWPH-IRXDYDNUSA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000375171241 428817204 /nfs/dbraw/zinc/81/72/04/428817204.db2.gz NMCVMRQBPWRWPH-IRXDYDNUSA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000375171241 428817207 /nfs/dbraw/zinc/81/72/07/428817207.db2.gz NMCVMRQBPWRWPH-IRXDYDNUSA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000375171241 428817214 /nfs/dbraw/zinc/81/72/14/428817214.db2.gz NMCVMRQBPWRWPH-IRXDYDNUSA-N 2 1 321.465 2.757 20 0 DFADMP COC(C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1)OC ZINC000375251822 428832720 /nfs/dbraw/zinc/83/27/20/428832720.db2.gz BDIIVKAOIAOPRL-QGZVFWFLSA-N 2 1 306.450 2.592 20 0 DFADMP COC(C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1)OC ZINC000375251822 428832726 /nfs/dbraw/zinc/83/27/26/428832726.db2.gz BDIIVKAOIAOPRL-QGZVFWFLSA-N 2 1 306.450 2.592 20 0 DFADMP COC(C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1)OC ZINC000375251822 428832729 /nfs/dbraw/zinc/83/27/29/428832729.db2.gz BDIIVKAOIAOPRL-QGZVFWFLSA-N 2 1 306.450 2.592 20 0 DFADMP COC(C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1)OC ZINC000375251822 428832733 /nfs/dbraw/zinc/83/27/33/428832733.db2.gz BDIIVKAOIAOPRL-QGZVFWFLSA-N 2 1 306.450 2.592 20 0 DFADMP CC(C)(C)c1ncc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cn1 ZINC000375322530 428854266 /nfs/dbraw/zinc/85/42/66/428854266.db2.gz UAANDSHRSLSACU-IXDOHACOSA-N 2 1 314.477 2.690 20 0 DFADMP COCc1cccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000354099430 428861760 /nfs/dbraw/zinc/86/17/60/428861760.db2.gz DPJADJIXSJPFLA-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COCc1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000354099430 428861763 /nfs/dbraw/zinc/86/17/63/428861763.db2.gz DPJADJIXSJPFLA-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COCc1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000354099430 428861767 /nfs/dbraw/zinc/86/17/67/428861767.db2.gz DPJADJIXSJPFLA-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COCc1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000354099430 428861771 /nfs/dbraw/zinc/86/17/71/428861771.db2.gz DPJADJIXSJPFLA-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP Fc1ccc([C@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1F ZINC000359199512 428861919 /nfs/dbraw/zinc/86/19/19/428861919.db2.gz XGYBGWOIPADXDV-QGZVFWFLSA-N 2 1 310.388 2.728 20 0 DFADMP Fc1ccc([C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1F ZINC000359199512 428861927 /nfs/dbraw/zinc/86/19/27/428861927.db2.gz XGYBGWOIPADXDV-QGZVFWFLSA-N 2 1 310.388 2.728 20 0 DFADMP c1ccc(COC[C@@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359222941 428871473 /nfs/dbraw/zinc/87/14/73/428871473.db2.gz RFEYACHQHHSYSY-LJQANCHMSA-N 2 1 302.462 2.915 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)n1 ZINC000359227372 428875434 /nfs/dbraw/zinc/87/54/34/428875434.db2.gz LFXXPYOQELPMRP-MRXNPFEDSA-N 2 1 303.450 2.625 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)n1 ZINC000359227372 428875441 /nfs/dbraw/zinc/87/54/41/428875441.db2.gz LFXXPYOQELPMRP-MRXNPFEDSA-N 2 1 303.450 2.625 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n(C)n1 ZINC000418153136 428890206 /nfs/dbraw/zinc/89/02/06/428890206.db2.gz UUMWGXKVXCNEHX-HNNXBMFYSA-N 2 1 313.449 2.641 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)n(C)n1 ZINC000418153140 428891065 /nfs/dbraw/zinc/89/10/65/428891065.db2.gz UUMWGXKVXCNEHX-OAHLLOKOSA-N 2 1 313.449 2.641 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354174346 428899610 /nfs/dbraw/zinc/89/96/10/428899610.db2.gz XCNQNKFNMJDUGX-JUFRUHRKSA-N 2 1 300.446 2.949 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3c(cccc3C)n2)C[C@H]1C ZINC000354202029 428911658 /nfs/dbraw/zinc/91/16/58/428911658.db2.gz CZSGVNWXBQERBK-WBVHZDCISA-N 2 1 300.450 2.947 20 0 DFADMP Cc1cccc(NC2CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC2)[nH+]1 ZINC000363310221 428903717 /nfs/dbraw/zinc/90/37/17/428903717.db2.gz FCZTTXCLWARDAK-OAHLLOKOSA-N 2 1 318.465 2.522 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nc3ccccc3n2C)C[C@H]1C ZINC000354204341 428914899 /nfs/dbraw/zinc/91/48/99/428914899.db2.gz FJUQHGYSXACSAQ-HZPDHXFCSA-N 2 1 314.477 2.920 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2nc3ccccc3n2C)C[C@H]1C ZINC000354204341 428914900 /nfs/dbraw/zinc/91/49/00/428914900.db2.gz FJUQHGYSXACSAQ-HZPDHXFCSA-N 2 1 314.477 2.920 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2nc3ccccc3n2C)C[C@H]1C ZINC000354204341 428914912 /nfs/dbraw/zinc/91/49/12/428914912.db2.gz FJUQHGYSXACSAQ-HZPDHXFCSA-N 2 1 314.477 2.920 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2nc3ccccc3n2C)C[C@H]1C ZINC000354204341 428914917 /nfs/dbraw/zinc/91/49/17/428914917.db2.gz FJUQHGYSXACSAQ-HZPDHXFCSA-N 2 1 314.477 2.920 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000363450944 428915447 /nfs/dbraw/zinc/91/54/47/428915447.db2.gz UZARNVKZXZKXPN-HOTGVXAUSA-N 2 1 318.465 2.653 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000363450944 428915453 /nfs/dbraw/zinc/91/54/53/428915453.db2.gz UZARNVKZXZKXPN-HOTGVXAUSA-N 2 1 318.465 2.653 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000363451476 428918515 /nfs/dbraw/zinc/91/85/15/428918515.db2.gz ZDDNZNASLIVGMH-CVEARBPZSA-N 2 1 320.481 2.899 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)N(C)C(C)C)C1 ZINC000363451476 428918522 /nfs/dbraw/zinc/91/85/22/428918522.db2.gz ZDDNZNASLIVGMH-CVEARBPZSA-N 2 1 320.481 2.899 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2C(=O)OC)C[C@H]1C ZINC000354226237 428925051 /nfs/dbraw/zinc/92/50/51/428925051.db2.gz VTNFGSCTEOHVGC-CJNGLKHVSA-N 2 1 322.424 2.917 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)C2CCC(C)CC2)C[C@@H]1C ZINC000354224924 428925430 /nfs/dbraw/zinc/92/54/30/428925430.db2.gz OWZZDQNQRVNIAM-IKJBURDNSA-N 2 1 323.525 2.828 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000363478684 428926144 /nfs/dbraw/zinc/92/61/44/428926144.db2.gz NAKKQDGGAQKYST-QGZVFWFLSA-N 2 1 304.482 2.957 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226422 428926262 /nfs/dbraw/zinc/92/62/62/428926262.db2.gz WCGLDQXVOHYUMX-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP CCN(C(=O)CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1)C1CCCCC1 ZINC000354223986 428927443 /nfs/dbraw/zinc/92/74/43/428927443.db2.gz MMTFNMDPUFRWDQ-SJLPKXTDSA-N 2 1 323.525 2.972 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1C ZINC000349132140 428927506 /nfs/dbraw/zinc/92/75/06/428927506.db2.gz QVSYNGBFTCXZPU-KRWDZBQOSA-N 2 1 304.482 2.684 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccco1)[NH+](CC)CC ZINC000349142042 428927789 /nfs/dbraw/zinc/92/77/89/428927789.db2.gz HBOJKJYFAWNAJN-CVEARBPZSA-N 2 1 321.465 2.653 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000354225373 428927857 /nfs/dbraw/zinc/92/78/57/428927857.db2.gz RLIRFJGQLHTZFO-GVDBMIGSSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000363521079 428934724 /nfs/dbraw/zinc/93/47/24/428934724.db2.gz AHVWNDPNYZYWIL-MGPQQGTHSA-N 2 1 308.388 2.808 20 0 DFADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000363567345 428944360 /nfs/dbraw/zinc/94/43/60/428944360.db2.gz YSISQPZJADWCQE-FGTMMUONSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCCCF)CC2)C[C@H](C)O1 ZINC000375715083 428950246 /nfs/dbraw/zinc/95/02/46/428950246.db2.gz AOWIUBVPIIBYNI-IYBDPMFKSA-N 2 1 300.462 2.947 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1ccccc1F ZINC000363611660 428952207 /nfs/dbraw/zinc/95/22/07/428952207.db2.gz QALRNUIHYOIRHF-UHFFFAOYSA-N 2 1 313.380 2.901 20 0 DFADMP C[C@@H]1CCC[C@@H](CC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000363615487 428955001 /nfs/dbraw/zinc/95/50/01/428955001.db2.gz JLBILFIDQWDEKV-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000375752908 428961429 /nfs/dbraw/zinc/96/14/29/428961429.db2.gz HBJMWROPXOPLME-IPMKNSEASA-N 2 1 324.472 2.729 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762482 428962684 /nfs/dbraw/zinc/96/26/84/428962684.db2.gz YNBCUDPBDSQWQI-FCLJQHQZSA-N 2 1 308.853 2.930 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000375762482 428962687 /nfs/dbraw/zinc/96/26/87/428962687.db2.gz YNBCUDPBDSQWQI-FCLJQHQZSA-N 2 1 308.853 2.930 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375762482 428962688 /nfs/dbraw/zinc/96/26/88/428962688.db2.gz YNBCUDPBDSQWQI-FCLJQHQZSA-N 2 1 308.853 2.930 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000375762482 428962692 /nfs/dbraw/zinc/96/26/92/428962692.db2.gz YNBCUDPBDSQWQI-FCLJQHQZSA-N 2 1 308.853 2.930 20 0 DFADMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1C ZINC000349321417 428962835 /nfs/dbraw/zinc/96/28/35/428962835.db2.gz XPFBDXKDOLXMBD-GOSISDBHSA-N 2 1 315.505 2.904 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767883 428965827 /nfs/dbraw/zinc/96/58/27/428965827.db2.gz KGFDCCRHBYXEJK-IRXDYDNUSA-N 2 1 323.481 2.558 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767883 428965830 /nfs/dbraw/zinc/96/58/30/428965830.db2.gz KGFDCCRHBYXEJK-IRXDYDNUSA-N 2 1 323.481 2.558 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767883 428965832 /nfs/dbraw/zinc/96/58/32/428965832.db2.gz KGFDCCRHBYXEJK-IRXDYDNUSA-N 2 1 323.481 2.558 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767883 428965835 /nfs/dbraw/zinc/96/58/35/428965835.db2.gz KGFDCCRHBYXEJK-IRXDYDNUSA-N 2 1 323.481 2.558 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCC[C@H]1COC(=O)N1CCCC1 ZINC000375767883 428965837 /nfs/dbraw/zinc/96/58/37/428965837.db2.gz KGFDCCRHBYXEJK-IRXDYDNUSA-N 2 1 323.481 2.558 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@H]1C ZINC000418287863 428912064 /nfs/dbraw/zinc/91/20/64/428912064.db2.gz VFXDZHVTSPRXNZ-HZPDHXFCSA-N 2 1 324.513 2.552 20 0 DFADMP C[NH+](C)CC1(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)CCCC1 ZINC000433321662 429025041 /nfs/dbraw/zinc/02/50/41/429025041.db2.gz VZSRTFMHJBXLSF-UHFFFAOYSA-N 2 1 302.422 2.881 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)C3C[NH2+]C3)c2C1 ZINC000375963786 429027367 /nfs/dbraw/zinc/02/73/67/429027367.db2.gz LHLHIYFQXPDSAR-AWEZNQCLSA-N 2 1 315.461 2.842 20 0 DFADMP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000349377137 428975012 /nfs/dbraw/zinc/97/50/12/428975012.db2.gz IPVASHNLYRGTEB-LVFSCSRESA-N 2 1 301.478 2.750 20 0 DFADMP C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000349377137 428975020 /nfs/dbraw/zinc/97/50/20/428975020.db2.gz IPVASHNLYRGTEB-LVFSCSRESA-N 2 1 301.478 2.750 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)CC[N@H+]1C ZINC000433086004 428992101 /nfs/dbraw/zinc/99/21/01/428992101.db2.gz YGLACKUWKDMPPC-IZIZEDOESA-N 2 1 302.462 2.615 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375849863 428997308 /nfs/dbraw/zinc/99/73/08/428997308.db2.gz IHBMPLOKAPNBRP-QRVBRYPASA-N 2 1 318.461 2.927 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)c2ccc(C[NH3+])cc2)C1 ZINC000423722920 429004263 /nfs/dbraw/zinc/00/42/63/429004263.db2.gz DXACQLLVYOHTDI-DAYGRLMNSA-N 2 1 315.461 2.623 20 0 DFADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000375892132 429008468 /nfs/dbraw/zinc/00/84/68/429008468.db2.gz XVIGEDBYFQCOAD-QRVBRYPASA-N 3 1 307.526 2.961 20 0 DFADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)CC1 ZINC000375892132 429008470 /nfs/dbraw/zinc/00/84/70/429008470.db2.gz XVIGEDBYFQCOAD-QRVBRYPASA-N 2 1 307.526 2.961 20 0 DFADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375897131 429010559 /nfs/dbraw/zinc/01/05/59/429010559.db2.gz DJEKRPFJFNDABN-ZSYWTGECSA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000375903959 429013326 /nfs/dbraw/zinc/01/33/26/429013326.db2.gz IVUAGVPDSFWFIT-LPHOPBHVSA-N 2 1 319.468 2.987 20 0 DFADMP CN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000412312759 429014283 /nfs/dbraw/zinc/01/42/83/429014283.db2.gz ICFAVHCYZFYTDC-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423450433 429089331 /nfs/dbraw/zinc/08/93/31/429089331.db2.gz SXIQKMLQLLGRPY-UTLUCORTSA-N 2 1 318.202 2.678 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@@H](C)[NH3+])cc1 ZINC000423448013 429089714 /nfs/dbraw/zinc/08/97/14/429089714.db2.gz POYPHQWWFQWSME-MCIONIFRSA-N 2 1 306.454 2.947 20 0 DFADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423466284 429092273 /nfs/dbraw/zinc/09/22/73/429092273.db2.gz NHZWTDWIAGHJHK-OKYOBFRVSA-N 2 1 301.478 2.757 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)cc(N)c2)[C@H](C)C1 ZINC000423473374 429092558 /nfs/dbraw/zinc/09/25/58/429092558.db2.gz HCDCIPPECLXVBS-APWZRJJASA-N 2 1 319.493 2.804 20 0 DFADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1(C)C ZINC000423464454 429092695 /nfs/dbraw/zinc/09/26/95/429092695.db2.gz BJTXEXWMLLGMQB-HZSPNIEDSA-N 2 1 304.425 2.661 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423475729 429094860 /nfs/dbraw/zinc/09/48/60/429094860.db2.gz RYUHVCDSQBZRQE-ZFWWWQNUSA-N 2 1 306.454 2.948 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OC)c(Br)c1 ZINC000423482206 429096825 /nfs/dbraw/zinc/09/68/25/429096825.db2.gz XHVACXGLADYJKB-GXSJLCMTSA-N 2 1 301.228 2.846 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423281623 429055315 /nfs/dbraw/zinc/05/53/15/429055315.db2.gz VVUIAZLDVQOQFQ-DSLXNQLJSA-N 2 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423281623 429055320 /nfs/dbraw/zinc/05/53/20/429055320.db2.gz VVUIAZLDVQOQFQ-DSLXNQLJSA-N 3 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423281623 429055325 /nfs/dbraw/zinc/05/53/25/429055325.db2.gz VVUIAZLDVQOQFQ-DSLXNQLJSA-N 3 1 301.478 2.627 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000423280857 429055485 /nfs/dbraw/zinc/05/54/85/429055485.db2.gz SXVNPYFUYSJVOL-OLZOCXBDSA-N 2 1 313.214 2.902 20 0 DFADMP FC(F)(F)[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000423280543 429055911 /nfs/dbraw/zinc/05/59/11/429055911.db2.gz SWGLMQOIYDDSPC-KGLIPLIRSA-N 2 1 308.388 2.998 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423276845 429056554 /nfs/dbraw/zinc/05/65/54/429056554.db2.gz NKAKYCXZVMLDLW-OKYOBFRVSA-N 2 1 301.478 2.929 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2C[NH3+])C[C@H]1c1ccccc1 ZINC000423276845 429056559 /nfs/dbraw/zinc/05/65/59/429056559.db2.gz NKAKYCXZVMLDLW-OKYOBFRVSA-N 2 1 301.478 2.929 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CC[NH2+]C2CCCCCC2)cn1 ZINC000423283198 429056674 /nfs/dbraw/zinc/05/66/74/429056674.db2.gz DWMVVGLNGRQPEY-OAHLLOKOSA-N 2 1 305.466 2.923 20 0 DFADMP CC(C)([NH3+])C[NH2+][C@H]1CCCOc2cc(Br)ccc21 ZINC000423286879 429058269 /nfs/dbraw/zinc/05/82/69/429058269.db2.gz JFDFCNQSQHDJHP-LBPRGKRZSA-N 2 1 313.239 2.990 20 0 DFADMP CC(C)([NH3+])CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423289194 429058836 /nfs/dbraw/zinc/05/88/36/429058836.db2.gz WLCGUOYDNOWAME-KZNAEPCWSA-N 3 1 301.478 2.614 20 0 DFADMP C[N@@H+](CCOCC(F)F)C1CCN(CCC(F)(F)F)CC1 ZINC000452117184 429060032 /nfs/dbraw/zinc/06/00/32/429060032.db2.gz NCNILUNZMSITJA-UHFFFAOYSA-N 2 1 318.330 2.617 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000423303344 429060759 /nfs/dbraw/zinc/06/07/59/429060759.db2.gz WXKWBYWODVTGGJ-BHIYHBOVSA-N 2 1 319.493 2.556 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423318634 429063658 /nfs/dbraw/zinc/06/36/58/429063658.db2.gz CRKKXADVAJOQEW-BBWFWOEESA-N 2 1 323.525 2.639 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1C[C@H](C)CC[NH2+]1 ZINC000423325506 429065563 /nfs/dbraw/zinc/06/55/63/429065563.db2.gz IVCUVIVIZPUKQS-QAPCUYQASA-N 2 1 317.477 2.531 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423325526 429065804 /nfs/dbraw/zinc/06/58/04/429065804.db2.gz QBZAGFLEDZEICC-GUYCJALGSA-N 2 1 318.465 2.948 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1ccc(Br)cc1F ZINC000423327203 429066111 /nfs/dbraw/zinc/06/61/11/429066111.db2.gz DAYKGCMPHCYPNP-VHSXEESVSA-N 2 1 301.203 2.848 20 0 DFADMP C[C@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)c(Br)c1 ZINC000423323858 429066350 /nfs/dbraw/zinc/06/63/50/429066350.db2.gz PAGKIKYUXSKHFT-ISVAXAHUSA-N 2 1 301.203 2.976 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423329577 429066419 /nfs/dbraw/zinc/06/64/19/429066419.db2.gz MVTSHFJSKMCJKC-RBSFLKMASA-N 2 1 303.450 2.557 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423338712 429067143 /nfs/dbraw/zinc/06/71/43/429067143.db2.gz UUVLQRLHCXSKPM-MISYRCLQSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338712 429067147 /nfs/dbraw/zinc/06/71/47/429067147.db2.gz UUVLQRLHCXSKPM-MISYRCLQSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338712 429067151 /nfs/dbraw/zinc/06/71/51/429067151.db2.gz UUVLQRLHCXSKPM-MISYRCLQSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338712 429067154 /nfs/dbraw/zinc/06/71/54/429067154.db2.gz UUVLQRLHCXSKPM-MISYRCLQSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H](C[NH3+])N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423331992 429068447 /nfs/dbraw/zinc/06/84/47/429068447.db2.gz QPVIQIMSMBVGLR-OQIJWPOYSA-N 2 1 301.478 2.614 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[C@H](C)[NH3+] ZINC000423341377 429070531 /nfs/dbraw/zinc/07/05/31/429070531.db2.gz CKHWZVZRWHKDDN-WMZOPIPTSA-N 2 1 323.525 2.720 20 0 DFADMP Cn1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000423348187 429070571 /nfs/dbraw/zinc/07/05/71/429070571.db2.gz SDOQQIMSLDWYEC-KRWDZBQOSA-N 2 1 316.836 2.672 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@@H]4C3(C)C)CC2)[nH+]1 ZINC000376176511 429071623 /nfs/dbraw/zinc/07/16/23/429071623.db2.gz BSIUBAXGQCJSCB-NXHRZFHOSA-N 2 1 315.461 2.762 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3[C@H]4CCO[C@H]4C3(C)C)CC2)[nH+]1 ZINC000376176510 429072577 /nfs/dbraw/zinc/07/25/77/429072577.db2.gz BSIUBAXGQCJSCB-KBAYOESNSA-N 2 1 315.461 2.762 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000423362494 429072719 /nfs/dbraw/zinc/07/27/19/429072719.db2.gz IDHPOCGGVSDXRC-OAHLLOKOSA-N 2 1 315.461 2.797 20 0 DFADMP CC(C)[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[C@H](C)[NH3+] ZINC000423356371 429072826 /nfs/dbraw/zinc/07/28/26/429072826.db2.gz GPVDULMDGMCADP-MAUKXSAKSA-N 2 1 319.493 2.762 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@@H](C)CC[NH2+]2)c1 ZINC000423370826 429074491 /nfs/dbraw/zinc/07/44/91/429074491.db2.gz UQIATCZPQCPPMU-MAUKXSAKSA-N 2 1 317.477 2.531 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423368576 429074563 /nfs/dbraw/zinc/07/45/63/429074563.db2.gz SBFAVDBMTBZXLR-YSTOQKLRSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423368576 429074566 /nfs/dbraw/zinc/07/45/66/429074566.db2.gz SBFAVDBMTBZXLR-YSTOQKLRSA-N 3 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423368576 429074570 /nfs/dbraw/zinc/07/45/70/429074570.db2.gz SBFAVDBMTBZXLR-YSTOQKLRSA-N 3 1 313.489 2.914 20 0 DFADMP COCCC[C@H]([NH2+][C@@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000423369847 429074775 /nfs/dbraw/zinc/07/47/75/429074775.db2.gz OYROEFJJGUAVEU-FZMZJTMJSA-N 2 1 315.255 2.854 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423369101 429074991 /nfs/dbraw/zinc/07/49/91/429074991.db2.gz SIVRURZWTJKHOL-INMHGKMJSA-N 2 1 309.498 2.521 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423375083 429077840 /nfs/dbraw/zinc/07/78/40/429077840.db2.gz IRLYYDXUIVZYSE-IMJJTQAJSA-N 2 1 313.449 2.805 20 0 DFADMP C[N@@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1)C1CCCC1 ZINC000423383933 429079231 /nfs/dbraw/zinc/07/92/31/429079231.db2.gz PMATYTSTRGNGAS-QGZVFWFLSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000423405890 429080778 /nfs/dbraw/zinc/08/07/78/429080778.db2.gz UHJODDXAVUSRJN-MQIPJXDCSA-N 2 1 319.840 2.569 20 0 DFADMP C[C@@H](C[NH3+])N[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423400989 429081469 /nfs/dbraw/zinc/08/14/69/429081469.db2.gz QPVIQIMSMBVGLR-JCHJZTRSSA-N 2 1 301.478 2.614 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000423409950 429083232 /nfs/dbraw/zinc/08/32/32/429083232.db2.gz RCJAXISKTFOGNM-XHSDSOJGSA-N 2 1 311.514 2.623 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CNCCN1C)CCCO2 ZINC000423485519 429097520 /nfs/dbraw/zinc/09/75/20/429097520.db2.gz AUPFZBAJROKYTN-WMZOPIPTSA-N 2 1 317.477 2.517 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423427157 429084875 /nfs/dbraw/zinc/08/48/75/429084875.db2.gz IICXTVQAGOCLFC-DOTOQJQBSA-N 2 1 317.477 2.513 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423424085 429085210 /nfs/dbraw/zinc/08/52/10/429085210.db2.gz CLJWLFNMPLHZAK-HAGHYFMRSA-N 3 1 313.489 2.800 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423424085 429085211 /nfs/dbraw/zinc/08/52/11/429085211.db2.gz CLJWLFNMPLHZAK-HAGHYFMRSA-N 3 1 313.489 2.800 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2c1cc(Br)cc2F)[C@H](C)[NH3+] ZINC000423435375 429087241 /nfs/dbraw/zinc/08/72/41/429087241.db2.gz DQGZXBIVEISECK-HHURGBBESA-N 2 1 301.203 2.901 20 0 DFADMP Cn1cncc1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435434512 429142728 /nfs/dbraw/zinc/14/27/28/429142728.db2.gz YMOUXMLEZMRTCA-MRXNPFEDSA-N 2 1 316.474 2.626 20 0 DFADMP Cn1cncc1C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435434512 429142733 /nfs/dbraw/zinc/14/27/33/429142733.db2.gz YMOUXMLEZMRTCA-MRXNPFEDSA-N 2 1 316.474 2.626 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CC1(C)C ZINC000487290645 429147159 /nfs/dbraw/zinc/14/71/59/429147159.db2.gz CPQYEBDYBYWJPS-GDAAHCPNSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CC1(C)C ZINC000487290645 429147166 /nfs/dbraw/zinc/14/71/66/429147166.db2.gz CPQYEBDYBYWJPS-GDAAHCPNSA-N 2 1 316.489 2.894 20 0 DFADMP CC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623028 429153144 /nfs/dbraw/zinc/15/31/44/429153144.db2.gz BFAMIUMREYZWJO-SJORKVTESA-N 2 1 311.514 2.781 20 0 DFADMP CC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435623028 429153149 /nfs/dbraw/zinc/15/31/49/429153149.db2.gz BFAMIUMREYZWJO-SJORKVTESA-N 2 1 311.514 2.781 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000423490865 429098131 /nfs/dbraw/zinc/09/81/31/429098131.db2.gz ZHNDUYWTPVDXNC-VXGBXAGGSA-N 2 1 314.376 2.599 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424138616 429098989 /nfs/dbraw/zinc/09/89/89/429098989.db2.gz CSYFDPBMADCZEQ-KYJSFNMBSA-N 2 1 321.509 2.663 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000452346436 429099185 /nfs/dbraw/zinc/09/91/85/429099185.db2.gz VQXYGIDTSVZTDS-ZWKOTPCHSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423497623 429099325 /nfs/dbraw/zinc/09/93/25/429099325.db2.gz AHQSMJFSCAHICX-KBXCAEBGSA-N 2 1 315.461 2.982 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423497228 429099407 /nfs/dbraw/zinc/09/94/07/429099407.db2.gz GGTHHJKWHXICOJ-GUYCJALGSA-N 2 1 303.450 2.557 20 0 DFADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000376361138 429099840 /nfs/dbraw/zinc/09/98/40/429099840.db2.gz RODMNRBDSBPCGU-KZNAEPCWSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423497229 429100036 /nfs/dbraw/zinc/10/00/36/429100036.db2.gz GGTHHJKWHXICOJ-SUMWQHHRSA-N 2 1 303.450 2.557 20 0 DFADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424148319 429100411 /nfs/dbraw/zinc/10/04/11/429100411.db2.gz UGEDLTWALKWSHA-BPQIPLTHSA-N 2 1 321.509 2.759 20 0 DFADMP C1CCC2(C1)CCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423513708 429103672 /nfs/dbraw/zinc/10/36/72/429103672.db2.gz RUPSTKCBHGNOSL-ABHNRTSZSA-N 2 1 305.510 2.905 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1OCC ZINC000423514762 429105819 /nfs/dbraw/zinc/10/58/19/429105819.db2.gz MRRCMHWMMJOJMD-GOEBONIOSA-N 2 1 322.449 2.513 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423517342 429107137 /nfs/dbraw/zinc/10/71/37/429107137.db2.gz XZIUOFBEKGCUGO-KYHPRHEASA-N 2 1 310.482 2.805 20 0 DFADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000423530227 429111238 /nfs/dbraw/zinc/11/12/38/429111238.db2.gz YNEGVLACDIIWFA-RBUKOAKNSA-N 2 1 301.478 2.801 20 0 DFADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423535017 429111448 /nfs/dbraw/zinc/11/14/48/429111448.db2.gz XASJBETYPUVRKK-BBRMVZONSA-N 2 1 319.449 2.519 20 0 DFADMP COC(=O)CC1CC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000424277587 429118378 /nfs/dbraw/zinc/11/83/78/429118378.db2.gz HATDXZAHLKMOSY-UIDBIOKJSA-N 2 1 308.466 2.571 20 0 DFADMP c1coc(-c2ncc(C[NH2+][C@H]3CCc4[nH+]ccn4C3)s2)c1 ZINC000376472864 429118606 /nfs/dbraw/zinc/11/86/06/429118606.db2.gz QPTHQDMVSXVUBO-NSHDSACASA-N 2 1 300.387 2.704 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424284233 429119636 /nfs/dbraw/zinc/11/96/36/429119636.db2.gz DDAYVTDQKUNGRP-MRXNPFEDSA-N 2 1 318.461 2.928 20 0 DFADMP Fc1ccc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c(F)c1 ZINC000424294436 429120907 /nfs/dbraw/zinc/12/09/07/429120907.db2.gz QJHHSRGCZQCWOL-UHFFFAOYSA-N 2 1 318.371 2.602 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424300580 429122347 /nfs/dbraw/zinc/12/23/47/429122347.db2.gz WURBULGSQKKGPK-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300572 429122445 /nfs/dbraw/zinc/12/24/45/429122445.db2.gz WUBJYEGXZGHULV-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424303229 429123294 /nfs/dbraw/zinc/12/32/94/429123294.db2.gz NPSAVKFNLLXFKW-NVXWUHKLSA-N 2 1 307.457 2.532 20 0 DFADMP COc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000424372092 429130776 /nfs/dbraw/zinc/13/07/76/429130776.db2.gz FLPCIXBRSIBMPS-CQSZACIVSA-N 2 1 304.434 2.668 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424368973 429130902 /nfs/dbraw/zinc/13/09/02/429130902.db2.gz AZIMQBQJACVUMG-CQSZACIVSA-N 2 1 301.434 2.609 20 0 DFADMP O=C(CC[C@@H]1CCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000494640577 429134898 /nfs/dbraw/zinc/13/48/98/429134898.db2.gz BIJCNTOPVILJSF-SFHVURJKSA-N 2 1 321.509 2.633 20 0 DFADMP Cc1nc(COc2ccc(C[NH+]3CCC([NH3+])CC3)cc2)cs1 ZINC000435384582 429135564 /nfs/dbraw/zinc/13/55/64/429135564.db2.gz NHGVFKDROKKMSG-UHFFFAOYSA-N 2 1 317.458 2.954 20 0 DFADMP CC[N@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)[C@H]1CCC[NH2+]CC1 ZINC000435388933 429135871 /nfs/dbraw/zinc/13/58/71/429135871.db2.gz IECGZZWHFVTOCH-YOEHRIQHSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)[C@H]1CCC[NH2+]CC1 ZINC000435388933 429135876 /nfs/dbraw/zinc/13/58/76/429135876.db2.gz IECGZZWHFVTOCH-YOEHRIQHSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@H+](Cc1cc(OC)c(OC)cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435389104 429137366 /nfs/dbraw/zinc/13/73/66/429137366.db2.gz IYAYVNIIQVGNTN-OAHLLOKOSA-N 2 1 322.449 2.676 20 0 DFADMP CC[N@@H+](Cc1cc(OC)c(OC)cc1OC)[C@@H]1CCC[NH2+]CC1 ZINC000435389104 429137371 /nfs/dbraw/zinc/13/73/71/429137371.db2.gz IYAYVNIIQVGNTN-OAHLLOKOSA-N 2 1 322.449 2.676 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccccn2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435445713 429141202 /nfs/dbraw/zinc/14/12/02/429141202.db2.gz GPOGJWKEIPIHMQ-CYBMUJFWSA-N 2 1 302.447 2.779 20 0 DFADMP C[N@@H+](Cc1cnc(-c2ccccn2)s1)[C@@H]1CCC[NH2+]CC1 ZINC000435445713 429141205 /nfs/dbraw/zinc/14/12/05/429141205.db2.gz GPOGJWKEIPIHMQ-CYBMUJFWSA-N 2 1 302.447 2.779 20 0 DFADMP Cn1ccnc1C[N@@H+](CC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432364 429141827 /nfs/dbraw/zinc/14/18/27/429141827.db2.gz IOVZZMUWFRCTJQ-MRXNPFEDSA-N 2 1 302.466 2.554 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494885036 429161735 /nfs/dbraw/zinc/16/17/35/429161735.db2.gz DDGBSZBJUVPVTR-QGZVFWFLSA-N 2 1 317.477 2.674 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)[C@H]1C ZINC000494905559 429163671 /nfs/dbraw/zinc/16/36/71/429163671.db2.gz AUTDZZXWVAZLLQ-LCLWPZTBSA-N 2 1 315.505 2.999 20 0 DFADMP Cc1ccccc1[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000494937212 429165050 /nfs/dbraw/zinc/16/50/50/429165050.db2.gz DMYABGIESZCNEF-RBUKOAKNSA-N 2 1 302.462 2.883 20 0 DFADMP Cc1ccccc1[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000494937212 429165051 /nfs/dbraw/zinc/16/50/51/429165051.db2.gz DMYABGIESZCNEF-RBUKOAKNSA-N 2 1 302.462 2.883 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@H]1Cc3[nH]c4ccccc4c3C1)CC2 ZINC000373021000 275073118 /nfs/dbraw/zinc/07/31/18/275073118.db2.gz DPTUQTFFENOCQL-UONOGXRCSA-N 2 1 306.413 2.684 20 0 DFADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[C@@H]2C)c1 ZINC000495060138 429176250 /nfs/dbraw/zinc/17/62/50/429176250.db2.gz QCMKNQNZNVCZOR-JTDSTZFVSA-N 2 1 320.477 2.778 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000436297772 429195962 /nfs/dbraw/zinc/19/59/62/429195962.db2.gz NXPUSLGUIHFJMD-AYOQOUSVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436297772 429195965 /nfs/dbraw/zinc/19/59/65/429195965.db2.gz NXPUSLGUIHFJMD-AYOQOUSVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297772 429195968 /nfs/dbraw/zinc/19/59/68/429195968.db2.gz NXPUSLGUIHFJMD-AYOQOUSVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436297772 429195972 /nfs/dbraw/zinc/19/59/72/429195972.db2.gz NXPUSLGUIHFJMD-AYOQOUSVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297772 429195976 /nfs/dbraw/zinc/19/59/76/429195976.db2.gz NXPUSLGUIHFJMD-AYOQOUSVSA-N 2 1 305.510 2.856 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436278291 429194102 /nfs/dbraw/zinc/19/41/02/429194102.db2.gz CHVPPMOFKAKPJD-CYBMUJFWSA-N 2 1 304.463 2.960 20 0 DFADMP CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000364591019 429231489 /nfs/dbraw/zinc/23/14/89/429231489.db2.gz LGNVWQGVVKQOBK-MSOLQXFVSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495393011 429205266 /nfs/dbraw/zinc/20/52/66/429205266.db2.gz JNHODAZMLJYGPQ-KBPBESRZSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495393011 429205269 /nfs/dbraw/zinc/20/52/69/429205269.db2.gz JNHODAZMLJYGPQ-KBPBESRZSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000495393011 429205271 /nfs/dbraw/zinc/20/52/71/429205271.db2.gz JNHODAZMLJYGPQ-KBPBESRZSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000495393011 429205274 /nfs/dbraw/zinc/20/52/74/429205274.db2.gz JNHODAZMLJYGPQ-KBPBESRZSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000442767300 429235003 /nfs/dbraw/zinc/23/50/03/429235003.db2.gz YFVWBYJEJGOKSX-NWDGAFQWSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@@H]1C[C@H](CNC(=[NH2+])N(C)C2CC2)C[N@H+]1Cc1ccccc1 ZINC000364637553 429239218 /nfs/dbraw/zinc/23/92/18/429239218.db2.gz ZBPOVZGKROYQDJ-GDBMZVCRSA-N 2 1 300.450 2.516 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364675090 429247811 /nfs/dbraw/zinc/24/78/11/429247811.db2.gz SELCCXMXGYNFBK-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364675090 429247816 /nfs/dbraw/zinc/24/78/16/429247816.db2.gz SELCCXMXGYNFBK-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CCCN(c2ncccc2F)CC1 ZINC000364747321 429262052 /nfs/dbraw/zinc/26/20/52/429262052.db2.gz AHRNGDPYGAQHHZ-INIZCTEOSA-N 2 1 320.456 2.607 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2ncccc2F)CC1 ZINC000364747321 429262054 /nfs/dbraw/zinc/26/20/54/429262054.db2.gz AHRNGDPYGAQHHZ-INIZCTEOSA-N 2 1 320.456 2.607 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2ncccc2F)CC1 ZINC000364747321 429262058 /nfs/dbraw/zinc/26/20/58/429262058.db2.gz AHRNGDPYGAQHHZ-INIZCTEOSA-N 2 1 320.456 2.607 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN(c2ncccc2F)CC1 ZINC000364747321 429262059 /nfs/dbraw/zinc/26/20/59/429262059.db2.gz AHRNGDPYGAQHHZ-INIZCTEOSA-N 2 1 320.456 2.607 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN(c2ncccc2F)CC1 ZINC000364747321 429262062 /nfs/dbraw/zinc/26/20/62/429262062.db2.gz AHRNGDPYGAQHHZ-INIZCTEOSA-N 2 1 320.456 2.607 20 0 DFADMP Cc1cc(F)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c(F)c1 ZINC000425337832 429266531 /nfs/dbraw/zinc/26/65/31/429266531.db2.gz OJFISZIDBGSCQK-UHFFFAOYSA-N 2 1 312.404 2.816 20 0 DFADMP CC[N@@H+](CC(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)C1CC1 ZINC000456279858 429270636 /nfs/dbraw/zinc/27/06/36/429270636.db2.gz PSNDYTPWUTUUGV-KRWDZBQOSA-N 2 1 301.434 2.658 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)N1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364983617 429271040 /nfs/dbraw/zinc/27/10/40/429271040.db2.gz RRRLOWGTTIBLFE-ZWKOTPCHSA-N 2 1 317.477 2.627 20 0 DFADMP CC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)C1CCCCC1 ZINC000495858985 429281922 /nfs/dbraw/zinc/28/19/22/429281922.db2.gz NEQKFVXMGXTRIW-SFHVURJKSA-N 2 1 321.465 2.515 20 0 DFADMP COCCOc1ccccc1C[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365463054 429324489 /nfs/dbraw/zinc/32/44/89/429324489.db2.gz QZVFCGXNWFLOQS-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000365463054 429324491 /nfs/dbraw/zinc/32/44/91/429324491.db2.gz QZVFCGXNWFLOQS-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000449087871 429328423 /nfs/dbraw/zinc/32/84/23/429328423.db2.gz XFZHDOFUFAWOEY-JKSUJKDBSA-N 2 1 311.514 2.781 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)[nH]c1C ZINC000449089207 429328760 /nfs/dbraw/zinc/32/87/60/429328760.db2.gz KBZDKVJQTPDWOX-CQSZACIVSA-N 2 1 321.465 2.711 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449109928 429334487 /nfs/dbraw/zinc/33/44/87/429334487.db2.gz ZOVMUSPZTHEVAM-UHFFFAOYSA-N 2 1 301.390 2.533 20 0 DFADMP FC(F)Oc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000365554412 429339713 /nfs/dbraw/zinc/33/97/13/429339713.db2.gz KWIAXECISMWDAU-ZDUSSCGKSA-N 2 1 307.344 2.837 20 0 DFADMP CSCC1CCC([NH2+]CC2([NH+](C)C)CCOCC2)CC1 ZINC000449152594 429345477 /nfs/dbraw/zinc/34/54/77/429345477.db2.gz GSDFHFZMCVNFCQ-UHFFFAOYSA-N 2 1 300.512 2.609 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000425425295 429293396 /nfs/dbraw/zinc/29/33/96/429293396.db2.gz YBOLOJINPACHBG-IEBWSBKVSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@H](C[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425295 429293400 /nfs/dbraw/zinc/29/34/00/429293400.db2.gz YBOLOJINPACHBG-IEBWSBKVSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@H](C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425295 429293405 /nfs/dbraw/zinc/29/34/05/429293405.db2.gz YBOLOJINPACHBG-IEBWSBKVSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@@H](C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000425425447 429293693 /nfs/dbraw/zinc/29/36/93/429293693.db2.gz UGZGEDAMRLAYDC-SFHVURJKSA-N 2 1 303.450 2.655 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495940000 429296338 /nfs/dbraw/zinc/29/63/38/429296338.db2.gz JEMWQNVDPWIAIY-CABCVRRESA-N 2 1 313.486 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCCN(C)C(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495940000 429296343 /nfs/dbraw/zinc/29/63/43/429296343.db2.gz JEMWQNVDPWIAIY-CABCVRRESA-N 2 1 313.486 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000495940000 429296346 /nfs/dbraw/zinc/29/63/46/429296346.db2.gz JEMWQNVDPWIAIY-CABCVRRESA-N 2 1 313.486 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH+]1C ZINC000495940000 429296351 /nfs/dbraw/zinc/29/63/51/429296351.db2.gz JEMWQNVDPWIAIY-CABCVRRESA-N 2 1 313.486 2.658 20 0 DFADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000490632811 429298750 /nfs/dbraw/zinc/29/87/50/429298750.db2.gz UWMKUJYZYMFOGV-WSTZPKSXSA-N 2 1 315.505 2.748 20 0 DFADMP COC(=O)[C@@H](CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000425484869 429306720 /nfs/dbraw/zinc/30/67/20/429306720.db2.gz SWCBWSLUMGDOJO-MSOLQXFVSA-N 2 1 318.461 2.749 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000365407763 429313716 /nfs/dbraw/zinc/31/37/16/429313716.db2.gz SOKIQIQGKVANFH-KRWDZBQOSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)C1 ZINC000491686423 429391088 /nfs/dbraw/zinc/39/10/88/429391088.db2.gz QPCQBONVAATHHG-YERXGYGTSA-N 2 1 315.461 2.975 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000517795062 429400224 /nfs/dbraw/zinc/40/02/24/429400224.db2.gz FZSDJUCRVBVXAB-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000517795062 429400234 /nfs/dbraw/zinc/40/02/34/429400234.db2.gz FZSDJUCRVBVXAB-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000449170907 429349456 /nfs/dbraw/zinc/34/94/56/429349456.db2.gz JIKSZHDESGZZLN-DYVFJYSZSA-N 2 1 316.424 2.799 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@H](C)C1 ZINC000425952307 429353929 /nfs/dbraw/zinc/35/39/29/429353929.db2.gz PAVNAMBISXEIFH-HIFRSBDPSA-N 2 1 304.425 2.758 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)Cc3ccoc3)CC2)nc(C)[nH+]1 ZINC000449228526 429362944 /nfs/dbraw/zinc/36/29/44/429362944.db2.gz YWQNKEHWDIHWLA-CYBMUJFWSA-N 2 1 314.433 2.876 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)N1CCc2ccccc21 ZINC000513689414 429363062 /nfs/dbraw/zinc/36/30/62/429363062.db2.gz BVIZAKQYGVEEDM-MJKGWSOKSA-N 2 1 313.489 2.900 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449243510 429365074 /nfs/dbraw/zinc/36/50/74/429365074.db2.gz LHBUTEJIQBLDIW-MSOLQXFVSA-N 2 1 320.864 2.932 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449243510 429365076 /nfs/dbraw/zinc/36/50/76/429365076.db2.gz LHBUTEJIQBLDIW-MSOLQXFVSA-N 2 1 320.864 2.932 20 0 DFADMP COc1cc(C)ccc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000449284280 429375703 /nfs/dbraw/zinc/37/57/03/429375703.db2.gz OOUZJOORAGNPRB-INIZCTEOSA-N 2 1 306.450 2.594 20 0 DFADMP COc1cc(C)ccc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000449284280 429375709 /nfs/dbraw/zinc/37/57/09/429375709.db2.gz OOUZJOORAGNPRB-INIZCTEOSA-N 2 1 306.450 2.594 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491593324 429379086 /nfs/dbraw/zinc/37/90/86/429379086.db2.gz FHGQJWMEVKFXDK-CYBMUJFWSA-N 2 1 318.440 2.916 20 0 DFADMP CO[C@H]1C[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)C12CCC2 ZINC000449632838 429465150 /nfs/dbraw/zinc/46/51/50/429465150.db2.gz NXPBFKQRNVXYKO-KBPBESRZSA-N 2 1 309.479 2.594 20 0 DFADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000519607425 429469436 /nfs/dbraw/zinc/46/94/36/429469436.db2.gz PDLSOLXGYJPMNR-LBPRGKRZSA-N 2 1 312.417 2.543 20 0 DFADMP CCC[NH+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)CC1 ZINC000518383756 429419927 /nfs/dbraw/zinc/41/99/27/429419927.db2.gz RMEYRLUCTJCYEZ-UHFFFAOYSA-N 2 1 300.450 2.985 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000427119879 429433958 /nfs/dbraw/zinc/43/39/58/429433958.db2.gz NNCWDPKVUJYDOZ-RBUKOAKNSA-N 2 1 315.505 2.828 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)ccn1 ZINC000427126932 429434219 /nfs/dbraw/zinc/43/42/19/429434219.db2.gz BUARFQWFGLMOAP-AZUAARDMSA-N 2 1 323.440 2.844 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)ccn1 ZINC000427126932 429434221 /nfs/dbraw/zinc/43/42/21/429434221.db2.gz BUARFQWFGLMOAP-AZUAARDMSA-N 2 1 323.440 2.844 20 0 DFADMP c1csc([C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ncc[nH]2)c1 ZINC000366860509 429527423 /nfs/dbraw/zinc/52/74/23/429527423.db2.gz YTEVHWMERGKZLX-DOMZBBRYSA-N 2 1 313.430 2.609 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000428494579 429529676 /nfs/dbraw/zinc/52/96/76/429529676.db2.gz AEMIGCPJCJNNPX-HNNXBMFYSA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000428494579 429529681 /nfs/dbraw/zinc/52/96/81/429529681.db2.gz AEMIGCPJCJNNPX-HNNXBMFYSA-N 2 1 308.470 2.633 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000366563360 429476055 /nfs/dbraw/zinc/47/60/55/429476055.db2.gz CBWUKDWYCWNQLT-SFHVURJKSA-N 2 1 321.465 2.632 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000366563360 429476060 /nfs/dbraw/zinc/47/60/60/429476060.db2.gz CBWUKDWYCWNQLT-SFHVURJKSA-N 2 1 321.465 2.632 20 0 DFADMP CC[C@H](C[NH2+]C1CCC(c2nc(C)no2)CC1)[NH+]1CCCC1 ZINC000366605052 429485894 /nfs/dbraw/zinc/48/58/94/429485894.db2.gz SLBDZEGUGIALML-UYSNPLJNSA-N 2 1 306.454 2.868 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[C@@H]1CO ZINC000449711256 429486422 /nfs/dbraw/zinc/48/64/22/429486422.db2.gz OGTAHUGSLRKLLC-QZTJIDSGSA-N 2 1 304.478 2.895 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722339 429488242 /nfs/dbraw/zinc/48/82/42/429488242.db2.gz KPJZHPOGGLTHHZ-WBVHZDCISA-N 2 1 315.461 2.528 20 0 DFADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)C2 ZINC000366668368 429490846 /nfs/dbraw/zinc/49/08/46/429490846.db2.gz WQWBJIQQGDQBJF-MLGOLLRUSA-N 2 1 301.821 2.856 20 0 DFADMP Cc1nc(C(C)C)oc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000428207066 429499118 /nfs/dbraw/zinc/49/91/18/429499118.db2.gz OMIWRLCBBZVSET-AWEZNQCLSA-N 2 1 323.481 2.631 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1)C1CC1 ZINC000449755499 429500355 /nfs/dbraw/zinc/50/03/55/429500355.db2.gz UFHPXVBJTWHOEF-QGZVFWFLSA-N 2 1 315.461 2.541 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1F ZINC000366744155 429504852 /nfs/dbraw/zinc/50/48/52/429504852.db2.gz HOOODADJKQXOJY-AWEZNQCLSA-N 2 1 303.381 2.773 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000366744779 429505359 /nfs/dbraw/zinc/50/53/59/429505359.db2.gz KDGBMTLUSMMPEZ-INIZCTEOSA-N 3 1 316.493 2.832 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCN2CCc3ccccc32)CC1 ZINC000428253006 429506371 /nfs/dbraw/zinc/50/63/71/429506371.db2.gz NSOXUZXXWRQRPZ-UHFFFAOYSA-N 2 1 301.478 2.854 20 0 DFADMP c1ccc2c(c1)CCN2CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000428254036 429506526 /nfs/dbraw/zinc/50/65/26/429506526.db2.gz FMYZTGSERKSINC-SFHVURJKSA-N 2 1 313.489 2.857 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000366749614 429506696 /nfs/dbraw/zinc/50/66/96/429506696.db2.gz ZSJDCMTXFLDJQE-HOCLYGCPSA-N 2 1 311.429 2.601 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+]CC[N@@H+]2CCCC2(C)C)CC1 ZINC000449782646 429507601 /nfs/dbraw/zinc/50/76/01/429507601.db2.gz LJDLMNAAZRCBDG-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+]CC[N@H+]2CCCC2(C)C)CC1 ZINC000449782646 429507603 /nfs/dbraw/zinc/50/76/03/429507603.db2.gz LJDLMNAAZRCBDG-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000366749981 429507628 /nfs/dbraw/zinc/50/76/28/429507628.db2.gz HXQGBQWCMLGGPX-ZDUSSCGKSA-N 2 1 319.478 2.538 20 0 DFADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000449783045 429511323 /nfs/dbraw/zinc/51/13/23/429511323.db2.gz MVZCPRYGSWYFGY-JQFCIGGWSA-N 2 1 306.425 2.982 20 0 DFADMP CCC[C@H](C)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431615 429519495 /nfs/dbraw/zinc/51/94/95/429519495.db2.gz MRMVUMPUTUMMFA-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H](C)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428431615 429519497 /nfs/dbraw/zinc/51/94/97/429519497.db2.gz MRMVUMPUTUMMFA-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H](C)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428431615 429519500 /nfs/dbraw/zinc/51/95/00/429519500.db2.gz MRMVUMPUTUMMFA-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H](C)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428431615 429519504 /nfs/dbraw/zinc/51/95/04/429519504.db2.gz MRMVUMPUTUMMFA-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[C@H](CO)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000520604378 429522061 /nfs/dbraw/zinc/52/20/61/429522061.db2.gz RABOJAWNDDRKHZ-IBGZPJMESA-N 2 1 315.461 2.872 20 0 DFADMP CC(C)[C@H](CO)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000520604378 429522064 /nfs/dbraw/zinc/52/20/64/429522064.db2.gz RABOJAWNDDRKHZ-IBGZPJMESA-N 2 1 315.461 2.872 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000520579417 429522297 /nfs/dbraw/zinc/52/22/97/429522297.db2.gz UQBINQXFQMXJTR-QGZVFWFLSA-N 2 1 309.498 2.619 20 0 DFADMP C[N@@H+](C[C@H](O)CN1CCC(OCC2CCCCC2)CC1)C1CC1 ZINC000521318463 429547565 /nfs/dbraw/zinc/54/75/65/429547565.db2.gz BHDBUKDYAYAOKT-SFHVURJKSA-N 2 1 324.509 2.503 20 0 DFADMP CN(C[C@H](O)C[NH+]1CCC(OCC2CCCCC2)CC1)C1CC1 ZINC000521318463 429547569 /nfs/dbraw/zinc/54/75/69/429547569.db2.gz BHDBUKDYAYAOKT-SFHVURJKSA-N 2 1 324.509 2.503 20 0 DFADMP C(CN1CCOCC12CCCC2)C[N@H+]1CCOCC12CCCC2 ZINC000367044955 429566407 /nfs/dbraw/zinc/56/64/07/429566407.db2.gz IVXVVTCSIXVWLG-UHFFFAOYSA-N 2 1 322.493 2.667 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000429016925 429571855 /nfs/dbraw/zinc/57/18/55/429571855.db2.gz DLSQMIUWNKUIBS-HNNXBMFYSA-N 2 1 310.344 2.536 20 0 DFADMP CCn1nccc1CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367122183 429583129 /nfs/dbraw/zinc/58/31/29/429583129.db2.gz XVXFUOJGMAXSHL-INIZCTEOSA-N 2 1 316.493 2.642 20 0 DFADMP C(C[NH+]1CCCO[C@@H]2CCC[C@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000366930281 429541284 /nfs/dbraw/zinc/54/12/84/429541284.db2.gz ROQKJHVQXMACGJ-NCXUSEDFSA-N 2 1 322.493 2.663 20 0 DFADMP C[C@@H](O)c1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000367303978 429617682 /nfs/dbraw/zinc/61/76/82/429617682.db2.gz YPOBXCPWQKBQMC-CYBMUJFWSA-N 2 1 309.479 2.504 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000450438096 429625562 /nfs/dbraw/zinc/62/55/62/429625562.db2.gz JWYDSTRZYDWBSN-BHIYHBOVSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000450454370 429628957 /nfs/dbraw/zinc/62/89/57/429628957.db2.gz OHHYSLUWVRRBSK-IMFGXOCKSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000450454370 429628959 /nfs/dbraw/zinc/62/89/59/429628959.db2.gz OHHYSLUWVRRBSK-IMFGXOCKSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000450454370 429628964 /nfs/dbraw/zinc/62/89/64/429628964.db2.gz OHHYSLUWVRRBSK-IMFGXOCKSA-N 2 1 316.489 2.815 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000450456809 429632139 /nfs/dbraw/zinc/63/21/39/429632139.db2.gz ULXANWLROLLOBC-LJQANCHMSA-N 2 1 318.461 2.822 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000450466243 429633511 /nfs/dbraw/zinc/63/35/11/429633511.db2.gz IJLUKKSEUOCIBF-NBMJBFSESA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000450466243 429633516 /nfs/dbraw/zinc/63/35/16/429633516.db2.gz IJLUKKSEUOCIBF-NBMJBFSESA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)c2ccccc2)C[C@@H]1C ZINC000450466243 429633519 /nfs/dbraw/zinc/63/35/19/429633519.db2.gz IJLUKKSEUOCIBF-NBMJBFSESA-N 2 1 304.478 2.956 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000450469799 429636580 /nfs/dbraw/zinc/63/65/80/429636580.db2.gz HSASYHPFGWDVQQ-MOPGFXCFSA-N 2 1 313.445 2.914 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000450469799 429636583 /nfs/dbraw/zinc/63/65/83/429636583.db2.gz HSASYHPFGWDVQQ-MOPGFXCFSA-N 2 1 313.445 2.914 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450478493 429637956 /nfs/dbraw/zinc/63/79/56/429637956.db2.gz GUVUXTWSGHRVEG-NQYYFHDYSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1CCC[C@@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000525024669 429642605 /nfs/dbraw/zinc/64/26/05/429642605.db2.gz YVOMXPRAZVAMKX-HUUCEWRRSA-N 2 1 316.449 2.598 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000525180359 429648890 /nfs/dbraw/zinc/64/88/90/429648890.db2.gz YMWJSVJTINFFJK-BZUAXINKSA-N 2 1 307.507 2.815 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@H](C)O)[C@@H](C)C3)c2c1 ZINC000450314178 429597210 /nfs/dbraw/zinc/59/72/10/429597210.db2.gz TYBADJJRNUJTIP-GJZGRUSLSA-N 2 1 313.445 2.689 20 0 DFADMP C[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000429352054 429601954 /nfs/dbraw/zinc/60/19/54/429601954.db2.gz HIDBKIVRAOWQAK-YJBOKZPZSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2ccc(Cl)cc2)CC1 ZINC000450365653 429610230 /nfs/dbraw/zinc/61/02/30/429610230.db2.gz PGVOYECMGKTRGE-HNNXBMFYSA-N 2 1 324.896 2.907 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450386771 429613514 /nfs/dbraw/zinc/61/35/14/429613514.db2.gz GBVBZRGCPMERCC-XBMUEBEBSA-N 2 1 305.510 2.669 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000429537417 429614654 /nfs/dbraw/zinc/61/46/54/429614654.db2.gz FHAWFVMVFBLVAQ-HNNXBMFYSA-N 2 1 321.440 2.879 20 0 DFADMP C[C@H]1C[N@@H+](CCC2=CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450646465 429668812 /nfs/dbraw/zinc/66/88/12/429668812.db2.gz MVNPGORROPUJTM-PKOBYXMFSA-N 2 1 305.510 2.835 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000271257885 276073610 /nfs/dbraw/zinc/07/36/10/276073610.db2.gz HNKQEPZMTJAWNK-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP CC[NH+](C)C[C@@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271257885 276073611 /nfs/dbraw/zinc/07/36/11/276073611.db2.gz HNKQEPZMTJAWNK-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP CC[NH+](C)C[C@@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271257885 276073612 /nfs/dbraw/zinc/07/36/12/276073612.db2.gz HNKQEPZMTJAWNK-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC2(C(=O)OC)CC2)CC1)CC1CC1 ZINC000450657491 429671835 /nfs/dbraw/zinc/67/18/35/429671835.db2.gz ZVCWTTDRGKIVKR-UHFFFAOYSA-N 2 1 322.493 2.774 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000357401502 276115177 /nfs/dbraw/zinc/11/51/77/276115177.db2.gz PTIOYLIDUXGGJZ-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)O2 ZINC000180004260 276193231 /nfs/dbraw/zinc/19/32/31/276193231.db2.gz PPKNLAVFZBJNNY-RXBBHQPVSA-N 2 1 310.482 2.627 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599900 429682960 /nfs/dbraw/zinc/68/29/60/429682960.db2.gz IMXYIPUWYUGUAZ-QRVBRYPASA-N 2 1 301.478 2.581 20 0 DFADMP C[N@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599900 429682964 /nfs/dbraw/zinc/68/29/64/429682964.db2.gz IMXYIPUWYUGUAZ-QRVBRYPASA-N 2 1 301.478 2.581 20 0 DFADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367599900 429682969 /nfs/dbraw/zinc/68/29/69/429682969.db2.gz IMXYIPUWYUGUAZ-QRVBRYPASA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@@H](C)C1 ZINC000247164743 276229427 /nfs/dbraw/zinc/22/94/27/276229427.db2.gz XZNSYDBVDMKYOI-ZWOKBUDYSA-N 2 1 315.505 2.753 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH2+][C@@](C)(C[NH3+])C(C)C ZINC000430544796 429690206 /nfs/dbraw/zinc/69/02/06/429690206.db2.gz GTUXRZCVDBYJFB-INIZCTEOSA-N 2 1 309.479 2.700 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000430553745 429690252 /nfs/dbraw/zinc/69/02/52/429690252.db2.gz LUZIGGPVGPLLEW-ZHCJQAHYSA-N 2 1 311.514 2.621 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C ZINC000430553745 429690257 /nfs/dbraw/zinc/69/02/57/429690257.db2.gz LUZIGGPVGPLLEW-ZHCJQAHYSA-N 2 1 311.514 2.621 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@@H]21 ZINC000367638985 429691331 /nfs/dbraw/zinc/69/13/31/429691331.db2.gz SLIVCHSJKIQJJL-QYZOEREBSA-N 2 1 310.445 2.835 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000367613176 429684354 /nfs/dbraw/zinc/68/43/54/429684354.db2.gz BRUNJJWXJUIQGG-NUJGCVRESA-N 3 1 312.461 2.807 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000367624632 429687051 /nfs/dbraw/zinc/68/70/51/429687051.db2.gz WJDHYFBHFCSLAU-UFYCRDLUSA-N 2 1 324.472 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000367624631 429687212 /nfs/dbraw/zinc/68/72/12/429687212.db2.gz WJDHYFBHFCSLAU-SLFFLAALSA-N 2 1 324.472 2.894 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367621286 429688010 /nfs/dbraw/zinc/68/80/10/429688010.db2.gz ZVOCVNKCODMVOI-KSZLIROESA-N 2 1 301.434 2.607 20 0 DFADMP Cc1cccc2ncc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)n21 ZINC000367685814 429699503 /nfs/dbraw/zinc/69/95/03/429699503.db2.gz LBYDTMIXKZNBQB-KRWDZBQOSA-N 2 1 312.461 2.806 20 0 DFADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430574890 429694509 /nfs/dbraw/zinc/69/45/09/429694509.db2.gz PERDLKOQSAPBIO-SJORKVTESA-N 2 1 321.465 2.718 20 0 DFADMP CC[C@@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430574890 429694513 /nfs/dbraw/zinc/69/45/13/429694513.db2.gz PERDLKOQSAPBIO-SJORKVTESA-N 2 1 321.465 2.718 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000430570777 429694610 /nfs/dbraw/zinc/69/46/10/429694610.db2.gz CDTPMVYISHWLAQ-ZMSDIMECSA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000430570777 429694613 /nfs/dbraw/zinc/69/46/13/429694613.db2.gz CDTPMVYISHWLAQ-ZMSDIMECSA-N 2 1 305.466 2.558 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578333 429697359 /nfs/dbraw/zinc/69/73/59/429697359.db2.gz YLUXZRDCLJAKBE-CHWSQXEVSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)C1 ZINC000367673250 429697883 /nfs/dbraw/zinc/69/78/83/429697883.db2.gz RCZJALWQPSWVSF-LMMKCTJWSA-N 2 1 307.526 2.913 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430613431 429700580 /nfs/dbraw/zinc/70/05/80/429700580.db2.gz VMLHPZIHWMPXLR-HIFRSBDPSA-N 2 1 321.490 2.939 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430613431 429700581 /nfs/dbraw/zinc/70/05/81/429700581.db2.gz VMLHPZIHWMPXLR-HIFRSBDPSA-N 2 1 321.490 2.939 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430602948 429700609 /nfs/dbraw/zinc/70/06/09/429700609.db2.gz IGHVHZWCBIJSQM-LBPRGKRZSA-N 2 1 302.340 2.755 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH+]2CCC(C[NH3+])CC2)c(Cl)c1 ZINC000430626767 429703417 /nfs/dbraw/zinc/70/34/17/429703417.db2.gz MDWCJTFLJKQZAM-ZDUSSCGKSA-N 2 1 323.868 2.955 20 0 DFADMP CC(C)C[C@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000450812531 429704844 /nfs/dbraw/zinc/70/48/44/429704844.db2.gz NLVQSCBQQAUVME-JYJNAYRXSA-N 2 1 310.461 2.699 20 0 DFADMP C[C@@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC[C@H]1[NH3+] ZINC000430917744 429723446 /nfs/dbraw/zinc/72/34/46/429723446.db2.gz FGCBEKRVDCIBAV-BXUZGUMPSA-N 2 1 320.824 2.602 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]C2C3CC4CC(C3)CC2C4)CC1 ZINC000482348014 429724249 /nfs/dbraw/zinc/72/42/49/429724249.db2.gz FQAXYPAGIHGFER-UHFFFAOYSA-N 2 1 319.537 2.674 20 0 DFADMP C[NH2+]CC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000430928422 429724813 /nfs/dbraw/zinc/72/48/13/429724813.db2.gz LMCDMDSWZQCTGA-CYBMUJFWSA-N 2 1 321.490 2.667 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430931438 429725077 /nfs/dbraw/zinc/72/50/77/429725077.db2.gz CYHZUNDRTPVHPH-OAHLLOKOSA-N 2 1 311.429 2.710 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000430927307 429725297 /nfs/dbraw/zinc/72/52/97/429725297.db2.gz ICTCLKUFVLMCGQ-MLGOLLRUSA-N 2 1 321.852 2.505 20 0 DFADMP C[C@@H]1C[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430947989 429726864 /nfs/dbraw/zinc/72/68/64/429726864.db2.gz GRFWCUVEUAPMIL-BXUZGUMPSA-N 2 1 318.339 2.633 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430938355 429727628 /nfs/dbraw/zinc/72/76/28/429727628.db2.gz BMDMPFBMDKZTLZ-MRXNPFEDSA-N 2 1 309.413 2.720 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430963325 429731598 /nfs/dbraw/zinc/73/15/98/429731598.db2.gz UHUPMILIIBNNGZ-LLVKDONJSA-N 2 1 303.233 2.914 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2cc(Cl)cc(Cl)c2)C1 ZINC000430963325 429731602 /nfs/dbraw/zinc/73/16/02/429731602.db2.gz UHUPMILIIBNNGZ-LLVKDONJSA-N 2 1 303.233 2.914 20 0 DFADMP [NH3+]C[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430966838 429732348 /nfs/dbraw/zinc/73/23/48/429732348.db2.gz QGSYXQCQFSLLQC-LLVKDONJSA-N 2 1 320.234 2.778 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430966838 429732351 /nfs/dbraw/zinc/73/23/51/429732351.db2.gz QGSYXQCQFSLLQC-LLVKDONJSA-N 2 1 320.234 2.778 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC2(CC[NH2+]C2)CC1 ZINC000431028418 429736020 /nfs/dbraw/zinc/73/60/20/429736020.db2.gz QGBDBMKDMRWNHO-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP Cc1ccc2c(c1)[C@H](NC[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)[C@@H](C)C2 ZINC000367886806 429736114 /nfs/dbraw/zinc/73/61/14/429736114.db2.gz QSWHSHXVFWLEAU-KNIMUDFMSA-N 2 1 300.446 2.681 20 0 DFADMP Cc1ccc2c(c1)[C@H](NC[C@@H]1C[N@H+]3CCC[C@@H]3CO1)[C@@H](C)C2 ZINC000367886806 429736119 /nfs/dbraw/zinc/73/61/19/429736119.db2.gz QSWHSHXVFWLEAU-KNIMUDFMSA-N 2 1 300.446 2.681 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@@H]3CO1)[C@@H](C)C2 ZINC000367886806 429736124 /nfs/dbraw/zinc/73/61/24/429736124.db2.gz QSWHSHXVFWLEAU-KNIMUDFMSA-N 2 1 300.446 2.681 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@@H]3CO1)[C@@H](C)C2 ZINC000367886806 429736125 /nfs/dbraw/zinc/73/61/25/429736125.db2.gz QSWHSHXVFWLEAU-KNIMUDFMSA-N 2 1 300.446 2.681 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000431045775 429736925 /nfs/dbraw/zinc/73/69/25/429736925.db2.gz AIMQHSBZRILMAU-IKGGRYGDSA-N 2 1 309.498 2.521 20 0 DFADMP Cc1nnc(C[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000367887660 429737276 /nfs/dbraw/zinc/73/72/76/429737276.db2.gz VMBFOPNIIVBTEX-UHFFFAOYSA-N 2 1 317.462 2.590 20 0 DFADMP Cc1nnc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)s1 ZINC000367887660 429737279 /nfs/dbraw/zinc/73/72/79/429737279.db2.gz VMBFOPNIIVBTEX-UHFFFAOYSA-N 2 1 317.462 2.590 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000431045776 429737516 /nfs/dbraw/zinc/73/75/16/429737516.db2.gz AIMQHSBZRILMAU-IXDOHACOSA-N 2 1 309.498 2.521 20 0 DFADMP C[N@@H+](CCC(=O)NC1CC([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000527267851 429738237 /nfs/dbraw/zinc/73/82/37/429738237.db2.gz SZCZBQICFXSWSI-UHFFFAOYSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1nn(C)c2sc([C@H](C)[NH2+][C@@H]3CCc4[nH+]ccn4C3)cc12 ZINC000367895025 429738577 /nfs/dbraw/zinc/73/85/77/429738577.db2.gz GWYOLBNANWJROS-NWDGAFQWSA-N 2 1 315.446 2.805 20 0 DFADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076789 429739600 /nfs/dbraw/zinc/73/96/00/429739600.db2.gz GUIGFWBBWLBLAT-AAEUAGOBSA-N 2 1 318.396 2.781 20 0 DFADMP C[C@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076789 429739604 /nfs/dbraw/zinc/73/96/04/429739604.db2.gz GUIGFWBBWLBLAT-AAEUAGOBSA-N 2 1 318.396 2.781 20 0 DFADMP CCC[N@@H+](CCc1nc2ccccc2n1C)C1CC[NH2+]CC1 ZINC000431103147 429744345 /nfs/dbraw/zinc/74/43/45/429744345.db2.gz WCFNGPUZBQOCRQ-UHFFFAOYSA-N 2 1 300.450 2.580 20 0 DFADMP Cc1cn[nH]c1CN1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367955194 429751529 /nfs/dbraw/zinc/75/15/29/429751529.db2.gz AEXSSCCQDNPHSP-MSOLQXFVSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1cn[nH]c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367955194 429751534 /nfs/dbraw/zinc/75/15/34/429751534.db2.gz AEXSSCCQDNPHSP-MSOLQXFVSA-N 2 1 310.445 2.672 20 0 DFADMP C[C@@H]1C[C@H]1[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057266 429757810 /nfs/dbraw/zinc/75/78/10/429757810.db2.gz CQVBNHWJIBYGDM-QWFCFKBJSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@@H]1C[C@H]1[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057266 429757814 /nfs/dbraw/zinc/75/78/14/429757814.db2.gz CQVBNHWJIBYGDM-QWFCFKBJSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@@H]1C[C@H]1[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057266 429757818 /nfs/dbraw/zinc/75/78/18/429757818.db2.gz CQVBNHWJIBYGDM-QWFCFKBJSA-N 2 1 315.505 2.781 20 0 DFADMP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000368015179 429766596 /nfs/dbraw/zinc/76/65/96/429766596.db2.gz BVOBAMGTACWRKU-BLYBZDDLSA-N 2 1 322.399 2.664 20 0 DFADMP Fc1cc(F)cc(C2CC([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)c1 ZINC000368015179 429766598 /nfs/dbraw/zinc/76/65/98/429766598.db2.gz BVOBAMGTACWRKU-BLYBZDDLSA-N 2 1 322.399 2.664 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc(C)c1O ZINC000368018202 429768871 /nfs/dbraw/zinc/76/88/71/429768871.db2.gz IZPSMOCEQCFEID-KZNAEPCWSA-N 2 1 318.461 2.693 20 0 DFADMP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1ccncc1Cl ZINC000527647463 429772282 /nfs/dbraw/zinc/77/22/82/429772282.db2.gz HUADNZLLCABWCF-UHFFFAOYSA-N 2 1 319.836 2.965 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368074714 429780595 /nfs/dbraw/zinc/78/05/95/429780595.db2.gz VZEQXQRIVBOHNL-IBGZPJMESA-N 2 1 313.445 2.955 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](O)(c2ccccc2)CC1 ZINC000368074714 429780598 /nfs/dbraw/zinc/78/05/98/429780598.db2.gz VZEQXQRIVBOHNL-IBGZPJMESA-N 2 1 313.445 2.955 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000368073453 429781821 /nfs/dbraw/zinc/78/18/21/429781821.db2.gz ZXYFXZTVBHMUPS-IAGOWNOFSA-N 2 1 318.852 2.880 20 0 DFADMP FC(F)COCC[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368091226 429784104 /nfs/dbraw/zinc/78/41/04/429784104.db2.gz VXVBZSZPXJVFLO-SJORKVTESA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000368091226 429784109 /nfs/dbraw/zinc/78/41/09/429784109.db2.gz VXVBZSZPXJVFLO-SJORKVTESA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368091226 429784114 /nfs/dbraw/zinc/78/41/14/429784114.db2.gz VXVBZSZPXJVFLO-SJORKVTESA-N 2 1 324.415 2.722 20 0 DFADMP FC(F)COCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000368091226 429784116 /nfs/dbraw/zinc/78/41/16/429784116.db2.gz VXVBZSZPXJVFLO-SJORKVTESA-N 2 1 324.415 2.722 20 0 DFADMP FC1(F)Oc2cccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2O1 ZINC000527754327 429791603 /nfs/dbraw/zinc/79/16/03/429791603.db2.gz JRKVOLGVQIWTDO-KBPBESRZSA-N 2 1 324.371 2.767 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)Cn2c[nH+]cc2C)c1 ZINC000527885922 429815294 /nfs/dbraw/zinc/81/52/94/429815294.db2.gz NIHOERPMXVNDBH-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CC12CC2 ZINC000527886539 429815437 /nfs/dbraw/zinc/81/54/37/429815437.db2.gz KYJLESPCABVMNC-WBAXXEDZSA-N 2 1 300.446 2.531 20 0 DFADMP COc1ccc(C)cc1C[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000432365317 429817558 /nfs/dbraw/zinc/81/75/58/429817558.db2.gz SELSRTKSJGBRTD-MRXNPFEDSA-N 2 1 306.450 2.594 20 0 DFADMP COc1ccc(C)cc1C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000432365317 429817560 /nfs/dbraw/zinc/81/75/60/429817560.db2.gz SELSRTKSJGBRTD-MRXNPFEDSA-N 2 1 306.450 2.594 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C=Cc1c[nH]cn1 ZINC000493729757 429818345 /nfs/dbraw/zinc/81/83/45/429818345.db2.gz UXAFBGXTFIJFOO-QWGSZXSUSA-N 2 1 324.428 2.546 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432419093 429821220 /nfs/dbraw/zinc/82/12/20/429821220.db2.gz YVWWLFFWKZGRTA-DZGCQCFKSA-N 2 1 323.506 2.919 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CCC2 ZINC000432419093 429821221 /nfs/dbraw/zinc/82/12/21/429821221.db2.gz YVWWLFFWKZGRTA-DZGCQCFKSA-N 2 1 323.506 2.919 20 0 DFADMP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000432413386 429821783 /nfs/dbraw/zinc/82/17/83/429821783.db2.gz LYTLKVSSSTVVQD-FUHWJXTLSA-N 2 1 305.466 2.869 20 0 DFADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1cccnc1 ZINC000432413386 429821786 /nfs/dbraw/zinc/82/17/86/429821786.db2.gz LYTLKVSSSTVVQD-FUHWJXTLSA-N 2 1 305.466 2.869 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(C)COc2ccccc2O1 ZINC000527930048 429822513 /nfs/dbraw/zinc/82/25/13/429822513.db2.gz HDKZRAHYTNKBRZ-ZXFNITATSA-N 2 1 304.434 2.535 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@H]2CCC[C@H]21 ZINC000527935541 429823332 /nfs/dbraw/zinc/82/33/32/429823332.db2.gz ZWIMAWLIZAPSOV-YYAJDYIMSA-N 2 1 316.445 2.679 20 0 DFADMP Cc1c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1C(C)C ZINC000432431236 429823469 /nfs/dbraw/zinc/82/34/69/429823469.db2.gz VTMXWFWEQAKQMR-CVEARBPZSA-N 2 1 322.497 2.924 20 0 DFADMP Cc1c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1C(C)C ZINC000432431236 429823472 /nfs/dbraw/zinc/82/34/72/429823472.db2.gz VTMXWFWEQAKQMR-CVEARBPZSA-N 2 1 322.497 2.924 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)CC[N@H+]1C ZINC000527943698 429824764 /nfs/dbraw/zinc/82/47/64/429824764.db2.gz BHWPUQUYEHZGEC-YPMHNXCESA-N 2 1 312.360 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)CC[N@H+]1C ZINC000527943694 429825242 /nfs/dbraw/zinc/82/52/42/429825242.db2.gz BHWPUQUYEHZGEC-DGCLKSJQSA-N 2 1 312.360 2.623 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000493991739 429852161 /nfs/dbraw/zinc/85/21/61/429852161.db2.gz IZBLLQXZLVNIBV-KKUMJFAQSA-N 2 1 303.450 2.983 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CC2CCCCC2)CC1)C(=O)N1CCCC1 ZINC000368529393 429862300 /nfs/dbraw/zinc/86/23/00/429862300.db2.gz AXVFSDMZVOZSKO-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)c1 ZINC000368539233 429863975 /nfs/dbraw/zinc/86/39/75/429863975.db2.gz SBGZGTQGKVTFIZ-QXAKKESOSA-N 2 1 302.462 2.769 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000368539233 429863977 /nfs/dbraw/zinc/86/39/77/429863977.db2.gz SBGZGTQGKVTFIZ-QXAKKESOSA-N 2 1 302.462 2.769 20 0 DFADMP CCCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649076 429866139 /nfs/dbraw/zinc/86/61/39/429866139.db2.gz HOWYQHLGZVNBDQ-KZNAEPCWSA-N 2 1 312.498 2.501 20 0 DFADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649076 429866141 /nfs/dbraw/zinc/86/61/41/429866141.db2.gz HOWYQHLGZVNBDQ-KZNAEPCWSA-N 2 1 312.498 2.501 20 0 DFADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649076 429866142 /nfs/dbraw/zinc/86/61/42/429866142.db2.gz HOWYQHLGZVNBDQ-KZNAEPCWSA-N 2 1 312.498 2.501 20 0 DFADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649076 429866145 /nfs/dbraw/zinc/86/61/45/429866145.db2.gz HOWYQHLGZVNBDQ-KZNAEPCWSA-N 2 1 312.498 2.501 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CC12CC2 ZINC000527846613 429808608 /nfs/dbraw/zinc/80/86/08/429808608.db2.gz MGXFKBLYLCXEBP-YJBOKZPZSA-N 2 1 300.446 2.797 20 0 DFADMP C[C@@H]1C[N@@H+](CCCn2ccnc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000494502867 429877628 /nfs/dbraw/zinc/87/76/28/429877628.db2.gz HFTSOYXSXJAZIW-LSDHHAIUSA-N 2 1 322.453 2.603 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000528390350 429884637 /nfs/dbraw/zinc/88/46/37/429884637.db2.gz WXJBDKCYZAMHBH-PKOBYXMFSA-N 2 1 320.452 2.801 20 0 DFADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](Cc1ccc(F)cc1)OC ZINC000528398538 429885402 /nfs/dbraw/zinc/88/54/02/429885402.db2.gz FLYWKFNRUYMDLP-CEXWTWQISA-N 2 1 320.452 2.942 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@@H](Cc1ccc(F)cc1)OC ZINC000528398538 429885404 /nfs/dbraw/zinc/88/54/04/429885404.db2.gz FLYWKFNRUYMDLP-CEXWTWQISA-N 2 1 320.452 2.942 20 0 DFADMP OCc1ccc(F)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000528421785 429886577 /nfs/dbraw/zinc/88/65/77/429886577.db2.gz BFPJLUUVKZVLAJ-KXBFYZLASA-N 2 1 318.436 2.767 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cccnc3)C2)nc(C)[nH+]1 ZINC000368678591 429886857 /nfs/dbraw/zinc/88/68/57/429886857.db2.gz VDZKVMIACAJCNW-YOEHRIQHSA-N 2 1 311.433 2.808 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)cc1)C(C)C ZINC000368718246 429890152 /nfs/dbraw/zinc/89/01/52/429890152.db2.gz GEFWZACGRLRBOA-GOSISDBHSA-N 2 1 317.477 2.789 20 0 DFADMP CO[C@@H](CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000528511718 429895590 /nfs/dbraw/zinc/89/55/90/429895590.db2.gz HCZNKUYZSHENIG-ROUUACIJSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000528511718 429895591 /nfs/dbraw/zinc/89/55/91/429895591.db2.gz HCZNKUYZSHENIG-ROUUACIJSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000528511718 429895594 /nfs/dbraw/zinc/89/55/94/429895594.db2.gz HCZNKUYZSHENIG-ROUUACIJSA-N 2 1 306.425 2.931 20 0 DFADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000369073178 429910898 /nfs/dbraw/zinc/91/08/98/429910898.db2.gz BLVOVMXVZCPALU-DOMZBBRYSA-N 2 1 301.365 2.623 20 0 DFADMP c1nc2ccccn2c1C[N@@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738396 429911856 /nfs/dbraw/zinc/91/18/56/429911856.db2.gz FMZFQENWLIGQHB-UHFFFAOYSA-N 2 1 305.385 2.560 20 0 DFADMP c1nc2ccccn2c1C[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528738396 429911859 /nfs/dbraw/zinc/91/18/59/429911859.db2.gz FMZFQENWLIGQHB-UHFFFAOYSA-N 2 1 305.385 2.560 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746554 429912117 /nfs/dbraw/zinc/91/21/17/429912117.db2.gz WKDPZGDXSQDVGJ-IRXDYDNUSA-N 2 1 308.441 2.706 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746554 429912118 /nfs/dbraw/zinc/91/21/18/429912118.db2.gz WKDPZGDXSQDVGJ-IRXDYDNUSA-N 2 1 308.441 2.706 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746554 429912120 /nfs/dbraw/zinc/91/21/20/429912120.db2.gz WKDPZGDXSQDVGJ-IRXDYDNUSA-N 2 1 308.441 2.706 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000369328464 429924332 /nfs/dbraw/zinc/92/43/32/429924332.db2.gz BDZYTGYKENZEAW-MSOLQXFVSA-N 2 1 304.503 2.894 20 0 DFADMP c1cn2c(n1)C[C@@H](C[NH2+]C1CC[NH+](Cc3ccccc3)CC1)CC2 ZINC000369346637 429926399 /nfs/dbraw/zinc/92/63/99/429926399.db2.gz CSWVTEIHRLOIEX-SFHVURJKSA-N 2 1 324.472 2.700 20 0 DFADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000494467954 429875750 /nfs/dbraw/zinc/87/57/50/429875750.db2.gz GYHQOSIUILRGTA-QLFBSQMISA-N 2 1 313.486 2.610 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@@H]3CCSC3)CC2)nc(C)[nH+]1 ZINC000369485113 429954926 /nfs/dbraw/zinc/95/49/26/429954926.db2.gz PKNXGPNKQGJNPZ-HNNXBMFYSA-N 2 1 320.506 2.747 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[C@@H]3CCSC3)CC2)nc(C)[nH+]1 ZINC000369485113 429954932 /nfs/dbraw/zinc/95/49/32/429954932.db2.gz PKNXGPNKQGJNPZ-HNNXBMFYSA-N 2 1 320.506 2.747 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)CC23CC3)cc1 ZINC000573563579 429961309 /nfs/dbraw/zinc/96/13/09/429961309.db2.gz FBVRVPDKQDJTCB-ROUUACIJSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@H]3CCCOC3)CC23CC3)cc1 ZINC000573563579 429961315 /nfs/dbraw/zinc/96/13/15/429961315.db2.gz FBVRVPDKQDJTCB-ROUUACIJSA-N 2 1 300.446 2.952 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000639757067 429970072 /nfs/dbraw/zinc/97/00/72/429970072.db2.gz CYFWRONNAFBBIL-UHFFFAOYSA-N 2 1 315.461 2.660 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754695 429970387 /nfs/dbraw/zinc/97/03/87/429970387.db2.gz DMOVFRBBDKWXAM-WMZOPIPTSA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnn(Cc4ccccc4)c3)C2)CC1 ZINC000639757418 429970486 /nfs/dbraw/zinc/97/04/86/429970486.db2.gz LQQLXLULPGDUDV-UHFFFAOYSA-N 2 1 324.472 2.849 20 0 DFADMP C[C@@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759630 429971975 /nfs/dbraw/zinc/97/19/75/429971975.db2.gz FEUZHODWZCNKGT-INIZCTEOSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759896 429973046 /nfs/dbraw/zinc/97/30/46/429973046.db2.gz NARQXRGLQXXMNO-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639762071 429973643 /nfs/dbraw/zinc/97/36/43/429973643.db2.gz JYZSWTGHAAXIJC-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573793196 429983629 /nfs/dbraw/zinc/98/36/29/429983629.db2.gz XIFLVUVYAZZEPV-MNOVXSKESA-N 2 1 322.762 2.635 20 0 DFADMP Brc1ccccc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000369365944 429932307 /nfs/dbraw/zinc/93/23/07/429932307.db2.gz IDETZTNKKNPUOO-LBPRGKRZSA-N 2 1 320.234 2.998 20 0 DFADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)no1 ZINC000557336070 429937611 /nfs/dbraw/zinc/93/76/11/429937611.db2.gz PEWRVQHPEOVHRW-HOTGVXAUSA-N 2 1 314.433 2.600 20 0 DFADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)no1 ZINC000557336070 429937615 /nfs/dbraw/zinc/93/76/15/429937615.db2.gz PEWRVQHPEOVHRW-HOTGVXAUSA-N 2 1 314.433 2.600 20 0 DFADMP O[C@]1(C[NH2+]C2(C3CCC3)CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639671045 429940745 /nfs/dbraw/zinc/94/07/45/429940745.db2.gz KNKNVTBKCHENDR-IBGZPJMESA-N 2 1 314.473 2.936 20 0 DFADMP O[C@]1(C[NH2+]C2(C3CCC3)CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639671045 429940751 /nfs/dbraw/zinc/94/07/51/429940751.db2.gz KNKNVTBKCHENDR-IBGZPJMESA-N 2 1 314.473 2.936 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC[N@H+]1C ZINC000369461949 429948604 /nfs/dbraw/zinc/94/86/04/429948604.db2.gz GZGDUMKWJOVZGD-KURKYZTESA-N 2 1 301.478 2.975 20 0 DFADMP CCOc1cc(CNC[C@@H]2CC[N@@H+]2C2CCCC2)ccc1O ZINC000529669702 430049090 /nfs/dbraw/zinc/04/90/90/430049090.db2.gz NYXGBPAXLSOSOK-INIZCTEOSA-N 2 1 304.434 2.897 20 0 DFADMP CCOc1cc(CNC[C@@H]2CC[N@H+]2C2CCCC2)ccc1O ZINC000529669702 430049094 /nfs/dbraw/zinc/04/90/94/430049094.db2.gz NYXGBPAXLSOSOK-INIZCTEOSA-N 2 1 304.434 2.897 20 0 DFADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000574415138 430040781 /nfs/dbraw/zinc/04/07/81/430040781.db2.gz SYQLFIOYRAXBRH-QRVBRYPASA-N 2 1 319.493 2.556 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCOC2CCOCC2)CC1 ZINC000639986986 430046189 /nfs/dbraw/zinc/04/61/89/430046189.db2.gz CXXUCMYIBPZPDK-UHFFFAOYSA-N 2 1 310.482 2.522 20 0 DFADMP CC1(C)CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000573935422 429995308 /nfs/dbraw/zinc/99/53/08/429995308.db2.gz FNIUHEKYKTULRO-JKSUJKDBSA-N 2 1 309.498 2.522 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000559917489 430016436 /nfs/dbraw/zinc/01/64/36/430016436.db2.gz PUKYXZBMLWDNFG-OWCLPIDISA-N 2 1 321.465 2.630 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919300 430022599 /nfs/dbraw/zinc/02/25/99/430022599.db2.gz QFYGAPPCXPLMGL-LSDHHAIUSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919300 430022603 /nfs/dbraw/zinc/02/26/03/430022603.db2.gz QFYGAPPCXPLMGL-LSDHHAIUSA-N 2 1 316.367 2.813 20 0 DFADMP Cc1scc(CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1C ZINC000634725026 430091043 /nfs/dbraw/zinc/09/10/43/430091043.db2.gz DRXWMQRQQXDIGC-SFHVURJKSA-N 2 1 318.486 2.947 20 0 DFADMP Cc1scc(CNC[C@H](O)C[N@H+](C)Cc2ccccc2)c1C ZINC000634725026 430091047 /nfs/dbraw/zinc/09/10/47/430091047.db2.gz DRXWMQRQQXDIGC-SFHVURJKSA-N 2 1 318.486 2.947 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1cccc2[nH]ccc21 ZINC000634730613 430091570 /nfs/dbraw/zinc/09/15/70/430091570.db2.gz MEXKMGFNVMBHSQ-GOSISDBHSA-N 2 1 323.440 2.750 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)CNCc1cccc2[nH]ccc21 ZINC000634730613 430091574 /nfs/dbraw/zinc/09/15/74/430091574.db2.gz MEXKMGFNVMBHSQ-GOSISDBHSA-N 2 1 323.440 2.750 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000634730613 430091579 /nfs/dbraw/zinc/09/15/79/430091579.db2.gz MEXKMGFNVMBHSQ-GOSISDBHSA-N 2 1 323.440 2.750 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000634730613 430091582 /nfs/dbraw/zinc/09/15/82/430091582.db2.gz MEXKMGFNVMBHSQ-GOSISDBHSA-N 2 1 323.440 2.750 20 0 DFADMP CCn1nc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c2ccccc21 ZINC000634733374 430093303 /nfs/dbraw/zinc/09/33/03/430093303.db2.gz DNXRSUMQDWWHCS-AWEZNQCLSA-N 2 1 300.450 2.924 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(OC)c1OC ZINC000634732625 430093848 /nfs/dbraw/zinc/09/38/48/430093848.db2.gz KOINVODMGFEMRB-CQSZACIVSA-N 2 1 322.449 2.580 20 0 DFADMP CCn1nc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c2ccccc21 ZINC000634733375 430094325 /nfs/dbraw/zinc/09/43/25/430094325.db2.gz DNXRSUMQDWWHCS-CQSZACIVSA-N 2 1 300.450 2.924 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccoc1 ZINC000561785860 430099774 /nfs/dbraw/zinc/09/97/74/430099774.db2.gz RDQPONUIAGWNDE-CQSZACIVSA-N 2 1 303.406 2.856 20 0 DFADMP CC(C)[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000530245156 430107980 /nfs/dbraw/zinc/10/79/80/430107980.db2.gz UZLNOKQLQNXLPK-UXHICEINSA-N 2 1 315.505 2.828 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000640017355 430056330 /nfs/dbraw/zinc/05/63/30/430056330.db2.gz FCDNVJPXHFFNGS-UHFFFAOYSA-N 2 1 320.477 2.888 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000640018206 430057129 /nfs/dbraw/zinc/05/71/29/430057129.db2.gz WMTOQTYWMFYTLN-SFHVURJKSA-N 2 1 304.478 2.786 20 0 DFADMP C[C@@H]1CC[C@H](C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000634688429 430079993 /nfs/dbraw/zinc/07/99/93/430079993.db2.gz RYLORAVQKULYMX-RBSFLKMASA-N 2 1 321.490 2.655 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000634688429 430079997 /nfs/dbraw/zinc/07/99/97/430079997.db2.gz RYLORAVQKULYMX-RBSFLKMASA-N 2 1 321.490 2.655 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000562657781 430161561 /nfs/dbraw/zinc/16/15/61/430161561.db2.gz GZDCSTXFOKTTQP-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000562657781 430161565 /nfs/dbraw/zinc/16/15/65/430161565.db2.gz GZDCSTXFOKTTQP-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000562657781 430161568 /nfs/dbraw/zinc/16/15/68/430161568.db2.gz GZDCSTXFOKTTQP-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCC2CCCCC2)C[C@H]1C ZINC000580983119 430167039 /nfs/dbraw/zinc/16/70/39/430167039.db2.gz UNJUANFRISNYLI-AEFFLSMTSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1ccccc1[C@H]([C@H](C)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)N(C)C ZINC000580550878 430133834 /nfs/dbraw/zinc/13/38/34/430133834.db2.gz BJDFAOXRPMBLAZ-DFEOGRTESA-N 2 1 303.494 2.964 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000581142739 430183256 /nfs/dbraw/zinc/18/32/56/430183256.db2.gz COVHMTBBGSJQPX-GOSISDBHSA-N 2 1 312.498 2.972 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000361184623 277051496 /nfs/dbraw/zinc/05/14/96/277051496.db2.gz UMIPXGSQKJVJCG-INIZCTEOSA-N 2 1 307.507 2.743 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2)cc1 ZINC000634994130 430186704 /nfs/dbraw/zinc/18/67/04/430186704.db2.gz RNQPDPJRTVIRME-OAHLLOKOSA-N 2 1 310.445 2.892 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000247971077 277069048 /nfs/dbraw/zinc/06/90/48/277069048.db2.gz JKORVIJPGZBFLN-HYVNUMGLSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000247971077 277069049 /nfs/dbraw/zinc/06/90/49/277069049.db2.gz JKORVIJPGZBFLN-HYVNUMGLSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000247971077 277069050 /nfs/dbraw/zinc/06/90/50/277069050.db2.gz JKORVIJPGZBFLN-HYVNUMGLSA-N 2 1 308.853 2.790 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998865 430188571 /nfs/dbraw/zinc/18/85/71/430188571.db2.gz LZEDMZNDDZDQQX-WCBMZHEXSA-N 2 1 303.269 2.846 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)s1 ZINC000634998865 430188575 /nfs/dbraw/zinc/18/85/75/430188575.db2.gz LZEDMZNDDZDQQX-WCBMZHEXSA-N 2 1 303.269 2.846 20 0 DFADMP CCCCOc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000635000237 430188982 /nfs/dbraw/zinc/18/89/82/430188982.db2.gz JYAGHONMXHIHEG-HOCLYGCPSA-N 2 1 306.450 2.901 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999003 430189062 /nfs/dbraw/zinc/18/90/62/430189062.db2.gz OLHLFSMCYSJXIS-OCCSQVGLSA-N 2 1 318.852 2.861 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999242 430189093 /nfs/dbraw/zinc/18/90/93/430189093.db2.gz RLGFVUYDXYYXRY-KDOFPFPSSA-N 2 1 312.461 2.575 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)[C@H]1CCC[NH2+]C1 ZINC000634998021 430190004 /nfs/dbraw/zinc/19/00/04/430190004.db2.gz YSKBVJTUFNKSSH-WHOFXGATSA-N 2 1 316.367 2.717 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634998310 430190148 /nfs/dbraw/zinc/19/01/48/430190148.db2.gz DBLPUJCUPODLMY-IUODEOHRSA-N 2 1 316.424 2.655 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000634999537 430190304 /nfs/dbraw/zinc/19/03/04/430190304.db2.gz VWSJSQZXIYVQBA-ZBFHGGJFSA-N 2 1 306.450 2.757 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000634999244 430190390 /nfs/dbraw/zinc/19/03/90/430190390.db2.gz RLGFVUYDXYYXRY-RDTXWAMCSA-N 2 1 312.461 2.575 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000635000640 430191022 /nfs/dbraw/zinc/19/10/22/430191022.db2.gz SCKFXEOOYJLEQO-GOEBONIOSA-N 2 1 306.450 2.901 20 0 DFADMP OCC[NH2+]C1CC[NH+](Cc2cc(-c3ccccc3)cs2)CC1 ZINC000635001180 430191740 /nfs/dbraw/zinc/19/17/40/430191740.db2.gz JHDHYUXEIWTFLW-UHFFFAOYSA-N 2 1 316.470 2.961 20 0 DFADMP CCCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OCC ZINC000635000639 430192026 /nfs/dbraw/zinc/19/20/26/430192026.db2.gz SCKFXEOOYJLEQO-GDBMZVCRSA-N 2 1 306.450 2.901 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@H]2CCC[C@@H]21 ZINC000353587548 277169967 /nfs/dbraw/zinc/16/99/67/277169967.db2.gz ZXAZXTNHGSQZQL-PMPSAXMXSA-N 2 1 320.506 2.574 20 0 DFADMP C[C@H](N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1)C1C[NH2+]C1 ZINC000635020906 430197664 /nfs/dbraw/zinc/19/76/64/430197664.db2.gz NNATWJAHBZKDKC-LPHOPBHVSA-N 2 1 301.478 2.629 20 0 DFADMP CCn1cc(C[N@@H+](C)Cc2cc(-n3ccnc3)cs2)cn1 ZINC000542464165 430211896 /nfs/dbraw/zinc/21/18/96/430211896.db2.gz ATSCVEPURDRTND-UHFFFAOYSA-N 2 1 301.419 2.782 20 0 DFADMP CCn1cc(CN(C)Cc2cc(-n3ccnc3)cs2)cn1 ZINC000542464165 430211902 /nfs/dbraw/zinc/21/19/02/430211902.db2.gz ATSCVEPURDRTND-UHFFFAOYSA-N 2 1 301.419 2.782 20 0 DFADMP CCC[C@H](C[N@H+]1CCCN(Cc2nccn2C(C)C)CC1)OC ZINC000638047050 430219664 /nfs/dbraw/zinc/21/96/64/430219664.db2.gz XBYYTFXMQKETOS-QGZVFWFLSA-N 2 1 322.497 2.787 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000638051616 430219928 /nfs/dbraw/zinc/21/99/28/430219928.db2.gz MOTPABXCPPRAQT-XJKSGUPXSA-N 2 1 323.868 2.591 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000638063409 430223317 /nfs/dbraw/zinc/22/33/17/430223317.db2.gz DSXAESMPUBZMHD-CZUORRHYSA-N 2 1 323.868 2.591 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000638062829 430224691 /nfs/dbraw/zinc/22/46/91/430224691.db2.gz IOMCGKDXOYOMST-SFHVURJKSA-N 2 1 319.493 2.907 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000581486159 430214049 /nfs/dbraw/zinc/21/40/49/430214049.db2.gz YLERDUHIVVWRNX-MTGFJVSHSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000581486159 430214055 /nfs/dbraw/zinc/21/40/55/430214055.db2.gz YLERDUHIVVWRNX-MTGFJVSHSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000581486159 430214059 /nfs/dbraw/zinc/21/40/59/430214059.db2.gz YLERDUHIVVWRNX-MTGFJVSHSA-N 2 1 315.461 2.911 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635263846 430241854 /nfs/dbraw/zinc/24/18/54/430241854.db2.gz BWBAEPSOIGUGIW-QGZVFWFLSA-N 2 1 301.434 2.704 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000638134684 430249296 /nfs/dbraw/zinc/24/92/96/430249296.db2.gz QADOUQLFTSFCHA-MRXNPFEDSA-N 2 1 300.512 2.562 20 0 DFADMP c1ccc(-c2ncc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cn2)cc1 ZINC000566230254 430250129 /nfs/dbraw/zinc/25/01/29/430250129.db2.gz VTANGSAQAMFFHJ-MOPGFXCFSA-N 2 1 322.456 2.965 20 0 DFADMP CO[C@]1(C[NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)CCOC1 ZINC000638154790 430253833 /nfs/dbraw/zinc/25/38/33/430253833.db2.gz UWHYVIUUBGKBKP-MJGOQNOKSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000635345035 430256616 /nfs/dbraw/zinc/25/66/16/430256616.db2.gz JXIYHXJQAOHZIX-LSDHHAIUSA-N 2 1 303.450 2.950 20 0 DFADMP C[C@H](c1ccc([S@@](C)=O)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000566414675 430257398 /nfs/dbraw/zinc/25/73/98/430257398.db2.gz SJWFODYNTVZTHU-JLCFBVMHSA-N 2 1 319.474 2.783 20 0 DFADMP C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566414675 430257400 /nfs/dbraw/zinc/25/74/00/430257400.db2.gz SJWFODYNTVZTHU-JLCFBVMHSA-N 2 1 319.474 2.783 20 0 DFADMP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000635404885 430269303 /nfs/dbraw/zinc/26/93/03/430269303.db2.gz JZYINQZVQYJOLG-LZLYRXPVSA-N 2 1 317.477 2.621 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)Cc3ccsc3)C2)CC1 ZINC000544023980 430269725 /nfs/dbraw/zinc/26/97/25/430269725.db2.gz QBVLYEGWSGDOIN-SJLPKXTDSA-N 2 1 321.534 2.779 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccccc1Cl)C1CC1 ZINC000582176469 430273861 /nfs/dbraw/zinc/27/38/61/430273861.db2.gz VIMYPNIRPBJLDO-AWEZNQCLSA-N 2 1 310.869 2.662 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC(C)(C)c1ccccc1Cl)C1CC1 ZINC000582176469 430273866 /nfs/dbraw/zinc/27/38/66/430273866.db2.gz VIMYPNIRPBJLDO-AWEZNQCLSA-N 2 1 310.869 2.662 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000638071393 430226668 /nfs/dbraw/zinc/22/66/68/430226668.db2.gz IVJHJIDDEVLMPW-AWEZNQCLSA-N 2 1 314.433 2.991 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@@H](C[NH+](C)C)C1)CC2 ZINC000638076052 430228183 /nfs/dbraw/zinc/22/81/83/430228183.db2.gz IJMZGHFDCCJQML-XJKSGUPXSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@@H](C[NH+](C)C)C1)CC2 ZINC000638076052 430228187 /nfs/dbraw/zinc/22/81/87/430228187.db2.gz IJMZGHFDCCJQML-XJKSGUPXSA-N 2 1 304.434 2.575 20 0 DFADMP Cc1nc2c(c(N3CCC[N@H+](C(C)(C)C)CC3)n1)CCCC2 ZINC000542949024 430232497 /nfs/dbraw/zinc/23/24/97/430232497.db2.gz KGIQZABEHIJCSU-UHFFFAOYSA-N 2 1 302.466 2.974 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccnn1CC1CCC1 ZINC000638118873 430240664 /nfs/dbraw/zinc/24/06/64/430240664.db2.gz YZLOEQMSHGJGIL-QGZVFWFLSA-N 2 1 304.482 2.989 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000641169112 430350014 /nfs/dbraw/zinc/35/00/14/430350014.db2.gz KCGORHLDXLUZJG-WMZOPIPTSA-N 2 1 313.449 2.589 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635493978 430291388 /nfs/dbraw/zinc/29/13/88/430291388.db2.gz GAAFZKDAEOQPIM-HZPDHXFCSA-N 2 1 317.477 2.574 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582367785 430293936 /nfs/dbraw/zinc/29/39/36/430293936.db2.gz DOVZKLOUJBMDNC-MAUKXSAKSA-N 2 1 308.441 2.708 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1 ZINC000582367785 430293942 /nfs/dbraw/zinc/29/39/42/430293942.db2.gz DOVZKLOUJBMDNC-MAUKXSAKSA-N 2 1 308.441 2.708 20 0 DFADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635546519 430305204 /nfs/dbraw/zinc/30/52/04/430305204.db2.gz APAAYMWYKFAOCI-GOSISDBHSA-N 2 1 321.509 2.776 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000641036906 430309051 /nfs/dbraw/zinc/30/90/51/430309051.db2.gz NQPXKYHHGGROFP-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000545310116 430314436 /nfs/dbraw/zinc/31/44/36/430314436.db2.gz OREZHOILTBMEPP-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000638365083 430318800 /nfs/dbraw/zinc/31/88/00/430318800.db2.gz APRWZTBGFJVUPK-IXDOHACOSA-N 2 1 309.498 2.678 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638378952 430323543 /nfs/dbraw/zinc/32/35/43/430323543.db2.gz UJFWXXRYEBYMJU-CRAIPNDOSA-N 2 1 319.493 2.537 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000568177758 430324763 /nfs/dbraw/zinc/32/47/63/430324763.db2.gz NZNHRAISFGFYEQ-KDOFPFPSSA-N 2 1 314.433 2.701 20 0 DFADMP CC[C@@H](C)CN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568188947 430329401 /nfs/dbraw/zinc/32/94/01/430329401.db2.gz XIBFXFRTORPGPP-MRXNPFEDSA-N 2 1 323.525 2.687 20 0 DFADMP CCCc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000545867502 430330601 /nfs/dbraw/zinc/33/06/01/430330601.db2.gz WHAUXYFTSKYCCA-RBUKOAKNSA-N 2 1 304.478 2.992 20 0 DFADMP CCCc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000545867502 430330605 /nfs/dbraw/zinc/33/06/05/430330605.db2.gz WHAUXYFTSKYCCA-RBUKOAKNSA-N 2 1 304.478 2.992 20 0 DFADMP C[NH+](C)C1CC(N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000568240093 430337862 /nfs/dbraw/zinc/33/78/62/430337862.db2.gz XNFRCBGUBZGWBW-LMDPOFIKSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000638419847 430338047 /nfs/dbraw/zinc/33/80/47/430338047.db2.gz JXHQGMHHBOIHFG-VKJFTORMSA-N 2 1 320.502 2.891 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000638419847 430338051 /nfs/dbraw/zinc/33/80/51/430338051.db2.gz JXHQGMHHBOIHFG-VKJFTORMSA-N 2 1 320.502 2.891 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1 ZINC000582963467 430351452 /nfs/dbraw/zinc/35/14/52/430351452.db2.gz RWHLWDUSBKPYEN-UHFFFAOYSA-N 2 1 317.477 2.648 20 0 DFADMP [NH3+]C1CC[NH+](CCc2cn(CCC3CCCCCC3)nn2)CC1 ZINC000641143471 430342348 /nfs/dbraw/zinc/34/23/48/430342348.db2.gz RXVGPBLPMGLFCI-UHFFFAOYSA-N 2 1 319.497 2.604 20 0 DFADMP c1ccc([C@@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000568401245 430354884 /nfs/dbraw/zinc/35/48/84/430354884.db2.gz IFTPMIQLJQBQDF-FQEVSTJZSA-N 2 1 308.425 2.906 20 0 DFADMP c1ccc([C@@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000568401245 430354889 /nfs/dbraw/zinc/35/48/89/430354889.db2.gz IFTPMIQLJQBQDF-FQEVSTJZSA-N 2 1 308.425 2.906 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1ccccc1)C(C)(C)CO ZINC000568407689 430356736 /nfs/dbraw/zinc/35/67/36/430356736.db2.gz MFEZIMUFELVFBL-KRWDZBQOSA-N 2 1 301.434 2.702 20 0 DFADMP C[N@@H+](CCC(=O)NCC[NH+]1CCCC(C)(C)C1)C1CCCCC1 ZINC000547735719 430416997 /nfs/dbraw/zinc/41/69/97/430416997.db2.gz KFVAUSUZZLXKFF-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP C[NH+](CCC(=O)NCC[N@@H+]1CCCC(C)(C)C1)C1CCCCC1 ZINC000547735719 430417001 /nfs/dbraw/zinc/41/70/01/430417001.db2.gz KFVAUSUZZLXKFF-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP C[NH+](CCC(=O)NCC[N@H+]1CCCC(C)(C)C1)C1CCCCC1 ZINC000547735719 430417003 /nfs/dbraw/zinc/41/70/03/430417003.db2.gz KFVAUSUZZLXKFF-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000638494904 430358754 /nfs/dbraw/zinc/35/87/54/430358754.db2.gz CLJKJCALVIPGFQ-LLVKDONJSA-N 2 1 311.216 2.877 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521656 430366486 /nfs/dbraw/zinc/36/64/86/430366486.db2.gz NPEYHMQIANXLJW-PKOBYXMFSA-N 2 1 302.462 2.566 20 0 DFADMP Cn1cc(CCC[NH2+]C[C@H]2CCC[N@H+]2CC2CCCCC2)cn1 ZINC000638522590 430367079 /nfs/dbraw/zinc/36/70/79/430367079.db2.gz TZMKLYPGSGWTKU-LJQANCHMSA-N 2 1 318.509 2.987 20 0 DFADMP CC[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000568541887 430369569 /nfs/dbraw/zinc/36/95/69/430369569.db2.gz SHADMNWVZJCUKI-RHSMWYFYSA-N 2 1 304.434 2.856 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@H]3CC3(F)F)C2)nc(C)[nH+]1 ZINC000638532979 430370018 /nfs/dbraw/zinc/37/00/18/430370018.db2.gz PPYYTLYUMSFQHS-KWCYVHTRSA-N 2 1 310.392 2.696 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](OC)C2CCOCC2)c1 ZINC000638563177 430376981 /nfs/dbraw/zinc/37/69/81/430376981.db2.gz IXNPHUTYFGWONM-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000547430773 430392088 /nfs/dbraw/zinc/39/20/88/430392088.db2.gz KKRXITUCMZAYOH-UHFFFAOYSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1cccnc1[C@@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)C(C)C ZINC000638633014 430393360 /nfs/dbraw/zinc/39/33/60/430393360.db2.gz UQKZRSODXMAXLA-KRWDZBQOSA-N 2 1 319.493 2.912 20 0 DFADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000635851138 430393541 /nfs/dbraw/zinc/39/35/41/430393541.db2.gz RDTZYOUKQVMHLQ-NJAFHUGGSA-N 2 1 317.477 2.587 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000547469656 430396748 /nfs/dbraw/zinc/39/67/48/430396748.db2.gz WRIJJBKREYDVNC-HNNXBMFYSA-N 2 1 311.514 2.732 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000638644029 430399204 /nfs/dbraw/zinc/39/92/04/430399204.db2.gz NXQIGDKUVXFBTH-CRAIPNDOSA-N 2 1 317.477 2.789 20 0 DFADMP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000568856589 430399637 /nfs/dbraw/zinc/39/96/37/430399637.db2.gz ZCXMSDVBQMRJDJ-HRCADAONSA-N 2 1 321.852 2.789 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638686137 430407523 /nfs/dbraw/zinc/40/75/23/430407523.db2.gz IBJDCMYAUVEUMJ-LJDSDSDDSA-N 2 1 314.473 2.505 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638686137 430407526 /nfs/dbraw/zinc/40/75/26/430407526.db2.gz IBJDCMYAUVEUMJ-LJDSDSDDSA-N 2 1 314.473 2.505 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000569249187 430436634 /nfs/dbraw/zinc/43/66/34/430436634.db2.gz WZSOJBSTCOCHFK-ROUUACIJSA-N 2 1 317.477 2.799 20 0 DFADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000548061032 430443332 /nfs/dbraw/zinc/44/33/32/430443332.db2.gz PFVSOGDKBFHUOX-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000548061032 430443336 /nfs/dbraw/zinc/44/33/36/430443336.db2.gz PFVSOGDKBFHUOX-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000548061032 430443338 /nfs/dbraw/zinc/44/33/38/430443338.db2.gz PFVSOGDKBFHUOX-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641702935 430446224 /nfs/dbraw/zinc/44/62/24/430446224.db2.gz DNDAJKHPMWBMAG-ZDUSSCGKSA-N 2 1 302.422 2.623 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641702935 430446226 /nfs/dbraw/zinc/44/62/26/430446226.db2.gz DNDAJKHPMWBMAG-ZDUSSCGKSA-N 2 1 302.422 2.623 20 0 DFADMP C[C@@H]([N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000548113908 430447632 /nfs/dbraw/zinc/44/76/32/430447632.db2.gz OJPJQCYENZDPIN-NVXWUHKLSA-N 2 1 319.493 2.772 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000569360886 430448449 /nfs/dbraw/zinc/44/84/49/430448449.db2.gz YROWNSLJVVMWJN-ZWKOTPCHSA-N 2 1 317.477 2.628 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C(F)F)cc2)CC1(C)C ZINC000569422451 430452187 /nfs/dbraw/zinc/45/21/87/430452187.db2.gz AVLNRBXRZWHQMV-UHFFFAOYSA-N 2 1 311.420 2.740 20 0 DFADMP CC[C@@H](CSc1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000569476259 430457758 /nfs/dbraw/zinc/45/77/58/430457758.db2.gz UBCJXIGNCODEMX-HOCLYGCPSA-N 2 1 308.491 2.602 20 0 DFADMP CC[C@@H](CSc1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000569476259 430457761 /nfs/dbraw/zinc/45/77/61/430457761.db2.gz UBCJXIGNCODEMX-HOCLYGCPSA-N 2 1 308.491 2.602 20 0 DFADMP Cc1cc(N2CCC([NH2+]CC3CCSCC3)CC2)nc(C)[nH+]1 ZINC000638873817 430464296 /nfs/dbraw/zinc/46/42/96/430464296.db2.gz LYWHAEUYGFGUEB-UHFFFAOYSA-N 2 1 320.506 2.795 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CC3(F)F)CC2)nc(C)[nH+]1 ZINC000638874456 430464517 /nfs/dbraw/zinc/46/45/17/430464517.db2.gz TYGUSKBKISNHSK-SMDDNHRTSA-N 2 1 310.392 2.696 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000548389173 430469144 /nfs/dbraw/zinc/46/91/44/430469144.db2.gz BYNNPKWZUSCJAS-FUHWJXTLSA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC000548389173 430469147 /nfs/dbraw/zinc/46/91/47/430469147.db2.gz BYNNPKWZUSCJAS-FUHWJXTLSA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC000548389173 430469152 /nfs/dbraw/zinc/46/91/52/430469152.db2.gz BYNNPKWZUSCJAS-FUHWJXTLSA-N 2 1 323.525 2.972 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@@H]21)C1CCCCC1 ZINC000548393079 430469238 /nfs/dbraw/zinc/46/92/38/430469238.db2.gz KNXUMFBEIWQEPX-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000641771932 430469269 /nfs/dbraw/zinc/46/92/69/430469269.db2.gz MXCUVWPFRPAJPN-OAHLLOKOSA-N 2 1 319.424 2.556 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C[C@@H]1C ZINC000548389175 430469934 /nfs/dbraw/zinc/46/99/34/430469934.db2.gz BYNNPKWZUSCJAS-WMZOPIPTSA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC000548389175 430469939 /nfs/dbraw/zinc/46/99/39/430469939.db2.gz BYNNPKWZUSCJAS-WMZOPIPTSA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C[C@@H]1C ZINC000548389175 430469943 /nfs/dbraw/zinc/46/99/43/430469943.db2.gz BYNNPKWZUSCJAS-WMZOPIPTSA-N 2 1 323.525 2.972 20 0 DFADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000548453272 430477400 /nfs/dbraw/zinc/47/74/00/430477400.db2.gz MOJYRFSQHLSHDP-GJZGRUSLSA-N 2 1 320.481 2.603 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000641804668 430478264 /nfs/dbraw/zinc/47/82/64/430478264.db2.gz ZQZGZFXQOBIKID-NWANDNLSSA-N 2 1 321.852 2.551 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641805360 430479081 /nfs/dbraw/zinc/47/90/81/430479081.db2.gz NDNYYCOLDNCWDS-UGFHNGPFSA-N 2 1 323.868 2.575 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000641804617 430479101 /nfs/dbraw/zinc/47/91/01/430479101.db2.gz IUFGADWGEFZHSS-MNOVXSKESA-N 2 1 316.232 2.647 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]CC2CCSCC2)CC1 ZINC000638730178 430420447 /nfs/dbraw/zinc/42/04/47/430420447.db2.gz URNPLUAXIBGFME-UHFFFAOYSA-N 2 1 300.512 2.609 20 0 DFADMP CC[C@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548716641 430494867 /nfs/dbraw/zinc/49/48/67/430494867.db2.gz QMOPNOZQSLINMU-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716641 430494871 /nfs/dbraw/zinc/49/48/71/430494871.db2.gz QMOPNOZQSLINMU-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@H]1C[NH+]2CCC[C@H]2CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716641 430494874 /nfs/dbraw/zinc/49/48/74/430494874.db2.gz QMOPNOZQSLINMU-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP O=C(NC[C@H]1CC[N@H+]1C1CCCCC1)[C@H]1CC[NH+]1C1CCCC1 ZINC000636253716 430497023 /nfs/dbraw/zinc/49/70/23/430497023.db2.gz ONBSACBVHRDOCY-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636253716 430497026 /nfs/dbraw/zinc/49/70/26/430497026.db2.gz ONBSACBVHRDOCY-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CC[NH+]1C1CCCCC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636253716 430497029 /nfs/dbraw/zinc/49/70/29/430497029.db2.gz ONBSACBVHRDOCY-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)cc1 ZINC000639040351 430498847 /nfs/dbraw/zinc/49/88/47/430498847.db2.gz ADIMLWYUGDIIRR-IYARVYRRSA-N 2 1 317.477 2.918 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCC[C@@H]3CCO3)C1)CCCC2 ZINC000639077409 430514960 /nfs/dbraw/zinc/51/49/60/430514960.db2.gz WKUMDZRZFBEOTI-JKSUJKDBSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCC[C@@H]3CCO3)C1)CCCC2 ZINC000639077409 430514964 /nfs/dbraw/zinc/51/49/64/430514964.db2.gz WKUMDZRZFBEOTI-JKSUJKDBSA-N 2 1 303.450 2.886 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@H]1CC[NH+](C)C1)CC2 ZINC000639082383 430517898 /nfs/dbraw/zinc/51/78/98/430517898.db2.gz ZMTLFODOOWULBK-BBRMVZONSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH+](C)C[C@H]1CC[N@H+](C)C1)CC2 ZINC000639082383 430517901 /nfs/dbraw/zinc/51/79/01/430517901.db2.gz ZMTLFODOOWULBK-BBRMVZONSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH+](C)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC000639082383 430517906 /nfs/dbraw/zinc/51/79/06/430517906.db2.gz ZMTLFODOOWULBK-BBRMVZONSA-N 2 1 304.434 2.575 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106188 430526953 /nfs/dbraw/zinc/52/69/53/430526953.db2.gz WXDHGZMETXSQEI-ZWKOTPCHSA-N 2 1 301.478 2.929 20 0 DFADMP c1[nH+]c(C2CC[NH+](CCC[C@@H]3CCO3)CC2)n2c1CCCC2 ZINC000639115649 430529082 /nfs/dbraw/zinc/52/90/82/430529082.db2.gz YAXWRQGPKAHEDR-QGZVFWFLSA-N 2 1 303.450 2.968 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000549822691 430532252 /nfs/dbraw/zinc/53/22/52/430532252.db2.gz WNGNOAIPVXJVEY-OALUTQOASA-N 2 1 305.510 2.977 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551050764 430548728 /nfs/dbraw/zinc/54/87/28/430548728.db2.gz BROPTPLQOGONEP-GBESFXJTSA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551050764 430548732 /nfs/dbraw/zinc/54/87/32/430548732.db2.gz BROPTPLQOGONEP-GBESFXJTSA-N 2 1 318.461 2.607 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639170313 430552506 /nfs/dbraw/zinc/55/25/06/430552506.db2.gz STZZEQCPIWMPEC-ROUUACIJSA-N 2 1 301.478 2.833 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1C ZINC000639177330 430554809 /nfs/dbraw/zinc/55/48/09/430554809.db2.gz RUQLJRALFJVWJM-MRXNPFEDSA-N 2 1 303.450 2.562 20 0 DFADMP Cn1ccnc1[C@H](C1CC1)[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176583 430554925 /nfs/dbraw/zinc/55/49/25/430554925.db2.gz HVCGXSNCFMCGBT-SJORKVTESA-N 2 1 302.466 2.535 20 0 DFADMP CC(C)Cc1noc(CN2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000570588746 430555923 /nfs/dbraw/zinc/55/59/23/430555923.db2.gz DVZCXZDEZRKIQT-UHFFFAOYSA-N 2 1 308.470 2.820 20 0 DFADMP Cc1ncc([C@H](C)[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177354 430556112 /nfs/dbraw/zinc/55/61/12/430556112.db2.gz SHGPUKJZZBTCEM-WMLDXEAASA-N 2 1 302.466 2.818 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000639177625 430557549 /nfs/dbraw/zinc/55/75/49/430557549.db2.gz WLHULHQRQWJIKQ-QGZVFWFLSA-N 2 1 310.445 2.794 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc4nccnc4c3)C2)CC1 ZINC000639177623 430558817 /nfs/dbraw/zinc/55/88/17/430558817.db2.gz WLHULHQRQWJIKQ-KRWDZBQOSA-N 2 1 310.445 2.794 20 0 DFADMP C[N@@H+](Cc1ccc2nccnc2c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639179192 430559461 /nfs/dbraw/zinc/55/94/61/430559461.db2.gz REXFWYTUZDXBFI-OAHLLOKOSA-N 2 1 307.401 2.521 20 0 DFADMP C[N@H+](Cc1ccc2nccnc2c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639179192 430559467 /nfs/dbraw/zinc/55/94/67/430559467.db2.gz REXFWYTUZDXBFI-OAHLLOKOSA-N 2 1 307.401 2.521 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC2(C)C)c2cccs2)CC1 ZINC000551792962 430563431 /nfs/dbraw/zinc/56/34/31/430563431.db2.gz CSSUTYOMPJFQCN-ZBFHGGJFSA-N 2 1 307.507 2.815 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccncc3)CC2)CC1 ZINC000643255260 430568187 /nfs/dbraw/zinc/56/81/87/430568187.db2.gz QLNNPVIWNDNYSK-KRWDZBQOSA-N 2 1 316.493 2.635 20 0 DFADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000643456319 430602598 /nfs/dbraw/zinc/60/25/98/430602598.db2.gz LEUXRPASEJNLPF-KYOSRNDESA-N 2 1 316.367 2.981 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000552047817 430580562 /nfs/dbraw/zinc/58/05/62/430580562.db2.gz ZTFANYIMHBFQTJ-BRSBDYLESA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000552047817 430580565 /nfs/dbraw/zinc/58/05/65/430580565.db2.gz ZTFANYIMHBFQTJ-BRSBDYLESA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000552047817 430580568 /nfs/dbraw/zinc/58/05/68/430580568.db2.gz ZTFANYIMHBFQTJ-BRSBDYLESA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000639233941 430581674 /nfs/dbraw/zinc/58/16/74/430581674.db2.gz YZRAWBIDCTYJJM-WDYCEAGBSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000552047820 430581680 /nfs/dbraw/zinc/58/16/80/430581680.db2.gz ZTFANYIMHBFQTJ-XMTFNYHQSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000552047820 430581684 /nfs/dbraw/zinc/58/16/84/430581684.db2.gz ZTFANYIMHBFQTJ-XMTFNYHQSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000552047820 430581689 /nfs/dbraw/zinc/58/16/89/430581689.db2.gz ZTFANYIMHBFQTJ-XMTFNYHQSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000570440272 430542598 /nfs/dbraw/zinc/54/25/98/430542598.db2.gz ASPMXINCMRUWDB-JYBIWHBTSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000570440272 430542604 /nfs/dbraw/zinc/54/26/04/430542604.db2.gz ASPMXINCMRUWDB-JYBIWHBTSA-N 2 1 315.505 2.875 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000571790243 430653223 /nfs/dbraw/zinc/65/32/23/430653223.db2.gz DQTVFSXOFUGYBB-DOTOQJQBSA-N 2 1 316.489 2.886 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000571790243 430653225 /nfs/dbraw/zinc/65/32/25/430653225.db2.gz DQTVFSXOFUGYBB-DOTOQJQBSA-N 2 1 316.489 2.886 20 0 DFADMP c1cc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)COCC2 ZINC000639494882 430654738 /nfs/dbraw/zinc/65/47/38/430654738.db2.gz KYMSOLPYNFVLTJ-MRXNPFEDSA-N 2 1 300.446 2.677 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H]3CC(C)(C)CO3)C2)[nH+]1 ZINC000639495977 430655668 /nfs/dbraw/zinc/65/56/68/430655668.db2.gz LGFYHEFZGIXQAL-CVEARBPZSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H]3CC(C)(C)CO3)C2)[nH+]1 ZINC000639495977 430655669 /nfs/dbraw/zinc/65/56/69/430655669.db2.gz LGFYHEFZGIXQAL-CVEARBPZSA-N 2 1 303.450 2.939 20 0 DFADMP CCCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000554958916 430656752 /nfs/dbraw/zinc/65/67/52/430656752.db2.gz ZNENDXNTUZOPTI-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639507592 430657523 /nfs/dbraw/zinc/65/75/23/430657523.db2.gz IKSMMSWDGIOOQK-KRWDZBQOSA-N 2 1 314.473 2.923 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000639507592 430657526 /nfs/dbraw/zinc/65/75/26/430657526.db2.gz IKSMMSWDGIOOQK-KRWDZBQOSA-N 2 1 314.473 2.923 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639507592 430657528 /nfs/dbraw/zinc/65/75/28/430657528.db2.gz IKSMMSWDGIOOQK-KRWDZBQOSA-N 2 1 314.473 2.923 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643454232 430603243 /nfs/dbraw/zinc/60/32/43/430603243.db2.gz OEQNMJLBAWHCNZ-UHOSZYNNSA-N 2 1 301.478 2.801 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCCC[NH2+]2)C3)cc1 ZINC000643501547 430609621 /nfs/dbraw/zinc/60/96/21/430609621.db2.gz KEPMNBFZRASDOG-WTGUMLROSA-N 2 1 313.489 2.914 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000553177849 430609898 /nfs/dbraw/zinc/60/98/98/430609898.db2.gz SODROYCBFTWMAN-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H](O)C1([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639326692 430611222 /nfs/dbraw/zinc/61/12/22/430611222.db2.gz DAEGQGDJSGETAJ-QILLFSRXSA-N 2 1 300.446 2.858 20 0 DFADMP C[C@H](O)C1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639326692 430611225 /nfs/dbraw/zinc/61/12/25/430611225.db2.gz DAEGQGDJSGETAJ-QILLFSRXSA-N 2 1 300.446 2.858 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(N)ccc2O1 ZINC000643533021 430612780 /nfs/dbraw/zinc/61/27/80/430612780.db2.gz NMBZPJNMLGFFCJ-LBEMJPCMSA-N 2 1 301.434 2.744 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CC(C)(C)Oc2ccccc2)CCO1 ZINC000639335073 430612890 /nfs/dbraw/zinc/61/28/90/430612890.db2.gz MDWFHKARKPWSQJ-SFHVURJKSA-N 2 1 320.477 2.887 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]C3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000643545950 430615485 /nfs/dbraw/zinc/61/54/85/430615485.db2.gz FYEGNDVXLXDMDK-NZSAHSFTSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[NH2+]C3(CCC3)C2)CN1Cc1ccccc1 ZINC000643545950 430615487 /nfs/dbraw/zinc/61/54/87/430615487.db2.gz FYEGNDVXLXDMDK-NZSAHSFTSA-N 2 1 313.489 2.914 20 0 DFADMP CC[C@H](Cc1cccs1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000643543866 430615814 /nfs/dbraw/zinc/61/58/14/430615814.db2.gz IVJKPSKYZSURNW-KLAILNCOSA-N 2 1 321.534 2.875 20 0 DFADMP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)c(Cl)c2)C1 ZINC000639370915 430622810 /nfs/dbraw/zinc/62/28/10/430622810.db2.gz PEJHIKPXOBNCFC-UHOFOFEASA-N 2 1 312.816 2.556 20 0 DFADMP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)c(Cl)c2)C1 ZINC000639370915 430622812 /nfs/dbraw/zinc/62/28/12/430622812.db2.gz PEJHIKPXOBNCFC-UHOFOFEASA-N 2 1 312.816 2.556 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C[C@H]2C)CC1 ZINC000554310931 430632836 /nfs/dbraw/zinc/63/28/36/430632836.db2.gz UPRIWKPFNPLSHP-HZPDHXFCSA-N 2 1 323.525 2.734 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000643894976 430640674 /nfs/dbraw/zinc/64/06/74/430640674.db2.gz OLYQWDXYODYDRG-ZIAGYGMSSA-N 2 1 310.825 2.861 20 0 DFADMP COc1ccc(COCC[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000643895274 430640822 /nfs/dbraw/zinc/64/08/22/430640822.db2.gz BTBZBQGBANWOBF-MRXNPFEDSA-N 2 1 318.461 2.676 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000571722140 430647591 /nfs/dbraw/zinc/64/75/91/430647591.db2.gz ZSSAXCDVYAXFSH-MRXNPFEDSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCO[C@@H]3C)C1)CCCC2 ZINC000639598337 430678758 /nfs/dbraw/zinc/67/87/58/430678758.db2.gz QPNZBPDWNUMVLN-VNQPRFMTSA-N 2 1 303.450 2.742 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCO[C@@H]3C)C1)CCCC2 ZINC000639598337 430678760 /nfs/dbraw/zinc/67/87/60/430678760.db2.gz QPNZBPDWNUMVLN-VNQPRFMTSA-N 2 1 303.450 2.742 20 0 DFADMP C[C@H](N[C@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572257767 430678834 /nfs/dbraw/zinc/67/88/34/430678834.db2.gz QIFDNGALBSHFFO-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000572257767 430678835 /nfs/dbraw/zinc/67/88/35/430678835.db2.gz QIFDNGALBSHFFO-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000556161872 430679902 /nfs/dbraw/zinc/67/99/02/430679902.db2.gz XTGCBXJQANNKHO-MIGBEJBISA-N 2 1 315.461 2.927 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000177936905 278027625 /nfs/dbraw/zinc/02/76/25/278027625.db2.gz YHJZYVFFDZJPND-VVFCZOMOSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000177936905 278027626 /nfs/dbraw/zinc/02/76/26/278027626.db2.gz YHJZYVFFDZJPND-VVFCZOMOSA-N 2 1 316.445 2.981 20 0 DFADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)C2 ZINC000572392062 430685515 /nfs/dbraw/zinc/68/55/15/430685515.db2.gz GXDVBQRTRJLVGV-BJLQDIEVSA-N 2 1 322.456 2.725 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000572594734 430691526 /nfs/dbraw/zinc/69/15/26/430691526.db2.gz DJROZRIGDPHIJP-IAGOWNOFSA-N 2 1 319.424 2.679 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000572594734 430691528 /nfs/dbraw/zinc/69/15/28/430691528.db2.gz DJROZRIGDPHIJP-IAGOWNOFSA-N 2 1 319.424 2.679 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000177864218 278210969 /nfs/dbraw/zinc/21/09/69/278210969.db2.gz LNBXDCRPFTYRJH-FMKPAKJESA-N 2 1 307.507 2.567 20 0 DFADMP C[C@@H](CCN[C@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361755944 278233719 /nfs/dbraw/zinc/23/37/19/278233719.db2.gz SKGLPIVQOKXOMS-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H](CCN[C@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000361755944 278233722 /nfs/dbraw/zinc/23/37/22/278233722.db2.gz SKGLPIVQOKXOMS-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H](CCN[C@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000361755944 278233724 /nfs/dbraw/zinc/23/37/24/278233724.db2.gz SKGLPIVQOKXOMS-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000186726730 278255642 /nfs/dbraw/zinc/25/56/42/278255642.db2.gz QTZIBJAFPOFDHK-HNNXBMFYSA-N 2 1 322.522 2.966 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000156670958 278273829 /nfs/dbraw/zinc/27/38/29/278273829.db2.gz LEGVVWGNKPGIKF-HLLBOEOZSA-N 2 1 315.461 2.947 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000156670958 278273831 /nfs/dbraw/zinc/27/38/31/278273831.db2.gz LEGVVWGNKPGIKF-HLLBOEOZSA-N 2 1 315.461 2.947 20 0 DFADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246545844 278374118 /nfs/dbraw/zinc/37/41/18/278374118.db2.gz KCYDMNDMBOWMHP-GOEBONIOSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545844 278374119 /nfs/dbraw/zinc/37/41/19/278374119.db2.gz KCYDMNDMBOWMHP-GOEBONIOSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246545844 278374120 /nfs/dbraw/zinc/37/41/20/278374120.db2.gz KCYDMNDMBOWMHP-GOEBONIOSA-N 2 1 308.466 2.667 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC000247054164 278395750 /nfs/dbraw/zinc/39/57/50/278395750.db2.gz FMJBQZMTUNBRIB-HUUCEWRRSA-N 2 1 308.441 2.911 20 0 DFADMP O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000657705457 430711910 /nfs/dbraw/zinc/71/19/10/430711910.db2.gz YUKZKPDRRCERQH-QZTJIDSGSA-N 2 1 300.446 2.544 20 0 DFADMP Cc1cncc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)n1 ZINC000657713080 430716402 /nfs/dbraw/zinc/71/64/02/430716402.db2.gz LLYOKCQOABSWDM-UHFFFAOYSA-N 2 1 324.472 2.624 20 0 DFADMP CC(C)[C@H](O)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657748895 430724872 /nfs/dbraw/zinc/72/48/72/430724872.db2.gz WTBRBVHYLBEPSS-OKYOBFRVSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@H](O)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000657748895 430724875 /nfs/dbraw/zinc/72/48/75/430724875.db2.gz WTBRBVHYLBEPSS-OKYOBFRVSA-N 2 1 302.462 2.961 20 0 DFADMP c1cc2c(c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)c1)CCC2 ZINC000657753152 430726512 /nfs/dbraw/zinc/72/65/12/430726512.db2.gz UPXWOHAAMVEHHT-GOSISDBHSA-N 2 1 300.446 2.518 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000664719670 430729958 /nfs/dbraw/zinc/72/99/58/430729958.db2.gz VPXZFJWNFIQQAG-MRXNPFEDSA-N 2 1 305.466 2.703 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771225 430731451 /nfs/dbraw/zinc/73/14/51/430731451.db2.gz FVVWRKLOTAFCDD-IBGZPJMESA-N 2 1 324.472 2.812 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000651192548 430732779 /nfs/dbraw/zinc/73/27/79/430732779.db2.gz RMUMCIARLNSKHY-OAHLLOKOSA-N 2 1 321.469 2.624 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000644513144 430739319 /nfs/dbraw/zinc/73/93/19/430739319.db2.gz POQQFRMUOZKKRA-NHCUHLMSSA-N 2 1 324.468 2.626 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000644513144 430739326 /nfs/dbraw/zinc/73/93/26/430739326.db2.gz POQQFRMUOZKKRA-NHCUHLMSSA-N 2 1 324.468 2.626 20 0 DFADMP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000657823837 430745382 /nfs/dbraw/zinc/74/53/82/430745382.db2.gz OTSASIZEZCIVNA-FUHWJXTLSA-N 2 1 312.498 2.672 20 0 DFADMP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000657823838 430746348 /nfs/dbraw/zinc/74/63/48/430746348.db2.gz OTSASIZEZCIVNA-SJLPKXTDSA-N 2 1 312.498 2.672 20 0 DFADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000644529075 430746561 /nfs/dbraw/zinc/74/65/61/430746561.db2.gz UZZINKHAAXXTQF-QGZVFWFLSA-N 2 1 315.461 2.638 20 0 DFADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000644529075 430746570 /nfs/dbraw/zinc/74/65/70/430746570.db2.gz UZZINKHAAXXTQF-QGZVFWFLSA-N 2 1 315.461 2.638 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657832421 430747696 /nfs/dbraw/zinc/74/76/96/430747696.db2.gz CQLBYZLAAOUYHG-GFCCVEGCSA-N 2 1 301.381 2.638 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(C(F)F)nc1 ZINC000657832421 430747700 /nfs/dbraw/zinc/74/77/00/430747700.db2.gz CQLBYZLAAOUYHG-GFCCVEGCSA-N 2 1 301.381 2.638 20 0 DFADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@@H](C(C)C)[NH+]1CCCC1 ZINC000657833064 430748987 /nfs/dbraw/zinc/74/89/87/430748987.db2.gz MPNKETHXPHMTOF-MSOLQXFVSA-N 2 1 312.498 2.528 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C1CC1)C1CC1 ZINC000644578793 430758311 /nfs/dbraw/zinc/75/83/11/430758311.db2.gz HFEFFYRFYLZZFH-GOSISDBHSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC(C1CC1)C1CC1 ZINC000644578793 430758313 /nfs/dbraw/zinc/75/83/13/430758313.db2.gz HFEFFYRFYLZZFH-GOSISDBHSA-N 2 1 302.462 2.505 20 0 DFADMP CCOC1CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000657873424 430758506 /nfs/dbraw/zinc/75/85/06/430758506.db2.gz MLGNUVSXHUWQSR-UHFFFAOYSA-N 2 1 310.482 2.569 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc2cnccc2o1 ZINC000657882124 430761147 /nfs/dbraw/zinc/76/11/47/430761147.db2.gz XUJQKOANILJVSH-GOEBONIOSA-N 2 1 317.433 2.715 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CCCSCC3)CC2)nc(C)[nH+]1 ZINC000657900807 430763805 /nfs/dbraw/zinc/76/38/05/430763805.db2.gz NFUZRYIXJACZAW-HNNXBMFYSA-N 2 1 320.506 2.938 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H](CO)CC(F)(F)F)CC2)C1 ZINC000358353283 278498917 /nfs/dbraw/zinc/49/89/17/278498917.db2.gz JZRFIPCHHBGZOL-BPLDGKMQSA-N 2 1 322.415 2.932 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1COCCO1 ZINC000661615337 430775174 /nfs/dbraw/zinc/77/51/74/430775174.db2.gz ZXOZDCKWNOGZAD-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000648406033 430775960 /nfs/dbraw/zinc/77/59/60/430775960.db2.gz AFHXDYLFHODQHB-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C1 ZINC000658136525 430821637 /nfs/dbraw/zinc/82/16/37/430821637.db2.gz HKEPRKREIOWQED-QZTJIDSGSA-N 2 1 300.446 2.676 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCC3)cc2)C1 ZINC000658139847 430823880 /nfs/dbraw/zinc/82/38/80/430823880.db2.gz TTWZTYNXAZIKJQ-VQTJNVASSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCCC1 ZINC000658139887 430824229 /nfs/dbraw/zinc/82/42/29/430824229.db2.gz NOCGHPKSMMSGQE-BEFAXECRSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)C1CC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658141950 430824288 /nfs/dbraw/zinc/82/42/88/430824288.db2.gz YCPNTGKDFBGPJC-ACBHZAAOSA-N 2 1 302.462 2.777 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1(CO)CC1 ZINC000658155322 430826242 /nfs/dbraw/zinc/82/62/42/430826242.db2.gz OZVSITDBYQUKQQ-LZLYRXPVSA-N 2 1 302.462 2.648 20 0 DFADMP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000658170736 430833759 /nfs/dbraw/zinc/83/37/59/430833759.db2.gz NMUYFVYVFBWATI-GDAAHCPNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)CC(F)(F)F ZINC000644670257 430785136 /nfs/dbraw/zinc/78/51/36/430785136.db2.gz LFZGIFPWIAUIOU-ZFWWWQNUSA-N 2 1 318.383 2.657 20 0 DFADMP C[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)CC(F)(F)F ZINC000644670257 430785142 /nfs/dbraw/zinc/78/51/42/430785142.db2.gz LFZGIFPWIAUIOU-ZFWWWQNUSA-N 2 1 318.383 2.657 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000648432554 430785779 /nfs/dbraw/zinc/78/57/79/430785779.db2.gz XDAWZWKJCQOMCQ-YLJYHZDGSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCCN(C)C2)CC1 ZINC000648432554 430785785 /nfs/dbraw/zinc/78/57/85/430785785.db2.gz XDAWZWKJCQOMCQ-YLJYHZDGSA-N 2 1 315.505 2.766 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000661649926 430791060 /nfs/dbraw/zinc/79/10/60/430791060.db2.gz QVUFWLQMYWLHPD-WOJBJXKFSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000661649926 430791066 /nfs/dbraw/zinc/79/10/66/430791066.db2.gz QVUFWLQMYWLHPD-WOJBJXKFSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+](CCc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000661649926 430791072 /nfs/dbraw/zinc/79/10/72/430791072.db2.gz QVUFWLQMYWLHPD-WOJBJXKFSA-N 2 1 315.505 2.720 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CCO1 ZINC000648456327 430793874 /nfs/dbraw/zinc/79/38/74/430793874.db2.gz AASDEODUXMSYDJ-IAGOWNOFSA-N 2 1 324.509 2.957 20 0 DFADMP Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000658178110 430836381 /nfs/dbraw/zinc/83/63/81/430836381.db2.gz YWIFWBBGHZWOAN-IBGZPJMESA-N 2 1 302.462 2.689 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661666208 430798219 /nfs/dbraw/zinc/79/82/19/430798219.db2.gz UKRIIAWWGXQXRK-RBUKOAKNSA-N 2 1 304.478 2.816 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCO1 ZINC000648499219 430807187 /nfs/dbraw/zinc/80/71/87/430807187.db2.gz URPPFWNLCXRKAQ-IRXDYDNUSA-N 2 1 318.465 2.609 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000658230495 430844890 /nfs/dbraw/zinc/84/48/90/430844890.db2.gz ZEJLJSIFPJYKBF-XGXHKWSGSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000658230495 430844894 /nfs/dbraw/zinc/84/48/94/430844894.db2.gz ZEJLJSIFPJYKBF-XGXHKWSGSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000658230495 430844902 /nfs/dbraw/zinc/84/49/02/430844902.db2.gz ZEJLJSIFPJYKBF-XGXHKWSGSA-N 2 1 305.510 2.856 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651681377 430847160 /nfs/dbraw/zinc/84/71/60/430847160.db2.gz MZHYCUSMGRHUIB-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(C)c3)nc2C)C1 ZINC000651681377 430847168 /nfs/dbraw/zinc/84/71/68/430847168.db2.gz MZHYCUSMGRHUIB-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C12CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658253139 430853787 /nfs/dbraw/zinc/85/37/87/430853787.db2.gz STKULDUGXHKSTQ-JCHJZTRSSA-N 2 1 314.473 2.790 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000658266230 430857225 /nfs/dbraw/zinc/85/72/25/430857225.db2.gz GMSYVRJHVSRYRK-HYVNUMGLSA-N 2 1 302.466 2.650 20 0 DFADMP CC(C)C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccs1 ZINC000665292234 430889123 /nfs/dbraw/zinc/88/91/23/430889123.db2.gz WQVHUSADMKPYJD-LBPRGKRZSA-N 2 1 306.435 2.579 20 0 DFADMP CC1(C)CCC(O)(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000658282260 430861634 /nfs/dbraw/zinc/86/16/34/430861634.db2.gz NTXDESDSDUUPIG-KRWDZBQOSA-N 2 1 324.509 2.551 20 0 DFADMP c1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)ccc2o1 ZINC000665238177 430862881 /nfs/dbraw/zinc/86/28/81/430862881.db2.gz SJCONCWEIXBEAN-GVDBMIGSSA-N 2 1 300.402 2.680 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000651738183 430863683 /nfs/dbraw/zinc/86/36/83/430863683.db2.gz DJOKPXPHJZFKDD-GOEBONIOSA-N 2 1 300.450 2.888 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000651738183 430863688 /nfs/dbraw/zinc/86/36/88/430863688.db2.gz DJOKPXPHJZFKDD-GOEBONIOSA-N 2 1 300.450 2.888 20 0 DFADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000665234980 430863885 /nfs/dbraw/zinc/86/38/85/430863885.db2.gz NOHISSZFWZXXCH-RBUKOAKNSA-N 2 1 309.413 2.557 20 0 DFADMP CC(=O)NCc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000665234981 430863912 /nfs/dbraw/zinc/86/39/12/430863912.db2.gz NOHISSZFWZXXCH-RTBURBONSA-N 2 1 309.413 2.557 20 0 DFADMP C[C@H]([NH2+]C[C@H](OC1CCCC1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665237416 430864139 /nfs/dbraw/zinc/86/41/39/430864139.db2.gz AIXDYWJVHQZDQX-SCRDCRAPSA-N 2 1 308.388 2.854 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[C@H](C)[C@@H]1OC ZINC000366727212 278634924 /nfs/dbraw/zinc/63/49/24/278634924.db2.gz CEFOEKACQVPZKX-DIECFANBSA-N 2 1 305.466 2.875 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000648717360 430869482 /nfs/dbraw/zinc/86/94/82/430869482.db2.gz VKGPMNQQAADUSG-HZPDHXFCSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000648717360 430869486 /nfs/dbraw/zinc/86/94/86/430869486.db2.gz VKGPMNQQAADUSG-HZPDHXFCSA-N 2 1 320.481 2.777 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCCC[NH3+])cc1 ZINC000665255027 430870346 /nfs/dbraw/zinc/87/03/46/430870346.db2.gz GVZROQHOKREGJT-MNEFBYGVSA-N 3 1 319.493 2.638 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCOC1 ZINC000665253938 430870541 /nfs/dbraw/zinc/87/05/41/430870541.db2.gz CWQAQCNYOZJWBN-DZOHQFGASA-N 2 1 306.425 2.676 20 0 DFADMP COC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)CC1 ZINC000665253993 430870853 /nfs/dbraw/zinc/87/08/53/430870853.db2.gz FJLWHSMBFLHYLT-OPQOLIRYSA-N 2 1 306.425 2.818 20 0 DFADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CCCCC1 ZINC000658307571 430872279 /nfs/dbraw/zinc/87/22/79/430872279.db2.gz LLSHMSCKATWIJA-ZACQAIPSSA-N 2 1 321.509 2.535 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)CCCCO)cc1 ZINC000665255145 430872462 /nfs/dbraw/zinc/87/24/62/430872462.db2.gz KDHIGNIXMBLTIT-MNEFBYGVSA-N 2 1 320.477 2.672 20 0 DFADMP COCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259929 430872528 /nfs/dbraw/zinc/87/25/28/430872528.db2.gz VMSAHPDBCPJBBF-FRFSOERESA-N 2 1 324.440 2.685 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@@H]3C)on2)cc1 ZINC000665262077 430874029 /nfs/dbraw/zinc/87/40/29/430874029.db2.gz SQTVMNOCXXVJJL-SUMWQHHRSA-N 2 1 315.417 2.828 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267237 430876938 /nfs/dbraw/zinc/87/69/38/430876938.db2.gz SJLJMBSYQCZCQI-DOTOQJQBSA-N 2 1 316.493 2.906 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000665267237 430876942 /nfs/dbraw/zinc/87/69/42/430876942.db2.gz SJLJMBSYQCZCQI-DOTOQJQBSA-N 2 1 316.493 2.906 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000648746526 430877900 /nfs/dbraw/zinc/87/79/00/430877900.db2.gz DUXIAXMVCULGRF-BZUAXINKSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000648746526 430877902 /nfs/dbraw/zinc/87/79/02/430877902.db2.gz DUXIAXMVCULGRF-BZUAXINKSA-N 2 1 320.481 2.633 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000665273287 430879539 /nfs/dbraw/zinc/87/95/39/430879539.db2.gz SYNSVRUQVCAXNS-LSDHHAIUSA-N 2 1 304.482 2.620 20 0 DFADMP Clc1ccccc1C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@H]1CCCO1 ZINC000665280227 430880844 /nfs/dbraw/zinc/88/08/44/430880844.db2.gz WHQIEIAQPDFHSO-JDCHQWLXSA-N 2 1 320.864 2.772 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCSC[C@H]2C2CC2)cc1 ZINC000648752519 430880987 /nfs/dbraw/zinc/88/09/87/430880987.db2.gz JXLPOXSILVAICE-SFHVURJKSA-N 2 1 320.502 2.954 20 0 DFADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@H]2CCCC[N@H+]2C)cn1 ZINC000661779903 430838472 /nfs/dbraw/zinc/83/84/72/430838472.db2.gz OLEREKMMSKBHFD-KSZLIROESA-N 2 1 304.482 2.595 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2c1CCC2 ZINC000651651113 430839052 /nfs/dbraw/zinc/83/90/52/430839052.db2.gz LZPVPMJQLHHVON-HOJAQTOUSA-N 2 1 314.473 2.859 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2c1CCC2 ZINC000651651114 430839874 /nfs/dbraw/zinc/83/98/74/430839874.db2.gz LZPVPMJQLHHVON-MISYRCLQSA-N 2 1 314.473 2.859 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)[C@@H](C)C1 ZINC000658217507 430842660 /nfs/dbraw/zinc/84/26/60/430842660.db2.gz FIGWAXIOERXLAK-MHORFTMASA-N 2 1 312.498 2.671 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN(Cc1ccccc1F)CC1CC1 ZINC000661793657 430843567 /nfs/dbraw/zinc/84/35/67/430843567.db2.gz QNGNWBCAEPQGGA-KRWDZBQOSA-N 2 1 308.441 2.739 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2ccccc2-n2ccnc21)[C@@H]1CCC[NH2+]C1 ZINC000665299662 430891487 /nfs/dbraw/zinc/89/14/87/430891487.db2.gz QYOWLXMKPQRXED-USXIJHARSA-N 2 1 310.445 2.837 20 0 DFADMP CC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1nnc2n1CCCCC2 ZINC000661938982 430894560 /nfs/dbraw/zinc/89/45/60/430894560.db2.gz GTIXINJFRDTLOV-HNNXBMFYSA-N 2 1 316.453 2.640 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC1CC[NH+](CC)CC1 ZINC000648796697 430895849 /nfs/dbraw/zinc/89/58/49/430895849.db2.gz NGZXXSMJAACRHJ-HNNXBMFYSA-N 2 1 320.481 2.635 20 0 DFADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000648801799 430898365 /nfs/dbraw/zinc/89/83/65/430898365.db2.gz CYUDVZDZFNOVDP-HZPDHXFCSA-N 2 1 320.481 2.587 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000648801799 430898370 /nfs/dbraw/zinc/89/83/70/430898370.db2.gz CYUDVZDZFNOVDP-HZPDHXFCSA-N 2 1 320.481 2.587 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000651866091 430898405 /nfs/dbraw/zinc/89/84/05/430898405.db2.gz UNJHZKLETPTVAP-KRWDZBQOSA-N 2 1 311.514 2.735 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000651866053 430898930 /nfs/dbraw/zinc/89/89/30/430898930.db2.gz RYZOPEPHGPYIFM-MRXNPFEDSA-N 2 1 305.466 2.971 20 0 DFADMP C[C@@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)C1CCCCC1 ZINC000645095047 430900586 /nfs/dbraw/zinc/90/05/86/430900586.db2.gz QXJPJULBVBQHHU-HKUYNNGSSA-N 2 1 307.526 2.915 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000648837165 430908857 /nfs/dbraw/zinc/90/88/57/430908857.db2.gz DWRIAYMHIWUYLQ-QQFBHYJXSA-N 2 1 320.481 2.633 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000319385460 533691086 /nfs/dbraw/zinc/69/10/86/533691086.db2.gz KJETXUPSDCGFDR-OIISXLGYSA-N 2 1 301.434 2.620 20 0 DFADMP CC[N@H+](CCC[NH2+]Cc1cnc(N(C)C)n1C)C1CCCCC1 ZINC000651910519 430912204 /nfs/dbraw/zinc/91/22/04/430912204.db2.gz WTJRHUVQOKVJOB-UHFFFAOYSA-N 2 1 321.513 2.620 20 0 DFADMP CC[N@@H+](CCC[NH2+]Cc1cnc(N(C)C)n1C)C1CCCCC1 ZINC000651910519 430912205 /nfs/dbraw/zinc/91/22/05/430912205.db2.gz WTJRHUVQOKVJOB-UHFFFAOYSA-N 2 1 321.513 2.620 20 0 DFADMP COC[C@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648856764 430914697 /nfs/dbraw/zinc/91/46/97/430914697.db2.gz AMOKSHLSLFSDAW-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1conc1Cc1ccccc1)CC2 ZINC000645177387 430926956 /nfs/dbraw/zinc/92/69/56/430926956.db2.gz QEHWEYZMCURBOG-INIZCTEOSA-N 2 1 322.412 2.814 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655353709 430974250 /nfs/dbraw/zinc/97/42/50/430974250.db2.gz VMCLMWYQCSVHFZ-CABCVRRESA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655353709 430974254 /nfs/dbraw/zinc/97/42/54/430974254.db2.gz VMCLMWYQCSVHFZ-CABCVRRESA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000655351183 430974581 /nfs/dbraw/zinc/97/45/81/430974581.db2.gz PGRHTBQBMJBMQJ-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP O[C@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3C3CC3)CC2)C1 ZINC000662147389 430977792 /nfs/dbraw/zinc/97/77/92/430977792.db2.gz FNPLCLRDFBPPGZ-SFHVURJKSA-N 2 1 300.446 2.595 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3C3CC3)CC2)C1 ZINC000662147389 430977797 /nfs/dbraw/zinc/97/77/97/430977797.db2.gz FNPLCLRDFBPPGZ-SFHVURJKSA-N 2 1 300.446 2.595 20 0 DFADMP C[C@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1cccc(Cl)c1 ZINC000662151259 430981169 /nfs/dbraw/zinc/98/11/69/430981169.db2.gz HBXBQQUQBIAEIB-RDTXWAMCSA-N 2 1 322.880 2.975 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC000662155999 430984965 /nfs/dbraw/zinc/98/49/65/430984965.db2.gz KCYAKKIFZATSAX-HKUYNNGSSA-N 2 1 300.446 2.595 20 0 DFADMP CCC(C)(C)[NH+]1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000655409888 430996145 /nfs/dbraw/zinc/99/61/45/430996145.db2.gz KTLAVFZVXWPTQD-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262333 431023094 /nfs/dbraw/zinc/02/30/94/431023094.db2.gz FTUSUUUKMFNNNW-SFHVURJKSA-N 2 1 301.478 2.639 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262333 431023101 /nfs/dbraw/zinc/02/31/01/431023101.db2.gz FTUSUUUKMFNNNW-SFHVURJKSA-N 3 1 301.478 2.639 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262333 431023106 /nfs/dbraw/zinc/02/31/06/431023106.db2.gz FTUSUUUKMFNNNW-SFHVURJKSA-N 3 1 301.478 2.639 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262333 431023110 /nfs/dbraw/zinc/02/31/10/431023110.db2.gz FTUSUUUKMFNNNW-SFHVURJKSA-N 3 1 301.478 2.639 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262333 431023113 /nfs/dbraw/zinc/02/31/13/431023113.db2.gz FTUSUUUKMFNNNW-SFHVURJKSA-N 3 1 301.478 2.639 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCc3nsc4ccccc43)C[C@@H]21 ZINC000662266204 431024354 /nfs/dbraw/zinc/02/43/54/431024354.db2.gz KMNREYPYPVGZMG-VHDGCEQUSA-N 2 1 301.459 2.898 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655484871 431025026 /nfs/dbraw/zinc/02/50/26/431025026.db2.gz ZIVSXZNUNCYLCD-MJGOQNOKSA-N 2 1 321.509 2.537 20 0 DFADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662267150 431025139 /nfs/dbraw/zinc/02/51/39/431025139.db2.gz BXURWICPMOBSNM-JONQDZQNSA-N 2 1 305.491 2.909 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)[C@@H](CC)CO1 ZINC000652344472 431025199 /nfs/dbraw/zinc/02/51/99/431025199.db2.gz JITJGSQDPFLCTM-IXDOHACOSA-N 2 1 306.450 2.627 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)[C@@H](CC)CO1 ZINC000652344472 431025202 /nfs/dbraw/zinc/02/52/02/431025202.db2.gz JITJGSQDPFLCTM-IXDOHACOSA-N 2 1 306.450 2.627 20 0 DFADMP Cc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345484 431026107 /nfs/dbraw/zinc/02/61/07/431026107.db2.gz CLIYEDXFFOQLRO-YQVWRLOYSA-N 2 1 318.461 2.592 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H]3CCC[NH2+]C3)C1)C[NH2+]CC2 ZINC000652340861 431026316 /nfs/dbraw/zinc/02/63/16/431026316.db2.gz JRSYSIYUVVZUIX-RTBURBONSA-N 3 1 313.489 2.544 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCSc2ccc(F)cc2)CC12CCOCC2 ZINC000662272047 431026471 /nfs/dbraw/zinc/02/64/71/431026471.db2.gz CACFJGAWJYEWFS-AWEZNQCLSA-N 2 1 324.465 2.605 20 0 DFADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652349389 431026980 /nfs/dbraw/zinc/02/69/80/431026980.db2.gz MZYFXARXSRULRK-FHWLQOOXSA-N 2 1 302.462 2.967 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000652352748 431027710 /nfs/dbraw/zinc/02/77/10/431027710.db2.gz UBKHXWYLWJHTIF-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000652352748 431027716 /nfs/dbraw/zinc/02/77/16/431027716.db2.gz UBKHXWYLWJHTIF-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)C1 ZINC000652350080 431027899 /nfs/dbraw/zinc/02/78/99/431027899.db2.gz FHGRUKWRBASKNI-IPMKNSEASA-N 2 1 324.509 2.802 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1CC[NH3+] ZINC000652355196 431030064 /nfs/dbraw/zinc/03/00/64/431030064.db2.gz QUCIVOOZCCGHCZ-GDBMZVCRSA-N 2 1 314.433 2.728 20 0 DFADMP c1cc(C[N@H+]2CC[C@H](C3CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662278295 431030268 /nfs/dbraw/zinc/03/02/68/431030268.db2.gz DVWHRKHXAPQTIX-KRWDZBQOSA-N 2 1 300.446 2.581 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@H]1CC[NH3+] ZINC000652355221 431030531 /nfs/dbraw/zinc/03/05/31/431030531.db2.gz RMDBWMSLUBJTDW-KSSFIOAISA-N 2 1 316.424 2.961 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@H]1CC[NH3+] ZINC000652355221 431030537 /nfs/dbraw/zinc/03/05/37/431030537.db2.gz RMDBWMSLUBJTDW-KSSFIOAISA-N 2 1 316.424 2.961 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000652359483 431032787 /nfs/dbraw/zinc/03/27/87/431032787.db2.gz FBXPXEOTJKOTDR-UHFFFAOYSA-N 2 1 302.397 2.572 20 0 DFADMP c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283568 431033028 /nfs/dbraw/zinc/03/30/28/431033028.db2.gz AONOQTKDXBDXPW-RTBURBONSA-N 2 1 314.473 2.995 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662294569 431034391 /nfs/dbraw/zinc/03/43/91/431034391.db2.gz QXOARHAPKDTJBM-QGZVFWFLSA-N 2 1 318.461 2.786 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294664 431034443 /nfs/dbraw/zinc/03/44/43/431034443.db2.gz DNYGORYKYSUBGO-IUODEOHRSA-N 2 1 304.438 2.720 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000662286906 431034486 /nfs/dbraw/zinc/03/44/86/431034486.db2.gz TVMSKJIYAQEHNK-CBBWQLFWSA-N 2 1 304.425 2.886 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662299026 431038542 /nfs/dbraw/zinc/03/85/42/431038542.db2.gz ZHULQVIMRDDHQP-SFHVURJKSA-N 2 1 315.461 2.857 20 0 DFADMP CCCCc1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295959 431038576 /nfs/dbraw/zinc/03/85/76/431038576.db2.gz JGLQIHCWYKWKJZ-OAHLLOKOSA-N 2 1 306.454 2.624 20 0 DFADMP CN(CCc1ccccc1)[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000662306237 431040355 /nfs/dbraw/zinc/04/03/55/431040355.db2.gz PKAGVUCMLCMEFK-FQEVSTJZSA-N 2 1 315.505 2.625 20 0 DFADMP Fc1cccc([C@@H]2COCC[N@@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000662310222 431042507 /nfs/dbraw/zinc/04/25/07/431042507.db2.gz IDBXONHRRPZRHN-SFHVURJKSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1cccc([C@@H]2COCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000662310222 431042509 /nfs/dbraw/zinc/04/25/09/431042509.db2.gz IDBXONHRRPZRHN-SFHVURJKSA-N 2 1 306.425 2.979 20 0 DFADMP CCc1cccc(OCC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662317194 431043769 /nfs/dbraw/zinc/04/37/69/431043769.db2.gz NMYWZQGFHXAPEF-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP CCc1cccc(OCC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662317194 431043772 /nfs/dbraw/zinc/04/37/72/431043772.db2.gz NMYWZQGFHXAPEF-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1CC1CCC1 ZINC000662318747 431044233 /nfs/dbraw/zinc/04/42/33/431044233.db2.gz FVWIGQHFXRZGEH-AABGKKOBSA-N 2 1 316.489 2.962 20 0 DFADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@@H]1CCc2ccccc21 ZINC000662320991 431046029 /nfs/dbraw/zinc/04/60/29/431046029.db2.gz GDDJGOOXRWVESV-JBACZVJFSA-N 2 1 324.468 2.579 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CCO1 ZINC000662319374 431046535 /nfs/dbraw/zinc/04/65/35/431046535.db2.gz IJOFRRVTNAUZDQ-LJQANCHMSA-N 2 1 302.462 2.718 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CCO1 ZINC000662319374 431046539 /nfs/dbraw/zinc/04/65/39/431046539.db2.gz IJOFRRVTNAUZDQ-LJQANCHMSA-N 2 1 302.462 2.718 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CCO1 ZINC000662325752 431047138 /nfs/dbraw/zinc/04/71/38/431047138.db2.gz JKIXERGVCCFAEB-LSDHHAIUSA-N 2 1 304.425 2.855 20 0 DFADMP CC(C)[NH2+]CC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000662387208 431069933 /nfs/dbraw/zinc/06/99/33/431069933.db2.gz JHKNJILIQBDKEE-MRXNPFEDSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321477 431047470 /nfs/dbraw/zinc/04/74/70/431047470.db2.gz JDBBHBBUAIHRBD-KZNAEPCWSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321477 431047471 /nfs/dbraw/zinc/04/74/71/431047471.db2.gz JDBBHBBUAIHRBD-KZNAEPCWSA-N 2 1 312.498 2.624 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000665857643 431051317 /nfs/dbraw/zinc/05/13/17/431051317.db2.gz BDRPWUVJOJPKAP-CYBMUJFWSA-N 2 1 320.481 2.822 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000649311540 431063636 /nfs/dbraw/zinc/06/36/36/431063636.db2.gz YIXZUVHFLQXOIZ-KNXWPPODSA-N 2 1 321.509 2.617 20 0 DFADMP CC(C)[NH2+]CC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000662386701 431068573 /nfs/dbraw/zinc/06/85/73/431068573.db2.gz FDZNSVKJMDWDBP-MRXNPFEDSA-N 2 1 317.477 2.533 20 0 DFADMP C[N@H+](Cc1ccc(C(F)(F)F)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248689 431013057 /nfs/dbraw/zinc/01/30/57/431013057.db2.gz ASMRLFMRGNKRCI-CQSZACIVSA-N 2 1 314.351 2.658 20 0 DFADMP c1ccc(CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)cc1 ZINC000662255701 431014811 /nfs/dbraw/zinc/01/48/11/431014811.db2.gz CLWUUVCKSOQCEO-LJQANCHMSA-N 2 1 314.473 2.995 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256150 431016456 /nfs/dbraw/zinc/01/64/56/431016456.db2.gz HDZAXVIJGNBRJS-RTBURBONSA-N 2 1 314.473 2.771 20 0 DFADMP Clc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253019 431016791 /nfs/dbraw/zinc/01/67/91/431016791.db2.gz GLHHJFKKGKDQEZ-CVEARBPZSA-N 2 1 320.864 2.868 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1c1ccccc1 ZINC000662257541 431017880 /nfs/dbraw/zinc/01/78/80/431017880.db2.gz POTRFTZIJIJPKU-NJAFHUGGSA-N 2 1 300.446 2.633 20 0 DFADMP Cc1ccsc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655736540 431108669 /nfs/dbraw/zinc/10/86/69/431108669.db2.gz RQUKFBKBTGCHAG-INIZCTEOSA-N 2 1 308.491 2.832 20 0 DFADMP CC(C)C[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655747213 431112550 /nfs/dbraw/zinc/11/25/50/431112550.db2.gz CDYUZZJOBSYKPL-CEXWTWQISA-N 2 1 324.509 2.813 20 0 DFADMP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000655758679 431120605 /nfs/dbraw/zinc/12/06/05/431120605.db2.gz WYYYLGHNEJEPGC-MRXNPFEDSA-N 2 1 324.415 2.740 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000645941629 431121896 /nfs/dbraw/zinc/12/18/96/431121896.db2.gz ABWHJTCSFQKHPH-IXDOHACOSA-N 2 1 318.465 2.653 20 0 DFADMP FC1(F)CCC[C@H](C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655763115 431123260 /nfs/dbraw/zinc/12/32/60/431123260.db2.gz LFRRRXZMHZGNJM-ZFWWWQNUSA-N 2 1 302.409 2.655 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000662592326 431125010 /nfs/dbraw/zinc/12/50/10/431125010.db2.gz IXOPMAYMTUEEJZ-OAHLLOKOSA-N 2 1 309.498 2.522 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000649341723 431070773 /nfs/dbraw/zinc/07/07/73/431070773.db2.gz SRDIMVANPHASCA-ULQDDVLXSA-N 2 1 309.498 2.617 20 0 DFADMP C[N@@H+](CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C1CCCCC1 ZINC000662414504 431076260 /nfs/dbraw/zinc/07/62/60/431076260.db2.gz AEPMHEAYDHJPOA-SFHVURJKSA-N 2 1 315.461 2.602 20 0 DFADMP Cc1ccc(SCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655683420 431081263 /nfs/dbraw/zinc/08/12/63/431081263.db2.gz RCSGIYCEHJBZNG-KRWDZBQOSA-N 2 1 320.502 2.930 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662438733 431082256 /nfs/dbraw/zinc/08/22/56/431082256.db2.gz ASMBYTGDYGFNQT-WMLDXEAASA-N 2 1 317.477 2.525 20 0 DFADMP Cc1ccc(OCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655689017 431082752 /nfs/dbraw/zinc/08/27/52/431082752.db2.gz CUMUNKDOPYBMQD-IBGZPJMESA-N 2 1 318.461 2.607 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)c1ccccc1 ZINC000655696943 431087336 /nfs/dbraw/zinc/08/73/36/431087336.db2.gz CUVUJSMSWBLPBT-MOPGFXCFSA-N 2 1 318.461 2.607 20 0 DFADMP CC(C)c1nc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cs1 ZINC000655705193 431088936 /nfs/dbraw/zinc/08/89/36/431088936.db2.gz YOSRYALITHPBPE-INIZCTEOSA-N 2 1 323.506 2.652 20 0 DFADMP Cc1ccc(OCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655704536 431089943 /nfs/dbraw/zinc/08/99/43/431089943.db2.gz FGZSTONHVUINJM-SFHVURJKSA-N 2 1 318.461 2.607 20 0 DFADMP Cc1cccc(C)c1OCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655700666 431090103 /nfs/dbraw/zinc/09/01/03/431090103.db2.gz LAQKSBVDUAXPEA-SFHVURJKSA-N 2 1 318.461 2.525 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000649413519 431092644 /nfs/dbraw/zinc/09/26/44/431092644.db2.gz CIBAFYHYFJLNCP-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1ccccc1CN1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)CC1 ZINC000649411568 431092826 /nfs/dbraw/zinc/09/28/26/431092826.db2.gz HFFJEQIIZSHCQR-GOSISDBHSA-N 2 1 301.478 2.502 20 0 DFADMP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(F)c1 ZINC000655710591 431093944 /nfs/dbraw/zinc/09/39/44/431093944.db2.gz AJHVECCCYVINQF-QGZVFWFLSA-N 2 1 324.415 2.740 20 0 DFADMP Oc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655714340 431094930 /nfs/dbraw/zinc/09/49/30/431094930.db2.gz AYMXDUHYPPWPLB-CRAIPNDOSA-N 2 1 316.445 2.613 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649414741 431095191 /nfs/dbraw/zinc/09/51/91/431095191.db2.gz UVWYGVZYAWUCKN-IRXDYDNUSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649414741 431095195 /nfs/dbraw/zinc/09/51/95/431095195.db2.gz UVWYGVZYAWUCKN-IRXDYDNUSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)c1 ZINC000649414741 431095199 /nfs/dbraw/zinc/09/51/99/431095199.db2.gz UVWYGVZYAWUCKN-IRXDYDNUSA-N 3 1 302.466 2.514 20 0 DFADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000649413971 431095440 /nfs/dbraw/zinc/09/54/40/431095440.db2.gz ZVJGCIAQIKQHAT-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP CN(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)c1ccccc1 ZINC000649418219 431096086 /nfs/dbraw/zinc/09/60/86/431096086.db2.gz JRUMOBICHUEVHQ-QZTJIDSGSA-N 2 1 301.478 2.834 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655715885 431096153 /nfs/dbraw/zinc/09/61/53/431096153.db2.gz JGXCGTQXOHUSGI-KBXCAEBGSA-N 2 1 306.425 2.772 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000649414742 431096912 /nfs/dbraw/zinc/09/69/12/431096912.db2.gz UVWYGVZYAWUCKN-SJORKVTESA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000649414742 431096915 /nfs/dbraw/zinc/09/69/15/431096915.db2.gz UVWYGVZYAWUCKN-SJORKVTESA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000649414742 431096920 /nfs/dbraw/zinc/09/69/20/431096920.db2.gz UVWYGVZYAWUCKN-SJORKVTESA-N 3 1 302.466 2.514 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000649414740 431096984 /nfs/dbraw/zinc/09/69/84/431096984.db2.gz UVWYGVZYAWUCKN-IAGOWNOFSA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000649414740 431096986 /nfs/dbraw/zinc/09/69/86/431096986.db2.gz UVWYGVZYAWUCKN-IAGOWNOFSA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)c1 ZINC000649414740 431096989 /nfs/dbraw/zinc/09/69/89/431096989.db2.gz UVWYGVZYAWUCKN-IAGOWNOFSA-N 3 1 302.466 2.514 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](C)SC2)[C@@H](C)C1 ZINC000655714859 431097183 /nfs/dbraw/zinc/09/71/83/431097183.db2.gz FNVSYYKMVVRRHD-HZMVEIRTSA-N 2 1 314.539 2.997 20 0 DFADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655726770 431103869 /nfs/dbraw/zinc/10/38/69/431103869.db2.gz DXIGCPLCPOSHMX-UHOSZYNNSA-N 2 1 300.446 2.633 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000662524778 431105093 /nfs/dbraw/zinc/10/50/93/431105093.db2.gz OTYPSGDDJBMLNM-UONOGXRCSA-N 2 1 322.478 2.585 20 0 DFADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655734897 431105538 /nfs/dbraw/zinc/10/55/38/431105538.db2.gz PJKREBRBAUKXRZ-NZSAHSFTSA-N 2 1 324.509 2.551 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1Cl ZINC000655733152 431106014 /nfs/dbraw/zinc/10/60/14/431106014.db2.gz JFJWAWKKRVHHLF-HNNXBMFYSA-N 2 1 324.852 2.692 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[C@@H](C)SC3)C2)nc(C)[nH+]1 ZINC000655731814 431106350 /nfs/dbraw/zinc/10/63/50/431106350.db2.gz UINXFHFAQLOBTK-KBMXLJTQSA-N 2 1 320.506 2.936 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CCC2CC[NH2+]CC2)c1 ZINC000236876125 279040724 /nfs/dbraw/zinc/04/07/24/279040724.db2.gz DVRNWYAWPPYROD-UHFFFAOYSA-N 2 1 317.477 2.534 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH+](C)C)CC1)c1ccccc1 ZINC000277157653 279042488 /nfs/dbraw/zinc/04/24/88/279042488.db2.gz IZDBBMHKQHMCGI-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1cccnc1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772785 431128570 /nfs/dbraw/zinc/12/85/70/431128570.db2.gz QSNABLUWQXHJID-GOSISDBHSA-N 2 1 317.477 2.556 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000361498186 279168150 /nfs/dbraw/zinc/16/81/50/279168150.db2.gz SAMWBBARMWBKDK-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000662622166 431138099 /nfs/dbraw/zinc/13/80/99/431138099.db2.gz PULMNXGDRJAWLY-HOTGVXAUSA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H](CCN[C@H]1CC[N@@H+](C)C[C@@H]1C)[NH+](C)Cc1ccccc1 ZINC000156209860 279268188 /nfs/dbraw/zinc/26/81/88/279268188.db2.gz SKGLPIVQOKXOMS-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH+](C)C[C@@H]1C)[N@H+](C)Cc1ccccc1 ZINC000156209860 279268190 /nfs/dbraw/zinc/26/81/90/279268190.db2.gz SKGLPIVQOKXOMS-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH+](C)C[C@@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000156209860 279268192 /nfs/dbraw/zinc/26/81/92/279268192.db2.gz SKGLPIVQOKXOMS-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000361669353 279283809 /nfs/dbraw/zinc/28/38/09/279283809.db2.gz AVRGSPYMHRRQLD-FUHWJXTLSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000361669353 279283811 /nfs/dbraw/zinc/28/38/11/279283811.db2.gz AVRGSPYMHRRQLD-FUHWJXTLSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCC1 ZINC000361669353 279283813 /nfs/dbraw/zinc/28/38/13/279283813.db2.gz AVRGSPYMHRRQLD-FUHWJXTLSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCC1 ZINC000361669353 279283814 /nfs/dbraw/zinc/28/38/14/279283814.db2.gz AVRGSPYMHRRQLD-FUHWJXTLSA-N 2 1 321.509 2.582 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655792271 431142709 /nfs/dbraw/zinc/14/27/09/431142709.db2.gz YQSORJIBTIPNLE-OTWHNJEPSA-N 2 1 322.493 2.567 20 0 DFADMP CN(C[C@H]1CCC[N@H+]1C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000649560404 431161953 /nfs/dbraw/zinc/16/19/53/431161953.db2.gz LCXIELPJUMEFDY-LJQANCHMSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H]([NH+]3CCCC3)CC2)C1 ZINC000659943800 431201183 /nfs/dbraw/zinc/20/11/83/431201183.db2.gz FILAEADIWJVWMU-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646073978 431173928 /nfs/dbraw/zinc/17/39/28/431173928.db2.gz MRAXYWYEUISECR-VAMGGRTRSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646073978 431173932 /nfs/dbraw/zinc/17/39/32/431173932.db2.gz MRAXYWYEUISECR-VAMGGRTRSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646073978 431173940 /nfs/dbraw/zinc/17/39/40/431173940.db2.gz MRAXYWYEUISECR-VAMGGRTRSA-N 2 1 316.489 2.929 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662729040 431175952 /nfs/dbraw/zinc/17/59/52/431175952.db2.gz GAXWALAFINKMPP-OAHLLOKOSA-N 2 1 321.509 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccn2)[C@@H](C)C1 ZINC000655836210 431177618 /nfs/dbraw/zinc/17/76/18/431177618.db2.gz FXCQXLABKXCEGH-LNLFQRSKSA-N 2 1 319.493 2.739 20 0 DFADMP CC[C@@H](CC(F)F)C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000659892133 431177882 /nfs/dbraw/zinc/17/78/82/431177882.db2.gz RWZBIDSDCBJWKE-KBPBESRZSA-N 2 1 306.441 2.692 20 0 DFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+](CCC=C(C)C)CC2)CC1 ZINC000659910924 431184734 /nfs/dbraw/zinc/18/47/34/431184734.db2.gz AQKWQUVWHOQLHR-UHFFFAOYSA-N 2 1 321.509 2.609 20 0 DFADMP CC[C@@H](CC(F)F)C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000659908401 431185942 /nfs/dbraw/zinc/18/59/42/431185942.db2.gz FGMXIVFEQAISKR-HOTGVXAUSA-N 2 1 317.468 2.770 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCCc3ccccc31)CCO2 ZINC000646104380 431187252 /nfs/dbraw/zinc/18/72/52/431187252.db2.gz LPQMDOBDNCBNBN-GOSISDBHSA-N 2 1 300.446 2.861 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3(C)COC3)C2)s1 ZINC000649604009 431190415 /nfs/dbraw/zinc/19/04/15/431190415.db2.gz NILXSFGUXBWEKK-OAHLLOKOSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3(C)COC3)C2)s1 ZINC000649604009 431190421 /nfs/dbraw/zinc/19/04/21/431190421.db2.gz NILXSFGUXBWEKK-OAHLLOKOSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3(C)COC3)C2)s1 ZINC000649604009 431190424 /nfs/dbraw/zinc/19/04/24/431190424.db2.gz NILXSFGUXBWEKK-OAHLLOKOSA-N 2 1 308.491 2.847 20 0 DFADMP COc1cccc(C2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC000659864167 431156697 /nfs/dbraw/zinc/15/66/97/431156697.db2.gz JWIUJZOFQJUJKC-GOSISDBHSA-N 2 1 320.477 2.576 20 0 DFADMP COc1cccc(C2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000659864167 431156703 /nfs/dbraw/zinc/15/67/03/431156703.db2.gz JWIUJZOFQJUJKC-GOSISDBHSA-N 2 1 320.477 2.576 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000655806710 431157787 /nfs/dbraw/zinc/15/77/87/431157787.db2.gz ZPUNRVBIVRZPCK-LMCOJAPRSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000655806710 431157797 /nfs/dbraw/zinc/15/77/97/431157797.db2.gz ZPUNRVBIVRZPCK-LMCOJAPRSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662674995 431158737 /nfs/dbraw/zinc/15/87/37/431158737.db2.gz IIPSIYZMIJEZOT-AWEZNQCLSA-N 2 1 301.434 2.881 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000649624430 431206028 /nfs/dbraw/zinc/20/60/28/431206028.db2.gz ABXSRCVRRJFQSS-SFHVURJKSA-N 2 1 300.446 2.500 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655907885 431214146 /nfs/dbraw/zinc/21/41/46/431214146.db2.gz PIEQXQZOWFSIAT-DLBZAZTESA-N 2 1 316.449 2.544 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000660035840 431241799 /nfs/dbraw/zinc/24/17/99/431241799.db2.gz DEEVQBNOOCXAMD-IEBWSBKVSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000660035840 431241807 /nfs/dbraw/zinc/24/18/07/431241807.db2.gz DEEVQBNOOCXAMD-IEBWSBKVSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000660035840 431241812 /nfs/dbraw/zinc/24/18/12/431241812.db2.gz DEEVQBNOOCXAMD-IEBWSBKVSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000660035840 431241821 /nfs/dbraw/zinc/24/18/21/431241821.db2.gz DEEVQBNOOCXAMD-IEBWSBKVSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000646275467 431249855 /nfs/dbraw/zinc/24/98/55/431249855.db2.gz YYKCIEKHMDOQCJ-BFYDXBDKSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000646275467 431249861 /nfs/dbraw/zinc/24/98/61/431249861.db2.gz YYKCIEKHMDOQCJ-BFYDXBDKSA-N 2 1 323.868 2.575 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@H](O)C1CC1 ZINC000663076511 431280278 /nfs/dbraw/zinc/28/02/78/431280278.db2.gz BFJDBNAQQMOLTC-IBGZPJMESA-N 2 1 302.462 2.875 20 0 DFADMP C[C@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660154158 431294649 /nfs/dbraw/zinc/29/46/49/431294649.db2.gz JIDJWBGVDUFDBL-MTFMMBMASA-N 2 1 313.489 2.500 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000653176227 431295267 /nfs/dbraw/zinc/29/52/67/431295267.db2.gz NKYNMLMDLNUYBL-QGZVFWFLSA-N 2 1 305.466 2.561 20 0 DFADMP Cn1cnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000660166673 431301042 /nfs/dbraw/zinc/30/10/42/431301042.db2.gz SFPGQSCFASYRKD-UHFFFAOYSA-N 2 1 313.449 2.554 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(CC[NH2+]C(C)(C)C)CC1 ZINC000666619040 431301297 /nfs/dbraw/zinc/30/12/97/431301297.db2.gz JOLOINHPLBYLTN-UHFFFAOYSA-N 2 1 303.494 2.891 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@]1(C)CCCC[NH2+]1)C1CCCCC1 ZINC000653200941 431305329 /nfs/dbraw/zinc/30/53/29/431305329.db2.gz VDTONTQULWZJAX-SFHVURJKSA-N 2 1 309.498 2.680 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1CCCCC1 ZINC000653200634 431305694 /nfs/dbraw/zinc/30/56/94/431305694.db2.gz KZAJUVBXPNHEGX-NVXWUHKLSA-N 2 1 311.514 2.767 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000656197091 431306552 /nfs/dbraw/zinc/30/65/52/431306552.db2.gz BURGSFNYCUIYBF-OAGGEKHMSA-N 2 1 307.507 2.820 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000656197091 431306556 /nfs/dbraw/zinc/30/65/56/431306556.db2.gz BURGSFNYCUIYBF-OAGGEKHMSA-N 3 1 307.507 2.820 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000666645444 431312193 /nfs/dbraw/zinc/31/21/93/431312193.db2.gz SRCQPNQEQBNZNH-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000653108894 431270982 /nfs/dbraw/zinc/27/09/82/431270982.db2.gz LXIOBARGGCPIRD-INIZCTEOSA-N 2 1 317.477 2.533 20 0 DFADMP COc1c(C)ncnc1NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000656125190 431271300 /nfs/dbraw/zinc/27/13/00/431271300.db2.gz ZKWZLGYRRACUKW-ZDUSSCGKSA-N 2 1 300.406 2.726 20 0 DFADMP c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)[C@H]21 ZINC000656261325 431338750 /nfs/dbraw/zinc/33/87/50/431338750.db2.gz IEBPHOPLBNDDBR-MDNKFWRPSA-N 2 1 312.457 2.558 20 0 DFADMP CN(C(=O)CC[NH2+]CC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000663280132 431350909 /nfs/dbraw/zinc/35/09/09/431350909.db2.gz SSPNLTJPFZLNGD-UHFFFAOYSA-N 2 1 317.477 2.894 20 0 DFADMP C[N@@H+](C[C@@H]1CCn2ccnc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000656504267 431413114 /nfs/dbraw/zinc/41/31/14/431413114.db2.gz RRYQCVKNIYEAMU-MOPGFXCFSA-N 2 1 324.472 2.652 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000666953932 431421914 /nfs/dbraw/zinc/42/19/14/431421914.db2.gz LJKQHHVOFVBPNC-BHIYHBOVSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000666953932 431421918 /nfs/dbraw/zinc/42/19/18/431421918.db2.gz LJKQHHVOFVBPNC-BHIYHBOVSA-N 3 1 313.489 2.771 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663344283 431373089 /nfs/dbraw/zinc/37/30/89/431373089.db2.gz QQBJSZKHWYLSKP-MRXNPFEDSA-N 2 1 316.493 2.986 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663344283 431373099 /nfs/dbraw/zinc/37/30/99/431373099.db2.gz QQBJSZKHWYLSKP-MRXNPFEDSA-N 2 1 316.493 2.986 20 0 DFADMP c1ccc(N2CC[C@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663347153 431375497 /nfs/dbraw/zinc/37/54/97/431375497.db2.gz ZWHHUWFBZKZTHO-OALUTQOASA-N 2 1 313.489 2.977 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1O ZINC000663347668 431376332 /nfs/dbraw/zinc/37/63/32/431376332.db2.gz RSCYDLGODOJJLZ-INIZCTEOSA-N 2 1 304.434 2.612 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1O ZINC000663347668 431376342 /nfs/dbraw/zinc/37/63/42/431376342.db2.gz RSCYDLGODOJJLZ-INIZCTEOSA-N 2 1 304.434 2.612 20 0 DFADMP CC[C@H](C[NH+]1CCCC1)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000653372038 431379650 /nfs/dbraw/zinc/37/96/50/431379650.db2.gz FIYQAUDRSCSEGH-CQSZACIVSA-N 2 1 315.421 2.639 20 0 DFADMP CN(C(=O)CC[NH2+]CC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000663357903 431381997 /nfs/dbraw/zinc/38/19/97/431381997.db2.gz ZAQBJBSAJVBJPF-UHFFFAOYSA-N 2 1 317.477 2.894 20 0 DFADMP Clc1ccccc1Cn1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)cn1 ZINC000666855241 431386153 /nfs/dbraw/zinc/38/61/53/431386153.db2.gz GVIDWUPEYODGBW-MRXNPFEDSA-N 2 1 318.852 2.817 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@H]3CCC[C@H]3C[NH3+])n2)C1 ZINC000653472226 431393286 /nfs/dbraw/zinc/39/32/86/431393286.db2.gz JGXUKSNWIJVYMM-KBPBESRZSA-N 2 1 303.454 2.642 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CCC(F)(F)CC3)CC2)C1 ZINC000656469275 431397096 /nfs/dbraw/zinc/39/70/96/431397096.db2.gz RTKSPRIVSFPNOZ-MRXNPFEDSA-N 2 1 315.452 2.524 20 0 DFADMP COCC[N@H+](C)CCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663386657 431398820 /nfs/dbraw/zinc/39/88/20/431398820.db2.gz AESOHZCSBUZRSU-UHFFFAOYSA-N 2 1 305.344 2.789 20 0 DFADMP COCC[N@@H+](C)CCCNc1cc(C(F)(F)F)cc(C)[nH+]1 ZINC000663386657 431398824 /nfs/dbraw/zinc/39/88/24/431398824.db2.gz AESOHZCSBUZRSU-UHFFFAOYSA-N 2 1 305.344 2.789 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cnc21 ZINC000666998535 431440271 /nfs/dbraw/zinc/44/02/71/431440271.db2.gz ZQGOQVZDFPHWAQ-INIZCTEOSA-N 2 1 313.449 2.777 20 0 DFADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c1)O[C@H](C)C2 ZINC000666998539 431440430 /nfs/dbraw/zinc/44/04/30/431440430.db2.gz ZRGIYAFMIBSSSH-CZUORRHYSA-N 2 1 316.445 2.783 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000667041724 431455913 /nfs/dbraw/zinc/45/59/13/431455913.db2.gz LMNPMZWMAKNZDZ-WMLDXEAASA-N 2 1 323.506 2.985 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCC[C@H]3O)C2)s1 ZINC000660496245 431459856 /nfs/dbraw/zinc/45/98/56/431459856.db2.gz FTOPMQOWNNNGMD-DJIMGWMZSA-N 2 1 308.491 2.724 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCC[C@H]3O)C2)s1 ZINC000660496245 431459860 /nfs/dbraw/zinc/45/98/60/431459860.db2.gz FTOPMQOWNNNGMD-DJIMGWMZSA-N 2 1 308.491 2.724 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCC[C@H]3O)C2)s1 ZINC000660496245 431459865 /nfs/dbraw/zinc/45/98/65/431459865.db2.gz FTOPMQOWNNNGMD-DJIMGWMZSA-N 2 1 308.491 2.724 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCC[C@H]3O)C2)s1 ZINC000660496245 431459873 /nfs/dbraw/zinc/45/98/73/431459873.db2.gz FTOPMQOWNNNGMD-DJIMGWMZSA-N 2 1 308.491 2.724 20 0 DFADMP C[C@@H](c1cccnc1)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663611844 431479465 /nfs/dbraw/zinc/47/94/65/431479465.db2.gz RJPKPEMICVUGRO-AWEZNQCLSA-N 2 1 307.401 2.841 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CCC1 ZINC000660435779 431429314 /nfs/dbraw/zinc/42/93/14/431429314.db2.gz QNJOJIJXLOMQED-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435779 431429316 /nfs/dbraw/zinc/42/93/16/431429316.db2.gz QNJOJIJXLOMQED-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435779 431429325 /nfs/dbraw/zinc/42/93/25/431429325.db2.gz QNJOJIJXLOMQED-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435779 431429332 /nfs/dbraw/zinc/42/93/32/431429332.db2.gz QNJOJIJXLOMQED-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435779 431429338 /nfs/dbraw/zinc/42/93/38/431429338.db2.gz QNJOJIJXLOMQED-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466472 431432934 /nfs/dbraw/zinc/43/29/34/431432934.db2.gz UHAHCXHBDDFROX-DOTOQJQBSA-N 2 1 302.466 2.509 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466472 431432936 /nfs/dbraw/zinc/43/29/36/431432936.db2.gz UHAHCXHBDDFROX-DOTOQJQBSA-N 2 1 302.466 2.509 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(CO)c1 ZINC000663471819 431436228 /nfs/dbraw/zinc/43/62/28/431436228.db2.gz YMWJHGYVRQEWOX-QAPCUYQASA-N 2 1 302.462 2.952 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)ccc21 ZINC000656783928 431519681 /nfs/dbraw/zinc/51/96/81/431519681.db2.gz WJJXVGMMVFSOJK-QGZVFWFLSA-N 2 1 312.461 2.785 20 0 DFADMP Fc1cccn2cc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)nc12 ZINC000656784343 431520197 /nfs/dbraw/zinc/52/01/97/431520197.db2.gz COMOAXYXSVUDEG-OAHLLOKOSA-N 2 1 316.424 2.685 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656782000 431521051 /nfs/dbraw/zinc/52/10/51/431521051.db2.gz CBMKUXKKEFBADC-MRXNPFEDSA-N 2 1 303.450 2.610 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CCCC1 ZINC000656788120 431521792 /nfs/dbraw/zinc/52/17/92/431521792.db2.gz CKIBUIRXZIJXHM-UHFFFAOYSA-N 2 1 310.825 2.862 20 0 DFADMP c1cc2c(c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c1)OCO2 ZINC000656785139 431523146 /nfs/dbraw/zinc/52/31/46/431523146.db2.gz JJYHWBMQUDGMJB-OAHLLOKOSA-N 2 1 302.418 2.627 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN(C)Cc1oc2c(cccc2C)c1C ZINC000653778856 431524752 /nfs/dbraw/zinc/52/47/52/431524752.db2.gz GVECEUVUYPKXGG-OAHLLOKOSA-N 2 1 304.434 2.794 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(F)c(Br)c2)CCCC1 ZINC000656788597 431524964 /nfs/dbraw/zinc/52/49/64/431524964.db2.gz VCXVCZDTSHELFJ-UHFFFAOYSA-N 2 1 301.203 2.949 20 0 DFADMP C[N@H+]1C[C@@H](CN[C@H]2CC[NH+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249219 431528781 /nfs/dbraw/zinc/52/87/81/431528781.db2.gz KMXNSCREUASMHC-FYQPLNBISA-N 2 1 313.489 2.548 20 0 DFADMP C[NH+]1C[C@@H](CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249219 431528787 /nfs/dbraw/zinc/52/87/87/431528787.db2.gz KMXNSCREUASMHC-FYQPLNBISA-N 2 1 313.489 2.548 20 0 DFADMP C[NH+]1C[C@@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249219 431528796 /nfs/dbraw/zinc/52/87/96/431528796.db2.gz KMXNSCREUASMHC-FYQPLNBISA-N 2 1 313.489 2.548 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660651488 431529007 /nfs/dbraw/zinc/52/90/07/431529007.db2.gz AMMNRYRRJTUBAA-MTNOOBJLSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1ncsc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249007 431529883 /nfs/dbraw/zinc/52/98/83/431529883.db2.gz XIPFLLUQJIWECC-CVEARBPZSA-N 2 1 301.459 2.887 20 0 DFADMP Cc1ncsc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249007 431529889 /nfs/dbraw/zinc/52/98/89/431529889.db2.gz XIPFLLUQJIWECC-CVEARBPZSA-N 2 1 301.459 2.887 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)Cc1nc(-c2ccc(C[NH3+])cc2)no1 ZINC000647159244 431486285 /nfs/dbraw/zinc/48/62/85/431486285.db2.gz SRPWKHQMYHJVFZ-GFCCVEGCSA-N 2 1 311.389 2.758 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1 ZINC000656701537 431486334 /nfs/dbraw/zinc/48/63/34/431486334.db2.gz XCWPJXFHTGEXJX-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1 ZINC000656701537 431486335 /nfs/dbraw/zinc/48/63/35/431486335.db2.gz XCWPJXFHTGEXJX-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1 ZINC000656701537 431486338 /nfs/dbraw/zinc/48/63/38/431486338.db2.gz XCWPJXFHTGEXJX-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+]CC(C)(C)C[NH+](C)C)cn1 ZINC000647166628 431490219 /nfs/dbraw/zinc/49/02/19/431490219.db2.gz ZNYVNBFJNXWHEY-UHFFFAOYSA-N 2 1 300.450 2.858 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000647172162 431493245 /nfs/dbraw/zinc/49/32/45/431493245.db2.gz KWHYMYUUGCTITF-QZTJIDSGSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000647172162 431493249 /nfs/dbraw/zinc/49/32/49/431493249.db2.gz KWHYMYUUGCTITF-QZTJIDSGSA-N 2 1 310.445 2.897 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000647184926 431499587 /nfs/dbraw/zinc/49/95/87/431499587.db2.gz IILOHCKARFVUOC-CALCHBBNSA-N 2 1 322.497 2.518 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](Nc2nc(C)nc(C)c2Br)C1 ZINC000663707011 431508040 /nfs/dbraw/zinc/50/80/40/431508040.db2.gz IDQJMJKZEFWPGH-GZMMTYOYSA-N 2 1 313.243 2.608 20 0 DFADMP CCN1C[C@H](C)[C@H](Nc2nc(C)nc(C)c2Br)C1 ZINC000663707011 431508044 /nfs/dbraw/zinc/50/80/44/431508044.db2.gz IDQJMJKZEFWPGH-GZMMTYOYSA-N 2 1 313.243 2.608 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cn1 ZINC000647206445 431510200 /nfs/dbraw/zinc/51/02/00/431510200.db2.gz RZCINJPRXNVSHW-INIZCTEOSA-N 2 1 321.428 2.729 20 0 DFADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344146 431557823 /nfs/dbraw/zinc/55/78/23/431557823.db2.gz KBJLKYWZOLXXGE-IQZDNPOKSA-N 2 1 316.489 2.981 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657674 431535542 /nfs/dbraw/zinc/53/55/42/431535542.db2.gz RYKWXPNOWHTDIM-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657674 431535549 /nfs/dbraw/zinc/53/55/49/431535549.db2.gz RYKWXPNOWHTDIM-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccc(-n3ccnc3)cc1)C2 ZINC000660657674 431535554 /nfs/dbraw/zinc/53/55/54/431535554.db2.gz RYKWXPNOWHTDIM-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCc2ncn(C)n2)cc1 ZINC000647325534 431548209 /nfs/dbraw/zinc/54/82/09/431548209.db2.gz IQRQXYBFWYJRIX-CQSZACIVSA-N 2 1 324.432 2.593 20 0 DFADMP CCc1ccccc1C[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660695618 431553059 /nfs/dbraw/zinc/55/30/59/431553059.db2.gz AGDATCYHFIXYNB-UHFFFAOYSA-N 2 1 304.478 2.822 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H]2CCC[C@@H]21 ZINC000647338377 431553278 /nfs/dbraw/zinc/55/32/78/431553278.db2.gz LWYQMTUDPTYEGO-HVMFNXBNSA-N 2 1 315.461 2.764 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000660697525 431554929 /nfs/dbraw/zinc/55/49/29/431554929.db2.gz GVGKGIPUEJSJEM-UHFFFAOYSA-N 2 1 318.505 2.864 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3c(cccc3C)n2)[C@H](C)C1 ZINC000647364999 431564981 /nfs/dbraw/zinc/56/49/81/431564981.db2.gz VVORENISMLHGEZ-RHSMWYFYSA-N 2 1 300.450 2.505 20 0 DFADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn21 ZINC000647364102 431565085 /nfs/dbraw/zinc/56/50/85/431565085.db2.gz RUQXJRKVKXCYRC-KZNAEPCWSA-N 2 1 312.461 2.648 20 0 DFADMP C[C@](O)(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157216730 280142845 /nfs/dbraw/zinc/14/28/45/280142845.db2.gz AJDVLMPWAIUREP-OALUTQOASA-N 2 1 302.462 2.844 20 0 DFADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000180467623 280186954 /nfs/dbraw/zinc/18/69/54/280186954.db2.gz QVXHUCCZGMQANV-GOSISDBHSA-N 2 1 307.457 2.894 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480698 431601144 /nfs/dbraw/zinc/60/11/44/431601144.db2.gz XLBUACWQWKSIAM-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)OCCCO2 ZINC000647480166 431602185 /nfs/dbraw/zinc/60/21/85/431602185.db2.gz DHCZRBWHEURCHY-WBVHZDCISA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)OCCCO2 ZINC000647480166 431602194 /nfs/dbraw/zinc/60/21/94/431602194.db2.gz DHCZRBWHEURCHY-WBVHZDCISA-N 2 1 316.445 2.812 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480399 431603341 /nfs/dbraw/zinc/60/33/41/431603341.db2.gz MHLGPUUYTQLCRR-RDJZCZTQSA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480399 431603347 /nfs/dbraw/zinc/60/33/47/431603347.db2.gz MHLGPUUYTQLCRR-RDJZCZTQSA-N 2 1 301.434 2.609 20 0 DFADMP CCN(C)c1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479759 431603450 /nfs/dbraw/zinc/60/34/50/431603450.db2.gz SYWBMKZPZRNGQJ-IRXDYDNUSA-N 2 1 302.466 2.502 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479759 431603454 /nfs/dbraw/zinc/60/34/54/431603454.db2.gz SYWBMKZPZRNGQJ-IRXDYDNUSA-N 2 1 302.466 2.502 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480232 431603705 /nfs/dbraw/zinc/60/37/05/431603705.db2.gz HICRTRFWDQYILF-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)C1 ZINC000650706630 431653634 /nfs/dbraw/zinc/65/36/34/431653634.db2.gz OSCJVWXTBRYCTR-VMGRFDJRSA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3scnc3C3CC3)C2)C1 ZINC000650707746 431654648 /nfs/dbraw/zinc/65/46/48/431654648.db2.gz MGLRRVKRLOKGBG-ZNMIVQPWSA-N 2 1 321.490 2.739 20 0 DFADMP c1nc2n(c1CNCc1ccc(C[NH+]3CCCC3)cc1)CCC2 ZINC000657298432 431655169 /nfs/dbraw/zinc/65/51/69/431655169.db2.gz UJSOOPOYJRMDOE-UHFFFAOYSA-N 3 1 310.445 2.715 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650708999 431656788 /nfs/dbraw/zinc/65/67/88/431656788.db2.gz YDWVNFZESIXRMF-BBRMVZONSA-N 2 1 308.495 2.550 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)s1 ZINC000650708999 431656794 /nfs/dbraw/zinc/65/67/94/431656794.db2.gz YDWVNFZESIXRMF-BBRMVZONSA-N 2 1 308.495 2.550 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708982 431657562 /nfs/dbraw/zinc/65/75/62/431657562.db2.gz XSPOLHAEFUENRB-HDMKZQKVSA-N 2 1 322.424 2.553 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c(F)c1 ZINC000650708981 431657804 /nfs/dbraw/zinc/65/78/04/431657804.db2.gz XSPOLHAEFUENRB-DAYGRLMNSA-N 2 1 322.424 2.553 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)C1 ZINC000650708920 431658103 /nfs/dbraw/zinc/65/81/03/431658103.db2.gz VNBRNDVDSILXMW-GGPKGHCWSA-N 2 1 314.473 2.894 20 0 DFADMP CCCCOc1ccccc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000650714640 431658850 /nfs/dbraw/zinc/65/88/50/431658850.db2.gz VNUAIAJQYKMBHU-SJLPKXTDSA-N 2 1 306.450 2.661 20 0 DFADMP CCCCOc1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000650714640 431658858 /nfs/dbraw/zinc/65/88/58/431658858.db2.gz VNUAIAJQYKMBHU-SJLPKXTDSA-N 2 1 306.450 2.661 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cn1 ZINC000650712055 431660006 /nfs/dbraw/zinc/66/00/06/431660006.db2.gz PCGWHCSVJRFKPU-DOTOQJQBSA-N 2 1 304.482 2.876 20 0 DFADMP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]C[C@H](C)[NH+](CC)CC)cn1 ZINC000657301401 431659935 /nfs/dbraw/zinc/65/99/35/431659935.db2.gz CWNVNVUVEIXKLN-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000660805246 431605162 /nfs/dbraw/zinc/60/51/62/431605162.db2.gz YWOGBLFFRKHGAF-OALUTQOASA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000660805246 431605169 /nfs/dbraw/zinc/60/51/69/431605169.db2.gz YWOGBLFFRKHGAF-OALUTQOASA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000660805246 431605173 /nfs/dbraw/zinc/60/51/73/431605173.db2.gz YWOGBLFFRKHGAF-OALUTQOASA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)CC[C@@H]1[NH3+] ZINC000647497684 431605358 /nfs/dbraw/zinc/60/53/58/431605358.db2.gz RLFYWCPNGWEENC-ZFWWWQNUSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)CC[C@@H]1[NH3+] ZINC000647497684 431605363 /nfs/dbraw/zinc/60/53/63/431605363.db2.gz RLFYWCPNGWEENC-ZFWWWQNUSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647498371 431607655 /nfs/dbraw/zinc/60/76/55/431607655.db2.gz GBSJWGCGHDQGKY-AAEUAGOBSA-N 2 1 302.340 2.986 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@@H]1[NH3+] ZINC000647498371 431607661 /nfs/dbraw/zinc/60/76/61/431607661.db2.gz GBSJWGCGHDQGKY-AAEUAGOBSA-N 2 1 302.340 2.986 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@@H]1[NH3+] ZINC000647499019 431608808 /nfs/dbraw/zinc/60/88/08/431608808.db2.gz WYZRSBNXSMQRJW-QRQLOZEOSA-N 2 1 318.461 2.804 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)CC[C@@H]1[NH3+] ZINC000647498627 431609104 /nfs/dbraw/zinc/60/91/04/431609104.db2.gz LHXBUMYBUSWVKG-XNJGSVPQSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)CC[C@@H]1[NH3+] ZINC000647498627 431609110 /nfs/dbraw/zinc/60/91/10/431609110.db2.gz LHXBUMYBUSWVKG-XNJGSVPQSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1[NH3+] ZINC000647499088 431609409 /nfs/dbraw/zinc/60/94/09/431609409.db2.gz ZGEJTZRKULLNMX-WBVHZDCISA-N 2 1 312.417 2.828 20 0 DFADMP Cc1ccc(CCC[N@H+](Cc2cccnc2)C[C@H]2CC[NH2+]C2)cn1 ZINC000647520351 431614081 /nfs/dbraw/zinc/61/40/81/431614081.db2.gz INBJCEMNWUIANJ-FQEVSTJZSA-N 2 1 324.472 2.829 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@H]1CCC[NH2+]CC1 ZINC000647521660 431615624 /nfs/dbraw/zinc/61/56/24/431615624.db2.gz UFWCVPCHFCFPJR-SFHVURJKSA-N 2 1 315.461 2.543 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531031 431617818 /nfs/dbraw/zinc/61/78/18/431617818.db2.gz XNZUNMNXYSTPBE-UHFFFAOYSA-N 2 1 302.397 2.633 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000647541501 431622932 /nfs/dbraw/zinc/62/29/32/431622932.db2.gz LNDINNVUFRRWLK-SFHVURJKSA-N 2 1 314.433 2.564 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)o1 ZINC000647541501 431622937 /nfs/dbraw/zinc/62/29/37/431622937.db2.gz LNDINNVUFRRWLK-SFHVURJKSA-N 2 1 314.433 2.564 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647543959 431623614 /nfs/dbraw/zinc/62/36/14/431623614.db2.gz UVRMOJLXIYCFTA-HZPDHXFCSA-N 2 1 303.450 2.692 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000647543883 431624836 /nfs/dbraw/zinc/62/48/36/431624836.db2.gz TWCGXRYDJPFAPQ-HZPDHXFCSA-N 2 1 318.509 2.929 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2cc3cc(C)c(C)cc3o2)C[C@H]1C[NH3+] ZINC000650715040 431661004 /nfs/dbraw/zinc/66/10/04/431661004.db2.gz MKAYFMCXZFFSBD-CRAIPNDOSA-N 2 1 302.418 2.845 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000647543881 431625032 /nfs/dbraw/zinc/62/50/32/431625032.db2.gz TWCGXRYDJPFAPQ-CVEARBPZSA-N 2 1 318.509 2.929 20 0 DFADMP COCc1nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543065 431625227 /nfs/dbraw/zinc/62/52/27/431625227.db2.gz HAYJPWSSDFXXOD-KBPBESRZSA-N 2 1 309.479 2.501 20 0 DFADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nn1C ZINC000647544533 431625711 /nfs/dbraw/zinc/62/57/11/431625711.db2.gz NRVWHDKQCZHTAZ-KGLIPLIRSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1c(Cl)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nn1C ZINC000647544533 431625716 /nfs/dbraw/zinc/62/57/16/431625716.db2.gz NRVWHDKQCZHTAZ-KGLIPLIRSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543327 431626252 /nfs/dbraw/zinc/62/62/52/431626252.db2.gz LALCVKDDOLLADN-IRXDYDNUSA-N 2 1 312.461 2.854 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@H]2C[NH2+]C[C@H](C)C2)cc1OC ZINC000647549395 431627813 /nfs/dbraw/zinc/62/78/13/431627813.db2.gz XMZCSKOGWMXFHV-UKRRQHHQSA-N 2 1 306.450 2.569 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000657264008 431642639 /nfs/dbraw/zinc/64/26/39/431642639.db2.gz NGLLWFISRKGWDH-SFHVURJKSA-N 2 1 302.462 2.792 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000657264008 431642644 /nfs/dbraw/zinc/64/26/44/431642644.db2.gz NGLLWFISRKGWDH-SFHVURJKSA-N 2 1 302.462 2.792 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000657306884 431661722 /nfs/dbraw/zinc/66/17/22/431661722.db2.gz AXAHBLPIIYDEOY-GFCCVEGCSA-N 2 1 324.266 2.726 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2F)C1 ZINC000650721841 431665441 /nfs/dbraw/zinc/66/54/41/431665441.db2.gz CXAGICRPCQNXFZ-PVAVHDDUSA-N 2 1 310.388 2.826 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)C1 ZINC000650721876 431666853 /nfs/dbraw/zinc/66/68/53/431666853.db2.gz DZEXNHQUEYSAFI-KBRIMQKVSA-N 2 1 310.388 2.826 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000657315353 431668879 /nfs/dbraw/zinc/66/88/79/431668879.db2.gz RFLBGZYUFADGLC-UHFFFAOYSA-N 2 1 312.461 2.961 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000657314825 431669789 /nfs/dbraw/zinc/66/97/89/431669789.db2.gz AZDRKGREBIHNID-WBVHZDCISA-N 2 1 306.450 2.532 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000657313039 431671805 /nfs/dbraw/zinc/67/18/05/431671805.db2.gz GKYKRWAUULMTGY-CGTJXYLNSA-N 2 1 318.461 2.817 20 0 DFADMP CC(C)n1ccnc1C[NH2+][C@H](Cc1ccccc1)CN(C)C ZINC000657323406 431676842 /nfs/dbraw/zinc/67/68/42/431676842.db2.gz ALRMJPKYFUIMDP-QGZVFWFLSA-N 2 1 300.450 2.727 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647785828 431685217 /nfs/dbraw/zinc/68/52/17/431685217.db2.gz FOLVOBORKSCCOO-CWQOZTLDSA-N 3 1 307.526 2.721 20 0 DFADMP C[C@@H]1C[C@H](C)CN(C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647785828 431685220 /nfs/dbraw/zinc/68/52/20/431685220.db2.gz FOLVOBORKSCCOO-CWQOZTLDSA-N 2 1 307.526 2.721 20 0 DFADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000647786078 431685274 /nfs/dbraw/zinc/68/52/74/431685274.db2.gz HPRWSWNELBAIBE-AQNXPRMDSA-N 2 1 316.489 2.983 20 0 DFADMP Fc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000657340818 431687879 /nfs/dbraw/zinc/68/78/79/431687879.db2.gz ZSCCIUHADGHLKR-GFCCVEGCSA-N 2 1 311.307 2.728 20 0 DFADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000657350360 431694262 /nfs/dbraw/zinc/69/42/62/431694262.db2.gz VOGJJWALKSQXRW-ZACQAIPSSA-N 2 1 309.498 2.522 20 0 DFADMP CCc1cccc2cc(C[NH2+][C@@H](C)CN3CC[NH+](C)CC3)oc21 ZINC000657353884 431697020 /nfs/dbraw/zinc/69/70/20/431697020.db2.gz KOZLUIGMHGFOMW-HNNXBMFYSA-N 2 1 315.461 2.721 20 0 DFADMP c1nc2n(c1CNC[C@@H]1CCC[N@H+]1CC1CCCCC1)CCC2 ZINC000657359412 431699476 /nfs/dbraw/zinc/69/94/76/431699476.db2.gz UIPQDRWTIPEPMN-KRWDZBQOSA-N 2 1 316.493 2.964 20 0 DFADMP C[N@@H+](CCCc1cccc2ccccc21)CCN1CC[NH2+]CC1 ZINC000647835541 431703852 /nfs/dbraw/zinc/70/38/52/431703852.db2.gz APUGVVDFDLHGFT-UHFFFAOYSA-N 2 1 311.473 2.609 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657413611 431734145 /nfs/dbraw/zinc/73/41/45/431734145.db2.gz NYYKMGCHSWQUPD-OAHLLOKOSA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657413611 431734153 /nfs/dbraw/zinc/73/41/53/431734153.db2.gz NYYKMGCHSWQUPD-OAHLLOKOSA-N 2 1 304.482 2.755 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCc2nc(-c3ccccc3)no2)CC[C@H]1[NH3+] ZINC000647939034 431739774 /nfs/dbraw/zinc/73/97/74/431739774.db2.gz ZNBPCISDJRXONX-GDBMZVCRSA-N 2 1 314.433 2.728 20 0 DFADMP CC[C@@]1(C(=O)NC[C@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000184150117 280634265 /nfs/dbraw/zinc/63/42/65/280634265.db2.gz NOXROHKKOIUJSL-WBVHZDCISA-N 2 1 323.868 2.591 20 0 DFADMP C[C@@]1(CNCc2cnn3c2CCC3)CCC[N@H+]1Cc1ccccc1 ZINC000657440602 431752869 /nfs/dbraw/zinc/75/28/69/431752869.db2.gz UAKBQTKDCANGDD-FQEVSTJZSA-N 2 1 324.472 2.974 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964155 431754357 /nfs/dbraw/zinc/75/43/57/431754357.db2.gz VJCKSAOBOBXKNS-RTBURBONSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964155 431754364 /nfs/dbraw/zinc/75/43/64/431754364.db2.gz VJCKSAOBOBXKNS-RTBURBONSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964155 431754368 /nfs/dbraw/zinc/75/43/68/431754368.db2.gz VJCKSAOBOBXKNS-RTBURBONSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)C1 ZINC000647964155 431754375 /nfs/dbraw/zinc/75/43/75/431754375.db2.gz VJCKSAOBOBXKNS-RTBURBONSA-N 2 1 304.478 2.741 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3ccncc3s2)CCCO1 ZINC000657448538 431755738 /nfs/dbraw/zinc/75/57/38/431755738.db2.gz LBCIMKNYNSNNPT-CQSZACIVSA-N 2 1 319.474 2.887 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975373 431761962 /nfs/dbraw/zinc/76/19/62/431761962.db2.gz YRNTUJQZEZVTPP-IRXDYDNUSA-N 2 1 315.461 2.645 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975502 431762062 /nfs/dbraw/zinc/76/20/62/431762062.db2.gz BEEIFODCEWNYPY-BPLDGKMQSA-N 2 1 304.438 2.720 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](C1CC1)C1CCCCC1 ZINC000647877543 431716142 /nfs/dbraw/zinc/71/61/42/431716142.db2.gz UPMLEMLLQLIMMW-OALUTQOASA-N 2 1 302.462 2.714 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](C1CC1)C1CCCCC1 ZINC000647877543 431716146 /nfs/dbraw/zinc/71/61/46/431716146.db2.gz UPMLEMLLQLIMMW-OALUTQOASA-N 2 1 302.462 2.714 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647881025 431716243 /nfs/dbraw/zinc/71/62/43/431716243.db2.gz VYGAGMQYIAFWNB-CQSZACIVSA-N 2 1 316.424 2.690 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657386082 431716654 /nfs/dbraw/zinc/71/66/54/431716654.db2.gz AMTFIDUXTRFWAX-VQIMIIECSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657386082 431716662 /nfs/dbraw/zinc/71/66/62/431716662.db2.gz AMTFIDUXTRFWAX-VQIMIIECSA-N 2 1 324.472 2.830 20 0 DFADMP C[NH2+]CCC[NH+]1CCC(c2nc(-c3ccccc3)no2)CC1 ZINC000647884407 431718390 /nfs/dbraw/zinc/71/83/90/431718390.db2.gz MELWYMWAFCVPAB-UHFFFAOYSA-N 2 1 300.406 2.526 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn3c2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000657388697 431721770 /nfs/dbraw/zinc/72/17/70/431721770.db2.gz OSLZLRMGALVXCC-LPHOPBHVSA-N 2 1 324.472 2.972 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn3c2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000657388697 431721774 /nfs/dbraw/zinc/72/17/74/431721774.db2.gz OSLZLRMGALVXCC-LPHOPBHVSA-N 2 1 324.472 2.972 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647902683 431723092 /nfs/dbraw/zinc/72/30/92/431723092.db2.gz BCNZMMMHIKDUJN-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904238 431723511 /nfs/dbraw/zinc/72/35/11/431723511.db2.gz ZOPIFFPLXKDWGP-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904238 431723515 /nfs/dbraw/zinc/72/35/15/431723515.db2.gz ZOPIFFPLXKDWGP-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072162 431808886 /nfs/dbraw/zinc/80/88/86/431808886.db2.gz PIGZQIUXGBRYSD-KRWDZBQOSA-N 2 1 302.462 2.662 20 0 DFADMP C[C@H](Cc1ccccc1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072163 431809643 /nfs/dbraw/zinc/80/96/43/431809643.db2.gz PIGZQIUXGBRYSD-QGZVFWFLSA-N 2 1 302.462 2.662 20 0 DFADMP Cc1nc2sccn2c1C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647988531 431766914 /nfs/dbraw/zinc/76/69/14/431766914.db2.gz YENUYYPXLZHSON-UHFFFAOYSA-N 2 1 306.479 2.916 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657491856 431782827 /nfs/dbraw/zinc/78/28/27/431782827.db2.gz LJZRKXSMMDZQHX-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP CC(C)C[N@@H+](C)CCCNCc1cc(C(F)(F)F)nn1C ZINC000657499487 431786839 /nfs/dbraw/zinc/78/68/39/431786839.db2.gz ABVCLOKWKZIEGC-UHFFFAOYSA-N 2 1 306.376 2.506 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3)cc2)C1 ZINC000657593496 431821409 /nfs/dbraw/zinc/82/14/09/431821409.db2.gz HZFABLDHNZCYPS-LJQANCHMSA-N 2 1 314.404 2.682 20 0 DFADMP C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000664570516 431822311 /nfs/dbraw/zinc/82/23/11/431822311.db2.gz WQNXFAUGHNFYKY-PMACEKPBSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000664570516 431822314 /nfs/dbraw/zinc/82/23/14/431822314.db2.gz WQNXFAUGHNFYKY-PMACEKPBSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2[C@@H](CC[N@H+]2Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000664570516 431822317 /nfs/dbraw/zinc/82/23/17/431822317.db2.gz WQNXFAUGHNFYKY-PMACEKPBSA-N 2 1 313.489 2.808 20 0 DFADMP FC1(F)C[C@@H]1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657619835 431827130 /nfs/dbraw/zinc/82/71/30/431827130.db2.gz VBVBSSPQIKJTMT-KRWDZBQOSA-N 2 1 324.415 2.707 20 0 DFADMP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657629087 431829297 /nfs/dbraw/zinc/82/92/97/431829297.db2.gz ZTOHCZUSFCHDIV-MCIONIFRSA-N 2 1 310.388 2.949 20 0 DFADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)c(C)c1 ZINC000289482430 281000542 /nfs/dbraw/zinc/00/05/42/281000542.db2.gz YDPLYVPJYRGLON-FUHWJXTLSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)c(C)c1 ZINC000289482430 281000544 /nfs/dbraw/zinc/00/05/44/281000544.db2.gz YDPLYVPJYRGLON-FUHWJXTLSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c(C)c1 ZINC000289482430 281000546 /nfs/dbraw/zinc/00/05/46/281000546.db2.gz YDPLYVPJYRGLON-FUHWJXTLSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)c(C)c1 ZINC000289482430 281000549 /nfs/dbraw/zinc/00/05/49/281000549.db2.gz YDPLYVPJYRGLON-FUHWJXTLSA-N 2 1 302.462 2.548 20 0 DFADMP CC[C@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000134564150 281302687 /nfs/dbraw/zinc/30/26/87/281302687.db2.gz DRQPIJGEBPFVDR-LJQANCHMSA-N 2 1 317.477 2.675 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CCN(c2[nH]cc[nH+]2)CC1 ZINC000291012742 281308559 /nfs/dbraw/zinc/30/85/59/281308559.db2.gz WLISTBSXJMLIFN-UHFFFAOYSA-N 2 1 307.401 2.901 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2OCC[N@H+](C)[C@H]2C1 ZINC000285090750 281308581 /nfs/dbraw/zinc/30/85/81/281308581.db2.gz QEJPNXUBRYKJGC-IRXDYDNUSA-N 2 1 311.429 2.761 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)Nc2nccs2)CC1 ZINC000363373861 289084609 /nfs/dbraw/zinc/08/46/09/289084609.db2.gz CYUSJQYUZAEPOG-UHFFFAOYSA-N 2 1 324.494 2.526 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1C ZINC000363413399 289091132 /nfs/dbraw/zinc/09/11/32/289091132.db2.gz BTENVWWMFPSURF-SOLBZPMBSA-N 2 1 315.461 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1C ZINC000363413399 289091134 /nfs/dbraw/zinc/09/11/34/289091134.db2.gz BTENVWWMFPSURF-SOLBZPMBSA-N 2 1 315.461 2.623 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH+](CC)C2)cc1 ZINC000412841981 289100199 /nfs/dbraw/zinc/10/01/99/289100199.db2.gz NRKJIQVTYPFYCQ-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC)C2)cc1 ZINC000412841981 289100204 /nfs/dbraw/zinc/10/02/04/289100204.db2.gz NRKJIQVTYPFYCQ-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000412841981 289100208 /nfs/dbraw/zinc/10/02/08/289100208.db2.gz NRKJIQVTYPFYCQ-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@H](C[NH+]1CCCCC1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000359119220 289572596 /nfs/dbraw/zinc/57/25/96/289572596.db2.gz WYSYUTIEZLJGJD-CQSZACIVSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476720 290019580 /nfs/dbraw/zinc/01/95/80/290019580.db2.gz YCFZICIRGCMSCO-BMFAXAFESA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476720 290019582 /nfs/dbraw/zinc/01/95/82/290019582.db2.gz YCFZICIRGCMSCO-BMFAXAFESA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476720 290019583 /nfs/dbraw/zinc/01/95/83/290019583.db2.gz YCFZICIRGCMSCO-BMFAXAFESA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476720 290019585 /nfs/dbraw/zinc/01/95/85/290019585.db2.gz YCFZICIRGCMSCO-BMFAXAFESA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358476720 290019587 /nfs/dbraw/zinc/01/95/87/290019587.db2.gz YCFZICIRGCMSCO-BMFAXAFESA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476720 290019588 /nfs/dbraw/zinc/01/95/88/290019588.db2.gz YCFZICIRGCMSCO-BMFAXAFESA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476720 290019590 /nfs/dbraw/zinc/01/95/90/290019590.db2.gz YCFZICIRGCMSCO-BMFAXAFESA-N 3 1 305.510 2.856 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437102892 297054559 /nfs/dbraw/zinc/05/45/59/297054559.db2.gz ZVADEMHJLRQDPP-FUHWJXTLSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437102892 297054561 /nfs/dbraw/zinc/05/45/61/297054561.db2.gz ZVADEMHJLRQDPP-FUHWJXTLSA-N 2 1 301.478 2.896 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000438089902 297079110 /nfs/dbraw/zinc/07/91/10/297079110.db2.gz SMNGMXWIQUEHLG-KRWDZBQOSA-N 2 1 302.462 2.976 20 0 DFADMP FC(F)(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000262011611 294661159 /nfs/dbraw/zinc/66/11/59/294661159.db2.gz VPSPAFOFQYJPPV-ODGNXRKOSA-N 2 1 320.399 2.854 20 0 DFADMP CCc1nc(C)c([C@H](C)[NH2+]CCCCN2CC[NH+](C)CC2)s1 ZINC000154342494 295297495 /nfs/dbraw/zinc/29/74/95/295297495.db2.gz BRBBMCBVTITAKN-AWEZNQCLSA-N 2 1 324.538 2.692 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC(F)F ZINC000156058698 295330424 /nfs/dbraw/zinc/33/04/24/295330424.db2.gz WOWBTJSESJPDMN-ZYHUDNBSSA-N 2 1 300.349 2.608 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)cc1OC(F)F ZINC000156058698 295330425 /nfs/dbraw/zinc/33/04/25/295330425.db2.gz WOWBTJSESJPDMN-ZYHUDNBSSA-N 2 1 300.349 2.608 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158144431 295358578 /nfs/dbraw/zinc/35/85/78/295358578.db2.gz PLHULKAATNACGL-CVEARBPZSA-N 2 1 306.450 2.704 20 0 DFADMP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178958647 295361222 /nfs/dbraw/zinc/36/12/22/295361222.db2.gz SPSDWUPVZRKLIT-SFHVURJKSA-N 2 1 318.461 2.676 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)CCC2 ZINC000158895881 295369114 /nfs/dbraw/zinc/36/91/14/295369114.db2.gz LVWFOYSHXCDFKM-OXJNMPFZSA-N 2 1 316.489 2.919 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000159219012 295373746 /nfs/dbraw/zinc/37/37/46/295373746.db2.gz ILFJFLSLCBNPEE-CKDBGZEDSA-N 2 1 320.481 2.597 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)NC1CCC(C)CC1 ZINC000159219012 295373748 /nfs/dbraw/zinc/37/37/48/295373748.db2.gz ILFJFLSLCBNPEE-CKDBGZEDSA-N 2 1 320.481 2.597 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccccc1CC[NH+](C)C ZINC000438569154 297099329 /nfs/dbraw/zinc/09/93/29/297099329.db2.gz LUPRXWFQGJMBLC-GASCZTMLSA-N 2 1 303.450 2.602 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccccc2C)CC1 ZINC000438719935 297102825 /nfs/dbraw/zinc/10/28/25/297102825.db2.gz DXBSLYQRKMKEJS-UHFFFAOYSA-N 2 1 303.450 2.740 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2C)CC1 ZINC000438719935 297102826 /nfs/dbraw/zinc/10/28/26/297102826.db2.gz DXBSLYQRKMKEJS-UHFFFAOYSA-N 2 1 303.450 2.740 20 0 DFADMP CC[C@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)[NH+](CC)CC ZINC000439701295 297135664 /nfs/dbraw/zinc/13/56/64/297135664.db2.gz JKOQOQRBADGZOZ-IAGOWNOFSA-N 2 1 311.514 2.734 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440268890 297149271 /nfs/dbraw/zinc/14/92/71/297149271.db2.gz NXIGJTJBUIZNRE-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440268890 297149273 /nfs/dbraw/zinc/14/92/73/297149273.db2.gz NXIGJTJBUIZNRE-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440268890 297149275 /nfs/dbraw/zinc/14/92/75/297149275.db2.gz NXIGJTJBUIZNRE-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000440328718 297150177 /nfs/dbraw/zinc/15/01/77/297150177.db2.gz PNWMGOJZSLYWCA-ZDUSSCGKSA-N 2 1 314.458 2.779 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000440328718 297150178 /nfs/dbraw/zinc/15/01/78/297150178.db2.gz PNWMGOJZSLYWCA-ZDUSSCGKSA-N 2 1 314.458 2.779 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(F)cc2Cl)CC1(C)C ZINC000441342816 297180211 /nfs/dbraw/zinc/18/02/11/297180211.db2.gz UQGUNPJCQWPKHD-UHFFFAOYSA-N 2 1 313.848 2.595 20 0 DFADMP COc1ccc(-c2cnc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)o2)cc1 ZINC000442755032 297204493 /nfs/dbraw/zinc/20/44/93/297204493.db2.gz BNWKXJOCGDXDPM-CHWSQXEVSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)o2)cc1 ZINC000442755032 297204494 /nfs/dbraw/zinc/20/44/94/297204494.db2.gz BNWKXJOCGDXDPM-CHWSQXEVSA-N 2 1 301.390 2.519 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442757261 297204758 /nfs/dbraw/zinc/20/47/58/297204758.db2.gz LVSOAJYLHVBKFM-ILXRZTDVSA-N 2 1 311.429 2.836 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442757261 297204759 /nfs/dbraw/zinc/20/47/59/297204759.db2.gz LVSOAJYLHVBKFM-ILXRZTDVSA-N 2 1 311.429 2.836 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC(C(F)F)CC2)CCCO1 ZINC000442849670 297207964 /nfs/dbraw/zinc/20/79/64/297207964.db2.gz CKPMPAFNUDKSKL-NFOMZHRRSA-N 2 1 304.425 2.901 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC(C(F)F)CC2)CCCO1 ZINC000442849670 297207967 /nfs/dbraw/zinc/20/79/67/297207967.db2.gz CKPMPAFNUDKSKL-NFOMZHRRSA-N 2 1 304.425 2.901 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000442921772 297211090 /nfs/dbraw/zinc/21/10/90/297211090.db2.gz JRZMMWCJHMKTSA-LBPRGKRZSA-N 2 1 304.463 2.834 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)co2)cc1 ZINC000443054867 297213428 /nfs/dbraw/zinc/21/34/28/297213428.db2.gz AQCVVDNQCHIDRM-AWEZNQCLSA-N 2 1 315.417 2.911 20 0 DFADMP Cc1cccc(-c2noc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2)c1 ZINC000443064118 297214337 /nfs/dbraw/zinc/21/43/37/297214337.db2.gz BSCHYGTYXYXXOV-CQSZACIVSA-N 2 1 300.406 2.606 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443062690 297214449 /nfs/dbraw/zinc/21/44/49/297214449.db2.gz UZXKYCUBZUIFBG-IRXDYDNUSA-N 2 1 317.477 3.000 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443068426 297214766 /nfs/dbraw/zinc/21/47/66/297214766.db2.gz ICOBGTUZEJCNLE-DLBZAZTESA-N 2 1 317.477 2.541 20 0 DFADMP C[C@H](c1nc(Cc2ccccc2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443064936 297214770 /nfs/dbraw/zinc/21/47/70/297214770.db2.gz ZCBJPWBGJPETGH-ZBFHGGJFSA-N 2 1 314.433 2.782 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443214691 297217604 /nfs/dbraw/zinc/21/76/04/297217604.db2.gz LJERGZPSXHKJLA-DKKFBQAASA-N 2 1 303.494 2.916 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443214691 297217606 /nfs/dbraw/zinc/21/76/06/297217606.db2.gz LJERGZPSXHKJLA-DKKFBQAASA-N 2 1 303.494 2.916 20 0 DFADMP CC(C)CSCCC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000443625698 297223346 /nfs/dbraw/zinc/22/33/46/297223346.db2.gz HKAUCGFVLVJUOJ-HNNXBMFYSA-N 2 1 302.528 2.543 20 0 DFADMP OC[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448078623 297331930 /nfs/dbraw/zinc/33/19/30/297331930.db2.gz VAFQURRTGIOZBT-IEBWSBKVSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CC2(CCC2)C1 ZINC000448078623 297331931 /nfs/dbraw/zinc/33/19/31/297331931.db2.gz VAFQURRTGIOZBT-IEBWSBKVSA-N 2 1 314.473 2.792 20 0 DFADMP Cc1cccc(CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000449022916 297392552 /nfs/dbraw/zinc/39/25/52/297392552.db2.gz LRIVDNKLQKBILA-FQEVSTJZSA-N 2 1 315.505 2.639 20 0 DFADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccncc3F)CC2)C[C@@H](C)O1 ZINC000449022191 297392719 /nfs/dbraw/zinc/39/27/19/297392719.db2.gz XAABTWHZLRVTNT-HUUCEWRRSA-N 2 1 321.440 2.542 20 0 DFADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cs1 ZINC000449022933 297392873 /nfs/dbraw/zinc/39/28/73/297392873.db2.gz LYOKSWFWOPFIIT-QGZVFWFLSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1cc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cs1 ZINC000449022933 297392874 /nfs/dbraw/zinc/39/28/74/297392874.db2.gz LYOKSWFWOPFIIT-QGZVFWFLSA-N 2 1 307.507 2.658 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCOC3(CCC3)C2)s1 ZINC000449482003 297477218 /nfs/dbraw/zinc/47/72/18/297477218.db2.gz XHPUFOZKBFAACY-CYBMUJFWSA-N 2 1 309.479 2.644 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000449686572 297512584 /nfs/dbraw/zinc/51/25/84/297512584.db2.gz XHUYRUCKUSCQRX-CVEARBPZSA-N 2 1 323.868 2.591 20 0 DFADMP COc1ccc(OCCC[NH2+]C(C)(C)C[NH+]2CCCC2)cc1 ZINC000452092621 297924505 /nfs/dbraw/zinc/92/45/05/297924505.db2.gz VMCUAEGAFVZQPJ-UHFFFAOYSA-N 2 1 306.450 2.928 20 0 DFADMP OCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453212326 298071395 /nfs/dbraw/zinc/07/13/95/298071395.db2.gz HVQXQWXZMNPDKU-OTWHNJEPSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453217530 298072673 /nfs/dbraw/zinc/07/26/73/298072673.db2.gz LWROHUVSMFCMQZ-AEFFLSMTSA-N 2 1 310.445 2.519 20 0 DFADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453313947 298082737 /nfs/dbraw/zinc/08/27/37/298082737.db2.gz DZGFTEDHBSZOOF-JLJPHGGASA-N 2 1 310.869 3.000 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCN(CCC(F)(F)F)CC1)C1CC1 ZINC000453401724 298090403 /nfs/dbraw/zinc/09/04/03/298090403.db2.gz NAJKYTPNOFRPDV-UHFFFAOYSA-N 2 1 321.431 2.867 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000453418524 298092735 /nfs/dbraw/zinc/09/27/35/298092735.db2.gz YHJYMQGJNALVNE-JXFKEZNVSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1C ZINC000453455218 298097304 /nfs/dbraw/zinc/09/73/04/298097304.db2.gz UNANXVPYBQBFOW-IYWMVGAKSA-N 2 1 316.489 2.669 20 0 DFADMP Cc1cc(C)c(NC(=O)N2CC[N@H+]3CCCC[C@@H]3C2)c(C)n1 ZINC000455489746 298369191 /nfs/dbraw/zinc/36/91/91/298369191.db2.gz WDFJUPCIQJPVAY-OAHLLOKOSA-N 2 1 302.422 2.709 20 0 DFADMP Cc1cc(C)c(NC(=O)N2CCN3CCCC[C@@H]3C2)c(C)n1 ZINC000455489746 298369194 /nfs/dbraw/zinc/36/91/94/298369194.db2.gz WDFJUPCIQJPVAY-OAHLLOKOSA-N 2 1 302.422 2.709 20 0 DFADMP Cc1[nH+]ccn1CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000457887584 298820732 /nfs/dbraw/zinc/82/07/32/298820732.db2.gz WQGBHLGKQBYCTI-UHFFFAOYSA-N 2 1 320.481 2.551 20 0 DFADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000496882672 300127851 /nfs/dbraw/zinc/12/78/51/300127851.db2.gz JXUQYWDGSGYWAK-CQSZACIVSA-N 2 1 317.433 2.636 20 0 DFADMP CCC[N@H+](CC)CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497008080 300146543 /nfs/dbraw/zinc/14/65/43/300146543.db2.gz NFAOGASASWWZKU-AWEZNQCLSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000497008080 300146545 /nfs/dbraw/zinc/14/65/45/300146545.db2.gz NFAOGASASWWZKU-AWEZNQCLSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000497123573 300165176 /nfs/dbraw/zinc/16/51/76/300165176.db2.gz CLFADHXBOSVXCM-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000497157763 300170444 /nfs/dbraw/zinc/17/04/44/300170444.db2.gz DNXRTLZBULUUBK-ZNMIVQPWSA-N 2 1 313.486 2.610 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]CC2(C)COC2)C[N@H+]1Cc1ccccc1 ZINC000512044624 300252183 /nfs/dbraw/zinc/25/21/83/300252183.db2.gz GYVMOZYXUAAMGE-FUHWJXTLSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[C@@H](CO)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000514628264 300263261 /nfs/dbraw/zinc/26/32/61/300263261.db2.gz MBNCBDHLOYICGO-GOSISDBHSA-N 2 1 306.494 2.999 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000514938140 300280782 /nfs/dbraw/zinc/28/07/82/300280782.db2.gz BUAKNGMWLNMHAI-HDICACEKSA-N 2 1 317.477 2.662 20 0 DFADMP CCc1cccc(F)c1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000515018821 300284809 /nfs/dbraw/zinc/28/48/09/300284809.db2.gz KEXSOWVHDUTUOW-UHFFFAOYSA-N 2 1 309.473 2.703 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515062655 300288286 /nfs/dbraw/zinc/28/82/86/300288286.db2.gz KGEPKMCCISGBSM-WBVHZDCISA-N 2 1 309.498 2.522 20 0 DFADMP COc1cc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000516751736 300358443 /nfs/dbraw/zinc/35/84/43/300358443.db2.gz XSPUOXZWIUCODG-LBPRGKRZSA-N 2 1 314.376 2.728 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cc(F)cc(Cl)c1)CC[NH+](C)C ZINC000516817003 300361920 /nfs/dbraw/zinc/36/19/20/300361920.db2.gz YAXGQIZRWOFWAR-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000516861229 300364163 /nfs/dbraw/zinc/36/41/63/300364163.db2.gz BBDMMURNQROVJE-XJKSGUPXSA-N 2 1 307.413 2.665 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000516970442 300374089 /nfs/dbraw/zinc/37/40/89/300374089.db2.gz NWBVGDYGLJNHIZ-UHFFFAOYSA-N 2 1 312.339 2.876 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)ccc2o1 ZINC000517038201 300379932 /nfs/dbraw/zinc/37/99/32/300379932.db2.gz NSJGOSDTNIAYRV-SMDDNHRTSA-N 2 1 302.374 2.531 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)ccc2o1 ZINC000517038201 300379934 /nfs/dbraw/zinc/37/99/34/300379934.db2.gz NSJGOSDTNIAYRV-SMDDNHRTSA-N 2 1 302.374 2.531 20 0 DFADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000517226265 300388711 /nfs/dbraw/zinc/38/87/11/300388711.db2.gz JYGGPKITHCKEGK-JSGCOSHPSA-N 2 1 306.454 2.892 20 0 DFADMP C[NH2+]C[C@@](C)(O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000518200630 300419391 /nfs/dbraw/zinc/41/93/91/300419391.db2.gz NQFPQNZEBJAAGW-LJQANCHMSA-N 2 1 320.477 2.624 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CCC1 ZINC000525981030 300615725 /nfs/dbraw/zinc/61/57/25/300615725.db2.gz FRWIRGAQALEEKO-ZBFHGGJFSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H](N[C@@H]1CC[NH2+]C12CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000530215204 301029790 /nfs/dbraw/zinc/02/97/90/301029790.db2.gz FCMQZSZNMZSVSD-YTQUADARSA-N 2 1 313.489 2.771 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219374 301031134 /nfs/dbraw/zinc/03/11/34/301031134.db2.gz PIOOZUQXSSYEGT-KDOFPFPSSA-N 2 1 308.429 2.621 20 0 DFADMP C[C@H]([NH2+]Cc1cc(F)c(Br)cc1F)[C@@H]1CC[NH2+]C1 ZINC000530219520 301031191 /nfs/dbraw/zinc/03/11/91/301031191.db2.gz JMZYKQBKNHXBHM-DTWKUNHWSA-N 2 1 319.193 2.815 20 0 DFADMP c1cnn(-c2cccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)c2)c1 ZINC000530287349 301038671 /nfs/dbraw/zinc/03/86/71/301038671.db2.gz ZHDRLKPDUQVOFD-UHFFFAOYSA-N 2 1 310.445 2.979 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000531721026 301106205 /nfs/dbraw/zinc/10/62/05/301106205.db2.gz QCSOCXGVPYKZNF-RBUKOAKNSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000531721026 301106208 /nfs/dbraw/zinc/10/62/08/301106208.db2.gz QCSOCXGVPYKZNF-RBUKOAKNSA-N 2 1 302.462 2.648 20 0 DFADMP COc1cccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1OC ZINC000531955357 301121231 /nfs/dbraw/zinc/12/12/31/301121231.db2.gz OWIWSCRLZBNJNZ-SQWLQELKSA-N 2 1 306.450 2.565 20 0 DFADMP C[C@@H]1CC[N@H+](CCN[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000531983584 301123564 /nfs/dbraw/zinc/12/35/64/301123564.db2.gz WTOIVVGYVRFQBJ-AOIWGVFYSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000531983584 301123567 /nfs/dbraw/zinc/12/35/67/301123567.db2.gz WTOIVVGYVRFQBJ-AOIWGVFYSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000531983584 301123570 /nfs/dbraw/zinc/12/35/70/301123570.db2.gz WTOIVVGYVRFQBJ-AOIWGVFYSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000531983584 301123573 /nfs/dbraw/zinc/12/35/73/301123573.db2.gz WTOIVVGYVRFQBJ-AOIWGVFYSA-N 2 1 301.478 2.581 20 0 DFADMP CCC(CC)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000532091087 301130118 /nfs/dbraw/zinc/13/01/18/301130118.db2.gz SCIGWWGCCKABNC-UHFFFAOYSA-N 2 1 304.438 2.598 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(OC)c2OC)[C@@H](C)C1 ZINC000532210949 301137111 /nfs/dbraw/zinc/13/71/11/301137111.db2.gz KHZHUBXEJNIOBT-HOCLYGCPSA-N 2 1 306.450 2.566 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000532639187 301164700 /nfs/dbraw/zinc/16/47/00/301164700.db2.gz RXUJYHRRCLGQSH-MRXNPFEDSA-N 2 1 310.445 2.917 20 0 DFADMP C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000533606411 301210092 /nfs/dbraw/zinc/21/00/92/301210092.db2.gz GTBOEDOMYNCUTA-GBESFXJTSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCC[N@H+](C[C@@H]2CCCOC2)CC1 ZINC000533606411 301210096 /nfs/dbraw/zinc/21/00/96/301210096.db2.gz GTBOEDOMYNCUTA-GBESFXJTSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCOC2)CC1 ZINC000533606411 301210098 /nfs/dbraw/zinc/21/00/98/301210098.db2.gz GTBOEDOMYNCUTA-GBESFXJTSA-N 2 1 324.509 2.626 20 0 DFADMP c1ccc(COc2cccc(C[NH2+]CCC[NH+]3CCC3)c2)nc1 ZINC000534311334 301227030 /nfs/dbraw/zinc/22/70/30/301227030.db2.gz MQZYZKXHWYVVFG-UHFFFAOYSA-N 2 1 311.429 2.846 20 0 DFADMP CCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000536664474 301286727 /nfs/dbraw/zinc/28/67/27/301286727.db2.gz DLTACTDNTQXYPX-YJBOKZPZSA-N 2 1 321.534 2.768 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@@H]2CC=CCC2)c2cccs2)CC1 ZINC000537179839 301295982 /nfs/dbraw/zinc/29/59/82/301295982.db2.gz IIAJODOGZKDTHN-SJORKVTESA-N 2 1 319.518 2.983 20 0 DFADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cccc(F)c1F ZINC000538454535 301321698 /nfs/dbraw/zinc/32/16/98/301321698.db2.gz XIFAMFAMWROEIM-CQSZACIVSA-N 2 1 311.420 2.643 20 0 DFADMP CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)s1 ZINC000539898597 301353219 /nfs/dbraw/zinc/35/32/19/301353219.db2.gz YBZSPUWJVJZRIC-IAOVAPTHSA-N 2 1 308.491 2.994 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2csnn2)C[N@@H+]1Cc1ccccc1 ZINC000540628269 301366624 /nfs/dbraw/zinc/36/66/24/301366624.db2.gz VTXVLIKIFSFETO-GDBMZVCRSA-N 2 1 316.474 2.928 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2csnn2)C[N@H+]1Cc1ccccc1 ZINC000540628269 301366627 /nfs/dbraw/zinc/36/66/27/301366627.db2.gz VTXVLIKIFSFETO-GDBMZVCRSA-N 2 1 316.474 2.928 20 0 DFADMP CC[N@H+]1CC[C@H](Nc2cccc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000540839561 301370394 /nfs/dbraw/zinc/37/03/94/301370394.db2.gz WEIWJICMRSHRMX-QAPCUYQASA-N 2 1 305.466 2.769 20 0 DFADMP C[N@H+]1CC[C@@H]2CCN(Cc3cnc(-c4ccccc4)nc3)[C@H]2C1 ZINC000540918966 301374807 /nfs/dbraw/zinc/37/48/07/301374807.db2.gz XPDNQAZPORXVRB-AEFFLSMTSA-N 2 1 308.429 2.670 20 0 DFADMP CC(C)(O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120849 302038931 /nfs/dbraw/zinc/03/89/31/302038931.db2.gz IMCLZMGWPHQLIF-KRWDZBQOSA-N 2 1 302.462 2.934 20 0 DFADMP CC(C)(O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120849 302038933 /nfs/dbraw/zinc/03/89/33/302038933.db2.gz IMCLZMGWPHQLIF-KRWDZBQOSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000563351410 302064707 /nfs/dbraw/zinc/06/47/07/302064707.db2.gz YZQYRBPCIIFDJV-RDJZCZTQSA-N 2 1 311.429 2.972 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000563492005 302076826 /nfs/dbraw/zinc/07/68/26/302076826.db2.gz CJOWTQBCWDYXPB-YVSFHVDLSA-N 2 1 309.498 2.581 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000563492005 302076829 /nfs/dbraw/zinc/07/68/29/302076829.db2.gz CJOWTQBCWDYXPB-YVSFHVDLSA-N 2 1 309.498 2.581 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000563492005 302076830 /nfs/dbraw/zinc/07/68/30/302076830.db2.gz CJOWTQBCWDYXPB-YVSFHVDLSA-N 2 1 309.498 2.581 20 0 DFADMP c1ccc(-c2nnc([C@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)[nH]2)cc1 ZINC000563670163 302091758 /nfs/dbraw/zinc/09/17/58/302091758.db2.gz LXRUMGCBGOGBCI-GDBMZVCRSA-N 2 1 311.433 2.608 20 0 DFADMP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Nc1ccc(F)cc1 ZINC000564074204 302116999 /nfs/dbraw/zinc/11/69/99/302116999.db2.gz CPJJEXCEPCHKKB-BRWVUGGUSA-N 2 1 319.424 2.665 20 0 DFADMP CC1CC[NH+](CCCNC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000564268044 302125593 /nfs/dbraw/zinc/12/55/93/302125593.db2.gz BJKVPKRCDMZUCI-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941154 302175888 /nfs/dbraw/zinc/17/58/88/302175888.db2.gz ALTGAYDKZANBQW-ZWKOTPCHSA-N 2 1 317.477 2.800 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961597 302176606 /nfs/dbraw/zinc/17/66/06/302176606.db2.gz ULVYYVHMOACLOO-KBAYOESNSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961597 302176608 /nfs/dbraw/zinc/17/66/08/302176608.db2.gz ULVYYVHMOACLOO-KBAYOESNSA-N 2 1 300.446 2.951 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000565157736 302198579 /nfs/dbraw/zinc/19/85/79/302198579.db2.gz QXVUIGUJISCPPD-IBGZPJMESA-N 2 1 313.445 2.725 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000565157736 302198582 /nfs/dbraw/zinc/19/85/82/302198582.db2.gz QXVUIGUJISCPPD-IBGZPJMESA-N 2 1 313.445 2.725 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000565192962 302205341 /nfs/dbraw/zinc/20/53/41/302205341.db2.gz SBOHYJHGWRWURO-KRWDZBQOSA-N 2 1 323.525 2.689 20 0 DFADMP [NH3+]CCC1CC[NH+]([C@@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000565426987 302224634 /nfs/dbraw/zinc/22/46/34/302224634.db2.gz NIGTXAMORMIEND-MRXNPFEDSA-N 2 1 321.852 2.506 20 0 DFADMP CC[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000565491831 302227782 /nfs/dbraw/zinc/22/77/82/302227782.db2.gz RVHUEYMUXSVCFU-CEXWTWQISA-N 2 1 301.478 2.683 20 0 DFADMP CC[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000565491837 302227804 /nfs/dbraw/zinc/22/78/04/302227804.db2.gz RVHUEYMUXSVCFU-GUDVDZBRSA-N 2 1 301.478 2.683 20 0 DFADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000565540393 302229350 /nfs/dbraw/zinc/22/93/50/302229350.db2.gz TVWADZVJOAWDBT-JKSUJKDBSA-N 2 1 302.462 2.904 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000565949557 302250099 /nfs/dbraw/zinc/25/00/99/302250099.db2.gz ZBWJKQGKSIZONY-OAHLLOKOSA-N 2 1 301.434 2.535 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000566200881 302267527 /nfs/dbraw/zinc/26/75/27/302267527.db2.gz IMOFJFXGLDBUGZ-WMLDXEAASA-N 2 1 303.450 2.585 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000566300325 302276668 /nfs/dbraw/zinc/27/66/68/302276668.db2.gz KEDRGWPWJWIASQ-FRQCXROJSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000566300325 302276671 /nfs/dbraw/zinc/27/66/71/302276671.db2.gz KEDRGWPWJWIASQ-FRQCXROJSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000566300325 302276673 /nfs/dbraw/zinc/27/66/73/302276673.db2.gz KEDRGWPWJWIASQ-FRQCXROJSA-N 2 1 317.477 2.868 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)C1 ZINC000566571391 302296348 /nfs/dbraw/zinc/29/63/48/302296348.db2.gz ACWZFAUDQCVJDZ-MSOLQXFVSA-N 2 1 312.461 2.875 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000566614936 302299192 /nfs/dbraw/zinc/29/91/92/302299192.db2.gz AYZTWFHIKAARQT-HKUYNNGSSA-N 2 1 304.478 2.692 20 0 DFADMP CSC[C@H](O)C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000566733107 302307847 /nfs/dbraw/zinc/30/78/47/302307847.db2.gz MMSCTPQHBJCQJQ-CGTJXYLNSA-N 2 1 322.518 2.601 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1COc2ccccc2O1 ZINC000566860925 302318031 /nfs/dbraw/zinc/31/80/31/302318031.db2.gz HMCGDWJGIRIGNX-GOSISDBHSA-N 2 1 324.424 2.604 20 0 DFADMP CO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000567064079 302333132 /nfs/dbraw/zinc/33/31/32/302333132.db2.gz TWUBXXWEDDIMMR-TVFCKZIOSA-N 2 1 312.498 2.765 20 0 DFADMP CO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000567064079 302333135 /nfs/dbraw/zinc/33/31/35/302333135.db2.gz TWUBXXWEDDIMMR-TVFCKZIOSA-N 2 1 312.498 2.765 20 0 DFADMP CO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OC)C[C@H]2C)[C@H](C)C1 ZINC000567064079 302333138 /nfs/dbraw/zinc/33/31/38/302333138.db2.gz TWUBXXWEDDIMMR-TVFCKZIOSA-N 2 1 312.498 2.765 20 0 DFADMP C[NH+](C)[C@@H](C[NH2+]CCC(=O)Nc1cccnc1)C1CCCCC1 ZINC000567160362 302340333 /nfs/dbraw/zinc/34/03/33/302340333.db2.gz DFIWLWMTRPRAGP-KRWDZBQOSA-N 2 1 318.465 2.510 20 0 DFADMP CC[C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567484163 302363049 /nfs/dbraw/zinc/36/30/49/302363049.db2.gz IMQBUAVADQYUSW-HZPDHXFCSA-N 2 1 323.525 2.734 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(Cc3cnc(-c4ccccc4)nc3)C2)C1 ZINC000567561248 302368071 /nfs/dbraw/zinc/36/80/71/302368071.db2.gz ZIRSUDLRGDJZBN-LJQANCHMSA-N 2 1 308.429 2.671 20 0 DFADMP C[C@@H]1COCC[N@@H+]1C1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000567624305 302374717 /nfs/dbraw/zinc/37/47/17/302374717.db2.gz LJRFFSXYQGFUOL-CCKFTAQKSA-N 2 1 318.436 2.867 20 0 DFADMP C[C@@H]1COCC[N@H+]1C1CCN([C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000567624305 302374719 /nfs/dbraw/zinc/37/47/19/302374719.db2.gz LJRFFSXYQGFUOL-CCKFTAQKSA-N 2 1 318.436 2.867 20 0 DFADMP CCn1c2ccccc2nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000567638049 302375293 /nfs/dbraw/zinc/37/52/93/302375293.db2.gz BCIRNSPYCZMRLI-ZNMIVQPWSA-N 2 1 300.450 2.861 20 0 DFADMP CCn1c2ccccc2nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000567638049 302375296 /nfs/dbraw/zinc/37/52/96/302375296.db2.gz BCIRNSPYCZMRLI-ZNMIVQPWSA-N 2 1 300.450 2.861 20 0 DFADMP Cc1ccc(NC(=O)CC[NH2+]CC(C)(C)[NH+]2CCCCC2)nc1 ZINC000569920617 302545994 /nfs/dbraw/zinc/54/59/94/302545994.db2.gz IURMSYYZXJMFFE-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP [NH3+][C@H]1CC[C@H](C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000570329989 302568262 /nfs/dbraw/zinc/56/82/62/302568262.db2.gz QLKGJFCNZVJREO-STQMWFEESA-N 2 1 322.478 2.585 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000572254314 302652016 /nfs/dbraw/zinc/65/20/16/302652016.db2.gz KZEHGWKEJHFQGT-UHFFFAOYSA-N 2 1 302.397 2.709 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000181450308 316059369 /nfs/dbraw/zinc/05/93/69/316059369.db2.gz LMYFUHGECCZDGI-NVXWUHKLSA-N 2 1 315.461 2.948 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000181450308 316059372 /nfs/dbraw/zinc/05/93/72/316059372.db2.gz LMYFUHGECCZDGI-NVXWUHKLSA-N 2 1 315.461 2.948 20 0 DFADMP CC(C)CO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000181751418 316071070 /nfs/dbraw/zinc/07/10/70/316071070.db2.gz UXLJOFIIYMBWMM-JKSUJKDBSA-N 2 1 312.498 2.527 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1nccn1C ZINC000182807829 316119540 /nfs/dbraw/zinc/11/95/40/316119540.db2.gz HMZGKFKTVAMWDD-OAHLLOKOSA-N 2 1 316.449 2.601 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2ccnn2C)cc1 ZINC000184018002 316157049 /nfs/dbraw/zinc/15/70/49/316157049.db2.gz LDWFDIAVGNSEKL-CQSZACIVSA-N 2 1 309.417 2.808 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2ccnn2)cc1 ZINC000184269891 316163140 /nfs/dbraw/zinc/16/31/40/316163140.db2.gz JYVDJEUMLDKQEV-CQSZACIVSA-N 2 1 310.405 2.513 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000185321980 316186031 /nfs/dbraw/zinc/18/60/31/316186031.db2.gz XAMPAJWHTRDVGC-GDBMZVCRSA-N 2 1 308.441 2.896 20 0 DFADMP C[C@@H]([NH2+]CC(=O)N1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659887 316189887 /nfs/dbraw/zinc/18/98/87/316189887.db2.gz KNVDPOJZSTYWQZ-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]([NH2+]CC(=O)N1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659887 316189889 /nfs/dbraw/zinc/18/98/89/316189889.db2.gz KNVDPOJZSTYWQZ-SJORKVTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686687 316189897 /nfs/dbraw/zinc/18/98/97/316189897.db2.gz WUECUVXKHWAMCQ-MSOLQXFVSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686687 316189900 /nfs/dbraw/zinc/18/99/00/316189900.db2.gz WUECUVXKHWAMCQ-MSOLQXFVSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686687 316189903 /nfs/dbraw/zinc/18/99/03/316189903.db2.gz WUECUVXKHWAMCQ-MSOLQXFVSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683428 316190409 /nfs/dbraw/zinc/19/04/09/316190409.db2.gz UOIVNHOOFXJKDW-JKSUJKDBSA-N 2 1 323.525 2.781 20 0 DFADMP C[C@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683428 316190414 /nfs/dbraw/zinc/19/04/14/316190414.db2.gz UOIVNHOOFXJKDW-JKSUJKDBSA-N 2 1 323.525 2.781 20 0 DFADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)N(C)C ZINC000341884905 316310848 /nfs/dbraw/zinc/31/08/48/316310848.db2.gz ILFJPMSITMIPFP-IDCNUPLLSA-N 2 1 319.493 2.616 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)s1 ZINC000346095986 316318127 /nfs/dbraw/zinc/31/81/27/316318127.db2.gz JSNPLJOLLQEARK-UKRRQHHQSA-N 2 1 323.506 2.603 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C1CC[NH2+]CC1 ZINC000414788394 316657467 /nfs/dbraw/zinc/65/74/67/316657467.db2.gz MHEZGZQMOXODHJ-UHFFFAOYSA-N 2 1 304.825 2.676 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H](C[NH3+])C(C)C)cc1 ZINC000433136961 316879833 /nfs/dbraw/zinc/87/98/33/316879833.db2.gz RNHZYCQTMKPAAW-SUMWQHHRSA-N 2 1 314.433 2.589 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449386310 317035413 /nfs/dbraw/zinc/03/54/13/317035413.db2.gz SXUXZZXXACUHJY-IRXDYDNUSA-N 2 1 311.514 2.734 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@@H]1C ZINC000449559525 317044855 /nfs/dbraw/zinc/04/48/55/317044855.db2.gz BWVAMNZSKYVHCC-JVVAOCTPSA-N 2 1 308.466 2.569 20 0 DFADMP Cc1ccnc(N2CCN(C[C@@H]3CCCC[N@@H+]3C(C)C)CC2)c1 ZINC000450503159 317100815 /nfs/dbraw/zinc/10/08/15/317100815.db2.gz RGBNOWXAJFGGND-SFHVURJKSA-N 2 1 316.493 2.775 20 0 DFADMP O[C@]1(C[NH2+][C@H](C2CC2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000453138737 317163945 /nfs/dbraw/zinc/16/39/45/317163945.db2.gz YPOQGUJJIVHOQF-PMACEKPBSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@H](C2CC2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000453138737 317163948 /nfs/dbraw/zinc/16/39/48/317163948.db2.gz YPOQGUJJIVHOQF-PMACEKPBSA-N 2 1 314.473 2.792 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)[C@@H](C)C1 ZINC000453290005 317176484 /nfs/dbraw/zinc/17/64/84/317176484.db2.gz ABUCZYRDZOCVHL-YESZJQIVSA-N 2 1 300.487 2.528 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(-n2ccnn2)c1 ZINC000453351945 317178902 /nfs/dbraw/zinc/17/89/02/317178902.db2.gz MVONPOOWLHIBQV-HZTRTUMWSA-N 2 1 311.433 2.543 20 0 DFADMP COc1cc2c(c(C[NH2+]CCCC[N@@H+](C)C3CC3)c1)O[C@H](C)C2 ZINC000453591570 317191913 /nfs/dbraw/zinc/19/19/13/317191913.db2.gz CSBSUJPKYZVFRC-CQSZACIVSA-N 2 1 318.461 2.983 20 0 DFADMP COc1cc(C)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000453594958 317193071 /nfs/dbraw/zinc/19/30/71/317193071.db2.gz IVACPFKHYXKREY-UHFFFAOYSA-N 2 1 306.450 2.976 20 0 DFADMP O[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)CCC[C@@H](C(F)(F)F)C1 ZINC000459510841 317327899 /nfs/dbraw/zinc/32/78/99/317327899.db2.gz MEWUHQWTTCRXRM-DOMZBBRYSA-N 2 1 320.399 2.686 20 0 DFADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488357984 317387090 /nfs/dbraw/zinc/38/70/90/317387090.db2.gz QTABLNZPZQVYAP-AEFFLSMTSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@@H]1C[C@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488357984 317387093 /nfs/dbraw/zinc/38/70/93/317387093.db2.gz QTABLNZPZQVYAP-AEFFLSMTSA-N 3 1 307.526 2.771 20 0 DFADMP C[C@@H]1C[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488357984 317387097 /nfs/dbraw/zinc/38/70/97/317387097.db2.gz QTABLNZPZQVYAP-AEFFLSMTSA-N 3 1 307.526 2.771 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488414438 317390905 /nfs/dbraw/zinc/39/09/05/317390905.db2.gz QZVWFGTZOVVUQV-CABCVRRESA-N 2 1 300.512 2.607 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000514738217 317708933 /nfs/dbraw/zinc/70/89/33/317708933.db2.gz WIGFREFOTWGDHK-UHFFFAOYSA-N 2 1 304.425 2.637 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530225386 317777267 /nfs/dbraw/zinc/77/72/67/317777267.db2.gz YYNVPPSRIYROJB-YUMQZZPRSA-N 2 1 307.182 2.943 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000562019439 317900938 /nfs/dbraw/zinc/90/09/38/317900938.db2.gz LYJLAPCPVGDFOT-PMPSAXMXSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000572787440 318003897 /nfs/dbraw/zinc/00/38/97/318003897.db2.gz UHJRHLNEQCHJPS-HZPDHXFCSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000572973746 318009701 /nfs/dbraw/zinc/00/97/01/318009701.db2.gz AMHFMXJUYUJJFA-OAHLLOKOSA-N 2 1 303.450 2.951 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)C(C)(C)C)CC2)CC1 ZINC000573384694 318017369 /nfs/dbraw/zinc/01/73/69/318017369.db2.gz DHSVGYBWTDVVTN-OAHLLOKOSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000575121836 318064868 /nfs/dbraw/zinc/06/48/68/318064868.db2.gz JFEHKLCIMHTQPQ-PBHICJAKSA-N 2 1 303.450 2.587 20 0 DFADMP C[C@@H](O)C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCCCC1 ZINC000576114164 318104573 /nfs/dbraw/zinc/10/45/73/318104573.db2.gz OJSCSOMOAGRLQX-OAHLLOKOSA-N 2 1 302.462 2.848 20 0 DFADMP OCC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000577492042 318196486 /nfs/dbraw/zinc/19/64/86/318196486.db2.gz CCLIDXWQLHZXQW-GOSISDBHSA-N 2 1 314.473 2.936 20 0 DFADMP OCC1(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000577492042 318196488 /nfs/dbraw/zinc/19/64/88/318196488.db2.gz CCLIDXWQLHZXQW-GOSISDBHSA-N 2 1 314.473 2.936 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@@H]2CCC[C@@H]21 ZINC000577530545 318200226 /nfs/dbraw/zinc/20/02/26/318200226.db2.gz KCGHGYAVLQRCMF-QAETUUGQSA-N 2 1 304.409 2.592 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000577602103 318204146 /nfs/dbraw/zinc/20/41/46/318204146.db2.gz SPBMSNFHJPCYDR-SUMWQHHRSA-N 2 1 321.852 2.674 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000577602100 318204159 /nfs/dbraw/zinc/20/41/59/318204159.db2.gz SPBMSNFHJPCYDR-CXAGYDPISA-N 2 1 321.852 2.674 20 0 DFADMP CC[C@H]1C[N@@H+](C)CCN1Cc1nc(C(C)C)n2ccccc12 ZINC000577957174 318228960 /nfs/dbraw/zinc/22/89/60/318228960.db2.gz GUAGOOMFNICOJT-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP CC[C@H]1C[N@H+](C)CCN1Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000577957174 318228962 /nfs/dbraw/zinc/22/89/62/318228962.db2.gz GUAGOOMFNICOJT-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000578006904 318231717 /nfs/dbraw/zinc/23/17/17/318231717.db2.gz WZVGZBFWTMMIDB-QXAKKESOSA-N 2 1 302.462 2.615 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[C@@H]1c1ccccc1)C1CC1 ZINC000578006904 318231719 /nfs/dbraw/zinc/23/17/19/318231719.db2.gz WZVGZBFWTMMIDB-QXAKKESOSA-N 2 1 302.462 2.615 20 0 DFADMP Cc1cccc([C@H](C)[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000578074609 318236180 /nfs/dbraw/zinc/23/61/80/318236180.db2.gz ZVTBZCGPXADFER-INIZCTEOSA-N 2 1 302.462 2.883 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000578140002 318240722 /nfs/dbraw/zinc/24/07/22/318240722.db2.gz VQARRQABNHVJFY-PWSUYJOCSA-N 2 1 313.804 2.619 20 0 DFADMP CCOCC[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000578435961 318260377 /nfs/dbraw/zinc/26/03/77/318260377.db2.gz ZMTBXNRCIQPRHW-VQIMIIECSA-N 2 1 320.477 2.589 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000578451128 318262191 /nfs/dbraw/zinc/26/21/91/318262191.db2.gz WLDDIQDRXCWNNW-HAGHYFMRSA-N 2 1 316.489 2.957 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000578451128 318262193 /nfs/dbraw/zinc/26/21/93/318262193.db2.gz WLDDIQDRXCWNNW-HAGHYFMRSA-N 2 1 316.489 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000578451128 318262194 /nfs/dbraw/zinc/26/21/94/318262194.db2.gz WLDDIQDRXCWNNW-HAGHYFMRSA-N 2 1 316.489 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21 ZINC000578451128 318262196 /nfs/dbraw/zinc/26/21/96/318262196.db2.gz WLDDIQDRXCWNNW-HAGHYFMRSA-N 2 1 316.489 2.957 20 0 DFADMP COc1cc(F)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000578514772 318266368 /nfs/dbraw/zinc/26/63/68/318266368.db2.gz WDIUYNNMDUOVIN-LBPRGKRZSA-N 2 1 321.396 2.774 20 0 DFADMP C[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCCC[C@@H]1C ZINC000578728038 318280940 /nfs/dbraw/zinc/28/09/40/318280940.db2.gz WSTVETUAIOCIJS-UONOGXRCSA-N 2 1 316.449 2.674 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000579392132 318327908 /nfs/dbraw/zinc/32/79/08/318327908.db2.gz XLAWLYKQEXSGJT-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579822499 318356384 /nfs/dbraw/zinc/35/63/84/318356384.db2.gz WOHPTWIYGBCDEL-DFQSSKMNSA-N 2 1 315.505 2.529 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579822499 318356386 /nfs/dbraw/zinc/35/63/86/318356386.db2.gz WOHPTWIYGBCDEL-DFQSSKMNSA-N 3 1 315.505 2.529 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579822499 318356389 /nfs/dbraw/zinc/35/63/89/318356389.db2.gz WOHPTWIYGBCDEL-DFQSSKMNSA-N 3 1 315.505 2.529 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)CC[C@@H]2C)c2ccccn21 ZINC000579845767 318358420 /nfs/dbraw/zinc/35/84/20/318358420.db2.gz FMUNWLHLCGECBT-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)CC[C@@H]2C)c2ccccn21 ZINC000579845767 318358422 /nfs/dbraw/zinc/35/84/22/318358422.db2.gz FMUNWLHLCGECBT-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000579944622 318364805 /nfs/dbraw/zinc/36/48/05/318364805.db2.gz IBDQJGWVWDZGMS-RKVPGOIHSA-N 2 1 310.445 2.949 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000580211829 318384455 /nfs/dbraw/zinc/38/44/55/318384455.db2.gz LUSUROLNNAFCEF-OALUTQOASA-N 2 1 304.478 2.743 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000580211829 318384457 /nfs/dbraw/zinc/38/44/57/318384457.db2.gz LUSUROLNNAFCEF-OALUTQOASA-N 2 1 304.478 2.743 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000580211829 318384460 /nfs/dbraw/zinc/38/44/60/318384460.db2.gz LUSUROLNNAFCEF-OALUTQOASA-N 2 1 304.478 2.743 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000580211831 318384583 /nfs/dbraw/zinc/38/45/83/318384583.db2.gz LUSUROLNNAFCEF-RTBURBONSA-N 2 1 304.478 2.743 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000580211831 318384585 /nfs/dbraw/zinc/38/45/85/318384585.db2.gz LUSUROLNNAFCEF-RTBURBONSA-N 2 1 304.478 2.743 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000580211831 318384587 /nfs/dbraw/zinc/38/45/87/318384587.db2.gz LUSUROLNNAFCEF-RTBURBONSA-N 2 1 304.478 2.743 20 0 DFADMP CCc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000188990577 323221273 /nfs/dbraw/zinc/22/12/73/323221273.db2.gz BNIKNNUWCVZNJA-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP Cn1c2ccc(C[NH2+]CCC[NH+]3CCCCC3)cc2sc1=O ZINC000192454491 323241945 /nfs/dbraw/zinc/24/19/45/323241945.db2.gz STHQJXUYSDHTSW-UHFFFAOYSA-N 2 1 319.474 2.566 20 0 DFADMP Cn1c2ccc(C[NH2+][C@@H]3CCC[C@H]([NH+](C)C)C3)cc2sc1=O ZINC000192604180 323244903 /nfs/dbraw/zinc/24/49/03/323244903.db2.gz UOSVFRFPLYVRQS-KGLIPLIRSA-N 2 1 319.474 2.562 20 0 DFADMP C[C@H](CCNC(=O)[C@@H]1CCCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379681796 323290827 /nfs/dbraw/zinc/29/08/27/323290827.db2.gz TVHXUZOBLGGXAD-AEFFLSMTSA-N 2 1 317.477 2.545 20 0 DFADMP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870333 323320818 /nfs/dbraw/zinc/32/08/18/323320818.db2.gz KSICQLZDDBXMDB-OTWHNJEPSA-N 2 1 301.478 2.629 20 0 DFADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870333 323320821 /nfs/dbraw/zinc/32/08/21/323320821.db2.gz KSICQLZDDBXMDB-OTWHNJEPSA-N 2 1 301.478 2.629 20 0 DFADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)O[C@@H](C)C2 ZINC000391512678 323346473 /nfs/dbraw/zinc/34/64/73/323346473.db2.gz QOQPXIRWSWIBPZ-PYTWLRIVSA-N 2 1 316.445 2.578 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+](C)C1 ZINC000398200966 323356488 /nfs/dbraw/zinc/35/64/88/323356488.db2.gz PMVXEASPAIHDRF-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[N@H+](C)C1 ZINC000398200966 323356491 /nfs/dbraw/zinc/35/64/91/323356491.db2.gz PMVXEASPAIHDRF-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[N@@H+](C)C1 ZINC000398200966 323356493 /nfs/dbraw/zinc/35/64/93/323356493.db2.gz PMVXEASPAIHDRF-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@]1(CN[C@H]2CCC[C@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000398024896 323356605 /nfs/dbraw/zinc/35/66/05/323356605.db2.gz XRBPPDIDYCPPES-GBESFXJTSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@]1(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000398024896 323356607 /nfs/dbraw/zinc/35/66/07/323356607.db2.gz XRBPPDIDYCPPES-GBESFXJTSA-N 2 1 301.478 2.901 20 0 DFADMP c1c(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)sc2c1CCCC2 ZINC000580432093 323384570 /nfs/dbraw/zinc/38/45/70/323384570.db2.gz VVZPGBNVFWWYKO-GVDBMIGSSA-N 2 1 320.502 2.874 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cncc(Br)c1 ZINC000584480655 337348855 /nfs/dbraw/zinc/34/88/55/337348855.db2.gz JIULAXFXIHCXPH-NSHDSACASA-N 2 1 310.239 2.757 20 0 DFADMP c1cc2c(cc1C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)C[NH2+]CC2 ZINC000584634180 337377614 /nfs/dbraw/zinc/37/76/14/337377614.db2.gz BMPWWNHWUHDDQP-SFHVURJKSA-N 3 1 313.489 2.640 20 0 DFADMP c1cc2c(cc1C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)C[NH2+]CC2 ZINC000584634180 337377615 /nfs/dbraw/zinc/37/76/15/337377615.db2.gz BMPWWNHWUHDDQP-SFHVURJKSA-N 3 1 313.489 2.640 20 0 DFADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000428900779 500884314 /nfs/dbraw/zinc/88/43/14/500884314.db2.gz ZXDASVGGDIMFJQ-MLGOLLRUSA-N 2 1 323.868 2.529 20 0 DFADMP COc1cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000316674379 533786246 /nfs/dbraw/zinc/78/62/46/533786246.db2.gz VZFXWFLXVIOVPU-AWEZNQCLSA-N 2 1 310.438 2.518 20 0 DFADMP COc1cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000316674379 533786252 /nfs/dbraw/zinc/78/62/52/533786252.db2.gz VZFXWFLXVIOVPU-AWEZNQCLSA-N 2 1 310.438 2.518 20 0 DFADMP C[C@H]([NH2+]CCC(C)(C)CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294736410 533840375 /nfs/dbraw/zinc/84/03/75/533840375.db2.gz GTAZPDPNQLCMIB-FUHWJXTLSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000364175955 519574087 /nfs/dbraw/zinc/57/40/87/519574087.db2.gz JVMSYIFAPAEOOS-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000367603352 519779829 /nfs/dbraw/zinc/77/98/29/519779829.db2.gz ZEYXIWGAJYRQAC-GVDBMIGSSA-N 2 1 303.450 2.831 20 0 DFADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cn1 ZINC000367603353 519779934 /nfs/dbraw/zinc/77/99/34/519779934.db2.gz ZEYXIWGAJYRQAC-ZACQAIPSSA-N 2 1 303.450 2.831 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000367738736 520608615 /nfs/dbraw/zinc/60/86/15/520608615.db2.gz UOZGAPKLPUJTBU-HOTGVXAUSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000367738736 520608619 /nfs/dbraw/zinc/60/86/19/520608619.db2.gz UOZGAPKLPUJTBU-HOTGVXAUSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000367738736 520608625 /nfs/dbraw/zinc/60/86/25/520608625.db2.gz UOZGAPKLPUJTBU-HOTGVXAUSA-N 2 1 310.482 2.772 20 0 DFADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156643856 521080651 /nfs/dbraw/zinc/08/06/51/521080651.db2.gz LMDZJKXCJFTFBP-PKOBYXMFSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156643856 521080659 /nfs/dbraw/zinc/08/06/59/521080659.db2.gz LMDZJKXCJFTFBP-PKOBYXMFSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156643856 521080669 /nfs/dbraw/zinc/08/06/69/521080669.db2.gz LMDZJKXCJFTFBP-PKOBYXMFSA-N 2 1 318.509 2.612 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000154593782 521211843 /nfs/dbraw/zinc/21/18/43/521211843.db2.gz KRFUZHZGUSBIKM-GUYCJALGSA-N 2 1 314.433 2.875 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000156721947 521706778 /nfs/dbraw/zinc/70/67/78/521706778.db2.gz YOSUTUSVOIKUKG-VSZNYVQBSA-N 2 1 312.498 2.671 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000154333349 521861753 /nfs/dbraw/zinc/86/17/53/521861753.db2.gz XTEHSPRGLUKNEJ-UXHICEINSA-N 2 1 312.457 2.873 20 0 DFADMP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154372815 522616110 /nfs/dbraw/zinc/61/61/10/522616110.db2.gz WNHCRCQKCABGMI-UONOGXRCSA-N 2 1 316.898 2.723 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+]2CCC1CC2 ZINC000368447816 523016567 /nfs/dbraw/zinc/01/65/67/523016567.db2.gz VPYRSMPDGAUICS-UHFFFAOYSA-N 2 1 301.365 2.667 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367614687 523989431 /nfs/dbraw/zinc/98/94/31/523989431.db2.gz IUQWOHRZBXVVSU-FGTMMUONSA-N 2 1 314.477 2.644 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]CCCC[NH+]2CCN(CC)CC2)o1 ZINC000154549866 524045769 /nfs/dbraw/zinc/04/57/69/524045769.db2.gz YVKLBDRRPSZWTH-INIZCTEOSA-N 2 1 307.482 2.910 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131329514 524912059 /nfs/dbraw/zinc/91/20/59/524912059.db2.gz NJOHOVHIOQCVHL-JKIFEVAISA-N 2 1 303.450 2.689 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131329514 524912070 /nfs/dbraw/zinc/91/20/70/524912070.db2.gz NJOHOVHIOQCVHL-JKIFEVAISA-N 2 1 303.450 2.689 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC[N@@H+]1C ZINC000154573862 525435366 /nfs/dbraw/zinc/43/53/66/525435366.db2.gz SFGXVQXPKXXCTG-CRAIPNDOSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC[N@H+]1C ZINC000154573862 525435374 /nfs/dbraw/zinc/43/53/74/525435374.db2.gz SFGXVQXPKXXCTG-CRAIPNDOSA-N 2 1 321.509 2.630 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000365154479 526023107 /nfs/dbraw/zinc/02/31/07/526023107.db2.gz IJABDJTUGCEKMW-DYVFJYSZSA-N 2 1 317.458 2.934 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000365154479 526023116 /nfs/dbraw/zinc/02/31/16/526023116.db2.gz IJABDJTUGCEKMW-DYVFJYSZSA-N 2 1 317.458 2.934 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262029855 526134876 /nfs/dbraw/zinc/13/48/76/526134876.db2.gz BJORTWMFGHTXNC-CABCVRRESA-N 2 1 315.461 2.713 20 0 DFADMP CC(C)O[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000361238703 534912461 /nfs/dbraw/zinc/91/24/61/534912461.db2.gz QPYBFXNLCYVNBW-DLBZAZTESA-N 2 1 324.509 2.813 20 0 DFADMP O=C(NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000338149470 526595454 /nfs/dbraw/zinc/59/54/54/526595454.db2.gz FVNNIWMGOIDHHS-MSOLQXFVSA-N 2 1 321.509 2.537 20 0 DFADMP Brc1c[nH+]ccc1N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293094059 526651729 /nfs/dbraw/zinc/65/17/29/526651729.db2.gz OXGOGZOSKHPUPX-LBPRGKRZSA-N 2 1 310.239 2.766 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NCC[NH2+]C(C)C)cc1F ZINC000365096407 527378102 /nfs/dbraw/zinc/37/81/02/527378102.db2.gz BFQDBNWICWFYAE-CYBMUJFWSA-N 2 1 304.413 2.968 20 0 DFADMP CCC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)C1CC[NH2+]CC1 ZINC000315776413 527893533 /nfs/dbraw/zinc/89/35/33/527893533.db2.gz UUUTXFPGLPLOLK-MRXNPFEDSA-N 2 1 311.514 2.781 20 0 DFADMP CCC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)C1CC[NH2+]CC1 ZINC000315776413 527893536 /nfs/dbraw/zinc/89/35/36/527893536.db2.gz UUUTXFPGLPLOLK-MRXNPFEDSA-N 2 1 311.514 2.781 20 0 DFADMP CC(C)[C@@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309695806 528879319 /nfs/dbraw/zinc/87/93/19/528879319.db2.gz DJRABZYLXKOMDW-WDSOQIARSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000362762727 535220575 /nfs/dbraw/zinc/22/05/75/535220575.db2.gz LUWZFRFWPYMKSH-QGZVFWFLSA-N 2 1 318.465 2.552 20 0 DFADMP CC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)[C@@H]1CCOC1 ZINC000361216289 535803109 /nfs/dbraw/zinc/80/31/09/535803109.db2.gz LSNOLRDNBNRQER-SJLPKXTDSA-N 2 1 324.509 2.815 20 0 DFADMP CC[C@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245917287 536063544 /nfs/dbraw/zinc/06/35/44/536063544.db2.gz LKHAWDIIBVZRGN-RTBURBONSA-N 2 1 301.478 2.850 20 0 DFADMP C[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245714882 536345265 /nfs/dbraw/zinc/34/52/65/536345265.db2.gz NVBLADOBARAGBM-OWZKRDHZSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245714882 536345267 /nfs/dbraw/zinc/34/52/67/536345267.db2.gz NVBLADOBARAGBM-OWZKRDHZSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000245714882 536345269 /nfs/dbraw/zinc/34/52/69/536345269.db2.gz NVBLADOBARAGBM-OWZKRDHZSA-N 2 1 313.489 2.866 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000361762404 536676299 /nfs/dbraw/zinc/67/62/99/536676299.db2.gz CZPOYZLCVJGDPY-HLLBOEOZSA-N 2 1 306.450 2.845 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000361762404 536676304 /nfs/dbraw/zinc/67/63/04/536676304.db2.gz CZPOYZLCVJGDPY-HLLBOEOZSA-N 2 1 306.450 2.845 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCc2ccccn2)cc1 ZINC000680477922 545500265 /nfs/dbraw/zinc/50/02/65/545500265.db2.gz GQIGTWQUQPCMGN-UHFFFAOYSA-N 2 1 313.445 2.697 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2cn(C)nc2-c2cccs2)C1 ZINC000680932755 545566501 /nfs/dbraw/zinc/56/65/01/545566501.db2.gz OFEBECOSFQUCIZ-GXTWGEPZSA-N 2 1 304.463 2.578 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2cn(C)nc2-c2cccs2)C1 ZINC000680932755 545566505 /nfs/dbraw/zinc/56/65/05/545566505.db2.gz OFEBECOSFQUCIZ-GXTWGEPZSA-N 2 1 304.463 2.578 20 0 DFADMP COc1cccc(C[NH2+]CCc2c[nH+]cn2C)c1OC(C)C ZINC000681547270 545669635 /nfs/dbraw/zinc/66/96/35/545669635.db2.gz BPHRAICJVOJMIQ-UHFFFAOYSA-N 2 1 303.406 2.548 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc(F)cc(Cl)c2)CC1 ZINC000681594862 545675775 /nfs/dbraw/zinc/67/57/75/545675775.db2.gz ZRMNDMHILBBTDT-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP COc1cc(C)c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c(C)n1 ZINC000681914810 545750452 /nfs/dbraw/zinc/75/04/52/545750452.db2.gz NNTMXYBWKAJSSE-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c(C)n1 ZINC000681914810 545750457 /nfs/dbraw/zinc/75/04/57/545750457.db2.gz NNTMXYBWKAJSSE-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681927656 545754944 /nfs/dbraw/zinc/75/49/44/545754944.db2.gz LRQCVNNMTUEYGD-BRWVUGGUSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681927656 545754949 /nfs/dbraw/zinc/75/49/49/545754949.db2.gz LRQCVNNMTUEYGD-BRWVUGGUSA-N 2 1 305.466 2.973 20 0 DFADMP Cc1nccc([C@@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000682027805 545778620 /nfs/dbraw/zinc/77/86/20/545778620.db2.gz ITNSEEIFOHKHAT-QGZVFWFLSA-N 2 1 302.466 2.840 20 0 DFADMP Cc1nccc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1 ZINC000682027805 545778627 /nfs/dbraw/zinc/77/86/27/545778627.db2.gz ITNSEEIFOHKHAT-QGZVFWFLSA-N 2 1 302.466 2.840 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000682133155 545802923 /nfs/dbraw/zinc/80/29/23/545802923.db2.gz LQNGWTVKWUWPEP-MAUKXSAKSA-N 2 1 320.452 2.990 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@H]2C)[C@H](C)C1 ZINC000682159052 545808459 /nfs/dbraw/zinc/80/84/59/545808459.db2.gz KZJRFKOKQUJUQV-FXUDXRNXSA-N 2 1 300.512 2.607 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)n1 ZINC000683346142 546015738 /nfs/dbraw/zinc/01/57/38/546015738.db2.gz SEFJJUJALQUQML-HZPDHXFCSA-N 2 1 305.466 2.850 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]CC2(C)CCC2)c2cccs2)CC1 ZINC000683435161 546033187 /nfs/dbraw/zinc/03/31/87/546033187.db2.gz DDLSBQMCUJEUIO-HNNXBMFYSA-N 2 1 307.507 2.816 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cc(-c3ccccc3)n[nH]1)CC2 ZINC000683470596 546038735 /nfs/dbraw/zinc/03/87/35/546038735.db2.gz FDKOOEHYWZICNJ-AWEZNQCLSA-N 2 1 307.401 2.625 20 0 DFADMP Cc1ccc(CN2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1Cl ZINC000683698998 546078463 /nfs/dbraw/zinc/07/84/63/546078463.db2.gz ZKRWBGIKCLHLBB-QGZVFWFLSA-N 2 1 321.896 2.860 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000684112695 546153783 /nfs/dbraw/zinc/15/37/83/546153783.db2.gz XQIYPHKOZVVPLW-TWMKSMIVSA-N 2 1 302.466 2.663 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@H](OC)C3)CCCC2)CC1 ZINC000684379216 546205231 /nfs/dbraw/zinc/20/52/31/546205231.db2.gz CIEHETLGMQNBLV-WMZOPIPTSA-N 2 1 324.509 2.957 20 0 DFADMP CC1=CCC[C@@H](C)[C@@H]1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000685454793 546352806 /nfs/dbraw/zinc/35/28/06/546352806.db2.gz RMALOMYOTVWISF-IEBWSBKVSA-N 2 1 307.526 2.937 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471116 546358465 /nfs/dbraw/zinc/35/84/65/546358465.db2.gz NCIFZMROXMLMNM-JFIYKMOQSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471116 546358468 /nfs/dbraw/zinc/35/84/68/546358468.db2.gz NCIFZMROXMLMNM-JFIYKMOQSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CCOc3ccccc32)C1 ZINC000685471116 546358470 /nfs/dbraw/zinc/35/84/70/546358470.db2.gz NCIFZMROXMLMNM-JFIYKMOQSA-N 2 1 300.446 2.969 20 0 DFADMP COc1cccc(C[N@H+](CC(C)C)C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000685561931 546368515 /nfs/dbraw/zinc/36/85/15/546368515.db2.gz CFNLKAKJJDVPHK-SFHVURJKSA-N 2 1 320.477 2.608 20 0 DFADMP COc1cccc(C[N@@H+](CC(C)C)C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000685561931 546368518 /nfs/dbraw/zinc/36/85/18/546368518.db2.gz CFNLKAKJJDVPHK-SFHVURJKSA-N 2 1 320.477 2.608 20 0 DFADMP COc1cccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000685561931 546368521 /nfs/dbraw/zinc/36/85/21/546368521.db2.gz CFNLKAKJJDVPHK-SFHVURJKSA-N 2 1 320.477 2.608 20 0 DFADMP COc1cccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000685561931 546368523 /nfs/dbraw/zinc/36/85/23/546368523.db2.gz CFNLKAKJJDVPHK-SFHVURJKSA-N 2 1 320.477 2.608 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360928936 282085408 /nfs/dbraw/zinc/08/54/08/282085408.db2.gz VNGWSVXWUMPIME-GUXCAODWSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360928936 282085410 /nfs/dbraw/zinc/08/54/10/282085410.db2.gz VNGWSVXWUMPIME-GUXCAODWSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360928936 282085412 /nfs/dbraw/zinc/08/54/12/282085412.db2.gz VNGWSVXWUMPIME-GUXCAODWSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360928936 282085414 /nfs/dbraw/zinc/08/54/14/282085414.db2.gz VNGWSVXWUMPIME-GUXCAODWSA-N 2 1 322.456 2.854 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]C[C@H]3CCSC3)c2)CCO1 ZINC000278317109 214086796 /nfs/dbraw/zinc/08/67/96/214086796.db2.gz DOSNRFVXHLRXEZ-CRAIPNDOSA-N 2 1 320.502 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]C[C@H]3CCSC3)c2)CCO1 ZINC000278317109 214086798 /nfs/dbraw/zinc/08/67/98/214086798.db2.gz DOSNRFVXHLRXEZ-CRAIPNDOSA-N 2 1 320.502 2.750 20 0 DFADMP C[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000278624037 214282421 /nfs/dbraw/zinc/28/24/21/214282421.db2.gz GLBOTTQYLKHEDJ-KANFNMMFSA-N 2 1 301.478 2.722 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000278701695 214337192 /nfs/dbraw/zinc/33/71/92/214337192.db2.gz LBKXTSCQJQLSHQ-LBPRGKRZSA-N 2 1 305.378 2.702 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000278736958 214365286 /nfs/dbraw/zinc/36/52/86/214365286.db2.gz MHMFVKQTJZMMNU-ZWKOTPCHSA-N 2 1 320.502 2.620 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000278736958 214365289 /nfs/dbraw/zinc/36/52/89/214365289.db2.gz MHMFVKQTJZMMNU-ZWKOTPCHSA-N 2 1 320.502 2.620 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066124832 398358210 /nfs/dbraw/zinc/35/82/10/398358210.db2.gz NOSBEWQGSRXLIS-MRXNPFEDSA-N 2 1 317.477 2.743 20 0 DFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000081635845 398364553 /nfs/dbraw/zinc/36/45/53/398364553.db2.gz AYHHTOAUABPSJZ-INIZCTEOSA-N 2 1 306.425 2.868 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2ccc(F)cc2)C1 ZINC000081635845 398364557 /nfs/dbraw/zinc/36/45/57/398364557.db2.gz AYHHTOAUABPSJZ-INIZCTEOSA-N 2 1 306.425 2.868 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2)C1 ZINC000081635845 398364561 /nfs/dbraw/zinc/36/45/61/398364561.db2.gz AYHHTOAUABPSJZ-INIZCTEOSA-N 2 1 306.425 2.868 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000081635845 398364564 /nfs/dbraw/zinc/36/45/64/398364564.db2.gz AYHHTOAUABPSJZ-INIZCTEOSA-N 2 1 306.425 2.868 20 0 DFADMP CCOc1cc(CNC[C@@H]2CCC[N@@H+]2C)cc(Cl)c1OC ZINC000236945096 398365606 /nfs/dbraw/zinc/36/56/06/398365606.db2.gz YTDJHEAFEVWRMA-ZDUSSCGKSA-N 2 1 312.841 2.931 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000236910301 398365777 /nfs/dbraw/zinc/36/57/77/398365777.db2.gz APZMSZLZHSIRBW-QZTJIDSGSA-N 2 1 317.477 2.847 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)C(F)F ZINC000294933565 529584667 /nfs/dbraw/zinc/58/46/67/529584667.db2.gz BSKFNSSBNQIJPP-HOTGVXAUSA-N 2 1 312.404 2.645 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000278209128 214025085 /nfs/dbraw/zinc/02/50/85/214025085.db2.gz HLBQLOWEOZLCJH-MAUKXSAKSA-N 2 1 317.477 2.789 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000090546873 185302133 /nfs/dbraw/zinc/30/21/33/185302133.db2.gz WTQIKMJCNIERQE-IJEWVQPXSA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000090546873 185302134 /nfs/dbraw/zinc/30/21/34/185302134.db2.gz WTQIKMJCNIERQE-IJEWVQPXSA-N 2 1 304.434 2.666 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@@H]1SC ZINC000459374784 299090946 /nfs/dbraw/zinc/09/09/46/299090946.db2.gz MFSCVUUAZBHWEM-TWMKSMIVSA-N 2 1 314.539 2.997 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459378852 299091477 /nfs/dbraw/zinc/09/14/77/299091477.db2.gz ROKGKQAJAZYRAR-HNNXBMFYSA-N 2 1 302.466 2.956 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNCc2cn3cccnc3n2)c1 ZINC000459385749 299092752 /nfs/dbraw/zinc/09/27/52/299092752.db2.gz AJIVQBSBQMWWOJ-UHFFFAOYSA-N 2 1 323.444 2.859 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cn3cccnc3n2)c1 ZINC000459385749 299092755 /nfs/dbraw/zinc/09/27/55/299092755.db2.gz AJIVQBSBQMWWOJ-UHFFFAOYSA-N 2 1 323.444 2.859 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cn3cccnc3n2)c1 ZINC000459385749 299092756 /nfs/dbraw/zinc/09/27/56/299092756.db2.gz AJIVQBSBQMWWOJ-UHFFFAOYSA-N 2 1 323.444 2.859 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092739766 185337886 /nfs/dbraw/zinc/33/78/86/185337886.db2.gz RQYJVYBRSQEGGZ-GXTWGEPZSA-N 2 1 311.495 2.633 20 0 DFADMP CCOC(=O)CC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820953 185343981 /nfs/dbraw/zinc/34/39/81/185343981.db2.gz MFGINHDZFPQMOV-UHFFFAOYSA-N 2 1 319.449 2.573 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000459400685 299096915 /nfs/dbraw/zinc/09/69/15/299096915.db2.gz WKJWNFMHOPDMTM-CYBMUJFWSA-N 2 1 303.406 2.721 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000181470280 199302208 /nfs/dbraw/zinc/30/22/08/199302208.db2.gz SBHKUKJOQGFYPG-NVXWUHKLSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000181470280 199302209 /nfs/dbraw/zinc/30/22/09/199302209.db2.gz SBHKUKJOQGFYPG-NVXWUHKLSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)OCc2ccccc2)CC[NH+]1C ZINC000181470280 199302211 /nfs/dbraw/zinc/30/22/11/199302211.db2.gz SBHKUKJOQGFYPG-NVXWUHKLSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)OCc2ccccc2)CC[NH+]1C ZINC000181470280 199302214 /nfs/dbraw/zinc/30/22/14/199302214.db2.gz SBHKUKJOQGFYPG-NVXWUHKLSA-N 2 1 304.434 2.534 20 0 DFADMP CCc1ccc2[nH+]ccc(NC[C@H](C)[NH+]3CCN(C)CC3)c2c1 ZINC000295629324 529731955 /nfs/dbraw/zinc/73/19/55/529731955.db2.gz XHPNWZIUIQIQGK-HNNXBMFYSA-N 2 1 312.461 2.845 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821708 529802386 /nfs/dbraw/zinc/80/23/86/529802386.db2.gz QBEKSSVIFHHANL-QGZVFWFLSA-N 2 1 310.388 2.858 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821708 529802388 /nfs/dbraw/zinc/80/23/88/529802388.db2.gz QBEKSSVIFHHANL-QGZVFWFLSA-N 2 1 310.388 2.858 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821708 529802389 /nfs/dbraw/zinc/80/23/89/529802389.db2.gz QBEKSSVIFHHANL-QGZVFWFLSA-N 2 1 310.388 2.858 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821708 529802390 /nfs/dbraw/zinc/80/23/90/529802390.db2.gz QBEKSSVIFHHANL-QGZVFWFLSA-N 2 1 310.388 2.858 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262602332 398431786 /nfs/dbraw/zinc/43/17/86/398431786.db2.gz ACZUPOUKTQVOAE-SQNIBIBYSA-N 2 1 323.525 2.783 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492192 398433541 /nfs/dbraw/zinc/43/35/41/398433541.db2.gz VMLTUYYFYROJDJ-YCPHGPKFSA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592492192 398433542 /nfs/dbraw/zinc/43/35/42/398433542.db2.gz VMLTUYYFYROJDJ-YCPHGPKFSA-N 2 1 322.474 2.674 20 0 DFADMP Cc1ccn(-c2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000459436225 299105960 /nfs/dbraw/zinc/10/59/60/299105960.db2.gz FPZCIZKFQCQTPW-UHFFFAOYSA-N 2 1 310.445 2.897 20 0 DFADMP CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000585817140 398450255 /nfs/dbraw/zinc/45/02/55/398450255.db2.gz PVXJCSVSUYFBMX-RCCFBDPRSA-N 2 1 322.518 2.743 20 0 DFADMP CCS[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000585817140 398450257 /nfs/dbraw/zinc/45/02/57/398450257.db2.gz PVXJCSVSUYFBMX-RCCFBDPRSA-N 2 1 322.518 2.743 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1SC ZINC000459453752 299110666 /nfs/dbraw/zinc/11/06/66/299110666.db2.gz SZUNEJAOPDICQT-MWDXBVQZSA-N 2 1 314.539 2.853 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cncs1 ZINC000272743155 210147750 /nfs/dbraw/zinc/14/77/50/210147750.db2.gz LJVGOFFNSOIEJK-CZUORRHYSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1cncs1 ZINC000272743155 210147754 /nfs/dbraw/zinc/14/77/54/210147754.db2.gz LJVGOFFNSOIEJK-CZUORRHYSA-N 2 1 317.458 2.561 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCc2cn[nH]c2)CC1)CC1CC1 ZINC000459466450 299113767 /nfs/dbraw/zinc/11/37/67/299113767.db2.gz JPFJDHLGPSYBAN-UHFFFAOYSA-N 2 1 304.482 2.786 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000083455295 192370747 /nfs/dbraw/zinc/37/07/47/192370747.db2.gz KHMQLUMLEPAPRN-OAHLLOKOSA-N 2 1 317.433 2.643 20 0 DFADMP COc1ccnc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000592806962 398487324 /nfs/dbraw/zinc/48/73/24/398487324.db2.gz QEXRHEBZTOVSAA-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708594 398492088 /nfs/dbraw/zinc/49/20/88/398492088.db2.gz RTISBOQCHCKHSX-SOLBZPMBSA-N 2 1 312.461 2.981 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090806935 398492844 /nfs/dbraw/zinc/49/28/44/398492844.db2.gz GYKHDYOKWPZLTJ-IIDMSEBBSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920330 398496571 /nfs/dbraw/zinc/49/65/71/398496571.db2.gz YPFZWLHXZBSCED-SPYBWZPUSA-N 2 1 312.461 2.905 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000090937594 398497257 /nfs/dbraw/zinc/49/72/57/398497257.db2.gz NADKFIYIGNFGCH-PMPSAXMXSA-N 2 1 306.450 2.640 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000090937593 398497418 /nfs/dbraw/zinc/49/74/18/398497418.db2.gz NADKFIYIGNFGCH-OAGGEKHMSA-N 2 1 306.450 2.640 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000090975023 398499067 /nfs/dbraw/zinc/49/90/67/398499067.db2.gz OGWAMJMLIQKHFR-LBDPXKHJSA-N 2 1 310.482 2.817 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000090975023 398499070 /nfs/dbraw/zinc/49/90/70/398499070.db2.gz OGWAMJMLIQKHFR-LBDPXKHJSA-N 2 1 310.482 2.817 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272691511 210097563 /nfs/dbraw/zinc/09/75/63/210097563.db2.gz POABDWRNGIPBCB-VBSBHUPXSA-N 2 1 316.489 2.895 20 0 DFADMP COc1cc(F)cc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000459558262 299133001 /nfs/dbraw/zinc/13/30/01/299133001.db2.gz GDVWELYVIRRICW-CYBMUJFWSA-N 2 1 306.425 2.982 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000314872589 398521957 /nfs/dbraw/zinc/52/19/57/398521957.db2.gz GHAHTZTYENLECH-ZDUSSCGKSA-N 2 1 324.852 2.931 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000314872589 398521962 /nfs/dbraw/zinc/52/19/62/398521962.db2.gz GHAHTZTYENLECH-ZDUSSCGKSA-N 2 1 324.852 2.931 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)ccc1OC(C)C ZINC000068722622 398522743 /nfs/dbraw/zinc/52/27/43/398522743.db2.gz IEKIMXIQIQCUIA-INIZCTEOSA-N 2 1 306.450 2.914 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000316392951 398530994 /nfs/dbraw/zinc/53/09/94/398530994.db2.gz LBRNIHPUEGVLTI-DOTOQJQBSA-N 2 1 303.450 2.814 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CC2([NH+](C)C)CCCCC2)cn1 ZINC000414070771 295763548 /nfs/dbraw/zinc/76/35/48/295763548.db2.gz SMJRZTQMRVAIQB-OAHLLOKOSA-N 2 1 305.466 2.875 20 0 DFADMP CC[NH+](CC)CCCN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000279720665 215091028 /nfs/dbraw/zinc/09/10/28/215091028.db2.gz LQQRUTXNWYEETE-IBGZPJMESA-N 2 1 318.509 2.567 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)CC[C@H]2CCC[NH2+]C2)CC1 ZINC000320859275 398549428 /nfs/dbraw/zinc/54/94/28/398549428.db2.gz QAUGHBGQKKKOGO-QGZVFWFLSA-N 2 1 323.525 2.737 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1Cl ZINC000597059129 398557737 /nfs/dbraw/zinc/55/77/37/398557737.db2.gz FNXOFQYSPANKEV-DGCLKSJQSA-N 2 1 310.825 2.699 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1Cl ZINC000597059129 398557740 /nfs/dbraw/zinc/55/77/40/398557740.db2.gz FNXOFQYSPANKEV-DGCLKSJQSA-N 2 1 310.825 2.699 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cc1F ZINC000597080828 398562280 /nfs/dbraw/zinc/56/22/80/398562280.db2.gz SSJBCQZUORCOEG-AWEZNQCLSA-N 2 1 322.424 2.966 20 0 DFADMP COC(=O)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000597133380 398573363 /nfs/dbraw/zinc/57/33/63/398573363.db2.gz SSWZJALHRJOLJA-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000597133380 398573369 /nfs/dbraw/zinc/57/33/69/398573369.db2.gz SSWZJALHRJOLJA-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000597133380 398573373 /nfs/dbraw/zinc/57/33/73/398573373.db2.gz SSWZJALHRJOLJA-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000597133380 398573377 /nfs/dbraw/zinc/57/33/77/398573377.db2.gz SSWZJALHRJOLJA-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000597133380 398573382 /nfs/dbraw/zinc/57/33/82/398573382.db2.gz SSWZJALHRJOLJA-RHSMWYFYSA-N 2 1 320.408 2.528 20 0 DFADMP C[C@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CC[NH+](C)CC1 ZINC000414355312 295791296 /nfs/dbraw/zinc/79/12/96/295791296.db2.gz YVSFEYWFHFXUME-CYBMUJFWSA-N 2 1 303.425 2.932 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCC2)[C@H]2COC[C@H]21 ZINC000459666495 299159464 /nfs/dbraw/zinc/15/94/64/299159464.db2.gz CFYJHEOMFJLTBG-ZWKOTPCHSA-N 2 1 324.428 2.577 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000590126604 398599475 /nfs/dbraw/zinc/59/94/75/398599475.db2.gz QBFSKWOYEAPHOD-NHCUHLMSSA-N 2 1 324.468 2.969 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000590126604 398599476 /nfs/dbraw/zinc/59/94/76/398599476.db2.gz QBFSKWOYEAPHOD-NHCUHLMSSA-N 2 1 324.468 2.969 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000590126604 398599478 /nfs/dbraw/zinc/59/94/78/398599478.db2.gz QBFSKWOYEAPHOD-NHCUHLMSSA-N 2 1 324.468 2.969 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000590126604 398599480 /nfs/dbraw/zinc/59/94/80/398599480.db2.gz QBFSKWOYEAPHOD-NHCUHLMSSA-N 2 1 324.468 2.969 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000093132994 398620916 /nfs/dbraw/zinc/62/09/16/398620916.db2.gz WECITSAFIPSRJY-XUVXKRRUSA-N 2 1 313.489 2.502 20 0 DFADMP CCOc1ccccc1OCC[N@H+](C)C1CC[NH+](CC)CC1 ZINC000072559139 398621572 /nfs/dbraw/zinc/62/15/72/398621572.db2.gz OLSZQJLNWJITAB-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)C1CC[NH+](CC)CC1 ZINC000072559139 398621575 /nfs/dbraw/zinc/62/15/75/398621575.db2.gz OLSZQJLNWJITAB-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccccc1F ZINC000150751896 186063755 /nfs/dbraw/zinc/06/37/55/186063755.db2.gz KJCJLRZEVHDFDA-HNNXBMFYSA-N 2 1 319.424 2.572 20 0 DFADMP C[C@@H](NCC(C)(C)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152589278 186088245 /nfs/dbraw/zinc/08/82/45/186088245.db2.gz XWFGZLNIMCENOI-OAHLLOKOSA-N 2 1 307.482 2.618 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000072815114 398638915 /nfs/dbraw/zinc/63/89/15/398638915.db2.gz DEXRLRIZFORMBX-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000072815114 398638918 /nfs/dbraw/zinc/63/89/18/398638918.db2.gz DEXRLRIZFORMBX-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000237478891 186295798 /nfs/dbraw/zinc/29/57/98/186295798.db2.gz ZEABPLVSIGIZLD-PBHICJAKSA-N 2 1 301.434 2.609 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000459722803 299172632 /nfs/dbraw/zinc/17/26/32/299172632.db2.gz BZXGBAUXYRTTGO-ZDUSSCGKSA-N 2 1 306.841 2.809 20 0 DFADMP COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000266835005 186353830 /nfs/dbraw/zinc/35/38/30/186353830.db2.gz FKXCZQIKDJWYEW-IMJJTQAJSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1OC ZINC000266835005 186353832 /nfs/dbraw/zinc/35/38/32/186353832.db2.gz FKXCZQIKDJWYEW-IMJJTQAJSA-N 2 1 304.434 2.981 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000459725957 299174152 /nfs/dbraw/zinc/17/41/52/299174152.db2.gz FSSVTXWNSIPOKB-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000459731219 299175201 /nfs/dbraw/zinc/17/52/01/299175201.db2.gz KYDRXYAAOXZZKZ-OAHLLOKOSA-N 2 1 306.450 2.915 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000459731973 299175683 /nfs/dbraw/zinc/17/56/83/299175683.db2.gz LPGHZJAVELFHSM-MRXNPFEDSA-N 2 1 302.466 2.503 20 0 DFADMP C[NH+](C)Cc1cnc(CNCC[NH2+]C2CCCCCC2)s1 ZINC000414814349 295821347 /nfs/dbraw/zinc/82/13/47/295821347.db2.gz RRALHLYHEAIEEH-UHFFFAOYSA-N 2 1 310.511 2.607 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000414814670 295821437 /nfs/dbraw/zinc/82/14/37/295821437.db2.gz ZOAGGPXXPJWECI-HZMBPMFUSA-N 2 1 313.239 2.762 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414829203 295823426 /nfs/dbraw/zinc/82/34/26/295823426.db2.gz NLPUBRUEWRPWMA-LLVKDONJSA-N 2 1 313.239 2.547 20 0 DFADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414848553 295825839 /nfs/dbraw/zinc/82/58/39/295825839.db2.gz PYZWCGIUTCSTSX-CMPLNLGQSA-N 2 1 315.230 2.861 20 0 DFADMP CCc1nn(C)c(Cl)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000172064846 198034166 /nfs/dbraw/zinc/03/41/66/198034166.db2.gz VLHALDZOFQBDCH-LLVKDONJSA-N 2 1 309.845 2.567 20 0 DFADMP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000593610974 398661674 /nfs/dbraw/zinc/66/16/74/398661674.db2.gz GLUGBXPPUVAFLJ-OAHLLOKOSA-N 2 1 310.482 2.986 20 0 DFADMP COc1cccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1OC(C)C ZINC000414896498 295831641 /nfs/dbraw/zinc/83/16/41/295831641.db2.gz CEIJWRSNJYXUQM-SFHVURJKSA-N 2 1 306.450 2.962 20 0 DFADMP COc1sc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000414905238 295833060 /nfs/dbraw/zinc/83/30/60/295833060.db2.gz NKLMFSINKKJOCH-SECBINFHSA-N 2 1 319.268 2.751 20 0 DFADMP COc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(OC(F)F)c1 ZINC000414903342 295832750 /nfs/dbraw/zinc/83/27/50/295832750.db2.gz JRPCBRISHQMAEG-GFCCVEGCSA-N 2 1 300.349 2.528 20 0 DFADMP Cn1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(C2CCCCC2)n1 ZINC000414904400 295832760 /nfs/dbraw/zinc/83/27/60/295832760.db2.gz JYNBVPMSIYVAED-SFHVURJKSA-N 2 1 304.482 2.947 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000414919949 295835165 /nfs/dbraw/zinc/83/51/65/295835165.db2.gz WELUXXAEMXGLNQ-INIZCTEOSA-N 2 1 302.397 2.552 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000414937081 295837453 /nfs/dbraw/zinc/83/74/53/295837453.db2.gz CEPCJWYYIACXGJ-YJBOKZPZSA-N 2 1 311.429 2.748 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000414942465 295838043 /nfs/dbraw/zinc/83/80/43/295838043.db2.gz DNHCKZQGFYNKSQ-PWSUYJOCSA-N 2 1 313.239 2.688 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414941281 295838320 /nfs/dbraw/zinc/83/83/20/295838320.db2.gz LLWUUPRVLNUGSJ-UHFFFAOYSA-N 2 1 313.239 2.689 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414945370 295838598 /nfs/dbraw/zinc/83/85/98/295838598.db2.gz RJGJFEXFWWODFM-KSSFIOAISA-N 2 1 311.429 2.845 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000414947857 295838845 /nfs/dbraw/zinc/83/88/45/295838845.db2.gz XFVUNFKUNJVUQS-MAUKXSAKSA-N 2 1 311.429 2.748 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000414947993 295838856 /nfs/dbraw/zinc/83/88/56/295838856.db2.gz LQKRIDXBEKEKAT-CMPLNLGQSA-N 2 1 300.349 2.527 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3CC[NH+](C)CC3)c2C1 ZINC000073308797 398672919 /nfs/dbraw/zinc/67/29/19/398672919.db2.gz RUYVMRJLNZHKOB-UHFFFAOYSA-N 2 1 301.434 2.693 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)C3CC[NH+](C)CC3)c2C1 ZINC000073308797 398672920 /nfs/dbraw/zinc/67/29/20/398672920.db2.gz RUYVMRJLNZHKOB-UHFFFAOYSA-N 2 1 301.434 2.693 20 0 DFADMP COc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000459777240 299189349 /nfs/dbraw/zinc/18/93/49/299189349.db2.gz KJCXRINAPSIYFB-HNNXBMFYSA-N 2 1 306.450 2.834 20 0 DFADMP [NH3+][C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414992528 295844659 /nfs/dbraw/zinc/84/46/59/295844659.db2.gz BUHUQYTZBBLNJS-MSOLQXFVSA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414992539 295844766 /nfs/dbraw/zinc/84/47/66/295844766.db2.gz BUHUQYTZBBLNJS-ROUUACIJSA-N 3 1 301.478 2.758 20 0 DFADMP CCC[NH+]1CCC(NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000102548584 398678728 /nfs/dbraw/zinc/67/87/28/398678728.db2.gz PVXJJTBPFFQXPM-UHFFFAOYSA-N 2 1 303.494 2.973 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000173363504 198207144 /nfs/dbraw/zinc/20/71/44/198207144.db2.gz VQMRQKXIVSOGQE-VQIMIIECSA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000173363504 198207146 /nfs/dbraw/zinc/20/71/46/198207146.db2.gz VQMRQKXIVSOGQE-VQIMIIECSA-N 2 1 312.461 2.751 20 0 DFADMP c1ccc(COc2ccccc2C[NH2+]CCC[NH2+]C2CC2)nc1 ZINC000415072837 295854761 /nfs/dbraw/zinc/85/47/61/295854761.db2.gz XDGMOMSPHYTUJD-UHFFFAOYSA-N 2 1 311.429 2.892 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000415085451 295856149 /nfs/dbraw/zinc/85/61/49/295856149.db2.gz IFUWAGMUJAJGMI-AGIUHOORSA-N 2 1 310.413 2.882 20 0 DFADMP c1ccc(C[NH+]2CCCCCC2)c(CNC2CC[NH2+]CC2)c1 ZINC000415094739 295857377 /nfs/dbraw/zinc/85/73/77/295857377.db2.gz YARNFBHTYZMZHD-UHFFFAOYSA-N 2 1 301.478 2.904 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(Cl)c(F)c2)CC1 ZINC000105476429 398693771 /nfs/dbraw/zinc/69/37/71/398693771.db2.gz IVMWEBYWNCPOGW-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000415101492 295858173 /nfs/dbraw/zinc/85/81/73/295858173.db2.gz BNPBKCJCVBPIDT-IAGOWNOFSA-N 2 1 310.388 2.683 20 0 DFADMP CCN(Cc1cnn(C)c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174485902 198340482 /nfs/dbraw/zinc/34/04/82/198340482.db2.gz OQRNFLBHOHUUNX-GOSISDBHSA-N 2 1 312.461 2.764 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771398 198382277 /nfs/dbraw/zinc/38/22/77/198382277.db2.gz HUIDGLBZSZIEHC-RHSMWYFYSA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771398 198382279 /nfs/dbraw/zinc/38/22/79/198382279.db2.gz HUIDGLBZSZIEHC-RHSMWYFYSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771398 198382281 /nfs/dbraw/zinc/38/22/81/198382281.db2.gz HUIDGLBZSZIEHC-RHSMWYFYSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771398 198382283 /nfs/dbraw/zinc/38/22/83/198382283.db2.gz HUIDGLBZSZIEHC-RHSMWYFYSA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC000073949164 398711989 /nfs/dbraw/zinc/71/19/89/398711989.db2.gz GOFTUMCIJPOCHD-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP CCOC(=O)C1CCC([N@H+](CC)CCCc2c[nH+]cn2C)CC1 ZINC000593985969 398713972 /nfs/dbraw/zinc/71/39/72/398713972.db2.gz QUPNSISTDIGMIW-UHFFFAOYSA-N 2 1 321.465 2.797 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)CCCc2c[nH+]cn2C)CC1 ZINC000593985969 398713973 /nfs/dbraw/zinc/71/39/73/398713973.db2.gz QUPNSISTDIGMIW-UHFFFAOYSA-N 2 1 321.465 2.797 20 0 DFADMP C[NH+]1CCC([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277060990 213270140 /nfs/dbraw/zinc/27/01/40/213270140.db2.gz HYJDCGSZHGTPBE-MOPGFXCFSA-N 2 1 320.452 2.583 20 0 DFADMP COC1(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)CCOCC1 ZINC000277040659 213256820 /nfs/dbraw/zinc/25/68/20/213256820.db2.gz PCZHQIMNFSUIDJ-UHFFFAOYSA-N 2 1 320.477 2.812 20 0 DFADMP Cn1ncc(Cl)c1C[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000130454578 283049779 /nfs/dbraw/zinc/04/97/79/283049779.db2.gz HSHZFWQRZYLTIN-UHFFFAOYSA-N 2 1 315.808 2.608 20 0 DFADMP CCOC(=O)[C@@H](NCCn1cc[nH+]c1C)C1CCCCCC1 ZINC000594046164 398730337 /nfs/dbraw/zinc/73/03/37/398730337.db2.gz FAZDFDAHKJLFRP-INIZCTEOSA-N 2 1 307.438 2.683 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCc2cnn(C)c2)C1 ZINC000113934393 398742089 /nfs/dbraw/zinc/74/20/89/398742089.db2.gz SNKXFNKLYGGWDK-IEBWSBKVSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCc2cnn(C)c2)C1 ZINC000113934393 398742093 /nfs/dbraw/zinc/74/20/93/398742093.db2.gz SNKXFNKLYGGWDK-IEBWSBKVSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000113934393 398742094 /nfs/dbraw/zinc/74/20/94/398742094.db2.gz SNKXFNKLYGGWDK-IEBWSBKVSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000132066451 283109155 /nfs/dbraw/zinc/10/91/55/283109155.db2.gz TVPFOVOQMBNWCQ-HUUCEWRRSA-N 2 1 322.453 2.508 20 0 DFADMP CC(C)c1cc(N2CC[C@H]([NH+]3CCCCC3)C2)nc(N(C)C)[nH+]1 ZINC000462832382 299231727 /nfs/dbraw/zinc/23/17/27/299231727.db2.gz KYMGLYBMYVWOFJ-HNNXBMFYSA-N 2 1 317.481 2.731 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccccc2C)CC1 ZINC000047978539 398767059 /nfs/dbraw/zinc/76/70/59/398767059.db2.gz HZLBMUBTUXUPJO-UHFFFAOYSA-N 2 1 317.477 2.987 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC(C)C)CC(C)(C)C)CC1 ZINC000134448359 283186957 /nfs/dbraw/zinc/18/69/57/283186957.db2.gz UGDPOVPUNWVGIQ-UHFFFAOYSA-N 2 1 311.514 2.591 20 0 DFADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591741514 398783795 /nfs/dbraw/zinc/78/37/95/398783795.db2.gz QTDDDDCRBAKWAY-OKZBNKHCSA-N 2 1 322.518 2.743 20 0 DFADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591741514 398783798 /nfs/dbraw/zinc/78/37/98/398783798.db2.gz QTDDDDCRBAKWAY-OKZBNKHCSA-N 2 1 322.518 2.743 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236917707 202071252 /nfs/dbraw/zinc/07/12/52/202071252.db2.gz WIUQGLOXSRNGRW-LAQRGFTBSA-N 2 1 317.477 2.529 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000237045322 202134522 /nfs/dbraw/zinc/13/45/22/202134522.db2.gz KGINKHUPNQRKQA-JQHSSLGASA-N 2 1 317.477 2.531 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000126082699 283208197 /nfs/dbraw/zinc/20/81/97/283208197.db2.gz YZJAWRLVFUQBHU-DLBZAZTESA-N 2 1 311.514 2.687 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000237169908 202175051 /nfs/dbraw/zinc/17/50/51/202175051.db2.gz LOHRINWEINEEJY-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CC2 ZINC000179023292 198970613 /nfs/dbraw/zinc/97/06/13/198970613.db2.gz GTKNECLZDDXUDD-KSSFIOAISA-N 2 1 313.445 2.983 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1C)CCC2 ZINC000594493011 398808976 /nfs/dbraw/zinc/80/89/76/398808976.db2.gz CKTCVRPIKGXYOI-KRWDZBQOSA-N 2 1 313.401 2.645 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000594494470 398809041 /nfs/dbraw/zinc/80/90/41/398809041.db2.gz GOAUKYYGCARXBA-RDTXWAMCSA-N 2 1 316.445 2.782 20 0 DFADMP C[C@@H](C[NH+]1CCCCC1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000075802295 398822229 /nfs/dbraw/zinc/82/22/29/398822229.db2.gz LSACZZDGDAZXGD-KRWDZBQOSA-N 2 1 319.493 2.591 20 0 DFADMP C[C@H](C[NH+]1CCCCC1)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000075802296 398822501 /nfs/dbraw/zinc/82/25/01/398822501.db2.gz LSACZZDGDAZXGD-QGZVFWFLSA-N 2 1 319.493 2.591 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)NC(C)(C)CC)CC1 ZINC000052208925 398835905 /nfs/dbraw/zinc/83/59/05/398835905.db2.gz LDZCGNHGYWBNNA-UHFFFAOYSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000276688072 213047800 /nfs/dbraw/zinc/04/78/00/213047800.db2.gz UICUGGZLMUSZQG-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000276688072 213047802 /nfs/dbraw/zinc/04/78/02/213047802.db2.gz UICUGGZLMUSZQG-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550906 199174030 /nfs/dbraw/zinc/17/40/30/199174030.db2.gz XEMVCVMMNQYXOC-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550906 199174032 /nfs/dbraw/zinc/17/40/32/199174032.db2.gz XEMVCVMMNQYXOC-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550906 199174034 /nfs/dbraw/zinc/17/40/34/199174034.db2.gz XEMVCVMMNQYXOC-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550906 199174035 /nfs/dbraw/zinc/17/40/35/199174035.db2.gz XEMVCVMMNQYXOC-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2)C1 ZINC000180550906 199174036 /nfs/dbraw/zinc/17/40/36/199174036.db2.gz XEMVCVMMNQYXOC-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[C@@H]([NH3+])c1ccccc1 ZINC000237395967 202253111 /nfs/dbraw/zinc/25/31/11/202253111.db2.gz XKMGCYIECDJXHE-RYQLBKOJSA-N 2 1 317.477 2.655 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC000594978236 398885736 /nfs/dbraw/zinc/88/57/36/398885736.db2.gz REGGVALTVFSOBV-OVWQWFNUSA-N 2 1 322.493 2.961 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC000594978236 398885739 /nfs/dbraw/zinc/88/57/39/398885739.db2.gz REGGVALTVFSOBV-OVWQWFNUSA-N 2 1 322.493 2.961 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945269 199232327 /nfs/dbraw/zinc/23/23/27/199232327.db2.gz KHAPVDDTXKETCK-HNNXBMFYSA-N 2 1 307.457 2.845 20 0 DFADMP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000180984578 199237216 /nfs/dbraw/zinc/23/72/16/199237216.db2.gz CSDUCQXMWXOGSH-KRWDZBQOSA-N 2 1 300.402 2.526 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]Cc1ccco1 ZINC000180984578 199237218 /nfs/dbraw/zinc/23/72/18/199237218.db2.gz CSDUCQXMWXOGSH-KRWDZBQOSA-N 2 1 300.402 2.526 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000077224362 398890108 /nfs/dbraw/zinc/89/01/08/398890108.db2.gz MZEGPSXQYHTTGS-CVEARBPZSA-N 2 1 317.481 2.633 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000077224362 398890110 /nfs/dbraw/zinc/89/01/10/398890110.db2.gz MZEGPSXQYHTTGS-CVEARBPZSA-N 2 1 317.481 2.633 20 0 DFADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000595024979 398893840 /nfs/dbraw/zinc/89/38/40/398893840.db2.gz IIWABXMDWBENJB-WZYMTQMTSA-N 2 1 310.482 2.959 20 0 DFADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000595024979 398893843 /nfs/dbraw/zinc/89/38/43/398893843.db2.gz IIWABXMDWBENJB-WZYMTQMTSA-N 2 1 310.482 2.959 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCSCC1 ZINC000187101102 299290311 /nfs/dbraw/zinc/29/03/11/299290311.db2.gz FYKVXWGFWMCCDS-XHSDSOJGSA-N 2 1 314.539 2.997 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268934 200085596 /nfs/dbraw/zinc/08/55/96/200085596.db2.gz YJTHXAXCOWRMDH-QAPCUYQASA-N 2 1 318.461 2.678 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268934 200085598 /nfs/dbraw/zinc/08/55/98/200085598.db2.gz YJTHXAXCOWRMDH-QAPCUYQASA-N 2 1 318.461 2.678 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2C(=O)OC)[C@H](C)C1 ZINC000187268934 200085599 /nfs/dbraw/zinc/08/55/99/200085599.db2.gz YJTHXAXCOWRMDH-QAPCUYQASA-N 2 1 318.461 2.678 20 0 DFADMP CSC[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000187808994 200159937 /nfs/dbraw/zinc/15/99/37/200159937.db2.gz HWFLDISAGBYWOK-GOSISDBHSA-N 2 1 322.518 2.554 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000237618944 202307479 /nfs/dbraw/zinc/30/74/79/202307479.db2.gz ACZUPOUKTQVOAE-FGTMMUONSA-N 2 1 323.525 2.783 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417348754 296012586 /nfs/dbraw/zinc/01/25/86/296012586.db2.gz ZDMGXWQSSSAIKU-CWRNSKLLSA-N 2 1 308.491 2.941 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417348818 296012705 /nfs/dbraw/zinc/01/27/05/296012705.db2.gz ZHGWOUHRLDWHRU-CWRNSKLLSA-N 2 1 308.491 2.677 20 0 DFADMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471837067 299309239 /nfs/dbraw/zinc/30/92/39/299309239.db2.gz YTISLVYDBJCKFS-RTBURBONSA-N 2 1 312.461 2.592 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(Cl)c1 ZINC000153748498 398936975 /nfs/dbraw/zinc/93/69/75/398936975.db2.gz CQVDYDXGMVUVRK-CYBMUJFWSA-N 2 1 314.857 2.968 20 0 DFADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000281239592 216176253 /nfs/dbraw/zinc/17/62/53/216176253.db2.gz NDIJJWLCFQTZOB-SJKOYZFVSA-N 2 1 304.409 2.896 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CC1 ZINC000417387002 296015664 /nfs/dbraw/zinc/01/56/64/296015664.db2.gz TVZQSUJLTYIXTM-WMZOPIPTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000417387002 296015665 /nfs/dbraw/zinc/01/56/65/296015665.db2.gz TVZQSUJLTYIXTM-WMZOPIPTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(N(C)C)CC1 ZINC000417387002 296015667 /nfs/dbraw/zinc/01/56/67/296015667.db2.gz TVZQSUJLTYIXTM-WMZOPIPTSA-N 2 1 301.478 2.581 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000471872719 299311662 /nfs/dbraw/zinc/31/16/62/299311662.db2.gz RALMXKHWTURQFE-GBESFXJTSA-N 2 1 302.462 2.695 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC3CCOCC3)C2)[nH+]1 ZINC000292652158 223186569 /nfs/dbraw/zinc/18/65/69/223186569.db2.gz PDGXSRVDPLMTFR-KRWDZBQOSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC3CCOCC3)C2)[nH+]1 ZINC000292652158 223186571 /nfs/dbraw/zinc/18/65/71/223186571.db2.gz PDGXSRVDPLMTFR-KRWDZBQOSA-N 2 1 303.450 2.941 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000193295552 201023479 /nfs/dbraw/zinc/02/34/79/201023479.db2.gz ZQZULLMBFGRZCN-LSDHHAIUSA-N 2 1 303.450 2.984 20 0 DFADMP O[C@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193349141 201036150 /nfs/dbraw/zinc/03/61/50/201036150.db2.gz UVUYSVDQSNTNHD-BGVWBIDGSA-N 2 1 314.473 2.933 20 0 DFADMP Fc1cncc([C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000281471174 216322267 /nfs/dbraw/zinc/32/22/67/216322267.db2.gz FGRHKSJNNFPXSP-SJCJKPOMSA-N 2 1 300.381 2.721 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000292873859 223286564 /nfs/dbraw/zinc/28/65/64/223286564.db2.gz BPSMSIJWLRYQET-IBGZPJMESA-N 2 1 302.462 2.708 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@@](=O)CC)C2)CC1 ZINC000162799632 398984732 /nfs/dbraw/zinc/98/47/32/398984732.db2.gz PUWPCLGHCFTVIW-JXXFODFXSA-N 2 1 300.512 2.530 20 0 DFADMP Cc1ccc(C)c(NC(=O)CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000292881415 223290210 /nfs/dbraw/zinc/29/02/10/223290210.db2.gz FACFNJZCZQRYBJ-IBGZPJMESA-N 2 1 315.461 2.660 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194904537 201308707 /nfs/dbraw/zinc/30/87/07/201308707.db2.gz YPMWJLDQCMXVIW-OALUTQOASA-N 2 1 316.445 2.560 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194904537 201308710 /nfs/dbraw/zinc/30/87/10/201308710.db2.gz YPMWJLDQCMXVIW-OALUTQOASA-N 2 1 316.445 2.560 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CNC(=[NH2+])NC2CCCC2)cc1F ZINC000195523167 201398408 /nfs/dbraw/zinc/39/84/08/201398408.db2.gz NTDJQBSUZMXUGE-UHFFFAOYSA-N 2 1 315.396 2.876 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)[C@H](C)C1 ZINC000417801891 296052432 /nfs/dbraw/zinc/05/24/32/296052432.db2.gz ZVMVFFQDVRYBFZ-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)[C@H](C)C1 ZINC000417801891 296052433 /nfs/dbraw/zinc/05/24/33/296052433.db2.gz ZVMVFFQDVRYBFZ-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)[C@H](C)C1 ZINC000417801891 296052436 /nfs/dbraw/zinc/05/24/36/296052436.db2.gz ZVMVFFQDVRYBFZ-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)[C@H](C)C1 ZINC000417801891 296052437 /nfs/dbraw/zinc/05/24/37/296052437.db2.gz ZVMVFFQDVRYBFZ-CRAIPNDOSA-N 2 1 317.477 2.551 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1 ZINC000271842312 209260155 /nfs/dbraw/zinc/26/01/55/209260155.db2.gz GXKCYGIVTOLKJN-MRXNPFEDSA-N 2 1 315.461 2.872 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474934295 299340056 /nfs/dbraw/zinc/34/00/56/299340056.db2.gz YUGBJNJTPTUSMS-OHTBPHCPSA-N 2 1 314.882 2.550 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000474934295 299340058 /nfs/dbraw/zinc/34/00/58/299340058.db2.gz YUGBJNJTPTUSMS-OHTBPHCPSA-N 2 1 314.882 2.550 20 0 DFADMP Brc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275357956 212288571 /nfs/dbraw/zinc/28/85/71/212288571.db2.gz AQLWAUMAKSZVCD-CYBMUJFWSA-N 2 1 320.234 2.998 20 0 DFADMP Brc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275357960 212288365 /nfs/dbraw/zinc/28/83/65/212288365.db2.gz AQLWAUMAKSZVCD-ZDUSSCGKSA-N 2 1 320.234 2.998 20 0 DFADMP CC(C)(CCC[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418129910 296080120 /nfs/dbraw/zinc/08/01/20/296080120.db2.gz FDMBOVLBUGRQLA-INIZCTEOSA-N 2 1 324.513 2.600 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3nccs3)CC2)nc(C)[nH+]1 ZINC000091733831 193098993 /nfs/dbraw/zinc/09/89/93/193098993.db2.gz XGGRZCDLWUVVJH-LBPRGKRZSA-N 2 1 317.462 2.870 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000092043169 193145753 /nfs/dbraw/zinc/14/57/53/193145753.db2.gz ATOXQKVUDXBLKQ-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000092043169 193145755 /nfs/dbraw/zinc/14/57/55/193145755.db2.gz ATOXQKVUDXBLKQ-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000092043169 193145756 /nfs/dbraw/zinc/14/57/56/193145756.db2.gz ATOXQKVUDXBLKQ-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043590 193146410 /nfs/dbraw/zinc/14/64/10/193146410.db2.gz MBGOBTDFQSKVCM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043590 193146411 /nfs/dbraw/zinc/14/64/11/193146411.db2.gz MBGOBTDFQSKVCM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043590 193146412 /nfs/dbraw/zinc/14/64/12/193146412.db2.gz MBGOBTDFQSKVCM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043590 193146413 /nfs/dbraw/zinc/14/64/13/193146413.db2.gz MBGOBTDFQSKVCM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP C[C@@H]([NH3+])[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249107571 202788181 /nfs/dbraw/zinc/78/81/81/202788181.db2.gz VPJFXNZMYINOOU-RBSFLKMASA-N 2 1 303.450 2.840 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271782260 209209693 /nfs/dbraw/zinc/20/96/93/209209693.db2.gz HWWFALPBFHDTIY-MRXNPFEDSA-N 2 1 300.450 2.737 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271782260 209209697 /nfs/dbraw/zinc/20/96/97/209209697.db2.gz HWWFALPBFHDTIY-MRXNPFEDSA-N 2 1 300.450 2.737 20 0 DFADMP COC(=O)[C@@H]1CC[N@H+](CCCn2cc[nH+]c2C)[C@H]2CCCC[C@H]12 ZINC000595735287 399063373 /nfs/dbraw/zinc/06/33/73/399063373.db2.gz WLHQBRBLOBALFC-ZACQAIPSSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCCn2cc[nH+]c2C)[C@H]2CCCC[C@H]12 ZINC000595735287 399063374 /nfs/dbraw/zinc/06/33/74/399063374.db2.gz WLHQBRBLOBALFC-ZACQAIPSSA-N 2 1 319.449 2.635 20 0 DFADMP C[C@@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000290679898 296101545 /nfs/dbraw/zinc/10/15/45/296101545.db2.gz HRXFRWYECGELJL-CIRFHOKZSA-N 2 1 317.477 2.524 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295083767 284019840 /nfs/dbraw/zinc/01/98/40/284019840.db2.gz QRGHAAJNVVGIAL-YSHGAJCASA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc([S@@](C)=O)cc1 ZINC000353648229 299385890 /nfs/dbraw/zinc/38/58/90/299385890.db2.gz UMBFEPGPJGQDNA-AZHKLSAYSA-N 2 1 320.502 2.947 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000480349432 299387751 /nfs/dbraw/zinc/38/77/51/299387751.db2.gz QUEGXKWBQLYIEQ-KRWDZBQOSA-N 2 1 311.514 2.924 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000275155287 212155853 /nfs/dbraw/zinc/15/58/53/212155853.db2.gz YJOUACZWPXBUOR-BVBHFADKSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000275155287 212155857 /nfs/dbraw/zinc/15/58/57/212155857.db2.gz YJOUACZWPXBUOR-BVBHFADKSA-N 2 1 302.462 2.933 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000480826546 299390011 /nfs/dbraw/zinc/39/00/11/299390011.db2.gz KOPGFZBUEQWKOH-HOJAQTOUSA-N 2 1 317.521 2.869 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262095439 203197463 /nfs/dbraw/zinc/19/74/63/203197463.db2.gz BNVRURBJTHKWQY-QAPCUYQASA-N 2 1 305.466 2.531 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H]1COc1cccnc1C ZINC000419396878 296139822 /nfs/dbraw/zinc/13/98/22/296139822.db2.gz WPVJVIXMMXOULK-KRWDZBQOSA-N 2 1 305.466 2.965 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H]1COc1cccnc1C ZINC000419396878 296139825 /nfs/dbraw/zinc/13/98/25/296139825.db2.gz WPVJVIXMMXOULK-KRWDZBQOSA-N 2 1 305.466 2.965 20 0 DFADMP COCC[C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000282282851 216883088 /nfs/dbraw/zinc/88/30/88/216883088.db2.gz RSRATOLPYKHVIZ-IAGOWNOFSA-N 2 1 314.433 2.871 20 0 DFADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCSC3CCCCC3)CC2)C1 ZINC000595862840 399116500 /nfs/dbraw/zinc/11/65/00/399116500.db2.gz HQWCUZJLPAVURA-INIZCTEOSA-N 2 1 312.523 2.583 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](CCSC3CCCCC3)CC2)C1 ZINC000595862840 399116505 /nfs/dbraw/zinc/11/65/05/399116505.db2.gz HQWCUZJLPAVURA-INIZCTEOSA-N 2 1 312.523 2.583 20 0 DFADMP C[N@H+]1CC[C@H](NCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174239 284155141 /nfs/dbraw/zinc/15/51/41/284155141.db2.gz NNKZLGCYNPMEAA-OALUTQOASA-N 2 1 301.478 2.897 20 0 DFADMP CC1CCN(C(=[NH2+])NCCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000060344339 399123501 /nfs/dbraw/zinc/12/35/01/399123501.db2.gz QPHPIANUBVRIPO-UHFFFAOYSA-N 2 1 302.466 2.765 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000093638798 193279469 /nfs/dbraw/zinc/27/94/69/193279469.db2.gz SUNYHVCGZXGDOM-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000093638798 193279470 /nfs/dbraw/zinc/27/94/70/193279470.db2.gz SUNYHVCGZXGDOM-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(OCCOC)c2)[C@H](C)C1 ZINC000093638798 193279472 /nfs/dbraw/zinc/27/94/72/193279472.db2.gz SUNYHVCGZXGDOM-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000093638996 193278841 /nfs/dbraw/zinc/27/88/41/193278841.db2.gz UKMLMIJNJQPCIH-SJLPKXTDSA-N 2 1 316.493 2.844 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000093638996 193278843 /nfs/dbraw/zinc/27/88/43/193278843.db2.gz UKMLMIJNJQPCIH-SJLPKXTDSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000093638996 193278846 /nfs/dbraw/zinc/27/88/46/193278846.db2.gz UKMLMIJNJQPCIH-SJLPKXTDSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000093638996 193278848 /nfs/dbraw/zinc/27/88/48/193278848.db2.gz UKMLMIJNJQPCIH-SJLPKXTDSA-N 2 1 316.493 2.844 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093770387 193304127 /nfs/dbraw/zinc/30/41/27/193304127.db2.gz FEEBJANYNZWGAX-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093770387 193304129 /nfs/dbraw/zinc/30/41/29/193304129.db2.gz FEEBJANYNZWGAX-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093770387 193304130 /nfs/dbraw/zinc/30/41/30/193304130.db2.gz FEEBJANYNZWGAX-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093770387 193304132 /nfs/dbraw/zinc/30/41/32/193304132.db2.gz FEEBJANYNZWGAX-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP CC[C@H](Cn1cncn1)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000340520096 284185837 /nfs/dbraw/zinc/18/58/37/284185837.db2.gz OLXDTUQIUGMZSI-RHSMWYFYSA-N 2 1 324.432 2.902 20 0 DFADMP CCN(C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358506404 284196088 /nfs/dbraw/zinc/19/60/88/284196088.db2.gz JYFLCXGVBXVYRK-MRXNPFEDSA-N 2 1 315.461 2.504 20 0 DFADMP CC(C)CSCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000595907795 399130904 /nfs/dbraw/zinc/13/09/04/399130904.db2.gz YLYBSKKVKIXPHI-INIZCTEOSA-N 2 1 302.528 2.808 20 0 DFADMP CCOC(=O)c1c[nH+]c2c(C)c(C)ccc2c1N1CC[C@H]([NH3+])C1 ZINC000420164602 296160098 /nfs/dbraw/zinc/16/00/98/296160098.db2.gz FSWSISIAKCBHCL-ZDUSSCGKSA-N 2 1 313.401 2.566 20 0 DFADMP C[NH2+]C[C@H](C)CNc1cc[nH+]c2ccc(Br)cc12 ZINC000420214455 296162675 /nfs/dbraw/zinc/16/26/75/296162675.db2.gz VOCYEFFFQKTBKW-JTQLQIEISA-N 2 1 308.223 2.687 20 0 DFADMP [NH3+][C@@H](CNc1cc[nH+]c2ccc(Br)cc12)C1CC1 ZINC000420216191 296162934 /nfs/dbraw/zinc/16/29/34/296162934.db2.gz CFVZNCZWXCTCSE-LBPRGKRZSA-N 2 1 306.207 2.568 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000600117660 399141899 /nfs/dbraw/zinc/14/18/99/399141899.db2.gz MIYAEQHXBQLHRS-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000484836314 299419869 /nfs/dbraw/zinc/41/98/69/299419869.db2.gz NWYZOKZCEOGOBZ-LULLPPNCSA-N 2 1 302.462 2.927 20 0 DFADMP Brc1c[nH+]ccc1N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420268861 296167603 /nfs/dbraw/zinc/16/76/03/296167603.db2.gz XUXZLPPATIJYHD-LBPRGKRZSA-N 2 1 310.239 2.670 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000420282022 296168957 /nfs/dbraw/zinc/16/89/57/296168957.db2.gz AZLBDURJIXWYGE-UHFFFAOYSA-N 2 1 320.387 2.582 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000607338936 399157973 /nfs/dbraw/zinc/15/79/73/399157973.db2.gz WWHFKADCAIYTET-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420295689 296170458 /nfs/dbraw/zinc/17/04/58/296170458.db2.gz VYPUHQJVYIMODJ-NEPJUHHUSA-N 2 1 300.805 2.917 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420294661 296170501 /nfs/dbraw/zinc/17/05/01/296170501.db2.gz UBJZBIGLCBATEX-JYJNAYRXSA-N 2 1 303.450 2.690 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000420294661 296170503 /nfs/dbraw/zinc/17/05/03/296170503.db2.gz UBJZBIGLCBATEX-JYJNAYRXSA-N 2 1 303.450 2.690 20 0 DFADMP c1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)CC2CCOCC2)cc1 ZINC000420294122 296170509 /nfs/dbraw/zinc/17/05/09/296170509.db2.gz APPTYHUELWSEKH-KRWDZBQOSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H](c1cccs1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299495 296171297 /nfs/dbraw/zinc/17/12/97/296171297.db2.gz GQTTWSTUGKVDOP-BPUTZDHNSA-N 2 1 304.459 2.672 20 0 DFADMP C[C@@H](c1cccs1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299495 296171299 /nfs/dbraw/zinc/17/12/99/296171299.db2.gz GQTTWSTUGKVDOP-BPUTZDHNSA-N 2 1 304.459 2.672 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420299309 296171304 /nfs/dbraw/zinc/17/13/04/296171304.db2.gz AQDSDOVICYSALL-OLZOCXBDSA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420299309 296171306 /nfs/dbraw/zinc/17/13/06/296171306.db2.gz AQDSDOVICYSALL-OLZOCXBDSA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420299311 296171326 /nfs/dbraw/zinc/17/13/26/296171326.db2.gz AQDSDOVICYSALL-STQMWFEESA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420299311 296171327 /nfs/dbraw/zinc/17/13/27/296171327.db2.gz AQDSDOVICYSALL-STQMWFEESA-N 2 1 316.401 2.779 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C[C@H](C)O)C2CCCCC2)cc1 ZINC000420300731 296171609 /nfs/dbraw/zinc/17/16/09/296171609.db2.gz KKXVACQTOCZCCO-DOTOQJQBSA-N 2 1 320.477 2.753 20 0 DFADMP Fc1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420303927 296172120 /nfs/dbraw/zinc/17/21/20/296172120.db2.gz NYKQSEBBAYMMMA-YJBOKZPZSA-N 2 1 306.425 2.806 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000420302459 296171793 /nfs/dbraw/zinc/17/17/93/296171793.db2.gz MGRAHFHOYWYZLN-QGZVFWFLSA-N 2 1 318.461 2.630 20 0 DFADMP Cc1ncsc1C[N@H+](CC[C@H]1CCCCO1)C[C@@H]1CC[NH2+]C1 ZINC000420302732 296171940 /nfs/dbraw/zinc/17/19/40/296171940.db2.gz BWBDRKGFLDABMK-HZPDHXFCSA-N 2 1 323.506 2.822 20 0 DFADMP Cc1ncsc1C[N@@H+](CC[C@H]1CCCCO1)C[C@@H]1CC[NH2+]C1 ZINC000420302732 296171941 /nfs/dbraw/zinc/17/19/41/296171941.db2.gz BWBDRKGFLDABMK-HZPDHXFCSA-N 2 1 323.506 2.822 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000420307897 296172935 /nfs/dbraw/zinc/17/29/35/296172935.db2.gz JCUHMGYBUGKNKU-HSALFYBXSA-N 3 1 315.505 2.658 20 0 DFADMP c1ccc(C[N@H+](CC[C@@H]2CCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420305537 296172597 /nfs/dbraw/zinc/17/25/97/296172597.db2.gz GPHWCQYSSNYWEF-ROUUACIJSA-N 2 1 303.450 2.595 20 0 DFADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420306593 296172653 /nfs/dbraw/zinc/17/26/53/296172653.db2.gz QLZJTZWHRNCJFZ-MRXNPFEDSA-N 2 1 303.450 2.563 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)C[C@@H]21 ZINC000420310760 296173528 /nfs/dbraw/zinc/17/35/28/296173528.db2.gz QBTROGJMJIEBSS-CORIIIEPSA-N 2 1 312.816 2.917 20 0 DFADMP C[C@H]([NH3+])CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000420314142 296173749 /nfs/dbraw/zinc/17/37/49/296173749.db2.gz YWOBAORTRVNZCK-ZDUSSCGKSA-N 2 1 315.383 2.560 20 0 DFADMP c1cc(C[N@H+](CC[C@H]2CC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000420309522 296172983 /nfs/dbraw/zinc/17/29/83/296172983.db2.gz LNNUSNOQNHAVGX-WBVHZDCISA-N 3 1 319.518 2.692 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000420319343 296174393 /nfs/dbraw/zinc/17/43/93/296174393.db2.gz PFZLKDKGPZZVNH-WBVHZDCISA-N 2 1 315.417 2.871 20 0 DFADMP CCOC(=O)CC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420316444 296174020 /nfs/dbraw/zinc/17/40/20/296174020.db2.gz SSARTGVVZBKBNS-OAHLLOKOSA-N 2 1 322.474 2.645 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(OC)c(OC)c1 ZINC000420317688 296174264 /nfs/dbraw/zinc/17/42/64/296174264.db2.gz NSYILEOIBSVZIW-HNNXBMFYSA-N 2 1 306.450 2.915 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000420321399 296174970 /nfs/dbraw/zinc/17/49/70/296174970.db2.gz ZZYSQGJVXIISEQ-GJZGRUSLSA-N 2 1 303.450 2.637 20 0 DFADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420325109 296175179 /nfs/dbraw/zinc/17/51/79/296175179.db2.gz IBNWHUWUTVFWJZ-KKUMJFAQSA-N 2 1 306.454 2.795 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323241 296175190 /nfs/dbraw/zinc/17/51/90/296175190.db2.gz FWZJEXQDYJSGED-MCIONIFRSA-N 2 1 306.454 2.750 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2ccnn2C)c1 ZINC000622005111 399165196 /nfs/dbraw/zinc/16/51/96/399165196.db2.gz YSWWPKQCQRGPJP-VQIMIIECSA-N 2 1 310.445 2.709 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@@]3([NH3+])C2)c(-c2ccnn2C)c1 ZINC000622005111 399165198 /nfs/dbraw/zinc/16/51/98/399165198.db2.gz YSWWPKQCQRGPJP-VQIMIIECSA-N 2 1 310.445 2.709 20 0 DFADMP CC1CCC([N@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C2CC2)CC1 ZINC000420326858 296175611 /nfs/dbraw/zinc/17/56/11/296175611.db2.gz XYWVUKUQWCLKLC-YHZLUUAOSA-N 2 1 316.489 2.960 20 0 DFADMP CC1CCC([N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C2CC2)CC1 ZINC000420326858 296175614 /nfs/dbraw/zinc/17/56/14/296175614.db2.gz XYWVUKUQWCLKLC-YHZLUUAOSA-N 2 1 316.489 2.960 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C(F)F)c2)CC12CCOCC2 ZINC000420328751 296176141 /nfs/dbraw/zinc/17/61/41/296176141.db2.gz MYCFGKLWHOFCRD-OAHLLOKOSA-N 2 1 310.388 2.812 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331188 296176491 /nfs/dbraw/zinc/17/64/91/296176491.db2.gz BSXLTWQZAAZNQR-GVDBMIGSSA-N 2 1 315.461 2.644 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[NH2+]C(C)(C)c2nccs2)cc1 ZINC000420328147 296176105 /nfs/dbraw/zinc/17/61/05/296176105.db2.gz ZMBYMGUYSFRAEZ-CYBMUJFWSA-N 2 1 305.447 2.719 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271732100 209165336 /nfs/dbraw/zinc/16/53/36/209165336.db2.gz CJIORXNBICEYGO-SFHVURJKSA-N 2 1 306.425 2.713 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc(Cl)o2)C[C@H](C)O1 ZINC000062252991 399168695 /nfs/dbraw/zinc/16/86/95/399168695.db2.gz SLEGUOJVZJYOKF-BETUJISGSA-N 2 1 300.830 2.912 20 0 DFADMP O=C(C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420344096 296178080 /nfs/dbraw/zinc/17/80/80/296178080.db2.gz SAHICBITKKHZAE-KGLIPLIRSA-N 2 1 321.852 2.600 20 0 DFADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420344096 296178082 /nfs/dbraw/zinc/17/80/82/296178082.db2.gz SAHICBITKKHZAE-KGLIPLIRSA-N 2 1 321.852 2.600 20 0 DFADMP c1csc(-c2noc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420346038 296178145 /nfs/dbraw/zinc/17/81/45/296178145.db2.gz XGMVXJLNJJNMRG-QWHCGFSZSA-N 2 1 318.446 2.620 20 0 DFADMP CCOc1ccccc1OCC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420353743 296178747 /nfs/dbraw/zinc/17/87/47/296178747.db2.gz ARYNHFGRZVDZDJ-INIZCTEOSA-N 2 1 306.450 2.961 20 0 DFADMP COC(=O)[C@H](c1ccccc1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863253 284300388 /nfs/dbraw/zinc/30/03/88/284300388.db2.gz GCXBDPVNNRVKQM-KRWDZBQOSA-N 2 1 316.445 2.709 20 0 DFADMP COC(=O)[C@H](c1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366863253 284300389 /nfs/dbraw/zinc/30/03/89/284300389.db2.gz GCXBDPVNNRVKQM-KRWDZBQOSA-N 2 1 316.445 2.709 20 0 DFADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000282561020 217089642 /nfs/dbraw/zinc/08/96/42/217089642.db2.gz DKIHBZGKENNVJS-CQSZACIVSA-N 2 1 310.869 2.707 20 0 DFADMP CC[C@@H]1Cc2ccccc2C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420365421 296180827 /nfs/dbraw/zinc/18/08/27/296180827.db2.gz SDEUDSYYKHQNJY-HKBOAZHASA-N 2 1 324.468 2.754 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000420364967 296180880 /nfs/dbraw/zinc/18/08/80/296180880.db2.gz RQMZKTJBNWKWKA-HKUYNNGSSA-N 2 1 311.429 2.970 20 0 DFADMP CC1CCC(N(C(=O)C[NH2+][C@@H]2CC[NH2+]CC2(C)C)C2CC2)CC1 ZINC000420368014 296181057 /nfs/dbraw/zinc/18/10/57/296181057.db2.gz TUITZRVLMIPAMT-VMBOVVBDSA-N 2 1 321.509 2.534 20 0 DFADMP CCOc1ccc(OCC[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000420369004 296181528 /nfs/dbraw/zinc/18/15/28/296181528.db2.gz XHETZXVONCWCDK-SFHVURJKSA-N 2 1 306.450 2.961 20 0 DFADMP COC(=O)C1(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000448525453 297340986 /nfs/dbraw/zinc/34/09/86/297340986.db2.gz QUKHSZAZIKXLPZ-INIZCTEOSA-N 2 1 308.466 2.528 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccc(Cl)cc1 ZINC000420368624 296181674 /nfs/dbraw/zinc/18/16/74/296181674.db2.gz NVAPDBNYPBAVSW-BFQNTYOBSA-N 2 1 309.841 2.645 20 0 DFADMP CCOC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282587531 217108639 /nfs/dbraw/zinc/10/86/39/217108639.db2.gz WOXJCUVDJMTIOG-KRWDZBQOSA-N 2 1 318.461 2.830 20 0 DFADMP CCOC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282587531 217108640 /nfs/dbraw/zinc/10/86/40/217108640.db2.gz WOXJCUVDJMTIOG-KRWDZBQOSA-N 2 1 318.461 2.830 20 0 DFADMP COCC[C@@H]1CCCC[N@@H+](C[C@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420375026 296182338 /nfs/dbraw/zinc/18/23/38/296182338.db2.gz ORIPYUIKLRKZKT-WMZOPIPTSA-N 2 1 320.477 2.876 20 0 DFADMP COCC[C@H]1CCCC[N@@H+](C[C@@H](C[NH3+])c2ccc(OC)cc2)C1 ZINC000420375025 296182480 /nfs/dbraw/zinc/18/24/80/296182480.db2.gz ORIPYUIKLRKZKT-SJLPKXTDSA-N 2 1 320.477 2.876 20 0 DFADMP Brc1ccc2c(c1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000420375452 296182630 /nfs/dbraw/zinc/18/26/30/296182630.db2.gz PJNMWDKJEIWNQW-GFCCVEGCSA-N 2 1 309.251 2.807 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420381673 296183457 /nfs/dbraw/zinc/18/34/57/296183457.db2.gz ZDTWMAYVCFTMPP-XUJVJEKNSA-N 2 1 320.462 2.707 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+]3C[C@H](C)[C@H]([NH3+])C3)CCC2)c1 ZINC000420389669 296184795 /nfs/dbraw/zinc/18/47/95/296184795.db2.gz XTVCWPXFTJPOMV-MAUKXSAKSA-N 2 1 318.461 2.661 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3C[C@H](C)[C@H]([NH3+])C3)CCC2)c1 ZINC000420389669 296184797 /nfs/dbraw/zinc/18/47/97/296184797.db2.gz XTVCWPXFTJPOMV-MAUKXSAKSA-N 2 1 318.461 2.661 20 0 DFADMP C[C@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385700 296184361 /nfs/dbraw/zinc/18/43/61/296184361.db2.gz UEKKACCJSIYDRJ-WBMJQRKESA-N 2 1 319.840 2.788 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000342090708 284324566 /nfs/dbraw/zinc/32/45/66/284324566.db2.gz BUADFOVTHXTTRS-MORSLUCNSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000342090708 284324569 /nfs/dbraw/zinc/32/45/69/284324569.db2.gz BUADFOVTHXTTRS-MORSLUCNSA-N 2 1 314.408 2.571 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342090715 284324648 /nfs/dbraw/zinc/32/46/48/284324648.db2.gz BUIFPUKSJUCGIK-MROQNXINSA-N 2 1 318.446 2.918 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342090715 284324649 /nfs/dbraw/zinc/32/46/49/284324649.db2.gz BUIFPUKSJUCGIK-MROQNXINSA-N 2 1 318.446 2.918 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(C)c1OC ZINC000342090608 284324666 /nfs/dbraw/zinc/32/46/66/284324666.db2.gz VZSKQEOTKZTXDR-AWEZNQCLSA-N 2 1 304.434 2.586 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000342090700 284324696 /nfs/dbraw/zinc/32/46/96/284324696.db2.gz BUADFOVTHXTTRS-FSPWUOQZSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)C[C@H]21 ZINC000342090700 284324699 /nfs/dbraw/zinc/32/46/99/284324699.db2.gz BUADFOVTHXTTRS-FSPWUOQZSA-N 2 1 314.408 2.571 20 0 DFADMP CCCc1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000420390263 296184943 /nfs/dbraw/zinc/18/49/43/296184943.db2.gz ZFKLNKYLXPZXKZ-WBVHZDCISA-N 2 1 323.506 2.814 20 0 DFADMP CCCc1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000420390262 296184960 /nfs/dbraw/zinc/18/49/60/296184960.db2.gz ZFKLNKYLXPZXKZ-RDJZCZTQSA-N 2 1 323.506 2.814 20 0 DFADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000282729037 217208216 /nfs/dbraw/zinc/20/82/16/217208216.db2.gz SJRNQLBFBSJBNW-CQSZACIVSA-N 2 1 310.869 2.971 20 0 DFADMP O=C(C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCCC1CCCCC1 ZINC000420403810 296186745 /nfs/dbraw/zinc/18/67/45/296186745.db2.gz RSVIHZWWIWQAEO-ZWKOTPCHSA-N 2 1 321.509 2.537 20 0 DFADMP O=C(C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCCC1CCCCC1 ZINC000420403810 296186747 /nfs/dbraw/zinc/18/67/47/296186747.db2.gz RSVIHZWWIWQAEO-ZWKOTPCHSA-N 2 1 321.509 2.537 20 0 DFADMP O=C(C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCC1CCCCC1 ZINC000420403807 296186761 /nfs/dbraw/zinc/18/67/61/296186761.db2.gz RSVIHZWWIWQAEO-MSOLQXFVSA-N 2 1 321.509 2.537 20 0 DFADMP O=C(C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)NCCC1CCCCC1 ZINC000420403807 296186763 /nfs/dbraw/zinc/18/67/63/296186763.db2.gz RSVIHZWWIWQAEO-MSOLQXFVSA-N 2 1 321.509 2.537 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000607754793 399192918 /nfs/dbraw/zinc/19/29/18/399192918.db2.gz YINKOVKCTPQCHN-LMMKCTJWSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000607754793 399192927 /nfs/dbraw/zinc/19/29/27/399192927.db2.gz YINKOVKCTPQCHN-LMMKCTJWSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000607754793 399192937 /nfs/dbraw/zinc/19/29/37/399192937.db2.gz YINKOVKCTPQCHN-LMMKCTJWSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000607754793 399192944 /nfs/dbraw/zinc/19/29/44/399192944.db2.gz YINKOVKCTPQCHN-LMMKCTJWSA-N 2 1 304.478 2.990 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C(C)(C)C[NH+](C)C)c1ccccc1 ZINC000246144929 284368188 /nfs/dbraw/zinc/36/81/88/284368188.db2.gz GSGQNJZYLMUIHT-NVXWUHKLSA-N 2 1 319.493 2.772 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)n(C)n1 ZINC000342619626 284381194 /nfs/dbraw/zinc/38/11/94/284381194.db2.gz SQSLYOSCBQHTHR-RHSMWYFYSA-N 2 1 304.482 2.861 20 0 DFADMP CO[C@@H](C)C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420904774 296210273 /nfs/dbraw/zinc/21/02/73/296210273.db2.gz CJJCIMAYIKFEIR-KRWDZBQOSA-N 2 1 320.477 2.764 20 0 DFADMP CO[C@@H](C)C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420904774 296210275 /nfs/dbraw/zinc/21/02/75/296210275.db2.gz CJJCIMAYIKFEIR-KRWDZBQOSA-N 2 1 320.477 2.764 20 0 DFADMP C[C@H]1CCSCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924107 296212717 /nfs/dbraw/zinc/21/27/17/296212717.db2.gz RTCGMJYVPGLACB-INIZCTEOSA-N 2 1 320.502 2.846 20 0 DFADMP C[C@H]1CCSCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924107 296212718 /nfs/dbraw/zinc/21/27/18/296212718.db2.gz RTCGMJYVPGLACB-INIZCTEOSA-N 2 1 320.502 2.846 20 0 DFADMP CCCC[N@H+](CCCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420930349 296213854 /nfs/dbraw/zinc/21/38/54/296213854.db2.gz FDQSHTQJTMQOKJ-UHFFFAOYSA-N 2 1 320.477 2.503 20 0 DFADMP CCCC[N@@H+](CCCO)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420930349 296213855 /nfs/dbraw/zinc/21/38/55/296213855.db2.gz FDQSHTQJTMQOKJ-UHFFFAOYSA-N 2 1 320.477 2.503 20 0 DFADMP O[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000420945214 296215988 /nfs/dbraw/zinc/21/59/88/296215988.db2.gz YQKNZYMJJLGZTK-VNTMZGSJSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000420945214 296215989 /nfs/dbraw/zinc/21/59/89/296215989.db2.gz YQKNZYMJJLGZTK-VNTMZGSJSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000420945214 296215991 /nfs/dbraw/zinc/21/59/91/296215991.db2.gz YQKNZYMJJLGZTK-VNTMZGSJSA-N 2 1 314.473 2.744 20 0 DFADMP COC1(C)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420946754 296215903 /nfs/dbraw/zinc/21/59/03/296215903.db2.gz OAXMMEKXFGQQOU-UHFFFAOYSA-N 2 1 318.461 2.520 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)[C@H]1C ZINC000420980615 296220298 /nfs/dbraw/zinc/22/02/98/296220298.db2.gz WZJIXPDCVGTHIS-IKGGRYGDSA-N 2 1 302.462 2.995 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)[C@H]1C ZINC000420980615 296220299 /nfs/dbraw/zinc/22/02/99/296220299.db2.gz WZJIXPDCVGTHIS-IKGGRYGDSA-N 2 1 302.462 2.995 20 0 DFADMP O[C@H]1C[C@@H](C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C1 ZINC000420980362 296220106 /nfs/dbraw/zinc/22/01/06/296220106.db2.gz WPGGOSIZCUMXQW-KDURUIRLSA-N 2 1 314.473 2.745 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622408571 399252113 /nfs/dbraw/zinc/25/21/13/399252113.db2.gz CPNQDGUCZMRFCF-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622408571 399252114 /nfs/dbraw/zinc/25/21/14/399252114.db2.gz CPNQDGUCZMRFCF-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622408571 399252115 /nfs/dbraw/zinc/25/21/15/399252115.db2.gz CPNQDGUCZMRFCF-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP CC/C=C\CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000343540935 284508329 /nfs/dbraw/zinc/50/83/29/284508329.db2.gz XCNBZZLNQKUDLR-SLXDBMQSSA-N 2 1 324.509 2.933 20 0 DFADMP CO[C@]1(C(F)(F)F)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000682038503 545782517 /nfs/dbraw/zinc/78/25/17/545782517.db2.gz FGSPFPAJRHIILI-CYBMUJFWSA-N 2 1 305.344 2.625 20 0 DFADMP CO[C@]1(C(F)(F)F)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000682038503 545782522 /nfs/dbraw/zinc/78/25/22/545782522.db2.gz FGSPFPAJRHIILI-CYBMUJFWSA-N 2 1 305.344 2.625 20 0 DFADMP CC[C@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000622658082 399265682 /nfs/dbraw/zinc/26/56/82/399265682.db2.gz PJAXGBOJILYHGE-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000614779656 399267269 /nfs/dbraw/zinc/26/72/69/399267269.db2.gz AEGFPVPTIHHDAC-QWHCGFSZSA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000614779656 399267273 /nfs/dbraw/zinc/26/72/73/399267273.db2.gz AEGFPVPTIHHDAC-QWHCGFSZSA-N 2 1 317.389 2.518 20 0 DFADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000618987821 399271966 /nfs/dbraw/zinc/27/19/66/399271966.db2.gz UZFPOYNPSAPZFH-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@H+](CCC1OCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000267944838 206354010 /nfs/dbraw/zinc/35/40/10/206354010.db2.gz OYPGVKOFEOQQMK-UHFFFAOYSA-N 2 1 318.461 2.736 20 0 DFADMP C[N@@H+](CCC1OCCCO1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000267944838 206354014 /nfs/dbraw/zinc/35/40/14/206354014.db2.gz OYPGVKOFEOQQMK-UHFFFAOYSA-N 2 1 318.461 2.736 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421328486 296244940 /nfs/dbraw/zinc/24/49/40/296244940.db2.gz SPOPNXBQSUUMJT-LJQANCHMSA-N 2 1 302.462 2.746 20 0 DFADMP COC(=O)c1cc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)o1 ZINC000609133422 399304516 /nfs/dbraw/zinc/30/45/16/399304516.db2.gz BIOGDRCWVVUPEM-UHFFFAOYSA-N 2 1 322.449 2.927 20 0 DFADMP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609317326 399313509 /nfs/dbraw/zinc/31/35/09/399313509.db2.gz UPXNHOKGPUYGHD-JKSUJKDBSA-N 2 1 319.449 2.856 20 0 DFADMP CN(c1ccccc1)c1ccc(C[NH2+]CCc2c[nH+]cn2C)cn1 ZINC000623085978 399324144 /nfs/dbraw/zinc/32/41/44/399324144.db2.gz QIKOEKCNWICMMZ-UHFFFAOYSA-N 2 1 321.428 2.915 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360944711 284685648 /nfs/dbraw/zinc/68/56/48/284685648.db2.gz ABEGQNAJBRTTSU-ULQDDVLXSA-N 2 1 311.514 2.734 20 0 DFADMP CC1(C)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000284411295 218016808 /nfs/dbraw/zinc/01/68/08/218016808.db2.gz QHMWUZNDQHBKDK-ZWKOTPCHSA-N 2 1 302.462 2.922 20 0 DFADMP C[N@@H+]1CCO[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000284855743 218209176 /nfs/dbraw/zinc/20/91/76/218209176.db2.gz DYILBSFMQRTSKK-DLBZAZTESA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CCO[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000284855743 218209178 /nfs/dbraw/zinc/20/91/78/218209178.db2.gz DYILBSFMQRTSKK-DLBZAZTESA-N 2 1 317.820 2.798 20 0 DFADMP CN(C)[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336032 399365645 /nfs/dbraw/zinc/36/56/45/399365645.db2.gz RGROPLDXIMPBSH-SJORKVTESA-N 2 1 307.457 2.891 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)CC1(C)C ZINC000623344514 399367347 /nfs/dbraw/zinc/36/73/47/399367347.db2.gz PUFCLRFIEAOPLE-SFHVURJKSA-N 2 1 312.461 2.894 20 0 DFADMP CCSCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601962734 399369982 /nfs/dbraw/zinc/36/99/82/399369982.db2.gz ACUBYKMUFBTVMS-AEFFLSMTSA-N 2 1 322.518 2.745 20 0 DFADMP CCSCC[C@@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601962734 399369985 /nfs/dbraw/zinc/36/99/85/399369985.db2.gz ACUBYKMUFBTVMS-AEFFLSMTSA-N 2 1 322.518 2.745 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)c2ccccc2F)CC1 ZINC000105876462 194153651 /nfs/dbraw/zinc/15/36/51/194153651.db2.gz ZWTQPSQDOWOIFM-QGZVFWFLSA-N 2 1 317.408 2.547 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000105876774 194154901 /nfs/dbraw/zinc/15/49/01/194154901.db2.gz KPGDCLXVLZHDFD-LJQANCHMSA-N 2 1 313.445 2.582 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC1CC1 ZINC000623360976 399371889 /nfs/dbraw/zinc/37/18/89/399371889.db2.gz ICQIJUGQHVBSLR-CVEARBPZSA-N 2 1 316.445 2.953 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC1CC1 ZINC000623360976 399371892 /nfs/dbraw/zinc/37/18/92/399371892.db2.gz ICQIJUGQHVBSLR-CVEARBPZSA-N 2 1 316.445 2.953 20 0 DFADMP CCc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000285031112 218263687 /nfs/dbraw/zinc/26/36/87/218263687.db2.gz NJSCYSDMMWWTOA-MOPGFXCFSA-N 2 1 311.429 2.707 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCN2CCc3sccc3C2)CC1(C)C ZINC000623372424 399374358 /nfs/dbraw/zinc/37/43/58/399374358.db2.gz ULTZVWCFTAZYJI-OAHLLOKOSA-N 2 1 307.507 2.569 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623371703 399374378 /nfs/dbraw/zinc/37/43/78/399374378.db2.gz ODKQWBABFQUQMB-MRXNPFEDSA-N 2 1 306.450 2.674 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623371703 399374380 /nfs/dbraw/zinc/37/43/80/399374380.db2.gz ODKQWBABFQUQMB-MRXNPFEDSA-N 2 1 306.450 2.674 20 0 DFADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384987 399377001 /nfs/dbraw/zinc/37/70/01/399377001.db2.gz WCCWGZLNTPFJCE-ZDUSSCGKSA-N 2 1 311.420 2.852 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384987 399377004 /nfs/dbraw/zinc/37/70/04/399377004.db2.gz WCCWGZLNTPFJCE-ZDUSSCGKSA-N 2 1 311.420 2.852 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)n1C ZINC000602004041 399380385 /nfs/dbraw/zinc/38/03/85/399380385.db2.gz JQEIHMKLHFPWCM-OAHLLOKOSA-N 2 1 321.465 2.556 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)N(C)c1ccccc1 ZINC000268837783 207003916 /nfs/dbraw/zinc/00/39/16/207003916.db2.gz HERYICSUKBBTOV-OAHLLOKOSA-N 2 1 314.433 2.613 20 0 DFADMP C[NH+](C)C1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422558829 296312254 /nfs/dbraw/zinc/31/22/54/296312254.db2.gz ZUDZIMOILJBJFB-JEVOJNTISA-N 3 1 301.478 2.942 20 0 DFADMP COCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c1 ZINC000422560475 296312790 /nfs/dbraw/zinc/31/27/90/296312790.db2.gz GWSBQAVZTIRJTN-UXLLHSPISA-N 2 1 306.450 2.517 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000268845910 207013812 /nfs/dbraw/zinc/01/38/12/207013812.db2.gz AHSBVDMFGBCSNF-FPAYPSAMSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000268845910 207013813 /nfs/dbraw/zinc/01/38/13/207013813.db2.gz AHSBVDMFGBCSNF-FPAYPSAMSA-N 2 1 302.462 2.912 20 0 DFADMP COCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1 ZINC000422561262 296312778 /nfs/dbraw/zinc/31/27/78/296312778.db2.gz KFVHNBNJYOOCHX-UXLLHSPISA-N 2 1 306.450 2.517 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000422565716 296313401 /nfs/dbraw/zinc/31/34/01/296313401.db2.gz ZUAUNAFIRRWTAU-ZOBUZTSGSA-N 2 1 312.461 2.986 20 0 DFADMP CCC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000268858257 207027101 /nfs/dbraw/zinc/02/71/01/207027101.db2.gz RNVAXRBJDNAPAI-AEFFLSMTSA-N 2 1 306.450 2.583 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1 ZINC000268863411 207032060 /nfs/dbraw/zinc/03/20/60/207032060.db2.gz FBVKUIJGKWZVQN-GUYCJALGSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268869409 207039718 /nfs/dbraw/zinc/03/97/18/207039718.db2.gz IJVIKDQHXIIKFG-SJLPKXTDSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268869409 207039719 /nfs/dbraw/zinc/03/97/19/207039719.db2.gz IJVIKDQHXIIKFG-SJLPKXTDSA-N 2 1 302.462 2.934 20 0 DFADMP CCC[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268874907 207045306 /nfs/dbraw/zinc/04/53/06/207045306.db2.gz KCKDZKZHYDLULI-SFHVURJKSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000268887913 207056847 /nfs/dbraw/zinc/05/68/47/207056847.db2.gz XOEAYZZJSPTGQH-JTDSTZFVSA-N 2 1 312.461 2.733 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc(OC)c1OC ZINC000268879274 207049670 /nfs/dbraw/zinc/04/96/70/207049670.db2.gz FFGUFQNTDIUNGO-CHWSQXEVSA-N 2 1 310.438 2.703 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000268880701 207050263 /nfs/dbraw/zinc/05/02/63/207050263.db2.gz WOTKATQJYDLQDX-FCEWJHQRSA-N 2 1 317.477 2.594 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000268880108 207051934 /nfs/dbraw/zinc/05/19/34/207051934.db2.gz AVTXGMAJRMSZNU-CABCVRRESA-N 2 1 301.434 2.999 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(OC)c3)C2)[C@H](C)C1 ZINC000268880703 207052173 /nfs/dbraw/zinc/05/21/73/207052173.db2.gz WOTKATQJYDLQDX-MDZRGWNJSA-N 2 1 317.477 2.594 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623493627 399400934 /nfs/dbraw/zinc/40/09/34/399400934.db2.gz LWLRJFCVDHNIGW-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493627 399400938 /nfs/dbraw/zinc/40/09/38/399400938.db2.gz LWLRJFCVDHNIGW-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623493627 399400941 /nfs/dbraw/zinc/40/09/41/399400941.db2.gz LWLRJFCVDHNIGW-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493627 399400943 /nfs/dbraw/zinc/40/09/43/399400943.db2.gz LWLRJFCVDHNIGW-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623493627 399400946 /nfs/dbraw/zinc/40/09/46/399400946.db2.gz LWLRJFCVDHNIGW-NZSAHSFTSA-N 2 1 315.505 2.969 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccccc21 ZINC000268904046 207073726 /nfs/dbraw/zinc/07/37/26/207073726.db2.gz LPLVAARMRVVVSL-PKOBYXMFSA-N 2 1 302.462 2.891 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000422637838 296317240 /nfs/dbraw/zinc/31/72/40/296317240.db2.gz PLODLQQBFCBLRN-IJLUTSLNSA-N 2 1 301.356 2.906 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000422637838 296317242 /nfs/dbraw/zinc/31/72/42/296317242.db2.gz PLODLQQBFCBLRN-IJLUTSLNSA-N 2 1 301.356 2.906 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC000623501771 399403482 /nfs/dbraw/zinc/40/34/82/399403482.db2.gz IRASCYGQMPTOQG-CQSZACIVSA-N 2 1 321.431 2.723 20 0 DFADMP CCC[N@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000619900370 399402932 /nfs/dbraw/zinc/40/29/32/399402932.db2.gz ZSZOQRYSBRKCDI-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1OC ZINC000422699136 296318266 /nfs/dbraw/zinc/31/82/66/296318266.db2.gz AESMZOKDUMLLBI-ARFHVFGLSA-N 2 1 304.434 2.714 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCSCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000268930033 207094847 /nfs/dbraw/zinc/09/48/47/207094847.db2.gz ZDSDROSUPKUHPI-WMZOPIPTSA-N 2 1 322.518 2.745 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCSCCCO)CC[N@H+]1Cc1ccccc1 ZINC000268930033 207094852 /nfs/dbraw/zinc/09/48/52/207094852.db2.gz ZDSDROSUPKUHPI-WMZOPIPTSA-N 2 1 322.518 2.745 20 0 DFADMP CCC[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268926815 207093579 /nfs/dbraw/zinc/09/35/79/207093579.db2.gz YCIGYPKYCLKNES-IBGZPJMESA-N 2 1 304.478 2.834 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCSCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000268930029 207095083 /nfs/dbraw/zinc/09/50/83/207095083.db2.gz ZDSDROSUPKUHPI-SJLPKXTDSA-N 2 1 322.518 2.745 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCSCCCO)CC[N@H+]1Cc1ccccc1 ZINC000268930029 207095087 /nfs/dbraw/zinc/09/50/87/207095087.db2.gz ZDSDROSUPKUHPI-SJLPKXTDSA-N 2 1 322.518 2.745 20 0 DFADMP COc1ccccc1[C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000422709301 296319657 /nfs/dbraw/zinc/31/96/57/296319657.db2.gz KIBXIXCPUVAJQN-NUJGCVRESA-N 2 1 319.493 2.938 20 0 DFADMP C[C@@H](NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422711319 296320197 /nfs/dbraw/zinc/32/01/97/296320197.db2.gz GWYQWRAUYRUKIO-SQWLQELKSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@@H](NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422711319 296320198 /nfs/dbraw/zinc/32/01/98/296320198.db2.gz GWYQWRAUYRUKIO-SQWLQELKSA-N 2 1 307.507 2.615 20 0 DFADMP [NH3+]CC1CCC([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000422712637 296320054 /nfs/dbraw/zinc/32/00/54/296320054.db2.gz IQKVINXHMFYPCW-IOJLRTSASA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000422712637 296320055 /nfs/dbraw/zinc/32/00/55/296320055.db2.gz IQKVINXHMFYPCW-IOJLRTSASA-N 2 1 315.505 2.658 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCCC[NH3+])CC2)oc1C ZINC000422715588 296320654 /nfs/dbraw/zinc/32/06/54/296320654.db2.gz SIDXUUFNXABTCV-CQSZACIVSA-N 3 1 322.497 2.611 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])cc1OC1CCCC1 ZINC000422713932 296320680 /nfs/dbraw/zinc/32/06/80/296320680.db2.gz QEIQHGDFHMFFKI-HZPDHXFCSA-N 2 1 304.434 2.986 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(c3ccccc3F)C2)CC1(C)C ZINC000623531162 399410002 /nfs/dbraw/zinc/41/00/02/399410002.db2.gz KXGFPCXENGNOIL-CABCVRRESA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723537 296321599 /nfs/dbraw/zinc/32/15/99/296321599.db2.gz RSPXXKIXEJVWNO-UGSOOPFHSA-N 2 1 323.431 2.517 20 0 DFADMP CC[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422722926 296321770 /nfs/dbraw/zinc/32/17/70/296321770.db2.gz ZCVNHHPOACEFNN-ZCNNSNEGSA-N 2 1 315.505 2.671 20 0 DFADMP CC[C@@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724321 296321853 /nfs/dbraw/zinc/32/18/53/296321853.db2.gz VIHOXBZMMABANP-MOPGFXCFSA-N 2 1 319.468 2.910 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623545044 399413200 /nfs/dbraw/zinc/41/32/00/399413200.db2.gz YMHCTCPEYZTJDK-QZTJIDSGSA-N 2 1 304.478 2.669 20 0 DFADMP OCCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000268959271 207123141 /nfs/dbraw/zinc/12/31/41/207123141.db2.gz FGBNSKYQCUISOZ-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP OCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000268959271 207123145 /nfs/dbraw/zinc/12/31/45/207123145.db2.gz FGBNSKYQCUISOZ-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP OCCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000268959271 207123150 /nfs/dbraw/zinc/12/31/50/207123150.db2.gz FGBNSKYQCUISOZ-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422726810 296322357 /nfs/dbraw/zinc/32/23/57/296322357.db2.gz GACFKIJJESCHMC-APWZRJJASA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000422726811 296322409 /nfs/dbraw/zinc/32/24/09/296322409.db2.gz GACFKIJJESCHMC-LPHOPBHVSA-N 2 1 301.478 2.629 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000422730992 296323204 /nfs/dbraw/zinc/32/32/04/296323204.db2.gz MXXBNXJJFNQNRV-QRQLOZEOSA-N 2 1 303.494 2.799 20 0 DFADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000611036221 399430208 /nfs/dbraw/zinc/43/02/08/399430208.db2.gz FIFILSUULAGNGS-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CC[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000611036221 399430211 /nfs/dbraw/zinc/43/02/11/399430211.db2.gz FIFILSUULAGNGS-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP COCCCOc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656171 399436371 /nfs/dbraw/zinc/43/63/71/399436371.db2.gz OOCGMNQGXQDIAZ-GOSISDBHSA-N 2 1 320.477 2.923 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)s1 ZINC000623655634 399436906 /nfs/dbraw/zinc/43/69/06/399436906.db2.gz ASKVBPYYZRTIKJ-CQSZACIVSA-N 2 1 310.511 2.811 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)s1 ZINC000623655634 399436907 /nfs/dbraw/zinc/43/69/07/399436907.db2.gz ASKVBPYYZRTIKJ-CQSZACIVSA-N 2 1 310.511 2.811 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000623656542 399437412 /nfs/dbraw/zinc/43/74/12/399437412.db2.gz WNKPQWDWXVMHEJ-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000623656542 399437413 /nfs/dbraw/zinc/43/74/13/399437413.db2.gz WNKPQWDWXVMHEJ-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656542 399437414 /nfs/dbraw/zinc/43/74/14/399437414.db2.gz WNKPQWDWXVMHEJ-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656542 399437415 /nfs/dbraw/zinc/43/74/15/399437415.db2.gz WNKPQWDWXVMHEJ-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656542 399437416 /nfs/dbraw/zinc/43/74/16/399437416.db2.gz WNKPQWDWXVMHEJ-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP COCCOc1cccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656322 399437434 /nfs/dbraw/zinc/43/74/34/399437434.db2.gz RZDHWLJQLZUQII-QGZVFWFLSA-N 2 1 306.450 2.533 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000623657693 399438061 /nfs/dbraw/zinc/43/80/61/399438061.db2.gz WRIJIQIPLITXFU-MRXNPFEDSA-N 2 1 312.461 2.909 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000269052885 207202351 /nfs/dbraw/zinc/20/23/51/207202351.db2.gz RNYRHPYISFCNJH-PKOBYXMFSA-N 2 1 324.472 2.994 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000269052885 207202355 /nfs/dbraw/zinc/20/23/55/207202355.db2.gz RNYRHPYISFCNJH-PKOBYXMFSA-N 2 1 324.472 2.994 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000269052884 207203093 /nfs/dbraw/zinc/20/30/93/207203093.db2.gz RNYRHPYISFCNJH-MJGOQNOKSA-N 2 1 324.472 2.994 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCNc1ccccn1 ZINC000269052884 207203097 /nfs/dbraw/zinc/20/30/97/207203097.db2.gz RNYRHPYISFCNJH-MJGOQNOKSA-N 2 1 324.472 2.994 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000611269135 399454100 /nfs/dbraw/zinc/45/41/00/399454100.db2.gz YKLSTQHIBWYCRN-IBGZPJMESA-N 2 1 313.489 2.776 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195096 184277881 /nfs/dbraw/zinc/27/78/81/184277881.db2.gz UKTMCXNVQXKGPP-DOMZBBRYSA-N 2 1 309.841 2.870 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195096 184277883 /nfs/dbraw/zinc/27/78/83/184277883.db2.gz UKTMCXNVQXKGPP-DOMZBBRYSA-N 2 1 309.841 2.870 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2csc(COc3ccccc3)n2)CC1 ZINC000346691681 284926818 /nfs/dbraw/zinc/92/68/18/284926818.db2.gz WWYZJDYDAIHJJJ-UHFFFAOYSA-N 2 1 317.458 2.893 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1c[nH+]ccc1N ZINC000422736688 296323669 /nfs/dbraw/zinc/32/36/69/296323669.db2.gz WGOGAABVBBWZHV-PXAZEXFGSA-N 2 1 302.397 2.587 20 0 DFADMP C[C@@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1C[NH2+]C1 ZINC000422737871 296323984 /nfs/dbraw/zinc/32/39/84/296323984.db2.gz IRVRHALBNNGKGC-MRXNPFEDSA-N 2 1 301.478 2.616 20 0 DFADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422742243 296324351 /nfs/dbraw/zinc/32/43/51/296324351.db2.gz PUEDPSQZTYWLHA-MOPGFXCFSA-N 3 1 301.478 2.801 20 0 DFADMP COc1ccccc1[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000422748639 296325601 /nfs/dbraw/zinc/32/56/01/296325601.db2.gz VMAIWVSRSYHCTR-SJLPKXTDSA-N 2 1 317.477 2.564 20 0 DFADMP CCC[NH+]1CCC(C[NH2+][C@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422746723 296325791 /nfs/dbraw/zinc/32/57/91/296325791.db2.gz XBAWSEZKNDABCD-QFBILLFUSA-N 2 1 303.494 2.657 20 0 DFADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422745764 296325245 /nfs/dbraw/zinc/32/52/45/296325245.db2.gz MUXNZJWGTGYJRS-HHXXYDBFSA-N 2 1 301.478 2.929 20 0 DFADMP CC[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745661 296325378 /nfs/dbraw/zinc/32/53/78/296325378.db2.gz VKMFMCAWJTWHQW-WNHJNPCNSA-N 2 1 301.478 2.942 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])N2CCCCC2)cc1 ZINC000422755439 296327341 /nfs/dbraw/zinc/32/73/41/296327341.db2.gz HSRVYHJGYIUCDT-FHWLQOOXSA-N 2 1 317.477 2.692 20 0 DFADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000422758971 296328219 /nfs/dbraw/zinc/32/82/19/296328219.db2.gz OMTWNZBAGYOPHO-RBUKOAKNSA-N 2 1 312.461 2.973 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000422756841 296327854 /nfs/dbraw/zinc/32/78/54/296327854.db2.gz CMGAEQGCBIRUQN-HUUCEWRRSA-N 2 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000422756841 296327856 /nfs/dbraw/zinc/32/78/56/296327856.db2.gz CMGAEQGCBIRUQN-HUUCEWRRSA-N 3 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000422756841 296327857 /nfs/dbraw/zinc/32/78/57/296327857.db2.gz CMGAEQGCBIRUQN-HUUCEWRRSA-N 3 1 304.482 2.764 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422760595 296328402 /nfs/dbraw/zinc/32/84/02/296328402.db2.gz QILPCFNZKBMEMK-MJGOQNOKSA-N 2 1 317.477 2.564 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)[nH]1 ZINC000602573893 399479486 /nfs/dbraw/zinc/47/94/86/399479486.db2.gz AIFKYUZGFDWPCU-HNNXBMFYSA-N 2 1 321.465 2.649 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[nH]1 ZINC000602573893 399479489 /nfs/dbraw/zinc/47/94/89/399479489.db2.gz AIFKYUZGFDWPCU-HNNXBMFYSA-N 2 1 321.465 2.649 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422763977 296329326 /nfs/dbraw/zinc/32/93/26/296329326.db2.gz PDGRJZLYWWGPAW-YOEHRIQHSA-N 2 1 322.880 2.976 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000422765785 296329777 /nfs/dbraw/zinc/32/97/77/296329777.db2.gz RGBIFAOROLELIR-PBHICJAKSA-N 2 1 306.498 2.866 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422769672 296330082 /nfs/dbraw/zinc/33/00/82/296330082.db2.gz VZZTUVLKLGUIAH-KYJSFNMBSA-N 2 1 305.441 2.915 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)[nH]1 ZINC000602609069 399489254 /nfs/dbraw/zinc/48/92/54/399489254.db2.gz QRQHRWOQGATJKG-CQSZACIVSA-N 2 1 307.438 2.546 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422790327 296333162 /nfs/dbraw/zinc/33/31/62/296333162.db2.gz XPSKNDNMVOSPCD-XNMUZJSGSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(CN2CCCC[C@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422790327 296333164 /nfs/dbraw/zinc/33/31/64/296333164.db2.gz XPSKNDNMVOSPCD-XNMUZJSGSA-N 2 1 313.489 2.914 20 0 DFADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@H]1CCC[NH2+]CC1 ZINC000422792695 296333528 /nfs/dbraw/zinc/33/35/28/296333528.db2.gz RMPVHJZJIYHVFB-IBGZPJMESA-N 2 1 301.478 2.904 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794835 296334070 /nfs/dbraw/zinc/33/40/70/296334070.db2.gz GYVQVPZKBZWIDT-PKOBYXMFSA-N 2 1 319.493 2.810 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797257 296334816 /nfs/dbraw/zinc/33/48/16/296334816.db2.gz LSAJRYRQZCPWON-NZSAHSFTSA-N 2 1 319.493 2.795 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422798339 296334837 /nfs/dbraw/zinc/33/48/37/296334837.db2.gz QRRXJENDEAEOTP-YJBOKZPZSA-N 2 1 316.493 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC000422798339 296334839 /nfs/dbraw/zinc/33/48/39/296334839.db2.gz QRRXJENDEAEOTP-YJBOKZPZSA-N 2 1 316.493 2.764 20 0 DFADMP CC[C@H]([NH2+]CCc1nc(C(F)(F)F)cs1)[C@@H]1CCC[NH2+]1 ZINC000422812600 296337754 /nfs/dbraw/zinc/33/77/54/296337754.db2.gz WRXCFGJGNLHEDD-UWVGGRQHSA-N 2 1 307.385 2.825 20 0 DFADMP CCc1ccc([C@H](CC(C)C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000623960601 399504921 /nfs/dbraw/zinc/50/49/21/399504921.db2.gz BDVAWTMASJKTIX-OALUTQOASA-N 2 1 304.478 2.992 20 0 DFADMP CCc1ccc([C@H](CC(C)C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000623960601 399504924 /nfs/dbraw/zinc/50/49/24/399504924.db2.gz BDVAWTMASJKTIX-OALUTQOASA-N 2 1 304.478 2.992 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422811093 296337405 /nfs/dbraw/zinc/33/74/05/296337405.db2.gz TZLNCYDFXTYYJU-CEXWTWQISA-N 2 1 301.478 2.759 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843500 399506465 /nfs/dbraw/zinc/50/64/65/399506465.db2.gz ORVUALLYXUNBGE-IJEWVQPXSA-N 2 1 311.429 2.693 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843500 399506468 /nfs/dbraw/zinc/50/64/68/399506468.db2.gz ORVUALLYXUNBGE-IJEWVQPXSA-N 2 1 311.429 2.693 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)cc1F ZINC000422819780 296339071 /nfs/dbraw/zinc/33/90/71/296339071.db2.gz OBNZWMXSUWPBDL-GUYCJALGSA-N 2 1 320.383 2.892 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@@H]1C[NH3+] ZINC000631841421 399506579 /nfs/dbraw/zinc/50/65/79/399506579.db2.gz KKGPDCTYYSEGHU-QAPCUYQASA-N 2 1 323.440 2.966 20 0 DFADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843612 399506831 /nfs/dbraw/zinc/50/68/31/399506831.db2.gz QHWKWTVHHBBINO-NVXWUHKLSA-N 2 1 323.440 2.819 20 0 DFADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843612 399506836 /nfs/dbraw/zinc/50/68/36/399506836.db2.gz QHWKWTVHHBBINO-NVXWUHKLSA-N 2 1 323.440 2.819 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631843526 399506956 /nfs/dbraw/zinc/50/69/56/399506956.db2.gz OXUUVWVLJCYNJO-LAQRGFTBSA-N 2 1 317.477 2.559 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631843526 399506960 /nfs/dbraw/zinc/50/69/60/399506960.db2.gz OXUUVWVLJCYNJO-LAQRGFTBSA-N 2 1 317.477 2.559 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631843525 399505958 /nfs/dbraw/zinc/50/59/58/399505958.db2.gz OXUUVWVLJCYNJO-FZCLSBEQSA-N 2 1 317.477 2.559 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000631843525 399505964 /nfs/dbraw/zinc/50/59/64/399505964.db2.gz OXUUVWVLJCYNJO-FZCLSBEQSA-N 2 1 317.477 2.559 20 0 DFADMP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000422831309 296341036 /nfs/dbraw/zinc/34/10/36/296341036.db2.gz DPQSEFFYCBIONG-FHERZECASA-N 3 1 307.507 2.820 20 0 DFADMP [NH3+]C1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000422831309 296341037 /nfs/dbraw/zinc/34/10/37/296341037.db2.gz DPQSEFFYCBIONG-FHERZECASA-N 3 1 307.507 2.820 20 0 DFADMP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000422829623 296340671 /nfs/dbraw/zinc/34/06/71/296340671.db2.gz QAPUSRGTHCNJEN-HUUCEWRRSA-N 2 1 305.447 2.576 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422829785 296340678 /nfs/dbraw/zinc/34/06/78/296340678.db2.gz CACZPZQJTMURLG-HUUCEWRRSA-N 2 1 322.449 2.852 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422837942 296342267 /nfs/dbraw/zinc/34/22/67/296342267.db2.gz VVBQRMQBQVOBPN-BPQIPLTHSA-N 2 1 310.445 2.880 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834948 296341872 /nfs/dbraw/zinc/34/18/72/296341872.db2.gz HZWQVDBPUJQBGD-UXLLHSPISA-N 2 1 307.507 2.690 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+]CCCNc3ccccn3)CC[NH2+]2)cc1 ZINC000422836952 296341924 /nfs/dbraw/zinc/34/19/24/296341924.db2.gz SHGQOBNKRZEQHY-QZTJIDSGSA-N 2 1 310.445 2.967 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841265 296342565 /nfs/dbraw/zinc/34/25/65/296342565.db2.gz VLGDPXXIHVDXCT-JYJNAYRXSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841265 296342566 /nfs/dbraw/zinc/34/25/66/296342566.db2.gz VLGDPXXIHVDXCT-JYJNAYRXSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841265 296342567 /nfs/dbraw/zinc/34/25/67/296342567.db2.gz VLGDPXXIHVDXCT-JYJNAYRXSA-N 3 1 307.507 2.548 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CC[NH2+]C1 ZINC000422841265 296342569 /nfs/dbraw/zinc/34/25/69/296342569.db2.gz VLGDPXXIHVDXCT-JYJNAYRXSA-N 3 1 307.507 2.548 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000422841320 296342800 /nfs/dbraw/zinc/34/28/00/296342800.db2.gz VSEHOTSKVPOMNP-PBWTXFEYSA-N 2 1 301.478 2.770 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347019103 285006411 /nfs/dbraw/zinc/00/64/11/285006411.db2.gz LSLLOGOGDONMIK-INIZCTEOSA-N 2 1 312.417 2.700 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347019103 285006414 /nfs/dbraw/zinc/00/64/14/285006414.db2.gz LSLLOGOGDONMIK-INIZCTEOSA-N 2 1 312.417 2.700 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422848918 296344216 /nfs/dbraw/zinc/34/42/16/296344216.db2.gz BINRBCZRYFVJOE-RCBQFDQVSA-N 2 1 309.404 2.664 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000347067596 285010432 /nfs/dbraw/zinc/01/04/32/285010432.db2.gz NCLXLCRKDGLUGV-UHFFFAOYSA-N 2 1 301.356 2.922 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000347071449 285012437 /nfs/dbraw/zinc/01/24/37/285012437.db2.gz QCWQVWPEENVJTD-VXGBXAGGSA-N 2 1 320.387 2.914 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000347071449 285012438 /nfs/dbraw/zinc/01/24/38/285012438.db2.gz QCWQVWPEENVJTD-VXGBXAGGSA-N 2 1 320.387 2.914 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)C1C[NH2+]C1 ZINC000422847287 296344094 /nfs/dbraw/zinc/34/40/94/296344094.db2.gz RCECYXPRFKCNIO-GFCCVEGCSA-N 2 1 301.365 2.711 20 0 DFADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347064747 285009470 /nfs/dbraw/zinc/00/94/70/285009470.db2.gz DCQKQWYKYHHMRW-GFCCVEGCSA-N 2 1 320.330 2.938 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347064747 285009473 /nfs/dbraw/zinc/00/94/73/285009473.db2.gz DCQKQWYKYHHMRW-GFCCVEGCSA-N 2 1 320.330 2.938 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422862932 296346841 /nfs/dbraw/zinc/34/68/41/296346841.db2.gz OFQDEEGBKVUJSI-NEWSRXKRSA-N 2 1 301.478 2.944 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422862934 296346873 /nfs/dbraw/zinc/34/68/73/296346873.db2.gz OFQDEEGBKVUJSI-QRQLOZEOSA-N 2 1 301.478 2.944 20 0 DFADMP CC[C@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)[N@@H+](C)Cc1ccccc1 ZINC000422866365 296346969 /nfs/dbraw/zinc/34/69/69/296346969.db2.gz QIGGHFLFHNFGSV-MJGOQNOKSA-N 2 1 319.493 2.777 20 0 DFADMP CN(CCC[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000422870576 296347815 /nfs/dbraw/zinc/34/78/15/296347815.db2.gz YZMQTHDJAMQCCH-UONOGXRCSA-N 2 1 301.356 2.605 20 0 DFADMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000422872820 296348160 /nfs/dbraw/zinc/34/81/60/296348160.db2.gz ITQQVDPBRSXMMU-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000422872820 296348162 /nfs/dbraw/zinc/34/81/62/296348162.db2.gz ITQQVDPBRSXMMU-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP CN(CCC[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000422870577 296347780 /nfs/dbraw/zinc/34/77/80/296347780.db2.gz YZMQTHDJAMQCCH-ZIAGYGMSSA-N 2 1 301.356 2.605 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CCCC[C@@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000422876988 296349070 /nfs/dbraw/zinc/34/90/70/296349070.db2.gz HCUIVISAZFEWIJ-ZACQAIPSSA-N 2 1 305.466 2.832 20 0 DFADMP CCOc1cccc(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000422873163 296348293 /nfs/dbraw/zinc/34/82/93/296348293.db2.gz KHVSFDKXHFJRFK-VXGBXAGGSA-N 2 1 314.376 2.774 20 0 DFADMP CC[C@@H](C(=O)NCC([NH3+])(CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000422883798 296350236 /nfs/dbraw/zinc/35/02/36/296350236.db2.gz VOEMUGXGRDSETC-INIZCTEOSA-N 2 1 305.466 2.531 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)[NH+]2CCCC2)o1 ZINC000422881156 296349732 /nfs/dbraw/zinc/34/97/32/296349732.db2.gz PQAPLZVNNJJCHR-PVAVHDDUSA-N 2 1 305.466 2.703 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCCC[NH3+])CCCC2)CC1 ZINC000422891939 296351579 /nfs/dbraw/zinc/35/15/79/296351579.db2.gz WXXHPBFDOFXVJT-MRXNPFEDSA-N 3 1 311.514 2.517 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901409 296353180 /nfs/dbraw/zinc/35/31/80/296353180.db2.gz BZYFBDBVQGFCDI-IEZWGBDMSA-N 2 1 317.477 2.562 20 0 DFADMP CC[C@H](C)N(C)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901409 296353181 /nfs/dbraw/zinc/35/31/81/296353181.db2.gz BZYFBDBVQGFCDI-IEZWGBDMSA-N 2 1 317.477 2.562 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H](C)[C@@H]2CC[NH2+]C2)CC1 ZINC000422902125 296353404 /nfs/dbraw/zinc/35/34/04/296353404.db2.gz TUBHYUJKQBRBQN-IAGOWNOFSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000422894260 296351836 /nfs/dbraw/zinc/35/18/36/296351836.db2.gz BWGZWPUUFCQRKN-UHFFFAOYSA-N 3 1 301.478 2.819 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1C[NH2+]C1 ZINC000422893985 296351838 /nfs/dbraw/zinc/35/18/38/296351838.db2.gz RXEYBXZEKKSSCO-BBWFWOEESA-N 3 1 315.505 2.862 20 0 DFADMP C[C@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C1C[NH2+]C1 ZINC000422893985 296351839 /nfs/dbraw/zinc/35/18/39/296351839.db2.gz RXEYBXZEKKSSCO-BBWFWOEESA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1C[NH2+]C1 ZINC000422893985 296351840 /nfs/dbraw/zinc/35/18/40/296351840.db2.gz RXEYBXZEKKSSCO-BBWFWOEESA-N 2 1 315.505 2.862 20 0 DFADMP C[C@@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1C[NH2+]C1 ZINC000422893986 296351856 /nfs/dbraw/zinc/35/18/56/296351856.db2.gz RXEYBXZEKKSSCO-BRWVUGGUSA-N 2 1 315.505 2.862 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422893657 296351955 /nfs/dbraw/zinc/35/19/55/296351955.db2.gz AMIIZVTUQHHVGC-RTBURBONSA-N 2 1 312.413 2.946 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])cc1F ZINC000422904431 296353700 /nfs/dbraw/zinc/35/37/00/296353700.db2.gz PYCPUPZVOZJRON-DOTOQJQBSA-N 3 1 316.424 2.927 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422906064 296354290 /nfs/dbraw/zinc/35/42/90/296354290.db2.gz UCGPYQUICOULPE-HZPDHXFCSA-N 2 1 301.365 2.982 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000422908673 296354618 /nfs/dbraw/zinc/35/46/18/296354618.db2.gz YYRKLDDVOSZGOQ-CVEARBPZSA-N 2 1 302.397 2.761 20 0 DFADMP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909710 296354695 /nfs/dbraw/zinc/35/46/95/296354695.db2.gz OVFAXEUEYOGZOK-ZZJWQFMZSA-N 2 1 305.510 2.904 20 0 DFADMP C[C@H]1C[C@H](N(C)c2nc3ccccc3n3cncc23)CC[N@H+]1C ZINC000623992007 399516099 /nfs/dbraw/zinc/51/60/99/399516099.db2.gz ZCGHJNQHJDBLPB-UONOGXRCSA-N 2 1 309.417 2.801 20 0 DFADMP COc1cc(OC)cc(OCCC[NH2+][C@@H](C)[C@H]2CCCC[NH2+]2)c1 ZINC000422925718 296356083 /nfs/dbraw/zinc/35/60/83/296356083.db2.gz CEWQEFXHMZLDRJ-KBXCAEBGSA-N 2 1 322.449 2.593 20 0 DFADMP CCNC(=O)c1cccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)c1 ZINC000422933582 296357078 /nfs/dbraw/zinc/35/70/78/296357078.db2.gz BJSFPAAWYGRFDM-CRAIPNDOSA-N 2 1 317.477 2.837 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCC[C@H]2[NH3+])ccc1OC1CCCC1 ZINC000422937690 296357912 /nfs/dbraw/zinc/35/79/12/296357912.db2.gz JWRWMRPXLGIKFR-HZPDHXFCSA-N 2 1 304.434 2.986 20 0 DFADMP CC(C)[C@H](CN[C@@H](C)[C@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422935691 296357650 /nfs/dbraw/zinc/35/76/50/296357650.db2.gz HKQKJQLOFFYEKG-QRFRQXIXSA-N 2 1 315.505 2.657 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000422935691 296357653 /nfs/dbraw/zinc/35/76/53/296357653.db2.gz HKQKJQLOFFYEKG-QRFRQXIXSA-N 2 1 315.505 2.657 20 0 DFADMP CC(C)[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422947737 296359298 /nfs/dbraw/zinc/35/92/98/296359298.db2.gz YSJOBVSAFFPOLF-LSTHTHJFSA-N 2 1 315.505 2.799 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888787 399520041 /nfs/dbraw/zinc/52/00/41/399520041.db2.gz AYKQXHGRRLKGRO-PBHICJAKSA-N 2 1 319.424 2.537 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888787 399520044 /nfs/dbraw/zinc/52/00/44/399520044.db2.gz AYKQXHGRRLKGRO-PBHICJAKSA-N 2 1 319.424 2.537 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888790 399520085 /nfs/dbraw/zinc/52/00/85/399520085.db2.gz AYKQXHGRRLKGRO-YOEHRIQHSA-N 2 1 319.424 2.537 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888790 399520088 /nfs/dbraw/zinc/52/00/88/399520088.db2.gz AYKQXHGRRLKGRO-YOEHRIQHSA-N 2 1 319.424 2.537 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000422952608 296360475 /nfs/dbraw/zinc/36/04/75/296360475.db2.gz BNGSZRVGVJALCS-HIFRSBDPSA-N 2 1 316.474 2.725 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000611782766 399525458 /nfs/dbraw/zinc/52/54/58/399525458.db2.gz AVMBUCJYVZCYLS-HOTGVXAUSA-N 2 1 307.438 2.806 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000611782766 399525466 /nfs/dbraw/zinc/52/54/66/399525466.db2.gz AVMBUCJYVZCYLS-HOTGVXAUSA-N 2 1 307.438 2.806 20 0 DFADMP CCN(CC)[C@@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccco1 ZINC000422971567 296362995 /nfs/dbraw/zinc/36/29/95/296362995.db2.gz JECAMYCRMFJQOS-BBRMVZONSA-N 2 1 302.422 2.821 20 0 DFADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422976097 296363280 /nfs/dbraw/zinc/36/32/80/296363280.db2.gz UQFVVDQSCBCTMO-NZSAHSFTSA-N 3 1 301.478 2.801 20 0 DFADMP CO[C@@H](C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000625347516 399528725 /nfs/dbraw/zinc/52/87/25/399528725.db2.gz GPXNSXHZRSJCFQ-PBHICJAKSA-N 2 1 317.408 2.904 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000625347516 399528730 /nfs/dbraw/zinc/52/87/30/399528730.db2.gz GPXNSXHZRSJCFQ-PBHICJAKSA-N 2 1 317.408 2.904 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C(C)C)N1CCCC1 ZINC000422969004 296362399 /nfs/dbraw/zinc/36/23/99/296362399.db2.gz YKLYIYCBPLHJAZ-RDTXWAMCSA-N 2 1 304.482 2.620 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1c[nH+]ccc1N ZINC000422967125 296362420 /nfs/dbraw/zinc/36/24/20/296362420.db2.gz SLQBRMDYCARGDQ-BBRMVZONSA-N 2 1 300.406 2.575 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)N(C)C ZINC000422968601 296362511 /nfs/dbraw/zinc/36/25/11/296362511.db2.gz XGSFSLLCJDHNTE-UGSOOPFHSA-N 2 1 306.498 2.866 20 0 DFADMP COc1ccc([C@@H]([NH2+]CC(C)(C)CCCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000422984744 296364168 /nfs/dbraw/zinc/36/41/68/296364168.db2.gz BIXIDMWIJKEEEY-ZWKOTPCHSA-N 2 1 320.477 2.877 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCO[C@@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422996014 296365275 /nfs/dbraw/zinc/36/52/75/296365275.db2.gz RZMMYVUFMGLXCC-SFUIVIKGSA-N 2 1 318.461 2.893 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@@H](Cc1ccccc1)[C@@H](C)[NH3+] ZINC000423005332 296366286 /nfs/dbraw/zinc/36/62/86/296366286.db2.gz RMPFAMLAMJEQSC-QRQLOZEOSA-N 2 1 303.494 2.655 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000347606110 285089262 /nfs/dbraw/zinc/08/92/62/285089262.db2.gz BPDNRNXIFHPWOX-HUUCEWRRSA-N 2 1 311.857 2.576 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000423006773 296366614 /nfs/dbraw/zinc/36/66/14/296366614.db2.gz WIDPQDBNBPTAFX-BWPNAZKDSA-N 3 1 315.505 2.875 20 0 DFADMP CO[C@H](C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000625373105 399537780 /nfs/dbraw/zinc/53/77/80/399537780.db2.gz BVXXRWCZOXVTLL-RHSMWYFYSA-N 2 1 317.408 2.904 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000625373105 399537784 /nfs/dbraw/zinc/53/77/84/399537784.db2.gz BVXXRWCZOXVTLL-RHSMWYFYSA-N 2 1 317.408 2.904 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000423010628 296367536 /nfs/dbraw/zinc/36/75/36/296367536.db2.gz YBYSWVSOXLHNKV-ZCNNSNEGSA-N 2 1 310.441 2.845 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](NC4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423026690 296369372 /nfs/dbraw/zinc/36/93/72/296369372.db2.gz BYCLZISVVRXXPP-YSIASYRMSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423026690 296369373 /nfs/dbraw/zinc/36/93/73/296369373.db2.gz BYCLZISVVRXXPP-YSIASYRMSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CC[NH2+]CC4)[C@H]3C2)cc1 ZINC000423026690 296369376 /nfs/dbraw/zinc/36/93/76/296369376.db2.gz BYCLZISVVRXXPP-YSIASYRMSA-N 3 1 313.489 2.629 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000423037326 296370524 /nfs/dbraw/zinc/37/05/24/296370524.db2.gz MQGVZDYQSQLVJQ-OIISXLGYSA-N 2 1 308.853 2.895 20 0 DFADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423046527 296371615 /nfs/dbraw/zinc/37/16/15/296371615.db2.gz FMBFDNCCCUIJOC-KBAYOESNSA-N 2 1 314.429 2.988 20 0 DFADMP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423049470 296371958 /nfs/dbraw/zinc/37/19/58/296371958.db2.gz XRYILYJTMLCWTA-DKKFBQAASA-N 2 1 301.478 2.627 20 0 DFADMP Cc1cccc(C[C@H](CO)[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)c1 ZINC000423055524 296372888 /nfs/dbraw/zinc/37/28/88/296372888.db2.gz DDIMZGHSRKNZBQ-HBMCJLEFSA-N 2 1 324.468 2.981 20 0 DFADMP Cc1ccccc1C[C@H](CO)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423062058 296373607 /nfs/dbraw/zinc/37/36/07/296373607.db2.gz SFDPWSCIVUCIQD-HBMCJLEFSA-N 2 1 324.468 2.981 20 0 DFADMP C[C@@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423067125 296374400 /nfs/dbraw/zinc/37/44/00/296374400.db2.gz YNKPJQDKDIJFAV-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423068181 296374544 /nfs/dbraw/zinc/37/45/44/296374544.db2.gz BCBVHNVSYACKTB-YZVOILCLSA-N 2 1 313.445 2.775 20 0 DFADMP Fc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423063951 296373872 /nfs/dbraw/zinc/37/38/72/296373872.db2.gz QDXQPCBTDCDYFU-VNQPRFMTSA-N 2 1 312.816 2.726 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423076890 296375599 /nfs/dbraw/zinc/37/55/99/296375599.db2.gz SBHVQSKJWTYARC-FZDIXFNVSA-N 2 1 320.452 2.630 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000423086750 296376882 /nfs/dbraw/zinc/37/68/82/296376882.db2.gz NYGKZMXBLKMSQB-DOTOQJQBSA-N 3 1 310.445 2.667 20 0 DFADMP C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423089824 296376987 /nfs/dbraw/zinc/37/69/87/296376987.db2.gz WCWHXBCZNOWNRV-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC[NH+](C3CCCCC3)CC2)s1 ZINC000347665417 285120840 /nfs/dbraw/zinc/12/08/40/285120840.db2.gz DTLJLBONHXEKCY-UHFFFAOYSA-N 2 1 322.522 2.655 20 0 DFADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)nc1 ZINC000624110638 399556566 /nfs/dbraw/zinc/55/65/66/399556566.db2.gz CAOOVXPOMFCOIF-KRWDZBQOSA-N 2 1 317.477 2.511 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624119544 399559071 /nfs/dbraw/zinc/55/90/71/399559071.db2.gz DSWHZQHYTZPDTI-RDJZCZTQSA-N 2 1 320.477 2.956 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624121454 399560338 /nfs/dbraw/zinc/56/03/38/399560338.db2.gz WUUGTLMBKWRPKT-HUUCEWRRSA-N 2 1 321.440 2.864 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347692520 285133385 /nfs/dbraw/zinc/13/33/85/285133385.db2.gz XFAZKOVHTUHWBI-HXUWFJFHSA-N 2 1 316.489 2.918 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H](C)C[C@H](C)[NH3+] ZINC000423110226 296379789 /nfs/dbraw/zinc/37/97/89/296379789.db2.gz OXNIRGICLDVZRU-VHSXEESVSA-N 2 1 306.328 2.809 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624121347 399561261 /nfs/dbraw/zinc/56/12/61/399561261.db2.gz UGLFJLPRNGRVLT-HSBZDZAISA-N 2 1 308.388 2.544 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000624120367 399560421 /nfs/dbraw/zinc/56/04/21/399560421.db2.gz XJSQJNSLRLFLSY-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP COCC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCOCC1 ZINC000423123174 296381282 /nfs/dbraw/zinc/38/12/82/296381282.db2.gz DJTKKYJVLOKHBK-ZWKOTPCHSA-N 2 1 318.461 2.513 20 0 DFADMP CC(C)Oc1ccc([C@@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423122542 296381165 /nfs/dbraw/zinc/38/11/65/296381165.db2.gz JUFGUJYIRLHEBJ-RLFYNMQTSA-N 2 1 307.482 2.792 20 0 DFADMP C[C@@H]([NH2+][C@H](C)C1C[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423128718 296382042 /nfs/dbraw/zinc/38/20/42/296382042.db2.gz DGIQZUKYNGQULJ-RKDXNWHRSA-N 2 1 301.203 2.847 20 0 DFADMP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@H]1CCCC[NH2+]1 ZINC000423125423 296381675 /nfs/dbraw/zinc/38/16/75/296381675.db2.gz ICCSMEJHIOFDBJ-DGCLKSJQSA-N 2 1 301.356 2.763 20 0 DFADMP CCN1C[C@@H](C)[C@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000347715803 285142935 /nfs/dbraw/zinc/14/29/35/285142935.db2.gz GWPUFAGAHZKALX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000347715803 285142938 /nfs/dbraw/zinc/14/29/38/285142938.db2.gz GWPUFAGAHZKALX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000347715803 285142941 /nfs/dbraw/zinc/14/29/41/285142941.db2.gz GWPUFAGAHZKALX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@@H](C)[C@H](NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000347715803 285142944 /nfs/dbraw/zinc/14/29/44/285142944.db2.gz GWPUFAGAHZKALX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@@H](C)[C@H](NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000347715803 285142946 /nfs/dbraw/zinc/14/29/46/285142946.db2.gz GWPUFAGAHZKALX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP COc1ncccc1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423140566 296383733 /nfs/dbraw/zinc/38/37/33/296383733.db2.gz MSFIQBXFHJZMKS-MSOLQXFVSA-N 2 1 311.429 2.716 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423144011 296384441 /nfs/dbraw/zinc/38/44/41/296384441.db2.gz FXCGRYHEYWIXPB-OIISXLGYSA-N 2 1 307.507 2.728 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423146130 296384593 /nfs/dbraw/zinc/38/45/93/296384593.db2.gz ODCVQTSBTYZCJE-AFYVEPGGSA-N 2 1 314.473 2.853 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c2ccccc2O1 ZINC000423152178 296385358 /nfs/dbraw/zinc/38/53/58/296385358.db2.gz DUDUYEYYLWMAKI-PEZLKRJXSA-N 2 1 316.445 2.645 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602779796 399569007 /nfs/dbraw/zinc/56/90/07/399569007.db2.gz RJDCXIGRZJWMEH-HZPDHXFCSA-N 2 1 319.449 2.776 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602779796 399569013 /nfs/dbraw/zinc/56/90/13/399569013.db2.gz RJDCXIGRZJWMEH-HZPDHXFCSA-N 2 1 319.449 2.776 20 0 DFADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423161843 296387038 /nfs/dbraw/zinc/38/70/38/296387038.db2.gz JVKLIWNMSRSYOQ-NEPJUHHUSA-N 2 1 303.381 2.924 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000423172993 296387881 /nfs/dbraw/zinc/38/78/81/296387881.db2.gz WJPRCESGBPCOSD-NEWSRXKRSA-N 2 1 301.478 2.801 20 0 DFADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423172993 296387882 /nfs/dbraw/zinc/38/78/82/296387882.db2.gz WJPRCESGBPCOSD-NEWSRXKRSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423172993 296387883 /nfs/dbraw/zinc/38/78/83/296387883.db2.gz WJPRCESGBPCOSD-NEWSRXKRSA-N 3 1 301.478 2.801 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423179768 296388831 /nfs/dbraw/zinc/38/88/31/296388831.db2.gz KDAAUHFNQOWIHH-NJAFHUGGSA-N 2 1 305.441 2.915 20 0 DFADMP Fc1cncc([C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)c1 ZINC000423182029 296389347 /nfs/dbraw/zinc/38/93/47/296389347.db2.gz DQPZTIRNYFZQEB-SFHVURJKSA-N 2 1 314.408 2.836 20 0 DFADMP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CC[NH3+])nc1 ZINC000423189752 296390269 /nfs/dbraw/zinc/39/02/69/296390269.db2.gz RJUDUKCTFRVDFR-SFHVURJKSA-N 2 1 317.864 3.000 20 0 DFADMP Oc1ccc2c(c1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423189931 296390372 /nfs/dbraw/zinc/39/03/72/296390372.db2.gz QHLRFDITOYMASE-LJQANCHMSA-N 2 1 311.429 2.934 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CC2 ZINC000423190256 296390569 /nfs/dbraw/zinc/39/05/69/296390569.db2.gz QTIDKWBVIXFVEA-IBGZPJMESA-N 2 1 311.429 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157559403 197198002 /nfs/dbraw/zinc/19/80/02/197198002.db2.gz LRWJQFVKDUXVDY-KFZJALRRSA-N 2 1 310.869 2.866 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423195146 296390737 /nfs/dbraw/zinc/39/07/37/296390737.db2.gz SHPWNHIPHGWURQ-NMLBUPMWSA-N 3 1 313.489 2.629 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)c1ccccc1 ZINC000617014007 399575302 /nfs/dbraw/zinc/57/53/02/399575302.db2.gz DPFBTUXBEXYXSV-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)c1ccccc1 ZINC000617014007 399575305 /nfs/dbraw/zinc/57/53/05/399575305.db2.gz DPFBTUXBEXYXSV-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617014007 399575307 /nfs/dbraw/zinc/57/53/07/399575307.db2.gz DPFBTUXBEXYXSV-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617014007 399575310 /nfs/dbraw/zinc/57/53/10/399575310.db2.gz DPFBTUXBEXYXSV-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000423193660 296390963 /nfs/dbraw/zinc/39/09/63/296390963.db2.gz XSCXYPZNRQRLFJ-GUDVDZBRSA-N 2 1 317.477 2.746 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCOc2c(Br)cccc21 ZINC000423208008 296392554 /nfs/dbraw/zinc/39/25/54/296392554.db2.gz YGAMKTLFORVZEM-CYBMUJFWSA-N 2 1 313.239 2.862 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423210975 296392853 /nfs/dbraw/zinc/39/28/53/296392853.db2.gz KJISWYOGAVINEH-SWLSCSKDSA-N 2 1 316.367 2.982 20 0 DFADMP C[C@@H](Cc1ccc(O)cc1)[N@@H+](C)Cc1ncc(CN(C)C)s1 ZINC000347784108 285172484 /nfs/dbraw/zinc/17/24/84/285172484.db2.gz QAMRLRFYAMAGAX-ZDUSSCGKSA-N 2 1 319.474 2.973 20 0 DFADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423200589 296392065 /nfs/dbraw/zinc/39/20/65/296392065.db2.gz MTHAORBOFZVGED-IPMKNSEASA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423200589 296392068 /nfs/dbraw/zinc/39/20/68/296392068.db2.gz MTHAORBOFZVGED-IPMKNSEASA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423200589 296392069 /nfs/dbraw/zinc/39/20/69/296392069.db2.gz MTHAORBOFZVGED-IPMKNSEASA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000423221403 296393922 /nfs/dbraw/zinc/39/39/22/296393922.db2.gz ZTNHFGLDGLXMIN-CHWSQXEVSA-N 2 1 319.840 2.571 20 0 DFADMP O[C@@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000157344319 197180771 /nfs/dbraw/zinc/18/07/71/197180771.db2.gz UFAODSOQOQETPW-ROUUACIJSA-N 2 1 306.425 2.809 20 0 DFADMP O[C@@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000157344319 197180773 /nfs/dbraw/zinc/18/07/73/197180773.db2.gz UFAODSOQOQETPW-ROUUACIJSA-N 2 1 306.425 2.809 20 0 DFADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423227137 296394766 /nfs/dbraw/zinc/39/47/66/296394766.db2.gz UPCDLASCNCQYSY-KANFNMMFSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423227137 296394767 /nfs/dbraw/zinc/39/47/67/296394767.db2.gz UPCDLASCNCQYSY-KANFNMMFSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423227137 296394768 /nfs/dbraw/zinc/39/47/68/296394768.db2.gz UPCDLASCNCQYSY-KANFNMMFSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423228359 296394821 /nfs/dbraw/zinc/39/48/21/296394821.db2.gz ZGPODXPLBZQUMT-GDAAHCPNSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423228359 296394823 /nfs/dbraw/zinc/39/48/23/296394823.db2.gz ZGPODXPLBZQUMT-GDAAHCPNSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423228359 296394824 /nfs/dbraw/zinc/39/48/24/296394824.db2.gz ZGPODXPLBZQUMT-GDAAHCPNSA-N 3 1 301.478 2.614 20 0 DFADMP O[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157228024 197171815 /nfs/dbraw/zinc/17/18/15/197171815.db2.gz GQCVCSUSTNDUSR-OALUTQOASA-N 2 1 302.462 2.540 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157206242 197170326 /nfs/dbraw/zinc/17/03/26/197170326.db2.gz XUEJKJBZBYUZFN-SFHVURJKSA-N 2 1 316.445 2.924 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([NH+]3CCCC3)CC2)cc1 ZINC000157206242 197170328 /nfs/dbraw/zinc/17/03/28/197170328.db2.gz XUEJKJBZBYUZFN-SFHVURJKSA-N 2 1 316.445 2.924 20 0 DFADMP CCN(C#N)CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000602812581 399586591 /nfs/dbraw/zinc/58/65/91/399586591.db2.gz TXVMLZXUKDLKBH-IRXDYDNUSA-N 2 1 314.477 2.536 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000360611209 285192048 /nfs/dbraw/zinc/19/20/48/285192048.db2.gz FZBUVJIHMYJSCQ-OAHLLOKOSA-N 2 1 305.397 2.673 20 0 DFADMP CC(C)C[C@H](CN)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263466 296398173 /nfs/dbraw/zinc/39/81/73/296398173.db2.gz OKSFIMDZFIVOLT-NVXWUHKLSA-N 2 1 307.482 2.651 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263466 296398176 /nfs/dbraw/zinc/39/81/76/296398176.db2.gz OKSFIMDZFIVOLT-NVXWUHKLSA-N 3 1 307.482 2.651 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@@H]2C[NH3+])nnn1-c1ccccc1 ZINC000423263606 296398294 /nfs/dbraw/zinc/39/82/94/296398294.db2.gz BEACQNUOGNTXPW-LXZKKBNFSA-N 2 1 313.449 2.744 20 0 DFADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]([NH3+])C(C)C)cc1 ZINC000423263633 296398339 /nfs/dbraw/zinc/39/83/39/296398339.db2.gz BFPMOGRACOEBKA-MOPGFXCFSA-N 2 1 313.445 2.947 20 0 DFADMP COc1ccc([C@@H](OC)[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297574870 533137872 /nfs/dbraw/zinc/13/78/72/533137872.db2.gz HZWUXTQOZRJITK-KUHUBIRLSA-N 2 1 318.461 2.988 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000423259905 296397590 /nfs/dbraw/zinc/39/75/90/296397590.db2.gz FZTPTADQYISNQR-GOEBONIOSA-N 2 1 308.466 2.906 20 0 DFADMP CC(C)C[C@H](C[NH3+])N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423271566 296399148 /nfs/dbraw/zinc/39/91/48/296399148.db2.gz YACNVWXVPXISIF-NZSAHSFTSA-N 2 1 303.494 2.860 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000423276502 296399753 /nfs/dbraw/zinc/39/97/53/296399753.db2.gz MYHLKMGLUXSIOX-UONOGXRCSA-N 2 1 313.214 2.902 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423298036 296402021 /nfs/dbraw/zinc/40/20/21/296402021.db2.gz MWGJJHNZTOXUMS-XAUUPUKJSA-N 2 1 315.461 2.926 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000156210142 197095534 /nfs/dbraw/zinc/09/55/34/197095534.db2.gz HRMFRTPEYOFNQD-HOTGVXAUSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)c1cnn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000156210142 197095536 /nfs/dbraw/zinc/09/55/36/197095536.db2.gz HRMFRTPEYOFNQD-HOTGVXAUSA-N 2 1 300.450 2.981 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)[C@@H]2CCCOC2)cc1 ZINC000423319769 296404039 /nfs/dbraw/zinc/40/40/39/296404039.db2.gz CZPKFLJPXMPVLH-FXECBMLZSA-N 2 1 318.461 2.545 20 0 DFADMP C[C@@]1(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CCC[NH2+]C1 ZINC000423345126 296406673 /nfs/dbraw/zinc/40/66/73/296406673.db2.gz OSXNZYPUQHOUOO-RTBURBONSA-N 2 1 310.445 2.740 20 0 DFADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1OC ZINC000347881819 285222908 /nfs/dbraw/zinc/22/29/08/285222908.db2.gz OQHKTLKMTFUMJJ-CJNGLKHVSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c(C)c1OC ZINC000347881819 285222909 /nfs/dbraw/zinc/22/29/09/285222909.db2.gz OQHKTLKMTFUMJJ-CJNGLKHVSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1OC ZINC000347881819 285222913 /nfs/dbraw/zinc/22/29/13/285222913.db2.gz OQHKTLKMTFUMJJ-CJNGLKHVSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1OC ZINC000347881819 285222916 /nfs/dbraw/zinc/22/29/16/285222916.db2.gz OQHKTLKMTFUMJJ-CJNGLKHVSA-N 2 1 306.450 2.927 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155281948 197039916 /nfs/dbraw/zinc/03/99/16/197039916.db2.gz NPHCKWLKEVEOIT-VKJFTORMSA-N 2 1 315.461 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000155281948 197039917 /nfs/dbraw/zinc/03/99/17/197039917.db2.gz NPHCKWLKEVEOIT-VKJFTORMSA-N 2 1 315.461 2.632 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000423371990 296409879 /nfs/dbraw/zinc/40/98/79/296409879.db2.gz QSKCRWPSQRZINR-IMFGXOCKSA-N 3 1 315.505 2.942 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154862150 197000034 /nfs/dbraw/zinc/00/00/34/197000034.db2.gz CXGWUJDNYXETIT-HZPDHXFCSA-N 2 1 320.477 2.888 20 0 DFADMP Cn1cc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000423382084 296410848 /nfs/dbraw/zinc/41/08/48/296410848.db2.gz JTIGNZDIBNZVFS-IXDOHACOSA-N 2 1 302.397 2.508 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000423403724 296413220 /nfs/dbraw/zinc/41/32/20/296413220.db2.gz XEIYJDQOVSKMDG-GDPRMGEGSA-N 2 1 316.218 2.904 20 0 DFADMP COC[C@]1(C[NH2+][C@@H](c2ccc(OC)cc2)C(C)C)CCC[NH2+]1 ZINC000423423395 296415119 /nfs/dbraw/zinc/41/51/19/296415119.db2.gz ZLQKJIYPKVKCSR-QZTJIDSGSA-N 2 1 306.450 2.751 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000423443540 296417074 /nfs/dbraw/zinc/41/70/74/296417074.db2.gz VRBLTEYZXHGUIJ-TXPWEPMLSA-N 2 1 304.434 2.743 20 0 DFADMP Cc1nccn1CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931210 285252842 /nfs/dbraw/zinc/25/28/42/285252842.db2.gz KUTANTXPSWQTRB-NVXWUHKLSA-N 2 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347931210 285252845 /nfs/dbraw/zinc/25/28/45/285252845.db2.gz KUTANTXPSWQTRB-NVXWUHKLSA-N 3 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347931210 285252851 /nfs/dbraw/zinc/25/28/51/285252851.db2.gz KUTANTXPSWQTRB-NVXWUHKLSA-N 3 1 304.482 2.824 20 0 DFADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423470198 296418987 /nfs/dbraw/zinc/41/89/87/296418987.db2.gz GOTDQWXPUQRABJ-BXUZGUMPSA-N 2 1 314.351 2.656 20 0 DFADMP C[C@H]([NH2+]CC(=O)NC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934876 285254961 /nfs/dbraw/zinc/25/49/61/285254961.db2.gz RQOPWDZFTZTZAF-HOTGVXAUSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@H]([NH2+]CC(=O)NC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934876 285254965 /nfs/dbraw/zinc/25/49/65/285254965.db2.gz RQOPWDZFTZTZAF-HOTGVXAUSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347940095 285258655 /nfs/dbraw/zinc/25/86/55/285258655.db2.gz XENLFRSMQURWND-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(-n2cccn2)cc1 ZINC000423487531 296421362 /nfs/dbraw/zinc/42/13/62/296421362.db2.gz VLBOIMPWCVYHNL-ZFWWWQNUSA-N 2 1 320.387 2.768 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(F)cn1 ZINC000423491266 296421674 /nfs/dbraw/zinc/42/16/74/296421674.db2.gz ZVLOVGRVCPAJAN-BXUZGUMPSA-N 2 1 301.356 2.752 20 0 DFADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCS2 ZINC000423493037 296421741 /nfs/dbraw/zinc/42/17/41/296421741.db2.gz PHALKZILORYXIC-ZBFHGGJFSA-N 2 1 306.475 2.808 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000423511917 296424242 /nfs/dbraw/zinc/42/42/42/296424242.db2.gz KOJYEMYQHHBDJL-FZMZJTMJSA-N 2 1 318.339 2.614 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423529170 296426498 /nfs/dbraw/zinc/42/64/98/296426498.db2.gz OBXWMHRPKMDSPQ-ROUUACIJSA-N 2 1 308.441 2.880 20 0 DFADMP COc1ccccc1C[C@H](C)[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000423528615 296426688 /nfs/dbraw/zinc/42/66/88/296426688.db2.gz NNGYFLHVDOKUSF-ZYSHUDEJSA-N 2 1 310.441 2.971 20 0 DFADMP C[NH+]1CCC([NH2+]CCCCC(=O)OCc2ccccc2)CC1 ZINC000120672715 195213327 /nfs/dbraw/zinc/21/33/27/195213327.db2.gz PSAIWNJQEYYWLS-UHFFFAOYSA-N 2 1 304.434 2.584 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000120801082 195240793 /nfs/dbraw/zinc/24/07/93/195240793.db2.gz UIOLLRAPUQZPBS-NEWSRXKRSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347991098 285287096 /nfs/dbraw/zinc/28/70/96/285287096.db2.gz BNVGWIOZVCZUGX-WDSOQIARSA-N 2 1 302.462 2.913 20 0 DFADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289486882 221012615 /nfs/dbraw/zinc/01/26/15/221012615.db2.gz YOHSEAMOXSNWAF-OLMNPRSZSA-N 2 1 323.431 2.784 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000289473675 221000830 /nfs/dbraw/zinc/00/08/30/221000830.db2.gz PRGZEDBZXMWPHP-UHFFFAOYSA-N 2 1 306.479 2.922 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000289473675 221000832 /nfs/dbraw/zinc/00/08/32/221000832.db2.gz PRGZEDBZXMWPHP-UHFFFAOYSA-N 2 1 306.479 2.922 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC(C)(C)CCC2(C)C)CC1 ZINC000625723454 399623236 /nfs/dbraw/zinc/62/32/36/399623236.db2.gz OZKXTUFOIRIRMF-UHFFFAOYSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1)C1CC1 ZINC000289478083 221003751 /nfs/dbraw/zinc/00/37/51/221003751.db2.gz HYRMMLIULRNYAQ-MOPGFXCFSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1)C1CC1 ZINC000289478083 221003754 /nfs/dbraw/zinc/00/37/54/221003754.db2.gz HYRMMLIULRNYAQ-MOPGFXCFSA-N 2 1 302.462 2.963 20 0 DFADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC(C)C ZINC000120925565 195264839 /nfs/dbraw/zinc/26/48/39/195264839.db2.gz WUSGHFFYFCMGPL-MRXNPFEDSA-N 2 1 306.450 2.866 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC(C)C ZINC000120925565 195264840 /nfs/dbraw/zinc/26/48/40/195264840.db2.gz WUSGHFFYFCMGPL-MRXNPFEDSA-N 2 1 306.450 2.866 20 0 DFADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)ccc1OC(C)C ZINC000120925565 195264843 /nfs/dbraw/zinc/26/48/43/195264843.db2.gz WUSGHFFYFCMGPL-MRXNPFEDSA-N 2 1 306.450 2.866 20 0 DFADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)ccc1OC(C)C ZINC000120925565 195264846 /nfs/dbraw/zinc/26/48/46/195264846.db2.gz WUSGHFFYFCMGPL-MRXNPFEDSA-N 2 1 306.450 2.866 20 0 DFADMP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289602839 221097213 /nfs/dbraw/zinc/09/72/13/221097213.db2.gz KXSHVIMYEHBHLY-SJPCQFCGSA-N 2 1 311.429 2.997 20 0 DFADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289602839 221097214 /nfs/dbraw/zinc/09/72/14/221097214.db2.gz KXSHVIMYEHBHLY-SJPCQFCGSA-N 2 1 311.429 2.997 20 0 DFADMP C[NH+](Cc1cc2ccccc2[nH]c1=O)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289602839 221097216 /nfs/dbraw/zinc/09/72/16/221097216.db2.gz KXSHVIMYEHBHLY-SJPCQFCGSA-N 2 1 311.429 2.997 20 0 DFADMP C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000629512867 399629962 /nfs/dbraw/zinc/62/99/62/399629962.db2.gz FYTQNTQZYOZZIC-CQROYNQRSA-N 2 1 314.351 2.509 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289754909 221203803 /nfs/dbraw/zinc/20/38/03/221203803.db2.gz MTGSATYBGXIEAF-OAHLLOKOSA-N 2 1 301.434 2.854 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1nccc2ccccc21 ZINC000289754909 221203805 /nfs/dbraw/zinc/20/38/05/221203805.db2.gz MTGSATYBGXIEAF-OAHLLOKOSA-N 2 1 301.434 2.854 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)C[C@@H]12 ZINC000629520211 399634312 /nfs/dbraw/zinc/63/43/12/399634312.db2.gz UOZDJZWDIWJSLR-DJSGYFEHSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)C[C@@H]12 ZINC000629520211 399634314 /nfs/dbraw/zinc/63/43/14/399634314.db2.gz UOZDJZWDIWJSLR-DJSGYFEHSA-N 2 1 301.365 2.650 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)ccc1SC ZINC000629520327 399633852 /nfs/dbraw/zinc/63/38/52/399633852.db2.gz GKJGCDFZDYLCKS-GFCCVEGCSA-N 2 1 310.463 2.576 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000289835048 221257081 /nfs/dbraw/zinc/25/70/81/221257081.db2.gz PNKQPFQCLOPMOT-OAHLLOKOSA-N 2 1 321.465 2.594 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000289835048 221257085 /nfs/dbraw/zinc/25/70/85/221257085.db2.gz PNKQPFQCLOPMOT-OAHLLOKOSA-N 2 1 321.465 2.594 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(COCCOC)cc2)[C@H](C)C1 ZINC000289876964 221287658 /nfs/dbraw/zinc/28/76/58/221287658.db2.gz WYWCZQVJIJAHHW-VQIMIIECSA-N 2 1 320.477 2.670 20 0 DFADMP COCCOCc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000289890939 221295060 /nfs/dbraw/zinc/29/50/60/221295060.db2.gz XWBBDAKLLRJMNF-UHFFFAOYSA-N 2 1 317.433 2.534 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)[C@@H](C)c1ccc(OC)c(OC)c1 ZINC000629528032 399636043 /nfs/dbraw/zinc/63/60/43/399636043.db2.gz NBRJRTIIMRVOCF-LUYZLQTOSA-N 2 1 306.450 2.926 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629527409 399636856 /nfs/dbraw/zinc/63/68/56/399636856.db2.gz VCSDLLAHXSHYGU-WZGPROSRSA-N 2 1 301.478 2.627 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629527408 399636917 /nfs/dbraw/zinc/63/69/17/399636917.db2.gz VCSDLLAHXSHYGU-OQIJWPOYSA-N 2 1 301.478 2.627 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000629527540 399636925 /nfs/dbraw/zinc/63/69/25/399636925.db2.gz YDAGVOPUHIEAKP-LJDSDSDDSA-N 2 1 313.489 2.912 20 0 DFADMP CN(CC[N@H+](C)Cc1cc(Cl)cs1)C1CC[NH+](C)CC1 ZINC000289960764 221344960 /nfs/dbraw/zinc/34/49/60/221344960.db2.gz YKZRQLOONXWTCJ-UHFFFAOYSA-N 2 1 315.914 2.859 20 0 DFADMP CN(CC[N@@H+](C)Cc1cc(Cl)cs1)C1CC[NH+](C)CC1 ZINC000289960764 221344963 /nfs/dbraw/zinc/34/49/63/221344963.db2.gz YKZRQLOONXWTCJ-UHFFFAOYSA-N 2 1 315.914 2.859 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1ccc(Br)nc1 ZINC000289991333 221366026 /nfs/dbraw/zinc/36/60/26/221366026.db2.gz YIRSDKJIAOGKJA-WDEREUQCSA-N 2 1 300.244 2.835 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000289974210 221354163 /nfs/dbraw/zinc/35/41/63/221354163.db2.gz XNHLZRBUVQGASI-RYUDHWBXSA-N 2 1 324.266 2.979 20 0 DFADMP Brc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000624358045 399652855 /nfs/dbraw/zinc/65/28/55/399652855.db2.gz USHIYEMMGXUCMJ-SECBINFHSA-N 2 1 312.236 2.812 20 0 DFADMP Brc1csc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000624357785 399653074 /nfs/dbraw/zinc/65/30/74/399653074.db2.gz HRKXQGSQPQUWFH-JTQLQIEISA-N 2 1 312.236 2.812 20 0 DFADMP CC(C)Oc1ccc(C[N@@H+](C)CCOCC[NH3+])cc1Cl ZINC000629581136 399653484 /nfs/dbraw/zinc/65/34/84/399653484.db2.gz OFYBCEVFMZFZEE-UHFFFAOYSA-N 2 1 300.830 2.534 20 0 DFADMP C/C=C/C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595239 399659071 /nfs/dbraw/zinc/65/90/71/399659071.db2.gz LLHQKNCPLQVKMA-OUCJIUAGSA-N 2 1 302.462 2.596 20 0 DFADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)C1CCCCC1 ZINC000617344213 399669792 /nfs/dbraw/zinc/66/97/92/399669792.db2.gz DDDGDVFUSQHURI-HNNXBMFYSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)C1CCCCC1 ZINC000617344213 399669796 /nfs/dbraw/zinc/66/97/96/399669796.db2.gz DDDGDVFUSQHURI-HNNXBMFYSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)C1CCCCC1 ZINC000617344213 399669800 /nfs/dbraw/zinc/66/98/00/399669800.db2.gz DDDGDVFUSQHURI-HNNXBMFYSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000629544940 399642580 /nfs/dbraw/zinc/64/25/80/399642580.db2.gz OEWJXLRZLGUCJI-LFAQGZIKSA-N 2 1 313.489 2.627 20 0 DFADMP CC[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000629545468 399642877 /nfs/dbraw/zinc/64/28/77/399642877.db2.gz HQHYICOHSHIDON-HOTGVXAUSA-N 2 1 319.840 2.707 20 0 DFADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000629545489 399643094 /nfs/dbraw/zinc/64/30/94/399643094.db2.gz BUKOUSJYWJYYDK-UHFFFAOYSA-N 2 1 316.493 2.912 20 0 DFADMP CCCc1ccc([C@@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000629547332 399643842 /nfs/dbraw/zinc/64/38/42/399643842.db2.gz MRDAIRGRJHPTEF-KDOFPFPSSA-N 2 1 313.449 2.616 20 0 DFADMP Cc1cc(C)c([C@@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1C ZINC000629549933 399644900 /nfs/dbraw/zinc/64/49/00/399644900.db2.gz XOCDVYYCSNXNSO-WBVHZDCISA-N 2 1 313.449 2.589 20 0 DFADMP [NH3+]CCC[N@H+]1CC[C@@H](Sc2ccc(Br)cc2)C1 ZINC000629549648 399645107 /nfs/dbraw/zinc/64/51/07/399645107.db2.gz KVMOECIIUYIXAU-CYBMUJFWSA-N 2 1 315.280 2.964 20 0 DFADMP Cc1cc(C)c([C@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1C ZINC000629549932 399645387 /nfs/dbraw/zinc/64/53/87/399645387.db2.gz XOCDVYYCSNXNSO-RDJZCZTQSA-N 2 1 313.449 2.589 20 0 DFADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561992 399650515 /nfs/dbraw/zinc/65/05/15/399650515.db2.gz KWKQZSBBNOSIMB-KBPBESRZSA-N 2 1 315.383 2.712 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561992 399650519 /nfs/dbraw/zinc/65/05/19/399650519.db2.gz KWKQZSBBNOSIMB-KBPBESRZSA-N 2 1 315.383 2.712 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629562865 399651315 /nfs/dbraw/zinc/65/13/15/399651315.db2.gz CVLIAGLPFUNMTE-SMDDNHRTSA-N 2 1 320.330 2.664 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@H]1C(F)(F)F ZINC000629562865 399651318 /nfs/dbraw/zinc/65/13/18/399651318.db2.gz CVLIAGLPFUNMTE-SMDDNHRTSA-N 2 1 320.330 2.664 20 0 DFADMP COc1ccc(CC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629569627 399652245 /nfs/dbraw/zinc/65/22/45/399652245.db2.gz YFLZGQLMJORHNO-HIFRSBDPSA-N 2 1 316.367 2.697 20 0 DFADMP COc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629569628 399652526 /nfs/dbraw/zinc/65/25/26/399652526.db2.gz YFLZGQLMJORHNO-UKRRQHHQSA-N 2 1 316.367 2.697 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1c(Cl)ccc2cccnc21 ZINC000629569287 399652610 /nfs/dbraw/zinc/65/26/10/399652610.db2.gz AXXTUPRJSASQPY-UHFFFAOYSA-N 2 1 307.825 2.556 20 0 DFADMP C[N@@H+](CCCc1c(Cl)cccc1Cl)CCOCC[NH3+] ZINC000629663242 399681384 /nfs/dbraw/zinc/68/13/84/399681384.db2.gz HXHAADFHPJEZJB-UHFFFAOYSA-N 2 1 305.249 2.833 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)c1ccccc1 ZINC000617351786 399674852 /nfs/dbraw/zinc/67/48/52/399674852.db2.gz PKLSVADIWOOJRS-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](C(C)(C)C)C1)c1ccccc1 ZINC000617351786 399674858 /nfs/dbraw/zinc/67/48/58/399674858.db2.gz PKLSVADIWOOJRS-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351786 399674863 /nfs/dbraw/zinc/67/48/63/399674863.db2.gz PKLSVADIWOOJRS-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351786 399674869 /nfs/dbraw/zinc/67/48/69/399674869.db2.gz PKLSVADIWOOJRS-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(F)cc(C(F)(F)F)c1 ZINC000629652763 399676493 /nfs/dbraw/zinc/67/64/93/399676493.db2.gz DVBRUJVHLADGCG-UHFFFAOYSA-N 2 1 308.319 2.512 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629654357 399676547 /nfs/dbraw/zinc/67/65/47/399676547.db2.gz HUMVOINEHIQLFT-KGLIPLIRSA-N 2 1 316.367 2.963 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1C ZINC000629654357 399676550 /nfs/dbraw/zinc/67/65/50/399676550.db2.gz HUMVOINEHIQLFT-KGLIPLIRSA-N 2 1 316.367 2.963 20 0 DFADMP Cn1ccnc1C[N@@H+](CCc1ccccc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262156553 257257441 /nfs/dbraw/zinc/25/74/41/257257441.db2.gz RYNUWPMGZGANTP-GOSISDBHSA-N 2 1 324.472 2.607 20 0 DFADMP CCC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088670594 542528824 /nfs/dbraw/zinc/52/88/24/542528824.db2.gz SOIDRABGOANWHZ-PXNSSMCTSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@@H]2C)CC1 ZINC000088670594 542528828 /nfs/dbraw/zinc/52/88/28/542528828.db2.gz SOIDRABGOANWHZ-PXNSSMCTSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)s1 ZINC000090526699 542537136 /nfs/dbraw/zinc/53/71/36/542537136.db2.gz TYJKVPGEBADKPJ-MAZHCROVSA-N 2 1 323.506 2.870 20 0 DFADMP CC(C)C[C@H]1COCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093340043 542553121 /nfs/dbraw/zinc/55/31/21/542553121.db2.gz SIZJAGCZDHBCJN-SFHVURJKSA-N 2 1 320.477 2.874 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000348112113 285357080 /nfs/dbraw/zinc/35/70/80/285357080.db2.gz VZMYPRDGDSPATM-OLZOCXBDSA-N 2 1 308.388 2.950 20 0 DFADMP CC(C)(C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCCC1 ZINC000348112115 285357100 /nfs/dbraw/zinc/35/71/00/285357100.db2.gz VZMYPRDGDSPATM-QWHCGFSZSA-N 2 1 308.388 2.950 20 0 DFADMP CCOc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000121078585 195290831 /nfs/dbraw/zinc/29/08/31/195290831.db2.gz HPWMXWROWCGRBQ-MRXNPFEDSA-N 2 1 320.477 2.610 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121644430 195323428 /nfs/dbraw/zinc/32/34/28/195323428.db2.gz HXNBYEVSMVPYOU-QGZVFWFLSA-N 2 1 304.434 2.564 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000124064409 195600508 /nfs/dbraw/zinc/60/05/08/195600508.db2.gz SZTUOMUUMFNKRE-GOSISDBHSA-N 2 1 316.445 2.920 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000124064409 195600509 /nfs/dbraw/zinc/60/05/09/195600509.db2.gz SZTUOMUUMFNKRE-GOSISDBHSA-N 2 1 316.445 2.920 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)nn1 ZINC000626063225 399742804 /nfs/dbraw/zinc/74/28/04/399742804.db2.gz WKIDIXHHZNOVDI-UHFFFAOYSA-N 2 1 314.433 2.569 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(OC)nn1 ZINC000626063225 399742807 /nfs/dbraw/zinc/74/28/07/399742807.db2.gz WKIDIXHHZNOVDI-UHFFFAOYSA-N 2 1 314.433 2.569 20 0 DFADMP CCc1ccc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)CC)CC2)cc1 ZINC000626086880 399749389 /nfs/dbraw/zinc/74/93/89/399749389.db2.gz UCZNCKGIKDJUID-IBGZPJMESA-N 2 1 304.478 2.741 20 0 DFADMP CCc1ccc(C2CC[NH+](C[C@@H](O)C[N@H+](C)CC)CC2)cc1 ZINC000626086880 399749392 /nfs/dbraw/zinc/74/93/92/399749392.db2.gz UCZNCKGIKDJUID-IBGZPJMESA-N 2 1 304.478 2.741 20 0 DFADMP C[C@@H](CCCCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295019889 533546031 /nfs/dbraw/zinc/54/60/31/533546031.db2.gz KNKAYKQDNLTACN-INIZCTEOSA-N 2 1 322.468 2.973 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)n(CCc2ccccc2)n1 ZINC000621328409 399755063 /nfs/dbraw/zinc/75/50/63/399755063.db2.gz QTSZOIBYYJXHGE-SFHVURJKSA-N 2 1 324.472 2.700 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)n(CCc2ccccc2)n1 ZINC000621328409 399755069 /nfs/dbraw/zinc/75/50/69/399755069.db2.gz QTSZOIBYYJXHGE-SFHVURJKSA-N 2 1 324.472 2.700 20 0 DFADMP Cc1cc(C2([NH2+]CCCCn3cc[nH+]c3C)CCOCC2)on1 ZINC000626128417 399764950 /nfs/dbraw/zinc/76/49/50/399764950.db2.gz WMDMRAAKBFGVGK-UHFFFAOYSA-N 2 1 318.421 2.564 20 0 DFADMP C[N@@H+](CC(=O)N1CCC[NH+](CC2CCCCC2)CC1)C1CCC1 ZINC000629951520 399765371 /nfs/dbraw/zinc/76/53/71/399765371.db2.gz WTJGWCZLDJMAIS-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CC(=O)N1CCC[N@H+](CC2CCCCC2)CC1)C1CCC1 ZINC000629951520 399765375 /nfs/dbraw/zinc/76/53/75/399765375.db2.gz WTJGWCZLDJMAIS-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)C1CCC1 ZINC000629951520 399765380 /nfs/dbraw/zinc/76/53/80/399765380.db2.gz WTJGWCZLDJMAIS-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000629946857 399763185 /nfs/dbraw/zinc/76/31/85/399763185.db2.gz BGEHWJLSOAKLNJ-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP C[N@@H+](CC(=O)N1CCC(C[NH+]2CCCCCC2)CC1)C1CCC1 ZINC000629949205 399764180 /nfs/dbraw/zinc/76/41/80/399764180.db2.gz XECPWVPDZDNQDZ-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CCC1 ZINC000629958931 399768605 /nfs/dbraw/zinc/76/86/05/399768605.db2.gz XSHCILDECUCPAO-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cncnc2)CC1 ZINC000130904743 542634008 /nfs/dbraw/zinc/63/40/08/542634008.db2.gz MLUBPKDHDMUIIZ-UHFFFAOYSA-N 2 1 310.445 2.821 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)CC2 ZINC000132999240 542645044 /nfs/dbraw/zinc/64/50/44/542645044.db2.gz KMTSRQKNBHXAOL-KUHUBIRLSA-N 2 1 318.436 2.904 20 0 DFADMP Cc1ccccc1[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC000629990564 399784609 /nfs/dbraw/zinc/78/46/09/399784609.db2.gz CTGCDPNDJIQARQ-BEFAXECRSA-N 2 1 317.477 2.587 20 0 DFADMP CCOc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000603517338 399786492 /nfs/dbraw/zinc/78/64/92/399786492.db2.gz PSCVVRZMGLENRE-LJQANCHMSA-N 2 1 318.461 2.818 20 0 DFADMP c1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166141095 542750646 /nfs/dbraw/zinc/75/06/46/542750646.db2.gz OLPATJPZOGZTAC-RBUKOAKNSA-N 2 1 314.473 2.951 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000424244947 296495177 /nfs/dbraw/zinc/49/51/77/296495177.db2.gz RJEGYRQJGCBFIH-UHFFFAOYSA-N 2 1 300.406 2.802 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268938308 542961373 /nfs/dbraw/zinc/96/13/73/542961373.db2.gz SJQLKUSBJAEBMX-IJCBKZNRSA-N 2 1 300.446 2.807 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268938308 542961374 /nfs/dbraw/zinc/96/13/74/542961374.db2.gz SJQLKUSBJAEBMX-IJCBKZNRSA-N 2 1 300.446 2.807 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268938307 542961622 /nfs/dbraw/zinc/96/16/22/542961622.db2.gz SJQLKUSBJAEBMX-FTWQHDNSSA-N 2 1 300.446 2.807 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268938307 542961626 /nfs/dbraw/zinc/96/16/26/542961626.db2.gz SJQLKUSBJAEBMX-FTWQHDNSSA-N 2 1 300.446 2.807 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000271288540 542965408 /nfs/dbraw/zinc/96/54/08/542965408.db2.gz BPCHJFNVCBMWFT-RTBURBONSA-N 2 1 317.477 2.923 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937624 542974922 /nfs/dbraw/zinc/97/49/22/542974922.db2.gz SFHCTXWUQAZYNR-NLNMYJFZSA-N 2 1 300.446 2.807 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444789 542982353 /nfs/dbraw/zinc/98/23/53/542982353.db2.gz HUYOHVUEWMIQKR-KBXCAEBGSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444789 542982354 /nfs/dbraw/zinc/98/23/54/542982354.db2.gz HUYOHVUEWMIQKR-KBXCAEBGSA-N 2 1 306.425 2.904 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCCC1 ZINC000289333061 543006794 /nfs/dbraw/zinc/00/67/94/543006794.db2.gz VWPIAPFMTFFEKP-KSSFIOAISA-N 2 1 313.445 2.592 20 0 DFADMP OC1CC[NH+](CCC[NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000293477169 543020282 /nfs/dbraw/zinc/02/02/82/543020282.db2.gz FMUFJTSRFUOYKT-UHFFFAOYSA-N 2 1 302.462 2.891 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CC[N@H+]1C ZINC000293768087 543020456 /nfs/dbraw/zinc/02/04/56/543020456.db2.gz RWKKAVCTVJFTMK-YPMHNXCESA-N 2 1 301.356 2.715 20 0 DFADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617929290 399839182 /nfs/dbraw/zinc/83/91/82/399839182.db2.gz FWKBVYSQXMPFEF-OAHLLOKOSA-N 2 1 321.465 2.678 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)s1 ZINC000305772483 543061198 /nfs/dbraw/zinc/06/11/98/543061198.db2.gz TYJKVPGEBADKPJ-VBNZEHGJSA-N 2 1 323.506 2.870 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCCC1 ZINC000305881536 543063849 /nfs/dbraw/zinc/06/38/49/543063849.db2.gz VHBHUKFDBPXINI-GUDVDZBRSA-N 2 1 314.473 2.792 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000328264100 543095823 /nfs/dbraw/zinc/09/58/23/543095823.db2.gz NUVIVHHSGYSDOX-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000328264100 543095828 /nfs/dbraw/zinc/09/58/28/543095828.db2.gz NUVIVHHSGYSDOX-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000328264100 543095830 /nfs/dbraw/zinc/09/58/30/543095830.db2.gz NUVIVHHSGYSDOX-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CCCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000328264100 543095837 /nfs/dbraw/zinc/09/58/37/543095837.db2.gz NUVIVHHSGYSDOX-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOC3CCOCC3)C2)CC1 ZINC000625118480 399847977 /nfs/dbraw/zinc/84/79/77/399847977.db2.gz MCEVWAOWQGTAQR-GOSISDBHSA-N 2 1 324.509 2.626 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOC3CCOCC3)C2)CC1 ZINC000625118480 399847979 /nfs/dbraw/zinc/84/79/79/399847979.db2.gz MCEVWAOWQGTAQR-GOSISDBHSA-N 2 1 324.509 2.626 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cncnc2)C[N@H+]1Cc1ccccc1 ZINC000338195238 543135140 /nfs/dbraw/zinc/13/51/40/543135140.db2.gz MFKCAAFZUMESKZ-FUHWJXTLSA-N 2 1 310.445 2.867 20 0 DFADMP c1cn(Cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cn1 ZINC000339066655 543139605 /nfs/dbraw/zinc/13/96/05/543139605.db2.gz CPDLACUFRUNJRR-OALUTQOASA-N 2 1 310.445 2.648 20 0 DFADMP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000339073802 543139672 /nfs/dbraw/zinc/13/96/72/543139672.db2.gz FHLCNCKSJPJQCC-SUMDDJOVSA-N 2 1 317.452 2.868 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000339234696 543142063 /nfs/dbraw/zinc/14/20/63/543142063.db2.gz UVHGBRURJWXRIV-LSDHHAIUSA-N 2 1 323.506 2.732 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCCC[C@H]1CCO ZINC000342826656 543164725 /nfs/dbraw/zinc/16/47/25/543164725.db2.gz TYVVJZVBHGHAPT-KRWDZBQOSA-N 2 1 314.433 2.703 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348072277 543182954 /nfs/dbraw/zinc/18/29/54/543182954.db2.gz AEKVLLJQOOLJRM-RBUKOAKNSA-N 2 1 300.446 2.797 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348107904 543183644 /nfs/dbraw/zinc/18/36/44/543183644.db2.gz JOCJJEHHNNLSSP-YRPNKDGESA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348107904 543183646 /nfs/dbraw/zinc/18/36/46/543183646.db2.gz JOCJJEHHNNLSSP-YRPNKDGESA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H](CC[N@H+](C)C[C@H]1CCCCO1)[NH+](C)C[C@@H]1CCCCO1 ZINC000348265080 543184139 /nfs/dbraw/zinc/18/41/39/543184139.db2.gz CRXIDGUVPVQLJE-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[N@@H+](C)C[C@H]1CCCCO1)[NH+](C)C[C@@H]1CCCCO1 ZINC000348265080 543184141 /nfs/dbraw/zinc/18/41/41/543184141.db2.gz CRXIDGUVPVQLJE-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+](C)C[C@H]1CCCCO1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000348265080 543184142 /nfs/dbraw/zinc/18/41/42/543184142.db2.gz CRXIDGUVPVQLJE-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+](C)C[C@H]1CCCCO1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000348265080 543184144 /nfs/dbraw/zinc/18/41/44/543184144.db2.gz CRXIDGUVPVQLJE-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000351606504 543226095 /nfs/dbraw/zinc/22/60/95/543226095.db2.gz TYKWXSOORWXHLO-SJORKVTESA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000351606504 543226097 /nfs/dbraw/zinc/22/60/97/543226097.db2.gz TYKWXSOORWXHLO-SJORKVTESA-N 2 1 308.441 2.958 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000352845363 543232446 /nfs/dbraw/zinc/23/24/46/543232446.db2.gz IGOYPMNNHZLPQI-RDJZCZTQSA-N 2 1 321.509 2.511 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353681114 543237625 /nfs/dbraw/zinc/23/76/25/543237625.db2.gz ADVFDIHXRAXFLE-IYWMVGAKSA-N 2 1 316.489 2.690 20 0 DFADMP CCn1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000383737201 543299018 /nfs/dbraw/zinc/29/90/18/543299018.db2.gz XKYPJBSXJPJKFT-MISYRCLQSA-N 2 1 324.472 2.903 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378903937 543296921 /nfs/dbraw/zinc/29/69/21/543296921.db2.gz YDHJRXOGGUEBHV-YUTCNCBUSA-N 2 1 300.406 2.546 20 0 DFADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[C@H](O)C1 ZINC000390821448 543306927 /nfs/dbraw/zinc/30/69/27/543306927.db2.gz YTJPFTXGZHGPKD-AQNXPRMDSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc(C[NH3+])cc1 ZINC000165112166 145229111 /nfs/dbraw/zinc/22/91/11/145229111.db2.gz VUWBBPCRUQOHCL-HNNXBMFYSA-N 2 1 303.450 2.530 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170915559 145256090 /nfs/dbraw/zinc/25/60/90/145256090.db2.gz PMPULUNCFLUGQH-INIZCTEOSA-N 2 1 317.477 2.629 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C2CC2)CC1 ZINC000170968113 145256710 /nfs/dbraw/zinc/25/67/10/145256710.db2.gz KTFNXCPCQHGLPR-UHFFFAOYSA-N 2 1 309.498 2.585 20 0 DFADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)s1 ZINC000171589243 145272006 /nfs/dbraw/zinc/27/20/06/145272006.db2.gz AXYASNYQGMAXNI-ZDUSSCGKSA-N 2 1 310.507 2.890 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000414791987 543327395 /nfs/dbraw/zinc/32/73/95/543327395.db2.gz BSRVYOYZWCCOJG-CQSZACIVSA-N 2 1 320.234 2.824 20 0 DFADMP CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@H]1CC1(C)C ZINC000417312396 543334756 /nfs/dbraw/zinc/33/47/56/543334756.db2.gz NOZWKZHLLIVDCU-SJORKVTESA-N 2 1 323.525 2.734 20 0 DFADMP [NH3+][C@H]1CCC[C@@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630513543 399897131 /nfs/dbraw/zinc/89/71/31/399897131.db2.gz ODQRIVXOKDFMLV-JKSUJKDBSA-N 2 1 309.417 2.679 20 0 DFADMP C[NH2+]CCOCCNc1cc[nH+]c2cc(Br)ccc12 ZINC000630530015 399899171 /nfs/dbraw/zinc/89/91/71/399899171.db2.gz FQNLHGMHOSOICW-UHFFFAOYSA-N 2 1 324.222 2.645 20 0 DFADMP CCC1([NH+]2CCCC2)CCN(C(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000633955031 399965237 /nfs/dbraw/zinc/96/52/37/399965237.db2.gz LYCPYGKMWPWVKK-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1oc2ccccc2c1Cl ZINC000631067481 399973709 /nfs/dbraw/zinc/97/37/09/399973709.db2.gz MWWNZYLEPGTIJM-CYBMUJFWSA-N 2 1 321.852 2.812 20 0 DFADMP COc1ccccc1N1CCC([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000631069282 399973994 /nfs/dbraw/zinc/97/39/94/399973994.db2.gz SDUYCGUDSADJSC-INIZCTEOSA-N 2 1 317.477 2.595 20 0 DFADMP Cc1scc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1C ZINC000631074508 399975242 /nfs/dbraw/zinc/97/52/42/399975242.db2.gz FAVVDWBLMXCQAD-HNNXBMFYSA-N 2 1 308.491 2.955 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+]3[C@H](C)CC[C@H]3C)C2)CC[N@H+]1C ZINC000630853201 399939402 /nfs/dbraw/zinc/93/94/02/399939402.db2.gz SBECENJVEVTEHT-DFBDCSAJSA-N 2 1 321.509 2.581 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000628454279 400032647 /nfs/dbraw/zinc/03/26/47/400032647.db2.gz CSKKAOIZRACEMS-SJLPKXTDSA-N 2 1 318.465 2.510 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000634120084 399984938 /nfs/dbraw/zinc/98/49/38/399984938.db2.gz FSXIVWGVDOYYBN-QGZVFWFLSA-N 2 1 317.477 2.622 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000631139885 399988314 /nfs/dbraw/zinc/98/83/14/399988314.db2.gz WOQTTWYEKKOOJL-INIZCTEOSA-N 2 1 319.493 2.982 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000631139885 399988317 /nfs/dbraw/zinc/98/83/17/399988317.db2.gz WOQTTWYEKKOOJL-INIZCTEOSA-N 2 1 319.493 2.982 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000631157695 399992269 /nfs/dbraw/zinc/99/22/69/399992269.db2.gz FJNXZCVWMJHPAY-CYBMUJFWSA-N 2 1 310.413 2.664 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)s1 ZINC000631179215 399997397 /nfs/dbraw/zinc/99/73/97/399997397.db2.gz PQZHELNJFQOERS-HNNXBMFYSA-N 2 1 323.506 2.544 20 0 DFADMP COCCc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)s1 ZINC000631179215 399997399 /nfs/dbraw/zinc/99/73/99/399997399.db2.gz PQZHELNJFQOERS-HNNXBMFYSA-N 2 1 323.506 2.544 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(F)c(F)c2N(C)C)CC[N@H+]1C ZINC000628183777 399997422 /nfs/dbraw/zinc/99/74/22/399997422.db2.gz MXZJNYXREVRBIR-OCCSQVGLSA-N 2 1 311.420 2.945 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000631195253 400000694 /nfs/dbraw/zinc/00/06/94/400000694.db2.gz VGQKDFWGFARKEI-APWZRJJASA-N 2 1 324.472 2.687 20 0 DFADMP CCn1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195322 400000817 /nfs/dbraw/zinc/00/08/17/400000817.db2.gz FEBVXIWLSALHAZ-FUHWJXTLSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195322 400000819 /nfs/dbraw/zinc/00/08/19/400000819.db2.gz FEBVXIWLSALHAZ-FUHWJXTLSA-N 2 1 312.461 2.761 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@H](C)O1 ZINC000631195705 400000831 /nfs/dbraw/zinc/00/08/31/400000831.db2.gz ZXMPXWDZNOOJRZ-CTRAYCPCSA-N 2 1 302.462 2.910 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631194927 400000903 /nfs/dbraw/zinc/00/09/03/400000903.db2.gz SEWRAECUKMDJPX-YJBOKZPZSA-N 2 1 311.429 2.645 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000631196062 400001323 /nfs/dbraw/zinc/00/13/23/400001323.db2.gz NKDSKDLNRNAYNV-VQIMIIECSA-N 2 1 300.446 2.691 20 0 DFADMP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195834 400001571 /nfs/dbraw/zinc/00/15/71/400001571.db2.gz KNTHPZZGIUXPFM-KBXCAEBGSA-N 2 1 312.461 2.884 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000631198434 400002139 /nfs/dbraw/zinc/00/21/39/400002139.db2.gz QMJLFEGNJMLOHR-OKZBNKHCSA-N 2 1 300.446 2.544 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000631198434 400002142 /nfs/dbraw/zinc/00/21/42/400002142.db2.gz QMJLFEGNJMLOHR-OKZBNKHCSA-N 2 1 300.446 2.544 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000628217296 400003424 /nfs/dbraw/zinc/00/34/24/400003424.db2.gz ROTHRRWALQOLBN-MJGOQNOKSA-N 2 1 304.478 2.925 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258872 400013946 /nfs/dbraw/zinc/01/39/46/400013946.db2.gz DIHJJAYGNWGICZ-SLFFLAALSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258872 400013947 /nfs/dbraw/zinc/01/39/47/400013947.db2.gz DIHJJAYGNWGICZ-SLFFLAALSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258872 400013950 /nfs/dbraw/zinc/01/39/50/400013950.db2.gz DIHJJAYGNWGICZ-SLFFLAALSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258872 400013953 /nfs/dbraw/zinc/01/39/53/400013953.db2.gz DIHJJAYGNWGICZ-SLFFLAALSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(CN2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258872 400013955 /nfs/dbraw/zinc/01/39/55/400013955.db2.gz DIHJJAYGNWGICZ-SLFFLAALSA-N 2 1 313.489 2.786 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCCC[NH+](C)C1)c1ccccc1 ZINC000628757221 400054024 /nfs/dbraw/zinc/05/40/24/400054024.db2.gz ZZNVCVDGINIBJR-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628757221 400054025 /nfs/dbraw/zinc/05/40/25/400054025.db2.gz ZZNVCVDGINIBJR-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628757221 400054026 /nfs/dbraw/zinc/05/40/26/400054026.db2.gz ZZNVCVDGINIBJR-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@H]2CCCO2)CC1 ZINC000631581016 400054434 /nfs/dbraw/zinc/05/44/34/400054434.db2.gz DSWQMHIGVBICFI-IPMKNSEASA-N 2 1 322.493 2.567 20 0 DFADMP C[C@@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](CCO)CC1 ZINC000631610001 400057929 /nfs/dbraw/zinc/05/79/29/400057929.db2.gz OAVJZPJJYXCWLN-HNNXBMFYSA-N 2 1 315.461 2.535 20 0 DFADMP C1CC2(C1)[C@H]([NH2+][C@H]1CC[N@@H+](C3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631646444 400061620 /nfs/dbraw/zinc/06/16/20/400061620.db2.gz LVGIOHXMXDPYIG-OWLYRPNTSA-N 2 1 304.478 2.941 20 0 DFADMP C1CC2(C1)[C@H]([NH2+][C@H]1CC[N@H+](C3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631646444 400061622 /nfs/dbraw/zinc/06/16/22/400061622.db2.gz LVGIOHXMXDPYIG-OWLYRPNTSA-N 2 1 304.478 2.941 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000631662955 400063662 /nfs/dbraw/zinc/06/36/62/400063662.db2.gz GVTZSXBYMZSYSC-SOLBZPMBSA-N 2 1 312.461 2.839 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000631662955 400063664 /nfs/dbraw/zinc/06/36/64/400063664.db2.gz GVTZSXBYMZSYSC-SOLBZPMBSA-N 2 1 312.461 2.839 20 0 DFADMP CC1(C)CCC[C@](O)(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000631681476 400065566 /nfs/dbraw/zinc/06/55/66/400065566.db2.gz ZHNZABMOBYZXNS-IEBWSBKVSA-N 2 1 324.509 2.551 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@H](O)C(F)F)cc1 ZINC000631697726 400067892 /nfs/dbraw/zinc/06/78/92/400067892.db2.gz OZYILYSGCNNSOI-ABAIWWIYSA-N 2 1 309.360 2.847 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)cc1 ZINC000631750040 400072321 /nfs/dbraw/zinc/07/23/21/400072321.db2.gz YBQKFDARVRYHOF-WDSOQIARSA-N 2 1 301.478 2.642 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cc1 ZINC000631750040 400072322 /nfs/dbraw/zinc/07/23/22/400072322.db2.gz YBQKFDARVRYHOF-WDSOQIARSA-N 2 1 301.478 2.642 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+](C)[C@@H](C)C3)C2)cc1 ZINC000631750040 400072324 /nfs/dbraw/zinc/07/23/24/400072324.db2.gz YBQKFDARVRYHOF-WDSOQIARSA-N 2 1 301.478 2.642 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631837260 400078736 /nfs/dbraw/zinc/07/87/36/400078736.db2.gz PWDKPQQCEDUESS-CRAIPNDOSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631837260 400078737 /nfs/dbraw/zinc/07/87/37/400078737.db2.gz PWDKPQQCEDUESS-CRAIPNDOSA-N 2 1 311.429 2.687 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cn1 ZINC000190700525 145863071 /nfs/dbraw/zinc/86/30/71/145863071.db2.gz VBGPQEZBUPGJLK-UHFFFAOYSA-N 2 1 304.482 2.749 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236799031 146027644 /nfs/dbraw/zinc/02/76/44/146027644.db2.gz RRXKFJYCNRIYSC-WBVHZDCISA-N 2 1 305.466 2.531 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000236854264 146030510 /nfs/dbraw/zinc/03/05/10/146030510.db2.gz YUMWHAHCRHZPJT-LJQANCHMSA-N 2 1 303.494 2.973 20 0 DFADMP O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@@H]1Cc2ccccc2CN1 ZINC000237993895 146056890 /nfs/dbraw/zinc/05/68/90/146056890.db2.gz WRYPBCALGXFKJH-KRWDZBQOSA-N 2 1 318.380 2.730 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421072 146068633 /nfs/dbraw/zinc/06/86/33/146068633.db2.gz HUIDGLBZSZIEHC-WMLDXEAASA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421072 146068635 /nfs/dbraw/zinc/06/86/35/146068635.db2.gz HUIDGLBZSZIEHC-WMLDXEAASA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)[C@@H](C)C1 ZINC000245421072 146068642 /nfs/dbraw/zinc/06/86/42/146068642.db2.gz HUIDGLBZSZIEHC-WMLDXEAASA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245421225 146069291 /nfs/dbraw/zinc/06/92/91/146069291.db2.gz HVGBMRVTLLPNBE-BBRMVZONSA-N 2 1 323.868 2.941 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443825 146072083 /nfs/dbraw/zinc/07/20/83/146072083.db2.gz XLMXENCNUHXQBY-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443825 146072085 /nfs/dbraw/zinc/07/20/85/146072085.db2.gz XLMXENCNUHXQBY-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000245854924 146105367 /nfs/dbraw/zinc/10/53/67/146105367.db2.gz HDJXZCYHHVSADQ-ROUUACIJSA-N 3 1 304.482 2.860 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCn2ccnc2)C1 ZINC000245854924 146105368 /nfs/dbraw/zinc/10/53/68/146105368.db2.gz HDJXZCYHHVSADQ-ROUUACIJSA-N 3 1 304.482 2.860 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCn2ccnc2)C1 ZINC000245854924 146105370 /nfs/dbraw/zinc/10/53/70/146105370.db2.gz HDJXZCYHHVSADQ-ROUUACIJSA-N 3 1 304.482 2.860 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000245970091 146112438 /nfs/dbraw/zinc/11/24/38/146112438.db2.gz FNAWGUXOMAYRKV-LJQANCHMSA-N 2 1 301.478 2.755 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1ccccc1)C1CC1 ZINC000246089113 146118944 /nfs/dbraw/zinc/11/89/44/146118944.db2.gz NNPYUYOJYWUYGZ-RBUKOAKNSA-N 2 1 302.462 2.964 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000246289656 146136347 /nfs/dbraw/zinc/13/63/47/146136347.db2.gz KSRXYVPEWIMOJJ-WMLDXEAASA-N 2 1 318.465 2.552 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCCOC)c2)[C@@H](C)C1 ZINC000246596540 146144526 /nfs/dbraw/zinc/14/45/26/146144526.db2.gz ZUWLJUTXGMWZHV-QFBILLFUSA-N 2 1 320.477 2.922 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCCC3=O)c2)C1 ZINC000247144086 146163495 /nfs/dbraw/zinc/16/34/95/146163495.db2.gz SNZDXKJLJICYNC-CVEARBPZSA-N 2 1 315.461 2.806 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248886129 146174351 /nfs/dbraw/zinc/17/43/51/146174351.db2.gz MCBIZNMAKSZKKG-XCDZQEORSA-N 2 1 314.473 2.931 20 0 DFADMP C[C@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000249003957 146183233 /nfs/dbraw/zinc/18/32/33/146183233.db2.gz NNLAYFFXDGKXME-DNVCBOLYSA-N 2 1 302.462 2.922 20 0 DFADMP OCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000249045936 146184266 /nfs/dbraw/zinc/18/42/66/146184266.db2.gz VYIUQPGNHWPOJQ-LDLYASANSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)C1 ZINC000249059354 146185989 /nfs/dbraw/zinc/18/59/89/146185989.db2.gz ZOIBFLBFJRAZJC-ZCHBJMIBSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000249059354 146185993 /nfs/dbraw/zinc/18/59/93/146185993.db2.gz ZOIBFLBFJRAZJC-ZCHBJMIBSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249059354 146185996 /nfs/dbraw/zinc/18/59/96/146185996.db2.gz ZOIBFLBFJRAZJC-ZCHBJMIBSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000249059354 146186000 /nfs/dbraw/zinc/18/60/00/146186000.db2.gz ZOIBFLBFJRAZJC-ZCHBJMIBSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000249059354 146186004 /nfs/dbraw/zinc/18/60/04/146186004.db2.gz ZOIBFLBFJRAZJC-ZCHBJMIBSA-N 2 1 307.526 2.959 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)C(F)F ZINC000453272092 543371444 /nfs/dbraw/zinc/37/14/44/543371444.db2.gz RXTTXWHQEKTZFW-QXSJWSMHSA-N 2 1 312.404 2.816 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H](O)C(F)F ZINC000453272092 543371447 /nfs/dbraw/zinc/37/14/47/543371447.db2.gz RXTTXWHQEKTZFW-QXSJWSMHSA-N 2 1 312.404 2.816 20 0 DFADMP C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCCCC1 ZINC000249348523 146194041 /nfs/dbraw/zinc/19/40/41/146194041.db2.gz KBXLNPIXIHCMAY-HKUYNNGSSA-N 2 1 305.510 2.811 20 0 DFADMP C[C@@H](C(=O)NCCC[NH+]1CCCC[C@H]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249749638 146205739 /nfs/dbraw/zinc/20/57/39/146205739.db2.gz QBPHECZQDSFGSZ-NCOADZHNSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@@H](C(=O)NCCC[N@@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249749638 146205741 /nfs/dbraw/zinc/20/57/41/146205741.db2.gz QBPHECZQDSFGSZ-NCOADZHNSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249749638 146205743 /nfs/dbraw/zinc/20/57/43/146205743.db2.gz QBPHECZQDSFGSZ-NCOADZHNSA-N 2 1 309.498 2.628 20 0 DFADMP [NH3+][C@@H]1C[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261555150 146239760 /nfs/dbraw/zinc/23/97/60/146239760.db2.gz UUDHVEJSSMBFKT-AHRSYUTCSA-N 2 1 307.441 2.995 20 0 DFADMP CCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261556875 146240485 /nfs/dbraw/zinc/24/04/85/146240485.db2.gz WKXSYEJVGDTXQD-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261557893 146240883 /nfs/dbraw/zinc/24/08/83/146240883.db2.gz XUNGPLRXHAOUDC-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261557893 146240884 /nfs/dbraw/zinc/24/08/84/146240884.db2.gz XUNGPLRXHAOUDC-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261556791 146241017 /nfs/dbraw/zinc/24/10/17/146241017.db2.gz WIJCUNJWJCMWFT-VQIMIIECSA-N 2 1 301.478 2.771 20 0 DFADMP O=C(c1ccc(F)cc1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000261638452 146251487 /nfs/dbraw/zinc/25/14/87/146251487.db2.gz AATUOGBUEJKRFW-AWEZNQCLSA-N 2 1 304.409 2.720 20 0 DFADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261641495 146252446 /nfs/dbraw/zinc/25/24/46/146252446.db2.gz IQFQZJLRZGBPPL-TZMCWYRMSA-N 2 1 311.832 2.520 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000261707145 146263829 /nfs/dbraw/zinc/26/38/29/146263829.db2.gz MCIWCHHQZAASJM-AWEZNQCLSA-N 2 1 302.340 2.798 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261775936 146274598 /nfs/dbraw/zinc/27/45/98/146274598.db2.gz FAFQAHGXZBWDSR-KGLIPLIRSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261775936 146274602 /nfs/dbraw/zinc/27/46/02/146274602.db2.gz FAFQAHGXZBWDSR-KGLIPLIRSA-N 2 1 302.397 2.571 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2OCO3)C[C@H]1c1ccccc1 ZINC000261796374 146277188 /nfs/dbraw/zinc/27/71/88/146277188.db2.gz VMGNVCNGETUBTR-SJORKVTESA-N 2 1 310.397 2.590 20 0 DFADMP Cc1cccc2ncc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)n21 ZINC000261802508 146278825 /nfs/dbraw/zinc/27/88/25/146278825.db2.gz VYOWQVQLJTXEJE-MJGOQNOKSA-N 2 1 320.440 2.817 20 0 DFADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000261808389 146279881 /nfs/dbraw/zinc/27/98/81/146279881.db2.gz GDKSBAVCXHACKN-RBUKOAKNSA-N 2 1 323.440 2.592 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC(F)F ZINC000261819794 146282502 /nfs/dbraw/zinc/28/25/02/146282502.db2.gz AOISRCBRMJAKAM-AAEUAGOBSA-N 2 1 314.376 2.856 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)ccc1OC(F)F ZINC000261819794 146282505 /nfs/dbraw/zinc/28/25/05/146282505.db2.gz AOISRCBRMJAKAM-AAEUAGOBSA-N 2 1 314.376 2.856 20 0 DFADMP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261845109 146287090 /nfs/dbraw/zinc/28/70/90/146287090.db2.gz AQJXGWLXPGALRB-KZNAEPCWSA-N 2 1 314.429 2.722 20 0 DFADMP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261843316 146287131 /nfs/dbraw/zinc/28/71/31/146287131.db2.gz AQJXGWLXPGALRB-KSZLIROESA-N 2 1 314.429 2.722 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261898675 146297961 /nfs/dbraw/zinc/29/79/61/146297961.db2.gz ONYPWSCHPJTLBO-YESZJQIVSA-N 2 1 315.461 2.610 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261898675 146297964 /nfs/dbraw/zinc/29/79/64/146297964.db2.gz ONYPWSCHPJTLBO-YESZJQIVSA-N 2 1 315.461 2.610 20 0 DFADMP CCN(C[C@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261909160 146300500 /nfs/dbraw/zinc/30/05/00/146300500.db2.gz XTBROZYCHWGAMW-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261925859 146302555 /nfs/dbraw/zinc/30/25/55/146302555.db2.gz LAQLLHGVMCTSBT-CWFSZBLJSA-N 2 1 324.472 2.955 20 0 DFADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261926845 146302599 /nfs/dbraw/zinc/30/25/99/146302599.db2.gz LEBZTUZNRYFFSN-LULLPPNCSA-N 2 1 302.462 2.845 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261925869 146302612 /nfs/dbraw/zinc/30/26/12/146302612.db2.gz LAQLLHGVMCTSBT-YSSFQJQWSA-N 2 1 324.472 2.955 20 0 DFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261929637 146303986 /nfs/dbraw/zinc/30/39/86/146303986.db2.gz LKJRHZVGGIBABO-SJORKVTESA-N 3 1 312.461 2.809 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000261950938 146309271 /nfs/dbraw/zinc/30/92/71/146309271.db2.gz MXNSKWPDECOPQK-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000261950938 146309275 /nfs/dbraw/zinc/30/92/75/146309275.db2.gz MXNSKWPDECOPQK-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980821 146316013 /nfs/dbraw/zinc/31/60/13/146316013.db2.gz RHFQXEITOGOAOB-UONOGXRCSA-N 2 1 323.868 2.578 20 0 DFADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262016404 146321915 /nfs/dbraw/zinc/32/19/15/146321915.db2.gz MRZFVRHMBGVCRY-KRWDZBQOSA-N 2 1 316.836 2.916 20 0 DFADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262016404 146321918 /nfs/dbraw/zinc/32/19/18/146321918.db2.gz MRZFVRHMBGVCRY-KRWDZBQOSA-N 2 1 316.836 2.916 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000262021323 146323696 /nfs/dbraw/zinc/32/36/96/146323696.db2.gz YASCAKJKZNFQSP-AWEZNQCLSA-N 2 1 321.440 2.783 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000262018956 146323963 /nfs/dbraw/zinc/32/39/63/146323963.db2.gz MYZSKAIUSVNWHL-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000262018956 146323966 /nfs/dbraw/zinc/32/39/66/146323966.db2.gz MYZSKAIUSVNWHL-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2c(C)cccc2C)CC1 ZINC000262034838 146325162 /nfs/dbraw/zinc/32/51/62/146325162.db2.gz ZIBJELREDYIBRB-UHFFFAOYSA-N 2 1 303.450 2.563 20 0 DFADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@H+](CC(C)(C)[NH3+])C2)cc1 ZINC000262039446 146326047 /nfs/dbraw/zinc/32/60/47/146326047.db2.gz YEVPOURSWVTEIQ-OAHLLOKOSA-N 2 1 318.465 2.566 20 0 DFADMP Cc1ccc(NC(=O)NC[C@H]2CCC[N@@H+](CC(C)(C)[NH3+])C2)cc1 ZINC000262039446 146326050 /nfs/dbraw/zinc/32/60/50/146326050.db2.gz YEVPOURSWVTEIQ-OAHLLOKOSA-N 2 1 318.465 2.566 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C[C@@H]21 ZINC000262066706 146329965 /nfs/dbraw/zinc/32/99/65/146329965.db2.gz FOTIPAQSDPGYFY-VNHYZAJKSA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C[C@@H]21 ZINC000262066706 146329967 /nfs/dbraw/zinc/32/99/67/146329967.db2.gz FOTIPAQSDPGYFY-VNHYZAJKSA-N 2 1 322.836 2.670 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262080032 146331226 /nfs/dbraw/zinc/33/12/26/146331226.db2.gz DWSUORUTUODFGJ-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262080032 146331232 /nfs/dbraw/zinc/33/12/32/146331232.db2.gz DWSUORUTUODFGJ-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+]3CCC[NH2+]CC3)CCC2)c1 ZINC000262098293 146333199 /nfs/dbraw/zinc/33/31/99/146333199.db2.gz IJJRFSOCGRFSIJ-UHFFFAOYSA-N 2 1 318.461 2.677 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3CCC[NH2+]CC3)CCC2)c1 ZINC000262098293 146333202 /nfs/dbraw/zinc/33/32/02/146333202.db2.gz IJJRFSOCGRFSIJ-UHFFFAOYSA-N 2 1 318.461 2.677 20 0 DFADMP FC(F)(F)COc1ccccc1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262109364 146334607 /nfs/dbraw/zinc/33/46/07/146334607.db2.gz WHQMPQCNJVAVHY-HNNXBMFYSA-N 2 1 314.351 2.813 20 0 DFADMP FC(F)(F)COc1ccccc1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262109364 146334610 /nfs/dbraw/zinc/33/46/10/146334610.db2.gz WHQMPQCNJVAVHY-HNNXBMFYSA-N 2 1 314.351 2.813 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000262323495 146351404 /nfs/dbraw/zinc/35/14/04/146351404.db2.gz RIUJWCNOTDMYOM-AAEUAGOBSA-N 2 1 314.376 2.856 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000262355325 146353321 /nfs/dbraw/zinc/35/33/21/146353321.db2.gz VRXJFBDHJJIOTQ-AAEUAGOBSA-N 2 1 314.376 2.856 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000262355327 146353417 /nfs/dbraw/zinc/35/34/17/146353417.db2.gz VRXJFBDHJJIOTQ-DGCLKSJQSA-N 2 1 314.376 2.856 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262635835 146379799 /nfs/dbraw/zinc/37/97/99/146379799.db2.gz HYDYWGQWIDUIJP-CSNJMZFVSA-N 2 1 321.509 2.678 20 0 DFADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000354833991 147169711 /nfs/dbraw/zinc/16/97/11/147169711.db2.gz RRRZHLFZHQZTMR-AEFFLSMTSA-N 2 1 323.525 2.591 20 0 DFADMP CCN(CCC[NH+]1CC[C@@H](C[N@H+](C)CC)C1)CC(F)(F)F ZINC000354858158 147179664 /nfs/dbraw/zinc/17/96/64/147179664.db2.gz NWQZCAAJNQFKGQ-AWEZNQCLSA-N 2 1 309.420 2.534 20 0 DFADMP CCN(CCC[NH+]1CC[C@@H](C[N@@H+](C)CC)C1)CC(F)(F)F ZINC000354858158 147179666 /nfs/dbraw/zinc/17/96/66/147179666.db2.gz NWQZCAAJNQFKGQ-AWEZNQCLSA-N 2 1 309.420 2.534 20 0 DFADMP Cc1cc(NC(=O)CC[N@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000355407333 147303375 /nfs/dbraw/zinc/30/33/75/147303375.db2.gz ZOXAACBBAOUKRH-AWEZNQCLSA-N 2 1 300.406 2.846 20 0 DFADMP Cc1cc(NC(=O)CC[N@@H+]2CCCC[C@@H]2C)cn2cc[nH+]c12 ZINC000355407333 147303376 /nfs/dbraw/zinc/30/33/76/147303376.db2.gz ZOXAACBBAOUKRH-AWEZNQCLSA-N 2 1 300.406 2.846 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000355477381 147330946 /nfs/dbraw/zinc/33/09/46/147330946.db2.gz YYHJLXPEWVEPSQ-INIZCTEOSA-N 2 1 323.868 2.545 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCCC[NH+]1CCCC1)c1cccc(Cl)c1 ZINC000355477387 147331496 /nfs/dbraw/zinc/33/14/96/147331496.db2.gz YYHJLXPEWVEPSQ-MRXNPFEDSA-N 2 1 323.868 2.545 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000357718205 148095335 /nfs/dbraw/zinc/09/53/35/148095335.db2.gz WKBWTFXNBSPLNC-OAGGEKHMSA-N 2 1 323.525 2.922 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(C)oc2C)[C@H](C)C1 ZINC000357780488 148119162 /nfs/dbraw/zinc/11/91/62/148119162.db2.gz WJPWMTQJDJQLPW-PBHICJAKSA-N 2 1 323.481 2.561 20 0 DFADMP Cc1ccc([C@H](C[NH+]2CCOCC2)Nc2cc[nH+]c(C)c2)cc1 ZINC000358124859 148252607 /nfs/dbraw/zinc/25/26/07/148252607.db2.gz LRVFDQNWAUGLTE-IBGZPJMESA-N 2 1 311.429 2.606 20 0 DFADMP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358151091 148261402 /nfs/dbraw/zinc/26/14/02/148261402.db2.gz BZUQSCBQZIAZOJ-KGLIPLIRSA-N 2 1 305.491 2.781 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000350285459 286024376 /nfs/dbraw/zinc/02/43/76/286024376.db2.gz IBANQAKANGBPDE-SFHVURJKSA-N 2 1 324.440 2.637 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000358245915 148301640 /nfs/dbraw/zinc/30/16/40/148301640.db2.gz IYGHZJJDJQHLMJ-VYDXJSESSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2F)C1 ZINC000358245915 148301642 /nfs/dbraw/zinc/30/16/42/148301642.db2.gz IYGHZJJDJQHLMJ-VYDXJSESSA-N 2 1 305.441 2.724 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccncc2C)[C@@H](C)C1 ZINC000358253393 148306596 /nfs/dbraw/zinc/30/65/96/148306596.db2.gz OZNJBOKZOKVNSD-HKUYNNGSSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503807 148380442 /nfs/dbraw/zinc/38/04/42/148380442.db2.gz FQHOLWUPPYTVJH-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358516026 148382165 /nfs/dbraw/zinc/38/21/65/148382165.db2.gz NUURFBWOJGPFQL-CQSZACIVSA-N 2 1 312.417 2.873 20 0 DFADMP C[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000358560544 148386612 /nfs/dbraw/zinc/38/66/12/148386612.db2.gz FCVBSTKSTZQPRH-GSEOLPGOSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000358560544 148386615 /nfs/dbraw/zinc/38/66/15/148386615.db2.gz FCVBSTKSTZQPRH-GSEOLPGOSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000358560544 148386616 /nfs/dbraw/zinc/38/66/16/148386616.db2.gz FCVBSTKSTZQPRH-GSEOLPGOSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000350510550 286053226 /nfs/dbraw/zinc/05/32/26/286053226.db2.gz CUOYGIPUMYTVRX-MRXNPFEDSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H](CCc1ccsc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000361239701 149063300 /nfs/dbraw/zinc/06/33/00/149063300.db2.gz XGDNTTDKQPUJEN-MRXNPFEDSA-N 2 1 309.523 2.686 20 0 DFADMP C[C@@H](CCc1ccsc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000361239700 149063525 /nfs/dbraw/zinc/06/35/25/149063525.db2.gz XGDNTTDKQPUJEN-INIZCTEOSA-N 2 1 309.523 2.686 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000361290902 149076051 /nfs/dbraw/zinc/07/60/51/149076051.db2.gz QGRPTRRYRYISDQ-SUMDDJOVSA-N 2 1 302.462 2.602 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361345542 149091873 /nfs/dbraw/zinc/09/18/73/149091873.db2.gz JCZFOHPWOHXTEX-INIZCTEOSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](C)(O)C1CC1 ZINC000361347213 149092208 /nfs/dbraw/zinc/09/22/08/149092208.db2.gz TXMIINUZHVVKBE-LZQZEXGQSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361460323 149122432 /nfs/dbraw/zinc/12/24/32/149122432.db2.gz UZDOXDJRHNGOCT-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(CCO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361460323 149122435 /nfs/dbraw/zinc/12/24/35/149122435.db2.gz UZDOXDJRHNGOCT-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596586 149163126 /nfs/dbraw/zinc/16/31/26/149163126.db2.gz UCLPKOITFKYKCG-VQTJNVASSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596586 149163128 /nfs/dbraw/zinc/16/31/28/149163128.db2.gz UCLPKOITFKYKCG-VQTJNVASSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596586 149163131 /nfs/dbraw/zinc/16/31/31/149163131.db2.gz UCLPKOITFKYKCG-VQTJNVASSA-N 2 1 316.489 2.788 20 0 DFADMP Cc1nnc([C@H](C)[N@@H+]2CCC[C@H]2Cn2ccnc2C(C)C)o1 ZINC000361667381 149186463 /nfs/dbraw/zinc/18/64/63/149186463.db2.gz PEMANYSEBNVODL-JSGCOSHPSA-N 2 1 303.410 2.924 20 0 DFADMP Cc1cc(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cn2cc[nH+]c12 ZINC000667148381 543554306 /nfs/dbraw/zinc/55/43/06/543554306.db2.gz XLKCTWUKICSLBO-AWEZNQCLSA-N 2 1 315.421 2.637 20 0 DFADMP Cc1cc(NC(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)cn2cc[nH+]c12 ZINC000667148381 543554308 /nfs/dbraw/zinc/55/43/08/543554308.db2.gz XLKCTWUKICSLBO-AWEZNQCLSA-N 2 1 315.421 2.637 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC(C)(C)[NH3+])cc1F ZINC000361730052 149203701 /nfs/dbraw/zinc/20/37/01/149203701.db2.gz VRTITHVGMUCMAV-LLVKDONJSA-N 2 1 318.396 2.624 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000361806475 149225923 /nfs/dbraw/zinc/22/59/23/149225923.db2.gz IROBPROVBZZVTM-WMLDXEAASA-N 2 1 312.461 2.731 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c(O[C@H]2CCOC2)c1 ZINC000361983838 149270376 /nfs/dbraw/zinc/27/03/76/149270376.db2.gz QIKZKCBZAISHBG-BPQIPLTHSA-N 2 1 318.461 2.593 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c(O[C@H]2CCOC2)c1 ZINC000361983838 149270380 /nfs/dbraw/zinc/27/03/80/149270380.db2.gz QIKZKCBZAISHBG-BPQIPLTHSA-N 2 1 318.461 2.593 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000362079447 149290012 /nfs/dbraw/zinc/29/00/12/149290012.db2.gz PDXFASHWBVMHOF-UYAOXDASSA-N 2 1 315.505 2.761 20 0 DFADMP Cc1cccc(N(C)C[C@@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)[nH+]1 ZINC000362682669 149340994 /nfs/dbraw/zinc/34/09/94/149340994.db2.gz FLJQKROVXUSEEO-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cccc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)[nH+]1 ZINC000362682669 149340995 /nfs/dbraw/zinc/34/09/95/149340995.db2.gz FLJQKROVXUSEEO-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]12 ZINC000351473205 286128993 /nfs/dbraw/zinc/12/89/93/286128993.db2.gz CMLNGKFHWINMHD-BPLDGKMQSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]12 ZINC000351473205 286128994 /nfs/dbraw/zinc/12/89/94/286128994.db2.gz CMLNGKFHWINMHD-BPLDGKMQSA-N 2 1 301.365 2.650 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351476938 286129852 /nfs/dbraw/zinc/12/98/52/286129852.db2.gz MJSBOBQBPXSOMZ-BZSNNMDCSA-N 2 1 323.525 2.576 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351476938 286129854 /nfs/dbraw/zinc/12/98/54/286129854.db2.gz MJSBOBQBPXSOMZ-BZSNNMDCSA-N 2 1 323.525 2.576 20 0 DFADMP Cc1ccc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)cc1C ZINC000351481289 286131582 /nfs/dbraw/zinc/13/15/82/286131582.db2.gz XAVMEHGROHHNDV-RTBURBONSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)cc1C ZINC000351481289 286131584 /nfs/dbraw/zinc/13/15/84/286131584.db2.gz XAVMEHGROHHNDV-RTBURBONSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1C ZINC000351481289 286131585 /nfs/dbraw/zinc/13/15/85/286131585.db2.gz XAVMEHGROHHNDV-RTBURBONSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1C ZINC000351481289 286131586 /nfs/dbraw/zinc/13/15/86/286131586.db2.gz XAVMEHGROHHNDV-RTBURBONSA-N 2 1 302.462 2.895 20 0 DFADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000351438873 286126539 /nfs/dbraw/zinc/12/65/39/286126539.db2.gz FWASDPZBNJSORA-VQTJNVASSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000351438873 286126542 /nfs/dbraw/zinc/12/65/42/286126542.db2.gz FWASDPZBNJSORA-VQTJNVASSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000351438873 286126543 /nfs/dbraw/zinc/12/65/43/286126543.db2.gz FWASDPZBNJSORA-VQTJNVASSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCc2ccccc2C1 ZINC000351438873 286126545 /nfs/dbraw/zinc/12/65/45/286126545.db2.gz FWASDPZBNJSORA-VQTJNVASSA-N 2 1 316.489 2.711 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000351494516 286135420 /nfs/dbraw/zinc/13/54/20/286135420.db2.gz NZNONUPTFSPMJB-LJQANCHMSA-N 2 1 320.452 2.535 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000351494516 286135422 /nfs/dbraw/zinc/13/54/22/286135422.db2.gz NZNONUPTFSPMJB-LJQANCHMSA-N 2 1 320.452 2.535 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500729 286137146 /nfs/dbraw/zinc/13/71/46/286137146.db2.gz XGAHIAJOZQGQCT-DIECFANBSA-N 2 1 315.461 2.806 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351500729 286137147 /nfs/dbraw/zinc/13/71/47/286137147.db2.gz XGAHIAJOZQGQCT-DIECFANBSA-N 2 1 315.461 2.806 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351525847 286143871 /nfs/dbraw/zinc/14/38/71/286143871.db2.gz VOEXNFACROJOSZ-MOPGFXCFSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351525847 286143872 /nfs/dbraw/zinc/14/38/72/286143872.db2.gz VOEXNFACROJOSZ-MOPGFXCFSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351525847 286143873 /nfs/dbraw/zinc/14/38/73/286143873.db2.gz VOEXNFACROJOSZ-MOPGFXCFSA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351525847 286143874 /nfs/dbraw/zinc/14/38/74/286143874.db2.gz VOEXNFACROJOSZ-MOPGFXCFSA-N 2 1 322.468 2.780 20 0 DFADMP CCC[N@H+](CCc1cccc(F)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351521092 286141784 /nfs/dbraw/zinc/14/17/84/286141784.db2.gz TWLNLYDTHGNEGN-SFHVURJKSA-N 2 1 308.441 2.535 20 0 DFADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351521092 286141785 /nfs/dbraw/zinc/14/17/85/286141785.db2.gz TWLNLYDTHGNEGN-SFHVURJKSA-N 2 1 308.441 2.535 20 0 DFADMP CCC[NH+](CCc1cccc(F)c1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351521092 286141788 /nfs/dbraw/zinc/14/17/88/286141788.db2.gz TWLNLYDTHGNEGN-SFHVURJKSA-N 2 1 308.441 2.535 20 0 DFADMP CCC[NH+](CCc1cccc(F)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351521092 286141790 /nfs/dbraw/zinc/14/17/90/286141790.db2.gz TWLNLYDTHGNEGN-SFHVURJKSA-N 2 1 308.441 2.535 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1)C1CC1 ZINC000351538094 286146870 /nfs/dbraw/zinc/14/68/70/286146870.db2.gz QXCKCMUUDNBDQY-UXHICEINSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1)C1CC1 ZINC000351538094 286146871 /nfs/dbraw/zinc/14/68/71/286146871.db2.gz QXCKCMUUDNBDQY-UXHICEINSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H]1CCCc1ccccc1)C1CC1 ZINC000351538094 286146872 /nfs/dbraw/zinc/14/68/72/286146872.db2.gz QXCKCMUUDNBDQY-UXHICEINSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H]1CCCc1ccccc1)C1CC1 ZINC000351538094 286146873 /nfs/dbraw/zinc/14/68/73/286146873.db2.gz QXCKCMUUDNBDQY-UXHICEINSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000371205299 150001796 /nfs/dbraw/zinc/00/17/96/150001796.db2.gz QHXHPCFFQBORCS-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000371205299 150001798 /nfs/dbraw/zinc/00/17/98/150001798.db2.gz QHXHPCFFQBORCS-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000371205299 150001801 /nfs/dbraw/zinc/00/18/01/150001801.db2.gz QHXHPCFFQBORCS-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[NH+]2C)C1 ZINC000371205297 150003016 /nfs/dbraw/zinc/00/30/16/150003016.db2.gz QHXHPCFFQBORCS-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000371205297 150003018 /nfs/dbraw/zinc/00/30/18/150003018.db2.gz QHXHPCFFQBORCS-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCN(CC[C@@H]2CCC[N@H+]2C)C1 ZINC000371205297 150003020 /nfs/dbraw/zinc/00/30/20/150003020.db2.gz QHXHPCFFQBORCS-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP Cc1cccc2ncc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)n21 ZINC000371403593 150040819 /nfs/dbraw/zinc/04/08/19/150040819.db2.gz VCHSEMCEHFEZCN-NJAFHUGGSA-N 2 1 310.445 2.559 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000371449761 150049514 /nfs/dbraw/zinc/04/95/14/150049514.db2.gz XAUJUIISCPFAMS-SSHXOBKSSA-N 2 1 304.438 2.621 20 0 DFADMP Cc1ncc(CN2CC[C@@H]3CC[N@H+](C)[C@@H]3C2)n1-c1ccccc1 ZINC000371541304 150063167 /nfs/dbraw/zinc/06/31/67/150063167.db2.gz AEBYPQWFVCGVEL-QFBILLFUSA-N 2 1 310.445 2.707 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000371879691 150108249 /nfs/dbraw/zinc/10/82/49/150108249.db2.gz JYQFKQQGLIZVAK-SJORKVTESA-N 2 1 315.461 2.870 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000371985225 150121208 /nfs/dbraw/zinc/12/12/08/150121208.db2.gz RLUPBWUFVLQFTG-AEFFLSMTSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccco1 ZINC000371985225 150121211 /nfs/dbraw/zinc/12/12/11/150121211.db2.gz RLUPBWUFVLQFTG-AEFFLSMTSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2CCc2ccccc2)CC[N@H+]1C ZINC000372060087 150130447 /nfs/dbraw/zinc/13/04/47/150130447.db2.gz OUIVEBJLMIKVFL-RLLQIKCJSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2CCc2ccccc2)CC[NH+]1C ZINC000372060087 150130448 /nfs/dbraw/zinc/13/04/48/150130448.db2.gz OUIVEBJLMIKVFL-RLLQIKCJSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2CCc2ccccc2)CC[NH+]1C ZINC000372060087 150130453 /nfs/dbraw/zinc/13/04/53/150130453.db2.gz OUIVEBJLMIKVFL-RLLQIKCJSA-N 2 1 315.505 2.766 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000372308499 150161560 /nfs/dbraw/zinc/16/15/60/150161560.db2.gz RGFIZLCNAQJNHZ-CQSZACIVSA-N 2 1 301.438 2.556 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccc(F)nc3)C2)c1 ZINC000372423317 150170753 /nfs/dbraw/zinc/17/07/53/150170753.db2.gz XAFDJROUBLKYRB-OAHLLOKOSA-N 2 1 300.381 2.858 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000372805358 150187297 /nfs/dbraw/zinc/18/72/97/150187297.db2.gz RYMGWZYQYHPJNS-OAHLLOKOSA-N 2 1 304.438 2.611 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2noc(C3CC3)n2)CC1 ZINC000372805358 150187301 /nfs/dbraw/zinc/18/73/01/150187301.db2.gz RYMGWZYQYHPJNS-OAHLLOKOSA-N 2 1 304.438 2.611 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCc2cnn(CC)c2)CC1 ZINC000351608131 286167637 /nfs/dbraw/zinc/16/76/37/286167637.db2.gz LWYZDGVRWZVJFK-UHFFFAOYSA-N 2 1 306.498 2.889 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1cn2c(n1)CCCC2 ZINC000373002181 150214910 /nfs/dbraw/zinc/21/49/10/150214910.db2.gz LHURLPVFFXOSAQ-UHFFFAOYSA-N 2 1 301.438 2.637 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1cn2c(n1)CCCC2 ZINC000373002181 150214911 /nfs/dbraw/zinc/21/49/11/150214911.db2.gz LHURLPVFFXOSAQ-UHFFFAOYSA-N 2 1 301.438 2.637 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000373001932 150214941 /nfs/dbraw/zinc/21/49/41/150214941.db2.gz YXKCZLPZXPSWHY-FQEVSTJZSA-N 2 1 315.505 2.763 20 0 DFADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@H]2C)C1(C)C ZINC000368563499 286172180 /nfs/dbraw/zinc/17/21/80/286172180.db2.gz LXNBCZPOSPLDOJ-OYNZLANYSA-N 2 1 324.509 2.669 20 0 DFADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1(C)C ZINC000368563499 286172182 /nfs/dbraw/zinc/17/21/82/286172182.db2.gz LXNBCZPOSPLDOJ-OYNZLANYSA-N 2 1 324.509 2.669 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000373106542 150231368 /nfs/dbraw/zinc/23/13/68/150231368.db2.gz KDPNWTKSOPLQAJ-HNNXBMFYSA-N 2 1 315.417 2.687 20 0 DFADMP OC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000373129306 150236027 /nfs/dbraw/zinc/23/60/27/150236027.db2.gz YCULOELWBORTLS-BCDXTJNWSA-N 2 1 300.446 2.687 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)c1 ZINC000373222834 150250788 /nfs/dbraw/zinc/25/07/88/150250788.db2.gz DTZHRWNJJCEQKC-QSFXBCCZSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)c1 ZINC000373222834 150250792 /nfs/dbraw/zinc/25/07/92/150250792.db2.gz DTZHRWNJJCEQKC-QSFXBCCZSA-N 2 1 323.440 2.782 20 0 DFADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+]1C1CCCCC1 ZINC000373904154 150276535 /nfs/dbraw/zinc/27/65/35/150276535.db2.gz NNGQFUGPOITXJC-YTQUADARSA-N 2 1 305.510 3.000 20 0 DFADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373904154 150276538 /nfs/dbraw/zinc/27/65/38/150276538.db2.gz NNGQFUGPOITXJC-YTQUADARSA-N 2 1 305.510 3.000 20 0 DFADMP C(N[C@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373904154 150276539 /nfs/dbraw/zinc/27/65/39/150276539.db2.gz NNGQFUGPOITXJC-YTQUADARSA-N 2 1 305.510 3.000 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](CCc2cccs2)CC1 ZINC000351618377 286171268 /nfs/dbraw/zinc/17/12/68/286171268.db2.gz IVBSJNIEFIUUKT-KRWDZBQOSA-N 2 1 321.534 2.783 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374014998 150292558 /nfs/dbraw/zinc/29/25/58/150292558.db2.gz RODRNXQWTSDMFB-XYJFISCASA-N 2 1 321.465 2.630 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@@]2(CCO[C@@H](C)C2)C1 ZINC000374014998 150292560 /nfs/dbraw/zinc/29/25/60/150292560.db2.gz RODRNXQWTSDMFB-XYJFISCASA-N 2 1 321.465 2.630 20 0 DFADMP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000374259382 150331307 /nfs/dbraw/zinc/33/13/07/150331307.db2.gz OZOXXKGMQSGPGT-QGZVFWFLSA-N 2 1 301.478 2.595 20 0 DFADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3cc[nH]c3)CC2)CC1 ZINC000374282165 150335446 /nfs/dbraw/zinc/33/54/46/150335446.db2.gz CRBRAUGJYOJEMN-UHFFFAOYSA-N 3 1 318.509 2.643 20 0 DFADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc[nH]c1 ZINC000374282165 150335447 /nfs/dbraw/zinc/33/54/47/150335447.db2.gz CRBRAUGJYOJEMN-UHFFFAOYSA-N 3 1 318.509 2.643 20 0 DFADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)Cc1cc[nH]c1 ZINC000374282165 150335448 /nfs/dbraw/zinc/33/54/48/150335448.db2.gz CRBRAUGJYOJEMN-UHFFFAOYSA-N 3 1 318.509 2.643 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374298360 150340083 /nfs/dbraw/zinc/34/00/83/150340083.db2.gz WCNNNDHYBTYSJX-OAHLLOKOSA-N 2 1 308.466 2.524 20 0 DFADMP COc1cccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1F ZINC000374371913 150353859 /nfs/dbraw/zinc/35/38/59/150353859.db2.gz BGNMPWXCNIRLMZ-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1cccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1F ZINC000374371913 150353862 /nfs/dbraw/zinc/35/38/62/150353862.db2.gz BGNMPWXCNIRLMZ-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP CC(C)[C@H](C)NC(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351641080 286178831 /nfs/dbraw/zinc/17/88/31/286178831.db2.gz YPCSEVJEQPYZMX-FUHWJXTLSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000374461352 150371019 /nfs/dbraw/zinc/37/10/19/150371019.db2.gz MJOXLGTXMKQQDP-OWCLPIDISA-N 2 1 318.465 2.688 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000351803680 286222446 /nfs/dbraw/zinc/22/24/46/286222446.db2.gz GAOAWUILJCBCOA-IXDOHACOSA-N 2 1 311.514 2.828 20 0 DFADMP CC[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000351847768 286231860 /nfs/dbraw/zinc/23/18/60/286231860.db2.gz BNUVCOOMDTWRQA-NOLJZWGESA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H](NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccc(Cl)cc1 ZINC000351847768 286231862 /nfs/dbraw/zinc/23/18/62/286231862.db2.gz BNUVCOOMDTWRQA-NOLJZWGESA-N 2 1 323.868 2.576 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000351886386 286237419 /nfs/dbraw/zinc/23/74/19/286237419.db2.gz JMTNQCWCLDRHRE-IRXDYDNUSA-N 2 1 311.514 2.878 20 0 DFADMP CC[N@@H+](CCCN1CCN(c2ccccc2)CC1)CC1CC1 ZINC000351995509 286264944 /nfs/dbraw/zinc/26/49/44/286264944.db2.gz QLHHVCRYZOICGI-UHFFFAOYSA-N 2 1 301.478 2.931 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000352018791 286271302 /nfs/dbraw/zinc/27/13/02/286271302.db2.gz SGHTZDCUESVEFD-SFHVURJKSA-N 2 1 301.478 2.855 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000352114298 286295755 /nfs/dbraw/zinc/29/57/55/286295755.db2.gz WKZQFGGJVAYDEW-HNNXBMFYSA-N 2 1 310.445 2.661 20 0 DFADMP COc1ccc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)c(OC)c1OC ZINC000317119573 286302337 /nfs/dbraw/zinc/30/23/37/286302337.db2.gz HLKBNAJJXOUNFP-AWEZNQCLSA-N 2 1 310.438 2.518 20 0 DFADMP COc1ccc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c(OC)c1OC ZINC000317119573 286302339 /nfs/dbraw/zinc/30/23/39/286302339.db2.gz HLKBNAJJXOUNFP-AWEZNQCLSA-N 2 1 310.438 2.518 20 0 DFADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCc3[nH+]ccn32)CCCCCC1 ZINC000352140126 286302374 /nfs/dbraw/zinc/30/23/74/286302374.db2.gz JGUKSRMJXUOBOH-OAHLLOKOSA-N 2 1 318.465 2.531 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000352155183 286307080 /nfs/dbraw/zinc/30/70/80/286307080.db2.gz CTOOJBAQAHXNJE-SJORKVTESA-N 2 1 311.514 2.924 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCc3ccccc3C2)s1 ZINC000352257211 286330269 /nfs/dbraw/zinc/33/02/69/286330269.db2.gz RRATZXJSDQVPES-OAHLLOKOSA-N 2 1 301.459 2.852 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000352495173 286388104 /nfs/dbraw/zinc/38/81/04/286388104.db2.gz JERZOFYDIZGIHN-MJGOQNOKSA-N 2 1 318.461 2.948 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000181616533 286385467 /nfs/dbraw/zinc/38/54/67/286385467.db2.gz BDUDBXYGHWVGAU-XWTMOSNGSA-N 2 1 324.509 2.813 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352519217 286395977 /nfs/dbraw/zinc/39/59/77/286395977.db2.gz MUQLHZAYSGXLPT-QGZVFWFLSA-N 2 1 309.498 2.619 20 0 DFADMP Cc1nc2ccccn2c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352526773 286398346 /nfs/dbraw/zinc/39/83/46/286398346.db2.gz ROEJEWMYNGBQDZ-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000352527232 286398625 /nfs/dbraw/zinc/39/86/25/286398625.db2.gz YAIIBBLNASBDDS-INIZCTEOSA-N 2 1 302.397 2.715 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000352527232 286398629 /nfs/dbraw/zinc/39/86/29/286398629.db2.gz YAIIBBLNASBDDS-INIZCTEOSA-N 2 1 302.397 2.715 20 0 DFADMP C[NH+](C)Cc1cnc(CNC2CC[NH+](C3CCCC3)CC2)s1 ZINC000352767539 286461637 /nfs/dbraw/zinc/46/16/37/286461637.db2.gz MJQFMDHVUXLEDO-UHFFFAOYSA-N 2 1 322.522 2.701 20 0 DFADMP CCC([NH3+])(CC)CNC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429662050 296754334 /nfs/dbraw/zinc/75/43/34/296754334.db2.gz QQGFDQHGUBNEEF-CQSZACIVSA-N 2 1 311.857 2.576 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000245950346 158082285 /nfs/dbraw/zinc/08/22/85/158082285.db2.gz YQEPQWDLGJFESP-CVEARBPZSA-N 2 1 305.441 2.599 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1N(C)C ZINC000246427447 158091487 /nfs/dbraw/zinc/09/14/87/158091487.db2.gz MUNJWBAFYNROGS-IRXDYDNUSA-N 2 1 319.493 2.640 20 0 DFADMP O=C(CN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)Nc1ccccc1 ZINC000246831432 158102431 /nfs/dbraw/zinc/10/24/31/158102431.db2.gz ODGOYUTXUHUYAH-YJBOKZPZSA-N 2 1 313.445 2.574 20 0 DFADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246917030 158105618 /nfs/dbraw/zinc/10/56/18/158105618.db2.gz FXZZJWYPZKKAJI-IEBWSBKVSA-N 2 1 318.509 2.614 20 0 DFADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246917030 158105622 /nfs/dbraw/zinc/10/56/22/158105622.db2.gz FXZZJWYPZKKAJI-IEBWSBKVSA-N 2 1 318.509 2.614 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000246947304 158106463 /nfs/dbraw/zinc/10/64/63/158106463.db2.gz HXBYOIBAEXOJHZ-PZPWOCDFSA-N 2 1 308.491 2.807 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)Oc2ccc(OC)cc2)[C@@H](C)C1 ZINC000246939790 158107019 /nfs/dbraw/zinc/10/70/19/158107019.db2.gz GUVLYRJWRXDJIL-MPGHIAIKSA-N 2 1 306.450 2.782 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246966933 158109766 /nfs/dbraw/zinc/10/97/66/158109766.db2.gz JCWOKPLSMXLYPS-SUNYJGFJSA-N 2 1 303.450 2.506 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000247050542 158116489 /nfs/dbraw/zinc/11/64/89/158116489.db2.gz NGTCSEYBRAJSQS-IIDMSEBBSA-N 2 1 317.477 2.645 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000247050542 158116490 /nfs/dbraw/zinc/11/64/90/158116490.db2.gz NGTCSEYBRAJSQS-IIDMSEBBSA-N 2 1 317.477 2.645 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000247172382 158120924 /nfs/dbraw/zinc/12/09/24/158120924.db2.gz YRAGCCDGMCXHQU-ISARSNTHSA-N 2 1 303.494 2.916 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000247172382 158120926 /nfs/dbraw/zinc/12/09/26/158120926.db2.gz YRAGCCDGMCXHQU-ISARSNTHSA-N 2 1 303.494 2.916 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000247172382 158120927 /nfs/dbraw/zinc/12/09/27/158120927.db2.gz YRAGCCDGMCXHQU-ISARSNTHSA-N 2 1 303.494 2.916 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000247225198 158123524 /nfs/dbraw/zinc/12/35/24/158123524.db2.gz XYJUZHAIFYSHKT-CABCVRRESA-N 2 1 304.434 2.840 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253675 158124599 /nfs/dbraw/zinc/12/45/99/158124599.db2.gz YMSTYUPICRGILS-YJBOKZPZSA-N 2 1 307.457 2.577 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1OC ZINC000247237636 158125136 /nfs/dbraw/zinc/12/51/36/158125136.db2.gz YUKJBQGHIYBMKJ-IIAWOOMASA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000247237636 158125139 /nfs/dbraw/zinc/12/51/39/158125139.db2.gz YUKJBQGHIYBMKJ-IIAWOOMASA-N 2 1 306.450 2.912 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000247243523 158125152 /nfs/dbraw/zinc/12/51/52/158125152.db2.gz ZDKZPBXPJSNYQR-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000247243523 158125157 /nfs/dbraw/zinc/12/51/57/158125157.db2.gz ZDKZPBXPJSNYQR-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000247243523 158125158 /nfs/dbraw/zinc/12/51/58/158125158.db2.gz ZDKZPBXPJSNYQR-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000247243523 158125162 /nfs/dbraw/zinc/12/51/62/158125162.db2.gz ZDKZPBXPJSNYQR-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(CC(=O)Nc3ccc(Cl)cc3)CC[C@H]21 ZINC000248186213 158165084 /nfs/dbraw/zinc/16/50/84/158165084.db2.gz XJXIOUAMCOOWSS-XJKSGUPXSA-N 2 1 321.852 2.695 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248215884 158166251 /nfs/dbraw/zinc/16/62/51/158166251.db2.gz ZQUMUMLHOSNDEM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248215884 158166254 /nfs/dbraw/zinc/16/62/54/158166254.db2.gz ZQUMUMLHOSNDEM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248215884 158166258 /nfs/dbraw/zinc/16/62/58/158166258.db2.gz ZQUMUMLHOSNDEM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248401656 158171728 /nfs/dbraw/zinc/17/17/28/158171728.db2.gz MELWRVODBQREHZ-ZACQAIPSSA-N 2 1 304.482 2.904 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404524 158172046 /nfs/dbraw/zinc/17/20/46/158172046.db2.gz QHIWHKFTZVHMAI-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404524 158172049 /nfs/dbraw/zinc/17/20/49/158172049.db2.gz QHIWHKFTZVHMAI-XUVXKRRUSA-N 3 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404524 158172051 /nfs/dbraw/zinc/17/20/51/158172051.db2.gz QHIWHKFTZVHMAI-XUVXKRRUSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248409901 158173492 /nfs/dbraw/zinc/17/34/92/158173492.db2.gz XGZBCLCFBUMGGL-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409901 158173496 /nfs/dbraw/zinc/17/34/96/158173496.db2.gz XGZBCLCFBUMGGL-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409901 158173499 /nfs/dbraw/zinc/17/34/99/158173499.db2.gz XGZBCLCFBUMGGL-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000248446493 158177484 /nfs/dbraw/zinc/17/74/84/158177484.db2.gz COZZQGNWKIMAEB-GBESFXJTSA-N 2 1 314.473 2.649 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)[nH+]1 ZINC000248573145 158186095 /nfs/dbraw/zinc/18/60/95/158186095.db2.gz MQHBHJZMPLNYFS-AEFFLSMTSA-N 2 1 319.449 2.667 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCO[C@H]3CCCCO3)C2)[nH+]1 ZINC000248573145 158186096 /nfs/dbraw/zinc/18/60/96/158186096.db2.gz MQHBHJZMPLNYFS-AEFFLSMTSA-N 2 1 319.449 2.667 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248652813 158194158 /nfs/dbraw/zinc/19/41/58/158194158.db2.gz YKPORBWMBCVVTD-YEOLBDKBSA-N 2 1 314.473 2.814 20 0 DFADMP COC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000271651295 158210489 /nfs/dbraw/zinc/21/04/89/158210489.db2.gz BGISYSAMCBVJSY-MRXNPFEDSA-N 2 1 309.360 2.837 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000355101946 158274906 /nfs/dbraw/zinc/27/49/06/158274906.db2.gz IJTSPRIWGRHPLT-ROUUACIJSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000355101946 158274907 /nfs/dbraw/zinc/27/49/07/158274907.db2.gz IJTSPRIWGRHPLT-ROUUACIJSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000355101946 158274909 /nfs/dbraw/zinc/27/49/09/158274909.db2.gz IJTSPRIWGRHPLT-ROUUACIJSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000355152306 158286658 /nfs/dbraw/zinc/28/66/58/158286658.db2.gz RLZQDLKDTASJCJ-MSOLQXFVSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000355152306 158286664 /nfs/dbraw/zinc/28/66/64/158286664.db2.gz RLZQDLKDTASJCJ-MSOLQXFVSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000355152306 158286668 /nfs/dbraw/zinc/28/66/68/158286668.db2.gz RLZQDLKDTASJCJ-MSOLQXFVSA-N 2 1 323.525 2.735 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355157520 158287034 /nfs/dbraw/zinc/28/70/34/158287034.db2.gz FNTXANQANAMKMG-KRWDZBQOSA-N 2 1 318.461 2.687 20 0 DFADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000355207634 158298485 /nfs/dbraw/zinc/29/84/85/158298485.db2.gz FUKJXWIZECFJKX-RYQLBKOJSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000355207634 158298486 /nfs/dbraw/zinc/29/84/86/158298486.db2.gz FUKJXWIZECFJKX-RYQLBKOJSA-N 2 1 306.425 2.818 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2cc[nH]c21 ZINC000355209128 158298568 /nfs/dbraw/zinc/29/85/68/158298568.db2.gz QYXDZCZIMVFRNJ-KZNAEPCWSA-N 2 1 313.445 2.851 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000355212701 158300210 /nfs/dbraw/zinc/30/02/10/158300210.db2.gz PBOWNSDKSYBVBV-RDJZCZTQSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000355212701 158300212 /nfs/dbraw/zinc/30/02/12/158300212.db2.gz PBOWNSDKSYBVBV-RDJZCZTQSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000355212701 158300213 /nfs/dbraw/zinc/30/02/13/158300213.db2.gz PBOWNSDKSYBVBV-RDJZCZTQSA-N 2 1 318.461 2.928 20 0 DFADMP Cc1ccc(N2CCC([NH2+][C@H](C)[C@@H]3CCCOC3)CC2)[nH+]c1 ZINC000356903485 158320829 /nfs/dbraw/zinc/32/08/29/158320829.db2.gz RYXQCISDSRFWOJ-HZPDHXFCSA-N 2 1 303.450 2.764 20 0 DFADMP CCOC(=O)[C@H](C)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357021075 158349338 /nfs/dbraw/zinc/34/93/38/158349338.db2.gz YFTXLPAJNSFOIQ-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000357021075 158349341 /nfs/dbraw/zinc/34/93/41/158349341.db2.gz YFTXLPAJNSFOIQ-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000357021075 158349343 /nfs/dbraw/zinc/34/93/43/158349343.db2.gz YFTXLPAJNSFOIQ-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000357054372 158357205 /nfs/dbraw/zinc/35/72/05/158357205.db2.gz QTIWDBWOHSPYLF-SFHVURJKSA-N 2 1 319.493 2.867 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000358590919 158392225 /nfs/dbraw/zinc/39/22/25/158392225.db2.gz MPDYHYMVCFXIBV-SFHVURJKSA-N 2 1 317.477 2.590 20 0 DFADMP C[C@@H]1C[C@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[N@H+]1C ZINC000362310424 158517349 /nfs/dbraw/zinc/51/73/49/158517349.db2.gz YTSLBONEVKZABJ-CZUORRHYSA-N 2 1 314.433 2.996 20 0 DFADMP CC[C@H](F)C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000440777284 297164575 /nfs/dbraw/zinc/16/45/75/297164575.db2.gz UHVKKNKWCTUAQN-UXLLHSPISA-N 2 1 300.462 2.946 20 0 DFADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC(OCCC[NH3+])CC1 ZINC000430589796 296798459 /nfs/dbraw/zinc/79/84/59/296798459.db2.gz BJOPUQVQENRBNU-CYBMUJFWSA-N 2 1 309.454 2.863 20 0 DFADMP [NH3+]CC1CC[NH+]([C@@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000430641950 296801931 /nfs/dbraw/zinc/80/19/31/296801931.db2.gz NLPZOHAZDIBHHP-MRXNPFEDSA-N 2 1 321.852 2.506 20 0 DFADMP Cc1sc2[nH]c([C@@H](C)[NH+]3CCC(C[NH3+])CC3)nc(=O)c2c1C ZINC000430646384 296802256 /nfs/dbraw/zinc/80/22/56/296802256.db2.gz PDXYWLTWGUDCOZ-SNVBAGLBSA-N 2 1 320.462 2.745 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000430927306 296812916 /nfs/dbraw/zinc/81/29/16/296812916.db2.gz ICTCLKUFVLMCGQ-LRDDRELGSA-N 2 1 321.852 2.505 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430966064 296816239 /nfs/dbraw/zinc/81/62/39/296816239.db2.gz MDZRVBREYSWHPX-NWDGAFQWSA-N 2 1 309.841 2.726 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCOC[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278818659 287070126 /nfs/dbraw/zinc/07/01/26/287070126.db2.gz ZYVWLVUCQMXLJJ-FPAYPSAMSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H](O)C[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000261871746 287083602 /nfs/dbraw/zinc/08/36/02/287083602.db2.gz VIRLDDKQLVEXHC-LSDHHAIUSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441397328 297182629 /nfs/dbraw/zinc/18/26/29/297182629.db2.gz WFBUZBICZJPOTL-SJORKVTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000441397328 297182631 /nfs/dbraw/zinc/18/26/31/297182631.db2.gz WFBUZBICZJPOTL-SJORKVTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000441397328 297182633 /nfs/dbraw/zinc/18/26/33/297182633.db2.gz WFBUZBICZJPOTL-SJORKVTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000441397328 297182634 /nfs/dbraw/zinc/18/26/34/297182634.db2.gz WFBUZBICZJPOTL-SJORKVTESA-N 2 1 310.482 2.915 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921816 287115866 /nfs/dbraw/zinc/11/58/66/287115866.db2.gz IYRIMFFUHZMMKF-AFYVEPGGSA-N 2 1 316.489 2.833 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1 ZINC000363585681 287266512 /nfs/dbraw/zinc/26/65/12/287266512.db2.gz CQMXIHWODMWKFM-KZNAEPCWSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363585681 287266514 /nfs/dbraw/zinc/26/65/14/287266514.db2.gz CQMXIHWODMWKFM-KZNAEPCWSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1 ZINC000363585681 287266518 /nfs/dbraw/zinc/26/65/18/287266518.db2.gz CQMXIHWODMWKFM-KZNAEPCWSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1ncc(C[N@H+]2CCC[C@@H](c3noc(C(C)C)n3)C2)n1C ZINC000667571842 543633980 /nfs/dbraw/zinc/63/39/80/543633980.db2.gz DTQBQBGPFAWWGD-CYBMUJFWSA-N 2 1 303.410 2.615 20 0 DFADMP Cn1ncc(C2CC2)c1C[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000667576913 543634938 /nfs/dbraw/zinc/63/49/38/543634938.db2.gz YYCOHPBWSOJLEZ-CQSZACIVSA-N 2 1 311.433 2.627 20 0 DFADMP CCC(CC)(CC)C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000667827473 543688263 /nfs/dbraw/zinc/68/82/63/543688263.db2.gz VNODALFJMXARPU-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP CCC(CC)(CC)C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000667827473 543688265 /nfs/dbraw/zinc/68/82/65/543688265.db2.gz VNODALFJMXARPU-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000667835057 543688917 /nfs/dbraw/zinc/68/89/17/543688917.db2.gz HKRMOLYWKIMIKW-MISYRCLQSA-N 2 1 314.473 2.708 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C3CCC3)cnn2C)[C@@H](C)C1 ZINC000667666246 543655708 /nfs/dbraw/zinc/65/57/08/543655708.db2.gz GWWCTGABSYJPTK-YOEHRIQHSA-N 2 1 304.482 2.850 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667668467 543656026 /nfs/dbraw/zinc/65/60/26/543656026.db2.gz OGDZXXVOKAYNGU-INIZCTEOSA-N 2 1 313.449 2.574 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667724023 543667422 /nfs/dbraw/zinc/66/74/22/543667422.db2.gz SHCIUOKGKTWGKH-MRXNPFEDSA-N 2 1 318.465 2.635 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CO[C@@H](C3CC3)C1)C2 ZINC000667773558 543676513 /nfs/dbraw/zinc/67/65/13/543676513.db2.gz LPTBRIIDWVPGHE-RBUKOAKNSA-N 2 1 300.446 2.592 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CO[C@@H](C3CC3)C1)C2 ZINC000667773558 543676515 /nfs/dbraw/zinc/67/65/15/543676515.db2.gz LPTBRIIDWVPGHE-RBUKOAKNSA-N 2 1 300.446 2.592 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000667785616 543678639 /nfs/dbraw/zinc/67/86/39/543678639.db2.gz VBTJYMGKCXBSDU-AABGKKOBSA-N 2 1 313.489 2.712 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)n1C ZINC000668134921 543746244 /nfs/dbraw/zinc/74/62/44/543746244.db2.gz YSKGCFFOZDWESY-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccccc2)n1C ZINC000668134921 543746246 /nfs/dbraw/zinc/74/62/46/543746246.db2.gz YSKGCFFOZDWESY-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)CC2)nc(C)[nH+]1 ZINC000667934433 543706383 /nfs/dbraw/zinc/70/63/83/543706383.db2.gz KBLMICQQFMZPTI-HYVNUMGLSA-N 2 1 300.450 2.840 20 0 DFADMP c1cc(C[N@H+]2CC[C@@H](Cc3ccncc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667965616 543714391 /nfs/dbraw/zinc/71/43/91/543714391.db2.gz LWRRBZMOWGSRGE-KRWDZBQOSA-N 2 1 319.412 2.727 20 0 DFADMP c1cc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667965616 543714394 /nfs/dbraw/zinc/71/43/94/543714394.db2.gz LWRRBZMOWGSRGE-KRWDZBQOSA-N 2 1 319.412 2.727 20 0 DFADMP Cc1ccc2cc(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000668278133 543783283 /nfs/dbraw/zinc/78/32/83/543783283.db2.gz YKVBWHNOYQTEMW-UHFFFAOYSA-N 2 1 313.445 2.773 20 0 DFADMP Cc1ccc2cc(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000668278133 543783286 /nfs/dbraw/zinc/78/32/86/543783286.db2.gz YKVBWHNOYQTEMW-UHFFFAOYSA-N 2 1 313.445 2.773 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(C(=O)Nc2ccn3cc(C)nc3c2)C[C@H]1C ZINC000668158629 543753877 /nfs/dbraw/zinc/75/38/77/543753877.db2.gz ZBOVVWKOEQOOCX-ZIAGYGMSSA-N 2 1 315.421 2.589 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccn2cc(C)nc2c1 ZINC000668164654 543755493 /nfs/dbraw/zinc/75/54/93/543755493.db2.gz ALLMPUNBOVWMJL-CYBMUJFWSA-N 2 1 317.437 2.885 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668166077 543756451 /nfs/dbraw/zinc/75/64/51/543756451.db2.gz ORNVXEDRSYOWIN-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668166077 543756453 /nfs/dbraw/zinc/75/64/53/543756453.db2.gz ORNVXEDRSYOWIN-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000668167983 543756763 /nfs/dbraw/zinc/75/67/63/543756763.db2.gz JTTBBTKMROZIPQ-DLBZAZTESA-N 2 1 322.497 2.552 20 0 DFADMP Cc1[nH+]cc(CN(CCc2ccccn2)Cc2ccncc2)n1C ZINC000668170208 543757476 /nfs/dbraw/zinc/75/74/76/543757476.db2.gz HMKIKSVIEQRXPV-UHFFFAOYSA-N 2 1 321.428 2.763 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1ccnn1CC1CC1 ZINC000668169056 543757865 /nfs/dbraw/zinc/75/78/65/543757865.db2.gz HTQAAIVTIKSRRQ-UHFFFAOYSA-N 2 1 315.465 2.964 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cc1 ZINC000668172109 543758581 /nfs/dbraw/zinc/75/85/81/543758581.db2.gz DNLKCTSHRZAKFI-TXPKVOOTSA-N 2 1 320.477 2.872 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000668172109 543758589 /nfs/dbraw/zinc/75/85/89/543758589.db2.gz DNLKCTSHRZAKFI-TXPKVOOTSA-N 2 1 320.477 2.872 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000668172109 543758591 /nfs/dbraw/zinc/75/85/91/543758591.db2.gz DNLKCTSHRZAKFI-TXPKVOOTSA-N 2 1 320.477 2.872 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000668170878 543758962 /nfs/dbraw/zinc/75/89/62/543758962.db2.gz YWYIUTGHZZJWJH-CQSZACIVSA-N 2 1 313.449 2.579 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000668170878 543758965 /nfs/dbraw/zinc/75/89/65/543758965.db2.gz YWYIUTGHZZJWJH-CQSZACIVSA-N 2 1 313.449 2.579 20 0 DFADMP COc1sc(C[N@H+](C)CC2CN(C)C2)cc1Br ZINC000668539787 543821227 /nfs/dbraw/zinc/82/12/27/543821227.db2.gz MNKJFUGJKRGMKS-UHFFFAOYSA-N 2 1 319.268 2.513 20 0 DFADMP COc1sc(C[N@@H+](C)CC2CN(C)C2)cc1Br ZINC000668539787 543821230 /nfs/dbraw/zinc/82/12/30/543821230.db2.gz MNKJFUGJKRGMKS-UHFFFAOYSA-N 2 1 319.268 2.513 20 0 DFADMP Cc1nc2scc(C3CC3)n2c1C[N@@H+](C)CC1CN(C)C1 ZINC000668539313 543821503 /nfs/dbraw/zinc/82/15/03/543821503.db2.gz SCGSPQIBRZRZLF-UHFFFAOYSA-N 2 1 304.463 2.575 20 0 DFADMP Cc1nc2scc(C3CC3)n2c1C[N@H+](C)CC1CN(C)C1 ZINC000668539313 543821504 /nfs/dbraw/zinc/82/15/04/543821504.db2.gz SCGSPQIBRZRZLF-UHFFFAOYSA-N 2 1 304.463 2.575 20 0 DFADMP CCCc1cccc(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668738950 543857863 /nfs/dbraw/zinc/85/78/63/543857863.db2.gz HJJJNSLBVNCZID-LJQANCHMSA-N 2 1 302.462 2.670 20 0 DFADMP CCCc1cccc(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000668738950 543857867 /nfs/dbraw/zinc/85/78/67/543857867.db2.gz HJJJNSLBVNCZID-LJQANCHMSA-N 2 1 302.462 2.670 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000668740858 543859329 /nfs/dbraw/zinc/85/93/29/543859329.db2.gz XVUUQNWZQBTCSF-DNVCBOLYSA-N 2 1 320.452 2.678 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668784213 543866928 /nfs/dbraw/zinc/86/69/28/543866928.db2.gz CTIAOEDAVVXQJO-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP CCOc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000668784213 543866929 /nfs/dbraw/zinc/86/69/29/543866929.db2.gz CTIAOEDAVVXQJO-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000668785740 543867404 /nfs/dbraw/zinc/86/74/04/543867404.db2.gz WIVZDQXXNUKFDO-KRWDZBQOSA-N 2 1 301.434 2.711 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3COC(C)(C)C3)CC2)oc1C ZINC000669536533 543962278 /nfs/dbraw/zinc/96/22/78/543962278.db2.gz UVDGULPWSQJWKZ-MRXNPFEDSA-N 2 1 321.465 2.661 20 0 DFADMP C[C@H](C[NH+]1CCC(CC(=O)N2CC[NH+](C)CC2)CC1)C(C)(C)C ZINC000670263700 544030738 /nfs/dbraw/zinc/03/07/38/544030738.db2.gz NUKHTLXBQAJNAZ-MRXNPFEDSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442713482 297202529 /nfs/dbraw/zinc/20/25/29/297202529.db2.gz IFSHHBUWIMCWOX-UHFFFAOYSA-N 2 1 317.468 2.818 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000672987678 544163485 /nfs/dbraw/zinc/16/34/85/544163485.db2.gz GZUIGWWYIRJQPV-FGTMMUONSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000672987678 544163487 /nfs/dbraw/zinc/16/34/87/544163487.db2.gz GZUIGWWYIRJQPV-FGTMMUONSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000672987678 544163489 /nfs/dbraw/zinc/16/34/89/544163489.db2.gz GZUIGWWYIRJQPV-FGTMMUONSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673038759 544165579 /nfs/dbraw/zinc/16/55/79/544165579.db2.gz KAOVOEGHAYEWTL-AEFFLSMTSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673038759 544165580 /nfs/dbraw/zinc/16/55/80/544165580.db2.gz KAOVOEGHAYEWTL-AEFFLSMTSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000673038759 544165581 /nfs/dbraw/zinc/16/55/81/544165581.db2.gz KAOVOEGHAYEWTL-AEFFLSMTSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000673038759 544165582 /nfs/dbraw/zinc/16/55/82/544165582.db2.gz KAOVOEGHAYEWTL-AEFFLSMTSA-N 2 1 315.461 2.554 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[C@H](C)[N@H+]2C)cc1 ZINC000673433202 544179742 /nfs/dbraw/zinc/17/97/42/544179742.db2.gz MMYLTMFXKFBDHK-YJBOKZPZSA-N 2 1 317.477 2.741 20 0 DFADMP CC[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291415432 222374967 /nfs/dbraw/zinc/37/49/67/222374967.db2.gz HCBOPLOSEAVGCB-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000674881181 544273097 /nfs/dbraw/zinc/27/30/97/544273097.db2.gz YPSUUOJRIXKQNF-GOEBONIOSA-N 2 1 304.434 2.983 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000674881181 544273099 /nfs/dbraw/zinc/27/30/99/544273099.db2.gz YPSUUOJRIXKQNF-GOEBONIOSA-N 2 1 304.434 2.983 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccccc2OC)[C@@H](C)C1 ZINC000675813758 544338493 /nfs/dbraw/zinc/33/84/93/544338493.db2.gz LCNSCCMHGNONDI-JKSUJKDBSA-N 2 1 306.450 2.784 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCO)CC1)C1(c2ccccc2)CCCC1 ZINC000675889605 544341914 /nfs/dbraw/zinc/34/19/14/544341914.db2.gz PNSXAPGNPUOARL-KRWDZBQOSA-N 2 1 316.489 2.933 20 0 DFADMP C[C@@H]1CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904985 544413701 /nfs/dbraw/zinc/41/37/01/544413701.db2.gz OKWJHKMNHNHXFK-AOIWGVFYSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904985 544413704 /nfs/dbraw/zinc/41/37/04/544413704.db2.gz OKWJHKMNHNHXFK-AOIWGVFYSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904985 544413705 /nfs/dbraw/zinc/41/37/05/544413705.db2.gz OKWJHKMNHNHXFK-AOIWGVFYSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000676904985 544413708 /nfs/dbraw/zinc/41/37/08/544413708.db2.gz OKWJHKMNHNHXFK-AOIWGVFYSA-N 2 1 304.478 2.847 20 0 DFADMP Cc1noc(C)c1CC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000677378521 544480275 /nfs/dbraw/zinc/48/02/75/544480275.db2.gz OUJHQKVOVXNLSX-INIZCTEOSA-N 2 1 314.433 2.971 20 0 DFADMP Cc1noc(C)c1CC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000677378521 544480281 /nfs/dbraw/zinc/48/02/81/544480281.db2.gz OUJHQKVOVXNLSX-INIZCTEOSA-N 2 1 314.433 2.971 20 0 DFADMP CCC(CC)[C@@H](C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000677766810 544538947 /nfs/dbraw/zinc/53/89/47/544538947.db2.gz PEPZIDDEMIKNKO-QAPCUYQASA-N 2 1 323.525 2.686 20 0 DFADMP CCC(CC)[C@H](C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000677766809 544539137 /nfs/dbraw/zinc/53/91/37/544539137.db2.gz PEPZIDDEMIKNKO-MAUKXSAKSA-N 2 1 323.525 2.686 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000677818488 544545584 /nfs/dbraw/zinc/54/55/84/544545584.db2.gz AJBSSMSYZARXMJ-SFHVURJKSA-N 2 1 309.417 2.809 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000677818562 544546263 /nfs/dbraw/zinc/54/62/63/544546263.db2.gz RMKXJGFUFXJJRQ-ROUUACIJSA-N 2 1 310.445 2.650 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000678072983 544594305 /nfs/dbraw/zinc/59/43/05/544594305.db2.gz HFHUKJQLIOKHSE-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC3(C2)CCOCC3)cc1 ZINC000678295568 544646874 /nfs/dbraw/zinc/64/68/74/544646874.db2.gz IXPGRZGGMCDCKS-UHFFFAOYSA-N 2 1 318.461 2.630 20 0 DFADMP Fc1cccc(F)c1-c1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000678343403 544655824 /nfs/dbraw/zinc/65/58/24/544655824.db2.gz SXHDMDQEHFIIMS-VXGBXAGGSA-N 2 1 304.340 2.876 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCOC(C)(C)C)cc1 ZINC000678283798 544643926 /nfs/dbraw/zinc/64/39/26/544643926.db2.gz JMPKUAMEELPEKU-UHFFFAOYSA-N 2 1 308.466 2.874 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000679022446 544769569 /nfs/dbraw/zinc/76/95/69/544769569.db2.gz MVTKRBWESHRQPT-HZPDHXFCSA-N 2 1 314.477 2.919 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000679025461 544769649 /nfs/dbraw/zinc/76/96/49/544769649.db2.gz SNKBIORBLIXCLU-HOCLYGCPSA-N 2 1 312.417 2.513 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000679022445 544770127 /nfs/dbraw/zinc/77/01/27/544770127.db2.gz MVTKRBWESHRQPT-HOTGVXAUSA-N 2 1 314.477 2.919 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000679025460 544770196 /nfs/dbraw/zinc/77/01/96/544770196.db2.gz SNKBIORBLIXCLU-GOEBONIOSA-N 2 1 312.417 2.513 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(-n2cccn2)cc1 ZINC000679024947 544770396 /nfs/dbraw/zinc/77/03/96/544770396.db2.gz GLAFZXXVSHSFDJ-ZBFHGGJFSA-N 2 1 307.401 2.734 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000679076094 544779713 /nfs/dbraw/zinc/77/97/13/544779713.db2.gz QNOUFIPPVSCPKY-UKBAYJJMSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@@H](Nc2cccc(OCCC[NH+](C)C)c2)CC[N@H+]1C ZINC000679147974 544792539 /nfs/dbraw/zinc/79/25/39/544792539.db2.gz MMZVPHDLNSDIGL-WBVHZDCISA-N 2 1 305.466 2.912 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](C)[N@@H+]2CCC[C@@H](C)C2)n1 ZINC000301971741 230011668 /nfs/dbraw/zinc/01/16/68/230011668.db2.gz GOIXWFKOUYFMNU-KGLIPLIRSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)n1 ZINC000301971741 230011670 /nfs/dbraw/zinc/01/16/70/230011670.db2.gz GOIXWFKOUYFMNU-KGLIPLIRSA-N 2 1 314.437 2.503 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679625001 544884775 /nfs/dbraw/zinc/88/47/75/544884775.db2.gz NYKGMYNQNRDXGD-KANFNMMFSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]Cc2ccn(C)c(=O)c2)cc1 ZINC000679824940 544913588 /nfs/dbraw/zinc/91/35/88/544913588.db2.gz OEEWRLPZSRAIDV-AWEZNQCLSA-N 2 1 322.412 2.730 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000679915965 544924388 /nfs/dbraw/zinc/92/43/88/544924388.db2.gz YQOWTHXOLBFXAE-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP CO[C@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953868 544932664 /nfs/dbraw/zinc/93/26/64/544932664.db2.gz XOIAXMAUOABMJR-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP CO[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000680333730 544992786 /nfs/dbraw/zinc/99/27/86/544992786.db2.gz APNNTAAMDSXAHQ-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000155601192 425921712 /nfs/dbraw/zinc/92/17/12/425921712.db2.gz GFJAXHQAUSWJJV-VYDXJSESSA-N 2 1 308.491 2.770 20 0 DFADMP CCC[NH+]1CCC(N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000124492773 425922142 /nfs/dbraw/zinc/92/21/42/425922142.db2.gz VXBNGSOFKBVQET-UHFFFAOYSA-N 2 1 307.507 2.740 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CC2 ZINC000124488763 425922510 /nfs/dbraw/zinc/92/25/10/425922510.db2.gz XLVCZLMVHDSCIC-HXUWFJFHSA-N 2 1 315.505 2.846 20 0 DFADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000156196411 425933983 /nfs/dbraw/zinc/93/39/83/425933983.db2.gz JCHQXSFIESPDGQ-AOIWGVFYSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000156196411 425933986 /nfs/dbraw/zinc/93/39/86/425933986.db2.gz JCHQXSFIESPDGQ-AOIWGVFYSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000156196411 425933990 /nfs/dbraw/zinc/93/39/90/425933990.db2.gz JCHQXSFIESPDGQ-AOIWGVFYSA-N 2 1 303.494 2.969 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000192445916 268036337 /nfs/dbraw/zinc/03/63/37/268036337.db2.gz XBVQPMXPKWXJOI-KLAILNCOSA-N 2 1 310.482 2.676 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@@H](C)C2)CC1 ZINC000192439887 268036974 /nfs/dbraw/zinc/03/69/74/268036974.db2.gz KPOCXZFGBAPZLG-IDMDMSBLSA-N 2 1 310.482 2.818 20 0 DFADMP COc1ncccc1C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193549515 268072325 /nfs/dbraw/zinc/07/23/25/268072325.db2.gz IHOLUZJTPRRFIH-GDBMZVCRSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ncccc1C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549515 268072328 /nfs/dbraw/zinc/07/23/28/268072328.db2.gz IHOLUZJTPRRFIH-GDBMZVCRSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000195307045 268132627 /nfs/dbraw/zinc/13/26/27/268132627.db2.gz KLVQYOBEMFINCR-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CCN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000223170217 268142498 /nfs/dbraw/zinc/14/24/98/268142498.db2.gz PESMTACBVNMYJK-LSDHHAIUSA-N 2 1 313.486 2.706 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000236825891 268151826 /nfs/dbraw/zinc/15/18/26/268151826.db2.gz AIMQHSBZRILMAU-ZACQAIPSSA-N 2 1 309.498 2.521 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000263700037 268170712 /nfs/dbraw/zinc/17/07/12/268170712.db2.gz LIWONUKFHBCXIO-UHFFFAOYSA-N 2 1 321.440 2.959 20 0 DFADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@H]3C)C2)c1 ZINC000268867562 268186407 /nfs/dbraw/zinc/18/64/07/268186407.db2.gz TUYLKPJCRZLQJU-PASDCYSWSA-N 2 1 317.477 2.592 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000269026408 268187374 /nfs/dbraw/zinc/18/73/74/268187374.db2.gz QPNQUGCBLCBCHK-IIAWOOMASA-N 2 1 304.434 2.809 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000269026408 268187377 /nfs/dbraw/zinc/18/73/77/268187377.db2.gz QPNQUGCBLCBCHK-IIAWOOMASA-N 2 1 304.434 2.809 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000270603614 268190474 /nfs/dbraw/zinc/19/04/74/268190474.db2.gz HDDNGGFBRJEJIV-IBGZPJMESA-N 2 1 312.461 2.788 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000270603614 268190477 /nfs/dbraw/zinc/19/04/77/268190477.db2.gz HDDNGGFBRJEJIV-IBGZPJMESA-N 2 1 312.461 2.788 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)c1 ZINC000270650349 268195888 /nfs/dbraw/zinc/19/58/88/268195888.db2.gz QIBWKKKWDRJBCY-IEBWSBKVSA-N 2 1 312.461 2.692 20 0 DFADMP CCC[N@H+](CCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000270683199 268201393 /nfs/dbraw/zinc/20/13/93/268201393.db2.gz VQLDQXABFJVMMC-HNNXBMFYSA-N 2 1 314.433 2.931 20 0 DFADMP CCC[N@@H+](CCn1cc[nH+]c1C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000270683199 268201394 /nfs/dbraw/zinc/20/13/94/268201394.db2.gz VQLDQXABFJVMMC-HNNXBMFYSA-N 2 1 314.433 2.931 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000274525196 268257551 /nfs/dbraw/zinc/25/75/51/268257551.db2.gz SVRZRTSTHSPHQW-MSOLQXFVSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000274525196 268257552 /nfs/dbraw/zinc/25/75/52/268257552.db2.gz SVRZRTSTHSPHQW-MSOLQXFVSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000274525196 268257553 /nfs/dbraw/zinc/25/75/53/268257553.db2.gz SVRZRTSTHSPHQW-MSOLQXFVSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000274525196 268257555 /nfs/dbraw/zinc/25/75/55/268257555.db2.gz SVRZRTSTHSPHQW-MSOLQXFVSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(N2CCCC2)n1 ZINC000289761167 268281646 /nfs/dbraw/zinc/28/16/46/268281646.db2.gz LPTGQGSWVUGUDE-MSOLQXFVSA-N 2 1 314.477 2.707 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc(N2CCCC2)n1 ZINC000289761167 268281649 /nfs/dbraw/zinc/28/16/49/268281649.db2.gz LPTGQGSWVUGUDE-MSOLQXFVSA-N 2 1 314.477 2.707 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H](O)CC ZINC000313099576 268338407 /nfs/dbraw/zinc/33/84/07/268338407.db2.gz FPNBWHPIRLHWHR-MOPGFXCFSA-N 2 1 304.478 2.833 20 0 DFADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000313123474 268338887 /nfs/dbraw/zinc/33/88/87/268338887.db2.gz STKYGTLNMPQHDT-OKYOBFRVSA-N 2 1 314.473 2.912 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000319597594 268346931 /nfs/dbraw/zinc/34/69/31/268346931.db2.gz XMPBXMNTIYBSPF-HBUWYVDXSA-N 2 1 304.434 2.653 20 0 DFADMP CON1CCC([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000323476840 268349870 /nfs/dbraw/zinc/34/98/70/268349870.db2.gz KZSOUEYSDCWUHY-FUHWJXTLSA-N 2 1 317.477 2.512 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333289187 268389272 /nfs/dbraw/zinc/38/92/72/268389272.db2.gz OCPZGHSJOLVRFI-ZTCUZBCZSA-N 2 1 313.445 2.549 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000049553789 425879701 /nfs/dbraw/zinc/87/97/01/425879701.db2.gz JKOKDCXOWQWMSO-GFCCVEGCSA-N 2 1 312.841 2.931 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789607 425938893 /nfs/dbraw/zinc/93/88/93/425938893.db2.gz ODWDRIZPRKSFIX-JLSDUUJJSA-N 2 1 307.457 2.748 20 0 DFADMP CC[N@@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC000124789607 425938895 /nfs/dbraw/zinc/93/88/95/425938895.db2.gz ODWDRIZPRKSFIX-JLSDUUJJSA-N 2 1 307.457 2.748 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC000124789607 425938898 /nfs/dbraw/zinc/93/88/98/425938898.db2.gz ODWDRIZPRKSFIX-JLSDUUJJSA-N 2 1 307.457 2.748 20 0 DFADMP C[C@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148600 425983510 /nfs/dbraw/zinc/98/35/10/425983510.db2.gz RMSGSVTVMSIGRG-GFCCVEGCSA-N 2 1 316.276 2.891 20 0 DFADMP C[C@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148600 425983511 /nfs/dbraw/zinc/98/35/11/425983511.db2.gz RMSGSVTVMSIGRG-GFCCVEGCSA-N 2 1 316.276 2.891 20 0 DFADMP CCN(CC[C@H]1CCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833829 425941004 /nfs/dbraw/zinc/94/10/04/425941004.db2.gz DXOCHRMEODQJIK-HZPDHXFCSA-N 2 1 304.434 2.633 20 0 DFADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833829 425941008 /nfs/dbraw/zinc/94/10/08/425941008.db2.gz DXOCHRMEODQJIK-HZPDHXFCSA-N 2 1 304.434 2.633 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833829 425941010 /nfs/dbraw/zinc/94/10/10/425941010.db2.gz DXOCHRMEODQJIK-HZPDHXFCSA-N 2 1 304.434 2.633 20 0 DFADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833829 425941013 /nfs/dbraw/zinc/94/10/13/425941013.db2.gz DXOCHRMEODQJIK-HZPDHXFCSA-N 2 1 304.434 2.633 20 0 DFADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833829 425941016 /nfs/dbraw/zinc/94/10/16/425941016.db2.gz DXOCHRMEODQJIK-HZPDHXFCSA-N 2 1 304.434 2.633 20 0 DFADMP CN(c1nc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cs1)C1CC1 ZINC000158754476 425947047 /nfs/dbraw/zinc/94/70/47/425947047.db2.gz CXAKIKUUZKKCOI-CJNGLKHVSA-N 2 1 320.506 2.658 20 0 DFADMP COC(=O)CCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158844017 425948544 /nfs/dbraw/zinc/94/85/44/425948544.db2.gz HJIPAXNXWIRLRU-MRXNPFEDSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158910620 425949832 /nfs/dbraw/zinc/94/98/32/425949832.db2.gz QGRPTRRYRYISDQ-VDZJLULYSA-N 2 1 302.462 2.602 20 0 DFADMP CC(C)[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CCC1 ZINC000159204747 425956929 /nfs/dbraw/zinc/95/69/29/425956929.db2.gz OYSGKSCGAOYRJY-SFHVURJKSA-N 2 1 317.477 2.668 20 0 DFADMP CCn1c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)nc2ccccc21 ZINC000105442736 425967440 /nfs/dbraw/zinc/96/74/40/425967440.db2.gz FVHCZCIIQWTEAR-AWEZNQCLSA-N 2 1 311.433 2.987 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070170990 425968455 /nfs/dbraw/zinc/96/84/55/425968455.db2.gz NJEWOXQQSCEDIX-CYBMUJFWSA-N 2 1 309.841 2.729 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125478797 425974400 /nfs/dbraw/zinc/97/44/00/425974400.db2.gz MVWRECGOQNZWQC-YJBOKZPZSA-N 3 1 321.534 2.890 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125478797 425974403 /nfs/dbraw/zinc/97/44/03/425974403.db2.gz MVWRECGOQNZWQC-YJBOKZPZSA-N 2 1 321.534 2.890 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2cc(OC)ccn2)C1 ZINC000106860974 425976322 /nfs/dbraw/zinc/97/63/22/425976322.db2.gz GNGFBDLELBKRJN-HNNXBMFYSA-N 2 1 300.406 2.686 20 0 DFADMP COC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000126616648 426029000 /nfs/dbraw/zinc/02/90/00/426029000.db2.gz NWYHEQAIICMISD-HRVKUGKESA-N 2 1 302.462 2.849 20 0 DFADMP COC[C@H](Cc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000126616648 426029004 /nfs/dbraw/zinc/02/90/04/426029004.db2.gz NWYHEQAIICMISD-HRVKUGKESA-N 2 1 302.462 2.849 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ncc[nH]1)c1ccccc1 ZINC000126707992 426033122 /nfs/dbraw/zinc/03/31/22/426033122.db2.gz MJFZZMBKGQTRRO-RHSMWYFYSA-N 2 1 309.417 2.930 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(C3CC3)n2)CC1 ZINC000161681967 426034737 /nfs/dbraw/zinc/03/47/37/426034737.db2.gz SIXBJIRMDZILPS-CYBMUJFWSA-N 2 1 323.506 2.545 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(C3CC3)n2)CC1 ZINC000161681967 426034739 /nfs/dbraw/zinc/03/47/39/426034739.db2.gz SIXBJIRMDZILPS-CYBMUJFWSA-N 2 1 323.506 2.545 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111240444 426040851 /nfs/dbraw/zinc/04/08/51/426040851.db2.gz KVCCCKQSCRQNSZ-UHFFFAOYSA-N 2 1 313.445 2.834 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872867 426043497 /nfs/dbraw/zinc/04/34/97/426043497.db2.gz QAMNNOVQIGJWBA-IJEWVQPXSA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872867 426043500 /nfs/dbraw/zinc/04/35/00/426043500.db2.gz QAMNNOVQIGJWBA-IJEWVQPXSA-N 2 1 304.434 2.666 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cncs3)CC2)nc(C)[nH+]1 ZINC000162255803 426057952 /nfs/dbraw/zinc/05/79/52/426057952.db2.gz GWNIQBMFKYQXEU-GFCCVEGCSA-N 2 1 317.462 2.870 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)CC[N@@H+]1C ZINC000162386570 426062746 /nfs/dbraw/zinc/06/27/46/426062746.db2.gz NDPKAVJUVUCDDM-WBVHZDCISA-N 2 1 302.466 2.644 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)CC[N@H+]1C ZINC000162386570 426062749 /nfs/dbraw/zinc/06/27/49/426062749.db2.gz NDPKAVJUVUCDDM-WBVHZDCISA-N 2 1 302.466 2.644 20 0 DFADMP COC(=O)[C@H](C)[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000127450299 426066840 /nfs/dbraw/zinc/06/68/40/426066840.db2.gz OCGISOAHFRCTSX-RHSMWYFYSA-N 2 1 315.417 2.722 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2cccc(C(=O)OC(C)(C)C)c2)CC1 ZINC000126215303 426010443 /nfs/dbraw/zinc/01/04/43/426010443.db2.gz NKCTVAKECAVSCW-UHFFFAOYSA-N 2 1 304.434 2.826 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+](C2CC2)CC1 ZINC000127928629 426093059 /nfs/dbraw/zinc/09/30/59/426093059.db2.gz UUSPWOMYDZQHJU-UHFFFAOYSA-N 2 1 315.505 2.925 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243256 426093216 /nfs/dbraw/zinc/09/32/16/426093216.db2.gz PBPFUOKIIRJQIC-GOEBONIOSA-N 2 1 304.434 2.840 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc2c(c1)OCCO2 ZINC000163243376 426093610 /nfs/dbraw/zinc/09/36/10/426093610.db2.gz PBPFUOKIIRJQIC-ZBFHGGJFSA-N 2 1 304.434 2.840 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c(C)s1 ZINC000127970348 426095044 /nfs/dbraw/zinc/09/50/44/426095044.db2.gz JSNPLJOLLQEARK-HIFRSBDPSA-N 2 1 323.506 2.603 20 0 DFADMP CCOC(=O)CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109789 426100931 /nfs/dbraw/zinc/10/09/31/426100931.db2.gz BMSZGLKTDIWQEY-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CCOC(=O)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109789 426100934 /nfs/dbraw/zinc/10/09/34/426100934.db2.gz BMSZGLKTDIWQEY-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CCOC(=O)CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109789 426100938 /nfs/dbraw/zinc/10/09/38/426100938.db2.gz BMSZGLKTDIWQEY-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CC(C)(C)[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128116646 426102616 /nfs/dbraw/zinc/10/26/16/426102616.db2.gz YRONTCHUSUWNBH-GVDBMIGSSA-N 2 1 323.525 2.768 20 0 DFADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000128224726 426107528 /nfs/dbraw/zinc/10/75/28/426107528.db2.gz DRQSRPTWVWCOEI-XMTFNYHQSA-N 2 1 323.525 2.624 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccn1 ZINC000128253239 426109041 /nfs/dbraw/zinc/10/90/41/426109041.db2.gz GGSCGCRTUKJSPA-LJQANCHMSA-N 2 1 318.509 2.786 20 0 DFADMP CC(C)N(CC[C@@H]1CCC[N@H+]1C)CC(=O)Nc1ccc(F)cc1 ZINC000128273871 426109914 /nfs/dbraw/zinc/10/99/14/426109914.db2.gz UAQKXNJQXNYTQU-KRWDZBQOSA-N 2 1 321.440 2.959 20 0 DFADMP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000128266378 426110505 /nfs/dbraw/zinc/11/05/05/426110505.db2.gz SFKIFWLRPPXFCT-LESCRADOSA-N 2 1 306.450 2.580 20 0 DFADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128372713 426113976 /nfs/dbraw/zinc/11/39/76/426113976.db2.gz CTSVPZZPGLMBKB-QGZVFWFLSA-N 2 1 319.493 2.682 20 0 DFADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2)CC1 ZINC000164559200 426116057 /nfs/dbraw/zinc/11/60/57/426116057.db2.gz JPPZPDUHNZNEST-MRXNPFEDSA-N 2 1 319.474 2.520 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000113514723 426116725 /nfs/dbraw/zinc/11/67/25/426116725.db2.gz ZFFPBKASFJDYBM-CYBMUJFWSA-N 2 1 316.367 2.968 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000113514723 426116729 /nfs/dbraw/zinc/11/67/29/426116729.db2.gz ZFFPBKASFJDYBM-CYBMUJFWSA-N 2 1 316.367 2.968 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(F)cc(F)c1 ZINC000128442958 426117506 /nfs/dbraw/zinc/11/75/06/426117506.db2.gz WMQFSNBLRANIOX-CQSZACIVSA-N 2 1 311.420 2.643 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000114455319 426135619 /nfs/dbraw/zinc/13/56/19/426135619.db2.gz JYBPQKHHROTQPE-AWEZNQCLSA-N 2 1 323.506 2.730 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2cccs2)CC1 ZINC000114455319 426135623 /nfs/dbraw/zinc/13/56/23/426135623.db2.gz JYBPQKHHROTQPE-AWEZNQCLSA-N 2 1 323.506 2.730 20 0 DFADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000114456323 426136151 /nfs/dbraw/zinc/13/61/51/426136151.db2.gz HACWVDIKWFKTRU-UHFFFAOYSA-N 2 1 309.498 2.628 20 0 DFADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000127587272 426074053 /nfs/dbraw/zinc/07/40/53/426074053.db2.gz AOHFAXMOLGKUOS-CABCVRRESA-N 2 1 308.466 2.955 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)cc2)n1 ZINC000114479581 426137637 /nfs/dbraw/zinc/13/76/37/426137637.db2.gz GTHLOKPVCVHSIJ-SFHVURJKSA-N 2 1 312.461 2.873 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1cccnc1 ZINC000112517307 426080721 /nfs/dbraw/zinc/08/07/21/426080721.db2.gz QGNKIGKYTOWYHS-INIZCTEOSA-N 2 1 311.429 2.765 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834524 426086850 /nfs/dbraw/zinc/08/68/50/426086850.db2.gz YPQGRORTUPYLSA-QGZVFWFLSA-N 2 1 316.445 2.781 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834524 426086852 /nfs/dbraw/zinc/08/68/52/426086852.db2.gz YPQGRORTUPYLSA-QGZVFWFLSA-N 2 1 316.445 2.781 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000129609650 426140201 /nfs/dbraw/zinc/14/02/01/426140201.db2.gz LKWZEJBIGSLATK-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000129609650 426140203 /nfs/dbraw/zinc/14/02/03/426140203.db2.gz LKWZEJBIGSLATK-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000129609650 426140205 /nfs/dbraw/zinc/14/02/05/426140205.db2.gz LKWZEJBIGSLATK-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c2O1 ZINC000078005830 426154415 /nfs/dbraw/zinc/15/44/15/426154415.db2.gz MZOBZKKNPKAUOX-CQSZACIVSA-N 2 1 300.446 2.974 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c2O1 ZINC000078005830 426154418 /nfs/dbraw/zinc/15/44/18/426154418.db2.gz MZOBZKKNPKAUOX-CQSZACIVSA-N 2 1 300.446 2.974 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000130381463 426156413 /nfs/dbraw/zinc/15/64/13/426156413.db2.gz VOVHQKGUSZNGMC-VQIMIIECSA-N 2 1 312.461 2.735 20 0 DFADMP CCOc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000078456444 426170644 /nfs/dbraw/zinc/17/06/44/426170644.db2.gz ILQHCUFZZAFLSD-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP CCCCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000116281091 426186102 /nfs/dbraw/zinc/18/61/02/426186102.db2.gz YATPUHLHCDPHJX-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000116281091 426186104 /nfs/dbraw/zinc/18/61/04/426186104.db2.gz YATPUHLHCDPHJX-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000116281091 426186107 /nfs/dbraw/zinc/18/61/07/426186107.db2.gz YATPUHLHCDPHJX-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134911124 426199470 /nfs/dbraw/zinc/19/94/70/426199470.db2.gz FVYGLUJEYNXFLD-YZGWKJHDSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134911124 426199473 /nfs/dbraw/zinc/19/94/73/426199473.db2.gz FVYGLUJEYNXFLD-YZGWKJHDSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134911124 426199476 /nfs/dbraw/zinc/19/94/76/426199476.db2.gz FVYGLUJEYNXFLD-YZGWKJHDSA-N 2 1 314.473 2.539 20 0 DFADMP Cc1nc(C)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)s1 ZINC000172793100 426231910 /nfs/dbraw/zinc/23/19/10/426231910.db2.gz FEVHZWDWENORTM-UHFFFAOYSA-N 2 1 304.463 2.948 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000136296876 426239914 /nfs/dbraw/zinc/23/99/14/426239914.db2.gz JOZRNVGORBTHIN-UHFFFAOYSA-N 2 1 310.401 2.555 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccccc2[nH]c1=O ZINC000136296876 426239916 /nfs/dbraw/zinc/23/99/16/426239916.db2.gz JOZRNVGORBTHIN-UHFFFAOYSA-N 2 1 310.401 2.555 20 0 DFADMP c1cnn(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)c1 ZINC000150764760 426260649 /nfs/dbraw/zinc/26/06/49/426260649.db2.gz UKOFTQNMZVVZOW-GOSISDBHSA-N 2 1 310.445 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119113249 426263634 /nfs/dbraw/zinc/26/36/34/426263634.db2.gz JVPHIVISLZFTGN-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119113249 426263637 /nfs/dbraw/zinc/26/36/37/426263637.db2.gz JVPHIVISLZFTGN-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119113249 426263640 /nfs/dbraw/zinc/26/36/40/426263640.db2.gz JVPHIVISLZFTGN-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113249 426263641 /nfs/dbraw/zinc/26/36/41/426263641.db2.gz JVPHIVISLZFTGN-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113249 426263644 /nfs/dbraw/zinc/26/36/44/426263644.db2.gz JVPHIVISLZFTGN-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712814 426264131 /nfs/dbraw/zinc/26/41/31/426264131.db2.gz YZEPXXYHCSXRRV-AWEZNQCLSA-N 2 1 311.420 2.595 20 0 DFADMP CC(C)C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000119256175 426272822 /nfs/dbraw/zinc/27/28/22/426272822.db2.gz GGIBHRFTWKDYPH-KRWDZBQOSA-N 2 1 323.525 2.734 20 0 DFADMP c1oc2ccccc2c1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119515599 426294921 /nfs/dbraw/zinc/29/49/21/426294921.db2.gz PCWXPJGXAZGRFC-UHFFFAOYSA-N 2 1 313.445 2.646 20 0 DFADMP C[NH+](C)CC1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000119848620 426303338 /nfs/dbraw/zinc/30/33/38/426303338.db2.gz IWRLEOZDJVBCJX-VMWRSERWSA-N 2 1 317.477 2.526 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCC[NH+](C)C)ccc1OC(F)F ZINC000151920935 426319184 /nfs/dbraw/zinc/31/91/84/426319184.db2.gz SAAOJDDSFPCIDE-LLVKDONJSA-N 2 1 302.365 2.899 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(C3CC3)s2)CC1 ZINC000121150940 426321596 /nfs/dbraw/zinc/32/15/96/426321596.db2.gz BZXJZUJJTRAZIG-CYBMUJFWSA-N 2 1 323.506 2.545 20 0 DFADMP C[NH+]1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000121190125 426323759 /nfs/dbraw/zinc/32/37/59/426323759.db2.gz XTGJLAAXDSTYCH-UHFFFAOYSA-N 3 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1(c2ccc(F)cc2)CCOCC1 ZINC000152054452 426324018 /nfs/dbraw/zinc/32/40/18/426324018.db2.gz HQPHASQCOHVLMF-YJBOKZPZSA-N 2 1 320.452 2.804 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCN2CCCc3ccccc32)CC[N@@H+]1C ZINC000090551654 426328034 /nfs/dbraw/zinc/32/80/34/426328034.db2.gz PBRVZADTXWKGBV-FUHWJXTLSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCN2CCCc3ccccc32)CC[N@H+]1C ZINC000090551654 426328037 /nfs/dbraw/zinc/32/80/37/426328037.db2.gz PBRVZADTXWKGBV-FUHWJXTLSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCN2CCCc3ccccc32)CC[NH+]1C ZINC000090551654 426328039 /nfs/dbraw/zinc/32/80/39/426328039.db2.gz PBRVZADTXWKGBV-FUHWJXTLSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCN2CCCc3ccccc32)CC[NH+]1C ZINC000090551654 426328041 /nfs/dbraw/zinc/32/80/41/426328041.db2.gz PBRVZADTXWKGBV-FUHWJXTLSA-N 2 1 301.478 2.854 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000090720343 426330933 /nfs/dbraw/zinc/33/09/33/426330933.db2.gz UBZIJGDQCRISNX-AAEUAGOBSA-N 2 1 312.841 2.930 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc(Cl)c1OC ZINC000090720343 426330935 /nfs/dbraw/zinc/33/09/35/426330935.db2.gz UBZIJGDQCRISNX-AAEUAGOBSA-N 2 1 312.841 2.930 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)cn1 ZINC000121359879 426336273 /nfs/dbraw/zinc/33/62/73/426336273.db2.gz LUHCAIISBHRYBV-JQHSSLGASA-N 2 1 324.428 2.623 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000152285845 426336673 /nfs/dbraw/zinc/33/66/73/426336673.db2.gz YVZJAPUXWUBQST-QFHJOOASSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152285845 426336681 /nfs/dbraw/zinc/33/66/81/426336681.db2.gz YVZJAPUXWUBQST-QFHJOOASSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000152285845 426336684 /nfs/dbraw/zinc/33/66/84/426336684.db2.gz YVZJAPUXWUBQST-QFHJOOASSA-N 2 1 301.478 2.579 20 0 DFADMP CCC[N@H+](CCOCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000152325425 426338484 /nfs/dbraw/zinc/33/84/84/426338484.db2.gz RAPODPSJEYHQIS-UHFFFAOYSA-N 2 1 320.481 2.811 20 0 DFADMP CCC[N@@H+](CCOCC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000152325425 426338486 /nfs/dbraw/zinc/33/84/86/426338486.db2.gz RAPODPSJEYHQIS-UHFFFAOYSA-N 2 1 320.481 2.811 20 0 DFADMP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151253317 426286040 /nfs/dbraw/zinc/28/60/40/426286040.db2.gz BPPPVZQABJMZJL-VCBZYWHSSA-N 2 1 320.452 2.886 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCC2 ZINC000151272380 426286787 /nfs/dbraw/zinc/28/67/87/426286787.db2.gz SJLDSKHQFOSTCG-DNVCBOLYSA-N 2 1 302.462 2.673 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000122836582 426397531 /nfs/dbraw/zinc/39/75/31/426397531.db2.gz XIKIBERRLJNAKM-AWEZNQCLSA-N 2 1 318.461 2.851 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc2ccccc21 ZINC000122833474 426397566 /nfs/dbraw/zinc/39/75/66/426397566.db2.gz NFQZNJXDZDEBFE-UHFFFAOYSA-N 2 1 311.473 2.909 20 0 DFADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122854213 426399183 /nfs/dbraw/zinc/39/91/83/426399183.db2.gz GHEVZTBVFOPLCI-HNNXBMFYSA-N 2 1 309.885 2.970 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CCOC2)cc1F ZINC000153695318 426400934 /nfs/dbraw/zinc/40/09/34/426400934.db2.gz UZJZQGLCVIXSRA-WFASDCNBSA-N 2 1 303.381 2.834 20 0 DFADMP CN(Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152378690 426341792 /nfs/dbraw/zinc/34/17/92/426341792.db2.gz PBCQJWULQIKSLQ-CYBMUJFWSA-N 2 1 324.852 2.885 20 0 DFADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000152378690 426341794 /nfs/dbraw/zinc/34/17/94/426341794.db2.gz PBCQJWULQIKSLQ-CYBMUJFWSA-N 2 1 324.852 2.885 20 0 DFADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000152378690 426341796 /nfs/dbraw/zinc/34/17/96/426341796.db2.gz PBCQJWULQIKSLQ-CYBMUJFWSA-N 2 1 324.852 2.885 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408905 426342318 /nfs/dbraw/zinc/34/23/18/426342318.db2.gz RQEUDFLSYXFNCZ-WMLDXEAASA-N 2 1 316.445 2.983 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000121477388 426346224 /nfs/dbraw/zinc/34/62/24/426346224.db2.gz KGDICSPIJVDRPW-UONOGXRCSA-N 2 1 315.417 2.950 20 0 DFADMP C[NH+](C/C=C/C[N@@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000153017082 426366374 /nfs/dbraw/zinc/36/63/74/426366374.db2.gz ULLMJRKOLXRJIU-BQYQJAHWSA-N 2 1 324.472 2.682 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cncs1 ZINC000122317020 426369390 /nfs/dbraw/zinc/36/93/90/426369390.db2.gz ITLHIZCWBXJDSG-ZDUSSCGKSA-N 2 1 305.447 2.934 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000122780406 426393294 /nfs/dbraw/zinc/39/32/94/426393294.db2.gz WJGGCZDBAYFLFF-FUHIMQAGSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000122780406 426393298 /nfs/dbraw/zinc/39/32/98/426393298.db2.gz WJGGCZDBAYFLFF-FUHIMQAGSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000122780406 426393303 /nfs/dbraw/zinc/39/33/03/426393303.db2.gz WJGGCZDBAYFLFF-FUHIMQAGSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122780406 426393305 /nfs/dbraw/zinc/39/33/05/426393305.db2.gz WJGGCZDBAYFLFF-FUHIMQAGSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122780406 426393308 /nfs/dbraw/zinc/39/33/08/426393308.db2.gz WJGGCZDBAYFLFF-FUHIMQAGSA-N 2 1 315.505 2.753 20 0 DFADMP CC[N@H+]1CC[C@H](NCCC[NH+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122770990 426393981 /nfs/dbraw/zinc/39/39/81/426393981.db2.gz VQVPEPVIDAPFJZ-XLIONFOSSA-N 2 1 315.505 2.755 20 0 DFADMP CC[NH+]1CC[C@H](NCCC[N@@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122770990 426393985 /nfs/dbraw/zinc/39/39/85/426393985.db2.gz VQVPEPVIDAPFJZ-XLIONFOSSA-N 2 1 315.505 2.755 20 0 DFADMP CC[NH+]1CC[C@H](NCCC[N@H+]2CCc3ccccc3C2)[C@H](C)C1 ZINC000122770990 426393988 /nfs/dbraw/zinc/39/39/88/426393988.db2.gz VQVPEPVIDAPFJZ-XLIONFOSSA-N 2 1 315.505 2.755 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122770990 426393990 /nfs/dbraw/zinc/39/39/90/426393990.db2.gz VQVPEPVIDAPFJZ-XLIONFOSSA-N 2 1 315.505 2.755 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc3C2)[C@H](C)C1 ZINC000122770990 426393993 /nfs/dbraw/zinc/39/39/93/426393993.db2.gz VQVPEPVIDAPFJZ-XLIONFOSSA-N 2 1 315.505 2.755 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000122999326 426407464 /nfs/dbraw/zinc/40/74/64/426407464.db2.gz QQBZDICQHKOHSG-VQIMIIECSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000122999326 426407468 /nfs/dbraw/zinc/40/74/68/426407468.db2.gz QQBZDICQHKOHSG-VQIMIIECSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@H](NCc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000122999326 426407471 /nfs/dbraw/zinc/40/74/71/426407471.db2.gz QQBZDICQHKOHSG-VQIMIIECSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@H](NCc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000122999326 426407475 /nfs/dbraw/zinc/40/74/75/426407475.db2.gz QQBZDICQHKOHSG-VQIMIIECSA-N 2 1 301.478 2.855 20 0 DFADMP CCOc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153840319 426409214 /nfs/dbraw/zinc/40/92/14/426409214.db2.gz YUKJBQGHIYBMKJ-DZKIICNBSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153840319 426409220 /nfs/dbraw/zinc/40/92/20/426409220.db2.gz YUKJBQGHIYBMKJ-DZKIICNBSA-N 2 1 306.450 2.912 20 0 DFADMP C(CC[NH+]1CCOC2(CCC2)C1)CC[N@H+]1CCOC2(CCC2)C1 ZINC000154109398 426425198 /nfs/dbraw/zinc/42/51/98/426425198.db2.gz HTOHLKQYSLCUQQ-UHFFFAOYSA-N 2 1 322.493 2.667 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000340466772 268978505 /nfs/dbraw/zinc/97/85/05/268978505.db2.gz RJXBNJCNBFJVLJ-FZMZJTMJSA-N 2 1 301.356 2.573 20 0 DFADMP COC(=O)c1cc(F)ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123402153 426431570 /nfs/dbraw/zinc/43/15/70/426431570.db2.gz GSHBNJIMVQQUNC-IUODEOHRSA-N 2 1 308.397 2.527 20 0 DFADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340976050 269031195 /nfs/dbraw/zinc/03/11/95/269031195.db2.gz JMNUEDGWKTYEOX-WBVHZDCISA-N 2 1 323.868 2.543 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340976050 269031198 /nfs/dbraw/zinc/03/11/98/269031198.db2.gz JMNUEDGWKTYEOX-WBVHZDCISA-N 2 1 323.868 2.543 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340976050 269031201 /nfs/dbraw/zinc/03/12/01/269031201.db2.gz JMNUEDGWKTYEOX-WBVHZDCISA-N 2 1 323.868 2.543 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000340976050 269031202 /nfs/dbraw/zinc/03/12/02/269031202.db2.gz JMNUEDGWKTYEOX-WBVHZDCISA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000341332200 269071023 /nfs/dbraw/zinc/07/10/23/269071023.db2.gz SOUXREDPZMDGRQ-BHEBFOIGSA-N 2 1 302.462 2.646 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C(C)(C)C)[C@H](C)C1 ZINC000154928364 426459505 /nfs/dbraw/zinc/45/95/05/426459505.db2.gz MJWCZJPURHPCHF-IKGGRYGDSA-N 2 1 314.514 2.774 20 0 DFADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000155202572 426466186 /nfs/dbraw/zinc/46/61/86/426466186.db2.gz STIASULHHRFELC-HOCLYGCPSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000124265073 426477263 /nfs/dbraw/zinc/47/72/63/426477263.db2.gz CPJWZOFVTKKBQC-PRLABOORSA-N 2 1 310.482 2.959 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000124265073 426477265 /nfs/dbraw/zinc/47/72/65/426477265.db2.gz CPJWZOFVTKKBQC-PRLABOORSA-N 2 1 310.482 2.959 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccn(C)c3)c2)CCO1 ZINC000124276167 426478202 /nfs/dbraw/zinc/47/82/02/426478202.db2.gz XRQYTFRBIAXAPV-INIZCTEOSA-N 2 1 313.445 2.536 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccn(C)c3)c2)CCO1 ZINC000124276167 426478204 /nfs/dbraw/zinc/47/82/04/426478204.db2.gz XRQYTFRBIAXAPV-INIZCTEOSA-N 2 1 313.445 2.536 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000098143824 426480289 /nfs/dbraw/zinc/48/02/89/426480289.db2.gz ONVIRLJTRYCRMW-MJGOQNOKSA-N 2 1 320.477 2.829 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc(OC)cc1 ZINC000098143822 426480402 /nfs/dbraw/zinc/48/04/02/426480402.db2.gz ONVIRLJTRYCRMW-HKUYNNGSSA-N 2 1 320.477 2.829 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cccnc3)CC2)C[C@H](C)O1 ZINC000177479292 426482889 /nfs/dbraw/zinc/48/28/89/426482889.db2.gz BWVXNVMLEPOCPN-CALCHBBNSA-N 2 1 317.477 2.793 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124395678 426483086 /nfs/dbraw/zinc/48/30/86/426483086.db2.gz INGKVZHSGNOSNI-OXQOHEQNSA-N 2 1 315.505 2.783 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2sccc2C1 ZINC000177864226 426529800 /nfs/dbraw/zinc/52/98/00/426529800.db2.gz LNBXDCRPFTYRJH-LZWOXQAQSA-N 2 1 307.507 2.567 20 0 DFADMP C[C@@H](NCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272457483 426530096 /nfs/dbraw/zinc/53/00/96/426530096.db2.gz KARUTJLZOPQVBJ-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]([NH2+]CCN1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272457483 426530103 /nfs/dbraw/zinc/53/01/03/426530103.db2.gz KARUTJLZOPQVBJ-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)[nH+]1 ZINC000195516207 426533760 /nfs/dbraw/zinc/53/37/60/426533760.db2.gz YTVATWMJOFSPSU-WMZOPIPTSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3)C2)[nH+]1 ZINC000195516207 426533766 /nfs/dbraw/zinc/53/37/66/426533766.db2.gz YTVATWMJOFSPSU-WMZOPIPTSA-N 2 1 311.429 2.857 20 0 DFADMP CC(C)[C@@H](C[NH+]1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000280303878 426545830 /nfs/dbraw/zinc/54/58/30/426545830.db2.gz PTCXTCYGXMUXLI-LJQANCHMSA-N 2 1 304.478 2.815 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]1Cn1ccnc1 ZINC000177993489 426552507 /nfs/dbraw/zinc/55/25/07/426552507.db2.gz NUVJFCUCIKMRPR-INIZCTEOSA-N 2 1 308.385 2.802 20 0 DFADMP CCCn1nc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1C ZINC000177577449 426496797 /nfs/dbraw/zinc/49/67/97/426496797.db2.gz LFLUXNSUSXCFHK-ZDUSSCGKSA-N 2 1 303.454 2.841 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc2c(c1)CCO2 ZINC000178070312 426567413 /nfs/dbraw/zinc/56/74/13/426567413.db2.gz WBZMPQIVXSNIQP-MAUKXSAKSA-N 2 1 318.461 2.509 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000289113788 426585778 /nfs/dbraw/zinc/58/57/78/426585778.db2.gz NEAJJLHAEGVFIV-LJQANCHMSA-N 2 1 320.477 2.623 20 0 DFADMP COC(=O)c1oc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1C ZINC000178304664 426601494 /nfs/dbraw/zinc/60/14/94/426601494.db2.gz NYPHDQGHDDEKPG-CQSZACIVSA-N 2 1 317.389 2.544 20 0 DFADMP COC(=O)c1oc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1C ZINC000178304664 426601497 /nfs/dbraw/zinc/60/14/97/426601497.db2.gz NYPHDQGHDDEKPG-CQSZACIVSA-N 2 1 317.389 2.544 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)oc1C ZINC000178320544 426606787 /nfs/dbraw/zinc/60/67/87/426606787.db2.gz FVKYVMGMUWWEPU-AWEZNQCLSA-N 2 1 317.389 2.544 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)oc1C ZINC000178320544 426606805 /nfs/dbraw/zinc/60/68/05/426606805.db2.gz FVKYVMGMUWWEPU-AWEZNQCLSA-N 2 1 317.389 2.544 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4OCCC[C@H]34)CC2)cc1 ZINC000186996170 426617341 /nfs/dbraw/zinc/61/73/41/426617341.db2.gz FRBVEIGJGUBCGX-VAMGGRTRSA-N 2 1 314.473 2.851 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccncc2C)CC1 ZINC000289357015 426636559 /nfs/dbraw/zinc/63/65/59/426636559.db2.gz IEVAIAKSMNFNRN-UHFFFAOYSA-N 2 1 314.433 2.828 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000178741396 426686466 /nfs/dbraw/zinc/68/64/66/426686466.db2.gz NTVQOUAGZQGSPI-YTQUADARSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000178741396 426686471 /nfs/dbraw/zinc/68/64/71/426686471.db2.gz NTVQOUAGZQGSPI-YTQUADARSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000178741396 426686476 /nfs/dbraw/zinc/68/64/76/426686476.db2.gz NTVQOUAGZQGSPI-YTQUADARSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@H+](C/C=C/c1ccc(F)c(F)c1)CCCN1CC[NH+](C)CC1 ZINC000289434993 426657285 /nfs/dbraw/zinc/65/72/85/426657285.db2.gz LHEHUFZBYQBDED-HWKANZROSA-N 2 1 323.431 2.547 20 0 DFADMP Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1Cl ZINC000289444593 426658998 /nfs/dbraw/zinc/65/89/98/426658998.db2.gz MIRCWFUFUNXHSS-UHFFFAOYSA-N 2 1 309.885 2.718 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236966904 426686974 /nfs/dbraw/zinc/68/69/74/426686974.db2.gz RTAWEYJQIXRRMW-MAUKXSAKSA-N 2 1 317.477 2.805 20 0 DFADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000289474656 426666060 /nfs/dbraw/zinc/66/60/60/426666060.db2.gz BEQRPMLHLARHRN-ZWKOTPCHSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[C@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236662077 426670572 /nfs/dbraw/zinc/67/05/72/426670572.db2.gz VEVRWDDQFHGRCA-ROUUACIJSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3CC[NH2+]CC3)c2C1 ZINC000236720465 426679894 /nfs/dbraw/zinc/67/98/94/426679894.db2.gz XHMSYIJSPFIMLV-UHFFFAOYSA-N 2 1 315.461 2.986 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000280902585 426682314 /nfs/dbraw/zinc/68/23/14/426682314.db2.gz FWLCDINNGMFXRQ-UYAOXDASSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CC=CCC1 ZINC000280902585 426682318 /nfs/dbraw/zinc/68/23/18/426682318.db2.gz FWLCDINNGMFXRQ-UYAOXDASSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000178741369 426685943 /nfs/dbraw/zinc/68/59/43/426685943.db2.gz NTVQOUAGZQGSPI-BHIYHBOVSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000178741369 426685945 /nfs/dbraw/zinc/68/59/45/426685945.db2.gz NTVQOUAGZQGSPI-BHIYHBOVSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000178741369 426685951 /nfs/dbraw/zinc/68/59/51/426685951.db2.gz NTVQOUAGZQGSPI-BHIYHBOVSA-N 2 1 313.489 2.866 20 0 DFADMP CC[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)OC ZINC000290108401 426696116 /nfs/dbraw/zinc/69/61/16/426696116.db2.gz ILJMNLRDHJACSB-SFHVURJKSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000188616854 426768272 /nfs/dbraw/zinc/76/82/72/426768272.db2.gz OOJJULGTVKSZSY-MRLBHPIUSA-N 2 1 322.415 2.788 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000266752375 426772931 /nfs/dbraw/zinc/77/29/31/426772931.db2.gz QJXNGHPBYRUFMB-MRXNPFEDSA-N 2 1 314.477 2.922 20 0 DFADMP Cn1c2ccccc2nc1CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000266752375 426772936 /nfs/dbraw/zinc/77/29/36/426772936.db2.gz QJXNGHPBYRUFMB-MRXNPFEDSA-N 2 1 314.477 2.922 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000266752375 426772937 /nfs/dbraw/zinc/77/29/37/426772937.db2.gz QJXNGHPBYRUFMB-MRXNPFEDSA-N 2 1 314.477 2.922 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000266752375 426772944 /nfs/dbraw/zinc/77/29/44/426772944.db2.gz QJXNGHPBYRUFMB-MRXNPFEDSA-N 2 1 314.477 2.922 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000245854427 426776030 /nfs/dbraw/zinc/77/60/30/426776030.db2.gz JTFUWGZYRICGLO-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+](CCOC(C)C)CC2)cc(C)c1O ZINC000290524870 426783110 /nfs/dbraw/zinc/78/31/10/426783110.db2.gz XVGQOYCJQFKXJB-UHFFFAOYSA-N 2 1 320.477 2.988 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000245952534 426786806 /nfs/dbraw/zinc/78/68/06/426786806.db2.gz PRLRLUXOSZMLPW-JZFYCYHFSA-N 2 1 302.462 2.910 20 0 DFADMP c1cc2c(c([C@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)c1)OCCO2 ZINC000178971634 426727415 /nfs/dbraw/zinc/72/74/15/426727415.db2.gz HIAPTLLWZGAIOP-MRXNPFEDSA-N 2 1 302.418 2.594 20 0 DFADMP CC[N@@H+](CC1CC[NH2+]CC1)CC1CCN(c2ccccn2)CC1 ZINC000178981644 426729758 /nfs/dbraw/zinc/72/97/58/426729758.db2.gz VIHUGHDURADKEN-UHFFFAOYSA-N 3 1 316.493 2.620 20 0 DFADMP C[C@@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245204086 426731423 /nfs/dbraw/zinc/73/14/23/426731423.db2.gz YODAJMXZMTXYQS-UIBIWLFHSA-N 2 1 317.477 2.667 20 0 DFADMP COc1c(O)cccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290297704 426734599 /nfs/dbraw/zinc/73/45/99/426734599.db2.gz AXXDVNWLTJBGFK-HNNXBMFYSA-N 2 1 304.434 2.565 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)CCC(=O)N2C ZINC000290301388 426735874 /nfs/dbraw/zinc/73/58/74/426735874.db2.gz BHPXETSZNCDYOZ-UHFFFAOYSA-N 2 1 317.477 2.759 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2OC)[C@@H](C)C1 ZINC000245423359 426737422 /nfs/dbraw/zinc/73/74/22/426737422.db2.gz JJFLKQGPKYZPDT-JKSUJKDBSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2OC)[C@@H](C)C1 ZINC000245423359 426737424 /nfs/dbraw/zinc/73/74/24/426737424.db2.gz JJFLKQGPKYZPDT-JKSUJKDBSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2OC)[C@@H](C)C1 ZINC000245423359 426737427 /nfs/dbraw/zinc/73/74/27/426737427.db2.gz JJFLKQGPKYZPDT-JKSUJKDBSA-N 2 1 306.450 2.736 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)[C@@H](C)CC(C)C)[C@@H](C)C1 ZINC000245436161 426739023 /nfs/dbraw/zinc/73/90/23/426739023.db2.gz QTZHSXOIGQQNNQ-ULQDDVLXSA-N 2 1 311.514 2.542 20 0 DFADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1COC2(CCCCCC2)O1 ZINC000245556311 426751055 /nfs/dbraw/zinc/75/10/55/426751055.db2.gz DFOVEILDPBBDKX-IKGGRYGDSA-N 2 1 308.466 2.669 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1COC2(CCCCCC2)O1 ZINC000245563465 426752731 /nfs/dbraw/zinc/75/27/31/426752731.db2.gz NAYABOAAYANNEZ-NCOADZHNSA-N 2 1 310.482 2.771 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C)CCO2 ZINC000274390857 426759617 /nfs/dbraw/zinc/75/96/17/426759617.db2.gz OKPDPJKLDZWTNO-OSRSDYAFSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)CCO2 ZINC000274390857 426759620 /nfs/dbraw/zinc/75/96/20/426759620.db2.gz OKPDPJKLDZWTNO-OSRSDYAFSA-N 2 1 304.434 2.837 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnn3ccccc23)CC1 ZINC000179528768 426799582 /nfs/dbraw/zinc/79/95/82/426799582.db2.gz FKCPOUQNUPNLKJ-UHFFFAOYSA-N 2 1 309.417 2.523 20 0 DFADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)cn1 ZINC000189043470 426813989 /nfs/dbraw/zinc/81/39/89/426813989.db2.gz QIKIIHQTGZOZOF-GOSISDBHSA-N 2 1 313.420 2.875 20 0 DFADMP Fc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cn1 ZINC000189043470 426813993 /nfs/dbraw/zinc/81/39/93/426813993.db2.gz QIKIIHQTGZOZOF-GOSISDBHSA-N 2 1 313.420 2.875 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000274682594 426816641 /nfs/dbraw/zinc/81/66/41/426816641.db2.gz JXHYBTWDPFPAEZ-AWEZNQCLSA-N 2 1 323.456 2.540 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000246358838 426822601 /nfs/dbraw/zinc/82/26/01/426822601.db2.gz IHGZHAGVMNETSQ-YJBOKZPZSA-N 2 1 320.477 2.956 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2nc3ccccc3n2C)C1 ZINC000267112698 426824841 /nfs/dbraw/zinc/82/48/41/426824841.db2.gz XWIVJQIBCYJMQU-MRXNPFEDSA-N 2 1 314.477 2.780 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2nc3ccccc3n2C)C1 ZINC000267112698 426824845 /nfs/dbraw/zinc/82/48/45/426824845.db2.gz XWIVJQIBCYJMQU-MRXNPFEDSA-N 2 1 314.477 2.780 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000267112698 426824848 /nfs/dbraw/zinc/82/48/48/426824848.db2.gz XWIVJQIBCYJMQU-MRXNPFEDSA-N 2 1 314.477 2.780 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274750867 426830545 /nfs/dbraw/zinc/83/05/45/426830545.db2.gz HKHWQZYUMGCHFP-PXNSSMCTSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@H]([NH2+]CC1=CC[NH+](C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274750867 426830551 /nfs/dbraw/zinc/83/05/51/426830551.db2.gz HKHWQZYUMGCHFP-PXNSSMCTSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H]([NH2+]CC1=CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274750867 426830556 /nfs/dbraw/zinc/83/05/56/426830556.db2.gz HKHWQZYUMGCHFP-PXNSSMCTSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH2+]C2)cc1 ZINC000246501913 426837899 /nfs/dbraw/zinc/83/78/99/426837899.db2.gz QAYNOXULCGSAAW-ZBFHGGJFSA-N 2 1 301.434 2.609 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(Cl)c(C)c3)C2)CC1 ZINC000180430103 426858086 /nfs/dbraw/zinc/85/80/86/426858086.db2.gz JWDWGQQEYJTBLB-KRWDZBQOSA-N 2 1 321.896 2.860 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000246543906 426842873 /nfs/dbraw/zinc/84/28/73/426842873.db2.gz YDZVERHYMSJHFF-LZLYRXPVSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](CCC[NH2+]Cc1c[nH]c2nccnc12)Cc1ccccc1 ZINC000290825304 426848232 /nfs/dbraw/zinc/84/82/32/426848232.db2.gz HJHWFCQSFKXSGZ-UHFFFAOYSA-N 2 1 309.417 2.570 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(-n2ccnc2)cc1 ZINC000290837587 426851291 /nfs/dbraw/zinc/85/12/91/426851291.db2.gz HAELGQYNUREIDA-HNNXBMFYSA-N 2 1 314.433 2.723 20 0 DFADMP Cc1cc([C@H](C)NCCC[N@H+]2CCc3ccccc3C2)nn1C ZINC000282210287 426853201 /nfs/dbraw/zinc/85/32/01/426853201.db2.gz OKGMTBZGNXAEHV-INIZCTEOSA-N 2 1 312.461 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[C@@H]1CCC[NH+]1C ZINC000274872215 426855940 /nfs/dbraw/zinc/85/59/40/426855940.db2.gz XOURHFOZQOASSY-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000274872215 426855942 /nfs/dbraw/zinc/85/59/42/426855942.db2.gz XOURHFOZQOASSY-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000274872215 426855944 /nfs/dbraw/zinc/85/59/44/426855944.db2.gz XOURHFOZQOASSY-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP O[C@H](C[NH+]1CCC[C@H]2CCC[C@H]21)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016535 426790632 /nfs/dbraw/zinc/79/06/32/426790632.db2.gz UKVPWJUNWRTQRK-BSHDOZJQSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000246016535 426790639 /nfs/dbraw/zinc/79/06/39/426790639.db2.gz UKVPWJUNWRTQRK-BSHDOZJQSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@@H]2CCC[C@@H]21)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000246016535 426790641 /nfs/dbraw/zinc/79/06/41/426790641.db2.gz UKVPWJUNWRTQRK-BSHDOZJQSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478779 426792896 /nfs/dbraw/zinc/79/28/96/426792896.db2.gz ODYGXZAEVYLAML-YCPHGPKFSA-N 2 1 314.433 2.912 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCOCC1 ZINC000290559578 426793070 /nfs/dbraw/zinc/79/30/70/426793070.db2.gz SHULLNSFVDCNGL-UHFFFAOYSA-N 2 1 319.493 2.687 20 0 DFADMP CC[C@](C)(O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310024968 426919088 /nfs/dbraw/zinc/91/90/88/426919088.db2.gz UFRHMTBWXGVTOG-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310024968 426919093 /nfs/dbraw/zinc/91/90/93/426919093.db2.gz UFRHMTBWXGVTOG-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310024968 426919099 /nfs/dbraw/zinc/91/90/99/426919099.db2.gz UFRHMTBWXGVTOG-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@](C)(O)C[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000275806850 426920852 /nfs/dbraw/zinc/92/08/52/426920852.db2.gz FOHJNABVIJZAAV-SFHVURJKSA-N 2 1 301.434 2.855 20 0 DFADMP CC[C@](C)(O)C[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000275806850 426920857 /nfs/dbraw/zinc/92/08/57/426920857.db2.gz FOHJNABVIJZAAV-SFHVURJKSA-N 2 1 301.434 2.855 20 0 DFADMP CN1CCC([N@@H+](CCO)[C@@H]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000189502514 426870174 /nfs/dbraw/zinc/87/01/74/426870174.db2.gz HHAJNPGACOIQND-UXHICEINSA-N 2 1 316.489 2.885 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000282282858 426870569 /nfs/dbraw/zinc/87/05/69/426870569.db2.gz RSRATOLPYKHVIZ-IRXDYDNUSA-N 2 1 314.433 2.871 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)ccc1F ZINC000282333742 426885110 /nfs/dbraw/zinc/88/51/10/426885110.db2.gz OHQUFAJLPPSBSW-CYBMUJFWSA-N 2 1 311.420 2.641 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282345321 426887150 /nfs/dbraw/zinc/88/71/50/426887150.db2.gz PAFAQLGWXYHTAN-LJQANCHMSA-N 2 1 317.521 2.932 20 0 DFADMP C[C@@]1(CO)CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305147752 426887528 /nfs/dbraw/zinc/88/75/28/426887528.db2.gz NWVWIZIOBFVAOE-PMACEKPBSA-N 2 1 316.489 2.834 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000247000332 426888555 /nfs/dbraw/zinc/88/85/55/426888555.db2.gz KRDWPMVUCBTEFO-CABCVRRESA-N 2 1 317.433 2.636 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCN(CC(F)(F)F)CC2)CCCCC1 ZINC000337642560 426896174 /nfs/dbraw/zinc/89/61/74/426896174.db2.gz ZEGURYXGROHQOC-UHFFFAOYSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@@H](c1cccnc1)N1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000268071359 426906764 /nfs/dbraw/zinc/90/67/64/426906764.db2.gz CKZXMHDDMYXICD-HKUYNNGSSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H](c1cccnc1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000268071359 426906765 /nfs/dbraw/zinc/90/67/65/426906765.db2.gz CKZXMHDDMYXICD-HKUYNNGSSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H](c1cccnc1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000268071359 426906772 /nfs/dbraw/zinc/90/67/72/426906772.db2.gz CKZXMHDDMYXICD-HKUYNNGSSA-N 2 1 316.493 2.635 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247556304 426949973 /nfs/dbraw/zinc/94/99/73/426949973.db2.gz QIYWIVNNSUCZMI-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247556304 426949977 /nfs/dbraw/zinc/94/99/77/426949977.db2.gz QIYWIVNNSUCZMI-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000247556304 426949983 /nfs/dbraw/zinc/94/99/83/426949983.db2.gz QIYWIVNNSUCZMI-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000247556304 426949990 /nfs/dbraw/zinc/94/99/90/426949990.db2.gz QIYWIVNNSUCZMI-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)CC[N@@H+]1C ZINC000181539955 426961620 /nfs/dbraw/zinc/96/16/20/426961620.db2.gz NUPQDMXHMDZHRN-VXGBXAGGSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)CC[N@H+]1C ZINC000181539955 426961631 /nfs/dbraw/zinc/96/16/31/426961631.db2.gz NUPQDMXHMDZHRN-VXGBXAGGSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC[N@H+]1C ZINC000181555538 426963602 /nfs/dbraw/zinc/96/36/02/426963602.db2.gz AFKIHRLDPSCWNF-NJAFHUGGSA-N 2 1 304.478 2.861 20 0 DFADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC)cc1 ZINC000247932071 426967316 /nfs/dbraw/zinc/96/73/16/426967316.db2.gz CCLLFEFSDDULEJ-HKUYNNGSSA-N 2 1 320.477 2.973 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccc(Cl)cc3)CC[C@H]21 ZINC000247971073 426971642 /nfs/dbraw/zinc/97/16/42/426971642.db2.gz JKORVIJPGZBFLN-DJIMGWMZSA-N 2 1 308.853 2.790 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000248901364 427061839 /nfs/dbraw/zinc/06/18/39/427061839.db2.gz XAMPAJWHTRDVGC-ZBFHGGJFSA-N 2 1 308.441 2.896 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000182159617 427019662 /nfs/dbraw/zinc/01/96/62/427019662.db2.gz WNPDFAMKCRACET-VGOVLVCLSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000182159617 427019665 /nfs/dbraw/zinc/01/96/65/427019665.db2.gz WNPDFAMKCRACET-VGOVLVCLSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000248654753 427029483 /nfs/dbraw/zinc/02/94/83/427029483.db2.gz VLJAMUWNCALMPD-CVEARBPZSA-N 2 1 309.498 2.522 20 0 DFADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)C[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000248661480 427030440 /nfs/dbraw/zinc/03/04/40/427030440.db2.gz FOCMSYFSWDEGML-ZIAGYGMSSA-N 2 1 317.408 2.574 20 0 DFADMP CC[C@H]1CN(c2cc[nH+]c3ccc(C)cc32)CC[N@H+]1C[C@H](C)O ZINC000248708250 427035071 /nfs/dbraw/zinc/03/50/71/427035071.db2.gz BCQILKNKXMDCTI-HOTGVXAUSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1(C)CC1 ZINC000182239227 427035945 /nfs/dbraw/zinc/03/59/45/427035945.db2.gz TUMPCOGKVYRKCF-CRAIPNDOSA-N 2 1 302.462 2.922 20 0 DFADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000296037616 427054568 /nfs/dbraw/zinc/05/45/68/427054568.db2.gz PMTMXEIJCPBUOD-OAHLLOKOSA-N 2 1 309.404 2.881 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000296037616 427054578 /nfs/dbraw/zinc/05/45/78/427054578.db2.gz PMTMXEIJCPBUOD-OAHLLOKOSA-N 2 1 309.404 2.881 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000296037616 427054586 /nfs/dbraw/zinc/05/45/86/427054586.db2.gz PMTMXEIJCPBUOD-OAHLLOKOSA-N 2 1 309.404 2.881 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000296037616 427054591 /nfs/dbraw/zinc/05/45/91/427054591.db2.gz PMTMXEIJCPBUOD-OAHLLOKOSA-N 2 1 309.404 2.881 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000296037616 427054598 /nfs/dbraw/zinc/05/45/98/427054598.db2.gz PMTMXEIJCPBUOD-OAHLLOKOSA-N 2 1 309.404 2.881 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248993881 427074194 /nfs/dbraw/zinc/07/41/94/427074194.db2.gz OICBIZRBJWTKMW-AKHDSKFASA-N 2 1 302.462 2.789 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])c1 ZINC000249094781 427086329 /nfs/dbraw/zinc/08/63/29/427086329.db2.gz TXVWVDRALUEXFB-HOTGVXAUSA-N 2 1 319.493 2.908 20 0 DFADMP C[C@@H]([NH3+])[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000249137509 427092790 /nfs/dbraw/zinc/09/27/90/427092790.db2.gz YYEWCFHKQHCRAP-BZUAXINKSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)C1 ZINC000268701081 427092879 /nfs/dbraw/zinc/09/28/79/427092879.db2.gz FPJVMZIHNPHZHE-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268701081 427092885 /nfs/dbraw/zinc/09/28/85/427092885.db2.gz FPJVMZIHNPHZHE-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268701081 427092888 /nfs/dbraw/zinc/09/28/88/427092888.db2.gz FPJVMZIHNPHZHE-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP COC[C@@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000249206359 427099282 /nfs/dbraw/zinc/09/92/82/427099282.db2.gz VYUOEOFGDPPIPU-FUHWJXTLSA-N 2 1 312.498 2.672 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@@H]3CCCC[C@H]32)CC1 ZINC000249297987 427103170 /nfs/dbraw/zinc/10/31/70/427103170.db2.gz RMSOVXWODOKRKQ-CEXWTWQISA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000268730471 427105217 /nfs/dbraw/zinc/10/52/17/427105217.db2.gz SRUUXIVRVYZBDP-ZTRSQXPZSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000268730471 427105220 /nfs/dbraw/zinc/10/52/20/427105220.db2.gz SRUUXIVRVYZBDP-ZTRSQXPZSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000268777555 427111214 /nfs/dbraw/zinc/11/12/14/427111214.db2.gz BYGRZCJMBMXWLA-CYBMUJFWSA-N 2 1 318.396 2.728 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCc3cscn3)C2)[nH+]1 ZINC000283981419 427111537 /nfs/dbraw/zinc/11/15/37/427111537.db2.gz MJEVBZYXSGQNNG-AWEZNQCLSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCc3cscn3)C2)[nH+]1 ZINC000283981419 427111546 /nfs/dbraw/zinc/11/15/46/427111546.db2.gz MJEVBZYXSGQNNG-AWEZNQCLSA-N 2 1 302.447 2.823 20 0 DFADMP C[C@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338046935 427112260 /nfs/dbraw/zinc/11/22/60/427112260.db2.gz MTRHFACYQPKOSO-IXDOHACOSA-N 2 1 323.525 2.828 20 0 DFADMP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268820664 427129725 /nfs/dbraw/zinc/12/97/25/427129725.db2.gz HJZFTURIMKKUFO-LJQANCHMSA-N 2 1 322.468 2.829 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)[C@H](C)C1 ZINC000249711710 427138407 /nfs/dbraw/zinc/13/84/07/427138407.db2.gz YORGDJFQHGSRJE-JYBIWHBTSA-N 2 1 318.505 2.936 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)[C@@H](C)C1 ZINC000268902951 427139054 /nfs/dbraw/zinc/13/90/54/427139054.db2.gz DEXZCPWOITWQBE-NFYPIIHDSA-N 2 1 308.491 2.805 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284233102 427161076 /nfs/dbraw/zinc/16/10/76/427161076.db2.gz DOVHZYPNWCZMBM-MRXNPFEDSA-N 2 1 313.449 2.944 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284233102 427161082 /nfs/dbraw/zinc/16/10/82/427161082.db2.gz DOVHZYPNWCZMBM-MRXNPFEDSA-N 2 1 313.449 2.944 20 0 DFADMP C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000182812439 427149129 /nfs/dbraw/zinc/14/91/29/427149129.db2.gz FSSIMIGJXHNJRY-QKKBWIMNSA-N 2 1 305.447 2.704 20 0 DFADMP COC[C@@H](C)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000249845587 427150623 /nfs/dbraw/zinc/15/06/23/427150623.db2.gz OKMJRCOERNSHIJ-YESZJQIVSA-N 2 1 320.477 2.668 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)O1 ZINC000190648663 427152300 /nfs/dbraw/zinc/15/23/00/427152300.db2.gz VHZDSQLIXNTJQK-APWZRJJASA-N 2 1 317.477 2.588 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000269296412 427162635 /nfs/dbraw/zinc/16/26/35/427162635.db2.gz WBVRIMHTEXSSFX-QZTJIDSGSA-N 2 1 317.477 2.776 20 0 DFADMP CC(C)[NH+](CCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000174097672 271127315 /nfs/dbraw/zinc/12/73/15/271127315.db2.gz CUXOCBVJEXLEFE-BBWFWOEESA-N 2 1 311.514 2.873 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C(C)(C)n2cncn2)c1 ZINC000284252825 427166775 /nfs/dbraw/zinc/16/67/75/427166775.db2.gz VTSVDFPIYZVNKD-OAHLLOKOSA-N 2 1 315.465 2.643 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000178323539 271193365 /nfs/dbraw/zinc/19/33/65/271193365.db2.gz VTUXDOXDZAKGCJ-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000178323539 271193370 /nfs/dbraw/zinc/19/33/70/271193370.db2.gz VTUXDOXDZAKGCJ-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000227403589 271236019 /nfs/dbraw/zinc/23/60/19/271236019.db2.gz PVFOVDNZHLCHGH-HNNXBMFYSA-N 2 1 313.486 2.755 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000237518891 271249406 /nfs/dbraw/zinc/24/94/06/271249406.db2.gz DKZYHZVTMVQUDT-AWEZNQCLSA-N 2 1 303.450 2.984 20 0 DFADMP C[C@@H](CCSc1ccccc1)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000269319919 427167637 /nfs/dbraw/zinc/16/76/37/427167637.db2.gz LZIXVWVFOFNKFB-INIZCTEOSA-N 2 1 322.518 2.946 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1 ZINC000303313423 271365468 /nfs/dbraw/zinc/36/54/68/271365468.db2.gz PNTHVLJPSJPGHG-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP [NH3+]C1(c2noc([C@@H]3CCC[N@H+]3C3CCOCC3)n2)CCCCC1 ZINC000333642674 271383172 /nfs/dbraw/zinc/38/31/72/271383172.db2.gz XOZAPGCWBNQAOA-AWEZNQCLSA-N 2 1 320.437 2.504 20 0 DFADMP O=C1[C@@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCN1c1ccccc1 ZINC000329814248 427172984 /nfs/dbraw/zinc/17/29/84/427172984.db2.gz DAEATXNWABYBAV-KRWDZBQOSA-N 2 1 324.428 2.785 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000284288266 427174075 /nfs/dbraw/zinc/17/40/75/427174075.db2.gz KEJWABMJDHBQJH-KURKYZTESA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000284288266 427174079 /nfs/dbraw/zinc/17/40/79/427174079.db2.gz KEJWABMJDHBQJH-KURKYZTESA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cn1 ZINC000190793995 427180483 /nfs/dbraw/zinc/18/04/83/427180483.db2.gz VQTNSXVWZNZPII-INIZCTEOSA-N 2 1 304.482 2.748 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000284317296 427181145 /nfs/dbraw/zinc/18/11/45/427181145.db2.gz JVRVJDNIBMEZLW-AEFFLSMTSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000284317296 427181150 /nfs/dbraw/zinc/18/11/50/427181150.db2.gz JVRVJDNIBMEZLW-AEFFLSMTSA-N 2 1 302.462 2.934 20 0 DFADMP C[NH+](C)CC(C)(C)C[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338194327 427182874 /nfs/dbraw/zinc/18/28/74/427182874.db2.gz WGDUAWWYXRBFSG-SFHVURJKSA-N 2 1 312.461 2.938 20 0 DFADMP C[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000285388700 427219364 /nfs/dbraw/zinc/21/93/64/427219364.db2.gz DJWABRPOYWMPAQ-AEFFLSMTSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000338201056 427189033 /nfs/dbraw/zinc/18/90/33/427189033.db2.gz YFASCWTWAFDBIR-WMZOPIPTSA-N 2 1 312.461 2.810 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000190853598 427189875 /nfs/dbraw/zinc/18/98/75/427189875.db2.gz NXXLKMJGCJRXIV-KRWDZBQOSA-N 2 1 304.482 2.748 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000190853598 427189878 /nfs/dbraw/zinc/18/98/78/427189878.db2.gz NXXLKMJGCJRXIV-KRWDZBQOSA-N 2 1 304.482 2.748 20 0 DFADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000292767223 427199850 /nfs/dbraw/zinc/19/98/50/427199850.db2.gz JIYOLOLUJZRZOI-PKOBYXMFSA-N 2 1 320.452 2.537 20 0 DFADMP C[N@@H+]1CCO[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]21 ZINC000284855749 427200369 /nfs/dbraw/zinc/20/03/69/427200369.db2.gz DYILBSFMQRTSKK-IAGOWNOFSA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CCO[C@@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@H]21 ZINC000284855749 427200373 /nfs/dbraw/zinc/20/03/73/427200373.db2.gz DYILBSFMQRTSKK-IAGOWNOFSA-N 2 1 317.820 2.798 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C=C[C@H](CO)C2)CC1 ZINC000285176080 427208467 /nfs/dbraw/zinc/20/84/67/427208467.db2.gz NCCMLPAYPXOARK-LHQJTOJGSA-N 2 1 314.473 2.956 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183174594 427215539 /nfs/dbraw/zinc/21/55/39/427215539.db2.gz YWORHWFGJMLSMF-KFWWJZLASA-N 2 1 313.486 2.610 20 0 DFADMP Nc1cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415547 427227801 /nfs/dbraw/zinc/22/78/01/427227801.db2.gz DHJLDHSCXPDSIY-HXUWFJFHSA-N 2 1 322.456 2.762 20 0 DFADMP Nc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415547 427227809 /nfs/dbraw/zinc/22/78/09/427227809.db2.gz DHJLDHSCXPDSIY-HXUWFJFHSA-N 2 1 322.456 2.762 20 0 DFADMP Nc1cc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415547 427227812 /nfs/dbraw/zinc/22/78/12/427227812.db2.gz DHJLDHSCXPDSIY-HXUWFJFHSA-N 2 1 322.456 2.762 20 0 DFADMP Nc1cc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415547 427227817 /nfs/dbraw/zinc/22/78/17/427227817.db2.gz DHJLDHSCXPDSIY-HXUWFJFHSA-N 2 1 322.456 2.762 20 0 DFADMP Nc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)ccn1 ZINC000285415547 427227823 /nfs/dbraw/zinc/22/78/23/427227823.db2.gz DHJLDHSCXPDSIY-HXUWFJFHSA-N 2 1 322.456 2.762 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@H]2C)cc1 ZINC000277517510 427227845 /nfs/dbraw/zinc/22/78/45/427227845.db2.gz RZJWGFYHRQZCBF-MAUKXSAKSA-N 2 1 317.477 2.789 20 0 DFADMP Cc1ccncc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000269602683 427230396 /nfs/dbraw/zinc/23/03/96/427230396.db2.gz WLCSJDZLZVTROQ-CALCHBBNSA-N 2 1 317.477 2.711 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSC(C)C)[C@H](C)C1 ZINC000338287226 427235209 /nfs/dbraw/zinc/23/52/09/427235209.db2.gz HLOUWIYDPPZCRY-CVEARBPZSA-N 2 1 302.528 2.855 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CC[C@H](C)O2)CC1 ZINC000191028986 427236603 /nfs/dbraw/zinc/23/66/03/427236603.db2.gz OBFSGRNSAAKTIS-FUHWJXTLSA-N 2 1 312.498 2.624 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(c2nnc3n2CCCC3)CC1 ZINC000338292080 427238527 /nfs/dbraw/zinc/23/85/27/427238527.db2.gz XLQUFVFHJXFMTI-UHFFFAOYSA-N 2 1 319.497 2.526 20 0 DFADMP FC(F)COCCN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285478107 427243365 /nfs/dbraw/zinc/24/33/65/427243365.db2.gz HXMZTIVMVGSJLM-SFHVURJKSA-N 2 1 324.415 2.866 20 0 DFADMP FC(F)COCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285478107 427243373 /nfs/dbraw/zinc/24/33/73/427243373.db2.gz HXMZTIVMVGSJLM-SFHVURJKSA-N 2 1 324.415 2.866 20 0 DFADMP FC(F)COCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285478107 427243377 /nfs/dbraw/zinc/24/33/77/427243377.db2.gz HXMZTIVMVGSJLM-SFHVURJKSA-N 2 1 324.415 2.866 20 0 DFADMP FC(F)COCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285478107 427243381 /nfs/dbraw/zinc/24/33/81/427243381.db2.gz HXMZTIVMVGSJLM-SFHVURJKSA-N 2 1 324.415 2.866 20 0 DFADMP FC(F)COCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285478107 427243388 /nfs/dbraw/zinc/24/33/88/427243388.db2.gz HXMZTIVMVGSJLM-SFHVURJKSA-N 2 1 324.415 2.866 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000285472588 427243567 /nfs/dbraw/zinc/24/35/67/427243567.db2.gz AYOSKLZDISIWEL-VXGBXAGGSA-N 2 1 308.447 2.670 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000285472588 427243572 /nfs/dbraw/zinc/24/35/72/427243572.db2.gz AYOSKLZDISIWEL-VXGBXAGGSA-N 2 1 308.447 2.670 20 0 DFADMP C(CO[C@@H]1CCCCO1)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000338314198 427255037 /nfs/dbraw/zinc/25/50/37/427255037.db2.gz IKUZNTIVMNGUTF-ZWKOTPCHSA-N 2 1 310.482 2.728 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000277597402 427255655 /nfs/dbraw/zinc/25/56/55/427255655.db2.gz POMGZDYFDWBSIM-QAPCUYQASA-N 2 1 317.477 2.646 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191169883 427274959 /nfs/dbraw/zinc/27/49/59/427274959.db2.gz NOSMJSTUSDMHAL-CQSZACIVSA-N 2 1 310.486 2.565 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cnn(C(C)(C)C)c1C ZINC000191169883 427274967 /nfs/dbraw/zinc/27/49/67/427274967.db2.gz NOSMJSTUSDMHAL-CQSZACIVSA-N 2 1 310.486 2.565 20 0 DFADMP C[C@@H](C1CCCCC1)[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000338357190 427275684 /nfs/dbraw/zinc/27/56/84/427275684.db2.gz NREIUZZHWFBWEZ-HNNXBMFYSA-N 2 1 321.509 2.630 20 0 DFADMP COC(=O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183678091 427314926 /nfs/dbraw/zinc/31/49/26/427314926.db2.gz NFTMEKXAQVRQJS-ZDUSSCGKSA-N 2 1 301.390 2.785 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000270351390 427328806 /nfs/dbraw/zinc/32/88/06/427328806.db2.gz WIVBKHFFTSAEEC-BEFAXECRSA-N 2 1 315.461 2.847 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000270351390 427328810 /nfs/dbraw/zinc/32/88/10/427328810.db2.gz WIVBKHFFTSAEEC-BEFAXECRSA-N 2 1 315.461 2.847 20 0 DFADMP CC[C@H]1CN(CCCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000183753356 427333292 /nfs/dbraw/zinc/33/32/92/427333292.db2.gz NYRYTNATYLBPKT-IBGZPJMESA-N 2 1 312.461 2.870 20 0 DFADMP CC[C@H]1CN(CCCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000183753356 427333301 /nfs/dbraw/zinc/33/33/01/427333301.db2.gz NYRYTNATYLBPKT-IBGZPJMESA-N 2 1 312.461 2.870 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1-n1ccnn1 ZINC000285778163 427334864 /nfs/dbraw/zinc/33/48/64/427334864.db2.gz UAEUCZCGWPNYAN-ZVZYQTTQSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1-n1ccnn1 ZINC000285778163 427334870 /nfs/dbraw/zinc/33/48/70/427334870.db2.gz UAEUCZCGWPNYAN-ZVZYQTTQSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000293351969 427293816 /nfs/dbraw/zinc/29/38/16/427293816.db2.gz HACBNOZELXMTAF-ZIFCJYIRSA-N 2 1 303.494 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000293351969 427293825 /nfs/dbraw/zinc/29/38/25/427293825.db2.gz HACBNOZELXMTAF-ZIFCJYIRSA-N 3 1 303.494 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C[NH+](C)C ZINC000293351969 427293834 /nfs/dbraw/zinc/29/38/34/427293834.db2.gz HACBNOZELXMTAF-ZIFCJYIRSA-N 3 1 303.494 2.684 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000191520352 427370749 /nfs/dbraw/zinc/37/07/49/427370749.db2.gz AODDJABDIWZWGY-SFHVURJKSA-N 2 1 315.461 2.761 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000191520352 427370755 /nfs/dbraw/zinc/37/07/55/427370755.db2.gz AODDJABDIWZWGY-SFHVURJKSA-N 2 1 315.461 2.761 20 0 DFADMP CCc1oc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1C(=O)OC ZINC000338957060 271624803 /nfs/dbraw/zinc/62/48/03/271624803.db2.gz NCDOHVKSOKMNKE-UHFFFAOYSA-N 2 1 320.433 2.689 20 0 DFADMP CCc1oc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1C(=O)OC ZINC000338957060 271624805 /nfs/dbraw/zinc/62/48/05/271624805.db2.gz NCDOHVKSOKMNKE-UHFFFAOYSA-N 2 1 320.433 2.689 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000338549512 427374855 /nfs/dbraw/zinc/37/48/55/427374855.db2.gz RRQOQEFNCRZPPN-RBUKOAKNSA-N 2 1 320.477 2.807 20 0 DFADMP Cc1nccn1CCC[N@H+](C)Cc1cncc(Br)c1 ZINC000271026069 427374983 /nfs/dbraw/zinc/37/49/83/427374983.db2.gz PALUGPREXDKWNQ-UHFFFAOYSA-N 2 1 323.238 2.871 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncc(Br)c1 ZINC000271026069 427374996 /nfs/dbraw/zinc/37/49/96/427374996.db2.gz PALUGPREXDKWNQ-UHFFFAOYSA-N 2 1 323.238 2.871 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)c3cccnc3)C2)CC1 ZINC000297267714 427378631 /nfs/dbraw/zinc/37/86/31/427378631.db2.gz WNFRJILLOQVXMI-MJGOQNOKSA-N 2 1 317.477 2.559 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)c3cccnc3)C2)CC1 ZINC000297267714 427378635 /nfs/dbraw/zinc/37/86/35/427378635.db2.gz WNFRJILLOQVXMI-MJGOQNOKSA-N 2 1 317.477 2.559 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)cc1)C(C)C ZINC000262918385 427380102 /nfs/dbraw/zinc/38/01/02/427380102.db2.gz ZDPXCCJEOVJRGT-CRAIPNDOSA-N 2 1 317.477 2.645 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293626489 427385326 /nfs/dbraw/zinc/38/53/26/427385326.db2.gz GEKVDGLHCHSTAK-JMSVASOKSA-N 2 1 315.383 2.961 20 0 DFADMP CCn1nccc1CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338573266 427389583 /nfs/dbraw/zinc/38/95/83/427389583.db2.gz UFBILZKXCUUKSI-JKSUJKDBSA-N 2 1 304.482 2.688 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278041340 427390693 /nfs/dbraw/zinc/39/06/93/427390693.db2.gz CLQQYCICTZGXKY-OAHLLOKOSA-N 2 1 321.440 2.938 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278041340 427390696 /nfs/dbraw/zinc/39/06/96/427390696.db2.gz CLQQYCICTZGXKY-OAHLLOKOSA-N 2 1 321.440 2.938 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293635035 427391882 /nfs/dbraw/zinc/39/18/82/427391882.db2.gz GUTIYFXLAXKEBD-YRGRVCCFSA-N 2 1 315.383 2.961 20 0 DFADMP C[N@H+]1CCC[C@@]2(CCN(Cc3ccnn3-c3ccccc3)C2)C1 ZINC000293692121 427409119 /nfs/dbraw/zinc/40/91/19/427409119.db2.gz QSUBZJABFAAWKI-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP COc1ccc(F)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000293728263 427415740 /nfs/dbraw/zinc/41/57/40/427415740.db2.gz ZBGIVVNJDFQNSJ-GASCZTMLSA-N 2 1 324.440 2.813 20 0 DFADMP C[C@@H](C(=O)N1CC[N@H+](C)Cc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000262651683 427364691 /nfs/dbraw/zinc/36/46/91/427364691.db2.gz RKYLLRLHTNSYCY-BEFAXECRSA-N 2 1 323.440 2.801 20 0 DFADMP C[C@@H](C(=O)N1CC[N@@H+](C)Cc2ccccc21)[C@H]([NH3+])c1ccccc1 ZINC000262651683 427364699 /nfs/dbraw/zinc/36/46/99/427364699.db2.gz RKYLLRLHTNSYCY-BEFAXECRSA-N 2 1 323.440 2.801 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc([S@@](C)=O)cc1 ZINC000278797408 427456480 /nfs/dbraw/zinc/45/64/80/427456480.db2.gz QWCGQDYKNCMQRG-VRLALDKJSA-N 2 1 306.475 2.700 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cccc3F)CCCO1 ZINC000278809571 427460989 /nfs/dbraw/zinc/46/09/89/427460989.db2.gz ZOAAQJGAQZRFOS-KSSFIOAISA-N 2 1 306.425 2.904 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3F)CCCO1 ZINC000278809571 427460997 /nfs/dbraw/zinc/46/09/97/427460997.db2.gz ZOAAQJGAQZRFOS-KSSFIOAISA-N 2 1 306.425 2.904 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CSC2(C)C)[C@@H](C)C1 ZINC000338785130 427488254 /nfs/dbraw/zinc/48/82/54/427488254.db2.gz JMDLNFFNCCXSDA-SOUVJXGZSA-N 2 1 300.512 2.607 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000184465401 427467135 /nfs/dbraw/zinc/46/71/35/427467135.db2.gz HSHYUOHEACEXJJ-QXCZDIPSSA-N 2 1 314.473 2.646 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1NC(C)=O ZINC000293865572 427467388 /nfs/dbraw/zinc/46/73/88/427467388.db2.gz XZXDAODPSHNCNU-QWHCGFSZSA-N 2 1 307.438 2.502 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000293872102 427472197 /nfs/dbraw/zinc/47/21/97/427472197.db2.gz YGCPONLMJIQDKU-RSRPTUBKSA-N 2 1 300.446 2.664 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000293754004 427426765 /nfs/dbraw/zinc/42/67/65/427426765.db2.gz QPFYLSAVAXFFFF-IYWMVGAKSA-N 2 1 314.473 2.912 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805723 427442358 /nfs/dbraw/zinc/44/23/58/427442358.db2.gz VHXJBYPSSQKAJB-FRYIKTPZSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805723 427442365 /nfs/dbraw/zinc/44/23/65/427442365.db2.gz VHXJBYPSSQKAJB-FRYIKTPZSA-N 3 1 315.505 2.969 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000278686002 427445459 /nfs/dbraw/zinc/44/54/59/427445459.db2.gz RZTIVAKDRKXVDE-IBGZPJMESA-N 2 1 303.494 2.782 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000278686002 427445468 /nfs/dbraw/zinc/44/54/68/427445468.db2.gz RZTIVAKDRKXVDE-IBGZPJMESA-N 2 1 303.494 2.782 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000278686002 427445473 /nfs/dbraw/zinc/44/54/73/427445473.db2.gz RZTIVAKDRKXVDE-IBGZPJMESA-N 2 1 303.494 2.782 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnc(Br)c1 ZINC000293927612 427492868 /nfs/dbraw/zinc/49/28/68/427492868.db2.gz YNCUBVFGTWDCJI-UHFFFAOYSA-N 2 1 323.238 2.871 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnc(Br)c1 ZINC000293927612 427492875 /nfs/dbraw/zinc/49/28/75/427492875.db2.gz YNCUBVFGTWDCJI-UHFFFAOYSA-N 2 1 323.238 2.871 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc([S@](C)=O)cc1 ZINC000278939545 427506510 /nfs/dbraw/zinc/50/65/10/427506510.db2.gz KBDQBDSCJIOXAQ-OKHZJLECSA-N 2 1 317.458 2.534 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC[C@H]2C)cc1F ZINC000192504192 427554880 /nfs/dbraw/zinc/55/48/80/427554880.db2.gz RHQMBVOAYTWHCI-MLGOLLRUSA-N 2 1 303.381 2.834 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000278943262 427506859 /nfs/dbraw/zinc/50/68/59/427506859.db2.gz KMCQVHWSPMBZRL-STQMWFEESA-N 2 1 303.381 2.944 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc([S@@](C)=O)cc1 ZINC000278939541 427507344 /nfs/dbraw/zinc/50/73/44/427507344.db2.gz KBDQBDSCJIOXAQ-DJEJFTSGSA-N 2 1 317.458 2.534 20 0 DFADMP C[C@@H](CO)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271409783 427526480 /nfs/dbraw/zinc/52/64/80/427526480.db2.gz ALNSKBIXTIDLBI-QGZVFWFLSA-N 2 1 304.478 2.692 20 0 DFADMP O[C@H](CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000286433539 427528268 /nfs/dbraw/zinc/52/82/68/427528268.db2.gz NADPJOALKYYBRG-PKOBYXMFSA-N 2 1 302.462 2.918 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(NC(=O)OC)cc2)[C@H](C)C1 ZINC000271458444 427546542 /nfs/dbraw/zinc/54/65/42/427546542.db2.gz HIENDGYYRMKMBG-RHSMWYFYSA-N 2 1 319.449 2.727 20 0 DFADMP C[N@@H+](CCN1CCC[C@@H]1C[NH+]1CCCC1)Cc1ccccc1 ZINC000279080395 427553650 /nfs/dbraw/zinc/55/36/50/427553650.db2.gz ACGIGNADPKJFEN-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP c1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n[nH]1 ZINC000293916502 427489409 /nfs/dbraw/zinc/48/94/09/427489409.db2.gz MGEGOFPBSRHIJA-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298283359 427558493 /nfs/dbraw/zinc/55/84/93/427558493.db2.gz GZNXMYAMSLAASI-UHFFFAOYSA-N 2 1 317.433 2.624 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC[C@@H]3C)CC2)oc1C ZINC000192538368 427559407 /nfs/dbraw/zinc/55/94/07/427559407.db2.gz AFLDDIWLICGPCF-SUMWQHHRSA-N 2 1 321.465 2.518 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000271511796 427566216 /nfs/dbraw/zinc/56/62/16/427566216.db2.gz NWUZLNWQMPXRBM-ZYSHUDEJSA-N 2 1 317.477 2.809 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1c(F)cccc1F ZINC000298320988 427570086 /nfs/dbraw/zinc/57/00/86/427570086.db2.gz IIHALJGBGFLBAZ-AEFFLSMTSA-N 2 1 324.415 2.993 20 0 DFADMP CCc1oc(CN(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1C(=O)OC ZINC000338944958 427577393 /nfs/dbraw/zinc/57/73/93/427577393.db2.gz PFOBWQSGGMGVFK-BBRMVZONSA-N 2 1 322.449 2.791 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287317041 427577613 /nfs/dbraw/zinc/57/76/13/427577613.db2.gz DGPCLTQZKPAENS-GJZGRUSLSA-N 2 1 324.432 2.759 20 0 DFADMP COCC[N@@H+](C)CCCC1CCN(c2cc[nH+]cc2C)CC1 ZINC000192734333 427598903 /nfs/dbraw/zinc/59/89/03/427598903.db2.gz KVQIGWYTIXHVJI-UHFFFAOYSA-N 2 1 305.466 2.965 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185119680 427599248 /nfs/dbraw/zinc/59/92/48/427599248.db2.gz XWNZADOVBLMALM-KRWDZBQOSA-N 2 1 319.836 2.798 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CCc1cccc(Cl)c1 ZINC000298481605 427623746 /nfs/dbraw/zinc/62/37/46/427623746.db2.gz PLUBDKLYMUAHEB-QGZVFWFLSA-N 2 1 310.869 2.709 20 0 DFADMP Cc1cccc2c(N[C@@H](C)C[NH+]3CCN(C)CC3)c(C)c[nH+]c12 ZINC000185302217 427628801 /nfs/dbraw/zinc/62/88/01/427628801.db2.gz FQGGWADVICERJI-INIZCTEOSA-N 2 1 312.461 2.899 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](C[C@@H](C)O)[C@H](C)C1 ZINC000185297811 427630003 /nfs/dbraw/zinc/63/00/03/427630003.db2.gz VYZHWFRKYCBKCV-HZPDHXFCSA-N 2 1 313.445 2.743 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000287545085 427636067 /nfs/dbraw/zinc/63/60/67/427636067.db2.gz PLTGLAQKEAVMAE-XJKCOSOUSA-N 2 1 305.422 2.683 20 0 DFADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000272112138 427637930 /nfs/dbraw/zinc/63/79/30/427637930.db2.gz RKOHIHPUWOVCED-YJBOKZPZSA-N 2 1 308.441 2.756 20 0 DFADMP COCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000339042874 427644256 /nfs/dbraw/zinc/64/42/56/427644256.db2.gz CEPPVBZOWPIELR-GBESFXJTSA-N 2 1 318.461 2.517 20 0 DFADMP C[C@H](COc1ccc(F)cc1F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298564683 427651642 /nfs/dbraw/zinc/65/16/42/427651642.db2.gz WKLMUCIREYXEIG-GFCCVEGCSA-N 2 1 310.388 2.949 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@H](C)[NH+]1CCCCCC1)CC2 ZINC000342561504 272024726 /nfs/dbraw/zinc/02/47/26/272024726.db2.gz BEFWRSKVXIAZCR-KSZLIROESA-N 2 1 321.509 2.725 20 0 DFADMP C[N@H+](CC1CCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000342641128 272034878 /nfs/dbraw/zinc/03/48/78/272034878.db2.gz XYIBEGURZFWEBU-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](CC1CCCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000342641128 272034881 /nfs/dbraw/zinc/03/48/81/272034881.db2.gz XYIBEGURZFWEBU-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CC1CCCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000342641128 272034883 /nfs/dbraw/zinc/03/48/83/272034883.db2.gz XYIBEGURZFWEBU-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CC1CCCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000342641128 272034886 /nfs/dbraw/zinc/03/48/86/272034886.db2.gz XYIBEGURZFWEBU-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000342787320 272054041 /nfs/dbraw/zinc/05/40/41/272054041.db2.gz IXTCQRXFZOWYPV-DOTOQJQBSA-N 2 1 300.450 2.947 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000342859990 272062797 /nfs/dbraw/zinc/06/27/97/272062797.db2.gz MWQNNRIRWQUAHO-NUJGCVRESA-N 2 1 304.482 2.919 20 0 DFADMP CCCCNC(=O)C1([NH2+]CCCn2cc[nH+]c2C)CCCCC1 ZINC000342860616 272063704 /nfs/dbraw/zinc/06/37/04/272063704.db2.gz PXBFKWIUZBQANR-UHFFFAOYSA-N 2 1 320.481 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000342902702 272065718 /nfs/dbraw/zinc/06/57/18/272065718.db2.gz PFDIXGWKALXHFR-PBHICJAKSA-N 2 1 305.491 2.597 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C(C)(C)C)n1 ZINC000342904842 272066133 /nfs/dbraw/zinc/06/61/33/272066133.db2.gz VOIDAPGEZQHEMM-MRXNPFEDSA-N 2 1 318.509 2.881 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C(C)(C)C)n1 ZINC000342904842 272066135 /nfs/dbraw/zinc/06/61/35/272066135.db2.gz VOIDAPGEZQHEMM-MRXNPFEDSA-N 2 1 318.509 2.881 20 0 DFADMP Cn1cc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C(C)(C)C)n1 ZINC000342904842 272066138 /nfs/dbraw/zinc/06/61/38/272066138.db2.gz VOIDAPGEZQHEMM-MRXNPFEDSA-N 2 1 318.509 2.881 20 0 DFADMP Cn1cc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C(C)(C)C)n1 ZINC000342904842 272066140 /nfs/dbraw/zinc/06/61/40/272066140.db2.gz VOIDAPGEZQHEMM-MRXNPFEDSA-N 2 1 318.509 2.881 20 0 DFADMP Cc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000342928047 272067268 /nfs/dbraw/zinc/06/72/68/272067268.db2.gz PMNWLHRIMBMBTJ-BHIYHBOVSA-N 2 1 302.462 2.987 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000287690510 427670431 /nfs/dbraw/zinc/67/04/31/427670431.db2.gz WROCHZLDQYJYMA-JTDSTZFVSA-N 2 1 320.477 2.920 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cc(F)cc(Cl)c1 ZINC000279435557 427670547 /nfs/dbraw/zinc/67/05/47/427670547.db2.gz HAFHBCOKSMBOSX-ARFHVFGLSA-N 2 1 312.816 2.729 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cc(F)cc(Cl)c1 ZINC000279435557 427670555 /nfs/dbraw/zinc/67/05/55/427670555.db2.gz HAFHBCOKSMBOSX-ARFHVFGLSA-N 2 1 312.816 2.729 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000343045773 272078788 /nfs/dbraw/zinc/07/87/88/272078788.db2.gz OFJVFKXFINQVBJ-CVEARBPZSA-N 2 1 311.514 2.734 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N2CCCCC2)CC1 ZINC000343046136 272079150 /nfs/dbraw/zinc/07/91/50/272079150.db2.gz QIBKMSKWBRFPAX-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)n1 ZINC000343244060 272103460 /nfs/dbraw/zinc/10/34/60/272103460.db2.gz HLGIVANVBQMCTN-XHSDSOJGSA-N 2 1 323.506 2.521 20 0 DFADMP CC[N@@H+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)[C@@H](C)C1 ZINC000343257136 272106439 /nfs/dbraw/zinc/10/64/39/272106439.db2.gz XJXKJCUGNKFRSC-LBPRGKRZSA-N 2 1 303.381 2.913 20 0 DFADMP CC[N@H+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)[C@@H](C)C1 ZINC000343257136 272106442 /nfs/dbraw/zinc/10/64/42/272106442.db2.gz XJXKJCUGNKFRSC-LBPRGKRZSA-N 2 1 303.381 2.913 20 0 DFADMP CCc1cc(N(C)C[C@@H]2C[C@H](OC)C[N@H+]2C)c2ccccc2[nH+]1 ZINC000343299285 272115065 /nfs/dbraw/zinc/11/50/65/272115065.db2.gz BDZGILDLYMDDOK-HOTGVXAUSA-N 2 1 313.445 2.953 20 0 DFADMP CC(C)c1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)nc(N(C)C)[nH+]1 ZINC000343356246 272126917 /nfs/dbraw/zinc/12/69/17/272126917.db2.gz PYGFYMMOOBJBEA-YIONKMFJSA-N 2 1 317.481 2.727 20 0 DFADMP CC(C)c1cc(N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)nc(N(C)C)[nH+]1 ZINC000343356246 272126919 /nfs/dbraw/zinc/12/69/19/272126919.db2.gz PYGFYMMOOBJBEA-YIONKMFJSA-N 2 1 317.481 2.727 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000185581223 427673439 /nfs/dbraw/zinc/67/34/39/427673439.db2.gz OLPNMKLPXKEYIJ-HNNXBMFYSA-N 2 1 315.417 2.888 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCCN(Cc2cccc3nccn32)C1 ZINC000185581223 427673443 /nfs/dbraw/zinc/67/34/43/427673443.db2.gz OLPNMKLPXKEYIJ-HNNXBMFYSA-N 2 1 315.417 2.888 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000287695249 427674088 /nfs/dbraw/zinc/67/40/88/427674088.db2.gz IXVOVLDQGVVSLG-WBVHZDCISA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000287695249 427674093 /nfs/dbraw/zinc/67/40/93/427674093.db2.gz IXVOVLDQGVVSLG-WBVHZDCISA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000287695249 427674100 /nfs/dbraw/zinc/67/41/00/427674100.db2.gz IXVOVLDQGVVSLG-WBVHZDCISA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000287695249 427674107 /nfs/dbraw/zinc/67/41/07/427674107.db2.gz IXVOVLDQGVVSLG-WBVHZDCISA-N 2 1 303.450 2.623 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000339097655 427674317 /nfs/dbraw/zinc/67/43/17/427674317.db2.gz ZRIXDDYWZLHRQG-JCECYMMASA-N 2 1 312.498 2.669 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000343974004 272246032 /nfs/dbraw/zinc/24/60/32/272246032.db2.gz IDBDLSZYBLVYDA-PXNSSMCTSA-N 2 1 310.441 2.974 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000343974004 272246033 /nfs/dbraw/zinc/24/60/33/272246033.db2.gz IDBDLSZYBLVYDA-PXNSSMCTSA-N 2 1 310.441 2.974 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)s1)CC[NH+](C)C ZINC000344028322 272251539 /nfs/dbraw/zinc/25/15/39/272251539.db2.gz MYWXABMTRMSQJK-UHFFFAOYSA-N 2 1 303.903 2.717 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc(C(F)F)cc1)CC[NH+](C)C ZINC000344029945 272251844 /nfs/dbraw/zinc/25/18/44/272251844.db2.gz BDZWHROHEAAJRS-UHFFFAOYSA-N 2 1 313.436 2.940 20 0 DFADMP Fc1ccc2nc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)sc2c1 ZINC000344094800 272261939 /nfs/dbraw/zinc/26/19/39/272261939.db2.gz RGUMVIKLQQYTNX-LLVKDONJSA-N 2 1 316.405 2.984 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(F)c1 ZINC000344118426 272267866 /nfs/dbraw/zinc/26/78/66/272267866.db2.gz BVUHFJUYZYSGDR-UHFFFAOYSA-N 2 1 307.457 2.675 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@H]1OC ZINC000344172885 272279278 /nfs/dbraw/zinc/27/92/78/272279278.db2.gz PBQHFOFETPJEQU-IAGOWNOFSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H](C)C2 ZINC000272240580 427682617 /nfs/dbraw/zinc/68/26/17/427682617.db2.gz GOVGBGABFXGYGA-KXBFYZLASA-N 2 1 302.462 2.665 20 0 DFADMP CC1(C)[C@@H](O)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193313628 427683303 /nfs/dbraw/zinc/68/33/03/427683303.db2.gz MCBIZNMAKSZKKG-JEQQUTEPSA-N 2 1 314.473 2.931 20 0 DFADMP CC[C@@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000344518770 272333388 /nfs/dbraw/zinc/33/33/88/272333388.db2.gz BXWXQXKBGMESPW-IRXDYDNUSA-N 2 1 311.514 2.735 20 0 DFADMP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344528386 272334581 /nfs/dbraw/zinc/33/45/81/272334581.db2.gz LGKPQXWIXFALES-NRFANRHFSA-N 2 1 324.468 2.976 20 0 DFADMP CCc1ccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344528386 272334583 /nfs/dbraw/zinc/33/45/83/272334583.db2.gz LGKPQXWIXFALES-NRFANRHFSA-N 2 1 324.468 2.976 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(OCCOC)c2)[C@@H](C)C1 ZINC000344537251 272335447 /nfs/dbraw/zinc/33/54/47/272335447.db2.gz KAEMYLOFCOCMMU-MAUKXSAKSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCCOC)c2)[C@@H](C)C1 ZINC000344537256 272335832 /nfs/dbraw/zinc/33/58/32/272335832.db2.gz KAEMYLOFCOCMMU-YJBOKZPZSA-N 2 1 306.450 2.532 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344676996 272354902 /nfs/dbraw/zinc/35/49/02/272354902.db2.gz JUURBIOCVPEELI-UKBAYJJMSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000344676996 272354904 /nfs/dbraw/zinc/35/49/04/272354904.db2.gz JUURBIOCVPEELI-UKBAYJJMSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)C1 ZINC000344676996 272354905 /nfs/dbraw/zinc/35/49/05/272354905.db2.gz JUURBIOCVPEELI-UKBAYJJMSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344719705 272360343 /nfs/dbraw/zinc/36/03/43/272360343.db2.gz GAFDADRLVPMXEQ-MWDXBVQZSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000344719705 272360345 /nfs/dbraw/zinc/36/03/45/272360345.db2.gz GAFDADRLVPMXEQ-MWDXBVQZSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000344719705 272360347 /nfs/dbraw/zinc/36/03/47/272360347.db2.gz GAFDADRLVPMXEQ-MWDXBVQZSA-N 2 1 321.509 2.581 20 0 DFADMP CC[C@@H]1CN(c2cc[nH+]c3ccc(C)cc32)CC[N@H+]1C[C@@H](C)O ZINC000185640775 427685633 /nfs/dbraw/zinc/68/56/33/427685633.db2.gz BCQILKNKXMDCTI-HZPDHXFCSA-N 2 1 313.445 2.825 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000287759570 427687371 /nfs/dbraw/zinc/68/73/71/427687371.db2.gz ZRUQDNBOLIUETI-MSOLQXFVSA-N 2 1 318.461 2.818 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779731 427690953 /nfs/dbraw/zinc/69/09/53/427690953.db2.gz NIQXZEUZFQEABD-SJORKVTESA-N 2 1 310.869 2.660 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162417 427710671 /nfs/dbraw/zinc/71/06/71/427710671.db2.gz BSBIKBXMLIKPKZ-ZFWWWQNUSA-N 2 1 321.431 2.723 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)C1 ZINC000339180676 427720165 /nfs/dbraw/zinc/72/01/65/427720165.db2.gz DDTCBMOHXLXLNH-BBWFWOEESA-N 2 1 322.493 2.962 20 0 DFADMP CC(C)SCC[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000336846806 427757423 /nfs/dbraw/zinc/75/74/23/427757423.db2.gz RAUAFZCLAVBVJZ-CALCHBBNSA-N 2 1 313.555 2.618 20 0 DFADMP [NH3+]C[C@@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000337033756 427790880 /nfs/dbraw/zinc/79/08/80/427790880.db2.gz HGWJYBKADCARLZ-WOJBJXKFSA-N 2 1 315.505 2.658 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)[C@@H]1CCCc2ccccc21 ZINC000336858182 427762871 /nfs/dbraw/zinc/76/28/71/427762871.db2.gz XLQRXABGSQMXMT-PKOBYXMFSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000336858182 427762872 /nfs/dbraw/zinc/76/28/72/427762872.db2.gz XLQRXABGSQMXMT-PKOBYXMFSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000336858182 427762874 /nfs/dbraw/zinc/76/28/74/427762874.db2.gz XLQRXABGSQMXMT-PKOBYXMFSA-N 2 1 302.462 2.843 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2nc3ccc(F)cc3s2)CC1 ZINC000339407441 427769072 /nfs/dbraw/zinc/76/90/72/427769072.db2.gz LZCSITISJSXHNO-UHFFFAOYSA-N 2 1 323.437 2.765 20 0 DFADMP Cc1noc(CCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000336872901 427769396 /nfs/dbraw/zinc/76/93/96/427769396.db2.gz RGONOHABHOFLPV-RDJZCZTQSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000336872901 427769400 /nfs/dbraw/zinc/76/94/00/427769400.db2.gz RGONOHABHOFLPV-RDJZCZTQSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000336872901 427769402 /nfs/dbraw/zinc/76/94/02/427769402.db2.gz RGONOHABHOFLPV-RDJZCZTQSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000336872901 427769405 /nfs/dbraw/zinc/76/94/05/427769405.db2.gz RGONOHABHOFLPV-RDJZCZTQSA-N 2 1 320.481 2.897 20 0 DFADMP OC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000336876931 427770981 /nfs/dbraw/zinc/77/09/81/427770981.db2.gz WJFLFFZRAIOTRC-QUCCMNQESA-N 2 1 316.489 2.834 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000300201767 427772094 /nfs/dbraw/zinc/77/20/94/427772094.db2.gz AMTPKTXKWARXFK-FXUDXRNXSA-N 2 1 323.481 2.649 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000339428588 427773026 /nfs/dbraw/zinc/77/30/26/427773026.db2.gz PMYPMMUITBJSHF-SFHVURJKSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000339428588 427773029 /nfs/dbraw/zinc/77/30/29/427773029.db2.gz PMYPMMUITBJSHF-SFHVURJKSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCCCC(=O)OC(C)(C)C)C2)C1 ZINC000339428588 427773030 /nfs/dbraw/zinc/77/30/30/427773030.db2.gz PMYPMMUITBJSHF-SFHVURJKSA-N 2 1 310.482 2.916 20 0 DFADMP c1ccc(CCCO[C@H]2CC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000339427847 427773074 /nfs/dbraw/zinc/77/30/74/427773074.db2.gz DZNIPFUCSRVSBP-MOPGFXCFSA-N 2 1 302.462 2.710 20 0 DFADMP CN(CC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336704734 427748127 /nfs/dbraw/zinc/74/81/27/427748127.db2.gz GVLCLJCBBJUPLP-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CN(CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336704734 427748128 /nfs/dbraw/zinc/74/81/28/427748128.db2.gz GVLCLJCBBJUPLP-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CN(CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336704734 427748133 /nfs/dbraw/zinc/74/81/33/427748133.db2.gz GVLCLJCBBJUPLP-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000336723944 427751484 /nfs/dbraw/zinc/75/14/84/427751484.db2.gz WVMZMTGZHNFQNN-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000336723944 427751485 /nfs/dbraw/zinc/75/14/85/427751485.db2.gz WVMZMTGZHNFQNN-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCOC1 ZINC000336723944 427751486 /nfs/dbraw/zinc/75/14/86/427751486.db2.gz WVMZMTGZHNFQNN-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000337033751 427790644 /nfs/dbraw/zinc/79/06/44/427790644.db2.gz HGWJYBKADCARLZ-UXHICEINSA-N 2 1 315.505 2.658 20 0 DFADMP CCOCC[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301408776 427794986 /nfs/dbraw/zinc/79/49/86/427794986.db2.gz NPURENIVGCQOQM-UHFFFAOYSA-N 2 1 303.381 2.532 20 0 DFADMP CC(C)OC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000337348807 427857466 /nfs/dbraw/zinc/85/74/66/427857466.db2.gz ZKPSHOLXYZELME-IRXDYDNUSA-N 2 1 320.477 2.810 20 0 DFADMP CC(C)OC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000337348807 427857467 /nfs/dbraw/zinc/85/74/67/427857467.db2.gz ZKPSHOLXYZELME-IRXDYDNUSA-N 2 1 320.477 2.810 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000339694440 427813016 /nfs/dbraw/zinc/81/30/16/427813016.db2.gz KGBBLDNREVAESQ-IXDOHACOSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000301811538 427826144 /nfs/dbraw/zinc/82/61/44/427826144.db2.gz HDWKTIICNQTKTO-INIZCTEOSA-N 2 1 322.416 2.686 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCC2)C[C@@H]1c1ccccc1 ZINC000340377198 427835045 /nfs/dbraw/zinc/83/50/45/427835045.db2.gz SSPINYJUSZDFEZ-GBESFXJTSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)CC2CCC2)C[C@@H]1c1ccccc1 ZINC000340377198 427835049 /nfs/dbraw/zinc/83/50/49/427835049.db2.gz SSPINYJUSZDFEZ-GBESFXJTSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000340480522 427858514 /nfs/dbraw/zinc/85/85/14/427858514.db2.gz QBAZZAXUYJOTOG-HUUCEWRRSA-N 2 1 317.477 2.736 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)COC(C)C)[C@@H](C)C1 ZINC000337328686 427845270 /nfs/dbraw/zinc/84/52/70/427845270.db2.gz FBKNYFUWGJSNFQ-BBWFWOEESA-N 2 1 300.487 2.527 20 0 DFADMP CC[NH+]1CCN(C(=O)CC2CC[NH+]([C@H](C)CC(C)C)CC2)CC1 ZINC000355681076 427846213 /nfs/dbraw/zinc/84/62/13/427846213.db2.gz MPNXDHADRFQRCA-QGZVFWFLSA-N 2 1 323.525 2.687 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000340500311 427864812 /nfs/dbraw/zinc/86/48/12/427864812.db2.gz RIAMAXVVJPZEGB-ZJPYXAASSA-N 2 1 321.509 2.725 20 0 DFADMP CCSCC[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000355733600 427866242 /nfs/dbraw/zinc/86/62/42/427866242.db2.gz MAIPWWCAKHGFFV-SFHVURJKSA-N 2 1 321.534 2.708 20 0 DFADMP CC(C)c1nn(-c2ccccc2)cc1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359477240 427867925 /nfs/dbraw/zinc/86/79/25/427867925.db2.gz VZZLLKSFLSHNJW-IYBDPMFKSA-N 2 1 310.445 2.647 20 0 DFADMP CC(C)c1nn(-c2ccccc2)cc1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359477240 427867929 /nfs/dbraw/zinc/86/79/29/427867929.db2.gz VZZLLKSFLSHNJW-IYBDPMFKSA-N 2 1 310.445 2.647 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340504880 427868322 /nfs/dbraw/zinc/86/83/22/427868322.db2.gz QWMCMELFOKVSDM-MJGOQNOKSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340504880 427868329 /nfs/dbraw/zinc/86/83/29/427868329.db2.gz QWMCMELFOKVSDM-MJGOQNOKSA-N 2 1 310.445 2.753 20 0 DFADMP C/C(=C/c1ccccc1)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337476421 427925661 /nfs/dbraw/zinc/92/56/61/427925661.db2.gz SIFXQJIJXQTDRT-VLGSPTGOSA-N 2 1 301.478 2.659 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000302868858 427883832 /nfs/dbraw/zinc/88/38/32/427883832.db2.gz QICDRMIQKABHAS-ZCNNSNEGSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000302868858 427883839 /nfs/dbraw/zinc/88/38/39/427883839.db2.gz QICDRMIQKABHAS-ZCNNSNEGSA-N 2 1 313.489 2.867 20 0 DFADMP CCc1nc(NC[C@@H](c2ccc(F)cc2)[NH+](C)C)cc(C)[nH+]1 ZINC000339968600 427890892 /nfs/dbraw/zinc/89/08/92/427890892.db2.gz DQOMXVSGPOSDQF-HNNXBMFYSA-N 2 1 302.397 3.201 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000349898216 427891163 /nfs/dbraw/zinc/89/11/63/427891163.db2.gz XPMHZHLIOKSURF-OAHLLOKOSA-N 2 1 323.400 2.725 20 0 DFADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Br)c1ccco1 ZINC000339975216 427892282 /nfs/dbraw/zinc/89/22/82/427892282.db2.gz FLLVGEHWHNYMAD-GFCCVEGCSA-N 2 1 310.195 2.574 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCn4cc[nH+]c4C3)n2)cc1 ZINC000349918155 427899781 /nfs/dbraw/zinc/89/97/81/427899781.db2.gz AKHDSOASOMRPSN-OAHLLOKOSA-N 2 1 323.400 2.725 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000303219893 427900262 /nfs/dbraw/zinc/90/02/62/427900262.db2.gz HTCGGQYSLJWZMZ-MOPGFXCFSA-N 2 1 302.462 2.820 20 0 DFADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000355823687 427909226 /nfs/dbraw/zinc/90/92/26/427909226.db2.gz YXUZNICJNUBNEP-CVEARBPZSA-N 2 1 317.477 2.741 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1)CC1CC1 ZINC000359570625 427917314 /nfs/dbraw/zinc/91/73/14/427917314.db2.gz IXWRFUTYDZXEIS-OAHLLOKOSA-N 2 1 322.415 2.744 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000359579365 427919552 /nfs/dbraw/zinc/91/95/52/427919552.db2.gz QKOHJDMFOBIALB-NEPJUHHUSA-N 2 1 303.381 2.911 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000359579365 427919555 /nfs/dbraw/zinc/91/95/55/427919555.db2.gz QKOHJDMFOBIALB-NEPJUHHUSA-N 2 1 303.381 2.911 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000304260698 427920903 /nfs/dbraw/zinc/92/09/03/427920903.db2.gz FMSZWLRKUHGTLW-RHSMWYFYSA-N 2 1 308.853 2.791 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000304260698 427920909 /nfs/dbraw/zinc/92/09/09/427920909.db2.gz FMSZWLRKUHGTLW-RHSMWYFYSA-N 2 1 308.853 2.791 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000337469175 427920998 /nfs/dbraw/zinc/92/09/98/427920998.db2.gz OPIRZWUTSFKONL-GJZGRUSLSA-N 2 1 321.431 2.675 20 0 DFADMP Cc1nn(C)c(C)c1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340216886 427956801 /nfs/dbraw/zinc/95/68/01/427956801.db2.gz FEZVJQXTKADEAE-PKOBYXMFSA-N 2 1 312.461 2.962 20 0 DFADMP CC(C)[N@H+](C)CCN[C@@H]1CCC[NH+](Cc2ccccc2)[C@@H]1C ZINC000340222838 427958307 /nfs/dbraw/zinc/95/83/07/427958307.db2.gz PHNXCZBALRVUND-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[NH+](Cc2ccccc2)[C@@H]1C ZINC000340222838 427958311 /nfs/dbraw/zinc/95/83/11/427958311.db2.gz PHNXCZBALRVUND-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340222838 427958317 /nfs/dbraw/zinc/95/83/17/427958317.db2.gz PHNXCZBALRVUND-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340222838 427958322 /nfs/dbraw/zinc/95/83/22/427958322.db2.gz PHNXCZBALRVUND-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC[C@@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)[NH+](CC)CC ZINC000345949370 427962005 /nfs/dbraw/zinc/96/20/05/427962005.db2.gz FLNBBVXUZSINBQ-ZDUSSCGKSA-N 2 1 324.494 2.580 20 0 DFADMP CC[C@@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)[NH+](CC)CC ZINC000345949370 427962008 /nfs/dbraw/zinc/96/20/08/427962008.db2.gz FLNBBVXUZSINBQ-ZDUSSCGKSA-N 2 1 324.494 2.580 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCSCCCO)C[C@H]1c1ccccc1 ZINC000340241217 427966285 /nfs/dbraw/zinc/96/62/85/427966285.db2.gz CFAMIBJAERHUGN-IRXDYDNUSA-N 2 1 308.491 2.527 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCSCCCO)C[C@H]1c1ccccc1 ZINC000340241217 427966288 /nfs/dbraw/zinc/96/62/88/427966288.db2.gz CFAMIBJAERHUGN-IRXDYDNUSA-N 2 1 308.491 2.527 20 0 DFADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000359697170 427976616 /nfs/dbraw/zinc/97/66/16/427976616.db2.gz QTVQYTSTRBVFEJ-QGZVFWFLSA-N 2 1 304.482 2.748 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000359697170 427976620 /nfs/dbraw/zinc/97/66/20/427976620.db2.gz QTVQYTSTRBVFEJ-QGZVFWFLSA-N 2 1 304.482 2.748 20 0 DFADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340351175 427993176 /nfs/dbraw/zinc/99/31/76/427993176.db2.gz BLJNWVDHUWDJAA-INDMIFKZSA-N 2 1 318.461 2.606 20 0 DFADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340351175 427993181 /nfs/dbraw/zinc/99/31/81/427993181.db2.gz BLJNWVDHUWDJAA-INDMIFKZSA-N 2 1 318.461 2.606 20 0 DFADMP C[N@@H+](Cc1ccc(OCc2ccncc2)cc1)C1CC[NH2+]CC1 ZINC000347189451 272744066 /nfs/dbraw/zinc/74/40/66/272744066.db2.gz DNKBCANYPPGIKS-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000340183131 427948480 /nfs/dbraw/zinc/94/84/80/427948480.db2.gz VFULALGSNKKQKB-MOPGFXCFSA-N 2 1 301.478 2.897 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000340919340 427952628 /nfs/dbraw/zinc/95/26/28/427952628.db2.gz YFAWJYLKQZRYMD-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000340919340 427952632 /nfs/dbraw/zinc/95/26/32/427952632.db2.gz YFAWJYLKQZRYMD-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000340919340 427952638 /nfs/dbraw/zinc/95/26/38/427952638.db2.gz YFAWJYLKQZRYMD-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000340919353 427954250 /nfs/dbraw/zinc/95/42/50/427954250.db2.gz YFAWJYLKQZRYMD-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000340919353 427954264 /nfs/dbraw/zinc/95/42/64/427954264.db2.gz YFAWJYLKQZRYMD-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000340919353 427954266 /nfs/dbraw/zinc/95/42/66/427954266.db2.gz YFAWJYLKQZRYMD-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]C3CCSCC3)CCCC2)CC1 ZINC000341257507 428030555 /nfs/dbraw/zinc/03/05/55/428030555.db2.gz IYOQHAKTBBPVCR-UHFFFAOYSA-N 2 1 312.523 2.895 20 0 DFADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)cc[nH+]1 ZINC000369733514 428046604 /nfs/dbraw/zinc/04/66/04/428046604.db2.gz ZDDHMQQEZNMLIY-MAUKXSAKSA-N 2 1 313.449 2.643 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170993 428050544 /nfs/dbraw/zinc/05/05/44/428050544.db2.gz NOAMEHLEBHYNIK-WMLDXEAASA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170993 428050548 /nfs/dbraw/zinc/05/05/48/428050548.db2.gz NOAMEHLEBHYNIK-WMLDXEAASA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170993 428050554 /nfs/dbraw/zinc/05/05/54/428050554.db2.gz NOAMEHLEBHYNIK-WMLDXEAASA-N 2 1 316.474 2.850 20 0 DFADMP C[N@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000359877942 428058098 /nfs/dbraw/zinc/05/80/98/428058098.db2.gz MPTLPFBCKOBCAJ-SFHVURJKSA-N 2 1 311.429 2.838 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@@H](C[NH3+])C1CC1 ZINC000359877942 428058102 /nfs/dbraw/zinc/05/81/02/428058102.db2.gz MPTLPFBCKOBCAJ-SFHVURJKSA-N 2 1 311.429 2.838 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000359741038 427998435 /nfs/dbraw/zinc/99/84/35/427998435.db2.gz BWNNHURVPWFWGC-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359741038 427998437 /nfs/dbraw/zinc/99/84/37/427998437.db2.gz BWNNHURVPWFWGC-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359741038 427998441 /nfs/dbraw/zinc/99/84/41/427998441.db2.gz BWNNHURVPWFWGC-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CC1 ZINC000376804764 428001684 /nfs/dbraw/zinc/00/16/84/428001684.db2.gz QXTDKKVAXDPDHB-KZNAEPCWSA-N 2 1 324.509 2.672 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@H]1CCCSC1 ZINC000376826077 428006399 /nfs/dbraw/zinc/00/63/99/428006399.db2.gz NPEOFPYNWGFZSX-WCXIOVBPSA-N 2 1 312.523 2.609 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@H]1CCCSC1 ZINC000376826075 428007450 /nfs/dbraw/zinc/00/74/50/428007450.db2.gz NPEOFPYNWGFZSX-NCOADZHNSA-N 2 1 312.523 2.609 20 0 DFADMP Clc1ccc(CCC[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000369613150 428014406 /nfs/dbraw/zinc/01/44/06/428014406.db2.gz KJPVCSCIJRLKGZ-KRWDZBQOSA-N 2 1 322.880 2.927 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000351861451 428112802 /nfs/dbraw/zinc/11/28/02/428112802.db2.gz LKXWPFNOORETEK-RYUDHWBXSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000351859197 428113807 /nfs/dbraw/zinc/11/38/07/428113807.db2.gz FVLVIMAFKJOAPW-RYUDHWBXSA-N 2 1 302.340 2.753 20 0 DFADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)C2 ZINC000377358323 428113996 /nfs/dbraw/zinc/11/39/96/428113996.db2.gz NCVYLYLYVCSZKI-NWJVMNJYSA-N 2 1 313.489 2.894 20 0 DFADMP C[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccccc1 ZINC000377358323 428114002 /nfs/dbraw/zinc/11/40/02/428114002.db2.gz NCVYLYLYVCSZKI-NWJVMNJYSA-N 3 1 313.489 2.894 20 0 DFADMP C[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccccc1 ZINC000377358323 428114008 /nfs/dbraw/zinc/11/40/08/428114008.db2.gz NCVYLYLYVCSZKI-NWJVMNJYSA-N 3 1 313.489 2.894 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860494 428114254 /nfs/dbraw/zinc/11/42/54/428114254.db2.gz ISVCTVPWCGDRJJ-WCQYABFASA-N 2 1 320.824 2.602 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394061 428119933 /nfs/dbraw/zinc/11/99/33/428119933.db2.gz SRVCSUKEHKLKLK-NVXWUHKLSA-N 2 1 319.497 2.788 20 0 DFADMP C[C@@H]1[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@@H+]1C ZINC000346322114 428124161 /nfs/dbraw/zinc/12/41/61/428124161.db2.gz HLDGYWFVASSYNM-APWZRJJASA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)CCC[N@H+]1C ZINC000346322114 428124166 /nfs/dbraw/zinc/12/41/66/428124166.db2.gz HLDGYWFVASSYNM-APWZRJJASA-N 2 1 301.478 2.723 20 0 DFADMP Cc1nn2c(C[N@@H+](CCC[NH3+])CC3CCCC3)c(C)nc2s1 ZINC000352546054 428145905 /nfs/dbraw/zinc/14/59/05/428145905.db2.gz ORFOJLYLWCKIEG-UHFFFAOYSA-N 2 1 321.494 2.749 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)C[C@H]1C ZINC000360051714 428134684 /nfs/dbraw/zinc/13/46/84/428134684.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000360051714 428134690 /nfs/dbraw/zinc/13/46/90/428134690.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000360051714 428134695 /nfs/dbraw/zinc/13/46/95/428134695.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000360051714 428134701 /nfs/dbraw/zinc/13/47/01/428134701.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000360051714 428134705 /nfs/dbraw/zinc/13/47/05/428134705.db2.gz GDIWWINELGFRIG-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+])OCCO2 ZINC000352535035 428139752 /nfs/dbraw/zinc/13/97/52/428139752.db2.gz LOXKBVILQGVBNW-CQSZACIVSA-N 2 1 322.474 2.883 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC[NH3+])OCCO2 ZINC000352535035 428139756 /nfs/dbraw/zinc/13/97/56/428139756.db2.gz LOXKBVILQGVBNW-CQSZACIVSA-N 2 1 322.474 2.883 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])cnc21 ZINC000352534338 428139893 /nfs/dbraw/zinc/13/98/93/428139893.db2.gz FOBSCUQUPLTCHD-INIZCTEOSA-N 2 1 301.438 2.716 20 0 DFADMP Brc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000377493509 428140272 /nfs/dbraw/zinc/14/02/72/428140272.db2.gz GKHDPMQNDIDSFA-SNVBAGLBSA-N 2 1 312.236 2.812 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000346360635 428140458 /nfs/dbraw/zinc/14/04/58/428140458.db2.gz JGLAFRRCRFZMPF-WCIQWLHISA-N 2 1 314.473 2.913 20 0 DFADMP [NH3+]CCC[N@H+](Cc1ccc2c(c1)OCCO2)CC1CCCC1 ZINC000352539761 428141496 /nfs/dbraw/zinc/14/14/96/428141496.db2.gz CMCFWIIGTHLQEL-UHFFFAOYSA-N 2 1 304.434 2.799 20 0 DFADMP CC(C)SCC[N@@H+](C)C1CC[NH+](C2CCOCC2)CC1 ZINC000370186681 428152751 /nfs/dbraw/zinc/15/27/51/428152751.db2.gz UNYNSHUUFAZXPN-UHFFFAOYSA-N 2 1 300.512 2.703 20 0 DFADMP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352553687 428146961 /nfs/dbraw/zinc/14/69/61/428146961.db2.gz DBVAODIUWHJSOA-QGZVFWFLSA-N 2 1 322.472 2.679 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346374797 428147228 /nfs/dbraw/zinc/14/72/28/428147228.db2.gz BMJCPZGBDREXHA-GDBMZVCRSA-N 2 1 303.450 2.725 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000377550020 428154530 /nfs/dbraw/zinc/15/45/30/428154530.db2.gz NRDMJDUCYPRPGZ-UHFFFAOYSA-N 2 1 312.404 2.769 20 0 DFADMP CSC1(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000377543703 428156758 /nfs/dbraw/zinc/15/67/58/428156758.db2.gz RQIAWOWOSWNSTM-CQSZACIVSA-N 2 1 306.479 2.547 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[C@@H]1C ZINC000346424614 428167705 /nfs/dbraw/zinc/16/77/05/428167705.db2.gz DLQHUPQAPSZNEY-RCCFBDPRSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000377622486 428173753 /nfs/dbraw/zinc/17/37/53/428173753.db2.gz GRRUUWWTUQBPGQ-LJQANCHMSA-N 2 1 301.478 2.595 20 0 DFADMP CC(C)[C@](C)(O)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370304871 428180409 /nfs/dbraw/zinc/18/04/09/428180409.db2.gz CNEWUTFQMHBAKV-MAUKXSAKSA-N 2 1 305.466 2.806 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CC[C@H]3CCCO3)C1)CCCC2 ZINC000346519444 428205555 /nfs/dbraw/zinc/20/55/55/428205555.db2.gz AQUOVBOQMYMSGM-HZPDHXFCSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CC[C@H]3CCCO3)C1)CCCC2 ZINC000346519444 428205561 /nfs/dbraw/zinc/20/55/61/428205561.db2.gz AQUOVBOQMYMSGM-HZPDHXFCSA-N 2 1 303.450 2.886 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)cn1 ZINC000414109871 428208008 /nfs/dbraw/zinc/20/80/08/428208008.db2.gz HQTJUOQYTDXLJV-AWEZNQCLSA-N 2 1 302.422 2.596 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCO[C@@H](C)C3)C2)[nH+]1 ZINC000352695194 428208404 /nfs/dbraw/zinc/20/84/04/428208404.db2.gz TZBRBPIBOFZOCM-ULQDDVLXSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCO[C@@H](C)C3)C2)[nH+]1 ZINC000352695194 428208411 /nfs/dbraw/zinc/20/84/11/428208411.db2.gz TZBRBPIBOFZOCM-ULQDDVLXSA-N 2 1 303.450 2.939 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3CCO)sc2C1 ZINC000370428549 428209813 /nfs/dbraw/zinc/20/98/13/428209813.db2.gz QEBRKIQQPVGXJG-KBPBESRZSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@H]3CCO)sc2C1 ZINC000370428549 428209816 /nfs/dbraw/zinc/20/98/16/428209816.db2.gz QEBRKIQQPVGXJG-KBPBESRZSA-N 2 1 323.506 2.550 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770614 428240840 /nfs/dbraw/zinc/24/08/40/428240840.db2.gz NEUZNUPYPRCJBV-CGTJXYLNSA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770614 428240846 /nfs/dbraw/zinc/24/08/46/428240846.db2.gz NEUZNUPYPRCJBV-CGTJXYLNSA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770614 428240848 /nfs/dbraw/zinc/24/08/48/428240848.db2.gz NEUZNUPYPRCJBV-CGTJXYLNSA-N 2 1 322.880 2.832 20 0 DFADMP C[C@@H](O)C[N@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000414140138 428218429 /nfs/dbraw/zinc/21/84/29/428218429.db2.gz IUPLBFFCHPWLNZ-VQIMIIECSA-N 2 1 316.489 2.990 20 0 DFADMP CC[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cn1 ZINC000352722047 428220845 /nfs/dbraw/zinc/22/08/45/428220845.db2.gz NLUWVCRJCFORHO-QGZVFWFLSA-N 2 1 322.472 2.535 20 0 DFADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000377764854 428222191 /nfs/dbraw/zinc/22/21/91/428222191.db2.gz ZKTXPZHILCVTBK-FGTMMUONSA-N 2 1 310.445 2.718 20 0 DFADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000377764854 428222201 /nfs/dbraw/zinc/22/22/01/428222201.db2.gz ZKTXPZHILCVTBK-FGTMMUONSA-N 2 1 310.445 2.718 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000377763273 428223104 /nfs/dbraw/zinc/22/31/04/428223104.db2.gz VMEPTZNSTAILQH-ROUUACIJSA-N 2 1 323.525 2.591 20 0 DFADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000414181165 428226545 /nfs/dbraw/zinc/22/65/45/428226545.db2.gz MCTXLOUAQRSGAR-PBHICJAKSA-N 2 1 316.424 2.960 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000414181165 428226554 /nfs/dbraw/zinc/22/65/54/428226554.db2.gz MCTXLOUAQRSGAR-PBHICJAKSA-N 2 1 316.424 2.960 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CCNCc1ncc(C[NH+](C)C)s1 ZINC000352747176 428230044 /nfs/dbraw/zinc/23/00/44/428230044.db2.gz DQSHRCZWZGTVGC-CQSZACIVSA-N 2 1 310.511 2.559 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNCc1ncc(C[NH+](C)C)s1 ZINC000352747176 428230050 /nfs/dbraw/zinc/23/00/50/428230050.db2.gz DQSHRCZWZGTVGC-CQSZACIVSA-N 2 1 310.511 2.559 20 0 DFADMP CCC[NH+](CCC)CCCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000341863266 428232946 /nfs/dbraw/zinc/23/29/46/428232946.db2.gz NGVNSWDRLRJIGB-BBWFWOEESA-N 2 1 311.514 2.876 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203562 428233933 /nfs/dbraw/zinc/23/39/33/428233933.db2.gz ZMAHWBZBQSELPU-BBRMVZONSA-N 2 1 319.424 2.921 20 0 DFADMP CC(C)C[N@@H+]1CCCC[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000352755571 428234493 /nfs/dbraw/zinc/23/44/93/428234493.db2.gz MMJLZOFHVWDDGY-HNNXBMFYSA-N 2 1 324.538 2.805 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000352755571 428234497 /nfs/dbraw/zinc/23/44/97/428234497.db2.gz MMJLZOFHVWDDGY-HNNXBMFYSA-N 2 1 324.538 2.805 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2c(C)[nH]c3ccccc32)CC1 ZINC000360162905 428186647 /nfs/dbraw/zinc/18/66/47/428186647.db2.gz PRSUSRSKFHOUBM-UHFFFAOYSA-N 2 1 315.461 2.719 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000414056603 428193850 /nfs/dbraw/zinc/19/38/50/428193850.db2.gz DQLASSIXMCEUSS-JYJNAYRXSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCC[C@H](C)C2)cn1 ZINC000414056603 428193855 /nfs/dbraw/zinc/19/38/55/428193855.db2.gz DQLASSIXMCEUSS-JYJNAYRXSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H](C(C)C)[NH+]2CCCC2)cn1 ZINC000414075254 428198784 /nfs/dbraw/zinc/19/87/84/428198784.db2.gz XNEMSQLFKZHOMZ-NVXWUHKLSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377694376 428200331 /nfs/dbraw/zinc/20/03/31/428200331.db2.gz ISCZQJOWSPJUDJ-CHWSQXEVSA-N 2 1 301.390 2.511 20 0 DFADMP Cc1nc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc12 ZINC000370409886 428204061 /nfs/dbraw/zinc/20/40/61/428204061.db2.gz JQNKWGRVLBBYET-HNNXBMFYSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1nc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)nc2ccccc12 ZINC000370409886 428204068 /nfs/dbraw/zinc/20/40/68/428204068.db2.gz JQNKWGRVLBBYET-HNNXBMFYSA-N 2 1 321.428 2.829 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000414339882 428263559 /nfs/dbraw/zinc/26/35/59/428263559.db2.gz SYQFPZLEFQMTNU-SQNIBIBYSA-N 2 1 316.445 2.897 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000414339882 428263563 /nfs/dbraw/zinc/26/35/63/428263563.db2.gz SYQFPZLEFQMTNU-SQNIBIBYSA-N 2 1 316.445 2.897 20 0 DFADMP O=C(NCCCCC[NH+]1CCCCC1)[C@@H]1CCCc2[nH+]ccn21 ZINC000377934738 428267195 /nfs/dbraw/zinc/26/71/95/428267195.db2.gz BXRXZZGCYYSWRB-INIZCTEOSA-N 2 1 318.465 2.533 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414347446 428267762 /nfs/dbraw/zinc/26/77/62/428267762.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347446 428267768 /nfs/dbraw/zinc/26/77/68/428267768.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347446 428267773 /nfs/dbraw/zinc/26/77/73/428267773.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347446 428267778 /nfs/dbraw/zinc/26/77/78/428267778.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347446 428267779 /nfs/dbraw/zinc/26/77/79/428267779.db2.gz QZUUIDOFWBHLMA-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000414356008 428271210 /nfs/dbraw/zinc/27/12/10/428271210.db2.gz ZOVXTDGQNKJEJJ-XYJFISCASA-N 2 1 303.425 2.621 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000346689741 428272565 /nfs/dbraw/zinc/27/25/65/428272565.db2.gz SOJZKRHCEXLHAY-SWLSCSKDSA-N 2 1 316.424 2.797 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000377969624 428273160 /nfs/dbraw/zinc/27/31/60/428273160.db2.gz ZFEJEPSCNNCIQY-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000377969624 428273166 /nfs/dbraw/zinc/27/31/66/428273166.db2.gz ZFEJEPSCNNCIQY-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000377969624 428273171 /nfs/dbraw/zinc/27/31/71/428273171.db2.gz ZFEJEPSCNNCIQY-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000346692536 428276025 /nfs/dbraw/zinc/27/60/25/428276025.db2.gz ZSVNDWAVDNDHCU-HOTGVXAUSA-N 2 1 311.429 2.830 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000370690346 428276099 /nfs/dbraw/zinc/27/60/99/428276099.db2.gz MKXIEZFWSOQHOL-GDBMZVCRSA-N 2 1 302.447 2.828 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000370690346 428276105 /nfs/dbraw/zinc/27/61/05/428276105.db2.gz MKXIEZFWSOQHOL-GDBMZVCRSA-N 2 1 302.447 2.828 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000346694764 428276669 /nfs/dbraw/zinc/27/66/69/428276669.db2.gz WBLPBCKIKDYQKR-KDOFPFPSSA-N 2 1 312.461 2.717 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352855615 428280900 /nfs/dbraw/zinc/28/09/00/428280900.db2.gz TVYBCNJZKCPXFF-MJGOQNOKSA-N 2 1 307.526 2.986 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(C)c1OC ZINC000342054782 428286188 /nfs/dbraw/zinc/28/61/88/428286188.db2.gz ASCAJLRSVOWYBW-CYBMUJFWSA-N 2 1 317.433 2.943 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)c2O1 ZINC000414433971 428295513 /nfs/dbraw/zinc/29/55/13/428295513.db2.gz LMNWQBDJUHZNGO-NSHDSACASA-N 2 1 321.327 2.557 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000356764066 428296514 /nfs/dbraw/zinc/29/65/14/428296514.db2.gz GUUUNBWTFLAKBT-INIZCTEOSA-N 2 1 317.477 2.741 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342091811 428297171 /nfs/dbraw/zinc/29/71/71/428297171.db2.gz CSXMSAROECQCOH-QAETUUGQSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000342091811 428297175 /nfs/dbraw/zinc/29/71/75/428297175.db2.gz CSXMSAROECQCOH-QAETUUGQSA-N 2 1 315.461 2.690 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356590003 428243984 /nfs/dbraw/zinc/24/39/84/428243984.db2.gz BBQZEXVZHLVEHR-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000356590003 428243985 /nfs/dbraw/zinc/24/39/85/428243985.db2.gz BBQZEXVZHLVEHR-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377861665 428247731 /nfs/dbraw/zinc/24/77/31/428247731.db2.gz SHPIEJGBTJGOGA-MRXNPFEDSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000377861665 428247735 /nfs/dbraw/zinc/24/77/35/428247735.db2.gz SHPIEJGBTJGOGA-MRXNPFEDSA-N 2 1 312.417 2.536 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+](C)Cc1ccccc1 ZINC000356596777 428248713 /nfs/dbraw/zinc/24/87/13/428248713.db2.gz LFBWEUQHRUXRFB-DLBZAZTESA-N 2 1 319.493 2.744 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000356596777 428248717 /nfs/dbraw/zinc/24/87/17/428248717.db2.gz LFBWEUQHRUXRFB-DLBZAZTESA-N 2 1 319.493 2.744 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356596777 428248722 /nfs/dbraw/zinc/24/87/22/428248722.db2.gz LFBWEUQHRUXRFB-DLBZAZTESA-N 2 1 319.493 2.744 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2OC)[C@H](C)C1 ZINC000341911453 428248904 /nfs/dbraw/zinc/24/89/04/428248904.db2.gz UTUYVZPBIXSJLX-OWSLCNJRSA-N 2 1 312.498 2.528 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)nn1C ZINC000414284028 428250529 /nfs/dbraw/zinc/25/05/29/428250529.db2.gz KBZJLAWBWNDIFE-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)nn1C ZINC000414284028 428250534 /nfs/dbraw/zinc/25/05/34/428250534.db2.gz KBZJLAWBWNDIFE-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCn2ccnc2C1 ZINC000377869855 428250822 /nfs/dbraw/zinc/25/08/22/428250822.db2.gz RDKYMSYWXZSUEU-HNNXBMFYSA-N 2 1 309.413 2.853 20 0 DFADMP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377869855 428250829 /nfs/dbraw/zinc/25/08/29/428250829.db2.gz RDKYMSYWXZSUEU-HNNXBMFYSA-N 2 1 309.413 2.853 20 0 DFADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377869855 428250835 /nfs/dbraw/zinc/25/08/35/428250835.db2.gz RDKYMSYWXZSUEU-HNNXBMFYSA-N 2 1 309.413 2.853 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1C(F)(F)F ZINC000414320273 428258203 /nfs/dbraw/zinc/25/82/03/428258203.db2.gz SFDKLPZVXQIQDR-CQSZACIVSA-N 2 1 316.367 2.560 20 0 DFADMP CC[N@H+]1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000414330930 428261124 /nfs/dbraw/zinc/26/11/24/428261124.db2.gz CKUQEFACDPWXJH-YLJYHZDGSA-N 2 1 315.505 2.766 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC)CC2)[C@@H]1Oc1ccccc1 ZINC000346658373 428261890 /nfs/dbraw/zinc/26/18/90/428261890.db2.gz XYUCDLJCAXCKHP-QRVBRYPASA-N 2 1 318.461 2.685 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC000342111884 428306507 /nfs/dbraw/zinc/30/65/07/428306507.db2.gz VAZJYJYUDYBRCN-YNEHKIRRSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)C[C@H]21 ZINC000342111884 428306513 /nfs/dbraw/zinc/30/65/13/428306513.db2.gz VAZJYJYUDYBRCN-YNEHKIRRSA-N 2 1 303.431 2.962 20 0 DFADMP CN1CC[C@H]2CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@@H]2C1 ZINC000352928159 428316799 /nfs/dbraw/zinc/31/67/99/428316799.db2.gz CBUGUSHTVZBMOT-DOTOQJQBSA-N 2 1 300.446 2.926 20 0 DFADMP CN1CC[C@H]2CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)[C@@H]2C1 ZINC000352928159 428316801 /nfs/dbraw/zinc/31/68/01/428316801.db2.gz CBUGUSHTVZBMOT-DOTOQJQBSA-N 2 1 300.446 2.926 20 0 DFADMP CCC[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc(OC)cc1 ZINC000378167956 428323827 /nfs/dbraw/zinc/32/38/27/428323827.db2.gz YRDSJMMYRHDDBI-UHOSZYNNSA-N 2 1 318.461 2.989 20 0 DFADMP CCC[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc(OC)cc1 ZINC000378167956 428323830 /nfs/dbraw/zinc/32/38/30/428323830.db2.gz YRDSJMMYRHDDBI-UHOSZYNNSA-N 2 1 318.461 2.989 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccncc4)s3)C[C@H]21 ZINC000346813360 428326160 /nfs/dbraw/zinc/32/61/60/428326160.db2.gz AVWYNGGVYYWVPB-NUEKZKHPSA-N 2 1 314.458 2.764 20 0 DFADMP C[C@](O)(C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000356838372 428331014 /nfs/dbraw/zinc/33/10/14/428331014.db2.gz ILTDXSOJMQTPKJ-NBYUQASBSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000346824933 428331052 /nfs/dbraw/zinc/33/10/52/428331052.db2.gz DCAYDZGUOJWYBK-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCC[NH2+]C1 ZINC000346829516 428334975 /nfs/dbraw/zinc/33/49/75/428334975.db2.gz VKUASZRDRNFVLH-MRXNPFEDSA-N 2 1 312.461 2.941 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCOC1 ZINC000356840450 428335307 /nfs/dbraw/zinc/33/53/07/428335307.db2.gz FLTZJFRJZSOUGP-IYWMVGAKSA-N 2 1 314.473 2.913 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccc(F)cc2)n[nH]1)CC(C)(C)[NH3+] ZINC000346841732 428341245 /nfs/dbraw/zinc/34/12/45/428341245.db2.gz HANKOWRXFYKFIM-UHFFFAOYSA-N 2 1 304.413 2.818 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346841269 428341361 /nfs/dbraw/zinc/34/13/61/428341361.db2.gz GYXDZZWTTKLMLP-JYJNAYRXSA-N 2 1 304.434 2.653 20 0 DFADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000346852477 428344793 /nfs/dbraw/zinc/34/47/93/428344793.db2.gz RREIUBRDAFQSSR-ZBFHGGJFSA-N 2 1 302.418 2.594 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)C[NH+](C)C(C)C)CC1)CC1CC1 ZINC000356889413 428352271 /nfs/dbraw/zinc/35/22/71/428352271.db2.gz FBAGUMXZZPGEAQ-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)C[N@H+](C)C(C)C)CC1)CC1CC1 ZINC000356889413 428352276 /nfs/dbraw/zinc/35/22/76/428352276.db2.gz FBAGUMXZZPGEAQ-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1)CC1CC1 ZINC000356889413 428352280 /nfs/dbraw/zinc/35/22/80/428352280.db2.gz FBAGUMXZZPGEAQ-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP CC[N@@H+]1CCc2nc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)sc2C1 ZINC000346873229 428354029 /nfs/dbraw/zinc/35/40/29/428354029.db2.gz ZTZUDYRLACZDLU-LLVKDONJSA-N 2 1 324.494 2.626 20 0 DFADMP CC[N@H+]1CCc2nc(NC(=O)[C@@H](C)[NH2+]C(C)(C)CC)sc2C1 ZINC000346873229 428354036 /nfs/dbraw/zinc/35/40/36/428354036.db2.gz ZTZUDYRLACZDLU-LLVKDONJSA-N 2 1 324.494 2.626 20 0 DFADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1cccc(Cl)c1 ZINC000357100443 428388696 /nfs/dbraw/zinc/38/86/96/428388696.db2.gz FRYLBTNCSJXWFX-CQSZACIVSA-N 2 1 321.852 2.600 20 0 DFADMP COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735206 428391192 /nfs/dbraw/zinc/39/11/92/428391192.db2.gz CETPMWVZMZXTOO-DZGCQCFKSA-N 2 1 324.852 2.703 20 0 DFADMP COC(=O)C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735206 428391194 /nfs/dbraw/zinc/39/11/94/428391194.db2.gz CETPMWVZMZXTOO-DZGCQCFKSA-N 2 1 324.852 2.703 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H](O)C(F)(F)F ZINC000371440500 428393385 /nfs/dbraw/zinc/39/33/85/428393385.db2.gz ROSXIQPVKSZWPT-KBPBESRZSA-N 2 1 308.388 2.685 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414747751 428393514 /nfs/dbraw/zinc/39/35/14/428393514.db2.gz SRJVEXROVMGFDK-NUWOQIAWSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414758386 428394829 /nfs/dbraw/zinc/39/48/29/428394829.db2.gz CKPCSJXBIZXZCC-HZPDHXFCSA-N 2 1 304.482 2.772 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346983821 428395007 /nfs/dbraw/zinc/39/50/07/428395007.db2.gz NSZVNWTZPNOWDB-MJGOQNOKSA-N 3 1 307.526 2.963 20 0 DFADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@@H]1CCC[NH2+]C1 ZINC000346987350 428396405 /nfs/dbraw/zinc/39/64/05/428396405.db2.gz SJJKPNMDFUJLLR-GOSISDBHSA-N 2 1 316.493 2.620 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346995612 428399819 /nfs/dbraw/zinc/39/98/19/428399819.db2.gz BOJXOBFIRPJSKT-GXTWGEPZSA-N 2 1 302.397 2.775 20 0 DFADMP CC(C)Oc1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414774692 428400368 /nfs/dbraw/zinc/40/03/68/428400368.db2.gz FTFUWGXSXVFXGX-QGZVFWFLSA-N 2 1 318.461 2.661 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000414773299 428401452 /nfs/dbraw/zinc/40/14/52/428401452.db2.gz DJFAHNYJJAPXLZ-IAGOWNOFSA-N 2 1 304.482 2.731 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000414774626 428401867 /nfs/dbraw/zinc/40/18/67/428401867.db2.gz FMZVKKUSAIMANY-ZIAGYGMSSA-N 2 1 316.474 2.960 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2F)CC12CCOCC2 ZINC000414780920 428404213 /nfs/dbraw/zinc/40/42/13/428404213.db2.gz MDKNMEKRCFFISA-OYADATRGSA-N 2 1 322.399 2.665 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414777815 428404612 /nfs/dbraw/zinc/40/46/12/428404612.db2.gz IKKQVKTYRKDCFW-OAHLLOKOSA-N 2 1 308.853 2.836 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357138983 428405180 /nfs/dbraw/zinc/40/51/80/428405180.db2.gz XPDVKLFERFHGKR-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357138983 428405185 /nfs/dbraw/zinc/40/51/85/428405185.db2.gz XPDVKLFERFHGKR-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP C[N@H+](Cc1cccc(OCC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347004306 428405875 /nfs/dbraw/zinc/40/58/75/428405875.db2.gz AQZYANWRHRBJEX-UHFFFAOYSA-N 2 1 302.340 2.812 20 0 DFADMP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)C1CC[NH2+]CC1 ZINC000347004306 428405879 /nfs/dbraw/zinc/40/58/79/428405879.db2.gz AQZYANWRHRBJEX-UHFFFAOYSA-N 2 1 302.340 2.812 20 0 DFADMP C[C@H](Cc1ccccc1)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785431 428407518 /nfs/dbraw/zinc/40/75/18/428407518.db2.gz SRCYOHSVIBSTEQ-SJLPKXTDSA-N 2 1 302.462 2.553 20 0 DFADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000414783969 428407750 /nfs/dbraw/zinc/40/77/50/428407750.db2.gz ICPCCXQIWSQVEC-GOSISDBHSA-N 2 1 302.462 2.799 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414789693 428408830 /nfs/dbraw/zinc/40/88/30/428408830.db2.gz YLXLOYLZSJRCFH-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789268 428409744 /nfs/dbraw/zinc/40/97/44/428409744.db2.gz YHKNACVJYJHUHW-DLBZAZTESA-N 2 1 310.445 2.898 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789268 428409751 /nfs/dbraw/zinc/40/97/51/428409751.db2.gz YHKNACVJYJHUHW-DLBZAZTESA-N 2 1 310.445 2.898 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789268 428409753 /nfs/dbraw/zinc/40/97/53/428409753.db2.gz YHKNACVJYJHUHW-DLBZAZTESA-N 2 1 310.445 2.898 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000414789673 428410828 /nfs/dbraw/zinc/41/08/28/428410828.db2.gz YKSSZUSSGNTWQL-HZPDHXFCSA-N 2 1 303.450 2.529 20 0 DFADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CC2)cc1OCCC(C)C ZINC000414796331 428411923 /nfs/dbraw/zinc/41/19/23/428411923.db2.gz HNVWNDYCVUHIGF-MRXNPFEDSA-N 2 1 306.450 2.947 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCCN(CCn2cccn2)CC1 ZINC000371107445 428362130 /nfs/dbraw/zinc/36/21/30/428362130.db2.gz OCQVFEDFLNDUKF-LJQANCHMSA-N 2 1 312.461 2.870 20 0 DFADMP C[N@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000371107445 428362137 /nfs/dbraw/zinc/36/21/37/428362137.db2.gz OCQVFEDFLNDUKF-LJQANCHMSA-N 2 1 312.461 2.870 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000371107445 428362148 /nfs/dbraw/zinc/36/21/48/428362148.db2.gz OCQVFEDFLNDUKF-LJQANCHMSA-N 2 1 312.461 2.870 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC000360604147 428365305 /nfs/dbraw/zinc/36/53/05/428365305.db2.gz IXZZZPBCKXOSKJ-HNNXBMFYSA-N 2 1 306.454 2.510 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC000360604147 428365309 /nfs/dbraw/zinc/36/53/09/428365309.db2.gz IXZZZPBCKXOSKJ-HNNXBMFYSA-N 2 1 306.454 2.510 20 0 DFADMP Cn1ccnc1[C@H]([NH2+]CC1CC[NH+](C)CC1)c1cccc(F)c1 ZINC000357010609 428368067 /nfs/dbraw/zinc/36/80/67/428368067.db2.gz MAKCEQLIALBIEM-QGZVFWFLSA-N 2 1 316.424 2.580 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2cccc(O)c2Br)CC1 ZINC000414666315 428368640 /nfs/dbraw/zinc/36/86/40/428368640.db2.gz GEVGWUJASKDBOU-UHFFFAOYSA-N 2 1 313.239 2.586 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000414663842 428368681 /nfs/dbraw/zinc/36/86/81/428368681.db2.gz RWHZRUUTSQGUIZ-VHSXEESVSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2CC[C@@H]([C@H](C)[NH3+])C2)s1 ZINC000414663842 428368684 /nfs/dbraw/zinc/36/86/84/428368684.db2.gz RWHZRUUTSQGUIZ-VHSXEESVSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414677033 428373939 /nfs/dbraw/zinc/37/39/39/428373939.db2.gz ODPSSLKIAYICIM-GOEBONIOSA-N 2 1 303.450 2.562 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414675777 428374075 /nfs/dbraw/zinc/37/40/75/428374075.db2.gz MMZAUESVNINGBE-IAGOWNOFSA-N 2 1 317.477 2.870 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000342268092 428376808 /nfs/dbraw/zinc/37/68/08/428376808.db2.gz QHDLWTSDHMQNQR-PBHICJAKSA-N 2 1 312.404 2.708 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](CCCO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000414698365 428379399 /nfs/dbraw/zinc/37/93/99/428379399.db2.gz DCHUPUNHLANWJE-HOCLYGCPSA-N 2 1 310.869 2.913 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000357071973 428379718 /nfs/dbraw/zinc/37/97/18/428379718.db2.gz CXMYJQOAZJGWRN-IRXDYDNUSA-N 2 1 300.446 2.856 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1C ZINC000357071973 428379723 /nfs/dbraw/zinc/37/97/23/428379723.db2.gz CXMYJQOAZJGWRN-IRXDYDNUSA-N 2 1 300.446 2.856 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)ccn1 ZINC000357070961 428380765 /nfs/dbraw/zinc/38/07/65/428380765.db2.gz BHDFNYZIFINNEG-OALUTQOASA-N 2 1 323.440 2.702 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)ccn1 ZINC000357070961 428380771 /nfs/dbraw/zinc/38/07/71/428380771.db2.gz BHDFNYZIFINNEG-OALUTQOASA-N 2 1 323.440 2.702 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC000346957806 428384793 /nfs/dbraw/zinc/38/47/93/428384793.db2.gz DQTLDROAAPQHHG-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000414728111 428387300 /nfs/dbraw/zinc/38/73/00/428387300.db2.gz CADXRCGJVLKTDR-JKSUJKDBSA-N 2 1 303.450 2.711 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000414728111 428387305 /nfs/dbraw/zinc/38/73/05/428387305.db2.gz CADXRCGJVLKTDR-JKSUJKDBSA-N 2 1 303.450 2.711 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CCCCC1 ZINC000414848826 428433474 /nfs/dbraw/zinc/43/34/74/428433474.db2.gz WOINPZGKEYYMEP-UHFFFAOYSA-N 2 1 302.447 2.956 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000347077278 428434490 /nfs/dbraw/zinc/43/44/90/428434490.db2.gz VIRLRWRXHBURST-HNNXBMFYSA-N 2 1 316.424 2.670 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)nn(-c3ccc(F)cc3)c2C)C1 ZINC000347077278 428434494 /nfs/dbraw/zinc/43/44/94/428434494.db2.gz VIRLRWRXHBURST-HNNXBMFYSA-N 2 1 316.424 2.670 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078588 428434851 /nfs/dbraw/zinc/43/48/51/428434851.db2.gz WCIZIFZAIXTWNR-UKRRQHHQSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078588 428434853 /nfs/dbraw/zinc/43/48/53/428434853.db2.gz WCIZIFZAIXTWNR-UKRRQHHQSA-N 2 1 302.397 2.571 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1 ZINC000414854647 428435240 /nfs/dbraw/zinc/43/52/40/428435240.db2.gz ZRIMPOWNSFNRHJ-YOEHRIQHSA-N 2 1 303.450 2.869 20 0 DFADMP COc1ccc([C@@H](C)C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414870118 428437531 /nfs/dbraw/zinc/43/75/31/428437531.db2.gz CFAPQAICEJHJBI-INIZCTEOSA-N 2 1 313.445 2.963 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1cc2ccccc2nc1N1CCCCC1 ZINC000414863161 428437753 /nfs/dbraw/zinc/43/77/53/428437753.db2.gz WXSLXPLMWSOYAM-UHFFFAOYSA-N 2 1 312.461 2.924 20 0 DFADMP COc1ccc([C@H](C)C[NH2+]CCC[NH2+]Cc2cccnc2)cc1 ZINC000414870126 428437933 /nfs/dbraw/zinc/43/79/33/428437933.db2.gz CFAPQAICEJHJBI-MRXNPFEDSA-N 2 1 313.445 2.963 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[NH2+]1 ZINC000414949878 428470331 /nfs/dbraw/zinc/47/03/31/428470331.db2.gz NWFRGOKSXUVLPJ-DGCLKSJQSA-N 2 1 302.340 2.858 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104043 428446990 /nfs/dbraw/zinc/44/69/90/428446990.db2.gz KWKIOLLQLDONJM-QWHCGFSZSA-N 2 1 302.447 2.764 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104043 428446995 /nfs/dbraw/zinc/44/69/95/428446995.db2.gz KWKIOLLQLDONJM-QWHCGFSZSA-N 2 1 302.447 2.764 20 0 DFADMP CCc1ccccc1C[N@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000372468519 428449102 /nfs/dbraw/zinc/44/91/02/428449102.db2.gz IFJJIZIKFPYGTA-FQEVSTJZSA-N 2 1 315.505 2.849 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2n[nH]cc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357240509 428450499 /nfs/dbraw/zinc/45/04/99/428450499.db2.gz VHPRAQLQXCBYOH-KVSKMBFKSA-N 2 1 324.472 2.767 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379655313 428451163 /nfs/dbraw/zinc/45/11/63/428451163.db2.gz LLCUFQLWCSCUJD-QZTJIDSGSA-N 2 1 317.477 2.531 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2nc3ccc(Cl)cc3n2C)CC1 ZINC000347112647 428452345 /nfs/dbraw/zinc/45/23/45/428452345.db2.gz REMZEBBYWMGSJD-UHFFFAOYSA-N 2 1 306.841 2.658 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000360824904 428454318 /nfs/dbraw/zinc/45/43/18/428454318.db2.gz KOBQRERZHKSJPP-QZTJIDSGSA-N 2 1 310.445 2.804 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2ccccc2)n1 ZINC000360824904 428454326 /nfs/dbraw/zinc/45/43/26/428454326.db2.gz KOBQRERZHKSJPP-QZTJIDSGSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414923686 428460280 /nfs/dbraw/zinc/46/02/80/428460280.db2.gz FOSPACIQOAGVJH-XJKSGUPXSA-N 2 1 321.440 2.911 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000342805114 428460628 /nfs/dbraw/zinc/46/06/28/428460628.db2.gz DBHWOWBTXLAHGW-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000342805114 428460634 /nfs/dbraw/zinc/46/06/34/428460634.db2.gz DBHWOWBTXLAHGW-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414928172 428461219 /nfs/dbraw/zinc/46/12/19/428461219.db2.gz MPIAIXSJBFSYEG-PANBIXPWSA-N 2 1 313.489 2.770 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000387012479 428462977 /nfs/dbraw/zinc/46/29/77/428462977.db2.gz JKOSQPCWVYBMRB-CVEARBPZSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000387012479 428462984 /nfs/dbraw/zinc/46/29/84/428462984.db2.gz JKOSQPCWVYBMRB-CVEARBPZSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000387012484 428463209 /nfs/dbraw/zinc/46/32/09/428463209.db2.gz JKOSQPCWVYBMRB-HOTGVXAUSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000387012484 428463215 /nfs/dbraw/zinc/46/32/15/428463215.db2.gz JKOSQPCWVYBMRB-HOTGVXAUSA-N 2 1 304.434 2.668 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414932546 428463554 /nfs/dbraw/zinc/46/35/54/428463554.db2.gz CTWXFORYEBWVER-GXFFZTMASA-N 2 1 313.239 2.545 20 0 DFADMP COc1cc2c(c(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347141456 428465740 /nfs/dbraw/zinc/46/57/40/428465740.db2.gz WOVJFESADSXPGA-IHRRRGAJSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c1)O[C@@H](C)C2 ZINC000347141456 428465744 /nfs/dbraw/zinc/46/57/44/428465744.db2.gz WOVJFESADSXPGA-IHRRRGAJSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(SC)cc1OC ZINC000414945685 428466609 /nfs/dbraw/zinc/46/66/09/428466609.db2.gz IQYQIBYOSOUPJN-YPMHNXCESA-N 2 1 310.463 2.656 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414946446 428467034 /nfs/dbraw/zinc/46/70/34/428467034.db2.gz JODYZVGSQPFYMD-KSSFIOAISA-N 2 1 312.461 2.778 20 0 DFADMP CCOc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1OC(F)F ZINC000414949944 428469425 /nfs/dbraw/zinc/46/94/25/428469425.db2.gz OBTKVDILVNYOAZ-DGCLKSJQSA-N 2 1 314.376 2.917 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347035574 428414729 /nfs/dbraw/zinc/41/47/29/428414729.db2.gz DMSKISLTGVJHLQ-YPMHNXCESA-N 2 1 304.463 2.832 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347035574 428414734 /nfs/dbraw/zinc/41/47/34/428414734.db2.gz DMSKISLTGVJHLQ-YPMHNXCESA-N 2 1 304.463 2.832 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414799095 428416019 /nfs/dbraw/zinc/41/60/19/428416019.db2.gz JKUVDTASYLXOCW-VQIMIIECSA-N 2 1 319.468 2.550 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000414797361 428416423 /nfs/dbraw/zinc/41/64/23/428416423.db2.gz IOGOOVZVCRNRTM-DYVFJYSZSA-N 2 1 303.450 2.854 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C[NH3+])C3CC3)cc2)cs1 ZINC000414802396 428416909 /nfs/dbraw/zinc/41/69/09/428416909.db2.gz MUWISEXJBJCWHU-KRWDZBQOSA-N 2 1 317.458 2.857 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414798534 428417158 /nfs/dbraw/zinc/41/71/58/428417158.db2.gz JKUVDTASYLXOCW-APWZRJJASA-N 2 1 319.468 2.550 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414811913 428417606 /nfs/dbraw/zinc/41/76/06/428417606.db2.gz JUFFMVZCWDGYCC-DZGCQCFKSA-N 2 1 307.438 2.519 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000347036027 428417845 /nfs/dbraw/zinc/41/78/45/428417845.db2.gz DZHXDEULGUTGIH-WBVHZDCISA-N 2 1 306.450 2.661 20 0 DFADMP C[NH+](C)C1(CNc2cc[nH+]cc2Cl)Cc2ccccc2C1 ZINC000353176275 428417995 /nfs/dbraw/zinc/41/79/95/428417995.db2.gz VQWLGOJENWDENS-UHFFFAOYSA-N 2 1 301.821 2.668 20 0 DFADMP CCc1noc(C2CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)n1 ZINC000378518061 428419557 /nfs/dbraw/zinc/41/95/57/428419557.db2.gz GVDZMBKMJCMLEM-UHFFFAOYSA-N 2 1 304.438 2.510 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000414813983 428421284 /nfs/dbraw/zinc/42/12/84/428421284.db2.gz NCRUNNVWGYMNIH-GFCCVEGCSA-N 2 1 302.365 2.904 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414825745 428423428 /nfs/dbraw/zinc/42/34/28/428423428.db2.gz UHVJDIXXSMTMJS-WCQYABFASA-N 2 1 310.825 2.604 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414835916 428426583 /nfs/dbraw/zinc/42/65/83/428426583.db2.gz SCQVGLLFDRURJU-QGZVFWFLSA-N 3 1 303.494 2.734 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414835916 428426589 /nfs/dbraw/zinc/42/65/89/428426589.db2.gz SCQVGLLFDRURJU-QGZVFWFLSA-N 2 1 303.494 2.734 20 0 DFADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000347057363 428428733 /nfs/dbraw/zinc/42/87/33/428428733.db2.gz VTKJZJIEQCFWGE-XHDPSFHLSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)CC[C@H]1[NH3+] ZINC000347057363 428428735 /nfs/dbraw/zinc/42/87/35/428428735.db2.gz VTKJZJIEQCFWGE-XHDPSFHLSA-N 2 1 304.825 2.899 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(N2CCCC2)nc1)C1CCCCC1 ZINC000414840889 428430837 /nfs/dbraw/zinc/43/08/37/428430837.db2.gz MSNHUFUSNKODSR-KRWDZBQOSA-N 2 1 302.466 2.679 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)n1 ZINC000414853124 428432815 /nfs/dbraw/zinc/43/28/15/428432815.db2.gz RVRJXOPKTHKCEG-MRXNPFEDSA-N 2 1 322.522 2.918 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000353309720 428479921 /nfs/dbraw/zinc/47/99/21/428479921.db2.gz DOGHFMQNEZDBNS-QUCCMNQESA-N 2 1 314.473 2.936 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000353309720 428479927 /nfs/dbraw/zinc/47/99/27/428479927.db2.gz DOGHFMQNEZDBNS-QUCCMNQESA-N 2 1 314.473 2.936 20 0 DFADMP FC(F)(F)Oc1ccccc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414993152 428482198 /nfs/dbraw/zinc/48/21/98/428482198.db2.gz CEFRVPVBPAQRLH-LLVKDONJSA-N 2 1 324.293 2.920 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000342893360 428482577 /nfs/dbraw/zinc/48/25/77/428482577.db2.gz QWLBHHYRVQHYKQ-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCSCC[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000372676059 428483923 /nfs/dbraw/zinc/48/39/23/428483923.db2.gz PTRQWBDYOPYSKF-UHFFFAOYSA-N 2 1 311.495 2.846 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000347184769 428484810 /nfs/dbraw/zinc/48/48/10/428484810.db2.gz YOCLRZIUMLKPPU-GOSISDBHSA-N 2 1 312.461 2.590 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000347184769 428484816 /nfs/dbraw/zinc/48/48/16/428484816.db2.gz YOCLRZIUMLKPPU-GOSISDBHSA-N 2 1 312.461 2.590 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414998392 428484992 /nfs/dbraw/zinc/48/49/92/428484992.db2.gz IXCASIJJXCFTGF-DZGCQCFKSA-N 2 1 312.404 2.851 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]CCSCc1ccccc1 ZINC000414997977 428485250 /nfs/dbraw/zinc/48/52/50/428485250.db2.gz IIHKZGMSBGBKCI-CQSZACIVSA-N 2 1 300.418 2.754 20 0 DFADMP CC(C)(C)c1nc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cs1 ZINC000414997405 428485710 /nfs/dbraw/zinc/48/57/10/428485710.db2.gz HHHRNAIMDKZEJG-JTQLQIEISA-N 2 1 303.422 2.775 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347186597 428487020 /nfs/dbraw/zinc/48/70/20/428487020.db2.gz BZKARRGQAMMGHG-HOCLYGCPSA-N 2 1 312.417 2.828 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2C[NH2+]CCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000415008012 428489131 /nfs/dbraw/zinc/48/91/31/428489131.db2.gz VLJKWJHOFMYBPG-PVAVHDDUSA-N 2 1 323.431 2.626 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@@H]1CCOC1 ZINC000360912902 428489728 /nfs/dbraw/zinc/48/97/28/428489728.db2.gz NEYPUARHPPJPOA-NEWSRXKRSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)C[C@@H]1CCOC1 ZINC000360912902 428489734 /nfs/dbraw/zinc/48/97/34/428489734.db2.gz NEYPUARHPPJPOA-NEWSRXKRSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)C[C@@H]1CCOC1 ZINC000360912902 428489740 /nfs/dbraw/zinc/48/97/40/428489740.db2.gz NEYPUARHPPJPOA-NEWSRXKRSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)C[C@@H]1CCOC1 ZINC000360912902 428489744 /nfs/dbraw/zinc/48/97/44/428489744.db2.gz NEYPUARHPPJPOA-NEWSRXKRSA-N 2 1 302.462 2.865 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415129408 428531030 /nfs/dbraw/zinc/53/10/30/428531030.db2.gz PJMJXERAFRBDFU-GOEBONIOSA-N 2 1 306.450 2.901 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000415028126 428493052 /nfs/dbraw/zinc/49/30/52/428493052.db2.gz CGQGNQZLJCDPNL-KGEPEWOVSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000415028126 428493056 /nfs/dbraw/zinc/49/30/56/428493056.db2.gz CGQGNQZLJCDPNL-KGEPEWOVSA-N 2 1 313.489 2.899 20 0 DFADMP Fc1ccc(/C=C/C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415132999 428531253 /nfs/dbraw/zinc/53/12/53/428531253.db2.gz BOWJLWXPAVYHRM-MNSDHWDNSA-N 2 1 316.420 2.539 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)c1 ZINC000415037690 428496769 /nfs/dbraw/zinc/49/67/69/428496769.db2.gz HDBHADHTINBRJS-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000360933046 428496829 /nfs/dbraw/zinc/49/68/29/428496829.db2.gz IDNJGWJLJCIGHD-HKUYNNGSSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933046 428496832 /nfs/dbraw/zinc/49/68/32/428496832.db2.gz IDNJGWJLJCIGHD-HKUYNNGSSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933046 428496834 /nfs/dbraw/zinc/49/68/34/428496834.db2.gz IDNJGWJLJCIGHD-HKUYNNGSSA-N 2 1 303.494 2.827 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)[C@@H](C)C1 ZINC000360932122 428497366 /nfs/dbraw/zinc/49/73/66/428497366.db2.gz YOSUTUSVOIKUKG-MHORFTMASA-N 2 1 312.498 2.671 20 0 DFADMP CCc1cccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000372745567 428498205 /nfs/dbraw/zinc/49/82/05/428498205.db2.gz UEZGXQQGDQJGIM-FQEVSTJZSA-N 2 1 315.505 2.708 20 0 DFADMP Cc1cc2cc(C[N@H+](C)C3CCN(CCO)CC3)oc2cc1C ZINC000353358047 428500141 /nfs/dbraw/zinc/50/01/41/428500141.db2.gz WVQVISOOXCZIBL-UHFFFAOYSA-N 2 1 316.445 2.938 20 0 DFADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000396490108 428501014 /nfs/dbraw/zinc/50/10/14/428501014.db2.gz BZOVAFNQCKZGGB-SFHVURJKSA-N 2 1 302.462 2.851 20 0 DFADMP Cc1cc(C)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1C ZINC000415048150 428501115 /nfs/dbraw/zinc/50/11/15/428501115.db2.gz FSHAPYBBQQFHSJ-UHFFFAOYSA-N 2 1 315.505 2.918 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415053655 428501682 /nfs/dbraw/zinc/50/16/82/428501682.db2.gz OZCYIRZPEAMJJY-CRAIPNDOSA-N 2 1 311.429 2.904 20 0 DFADMP COc1cccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1OC ZINC000415053782 428501922 /nfs/dbraw/zinc/50/19/22/428501922.db2.gz PCRZYQWRAYJEOS-GDBMZVCRSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1OC ZINC000415053782 428501926 /nfs/dbraw/zinc/50/19/26/428501926.db2.gz PCRZYQWRAYJEOS-GDBMZVCRSA-N 2 1 304.434 2.668 20 0 DFADMP Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1C ZINC000415055892 428502809 /nfs/dbraw/zinc/50/28/09/428502809.db2.gz PGTKOKVOJZDQLW-UHFFFAOYSA-N 2 1 301.478 2.609 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@]1(C)C[NH3+] ZINC000415057321 428503022 /nfs/dbraw/zinc/50/30/22/428503022.db2.gz RZNHXHWRPXOQOK-SJKOYZFVSA-N 2 1 302.397 2.633 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@]1(C)C[NH3+] ZINC000415056494 428503062 /nfs/dbraw/zinc/50/30/62/428503062.db2.gz QSGSDASIYMXRJG-RDTXWAMCSA-N 2 1 304.482 2.885 20 0 DFADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)[C@H](C)c1ccccc1 ZINC000415055806 428504126 /nfs/dbraw/zinc/50/41/26/428504126.db2.gz OUZQSLARCOYEKK-QREPNTDJSA-N 2 1 315.505 2.985 20 0 DFADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+]CCCc2ccc3c(c2)CCO3)cc1 ZINC000415054620 428504988 /nfs/dbraw/zinc/50/49/88/428504988.db2.gz QEBQRUMKDBIUCI-VQTJNVASSA-N 2 1 322.452 2.899 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397255963 428505627 /nfs/dbraw/zinc/50/56/27/428505627.db2.gz GMMHDHOIJPWBRT-YDHLFZDLSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000397255963 428505632 /nfs/dbraw/zinc/50/56/32/428505632.db2.gz GMMHDHOIJPWBRT-YDHLFZDLSA-N 2 1 322.449 2.518 20 0 DFADMP CCc1cccc(F)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415060685 428506141 /nfs/dbraw/zinc/50/61/41/428506141.db2.gz XHNFIQZWXNPWAF-UHFFFAOYSA-N 2 1 319.468 2.694 20 0 DFADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1C[NH3+] ZINC000397433052 428508863 /nfs/dbraw/zinc/50/88/63/428508863.db2.gz ZUIZOAYWOFHJJW-FRRDWIJNSA-N 2 1 306.841 2.793 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@H]1C[NH3+] ZINC000397433052 428508867 /nfs/dbraw/zinc/50/88/67/428508867.db2.gz ZUIZOAYWOFHJJW-FRRDWIJNSA-N 2 1 306.841 2.793 20 0 DFADMP COc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000415068457 428509241 /nfs/dbraw/zinc/50/92/41/428509241.db2.gz RBJXEBCARVAHSZ-SUMWQHHRSA-N 2 1 319.449 2.519 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000397442234 428510799 /nfs/dbraw/zinc/51/07/99/428510799.db2.gz GFIRWRHMHIDQHP-JTDSTZFVSA-N 2 1 312.461 2.737 20 0 DFADMP CC[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)OC ZINC000397498224 428512379 /nfs/dbraw/zinc/51/23/79/428512379.db2.gz DDZXDJOECFOJPN-GUDVDZBRSA-N 2 1 302.462 2.865 20 0 DFADMP CC[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)OC ZINC000397498224 428512385 /nfs/dbraw/zinc/51/23/85/428512385.db2.gz DDZXDJOECFOJPN-GUDVDZBRSA-N 2 1 302.462 2.865 20 0 DFADMP CC[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)OC ZINC000397498224 428512390 /nfs/dbraw/zinc/51/23/90/428512390.db2.gz DDZXDJOECFOJPN-GUDVDZBRSA-N 2 1 302.462 2.865 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1C ZINC000353386634 428513970 /nfs/dbraw/zinc/51/39/70/428513970.db2.gz MLKQHMXFWDAVIB-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1C ZINC000353386634 428513976 /nfs/dbraw/zinc/51/39/76/428513976.db2.gz MLKQHMXFWDAVIB-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000353386188 428514242 /nfs/dbraw/zinc/51/42/42/428514242.db2.gz LPVFAOHKCFETMI-JQHSSLGASA-N 2 1 306.425 2.935 20 0 DFADMP C[C@@]1(CN[C@@H]2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000398016714 428515262 /nfs/dbraw/zinc/51/52/62/428515262.db2.gz RCOSFLOMLNYRFS-MOPGFXCFSA-N 2 1 301.478 2.773 20 0 DFADMP C[C@@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000398016714 428515267 /nfs/dbraw/zinc/51/52/67/428515267.db2.gz RCOSFLOMLNYRFS-MOPGFXCFSA-N 2 1 301.478 2.773 20 0 DFADMP COc1ccccc1N1CCC([NH2+]CC[NH2+]C(C)(C)C)CC1 ZINC000415088862 428515472 /nfs/dbraw/zinc/51/54/72/428515472.db2.gz VUHYJOVDIHQNMD-UHFFFAOYSA-N 2 1 305.466 2.642 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084365 428518239 /nfs/dbraw/zinc/51/82/39/428518239.db2.gz SXNMURRJYRLERS-DOTOQJQBSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@]1(C)CCC[NH+]1Cc1ccccc1 ZINC000398052115 428518398 /nfs/dbraw/zinc/51/83/98/428518398.db2.gz GHSNASDCFISWEH-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000398052115 428518405 /nfs/dbraw/zinc/51/84/05/428518405.db2.gz GHSNASDCFISWEH-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000398052115 428518410 /nfs/dbraw/zinc/51/84/10/428518410.db2.gz GHSNASDCFISWEH-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398052115 428518415 /nfs/dbraw/zinc/51/84/15/428518415.db2.gz GHSNASDCFISWEH-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@]1(C)CCCN1Cc1ccccc1 ZINC000398052115 428518419 /nfs/dbraw/zinc/51/84/19/428518419.db2.gz GHSNASDCFISWEH-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1 ZINC000415100917 428518461 /nfs/dbraw/zinc/51/84/61/428518461.db2.gz AUJOYUJRZUCUGT-UKRRQHHQSA-N 2 1 314.433 2.502 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000398063653 428518750 /nfs/dbraw/zinc/51/87/50/428518750.db2.gz XCMANEWGDKNIED-APWZRJJASA-N 2 1 301.478 2.629 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000353402449 428520094 /nfs/dbraw/zinc/52/00/94/428520094.db2.gz JACXNCVHVAXUKE-HSALFYBXSA-N 3 1 324.472 2.894 20 0 DFADMP C[C@@]1(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]C1 ZINC000415111168 428525174 /nfs/dbraw/zinc/52/51/74/428525174.db2.gz OMLJKKLJBXPLDM-UONOGXRCSA-N 2 1 320.399 2.667 20 0 DFADMP C[N@H+](Cc1cnc2ccc(Cl)cn12)CC1CC[NH+](C)CC1 ZINC000353423695 428532014 /nfs/dbraw/zinc/53/20/14/428532014.db2.gz RFWIMFMSOQTGBA-UHFFFAOYSA-N 2 1 306.841 2.761 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000415119271 428527650 /nfs/dbraw/zinc/52/76/50/428527650.db2.gz FFCHCQLHRIKUDL-HZPDHXFCSA-N 2 1 323.506 2.985 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)[C@H](C)C1 ZINC000361025601 428529817 /nfs/dbraw/zinc/52/98/17/428529817.db2.gz NLHPXRXFTMBPMY-OQIJWPOYSA-N 2 1 324.509 2.671 20 0 DFADMP CC[C@H](C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415126442 428530179 /nfs/dbraw/zinc/53/01/79/428530179.db2.gz MDKHXFYVQCZCJE-QAPCUYQASA-N 2 1 313.449 2.568 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c(OC(F)F)c1 ZINC000414961807 428474081 /nfs/dbraw/zinc/47/40/81/428474081.db2.gz ZEFQOFLTVJXAAS-PWSUYJOCSA-N 2 1 300.349 2.527 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347165011 428475730 /nfs/dbraw/zinc/47/57/30/428475730.db2.gz JNDWFHLCDBQUJC-GFCCVEGCSA-N 2 1 304.825 2.771 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347165011 428475735 /nfs/dbraw/zinc/47/57/35/428475735.db2.gz JNDWFHLCDBQUJC-GFCCVEGCSA-N 2 1 304.825 2.771 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccccc1F ZINC000391141997 428477154 /nfs/dbraw/zinc/47/71/54/428477154.db2.gz SIPOOOZTSWAMGL-GDBMZVCRSA-N 2 1 319.424 2.618 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)cc1OC ZINC000414977807 428477216 /nfs/dbraw/zinc/47/72/16/428477216.db2.gz RXDWMYIRVWPALO-MRXNPFEDSA-N 2 1 322.449 2.580 20 0 DFADMP CSc1cc2c(cc1C[NH2+][C@H]1CC[NH2+]CC1(C)C)OCCO2 ZINC000414977810 428477493 /nfs/dbraw/zinc/47/74/93/428477493.db2.gz RXMMGBQKZSEQOZ-INIZCTEOSA-N 2 1 322.474 2.657 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)c1 ZINC000360889814 428478227 /nfs/dbraw/zinc/47/82/27/428478227.db2.gz VBZJIILTPPGFJE-AQNXPRMDSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)c1 ZINC000360889814 428478234 /nfs/dbraw/zinc/47/82/34/428478234.db2.gz VBZJIILTPPGFJE-AQNXPRMDSA-N 2 1 314.473 2.769 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441577 428580289 /nfs/dbraw/zinc/58/02/89/428580289.db2.gz PCPAZOPTUVCFJF-NEWSRXKRSA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441577 428580292 /nfs/dbraw/zinc/58/02/92/428580292.db2.gz PCPAZOPTUVCFJF-NEWSRXKRSA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441577 428580296 /nfs/dbraw/zinc/58/02/96/428580296.db2.gz PCPAZOPTUVCFJF-NEWSRXKRSA-N 2 1 304.478 2.785 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccs1 ZINC000361718244 428590383 /nfs/dbraw/zinc/59/03/83/428590383.db2.gz MEFNSMFZCGSMIG-AEGPPILISA-N 2 1 323.506 2.621 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1C[NH3+] ZINC000415130687 428532682 /nfs/dbraw/zinc/53/26/82/428532682.db2.gz RJWVADLIWLGIHF-GXTWGEPZSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@H]1C[NH3+] ZINC000415130687 428532687 /nfs/dbraw/zinc/53/26/87/428532687.db2.gz RJWVADLIWLGIHF-GXTWGEPZSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@@H]1C[NH3+] ZINC000415129310 428533197 /nfs/dbraw/zinc/53/31/97/428533197.db2.gz PEKSFAKZPRKCJT-JSGCOSHPSA-N 2 1 302.397 2.633 20 0 DFADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000415136395 428534174 /nfs/dbraw/zinc/53/41/74/428534174.db2.gz HIGIRUIPYTXUKO-TVFCKZIOSA-N 2 1 306.494 2.903 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@H]21 ZINC000353439350 428536107 /nfs/dbraw/zinc/53/61/07/428536107.db2.gz WRSLWCZLDRNOTQ-SLFFLAALSA-N 2 1 324.472 2.894 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCCSC2)cc1 ZINC000399610993 428540105 /nfs/dbraw/zinc/54/01/05/428540105.db2.gz HIHQFVRHSXGPOV-SOABOVLPSA-N 2 1 302.487 2.992 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CCCSC2)cc1 ZINC000399610993 428540110 /nfs/dbraw/zinc/54/01/10/428540110.db2.gz HIHQFVRHSXGPOV-SOABOVLPSA-N 2 1 302.487 2.992 20 0 DFADMP CCc1nc(NC[C@H]([NH2+][C@H](C)CC)c2ccco2)cc(C)[nH+]1 ZINC000343244603 428540966 /nfs/dbraw/zinc/54/09/66/428540966.db2.gz ATBOJFYLHPETOV-OCCSQVGLSA-N 2 1 302.422 3.482 20 0 DFADMP CCc1nc(NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)cc(C)[nH+]1 ZINC000343244596 428541301 /nfs/dbraw/zinc/54/13/01/428541301.db2.gz ATBOJFYLHPETOV-GXTWGEPZSA-N 2 1 302.422 3.482 20 0 DFADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000400169988 428542556 /nfs/dbraw/zinc/54/25/56/428542556.db2.gz KDHZROAOKIKLHH-IEBWSBKVSA-N 2 1 302.462 2.913 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454989 428544283 /nfs/dbraw/zinc/54/42/83/428544283.db2.gz NBWYLIVALMNSSD-NCXUSEDFSA-N 2 1 319.468 2.891 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454989 428544287 /nfs/dbraw/zinc/54/42/87/428544287.db2.gz NBWYLIVALMNSSD-NCXUSEDFSA-N 2 1 319.468 2.891 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454989 428544290 /nfs/dbraw/zinc/54/42/90/428544290.db2.gz NBWYLIVALMNSSD-NCXUSEDFSA-N 2 1 319.468 2.891 20 0 DFADMP C[N@@H+](CCCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456684 428544343 /nfs/dbraw/zinc/54/43/43/428544343.db2.gz WFTAPSKLBFCPSO-AQNXPRMDSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456684 428544347 /nfs/dbraw/zinc/54/43/47/428544347.db2.gz WFTAPSKLBFCPSO-AQNXPRMDSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353456684 428544352 /nfs/dbraw/zinc/54/43/52/428544352.db2.gz WFTAPSKLBFCPSO-AQNXPRMDSA-N 3 1 315.505 2.971 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454991 428545943 /nfs/dbraw/zinc/54/59/43/428545943.db2.gz NBWYLIVALMNSSD-ZSYWTGECSA-N 2 1 319.468 2.891 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454991 428545949 /nfs/dbraw/zinc/54/59/49/428545949.db2.gz NBWYLIVALMNSSD-ZSYWTGECSA-N 2 1 319.468 2.891 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353454991 428545953 /nfs/dbraw/zinc/54/59/53/428545953.db2.gz NBWYLIVALMNSSD-ZSYWTGECSA-N 2 1 319.468 2.891 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1cccc(F)c1 ZINC000353460270 428548658 /nfs/dbraw/zinc/54/86/58/428548658.db2.gz KQDPKXVKBSSYCX-NCXUSEDFSA-N 2 1 319.468 2.891 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H](N)c2ccccc2)C1 ZINC000353475958 428552977 /nfs/dbraw/zinc/55/29/77/428552977.db2.gz YECJUSSOFNBDHU-MNEFBYGVSA-N 2 1 323.440 2.638 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000353475958 428552987 /nfs/dbraw/zinc/55/29/87/428552987.db2.gz YECJUSSOFNBDHU-MNEFBYGVSA-N 2 1 323.440 2.638 20 0 DFADMP C[C@@H](c1cnccn1)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000373352347 428553772 /nfs/dbraw/zinc/55/37/72/428553772.db2.gz DVHHIXIMXIPERB-LSDHHAIUSA-N 2 1 300.450 2.734 20 0 DFADMP Cc1cncc(CC[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000402708800 428561175 /nfs/dbraw/zinc/56/11/75/428561175.db2.gz RJMJHNKAOUZYTJ-MJGOQNOKSA-N 2 1 324.472 2.828 20 0 DFADMP CC(C)[NH+](C/C=C\C[N@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409249 428566074 /nfs/dbraw/zinc/56/60/74/428566074.db2.gz UIQMLPWCKRSOLS-OSFIAYCASA-N 2 1 310.482 2.541 20 0 DFADMP CC(C)[NH+](C/C=C/C[N@H+](C(C)C)[C@@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409250 428566349 /nfs/dbraw/zinc/56/63/49/428566349.db2.gz UIQMLPWCKRSOLS-PJHKVULZSA-N 2 1 310.482 2.541 20 0 DFADMP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404312082 428566826 /nfs/dbraw/zinc/56/68/26/428566826.db2.gz LYDMWZRGPKOCJW-BZUAXINKSA-N 2 1 317.477 2.624 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@H]1CC[NH3+] ZINC000404317591 428567014 /nfs/dbraw/zinc/56/70/14/428567014.db2.gz PJHWZANOPUSVNP-VSZNYVQBSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@H]1CC[NH3+] ZINC000404317591 428567018 /nfs/dbraw/zinc/56/70/18/428567018.db2.gz PJHWZANOPUSVNP-VSZNYVQBSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000404311290 428567273 /nfs/dbraw/zinc/56/72/73/428567273.db2.gz WPLXBCUCUYVLEB-XJKSGUPXSA-N 2 1 307.413 2.604 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000353498746 428568653 /nfs/dbraw/zinc/56/86/53/428568653.db2.gz BLVMAXFSZVHFNQ-AABGKKOBSA-N 2 1 324.472 2.877 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000404353485 428569173 /nfs/dbraw/zinc/56/91/73/428569173.db2.gz KKHGKCKBSYVHOM-SJLPKXTDSA-N 2 1 317.477 2.877 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])c1ccccc1 ZINC000404353485 428569176 /nfs/dbraw/zinc/56/91/76/428569176.db2.gz KKHGKCKBSYVHOM-SJLPKXTDSA-N 2 1 317.477 2.877 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404372193 428569237 /nfs/dbraw/zinc/56/92/37/428569237.db2.gz JLDXWXJTMOWXEZ-WBVHZDCISA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000404372193 428569240 /nfs/dbraw/zinc/56/92/40/428569240.db2.gz JLDXWXJTMOWXEZ-WBVHZDCISA-N 2 1 303.450 2.691 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404425209 428570053 /nfs/dbraw/zinc/57/00/53/428570053.db2.gz LBXFCAJXDATEAG-ZFWWWQNUSA-N 2 1 322.449 2.662 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404425209 428570054 /nfs/dbraw/zinc/57/00/54/428570054.db2.gz LBXFCAJXDATEAG-ZFWWWQNUSA-N 2 1 322.449 2.662 20 0 DFADMP CC[N@@H+](CC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000357876104 428570756 /nfs/dbraw/zinc/57/07/56/428570756.db2.gz SKJGTSLHCIGHME-HNAYVOBHSA-N 2 1 317.477 2.587 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc(OC)c1OC ZINC000404453833 428571293 /nfs/dbraw/zinc/57/12/93/428571293.db2.gz ZZHFAHSFIPWKDR-DZGCQCFKSA-N 2 1 322.449 2.662 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353515268 428571806 /nfs/dbraw/zinc/57/18/06/428571806.db2.gz DGNLMMDKTKEXMB-YRXWBPOGSA-N 2 1 305.510 2.713 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353515268 428571813 /nfs/dbraw/zinc/57/18/13/428571813.db2.gz DGNLMMDKTKEXMB-YRXWBPOGSA-N 2 1 305.510 2.713 20 0 DFADMP COCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353513128 428572677 /nfs/dbraw/zinc/57/26/77/428572677.db2.gz FBEQMRSVUYKSTK-OTWHNJEPSA-N 2 1 317.477 2.707 20 0 DFADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@@H]31)CCC2 ZINC000353522071 428575490 /nfs/dbraw/zinc/57/54/90/428575490.db2.gz UAWHLLGVVQKFTC-HZMVEIRTSA-N 2 1 302.466 2.531 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000373513862 428596348 /nfs/dbraw/zinc/59/63/48/428596348.db2.gz HHNIFXXBGRXNBI-JYJNAYRXSA-N 2 1 318.465 2.558 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353570859 428600144 /nfs/dbraw/zinc/60/01/44/428600144.db2.gz UAYJGNZKJYGBNB-OAHLLOKOSA-N 2 1 311.514 2.732 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000353570859 428600150 /nfs/dbraw/zinc/60/01/50/428600150.db2.gz UAYJGNZKJYGBNB-OAHLLOKOSA-N 2 1 311.514 2.732 20 0 DFADMP Cc1c[nH+]ccc1N1CCC[N@@H+](Cc2nccn2C(C)C)CC1 ZINC000373551868 428604296 /nfs/dbraw/zinc/60/42/96/428604296.db2.gz MJYAIJJXYONRFT-UHFFFAOYSA-N 2 1 313.449 2.880 20 0 DFADMP Cc1c[nH+]ccc1N1CCC[N@H+](Cc2nccn2C(C)C)CC1 ZINC000373551868 428604302 /nfs/dbraw/zinc/60/43/02/428604302.db2.gz MJYAIJJXYONRFT-UHFFFAOYSA-N 2 1 313.449 2.880 20 0 DFADMP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c(C(C)(C)C)n1 ZINC000362040017 428613619 /nfs/dbraw/zinc/61/36/19/428613619.db2.gz ORMROITWWWZYME-DJIMGWMZSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c(C(C)(C)C)n1 ZINC000362040017 428613625 /nfs/dbraw/zinc/61/36/25/428613625.db2.gz ORMROITWWWZYME-DJIMGWMZSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c(C(C)(C)C)n1 ZINC000362040017 428613630 /nfs/dbraw/zinc/61/36/30/428613630.db2.gz ORMROITWWWZYME-DJIMGWMZSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c(C(C)(C)C)n1 ZINC000362040017 428613635 /nfs/dbraw/zinc/61/36/35/428613635.db2.gz ORMROITWWWZYME-DJIMGWMZSA-N 2 1 316.493 2.634 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415958979 428634554 /nfs/dbraw/zinc/63/45/54/428634554.db2.gz OPIQVNXYCKFDBU-GOSISDBHSA-N 2 1 324.428 2.541 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000415907125 428621929 /nfs/dbraw/zinc/62/19/29/428621929.db2.gz MODOEPYQSURERY-WMLDXEAASA-N 2 1 318.465 2.743 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000415907362 428622043 /nfs/dbraw/zinc/62/20/43/428622043.db2.gz MODOEPYQSURERY-YOEHRIQHSA-N 2 1 318.465 2.743 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000415917228 428626712 /nfs/dbraw/zinc/62/67/12/428626712.db2.gz CJOCKFREMNBATP-MRXNPFEDSA-N 2 1 318.465 2.648 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)c1 ZINC000415924370 428627925 /nfs/dbraw/zinc/62/79/25/428627925.db2.gz WISYBMRZJAHSNO-QGZVFWFLSA-N 2 1 318.465 2.600 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358711936 428636741 /nfs/dbraw/zinc/63/67/41/428636741.db2.gz DSFYQRWAVMORPY-PXNSSMCTSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000358711936 428636744 /nfs/dbraw/zinc/63/67/44/428636744.db2.gz DSFYQRWAVMORPY-PXNSSMCTSA-N 3 1 315.505 2.971 20 0 DFADMP COC[C@@H](Cc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000355785827 274043044 /nfs/dbraw/zinc/04/30/44/274043044.db2.gz LWPWOLFYNLNTGF-GOSISDBHSA-N 2 1 301.434 2.771 20 0 DFADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000355785827 274043046 /nfs/dbraw/zinc/04/30/46/274043046.db2.gz LWPWOLFYNLNTGF-GOSISDBHSA-N 2 1 301.434 2.771 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)[C@@H](C)C1 ZINC000415980131 428639108 /nfs/dbraw/zinc/63/91/08/428639108.db2.gz FWJJWEQBCMMOAS-YOEHRIQHSA-N 2 1 318.465 2.600 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCn2cccn2)CC1)CC(C)C ZINC000358739955 428650573 /nfs/dbraw/zinc/65/05/73/428650573.db2.gz VBHYNRDABJGXNH-UHFFFAOYSA-N 2 1 306.498 2.963 20 0 DFADMP CC[N@H+](CCC1CC[NH+](Cc2nc(C)no2)CC1)CC(C)C ZINC000358741053 428650705 /nfs/dbraw/zinc/65/07/05/428650705.db2.gz ITFRSHOINSOYLU-UHFFFAOYSA-N 2 1 308.470 2.958 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2nc(C)no2)CC1)CC(C)C ZINC000358741053 428650710 /nfs/dbraw/zinc/65/07/10/428650710.db2.gz ITFRSHOINSOYLU-UHFFFAOYSA-N 2 1 308.470 2.958 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000358742470 428651484 /nfs/dbraw/zinc/65/14/84/428651484.db2.gz FFZXFQZODLPBTJ-INIZCTEOSA-N 2 1 311.514 2.543 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348184469 428646468 /nfs/dbraw/zinc/64/64/68/428646468.db2.gz GSGRSMYEERAZHC-QXAKKESOSA-N 2 1 324.472 2.698 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCC[C@@H]2C)CC1 ZINC000362217160 428664682 /nfs/dbraw/zinc/66/46/82/428664682.db2.gz FQAPGUSJBBXVRF-FUHWJXTLSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000362217160 428664683 /nfs/dbraw/zinc/66/46/83/428664683.db2.gz FQAPGUSJBBXVRF-FUHWJXTLSA-N 2 1 321.509 2.725 20 0 DFADMP Oc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000348232241 428667647 /nfs/dbraw/zinc/66/76/47/428667647.db2.gz QKZZEFLJDQGOKJ-OKZBNKHCSA-N 2 1 323.440 2.787 20 0 DFADMP Oc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000348232241 428667655 /nfs/dbraw/zinc/66/76/55/428667655.db2.gz QKZZEFLJDQGOKJ-OKZBNKHCSA-N 2 1 323.440 2.787 20 0 DFADMP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374073903 428661808 /nfs/dbraw/zinc/66/18/08/428661808.db2.gz FYUVQCVRXKCTKT-OAHLLOKOSA-N 2 1 310.482 2.915 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000358757568 428661841 /nfs/dbraw/zinc/66/18/41/428661841.db2.gz XDMDGBAEISAPFO-KXBFYZLASA-N 2 1 321.428 2.997 20 0 DFADMP COc1ccc2c(c1)CC[N@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000374387752 428676471 /nfs/dbraw/zinc/67/64/71/428676471.db2.gz QTDWBTQRBDDRJS-GOSISDBHSA-N 2 1 302.462 2.970 20 0 DFADMP COc1ccc2c(c1)CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000374387752 428676475 /nfs/dbraw/zinc/67/64/75/428676475.db2.gz QTDWBTQRBDDRJS-GOSISDBHSA-N 2 1 302.462 2.970 20 0 DFADMP COc1ccc2c(c1)CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000374387752 428676481 /nfs/dbraw/zinc/67/64/81/428676481.db2.gz QTDWBTQRBDDRJS-GOSISDBHSA-N 2 1 302.462 2.970 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132759371 274339584 /nfs/dbraw/zinc/33/95/84/274339584.db2.gz VKSMLXDIROHMOO-JTDSTZFVSA-N 2 1 301.478 2.974 20 0 DFADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416242214 428697724 /nfs/dbraw/zinc/69/77/24/428697724.db2.gz FHXIWBNUZWEZKP-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000374564669 428697944 /nfs/dbraw/zinc/69/79/44/428697944.db2.gz WFJYNUNHNFBENB-FHLIZLRMSA-N 2 1 306.425 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000374564669 428697948 /nfs/dbraw/zinc/69/79/48/428697948.db2.gz WFJYNUNHNFBENB-FHLIZLRMSA-N 2 1 306.425 2.584 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2cnc([C@H]3CCCO3)s2)CC[N@H+]1C ZINC000353756580 428698416 /nfs/dbraw/zinc/69/84/16/428698416.db2.gz WDZXKVSIAGZQRH-UMVBOHGHSA-N 2 1 309.479 2.909 20 0 DFADMP C[NH+](C)[C@H](CC(=O)NCC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000416253134 428703236 /nfs/dbraw/zinc/70/32/36/428703236.db2.gz QNPAYKVNJTYJBB-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)s2)cn1 ZINC000374587197 428704562 /nfs/dbraw/zinc/70/45/62/428704562.db2.gz RTPWOCRCBOVYKD-LSDHHAIUSA-N 2 1 316.474 2.865 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)s2)cn1 ZINC000374587196 428705277 /nfs/dbraw/zinc/70/52/77/428705277.db2.gz RTPWOCRCBOVYKD-HUUCEWRRSA-N 2 1 316.474 2.865 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000344805171 428707932 /nfs/dbraw/zinc/70/79/32/428707932.db2.gz DKQSDAIRQBOWSJ-HZPDHXFCSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CCC3(CCC[N@H+]3C)CC2)c1 ZINC000374611318 428712276 /nfs/dbraw/zinc/71/22/76/428712276.db2.gz IYSVJXLIIRVFCA-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)c1 ZINC000374611318 428712281 /nfs/dbraw/zinc/71/22/81/428712281.db2.gz IYSVJXLIIRVFCA-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1Cl ZINC000348374811 428723403 /nfs/dbraw/zinc/72/34/03/428723403.db2.gz ACQFYUFBGSHKMM-ZNMIVQPWSA-N 2 1 308.853 2.632 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348374967 428723461 /nfs/dbraw/zinc/72/34/61/428723461.db2.gz GTXKZSZFRLWEMH-MGPQQGTHSA-N 2 1 308.388 2.806 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348374967 428723467 /nfs/dbraw/zinc/72/34/67/428723467.db2.gz GTXKZSZFRLWEMH-MGPQQGTHSA-N 2 1 308.388 2.806 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)[C@@H]2CCC[C@@H]21 ZINC000353806047 428726653 /nfs/dbraw/zinc/72/66/53/428726653.db2.gz PFYZJBQVVJLGED-ORGXJRBJSA-N 2 1 320.502 2.528 20 0 DFADMP Cc1c[nH+]ccc1NC[C@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000358916889 428729608 /nfs/dbraw/zinc/72/96/08/428729608.db2.gz UIIOBICOMZLURW-KRWDZBQOSA-N 2 1 313.470 2.841 20 0 DFADMP C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1n1ccnc1 ZINC000348269665 428687340 /nfs/dbraw/zinc/68/73/40/428687340.db2.gz VIRHPBXPZIOYAE-CRAIPNDOSA-N 2 1 311.429 2.944 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000344643690 428688911 /nfs/dbraw/zinc/68/89/11/428688911.db2.gz NBAOJGVWLPEKEM-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000353749783 428692677 /nfs/dbraw/zinc/69/26/77/428692677.db2.gz MLQRGCZECRRLGM-PBHICJAKSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000353749783 428692695 /nfs/dbraw/zinc/69/26/95/428692695.db2.gz MLQRGCZECRRLGM-PBHICJAKSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)C[C@H]1C ZINC000353749783 428692700 /nfs/dbraw/zinc/69/27/00/428692700.db2.gz MLQRGCZECRRLGM-PBHICJAKSA-N 2 1 304.434 2.778 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000374964194 428792614 /nfs/dbraw/zinc/79/26/14/428792614.db2.gz PIKOGIWCKXBGFI-QRVBRYPASA-N 2 1 307.526 2.913 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471412 428759598 /nfs/dbraw/zinc/75/95/98/428759598.db2.gz RTFPNCSXUYPFJV-RTBURBONSA-N 2 1 313.489 2.855 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471412 428759603 /nfs/dbraw/zinc/75/96/03/428759603.db2.gz RTFPNCSXUYPFJV-RTBURBONSA-N 2 1 313.489 2.855 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471412 428759610 /nfs/dbraw/zinc/75/96/10/428759610.db2.gz RTFPNCSXUYPFJV-RTBURBONSA-N 2 1 313.489 2.855 20 0 DFADMP CCCNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000411227589 428761516 /nfs/dbraw/zinc/76/15/16/428761516.db2.gz VGMRUDDIBKXKSP-GOSISDBHSA-N 2 1 323.525 2.737 20 0 DFADMP CC[C@H]1COCC[NH+]1CCC(C)CC[N@@H+]1CCOC[C@@H]1CC ZINC000411277183 428768658 /nfs/dbraw/zinc/76/86/58/428768658.db2.gz VQRMBMFNEANQMG-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP Cc1nc(CO[C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000374882040 428772676 /nfs/dbraw/zinc/77/26/76/428772676.db2.gz VIQPPOFRBMSJAR-HOTGVXAUSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000374882040 428772684 /nfs/dbraw/zinc/77/26/84/428772684.db2.gz VIQPPOFRBMSJAR-HOTGVXAUSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cs1 ZINC000374882040 428772693 /nfs/dbraw/zinc/77/26/93/428772693.db2.gz VIQPPOFRBMSJAR-HOTGVXAUSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cs1 ZINC000374882040 428772698 /nfs/dbraw/zinc/77/26/98/428772698.db2.gz VIQPPOFRBMSJAR-HOTGVXAUSA-N 2 1 309.479 2.527 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000353951695 428791244 /nfs/dbraw/zinc/79/12/44/428791244.db2.gz QCJHBQRZIXFCSZ-CVEARBPZSA-N 2 1 320.481 2.776 20 0 DFADMP CCC[C@]1(COC)CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348415259 428737345 /nfs/dbraw/zinc/73/73/45/428737345.db2.gz XZNCCZCBNBQPJR-MRXNPFEDSA-N 2 1 311.495 2.986 20 0 DFADMP CCC[C@]1(COC)CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348415259 428737350 /nfs/dbraw/zinc/73/73/50/428737350.db2.gz XZNCCZCBNBQPJR-MRXNPFEDSA-N 2 1 311.495 2.986 20 0 DFADMP C[C@H]([NH2+]CCC1CC(O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348417457 428738870 /nfs/dbraw/zinc/73/88/70/428738870.db2.gz UNHDCQZJXOOJBQ-WEOZKBJRSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000374964192 428792461 /nfs/dbraw/zinc/79/24/61/428792461.db2.gz PIKOGIWCKXBGFI-CEXWTWQISA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H](CC[NH+](C)C[C@@H]1CCCO1)CC[N@@H+](C)C[C@H]1CCCO1 ZINC000411172777 428751586 /nfs/dbraw/zinc/75/15/86/428751586.db2.gz NAIGNAFJLKHERV-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](CC[NH+](C)C[C@H]1CCCO1)CC[N@H+](C)C[C@@H]1CCCO1 ZINC000411172777 428751593 /nfs/dbraw/zinc/75/15/93/428751593.db2.gz NAIGNAFJLKHERV-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](CC[NH+](C)C[C@H]1CCCO1)CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000411172777 428751598 /nfs/dbraw/zinc/75/15/98/428751598.db2.gz NAIGNAFJLKHERV-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000363061078 428851384 /nfs/dbraw/zinc/85/13/84/428851384.db2.gz HRICDOQTOJZHSJ-INIZCTEOSA-N 2 1 317.477 2.668 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)CC2)n1 ZINC000354082996 428853700 /nfs/dbraw/zinc/85/37/00/428853700.db2.gz ASJYPKGONCAOTP-URGYJCLVSA-N 2 1 306.454 2.731 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)CC2)n1 ZINC000354082996 428853704 /nfs/dbraw/zinc/85/37/04/428853704.db2.gz ASJYPKGONCAOTP-URGYJCLVSA-N 2 1 306.454 2.731 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353988197 428805511 /nfs/dbraw/zinc/80/55/11/428805511.db2.gz TZKGMUDQKGCLFN-OAHLLOKOSA-N 2 1 321.431 2.867 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353988197 428805515 /nfs/dbraw/zinc/80/55/15/428805515.db2.gz TZKGMUDQKGCLFN-OAHLLOKOSA-N 2 1 321.431 2.867 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(NC[C@@H](c2ccccc2)[NH+](C)C)n1 ZINC000362806847 428806314 /nfs/dbraw/zinc/80/63/14/428806314.db2.gz OYNDODISYODYCE-KRWDZBQOSA-N 2 1 321.428 3.291 20 0 DFADMP C[C@@H](C[S@](C)=O)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411510914 428808394 /nfs/dbraw/zinc/80/83/94/428808394.db2.gz HLWLTVDTEDQSHR-AOMKIAJQSA-N 2 1 322.518 2.871 20 0 DFADMP C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411510914 428808398 /nfs/dbraw/zinc/80/83/98/428808398.db2.gz HLWLTVDTEDQSHR-AOMKIAJQSA-N 2 1 322.518 2.871 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC(=O)NC(C)(C)C)CCN1Cc1ccccc1 ZINC000359102407 428815884 /nfs/dbraw/zinc/81/58/84/428815884.db2.gz GINYLYPPFAXGRV-NVXWUHKLSA-N 2 1 317.477 2.544 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000375171240 428816238 /nfs/dbraw/zinc/81/62/38/428816238.db2.gz NMCVMRQBPWRWPH-IAGOWNOFSA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000375171240 428816245 /nfs/dbraw/zinc/81/62/45/428816245.db2.gz NMCVMRQBPWRWPH-IAGOWNOFSA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000375171240 428816249 /nfs/dbraw/zinc/81/62/49/428816249.db2.gz NMCVMRQBPWRWPH-IAGOWNOFSA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000375171240 428816255 /nfs/dbraw/zinc/81/62/55/428816255.db2.gz NMCVMRQBPWRWPH-IAGOWNOFSA-N 2 1 321.465 2.757 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC(=O)NC(C)(C)C)CCN1Cc1ccccc1 ZINC000359102411 428817689 /nfs/dbraw/zinc/81/76/89/428817689.db2.gz GINYLYPPFAXGRV-WBVHZDCISA-N 2 1 317.477 2.544 20 0 DFADMP O[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC12CC2 ZINC000411573619 428819271 /nfs/dbraw/zinc/81/92/71/428819271.db2.gz SLDQIXUQCYFYQW-GOSISDBHSA-N 2 1 300.446 2.629 20 0 DFADMP OC1(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CCC1 ZINC000411675625 428839712 /nfs/dbraw/zinc/83/97/12/428839712.db2.gz PCNUIWAFWPPLFE-UHFFFAOYSA-N 2 1 303.450 2.704 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000417047397 428844775 /nfs/dbraw/zinc/84/47/75/428844775.db2.gz QKIWQBCAOPDKAY-YESZJQIVSA-N 2 1 324.513 2.552 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000354095948 428860451 /nfs/dbraw/zinc/86/04/51/428860451.db2.gz GDTHFNYNMQXKNP-SFHVURJKSA-N 2 1 320.477 2.936 20 0 DFADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000354095189 428860508 /nfs/dbraw/zinc/86/05/08/428860508.db2.gz YXNLJOSJYZRIAX-AEFFLSMTSA-N 2 1 323.456 2.744 20 0 DFADMP Cc1cccc2nc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)cn21 ZINC000363118062 428862270 /nfs/dbraw/zinc/86/22/70/428862270.db2.gz QYXWVYWDNIDXSR-KBAYOESNSA-N 2 1 310.445 2.559 20 0 DFADMP c1nn(-c2ccccc2)c2c1C[N@@H+](CCC1CC[NH2+]CC1)CC2 ZINC000359198766 428863177 /nfs/dbraw/zinc/86/31/77/428863177.db2.gz WTVPNEMTUDTLLJ-UHFFFAOYSA-N 2 1 310.445 2.620 20 0 DFADMP C(C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)C1CC[NH2+]CC1 ZINC000359212088 428867737 /nfs/dbraw/zinc/86/77/37/428867737.db2.gz FUWFVVGETWVWME-MRXNPFEDSA-N 2 1 317.481 2.531 20 0 DFADMP C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000359210609 428867827 /nfs/dbraw/zinc/86/78/27/428867827.db2.gz LNCBTMIYMHPODI-SFHVURJKSA-N 2 1 315.505 2.973 20 0 DFADMP Fc1ccc(CN2CCC[N@@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000359210328 428868272 /nfs/dbraw/zinc/86/82/72/428868272.db2.gz BPHQZHAFLPOJLD-UHFFFAOYSA-N 2 1 319.468 2.723 20 0 DFADMP Cn1ccc([C@H](NCCCn2ccnc2)c2ccc(F)cc2)n1 ZINC000359221549 428873305 /nfs/dbraw/zinc/87/33/05/428873305.db2.gz QWENFADPJVSWPU-QGZVFWFLSA-N 2 1 313.380 2.525 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC[C@H]2c2ccncc2)s1 ZINC000348919354 428874366 /nfs/dbraw/zinc/87/43/66/428874366.db2.gz GKFVEIHSHPLJRV-HNNXBMFYSA-N 2 1 302.447 2.937 20 0 DFADMP CC(C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411872841 428874707 /nfs/dbraw/zinc/87/47/07/428874707.db2.gz WLNBASCKUDRDHJ-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000354145663 428884477 /nfs/dbraw/zinc/88/44/77/428884477.db2.gz FKISQAFRDJGZFC-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000354145663 428884482 /nfs/dbraw/zinc/88/44/82/428884482.db2.gz FKISQAFRDJGZFC-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375466409 428891638 /nfs/dbraw/zinc/89/16/38/428891638.db2.gz UJCQKDLZHGNBKW-OAHLLOKOSA-N 2 1 315.421 2.722 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](c2nc(C3CC3)no2)C1 ZINC000375466409 428891643 /nfs/dbraw/zinc/89/16/43/428891643.db2.gz UJCQKDLZHGNBKW-OAHLLOKOSA-N 2 1 315.421 2.722 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418192654 428896944 /nfs/dbraw/zinc/89/69/44/428896944.db2.gz ARQWAAHKXRWJIN-HUUCEWRRSA-N 2 1 320.481 2.626 20 0 DFADMP CC(C)c1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)nc(C(C)C)n1 ZINC000375512533 428902194 /nfs/dbraw/zinc/90/21/94/428902194.db2.gz SAVYGHNBLWUQEW-HNNXBMFYSA-N 2 1 320.481 2.616 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CCC ZINC000349040483 428904329 /nfs/dbraw/zinc/90/43/29/428904329.db2.gz ASCNIEVQWVRNLQ-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC000349040483 428904333 /nfs/dbraw/zinc/90/43/33/428904333.db2.gz ASCNIEVQWVRNLQ-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000349040483 428904336 /nfs/dbraw/zinc/90/43/36/428904336.db2.gz ASCNIEVQWVRNLQ-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000359290100 428904875 /nfs/dbraw/zinc/90/48/75/428904875.db2.gz QTPLRBXZFISGRF-UHFFFAOYSA-N 2 1 311.429 2.996 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000359290100 428904879 /nfs/dbraw/zinc/90/48/79/428904879.db2.gz QTPLRBXZFISGRF-UHFFFAOYSA-N 2 1 311.429 2.996 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1C ZINC000418287864 428912692 /nfs/dbraw/zinc/91/26/92/428912692.db2.gz VFXDZHVTSPRXNZ-JKSUJKDBSA-N 2 1 324.513 2.552 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000349082334 428917337 /nfs/dbraw/zinc/91/73/37/428917337.db2.gz QSRYJKGHQGOWTK-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cnoc2C2CC2)CC1 ZINC000363460039 428921273 /nfs/dbraw/zinc/92/12/73/428921273.db2.gz VZWDDYFACRKJGO-UHFFFAOYSA-N 2 1 300.406 2.740 20 0 DFADMP Cc1nc2ccccn2c1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000349125668 428923778 /nfs/dbraw/zinc/92/37/78/428923778.db2.gz FNPLWFKJHGJIQH-KRWDZBQOSA-N 2 1 312.461 2.806 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119616 428924099 /nfs/dbraw/zinc/92/40/99/428924099.db2.gz QUTTXGZZOWMZOA-ZWKOTPCHSA-N 2 1 323.525 2.734 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000349141975 428926198 /nfs/dbraw/zinc/92/61/98/428926198.db2.gz GOCJXSKXYWGOQH-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCC2=CCCCC2)C[C@H]1C ZINC000354226403 428927320 /nfs/dbraw/zinc/92/73/20/428927320.db2.gz VZTGZGVLUAKXFN-SJLPKXTDSA-N 2 1 321.509 2.798 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCC(F)(F)F ZINC000363521078 428934892 /nfs/dbraw/zinc/93/48/92/428934892.db2.gz AHVWNDPNYZYWIL-MCIONIFRSA-N 2 1 308.388 2.808 20 0 DFADMP CCOC(=O)c1coc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349195592 428936626 /nfs/dbraw/zinc/93/66/26/428936626.db2.gz SUDVMZUIJJZLSO-HNNXBMFYSA-N 2 1 320.433 2.620 20 0 DFADMP CCn1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375674786 428939357 /nfs/dbraw/zinc/93/93/57/428939357.db2.gz JNQMCLLWLCWPKM-SFHVURJKSA-N 2 1 304.482 2.643 20 0 DFADMP CCn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cn1 ZINC000375674786 428939362 /nfs/dbraw/zinc/93/93/62/428939362.db2.gz JNQMCLLWLCWPKM-SFHVURJKSA-N 2 1 304.482 2.643 20 0 DFADMP CC[N@H+]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000359392446 428951377 /nfs/dbraw/zinc/95/13/77/428951377.db2.gz OKJIBELMEXALSF-VDGAXYAQSA-N 2 1 315.505 2.827 20 0 DFADMP CC[N@@H+]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000359392446 428951385 /nfs/dbraw/zinc/95/13/85/428951385.db2.gz OKJIBELMEXALSF-VDGAXYAQSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000359392446 428951392 /nfs/dbraw/zinc/95/13/92/428951392.db2.gz OKJIBELMEXALSF-VDGAXYAQSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000359392446 428951396 /nfs/dbraw/zinc/95/13/96/428951396.db2.gz OKJIBELMEXALSF-VDGAXYAQSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000420298623 428955515 /nfs/dbraw/zinc/95/55/15/428955515.db2.gz SHIGVSZJFVMZDE-ZDUSSCGKSA-N 2 1 316.474 3.446 20 0 DFADMP O[C@@H](CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1)C(F)(F)F ZINC000349296323 428957590 /nfs/dbraw/zinc/95/75/90/428957590.db2.gz LTLMLAYVLAFYSZ-HNNXBMFYSA-N 2 1 316.367 2.554 20 0 DFADMP COC(=O)c1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(F)c1 ZINC000375742376 428959323 /nfs/dbraw/zinc/95/93/23/428959323.db2.gz LJGHXKRHTOYIEJ-XYPWUTKMSA-N 2 1 320.408 2.669 20 0 DFADMP O=C1CC[C@@H]([NH2+]CCC[NH+]2CCCC2)c2cc(F)ccc2N1 ZINC000363678774 428966596 /nfs/dbraw/zinc/96/65/96/428966596.db2.gz UTOQSZMXBKSTDG-OAHLLOKOSA-N 2 1 305.397 2.675 20 0 DFADMP CC[C@H](C(=O)Nc1ccc(C[NH3+])cc1)[N@@H+](C)Cc1ccccc1 ZINC000423548446 428967382 /nfs/dbraw/zinc/96/73/82/428967382.db2.gz RFSQUEHWVAIMDZ-GOSISDBHSA-N 2 1 311.429 2.994 20 0 DFADMP C[C@H]1[C@H](NCCC[NH2+]C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423552407 428970704 /nfs/dbraw/zinc/97/07/04/428970704.db2.gz JWONZBNFKLSAGN-QFBILLFUSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1[C@H]([NH2+]CCC[NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000423552407 428970712 /nfs/dbraw/zinc/97/07/12/428970712.db2.gz JWONZBNFKLSAGN-QFBILLFUSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549124 428970742 /nfs/dbraw/zinc/97/07/42/428970742.db2.gz HJPXQJXZVUXWQX-PXNSSMCTSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1=CC[NH2+]CC1 ZINC000423549124 428970744 /nfs/dbraw/zinc/97/07/44/428970744.db2.gz HJPXQJXZVUXWQX-PXNSSMCTSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000349360864 428970938 /nfs/dbraw/zinc/97/09/38/428970938.db2.gz AYZLCGKHYWZHJV-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000349360864 428970943 /nfs/dbraw/zinc/97/09/43/428970943.db2.gz AYZLCGKHYWZHJV-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1O ZINC000349360864 428970947 /nfs/dbraw/zinc/97/09/47/428970947.db2.gz AYZLCGKHYWZHJV-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1O ZINC000349360864 428970952 /nfs/dbraw/zinc/97/09/52/428970952.db2.gz AYZLCGKHYWZHJV-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000423792297 429020968 /nfs/dbraw/zinc/02/09/68/429020968.db2.gz DFLHPLMFESOYRS-BRWVUGGUSA-N 2 1 309.498 2.521 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CCCC1 ZINC000433343971 429025140 /nfs/dbraw/zinc/02/51/40/429025140.db2.gz PTXQJDSQTOIDIP-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC000433343971 429025147 /nfs/dbraw/zinc/02/51/47/429025147.db2.gz PTXQJDSQTOIDIP-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C1CCCC1 ZINC000433343971 429025152 /nfs/dbraw/zinc/02/51/52/429025152.db2.gz PTXQJDSQTOIDIP-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000433376657 429030212 /nfs/dbraw/zinc/03/02/12/429030212.db2.gz JXSRCANCDIHOFD-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccccn1 ZINC000423554530 428972618 /nfs/dbraw/zinc/97/26/18/428972618.db2.gz HJDCDCAKHWVCNJ-KRWDZBQOSA-N 2 1 324.472 2.726 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000354339639 428975061 /nfs/dbraw/zinc/97/50/61/428975061.db2.gz MZEGPSXQYHTTGS-HZPDHXFCSA-N 2 1 317.481 2.633 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000354339639 428975069 /nfs/dbraw/zinc/97/50/69/428975069.db2.gz MZEGPSXQYHTTGS-HZPDHXFCSA-N 2 1 317.481 2.633 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000354339640 428975405 /nfs/dbraw/zinc/97/54/05/428975405.db2.gz MZEGPSXQYHTTGS-JKSUJKDBSA-N 2 1 317.481 2.633 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(c2cc[nH+]c(N(C)C)n2)C1 ZINC000354339640 428975411 /nfs/dbraw/zinc/97/54/11/428975411.db2.gz MZEGPSXQYHTTGS-JKSUJKDBSA-N 2 1 317.481 2.633 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000375792252 428976836 /nfs/dbraw/zinc/97/68/36/428976836.db2.gz PZQIHUYEQRZUKE-HSALFYBXSA-N 2 1 324.472 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000375792252 428976842 /nfs/dbraw/zinc/97/68/42/428976842.db2.gz PZQIHUYEQRZUKE-HSALFYBXSA-N 2 1 324.472 2.894 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)Nc1cccc(-n2cc[nH+]c2C)n1 ZINC000363721266 428976967 /nfs/dbraw/zinc/97/69/67/428976967.db2.gz JWWXLSKJGSLZLC-HNNXBMFYSA-N 2 1 315.465 3.498 20 0 DFADMP c1[nH]nc2c1CC[C@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000363759745 428984735 /nfs/dbraw/zinc/98/47/35/428984735.db2.gz XJIGFODSCXSXHJ-IBGZPJMESA-N 2 1 324.472 2.564 20 0 DFADMP CC[C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000423673716 428992360 /nfs/dbraw/zinc/99/23/60/428992360.db2.gz AFZBMKXEGICFSL-RCCFBDPRSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433085245 428994545 /nfs/dbraw/zinc/99/45/45/428994545.db2.gz UDMCLXLHUQFCRH-NAODFFGXSA-N 2 1 316.489 2.861 20 0 DFADMP C[C@H]1CN(CC(F)(F)F)CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000451873888 429003096 /nfs/dbraw/zinc/00/30/96/429003096.db2.gz PSXZJPRVBCDNML-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@H]1CN(CC(F)(F)F)CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000451873888 429003099 /nfs/dbraw/zinc/00/30/99/429003099.db2.gz PSXZJPRVBCDNML-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@H]1CN(CC(F)(F)F)CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000451873888 429003103 /nfs/dbraw/zinc/00/31/03/429003103.db2.gz PSXZJPRVBCDNML-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@H]1CN(CC(F)(F)F)CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000451873888 429003106 /nfs/dbraw/zinc/00/31/06/429003106.db2.gz PSXZJPRVBCDNML-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000423725428 429004541 /nfs/dbraw/zinc/00/45/41/429004541.db2.gz IWIMFHYVGLJOMF-KXBFYZLASA-N 2 1 323.440 2.835 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000423725428 429004548 /nfs/dbraw/zinc/00/45/48/429004548.db2.gz IWIMFHYVGLJOMF-KXBFYZLASA-N 2 1 323.440 2.835 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCC2CC[NH2+]CC2)C1 ZINC000423725904 429005581 /nfs/dbraw/zinc/00/55/81/429005581.db2.gz IXBGWEGPKNFLKD-JZXOWHBKSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ncc(Cl)s2)C[C@H](C)O1 ZINC000349567511 429006846 /nfs/dbraw/zinc/00/68/46/429006846.db2.gz XUJGANMVBDDZPG-TXEJJXNPSA-N 2 1 317.886 2.776 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000423760921 429011482 /nfs/dbraw/zinc/01/14/82/429011482.db2.gz OCGWOXCZHIETDQ-DOTOQJQBSA-N 2 1 309.498 2.617 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000423767720 429014282 /nfs/dbraw/zinc/01/42/82/429014282.db2.gz WQEAFKJMISSPMG-GOSISDBHSA-N 2 1 317.477 2.799 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423465303 429093273 /nfs/dbraw/zinc/09/32/73/429093273.db2.gz HPJNPIXTFIQRDO-OQIJWPOYSA-N 3 1 301.478 2.929 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423465303 429093277 /nfs/dbraw/zinc/09/32/77/429093277.db2.gz HPJNPIXTFIQRDO-OQIJWPOYSA-N 3 1 301.478 2.929 20 0 DFADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423479998 429093883 /nfs/dbraw/zinc/09/38/83/429093883.db2.gz VWKOKZNMOKMRSY-OBQKDBCYSA-N 2 1 301.478 2.755 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)[C@@H](C)[C@@H]1OC ZINC000423475413 429094649 /nfs/dbraw/zinc/09/46/49/429094649.db2.gz KJFFYGFQMRXYTB-RQJABVFESA-N 2 1 304.425 2.661 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cccc(Cl)c1 ZINC000423480697 429095293 /nfs/dbraw/zinc/09/52/93/429095293.db2.gz PMYTVGIAPSOXGK-GXTWGEPZSA-N 2 1 318.795 2.862 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507250 429036719 /nfs/dbraw/zinc/03/67/19/429036719.db2.gz AQMFGSQQSOKQKR-CZUORRHYSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000433507250 429036721 /nfs/dbraw/zinc/03/67/21/429036721.db2.gz AQMFGSQQSOKQKR-CZUORRHYSA-N 2 1 323.868 2.548 20 0 DFADMP COC1([C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCC1 ZINC000421840599 429038337 /nfs/dbraw/zinc/03/83/37/429038337.db2.gz ZYUHNMYYONAKJQ-INIZCTEOSA-N 2 1 310.482 2.569 20 0 DFADMP COC1([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCCCC1 ZINC000421859316 429040483 /nfs/dbraw/zinc/04/04/83/429040483.db2.gz SKAXTVVTWXWYEK-DLBZAZTESA-N 2 1 312.498 2.815 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423485867 429096581 /nfs/dbraw/zinc/09/65/81/429096581.db2.gz RZBWLGRFPVWTLJ-CEXWTWQISA-N 3 1 301.478 2.944 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[C@@H]1c1ccccc1 ZINC000423485867 429096585 /nfs/dbraw/zinc/09/65/85/429096585.db2.gz RZBWLGRFPVWTLJ-CEXWTWQISA-N 3 1 301.478 2.944 20 0 DFADMP CO[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000376066572 429051330 /nfs/dbraw/zinc/05/13/30/429051330.db2.gz ICLZLBCFOLQHQY-GVKUHWBJSA-N 2 1 310.482 2.544 20 0 DFADMP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423282369 429055637 /nfs/dbraw/zinc/05/56/37/429055637.db2.gz VVZNPTSRBAMQOV-VNTMZGSJSA-N 2 1 315.505 2.860 20 0 DFADMP CC(C)[C@@H]([NH3+])CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423279491 429055719 /nfs/dbraw/zinc/05/57/19/429055719.db2.gz SBDDLSZTWMPSIV-OKYOBFRVSA-N 2 1 301.478 2.755 20 0 DFADMP CC(C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC(C)(C)C1 ZINC000452100785 429056150 /nfs/dbraw/zinc/05/61/50/429056150.db2.gz FGRIVVBCZTXGET-UHFFFAOYSA-N 2 1 323.525 2.874 20 0 DFADMP CCN(CCCNC(C)(C)C[NH+]1CCCC1)CC(F)(F)F ZINC000452098423 429056551 /nfs/dbraw/zinc/05/65/51/429056551.db2.gz TXUFSYVXVYUSFO-UHFFFAOYSA-N 2 1 309.420 2.725 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423297406 429059527 /nfs/dbraw/zinc/05/95/27/429059527.db2.gz KFJKJQLCUVCHQQ-DOTOQJQBSA-N 2 1 305.466 2.691 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423318088 429062229 /nfs/dbraw/zinc/06/22/29/429062229.db2.gz CAVVNDUQFCTEEH-VQIMIIECSA-N 2 1 312.461 2.972 20 0 DFADMP CCC[NH2+]CC[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423313758 429063056 /nfs/dbraw/zinc/06/30/56/429063056.db2.gz USQTULGQVHXIGW-CYBMUJFWSA-N 2 1 311.267 2.896 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423328279 429064998 /nfs/dbraw/zinc/06/49/98/429064998.db2.gz LXWVVJSWZSQQQB-WBVHZDCISA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423323023 429065262 /nfs/dbraw/zinc/06/52/62/429065262.db2.gz HXMPDYWSISQFGB-LPHOPBHVSA-N 2 1 319.493 2.667 20 0 DFADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CCC1 ZINC000423324110 429066390 /nfs/dbraw/zinc/06/63/90/429066390.db2.gz IIOJJDVUXIVVLZ-OTWHNJEPSA-N 2 1 313.489 2.901 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2O1 ZINC000424129719 429097070 /nfs/dbraw/zinc/09/70/70/429097070.db2.gz GOAWSLLLRSPYBL-UHFFFAOYSA-N 2 1 310.344 2.725 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C1 ZINC000423336099 429067560 /nfs/dbraw/zinc/06/75/60/429067560.db2.gz QIAPZWLRCZUVBG-GMBSWORKSA-N 2 1 313.445 2.609 20 0 DFADMP Fc1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000423339431 429068174 /nfs/dbraw/zinc/06/81/74/429068174.db2.gz ITGYEECEQIJCIO-GOSISDBHSA-N 2 1 315.367 2.959 20 0 DFADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@@]2(C)CCC[NH2+]C2)cc1OC ZINC000423345279 429069373 /nfs/dbraw/zinc/06/93/73/429069373.db2.gz YNTMWWGCWOJWIX-PXAZEXFGSA-N 2 1 310.413 2.883 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423362602 429071753 /nfs/dbraw/zinc/07/17/53/429071753.db2.gz NCTQODJOEKQOAB-LRDDRELGSA-N 2 1 309.404 2.521 20 0 DFADMP C[C@@H]1[C@H](NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000423355329 429072345 /nfs/dbraw/zinc/07/23/45/429072345.db2.gz IAZLEAXBXYLEQV-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423355329 429072349 /nfs/dbraw/zinc/07/23/49/429072349.db2.gz IAZLEAXBXYLEQV-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423352669 429072389 /nfs/dbraw/zinc/07/23/89/429072389.db2.gz AEEFBIAKMZOJGV-PVXIVEMSSA-N 2 1 323.278 2.894 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H](C)[NH3+] ZINC000423357511 429072425 /nfs/dbraw/zinc/07/24/25/429072425.db2.gz IEOKXZRUSDOPHO-ONIAQPFYSA-N 2 1 317.477 2.558 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423362601 429072971 /nfs/dbraw/zinc/07/29/71/429072971.db2.gz NCTQODJOEKQOAB-BLLLJJGKSA-N 2 1 309.404 2.521 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])CC1CCCCC1 ZINC000423369099 429073685 /nfs/dbraw/zinc/07/36/85/429073685.db2.gz SIVRURZWTJKHOL-BFYDXBDKSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423368536 429074513 /nfs/dbraw/zinc/07/45/13/429074513.db2.gz NIBWHGUEKWVCNU-NXWXRZEISA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000423368536 429074517 /nfs/dbraw/zinc/07/45/17/429074517.db2.gz NIBWHGUEKWVCNU-NXWXRZEISA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423368540 429074904 /nfs/dbraw/zinc/07/49/04/429074904.db2.gz NIBWHGUEKWVCNU-QXCFHYIPSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000423368540 429074907 /nfs/dbraw/zinc/07/49/07/429074907.db2.gz NIBWHGUEKWVCNU-QXCFHYIPSA-N 2 1 301.478 2.899 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)c2C1 ZINC000423367536 429075302 /nfs/dbraw/zinc/07/53/02/429075302.db2.gz CQHZBPIDPSZNAV-HIFRSBDPSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+][C@@H]3C)c2C1 ZINC000423367536 429075305 /nfs/dbraw/zinc/07/53/05/429075305.db2.gz CQHZBPIDPSZNAV-HIFRSBDPSA-N 2 1 301.434 2.739 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000423370678 429075476 /nfs/dbraw/zinc/07/54/76/429075476.db2.gz DUCKBAVCGUYBNY-MTEHYEEQSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])CC1CCCCC1 ZINC000423369102 429075624 /nfs/dbraw/zinc/07/56/24/429075624.db2.gz SIVRURZWTJKHOL-VYDXJSESSA-N 2 1 309.498 2.521 20 0 DFADMP C[NH2+][C@@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423381416 429076175 /nfs/dbraw/zinc/07/61/75/429076175.db2.gz FNROGZFVQPVKTA-ZJUUUORDSA-N 2 1 303.219 2.717 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423398730 429081736 /nfs/dbraw/zinc/08/17/36/429081736.db2.gz VIKHUJOUVGAQKS-CAMMJAKZSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423408379 429081808 /nfs/dbraw/zinc/08/18/08/429081808.db2.gz XJZXBPNWRIMWCO-UAOJZALGSA-N 2 1 309.457 2.912 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423398738 429082172 /nfs/dbraw/zinc/08/21/72/429082172.db2.gz VJZJOCVVAYUGNQ-AEEMCCEDSA-N 2 1 313.489 2.912 20 0 DFADMP COC[C@@]1(C[NH2+][C@H](COCc2ccccc2)C(C)C)CCC[NH2+]1 ZINC000423412863 429082730 /nfs/dbraw/zinc/08/27/30/429082730.db2.gz IXEWKGIXBLRKLE-MOPGFXCFSA-N 2 1 320.477 2.586 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423415004 429083542 /nfs/dbraw/zinc/08/35/42/429083542.db2.gz CZHKRDBRMGZBFV-WMLDXEAASA-N 2 1 303.450 2.701 20 0 DFADMP c1ccc2c(c1)CCN[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423421144 429086175 /nfs/dbraw/zinc/08/61/75/429086175.db2.gz JVBYOTVKHHWWJE-VNTMZGSJSA-N 2 1 313.489 2.774 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423446156 429088394 /nfs/dbraw/zinc/08/83/94/429088394.db2.gz SNSXDXSYYWFNBX-HUUCEWRRSA-N 2 1 303.450 2.510 20 0 DFADMP c1cc(C[N@H+](C[C@@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432391 429142820 /nfs/dbraw/zinc/14/28/20/429142820.db2.gz MYKHVPXKLQCWAM-NVXWUHKLSA-N 3 1 319.518 2.692 20 0 DFADMP c1cc(CN(C[C@@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432391 429142828 /nfs/dbraw/zinc/14/28/28/429142828.db2.gz MYKHVPXKLQCWAM-NVXWUHKLSA-N 2 1 319.518 2.692 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000424446936 429143117 /nfs/dbraw/zinc/14/31/17/429143117.db2.gz SZSHJASRFOCSFT-DZGCQCFKSA-N 2 1 318.465 2.696 20 0 DFADMP CC[N@H+](CC(=O)N[C@@H](C)CCCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623025 429152583 /nfs/dbraw/zinc/15/25/83/429152583.db2.gz BFAMIUMREYZWJO-DLBZAZTESA-N 2 1 311.514 2.781 20 0 DFADMP CC[N@@H+](CC(=O)N[C@@H](C)CCCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623025 429152588 /nfs/dbraw/zinc/15/25/88/429152588.db2.gz BFAMIUMREYZWJO-DLBZAZTESA-N 2 1 311.514 2.781 20 0 DFADMP CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000435611927 429153100 /nfs/dbraw/zinc/15/31/00/429153100.db2.gz DDDGXNAPAAUNTB-RCCFBDPRSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000435611927 429153103 /nfs/dbraw/zinc/15/31/03/429153103.db2.gz DDDGXNAPAAUNTB-RCCFBDPRSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000487516388 429157840 /nfs/dbraw/zinc/15/78/40/429157840.db2.gz QFYJPWDZNYNMTL-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)cs1 ZINC000423492768 429098394 /nfs/dbraw/zinc/09/83/94/429098394.db2.gz OOIXBUDHQYINAG-ONGXEEELSA-N 2 1 319.268 2.540 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)cs1 ZINC000423492765 429098638 /nfs/dbraw/zinc/09/86/38/429098638.db2.gz OOIXBUDHQYINAG-GXSJLCMTSA-N 2 1 319.268 2.540 20 0 DFADMP Cc1cccc(N2CCC([NH2+]Cc3cncn3C(C)C)CC2)[nH+]1 ZINC000424145440 429099149 /nfs/dbraw/zinc/09/91/49/429099149.db2.gz NOQCORHHSCYMLH-UHFFFAOYSA-N 2 1 313.449 2.926 20 0 DFADMP CCOC(=O)CC1([NH2+]CCCCn2cc[nH+]c2C)CCCC1 ZINC000434620711 429099757 /nfs/dbraw/zinc/09/97/57/429099757.db2.gz ZCQKPQWASORQGD-UHFFFAOYSA-N 2 1 307.438 2.827 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(N2CCCC2=O)c1 ZINC000423497627 429099927 /nfs/dbraw/zinc/09/99/27/429099927.db2.gz AHQSMJFSCAHICX-RDTXWAMCSA-N 2 1 315.461 2.982 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423497227 429099974 /nfs/dbraw/zinc/09/99/74/429099974.db2.gz GGTHHJKWHXICOJ-DYVFJYSZSA-N 2 1 303.450 2.557 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424147819 429100229 /nfs/dbraw/zinc/10/02/29/429100229.db2.gz SITLIJFUVJLROY-MSOLQXFVSA-N 2 1 323.525 2.865 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423504504 429100645 /nfs/dbraw/zinc/10/06/45/429100645.db2.gz GSTOFNFBVSLKIB-YOEHRIQHSA-N 2 1 303.450 2.535 20 0 DFADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424148323 429100741 /nfs/dbraw/zinc/10/07/41/429100741.db2.gz UGEDLTWALKWSHA-NJAFHUGGSA-N 2 1 321.509 2.759 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505563 429101241 /nfs/dbraw/zinc/10/12/41/429101241.db2.gz HEENHOVCFVAKTQ-HNBVOPMISA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505563 429101244 /nfs/dbraw/zinc/10/12/44/429101244.db2.gz HEENHOVCFVAKTQ-HNBVOPMISA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505563 429101246 /nfs/dbraw/zinc/10/12/46/429101246.db2.gz HEENHOVCFVAKTQ-HNBVOPMISA-N 2 1 315.505 2.814 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423506986 429102864 /nfs/dbraw/zinc/10/28/64/429102864.db2.gz JFJZCKSLHXQYBB-FAFZWHIHSA-N 2 1 317.452 2.619 20 0 DFADMP [NH3+][C@@H](CCC(=O)N1CC[N@H+]2CCCC[C@@H]2C1)CC1CCCCC1 ZINC000424164284 429103084 /nfs/dbraw/zinc/10/30/84/429103084.db2.gz ZGZGHLHQHMYXKY-ZWKOTPCHSA-N 2 1 321.509 2.761 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)cn1 ZINC000423511014 429103900 /nfs/dbraw/zinc/10/39/00/429103900.db2.gz NAYRIHOCRRXOOA-IUDNXUCKSA-N 2 1 322.884 2.602 20 0 DFADMP C[C@@H]1CN([C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515337 429105841 /nfs/dbraw/zinc/10/58/41/429105841.db2.gz VEZRBWUDNWMPGL-XGXHKWSGSA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515337 429105846 /nfs/dbraw/zinc/10/58/46/429105846.db2.gz VEZRBWUDNWMPGL-XGXHKWSGSA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCN(C)[C@H](c3ccccc3)C2)C[C@@]1(C)C[NH3+] ZINC000423515337 429105848 /nfs/dbraw/zinc/10/58/48/429105848.db2.gz VEZRBWUDNWMPGL-XGXHKWSGSA-N 3 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424181394 429107043 /nfs/dbraw/zinc/10/70/43/429107043.db2.gz RBXUDRPQBXXANG-KBAYOESNSA-N 2 1 323.525 2.863 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(F)ccc1F ZINC000423525675 429108307 /nfs/dbraw/zinc/10/83/07/429108307.db2.gz YKNBEDHTBOVANY-IUDNXUCKSA-N 2 1 323.431 2.832 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH+](CC)C2)cc1)C(C)C ZINC000412829708 429108834 /nfs/dbraw/zinc/10/88/34/429108834.db2.gz ABHUXFCMPHOBIE-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@H+](CC)C2)cc1)C(C)C ZINC000412829708 429108839 /nfs/dbraw/zinc/10/88/39/429108839.db2.gz ABHUXFCMPHOBIE-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC)C2)cc1)C(C)C ZINC000412829708 429108844 /nfs/dbraw/zinc/10/88/44/429108844.db2.gz ABHUXFCMPHOBIE-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP Cc1ccc([C@@H]([NH2+]C[C@@H]2C[NH2+]CCN2C)C2CCCC2)cc1 ZINC000423522888 429109436 /nfs/dbraw/zinc/10/94/36/429109436.db2.gz RXGKEHOWSRQVNG-OALUTQOASA-N 2 1 301.478 2.720 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(-c2ccncc2)c1 ZINC000423522764 429109472 /nfs/dbraw/zinc/10/94/72/429109472.db2.gz RPQIYCZNFKKHCW-BEFAXECRSA-N 2 1 311.429 2.778 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424277129 429118236 /nfs/dbraw/zinc/11/82/36/429118236.db2.gz BLZVVAKIUKDVAW-FUHWJXTLSA-N 2 1 319.468 2.532 20 0 DFADMP COc1cccc(OCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424287082 429119150 /nfs/dbraw/zinc/11/91/50/429119150.db2.gz IKHGTRZQSXUORE-HNNXBMFYSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cc(-c3ccco3)on1)CC[NH2+]CC2 ZINC000424292013 429121036 /nfs/dbraw/zinc/12/10/36/429121036.db2.gz NXHPFSDWFAKLEI-CYBMUJFWSA-N 2 1 301.390 2.899 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CCc1ccc3c(c1)CCO3)CC[NH2+]CC2 ZINC000424291226 429121585 /nfs/dbraw/zinc/12/15/85/429121585.db2.gz NGUOKKUWUCOCQE-HNNXBMFYSA-N 2 1 300.446 2.628 20 0 DFADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424332849 429127943 /nfs/dbraw/zinc/12/79/43/429127943.db2.gz VPKNQXMLQXBMRJ-XHSDSOJGSA-N 2 1 312.498 2.920 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000424333231 429127987 /nfs/dbraw/zinc/12/79/87/429127987.db2.gz LWQCVLUXEWQSRJ-ZIAGYGMSSA-N 2 1 302.340 2.987 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000435373660 429133678 /nfs/dbraw/zinc/13/36/78/429133678.db2.gz NWTLVTMBFNOKJE-GJZGRUSLSA-N 2 1 311.429 2.926 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1cccnc1 ZINC000435370804 429134205 /nfs/dbraw/zinc/13/42/05/429134205.db2.gz KDHBKBBRBNGLRI-WBVHZDCISA-N 2 1 311.429 2.830 20 0 DFADMP CCC1(CC)CN(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)C(=O)O1 ZINC000494642713 429135119 /nfs/dbraw/zinc/13/51/19/429135119.db2.gz YXABBAJGCPNGPW-MRXNPFEDSA-N 2 1 323.481 2.619 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376562 429136224 /nfs/dbraw/zinc/13/62/24/429136224.db2.gz RQKKVSFMKWVPAM-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000435380284 429137095 /nfs/dbraw/zinc/13/70/95/429137095.db2.gz NBOIKDUIHIOXHN-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)CC[C@@H]1[NH3+] ZINC000435380284 429137099 /nfs/dbraw/zinc/13/70/99/429137099.db2.gz NBOIKDUIHIOXHN-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000494658922 429140412 /nfs/dbraw/zinc/14/04/12/429140412.db2.gz JXPJXGUJKFSMEW-YJNKXOJESA-N 2 1 313.486 2.751 20 0 DFADMP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000494658922 429140415 /nfs/dbraw/zinc/14/04/15/429140415.db2.gz JXPJXGUJKFSMEW-YJNKXOJESA-N 2 1 313.486 2.751 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)C[N@H+]1C1CC1 ZINC000435749092 429161791 /nfs/dbraw/zinc/16/17/91/429161791.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[NH+]1C1CC1 ZINC000435749092 429161794 /nfs/dbraw/zinc/16/17/94/429161794.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)C[NH+]1C1CC1 ZINC000435749092 429161795 /nfs/dbraw/zinc/16/17/95/429161795.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749092 429161799 /nfs/dbraw/zinc/16/17/99/429161799.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749092 429161802 /nfs/dbraw/zinc/16/18/02/429161802.db2.gz RDDLEQULLCYBKM-MDZRGWNJSA-N 2 1 305.510 2.998 20 0 DFADMP CC1CC[NH+](CC2CC[NH+](CCC[NH+]3CCCC3)CC2)CC1 ZINC000364053382 429163986 /nfs/dbraw/zinc/16/39/86/429163986.db2.gz FFUBORYGXNNKKS-UHFFFAOYSA-N 3 1 307.526 2.916 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C\c2ccncc2)C1 ZINC000494958409 429167712 /nfs/dbraw/zinc/16/77/12/429167712.db2.gz VYTMLMKIWGGUOT-OOFWQKGWSA-N 2 1 303.450 2.528 20 0 DFADMP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261690616 275068952 /nfs/dbraw/zinc/06/89/52/275068952.db2.gz NQAFXMGODVESCY-MRXNPFEDSA-N 2 1 319.452 2.736 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CCNC(=O)OC(C)(C)C)CC1 ZINC000495043647 429173878 /nfs/dbraw/zinc/17/38/78/429173878.db2.gz BTFXGKWBLAXYMS-UHFFFAOYSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H](CC[NH2+][C@H]1CCC(=O)NC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000495077925 429177784 /nfs/dbraw/zinc/17/77/84/429177784.db2.gz GVAZFJYKPRBZKR-RDJZCZTQSA-N 2 1 317.477 2.544 20 0 DFADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000436244188 429192623 /nfs/dbraw/zinc/19/26/23/429192623.db2.gz CEWOIUFTRSNSAL-IXDOHACOSA-N 2 1 323.525 2.828 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)C1 ZINC000436279139 429194032 /nfs/dbraw/zinc/19/40/32/429194032.db2.gz ALONRBXWFYVFIS-MJGOQNOKSA-N 2 1 302.462 2.746 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)C1 ZINC000436279139 429194034 /nfs/dbraw/zinc/19/40/34/429194034.db2.gz ALONRBXWFYVFIS-MJGOQNOKSA-N 2 1 302.462 2.746 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000436293910 429194060 /nfs/dbraw/zinc/19/40/60/429194060.db2.gz WGIIBMPFCYHOJZ-CABCVRRESA-N 2 1 302.447 2.855 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000436293910 429194061 /nfs/dbraw/zinc/19/40/61/429194061.db2.gz WGIIBMPFCYHOJZ-CABCVRRESA-N 2 1 302.447 2.855 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC000364482662 429211917 /nfs/dbraw/zinc/21/19/17/429211917.db2.gz JHLDAPCFUJEMBI-ZIPRAHGXSA-N 2 1 320.452 2.582 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)[C@H](C)C1 ZINC000364482660 429212456 /nfs/dbraw/zinc/21/24/56/429212456.db2.gz JHLDAPCFUJEMBI-SIBREGTBSA-N 2 1 320.452 2.582 20 0 DFADMP C[N@H+]1CCC[C@H](N2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000364542309 429222004 /nfs/dbraw/zinc/22/20/04/429222004.db2.gz GUDNHBVRWZNMLB-KRWDZBQOSA-N 2 1 307.869 2.552 20 0 DFADMP CC[C@H](F)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000440792135 429228444 /nfs/dbraw/zinc/22/84/44/429228444.db2.gz QQDAPLLLSVDBEQ-KRWDZBQOSA-N 2 1 313.505 2.863 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000364591020 429231269 /nfs/dbraw/zinc/23/12/69/429231269.db2.gz LGNVWQGVVKQOBK-QZTJIDSGSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000495393013 429205509 /nfs/dbraw/zinc/20/55/09/429205509.db2.gz JNHODAZMLJYGPQ-UONOGXRCSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000495393013 429205513 /nfs/dbraw/zinc/20/55/13/429205513.db2.gz JNHODAZMLJYGPQ-UONOGXRCSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000495393013 429205517 /nfs/dbraw/zinc/20/55/17/429205517.db2.gz JNHODAZMLJYGPQ-UONOGXRCSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC[NH+]1C ZINC000495393013 429205523 /nfs/dbraw/zinc/20/55/23/429205523.db2.gz JNHODAZMLJYGPQ-UONOGXRCSA-N 2 1 313.486 2.704 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000365251486 429287170 /nfs/dbraw/zinc/28/71/70/429287170.db2.gz XFUWTTLTOAOCMO-GVDBMIGSSA-N 2 1 300.446 2.769 20 0 DFADMP CCn1ccnc1[C@@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000456364240 429288121 /nfs/dbraw/zinc/28/81/21/429288121.db2.gz VDQXCVGSJJVVMV-HUUCEWRRSA-N 2 1 314.433 2.601 20 0 DFADMP CCn1ccnc1[C@@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000456364240 429288124 /nfs/dbraw/zinc/28/81/24/429288124.db2.gz VDQXCVGSJJVVMV-HUUCEWRRSA-N 2 1 314.433 2.601 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442770807 429235580 /nfs/dbraw/zinc/23/55/80/429235580.db2.gz YGRVAKIFHHCVOP-PMPSAXMXSA-N 2 1 303.450 2.608 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442770807 429235583 /nfs/dbraw/zinc/23/55/83/429235583.db2.gz YGRVAKIFHHCVOP-PMPSAXMXSA-N 2 1 303.450 2.608 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)ccc1OC ZINC000442925137 429241058 /nfs/dbraw/zinc/24/10/58/429241058.db2.gz UMXMWZLIOAGCSA-OAHLLOKOSA-N 2 1 306.450 2.793 20 0 DFADMP Cc1cc(N2C[C@@H]3CC[N@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000425275978 429255547 /nfs/dbraw/zinc/25/55/47/429255547.db2.gz OQJHSRQUOPMNDV-ZWKOTPCHSA-N 2 1 308.429 2.804 20 0 DFADMP Cc1cc(N2C[C@@H]3CC[N@@H+](Cc4ccccc4)[C@@H]3C2)nc(C)[nH+]1 ZINC000425275978 429255550 /nfs/dbraw/zinc/25/55/50/429255550.db2.gz OQJHSRQUOPMNDV-ZWKOTPCHSA-N 2 1 308.429 2.804 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000444148062 429265245 /nfs/dbraw/zinc/26/52/45/429265245.db2.gz AKIBOOCLCWNPAN-OAHLLOKOSA-N 2 1 321.440 2.736 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000444148062 429265247 /nfs/dbraw/zinc/26/52/47/429265247.db2.gz AKIBOOCLCWNPAN-OAHLLOKOSA-N 2 1 321.440 2.736 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000444148062 429265248 /nfs/dbraw/zinc/26/52/48/429265248.db2.gz AKIBOOCLCWNPAN-OAHLLOKOSA-N 2 1 321.440 2.736 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc3c(c2)OCCCCO3)C1 ZINC000449091948 429329482 /nfs/dbraw/zinc/32/94/82/429329482.db2.gz RXOZSVVOZUJDBR-INIZCTEOSA-N 2 1 304.434 2.669 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000449111554 429334564 /nfs/dbraw/zinc/33/45/64/429334564.db2.gz MYMXICHOCXWXDH-AEFFLSMTSA-N 2 1 317.477 2.766 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000449111554 429334568 /nfs/dbraw/zinc/33/45/68/429334568.db2.gz MYMXICHOCXWXDH-AEFFLSMTSA-N 2 1 317.477 2.766 20 0 DFADMP CC(C)C[C@@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000504438641 429337146 /nfs/dbraw/zinc/33/71/46/429337146.db2.gz NGIJFWYANWGQJS-PMACEKPBSA-N 2 1 315.505 2.796 20 0 DFADMP FC(F)(F)c1ncc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000365547631 429338776 /nfs/dbraw/zinc/33/87/76/429338776.db2.gz DCDVGHFOSLWFPH-VIFPVBQESA-N 2 1 316.352 2.711 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000365547520 429339298 /nfs/dbraw/zinc/33/92/98/429339298.db2.gz CRKLBLVPCWKFFH-NZSAHSFTSA-N 2 1 324.472 2.556 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000449137611 429341347 /nfs/dbraw/zinc/34/13/47/429341347.db2.gz YOMPFISXATWKQJ-SJORKVTESA-N 2 1 321.509 2.666 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000425425293 429292473 /nfs/dbraw/zinc/29/24/73/429292473.db2.gz YBOLOJINPACHBG-HKUYNNGSSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425293 429292476 /nfs/dbraw/zinc/29/24/76/429292476.db2.gz YBOLOJINPACHBG-HKUYNNGSSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425293 429292480 /nfs/dbraw/zinc/29/24/80/429292480.db2.gz YBOLOJINPACHBG-HKUYNNGSSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1)C1CC1 ZINC000425432741 429295135 /nfs/dbraw/zinc/29/51/35/429295135.db2.gz JFBSHVGRMZUEGP-QAPCUYQASA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)C1CC1 ZINC000425432741 429295139 /nfs/dbraw/zinc/29/51/39/429295139.db2.gz JFBSHVGRMZUEGP-QAPCUYQASA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)C1CC1 ZINC000425432741 429295143 /nfs/dbraw/zinc/29/51/43/429295143.db2.gz JFBSHVGRMZUEGP-QAPCUYQASA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](n2c(C)nc3c2CCCC3)C1)C1CC1 ZINC000425432739 429295497 /nfs/dbraw/zinc/29/54/97/429295497.db2.gz JFBSHVGRMZUEGP-CRAIPNDOSA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)C1CC1 ZINC000425432739 429295502 /nfs/dbraw/zinc/29/55/02/429295502.db2.gz JFBSHVGRMZUEGP-CRAIPNDOSA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1)C1CC1 ZINC000425432739 429295504 /nfs/dbraw/zinc/29/55/04/429295504.db2.gz JFBSHVGRMZUEGP-CRAIPNDOSA-N 2 1 303.450 2.742 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449339135 429391682 /nfs/dbraw/zinc/39/16/82/429391682.db2.gz JKVABXAIDBEGIF-LJQANCHMSA-N 2 1 316.445 2.766 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449337662 429393298 /nfs/dbraw/zinc/39/32/98/429393298.db2.gz QQRXFOGSTLLTFS-VVLHAWIVSA-N 2 1 323.525 2.767 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000457084830 429396390 /nfs/dbraw/zinc/39/63/90/429396390.db2.gz GWFOMZCMFNLKFK-ROUUACIJSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000457084830 429396393 /nfs/dbraw/zinc/39/63/93/429396393.db2.gz GWFOMZCMFNLKFK-ROUUACIJSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000457084830 429396396 /nfs/dbraw/zinc/39/63/96/429396396.db2.gz GWFOMZCMFNLKFK-ROUUACIJSA-N 2 1 321.509 2.725 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@](O)(C2CC2)C1 ZINC000426534678 429399771 /nfs/dbraw/zinc/39/97/71/429399771.db2.gz XKCJWCGNTJXAPU-HXUWFJFHSA-N 2 1 316.489 2.991 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@](O)(C2CC2)C1 ZINC000426534678 429399775 /nfs/dbraw/zinc/39/97/75/429399775.db2.gz XKCJWCGNTJXAPU-HXUWFJFHSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000426534678 429399779 /nfs/dbraw/zinc/39/97/79/429399779.db2.gz XKCJWCGNTJXAPU-HXUWFJFHSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000426534678 429399781 /nfs/dbraw/zinc/39/97/81/429399781.db2.gz XKCJWCGNTJXAPU-HXUWFJFHSA-N 2 1 316.489 2.991 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000426515671 429400516 /nfs/dbraw/zinc/40/05/16/429400516.db2.gz RWDWGHLBKGOKFU-HNNXBMFYSA-N 2 1 308.470 2.633 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000426515671 429400521 /nfs/dbraw/zinc/40/05/21/429400521.db2.gz RWDWGHLBKGOKFU-HNNXBMFYSA-N 2 1 308.470 2.633 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426622114 429404521 /nfs/dbraw/zinc/40/45/21/429404521.db2.gz BSTHGRQTOGXRQF-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CCn1nnc(C)c1C[NH2+][C@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000449179296 429351109 /nfs/dbraw/zinc/35/11/09/429351109.db2.gz VKIHHASTJJMZCP-HOTGVXAUSA-N 2 1 307.486 2.597 20 0 DFADMP C[C@@H]1[C@@H](CO)CC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000425977484 429357364 /nfs/dbraw/zinc/35/73/64/429357364.db2.gz VITZGDRHLBVUHJ-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1[C@@H](CO)CC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000425977484 429357369 /nfs/dbraw/zinc/35/73/69/429357369.db2.gz VITZGDRHLBVUHJ-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1[C@@H](CO)CC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000425977484 429357370 /nfs/dbraw/zinc/35/73/70/429357370.db2.gz VITZGDRHLBVUHJ-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCC1 ZINC000449236042 429362905 /nfs/dbraw/zinc/36/29/05/429362905.db2.gz WMAYLBRQAHZXBT-OALUTQOASA-N 2 1 302.462 2.922 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000513755177 429362938 /nfs/dbraw/zinc/36/29/38/429362938.db2.gz QKBFGXNVIWPZGV-HBFSDRIKSA-N 2 1 313.489 2.902 20 0 DFADMP Cc1cccc(CC[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)c1 ZINC000449231890 429363901 /nfs/dbraw/zinc/36/39/01/429363901.db2.gz GESXJOJHKYUQNI-NRFANRHFSA-N 2 1 324.468 2.894 20 0 DFADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)CCC(F)(F)F ZINC000426079369 429365329 /nfs/dbraw/zinc/36/53/29/429365329.db2.gz PEWKBNCQEIEDPA-ZIAGYGMSSA-N 2 1 309.420 2.581 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449242335 429365362 /nfs/dbraw/zinc/36/53/62/429365362.db2.gz FMUKISWUKSTHAY-PVAVHDDUSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449242335 429365365 /nfs/dbraw/zinc/36/53/65/429365365.db2.gz FMUKISWUKSTHAY-PVAVHDDUSA-N 2 1 308.853 2.632 20 0 DFADMP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365784431 429371838 /nfs/dbraw/zinc/37/18/38/429371838.db2.gz FYOWTSGZIICNSL-QGZVFWFLSA-N 2 1 321.509 2.633 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000426296009 429380079 /nfs/dbraw/zinc/38/00/79/429380079.db2.gz PBXAPZNLIQUUDP-MXSMSXNCSA-N 2 1 317.452 2.867 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[NH+]2C2CC2)C1 ZINC000426294279 429380445 /nfs/dbraw/zinc/38/04/45/429380445.db2.gz SWUSWCOQIYRRKQ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000426294279 429380448 /nfs/dbraw/zinc/38/04/48/429380448.db2.gz SWUSWCOQIYRRKQ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCC[N@H+]2C2CC2)C1 ZINC000426294279 429380451 /nfs/dbraw/zinc/38/04/51/429380451.db2.gz SWUSWCOQIYRRKQ-WBVHZDCISA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc2ccoc21 ZINC000449325774 429388199 /nfs/dbraw/zinc/38/81/99/429388199.db2.gz PNAJCHISKAOEDI-UHFFFAOYSA-N 2 1 301.434 2.502 20 0 DFADMP CCC[N@H+](CCc1cccc(C)c1)CCN1CC[NH+](CC)CC1 ZINC000449327241 429389159 /nfs/dbraw/zinc/38/91/59/429389159.db2.gz CBEYIJDAPPLCPM-UHFFFAOYSA-N 2 1 317.521 2.887 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1csc(C)c1 ZINC000449330546 429389479 /nfs/dbraw/zinc/38/94/79/429389479.db2.gz UQHWUPZKNHHBGR-UHFFFAOYSA-N 2 1 309.523 2.906 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427294462 429444254 /nfs/dbraw/zinc/44/42/54/429444254.db2.gz ITZXTSSOFKVFIX-DLBZAZTESA-N 2 1 323.525 2.783 20 0 DFADMP CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](C)O ZINC000449541116 429448616 /nfs/dbraw/zinc/44/86/16/429448616.db2.gz JVQXCXCFCAMZFR-JUFRUHRKSA-N 2 1 302.462 2.931 20 0 DFADMP CC(C)c1nn(C)c(Cl)c1CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366491539 429464969 /nfs/dbraw/zinc/46/49/69/429464969.db2.gz RCHHSWOESJRMOZ-INIZCTEOSA-N 2 1 310.873 2.725 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1)C1CC1 ZINC000457214754 429426696 /nfs/dbraw/zinc/42/66/96/429426696.db2.gz XTPQJGOLDOKVFW-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCC(C)(C)C)C2)CC1 ZINC000449493891 429433435 /nfs/dbraw/zinc/43/34/35/429433435.db2.gz FRUHWYYZIACOJM-GOSISDBHSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCC(C)(C)C)C2)CC1 ZINC000449493891 429433441 /nfs/dbraw/zinc/43/34/41/429433441.db2.gz FRUHWYYZIACOJM-GOSISDBHSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC000449493891 429433446 /nfs/dbraw/zinc/43/34/46/429433446.db2.gz FRUHWYYZIACOJM-GOSISDBHSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000449493891 429433451 /nfs/dbraw/zinc/43/34/51/429433451.db2.gz FRUHWYYZIACOJM-GOSISDBHSA-N 2 1 323.525 2.689 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC1([NH3+])CCCCC1)c1cccc(Cl)c1 ZINC000428496437 429529329 /nfs/dbraw/zinc/52/93/29/429529329.db2.gz PNLZQUDHPPHQGD-HNNXBMFYSA-N 2 1 323.868 2.721 20 0 DFADMP CC(C)c1nn(-c2ccccc2)cc1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359477233 275769276 /nfs/dbraw/zinc/76/92/76/275769276.db2.gz VZZLLKSFLSHNJW-HOTGVXAUSA-N 2 1 310.445 2.647 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428031448 429484767 /nfs/dbraw/zinc/48/47/67/429484767.db2.gz LQVBRPXBHCSFRK-DOMZBBRYSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000428031448 429484772 /nfs/dbraw/zinc/48/47/72/429484772.db2.gz LQVBRPXBHCSFRK-DOMZBBRYSA-N 2 1 314.351 2.768 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000366604130 429486542 /nfs/dbraw/zinc/48/65/42/429486542.db2.gz RXEARFGBGSPKRM-MSOLQXFVSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000366604130 429486546 /nfs/dbraw/zinc/48/65/46/429486546.db2.gz RXEARFGBGSPKRM-MSOLQXFVSA-N 2 1 304.478 2.894 20 0 DFADMP CCCc1csc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000519811223 429489582 /nfs/dbraw/zinc/48/95/82/429489582.db2.gz PLBFYTRPYGHYEP-ZBFHGGJFSA-N 2 1 323.506 2.814 20 0 DFADMP CC[C@H](c1ccccc1F)[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000366682399 429492857 /nfs/dbraw/zinc/49/28/57/429492857.db2.gz QSCGOUZUKUEIIX-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@H](c1ccccc1F)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000366682399 429492859 /nfs/dbraw/zinc/49/28/59/429492859.db2.gz QSCGOUZUKUEIIX-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)CCN1CCc2ccccc21 ZINC000428227844 429501546 /nfs/dbraw/zinc/50/15/46/429501546.db2.gz YBMWQQCWKQKWOV-GOSISDBHSA-N 2 1 301.478 2.855 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)CCN1CCc2ccccc21 ZINC000428227844 429501551 /nfs/dbraw/zinc/50/15/51/429501551.db2.gz YBMWQQCWKQKWOV-GOSISDBHSA-N 2 1 301.478 2.855 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)CCN1CCc2ccccc21 ZINC000428227844 429501556 /nfs/dbraw/zinc/50/15/56/429501556.db2.gz YBMWQQCWKQKWOV-GOSISDBHSA-N 2 1 301.478 2.855 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)CCN1CCc2ccccc21 ZINC000428227844 429501558 /nfs/dbraw/zinc/50/15/58/429501558.db2.gz YBMWQQCWKQKWOV-GOSISDBHSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@H](NCCC[NH+]2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000520428178 429515261 /nfs/dbraw/zinc/51/52/61/429515261.db2.gz MYVCSRDKUCBEDB-PKOBYXMFSA-N 3 1 301.478 2.725 20 0 DFADMP CCc1nc(C)c(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428375818 429516381 /nfs/dbraw/zinc/51/63/81/429516381.db2.gz CYVCVAJQZRUJTE-ZBFHGGJFSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428375818 429516388 /nfs/dbraw/zinc/51/63/88/429516388.db2.gz CYVCVAJQZRUJTE-ZBFHGGJFSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000428375818 429516391 /nfs/dbraw/zinc/51/63/91/429516391.db2.gz CYVCVAJQZRUJTE-ZBFHGGJFSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000428375818 429516397 /nfs/dbraw/zinc/51/63/97/429516397.db2.gz CYVCVAJQZRUJTE-ZBFHGGJFSA-N 2 1 303.450 2.994 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC1 ZINC000449844640 429523173 /nfs/dbraw/zinc/52/31/73/429523173.db2.gz XBUPYLZQIWPHSW-GOSISDBHSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000449844640 429523175 /nfs/dbraw/zinc/52/31/75/429523175.db2.gz XBUPYLZQIWPHSW-GOSISDBHSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000449844640 429523180 /nfs/dbraw/zinc/52/31/80/429523180.db2.gz XBUPYLZQIWPHSW-GOSISDBHSA-N 2 1 321.509 2.726 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]CCC(=O)NC2CCCCC2)c2ccccc21 ZINC000521423811 429551062 /nfs/dbraw/zinc/55/10/62/429551062.db2.gz VWDNOJBJVIBKHR-IRXDYDNUSA-N 2 1 301.434 2.560 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC23CCOCC3)[C@H](C)C1 ZINC000367050964 429565505 /nfs/dbraw/zinc/56/55/05/429565505.db2.gz URNFIMQMWYGVFI-SQNIBIBYSA-N 2 1 324.509 2.672 20 0 DFADMP Cn1cc([C@@H]2CCCC[N@H+]2Cc2ccc(-n3ccnc3)nc2)cn1 ZINC000367080453 429574560 /nfs/dbraw/zinc/57/45/60/429574560.db2.gz LCZQPTDODRVLLY-KRWDZBQOSA-N 2 1 322.416 2.728 20 0 DFADMP Cn1cc([C@@H]2CCCCN2Cc2ccc(-n3ccnc3)nc2)cn1 ZINC000367080453 429574566 /nfs/dbraw/zinc/57/45/66/429574566.db2.gz LCZQPTDODRVLLY-KRWDZBQOSA-N 2 1 322.416 2.728 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000367108140 429579273 /nfs/dbraw/zinc/57/92/73/429579273.db2.gz CIRZHWMVYMXUSN-DLBZAZTESA-N 2 1 319.468 2.846 20 0 DFADMP CCn1nccc1CC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367122184 429583426 /nfs/dbraw/zinc/58/34/26/429583426.db2.gz XVXFUOJGMAXSHL-MRXNPFEDSA-N 2 1 316.493 2.642 20 0 DFADMP Cc1cccc(NC2CC[NH+](C[C@@](C)(O)C(F)(F)F)CC2)[nH+]1 ZINC000366895962 429534608 /nfs/dbraw/zinc/53/46/08/429534608.db2.gz KRYQZDSDCXJWEI-CQSZACIVSA-N 2 1 317.355 2.580 20 0 DFADMP C[C@@H](C(=O)NCC1([NH3+])CCCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000428587354 429534784 /nfs/dbraw/zinc/53/47/84/429534784.db2.gz XOYXDORRLCYAMI-INIZCTEOSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000521030778 429536320 /nfs/dbraw/zinc/53/63/20/429536320.db2.gz AJROPTXNFSMVAC-RXQRSOPUSA-N 2 1 302.462 2.758 20 0 DFADMP Cc1cc(NC[C@H]2CSCC[N@H+]2Cc2ccccc2)cc[nH+]1 ZINC000428665641 429542740 /nfs/dbraw/zinc/54/27/40/429542740.db2.gz FCXUSBWJYSWGRC-SFHVURJKSA-N 2 1 313.470 2.841 20 0 DFADMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366932235 429544036 /nfs/dbraw/zinc/54/40/36/429544036.db2.gz JXLIYHYETJSBHK-HOCLYGCPSA-N 2 1 320.868 2.614 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CC2=CCCCC2)CC1 ZINC000521237254 429545975 /nfs/dbraw/zinc/54/59/75/429545975.db2.gz OVCJBJPQXCDLEP-UHFFFAOYSA-N 2 1 314.433 2.662 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1nccn1C(F)F)CC2)C1CC1 ZINC000367307973 429617125 /nfs/dbraw/zinc/61/71/25/429617125.db2.gz AMVYLRQNPWOZJB-ZDUSSCGKSA-N 2 1 324.419 2.975 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)c1ccc(C[N@@H+](CC)C2CC2)cc1 ZINC000429616064 429623035 /nfs/dbraw/zinc/62/30/35/429623035.db2.gz NHOKRPAZNSFNJC-KRWDZBQOSA-N 2 1 317.477 2.918 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000450438098 429625220 /nfs/dbraw/zinc/62/52/20/429625220.db2.gz JWYDSTRZYDWBSN-NZSAHSFTSA-N 2 1 304.478 2.957 20 0 DFADMP CN(CC[C@@H]1CCCC[NH+]1C)CC[N@H+](C)Cc1ccccc1 ZINC000429701363 429625343 /nfs/dbraw/zinc/62/53/43/429625343.db2.gz VGZNAQSTLXPQCR-IBGZPJMESA-N 2 1 303.494 2.925 20 0 DFADMP CN(CC[C@@H]1CCCC[NH+]1C)CC[N@@H+](C)Cc1ccccc1 ZINC000429701363 429625346 /nfs/dbraw/zinc/62/53/46/429625346.db2.gz VGZNAQSTLXPQCR-IBGZPJMESA-N 2 1 303.494 2.925 20 0 DFADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000367199187 429596495 /nfs/dbraw/zinc/59/64/95/429596495.db2.gz INGQDDDIFJUGPX-QGZVFWFLSA-N 2 1 323.525 2.879 20 0 DFADMP CN(CC(=O)NCCC1CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367210652 429596964 /nfs/dbraw/zinc/59/69/64/429596964.db2.gz GUOXEDVNYZQRHS-JWTNVVGKSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000429352041 429601885 /nfs/dbraw/zinc/60/18/85/429601885.db2.gz HIDBKIVRAOWQAK-CRAIPNDOSA-N 2 1 317.477 2.531 20 0 DFADMP OC[C@H]1C[N@@H+](CCC[NH+]2CCCC2)CC[C@H]1c1ccccc1 ZINC000367243236 429602623 /nfs/dbraw/zinc/60/26/23/429602623.db2.gz IOSMIPXUQWIHPV-MOPGFXCFSA-N 2 1 302.462 2.570 20 0 DFADMP COC1(C[C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCC1 ZINC000429402013 429607774 /nfs/dbraw/zinc/60/77/74/429607774.db2.gz HWGROQISZXWJJE-ZACQAIPSSA-N 2 1 312.498 2.813 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000367517922 429664720 /nfs/dbraw/zinc/66/47/20/429664720.db2.gz FILBQPNWYKPMAG-QYZOEREBSA-N 2 1 310.445 2.835 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CC[C@@H](O)c2ccccc2)CC1 ZINC000367543841 429667531 /nfs/dbraw/zinc/66/75/31/429667531.db2.gz GKTBNJIRIVXTGB-GOSISDBHSA-N 2 1 313.445 2.798 20 0 DFADMP C[C@@H]1C[N@@H+](CC23CCC(CC2)C3)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450640751 429668346 /nfs/dbraw/zinc/66/83/46/429668346.db2.gz GWNDGZJZCGJRLT-TXQGORRRSA-N 2 1 305.510 2.525 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124615 429653903 /nfs/dbraw/zinc/65/39/03/429653903.db2.gz ASHAKJLOYSCAFJ-IBGZPJMESA-N 2 1 300.446 2.928 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124615 429653905 /nfs/dbraw/zinc/65/39/05/429653905.db2.gz ASHAKJLOYSCAFJ-IBGZPJMESA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124615 429653908 /nfs/dbraw/zinc/65/39/08/429653908.db2.gz ASHAKJLOYSCAFJ-IBGZPJMESA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124615 429653910 /nfs/dbraw/zinc/65/39/10/429653910.db2.gz ASHAKJLOYSCAFJ-IBGZPJMESA-N 2 1 300.446 2.928 20 0 DFADMP CCN(C(=O)CCC[NH2+]C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453899 276060433 /nfs/dbraw/zinc/06/04/33/276060433.db2.gz NCBYYDWSATZBEX-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182424032 276106420 /nfs/dbraw/zinc/10/64/20/276106420.db2.gz UEKCUZNVJXIUKL-RBUKOAKNSA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248597809 276109614 /nfs/dbraw/zinc/10/96/14/276109614.db2.gz UEKCUZNVJXIUKL-MOPGFXCFSA-N 2 1 304.478 2.644 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000111039368 276158966 /nfs/dbraw/zinc/15/89/66/276158966.db2.gz QJPJQZVDPCKGCZ-KRWDZBQOSA-N 2 1 309.498 2.633 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000177026184 276198631 /nfs/dbraw/zinc/19/86/31/276198631.db2.gz XJNNYXLWTGPBCF-IEBWSBKVSA-N 2 1 317.452 2.525 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430541447 429689529 /nfs/dbraw/zinc/68/95/29/429689529.db2.gz ISSMXOYGEZFUGB-JQHSSLGASA-N 2 1 317.477 2.655 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430541447 429689534 /nfs/dbraw/zinc/68/95/34/429689534.db2.gz ISSMXOYGEZFUGB-JQHSSLGASA-N 2 1 317.477 2.655 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCC(C)CC3)O2)[C@@H](C)C1 ZINC000245558919 276229185 /nfs/dbraw/zinc/22/91/85/276229185.db2.gz HIYPJTFJUOXKLO-RGUZKJPTSA-N 2 1 310.482 2.628 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)[C@@H](C)C1 ZINC000358311918 276231517 /nfs/dbraw/zinc/23/15/17/276231517.db2.gz ABEVENBTTSHEOB-JYJNAYRXSA-N 2 1 312.523 2.751 20 0 DFADMP C[C@@H](O)CCC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000450740318 429690082 /nfs/dbraw/zinc/69/00/82/429690082.db2.gz UTHOJYXSBIZTFK-NTDBWNAOSA-N 2 1 304.478 2.894 20 0 DFADMP CC[N@H+]1C[C@H](NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[C@@H](C)C1 ZINC000358343217 276253023 /nfs/dbraw/zinc/25/30/23/276253023.db2.gz GLYWEVOFTMTVFL-FCEWJHQRSA-N 2 1 316.493 2.537 20 0 DFADMP CC[N@@H+]1C[C@H](NC2CC[NH+]([C@H](C)c3ccncc3)CC2)[C@@H](C)C1 ZINC000358343217 276253024 /nfs/dbraw/zinc/25/30/24/276253024.db2.gz GLYWEVOFTMTVFL-FCEWJHQRSA-N 2 1 316.493 2.537 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430579272 429695353 /nfs/dbraw/zinc/69/53/53/429695353.db2.gz YJPYPELGLQXHNX-OAHLLOKOSA-N 2 1 309.429 2.768 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430585172 429695527 /nfs/dbraw/zinc/69/55/27/429695527.db2.gz PXJIIQSPCYLGOU-QAPCUYQASA-N 2 1 317.477 2.632 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000430585172 429695531 /nfs/dbraw/zinc/69/55/31/429695531.db2.gz PXJIIQSPCYLGOU-QAPCUYQASA-N 2 1 317.477 2.632 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583780 429696115 /nfs/dbraw/zinc/69/61/15/429696115.db2.gz TUJBPACJEXHYON-GDBMZVCRSA-N 2 1 314.433 2.728 20 0 DFADMP C[C@](C[NH3+])([NH2+]CCc1nc(-c2cccc(Cl)c2)no1)C1CC1 ZINC000430580989 429697274 /nfs/dbraw/zinc/69/72/74/429697274.db2.gz IJVOMOTUWHXSFV-MRXNPFEDSA-N 2 1 320.824 2.650 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000430607321 429701176 /nfs/dbraw/zinc/70/11/76/429701176.db2.gz YGBVLATVSKHNFG-ROUUACIJSA-N 2 1 317.477 2.766 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000430607321 429701178 /nfs/dbraw/zinc/70/11/78/429701178.db2.gz YGBVLATVSKHNFG-ROUUACIJSA-N 2 1 317.477 2.766 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430613433 429702035 /nfs/dbraw/zinc/70/20/35/429702035.db2.gz VMLHPZIHWMPXLR-ZFWWWQNUSA-N 2 1 321.490 2.939 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430613433 429702040 /nfs/dbraw/zinc/70/20/40/429702040.db2.gz VMLHPZIHWMPXLR-ZFWWWQNUSA-N 2 1 321.490 2.939 20 0 DFADMP Cc1cc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)ccc1F ZINC000367724144 429707169 /nfs/dbraw/zinc/70/71/69/429707169.db2.gz WBIMGPFAPPJPQD-SFHVURJKSA-N 2 1 319.468 2.594 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000430683184 429709496 /nfs/dbraw/zinc/70/94/96/429709496.db2.gz JNGIZTZAVJQEGV-DLBZAZTESA-N 2 1 309.498 2.665 20 0 DFADMP CC(C)([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000430721362 429712962 /nfs/dbraw/zinc/71/29/62/429712962.db2.gz BZASOQWTCKHNCW-HNNXBMFYSA-N 2 1 323.868 2.548 20 0 DFADMP CC(C)([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000430721362 429712965 /nfs/dbraw/zinc/71/29/65/429712965.db2.gz BZASOQWTCKHNCW-HNNXBMFYSA-N 2 1 323.868 2.548 20 0 DFADMP C([NH+]1CCC[C@@H]1C1CC1)C1(C[N@H+]2CCC[C@@H]2C2CC2)COC1 ZINC000367794167 429719299 /nfs/dbraw/zinc/71/92/99/429719299.db2.gz KYPPRJKTQGFDON-QZTJIDSGSA-N 2 1 304.478 2.752 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000482892841 429727672 /nfs/dbraw/zinc/72/76/72/429727672.db2.gz YSKGOBHORPZWPJ-NZSAHSFTSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000482892841 429727676 /nfs/dbraw/zinc/72/76/76/429727676.db2.gz YSKGOBHORPZWPJ-NZSAHSFTSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000482892841 429727681 /nfs/dbraw/zinc/72/76/81/429727681.db2.gz YSKGOBHORPZWPJ-NZSAHSFTSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000430972723 429731338 /nfs/dbraw/zinc/73/13/38/429731338.db2.gz RIQFJUPHGUXJGD-AAEUAGOBSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000430972723 429731342 /nfs/dbraw/zinc/73/13/42/429731342.db2.gz RIQFJUPHGUXJGD-AAEUAGOBSA-N 2 1 302.340 2.753 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@H+]2Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431073882 429739969 /nfs/dbraw/zinc/73/99/69/429739969.db2.gz NIVKASKKKUPGHX-HNNXBMFYSA-N 2 1 314.433 2.779 20 0 DFADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@@H+](C)Cc1ccccc1 ZINC000450980928 429744858 /nfs/dbraw/zinc/74/48/58/429744858.db2.gz HCRCSOWOXNMIBM-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000368136404 429796313 /nfs/dbraw/zinc/79/63/13/429796313.db2.gz UTIIJTATPCMKMT-INIZCTEOSA-N 2 1 318.509 2.881 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000368145571 429796942 /nfs/dbraw/zinc/79/69/42/429796942.db2.gz HBCPTWFNWJFULW-IBGZPJMESA-N 2 1 323.440 2.665 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000368145571 429796944 /nfs/dbraw/zinc/79/69/44/429796944.db2.gz HBCPTWFNWJFULW-IBGZPJMESA-N 2 1 323.440 2.665 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCCOC3)C1)CCCC2 ZINC000432081751 429798389 /nfs/dbraw/zinc/79/83/89/429798389.db2.gz RUOOZVSBIAYYQX-JKSUJKDBSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCCOC3)C1)CCCC2 ZINC000432081751 429798392 /nfs/dbraw/zinc/79/83/92/429798392.db2.gz RUOOZVSBIAYYQX-JKSUJKDBSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCCOC3)C1)CCCC2 ZINC000432081751 429798395 /nfs/dbraw/zinc/79/83/95/429798395.db2.gz RUOOZVSBIAYYQX-JKSUJKDBSA-N 2 1 303.450 2.744 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093045 429799980 /nfs/dbraw/zinc/79/99/80/429799980.db2.gz ZYHGJNSRHMPBLJ-DLBZAZTESA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093045 429799985 /nfs/dbraw/zinc/79/99/85/429799985.db2.gz ZYHGJNSRHMPBLJ-DLBZAZTESA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093045 429799990 /nfs/dbraw/zinc/79/99/90/429799990.db2.gz ZYHGJNSRHMPBLJ-DLBZAZTESA-N 2 1 316.493 2.883 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000527816908 429804940 /nfs/dbraw/zinc/80/49/40/429804940.db2.gz XTOQIYDGQOCGBZ-LXPRWKDFSA-N 2 1 300.446 2.544 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000527816908 429804945 /nfs/dbraw/zinc/80/49/45/429804945.db2.gz XTOQIYDGQOCGBZ-LXPRWKDFSA-N 2 1 300.446 2.544 20 0 DFADMP Cc1cnn(C)c1CN1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955265 429752580 /nfs/dbraw/zinc/75/25/80/429752580.db2.gz BBIWMINIIHEBMT-RTBURBONSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367955265 429752581 /nfs/dbraw/zinc/75/25/81/429752581.db2.gz BBIWMINIIHEBMT-RTBURBONSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367955265 429752587 /nfs/dbraw/zinc/75/25/87/429752587.db2.gz BBIWMINIIHEBMT-RTBURBONSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367955265 429752592 /nfs/dbraw/zinc/75/25/92/429752592.db2.gz BBIWMINIIHEBMT-RTBURBONSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367955265 429752596 /nfs/dbraw/zinc/75/25/96/429752596.db2.gz BBIWMINIIHEBMT-RTBURBONSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cn[nH]c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955197 429753014 /nfs/dbraw/zinc/75/30/14/429753014.db2.gz AEXSSCCQDNPHSP-ZWKOTPCHSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1cn[nH]c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955197 429753018 /nfs/dbraw/zinc/75/30/18/429753018.db2.gz AEXSSCCQDNPHSP-ZWKOTPCHSA-N 2 1 310.445 2.672 20 0 DFADMP C=Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367959018 429754714 /nfs/dbraw/zinc/75/47/14/429754714.db2.gz FONIRTWBCYMFJM-VQTJNVASSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367959018 429754716 /nfs/dbraw/zinc/75/47/16/429754716.db2.gz FONIRTWBCYMFJM-VQTJNVASSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367959018 429754719 /nfs/dbraw/zinc/75/47/19/429754719.db2.gz FONIRTWBCYMFJM-VQTJNVASSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000367959018 429754721 /nfs/dbraw/zinc/75/47/21/429754721.db2.gz FONIRTWBCYMFJM-VQTJNVASSA-N 2 1 322.456 2.938 20 0 DFADMP CCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000451047724 429756405 /nfs/dbraw/zinc/75/64/05/429756405.db2.gz IUTUADUBMJRWGJ-FHWLQOOXSA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000451047724 429756407 /nfs/dbraw/zinc/75/64/07/429756407.db2.gz IUTUADUBMJRWGJ-FHWLQOOXSA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000451047724 429756412 /nfs/dbraw/zinc/75/64/12/429756412.db2.gz IUTUADUBMJRWGJ-FHWLQOOXSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H]1C[C@H]1[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057267 429756946 /nfs/dbraw/zinc/75/69/46/429756946.db2.gz CQVBNHWJIBYGDM-WSTZPKSXSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@H]1C[C@H]1[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057267 429756950 /nfs/dbraw/zinc/75/69/50/429756950.db2.gz CQVBNHWJIBYGDM-WSTZPKSXSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@H]1C[C@H]1[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057267 429756954 /nfs/dbraw/zinc/75/69/54/429756954.db2.gz CQVBNHWJIBYGDM-WSTZPKSXSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@@H]1C[C@@H]1[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057264 429757413 /nfs/dbraw/zinc/75/74/13/429757413.db2.gz CQVBNHWJIBYGDM-GGPKGHCWSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@@H]1C[C@@H]1[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057264 429757417 /nfs/dbraw/zinc/75/74/17/429757417.db2.gz CQVBNHWJIBYGDM-GGPKGHCWSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@@H]1C[C@@H]1[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057264 429757421 /nfs/dbraw/zinc/75/74/21/429757421.db2.gz CQVBNHWJIBYGDM-GGPKGHCWSA-N 2 1 315.505 2.781 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc(C)c1O ZINC000368015609 429766665 /nfs/dbraw/zinc/76/66/65/429766665.db2.gz JFDSJCKZGJCPPP-SQNIBIBYSA-N 2 1 300.446 2.925 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc(C)c1O ZINC000368015609 429766669 /nfs/dbraw/zinc/76/66/69/429766669.db2.gz JFDSJCKZGJCPPP-SQNIBIBYSA-N 2 1 300.446 2.925 20 0 DFADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749390 429781496 /nfs/dbraw/zinc/78/14/96/429781496.db2.gz KVAHYJPDPSOMTO-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749390 429781501 /nfs/dbraw/zinc/78/15/01/429781501.db2.gz KVAHYJPDPSOMTO-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749390 429781504 /nfs/dbraw/zinc/78/15/04/429781504.db2.gz KVAHYJPDPSOMTO-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000431795845 429784517 /nfs/dbraw/zinc/78/45/17/429784517.db2.gz QXRVDBKTZHRSBE-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c(OC)c1 ZINC000368105169 429788731 /nfs/dbraw/zinc/78/87/31/429788731.db2.gz OUCSCUKVGBNOCH-RYUDHWBXSA-N 2 1 301.390 2.635 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1OC ZINC000368103974 429789764 /nfs/dbraw/zinc/78/97/64/429789764.db2.gz ZRCABEXVZQCQKU-QWHCGFSZSA-N 2 1 315.417 2.943 20 0 DFADMP c1cn(CCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130989 429793178 /nfs/dbraw/zinc/79/31/78/429793178.db2.gz IEXDMDBXHOALSG-PMACEKPBSA-N 3 1 324.472 2.727 20 0 DFADMP c1cn(CCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130989 429793180 /nfs/dbraw/zinc/79/31/80/429793180.db2.gz IEXDMDBXHOALSG-PMACEKPBSA-N 3 1 324.472 2.727 20 0 DFADMP c1cn(CCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130989 429793183 /nfs/dbraw/zinc/79/31/83/429793183.db2.gz IEXDMDBXHOALSG-PMACEKPBSA-N 3 1 324.472 2.727 20 0 DFADMP Cc1c[nH]nc1C[NH2+]CC1CC[NH+](Cc2ccccc2F)CC1 ZINC000368259147 429818461 /nfs/dbraw/zinc/81/84/61/429818461.db2.gz ORIVZRAYCYAYDI-UHFFFAOYSA-N 2 1 316.424 2.859 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)OC)c1 ZINC000527919719 429819826 /nfs/dbraw/zinc/81/98/26/429819826.db2.gz JQVYFAOVYUTYKV-NONVJHHQSA-N 2 1 306.450 2.701 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccccc1N(C)C ZINC000432410525 429822686 /nfs/dbraw/zinc/82/26/86/429822686.db2.gz PRFFSKBXGLUMPJ-IRXDYDNUSA-N 2 1 319.493 2.904 20 0 DFADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cnn1C(C)C ZINC000432431239 429823170 /nfs/dbraw/zinc/82/31/70/429823170.db2.gz VTMXWFWEQAKQMR-JKSUJKDBSA-N 2 1 322.497 2.924 20 0 DFADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cnn1C(C)C ZINC000432431239 429823174 /nfs/dbraw/zinc/82/31/74/429823174.db2.gz VTMXWFWEQAKQMR-JKSUJKDBSA-N 2 1 322.497 2.924 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493782040 429829256 /nfs/dbraw/zinc/82/92/56/429829256.db2.gz SGBDYWAWIBXFMG-OAHLLOKOSA-N 2 1 322.453 2.523 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493782040 429829259 /nfs/dbraw/zinc/82/92/59/429829259.db2.gz SGBDYWAWIBXFMG-OAHLLOKOSA-N 2 1 322.453 2.523 20 0 DFADMP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000527998787 429834086 /nfs/dbraw/zinc/83/40/86/429834086.db2.gz ALHWHDHTOIPCCG-QGZVFWFLSA-N 2 1 315.461 2.666 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000432797648 429841844 /nfs/dbraw/zinc/84/18/44/429841844.db2.gz MIMQXAPHVAKLFC-INIZCTEOSA-N 2 1 306.450 2.928 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1OC ZINC000432797648 429841849 /nfs/dbraw/zinc/84/18/49/429841849.db2.gz MIMQXAPHVAKLFC-INIZCTEOSA-N 2 1 306.450 2.928 20 0 DFADMP Cc1ccc2[nH+]ccc(NCCC[N@H+]3CCCO[C@H](C)C3)c2c1 ZINC000432877928 429847928 /nfs/dbraw/zinc/84/79/28/429847928.db2.gz OKTXDBVBPRUIJW-MRXNPFEDSA-N 2 1 313.445 2.878 20 0 DFADMP CC1(C)OCc2cc(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)ccc2O1 ZINC000368501346 429858928 /nfs/dbraw/zinc/85/89/28/429858928.db2.gz HKWIGAZCPHWWFX-OAHLLOKOSA-N 2 1 313.401 2.633 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CC12CC2 ZINC000527843141 429808763 /nfs/dbraw/zinc/80/87/63/429808763.db2.gz AUEBVOIKWLMLIN-MAUKXSAKSA-N 2 1 300.446 2.797 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CC34CC4)CC2)nc(C)[nH+]1 ZINC000527866480 429811413 /nfs/dbraw/zinc/81/14/13/429811413.db2.gz IIPCUHNPNWICMZ-CZUORRHYSA-N 2 1 300.450 2.840 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cccnc3)C2)nc(C)[nH+]1 ZINC000368678589 429886794 /nfs/dbraw/zinc/88/67/94/429886794.db2.gz VDZKVMIACAJCNW-RHSMWYFYSA-N 2 1 311.433 2.808 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1OC(F)F ZINC000368842805 429898226 /nfs/dbraw/zinc/89/82/26/429898226.db2.gz AMZHLWKGBBVPFY-LBPRGKRZSA-N 2 1 323.343 2.598 20 0 DFADMP CC(C)[C@@H]1CN(Cc2cn(C)cn2)CC[N@H+]1Cc1ccccc1 ZINC000528642641 429904297 /nfs/dbraw/zinc/90/42/97/429904297.db2.gz XIJSLLHRSOFGKN-IBGZPJMESA-N 2 1 312.461 2.763 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CCOCC1 ZINC000369140650 429915365 /nfs/dbraw/zinc/91/53/65/429915365.db2.gz UNTRUKVRQDGYGJ-SJLPKXTDSA-N 2 1 302.462 2.913 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CCN(c4[nH]cc[nH+]4)CC3)c2c1 ZINC000296860122 276674164 /nfs/dbraw/zinc/67/41/64/276674164.db2.gz VDPPJTHZGWWQJY-UHFFFAOYSA-N 2 1 307.401 2.847 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccccc3F)C2)nc(C)[nH+]1 ZINC000369263739 429922023 /nfs/dbraw/zinc/92/20/23/429922023.db2.gz FWYPRUFGLVACSH-INIZCTEOSA-N 2 1 314.408 2.991 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000369353290 429927214 /nfs/dbraw/zinc/92/72/14/429927214.db2.gz BXGYTPRHJFDRHS-AZUAARDMSA-N 2 1 313.489 2.776 20 0 DFADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000368578435 429871815 /nfs/dbraw/zinc/87/18/15/429871815.db2.gz NAKJDTGBMUCHLP-IXDOHACOSA-N 2 1 312.498 2.528 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@H]3CCSC3)CC2)nc(C)[nH+]1 ZINC000369485114 429955149 /nfs/dbraw/zinc/95/51/49/429955149.db2.gz PKNXGPNKQGJNPZ-OAHLLOKOSA-N 2 1 320.506 2.747 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[C@H]3CCSC3)CC2)nc(C)[nH+]1 ZINC000369485114 429955154 /nfs/dbraw/zinc/95/51/54/429955154.db2.gz PKNXGPNKQGJNPZ-OAHLLOKOSA-N 2 1 320.506 2.747 20 0 DFADMP CN(c1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1)C1CC1 ZINC000639759001 429971933 /nfs/dbraw/zinc/97/19/33/429971933.db2.gz ZMDVHMUZKSCYCO-UHFFFAOYSA-N 2 1 320.506 2.659 20 0 DFADMP C[NH+]1CCC2(CC[N@H+](Cc3noc(-c4ccccc4)n3)C2)CC1 ZINC000639760069 429972040 /nfs/dbraw/zinc/97/20/40/429972040.db2.gz QPBHXCSIRXUSDY-UHFFFAOYSA-N 2 1 312.417 2.654 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3noc(-c4ccccc4)n3)C2)CC1 ZINC000639760069 429972044 /nfs/dbraw/zinc/97/20/44/429972044.db2.gz QPBHXCSIRXUSDY-UHFFFAOYSA-N 2 1 312.417 2.654 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760421 429972644 /nfs/dbraw/zinc/97/26/44/429972644.db2.gz XIVZFOAQIRWQGT-CYBMUJFWSA-N 2 1 306.454 2.846 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639760421 429972646 /nfs/dbraw/zinc/97/26/46/429972646.db2.gz XIVZFOAQIRWQGT-CYBMUJFWSA-N 2 1 306.454 2.846 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)CC1 ZINC000639758813 429972959 /nfs/dbraw/zinc/97/29/59/429972959.db2.gz WTODNIDQBKWQPD-UHFFFAOYSA-N 2 1 310.445 2.790 20 0 DFADMP CC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)OCCc2ccccc21 ZINC000558500703 429975534 /nfs/dbraw/zinc/97/55/34/429975534.db2.gz JTUSYJUWPVWSFE-KFKAGJAMSA-N 2 1 302.462 2.794 20 0 DFADMP C[C@H](c1ccc(F)cc1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369360927 429930962 /nfs/dbraw/zinc/93/09/62/429930962.db2.gz ZGZLOPWXXXWZGO-QAPCUYQASA-N 2 1 305.441 2.599 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc3c1CCOC3)C2 ZINC000639659837 429937725 /nfs/dbraw/zinc/93/77/25/429937725.db2.gz PRYSUUDHCAJSGC-IBGZPJMESA-N 2 1 300.446 2.677 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc3c1CCOC3)C2 ZINC000639659837 429937730 /nfs/dbraw/zinc/93/77/30/429937730.db2.gz PRYSUUDHCAJSGC-IBGZPJMESA-N 2 1 300.446 2.677 20 0 DFADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000573305630 429943752 /nfs/dbraw/zinc/94/37/52/429943752.db2.gz FGEHQTRSAWNHHF-RWQQGDIJSA-N 3 1 301.478 2.834 20 0 DFADMP O[C@@H](CC1CCCC1)C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639684188 429946919 /nfs/dbraw/zinc/94/69/19/429946919.db2.gz SWAKTKJQVGJLOS-SFHVURJKSA-N 2 1 303.450 2.535 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)CC[N@H+]1C ZINC000369461951 429949439 /nfs/dbraw/zinc/94/94/39/429949439.db2.gz GZGDUMKWJOVZGD-SQNIBIBYSA-N 2 1 301.478 2.975 20 0 DFADMP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(C[NH3+])no1 ZINC000634558348 430036052 /nfs/dbraw/zinc/03/60/52/430036052.db2.gz WHRXOEPXMQCISD-HUUCEWRRSA-N 2 1 300.406 2.544 20 0 DFADMP CCC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(C[NH3+])no1 ZINC000634558348 430036055 /nfs/dbraw/zinc/03/60/55/430036055.db2.gz WHRXOEPXMQCISD-HUUCEWRRSA-N 2 1 300.406 2.544 20 0 DFADMP CC(C)C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(C[NH3+])no1 ZINC000634558470 430036182 /nfs/dbraw/zinc/03/61/82/430036182.db2.gz ZCSBHBAMBVFYAN-HZPDHXFCSA-N 2 1 314.433 2.790 20 0 DFADMP CC(C)C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1c1nc(C[NH3+])no1 ZINC000634558470 430036185 /nfs/dbraw/zinc/03/61/85/430036185.db2.gz ZCSBHBAMBVFYAN-HZPDHXFCSA-N 2 1 314.433 2.790 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000574391174 430036430 /nfs/dbraw/zinc/03/64/30/430036430.db2.gz KDYJBSNLCGMHAN-ZDUSSCGKSA-N 2 1 304.413 2.970 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000559111662 429998559 /nfs/dbraw/zinc/99/85/59/429998559.db2.gz GORUQSSJIHYKGD-KBXCAEBGSA-N 2 1 317.408 2.859 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000573982459 430001669 /nfs/dbraw/zinc/00/16/69/430001669.db2.gz DENUWSWGAGUGCX-VXGBXAGGSA-N 2 1 324.266 2.979 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000573982459 430001671 /nfs/dbraw/zinc/00/16/71/430001671.db2.gz DENUWSWGAGUGCX-VXGBXAGGSA-N 2 1 324.266 2.979 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917521 430022888 /nfs/dbraw/zinc/02/28/88/430022888.db2.gz HJMGFPOCQCBSGA-IUODEOHRSA-N 2 1 300.805 2.586 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917521 430022893 /nfs/dbraw/zinc/02/28/93/430022893.db2.gz HJMGFPOCQCBSGA-IUODEOHRSA-N 2 1 300.805 2.586 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529548233 430025076 /nfs/dbraw/zinc/02/50/76/430025076.db2.gz JKUYIWXFAHVGOQ-PBHICJAKSA-N 2 1 324.415 2.647 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC(F)(F)C1 ZINC000529548233 430025081 /nfs/dbraw/zinc/02/50/81/430025081.db2.gz JKUYIWXFAHVGOQ-PBHICJAKSA-N 2 1 324.415 2.647 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)C1 ZINC000634732993 430094379 /nfs/dbraw/zinc/09/43/79/430094379.db2.gz TXIWPEZFRRPEJW-ZDUSSCGKSA-N 2 1 306.841 2.856 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000530220932 430105900 /nfs/dbraw/zinc/10/59/00/430105900.db2.gz KQQYHZKVSOUBDV-QXAKKESOSA-N 2 1 320.452 2.847 20 0 DFADMP CN1C(=O)c2ccccc2[C@@H]1C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000530226529 430106260 /nfs/dbraw/zinc/10/62/60/430106260.db2.gz RRTFCPQZIMAPCT-KURKYZTESA-N 2 1 307.397 2.548 20 0 DFADMP Cc1nn(C)c2sc([C@H](C)[NH2+]CCc3c[nH+]cn3C)cc12 ZINC000562055562 430107201 /nfs/dbraw/zinc/10/72/01/430107201.db2.gz FDWYSFBGKGXEDM-NSHDSACASA-N 2 1 303.435 2.570 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)N(C)c1ccccc1 ZINC000560513868 430051604 /nfs/dbraw/zinc/05/16/04/430051604.db2.gz IWFFNPCQIIRGJN-OWYHZJEWSA-N 2 1 301.478 2.974 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)CC1CC[NH+](C)CC1)O[C@@H](C)C2 ZINC000560513567 430051902 /nfs/dbraw/zinc/05/19/02/430051902.db2.gz WDVGMRWESZPFLB-AWEZNQCLSA-N 2 1 318.461 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643553 430062950 /nfs/dbraw/zinc/06/29/50/430062950.db2.gz DRBXLUMTVMLBFA-ACRUOGEOSA-N 2 1 322.452 2.769 20 0 DFADMP O[C@]1(C[NH2+][C@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643553 430062954 /nfs/dbraw/zinc/06/29/54/430062954.db2.gz DRBXLUMTVMLBFA-ACRUOGEOSA-N 2 1 322.452 2.769 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000561074578 430074280 /nfs/dbraw/zinc/07/42/80/430074280.db2.gz UVEATJRAGJRSNM-SJLPKXTDSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)O1 ZINC000634688426 430078009 /nfs/dbraw/zinc/07/80/09/430078009.db2.gz RYLORAVQKULYMX-ILXRZTDVSA-N 2 1 321.490 2.655 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@@H+](Cc2nccs2)[C@H]2CC23CC[NH2+]CC3)O1 ZINC000634688426 430078011 /nfs/dbraw/zinc/07/80/11/430078011.db2.gz RYLORAVQKULYMX-ILXRZTDVSA-N 2 1 321.490 2.655 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000562617992 430154349 /nfs/dbraw/zinc/15/43/49/430154349.db2.gz ZCYSKPHXAMSANP-CVEARBPZSA-N 2 1 304.482 2.910 20 0 DFADMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000361434501 277024564 /nfs/dbraw/zinc/02/45/64/277024564.db2.gz DWOPJCUGKHLUNT-ABHNRTSZSA-N 2 1 309.498 2.534 20 0 DFADMP CC(=O)NC1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000361434501 277024566 /nfs/dbraw/zinc/02/45/66/277024566.db2.gz DWOPJCUGKHLUNT-ABHNRTSZSA-N 2 1 309.498 2.534 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)CC1 ZINC000377883568 277034693 /nfs/dbraw/zinc/03/46/93/277034693.db2.gz KHXFDWDDQVBABE-HNNXBMFYSA-N 2 1 304.482 2.871 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(-c3ccccc3)c2)CC1 ZINC000375474689 277038378 /nfs/dbraw/zinc/03/83/78/277038378.db2.gz RRJHXTAZYYSBIJ-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)n2)cc1 ZINC000634996706 430186714 /nfs/dbraw/zinc/18/67/14/430186714.db2.gz RFZMLABHMVWUBH-JXFKEZNVSA-N 2 1 322.456 2.892 20 0 DFADMP Clc1ccccc1N1CCC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C1 ZINC000634995318 430186920 /nfs/dbraw/zinc/18/69/20/430186920.db2.gz APJPUYBGMBZHSO-UUCFBXCCSA-N 2 1 305.853 2.650 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200394 430188512 /nfs/dbraw/zinc/18/85/12/430188512.db2.gz GNOZKCFEXFEFPG-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200394 430188517 /nfs/dbraw/zinc/18/85/17/430188517.db2.gz GNOZKCFEXFEFPG-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000581200394 430188520 /nfs/dbraw/zinc/18/85/20/430188520.db2.gz GNOZKCFEXFEFPG-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532628 430191050 /nfs/dbraw/zinc/19/10/50/430191050.db2.gz UNXNFMGMLJTVAF-ROUUACIJSA-N 2 1 323.525 2.974 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCc1cccs1 ZINC000640530617 430192222 /nfs/dbraw/zinc/19/22/22/430192222.db2.gz AAFZVHQNFXIEFC-UHFFFAOYSA-N 2 1 323.506 2.562 20 0 DFADMP C[C@@H](C(=O)NC1CCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531191 430192352 /nfs/dbraw/zinc/19/23/52/430192352.db2.gz LFFVCDSDBWBCHN-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]([NH3+])Cc1ccccc1 ZINC000635004501 430192943 /nfs/dbraw/zinc/19/29/43/430192943.db2.gz FFCVXDRXSFIGSB-BHIYHBOVSA-N 3 1 303.494 2.847 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004994 430193348 /nfs/dbraw/zinc/19/33/48/430193348.db2.gz RTWMPFIFTCPDMP-KWVUDZMESA-N 2 1 313.489 2.627 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004994 430193353 /nfs/dbraw/zinc/19/33/53/430193353.db2.gz RTWMPFIFTCPDMP-KWVUDZMESA-N 3 1 313.489 2.627 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004994 430193357 /nfs/dbraw/zinc/19/33/57/430193357.db2.gz RTWMPFIFTCPDMP-KWVUDZMESA-N 3 1 313.489 2.627 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005178 430194214 /nfs/dbraw/zinc/19/42/14/430194214.db2.gz SANNPNCOGWCJQY-FLODPWGTSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005178 430194216 /nfs/dbraw/zinc/19/42/16/430194216.db2.gz SANNPNCOGWCJQY-FLODPWGTSA-N 2 1 301.478 2.614 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC000358165717 277184093 /nfs/dbraw/zinc/18/40/93/277184093.db2.gz OEAWHXGOZHZFFX-QRVBRYPASA-N 2 1 302.462 2.759 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC000358165717 277184094 /nfs/dbraw/zinc/18/40/94/277184094.db2.gz OEAWHXGOZHZFFX-QRVBRYPASA-N 2 1 302.462 2.759 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC000358165715 277184448 /nfs/dbraw/zinc/18/44/48/277184448.db2.gz OEAWHXGOZHZFFX-FHWLQOOXSA-N 2 1 302.462 2.759 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC000358165715 277184450 /nfs/dbraw/zinc/18/44/50/277184450.db2.gz OEAWHXGOZHZFFX-FHWLQOOXSA-N 2 1 302.462 2.759 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000300201768 277201880 /nfs/dbraw/zinc/20/18/80/277201880.db2.gz AMTPKTXKWARXFK-XUWVNRHRSA-N 2 1 323.481 2.649 20 0 DFADMP [NH3+][C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000635008161 430196312 /nfs/dbraw/zinc/19/63/12/430196312.db2.gz QWBZARKLTQDMCX-YSTOQKLRSA-N 3 1 315.505 2.847 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000367085004 277237301 /nfs/dbraw/zinc/23/73/01/277237301.db2.gz DFFVIWIMNHIYMB-FKSLSLAPSA-N 2 1 324.509 2.671 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000367085004 277237302 /nfs/dbraw/zinc/23/73/02/277237302.db2.gz DFFVIWIMNHIYMB-FKSLSLAPSA-N 2 1 324.509 2.671 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000581484149 430211501 /nfs/dbraw/zinc/21/15/01/430211501.db2.gz VYDFUYYRDAPRGK-QGZVFWFLSA-N 2 1 322.880 2.707 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000581484149 430211505 /nfs/dbraw/zinc/21/15/05/430211505.db2.gz VYDFUYYRDAPRGK-QGZVFWFLSA-N 2 1 322.880 2.707 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000261940275 277275713 /nfs/dbraw/zinc/27/57/13/277275713.db2.gz LFUKHOHRXKWUHO-AWEZNQCLSA-N 2 1 300.402 2.533 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000261940275 277275714 /nfs/dbraw/zinc/27/57/14/277275714.db2.gz LFUKHOHRXKWUHO-AWEZNQCLSA-N 2 1 300.402 2.533 20 0 DFADMP O=c1ccc(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c[nH]1 ZINC000638020770 430207897 /nfs/dbraw/zinc/20/78/97/430207897.db2.gz AFQKSZHUBXOPLJ-QGZVFWFLSA-N 2 1 303.450 2.875 20 0 DFADMP O=c1ccc(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c[nH]1 ZINC000638020770 430207901 /nfs/dbraw/zinc/20/79/01/430207901.db2.gz AFQKSZHUBXOPLJ-QGZVFWFLSA-N 2 1 303.450 2.875 20 0 DFADMP C[C@H](CCNC(=O)Nc1cc[nH+]c(N(C)C)c1)[NH+]1CCCCC1 ZINC000640610387 430210934 /nfs/dbraw/zinc/21/09/34/430210934.db2.gz KBOGPSRPKOXULI-CQSZACIVSA-N 2 1 319.453 2.534 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000638051615 430218346 /nfs/dbraw/zinc/21/83/46/430218346.db2.gz MOTPABXCPPRAQT-CZUORRHYSA-N 2 1 323.868 2.591 20 0 DFADMP Cc1scc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1C ZINC000638047164 430218555 /nfs/dbraw/zinc/21/85/55/430218555.db2.gz ZAKPNOAUQVLOMJ-CYBMUJFWSA-N 2 1 310.507 2.890 20 0 DFADMP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000370160093 277354954 /nfs/dbraw/zinc/35/49/54/277354954.db2.gz FODIYWQVMLDTER-HIFRSBDPSA-N 2 1 308.495 2.901 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000638062981 430222792 /nfs/dbraw/zinc/22/27/92/430222792.db2.gz KVRVPGQFEFBJCZ-CVEARBPZSA-N 2 1 317.477 2.675 20 0 DFADMP CCCC[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000542767004 430223808 /nfs/dbraw/zinc/22/38/08/430223808.db2.gz UZZOYDFNZCNTAV-UHFFFAOYSA-N 2 1 317.481 3.143 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000638062984 430224378 /nfs/dbraw/zinc/22/43/78/430224378.db2.gz KVRVPGQFEFBJCZ-HOTGVXAUSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000566230056 430249982 /nfs/dbraw/zinc/24/99/82/430249982.db2.gz CTIWSEJMOCWMRS-UWVGGRQHSA-N 2 1 314.355 2.808 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nc2cc(C(F)(F)F)ccc2n1C ZINC000566230058 430250380 /nfs/dbraw/zinc/25/03/80/430250380.db2.gz CTIWSEJMOCWMRS-ZJUUUORDSA-N 2 1 314.355 2.808 20 0 DFADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000635324767 430254553 /nfs/dbraw/zinc/25/45/53/430254553.db2.gz JQAMLDNEZBQDHF-JKSUJKDBSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000635345034 430256633 /nfs/dbraw/zinc/25/66/33/430256633.db2.gz JXIYHXJQAOHZIX-HUUCEWRRSA-N 2 1 303.450 2.950 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000566417732 430257255 /nfs/dbraw/zinc/25/72/55/430257255.db2.gz XOYDGNNFWIWVQC-KRWDZBQOSA-N 2 1 309.417 2.649 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](n2ncc3ccccc32)C1 ZINC000566417732 430257259 /nfs/dbraw/zinc/25/72/59/430257259.db2.gz XOYDGNNFWIWVQC-KRWDZBQOSA-N 2 1 309.417 2.649 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000582002696 430258006 /nfs/dbraw/zinc/25/80/06/430258006.db2.gz ASBNBONCOCTBRN-QGZVFWFLSA-N 2 1 318.461 2.663 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000638173280 430260215 /nfs/dbraw/zinc/26/02/15/430260215.db2.gz VFJPKOAUELXITG-BBRMVZONSA-N 2 1 300.406 2.678 20 0 DFADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c2ccccc21 ZINC000582117817 430269797 /nfs/dbraw/zinc/26/97/97/430269797.db2.gz JJAKFEOKYFBMMH-KNBMTAEXSA-N 2 1 316.489 2.958 20 0 DFADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c2ccccc21 ZINC000582117817 430269808 /nfs/dbraw/zinc/26/98/08/430269808.db2.gz JJAKFEOKYFBMMH-KNBMTAEXSA-N 2 1 316.489 2.958 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](C)CO ZINC000582180954 430276704 /nfs/dbraw/zinc/27/67/04/430276704.db2.gz YJLVRJKKIYHCBJ-JFIYKMOQSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](C)CO ZINC000582180954 430276706 /nfs/dbraw/zinc/27/67/06/430276706.db2.gz YJLVRJKKIYHCBJ-JFIYKMOQSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@@H+](CC(=O)NC1CC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC000635447662 430282082 /nfs/dbraw/zinc/28/20/82/430282082.db2.gz SDOCBQGKRYTYAQ-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)CC[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638068311 430227148 /nfs/dbraw/zinc/22/71/48/430227148.db2.gz WTXDLLKQQVDAHA-IXDOHACOSA-N 2 1 311.514 2.624 20 0 DFADMP CC[NH2+][C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000638079626 430227904 /nfs/dbraw/zinc/22/79/04/430227904.db2.gz PASJAOLPKUOSCI-SOLBZPMBSA-N 2 1 317.477 2.668 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666447 430229618 /nfs/dbraw/zinc/22/96/18/430229618.db2.gz DSUZNJZLPMYZRW-KZNAEPCWSA-N 2 1 300.446 2.951 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666447 430229624 /nfs/dbraw/zinc/22/96/24/430229624.db2.gz DSUZNJZLPMYZRW-KZNAEPCWSA-N 2 1 300.446 2.951 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000638463347 430349985 /nfs/dbraw/zinc/34/99/85/430349985.db2.gz SVOROESAZWBJGW-UHFFFAOYSA-N 2 1 302.328 2.808 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000567748553 430288411 /nfs/dbraw/zinc/28/84/11/430288411.db2.gz XZMONDAWIPCEQF-NWDGAFQWSA-N 2 1 318.339 2.776 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308868 430288870 /nfs/dbraw/zinc/28/88/70/430288870.db2.gz AQCXHUUDBPZQPO-IUODEOHRSA-N 2 1 304.825 2.837 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308868 430288873 /nfs/dbraw/zinc/28/88/73/430288873.db2.gz AQCXHUUDBPZQPO-IUODEOHRSA-N 2 1 304.825 2.837 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638302679 430298774 /nfs/dbraw/zinc/29/87/74/430298774.db2.gz KWOYSOWWCRLULH-BSDSXHPESA-N 2 1 310.482 2.567 20 0 DFADMP CC[C@H](C)[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)OC ZINC000638305436 430299147 /nfs/dbraw/zinc/29/91/47/430299147.db2.gz XLBYPMJVUWNTCM-QFBILLFUSA-N 2 1 320.477 2.670 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000638308540 430300321 /nfs/dbraw/zinc/30/03/21/430300321.db2.gz KBSHUOJMLZVAAS-AEFFLSMTSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000638308542 430301017 /nfs/dbraw/zinc/30/10/17/430301017.db2.gz KBSHUOJMLZVAAS-SJLPKXTDSA-N 2 1 317.477 2.545 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000582449336 430301158 /nfs/dbraw/zinc/30/11/58/430301158.db2.gz XAUVWTJQVSBJSS-AZUAARDMSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000582449336 430301165 /nfs/dbraw/zinc/30/11/65/430301165.db2.gz XAUVWTJQVSBJSS-AZUAARDMSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000582449336 430301171 /nfs/dbraw/zinc/30/11/71/430301171.db2.gz XAUVWTJQVSBJSS-AZUAARDMSA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000582449336 430301176 /nfs/dbraw/zinc/30/11/76/430301176.db2.gz XAUVWTJQVSBJSS-AZUAARDMSA-N 2 1 316.489 2.705 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000567985720 430302007 /nfs/dbraw/zinc/30/20/07/430302007.db2.gz NZAGQLHWUKOTGC-HZPDHXFCSA-N 2 1 309.498 2.535 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H]3CCCO3)C2)s1 ZINC000567994178 430304444 /nfs/dbraw/zinc/30/44/44/430304444.db2.gz FKNMJVLBEJQBTA-JKSUJKDBSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCCO3)C2)s1 ZINC000567994178 430304447 /nfs/dbraw/zinc/30/44/47/430304447.db2.gz FKNMJVLBEJQBTA-JKSUJKDBSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCCO3)C2)s1 ZINC000567994178 430304452 /nfs/dbraw/zinc/30/44/52/430304452.db2.gz FKNMJVLBEJQBTA-JKSUJKDBSA-N 2 1 308.491 2.989 20 0 DFADMP COCC[N@@H+](C)CCCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000568030000 430306675 /nfs/dbraw/zinc/30/66/75/430306675.db2.gz DYIZHRYWGGDKGQ-UHFFFAOYSA-N 2 1 318.465 2.516 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@@H]([NH3+])c2ccccc2)nn1 ZINC000641169109 430350685 /nfs/dbraw/zinc/35/06/85/430350685.db2.gz KCGORHLDXLUZJG-AEFFLSMTSA-N 2 1 313.449 2.589 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H](C1CCCCC1)[NH+](C)C ZINC000638373255 430319920 /nfs/dbraw/zinc/31/99/20/430319920.db2.gz AFCZWJLKYMVGST-DJIMGWMZSA-N 2 1 309.498 2.534 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000568166755 430321990 /nfs/dbraw/zinc/32/19/90/430321990.db2.gz RYVVAURDWQHDKY-KRWDZBQOSA-N 2 1 323.444 2.867 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000568166755 430321994 /nfs/dbraw/zinc/32/19/94/430321994.db2.gz RYVVAURDWQHDKY-KRWDZBQOSA-N 2 1 323.444 2.867 20 0 DFADMP COc1ccccc1C[C@H](C)[N@H+](C)CCCc1c[nH+]cn1C ZINC000568165796 430322883 /nfs/dbraw/zinc/32/28/83/430322883.db2.gz XSUPAAHLAYCMDU-HNNXBMFYSA-N 2 1 301.434 2.924 20 0 DFADMP COc1ccccc1C[C@H](C)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000568165796 430322885 /nfs/dbraw/zinc/32/28/85/430322885.db2.gz XSUPAAHLAYCMDU-HNNXBMFYSA-N 2 1 301.434 2.924 20 0 DFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000568167570 430323137 /nfs/dbraw/zinc/32/31/37/430323137.db2.gz JCRTZNPGTGGVKY-ROUUACIJSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000568167570 430323140 /nfs/dbraw/zinc/32/31/40/430323140.db2.gz JCRTZNPGTGGVKY-ROUUACIJSA-N 2 1 322.493 2.611 20 0 DFADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000545866841 430329290 /nfs/dbraw/zinc/32/92/90/430329290.db2.gz YSVDCFTWWCPCKV-ROUUACIJSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000545866841 430329293 /nfs/dbraw/zinc/32/92/93/430329293.db2.gz YSVDCFTWWCPCKV-ROUUACIJSA-N 2 1 324.896 2.953 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000545867366 430330553 /nfs/dbraw/zinc/33/05/53/430330553.db2.gz QOBSLAOWPFWKPY-OALUTQOASA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000545867366 430330560 /nfs/dbraw/zinc/33/05/60/430330560.db2.gz QOBSLAOWPFWKPY-OALUTQOASA-N 2 1 302.462 2.964 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2CC(n3cccn3)C2)C1 ZINC000638407324 430333637 /nfs/dbraw/zinc/33/36/37/430333637.db2.gz GLUXQLAJQCQJTR-JUVOFCAFSA-N 2 1 304.482 2.933 20 0 DFADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000638409388 430334428 /nfs/dbraw/zinc/33/44/28/430334428.db2.gz KZKLFCKRLQUPTI-OWCLPIDISA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000638409388 430334431 /nfs/dbraw/zinc/33/44/31/430334431.db2.gz KZKLFCKRLQUPTI-OWCLPIDISA-N 2 1 309.498 2.534 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638411218 430334452 /nfs/dbraw/zinc/33/44/52/430334452.db2.gz LTWIZGUPAJZCNJ-HKUYNNGSSA-N 2 1 310.445 2.841 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)c1 ZINC000638411218 430334455 /nfs/dbraw/zinc/33/44/55/430334455.db2.gz LTWIZGUPAJZCNJ-HKUYNNGSSA-N 2 1 310.445 2.841 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC2CC(n3cccn3)C2)C1 ZINC000638407325 430334474 /nfs/dbraw/zinc/33/44/74/430334474.db2.gz GLUXQLAJQCQJTR-NUWOQIAWSA-N 2 1 304.482 2.933 20 0 DFADMP COCCOCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417388 430336198 /nfs/dbraw/zinc/33/61/98/430336198.db2.gz FTMOBQCYSQBZFU-HKUYNNGSSA-N 2 1 318.461 2.607 20 0 DFADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638417388 430336201 /nfs/dbraw/zinc/33/62/01/430336201.db2.gz FTMOBQCYSQBZFU-HKUYNNGSSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@@H](O)C[N@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000582899479 430344661 /nfs/dbraw/zinc/34/46/61/430344661.db2.gz PHQXMHCGVAWRHN-QAPCUYQASA-N 2 1 316.420 2.751 20 0 DFADMP c1ccc([C@H]2C[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000568401246 430355513 /nfs/dbraw/zinc/35/55/13/430355513.db2.gz IFTPMIQLJQBQDF-HXUWFJFHSA-N 2 1 308.425 2.906 20 0 DFADMP c1ccc([C@H]2C[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)CCO2)cc1 ZINC000568401246 430355518 /nfs/dbraw/zinc/35/55/18/430355518.db2.gz IFTPMIQLJQBQDF-HXUWFJFHSA-N 2 1 308.425 2.906 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000638495024 430359672 /nfs/dbraw/zinc/35/96/72/430359672.db2.gz DAIFBRTYKCUWPP-SOUVJXGZSA-N 2 1 303.450 2.914 20 0 DFADMP C[N@@H+](CCC(=O)N[C@@H]1CC[NH+](C2CCCC2)C1)C1CCCCC1 ZINC000547732942 430417222 /nfs/dbraw/zinc/41/72/22/430417222.db2.gz UMOMEEPMBSYTBI-MRXNPFEDSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@](C)(C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521995 430366281 /nfs/dbraw/zinc/36/62/81/430366281.db2.gz TXZRSUVRBHRUSQ-RBUKOAKNSA-N 2 1 304.478 2.956 20 0 DFADMP CCC[C@@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)OC ZINC000638524524 430367204 /nfs/dbraw/zinc/36/72/04/430367204.db2.gz PXROVXQFCXHDKU-KRWDZBQOSA-N 2 1 323.481 2.908 20 0 DFADMP C[NH+](CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1)C1CCCCC1 ZINC000547732942 430417223 /nfs/dbraw/zinc/41/72/23/430417223.db2.gz UMOMEEPMBSYTBI-MRXNPFEDSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)C1CCCCC1 ZINC000547732942 430417224 /nfs/dbraw/zinc/41/72/24/430417224.db2.gz UMOMEEPMBSYTBI-MRXNPFEDSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000568541889 430369801 /nfs/dbraw/zinc/36/98/01/430369801.db2.gz SHADMNWVZJCUKI-YOEHRIQHSA-N 2 1 304.434 2.856 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000568625982 430375920 /nfs/dbraw/zinc/37/59/20/430375920.db2.gz KBRCNLNNMJXXKG-WMZOPIPTSA-N 2 1 317.477 2.657 20 0 DFADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)Cc1ccccc1 ZINC000638566786 430377847 /nfs/dbraw/zinc/37/78/47/430377847.db2.gz QNBPYVYDEKYWEH-RBUKOAKNSA-N 2 1 304.478 2.954 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000583278818 430380453 /nfs/dbraw/zinc/38/04/53/430380453.db2.gz JGQCDHNAYPULKV-WCXIOVBPSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000583278818 430380459 /nfs/dbraw/zinc/38/04/59/430380459.db2.gz JGQCDHNAYPULKV-WCXIOVBPSA-N 2 1 310.482 2.818 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638588359 430383390 /nfs/dbraw/zinc/38/33/90/430383390.db2.gz KYVHBZOTXUGDRI-LBPRGKRZSA-N 2 1 305.372 2.944 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638588359 430383394 /nfs/dbraw/zinc/38/33/94/430383394.db2.gz KYVHBZOTXUGDRI-LBPRGKRZSA-N 2 1 305.372 2.944 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641353445 430388199 /nfs/dbraw/zinc/38/81/99/430388199.db2.gz GTSNYNBOHMQQLY-CQSZACIVSA-N 2 1 305.466 2.661 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641353445 430388201 /nfs/dbraw/zinc/38/82/01/430388201.db2.gz GTSNYNBOHMQQLY-CQSZACIVSA-N 2 1 305.466 2.661 20 0 DFADMP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000568756389 430389658 /nfs/dbraw/zinc/38/96/58/430389658.db2.gz GMLJFRIBGDRPLY-SOLBZPMBSA-N 2 1 317.477 2.703 20 0 DFADMP CN(C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000547429961 430392642 /nfs/dbraw/zinc/39/26/42/430392642.db2.gz PPTDJPIGXOMPSO-MRXNPFEDSA-N 2 1 321.465 2.653 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccco1 ZINC000547429961 430392645 /nfs/dbraw/zinc/39/26/45/430392645.db2.gz PPTDJPIGXOMPSO-MRXNPFEDSA-N 2 1 321.465 2.653 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000547429961 430392646 /nfs/dbraw/zinc/39/26/46/430392646.db2.gz PPTDJPIGXOMPSO-MRXNPFEDSA-N 2 1 321.465 2.653 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1)C(C)C ZINC000638644961 430398757 /nfs/dbraw/zinc/39/87/57/430398757.db2.gz TXQYJSHABOIAJQ-CRAIPNDOSA-N 2 1 317.477 2.787 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1Cl ZINC000635882001 430402669 /nfs/dbraw/zinc/40/26/69/430402669.db2.gz ROBCERGVCZPMBC-UHFFFAOYSA-N 2 1 309.841 2.682 20 0 DFADMP c1cnc(Oc2ccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)cn1 ZINC000583872097 430436204 /nfs/dbraw/zinc/43/62/04/430436204.db2.gz OSQZSUKEWXTIMN-LJQANCHMSA-N 2 1 324.428 2.844 20 0 DFADMP c1cnc(Oc2ccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cc2)cn1 ZINC000583872097 430436207 /nfs/dbraw/zinc/43/62/07/430436207.db2.gz OSQZSUKEWXTIMN-LJQANCHMSA-N 2 1 324.428 2.844 20 0 DFADMP c1cnc(Oc2ccc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)cn1 ZINC000583872096 430436859 /nfs/dbraw/zinc/43/68/59/430436859.db2.gz OSQZSUKEWXTIMN-IBGZPJMESA-N 2 1 324.428 2.844 20 0 DFADMP c1cnc(Oc2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cc2)cn1 ZINC000583872096 430436863 /nfs/dbraw/zinc/43/68/63/430436863.db2.gz OSQZSUKEWXTIMN-IBGZPJMESA-N 2 1 324.428 2.844 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641807841 430480786 /nfs/dbraw/zinc/48/07/86/430480786.db2.gz SFESMDDMEJAPAR-UBHSHLNASA-N 2 1 323.868 2.999 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548061259 430443673 /nfs/dbraw/zinc/44/36/73/430443673.db2.gz WUZTYHRIKSSHRW-OAHLLOKOSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061259 430443678 /nfs/dbraw/zinc/44/36/78/430443678.db2.gz WUZTYHRIKSSHRW-OAHLLOKOSA-N 2 1 320.481 2.598 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641707678 430447626 /nfs/dbraw/zinc/44/76/26/430447626.db2.gz OWXVKAKOFGSENX-CQSZACIVSA-N 2 1 316.449 2.870 20 0 DFADMP CCn1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(-c2ccccc2)n1 ZINC000641712532 430450957 /nfs/dbraw/zinc/45/09/57/430450957.db2.gz GHKNJQRINOFEPO-KRWDZBQOSA-N 2 1 321.428 2.871 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000584023393 430451095 /nfs/dbraw/zinc/45/10/95/430451095.db2.gz LMFFYLPHIKVQBO-LLVKDONJSA-N 2 1 302.340 2.842 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000584023393 430451099 /nfs/dbraw/zinc/45/10/99/430451099.db2.gz LMFFYLPHIKVQBO-LLVKDONJSA-N 2 1 302.340 2.842 20 0 DFADMP CC1(C)CCC[C@@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000569437769 430454008 /nfs/dbraw/zinc/45/40/08/430454008.db2.gz SZRAWHZOTFCDPZ-ZACQAIPSSA-N 2 1 306.494 2.903 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1)[C@H](C)[NH3+] ZINC000638850710 430455198 /nfs/dbraw/zinc/45/51/98/430455198.db2.gz GTEAKSLSFPBNSL-SOLBZPMBSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)C(C)C ZINC000641731661 430455588 /nfs/dbraw/zinc/45/55/88/430455588.db2.gz FYIWMDHHEPGGCP-UHFFFAOYSA-N 2 1 304.438 2.867 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000584063986 430456819 /nfs/dbraw/zinc/45/68/19/430456819.db2.gz KKMHNGBKZGONMB-IEBWSBKVSA-N 2 1 301.478 2.819 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[C@@H]([NH3+])C3)c2)C[C@H](C)O1 ZINC000569473331 430457602 /nfs/dbraw/zinc/45/76/02/430457602.db2.gz XEPWMIXWINWVNR-LORHWOILSA-N 2 1 317.477 2.978 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@@H]2C=CCCC2)CC1 ZINC000548282206 430460224 /nfs/dbraw/zinc/46/02/24/430460224.db2.gz KWKMNRYYJQAKRQ-OAHLLOKOSA-N 2 1 314.433 2.518 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000638867172 430460997 /nfs/dbraw/zinc/46/09/97/430460997.db2.gz YZRAWBIDCTYJJM-HHXXYDBFSA-N 2 1 301.478 2.894 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCCC[NH2+]1 ZINC000569579451 430467138 /nfs/dbraw/zinc/46/71/38/430467138.db2.gz MVPQKQXTIVYWCM-SFHVURJKSA-N 2 1 317.477 2.675 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@@H]2C[NH+](C)CC[C@H]21)C1CCCCC1 ZINC000548393081 430468492 /nfs/dbraw/zinc/46/84/92/430468492.db2.gz KNXUMFBEIWQEPX-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000548424028 430474284 /nfs/dbraw/zinc/47/42/84/430474284.db2.gz GKZZDOJVPYTUKW-GFCCVEGCSA-N 2 1 313.430 2.687 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000641803537 430475562 /nfs/dbraw/zinc/47/55/62/430475562.db2.gz SQHMPVJLFLCDOZ-OLZOCXBDSA-N 2 1 302.340 2.843 20 0 DFADMP CC(C)C[C@H](NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803207 430476800 /nfs/dbraw/zinc/47/68/00/430476800.db2.gz BKJSCRWUINHLSD-ULQDDVLXSA-N 2 1 317.477 2.605 20 0 DFADMP CC(C)C[C@H](NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641803208 430477057 /nfs/dbraw/zinc/47/70/57/430477057.db2.gz BKJSCRWUINHLSD-YESZJQIVSA-N 2 1 317.477 2.605 20 0 DFADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2c(Cl)cccc2Cl)C[C@@H]1[NH3+] ZINC000641804621 430477981 /nfs/dbraw/zinc/47/79/81/430477981.db2.gz IUFGADWGEFZHSS-WDEREUQCSA-N 2 1 316.232 2.647 20 0 DFADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000548453273 430478083 /nfs/dbraw/zinc/47/80/83/430478083.db2.gz MOJYRFSQHLSHDP-HUUCEWRRSA-N 2 1 320.481 2.603 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCCC[NH2+]C1 ZINC000583740554 430423976 /nfs/dbraw/zinc/42/39/76/430423976.db2.gz YGEHTAPCOQMLPA-SWLSCSKDSA-N 2 1 309.841 2.789 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC3(C)C)CC2)CC1 ZINC000569116939 430424262 /nfs/dbraw/zinc/42/42/62/430424262.db2.gz NKKHDNPXKSRMCI-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CCCNC(=O)C2)cc1 ZINC000638768755 430429188 /nfs/dbraw/zinc/42/91/88/430429188.db2.gz FHJAUKGLLNXSKC-BBRMVZONSA-N 2 1 312.417 2.500 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638970318 430483509 /nfs/dbraw/zinc/48/35/09/430483509.db2.gz LTKNMZHIPPKXEU-LDTOTXGLSA-N 2 1 314.473 2.779 20 0 DFADMP CO[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000163896978 277740226 /nfs/dbraw/zinc/74/02/26/277740226.db2.gz WTMILKKOCPRAER-OALUTQOASA-N 2 1 320.452 2.990 20 0 DFADMP C[C@H](CC[NH2+]Cc1cccn(C(F)F)c1=O)[NH+]1CCCCC1 ZINC000639036892 430497428 /nfs/dbraw/zinc/49/74/28/430497428.db2.gz CYRIVXPGRBMGGP-CYBMUJFWSA-N 2 1 313.392 2.598 20 0 DFADMP Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c(C)c1 ZINC000569921052 430498643 /nfs/dbraw/zinc/49/86/43/430498643.db2.gz NQSAICKSODXCDM-QGZVFWFLSA-N 2 1 304.478 2.626 20 0 DFADMP Cc1ccc(C(C)(C)C[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c(C)c1 ZINC000569921052 430498645 /nfs/dbraw/zinc/49/86/45/430498645.db2.gz NQSAICKSODXCDM-QGZVFWFLSA-N 2 1 304.478 2.626 20 0 DFADMP Cc1cc(CNC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(C)n1 ZINC000570074290 430511293 /nfs/dbraw/zinc/51/12/93/430511293.db2.gz KBEFUWMKLQVRQM-ALOPSCKCSA-N 2 1 316.449 2.513 20 0 DFADMP Cn1c[nH+]cc1CCCN1CCO[C@@H](c2ccccc2F)C1 ZINC000570105213 430513538 /nfs/dbraw/zinc/51/35/38/430513538.db2.gz YBZRHHZLTUCUQN-QGZVFWFLSA-N 2 1 303.381 2.565 20 0 DFADMP CCCN(C[C@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccccc1OC ZINC000570408133 430541354 /nfs/dbraw/zinc/54/13/54/430541354.db2.gz WXOHHYLJAPKTEQ-JKSUJKDBSA-N 2 1 308.466 2.781 20 0 DFADMP CCC[N@H+](C[C@H](O)CN(C)CC)[C@@H](C)c1ccccc1OC ZINC000570408133 430541359 /nfs/dbraw/zinc/54/13/59/430541359.db2.gz WXOHHYLJAPKTEQ-JKSUJKDBSA-N 2 1 308.466 2.781 20 0 DFADMP CCC[N@@H+](C[C@H](O)CN(C)CC)[C@@H](C)c1ccccc1OC ZINC000570408133 430541364 /nfs/dbraw/zinc/54/13/64/430541364.db2.gz WXOHHYLJAPKTEQ-JKSUJKDBSA-N 2 1 308.466 2.781 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000639082826 430518016 /nfs/dbraw/zinc/51/80/16/430518016.db2.gz YAIUWLVSQDKHQS-GOSISDBHSA-N 2 1 302.462 2.804 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000639096528 430522767 /nfs/dbraw/zinc/52/27/67/430522767.db2.gz GQQOYGLIMYLYLQ-QGZVFWFLSA-N 2 1 318.461 2.644 20 0 DFADMP CSC[C@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000570202542 430523533 /nfs/dbraw/zinc/52/35/33/430523533.db2.gz MZVLHTRZYSIQGQ-ZWKOTPCHSA-N 2 1 322.518 2.602 20 0 DFADMP C[NH+](C)[C@H]1CCCN([C@@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000639103200 430525182 /nfs/dbraw/zinc/52/51/82/430525182.db2.gz HXHNGONJJOMBKE-JKSUJKDBSA-N 2 1 305.470 2.842 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106185 430525547 /nfs/dbraw/zinc/52/55/47/430525547.db2.gz WXDHGZMETXSQEI-MSOLQXFVSA-N 2 1 301.478 2.929 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@H]1CCN(c2ccccc2)C1 ZINC000639131972 430537384 /nfs/dbraw/zinc/53/73/84/430537384.db2.gz CINOTZTVOGPDIM-GOSISDBHSA-N 2 1 301.478 2.931 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000570389249 430539788 /nfs/dbraw/zinc/53/97/88/430539788.db2.gz ZXBKADVNBMAUOI-XIVBQZFQSA-N 3 1 317.477 2.595 20 0 DFADMP COC(C)(C)C[N@@H+](C)C[C@@H]1CN(Cc2ccccc2)CCCO1 ZINC000551386971 430555010 /nfs/dbraw/zinc/55/50/10/430555010.db2.gz IMMVEFKLNXZFLK-GOSISDBHSA-N 2 1 320.477 2.634 20 0 DFADMP COC(C)(C)CN(C)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000551386971 430555016 /nfs/dbraw/zinc/55/50/16/430555016.db2.gz IMMVEFKLNXZFLK-GOSISDBHSA-N 2 1 320.477 2.634 20 0 DFADMP COC(C)(C)CN(C)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000551386971 430555019 /nfs/dbraw/zinc/55/50/19/430555019.db2.gz IMMVEFKLNXZFLK-GOSISDBHSA-N 2 1 320.477 2.634 20 0 DFADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000639191111 430563185 /nfs/dbraw/zinc/56/31/85/430563185.db2.gz GAHPCZFFXZRGLQ-SNVBAGLBSA-N 2 1 311.216 2.946 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000639192026 430563552 /nfs/dbraw/zinc/56/35/52/430563552.db2.gz OEDANHCKSZBFOM-APHBMKBZSA-N 2 1 303.450 2.983 20 0 DFADMP FC(F)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643251526 430566736 /nfs/dbraw/zinc/56/67/36/430566736.db2.gz FUDGYLXNKSIZGO-INIZCTEOSA-N 2 1 310.388 2.606 20 0 DFADMP FC(F)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643251526 430566739 /nfs/dbraw/zinc/56/67/39/430566739.db2.gz FUDGYLXNKSIZGO-INIZCTEOSA-N 2 1 310.388 2.606 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639218219 430576187 /nfs/dbraw/zinc/57/61/87/430576187.db2.gz LQMBIBHICISRAY-IKGGRYGDSA-N 2 1 309.498 2.534 20 0 DFADMP COC[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000643456349 430601872 /nfs/dbraw/zinc/60/18/72/430601872.db2.gz TVHZMTQMYQQTFG-IINYFYTJSA-N 2 1 302.340 2.590 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639257924 430589697 /nfs/dbraw/zinc/58/96/97/430589697.db2.gz ULPOIKVPPKFLBE-QGZVFWFLSA-N 2 1 320.477 2.659 20 0 DFADMP CCC[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000643349122 430590007 /nfs/dbraw/zinc/59/00/07/430590007.db2.gz LGVKLVVMKXYLQS-LJQANCHMSA-N 2 1 317.477 2.540 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639257923 430590188 /nfs/dbraw/zinc/59/01/88/430590188.db2.gz ULPOIKVPPKFLBE-KRWDZBQOSA-N 2 1 320.477 2.659 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000643366956 430593394 /nfs/dbraw/zinc/59/33/94/430593394.db2.gz LTDBSSPPWIRZIV-CALCHBBNSA-N 2 1 312.461 2.666 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000571753777 430651119 /nfs/dbraw/zinc/65/11/19/430651119.db2.gz FFBHELPDBJPSAE-BEFAXECRSA-N 2 1 317.477 2.691 20 0 DFADMP Cc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000554919313 430656223 /nfs/dbraw/zinc/65/62/23/430656223.db2.gz UKPTWVZJLOPAMD-INIZCTEOSA-N 2 1 312.461 2.827 20 0 DFADMP CCCC[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000554958919 430657251 /nfs/dbraw/zinc/65/72/51/430657251.db2.gz ZNENDXNTUZOPTI-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639505679 430658131 /nfs/dbraw/zinc/65/81/31/430658131.db2.gz RJFRQSCLEPZKMM-MRXNPFEDSA-N 2 1 302.462 2.923 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1)C1CC1 ZINC000571101777 430603986 /nfs/dbraw/zinc/60/39/86/430603986.db2.gz CSLSMLYPMLIFHI-PBHICJAKSA-N 2 1 315.461 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000643472548 430607071 /nfs/dbraw/zinc/60/70/71/430607071.db2.gz QAEASZDJDBFKEE-BHYGNILZSA-N 2 1 303.450 2.717 20 0 DFADMP Cn1nc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643481108 430607123 /nfs/dbraw/zinc/60/71/23/430607123.db2.gz QYOJAWWSXPHCEZ-BHYGNILZSA-N 2 1 312.461 2.974 20 0 DFADMP C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480443 430607539 /nfs/dbraw/zinc/60/75/39/430607539.db2.gz TWBWYKUCOLDXRF-ONSCTEFMSA-N 2 1 313.489 2.627 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)c1OC ZINC000643502651 430609526 /nfs/dbraw/zinc/60/95/26/430609526.db2.gz MMVYODHQZZTVPV-CJNGLKHVSA-N 2 1 306.450 2.675 20 0 DFADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000643502394 430610113 /nfs/dbraw/zinc/61/01/13/430610113.db2.gz FHFCAEMEWFRZMT-IIAWOOMASA-N 2 1 306.450 2.928 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000643522978 430612692 /nfs/dbraw/zinc/61/26/92/430612692.db2.gz RBOSNZDEGOCNQD-PKOBYXMFSA-N 3 1 315.505 2.814 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546838 430615434 /nfs/dbraw/zinc/61/54/34/430615434.db2.gz VSNKRWCIUYFSOL-DYVFJYSZSA-N 2 1 301.434 2.970 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639351797 430618437 /nfs/dbraw/zinc/61/84/37/430618437.db2.gz AAEAFALFVOCCQL-RUDKAOKKSA-N 2 1 300.446 2.715 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639351797 430618439 /nfs/dbraw/zinc/61/84/39/430618439.db2.gz AAEAFALFVOCCQL-RUDKAOKKSA-N 2 1 300.446 2.715 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639359630 430619635 /nfs/dbraw/zinc/61/96/35/430619635.db2.gz OLSHRRJRQOJZBL-NZSAHSFTSA-N 2 1 302.462 2.913 20 0 DFADMP CO[C@H](C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359408 430620163 /nfs/dbraw/zinc/62/01/63/430620163.db2.gz MGFABKKLWUWVGO-ZYSHUDEJSA-N 2 1 302.462 2.769 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c(C)s1 ZINC000571397151 430624960 /nfs/dbraw/zinc/62/49/60/430624960.db2.gz ZQSSPLNKNYLTKY-LLVKDONJSA-N 2 1 319.478 2.801 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554085283 430628233 /nfs/dbraw/zinc/62/82/33/430628233.db2.gz FUTXDZJHISTAFF-NEWSRXKRSA-N 2 1 304.478 2.751 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000554213598 430630483 /nfs/dbraw/zinc/63/04/83/430630483.db2.gz DRXZLOFZBHJQFG-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000554213598 430630487 /nfs/dbraw/zinc/63/04/87/430630487.db2.gz DRXZLOFZBHJQFG-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000554213598 430630491 /nfs/dbraw/zinc/63/04/91/430630491.db2.gz DRXZLOFZBHJQFG-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]1CCCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)ncn2)C1 ZINC000554211563 430630927 /nfs/dbraw/zinc/63/09/27/430630927.db2.gz ZVFRIHYPJNIJKW-GJZGRUSLSA-N 2 1 315.465 2.609 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCC34CC4)cc2)CC1 ZINC000571658473 430644706 /nfs/dbraw/zinc/64/47/06/430644706.db2.gz IXXNQNXKDOUUDF-LJQANCHMSA-N 2 1 313.489 2.856 20 0 DFADMP CCn1c2ccccc2nc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000571689921 430646253 /nfs/dbraw/zinc/64/62/53/430646253.db2.gz XSHRAFWQVHQSJI-GDBMZVCRSA-N 2 1 300.450 2.828 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)n1 ZINC000639543463 430666967 /nfs/dbraw/zinc/66/69/67/430666967.db2.gz HGARDRYHQAHZOK-QXAKKESOSA-N 2 1 317.477 2.690 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c(C)n1 ZINC000639543463 430666969 /nfs/dbraw/zinc/66/69/69/430666969.db2.gz HGARDRYHQAHZOK-QXAKKESOSA-N 2 1 317.477 2.690 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)n1 ZINC000639543462 430667069 /nfs/dbraw/zinc/66/70/69/430667069.db2.gz HGARDRYHQAHZOK-NZSAHSFTSA-N 2 1 317.477 2.690 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(C)n1 ZINC000639543462 430667072 /nfs/dbraw/zinc/66/70/72/430667072.db2.gz HGARDRYHQAHZOK-NZSAHSFTSA-N 2 1 317.477 2.690 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000572055679 430669752 /nfs/dbraw/zinc/66/97/52/430669752.db2.gz MFUAMECMFUYMQQ-STQMWFEESA-N 2 1 307.463 2.549 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000572170716 430675047 /nfs/dbraw/zinc/67/50/47/430675047.db2.gz FKDNIBYOELDCDG-AWEZNQCLSA-N 2 1 308.385 2.614 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572257769 430678244 /nfs/dbraw/zinc/67/82/44/430678244.db2.gz QIFDNGALBSHFFO-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000572257769 430678246 /nfs/dbraw/zinc/67/82/46/430678246.db2.gz QIFDNGALBSHFFO-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP CC(=O)N1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC12CCCCC2 ZINC000374324523 278041164 /nfs/dbraw/zinc/04/11/64/278041164.db2.gz MQGPSMQYOSWOPE-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP CC(=O)N1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)CC12CCCCC2 ZINC000374324523 278041166 /nfs/dbraw/zinc/04/11/66/278041166.db2.gz MQGPSMQYOSWOPE-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP CC(=O)N1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)CC12CCCCC2 ZINC000374324523 278041167 /nfs/dbraw/zinc/04/11/67/278041167.db2.gz MQGPSMQYOSWOPE-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP CC(=O)N1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)CC12CCCCC2 ZINC000374324523 278041169 /nfs/dbraw/zinc/04/11/69/278041169.db2.gz MQGPSMQYOSWOPE-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP CCc1ncc(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000556444613 430685627 /nfs/dbraw/zinc/68/56/27/430685627.db2.gz OTPRKKSHMZCQJD-PBHICJAKSA-N 2 1 314.433 2.632 20 0 DFADMP CCc1ncc(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000556444613 430685629 /nfs/dbraw/zinc/68/56/29/430685629.db2.gz OTPRKKSHMZCQJD-PBHICJAKSA-N 2 1 314.433 2.632 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158514725 278134230 /nfs/dbraw/zinc/13/42/30/278134230.db2.gz FNGOQWOTDOKCBX-JFIYKMOQSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158514725 278134231 /nfs/dbraw/zinc/13/42/31/278134231.db2.gz FNGOQWOTDOKCBX-JFIYKMOQSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158514725 278134232 /nfs/dbraw/zinc/13/42/32/278134232.db2.gz FNGOQWOTDOKCBX-JFIYKMOQSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158514725 278134233 /nfs/dbraw/zinc/13/42/33/278134233.db2.gz FNGOQWOTDOKCBX-JFIYKMOQSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N1CCC([NH2+]C2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000369479245 278136624 /nfs/dbraw/zinc/13/66/24/278136624.db2.gz UCNOTZWNIBKUGT-OWCLPIDISA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](CCN[C@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000156196299 278174104 /nfs/dbraw/zinc/17/41/04/278174104.db2.gz JCHQXSFIESPDGQ-LMMKCTJWSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000156196299 278174106 /nfs/dbraw/zinc/17/41/06/278174106.db2.gz JCHQXSFIESPDGQ-LMMKCTJWSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CCN[C@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000156196299 278174107 /nfs/dbraw/zinc/17/41/07/278174107.db2.gz JCHQXSFIESPDGQ-LMMKCTJWSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000249615391 278300868 /nfs/dbraw/zinc/30/08/68/278300868.db2.gz OXGFUDFMGQIQAQ-JFRXWTBNSA-N 2 1 304.478 2.689 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000357794092 278301337 /nfs/dbraw/zinc/30/13/37/278301337.db2.gz DXGBIANAXMKHFW-NEPXVJNWSA-N 2 1 304.478 2.546 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1 ZINC000268863405 278343643 /nfs/dbraw/zinc/34/36/43/278343643.db2.gz FBVKUIJGKWZVQN-CXAGYDPISA-N 2 1 312.404 2.852 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740058 278373000 /nfs/dbraw/zinc/37/30/00/278373000.db2.gz BSRGTLIAPISRDO-HZPDHXFCSA-N 2 1 319.497 2.788 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740058 278373002 /nfs/dbraw/zinc/37/30/02/278373002.db2.gz BSRGTLIAPISRDO-HZPDHXFCSA-N 2 1 319.497 2.788 20 0 DFADMP CN(C)c1cc[nH+]cc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657677727 430703880 /nfs/dbraw/zinc/70/38/80/430703880.db2.gz GUDAABBMWMVOCM-MRXNPFEDSA-N 2 1 302.466 2.644 20 0 DFADMP CN(C)c1cc[nH+]cc1CN[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657677727 430703884 /nfs/dbraw/zinc/70/38/84/430703884.db2.gz GUDAABBMWMVOCM-MRXNPFEDSA-N 2 1 302.466 2.644 20 0 DFADMP OC[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC1CC1 ZINC000657707191 430715174 /nfs/dbraw/zinc/71/51/74/430715174.db2.gz QESJBQGOHWJVIW-SFHVURJKSA-N 2 1 302.462 2.649 20 0 DFADMP Cc1cc(Cl)ccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752211 430725317 /nfs/dbraw/zinc/72/53/17/430725317.db2.gz NLEZJFXURVAKOL-KRWDZBQOSA-N 2 1 308.853 2.991 20 0 DFADMP CCc1cccc(F)c1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657750549 430725331 /nfs/dbraw/zinc/72/53/31/430725331.db2.gz BAGLJRHCSSRYLV-INIZCTEOSA-N 2 1 306.425 2.731 20 0 DFADMP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc21 ZINC000657752188 430725541 /nfs/dbraw/zinc/72/55/41/430725541.db2.gz NBQKLDDDVONZMG-QGZVFWFLSA-N 2 1 313.445 2.819 20 0 DFADMP Clc1cscc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657751018 430726490 /nfs/dbraw/zinc/72/64/90/430726490.db2.gz NBORECVWLAUODZ-CYBMUJFWSA-N 2 1 300.855 2.744 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)C1CCC1 ZINC000644658844 430782800 /nfs/dbraw/zinc/78/28/00/430782800.db2.gz IELUHUJXUMOTFA-SFHVURJKSA-N 2 1 304.478 2.895 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)C1CCC1 ZINC000644658844 430782807 /nfs/dbraw/zinc/78/28/07/430782807.db2.gz IELUHUJXUMOTFA-SFHVURJKSA-N 2 1 304.478 2.895 20 0 DFADMP CC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)COC1 ZINC000657772365 430733136 /nfs/dbraw/zinc/73/31/36/430733136.db2.gz MENNGRQDNCNEQY-SFHVURJKSA-N 2 1 314.473 2.915 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)C(C)(C)C(F)F)CC1 ZINC000657833694 430748568 /nfs/dbraw/zinc/74/85/68/430748568.db2.gz BRWOHAXWZFDIJD-AWEZNQCLSA-N 2 1 305.457 2.674 20 0 DFADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000657876035 430758470 /nfs/dbraw/zinc/75/84/70/430758470.db2.gz SZFPNBSCELNGKD-GJZGRUSLSA-N 2 1 318.383 2.539 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000644576673 430758500 /nfs/dbraw/zinc/75/85/00/430758500.db2.gz VEXTVTXQTORRIU-PGEKIEPBSA-N 2 1 308.853 2.631 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C1CC(c2cccc(Cl)c2)C1)C1CC1 ZINC000644576673 430758503 /nfs/dbraw/zinc/75/85/03/430758503.db2.gz VEXTVTXQTORRIU-PGEKIEPBSA-N 2 1 308.853 2.631 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000657875473 430758891 /nfs/dbraw/zinc/75/88/91/430758891.db2.gz KQBSNWRZXHQLCX-JTDSTZFVSA-N 2 1 306.494 2.889 20 0 DFADMP C[C@@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)(C)C(F)F ZINC000657873274 430759871 /nfs/dbraw/zinc/75/98/71/430759871.db2.gz LJYPBKIXGRJWLC-CYBMUJFWSA-N 2 1 304.425 2.901 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CC(C)(C)Cc1cccc(Cl)c1)C1CC1 ZINC000644587849 430761260 /nfs/dbraw/zinc/76/12/60/430761260.db2.gz WAGIGAVUXJDXIW-QGZVFWFLSA-N 2 1 324.896 2.953 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CC(C)(C)Cc1cccc(Cl)c1)C1CC1 ZINC000644587849 430761265 /nfs/dbraw/zinc/76/12/65/430761265.db2.gz WAGIGAVUXJDXIW-QGZVFWFLSA-N 2 1 324.896 2.953 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542946 288048932 /nfs/dbraw/zinc/04/89/32/288048932.db2.gz NXLZRJDDIVEDEA-CVEARBPZSA-N 2 1 310.482 2.818 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000644602134 430766344 /nfs/dbraw/zinc/76/63/44/430766344.db2.gz KBNWCCFTRGWOMC-HOTGVXAUSA-N 2 1 312.404 2.647 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCCC(F)(F)C1 ZINC000644602134 430766349 /nfs/dbraw/zinc/76/63/49/430766349.db2.gz KBNWCCFTRGWOMC-HOTGVXAUSA-N 2 1 312.404 2.647 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000644632224 430774567 /nfs/dbraw/zinc/77/45/67/430774567.db2.gz CGGNKTGGDLVBMG-GOSISDBHSA-N 2 1 302.462 2.792 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000644632224 430774572 /nfs/dbraw/zinc/77/45/72/430774572.db2.gz CGGNKTGGDLVBMG-GOSISDBHSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000657973158 430778834 /nfs/dbraw/zinc/77/88/34/430778834.db2.gz CASHQELZSSQKOU-UXHICEINSA-N 2 1 316.489 2.919 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000657973158 430778837 /nfs/dbraw/zinc/77/88/37/430778837.db2.gz CASHQELZSSQKOU-UXHICEINSA-N 2 1 316.489 2.919 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@H]2CCC[C@@H]21 ZINC000658105368 430813394 /nfs/dbraw/zinc/81/33/94/430813394.db2.gz IFDIOBKBXBHTFJ-SQNIBIBYSA-N 2 1 314.477 2.644 20 0 DFADMP OC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658141963 430822408 /nfs/dbraw/zinc/82/24/08/430822408.db2.gz XVYAXMCPHATPTN-HVLDZDKDSA-N 2 1 300.446 2.568 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCCC1 ZINC000658139888 430823373 /nfs/dbraw/zinc/82/33/73/430823373.db2.gz NOCGHPKSMMSGQE-DNVCBOLYSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@H]([NH2+][C@@H](C)C1(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658155323 430825978 /nfs/dbraw/zinc/82/59/78/430825978.db2.gz OZVSITDBYQUKQQ-XYJFISCASA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1(CO)CC1 ZINC000658158399 430827778 /nfs/dbraw/zinc/82/77/78/430827778.db2.gz BGSVPFWVQZHUSB-NUJGCVRESA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1(CO)CC1 ZINC000658158399 430827782 /nfs/dbraw/zinc/82/77/82/430827782.db2.gz BGSVPFWVQZHUSB-NUJGCVRESA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1(CO)CC1 ZINC000658158400 430827862 /nfs/dbraw/zinc/82/78/62/430827862.db2.gz BGSVPFWVQZHUSB-RYRKJORJSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1(CO)CC1 ZINC000658158400 430827865 /nfs/dbraw/zinc/82/78/65/430827865.db2.gz BGSVPFWVQZHUSB-RYRKJORJSA-N 2 1 302.462 2.648 20 0 DFADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000654856586 430829719 /nfs/dbraw/zinc/82/97/19/430829719.db2.gz UGRNHPWASWMSGA-MRXNPFEDSA-N 2 1 324.428 2.608 20 0 DFADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000654856586 430829723 /nfs/dbraw/zinc/82/97/23/430829723.db2.gz UGRNHPWASWMSGA-MRXNPFEDSA-N 2 1 324.428 2.608 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc2cnccc2o1 ZINC000658003577 430784208 /nfs/dbraw/zinc/78/42/08/430784208.db2.gz SPZQXYRYATUARB-CQSZACIVSA-N 2 1 316.449 2.504 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000644669382 430786086 /nfs/dbraw/zinc/78/60/86/430786086.db2.gz UBTXEAUUBFTBPQ-VAMGGRTRSA-N 2 1 316.489 2.895 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@@H]1C1CC1 ZINC000644669382 430786091 /nfs/dbraw/zinc/78/60/91/430786091.db2.gz UBTXEAUUBFTBPQ-VAMGGRTRSA-N 2 1 316.489 2.895 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665241 430798425 /nfs/dbraw/zinc/79/84/25/430798425.db2.gz RCXQZJYRMFVOMJ-SLFFLAALSA-N 2 1 316.489 2.959 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665241 430798428 /nfs/dbraw/zinc/79/84/28/430798428.db2.gz RCXQZJYRMFVOMJ-SLFFLAALSA-N 2 1 316.489 2.959 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661665241 430798430 /nfs/dbraw/zinc/79/84/30/430798430.db2.gz RCXQZJYRMFVOMJ-SLFFLAALSA-N 2 1 316.489 2.959 20 0 DFADMP CCC1(CC)CCC[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1 ZINC000661674860 430799996 /nfs/dbraw/zinc/79/99/96/430799996.db2.gz OMNUYXPPHIFDNY-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP COC[C@H](CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000658086028 430805913 /nfs/dbraw/zinc/80/59/13/430805913.db2.gz SYGQOBDXAMKLJV-WDSOQIARSA-N 2 1 320.477 2.538 20 0 DFADMP C[C@H]([NH2+][C@H](CO)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658088562 430806095 /nfs/dbraw/zinc/80/60/95/430806095.db2.gz UXWLWLOPJKEQMG-KFKAGJAMSA-N 2 1 302.462 2.648 20 0 DFADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000658089040 430806992 /nfs/dbraw/zinc/80/69/92/430806992.db2.gz WTZHGCXTLDHBIO-NXEWRWPSSA-N 2 1 314.473 2.933 20 0 DFADMP Cc1cccc(C)c1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665181789 430847946 /nfs/dbraw/zinc/84/79/46/430847946.db2.gz YZPNFOZFPCOMQK-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP Cc1cccc(C)c1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665181789 430847948 /nfs/dbraw/zinc/84/79/48/430847948.db2.gz YZPNFOZFPCOMQK-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000658257521 430854269 /nfs/dbraw/zinc/85/42/69/430854269.db2.gz YTEHIZQNKZCLKT-LULLPPNCSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000658257521 430854275 /nfs/dbraw/zinc/85/42/75/430854275.db2.gz YTEHIZQNKZCLKT-LULLPPNCSA-N 2 1 314.473 2.790 20 0 DFADMP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000651710959 430856424 /nfs/dbraw/zinc/85/64/24/430856424.db2.gz VGYNGABHVIRMSX-SJORKVTESA-N 2 1 312.498 2.671 20 0 DFADMP C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000665237417 430864545 /nfs/dbraw/zinc/86/45/45/430864545.db2.gz AIXDYWJVHQZDQX-SGMGOOAPSA-N 2 1 308.388 2.854 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000648714339 430866156 /nfs/dbraw/zinc/86/61/56/430866156.db2.gz AWSTYFVYLPTQEE-OAHLLOKOSA-N 2 1 320.481 2.777 20 0 DFADMP C[C@H](NCC1([NH3+])CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665247896 430868368 /nfs/dbraw/zinc/86/83/68/430868368.db2.gz LKFGEAISUVVXQD-WMZOPIPTSA-N 2 1 301.478 2.758 20 0 DFADMP CC(C)[C@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC000665251527 430870207 /nfs/dbraw/zinc/87/02/07/430870207.db2.gz RQGFAAHTVYVUQR-NCXUSEDFSA-N 2 1 302.462 2.925 20 0 DFADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000665297283 430889448 /nfs/dbraw/zinc/88/94/48/430889448.db2.gz CJRBBSKYLZKTDX-UWVGGRQHSA-N 2 1 303.219 2.717 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000665257897 430872598 /nfs/dbraw/zinc/87/25/98/430872598.db2.gz XVHQTUFCXIXSOT-NIKGAXFTSA-N 3 1 319.468 2.591 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000658328045 430876864 /nfs/dbraw/zinc/87/68/64/430876864.db2.gz SZPRCTJLBBMGLI-RTBURBONSA-N 2 1 324.509 2.815 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCOC2(C)C)[C@@H](C)C1 ZINC000658331174 430877405 /nfs/dbraw/zinc/87/74/05/430877405.db2.gz MBBQJLZVHZQYDE-BBWFWOEESA-N 2 1 312.498 2.528 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000648742806 430878048 /nfs/dbraw/zinc/87/80/48/430878048.db2.gz SFZWLAJYJAPUPJ-CVEARBPZSA-N 2 1 320.481 2.635 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000648752898 430880087 /nfs/dbraw/zinc/88/00/87/430880087.db2.gz RJUWVTYGCAHDSU-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP CC1(C)[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@@H]1OCc1ccccc1 ZINC000665278354 430881892 /nfs/dbraw/zinc/88/18/92/430881892.db2.gz BTDJOYFVWSHWNG-VIHIWDAPSA-N 2 1 300.446 2.712 20 0 DFADMP Clc1ccccc1C[C@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCO1 ZINC000665280228 430881999 /nfs/dbraw/zinc/88/19/99/430881999.db2.gz WHQIEIAQPDFHSO-KHCOKFHASA-N 2 1 320.864 2.772 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000658351958 430883788 /nfs/dbraw/zinc/88/37/88/430883788.db2.gz BQXPIETYQHEYHX-GBESFXJTSA-N 3 1 305.510 2.571 20 0 DFADMP CN1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@@H]2CCC[C@H]21 ZINC000658351958 430883791 /nfs/dbraw/zinc/88/37/91/430883791.db2.gz BQXPIETYQHEYHX-GBESFXJTSA-N 2 1 305.510 2.571 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665286392 430883828 /nfs/dbraw/zinc/88/38/28/430883828.db2.gz KONUGKTXEGMMQD-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665286392 430883832 /nfs/dbraw/zinc/88/38/32/430883832.db2.gz KONUGKTXEGMMQD-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665286392 430883839 /nfs/dbraw/zinc/88/38/39/430883839.db2.gz KONUGKTXEGMMQD-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665286392 430883843 /nfs/dbraw/zinc/88/38/43/430883843.db2.gz KONUGKTXEGMMQD-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000648775620 430887954 /nfs/dbraw/zinc/88/79/54/430887954.db2.gz QHJJCZTUUNOEKE-BZUAXINKSA-N 2 1 320.481 2.776 20 0 DFADMP CC[C@@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000658189895 430838199 /nfs/dbraw/zinc/83/81/99/430838199.db2.gz ZPUCCHXTVMXAMY-ZSYWTGECSA-N 2 1 302.462 2.648 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@H]2CCC[C@H]([NH3+])C2)on1 ZINC000665298847 430889794 /nfs/dbraw/zinc/88/97/94/430889794.db2.gz AUJPMYHSXDCTHZ-STQMWFEESA-N 2 1 301.390 2.710 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000645014894 430890981 /nfs/dbraw/zinc/89/09/81/430890981.db2.gz ALHUNTDNUDFUOC-SOTJZCEJSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000645014894 430890986 /nfs/dbraw/zinc/89/09/86/430890986.db2.gz ALHUNTDNUDFUOC-SOTJZCEJSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000651865796 430897215 /nfs/dbraw/zinc/89/72/15/430897215.db2.gz ICUIJXOVWWWXSN-UHFFFAOYSA-N 2 1 321.490 2.668 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000651865796 430897216 /nfs/dbraw/zinc/89/72/16/430897216.db2.gz ICUIJXOVWWWXSN-UHFFFAOYSA-N 2 1 321.490 2.668 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000651864748 430897541 /nfs/dbraw/zinc/89/75/41/430897541.db2.gz CIVSBHCIFVDSTM-UHFFFAOYSA-N 3 1 304.482 2.618 20 0 DFADMP Cc1ccc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c(Cl)c1 ZINC000651953113 430924011 /nfs/dbraw/zinc/92/40/11/430924011.db2.gz RNNSRFWMQZSPJY-UHFFFAOYSA-N 2 1 309.885 2.766 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2(CCC2)CO1 ZINC000651975731 430929715 /nfs/dbraw/zinc/92/97/15/430929715.db2.gz LWGAIRPVDUTBOK-MRXNPFEDSA-N 2 1 318.461 2.770 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659019814 430941686 /nfs/dbraw/zinc/94/16/86/430941686.db2.gz RIUGMVCQPXNRIV-AWEZNQCLSA-N 2 1 318.465 2.648 20 0 DFADMP CC[C@H](CC(C)C)C(=O)N(C)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648934460 430943051 /nfs/dbraw/zinc/94/30/51/430943051.db2.gz BERXBLWXIFWGKX-SJLPKXTDSA-N 2 1 323.525 2.686 20 0 DFADMP CC[C@H](CC(C)C)C(=O)N(C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648934460 430943053 /nfs/dbraw/zinc/94/30/53/430943053.db2.gz BERXBLWXIFWGKX-SJLPKXTDSA-N 2 1 323.525 2.686 20 0 DFADMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC000655351180 430973495 /nfs/dbraw/zinc/97/34/95/430973495.db2.gz PGRHTBQBMJBMQJ-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)C[C@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(F)cc1 ZINC000652176734 430979711 /nfs/dbraw/zinc/97/97/11/430979711.db2.gz OXBDZWJUVKNHLH-SFHVURJKSA-N 2 1 308.441 2.959 20 0 DFADMP Cc1cccc(Cl)c1CN1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152708 430980117 /nfs/dbraw/zinc/98/01/17/430980117.db2.gz YBRGZDARIRTXFQ-HNNXBMFYSA-N 2 1 308.853 2.679 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN(Cc3cc4ccccc4s3)CC2)C1 ZINC000662152223 430980667 /nfs/dbraw/zinc/98/06/67/430980667.db2.gz AFTGXQFCPNMTQR-MRXNPFEDSA-N 2 1 316.470 2.932 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258115 431019508 /nfs/dbraw/zinc/01/95/08/431019508.db2.gz SCGYBKRWJNMUNQ-ROUUACIJSA-N 2 1 300.446 2.523 20 0 DFADMP C[C@@H](c1nc2ccccc2s1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259134 431020190 /nfs/dbraw/zinc/02/01/90/431020190.db2.gz QRIRJTWYSMAUBP-QWHCGFSZSA-N 2 1 317.458 2.810 20 0 DFADMP C[C@@H](c1nc2ccccc2s1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662259134 431020194 /nfs/dbraw/zinc/02/01/94/431020194.db2.gz QRIRJTWYSMAUBP-QWHCGFSZSA-N 2 1 317.458 2.810 20 0 DFADMP CCO[C@@H]1C[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000662258342 431020346 /nfs/dbraw/zinc/02/03/46/431020346.db2.gz ZPKUFACNUJDSOD-ZWKOTPCHSA-N 2 1 302.462 2.968 20 0 DFADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262043 431022529 /nfs/dbraw/zinc/02/25/29/431022529.db2.gz DATFCFLYKRJOHE-OLZOCXBDSA-N 2 1 309.479 2.528 20 0 DFADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662261908 431022944 /nfs/dbraw/zinc/02/29/44/431022944.db2.gz CGDTUXGMRXMXIX-LJQANCHMSA-N 2 1 310.445 2.711 20 0 DFADMP C[C@H](CC[N@H+](C)CC1=CCSC1)[NH+](C)CC1=CCSC1 ZINC000662268006 431025010 /nfs/dbraw/zinc/02/50/10/431025010.db2.gz LTZODWLCIYQPJN-CQSZACIVSA-N 2 1 312.548 2.975 20 0 DFADMP C[C@H](CC[N@@H+](C)CC1=CCSC1)[NH+](C)CC1=CCSC1 ZINC000662268006 431025014 /nfs/dbraw/zinc/02/50/14/431025014.db2.gz LTZODWLCIYQPJN-CQSZACIVSA-N 2 1 312.548 2.975 20 0 DFADMP C[C@H](CC[NH+](C)CC1=CCSC1)[N@H+](C)CC1=CCSC1 ZINC000662268006 431025018 /nfs/dbraw/zinc/02/50/18/431025018.db2.gz LTZODWLCIYQPJN-CQSZACIVSA-N 2 1 312.548 2.975 20 0 DFADMP C[C@H](CC[NH+](C)CC1=CCSC1)[N@@H+](C)CC1=CCSC1 ZINC000662268006 431025024 /nfs/dbraw/zinc/02/50/24/431025024.db2.gz LTZODWLCIYQPJN-CQSZACIVSA-N 2 1 312.548 2.975 20 0 DFADMP CO[C@@H](C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000662268017 431025592 /nfs/dbraw/zinc/02/55/92/431025592.db2.gz MBSIVWYSEYGDDZ-ZBFHGGJFSA-N 2 1 323.506 2.678 20 0 DFADMP CO[C@@H](C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000662268017 431025598 /nfs/dbraw/zinc/02/55/98/431025598.db2.gz MBSIVWYSEYGDDZ-ZBFHGGJFSA-N 2 1 323.506 2.678 20 0 DFADMP c1ccc(COCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000662271989 431026546 /nfs/dbraw/zinc/02/65/46/431026546.db2.gz ASVAIIFLUFFOSG-MOPGFXCFSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652348224 431027321 /nfs/dbraw/zinc/02/73/21/431027321.db2.gz YEKLOFKKVIJVHR-LFDJNIOPSA-N 2 1 324.509 2.800 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCSc3ccccc3)C2)C1 ZINC000652347976 431027653 /nfs/dbraw/zinc/02/76/53/431027653.db2.gz QOTXLPNNRAXFMI-JZXOWHBKSA-N 2 1 320.502 2.997 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000652351517 431027806 /nfs/dbraw/zinc/02/78/06/431027806.db2.gz BZYLVDLXHDKTEB-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1C ZINC000652351517 431027811 /nfs/dbraw/zinc/02/78/11/431027811.db2.gz BZYLVDLXHDKTEB-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662273010 431028021 /nfs/dbraw/zinc/02/80/21/431028021.db2.gz JIXQEHZJPAIESW-WMZOPIPTSA-N 3 1 313.489 2.544 20 0 DFADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349215 431028652 /nfs/dbraw/zinc/02/86/52/431028652.db2.gz FYOLGGDLUDQBJI-GBESFXJTSA-N 2 1 302.462 2.967 20 0 DFADMP CN(c1nc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1)C1CC1 ZINC000662274453 431029139 /nfs/dbraw/zinc/02/91/39/431029139.db2.gz UIKZJXBYHFTNRZ-UONOGXRCSA-N 2 1 320.506 2.563 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652353827 431029931 /nfs/dbraw/zinc/02/99/31/431029931.db2.gz FBDBXYMFWXRNSX-WMLDXEAASA-N 2 1 303.450 2.637 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652353827 431029934 /nfs/dbraw/zinc/02/99/34/431029934.db2.gz FBDBXYMFWXRNSX-WMLDXEAASA-N 2 1 303.450 2.637 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCOc2ccccc2)C1 ZINC000652361753 431031873 /nfs/dbraw/zinc/03/18/73/431031873.db2.gz OOINDMQIWOSVHY-BHIYHBOVSA-N 2 1 318.461 2.816 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2c(F)cccc2F)C1 ZINC000652363717 431031918 /nfs/dbraw/zinc/03/19/18/431031918.db2.gz LVLSRJXQEKDJQB-DQYPLSBCSA-N 2 1 310.388 2.826 20 0 DFADMP CCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363184 431032078 /nfs/dbraw/zinc/03/20/78/431032078.db2.gz ZXYMPRZPVBPBSI-NUEKZKHPSA-N 2 1 323.506 2.956 20 0 DFADMP CCCc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363184 431032082 /nfs/dbraw/zinc/03/20/82/431032082.db2.gz ZXYMPRZPVBPBSI-NUEKZKHPSA-N 2 1 323.506 2.956 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCCCC2CCOCC2)C1 ZINC000652363537 431033209 /nfs/dbraw/zinc/03/32/09/431033209.db2.gz HEWXYDHXTYJBSZ-QRVBRYPASA-N 2 1 324.509 2.944 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000662286205 431034321 /nfs/dbraw/zinc/03/43/21/431034321.db2.gz POYUNBFUUTWTOR-CADBVGFASA-N 2 1 318.461 2.592 20 0 DFADMP c1coc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)c1 ZINC000662291420 431034752 /nfs/dbraw/zinc/03/47/52/431034752.db2.gz RXMQFRKKSCKEOK-AWEZNQCLSA-N 2 1 316.405 2.541 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662294887 431034883 /nfs/dbraw/zinc/03/48/83/431034883.db2.gz GJZVCWAKAODJHR-IAGOWNOFSA-N 2 1 300.446 2.961 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000662293789 431036009 /nfs/dbraw/zinc/03/60/09/431036009.db2.gz NVCUPOYPMNIZHD-KRWDZBQOSA-N 2 1 317.477 2.919 20 0 DFADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286959 431036082 /nfs/dbraw/zinc/03/60/82/431036082.db2.gz VFQGQVMPMJZWAH-DLBZAZTESA-N 2 1 318.436 2.744 20 0 DFADMP CC(C)(C)c1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291039 431036183 /nfs/dbraw/zinc/03/61/83/431036183.db2.gz NKLUFWLFZQUQDN-CQSZACIVSA-N 2 1 306.454 2.579 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000662286184 431036555 /nfs/dbraw/zinc/03/65/55/431036555.db2.gz PJQHGVBJIUVONS-WJFTUGDTSA-N 2 1 324.509 2.800 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662297777 431037076 /nfs/dbraw/zinc/03/70/76/431037076.db2.gz RQODBPAQCPGQTQ-CQSZACIVSA-N 2 1 308.388 2.667 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)co1 ZINC000662298649 431037199 /nfs/dbraw/zinc/03/71/99/431037199.db2.gz WNJQOZIFYNYKEF-AWEZNQCLSA-N 2 1 316.405 2.541 20 0 DFADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297975 431039125 /nfs/dbraw/zinc/03/91/25/431039125.db2.gz SUGNUSGBHIGIPD-AWEZNQCLSA-N 2 1 306.454 2.579 20 0 DFADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297975 431039129 /nfs/dbraw/zinc/03/91/29/431039129.db2.gz SUGNUSGBHIGIPD-AWEZNQCLSA-N 2 1 306.454 2.579 20 0 DFADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297797 431039148 /nfs/dbraw/zinc/03/91/48/431039148.db2.gz RYJBCORMPWHXJW-AEFFLSMTSA-N 2 1 323.525 2.591 20 0 DFADMP FC(F)(F)c1ccnc([C@@H]2CCC[N@@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000662306059 431040258 /nfs/dbraw/zinc/04/02/58/431040258.db2.gz WPDBGDYHSJNZIP-NEPJUHHUSA-N 2 1 314.355 2.632 20 0 DFADMP FC(F)(F)c1ccnc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)n1 ZINC000662306059 431040261 /nfs/dbraw/zinc/04/02/61/431040261.db2.gz WPDBGDYHSJNZIP-NEPJUHHUSA-N 2 1 314.355 2.632 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313584 431043131 /nfs/dbraw/zinc/04/31/31/431043131.db2.gz IZZSBBIRSBHGKF-BRSBDYLESA-N 2 1 323.525 2.863 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)Cc2cccs2)[C@@H]1CCC[NH3+] ZINC000662316265 431044223 /nfs/dbraw/zinc/04/42/23/431044223.db2.gz VKHWCEYLVSIMOL-GDBMZVCRSA-N 2 1 323.506 2.546 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2ccc(Cl)cn2)[C@@H]1CCC[NH3+] ZINC000662313840 431044546 /nfs/dbraw/zinc/04/45/46/431044546.db2.gz NXJPEMBGANMOKH-TZMCWYRMSA-N 2 1 324.856 2.513 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662316590 431044825 /nfs/dbraw/zinc/04/48/25/431044825.db2.gz XENPQAYVXNUGDA-SJLPKXTDSA-N 2 1 323.525 2.912 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2ccc(F)c(F)c2)CCO1 ZINC000662319996 431045927 /nfs/dbraw/zinc/04/59/27/431045927.db2.gz OHEWCMWGAUMYFW-OAHLLOKOSA-N 2 1 312.404 2.550 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCc2ccc(F)c(F)c2)CCO1 ZINC000662319996 431045931 /nfs/dbraw/zinc/04/59/31/431045931.db2.gz OHEWCMWGAUMYFW-OAHLLOKOSA-N 2 1 312.404 2.550 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2C[C@H]2c2ccccc2)CCO1 ZINC000662324856 431047988 /nfs/dbraw/zinc/04/79/88/431047988.db2.gz ZIGLXGSDYJAWQA-FHWLQOOXSA-N 2 1 302.462 2.833 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)CCO1 ZINC000662325875 431048018 /nfs/dbraw/zinc/04/80/18/431048018.db2.gz RWYBDMRUTFLBCU-FXAWDEMLSA-N 2 1 316.489 2.834 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CCO1 ZINC000662323729 431048085 /nfs/dbraw/zinc/04/80/85/431048085.db2.gz PUPWSUDNCRLYLF-DLBZAZTESA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CCO1 ZINC000662323729 431048090 /nfs/dbraw/zinc/04/80/90/431048090.db2.gz PUPWSUDNCRLYLF-DLBZAZTESA-N 2 1 310.482 2.521 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662319425 431048127 /nfs/dbraw/zinc/04/81/27/431048127.db2.gz MYXXJRRCHFTXHF-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CCOc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662319425 431048131 /nfs/dbraw/zinc/04/81/31/431048131.db2.gz MYXXJRRCHFTXHF-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CCc1cc(N[C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc[nH+]1 ZINC000649269575 431050597 /nfs/dbraw/zinc/05/05/97/431050597.db2.gz JLVFBPNVJUKXCF-QGZVFWFLSA-N 2 1 311.433 2.554 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]1C[NH3+] ZINC000649288740 431058322 /nfs/dbraw/zinc/05/83/22/431058322.db2.gz DCEUJDZYRDWUEZ-QAPCUYQASA-N 2 1 317.477 2.518 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000649312950 431064311 /nfs/dbraw/zinc/06/43/11/431064311.db2.gz OTPBEZYPSMAETD-OAHLLOKOSA-N 2 1 321.490 2.547 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)c2C1 ZINC000649312855 431066111 /nfs/dbraw/zinc/06/61/11/431066111.db2.gz DCTDIRGQTHCUPA-CQSZACIVSA-N 2 1 323.387 2.596 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH2+]CCC3(F)F)c2C1 ZINC000649312855 431066114 /nfs/dbraw/zinc/06/61/14/431066114.db2.gz DCTDIRGQTHCUPA-CQSZACIVSA-N 2 1 323.387 2.596 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000662389514 431068634 /nfs/dbraw/zinc/06/86/34/431068634.db2.gz YGLGJKUAPAISBB-MAUKXSAKSA-N 2 1 317.477 2.675 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)on2)cc1 ZINC000662243247 431013380 /nfs/dbraw/zinc/01/33/80/431013380.db2.gz HEFBAZZEHXUKOI-BLLLJJGKSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H]([NH3+])[C@@H](C)C3)on2)cc1 ZINC000662243247 431013383 /nfs/dbraw/zinc/01/33/83/431013383.db2.gz HEFBAZZEHXUKOI-BLLLJJGKSA-N 2 1 301.390 2.519 20 0 DFADMP c1ccc(C[N@@H+](CC2CCC2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254914 431015117 /nfs/dbraw/zinc/01/51/17/431015117.db2.gz UXKWJMBMEBJWQQ-SFHVURJKSA-N 2 1 300.446 2.810 20 0 DFADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc2C1 ZINC000662255107 431015844 /nfs/dbraw/zinc/01/58/44/431015844.db2.gz WPIHGTXSUADCFR-MOPGFXCFSA-N 2 1 314.473 2.777 20 0 DFADMP C[C@]1(c2ccccc2)CCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662254791 431016199 /nfs/dbraw/zinc/01/61/99/431016199.db2.gz MBKOSIXPNLELHV-ROUUACIJSA-N 2 1 300.446 2.561 20 0 DFADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251492 431016974 /nfs/dbraw/zinc/01/69/74/431016974.db2.gz FRAXMPMMXZUYTK-GOSISDBHSA-N 2 1 302.462 2.708 20 0 DFADMP c1cc(CN2CCC[N@H+](C3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662259994 431018488 /nfs/dbraw/zinc/01/84/88/431018488.db2.gz FUGIRESTUZQCKX-UHFFFAOYSA-N 2 1 313.489 2.783 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260625 431018916 /nfs/dbraw/zinc/01/89/16/431018916.db2.gz NUOOEFVHPUGXOY-UHFFFAOYSA-N 3 1 301.478 2.637 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662260625 431018921 /nfs/dbraw/zinc/01/89/21/431018921.db2.gz NUOOEFVHPUGXOY-UHFFFAOYSA-N 3 1 301.478 2.637 20 0 DFADMP c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256158 431019481 /nfs/dbraw/zinc/01/94/81/431019481.db2.gz HJUHFLUKPSLOMF-ZWKOTPCHSA-N 2 1 300.446 2.605 20 0 DFADMP c1cncc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C2CC2)c1 ZINC000655737979 431108932 /nfs/dbraw/zinc/10/89/32/431108932.db2.gz SNVVRHQPYRUCEA-OALUTQOASA-N 2 1 315.461 2.766 20 0 DFADMP CC(C)C[C@@H]1OCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655756741 431119001 /nfs/dbraw/zinc/11/90/01/431119001.db2.gz XFGQOMDJYAZWRW-OTWHNJEPSA-N 2 1 324.509 2.813 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)c1 ZINC000645800782 431077883 /nfs/dbraw/zinc/07/78/83/431077883.db2.gz WAHBMKIIPYMQAV-DLBZAZTESA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)c1 ZINC000645800782 431077888 /nfs/dbraw/zinc/07/78/88/431077888.db2.gz WAHBMKIIPYMQAV-DLBZAZTESA-N 2 1 303.450 2.941 20 0 DFADMP CC(C)N1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000649501359 431125375 /nfs/dbraw/zinc/12/53/75/431125375.db2.gz HHBQOTZUBCEEFS-SJORKVTESA-N 2 1 304.482 2.640 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@H]1CN(C)C[C@@H]1CCn2ccnc2C1 ZINC000649501359 431125380 /nfs/dbraw/zinc/12/53/80/431125380.db2.gz HHBQOTZUBCEEFS-SJORKVTESA-N 2 1 304.482 2.640 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN(C)C[C@@H]1CCn2ccnc2C1 ZINC000649501359 431125386 /nfs/dbraw/zinc/12/53/86/431125386.db2.gz HHBQOTZUBCEEFS-SJORKVTESA-N 2 1 304.482 2.640 20 0 DFADMP CSc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655764885 431125499 /nfs/dbraw/zinc/12/54/99/431125499.db2.gz UGCHYNLHDQPYEZ-QGZVFWFLSA-N 2 1 320.502 2.794 20 0 DFADMP CC[N@H+](CC(=O)N(C)C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000662451171 431086038 /nfs/dbraw/zinc/08/60/38/431086038.db2.gz SKLBRRIAOYZSSL-UHFFFAOYSA-N 2 1 317.477 2.583 20 0 DFADMP CC[N@@H+](CC(=O)N(C)C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000662451171 431086043 /nfs/dbraw/zinc/08/60/43/431086043.db2.gz SKLBRRIAOYZSSL-UHFFFAOYSA-N 2 1 317.477 2.583 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662458462 431086591 /nfs/dbraw/zinc/08/65/91/431086591.db2.gz MKWZTHVWMWORHJ-WMZOPIPTSA-N 2 1 315.461 2.602 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698198 431086765 /nfs/dbraw/zinc/08/67/65/431086765.db2.gz ZNWRTQQOHXEYEG-BHIYHBOVSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1cccc(C)c1OCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655700665 431089046 /nfs/dbraw/zinc/08/90/46/431089046.db2.gz LAQKSBVDUAXPEA-GOSISDBHSA-N 2 1 318.461 2.525 20 0 DFADMP Cc1ccccc1C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000655707858 431091156 /nfs/dbraw/zinc/09/11/56/431091156.db2.gz GIPOALUZSYOMSF-SFHVURJKSA-N 2 1 314.473 2.870 20 0 DFADMP CCN(C[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000649411856 431092607 /nfs/dbraw/zinc/09/26/07/431092607.db2.gz JYBXDDNGRYZOPN-YQVWRLOYSA-N 2 1 301.478 2.753 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1F ZINC000655713433 431093980 /nfs/dbraw/zinc/09/39/80/431093980.db2.gz MJQCLOBUWIYDOT-MRXNPFEDSA-N 2 1 320.452 2.946 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)n1 ZINC000649413114 431093996 /nfs/dbraw/zinc/09/39/96/431093996.db2.gz LYEHHGLPXMTLMM-ZWKOTPCHSA-N 2 1 304.482 2.744 20 0 DFADMP Cc1csc(N2CC[N@H+](CCCC3CC[NH2+]CC3)C[C@@H]2C)n1 ZINC000649412590 431094465 /nfs/dbraw/zinc/09/44/65/431094465.db2.gz VAIPGFVXPJDJRP-HNNXBMFYSA-N 2 1 322.522 2.742 20 0 DFADMP C[N@H+](CC1=CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645862232 431094885 /nfs/dbraw/zinc/09/48/85/431094885.db2.gz PFFQZZCQUQUEEK-IBGZPJMESA-N 2 1 300.446 2.666 20 0 DFADMP C[N@@H+](CC1=CCCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000645862232 431094891 /nfs/dbraw/zinc/09/48/91/431094891.db2.gz PFFQZZCQUQUEEK-IBGZPJMESA-N 2 1 300.446 2.666 20 0 DFADMP C[NH+](CC1=CCCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000645862232 431094895 /nfs/dbraw/zinc/09/48/95/431094895.db2.gz PFFQZZCQUQUEEK-IBGZPJMESA-N 2 1 300.446 2.666 20 0 DFADMP C[NH+](CC1=CCCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000645862232 431094899 /nfs/dbraw/zinc/09/48/99/431094899.db2.gz PFFQZZCQUQUEEK-IBGZPJMESA-N 2 1 300.446 2.666 20 0 DFADMP C[C@@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655717055 431097119 /nfs/dbraw/zinc/09/71/19/431097119.db2.gz TVJSJNUSJWNHCQ-KXBFYZLASA-N 2 1 318.461 2.556 20 0 DFADMP OCC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655723138 431100899 /nfs/dbraw/zinc/10/08/99/431100899.db2.gz IBHQMWCMBLWXNM-OALUTQOASA-N 2 1 324.509 2.551 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N ZINC000649450897 431104409 /nfs/dbraw/zinc/10/44/09/431104409.db2.gz BXQWCTZBDHOZDP-YJBOKZPZSA-N 2 1 310.445 2.664 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N ZINC000649450897 431104414 /nfs/dbraw/zinc/10/44/14/431104414.db2.gz BXQWCTZBDHOZDP-YJBOKZPZSA-N 2 1 310.445 2.664 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCCO1 ZINC000655733398 431105306 /nfs/dbraw/zinc/10/53/06/431105306.db2.gz MXHDSDRHRBYETJ-QZTJIDSGSA-N 2 1 324.509 2.815 20 0 DFADMP c1ccc(CC2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655735170 431105583 /nfs/dbraw/zinc/10/55/83/431105583.db2.gz RSAONHUNDQNQHE-IBGZPJMESA-N 2 1 314.473 2.852 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC000655733338 431105672 /nfs/dbraw/zinc/10/56/72/431105672.db2.gz LJPFUBSWWGNPSW-MSOLQXFVSA-N 2 1 322.493 2.711 20 0 DFADMP CC1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)Cc2ccccc2C1 ZINC000655737144 431107922 /nfs/dbraw/zinc/10/79/22/431107922.db2.gz VWPUILDOJLDQJC-LJQANCHMSA-N 2 1 314.473 2.634 20 0 DFADMP CC(C)N1CCCC[C@@H]1C[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000649460669 431108388 /nfs/dbraw/zinc/10/83/88/431108388.db2.gz KBLODHVTGIUNID-IAGOWNOFSA-N 2 1 304.482 2.640 20 0 DFADMP c1cncc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000655737978 431108448 /nfs/dbraw/zinc/10/84/48/431108448.db2.gz SNVVRHQPYRUCEA-MOPGFXCFSA-N 2 1 315.461 2.766 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CC1)C1CCCCC1 ZINC000652756867 431127339 /nfs/dbraw/zinc/12/73/39/431127339.db2.gz WXNWFQPMIOQXHQ-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1)C1CCCCC1 ZINC000652756867 431127346 /nfs/dbraw/zinc/12/73/46/431127346.db2.gz WXNWFQPMIOQXHQ-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+](CCCNC(=O)[C@@H]1CCC[N@H+]1C1CC1)C1CCCCC1 ZINC000652756867 431127354 /nfs/dbraw/zinc/12/73/54/431127354.db2.gz WXNWFQPMIOQXHQ-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000373013127 279039474 /nfs/dbraw/zinc/03/94/74/279039474.db2.gz HQSVBMCDQKYUMT-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000373013127 279039475 /nfs/dbraw/zinc/03/94/75/279039475.db2.gz HQSVBMCDQKYUMT-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000373013127 279039477 /nfs/dbraw/zinc/03/94/77/279039477.db2.gz HQSVBMCDQKYUMT-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000264027641 279045607 /nfs/dbraw/zinc/04/56/07/279045607.db2.gz LSHCNVCMXIFJGM-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807651 288103093 /nfs/dbraw/zinc/10/30/93/288103093.db2.gz VAOZAMPYGWQFCR-NONVJHHQSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000124807651 288103096 /nfs/dbraw/zinc/10/30/96/288103096.db2.gz VAOZAMPYGWQFCR-NONVJHHQSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000124807651 288103098 /nfs/dbraw/zinc/10/30/98/288103098.db2.gz VAOZAMPYGWQFCR-NONVJHHQSA-N 2 1 307.457 2.747 20 0 DFADMP CC(C)[C@@H]1C[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655773059 431131478 /nfs/dbraw/zinc/13/14/78/431131478.db2.gz WYMUWNWXCLDFRV-WDSOQIARSA-N 2 1 324.509 2.671 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@@H]1C)c1ccccc1 ZINC000354010708 279140533 /nfs/dbraw/zinc/14/05/33/279140533.db2.gz YAPLNFIWGBTRAU-FUHWJXTLSA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000662622165 431137527 /nfs/dbraw/zinc/13/75/27/431137527.db2.gz PULMNXGDRJAWLY-CVEARBPZSA-N 2 1 317.477 2.702 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354812198 279263791 /nfs/dbraw/zinc/26/37/91/279263791.db2.gz NNIMLGNGQPYZGJ-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354812198 279263796 /nfs/dbraw/zinc/26/37/96/279263796.db2.gz NNIMLGNGQPYZGJ-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354812198 279263798 /nfs/dbraw/zinc/26/37/98/279263798.db2.gz NNIMLGNGQPYZGJ-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266420 279266904 /nfs/dbraw/zinc/26/69/04/279266904.db2.gz NMDURNVAMONPIO-MSOLQXFVSA-N 2 1 317.477 2.588 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361527787 279274243 /nfs/dbraw/zinc/27/42/43/279274243.db2.gz SXNDEHUGSYKCEX-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361527787 279274244 /nfs/dbraw/zinc/27/42/44/279274244.db2.gz SXNDEHUGSYKCEX-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361527787 279274245 /nfs/dbraw/zinc/27/42/45/279274245.db2.gz SXNDEHUGSYKCEX-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000359332253 279305263 /nfs/dbraw/zinc/30/52/63/279305263.db2.gz REDHRYVQIQTCDT-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000236656515 279384751 /nfs/dbraw/zinc/38/47/51/279384751.db2.gz CGIOLFUFIFMQAR-LJQANCHMSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659867216 431162497 /nfs/dbraw/zinc/16/24/97/431162497.db2.gz VJZMUILVMRFFNR-UJMXGEILSA-N 2 1 319.537 2.913 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662695969 431163882 /nfs/dbraw/zinc/16/38/82/431163882.db2.gz RNXCZRBZORDBMX-GASCZTMLSA-N 2 1 321.509 2.521 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662695307 431166150 /nfs/dbraw/zinc/16/61/50/431166150.db2.gz JMQWDJOTMJHOBS-GASCZTMLSA-N 2 1 321.509 2.534 20 0 DFADMP CC(C)CNC(=O)CCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000659878378 431170381 /nfs/dbraw/zinc/17/03/81/431170381.db2.gz ZFZPGGIJNPATDY-UHFFFAOYSA-N 2 1 311.514 2.591 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000646071433 431170632 /nfs/dbraw/zinc/17/06/32/431170632.db2.gz HQBHNMSNWYXUNT-JJRVBVJISA-N 2 1 323.506 2.621 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@H]1CCOC1 ZINC000659878779 431171043 /nfs/dbraw/zinc/17/10/43/431171043.db2.gz QPDWLUBDTLOHJI-CEXWTWQISA-N 2 1 324.509 2.626 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CCC1 ZINC000659907061 431182746 /nfs/dbraw/zinc/18/27/46/431182746.db2.gz VYPFTOQXPVNMRG-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CCC1 ZINC000659907061 431182754 /nfs/dbraw/zinc/18/27/54/431182754.db2.gz VYPFTOQXPVNMRG-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)c1 ZINC000659906750 431183805 /nfs/dbraw/zinc/18/38/05/431183805.db2.gz PGJIEYTVKVZAIJ-KBPBESRZSA-N 2 1 311.376 2.548 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCCc3ccccc31)CCO2 ZINC000646104383 431188005 /nfs/dbraw/zinc/18/80/05/431188005.db2.gz LPQMDOBDNCBNBN-SFHVURJKSA-N 2 1 300.446 2.861 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1ccc(Cl)cc1)CCO2 ZINC000646106949 431193308 /nfs/dbraw/zinc/19/33/08/431193308.db2.gz ZHLNVJKPJXWMJQ-UHFFFAOYSA-N 2 1 308.853 2.679 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662788616 431195340 /nfs/dbraw/zinc/19/53/40/431195340.db2.gz PDBBXZINXNPYAW-XHSDSOJGSA-N 2 1 319.493 2.512 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000659937310 431200569 /nfs/dbraw/zinc/20/05/69/431200569.db2.gz YQOFRPZILOBNJX-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCc1ccc(F)cc1)C1CC1 ZINC000659937310 431200572 /nfs/dbraw/zinc/20/05/72/431200572.db2.gz YQOFRPZILOBNJX-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCc1ccc(F)cc1)C1CC1 ZINC000659937310 431200579 /nfs/dbraw/zinc/20/05/79/431200579.db2.gz YQOFRPZILOBNJX-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CC1 ZINC000659937310 431200586 /nfs/dbraw/zinc/20/05/86/431200586.db2.gz YQOFRPZILOBNJX-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667458 431155621 /nfs/dbraw/zinc/15/56/21/431155621.db2.gz BCUVXVHRKFJIJA-HOTGVXAUSA-N 2 1 309.498 2.521 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667770 431155661 /nfs/dbraw/zinc/15/56/61/431155661.db2.gz DKMIBIFFRNRVQR-CRAIPNDOSA-N 2 1 315.461 2.518 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667770 431155665 /nfs/dbraw/zinc/15/56/65/431155665.db2.gz DKMIBIFFRNRVQR-CRAIPNDOSA-N 2 1 315.461 2.518 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662676178 431159535 /nfs/dbraw/zinc/15/95/35/431159535.db2.gz SRSVBHGPRGGEEE-KRWDZBQOSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2CC2)cc1C ZINC000659946151 431204361 /nfs/dbraw/zinc/20/43/61/431204361.db2.gz DLUYDVFJVYBVEH-IBGZPJMESA-N 2 1 304.478 2.969 20 0 DFADMP Cc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2CC2)cc1C ZINC000659946151 431204366 /nfs/dbraw/zinc/20/43/66/431204366.db2.gz DLUYDVFJVYBVEH-IBGZPJMESA-N 2 1 304.478 2.969 20 0 DFADMP Cc1ccc(C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)cc1C ZINC000659946151 431204373 /nfs/dbraw/zinc/20/43/73/431204373.db2.gz DLUYDVFJVYBVEH-IBGZPJMESA-N 2 1 304.478 2.969 20 0 DFADMP Cc1ccc(C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2CC2)cc1C ZINC000659946151 431204376 /nfs/dbraw/zinc/20/43/76/431204376.db2.gz DLUYDVFJVYBVEH-IBGZPJMESA-N 2 1 304.478 2.969 20 0 DFADMP Cc1cc(F)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000666400653 431214972 /nfs/dbraw/zinc/21/49/72/431214972.db2.gz OERXMURUNLLJKF-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1cc(F)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000666400653 431214975 /nfs/dbraw/zinc/21/49/75/431214975.db2.gz OERXMURUNLLJKF-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000659980829 431220888 /nfs/dbraw/zinc/22/08/88/431220888.db2.gz ZQYAZEDRTCLRCY-UHOSZYNNSA-N 2 1 304.478 2.641 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000659980829 431220895 /nfs/dbraw/zinc/22/08/95/431220895.db2.gz ZQYAZEDRTCLRCY-UHOSZYNNSA-N 2 1 304.478 2.641 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@@H]1C ZINC000659980829 431220899 /nfs/dbraw/zinc/22/08/99/431220899.db2.gz ZQYAZEDRTCLRCY-UHOSZYNNSA-N 2 1 304.478 2.641 20 0 DFADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659983176 431221178 /nfs/dbraw/zinc/22/11/78/431221178.db2.gz GGLFCBKGTGPQFN-INIZCTEOSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000659983176 431221183 /nfs/dbraw/zinc/22/11/83/431221183.db2.gz GGLFCBKGTGPQFN-INIZCTEOSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000659978045 431221369 /nfs/dbraw/zinc/22/13/69/431221369.db2.gz KPNYWIPBDKZFRB-LMMKCTJWSA-N 2 1 307.526 2.628 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1 ZINC000655940590 431226287 /nfs/dbraw/zinc/22/62/87/431226287.db2.gz CZZMCXBNPIGORL-HNNXBMFYSA-N 2 1 308.853 2.836 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@H](O)C23CCCC3)cc1 ZINC000646229206 431234064 /nfs/dbraw/zinc/23/40/64/431234064.db2.gz LOSHEYWJKFTHIP-SFHVURJKSA-N 2 1 318.461 2.506 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000646243263 431236329 /nfs/dbraw/zinc/23/63/29/431236329.db2.gz SDEBCTFGYNIXIW-APWZRJJASA-N 2 1 300.446 2.970 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000646243263 431236337 /nfs/dbraw/zinc/23/63/37/431236337.db2.gz SDEBCTFGYNIXIW-APWZRJJASA-N 2 1 300.446 2.970 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCOc4ccccc43)C2)C1 ZINC000646243263 431236343 /nfs/dbraw/zinc/23/63/43/431236343.db2.gz SDEBCTFGYNIXIW-APWZRJJASA-N 2 1 300.446 2.970 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663005855 431253988 /nfs/dbraw/zinc/25/39/88/431253988.db2.gz YPEOAVWGOQCDEC-ZBFHGGJFSA-N 2 1 315.461 2.558 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297646283 279581502 /nfs/dbraw/zinc/58/15/02/279581502.db2.gz MZQCTOXEQRIXRH-DOTOQJQBSA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@@H](O)CN1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794134 431295323 /nfs/dbraw/zinc/29/53/23/431295323.db2.gz AVFFGQMPVDRMKW-ZWKOTPCHSA-N 2 1 320.452 2.678 20 0 DFADMP CN(C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794134 431295327 /nfs/dbraw/zinc/29/53/27/431295327.db2.gz AVFFGQMPVDRMKW-ZWKOTPCHSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794134 431295336 /nfs/dbraw/zinc/29/53/36/431295336.db2.gz AVFFGQMPVDRMKW-ZWKOTPCHSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794134 431295342 /nfs/dbraw/zinc/29/53/42/431295342.db2.gz AVFFGQMPVDRMKW-ZWKOTPCHSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794134 431295345 /nfs/dbraw/zinc/29/53/45/431295345.db2.gz AVFFGQMPVDRMKW-ZWKOTPCHSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F)C1CC1 ZINC000649794134 431295351 /nfs/dbraw/zinc/29/53/51/431295351.db2.gz AVFFGQMPVDRMKW-ZWKOTPCHSA-N 2 1 320.452 2.678 20 0 DFADMP Cc1ccccc1CN1CCC[N@H+](C[C@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000666619069 431299488 /nfs/dbraw/zinc/29/94/88/431299488.db2.gz UMVGHZXBOPZPNO-MOPGFXCFSA-N 2 1 315.505 2.891 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@]1(CC)CCC[NH2+]1)C1CCCCC1 ZINC000653200871 431306476 /nfs/dbraw/zinc/30/64/76/431306476.db2.gz SFTRZPCEVBVSSM-SFHVURJKSA-N 2 1 309.498 2.680 20 0 DFADMP FC(F)(F)Oc1cccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCC2)c1 ZINC000656200545 431306673 /nfs/dbraw/zinc/30/66/73/431306673.db2.gz ORWKDJGWCHNFPJ-ZDUSSCGKSA-N 2 1 314.351 2.958 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000653200760 431306936 /nfs/dbraw/zinc/30/69/36/431306936.db2.gz PBJUMCMHBWQJLH-DOTOQJQBSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000653279908 431348932 /nfs/dbraw/zinc/34/89/32/431348932.db2.gz JNPCOZZONKUKAI-QAPCUYQASA-N 2 1 311.429 2.972 20 0 DFADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000656281432 431356284 /nfs/dbraw/zinc/35/62/84/431356284.db2.gz XVVFWRVIEYUOIK-GOSISDBHSA-N 2 1 313.445 2.855 20 0 DFADMP FC1(F)C[C@@]12CC[NH+](CCC[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907175 431361186 /nfs/dbraw/zinc/36/11/86/431361186.db2.gz KQOSQEDPMICMGC-BETUJISGSA-N 2 1 306.347 2.839 20 0 DFADMP FC1(F)C[C@@]12CC[N@@H+](CCC[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907175 431361192 /nfs/dbraw/zinc/36/11/92/431361192.db2.gz KQOSQEDPMICMGC-BETUJISGSA-N 2 1 306.347 2.839 20 0 DFADMP FC1(F)C[C@@]12CC[N@H+](CCC[NH+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907175 431361197 /nfs/dbraw/zinc/36/11/97/431361197.db2.gz KQOSQEDPMICMGC-BETUJISGSA-N 2 1 306.347 2.839 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)C[N@H+]2CC[C@@H](C)C2)c1 ZINC000646653341 431362437 /nfs/dbraw/zinc/36/24/37/431362437.db2.gz AGVDYVLLNSDPAL-OAHLLOKOSA-N 2 1 303.450 2.809 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CN)C2CCCCC2)cc1 ZINC000666801074 431364231 /nfs/dbraw/zinc/36/42/31/431364231.db2.gz AOAJYBPQOARUIN-IBGZPJMESA-N 2 1 319.493 2.624 20 0 DFADMP Fc1cccc(COc2ccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)cc2)c1 ZINC000666939577 431413686 /nfs/dbraw/zinc/41/36/86/431413686.db2.gz NUOMIUUOICMFQM-BWTSREIZSA-N 2 1 312.388 2.712 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952132 431422404 /nfs/dbraw/zinc/42/24/04/431422404.db2.gz HHFOTQGOCHDXJH-GOSISDBHSA-N 3 1 315.505 2.876 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666952132 431422409 /nfs/dbraw/zinc/42/24/09/431422409.db2.gz HHFOTQGOCHDXJH-GOSISDBHSA-N 2 1 315.505 2.876 20 0 DFADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344812 431377400 /nfs/dbraw/zinc/37/74/00/431377400.db2.gz XZMLMLRDFFCYJV-KRWDZBQOSA-N 2 1 304.482 2.984 20 0 DFADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344812 431377404 /nfs/dbraw/zinc/37/74/04/431377404.db2.gz XZMLMLRDFFCYJV-KRWDZBQOSA-N 2 1 304.482 2.984 20 0 DFADMP c1cc2c(c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c1)OCO2 ZINC000663347463 431377568 /nfs/dbraw/zinc/37/75/68/431377568.db2.gz LJTSJCHORAGCJC-OAHLLOKOSA-N 2 1 302.418 2.627 20 0 DFADMP c1cc2c(c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)c1)OCO2 ZINC000663347463 431377571 /nfs/dbraw/zinc/37/75/71/431377571.db2.gz LJTSJCHORAGCJC-OAHLLOKOSA-N 2 1 302.418 2.627 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN[C@H](C)c1ccc2ncsc2c1 ZINC000660322457 431379590 /nfs/dbraw/zinc/37/95/90/431379590.db2.gz LGQCUFPPDPFQQN-TZMCWYRMSA-N 2 1 307.463 2.648 20 0 DFADMP Cc1cc(NC(=O)N2CCC[C@@H]([NH2+]C(C)C)C2)cn2cc[nH+]c12 ZINC000653374112 431383155 /nfs/dbraw/zinc/38/31/55/431383155.db2.gz VSRIHDFQCCKIQM-CQSZACIVSA-N 2 1 315.421 2.637 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H]3COC(C)(C)C3)C1)CCCC2 ZINC000660338215 431385902 /nfs/dbraw/zinc/38/59/02/431385902.db2.gz FZPJNLXDAQRODK-HUUCEWRRSA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H]3COC(C)(C)C3)C1)CCCC2 ZINC000660338215 431385905 /nfs/dbraw/zinc/38/59/05/431385905.db2.gz FZPJNLXDAQRODK-HUUCEWRRSA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H]3COC(C)(C)C3)C1)CCCC2 ZINC000660338214 431386139 /nfs/dbraw/zinc/38/61/39/431386139.db2.gz FZPJNLXDAQRODK-GJZGRUSLSA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H]3COC(C)(C)C3)C1)CCCC2 ZINC000660338214 431386145 /nfs/dbraw/zinc/38/61/45/431386145.db2.gz FZPJNLXDAQRODK-GJZGRUSLSA-N 2 1 303.450 2.885 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1OC(F)F ZINC000666855361 431386300 /nfs/dbraw/zinc/38/63/00/431386300.db2.gz NTFBGIXGPUJZHL-GFCCVEGCSA-N 2 1 300.349 2.528 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[NH2+]1 ZINC000666872573 431393871 /nfs/dbraw/zinc/39/38/71/431393871.db2.gz YPURNFXPAXGGLL-BBRMVZONSA-N 2 1 318.852 2.815 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993683 431437382 /nfs/dbraw/zinc/43/73/82/431437382.db2.gz BKYHYXJAACJIMM-INIZCTEOSA-N 2 1 310.445 2.945 20 0 DFADMP c1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c2c(c1)OCCCO2 ZINC000666998500 431439900 /nfs/dbraw/zinc/43/99/00/431439900.db2.gz XKAOZKOLOUSQNH-OAHLLOKOSA-N 2 1 302.418 2.612 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998519 431439976 /nfs/dbraw/zinc/43/99/76/431439976.db2.gz YUECIDOAQLJGEP-GOSISDBHSA-N 2 1 310.445 2.696 20 0 DFADMP c1ccc(-c2ncc(C[NH2+][C@H]3CC[NH2+]C4(CCC4)C3)cn2)cc1 ZINC000666998116 431440109 /nfs/dbraw/zinc/44/01/09/431440109.db2.gz BURGPICOAFSBCC-KRWDZBQOSA-N 2 1 308.429 2.908 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000653573734 431440861 /nfs/dbraw/zinc/44/08/61/431440861.db2.gz LGSMODJNISIBBL-SJORKVTESA-N 2 1 315.461 2.660 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000653573734 431440866 /nfs/dbraw/zinc/44/08/66/431440866.db2.gz LGSMODJNISIBBL-SJORKVTESA-N 2 1 315.461 2.660 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000653573734 431440871 /nfs/dbraw/zinc/44/08/71/431440871.db2.gz LGSMODJNISIBBL-SJORKVTESA-N 2 1 315.461 2.660 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)c(Cl)c1 ZINC000663497559 431442758 /nfs/dbraw/zinc/44/27/58/431442758.db2.gz HJZHVOWGWBUXEV-SFYCDEOASA-N 2 1 321.852 2.707 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@@H+]1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000663493819 431442968 /nfs/dbraw/zinc/44/29/68/431442968.db2.gz KKPXUWQKYQVNFI-UKPHBRMFSA-N 2 1 307.869 2.532 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@H+]1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000663493819 431442975 /nfs/dbraw/zinc/44/29/75/431442975.db2.gz KKPXUWQKYQVNFI-UKPHBRMFSA-N 2 1 307.869 2.532 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](Cn1cccn1)c1ccccc1 ZINC000653582084 431447594 /nfs/dbraw/zinc/44/75/94/431447594.db2.gz WIYRISAHGRRWHW-SFHVURJKSA-N 2 1 309.417 2.580 20 0 DFADMP C[C@H]([NH2+]CCCc1cncn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000653614041 431458870 /nfs/dbraw/zinc/45/88/70/431458870.db2.gz LKKGGVJGPKWZSL-HOTGVXAUSA-N 3 1 304.482 2.595 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000653614041 431458887 /nfs/dbraw/zinc/45/88/87/431458887.db2.gz LKKGGVJGPKWZSL-HOTGVXAUSA-N 3 1 304.482 2.595 20 0 DFADMP Clc1cscc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000666978515 431430665 /nfs/dbraw/zinc/43/06/65/431430665.db2.gz KHQIOJUFVHPFLK-UHFFFAOYSA-N 2 1 313.898 2.708 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000653776342 431519871 /nfs/dbraw/zinc/51/98/71/431519871.db2.gz AIMOCFADBXGEAM-LJQANCHMSA-N 2 1 316.489 2.570 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC2(CCc3ccccc3C2)CC1 ZINC000653776342 431519879 /nfs/dbraw/zinc/51/98/79/431519879.db2.gz AIMOCFADBXGEAM-LJQANCHMSA-N 2 1 316.489 2.570 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CCCC1 ZINC000656788138 431523292 /nfs/dbraw/zinc/52/32/92/431523292.db2.gz DAAOIKYTAIQUIR-UHFFFAOYSA-N 2 1 306.360 2.716 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1([NH3+])CCCC1 ZINC000656788281 431523590 /nfs/dbraw/zinc/52/35/90/431523590.db2.gz HSRJWWYDKPYBAV-UHFFFAOYSA-N 2 1 312.461 2.909 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1C ZINC000656785976 431523919 /nfs/dbraw/zinc/52/39/19/431523919.db2.gz ORSIQAFNNJGNBA-KRWDZBQOSA-N 2 1 304.482 2.731 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[C@H](C)O1 ZINC000647249388 431527487 /nfs/dbraw/zinc/52/74/87/431527487.db2.gz WXIGCEOQLPSQOB-CGHHPOIWSA-N 2 1 302.462 2.877 20 0 DFADMP C[N@H+]1C[C@@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249222 431527832 /nfs/dbraw/zinc/52/78/32/431527832.db2.gz KMXNSCREUASMHC-ZRNYENFQSA-N 2 1 313.489 2.548 20 0 DFADMP C[NH+]1C[C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249222 431527837 /nfs/dbraw/zinc/52/78/37/431527837.db2.gz KMXNSCREUASMHC-ZRNYENFQSA-N 2 1 313.489 2.548 20 0 DFADMP C[NH+]1C[C@@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249222 431527842 /nfs/dbraw/zinc/52/78/42/431527842.db2.gz KMXNSCREUASMHC-ZRNYENFQSA-N 2 1 313.489 2.548 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc3[nH]cnc3c2)[C@H](c2ccccc2)C1 ZINC000647248917 431529601 /nfs/dbraw/zinc/52/96/01/431529601.db2.gz OXMXJGJJLYEADV-MSOLQXFVSA-N 2 1 320.440 2.998 20 0 DFADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)[C@H](c2ccccc2)C1 ZINC000647248917 431529610 /nfs/dbraw/zinc/52/96/10/431529610.db2.gz OXMXJGJJLYEADV-MSOLQXFVSA-N 2 1 320.440 2.998 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccc3nc[nH]c3c2)[C@H](c2ccccc2)C1 ZINC000647248917 431529617 /nfs/dbraw/zinc/52/96/17/431529617.db2.gz OXMXJGJJLYEADV-MSOLQXFVSA-N 2 1 320.440 2.998 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CO1 ZINC000647253216 431531109 /nfs/dbraw/zinc/53/11/09/431531109.db2.gz YHSLKTNPKNLLIV-KBXCAEBGSA-N 2 1 306.425 2.600 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC000656694794 431482168 /nfs/dbraw/zinc/48/21/68/431482168.db2.gz VDLVFDKDPYZHMB-FUHWJXTLSA-N 2 1 308.466 2.683 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000656694794 431482172 /nfs/dbraw/zinc/48/21/72/431482172.db2.gz VDLVFDKDPYZHMB-FUHWJXTLSA-N 2 1 308.466 2.683 20 0 DFADMP Cc1cnc(OC2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000653801508 431532061 /nfs/dbraw/zinc/53/20/61/431532061.db2.gz JOFIQFBCCIYIMZ-MRXNPFEDSA-N 2 1 318.465 2.503 20 0 DFADMP Cc1cnc(OC2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000653801508 431532066 /nfs/dbraw/zinc/53/20/66/431532066.db2.gz JOFIQFBCCIYIMZ-MRXNPFEDSA-N 2 1 318.465 2.503 20 0 DFADMP CSc1cccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000660561155 431493083 /nfs/dbraw/zinc/49/30/83/431493083.db2.gz QGRSJGYMQQSHST-UHFFFAOYSA-N 2 1 309.523 2.724 20 0 DFADMP O[C@]1(C[NH2+]C2CCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000647185671 431499632 /nfs/dbraw/zinc/49/96/32/431499632.db2.gz NBOPXJKDKZNARF-KRWDZBQOSA-N 2 1 324.415 2.791 20 0 DFADMP O[C@]1(C[NH2+]C2CCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000647185671 431499635 /nfs/dbraw/zinc/49/96/35/431499635.db2.gz NBOPXJKDKZNARF-KRWDZBQOSA-N 2 1 324.415 2.791 20 0 DFADMP O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647188209 431502375 /nfs/dbraw/zinc/50/23/75/431502375.db2.gz WGKIDJVVOPGDAT-CEXWTWQISA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647188209 431502380 /nfs/dbraw/zinc/50/23/80/431502380.db2.gz WGKIDJVVOPGDAT-CEXWTWQISA-N 2 1 314.473 2.934 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000647344071 431559810 /nfs/dbraw/zinc/55/98/10/431559810.db2.gz INIVPYLNZLJHGW-DBVUQKKJSA-N 3 1 315.505 2.652 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CN(C)C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000647344071 431559813 /nfs/dbraw/zinc/55/98/13/431559813.db2.gz INIVPYLNZLJHGW-DBVUQKKJSA-N 2 1 315.505 2.652 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661311 431535798 /nfs/dbraw/zinc/53/57/98/431535798.db2.gz CFKZDEFYOGGNJG-NZSAHSFTSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661311 431535801 /nfs/dbraw/zinc/53/58/01/431535801.db2.gz CFKZDEFYOGGNJG-NZSAHSFTSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661311 431535807 /nfs/dbraw/zinc/53/58/07/431535807.db2.gz CFKZDEFYOGGNJG-NZSAHSFTSA-N 2 1 302.462 2.569 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@]3(CC[N@H+](C)C3)C2)c1C ZINC000660658986 431536445 /nfs/dbraw/zinc/53/64/45/431536445.db2.gz LNJVVUNDZSISMI-SFHVURJKSA-N 2 1 303.450 2.625 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1C ZINC000660658986 431536450 /nfs/dbraw/zinc/53/64/50/431536450.db2.gz LNJVVUNDZSISMI-SFHVURJKSA-N 2 1 303.450 2.625 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647288454 431538595 /nfs/dbraw/zinc/53/85/95/431538595.db2.gz DYWGLIDTXBVWNP-RBUKOAKNSA-N 2 1 319.493 2.995 20 0 DFADMP C[NH+](CCN1CCC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000660664180 431538645 /nfs/dbraw/zinc/53/86/45/431538645.db2.gz QLPYQPXIDKHIHI-LJQANCHMSA-N 2 1 301.478 2.536 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000660695709 431553587 /nfs/dbraw/zinc/55/35/87/431553587.db2.gz KWIKKKRXJRPFAQ-OAHLLOKOSA-N 2 1 318.452 2.884 20 0 DFADMP COCCOc1ccccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480692 431601516 /nfs/dbraw/zinc/60/15/16/431601516.db2.gz XLALKDFRISFJCP-FUHWJXTLSA-N 2 1 318.461 2.676 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480692 431601524 /nfs/dbraw/zinc/60/15/24/431601524.db2.gz XLALKDFRISFJCP-FUHWJXTLSA-N 2 1 318.461 2.676 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)OCCCO2 ZINC000647480165 431601541 /nfs/dbraw/zinc/60/15/41/431601541.db2.gz DHCZRBWHEURCHY-RDJZCZTQSA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)OCCCO2 ZINC000647480165 431601547 /nfs/dbraw/zinc/60/15/47/431601547.db2.gz DHCZRBWHEURCHY-RDJZCZTQSA-N 2 1 316.445 2.812 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480622 431602288 /nfs/dbraw/zinc/60/22/88/431602288.db2.gz VHMZCPHSIBOVSG-RDJZCZTQSA-N 2 1 311.429 2.904 20 0 DFADMP CCOCc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC ZINC000647483058 431602597 /nfs/dbraw/zinc/60/25/97/431602597.db2.gz VYFXKQAIKRHTFQ-UHFFFAOYSA-N 2 1 318.461 2.948 20 0 DFADMP COCCOc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480693 431603075 /nfs/dbraw/zinc/60/30/75/431603075.db2.gz XLALKDFRISFJCP-SJLPKXTDSA-N 2 1 318.461 2.676 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480693 431603081 /nfs/dbraw/zinc/60/30/81/431603081.db2.gz XLALKDFRISFJCP-SJLPKXTDSA-N 2 1 318.461 2.676 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000647485675 431603755 /nfs/dbraw/zinc/60/37/55/431603755.db2.gz OPDICBQIYVHIAM-AWEZNQCLSA-N 2 1 314.433 2.517 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000647485675 431603764 /nfs/dbraw/zinc/60/37/64/431603764.db2.gz OPDICBQIYVHIAM-AWEZNQCLSA-N 2 1 314.433 2.517 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1F ZINC000650707846 431652570 /nfs/dbraw/zinc/65/25/70/431652570.db2.gz ODOJOJIOAXBQSN-JLJPHGGASA-N 2 1 322.424 2.553 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650706473 431654110 /nfs/dbraw/zinc/65/41/10/431654110.db2.gz LQHKEOLCBNBRAF-KVSKMBFKSA-N 2 1 318.461 2.722 20 0 DFADMP COc1cc2c(c(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c1)O[C@@H](C)C2 ZINC000650709389 431655517 /nfs/dbraw/zinc/65/55/17/431655517.db2.gz XQJXEDJKLNLJGE-AXHNFQJDSA-N 2 1 316.445 2.579 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)[C@H]1CC[NH3+] ZINC000650711028 431656628 /nfs/dbraw/zinc/65/66/28/431656628.db2.gz GOYKEANZEWAESZ-HOCLYGCPSA-N 2 1 304.434 2.797 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H](C)[C@@H]3CC[NH3+])cnc21 ZINC000650710976 431656747 /nfs/dbraw/zinc/65/67/47/431656747.db2.gz DWOPDHQEHVIEHM-PBHICJAKSA-N 2 1 315.465 2.962 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650709338 431656977 /nfs/dbraw/zinc/65/69/77/431656977.db2.gz SOLCUSWMMQVLRE-HKUYNNGSSA-N 2 1 310.445 2.946 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000650711239 431657214 /nfs/dbraw/zinc/65/72/14/431657214.db2.gz MRVXWKVRPFPEKF-MAUKXSAKSA-N 2 1 306.450 2.661 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000650713434 431659990 /nfs/dbraw/zinc/65/99/90/431659990.db2.gz SLGJSAPPQBMTKF-AEFFLSMTSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000650713434 431659996 /nfs/dbraw/zinc/65/99/96/431659996.db2.gz SLGJSAPPQBMTKF-AEFFLSMTSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc3c(c2)sc(=O)n3C)[C@@H]1CC[NH3+] ZINC000650711839 431660373 /nfs/dbraw/zinc/66/03/73/431660373.db2.gz FZHOYABNYJEUIH-GXTWGEPZSA-N 2 1 319.474 2.549 20 0 DFADMP [NH3+]CC1(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000650713683 431660419 /nfs/dbraw/zinc/66/04/19/431660419.db2.gz ZRMQITJTYRMBLP-UHFFFAOYSA-N 3 1 319.468 2.551 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)CC[C@@H]1[NH3+] ZINC000647497682 431606842 /nfs/dbraw/zinc/60/68/42/431606842.db2.gz RLFYWCPNGWEENC-HIFRSBDPSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)CC[C@@H]1[NH3+] ZINC000647497682 431606850 /nfs/dbraw/zinc/60/68/50/431606850.db2.gz RLFYWCPNGWEENC-HIFRSBDPSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000647498373 431606880 /nfs/dbraw/zinc/60/68/80/431606880.db2.gz GBSJWGCGHDQGKY-WCQYABFASA-N 2 1 302.340 2.986 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000647498373 431606887 /nfs/dbraw/zinc/60/68/87/431606887.db2.gz GBSJWGCGHDQGKY-WCQYABFASA-N 2 1 302.340 2.986 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000660805249 431606874 /nfs/dbraw/zinc/60/68/74/431606874.db2.gz YWOGBLFFRKHGAF-RTBURBONSA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000660805249 431606878 /nfs/dbraw/zinc/60/68/78/431606878.db2.gz YWOGBLFFRKHGAF-RTBURBONSA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000660805249 431606882 /nfs/dbraw/zinc/60/68/82/431606882.db2.gz YWOGBLFFRKHGAF-RTBURBONSA-N 2 1 316.489 2.957 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498881 431609856 /nfs/dbraw/zinc/60/98/56/431609856.db2.gz SNKWQRPYBVYXOF-NVXWUHKLSA-N 2 1 306.450 2.791 20 0 DFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)CC(C)(C)C[NH3+] ZINC000647505972 431610156 /nfs/dbraw/zinc/61/01/56/431610156.db2.gz VYEVJLMWYQBKRW-UHFFFAOYSA-N 3 1 319.493 2.578 20 0 DFADMP CN(Cc1ccc(OCC[NH+]2CCCC2)cc1)CC(C)(C)C[NH3+] ZINC000647505972 431610160 /nfs/dbraw/zinc/61/01/60/431610160.db2.gz VYEVJLMWYQBKRW-UHFFFAOYSA-N 2 1 319.493 2.578 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000647515487 431612244 /nfs/dbraw/zinc/61/22/44/431612244.db2.gz HRPOLKDJJOLTGM-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)o1 ZINC000647511820 431612921 /nfs/dbraw/zinc/61/29/21/431612921.db2.gz ILBQRVANDJHMKZ-CWRNSKLLSA-N 2 1 314.433 2.548 20 0 DFADMP Nc1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532610 431616428 /nfs/dbraw/zinc/61/64/28/431616428.db2.gz UCZVXDHKRMUURE-OALUTQOASA-N 2 1 324.472 2.666 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000647531379 431616724 /nfs/dbraw/zinc/61/67/24/431616724.db2.gz SATTZPUVGHGIRJ-KRWDZBQOSA-N 2 1 304.434 2.558 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000660829747 431617501 /nfs/dbraw/zinc/61/75/01/431617501.db2.gz GKZWZDMKXWBJGU-RTBURBONSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000660829747 431617506 /nfs/dbraw/zinc/61/75/06/431617506.db2.gz GKZWZDMKXWBJGU-RTBURBONSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000660829747 431617508 /nfs/dbraw/zinc/61/75/08/431617508.db2.gz GKZWZDMKXWBJGU-RTBURBONSA-N 2 1 322.468 2.924 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)ccc21 ZINC000647542718 431621913 /nfs/dbraw/zinc/62/19/13/431621913.db2.gz ANVBJMAMMXNFQR-IAGOWNOFSA-N 2 1 312.461 2.785 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543909 431624036 /nfs/dbraw/zinc/62/40/36/431624036.db2.gz UJGUOSIYLMFBOP-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nn1C ZINC000647544534 431625217 /nfs/dbraw/zinc/62/52/17/431625217.db2.gz NRVWHDKQCZHTAZ-UONOGXRCSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1c(Cl)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nn1C ZINC000647544534 431625221 /nfs/dbraw/zinc/62/52/21/431625221.db2.gz NRVWHDKQCZHTAZ-UONOGXRCSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1ccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543328 431625733 /nfs/dbraw/zinc/62/57/33/431625733.db2.gz LALCVKDDOLLADN-SJORKVTESA-N 2 1 312.461 2.854 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543305 431626308 /nfs/dbraw/zinc/62/63/08/431626308.db2.gz KXFWDWZRHBMNQK-CVEARBPZSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@H]2C[NH2+]C[C@@H](C)C2)cc1OC ZINC000647549393 431627617 /nfs/dbraw/zinc/62/76/17/431627617.db2.gz XMZCSKOGWMXFHV-DZGCQCFKSA-N 2 1 306.450 2.569 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1cncc(Br)c1C ZINC000657285588 431647357 /nfs/dbraw/zinc/64/73/57/431647357.db2.gz KBAYYMJNMATIGT-UHFFFAOYSA-N 2 1 314.271 2.974 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(F)c2)C1 ZINC000650723512 431664666 /nfs/dbraw/zinc/66/46/66/431664666.db2.gz PLXZDDXLKDKVRC-IXDOHACOSA-N 2 1 310.388 2.826 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650721855 431665259 /nfs/dbraw/zinc/66/52/59/431665259.db2.gz DGYDTMVZIXGVIE-LMMKCTJWSA-N 2 1 318.461 2.864 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657311433 431666403 /nfs/dbraw/zinc/66/64/03/431666403.db2.gz KHPWYYKBZQEQSG-HNNXBMFYSA-N 2 1 304.482 2.899 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H]1CNc1cc(N2CCCCC2)ncn1 ZINC000664138244 431667622 /nfs/dbraw/zinc/66/76/22/431667622.db2.gz MPUSGGFKTQEJEC-CQSZACIVSA-N 2 1 303.454 2.752 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(F)c1 ZINC000650724345 431668881 /nfs/dbraw/zinc/66/88/81/431668881.db2.gz DESWPMPNYCEKAU-ZTFGCOKTSA-N 2 1 322.424 2.695 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650724507 431669304 /nfs/dbraw/zinc/66/93/04/431669304.db2.gz HWQDBTARPOJIMT-OTWHNJEPSA-N 2 1 317.477 2.683 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000650741447 431675985 /nfs/dbraw/zinc/67/59/85/431675985.db2.gz DRNYNPGWBWLYPP-RHQZKXFESA-N 2 1 300.446 2.598 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000650741445 431676045 /nfs/dbraw/zinc/67/60/45/431676045.db2.gz DRNYNPGWBWLYPP-NTZUZEMLSA-N 2 1 300.446 2.598 20 0 DFADMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650746097 431677518 /nfs/dbraw/zinc/67/75/18/431677518.db2.gz VZVKYJPWFXFRJX-SJLPKXTDSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000650746097 431677526 /nfs/dbraw/zinc/67/75/26/431677526.db2.gz VZVKYJPWFXFRJX-SJLPKXTDSA-N 2 1 301.478 2.616 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@@H](C)C3)c2)CO1 ZINC000657329029 431679422 /nfs/dbraw/zinc/67/94/22/431679422.db2.gz HLOIRVSHJWJDRJ-ZYSHUDEJSA-N 2 1 318.461 2.564 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@@H](C)C3)c2)CO1 ZINC000657329029 431679427 /nfs/dbraw/zinc/67/94/27/431679427.db2.gz HLOIRVSHJWJDRJ-ZYSHUDEJSA-N 2 1 318.461 2.564 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000650755938 431683068 /nfs/dbraw/zinc/68/30/68/431683068.db2.gz PUAIBKWKMJLFHD-RYQLBKOJSA-N 3 1 305.441 2.685 20 0 DFADMP c1nn2c(c1C[NH2+]C1CC[NH+](CC3CCCC3)CC1)CCC2 ZINC000657335881 431684370 /nfs/dbraw/zinc/68/43/70/431684370.db2.gz KXCSSFGGLACCLF-UHFFFAOYSA-N 2 1 302.466 2.574 20 0 DFADMP Fc1c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cccc1OC1CC1 ZINC000657340550 431686899 /nfs/dbraw/zinc/68/68/99/431686899.db2.gz PTLGUTMVRXVFJD-CYBMUJFWSA-N 2 1 301.365 2.668 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790095 431687481 /nfs/dbraw/zinc/68/74/81/431687481.db2.gz RIGYDTJIAFMZOF-MTHXSQLBSA-N 3 1 307.526 2.722 20 0 DFADMP Cc1nc2ccccc2nc1N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000664196115 431693222 /nfs/dbraw/zinc/69/32/22/431693222.db2.gz GYKMXYWEOHUWFG-AWEZNQCLSA-N 2 1 315.465 2.622 20 0 DFADMP Cc1nc2ccccc2nc1N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000664196115 431693227 /nfs/dbraw/zinc/69/32/27/431693227.db2.gz GYKMXYWEOHUWFG-AWEZNQCLSA-N 2 1 315.465 2.622 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000647809461 431695788 /nfs/dbraw/zinc/69/57/88/431695788.db2.gz UXVSOKZLUFBEQA-ZDUSSCGKSA-N 2 1 312.417 2.681 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647902679 431724441 /nfs/dbraw/zinc/72/44/41/431724441.db2.gz BCNZMMMHIKDUJN-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647902685 431724658 /nfs/dbraw/zinc/72/46/58/431724658.db2.gz BCNZMMMHIKDUJN-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP CC[N@@H+](CCOCc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000647913344 431725149 /nfs/dbraw/zinc/72/51/49/431725149.db2.gz ZWZYLEKILNSBQV-KRWDZBQOSA-N 2 1 306.450 2.676 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000647912754 431726042 /nfs/dbraw/zinc/72/60/42/431726042.db2.gz YWKZBMPTBZNJDJ-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@](C)(C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912754 431726049 /nfs/dbraw/zinc/72/60/49/431726049.db2.gz YWKZBMPTBZNJDJ-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912754 431726055 /nfs/dbraw/zinc/72/60/55/431726055.db2.gz YWKZBMPTBZNJDJ-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@](C)(C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912754 431726061 /nfs/dbraw/zinc/72/60/61/431726061.db2.gz YWKZBMPTBZNJDJ-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@](C)(C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912754 431726066 /nfs/dbraw/zinc/72/60/66/431726066.db2.gz YWKZBMPTBZNJDJ-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657412744 431735653 /nfs/dbraw/zinc/73/56/53/431735653.db2.gz DFGZUFSDELBIRV-QGZVFWFLSA-N 2 1 304.482 2.751 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657412744 431735659 /nfs/dbraw/zinc/73/56/59/431735659.db2.gz DFGZUFSDELBIRV-QGZVFWFLSA-N 2 1 304.482 2.751 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(F)c2C)CC[C@@H]1[NH3+] ZINC000647936284 431735978 /nfs/dbraw/zinc/73/59/78/431735978.db2.gz AUWAIHCCACIWGY-HIFRSBDPSA-N 2 1 307.413 2.522 20 0 DFADMP CC[C@@H]1C[N@@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC[C@@H]1[NH3+] ZINC000647938860 431738883 /nfs/dbraw/zinc/73/88/83/431738883.db2.gz WFRZGMVTFHIVCK-LHHMISFZSA-N 2 1 317.477 2.620 20 0 DFADMP CC[C@@H]1C[N@H+]([C@H](C)C(=O)N[C@@H](C)c2ccccc2C)CC[C@@H]1[NH3+] ZINC000647938860 431738890 /nfs/dbraw/zinc/73/88/90/431738890.db2.gz WFRZGMVTFHIVCK-LHHMISFZSA-N 2 1 317.477 2.620 20 0 DFADMP CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960385 431750710 /nfs/dbraw/zinc/75/07/10/431750710.db2.gz WCQABINCEMSYII-NVXWUHKLSA-N 2 1 308.466 2.779 20 0 DFADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960385 431750713 /nfs/dbraw/zinc/75/07/13/431750713.db2.gz WCQABINCEMSYII-NVXWUHKLSA-N 2 1 308.466 2.779 20 0 DFADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960385 431750717 /nfs/dbraw/zinc/75/07/17/431750717.db2.gz WCQABINCEMSYII-NVXWUHKLSA-N 2 1 308.466 2.779 20 0 DFADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960385 431750722 /nfs/dbraw/zinc/75/07/22/431750722.db2.gz WCQABINCEMSYII-NVXWUHKLSA-N 2 1 308.466 2.779 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1 ZINC000647962294 431751518 /nfs/dbraw/zinc/75/15/18/431751518.db2.gz XROWLURYSNAWBJ-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000647962294 431751525 /nfs/dbraw/zinc/75/15/25/431751525.db2.gz XROWLURYSNAWBJ-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000647962294 431751528 /nfs/dbraw/zinc/75/15/28/431751528.db2.gz XROWLURYSNAWBJ-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000647965030 431753946 /nfs/dbraw/zinc/75/39/46/431753946.db2.gz COTMOYJGBUNMNB-IXDOHACOSA-N 2 1 314.514 2.603 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000647965030 431753952 /nfs/dbraw/zinc/75/39/52/431753952.db2.gz COTMOYJGBUNMNB-IXDOHACOSA-N 2 1 314.514 2.603 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H]1C[C@@H](OCC)C1(C)C ZINC000647965030 431753958 /nfs/dbraw/zinc/75/39/58/431753958.db2.gz COTMOYJGBUNMNB-IXDOHACOSA-N 2 1 314.514 2.603 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966568 431754477 /nfs/dbraw/zinc/75/44/77/431754477.db2.gz ZJKBHSOPIRPCLN-IAGOWNOFSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966568 431754481 /nfs/dbraw/zinc/75/44/81/431754481.db2.gz ZJKBHSOPIRPCLN-IAGOWNOFSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966568 431754486 /nfs/dbraw/zinc/75/44/86/431754486.db2.gz ZJKBHSOPIRPCLN-IAGOWNOFSA-N 2 1 323.525 2.545 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](CCc1cccc(F)c1)C1CC1 ZINC000647963894 431756254 /nfs/dbraw/zinc/75/62/54/431756254.db2.gz GSKJCBPXDKTASV-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](CCc1cccc(F)c1)C1CC1 ZINC000647963894 431756261 /nfs/dbraw/zinc/75/62/61/431756261.db2.gz GSKJCBPXDKTASV-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000647963894 431756268 /nfs/dbraw/zinc/75/62/68/431756268.db2.gz GSKJCBPXDKTASV-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000647963894 431756274 /nfs/dbraw/zinc/75/62/74/431756274.db2.gz GSKJCBPXDKTASV-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP COCC[N@@H+](CCCC1CC[NH2+]CC1)CCc1ccccc1 ZINC000647879519 431715886 /nfs/dbraw/zinc/71/58/86/431715886.db2.gz GPLGYUXKFCWZRB-UHFFFAOYSA-N 2 1 304.478 2.957 20 0 DFADMP CC(C)(C)C(=O)NC[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647884645 431717992 /nfs/dbraw/zinc/71/79/92/431717992.db2.gz TWBPHOVHFQBGAA-QGZVFWFLSA-N 2 1 323.525 2.641 20 0 DFADMP c1cc(C[N@H+](C[C@@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCC2 ZINC000647884415 431718153 /nfs/dbraw/zinc/71/81/53/431718153.db2.gz MNSITIOCDKWRAK-MRXNPFEDSA-N 2 1 300.446 2.976 20 0 DFADMP OCC[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCc2ccccc21 ZINC000647884942 431718935 /nfs/dbraw/zinc/71/89/35/431718935.db2.gz OJBSJXJQBJFVDM-IBGZPJMESA-N 2 1 302.462 2.748 20 0 DFADMP Fc1cccc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647884124 431719250 /nfs/dbraw/zinc/71/92/50/431719250.db2.gz MWHVZTPOOWFWDA-SFHVURJKSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1cccc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647884124 431719252 /nfs/dbraw/zinc/71/92/52/431719252.db2.gz MWHVZTPOOWFWDA-SFHVURJKSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1cccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647884123 431719309 /nfs/dbraw/zinc/71/93/09/431719309.db2.gz MWHVZTPOOWFWDA-GOSISDBHSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1cccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)c1 ZINC000647884123 431719312 /nfs/dbraw/zinc/71/93/12/431719312.db2.gz MWHVZTPOOWFWDA-GOSISDBHSA-N 2 1 306.425 2.979 20 0 DFADMP Cc1c(Br)cncc1CN[C@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000657390460 431721376 /nfs/dbraw/zinc/72/13/76/431721376.db2.gz YAISZLPMNXXDBG-MFKMUULPSA-N 2 1 324.266 2.867 20 0 DFADMP CC(C)Cn1nccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000648035746 431792783 /nfs/dbraw/zinc/79/27/83/431792783.db2.gz OIPOVLFGNZZMHH-KRWDZBQOSA-N 2 1 304.482 2.703 20 0 DFADMP COC[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000657552166 431805848 /nfs/dbraw/zinc/80/58/48/431805848.db2.gz BMNOSUUKKGJFDP-WDSOQIARSA-N 2 1 320.477 2.681 20 0 DFADMP COC[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000657552166 431805854 /nfs/dbraw/zinc/80/58/54/431805854.db2.gz BMNOSUUKKGJFDP-WDSOQIARSA-N 2 1 320.477 2.681 20 0 DFADMP C/C(=C/c1ccccc1)C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071471 431807502 /nfs/dbraw/zinc/80/75/02/431807502.db2.gz DLTNRBNLVXLLNF-VKAVYKQESA-N 2 1 300.446 2.887 20 0 DFADMP C/C(=C/c1ccccc1)C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071471 431807505 /nfs/dbraw/zinc/80/75/05/431807505.db2.gz DLTNRBNLVXLLNF-VKAVYKQESA-N 2 1 300.446 2.887 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C/c1ccc(F)cc1F)CCO2 ZINC000648072285 431808098 /nfs/dbraw/zinc/80/80/98/431808098.db2.gz VOXPWOZPSOAKKR-NSCUHMNNSA-N 2 1 322.399 2.775 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C/c1ccc(F)cc1F)CCO2 ZINC000648072285 431808100 /nfs/dbraw/zinc/80/81/00/431808100.db2.gz VOXPWOZPSOAKKR-NSCUHMNNSA-N 2 1 322.399 2.775 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3cnccc3c1)CCO2 ZINC000648071972 431809675 /nfs/dbraw/zinc/80/96/75/431809675.db2.gz DTBQXUSHRRGMRH-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP FC(F)(F)c1csc([C@@H]2CCC[N@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647989676 431766053 /nfs/dbraw/zinc/76/60/53/431766053.db2.gz WECXKRGNKJOSPP-GHMZBOCLSA-N 2 1 319.396 2.951 20 0 DFADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+]C3)C2)n1 ZINC000647989676 431766056 /nfs/dbraw/zinc/76/60/56/431766056.db2.gz WECXKRGNKJOSPP-GHMZBOCLSA-N 2 1 319.396 2.951 20 0 DFADMP CCc1nc(C2([NH2+]CCCC3CC[NH2+]CC3)CCCC2)no1 ZINC000647991603 431766247 /nfs/dbraw/zinc/76/62/47/431766247.db2.gz QTMDNFSYGHOJDR-UHFFFAOYSA-N 2 1 306.454 2.771 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000657470887 431771628 /nfs/dbraw/zinc/77/16/28/431771628.db2.gz WHGFIHJPFCAPLM-XYJFISCASA-N 2 1 322.497 2.598 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000657470887 431771635 /nfs/dbraw/zinc/77/16/35/431771635.db2.gz WHGFIHJPFCAPLM-XYJFISCASA-N 2 1 322.497 2.598 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCc2ccccc2C(C)(C)C1 ZINC000661214462 431781998 /nfs/dbraw/zinc/78/19/98/431781998.db2.gz ABURGSTZOPJWPF-QGZVFWFLSA-N 2 1 304.478 2.523 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661214462 431782004 /nfs/dbraw/zinc/78/20/04/431782004.db2.gz ABURGSTZOPJWPF-QGZVFWFLSA-N 2 1 304.478 2.523 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661214462 431782009 /nfs/dbraw/zinc/78/20/09/431782009.db2.gz ABURGSTZOPJWPF-QGZVFWFLSA-N 2 1 304.478 2.523 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000657491858 431782064 /nfs/dbraw/zinc/78/20/64/431782064.db2.gz LJZRKXSMMDZQHX-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP Cc1ccsc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595293 431820246 /nfs/dbraw/zinc/82/02/46/431820246.db2.gz OJXSVEFQFREJNR-KRWDZBQOSA-N 2 1 316.470 2.913 20 0 DFADMP C[N@H+]1C[C@@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000664570343 431821915 /nfs/dbraw/zinc/82/19/15/431821915.db2.gz FLMDMUWPACBUJI-VQTJNVASSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000664570343 431821920 /nfs/dbraw/zinc/82/19/20/431821920.db2.gz FLMDMUWPACBUJI-VQTJNVASSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000664570343 431821924 /nfs/dbraw/zinc/82/19/24/431821924.db2.gz FLMDMUWPACBUJI-VQTJNVASSA-N 2 1 313.489 2.808 20 0 DFADMP CC[C@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000648163189 431829971 /nfs/dbraw/zinc/82/99/71/431829971.db2.gz GMOWEHPNQDKEKJ-KRWDZBQOSA-N 2 1 317.477 2.627 20 0 DFADMP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657657132 431833609 /nfs/dbraw/zinc/83/36/09/431833609.db2.gz WBMDWUHOMFLKGH-RDGPPVDQSA-N 2 1 300.446 2.776 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[C@@H]3OCC[N@H+](C)[C@H]3C2)c1C ZINC000284936696 282073779 /nfs/dbraw/zinc/07/37/79/282073779.db2.gz JEWQZKXKTKAPFU-ROUUACIJSA-N 2 1 311.429 2.761 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)ccc1F ZINC000153718909 289057032 /nfs/dbraw/zinc/05/70/32/289057032.db2.gz DFYJFXVQWOAKRZ-GOEBONIOSA-N 2 1 324.440 2.722 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000314871848 289061002 /nfs/dbraw/zinc/06/10/02/289061002.db2.gz YLRZTDFVHBASPF-CHWSQXEVSA-N 2 1 308.388 2.950 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc([S@@](C)=O)cc1 ZINC000353648231 290016315 /nfs/dbraw/zinc/01/63/15/290016315.db2.gz UMBFEPGPJGQDNA-RUDSMXOYSA-N 2 1 320.502 2.947 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc([S@](C)=O)cc1 ZINC000353648232 290016480 /nfs/dbraw/zinc/01/64/80/290016480.db2.gz UMBFEPGPJGQDNA-URYOQXOESA-N 2 1 320.502 2.947 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261765160 290391540 /nfs/dbraw/zinc/39/15/40/290391540.db2.gz NXHJFKRXDKXPBR-XWTMOSNGSA-N 2 1 321.509 2.617 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000436499940 297007029 /nfs/dbraw/zinc/00/70/29/297007029.db2.gz YFICQGFZIDHFNS-HNNXBMFYSA-N 2 1 304.438 2.812 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437870767 297073032 /nfs/dbraw/zinc/07/30/32/297073032.db2.gz SSLAZBQQFCQNKG-NUJGCVRESA-N 2 1 321.509 2.773 20 0 DFADMP C[N@@H+](CC[C@H]1CCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000438112030 297081011 /nfs/dbraw/zinc/08/10/11/297081011.db2.gz YCFXZFIMGGMXDU-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC[C@H]1CCOC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000438112030 297081012 /nfs/dbraw/zinc/08/10/12/297081012.db2.gz YCFXZFIMGGMXDU-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CC[C@H]1CCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000438112030 297081013 /nfs/dbraw/zinc/08/10/13/297081013.db2.gz YCFXZFIMGGMXDU-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H]2CCCCC(F)(F)C2)CC1 ZINC000495024218 299897937 /nfs/dbraw/zinc/89/79/37/299897937.db2.gz CJQMTQHIFKKEEK-AWEZNQCLSA-N 2 1 304.425 2.902 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1F ZINC000282347949 295207434 /nfs/dbraw/zinc/20/74/34/295207434.db2.gz PEALERNJXDWSQA-CQSZACIVSA-N 2 1 323.456 2.511 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1CC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000261731418 295314620 /nfs/dbraw/zinc/31/46/20/295314620.db2.gz KYYZFGFZXQUKIU-ZWKOTPCHSA-N 2 1 321.509 2.619 20 0 DFADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CCCCC3)CC2)C[N@H+]1C1CC1 ZINC000157547830 295349909 /nfs/dbraw/zinc/34/99/09/295349909.db2.gz YOVJSIVZEPOSLO-DOTOQJQBSA-N 2 1 305.510 2.998 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000158144275 295358850 /nfs/dbraw/zinc/35/88/50/295358850.db2.gz PLHULKAATNACGL-HOTGVXAUSA-N 2 1 306.450 2.704 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000158679601 295366152 /nfs/dbraw/zinc/36/61/52/295366152.db2.gz YTJKOPXHIRFGGH-IXDOHACOSA-N 2 1 311.514 2.591 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1SC ZINC000377493561 295477205 /nfs/dbraw/zinc/47/72/05/295477205.db2.gz GUROYXSXRWHCQY-CYBMUJFWSA-N 2 1 303.431 2.718 20 0 DFADMP C[C@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CCC[NH2+]1 ZINC000400328838 295496906 /nfs/dbraw/zinc/49/69/06/295496906.db2.gz CGYUQFXQEADJEW-GXSJLCMTSA-N 2 1 303.269 2.783 20 0 DFADMP CC[C@@H]1C[NH+](C/C=C\C[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470874 297127211 /nfs/dbraw/zinc/12/72/11/297127211.db2.gz FEFBBCSJGLFIGL-OSFIAYCASA-N 2 1 310.482 2.544 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439477413 297128266 /nfs/dbraw/zinc/12/82/66/297128266.db2.gz UUDVKNUDVVYQOV-MAUKXSAKSA-N 2 1 319.449 2.635 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC(C)(C)C)C1 ZINC000439477413 297128268 /nfs/dbraw/zinc/12/82/68/297128268.db2.gz UUDVKNUDVVYQOV-MAUKXSAKSA-N 2 1 319.449 2.635 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](C)C[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439486706 297128455 /nfs/dbraw/zinc/12/84/55/297128455.db2.gz MZOHQGJHPARPMA-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@@H](C)C[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439486706 297128457 /nfs/dbraw/zinc/12/84/57/297128457.db2.gz MZOHQGJHPARPMA-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](C)C[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439486706 297128459 /nfs/dbraw/zinc/12/84/59/297128459.db2.gz MZOHQGJHPARPMA-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1NCCCc1nc2ccccc2[nH]1 ZINC000439969324 297141836 /nfs/dbraw/zinc/14/18/36/297141836.db2.gz QRSGWHDHRUYSKQ-UHFFFAOYSA-N 2 1 324.384 2.601 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440268889 297149211 /nfs/dbraw/zinc/14/92/11/297149211.db2.gz NXIGJTJBUIZNRE-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440268889 297149213 /nfs/dbraw/zinc/14/92/13/297149213.db2.gz NXIGJTJBUIZNRE-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440268889 297149215 /nfs/dbraw/zinc/14/92/15/297149215.db2.gz NXIGJTJBUIZNRE-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440268887 297149416 /nfs/dbraw/zinc/14/94/16/297149416.db2.gz NXIGJTJBUIZNRE-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440268887 297149418 /nfs/dbraw/zinc/14/94/18/297149418.db2.gz NXIGJTJBUIZNRE-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440268887 297149420 /nfs/dbraw/zinc/14/94/20/297149420.db2.gz NXIGJTJBUIZNRE-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000440818194 297166497 /nfs/dbraw/zinc/16/64/97/297166497.db2.gz GMMZXVFHAYZELP-UHFFFAOYSA-N 2 1 301.316 2.503 20 0 DFADMP CCc1ccc(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000441262303 297177773 /nfs/dbraw/zinc/17/77/73/297177773.db2.gz VPVRWUWAHFEAEV-VAMGGRTRSA-N 2 1 316.489 2.975 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000441349993 297180442 /nfs/dbraw/zinc/18/04/42/297180442.db2.gz HCULDVDWCIYKKO-KBPBESRZSA-N 2 1 321.431 2.723 20 0 DFADMP CC[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000441347279 297180585 /nfs/dbraw/zinc/18/05/85/297180585.db2.gz AANWXSXUECQIFR-KRWDZBQOSA-N 2 1 303.494 2.796 20 0 DFADMP C[NH+](C)[C@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000442630479 297198336 /nfs/dbraw/zinc/19/83/36/297198336.db2.gz VPXBWXRJHXYBKO-BBRMVZONSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750991 297204222 /nfs/dbraw/zinc/20/42/22/297204222.db2.gz BKMYLKATYPWJCE-LSDHHAIUSA-N 2 1 311.429 2.838 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000442764703 297205182 /nfs/dbraw/zinc/20/51/82/297205182.db2.gz DAZRTAKFQNSISN-ZOBORPQBSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000442764703 297205183 /nfs/dbraw/zinc/20/51/83/297205183.db2.gz DAZRTAKFQNSISN-ZOBORPQBSA-N 2 1 323.868 2.575 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442787612 297206154 /nfs/dbraw/zinc/20/61/54/297206154.db2.gz HLBHTCMYXVAQGM-KKUMJFAQSA-N 2 1 317.477 2.808 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442787612 297206156 /nfs/dbraw/zinc/20/61/56/297206156.db2.gz HLBHTCMYXVAQGM-KKUMJFAQSA-N 2 1 317.477 2.808 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000442869975 297208695 /nfs/dbraw/zinc/20/86/95/297208695.db2.gz CDAMLYLNYKUQCS-AWEZNQCLSA-N 2 1 317.468 2.816 20 0 DFADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442887948 297209572 /nfs/dbraw/zinc/20/95/72/297209572.db2.gz CFPSREDOGRWDSV-KSSFIOAISA-N 2 1 319.468 2.675 20 0 DFADMP COc1ccc(OC(F)F)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442919363 297211122 /nfs/dbraw/zinc/21/11/22/297211122.db2.gz IQOQPELWSFPASR-GFCCVEGCSA-N 2 1 314.376 2.857 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056084 297213656 /nfs/dbraw/zinc/21/36/56/297213656.db2.gz CABZRZQBGXDROK-NEPJUHHUSA-N 2 1 306.435 2.920 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057147 297213901 /nfs/dbraw/zinc/21/39/01/297213901.db2.gz FREILSFAPHXXFU-CQSZACIVSA-N 2 1 307.413 2.524 20 0 DFADMP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058076 297213933 /nfs/dbraw/zinc/21/39/33/297213933.db2.gz JAEDOUACMNGOEK-KGLIPLIRSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061997 297214267 /nfs/dbraw/zinc/21/42/67/297214267.db2.gz SYKOHNDAGDOHMH-CQSZACIVSA-N 2 1 321.490 2.798 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443062278 297214364 /nfs/dbraw/zinc/21/43/64/297214364.db2.gz UFVVHZMNKUIIQD-ZIAGYGMSSA-N 2 1 307.413 2.522 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000443060630 297214436 /nfs/dbraw/zinc/21/44/36/297214436.db2.gz PKDPOWOUQQEGSB-KRWDZBQOSA-N 2 1 309.498 2.524 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060702 297214517 /nfs/dbraw/zinc/21/45/17/297214517.db2.gz PRKSPCJOFSFSLG-CHWSQXEVSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060702 297214519 /nfs/dbraw/zinc/21/45/19/297214519.db2.gz PRKSPCJOFSFSLG-CHWSQXEVSA-N 2 1 309.841 2.728 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000443068360 297214660 /nfs/dbraw/zinc/21/46/60/297214660.db2.gz HVYZPMKAFYXBSV-AWEZNQCLSA-N 2 1 302.397 2.572 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065974 297214745 /nfs/dbraw/zinc/21/47/45/297214745.db2.gz DCBSJTXFBOGJPP-OLZOCXBDSA-N 2 1 309.841 2.728 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCN(c3ccc(Cl)cc3)C2=O)C1 ZINC000443065991 297214775 /nfs/dbraw/zinc/21/47/75/297214775.db2.gz DDAJYNJWHISNPI-CJNGLKHVSA-N 2 1 321.852 2.506 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443078672 297215745 /nfs/dbraw/zinc/21/57/45/297215745.db2.gz XIOYXOZKHMXSSC-JKSUJKDBSA-N 2 1 303.450 2.691 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1NCC[N@H+]1CCCOCC1 ZINC000445661413 297264513 /nfs/dbraw/zinc/26/45/13/297264513.db2.gz GDEWLHQRXPBBBZ-UHFFFAOYSA-N 2 1 313.445 2.662 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cncn1Cc1ccccc1 ZINC000445816283 297267607 /nfs/dbraw/zinc/26/76/07/297267607.db2.gz VBQQOHCBYBCQDW-UHFFFAOYSA-N 2 1 323.444 2.958 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cncn1Cc1ccccc1 ZINC000445816283 297267609 /nfs/dbraw/zinc/26/76/09/297267609.db2.gz VBQQOHCBYBCQDW-UHFFFAOYSA-N 2 1 323.444 2.958 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)CC[N@H+]1C ZINC000153582579 297283544 /nfs/dbraw/zinc/28/35/44/297283544.db2.gz RQWLUOJBGANLOK-AEFFLSMTSA-N 2 1 302.462 2.807 20 0 DFADMP Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)nc1 ZINC000447314375 297300821 /nfs/dbraw/zinc/30/08/21/297300821.db2.gz UYWBJRQARIPJMH-INIZCTEOSA-N 2 1 318.465 2.525 20 0 DFADMP Cc1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)nc1 ZINC000447314375 297300822 /nfs/dbraw/zinc/30/08/22/297300822.db2.gz UYWBJRQARIPJMH-INIZCTEOSA-N 2 1 318.465 2.525 20 0 DFADMP Cc1ccc(NC(=O)CC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)nc1 ZINC000447314375 297300824 /nfs/dbraw/zinc/30/08/24/297300824.db2.gz UYWBJRQARIPJMH-INIZCTEOSA-N 2 1 318.465 2.525 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447454403 297304405 /nfs/dbraw/zinc/30/44/05/297304405.db2.gz XTJHWAQRVMTHHH-MJGOQNOKSA-N 2 1 317.477 2.631 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)c(C)o1 ZINC000447572496 297308915 /nfs/dbraw/zinc/30/89/15/297308915.db2.gz CGMNZKIVDMMLFN-KKXDTOCCSA-N 2 1 306.450 2.925 20 0 DFADMP COc1cc(C)ccc1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000449027228 297393541 /nfs/dbraw/zinc/39/35/41/297393541.db2.gz LDHKOZXZMOAYRU-MRXNPFEDSA-N 2 1 320.477 2.528 20 0 DFADMP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449063674 297399241 /nfs/dbraw/zinc/39/92/41/297399241.db2.gz QNASQAVLVSOHPW-MRXNPFEDSA-N 2 1 314.429 2.833 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449123970 297409538 /nfs/dbraw/zinc/40/95/38/297409538.db2.gz OTNZICDYCWADEJ-KRWDZBQOSA-N 2 1 302.418 2.615 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453053757 298057677 /nfs/dbraw/zinc/05/76/77/298057677.db2.gz GRAQDHYUEMCKSR-VAMGGRTRSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453053757 298057679 /nfs/dbraw/zinc/05/76/79/298057679.db2.gz GRAQDHYUEMCKSR-VAMGGRTRSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453053757 298057681 /nfs/dbraw/zinc/05/76/81/298057681.db2.gz GRAQDHYUEMCKSR-VAMGGRTRSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453087895 298060773 /nfs/dbraw/zinc/06/07/73/298060773.db2.gz JRGDJVVIACUYCE-AITUJVMLSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453108211 298062240 /nfs/dbraw/zinc/06/22/40/298062240.db2.gz JNKAHABANTXODC-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000453115268 298063284 /nfs/dbraw/zinc/06/32/84/298063284.db2.gz WYSKXPWQRZFHJM-IEBWSBKVSA-N 2 1 324.472 2.562 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)[NH+](C)C ZINC000453117712 298064042 /nfs/dbraw/zinc/06/40/42/298064042.db2.gz ZNQQIKQNXSKDQL-MDNKFWRPSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)N(C)C ZINC000453117712 298064048 /nfs/dbraw/zinc/06/40/48/298064048.db2.gz ZNQQIKQNXSKDQL-MDNKFWRPSA-N 2 1 315.505 2.969 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C23CCC3)[C@@H](C)C1 ZINC000453134544 298066359 /nfs/dbraw/zinc/06/63/59/298066359.db2.gz XHPITZRXNJCOQN-WNRNVDISSA-N 2 1 324.509 2.671 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000453268236 298078725 /nfs/dbraw/zinc/07/87/25/298078725.db2.gz NTTYWVTYVNWTJK-INDMIFKZSA-N 2 1 302.462 2.707 20 0 DFADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453350768 298086105 /nfs/dbraw/zinc/08/61/05/298086105.db2.gz FDGIVFKIWFECLX-SWBPCFCJSA-N 2 1 314.473 2.790 20 0 DFADMP Cc1noc(C2CCC([NH2+]CCCC[N@H+](C)C3CC3)CC2)n1 ZINC000453413881 298091678 /nfs/dbraw/zinc/09/16/78/298091678.db2.gz WQAVHSVMEOYGAC-UHFFFAOYSA-N 2 1 306.454 2.868 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453411339 298091738 /nfs/dbraw/zinc/09/17/38/298091738.db2.gz AKEGPDLRVWXVPZ-WDSOQIARSA-N 2 1 304.478 2.527 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1C ZINC000453455222 298097288 /nfs/dbraw/zinc/09/72/88/298097288.db2.gz UNANXVPYBQBFOW-WCIQWLHISA-N 2 1 316.489 2.669 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cccc2c1OCCCO2)C1CC1 ZINC000453600232 298103645 /nfs/dbraw/zinc/10/36/45/298103645.db2.gz SACOIDOXSZWXSL-UHFFFAOYSA-N 2 1 304.434 2.812 20 0 DFADMP C[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245203772 298140173 /nfs/dbraw/zinc/14/01/73/298140173.db2.gz WARZNWOGQJTGIJ-HZSPNIEDSA-N 2 1 309.498 2.673 20 0 DFADMP Cc1cc(NC(=O)NCCCC[N@@H+](C)C2CC2)cn2cc[nH+]c12 ZINC000455610961 298389595 /nfs/dbraw/zinc/38/95/95/298389595.db2.gz FGAXRQXVQIRRTH-UHFFFAOYSA-N 2 1 315.421 2.639 20 0 DFADMP Cc1cc(NC(=O)NCCCC[N@H+](C)C2CC2)cn2cc[nH+]c12 ZINC000455610961 298389597 /nfs/dbraw/zinc/38/95/97/298389597.db2.gz FGAXRQXVQIRRTH-UHFFFAOYSA-N 2 1 315.421 2.639 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000495997985 300004700 /nfs/dbraw/zinc/00/47/00/300004700.db2.gz KXBKNXHKIUXUJJ-KFWWJZLASA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000495997985 300004702 /nfs/dbraw/zinc/00/47/02/300004702.db2.gz KXBKNXHKIUXUJJ-KFWWJZLASA-N 2 1 315.502 2.997 20 0 DFADMP CCCC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@H](C)CC ZINC000496385698 300055829 /nfs/dbraw/zinc/05/58/29/300055829.db2.gz UDJXEUKWZVICPX-QAPCUYQASA-N 2 1 323.481 2.761 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000497076292 300157415 /nfs/dbraw/zinc/15/74/15/300157415.db2.gz KXBKNXHKIUXUJJ-RRFJBIMHSA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000497076292 300157418 /nfs/dbraw/zinc/15/74/18/300157418.db2.gz KXBKNXHKIUXUJJ-RRFJBIMHSA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000497076290 300157513 /nfs/dbraw/zinc/15/75/13/300157513.db2.gz KXBKNXHKIUXUJJ-QLFBSQMISA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000497076290 300157516 /nfs/dbraw/zinc/15/75/16/300157516.db2.gz KXBKNXHKIUXUJJ-QLFBSQMISA-N 2 1 315.502 2.997 20 0 DFADMP CCC[C@@H](C)[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000501950895 300214857 /nfs/dbraw/zinc/21/48/57/300214857.db2.gz MNYHAYVYCOEHOS-ILXRZTDVSA-N 2 1 323.460 2.580 20 0 DFADMP CCC[C@@H](C)[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000501950895 300214860 /nfs/dbraw/zinc/21/48/60/300214860.db2.gz MNYHAYVYCOEHOS-ILXRZTDVSA-N 2 1 323.460 2.580 20 0 DFADMP COCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514092362 300259088 /nfs/dbraw/zinc/25/90/88/300259088.db2.gz FAVHWXNCUDXGAS-GUDVDZBRSA-N 2 1 302.462 2.913 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)C1 ZINC000514851157 300274981 /nfs/dbraw/zinc/27/49/81/300274981.db2.gz XQTVTMVHGFRPHI-GDBMZVCRSA-N 2 1 321.490 2.739 20 0 DFADMP CCc1[nH+]c2ccccc2c(N2C[C@@H]3[C@H](C2)OCC[N@H+]3C)c1C ZINC000515082142 300289263 /nfs/dbraw/zinc/28/92/63/300289263.db2.gz OUCHEIIRMFOUQT-MSOLQXFVSA-N 2 1 311.429 2.625 20 0 DFADMP CC[NH2+]CCCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000515299972 300298906 /nfs/dbraw/zinc/29/89/06/300298906.db2.gz WSCJBSBEGYJPHE-UHFFFAOYSA-N 2 1 305.466 2.646 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515654471 300316624 /nfs/dbraw/zinc/31/66/24/300316624.db2.gz SUGSTEDGBWPAJG-IRXDYDNUSA-N 2 1 309.498 2.522 20 0 DFADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516932080 300370475 /nfs/dbraw/zinc/37/04/75/300370475.db2.gz AIYODCVBARFQPD-LULLPPNCSA-N 2 1 304.478 2.818 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000521626702 300532927 /nfs/dbraw/zinc/53/29/27/300532927.db2.gz WLUOJSPJIWNXFE-GHMZBOCLSA-N 2 1 319.430 2.754 20 0 DFADMP Cc1c[nH+]cn1CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000528867878 300856769 /nfs/dbraw/zinc/85/67/69/300856769.db2.gz XBLFFKSPEAEISU-UHFFFAOYSA-N 2 1 312.417 2.734 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530179407 301026373 /nfs/dbraw/zinc/02/63/73/301026373.db2.gz XTXRPBIPNVHVAT-CXAGYDPISA-N 2 1 304.434 2.509 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CC[NH2+]C23CCC3)CCC[N@H+]1Cc1ccccc1 ZINC000530216017 301029908 /nfs/dbraw/zinc/02/99/08/301029908.db2.gz LSFJFBSFSYNOBF-QRQLOZEOSA-N 2 1 313.489 2.914 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1OC ZINC000530216513 301029982 /nfs/dbraw/zinc/02/99/82/301029982.db2.gz QALGGDJLOSEMBM-DYVFJYSZSA-N 2 1 318.461 2.817 20 0 DFADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000530219693 301030966 /nfs/dbraw/zinc/03/09/66/301030966.db2.gz HXFIKFUHGUZQFZ-STQMWFEESA-N 2 1 313.367 2.922 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CC2CCC1(C[NH3+])CC2 ZINC000530223152 301031573 /nfs/dbraw/zinc/03/15/73/301031573.db2.gz NIRBDTADBTXOHZ-IIIMJFFVSA-N 2 1 306.425 2.587 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC2CCC1(C[NH3+])CC2 ZINC000530223152 301031576 /nfs/dbraw/zinc/03/15/76/301031576.db2.gz NIRBDTADBTXOHZ-IIIMJFFVSA-N 2 1 306.425 2.587 20 0 DFADMP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCc1c[nH+]cn1C)CC3 ZINC000530407300 301046195 /nfs/dbraw/zinc/04/61/95/301046195.db2.gz NZMISFCNDOGKAG-CQSZACIVSA-N 2 1 308.429 2.899 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3[nH]cnc3c2)C[C@H](C)O1 ZINC000530722859 301065011 /nfs/dbraw/zinc/06/50/11/301065011.db2.gz DAPMPMAEHLFJSY-GASCZTMLSA-N 2 1 316.449 2.542 20 0 DFADMP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C[C@H](C)O1 ZINC000530722859 301065013 /nfs/dbraw/zinc/06/50/13/301065013.db2.gz DAPMPMAEHLFJSY-GASCZTMLSA-N 2 1 316.449 2.542 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C[C@H](C)O1 ZINC000530722859 301065014 /nfs/dbraw/zinc/06/50/14/301065014.db2.gz DAPMPMAEHLFJSY-GASCZTMLSA-N 2 1 316.449 2.542 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000531677100 301103648 /nfs/dbraw/zinc/10/36/48/301103648.db2.gz JRCYZMRHXCHOFO-HOTGVXAUSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728472 301106890 /nfs/dbraw/zinc/10/68/90/301106890.db2.gz XPIDXWPYACBTJL-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728472 301106892 /nfs/dbraw/zinc/10/68/92/301106892.db2.gz XPIDXWPYACBTJL-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531940373 301119896 /nfs/dbraw/zinc/11/98/96/301119896.db2.gz USLIVLMAXLFWGD-KBPBESRZSA-N 2 1 313.445 2.706 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000531945246 301120679 /nfs/dbraw/zinc/12/06/79/301120679.db2.gz PBAUKEZNBSNDPY-WCQYABFASA-N 2 1 314.376 2.726 20 0 DFADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000531970035 301122148 /nfs/dbraw/zinc/12/21/48/301122148.db2.gz BAVNPBLWZPZBAM-SJORKVTESA-N 2 1 320.477 2.891 20 0 DFADMP C[C@@H]1CC[N@H+](CCN[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000531983587 301123435 /nfs/dbraw/zinc/12/34/35/301123435.db2.gz WTOIVVGYVRFQBJ-ZIFCJYIRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000531983587 301123437 /nfs/dbraw/zinc/12/34/37/301123437.db2.gz WTOIVVGYVRFQBJ-ZIFCJYIRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000531983587 301123439 /nfs/dbraw/zinc/12/34/39/301123439.db2.gz WTOIVVGYVRFQBJ-ZIFCJYIRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000531983587 301123440 /nfs/dbraw/zinc/12/34/40/301123440.db2.gz WTOIVVGYVRFQBJ-ZIFCJYIRSA-N 2 1 301.478 2.581 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)o2)[C@@H](C)C1 ZINC000532195813 301135793 /nfs/dbraw/zinc/13/57/93/301135793.db2.gz JCZNFLLDPLOLFZ-MAUKXSAKSA-N 2 1 308.466 2.857 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)o2)[C@@H](C)C1 ZINC000532195815 301135801 /nfs/dbraw/zinc/13/58/01/301135801.db2.gz JCZNFLLDPLOLFZ-YJBOKZPZSA-N 2 1 308.466 2.857 20 0 DFADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532230470 301138306 /nfs/dbraw/zinc/13/83/06/301138306.db2.gz XKQHZLWQTCSXFM-QYZOEREBSA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@@H]1CCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532230470 301138308 /nfs/dbraw/zinc/13/83/08/301138308.db2.gz XKQHZLWQTCSXFM-QYZOEREBSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc2c(c1)[C@@H](NCC[N@@H+]1CC[C@H](C)C1)CCCO2 ZINC000532530228 301158193 /nfs/dbraw/zinc/15/81/93/301158193.db2.gz IEUMUOIKVFPJSP-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc2c(c1)[C@@H](NCC[N@H+]1CC[C@H](C)C1)CCCO2 ZINC000532530228 301158194 /nfs/dbraw/zinc/15/81/94/301158194.db2.gz IEUMUOIKVFPJSP-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000532525263 301158293 /nfs/dbraw/zinc/15/82/93/301158293.db2.gz ITXQEDKHYWRWLT-HRCADAONSA-N 2 1 303.450 2.784 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000532525263 301158295 /nfs/dbraw/zinc/15/82/95/301158295.db2.gz ITXQEDKHYWRWLT-HRCADAONSA-N 2 1 303.450 2.784 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000532531807 301158779 /nfs/dbraw/zinc/15/87/79/301158779.db2.gz NJUYOSHPXWXCJO-ZHALLVOQSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NCC[NH+]2CC[C@@H](C)C2)C1 ZINC000532531807 301158780 /nfs/dbraw/zinc/15/87/80/301158780.db2.gz NJUYOSHPXWXCJO-ZHALLVOQSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@@H+]2CC[C@@H](C)C2)C1 ZINC000532531807 301158782 /nfs/dbraw/zinc/15/87/82/301158782.db2.gz NJUYOSHPXWXCJO-ZHALLVOQSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@@H](NCC[N@H+]2CC[C@@H](C)C2)C1 ZINC000532531807 301158784 /nfs/dbraw/zinc/15/87/84/301158784.db2.gz NJUYOSHPXWXCJO-ZHALLVOQSA-N 2 1 301.478 2.753 20 0 DFADMP C[N@@H+](C[C@@H]1CCCOC1)[C@@H]1CCC[NH+](C[C@H]2CCCOC2)CC1 ZINC000533606412 301210036 /nfs/dbraw/zinc/21/00/36/301210036.db2.gz GTBOEDOMYNCUTA-IPMKNSEASA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000533606412 301210039 /nfs/dbraw/zinc/21/00/39/301210039.db2.gz GTBOEDOMYNCUTA-IPMKNSEASA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](C[C@@H]1CCCOC1)[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000533606412 301210042 /nfs/dbraw/zinc/21/00/42/301210042.db2.gz GTBOEDOMYNCUTA-IPMKNSEASA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]C[C@H]2CC=CCC2)c2cccs2)CC1 ZINC000537179836 301296027 /nfs/dbraw/zinc/29/60/27/301296027.db2.gz IIAJODOGZKDTHN-DLBZAZTESA-N 2 1 319.518 2.983 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2cccs2)CC1 ZINC000548884457 301621162 /nfs/dbraw/zinc/62/11/62/301621162.db2.gz ILHYNBSNDRUUTN-HZMVEIRTSA-N 2 1 319.518 2.815 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H](C[C@@H]1CCOC1)c1ccc(F)cc1 ZINC000559111664 301865529 /nfs/dbraw/zinc/86/55/29/301865529.db2.gz GORUQSSJIHYKGD-KSSFIOAISA-N 2 1 317.408 2.859 20 0 DFADMP CCC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)C1CC[NH2+]CC1 ZINC000563129539 302039970 /nfs/dbraw/zinc/03/99/70/302039970.db2.gz GVSMMYHSSPRBBB-AWEZNQCLSA-N 2 1 318.461 2.983 20 0 DFADMP CCC[N@@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)C1CC[NH2+]CC1 ZINC000563129539 302039973 /nfs/dbraw/zinc/03/99/73/302039973.db2.gz GVSMMYHSSPRBBB-AWEZNQCLSA-N 2 1 318.461 2.983 20 0 DFADMP Cn1cc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2ccc(F)cc2)cn1 ZINC000563426098 302071773 /nfs/dbraw/zinc/07/17/73/302071773.db2.gz SUQFARUHBPGGLJ-BRWVUGGUSA-N 2 1 302.397 2.508 20 0 DFADMP Cn1ccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000564655964 302148144 /nfs/dbraw/zinc/14/81/44/302148144.db2.gz PLGHJCZWYWMQPQ-IBGZPJMESA-N 2 1 324.472 2.749 20 0 DFADMP Cn1ccc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000564655964 302148146 /nfs/dbraw/zinc/14/81/46/302148146.db2.gz PLGHJCZWYWMQPQ-IBGZPJMESA-N 2 1 324.472 2.749 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000564823253 302161287 /nfs/dbraw/zinc/16/12/87/302161287.db2.gz XQQIDUNACRVBHZ-AWEZNQCLSA-N 2 1 304.356 2.982 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564850278 302164333 /nfs/dbraw/zinc/16/43/33/302164333.db2.gz RUSAMNFJPDSPCM-RBUKOAKNSA-N 2 1 304.478 2.548 20 0 DFADMP OCCCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564958074 302177000 /nfs/dbraw/zinc/17/70/00/302177000.db2.gz AIHLJBDWDAKNLP-SFHVURJKSA-N 2 1 302.462 2.936 20 0 DFADMP OCCCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564958074 302177005 /nfs/dbraw/zinc/17/70/05/302177005.db2.gz AIHLJBDWDAKNLP-SFHVURJKSA-N 2 1 302.462 2.936 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CC[C@H](c3cccnc3)C2)cc1 ZINC000564989679 302179467 /nfs/dbraw/zinc/17/94/67/302179467.db2.gz WXADCXZFBUJJFX-ROUUACIJSA-N 2 1 311.429 2.622 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000565031088 302186041 /nfs/dbraw/zinc/18/60/41/302186041.db2.gz ZTIFVFGGLVTENQ-CWRNSKLLSA-N 2 1 301.434 2.737 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000565031086 302186051 /nfs/dbraw/zinc/18/60/51/302186051.db2.gz ZTIFVFGGLVTENQ-BMFZPTHFSA-N 2 1 301.434 2.737 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cc[nH]n3)C2)s1 ZINC000565046727 302188497 /nfs/dbraw/zinc/18/84/97/302188497.db2.gz BECWILUXGUIVBK-AWEZNQCLSA-N 2 1 304.463 2.734 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000565225298 302209866 /nfs/dbraw/zinc/20/98/66/302209866.db2.gz CGPZHGHBGNUYID-LNLFQRSKSA-N 2 1 317.477 2.692 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000565299497 302216370 /nfs/dbraw/zinc/21/63/70/302216370.db2.gz VKEMDBLJUWAKMD-MSOLQXFVSA-N 2 1 317.477 2.703 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCO3)CC23CC3)cc1 ZINC000565304460 302216709 /nfs/dbraw/zinc/21/67/09/302216709.db2.gz ZBYFCQLLEBUACA-MSOLQXFVSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]C[C@@H]3CCCO3)CC23CC3)cc1 ZINC000565304460 302216710 /nfs/dbraw/zinc/21/67/10/302216710.db2.gz ZBYFCQLLEBUACA-MSOLQXFVSA-N 2 1 300.446 2.952 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)O[C@H](C)C2 ZINC000565475059 302226451 /nfs/dbraw/zinc/22/64/51/302226451.db2.gz KWDRPQKVOGWPFA-RBSFLKMASA-N 2 1 318.461 2.886 20 0 DFADMP OC[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000565951430 302250369 /nfs/dbraw/zinc/25/03/69/302250369.db2.gz NMERZIPMQAHWNB-MOPGFXCFSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000565951430 302250372 /nfs/dbraw/zinc/25/03/72/302250372.db2.gz NMERZIPMQAHWNB-MOPGFXCFSA-N 2 1 314.473 2.792 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000566017424 302253847 /nfs/dbraw/zinc/25/38/47/302253847.db2.gz VVJDSJHGYQDOBJ-WMZOPIPTSA-N 3 1 306.498 2.843 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2)c1)C1C[NH2+]C1 ZINC000566090964 302258566 /nfs/dbraw/zinc/25/85/66/302258566.db2.gz RXXOLGDJGRZYFZ-AWEZNQCLSA-N 2 1 309.413 2.636 20 0 DFADMP CC(C)c1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000566113037 302260864 /nfs/dbraw/zinc/26/08/64/302260864.db2.gz CFVPEABDRYDQMV-HNAYVOBHSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)c1ccc(C[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000566113037 302260867 /nfs/dbraw/zinc/26/08/67/302260867.db2.gz CFVPEABDRYDQMV-HNAYVOBHSA-N 2 1 304.478 2.786 20 0 DFADMP CCc1oc2ccccc2c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000566473991 302290583 /nfs/dbraw/zinc/29/05/83/302290583.db2.gz CHFBKKRMODZUDX-UHFFFAOYSA-N 2 1 316.445 2.932 20 0 DFADMP Clc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000566474513 302290604 /nfs/dbraw/zinc/29/06/04/302290604.db2.gz RMHHZXYAWXUHBX-UHFFFAOYSA-N 2 1 304.825 2.916 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000566614937 302298943 /nfs/dbraw/zinc/29/89/43/302298943.db2.gz AYZTWFHIKAARQT-IEBWSBKVSA-N 2 1 304.478 2.692 20 0 DFADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000566686173 302304446 /nfs/dbraw/zinc/30/44/46/302304446.db2.gz BYTSJAYJMCEJBX-OTWHNJEPSA-N 2 1 304.478 2.957 20 0 DFADMP CSC[C@H](O)C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000566733109 302307669 /nfs/dbraw/zinc/30/76/69/302307669.db2.gz MMSCTPQHBJCQJQ-KBAYOESNSA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@H](O)C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000566733099 302307953 /nfs/dbraw/zinc/30/79/53/302307953.db2.gz MMSCTPQHBJCQJQ-BPQIPLTHSA-N 2 1 322.518 2.601 20 0 DFADMP CCOC(=O)C(C)(C)C1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000566863836 302318560 /nfs/dbraw/zinc/31/85/60/302318560.db2.gz JSCPZYXDFUGQPY-UHFFFAOYSA-N 2 1 321.465 2.654 20 0 DFADMP CO[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000567064080 302333079 /nfs/dbraw/zinc/33/30/79/302333079.db2.gz TWUBXXWEDDIMMR-USTZCAOPSA-N 2 1 312.498 2.765 20 0 DFADMP CO[C@@H]1CC[N@@H+](CCCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000567064080 302333082 /nfs/dbraw/zinc/33/30/82/302333082.db2.gz TWUBXXWEDDIMMR-USTZCAOPSA-N 2 1 312.498 2.765 20 0 DFADMP CO[C@@H]1CC[N@H+](CCCC[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000567064080 302333085 /nfs/dbraw/zinc/33/30/85/302333085.db2.gz TWUBXXWEDDIMMR-USTZCAOPSA-N 2 1 312.498 2.765 20 0 DFADMP CSc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000567269541 302346310 /nfs/dbraw/zinc/34/63/10/302346310.db2.gz KOSWDBPWTSHMTL-QAPCUYQASA-N 2 1 320.502 2.832 20 0 DFADMP CC[C@H](C)[N@H+](CCCc1c[nH+]cn1C)CC(=O)OC(C)(C)C ZINC000567402280 302356620 /nfs/dbraw/zinc/35/66/20/302356620.db2.gz OVLQGYJKPJXJKJ-AWEZNQCLSA-N 2 1 309.454 2.795 20 0 DFADMP CC[C@H](C)[N@@H+](CCCc1c[nH+]cn1C)CC(=O)OC(C)(C)C ZINC000567402280 302356622 /nfs/dbraw/zinc/35/66/22/302356622.db2.gz OVLQGYJKPJXJKJ-AWEZNQCLSA-N 2 1 309.454 2.795 20 0 DFADMP Cc1nn2c(C[NH2+]C[C@@]3(C)CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000567471920 302361423 /nfs/dbraw/zinc/36/14/23/302361423.db2.gz YDTCQMOBQNMXNO-INIZCTEOSA-N 2 1 321.494 2.702 20 0 DFADMP CCC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567501961 302364632 /nfs/dbraw/zinc/36/46/32/302364632.db2.gz PTJVCKJFJJQAHK-SJLPKXTDSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000567683274 302379102 /nfs/dbraw/zinc/37/91/02/302379102.db2.gz KYKWCOYMKBZXLG-HOCLYGCPSA-N 2 1 310.507 2.957 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000567683274 302379104 /nfs/dbraw/zinc/37/91/04/302379104.db2.gz KYKWCOYMKBZXLG-HOCLYGCPSA-N 2 1 310.507 2.957 20 0 DFADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851577 302393111 /nfs/dbraw/zinc/39/31/11/302393111.db2.gz QEOWMNDWFGCTCV-FUHWJXTLSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H](O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851577 302393113 /nfs/dbraw/zinc/39/31/13/302393113.db2.gz QEOWMNDWFGCTCV-FUHWJXTLSA-N 2 1 302.462 2.934 20 0 DFADMP COCCCOc1cccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567871620 302395059 /nfs/dbraw/zinc/39/50/59/302395059.db2.gz XZUQSXLLQOOQPB-LJQANCHMSA-N 2 1 318.461 2.677 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567871620 302395061 /nfs/dbraw/zinc/39/50/61/302395061.db2.gz XZUQSXLLQOOQPB-LJQANCHMSA-N 2 1 318.461 2.677 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](O)Cc1ccc2ccccc2c1 ZINC000570154459 302558570 /nfs/dbraw/zinc/55/85/70/302558570.db2.gz CCADBQCYUJJPNV-LJQANCHMSA-N 2 1 309.413 2.538 20 0 DFADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000572392063 302659933 /nfs/dbraw/zinc/65/99/33/302659933.db2.gz GXDVBQRTRJLVGV-CMKODMSKSA-N 2 1 322.456 2.725 20 0 DFADMP Cc1ccccc1CCC[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000572487889 302665754 /nfs/dbraw/zinc/66/57/54/302665754.db2.gz TXMRSVHKGQMGSI-UHFFFAOYSA-N 2 1 316.489 2.754 20 0 DFADMP C[C@@H](CCc1ccccc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180940639 316047295 /nfs/dbraw/zinc/04/72/95/316047295.db2.gz MVSMOLIJGGLBJX-SFHVURJKSA-N 2 1 317.521 2.966 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000182234120 316092084 /nfs/dbraw/zinc/09/20/84/316092084.db2.gz SSSOOKCXDAVXFA-SJORKVTESA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)NC1CCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185749734 316191227 /nfs/dbraw/zinc/19/12/27/316191227.db2.gz HEKGKQKZRAETCX-HZPDHXFCSA-N 2 1 321.509 2.678 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185760178 316192187 /nfs/dbraw/zinc/19/21/87/316192187.db2.gz ZKTBVMFSBJNWJX-HRCADAONSA-N 2 1 323.525 2.922 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185760178 316192189 /nfs/dbraw/zinc/19/21/89/316192189.db2.gz ZKTBVMFSBJNWJX-HRCADAONSA-N 2 1 323.525 2.922 20 0 DFADMP COc1cc(C[N@H+](C)C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000318391891 316248716 /nfs/dbraw/zinc/24/87/16/316248716.db2.gz HUBDNEFDYBDLFB-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000318391891 316248719 /nfs/dbraw/zinc/24/87/19/316248719.db2.gz HUBDNEFDYBDLFB-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)cc1C ZINC000346086995 316318094 /nfs/dbraw/zinc/31/80/94/316318094.db2.gz UANYKXCDKRKXKS-FUHWJXTLSA-N 2 1 317.477 2.541 20 0 DFADMP COCc1cc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000360011965 316572614 /nfs/dbraw/zinc/57/26/14/316572614.db2.gz ABSXSGURAQHHFY-BBRMVZONSA-N 2 1 315.417 2.704 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1OCCC(C)C ZINC000414783703 316653668 /nfs/dbraw/zinc/65/36/68/316653668.db2.gz GMLDUNCUOIXTDH-UHFFFAOYSA-N 2 1 306.450 2.962 20 0 DFADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414799404 316662780 /nfs/dbraw/zinc/66/27/80/316662780.db2.gz DNPQETJBPLJXSA-OTYXRUKQSA-N 2 1 315.230 2.846 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450263333 317077761 /nfs/dbraw/zinc/07/77/61/317077761.db2.gz BKXYIIGERNSTGB-LPHOPBHVSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C)C[C@](C)(O)CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450411156 317090559 /nfs/dbraw/zinc/09/05/59/317090559.db2.gz XBZNUTKVIPQIIK-OAHLLOKOSA-N 2 1 311.788 2.752 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H](C2CC2)C2CCCC2)CC1 ZINC000453105492 317163452 /nfs/dbraw/zinc/16/34/52/317163452.db2.gz HOCWRRFQTZSJHJ-IBGZPJMESA-N 2 1 307.526 2.818 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000453276951 317175330 /nfs/dbraw/zinc/17/53/30/317175330.db2.gz BGQSSUQRNJRHFZ-QAPCUYQASA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000453276951 317175333 /nfs/dbraw/zinc/17/53/33/317175333.db2.gz BGQSSUQRNJRHFZ-QAPCUYQASA-N 2 1 305.466 2.617 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(C4CC4)nc3)C2)CC1 ZINC000459549654 317328619 /nfs/dbraw/zinc/32/86/19/317328619.db2.gz FWUWZXKUFOJORU-QGZVFWFLSA-N 2 1 300.450 2.518 20 0 DFADMP CCC[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000488240231 317378563 /nfs/dbraw/zinc/37/85/63/317378563.db2.gz SCFBMPVNFPJMAC-ZWKOTPCHSA-N 2 1 323.525 2.878 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@@H]3C[C@@H]3C)cc2)CC1 ZINC000488412032 317390774 /nfs/dbraw/zinc/39/07/74/317390774.db2.gz KXXGCFKPCFYZJT-LPHOPBHVSA-N 2 1 301.478 2.570 20 0 DFADMP Cc1cc(NC(=O)N[C@H](C[NH3+])C2CCCCC2)cn2cc[nH+]c12 ZINC000574545215 318023973 /nfs/dbraw/zinc/02/39/73/318023973.db2.gz NSJWNMVJAXXXIO-OAHLLOKOSA-N 2 1 315.421 2.672 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC3(O)CC3)C2)s1 ZINC000574576308 318025685 /nfs/dbraw/zinc/02/56/85/318025685.db2.gz KYFBYTWVLPHAPY-HNNXBMFYSA-N 2 1 308.491 2.725 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)C1C[NH2+]C1 ZINC000574748890 318037887 /nfs/dbraw/zinc/03/78/87/318037887.db2.gz PWVSMDRKWYIDAA-GUYCJALGSA-N 2 1 307.869 2.674 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000576456121 318127622 /nfs/dbraw/zinc/12/76/22/318127622.db2.gz WYOABEXNCVXGHK-MRXNPFEDSA-N 2 1 315.461 2.660 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[NH2+]C(C)C)cc1NC(C)=O ZINC000576506797 318130784 /nfs/dbraw/zinc/13/07/84/318130784.db2.gz JBNMWPGJEMAQEY-ZDUSSCGKSA-N 2 1 307.438 2.692 20 0 DFADMP Cc1ccccc1Cc1noc(C[NH+]2CCC(CC[NH3+])CC2)n1 ZINC000576880508 318156712 /nfs/dbraw/zinc/15/67/12/318156712.db2.gz QEJOSBDFABKHSL-UHFFFAOYSA-N 2 1 314.433 2.530 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000577280757 318182805 /nfs/dbraw/zinc/18/28/05/318182805.db2.gz MPIQHISIULJPQR-BFHYXJOUSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000577280757 318182807 /nfs/dbraw/zinc/18/28/07/318182807.db2.gz MPIQHISIULJPQR-BFHYXJOUSA-N 2 1 323.868 2.576 20 0 DFADMP COCC[C@@H]1CCCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577499210 318197529 /nfs/dbraw/zinc/19/75/29/318197529.db2.gz PQKQEPKYBODUFQ-INIZCTEOSA-N 2 1 302.462 2.971 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(n2cc(Cl)cn2)CC1 ZINC000577646831 318207878 /nfs/dbraw/zinc/20/78/78/318207878.db2.gz YGWIYXMDOFLXMQ-UHFFFAOYSA-N 2 1 307.829 2.540 20 0 DFADMP CCOC(=O)CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000578511847 318265894 /nfs/dbraw/zinc/26/58/94/318265894.db2.gz IBYQRBKQGDCALV-OAHLLOKOSA-N 2 1 324.490 2.763 20 0 DFADMP CCOC(=O)CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000578511847 318265895 /nfs/dbraw/zinc/26/58/95/318265895.db2.gz IBYQRBKQGDCALV-OAHLLOKOSA-N 2 1 324.490 2.763 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cncc(Br)c1 ZINC000578523660 318267436 /nfs/dbraw/zinc/26/74/36/318267436.db2.gz KKFDINKARDKPEK-WDEREUQCSA-N 2 1 300.244 2.835 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618585 318273293 /nfs/dbraw/zinc/27/32/93/318273293.db2.gz HXGUAVGJIYASFX-ZHALLVOQSA-N 2 1 304.478 2.861 20 0 DFADMP COCC[NH2+]C1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000578778292 318285399 /nfs/dbraw/zinc/28/53/99/318285399.db2.gz PGBFKJUOMUSCFL-UHFFFAOYSA-N 2 1 310.869 2.973 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2cc3ccccc3s2)CC1 ZINC000579003803 318301310 /nfs/dbraw/zinc/30/13/10/318301310.db2.gz BVWIZOUQAQXODT-UHFFFAOYSA-N 2 1 304.459 2.838 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCc3cn[nH]c3)C2)s1 ZINC000579014930 318302565 /nfs/dbraw/zinc/30/25/65/318302565.db2.gz YCLFSHIWEKFWDO-INIZCTEOSA-N 2 1 318.490 2.776 20 0 DFADMP C[C@H]([NH2+]Cc1cccnc1OC1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000579109928 318307882 /nfs/dbraw/zinc/30/78/82/318307882.db2.gz VBIWSNOAVBLHAX-GJZGRUSLSA-N 2 1 303.450 2.881 20 0 DFADMP C[C@@H]([NH2+]Cc1cccnc1OC1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000579109929 318307960 /nfs/dbraw/zinc/30/79/60/318307960.db2.gz VBIWSNOAVBLHAX-HUUCEWRRSA-N 2 1 303.450 2.881 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+][C@@H](C[NH3+])C3CCCC3)s2)cn1 ZINC000579208218 318314265 /nfs/dbraw/zinc/31/42/65/318314265.db2.gz JSUMTPUGVMGWGO-HNNXBMFYSA-N 2 1 304.463 2.756 20 0 DFADMP CCc1ccc(CC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000579361450 318325501 /nfs/dbraw/zinc/32/55/01/318325501.db2.gz ZMYQSXYNVODDLB-UHFFFAOYSA-N 2 1 316.489 2.618 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1 ZINC000579554085 318337446 /nfs/dbraw/zinc/33/74/46/318337446.db2.gz IAGVAAVVBHASPQ-MNZLEMJZSA-N 2 1 318.461 2.564 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)c1 ZINC000579928541 318363778 /nfs/dbraw/zinc/36/37/78/318363778.db2.gz LCWJRCBLUVYINN-CVEARBPZSA-N 2 1 303.450 2.752 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2c(OC)cccc21 ZINC000194848643 323273445 /nfs/dbraw/zinc/27/34/45/323273445.db2.gz OAYJHXQDUXANMO-KRWDZBQOSA-N 2 1 306.450 2.631 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3c(OC)cccc32)CC1 ZINC000194866438 323274528 /nfs/dbraw/zinc/27/45/28/323274528.db2.gz WNXBROUOZFZNQZ-GOSISDBHSA-N 2 1 318.461 2.773 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)c1 ZINC000195298741 323280728 /nfs/dbraw/zinc/28/07/28/323280728.db2.gz NEYMCUIZYPFRJZ-GOSISDBHSA-N 2 1 311.429 2.990 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000379616891 323289580 /nfs/dbraw/zinc/28/95/80/323289580.db2.gz DFFIXQBPQJBNDN-OQIJWPOYSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000379616891 323289585 /nfs/dbraw/zinc/28/95/85/323289585.db2.gz DFFIXQBPQJBNDN-OQIJWPOYSA-N 2 1 301.478 2.899 20 0 DFADMP c1ccc(C[N@H+]2CCCC[C@@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000379630364 323289599 /nfs/dbraw/zinc/28/95/99/323289599.db2.gz PTRXMHGKVGAWRJ-RTBURBONSA-N 2 1 301.478 2.773 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000379630364 323289603 /nfs/dbraw/zinc/28/96/03/323289603.db2.gz PTRXMHGKVGAWRJ-RTBURBONSA-N 2 1 301.478 2.773 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379631638 323289759 /nfs/dbraw/zinc/28/97/59/323289759.db2.gz RQDASHMIJYBOOV-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379631638 323289762 /nfs/dbraw/zinc/28/97/62/323289762.db2.gz RQDASHMIJYBOOV-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379631638 323289765 /nfs/dbraw/zinc/28/97/65/323289765.db2.gz RQDASHMIJYBOOV-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632371 323290594 /nfs/dbraw/zinc/29/05/94/323290594.db2.gz SKWDZEMGDLOFSK-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379632371 323290597 /nfs/dbraw/zinc/29/05/97/323290597.db2.gz SKWDZEMGDLOFSK-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H](NC(=O)OC(C)(C)C)[C@@H](C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000380929737 323293150 /nfs/dbraw/zinc/29/31/50/323293150.db2.gz FMNPTOXTVXNUDR-CHWSQXEVSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@H]1C[C@H](NCCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000382548088 323300111 /nfs/dbraw/zinc/30/01/11/323300111.db2.gz QMYRYCAJSFLADX-QFBILLFUSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000382840925 323302450 /nfs/dbraw/zinc/30/24/50/323302450.db2.gz UNCCBWVUBLPJNY-CMPLNLGQSA-N 2 1 317.296 2.983 20 0 DFADMP C[N@@H+](CCOCc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384104462 323305496 /nfs/dbraw/zinc/30/54/96/323305496.db2.gz YIYFPBKSIHLGMP-UHFFFAOYSA-N 2 1 310.441 2.981 20 0 DFADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388747043 323332269 /nfs/dbraw/zinc/33/22/69/323332269.db2.gz DGGIJYKREKUWSB-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000393433187 323349446 /nfs/dbraw/zinc/34/94/46/323349446.db2.gz VDTMJVDUMRVDCY-ZDUSSCGKSA-N 2 1 322.449 2.847 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CCCC[NH3+])CC1 ZINC000580332302 323372921 /nfs/dbraw/zinc/37/29/21/323372921.db2.gz NYZRVPJZVOUCTA-MRXNPFEDSA-N 2 1 309.498 2.619 20 0 DFADMP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)sc2c1CCCC2 ZINC000580432092 323384708 /nfs/dbraw/zinc/38/47/08/323384708.db2.gz VVZPGBNVFWWYKO-BRWVUGGUSA-N 2 1 320.502 2.874 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1)C1C[NH2+]C1 ZINC000581878561 323583057 /nfs/dbraw/zinc/58/30/57/323583057.db2.gz OHTQSKZTZGVLIC-AWEZNQCLSA-N 2 1 315.461 2.903 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H](Cc2ccccn2)c2cccnc2)C[C@@]1(C)C[NH3+] ZINC000584464016 337343429 /nfs/dbraw/zinc/34/34/29/337343429.db2.gz IOJVIXKLJHOHAS-AYOQOUSVSA-N 2 1 310.445 2.677 20 0 DFADMP c1ccc(O[C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000584634215 337377670 /nfs/dbraw/zinc/37/76/70/337377670.db2.gz CRHBLRHVLXUAQS-FQEVSTJZSA-N 2 1 308.425 2.986 20 0 DFADMP COC(=O)c1cc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)n(C)c1C ZINC000323918997 533819786 /nfs/dbraw/zinc/81/97/86/533819786.db2.gz NAKYVJIWKJOWEF-UHFFFAOYSA-N 2 1 321.465 2.519 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(OC)c1 ZINC000299311698 533869861 /nfs/dbraw/zinc/86/98/61/533869861.db2.gz FEVDDWQJHURAEB-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP CCN(C(=O)CC(C)(C)[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453508 519902014 /nfs/dbraw/zinc/90/20/14/519902014.db2.gz KNYCDUDGIJDPEU-WBVHZDCISA-N 2 1 317.477 2.798 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000366353575 520003578 /nfs/dbraw/zinc/00/35/78/520003578.db2.gz JZXGXGCRTPQGAN-DOTOQJQBSA-N 2 1 301.434 2.609 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000163552136 520754255 /nfs/dbraw/zinc/75/42/55/520754255.db2.gz PSWPVQLRLHCTIF-QFBILLFUSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000163552136 520754265 /nfs/dbraw/zinc/75/42/65/520754265.db2.gz PSWPVQLRLHCTIF-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000365006409 521275528 /nfs/dbraw/zinc/27/55/28/521275528.db2.gz FJKZHVISKSMAPC-IEZWGBDMSA-N 2 1 317.477 2.531 20 0 DFADMP CCC[N@@H+](CC)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000156819190 521610922 /nfs/dbraw/zinc/61/09/22/521610922.db2.gz FXZZJWYPZKKAJI-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP CCC[NH+](CC)CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000156819190 521610927 /nfs/dbraw/zinc/61/09/27/521610927.db2.gz FXZZJWYPZKKAJI-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP CCC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000156819190 521610932 /nfs/dbraw/zinc/61/09/32/521610932.db2.gz FXZZJWYPZKKAJI-PKOBYXMFSA-N 2 1 318.509 2.614 20 0 DFADMP COC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440035 522604557 /nfs/dbraw/zinc/60/45/57/522604557.db2.gz ZVMJIFBETSILFI-QZTJIDSGSA-N 2 1 324.509 2.768 20 0 DFADMP COC1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440035 522604564 /nfs/dbraw/zinc/60/45/64/522604564.db2.gz ZVMJIFBETSILFI-QZTJIDSGSA-N 2 1 324.509 2.768 20 0 DFADMP COC1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CCOCC1 ZINC000368440035 522604575 /nfs/dbraw/zinc/60/45/75/522604575.db2.gz ZVMJIFBETSILFI-QZTJIDSGSA-N 2 1 324.509 2.768 20 0 DFADMP C[N@H+](CCOc1ccc(F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366001551 522910744 /nfs/dbraw/zinc/91/07/44/522910744.db2.gz JRFOBISLCQHKBA-AWEZNQCLSA-N 2 1 303.381 2.595 20 0 DFADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000366001551 522910749 /nfs/dbraw/zinc/91/07/49/522910749.db2.gz JRFOBISLCQHKBA-AWEZNQCLSA-N 2 1 303.381 2.595 20 0 DFADMP Cc1[nH+]c2ccccc2c(N[C@@H](C)CN2CC[NH+](C)CC2)c1C ZINC000302104671 534670830 /nfs/dbraw/zinc/67/08/30/534670830.db2.gz WXOZDQXGFNCCFN-AWEZNQCLSA-N 2 1 312.461 2.899 20 0 DFADMP C[N@@H+](CCSCC[NH+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000366012470 522925021 /nfs/dbraw/zinc/92/50/21/522925021.db2.gz UUITXSREFKSJJQ-HDICACEKSA-N 2 1 320.502 2.715 20 0 DFADMP C[NH+](CCSCC[N@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000366012470 522925032 /nfs/dbraw/zinc/92/50/32/522925032.db2.gz UUITXSREFKSJJQ-HDICACEKSA-N 2 1 320.502 2.715 20 0 DFADMP C[NH+](CCSCC[N@@H+]1C[C@H]2CC[C@@H](C1)O2)Cc1ccccc1 ZINC000366012470 522925045 /nfs/dbraw/zinc/92/50/45/522925045.db2.gz UUITXSREFKSJJQ-HDICACEKSA-N 2 1 320.502 2.715 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000367614790 523987703 /nfs/dbraw/zinc/98/77/03/523987703.db2.gz IULYMKJUEXNOCS-RYRKJORJSA-N 2 1 312.461 2.889 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000367617322 524086088 /nfs/dbraw/zinc/08/60/88/524086088.db2.gz QIKALVPLUXDERH-XHSDSOJGSA-N 2 1 304.434 2.666 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000365967535 524387816 /nfs/dbraw/zinc/38/78/16/524387816.db2.gz GZVPFKTUOGCZBI-MRXNPFEDSA-N 2 1 312.417 2.769 20 0 DFADMP Cc1ccc(C(=O)CC[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000366010121 526042612 /nfs/dbraw/zinc/04/26/12/526042612.db2.gz SBKBSXOEHGNWFR-MRXNPFEDSA-N 2 1 311.429 2.959 20 0 DFADMP Cc1ccc(C(=O)CC[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1 ZINC000366010121 526042619 /nfs/dbraw/zinc/04/26/19/526042619.db2.gz SBKBSXOEHGNWFR-MRXNPFEDSA-N 2 1 311.429 2.959 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC000157591351 526245285 /nfs/dbraw/zinc/24/52/85/526245285.db2.gz YLYZLFMNWUXMJX-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000157591351 526245289 /nfs/dbraw/zinc/24/52/89/526245289.db2.gz YLYZLFMNWUXMJX-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000157591351 526245294 /nfs/dbraw/zinc/24/52/94/526245294.db2.gz YLYZLFMNWUXMJX-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP c1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)o2)n[nH]1 ZINC000366031735 526411159 /nfs/dbraw/zinc/41/11/59/526411159.db2.gz XMXQTPKQZQEYGC-HNNXBMFYSA-N 2 1 314.433 2.978 20 0 DFADMP c1cc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)o2)n[nH]1 ZINC000366031735 526411165 /nfs/dbraw/zinc/41/11/65/526411165.db2.gz XMXQTPKQZQEYGC-HNNXBMFYSA-N 2 1 314.433 2.978 20 0 DFADMP O=C1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2cc(F)ccc2N1 ZINC000364941898 526990710 /nfs/dbraw/zinc/99/07/10/526990710.db2.gz QCCFHYCHCXCFNN-MLGOLLRUSA-N 2 1 317.408 2.673 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000163292650 527400275 /nfs/dbraw/zinc/40/02/75/527400275.db2.gz PRDVDECIEFDTJY-NVXWUHKLSA-N 2 1 301.438 2.751 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000163292650 527400282 /nfs/dbraw/zinc/40/02/82/527400282.db2.gz PRDVDECIEFDTJY-NVXWUHKLSA-N 2 1 301.438 2.751 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000292873573 527743183 /nfs/dbraw/zinc/74/31/83/527743183.db2.gz HVRIRYUBDXQWGB-JFRXWTBNSA-N 2 1 304.478 2.750 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCCCC2 ZINC000305805397 527938064 /nfs/dbraw/zinc/93/80/64/527938064.db2.gz ZAOBUACOCKOZNU-ZWKOTPCHSA-N 2 1 324.509 2.551 20 0 DFADMP CC(C)OCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310017777 527963071 /nfs/dbraw/zinc/96/30/71/527963071.db2.gz PFBYBKTZSYKSQF-RBUKOAKNSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310017777 527963080 /nfs/dbraw/zinc/96/30/80/527963080.db2.gz PFBYBKTZSYKSQF-RBUKOAKNSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310017777 527963084 /nfs/dbraw/zinc/96/30/84/527963084.db2.gz PFBYBKTZSYKSQF-RBUKOAKNSA-N 2 1 302.462 2.865 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccnc(OC)n2)cc1 ZINC000294740720 528191158 /nfs/dbraw/zinc/19/11/58/528191158.db2.gz JTXZRRRPNBIGIE-UHFFFAOYSA-N 2 1 314.433 2.617 20 0 DFADMP CCOCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976968 528670952 /nfs/dbraw/zinc/67/09/52/528670952.db2.gz RSWDUODKDQZZRE-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP CCOCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976968 528670958 /nfs/dbraw/zinc/67/09/58/528670958.db2.gz RSWDUODKDQZZRE-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP CCOCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309976968 528670962 /nfs/dbraw/zinc/67/09/62/528670962.db2.gz RSWDUODKDQZZRE-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccs1 ZINC000261924773 535153378 /nfs/dbraw/zinc/15/33/78/535153378.db2.gz KYGQDKJGHVWEEA-RBSFLKMASA-N 2 1 308.491 2.772 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@H]2CCOC2)[C@H](C)C1 ZINC000361491933 535527199 /nfs/dbraw/zinc/52/71/99/535527199.db2.gz BPOCPCLNRJUHNP-XDNAFOTISA-N 2 1 312.498 2.528 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000355642386 535664628 /nfs/dbraw/zinc/66/46/28/535664628.db2.gz KLSWEWCJWSDBTP-KRWDZBQOSA-N 2 1 305.466 2.526 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccco1 ZINC000245908876 535676024 /nfs/dbraw/zinc/67/60/24/535676024.db2.gz OFRUUQQGPUFCAG-HZPDHXFCSA-N 2 1 321.465 2.653 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172647377 535758620 /nfs/dbraw/zinc/75/86/20/535758620.db2.gz LWRRJAOTQSELOT-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000172647377 535758623 /nfs/dbraw/zinc/75/86/23/535758623.db2.gz LWRRJAOTQSELOT-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP C[NH+](C)CCOC1CC[NH+](Cc2cc(F)c(F)c(F)c2)CC1 ZINC000353569892 535893461 /nfs/dbraw/zinc/89/34/61/535893461.db2.gz HLRBBMOCFGAKRY-UHFFFAOYSA-N 2 1 316.367 2.647 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccccc1 ZINC000361352052 535895289 /nfs/dbraw/zinc/89/52/89/535895289.db2.gz NZNUDSIEHYZFPC-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CCc1nc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261629575 536139526 /nfs/dbraw/zinc/13/95/26/536139526.db2.gz DRXHHPQOGDWNRD-ZBFHGGJFSA-N 2 1 301.459 2.880 20 0 DFADMP CCc1nc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cs1 ZINC000261629575 536139531 /nfs/dbraw/zinc/13/95/31/536139531.db2.gz DRXHHPQOGDWNRD-ZBFHGGJFSA-N 2 1 301.459 2.880 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(OC[C@@H]2CCCO2)CC1 ZINC000361331086 536356537 /nfs/dbraw/zinc/35/65/37/536356537.db2.gz LMUYKBUJIDIVDA-WMZOPIPTSA-N 2 1 310.482 2.521 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1OC ZINC000262065371 536572231 /nfs/dbraw/zinc/57/22/31/536572231.db2.gz FLHYNFFXVFSACV-NUEKZKHPSA-N 2 1 304.434 2.571 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000358340393 536627816 /nfs/dbraw/zinc/62/78/16/536627816.db2.gz LASIWPRMPQTBLT-ROUUACIJSA-N 2 1 318.461 2.818 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358340393 536627823 /nfs/dbraw/zinc/62/78/23/536627823.db2.gz LASIWPRMPQTBLT-ROUUACIJSA-N 2 1 318.461 2.818 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1NC(C)=O ZINC000361748586 536905282 /nfs/dbraw/zinc/90/52/82/536905282.db2.gz BMUAUZQHMRHHSP-HEHGZKQESA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1NC(C)=O ZINC000361748586 536905285 /nfs/dbraw/zinc/90/52/85/536905285.db2.gz BMUAUZQHMRHHSP-HEHGZKQESA-N 2 1 319.449 2.787 20 0 DFADMP CC[N@H+]1C[C@H](NCc2cn(C)nc2-c2cccs2)[C@@H](C)C1 ZINC000680932756 545566373 /nfs/dbraw/zinc/56/63/73/545566373.db2.gz OFEBECOSFQUCIZ-JSGCOSHPSA-N 2 1 304.463 2.578 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2cn(C)nc2-c2cccs2)[C@@H](C)C1 ZINC000680932756 545566376 /nfs/dbraw/zinc/56/63/76/545566376.db2.gz OFEBECOSFQUCIZ-JSGCOSHPSA-N 2 1 304.463 2.578 20 0 DFADMP CC[N@H+]1C[C@H](NCc2c[nH]nc2-c2c(F)cccc2F)[C@@H](C)C1 ZINC000680932752 545566401 /nfs/dbraw/zinc/56/64/01/545566401.db2.gz OEEMLZWPXDJILT-NHYWBVRUSA-N 2 1 320.387 2.785 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2c[nH]nc2-c2c(F)cccc2F)[C@@H](C)C1 ZINC000680932752 545566402 /nfs/dbraw/zinc/56/64/02/545566402.db2.gz OEEMLZWPXDJILT-NHYWBVRUSA-N 2 1 320.387 2.785 20 0 DFADMP CC(C)O[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(C)C ZINC000680939187 545567605 /nfs/dbraw/zinc/56/76/05/545567605.db2.gz JYRJDWLFVLRBRT-OKZBNKHCSA-N 2 1 324.509 2.812 20 0 DFADMP OCC[C@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681753567 545716683 /nfs/dbraw/zinc/71/66/83/545716683.db2.gz HQFKTRPGXPOESP-GOSISDBHSA-N 2 1 318.461 2.508 20 0 DFADMP C[N@@H+](Cc1nc2c(s1)CCC2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914555 545750948 /nfs/dbraw/zinc/75/09/48/545750948.db2.gz IAWIFVJGGOUCGH-GFCCVEGCSA-N 2 1 302.447 2.523 20 0 DFADMP C[N@H+](Cc1nc2c(s1)CCC2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914555 545750952 /nfs/dbraw/zinc/75/09/52/545750952.db2.gz IAWIFVJGGOUCGH-GFCCVEGCSA-N 2 1 302.447 2.523 20 0 DFADMP CO[C@@]1(C(F)(F)F)CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000682038508 545782690 /nfs/dbraw/zinc/78/26/90/545782690.db2.gz FGSPFPAJRHIILI-ZDUSSCGKSA-N 2 1 305.344 2.625 20 0 DFADMP CO[C@@]1(C(F)(F)F)CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000682038508 545782699 /nfs/dbraw/zinc/78/26/99/545782699.db2.gz FGSPFPAJRHIILI-ZDUSSCGKSA-N 2 1 305.344 2.625 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682133158 545802961 /nfs/dbraw/zinc/80/29/61/545802961.db2.gz LQNGWTVKWUWPEP-QAPCUYQASA-N 2 1 320.452 2.990 20 0 DFADMP COC1(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCCC1 ZINC000682941048 545944898 /nfs/dbraw/zinc/94/48/98/545944898.db2.gz VOJPMHIXNXUHMD-INIZCTEOSA-N 2 1 318.465 2.611 20 0 DFADMP COC1(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCCC1 ZINC000682941049 545945327 /nfs/dbraw/zinc/94/53/27/545945327.db2.gz VOJPMHIXNXUHMD-MRXNPFEDSA-N 2 1 318.465 2.611 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000683008497 545959265 /nfs/dbraw/zinc/95/92/65/545959265.db2.gz YICAUHYIMFBIBX-FUHWJXTLSA-N 2 1 324.428 2.782 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000683008497 545959271 /nfs/dbraw/zinc/95/92/71/545959271.db2.gz YICAUHYIMFBIBX-FUHWJXTLSA-N 2 1 324.428 2.782 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)n1 ZINC000683346144 546016060 /nfs/dbraw/zinc/01/60/60/546016060.db2.gz SEFJJUJALQUQML-JKSUJKDBSA-N 2 1 305.466 2.850 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000683720437 546081252 /nfs/dbraw/zinc/08/12/52/546081252.db2.gz LTSOXUYSWLESFQ-PBHICJAKSA-N 2 1 311.429 2.601 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc3cnccc3c2)CCCO1 ZINC000683775546 546093290 /nfs/dbraw/zinc/09/32/90/546093290.db2.gz BJTVXPINBBXMOI-MRXNPFEDSA-N 2 1 313.445 2.825 20 0 DFADMP CN(C)c1cc[nH+]c(NC(=O)CC[N@@H+](C)C2CCCCC2)c1 ZINC000684166163 546161860 /nfs/dbraw/zinc/16/18/60/546161860.db2.gz MTLYCGXIAFFUDT-UHFFFAOYSA-N 2 1 304.438 2.741 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCC[C@@H](OC)C3)CCCC2)CC1 ZINC000684379214 546205029 /nfs/dbraw/zinc/20/50/29/546205029.db2.gz CIEHETLGMQNBLV-FUHWJXTLSA-N 2 1 324.509 2.957 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000684390961 546208373 /nfs/dbraw/zinc/20/83/73/546208373.db2.gz MHICTTFBNCIURO-IAGOWNOFSA-N 2 1 318.465 2.609 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)CC2 ZINC000684929043 546303785 /nfs/dbraw/zinc/30/37/85/546303785.db2.gz LZLRQLGNINVXHW-LTIDMASMSA-N 2 1 303.450 2.630 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cc(Cl)cs1)CC[NH+](C)C ZINC000685475844 546358880 /nfs/dbraw/zinc/35/88/80/546358880.db2.gz OZCDYXOEZCEZAU-UHFFFAOYSA-N 2 1 303.903 2.717 20 0 DFADMP Cc1nc(C)c(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)o1 ZINC000685580549 546371596 /nfs/dbraw/zinc/37/15/96/546371596.db2.gz OXFBARCJXMTCFJ-HDICACEKSA-N 2 1 311.429 2.855 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000278600726 214267810 /nfs/dbraw/zinc/26/78/10/214267810.db2.gz IUSVCOBIMPRFTP-SJORKVTESA-N 2 1 305.491 2.588 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@@H]2CCSC2)C1 ZINC000278600726 214267811 /nfs/dbraw/zinc/26/78/11/214267811.db2.gz IUSVCOBIMPRFTP-SJORKVTESA-N 2 1 305.491 2.588 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@@H]2CCSC2)C1 ZINC000278600726 214267814 /nfs/dbraw/zinc/26/78/14/214267814.db2.gz IUSVCOBIMPRFTP-SJORKVTESA-N 2 1 305.491 2.588 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@@H]2CCSC2)C1 ZINC000278600726 214267816 /nfs/dbraw/zinc/26/78/16/214267816.db2.gz IUSVCOBIMPRFTP-SJORKVTESA-N 2 1 305.491 2.588 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(NC(C)=O)cc2)CC1 ZINC000079000145 185144218 /nfs/dbraw/zinc/14/42/18/185144218.db2.gz JUHGACSVQUOQCE-UHFFFAOYSA-N 2 1 303.450 2.999 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296623 199277956 /nfs/dbraw/zinc/27/79/56/199277956.db2.gz FVJIYMIMZZVPIQ-ZBFHGGJFSA-N 2 1 317.433 2.778 20 0 DFADMP OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000305861044 231076696 /nfs/dbraw/zinc/07/66/96/231076696.db2.gz LUHLBRUZSLPQSK-AABGDIPYSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000309697577 231101638 /nfs/dbraw/zinc/10/16/38/231101638.db2.gz FLABFVJRIGUMIV-UHOSZYNNSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000278715477 214348374 /nfs/dbraw/zinc/34/83/74/214348374.db2.gz VTKIMFSKTZGTNG-CABCVRRESA-N 2 1 320.433 2.567 20 0 DFADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905645 398348723 /nfs/dbraw/zinc/34/87/23/398348723.db2.gz FENKTGSUIOHQHH-CJNGLKHVSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905645 398348727 /nfs/dbraw/zinc/34/87/27/398348727.db2.gz FENKTGSUIOHQHH-CJNGLKHVSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905645 398348730 /nfs/dbraw/zinc/34/87/30/398348730.db2.gz FENKTGSUIOHQHH-CJNGLKHVSA-N 2 1 306.454 2.522 20 0 DFADMP Cn1cncc1CC[N@@H+](C)CCCc1cc(-c2ccccc2)n[nH]1 ZINC000459330679 299082131 /nfs/dbraw/zinc/08/21/31/299082131.db2.gz TZXBDCHFXIMFJJ-UHFFFAOYSA-N 2 1 323.444 2.917 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591907204 398349354 /nfs/dbraw/zinc/34/93/54/398349354.db2.gz YYGMCJKNPGCXKJ-LZWOXQAQSA-N 2 1 306.454 2.522 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591907204 398349356 /nfs/dbraw/zinc/34/93/56/398349356.db2.gz YYGMCJKNPGCXKJ-LZWOXQAQSA-N 2 1 306.454 2.522 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591907204 398349358 /nfs/dbraw/zinc/34/93/58/398349358.db2.gz YYGMCJKNPGCXKJ-LZWOXQAQSA-N 2 1 306.454 2.522 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N(C)CC[NH+]1CCOCC1 ZINC000302067200 529491617 /nfs/dbraw/zinc/49/16/17/529491617.db2.gz UQXOPHJFBBQKMP-UHFFFAOYSA-N 2 1 313.445 2.874 20 0 DFADMP CC[C@@](C)(COc1ncccc1Cl)[NH2+]CCc1c[nH+]cn1C ZINC000298331231 529502117 /nfs/dbraw/zinc/50/21/17/529502117.db2.gz IVKTVFWBIRFCFN-INIZCTEOSA-N 2 1 322.840 2.848 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236786359 398364182 /nfs/dbraw/zinc/36/41/82/398364182.db2.gz CGRDVPMXHNRPRI-FUHWJXTLSA-N 2 1 317.477 2.561 20 0 DFADMP CCOc1c(Cl)cc(CNC[C@H]2CCC[N@H+]2C)cc1OC ZINC000236847325 398364685 /nfs/dbraw/zinc/36/46/85/398364685.db2.gz SFLWBRLZVIQWSZ-CYBMUJFWSA-N 2 1 312.841 2.931 20 0 DFADMP CC(C)C[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236725823 398363325 /nfs/dbraw/zinc/36/33/25/398363325.db2.gz XIHRXNXZYGUXNY-QGZVFWFLSA-N 2 1 305.466 2.516 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@H](O)C(F)F ZINC000294933559 529682152 /nfs/dbraw/zinc/68/21/52/529682152.db2.gz BSKFNSSBNQIJPP-CVEARBPZSA-N 2 1 312.404 2.645 20 0 DFADMP c1cnn(-c2ccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000459374775 299090632 /nfs/dbraw/zinc/09/06/32/299090632.db2.gz YFGVSJKAWVVYMV-UHFFFAOYSA-N 2 1 310.445 2.631 20 0 DFADMP C[NH+](C)[C@H](C[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1)C1CC1 ZINC000092562361 185326121 /nfs/dbraw/zinc/32/61/21/185326121.db2.gz IMIZTCLHNILDNJ-UYSNPLJNSA-N 2 1 310.482 2.817 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000329764346 282251562 /nfs/dbraw/zinc/25/15/62/282251562.db2.gz VPOZVZYUTQXCSM-TZMCWYRMSA-N 2 1 313.405 2.711 20 0 DFADMP CCOC(=O)[C@@H](C)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092821019 185343816 /nfs/dbraw/zinc/34/38/16/185343816.db2.gz CHCTUJWJCMCMPV-OAHLLOKOSA-N 2 1 319.449 2.572 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000459400687 299096634 /nfs/dbraw/zinc/09/66/34/299096634.db2.gz WKJWNFMHOPDMTM-ZDUSSCGKSA-N 2 1 303.406 2.721 20 0 DFADMP CO[C@@H](c1ccccc1Cl)[C@@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000459396961 299096343 /nfs/dbraw/zinc/09/63/43/299096343.db2.gz IVFFJXDOZUZKMR-MLGOLLRUSA-N 2 1 307.825 2.982 20 0 DFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCC(C)(C)CC2)CC1 ZINC000584730794 398404428 /nfs/dbraw/zinc/40/44/28/398404428.db2.gz DBUIUXGCCYWZQX-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP FC(F)(F)c1csc(CC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000459421537 299102460 /nfs/dbraw/zinc/10/24/60/299102460.db2.gz MEMFCVLPZPBWTO-UHFFFAOYSA-N 2 1 319.396 2.921 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@H]1SC ZINC000459427345 299103740 /nfs/dbraw/zinc/10/37/40/299103740.db2.gz NCJRTEJTLVRNEQ-QKPAOTATSA-N 2 1 300.512 2.605 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262547111 398431654 /nfs/dbraw/zinc/43/16/54/398431654.db2.gz MRDFOSOAYWUGIT-ZWKOTPCHSA-N 2 1 317.477 2.800 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000262602330 398431783 /nfs/dbraw/zinc/43/17/83/398431783.db2.gz ACZUPOUKTQVOAE-KZNAEPCWSA-N 2 1 323.525 2.783 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000363973006 282308239 /nfs/dbraw/zinc/30/82/39/282308239.db2.gz LOIIFJNYOUDCHY-UHFFFAOYSA-N 2 1 303.450 2.977 20 0 DFADMP CC(C)[C@H](C[NH2+]Cc1ccc([C@@H]2C[C@H]2C)o1)N1CC[NH+](C)CC1 ZINC000261708473 398429155 /nfs/dbraw/zinc/42/91/55/398429155.db2.gz KRIKIKXQJKPKDS-NXHRZFHOSA-N 2 1 319.493 2.765 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852391 529929952 /nfs/dbraw/zinc/92/99/52/529929952.db2.gz QSGUXISTZOETBJ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852391 529929953 /nfs/dbraw/zinc/92/99/53/529929953.db2.gz QSGUXISTZOETBJ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852391 529929954 /nfs/dbraw/zinc/92/99/54/529929954.db2.gz QSGUXISTZOETBJ-ROUUACIJSA-N 2 1 308.441 2.535 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272769155 210174506 /nfs/dbraw/zinc/17/45/06/210174506.db2.gz RYYJICPJOUHSJM-WBVHZDCISA-N 2 1 318.461 2.828 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272769155 210174511 /nfs/dbraw/zinc/17/45/11/210174511.db2.gz RYYJICPJOUHSJM-WBVHZDCISA-N 2 1 318.461 2.828 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N1CCC[N@@H+](CC)CC1)c1ccccc1 ZINC000067483443 398437361 /nfs/dbraw/zinc/43/73/61/398437361.db2.gz TYBKUNGSZINCCV-SFHVURJKSA-N 2 1 317.477 2.624 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000592525295 398441738 /nfs/dbraw/zinc/44/17/38/398441738.db2.gz NWLJNSFFAAKSTL-SJORKVTESA-N 2 1 318.461 2.511 20 0 DFADMP CC(C)n1cc2c(n1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000459435782 299106347 /nfs/dbraw/zinc/10/63/47/299106347.db2.gz PGLDDOFGNTTZLK-MRXNPFEDSA-N 2 1 302.466 2.538 20 0 DFADMP CCC[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1nnc2ccccn21 ZINC000459473395 299115468 /nfs/dbraw/zinc/11/54/68/299115468.db2.gz XUDGRHFYYLVDMX-MRXNPFEDSA-N 2 1 313.449 2.787 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000272703388 210109227 /nfs/dbraw/zinc/10/92/27/210109227.db2.gz ZLZCPKRPRKBBNH-DOTOQJQBSA-N 2 1 313.449 2.792 20 0 DFADMP OCc1ccccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305135987 398504836 /nfs/dbraw/zinc/50/48/36/398504836.db2.gz ONIKCDWBJZFULP-UHFFFAOYSA-N 2 1 324.468 2.976 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272691509 210097532 /nfs/dbraw/zinc/09/75/32/210097532.db2.gz POABDWRNGIPBCB-GSEOLPGOSA-N 2 1 316.489 2.895 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H]1OCCc2sccc21 ZINC000459556727 299133315 /nfs/dbraw/zinc/13/33/15/299133315.db2.gz KGJOYWLHSXBUNM-PXAZEXFGSA-N 2 1 306.475 2.967 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272653327 210059174 /nfs/dbraw/zinc/05/91/74/210059174.db2.gz KWRQUQXATOTYNT-ZIFCJYIRSA-N 2 1 312.461 2.772 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC2([NH+](C)C)CCCCC2)cn1 ZINC000414070770 295763582 /nfs/dbraw/zinc/76/35/82/295763582.db2.gz SMJRZTQMRVAIQB-HNNXBMFYSA-N 2 1 305.466 2.875 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000593075772 398538999 /nfs/dbraw/zinc/53/89/99/398538999.db2.gz SPHHGZVNRHUAEB-UHFFFAOYSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](CC(=O)OC(C)(C)C)CC1CC1 ZINC000593075772 398539003 /nfs/dbraw/zinc/53/90/03/398539003.db2.gz SPHHGZVNRHUAEB-UHFFFAOYSA-N 2 1 307.438 2.635 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000414130906 295770522 /nfs/dbraw/zinc/77/05/22/295770522.db2.gz XBAJVNIYUQKLIB-USXIJHARSA-N 2 1 310.869 2.878 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1)O[C@@H](C)C2 ZINC000318803090 398539902 /nfs/dbraw/zinc/53/99/02/398539902.db2.gz MWTJVJDGVHNLPP-BBRMVZONSA-N 2 1 304.434 2.593 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1)O[C@@H](C)C2 ZINC000318803090 398539903 /nfs/dbraw/zinc/53/99/03/398539903.db2.gz MWTJVJDGVHNLPP-BBRMVZONSA-N 2 1 304.434 2.593 20 0 DFADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597051077 398555803 /nfs/dbraw/zinc/55/58/03/398555803.db2.gz GYNLGOITIIDXBR-AWEZNQCLSA-N 2 1 324.852 2.948 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597051077 398555806 /nfs/dbraw/zinc/55/58/06/398555806.db2.gz GYNLGOITIIDXBR-AWEZNQCLSA-N 2 1 324.852 2.948 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000597059128 398557904 /nfs/dbraw/zinc/55/79/04/398557904.db2.gz FNXOFQYSPANKEV-AAEUAGOBSA-N 2 1 310.825 2.699 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000597059128 398557905 /nfs/dbraw/zinc/55/79/05/398557905.db2.gz FNXOFQYSPANKEV-AAEUAGOBSA-N 2 1 310.825 2.699 20 0 DFADMP Cc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000322697760 398558357 /nfs/dbraw/zinc/55/83/57/398558357.db2.gz NSPDPYLBTHCFNJ-JYJNAYRXSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000322697760 398558360 /nfs/dbraw/zinc/55/83/60/398558360.db2.gz NSPDPYLBTHCFNJ-JYJNAYRXSA-N 2 1 312.417 2.604 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2ccc3ccccc3c2)C1 ZINC000279818749 215172814 /nfs/dbraw/zinc/17/28/14/215172814.db2.gz YAXQGVRYVLYOOP-FXAWDEMLSA-N 2 1 312.457 2.627 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000597111851 398568310 /nfs/dbraw/zinc/56/83/10/398568310.db2.gz VBWOPQPVEPCAEK-UHFFFAOYSA-N 2 1 320.408 2.673 20 0 DFADMP CSC[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597129067 398572037 /nfs/dbraw/zinc/57/20/37/398572037.db2.gz HNQRCKIQNIQOHG-AWEZNQCLSA-N 2 1 302.447 2.842 20 0 DFADMP CSC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597129067 398572041 /nfs/dbraw/zinc/57/20/41/398572041.db2.gz HNQRCKIQNIQOHG-AWEZNQCLSA-N 2 1 302.447 2.842 20 0 DFADMP Cn1cnc(CC[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)c1 ZINC000459652491 299156273 /nfs/dbraw/zinc/15/62/73/299156273.db2.gz BXWUHZLSZCKOEC-UHFFFAOYSA-N 2 1 314.477 2.710 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cnc3n2CCC3)C[C@@H]1C(=O)OC(C)(C)C ZINC000597154002 398576687 /nfs/dbraw/zinc/57/66/87/398576687.db2.gz KQFGUPYFZNKINO-HIFRSBDPSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@@H]1CCN(Cc2cnc3n2CCC3)C[C@@H]1C(=O)OC(C)(C)C ZINC000597154002 398576692 /nfs/dbraw/zinc/57/66/92/398576692.db2.gz KQFGUPYFZNKINO-HIFRSBDPSA-N 2 1 319.449 2.629 20 0 DFADMP CC(C)C[C@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000589860942 398580588 /nfs/dbraw/zinc/58/05/88/398580588.db2.gz SBAMQIYLDZHFJF-HNNXBMFYSA-N 2 1 318.465 2.844 20 0 DFADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000597221662 398595881 /nfs/dbraw/zinc/59/58/81/398595881.db2.gz VPGWYAIFJYOVPR-DDBAPUKQSA-N 2 1 316.445 2.581 20 0 DFADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000597221662 398595884 /nfs/dbraw/zinc/59/58/84/398595884.db2.gz VPGWYAIFJYOVPR-DDBAPUKQSA-N 2 1 316.445 2.581 20 0 DFADMP CC(C)C[C@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126327 398599579 /nfs/dbraw/zinc/59/95/79/398599579.db2.gz DTUVQEZETRROIB-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126327 398599581 /nfs/dbraw/zinc/59/95/81/398599581.db2.gz DTUVQEZETRROIB-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126327 398599582 /nfs/dbraw/zinc/59/95/82/398599582.db2.gz DTUVQEZETRROIB-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126327 398599584 /nfs/dbraw/zinc/59/95/84/398599584.db2.gz DTUVQEZETRROIB-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093304610 398630010 /nfs/dbraw/zinc/63/00/10/398630010.db2.gz JQTXGKDHEKMKCQ-MRXNPFEDSA-N 2 1 301.434 2.855 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@H](C)CCO ZINC000093304610 398630012 /nfs/dbraw/zinc/63/00/12/398630012.db2.gz JQTXGKDHEKMKCQ-MRXNPFEDSA-N 2 1 301.434 2.855 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000152496872 186079331 /nfs/dbraw/zinc/07/93/31/186079331.db2.gz LDSKFGRHVBWLDF-SOLBZPMBSA-N 2 1 305.466 2.869 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000155663964 186100788 /nfs/dbraw/zinc/10/07/88/186100788.db2.gz CCBQFJKZWRUCTL-APWZRJJASA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H]1C[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000155663964 186100789 /nfs/dbraw/zinc/10/07/89/186100789.db2.gz CCBQFJKZWRUCTL-APWZRJJASA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H]1C[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000155663964 186100791 /nfs/dbraw/zinc/10/07/91/186100791.db2.gz CCBQFJKZWRUCTL-APWZRJJASA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H]1C[C@@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000155663964 186100793 /nfs/dbraw/zinc/10/07/93/186100793.db2.gz CCBQFJKZWRUCTL-APWZRJJASA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H]1C[C@@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000155663964 186100796 /nfs/dbraw/zinc/10/07/96/186100796.db2.gz CCBQFJKZWRUCTL-APWZRJJASA-N 2 1 315.505 2.896 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC000171475649 186165942 /nfs/dbraw/zinc/16/59/42/186165942.db2.gz HOTOXLOADBRXEC-GOSISDBHSA-N 2 1 317.477 2.668 20 0 DFADMP COCCOCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175706973 186190354 /nfs/dbraw/zinc/19/03/54/186190354.db2.gz JZCDRLQEGFQSDP-MJGOQNOKSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175706973 186190356 /nfs/dbraw/zinc/19/03/56/186190356.db2.gz JZCDRLQEGFQSDP-MJGOQNOKSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175706973 186190358 /nfs/dbraw/zinc/19/03/58/186190358.db2.gz JZCDRLQEGFQSDP-MJGOQNOKSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175706973 186190359 /nfs/dbraw/zinc/19/03/59/186190359.db2.gz JZCDRLQEGFQSDP-MJGOQNOKSA-N 2 1 320.477 2.634 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179725334 186210648 /nfs/dbraw/zinc/21/06/48/186210648.db2.gz ZGHJGTSVOKWNAU-VQIMIIECSA-N 2 1 316.445 2.983 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccn(C)c2)CC1 ZINC000093769426 398645020 /nfs/dbraw/zinc/64/50/20/398645020.db2.gz UPHSGSLRROECOG-UHFFFAOYSA-N 2 1 307.482 2.596 20 0 DFADMP Cn1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000459721012 299172329 /nfs/dbraw/zinc/17/23/29/299172329.db2.gz ACOFCOWRLOSQRZ-MRXNPFEDSA-N 2 1 312.461 2.909 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCCN2CCCC2=O)C1 ZINC000072974910 398651772 /nfs/dbraw/zinc/65/17/72/398651772.db2.gz GNGFOOYRKRDISL-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCN2CCCC2=O)C1 ZINC000072974910 398651775 /nfs/dbraw/zinc/65/17/75/398651775.db2.gz GNGFOOYRKRDISL-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCN2CCCC2=O)C1 ZINC000072974910 398651776 /nfs/dbraw/zinc/65/17/76/398651776.db2.gz GNGFOOYRKRDISL-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCN2CCCC2=O)C1 ZINC000072974910 398651778 /nfs/dbraw/zinc/65/17/78/398651778.db2.gz GNGFOOYRKRDISL-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000268738062 186372909 /nfs/dbraw/zinc/37/29/09/186372909.db2.gz OQIOPPIWKHKWCX-MJGOQNOKSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1ccnc1 ZINC000268738062 186372911 /nfs/dbraw/zinc/37/29/11/186372911.db2.gz OQIOPPIWKHKWCX-MJGOQNOKSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459726057 299174176 /nfs/dbraw/zinc/17/41/76/299174176.db2.gz GBLFDDMFNAQAEL-LSDHHAIUSA-N 2 1 321.440 2.864 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)C2 ZINC000459733027 299175761 /nfs/dbraw/zinc/17/57/61/299175761.db2.gz GFEIBQOZKPDAGD-RDJZCZTQSA-N 2 1 302.462 2.874 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(F)cc1Br ZINC000414804919 295821130 /nfs/dbraw/zinc/82/11/30/295821130.db2.gz YGLHYFLDXOSJMN-RNCFNFMXSA-N 2 1 301.203 2.805 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073013036 398655420 /nfs/dbraw/zinc/65/54/20/398655420.db2.gz ZFGAEQROXHHWEJ-CQSZACIVSA-N 2 1 310.401 2.507 20 0 DFADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1Br ZINC000414825300 295822572 /nfs/dbraw/zinc/82/25/72/295822572.db2.gz HBWLWFDEMCXJCC-FOSCPWQOSA-N 2 1 313.214 2.961 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000459738498 299177646 /nfs/dbraw/zinc/17/76/46/299177646.db2.gz RVSVAHFRPKFNCA-LJQANCHMSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000459738498 299177650 /nfs/dbraw/zinc/17/76/50/299177650.db2.gz RVSVAHFRPKFNCA-LJQANCHMSA-N 3 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000459738498 299177652 /nfs/dbraw/zinc/17/76/52/299177652.db2.gz RVSVAHFRPKFNCA-LJQANCHMSA-N 3 1 315.505 2.973 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459741895 299179083 /nfs/dbraw/zinc/17/90/83/299179083.db2.gz BBEZYSNLBGOUKK-HOTGVXAUSA-N 2 1 312.498 2.669 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000459744038 299179671 /nfs/dbraw/zinc/17/96/71/299179671.db2.gz XPFQQAPOKPFJJC-HIFRSBDPSA-N 2 1 309.479 2.816 20 0 DFADMP C[C@H](C[NH3+])C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414870699 295828583 /nfs/dbraw/zinc/82/85/83/295828583.db2.gz CDXQTZLGPSMVJJ-SNVBAGLBSA-N 2 1 323.238 2.524 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000459745834 299180606 /nfs/dbraw/zinc/18/06/06/299180606.db2.gz YMIQJOGPCORDCB-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414950685 295839634 /nfs/dbraw/zinc/83/96/34/295839634.db2.gz GHMGDQKUHSMWIW-GXFFZTMASA-N 2 1 313.239 2.545 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[NH2+]1 ZINC000414949877 295839115 /nfs/dbraw/zinc/83/91/15/295839115.db2.gz NWFRGOKSXUVLPJ-AAEUAGOBSA-N 2 1 302.340 2.858 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414960854 295841106 /nfs/dbraw/zinc/84/11/06/295841106.db2.gz YLSHFZKDSDMRIM-MFKMUULPSA-N 2 1 313.239 2.688 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000414977519 295843401 /nfs/dbraw/zinc/84/34/01/295843401.db2.gz QDVQOIYMUCVDDU-GBESFXJTSA-N 2 1 301.478 2.596 20 0 DFADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414979673 295843653 /nfs/dbraw/zinc/84/36/53/295843653.db2.gz OEUIOPWWISPKCG-KRWDZBQOSA-N 2 1 321.428 2.761 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414995599 295845352 /nfs/dbraw/zinc/84/53/52/295845352.db2.gz FTRKJMARXWPXKY-TZMCWYRMSA-N 2 1 300.780 2.642 20 0 DFADMP Fc1ccc2nc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)sc2c1 ZINC000414997920 295845527 /nfs/dbraw/zinc/84/55/27/295845527.db2.gz IBXPJQUKBNRTAD-VIFPVBQESA-N 2 1 315.364 2.770 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000590810153 398679273 /nfs/dbraw/zinc/67/92/73/398679273.db2.gz FFJHMJJIGPMYPV-ROUUACIJSA-N 2 1 317.477 2.668 20 0 DFADMP Fc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c2ncccc12 ZINC000415004149 295846489 /nfs/dbraw/zinc/84/64/89/295846489.db2.gz NWGWWFVWLCXLLS-LBPRGKRZSA-N 2 1 309.335 2.708 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459789187 299193166 /nfs/dbraw/zinc/19/31/66/299193166.db2.gz QHESURUDEJSWOA-SJORKVTESA-N 2 1 317.477 2.750 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000459791025 299194117 /nfs/dbraw/zinc/19/41/17/299194117.db2.gz ROWJZDNXQVWOAT-MAUKXSAKSA-N 2 1 302.462 2.874 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000459795478 299195705 /nfs/dbraw/zinc/19/57/05/299195705.db2.gz VKJRTLZXIFMDMD-INIZCTEOSA-N 2 1 304.482 2.748 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000277139302 213320042 /nfs/dbraw/zinc/32/00/42/213320042.db2.gz ZZPIXHMRVLHXPH-HZPDHXFCSA-N 2 1 307.344 2.590 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000401724229 398688544 /nfs/dbraw/zinc/68/85/44/398688544.db2.gz CAXSRYMLZUKYRS-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000415081778 295855526 /nfs/dbraw/zinc/85/55/26/295855526.db2.gz LAYDMVNVZMLFSF-AAEUAGOBSA-N 2 1 317.355 2.643 20 0 DFADMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404361325 398691901 /nfs/dbraw/zinc/69/19/01/398691901.db2.gz FJDAIFXIFMBXAR-DOMZBBRYSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404361325 398691903 /nfs/dbraw/zinc/69/19/03/398691903.db2.gz FJDAIFXIFMBXAR-DOMZBBRYSA-N 2 1 307.394 2.553 20 0 DFADMP Clc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cn1 ZINC000173950199 198271992 /nfs/dbraw/zinc/27/19/92/198271992.db2.gz DUWQJSHACNVBBL-UHFFFAOYSA-N 2 1 323.868 2.812 20 0 DFADMP COC[C@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000174116958 198293560 /nfs/dbraw/zinc/29/35/60/198293560.db2.gz UMDZKTFKPBHQIX-HNNXBMFYSA-N 2 1 305.466 2.911 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000174220068 198307342 /nfs/dbraw/zinc/30/73/42/198307342.db2.gz CQHJRLMTSYMIMK-MRXNPFEDSA-N 2 1 303.450 2.679 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000174220057 198307608 /nfs/dbraw/zinc/30/76/08/198307608.db2.gz CQHJRLMTSYMIMK-INIZCTEOSA-N 2 1 303.450 2.679 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000073895168 398707196 /nfs/dbraw/zinc/70/71/96/398707196.db2.gz OWDLXLNGIPYJLN-SFHVURJKSA-N 2 1 320.477 2.539 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000073895168 398707200 /nfs/dbraw/zinc/70/72/00/398707200.db2.gz OWDLXLNGIPYJLN-SFHVURJKSA-N 2 1 320.477 2.539 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129446911 283015806 /nfs/dbraw/zinc/01/58/06/283015806.db2.gz LUDRWVKVGLVDOP-OLZOCXBDSA-N 2 1 308.388 2.544 20 0 DFADMP C[N@H+]1CC[C@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000591097632 398726954 /nfs/dbraw/zinc/72/69/54/398726954.db2.gz YATGEZUTOAXELL-INIZCTEOSA-N 2 1 301.434 2.563 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCn2ccnc2C)c(F)c1 ZINC000130567260 283053359 /nfs/dbraw/zinc/05/33/59/283053359.db2.gz GEYKLUCXBXYWJZ-UHFFFAOYSA-N 2 1 319.380 2.639 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)c(F)c1 ZINC000130567260 283053361 /nfs/dbraw/zinc/05/33/61/283053361.db2.gz GEYKLUCXBXYWJZ-UHFFFAOYSA-N 2 1 319.380 2.639 20 0 DFADMP CCOC(=O)[C@@H]([NH2+]CCCn1ccnc1)C1CCCCCC1 ZINC000594046160 398730384 /nfs/dbraw/zinc/73/03/84/398730384.db2.gz DYBTWGIAXPGJIU-INIZCTEOSA-N 2 1 307.438 2.765 20 0 DFADMP Cc1cc(C)n(CC[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000597972998 398729987 /nfs/dbraw/zinc/72/99/87/398729987.db2.gz SMNHTCJEWLMPLT-KRWDZBQOSA-N 2 1 313.449 2.637 20 0 DFADMP Cc1cc(C)n(CC[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000597972998 398729989 /nfs/dbraw/zinc/72/99/89/398729989.db2.gz SMNHTCJEWLMPLT-KRWDZBQOSA-N 2 1 313.449 2.637 20 0 DFADMP Cc1cccc2c(NCC(C)(C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000462426789 299225247 /nfs/dbraw/zinc/22/52/47/299225247.db2.gz ISDCXBUFAAMUGJ-UHFFFAOYSA-N 2 1 313.445 2.796 20 0 DFADMP CCC[C@@H]1C[NH+](CCCC[N@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000131325078 283080355 /nfs/dbraw/zinc/08/03/55/283080355.db2.gz CGNLXVLGRNSYIP-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CCC[C@@H]1C[N@H+](CCCC[NH+]2CCO[C@@H](CCC)C2)CCO1 ZINC000131325078 283080359 /nfs/dbraw/zinc/08/03/59/283080359.db2.gz CGNLXVLGRNSYIP-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CCC[C@@H]1C[N@@H+](CCCC[NH+]2CCO[C@@H](CCC)C2)CCO1 ZINC000131325078 283080362 /nfs/dbraw/zinc/08/03/62/283080362.db2.gz CGNLXVLGRNSYIP-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP C[NH+]1CCN(c2ncc(C[NH2+]C(C)(C)CC(C)(C)C)cn2)CC1 ZINC000133805714 283162414 /nfs/dbraw/zinc/16/24/14/283162414.db2.gz ODMONVGIRFPZSZ-UHFFFAOYSA-N 2 1 319.497 2.533 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000081571016 192293807 /nfs/dbraw/zinc/29/38/07/192293807.db2.gz LUQZKRYOPJBGKO-MRXNPFEDSA-N 2 1 303.450 2.679 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000081571016 192293809 /nfs/dbraw/zinc/29/38/09/192293809.db2.gz LUQZKRYOPJBGKO-MRXNPFEDSA-N 2 1 303.450 2.679 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000081571016 192293812 /nfs/dbraw/zinc/29/38/12/192293812.db2.gz LUQZKRYOPJBGKO-MRXNPFEDSA-N 2 1 303.450 2.679 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2CC[NH2+]C2)c1 ZINC000236830277 202029188 /nfs/dbraw/zinc/02/91/88/202029188.db2.gz SGFNTNSCUNOOAP-HNNXBMFYSA-N 2 1 312.417 2.603 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000075007968 398780332 /nfs/dbraw/zinc/78/03/32/398780332.db2.gz MRXVOPWLOOCQPY-UHFFFAOYSA-N 2 1 311.495 2.774 20 0 DFADMP CS[C@H](C[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000591759495 398784852 /nfs/dbraw/zinc/78/48/52/398784852.db2.gz WIVSQLSCEGSYCD-DLBZAZTESA-N 2 1 324.534 2.847 20 0 DFADMP CS[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000591759495 398784855 /nfs/dbraw/zinc/78/48/55/398784855.db2.gz WIVSQLSCEGSYCD-DLBZAZTESA-N 2 1 324.534 2.847 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1cccs1 ZINC000048750415 398788080 /nfs/dbraw/zinc/78/80/80/398788080.db2.gz QQDURVRKVYFHPI-UHFFFAOYSA-N 2 1 301.419 2.823 20 0 DFADMP CCC[C@@H](C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000136206382 283237208 /nfs/dbraw/zinc/23/72/08/283237208.db2.gz RVPPUXIXCQCLBP-BBWFWOEESA-N 2 1 311.514 2.591 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000178228848 198835331 /nfs/dbraw/zinc/83/53/31/198835331.db2.gz NHJRJUGJJJKEEK-DOTOQJQBSA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000178228848 198835333 /nfs/dbraw/zinc/83/53/33/198835333.db2.gz NHJRJUGJJJKEEK-DOTOQJQBSA-N 2 1 317.477 2.736 20 0 DFADMP CCc1ccc(C[NH+]2CCN(CC[NH+]3CCCCC3)CC2)s1 ZINC000151131418 283277063 /nfs/dbraw/zinc/27/70/63/283277063.db2.gz BOALBROEPAOGHM-UHFFFAOYSA-N 2 1 321.534 2.914 20 0 DFADMP CS[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000594494436 398808713 /nfs/dbraw/zinc/80/87/13/398808713.db2.gz BHVLFSPYHRYFKC-BRWVUGGUSA-N 2 1 312.523 2.894 20 0 DFADMP CCc1nncn1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000151523318 283287225 /nfs/dbraw/zinc/28/72/25/283287225.db2.gz HDDVAROQRCBXRR-CQSZACIVSA-N 2 1 324.432 2.685 20 0 DFADMP CC(C)CSCCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594503091 398811636 /nfs/dbraw/zinc/81/16/36/398811636.db2.gz SKBJELJOGFQEDI-MRXNPFEDSA-N 2 1 300.512 2.609 20 0 DFADMP CC(C)CSCCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594503179 398811659 /nfs/dbraw/zinc/81/16/59/398811659.db2.gz VFXAXQBGJATUIQ-QGZVFWFLSA-N 2 1 314.539 2.999 20 0 DFADMP CC(C)(C)OC(=O)c1cccc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000594499924 398810914 /nfs/dbraw/zinc/81/09/14/398810914.db2.gz HXCNZEONRCGVIB-UHFFFAOYSA-N 2 1 304.434 2.827 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000179469846 199041809 /nfs/dbraw/zinc/04/18/09/199041809.db2.gz JLXODDYBRYHDKL-QGZVFWFLSA-N 2 1 306.425 2.905 20 0 DFADMP CSCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594525572 398816374 /nfs/dbraw/zinc/81/63/74/398816374.db2.gz VMJFMPZHGDXQHF-GOSISDBHSA-N 2 1 320.502 2.893 20 0 DFADMP CC[NH+]1CCN(c2ccccc2N[C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000179776710 199078774 /nfs/dbraw/zinc/07/87/74/199078774.db2.gz MQAYSUHLVBBMDU-SJORKVTESA-N 2 1 316.493 2.723 20 0 DFADMP CC[C@H](COC)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166648 199125900 /nfs/dbraw/zinc/12/59/00/199125900.db2.gz XCVPNHCBSZQBKS-RDGPPVDQSA-N 2 1 302.462 2.912 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)oc1C ZINC000594734590 398851436 /nfs/dbraw/zinc/85/14/36/398851436.db2.gz BZOGQEPESOMPLM-HNNXBMFYSA-N 2 1 320.433 2.586 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000152987404 283348075 /nfs/dbraw/zinc/34/80/75/283348075.db2.gz YVIFQKRBUWFQDI-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000152987404 283348080 /nfs/dbraw/zinc/34/80/80/283348080.db2.gz YVIFQKRBUWFQDI-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000153153484 283354903 /nfs/dbraw/zinc/35/49/03/283354903.db2.gz VJSCLHDXSCPPJC-SOLBZPMBSA-N 2 1 302.462 2.980 20 0 DFADMP C[C@H](C(=O)N1CC[N@H+](C)Cc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000237407312 202256681 /nfs/dbraw/zinc/25/66/81/202256681.db2.gz RKYLLRLHTNSYCY-HNAYVOBHSA-N 2 1 323.440 2.801 20 0 DFADMP C[C@H](C(=O)N1CC[N@@H+](C)Cc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000237407312 202256684 /nfs/dbraw/zinc/25/66/84/202256684.db2.gz RKYLLRLHTNSYCY-HNAYVOBHSA-N 2 1 323.440 2.801 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[C@@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276626478 213008911 /nfs/dbraw/zinc/00/89/11/213008911.db2.gz NBDHSZRDRBQWPE-JCHJZTRSSA-N 2 1 302.462 2.648 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000276627706 213009109 /nfs/dbraw/zinc/00/91/09/213009109.db2.gz IYTJXMWISFUVTQ-MSOLQXFVSA-N 2 1 313.445 2.936 20 0 DFADMP C[C@@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000237423876 202261018 /nfs/dbraw/zinc/26/10/18/202261018.db2.gz DMZNENQRTIXGLJ-DLBZAZTESA-N 2 1 323.525 2.783 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1C ZINC000594978232 398885243 /nfs/dbraw/zinc/88/52/43/398885243.db2.gz REGGVALTVFSOBV-CVYDXHPNSA-N 2 1 322.493 2.961 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1C ZINC000594978232 398885247 /nfs/dbraw/zinc/88/52/47/398885247.db2.gz REGGVALTVFSOBV-CVYDXHPNSA-N 2 1 322.493 2.961 20 0 DFADMP O[C@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]cc2Cl)C1 ZINC000181144255 199256970 /nfs/dbraw/zinc/25/69/70/199256970.db2.gz QCXFMCTYKRBZPQ-HNNXBMFYSA-N 2 1 317.820 2.914 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2Cl)C1 ZINC000181144255 199256972 /nfs/dbraw/zinc/25/69/72/199256972.db2.gz QCXFMCTYKRBZPQ-HNNXBMFYSA-N 2 1 317.820 2.914 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000077316824 398897536 /nfs/dbraw/zinc/89/75/36/398897536.db2.gz OVVKCYIRZWCXJK-OAHLLOKOSA-N 2 1 318.465 2.523 20 0 DFADMP C(C[NH+]1CCCO[C@@H]2CCC[C@H]21)C[N@H+]1CCCO[C@H]2CCC[C@@H]21 ZINC000077316979 398897719 /nfs/dbraw/zinc/89/77/19/398897719.db2.gz ROQKJHVQXMACGJ-QGFMHUBQSA-N 2 1 322.493 2.663 20 0 DFADMP C(C[NH+]1CCCO[C@H]2CCC[C@@H]21)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000077316979 398897722 /nfs/dbraw/zinc/89/77/22/398897722.db2.gz ROQKJHVQXMACGJ-QGFMHUBQSA-N 2 1 322.493 2.663 20 0 DFADMP C(C[NH+]1CCCO[C@H]2CCC[C@@H]21)C[N@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000077316979 398897724 /nfs/dbraw/zinc/89/77/24/398897724.db2.gz ROQKJHVQXMACGJ-QGFMHUBQSA-N 2 1 322.493 2.663 20 0 DFADMP C[S@](=O)[C@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000595068097 398901921 /nfs/dbraw/zinc/90/19/21/398901921.db2.gz ISQZZMICPGCBOY-AVYPCKFXSA-N 2 1 300.512 2.529 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000598981094 398902269 /nfs/dbraw/zinc/90/22/69/398902269.db2.gz MCGUWPHBALLGPL-RRFJBIMHSA-N 2 1 310.482 2.959 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@@H]2CCC[C@H]21 ZINC000595098121 398904478 /nfs/dbraw/zinc/90/44/78/398904478.db2.gz AUCJZVWRIQIZAG-HRCADAONSA-N 2 1 322.493 2.961 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2)C(C)C)CC1 ZINC000187066488 200055922 /nfs/dbraw/zinc/05/59/22/200055922.db2.gz YEHIHTJRYMKHAV-IBGZPJMESA-N 2 1 304.478 2.954 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000187115359 200064412 /nfs/dbraw/zinc/06/44/12/200064412.db2.gz LKLKBMFRCLTYBL-OAHLLOKOSA-N 2 1 304.434 2.763 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)c2coc(C[NH3+])c2)c1 ZINC000188123921 200198015 /nfs/dbraw/zinc/19/80/15/200198015.db2.gz DBACJEWWDUJHQU-UHFFFAOYSA-N 2 1 315.417 2.509 20 0 DFADMP Cc1ccc([C@@H](CNC(=O)c2c[nH+]ccc2N)[NH+]2CCCC2)cc1 ZINC000188132955 200198506 /nfs/dbraw/zinc/19/85/06/200198506.db2.gz GDUCGUGLVIFDHK-GOSISDBHSA-N 2 1 324.428 2.539 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H](c2ncccc2C)C1 ZINC000281136156 216102707 /nfs/dbraw/zinc/10/27/07/216102707.db2.gz FLQFNNJOAWROKJ-QZTJIDSGSA-N 2 1 319.493 2.974 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417348820 296012616 /nfs/dbraw/zinc/01/26/16/296012616.db2.gz ZHGWOUHRLDWHRU-VNQPRFMTSA-N 2 1 308.491 2.677 20 0 DFADMP Cn1cc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471837063 299309006 /nfs/dbraw/zinc/30/90/06/299309006.db2.gz YTISLVYDBJCKFS-OALUTQOASA-N 2 1 312.461 2.592 20 0 DFADMP COC(=O)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000599296326 398949561 /nfs/dbraw/zinc/94/95/61/398949561.db2.gz UYUYCRZKUMRSCP-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000599296326 398949566 /nfs/dbraw/zinc/94/95/66/398949566.db2.gz UYUYCRZKUMRSCP-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000599296326 398949568 /nfs/dbraw/zinc/94/95/68/398949568.db2.gz UYUYCRZKUMRSCP-DLBZAZTESA-N 2 1 310.482 2.916 20 0 DFADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000078420917 398955589 /nfs/dbraw/zinc/95/55/89/398955589.db2.gz NVUJLODUABRIDG-IBGZPJMESA-N 2 1 301.478 2.725 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000078420917 398955593 /nfs/dbraw/zinc/95/55/93/398955593.db2.gz NVUJLODUABRIDG-IBGZPJMESA-N 2 1 301.478 2.725 20 0 DFADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1ccnc2c(Cl)cccc12 ZINC000292455160 223092768 /nfs/dbraw/zinc/09/27/68/223092768.db2.gz ZOXKIZMSIHSLTO-IUODEOHRSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ncc(Br)s1 ZINC000271895375 209304730 /nfs/dbraw/zinc/30/47/30/209304730.db2.gz TTYNXRUYXFXJOC-SECBINFHSA-N 2 1 316.268 2.818 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ncc(Br)s1 ZINC000271895375 209304732 /nfs/dbraw/zinc/30/47/32/209304732.db2.gz TTYNXRUYXFXJOC-SECBINFHSA-N 2 1 316.268 2.818 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271885115 209296128 /nfs/dbraw/zinc/29/61/28/209296128.db2.gz QJXFRSJXWUIGTA-OAHLLOKOSA-N 2 1 301.434 2.564 20 0 DFADMP c1cc(CCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000193253626 201014778 /nfs/dbraw/zinc/01/47/78/201014778.db2.gz JBQPVWOSLVUZCO-GOSISDBHSA-N 2 1 314.473 2.972 20 0 DFADMP C[N@@H+](CCSCCC[NH+]1CCOCC1)Cc1ccccc1 ZINC000193620003 201087386 /nfs/dbraw/zinc/08/73/86/201087386.db2.gz PGJNYTPFJDVMDK-UHFFFAOYSA-N 2 1 308.491 2.574 20 0 DFADMP COc1ccc(CC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472485869 299326330 /nfs/dbraw/zinc/32/63/30/299326330.db2.gz ZIYAZMCZZDTATA-GOSISDBHSA-N 2 1 302.462 2.901 20 0 DFADMP COc1ccc(CC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000472485869 299326332 /nfs/dbraw/zinc/32/63/32/299326332.db2.gz ZIYAZMCZZDTATA-GOSISDBHSA-N 2 1 302.462 2.901 20 0 DFADMP COc1ccc(CC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000472485869 299326335 /nfs/dbraw/zinc/32/63/35/299326335.db2.gz ZIYAZMCZZDTATA-GOSISDBHSA-N 2 1 302.462 2.901 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000193872038 201135465 /nfs/dbraw/zinc/13/54/65/201135465.db2.gz MOJFPYXYHFZQLH-FUHWJXTLSA-N 2 1 316.445 2.582 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2CC)cc1 ZINC000078670205 398978767 /nfs/dbraw/zinc/97/87/67/398978767.db2.gz ORTXJSSXCFUMMU-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP COc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1C ZINC000193903440 201141855 /nfs/dbraw/zinc/14/18/55/201141855.db2.gz ZVOZMGKMFLVMEN-INIZCTEOSA-N 2 1 320.477 2.528 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCC=CO3)CC2)oc1C ZINC000194380489 201213395 /nfs/dbraw/zinc/21/33/95/201213395.db2.gz BJHLYXZHSUGZGX-KRWDZBQOSA-N 2 1 319.449 2.786 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194536201 201246848 /nfs/dbraw/zinc/24/68/48/201246848.db2.gz ADCHYSQLCMIZHS-KDURUIRLSA-N 2 1 323.440 2.751 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000194536201 201246850 /nfs/dbraw/zinc/24/68/50/201246850.db2.gz ADCHYSQLCMIZHS-KDURUIRLSA-N 2 1 323.440 2.751 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000194536201 201246853 /nfs/dbraw/zinc/24/68/53/201246853.db2.gz ADCHYSQLCMIZHS-KDURUIRLSA-N 2 1 323.440 2.751 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000194536201 201246855 /nfs/dbraw/zinc/24/68/55/201246855.db2.gz ADCHYSQLCMIZHS-KDURUIRLSA-N 2 1 323.440 2.751 20 0 DFADMP Cc1cc(NCCN2CC[N@H+](C)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000281553217 216380079 /nfs/dbraw/zinc/38/00/79/216380079.db2.gz CGLCPPOTAXUYOZ-UHFFFAOYSA-N 2 1 312.461 2.981 20 0 DFADMP Cc1cc(NCC[N@H+]2CCN(C)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000281553217 216380081 /nfs/dbraw/zinc/38/00/81/216380081.db2.gz CGLCPPOTAXUYOZ-UHFFFAOYSA-N 2 1 312.461 2.981 20 0 DFADMP Cc1cc(NCC[N@@H+]2CCN(C)C(C)(C)C2)c2ccccc2[nH+]1 ZINC000281553217 216380085 /nfs/dbraw/zinc/38/00/85/216380085.db2.gz CGLCPPOTAXUYOZ-UHFFFAOYSA-N 2 1 312.461 2.981 20 0 DFADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC(C)C ZINC000271840778 209259418 /nfs/dbraw/zinc/25/94/18/209259418.db2.gz QRZHVUSXPZMAHP-UHFFFAOYSA-N 2 1 304.434 2.834 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)CC[C@H]2CCC[NH2+]C2)c1 ZINC000621642829 399007213 /nfs/dbraw/zinc/00/72/13/399007213.db2.gz WVNNNXAVASCMCU-MRXNPFEDSA-N 2 1 317.477 2.534 20 0 DFADMP CC(C)(C)c1nc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cs1 ZINC000275460387 212347816 /nfs/dbraw/zinc/34/78/16/212347816.db2.gz GZVDZINUBGAUEU-LBPRGKRZSA-N 2 1 304.463 2.989 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC1 ZINC000271803086 209229589 /nfs/dbraw/zinc/22/95/89/209229589.db2.gz JIMWOJXSJWOIKA-UHFFFAOYSA-N 2 1 300.381 2.567 20 0 DFADMP FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275358067 212288412 /nfs/dbraw/zinc/28/84/12/212288412.db2.gz ASBKYKGYMDXHFK-LBPRGKRZSA-N 2 1 307.344 2.837 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418143977 296080652 /nfs/dbraw/zinc/08/06/52/296080652.db2.gz RQZWHSGIRBBWIY-DOTOQJQBSA-N 2 1 324.513 2.600 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cc1 ZINC000618194143 399039471 /nfs/dbraw/zinc/03/94/71/399039471.db2.gz RPIHSFWOVIMWDQ-UHFFFAOYSA-N 2 1 317.477 2.552 20 0 DFADMP CCOC(=O)[C@@H](CC)[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599661395 399050009 /nfs/dbraw/zinc/05/00/09/399050009.db2.gz VDPGSKNZNPOGNJ-QGZVFWFLSA-N 2 1 306.450 2.912 20 0 DFADMP CCOC(=O)[C@@H](CC)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000599661395 399050017 /nfs/dbraw/zinc/05/00/17/399050017.db2.gz VDPGSKNZNPOGNJ-QGZVFWFLSA-N 2 1 306.450 2.912 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000293031619 223360940 /nfs/dbraw/zinc/36/09/40/223360940.db2.gz PVGUKUIMMJPAKQ-QFBILLFUSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000293031619 223360941 /nfs/dbraw/zinc/36/09/41/223360941.db2.gz PVGUKUIMMJPAKQ-QFBILLFUSA-N 2 1 324.472 2.970 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@@H]2CCCC[C@@H]12 ZINC000595734608 399061959 /nfs/dbraw/zinc/06/19/59/399061959.db2.gz UJJJNDBLVFFCPO-MWDXBVQZSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@@H]2CCCC[C@@H]12 ZINC000595734608 399061962 /nfs/dbraw/zinc/06/19/62/399061962.db2.gz UJJJNDBLVFFCPO-MWDXBVQZSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@@H]2CCCC[C@@H]12 ZINC000595734608 399061965 /nfs/dbraw/zinc/06/19/65/399061965.db2.gz UJJJNDBLVFFCPO-MWDXBVQZSA-N 2 1 308.466 2.524 20 0 DFADMP Cc1cccc(C)c1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000606433749 399068511 /nfs/dbraw/zinc/06/85/11/399068511.db2.gz JBUOXGYFGVRYCK-SFHVURJKSA-N 2 1 301.478 2.515 20 0 DFADMP CCO[C@@H]1CCC[NH+](C/C=C\C[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000606439223 399069800 /nfs/dbraw/zinc/06/98/00/399069800.db2.gz LHFHNXKMGWIFEJ-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](C/C=C\C[NH+]2CCC[C@H](OCC)C2)C1 ZINC000606439223 399069808 /nfs/dbraw/zinc/06/98/08/399069808.db2.gz LHFHNXKMGWIFEJ-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CCO[C@@H]1CCC[N@H+](C/C=C\C[NH+]2CCC[C@H](OCC)C2)C1 ZINC000606439223 399069813 /nfs/dbraw/zinc/06/98/13/399069813.db2.gz LHFHNXKMGWIFEJ-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+](C(C)C)C(C)C)c1ccccc1 ZINC000057893088 399070212 /nfs/dbraw/zinc/07/02/12/399070212.db2.gz RMLLRJKEEJUWKE-GOSISDBHSA-N 2 1 319.493 2.914 20 0 DFADMP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000479532085 299379243 /nfs/dbraw/zinc/37/92/43/299379243.db2.gz XIZCVIBKGGTYIU-WWDZGPRUSA-N 2 1 300.446 2.987 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253598 193181049 /nfs/dbraw/zinc/18/10/49/193181049.db2.gz YINPQLYDGZYLDP-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)ccc1OC ZINC000092253598 193181051 /nfs/dbraw/zinc/18/10/51/193181051.db2.gz YINPQLYDGZYLDP-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)ccc1OC ZINC000092253598 193181053 /nfs/dbraw/zinc/18/10/53/193181053.db2.gz YINPQLYDGZYLDP-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1cc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)ccc1OC ZINC000092253598 193181055 /nfs/dbraw/zinc/18/10/55/193181055.db2.gz YINPQLYDGZYLDP-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000480349433 299387526 /nfs/dbraw/zinc/38/75/26/299387526.db2.gz QUEGXKWBQLYIEQ-QGZVFWFLSA-N 2 1 311.514 2.924 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccc(F)cn1 ZINC000271287885 296121983 /nfs/dbraw/zinc/12/19/83/296121983.db2.gz DLOLXAWMSMEJRA-QLFBSQMISA-N 2 1 309.429 2.761 20 0 DFADMP CC(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000338459889 284116790 /nfs/dbraw/zinc/11/67/90/284116790.db2.gz TWOGKBQSCMSJAZ-OALUTQOASA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000338459889 284116791 /nfs/dbraw/zinc/11/67/91/284116791.db2.gz TWOGKBQSCMSJAZ-OALUTQOASA-N 2 1 304.478 2.895 20 0 DFADMP CCC(CC)C[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000093142035 193207567 /nfs/dbraw/zinc/20/75/67/193207567.db2.gz ROOBPOYMOABIRH-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)c(F)c1 ZINC000340172817 284154887 /nfs/dbraw/zinc/15/48/87/284154887.db2.gz BSAUARDNWFCOON-AWEZNQCLSA-N 2 1 317.364 2.715 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000262631273 203359120 /nfs/dbraw/zinc/35/91/20/203359120.db2.gz HEMJCHOYSNNTFG-WMZOPIPTSA-N 2 1 317.477 2.623 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000093596995 193271302 /nfs/dbraw/zinc/27/13/02/193271302.db2.gz FGPJWIXPZXDGKG-QGZVFWFLSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000093596995 193271304 /nfs/dbraw/zinc/27/13/04/193271304.db2.gz FGPJWIXPZXDGKG-QGZVFWFLSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000093596997 193271895 /nfs/dbraw/zinc/27/18/95/193271895.db2.gz FGPJWIXPZXDGKG-KRWDZBQOSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1C ZINC000093596997 193271897 /nfs/dbraw/zinc/27/18/97/193271897.db2.gz FGPJWIXPZXDGKG-KRWDZBQOSA-N 2 1 304.482 2.828 20 0 DFADMP CCn1nc(C)c(C[N@@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000093683549 193288864 /nfs/dbraw/zinc/28/88/64/193288864.db2.gz SAYWAUUVQXUTKS-QGZVFWFLSA-N 2 1 304.482 2.828 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1C ZINC000093683549 193288865 /nfs/dbraw/zinc/28/88/65/193288865.db2.gz SAYWAUUVQXUTKS-QGZVFWFLSA-N 2 1 304.482 2.828 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000093692961 193291102 /nfs/dbraw/zinc/29/11/02/193291102.db2.gz JXRXECAPKRBDNT-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc(OCCOC)c2)C1 ZINC000093692961 193291104 /nfs/dbraw/zinc/29/11/04/193291104.db2.gz JXRXECAPKRBDNT-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP COCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093643919 193281395 /nfs/dbraw/zinc/28/13/95/193281395.db2.gz JCFVAKGYGXWGHB-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000093643919 193281397 /nfs/dbraw/zinc/28/13/97/193281397.db2.gz JCFVAKGYGXWGHB-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000093643919 193281399 /nfs/dbraw/zinc/28/13/99/193281399.db2.gz JCFVAKGYGXWGHB-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000093643919 193281401 /nfs/dbraw/zinc/28/14/01/193281401.db2.gz JCFVAKGYGXWGHB-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cnc21 ZINC000340419913 284183094 /nfs/dbraw/zinc/18/30/94/284183094.db2.gz ZBTXIXQQXQIJAO-IAGOWNOFSA-N 2 1 313.449 2.729 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cnc21 ZINC000340419913 284183097 /nfs/dbraw/zinc/18/30/97/284183097.db2.gz ZBTXIXQQXQIJAO-IAGOWNOFSA-N 2 1 313.449 2.729 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000341007979 284227942 /nfs/dbraw/zinc/22/79/42/284227942.db2.gz JSECZKNANLVNPL-WMZOPIPTSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnn(C(C)C)c2)[C@@H](C)C1 ZINC000341007979 284227943 /nfs/dbraw/zinc/22/79/43/284227943.db2.gz JSECZKNANLVNPL-WMZOPIPTSA-N 2 1 322.497 2.691 20 0 DFADMP C[C@@H](CCC[NH3+])Nc1cc[nH+]c2ccc(Br)cc12 ZINC000420258055 296166569 /nfs/dbraw/zinc/16/65/69/296166569.db2.gz FRPZVZSYGISOMF-JTQLQIEISA-N 2 1 308.223 2.959 20 0 DFADMP CCCc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000600801889 399151572 /nfs/dbraw/zinc/15/15/72/399151572.db2.gz VOHQULGHPNHYNG-LJQANCHMSA-N 2 1 304.478 2.966 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420296438 296170905 /nfs/dbraw/zinc/17/09/05/296170905.db2.gz BZLWCKKQZVPURA-WMLDXEAASA-N 2 1 304.434 2.840 20 0 DFADMP Clc1ccc(CN2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000420296055 296171052 /nfs/dbraw/zinc/17/10/52/296171052.db2.gz CYCMYLHNUZKLMH-MRXNPFEDSA-N 2 1 321.896 2.847 20 0 DFADMP CC(C)CO[C@@H](C)c1noc(C[N@H+](C)CC[C@H]2CCC[NH2+]C2)n1 ZINC000420301599 296171737 /nfs/dbraw/zinc/17/17/37/296171737.db2.gz LPGCCBLHUAVMGC-LSDHHAIUSA-N 2 1 324.469 2.625 20 0 DFADMP CC(C)CO[C@@H](C)c1noc(C[N@@H+](C)CC[C@H]2CCC[NH2+]C2)n1 ZINC000420301599 296171738 /nfs/dbraw/zinc/17/17/38/296171738.db2.gz LPGCCBLHUAVMGC-LSDHHAIUSA-N 2 1 324.469 2.625 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)CC[C@@H]1CCC[NH2+]C1 ZINC000420301732 296171590 /nfs/dbraw/zinc/17/15/90/296171590.db2.gz IYWCQAFGKGCDCD-HNNXBMFYSA-N 2 1 303.450 2.509 20 0 DFADMP c1cc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000420304865 296172063 /nfs/dbraw/zinc/17/20/63/296172063.db2.gz OUNVOGUGWVDGCM-GDBMZVCRSA-N 2 1 302.418 2.942 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000420304313 296172075 /nfs/dbraw/zinc/17/20/75/296172075.db2.gz IOSJNSKZYYLGNG-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2ccn(-c3ccc(Cl)cc3)n2)CC1 ZINC000420304579 296172132 /nfs/dbraw/zinc/17/21/32/296172132.db2.gz YGRAWPFNVMXYPF-UHFFFAOYSA-N 2 1 318.852 2.957 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000420308528 296172825 /nfs/dbraw/zinc/17/28/25/296172825.db2.gz KIPKRMSGJQWNBE-OAHLLOKOSA-N 2 1 309.841 2.743 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000420309905 296172865 /nfs/dbraw/zinc/17/28/65/296172865.db2.gz PCFCBVPOVMRRJW-AWEZNQCLSA-N 2 1 320.485 2.561 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000420306906 296172544 /nfs/dbraw/zinc/17/25/44/296172544.db2.gz LJASQPFDBVWUQC-LUKYLMHMSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000420306906 296172545 /nfs/dbraw/zinc/17/25/45/296172545.db2.gz LJASQPFDBVWUQC-LUKYLMHMSA-N 2 1 315.461 2.690 20 0 DFADMP CCOC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420314820 296173618 /nfs/dbraw/zinc/17/36/18/296173618.db2.gz QVTVSEBKBOHBMK-ZWKOTPCHSA-N 2 1 318.461 2.612 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420321553 296174732 /nfs/dbraw/zinc/17/47/32/296174732.db2.gz CTKCKCWRINFASE-MGPQQGTHSA-N 2 1 309.479 2.672 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000420316526 296174222 /nfs/dbraw/zinc/17/42/22/296174222.db2.gz YIEIHXRAYHDUTB-UHFFFAOYSA-N 2 1 318.396 2.697 20 0 DFADMP c1ccc(COCCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321611 296174950 /nfs/dbraw/zinc/17/49/50/296174950.db2.gz DATHCDJWEDKJBK-MOPGFXCFSA-N 2 1 302.462 2.915 20 0 DFADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@@H]1CCc2ccccc21 ZINC000420322121 296175001 /nfs/dbraw/zinc/17/50/01/296175001.db2.gz RZXZVPJUMKMTJS-ZCNNSNEGSA-N 2 1 310.441 2.537 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420323243 296175113 /nfs/dbraw/zinc/17/51/13/296175113.db2.gz FWZJEXQDYJSGED-MGPQQGTHSA-N 2 1 306.454 2.750 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000420323984 296175441 /nfs/dbraw/zinc/17/54/41/296175441.db2.gz UUPAZUMYFYZYQP-QGZVFWFLSA-N 2 1 314.429 2.748 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326722 296175583 /nfs/dbraw/zinc/17/55/83/296175583.db2.gz KOGLQVVGABCJAP-JZXOWHBKSA-N 2 1 316.445 2.531 20 0 DFADMP CC(C)C1CCC(N2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)CC1 ZINC000420321640 296174867 /nfs/dbraw/zinc/17/48/67/296174867.db2.gz RIFSVIATPRULOI-VIQWUECVSA-N 2 1 307.526 2.818 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)Cc2scnc2C)cc1 ZINC000420326048 296175663 /nfs/dbraw/zinc/17/56/63/296175663.db2.gz WYMAQTHQQZFSMJ-CQSZACIVSA-N 2 1 305.447 2.634 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)Cc2scnc2C)cc1 ZINC000420326048 296175664 /nfs/dbraw/zinc/17/56/64/296175664.db2.gz WYMAQTHQQZFSMJ-CQSZACIVSA-N 2 1 305.447 2.634 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000271729749 209163180 /nfs/dbraw/zinc/16/31/80/209163180.db2.gz VBSHKMLQCUVUBN-UHFFFAOYSA-N 2 1 309.417 2.772 20 0 DFADMP C[C@@H](NCC(C)(C)[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274888847 212012322 /nfs/dbraw/zinc/01/23/22/212012322.db2.gz JAMFBFSMAYBCDZ-SJLPKXTDSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)N(C)C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274888847 212012323 /nfs/dbraw/zinc/01/23/23/212012323.db2.gz JAMFBFSMAYBCDZ-SJLPKXTDSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)N(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274888847 212012325 /nfs/dbraw/zinc/01/23/25/212012325.db2.gz JAMFBFSMAYBCDZ-SJLPKXTDSA-N 2 1 303.494 2.827 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420345390 296178008 /nfs/dbraw/zinc/17/80/08/296178008.db2.gz WCFIHRKKEYPJPS-IAGOWNOFSA-N 2 1 315.461 2.563 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000278238322 214041148 /nfs/dbraw/zinc/04/11/48/214041148.db2.gz LDESJLLAIWPVDI-QFBILLFUSA-N 2 1 317.477 2.631 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420339455 296177568 /nfs/dbraw/zinc/17/75/68/296177568.db2.gz LSKSMVVRMDVRBK-IRXDYDNUSA-N 2 1 316.445 2.590 20 0 DFADMP COCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000062426891 399169458 /nfs/dbraw/zinc/16/94/58/399169458.db2.gz OMWMYRYELYCDOR-KRWDZBQOSA-N 2 1 306.450 2.532 20 0 DFADMP O=C(C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420344097 296178209 /nfs/dbraw/zinc/17/82/09/296178209.db2.gz SAHICBITKKHZAE-UONOGXRCSA-N 2 1 321.852 2.600 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420344097 296178210 /nfs/dbraw/zinc/17/82/10/296178210.db2.gz SAHICBITKKHZAE-UONOGXRCSA-N 2 1 321.852 2.600 20 0 DFADMP Fc1cc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000420347467 296178512 /nfs/dbraw/zinc/17/85/12/296178512.db2.gz GUQFLLHSYWNANB-INIZCTEOSA-N 2 1 312.816 2.933 20 0 DFADMP Fc1cc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000420347467 296178513 /nfs/dbraw/zinc/17/85/13/296178513.db2.gz GUQFLLHSYWNANB-INIZCTEOSA-N 2 1 312.816 2.933 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc2)n1 ZINC000420359317 296179702 /nfs/dbraw/zinc/17/97/02/296179702.db2.gz JUCRDPZCVNFGGU-KRWDZBQOSA-N 2 1 300.450 2.952 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC000282531501 217066902 /nfs/dbraw/zinc/06/69/02/217066902.db2.gz QOIDRPNCGSSWGA-SFHVURJKSA-N 2 1 312.461 2.773 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCn1cccn1 ZINC000282531501 217066904 /nfs/dbraw/zinc/06/69/04/217066904.db2.gz QOIDRPNCGSSWGA-SFHVURJKSA-N 2 1 312.461 2.773 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccccc1Br ZINC000420360699 296179997 /nfs/dbraw/zinc/17/99/97/296179997.db2.gz LJDRTFHPONTQGK-ZDUSSCGKSA-N 2 1 315.255 2.791 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000607516254 399172168 /nfs/dbraw/zinc/17/21/68/399172168.db2.gz FXOURLIUTUXNRL-GOEBONIOSA-N 2 1 321.465 2.534 20 0 DFADMP CC[N@@H+](CCc1nccs1)C[C@H](C[NH3+])c1ccc(OC)cc1 ZINC000420365931 296180781 /nfs/dbraw/zinc/18/07/81/296180781.db2.gz TVIBSRLNUYSHJG-HNNXBMFYSA-N 2 1 319.474 2.759 20 0 DFADMP CC[N@@H+](CCc1nccs1)C[C@@H](C[NH3+])c1ccc(OC)cc1 ZINC000420365935 296180790 /nfs/dbraw/zinc/18/07/90/296180790.db2.gz TVIBSRLNUYSHJG-OAHLLOKOSA-N 2 1 319.474 2.759 20 0 DFADMP CC1CCC(N(C(=O)C[NH2+][C@H]2CC[NH2+]CC2(C)C)C2CC2)CC1 ZINC000420368012 296180977 /nfs/dbraw/zinc/18/09/77/296180977.db2.gz TUITZRVLMIPAMT-DQPZFDDXSA-N 2 1 321.509 2.534 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000282612724 217125622 /nfs/dbraw/zinc/12/56/22/217125622.db2.gz YZUIUYJJOJTSMZ-GOSISDBHSA-N 2 1 312.461 2.773 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1ccnc1 ZINC000282612724 217125625 /nfs/dbraw/zinc/12/56/25/217125625.db2.gz YZUIUYJJOJTSMZ-GOSISDBHSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H]1CCC[C@H](CC[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000420376663 296182888 /nfs/dbraw/zinc/18/28/88/296182888.db2.gz KAWVPNANADTREG-BFYDXBDKSA-N 2 1 305.470 2.590 20 0 DFADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420379319 296183078 /nfs/dbraw/zinc/18/30/78/296183078.db2.gz VDDDTUQZWWBIFB-RDJZCZTQSA-N 2 1 306.425 2.806 20 0 DFADMP Cc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(-c2cnn(C)c2)c1 ZINC000282645011 217148255 /nfs/dbraw/zinc/14/82/55/217148255.db2.gz LKNSEJWIGUNCEF-MRXNPFEDSA-N 2 1 324.472 2.969 20 0 DFADMP Cc1ccccc1CCC[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420382640 296184029 /nfs/dbraw/zinc/18/40/29/296184029.db2.gz AVDSEOOYPFVTFG-MOPGFXCFSA-N 2 1 314.473 2.628 20 0 DFADMP FC1(F)CCC[C@@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420387262 296184281 /nfs/dbraw/zinc/18/42/81/296184281.db2.gz JXLVUZYYIIHFSO-KFWWJZLASA-N 2 1 314.420 2.512 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCCC3CCCCC3)C[C@@H]21 ZINC000342088562 284323737 /nfs/dbraw/zinc/32/37/37/284323737.db2.gz RFISHTQDZNOXTJ-OKZBNKHCSA-N 2 1 321.509 2.522 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420388643 296184890 /nfs/dbraw/zinc/18/48/90/296184890.db2.gz XEVLPSPLCLUOKA-MLGOLLRUSA-N 2 1 319.840 2.788 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000342089282 284324137 /nfs/dbraw/zinc/32/41/37/284324137.db2.gz SQSPAPULFJLBTK-JKSUJKDBSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c(C)c1OC ZINC000342089282 284324141 /nfs/dbraw/zinc/32/41/41/284324141.db2.gz SQSPAPULFJLBTK-JKSUJKDBSA-N 2 1 304.434 2.729 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420395606 296185679 /nfs/dbraw/zinc/18/56/79/296185679.db2.gz DODIFRURUGGBAR-KBPBESRZSA-N 2 1 321.490 2.654 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420399718 296186095 /nfs/dbraw/zinc/18/60/95/296186095.db2.gz OFFCDYATQSLCFL-OKZBNKHCSA-N 2 1 323.525 2.781 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420399718 296186096 /nfs/dbraw/zinc/18/60/96/296186096.db2.gz OFFCDYATQSLCFL-OKZBNKHCSA-N 2 1 323.525 2.781 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCc2nc3ccccc3n2C)CC[N@@H+]1C ZINC000266013487 205026273 /nfs/dbraw/zinc/02/62/73/205026273.db2.gz TXTXVJPQJFINTM-CABCVRRESA-N 2 1 300.450 2.530 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCc2nc3ccccc3n2C)CC[N@H+]1C ZINC000266013487 205026277 /nfs/dbraw/zinc/02/62/77/205026277.db2.gz TXTXVJPQJFINTM-CABCVRRESA-N 2 1 300.450 2.530 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2nc3ccccc3n2C)CC[NH+]1C ZINC000266013487 205026282 /nfs/dbraw/zinc/02/62/82/205026282.db2.gz TXTXVJPQJFINTM-CABCVRRESA-N 2 1 300.450 2.530 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2nc3ccccc3n2C)CC[NH+]1C ZINC000266013487 205026286 /nfs/dbraw/zinc/02/62/86/205026286.db2.gz TXTXVJPQJFINTM-CABCVRRESA-N 2 1 300.450 2.530 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)ccc2o1 ZINC000420422753 296188111 /nfs/dbraw/zinc/18/81/11/296188111.db2.gz ZNMVRQCPMJDQPX-SWLSCSKDSA-N 2 1 316.401 2.636 20 0 DFADMP COc1ccc(COCC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000607739680 399190955 /nfs/dbraw/zinc/19/09/55/399190955.db2.gz VTKMLILLWAHQST-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000607739680 399190963 /nfs/dbraw/zinc/19/09/63/399190963.db2.gz VTKMLILLWAHQST-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000607739680 399190968 /nfs/dbraw/zinc/19/09/68/399190968.db2.gz VTKMLILLWAHQST-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COc1ccc(COCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000607739680 399190973 /nfs/dbraw/zinc/19/09/73/399190973.db2.gz VTKMLILLWAHQST-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@@H](O)c1c(F)cccc1F ZINC000271675431 209117558 /nfs/dbraw/zinc/11/75/58/209117558.db2.gz HFSORJNSCOLHAY-NVXWUHKLSA-N 2 1 312.404 2.851 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000600996891 399198962 /nfs/dbraw/zinc/19/89/62/399198962.db2.gz LZQPHEFACQVGIN-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCCCO ZINC000081013338 399203447 /nfs/dbraw/zinc/20/34/47/399203447.db2.gz DZFZUGFSRDZHRS-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCCCCO ZINC000081013338 399203451 /nfs/dbraw/zinc/20/34/51/399203451.db2.gz DZFZUGFSRDZHRS-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCCCCO ZINC000081013338 399203454 /nfs/dbraw/zinc/20/34/54/399203454.db2.gz DZFZUGFSRDZHRS-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCCCCO ZINC000081013338 399203455 /nfs/dbraw/zinc/20/34/55/399203455.db2.gz DZFZUGFSRDZHRS-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP Cn1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)cn1 ZINC000282900422 217312655 /nfs/dbraw/zinc/31/26/55/217312655.db2.gz FISDZJPDJCEGCB-SFHVURJKSA-N 2 1 312.461 2.810 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)cn1 ZINC000282900422 217312660 /nfs/dbraw/zinc/31/26/60/217312660.db2.gz FISDZJPDJCEGCB-SFHVURJKSA-N 2 1 312.461 2.810 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@H](C)C(C)C ZINC000249357248 284398414 /nfs/dbraw/zinc/39/84/14/284398414.db2.gz RJYKGRBRXNDAJI-AEFFLSMTSA-N 2 1 319.493 2.772 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420903601 296210416 /nfs/dbraw/zinc/21/04/16/296210416.db2.gz BDUSGOXLEWTZKY-SFHVURJKSA-N 2 1 320.502 2.846 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCS1 ZINC000420903601 296210417 /nfs/dbraw/zinc/21/04/17/296210417.db2.gz BDUSGOXLEWTZKY-SFHVURJKSA-N 2 1 320.502 2.846 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cc3cc(F)ccc3o2)CC1 ZINC000608056008 399228465 /nfs/dbraw/zinc/22/84/65/399228465.db2.gz PAHSHDOSFPWEEN-UHFFFAOYSA-N 2 1 319.424 2.689 20 0 DFADMP O[C@H]1C[C@@H](C[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)C1 ZINC000420915786 296211571 /nfs/dbraw/zinc/21/15/71/296211571.db2.gz MWADZHHAMQOWSA-ZCNNSNEGSA-N 2 1 314.473 2.745 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)C1 ZINC000420915786 296211572 /nfs/dbraw/zinc/21/15/72/296211572.db2.gz MWADZHHAMQOWSA-ZCNNSNEGSA-N 2 1 314.473 2.745 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)C1 ZINC000420915786 296211573 /nfs/dbraw/zinc/21/15/73/296211573.db2.gz MWADZHHAMQOWSA-ZCNNSNEGSA-N 2 1 314.473 2.745 20 0 DFADMP CC(C)OCCC[N@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420916288 296211579 /nfs/dbraw/zinc/21/15/79/296211579.db2.gz OESDSSOEOBFQTL-UHFFFAOYSA-N 2 1 320.477 2.766 20 0 DFADMP CC(C)OCCC[N@@H+](C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420916288 296211581 /nfs/dbraw/zinc/21/15/81/296211581.db2.gz OESDSSOEOBFQTL-UHFFFAOYSA-N 2 1 320.477 2.766 20 0 DFADMP COCc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000608057160 399228914 /nfs/dbraw/zinc/22/89/14/399228914.db2.gz SZOMUEIZLAPMLE-IBGZPJMESA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H]1CCSCC[N@@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924108 296212828 /nfs/dbraw/zinc/21/28/28/296212828.db2.gz RTCGMJYVPGLACB-MRXNPFEDSA-N 2 1 320.502 2.846 20 0 DFADMP C[C@@H]1CCSCC[N@H+]1Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420924108 296212829 /nfs/dbraw/zinc/21/28/29/296212829.db2.gz RTCGMJYVPGLACB-MRXNPFEDSA-N 2 1 320.502 2.846 20 0 DFADMP O[C@H]1C[C@@H](C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000420945215 296216223 /nfs/dbraw/zinc/21/62/23/296216223.db2.gz YQKNZYMJJLGZTK-YSTOQKLRSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000420945215 296216225 /nfs/dbraw/zinc/21/62/25/296216225.db2.gz YQKNZYMJJLGZTK-YSTOQKLRSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000420945215 296216226 /nfs/dbraw/zinc/21/62/26/296216226.db2.gz YQKNZYMJJLGZTK-YSTOQKLRSA-N 2 1 314.473 2.744 20 0 DFADMP CC(C)[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682039598 545781555 /nfs/dbraw/zinc/78/15/55/545781555.db2.gz HZTHHMRMRAGYBK-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682039598 545781558 /nfs/dbraw/zinc/78/15/58/545781558.db2.gz HZTHHMRMRAGYBK-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000682039598 545781562 /nfs/dbraw/zinc/78/15/62/545781562.db2.gz HZTHHMRMRAGYBK-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000682039598 545781564 /nfs/dbraw/zinc/78/15/64/545781564.db2.gz HZTHHMRMRAGYBK-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP CCC(CC)(CCO)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420961296 296218015 /nfs/dbraw/zinc/21/80/15/296218015.db2.gz IZQBILHKKGWYEN-UHFFFAOYSA-N 2 1 320.477 2.550 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3ccccn3)CC2)CC1 ZINC000420977389 296220126 /nfs/dbraw/zinc/22/01/26/296220126.db2.gz HYBHSGYAGJVZIV-QGZVFWFLSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000618986573 399271099 /nfs/dbraw/zinc/27/10/99/399271099.db2.gz GMBIXXVHFGCGJS-FUHWJXTLSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000618987820 399271868 /nfs/dbraw/zinc/27/18/68/399271868.db2.gz UZFPOYNPSAPZFH-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1c(Cl)c(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nn1C ZINC000421360472 296247854 /nfs/dbraw/zinc/24/78/54/296247854.db2.gz ZVZRRLZXUKUUQO-CQSZACIVSA-N 2 1 310.873 2.546 20 0 DFADMP Cc1c(Cl)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)nn1C ZINC000421360472 296247855 /nfs/dbraw/zinc/24/78/55/296247855.db2.gz ZVZRRLZXUKUUQO-CQSZACIVSA-N 2 1 310.873 2.546 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccsc3)CC2)CC1 ZINC000421379261 296250535 /nfs/dbraw/zinc/25/05/35/296250535.db2.gz UETFXOZDZOTWHP-UHFFFAOYSA-N 2 1 307.507 2.740 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCO1 ZINC000421391413 296251862 /nfs/dbraw/zinc/25/18/62/296251862.db2.gz UGTVCYRWNTYPQR-KBPBESRZSA-N 2 1 323.506 2.957 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCO1 ZINC000421391413 296251863 /nfs/dbraw/zinc/25/18/63/296251863.db2.gz UGTVCYRWNTYPQR-KBPBESRZSA-N 2 1 323.506 2.957 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000040600300 183108158 /nfs/dbraw/zinc/10/81/58/183108158.db2.gz FSTAYDOYWUNVPG-ZDUSSCGKSA-N 2 1 309.841 2.600 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)o1 ZINC000609260106 399310577 /nfs/dbraw/zinc/31/05/77/399310577.db2.gz AJNASNKRRBNPSQ-TZMCWYRMSA-N 2 1 317.389 2.969 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)o1 ZINC000609260106 399310581 /nfs/dbraw/zinc/31/05/81/399310581.db2.gz AJNASNKRRBNPSQ-TZMCWYRMSA-N 2 1 317.389 2.969 20 0 DFADMP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609317324 399313557 /nfs/dbraw/zinc/31/35/57/399313557.db2.gz UPXNHOKGPUYGHD-HOTGVXAUSA-N 2 1 319.449 2.856 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000623086682 399324238 /nfs/dbraw/zinc/32/42/38/399324238.db2.gz DRYBRIKTFGXLQT-UHFFFAOYSA-N 2 1 323.824 2.813 20 0 DFADMP Cc1cc(Br)c(C[NH2+]CCc2c[nH+]cn2C)s1 ZINC000623085899 399324248 /nfs/dbraw/zinc/32/42/48/399324248.db2.gz MKAVPIIKEOJSLJ-UHFFFAOYSA-N 2 1 314.252 2.885 20 0 DFADMP Cc1ccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2c1 ZINC000051907751 425883574 /nfs/dbraw/zinc/88/35/74/425883574.db2.gz HBLYQRHWFTYLMV-UHFFFAOYSA-N 2 1 312.461 2.951 20 0 DFADMP COC(=O)C(C)(C)CC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000619424115 399343183 /nfs/dbraw/zinc/34/31/83/399343183.db2.gz UMUKTVHWIDNDFN-OAHLLOKOSA-N 2 1 319.449 2.713 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000619424115 399343184 /nfs/dbraw/zinc/34/31/84/399343184.db2.gz UMUKTVHWIDNDFN-OAHLLOKOSA-N 2 1 319.449 2.713 20 0 DFADMP COC(=O)CC[N@@H+](C)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000104726247 194030882 /nfs/dbraw/zinc/03/08/82/194030882.db2.gz WSPDCWLXMXTORU-UHFFFAOYSA-N 2 1 318.461 2.784 20 0 DFADMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1cccc(F)c1 ZINC000051953175 425883803 /nfs/dbraw/zinc/88/38/03/425883803.db2.gz ZEWJXWLJAIDINN-UHFFFAOYSA-N 2 1 319.424 2.715 20 0 DFADMP CC(C)[N@H+](C)Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000273922726 211176938 /nfs/dbraw/zinc/17/69/38/211176938.db2.gz QVAFGSXSFUNZQU-UHFFFAOYSA-N 2 1 318.421 2.517 20 0 DFADMP CC(C)[N@@H+](C)Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000273922726 211176941 /nfs/dbraw/zinc/17/69/41/211176941.db2.gz QVAFGSXSFUNZQU-UHFFFAOYSA-N 2 1 318.421 2.517 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000105451327 194104764 /nfs/dbraw/zinc/10/47/64/194104764.db2.gz JDFLZFJJVCHFCK-YJBOKZPZSA-N 2 1 319.493 2.766 20 0 DFADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+](C)C)cc1OC1CC1 ZINC000623336160 399365392 /nfs/dbraw/zinc/36/53/92/399365392.db2.gz ZCXBHZBWGMWKRK-UHFFFAOYSA-N 2 1 306.450 2.914 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623356783 399371387 /nfs/dbraw/zinc/37/13/87/399371387.db2.gz HAYNIDUGJZIDDL-MRXNPFEDSA-N 2 1 306.450 2.674 20 0 DFADMP COCC[N@H+](C)CCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623356725 399371162 /nfs/dbraw/zinc/37/11/62/399371162.db2.gz CHABYMBQFYCTPQ-UHFFFAOYSA-N 2 1 310.385 2.825 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623356725 399371163 /nfs/dbraw/zinc/37/11/63/399371163.db2.gz CHABYMBQFYCTPQ-UHFFFAOYSA-N 2 1 310.385 2.825 20 0 DFADMP CC[C@@H](C)CCC(=O)N1CCC[N@@H+](C2CCN(CC)CC2)CC1 ZINC000422022011 296291835 /nfs/dbraw/zinc/29/18/35/296291835.db2.gz NZLPLXROICBHRM-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CC[C@@H](C)CCC(=O)N1CCC[N@H+](C2CCN(CC)CC2)CC1 ZINC000422022011 296291837 /nfs/dbraw/zinc/29/18/37/296291837.db2.gz NZLPLXROICBHRM-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623356783 399371384 /nfs/dbraw/zinc/37/13/84/399371384.db2.gz HAYNIDUGJZIDDL-MRXNPFEDSA-N 2 1 306.450 2.674 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601974787 399371939 /nfs/dbraw/zinc/37/19/39/399371939.db2.gz VEPIBPVLCZITCD-AWEZNQCLSA-N 2 1 324.852 2.994 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623426327 399386839 /nfs/dbraw/zinc/38/68/39/399386839.db2.gz JICPKRMSMYZDKV-OAHLLOKOSA-N 2 1 306.450 2.927 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000109755260 194282492 /nfs/dbraw/zinc/28/24/92/194282492.db2.gz VUWXVXHILLUOSJ-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000268838735 207003025 /nfs/dbraw/zinc/00/30/25/207003025.db2.gz AFIWAOZUGFFGKI-APWZRJJASA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC1CC1 ZINC000268838735 207003027 /nfs/dbraw/zinc/00/30/27/207003027.db2.gz AFIWAOZUGFFGKI-APWZRJJASA-N 2 1 302.462 2.913 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000268835329 207001671 /nfs/dbraw/zinc/00/16/71/207001671.db2.gz LOEJYFWDGWSNHU-IBGZPJMESA-N 2 1 302.462 2.891 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000268838742 207002654 /nfs/dbraw/zinc/00/26/54/207002654.db2.gz AFIWAOZUGFFGKI-VQIMIIECSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC1CC1 ZINC000268838742 207002659 /nfs/dbraw/zinc/00/26/59/207002659.db2.gz AFIWAOZUGFFGKI-VQIMIIECSA-N 2 1 302.462 2.913 20 0 DFADMP COCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c1 ZINC000422560476 296312783 /nfs/dbraw/zinc/31/27/83/296312783.db2.gz GWSBQAVZTIRJTN-VYDXJSESSA-N 2 1 306.450 2.517 20 0 DFADMP CC(C)(O)C[NH+]1CCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000110490712 194334581 /nfs/dbraw/zinc/33/45/81/194334581.db2.gz HQNQCRQSXKIAPN-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110649746 194345388 /nfs/dbraw/zinc/34/53/88/194345388.db2.gz QHWLKDXRTFBHHH-LBPRGKRZSA-N 2 1 309.841 2.646 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)s2)CC1(C)C ZINC000110758107 194357219 /nfs/dbraw/zinc/35/72/19/194357219.db2.gz BMQGKPYAOOUUPW-UHFFFAOYSA-N 2 1 301.887 2.517 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000422625041 296316423 /nfs/dbraw/zinc/31/64/23/296316423.db2.gz AKGJGJGMTNNTLF-HZSPNIEDSA-N 2 1 323.868 2.974 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000268899740 207069317 /nfs/dbraw/zinc/06/93/17/207069317.db2.gz MCPUUCSZIMEXTP-INIZCTEOSA-N 2 1 319.493 2.875 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1OC ZINC000422699138 296318147 /nfs/dbraw/zinc/31/81/47/296318147.db2.gz AESMZOKDUMLLBI-HRCADAONSA-N 2 1 304.434 2.714 20 0 DFADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000619900368 399402996 /nfs/dbraw/zinc/40/29/96/399402996.db2.gz ZSZOQRYSBRKCDI-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP COc1ccc(Oc2cc(C[NH2+][C@H](C)C3C[NH2+]C3)ccn2)cc1 ZINC000422698394 296318226 /nfs/dbraw/zinc/31/82/26/296318226.db2.gz ZDLBFRPFPCENTF-CYBMUJFWSA-N 2 1 313.401 2.580 20 0 DFADMP CC[C@@H](C)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268930364 207096818 /nfs/dbraw/zinc/09/68/18/207096818.db2.gz ZGPXXRQJWQKSAU-VQIMIIECSA-N 2 1 304.478 2.690 20 0 DFADMP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422708633 296319319 /nfs/dbraw/zinc/31/93/19/296319319.db2.gz CCMGJKVZFVYIRI-GJYPPUQNSA-N 2 1 301.478 2.553 20 0 DFADMP COc1ccc([C@@H](C[NH+](C)C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623517884 399407185 /nfs/dbraw/zinc/40/71/85/399407185.db2.gz XBQYWYGUZMLQCB-FUHWJXTLSA-N 2 1 319.493 2.760 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000159307529 197344354 /nfs/dbraw/zinc/34/43/54/197344354.db2.gz RUVCHAQJCHNXDA-ZDUSSCGKSA-N 2 1 319.449 2.789 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422716183 296320629 /nfs/dbraw/zinc/32/06/29/296320629.db2.gz NBWAIPXROZZPIO-KZNAEPCWSA-N 2 1 318.461 2.721 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)C[NH+]1CCCCC1 ZINC000422717094 296320858 /nfs/dbraw/zinc/32/08/58/296320858.db2.gz VJOIERZLHZWAFG-LSDHHAIUSA-N 3 1 304.482 2.621 20 0 DFADMP CC[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422722925 296321861 /nfs/dbraw/zinc/32/18/61/296321861.db2.gz ZCVNHHPOACEFNN-UFYCRDLUSA-N 2 1 315.505 2.671 20 0 DFADMP Cc1ccc(C[C@@H](CO)[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1C ZINC000623545043 399413085 /nfs/dbraw/zinc/41/30/85/399413085.db2.gz YMHCTCPEYZTJDK-MSOLQXFVSA-N 2 1 304.478 2.669 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000422720078 296321469 /nfs/dbraw/zinc/32/14/69/296321469.db2.gz SBKJOMFADNBDAV-ACBHZAAOSA-N 3 1 319.493 2.556 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1 ZINC000422720078 296321472 /nfs/dbraw/zinc/32/14/72/296321472.db2.gz SBKJOMFADNBDAV-ACBHZAAOSA-N 3 1 319.493 2.556 20 0 DFADMP COc1ccc(CCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1OC ZINC000422724831 296322066 /nfs/dbraw/zinc/32/20/66/296322066.db2.gz WTEBZWIQNODANK-CYBMUJFWSA-N 2 1 315.417 2.795 20 0 DFADMP CCc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@H]2C)[NH+](C)C)cc1 ZINC000422732795 296323330 /nfs/dbraw/zinc/32/33/30/296323330.db2.gz PIOJTJBBZBTAIF-MNEFBYGVSA-N 2 1 303.494 2.829 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C[C@H](C)O)c2ccccc2)[C@H](C)C1 ZINC000269021728 207172807 /nfs/dbraw/zinc/17/28/07/207172807.db2.gz QDBOIBFUTJFNKQ-NEPXVJNWSA-N 2 1 304.478 2.861 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCCC[N@H+](C)C3)c1)O[C@@H](C)C2 ZINC000623655626 399435779 /nfs/dbraw/zinc/43/57/79/399435779.db2.gz APENYFXFZMPBAI-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)c1)O[C@@H](C)C2 ZINC000623655626 399435781 /nfs/dbraw/zinc/43/57/81/399435781.db2.gz APENYFXFZMPBAI-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623656807 399436503 /nfs/dbraw/zinc/43/65/03/399436503.db2.gz CGCQNHDIFSNSQV-AEFFLSMTSA-N 2 1 320.477 2.922 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655641 399437141 /nfs/dbraw/zinc/43/71/41/399437141.db2.gz AZOAMXRMCGLOAM-CVEARBPZSA-N 2 1 303.450 2.725 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000623657692 399437951 /nfs/dbraw/zinc/43/79/51/399437951.db2.gz WRIJIQIPLITXFU-INIZCTEOSA-N 2 1 312.461 2.909 20 0 DFADMP COC(=O)c1[nH]c(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)cc1C ZINC000602449318 399448031 /nfs/dbraw/zinc/44/80/31/399448031.db2.gz QTXVIRKWAWJYOK-UHFFFAOYSA-N 2 1 321.465 2.662 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000269078496 207225926 /nfs/dbraw/zinc/22/59/26/207225926.db2.gz YYIIUVQJJNWNSN-RNIPGJKVSA-N 2 1 304.478 2.894 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000269078496 207225930 /nfs/dbraw/zinc/22/59/30/207225930.db2.gz YYIIUVQJJNWNSN-RNIPGJKVSA-N 2 1 304.478 2.894 20 0 DFADMP C[N@H+](Cc1cc(Br)cs1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911899 184259449 /nfs/dbraw/zinc/25/94/49/184259449.db2.gz DQGAWKVBSFNGPA-LBPRGKRZSA-N 2 1 303.269 2.942 20 0 DFADMP C[N@@H+](Cc1cc(Br)cs1)C[C@@]1(C)CC[NH2+]C1 ZINC000062911899 184259450 /nfs/dbraw/zinc/25/94/50/184259450.db2.gz DQGAWKVBSFNGPA-LBPRGKRZSA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+](Cc1cc(Br)cs1)C[C@]1(C)CC[NH2+]C1 ZINC000062911900 184259479 /nfs/dbraw/zinc/25/94/79/184259479.db2.gz DQGAWKVBSFNGPA-GFCCVEGCSA-N 2 1 303.269 2.942 20 0 DFADMP C[N@@H+](Cc1cc(Br)cs1)C[C@]1(C)CC[NH2+]C1 ZINC000062911900 184259480 /nfs/dbraw/zinc/25/94/80/184259480.db2.gz DQGAWKVBSFNGPA-GFCCVEGCSA-N 2 1 303.269 2.942 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195097 184278039 /nfs/dbraw/zinc/27/80/39/184278039.db2.gz UKTMCXNVQXKGPP-SWLSCSKDSA-N 2 1 309.841 2.870 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000063195097 184278041 /nfs/dbraw/zinc/27/80/41/184278041.db2.gz UKTMCXNVQXKGPP-SWLSCSKDSA-N 2 1 309.841 2.870 20 0 DFADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000063166040 184275265 /nfs/dbraw/zinc/27/52/65/184275265.db2.gz LTVAHXBQNAONSP-UHFFFAOYSA-N 2 1 309.841 2.518 20 0 DFADMP CC1(C)C[C@H](NCc2ccc[nH]c2=O)C[N@@H+]1Cc1ccccc1 ZINC000623777487 399464295 /nfs/dbraw/zinc/46/42/95/399464295.db2.gz HEDDUBZZVWXDSN-KRWDZBQOSA-N 2 1 311.429 2.930 20 0 DFADMP CC1(C)C[C@H](NCc2ccc[nH]c2=O)C[N@H+]1Cc1ccccc1 ZINC000623777487 399464299 /nfs/dbraw/zinc/46/42/99/399464299.db2.gz HEDDUBZZVWXDSN-KRWDZBQOSA-N 2 1 311.429 2.930 20 0 DFADMP C[NH+](C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000269188667 207309663 /nfs/dbraw/zinc/30/96/63/207309663.db2.gz GOTTYBIQNWZBMK-SFHVURJKSA-N 2 1 309.413 2.574 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)c2c[nH+]ccc2N)C1 ZINC000422741143 296324438 /nfs/dbraw/zinc/32/44/38/296324438.db2.gz OFTQZHCPXNWHIN-ZMSDIMECSA-N 2 1 310.445 2.980 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422740769 296324468 /nfs/dbraw/zinc/32/44/68/296324468.db2.gz NEAVPSSHOBPAGI-OGWHTMIXSA-N 2 1 301.478 2.942 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000602543336 399471703 /nfs/dbraw/zinc/47/17/03/399471703.db2.gz BHJSFSVHWNOOKS-CYBMUJFWSA-N 2 1 310.463 2.745 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000602543336 399471706 /nfs/dbraw/zinc/47/17/06/399471706.db2.gz BHJSFSVHWNOOKS-CYBMUJFWSA-N 2 1 310.463 2.745 20 0 DFADMP COC(=O)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000611409344 399471913 /nfs/dbraw/zinc/47/19/13/399471913.db2.gz NGESGVXAMKPZGK-FUHWJXTLSA-N 2 1 318.461 2.830 20 0 DFADMP COC(=O)CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000611409344 399471917 /nfs/dbraw/zinc/47/19/17/399471917.db2.gz NGESGVXAMKPZGK-FUHWJXTLSA-N 2 1 318.461 2.830 20 0 DFADMP CC1CC[NH+](Cc2cccc(CNC3CC[NH2+]CC3)c2)CC1 ZINC000422739838 296324543 /nfs/dbraw/zinc/32/45/43/296324543.db2.gz MAIDJVAPCNMKIP-UHFFFAOYSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422740766 296324606 /nfs/dbraw/zinc/32/46/06/296324606.db2.gz NEAVPSSHOBPAGI-ISARSNTHSA-N 2 1 301.478 2.942 20 0 DFADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422745765 296325340 /nfs/dbraw/zinc/32/53/40/296325340.db2.gz MUXNZJWGTGYJRS-SUMDDJOVSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422744905 296325344 /nfs/dbraw/zinc/32/53/44/296325344.db2.gz UIUABUGEFUMQGR-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422744905 296325345 /nfs/dbraw/zinc/32/53/45/296325345.db2.gz UIUABUGEFUMQGR-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP CCOc1ccc(CC[NH2+][C@H](C)[C@H]2CCC[NH2+]2)cc1OCC ZINC000422751118 296326411 /nfs/dbraw/zinc/32/64/11/296326411.db2.gz CHKAADCGCZBMPN-GDBMZVCRSA-N 2 1 306.450 2.757 20 0 DFADMP CCOc1cc(CCC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)ccc1OC ZINC000422753509 296326934 /nfs/dbraw/zinc/32/69/34/296326934.db2.gz IMNPBGNMACLETF-GDBMZVCRSA-N 2 1 306.450 2.614 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422760018 296327971 /nfs/dbraw/zinc/32/79/71/296327971.db2.gz LKAQVLAVVWGNFV-GJYPPUQNSA-N 2 1 317.477 2.784 20 0 DFADMP Cc1cc(C)n(CCC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000422758972 296328035 /nfs/dbraw/zinc/32/80/35/296328035.db2.gz OMTWNZBAGYOPHO-RTBURBONSA-N 2 1 312.461 2.973 20 0 DFADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000422756729 296327814 /nfs/dbraw/zinc/32/78/14/296327814.db2.gz HZOVZWAFGGYNTK-MAZHCROVSA-N 2 1 317.458 2.652 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000422764248 296329183 /nfs/dbraw/zinc/32/91/83/296329183.db2.gz PSAWVGLDKOCYJC-UKRRQHHQSA-N 2 1 314.408 2.953 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000422764249 296329338 /nfs/dbraw/zinc/32/93/38/296329338.db2.gz PSAWVGLDKOCYJC-ZFWWWQNUSA-N 2 1 314.408 2.953 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCCN(c2cccc(OC)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766080 296329598 /nfs/dbraw/zinc/32/95/98/296329598.db2.gz RLJQMOBAPVHKGW-IPELMVKDSA-N 2 1 317.477 2.784 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2c(c1)OCCO2 ZINC000422766427 296329636 /nfs/dbraw/zinc/32/96/36/296329636.db2.gz XIBFMHZTKUELOR-WMLDXEAASA-N 2 1 312.413 2.506 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@H+]1CCCC[C@H]1C ZINC000422772675 296330581 /nfs/dbraw/zinc/33/05/81/296330581.db2.gz SRWDMIGSGCRTIV-AOIWGVFYSA-N 2 1 303.494 2.799 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)[C@H]1CCCC[NH2+]1 ZINC000422781523 296331808 /nfs/dbraw/zinc/33/18/08/296331808.db2.gz FFBLHKRYVIGTDM-FHLIZLRMSA-N 2 1 306.450 2.973 20 0 DFADMP CC[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422786301 296332809 /nfs/dbraw/zinc/33/28/09/296332809.db2.gz KSTJPUMEBDKCHC-ROUUACIJSA-N 2 1 316.424 2.674 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H](C)C2C[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000422789544 296333260 /nfs/dbraw/zinc/33/32/60/296333260.db2.gz UBXHYUGXMCSWFB-NEPJUHHUSA-N 2 1 302.397 2.578 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CCCCO3)C2)nc(C)[nH+]1 ZINC000623935700 399498630 /nfs/dbraw/zinc/49/86/30/399498630.db2.gz MWHBETDOCHLFTK-BHYGNILZSA-N 2 1 318.465 2.609 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793499 296334030 /nfs/dbraw/zinc/33/40/30/296334030.db2.gz FPROJBNYBBIKQR-RLFYNMQTSA-N 2 1 307.482 2.794 20 0 DFADMP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000623940804 399499823 /nfs/dbraw/zinc/49/98/23/399499823.db2.gz DMUAIWOWHCYBAK-SFHVURJKSA-N 2 1 317.477 2.804 20 0 DFADMP C[N@H+]1CC[C@H](Nc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000623940804 399499825 /nfs/dbraw/zinc/49/98/25/399499825.db2.gz DMUAIWOWHCYBAK-SFHVURJKSA-N 2 1 317.477 2.804 20 0 DFADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422798941 296335160 /nfs/dbraw/zinc/33/51/60/296335160.db2.gz UIXDGXVCTWYQLP-CADBVGFASA-N 2 1 305.510 2.761 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccccc1F ZINC000422810809 296337296 /nfs/dbraw/zinc/33/72/96/296337296.db2.gz NWGYFZHCSJAJMD-XJKSGUPXSA-N 2 1 304.413 2.756 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422813194 296337859 /nfs/dbraw/zinc/33/78/59/296337859.db2.gz XRUJQFHZDJZWEV-RTBURBONSA-N 2 1 301.478 2.684 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842162 399505896 /nfs/dbraw/zinc/50/58/96/399505896.db2.gz WKDCCORTFRBNME-WCFLWFBJSA-N 2 1 309.841 2.502 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000631842162 399505900 /nfs/dbraw/zinc/50/59/00/399505900.db2.gz WKDCCORTFRBNME-WCFLWFBJSA-N 2 1 309.841 2.502 20 0 DFADMP Clc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)cn2c1 ZINC000422816010 296338239 /nfs/dbraw/zinc/33/82/39/296338239.db2.gz CWWHLFYWEINJCK-HRCADAONSA-N 2 1 318.852 2.998 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000631843527 399506434 /nfs/dbraw/zinc/50/64/34/399506434.db2.gz OXUUVWVLJCYNJO-ONIAQPFYSA-N 2 1 317.477 2.559 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@H](C[NH3+])C1)c1ccccc1 ZINC000631843527 399506437 /nfs/dbraw/zinc/50/64/37/399506437.db2.gz OXUUVWVLJCYNJO-ONIAQPFYSA-N 2 1 317.477 2.559 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422839115 296342324 /nfs/dbraw/zinc/34/23/24/296342324.db2.gz ZFZNCTQXULWNRT-QZTJIDSGSA-N 2 1 312.461 2.733 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422833771 296341716 /nfs/dbraw/zinc/34/17/16/296341716.db2.gz WNZQQVZVJJYQJG-QRVBRYPASA-N 2 1 301.478 2.849 20 0 DFADMP C[C@H]([NH2+]CC1(N2CCSCC2)CCCC1)c1c[nH+]ccc1N ZINC000422844937 296343646 /nfs/dbraw/zinc/34/36/46/296343646.db2.gz NEZUJFLJNXLFKV-AWEZNQCLSA-N 2 1 320.506 2.506 20 0 DFADMP COC(=O)c1csc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000602665051 399509633 /nfs/dbraw/zinc/50/96/33/399509633.db2.gz XYLMXCDMGKJRBW-UHFFFAOYSA-N 2 1 307.419 2.562 20 0 DFADMP COC(=O)c1csc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000602665051 399509638 /nfs/dbraw/zinc/50/96/38/399509638.db2.gz XYLMXCDMGKJRBW-UHFFFAOYSA-N 2 1 307.419 2.562 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422841319 296342773 /nfs/dbraw/zinc/34/27/73/296342773.db2.gz VSEHOTSKVPOMNP-NEPXVJNWSA-N 2 1 301.478 2.770 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000422858288 296345879 /nfs/dbraw/zinc/34/58/79/296345879.db2.gz IHASPGMILVIDLF-UKRRQHHQSA-N 2 1 306.450 2.569 20 0 DFADMP C[C@H](CN[C@@H](Cc1ccccc1)[C@H](C)[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000422870837 296347789 /nfs/dbraw/zinc/34/77/89/296347789.db2.gz ZHUYIRWASDKCLQ-VXNCWWDNSA-N 2 1 303.494 2.655 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@@H]2C[NH2+]CC[C@H]2C)CCOCC1 ZINC000422883641 296350193 /nfs/dbraw/zinc/35/01/93/296350193.db2.gz VIHPRDIBUKXLCB-SJLPKXTDSA-N 2 1 302.462 2.631 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1cnccc1N ZINC000422887714 296350980 /nfs/dbraw/zinc/35/09/80/296350980.db2.gz YZVXWQDCEBHGHZ-OWCLPIDISA-N 2 1 304.482 2.903 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422887714 296350981 /nfs/dbraw/zinc/35/09/81/296350981.db2.gz YZVXWQDCEBHGHZ-OWCLPIDISA-N 3 1 304.482 2.903 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1c[nH+]ccc1N ZINC000422887714 296350982 /nfs/dbraw/zinc/35/09/82/296350982.db2.gz YZVXWQDCEBHGHZ-OWCLPIDISA-N 3 1 304.482 2.903 20 0 DFADMP C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422887062 296350830 /nfs/dbraw/zinc/35/08/30/296350830.db2.gz JXTSWTJYQZGEDB-YSDSKTICSA-N 2 1 315.505 2.873 20 0 DFADMP Clc1cccc(C[N@@H+]2CCCC[C@@H]2CN[C@H]2CC[NH2+]C2)c1 ZINC000422900259 296352750 /nfs/dbraw/zinc/35/27/50/296352750.db2.gz AESOQYCKJQZCIE-DLBZAZTESA-N 2 1 307.869 2.646 20 0 DFADMP Clc1cccc(C[N@H+]2CCCC[C@@H]2CN[C@H]2CC[NH2+]C2)c1 ZINC000422900259 296352752 /nfs/dbraw/zinc/35/27/52/296352752.db2.gz AESOQYCKJQZCIE-DLBZAZTESA-N 2 1 307.869 2.646 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902728 296353449 /nfs/dbraw/zinc/35/34/49/296353449.db2.gz VEHVZEKNTQKYSW-IRXDYDNUSA-N 2 1 302.466 2.822 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[NH2+]CC[C@@H]2C)CC1 ZINC000422897831 296352526 /nfs/dbraw/zinc/35/25/26/296352526.db2.gz KHGZVVDOSZTQCD-PXNSSMCTSA-N 2 1 315.505 2.937 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422904232 296353820 /nfs/dbraw/zinc/35/38/20/296353820.db2.gz GKZYDLCNZREVFJ-SNRMKQJTSA-N 2 1 319.493 2.808 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422905655 296354205 /nfs/dbraw/zinc/35/42/05/296354205.db2.gz IOFHFJZVUDBQKA-DEYYWGMASA-N 2 1 323.431 2.659 20 0 DFADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422912835 296355036 /nfs/dbraw/zinc/35/50/36/296355036.db2.gz WZMAQTXYZOGNPF-SNPRPXQTSA-N 2 1 323.868 2.657 20 0 DFADMP C[C@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1c[nH+]ccc1N ZINC000422928716 296356576 /nfs/dbraw/zinc/35/65/76/296356576.db2.gz MFKCBZBJLFKTKO-ZDUSSCGKSA-N 2 1 313.401 2.549 20 0 DFADMP CC(C)[C@H](CN[C@@H](C)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422935688 296357425 /nfs/dbraw/zinc/35/74/25/296357425.db2.gz HKQKJQLOFFYEKG-HQRMLTQVSA-N 2 1 315.505 2.657 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000422935688 296357426 /nfs/dbraw/zinc/35/74/26/296357426.db2.gz HKQKJQLOFFYEKG-HQRMLTQVSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000422941207 296358592 /nfs/dbraw/zinc/35/85/92/296358592.db2.gz OIJKBSSDNBZKID-NUJGCVRESA-N 2 1 317.477 2.592 20 0 DFADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1F ZINC000422934693 296357695 /nfs/dbraw/zinc/35/76/95/296357695.db2.gz GFWKUCWOEMNPPJ-SUMWQHHRSA-N 2 1 302.393 2.882 20 0 DFADMP CC(C)[C@@H](CN[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422947595 296359345 /nfs/dbraw/zinc/35/93/45/296359345.db2.gz YNKRXJZCPKWHMA-WOJBJXKFSA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422947595 296359346 /nfs/dbraw/zinc/35/93/46/296359346.db2.gz YNKRXJZCPKWHMA-WOJBJXKFSA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)[C@@H](CN[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422947594 296359364 /nfs/dbraw/zinc/35/93/64/296359364.db2.gz YNKRXJZCPKWHMA-VQTJNVASSA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422947594 296359367 /nfs/dbraw/zinc/35/93/67/296359367.db2.gz YNKRXJZCPKWHMA-VQTJNVASSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000270026551 208082965 /nfs/dbraw/zinc/08/29/65/208082965.db2.gz XPEOPFOYTNXJAQ-PWSUYJOCSA-N 2 1 302.340 2.999 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[N@H+]1C ZINC000270026551 208082968 /nfs/dbraw/zinc/08/29/68/208082968.db2.gz XPEOPFOYTNXJAQ-PWSUYJOCSA-N 2 1 302.340 2.999 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000422952574 296360405 /nfs/dbraw/zinc/36/04/05/296360405.db2.gz BIDLROIKGNYDCO-YHUYYLMFSA-N 2 1 305.466 2.834 20 0 DFADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422963217 296361558 /nfs/dbraw/zinc/36/15/58/296361558.db2.gz HZQNWIRKAVQQRE-YESZJQIVSA-N 2 1 303.450 2.881 20 0 DFADMP CC[C@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422965754 296361983 /nfs/dbraw/zinc/36/19/83/296361983.db2.gz POQAFUOMKLLNEE-ULQDDVLXSA-N 2 1 305.466 2.927 20 0 DFADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000422968219 296362729 /nfs/dbraw/zinc/36/27/29/296362729.db2.gz QRXKZYQLMJPMOJ-RBUKOAKNSA-N 3 1 301.478 2.888 20 0 DFADMP CC1CCC(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)CC1 ZINC000347542525 285075095 /nfs/dbraw/zinc/07/50/95/285075095.db2.gz PHOZFODUDONVFL-ADKAHSJRSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[N@@H+](C)CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969292 296362542 /nfs/dbraw/zinc/36/25/42/296362542.db2.gz ZOLSICKVHBKRRQ-HKUYNNGSSA-N 2 1 317.477 2.562 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969292 296362544 /nfs/dbraw/zinc/36/25/44/296362544.db2.gz ZOLSICKVHBKRRQ-HKUYNNGSSA-N 3 1 317.477 2.562 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969292 296362547 /nfs/dbraw/zinc/36/25/47/296362547.db2.gz ZOLSICKVHBKRRQ-HKUYNNGSSA-N 3 1 317.477 2.562 20 0 DFADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)OC ZINC000422991451 296364450 /nfs/dbraw/zinc/36/44/50/296364450.db2.gz BBAKJRNGARIVGW-MHORFTMASA-N 2 1 312.498 2.574 20 0 DFADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000422993779 296364920 /nfs/dbraw/zinc/36/49/20/296364920.db2.gz GFGKAOIPCHOCCQ-QOKNQOGYSA-N 2 1 312.461 2.842 20 0 DFADMP Cc1cc(C[C@@H](C)[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000422993775 296364978 /nfs/dbraw/zinc/36/49/78/296364978.db2.gz GFGKAOIPCHOCCQ-ALKREAHSSA-N 2 1 312.461 2.842 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000624037077 399531363 /nfs/dbraw/zinc/53/13/63/399531363.db2.gz LBIOUCJHLNIXIF-WRURNZQNSA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CC[C@H]2CCCOC2)cc1 ZINC000624037077 399531366 /nfs/dbraw/zinc/53/13/66/399531366.db2.gz LBIOUCJHLNIXIF-WRURNZQNSA-N 2 1 314.473 2.913 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000423000693 296365991 /nfs/dbraw/zinc/36/59/91/296365991.db2.gz HEEGOWNBAPYADQ-MSOLQXFVSA-N 2 1 306.450 2.852 20 0 DFADMP c1ccc(CC2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)cc1 ZINC000423001415 296366048 /nfs/dbraw/zinc/36/60/48/296366048.db2.gz WXVITGPUNOOMOL-OTWHNJEPSA-N 2 1 314.473 2.756 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005115 296366176 /nfs/dbraw/zinc/36/61/76/296366176.db2.gz QTUDHVUEWWFZDY-KGLIPLIRSA-N 2 1 302.340 2.735 20 0 DFADMP COc1ccc(COCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422998944 296365515 /nfs/dbraw/zinc/36/55/15/296365515.db2.gz XAJRDVLVDIEQSO-MOPGFXCFSA-N 2 1 312.413 2.946 20 0 DFADMP COc1cccc(COCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422999436 296365558 /nfs/dbraw/zinc/36/55/58/296365558.db2.gz FAUOHVPIOCMHSI-OALUTQOASA-N 2 1 312.413 2.946 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422999438 296365610 /nfs/dbraw/zinc/36/56/10/296365610.db2.gz FAUOHVPIOCMHSI-RTBURBONSA-N 2 1 312.413 2.946 20 0 DFADMP COc1ccc(Oc2ccc(CC[NH2+][C@H]3CC[NH2+]C3)cc2)cc1 ZINC000423008861 296367246 /nfs/dbraw/zinc/36/72/46/296367246.db2.gz BJQPVFVKVMUYQT-INIZCTEOSA-N 2 1 312.413 2.982 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000423006614 296366800 /nfs/dbraw/zinc/36/68/00/296366800.db2.gz WBBVGHIGZOXXDN-WMLDXEAASA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCCN1CC(C)C ZINC000423006614 296366802 /nfs/dbraw/zinc/36/68/02/296366802.db2.gz WBBVGHIGZOXXDN-WMLDXEAASA-N 2 1 304.482 2.620 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000423006182 296366822 /nfs/dbraw/zinc/36/68/22/296366822.db2.gz UKOKCNONOARTNY-BVBHFADKSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2N)C[N@@H+]1Cc1ccccc1 ZINC000423006182 296366823 /nfs/dbraw/zinc/36/68/23/296366823.db2.gz UKOKCNONOARTNY-BVBHFADKSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@H]2CCC[C@@H]2N)C[N@H+]1Cc1ccccc1 ZINC000423006182 296366825 /nfs/dbraw/zinc/36/68/25/296366825.db2.gz UKOKCNONOARTNY-BVBHFADKSA-N 2 1 301.478 2.757 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000625378475 399538401 /nfs/dbraw/zinc/53/84/01/399538401.db2.gz ICEHWEJMMSUGCF-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378475 399538405 /nfs/dbraw/zinc/53/84/05/399538405.db2.gz ICEHWEJMMSUGCF-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378475 399538408 /nfs/dbraw/zinc/53/84/08/399538408.db2.gz ICEHWEJMMSUGCF-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378475 399538410 /nfs/dbraw/zinc/53/84/10/399538410.db2.gz ICEHWEJMMSUGCF-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378475 399538413 /nfs/dbraw/zinc/53/84/13/399538413.db2.gz ICEHWEJMMSUGCF-HKUYNNGSSA-N 2 1 317.477 2.650 20 0 DFADMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000423017925 296368411 /nfs/dbraw/zinc/36/84/11/296368411.db2.gz PXCXWBXEOXKXAP-GUDVDZBRSA-N 2 1 314.473 2.538 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000423064512 296373962 /nfs/dbraw/zinc/37/39/62/296373962.db2.gz RMUBOSMPAGQCLI-IGQOVBAYSA-N 2 1 308.388 2.590 20 0 DFADMP C[C@@]1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC[N@H+]1Cc1ccccc1 ZINC000423066407 296374152 /nfs/dbraw/zinc/37/41/52/296374152.db2.gz WVTQWZIAIDECQV-XNMUZJSGSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@]1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCN1Cc1ccccc1 ZINC000423066407 296374153 /nfs/dbraw/zinc/37/41/53/296374153.db2.gz WVTQWZIAIDECQV-XNMUZJSGSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423070905 296374974 /nfs/dbraw/zinc/37/49/74/296374974.db2.gz GXMWWHDANFKZRL-NBMJBFSESA-N 2 1 304.478 2.736 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000159111974 197328088 /nfs/dbraw/zinc/32/80/88/197328088.db2.gz SHVHLDBSZKACPL-OAHLLOKOSA-N 2 1 306.450 2.847 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000423076287 296375548 /nfs/dbraw/zinc/37/55/48/296375548.db2.gz QTHIIWUYGKVHPV-XWSJACJDSA-N 2 1 320.452 2.802 20 0 DFADMP C[C@](CO)(C[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423079033 296375925 /nfs/dbraw/zinc/37/59/25/296375925.db2.gz PRWNVFNWQKTMOY-SLFFLAALSA-N 2 1 310.441 2.962 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423095442 296377870 /nfs/dbraw/zinc/37/78/70/296377870.db2.gz MFHWJGAVTKVRGJ-OWSLCNJRSA-N 2 1 316.445 2.801 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCCC[N@H+](C)C3)c(C)n2n1 ZINC000624122004 399560241 /nfs/dbraw/zinc/56/02/41/399560241.db2.gz HQOFCGVSCHPIMC-GDBMZVCRSA-N 2 1 315.465 2.729 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCCC[N@@H+](C)C3)c(C)n2n1 ZINC000624122004 399560247 /nfs/dbraw/zinc/56/02/47/399560247.db2.gz HQOFCGVSCHPIMC-GDBMZVCRSA-N 2 1 315.465 2.729 20 0 DFADMP Brc1cncc([C@H]([NH2+]C2CC[NH2+]CC2)C2CC2)c1 ZINC000423108489 296379214 /nfs/dbraw/zinc/37/92/14/296379214.db2.gz RGKHVGXCEIXIQP-CQSZACIVSA-N 2 1 310.239 2.637 20 0 DFADMP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423107776 296378894 /nfs/dbraw/zinc/37/88/94/296378894.db2.gz FDKMGEPTGYKNJZ-YJNKXOJESA-N 2 1 302.409 2.559 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121453 399560765 /nfs/dbraw/zinc/56/07/65/399560765.db2.gz WUUGTLMBKWRPKT-GJZGRUSLSA-N 2 1 321.440 2.864 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286504067 219024444 /nfs/dbraw/zinc/02/44/44/219024444.db2.gz MNRLROVXKRZGLZ-LLCTXKFZSA-N 2 1 324.415 2.805 20 0 DFADMP Cc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@H+](C)C3)CC2)n1 ZINC000624124092 399562342 /nfs/dbraw/zinc/56/23/42/399562342.db2.gz XEBVNVKHSUNUSV-FHERZECASA-N 2 1 306.454 2.726 20 0 DFADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423126055 296381535 /nfs/dbraw/zinc/38/15/35/296381535.db2.gz ANUPVGXJWSKWKT-LTFXXXRZSA-N 2 1 300.446 2.537 20 0 DFADMP CC(C)Oc1ccc([C@@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423122540 296380948 /nfs/dbraw/zinc/38/09/48/296380948.db2.gz JUFGUJYIRLHEBJ-HDMKZQKVSA-N 2 1 307.482 2.792 20 0 DFADMP C[C@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000423121156 296381124 /nfs/dbraw/zinc/38/11/24/296381124.db2.gz IAROMUMMZOARHZ-QGTPRVQTSA-N 2 1 300.446 2.811 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617004227 399564568 /nfs/dbraw/zinc/56/45/68/399564568.db2.gz NJBATMRXJASRSN-CABCVRRESA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617004227 399564574 /nfs/dbraw/zinc/56/45/74/399564574.db2.gz NJBATMRXJASRSN-CABCVRRESA-N 2 1 320.481 2.633 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+]CCC[NH+]1CCCC1 ZINC000347715809 285143059 /nfs/dbraw/zinc/14/30/59/285143059.db2.gz GYSJTHCRUZFFTJ-UHFFFAOYSA-N 2 1 302.447 2.781 20 0 DFADMP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000347715800 285143096 /nfs/dbraw/zinc/14/30/96/285143096.db2.gz GWPUFAGAHZKALX-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000347715800 285143099 /nfs/dbraw/zinc/14/30/99/285143099.db2.gz GWPUFAGAHZKALX-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccccc2C[NH+](C)C(C)C)C1 ZINC000347715800 285143100 /nfs/dbraw/zinc/14/31/00/285143100.db2.gz GWPUFAGAHZKALX-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@@H](C)[C@@H](NCc2ccccc2C[N@H+](C)C(C)C)C1 ZINC000347715800 285143102 /nfs/dbraw/zinc/14/31/02/285143102.db2.gz GWPUFAGAHZKALX-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@@H](C)[C@@H](NCc2ccccc2C[N@@H+](C)C(C)C)C1 ZINC000347715800 285143103 /nfs/dbraw/zinc/14/31/03/285143103.db2.gz GWPUFAGAHZKALX-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000602774469 399566896 /nfs/dbraw/zinc/56/68/96/399566896.db2.gz ZYNFXMHFLADLMN-CYBMUJFWSA-N 2 1 323.437 2.574 20 0 DFADMP CSc1ccc([C@@H](CN[C@@H]2CCC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423143152 296384080 /nfs/dbraw/zinc/38/40/80/296384080.db2.gz CLZRXAPKQXKWGO-NVXWUHKLSA-N 2 1 307.507 2.743 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000602774469 399566899 /nfs/dbraw/zinc/56/68/99/399566899.db2.gz ZYNFXMHFLADLMN-CYBMUJFWSA-N 2 1 323.437 2.574 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423139419 296383454 /nfs/dbraw/zinc/38/34/54/296383454.db2.gz ZWOLRPOWILRMDC-PVAVHDDUSA-N 2 1 305.441 2.915 20 0 DFADMP Cn1nc2c(c1C[NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)CCCC2 ZINC000423139053 296383544 /nfs/dbraw/zinc/38/35/44/296383544.db2.gz KCAGIDOMTURXOD-LPHOPBHVSA-N 2 1 324.472 2.882 20 0 DFADMP C[C@@H]([NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1)C1C[NH2+]C1 ZINC000423148627 296384956 /nfs/dbraw/zinc/38/49/56/296384956.db2.gz WEBWOHUTABIODA-SNVBAGLBSA-N 2 1 300.324 2.772 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cncn2C)C1 ZINC000347730096 285149672 /nfs/dbraw/zinc/14/96/72/285149672.db2.gz CAEIZKIZWBFCRB-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cncn2C)C1 ZINC000347730096 285149673 /nfs/dbraw/zinc/14/96/73/285149673.db2.gz CAEIZKIZWBFCRB-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000347730096 285149675 /nfs/dbraw/zinc/14/96/75/285149675.db2.gz CAEIZKIZWBFCRB-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000347730096 285149678 /nfs/dbraw/zinc/14/96/78/285149678.db2.gz CAEIZKIZWBFCRB-SJORKVTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c2ccccc2O1 ZINC000423152181 296385582 /nfs/dbraw/zinc/38/55/82/296385582.db2.gz DUDUYEYYLWMAKI-WTNVTLLGSA-N 2 1 316.445 2.645 20 0 DFADMP CSc1ccc([C@H](CN[C@@H](C)[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423147638 296385132 /nfs/dbraw/zinc/38/51/32/296385132.db2.gz SLWGFOFHFIALKI-QRTARXTBSA-N 2 1 307.507 2.599 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@H]1CCN[C@@H](c2ccccc2)C1)C1CC1 ZINC000423161889 296386934 /nfs/dbraw/zinc/38/69/34/296386934.db2.gz JXEGSQCZSBURJI-PKOBYXMFSA-N 2 1 301.478 2.944 20 0 DFADMP C[N@H+](CCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC1 ZINC000423161889 296386936 /nfs/dbraw/zinc/38/69/36/296386936.db2.gz JXEGSQCZSBURJI-PKOBYXMFSA-N 3 1 301.478 2.944 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC1 ZINC000423161889 296386937 /nfs/dbraw/zinc/38/69/37/296386937.db2.gz JXEGSQCZSBURJI-PKOBYXMFSA-N 3 1 301.478 2.944 20 0 DFADMP CC1(C)CCC[N@H+]1CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423169240 296387699 /nfs/dbraw/zinc/38/76/99/296387699.db2.gz VVIUBXAQFPMPKR-MSOLQXFVSA-N 2 1 301.478 2.944 20 0 DFADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423169393 296387931 /nfs/dbraw/zinc/38/79/31/296387931.db2.gz JOPNPBDFDUTLTL-JQHSSLGASA-N 2 1 317.477 2.626 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000347771112 285166353 /nfs/dbraw/zinc/16/63/53/285166353.db2.gz BVDBTJIKFLJLMN-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000347771112 285166357 /nfs/dbraw/zinc/16/63/57/285166357.db2.gz BVDBTJIKFLJLMN-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000347771112 285166361 /nfs/dbraw/zinc/16/63/61/285166361.db2.gz BVDBTJIKFLJLMN-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000347771112 285166364 /nfs/dbraw/zinc/16/63/64/285166364.db2.gz BVDBTJIKFLJLMN-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000423182478 296389359 /nfs/dbraw/zinc/38/93/59/296389359.db2.gz DYFHLROQCOQDQS-GUDVDZBRSA-N 2 1 317.477 2.746 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000617011491 399572597 /nfs/dbraw/zinc/57/25/97/399572597.db2.gz GDZFNAVRBMOYQZ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617011491 399572600 /nfs/dbraw/zinc/57/26/00/399572600.db2.gz GDZFNAVRBMOYQZ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617011491 399572605 /nfs/dbraw/zinc/57/26/05/399572605.db2.gz GDZFNAVRBMOYQZ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@H](NCC2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423183450 296389685 /nfs/dbraw/zinc/38/96/85/296389685.db2.gz RXXXJHTXHWOAGO-WMZOPIPTSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000423183450 296389687 /nfs/dbraw/zinc/38/96/87/296389687.db2.gz RXXXJHTXHWOAGO-WMZOPIPTSA-N 2 1 301.478 2.901 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2CC[NH2+]CC2)CC1 ZINC000423184666 296389705 /nfs/dbraw/zinc/38/97/05/296389705.db2.gz MQIXECPMQBNLAE-UHFFFAOYSA-N 3 1 301.478 2.771 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000423185149 296389765 /nfs/dbraw/zinc/38/97/65/296389765.db2.gz JITYOSGLXJZKLC-LBPRGKRZSA-N 2 1 304.463 2.985 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CC[NH3+] ZINC000423188812 296390208 /nfs/dbraw/zinc/39/02/08/296390208.db2.gz QLTQPEDVVMLSKL-QMMMGPOBSA-N 2 1 323.746 2.624 20 0 DFADMP C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]C1 ZINC000423211307 296392824 /nfs/dbraw/zinc/39/28/24/296392824.db2.gz GUZKFLSAMLOSKM-JZXOWHBKSA-N 2 1 319.493 2.666 20 0 DFADMP Brc1ccccc1C[C@H]([NH2+][C@@H]1CC[NH2+]C1)C1CC1 ZINC000423214794 296393128 /nfs/dbraw/zinc/39/31/28/296393128.db2.gz NCRLWEFPVXHMDX-HIFRSBDPSA-N 2 1 309.251 2.722 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[NH2+]C2)CC1 ZINC000423218154 296393689 /nfs/dbraw/zinc/39/36/89/296393689.db2.gz VDRVFPICLOCKJL-HKUYNNGSSA-N 3 1 315.505 2.671 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000620762178 399585627 /nfs/dbraw/zinc/58/56/27/399585627.db2.gz KJYCWZREYIEAKT-SFHVURJKSA-N 2 1 310.445 2.787 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000620762178 399585628 /nfs/dbraw/zinc/58/56/28/399585628.db2.gz KJYCWZREYIEAKT-SFHVURJKSA-N 2 1 310.445 2.787 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@H](CC)C1 ZINC000347812905 285186168 /nfs/dbraw/zinc/18/61/68/285186168.db2.gz JQADAMDLRDFTSA-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](CC)C1 ZINC000347812905 285186170 /nfs/dbraw/zinc/18/61/70/285186170.db2.gz JQADAMDLRDFTSA-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1 ZINC000347812905 285186175 /nfs/dbraw/zinc/18/61/75/285186175.db2.gz JQADAMDLRDFTSA-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[NH2+][C@H]1CC ZINC000629388747 399590993 /nfs/dbraw/zinc/59/09/93/399590993.db2.gz PLMCUPGWJGHQBL-HRCADAONSA-N 2 1 306.450 2.755 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156943240 197151824 /nfs/dbraw/zinc/15/18/24/197151824.db2.gz HDVCFTCWGBJLKN-DZKIICNBSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156943240 197151826 /nfs/dbraw/zinc/15/18/26/197151826.db2.gz HDVCFTCWGBJLKN-DZKIICNBSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423261228 296397864 /nfs/dbraw/zinc/39/78/64/296397864.db2.gz RUXCKKGAEVMOAW-NSHGMRRFSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423261228 296397865 /nfs/dbraw/zinc/39/78/65/296397865.db2.gz RUXCKKGAEVMOAW-NSHGMRRFSA-N 2 1 315.505 2.876 20 0 DFADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423269682 296399005 /nfs/dbraw/zinc/39/90/05/296399005.db2.gz WDZWZPLBOAOYBV-ZGXWSNOMSA-N 2 1 315.505 2.860 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423270947 296399100 /nfs/dbraw/zinc/39/91/00/296399100.db2.gz HBNFHRUQLKREKN-KBPBESRZSA-N 2 1 300.324 2.899 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423271176 296399127 /nfs/dbraw/zinc/39/91/27/296399127.db2.gz XKTROOQTDSSCHP-JSGCOSHPSA-N 2 1 303.450 2.940 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423270949 296399190 /nfs/dbraw/zinc/39/91/90/296399190.db2.gz HBNFHRUQLKREKN-UONOGXRCSA-N 2 1 300.324 2.899 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])c1ncc(Br)cc1F ZINC000423269441 296398919 /nfs/dbraw/zinc/39/89/19/296398919.db2.gz HFAPLPRHOUOCPU-HOTUBEGUSA-N 2 1 316.218 2.761 20 0 DFADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@H]1CCC[N@H+]1C ZINC000347845910 285203405 /nfs/dbraw/zinc/20/34/05/285203405.db2.gz KXXYQQRVQSVGLP-MRXNPFEDSA-N 2 1 323.506 2.513 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1I ZINC000423300600 296402377 /nfs/dbraw/zinc/40/23/77/296402377.db2.gz RZKZLHPOLMRHAU-ZJUUUORDSA-N 2 1 318.202 2.537 20 0 DFADMP C[NH+](C)CCCC1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347857674 285211575 /nfs/dbraw/zinc/21/15/75/285211575.db2.gz GHEJYPGKNKADOM-UHFFFAOYSA-N 2 1 324.538 2.759 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000271653280 209097275 /nfs/dbraw/zinc/09/72/75/209097275.db2.gz VQUODYCFXOZHDQ-TZMCWYRMSA-N 2 1 317.389 2.797 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000271653280 209097276 /nfs/dbraw/zinc/09/72/76/209097276.db2.gz VQUODYCFXOZHDQ-TZMCWYRMSA-N 2 1 317.389 2.797 20 0 DFADMP COCCC[C@H](C)[NH2+][C@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423329396 296405365 /nfs/dbraw/zinc/40/53/65/296405365.db2.gz LLXGAXDWYRGXPX-QGTPRVQTSA-N 2 1 306.450 2.545 20 0 DFADMP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602851111 399602141 /nfs/dbraw/zinc/60/21/41/399602141.db2.gz ZIHBDZYOXVRERK-INIZCTEOSA-N 2 1 319.449 2.714 20 0 DFADMP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602851111 399602146 /nfs/dbraw/zinc/60/21/46/399602146.db2.gz ZIHBDZYOXVRERK-INIZCTEOSA-N 2 1 319.449 2.714 20 0 DFADMP CCN1CCC[C@H]([NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347882879 285223383 /nfs/dbraw/zinc/22/33/83/285223383.db2.gz VGPMJNZYIZOSMM-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CCC[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000347882879 285223385 /nfs/dbraw/zinc/22/33/85/285223385.db2.gz VGPMJNZYIZOSMM-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000347882879 285223389 /nfs/dbraw/zinc/22/33/89/285223389.db2.gz VGPMJNZYIZOSMM-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000347882879 285223395 /nfs/dbraw/zinc/22/33/95/285223395.db2.gz VGPMJNZYIZOSMM-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347882879 285223397 /nfs/dbraw/zinc/22/33/97/285223397.db2.gz VGPMJNZYIZOSMM-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000155198778 197031233 /nfs/dbraw/zinc/03/12/33/197031233.db2.gz UUAIYGPWSZESNC-NVXWUHKLSA-N 2 1 320.477 2.956 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)CCC2 ZINC000423369159 296409263 /nfs/dbraw/zinc/40/92/63/296409263.db2.gz SOEHJGOZOKQHJH-KGLIPLIRSA-N 2 1 320.433 2.874 20 0 DFADMP OC(C[NH+]1CCC[C@@H]2CCC[C@@H]21)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016539 285231469 /nfs/dbraw/zinc/23/14/69/285231469.db2.gz UKVPWJUNWRTQRK-CAMMJAKZSA-N 2 1 306.494 2.876 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)cn1C ZINC000347916886 285243976 /nfs/dbraw/zinc/24/39/76/285243976.db2.gz KXKPBHZOQZLLBY-HNNXBMFYSA-N 2 1 321.465 2.556 20 0 DFADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423475383 296419790 /nfs/dbraw/zinc/41/97/90/296419790.db2.gz KGDDSGATWXVURG-SMDDNHRTSA-N 2 1 314.351 2.874 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C12CCCCC2 ZINC000423478649 296419988 /nfs/dbraw/zinc/41/99/88/296419988.db2.gz NMDAGAHGBNWSQJ-QLFBSQMISA-N 2 1 316.436 2.949 20 0 DFADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C2CC2)c1 ZINC000423470058 296419003 /nfs/dbraw/zinc/41/90/03/296419003.db2.gz GILIMMVXLMIHGS-NVXWUHKLSA-N 2 1 324.415 2.851 20 0 DFADMP C[C@@H]([NH2+]CC(=O)NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934877 285255063 /nfs/dbraw/zinc/25/50/63/285255063.db2.gz RQOPWDZFTZTZAF-HZPDHXFCSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@@H]([NH2+]CC(=O)NC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934877 285255065 /nfs/dbraw/zinc/25/50/65/285255065.db2.gz RQOPWDZFTZTZAF-HZPDHXFCSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(-n2cccn2)cc1 ZINC000423487529 296421260 /nfs/dbraw/zinc/42/12/60/296421260.db2.gz VLBOIMPWCVYHNL-HIFRSBDPSA-N 2 1 320.387 2.768 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCC3=CC[NH2+]CC3)CC2)cc1 ZINC000423542030 296428146 /nfs/dbraw/zinc/42/81/46/296428146.db2.gz AMNFAYWQFXIQJU-UHFFFAOYSA-N 3 1 313.489 2.593 20 0 DFADMP CC[C@@H](CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000120682411 195215564 /nfs/dbraw/zinc/21/55/64/195215564.db2.gz MNLNPUDNMQXSPM-KRWDZBQOSA-N 2 1 304.478 2.692 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000271586623 209036088 /nfs/dbraw/zinc/03/60/88/209036088.db2.gz XPCLERFQMXSRSQ-CXHZTBPHSA-N 2 1 306.450 2.844 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000271586623 209036092 /nfs/dbraw/zinc/03/60/92/209036092.db2.gz XPCLERFQMXSRSQ-CXHZTBPHSA-N 2 1 306.450 2.844 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]CCCC2CCCCC2)C1 ZINC000348006858 285295157 /nfs/dbraw/zinc/29/51/57/285295157.db2.gz HSHXBEXQORAOHA-KRWDZBQOSA-N 2 1 309.498 2.524 20 0 DFADMP Cc1cnccc1OC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000289475543 221001089 /nfs/dbraw/zinc/00/10/89/221001089.db2.gz XKTRDQYEGAQKST-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000289602753 221096148 /nfs/dbraw/zinc/09/61/48/221096148.db2.gz KWQOAZSQCBPMMZ-JWTNVVGKSA-N 2 1 316.493 2.983 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000289602753 221096151 /nfs/dbraw/zinc/09/61/51/221096151.db2.gz KWQOAZSQCBPMMZ-JWTNVVGKSA-N 2 1 316.493 2.983 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000289602753 221096154 /nfs/dbraw/zinc/09/61/54/221096154.db2.gz KWQOAZSQCBPMMZ-JWTNVVGKSA-N 2 1 316.493 2.983 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000289602753 221096156 /nfs/dbraw/zinc/09/61/56/221096156.db2.gz KWQOAZSQCBPMMZ-JWTNVVGKSA-N 2 1 316.493 2.983 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000289669703 221143654 /nfs/dbraw/zinc/14/36/54/221143654.db2.gz IVMIFPHMTKVVQO-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000289669703 221143656 /nfs/dbraw/zinc/14/36/56/221143656.db2.gz IVMIFPHMTKVVQO-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP CSC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000289679549 221149704 /nfs/dbraw/zinc/14/97/04/221149704.db2.gz MSKXAKKWHQJJIS-KRWDZBQOSA-N 2 1 320.502 2.763 20 0 DFADMP CSC1(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000289679549 221149705 /nfs/dbraw/zinc/14/97/05/221149705.db2.gz MSKXAKKWHQJJIS-KRWDZBQOSA-N 2 1 320.502 2.763 20 0 DFADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc(C)c1O ZINC000289686608 221155182 /nfs/dbraw/zinc/15/51/82/221155182.db2.gz MXRWOKXZCNWPSA-MRXNPFEDSA-N 2 1 306.450 2.600 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2ccncc2Br)CC1 ZINC000629513926 399631001 /nfs/dbraw/zinc/63/10/01/399631001.db2.gz NJPBHMGVTUBYPI-UHFFFAOYSA-N 2 1 312.255 2.666 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CCCS2 ZINC000629521057 399634147 /nfs/dbraw/zinc/63/41/47/399634147.db2.gz OAJSTVFFNPJRCR-HNNXBMFYSA-N 2 1 322.474 2.720 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000629520262 399634159 /nfs/dbraw/zinc/63/41/59/399634159.db2.gz DWMJIVJNGQVWMF-LLVKDONJSA-N 2 1 318.339 2.744 20 0 DFADMP C[NH+]1CCC(NC[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289830434 221254852 /nfs/dbraw/zinc/25/48/52/221254852.db2.gz OFLQPQYJZXICTD-LJQANCHMSA-N 2 1 315.505 2.973 20 0 DFADMP CN1CCC([NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289830434 221254855 /nfs/dbraw/zinc/25/48/55/221254855.db2.gz OFLQPQYJZXICTD-LJQANCHMSA-N 2 1 315.505 2.973 20 0 DFADMP CN1CCC([NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289830434 221254859 /nfs/dbraw/zinc/25/48/59/221254859.db2.gz OFLQPQYJZXICTD-LJQANCHMSA-N 2 1 315.505 2.973 20 0 DFADMP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1OC(F)F ZINC000629522158 399634722 /nfs/dbraw/zinc/63/47/22/399634722.db2.gz WOEDVZIQBQQOAQ-CYBMUJFWSA-N 2 1 314.376 2.837 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000289873038 221282930 /nfs/dbraw/zinc/28/29/30/221282930.db2.gz QXNZUOHSLOMVDH-GOSISDBHSA-N 2 1 321.440 2.899 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000289990703 221364506 /nfs/dbraw/zinc/36/45/06/221364506.db2.gz SHAZDIPNUKNPDS-LLVKDONJSA-N 2 1 302.340 2.842 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)C1 ZINC000289990703 221364508 /nfs/dbraw/zinc/36/45/08/221364508.db2.gz SHAZDIPNUKNPDS-LLVKDONJSA-N 2 1 302.340 2.842 20 0 DFADMP C/C=C\C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000629595240 399658992 /nfs/dbraw/zinc/65/89/92/399658992.db2.gz LLHQKNCPLQVKMA-UPKMYINZSA-N 2 1 302.462 2.596 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCC12CC2 ZINC000629618317 399665223 /nfs/dbraw/zinc/66/52/23/399665223.db2.gz LWVGJGKJDCUHAU-MSOLQXFVSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCC12CC2 ZINC000629618317 399665227 /nfs/dbraw/zinc/66/52/27/399665227.db2.gz LWVGJGKJDCUHAU-MSOLQXFVSA-N 2 1 302.462 2.649 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617345074 399670871 /nfs/dbraw/zinc/67/08/71/399670871.db2.gz WSLIHRLBGWISEM-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)c2ccccc21 ZINC000629545529 399643020 /nfs/dbraw/zinc/64/30/20/399643020.db2.gz HTVYYUKOUPLAKT-XUWXXGDYSA-N 2 1 311.433 2.541 20 0 DFADMP CCCc1ccc([C@H](C)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000629547331 399643818 /nfs/dbraw/zinc/64/38/18/399643818.db2.gz MRDAIRGRJHPTEF-KBXCAEBGSA-N 2 1 313.449 2.616 20 0 DFADMP CCC[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccsc1 ZINC000629549307 399643998 /nfs/dbraw/zinc/64/39/98/399643998.db2.gz JVEVPYGUOVRUHB-LSDHHAIUSA-N 2 1 305.451 2.505 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)C1CCCC1 ZINC000629563760 399650601 /nfs/dbraw/zinc/65/06/01/399650601.db2.gz RALGISYYBWJDQB-BFHYXJOUSA-N 2 1 308.388 2.651 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561862 399651114 /nfs/dbraw/zinc/65/11/14/399651114.db2.gz KBLXLSPWFCRTJJ-JSGCOSHPSA-N 2 1 302.340 2.654 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629561862 399651119 /nfs/dbraw/zinc/65/11/19/399651119.db2.gz KBLXLSPWFCRTJJ-JSGCOSHPSA-N 2 1 302.340 2.654 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000629569413 399652306 /nfs/dbraw/zinc/65/23/06/399652306.db2.gz CARCZOYPTNAXHR-AWEZNQCLSA-N 2 1 303.406 2.570 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ncc(-c2ccccc2)o1 ZINC000629569413 399652309 /nfs/dbraw/zinc/65/23/09/399652309.db2.gz CARCZOYPTNAXHR-AWEZNQCLSA-N 2 1 303.406 2.570 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]CC1([NH3+])CCOCC1 ZINC000629655683 399677439 /nfs/dbraw/zinc/67/74/39/399677439.db2.gz XPIKKLGOPKGOSX-UHFFFAOYSA-N 2 1 302.340 2.611 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)cc1C(F)(F)F ZINC000629654768 399677458 /nfs/dbraw/zinc/67/74/58/399677458.db2.gz RNOSAGUMBOPIHO-UHFFFAOYSA-N 2 1 308.319 2.512 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1OC1CCCC1 ZINC000629652590 399675833 /nfs/dbraw/zinc/67/58/33/399675833.db2.gz ISKOKFVHHXCAMI-UHFFFAOYSA-N 2 1 306.450 2.676 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)C[C@H](C)c1ccc(C(F)(F)F)cc1 ZINC000629654232 399676444 /nfs/dbraw/zinc/67/64/44/399676444.db2.gz OEIMTMUAJQALHR-ZDUSSCGKSA-N 2 1 318.383 2.977 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2cccc(CCC[NH3+])c2)CC1 ZINC000629735475 399707691 /nfs/dbraw/zinc/70/76/91/399707691.db2.gz YLPQUURZXSMQHB-UHFFFAOYSA-N 2 1 323.484 2.992 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000090417514 542536428 /nfs/dbraw/zinc/53/64/28/542536428.db2.gz WIIGIZUANSEQGQ-OCCSQVGLSA-N 2 1 309.479 2.603 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000093502012 542553555 /nfs/dbraw/zinc/55/35/55/542553555.db2.gz MYWYVZLXLHVNBY-QGZVFWFLSA-N 2 1 308.491 2.954 20 0 DFADMP CCCCCC(=O)NC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000348082273 285335263 /nfs/dbraw/zinc/33/52/63/285335263.db2.gz YFVJHPSBROHZPK-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCCC[C@H]1C ZINC000617504803 399719766 /nfs/dbraw/zinc/71/97/66/399719766.db2.gz KTGMDFQHVYWKMR-IXDOHACOSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCCC[C@H]1C ZINC000617504803 399719769 /nfs/dbraw/zinc/71/97/69/399719769.db2.gz KTGMDFQHVYWKMR-IXDOHACOSA-N 2 1 311.514 2.591 20 0 DFADMP CC[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507483 399720597 /nfs/dbraw/zinc/72/05/97/399720597.db2.gz YNZFEWHLHHCDII-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP CC[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507483 399720601 /nfs/dbraw/zinc/72/06/01/399720601.db2.gz YNZFEWHLHHCDII-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507951 399721105 /nfs/dbraw/zinc/72/11/05/399721105.db2.gz PNYCXBKDWLOQRK-BBWFWOEESA-N 2 1 311.514 2.591 20 0 DFADMP CCC[C@@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507951 399721107 /nfs/dbraw/zinc/72/11/07/399721107.db2.gz PNYCXBKDWLOQRK-BBWFWOEESA-N 2 1 311.514 2.591 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000249128964 285353348 /nfs/dbraw/zinc/35/33/48/285353348.db2.gz UQRPKKHJUQYTDG-YTQUADARSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099291 285347640 /nfs/dbraw/zinc/34/76/40/285347640.db2.gz WQIIVEKMDFJVJP-KFKAGJAMSA-N 2 1 324.472 2.767 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000249128964 285353354 /nfs/dbraw/zinc/35/33/54/285353354.db2.gz UQRPKKHJUQYTDG-YTQUADARSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000249128964 285353357 /nfs/dbraw/zinc/35/33/57/285353357.db2.gz UQRPKKHJUQYTDG-YTQUADARSA-N 2 1 306.494 2.876 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348104117 285351919 /nfs/dbraw/zinc/35/19/19/285351919.db2.gz CSEMIUUNFXWFMU-CHWSQXEVSA-N 2 1 305.344 2.671 20 0 DFADMP COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368235192 285354536 /nfs/dbraw/zinc/35/45/36/285354536.db2.gz NSRQHBXVQZPWFA-JCHJZTRSSA-N 2 1 302.462 2.912 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000348110503 285355659 /nfs/dbraw/zinc/35/56/59/285355659.db2.gz MYFMDAVFEAGKLB-YRXWBPOGSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000348110503 285355661 /nfs/dbraw/zinc/35/56/61/285355661.db2.gz MYFMDAVFEAGKLB-YRXWBPOGSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348115502 285359232 /nfs/dbraw/zinc/35/92/32/285359232.db2.gz HVPPBCLFNLSXPJ-MCIONIFRSA-N 2 1 308.388 2.806 20 0 DFADMP Cc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000121110156 195295057 /nfs/dbraw/zinc/29/50/57/195295057.db2.gz BTOKLHBFDWFPGI-INIZCTEOSA-N 2 1 304.478 2.828 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348126885 285367819 /nfs/dbraw/zinc/36/78/19/285367819.db2.gz QIOWXTZDWFJKON-WXHSDQCUSA-N 2 1 305.344 2.527 20 0 DFADMP CC[NH+](CC)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC000127731345 195905412 /nfs/dbraw/zinc/90/54/12/195905412.db2.gz JFBKKJPYQZXOBX-KRWDZBQOSA-N 2 1 317.477 2.542 20 0 DFADMP CC[N@@H+](CC(=O)N1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062347 399741251 /nfs/dbraw/zinc/74/12/51/399741251.db2.gz PGVQXNAFVWMTIE-UHFFFAOYSA-N 2 1 317.477 2.583 20 0 DFADMP CC[N@H+](CC(=O)NCC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063634 399742490 /nfs/dbraw/zinc/74/24/90/399742490.db2.gz KXQNEIKDNRIJBE-UHFFFAOYSA-N 2 1 319.493 2.732 20 0 DFADMP CC[N@@H+](CC(=O)NCC(C)(C)C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063634 399742495 /nfs/dbraw/zinc/74/24/95/399742495.db2.gz KXQNEIKDNRIJBE-UHFFFAOYSA-N 2 1 319.493 2.732 20 0 DFADMP CCc1ccc(C2CC[NH+](C[C@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000626086645 399749552 /nfs/dbraw/zinc/74/95/52/399749552.db2.gz JTEKIQCITXPRLZ-HXUWFJFHSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc(C2CC[NH+](C[C@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000626086645 399749555 /nfs/dbraw/zinc/74/95/55/399749555.db2.gz JTEKIQCITXPRLZ-HXUWFJFHSA-N 2 1 316.489 2.884 20 0 DFADMP Cc1[nH+]c2c(Cl)cccc2c(NCC[N@H+]2CC[C@H](O)C2)c1C ZINC000624777436 399772739 /nfs/dbraw/zinc/77/27/39/399772739.db2.gz RLAJBPWZWHZVRF-ZDUSSCGKSA-N 2 1 319.836 2.984 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000154314036 542688172 /nfs/dbraw/zinc/68/81/72/542688172.db2.gz PXULFZHYQAKZIY-MOPGFXCFSA-N 2 1 304.478 2.690 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000156219433 542700284 /nfs/dbraw/zinc/70/02/84/542700284.db2.gz JYKKLZIYAHYZQQ-CMPLNLGQSA-N 2 1 300.349 2.608 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000156219433 542700288 /nfs/dbraw/zinc/70/02/88/542700288.db2.gz JYKKLZIYAHYZQQ-CMPLNLGQSA-N 2 1 300.349 2.608 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000156305040 542701030 /nfs/dbraw/zinc/70/10/30/542701030.db2.gz JUYKEHDKWOTFMP-NVXWUHKLSA-N 2 1 300.450 2.505 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000162593921 542737830 /nfs/dbraw/zinc/73/78/30/542737830.db2.gz GKRKXYHUKKAFKC-YOEHRIQHSA-N 2 1 300.446 2.626 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCO2 ZINC000166395741 542751186 /nfs/dbraw/zinc/75/11/86/542751186.db2.gz ZTGIMOSBJNEWRT-HZPDHXFCSA-N 2 1 316.445 2.909 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000163813259 542744156 /nfs/dbraw/zinc/74/41/56/542744156.db2.gz UBCPNODBSYBIHL-CZUORRHYSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000603735449 399800386 /nfs/dbraw/zinc/80/03/86/399800386.db2.gz ATDLAGVCEZRAIT-KURKYZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000603735449 399800390 /nfs/dbraw/zinc/80/03/90/399800390.db2.gz ATDLAGVCEZRAIT-KURKYZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000603735449 399800395 /nfs/dbraw/zinc/80/03/95/399800395.db2.gz ATDLAGVCEZRAIT-KURKYZTESA-N 2 1 321.509 2.584 20 0 DFADMP [NH3+][C@@H]1[C@@H]2Cc3c(cccc3-c3ccc(C[NH+]4CCOCC4)cc3)[C@H]12 ZINC000630052266 399802208 /nfs/dbraw/zinc/80/22/08/399802208.db2.gz HDJWSWAXRYRVSS-QHAWAJNXSA-N 2 1 320.436 2.783 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2c[nH]nc2C)[C@H](C)C1 ZINC000180550492 542785158 /nfs/dbraw/zinc/78/51/58/542785158.db2.gz BGKLGOIHXNFPHI-KEYYUXOJSA-N 2 1 308.470 2.506 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2c[nH]nc2C)[C@H](C)C1 ZINC000180550492 542785160 /nfs/dbraw/zinc/78/51/60/542785160.db2.gz BGKLGOIHXNFPHI-KEYYUXOJSA-N 2 1 308.470 2.506 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)CC[N@H+]1C ZINC000181009942 542787396 /nfs/dbraw/zinc/78/73/96/542787396.db2.gz NGMXWDDMOXEJFW-KGLIPLIRSA-N 2 1 316.474 2.820 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000181730836 542791674 /nfs/dbraw/zinc/79/16/74/542791674.db2.gz KDCOPXVRMGHOJQ-GOSISDBHSA-N 2 1 321.484 2.921 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000181730836 542791677 /nfs/dbraw/zinc/79/16/77/542791677.db2.gz KDCOPXVRMGHOJQ-GOSISDBHSA-N 2 1 321.484 2.921 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000181730836 542791679 /nfs/dbraw/zinc/79/16/79/542791679.db2.gz KDCOPXVRMGHOJQ-GOSISDBHSA-N 2 1 321.484 2.921 20 0 DFADMP C[C@@H]1C[C@@H](Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000182249550 542794106 /nfs/dbraw/zinc/79/41/06/542794106.db2.gz MKYYUHNWEZNMTI-WBVHZDCISA-N 2 1 317.477 2.538 20 0 DFADMP CCCc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000187211033 542819182 /nfs/dbraw/zinc/81/91/82/542819182.db2.gz NJJKHPFNVVYBQB-UHFFFAOYSA-N 2 1 303.494 2.756 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236699940 542895944 /nfs/dbraw/zinc/89/59/44/542895944.db2.gz FLEVQMCMKULAAS-MSOLQXFVSA-N 2 1 317.477 2.531 20 0 DFADMP O[C@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000263119654 542955059 /nfs/dbraw/zinc/95/50/59/542955059.db2.gz AUBNEQIMGXGKNK-YJBOKZPZSA-N 2 1 314.454 2.508 20 0 DFADMP CCN(C(=O)CC[NH+](C)C1CCCCC1)[C@H]1CC[N@@H+](CC)C1 ZINC000617925486 399834722 /nfs/dbraw/zinc/83/47/22/399834722.db2.gz MOTMQADZLFTKCM-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@H]1CC[NH+](CC)C1 ZINC000617925486 399834726 /nfs/dbraw/zinc/83/47/26/399834726.db2.gz MOTMQADZLFTKCM-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@H]1CC[NH+](CC)C1 ZINC000617925486 399834730 /nfs/dbraw/zinc/83/47/30/399834730.db2.gz MOTMQADZLFTKCM-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(CCCN1CCC[C@H]1[C@H]1CCC[N@@H+]1C)CC(F)(F)F ZINC000681209553 545611205 /nfs/dbraw/zinc/61/12/05/545611205.db2.gz SFGOPADVOZGPIN-CABCVRRESA-N 2 1 321.431 2.819 20 0 DFADMP CCN(CCCN1CCC[C@H]1[C@H]1CCC[N@H+]1C)CC(F)(F)F ZINC000681209553 545611207 /nfs/dbraw/zinc/61/12/07/545611207.db2.gz SFGOPADVOZGPIN-CABCVRRESA-N 2 1 321.431 2.819 20 0 DFADMP CCc1ccc([C@H]2C[NH2+]CCN2CCCn2cc[nH+]c2C)cc1 ZINC000348756319 285660187 /nfs/dbraw/zinc/66/01/87/285660187.db2.gz NFAFRVBMSGHAHQ-LJQANCHMSA-N 2 1 312.461 2.791 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOCc2ccccc2)C[C@H]1c1ccccc1 ZINC000304623158 543050210 /nfs/dbraw/zinc/05/02/10/543050210.db2.gz PMYNQMQYMSTPHI-UXHICEINSA-N 2 1 310.441 2.878 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000309547252 543064937 /nfs/dbraw/zinc/06/49/37/543064937.db2.gz QWCWOIYWYWFVMG-KRWDZBQOSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@H]([NH2+]CCCN(C)Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000309547252 543064940 /nfs/dbraw/zinc/06/49/40/543064940.db2.gz QWCWOIYWYWFVMG-KRWDZBQOSA-N 2 1 303.494 2.828 20 0 DFADMP COc1cncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000625081422 399842292 /nfs/dbraw/zinc/84/22/92/399842292.db2.gz PISCDKNAOAMMMI-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP FC(F)(F)c1cccnc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000328648054 543096373 /nfs/dbraw/zinc/09/63/73/543096373.db2.gz UIWOBWKVVZMKLP-LLVKDONJSA-N 2 1 310.323 2.649 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339272084 543142913 /nfs/dbraw/zinc/14/29/13/543142913.db2.gz CCTINJJNDBDPNL-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cnn(C)c1)c1ccccc1 ZINC000338008679 543134856 /nfs/dbraw/zinc/13/48/56/543134856.db2.gz SMJXYWTXENDXRN-SFHVURJKSA-N 2 1 309.417 2.694 20 0 DFADMP CC(C)CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CC1 ZINC000338797913 543138129 /nfs/dbraw/zinc/13/81/29/543138129.db2.gz ZHOJYGVLRYUDGT-SFHVURJKSA-N 2 1 323.525 2.734 20 0 DFADMP O=C1CCCN1c1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339065040 543139099 /nfs/dbraw/zinc/13/90/99/543139099.db2.gz BPPCFDSKLRVDCQ-IRXDYDNUSA-N 2 1 313.445 2.530 20 0 DFADMP O=C1CCCN1c1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339065040 543139101 /nfs/dbraw/zinc/13/91/01/543139101.db2.gz BPPCFDSKLRVDCQ-IRXDYDNUSA-N 2 1 313.445 2.530 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CC[NH+]3CCC[C@@H]3C2)C1 ZINC000339066082 543139994 /nfs/dbraw/zinc/13/99/94/543139994.db2.gz ATKHWVGTAWTYKW-XWTMOSNGSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339066082 543139996 /nfs/dbraw/zinc/13/99/96/543139996.db2.gz ATKHWVGTAWTYKW-XWTMOSNGSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339066082 543139999 /nfs/dbraw/zinc/13/99/99/543139999.db2.gz ATKHWVGTAWTYKW-XWTMOSNGSA-N 2 1 307.526 2.959 20 0 DFADMP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339066133 543140247 /nfs/dbraw/zinc/14/02/47/543140247.db2.gz CFCKARABVQUEQN-MOPGFXCFSA-N 2 1 310.445 2.648 20 0 DFADMP COc1ccc(COCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339067216 543140465 /nfs/dbraw/zinc/14/04/65/543140465.db2.gz FKYCVDLFRFYYNG-MSOLQXFVSA-N 2 1 318.461 2.818 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000339245206 543141932 /nfs/dbraw/zinc/14/19/32/543141932.db2.gz GYHWIOAJVPZBCO-INIZCTEOSA-N 2 1 317.477 2.629 20 0 DFADMP CCCN(CC[NH+]1CCCC1)C(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000342204634 543161861 /nfs/dbraw/zinc/16/18/61/543161861.db2.gz HHBLBGTURWFMIY-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP C[C@H](CC[N@H+](C)C[C@@H]1CCCCO1)[NH+](C)C[C@H]1CCCCO1 ZINC000348265079 543183882 /nfs/dbraw/zinc/18/38/82/543183882.db2.gz CRXIDGUVPVQLJE-FGTMMUONSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[N@@H+](C)C[C@@H]1CCCCO1)[NH+](C)C[C@H]1CCCCO1 ZINC000348265079 543183885 /nfs/dbraw/zinc/18/38/85/543183885.db2.gz CRXIDGUVPVQLJE-FGTMMUONSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+](C)C[C@@H]1CCCCO1)[N@H+](C)C[C@H]1CCCCO1 ZINC000348265079 543183887 /nfs/dbraw/zinc/18/38/87/543183887.db2.gz CRXIDGUVPVQLJE-FGTMMUONSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+](C)C[C@@H]1CCCCO1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000348265079 543183890 /nfs/dbraw/zinc/18/38/90/543183890.db2.gz CRXIDGUVPVQLJE-FGTMMUONSA-N 2 1 312.498 2.767 20 0 DFADMP COC1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CCOCC1 ZINC000365462935 292111311 /nfs/dbraw/zinc/11/13/11/292111311.db2.gz QMLXKYKUNVHYCX-GOSISDBHSA-N 2 1 324.509 2.770 20 0 DFADMP CC1=C[C@@H](C)C[C@@H](C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000352845361 543232132 /nfs/dbraw/zinc/23/21/32/543232132.db2.gz IGOYPMNNHZLPQI-NVXWUHKLSA-N 2 1 321.509 2.511 20 0 DFADMP CCc1cc(NC[C@@H](c2ccco2)[NH+](CC)CC)nc(C)[nH+]1 ZINC000359726956 543274638 /nfs/dbraw/zinc/27/46/38/543274638.db2.gz QXODGDYDWOGSEM-HNNXBMFYSA-N 2 1 302.422 2.857 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398181550 543310850 /nfs/dbraw/zinc/31/08/50/543310850.db2.gz KDLPNSNNWOBUAT-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398181550 543310853 /nfs/dbraw/zinc/31/08/53/543310853.db2.gz KDLPNSNNWOBUAT-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000398181550 543310855 /nfs/dbraw/zinc/31/08/55/543310855.db2.gz KDLPNSNNWOBUAT-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000166065932 145233518 /nfs/dbraw/zinc/23/35/18/145233518.db2.gz MPJJFOHGHCTSPS-QZWWFDLISA-N 2 1 321.509 2.534 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000167464157 145240701 /nfs/dbraw/zinc/24/07/01/145240701.db2.gz UAVYRYWUCMWJMH-MELADBBJSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000167464157 145240703 /nfs/dbraw/zinc/24/07/03/145240703.db2.gz UAVYRYWUCMWJMH-MELADBBJSA-N 2 1 309.404 2.616 20 0 DFADMP CCOc1cc(CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000168811684 145243753 /nfs/dbraw/zinc/24/37/53/145243753.db2.gz FGICBCFJOOMQPK-OFQRWUPVSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000168811684 145243760 /nfs/dbraw/zinc/24/37/60/145243760.db2.gz FGICBCFJOOMQPK-OFQRWUPVSA-N 2 1 306.450 2.912 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416335440 543332215 /nfs/dbraw/zinc/33/22/15/543332215.db2.gz UYCGUMHDOSRJLE-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2c(F)cccc2Br)C1 ZINC000414935407 543328338 /nfs/dbraw/zinc/32/83/38/543328338.db2.gz YLHWJHKFYBMBPS-VHSXEESVSA-N 2 1 301.203 2.948 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000174786898 145390928 /nfs/dbraw/zinc/39/09/28/145390928.db2.gz PKBYRTLCHGCGMJ-UHFFFAOYSA-N 2 1 315.461 2.884 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630509540 399896338 /nfs/dbraw/zinc/89/63/38/399896338.db2.gz NPUGFBCKPPVPFE-GJZGRUSLSA-N 2 1 323.444 2.560 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630509544 399896604 /nfs/dbraw/zinc/89/66/04/399896604.db2.gz NPUGFBCKPPVPFE-LSDHHAIUSA-N 2 1 323.444 2.560 20 0 DFADMP CC(C)n1ncnc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000631042050 399968012 /nfs/dbraw/zinc/96/80/12/399968012.db2.gz FWNORJLYVHAJRE-IYBDPMFKSA-N 2 1 307.486 2.707 20 0 DFADMP Cn1nc2c(c1C[NH2+]CC1(C[NH+](C)C)CCCC1)CCCC2 ZINC000631113167 399983108 /nfs/dbraw/zinc/98/31/08/399983108.db2.gz TZAOXASQAKAPOK-UHFFFAOYSA-N 2 1 304.482 2.511 20 0 DFADMP Cc1scc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1C ZINC000631074510 399975302 /nfs/dbraw/zinc/97/53/02/399975302.db2.gz FAVVDWBLMXCQAD-OAHLLOKOSA-N 2 1 308.491 2.955 20 0 DFADMP COCCc1ncc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000631074571 399975353 /nfs/dbraw/zinc/97/53/53/399975353.db2.gz CTFAGHXFKZFLSP-CQSZACIVSA-N 2 1 313.511 2.788 20 0 DFADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000631099098 399980489 /nfs/dbraw/zinc/98/04/89/399980489.db2.gz UQRFQSLDCMQPRU-MRXNPFEDSA-N 2 1 305.466 2.856 20 0 DFADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000631099098 399980491 /nfs/dbraw/zinc/98/04/91/399980491.db2.gz UQRFQSLDCMQPRU-MRXNPFEDSA-N 2 1 305.466 2.856 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(F)F)nc2)CCCO1 ZINC000631122631 399985045 /nfs/dbraw/zinc/98/50/45/399985045.db2.gz VCIAVHSCWAJAFW-ZDUSSCGKSA-N 2 1 313.392 2.610 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)F)nc2)CCCO1 ZINC000631122631 399985046 /nfs/dbraw/zinc/98/50/46/399985046.db2.gz VCIAVHSCWAJAFW-ZDUSSCGKSA-N 2 1 313.392 2.610 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000628211723 400002242 /nfs/dbraw/zinc/00/22/42/400002242.db2.gz DBTCTJHPSGZSCZ-IAGOWNOFSA-N 2 1 323.525 2.735 20 0 DFADMP O[C@@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000631217210 400006096 /nfs/dbraw/zinc/00/60/96/400006096.db2.gz VLQBXVIVNXJQMQ-CVEARBPZSA-N 2 1 324.415 2.789 20 0 DFADMP O[C@@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000631217210 400006098 /nfs/dbraw/zinc/00/60/98/400006098.db2.gz VLQBXVIVNXJQMQ-CVEARBPZSA-N 2 1 324.415 2.789 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)C(F)(F)F ZINC000631235011 400010066 /nfs/dbraw/zinc/01/00/66/400010066.db2.gz UEHIKTIYPUBNQG-BXUZGUMPSA-N 2 1 308.388 2.685 20 0 DFADMP Cc1ccc([C@@H](C)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000628261454 400010243 /nfs/dbraw/zinc/01/02/43/400010243.db2.gz WZSCQUVRZHRHCU-KRWDZBQOSA-N 2 1 303.494 2.714 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000631258870 400014083 /nfs/dbraw/zinc/01/40/83/400014083.db2.gz DIHJJAYGNWGICZ-AABGKKOBSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258870 400014086 /nfs/dbraw/zinc/01/40/86/400014086.db2.gz DIHJJAYGNWGICZ-AABGKKOBSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258870 400014088 /nfs/dbraw/zinc/01/40/88/400014088.db2.gz DIHJJAYGNWGICZ-AABGKKOBSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258870 400014091 /nfs/dbraw/zinc/01/40/91/400014091.db2.gz DIHJJAYGNWGICZ-AABGKKOBSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000631258870 400014093 /nfs/dbraw/zinc/01/40/93/400014093.db2.gz DIHJJAYGNWGICZ-AABGKKOBSA-N 2 1 313.489 2.786 20 0 DFADMP C[NH+](C)[C@H](CC(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628747381 400051871 /nfs/dbraw/zinc/05/18/71/400051871.db2.gz PEHKHJCQYTVNJE-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631587109 400055239 /nfs/dbraw/zinc/05/52/39/400055239.db2.gz CIWBVQQPUUQPNM-LZWOXQAQSA-N 2 1 304.434 2.981 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631587109 400055241 /nfs/dbraw/zinc/05/52/41/400055241.db2.gz CIWBVQQPUUQPNM-LZWOXQAQSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000631659266 400062965 /nfs/dbraw/zinc/06/29/65/400062965.db2.gz KRPYSMNFTHRJEF-KFNAQCHYSA-N 2 1 314.832 2.975 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](CCO)c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000631659266 400062966 /nfs/dbraw/zinc/06/29/66/400062966.db2.gz KRPYSMNFTHRJEF-KFNAQCHYSA-N 2 1 314.832 2.975 20 0 DFADMP CCOC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000631661645 400063543 /nfs/dbraw/zinc/06/35/43/400063543.db2.gz ARHBNIBJUYBVCI-XMZVIZOASA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000631662952 400063859 /nfs/dbraw/zinc/06/38/59/400063859.db2.gz GVTZSXBYMZSYSC-BQFCYCMXSA-N 2 1 312.461 2.839 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000631662952 400063861 /nfs/dbraw/zinc/06/38/61/400063861.db2.gz GVTZSXBYMZSYSC-BQFCYCMXSA-N 2 1 312.461 2.839 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000631665305 400063962 /nfs/dbraw/zinc/06/39/62/400063962.db2.gz VEUUIGDUXBZNHE-RWQQGDIJSA-N 2 1 302.462 2.769 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000631665666 400064059 /nfs/dbraw/zinc/06/40/59/400064059.db2.gz XCSZGLROFBFRRJ-MNEFBYGVSA-N 2 1 302.462 2.769 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000631665672 400064159 /nfs/dbraw/zinc/06/41/59/400064159.db2.gz XCSZGLROFBFRRJ-SNRMKQJTSA-N 2 1 302.462 2.769 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@H](CO)C2)CC1 ZINC000631673452 400064937 /nfs/dbraw/zinc/06/49/37/400064937.db2.gz SKZGARVQHWMBNP-CRIGQSRLSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H](O)C(F)F ZINC000631696254 400067333 /nfs/dbraw/zinc/06/73/33/400067333.db2.gz FKOZVGTVQQLNNG-KBMXLJTQSA-N 2 1 312.404 2.503 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000631696253 400067434 /nfs/dbraw/zinc/06/74/34/400067434.db2.gz FKOZVGTVQQLNNG-FVQBIDKESA-N 2 1 312.404 2.503 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631754510 400072598 /nfs/dbraw/zinc/07/25/98/400072598.db2.gz JPULCJVKSKIPGX-YIYPIFLZSA-N 2 1 308.388 2.664 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631754510 400072599 /nfs/dbraw/zinc/07/25/99/400072599.db2.gz JPULCJVKSKIPGX-YIYPIFLZSA-N 2 1 308.388 2.664 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000631837002 400078793 /nfs/dbraw/zinc/07/87/93/400078793.db2.gz LJJUBDRVXBBWDO-RDJZCZTQSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000631839627 400078832 /nfs/dbraw/zinc/07/88/32/400078832.db2.gz IQJIPHINFOBDGT-NVXWUHKLSA-N 2 1 311.429 2.687 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000236722323 146024721 /nfs/dbraw/zinc/02/47/21/146024721.db2.gz BMHZTFKKIYAVGL-SJLPKXTDSA-N 2 1 317.477 2.627 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245421226 146068994 /nfs/dbraw/zinc/06/89/94/146068994.db2.gz HVGBMRVTLLPNBE-XJKSGUPXSA-N 2 1 323.868 2.941 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCC(C)CC3)O2)[C@@H](C)C1 ZINC000245558921 146084111 /nfs/dbraw/zinc/08/41/11/146084111.db2.gz HIYPJTFJUOXKLO-WHRQZHCMSA-N 2 1 310.482 2.628 20 0 DFADMP CC[C@H](O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245663210 146091445 /nfs/dbraw/zinc/09/14/45/146091445.db2.gz GEZZYKZWBUGRKO-OKYOBFRVSA-N 2 1 302.462 2.933 20 0 DFADMP Cn1nccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245690880 146094862 /nfs/dbraw/zinc/09/48/62/146094862.db2.gz KGUDZLKTFDTSHE-BCDXTJNWSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1nccc1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245690880 146094867 /nfs/dbraw/zinc/09/48/67/146094867.db2.gz KGUDZLKTFDTSHE-BCDXTJNWSA-N 2 1 310.445 2.705 20 0 DFADMP CCC[C@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710391 146096641 /nfs/dbraw/zinc/09/66/41/146096641.db2.gz NDHVIYILBLJWHH-RDGPPVDQSA-N 2 1 302.462 2.933 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000246215508 146130787 /nfs/dbraw/zinc/13/07/87/146130787.db2.gz ZARKWQLVDVUYFN-ZIAGYGMSSA-N 2 1 308.422 2.709 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000247147306 146163521 /nfs/dbraw/zinc/16/35/21/146163521.db2.gz UAZLHTPUBFAXQS-CZUORRHYSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000247147306 146163522 /nfs/dbraw/zinc/16/35/22/146163522.db2.gz UAZLHTPUBFAXQS-CZUORRHYSA-N 2 1 321.371 2.668 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248883705 146174197 /nfs/dbraw/zinc/17/41/97/146174197.db2.gz LLWNBZCXWRGDKF-RDGPPVDQSA-N 2 1 302.462 2.933 20 0 DFADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249153827 146189871 /nfs/dbraw/zinc/18/98/71/146189871.db2.gz YFYOXKMJNLLNLJ-QXAKKESOSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249153827 146189873 /nfs/dbraw/zinc/18/98/73/146189873.db2.gz YFYOXKMJNLLNLJ-QXAKKESOSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249153827 146189876 /nfs/dbraw/zinc/18/98/76/146189876.db2.gz YFYOXKMJNLLNLJ-QXAKKESOSA-N 2 1 306.494 2.876 20 0 DFADMP CSC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000249454606 146198357 /nfs/dbraw/zinc/19/83/57/146198357.db2.gz NFOCMYOIIGUPGG-DOTOQJQBSA-N 2 1 314.539 2.687 20 0 DFADMP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261539653 146238123 /nfs/dbraw/zinc/23/81/23/146238123.db2.gz CXLNSPIIDSMLBU-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+][C@@H]1C[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261555153 146239102 /nfs/dbraw/zinc/23/91/02/146239102.db2.gz UUDHVEJSSMBFKT-PWIZWCRZSA-N 2 1 307.441 2.995 20 0 DFADMP CCN(C[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261556873 146241130 /nfs/dbraw/zinc/24/11/30/146241130.db2.gz WKXSYEJVGDTXQD-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP CCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261556872 146241186 /nfs/dbraw/zinc/24/11/86/146241186.db2.gz WKXSYEJVGDTXQD-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261600624 146244291 /nfs/dbraw/zinc/24/42/91/146244291.db2.gz BPGCRKSCAYEQCA-CHWSQXEVSA-N 2 1 300.324 2.627 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261600624 146244292 /nfs/dbraw/zinc/24/42/92/146244292.db2.gz BPGCRKSCAYEQCA-CHWSQXEVSA-N 2 1 300.324 2.627 20 0 DFADMP c1ccc(C[N@H+](C[C@H]2CCSC2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000261650385 146253622 /nfs/dbraw/zinc/25/36/22/146253622.db2.gz BAPWCTISTPUYDP-WBVHZDCISA-N 2 1 305.491 2.779 20 0 DFADMP Cn1c2ccccc2nc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261661018 146255147 /nfs/dbraw/zinc/25/51/47/146255147.db2.gz GVMRQQCJSIOUKI-SJORKVTESA-N 2 1 320.440 2.748 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261661018 146255151 /nfs/dbraw/zinc/25/51/51/146255151.db2.gz GVMRQQCJSIOUKI-SJORKVTESA-N 2 1 320.440 2.748 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261669489 146256428 /nfs/dbraw/zinc/25/64/28/146256428.db2.gz GFTLUUPUNMSSSN-SFHVURJKSA-N 2 1 316.424 2.799 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261681162 146258666 /nfs/dbraw/zinc/25/86/66/146258666.db2.gz MMPCVZLFJPOBDI-GXTWGEPZSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261681162 146258667 /nfs/dbraw/zinc/25/86/67/146258667.db2.gz MMPCVZLFJPOBDI-GXTWGEPZSA-N 2 1 300.324 2.769 20 0 DFADMP CC[C@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261733527 146267501 /nfs/dbraw/zinc/26/75/01/146267501.db2.gz RLTYTSVUWYFYAJ-DLBZAZTESA-N 2 1 307.869 2.771 20 0 DFADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261733531 146267577 /nfs/dbraw/zinc/26/75/77/146267577.db2.gz RLTYTSVUWYFYAJ-IRXDYDNUSA-N 2 1 307.869 2.771 20 0 DFADMP CC[C@@H](c1ccc(Cl)cc1)[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261733533 146268485 /nfs/dbraw/zinc/26/84/85/146268485.db2.gz RLTYTSVUWYFYAJ-SJORKVTESA-N 2 1 307.869 2.771 20 0 DFADMP CC(C)([NH3+])CN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000261764491 146272099 /nfs/dbraw/zinc/27/20/99/146272099.db2.gz DGYRCZCGLNZFLI-IBGZPJMESA-N 2 1 301.478 2.712 20 0 DFADMP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000261773187 146274222 /nfs/dbraw/zinc/27/42/22/146274222.db2.gz NINLKSZHESULEN-GDBMZVCRSA-N 2 1 314.433 2.600 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261775940 146275311 /nfs/dbraw/zinc/27/53/11/146275311.db2.gz FAFQAHGXZBWDSR-ZIAGYGMSSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261775940 146275314 /nfs/dbraw/zinc/27/53/14/146275314.db2.gz FAFQAHGXZBWDSR-ZIAGYGMSSA-N 2 1 302.397 2.571 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261784070 146275782 /nfs/dbraw/zinc/27/57/82/146275782.db2.gz FRZZOVVSGUJZQV-AWEZNQCLSA-N 2 1 302.397 2.572 20 0 DFADMP CCOc1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1 ZINC000261839609 146287811 /nfs/dbraw/zinc/28/78/11/146287811.db2.gz ZQJIYNRAJDLFBA-AEFFLSMTSA-N 2 1 311.429 2.655 20 0 DFADMP Clc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)s1 ZINC000261841569 146287979 /nfs/dbraw/zinc/28/79/79/146287979.db2.gz ALCMEQXHSOUJQG-YNEHKIRRSA-N 2 1 300.855 2.648 20 0 DFADMP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)n1 ZINC000261862760 146291042 /nfs/dbraw/zinc/29/10/42/146291042.db2.gz CIMNZXNYTBYVSV-BFHYXJOUSA-N 2 1 309.479 2.513 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000261892903 146296545 /nfs/dbraw/zinc/29/65/45/146296545.db2.gz GVFKZDFKGZHEIR-QVDUIBETSA-N 2 1 324.415 2.815 20 0 DFADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261898014 146297590 /nfs/dbraw/zinc/29/75/90/146297590.db2.gz HIWOKGBYFDLXBA-XDNAFOTISA-N 2 1 318.461 2.509 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1OC ZINC000261920078 146301651 /nfs/dbraw/zinc/30/16/51/146301651.db2.gz BNJCYAWHEOLHBR-UHFFFAOYSA-N 2 1 304.434 2.669 20 0 DFADMP O=C(C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1)Nc1cccc(Cl)c1 ZINC000261923550 146302941 /nfs/dbraw/zinc/30/29/41/146302941.db2.gz IFXGWQCOBSUOSI-MRXNPFEDSA-N 2 1 321.852 2.743 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000261927416 146303816 /nfs/dbraw/zinc/30/38/16/146303816.db2.gz IXJBTXQAFOBMOY-HNNXBMFYSA-N 2 1 303.450 2.809 20 0 DFADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261946209 146306850 /nfs/dbraw/zinc/30/68/50/146306850.db2.gz MFQWVIPFPBEPIM-ZBFHGGJFSA-N 2 1 323.868 2.578 20 0 DFADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261946590 146306910 /nfs/dbraw/zinc/30/69/10/146306910.db2.gz NPYFIHZJMSPWBK-SIXLDLHFSA-N 2 1 318.486 2.970 20 0 DFADMP O=C(NC[C@@H]1CCC[N@@H+](CCC2CCCCC2)C1)[C@@H]1CCC[NH2+]1 ZINC000261944547 146307365 /nfs/dbraw/zinc/30/73/65/146307365.db2.gz VJCRODQKEYZXTE-ROUUACIJSA-N 2 1 321.509 2.537 20 0 DFADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C(=O)NCC[NH3+])C1 ZINC000261946198 146307439 /nfs/dbraw/zinc/30/74/39/146307439.db2.gz MFQWVIPFPBEPIM-GDBMZVCRSA-N 2 1 323.868 2.578 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000261954815 146308508 /nfs/dbraw/zinc/30/85/08/146308508.db2.gz GMXASKIBZVGQPE-LJQANCHMSA-N 2 1 310.445 2.581 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@H]21 ZINC000261952955 146309327 /nfs/dbraw/zinc/30/93/27/146309327.db2.gz OEJHMGSSAFOABE-RAIGVLPGSA-N 2 1 305.422 2.995 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@H]21 ZINC000261952955 146309330 /nfs/dbraw/zinc/30/93/30/146309330.db2.gz OEJHMGSSAFOABE-RAIGVLPGSA-N 2 1 305.422 2.995 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000261964591 146311925 /nfs/dbraw/zinc/31/19/25/146311925.db2.gz PZEWVEVBJBGODS-FKSLSLAPSA-N 2 1 300.446 2.679 20 0 DFADMP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261975753 146313834 /nfs/dbraw/zinc/31/38/34/146313834.db2.gz RCCINRIIXBPGHG-USXIJHARSA-N 2 1 308.853 2.629 20 0 DFADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2C(C)C)CC1 ZINC000261980773 146314831 /nfs/dbraw/zinc/31/48/31/146314831.db2.gz RGYVVSCOTMNLSS-UHFFFAOYSA-N 2 1 303.450 2.680 20 0 DFADMP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262014669 146322582 /nfs/dbraw/zinc/32/25/82/146322582.db2.gz VWWINWJTUPAYCQ-GVDBMIGSSA-N 2 1 306.475 2.655 20 0 DFADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262047252 146327078 /nfs/dbraw/zinc/32/70/78/146327078.db2.gz ZGDPITGDDUQNKN-XHSDSOJGSA-N 2 1 324.852 2.595 20 0 DFADMP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000262073028 146330999 /nfs/dbraw/zinc/33/09/99/146330999.db2.gz CUNPOXCDTVVTIU-IEBWSBKVSA-N 2 1 318.461 2.818 20 0 DFADMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000262111166 146334209 /nfs/dbraw/zinc/33/42/09/146334209.db2.gz JUOYKGRNPJGUPN-WBAXXEDZSA-N 2 1 304.434 2.523 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262151620 146339345 /nfs/dbraw/zinc/33/93/45/146339345.db2.gz ZYEDRJGTOVETDJ-HXUWFJFHSA-N 2 1 324.472 2.734 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262151620 146339347 /nfs/dbraw/zinc/33/93/47/146339347.db2.gz ZYEDRJGTOVETDJ-HXUWFJFHSA-N 2 1 324.472 2.734 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000262184880 146341253 /nfs/dbraw/zinc/34/12/53/146341253.db2.gz JBZDFQZFJYQKDY-IBGZPJMESA-N 2 1 301.478 2.585 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@H+]2CCC2CC[NH2+]CC2)cc1 ZINC000262184880 146341255 /nfs/dbraw/zinc/34/12/55/146341255.db2.gz JBZDFQZFJYQKDY-IBGZPJMESA-N 2 1 301.478 2.585 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262387076 146355985 /nfs/dbraw/zinc/35/59/85/146355985.db2.gz ZKGAERIGOUDILB-DUVNUKRYSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262387076 146355987 /nfs/dbraw/zinc/35/59/87/146355987.db2.gz ZKGAERIGOUDILB-DUVNUKRYSA-N 2 1 321.852 2.646 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000262555825 146371194 /nfs/dbraw/zinc/37/11/94/146371194.db2.gz UDWDQKLENBPQBW-DGCLKSJQSA-N 2 1 314.376 2.713 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000459522017 543394188 /nfs/dbraw/zinc/39/41/88/543394188.db2.gz HJRBZGQOYSHDTG-SJORKVTESA-N 2 1 318.852 2.651 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000262703058 146383021 /nfs/dbraw/zinc/38/30/21/146383021.db2.gz KAMRAWQFXWLZSZ-YOEHRIQHSA-N 2 1 323.506 2.594 20 0 DFADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354398432 147021675 /nfs/dbraw/zinc/02/16/75/147021675.db2.gz XRVOFOFKVNDZGZ-ZDUSSCGKSA-N 2 1 314.433 2.670 20 0 DFADMP C[C@@H](O)CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000355318663 147262978 /nfs/dbraw/zinc/26/29/78/147262978.db2.gz QMNUARZCBJHISG-MRXNPFEDSA-N 2 1 305.466 2.781 20 0 DFADMP Cc1ccc(SCC[NH+]2CCC([N@H+](C)CCO)CC2)cc1C ZINC000357629741 148063058 /nfs/dbraw/zinc/06/30/58/148063058.db2.gz STHPNJBXIXHUAR-UHFFFAOYSA-N 2 1 322.518 2.784 20 0 DFADMP Cc1ccc(SCC[NH+]2CCC([N@@H+](C)CCO)CC2)cc1C ZINC000357629741 148063062 /nfs/dbraw/zinc/06/30/62/148063062.db2.gz STHPNJBXIXHUAR-UHFFFAOYSA-N 2 1 322.518 2.784 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000357635820 148064973 /nfs/dbraw/zinc/06/49/73/148064973.db2.gz KCSSPJLOYWXYSE-HNAYVOBHSA-N 2 1 302.462 2.841 20 0 DFADMP CC(C)[NH+](CCCNC(=O)N[C@@H](C)C[N@H+](C)C(C)C)C(C)C ZINC000357881772 148162385 /nfs/dbraw/zinc/16/23/85/148162385.db2.gz LRIMYZZPHYWNJX-INIZCTEOSA-N 2 1 314.518 2.523 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000358061536 148230105 /nfs/dbraw/zinc/23/01/05/148230105.db2.gz LZOWZWDPWWELNX-ZFWWWQNUSA-N 2 1 316.474 2.677 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CC[N@H+]1C ZINC000358104806 148245443 /nfs/dbraw/zinc/24/54/43/148245443.db2.gz YYIKXNQIFMTOQE-HHXXYDBFSA-N 2 1 318.461 2.817 20 0 DFADMP Fc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000425902447 296603813 /nfs/dbraw/zinc/60/38/13/296603813.db2.gz SNPWRQLFDJJDBO-UHFFFAOYSA-N 2 1 307.344 2.710 20 0 DFADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c1 ZINC000358132103 148254169 /nfs/dbraw/zinc/25/41/69/148254169.db2.gz GLEAIGITLVHWGZ-FQEVSTJZSA-N 2 1 310.441 2.818 20 0 DFADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c1 ZINC000358132103 148254172 /nfs/dbraw/zinc/25/41/72/148254172.db2.gz GLEAIGITLVHWGZ-FQEVSTJZSA-N 2 1 310.441 2.818 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000350285458 286024382 /nfs/dbraw/zinc/02/43/82/286024382.db2.gz IBANQAKANGBPDE-GOSISDBHSA-N 2 1 324.440 2.637 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000358230112 148293944 /nfs/dbraw/zinc/29/39/44/148293944.db2.gz GSANKKSEQAQYRU-FUHWJXTLSA-N 2 1 308.441 2.959 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](CC(C)(C)C)c2ccc(F)cc2)C1 ZINC000358230112 148293948 /nfs/dbraw/zinc/29/39/48/148293948.db2.gz GSANKKSEQAQYRU-FUHWJXTLSA-N 2 1 308.441 2.959 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000358256480 148307393 /nfs/dbraw/zinc/30/73/93/148307393.db2.gz TVEHACTXJUJLBT-LESCRADOSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000358304113 148321749 /nfs/dbraw/zinc/32/17/49/148321749.db2.gz SERJPHQNIHGPEH-WCVJEAGWSA-N 2 1 304.434 2.535 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358366944 148342976 /nfs/dbraw/zinc/34/29/76/148342976.db2.gz LJNCNAURCIFYFW-IRXDYDNUSA-N 2 1 318.461 2.853 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358407087 148349341 /nfs/dbraw/zinc/34/93/41/148349341.db2.gz QZESPTRKSMUWHH-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358407087 148349344 /nfs/dbraw/zinc/34/93/44/148349344.db2.gz QZESPTRKSMUWHH-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358407087 148349348 /nfs/dbraw/zinc/34/93/48/148349348.db2.gz QZESPTRKSMUWHH-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP CCC1(C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCOCC1 ZINC000358483883 148375834 /nfs/dbraw/zinc/37/58/34/148375834.db2.gz OUZBATWGAOBHQP-UHFFFAOYSA-N 2 1 324.509 2.818 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503824 148380562 /nfs/dbraw/zinc/38/05/62/148380562.db2.gz GUMOALKFGUAGBY-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000262052717 286048926 /nfs/dbraw/zinc/04/89/26/286048926.db2.gz ZVKRCWYVMDDORA-KURKYZTESA-N 2 1 324.509 2.720 20 0 DFADMP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000361173124 149046045 /nfs/dbraw/zinc/04/60/45/149046045.db2.gz AVSNHEQSLUZTDZ-DLBZAZTESA-N 2 1 317.477 2.541 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1cccc(Cl)c1 ZINC000361183159 149049536 /nfs/dbraw/zinc/04/95/36/149049536.db2.gz OZHCAHPXFRGHRW-DZGCQCFKSA-N 2 1 323.868 2.578 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1c1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000361259986 149069034 /nfs/dbraw/zinc/06/90/34/149069034.db2.gz FFFXGPIHMJWJTH-SMDDNHRTSA-N 2 1 318.396 2.602 20 0 DFADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000361353933 149094329 /nfs/dbraw/zinc/09/43/29/149094329.db2.gz VLXYBOLEWDZUJV-BJZITVGISA-N 2 1 320.452 2.741 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)[C@H](C)CC)[C@@H](C)C1 ZINC000361398622 149105948 /nfs/dbraw/zinc/10/59/48/149105948.db2.gz ABJBKYGPCFBIJD-MHORFTMASA-N 2 1 314.514 2.510 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000361469100 149124195 /nfs/dbraw/zinc/12/41/95/149124195.db2.gz LCEKAUYOYFYWJR-QGZVFWFLSA-N 2 1 314.433 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](CC(N)=O)c1ccccc1 ZINC000361469100 149124198 /nfs/dbraw/zinc/12/41/98/149124198.db2.gz LCEKAUYOYFYWJR-QGZVFWFLSA-N 2 1 314.433 2.520 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000361482700 149126429 /nfs/dbraw/zinc/12/64/29/149126429.db2.gz YNMRYZJUIQADCK-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000361482700 149126432 /nfs/dbraw/zinc/12/64/32/149126432.db2.gz YNMRYZJUIQADCK-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361482700 149126435 /nfs/dbraw/zinc/12/64/35/149126435.db2.gz YNMRYZJUIQADCK-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000361482700 149126437 /nfs/dbraw/zinc/12/64/37/149126437.db2.gz YNMRYZJUIQADCK-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000361482700 149126441 /nfs/dbraw/zinc/12/64/41/149126441.db2.gz YNMRYZJUIQADCK-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](CCCc2ccsc2)CC1 ZINC000361523928 149140079 /nfs/dbraw/zinc/14/00/79/149140079.db2.gz HKMWCUSTHLTCSQ-UHFFFAOYSA-N 2 1 317.458 2.907 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596585 149162841 /nfs/dbraw/zinc/16/28/41/149162841.db2.gz UCLPKOITFKYKCG-UXHICEINSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596585 149162844 /nfs/dbraw/zinc/16/28/44/149162844.db2.gz UCLPKOITFKYKCG-UXHICEINSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596585 149162847 /nfs/dbraw/zinc/16/28/47/149162847.db2.gz UCLPKOITFKYKCG-UXHICEINSA-N 2 1 316.489 2.788 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000361876596 149243602 /nfs/dbraw/zinc/24/36/02/149243602.db2.gz FSGVGMCQEUXAHH-GXFFZTMASA-N 2 1 317.264 2.730 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000361892521 149249065 /nfs/dbraw/zinc/24/90/65/149249065.db2.gz WJFFSOHCBFYQAL-BPQIPLTHSA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361892521 149249066 /nfs/dbraw/zinc/24/90/66/149249066.db2.gz WJFFSOHCBFYQAL-BPQIPLTHSA-N 2 1 322.518 2.601 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000362008974 149274930 /nfs/dbraw/zinc/27/49/30/149274930.db2.gz IVTIQFGOLURLJB-HZPDHXFCSA-N 2 1 320.481 2.728 20 0 DFADMP C[N@H+](CCn1ccnc1)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000362051457 149284846 /nfs/dbraw/zinc/28/48/46/149284846.db2.gz CWXJGBSLPNTVRZ-KRWDZBQOSA-N 2 1 311.364 2.534 20 0 DFADMP C[N@@H+](CCn1ccnc1)[C@@H](c1ccc(F)cc1)c1cnccn1 ZINC000362051457 149284850 /nfs/dbraw/zinc/28/48/50/149284850.db2.gz CWXJGBSLPNTVRZ-KRWDZBQOSA-N 2 1 311.364 2.534 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC(Cc2cccc(F)c2)CC1)C1CC1 ZINC000351340937 286122233 /nfs/dbraw/zinc/12/22/33/286122233.db2.gz OZHKEPAQIRGNNQ-IBGZPJMESA-N 2 1 320.452 2.535 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cc2cccc(F)c2)CC1)C1CC1 ZINC000351340937 286122235 /nfs/dbraw/zinc/12/22/35/286122235.db2.gz OZHKEPAQIRGNNQ-IBGZPJMESA-N 2 1 320.452 2.535 20 0 DFADMP Cc1oc(-c2ccsc2)nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472608 286128608 /nfs/dbraw/zinc/12/86/08/286128608.db2.gz BEQCMENVUZJQLS-UBHSHLNASA-N 2 1 303.431 2.881 20 0 DFADMP Cc1oc(-c2ccsc2)nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351472608 286128609 /nfs/dbraw/zinc/12/86/09/286128609.db2.gz BEQCMENVUZJQLS-UBHSHLNASA-N 2 1 303.431 2.881 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@@H]12 ZINC000351474114 286129040 /nfs/dbraw/zinc/12/90/40/286129040.db2.gz FGQZWNRDXKZQRK-ZTFGCOKTSA-N 2 1 322.456 2.530 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@@H]12 ZINC000351474114 286129042 /nfs/dbraw/zinc/12/90/42/286129042.db2.gz FGQZWNRDXKZQRK-ZTFGCOKTSA-N 2 1 322.456 2.530 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351490609 286133919 /nfs/dbraw/zinc/13/39/19/286133919.db2.gz IMDWKDGYRYPHJF-QAETUUGQSA-N 2 1 315.461 2.608 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351490609 286133922 /nfs/dbraw/zinc/13/39/22/286133922.db2.gz IMDWKDGYRYPHJF-QAETUUGQSA-N 2 1 315.461 2.608 20 0 DFADMP COc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000351494132 286135122 /nfs/dbraw/zinc/13/51/22/286135122.db2.gz NLQSHABKRDFJLR-IMJJTQAJSA-N 2 1 313.401 2.519 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)o2)cc1 ZINC000351494132 286135123 /nfs/dbraw/zinc/13/51/23/286135123.db2.gz NLQSHABKRDFJLR-IMJJTQAJSA-N 2 1 313.401 2.519 20 0 DFADMP CCO[C@@H]1C[C@H]([N@H+](C)C[C@H](O)C[NH+](C)C2CC2)C12CCCCC2 ZINC000351513690 286140764 /nfs/dbraw/zinc/14/07/64/286140764.db2.gz MBISMJDYIDTMCI-FGTMMUONSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)C[NH+](C)C2CC2)C12CCCCC2 ZINC000351513690 286140767 /nfs/dbraw/zinc/14/07/67/286140767.db2.gz MBISMJDYIDTMCI-FGTMMUONSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@H]([NH+](C)C[C@H](O)C[N@H+](C)C2CC2)C12CCCCC2 ZINC000351513690 286140768 /nfs/dbraw/zinc/14/07/68/286140768.db2.gz MBISMJDYIDTMCI-FGTMMUONSA-N 2 1 324.509 2.501 20 0 DFADMP CCO[C@@H]1C[C@H]([NH+](C)C[C@H](O)C[N@@H+](C)C2CC2)C12CCCCC2 ZINC000351513690 286140769 /nfs/dbraw/zinc/14/07/69/286140769.db2.gz MBISMJDYIDTMCI-FGTMMUONSA-N 2 1 324.509 2.501 20 0 DFADMP Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000370386579 149926390 /nfs/dbraw/zinc/92/63/90/149926390.db2.gz FLYQTJFALIBAFU-OCCSQVGLSA-N 2 1 301.438 2.809 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000371204548 150002114 /nfs/dbraw/zinc/00/21/14/150002114.db2.gz IFSJFZKVKJONMK-SJORKVTESA-N 2 1 302.466 2.608 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000371204548 150002118 /nfs/dbraw/zinc/00/21/18/150002118.db2.gz IFSJFZKVKJONMK-SJORKVTESA-N 2 1 302.466 2.608 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000371204548 150002121 /nfs/dbraw/zinc/00/21/21/150002121.db2.gz IFSJFZKVKJONMK-SJORKVTESA-N 2 1 302.466 2.608 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSc1ccccc1 ZINC000371292455 150016969 /nfs/dbraw/zinc/01/69/69/150016969.db2.gz CAWJPZGEXNDNQI-NXHRZFHOSA-N 2 1 320.502 2.962 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425897 150044882 /nfs/dbraw/zinc/04/48/82/150044882.db2.gz VHWDRUTVIQPGJK-DNVCBOLYSA-N 2 1 319.468 2.987 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371469558 150052323 /nfs/dbraw/zinc/05/23/23/150052323.db2.gz FSYIVARQUJFBGX-FGTMMUONSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371469558 150052324 /nfs/dbraw/zinc/05/23/24/150052324.db2.gz FSYIVARQUJFBGX-FGTMMUONSA-N 2 1 306.425 2.818 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000371534083 150061994 /nfs/dbraw/zinc/06/19/94/150061994.db2.gz MHMSKXLYNNCCFL-LJQANCHMSA-N 2 1 317.477 2.801 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCc4cnccn4)[C@@H]3C2)cc1 ZINC000371665296 150077635 /nfs/dbraw/zinc/07/76/35/150077635.db2.gz LSBZPLLZCAQDBI-DFQSSKMNSA-N 2 1 322.456 2.519 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000371689821 150081101 /nfs/dbraw/zinc/08/11/01/150081101.db2.gz SKOKQJHDTKIWOX-UHFFFAOYSA-N 2 1 312.461 2.676 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000371689821 150081104 /nfs/dbraw/zinc/08/11/04/150081104.db2.gz SKOKQJHDTKIWOX-UHFFFAOYSA-N 2 1 312.461 2.676 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)CCCC2 ZINC000351573085 286157567 /nfs/dbraw/zinc/15/75/67/286157567.db2.gz HAAVWTPWBBPNFK-AUUYWEPGSA-N 2 1 302.462 2.671 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc2c(c1)CCCC2 ZINC000351573085 286157569 /nfs/dbraw/zinc/15/75/69/286157569.db2.gz HAAVWTPWBBPNFK-AUUYWEPGSA-N 2 1 302.462 2.671 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727770 150088010 /nfs/dbraw/zinc/08/80/10/150088010.db2.gz LSZQNDAYFOPQKH-SWLSCSKDSA-N 2 1 305.397 2.531 20 0 DFADMP CC[C@@H]1CCC[C@H](C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371836338 150102773 /nfs/dbraw/zinc/10/27/73/150102773.db2.gz YNVUMHILKBXXGI-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000371978088 150120587 /nfs/dbraw/zinc/12/05/87/150120587.db2.gz IOJJPDGKTPSECY-QRQLOZEOSA-N 2 1 324.509 2.815 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000372303471 150160499 /nfs/dbraw/zinc/16/04/99/150160499.db2.gz XVEATERSRSGBRB-JQHSSLGASA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000372303471 150160501 /nfs/dbraw/zinc/16/05/01/150160501.db2.gz XVEATERSRSGBRB-JQHSSLGASA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000372303471 150160503 /nfs/dbraw/zinc/16/05/03/150160503.db2.gz XVEATERSRSGBRB-JQHSSLGASA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000372303471 150160506 /nfs/dbraw/zinc/16/05/06/150160506.db2.gz XVEATERSRSGBRB-JQHSSLGASA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000372303471 150160507 /nfs/dbraw/zinc/16/05/07/150160507.db2.gz XVEATERSRSGBRB-JQHSSLGASA-N 2 1 322.518 2.553 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000372313393 150163255 /nfs/dbraw/zinc/16/32/55/150163255.db2.gz LXUKESQBYUTCTE-WMLDXEAASA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)c(F)c1 ZINC000372313393 150163258 /nfs/dbraw/zinc/16/32/58/150163258.db2.gz LXUKESQBYUTCTE-WMLDXEAASA-N 2 1 321.371 2.668 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCO[C@@H](C)C3)sc2C1 ZINC000372352072 150165433 /nfs/dbraw/zinc/16/54/33/150165433.db2.gz WYIJMKUEFMYCSV-UONOGXRCSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCO[C@@H](C)C3)sc2C1 ZINC000372352072 150165435 /nfs/dbraw/zinc/16/54/35/150165435.db2.gz WYIJMKUEFMYCSV-UONOGXRCSA-N 2 1 323.506 2.814 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000372781930 150184468 /nfs/dbraw/zinc/18/44/68/150184468.db2.gz PMFCNRKJFFFFID-SCTDSRPQSA-N 2 1 301.478 2.894 20 0 DFADMP CSC[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372922631 150202744 /nfs/dbraw/zinc/20/27/44/150202744.db2.gz IZPBODNYYUMFEB-ZWKOTPCHSA-N 2 1 322.518 2.697 20 0 DFADMP CSC[C@H](O)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000372922631 150202747 /nfs/dbraw/zinc/20/27/47/150202747.db2.gz IZPBODNYYUMFEB-ZWKOTPCHSA-N 2 1 322.518 2.697 20 0 DFADMP CSC[C@H](O)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000372922631 150202751 /nfs/dbraw/zinc/20/27/51/150202751.db2.gz IZPBODNYYUMFEB-ZWKOTPCHSA-N 2 1 322.518 2.697 20 0 DFADMP CC[C@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CC[NH2+]C1 ZINC000372981170 150211149 /nfs/dbraw/zinc/21/11/49/150211149.db2.gz WWYLZFBUMPPMFT-IBGZPJMESA-N 2 1 317.477 2.533 20 0 DFADMP O=C1O[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC12CC2 ZINC000373030949 150218790 /nfs/dbraw/zinc/21/87/90/150218790.db2.gz XGZAWUOWGNHZHI-IRXDYDNUSA-N 2 1 320.477 2.670 20 0 DFADMP O=C1O[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC12CC2 ZINC000373030949 150218792 /nfs/dbraw/zinc/21/87/92/150218792.db2.gz XGZAWUOWGNHZHI-IRXDYDNUSA-N 2 1 320.477 2.670 20 0 DFADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373206570 150246592 /nfs/dbraw/zinc/24/65/92/150246592.db2.gz NZCTULLHXOHXOO-UJWQCDCRSA-N 2 1 324.509 2.527 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H](c2nnc[nH]2)C1 ZINC000373811891 150261412 /nfs/dbraw/zinc/26/14/12/150261412.db2.gz JFGOTZULIJJBEQ-MRXNPFEDSA-N 2 1 322.416 2.678 20 0 DFADMP Cc1cccc(N2CCC([NH2+]Cc3ncc(Cl)n3C)CC2)[nH+]1 ZINC000374135410 150310310 /nfs/dbraw/zinc/31/03/10/150310310.db2.gz FXFYKJRJFWXCLG-UHFFFAOYSA-N 2 1 319.840 2.536 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000374140539 150311258 /nfs/dbraw/zinc/31/12/58/150311258.db2.gz FDNQSQSXXAPJPJ-QZTJIDSGSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C[C@@H]1c1cccc(F)c1 ZINC000374140539 150311261 /nfs/dbraw/zinc/31/12/61/150311261.db2.gz FDNQSQSXXAPJPJ-QZTJIDSGSA-N 2 1 317.408 2.919 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CCC(=O)Nc3ccccc3)C2)CC1 ZINC000374175996 150317760 /nfs/dbraw/zinc/31/77/60/150317760.db2.gz LPFCLPHOIYALDB-UHFFFAOYSA-N 2 1 315.461 2.823 20 0 DFADMP Cc1nnc([C@H](C)[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)o1 ZINC000374296405 150339743 /nfs/dbraw/zinc/33/97/43/150339743.db2.gz NQUQKFOQIDTHSJ-JSGCOSHPSA-N 2 1 304.438 2.635 20 0 DFADMP Cc1nnc([C@H](C)[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)o1 ZINC000374296405 150339746 /nfs/dbraw/zinc/33/97/46/150339746.db2.gz NQUQKFOQIDTHSJ-JSGCOSHPSA-N 2 1 304.438 2.635 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccn(-c3ccccc3)n2)CC1 ZINC000374322471 150343510 /nfs/dbraw/zinc/34/35/10/150343510.db2.gz DLKUFWYSFHVLDF-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccn(-c3ccccc3)n2)CC1 ZINC000374322471 150343513 /nfs/dbraw/zinc/34/35/13/150343513.db2.gz DLKUFWYSFHVLDF-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[N@@H+](C[C@H](O)CN1CC=C(c2ccc(Cl)cc2)CC1)C1CC1 ZINC000351714109 286200882 /nfs/dbraw/zinc/20/08/82/286200882.db2.gz YZQANLCNCKKECA-SFHVURJKSA-N 2 1 320.864 2.884 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351710540 286200019 /nfs/dbraw/zinc/20/00/19/286200019.db2.gz DIIUQUYKOAJGCI-PMACEKPBSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351710540 286200020 /nfs/dbraw/zinc/20/00/20/286200020.db2.gz DIIUQUYKOAJGCI-PMACEKPBSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351710540 286200021 /nfs/dbraw/zinc/20/00/21/286200021.db2.gz DIIUQUYKOAJGCI-PMACEKPBSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351710540 286200022 /nfs/dbraw/zinc/20/00/22/286200022.db2.gz DIIUQUYKOAJGCI-PMACEKPBSA-N 2 1 316.489 2.929 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)CCn1cc[nH+]c1C(C)C ZINC000351792217 286219289 /nfs/dbraw/zinc/21/92/89/286219289.db2.gz VVKVNRWXAUKAFF-UHFFFAOYSA-N 2 1 320.481 2.731 20 0 DFADMP COC(=O)c1cccc(Cl)c1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351853284 286232954 /nfs/dbraw/zinc/23/29/54/286232954.db2.gz MGYAKQOUATZRIW-UHFFFAOYSA-N 2 1 324.852 2.900 20 0 DFADMP Cc1ccc2[nH]c(C[N@H+](CCO)C3CCN(C)CC3)cc2c1C ZINC000351996266 286264897 /nfs/dbraw/zinc/26/48/97/286264897.db2.gz NXDOVRABGKIXKW-UHFFFAOYSA-N 2 1 315.461 2.673 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352022998 286272164 /nfs/dbraw/zinc/27/21/64/286272164.db2.gz STLWEWLKXRWCCC-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352022998 286272165 /nfs/dbraw/zinc/27/21/65/286272165.db2.gz STLWEWLKXRWCCC-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352022998 286272166 /nfs/dbraw/zinc/27/21/66/286272166.db2.gz STLWEWLKXRWCCC-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000352022998 286272167 /nfs/dbraw/zinc/27/21/67/286272167.db2.gz STLWEWLKXRWCCC-HKUYNNGSSA-N 2 1 300.446 2.992 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000352156353 286307318 /nfs/dbraw/zinc/30/73/18/286307318.db2.gz JIZGCWPWYQQXQQ-HOTGVXAUSA-N 2 1 311.514 2.780 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000352142241 286302911 /nfs/dbraw/zinc/30/29/11/286302911.db2.gz IMQMBXWKRSPDCV-DLBZAZTESA-N 2 1 310.445 2.804 20 0 DFADMP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352364542 286354311 /nfs/dbraw/zinc/35/43/11/286354311.db2.gz FPWGNBXUGBSCRA-MSOLQXFVSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352364542 286354313 /nfs/dbraw/zinc/35/43/13/286354313.db2.gz FPWGNBXUGBSCRA-MSOLQXFVSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@@H](c1ccc(F)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352364542 286354314 /nfs/dbraw/zinc/35/43/14/286354314.db2.gz FPWGNBXUGBSCRA-MSOLQXFVSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@@H](c1ccc(F)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352364542 286354315 /nfs/dbraw/zinc/35/43/15/286354315.db2.gz FPWGNBXUGBSCRA-MSOLQXFVSA-N 2 1 308.441 2.910 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)C12CCOCC2 ZINC000186730518 286394856 /nfs/dbraw/zinc/39/48/56/286394856.db2.gz WXLJLFJRNSILKK-OKZBNKHCSA-N 2 1 324.509 2.815 20 0 DFADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1cccc(F)c1)CC1CCCC1 ZINC000352519276 286395915 /nfs/dbraw/zinc/39/59/15/286395915.db2.gz NETXUCPKGNCCEN-UHFFFAOYSA-N 2 1 321.440 2.995 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000352520114 286396421 /nfs/dbraw/zinc/39/64/21/286396421.db2.gz VIRZVUCASJRWJW-WMZOPIPTSA-N 2 1 317.477 2.684 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCCC[C@H]2CC[NH3+])cc1C ZINC000352520114 286396424 /nfs/dbraw/zinc/39/64/24/286396424.db2.gz VIRZVUCASJRWJW-WMZOPIPTSA-N 2 1 317.477 2.684 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NCc1ncc(C[NH+](C)C)s1 ZINC000352734388 286454175 /nfs/dbraw/zinc/45/41/75/286454175.db2.gz XHOZTZMOBWIIJV-CQSZACIVSA-N 2 1 310.511 2.559 20 0 DFADMP CCC1(CC)[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H]1OC ZINC000352756730 286459148 /nfs/dbraw/zinc/45/91/48/286459148.db2.gz CSDKMDXBSGKRQL-KBPBESRZSA-N 2 1 311.495 2.888 20 0 DFADMP Cc1noc(C)c1[C@@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352761782 286460296 /nfs/dbraw/zinc/46/02/96/286460296.db2.gz ZKSSZSLGEITZTC-JTQLQIEISA-N 2 1 308.451 2.703 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000353190264 286575105 /nfs/dbraw/zinc/57/51/05/286575105.db2.gz ZBGKDRAVSVUHMO-ACJLOTCBSA-N 2 1 314.433 2.875 20 0 DFADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)C1CCC(F)(F)CC1 ZINC000353287437 286602096 /nfs/dbraw/zinc/60/20/96/286602096.db2.gz FNZNCVBFHAEHQG-CYBMUJFWSA-N 2 1 304.425 2.901 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000185078041 158044489 /nfs/dbraw/zinc/04/44/89/158044489.db2.gz JOCSIHAXQKLHJN-UHFFFAOYSA-N 2 1 320.481 2.635 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246436597 158091431 /nfs/dbraw/zinc/09/14/31/158091431.db2.gz OFWMLPAHEWCJLQ-FRQCXROJSA-N 2 1 320.477 2.920 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246566112 158095021 /nfs/dbraw/zinc/09/50/21/158095021.db2.gz AXWUEFVYPVULAQ-DOTOQJQBSA-N 2 1 313.449 2.744 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000246566112 158095027 /nfs/dbraw/zinc/09/50/27/158095027.db2.gz AXWUEFVYPVULAQ-DOTOQJQBSA-N 2 1 313.449 2.744 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000246566112 158095031 /nfs/dbraw/zinc/09/50/31/158095031.db2.gz AXWUEFVYPVULAQ-DOTOQJQBSA-N 2 1 313.449 2.744 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000246920741 158105798 /nfs/dbraw/zinc/10/57/98/158105798.db2.gz GBOUKCCCKFIMDE-SOLBZPMBSA-N 2 1 320.477 2.839 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000246920741 158105799 /nfs/dbraw/zinc/10/57/99/158105799.db2.gz GBOUKCCCKFIMDE-SOLBZPMBSA-N 2 1 320.477 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970006 158110086 /nfs/dbraw/zinc/11/00/86/158110086.db2.gz JAVDBZNPWXAVIW-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970006 158110089 /nfs/dbraw/zinc/11/00/89/158110089.db2.gz JAVDBZNPWXAVIW-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970006 158110091 /nfs/dbraw/zinc/11/00/91/158110091.db2.gz JAVDBZNPWXAVIW-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970006 158110093 /nfs/dbraw/zinc/11/00/93/158110093.db2.gz JAVDBZNPWXAVIW-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000246970006 158110095 /nfs/dbraw/zinc/11/00/95/158110095.db2.gz JAVDBZNPWXAVIW-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2ccccc2OC)[C@@H](C)C1 ZINC000247037593 158115361 /nfs/dbraw/zinc/11/53/61/158115361.db2.gz LPHKUJVRBUQDGI-XHSDSOJGSA-N 2 1 306.450 2.782 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCCOC)cc2)C1 ZINC000247060545 158117248 /nfs/dbraw/zinc/11/72/48/158117248.db2.gz NTSFWCVSBZYTRF-CVEARBPZSA-N 2 1 306.450 2.704 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn(C)nc2C)[C@@H](C)C1 ZINC000247075028 158117843 /nfs/dbraw/zinc/11/78/43/158117843.db2.gz QJBKGUAUFWBEAE-MPGHIAIKSA-N 2 1 322.497 2.516 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cn(C)nc2C)[C@@H](C)C1 ZINC000247075028 158117844 /nfs/dbraw/zinc/11/78/44/158117844.db2.gz QJBKGUAUFWBEAE-MPGHIAIKSA-N 2 1 322.497 2.516 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000247180234 158122095 /nfs/dbraw/zinc/12/20/95/158122095.db2.gz VCEKSQYOAKTGFP-BXWFABGCSA-N 2 1 319.468 2.972 20 0 DFADMP CCCCc1noc([C@H](C)N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000247944563 158153748 /nfs/dbraw/zinc/15/37/48/158153748.db2.gz DKOPZVMUKWPUNI-SOUVJXGZSA-N 2 1 306.454 2.889 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248217348 158165375 /nfs/dbraw/zinc/16/53/75/158165375.db2.gz ZWEVVUCCPNSOPE-FJIDUMEYSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248217348 158165377 /nfs/dbraw/zinc/16/53/77/158165377.db2.gz ZWEVVUCCPNSOPE-FJIDUMEYSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248217348 158165378 /nfs/dbraw/zinc/16/53/78/158165378.db2.gz ZWEVVUCCPNSOPE-FJIDUMEYSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248217348 158165381 /nfs/dbraw/zinc/16/53/81/158165381.db2.gz ZWEVVUCCPNSOPE-FJIDUMEYSA-N 2 1 321.509 2.582 20 0 DFADMP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000248391067 158170107 /nfs/dbraw/zinc/17/01/07/158170107.db2.gz BXRDSAIHPOVZNF-IPMKNSEASA-N 2 1 314.473 2.913 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C[S@@](C)=O)cc1 ZINC000248502990 158180299 /nfs/dbraw/zinc/18/02/99/158180299.db2.gz UQBCGUSRRXCJKM-RRMDADRESA-N 2 1 305.447 2.598 20 0 DFADMP C[C@H](Cc1ccccc1)C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248601436 158188399 /nfs/dbraw/zinc/18/83/99/158188399.db2.gz VFQKRSMJBQNYQY-MSOLQXFVSA-N 2 1 318.505 2.890 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000355061712 158264319 /nfs/dbraw/zinc/26/43/19/158264319.db2.gz GOCKKVZUYVTKBY-SFHVURJKSA-N 2 1 315.505 2.904 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355072343 158267600 /nfs/dbraw/zinc/26/76/00/158267600.db2.gz RLUUREFUDQDOTB-HOTGVXAUSA-N 2 1 319.468 2.987 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000357059243 158357891 /nfs/dbraw/zinc/35/78/91/158357891.db2.gz WRLNQFXTMMQHNL-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000357059243 158357892 /nfs/dbraw/zinc/35/78/92/158357892.db2.gz WRLNQFXTMMQHNL-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000357082406 158361525 /nfs/dbraw/zinc/36/15/25/158361525.db2.gz OFGOYTJAROUTOJ-OALUTQOASA-N 2 1 323.440 2.702 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000357082406 158361528 /nfs/dbraw/zinc/36/15/28/158361528.db2.gz OFGOYTJAROUTOJ-OALUTQOASA-N 2 1 323.440 2.702 20 0 DFADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357085127 158362684 /nfs/dbraw/zinc/36/26/84/158362684.db2.gz QKNOKUYLJHWVDO-HIFRSBDPSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1cc2cccnc2c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357085127 158362686 /nfs/dbraw/zinc/36/26/86/158362686.db2.gz QKNOKUYLJHWVDO-HIFRSBDPSA-N 2 1 301.821 2.930 20 0 DFADMP c1csc(-c2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)co2)c1 ZINC000358505534 158383337 /nfs/dbraw/zinc/38/33/37/158383337.db2.gz JFHOUHZQOVICIR-UHFFFAOYSA-N 2 1 303.431 2.979 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000430966065 296816115 /nfs/dbraw/zinc/81/61/15/296816115.db2.gz MDZRVBREYSWHPX-RYUDHWBXSA-N 2 1 309.841 2.726 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@](C)(O)C1 ZINC000129518961 196054430 /nfs/dbraw/zinc/05/44/30/196054430.db2.gz HHHRPXIJLDNUBG-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@](C)(O)C1 ZINC000129518961 196054431 /nfs/dbraw/zinc/05/44/31/196054431.db2.gz HHHRPXIJLDNUBG-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000129518961 196054433 /nfs/dbraw/zinc/05/44/33/196054433.db2.gz HHHRPXIJLDNUBG-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000129584197 196059971 /nfs/dbraw/zinc/05/99/71/196059971.db2.gz FYIPUUHHMYPZEL-QXSJWSMHSA-N 2 1 306.450 2.781 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000130536416 196088547 /nfs/dbraw/zinc/08/85/47/196088547.db2.gz XNBQQODTSONXJL-AWEZNQCLSA-N 2 1 300.406 2.541 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1 ZINC000130536416 196088550 /nfs/dbraw/zinc/08/85/50/196088550.db2.gz XNBQQODTSONXJL-AWEZNQCLSA-N 2 1 300.406 2.541 20 0 DFADMP CC[NH+](CC)Cc1cccc(CNC(=O)C[N@@H+](CC)C2CC2)c1 ZINC000131231296 196152291 /nfs/dbraw/zinc/15/22/91/196152291.db2.gz PCROAGXMPJFZOX-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000131437271 196168690 /nfs/dbraw/zinc/16/86/90/196168690.db2.gz PMIUIFBBMLPLRW-SFHVURJKSA-N 2 1 309.413 2.748 20 0 DFADMP CN(CC[NH+]1CCC(Cc2[nH+]ccn2C)CC1)c1ccccc1 ZINC000131481128 196172550 /nfs/dbraw/zinc/17/25/50/196172550.db2.gz WGAQZBDMKPYRMD-UHFFFAOYSA-N 2 1 312.461 2.811 20 0 DFADMP Cc1cc(NCc2ccccc2OCC[NH+](C)C)nc(C)[nH+]1 ZINC000132050494 196222139 /nfs/dbraw/zinc/22/21/39/196222139.db2.gz CZVKDCWPUFTCBR-UHFFFAOYSA-N 2 1 300.406 2.646 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc1NC(C)=O ZINC000132158093 196231394 /nfs/dbraw/zinc/23/13/94/196231394.db2.gz PJTKGOXXXUMKBR-ZDUSSCGKSA-N 2 1 321.465 2.892 20 0 DFADMP CCOC(=O)CCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000132710646 196277741 /nfs/dbraw/zinc/27/77/41/196277741.db2.gz JUXJGGOMJWQYOW-MRXNPFEDSA-N 2 1 319.449 2.857 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000132710646 196277742 /nfs/dbraw/zinc/27/77/42/196277742.db2.gz JUXJGGOMJWQYOW-MRXNPFEDSA-N 2 1 319.449 2.857 20 0 DFADMP Cc1cc(N(CC[NH+](C)C)Cc2ccc(F)cc2F)nc(C)[nH+]1 ZINC000133322518 196329612 /nfs/dbraw/zinc/32/96/12/196329612.db2.gz MTAOLDWOENBCEI-UHFFFAOYSA-N 2 1 320.387 2.940 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc3cnccn23)CC1 ZINC000134154205 196366353 /nfs/dbraw/zinc/36/63/53/196366353.db2.gz PNHNHUNRWQAUER-UHFFFAOYSA-N 2 1 315.465 2.673 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1C ZINC000667561032 543630879 /nfs/dbraw/zinc/63/08/79/543630879.db2.gz JEZNBKMOVYBZTC-QGZVFWFLSA-N 2 1 304.482 2.672 20 0 DFADMP CCCOc1ccc(CN2CCC([N@@H+](C)CCO)CC2)c(C)c1 ZINC000667611429 543641004 /nfs/dbraw/zinc/64/10/04/543641004.db2.gz OASWDJWJHFQMJQ-UHFFFAOYSA-N 2 1 320.477 2.672 20 0 DFADMP C[N@@H+](CCCO)C1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667637102 543647001 /nfs/dbraw/zinc/64/70/01/543647001.db2.gz IBSPYWGYMKTXHV-UHFFFAOYSA-N 2 1 319.474 2.575 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667501887 543619246 /nfs/dbraw/zinc/61/92/46/543619246.db2.gz NTYZNQXHYYHILC-UHFFFAOYSA-N 2 1 305.470 2.557 20 0 DFADMP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n(CC2CC2)n1 ZINC000667502208 543619522 /nfs/dbraw/zinc/61/95/22/543619522.db2.gz XRVUEEAIJQSIAS-UHFFFAOYSA-N 2 1 302.466 2.601 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1F ZINC000667803850 543683582 /nfs/dbraw/zinc/68/35/82/543683582.db2.gz PHEGOUPOPWVYNW-QAPCUYQASA-N 2 1 315.392 2.977 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731601 543668687 /nfs/dbraw/zinc/66/86/87/543668687.db2.gz YDGYTXMDERZRHF-QLFBSQMISA-N 2 1 318.465 2.633 20 0 DFADMP COC[C@@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667996575 543720753 /nfs/dbraw/zinc/72/07/53/543720753.db2.gz RPBNPAGQCYFMBA-OAHLLOKOSA-N 2 1 300.406 2.516 20 0 DFADMP COC[C@@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667996575 543720756 /nfs/dbraw/zinc/72/07/56/543720756.db2.gz RPBNPAGQCYFMBA-OAHLLOKOSA-N 2 1 300.406 2.516 20 0 DFADMP CN(Cc1cc(F)ccc1OC(F)F)C[C@@H]1CC[N@@H+](C)C1 ZINC000668020491 543725043 /nfs/dbraw/zinc/72/50/43/543725043.db2.gz MWKTTYFVPIWPNK-LLVKDONJSA-N 2 1 302.340 2.811 20 0 DFADMP c1nc2n(c1C[N@H+]1CC3(CCC3)[C@@H]1C1CCOCC1)CCC2 ZINC000668251809 543777906 /nfs/dbraw/zinc/77/79/06/543777906.db2.gz KUYHXADHTXNDIN-KRWDZBQOSA-N 2 1 301.434 2.610 20 0 DFADMP Cc1ccc2cc(C[N@@H+](C)CCCN3CC[NH+](C)CC3)[nH]c2c1 ZINC000668162827 543755082 /nfs/dbraw/zinc/75/50/82/543755082.db2.gz JOYYPIUAXXHONX-UHFFFAOYSA-N 2 1 314.477 2.546 20 0 DFADMP CC1=CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000668488605 543814029 /nfs/dbraw/zinc/81/40/29/543814029.db2.gz CWEAMHVBNSTGGX-RTBURBONSA-N 2 1 300.446 2.842 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2C[C@@H]2c2ccccc2)CCO1 ZINC000668785856 543867544 /nfs/dbraw/zinc/86/75/44/543867544.db2.gz ZIGLXGSDYJAWQA-IPMKNSEASA-N 2 1 302.462 2.833 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2coc3ccccc23)CCO1 ZINC000668785730 543867686 /nfs/dbraw/zinc/86/76/86/543867686.db2.gz WGAAJTZTWMBGFQ-INIZCTEOSA-N 2 1 302.418 2.975 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2coc3ccccc23)CCO1 ZINC000668785730 543867691 /nfs/dbraw/zinc/86/76/91/543867691.db2.gz WGAAJTZTWMBGFQ-INIZCTEOSA-N 2 1 302.418 2.975 20 0 DFADMP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000669934567 544009567 /nfs/dbraw/zinc/00/95/67/544009567.db2.gz BOTZRCSKEQKTPZ-HOTGVXAUSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000669934567 544009570 /nfs/dbraw/zinc/00/95/70/544009570.db2.gz BOTZRCSKEQKTPZ-HOTGVXAUSA-N 2 1 303.450 2.869 20 0 DFADMP Cc1ccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)C2CC2)o1 ZINC000669688443 543983833 /nfs/dbraw/zinc/98/38/33/543983833.db2.gz QQMQDGJAFUDKQN-UHFFFAOYSA-N 2 1 319.493 2.969 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc3occc3c2)CC1 ZINC000671708295 544099893 /nfs/dbraw/zinc/09/98/93/544099893.db2.gz CWZDIWIKPNCWHJ-UHFFFAOYSA-N 2 1 301.434 2.550 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000671730463 544103752 /nfs/dbraw/zinc/10/37/52/544103752.db2.gz VNIDUTFBYORABV-SFHVURJKSA-N 2 1 319.493 2.591 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNCc1ccc(OCC[NH+](C)C)cc1 ZINC000671730463 544103754 /nfs/dbraw/zinc/10/37/54/544103754.db2.gz VNIDUTFBYORABV-SFHVURJKSA-N 2 1 319.493 2.591 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000671746244 544106001 /nfs/dbraw/zinc/10/60/01/544106001.db2.gz ZFLKIUKIOBVMLJ-BBWFWOEESA-N 2 1 318.461 2.927 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673038761 544165563 /nfs/dbraw/zinc/16/55/63/544165563.db2.gz KAOVOEGHAYEWTL-SJLPKXTDSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673038761 544165564 /nfs/dbraw/zinc/16/55/64/544165564.db2.gz KAOVOEGHAYEWTL-SJLPKXTDSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000673038761 544165565 /nfs/dbraw/zinc/16/55/65/544165565.db2.gz KAOVOEGHAYEWTL-SJLPKXTDSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000673038761 544165566 /nfs/dbraw/zinc/16/55/66/544165566.db2.gz KAOVOEGHAYEWTL-SJLPKXTDSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673038760 544165570 /nfs/dbraw/zinc/16/55/70/544165570.db2.gz KAOVOEGHAYEWTL-FUHWJXTLSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21 ZINC000673038760 544165571 /nfs/dbraw/zinc/16/55/71/544165571.db2.gz KAOVOEGHAYEWTL-FUHWJXTLSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000673038760 544165572 /nfs/dbraw/zinc/16/55/72/544165572.db2.gz KAOVOEGHAYEWTL-FUHWJXTLSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1Cc2ccccc2[C@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000673038760 544165573 /nfs/dbraw/zinc/16/55/73/544165573.db2.gz KAOVOEGHAYEWTL-FUHWJXTLSA-N 2 1 315.461 2.554 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442793807 297206275 /nfs/dbraw/zinc/20/62/75/297206275.db2.gz SCLBVIYEJIGOON-SOUVJXGZSA-N 2 1 303.450 2.806 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000442793807 297206277 /nfs/dbraw/zinc/20/62/77/297206277.db2.gz SCLBVIYEJIGOON-SOUVJXGZSA-N 2 1 303.450 2.806 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000674306013 544230650 /nfs/dbraw/zinc/23/06/50/544230650.db2.gz YOBRNSAWMKUYRS-NVXWUHKLSA-N 2 1 300.450 2.805 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000674365114 544235734 /nfs/dbraw/zinc/23/57/34/544235734.db2.gz HQAHSRMEFAALOT-ZWKOTPCHSA-N 2 1 321.509 2.582 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)ccc1O ZINC000297471609 227211155 /nfs/dbraw/zinc/21/11/55/227211155.db2.gz RFRXRIOKIWDQHY-CVEARBPZSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)ccc1O ZINC000297471609 227211161 /nfs/dbraw/zinc/21/11/61/227211161.db2.gz RFRXRIOKIWDQHY-CVEARBPZSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)ccc1O ZINC000297471609 227211168 /nfs/dbraw/zinc/21/11/68/227211168.db2.gz RFRXRIOKIWDQHY-CVEARBPZSA-N 2 1 304.434 2.707 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccc(OC(F)F)c(OC)c2)C1 ZINC000674877302 544272378 /nfs/dbraw/zinc/27/23/78/544272378.db2.gz OVCJMEBNRPJGGC-YPMHNXCESA-N 2 1 314.376 2.726 20 0 DFADMP c1n[nH]cc1CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566250 227311525 /nfs/dbraw/zinc/31/15/25/227311525.db2.gz CMYSXGOYHFODBJ-VQTJNVASSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566250 227311528 /nfs/dbraw/zinc/31/15/28/227311528.db2.gz CMYSXGOYHFODBJ-VQTJNVASSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000297566250 227311531 /nfs/dbraw/zinc/31/15/31/227311531.db2.gz CMYSXGOYHFODBJ-VQTJNVASSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000297566250 227311534 /nfs/dbraw/zinc/31/15/34/227311534.db2.gz CMYSXGOYHFODBJ-VQTJNVASSA-N 2 1 324.472 2.939 20 0 DFADMP C[N@@H+]1CCC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000675768413 544334831 /nfs/dbraw/zinc/33/48/31/544334831.db2.gz XVPJSKDBWWJJHK-IBGZPJMESA-N 2 1 319.468 2.516 20 0 DFADMP C[N@H+]1CCC[C@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000675768413 544334832 /nfs/dbraw/zinc/33/48/32/544334832.db2.gz XVPJSKDBWWJJHK-IBGZPJMESA-N 2 1 319.468 2.516 20 0 DFADMP C[C@H](CC1CCC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675897982 544342815 /nfs/dbraw/zinc/34/28/15/544342815.db2.gz ARSNVOLAIIRVMW-VQIMIIECSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](CC1CCC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675897982 544342818 /nfs/dbraw/zinc/34/28/18/544342818.db2.gz ARSNVOLAIIRVMW-VQIMIIECSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](CC1CCC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675897979 544342910 /nfs/dbraw/zinc/34/29/10/544342910.db2.gz ARSNVOLAIIRVMW-APWZRJJASA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](CC1CCC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675897979 544342911 /nfs/dbraw/zinc/34/29/11/544342911.db2.gz ARSNVOLAIIRVMW-APWZRJJASA-N 2 1 302.462 2.792 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](CC[C@H](C)[NH+]2CCC[C@H](OCC)C2)C1 ZINC000676252547 544366039 /nfs/dbraw/zinc/36/60/39/544366039.db2.gz QYFFKKKUKVTHQI-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000676252547 544366041 /nfs/dbraw/zinc/36/60/41/544366041.db2.gz QYFFKKKUKVTHQI-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000676252547 544366043 /nfs/dbraw/zinc/36/60/43/544366043.db2.gz QYFFKKKUKVTHQI-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccncc3)CC2)CC1 ZINC000676709687 544394737 /nfs/dbraw/zinc/39/47/37/544394737.db2.gz SWORPMPABBIWRB-QGZVFWFLSA-N 2 1 316.493 2.633 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000676414051 544375623 /nfs/dbraw/zinc/37/56/23/544375623.db2.gz KTRUAJREMISLKK-UHFFFAOYSA-N 2 1 314.429 2.965 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000677236527 544456880 /nfs/dbraw/zinc/45/68/80/544456880.db2.gz DWHICMIZFNPSQT-DOTOQJQBSA-N 2 1 301.434 2.752 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000677236527 544456882 /nfs/dbraw/zinc/45/68/82/544456882.db2.gz DWHICMIZFNPSQT-DOTOQJQBSA-N 2 1 301.434 2.752 20 0 DFADMP Cn1ccnc1C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000677242022 544458244 /nfs/dbraw/zinc/45/82/44/544458244.db2.gz WGJLENHPYLXBTL-FHWLQOOXSA-N 2 1 324.472 2.920 20 0 DFADMP C[C@H]1CC[N@H+](CCN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749513 544536068 /nfs/dbraw/zinc/53/60/68/544536068.db2.gz KFBXRZGFQMLKNA-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CC[N@@H+](CCN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749513 544536073 /nfs/dbraw/zinc/53/60/73/544536073.db2.gz KFBXRZGFQMLKNA-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CC[NH+](CCN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749513 544536075 /nfs/dbraw/zinc/53/60/75/544536075.db2.gz KFBXRZGFQMLKNA-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CC[NH+](CCN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749513 544536081 /nfs/dbraw/zinc/53/60/81/544536081.db2.gz KFBXRZGFQMLKNA-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]CCc1cccc(Cl)c1 ZINC000298481598 228571519 /nfs/dbraw/zinc/57/15/19/228571519.db2.gz PLUBDKLYMUAHEB-KRWDZBQOSA-N 2 1 310.869 2.709 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000493889925 299847256 /nfs/dbraw/zinc/84/72/56/299847256.db2.gz ZGLSXIYIUFYNSD-IAGOWNOFSA-N 2 1 321.371 2.980 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340892 544654543 /nfs/dbraw/zinc/65/45/43/544654543.db2.gz SDHFYAYQJXKSGW-JFIYKMOQSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340892 544654549 /nfs/dbraw/zinc/65/45/49/544654549.db2.gz SDHFYAYQJXKSGW-JFIYKMOQSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)CC[C@H]21 ZINC000678340892 544654553 /nfs/dbraw/zinc/65/45/53/544654553.db2.gz SDHFYAYQJXKSGW-JFIYKMOQSA-N 2 1 300.446 2.969 20 0 DFADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000678343575 544655814 /nfs/dbraw/zinc/65/58/14/544655814.db2.gz UQINCVZNUNRIAC-HZPDHXFCSA-N 2 1 324.472 2.821 20 0 DFADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678268579 544638920 /nfs/dbraw/zinc/63/89/20/544638920.db2.gz KYRUUWIBOOJQDH-KDURUIRLSA-N 2 1 316.445 2.524 20 0 DFADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1C[C@H]2CC[C@@H](C1)O2 ZINC000678268579 544638922 /nfs/dbraw/zinc/63/89/22/544638922.db2.gz KYRUUWIBOOJQDH-KDURUIRLSA-N 2 1 316.445 2.524 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3c(s2)CCC3)C1 ZINC000678837120 544733240 /nfs/dbraw/zinc/73/32/40/544733240.db2.gz PNNYFFOIEAFETD-CQSZACIVSA-N 2 1 323.506 2.565 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3c(s2)CCC3)C1 ZINC000678837120 544733244 /nfs/dbraw/zinc/73/32/44/544733244.db2.gz PNNYFFOIEAFETD-CQSZACIVSA-N 2 1 323.506 2.565 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCCc2nc3ccccc3n2C)CC[N@H+]1C ZINC000678592352 544698638 /nfs/dbraw/zinc/69/86/38/544698638.db2.gz QNGMZLYEGQGVMB-CABCVRRESA-N 2 1 300.450 2.578 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679023748 544770232 /nfs/dbraw/zinc/77/02/32/544770232.db2.gz WLEIWOCENKTBFT-LSDHHAIUSA-N 2 1 300.450 2.671 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000679074232 544779617 /nfs/dbraw/zinc/77/96/17/544779617.db2.gz AFMSBZCFQZDTLH-DKKFBQAASA-N 2 1 307.526 2.959 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H]3CCO[C@H](C)C3)C2)c1 ZINC000679331115 544835881 /nfs/dbraw/zinc/83/58/81/544835881.db2.gz DIWCTYRUWFMXPJ-ZACQAIPSSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H]3CCO[C@H](C)C3)C2)c1 ZINC000679331115 544835885 /nfs/dbraw/zinc/83/58/85/544835885.db2.gz DIWCTYRUWFMXPJ-ZACQAIPSSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)CCCCO)cc1F ZINC000679335271 544836565 /nfs/dbraw/zinc/83/65/65/544836565.db2.gz KNBFBGBBIDLDLR-CYBMUJFWSA-N 2 1 305.397 2.961 20 0 DFADMP CC(C)(CO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000679398127 544849590 /nfs/dbraw/zinc/84/95/90/544849590.db2.gz HTUUGROONGHJSX-BCDXTJNWSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[C@@H](CSc1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679364346 544841472 /nfs/dbraw/zinc/84/14/72/544841472.db2.gz XKROMWDQDPLRCN-GOSISDBHSA-N 2 1 322.518 2.850 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679624999 544884302 /nfs/dbraw/zinc/88/43/02/544884302.db2.gz NYKGMYNQNRDXGD-GDAAHCPNSA-N 2 1 302.462 2.790 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+]C3CSC3)CC2)cs1 ZINC000679840233 544916523 /nfs/dbraw/zinc/91/65/23/544916523.db2.gz AZFLGXAKUIIVOT-UHFFFAOYSA-N 2 1 311.520 2.623 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC(C)(C)OCC1(C)C ZINC000680329307 544991267 /nfs/dbraw/zinc/99/12/67/544991267.db2.gz ORMDNOZCASGCHK-UHFFFAOYSA-N 2 1 314.433 2.965 20 0 DFADMP C[C@@H]1C[C@@H](CNc2cc[nH+]cc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000302158063 230132831 /nfs/dbraw/zinc/13/28/31/230132831.db2.gz OHFYSYMVNWUCJA-ZBFHGGJFSA-N 2 1 324.428 2.503 20 0 DFADMP C[C@@H]1C[C@@H](CNc2cc[nH+]cc2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000302158063 230132835 /nfs/dbraw/zinc/13/28/35/230132835.db2.gz OHFYSYMVNWUCJA-ZBFHGGJFSA-N 2 1 324.428 2.503 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112337 544960419 /nfs/dbraw/zinc/96/04/19/544960419.db2.gz VHGVXPKKDZXMIA-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112337 544960421 /nfs/dbraw/zinc/96/04/21/544960421.db2.gz VHGVXPKKDZXMIA-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112337 544960425 /nfs/dbraw/zinc/96/04/25/544960425.db2.gz VHGVXPKKDZXMIA-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H](C(C)(C)C)C1 ZINC000680112337 544960430 /nfs/dbraw/zinc/96/04/30/544960430.db2.gz VHGVXPKKDZXMIA-QZTJIDSGSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000062349872 425899892 /nfs/dbraw/zinc/89/98/92/425899892.db2.gz XDIFZPDBIKRFQB-WMZOPIPTSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC000124505409 425923547 /nfs/dbraw/zinc/92/35/47/425923547.db2.gz SQBFDOKYDMRMEM-HNNXBMFYSA-N 2 1 307.457 2.750 20 0 DFADMP Clc1cc(C[NH2+]CCC[NH+]2CCCC2)cc2c1OCCO2 ZINC000036804312 425846596 /nfs/dbraw/zinc/84/65/96/425846596.db2.gz VIFCICXEGHUWRT-UHFFFAOYSA-N 2 1 310.825 2.687 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H](C)C[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000192440150 268037027 /nfs/dbraw/zinc/03/70/27/268037027.db2.gz MDVRPCALKBZLCC-CGLCSIQHSA-N 2 1 310.482 2.674 20 0 DFADMP Cc1cc(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)cc(C)c1OC(F)F ZINC000194541321 268106624 /nfs/dbraw/zinc/10/66/24/268106624.db2.gz BQSVUVPEEFBVGH-GASCZTMLSA-N 2 1 310.388 2.898 20 0 DFADMP Cc1cc(C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc(C)c1OC(F)F ZINC000194541321 268106626 /nfs/dbraw/zinc/10/66/26/268106626.db2.gz BQSVUVPEEFBVGH-GASCZTMLSA-N 2 1 310.388 2.898 20 0 DFADMP Cc1cc(C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc(C)c1OC(F)F ZINC000194541321 268106627 /nfs/dbraw/zinc/10/66/27/268106627.db2.gz BQSVUVPEEFBVGH-GASCZTMLSA-N 2 1 310.388 2.898 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000222919713 268141334 /nfs/dbraw/zinc/14/13/34/268141334.db2.gz HUZJINMMRYQJTB-GJZGRUSLSA-N 2 1 311.470 2.506 20 0 DFADMP CCC(CC)(C[NH2+]C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000226330027 268143494 /nfs/dbraw/zinc/14/34/94/268143494.db2.gz UEGBCVVWXGUSKW-UHFFFAOYSA-N 2 1 313.486 2.754 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236773238 268150151 /nfs/dbraw/zinc/15/01/51/268150151.db2.gz BIXIKNGONNDTPJ-QGZVFWFLSA-N 2 1 305.466 2.661 20 0 DFADMP Fc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000259044723 268168779 /nfs/dbraw/zinc/16/87/79/268168779.db2.gz PWFNBCSLAUURSP-GFCCVEGCSA-N 2 1 301.203 2.820 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1Br ZINC000259152420 268168832 /nfs/dbraw/zinc/16/88/32/268168832.db2.gz VDAQIDALJOQVJZ-CHWSQXEVSA-N 2 1 313.239 2.817 20 0 DFADMP CC(C)[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268885615 268186267 /nfs/dbraw/zinc/18/62/67/268186267.db2.gz LDTSANQENZFWST-IBGZPJMESA-N 2 1 322.468 2.829 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000269026407 268187523 /nfs/dbraw/zinc/18/75/23/268187523.db2.gz QPNQUGCBLCBCHK-FMKPAKJESA-N 2 1 304.434 2.809 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000269026407 268187525 /nfs/dbraw/zinc/18/75/25/268187525.db2.gz QPNQUGCBLCBCHK-FMKPAKJESA-N 2 1 304.434 2.809 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000270624804 268193966 /nfs/dbraw/zinc/19/39/66/268193966.db2.gz KQGDPNJZVONWES-HOTGVXAUSA-N 2 1 303.406 2.763 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1C[C@H](O)c1ccco1 ZINC000270624804 268193967 /nfs/dbraw/zinc/19/39/67/268193967.db2.gz KQGDPNJZVONWES-HOTGVXAUSA-N 2 1 303.406 2.763 20 0 DFADMP Cc1nccn1CC[N@H+]1CCCN(Cc2ccc(F)cc2)CC1 ZINC000270645166 268195544 /nfs/dbraw/zinc/19/55/44/268195544.db2.gz KIVBLZCHYLOOJC-UHFFFAOYSA-N 2 1 316.424 2.539 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1C[C@@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000270992255 268245228 /nfs/dbraw/zinc/24/52/28/268245228.db2.gz IKXMRFRDRKWFRP-JKIFEVAISA-N 2 1 310.388 2.557 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000272900180 268253571 /nfs/dbraw/zinc/25/35/71/268253571.db2.gz BIJBXGATXDRKJA-DOTOQJQBSA-N 2 1 306.450 2.501 20 0 DFADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000298580286 268315276 /nfs/dbraw/zinc/31/52/76/268315276.db2.gz XQORMDAMGFRENN-CYBMUJFWSA-N 2 1 312.417 2.662 20 0 DFADMP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562156 425875978 /nfs/dbraw/zinc/87/59/78/425875978.db2.gz UMRKDAVLTFPXBP-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H](CC[NH2+]C[C@@H](O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000307935312 268334662 /nfs/dbraw/zinc/33/46/62/268334662.db2.gz DRVKMASVQNXIFG-HIFRSBDPSA-N 2 1 318.383 2.800 20 0 DFADMP Cc1cc(OCC[N@@H+]2CCCO[C@H](C[NH3+])C2)ccc1C(C)C ZINC000313348281 268339764 /nfs/dbraw/zinc/33/97/64/268339764.db2.gz INLQINBBGZWJSU-QGZVFWFLSA-N 2 1 306.450 2.547 20 0 DFADMP Cc1cc(OCC[N@H+]2CCCO[C@H](C[NH3+])C2)ccc1C(C)C ZINC000313348281 268339766 /nfs/dbraw/zinc/33/97/66/268339766.db2.gz INLQINBBGZWJSU-QGZVFWFLSA-N 2 1 306.450 2.547 20 0 DFADMP CSCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000157920762 425941186 /nfs/dbraw/zinc/94/11/86/425941186.db2.gz MFMKMZMAFRXRFZ-GASCZTMLSA-N 2 1 300.512 2.561 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158832509 425948048 /nfs/dbraw/zinc/94/80/48/425948048.db2.gz OUPWMACZPLCEOV-MSOLQXFVSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158832509 425948051 /nfs/dbraw/zinc/94/80/51/425948051.db2.gz OUPWMACZPLCEOV-MSOLQXFVSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158832509 425948053 /nfs/dbraw/zinc/94/80/53/425948053.db2.gz OUPWMACZPLCEOV-MSOLQXFVSA-N 2 1 304.482 2.778 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125005338 425949812 /nfs/dbraw/zinc/94/98/12/425949812.db2.gz UGLVYIRWNYVDOH-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]([N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1(C)CC1 ZINC000158867770 425950018 /nfs/dbraw/zinc/95/00/18/425950018.db2.gz LJYXDJTVCNMPSB-RDJZCZTQSA-N 2 1 317.477 2.526 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000125095517 425953036 /nfs/dbraw/zinc/95/30/36/425953036.db2.gz QSQMYZLTHZCUTA-FSZRXZPDSA-N 2 1 306.450 2.781 20 0 DFADMP CCCNC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159048608 425953606 /nfs/dbraw/zinc/95/36/06/425953606.db2.gz BDNWULBNMGSZNC-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174122 425969420 /nfs/dbraw/zinc/96/94/20/425969420.db2.gz GMBUBVOVNHVZNV-CHWSQXEVSA-N 2 1 309.841 2.728 20 0 DFADMP COC(=O)c1cc(C[N@H+](C)CCCCn2cc[nH+]c2C)oc1C ZINC000125418723 425970727 /nfs/dbraw/zinc/97/07/27/425970727.db2.gz UHNIWNHEFDNNLQ-UHFFFAOYSA-N 2 1 319.405 2.792 20 0 DFADMP COC(=O)c1cc(C[N@@H+](C)CCCCn2cc[nH+]c2C)oc1C ZINC000125418723 425970730 /nfs/dbraw/zinc/97/07/30/425970730.db2.gz UHNIWNHEFDNNLQ-UHFFFAOYSA-N 2 1 319.405 2.792 20 0 DFADMP Cc1ccc(C)c(N2CCN(CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000125551700 425978232 /nfs/dbraw/zinc/97/82/32/425978232.db2.gz YYUMHZBXBKTKPP-SFHVURJKSA-N 2 1 301.478 2.910 20 0 DFADMP Cc1cc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)on1 ZINC000125544371 425978459 /nfs/dbraw/zinc/97/84/59/425978459.db2.gz KJRCCNXQXKAXBM-AWEZNQCLSA-N 2 1 303.406 2.774 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000125588132 425980200 /nfs/dbraw/zinc/98/02/00/425980200.db2.gz YCWQHKXCWDZYQX-BHYGNILZSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000125588132 425980204 /nfs/dbraw/zinc/98/02/04/425980204.db2.gz YCWQHKXCWDZYQX-BHYGNILZSA-N 2 1 305.441 2.867 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[NH+](C)C ZINC000126568227 426026465 /nfs/dbraw/zinc/02/64/65/426026465.db2.gz ZWYHKLXEBAXYRQ-CXAGYDPISA-N 2 1 314.433 2.698 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000161665645 426033978 /nfs/dbraw/zinc/03/39/78/426033978.db2.gz HABVWHPPCWYCHD-YALNPMBYSA-N 2 1 321.465 2.785 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCOC3)CC2)cs1 ZINC000161707976 426034992 /nfs/dbraw/zinc/03/49/92/426034992.db2.gz PGZWHKMEGXFDAY-CZUORRHYSA-N 2 1 323.506 2.678 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000111300260 426045898 /nfs/dbraw/zinc/04/58/98/426045898.db2.gz FEHAPSKFMVUTMM-LJQANCHMSA-N 2 1 302.462 2.587 20 0 DFADMP COC[C@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000162164957 426055274 /nfs/dbraw/zinc/05/52/74/426055274.db2.gz HNTCQZMNMSWNFC-IBGZPJMESA-N 2 1 302.462 2.974 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000076000930 426092053 /nfs/dbraw/zinc/09/20/53/426092053.db2.gz BAVJQPSZADZMOW-MRXNPFEDSA-N 2 1 305.466 2.871 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000076001754 426093532 /nfs/dbraw/zinc/09/35/32/426093532.db2.gz VVLBLZQIXGCRGG-OAHLLOKOSA-N 2 1 321.440 2.818 20 0 DFADMP C[N@@H+](CCOCC1CC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110084 426099937 /nfs/dbraw/zinc/09/99/37/426099937.db2.gz ISCGRSFEXRQRDB-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CCOCC1CC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110084 426099941 /nfs/dbraw/zinc/09/99/41/426099941.db2.gz ISCGRSFEXRQRDB-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CCOCC1CC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110084 426099945 /nfs/dbraw/zinc/09/99/45/426099945.db2.gz ISCGRSFEXRQRDB-IBGZPJMESA-N 2 1 302.462 2.867 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000128207863 426106776 /nfs/dbraw/zinc/10/67/76/426106776.db2.gz IACURVPHXYZXBY-KBPBESRZSA-N 2 1 323.506 2.549 20 0 DFADMP CC(C)Oc1cccc([C@@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000128266167 426110230 /nfs/dbraw/zinc/11/02/30/426110230.db2.gz SFKIFWLRPPXFCT-KYJSFNMBSA-N 2 1 306.450 2.580 20 0 DFADMP CC(C)(C)[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000164350229 426113411 /nfs/dbraw/zinc/11/34/11/426113411.db2.gz HFSHFXHYJVBMGF-DLBZAZTESA-N 2 1 317.477 2.531 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000164575587 426115621 /nfs/dbraw/zinc/11/56/21/426115621.db2.gz AAWHNEWITDXDRP-GJZGRUSLSA-N 2 1 303.450 2.713 20 0 DFADMP C[N@@H+](CCCF)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000128529223 426121561 /nfs/dbraw/zinc/12/15/61/426121561.db2.gz ILBYYNYIPJNSAF-GOSISDBHSA-N 2 1 308.441 2.723 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]([NH3+])C(C)C)c1 ZINC000165339233 426122653 /nfs/dbraw/zinc/12/26/53/426122653.db2.gz QOUNVCMGVVCRFT-INIZCTEOSA-N 2 1 314.433 2.977 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)cc1 ZINC000168318648 426134179 /nfs/dbraw/zinc/13/41/79/426134179.db2.gz DNCJZCHQZAMBCQ-CVEARBPZSA-N 2 1 320.477 2.888 20 0 DFADMP Cc1nccn1CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127606887 426075684 /nfs/dbraw/zinc/07/56/84/426075684.db2.gz QMYZIFRENAXPAT-AEFFLSMTSA-N 3 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127606887 426075687 /nfs/dbraw/zinc/07/56/87/426075687.db2.gz QMYZIFRENAXPAT-AEFFLSMTSA-N 3 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000127606887 426075690 /nfs/dbraw/zinc/07/56/90/426075690.db2.gz QMYZIFRENAXPAT-AEFFLSMTSA-N 3 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000127606887 426075691 /nfs/dbraw/zinc/07/56/91/426075691.db2.gz QMYZIFRENAXPAT-AEFFLSMTSA-N 3 1 302.466 2.530 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000127760649 426084587 /nfs/dbraw/zinc/08/45/87/426084587.db2.gz QXKYUXPZYHYDMR-SJLPKXTDSA-N 2 1 313.445 2.530 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000127760649 426084588 /nfs/dbraw/zinc/08/45/88/426084588.db2.gz QXKYUXPZYHYDMR-SJLPKXTDSA-N 2 1 313.445 2.530 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835787 426086636 /nfs/dbraw/zinc/08/66/36/426086636.db2.gz TXRRVNVLSQOJMU-CQSZACIVSA-N 2 1 308.388 2.763 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135120385 426206796 /nfs/dbraw/zinc/20/67/96/426206796.db2.gz GIGWQZZOKYNPRQ-QGZVFWFLSA-N 2 1 317.477 2.703 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000129985461 426143379 /nfs/dbraw/zinc/14/33/79/426143379.db2.gz BFKLOSPKPCMJHO-UHFFFAOYSA-N 2 1 306.435 2.620 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cnn(-c2ccccc2)c1 ZINC000130390543 426158249 /nfs/dbraw/zinc/15/82/49/426158249.db2.gz NCNNQFPUIAGKBY-JTDSTZFVSA-N 2 1 312.461 2.733 20 0 DFADMP C[C@@H]1CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@@H](C)O1 ZINC000130454725 426160479 /nfs/dbraw/zinc/16/04/79/426160479.db2.gz QBTGUJBGTCQORQ-HZPDHXFCSA-N 2 1 310.482 2.567 20 0 DFADMP Cn1cc(C[N@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000115517528 426166162 /nfs/dbraw/zinc/16/61/62/426166162.db2.gz FRWUWIYXWDXCGC-UHFFFAOYSA-N 2 1 321.428 2.681 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000116396070 426188729 /nfs/dbraw/zinc/18/87/29/426188729.db2.gz JYXHBASAUVICQI-CVEARBPZSA-N 2 1 313.530 2.976 20 0 DFADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCC(C)CC1 ZINC000116397331 426189392 /nfs/dbraw/zinc/18/93/92/426189392.db2.gz JAGDZBGJIHQOOW-JKSUJKDBSA-N 2 1 311.514 2.589 20 0 DFADMP O[C@@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000134879346 426197836 /nfs/dbraw/zinc/19/78/36/426197836.db2.gz CSPOKGNKBPTMOP-ZMYBRWDISA-N 2 1 318.436 2.808 20 0 DFADMP O[C@@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000134879346 426197837 /nfs/dbraw/zinc/19/78/37/426197837.db2.gz CSPOKGNKBPTMOP-ZMYBRWDISA-N 2 1 318.436 2.808 20 0 DFADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1F ZINC000134879346 426197838 /nfs/dbraw/zinc/19/78/38/426197838.db2.gz CSPOKGNKBPTMOP-ZMYBRWDISA-N 2 1 318.436 2.808 20 0 DFADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1F ZINC000134879346 426197839 /nfs/dbraw/zinc/19/78/39/426197839.db2.gz CSPOKGNKBPTMOP-ZMYBRWDISA-N 2 1 318.436 2.808 20 0 DFADMP COC(=O)c1occc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134890875 426197864 /nfs/dbraw/zinc/19/78/64/426197864.db2.gz RMVITOPZMMRGHS-CZUORRHYSA-N 2 1 318.417 2.515 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134902177 426199976 /nfs/dbraw/zinc/19/99/76/426199976.db2.gz NBVRKNDZOYINQE-WBVHZDCISA-N 2 1 308.466 2.669 20 0 DFADMP CCOC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134902177 426199977 /nfs/dbraw/zinc/19/99/77/426199977.db2.gz NBVRKNDZOYINQE-WBVHZDCISA-N 2 1 308.466 2.669 20 0 DFADMP CCOC(=O)CCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134902177 426199980 /nfs/dbraw/zinc/19/99/80/426199980.db2.gz NBVRKNDZOYINQE-WBVHZDCISA-N 2 1 308.466 2.669 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2OC)C1 ZINC000081571719 426224324 /nfs/dbraw/zinc/22/43/24/426224324.db2.gz RBPPWWUKADHVRH-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2ccccc2OC)C1 ZINC000081571719 426224325 /nfs/dbraw/zinc/22/43/25/426224325.db2.gz RBPPWWUKADHVRH-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2OC)C1 ZINC000081571719 426224327 /nfs/dbraw/zinc/22/43/27/426224327.db2.gz RBPPWWUKADHVRH-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2OC)C1 ZINC000081571719 426224328 /nfs/dbraw/zinc/22/43/28/426224328.db2.gz RBPPWWUKADHVRH-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CC(C)CC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135318060 426213146 /nfs/dbraw/zinc/21/31/46/426213146.db2.gz RCFWOVIGJOJHOU-GOSISDBHSA-N 2 1 323.525 2.876 20 0 DFADMP COC(=O)c1ccc(CN(C)CC[C@H]2CCCC[N@H+]2C)s1 ZINC000119437626 426288999 /nfs/dbraw/zinc/28/89/99/426288999.db2.gz CELZTLYQHVCAMS-CYBMUJFWSA-N 2 1 310.463 2.841 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151328386 426290385 /nfs/dbraw/zinc/29/03/85/426290385.db2.gz FFMICEAIVDTEBY-VQIMIIECSA-N 2 1 318.461 2.509 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(C)=O)[C@H](C)C1 ZINC000175725007 426324378 /nfs/dbraw/zinc/32/43/78/426324378.db2.gz YFUNPDKCKHOCAW-CRAIPNDOSA-N 2 1 318.461 2.930 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2C(C)=O)[C@H](C)C1 ZINC000175725007 426324381 /nfs/dbraw/zinc/32/43/81/426324381.db2.gz YFUNPDKCKHOCAW-CRAIPNDOSA-N 2 1 318.461 2.930 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2C(C)=O)[C@H](C)C1 ZINC000175725007 426324383 /nfs/dbraw/zinc/32/43/83/426324383.db2.gz YFUNPDKCKHOCAW-CRAIPNDOSA-N 2 1 318.461 2.930 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2C(C)=O)[C@H](C)C1 ZINC000175725007 426324385 /nfs/dbraw/zinc/32/43/85/426324385.db2.gz YFUNPDKCKHOCAW-CRAIPNDOSA-N 2 1 318.461 2.930 20 0 DFADMP Cc1ccsc1C[N@H+](C)C1CCN(CCn2cccn2)CC1 ZINC000121209457 426324623 /nfs/dbraw/zinc/32/46/23/426324623.db2.gz GBQLPMFWPLIZJN-UHFFFAOYSA-N 2 1 318.490 2.849 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000121238969 426327321 /nfs/dbraw/zinc/32/73/21/426327321.db2.gz QVWHZZMDJVYNFJ-YOEHRIQHSA-N 2 1 307.507 2.785 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC000121238969 426327324 /nfs/dbraw/zinc/32/73/24/426327324.db2.gz QVWHZZMDJVYNFJ-YOEHRIQHSA-N 2 1 307.507 2.785 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121233961 426327517 /nfs/dbraw/zinc/32/75/17/426327517.db2.gz WOVZUGXDNJEFTM-HLIPFELVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCn1cnc2ccccc21 ZINC000121238397 426328074 /nfs/dbraw/zinc/32/80/74/426328074.db2.gz BGMOXBHYTJEGEV-INMHGKMJSA-N 2 1 300.450 2.745 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCN2CCCc3ccccc32)CC[N@@H+]1C ZINC000090551655 426328237 /nfs/dbraw/zinc/32/82/37/426328237.db2.gz PBRVZADTXWKGBV-AEFFLSMTSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCN2CCCc3ccccc32)CC[N@H+]1C ZINC000090551655 426328240 /nfs/dbraw/zinc/32/82/40/426328240.db2.gz PBRVZADTXWKGBV-AEFFLSMTSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCN2CCCc3ccccc32)CC[NH+]1C ZINC000090551655 426328242 /nfs/dbraw/zinc/32/82/42/426328242.db2.gz PBRVZADTXWKGBV-AEFFLSMTSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCN2CCCc3ccccc32)CC[NH+]1C ZINC000090551655 426328246 /nfs/dbraw/zinc/32/82/46/426328246.db2.gz PBRVZADTXWKGBV-AEFFLSMTSA-N 2 1 301.478 2.854 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000089137290 426280105 /nfs/dbraw/zinc/28/01/05/426280105.db2.gz ISMJLDHPAYYXRT-OAHLLOKOSA-N 2 1 311.514 2.734 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000151275196 426286724 /nfs/dbraw/zinc/28/67/24/426286724.db2.gz UHQLLNIDXSNUBD-MSOLQXFVSA-N 2 1 318.461 2.509 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000151263335 426287492 /nfs/dbraw/zinc/28/74/92/426287492.db2.gz ZSPJDSBJZSOVFJ-SJLPKXTDSA-N 2 1 306.450 2.583 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829986 426397116 /nfs/dbraw/zinc/39/71/16/426397116.db2.gz VZPLBBDPJQJQSF-ILXRZTDVSA-N 2 1 313.486 2.608 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2nc(C)ccc2O)C1 ZINC000122857248 426398982 /nfs/dbraw/zinc/39/89/82/426398982.db2.gz JRGMOVZAVIPIQG-AWEZNQCLSA-N 2 1 300.406 2.692 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2nc(C)ccc2O)C1 ZINC000122857248 426398985 /nfs/dbraw/zinc/39/89/85/426398985.db2.gz JRGMOVZAVIPIQG-AWEZNQCLSA-N 2 1 300.406 2.692 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@@H]2CCOC2)cc1F ZINC000153695197 426399813 /nfs/dbraw/zinc/39/98/13/426399813.db2.gz UZJZQGLCVIXSRA-IUODEOHRSA-N 2 1 303.381 2.834 20 0 DFADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc2c(c1)CCO2 ZINC000153755844 426403844 /nfs/dbraw/zinc/40/38/44/426403844.db2.gz RWFUFXUGUQRKFS-KRWDZBQOSA-N 2 1 306.450 2.631 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(F)cc1F ZINC000153763089 426404153 /nfs/dbraw/zinc/40/41/53/426404153.db2.gz YVSYPGVHKOIGJB-MRXNPFEDSA-N 2 1 300.393 2.974 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(F)cc1F ZINC000153763089 426404155 /nfs/dbraw/zinc/40/41/55/426404155.db2.gz YVSYPGVHKOIGJB-MRXNPFEDSA-N 2 1 300.393 2.974 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C)C2)s1 ZINC000092747731 426350840 /nfs/dbraw/zinc/35/08/40/426350840.db2.gz RDNANHZJCNJILL-OCCSQVGLSA-N 2 1 311.495 2.633 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000092747731 426350844 /nfs/dbraw/zinc/35/08/44/426350844.db2.gz RDNANHZJCNJILL-OCCSQVGLSA-N 2 1 311.495 2.633 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3=CCCOC3)CC2)C[C@H](C)O1 ZINC000093844412 426358605 /nfs/dbraw/zinc/35/86/05/426358605.db2.gz FXQQLFLPSUCJBG-CALCHBBNSA-N 2 1 322.493 2.544 20 0 DFADMP CCCC[C@H](COC)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152861829 426358678 /nfs/dbraw/zinc/35/86/78/426358678.db2.gz YGDJMCOLUZTINK-LJQANCHMSA-N 2 1 319.493 2.883 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122458345 426375964 /nfs/dbraw/zinc/37/59/64/426375964.db2.gz VJTMXVBTXUXCLE-KDOFPFPSSA-N 2 1 315.461 2.855 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122458345 426375968 /nfs/dbraw/zinc/37/59/68/426375968.db2.gz VJTMXVBTXUXCLE-KDOFPFPSSA-N 2 1 315.461 2.855 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000122472576 426377445 /nfs/dbraw/zinc/37/74/45/426377445.db2.gz JBTWSGIHGRFHEB-KRWDZBQOSA-N 2 1 317.477 2.847 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000122747427 426392721 /nfs/dbraw/zinc/39/27/21/426392721.db2.gz VVZJIJSEHUDKRY-OCCSQVGLSA-N 2 1 309.841 2.728 20 0 DFADMP CCOc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153840432 426408681 /nfs/dbraw/zinc/40/86/81/426408681.db2.gz YUKJBQGHIYBMKJ-SQWLQELKSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153840432 426408687 /nfs/dbraw/zinc/40/86/87/426408687.db2.gz YUKJBQGHIYBMKJ-SQWLQELKSA-N 2 1 306.450 2.912 20 0 DFADMP CCC[N@@H+](CCn1ccnc1)CC(=O)Nc1ccccc1C ZINC000176839125 426418978 /nfs/dbraw/zinc/41/89/78/426418978.db2.gz GRQJPQWMXFCMMK-UHFFFAOYSA-N 2 1 300.406 2.542 20 0 DFADMP CCCN(CCn1ccnc1)CC(=O)Nc1ccccc1C ZINC000176839125 426418981 /nfs/dbraw/zinc/41/89/81/426418981.db2.gz GRQJPQWMXFCMMK-UHFFFAOYSA-N 2 1 300.406 2.542 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCCOc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000123527643 426439406 /nfs/dbraw/zinc/43/94/06/426439406.db2.gz LCUMMCHOTLRVBV-HUUCEWRRSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCCOc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000123527643 426439408 /nfs/dbraw/zinc/43/94/08/426439408.db2.gz LCUMMCHOTLRVBV-HUUCEWRRSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCCOc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123527643 426439411 /nfs/dbraw/zinc/43/94/11/426439411.db2.gz LCUMMCHOTLRVBV-HUUCEWRRSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCCOc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123527643 426439415 /nfs/dbraw/zinc/43/94/15/426439415.db2.gz LCUMMCHOTLRVBV-HUUCEWRRSA-N 2 1 320.433 2.599 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000154449435 426441926 /nfs/dbraw/zinc/44/19/26/426441926.db2.gz FWOJTNVCBGNZNO-LJQANCHMSA-N 2 1 319.468 2.820 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)CC[N@@H+]1C ZINC000123863357 426458045 /nfs/dbraw/zinc/45/80/45/426458045.db2.gz KVAILSHMXAGKQB-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)CC[N@H+]1C ZINC000123863357 426458047 /nfs/dbraw/zinc/45/80/47/426458047.db2.gz KVAILSHMXAGKQB-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC[NH+]1C ZINC000123863357 426458048 /nfs/dbraw/zinc/45/80/48/426458048.db2.gz KVAILSHMXAGKQB-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)CC[NH+]1C ZINC000123863357 426458051 /nfs/dbraw/zinc/45/80/51/426458051.db2.gz KVAILSHMXAGKQB-XJKSGUPXSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc2ccccc2o1 ZINC000155120581 426463854 /nfs/dbraw/zinc/46/38/54/426463854.db2.gz WOOJREXWUWKEOS-CABCVRRESA-N 2 1 301.434 2.719 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2NCc2nccn2C)C[C@H](C)O1 ZINC000124108967 426470551 /nfs/dbraw/zinc/47/05/51/426470551.db2.gz XUZSMRFNGJCVTB-GASCZTMLSA-N 2 1 314.433 2.641 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000124145919 426472107 /nfs/dbraw/zinc/47/21/07/426472107.db2.gz LTFOBMCUAGHJIT-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC[C@@H]1CCC[NH+]1C ZINC000124212567 426475002 /nfs/dbraw/zinc/47/50/02/426475002.db2.gz YSPSOPZFQDKLMQ-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CCN1CC[C@@H]1CCC[N@@H+]1C ZINC000124212567 426475004 /nfs/dbraw/zinc/47/50/04/426475004.db2.gz YSPSOPZFQDKLMQ-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCc3cc(F)ccc32)CC1 ZINC000124321267 426479997 /nfs/dbraw/zinc/47/99/97/426479997.db2.gz ILBXOMSLUZCUCO-IBGZPJMESA-N 2 1 319.468 2.676 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000177461026 426480908 /nfs/dbraw/zinc/48/09/08/426480908.db2.gz KNHDNZMHGCJQRG-RDJZCZTQSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@H]([NH2+]CCCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272378395 426511287 /nfs/dbraw/zinc/51/12/87/426511287.db2.gz BLYZKIICOGYAQU-PKOBYXMFSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272392642 426514914 /nfs/dbraw/zinc/51/49/14/426514914.db2.gz YCOUZKAIWSPOPQ-RYRKJORJSA-N 2 1 312.461 2.981 20 0 DFADMP COC(=O)c1oc(CN2CC[C@@H](C)[C@H](n3ccnc3)C2)cc1C ZINC000177909788 426536535 /nfs/dbraw/zinc/53/65/35/426536535.db2.gz WRVVWDCCHCDJKO-IUODEOHRSA-N 2 1 317.389 2.654 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc4ccccc4o3)C2)CC1 ZINC000177930978 426541127 /nfs/dbraw/zinc/54/11/27/426541127.db2.gz BVNGPXQHBSAGCP-QGZVFWFLSA-N 2 1 313.445 2.645 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3CCOCC3)CC2)C[C@H](C)O1 ZINC000177484359 426489090 /nfs/dbraw/zinc/48/90/90/426489090.db2.gz RMTKSUACZDHMGQ-CALCHBBNSA-N 2 1 324.509 2.624 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195138570 426502089 /nfs/dbraw/zinc/50/20/89/426502089.db2.gz HVCBCXRSRLBUMO-PKOBYXMFSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321364 426505110 /nfs/dbraw/zinc/50/51/10/426505110.db2.gz FSNRUUGKPDLDJO-OWYHZJEWSA-N 2 1 301.478 2.894 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273030929 426578750 /nfs/dbraw/zinc/57/87/50/426578750.db2.gz FMKHKICBJPLKME-OAHLLOKOSA-N 2 1 306.450 2.765 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000273053647 426583160 /nfs/dbraw/zinc/58/31/60/426583160.db2.gz KFAYQOOPNXKOJA-QGZVFWFLSA-N 2 1 319.493 2.682 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273052994 426583187 /nfs/dbraw/zinc/58/31/87/426583187.db2.gz KUXYJBBUTKCWIJ-YSIASYRMSA-N 2 1 324.472 2.810 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000273052997 426584397 /nfs/dbraw/zinc/58/43/97/426584397.db2.gz KUXYJBBUTKCWIJ-YZGWKJHDSA-N 2 1 324.472 2.810 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000178228859 426589759 /nfs/dbraw/zinc/58/97/59/426589759.db2.gz NHJRJUGJJJKEEK-WBVHZDCISA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000178228859 426589763 /nfs/dbraw/zinc/58/97/63/426589763.db2.gz NHJRJUGJJJKEEK-WBVHZDCISA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccc(OCC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178306312 426600281 /nfs/dbraw/zinc/60/02/81/426600281.db2.gz WNMNSUYIEVBTSK-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)cc1 ZINC000178306312 426600286 /nfs/dbraw/zinc/60/02/86/426600286.db2.gz WNMNSUYIEVBTSK-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cn2c(cccc2C)n1 ZINC000178296403 426601876 /nfs/dbraw/zinc/60/18/76/426601876.db2.gz SEKDTUGXQIKLSS-QGZVFWFLSA-N 2 1 309.417 2.812 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn2c(cccc2C)n1 ZINC000178296403 426601880 /nfs/dbraw/zinc/60/18/80/426601880.db2.gz SEKDTUGXQIKLSS-QGZVFWFLSA-N 2 1 309.417 2.812 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]4OCCC[C@H]34)CC2)cc1 ZINC000186904829 426603869 /nfs/dbraw/zinc/60/38/69/426603869.db2.gz DZYCEMLMELLKOR-GUDVDZBRSA-N 2 1 300.446 2.808 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC[NH+](C)C)cc1 ZINC000265257966 426606421 /nfs/dbraw/zinc/60/64/21/426606421.db2.gz KMONYMLUUWKRQG-UHFFFAOYSA-N 2 1 305.466 2.600 20 0 DFADMP Cc1cccc(CC2(O)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)c1 ZINC000280592208 426609299 /nfs/dbraw/zinc/60/92/99/426609299.db2.gz UIYYEVYKDQCKKF-IBGZPJMESA-N 2 1 316.489 2.849 20 0 DFADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280627122 426619728 /nfs/dbraw/zinc/61/97/28/426619728.db2.gz YPMXPTSHTGKRQX-OTWHNJEPSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280627122 426619733 /nfs/dbraw/zinc/61/97/33/426619733.db2.gz YPMXPTSHTGKRQX-OTWHNJEPSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](C[C@@H]4CCCCO4)C[C@@H]3C2)cc1 ZINC000280627122 426619736 /nfs/dbraw/zinc/61/97/36/426619736.db2.gz YPMXPTSHTGKRQX-OTWHNJEPSA-N 2 1 300.446 2.619 20 0 DFADMP Cc1noc([C@H]2CCC[N@@H+](CCCc3cnccc3C)C2)n1 ZINC000288959848 426557793 /nfs/dbraw/zinc/55/77/93/426557793.db2.gz AWBSMKNXTKUJDG-INIZCTEOSA-N 2 1 300.406 2.894 20 0 DFADMP COCCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280362729 426558471 /nfs/dbraw/zinc/55/84/71/426558471.db2.gz JAADIRSNJOIYIR-KDURUIRLSA-N 2 1 302.462 2.867 20 0 DFADMP COCCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280362729 426558476 /nfs/dbraw/zinc/55/84/76/426558476.db2.gz JAADIRSNJOIYIR-KDURUIRLSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)c1cnn(C)c1 ZINC000272562499 426559016 /nfs/dbraw/zinc/55/90/16/426559016.db2.gz NXDIRDIXOXFNFD-MFHCWRBVSA-N 2 1 324.472 2.981 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@@H]21 ZINC000230131206 426643031 /nfs/dbraw/zinc/64/30/31/426643031.db2.gz GIOJVVAMZRFQMB-VBNZEHGJSA-N 2 1 306.837 2.834 20 0 DFADMP CCc1nc2c(s1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000178521401 426646542 /nfs/dbraw/zinc/64/65/42/426646542.db2.gz SRPNBHLYJMOCKH-AWEZNQCLSA-N 2 1 323.506 2.519 20 0 DFADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000280835227 426665284 /nfs/dbraw/zinc/66/52/84/426665284.db2.gz JZYLXRUUVQVSDQ-ZIAGYGMSSA-N 2 1 317.433 2.991 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000236661401 426671344 /nfs/dbraw/zinc/67/13/44/426671344.db2.gz RJLQSWHTPJWXDK-IYBDPMFKSA-N 2 1 311.514 2.626 20 0 DFADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000178675695 426674894 /nfs/dbraw/zinc/67/48/94/426674894.db2.gz ZRXWMJZFMOLLKR-MRXNPFEDSA-N 2 1 323.868 2.545 20 0 DFADMP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)cc1 ZINC000236681505 426675482 /nfs/dbraw/zinc/67/54/82/426675482.db2.gz KGFDHEAQMWXIPI-UXHICEINSA-N 2 1 313.489 2.867 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000178703939 426679210 /nfs/dbraw/zinc/67/92/10/426679210.db2.gz VYQNSEYSUHAYGJ-JKSUJKDBSA-N 2 1 320.481 2.598 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CC[NH2+]C2)c1 ZINC000236727361 426680505 /nfs/dbraw/zinc/68/05/05/426680505.db2.gz WETAQYUEPWVGAY-GOSISDBHSA-N 2 1 317.477 2.534 20 0 DFADMP Cc1nc(C)c([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000178738917 426684350 /nfs/dbraw/zinc/68/43/50/426684350.db2.gz XOSJTKJBCBAQCO-CYBMUJFWSA-N 2 1 324.538 2.684 20 0 DFADMP C[C@H](NCCC[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178412627 426624268 /nfs/dbraw/zinc/62/42/68/426624268.db2.gz INYGLHUVOJKVJN-KRWDZBQOSA-N 2 1 319.493 2.764 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000290145211 426703022 /nfs/dbraw/zinc/70/30/22/426703022.db2.gz KYBJVUJHGOXVDX-QWXYKEQDSA-N 2 1 302.462 2.910 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)c2c[nH+]ccc2N(C)C)c1 ZINC000273665472 426705431 /nfs/dbraw/zinc/70/54/31/426705431.db2.gz CYLQLQXWDAMIGY-UHFFFAOYSA-N 2 1 312.417 2.770 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000178846035 426707713 /nfs/dbraw/zinc/70/77/13/426707713.db2.gz QBHAETJWEXFUNR-XJKSGUPXSA-N 2 1 312.417 2.500 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2ccc(Br)o2)CC[N@H+]1C ZINC000188075980 426720080 /nfs/dbraw/zinc/72/00/80/426720080.db2.gz PXKFYOXUDHEHDQ-QWRGUYRKSA-N 2 1 301.228 2.957 20 0 DFADMP Cc1ccccc1C1CC[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC1 ZINC000290093324 426691414 /nfs/dbraw/zinc/69/14/14/426691414.db2.gz WBPGDNACYCJAHX-GOSISDBHSA-N 2 1 302.462 2.630 20 0 DFADMP Cc1ccccc1C1CC[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC1 ZINC000290093324 426691418 /nfs/dbraw/zinc/69/14/18/426691418.db2.gz WBPGDNACYCJAHX-GOSISDBHSA-N 2 1 302.462 2.630 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)cccc3C)C2)CC1 ZINC000265804354 426694222 /nfs/dbraw/zinc/69/42/22/426694222.db2.gz OEMBHSYVHQLKQB-SFHVURJKSA-N 2 1 301.478 2.515 20 0 DFADMP Cn1cc(CC[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cn1 ZINC000265823439 426697424 /nfs/dbraw/zinc/69/74/24/426697424.db2.gz IVVYNVIFWSJAQL-UHFFFAOYSA-N 2 1 312.461 2.559 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000237874797 426697582 /nfs/dbraw/zinc/69/75/82/426697582.db2.gz OSKVMNBUCYTFKT-FGTMMUONSA-N 2 1 321.509 2.665 20 0 DFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC1OCCO1 ZINC000274436401 426767233 /nfs/dbraw/zinc/76/72/33/426767233.db2.gz IAMJNPOCMXGWHK-OAHLLOKOSA-N 2 1 315.417 2.572 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CCC[N@@H+](C2CCCC2)CC1 ZINC000179249567 426773638 /nfs/dbraw/zinc/77/36/38/426773638.db2.gz NYYJIGVDJTWPBG-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CCC[N@H+](C2CCCC2)CC1 ZINC000179249567 426773643 /nfs/dbraw/zinc/77/36/43/426773643.db2.gz NYYJIGVDJTWPBG-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000245855583 426776529 /nfs/dbraw/zinc/77/65/29/426776529.db2.gz NLFRKBZUGZCLMC-BHIYHBOVSA-N 2 1 300.446 2.595 20 0 DFADMP Cn1c(Cl)cnc1C[NH2+]Cc1ccccc1Cn1ccnc1 ZINC000281846935 426779133 /nfs/dbraw/zinc/77/91/33/426779133.db2.gz YUVIGQBFLPIKRF-UHFFFAOYSA-N 2 1 315.808 2.608 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290512835 426781775 /nfs/dbraw/zinc/78/17/75/426781775.db2.gz PREYIKVNMFDFJY-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000290512835 426781780 /nfs/dbraw/zinc/78/17/80/426781780.db2.gz PREYIKVNMFDFJY-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP Cc1nccn1CCCC[N@H+](C)CC(=O)Nc1ccccc1 ZINC000179399198 426783950 /nfs/dbraw/zinc/78/39/50/426783950.db2.gz HUADNGQROPENCJ-UHFFFAOYSA-N 2 1 300.406 2.542 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1ccccc1 ZINC000179399198 426783961 /nfs/dbraw/zinc/78/39/61/426783961.db2.gz HUADNGQROPENCJ-UHFFFAOYSA-N 2 1 300.406 2.542 20 0 DFADMP O[C@H]1C[C@@H](c2cccc(F)c2)[N@@H+](Cc2cccc3nccn32)C1 ZINC000281895826 426787438 /nfs/dbraw/zinc/78/74/38/426787438.db2.gz YQKGMXONCWSJHP-IRXDYDNUSA-N 2 1 311.360 2.781 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)c1 ZINC000178956117 426724704 /nfs/dbraw/zinc/72/47/04/426724704.db2.gz ZSFPQERLRMKYFR-QGZVFWFLSA-N 2 1 304.434 2.840 20 0 DFADMP CC(C)(C)c1csc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)n1 ZINC000178971430 426727739 /nfs/dbraw/zinc/72/77/39/426727739.db2.gz KOKGKPCPGUCHCT-AWEZNQCLSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)(C)c1csc([C@@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)n1 ZINC000178971430 426727742 /nfs/dbraw/zinc/72/77/42/426727742.db2.gz KOKGKPCPGUCHCT-AWEZNQCLSA-N 2 1 323.506 2.814 20 0 DFADMP Fc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178968706 426727979 /nfs/dbraw/zinc/72/79/79/426727979.db2.gz OBTWPSGEVBMLRQ-GOSISDBHSA-N 2 1 306.425 2.806 20 0 DFADMP COCC[N@H+]1CC[C@@H](Nc2ccc(Cl)c(C[NH+](C)C)c2)C1 ZINC000281614511 426730858 /nfs/dbraw/zinc/73/08/58/426730858.db2.gz NHUDXRCFRKDBMD-OAHLLOKOSA-N 2 1 311.857 2.534 20 0 DFADMP C[N@@H+]1CCN(CCNc2cc[nH+]c3ccsc32)CC1(C)C ZINC000281650695 426738209 /nfs/dbraw/zinc/73/82/09/426738209.db2.gz NNGYGDOFQSSICI-UHFFFAOYSA-N 2 1 304.463 2.734 20 0 DFADMP C[N@H+]1CCN(CCNc2cc[nH+]c3ccsc32)CC1(C)C ZINC000281650695 426738215 /nfs/dbraw/zinc/73/82/15/426738215.db2.gz NNGYGDOFQSSICI-UHFFFAOYSA-N 2 1 304.463 2.734 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC1CC[NH+](Cc2ccccn2)CC1 ZINC000290312820 426739242 /nfs/dbraw/zinc/73/92/42/426739242.db2.gz ZXQOELPHBYFGRB-QGZVFWFLSA-N 2 1 318.509 2.756 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@@H](O)c1c(F)cccc1F ZINC000266602306 426746841 /nfs/dbraw/zinc/74/68/41/426746841.db2.gz RHPSTAXUYRIILT-XJKSGUPXSA-N 2 1 312.404 2.804 20 0 DFADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290348729 426747413 /nfs/dbraw/zinc/74/74/13/426747413.db2.gz FYBUYJKOAYWUIA-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)ccc1OC ZINC000290348729 426747418 /nfs/dbraw/zinc/74/74/18/426747418.db2.gz FYBUYJKOAYWUIA-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)ccc1OC ZINC000290348729 426747422 /nfs/dbraw/zinc/74/74/22/426747422.db2.gz FYBUYJKOAYWUIA-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000290348729 426747425 /nfs/dbraw/zinc/74/74/25/426747425.db2.gz FYBUYJKOAYWUIA-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000290377484 426753091 /nfs/dbraw/zinc/75/30/91/426753091.db2.gz HYNAUZOODCDNOM-UHFFFAOYSA-N 2 1 324.432 2.603 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000290377484 426753096 /nfs/dbraw/zinc/75/30/96/426753096.db2.gz HYNAUZOODCDNOM-UHFFFAOYSA-N 2 1 324.432 2.603 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245582140 426754822 /nfs/dbraw/zinc/75/48/22/426754822.db2.gz JBMCAVWAPPRPIA-BZUAXINKSA-N 2 1 320.481 2.691 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@H]1C ZINC000245582140 426754823 /nfs/dbraw/zinc/75/48/23/426754823.db2.gz JBMCAVWAPPRPIA-BZUAXINKSA-N 2 1 320.481 2.691 20 0 DFADMP C[NH+](C)Cc1cc(NC(=O)C2CC[NH+](C)CC2)ccc1Cl ZINC000281744520 426757771 /nfs/dbraw/zinc/75/77/71/426757771.db2.gz SMDHJQCFTKRZHO-UHFFFAOYSA-N 2 1 309.841 2.682 20 0 DFADMP CCn1nc(CN(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000290405992 426758186 /nfs/dbraw/zinc/75/81/86/426758186.db2.gz JSPLKQCPLMLKRE-YOEHRIQHSA-N 2 1 300.450 2.828 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H](O)CC(F)(F)F)C2)CC1 ZINC000188962171 426805509 /nfs/dbraw/zinc/80/55/09/426805509.db2.gz JYABPLGMFMQEGS-HUUCEWRRSA-N 2 1 322.415 2.744 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H](O)CC(F)(F)F)C2)CC1 ZINC000188962171 426805515 /nfs/dbraw/zinc/80/55/15/426805515.db2.gz JYABPLGMFMQEGS-HUUCEWRRSA-N 2 1 322.415 2.744 20 0 DFADMP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274758197 426830771 /nfs/dbraw/zinc/83/07/71/426830771.db2.gz JMEJZJNGOBVADA-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000246721746 426858011 /nfs/dbraw/zinc/85/80/11/426858011.db2.gz LWKLZXLBHCUFQC-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCOC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000274834482 426847305 /nfs/dbraw/zinc/84/73/05/426847305.db2.gz NCLYBMRCIPDLGC-SJLPKXTDSA-N 2 1 318.461 2.830 20 0 DFADMP CCOC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000274834482 426847311 /nfs/dbraw/zinc/84/73/11/426847311.db2.gz NCLYBMRCIPDLGC-SJLPKXTDSA-N 2 1 318.461 2.830 20 0 DFADMP Cc1cccc(CCC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000181202603 426924362 /nfs/dbraw/zinc/92/43/62/426924362.db2.gz OPINAZKKNYSSQT-UHFFFAOYSA-N 2 1 317.521 2.885 20 0 DFADMP C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000267289606 426864274 /nfs/dbraw/zinc/86/42/74/426864274.db2.gz XLYHCHZCHOPJRQ-XHSDSOJGSA-N 2 1 317.477 2.518 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2([S@@](C)=O)CC2)cc1 ZINC000282260764 426865640 /nfs/dbraw/zinc/86/56/40/426865640.db2.gz JZIHLYSZNVMDCG-WHEQGISXSA-N 2 1 317.458 2.742 20 0 DFADMP CN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000275542097 426868304 /nfs/dbraw/zinc/86/83/04/426868304.db2.gz SSLUBDOYXVYOCA-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000275542097 426868310 /nfs/dbraw/zinc/86/83/10/426868310.db2.gz SSLUBDOYXVYOCA-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000275542097 426868315 /nfs/dbraw/zinc/86/83/15/426868315.db2.gz SSLUBDOYXVYOCA-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000275542097 426868319 /nfs/dbraw/zinc/86/83/19/426868319.db2.gz SSLUBDOYXVYOCA-IUODEOHRSA-N 2 1 316.367 2.622 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000246859849 426872766 /nfs/dbraw/zinc/87/27/66/426872766.db2.gz CYWXRAKPIQAFQX-RDJZCZTQSA-N 2 1 304.482 2.748 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000246859849 426872769 /nfs/dbraw/zinc/87/27/69/426872769.db2.gz CYWXRAKPIQAFQX-RDJZCZTQSA-N 2 1 304.482 2.748 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282293561 426874214 /nfs/dbraw/zinc/87/42/14/426874214.db2.gz QQOUOYFKSBSWPC-CQSZACIVSA-N 2 1 318.490 2.970 20 0 DFADMP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@@H](CCO)c1ccccc1 ZINC000267344592 426876648 /nfs/dbraw/zinc/87/66/48/426876648.db2.gz DHRBGYJSYOGLKN-SFHVURJKSA-N 2 1 322.412 2.823 20 0 DFADMP CN(Cc1ccc(-n2ccnc2)nc1)[C@@H](CCO)c1ccccc1 ZINC000267344592 426876653 /nfs/dbraw/zinc/87/66/53/426876653.db2.gz DHRBGYJSYOGLKN-SFHVURJKSA-N 2 1 322.412 2.823 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1SC ZINC000275620551 426880353 /nfs/dbraw/zinc/88/03/53/426880353.db2.gz RNBZSXYFOYOALC-AWEZNQCLSA-N 2 1 317.458 2.966 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCN(c3ccccc3Cl)C2=O)CC[N@H+]1C ZINC000180725659 426881915 /nfs/dbraw/zinc/88/19/15/426881915.db2.gz FNMGJHSXYQNPNJ-VNHYZAJKSA-N 2 1 321.852 2.518 20 0 DFADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](CC)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000246971229 426886906 /nfs/dbraw/zinc/88/69/06/426886906.db2.gz JLGNAWJGALMVGR-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247014981 426891318 /nfs/dbraw/zinc/89/13/18/426891318.db2.gz LTWIQESEVCRGTP-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247014981 426891326 /nfs/dbraw/zinc/89/13/26/426891326.db2.gz LTWIQESEVCRGTP-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247014981 426891334 /nfs/dbraw/zinc/89/13/34/426891334.db2.gz LTWIQESEVCRGTP-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247014981 426891337 /nfs/dbraw/zinc/89/13/37/426891337.db2.gz LTWIQESEVCRGTP-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP C[C@H](O)[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000180860522 426893982 /nfs/dbraw/zinc/89/39/82/426893982.db2.gz SNDOTZHFKIXGND-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H](O)[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000180860522 426893986 /nfs/dbraw/zinc/89/39/86/426893986.db2.gz SNDOTZHFKIXGND-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H](O)[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000180860522 426893989 /nfs/dbraw/zinc/89/39/89/426893989.db2.gz SNDOTZHFKIXGND-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)C2 ZINC000282397560 426902166 /nfs/dbraw/zinc/90/21/66/426902166.db2.gz RLWPLWAPKIEHDT-QFBILLFUSA-N 2 1 315.505 2.844 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000275710862 426902928 /nfs/dbraw/zinc/90/29/28/426902928.db2.gz MCJIDUCRCRHLJV-VQIMIIECSA-N 2 1 319.468 2.641 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275728447 426904637 /nfs/dbraw/zinc/90/46/37/426904637.db2.gz ZOBZMTAIPTUBNA-INIZCTEOSA-N 2 1 321.428 2.729 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000247139854 426906358 /nfs/dbraw/zinc/90/63/58/426906358.db2.gz QTIYVGYNRMSCCF-QKMNUUQDSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000247139854 426906364 /nfs/dbraw/zinc/90/63/64/426906364.db2.gz QTIYVGYNRMSCCF-QKMNUUQDSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000247139854 426906373 /nfs/dbraw/zinc/90/63/73/426906373.db2.gz QTIYVGYNRMSCCF-QKMNUUQDSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139854 426906381 /nfs/dbraw/zinc/90/63/81/426906381.db2.gz QTIYVGYNRMSCCF-QKMNUUQDSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139854 426906387 /nfs/dbraw/zinc/90/63/87/426906387.db2.gz QTIYVGYNRMSCCF-QKMNUUQDSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000305807288 426913657 /nfs/dbraw/zinc/91/36/57/426913657.db2.gz ZPQQXDQNEKCPSQ-CCKFTAQKSA-N 2 1 300.446 2.593 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+]([C@H]2Cc3ccccc3[C@@H]2O)CC1 ZINC000305807288 426913661 /nfs/dbraw/zinc/91/36/61/426913661.db2.gz ZPQQXDQNEKCPSQ-CCKFTAQKSA-N 2 1 300.446 2.593 20 0 DFADMP Cc1ccc(OC[C@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000247513387 426946952 /nfs/dbraw/zinc/94/69/52/426946952.db2.gz MTCXOVKWVWIHHE-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000247513387 426946956 /nfs/dbraw/zinc/94/69/56/426946956.db2.gz MTCXOVKWVWIHHE-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000247513387 426946962 /nfs/dbraw/zinc/94/69/62/426946962.db2.gz MTCXOVKWVWIHHE-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000247513387 426946966 /nfs/dbraw/zinc/94/69/66/426946966.db2.gz MTCXOVKWVWIHHE-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP C[C@H](C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1)C[NH+](C)C ZINC000291674928 426949128 /nfs/dbraw/zinc/94/91/28/426949128.db2.gz GZYIQHDQDFEXIT-MRXNPFEDSA-N 2 1 321.484 2.620 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OC)c(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000316889353 426952209 /nfs/dbraw/zinc/95/22/09/426952209.db2.gz SBSRMLYPBRUWNL-QWHCGFSZSA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)CC[C@H]1[NH3+] ZINC000316889353 426952218 /nfs/dbraw/zinc/95/22/18/426952218.db2.gz SBSRMLYPBRUWNL-QWHCGFSZSA-N 2 1 314.376 2.856 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000317481988 426957417 /nfs/dbraw/zinc/95/74/17/426957417.db2.gz ZAZZMRGMTWZTPB-YCPHGPKFSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000317481988 426957426 /nfs/dbraw/zinc/95/74/26/426957426.db2.gz ZAZZMRGMTWZTPB-YCPHGPKFSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)CC[N@@H+]1C ZINC000181540019 426960308 /nfs/dbraw/zinc/96/03/08/426960308.db2.gz NUPQDMXHMDZHRN-RYUDHWBXSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)CC[N@H+]1C ZINC000181540019 426960311 /nfs/dbraw/zinc/96/03/11/426960311.db2.gz NUPQDMXHMDZHRN-RYUDHWBXSA-N 2 1 317.355 2.552 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(Cc2ncnn2C(C)(C)C)C1 ZINC000283215502 426976282 /nfs/dbraw/zinc/97/62/82/426976282.db2.gz SGXQNCGIZGBDES-AWEZNQCLSA-N 2 1 316.453 2.629 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCCCC2 ZINC000181751843 426979689 /nfs/dbraw/zinc/97/96/89/426979689.db2.gz GCNSPHFGJNGGPH-SJORKVTESA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000275844504 426930460 /nfs/dbraw/zinc/93/04/60/426930460.db2.gz KBACNBULUWMOJQ-XHSDSOJGSA-N 2 1 317.477 2.991 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1CC[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000275844503 426930583 /nfs/dbraw/zinc/93/05/83/426930583.db2.gz KBACNBULUWMOJQ-OWCLPIDISA-N 2 1 317.477 2.991 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)CCCCC1 ZINC000314871851 426936190 /nfs/dbraw/zinc/93/61/90/426936190.db2.gz YLRZTDFVHBASPF-QWHCGFSZSA-N 2 1 308.388 2.950 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268172186 426936386 /nfs/dbraw/zinc/93/63/86/426936386.db2.gz VAWBLUTVVGGUJD-AWEZNQCLSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccccc1OCc1ccccn1)C[NH+](C)C ZINC000291641770 426936595 /nfs/dbraw/zinc/93/65/95/426936595.db2.gz BRCMNQZFNFZNHH-INIZCTEOSA-N 2 1 313.445 2.948 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000337950109 427056770 /nfs/dbraw/zinc/05/67/70/427056770.db2.gz OGAPAJUYHRPYJN-UHFFFAOYSA-N 2 1 301.419 2.619 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000329166437 427058782 /nfs/dbraw/zinc/05/87/82/427058782.db2.gz HZZWUVXBBKZTEU-DYEKYZERSA-N 2 1 303.406 2.800 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000329166437 427058787 /nfs/dbraw/zinc/05/87/87/427058787.db2.gz HZZWUVXBBKZTEU-DYEKYZERSA-N 2 1 303.406 2.800 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000181925816 426995630 /nfs/dbraw/zinc/99/56/30/426995630.db2.gz OHHCTWDUWFQODT-CYBMUJFWSA-N 2 1 301.434 2.922 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[N@@H+]1C ZINC000337839159 426996538 /nfs/dbraw/zinc/99/65/38/426996538.db2.gz YPRBVLPAGIHNOQ-TZMCWYRMSA-N 2 1 304.463 2.721 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[N@H+]1C ZINC000337839159 426996545 /nfs/dbraw/zinc/99/65/45/426996545.db2.gz YPRBVLPAGIHNOQ-TZMCWYRMSA-N 2 1 304.463 2.721 20 0 DFADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248406185 426996932 /nfs/dbraw/zinc/99/69/32/426996932.db2.gz BRGYAFVFNIOCQH-UAFMIMERSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)N1CCC[C@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000248537720 427008658 /nfs/dbraw/zinc/00/86/58/427008658.db2.gz ACDIKZFXLIELPR-BQFCYCMXSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)CCN1C ZINC000190052890 427011299 /nfs/dbraw/zinc/01/12/99/427011299.db2.gz MQJAXCCQFSPXAL-QAPCUYQASA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000190052890 427011304 /nfs/dbraw/zinc/01/13/04/427011304.db2.gz MQJAXCCQFSPXAL-QAPCUYQASA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000190052890 427011310 /nfs/dbraw/zinc/01/13/10/427011310.db2.gz MQJAXCCQFSPXAL-QAPCUYQASA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)CC[NH+]1C ZINC000190052890 427011315 /nfs/dbraw/zinc/01/13/15/427011315.db2.gz MQJAXCCQFSPXAL-QAPCUYQASA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)CC[NH+]1C ZINC000190052890 427011323 /nfs/dbraw/zinc/01/13/23/427011323.db2.gz MQJAXCCQFSPXAL-QAPCUYQASA-N 2 1 302.462 2.969 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616249 427020284 /nfs/dbraw/zinc/02/02/84/427020284.db2.gz ZATOPHKBJRLVEA-VGWMRTNUSA-N 2 1 309.498 2.532 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248616249 427020289 /nfs/dbraw/zinc/02/02/89/427020289.db2.gz ZATOPHKBJRLVEA-VGWMRTNUSA-N 2 1 309.498 2.532 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000337900152 427026258 /nfs/dbraw/zinc/02/62/58/427026258.db2.gz PHYZQBRTNAYZSB-ZHALLVOQSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000337900152 427026262 /nfs/dbraw/zinc/02/62/62/427026262.db2.gz PHYZQBRTNAYZSB-ZHALLVOQSA-N 2 1 312.461 2.914 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000182210654 427027675 /nfs/dbraw/zinc/02/76/75/427027675.db2.gz UDBFQMYLWMBVPZ-IBGZPJMESA-N 2 1 319.468 2.736 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000182210654 427027690 /nfs/dbraw/zinc/02/76/90/427027690.db2.gz UDBFQMYLWMBVPZ-IBGZPJMESA-N 2 1 319.468 2.736 20 0 DFADMP CCC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](CC)C1)[NH+](C)C ZINC000337903489 427030077 /nfs/dbraw/zinc/03/00/77/427030077.db2.gz LAVNVRMKBZHLEY-JKSUJKDBSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)c1 ZINC000248708818 427035526 /nfs/dbraw/zinc/03/55/26/427035526.db2.gz IMYKNRXMWCRKBQ-KFKAGJAMSA-N 2 1 317.477 2.809 20 0 DFADMP O[C@H](C[NH2+][C@H]1CCCc2nc(Cl)ccc21)CN1CCCCC1 ZINC000296001644 427041920 /nfs/dbraw/zinc/04/19/20/427041920.db2.gz OHEJLSNQVMPWIB-HIFRSBDPSA-N 2 1 323.868 2.549 20 0 DFADMP CCc1nc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000296062644 427062819 /nfs/dbraw/zinc/06/28/19/427062819.db2.gz PJCLWUZTDUWGMJ-GDBMZVCRSA-N 2 1 313.449 2.510 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H]1CCc2ccccc2NC1=O ZINC000248913464 427065732 /nfs/dbraw/zinc/06/57/32/427065732.db2.gz YWBPMGLRLUZPBZ-AEFFLSMTSA-N 2 1 324.428 2.609 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H]1CCc2ccccc2NC1=O ZINC000248913464 427065735 /nfs/dbraw/zinc/06/57/35/427065735.db2.gz YWBPMGLRLUZPBZ-AEFFLSMTSA-N 2 1 324.428 2.609 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249033380 427076837 /nfs/dbraw/zinc/07/68/37/427076837.db2.gz SWNQQFWCTOPUPB-GDBMZVCRSA-N 2 1 308.441 2.944 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H]1CCCF ZINC000337991105 427079661 /nfs/dbraw/zinc/07/96/61/427079661.db2.gz WSGFJAYLXZKXIW-ULQDDVLXSA-N 2 1 300.462 2.731 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000249070580 427083812 /nfs/dbraw/zinc/08/38/12/427083812.db2.gz QHELQHLETSKYQJ-PMPSAXMXSA-N 2 1 317.477 2.661 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000337999386 427085007 /nfs/dbraw/zinc/08/50/07/427085007.db2.gz OYZASOAZHVAKLG-AABGKKOBSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000337999386 427085014 /nfs/dbraw/zinc/08/50/14/427085014.db2.gz OYZASOAZHVAKLG-AABGKKOBSA-N 2 1 314.473 2.792 20 0 DFADMP Cc1ncc(C[N@@H+]2CC[C@H](Oc3cccnc3N(C)C)C2)s1 ZINC000296130256 427085543 /nfs/dbraw/zinc/08/55/43/427085543.db2.gz YZNIMZIQQBMXGC-ZDUSSCGKSA-N 2 1 318.446 2.566 20 0 DFADMP Cc1ncc(CN2CC[C@H](Oc3cccnc3N(C)C)C2)s1 ZINC000296130256 427085551 /nfs/dbraw/zinc/08/55/51/427085551.db2.gz YZNIMZIQQBMXGC-ZDUSSCGKSA-N 2 1 318.446 2.566 20 0 DFADMP C[C@H](CNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCC[C@H]1C ZINC000338002924 427088321 /nfs/dbraw/zinc/08/83/21/427088321.db2.gz SSDWUOKPPAZSFT-UUAJXVIYSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@@H+]1CCCC[C@H]1C ZINC000338002924 427088324 /nfs/dbraw/zinc/08/83/24/427088324.db2.gz SSDWUOKPPAZSFT-UUAJXVIYSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C)[N@H+]1CCCC[C@H]1C ZINC000338002924 427088330 /nfs/dbraw/zinc/08/83/30/427088330.db2.gz SSDWUOKPPAZSFT-UUAJXVIYSA-N 2 1 309.498 2.627 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1 ZINC000249192213 427093910 /nfs/dbraw/zinc/09/39/10/427093910.db2.gz OOJJULGTVKSZSY-NIFZNCRKSA-N 2 1 322.415 2.788 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(O)CCC[C@@H](C(F)(F)F)C2)[C@@H](C)C1 ZINC000249173289 427094978 /nfs/dbraw/zinc/09/49/78/427094978.db2.gz CUHUBMIIIGKSTI-XGUBFFRZSA-N 2 1 322.415 2.790 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000283906174 427095348 /nfs/dbraw/zinc/09/53/48/427095348.db2.gz JPARRJJJKHBHDW-NZSAHSFTSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000283906174 427095353 /nfs/dbraw/zinc/09/53/53/427095353.db2.gz JPARRJJJKHBHDW-NZSAHSFTSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000283906174 427095363 /nfs/dbraw/zinc/09/53/63/427095363.db2.gz JPARRJJJKHBHDW-NZSAHSFTSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000283906174 427095370 /nfs/dbraw/zinc/09/53/70/427095370.db2.gz JPARRJJJKHBHDW-NZSAHSFTSA-N 2 1 304.478 2.988 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000283906174 427095376 /nfs/dbraw/zinc/09/53/76/427095376.db2.gz JPARRJJJKHBHDW-NZSAHSFTSA-N 2 1 304.478 2.988 20 0 DFADMP C(C[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC000249290636 427103960 /nfs/dbraw/zinc/10/39/60/427103960.db2.gz AEXMUNUFIGGSGJ-IRXDYDNUSA-N 2 1 312.523 2.849 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000268778608 427111927 /nfs/dbraw/zinc/11/19/27/427111927.db2.gz CAILNMIZRSTHOD-CQSZACIVSA-N 2 1 317.433 2.820 20 0 DFADMP COCc1cc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC ZINC000268794090 427119382 /nfs/dbraw/zinc/11/93/82/427119382.db2.gz HERNCOGQGVQAEE-CYBMUJFWSA-N 2 1 303.406 2.697 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268795659 427119973 /nfs/dbraw/zinc/11/99/73/427119973.db2.gz FXQYGSJIIWVFPX-QGZVFWFLSA-N 2 1 312.461 2.568 20 0 DFADMP Cc1cccnc1C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000190481131 427122389 /nfs/dbraw/zinc/12/23/89/427122389.db2.gz ZFPUASKZXXPANT-SFHVURJKSA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cccnc1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190481131 427122397 /nfs/dbraw/zinc/12/23/97/427122397.db2.gz ZFPUASKZXXPANT-SFHVURJKSA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cccnc1CN1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190481131 427122402 /nfs/dbraw/zinc/12/24/02/427122402.db2.gz ZFPUASKZXXPANT-SFHVURJKSA-N 2 1 310.445 2.739 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H](C)c2cc(F)cc(F)c2)CC1 ZINC000296268300 427130024 /nfs/dbraw/zinc/13/00/24/427130024.db2.gz DOBIACMGIPRTPS-CYBMUJFWSA-N 2 1 312.404 2.769 20 0 DFADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCCO2 ZINC000268826770 427131982 /nfs/dbraw/zinc/13/19/82/427131982.db2.gz JLKHAXOLACOLLG-FUHWJXTLSA-N 2 1 318.461 2.563 20 0 DFADMP C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000296275909 427132057 /nfs/dbraw/zinc/13/20/57/427132057.db2.gz DWMTXIZEOYWWLU-DAYGRLMNSA-N 2 1 320.502 2.748 20 0 DFADMP C[C@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000296275909 427132063 /nfs/dbraw/zinc/13/20/63/427132063.db2.gz DWMTXIZEOYWWLU-DAYGRLMNSA-N 2 1 320.502 2.748 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)Cc2cccc(Cl)c2)CC1 ZINC000268825853 427132118 /nfs/dbraw/zinc/13/21/18/427132118.db2.gz NIHBILBAFSMLIC-AWEZNQCLSA-N 2 1 310.869 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@@H](C)O)[C@@H](C)C1 ZINC000249711707 427137388 /nfs/dbraw/zinc/13/73/88/427137388.db2.gz YORGDJFQHGSRJE-HNJRGHQBSA-N 2 1 318.505 2.936 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000277191617 427137606 /nfs/dbraw/zinc/13/76/06/427137606.db2.gz IQAYOVZOXSSZFG-SJLPKXTDSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)OCCCO1 ZINC000277191617 427137614 /nfs/dbraw/zinc/13/76/14/427137614.db2.gz IQAYOVZOXSSZFG-SJLPKXTDSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000284179269 427149667 /nfs/dbraw/zinc/14/96/67/427149667.db2.gz XVLPFBQGIDOVQM-HNNXBMFYSA-N 2 1 314.433 2.576 20 0 DFADMP C[C@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000182812497 427150868 /nfs/dbraw/zinc/15/08/68/427150868.db2.gz FSSIMIGJXHNJRY-SPLOXXLWSA-N 2 1 305.447 2.704 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1)C(C)C ZINC000249958816 427152425 /nfs/dbraw/zinc/15/24/25/427152425.db2.gz JMGJGUQYLCQUPW-CRAIPNDOSA-N 2 1 317.477 2.645 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]CCCNC(=O)OC(C)(C)C ZINC000227403580 271235821 /nfs/dbraw/zinc/23/58/21/271235821.db2.gz PVFOVDNZHLCHGH-OAHLLOKOSA-N 2 1 313.486 2.755 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000252692420 271267562 /nfs/dbraw/zinc/26/75/62/271267562.db2.gz LVKRIKHFMKWDBV-YTQUADARSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000252692420 271267565 /nfs/dbraw/zinc/26/75/65/271267565.db2.gz LVKRIKHFMKWDBV-YTQUADARSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@H](C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000252692420 271267566 /nfs/dbraw/zinc/26/75/66/271267566.db2.gz LVKRIKHFMKWDBV-YTQUADARSA-N 2 1 300.446 2.669 20 0 DFADMP CC[C@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[NH+](CC)CC ZINC000265431222 271281943 /nfs/dbraw/zinc/28/19/43/271281943.db2.gz MZHRXFULGJFOJS-GOSISDBHSA-N 2 1 319.493 2.875 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(-n2ccnc2)cc1 ZINC000279017201 271321303 /nfs/dbraw/zinc/32/13/03/271321303.db2.gz UJBQZMNPQJPZGC-JKSUJKDBSA-N 2 1 321.428 2.982 20 0 DFADMP O=C1[C@H]([NH+]2CCC(c3[nH]cc[nH+]3)CC2)CCCN1c1ccccc1 ZINC000329814250 427171441 /nfs/dbraw/zinc/17/14/41/427171441.db2.gz DAEATXNWABYBAV-QGZVFWFLSA-N 2 1 324.428 2.785 20 0 DFADMP CCc1noc(C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000333527541 271376120 /nfs/dbraw/zinc/37/61/20/271376120.db2.gz IISSUEJYODBAII-SVFSVNPNSA-N 2 1 318.465 2.873 20 0 DFADMP C[C@H](CCc1ccccc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000182962063 427176403 /nfs/dbraw/zinc/17/64/03/427176403.db2.gz VVZRTAPZTUGVCV-GOSISDBHSA-N 2 1 303.494 2.577 20 0 DFADMP CN(CC1CCCCC1)C(=O)CN1CCC(c2ncc[nH]2)CC1 ZINC000329853666 427177714 /nfs/dbraw/zinc/17/77/14/427177714.db2.gz VSZQRRIXEWZZFH-UHFFFAOYSA-N 2 1 318.465 2.628 20 0 DFADMP CS[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000296448466 427182133 /nfs/dbraw/zinc/18/21/33/427182133.db2.gz WJYMNHNUJSDCAN-SFHVURJKSA-N 2 1 319.518 2.636 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192620 427219277 /nfs/dbraw/zinc/21/92/77/427219277.db2.gz NHPLMEHOGVAICF-YESZJQIVSA-N 2 1 323.525 2.876 20 0 DFADMP c1ccc(C[C@H](N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)nc1 ZINC000338211728 427194677 /nfs/dbraw/zinc/19/46/77/427194677.db2.gz JINMYVHYTXBXHN-ZCNNSNEGSA-N 2 1 322.456 2.977 20 0 DFADMP c1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cccnc2)nc1 ZINC000338211728 427194681 /nfs/dbraw/zinc/19/46/81/427194681.db2.gz JINMYVHYTXBXHN-ZCNNSNEGSA-N 2 1 322.456 2.977 20 0 DFADMP c1ccc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2cccnc2)nc1 ZINC000338211728 427194684 /nfs/dbraw/zinc/19/46/84/427194684.db2.gz JINMYVHYTXBXHN-ZCNNSNEGSA-N 2 1 322.456 2.977 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCC1 ZINC000292894204 427205601 /nfs/dbraw/zinc/20/56/01/427205601.db2.gz ZABPZQFLLREPNW-MSOLQXFVSA-N 2 1 302.462 2.964 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)o1 ZINC000190953529 427212634 /nfs/dbraw/zinc/21/26/34/427212634.db2.gz MKQGTXOVLSPQDD-JTQLQIEISA-N 2 1 312.211 2.973 20 0 DFADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277468881 427213915 /nfs/dbraw/zinc/21/39/15/427213915.db2.gz LVNJPVRGPCUFIL-SJORKVTESA-N 2 1 320.477 2.804 20 0 DFADMP C[C@H](CCc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277468881 427213925 /nfs/dbraw/zinc/21/39/25/427213925.db2.gz LVNJPVRGPCUFIL-SJORKVTESA-N 2 1 320.477 2.804 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[C@@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000296730428 427229572 /nfs/dbraw/zinc/22/95/72/427229572.db2.gz IOXJSTYNTWGEAU-MOPGFXCFSA-N 2 1 311.429 2.707 20 0 DFADMP CC(C)Cn1cc(C[N@H+]2CC[C@@H](CNc3ccccn3)C2)cn1 ZINC000183234120 427230426 /nfs/dbraw/zinc/23/04/26/427230426.db2.gz JUXYSPJHRGTOAY-INIZCTEOSA-N 2 1 313.449 2.868 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000285502113 427253388 /nfs/dbraw/zinc/25/33/88/427253388.db2.gz AGUTUTAFSNKFDT-LSDHHAIUSA-N 2 1 324.432 2.759 20 0 DFADMP c1cc(C[N@H+](CC2CC[NH2+]CC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000262137852 427352387 /nfs/dbraw/zinc/35/23/87/427352387.db2.gz DPONFKSSBFDZBT-KRWDZBQOSA-N 3 1 319.518 2.692 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744912 427326429 /nfs/dbraw/zinc/32/64/29/427326429.db2.gz RIZZBIQRGBBLIU-GOEBONIOSA-N 2 1 320.477 2.875 20 0 DFADMP CCN(Cc1nccn1CC)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183753788 427333909 /nfs/dbraw/zinc/33/39/09/427333909.db2.gz JOBWTXYASNGWOG-GOSISDBHSA-N 2 1 312.461 2.999 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccccc1-n1ccnn1 ZINC000285778160 427335811 /nfs/dbraw/zinc/33/58/11/427335811.db2.gz UAEUCZCGWPNYAN-YXJHDRRASA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccccc1-n1ccnn1 ZINC000285778160 427335817 /nfs/dbraw/zinc/33/58/17/427335817.db2.gz UAEUCZCGWPNYAN-YXJHDRRASA-N 2 1 311.433 2.545 20 0 DFADMP CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)C[C@H]2C)cn1 ZINC000191397012 427342127 /nfs/dbraw/zinc/34/21/27/427342127.db2.gz QICOXXFDTMHWBX-WBVHZDCISA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cn1 ZINC000191397012 427342132 /nfs/dbraw/zinc/34/21/32/427342132.db2.gz QICOXXFDTMHWBX-WBVHZDCISA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cn1 ZINC000191397012 427342136 /nfs/dbraw/zinc/34/21/36/427342136.db2.gz QICOXXFDTMHWBX-WBVHZDCISA-N 2 1 304.482 2.700 20 0 DFADMP C[NH+]1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293494356 427343228 /nfs/dbraw/zinc/34/32/28/427343228.db2.gz SDEJQHRDHBVVFR-KBXCAEBGSA-N 2 1 306.425 2.977 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC[C@@H]2CC[NH2+]C2)c1 ZINC000261906497 427344226 /nfs/dbraw/zinc/34/42/26/427344226.db2.gz VVCOKJJVKMNLMG-MRXNPFEDSA-N 2 1 317.477 2.533 20 0 DFADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261985753 427347024 /nfs/dbraw/zinc/34/70/24/427347024.db2.gz SDCCASYUSPGZNO-DMRKSPOLSA-N 2 1 312.523 2.797 20 0 DFADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000262052764 427349536 /nfs/dbraw/zinc/34/95/36/427349536.db2.gz ZVTODQMFEBPQQT-QZTJIDSGSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000296989991 427296424 /nfs/dbraw/zinc/29/64/24/427296424.db2.gz ZLYWHSVUPFJOBX-PDWMJMLSSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000296989991 427296428 /nfs/dbraw/zinc/29/64/28/427296428.db2.gz ZLYWHSVUPFJOBX-PDWMJMLSSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000296989991 427296434 /nfs/dbraw/zinc/29/64/34/427296434.db2.gz ZLYWHSVUPFJOBX-PDWMJMLSSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000296989991 427296440 /nfs/dbraw/zinc/29/64/40/427296440.db2.gz ZLYWHSVUPFJOBX-PDWMJMLSSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000296989991 427296445 /nfs/dbraw/zinc/29/64/45/427296445.db2.gz ZLYWHSVUPFJOBX-PDWMJMLSSA-N 2 1 302.462 2.708 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(Cl)nc2)CC1 ZINC000191530252 427372698 /nfs/dbraw/zinc/37/26/98/427372698.db2.gz OBKWUFAASDUAKQ-UHFFFAOYSA-N 2 1 324.900 2.583 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCOC3(C)C)c2)CCO1 ZINC000293613329 427381532 /nfs/dbraw/zinc/38/15/32/427381532.db2.gz GRKPRHUSDTXSSF-YJBOKZPZSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCOC3(C)C)c2)CCO1 ZINC000293613329 427381540 /nfs/dbraw/zinc/38/15/40/427381540.db2.gz GRKPRHUSDTXSSF-YJBOKZPZSA-N 2 1 318.461 2.564 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCc2ccnn2C)CC1)CC1CC1 ZINC000338566162 427382239 /nfs/dbraw/zinc/38/22/39/427382239.db2.gz FSMIKZCRKCUWQE-UHFFFAOYSA-N 2 1 318.509 2.797 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1)C(C)C ZINC000262973317 427386897 /nfs/dbraw/zinc/38/68/97/427386897.db2.gz XVBMIXOCBTUVJY-MAUKXSAKSA-N 2 1 317.477 2.787 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)cc1)C(C)C ZINC000262973318 427387437 /nfs/dbraw/zinc/38/74/37/427387437.db2.gz XVBMIXOCBTUVJY-QAPCUYQASA-N 2 1 317.477 2.787 20 0 DFADMP CCn1nccc1CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338573263 427389372 /nfs/dbraw/zinc/38/93/72/427389372.db2.gz UFBILZKXCUUKSI-HZPDHXFCSA-N 2 1 304.482 2.688 20 0 DFADMP O[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000293636275 427391115 /nfs/dbraw/zinc/39/11/15/427391115.db2.gz XFVRFKSZLFVFKZ-LJQANCHMSA-N 2 1 320.452 2.679 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ncccc2F)CC1 ZINC000278050285 427392979 /nfs/dbraw/zinc/39/29/79/427392979.db2.gz DEIVSDYRFWAJEQ-UHFFFAOYSA-N 2 1 318.396 2.659 20 0 DFADMP CO[C@@H](C)[C@H](C)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000191655423 427397761 /nfs/dbraw/zinc/39/77/61/427397761.db2.gz KYBJVUJHGOXVDX-FQQAFBJJSA-N 2 1 302.462 2.910 20 0 DFADMP C[N@H+]1CCC[C@@]2(CCN(Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC000293704047 427411176 /nfs/dbraw/zinc/41/11/76/427411176.db2.gz RWAKFRRAIHSDJG-LJQANCHMSA-N 2 1 310.445 2.994 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC000293704047 427411195 /nfs/dbraw/zinc/41/11/95/427411195.db2.gz RWAKFRRAIHSDJG-LJQANCHMSA-N 2 1 310.445 2.994 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccccc3)C2)C1 ZINC000293704047 427411201 /nfs/dbraw/zinc/41/12/01/427411201.db2.gz RWAKFRRAIHSDJG-LJQANCHMSA-N 2 1 310.445 2.994 20 0 DFADMP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000293711887 427412521 /nfs/dbraw/zinc/41/25/21/427412521.db2.gz MWMLCVWTXVBKQC-HUUCEWRRSA-N 2 1 313.367 2.859 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC000297568897 427413958 /nfs/dbraw/zinc/41/39/58/427413958.db2.gz CRDDMKMEQWDGSA-HNNXBMFYSA-N 2 1 324.896 2.907 20 0 DFADMP C[C@@H](O)C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000297646293 427417508 /nfs/dbraw/zinc/41/75/08/427417508.db2.gz MZQCTOXEQRIXRH-NVXWUHKLSA-N 2 1 302.462 2.758 20 0 DFADMP CCN(C)c1ccc(CNC[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000191452294 427354028 /nfs/dbraw/zinc/35/40/28/427354028.db2.gz FGRAIPVYVYPZNN-GOSISDBHSA-N 2 1 318.509 2.995 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000191452294 427354035 /nfs/dbraw/zinc/35/40/35/427354035.db2.gz FGRAIPVYVYPZNN-GOSISDBHSA-N 2 1 318.509 2.995 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000191452294 427354043 /nfs/dbraw/zinc/35/40/43/427354043.db2.gz FGRAIPVYVYPZNN-GOSISDBHSA-N 2 1 318.509 2.995 20 0 DFADMP COc1ccccc1O[C@@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297643626 427417924 /nfs/dbraw/zinc/41/79/24/427417924.db2.gz MTPDOQMXGASRNX-AWEZNQCLSA-N 2 1 304.434 2.679 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C(F)F)cc3)C2)CC1 ZINC000183942252 427361070 /nfs/dbraw/zinc/36/10/70/427361070.db2.gz CSUXZZRIPWSEJL-KRWDZBQOSA-N 2 1 323.431 2.836 20 0 DFADMP COc1cc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc(OC)c1 ZINC000293575962 427368026 /nfs/dbraw/zinc/36/80/26/427368026.db2.gz HIOOEOZQJZRLDV-SFHVURJKSA-N 2 1 304.434 2.622 20 0 DFADMP CCN(Cc1ccn(C)n1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000271206113 427451059 /nfs/dbraw/zinc/45/10/59/427451059.db2.gz ZUNHDBBKAROPEN-SFHVURJKSA-N 2 1 312.461 2.764 20 0 DFADMP C[C@@H](CCNCc1cn2cccnc2n1)[N@@H+](C)Cc1ccccc1 ZINC000297805987 427459421 /nfs/dbraw/zinc/45/94/21/427459421.db2.gz XTUDGGJOVQRCAJ-INIZCTEOSA-N 2 1 323.444 2.730 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCn2cccn2)CC1 ZINC000340516032 271730886 /nfs/dbraw/zinc/73/08/86/271730886.db2.gz AYFXXYVVJLENHR-UHFFFAOYSA-N 2 1 312.461 2.916 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc2NC1=O ZINC000192058447 427470134 /nfs/dbraw/zinc/47/01/34/427470134.db2.gz YWBPMGLRLUZPBZ-FUHWJXTLSA-N 2 1 324.428 2.609 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H]1CCc2ccccc2NC1=O ZINC000192058447 427470142 /nfs/dbraw/zinc/47/01/42/427470142.db2.gz YWBPMGLRLUZPBZ-FUHWJXTLSA-N 2 1 324.428 2.609 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000293872096 427470602 /nfs/dbraw/zinc/47/06/02/427470602.db2.gz YGCPONLMJIQDKU-IQZDNPOKSA-N 2 1 300.446 2.664 20 0 DFADMP Cc1nonc1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271284944 427483077 /nfs/dbraw/zinc/48/30/77/427483077.db2.gz AYTPAWGZXMVZKS-UHFFFAOYSA-N 2 1 315.421 2.512 20 0 DFADMP Cc1nonc1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000271284944 427483085 /nfs/dbraw/zinc/48/30/85/427483085.db2.gz AYTPAWGZXMVZKS-UHFFFAOYSA-N 2 1 315.421 2.512 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338780727 427484106 /nfs/dbraw/zinc/48/41/06/427484106.db2.gz AAKOTQJMVYSWCL-SXLOBPIMSA-N 2 1 315.505 2.796 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000192123292 427486253 /nfs/dbraw/zinc/48/62/53/427486253.db2.gz TXVWVDRALUEXFB-HZPDHXFCSA-N 2 1 319.493 2.908 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)C[S@](C)=O)cc1 ZINC000184298323 427432116 /nfs/dbraw/zinc/43/21/16/427432116.db2.gz UQBCGUSRRXCJKM-BHVCSQLQSA-N 2 1 305.447 2.598 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000191839836 427435372 /nfs/dbraw/zinc/43/53/72/427435372.db2.gz RIXQPXWCGMPQHE-UHFFFAOYSA-N 2 1 322.468 2.927 20 0 DFADMP c1c[nH]c([C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc2)n1 ZINC000278896541 427492827 /nfs/dbraw/zinc/49/28/27/427492827.db2.gz FHJIBPFXQCRAIT-RHSMWYFYSA-N 2 1 307.401 2.548 20 0 DFADMP COc1ccc(C(=O)CCN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000286411950 427518919 /nfs/dbraw/zinc/51/89/19/427518919.db2.gz LXPCAHNFPQKHMA-SJLPKXTDSA-N 2 1 316.445 2.684 20 0 DFADMP COc1ccc(C(=O)CC[N@@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000286411950 427518925 /nfs/dbraw/zinc/51/89/25/427518925.db2.gz LXPCAHNFPQKHMA-SJLPKXTDSA-N 2 1 316.445 2.684 20 0 DFADMP COc1ccc(C(=O)CC[N@H+]2CC[C@@H]3[C@H](CCCN3C)C2)cc1 ZINC000286411950 427518933 /nfs/dbraw/zinc/51/89/33/427518933.db2.gz LXPCAHNFPQKHMA-SJLPKXTDSA-N 2 1 316.445 2.684 20 0 DFADMP CC[N@H+]1CCCN(c2cc[nH+]c3cc(OC)c(OC)cc32)CC1 ZINC000298095138 427519920 /nfs/dbraw/zinc/51/99/20/427519920.db2.gz AAHBDRSFAUXPQZ-UHFFFAOYSA-N 2 1 315.417 2.784 20 0 DFADMP C[C@@H](O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000279062393 427543831 /nfs/dbraw/zinc/54/38/31/427543831.db2.gz KZTJKSZOCQADPN-OWYHZJEWSA-N 2 1 302.462 2.933 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3C[NH+]([C@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456370 427544455 /nfs/dbraw/zinc/54/44/55/427544455.db2.gz VXPDXTPHRFXALH-CEXWTWQISA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H]3C[NH+]([C@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456370 427544462 /nfs/dbraw/zinc/54/44/62/427544462.db2.gz VXPDXTPHRFXALH-CEXWTWQISA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@@H+]([C@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456370 427544470 /nfs/dbraw/zinc/54/44/70/427544470.db2.gz VXPDXTPHRFXALH-CEXWTWQISA-N 2 1 300.446 2.762 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+]([C@H]4CCOC4)CC[C@H]32)cc1 ZINC000271456370 427544471 /nfs/dbraw/zinc/54/44/71/427544471.db2.gz VXPDXTPHRFXALH-CEXWTWQISA-N 2 1 300.446 2.762 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271465516 427550152 /nfs/dbraw/zinc/55/01/52/427550152.db2.gz ZLBAEFPYIMPHMG-MRXNPFEDSA-N 2 1 309.417 2.706 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1Cn1cnc2ccccc21 ZINC000271465516 427550158 /nfs/dbraw/zinc/55/01/58/427550158.db2.gz ZLBAEFPYIMPHMG-MRXNPFEDSA-N 2 1 309.417 2.706 20 0 DFADMP Fc1ccc(N2CC[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000298259328 427550942 /nfs/dbraw/zinc/55/09/42/427550942.db2.gz FJXMEPZGBCCRBQ-OAHLLOKOSA-N 2 1 317.452 2.868 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271465515 427551100 /nfs/dbraw/zinc/55/11/00/427551100.db2.gz ZLBAEFPYIMPHMG-INIZCTEOSA-N 2 1 309.417 2.706 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271465515 427551107 /nfs/dbraw/zinc/55/11/07/427551107.db2.gz ZLBAEFPYIMPHMG-INIZCTEOSA-N 2 1 309.417 2.706 20 0 DFADMP CCOc1cc(C[NH2+]CCn2cc[nH+]c2C)cc(Cl)c1O ZINC000298463544 427619140 /nfs/dbraw/zinc/61/91/40/427619140.db2.gz OOOVUHNVZSVWNW-UHFFFAOYSA-N 2 1 309.797 2.739 20 0 DFADMP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000192517290 427557561 /nfs/dbraw/zinc/55/75/61/427557561.db2.gz KJYWTVKDBWNFSX-ZOBUZTSGSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@H]1COCC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000192517290 427557567 /nfs/dbraw/zinc/55/75/67/427557567.db2.gz KJYWTVKDBWNFSX-ZOBUZTSGSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271503702 427563655 /nfs/dbraw/zinc/56/36/55/427563655.db2.gz MKZOXEXZTIWABS-BEFAXECRSA-N 2 1 320.452 2.990 20 0 DFADMP CCCn1cc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cn1 ZINC000192571374 427564509 /nfs/dbraw/zinc/56/45/09/427564509.db2.gz LMRFEDAIOVMXOX-UHFFFAOYSA-N 2 1 313.449 2.709 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccnn2C)c1 ZINC000338937608 427569920 /nfs/dbraw/zinc/56/99/20/427569920.db2.gz TUFCFFNSPOAKDY-INIZCTEOSA-N 2 1 312.461 2.779 20 0 DFADMP c1cn(Cc2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000298348273 427580905 /nfs/dbraw/zinc/58/09/05/427580905.db2.gz JOSLBRIUMUBYJB-UHFFFAOYSA-N 2 1 310.445 2.648 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000332342571 427583535 /nfs/dbraw/zinc/58/35/35/427583535.db2.gz REKCOUXXETWRRN-QLFBSQMISA-N 2 1 306.454 2.761 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000287408632 427601776 /nfs/dbraw/zinc/60/17/76/427601776.db2.gz RIHLFEMZNWGQSG-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000287408632 427601784 /nfs/dbraw/zinc/60/17/84/427601784.db2.gz RIHLFEMZNWGQSG-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000287408632 427601792 /nfs/dbraw/zinc/60/17/92/427601792.db2.gz RIHLFEMZNWGQSG-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCN1Cc1ccccc1 ZINC000287408632 427601799 /nfs/dbraw/zinc/60/17/99/427601799.db2.gz RIHLFEMZNWGQSG-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP CC(C)Oc1ccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192873238 427628121 /nfs/dbraw/zinc/62/81/21/427628121.db2.gz JRYJTEBUEXXEAR-PHSGOXPASA-N 2 1 318.461 2.722 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000185337842 427637463 /nfs/dbraw/zinc/63/74/63/427637463.db2.gz VLDLYAAWAPAYCT-MRXNPFEDSA-N 2 1 309.498 2.666 20 0 DFADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935517 427637953 /nfs/dbraw/zinc/63/79/53/427637953.db2.gz MAKLZMNCGDXANJ-SFHVURJKSA-N 2 1 324.472 2.759 20 0 DFADMP Cc1c(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000272183549 427665582 /nfs/dbraw/zinc/66/55/82/427665582.db2.gz KRAMTENQFKGFRN-CRAIPNDOSA-N 2 1 312.461 2.729 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)cs1 ZINC000193097199 427665646 /nfs/dbraw/zinc/66/56/46/427665646.db2.gz HTFMNGMMGAYAJM-ZDUSSCGKSA-N 2 1 302.871 2.728 20 0 DFADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccnc1 ZINC000185366656 427642578 /nfs/dbraw/zinc/64/25/78/427642578.db2.gz FNHBPIQQHYLAGS-SFHVURJKSA-N 2 1 304.482 2.540 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000185424217 427650510 /nfs/dbraw/zinc/65/05/10/427650510.db2.gz BRMKEDDFMMICGS-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CCN(CC)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000298584960 427654585 /nfs/dbraw/zinc/65/45/85/427654585.db2.gz YBBWSYGLGBAKDL-UHFFFAOYSA-N 2 1 302.466 2.644 20 0 DFADMP Cc1c(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000272183553 427664602 /nfs/dbraw/zinc/66/46/02/427664602.db2.gz KRAMTENQFKGFRN-QAPCUYQASA-N 2 1 312.461 2.729 20 0 DFADMP Cc1[nH+]ccn1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000342549328 272022656 /nfs/dbraw/zinc/02/26/56/272022656.db2.gz RVCRTRPKVSEZGG-UHFFFAOYSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1[nH+]ccn1CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000342549328 272022657 /nfs/dbraw/zinc/02/26/57/272022657.db2.gz RVCRTRPKVSEZGG-UHFFFAOYSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1nccn1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000342602689 272029867 /nfs/dbraw/zinc/02/98/67/272029867.db2.gz ARCRPXXGZOSJGZ-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342624300 272031805 /nfs/dbraw/zinc/03/18/05/272031805.db2.gz IGVISWCMYWXMNW-ZWKOTPCHSA-N 2 1 320.477 2.790 20 0 DFADMP Clc1csc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c1 ZINC000193114008 427668666 /nfs/dbraw/zinc/66/86/66/427668666.db2.gz NITRJSPYSVROLP-GFCCVEGCSA-N 2 1 314.882 2.992 20 0 DFADMP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000342797305 272055894 /nfs/dbraw/zinc/05/58/94/272055894.db2.gz QVWDSHRIPUSRRG-SJPCQFCGSA-N 2 1 321.509 2.582 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000342955006 272070611 /nfs/dbraw/zinc/07/06/11/272070611.db2.gz ZXHGYHRTVXOLLV-UHFFFAOYSA-N 2 1 323.444 2.762 20 0 DFADMP Cc1c[nH+]ccc1NC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC000342992405 272073949 /nfs/dbraw/zinc/07/39/49/272073949.db2.gz VLWMEAIFAHRCBH-KGLIPLIRSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1c[nH+]ccc1NC[C@@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC000342992405 272073952 /nfs/dbraw/zinc/07/39/52/272073952.db2.gz VLWMEAIFAHRCBH-KGLIPLIRSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)n1 ZINC000343244055 272103225 /nfs/dbraw/zinc/10/32/25/272103225.db2.gz HLGIVANVBQMCTN-ARFHVFGLSA-N 2 1 323.506 2.521 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Cc1cccs1 ZINC000343245974 272103396 /nfs/dbraw/zinc/10/33/96/272103396.db2.gz CFYISDKRGMFORO-SVGFKBNWSA-N 2 1 308.491 2.673 20 0 DFADMP CCO[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C1CCCC1 ZINC000343266794 272108891 /nfs/dbraw/zinc/10/88/91/272108891.db2.gz HBGXKQRHVVDRDV-AKHDSKFASA-N 2 1 324.509 2.719 20 0 DFADMP CCO[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C1CCCC1 ZINC000343266796 272108982 /nfs/dbraw/zinc/10/89/82/272108982.db2.gz HBGXKQRHVVDRDV-WJFTUGDTSA-N 2 1 324.509 2.719 20 0 DFADMP CO[C@H]1C[C@H](CN(C)c2cc(C)[nH+]c3ccc(F)cc32)[N@@H+](C)C1 ZINC000343300269 272115154 /nfs/dbraw/zinc/11/51/54/272115154.db2.gz DXFFVQHLQIFZQA-CABCVRRESA-N 2 1 317.408 2.838 20 0 DFADMP CCCn1c(C)nnc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000343615442 272184518 /nfs/dbraw/zinc/18/45/18/272184518.db2.gz BBDSFAJHWVCSHU-UHFFFAOYSA-N 2 1 307.486 2.550 20 0 DFADMP C[C@H]([NH2+]CC1=CCCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218237 427676077 /nfs/dbraw/zinc/67/60/77/427676077.db2.gz RMJYHPVYMQDUOI-QFBILLFUSA-N 2 1 300.446 2.833 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000298682260 427676201 /nfs/dbraw/zinc/67/62/01/427676201.db2.gz GVPMNWOVSVGJSA-CYBMUJFWSA-N 2 1 324.852 2.933 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000298682260 427676208 /nfs/dbraw/zinc/67/62/08/427676208.db2.gz GVPMNWOVSVGJSA-CYBMUJFWSA-N 2 1 324.852 2.933 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000272222370 427676276 /nfs/dbraw/zinc/67/62/76/427676276.db2.gz NVQHQTGTZHUAGT-OAHLLOKOSA-N 2 1 312.461 2.763 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]1CN(C)CC[N@@H+]1C ZINC000272222370 427676280 /nfs/dbraw/zinc/67/62/80/427676280.db2.gz NVQHQTGTZHUAGT-OAHLLOKOSA-N 2 1 312.461 2.763 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@@H]1CN(C)CC[N@H+]1C ZINC000272222370 427676286 /nfs/dbraw/zinc/67/62/86/427676286.db2.gz NVQHQTGTZHUAGT-OAHLLOKOSA-N 2 1 312.461 2.763 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@H]1C ZINC000343676418 272198843 /nfs/dbraw/zinc/19/88/43/272198843.db2.gz TXERJIWOIMJLDG-MSOLQXFVSA-N 2 1 323.525 2.974 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCCC[N@H+]2C[C@@H]1C ZINC000343676421 272199205 /nfs/dbraw/zinc/19/92/05/272199205.db2.gz TXERJIWOIMJLDG-ZWKOTPCHSA-N 2 1 323.525 2.974 20 0 DFADMP CCc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000343693493 272202647 /nfs/dbraw/zinc/20/26/47/272202647.db2.gz BWXHOWMOLKJKJL-KRWDZBQOSA-N 2 1 315.505 2.849 20 0 DFADMP Cc1cccc(C)c1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343763615 272213978 /nfs/dbraw/zinc/21/39/78/272213978.db2.gz LRFUZZMBFRZFTR-SFHVURJKSA-N 2 1 315.505 2.904 20 0 DFADMP Cc1cccc(C)c1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343763612 272214243 /nfs/dbraw/zinc/21/42/43/272214243.db2.gz LRFUZZMBFRZFTR-GOSISDBHSA-N 2 1 315.505 2.904 20 0 DFADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000343803767 272222470 /nfs/dbraw/zinc/22/24/70/272222470.db2.gz NGOMOQSOIVSSDD-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc(OC)c1O ZINC000298706475 427680132 /nfs/dbraw/zinc/68/01/32/427680132.db2.gz RUKRCPRTZLHNTJ-UHFFFAOYSA-N 2 1 322.449 2.762 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000343944302 272241718 /nfs/dbraw/zinc/24/17/18/272241718.db2.gz VYHNHTRAXMCMSV-ULQDDVLXSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@H]1C[C@H](OCC)C12CCOCC2 ZINC000343944302 272241716 /nfs/dbraw/zinc/24/17/16/272241716.db2.gz VYHNHTRAXMCMSV-ULQDDVLXSA-N 2 1 312.498 2.671 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2c(C)oc3ccccc32)CC1 ZINC000344141318 272272721 /nfs/dbraw/zinc/27/27/21/272272721.db2.gz WYYMLQLHYYZEGM-UHFFFAOYSA-N 2 1 316.445 2.984 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(OC)cc1 ZINC000344151646 272275595 /nfs/dbraw/zinc/27/55/95/272275595.db2.gz SYGLJYVQSOZNNE-UHFFFAOYSA-N 2 1 319.493 2.545 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@@H](C)[C@H]1OC ZINC000344156570 272275975 /nfs/dbraw/zinc/27/59/75/272275975.db2.gz AGUFULNLYPVYPZ-BZUAXINKSA-N 2 1 312.498 2.527 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171402 272280028 /nfs/dbraw/zinc/28/00/28/272280028.db2.gz RVTYITIDCQMCGX-OALUTQOASA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171402 272280029 /nfs/dbraw/zinc/28/00/29/272280029.db2.gz RVTYITIDCQMCGX-OALUTQOASA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171402 272280030 /nfs/dbraw/zinc/28/00/30/272280030.db2.gz RVTYITIDCQMCGX-OALUTQOASA-N 2 1 320.452 2.537 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000344278129 272303128 /nfs/dbraw/zinc/30/31/28/272303128.db2.gz XBYXBEBOHFIPCO-JFRXWTBNSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000344278129 272303131 /nfs/dbraw/zinc/30/31/31/272303131.db2.gz XBYXBEBOHFIPCO-JFRXWTBNSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CC[C@@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000344278129 272303133 /nfs/dbraw/zinc/30/31/33/272303133.db2.gz XBYXBEBOHFIPCO-JFRXWTBNSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000193313856 427683668 /nfs/dbraw/zinc/68/36/68/427683668.db2.gz DEHNEPPIGZXATQ-SOLBZPMBSA-N 2 1 317.477 2.625 20 0 DFADMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344554332 272337418 /nfs/dbraw/zinc/33/74/18/272337418.db2.gz WBBLGXLFLHBXBT-FQEVSTJZSA-N 2 1 310.441 2.722 20 0 DFADMP Cc1cccc(C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344554332 272337420 /nfs/dbraw/zinc/33/74/20/272337420.db2.gz WBBLGXLFLHBXBT-FQEVSTJZSA-N 2 1 310.441 2.722 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000344719594 272359827 /nfs/dbraw/zinc/35/98/27/272359827.db2.gz YMHDFVGOSHJPIE-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344719594 272359830 /nfs/dbraw/zinc/35/98/30/272359830.db2.gz YMHDFVGOSHJPIE-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000344719594 272359832 /nfs/dbraw/zinc/35/98/32/272359832.db2.gz YMHDFVGOSHJPIE-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000344775288 272367126 /nfs/dbraw/zinc/36/71/26/272367126.db2.gz WAQLHRYMFHYBRR-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000344775288 272367129 /nfs/dbraw/zinc/36/71/29/272367129.db2.gz WAQLHRYMFHYBRR-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000344775288 272367131 /nfs/dbraw/zinc/36/71/31/272367131.db2.gz WAQLHRYMFHYBRR-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000344779584 272367406 /nfs/dbraw/zinc/36/74/06/272367406.db2.gz YVEQOXNOOXNTHQ-DLBZAZTESA-N 2 1 319.497 2.533 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000287759594 427686631 /nfs/dbraw/zinc/68/66/31/427686631.db2.gz ZRUQDNBOLIUETI-ZWKOTPCHSA-N 2 1 318.461 2.818 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](CCOc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000193653613 427706112 /nfs/dbraw/zinc/70/61/12/427706112.db2.gz NXUXLQZEYHPXSZ-TXEJJXNPSA-N 2 1 315.244 2.866 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000193653613 427706118 /nfs/dbraw/zinc/70/61/18/427706118.db2.gz NXUXLQZEYHPXSZ-TXEJJXNPSA-N 2 1 315.244 2.866 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000193653613 427706121 /nfs/dbraw/zinc/70/61/21/427706121.db2.gz NXUXLQZEYHPXSZ-TXEJJXNPSA-N 2 1 315.244 2.866 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](CCOc3cc(Cl)cc(Cl)c3)C[C@@H]2C1 ZINC000193653613 427706126 /nfs/dbraw/zinc/70/61/26/427706126.db2.gz NXUXLQZEYHPXSZ-TXEJJXNPSA-N 2 1 315.244 2.866 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)O ZINC000339543685 427790745 /nfs/dbraw/zinc/79/07/45/427790745.db2.gz QQAPVSWQAZDTIO-SFHVURJKSA-N 2 1 304.478 2.833 20 0 DFADMP C[C@]1([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCOC1 ZINC000336862041 427765170 /nfs/dbraw/zinc/76/51/70/427765170.db2.gz GVAPPFCAYSNWOQ-IBGZPJMESA-N 2 1 302.462 2.852 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000336864991 427766206 /nfs/dbraw/zinc/76/62/06/427766206.db2.gz HPVWPYDCPFMNKH-NVXWUHKLSA-N 2 1 309.498 2.665 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)C2CC2)cc1 ZINC000299626517 427766834 /nfs/dbraw/zinc/76/68/34/427766834.db2.gz FUSQHTNUBPGQBY-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1 ZINC000299626517 427766837 /nfs/dbraw/zinc/76/68/37/427766837.db2.gz FUSQHTNUBPGQBY-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1 ZINC000299626517 427766839 /nfs/dbraw/zinc/76/68/39/427766839.db2.gz FUSQHTNUBPGQBY-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP CCN(C)c1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000339405537 427768812 /nfs/dbraw/zinc/76/88/12/427768812.db2.gz BFNBCTLDIHTVQR-UHFFFAOYSA-N 2 1 312.461 2.889 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cn1 ZINC000339405537 427768814 /nfs/dbraw/zinc/76/88/14/427768814.db2.gz BFNBCTLDIHTVQR-UHFFFAOYSA-N 2 1 312.461 2.889 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339433328 427773541 /nfs/dbraw/zinc/77/35/41/427773541.db2.gz OAFQHMOWGXWGJD-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000339433328 427773543 /nfs/dbraw/zinc/77/35/43/427773543.db2.gz OAFQHMOWGXWGJD-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1ccc(NC(=O)CN2CC[C@]3(C2)CCC[N@H+](C)C3)cc1C ZINC000339433321 427773912 /nfs/dbraw/zinc/77/39/12/427773912.db2.gz NUMBYZBNEQMPAG-LJQANCHMSA-N 2 1 315.461 2.660 20 0 DFADMP COc1ccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000301094218 427774929 /nfs/dbraw/zinc/77/49/29/427774929.db2.gz UYQMXNAJRUDORZ-INIZCTEOSA-N 2 1 300.406 2.817 20 0 DFADMP C[C@H](C(=O)N1CCC[NH+](CC2CCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000339439575 427776196 /nfs/dbraw/zinc/77/61/96/427776196.db2.gz XAKCBIWQGXEAPY-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N1CCC[N@H+](CC2CCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000339439575 427776197 /nfs/dbraw/zinc/77/61/97/427776197.db2.gz XAKCBIWQGXEAPY-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000339439575 427776200 /nfs/dbraw/zinc/77/62/00/427776200.db2.gz XAKCBIWQGXEAPY-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](CNC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000336716840 427750109 /nfs/dbraw/zinc/75/01/09/427750109.db2.gz PPZLGUZVNCJSNY-GOSISDBHSA-N 2 1 313.489 2.725 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@]3(O)CCC[C@H]3C)sc2C1 ZINC000339555591 427792210 /nfs/dbraw/zinc/79/22/10/427792210.db2.gz OHLQMNXLMXMKBF-DYVFJYSZSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(O)CCC[C@H]3C)sc2C1 ZINC000339555591 427792212 /nfs/dbraw/zinc/79/22/12/427792212.db2.gz OHLQMNXLMXMKBF-DYVFJYSZSA-N 2 1 323.506 2.550 20 0 DFADMP CC1CC[NH+](C[C@@H](O)CNc2cc[nH+]c3ccsc32)CC1 ZINC000301573254 427806671 /nfs/dbraw/zinc/80/66/71/427806671.db2.gz YZEOUPZRZXKAJP-ZDUSSCGKSA-N 2 1 305.447 2.801 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000339682221 427811592 /nfs/dbraw/zinc/81/15/92/427811592.db2.gz QQRCQUDKFNAXDM-HNNXBMFYSA-N 2 1 324.490 2.617 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCCC[NH+]2CCC(C)CC2)n1 ZINC000301799256 427825620 /nfs/dbraw/zinc/82/56/20/427825620.db2.gz BMGJREGSDWPAQW-UHFFFAOYSA-N 2 1 314.437 2.505 20 0 DFADMP CCC[C@H](C)[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000337288019 427831867 /nfs/dbraw/zinc/83/18/67/427831867.db2.gz AMFWCOJNUNIKJH-ULQDDVLXSA-N 2 1 312.498 2.765 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000337311220 427837208 /nfs/dbraw/zinc/83/72/08/427837208.db2.gz CAUHMPZNMVVWJW-MSOLQXFVSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000337311220 427837214 /nfs/dbraw/zinc/83/72/14/427837214.db2.gz CAUHMPZNMVVWJW-MSOLQXFVSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000355662244 427840571 /nfs/dbraw/zinc/84/05/71/427840571.db2.gz YYMMKHGYNSCHMJ-MAUKXSAKSA-N 2 1 317.477 2.668 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)COC(C)C)[C@H](C)C1 ZINC000337328687 427845925 /nfs/dbraw/zinc/84/59/25/427845925.db2.gz FBKNYFUWGJSNFQ-IKGGRYGDSA-N 2 1 300.487 2.527 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000340436642 427846778 /nfs/dbraw/zinc/84/67/78/427846778.db2.gz SPJHFXDSVJZOPF-YPMHNXCESA-N 2 1 301.356 2.573 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000340436631 427847295 /nfs/dbraw/zinc/84/72/95/427847295.db2.gz SPJHFXDSVJZOPF-DGCLKSJQSA-N 2 1 301.356 2.573 20 0 DFADMP Cc1nn(C)c2ncc(C[N@H+](CCC[NH3+])Cc3ccccc3)cc12 ZINC000359459278 427860931 /nfs/dbraw/zinc/86/09/31/427860931.db2.gz NSUQCWDHKFLNCN-UHFFFAOYSA-N 2 1 323.444 2.628 20 0 DFADMP Cc1nn(C)c2ncc(C[N@@H+](CCC[NH3+])Cc3ccccc3)cc12 ZINC000359459278 427860936 /nfs/dbraw/zinc/86/09/36/427860936.db2.gz NSUQCWDHKFLNCN-UHFFFAOYSA-N 2 1 323.444 2.628 20 0 DFADMP Cn1cnc2cc(C[N@@H+](CCC[NH3+])Cc3ccccc3)ccc21 ZINC000359457977 427860978 /nfs/dbraw/zinc/86/09/78/427860978.db2.gz JSUABNHNMFWYHP-UHFFFAOYSA-N 2 1 308.429 2.924 20 0 DFADMP CCCCOc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000359473690 427866268 /nfs/dbraw/zinc/86/62/68/427866268.db2.gz NTDDRIRUFBVYMC-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(CO)CCCC3)sc2C1 ZINC000349799703 427867449 /nfs/dbraw/zinc/86/74/49/427867449.db2.gz IDUCOEHDYSWXQG-UHFFFAOYSA-N 2 1 323.506 2.552 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(CO)CCCC3)sc2C1 ZINC000349799703 427867458 /nfs/dbraw/zinc/86/74/58/427867458.db2.gz IDUCOEHDYSWXQG-UHFFFAOYSA-N 2 1 323.506 2.552 20 0 DFADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccccc1)Cc1ccccc1 ZINC000303988169 427909731 /nfs/dbraw/zinc/90/97/31/427909731.db2.gz MQRRHQUINGRNCP-UHFFFAOYSA-N 2 1 311.429 2.866 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(N)=[NH2+])[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265043 427921061 /nfs/dbraw/zinc/92/10/61/427921061.db2.gz VBCAVCDSFPUEQS-DGCLKSJQSA-N 2 1 314.355 2.571 20 0 DFADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223305 427957935 /nfs/dbraw/zinc/95/79/35/427957935.db2.gz QLNDKMYAUNTWAY-MJGOQNOKSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223305 427957941 /nfs/dbraw/zinc/95/79/41/427957941.db2.gz QLNDKMYAUNTWAY-MJGOQNOKSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223305 427957945 /nfs/dbraw/zinc/95/79/45/427957945.db2.gz QLNDKMYAUNTWAY-MJGOQNOKSA-N 2 1 301.478 2.896 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H](C)C(C)(C)OC)CCCC2)CC1 ZINC000340229250 427959871 /nfs/dbraw/zinc/95/98/71/427959871.db2.gz CSSMHZDUHVUAEO-OAHLLOKOSA-N 2 1 312.498 2.813 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)[C@@H]1Oc1ccccc1 ZINC000359660902 427959823 /nfs/dbraw/zinc/95/98/23/427959823.db2.gz MMEWTQYUGRGFCM-LULLPPNCSA-N 2 1 318.461 2.543 20 0 DFADMP CCC[C@H](C)CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000337567133 427962256 /nfs/dbraw/zinc/96/22/56/427962256.db2.gz ALINYKFLXQPRMK-DLBZAZTESA-N 2 1 311.514 2.687 20 0 DFADMP CO[C@]1(C[NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CCOC1 ZINC000359662467 427962363 /nfs/dbraw/zinc/96/23/63/427962363.db2.gz HHFRXHZNFBHUIY-IBGZPJMESA-N 2 1 320.477 2.540 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000340259695 427967150 /nfs/dbraw/zinc/96/71/50/427967150.db2.gz KRWUSZIYMCVQSN-IPMKNSEASA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)C[C@@H]1c1ccccc1 ZINC000340259695 427967155 /nfs/dbraw/zinc/96/71/55/427967155.db2.gz KRWUSZIYMCVQSN-IPMKNSEASA-N 2 1 318.461 2.607 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C[C@H]1c1ccccc1 ZINC000340259330 427967973 /nfs/dbraw/zinc/96/79/73/427967973.db2.gz PXZOLHJDJVYESZ-LULLPPNCSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C[C@H]1c1ccccc1 ZINC000340259330 427967977 /nfs/dbraw/zinc/96/79/77/427967977.db2.gz PXZOLHJDJVYESZ-LULLPPNCSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340263439 427969758 /nfs/dbraw/zinc/96/97/58/427969758.db2.gz VXKBFCBSVJTXGQ-BEKAIBRUSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340263439 427969760 /nfs/dbraw/zinc/96/97/60/427969760.db2.gz VXKBFCBSVJTXGQ-BEKAIBRUSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340263439 427969763 /nfs/dbraw/zinc/96/97/63/427969763.db2.gz VXKBFCBSVJTXGQ-BEKAIBRUSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000341049527 427979431 /nfs/dbraw/zinc/97/94/31/427979431.db2.gz CRJQZGJKUAIUDX-JFIYKMOQSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc1 ZINC000340310916 427980914 /nfs/dbraw/zinc/98/09/14/427980914.db2.gz BESIJWXBBUIAFP-MSOLQXFVSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc1 ZINC000340310916 427980920 /nfs/dbraw/zinc/98/09/20/427980920.db2.gz BESIJWXBBUIAFP-MSOLQXFVSA-N 2 1 310.445 2.753 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000341049779 427981740 /nfs/dbraw/zinc/98/17/40/427981740.db2.gz CRJQZGJKUAIUDX-SOLBZPMBSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000341049779 427981746 /nfs/dbraw/zinc/98/17/46/427981746.db2.gz CRJQZGJKUAIUDX-SOLBZPMBSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1c[nH+]ccc1NCC[N@@H+]1CCc2c(Cl)cccc2C1 ZINC000359716191 427985568 /nfs/dbraw/zinc/98/55/68/427985568.db2.gz MHUJKNAZDMBGGP-UHFFFAOYSA-N 2 1 301.821 2.936 20 0 DFADMP Cc1c[nH+]ccc1NCC[N@H+]1CCc2c(Cl)cccc2C1 ZINC000359716191 427985575 /nfs/dbraw/zinc/98/55/75/427985575.db2.gz MHUJKNAZDMBGGP-UHFFFAOYSA-N 2 1 301.821 2.936 20 0 DFADMP CCOc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OCC ZINC000359594435 427927829 /nfs/dbraw/zinc/92/78/29/427927829.db2.gz UIAJLFZXFUUNNU-NVXWUHKLSA-N 2 1 320.477 2.956 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347177838 272740900 /nfs/dbraw/zinc/74/09/00/272740900.db2.gz RQJKGDVXAHSTOX-XYPWUTKMSA-N 2 1 304.482 2.970 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347177838 272740903 /nfs/dbraw/zinc/74/09/03/272740903.db2.gz RQJKGDVXAHSTOX-XYPWUTKMSA-N 2 1 304.482 2.970 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)[C@@H]1Oc1ccccc1 ZINC000359635272 427948206 /nfs/dbraw/zinc/94/82/06/427948206.db2.gz NVJSVFWWCUEBRN-FDMITFGQSA-N 2 1 318.461 2.684 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@@H]1Oc1ccccc1 ZINC000359635272 427948213 /nfs/dbraw/zinc/94/82/13/427948213.db2.gz NVJSVFWWCUEBRN-FDMITFGQSA-N 2 1 318.461 2.684 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCOC2(C)C)cc1F ZINC000340208469 427953333 /nfs/dbraw/zinc/95/33/33/427953333.db2.gz JRZFUDTWTALDDX-INIZCTEOSA-N 2 1 303.381 2.977 20 0 DFADMP CC(C)(O)C[N@H+]1CCCN(c2ccnc3ccsc32)CC1 ZINC000376940623 428028429 /nfs/dbraw/zinc/02/84/29/428028429.db2.gz IWDUIVMMTCPRCW-UHFFFAOYSA-N 2 1 305.447 2.579 20 0 DFADMP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376967625 428032201 /nfs/dbraw/zinc/03/22/01/428032201.db2.gz MJRDRSKKDWQSIU-AWEZNQCLSA-N 2 1 322.412 2.831 20 0 DFADMP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376967625 428032205 /nfs/dbraw/zinc/03/22/05/428032205.db2.gz MJRDRSKKDWQSIU-AWEZNQCLSA-N 2 1 322.412 2.831 20 0 DFADMP Cc1cccc2ncc(C[N@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)n21 ZINC000376969720 428033138 /nfs/dbraw/zinc/03/31/38/428033138.db2.gz XAZVNERVLDSALH-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1cccc2ncc(C[N@@H+](C)C[C@@H]3CCc4[nH+]ccn4C3)n21 ZINC000376969720 428033142 /nfs/dbraw/zinc/03/31/42/428033142.db2.gz XAZVNERVLDSALH-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2CC[C@H]1CO ZINC000377010483 428041057 /nfs/dbraw/zinc/04/10/57/428041057.db2.gz AQHJHRQMFBNJDB-HKUYNNGSSA-N 2 1 313.445 2.857 20 0 DFADMP CSC1(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000356166984 428051823 /nfs/dbraw/zinc/05/18/23/428051823.db2.gz OFMMRESHYKJJGD-UHFFFAOYSA-N 2 1 320.502 2.894 20 0 DFADMP C[N@@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000369559490 427997602 /nfs/dbraw/zinc/99/76/02/427997602.db2.gz AXWITTWLIIDKPC-BXUZGUMPSA-N 2 1 313.430 3.124 20 0 DFADMP C[N@H+]1CC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000369559490 427997605 /nfs/dbraw/zinc/99/76/05/427997605.db2.gz AXWITTWLIIDKPC-BXUZGUMPSA-N 2 1 313.430 3.124 20 0 DFADMP COc1cc2[nH+]ccc(N[C@H]3CCC[N@@H+](C)[C@@H]3C)c2cc1OC ZINC000413233384 427998849 /nfs/dbraw/zinc/99/88/49/427998849.db2.gz DFIJDQHLSFGCLA-OCCSQVGLSA-N 2 1 315.417 2.569 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000346049439 427999805 /nfs/dbraw/zinc/99/98/05/427999805.db2.gz NHLLAMUNBMAHNQ-INIZCTEOSA-N 2 1 310.445 2.662 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000359776134 428014702 /nfs/dbraw/zinc/01/47/02/428014702.db2.gz VQADGZMMRFRDSX-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000359776134 428014706 /nfs/dbraw/zinc/01/47/06/428014706.db2.gz VQADGZMMRFRDSX-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000359776134 428014708 /nfs/dbraw/zinc/01/47/08/428014708.db2.gz VQADGZMMRFRDSX-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000369834749 428073733 /nfs/dbraw/zinc/07/37/33/428073733.db2.gz LGFYCBJEVNMUTR-FJBKBRRZSA-N 2 1 318.465 2.875 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346219214 428077670 /nfs/dbraw/zinc/07/76/70/428077670.db2.gz RPSVBNHCRUWOTD-UHFFFAOYSA-N 2 1 304.463 2.896 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC(C)(C)[C@@H]2[C@@H]2CCCO2)s1 ZINC000356232676 428082021 /nfs/dbraw/zinc/08/20/21/428082021.db2.gz AGAQXEQEOIKRLJ-ZFWWWQNUSA-N 2 1 309.479 2.594 20 0 DFADMP Cn1cc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)cn1 ZINC000377196089 428082008 /nfs/dbraw/zinc/08/20/08/428082008.db2.gz GTHNDSKLOJIHCX-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP C1C[N@H+]2CCCC[C@@H]2[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000359940922 428085683 /nfs/dbraw/zinc/08/56/83/428085683.db2.gz IZOZHGRKQZQVEM-RBUKOAKNSA-N 2 1 305.510 3.000 20 0 DFADMP CCC[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+](C)C ZINC000341538944 428096370 /nfs/dbraw/zinc/09/63/70/428096370.db2.gz YAMTZSYFIVNNHB-GOSISDBHSA-N 2 1 317.477 2.992 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000346269092 428101303 /nfs/dbraw/zinc/10/13/03/428101303.db2.gz BSWKYLDCAVLXCD-UHFFFAOYSA-N 2 1 318.396 2.680 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](CC(=O)Nc1ccc(F)cc1)C(C)C ZINC000346269092 428101304 /nfs/dbraw/zinc/10/13/04/428101304.db2.gz BSWKYLDCAVLXCD-UHFFFAOYSA-N 2 1 318.396 2.680 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(c2ccccn2)CC1 ZINC000359984322 428102969 /nfs/dbraw/zinc/10/29/69/428102969.db2.gz AGIITWSGGCXNEO-QGZVFWFLSA-N 2 1 316.493 2.905 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859266 428112482 /nfs/dbraw/zinc/11/24/82/428112482.db2.gz GEDKBYKBFLLWJK-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP Cc1ccncc1CN(C)C[C@@H]1CC[N@H+](C)[C@H]1c1cccnc1 ZINC000377359840 428112568 /nfs/dbraw/zinc/11/25/68/428112568.db2.gz VZCHJLWIHCEQPA-HKUYNNGSSA-N 2 1 310.445 2.910 20 0 DFADMP Cc1ccncc1CN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000377359840 428112574 /nfs/dbraw/zinc/11/25/74/428112574.db2.gz VZCHJLWIHCEQPA-HKUYNNGSSA-N 2 1 310.445 2.910 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[NH+](C)C ZINC000413717082 428117419 /nfs/dbraw/zinc/11/74/19/428117419.db2.gz VLBCSKFDAWYRAB-ZWKOTPCHSA-N 2 1 319.493 2.599 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cnn(Cc2ccccc2)c1 ZINC000360015138 428118248 /nfs/dbraw/zinc/11/82/48/428118248.db2.gz KOJXQZVDFHUGTK-MAUKXSAKSA-N 2 1 321.428 2.794 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCCO2 ZINC000360020247 428120053 /nfs/dbraw/zinc/12/00/53/428120053.db2.gz UINDMYDJDDDKQL-HIFRSBDPSA-N 2 1 313.401 2.710 20 0 DFADMP CC1=C[C@@H](C)C[C@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000356321544 428125591 /nfs/dbraw/zinc/12/55/91/428125591.db2.gz QJASRKWRORFTIO-AEFFLSMTSA-N 2 1 307.526 2.937 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346338559 428132018 /nfs/dbraw/zinc/13/20/18/428132018.db2.gz RDGYAAUTRVNHOM-FHWLQOOXSA-N 2 1 316.489 2.847 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346338559 428132029 /nfs/dbraw/zinc/13/20/29/428132029.db2.gz RDGYAAUTRVNHOM-FHWLQOOXSA-N 2 1 316.489 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346338559 428132033 /nfs/dbraw/zinc/13/20/33/428132033.db2.gz RDGYAAUTRVNHOM-FHWLQOOXSA-N 2 1 316.489 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000346338559 428132039 /nfs/dbraw/zinc/13/20/39/428132039.db2.gz RDGYAAUTRVNHOM-FHWLQOOXSA-N 2 1 316.489 2.847 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000346342477 428134391 /nfs/dbraw/zinc/13/43/91/428134391.db2.gz RVHMZAYSXDUZKI-CVEARBPZSA-N 2 1 320.481 2.728 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000346342477 428134394 /nfs/dbraw/zinc/13/43/94/428134394.db2.gz RVHMZAYSXDUZKI-CVEARBPZSA-N 2 1 320.481 2.728 20 0 DFADMP COc1cc2c(c(C[N@@H+]3CCCC[C@H]3CC[NH3+])c1)O[C@H](C)C2 ZINC000352533954 428139009 /nfs/dbraw/zinc/13/90/09/428139009.db2.gz BPEZGWUZPXPFQI-CJNGLKHVSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCCC[C@H]3CC[NH3+])c1)O[C@H](C)C2 ZINC000352533954 428139014 /nfs/dbraw/zinc/13/90/14/428139014.db2.gz BPEZGWUZPXPFQI-CJNGLKHVSA-N 2 1 304.434 2.722 20 0 DFADMP Cc1ccc2ncc(C[N@@H+](CCC[NH3+])CC3CCCC3)n2c1 ZINC000352545157 428144818 /nfs/dbraw/zinc/14/48/18/428144818.db2.gz GSVYHISLVFXNMS-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@H]3CC4(CC4)C(=O)O3)C2)CC1 ZINC000370203060 428158482 /nfs/dbraw/zinc/15/84/82/428158482.db2.gz DNTQOMUORWCSGB-IAGOWNOFSA-N 2 1 320.477 2.526 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@H]3CC4(CC4)C(=O)O3)C2)CC1 ZINC000370203060 428158486 /nfs/dbraw/zinc/15/84/86/428158486.db2.gz DNTQOMUORWCSGB-IAGOWNOFSA-N 2 1 320.477 2.526 20 0 DFADMP C[C@H](O)c1ncc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000377549237 428154658 /nfs/dbraw/zinc/15/46/58/428154658.db2.gz KHHJETZCLOSMHX-ZENOOKHLSA-N 2 1 321.490 2.645 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(O)(Cc2ccccc2F)CC1 ZINC000370221115 428160546 /nfs/dbraw/zinc/16/05/46/428160546.db2.gz HLNDZZRSAPLQPW-UHFFFAOYSA-N 2 1 322.468 2.927 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000346410088 428161081 /nfs/dbraw/zinc/16/10/81/428161081.db2.gz IYBNJZPFWQFLPG-HOTGVXAUSA-N 2 1 320.481 2.585 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000346410088 428161087 /nfs/dbraw/zinc/16/10/87/428161087.db2.gz IYBNJZPFWQFLPG-HOTGVXAUSA-N 2 1 320.481 2.585 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)ccc1F ZINC000377619696 428172498 /nfs/dbraw/zinc/17/24/98/428172498.db2.gz DOHGMSPWPBZTAM-GOSISDBHSA-N 2 1 319.468 2.736 20 0 DFADMP Cc1cc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)ccc1F ZINC000377619696 428172504 /nfs/dbraw/zinc/17/25/04/428172504.db2.gz DOHGMSPWPBZTAM-GOSISDBHSA-N 2 1 319.468 2.736 20 0 DFADMP Cc1cccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1C ZINC000377623449 428174446 /nfs/dbraw/zinc/17/44/46/428174446.db2.gz JLFZACOOCCJGGC-IBGZPJMESA-N 2 1 315.505 2.763 20 0 DFADMP C[N@@H+](C/C=C/c1ccccc1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625587 428175546 /nfs/dbraw/zinc/17/55/46/428175546.db2.gz KYKXHVBKDPMLRD-AQDCRGGLSA-N 2 1 313.489 2.800 20 0 DFADMP Cc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000377628940 428175891 /nfs/dbraw/zinc/17/58/91/428175891.db2.gz OYHFCHFSJPSFJK-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccncc3)C2)nc(C)[nH+]1 ZINC000377629013 428176108 /nfs/dbraw/zinc/17/61/08/428176108.db2.gz CKPTZVIKSHXSBX-RHSMWYFYSA-N 2 1 311.433 2.808 20 0 DFADMP CCc1nc(NCc2cccc(C[NH+]3CCCC3)c2)cc(C)[nH+]1 ZINC000341745456 428179750 /nfs/dbraw/zinc/17/97/50/428179750.db2.gz SRHTUZJZRAVYGO-UHFFFAOYSA-N 2 1 310.445 3.555 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(C)c1 ZINC000414123111 428211029 /nfs/dbraw/zinc/21/10/29/428211029.db2.gz OFUAEYOAMVAWQG-KRWDZBQOSA-N 2 1 319.493 2.682 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740056 428213744 /nfs/dbraw/zinc/21/37/44/428213744.db2.gz BSRGTLIAPISRDO-HOTGVXAUSA-N 2 1 319.497 2.788 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740056 428213749 /nfs/dbraw/zinc/21/37/49/428213749.db2.gz BSRGTLIAPISRDO-HOTGVXAUSA-N 2 1 319.497 2.788 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC[N@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000414130571 428214160 /nfs/dbraw/zinc/21/41/60/428214160.db2.gz WRZMNNQUEAXYFY-HRCADAONSA-N 2 1 305.466 2.874 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC[N@@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000414130571 428214163 /nfs/dbraw/zinc/21/41/63/428214163.db2.gz WRZMNNQUEAXYFY-HRCADAONSA-N 2 1 305.466 2.874 20 0 DFADMP Cn1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000356524867 428218354 /nfs/dbraw/zinc/21/83/54/428218354.db2.gz NDIZOHCABLFWDF-WOJBJXKFSA-N 2 1 309.457 2.979 20 0 DFADMP Cn1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)c1 ZINC000356524867 428218360 /nfs/dbraw/zinc/21/83/60/428218360.db2.gz NDIZOHCABLFWDF-WOJBJXKFSA-N 2 1 309.457 2.979 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CCC(OC)CC2)[C@@H](C)C1 ZINC000414180215 428226694 /nfs/dbraw/zinc/22/66/94/428226694.db2.gz LLENMVKYZBATIC-BFWZDYSYSA-N 2 1 312.498 2.671 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCCc2ccc(O)cc2)s1 ZINC000352757126 428233669 /nfs/dbraw/zinc/23/36/69/428233669.db2.gz DWJLDXTUCPAOHM-UHFFFAOYSA-N 2 1 305.447 2.633 20 0 DFADMP COCC[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000414211711 428236267 /nfs/dbraw/zinc/23/62/67/428236267.db2.gz VWXVEWNHCXWQDA-KRWDZBQOSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1ncc(C[NH+](C)C)s1 ZINC000352766321 428237890 /nfs/dbraw/zinc/23/78/90/428237890.db2.gz WDDXBZXWDSBJCJ-QLFBSQMISA-N 2 1 324.538 2.661 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ncc(C[NH+](C)C)s1 ZINC000352766321 428237895 /nfs/dbraw/zinc/23/78/95/428237895.db2.gz WDDXBZXWDSBJCJ-QLFBSQMISA-N 2 1 324.538 2.661 20 0 DFADMP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](Cc2cccnc2)CC1 ZINC000346607809 428238157 /nfs/dbraw/zinc/23/81/57/428238157.db2.gz RSFCFUMKWWBNTL-UHFFFAOYSA-N 2 1 304.397 2.952 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000341877344 428238868 /nfs/dbraw/zinc/23/88/68/428238868.db2.gz NIDWXTXFLFNGQA-NSHDSACASA-N 2 1 307.369 2.699 20 0 DFADMP C[N@@H+]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2[C@@H]1c1ccccc1 ZINC000377830702 428240144 /nfs/dbraw/zinc/24/01/44/428240144.db2.gz GUYHZXFIIPRVBS-PVAVHDDUSA-N 2 1 319.412 2.697 20 0 DFADMP C[N@H+]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@@H]2[C@@H]1c1ccccc1 ZINC000377830702 428240148 /nfs/dbraw/zinc/24/01/48/428240148.db2.gz GUYHZXFIIPRVBS-PVAVHDDUSA-N 2 1 319.412 2.697 20 0 DFADMP C[S@@](=O)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000360169772 428189774 /nfs/dbraw/zinc/18/97/74/428189774.db2.gz VABAZSVGUAJNAG-OAQYLSRUSA-N 2 1 308.491 2.636 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000370395915 428200787 /nfs/dbraw/zinc/20/07/87/428200787.db2.gz ROVGQPXNFBUAPX-LSDHHAIUSA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000370395915 428200796 /nfs/dbraw/zinc/20/07/96/428200796.db2.gz ROVGQPXNFBUAPX-LSDHHAIUSA-N 2 1 314.408 2.932 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)s1 ZINC000377700556 428201493 /nfs/dbraw/zinc/20/14/93/428201493.db2.gz RYQZUKIEUPLHIT-SJPCQFCGSA-N 2 1 319.518 2.799 20 0 DFADMP Cc1ccc(NC(=O)[C@H]2CCCc3[nH+]ccn32)c(C[NH+](C)C)c1 ZINC000377924972 428263532 /nfs/dbraw/zinc/26/35/32/428263532.db2.gz QAEXTXQGQVSKHS-MRXNPFEDSA-N 2 1 312.417 2.769 20 0 DFADMP CC[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370651486 428264371 /nfs/dbraw/zinc/26/43/71/428264371.db2.gz QIEUVCSAQAGUEP-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[C@H](C)C1 ZINC000414344227 428264877 /nfs/dbraw/zinc/26/48/77/428264877.db2.gz KIVZSCKUVKEFLM-HFTRVMKXSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2ncc(CN(C)C)s2)C1 ZINC000352825603 428266581 /nfs/dbraw/zinc/26/65/81/428266581.db2.gz SRTLNMKARQMOFA-OAHLLOKOSA-N 2 1 324.538 2.806 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000346685530 428273304 /nfs/dbraw/zinc/27/33/04/428273304.db2.gz SQADSWGTMCEZEE-OCCSQVGLSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000346685530 428273309 /nfs/dbraw/zinc/27/33/09/428273309.db2.gz SQADSWGTMCEZEE-OCCSQVGLSA-N 2 1 304.825 2.695 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1ccccc1 ZINC000346685459 428273321 /nfs/dbraw/zinc/27/33/21/428273321.db2.gz SIHILQBOAQDZPO-KRWDZBQOSA-N 2 1 300.450 2.892 20 0 DFADMP CCC(CC)(CC)C[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000346684452 428273349 /nfs/dbraw/zinc/27/33/49/428273349.db2.gz PUXHTIQGJIYJHW-IAGOWNOFSA-N 2 1 323.525 2.783 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693734 428276219 /nfs/dbraw/zinc/27/62/19/428276219.db2.gz PFHZNTMXSMCIIT-WDEREUQCSA-N 2 1 306.360 2.524 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693734 428276222 /nfs/dbraw/zinc/27/62/22/428276222.db2.gz PFHZNTMXSMCIIT-WDEREUQCSA-N 2 1 306.360 2.524 20 0 DFADMP CCn1cc(CC[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)cn1 ZINC000370744006 428288619 /nfs/dbraw/zinc/28/86/19/428288619.db2.gz ZUIIMVOHUIZIKL-QGZVFWFLSA-N 2 1 316.493 2.642 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1ccc(OC2CCCC2)nc1 ZINC000360416316 428289232 /nfs/dbraw/zinc/28/92/32/428289232.db2.gz GFLGSJVVUBXSOK-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000360416316 428289241 /nfs/dbraw/zinc/28/92/41/428289241.db2.gz GFLGSJVVUBXSOK-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000360416316 428289248 /nfs/dbraw/zinc/28/92/48/428289248.db2.gz GFLGSJVVUBXSOK-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC2CCCC2)nc1 ZINC000360416316 428289251 /nfs/dbraw/zinc/28/92/51/428289251.db2.gz GFLGSJVVUBXSOK-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000377839125 428243217 /nfs/dbraw/zinc/24/32/17/428243217.db2.gz GJQQAOGBBKSQRN-FVQBIDKESA-N 2 1 321.490 2.911 20 0 DFADMP C[NH+](C)Cc1cnc(CNCC[N@H+](C)C2CCCCC2)s1 ZINC000352777987 428243455 /nfs/dbraw/zinc/24/34/55/428243455.db2.gz DRUDADCANSAZOQ-UHFFFAOYSA-N 2 1 310.511 2.559 20 0 DFADMP C[NH+](C)Cc1cnc(CNCC[N@@H+](C)C2CCCCC2)s1 ZINC000352777987 428243461 /nfs/dbraw/zinc/24/34/61/428243461.db2.gz DRUDADCANSAZOQ-UHFFFAOYSA-N 2 1 310.511 2.559 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000360313698 428247084 /nfs/dbraw/zinc/24/70/84/428247084.db2.gz MIXKVVPEXMUVHS-QGZVFWFLSA-N 2 1 306.425 2.728 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000360313698 428247087 /nfs/dbraw/zinc/24/70/87/428247087.db2.gz MIXKVVPEXMUVHS-QGZVFWFLSA-N 2 1 306.425 2.728 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c(C(C)(C)C)n1 ZINC000377860437 428248802 /nfs/dbraw/zinc/24/88/02/428248802.db2.gz MLMYLVSOQYLKNI-AWEZNQCLSA-N 2 1 315.465 2.609 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c(C(C)(C)C)n1 ZINC000377860437 428248804 /nfs/dbraw/zinc/24/88/04/428248804.db2.gz MLMYLVSOQYLKNI-AWEZNQCLSA-N 2 1 315.465 2.609 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000346631809 428248789 /nfs/dbraw/zinc/24/87/89/428248789.db2.gz CLJRWHUBONXJOX-WFASDCNBSA-N 2 1 316.424 2.797 20 0 DFADMP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858733 428249057 /nfs/dbraw/zinc/24/90/57/428249057.db2.gz BGBSLDFASZOZQT-AWEZNQCLSA-N 2 1 301.438 2.529 20 0 DFADMP C[N@H+](Cc1cnn(C(C)(C)C)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858733 428249062 /nfs/dbraw/zinc/24/90/62/428249062.db2.gz BGBSLDFASZOZQT-AWEZNQCLSA-N 2 1 301.438 2.529 20 0 DFADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCn2ccnc2C1 ZINC000377869856 428250334 /nfs/dbraw/zinc/25/03/34/428250334.db2.gz RDKYMSYWXZSUEU-OAHLLOKOSA-N 2 1 309.413 2.853 20 0 DFADMP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377869856 428250338 /nfs/dbraw/zinc/25/03/38/428250338.db2.gz RDKYMSYWXZSUEU-OAHLLOKOSA-N 2 1 309.413 2.853 20 0 DFADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377869856 428250341 /nfs/dbraw/zinc/25/03/41/428250341.db2.gz RDKYMSYWXZSUEU-OAHLLOKOSA-N 2 1 309.413 2.853 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc2C1 ZINC000352790270 428251444 /nfs/dbraw/zinc/25/14/44/428251444.db2.gz RLBWAXBSMGMVHR-FNHZYXHNSA-N 2 1 315.461 2.552 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc2C1 ZINC000352790270 428251448 /nfs/dbraw/zinc/25/14/48/428251448.db2.gz RLBWAXBSMGMVHR-FNHZYXHNSA-N 2 1 315.461 2.552 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000370620102 428254905 /nfs/dbraw/zinc/25/49/05/428254905.db2.gz KOMKAZMPNICXGC-JYYAWHABSA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000370620102 428254912 /nfs/dbraw/zinc/25/49/12/428254912.db2.gz KOMKAZMPNICXGC-JYYAWHABSA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000370620102 428254917 /nfs/dbraw/zinc/25/49/17/428254917.db2.gz KOMKAZMPNICXGC-JYYAWHABSA-N 2 1 307.507 2.813 20 0 DFADMP CC(C)n1ncc2c1C[C@@H]([NH2+]Cc1c[nH+]ccc1N(C)C)CC2 ZINC000365138141 273576521 /nfs/dbraw/zinc/57/65/21/273576521.db2.gz OKLMDJMEXWSDPT-INIZCTEOSA-N 2 1 313.449 2.572 20 0 DFADMP CC[N@H+]1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000414330924 428260864 /nfs/dbraw/zinc/26/08/64/428260864.db2.gz CKUQEFACDPWXJH-FXAWDEMLSA-N 2 1 315.505 2.766 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]21 ZINC000342097465 428298242 /nfs/dbraw/zinc/29/82/42/428298242.db2.gz HSKCDRZWHZLESL-VBNZEHGJSA-N 2 1 321.852 2.728 20 0 DFADMP CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CC[NH2+]C1 ZINC000370843096 428305652 /nfs/dbraw/zinc/30/56/52/428305652.db2.gz MDFXOTPRGBZZGA-LJQANCHMSA-N 2 1 317.477 2.533 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C3C[C@H](C)O[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000360454921 428306369 /nfs/dbraw/zinc/30/63/69/428306369.db2.gz NDNZYNYNDPGOAM-DZKIICNBSA-N 2 1 318.465 2.608 20 0 DFADMP CN1CC[C@@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)[C@H]2C1 ZINC000352929912 428315941 /nfs/dbraw/zinc/31/59/41/428315941.db2.gz IYNMYIKNHDIQDR-PBHICJAKSA-N 2 1 300.446 2.926 20 0 DFADMP CN1CC[C@@H]2CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)[C@H]2C1 ZINC000352929912 428315948 /nfs/dbraw/zinc/31/59/48/428315948.db2.gz IYNMYIKNHDIQDR-PBHICJAKSA-N 2 1 300.446 2.926 20 0 DFADMP C[C@H]1[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CCC[N@H+]1C ZINC000346795727 428322523 /nfs/dbraw/zinc/32/25/23/428322523.db2.gz MSALCEPUEOZNCQ-FXAWDEMLSA-N 2 1 315.505 2.766 20 0 DFADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)s2)o1 ZINC000346816661 428329669 /nfs/dbraw/zinc/32/96/69/428329669.db2.gz DYEYKCGLTMEMAS-UBHSHLNASA-N 2 1 303.431 2.881 20 0 DFADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)s2)o1 ZINC000346816661 428329675 /nfs/dbraw/zinc/32/96/75/428329675.db2.gz DYEYKCGLTMEMAS-UBHSHLNASA-N 2 1 303.431 2.881 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352971980 428331257 /nfs/dbraw/zinc/33/12/57/428331257.db2.gz MRMUTZXLNUHUBZ-ZWKOTPCHSA-N 2 1 321.509 2.728 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000414535080 428331271 /nfs/dbraw/zinc/33/12/71/428331271.db2.gz XPXMCDAHIWRVGY-RTBURBONSA-N 2 1 313.445 2.641 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cc[nH]c1 ZINC000414535080 428331276 /nfs/dbraw/zinc/33/12/76/428331276.db2.gz XPXMCDAHIWRVGY-RTBURBONSA-N 2 1 313.445 2.641 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCOC1 ZINC000356840453 428335626 /nfs/dbraw/zinc/33/56/26/428335626.db2.gz FLTZJFRJZSOUGP-VNTMZGSJSA-N 2 1 314.473 2.913 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H]([NH3+])C(C)(C)C)C1 ZINC000378211193 428336281 /nfs/dbraw/zinc/33/62/81/428336281.db2.gz OVZVSVDOHDNLND-UONOGXRCSA-N 2 1 306.454 2.543 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000346832617 428337432 /nfs/dbraw/zinc/33/74/32/428337432.db2.gz LQBCJVSZERDMQT-KBRIMQKVSA-N 2 1 316.836 2.695 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)cc1OC ZINC000346837219 428339215 /nfs/dbraw/zinc/33/92/15/428339215.db2.gz PQJGXBAXEIFCFS-GDBMZVCRSA-N 2 1 304.434 2.840 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840106 428343142 /nfs/dbraw/zinc/34/31/42/428343142.db2.gz ZIVGZRSTVWGNTF-OTWHNJEPSA-N 2 1 315.505 2.814 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840106 428343147 /nfs/dbraw/zinc/34/31/47/428343147.db2.gz ZIVGZRSTVWGNTF-OTWHNJEPSA-N 2 1 315.505 2.814 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840106 428343152 /nfs/dbraw/zinc/34/31/52/428343152.db2.gz ZIVGZRSTVWGNTF-OTWHNJEPSA-N 2 1 315.505 2.814 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840106 428343158 /nfs/dbraw/zinc/34/31/58/428343158.db2.gz ZIVGZRSTVWGNTF-OTWHNJEPSA-N 3 1 315.505 2.814 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840106 428343162 /nfs/dbraw/zinc/34/31/62/428343162.db2.gz ZIVGZRSTVWGNTF-OTWHNJEPSA-N 3 1 315.505 2.814 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840106 428343165 /nfs/dbraw/zinc/34/31/65/428343165.db2.gz ZIVGZRSTVWGNTF-OTWHNJEPSA-N 3 1 315.505 2.814 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346840106 428343171 /nfs/dbraw/zinc/34/31/71/428343171.db2.gz ZIVGZRSTVWGNTF-OTWHNJEPSA-N 3 1 315.505 2.814 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346848972 428344373 /nfs/dbraw/zinc/34/43/73/428344373.db2.gz FXHIUAXUEAFCRF-SNRMKQJTSA-N 2 1 310.445 2.658 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C[C@@H]21 ZINC000346846268 428345287 /nfs/dbraw/zinc/34/52/87/428345287.db2.gz NTSFERSVQWBSAR-YLQAJVPDSA-N 2 1 314.408 2.775 20 0 DFADMP COc1cc2c(c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c1)O[C@H](C)C2 ZINC000346848951 428345695 /nfs/dbraw/zinc/34/56/95/428345695.db2.gz FTICCJXVLFVAMK-QISBLDNZSA-N 2 1 316.445 2.578 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346849932 428346156 /nfs/dbraw/zinc/34/61/56/428346156.db2.gz GPMDQYYQIWFIRA-OUCADQQQSA-N 2 1 310.825 2.526 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346849932 428346164 /nfs/dbraw/zinc/34/61/64/428346164.db2.gz GPMDQYYQIWFIRA-OUCADQQQSA-N 2 1 310.825 2.526 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OCC(C)C ZINC000346855621 428347195 /nfs/dbraw/zinc/34/71/95/428347195.db2.gz UYZUNPCKFWVYHC-BBWFWOEESA-N 2 1 318.461 2.899 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360561734 428350194 /nfs/dbraw/zinc/35/01/94/428350194.db2.gz JUHLGELIRXDXAH-OAHLLOKOSA-N 2 1 314.351 2.770 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000360561734 428350198 /nfs/dbraw/zinc/35/01/98/428350198.db2.gz JUHLGELIRXDXAH-OAHLLOKOSA-N 2 1 314.351 2.770 20 0 DFADMP CCc1nc(NC[C@H](c2ccc(C)o2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000342102770 428300660 /nfs/dbraw/zinc/30/06/60/428300660.db2.gz ZSXJCKQPDPENTM-OAHLLOKOSA-N 2 1 314.433 3.498 20 0 DFADMP CCc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000414447893 428302528 /nfs/dbraw/zinc/30/25/28/428302528.db2.gz YPASNCLVVGTKDQ-CRAIPNDOSA-N 2 1 310.445 2.792 20 0 DFADMP CCc1ncc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)cn1 ZINC000414447893 428302530 /nfs/dbraw/zinc/30/25/30/428302530.db2.gz YPASNCLVVGTKDQ-CRAIPNDOSA-N 2 1 310.445 2.792 20 0 DFADMP Cc1c[nH]nc1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733504 428388781 /nfs/dbraw/zinc/38/87/81/428388781.db2.gz JKVONYJLRMKHGL-MJGOQNOKSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1c[nH]nc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733504 428388788 /nfs/dbraw/zinc/38/87/88/428388788.db2.gz JKVONYJLRMKHGL-MJGOQNOKSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1cn[nH]c1C[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733504 428388791 /nfs/dbraw/zinc/38/87/91/428388791.db2.gz JKVONYJLRMKHGL-MJGOQNOKSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1cn[nH]c1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000414733504 428388795 /nfs/dbraw/zinc/38/87/95/428388795.db2.gz JKVONYJLRMKHGL-MJGOQNOKSA-N 2 1 312.461 2.890 20 0 DFADMP CC(C)[N@@H+](C[C@H](O)COc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414741835 428389853 /nfs/dbraw/zinc/38/98/53/428389853.db2.gz LDSLHHVMYQUQKS-KURKYZTESA-N 2 1 320.477 2.525 20 0 DFADMP CC[C@H](c1ccccc1)[N@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000346975525 428391173 /nfs/dbraw/zinc/39/11/73/428391173.db2.gz JGQGJNIZEIJWHS-QGZVFWFLSA-N 2 1 304.434 2.612 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC[NH2+]1 ZINC000414743320 428391642 /nfs/dbraw/zinc/39/16/42/428391642.db2.gz VBMUOQKTBVFAFF-ZACQAIPSSA-N 2 1 315.461 2.725 20 0 DFADMP COC(=O)CCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414751331 428392092 /nfs/dbraw/zinc/39/20/92/428392092.db2.gz INMTYYYXZNMPIB-FUHWJXTLSA-N 2 1 318.461 2.830 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000346983331 428394339 /nfs/dbraw/zinc/39/43/39/428394339.db2.gz PQMLCZPINISVQN-GOEBONIOSA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)C[C@H]([NH3+])CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000414758385 428394469 /nfs/dbraw/zinc/39/44/69/428394469.db2.gz CKPCSJXBIZXZCC-HOTGVXAUSA-N 2 1 304.482 2.772 20 0 DFADMP COc1ccc(CC[C@@H]2CCCC[N@H+]2CCC[NH3+])cc1OC ZINC000414755489 428395444 /nfs/dbraw/zinc/39/54/44/428395444.db2.gz ZGAGEMJOSBJULB-INIZCTEOSA-N 2 1 306.450 2.840 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000378428680 428396060 /nfs/dbraw/zinc/39/60/60/428396060.db2.gz JXMAVTKPHGPREV-QXAKKESOSA-N 2 1 318.461 2.845 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C(C)C)cc1 ZINC000378428680 428396061 /nfs/dbraw/zinc/39/60/61/428396061.db2.gz JXMAVTKPHGPREV-QXAKKESOSA-N 2 1 318.461 2.845 20 0 DFADMP COCCCOc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414766990 428397071 /nfs/dbraw/zinc/39/70/71/428397071.db2.gz IZKSCIUDZAQLJO-HDICACEKSA-N 2 1 318.461 2.533 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000357117103 428397758 /nfs/dbraw/zinc/39/77/58/428397758.db2.gz CFIKJTSKQHNDRY-VYDXJSESSA-N 2 1 321.509 2.628 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000357117101 428397783 /nfs/dbraw/zinc/39/77/83/428397783.db2.gz CFIKJTSKQHNDRY-HLLBOEOZSA-N 2 1 321.509 2.628 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414774046 428400041 /nfs/dbraw/zinc/40/00/41/428400041.db2.gz FCWZPWGANTXAHT-ZWKOTPCHSA-N 2 1 310.445 2.694 20 0 DFADMP C[N@H+](Cc1cncc(F)c1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000347003044 428402180 /nfs/dbraw/zinc/40/21/80/428402180.db2.gz XKBZJFVGZTYMRK-UHFFFAOYSA-N 2 1 314.408 2.964 20 0 DFADMP CCc1cccc(F)c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784285 428405775 /nfs/dbraw/zinc/40/57/75/428405775.db2.gz RCSROJNVYAFHLA-OAHLLOKOSA-N 2 1 306.425 2.575 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347021863 428409839 /nfs/dbraw/zinc/40/98/39/428409839.db2.gz NXELRZZPTGQEBF-JQWIXIFHSA-N 2 1 302.340 2.986 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347021863 428409843 /nfs/dbraw/zinc/40/98/43/428409843.db2.gz NXELRZZPTGQEBF-JQWIXIFHSA-N 2 1 302.340 2.986 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000414789671 428410219 /nfs/dbraw/zinc/41/02/19/428410219.db2.gz YKSSZUSSGNTWQL-HOTGVXAUSA-N 2 1 303.450 2.529 20 0 DFADMP CC(C)Oc1ccccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414792804 428412523 /nfs/dbraw/zinc/41/25/23/428412523.db2.gz SMNVGRKUBCMULZ-KRWDZBQOSA-N 2 1 318.461 2.661 20 0 DFADMP C[NH2+]C[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347029676 428412919 /nfs/dbraw/zinc/41/29/19/428412919.db2.gz XFLSCUNMTCTSTP-SFHVURJKSA-N 2 1 303.494 2.686 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCCN(CCn2cccn2)CC1 ZINC000371107444 428361295 /nfs/dbraw/zinc/36/12/95/428361295.db2.gz OCQVFEDFLNDUKF-IBGZPJMESA-N 2 1 312.461 2.870 20 0 DFADMP C[N@H+](Cc1ccccc1)[C@H]1CCC[NH+](CCn2cccn2)CC1 ZINC000371107444 428361300 /nfs/dbraw/zinc/36/13/00/428361300.db2.gz OCQVFEDFLNDUKF-IBGZPJMESA-N 2 1 312.461 2.870 20 0 DFADMP C[NH+](Cc1ccccc1)[C@H]1CCC[N@@H+](CCn2cccn2)CC1 ZINC000371107444 428361313 /nfs/dbraw/zinc/36/13/13/428361313.db2.gz OCQVFEDFLNDUKF-IBGZPJMESA-N 2 1 312.461 2.870 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000414663843 428367653 /nfs/dbraw/zinc/36/76/53/428367653.db2.gz RWHZRUUTSQGUIZ-ZJUUUORDSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)s1 ZINC000414663843 428367656 /nfs/dbraw/zinc/36/76/56/428367656.db2.gz RWHZRUUTSQGUIZ-ZJUUUORDSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000414660386 428368052 /nfs/dbraw/zinc/36/80/52/428368052.db2.gz NZJYNIVJLKYDQI-DZGCQCFKSA-N 2 1 316.424 2.879 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@H]1COc2ccccc2O1 ZINC000414672235 428369847 /nfs/dbraw/zinc/36/98/47/428369847.db2.gz AMPVJKJYZXCZOO-XHSDSOJGSA-N 2 1 304.434 2.536 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414674786 428370015 /nfs/dbraw/zinc/37/00/15/428370015.db2.gz FDOHMAPNCBTVSJ-HUUCEWRRSA-N 2 1 303.450 2.507 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414674788 428371015 /nfs/dbraw/zinc/37/10/15/428371015.db2.gz FDOHMAPNCBTVSJ-LSDHHAIUSA-N 2 1 303.450 2.507 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)cc1OC ZINC000414675267 428371374 /nfs/dbraw/zinc/37/13/74/428371374.db2.gz FNRRKTCYPFLKAB-LSDHHAIUSA-N 2 1 306.450 2.832 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414688778 428375520 /nfs/dbraw/zinc/37/55/20/428375520.db2.gz DYBSMIJLLYDDIP-JKSUJKDBSA-N 2 1 324.440 2.541 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353071832 428376047 /nfs/dbraw/zinc/37/60/47/428376047.db2.gz LBEWXGQWOMRGOW-CQSZACIVSA-N 2 1 324.538 2.728 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000353071832 428376052 /nfs/dbraw/zinc/37/60/52/428376052.db2.gz LBEWXGQWOMRGOW-CQSZACIVSA-N 2 1 324.538 2.728 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000353071832 428376056 /nfs/dbraw/zinc/37/60/56/428376056.db2.gz LBEWXGQWOMRGOW-CQSZACIVSA-N 2 1 324.538 2.728 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000414694021 428378602 /nfs/dbraw/zinc/37/86/02/428378602.db2.gz NJDMZNPPBOSENX-SJLPKXTDSA-N 2 1 317.477 2.502 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@H+]1CCC[C@H](CNC(=O)c2ccccc2)C1 ZINC000414694021 428378606 /nfs/dbraw/zinc/37/86/06/428378606.db2.gz NJDMZNPPBOSENX-SJLPKXTDSA-N 2 1 317.477 2.502 20 0 DFADMP CC(C)[N@@H+](CCOCC[NH3+])Cc1ccc(Br)cc1 ZINC000357074739 428378793 /nfs/dbraw/zinc/37/87/93/428378793.db2.gz NHMYIEDVBTYTRJ-UHFFFAOYSA-N 2 1 315.255 2.635 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)ccn1 ZINC000357070968 428379059 /nfs/dbraw/zinc/37/90/59/428379059.db2.gz BHDFNYZIFINNEG-RTBURBONSA-N 2 1 323.440 2.702 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)ccn1 ZINC000357070968 428379064 /nfs/dbraw/zinc/37/90/64/428379064.db2.gz BHDFNYZIFINNEG-RTBURBONSA-N 2 1 323.440 2.702 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000414702472 428380936 /nfs/dbraw/zinc/38/09/36/428380936.db2.gz XHYJIQZFQQAGOW-BBWFWOEESA-N 2 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)[nH+]1 ZINC000414702472 428380942 /nfs/dbraw/zinc/38/09/42/428380942.db2.gz XHYJIQZFQQAGOW-BBWFWOEESA-N 3 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)[nH+]1 ZINC000414702472 428380949 /nfs/dbraw/zinc/38/09/49/428380949.db2.gz XHYJIQZFQQAGOW-BBWFWOEESA-N 3 1 302.466 2.512 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC[NH2+]1 ZINC000414715626 428385940 /nfs/dbraw/zinc/38/59/40/428385940.db2.gz RHXUOLRORDYXDO-AYBZRNKSSA-N 2 1 302.462 2.648 20 0 DFADMP CCc1nnc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)o1 ZINC000357092710 428386101 /nfs/dbraw/zinc/38/61/01/428386101.db2.gz ZMYHVOZOVOOQGL-UHFFFAOYSA-N 2 1 320.481 2.966 20 0 DFADMP CCc1nnc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)o1 ZINC000357092710 428386106 /nfs/dbraw/zinc/38/61/06/428386106.db2.gz ZMYHVOZOVOOQGL-UHFFFAOYSA-N 2 1 320.481 2.966 20 0 DFADMP CCCCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357101813 428387570 /nfs/dbraw/zinc/38/75/70/428387570.db2.gz DYQMXJXYQSFZHR-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357101813 428387576 /nfs/dbraw/zinc/38/75/76/428387576.db2.gz DYQMXJXYQSFZHR-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1ccc(Br)cc1SC ZINC000414858451 428434713 /nfs/dbraw/zinc/43/47/13/428434713.db2.gz JKEZTMUVZIQVGS-UHFFFAOYSA-N 2 1 303.269 2.870 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC[C@H](C[NH3+])C1 ZINC000347083968 428436485 /nfs/dbraw/zinc/43/64/85/428436485.db2.gz ZTLSTJPQKQKTLI-GOSISDBHSA-N 2 1 303.494 2.815 20 0 DFADMP CCC[N@@H+](Cc1ccc(OCCOC)cc1)C1CC[NH2+]CC1 ZINC000347084936 428437636 /nfs/dbraw/zinc/43/76/36/428437636.db2.gz CLVVWKUDXKQSDE-UHFFFAOYSA-N 2 1 306.450 2.676 20 0 DFADMP c1nn(-c2ccccc2)cc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414868263 428438782 /nfs/dbraw/zinc/43/87/82/428438782.db2.gz ABVABGNCEYIVQJ-UHFFFAOYSA-N 2 1 321.428 2.537 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H](C[NH3+])C2)cc1OCCC(C)C ZINC000347098815 428445189 /nfs/dbraw/zinc/44/51/89/428445189.db2.gz IRKKFGAJPJMEGV-INIZCTEOSA-N 2 1 306.450 2.901 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C[NH3+])C2)cc1OCCC(C)C ZINC000347098815 428445193 /nfs/dbraw/zinc/44/51/93/428445193.db2.gz IRKKFGAJPJMEGV-INIZCTEOSA-N 2 1 306.450 2.901 20 0 DFADMP CC1CC[NH+](CCN2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000372414996 428445774 /nfs/dbraw/zinc/44/57/74/428445774.db2.gz CBKAWDHKATYESY-SFHVURJKSA-N 2 1 319.537 2.915 20 0 DFADMP CC1CCN(CC[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000372414996 428445779 /nfs/dbraw/zinc/44/57/79/428445779.db2.gz CBKAWDHKATYESY-SFHVURJKSA-N 2 1 319.537 2.915 20 0 DFADMP CC1CCN(CC[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000372414996 428445782 /nfs/dbraw/zinc/44/57/82/428445782.db2.gz CBKAWDHKATYESY-SFHVURJKSA-N 2 1 319.537 2.915 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000378644209 428447397 /nfs/dbraw/zinc/44/73/97/428447397.db2.gz BVWAYSUPZNLVOB-KRWDZBQOSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](Oc2cccc(F)c2)C1 ZINC000378644209 428447405 /nfs/dbraw/zinc/44/74/05/428447405.db2.gz BVWAYSUPZNLVOB-KRWDZBQOSA-N 2 1 303.381 2.874 20 0 DFADMP C[C@@H](CC[NH3+])[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414888265 428447326 /nfs/dbraw/zinc/44/73/26/428447326.db2.gz FDNMHTMPFRSZSM-JTQLQIEISA-N 2 1 323.238 2.666 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414899509 428448628 /nfs/dbraw/zinc/44/86/28/428448628.db2.gz CACIPPREOHWZPA-GOSISDBHSA-N 2 1 312.461 2.780 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@@H]1[NH3+] ZINC000347108372 428449738 /nfs/dbraw/zinc/44/97/38/428449738.db2.gz MRXPOVGVDUYDIP-FZMZJTMJSA-N 2 1 302.340 2.797 20 0 DFADMP COc1c(Br)cccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414900845 428449730 /nfs/dbraw/zinc/44/97/30/428449730.db2.gz FCIIJWZSAANNHX-GFCCVEGCSA-N 2 1 313.239 2.689 20 0 DFADMP c1cn(-c2csc(C[NH+]3CCC([NH2+]CC4CC4)CC3)c2)cn1 ZINC000347108927 428449781 /nfs/dbraw/zinc/44/97/81/428449781.db2.gz PASZROXHWIRSPP-UHFFFAOYSA-N 3 1 316.474 2.898 20 0 DFADMP COc1cccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1OC(F)F ZINC000414899522 428449967 /nfs/dbraw/zinc/44/99/67/428449967.db2.gz HERBVVQEZTVVCI-MRXNPFEDSA-N 2 1 314.376 2.776 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379644470 428450416 /nfs/dbraw/zinc/45/04/16/428450416.db2.gz CIAWWLQWKFCLFH-KBAYOESNSA-N 2 1 317.477 2.529 20 0 DFADMP CC(C)[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379655314 428451792 /nfs/dbraw/zinc/45/17/92/428451792.db2.gz LLCUFQLWCSCUJD-ROUUACIJSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000353254466 428452568 /nfs/dbraw/zinc/45/25/68/428452568.db2.gz NXBLRCMGZJDDCR-WDYCEAGBSA-N 2 1 302.462 2.567 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414902456 428452889 /nfs/dbraw/zinc/45/28/89/428452889.db2.gz IDAWQYYWNLUFKO-NMLBUPMWSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414902456 428452893 /nfs/dbraw/zinc/45/28/93/428452893.db2.gz IDAWQYYWNLUFKO-NMLBUPMWSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000414902456 428452899 /nfs/dbraw/zinc/45/28/99/428452899.db2.gz IDAWQYYWNLUFKO-NMLBUPMWSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000414902368 428453295 /nfs/dbraw/zinc/45/32/95/428453295.db2.gz HFMUECPDORAXIN-NZSAHSFTSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000414902368 428453300 /nfs/dbraw/zinc/45/33/00/428453300.db2.gz HFMUECPDORAXIN-NZSAHSFTSA-N 2 1 301.478 2.801 20 0 DFADMP COCC1(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CCC1 ZINC000381957854 428454782 /nfs/dbraw/zinc/45/47/82/428454782.db2.gz FYQAYDITQPYYAR-GOSISDBHSA-N 2 1 302.462 2.915 20 0 DFADMP c1ccc(COc2ccccc2C[NH2+]CC[C@H]2CCC[NH2+]2)nc1 ZINC000414912520 428455503 /nfs/dbraw/zinc/45/55/03/428455503.db2.gz YJROBTLEUICRMX-QGZVFWFLSA-N 2 1 311.429 2.892 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347125327 428456500 /nfs/dbraw/zinc/45/65/00/428456500.db2.gz YBKWSPFVEVQSKJ-MRXNPFEDSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347125327 428456504 /nfs/dbraw/zinc/45/65/04/428456504.db2.gz YBKWSPFVEVQSKJ-MRXNPFEDSA-N 2 1 311.429 2.702 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347128092 428457857 /nfs/dbraw/zinc/45/78/57/428457857.db2.gz ZOKDMIVVRAMGFP-OAHLLOKOSA-N 2 1 316.424 2.799 20 0 DFADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372538087 428458426 /nfs/dbraw/zinc/45/84/26/428458426.db2.gz DSLAMKKRZZIEFP-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372538087 428458431 /nfs/dbraw/zinc/45/84/31/428458431.db2.gz DSLAMKKRZZIEFP-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372538088 428458616 /nfs/dbraw/zinc/45/86/16/428458616.db2.gz DSLAMKKRZZIEFP-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372538088 428458620 /nfs/dbraw/zinc/45/86/20/428458620.db2.gz DSLAMKKRZZIEFP-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)CC[C@@H]1[NH3+] ZINC000387704478 428462290 /nfs/dbraw/zinc/46/22/90/428462290.db2.gz IPAFNZRAEZBMOW-OLZOCXBDSA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)CC[C@@H]1[NH3+] ZINC000387704478 428462297 /nfs/dbraw/zinc/46/22/97/428462297.db2.gz IPAFNZRAEZBMOW-OLZOCXBDSA-N 2 1 314.376 2.856 20 0 DFADMP CN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000388557240 428465438 /nfs/dbraw/zinc/46/54/38/428465438.db2.gz YJXTYJLCTQRYTF-QGZVFWFLSA-N 2 1 317.477 2.627 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)ccc1OC(F)F ZINC000414947996 428466235 /nfs/dbraw/zinc/46/62/35/428466235.db2.gz LQKRIDXBEKEKAT-PWSUYJOCSA-N 2 1 300.349 2.527 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@@H]1CCC[NH2+][C@H]1C ZINC000414951943 428467995 /nfs/dbraw/zinc/46/79/95/428467995.db2.gz JUEINKIOWUUXFV-TYNCELHUSA-N 2 1 309.841 2.787 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000360863042 428469533 /nfs/dbraw/zinc/46/95/33/428469533.db2.gz YQIQNLJNNWRWAO-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360863042 428469538 /nfs/dbraw/zinc/46/95/38/428469538.db2.gz YQIQNLJNNWRWAO-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360863042 428469541 /nfs/dbraw/zinc/46/95/41/428469541.db2.gz YQIQNLJNNWRWAO-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000360863042 428469546 /nfs/dbraw/zinc/46/95/46/428469546.db2.gz YQIQNLJNNWRWAO-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000360863042 428469550 /nfs/dbraw/zinc/46/95/50/428469550.db2.gz YQIQNLJNNWRWAO-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414799092 428415457 /nfs/dbraw/zinc/41/54/57/428415457.db2.gz JKUVDTASYLXOCW-QFBILLFUSA-N 2 1 319.468 2.550 20 0 DFADMP CC(C)([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414799747 428417133 /nfs/dbraw/zinc/41/71/33/428417133.db2.gz GZPQRSBFAJSOMZ-UHFFFAOYSA-N 2 1 323.181 2.877 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CC12CCOCC2 ZINC000414797851 428417245 /nfs/dbraw/zinc/41/72/45/428417245.db2.gz YXEZNMYPFQSYMQ-HNNXBMFYSA-N 2 1 300.402 2.620 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cnc21 ZINC000347037855 428417972 /nfs/dbraw/zinc/41/79/72/428417972.db2.gz FZTKGPDDKVXUNC-HIFRSBDPSA-N 2 1 301.438 2.571 20 0 DFADMP CC(C)([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414810014 428419196 /nfs/dbraw/zinc/41/91/96/428419196.db2.gz WIWFSTDNYNJTJV-UHFFFAOYSA-N 2 1 321.428 2.761 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414811917 428419427 /nfs/dbraw/zinc/41/94/27/428419427.db2.gz JUFFMVZCWDGYCC-ZFWWWQNUSA-N 2 1 307.438 2.519 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347040296 428421040 /nfs/dbraw/zinc/42/10/40/428421040.db2.gz HVXZWOCSVLMNJO-SJPCQFCGSA-N 2 1 314.408 2.931 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347040296 428421043 /nfs/dbraw/zinc/42/10/43/428421043.db2.gz HVXZWOCSVLMNJO-SJPCQFCGSA-N 2 1 314.408 2.931 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414821102 428421099 /nfs/dbraw/zinc/42/10/99/428421099.db2.gz BSCOSAQTSWBMDF-STQMWFEESA-N 2 1 309.841 2.707 20 0 DFADMP CC1CC[NH+](CC(=O)Nc2cccc3c2C[N@@H+](C2CC2)C3)CC1 ZINC000378525485 428421244 /nfs/dbraw/zinc/42/12/44/428421244.db2.gz FPLWXMKRUGJNGR-UHFFFAOYSA-N 2 1 313.445 2.835 20 0 DFADMP CC1CC[NH+](CC(=O)Nc2cccc3c2C[N@H+](C2CC2)C3)CC1 ZINC000378525485 428421254 /nfs/dbraw/zinc/42/12/54/428421254.db2.gz FPLWXMKRUGJNGR-UHFFFAOYSA-N 2 1 313.445 2.835 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OCc2noc(C)n2)cc1 ZINC000414816561 428421470 /nfs/dbraw/zinc/42/14/70/428421470.db2.gz QANQSBSHYZCMDK-OAHLLOKOSA-N 2 1 318.421 2.564 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000353190274 428421997 /nfs/dbraw/zinc/42/19/97/428421997.db2.gz ZBGKDRAVSVUHMO-SCLBCKFNSA-N 2 1 314.433 2.875 20 0 DFADMP C[C@H](c1nncn1C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000347044450 428421956 /nfs/dbraw/zinc/42/19/56/428421956.db2.gz FJXZEWSJDVXDRZ-JKSUJKDBSA-N 2 1 319.497 2.853 20 0 DFADMP C[C@H](c1nncn1C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000347044450 428421957 /nfs/dbraw/zinc/42/19/57/428421957.db2.gz FJXZEWSJDVXDRZ-JKSUJKDBSA-N 2 1 319.497 2.853 20 0 DFADMP CCC[N@H+](Cc1cc(OC)c(OC)cc1OC)C1CC[NH2+]CC1 ZINC000347046496 428422949 /nfs/dbraw/zinc/42/29/49/428422949.db2.gz OIFBXBIDFCQLOT-UHFFFAOYSA-N 2 1 322.449 2.676 20 0 DFADMP CCC[N@@H+](Cc1cc(OC)c(OC)cc1OC)C1CC[NH2+]CC1 ZINC000347046496 428422956 /nfs/dbraw/zinc/42/29/56/428422956.db2.gz OIFBXBIDFCQLOT-UHFFFAOYSA-N 2 1 322.449 2.676 20 0 DFADMP FC(F)(F)CCN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000378553127 428424075 /nfs/dbraw/zinc/42/40/75/428424075.db2.gz SDEBEJOXBNFSRY-LSDHHAIUSA-N 2 1 319.415 2.620 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000378553127 428424080 /nfs/dbraw/zinc/42/40/80/428424080.db2.gz SDEBEJOXBNFSRY-LSDHHAIUSA-N 2 1 319.415 2.620 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000378553127 428424084 /nfs/dbraw/zinc/42/40/84/428424084.db2.gz SDEBEJOXBNFSRY-LSDHHAIUSA-N 2 1 319.415 2.620 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000347049138 428424415 /nfs/dbraw/zinc/42/44/15/428424415.db2.gz QBBZKRKAUQVEMI-UHFFFAOYSA-N 2 1 304.825 2.914 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(Cl)cc1)C1CC[NH2+]CC1 ZINC000347049138 428424420 /nfs/dbraw/zinc/42/44/20/428424420.db2.gz QBBZKRKAUQVEMI-UHFFFAOYSA-N 2 1 304.825 2.914 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414950723 428469899 /nfs/dbraw/zinc/46/98/99/428469899.db2.gz GJRAGSWLFOQCMY-FUHWJXTLSA-N 2 1 303.494 2.732 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000414950723 428469905 /nfs/dbraw/zinc/46/99/05/428469905.db2.gz GJRAGSWLFOQCMY-FUHWJXTLSA-N 3 1 303.494 2.732 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414950723 428469907 /nfs/dbraw/zinc/46/99/07/428469907.db2.gz GJRAGSWLFOQCMY-FUHWJXTLSA-N 3 1 303.494 2.732 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCCCC1 ZINC000414838437 428430055 /nfs/dbraw/zinc/43/00/55/428430055.db2.gz IDJPZKYVHHOBNS-GOSISDBHSA-N 2 1 318.461 2.996 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]2)cc1Cl ZINC000414853769 428432120 /nfs/dbraw/zinc/43/21/20/428432120.db2.gz YBYWHXBFKRWHPM-OCCSQVGLSA-N 2 1 309.841 2.707 20 0 DFADMP CCn1cc(CN2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@H]3C2)cn1 ZINC000360776931 428433042 /nfs/dbraw/zinc/43/30/42/428433042.db2.gz ILQIUDOPRVLWRU-GBESFXJTSA-N 2 1 310.445 2.638 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000353309716 428481001 /nfs/dbraw/zinc/48/10/01/428481001.db2.gz DOGHFMQNEZDBNS-ICSRJNTNSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000353309716 428481005 /nfs/dbraw/zinc/48/10/05/428481005.db2.gz DOGHFMQNEZDBNS-ICSRJNTNSA-N 2 1 314.473 2.936 20 0 DFADMP C[NH2+][C@@H](C)C[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000414991585 428481754 /nfs/dbraw/zinc/48/17/54/428481754.db2.gz SMPWUUZIIOEEJW-ZJUUUORDSA-N 2 1 303.219 2.717 20 0 DFADMP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000414990272 428482658 /nfs/dbraw/zinc/48/26/58/428482658.db2.gz IDRPKQNNTLJOFD-ZVBHREPYSA-N 3 1 313.489 2.757 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000342893358 428483270 /nfs/dbraw/zinc/48/32/70/428483270.db2.gz QWLBHHYRVQHYKQ-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000360896192 428484470 /nfs/dbraw/zinc/48/44/70/428484470.db2.gz DREWNZNICYQTSZ-IUODEOHRSA-N 2 1 323.868 2.907 20 0 DFADMP CC(C)(C)c1nc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cs1 ZINC000414997412 428485686 /nfs/dbraw/zinc/48/56/86/428485686.db2.gz HHHRNAIMDKZEJG-SNVBAGLBSA-N 2 1 303.422 2.775 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C)C1CCCC1 ZINC000372679122 428487242 /nfs/dbraw/zinc/48/72/42/428487242.db2.gz DBXSKAIWOQCENV-OWYHZJEWSA-N 2 1 324.509 2.671 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C1CCCC1 ZINC000372679122 428487246 /nfs/dbraw/zinc/48/72/46/428487246.db2.gz DBXSKAIWOQCENV-OWYHZJEWSA-N 2 1 324.509 2.671 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000393736734 428487591 /nfs/dbraw/zinc/48/75/91/428487591.db2.gz AEHVADYKICNDKA-ROUUACIJSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000415009925 428488034 /nfs/dbraw/zinc/48/80/34/428488034.db2.gz XUAXDCXNXMSEPB-PVAVHDDUSA-N 2 1 323.431 2.656 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000394422734 428488256 /nfs/dbraw/zinc/48/82/56/428488256.db2.gz SHQMZWSFCMCMCJ-VQTJNVASSA-N 2 1 324.472 2.895 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000394422734 428488262 /nfs/dbraw/zinc/48/82/62/428488262.db2.gz SHQMZWSFCMCMCJ-VQTJNVASSA-N 2 1 324.472 2.895 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1cc(Cl)c2c(c1)OCCO2)C1CCCC1 ZINC000415034116 428493186 /nfs/dbraw/zinc/49/31/86/428493186.db2.gz CFMFBPXOWSNSIF-AWEZNQCLSA-N 2 1 310.825 2.718 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415042723 428497610 /nfs/dbraw/zinc/49/76/10/428497610.db2.gz VHZVUPBNSCEHLN-IVMMDQJWSA-N 2 1 303.450 2.991 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000360932926 428497726 /nfs/dbraw/zinc/49/77/26/428497726.db2.gz HSWPBTVOYPRVDJ-ILXRZTDVSA-N 2 1 304.482 2.568 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000360932926 428497732 /nfs/dbraw/zinc/49/77/32/428497732.db2.gz HSWPBTVOYPRVDJ-ILXRZTDVSA-N 2 1 304.482 2.568 20 0 DFADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415047100 428498262 /nfs/dbraw/zinc/49/82/62/428498262.db2.gz AHAFTUJNQVKKKI-SIXWZSSISA-N 2 1 320.477 2.942 20 0 DFADMP CC[C@@H](Cc1ccccc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047162 428498972 /nfs/dbraw/zinc/49/89/72/428498972.db2.gz DXKBZVGUQIVCMD-HDYDNRTBSA-N 2 1 315.505 2.814 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415053081 428500733 /nfs/dbraw/zinc/50/07/33/428500733.db2.gz NYDMYWXUQDFODC-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053811 428501073 /nfs/dbraw/zinc/50/10/73/428501073.db2.gz KQXYMCCPFVJSJY-FZKQIMNGSA-N 2 1 316.424 2.737 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCOC3CCC3)C1)CCCC2 ZINC000347230666 428503180 /nfs/dbraw/zinc/50/31/80/428503180.db2.gz OIQUZXJWGONTII-HNNXBMFYSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCOC3CCC3)C1)CCCC2 ZINC000347230666 428503185 /nfs/dbraw/zinc/50/31/85/428503185.db2.gz OIQUZXJWGONTII-HNNXBMFYSA-N 2 1 303.450 2.886 20 0 DFADMP C[N@@H+](Cc1ccc(-c2cccc(Cl)c2)s1)C[C@@H](O)C[NH3+] ZINC000415055152 428503169 /nfs/dbraw/zinc/50/31/69/428503169.db2.gz MNZMYKXHUCXLKQ-ZDUSSCGKSA-N 2 1 310.850 2.820 20 0 DFADMP C[N@H+](Cc1ccc(-c2cccc(Cl)c2)s1)C[C@@H](O)C[NH3+] ZINC000415055152 428503172 /nfs/dbraw/zinc/50/31/72/428503172.db2.gz MNZMYKXHUCXLKQ-ZDUSSCGKSA-N 2 1 310.850 2.820 20 0 DFADMP OC1(CC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000396797993 428504768 /nfs/dbraw/zinc/50/47/68/428504768.db2.gz ZKCUSDXKKPCMOV-RTBURBONSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(CC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCC1 ZINC000396797993 428504773 /nfs/dbraw/zinc/50/47/73/428504773.db2.gz ZKCUSDXKKPCMOV-RTBURBONSA-N 2 1 314.473 2.745 20 0 DFADMP C[C@@H](CC[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000415061182 428506712 /nfs/dbraw/zinc/50/67/12/428506712.db2.gz YDQGTRMKUXOJFD-KKXNLOMOSA-N 2 1 315.505 2.986 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(Cc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000397442232 428509197 /nfs/dbraw/zinc/50/91/97/428509197.db2.gz GFIRWRHMHIDQHP-GJYPPUQNSA-N 2 1 312.461 2.737 20 0 DFADMP COc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1OC(F)F ZINC000415073308 428509444 /nfs/dbraw/zinc/50/94/44/428509444.db2.gz YFOZHESZTVANGL-UHFFFAOYSA-N 2 1 300.349 2.528 20 0 DFADMP CCn1nc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c2ccccc21 ZINC000397471676 428509634 /nfs/dbraw/zinc/50/96/34/428509634.db2.gz XBKVTDMOISYATP-KFWWJZLASA-N 2 1 300.450 2.861 20 0 DFADMP CCn1nc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c2ccccc21 ZINC000397471676 428509639 /nfs/dbraw/zinc/50/96/39/428509639.db2.gz XBKVTDMOISYATP-KFWWJZLASA-N 2 1 300.450 2.861 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+]CC[NH2+]C(C)(C)C)cc1OC ZINC000415072980 428509835 /nfs/dbraw/zinc/50/98/35/428509835.db2.gz AOTURBVBKFFSCE-UHFFFAOYSA-N 2 1 308.466 2.959 20 0 DFADMP Cc1cc(C)n(-c2ccccc2C[NH2+]C[C@@H]([NH3+])CC(C)C)n1 ZINC000415076781 428513981 /nfs/dbraw/zinc/51/39/81/428513981.db2.gz BKFIZWGQFUGJTL-KRWDZBQOSA-N 2 1 300.450 2.952 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343075440 428514691 /nfs/dbraw/zinc/51/46/91/428514691.db2.gz AEXWFZAUCCQZJS-VQIMIIECSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398011195 428514738 /nfs/dbraw/zinc/51/47/38/428514738.db2.gz DBFLUAPPVXKBDN-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398011195 428514743 /nfs/dbraw/zinc/51/47/43/428514743.db2.gz DBFLUAPPVXKBDN-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398011195 428514748 /nfs/dbraw/zinc/51/47/48/428514748.db2.gz DBFLUAPPVXKBDN-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343075438 428515123 /nfs/dbraw/zinc/51/51/23/428515123.db2.gz AEXWFZAUCCQZJS-QFBILLFUSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000361070255 428531824 /nfs/dbraw/zinc/53/18/24/428531824.db2.gz UPGGYLPDUSOYHY-POAQFYNOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000361070255 428531831 /nfs/dbraw/zinc/53/18/31/428531831.db2.gz UPGGYLPDUSOYHY-POAQFYNOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361070255 428531836 /nfs/dbraw/zinc/53/18/36/428531836.db2.gz UPGGYLPDUSOYHY-POAQFYNOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000361070255 428531842 /nfs/dbraw/zinc/53/18/42/428531842.db2.gz UPGGYLPDUSOYHY-POAQFYNOSA-N 2 1 313.489 2.723 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000415097264 428519612 /nfs/dbraw/zinc/51/96/12/428519612.db2.gz CMDVZFFWBFEGPJ-YTQUADARSA-N 2 1 319.468 2.898 20 0 DFADMP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000415101494 428522601 /nfs/dbraw/zinc/52/26/01/428522601.db2.gz BNPBKCJCVBPIDT-IRXDYDNUSA-N 2 1 310.388 2.683 20 0 DFADMP Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1C ZINC000353404927 428524030 /nfs/dbraw/zinc/52/40/30/428524030.db2.gz NMTVZJKPZGDOCL-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP C[C@]1(C[NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[NH2+]C1 ZINC000415112993 428524197 /nfs/dbraw/zinc/52/41/97/428524197.db2.gz SCFDSUURNSVYCM-SFHVURJKSA-N 2 1 301.434 2.514 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000415119274 428526218 /nfs/dbraw/zinc/52/62/18/428526218.db2.gz FFLKWEQPWYNNRJ-NVXWUHKLSA-N 2 1 306.450 2.519 20 0 DFADMP FC(F)(F)[C@H]1CC[N@@H+](CC2CC[NH2+]CC2)CC12CCOCC2 ZINC000415117935 428526783 /nfs/dbraw/zinc/52/67/83/428526783.db2.gz XOGPYZJCMHMYTI-AWEZNQCLSA-N 2 1 320.399 2.667 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000415121378 428527617 /nfs/dbraw/zinc/52/76/17/428527617.db2.gz GYPUTUSZVWTXKR-HOCLYGCPSA-N 2 1 306.450 2.901 20 0 DFADMP C[N@H+](C[C@H](O)c1cccc(Cl)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372595145 428471629 /nfs/dbraw/zinc/47/16/29/428471629.db2.gz YDAAODHRLSXCBN-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1cccc(Cl)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372595145 428471637 /nfs/dbraw/zinc/47/16/37/428471637.db2.gz YDAAODHRLSXCBN-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP CCCOc1c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cccc1OCC ZINC000414955603 428471718 /nfs/dbraw/zinc/47/17/18/428471718.db2.gz MEIXQWTUMGDMFW-ZBFHGGJFSA-N 2 1 306.450 2.962 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH2+]CC1 ZINC000390654504 428472793 /nfs/dbraw/zinc/47/27/93/428472793.db2.gz OGYMFBNZOWRXEI-GOSISDBHSA-N 2 1 301.478 2.629 20 0 DFADMP CC1(C)CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CC[NH2+]CC1 ZINC000390654504 428472798 /nfs/dbraw/zinc/47/27/98/428472798.db2.gz OGYMFBNZOWRXEI-GOSISDBHSA-N 2 1 301.478 2.629 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390564815 428475034 /nfs/dbraw/zinc/47/50/34/428475034.db2.gz OLUQPVVBVFNTGZ-GBESFXJTSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390564815 428475039 /nfs/dbraw/zinc/47/50/39/428475039.db2.gz OLUQPVVBVFNTGZ-GBESFXJTSA-N 2 1 301.478 2.758 20 0 DFADMP OC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000390773601 428475694 /nfs/dbraw/zinc/47/56/94/428475694.db2.gz LHAQDOSBKQSNQO-SFHVURJKSA-N 2 1 302.462 2.793 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)sc2C1 ZINC000414969753 428477103 /nfs/dbraw/zinc/47/71/03/428477103.db2.gz JKQBRAMJOSJEEY-AWEZNQCLSA-N 3 1 322.522 2.531 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC[C@H]3CCC[NH2+]3)sc2C1 ZINC000414969753 428477109 /nfs/dbraw/zinc/47/71/09/428477109.db2.gz JKQBRAMJOSJEEY-AWEZNQCLSA-N 3 1 322.522 2.531 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353535023 428581569 /nfs/dbraw/zinc/58/15/69/428581569.db2.gz VAYZPCGCCUZFGS-VJANTYMQSA-N 2 1 302.462 2.615 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343853602 428582021 /nfs/dbraw/zinc/58/20/21/428582021.db2.gz NTPOEXUJQNFNCK-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343853602 428582028 /nfs/dbraw/zinc/58/20/28/428582028.db2.gz NTPOEXUJQNFNCK-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343853602 428582032 /nfs/dbraw/zinc/58/20/32/428582032.db2.gz NTPOEXUJQNFNCK-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000343853602 428582036 /nfs/dbraw/zinc/58/20/36/428582036.db2.gz NTPOEXUJQNFNCK-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000358245912 428590076 /nfs/dbraw/zinc/59/00/76/428590076.db2.gz IYGHZJJDJQHLMJ-BFYDXBDKSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000358245912 428590082 /nfs/dbraw/zinc/59/00/82/428590082.db2.gz IYGHZJJDJQHLMJ-BFYDXBDKSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[NH2+]1 ZINC000399115718 428533981 /nfs/dbraw/zinc/53/39/81/428533981.db2.gz FWTQJHOOSFBEIN-NBMJBFSESA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H](CC[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415137721 428535210 /nfs/dbraw/zinc/53/52/10/428535210.db2.gz JDIWZYWFNDFCPS-UHOSZYNNSA-N 2 1 314.473 2.881 20 0 DFADMP Cc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C)c1 ZINC000415140304 428536567 /nfs/dbraw/zinc/53/65/67/428536567.db2.gz YOVXERHWEGUWBH-MSOLQXFVSA-N 2 1 300.446 2.504 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353442204 428536868 /nfs/dbraw/zinc/53/68/68/428536868.db2.gz OVFKWKOIZVJVKP-WNRNVDISSA-N 2 1 317.477 2.879 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccsc1 ZINC000353449747 428540499 /nfs/dbraw/zinc/54/04/99/428540499.db2.gz SFWZOGTYMAJWSR-YLFCFFPRSA-N 2 1 307.507 2.813 20 0 DFADMP CCc1nc(NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)cc(C)[nH+]1 ZINC000343244606 428540888 /nfs/dbraw/zinc/54/08/88/428540888.db2.gz ATBOJFYLHPETOV-TZMCWYRMSA-N 2 1 302.422 3.482 20 0 DFADMP c1cncc(C[N@H+]2CCC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000373300323 428542735 /nfs/dbraw/zinc/54/27/35/428542735.db2.gz AVFUEQPAGGQQLV-SJORKVTESA-N 2 1 305.491 2.636 20 0 DFADMP c1cncc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000373300323 428542742 /nfs/dbraw/zinc/54/27/42/428542742.db2.gz AVFUEQPAGGQQLV-SJORKVTESA-N 2 1 305.491 2.636 20 0 DFADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400349918 428542967 /nfs/dbraw/zinc/54/29/67/428542967.db2.gz MDZJGNRLVGRMSP-PANBIXPWSA-N 2 1 313.489 2.912 20 0 DFADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000361173125 428543435 /nfs/dbraw/zinc/54/34/35/428543435.db2.gz AVSNHEQSLUZTDZ-IAGOWNOFSA-N 2 1 317.477 2.541 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400356611 428544143 /nfs/dbraw/zinc/54/41/43/428544143.db2.gz AHEHUIWLCUQNIB-HIFRSBDPSA-N 2 1 322.453 2.569 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000373307834 428544427 /nfs/dbraw/zinc/54/44/27/428544427.db2.gz YUQFZXWQPNVHIN-MAUKXSAKSA-N 2 1 318.465 2.702 20 0 DFADMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@@H]1CCC[NH2+]1 ZINC000400514514 428547138 /nfs/dbraw/zinc/54/71/38/428547138.db2.gz GCIRKPNSHMPPIB-AEFFLSMTSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@H]2CCC[C@@H]21 ZINC000353465211 428550493 /nfs/dbraw/zinc/55/04/93/428550493.db2.gz WGUKKGQZIQYCIG-PMPSAXMXSA-N 2 1 318.852 2.950 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@H]2CCC[C@@H]21 ZINC000353465211 428550500 /nfs/dbraw/zinc/55/05/00/428550500.db2.gz WGUKKGQZIQYCIG-PMPSAXMXSA-N 2 1 318.852 2.950 20 0 DFADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000358287151 428594189 /nfs/dbraw/zinc/59/41/89/428594189.db2.gz IWDPROZZPLWYII-BRWVUGGUSA-N 2 1 302.466 2.538 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000353489944 428561863 /nfs/dbraw/zinc/56/18/63/428561863.db2.gz QKDBLTHIQFIBQZ-MNEFBYGVSA-N 2 1 302.462 2.505 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373386686 428563238 /nfs/dbraw/zinc/56/32/38/428563238.db2.gz IDFZIVWYMJEBQJ-DLBZAZTESA-N 2 1 310.445 2.897 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373386686 428563243 /nfs/dbraw/zinc/56/32/43/428563243.db2.gz IDFZIVWYMJEBQJ-DLBZAZTESA-N 2 1 310.445 2.897 20 0 DFADMP CCN(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+])C1CCCCC1 ZINC000404371340 428567933 /nfs/dbraw/zinc/56/79/33/428567933.db2.gz QZSMXZPGERYQLI-NVXWUHKLSA-N 2 1 309.498 2.617 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1OC ZINC000404365833 428568598 /nfs/dbraw/zinc/56/85/98/428568598.db2.gz HFSYXSWCEBVHKL-XJKSGUPXSA-N 2 1 306.450 2.962 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1C ZINC000404403288 428569686 /nfs/dbraw/zinc/56/96/86/428569686.db2.gz SNQYBEHONDOIBZ-YOEHRIQHSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c1C ZINC000404403288 428569693 /nfs/dbraw/zinc/56/96/93/428569693.db2.gz SNQYBEHONDOIBZ-YOEHRIQHSA-N 2 1 303.450 2.691 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC[N@H+](Cc2ccccc2)C1 ZINC000353521385 428576456 /nfs/dbraw/zinc/57/64/56/428576456.db2.gz RMOHZPWMORYHMG-QRVBRYPASA-N 2 1 320.452 2.741 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC[C@@H]2CCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000353521385 428576459 /nfs/dbraw/zinc/57/64/59/428576459.db2.gz RMOHZPWMORYHMG-QRVBRYPASA-N 2 1 320.452 2.741 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441580 428578959 /nfs/dbraw/zinc/57/89/59/428578959.db2.gz PCPAZOPTUVCFJF-YTQUADARSA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441580 428578964 /nfs/dbraw/zinc/57/89/64/428578964.db2.gz PCPAZOPTUVCFJF-YTQUADARSA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441580 428578968 /nfs/dbraw/zinc/57/89/68/428578968.db2.gz PCPAZOPTUVCFJF-YTQUADARSA-N 2 1 304.478 2.785 20 0 DFADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000373528794 428597923 /nfs/dbraw/zinc/59/79/23/428597923.db2.gz JSZMJGXXXTWURL-GVDBMIGSSA-N 2 1 312.498 2.528 20 0 DFADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000373528795 428598164 /nfs/dbraw/zinc/59/81/64/428598164.db2.gz JSZMJGXXXTWURL-IXDOHACOSA-N 2 1 312.498 2.528 20 0 DFADMP CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000361802351 428598335 /nfs/dbraw/zinc/59/83/35/428598335.db2.gz BEZBPSXQGIMLEC-HIFRSBDPSA-N 2 1 308.857 2.809 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353564753 428598359 /nfs/dbraw/zinc/59/83/59/428598359.db2.gz IGSKHBKBUSUWMI-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353564753 428598363 /nfs/dbraw/zinc/59/83/63/428598363.db2.gz IGSKHBKBUSUWMI-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000353564753 428598370 /nfs/dbraw/zinc/59/83/70/428598370.db2.gz IGSKHBKBUSUWMI-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000353564753 428598376 /nfs/dbraw/zinc/59/83/76/428598376.db2.gz IGSKHBKBUSUWMI-HKUYNNGSSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1cc(Cl)ccc1C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344030239 428611161 /nfs/dbraw/zinc/61/11/61/428611161.db2.gz OFZPDWANQXNVRX-UHFFFAOYSA-N 2 1 311.901 2.964 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cc(Cl)ccc1F)CC[NH+](C)C ZINC000344036363 428615158 /nfs/dbraw/zinc/61/51/58/428615158.db2.gz SOWDBCCASKJDTI-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000353614484 428623539 /nfs/dbraw/zinc/62/35/39/428623539.db2.gz XLXUPGOFNAIDFU-SIXWZSSISA-N 2 1 316.493 2.900 20 0 DFADMP C[N@H+](CC[NH2+]C1CCN(c2nccs2)CC1)C1CCCCC1 ZINC000358665754 428625495 /nfs/dbraw/zinc/62/54/95/428625495.db2.gz OINGAEHTNKTZSN-UHFFFAOYSA-N 2 1 322.522 2.966 20 0 DFADMP C[N@@H+](CC[NH2+]C1CCN(c2nccs2)CC1)C1CCCCC1 ZINC000358665754 428625500 /nfs/dbraw/zinc/62/55/00/428625500.db2.gz OINGAEHTNKTZSN-UHFFFAOYSA-N 2 1 322.522 2.966 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000415931353 428631431 /nfs/dbraw/zinc/63/14/31/428631431.db2.gz KVOPLNSOXIGGPW-IRXDYDNUSA-N 2 1 316.449 2.544 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353629463 428631651 /nfs/dbraw/zinc/63/16/51/428631651.db2.gz FZDCIJNGKKMXPV-GUDVDZBRSA-N 2 1 318.461 2.674 20 0 DFADMP C[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@H]1C ZINC000415972149 428637160 /nfs/dbraw/zinc/63/71/60/428637160.db2.gz HJMYADQIENVQHR-KGLIPLIRSA-N 2 1 304.438 2.530 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1O ZINC000353651680 428639017 /nfs/dbraw/zinc/63/90/17/428639017.db2.gz DEBNZVNZDJDAFC-LSDHHAIUSA-N 2 1 322.449 2.552 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1O ZINC000353651680 428639019 /nfs/dbraw/zinc/63/90/19/428639019.db2.gz DEBNZVNZDJDAFC-LSDHHAIUSA-N 2 1 322.449 2.552 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358725058 428643372 /nfs/dbraw/zinc/64/33/72/428643372.db2.gz OGGCLMVYSCFMNR-NJAFHUGGSA-N 2 1 322.518 2.743 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358725058 428643376 /nfs/dbraw/zinc/64/33/76/428643376.db2.gz OGGCLMVYSCFMNR-NJAFHUGGSA-N 2 1 322.518 2.743 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)[C@H]2CCC[C@@H]21 ZINC000353647230 428635292 /nfs/dbraw/zinc/63/52/92/428635292.db2.gz QZHVPNOTLKDBGF-NEWSRXKRSA-N 2 1 324.472 3.109 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000415952858 428635364 /nfs/dbraw/zinc/63/53/64/428635364.db2.gz KNGKBODDJGARQY-WMLDXEAASA-N 2 1 318.465 2.646 20 0 DFADMP CCN(C)C(=O)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000358735542 428649828 /nfs/dbraw/zinc/64/98/28/428649828.db2.gz JDSBWVJGJQVUGU-UHFFFAOYSA-N 2 1 311.514 2.545 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358725054 274177829 /nfs/dbraw/zinc/17/78/29/274177829.db2.gz OGGCLMVYSCFMNR-JQHSSLGASA-N 2 1 322.518 2.743 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358725054 274177831 /nfs/dbraw/zinc/17/78/31/274177831.db2.gz OGGCLMVYSCFMNR-JQHSSLGASA-N 2 1 322.518 2.743 20 0 DFADMP Cn1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c2ccccc21 ZINC000353676372 428653236 /nfs/dbraw/zinc/65/32/36/428653236.db2.gz XQOWQKFPOSAIIG-UWWQBHOKSA-N 2 1 312.461 2.578 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000362192963 428656042 /nfs/dbraw/zinc/65/60/42/428656042.db2.gz XIZSRBZJIDFEJW-INIZCTEOSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)C)C1 ZINC000362192963 428656047 /nfs/dbraw/zinc/65/60/47/428656047.db2.gz XIZSRBZJIDFEJW-INIZCTEOSA-N 2 1 307.438 2.635 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1 ZINC000362217162 428664744 /nfs/dbraw/zinc/66/47/44/428664744.db2.gz FQAPGUSJBBXVRF-SJLPKXTDSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000362217162 428664748 /nfs/dbraw/zinc/66/47/48/428664748.db2.gz FQAPGUSJBBXVRF-SJLPKXTDSA-N 2 1 321.509 2.725 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000344505871 428668860 /nfs/dbraw/zinc/66/88/60/428668860.db2.gz BCNSVOJCOCVNPZ-XMTFNYHQSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480954 274340503 /nfs/dbraw/zinc/34/05/03/274340503.db2.gz CQXJHWSMZOMVMV-VMUDFCTBSA-N 2 1 323.431 2.862 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000152769542 274392424 /nfs/dbraw/zinc/39/24/24/274392424.db2.gz HXXGADDQAFIHTP-VYDXJSESSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348307043 428703429 /nfs/dbraw/zinc/70/34/29/428703429.db2.gz PZCMJPQESLBOKH-MGPQQGTHSA-N 2 1 308.388 2.950 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC2(F)CCC2)[C@@H](C)C1 ZINC000348326289 428708497 /nfs/dbraw/zinc/70/84/97/428708497.db2.gz MMQFGGQWEZKCEJ-JKSUJKDBSA-N 2 1 300.462 2.995 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)cc1)C(C)C ZINC000416300144 428711654 /nfs/dbraw/zinc/71/16/54/428711654.db2.gz HXEXJTQVZZTNFM-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP COc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)c(C)c1OC ZINC000348358792 428717258 /nfs/dbraw/zinc/71/72/58/428717258.db2.gz QHCTZAJHJWMTLP-UHFFFAOYSA-N 2 1 306.450 2.930 20 0 DFADMP COc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)c(C)c1OC ZINC000348358792 428717262 /nfs/dbraw/zinc/71/72/62/428717262.db2.gz QHCTZAJHJWMTLP-UHFFFAOYSA-N 2 1 306.450 2.930 20 0 DFADMP COc1cccc2c1ncc(C)c2NCC[N@@H+]1CCOC[C@H]1C ZINC000344932117 428724393 /nfs/dbraw/zinc/72/43/93/428724393.db2.gz BEBXTGCKOQAMOS-CQSZACIVSA-N 2 1 315.417 2.684 20 0 DFADMP COc1cccc2c1ncc(C)c2NCC[N@H+]1CCOC[C@H]1C ZINC000344932117 428724398 /nfs/dbraw/zinc/72/43/98/428724398.db2.gz BEBXTGCKOQAMOS-CQSZACIVSA-N 2 1 315.417 2.684 20 0 DFADMP Cc1cccc(OC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)n1 ZINC000374664092 428725161 /nfs/dbraw/zinc/72/51/61/428725161.db2.gz NOCPZBVGIASTDV-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1cccc(OC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000374664092 428725168 /nfs/dbraw/zinc/72/51/68/428725168.db2.gz NOCPZBVGIASTDV-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C[C@H]1n1ccnc1 ZINC000348269666 428687603 /nfs/dbraw/zinc/68/76/03/428687603.db2.gz VIRHPBXPZIOYAE-MAUKXSAKSA-N 2 1 311.429 2.944 20 0 DFADMP C[C@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348275510 428688564 /nfs/dbraw/zinc/68/85/64/428688564.db2.gz CJYILLYTKWUTLQ-BPIHKTFHSA-N 2 1 301.478 2.722 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000353745656 428688784 /nfs/dbraw/zinc/68/87/84/428688784.db2.gz IGYRGTNRUONHCT-HOCLYGCPSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000353745656 428688790 /nfs/dbraw/zinc/68/87/90/428688790.db2.gz IGYRGTNRUONHCT-HOCLYGCPSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000353745656 428688801 /nfs/dbraw/zinc/68/88/01/428688801.db2.gz IGYRGTNRUONHCT-HOCLYGCPSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000353745656 428688808 /nfs/dbraw/zinc/68/88/08/428688808.db2.gz IGYRGTNRUONHCT-HOCLYGCPSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000353745656 428688812 /nfs/dbraw/zinc/68/88/12/428688812.db2.gz IGYRGTNRUONHCT-HOCLYGCPSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000353745656 428688817 /nfs/dbraw/zinc/68/88/17/428688817.db2.gz IGYRGTNRUONHCT-HOCLYGCPSA-N 2 1 306.450 2.927 20 0 DFADMP CC(C)[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000358819919 428690491 /nfs/dbraw/zinc/69/04/91/428690491.db2.gz RYKVUMAVYVNTIY-QZTJIDSGSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000344686348 428694451 /nfs/dbraw/zinc/69/44/51/428694451.db2.gz CAKIGFUBFDDHAJ-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232676 428694463 /nfs/dbraw/zinc/69/44/63/428694463.db2.gz GLKOECDYALDUEP-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP CCOc1c(C[NH2+]CC2=CC[N@@H+](C)CC2)c(C)nn1CC(C)C ZINC000345143948 428770061 /nfs/dbraw/zinc/77/00/61/428770061.db2.gz QJULRJSFDBYBEP-UHFFFAOYSA-N 2 1 320.481 2.598 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000374873484 428770104 /nfs/dbraw/zinc/77/01/04/428770104.db2.gz HNRKHAOIKQQHCH-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)C1 ZINC000374873484 428770108 /nfs/dbraw/zinc/77/01/08/428770108.db2.gz HNRKHAOIKQQHCH-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353899964 428770945 /nfs/dbraw/zinc/77/09/45/428770945.db2.gz IJNCDKYYLJNEKG-QZTJIDSGSA-N 2 1 321.509 2.728 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(C(F)F)CC2)[C@@H](C)C1 ZINC000359005911 428771611 /nfs/dbraw/zinc/77/16/11/428771611.db2.gz WYJSKEVBPUTOSM-KBPBESRZSA-N 2 1 304.425 2.758 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000358936967 428738776 /nfs/dbraw/zinc/73/87/76/428738776.db2.gz MNTCDIDXWOZATQ-GOSISDBHSA-N 2 1 312.461 2.909 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000358936967 428738782 /nfs/dbraw/zinc/73/87/82/428738782.db2.gz MNTCDIDXWOZATQ-GOSISDBHSA-N 2 1 312.461 2.909 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N1CCC(C[NH+]2CCCC2)CC1 ZINC000358941245 428740513 /nfs/dbraw/zinc/74/05/13/428740513.db2.gz YLUCFNCEERBJPY-UHFFFAOYSA-N 2 1 317.433 2.571 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCC[C@H]3C)C2)CC1 ZINC000374964193 428792277 /nfs/dbraw/zinc/79/22/77/428792277.db2.gz PIKOGIWCKXBGFI-GUDVDZBRSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)CC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348443524 428744810 /nfs/dbraw/zinc/74/48/10/428744810.db2.gz XNUXENYAVZGKSU-CWRNSKLLSA-N 2 1 312.404 2.503 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000358952420 428746426 /nfs/dbraw/zinc/74/64/26/428746426.db2.gz LZYGMFCRIRNRBQ-FUHWJXTLSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000353856242 428748763 /nfs/dbraw/zinc/74/87/63/428748763.db2.gz VWNAKZQROPVBBR-KSZLIROESA-N 2 1 321.509 2.582 20 0 DFADMP CC(CC[NH+](C)C[C@@H]1CCCO1)CC[N@@H+](C)C[C@@H]1CCCO1 ZINC000411172779 428750567 /nfs/dbraw/zinc/75/05/67/428750567.db2.gz NAIGNAFJLKHERV-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000375302057 428848956 /nfs/dbraw/zinc/84/89/56/428848956.db2.gz JMOSNRFAQXFTTL-VXGBXAGGSA-N 2 1 320.824 2.853 20 0 DFADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]12 ZINC000411497710 428804969 /nfs/dbraw/zinc/80/49/69/428804969.db2.gz ABBQPJKQLJGTBS-VAMGGRTRSA-N 2 1 314.473 2.875 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000411549051 428815954 /nfs/dbraw/zinc/81/59/54/428815954.db2.gz FZICWRNCRMYDST-OKZBNKHCSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1O ZINC000411562757 428817704 /nfs/dbraw/zinc/81/77/04/428817704.db2.gz BYISKQJHJBYHEL-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC000345263253 428820164 /nfs/dbraw/zinc/82/01/64/428820164.db2.gz NIZIWIYLAKAMEQ-HOTGVXAUSA-N 2 1 320.481 2.729 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccsc3)CC2)CC1 ZINC000354044496 428839245 /nfs/dbraw/zinc/83/92/45/428839245.db2.gz JDGXESAGWWHYSH-UHFFFAOYSA-N 2 1 307.507 2.739 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354191845 428906249 /nfs/dbraw/zinc/90/62/49/428906249.db2.gz RCRYRYFPJORKBD-KRWDZBQOSA-N 2 1 303.450 2.604 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([S@@](C)=O)cc2)C1 ZINC000354102227 428863000 /nfs/dbraw/zinc/86/30/00/428863000.db2.gz ZBLFZMWJXZZFCQ-VGOFRKELSA-N 2 1 320.502 2.588 20 0 DFADMP CCOC(=O)c1coc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000348865287 428863519 /nfs/dbraw/zinc/86/35/19/428863519.db2.gz DFGJSQOBIRAZFW-YIONKMFJSA-N 2 1 306.406 2.513 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359208372 428866539 /nfs/dbraw/zinc/86/65/39/428866539.db2.gz JHTAPKFWEXYTHA-UHFFFAOYSA-N 2 1 303.450 2.509 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]2Cn2ccnc2C)c(C)n1 ZINC000359220236 428872680 /nfs/dbraw/zinc/87/26/80/428872680.db2.gz FWEMJRFNCSCKOW-INIZCTEOSA-N 2 1 314.433 2.877 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)CCC2CC[NH2+]CC2)cc1OC ZINC000359223020 428872893 /nfs/dbraw/zinc/87/28/93/428872893.db2.gz ZDZXYWSAJXUOSQ-UHFFFAOYSA-N 2 1 306.450 2.834 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(OC)nc2C)[C@@H](C)C1 ZINC000359227509 428874636 /nfs/dbraw/zinc/87/46/36/428874636.db2.gz LKFAEHXBTXTNPV-YOEHRIQHSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(OC)nc2C)[C@@H](C)C1 ZINC000359227509 428874641 /nfs/dbraw/zinc/87/46/41/428874641.db2.gz LKFAEHXBTXTNPV-YOEHRIQHSA-N 2 1 305.466 2.869 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(OC)nc2C)[C@@H](C)C1 ZINC000359227509 428874649 /nfs/dbraw/zinc/87/46/49/428874649.db2.gz LKFAEHXBTXTNPV-YOEHRIQHSA-N 2 1 305.466 2.869 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(OC)nc2C)[C@@H](C)C1 ZINC000359227509 428874652 /nfs/dbraw/zinc/87/46/52/428874652.db2.gz LKFAEHXBTXTNPV-YOEHRIQHSA-N 2 1 305.466 2.869 20 0 DFADMP CC(C)[C@@H](CO)[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359229590 428878125 /nfs/dbraw/zinc/87/81/25/428878125.db2.gz YEKSVRWLPDGWJE-LJQANCHMSA-N 2 1 304.478 2.895 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2CCC[N@@H+](CC)C2)CC1 ZINC000354147212 428886950 /nfs/dbraw/zinc/88/69/50/428886950.db2.gz SEQFOETURZKORK-HJOIGYKYSA-N 2 1 310.482 2.820 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(OC)cc1 ZINC000349034693 428905319 /nfs/dbraw/zinc/90/53/19/428905319.db2.gz FGYDQPOWAJKBPR-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP C[C@H](C(=O)N1CCC[C@@H]1C[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411991916 428905494 /nfs/dbraw/zinc/90/54/94/428905494.db2.gz ZELWTJGOGFMVTF-XMTFNYHQSA-N 2 1 321.509 2.725 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)NCC2([NH3+])CCCCCC2)C[C@@H]1C ZINC000418287862 428912731 /nfs/dbraw/zinc/91/27/31/428912731.db2.gz VFXDZHVTSPRXNZ-HOTGVXAUSA-N 2 1 324.513 2.552 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccc(C)s1 ZINC000349077834 428913170 /nfs/dbraw/zinc/91/31/70/428913170.db2.gz QHSBMJZRBLWOPX-INIZCTEOSA-N 2 1 309.523 2.904 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1C ZINC000349077819 428913546 /nfs/dbraw/zinc/91/35/46/428913546.db2.gz QGOHQIUYEAZZQS-IBGZPJMESA-N 2 1 303.494 2.843 20 0 DFADMP CN(CC[N@@H+](C)Cc1cccc2[nH]ccc21)C1CC[NH+](C)CC1 ZINC000349073876 428914137 /nfs/dbraw/zinc/91/41/37/428914137.db2.gz LTYHYVHFLYYZMK-UHFFFAOYSA-N 2 1 314.477 2.626 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375611277 428923311 /nfs/dbraw/zinc/92/33/11/428923311.db2.gz FPNYFQAPYVKZJC-OAHLLOKOSA-N 2 1 301.438 2.663 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375611277 428923318 /nfs/dbraw/zinc/92/33/18/428923318.db2.gz FPNYFQAPYVKZJC-OAHLLOKOSA-N 2 1 301.438 2.663 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000349117045 428924708 /nfs/dbraw/zinc/92/47/08/428924708.db2.gz JDLCVQAQLZPDEG-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000349117045 428924713 /nfs/dbraw/zinc/92/47/13/428924713.db2.gz JDLCVQAQLZPDEG-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000349117045 428924721 /nfs/dbraw/zinc/92/47/21/428924721.db2.gz JDLCVQAQLZPDEG-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)C2CCC(C)CC2)C[C@@H]1C ZINC000354224925 428925757 /nfs/dbraw/zinc/92/57/57/428925757.db2.gz OWZZDQNQRVNIAM-JYSRZZCRSA-N 2 1 323.525 2.828 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)CC2CCCCC2)C[C@@H]1C ZINC000354224551 428926785 /nfs/dbraw/zinc/92/67/85/428926785.db2.gz RWOAOUFJFZVEOR-FUHWJXTLSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCC2=CCCCC2)C[C@@H]1C ZINC000354226402 428928308 /nfs/dbraw/zinc/92/83/08/428928308.db2.gz VZTGZGVLUAKXFN-FUHWJXTLSA-N 2 1 321.509 2.798 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@@H](O)CCC(C)C)C2)c1 ZINC000375638898 428929790 /nfs/dbraw/zinc/92/97/90/428929790.db2.gz KRDJBNVJPOGOHG-IRXDYDNUSA-N 2 1 305.466 2.921 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@@H](O)CCC(C)C)C2)c1 ZINC000375638898 428929798 /nfs/dbraw/zinc/92/97/98/428929798.db2.gz KRDJBNVJPOGOHG-IRXDYDNUSA-N 2 1 305.466 2.921 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2CCC)CC1 ZINC000349146215 428929795 /nfs/dbraw/zinc/92/97/95/428929795.db2.gz VQOLPDICSWZSML-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC000349146215 428929799 /nfs/dbraw/zinc/92/97/99/428929799.db2.gz VQOLPDICSWZSML-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC000349146215 428929808 /nfs/dbraw/zinc/92/98/08/428929808.db2.gz VQOLPDICSWZSML-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc([S@@](C)=O)cc3)C2)CC1 ZINC000349178790 428934977 /nfs/dbraw/zinc/93/49/77/428934977.db2.gz BNWPZPDBLMWPMI-VGOFRKELSA-N 2 1 320.502 2.588 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000345567701 428939490 /nfs/dbraw/zinc/93/94/90/428939490.db2.gz KPSZCVGXQKJJHD-HNNXBMFYSA-N 2 1 320.481 2.585 20 0 DFADMP OC[C@H]1C[N@@H+](CCC[NH+]2CCCCC2)CC[C@H]1c1ccccc1 ZINC000375676477 428940116 /nfs/dbraw/zinc/94/01/16/428940116.db2.gz GPVMTJHRYKVPFX-UXHICEINSA-N 2 1 316.489 2.960 20 0 DFADMP CCn1cc(CC[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000375674376 428940914 /nfs/dbraw/zinc/94/09/14/428940914.db2.gz JMCVOLYCCKPDOK-MRXNPFEDSA-N 2 1 313.449 2.583 20 0 DFADMP CCn1cc(CC[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000375674376 428940918 /nfs/dbraw/zinc/94/09/18/428940918.db2.gz JMCVOLYCCKPDOK-MRXNPFEDSA-N 2 1 313.449 2.583 20 0 DFADMP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000363572903 428946510 /nfs/dbraw/zinc/94/65/10/428946510.db2.gz KXXUILVPPDCKJD-SXLOBPIMSA-N 2 1 324.472 2.772 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000363572903 428946530 /nfs/dbraw/zinc/94/65/30/428946530.db2.gz KXXUILVPPDCKJD-SXLOBPIMSA-N 2 1 324.472 2.772 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@@H]2C1 ZINC000363572903 428946536 /nfs/dbraw/zinc/94/65/36/428946536.db2.gz KXXUILVPPDCKJD-SXLOBPIMSA-N 2 1 324.472 2.772 20 0 DFADMP CCc1ccccc1CC[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000375724716 428953133 /nfs/dbraw/zinc/95/31/33/428953133.db2.gz MSIXTJBEYGJKID-FQEVSTJZSA-N 2 1 315.505 2.503 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767882 428966440 /nfs/dbraw/zinc/96/64/40/428966440.db2.gz KGFDCCRHBYXEJK-IAGOWNOFSA-N 2 1 323.481 2.558 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767882 428966444 /nfs/dbraw/zinc/96/64/44/428966444.db2.gz KGFDCCRHBYXEJK-IAGOWNOFSA-N 2 1 323.481 2.558 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767882 428966446 /nfs/dbraw/zinc/96/64/46/428966446.db2.gz KGFDCCRHBYXEJK-IAGOWNOFSA-N 2 1 323.481 2.558 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767882 428966450 /nfs/dbraw/zinc/96/64/50/428966450.db2.gz KGFDCCRHBYXEJK-IAGOWNOFSA-N 2 1 323.481 2.558 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCC[C@@H]1COC(=O)N1CCCC1 ZINC000375767882 428966455 /nfs/dbraw/zinc/96/64/55/428966455.db2.gz KGFDCCRHBYXEJK-IAGOWNOFSA-N 2 1 323.481 2.558 20 0 DFADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000354327526 428970354 /nfs/dbraw/zinc/97/03/54/428970354.db2.gz HHFHRKJRURTXOA-BZSNNMDCSA-N 2 1 323.525 2.768 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N(C)C[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421711683 429019561 /nfs/dbraw/zinc/01/95/61/429019561.db2.gz PBWBYKVACPYAHC-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000433359690 429027560 /nfs/dbraw/zinc/02/75/60/429027560.db2.gz CWFAXQRUFSYDMT-JQHSSLGASA-N 2 1 321.509 2.773 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000433376660 429029847 /nfs/dbraw/zinc/02/98/47/429029847.db2.gz JXSRCANCDIHOFD-QZTJIDSGSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451987077 429032779 /nfs/dbraw/zinc/03/27/79/429032779.db2.gz JGNGFUVMVTWKHQ-WMZOPIPTSA-N 2 1 306.425 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000451987077 429032781 /nfs/dbraw/zinc/03/27/81/429032781.db2.gz JGNGFUVMVTWKHQ-WMZOPIPTSA-N 2 1 306.425 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@@H]1CCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000451987077 429032786 /nfs/dbraw/zinc/03/27/86/429032786.db2.gz JGNGFUVMVTWKHQ-WMZOPIPTSA-N 2 1 306.425 2.726 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CCCO1 ZINC000433024403 428981348 /nfs/dbraw/zinc/98/13/48/428981348.db2.gz WYXCKJKYDFLZEQ-OAGGEKHMSA-N 2 1 314.539 2.997 20 0 DFADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375807447 428981901 /nfs/dbraw/zinc/98/19/01/428981901.db2.gz BPRRKQRSKLHUME-HOTGVXAUSA-N 2 1 320.481 2.948 20 0 DFADMP CCCCNC(=O)[C@H](C)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375807447 428981905 /nfs/dbraw/zinc/98/19/05/428981905.db2.gz BPRRKQRSKLHUME-HOTGVXAUSA-N 2 1 320.481 2.948 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc2c(c1)sc(=O)n2C ZINC000349408790 428984863 /nfs/dbraw/zinc/98/48/63/428984863.db2.gz PXRXLLDEKVBQOC-UHFFFAOYSA-N 2 1 321.490 2.764 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc2c(c1)sc(=O)n2C ZINC000349408790 428984865 /nfs/dbraw/zinc/98/48/65/428984865.db2.gz PXRXLLDEKVBQOC-UHFFFAOYSA-N 2 1 321.490 2.764 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(SC)CC2)[C@H](C)C1 ZINC000433084363 428992873 /nfs/dbraw/zinc/99/28/73/428992873.db2.gz SJUGDHXQVLETJS-CABCVRRESA-N 2 1 300.512 2.609 20 0 DFADMP COCC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000375839304 428992959 /nfs/dbraw/zinc/99/29/59/428992959.db2.gz IAOFNYSSUQBNCB-HOTGVXAUSA-N 2 1 303.381 2.704 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375849861 428995926 /nfs/dbraw/zinc/99/59/26/428995926.db2.gz IHBMPLOKAPNBRP-IPMKNSEASA-N 2 1 318.461 2.927 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@H]2CCC[C@H]21 ZINC000375859859 429001424 /nfs/dbraw/zinc/00/14/24/429001424.db2.gz FTGAVHVSFNHVTA-FGTMMUONSA-N 2 1 300.446 2.626 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCC(C(C)C)CC2)CC1 ZINC000433180863 429007473 /nfs/dbraw/zinc/00/74/73/429007473.db2.gz ZCUMZZXGGZXXBW-UHFFFAOYSA-N 2 1 323.525 2.734 20 0 DFADMP COCC[N@@H+](CCC[NH+]1CCCCC1)[C@@H]1CCCSC1 ZINC000433205316 429009988 /nfs/dbraw/zinc/00/99/88/429009988.db2.gz KMKRHSZWOMPRCU-MRXNPFEDSA-N 2 1 300.512 2.706 20 0 DFADMP Cc1cncc(C[N@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)c1 ZINC000375984579 429034566 /nfs/dbraw/zinc/03/45/66/429034566.db2.gz JOVGXMPPPYYGRG-OALUTQOASA-N 2 1 310.445 2.910 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@H]2CCC[C@@H]21 ZINC000375898370 429011624 /nfs/dbraw/zinc/01/16/24/429011624.db2.gz RRDLMKASRWLVBO-SQNIBIBYSA-N 2 1 302.462 2.876 20 0 DFADMP Cc1cncc(CN(C)C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)c1 ZINC000375984579 429034572 /nfs/dbraw/zinc/03/45/72/429034572.db2.gz JOVGXMPPPYYGRG-OALUTQOASA-N 2 1 310.445 2.910 20 0 DFADMP Cc1cncc(CN(C)C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)c1 ZINC000375984579 429034574 /nfs/dbraw/zinc/03/45/74/429034574.db2.gz JOVGXMPPPYYGRG-OALUTQOASA-N 2 1 310.445 2.910 20 0 DFADMP CC(C)[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000354842373 429012478 /nfs/dbraw/zinc/01/24/78/429012478.db2.gz WEYSAOGTWXPOHN-SFHVURJKSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)s1 ZINC000375906365 429013828 /nfs/dbraw/zinc/01/38/28/429013828.db2.gz OWXHQGBJIKWHHP-GOSISDBHSA-N 2 1 321.534 2.965 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C12CCCC2 ZINC000423467364 429091772 /nfs/dbraw/zinc/09/17/72/429091772.db2.gz DTEGRCLCKDDVKJ-HZSPNIEDSA-N 2 1 302.409 2.559 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423471550 429092233 /nfs/dbraw/zinc/09/22/33/429092233.db2.gz HISBJNLFWOOBAJ-XJKSGUPXSA-N 2 1 310.388 2.907 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423463078 429092542 /nfs/dbraw/zinc/09/25/42/429092542.db2.gz AJXFLTKNACMFLZ-OIISXLGYSA-N 2 1 324.415 2.989 20 0 DFADMP CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423471675 429092935 /nfs/dbraw/zinc/09/29/35/429092935.db2.gz PVDULXPOVAPDHH-CADBVGFASA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1[C@@H](N[C@H]2C[NH2+]CCC2(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000423470439 429093324 /nfs/dbraw/zinc/09/33/24/429093324.db2.gz DKDUCCJGWJLQBW-PVAVHDDUSA-N 2 1 323.431 2.626 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423477358 429094805 /nfs/dbraw/zinc/09/48/05/429094805.db2.gz TVDCUVVKGLKICV-NOZJJQNGSA-N 2 1 301.203 2.902 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(Cl)cc1 ZINC000423475899 429095408 /nfs/dbraw/zinc/09/54/08/429095408.db2.gz KTVLHOVCFYTKHN-OCCSQVGLSA-N 2 1 318.795 2.862 20 0 DFADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424132926 429095849 /nfs/dbraw/zinc/09/58/49/429095849.db2.gz LHOSIQXGDQRPEM-DLBZAZTESA-N 2 1 309.498 2.522 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452008188 429037632 /nfs/dbraw/zinc/03/76/32/429037632.db2.gz SHXQDQUQGYTWQC-MSOLQXFVSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1C[C@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452008188 429037637 /nfs/dbraw/zinc/03/76/37/429037637.db2.gz SHXQDQUQGYTWQC-MSOLQXFVSA-N 2 1 318.461 2.607 20 0 DFADMP COC1([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCC1 ZINC000421844934 429039523 /nfs/dbraw/zinc/03/95/23/429039523.db2.gz PCIKPIGVBQKPGS-IXDOHACOSA-N 2 1 312.498 2.813 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000376020275 429043086 /nfs/dbraw/zinc/04/30/86/429043086.db2.gz UZQFJIYXJSYDPP-INIZCTEOSA-N 2 1 321.428 2.729 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCCS2 ZINC000423489447 429096531 /nfs/dbraw/zinc/09/65/31/429096531.db2.gz FZUQRTLAMWWHOF-HOCLYGCPSA-N 2 1 322.474 2.590 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1cccs1)C1(CO)CCC1 ZINC000452061947 429043667 /nfs/dbraw/zinc/04/36/67/429043667.db2.gz QXAHFEVRFABCAB-OAHLLOKOSA-N 2 1 305.447 2.747 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000376063159 429050475 /nfs/dbraw/zinc/05/04/75/429050475.db2.gz XZLJNIBBYZUUKM-GVDBMIGSSA-N 2 1 317.433 2.827 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423904477 429052805 /nfs/dbraw/zinc/05/28/05/429052805.db2.gz OHWCMTDKADHFAN-JZXOWHBKSA-N 2 1 317.477 2.531 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423281448 429055654 /nfs/dbraw/zinc/05/56/54/429055654.db2.gz VNRLCKRGWKTMTR-GHMZBOCLSA-N 2 1 300.830 2.863 20 0 DFADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1ccc(F)cc1 ZINC000452095029 429055743 /nfs/dbraw/zinc/05/57/43/429055743.db2.gz KKDFOHXESNIAHO-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423277456 429056121 /nfs/dbraw/zinc/05/61/21/429056121.db2.gz OCUMQFLIRHNWRP-LRDDRELGSA-N 2 1 304.438 2.604 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423285679 429058797 /nfs/dbraw/zinc/05/87/97/429058797.db2.gz ZNCRZESJTLLCJC-UHZRXMQZSA-N 2 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423285679 429058802 /nfs/dbraw/zinc/05/88/02/429058802.db2.gz ZNCRZESJTLLCJC-UHZRXMQZSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423285679 429058806 /nfs/dbraw/zinc/05/88/06/429058806.db2.gz ZNCRZESJTLLCJC-UHZRXMQZSA-N 3 1 313.489 2.899 20 0 DFADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423311070 429060555 /nfs/dbraw/zinc/06/05/55/429060555.db2.gz BHIHDBRSGSIOQL-RTBURBONSA-N 2 1 311.429 2.701 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1Oc1ccccc1 ZINC000423297033 429060954 /nfs/dbraw/zinc/06/09/54/429060954.db2.gz IKVXYWIBVUHQHO-VDHUWJSZSA-N 2 1 306.450 2.719 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3(C[NH3+])CC3)cc2)C1 ZINC000423322792 429061965 /nfs/dbraw/zinc/06/19/65/429061965.db2.gz HADXDHCBYYFMLS-HNNXBMFYSA-N 2 1 315.461 2.986 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000452119589 429063210 /nfs/dbraw/zinc/06/32/10/429063210.db2.gz QHQLAWVJMJHFSY-GOSISDBHSA-N 2 1 307.457 2.672 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000452119589 429063214 /nfs/dbraw/zinc/06/32/14/429063214.db2.gz QHQLAWVJMJHFSY-GOSISDBHSA-N 2 1 307.457 2.672 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000452119589 429063216 /nfs/dbraw/zinc/06/32/16/429063216.db2.gz QHQLAWVJMJHFSY-GOSISDBHSA-N 2 1 307.457 2.672 20 0 DFADMP C[N@@H+](CCOC1CCC1)C1CCN(CCC(F)(F)F)CC1 ZINC000452124111 429064489 /nfs/dbraw/zinc/06/44/89/429064489.db2.gz XHQMPSWMAAOETB-UHFFFAOYSA-N 2 1 308.388 2.904 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423324246 429065729 /nfs/dbraw/zinc/06/57/29/429065729.db2.gz AXBKRLNTCAJOPT-OCCSQVGLSA-N 2 1 302.397 2.580 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000424138166 429097099 /nfs/dbraw/zinc/09/70/99/429097099.db2.gz TXNONZIEKUGGIH-KURKYZTESA-N 2 1 321.509 2.807 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]([NH3+])C2CC2)CC1 ZINC000423334532 429067265 /nfs/dbraw/zinc/06/72/65/429067265.db2.gz WQHHXCRKHFUAPU-CTWPCTMYSA-N 3 1 301.478 2.757 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](N)C2CC2)CC1 ZINC000423334532 429067272 /nfs/dbraw/zinc/06/72/72/429067272.db2.gz WQHHXCRKHFUAPU-CTWPCTMYSA-N 2 1 301.478 2.757 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H](N)C2CC2)CC1 ZINC000423334532 429067274 /nfs/dbraw/zinc/06/72/74/429067274.db2.gz WQHHXCRKHFUAPU-CTWPCTMYSA-N 2 1 301.478 2.757 20 0 DFADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[C@@H](C)[NH3+] ZINC000423337676 429067798 /nfs/dbraw/zinc/06/77/98/429067798.db2.gz RGUAQQZCGIKAMO-QAPCUYQASA-N 2 1 319.493 2.762 20 0 DFADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCSCC2)cc1 ZINC000423346880 429069324 /nfs/dbraw/zinc/06/93/24/429069324.db2.gz ZEYFNRRUVDDHSX-SJORKVTESA-N 2 1 306.475 2.626 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncnc(N)c2Cl)C1 ZINC000434098991 429070804 /nfs/dbraw/zinc/07/08/04/429070804.db2.gz GLAOQYTXTISOGZ-YPMHNXCESA-N 2 1 317.824 2.960 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H](Nc2ncnc(N)c2Cl)C1 ZINC000434098991 429070808 /nfs/dbraw/zinc/07/08/08/429070808.db2.gz GLAOQYTXTISOGZ-YPMHNXCESA-N 2 1 317.824 2.960 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423361794 429072098 /nfs/dbraw/zinc/07/20/98/429072098.db2.gz MPIAIXSJBFSYEG-PKOFMYQESA-N 2 1 313.489 2.770 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423359468 429072703 /nfs/dbraw/zinc/07/27/03/429072703.db2.gz KOJHAUTUDNXDAI-KNCOVGOOSA-N 2 1 306.450 2.783 20 0 DFADMP C[C@@H](NCC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423363851 429072732 /nfs/dbraw/zinc/07/27/32/429072732.db2.gz OCQMDXATZKWBIH-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423363851 429072735 /nfs/dbraw/zinc/07/27/35/429072735.db2.gz OCQMDXATZKWBIH-BHIYHBOVSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423363851 429072738 /nfs/dbraw/zinc/07/27/38/429072738.db2.gz OCQMDXATZKWBIH-BHIYHBOVSA-N 3 1 301.478 2.629 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)c(C)c1OC ZINC000423370085 429073325 /nfs/dbraw/zinc/07/33/25/429073325.db2.gz UBUATPMEROMFKM-XEZPLFJOSA-N 2 1 306.450 2.531 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423371993 429073866 /nfs/dbraw/zinc/07/38/66/429073866.db2.gz QSKCRWPSQRZINR-YVWKXTFCSA-N 3 1 315.505 2.942 20 0 DFADMP C[C@H]1[NH2+]CCC[C@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423365532 429074524 /nfs/dbraw/zinc/07/45/24/429074524.db2.gz BVVXVLSFHMFTFQ-MLGOLLRUSA-N 2 1 309.404 2.664 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423364673 429075524 /nfs/dbraw/zinc/07/55/24/429075524.db2.gz CRXQRPNIGBONIC-XLSIIYIISA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423364673 429075530 /nfs/dbraw/zinc/07/55/30/429075530.db2.gz CRXQRPNIGBONIC-XLSIIYIISA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423364673 429075536 /nfs/dbraw/zinc/07/55/36/429075536.db2.gz CRXQRPNIGBONIC-XLSIIYIISA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423377437 429076328 /nfs/dbraw/zinc/07/63/28/429076328.db2.gz YSYSIEGUROAQBC-CABCVRRESA-N 2 1 317.477 2.947 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423375079 429076426 /nfs/dbraw/zinc/07/64/26/429076426.db2.gz IRLYYDXUIVZYSE-BPUTZDHNSA-N 2 1 313.449 2.805 20 0 DFADMP C[NH2+][C@@H](C)C[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423398045 429081078 /nfs/dbraw/zinc/08/10/78/429081078.db2.gz SVXYYMFVBMDVEW-NHYWBVRUSA-N 2 1 311.267 2.968 20 0 DFADMP COC[C@]1(C[NH2+][C@H]2C[C@@H](c3ccccc3)C2(C)C)CCC[NH2+]1 ZINC000423413259 429083242 /nfs/dbraw/zinc/08/32/42/429083242.db2.gz JZNMECJBENNRAN-JENIJYKNSA-N 2 1 302.462 2.927 20 0 DFADMP COC[C@]1(C[NH2+][C@H](C)Cc2coc3ccccc23)CCC[NH2+]1 ZINC000423413236 429083904 /nfs/dbraw/zinc/08/39/04/429083904.db2.gz JVTPRLRUIAUKHM-RDTXWAMCSA-N 2 1 302.418 2.722 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+])C1 ZINC000423409946 429084099 /nfs/dbraw/zinc/08/40/99/429084099.db2.gz RCJAXISKTFOGNM-ARFHVFGLSA-N 2 1 311.514 2.623 20 0 DFADMP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423486712 429097605 /nfs/dbraw/zinc/09/76/05/429097605.db2.gz BYLIMUXTMNSHGK-ABAIWWIYSA-N 2 1 315.244 2.949 20 0 DFADMP COC[C@@]1(C[NH2+][C@H](C)CCc2c(F)cccc2F)CCC[NH2+]1 ZINC000423415687 429085383 /nfs/dbraw/zinc/08/53/83/429085383.db2.gz PEZXVVAZBBVEBI-DYVFJYSZSA-N 2 1 312.404 2.644 20 0 DFADMP COC[C@]1(C[NH2+][C@@H]2C[C@@H](Oc3ccccc3)C2(C)C)CCC[NH2+]1 ZINC000423418072 429085417 /nfs/dbraw/zinc/08/54/17/429085417.db2.gz UDAQLXACZBIQLG-ZHALLVOQSA-N 2 1 318.461 2.591 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000423434556 429087604 /nfs/dbraw/zinc/08/76/04/429087604.db2.gz ODNAUPVQPYXCMJ-HOCLYGCPSA-N 2 1 315.461 2.510 20 0 DFADMP FC(F)(F)Oc1cccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)c1 ZINC000423435791 429087721 /nfs/dbraw/zinc/08/77/21/429087721.db2.gz RUCLIZALUOZYEN-LJISPDSOSA-N 2 1 312.335 2.844 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000423434554 429087806 /nfs/dbraw/zinc/08/78/06/429087806.db2.gz ODNAUPVQPYXCMJ-GDBMZVCRSA-N 2 1 315.461 2.510 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424441778 429143072 /nfs/dbraw/zinc/14/30/72/429143072.db2.gz XDBJNMSNPZBLAM-KRWDZBQOSA-N 2 1 318.465 2.840 20 0 DFADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000494706614 429147733 /nfs/dbraw/zinc/14/77/33/429147733.db2.gz FYCYABOENDIDAF-IUODEOHRSA-N 2 1 311.857 2.576 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000435621861 429152558 /nfs/dbraw/zinc/15/25/58/429152558.db2.gz AUQMVRGNASOKCD-CQSZACIVSA-N 2 1 307.413 2.537 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435610484 429153509 /nfs/dbraw/zinc/15/35/09/429153509.db2.gz JYJDWYIWMZCKCW-SFHVURJKSA-N 2 1 317.477 2.646 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c1 ZINC000435610484 429153514 /nfs/dbraw/zinc/15/35/14/429153514.db2.gz JYJDWYIWMZCKCW-SFHVURJKSA-N 2 1 317.477 2.646 20 0 DFADMP CC[N@@H+](CCCOc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435625353 429155523 /nfs/dbraw/zinc/15/55/23/429155523.db2.gz HMJGGGRTJDVLCG-MRXNPFEDSA-N 2 1 306.450 2.928 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)s1 ZINC000423497331 429098494 /nfs/dbraw/zinc/09/84/94/429098494.db2.gz GNTQTOWPAKXKTK-BXUZGUMPSA-N 2 1 311.495 2.809 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423493861 429099262 /nfs/dbraw/zinc/09/92/62/429099262.db2.gz CGQGNQZLJCDPNL-WAPOTWQKSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000423493861 429099268 /nfs/dbraw/zinc/09/92/68/429099268.db2.gz CGQGNQZLJCDPNL-WAPOTWQKSA-N 2 1 313.489 2.899 20 0 DFADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424140704 429099290 /nfs/dbraw/zinc/09/92/90/429099290.db2.gz WOOCOIGAWYIBFM-MSOLQXFVSA-N 2 1 323.525 2.865 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000423497332 429099610 /nfs/dbraw/zinc/09/96/10/429099610.db2.gz GNTQTOWPAKXKTK-FZMZJTMJSA-N 2 1 311.495 2.809 20 0 DFADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)ccc2c1 ZINC000423504355 429100525 /nfs/dbraw/zinc/10/05/25/429100525.db2.gz FWQMAEJAACNCKT-AUUYWEPGSA-N 2 1 314.429 2.878 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505799 429101342 /nfs/dbraw/zinc/10/13/42/429101342.db2.gz HISVHPZQUXAOHP-DNVCBOLYSA-N 3 1 319.493 2.795 20 0 DFADMP C[C@@H](N[C@H](C[NH3+])C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505799 429101345 /nfs/dbraw/zinc/10/13/45/429101345.db2.gz HISVHPZQUXAOHP-DNVCBOLYSA-N 2 1 319.493 2.795 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423503962 429101653 /nfs/dbraw/zinc/10/16/53/429101653.db2.gz NFOYYQVHSNIRMX-XIRDDKMYSA-N 2 1 310.482 2.996 20 0 DFADMP COc1ccc2cc([C@H](C)[NH2+]C[C@H]3C[NH2+]CCCO3)ccc2c1 ZINC000423504356 429102041 /nfs/dbraw/zinc/10/20/41/429102041.db2.gz FWQMAEJAACNCKT-IFXJQAMLSA-N 2 1 314.429 2.878 20 0 DFADMP c1[nH+]c(C2CC[NH+](CC[C@H]3CCCO3)CC2)n2c1CCCC2 ZINC000434675432 429105210 /nfs/dbraw/zinc/10/52/10/429105210.db2.gz YUZAMKCAHBUSTF-QGZVFWFLSA-N 2 1 303.450 2.968 20 0 DFADMP CC[C@H](c1ccc2c(c1)OCCO2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423515449 429106551 /nfs/dbraw/zinc/10/65/51/429106551.db2.gz VMXCJOLOEZCGJD-DDUZABMNSA-N 2 1 304.434 2.826 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514506 429106677 /nfs/dbraw/zinc/10/66/77/429106677.db2.gz TTZUDALDTPBLMS-SNUQEOBHSA-N 2 1 319.449 2.631 20 0 DFADMP c1cc2c(s1)CCC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423520204 429107183 /nfs/dbraw/zinc/10/71/83/429107183.db2.gz QZZQUUDRNGIYER-DQPZFDDXSA-N 2 1 319.518 2.932 20 0 DFADMP CN1CC[C@@H](C[N@H+](C)CCC(F)(F)F)[C@@H]1c1cccnc1 ZINC000434738562 429108155 /nfs/dbraw/zinc/10/81/55/429108155.db2.gz OKTLEDNIVIAKSO-KBPBESRZSA-N 2 1 301.356 2.959 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)CCC(F)(F)F)[C@@H]1c1cccnc1 ZINC000434738562 429108159 /nfs/dbraw/zinc/10/81/59/429108159.db2.gz OKTLEDNIVIAKSO-KBPBESRZSA-N 2 1 301.356 2.959 20 0 DFADMP CC(C)[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccnc1 ZINC000423525907 429108239 /nfs/dbraw/zinc/10/82/39/429108239.db2.gz YUTLBOGAFGBQHV-CTWPCTMYSA-N 2 1 316.493 2.585 20 0 DFADMP CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424194998 429108695 /nfs/dbraw/zinc/10/86/95/429108695.db2.gz YJZZSEMGSUOIJK-CABCVRRESA-N 2 1 310.482 2.961 20 0 DFADMP CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000424194999 429109619 /nfs/dbraw/zinc/10/96/19/429109619.db2.gz YJZZSEMGSUOIJK-GJZGRUSLSA-N 2 1 310.482 2.961 20 0 DFADMP Clc1ccc2c(c1Cl)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423529248 429110981 /nfs/dbraw/zinc/11/09/81/429110981.db2.gz XMFMNFUEDUIIKA-HZMBPMFUSA-N 2 1 315.244 2.949 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000424251198 429115124 /nfs/dbraw/zinc/11/51/24/429115124.db2.gz XTKYYOPZMKWXSN-OAHLLOKOSA-N 2 1 311.429 2.913 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000424251198 429115126 /nfs/dbraw/zinc/11/51/26/429115126.db2.gz XTKYYOPZMKWXSN-OAHLLOKOSA-N 2 1 311.429 2.913 20 0 DFADMP COC(=O)CC1CC([NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000424273137 429118256 /nfs/dbraw/zinc/11/82/56/429118256.db2.gz VZQRXFCDZNWCLM-RYTJFDOTSA-N 2 1 310.482 2.676 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278712 429119355 /nfs/dbraw/zinc/11/93/55/429119355.db2.gz DYOUDQSAFSPQPL-FUHWJXTLSA-N 2 1 307.457 2.674 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CCOCCOc1ccccc1)CC[NH2+]CC2 ZINC000424295986 429121280 /nfs/dbraw/zinc/12/12/80/429121280.db2.gz RUJCNMHEYASWOA-KRWDZBQOSA-N 2 1 318.461 2.546 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424289105 429121322 /nfs/dbraw/zinc/12/13/22/429121322.db2.gz LOXNYOUMYFNDKM-KRWDZBQOSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1cccc(F)c1)CC[NH2+]CC2 ZINC000424296660 429121385 /nfs/dbraw/zinc/12/13/85/429121385.db2.gz SDOMQLCKLMZZGH-AWEZNQCLSA-N 2 1 319.424 2.618 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424289106 429121658 /nfs/dbraw/zinc/12/16/58/429121658.db2.gz LOXNYOUMYFNDKM-QGZVFWFLSA-N 2 1 323.525 2.591 20 0 DFADMP CO[C@@H](C)c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424292959 429121671 /nfs/dbraw/zinc/12/16/71/429121671.db2.gz OYTZEJKIGLVFTM-STQMWFEESA-N 2 1 309.479 2.815 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CCC(=O)Nc1ccccc1F)CC[NH2+]CC2 ZINC000424299915 429122990 /nfs/dbraw/zinc/12/29/90/429122990.db2.gz WFBJFKQKTAIVQE-AWEZNQCLSA-N 2 1 319.424 2.618 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424303228 429123474 /nfs/dbraw/zinc/12/34/74/429123474.db2.gz NPSAVKFNLLXFKW-DOTOQJQBSA-N 2 1 307.457 2.532 20 0 DFADMP CC(C)(C)[NH2+]CCN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424367179 429131231 /nfs/dbraw/zinc/13/12/31/429131231.db2.gz KRRJLOOBKLQFLD-ZWKOTPCHSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cnc([C@@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370448 429132171 /nfs/dbraw/zinc/13/21/71/429132171.db2.gz CHURAPSMLUVGIT-ZFWWWQNUSA-N 2 1 321.490 2.959 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000435373226 429132475 /nfs/dbraw/zinc/13/24/75/429132475.db2.gz CYMUDYBCVILANL-YOEHRIQHSA-N 2 1 311.429 2.926 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424385152 429133654 /nfs/dbraw/zinc/13/36/54/429133654.db2.gz WABPQFLLTFTBAL-CQSZACIVSA-N 2 1 322.522 2.953 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1ccnn1-c1ccccc1)CC[NH2+]CC2 ZINC000424388033 429133987 /nfs/dbraw/zinc/13/39/87/429133987.db2.gz YZABUWZLXCVNSL-MRXNPFEDSA-N 2 1 310.445 2.836 20 0 DFADMP COc1ccncc1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000376544820 429134118 /nfs/dbraw/zinc/13/41/18/429134118.db2.gz FHHUUJAPMMNGPD-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000435369887 429134676 /nfs/dbraw/zinc/13/46/76/429134676.db2.gz GKAYJBGRKCZYNY-HOCLYGCPSA-N 2 1 308.441 2.944 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435368387 429134806 /nfs/dbraw/zinc/13/48/06/429134806.db2.gz HUIISVGAHGTMSF-MRXNPFEDSA-N 2 1 311.429 2.831 20 0 DFADMP CC[N@@H+](Cc1cccc(OCCOC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435390171 429137303 /nfs/dbraw/zinc/13/73/03/429137303.db2.gz OIFPTRNWEUUKLQ-QGZVFWFLSA-N 2 1 306.450 2.676 20 0 DFADMP CC[N@@H+](Cc1ccc(-n2cncn2)c(C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435381874 429137397 /nfs/dbraw/zinc/13/73/97/429137397.db2.gz WJDIHKQCQYNKCB-KRWDZBQOSA-N 2 1 313.449 2.540 20 0 DFADMP Cn1cncc1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435434511 429142084 /nfs/dbraw/zinc/14/20/84/429142084.db2.gz YMOUXMLEZMRTCA-INIZCTEOSA-N 2 1 316.474 2.626 20 0 DFADMP Cn1cncc1C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000435434511 429142086 /nfs/dbraw/zinc/14/20/86/429142086.db2.gz YMOUXMLEZMRTCA-INIZCTEOSA-N 2 1 316.474 2.626 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424437818 429142232 /nfs/dbraw/zinc/14/22/32/429142232.db2.gz OTNDUMGYRFCZGW-WMLDXEAASA-N 2 1 318.465 2.790 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424436784 429142339 /nfs/dbraw/zinc/14/23/39/429142339.db2.gz NFAWEAHUBDWTJQ-OAHLLOKOSA-N 2 1 318.465 2.649 20 0 DFADMP COCCCCC[N@@H+](C)C1CCN(CCc2ccncc2)CC1 ZINC000364035973 429160805 /nfs/dbraw/zinc/16/08/05/429160805.db2.gz RFHPZWUIWMFYDF-UHFFFAOYSA-N 2 1 319.493 2.837 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)[C@@H]1C ZINC000494994654 429171277 /nfs/dbraw/zinc/17/12/77/429171277.db2.gz ILZXPFHFEPKWTQ-RGCFKVTRSA-N 2 1 302.462 2.777 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)c1 ZINC000494900463 429163002 /nfs/dbraw/zinc/16/30/02/429163002.db2.gz AKFWLUVYMXAEFR-QGZVFWFLSA-N 2 1 317.477 2.674 20 0 DFADMP CCSCC[N@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435691789 429159220 /nfs/dbraw/zinc/15/92/20/429159220.db2.gz HYYBQDOSDMGACQ-HNNXBMFYSA-N 2 1 322.522 2.600 20 0 DFADMP CCSCC[N@@H+](Cc1nccn1CC)[C@H]1CC12CC[NH2+]CC2 ZINC000435691789 429159225 /nfs/dbraw/zinc/15/92/25/429159225.db2.gz HYYBQDOSDMGACQ-HNNXBMFYSA-N 2 1 322.522 2.600 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000487527293 429159243 /nfs/dbraw/zinc/15/92/43/429159243.db2.gz ZVLZRWGYNIMVTM-RISCZKNCSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000487527293 429159245 /nfs/dbraw/zinc/15/92/45/429159245.db2.gz ZVLZRWGYNIMVTM-RISCZKNCSA-N 2 1 309.841 2.538 20 0 DFADMP c1ccc2c(c1)C[C@@H]1C[N@@H+](CCC[NH+]3CCCCC3)CCCN21 ZINC000289586708 275070449 /nfs/dbraw/zinc/07/04/49/275070449.db2.gz WVIXTIGGLREUKA-LJQANCHMSA-N 2 1 313.489 2.999 20 0 DFADMP CC(C)[NH+]1CCC(N(C)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000435940458 429172045 /nfs/dbraw/zinc/17/20/45/429172045.db2.gz RCPMAFXVJKIAMQ-XHSDSOJGSA-N 2 1 309.498 2.579 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCCCC(F)(F)C2)CC1 ZINC000495024219 429172970 /nfs/dbraw/zinc/17/29/70/429172970.db2.gz CJQMTQHIFKKEEK-CQSZACIVSA-N 2 1 304.425 2.902 20 0 DFADMP C[C@H](CC[NH2+][C@H]1CCC(=O)NC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000495077927 429177324 /nfs/dbraw/zinc/17/73/24/429177324.db2.gz GVAZFJYKPRBZKR-WBVHZDCISA-N 2 1 317.477 2.544 20 0 DFADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000364608650 429232383 /nfs/dbraw/zinc/23/23/83/429232383.db2.gz RGVJWORULFJWCK-BLLLJJGKSA-N 2 1 301.821 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccnc1 ZINC000364449178 429205490 /nfs/dbraw/zinc/20/54/90/429205490.db2.gz ROEBJJYZGWFVHJ-CWLKWCNXSA-N 2 1 303.450 2.622 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cccnc1 ZINC000364449178 429205496 /nfs/dbraw/zinc/20/54/96/429205496.db2.gz ROEBJJYZGWFVHJ-CWLKWCNXSA-N 2 1 303.450 2.622 20 0 DFADMP Clc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000364608652 429233029 /nfs/dbraw/zinc/23/30/29/429233029.db2.gz RGVJWORULFJWCK-MLGOLLRUSA-N 2 1 301.821 2.856 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1(C)C ZINC000442881352 429238292 /nfs/dbraw/zinc/23/82/92/429238292.db2.gz ZFVZOWRBLBOZOX-SFHVURJKSA-N 2 1 319.468 2.819 20 0 DFADMP COC1(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000364762757 429263498 /nfs/dbraw/zinc/26/34/98/429263498.db2.gz BXKWHDUYGNSBJI-ZBFHGGJFSA-N 2 1 324.490 2.526 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000425343017 429269682 /nfs/dbraw/zinc/26/96/82/429269682.db2.gz HWJAWZXYFZDLJU-OKZBNKHCSA-N 2 1 320.502 2.627 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000449109988 429335395 /nfs/dbraw/zinc/33/53/95/429335395.db2.gz ZYMVYFBOLQMZJU-HNNXBMFYSA-N 2 1 309.498 2.534 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC000365545417 429338306 /nfs/dbraw/zinc/33/83/06/429338306.db2.gz KDAAARJUWPBYHQ-CQSZACIVSA-N 2 1 307.401 2.625 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc2ccoc21 ZINC000449146013 429343871 /nfs/dbraw/zinc/34/38/71/429343871.db2.gz AZRDAIDCXJOMOL-KRWDZBQOSA-N 2 1 302.418 2.759 20 0 DFADMP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000425415827 429291570 /nfs/dbraw/zinc/29/15/70/429291570.db2.gz FVYGLUJEYNXFLD-YSIASYRMSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000425415827 429291574 /nfs/dbraw/zinc/29/15/74/429291574.db2.gz FVYGLUJEYNXFLD-YSIASYRMSA-N 2 1 314.473 2.539 20 0 DFADMP CO[C@@H](C[N@@H+](C)[C@@H]1CCC[NH+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425787 429293536 /nfs/dbraw/zinc/29/35/36/429293536.db2.gz UWFRSDZTODFGGS-CEXWTWQISA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@@H](C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425787 429293540 /nfs/dbraw/zinc/29/35/40/429293540.db2.gz UWFRSDZTODFGGS-CEXWTWQISA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@@H](C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425787 429293542 /nfs/dbraw/zinc/29/35/42/429293542.db2.gz UWFRSDZTODFGGS-CEXWTWQISA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1)C1CC1 ZINC000425432742 429295596 /nfs/dbraw/zinc/29/55/96/429295596.db2.gz JFBSHVGRMZUEGP-YJBOKZPZSA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)C1CC1 ZINC000425432742 429295599 /nfs/dbraw/zinc/29/55/99/429295599.db2.gz JFBSHVGRMZUEGP-YJBOKZPZSA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)C1CC1 ZINC000425432742 429295602 /nfs/dbraw/zinc/29/56/02/429295602.db2.gz JFBSHVGRMZUEGP-YJBOKZPZSA-N 2 1 303.450 2.742 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000425432246 429296015 /nfs/dbraw/zinc/29/60/15/429296015.db2.gz KEEKVIXQNNPEGX-ULQDDVLXSA-N 2 1 323.525 2.876 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000425432245 429296076 /nfs/dbraw/zinc/29/60/76/429296076.db2.gz KEEKVIXQNNPEGX-GVDBMIGSSA-N 2 1 323.525 2.876 20 0 DFADMP CNC(=O)OC[C@H]1CCCC[N@H+]1CCCc1ccc(C)nc1 ZINC000495947068 429298024 /nfs/dbraw/zinc/29/80/24/429298024.db2.gz OKMWZESHBLQVMS-MRXNPFEDSA-N 2 1 305.422 2.533 20 0 DFADMP CCNC(=O)OC[C@H]1CCCC[N@H+]1CCCc1ccc(C)nc1 ZINC000495947341 429298683 /nfs/dbraw/zinc/29/86/83/429298683.db2.gz POAYNRWQQFUVAW-QGZVFWFLSA-N 2 1 319.449 2.923 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H](C)C1 ZINC000425519878 429316244 /nfs/dbraw/zinc/31/62/44/429316244.db2.gz HDOVMOVDBJQKSV-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP C([NH+]1CC[C@H]2CCC[C@H]21)C1(C[N@H+]2CC[C@@H]3CCC[C@@H]32)COC1 ZINC000426457191 429392000 /nfs/dbraw/zinc/39/20/00/429392000.db2.gz XRLJZTPEUWROFE-USTZCAOPSA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CC[C@@H]2CCC[C@@H]21)C1(C[N@@H+]2CC[C@H]3CCC[C@H]32)COC1 ZINC000426457191 429392003 /nfs/dbraw/zinc/39/20/03/429392003.db2.gz XRLJZTPEUWROFE-USTZCAOPSA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CC[C@@H]2CCC[C@@H]21)C1(C[N@H+]2CC[C@H]3CCC[C@H]32)COC1 ZINC000426457191 429392006 /nfs/dbraw/zinc/39/20/06/429392006.db2.gz XRLJZTPEUWROFE-USTZCAOPSA-N 2 1 304.478 2.752 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCCC1(C)C)c1ccccc1 ZINC000457078143 429392378 /nfs/dbraw/zinc/39/23/78/429392378.db2.gz QMVHOUJGYPORIC-QGZVFWFLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCCC1(C)C)c1ccccc1 ZINC000457078143 429392385 /nfs/dbraw/zinc/39/23/85/429392385.db2.gz QMVHOUJGYPORIC-QGZVFWFLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCCC1(C)C)c1ccccc1 ZINC000457078143 429392388 /nfs/dbraw/zinc/39/23/88/429392388.db2.gz QMVHOUJGYPORIC-QGZVFWFLSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCCC1(C)C)c1ccccc1 ZINC000457078143 429392392 /nfs/dbraw/zinc/39/23/92/429392392.db2.gz QMVHOUJGYPORIC-QGZVFWFLSA-N 2 1 317.477 2.670 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000365876838 429394357 /nfs/dbraw/zinc/39/43/57/429394357.db2.gz LKNVPDQHRWQLOH-RANZSIQMSA-N 2 1 302.487 2.974 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@@H]2[C@@H]1c1ccccc1 ZINC000365876838 429394361 /nfs/dbraw/zinc/39/43/61/429394361.db2.gz LKNVPDQHRWQLOH-RANZSIQMSA-N 2 1 302.487 2.974 20 0 DFADMP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000365881924 429396585 /nfs/dbraw/zinc/39/65/85/429396585.db2.gz DTZNAIJFDWBUPB-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP c1c(C[N@H+]2CCC[C@]3(CCSC3)C2)onc1C1CC[NH2+]CC1 ZINC000425893197 429349415 /nfs/dbraw/zinc/34/94/15/429349415.db2.gz BSMNPBPGNAQFRQ-KRWDZBQOSA-N 2 1 321.490 2.861 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)CCC2 ZINC000425915583 429350811 /nfs/dbraw/zinc/35/08/11/429350811.db2.gz APCBOAASBNPHDC-JSGCOSHPSA-N 2 1 322.449 2.929 20 0 DFADMP CCc1cnccc1[C@@H](C)[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425897870 429351774 /nfs/dbraw/zinc/35/17/74/429351774.db2.gz WOELLMWWNIHNMD-CYBMUJFWSA-N 2 1 314.433 2.950 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449243513 429365706 /nfs/dbraw/zinc/36/57/06/429365706.db2.gz LHBUTEJIQBLDIW-ZWKOTPCHSA-N 2 1 320.864 2.932 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449243513 429365709 /nfs/dbraw/zinc/36/57/09/429365709.db2.gz LHBUTEJIQBLDIW-ZWKOTPCHSA-N 2 1 320.864 2.932 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)OCCCCO2)C[C@H]1CC[NH+](C)C1 ZINC000449265851 429371560 /nfs/dbraw/zinc/37/15/60/429371560.db2.gz RWSVERLOLVBULG-INIZCTEOSA-N 2 1 304.434 2.622 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)OCCCCO2)C[C@H]1CC[NH+](C)C1 ZINC000449265851 429371563 /nfs/dbraw/zinc/37/15/63/429371563.db2.gz RWSVERLOLVBULG-INIZCTEOSA-N 2 1 304.434 2.622 20 0 DFADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@H]1CC[N@H+](C)C1 ZINC000449265851 429371567 /nfs/dbraw/zinc/37/15/67/429371567.db2.gz RWSVERLOLVBULG-INIZCTEOSA-N 2 1 304.434 2.622 20 0 DFADMP C[NH+](Cc1ccc2c(c1)OCCCCO2)C[C@H]1CC[N@@H+](C)C1 ZINC000449265851 429371571 /nfs/dbraw/zinc/37/15/71/429371571.db2.gz RWSVERLOLVBULG-INIZCTEOSA-N 2 1 304.434 2.622 20 0 DFADMP COCC(C)(C)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000426360499 429384921 /nfs/dbraw/zinc/38/49/21/429384921.db2.gz ZOLRQYTWCYSNBL-UHFFFAOYSA-N 2 1 305.466 2.902 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449325906 429387951 /nfs/dbraw/zinc/38/79/51/429387951.db2.gz QKFDSCNGBVWRTA-XMTFNYHQSA-N 2 1 323.525 2.768 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000427294465 429443409 /nfs/dbraw/zinc/44/34/09/429443409.db2.gz ITZXTSSOFKVFIX-SJORKVTESA-N 2 1 323.525 2.783 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCCC(C)(C)C)CC1 ZINC000519042866 429445302 /nfs/dbraw/zinc/44/53/02/429445302.db2.gz HVZXCRSXFRSELV-UHFFFAOYSA-N 2 1 318.465 2.988 20 0 DFADMP C[NH+](C)CC1(C(=O)NCC[N@H+]2CCCC(C)(C)C2)CCCCC1 ZINC000427422506 429449998 /nfs/dbraw/zinc/44/99/98/429449998.db2.gz VWWDQHWCEBKGNW-UHFFFAOYSA-N 2 1 323.525 2.737 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1)C1CC1 ZINC000449571347 429452797 /nfs/dbraw/zinc/45/27/97/429452797.db2.gz JVRSIVBMZJWNSW-CQSZACIVSA-N 2 1 303.450 2.528 20 0 DFADMP CC[C@H](O)[C@H](CC)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000449642964 429468066 /nfs/dbraw/zinc/46/80/66/429468066.db2.gz YIMUIUBBJSIZQD-JSGCOSHPSA-N 2 1 311.495 2.549 20 0 DFADMP CC[C@H](O)[C@H](CC)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000449642964 429468069 /nfs/dbraw/zinc/46/80/69/429468069.db2.gz YIMUIUBBJSIZQD-JSGCOSHPSA-N 2 1 311.495 2.549 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427133544 429432593 /nfs/dbraw/zinc/43/25/93/429432593.db2.gz PNELKMGEGBVRLW-UKRRQHHQSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000427133544 429432596 /nfs/dbraw/zinc/43/25/96/429432596.db2.gz PNELKMGEGBVRLW-UKRRQHHQSA-N 2 1 314.351 2.812 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1F ZINC000427119743 429432851 /nfs/dbraw/zinc/43/28/51/429432851.db2.gz MFWSPELGOHPDNN-YSVLISHTSA-N 2 1 306.425 2.697 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)nc1 ZINC000427106693 429432893 /nfs/dbraw/zinc/43/28/93/429432893.db2.gz GCTMXXNZQLGQFL-PXNSSMCTSA-N 2 1 323.440 2.844 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)nc1 ZINC000427106693 429432897 /nfs/dbraw/zinc/43/28/97/429432897.db2.gz GCTMXXNZQLGQFL-PXNSSMCTSA-N 2 1 323.440 2.844 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c(-c2ccnn2C)c1 ZINC000427121472 429433147 /nfs/dbraw/zinc/43/31/47/429433147.db2.gz ITKLREDLGVXSGO-WMZOPIPTSA-N 2 1 310.445 2.579 20 0 DFADMP CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000449495092 429433781 /nfs/dbraw/zinc/43/37/81/429433781.db2.gz OARYZJJHOWHKMD-HIFRSBDPSA-N 2 1 311.495 2.746 20 0 DFADMP CCO[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1C ZINC000449503750 429436298 /nfs/dbraw/zinc/43/62/98/429436298.db2.gz PTYCQPCTXIIZGL-KSSFIOAISA-N 2 1 314.433 2.823 20 0 DFADMP CCC[C@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449503801 429437126 /nfs/dbraw/zinc/43/71/26/429437126.db2.gz QAJNRYCOROOEKU-HKUYNNGSSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449503801 429437132 /nfs/dbraw/zinc/43/71/32/429437132.db2.gz QAJNRYCOROOEKU-HKUYNNGSSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@H](C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449503801 429437137 /nfs/dbraw/zinc/43/71/37/429437137.db2.gz QAJNRYCOROOEKU-HKUYNNGSSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@H](C)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449503801 429437141 /nfs/dbraw/zinc/43/71/41/429437141.db2.gz QAJNRYCOROOEKU-HKUYNNGSSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000427871809 429475916 /nfs/dbraw/zinc/47/59/16/429475916.db2.gz IYUUABVJAIEPIT-IAGOWNOFSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)N2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000366571610 429478572 /nfs/dbraw/zinc/47/85/72/429478572.db2.gz XZRVFSNTSBRVEP-VQIMIIECSA-N 2 1 315.461 2.658 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000457582226 429490620 /nfs/dbraw/zinc/49/06/20/429490620.db2.gz RSMQMMVPGUVFBO-YJBOKZPZSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000428237629 429502966 /nfs/dbraw/zinc/50/29/66/429502966.db2.gz BJMBLXFJECBTKH-CVEARBPZSA-N 2 1 311.433 2.983 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CCNC(=O)[C@@H]2c2ccccc2C)cn1 ZINC000428274392 429506229 /nfs/dbraw/zinc/50/62/29/429506229.db2.gz ICYYLIOPIBFLKU-IBGZPJMESA-N 2 1 323.440 2.804 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCNC(=O)[C@@H]2c2ccccc2C)cn1 ZINC000428274392 429506233 /nfs/dbraw/zinc/50/62/33/429506233.db2.gz ICYYLIOPIBFLKU-IBGZPJMESA-N 2 1 323.440 2.804 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@H]1C ZINC000449780459 429506580 /nfs/dbraw/zinc/50/65/80/429506580.db2.gz FZTFWOCWHWNGMY-BZUAXINKSA-N 2 1 310.482 2.818 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@H]1C ZINC000449780459 429506582 /nfs/dbraw/zinc/50/65/82/429506582.db2.gz FZTFWOCWHWNGMY-BZUAXINKSA-N 2 1 310.482 2.818 20 0 DFADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000449783046 429509053 /nfs/dbraw/zinc/50/90/53/429509053.db2.gz MVZCPRYGSWYFGY-RRQGHBQHSA-N 2 1 306.425 2.982 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449784135 429509095 /nfs/dbraw/zinc/50/90/95/429509095.db2.gz VITHIDHNOHPOBB-MRXNPFEDSA-N 2 1 317.477 2.892 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449784135 429509101 /nfs/dbraw/zinc/50/91/01/429509101.db2.gz VITHIDHNOHPOBB-MRXNPFEDSA-N 2 1 317.477 2.892 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000366782173 429512245 /nfs/dbraw/zinc/51/22/45/429512245.db2.gz ASQJNCXOJIMEAP-INIZCTEOSA-N 2 1 321.428 2.729 20 0 DFADMP FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366792824 429515235 /nfs/dbraw/zinc/51/52/35/429515235.db2.gz NRPDPQDHCGLUGY-GFCCVEGCSA-N 2 1 307.344 2.837 20 0 DFADMP CCCc1csc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000521582387 429556343 /nfs/dbraw/zinc/55/63/43/429556343.db2.gz LIPUAWXZDVIORY-WBVHZDCISA-N 2 1 323.506 2.814 20 0 DFADMP CCC[C@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000522136473 429582247 /nfs/dbraw/zinc/58/22/47/429582247.db2.gz BNLUYVHKQFCJDF-AWEZNQCLSA-N 2 1 304.438 2.598 20 0 DFADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000522146594 429582308 /nfs/dbraw/zinc/58/23/08/429582308.db2.gz NIMIHQSZLANBPA-QGZVFWFLSA-N 2 1 315.461 2.809 20 0 DFADMP COC(=O)[C@H](CC(C)C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367132708 429584609 /nfs/dbraw/zinc/58/46/09/429584609.db2.gz FPSFXJBKCDBAEZ-WBVHZDCISA-N 2 1 322.493 2.770 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000524156132 429619957 /nfs/dbraw/zinc/61/99/57/429619957.db2.gz MDAHCVVYDUYUMA-UHFFFAOYSA-N 2 1 318.421 2.882 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000524156132 429619959 /nfs/dbraw/zinc/61/99/59/429619959.db2.gz MDAHCVVYDUYUMA-UHFFFAOYSA-N 2 1 318.421 2.882 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000524156155 429620924 /nfs/dbraw/zinc/62/09/24/429620924.db2.gz NUCYUNPOMTXUSB-UHFFFAOYSA-N 2 1 318.421 2.882 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000524156155 429620927 /nfs/dbraw/zinc/62/09/27/429620927.db2.gz NUCYUNPOMTXUSB-UHFFFAOYSA-N 2 1 318.421 2.882 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC([NH3+])(CC)CC)cc1)C1CC1 ZINC000429642045 429622672 /nfs/dbraw/zinc/62/26/72/429622672.db2.gz XSZJDGRARRBVFM-UHFFFAOYSA-N 2 1 317.477 2.918 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450452247 429630123 /nfs/dbraw/zinc/63/01/23/429630123.db2.gz LUOHURXNEWLCRF-RTBURBONSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000450452247 429630129 /nfs/dbraw/zinc/63/01/29/429630129.db2.gz LUOHURXNEWLCRF-RTBURBONSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCCC[C@@H]1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000450452247 429630135 /nfs/dbraw/zinc/63/01/35/429630135.db2.gz LUOHURXNEWLCRF-RTBURBONSA-N 2 1 307.526 2.913 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450456778 429631268 /nfs/dbraw/zinc/63/12/68/429631268.db2.gz UJVNCTXCWLKVAT-HXUWFJFHSA-N 2 1 315.505 2.782 20 0 DFADMP C[NH+](CCN1CC[C@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000450456778 429631269 /nfs/dbraw/zinc/63/12/69/429631269.db2.gz UJVNCTXCWLKVAT-HXUWFJFHSA-N 2 1 315.505 2.782 20 0 DFADMP C[NH+](CCN1CC[C@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000450456778 429631271 /nfs/dbraw/zinc/63/12/71/429631271.db2.gz UJVNCTXCWLKVAT-HXUWFJFHSA-N 2 1 315.505 2.782 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000492894553 429639577 /nfs/dbraw/zinc/63/95/77/429639577.db2.gz HDVHRUBATCZUKT-XLBHYRNJSA-N 2 1 316.449 2.536 20 0 DFADMP C(CC[NH+]1CCC[C@@]12CCOC2)CC[N@H+]1CCC[C@@]12CCOC2 ZINC000367459689 429651259 /nfs/dbraw/zinc/65/12/59/429651259.db2.gz VJKADHPQUYLWLJ-OALUTQOASA-N 2 1 322.493 2.667 20 0 DFADMP Cc1cc(NC(=O)c2c[nH+]ccc2N(C)C)ccc1C[NH+](C)C ZINC000458270577 429612104 /nfs/dbraw/zinc/61/21/04/429612104.db2.gz TWCIGHTUCMURFB-UHFFFAOYSA-N 2 1 312.417 2.770 20 0 DFADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)ccc1C[NH+](C)C ZINC000458273292 429612234 /nfs/dbraw/zinc/61/22/34/429612234.db2.gz WPNXHVGGDUHQRF-KRWDZBQOSA-N 2 1 301.434 2.622 20 0 DFADMP CCN(CCC[N@H+]1CCC[C@@H]([NH+](C)C)CC1)CC(F)(F)F ZINC000429536165 429613807 /nfs/dbraw/zinc/61/38/07/429613807.db2.gz JMRMLTXGZBGQGG-CQSZACIVSA-N 2 1 309.420 2.677 20 0 DFADMP COC(=O)[C@H]1CC[N@@H+](CCCc2ccc(C)nc2)[C@H]1C(C)C ZINC000430148731 429657262 /nfs/dbraw/zinc/65/72/62/429657262.db2.gz SVIIPXKFUYWKAS-IRXDYDNUSA-N 2 1 304.434 2.842 20 0 DFADMP CC(C)n1cc(C[N@@H+](C)C2CCN(c3ccccn3)CC2)cn1 ZINC000367474612 429657229 /nfs/dbraw/zinc/65/72/29/429657229.db2.gz KWOZGMUMGDXNPS-UHFFFAOYSA-N 2 1 313.449 2.960 20 0 DFADMP C/C(=C\c1ccccc1)CN1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000367472483 429657675 /nfs/dbraw/zinc/65/76/75/429657675.db2.gz MTWQZCVEUZWSBS-PHKMIBKXSA-N 2 1 313.489 2.802 20 0 DFADMP C/C(=C\c1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000367472483 429657681 /nfs/dbraw/zinc/65/76/81/429657681.db2.gz MTWQZCVEUZWSBS-PHKMIBKXSA-N 2 1 313.489 2.802 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCCC1(F)F ZINC000450598602 429658134 /nfs/dbraw/zinc/65/81/34/429658134.db2.gz JQAACYVRXLWARL-FPCVCCKLSA-N 2 1 316.436 2.995 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CCN(C/C=C/c3ccc(F)cc3)CC2)C1 ZINC000367472668 429658406 /nfs/dbraw/zinc/65/84/06/429658406.db2.gz RTKITCRRTFWMIJ-NLJSWGTCSA-N 2 1 317.452 2.551 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000367494754 429659210 /nfs/dbraw/zinc/65/92/10/429659210.db2.gz HDRWUKCRXDFEJW-QRVBRYPASA-N 2 1 307.526 2.913 20 0 DFADMP C[N@@H+](CC[C@@H]1CCOC1)[C@@H]1CCC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450613005 429661214 /nfs/dbraw/zinc/66/12/14/429661214.db2.gz LUYKAQDMQAHANE-CEXWTWQISA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000450613005 429661218 /nfs/dbraw/zinc/66/12/18/429661218.db2.gz LUYKAQDMQAHANE-CEXWTWQISA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)[C@@H]1CCC[N@@H+](CC[C@H]2CCOC2)CC1 ZINC000450613005 429661222 /nfs/dbraw/zinc/66/12/22/429661222.db2.gz LUYKAQDMQAHANE-CEXWTWQISA-N 2 1 324.509 2.626 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H]2CCC[C@H]21 ZINC000367517651 429663687 /nfs/dbraw/zinc/66/36/87/429663687.db2.gz CVPGILXNHSZOEU-FGTMMUONSA-N 2 1 315.461 2.833 20 0 DFADMP C[N@H+](CC/C=C/c1ccccc1)CCCN1CC[NH+](C)CC1 ZINC000450630911 429664279 /nfs/dbraw/zinc/66/42/79/429664279.db2.gz AJDFCASWGJPWSJ-IZZDOVSWSA-N 2 1 301.478 2.659 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@@H](O)c3ccccc3)C2)CC1 ZINC000367530395 429665821 /nfs/dbraw/zinc/66/58/21/429665821.db2.gz DJAZXUUSFJYLBO-GOSISDBHSA-N 2 1 302.462 2.918 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367539335 429667707 /nfs/dbraw/zinc/66/77/07/429667707.db2.gz YRUUNJBICRTDNK-FDQGKXFDSA-N 2 1 304.482 2.507 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450642149 429668487 /nfs/dbraw/zinc/66/84/87/429668487.db2.gz HAOYAPQLXDKVKA-SFHVURJKSA-N 2 1 302.462 2.804 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000123921536 276075878 /nfs/dbraw/zinc/07/58/78/276075878.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000123921536 276075881 /nfs/dbraw/zinc/07/58/81/276075881.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000123921536 276075884 /nfs/dbraw/zinc/07/58/84/276075884.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 3 1 303.494 2.958 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000123921536 276075887 /nfs/dbraw/zinc/07/58/87/276075887.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000123921536 276075890 /nfs/dbraw/zinc/07/58/90/276075890.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000123921536 276075892 /nfs/dbraw/zinc/07/58/92/276075892.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000123921536 276075894 /nfs/dbraw/zinc/07/58/94/276075894.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)[C@H](C)C1 ZINC000123921536 276075897 /nfs/dbraw/zinc/07/58/97/276075897.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CCN1CC[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[C@H](C)C1 ZINC000123921536 276075899 /nfs/dbraw/zinc/07/58/99/276075899.db2.gz CSWCMFWKFPAKHS-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP C[C@@H](c1ccccc1)[C@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450650000 429671015 /nfs/dbraw/zinc/67/10/15/429671015.db2.gz YHSAHRZNBGQGKZ-FUHWJXTLSA-N 2 1 302.462 2.711 20 0 DFADMP CC[N@@H+](CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000274954590 276132010 /nfs/dbraw/zinc/13/20/10/276132010.db2.gz VPTTVRDVSFFGIB-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954590 276132011 /nfs/dbraw/zinc/13/20/11/276132011.db2.gz VPTTVRDVSFFGIB-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954590 276132012 /nfs/dbraw/zinc/13/20/12/276132012.db2.gz VPTTVRDVSFFGIB-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954590 276132014 /nfs/dbraw/zinc/13/20/14/276132014.db2.gz VPTTVRDVSFFGIB-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954590 276132015 /nfs/dbraw/zinc/13/20/15/276132015.db2.gz VPTTVRDVSFFGIB-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+](Cc2cccs2)C(C)C)CC1 ZINC000353700024 276149736 /nfs/dbraw/zinc/14/97/36/276149736.db2.gz UZRPQHZWOYSAMB-UHFFFAOYSA-N 2 1 323.506 2.559 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](Cc2cccs2)C(C)C)CC1 ZINC000353700024 276149738 /nfs/dbraw/zinc/14/97/38/276149738.db2.gz UZRPQHZWOYSAMB-UHFFFAOYSA-N 2 1 323.506 2.559 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211859 276213840 /nfs/dbraw/zinc/21/38/40/276213840.db2.gz YPRYQLCKPIILQE-HUUCEWRRSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211859 276213841 /nfs/dbraw/zinc/21/38/41/276213841.db2.gz YPRYQLCKPIILQE-HUUCEWRRSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)C[C@H]1C ZINC000354211859 276213842 /nfs/dbraw/zinc/21/38/42/276213842.db2.gz YPRYQLCKPIILQE-HUUCEWRRSA-N 2 1 321.440 2.959 20 0 DFADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000132326663 276216627 /nfs/dbraw/zinc/21/66/27/276216627.db2.gz ZZOAIRICSVPTKD-YLJYHZDGSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc32)[C@H](C)C1 ZINC000246969225 276229349 /nfs/dbraw/zinc/22/93/49/276229349.db2.gz JIPLQTHWIHISBU-RYRKJORJSA-N 2 1 301.478 2.758 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3cc(OC)ccc32)[C@H](C)C1 ZINC000372047959 276230455 /nfs/dbraw/zinc/23/04/55/276230455.db2.gz VZSANQKHWCSADK-XOKHGSTOSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3cc(OC)ccc32)[C@H](C)C1 ZINC000372047959 276230458 /nfs/dbraw/zinc/23/04/58/276230458.db2.gz VZSANQKHWCSADK-XOKHGSTOSA-N 2 1 304.434 2.839 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000353764067 276234794 /nfs/dbraw/zinc/23/47/94/276234794.db2.gz XNMMWBLPUHOUKR-CVEARBPZSA-N 2 1 318.465 2.531 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000353764067 276234796 /nfs/dbraw/zinc/23/47/96/276234796.db2.gz XNMMWBLPUHOUKR-CVEARBPZSA-N 2 1 318.465 2.531 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430541448 429690127 /nfs/dbraw/zinc/69/01/27/429690127.db2.gz ISSMXOYGEZFUGB-NJAFHUGGSA-N 2 1 317.477 2.655 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430541448 429690129 /nfs/dbraw/zinc/69/01/29/429690129.db2.gz ISSMXOYGEZFUGB-NJAFHUGGSA-N 2 1 317.477 2.655 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367606544 429685366 /nfs/dbraw/zinc/68/53/66/429685366.db2.gz KATHSVPRGHYXMV-ZWQIFLOQSA-N 2 1 318.461 2.925 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@@H]2CCC[C@H]21 ZINC000367611290 429685523 /nfs/dbraw/zinc/68/55/23/429685523.db2.gz BNNZZHHCMBVJIO-OKZBNKHCSA-N 2 1 302.466 2.961 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@@H]2CCC[C@H]21 ZINC000367611290 429685530 /nfs/dbraw/zinc/68/55/30/429685530.db2.gz BNNZZHHCMBVJIO-OKZBNKHCSA-N 2 1 302.466 2.961 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000355915536 276286502 /nfs/dbraw/zinc/28/65/02/276286502.db2.gz HWXZKPTYNZWUNY-JZXOWHBKSA-N 2 1 323.525 2.922 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000430546627 429688913 /nfs/dbraw/zinc/68/89/13/429688913.db2.gz SEXMAJZKHJHHIZ-ZDUSSCGKSA-N 2 1 323.868 2.989 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)[C@@H](C)C1 ZINC000339097657 276315591 /nfs/dbraw/zinc/31/55/91/276315591.db2.gz ZRIXDDYWZLHRQG-OVWQWFNUSA-N 2 1 312.498 2.669 20 0 DFADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(Cl)n2)CC1 ZINC000367654998 429693064 /nfs/dbraw/zinc/69/30/64/429693064.db2.gz BFTSQIRMCGSRSD-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP C[N@H+](CC(C)(C)C[NH3+])[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000430575941 429693704 /nfs/dbraw/zinc/69/37/04/429693704.db2.gz LVTBKTPFHDCYPM-HNNXBMFYSA-N 2 1 323.868 2.752 20 0 DFADMP C[N@@H+](CC(C)(C)C[NH3+])[C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000430575941 429693706 /nfs/dbraw/zinc/69/37/06/429693706.db2.gz LVTBKTPFHDCYPM-HNNXBMFYSA-N 2 1 323.868 2.752 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(C)(C)C)CC2)CC1 ZINC000116309204 276359249 /nfs/dbraw/zinc/35/92/49/276359249.db2.gz YYSHVIPASDVOOF-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1ccc(Cl)cc1 ZINC000430591041 429698375 /nfs/dbraw/zinc/69/83/75/429698375.db2.gz JNONHGFIHWPAPJ-HNNXBMFYSA-N 2 1 311.857 2.974 20 0 DFADMP COC[C@@H](C)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000526120457 429703998 /nfs/dbraw/zinc/70/39/98/429703998.db2.gz OOOWFOXFKMHYBW-LSDHHAIUSA-N 2 1 323.506 2.712 20 0 DFADMP COC[C@@H](C)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000526120457 429704002 /nfs/dbraw/zinc/70/40/02/429704002.db2.gz OOOWFOXFKMHYBW-LSDHHAIUSA-N 2 1 323.506 2.712 20 0 DFADMP C[C@H]1CN(c2ncnc3[nH]ccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000450813421 429704036 /nfs/dbraw/zinc/70/40/36/429704036.db2.gz SHZQLHPFPIFSLV-OAHLLOKOSA-N 2 1 321.428 2.916 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430623934 429704224 /nfs/dbraw/zinc/70/42/24/429704224.db2.gz HKWOSHALFIEAJQ-KRWDZBQOSA-N 2 1 311.514 2.578 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000430623934 429704227 /nfs/dbraw/zinc/70/42/27/429704227.db2.gz HKWOSHALFIEAJQ-KRWDZBQOSA-N 2 1 311.514 2.578 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2[C@H]3COC[C@H]32)CC1 ZINC000367714265 429704644 /nfs/dbraw/zinc/70/46/44/429704644.db2.gz ZVXGTEYOGOIGMO-ZYUSWAADSA-N 2 1 314.473 2.912 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000430641954 429705018 /nfs/dbraw/zinc/70/50/18/429705018.db2.gz JQQYYSAAWLCWSU-CQSZACIVSA-N 2 1 321.490 2.669 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000430659627 429706779 /nfs/dbraw/zinc/70/67/79/429706779.db2.gz BJQQWAXZJAZUPQ-GOSISDBHSA-N 2 1 312.461 2.921 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430658984 429707363 /nfs/dbraw/zinc/70/73/63/429707363.db2.gz YJIOVIHCUWQVJN-QGZVFWFLSA-N 2 1 311.429 2.831 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367721462 429707871 /nfs/dbraw/zinc/70/78/71/429707871.db2.gz OHYXSDMXZWPFPW-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367721462 429707874 /nfs/dbraw/zinc/70/78/74/429707874.db2.gz OHYXSDMXZWPFPW-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP COc1cnccc1[C@H](C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000527073943 429721027 /nfs/dbraw/zinc/72/10/27/429721027.db2.gz GQOGQXVQHWIGNB-AWEZNQCLSA-N 2 1 323.400 2.830 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430889155 429721593 /nfs/dbraw/zinc/72/15/93/429721593.db2.gz LWPMBNFJPDPWQC-YVSFHVDLSA-N 2 1 309.498 2.663 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000482163445 429724091 /nfs/dbraw/zinc/72/40/91/429724091.db2.gz LNOBEZKRBSZILS-WBVHZDCISA-N 2 1 309.498 2.535 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430928205 429725596 /nfs/dbraw/zinc/72/55/96/429725596.db2.gz SVUMQGMZIHURDT-LBPRGKRZSA-N 2 1 318.339 2.505 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430928205 429725601 /nfs/dbraw/zinc/72/56/01/429725601.db2.gz SVUMQGMZIHURDT-LBPRGKRZSA-N 2 1 318.339 2.505 20 0 DFADMP C[C@@H]1C[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000430947991 429726647 /nfs/dbraw/zinc/72/66/47/429726647.db2.gz GRFWCUVEUAPMIL-RISCZKNCSA-N 2 1 318.339 2.633 20 0 DFADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000430959156 429730192 /nfs/dbraw/zinc/73/01/92/429730192.db2.gz WVDUJIIZXFQBGW-GFCCVEGCSA-N 2 1 304.413 2.755 20 0 DFADMP C[C@@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000430972724 429731366 /nfs/dbraw/zinc/73/13/66/429731366.db2.gz RIQFJUPHGUXJGD-DGCLKSJQSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CC[C@H]1[NH3+] ZINC000430972724 429731370 /nfs/dbraw/zinc/73/13/70/429731370.db2.gz RIQFJUPHGUXJGD-DGCLKSJQSA-N 2 1 302.340 2.753 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430966614 429732301 /nfs/dbraw/zinc/73/23/01/429732301.db2.gz PBUVCQOITFHVGZ-OAHLLOKOSA-N 2 1 306.413 2.782 20 0 DFADMP O[C@@H](Cc1cccc(Cl)c1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000367892651 429738686 /nfs/dbraw/zinc/73/86/86/429738686.db2.gz RHZNRJQTMUMALS-SFHVURJKSA-N 2 1 322.880 2.804 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431077229 429738817 /nfs/dbraw/zinc/73/88/17/429738817.db2.gz AUIVBYXHLMDTQC-TZMCWYRMSA-N 2 1 300.406 2.641 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071582 429740022 /nfs/dbraw/zinc/74/00/22/429740022.db2.gz VONVOVLNLSOUIA-LLVKDONJSA-N 2 1 322.840 2.980 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071582 429740028 /nfs/dbraw/zinc/74/00/28/429740028.db2.gz VONVOVLNLSOUIA-LLVKDONJSA-N 2 1 322.840 2.980 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000431084572 429741405 /nfs/dbraw/zinc/74/14/05/429741405.db2.gz LAVDPQKJRGGKDZ-LBPRGKRZSA-N 2 1 320.824 2.906 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H](c3ccc(Cl)cc3)C2)n1 ZINC000431084572 429741409 /nfs/dbraw/zinc/74/14/09/429741409.db2.gz LAVDPQKJRGGKDZ-LBPRGKRZSA-N 2 1 320.824 2.906 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000431101119 429741603 /nfs/dbraw/zinc/74/16/03/429741603.db2.gz XQOHBXVQOZKKIJ-AWEZNQCLSA-N 2 1 318.396 2.610 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H]2Cc2ccc(F)cc2)n1 ZINC000431101119 429741607 /nfs/dbraw/zinc/74/16/07/429741607.db2.gz XQOHBXVQOZKKIJ-AWEZNQCLSA-N 2 1 318.396 2.610 20 0 DFADMP CCC[N@H+](CC(=O)NCCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431100603 429741921 /nfs/dbraw/zinc/74/19/21/429741921.db2.gz MXDLUHRUCABTEH-UHFFFAOYSA-N 2 1 309.498 2.537 20 0 DFADMP CCC[N@@H+](CC(=O)NCCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431100603 429741924 /nfs/dbraw/zinc/74/19/24/429741924.db2.gz MXDLUHRUCABTEH-UHFFFAOYSA-N 2 1 309.498 2.537 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324963 429743790 /nfs/dbraw/zinc/74/37/90/429743790.db2.gz STBLZNLIDRMJQG-MJGOQNOKSA-N 2 1 324.472 2.990 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984592 429743991 /nfs/dbraw/zinc/74/39/91/429743991.db2.gz WWXJMWSKFXTYLC-NYJIRUKSSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984592 429743996 /nfs/dbraw/zinc/74/39/96/429743996.db2.gz WWXJMWSKFXTYLC-NYJIRUKSSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984592 429744002 /nfs/dbraw/zinc/74/40/02/429744002.db2.gz WWXJMWSKFXTYLC-NYJIRUKSSA-N 2 1 302.462 2.708 20 0 DFADMP CCCC1CCC([N@@H+](C)CC(=O)NC2CC[NH+](CC)CC2)CC1 ZINC000484887587 429744166 /nfs/dbraw/zinc/74/41/66/429744166.db2.gz NMVFJOYWPGJAFW-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@@H+](C)Cc1ccccc1 ZINC000450980926 429744876 /nfs/dbraw/zinc/74/48/76/429744876.db2.gz HCRCSOWOXNMIBM-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP CC[N@H+]1CCc2c(cccc2NC(=O)CC2CC[NH+](C)CC2)C1 ZINC000368144380 429797541 /nfs/dbraw/zinc/79/75/41/429797541.db2.gz UURDJTAQVOWADF-UHFFFAOYSA-N 2 1 315.461 2.735 20 0 DFADMP Cc1nc2c(n1[C@@H]1CCN(Cc3nccc(C)n3)C1)CCCC2 ZINC000432075908 429797942 /nfs/dbraw/zinc/79/79/42/429797942.db2.gz JWDPUHFCHCWDFV-OAHLLOKOSA-N 2 1 311.433 2.616 20 0 DFADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000367957130 429751640 /nfs/dbraw/zinc/75/16/40/429751640.db2.gz OZTSRCXPZYNDGS-MRXNPFEDSA-N 2 1 320.481 2.587 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1CCCCC1(F)F)CC[NH+](C)C ZINC000451041420 429753823 /nfs/dbraw/zinc/75/38/23/429753823.db2.gz NNCCLWNRMXQFNC-OAHLLOKOSA-N 2 1 305.457 2.627 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487067487 429762924 /nfs/dbraw/zinc/76/29/24/429762924.db2.gz PFOYPCQKTUKDQI-AEFFLSMTSA-N 2 1 323.525 2.545 20 0 DFADMP Cc1nc([C@H]2CCC[N@@H+](CCCc3cnccc3C)C2)no1 ZINC000368014391 429766492 /nfs/dbraw/zinc/76/64/92/429766492.db2.gz FUWYSLDJFWMNPE-INIZCTEOSA-N 2 1 300.406 2.894 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc(C)c1O ZINC000368018200 429766518 /nfs/dbraw/zinc/76/65/18/429766518.db2.gz IZPSMOCEQCFEID-FGTMMUONSA-N 2 1 318.461 2.693 20 0 DFADMP COc1cc(C[NH2+]CCC[NH+]2CCC2)cc(C(F)(F)F)c1 ZINC000527686193 429778259 /nfs/dbraw/zinc/77/82/59/429778259.db2.gz PKUHWODARSHJFP-UHFFFAOYSA-N 2 1 302.340 2.899 20 0 DFADMP C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368070243 429779119 /nfs/dbraw/zinc/77/91/19/429779119.db2.gz IXSNZXKKSYZPJI-OAHLLOKOSA-N 2 1 321.465 2.889 20 0 DFADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368070243 429779122 /nfs/dbraw/zinc/77/91/22/429779122.db2.gz IXSNZXKKSYZPJI-OAHLLOKOSA-N 2 1 321.465 2.889 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748853 429781063 /nfs/dbraw/zinc/78/10/63/429781063.db2.gz JCLJPVOXPJZHNC-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431741289 429781118 /nfs/dbraw/zinc/78/11/18/429781118.db2.gz JKRNNHWOJWCUOO-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431741289 429781121 /nfs/dbraw/zinc/78/11/21/429781121.db2.gz JKRNNHWOJWCUOO-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431741289 429781122 /nfs/dbraw/zinc/78/11/22/429781122.db2.gz JKRNNHWOJWCUOO-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP CC1CC[NH+](CCCCNC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431746152 429781140 /nfs/dbraw/zinc/78/11/40/429781140.db2.gz TXUSIYNOLYKOTD-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431784575 429782121 /nfs/dbraw/zinc/78/21/21/429782121.db2.gz LZHLOWDQPIGTDA-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431784575 429782125 /nfs/dbraw/zinc/78/21/25/429782125.db2.gz LZHLOWDQPIGTDA-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431784575 429782128 /nfs/dbraw/zinc/78/21/28/429782128.db2.gz LZHLOWDQPIGTDA-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP COc1cccc([C@@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)OC)c1 ZINC000527733600 429788815 /nfs/dbraw/zinc/78/88/15/429788815.db2.gz CNNABAOSZWSZEY-GOSISDBHSA-N 2 1 315.417 2.634 20 0 DFADMP CC(C)N1CCCC[C@H]1C[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451213617 429788973 /nfs/dbraw/zinc/78/89/73/429788973.db2.gz FFLLNTPSIBWWFB-SJORKVTESA-N 2 1 323.525 2.863 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cnn(Cc2ccccc2)c1 ZINC000368105356 429789188 /nfs/dbraw/zinc/78/91/88/429789188.db2.gz QULWGBSTVNNBIH-PBHICJAKSA-N 2 1 321.428 2.863 20 0 DFADMP FC1(F)Oc2cccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2O1 ZINC000527754331 429792169 /nfs/dbraw/zinc/79/21/69/429792169.db2.gz JRKVOLGVQIWTDO-UONOGXRCSA-N 2 1 324.371 2.767 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000368131581 429795519 /nfs/dbraw/zinc/79/55/19/429795519.db2.gz ATLNZIXJKKMBRL-KRWDZBQOSA-N 2 1 316.493 2.938 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H]3[C@@H]4C=C[C@@H](C4)[C@]3(C)C2)CC1 ZINC000451372836 429818486 /nfs/dbraw/zinc/81/84/86/429818486.db2.gz QYQBRUPVRLOCJR-WCIQWLHISA-N 2 1 317.521 2.547 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC3(CCOCC3)CC2)CCCO1 ZINC000432414737 429822349 /nfs/dbraw/zinc/82/23/49/429822349.db2.gz ARBTWWWEUBQSPT-QGZVFWFLSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC3(CCOCC3)CC2)CCCO1 ZINC000432414737 429822352 /nfs/dbraw/zinc/82/23/52/429822352.db2.gz ARBTWWWEUBQSPT-QGZVFWFLSA-N 2 1 324.509 2.816 20 0 DFADMP OC1CC(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000432426227 429823981 /nfs/dbraw/zinc/82/39/81/429823981.db2.gz ZGMLOGXZYGCEEC-PFNPZRIDSA-N 2 1 314.473 2.933 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC24CC(C2)CO4)C3)cc1 ZINC000527977497 429829315 /nfs/dbraw/zinc/82/93/15/429829315.db2.gz GDVFNRWWJCULFI-JHNJKDCUSA-N 2 1 312.457 2.951 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528027396 429838146 /nfs/dbraw/zinc/83/81/46/429838146.db2.gz SWKDCIZXVIDWIB-FHWLQOOXSA-N 2 1 300.446 2.523 20 0 DFADMP CC(C)(O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000368381071 429840726 /nfs/dbraw/zinc/84/07/26/429840726.db2.gz SFIWWRMFKJGFQP-UHFFFAOYSA-N 2 1 308.441 2.583 20 0 DFADMP CC(C)(O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000368408217 429844799 /nfs/dbraw/zinc/84/47/99/429844799.db2.gz BAHKCQQHQKVIOU-AYHJJNSGSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1cc(NCCC[N@H+]2CCCO[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000432866520 429845825 /nfs/dbraw/zinc/84/58/25/429845825.db2.gz LVDGJTHCCDEUST-INIZCTEOSA-N 2 1 313.445 2.878 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000494102675 429856008 /nfs/dbraw/zinc/85/60/08/429856008.db2.gz XHUIBEGEYWBARG-UHFFFAOYSA-N 2 1 324.469 2.770 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)CCN(C)C(=O)OC(C)(C)C ZINC000494102675 429856011 /nfs/dbraw/zinc/85/60/11/429856011.db2.gz XHUIBEGEYWBARG-UHFFFAOYSA-N 2 1 324.469 2.770 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000494107982 429856493 /nfs/dbraw/zinc/85/64/93/429856493.db2.gz RHGBSXGQOSSOBA-UHFFFAOYSA-N 2 1 311.470 2.619 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CN2CC(C)(C)OC2=O)CC1 ZINC000494107982 429856495 /nfs/dbraw/zinc/85/64/95/429856495.db2.gz RHGBSXGQOSSOBA-UHFFFAOYSA-N 2 1 311.470 2.619 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000368539241 429864701 /nfs/dbraw/zinc/86/47/01/429864701.db2.gz SBGZGTQGKVTFIZ-YTQUADARSA-N 2 1 302.462 2.769 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000368539241 429864702 /nfs/dbraw/zinc/86/47/02/429864702.db2.gz SBGZGTQGKVTFIZ-YTQUADARSA-N 2 1 302.462 2.769 20 0 DFADMP CCCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649077 429866399 /nfs/dbraw/zinc/86/63/99/429866399.db2.gz HOWYQHLGZVNBDQ-RCCFBDPRSA-N 2 1 312.498 2.501 20 0 DFADMP CCCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649077 429866401 /nfs/dbraw/zinc/86/64/01/429866401.db2.gz HOWYQHLGZVNBDQ-RCCFBDPRSA-N 2 1 312.498 2.501 20 0 DFADMP CCCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649077 429866403 /nfs/dbraw/zinc/86/64/03/429866403.db2.gz HOWYQHLGZVNBDQ-RCCFBDPRSA-N 2 1 312.498 2.501 20 0 DFADMP CCCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCCC[C@H]1OC ZINC000451649077 429866405 /nfs/dbraw/zinc/86/64/05/429866405.db2.gz HOWYQHLGZVNBDQ-RCCFBDPRSA-N 2 1 312.498 2.501 20 0 DFADMP CC(C)n1cc(CNC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nn1 ZINC000368559253 429866441 /nfs/dbraw/zinc/86/64/41/429866441.db2.gz ZOANBQUNTCWTAX-FUHWJXTLSA-N 2 1 313.449 2.642 20 0 DFADMP CC[N@H+](CC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1)C1CC1 ZINC000368568215 429868036 /nfs/dbraw/zinc/86/80/36/429868036.db2.gz CNMTYGILTAIBOT-MRXNPFEDSA-N 2 1 318.465 2.654 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1)C1CC1 ZINC000368568215 429868037 /nfs/dbraw/zinc/86/80/37/429868037.db2.gz CNMTYGILTAIBOT-MRXNPFEDSA-N 2 1 318.465 2.654 20 0 DFADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1csc(Cl)c1Cl ZINC000432240790 429809590 /nfs/dbraw/zinc/80/95/90/429809590.db2.gz GKCSSSDNEQTELM-JTQLQIEISA-N 2 1 322.305 2.780 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@H]3CC34CC4)CC2)nc(C)[nH+]1 ZINC000527866484 429811012 /nfs/dbraw/zinc/81/10/12/429811012.db2.gz IIPCUHNPNWICMZ-XJKSGUPXSA-N 2 1 300.450 2.840 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)[C@@H]1CC12CC2 ZINC000527887772 429814926 /nfs/dbraw/zinc/81/49/26/429814926.db2.gz OYSQSPJLOVARCV-SNRMKQJTSA-N 2 1 314.473 2.922 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494555364 429879649 /nfs/dbraw/zinc/87/96/49/429879649.db2.gz QFZFFWVRVGZIQY-UONOGXRCSA-N 2 1 313.486 2.752 20 0 DFADMP CO[C@H](CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000528408372 429886079 /nfs/dbraw/zinc/88/60/79/429886079.db2.gz UQACDEIELRBHCE-CGTJXYLNSA-N 2 1 306.425 2.929 20 0 DFADMP CO[C@@H](CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000528511720 429895047 /nfs/dbraw/zinc/89/50/47/429895047.db2.gz HCZNKUYZSHENIG-ZWKOTPCHSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000528511720 429895049 /nfs/dbraw/zinc/89/50/49/429895049.db2.gz HCZNKUYZSHENIG-ZWKOTPCHSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000528511720 429895055 /nfs/dbraw/zinc/89/50/55/429895055.db2.gz HCZNKUYZSHENIG-ZWKOTPCHSA-N 2 1 306.425 2.931 20 0 DFADMP CC[C@H](c1ccccc1F)[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000368799235 429895481 /nfs/dbraw/zinc/89/54/81/429895481.db2.gz VNWCXDPZJNNSKA-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000528520350 429896076 /nfs/dbraw/zinc/89/60/76/429896076.db2.gz WXSFXNVSMSXAMP-OALUTQOASA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000528520350 429896077 /nfs/dbraw/zinc/89/60/77/429896077.db2.gz WXSFXNVSMSXAMP-OALUTQOASA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000528520350 429896079 /nfs/dbraw/zinc/89/60/79/429896079.db2.gz WXSFXNVSMSXAMP-OALUTQOASA-N 2 1 320.452 2.801 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745441 429911944 /nfs/dbraw/zinc/91/19/44/429911944.db2.gz PVOUMRDQRJMGDI-ZWKOTPCHSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745441 429911945 /nfs/dbraw/zinc/91/19/45/429911945.db2.gz PVOUMRDQRJMGDI-ZWKOTPCHSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745441 429911946 /nfs/dbraw/zinc/91/19/46/429911946.db2.gz PVOUMRDQRJMGDI-ZWKOTPCHSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745441 429911947 /nfs/dbraw/zinc/91/19/47/429911947.db2.gz PVOUMRDQRJMGDI-ZWKOTPCHSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767739 429914084 /nfs/dbraw/zinc/91/40/84/429914084.db2.gz AKLSEQUNIPPJRC-ROUUACIJSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767739 429914086 /nfs/dbraw/zinc/91/40/86/429914086.db2.gz AKLSEQUNIPPJRC-ROUUACIJSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767739 429914087 /nfs/dbraw/zinc/91/40/87/429914087.db2.gz AKLSEQUNIPPJRC-ROUUACIJSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767739 429914089 /nfs/dbraw/zinc/91/40/89/429914089.db2.gz AKLSEQUNIPPJRC-ROUUACIJSA-N 2 1 320.452 2.849 20 0 DFADMP Cn1cncc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000369212849 429920255 /nfs/dbraw/zinc/92/02/55/429920255.db2.gz FTVIDVQTUIUFOD-GOSISDBHSA-N 2 1 312.461 2.810 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000369212849 429920257 /nfs/dbraw/zinc/92/02/57/429920257.db2.gz FTVIDVQTUIUFOD-GOSISDBHSA-N 2 1 312.461 2.810 20 0 DFADMP C[C@@H](C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1)NC(=O)OC(C)(C)C ZINC000494418800 429871064 /nfs/dbraw/zinc/87/10/64/429871064.db2.gz QXRUQZYYQPEWPQ-KBPBESRZSA-N 2 1 311.470 2.530 20 0 DFADMP Cc1nccn1CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000494416238 429871607 /nfs/dbraw/zinc/87/16/07/429871607.db2.gz CNWSMJNDKWQRNV-UONOGXRCSA-N 2 1 322.453 2.521 20 0 DFADMP Cc1nccn1CCN1CCN(C(=O)OC(C)(C)C)[C@H](C)[C@@H]1C ZINC000494416238 429871611 /nfs/dbraw/zinc/87/16/11/429871611.db2.gz CNWSMJNDKWQRNV-UONOGXRCSA-N 2 1 322.453 2.521 20 0 DFADMP CC(C)Oc1ccnc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756507 429970529 /nfs/dbraw/zinc/97/05/29/429970529.db2.gz WGGAOIQDUPAGRD-UHFFFAOYSA-N 2 1 303.450 2.787 20 0 DFADMP CCCCc1noc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639759984 429972951 /nfs/dbraw/zinc/97/29/51/429972951.db2.gz PGFJABPJGUORNI-CQSZACIVSA-N 2 1 306.454 2.891 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000573688031 429973028 /nfs/dbraw/zinc/97/30/28/429973028.db2.gz CLRIKEPFAJTOGX-UHFFFAOYSA-N 2 1 322.359 2.576 20 0 DFADMP c1ccc2c(c1)CCN2CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682862 429943733 /nfs/dbraw/zinc/94/37/33/429943733.db2.gz BPABCFDAMMLSHM-UHFFFAOYSA-N 2 1 322.456 2.656 20 0 DFADMP c1cnn(CCCCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682995 429944079 /nfs/dbraw/zinc/94/40/79/429944079.db2.gz PHZDDPFDTFEPDN-UHFFFAOYSA-N 2 1 313.449 2.661 20 0 DFADMP CCCN(CC[NH+]1CCCC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000557578739 429944869 /nfs/dbraw/zinc/94/48/69/429944869.db2.gz NDHMALOUEBYMQW-UHFFFAOYSA-N 2 1 323.525 2.975 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000369446587 429945197 /nfs/dbraw/zinc/94/51/97/429945197.db2.gz YYYQYHHCPJKGLY-GJZGRUSLSA-N 2 1 312.417 2.513 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000369446589 429945730 /nfs/dbraw/zinc/94/57/30/429945730.db2.gz YYYQYHHCPJKGLY-HUUCEWRRSA-N 2 1 312.417 2.513 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(OC)c(OC)c1 ZINC000369445530 429945917 /nfs/dbraw/zinc/94/59/17/429945917.db2.gz WQOQBFPUDCOWPL-HUUCEWRRSA-N 2 1 315.417 2.956 20 0 DFADMP Clc1cccnc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685922 429946709 /nfs/dbraw/zinc/94/67/09/429946709.db2.gz YVDWTXGRARAJFD-UHFFFAOYSA-N 2 1 302.809 2.842 20 0 DFADMP Clc1cccnc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639685922 429946715 /nfs/dbraw/zinc/94/67/15/429946715.db2.gz YVDWTXGRARAJFD-UHFFFAOYSA-N 2 1 302.809 2.842 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCn3cccn3)C2)s1 ZINC000574320019 430032058 /nfs/dbraw/zinc/03/20/58/430032058.db2.gz HVYCYWJNXXGJEY-MRXNPFEDSA-N 2 1 318.490 2.707 20 0 DFADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000639983888 430043713 /nfs/dbraw/zinc/04/37/13/430043713.db2.gz NMJYXWKCBLPTEA-LJQANCHMSA-N 2 1 316.489 2.930 20 0 DFADMP C[NH+](C)C[C@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000108952129 276807663 /nfs/dbraw/zinc/80/76/63/276807663.db2.gz HBUDPGRKRRGDBK-ZDUSSCGKSA-N 2 1 305.809 2.655 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000573930930 429995367 /nfs/dbraw/zinc/99/53/67/429995367.db2.gz GIFAAWZZQOBIAM-LMMKCTJWSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000573930930 429995372 /nfs/dbraw/zinc/99/53/72/429995372.db2.gz GIFAAWZZQOBIAM-LMMKCTJWSA-N 2 1 320.477 2.587 20 0 DFADMP CC(C)CC1([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000639862978 430002458 /nfs/dbraw/zinc/00/24/58/430002458.db2.gz UJXLAYKULPEFDE-IBGZPJMESA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)CC1([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000639862978 430002461 /nfs/dbraw/zinc/00/24/61/430002461.db2.gz UJXLAYKULPEFDE-IBGZPJMESA-N 2 1 302.462 2.792 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2C)C1 ZINC000574032836 430004141 /nfs/dbraw/zinc/00/41/41/430004141.db2.gz YHPXPXVIRFSMGO-OAHLLOKOSA-N 2 1 321.440 2.784 20 0 DFADMP CCOc1cc(CNC[C@H]2CC[N@@H+]2C2CCCC2)ccc1O ZINC000529669703 430048404 /nfs/dbraw/zinc/04/84/04/430048404.db2.gz NYXGBPAXLSOSOK-MRXNPFEDSA-N 2 1 304.434 2.897 20 0 DFADMP CCOc1cc(CNC[C@H]2CC[N@H+]2C2CCCC2)ccc1O ZINC000529669703 430048409 /nfs/dbraw/zinc/04/84/09/430048409.db2.gz NYXGBPAXLSOSOK-MRXNPFEDSA-N 2 1 304.434 2.897 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)s1 ZINC000574139292 430014618 /nfs/dbraw/zinc/01/46/18/430014618.db2.gz AADWWHBJPCLRRO-GJZGRUSLSA-N 2 1 323.506 2.985 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639920670 430023015 /nfs/dbraw/zinc/02/30/15/430023015.db2.gz ZBGCSZWWMYVXTO-BBRMVZONSA-N 2 1 314.832 2.977 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639920670 430023019 /nfs/dbraw/zinc/02/30/19/430023019.db2.gz ZBGCSZWWMYVXTO-BBRMVZONSA-N 2 1 314.832 2.977 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529537129 430024342 /nfs/dbraw/zinc/02/43/42/430024342.db2.gz PMZVVCKUMTVQKS-NEWSRXKRSA-N 2 1 313.445 2.851 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CNCc1cccc(F)c1F ZINC000634727937 430091379 /nfs/dbraw/zinc/09/13/79/430091379.db2.gz JWMXWWQLPLDOOC-INIZCTEOSA-N 2 1 320.383 2.547 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732855 430093641 /nfs/dbraw/zinc/09/36/41/430093641.db2.gz QIEKQEYSSMIARJ-NZSAHSFTSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732855 430093644 /nfs/dbraw/zinc/09/36/44/430093644.db2.gz QIEKQEYSSMIARJ-NZSAHSFTSA-N 2 1 315.505 2.875 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C2 ZINC000561976897 430103484 /nfs/dbraw/zinc/10/34/84/430103484.db2.gz VVDHWBYHCRHFFB-NVXWUHKLSA-N 2 1 302.462 2.872 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530221387 430105084 /nfs/dbraw/zinc/10/50/84/430105084.db2.gz PYFLITYSXUTGNR-NZSAHSFTSA-N 2 1 313.489 2.771 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ncccc2Cl)C1 ZINC000530221543 430106363 /nfs/dbraw/zinc/10/63/63/430106363.db2.gz GFEGWVNPIPSIOX-UHOFOFEASA-N 2 1 309.841 2.596 20 0 DFADMP Cc1nn(C)c2sc([C@@H](C)[NH2+]CCc3c[nH+]cn3C)cc12 ZINC000562055561 430107262 /nfs/dbraw/zinc/10/72/62/430107262.db2.gz FDWYSFBGKGXEDM-LLVKDONJSA-N 2 1 303.435 2.570 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CN(C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035737 430107472 /nfs/dbraw/zinc/10/74/72/430107472.db2.gz OHGMCASJIRUCRA-LSTHTHJFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035737 430107475 /nfs/dbraw/zinc/10/74/75/430107475.db2.gz OHGMCASJIRUCRA-LSTHTHJFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035737 430107477 /nfs/dbraw/zinc/10/74/77/430107477.db2.gz OHGMCASJIRUCRA-LSTHTHJFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035737 430107478 /nfs/dbraw/zinc/10/74/78/430107478.db2.gz OHGMCASJIRUCRA-LSTHTHJFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035737 430107481 /nfs/dbraw/zinc/10/74/81/430107481.db2.gz OHGMCASJIRUCRA-LSTHTHJFSA-N 2 1 316.489 2.957 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000640017976 430056109 /nfs/dbraw/zinc/05/61/09/430056109.db2.gz OMHSPSKBSHIIQJ-UHFFFAOYSA-N 2 1 321.440 2.961 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C ZINC000640019818 430059237 /nfs/dbraw/zinc/05/92/37/430059237.db2.gz BJTPFCWLEACKGH-MQYQWHSLSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C ZINC000640019818 430059241 /nfs/dbraw/zinc/05/92/41/430059241.db2.gz BJTPFCWLEACKGH-MQYQWHSLSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C ZINC000640019818 430059246 /nfs/dbraw/zinc/05/92/46/430059246.db2.gz BJTPFCWLEACKGH-MQYQWHSLSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@@H](CC(F)(F)F)[C@H]1C ZINC000640019818 430059251 /nfs/dbraw/zinc/05/92/51/430059251.db2.gz BJTPFCWLEACKGH-MQYQWHSLSA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000560846176 430069362 /nfs/dbraw/zinc/06/93/62/430069362.db2.gz DJACLQXRVRHPEI-INIZCTEOSA-N 2 1 312.461 2.907 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccccc2)C1 ZINC000560846178 430070544 /nfs/dbraw/zinc/07/05/44/430070544.db2.gz DJACLQXRVRHPEI-MRXNPFEDSA-N 2 1 312.461 2.907 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCOC(C)(C)C3)CCCC2)CC1 ZINC000634680462 430076199 /nfs/dbraw/zinc/07/61/99/430076199.db2.gz SXNUOITXFCMTPG-INIZCTEOSA-N 2 1 324.509 2.957 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)O1 ZINC000634687861 430077772 /nfs/dbraw/zinc/07/77/72/430077772.db2.gz BJYIWHWSBQYBIU-NJAFHUGGSA-N 2 1 303.450 2.593 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)O1 ZINC000634687861 430077775 /nfs/dbraw/zinc/07/77/75/430077775.db2.gz BJYIWHWSBQYBIU-NJAFHUGGSA-N 2 1 303.450 2.593 20 0 DFADMP CC1(F)CC[NH+](CC2(C[NH+]3CCC(C)(F)CC3)COC2)CC1 ZINC000640071724 430081394 /nfs/dbraw/zinc/08/13/94/430081394.db2.gz RPJAYCXCUUXIGU-UHFFFAOYSA-N 2 1 316.436 2.651 20 0 DFADMP O[C@@]1(C[NH2+]CCc2cccs2)CC[N@H+](Cc2ccccc2)C1 ZINC000634698568 430082953 /nfs/dbraw/zinc/08/29/53/430082953.db2.gz QDCJUUYNFSXNNI-GOSISDBHSA-N 2 1 316.470 2.517 20 0 DFADMP O[C@@]1(C[NH2+]CCc2cccs2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634698568 430082957 /nfs/dbraw/zinc/08/29/57/430082957.db2.gz QDCJUUYNFSXNNI-GOSISDBHSA-N 2 1 316.470 2.517 20 0 DFADMP O[C@@]1(C[NH2+]C[C@H]2Cc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000634699188 430083360 /nfs/dbraw/zinc/08/33/60/430083360.db2.gz GJFCCEQOGIFBEI-TZIWHRDSSA-N 2 1 322.452 2.553 20 0 DFADMP O[C@@]1(C[NH2+]C[C@H]2Cc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699188 430083363 /nfs/dbraw/zinc/08/33/63/430083363.db2.gz GJFCCEQOGIFBEI-TZIWHRDSSA-N 2 1 322.452 2.553 20 0 DFADMP CC[C@@H]1CCC[C@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000562640185 430158257 /nfs/dbraw/zinc/15/82/57/430158257.db2.gz MIJPVOSRBAYFNR-HUUCEWRRSA-N 2 1 316.449 2.598 20 0 DFADMP C[C@H]1COC(C)(C)C[NH+]1CCCC[N@@H+]1CC(C)(C)OC[C@@H]1C ZINC000562350016 430121656 /nfs/dbraw/zinc/12/16/56/430121656.db2.gz QLWJKKZBDBSHIE-HOTGVXAUSA-N 2 1 312.498 2.765 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637807241 430135777 /nfs/dbraw/zinc/13/57/77/430135777.db2.gz FEQKKBMJTGDVDE-GOSISDBHSA-N 2 1 323.440 2.867 20 0 DFADMP C[N@@H+](CCO)C[C@@]1(C(C)(C)C)CC[NH+](Cc2ccccc2)C1 ZINC000637832340 430142334 /nfs/dbraw/zinc/14/23/34/430142334.db2.gz HBAYGAPWFXXBLU-IBGZPJMESA-N 2 1 304.478 2.849 20 0 DFADMP CCc1cc(NCc2ccc(C[NH+]3CCCC3)cc2)nc(C)[nH+]1 ZINC000541091052 430185321 /nfs/dbraw/zinc/18/53/21/430185321.db2.gz WVOFGILWSLQFRI-UHFFFAOYSA-N 2 1 310.445 3.555 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000541225184 430186455 /nfs/dbraw/zinc/18/64/55/430186455.db2.gz GSRZHJMDZCCAQL-LSDHHAIUSA-N 2 1 310.507 2.704 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC000634995147 430188028 /nfs/dbraw/zinc/18/80/28/430188028.db2.gz WOSUZNSQDNLASU-CRAIPNDOSA-N 2 1 308.429 2.515 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)n2)cc1 ZINC000634995147 430188032 /nfs/dbraw/zinc/18/80/32/430188032.db2.gz WOSUZNSQDNLASU-CRAIPNDOSA-N 2 1 308.429 2.515 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998111 430190101 /nfs/dbraw/zinc/19/01/01/430190101.db2.gz AUJBFWUQAYYIDR-KOLCDFICSA-N 2 1 304.768 2.968 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998111 430190106 /nfs/dbraw/zinc/19/01/06/430190106.db2.gz AUJBFWUQAYYIDR-KOLCDFICSA-N 2 1 304.768 2.968 20 0 DFADMP c1cc(CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635003798 430192384 /nfs/dbraw/zinc/19/23/84/430192384.db2.gz LRZGFUXLBBLMJK-SLFFLAALSA-N 2 1 313.489 2.733 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005177 430193606 /nfs/dbraw/zinc/19/36/06/430193606.db2.gz SANNPNCOGWCJQY-BJMVHTGZSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005177 430193609 /nfs/dbraw/zinc/19/36/09/430193609.db2.gz SANNPNCOGWCJQY-BJMVHTGZSA-N 2 1 301.478 2.614 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@@H]2CCC[C@H]21 ZINC000375808462 277172319 /nfs/dbraw/zinc/17/23/19/277172319.db2.gz RVPOXBPLWWENDI-YESZJQIVSA-N 2 1 316.445 2.810 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000231720471 277201894 /nfs/dbraw/zinc/20/18/94/277201894.db2.gz AMTPKTXKWARXFK-LVQVYYBASA-N 2 1 323.481 2.649 20 0 DFADMP CC(C)[C@H]1CC[N@@H+](CC2(C[NH+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999892 430199294 /nfs/dbraw/zinc/19/92/94/430199294.db2.gz FKDNIAAENGDQLD-HDICACEKSA-N 2 1 308.510 2.959 20 0 DFADMP CC(C)[C@H]1CC[NH+](CC2(C[N@@H+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999892 430199296 /nfs/dbraw/zinc/19/92/96/430199296.db2.gz FKDNIAAENGDQLD-HDICACEKSA-N 2 1 308.510 2.959 20 0 DFADMP CC(C)[C@H]1CC[NH+](CC2(C[N@H+]3CC[C@@H](C(C)C)C3)COC2)C1 ZINC000541999892 430199298 /nfs/dbraw/zinc/19/92/98/430199298.db2.gz FKDNIAAENGDQLD-HDICACEKSA-N 2 1 308.510 2.959 20 0 DFADMP CCn1ccnc1CN1CCC[N@@H+](CC2(C(C)C)CC2)CC1 ZINC000638047116 430218414 /nfs/dbraw/zinc/21/84/14/430218414.db2.gz YQPDQCNOLGLNQQ-UHFFFAOYSA-N 2 1 304.482 2.847 20 0 DFADMP CC(C)CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000638062827 430223283 /nfs/dbraw/zinc/22/32/83/430223283.db2.gz IOMCGKDXOYOMST-GOSISDBHSA-N 2 1 319.493 2.907 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000638063370 430223978 /nfs/dbraw/zinc/22/39/78/430223978.db2.gz MFEUPTFGUXLJOJ-HOTGVXAUSA-N 2 1 317.477 2.533 20 0 DFADMP C[N@H+](Cc1ccc(=O)[nH]c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638066187 430224050 /nfs/dbraw/zinc/22/40/50/430224050.db2.gz FECRTSIOBNASJZ-SFHVURJKSA-N 2 1 311.429 2.741 20 0 DFADMP C[NH+](Cc1ccc(=O)[nH]c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638066187 430224062 /nfs/dbraw/zinc/22/40/62/430224062.db2.gz FECRTSIOBNASJZ-SFHVURJKSA-N 2 1 311.429 2.741 20 0 DFADMP C[NH+](Cc1ccc(=O)[nH]c1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638066187 430224067 /nfs/dbraw/zinc/22/40/67/430224067.db2.gz FECRTSIOBNASJZ-SFHVURJKSA-N 2 1 311.429 2.741 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488380 430215418 /nfs/dbraw/zinc/21/54/18/430215418.db2.gz FTNKJNZSCCLHTF-MAUKXSAKSA-N 2 1 320.477 2.608 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488380 430215420 /nfs/dbraw/zinc/21/54/20/430215420.db2.gz FTNKJNZSCCLHTF-MAUKXSAKSA-N 2 1 320.477 2.608 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488380 430215425 /nfs/dbraw/zinc/21/54/25/430215425.db2.gz FTNKJNZSCCLHTF-MAUKXSAKSA-N 2 1 320.477 2.608 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@@H](C)C1CC1 ZINC000565488380 430215429 /nfs/dbraw/zinc/21/54/29/430215429.db2.gz FTNKJNZSCCLHTF-MAUKXSAKSA-N 2 1 320.477 2.608 20 0 DFADMP C[C@H](C(=O)NC[C@H](c1cccc(Cl)c1)[NH+]1CCCC1)[NH+](C)C ZINC000635275922 430242866 /nfs/dbraw/zinc/24/28/66/430242866.db2.gz BIBSTKAUMACIKG-CZUORRHYSA-N 2 1 323.868 2.543 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N(CCC[NH3+])Cc1ccccc1 ZINC000566205856 430248042 /nfs/dbraw/zinc/24/80/42/430248042.db2.gz FCVBYFPJHPISKL-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635323718 430254206 /nfs/dbraw/zinc/25/42/06/430254206.db2.gz AVQBCCSJEIJFOC-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635323718 430254210 /nfs/dbraw/zinc/25/42/10/430254210.db2.gz AVQBCCSJEIJFOC-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635323718 430254214 /nfs/dbraw/zinc/25/42/14/430254214.db2.gz AVQBCCSJEIJFOC-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP CC1CC[NH+](CCCCNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000635341543 430257193 /nfs/dbraw/zinc/25/71/93/430257193.db2.gz NXEIBCRCVUYOIB-UHFFFAOYSA-N 2 1 311.514 2.593 20 0 DFADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(F)c1 ZINC000638182228 430263679 /nfs/dbraw/zinc/26/36/79/430263679.db2.gz PEIHSEWEBXGROB-RYQLBKOJSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(F)c1 ZINC000638182228 430263683 /nfs/dbraw/zinc/26/36/83/430263683.db2.gz PEIHSEWEBXGROB-RYQLBKOJSA-N 2 1 306.425 2.818 20 0 DFADMP Nc1c(F)cccc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638180934 430264649 /nfs/dbraw/zinc/26/46/49/430264649.db2.gz LIUCMKMDFLLTTI-GUYCJALGSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638180934 430264651 /nfs/dbraw/zinc/26/46/51/430264651.db2.gz LIUCMKMDFLLTTI-GUYCJALGSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638180934 430264654 /nfs/dbraw/zinc/26/46/54/430264654.db2.gz LIUCMKMDFLLTTI-GUYCJALGSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638180934 430264656 /nfs/dbraw/zinc/26/46/56/430264656.db2.gz LIUCMKMDFLLTTI-GUYCJALGSA-N 2 1 303.425 2.857 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnc(-c2ccccn2)s1 ZINC000582268871 430283752 /nfs/dbraw/zinc/28/37/52/430283752.db2.gz GXCNTZVIHADVNJ-XJKSGUPXSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000582268871 430283755 /nfs/dbraw/zinc/28/37/55/430283755.db2.gz GXCNTZVIHADVNJ-XJKSGUPXSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000582268871 430283758 /nfs/dbraw/zinc/28/37/58/430283758.db2.gz GXCNTZVIHADVNJ-XJKSGUPXSA-N 2 1 316.474 2.977 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CCC(C)C)CC1 ZINC000638066399 430226314 /nfs/dbraw/zinc/22/63/14/430226314.db2.gz ICGGBDHWBVKRED-QGZVFWFLSA-N 2 1 311.514 2.720 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635189064 430226452 /nfs/dbraw/zinc/22/64/52/430226452.db2.gz OKWIOHUXLCJWNF-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635189066 430226760 /nfs/dbraw/zinc/22/67/60/430226760.db2.gz OKWIOHUXLCJWNF-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NCC[NH2+]C1CCCCCC1 ZINC000565774232 430226829 /nfs/dbraw/zinc/22/68/29/430226829.db2.gz YSOJCMIUCYXLCR-QGZVFWFLSA-N 2 1 309.498 2.680 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000581654650 430229104 /nfs/dbraw/zinc/22/91/04/430229104.db2.gz IRHQMWNAYNYQGL-CVEARBPZSA-N 2 1 320.477 2.875 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638082133 430230985 /nfs/dbraw/zinc/23/09/85/430230985.db2.gz FHUBFBRNGXVZNR-UHFFFAOYSA-N 2 1 320.477 2.623 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CC(C)(C)Oc2ccccc2)CC1 ZINC000638082133 430230989 /nfs/dbraw/zinc/23/09/89/430230989.db2.gz FHUBFBRNGXVZNR-UHFFFAOYSA-N 2 1 320.477 2.623 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000581735436 430237857 /nfs/dbraw/zinc/23/78/57/430237857.db2.gz QEBJUNJXUIMDKU-WBMJQRKESA-N 2 1 323.868 2.542 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000581735436 430237860 /nfs/dbraw/zinc/23/78/60/430237860.db2.gz QEBJUNJXUIMDKU-WBMJQRKESA-N 2 1 323.868 2.542 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000581735544 430237975 /nfs/dbraw/zinc/23/79/75/430237975.db2.gz UHRDZNUATNGCQQ-INIZCTEOSA-N 2 1 319.493 2.641 20 0 DFADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(C)c1OC ZINC000582932425 430348811 /nfs/dbraw/zinc/34/88/11/430348811.db2.gz DUNAFNGAPMEOBQ-XJKSGUPXSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c(C)c1OC ZINC000582932425 430348815 /nfs/dbraw/zinc/34/88/15/430348815.db2.gz DUNAFNGAPMEOBQ-XJKSGUPXSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1OC ZINC000582932425 430348817 /nfs/dbraw/zinc/34/88/17/430348817.db2.gz DUNAFNGAPMEOBQ-XJKSGUPXSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1OC ZINC000582932425 430348820 /nfs/dbraw/zinc/34/88/20/430348820.db2.gz DUNAFNGAPMEOBQ-XJKSGUPXSA-N 2 1 306.450 2.784 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000567747883 430288433 /nfs/dbraw/zinc/28/84/33/430288433.db2.gz CMGAWXTVDLAZBM-MANSERQUSA-N 2 1 302.462 2.567 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000567747883 430288438 /nfs/dbraw/zinc/28/84/38/430288438.db2.gz CMGAWXTVDLAZBM-MANSERQUSA-N 2 1 302.462 2.567 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000567747883 430288439 /nfs/dbraw/zinc/28/84/39/430288439.db2.gz CMGAWXTVDLAZBM-MANSERQUSA-N 2 1 302.462 2.567 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000567747883 430288442 /nfs/dbraw/zinc/28/84/42/430288442.db2.gz CMGAWXTVDLAZBM-MANSERQUSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000638299928 430297000 /nfs/dbraw/zinc/29/70/00/430297000.db2.gz FOPZCCVVSPPGJR-CVEARBPZSA-N 2 1 309.498 2.678 20 0 DFADMP COCC[NH2+]C1CC[NH+](CCCOc2ccc(C)c(C)c2)CC1 ZINC000582425779 430298677 /nfs/dbraw/zinc/29/86/77/430298677.db2.gz NBGGUSJNWIGYJA-UHFFFAOYSA-N 2 1 320.477 2.773 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC1(F)F ZINC000638305426 430298822 /nfs/dbraw/zinc/29/88/22/430298822.db2.gz XJFJXVJDYKOMOQ-CZUORRHYSA-N 2 1 310.388 2.652 20 0 DFADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cccc(Cl)c1 ZINC000582486168 430304115 /nfs/dbraw/zinc/30/41/15/430304115.db2.gz GZXUJCFFPIFBHP-QGZVFWFLSA-N 2 1 321.852 2.744 20 0 DFADMP CC(C)CN(C(=O)Cn1cc[nH+]c1C(C)C)C1CC[NH+](C)CC1 ZINC000635559712 430306124 /nfs/dbraw/zinc/30/61/24/430306124.db2.gz VBPZDLRAGYQJHO-UHFFFAOYSA-N 2 1 320.481 2.585 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000635564034 430307536 /nfs/dbraw/zinc/30/75/36/430307536.db2.gz ATDLAGVCEZRAIT-KSZLIROESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000635564034 430307540 /nfs/dbraw/zinc/30/75/40/430307540.db2.gz ATDLAGVCEZRAIT-KSZLIROESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000635564034 430307542 /nfs/dbraw/zinc/30/75/42/430307542.db2.gz ATDLAGVCEZRAIT-KSZLIROESA-N 2 1 321.509 2.584 20 0 DFADMP COc1cc(F)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000568034140 430309344 /nfs/dbraw/zinc/30/93/44/430309344.db2.gz JTBCFZOAZIYJMY-CYBMUJFWSA-N 2 1 310.413 2.664 20 0 DFADMP c1cnn(C2CC([NH2+]C3CC[NH+](CCc4ccccc4)CC3)C2)c1 ZINC000638341856 430309766 /nfs/dbraw/zinc/30/97/66/430309766.db2.gz CLIHCNYCHAHSSB-UHFFFAOYSA-N 2 1 324.472 2.883 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(CC[NH+]2CCCCC2)nn1 ZINC000641170098 430350639 /nfs/dbraw/zinc/35/06/39/430350639.db2.gz VSCBSPJSCVNIGK-SFHVURJKSA-N 2 1 319.497 2.569 20 0 DFADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1)CC(C)C ZINC000638354006 430313018 /nfs/dbraw/zinc/31/30/18/430313018.db2.gz UOUQXIDBRCVXNT-ZACQAIPSSA-N 2 1 311.514 2.780 20 0 DFADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000568167568 430322534 /nfs/dbraw/zinc/32/25/34/430322534.db2.gz JCRTZNPGTGGVKY-MSOLQXFVSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1cccc(C)c1)C(C)(C)C ZINC000568167568 430322540 /nfs/dbraw/zinc/32/25/40/430322540.db2.gz JCRTZNPGTGGVKY-MSOLQXFVSA-N 2 1 322.493 2.611 20 0 DFADMP CC[C@H](C)CN(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568188946 430328478 /nfs/dbraw/zinc/32/84/78/430328478.db2.gz XIBFXFRTORPGPP-INIZCTEOSA-N 2 1 323.525 2.687 20 0 DFADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000545866842 430330662 /nfs/dbraw/zinc/33/06/62/430330662.db2.gz YSVDCFTWWCPCKV-ZWKOTPCHSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000545866842 430330666 /nfs/dbraw/zinc/33/06/66/430330666.db2.gz YSVDCFTWWCPCKV-ZWKOTPCHSA-N 2 1 324.896 2.953 20 0 DFADMP Cc1ncc(C[NH2+]Cc2ccc(F)cc2Br)n1C ZINC000582796265 430336087 /nfs/dbraw/zinc/33/60/87/430336087.db2.gz ALEYZINUICMXAP-UHFFFAOYSA-N 2 1 312.186 2.920 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[N@H+]3CCC(C)(C)C3)ccc21 ZINC000568230280 430337463 /nfs/dbraw/zinc/33/74/63/430337463.db2.gz VQUQRPVSWJSAGQ-QGZVFWFLSA-N 2 1 315.461 2.906 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000547732624 430416781 /nfs/dbraw/zinc/41/67/81/430416781.db2.gz LHSAKGPTLDTHMJ-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)sn1 ZINC000638521303 430366226 /nfs/dbraw/zinc/36/62/26/430366226.db2.gz GENSCDKQYBZRCB-MRXNPFEDSA-N 2 1 301.459 2.797 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)sn1 ZINC000638521303 430366231 /nfs/dbraw/zinc/36/62/31/430366231.db2.gz GENSCDKQYBZRCB-MRXNPFEDSA-N 2 1 301.459 2.797 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CS[C@H](C)C3)CC2)oc1C ZINC000638524293 430367097 /nfs/dbraw/zinc/36/70/97/430367097.db2.gz OKNQSDWTIXOZOG-WBMJQRKESA-N 2 1 323.506 2.987 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCCC1 ZINC000638525872 430368238 /nfs/dbraw/zinc/36/82/38/430368238.db2.gz XSWRCKCLLGGERG-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568531954 430369386 /nfs/dbraw/zinc/36/93/86/430369386.db2.gz UUJPJZIAZFRQNQ-QAPCUYQASA-N 2 1 310.445 2.958 20 0 DFADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568531954 430369388 /nfs/dbraw/zinc/36/93/88/430369388.db2.gz UUJPJZIAZFRQNQ-QAPCUYQASA-N 2 1 310.445 2.958 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000568618663 430376271 /nfs/dbraw/zinc/37/62/71/430376271.db2.gz OKXBVZGTCJJOBA-HRCADAONSA-N 2 1 307.507 2.863 20 0 DFADMP CSc1ccc([C@H](CN[C@H](C)[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000583257279 430377232 /nfs/dbraw/zinc/37/72/32/430377232.db2.gz XBOCADYFXPHYIV-KYJSFNMBSA-N 2 1 321.534 2.989 20 0 DFADMP CSc1ccc([C@H](CN[C@@H](C)[C@@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000583257280 430377645 /nfs/dbraw/zinc/37/76/45/430377645.db2.gz XBOCADYFXPHYIV-LESCRADOSA-N 2 1 321.534 2.989 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638566405 430378196 /nfs/dbraw/zinc/37/81/96/430378196.db2.gz HXFGJFIXCNTEAQ-GVDBMIGSSA-N 2 1 309.498 2.678 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000638566405 430378198 /nfs/dbraw/zinc/37/81/98/430378198.db2.gz HXFGJFIXCNTEAQ-GVDBMIGSSA-N 2 1 309.498 2.678 20 0 DFADMP CCCN(CC[NH+](CC)CC)C(=O)Cn1cc[nH+]c1C(C)C ZINC000635802191 430381377 /nfs/dbraw/zinc/38/13/77/430381377.db2.gz PRKUZHCBHIGXLH-UHFFFAOYSA-N 2 1 308.470 2.587 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000568740310 430385943 /nfs/dbraw/zinc/38/59/43/430385943.db2.gz FEMUPDZMUJCOCP-TZMCWYRMSA-N 2 1 309.841 2.741 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@H](O)CC(F)(F)F)c1 ZINC000568741372 430387882 /nfs/dbraw/zinc/38/78/82/430387882.db2.gz SKPJSEVQZUFYCC-AWEZNQCLSA-N 2 1 304.356 2.541 20 0 DFADMP COc1ccc([C@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)c(F)c1 ZINC000568855059 430398959 /nfs/dbraw/zinc/39/89/59/430398959.db2.gz VPNBHABUEKVFFP-QGZVFWFLSA-N 2 1 303.381 2.851 20 0 DFADMP C[NH+](C)Cc1cc(NC(=O)C2(C[NH+](C)C)CC2)ccc1Cl ZINC000635893557 430406894 /nfs/dbraw/zinc/40/68/94/430406894.db2.gz UUVIYJLVZUVKND-UHFFFAOYSA-N 2 1 309.841 2.682 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000569212764 430433735 /nfs/dbraw/zinc/43/37/35/430433735.db2.gz OAJWQSVMPSNPSH-UHFFFAOYSA-N 2 1 320.824 2.853 20 0 DFADMP C[C@H]1C[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000548060381 430442051 /nfs/dbraw/zinc/44/20/51/430442051.db2.gz WGHYGWIDVNSQDB-DOTOQJQBSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@H]1C[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548060381 430442055 /nfs/dbraw/zinc/44/20/55/430442055.db2.gz WGHYGWIDVNSQDB-DOTOQJQBSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@H]1C[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548060381 430442058 /nfs/dbraw/zinc/44/20/58/430442058.db2.gz WGHYGWIDVNSQDB-DOTOQJQBSA-N 2 1 309.498 2.582 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@@H]1CCCC[NH+]1C1CC1)C1CCCCC1 ZINC000548065381 430443116 /nfs/dbraw/zinc/44/31/16/430443116.db2.gz HTDXLSHRILLFNX-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000548060844 430444230 /nfs/dbraw/zinc/44/42/30/430444230.db2.gz SVDSXHCJKHXDNN-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548064642 430444303 /nfs/dbraw/zinc/44/43/03/430444303.db2.gz RJLBKQMMOPVMBG-MRXNPFEDSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](C)CC1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548064783 430444452 /nfs/dbraw/zinc/44/44/52/430444452.db2.gz ATKILAIHWZOOQT-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1N ZINC000641733972 430455928 /nfs/dbraw/zinc/45/59/28/430455928.db2.gz WEYWFWNOOUIPOW-BEFAXECRSA-N 2 1 310.445 2.664 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1N ZINC000641733972 430455930 /nfs/dbraw/zinc/45/59/30/430455930.db2.gz WEYWFWNOOUIPOW-BEFAXECRSA-N 2 1 310.445 2.664 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CN[C@@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000569737867 430482055 /nfs/dbraw/zinc/48/20/55/430482055.db2.gz DZNWMOHPIRRIQS-DOTOQJQBSA-N 2 1 313.449 2.604 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCCC[NH2+]1 ZINC000569579450 430468665 /nfs/dbraw/zinc/46/86/65/430468665.db2.gz MVPQKQXTIVYWCM-GOSISDBHSA-N 2 1 317.477 2.675 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@H]1CCCn2ccnc21)C1CCCCC1 ZINC000548392829 430469450 /nfs/dbraw/zinc/46/94/50/430469450.db2.gz HDRVJIRHEQJMEQ-OAHLLOKOSA-N 2 1 318.465 2.531 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C\c1ccc(F)cc1F ZINC000641772505 430469622 /nfs/dbraw/zinc/46/96/22/430469622.db2.gz PLKRJCICIOCDEQ-KJPDOMRESA-N 2 1 312.404 2.660 20 0 DFADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803366 430476654 /nfs/dbraw/zinc/47/66/54/430476654.db2.gz CCJNULLZWDYFMA-HOTGVXAUSA-N 2 1 317.477 2.529 20 0 DFADMP O=C(CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000569686686 430477271 /nfs/dbraw/zinc/47/72/71/430477271.db2.gz TXHOFEPYIRTBGC-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)[C@H]1CCC[NH2+]C1 ZINC000569684275 430477870 /nfs/dbraw/zinc/47/78/70/430477870.db2.gz QAPIRPOVZOYFFH-NEPJUHHUSA-N 2 1 306.841 2.704 20 0 DFADMP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641808469 430480161 /nfs/dbraw/zinc/48/01/61/430480161.db2.gz YNFPIKZZMCJXGM-RCBQFDQVSA-N 2 1 303.450 2.854 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CCCNC(=O)C2)cc1 ZINC000638768756 430428982 /nfs/dbraw/zinc/42/89/82/430428982.db2.gz FHJAUKGLLNXSKC-CJNGLKHVSA-N 2 1 312.417 2.500 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000641818036 430482649 /nfs/dbraw/zinc/48/26/49/430482649.db2.gz CCJLVBFFHAERKX-OWSLCNJRSA-N 2 1 322.493 2.839 20 0 DFADMP C[C@H]([NH2+]C1CC(n2cccn2)C1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638973184 430485390 /nfs/dbraw/zinc/48/53/90/430485390.db2.gz YFIDRLXOTSZYTK-WMTDPASSSA-N 2 1 302.466 2.829 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000636203831 430485758 /nfs/dbraw/zinc/48/57/58/430485758.db2.gz ZUAIAEBIXSUBAS-OAHLLOKOSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000636203831 430485761 /nfs/dbraw/zinc/48/57/61/430485761.db2.gz ZUAIAEBIXSUBAS-OAHLLOKOSA-N 2 1 318.465 2.530 20 0 DFADMP Cc1ccc(CC[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000638977568 430487125 /nfs/dbraw/zinc/48/71/25/430487125.db2.gz VAVCYHFUPNRKAM-OAQYLSRUSA-N 2 1 324.468 2.894 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1conc1Cc1ccccc1)C2 ZINC000550199049 430540386 /nfs/dbraw/zinc/54/03/86/430540386.db2.gz PUMVZCOSQCZHFL-INIZCTEOSA-N 2 1 322.412 2.814 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2ccccn21 ZINC000569817351 430488294 /nfs/dbraw/zinc/48/82/94/430488294.db2.gz KTCWRBDTAZOFKR-CABCVRRESA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c2ccccn21 ZINC000569817351 430488298 /nfs/dbraw/zinc/48/82/98/430488298.db2.gz KTCWRBDTAZOFKR-CABCVRRESA-N 2 1 300.450 2.982 20 0 DFADMP CC[NH2+]CCCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000569833908 430490173 /nfs/dbraw/zinc/49/01/73/430490173.db2.gz HXTGVZPFIOODRU-LDLYASANSA-N 2 1 301.478 2.771 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000569833908 430490178 /nfs/dbraw/zinc/49/01/78/430490178.db2.gz HXTGVZPFIOODRU-LDLYASANSA-N 3 1 301.478 2.771 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000569833908 430490183 /nfs/dbraw/zinc/49/01/83/430490183.db2.gz HXTGVZPFIOODRU-LDLYASANSA-N 3 1 301.478 2.771 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548716638 430494955 /nfs/dbraw/zinc/49/49/55/430494955.db2.gz QMOPNOZQSLINMU-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716638 430494959 /nfs/dbraw/zinc/49/49/59/430494959.db2.gz QMOPNOZQSLINMU-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCC[C@H]2CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716638 430494962 /nfs/dbraw/zinc/49/49/62/430494962.db2.gz QMOPNOZQSLINMU-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000636253109 430496099 /nfs/dbraw/zinc/49/60/99/430496099.db2.gz GNXDCNZRBFGMBM-MRXNPFEDSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000636253109 430496102 /nfs/dbraw/zinc/49/61/02/430496102.db2.gz GNXDCNZRBFGMBM-MRXNPFEDSA-N 2 1 318.465 2.530 20 0 DFADMP Cn1ccc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000639047598 430502355 /nfs/dbraw/zinc/50/23/55/430502355.db2.gz LTFUZVLZUBYYPR-AZUAARDMSA-N 2 1 324.472 2.920 20 0 DFADMP Cn1ccc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000639047598 430502358 /nfs/dbraw/zinc/50/23/58/430502358.db2.gz LTFUZVLZUBYYPR-AZUAARDMSA-N 2 1 324.472 2.920 20 0 DFADMP COc1cccc(OC)c1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077493 430514762 /nfs/dbraw/zinc/51/47/62/430514762.db2.gz MPEKULPGUHNNKW-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cccc(OC)c1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077493 430514766 /nfs/dbraw/zinc/51/47/66/430514766.db2.gz MPEKULPGUHNNKW-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCc2nccn2C1 ZINC000639078338 430515681 /nfs/dbraw/zinc/51/56/81/430515681.db2.gz ZLNZONILZDLJPN-ZWKOTPCHSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639078338 430515683 /nfs/dbraw/zinc/51/56/83/430515683.db2.gz ZLNZONILZDLJPN-ZWKOTPCHSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639078338 430515687 /nfs/dbraw/zinc/51/56/87/430515687.db2.gz ZLNZONILZDLJPN-ZWKOTPCHSA-N 2 1 324.472 2.904 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000549097382 430516777 /nfs/dbraw/zinc/51/67/77/430516777.db2.gz ORECPJAQSDMTSY-KRWDZBQOSA-N 2 1 317.477 2.600 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CCSCC2)C1 ZINC000639082403 430517121 /nfs/dbraw/zinc/51/71/21/430517121.db2.gz ZWOQLAFYUZDGPZ-SFHVURJKSA-N 2 1 319.518 2.979 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CCSCC2)C1 ZINC000639082403 430517126 /nfs/dbraw/zinc/51/71/26/430517126.db2.gz ZWOQLAFYUZDGPZ-SFHVURJKSA-N 2 1 319.518 2.979 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CCSCC2)C1 ZINC000639082403 430517128 /nfs/dbraw/zinc/51/71/28/430517128.db2.gz ZWOQLAFYUZDGPZ-SFHVURJKSA-N 2 1 319.518 2.979 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2CCSCC2)C1 ZINC000639082403 430517132 /nfs/dbraw/zinc/51/71/32/430517132.db2.gz ZWOQLAFYUZDGPZ-SFHVURJKSA-N 2 1 319.518 2.979 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@@H]1CC[NH+](C)C1)CC2 ZINC000639082385 430517167 /nfs/dbraw/zinc/51/71/67/430517167.db2.gz ZMTLFODOOWULBK-CZUORRHYSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC000639082385 430517170 /nfs/dbraw/zinc/51/71/70/430517170.db2.gz ZMTLFODOOWULBK-CZUORRHYSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000639082385 430517174 /nfs/dbraw/zinc/51/71/74/430517174.db2.gz ZMTLFODOOWULBK-CZUORRHYSA-N 2 1 304.434 2.575 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000549755442 430530096 /nfs/dbraw/zinc/53/00/96/430530096.db2.gz MLUZWOVROXADBB-BBWFWOEESA-N 2 1 310.482 2.820 20 0 DFADMP C[N@@H+](Cc1cccc(Oc2ccc(Cl)cc2)c1)C[C@H](O)C[NH3+] ZINC000643075228 430548700 /nfs/dbraw/zinc/54/87/00/430548700.db2.gz VHNUIWSZAVSKSI-OAHLLOKOSA-N 2 1 320.820 2.884 20 0 DFADMP C[N@H+](Cc1cccc(Oc2ccc(Cl)cc2)c1)C[C@H](O)C[NH3+] ZINC000643075228 430548703 /nfs/dbraw/zinc/54/87/03/430548703.db2.gz VHNUIWSZAVSKSI-OAHLLOKOSA-N 2 1 320.820 2.884 20 0 DFADMP Cc1nc(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000570529191 430553053 /nfs/dbraw/zinc/55/30/53/430553053.db2.gz LRRPKKBMJJJLFB-RKDXNWHRSA-N 2 1 304.257 2.574 20 0 DFADMP Cn1ccnc1[C@@H](C1CC1)[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176481 430555790 /nfs/dbraw/zinc/55/57/90/430555790.db2.gz HVCGXSNCFMCGBT-IAGOWNOFSA-N 2 1 302.466 2.535 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178947 430558483 /nfs/dbraw/zinc/55/84/83/430558483.db2.gz PVAUKOLACXXNGK-CMKODMSKSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178947 430558486 /nfs/dbraw/zinc/55/84/86/430558486.db2.gz PVAUKOLACXXNGK-CMKODMSKSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178947 430558489 /nfs/dbraw/zinc/55/84/89/430558489.db2.gz PVAUKOLACXXNGK-CMKODMSKSA-N 2 1 313.489 2.929 20 0 DFADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000571088128 430601112 /nfs/dbraw/zinc/60/11/12/430601112.db2.gz MBBGPXOYHZPSOQ-UAGQMJEPSA-N 2 1 311.429 2.803 20 0 DFADMP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552070765 430583025 /nfs/dbraw/zinc/58/30/25/430583025.db2.gz CXRHKIMVMABYNK-IPMKNSEASA-N 2 1 317.477 2.912 20 0 DFADMP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552070766 430583152 /nfs/dbraw/zinc/58/31/52/430583152.db2.gz CXRHKIMVMABYNK-OTWHNJEPSA-N 2 1 317.477 2.912 20 0 DFADMP C[N@@H+](CCCC[NH2+]C[C@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000639244916 430585976 /nfs/dbraw/zinc/58/59/76/430585976.db2.gz QGYGDPBVCKBOKR-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643454233 430602343 /nfs/dbraw/zinc/60/23/43/430602343.db2.gz OEQNMJLBAWHCNZ-WDSOQIARSA-N 2 1 301.478 2.801 20 0 DFADMP CC[C@H](C(=O)OC)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000552441251 430596717 /nfs/dbraw/zinc/59/67/17/430596717.db2.gz UGYSRFJJRMAGKJ-QGZVFWFLSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550621512 430543000 /nfs/dbraw/zinc/54/30/00/430543000.db2.gz DFDANSCZLPWYFQ-JZXOWHBKSA-N 2 1 302.462 2.948 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550793797 430544626 /nfs/dbraw/zinc/54/46/26/430544626.db2.gz AOTVYMSOUQAZQD-MHORFTMASA-N 2 1 316.445 2.753 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550793797 430544631 /nfs/dbraw/zinc/54/46/31/430544631.db2.gz AOTVYMSOUQAZQD-MHORFTMASA-N 2 1 316.445 2.753 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550700404 430545242 /nfs/dbraw/zinc/54/52/42/430545242.db2.gz HVOUHJSGSMMBNQ-SJLPKXTDSA-N 2 1 302.462 2.948 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000643057873 430546302 /nfs/dbraw/zinc/54/63/02/430546302.db2.gz PSEVZZQIXDJAGZ-OAHLLOKOSA-N 2 1 306.450 2.627 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CC(C)(C)OCC2(C)C)cc1 ZINC000643057873 430546306 /nfs/dbraw/zinc/54/63/06/430546306.db2.gz PSEVZZQIXDJAGZ-OAHLLOKOSA-N 2 1 306.450 2.627 20 0 DFADMP CC[C@@](C)(C[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cncn1C)OC ZINC000639155027 430546594 /nfs/dbraw/zinc/54/65/94/430546594.db2.gz LDBCACNIAXYNKU-JQHSSLGASA-N 2 1 322.497 2.550 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1c[nH+]ccc1N ZINC000643462831 430604422 /nfs/dbraw/zinc/60/44/22/430604422.db2.gz MKCQOJVISLCGPX-DGCLKSJQSA-N 2 1 318.371 2.702 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127469 430605192 /nfs/dbraw/zinc/60/51/92/430605192.db2.gz XMJRSBRMLNWYDZ-MISYRCLQSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127469 430605194 /nfs/dbraw/zinc/60/51/94/430605194.db2.gz XMJRSBRMLNWYDZ-MISYRCLQSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127469 430605196 /nfs/dbraw/zinc/60/51/96/430605196.db2.gz XMJRSBRMLNWYDZ-MISYRCLQSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000571127469 430605197 /nfs/dbraw/zinc/60/51/97/430605197.db2.gz XMJRSBRMLNWYDZ-MISYRCLQSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000571127469 430605200 /nfs/dbraw/zinc/60/52/00/430605200.db2.gz XMJRSBRMLNWYDZ-MISYRCLQSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)c1ccsc1 ZINC000552980393 430605507 /nfs/dbraw/zinc/60/55/07/430605507.db2.gz ZBDBJTPJPZFLCN-GDBMZVCRSA-N 2 1 323.506 2.587 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCCC[NH2+]2)C3)cc1 ZINC000643501548 430610364 /nfs/dbraw/zinc/61/03/64/430610364.db2.gz KEPMNBFZRASDOG-YSTOQKLRSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000643507516 430611098 /nfs/dbraw/zinc/61/10/98/430611098.db2.gz HBLFZTJBEOUJHF-SXLOBPIMSA-N 2 1 313.489 2.629 20 0 DFADMP C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000553777260 430622733 /nfs/dbraw/zinc/62/27/33/430622733.db2.gz YVZJCJPJYYDQBO-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)cn2)C1 ZINC000554318050 430632680 /nfs/dbraw/zinc/63/26/80/430632680.db2.gz PGOFVSBOMXMTDP-MRXNPFEDSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)cn2)C1 ZINC000554318050 430632684 /nfs/dbraw/zinc/63/26/84/430632684.db2.gz PGOFVSBOMXMTDP-MRXNPFEDSA-N 2 1 311.857 2.668 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000554560480 430643951 /nfs/dbraw/zinc/64/39/51/430643951.db2.gz QRQAOZBYHXXCIY-CQSZACIVSA-N 2 1 317.433 2.509 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCCN2CCCC2=O)C1 ZINC000554602920 430646129 /nfs/dbraw/zinc/64/61/29/430646129.db2.gz GNGFOOYRKRDISL-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCN2CCCC2=O)C1 ZINC000554602920 430646131 /nfs/dbraw/zinc/64/61/31/430646131.db2.gz GNGFOOYRKRDISL-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCN2CCCC2=O)C1 ZINC000554602920 430646135 /nfs/dbraw/zinc/64/61/35/430646135.db2.gz GNGFOOYRKRDISL-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCN2CCCC2=O)C1 ZINC000554602920 430646137 /nfs/dbraw/zinc/64/61/37/430646137.db2.gz GNGFOOYRKRDISL-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)CCCC2)CC1 ZINC000571748040 430649386 /nfs/dbraw/zinc/64/93/86/430649386.db2.gz OSRULPWSKBFKLP-BJWYYQGGSA-N 2 1 324.509 2.956 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000367402129 277997197 /nfs/dbraw/zinc/99/71/97/277997197.db2.gz POCZSOSPUXEGRR-BXUZGUMPSA-N 2 1 301.365 2.623 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639615389 430681253 /nfs/dbraw/zinc/68/12/53/430681253.db2.gz OCWFCHZYCGXCQL-QZTJIDSGSA-N 2 1 317.477 2.650 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639615389 430681256 /nfs/dbraw/zinc/68/12/56/430681256.db2.gz OCWFCHZYCGXCQL-QZTJIDSGSA-N 2 1 317.477 2.650 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639615389 430681258 /nfs/dbraw/zinc/68/12/58/430681258.db2.gz OCWFCHZYCGXCQL-QZTJIDSGSA-N 2 1 317.477 2.650 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CC(C)(C)CO2)C1 ZINC000639615389 430681261 /nfs/dbraw/zinc/68/12/61/430681261.db2.gz OCWFCHZYCGXCQL-QZTJIDSGSA-N 2 1 317.477 2.650 20 0 DFADMP CSC1(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000283849264 278123328 /nfs/dbraw/zinc/12/33/28/278123328.db2.gz DIQSYJDQDIKSGN-INIZCTEOSA-N 2 1 305.491 2.731 20 0 DFADMP CSC1(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000283849264 278123329 /nfs/dbraw/zinc/12/33/29/278123329.db2.gz DIQSYJDQDIKSGN-INIZCTEOSA-N 2 1 305.491 2.731 20 0 DFADMP CSC1(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000283849264 278123331 /nfs/dbraw/zinc/12/33/31/278123331.db2.gz DIQSYJDQDIKSGN-INIZCTEOSA-N 2 1 305.491 2.731 20 0 DFADMP CSC1(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000283849264 278123332 /nfs/dbraw/zinc/12/33/32/278123332.db2.gz DIQSYJDQDIKSGN-INIZCTEOSA-N 2 1 305.491 2.731 20 0 DFADMP CCc1ncc(CN[C@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000556444619 430685589 /nfs/dbraw/zinc/68/55/89/430685589.db2.gz OTPRKKSHMZCQJD-YOEHRIQHSA-N 2 1 314.433 2.632 20 0 DFADMP CCc1ncc(CN[C@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)o1 ZINC000556444619 430685591 /nfs/dbraw/zinc/68/55/91/430685591.db2.gz OTPRKKSHMZCQJD-YOEHRIQHSA-N 2 1 314.433 2.632 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269015804 278160061 /nfs/dbraw/zinc/16/00/61/278160061.db2.gz OIAPAQMVRBJPIG-CYGHRXIMSA-N 2 1 322.518 2.599 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269015804 278160062 /nfs/dbraw/zinc/16/00/62/278160062.db2.gz OIAPAQMVRBJPIG-CYGHRXIMSA-N 2 1 322.518 2.599 20 0 DFADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1 ZINC000556875643 430695136 /nfs/dbraw/zinc/69/51/36/430695136.db2.gz AHQSZGZJJHOHAN-QRVBRYPASA-N 2 1 301.478 2.975 20 0 DFADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C2CC2)CC1 ZINC000297799565 278242213 /nfs/dbraw/zinc/24/22/13/278242213.db2.gz XHVHSIGCUZSQRK-INIZCTEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000274928848 278284236 /nfs/dbraw/zinc/28/42/36/278284236.db2.gz QNICHMBJEQLARC-LNLFQRSKSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000274928848 278284237 /nfs/dbraw/zinc/28/42/37/278284237.db2.gz QNICHMBJEQLARC-LNLFQRSKSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000274928848 278284238 /nfs/dbraw/zinc/28/42/38/278284238.db2.gz QNICHMBJEQLARC-LNLFQRSKSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928848 278284240 /nfs/dbraw/zinc/28/42/40/278284240.db2.gz QNICHMBJEQLARC-LNLFQRSKSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928848 278284242 /nfs/dbraw/zinc/28/42/42/278284242.db2.gz QNICHMBJEQLARC-LNLFQRSKSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000556937394 430696393 /nfs/dbraw/zinc/69/63/93/430696393.db2.gz NNPGSVITUCJXLQ-OAHLLOKOSA-N 2 1 314.433 2.897 20 0 DFADMP C[C@@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277335391 278340104 /nfs/dbraw/zinc/34/01/04/278340104.db2.gz UPKGTVSJFMWRPJ-SJLPKXTDSA-N 2 1 318.461 2.640 20 0 DFADMP CC(C)O[C@@H]1CC[NH+]([C@@H](C)CC[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000572957411 430698551 /nfs/dbraw/zinc/69/85/51/430698551.db2.gz APHHULNSTOOYEH-RCCFBDPRSA-N 2 1 312.498 2.764 20 0 DFADMP CC(C)O[C@@H]1CC[NH+](CC[C@H](C)[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000572957411 430698552 /nfs/dbraw/zinc/69/85/52/430698552.db2.gz APHHULNSTOOYEH-RCCFBDPRSA-N 2 1 312.498 2.764 20 0 DFADMP CC(C)O[C@@H]1CC[NH+](CC[C@H](C)[N@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000572957411 430698553 /nfs/dbraw/zinc/69/85/53/430698553.db2.gz APHHULNSTOOYEH-RCCFBDPRSA-N 2 1 312.498 2.764 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364664407 278372857 /nfs/dbraw/zinc/37/28/57/278372857.db2.gz YRKDJVLASPGAIX-BZUAXINKSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364664407 278372859 /nfs/dbraw/zinc/37/28/59/278372859.db2.gz YRKDJVLASPGAIX-BZUAXINKSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364664407 278372863 /nfs/dbraw/zinc/37/28/63/278372863.db2.gz YRKDJVLASPGAIX-BZUAXINKSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364664407 278372864 /nfs/dbraw/zinc/37/28/64/278372864.db2.gz YRKDJVLASPGAIX-BZUAXINKSA-N 2 1 308.466 2.524 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2CCc3ccccc3C2)CC1 ZINC000359587544 278393103 /nfs/dbraw/zinc/39/31/03/278393103.db2.gz FCILMUGATARLKM-IAGOWNOFSA-N 2 1 316.489 2.569 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](C)c2ccccc2)CC1 ZINC000246949402 278395377 /nfs/dbraw/zinc/39/53/77/278395377.db2.gz CTAWEMPXJLOKGH-DLBZAZTESA-N 2 1 304.478 2.815 20 0 DFADMP OC(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)(C1CC1)C1CC1 ZINC000657698430 430708835 /nfs/dbraw/zinc/70/88/35/430708835.db2.gz SQNUGHFVNVLBSW-UHFFFAOYSA-N 2 1 314.473 2.792 20 0 DFADMP c1c2ccncc2sc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751078 430725145 /nfs/dbraw/zinc/72/51/45/430725145.db2.gz FRBFZBZHWFGYKW-HNNXBMFYSA-N 2 1 317.458 2.639 20 0 DFADMP COc1ccc([C@@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657753610 430725677 /nfs/dbraw/zinc/72/56/77/430725677.db2.gz YGFPIBADAHNLLL-YJBOKZPZSA-N 2 1 318.461 2.642 20 0 DFADMP COC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)c1cccc(OC)c1 ZINC000661472524 430727958 /nfs/dbraw/zinc/72/79/58/430727958.db2.gz FNYLHKFWBKMRGE-GOSISDBHSA-N 2 1 317.433 2.958 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCC(C)(F)F ZINC000644655581 430781038 /nfs/dbraw/zinc/78/10/38/430781038.db2.gz HSUROOFOKPRJTI-HNNXBMFYSA-N 2 1 300.393 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCC(C)(F)F ZINC000644655581 430781041 /nfs/dbraw/zinc/78/10/41/430781041.db2.gz HSUROOFOKPRJTI-HNNXBMFYSA-N 2 1 300.393 2.504 20 0 DFADMP CO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657789472 430734183 /nfs/dbraw/zinc/73/41/83/430734183.db2.gz FPBYAEBVMFIVGR-MSOLQXFVSA-N 2 1 306.425 2.600 20 0 DFADMP OCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657811099 430741175 /nfs/dbraw/zinc/74/11/75/430741175.db2.gz QMJLFEGNJMLOHR-ADKAHSJRSA-N 2 1 300.446 2.544 20 0 DFADMP OCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657811099 430741179 /nfs/dbraw/zinc/74/11/79/430741179.db2.gz QMJLFEGNJMLOHR-ADKAHSJRSA-N 2 1 300.446 2.544 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1cc2ccccc2[nH]1 ZINC000644532032 430745301 /nfs/dbraw/zinc/74/53/01/430745301.db2.gz SSCGNWVSRWNVPK-IBGZPJMESA-N 2 1 323.440 2.750 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CNCc1cc2ccccc2[nH]1 ZINC000644532032 430745306 /nfs/dbraw/zinc/74/53/06/430745306.db2.gz SSCGNWVSRWNVPK-IBGZPJMESA-N 2 1 323.440 2.750 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCSCC2)c1 ZINC000657822776 430746430 /nfs/dbraw/zinc/74/64/30/430746430.db2.gz AZYMINNCIOWNMD-SFHVURJKSA-N 2 1 320.502 2.894 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc(-c2ccccc2)nn1C ZINC000651294219 430759936 /nfs/dbraw/zinc/75/99/36/430759936.db2.gz RCTUOFYYQXKMLZ-GDBMZVCRSA-N 2 1 321.428 2.949 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(CF)(CF)C2)[C@H](C)C1 ZINC000657884540 430761051 /nfs/dbraw/zinc/76/10/51/430761051.db2.gz VGGFXIPXEGREDU-GDBMZVCRSA-N 2 1 318.452 2.801 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCSCC2)[C@H](C)C1 ZINC000657884455 430761231 /nfs/dbraw/zinc/76/12/31/430761231.db2.gz ULFBYIWWZHYUHZ-IKGGRYGDSA-N 2 1 314.539 2.999 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000644637430 430776741 /nfs/dbraw/zinc/77/67/41/430776741.db2.gz HGEAUQYFTZZSBE-JKSUJKDBSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000644637430 430776745 /nfs/dbraw/zinc/77/67/45/430776745.db2.gz HGEAUQYFTZZSBE-JKSUJKDBSA-N 2 1 312.404 2.504 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000648412668 430778876 /nfs/dbraw/zinc/77/88/76/430778876.db2.gz IDHRFMIFRFLZKM-RTBURBONSA-N 2 1 302.462 2.982 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000648412668 430778879 /nfs/dbraw/zinc/77/88/79/430778879.db2.gz IDHRFMIFRFLZKM-RTBURBONSA-N 2 1 302.462 2.982 20 0 DFADMP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658140352 430822392 /nfs/dbraw/zinc/82/23/92/430822392.db2.gz PZZNQKRZHZBRNE-ZWKOTPCHSA-N 2 1 302.462 2.922 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000648560737 430823113 /nfs/dbraw/zinc/82/31/13/430823113.db2.gz MXFZIRGJDUHMJO-ATZDWAIDSA-N 2 1 302.462 2.849 20 0 DFADMP CC1(C)CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000658136632 430824194 /nfs/dbraw/zinc/82/41/94/430824194.db2.gz HNZGVVQAMZWOAW-ZWKOTPCHSA-N 2 1 302.462 2.922 20 0 DFADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@@H+]1CCn1ccnc1 ZINC000661735917 430824536 /nfs/dbraw/zinc/82/45/36/430824536.db2.gz KNEQDDYXYBAVHW-INIZCTEOSA-N 2 1 303.381 2.874 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3ccccc3C2)CC1(C)C ZINC000648567339 430824744 /nfs/dbraw/zinc/82/47/44/430824744.db2.gz NTLZDPFHTFVVJZ-IBGZPJMESA-N 2 1 315.505 2.550 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H]2CCCc3ccccc3C2)CCOCC1 ZINC000648455661 430792903 /nfs/dbraw/zinc/79/29/03/430792903.db2.gz KFTNBEPJMRKASY-GOSISDBHSA-N 2 1 302.462 2.634 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000651467928 430802821 /nfs/dbraw/zinc/80/28/21/430802821.db2.gz NFSXALQIQNOEOJ-IFOPZJACSA-N 2 1 302.409 2.999 20 0 DFADMP CC(=O)NCc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000665234978 430862810 /nfs/dbraw/zinc/86/28/10/430862810.db2.gz NOHISSZFWZXXCH-MOPGFXCFSA-N 2 1 309.413 2.557 20 0 DFADMP CCC[N@@H+]1CC[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286523 430863059 /nfs/dbraw/zinc/86/30/59/430863059.db2.gz AMIRRWAXVYNKMZ-AEFFLSMTSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286523 430863062 /nfs/dbraw/zinc/86/30/62/430863062.db2.gz AMIRRWAXVYNKMZ-AEFFLSMTSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@@H+]1CC[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287893 430863087 /nfs/dbraw/zinc/86/30/87/430863087.db2.gz ONESBTZSCDTMIK-AEFFLSMTSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287893 430863092 /nfs/dbraw/zinc/86/30/92/430863092.db2.gz ONESBTZSCDTMIK-AEFFLSMTSA-N 2 1 319.493 2.762 20 0 DFADMP c1cc2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)ccc2o1 ZINC000665238176 430863477 /nfs/dbraw/zinc/86/34/77/430863477.db2.gz SJCONCWEIXBEAN-BRWVUGGUSA-N 2 1 300.402 2.680 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000665237032 430864626 /nfs/dbraw/zinc/86/46/26/430864626.db2.gz YOXQYBPBUKQDDA-QRVBRYPASA-N 2 1 318.461 2.511 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCCC2)cc1NC(C)=O ZINC000665249033 430867656 /nfs/dbraw/zinc/86/76/56/430867656.db2.gz IDIXFZRWWKAGTH-GFCCVEGCSA-N 2 1 305.422 2.576 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH+]1CCCCCC1 ZINC000648719632 430869306 /nfs/dbraw/zinc/86/93/06/430869306.db2.gz FHQOUSNDYQVDOZ-INIZCTEOSA-N 2 1 320.481 2.779 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC000665251528 430869662 /nfs/dbraw/zinc/86/96/62/430869662.db2.gz RQGFAAHTVYVUQR-WJFTUGDTSA-N 2 1 302.462 2.925 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000648734500 430872265 /nfs/dbraw/zinc/87/22/65/430872265.db2.gz NUNXBJPDKFMXSG-OAGGEKHMSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000648734500 430872272 /nfs/dbraw/zinc/87/22/72/430872272.db2.gz NUNXBJPDKFMXSG-OAGGEKHMSA-N 2 1 320.481 2.633 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@H]3CCC[C@@H]([NH3+])C3)on2)cc1 ZINC000665262032 430874851 /nfs/dbraw/zinc/87/48/51/430874851.db2.gz RQCGBGGJIYJNPM-KGLIPLIRSA-N 2 1 301.390 2.710 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000658328044 430876594 /nfs/dbraw/zinc/87/65/94/430876594.db2.gz SZPRCTJLBBMGLI-RBUKOAKNSA-N 2 1 324.509 2.815 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000648742808 430878853 /nfs/dbraw/zinc/87/88/53/430878853.db2.gz SFZWLAJYJAPUPJ-HZPDHXFCSA-N 2 1 320.481 2.635 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000665273286 430879807 /nfs/dbraw/zinc/87/98/07/430879807.db2.gz SYNSVRUQVCAXNS-HUUCEWRRSA-N 2 1 304.482 2.620 20 0 DFADMP CC(C)[C@H]([NH3+])CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665282251 430883764 /nfs/dbraw/zinc/88/37/64/430883764.db2.gz UHQCNLKBYWZELB-NZSAHSFTSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665282251 430883766 /nfs/dbraw/zinc/88/37/66/430883766.db2.gz UHQCNLKBYWZELB-NZSAHSFTSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665282251 430883772 /nfs/dbraw/zinc/88/37/72/430883772.db2.gz UHQCNLKBYWZELB-NZSAHSFTSA-N 3 1 303.494 2.860 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@@H](C)C1 ZINC000658349919 430883798 /nfs/dbraw/zinc/88/37/98/430883798.db2.gz VPLRAMHVBLLZNM-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283469 430884000 /nfs/dbraw/zinc/88/40/00/430884000.db2.gz OKBHXZDABYEOQX-GWCFXTLKSA-N 2 1 302.340 2.905 20 0 DFADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000665291795 430886418 /nfs/dbraw/zinc/88/64/18/430886418.db2.gz LILJKPMPJNPALM-MRXNPFEDSA-N 2 1 318.808 2.535 20 0 DFADMP CCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665290540 430886923 /nfs/dbraw/zinc/88/69/23/430886923.db2.gz CHKUOOHBMZCTOX-AWEZNQCLSA-N 2 1 320.824 2.925 20 0 DFADMP OC(C[NH+]1CC[C@@H](C2CCC2)C1)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288046 430887347 /nfs/dbraw/zinc/88/73/47/430887347.db2.gz BGMNQRDPDOMEGI-QZTJIDSGSA-N 2 1 306.494 2.591 20 0 DFADMP CC(C)Cc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665291062 430887388 /nfs/dbraw/zinc/88/73/88/430887388.db2.gz SVYFGCDYBMEOSG-CYBMUJFWSA-N 2 1 314.433 2.690 20 0 DFADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cc2ccccc2s1 ZINC000665292671 430888404 /nfs/dbraw/zinc/88/84/04/430888404.db2.gz HCLWKKVFXZYWEQ-SNVBAGLBSA-N 2 1 314.414 2.706 20 0 DFADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000665298663 430888504 /nfs/dbraw/zinc/88/85/04/430888504.db2.gz ZRDWAWGDPJJVEF-GDAAHCPNSA-N 2 1 301.478 2.627 20 0 DFADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000658190033 430838435 /nfs/dbraw/zinc/83/84/35/430838435.db2.gz GNTPSLVLIJUBLJ-MKXGPGLRSA-N 2 1 302.462 2.790 20 0 DFADMP C[NH2+]C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000665298665 430888655 /nfs/dbraw/zinc/88/86/55/430888655.db2.gz ZRDWAWGDPJJVEF-KANFNMMFSA-N 2 1 301.478 2.627 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)on1 ZINC000665298846 430890002 /nfs/dbraw/zinc/89/00/02/430890002.db2.gz AUJPMYHSXDCTHZ-QWHCGFSZSA-N 2 1 301.390 2.710 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cncc(Br)c1 ZINC000651865864 430896450 /nfs/dbraw/zinc/89/64/50/430896450.db2.gz KIYPRWPHROLCFE-UHFFFAOYSA-N 2 1 314.271 2.912 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cncc(Br)c1 ZINC000651865864 430896454 /nfs/dbraw/zinc/89/64/54/430896454.db2.gz KIYPRWPHROLCFE-UHFFFAOYSA-N 2 1 314.271 2.912 20 0 DFADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000648801800 430898420 /nfs/dbraw/zinc/89/84/20/430898420.db2.gz CYUDVZDZFNOVDP-JKSUJKDBSA-N 2 1 320.481 2.587 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000648801800 430898424 /nfs/dbraw/zinc/89/84/24/430898424.db2.gz CYUDVZDZFNOVDP-JKSUJKDBSA-N 2 1 320.481 2.587 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(Cc2ccncc2)CC1 ZINC000651866029 430899524 /nfs/dbraw/zinc/89/95/24/430899524.db2.gz QXLGOAHENOTWKB-UHFFFAOYSA-N 2 1 318.509 2.614 20 0 DFADMP CC(C)C[N@H+](C)CCCNC1CC[NH+](Cc2ccncc2)CC1 ZINC000651866029 430899528 /nfs/dbraw/zinc/89/95/28/430899528.db2.gz QXLGOAHENOTWKB-UHFFFAOYSA-N 2 1 318.509 2.614 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC1CC[NH+](Cc2ccncc2)CC1 ZINC000651866029 430899532 /nfs/dbraw/zinc/89/95/32/430899532.db2.gz QXLGOAHENOTWKB-UHFFFAOYSA-N 2 1 318.509 2.614 20 0 DFADMP COc1cc(C[NH2+]CCC[N@H+](C)CC(C)C)cc2c1OCCO2 ZINC000651866734 430899760 /nfs/dbraw/zinc/89/97/60/430899760.db2.gz PDMSLOKGHYCYQK-UHFFFAOYSA-N 2 1 322.449 2.534 20 0 DFADMP COc1cc(C[NH2+]CCC[N@@H+](C)CC(C)C)cc2c1OCCO2 ZINC000651866734 430899763 /nfs/dbraw/zinc/89/97/63/430899763.db2.gz PDMSLOKGHYCYQK-UHFFFAOYSA-N 2 1 322.449 2.534 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc(Cl)c(OC)c2)CC1 ZINC000648816791 430903446 /nfs/dbraw/zinc/90/34/46/430903446.db2.gz JOONILFGVMVUAH-UHFFFAOYSA-N 2 1 312.841 2.549 20 0 DFADMP CC[N@@H+](CCC[NH2+]C1CCN(C(C)=O)CC1)C1CCCCC1 ZINC000651910298 430912237 /nfs/dbraw/zinc/91/22/37/430912237.db2.gz ODSJMLWHAWAKIH-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[N@@H+]1C ZINC000648891325 430928727 /nfs/dbraw/zinc/92/87/27/430928727.db2.gz ILLFVCMZPRQPEQ-BXUZGUMPSA-N 2 1 309.841 2.680 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc(Cl)c(C[NH+](C)C)c2)CC[N@H+]1C ZINC000648891325 430928732 /nfs/dbraw/zinc/92/87/32/430928732.db2.gz ILLFVCMZPRQPEQ-BXUZGUMPSA-N 2 1 309.841 2.680 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000651967823 430928886 /nfs/dbraw/zinc/92/88/86/430928886.db2.gz VULATFHOBIZQAC-OAHLLOKOSA-N 2 1 300.450 2.776 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000655348567 430971082 /nfs/dbraw/zinc/97/10/82/430971082.db2.gz BZJOXLHHELASOX-KZNAEPCWSA-N 2 1 321.509 2.630 20 0 DFADMP O[C@@H]1CC[N@@H+](C2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000662157821 430983299 /nfs/dbraw/zinc/98/32/99/430983299.db2.gz QQZNIOIVBRDWDX-OAQYLSRUSA-N 2 1 324.468 2.913 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000662157821 430983303 /nfs/dbraw/zinc/98/33/03/430983303.db2.gz QQZNIOIVBRDWDX-OAQYLSRUSA-N 2 1 324.468 2.913 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662157256 430983388 /nfs/dbraw/zinc/98/33/88/430983388.db2.gz OXZHJZFJDFKXDC-SFHVURJKSA-N 2 1 302.462 2.643 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c(C)c1 ZINC000662157256 430983394 /nfs/dbraw/zinc/98/33/94/430983394.db2.gz OXZHJZFJDFKXDC-SFHVURJKSA-N 2 1 302.462 2.643 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000662156013 430984469 /nfs/dbraw/zinc/98/44/69/430984469.db2.gz KCYAKKIFZATSAX-PKOBYXMFSA-N 2 1 300.446 2.595 20 0 DFADMP c1ccc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662249469 431011984 /nfs/dbraw/zinc/01/19/84/431011984.db2.gz UPVLNEGSFDUDIR-FQEVSTJZSA-N 2 1 308.425 2.906 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000645434729 431000975 /nfs/dbraw/zinc/00/09/75/431000975.db2.gz SGKWCEUHNCUYLO-SFHVURJKSA-N 2 1 322.880 2.707 20 0 DFADMP CC(C)[C@](C)(C[NH3+])[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662248204 431012032 /nfs/dbraw/zinc/01/20/32/431012032.db2.gz WBMVRVJCABDHGY-AWEZNQCLSA-N 2 1 300.349 2.514 20 0 DFADMP FC(F)(F)c1ccnc([C@H]2CCC[N@@H+]2CC2CC[NH2+]CC2)n1 ZINC000662218603 431001972 /nfs/dbraw/zinc/00/19/72/431001972.db2.gz YTWSSUYKCNQEFQ-GFCCVEGCSA-N 2 1 314.355 2.632 20 0 DFADMP FC(F)(F)c1ccnc([C@H]2CCC[N@H+]2CC2CC[NH2+]CC2)n1 ZINC000662218603 431001975 /nfs/dbraw/zinc/00/19/75/431001975.db2.gz YTWSSUYKCNQEFQ-GFCCVEGCSA-N 2 1 314.355 2.632 20 0 DFADMP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000648998208 430963171 /nfs/dbraw/zinc/96/31/71/430963171.db2.gz GVXMHIILXPPHDB-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000648998208 430963178 /nfs/dbraw/zinc/96/31/78/430963178.db2.gz GVXMHIILXPPHDB-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000648998208 430963182 /nfs/dbraw/zinc/96/31/82/430963182.db2.gz GVXMHIILXPPHDB-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]([NH2+]CCC[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652133075 430969233 /nfs/dbraw/zinc/96/92/33/430969233.db2.gz GAKOLZHHRUUAAG-AWEZNQCLSA-N 2 1 310.438 2.705 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135321 430969426 /nfs/dbraw/zinc/96/94/26/430969426.db2.gz NITAOWNURKGARG-OAHLLOKOSA-N 2 1 322.449 2.847 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC[N@H+]1C ZINC000652315501 431020228 /nfs/dbraw/zinc/02/02/28/431020228.db2.gz WRQCQKNTIDEZAD-DGCLKSJQSA-N 2 1 312.360 2.623 20 0 DFADMP Cn1ccnc1C[N@@H+](CCCC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000662269549 431024000 /nfs/dbraw/zinc/02/40/00/431024000.db2.gz GLQMPAZHQPELSU-QGZVFWFLSA-N 2 1 316.493 2.945 20 0 DFADMP Cc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652345483 431024617 /nfs/dbraw/zinc/02/46/17/431024617.db2.gz CLIYEDXFFOQLRO-SCTDSRPQSA-N 2 1 318.461 2.592 20 0 DFADMP CO[C@H](C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000662268014 431026090 /nfs/dbraw/zinc/02/60/90/431026090.db2.gz MBSIVWYSEYGDDZ-GDBMZVCRSA-N 2 1 323.506 2.678 20 0 DFADMP CO[C@H](C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1)C1CCC1 ZINC000662268014 431026095 /nfs/dbraw/zinc/02/60/95/431026095.db2.gz MBSIVWYSEYGDDZ-GDBMZVCRSA-N 2 1 323.506 2.678 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350997 431028531 /nfs/dbraw/zinc/02/85/31/431028531.db2.gz CPVBYHQMENTNGW-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350997 431028536 /nfs/dbraw/zinc/02/85/36/431028536.db2.gz CPVBYHQMENTNGW-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000652352749 431029592 /nfs/dbraw/zinc/02/95/92/431029592.db2.gz UBKHXWYLWJHTIF-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1C ZINC000652352749 431029596 /nfs/dbraw/zinc/02/95/96/431029596.db2.gz UBKHXWYLWJHTIF-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662278255 431030618 /nfs/dbraw/zinc/03/06/18/431030618.db2.gz DBBGCMSOVIKQJM-FUHWJXTLSA-N 2 1 300.446 2.961 20 0 DFADMP CCO[C@@H]1C[N@@H+](CCSc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000652356880 431030787 /nfs/dbraw/zinc/03/07/87/431030787.db2.gz MTVJTFSZJHQYGU-IUODEOHRSA-N 2 1 314.882 2.728 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOc2ccccc2F)C1 ZINC000652360378 431032200 /nfs/dbraw/zinc/03/22/00/431032200.db2.gz GHQGYXWWULHCAT-UWWQBHOKSA-N 2 1 322.424 2.565 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652361833 431032618 /nfs/dbraw/zinc/03/26/18/431032618.db2.gz QKFBLLGUMGBGLF-QQXKLLMISA-N 2 1 324.509 2.943 20 0 DFADMP CC(C)(C)c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)no1 ZINC000652363781 431032772 /nfs/dbraw/zinc/03/27/72/431032772.db2.gz NHODCPYPAXIQTO-IMJJTQAJSA-N 2 1 321.465 2.833 20 0 DFADMP CC(C)(C)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)no1 ZINC000652363781 431032777 /nfs/dbraw/zinc/03/27/77/431032777.db2.gz NHODCPYPAXIQTO-IMJJTQAJSA-N 2 1 321.465 2.833 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000662387111 431069477 /nfs/dbraw/zinc/06/94/77/431069477.db2.gz BMSBYCHXMWTHIU-CRAIPNDOSA-N 2 1 317.477 2.675 20 0 DFADMP COc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360975 431032977 /nfs/dbraw/zinc/03/29/77/431032977.db2.gz VMNXNIQTDFXSSP-BHIYHBOVSA-N 2 1 318.461 2.599 20 0 DFADMP COc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652360976 431033596 /nfs/dbraw/zinc/03/35/96/431033596.db2.gz VMNXNIQTDFXSSP-QRQLOZEOSA-N 2 1 318.461 2.599 20 0 DFADMP C[C@H]1CC[N@H+](CCSc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000662284780 431033711 /nfs/dbraw/zinc/03/37/11/431033711.db2.gz ZRXYJTHMDTXEIH-RYUDHWBXSA-N 2 1 300.418 2.974 20 0 DFADMP C[C@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C[C@@H]1C[NH3+] ZINC000662284780 431033715 /nfs/dbraw/zinc/03/37/15/431033715.db2.gz ZRXYJTHMDTXEIH-RYUDHWBXSA-N 2 1 300.418 2.974 20 0 DFADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn21 ZINC000662292700 431034370 /nfs/dbraw/zinc/03/43/70/431034370.db2.gz HTEIRLVSKWDFNG-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP OCC1([NH2+]Cc2ccc(C3CCCCC3)cc2)CC[NH2+]CC1 ZINC000662286511 431035024 /nfs/dbraw/zinc/03/50/24/431035024.db2.gz IZWVKBLMWAELEL-UHFFFAOYSA-N 2 1 302.462 2.938 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CCCC1 ZINC000662284993 431035294 /nfs/dbraw/zinc/03/52/94/431035294.db2.gz TUUCHCLRLFSGIG-BSDSXHPESA-N 2 1 310.482 2.552 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)C1 ZINC000662285042 431035628 /nfs/dbraw/zinc/03/56/28/431035628.db2.gz VENZOXFJGCEQJK-HKBOAZHASA-N 2 1 324.468 2.797 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662296481 431038074 /nfs/dbraw/zinc/03/80/74/431038074.db2.gz KZKUEMLBRPGQNV-QGZVFWFLSA-N 2 1 318.461 2.786 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662309557 431041485 /nfs/dbraw/zinc/04/14/85/431041485.db2.gz AJOMXWHFARMJRD-HDICACEKSA-N 2 1 303.450 2.864 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@]23COC[C@@]2(C1)CCCC3 ZINC000662309557 431041492 /nfs/dbraw/zinc/04/14/92/431041492.db2.gz AJOMXWHFARMJRD-HDICACEKSA-N 2 1 303.450 2.864 20 0 DFADMP Fc1ccccc1C[N@@H+](CC1CC1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662310255 431041828 /nfs/dbraw/zinc/04/18/28/431041828.db2.gz IYJMJPMSCOUUEV-MRXNPFEDSA-N 2 1 304.409 2.559 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NCC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662313439 431043561 /nfs/dbraw/zinc/04/35/61/431043561.db2.gz OFVJMCYEVSNLEL-NVXWUHKLSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313587 431043975 /nfs/dbraw/zinc/04/39/75/431043975.db2.gz IZZSBBIRSBHGKF-ZJPYXAASSA-N 2 1 323.525 2.863 20 0 DFADMP CCO[C@H](C)c1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662313759 431044435 /nfs/dbraw/zinc/04/44/35/431044435.db2.gz LWLWRTWYJJUBOU-MGPQQGTHSA-N 2 1 310.442 2.507 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1cccs1 ZINC000662315854 431044511 /nfs/dbraw/zinc/04/45/11/431044511.db2.gz UFKUETCNSFUISW-QLFBSQMISA-N 2 1 323.506 2.765 20 0 DFADMP CCc1ccc(CC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662322666 431046119 /nfs/dbraw/zinc/04/61/19/431046119.db2.gz WSEMLHLSUFGVCG-IBGZPJMESA-N 2 1 304.478 2.834 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCOC(C)(C)C)CCO1 ZINC000662322824 431047564 /nfs/dbraw/zinc/04/75/64/431047564.db2.gz ITNIMUQEVRTOJN-INIZCTEOSA-N 2 1 300.487 2.624 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@](C)(C(F)F)O1 ZINC000662334992 431050228 /nfs/dbraw/zinc/05/02/28/431050228.db2.gz FWWHINQJKLFIHK-SJCJKPOMSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@](C)(C(F)F)O1 ZINC000662334992 431050233 /nfs/dbraw/zinc/05/02/33/431050233.db2.gz FWWHINQJKLFIHK-SJCJKPOMSA-N 2 1 310.388 2.577 20 0 DFADMP C[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CC1(C)C ZINC000662343487 431053944 /nfs/dbraw/zinc/05/39/44/431053944.db2.gz KALOUUGZYBVMBQ-GOSISDBHSA-N 2 1 302.462 2.997 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@H]1CC1(C)C ZINC000662343487 431053947 /nfs/dbraw/zinc/05/39/47/431053947.db2.gz KALOUUGZYBVMBQ-GOSISDBHSA-N 2 1 302.462 2.997 20 0 DFADMP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000649293577 431057199 /nfs/dbraw/zinc/05/71/99/431057199.db2.gz YXPMOVNSSSTBDQ-DVOMOZLQSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000649293577 431057206 /nfs/dbraw/zinc/05/72/06/431057206.db2.gz YXPMOVNSSSTBDQ-DVOMOZLQSA-N 2 1 323.868 2.719 20 0 DFADMP CC(C)([NH3+])CCC(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000649303149 431061458 /nfs/dbraw/zinc/06/14/58/431061458.db2.gz CWYHLPANQUBZTA-UHFFFAOYSA-N 2 1 309.498 2.619 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649310369 431063263 /nfs/dbraw/zinc/06/32/63/431063263.db2.gz AFFYTMDSSKYXFP-BBRMVZONSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)[NH2+]CC(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000662382967 431067603 /nfs/dbraw/zinc/06/76/03/431067603.db2.gz SLLHPOZURGRNOB-INIZCTEOSA-N 2 1 323.868 2.591 20 0 DFADMP C[N@H+](Cc1cc(Cl)cc(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252173 431015543 /nfs/dbraw/zinc/01/55/43/431015543.db2.gz LOGJARHYMCFYOU-CQSZACIVSA-N 2 1 315.244 2.946 20 0 DFADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc21 ZINC000662252261 431016523 /nfs/dbraw/zinc/01/65/23/431016523.db2.gz NFVSEMOGRPQWBL-FUHWJXTLSA-N 2 1 300.446 2.907 20 0 DFADMP Clc1ccccc1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250277 431017241 /nfs/dbraw/zinc/01/72/41/431017241.db2.gz CZCORYSBBLBCOD-CJNGLKHVSA-N 2 1 306.837 2.998 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258324 431017638 /nfs/dbraw/zinc/01/76/38/431017638.db2.gz VSPYBNCKZHGAOQ-ZWKOTPCHSA-N 2 1 302.462 2.769 20 0 DFADMP Clc1ccc([C@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256610 431018233 /nfs/dbraw/zinc/01/82/33/431018233.db2.gz WZPWUSSWDHGGOR-HOCLYGCPSA-N 2 1 306.837 2.650 20 0 DFADMP Fc1ccc([C@@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257081 431018955 /nfs/dbraw/zinc/01/89/55/431018955.db2.gz MRBNDYYPSLQNNR-IRXDYDNUSA-N 2 1 304.409 2.874 20 0 DFADMP CN1CCC[C@@H]1C[N@H+]1CCCN(Cc2ccc(Cl)cc2)CC1 ZINC000649478058 431114321 /nfs/dbraw/zinc/11/43/21/431114321.db2.gz QYERNTOSSKMTIE-GOSISDBHSA-N 2 1 321.896 2.942 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000649478058 431114329 /nfs/dbraw/zinc/11/43/29/431114329.db2.gz QYERNTOSSKMTIE-GOSISDBHSA-N 2 1 321.896 2.942 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN1CCC[NH+](Cc2ccc(Cl)cc2)CC1 ZINC000649478058 431114337 /nfs/dbraw/zinc/11/43/37/431114337.db2.gz QYERNTOSSKMTIE-GOSISDBHSA-N 2 1 321.896 2.942 20 0 DFADMP C[NH+]1CCC[C@@H]1CN1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000649478058 431114344 /nfs/dbraw/zinc/11/43/44/431114344.db2.gz QYERNTOSSKMTIE-GOSISDBHSA-N 2 1 321.896 2.942 20 0 DFADMP C[NH+]1CCC[C@@H]1CN1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000649478058 431114349 /nfs/dbraw/zinc/11/43/49/431114349.db2.gz QYERNTOSSKMTIE-GOSISDBHSA-N 2 1 321.896 2.942 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H]2CCc3cccc(Cl)c3C2)CCOCC1 ZINC000666090673 431114554 /nfs/dbraw/zinc/11/45/54/431114554.db2.gz CZCBIOBSVSRNIA-HNNXBMFYSA-N 2 1 322.880 2.898 20 0 DFADMP Cn1c[nH+]c2cc(NC3CC[NH+](C[C@@H]4CCCO4)CC3)ccc21 ZINC000655752559 431116083 /nfs/dbraw/zinc/11/60/83/431116083.db2.gz QGSPKXTXWXNUDK-INIZCTEOSA-N 2 1 314.433 2.629 20 0 DFADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C[C@H]1CCCCO1 ZINC000655755119 431117250 /nfs/dbraw/zinc/11/72/50/431117250.db2.gz PLFBJSLGAGLIHL-QZTJIDSGSA-N 2 1 310.482 2.569 20 0 DFADMP Clc1cccc2c1C[C@@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000666117700 431119627 /nfs/dbraw/zinc/11/96/27/431119627.db2.gz LWIZEHLXXZOVGP-KBPBESRZSA-N 2 1 301.821 2.998 20 0 DFADMP c1cc2c(cccc2CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)[nH]1 ZINC000655764221 431126524 /nfs/dbraw/zinc/12/65/24/431126524.db2.gz XLFXCLIFWVRIGJ-KRWDZBQOSA-N 2 1 313.445 2.553 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000645942237 431123132 /nfs/dbraw/zinc/12/31/32/431123132.db2.gz ZWEDXUAKLXWHEJ-CXAGYDPISA-N 2 1 312.417 2.689 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000645942240 431123624 /nfs/dbraw/zinc/12/36/24/431123624.db2.gz ZWEDXUAKLXWHEJ-SUMWQHHRSA-N 2 1 312.417 2.689 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000662402449 431074206 /nfs/dbraw/zinc/07/42/06/431074206.db2.gz KGGOATLUQBTRAV-CVEARBPZSA-N 2 1 311.514 2.624 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2cccc3c2C[NH2+]C3)c1 ZINC000662406435 431074266 /nfs/dbraw/zinc/07/42/66/431074266.db2.gz ZAPFZQRAMQBPCW-UHFFFAOYSA-N 2 1 323.440 2.672 20 0 DFADMP c1ccc(C2(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)CC2)cc1 ZINC000655686894 431082590 /nfs/dbraw/zinc/08/25/90/431082590.db2.gz RUIUNSQDUPYOHO-IBGZPJMESA-N 2 1 314.473 2.951 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655688300 431083134 /nfs/dbraw/zinc/08/31/34/431083134.db2.gz WFPTZSOLBFGNRL-SFHVURJKSA-N 2 1 302.462 2.807 20 0 DFADMP c1ccc(OCCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655698815 431086869 /nfs/dbraw/zinc/08/68/69/431086869.db2.gz WPGQDGHJELJMDF-LJQANCHMSA-N 2 1 318.461 2.689 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655698201 431088046 /nfs/dbraw/zinc/08/80/46/431088046.db2.gz ZNWRTQQOHXEYEG-QRQLOZEOSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1csc(N2CC[N@H+](CCCC3CC[NH2+]CC3)C[C@H]2C)n1 ZINC000649412591 431093101 /nfs/dbraw/zinc/09/31/01/431093101.db2.gz VAIPGFVXPJDJRP-OAHLLOKOSA-N 2 1 322.522 2.742 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1F ZINC000655713432 431093745 /nfs/dbraw/zinc/09/37/45/431093745.db2.gz MJQCLOBUWIYDOT-INIZCTEOSA-N 2 1 320.452 2.946 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Oc1ccccc1 ZINC000655715626 431095477 /nfs/dbraw/zinc/09/54/77/431095477.db2.gz MNIPKLWFRTWFID-QGZVFWFLSA-N 2 1 318.461 2.687 20 0 DFADMP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655717053 431095860 /nfs/dbraw/zinc/09/58/60/431095860.db2.gz TVJSJNUSJWNHCQ-DNVCBOLYSA-N 2 1 318.461 2.556 20 0 DFADMP CCO[C@@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000655718307 431097355 /nfs/dbraw/zinc/09/73/55/431097355.db2.gz ITEYHXOJSMAUCN-MSOLQXFVSA-N 2 1 312.498 2.671 20 0 DFADMP CCN(C(=O)C[NH2+]C(C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662503820 431098626 /nfs/dbraw/zinc/09/86/26/431098626.db2.gz XWWBWKUZLATXOL-SJLPKXTDSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1cc(F)ccc1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655721366 431099887 /nfs/dbraw/zinc/09/98/87/431099887.db2.gz OAACTVPMYNKOAN-GOSISDBHSA-N 2 1 306.425 2.520 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NCCC[N@H+](C)CC(C)C)c1 ZINC000652612451 431100713 /nfs/dbraw/zinc/10/07/13/431100713.db2.gz SATMALMIZIMJHE-UHFFFAOYSA-N 2 1 306.454 2.553 20 0 DFADMP Cc1ccc([C@@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655723983 431101100 /nfs/dbraw/zinc/10/11/00/431101100.db2.gz KGKMYTMHIDZGOR-LPHOPBHVSA-N 2 1 302.462 2.941 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000662592428 431126045 /nfs/dbraw/zinc/12/60/45/431126045.db2.gz JNIGIMDLLGNMGJ-BZUAXINKSA-N 2 1 309.498 2.521 20 0 DFADMP COCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000655723809 431101950 /nfs/dbraw/zinc/10/19/50/431101950.db2.gz SZQJCHUIGFRGFG-GOSISDBHSA-N 2 1 324.509 2.816 20 0 DFADMP c1c2ccccc2oc1CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655730806 431104211 /nfs/dbraw/zinc/10/42/11/431104211.db2.gz UCXHCHINVPEBOT-KRWDZBQOSA-N 2 1 314.429 2.818 20 0 DFADMP CC(C)c1nnc(CN(C)C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000649460685 431108514 /nfs/dbraw/zinc/10/85/14/431108514.db2.gz OTEJVDSDBAFEIZ-LBPRGKRZSA-N 2 1 305.451 2.552 20 0 DFADMP COC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC(C)CC1 ZINC000655764651 431126986 /nfs/dbraw/zinc/12/69/86/431126986.db2.gz NRTZTUAXTGSYFG-CUYAVPTFSA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)N1CCCC[C@@H]1C[N@@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000649501357 431127480 /nfs/dbraw/zinc/12/74/80/431127480.db2.gz HHBQOTZUBCEEFS-IAGOWNOFSA-N 2 1 304.482 2.640 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)C[C@@H]1CCn2ccnc2C1 ZINC000649501357 431127484 /nfs/dbraw/zinc/12/74/84/431127484.db2.gz HHBQOTZUBCEEFS-IAGOWNOFSA-N 2 1 304.482 2.640 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)C[C@@H]1CCn2ccnc2C1 ZINC000649501357 431127489 /nfs/dbraw/zinc/12/74/89/431127489.db2.gz HHBQOTZUBCEEFS-IAGOWNOFSA-N 2 1 304.482 2.640 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000360942390 288107733 /nfs/dbraw/zinc/10/77/33/288107733.db2.gz OWCQHUHOUHXSNJ-LVQVYYBASA-N 2 1 318.509 2.814 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)CC(F)(F)F ZINC000655776509 431131505 /nfs/dbraw/zinc/13/15/05/431131505.db2.gz MENYLDZQCYZPCI-GXTWGEPZSA-N 2 1 308.388 2.808 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000359282676 279227285 /nfs/dbraw/zinc/22/72/85/279227285.db2.gz SVMWEHKUXGBFBS-CVEARBPZSA-N 2 1 319.493 2.599 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2C(C)=CCC[C@H]2C)CC1 ZINC000133992425 279356426 /nfs/dbraw/zinc/35/64/26/279356426.db2.gz RQOJAEWRLQIWLE-RTBURBONSA-N 2 1 307.526 2.986 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CC2([NH3+])CC2)c1 ZINC000662684866 431162080 /nfs/dbraw/zinc/16/20/80/431162080.db2.gz KNIBTRZEOGKSMO-UHFFFAOYSA-N 2 1 312.417 2.875 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646074431 431171762 /nfs/dbraw/zinc/17/17/62/431171762.db2.gz XPPJHCFRNBFGBD-RBUKOAKNSA-N 2 1 313.445 2.650 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](O)[C@@H]1CCc1ccccc1 ZINC000646074431 431171768 /nfs/dbraw/zinc/17/17/68/431171768.db2.gz XPPJHCFRNBFGBD-RBUKOAKNSA-N 2 1 313.445 2.650 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646074430 431172161 /nfs/dbraw/zinc/17/21/61/431172161.db2.gz XPPJHCFRNBFGBD-OALUTQOASA-N 2 1 313.445 2.650 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](O)[C@@H]1CCc1ccccc1 ZINC000646074430 431172167 /nfs/dbraw/zinc/17/21/67/431172167.db2.gz XPPJHCFRNBFGBD-OALUTQOASA-N 2 1 313.445 2.650 20 0 DFADMP C[N@@H+]1CCN(C(=O)C[C@H]2[NH2+]Cc3ccccc32)c2ccccc2C1 ZINC000662720261 431172412 /nfs/dbraw/zinc/17/24/12/431172412.db2.gz XPYPVNXREDOZND-GOSISDBHSA-N 2 1 321.424 2.700 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)nc(C)[nH+]1 ZINC000659887863 431173695 /nfs/dbraw/zinc/17/36/95/431173695.db2.gz BOZDESHDESLABB-YVSFHVDLSA-N 2 1 300.450 2.698 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000646084533 431178736 /nfs/dbraw/zinc/17/87/36/431178736.db2.gz NOBRVGCKKIXPDY-QGZVFWFLSA-N 2 1 305.466 2.915 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CCC1 ZINC000659907060 431182631 /nfs/dbraw/zinc/18/26/31/431182631.db2.gz VYPFTOQXPVNMRG-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CCC1 ZINC000659907060 431182637 /nfs/dbraw/zinc/18/26/37/431182637.db2.gz VYPFTOQXPVNMRG-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP CCCOc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106739 431186304 /nfs/dbraw/zinc/18/63/04/431186304.db2.gz PHIUDXDEJCWPKR-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP CCCOc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646106739 431186307 /nfs/dbraw/zinc/18/63/07/431186307.db2.gz PHIUDXDEJCWPKR-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+]([C@@H]1CCCc3ccc(F)cc31)CCO2 ZINC000646105713 431187935 /nfs/dbraw/zinc/18/79/35/431187935.db2.gz DKZZSKHFXBFRHF-GOSISDBHSA-N 2 1 318.436 3.000 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@H]3CCC[NH+]3C)C2)s1 ZINC000649603431 431190631 /nfs/dbraw/zinc/19/06/31/431190631.db2.gz MFQPPZYMSSJMJZ-IAGOWNOFSA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C[C@H]3CCC[N@@H+]3C)C2)s1 ZINC000649603431 431190638 /nfs/dbraw/zinc/19/06/38/431190638.db2.gz MFQPPZYMSSJMJZ-IAGOWNOFSA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C[C@H]3CCC[N@H+]3C)C2)s1 ZINC000649603431 431190645 /nfs/dbraw/zinc/19/06/45/431190645.db2.gz MFQPPZYMSSJMJZ-IAGOWNOFSA-N 2 1 321.534 2.904 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@@H]1CCOC1 ZINC000659928710 431191455 /nfs/dbraw/zinc/19/14/55/431191455.db2.gz LQMJBNKHUGAXMK-INDMIFKZSA-N 2 1 324.509 2.624 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@@H]1CCOC1 ZINC000659928710 431191460 /nfs/dbraw/zinc/19/14/60/431191460.db2.gz LQMJBNKHUGAXMK-INDMIFKZSA-N 2 1 324.509 2.624 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H]1CCOC1 ZINC000659928710 431191466 /nfs/dbraw/zinc/19/14/66/431191466.db2.gz LQMJBNKHUGAXMK-INDMIFKZSA-N 2 1 324.509 2.624 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000662787517 431195563 /nfs/dbraw/zinc/19/55/63/431195563.db2.gz BQKBGNSWRNYOPV-INIZCTEOSA-N 2 1 311.514 2.720 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000659939894 431200815 /nfs/dbraw/zinc/20/08/15/431200815.db2.gz KOWVXGRLDHXGQX-ZVZYQTTQSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000659939894 431200817 /nfs/dbraw/zinc/20/08/17/431200817.db2.gz KOWVXGRLDHXGQX-ZVZYQTTQSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000659939894 431200824 /nfs/dbraw/zinc/20/08/24/431200824.db2.gz KOWVXGRLDHXGQX-ZVZYQTTQSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccc(F)cc2)C[C@@H]1C ZINC000659939894 431200829 /nfs/dbraw/zinc/20/08/29/431200829.db2.gz KOWVXGRLDHXGQX-ZVZYQTTQSA-N 2 1 308.441 2.705 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1 ZINC000662652738 431151415 /nfs/dbraw/zinc/15/14/15/431151415.db2.gz OSERBCHUHNQEDO-UHFFFAOYSA-N 2 1 317.477 2.920 20 0 DFADMP Cc1occc1C[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000666211976 431154212 /nfs/dbraw/zinc/15/42/12/431154212.db2.gz BHMPHCRLFKHOBV-INIZCTEOSA-N 2 1 319.474 2.728 20 0 DFADMP C[C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662669457 431158170 /nfs/dbraw/zinc/15/81/70/431158170.db2.gz ZNFKQPAGONGTHO-DOTOQJQBSA-N 2 1 321.509 2.535 20 0 DFADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000655807569 431158296 /nfs/dbraw/zinc/15/82/96/431158296.db2.gz PTKIUUYJEDEBRC-IZAXUBKRSA-N 3 1 301.478 2.581 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655907894 431214034 /nfs/dbraw/zinc/21/40/34/431214034.db2.gz PIEQXQZOWFSIAT-SJORKVTESA-N 2 1 316.449 2.544 20 0 DFADMP C[NH+](CCO[C@@H]1CC1(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659972157 431217837 /nfs/dbraw/zinc/21/78/37/431217837.db2.gz RRXRBRLSINNIDM-DLBZAZTESA-N 2 1 324.415 2.865 20 0 DFADMP C[NH+](CCO[C@@H]1CC1(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659972157 431217844 /nfs/dbraw/zinc/21/78/44/431217844.db2.gz RRXRBRLSINNIDM-DLBZAZTESA-N 2 1 324.415 2.865 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000659980828 431220788 /nfs/dbraw/zinc/22/07/88/431220788.db2.gz ZQYAZEDRTCLRCY-QRQLOZEOSA-N 2 1 304.478 2.641 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000659980828 431220793 /nfs/dbraw/zinc/22/07/93/431220793.db2.gz ZQYAZEDRTCLRCY-QRQLOZEOSA-N 2 1 304.478 2.641 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](Cc2ccccc2)[C@H]1C ZINC000659980828 431220802 /nfs/dbraw/zinc/22/08/02/431220802.db2.gz ZQYAZEDRTCLRCY-QRQLOZEOSA-N 2 1 304.478 2.641 20 0 DFADMP Cc1sccc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000646196918 431222778 /nfs/dbraw/zinc/22/27/78/431222778.db2.gz CXMYQEPLTXFFIS-KRWDZBQOSA-N 2 1 307.507 2.657 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000646193911 431223900 /nfs/dbraw/zinc/22/39/00/431223900.db2.gz GWDDJNNQMXROLL-BMGDILEWSA-N 2 1 315.461 2.795 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193830 431224686 /nfs/dbraw/zinc/22/46/86/431224686.db2.gz BAWBGPHSAAZCLB-SJORKVTESA-N 2 1 321.509 2.761 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(Cl)c1 ZINC000655940591 431227229 /nfs/dbraw/zinc/22/72/29/431227229.db2.gz CZZMCXBNPIGORL-OAHLLOKOSA-N 2 1 308.853 2.836 20 0 DFADMP C[N@@H+](C[C@@H]1CC[C@@H]2C[C@@H]2C1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000660140651 431287371 /nfs/dbraw/zinc/28/73/71/431287371.db2.gz MTJYXBDHXJSTMN-VXNCWWDNSA-N 2 1 305.510 2.523 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000646401129 431294954 /nfs/dbraw/zinc/29/49/54/431294954.db2.gz IDDOICVVQZFNMM-CYBMUJFWSA-N 2 1 310.467 2.585 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H](C[NH3+])C(F)(F)F ZINC000656196412 431303286 /nfs/dbraw/zinc/30/32/86/431303286.db2.gz RYDUBYMJUKHXFH-AWEZNQCLSA-N 2 1 317.399 2.624 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C)C1CCCCC1 ZINC000653200516 431305443 /nfs/dbraw/zinc/30/54/43/431305443.db2.gz HAKFIMLOIHJTDC-MSOLQXFVSA-N 2 1 323.525 2.781 20 0 DFADMP COc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)sn1 ZINC000660114283 431275675 /nfs/dbraw/zinc/27/56/75/431275675.db2.gz GMJZULKXTOWTOF-DOMZBBRYSA-N 2 1 307.463 2.600 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3ccccc3F)C[C@@H]2C)CC[NH2+]1 ZINC000666699159 431329784 /nfs/dbraw/zinc/32/97/84/431329784.db2.gz XJFYLDRQGAYARJ-PMPSAXMXSA-N 2 1 305.441 2.724 20 0 DFADMP Cc1cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000660256672 431346375 /nfs/dbraw/zinc/34/63/75/431346375.db2.gz MVOUNKFZABBYFC-GOEBONIOSA-N 2 1 302.466 2.836 20 0 DFADMP [NH3+]Cc1cccc(NC(=O)[C@H]2CCC[N@@H+](Cc3ccccc3)C2)c1 ZINC000646578857 431346565 /nfs/dbraw/zinc/34/65/65/431346565.db2.gz HJEFSUBXCWAYLL-SFHVURJKSA-N 2 1 323.440 2.996 20 0 DFADMP CC(C)(O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663306972 431356258 /nfs/dbraw/zinc/35/62/58/431356258.db2.gz QAOIOAKMZWUCFQ-QGZVFWFLSA-N 2 1 302.462 2.649 20 0 DFADMP CC(C)c1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000663316000 431361731 /nfs/dbraw/zinc/36/17/31/431361731.db2.gz RDPWEENAZBYXAD-UHFFFAOYSA-N 2 1 303.494 2.927 20 0 DFADMP c1ccc2c(c1)OCC[C@@H]2C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000666805528 431365374 /nfs/dbraw/zinc/36/53/74/431365374.db2.gz VCYVJOTZPNMTED-QGZVFWFLSA-N 2 1 311.429 2.717 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccc(F)cc1)CC(C)C ZINC000653522104 431417612 /nfs/dbraw/zinc/41/76/12/431417612.db2.gz UWBFNHCMJCXKSN-GOSISDBHSA-N 2 1 310.457 2.639 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccc(F)cc1)CC(C)C ZINC000653522104 431417616 /nfs/dbraw/zinc/41/76/16/431417616.db2.gz UWBFNHCMJCXKSN-GOSISDBHSA-N 2 1 310.457 2.639 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccc(F)cc1)CC(C)C ZINC000653522104 431417619 /nfs/dbraw/zinc/41/76/19/431417619.db2.gz UWBFNHCMJCXKSN-GOSISDBHSA-N 2 1 310.457 2.639 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)CC(C)C ZINC000653522104 431417623 /nfs/dbraw/zinc/41/76/23/431417623.db2.gz UWBFNHCMJCXKSN-GOSISDBHSA-N 2 1 310.457 2.639 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CC(C)(C)OC2(C)C)C[C@H](C)O1 ZINC000246969172 288161303 /nfs/dbraw/zinc/16/13/03/288161303.db2.gz JIIXRNJXOTYWIX-XHSDSOJGSA-N 2 1 312.498 2.812 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663359909 431384996 /nfs/dbraw/zinc/38/49/96/431384996.db2.gz KUMZJHYEXHXWKV-KRWDZBQOSA-N 2 1 317.477 2.750 20 0 DFADMP C[C@@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@H]1CCC[NH2+]C1 ZINC000653471991 431390862 /nfs/dbraw/zinc/39/08/62/431390862.db2.gz CNFOCNKTMGCRGN-CABCVRRESA-N 2 1 317.481 2.903 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@@H]3CCC[C@H]([NH3+])C3)n2)C1 ZINC000653472469 431392204 /nfs/dbraw/zinc/39/22/04/431392204.db2.gz QXXNKSNHDQVVNY-UONOGXRCSA-N 2 1 303.454 2.785 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@H]3CC[C@@H](C[NH3+])C3)n2)C1 ZINC000653472287 431392253 /nfs/dbraw/zinc/39/22/53/431392253.db2.gz LGBNTVNHVYFMBR-KGLIPLIRSA-N 2 1 303.454 2.642 20 0 DFADMP COc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)cc1OC ZINC000653487857 431398886 /nfs/dbraw/zinc/39/88/86/431398886.db2.gz RDMBBXYTDVGVJG-UHFFFAOYSA-N 2 1 303.406 2.502 20 0 DFADMP COc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc1OC ZINC000653487857 431398890 /nfs/dbraw/zinc/39/88/90/431398890.db2.gz RDMBBXYTDVGVJG-UHFFFAOYSA-N 2 1 303.406 2.502 20 0 DFADMP C[N@@H+](C[C@H]1CCn2ccnc2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656504269 431412159 /nfs/dbraw/zinc/41/21/59/431412159.db2.gz RRYQCVKNIYEAMU-RBUKOAKNSA-N 2 1 324.472 2.652 20 0 DFADMP c1ccc(-c2ncc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cn2)cc1 ZINC000666998117 431440048 /nfs/dbraw/zinc/44/00/48/431440048.db2.gz BURGPICOAFSBCC-QGZVFWFLSA-N 2 1 308.429 2.908 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC([C@@H]4CCC[NH2+]C4)CC3)c2c1C ZINC000656608063 431448541 /nfs/dbraw/zinc/44/85/41/431448541.db2.gz HGIGIPDOPXMKRL-OAHLLOKOSA-N 2 1 313.449 2.791 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC([C@H]4CCC[NH2+]C4)CC3)c2c1C ZINC000656608062 431449259 /nfs/dbraw/zinc/44/92/59/431449259.db2.gz HGIGIPDOPXMKRL-HNNXBMFYSA-N 2 1 313.449 2.791 20 0 DFADMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000653594330 431450387 /nfs/dbraw/zinc/45/03/87/431450387.db2.gz MRARASAGNZFSGK-WMZOPIPTSA-N 2 1 307.526 2.771 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000653591270 431451008 /nfs/dbraw/zinc/45/10/08/431451008.db2.gz ZKURSKZYHQEACZ-HNNXBMFYSA-N 2 1 312.417 2.547 20 0 DFADMP Cc1ccccc1-c1noc(C[N@@H+]2CC[C@H](c3nccn3C)C2)n1 ZINC000653592070 431451091 /nfs/dbraw/zinc/45/10/91/431451091.db2.gz IETLOSQEOGNPSA-AWEZNQCLSA-N 2 1 323.400 2.768 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000653606467 431457354 /nfs/dbraw/zinc/45/73/54/431457354.db2.gz LUMQRGYZHKCVOC-CQSZACIVSA-N 2 1 312.404 2.636 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@H]2C)o1 ZINC000650150336 431458690 /nfs/dbraw/zinc/45/86/90/431458690.db2.gz SYMZSZWNUGAIJZ-RBSFLKMASA-N 2 1 321.465 2.675 20 0 DFADMP C[N@H+]1CC[C@@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660509126 431465469 /nfs/dbraw/zinc/46/54/69/431465469.db2.gz WWVONDOXOGZWTF-LMCOJAPRSA-N 2 1 314.473 2.975 20 0 DFADMP C[N@H+]1CC[C@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@@H]2C1 ZINC000660509128 431467348 /nfs/dbraw/zinc/46/73/48/431467348.db2.gz WWVONDOXOGZWTF-VBSBHUPXSA-N 2 1 314.473 2.975 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000656695003 431481099 /nfs/dbraw/zinc/48/10/99/431481099.db2.gz YWLHBFZWPIZOFC-DNVCBOLYSA-N 2 1 304.478 2.917 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1ccc2c(c1)CCCC2 ZINC000656695003 431481105 /nfs/dbraw/zinc/48/11/05/431481105.db2.gz YWLHBFZWPIZOFC-DNVCBOLYSA-N 2 1 304.478 2.917 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CCC1 ZINC000660435782 431428176 /nfs/dbraw/zinc/42/81/76/431428176.db2.gz QNJOJIJXLOMQED-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435782 431428181 /nfs/dbraw/zinc/42/81/81/431428181.db2.gz QNJOJIJXLOMQED-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435782 431428189 /nfs/dbraw/zinc/42/81/89/431428189.db2.gz QNJOJIJXLOMQED-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435782 431428195 /nfs/dbraw/zinc/42/81/95/431428195.db2.gz QNJOJIJXLOMQED-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435782 431428202 /nfs/dbraw/zinc/42/82/02/431428202.db2.gz QNJOJIJXLOMQED-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000663607220 431480073 /nfs/dbraw/zinc/48/00/73/431480073.db2.gz FXAIZLCKCJSKQU-DLBZAZTESA-N 2 1 317.477 2.973 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000663607220 431480077 /nfs/dbraw/zinc/48/00/77/431480077.db2.gz FXAIZLCKCJSKQU-DLBZAZTESA-N 2 1 317.477 2.973 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000663465095 431431052 /nfs/dbraw/zinc/43/10/52/431431052.db2.gz HZJVSDAUUFCLDB-HOCLYGCPSA-N 2 1 303.450 2.863 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000663465095 431431059 /nfs/dbraw/zinc/43/10/59/431431059.db2.gz HZJVSDAUUFCLDB-HOCLYGCPSA-N 2 1 303.450 2.863 20 0 DFADMP CC(C)(C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000666978573 431431870 /nfs/dbraw/zinc/43/18/70/431431870.db2.gz SIZZHBZSLBHJLW-UHFFFAOYSA-N 2 1 315.505 2.770 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)ccn1 ZINC000663465097 431432950 /nfs/dbraw/zinc/43/29/50/431432950.db2.gz HZJVSDAUUFCLDB-ZBFHGGJFSA-N 2 1 303.450 2.863 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)ccn1 ZINC000663465097 431432957 /nfs/dbraw/zinc/43/29/57/431432957.db2.gz HZJVSDAUUFCLDB-ZBFHGGJFSA-N 2 1 303.450 2.863 20 0 DFADMP CC(C)(C)[NH+]1CCC(NC[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663470569 431436393 /nfs/dbraw/zinc/43/63/93/431436393.db2.gz VEVNKESTHQXJQE-QGZVFWFLSA-N 2 1 307.526 2.961 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC000663470569 431436399 /nfs/dbraw/zinc/43/63/99/431436399.db2.gz VEVNKESTHQXJQE-QGZVFWFLSA-N 3 1 307.526 2.961 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000663470569 431436404 /nfs/dbraw/zinc/43/64/04/431436404.db2.gz VEVNKESTHQXJQE-QGZVFWFLSA-N 3 1 307.526 2.961 20 0 DFADMP COCc1cnc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000656783683 431519247 /nfs/dbraw/zinc/51/92/47/431519247.db2.gz UGGGSUHSFQLOJU-CQSZACIVSA-N 2 1 309.479 2.501 20 0 DFADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656783875 431520991 /nfs/dbraw/zinc/52/09/91/431520991.db2.gz VRTRJIXHHWVAIE-AWEZNQCLSA-N 2 1 305.491 2.843 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786444 431522385 /nfs/dbraw/zinc/52/23/85/431522385.db2.gz SQCODFOYNLFPPR-SFHVURJKSA-N 2 1 315.461 2.857 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCSC2)cc1F ZINC000656790366 431526511 /nfs/dbraw/zinc/52/65/11/431526511.db2.gz XQYUWHWXSUWMKC-NOLJZWGESA-N 2 1 324.465 2.623 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000653675910 431485176 /nfs/dbraw/zinc/48/51/76/431485176.db2.gz YCSPREUKIPUBNQ-KGLIPLIRSA-N 2 1 304.409 2.942 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000653675910 431485181 /nfs/dbraw/zinc/48/51/81/431485181.db2.gz YCSPREUKIPUBNQ-KGLIPLIRSA-N 2 1 304.409 2.942 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000647171251 431492042 /nfs/dbraw/zinc/49/20/42/431492042.db2.gz DDWAPBPACBIJGT-IRXDYDNUSA-N 2 1 306.498 2.997 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000647172164 431492660 /nfs/dbraw/zinc/49/26/60/431492660.db2.gz KWHYMYUUGCTITF-ZWKOTPCHSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000647172164 431492663 /nfs/dbraw/zinc/49/26/63/431492663.db2.gz KWHYMYUUGCTITF-ZWKOTPCHSA-N 2 1 310.445 2.897 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647177182 431495472 /nfs/dbraw/zinc/49/54/72/431495472.db2.gz OUXJTHFFYNVXFQ-HNNXBMFYSA-N 2 1 316.449 2.810 20 0 DFADMP FC1(F)CCC([NH2+]CC2([NH+]3CCCC3)CCOCC2)CC1 ZINC000647180556 431498165 /nfs/dbraw/zinc/49/81/65/431498165.db2.gz HVVXNFWZHHNKMY-UHFFFAOYSA-N 2 1 302.409 2.799 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CO[C@@H](C)C3)CC2)cs1 ZINC000647182014 431498332 /nfs/dbraw/zinc/49/83/32/431498332.db2.gz BTCLWCRIQUZPHP-DZGCQCFKSA-N 2 1 323.506 2.685 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000647186455 431501670 /nfs/dbraw/zinc/50/16/70/431501670.db2.gz MWJQAYGBRINSQV-SWLSCSKDSA-N 2 1 302.422 2.561 20 0 DFADMP O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647188211 431503209 /nfs/dbraw/zinc/50/32/09/431503209.db2.gz WGKIDJVVOPGDAT-GUDVDZBRSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647188211 431503217 /nfs/dbraw/zinc/50/32/17/431503217.db2.gz WGKIDJVVOPGDAT-GUDVDZBRSA-N 2 1 314.473 2.934 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647200750 431506698 /nfs/dbraw/zinc/50/66/98/431506698.db2.gz DOVWNFPSMZMWKG-SFHVURJKSA-N 2 1 314.473 2.936 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647200750 431506705 /nfs/dbraw/zinc/50/67/05/431506705.db2.gz DOVWNFPSMZMWKG-SFHVURJKSA-N 2 1 314.473 2.936 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](Nc2nc(C)nc(C)c2Br)C1 ZINC000663707013 431508020 /nfs/dbraw/zinc/50/80/20/431508020.db2.gz IDQJMJKZEFWPGH-KCJUWKMLSA-N 2 1 313.243 2.608 20 0 DFADMP CCN1C[C@@H](C)[C@@H](Nc2nc(C)nc(C)c2Br)C1 ZINC000663707013 431508025 /nfs/dbraw/zinc/50/80/25/431508025.db2.gz IDQJMJKZEFWPGH-KCJUWKMLSA-N 2 1 313.243 2.608 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659795 431535484 /nfs/dbraw/zinc/53/54/84/431535484.db2.gz RBNBTWNWVHKNFM-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659795 431535492 /nfs/dbraw/zinc/53/54/92/431535492.db2.gz RBNBTWNWVHKNFM-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660659795 431535495 /nfs/dbraw/zinc/53/54/95/431535495.db2.gz RBNBTWNWVHKNFM-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660659795 431535503 /nfs/dbraw/zinc/53/55/03/431535503.db2.gz RBNBTWNWVHKNFM-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP COc1ccc([C@@H](CC(C)C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000647284227 431536232 /nfs/dbraw/zinc/53/62/32/431536232.db2.gz IJUGJBMPIMQOKL-IEBWSBKVSA-N 2 1 320.477 2.829 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659368 431536225 /nfs/dbraw/zinc/53/62/25/431536225.db2.gz OPUOUDZODVCRKN-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660659368 431536231 /nfs/dbraw/zinc/53/62/31/431536231.db2.gz OPUOUDZODVCRKN-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660659368 431536237 /nfs/dbraw/zinc/53/62/37/431536237.db2.gz OPUOUDZODVCRKN-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660659368 431536246 /nfs/dbraw/zinc/53/62/46/431536246.db2.gz OPUOUDZODVCRKN-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CC(C)C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccncc1 ZINC000647284531 431537464 /nfs/dbraw/zinc/53/74/64/431537464.db2.gz UAXPFJPDEOJERH-SFHVURJKSA-N 2 1 305.466 2.605 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647287671 431540202 /nfs/dbraw/zinc/54/02/02/431540202.db2.gz PIUVTPLIVQJGDW-KBPBESRZSA-N 2 1 301.438 2.711 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000647288455 431540494 /nfs/dbraw/zinc/54/04/94/431540494.db2.gz DYWGLIDTXBVWNP-RTBURBONSA-N 2 1 319.493 2.995 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCCN([C@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC000660664168 431540634 /nfs/dbraw/zinc/54/06/34/431540634.db2.gz QIGDAGXZVINDMJ-PMACEKPBSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCCN([C@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000660664168 431540639 /nfs/dbraw/zinc/54/06/39/431540639.db2.gz QIGDAGXZVINDMJ-PMACEKPBSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCCN([C@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000660664168 431540645 /nfs/dbraw/zinc/54/06/45/431540645.db2.gz QIGDAGXZVINDMJ-PMACEKPBSA-N 2 1 313.489 2.679 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000647314070 431546935 /nfs/dbraw/zinc/54/69/35/431546935.db2.gz MIPRQUQGLSCNGW-APIJFGDWSA-N 2 1 306.475 2.858 20 0 DFADMP O[C@@H](Cc1ccccc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678702 431547812 /nfs/dbraw/zinc/54/78/12/431547812.db2.gz ZCASQHLQYSPXBJ-NRFANRHFSA-N 2 1 324.468 2.844 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849633 431553811 /nfs/dbraw/zinc/55/38/11/431553811.db2.gz QSIKWFOSVMKCQK-UHFFFAOYSA-N 2 1 323.343 2.806 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000653849633 431553815 /nfs/dbraw/zinc/55/38/15/431553815.db2.gz QSIKWFOSVMKCQK-UHFFFAOYSA-N 2 1 323.343 2.806 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCC[C@H]2C)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374966715 288200813 /nfs/dbraw/zinc/20/08/13/288200813.db2.gz XLGXKYGJXFGLFU-NCXUSEDFSA-N 2 1 307.526 2.771 20 0 DFADMP CC[C@@H]1CC[C@@H](C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355060025 280324750 /nfs/dbraw/zinc/32/47/50/280324750.db2.gz UMWZWVUTPWMRIL-KBAYOESNSA-N 2 1 317.477 2.668 20 0 DFADMP COc1cccc([C@H]2C[C@H]([N@H+](C)C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660755386 431580964 /nfs/dbraw/zinc/58/09/64/431580964.db2.gz OWXSMEDQLNHESQ-BZSNNMDCSA-N 2 1 320.477 2.574 20 0 DFADMP COc1cccc([C@H]2C[C@H]([N@@H+](C)C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660755386 431580968 /nfs/dbraw/zinc/58/09/68/431580968.db2.gz OWXSMEDQLNHESQ-BZSNNMDCSA-N 2 1 320.477 2.574 20 0 DFADMP COc1cccc([C@H]2C[C@H]([NH+](C)C[C@@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660755386 431580974 /nfs/dbraw/zinc/58/09/74/431580974.db2.gz OWXSMEDQLNHESQ-BZSNNMDCSA-N 2 1 320.477 2.574 20 0 DFADMP COc1cccc([C@H]2C[C@H]([NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660755386 431580980 /nfs/dbraw/zinc/58/09/80/431580980.db2.gz OWXSMEDQLNHESQ-BZSNNMDCSA-N 2 1 320.477 2.574 20 0 DFADMP CC(C)(C)C(=O)N1CCC[C@@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000660762466 431584336 /nfs/dbraw/zinc/58/43/36/431584336.db2.gz LSBYHSROVFMSRM-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000653937878 431592175 /nfs/dbraw/zinc/59/21/75/431592175.db2.gz JNYBVHHIISSLSJ-IAGOWNOFSA-N 2 1 301.434 2.658 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCCC[N@H+]3C)ccc21 ZINC000653937878 431592178 /nfs/dbraw/zinc/59/21/78/431592178.db2.gz JNYBVHHIISSLSJ-IAGOWNOFSA-N 2 1 301.434 2.658 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)C1 ZINC000650706629 431654363 /nfs/dbraw/zinc/65/43/63/431654363.db2.gz OSCJVWXTBRYCTR-SRCQZFHVSA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC000650706573 431654701 /nfs/dbraw/zinc/65/47/01/431654701.db2.gz NPGSOTCCIONIQN-MEDPVDCCSA-N 2 1 300.446 2.918 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)C1 ZINC000650708921 431656004 /nfs/dbraw/zinc/65/60/04/431656004.db2.gz VNBRNDVDSILXMW-NLWGTHIKSA-N 2 1 314.473 2.894 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])s1 ZINC000650711358 431656714 /nfs/dbraw/zinc/65/67/14/431656714.db2.gz QVEJMNDVOHXAAK-UKRRQHHQSA-N 2 1 310.511 2.939 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](C)[C@@H]3CC[NH3+])cnc21 ZINC000650710979 431657166 /nfs/dbraw/zinc/65/71/66/431657166.db2.gz DWOPDHQEHVIEHM-YOEHRIQHSA-N 2 1 315.465 2.962 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650708378 431657634 /nfs/dbraw/zinc/65/76/34/431657634.db2.gz YVLJAXUVBKGGDA-WBAXXEDZSA-N 2 1 306.425 2.852 20 0 DFADMP CC(C)c1cnc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)s1 ZINC000650708432 431658223 /nfs/dbraw/zinc/65/82/23/431658223.db2.gz ZLJPRUSDMOOZSK-KKUMJFAQSA-N 2 1 323.506 2.985 20 0 DFADMP C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647496557 431605257 /nfs/dbraw/zinc/60/52/57/431605257.db2.gz UTASYJQGLPJNTL-GUYCJALGSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@@H]1[NH3+] ZINC000647496557 431605263 /nfs/dbraw/zinc/60/52/63/431605263.db2.gz UTASYJQGLPJNTL-GUYCJALGSA-N 2 1 318.852 2.754 20 0 DFADMP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000647498260 431606535 /nfs/dbraw/zinc/60/65/35/431606535.db2.gz DFMPTUNQBPKSOC-LRDDRELGSA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000647498260 431606543 /nfs/dbraw/zinc/60/65/43/431606543.db2.gz DFMPTUNQBPKSOC-LRDDRELGSA-N 2 1 302.397 2.775 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1 ZINC000647506217 431608347 /nfs/dbraw/zinc/60/83/47/431608347.db2.gz SMTMQUMCQPKFCK-QGZVFWFLSA-N 2 1 316.449 2.891 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000647498636 431609798 /nfs/dbraw/zinc/60/97/98/431609798.db2.gz LOJYNMCTFHPPRJ-PBHICJAKSA-N 2 1 305.441 2.985 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c(F)cccc2N2CCCC2)CC[C@@H]1[NH3+] ZINC000647498636 431609805 /nfs/dbraw/zinc/60/98/05/431609805.db2.gz LOJYNMCTFHPPRJ-PBHICJAKSA-N 2 1 305.441 2.985 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647509904 431611859 /nfs/dbraw/zinc/61/18/59/431611859.db2.gz QXQCVXDAMGBOSB-ZFWWWQNUSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647509904 431611864 /nfs/dbraw/zinc/61/18/64/431611864.db2.gz QXQCVXDAMGBOSB-ZFWWWQNUSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000647515627 431613825 /nfs/dbraw/zinc/61/38/25/431613825.db2.gz SKYZVTADYJOJQM-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccc(OCc3ccccn3)cc2)CC1 ZINC000647531055 431617615 /nfs/dbraw/zinc/61/76/15/431617615.db2.gz ZKYYUVLRHQREAR-UHFFFAOYSA-N 2 1 311.429 2.974 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000657182730 431620058 /nfs/dbraw/zinc/62/00/58/431620058.db2.gz MWOVBASZDCSWDE-GFCCVEGCSA-N 2 1 301.356 2.922 20 0 DFADMP C[C@]1(C[NH3+])CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647536784 431623059 /nfs/dbraw/zinc/62/30/59/431623059.db2.gz CGOZAJUOLYYGDW-QGZVFWFLSA-N 2 1 318.852 2.756 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647536784 431623065 /nfs/dbraw/zinc/62/30/65/431623065.db2.gz CGOZAJUOLYYGDW-QGZVFWFLSA-N 2 1 318.852 2.756 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544167 431624887 /nfs/dbraw/zinc/62/48/87/431624887.db2.gz XSBYUNKTSWARFZ-HZPDHXFCSA-N 2 1 316.445 2.669 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543878 431625848 /nfs/dbraw/zinc/62/58/48/431625848.db2.gz TVUJASFXAAUPAE-HOTGVXAUSA-N 2 1 304.434 2.612 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1ccccc1C[NH2+]C ZINC000647656890 431648821 /nfs/dbraw/zinc/64/88/21/431648821.db2.gz HIXRFDKWHPUAIL-ZDUSSCGKSA-N 2 1 300.406 2.755 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1F ZINC000650723132 431664320 /nfs/dbraw/zinc/66/43/20/431664320.db2.gz HVMNHDZPKYXYBL-UXLLHSPISA-N 2 1 322.424 2.695 20 0 DFADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723981 431664337 /nfs/dbraw/zinc/66/43/37/431664337.db2.gz WLGKPBQAYXFJQS-NWANDNLSSA-N 2 1 309.479 2.566 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1F ZINC000650723131 431664478 /nfs/dbraw/zinc/66/44/78/431664478.db2.gz HVMNHDZPKYXYBL-INMHGKMJSA-N 2 1 322.424 2.695 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650724018 431666631 /nfs/dbraw/zinc/66/66/31/431666631.db2.gz XGFNJBFWAOSNPI-RCCFBDPRSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1nc(NC[C@@H]2CC[N@H+](C(C)(C)C)C2)nc(N(C)C)n1 ZINC000664138813 431667569 /nfs/dbraw/zinc/66/75/69/431667569.db2.gz VMCIQSBPPFCDKG-ZDUSSCGKSA-N 2 1 320.485 2.593 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1C ZINC000650724169 431667695 /nfs/dbraw/zinc/66/76/95/431667695.db2.gz ZLFDTOKNPUSSLK-SCTDSRPQSA-N 2 1 318.461 2.864 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CO1 ZINC000657329407 431679895 /nfs/dbraw/zinc/67/98/95/431679895.db2.gz QMTXAZJEBQSVST-GJZGRUSLSA-N 2 1 303.381 2.977 20 0 DFADMP Cc1ncc(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000657335099 431683300 /nfs/dbraw/zinc/68/33/00/431683300.db2.gz LJRHAXQVCNLFKZ-GOSISDBHSA-N 2 1 312.461 2.730 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)n1C ZINC000657335099 431683308 /nfs/dbraw/zinc/68/33/08/431683308.db2.gz LJRHAXQVCNLFKZ-GOSISDBHSA-N 2 1 312.461 2.730 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1C ZINC000657335099 431683313 /nfs/dbraw/zinc/68/33/13/431683313.db2.gz LJRHAXQVCNLFKZ-GOSISDBHSA-N 3 1 312.461 2.730 20 0 DFADMP c1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000647785507 431684403 /nfs/dbraw/zinc/68/44/03/431684403.db2.gz ALRNUIWDMQAMSS-GVDBMIGSSA-N 2 1 300.402 2.680 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763980 431685540 /nfs/dbraw/zinc/68/55/40/431685540.db2.gz NKYRMZHSUUGYIM-PXNSSMCTSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763980 431685545 /nfs/dbraw/zinc/68/55/45/431685545.db2.gz NKYRMZHSUUGYIM-PXNSSMCTSA-N 3 1 315.505 2.876 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCC1 ZINC000647788622 431687711 /nfs/dbraw/zinc/68/77/11/431687711.db2.gz NINXAKLVXNUSHX-MKXGPGLRSA-N 2 1 307.526 2.865 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000657354589 431695195 /nfs/dbraw/zinc/69/51/95/431695195.db2.gz SGDUOQUITZXMRF-GBESFXJTSA-N 2 1 302.462 2.708 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+](C)CCC[NH3+])CCC2)c1 ZINC000647847666 431705270 /nfs/dbraw/zinc/70/52/70/431705270.db2.gz ZGCAYHDMTRXCIA-UHFFFAOYSA-N 2 1 306.450 2.663 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@H+](C)CCC[NH3+] ZINC000647849272 431707313 /nfs/dbraw/zinc/70/73/13/431707313.db2.gz NMFALXLCXRUWHX-LSDHHAIUSA-N 2 1 313.445 2.686 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1cccc2ccccc21)[N@@H+](C)CCC[NH3+] ZINC000647849272 431707317 /nfs/dbraw/zinc/70/73/17/431707317.db2.gz NMFALXLCXRUWHX-LSDHHAIUSA-N 2 1 313.445 2.686 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647902805 431723906 /nfs/dbraw/zinc/72/39/06/431723906.db2.gz CDOIGTVEXZSTTL-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3NCC[NH+]2CCCCC2)cc1 ZINC000647908873 431724060 /nfs/dbraw/zinc/72/40/60/431724060.db2.gz XHOGXXFBRZSHSR-YOFSQIOKSA-N 2 1 313.489 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904236 431724145 /nfs/dbraw/zinc/72/41/45/431724145.db2.gz ZOPIFFPLXKDWGP-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647904236 431724156 /nfs/dbraw/zinc/72/41/56/431724156.db2.gz ZOPIFFPLXKDWGP-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH+](C)CCCOc1cccc(NCc2c[nH+]c3n2CCC3)c1 ZINC000657408978 431732909 /nfs/dbraw/zinc/73/29/09/431732909.db2.gz OOESENHZMPLJIQ-UHFFFAOYSA-N 2 1 314.433 2.772 20 0 DFADMP CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960387 431750836 /nfs/dbraw/zinc/75/08/36/431750836.db2.gz WCQABINCEMSYII-WBVHZDCISA-N 2 1 308.466 2.779 20 0 DFADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960387 431750843 /nfs/dbraw/zinc/75/08/43/431750843.db2.gz WCQABINCEMSYII-WBVHZDCISA-N 2 1 308.466 2.779 20 0 DFADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960387 431750849 /nfs/dbraw/zinc/75/08/49/431750849.db2.gz WCQABINCEMSYII-WBVHZDCISA-N 2 1 308.466 2.779 20 0 DFADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)c1cccc(OC)c1 ZINC000647960387 431750852 /nfs/dbraw/zinc/75/08/52/431750852.db2.gz WCQABINCEMSYII-WBVHZDCISA-N 2 1 308.466 2.779 20 0 DFADMP C[C@]1(CNCc2cnn3c2CCC3)CCC[N@H+]1Cc1ccccc1 ZINC000657440603 431754374 /nfs/dbraw/zinc/75/43/74/431754374.db2.gz UAKBQTKDCANGDD-HXUWFJFHSA-N 2 1 324.472 2.974 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977757 431761335 /nfs/dbraw/zinc/76/13/35/431761335.db2.gz HEFMNTLQGVHNRJ-CVEARBPZSA-N 2 1 318.465 2.939 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977757 431761338 /nfs/dbraw/zinc/76/13/38/431761338.db2.gz HEFMNTLQGVHNRJ-CVEARBPZSA-N 2 1 318.465 2.939 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647978809 431761702 /nfs/dbraw/zinc/76/17/02/431761702.db2.gz YKVBFPYRAHSTLO-OALUTQOASA-N 2 1 314.473 2.876 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975850 431761913 /nfs/dbraw/zinc/76/19/13/431761913.db2.gz GUIDHGNLNSQCNP-KZNAEPCWSA-N 2 1 323.525 2.732 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647977755 431763417 /nfs/dbraw/zinc/76/34/17/431763417.db2.gz HBUHENBBHYYUSQ-IRXDYDNUSA-N 2 1 318.461 2.786 20 0 DFADMP C[NH+](C)CCC[N@H+](C)CCNc1ncc(Cl)cc1Cl ZINC000664247853 431714976 /nfs/dbraw/zinc/71/49/76/431714976.db2.gz SWTIWOUCIKXJBX-UHFFFAOYSA-N 2 1 305.253 2.684 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CCNc1ncc(Cl)cc1Cl ZINC000664247853 431714983 /nfs/dbraw/zinc/71/49/83/431714983.db2.gz SWTIWOUCIKXJBX-UHFFFAOYSA-N 2 1 305.253 2.684 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878312 431717145 /nfs/dbraw/zinc/71/71/45/431717145.db2.gz XUROQNUOAMYHOH-INIZCTEOSA-N 2 1 321.428 2.916 20 0 DFADMP Fc1ccccc1[C@@H]1C[N@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884149 431719218 /nfs/dbraw/zinc/71/92/18/431719218.db2.gz UOOCOTMWQZNJOY-SFHVURJKSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1ccccc1[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)CCO1 ZINC000647884149 431719224 /nfs/dbraw/zinc/71/92/24/431719224.db2.gz UOOCOTMWQZNJOY-SFHVURJKSA-N 2 1 306.425 2.979 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CC(C)(C)O)CC1)c1c(C)noc1C ZINC000647909388 431722228 /nfs/dbraw/zinc/72/22/28/431722228.db2.gz JKLMFTDMUSJZDZ-HNNXBMFYSA-N 2 1 309.454 2.567 20 0 DFADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc2ccnn2c1 ZINC000648025292 431788538 /nfs/dbraw/zinc/78/85/38/431788538.db2.gz SMHKZOQQNNRHSC-UHFFFAOYSA-N 2 1 315.465 2.864 20 0 DFADMP Cc1ccccc1-n1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000648035850 431792638 /nfs/dbraw/zinc/79/26/38/431792638.db2.gz SKWSAMUSRXICIS-SJLPKXTDSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cn1 ZINC000648035850 431792643 /nfs/dbraw/zinc/79/26/43/431792643.db2.gz SKWSAMUSRXICIS-SJLPKXTDSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cn1 ZINC000648035850 431792651 /nfs/dbraw/zinc/79/26/51/431792651.db2.gz SKWSAMUSRXICIS-SJLPKXTDSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(CN(C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000648035849 431793325 /nfs/dbraw/zinc/79/33/25/431793325.db2.gz SKWSAMUSRXICIS-FUHWJXTLSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cn1 ZINC000648035849 431793331 /nfs/dbraw/zinc/79/33/31/431793331.db2.gz SKWSAMUSRXICIS-FUHWJXTLSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(C[N@H+](C)[C@@H]2CCN(C)C[C@@H]2C)cn1 ZINC000648035849 431793338 /nfs/dbraw/zinc/79/33/38/431793338.db2.gz SKWSAMUSRXICIS-FUHWJXTLSA-N 2 1 312.461 2.953 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC[C@H]2C2CCC2)cc1 ZINC000648067287 431806330 /nfs/dbraw/zinc/80/63/30/431806330.db2.gz XSGZNLNOBZAZHS-IBGZPJMESA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000648072325 431807658 /nfs/dbraw/zinc/80/76/58/431807658.db2.gz YJMAYNUAORXKAX-QZTJIDSGSA-N 2 1 300.446 2.587 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1C[C@@H]1c1ccccc1)CCO2 ZINC000648072326 431807857 /nfs/dbraw/zinc/80/78/57/431807857.db2.gz YJMAYNUAORXKAX-ZWKOTPCHSA-N 2 1 300.446 2.587 20 0 DFADMP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCC1 ZINC000657558984 431808611 /nfs/dbraw/zinc/80/86/11/431808611.db2.gz IXEOIRXYWQKRTB-LJQANCHMSA-N 2 1 320.452 2.583 20 0 DFADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000647991222 431766100 /nfs/dbraw/zinc/76/61/00/431766100.db2.gz MEHNBGWUHQMALR-JKSUJKDBSA-N 2 1 303.450 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(C[C@@H]4CC[NH2+]C4)CC[C@H]32)cc1 ZINC000647990921 431766535 /nfs/dbraw/zinc/76/65/35/431766535.db2.gz VGJPHXWUORTZFX-VAMGGRTRSA-N 2 1 313.489 2.582 20 0 DFADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@@H]1CC[NH2+]C1 ZINC000647991536 431767220 /nfs/dbraw/zinc/76/72/20/431767220.db2.gz IOHIGLQPVKRNKW-GFCCVEGCSA-N 2 1 302.340 2.626 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(C[C@@H]4CC[NH2+]C4)CC[C@@H]32)cc1 ZINC000647990920 431767287 /nfs/dbraw/zinc/76/72/87/431767287.db2.gz VGJPHXWUORTZFX-AQNXPRMDSA-N 2 1 313.489 2.582 20 0 DFADMP C[N@H+]1C[C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000664570346 431822239 /nfs/dbraw/zinc/82/22/39/431822239.db2.gz FLMDMUWPACBUJI-WOJBJXKFSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000664570346 431822244 /nfs/dbraw/zinc/82/22/44/431822244.db2.gz FLMDMUWPACBUJI-WOJBJXKFSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@@H]2C1 ZINC000664570346 431822248 /nfs/dbraw/zinc/82/22/48/431822248.db2.gz FLMDMUWPACBUJI-WOJBJXKFSA-N 2 1 313.489 2.808 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000113198132 281057328 /nfs/dbraw/zinc/05/73/28/281057328.db2.gz LZBAIBSYKBZRDA-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000113198132 281057330 /nfs/dbraw/zinc/05/73/30/281057330.db2.gz LZBAIBSYKBZRDA-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)C1CC1 ZINC000366951169 281346035 /nfs/dbraw/zinc/34/60/35/281346035.db2.gz IYSVXOXYKCDHIR-ZCNNSNEGSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)C1CC1 ZINC000366951169 281346037 /nfs/dbraw/zinc/34/60/37/281346037.db2.gz IYSVXOXYKCDHIR-ZCNNSNEGSA-N 2 1 314.473 2.769 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cncn1C ZINC000153591265 289052230 /nfs/dbraw/zinc/05/22/30/289052230.db2.gz DYYZCNVPYMTPPO-HZPDHXFCSA-N 2 1 312.461 2.666 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)CCCCC1 ZINC000314871852 289062483 /nfs/dbraw/zinc/06/24/83/289062483.db2.gz YLRZTDFVHBASPF-STQMWFEESA-N 2 1 308.388 2.950 20 0 DFADMP O[C@H](C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccc(Cl)cc1 ZINC000363414595 289092093 /nfs/dbraw/zinc/09/20/93/289092093.db2.gz PFJUZDPCYRSPJS-NRSFXHEJSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccc(Cl)cc1 ZINC000363414595 289092094 /nfs/dbraw/zinc/09/20/94/289092094.db2.gz PFJUZDPCYRSPJS-NRSFXHEJSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccc(Cl)cc1 ZINC000363414595 289092095 /nfs/dbraw/zinc/09/20/95/289092095.db2.gz PFJUZDPCYRSPJS-NRSFXHEJSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccc(Cl)cc1 ZINC000363414595 289092096 /nfs/dbraw/zinc/09/20/96/289092096.db2.gz PFJUZDPCYRSPJS-NRSFXHEJSA-N 2 1 320.864 2.790 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)C1([NH3+])CCCCC1)c1ccccc1Cl ZINC000262211374 289276679 /nfs/dbraw/zinc/27/66/79/289276679.db2.gz KZOJBDADMDPZTP-HNNXBMFYSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476722 290019135 /nfs/dbraw/zinc/01/91/35/290019135.db2.gz YCFZICIRGCMSCO-FAJBIJEISA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476722 290019137 /nfs/dbraw/zinc/01/91/37/290019137.db2.gz YCFZICIRGCMSCO-FAJBIJEISA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476722 290019139 /nfs/dbraw/zinc/01/91/39/290019139.db2.gz YCFZICIRGCMSCO-FAJBIJEISA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476722 290019142 /nfs/dbraw/zinc/01/91/42/290019142.db2.gz YCFZICIRGCMSCO-FAJBIJEISA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476722 290019143 /nfs/dbraw/zinc/01/91/43/290019143.db2.gz YCFZICIRGCMSCO-FAJBIJEISA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476722 290019146 /nfs/dbraw/zinc/01/91/46/290019146.db2.gz YCFZICIRGCMSCO-FAJBIJEISA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476722 290019147 /nfs/dbraw/zinc/01/91/47/290019147.db2.gz YCFZICIRGCMSCO-FAJBIJEISA-N 3 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000438114864 297081018 /nfs/dbraw/zinc/08/10/18/297081018.db2.gz PIWMBTMGLSAVLN-ZIFCJYIRSA-N 2 1 324.509 2.624 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc(OC)c1OC ZINC000293316067 295018790 /nfs/dbraw/zinc/01/87/90/295018790.db2.gz FKJAHGZXRZOYDD-CHWSQXEVSA-N 2 1 310.438 2.561 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1OC ZINC000286156741 295137611 /nfs/dbraw/zinc/13/76/11/295137611.db2.gz PDHDRAYTTBDNGV-CQSZACIVSA-N 2 1 318.461 2.795 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000157595113 295350871 /nfs/dbraw/zinc/35/08/71/295350871.db2.gz IQGPCLGHKOLFTA-UHFFFAOYSA-N 2 1 319.497 2.865 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C)n2C2CC2)CC1 ZINC000157595113 295350872 /nfs/dbraw/zinc/35/08/72/295350872.db2.gz IQGPCLGHKOLFTA-UHFFFAOYSA-N 2 1 319.497 2.865 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158144568 295358972 /nfs/dbraw/zinc/35/89/72/295358972.db2.gz PLHULKAATNACGL-JKSUJKDBSA-N 2 1 306.450 2.704 20 0 DFADMP Cc1nnc([C@H]2CC23CC[NH+](CCCn2cc[nH+]c2C)CC3)o1 ZINC000363459645 295428259 /nfs/dbraw/zinc/42/82/59/295428259.db2.gz PLVZATMNCMILQD-OAHLLOKOSA-N 2 1 315.421 2.543 20 0 DFADMP CCc1ccc2c(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)cc(=O)oc2c1 ZINC000377494291 295477039 /nfs/dbraw/zinc/47/70/39/295477039.db2.gz HXLOHADJNUYPEL-OAHLLOKOSA-N 2 1 323.396 2.657 20 0 DFADMP C[C@@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000400399480 295497104 /nfs/dbraw/zinc/49/71/04/295497104.db2.gz KEEHWXMKJBUWKI-VQIMIIECSA-N 2 1 301.478 2.629 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000411549049 295545711 /nfs/dbraw/zinc/54/57/11/295545711.db2.gz FZICWRNCRMYDST-FGTMMUONSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C1(CO)C2CC3CC(C2)CC1C3 ZINC000412003056 295575673 /nfs/dbraw/zinc/57/56/73/295575673.db2.gz OJDOROQJTACRIB-UHFFFAOYSA-N 2 1 317.477 2.749 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]CC[C@H]2CCOC2)cc1F ZINC000438207010 297084701 /nfs/dbraw/zinc/08/47/01/297084701.db2.gz ZFUUDMRXLSBNCJ-AWEZNQCLSA-N 2 1 303.381 2.836 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438569942 297099188 /nfs/dbraw/zinc/09/91/88/297099188.db2.gz UZGNSSXLOALYIR-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438569942 297099189 /nfs/dbraw/zinc/09/91/89/297099189.db2.gz UZGNSSXLOALYIR-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438569942 297099190 /nfs/dbraw/zinc/09/91/90/297099190.db2.gz UZGNSSXLOALYIR-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000439085749 297114546 /nfs/dbraw/zinc/11/45/46/297114546.db2.gz KOYTYHGCNMRDAM-QWHCGFSZSA-N 2 1 307.438 2.644 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000439942685 297140970 /nfs/dbraw/zinc/14/09/70/297140970.db2.gz MBDSYTZLYCSQSJ-IAGOWNOFSA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000439942685 297140972 /nfs/dbraw/zinc/14/09/72/297140972.db2.gz MBDSYTZLYCSQSJ-IAGOWNOFSA-N 2 1 317.477 2.622 20 0 DFADMP C[NH+](C)C1(CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CCCCC1 ZINC000440156945 297146010 /nfs/dbraw/zinc/14/60/10/297146010.db2.gz PPOSOCXUVOVIER-KRWDZBQOSA-N 2 1 321.509 2.774 20 0 DFADMP CO[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441341967 297179844 /nfs/dbraw/zinc/17/98/44/297179844.db2.gz QJOGINBCJSRJSX-OKCGKKNSSA-N 2 1 310.482 2.541 20 0 DFADMP CO[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441341967 297179845 /nfs/dbraw/zinc/17/98/45/297179845.db2.gz QJOGINBCJSRJSX-OKCGKKNSSA-N 2 1 310.482 2.541 20 0 DFADMP CO[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441341967 297179847 /nfs/dbraw/zinc/17/98/47/297179847.db2.gz QJOGINBCJSRJSX-OKCGKKNSSA-N 2 1 310.482 2.541 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000441369675 297180867 /nfs/dbraw/zinc/18/08/67/297180867.db2.gz OACOPHYVEXMYDR-HOCLYGCPSA-N 2 1 305.466 2.519 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000442750988 297204416 /nfs/dbraw/zinc/20/44/16/297204416.db2.gz BKMYLKATYPWJCE-HUUCEWRRSA-N 2 1 311.429 2.838 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442757266 297204775 /nfs/dbraw/zinc/20/47/75/297204775.db2.gz LVSOAJYLHVBKFM-QLFBSQMISA-N 2 1 311.429 2.836 20 0 DFADMP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442757266 297204776 /nfs/dbraw/zinc/20/47/76/297204776.db2.gz LVSOAJYLHVBKFM-QLFBSQMISA-N 2 1 311.429 2.836 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000442765763 297205040 /nfs/dbraw/zinc/20/50/40/297205040.db2.gz MWURMRCIUFRYTO-MELADBBJSA-N 2 1 300.406 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)n1 ZINC000442765763 297205041 /nfs/dbraw/zinc/20/50/41/297205041.db2.gz MWURMRCIUFRYTO-MELADBBJSA-N 2 1 300.406 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000442765757 297205152 /nfs/dbraw/zinc/20/51/52/297205152.db2.gz MWURMRCIUFRYTO-HZSPNIEDSA-N 2 1 300.406 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)n1 ZINC000442765757 297205153 /nfs/dbraw/zinc/20/51/53/297205153.db2.gz MWURMRCIUFRYTO-HZSPNIEDSA-N 2 1 300.406 2.775 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCc3sccc32)CC1(C)C ZINC000442873392 297208751 /nfs/dbraw/zinc/20/87/51/297208751.db2.gz KYAYYNMVLNINKN-HNNXBMFYSA-N 2 1 307.507 2.741 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000442916834 297211278 /nfs/dbraw/zinc/21/12/78/297211278.db2.gz ARKAOYMTOXVMLM-GFCCVEGCSA-N 2 1 320.387 2.916 20 0 DFADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058235 297213836 /nfs/dbraw/zinc/21/38/36/297213836.db2.gz MRMCBMOEUCSWDQ-SJLPKXTDSA-N 2 1 317.477 2.657 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062275 297214443 /nfs/dbraw/zinc/21/44/43/297214443.db2.gz UFVVHZMNKUIIQD-KBPBESRZSA-N 2 1 307.413 2.522 20 0 DFADMP CCC[C@@]1(C(=O)OCC)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000444784415 297251091 /nfs/dbraw/zinc/25/10/91/297251091.db2.gz NTFXDXPESYORQU-KRWDZBQOSA-N 2 1 307.438 2.779 20 0 DFADMP CCC[C@@]1(C(=O)OCC)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000444784415 297251092 /nfs/dbraw/zinc/25/10/92/297251092.db2.gz NTFXDXPESYORQU-KRWDZBQOSA-N 2 1 307.438 2.779 20 0 DFADMP COC[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)C1CCCC1 ZINC000446819716 297287335 /nfs/dbraw/zinc/28/73/35/297287335.db2.gz VDFBCZVRXLDULY-SOLBZPMBSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC000447090354 297295179 /nfs/dbraw/zinc/29/51/79/297295179.db2.gz YDKQKRRAYZVJER-AWEZNQCLSA-N 2 1 323.506 2.804 20 0 DFADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447527966 297306568 /nfs/dbraw/zinc/30/65/68/297306568.db2.gz HMFWUPPTEJKLRZ-OALUTQOASA-N 2 1 316.420 2.622 20 0 DFADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1cncs1 ZINC000447835477 297319846 /nfs/dbraw/zinc/31/98/46/297319846.db2.gz ULZPPMKOWRWCAU-UHFFFAOYSA-N 2 1 308.451 2.577 20 0 DFADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cncs1 ZINC000447835477 297319848 /nfs/dbraw/zinc/31/98/48/297319848.db2.gz ULZPPMKOWRWCAU-UHFFFAOYSA-N 2 1 308.451 2.577 20 0 DFADMP COC(=O)C1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000448525454 297341232 /nfs/dbraw/zinc/34/12/32/297341232.db2.gz QUKHSZAZIKXLPZ-MRXNPFEDSA-N 2 1 308.466 2.528 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3ccoc32)CC1 ZINC000449030644 297394037 /nfs/dbraw/zinc/39/40/37/297394037.db2.gz UVUSXTTVZSDQTK-HNNXBMFYSA-N 2 1 316.445 2.957 20 0 DFADMP Cc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1F ZINC000449038131 297395783 /nfs/dbraw/zinc/39/57/83/297395783.db2.gz RSNOKMYQHFAYGS-AEFFLSMTSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1F ZINC000449038131 297395785 /nfs/dbraw/zinc/39/57/85/297395785.db2.gz RSNOKMYQHFAYGS-AEFFLSMTSA-N 2 1 319.468 2.592 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](CC(C)(C)C)[NH2+]C)C1 ZINC000449123125 297409252 /nfs/dbraw/zinc/40/92/52/297409252.db2.gz MQXONEFYIJQIRI-HUUCEWRRSA-N 2 1 320.481 2.633 20 0 DFADMP COCC[NH+]1CCC([NH2+]CC[C@@H]2CCc3ccccc32)CC1 ZINC000449374747 297455636 /nfs/dbraw/zinc/45/56/36/297455636.db2.gz GDNKBSMCTJNLTI-KRWDZBQOSA-N 2 1 302.462 2.807 20 0 DFADMP COC1([C@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055092 298057324 /nfs/dbraw/zinc/05/73/24/298057324.db2.gz DCPQYKFYNSPWCH-BBWFWOEESA-N 2 1 312.498 2.528 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453179640 298069266 /nfs/dbraw/zinc/06/92/66/298069266.db2.gz UYYOJGIXIOTDQQ-YDZRNGNQSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453182901 298069411 /nfs/dbraw/zinc/06/94/11/298069411.db2.gz SURLJDLRURKOQO-HNNXBMFYSA-N 2 1 310.445 3.000 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(OC)CCCC2)[C@H](C)C1 ZINC000453223183 298072926 /nfs/dbraw/zinc/07/29/26/298072926.db2.gz LONLVQWUYVPHCM-IAGOWNOFSA-N 2 1 312.498 2.672 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H]2CCC[C@H]21 ZINC000453335014 298084326 /nfs/dbraw/zinc/08/43/26/298084326.db2.gz FEISPFPRYZCSIK-SPOLIRPYSA-N 2 1 315.461 2.764 20 0 DFADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000453354432 298086601 /nfs/dbraw/zinc/08/66/01/298086601.db2.gz JSCXVVDDUVRRLA-IAGOWNOFSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453390003 298089214 /nfs/dbraw/zinc/08/92/14/298089214.db2.gz CQSFMMSJUJHPSL-MRXNPFEDSA-N 2 1 317.477 2.892 20 0 DFADMP Cc1csc(N2CCC([NH2+]CCCC[N@H+](C)C3CC3)CC2)n1 ZINC000453420460 298093463 /nfs/dbraw/zinc/09/34/63/298093463.db2.gz ZPFGTMUOXYOCHA-UHFFFAOYSA-N 2 1 322.522 2.884 20 0 DFADMP C[C@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)C[C@H]1CCC[NH2+]C1 ZINC000496165177 300024322 /nfs/dbraw/zinc/02/43/22/300024322.db2.gz GXXZJMCJWSNJOE-CABCVRRESA-N 2 1 317.433 2.636 20 0 DFADMP CCOC(=O)N1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000496379186 300054904 /nfs/dbraw/zinc/05/49/04/300054904.db2.gz GYCZNNXLHHBOFF-UHFFFAOYSA-N 2 1 311.470 2.509 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000497123575 300164939 /nfs/dbraw/zinc/16/49/39/300164939.db2.gz CLFADHXBOSVXCM-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])CC1 ZINC000498203414 300194459 /nfs/dbraw/zinc/19/44/59/300194459.db2.gz ZVBJTLLRFNVRCD-IEBWSBKVSA-N 2 1 323.525 2.865 20 0 DFADMP COCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000514092363 300259065 /nfs/dbraw/zinc/25/90/65/300259065.db2.gz FAVHWXNCUDXGAS-IPMKNSEASA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000514734965 300269205 /nfs/dbraw/zinc/26/92/05/300269205.db2.gz QSKDCXAGILWNON-RLLQIKCJSA-N 2 1 315.505 2.623 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000514863139 300275850 /nfs/dbraw/zinc/27/58/50/300275850.db2.gz OONXHGUGRBPOBM-NWDGAFQWSA-N 2 1 315.244 2.914 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000514863139 300275853 /nfs/dbraw/zinc/27/58/53/300275853.db2.gz OONXHGUGRBPOBM-NWDGAFQWSA-N 2 1 315.244 2.914 20 0 DFADMP CC[N@@H+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)[C@H](C)C1 ZINC000516478177 300344293 /nfs/dbraw/zinc/34/42/93/300344293.db2.gz HQHJXMSAQKKZGO-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP CC[N@H+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)[C@H](C)C1 ZINC000516478177 300344294 /nfs/dbraw/zinc/34/42/94/300344294.db2.gz HQHJXMSAQKKZGO-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP CCC[N@H+](CCCc1c[nH+]cn1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000516977902 300374960 /nfs/dbraw/zinc/37/49/60/300374960.db2.gz DHZZOAPXEKTCNX-BRWVUGGUSA-N 2 1 305.466 2.878 20 0 DFADMP CCC[N@@H+](CCCc1c[nH+]cn1C)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000516977902 300374963 /nfs/dbraw/zinc/37/49/63/300374963.db2.gz DHZZOAPXEKTCNX-BRWVUGGUSA-N 2 1 305.466 2.878 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)o1 ZINC000517271764 300391296 /nfs/dbraw/zinc/39/12/96/300391296.db2.gz UAYBQDVAJDKKPE-HNNXBMFYSA-N 2 1 317.389 2.544 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c(C)o1 ZINC000517271764 300391298 /nfs/dbraw/zinc/39/12/98/300391298.db2.gz UAYBQDVAJDKKPE-HNNXBMFYSA-N 2 1 317.389 2.544 20 0 DFADMP CCCc1csc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)n1 ZINC000521582383 300531417 /nfs/dbraw/zinc/53/14/17/300531417.db2.gz LIPUAWXZDVIORY-NVXWUHKLSA-N 2 1 323.506 2.814 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000530206638 301028718 /nfs/dbraw/zinc/02/87/18/301028718.db2.gz MDMPNHICQNKUFG-GOSISDBHSA-N 2 1 306.425 2.600 20 0 DFADMP C[C@]1(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)COc2ccccc2O1 ZINC000530207875 301029061 /nfs/dbraw/zinc/02/90/61/301029061.db2.gz DZHDSUQGLVEYIC-GJYPPUQNSA-N 2 1 310.397 2.951 20 0 DFADMP CC(C)[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000530460389 301050028 /nfs/dbraw/zinc/05/00/28/301050028.db2.gz PQIIYOYEBRMTBK-MRXNPFEDSA-N 2 1 314.389 2.796 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H](C)C1 ZINC000531681429 301103746 /nfs/dbraw/zinc/10/37/46/301103746.db2.gz XDRQBSVLPQYTNX-IRXDYDNUSA-N 2 1 311.514 2.735 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701617 301104756 /nfs/dbraw/zinc/10/47/56/301104756.db2.gz AMEZCBIBKPHRQJ-GJZGRUSLSA-N 2 1 315.461 2.954 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000531932068 301119110 /nfs/dbraw/zinc/11/91/10/301119110.db2.gz IZESCRGJKZKBDY-HUUCEWRRSA-N 2 1 307.507 2.815 20 0 DFADMP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1OC ZINC000531955356 301121246 /nfs/dbraw/zinc/12/12/46/301121246.db2.gz OWIWSCRLZBNJNZ-OFQRWUPVSA-N 2 1 306.450 2.565 20 0 DFADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532230469 301138516 /nfs/dbraw/zinc/13/85/16/301138516.db2.gz XKQHZLWQTCSXFM-QRVBRYPASA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532230469 301138518 /nfs/dbraw/zinc/13/85/18/301138518.db2.gz XKQHZLWQTCSXFM-QRVBRYPASA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000532239216 301139061 /nfs/dbraw/zinc/13/90/61/301139061.db2.gz KDTJTYWPHZOBOG-GGPKGHCWSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000532239216 301139062 /nfs/dbraw/zinc/13/90/62/301139062.db2.gz KDTJTYWPHZOBOG-GGPKGHCWSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000532239216 301139064 /nfs/dbraw/zinc/13/90/64/301139064.db2.gz KDTJTYWPHZOBOG-GGPKGHCWSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@@H]1C ZINC000532459768 301154154 /nfs/dbraw/zinc/15/41/54/301154154.db2.gz HCKGRXBJQOIMKF-IRXDYDNUSA-N 2 1 311.514 2.878 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532494274 301156294 /nfs/dbraw/zinc/15/62/94/301156294.db2.gz NYXAWWUUAFXWBE-GFCCVEGCSA-N 2 1 312.417 2.772 20 0 DFADMP COc1ccc2c(c1)[C@H](NCC[N@@H+]1CC[C@@H](C)C1)CCCO2 ZINC000532530226 301158155 /nfs/dbraw/zinc/15/81/55/301158155.db2.gz IEUMUOIKVFPJSP-RHSMWYFYSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc2c(c1)[C@H](NCC[N@H+]1CC[C@@H](C)C1)CCCO2 ZINC000532530226 301158156 /nfs/dbraw/zinc/15/81/56/301158156.db2.gz IEUMUOIKVFPJSP-RHSMWYFYSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccnc1 ZINC000532641647 301165169 /nfs/dbraw/zinc/16/51/69/301165169.db2.gz WYQKSBZLEUXNEC-PXNSSMCTSA-N 2 1 324.472 2.721 20 0 DFADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000533376522 301198492 /nfs/dbraw/zinc/19/84/92/301198492.db2.gz XGLMZDGJFWUSPI-KRWDZBQOSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000533376522 301198493 /nfs/dbraw/zinc/19/84/93/301198493.db2.gz XGLMZDGJFWUSPI-KRWDZBQOSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000533376522 301198494 /nfs/dbraw/zinc/19/84/94/301198494.db2.gz XGLMZDGJFWUSPI-KRWDZBQOSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCOCC1 ZINC000536853013 301291845 /nfs/dbraw/zinc/29/18/45/301291845.db2.gz ROFYCOLHFKMRCN-GOSISDBHSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000537237840 301296704 /nfs/dbraw/zinc/29/67/04/301296704.db2.gz UCSKTUFANRVGNI-DOTOQJQBSA-N 2 1 305.466 2.520 20 0 DFADMP CCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)s1 ZINC000539898599 301353322 /nfs/dbraw/zinc/35/33/22/301353322.db2.gz YBZSPUWJVJZRIC-RRQGHBQHSA-N 2 1 308.491 2.994 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1)C1CC1 ZINC000540517730 301364526 /nfs/dbraw/zinc/36/45/26/301364526.db2.gz XGGIGOQBMAXLQZ-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP COC(=O)[C@@H](C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000541057459 301382198 /nfs/dbraw/zinc/38/21/98/301382198.db2.gz LTJUQQOFPPWRRE-MAUKXSAKSA-N 2 1 322.493 2.915 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)[C@H]1C ZINC000562340489 301962835 /nfs/dbraw/zinc/96/28/35/301962835.db2.gz UOIFJPTXWIMLRU-UGUYLWEFSA-N 2 1 307.507 2.671 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)[C@@H]1C ZINC000562340488 301963063 /nfs/dbraw/zinc/96/30/63/301963063.db2.gz UOIFJPTXWIMLRU-LVQVYYBASA-N 2 1 307.507 2.671 20 0 DFADMP COc1cc2c(cc1C[NH2+]CCCC[N@@H+](C)C1CC1)O[C@@H](C)C2 ZINC000562803603 302004164 /nfs/dbraw/zinc/00/41/64/302004164.db2.gz PTDNKPGRJUITBM-AWEZNQCLSA-N 2 1 318.461 2.983 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120213 302038738 /nfs/dbraw/zinc/03/87/38/302038738.db2.gz XFUMAXVKJRHNOT-ZWKOTPCHSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120213 302038739 /nfs/dbraw/zinc/03/87/39/302038739.db2.gz XFUMAXVKJRHNOT-ZWKOTPCHSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3C)c2C1 ZINC000563203135 302048515 /nfs/dbraw/zinc/04/85/15/302048515.db2.gz OHAGAQGARSMBPH-GDBMZVCRSA-N 2 1 315.461 2.985 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000563361548 302066613 /nfs/dbraw/zinc/06/66/13/302066613.db2.gz LIPVRCLIXLHSRP-UXBLZVDNSA-N 2 1 302.462 2.915 20 0 DFADMP Cn1c[nH+]cc1CCCN1CCOC[C@@H]1c1ccc(F)cc1 ZINC000563367217 302067190 /nfs/dbraw/zinc/06/71/90/302067190.db2.gz UYKVNMMWAOLDIK-QGZVFWFLSA-N 2 1 303.381 2.565 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000563741333 302096060 /nfs/dbraw/zinc/09/60/60/302096060.db2.gz SRUUXIVRVYZBDP-KANFNMMFSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000563741333 302096062 /nfs/dbraw/zinc/09/60/62/302096062.db2.gz SRUUXIVRVYZBDP-KANFNMMFSA-N 2 1 302.462 2.933 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563821311 302100978 /nfs/dbraw/zinc/10/09/78/302100978.db2.gz QPUWOJTYKCWZDY-INIZCTEOSA-N 2 1 308.466 2.608 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563821311 302100980 /nfs/dbraw/zinc/10/09/80/302100980.db2.gz QPUWOJTYKCWZDY-INIZCTEOSA-N 2 1 308.466 2.608 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563821311 302100983 /nfs/dbraw/zinc/10/09/83/302100983.db2.gz QPUWOJTYKCWZDY-INIZCTEOSA-N 2 1 308.466 2.608 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563821311 302100985 /nfs/dbraw/zinc/10/09/85/302100985.db2.gz QPUWOJTYKCWZDY-INIZCTEOSA-N 2 1 308.466 2.608 20 0 DFADMP COCC[NH2+]C1CC[NH+]([C@H]2CCCc3ccc(F)cc32)CC1 ZINC000564733398 302154847 /nfs/dbraw/zinc/15/48/47/302154847.db2.gz QOZWHFWILMDMCF-SFHVURJKSA-N 2 1 306.425 2.904 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000564973458 302178329 /nfs/dbraw/zinc/17/83/29/302178329.db2.gz DRMIWYRXYXQCED-IBGZPJMESA-N 2 1 310.445 2.961 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)cc1 ZINC000564989556 302179914 /nfs/dbraw/zinc/17/99/14/302179914.db2.gz RBLDRGMAXLUOOM-SCTDSRPQSA-N 2 1 318.461 2.629 20 0 DFADMP C[C@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+]1CC(C)C1 ZINC000565189469 302204859 /nfs/dbraw/zinc/20/48/59/302204859.db2.gz CHCPENWUOAZSQG-OAHLLOKOSA-N 2 1 315.461 2.602 20 0 DFADMP C[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1CC(C)C1 ZINC000565189469 302204861 /nfs/dbraw/zinc/20/48/61/302204861.db2.gz CHCPENWUOAZSQG-OAHLLOKOSA-N 2 1 315.461 2.602 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000565481043 302226968 /nfs/dbraw/zinc/22/69/68/302226968.db2.gz MOUBTDUBDLVHOE-UHFFFAOYSA-N 3 1 309.457 2.900 20 0 DFADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000565540392 302228983 /nfs/dbraw/zinc/22/89/83/302228983.db2.gz TVWADZVJOAWDBT-HZPDHXFCSA-N 2 1 302.462 2.904 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000566088557 302258574 /nfs/dbraw/zinc/25/85/74/302258574.db2.gz ALGCULDUYJFQQF-RDTXWAMCSA-N 2 1 308.429 2.621 20 0 DFADMP Cc1ccc(C)c([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1 ZINC000566103585 302260167 /nfs/dbraw/zinc/26/01/67/302260167.db2.gz BBQHRCJWEUOBDO-AWEZNQCLSA-N 2 1 313.449 2.739 20 0 DFADMP C[C@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000566289371 302274974 /nfs/dbraw/zinc/27/49/74/302274974.db2.gz STEWYZFSSRWLLT-JFIYKMOQSA-N 2 1 317.477 2.846 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CC(C)(C)C)CC2)CC1 ZINC000566438087 302286345 /nfs/dbraw/zinc/28/63/45/302286345.db2.gz WYCVDQSQXBAOMM-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)C1 ZINC000566571392 302296369 /nfs/dbraw/zinc/29/63/69/302296369.db2.gz ACWZFAUDQCVJDZ-QZTJIDSGSA-N 2 1 312.461 2.875 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]CCC(=O)Nc1ccccc1 ZINC000567345511 302351807 /nfs/dbraw/zinc/35/18/07/302351807.db2.gz KKYQOERUCFMBEB-UHFFFAOYSA-N 2 1 300.406 2.590 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C(C)C)C3CC3)CC2)CC1 ZINC000567364349 302353875 /nfs/dbraw/zinc/35/38/75/302353875.db2.gz HDQLDVMDKBDXLY-UHFFFAOYSA-N 2 1 321.509 2.582 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406963 302357080 /nfs/dbraw/zinc/35/70/80/302357080.db2.gz XUHPFOZTIJGWQM-ZIFCJYIRSA-N 2 1 319.493 2.938 20 0 DFADMP c1ccc([C@@H](NCc2n[nH]c(C3CC[NH2+]CC3)n2)C2CC2)cc1 ZINC000567580883 302369613 /nfs/dbraw/zinc/36/96/13/302369613.db2.gz ACSPGTDYMMKMFP-QGZVFWFLSA-N 2 1 311.433 2.513 20 0 DFADMP c1ccc([C@@H]([NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)C2CC2)cc1 ZINC000567580883 302369614 /nfs/dbraw/zinc/36/96/14/302369614.db2.gz ACSPGTDYMMKMFP-QGZVFWFLSA-N 2 1 311.433 2.513 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H](c1ncc[nH]1)C1CCCCC1 ZINC000567655161 302376497 /nfs/dbraw/zinc/37/64/97/302376497.db2.gz GHEJPADESXUAIU-UONOGXRCSA-N 2 1 312.408 2.866 20 0 DFADMP CC(C)[NH2+]CCCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567723917 302384336 /nfs/dbraw/zinc/38/43/36/302384336.db2.gz BHFYQLBGNXNHNO-IEBWSBKVSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567723917 302384339 /nfs/dbraw/zinc/38/43/39/302384339.db2.gz BHFYQLBGNXNHNO-IEBWSBKVSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567723917 302384342 /nfs/dbraw/zinc/38/43/42/302384342.db2.gz BHFYQLBGNXNHNO-IEBWSBKVSA-N 3 1 303.494 2.875 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567825212 302390580 /nfs/dbraw/zinc/39/05/80/302390580.db2.gz BKBJYCBWWDDECL-RDJZCZTQSA-N 2 1 305.466 2.703 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000571890419 302637174 /nfs/dbraw/zinc/63/71/74/302637174.db2.gz FLDWXIPCWXZAGY-AWEZNQCLSA-N 2 1 321.371 2.578 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181545435 316062464 /nfs/dbraw/zinc/06/24/64/316062464.db2.gz KYQXKWPXBVDKPF-LJQANCHMSA-N 2 1 313.445 2.915 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@H](Cc2ccccc2)C1 ZINC000181545435 316062467 /nfs/dbraw/zinc/06/24/67/316062467.db2.gz KYQXKWPXBVDKPF-LJQANCHMSA-N 2 1 313.445 2.915 20 0 DFADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000181751467 316071447 /nfs/dbraw/zinc/07/14/47/316071447.db2.gz UXLJOFIIYMBWMM-CVEARBPZSA-N 2 1 312.498 2.527 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccc(F)c1F ZINC000183262469 316135436 /nfs/dbraw/zinc/13/54/36/316135436.db2.gz NYZZOWZQTWQYMX-UONOGXRCSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686655 316189948 /nfs/dbraw/zinc/18/99/48/316189948.db2.gz WUECUVXKHWAMCQ-QZTJIDSGSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686655 316189951 /nfs/dbraw/zinc/18/99/51/316189951.db2.gz WUECUVXKHWAMCQ-QZTJIDSGSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686655 316189954 /nfs/dbraw/zinc/18/99/54/316189954.db2.gz WUECUVXKHWAMCQ-QZTJIDSGSA-N 2 1 307.526 2.961 20 0 DFADMP CC(C)N1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000185739829 316191466 /nfs/dbraw/zinc/19/14/66/316191466.db2.gz ACDIKZFXLIELPR-LZLYRXPVSA-N 2 1 321.509 2.628 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCC[C@H](CC[NH3+])C1)O[C@H](C)C2 ZINC000317068393 316247344 /nfs/dbraw/zinc/24/73/44/316247344.db2.gz ZJTOESVPZZCNPJ-ZIAGYGMSSA-N 2 1 304.434 2.579 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCC[C@H]1O ZINC000328366767 316263373 /nfs/dbraw/zinc/26/33/73/316263373.db2.gz RFYSSUYOQHNNIB-SLFFLAALSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCC[C@H]1O ZINC000328366767 316263375 /nfs/dbraw/zinc/26/33/75/316263375.db2.gz RFYSSUYOQHNNIB-SLFFLAALSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCC[C@H]1O ZINC000328366767 316263378 /nfs/dbraw/zinc/26/33/78/316263378.db2.gz RFYSSUYOQHNNIB-SLFFLAALSA-N 2 1 316.489 2.991 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000339509097 316306389 /nfs/dbraw/zinc/30/63/89/316306389.db2.gz XGHMIFDBAYICBZ-BEFAXECRSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000339509097 316306395 /nfs/dbraw/zinc/30/63/95/316306395.db2.gz XGHMIFDBAYICBZ-BEFAXECRSA-N 2 1 312.461 2.729 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NCCOC)cc2)[C@@H](C)C1 ZINC000347308765 316319879 /nfs/dbraw/zinc/31/98/79/316319879.db2.gz JRVZFCZSEWIVFF-MAUKXSAKSA-N 2 1 305.466 2.565 20 0 DFADMP C[N@H+]1CC[C@@H](c2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)C1 ZINC000349930579 316371414 /nfs/dbraw/zinc/37/14/14/316371414.db2.gz XKQPHYGCNDTIQL-MRXNPFEDSA-N 2 1 312.417 2.752 20 0 DFADMP COc1cccc(C[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000360016029 316572865 /nfs/dbraw/zinc/57/28/65/316572865.db2.gz MFPAOBFGAPGLOU-AEFFLSMTSA-N 2 1 311.429 2.817 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000414796196 316661156 /nfs/dbraw/zinc/66/11/56/316661156.db2.gz NVMNXJCSSLNJJJ-GFCCVEGCSA-N 2 1 320.355 2.709 20 0 DFADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC(F)F ZINC000414811602 316665203 /nfs/dbraw/zinc/66/52/03/316665203.db2.gz JRLRJBGYNZQMJG-FUNVUKJBSA-N 2 1 312.360 2.669 20 0 DFADMP C[C@@H]1CC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)O1 ZINC000434692331 316910972 /nfs/dbraw/zinc/91/09/72/316910972.db2.gz XDTGJCZYWVRBIV-RHSMWYFYSA-N 2 1 303.450 2.966 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H](C)O ZINC000449546530 317040079 /nfs/dbraw/zinc/04/00/79/317040079.db2.gz WAILYJHITWEOCJ-GYFISPQKSA-N 2 1 302.462 2.646 20 0 DFADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000449667099 317049398 /nfs/dbraw/zinc/04/93/98/317049398.db2.gz FQLYPXQDOGTSNA-LJQANCHMSA-N 2 1 321.424 2.893 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000450097939 317059390 /nfs/dbraw/zinc/05/93/90/317059390.db2.gz RQZDFGOLPGDWOI-NXHRZFHOSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000450097939 317059393 /nfs/dbraw/zinc/05/93/93/317059393.db2.gz RQZDFGOLPGDWOI-NXHRZFHOSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000450097939 317059397 /nfs/dbraw/zinc/05/93/97/317059397.db2.gz RQZDFGOLPGDWOI-NXHRZFHOSA-N 2 1 321.509 2.628 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000450384497 317088602 /nfs/dbraw/zinc/08/86/02/317088602.db2.gz BOFAARXQOBEEPG-ATYVUACHSA-N 2 1 313.489 2.802 20 0 DFADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CCOCC1 ZINC000453062814 317157838 /nfs/dbraw/zinc/15/78/38/317157838.db2.gz QQPSYQFXWYFQFN-SJORKVTESA-N 2 1 312.498 2.672 20 0 DFADMP CC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccncc1 ZINC000453101111 317162104 /nfs/dbraw/zinc/16/21/04/317162104.db2.gz YTUNXAZGLXTZDE-SFHVURJKSA-N 2 1 304.482 2.540 20 0 DFADMP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000453203026 317168801 /nfs/dbraw/zinc/16/88/01/317168801.db2.gz DSZAAWQIZISEEX-MSOLQXFVSA-N 2 1 319.493 2.883 20 0 DFADMP C[C@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000453203026 317168805 /nfs/dbraw/zinc/16/88/05/317168805.db2.gz DSZAAWQIZISEEX-MSOLQXFVSA-N 2 1 319.493 2.883 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453364983 317180636 /nfs/dbraw/zinc/18/06/36/317180636.db2.gz CHFLDYRDHPIMHC-DSLXNQLJSA-N 2 1 302.462 2.648 20 0 DFADMP Cn1c2ccc(C[NH2+]CCCC[N@@H+](C)C3CC3)cc2sc1=O ZINC000453593078 317192995 /nfs/dbraw/zinc/19/29/95/317192995.db2.gz GEKFFTUXVOKIKV-UHFFFAOYSA-N 2 1 319.474 2.564 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456705641 317244885 /nfs/dbraw/zinc/24/48/85/317244885.db2.gz IHAZKHGFVBRMFM-JKSUJKDBSA-N 2 1 323.525 2.543 20 0 DFADMP Cn1cncc1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459334145 317320152 /nfs/dbraw/zinc/32/01/52/317320152.db2.gz FJGWXUTTZHDEBW-QGZVFWFLSA-N 2 1 304.482 2.551 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000471000728 317332986 /nfs/dbraw/zinc/33/29/86/317332986.db2.gz ITOFRRGFWQDWFV-FRYIKTPZSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000471000728 317332988 /nfs/dbraw/zinc/33/29/88/317332988.db2.gz ITOFRRGFWQDWFV-FRYIKTPZSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@H]1C[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CCO1 ZINC000471000728 317332990 /nfs/dbraw/zinc/33/29/90/317332990.db2.gz ITOFRRGFWQDWFV-FRYIKTPZSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@@H]1CSCC[NH+](C/C=C\C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000488183678 317373231 /nfs/dbraw/zinc/37/32/31/317373231.db2.gz YFNVXGVTBIKNBF-HFZJXRFXSA-N 2 1 314.564 2.912 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(C)cc2)CC1 ZINC000488386661 317388609 /nfs/dbraw/zinc/38/86/09/317388609.db2.gz APWSCPUTQWMKIL-UHFFFAOYSA-N 2 1 317.477 2.987 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC[C@H](C)C1 ZINC000488397187 317389328 /nfs/dbraw/zinc/38/93/28/317389328.db2.gz LBLBCMKSNDHWJC-CYBMUJFWSA-N 2 1 302.447 2.761 20 0 DFADMP C[C@@H]1C[C@@H]1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000488436964 317393304 /nfs/dbraw/zinc/39/33/04/317393304.db2.gz CNQDKPDLGGPQFA-BHIYHBOVSA-N 2 1 301.478 2.611 20 0 DFADMP COc1cnccc1[C@@H](C)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000527073944 317741362 /nfs/dbraw/zinc/74/13/62/317741362.db2.gz GQOGQXVQHWIGNB-CQSZACIVSA-N 2 1 323.400 2.830 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000574510696 318022441 /nfs/dbraw/zinc/02/24/41/318022441.db2.gz TXASKSLOZMCRQC-GXTWGEPZSA-N 2 1 318.387 2.846 20 0 DFADMP Cc1cnc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000574563262 318024590 /nfs/dbraw/zinc/02/45/90/318024590.db2.gz WMFMQJYCHHHKCC-YOEHRIQHSA-N 2 1 315.442 2.797 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574630789 318029348 /nfs/dbraw/zinc/02/93/48/318029348.db2.gz WXTPNFRQUBLXMN-FGTMMUONSA-N 2 1 315.461 2.552 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000574652210 318031922 /nfs/dbraw/zinc/03/19/22/318031922.db2.gz VILKREQNDYTOLW-QWRGUYRKSA-N 2 1 318.339 2.953 20 0 DFADMP CC[C@H](CC(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000574736614 318036948 /nfs/dbraw/zinc/03/69/48/318036948.db2.gz GMHXSKZLRRVASR-OAHLLOKOSA-N 2 1 318.465 2.844 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000574868942 318045874 /nfs/dbraw/zinc/04/58/74/318045874.db2.gz FNJUUIMHLQAJML-QFBILLFUSA-N 2 1 322.468 2.973 20 0 DFADMP Cc1cc(C)cc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1 ZINC000575796761 318083825 /nfs/dbraw/zinc/08/38/25/318083825.db2.gz OCXSQCXFZWUKEQ-AWEZNQCLSA-N 2 1 313.449 2.739 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000575984656 318096116 /nfs/dbraw/zinc/09/61/16/318096116.db2.gz BRLASLJXOJMYOF-DOTOQJQBSA-N 2 1 317.477 2.559 20 0 DFADMP FC[C@H]1CCC[N@H+]1Cc1cncc(CN2CCC[C@H]2CF)c1 ZINC000575987520 318096334 /nfs/dbraw/zinc/09/63/34/318096334.db2.gz AZWABUWZXNZCOI-CALCHBBNSA-N 2 1 309.404 2.949 20 0 DFADMP FC[C@H]1CCC[N@@H+]1Cc1cncc(CN2CCC[C@H]2CF)c1 ZINC000575987520 318096337 /nfs/dbraw/zinc/09/63/37/318096337.db2.gz AZWABUWZXNZCOI-CALCHBBNSA-N 2 1 309.404 2.949 20 0 DFADMP Cc1nn(C)cc1[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000576099514 318103437 /nfs/dbraw/zinc/10/34/37/318103437.db2.gz XYJMVFUVYNNCJU-AXHXJEIGSA-N 2 1 302.466 2.533 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC(c2c[nH]c3ccccc32)CC1 ZINC000576456120 318127122 /nfs/dbraw/zinc/12/71/22/318127122.db2.gz WYOABEXNCVXGHK-INIZCTEOSA-N 2 1 315.461 2.660 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@@H](n2cncn2)C1 ZINC000576576346 318135401 /nfs/dbraw/zinc/13/54/01/318135401.db2.gz YBTIMTQXBXBVFX-NXHRZFHOSA-N 2 1 319.497 2.910 20 0 DFADMP O[C@@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746433 318146984 /nfs/dbraw/zinc/14/69/84/318146984.db2.gz HZWRGYSSTGKZPG-NHCUHLMSSA-N 2 1 324.468 2.702 20 0 DFADMP O[C@H](C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746436 318147076 /nfs/dbraw/zinc/14/70/76/318147076.db2.gz HZWRGYSSTGKZPG-RTWAWAEBSA-N 2 1 324.468 2.702 20 0 DFADMP CC1(C)CCC[NH2+][C@@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000576814953 318151955 /nfs/dbraw/zinc/15/19/55/318151955.db2.gz LLBSOAFVYIYFGL-MBHSVXNSSA-N 2 1 308.388 2.590 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C[NH3+])C1 ZINC000577280760 318182607 /nfs/dbraw/zinc/18/26/07/318182607.db2.gz MPIQHISIULJPQR-MJBXVCDLSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000577280760 318182610 /nfs/dbraw/zinc/18/26/10/318182610.db2.gz MPIQHISIULJPQR-MJBXVCDLSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454582 318193263 /nfs/dbraw/zinc/19/32/63/318193263.db2.gz NRJKOJKMFBTEHW-QRQLOZEOSA-N 2 1 304.478 2.815 20 0 DFADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454582 318193265 /nfs/dbraw/zinc/19/32/65/318193265.db2.gz NRJKOJKMFBTEHW-QRQLOZEOSA-N 2 1 304.478 2.815 20 0 DFADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)CC[C@@H]1c1ccccc1 ZINC000577454582 318193268 /nfs/dbraw/zinc/19/32/68/318193268.db2.gz NRJKOJKMFBTEHW-QRQLOZEOSA-N 2 1 304.478 2.815 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@@](C)(O)C(F)(F)F)c1 ZINC000577621928 318205785 /nfs/dbraw/zinc/20/57/85/318205785.db2.gz LPVXKIDKZJLNKV-CQSZACIVSA-N 2 1 304.356 2.541 20 0 DFADMP C[C@@H]1[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)CCCN1Cc1ccccc1 ZINC000577873241 318223716 /nfs/dbraw/zinc/22/37/16/318223716.db2.gz UTKBFSPLTBOTIJ-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@H](NC[C@H]2CCC[NH+](C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000577873241 318223720 /nfs/dbraw/zinc/22/37/20/318223720.db2.gz UTKBFSPLTBOTIJ-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@H](NC[C@H]2CCC[N@H+](C)C2)CCC[NH+]1Cc1ccccc1 ZINC000577873241 318223722 /nfs/dbraw/zinc/22/37/22/318223722.db2.gz UTKBFSPLTBOTIJ-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@H](NC[C@H]2CCC[N@@H+](C)C2)CCC[NH+]1Cc1ccccc1 ZINC000577873241 318223725 /nfs/dbraw/zinc/22/37/25/318223725.db2.gz UTKBFSPLTBOTIJ-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)CCCN1Cc1ccccc1 ZINC000577873243 318223815 /nfs/dbraw/zinc/22/38/15/318223815.db2.gz UTKBFSPLTBOTIJ-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@H](NC[C@@H]2CCC[NH+](C)C2)CCC[N@H+]1Cc1ccccc1 ZINC000577873243 318223821 /nfs/dbraw/zinc/22/38/21/318223821.db2.gz UTKBFSPLTBOTIJ-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@H](NC[C@@H]2CCC[N@H+](C)C2)CCC[NH+]1Cc1ccccc1 ZINC000577873243 318223822 /nfs/dbraw/zinc/22/38/22/318223822.db2.gz UTKBFSPLTBOTIJ-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1[C@H](NC[C@@H]2CCC[N@@H+](C)C2)CCC[NH+]1Cc1ccccc1 ZINC000577873243 318223825 /nfs/dbraw/zinc/22/38/25/318223825.db2.gz UTKBFSPLTBOTIJ-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[C@@H]1C[N@@H+](C)CCN1Cc1nc(C(C)C)n2ccccc12 ZINC000577957175 318228871 /nfs/dbraw/zinc/22/88/71/318228871.db2.gz GUAGOOMFNICOJT-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP CC[C@@H]1C[N@H+](C)CCN1Cc1[nH+]c(C(C)C)n2ccccc12 ZINC000577957175 318228874 /nfs/dbraw/zinc/22/88/74/318228874.db2.gz GUAGOOMFNICOJT-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP CC1(C)CC[N@@H+](CC(=O)NC2CC[NH+](C3CCCCC3)CC2)C1 ZINC000578081155 318236887 /nfs/dbraw/zinc/23/68/87/318236887.db2.gz MZAXGIYITNXJRM-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000578237530 318247647 /nfs/dbraw/zinc/24/76/47/318247647.db2.gz QLOSAGFTQCIPBC-LJQANCHMSA-N 2 1 302.462 2.711 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000578832261 318287453 /nfs/dbraw/zinc/28/74/53/318287453.db2.gz JSXIIOQWNXFGLT-IEWDOMPSSA-N 2 1 300.446 2.664 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000578981622 318299303 /nfs/dbraw/zinc/29/93/03/318299303.db2.gz PSCGQSYIIJUYGS-IPFAQRCESA-N 2 1 302.462 2.756 20 0 DFADMP C[C@H](C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000580128421 318377054 /nfs/dbraw/zinc/37/70/54/318377054.db2.gz GPTXRUKAODRTOH-MRXNPFEDSA-N 2 1 309.473 2.745 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000580211894 318384377 /nfs/dbraw/zinc/38/43/77/318384377.db2.gz OFCNMNUREDUBNO-QZTJIDSGSA-N 2 1 310.457 2.637 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000580211894 318384379 /nfs/dbraw/zinc/38/43/79/318384379.db2.gz OFCNMNUREDUBNO-QZTJIDSGSA-N 2 1 310.457 2.637 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000580211894 318384380 /nfs/dbraw/zinc/38/43/80/318384380.db2.gz OFCNMNUREDUBNO-QZTJIDSGSA-N 2 1 310.457 2.637 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000580211894 318384382 /nfs/dbraw/zinc/38/43/82/318384382.db2.gz OFCNMNUREDUBNO-QZTJIDSGSA-N 2 1 310.457 2.637 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@@H+](C3CC3)C1)O[C@@H](C)C2 ZINC000378911214 323287443 /nfs/dbraw/zinc/28/74/43/323287443.db2.gz IVXVTDBMBJEJRO-KBPBESRZSA-N 2 1 316.445 2.593 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)O[C@@H](C)C2 ZINC000378911214 323287448 /nfs/dbraw/zinc/28/74/48/323287448.db2.gz IVXVTDBMBJEJRO-KBPBESRZSA-N 2 1 316.445 2.593 20 0 DFADMP c1ccc(COC[C@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000384051501 323305436 /nfs/dbraw/zinc/30/54/36/323305436.db2.gz UDQLTAACVRAHAO-MJGOQNOKSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000387494156 323325659 /nfs/dbraw/zinc/32/56/59/323325659.db2.gz AZVXJSLAKOGOIW-RDJZCZTQSA-N 2 1 319.493 2.647 20 0 DFADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000387678992 323327207 /nfs/dbraw/zinc/32/72/07/323327207.db2.gz RTHCJJZURKMOPG-ZNMIVQPWSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000389787632 323337684 /nfs/dbraw/zinc/33/76/84/323337684.db2.gz NBHPZSXGXOVXFL-LULLPPNCSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000389787632 323337685 /nfs/dbraw/zinc/33/76/85/323337685.db2.gz NBHPZSXGXOVXFL-LULLPPNCSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000389849839 323338021 /nfs/dbraw/zinc/33/80/21/323338021.db2.gz UKWYNRNXZZTZJM-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389849839 323338023 /nfs/dbraw/zinc/33/80/23/323338023.db2.gz UKWYNRNXZZTZJM-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389849839 323338027 /nfs/dbraw/zinc/33/80/27/323338027.db2.gz UKWYNRNXZZTZJM-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389849839 323338030 /nfs/dbraw/zinc/33/80/30/323338030.db2.gz UKWYNRNXZZTZJM-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389849839 323338033 /nfs/dbraw/zinc/33/80/33/323338033.db2.gz UKWYNRNXZZTZJM-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000389849841 323338405 /nfs/dbraw/zinc/33/84/05/323338405.db2.gz UKWYNRNXZZTZJM-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389849841 323338410 /nfs/dbraw/zinc/33/84/10/323338410.db2.gz UKWYNRNXZZTZJM-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389849841 323338412 /nfs/dbraw/zinc/33/84/12/323338412.db2.gz UKWYNRNXZZTZJM-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389849841 323338416 /nfs/dbraw/zinc/33/84/16/323338416.db2.gz UKWYNRNXZZTZJM-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389849841 323338418 /nfs/dbraw/zinc/33/84/18/323338418.db2.gz UKWYNRNXZZTZJM-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP CC(C)[C@@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC000396364169 323353467 /nfs/dbraw/zinc/35/34/67/323353467.db2.gz NMJLTADHEDWERJ-SHARSMKWSA-N 2 1 322.415 2.932 20 0 DFADMP COCC[NH2+]C1CC[NH+](CCCOc2cc(C)cc(C)c2)CC1 ZINC000581016126 323464295 /nfs/dbraw/zinc/46/42/95/323464295.db2.gz VIHHGLVVDSQVKE-UHFFFAOYSA-N 2 1 320.477 2.773 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000582130216 323622679 /nfs/dbraw/zinc/62/26/79/323622679.db2.gz VKTHDRPLUDUQHQ-SJORKVTESA-N 2 1 321.371 2.751 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1ccc(Br)cn1 ZINC000157336635 519796372 /nfs/dbraw/zinc/79/63/72/519796372.db2.gz ZUQDOSGXNYAGHQ-ZDUSSCGKSA-N 2 1 300.244 2.649 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Br)cn1 ZINC000157336635 519796373 /nfs/dbraw/zinc/79/63/73/519796373.db2.gz ZUQDOSGXNYAGHQ-ZDUSSCGKSA-N 2 1 300.244 2.649 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cn1 ZINC000367617429 520371838 /nfs/dbraw/zinc/37/18/38/520371838.db2.gz NECVRNCQLGEGHM-GVDBMIGSSA-N 2 1 303.450 2.833 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000365190049 520607146 /nfs/dbraw/zinc/60/71/46/520607146.db2.gz NBXSSMQEOUBSKW-INIZCTEOSA-N 2 1 307.486 2.770 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nncn2C(C)C)C1 ZINC000365190049 520607153 /nfs/dbraw/zinc/60/71/53/520607153.db2.gz NBXSSMQEOUBSKW-INIZCTEOSA-N 2 1 307.486 2.770 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000364983611 521107140 /nfs/dbraw/zinc/10/71/40/521107140.db2.gz RRRLOWGTTIBLFE-MSOLQXFVSA-N 2 1 317.477 2.627 20 0 DFADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366020777 523193003 /nfs/dbraw/zinc/19/30/03/523193003.db2.gz DVSBJNDFFNSZBR-ZDUSSCGKSA-N 2 1 311.389 2.561 20 0 DFADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000366020777 523193012 /nfs/dbraw/zinc/19/30/12/523193012.db2.gz DVSBJNDFFNSZBR-ZDUSSCGKSA-N 2 1 311.389 2.561 20 0 DFADMP C[N@@H+](Cc1csc(-c2ccccn2)n1)CC1CC[NH+](C)CC1 ZINC000154779768 523521100 /nfs/dbraw/zinc/52/11/00/523521100.db2.gz JLBAXVZFXSZABH-UHFFFAOYSA-N 2 1 316.474 2.979 20 0 DFADMP C[N@H+](Cc1csc(-c2ccccn2)n1)CC1CC[NH+](C)CC1 ZINC000154779768 523521106 /nfs/dbraw/zinc/52/11/06/523521106.db2.gz JLBAXVZFXSZABH-UHFFFAOYSA-N 2 1 316.474 2.979 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000367617320 524086992 /nfs/dbraw/zinc/08/69/92/524086992.db2.gz QIKALVPLUXDERH-OAGGEKHMSA-N 2 1 304.434 2.666 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000371205846 524536566 /nfs/dbraw/zinc/53/65/66/524536566.db2.gz VMJJALJREMXLAV-ZWKOTPCHSA-N 2 1 304.482 2.839 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000371205846 524536572 /nfs/dbraw/zinc/53/65/72/524536572.db2.gz VMJJALJREMXLAV-ZWKOTPCHSA-N 2 1 304.482 2.839 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000371205846 524536581 /nfs/dbraw/zinc/53/65/81/524536581.db2.gz VMJJALJREMXLAV-ZWKOTPCHSA-N 2 1 304.482 2.839 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000364188882 524976011 /nfs/dbraw/zinc/97/60/11/524976011.db2.gz HNYNWVYEWWRYML-XWIAVFTESA-N 2 1 322.424 2.510 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000364188882 524976021 /nfs/dbraw/zinc/97/60/21/524976021.db2.gz HNYNWVYEWWRYML-XWIAVFTESA-N 2 1 322.424 2.510 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000365154482 526020037 /nfs/dbraw/zinc/02/00/37/526020037.db2.gz IJABDJTUGCEKMW-SUMWQHHRSA-N 2 1 317.458 2.934 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000365154482 526020047 /nfs/dbraw/zinc/02/00/47/526020047.db2.gz IJABDJTUGCEKMW-SUMWQHHRSA-N 2 1 317.458 2.934 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000358146406 536481561 /nfs/dbraw/zinc/48/15/61/536481561.db2.gz XALXBMHYCJZCDR-KRWDZBQOSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(F)c(-c3cccs3)c2)C1 ZINC000358146406 536481563 /nfs/dbraw/zinc/48/15/63/536481563.db2.gz XALXBMHYCJZCDR-KRWDZBQOSA-N 2 1 320.433 2.710 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CCC[N@H+]([C@@H](C)CO)CC2)c1C ZINC000364987104 527159354 /nfs/dbraw/zinc/15/93/54/527159354.db2.gz UJZSEEMPWMJIQR-AWEZNQCLSA-N 2 1 313.445 2.745 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(N(C)CC[C@@H]2CCCC[N@@H+]2C)n1 ZINC000364864271 527383781 /nfs/dbraw/zinc/38/37/81/527383781.db2.gz FXXSFVIMDDEEFB-INIZCTEOSA-N 2 1 313.449 2.886 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(N(C)CC[C@@H]2CCCC[N@H+]2C)n1 ZINC000364864271 527383787 /nfs/dbraw/zinc/38/37/87/527383787.db2.gz FXXSFVIMDDEEFB-INIZCTEOSA-N 2 1 313.449 2.886 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000293067129 527729936 /nfs/dbraw/zinc/72/99/36/527729936.db2.gz ZJAMPAKLHXHXSK-GOSISDBHSA-N 2 1 305.466 2.637 20 0 DFADMP CC(C)OCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310017778 527965674 /nfs/dbraw/zinc/96/56/74/527965674.db2.gz PFBYBKTZSYKSQF-RTBURBONSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310017778 527965678 /nfs/dbraw/zinc/96/56/78/527965678.db2.gz PFBYBKTZSYKSQF-RTBURBONSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310017778 527965685 /nfs/dbraw/zinc/96/56/85/527965685.db2.gz PFBYBKTZSYKSQF-RTBURBONSA-N 2 1 302.462 2.865 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCN2CCc3ccccc32)C1 ZINC000292531795 528175370 /nfs/dbraw/zinc/17/53/70/528175370.db2.gz PDFMLISUJRUUPI-KRWDZBQOSA-N 2 1 301.478 2.713 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000298159819 528267934 /nfs/dbraw/zinc/26/79/34/528267934.db2.gz SJMKJHCFKNFTDR-KRWDZBQOSA-N 2 1 318.461 2.955 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294997701 528556231 /nfs/dbraw/zinc/55/62/31/528556231.db2.gz IBLCWWLJNOXMLC-LZLYRXPVSA-N 2 1 317.477 2.544 20 0 DFADMP CC(C)[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309747968 528625939 /nfs/dbraw/zinc/62/59/39/528625939.db2.gz YHFAVRGGLYQVLO-IBGZPJMESA-N 2 1 316.489 2.991 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000294920966 529028588 /nfs/dbraw/zinc/02/85/88/529028588.db2.gz BLQVRXMZPXZMRJ-MSOLQXFVSA-N 2 1 302.462 2.922 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000261916247 534929814 /nfs/dbraw/zinc/92/98/14/534929814.db2.gz YWDSOEFGZZTRIL-SJORKVTESA-N 2 1 323.525 2.865 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000262290703 535460579 /nfs/dbraw/zinc/46/05/79/535460579.db2.gz NDJVBWMQDBLFGV-UHFFFAOYSA-N 2 1 300.406 2.558 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000163772288 535612297 /nfs/dbraw/zinc/61/22/97/535612297.db2.gz NACFLYWGMPKBOB-QFBILLFUSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@@H]1C ZINC000163772288 535612302 /nfs/dbraw/zinc/61/23/02/535612302.db2.gz NACFLYWGMPKBOB-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357798202 535819726 /nfs/dbraw/zinc/81/97/26/535819726.db2.gz RFCSKJMOFFVCGJ-QAPCUYQASA-N 2 1 309.498 2.535 20 0 DFADMP CCc1ccc(C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1 ZINC000355654500 536177483 /nfs/dbraw/zinc/17/74/83/536177483.db2.gz LWEALOPUWGDRED-UHFFFAOYSA-N 2 1 311.429 2.975 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)[C@@H]1C ZINC000354643276 536319056 /nfs/dbraw/zinc/31/90/56/536319056.db2.gz FRBOJYNYXQZJOM-NCOADZHNSA-N 2 1 310.482 2.818 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000357910459 536356618 /nfs/dbraw/zinc/35/66/18/536356618.db2.gz VCRJUODPFUWJMS-UHFFFAOYSA-N 2 1 320.477 2.624 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000357910459 536356619 /nfs/dbraw/zinc/35/66/19/536356619.db2.gz VCRJUODPFUWJMS-UHFFFAOYSA-N 2 1 320.477 2.624 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000355602553 536836995 /nfs/dbraw/zinc/83/69/95/536836995.db2.gz VKKGSRIXMUHJAN-GOSISDBHSA-N 2 1 314.433 2.967 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000680933431 545566425 /nfs/dbraw/zinc/56/64/25/545566425.db2.gz XGKWASDHFWSJLQ-BLLLJJGKSA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000680933431 545566427 /nfs/dbraw/zinc/56/64/27/545566427.db2.gz XGKWASDHFWSJLQ-BLLLJJGKSA-N 2 1 302.397 2.646 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000681260687 545619414 /nfs/dbraw/zinc/61/94/14/545619414.db2.gz BTTUNJHILNPJDB-HIFRSBDPSA-N 2 1 306.454 2.522 20 0 DFADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681915066 545752966 /nfs/dbraw/zinc/75/29/66/545752966.db2.gz XXXRDMOLZXMJOR-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681915066 545752968 /nfs/dbraw/zinc/75/29/68/545752968.db2.gz XXXRDMOLZXMJOR-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@@H+](Cc1nc2cc(F)ccc2o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681928563 545754297 /nfs/dbraw/zinc/75/42/97/545754297.db2.gz ZDWUNORKCSGWFR-GFCCVEGCSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](Cc1nc2cc(F)ccc2o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681928563 545754303 /nfs/dbraw/zinc/75/43/03/545754303.db2.gz ZDWUNORKCSGWFR-GFCCVEGCSA-N 2 1 314.364 2.858 20 0 DFADMP COc1ccc(F)cc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681927821 545754782 /nfs/dbraw/zinc/75/47/82/545754782.db2.gz WPCGOFMJXFFFMQ-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(F)cc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681927821 545754786 /nfs/dbraw/zinc/75/47/86/545754786.db2.gz WPCGOFMJXFFFMQ-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP C[C@]1(CO)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000682671325 545893467 /nfs/dbraw/zinc/89/34/67/545893467.db2.gz HRPMEAIPUZGBLQ-LJQANCHMSA-N 2 1 318.461 2.508 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000683471975 546039517 /nfs/dbraw/zinc/03/95/17/546039517.db2.gz BMEBTZCELYYQOO-HNNXBMFYSA-N 2 1 315.417 2.643 20 0 DFADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000683848383 546107946 /nfs/dbraw/zinc/10/79/46/546107946.db2.gz OWLVIJZNBBLWQB-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cn1 ZINC000684557402 546243555 /nfs/dbraw/zinc/24/35/55/546243555.db2.gz ZSUQCNQRCAVGPF-JQWIXIFHSA-N 2 1 321.222 2.706 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000684966704 546310668 /nfs/dbraw/zinc/31/06/68/546310668.db2.gz NAWOBZVLEZCKHP-UHFFFAOYSA-N 3 1 319.493 2.545 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000684966704 546310673 /nfs/dbraw/zinc/31/06/73/546310673.db2.gz NAWOBZVLEZCKHP-UHFFFAOYSA-N 3 1 319.493 2.545 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]CC(C)(C)c2ccccc2)CC1(C)C ZINC000685042680 546322804 /nfs/dbraw/zinc/32/28/04/546322804.db2.gz MBYYBALIFWTAPZ-UHFFFAOYSA-N 2 1 303.494 2.580 20 0 DFADMP C[C@H](Cc1ccsc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457667 546353498 /nfs/dbraw/zinc/35/34/98/546353498.db2.gz ITIZIPHRHDRGDR-QAPCUYQASA-N 2 1 321.534 2.779 20 0 DFADMP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577324 546370208 /nfs/dbraw/zinc/37/02/08/546370208.db2.gz KNMYUPPLGASTNZ-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577324 546370213 /nfs/dbraw/zinc/37/02/13/546370213.db2.gz KNMYUPPLGASTNZ-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP COc1ccccc1C[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278393152 214137384 /nfs/dbraw/zinc/13/73/84/214137384.db2.gz CYGOUUPOTLPZGZ-IRXDYDNUSA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccccc1C[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278393152 214137386 /nfs/dbraw/zinc/13/73/86/214137386.db2.gz CYGOUUPOTLPZGZ-IRXDYDNUSA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1F ZINC000278459493 214167916 /nfs/dbraw/zinc/16/79/16/214167916.db2.gz JAIMOMLZXPOBJS-GJZGRUSLSA-N 2 1 324.440 2.986 20 0 DFADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181265085 199273637 /nfs/dbraw/zinc/27/36/37/199273637.db2.gz BHLZBYUXSIRBET-CABCVRRESA-N 2 1 322.449 2.545 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)OCO2 ZINC000278715486 214347755 /nfs/dbraw/zinc/34/77/55/214347755.db2.gz VTKIMFSKTZGTNG-HUUCEWRRSA-N 2 1 320.433 2.567 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000309691760 231101042 /nfs/dbraw/zinc/10/10/42/231101042.db2.gz JFHATDDJRUTCOO-MOPGFXCFSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@H]([NH2+]CC1CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309714445 231102016 /nfs/dbraw/zinc/10/20/16/231102016.db2.gz LFOUIKSXTPJYFT-LPHOPBHVSA-N 2 1 302.462 2.913 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1F ZINC000278771418 214390309 /nfs/dbraw/zinc/39/03/09/214390309.db2.gz OVEYCZBKGVVRAT-OAHLLOKOSA-N 2 1 324.440 2.815 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000278771418 214390311 /nfs/dbraw/zinc/39/03/11/214390311.db2.gz OVEYCZBKGVVRAT-OAHLLOKOSA-N 2 1 324.440 2.815 20 0 DFADMP CCCCCOc1ccc(C[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000591908857 398350666 /nfs/dbraw/zinc/35/06/66/398350666.db2.gz IGYMAWXRDKRGSQ-UHFFFAOYSA-N 2 1 320.477 2.802 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2cc(-c3ccccc3)cs2)CC1 ZINC000591908837 398350911 /nfs/dbraw/zinc/35/09/11/398350911.db2.gz GMPXDAAFEWZMSH-UHFFFAOYSA-N 2 1 316.470 2.961 20 0 DFADMP CCc1cc(NC2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)nc(C)[nH+]1 ZINC000302123913 529554057 /nfs/dbraw/zinc/55/40/57/529554057.db2.gz YXXLREKOHWTMEA-SJORKVTESA-N 2 1 318.465 2.527 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(N[C@@H](C)C[NH+]2CCCCCC2)n1 ZINC000302403189 282200245 /nfs/dbraw/zinc/20/02/45/282200245.db2.gz LJUMPQSCURNKCV-AWEZNQCLSA-N 2 1 314.437 2.647 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044110 185279457 /nfs/dbraw/zinc/27/94/57/185279457.db2.gz UQBVXXCGUDTLJH-IPYPFGDCSA-N 2 1 318.440 2.573 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090181376 185285510 /nfs/dbraw/zinc/28/55/10/185285510.db2.gz SEZPNLAAUMHNQW-BBRMVZONSA-N 2 1 324.428 2.595 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CC1CCC(F)(F)CC1 ZINC000459374805 299090640 /nfs/dbraw/zinc/09/06/40/299090640.db2.gz YHLRFVXPAHAKET-OAGGEKHMSA-N 2 1 316.436 2.995 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459378853 299091659 /nfs/dbraw/zinc/09/16/59/299091659.db2.gz ROKGKQAJAZYRAR-OAHLLOKOSA-N 2 1 302.466 2.956 20 0 DFADMP Cc1ncsc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587505 185327597 /nfs/dbraw/zinc/32/75/97/185327597.db2.gz KEUVKDGPAXRFSM-OKILXGFUSA-N 2 1 323.506 2.773 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000092738768 185337950 /nfs/dbraw/zinc/33/79/50/185337950.db2.gz NCSHMCFOMKZTHY-OCCSQVGLSA-N 2 1 323.506 2.775 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)s1 ZINC000092738768 185337951 /nfs/dbraw/zinc/33/79/51/185337951.db2.gz NCSHMCFOMKZTHY-OCCSQVGLSA-N 2 1 323.506 2.775 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCn1cccn1 ZINC000092821017 185344014 /nfs/dbraw/zinc/34/40/14/185344014.db2.gz XMFKLPPMWRIOFB-UHFFFAOYSA-N 2 1 313.449 2.517 20 0 DFADMP CCOCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000181490124 199305164 /nfs/dbraw/zinc/30/51/64/199305164.db2.gz YGLZICHCRQVRNV-UHFFFAOYSA-N 2 1 319.493 2.685 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459410990 299100051 /nfs/dbraw/zinc/10/00/51/299100051.db2.gz PSBYNXVDZYQAKI-UHFFFAOYSA-N 2 1 315.505 2.927 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC[N@H+]1C ZINC000181555500 199316839 /nfs/dbraw/zinc/31/68/39/199316839.db2.gz AFKIHRLDPSCWNF-NXHRZFHOSA-N 2 1 304.478 2.861 20 0 DFADMP CC1(c2ccccc2)CC([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C1 ZINC000459416058 299100950 /nfs/dbraw/zinc/10/09/50/299100950.db2.gz SEKMDXZMMLRKGZ-IOJLRTSASA-N 2 1 316.489 2.933 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821700 529811550 /nfs/dbraw/zinc/81/15/50/529811550.db2.gz QBEKSSVIFHHANL-KRWDZBQOSA-N 2 1 310.388 2.858 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821700 529811551 /nfs/dbraw/zinc/81/15/51/529811551.db2.gz QBEKSSVIFHHANL-KRWDZBQOSA-N 2 1 310.388 2.858 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821700 529811552 /nfs/dbraw/zinc/81/15/52/529811552.db2.gz QBEKSSVIFHHANL-KRWDZBQOSA-N 2 1 310.388 2.858 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(OCC(F)F)cc3)C2)C1 ZINC000292821700 529811553 /nfs/dbraw/zinc/81/15/53/529811553.db2.gz QBEKSSVIFHHANL-KRWDZBQOSA-N 2 1 310.388 2.858 20 0 DFADMP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000592379373 398419014 /nfs/dbraw/zinc/41/90/14/398419014.db2.gz MNTKZLDTDJXLBL-FXUDXRNXSA-N 2 1 308.466 2.713 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433595 398425698 /nfs/dbraw/zinc/42/56/98/398425698.db2.gz LIQAUTJDVSTCGJ-CABCVRRESA-N 2 1 320.433 2.586 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000592404424 398422729 /nfs/dbraw/zinc/42/27/29/398422729.db2.gz SNMPQKDRAMCAGY-CAOSSQGBSA-N 2 1 310.482 2.817 20 0 DFADMP O[C@]1(C[NH2+]C2CC3(CCC3)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000459429455 299103875 /nfs/dbraw/zinc/10/38/75/299103875.db2.gz KSYZMEPQFULSNH-IBGZPJMESA-N 2 1 300.446 2.546 20 0 DFADMP O[C@]1(C[NH2+]C2CC3(CCC3)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000459429455 299103878 /nfs/dbraw/zinc/10/38/78/299103878.db2.gz KSYZMEPQFULSNH-IBGZPJMESA-N 2 1 300.446 2.546 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000262602328 398431665 /nfs/dbraw/zinc/43/16/65/398431665.db2.gz ACZUPOUKTQVOAE-KURKYZTESA-N 2 1 323.525 2.783 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@H]1C)C1CC[NH2+]CC1 ZINC000262630126 398432811 /nfs/dbraw/zinc/43/28/11/398432811.db2.gz GXDQLOSBYPEODN-IAGOWNOFSA-N 2 1 323.525 2.783 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000592495651 398433826 /nfs/dbraw/zinc/43/38/26/398433826.db2.gz PIUFVCLFCGKWBB-SFHVURJKSA-N 2 1 310.482 2.677 20 0 DFADMP Cn1cc([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)cn1 ZINC000585750638 398444289 /nfs/dbraw/zinc/44/42/89/398444289.db2.gz OHKCNULWBJVKQS-KRWDZBQOSA-N 2 1 321.428 2.985 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907390 530065461 /nfs/dbraw/zinc/06/54/61/530065461.db2.gz HCGXKACNDSUDJD-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907390 530065462 /nfs/dbraw/zinc/06/54/62/530065462.db2.gz HCGXKACNDSUDJD-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](CCc3ccc4c(c3)CCO4)C2)C1 ZINC000292907390 530065463 /nfs/dbraw/zinc/06/54/63/530065463.db2.gz HCGXKACNDSUDJD-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000586768328 398455954 /nfs/dbraw/zinc/45/59/54/398455954.db2.gz QVSJFYKCYUPIKV-INIZCTEOSA-N 2 1 304.434 2.631 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000586768328 398455958 /nfs/dbraw/zinc/45/59/58/398455958.db2.gz QVSJFYKCYUPIKV-INIZCTEOSA-N 2 1 304.434 2.631 20 0 DFADMP COCc1cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000459460036 299112105 /nfs/dbraw/zinc/11/21/05/299112105.db2.gz IMVGCXXSRXVQHK-KGLIPLIRSA-N 2 1 307.438 2.564 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000459465782 299112884 /nfs/dbraw/zinc/11/28/84/299112884.db2.gz XSULXGHVIUPQAC-CQSZACIVSA-N 2 1 311.433 2.545 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000596655710 398472871 /nfs/dbraw/zinc/47/28/71/398472871.db2.gz XNJXEKBVJOYBJC-LOIAUHFVSA-N 2 1 314.429 2.510 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)oc1C ZINC000292851558 398486578 /nfs/dbraw/zinc/48/65/78/398486578.db2.gz GDMCOEVGNCNUCM-LBPRGKRZSA-N 2 1 319.405 2.963 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)oc1C ZINC000292851558 398486580 /nfs/dbraw/zinc/48/65/80/398486580.db2.gz GDMCOEVGNCNUCM-LBPRGKRZSA-N 2 1 319.405 2.963 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H]([NH+]3CCCC3)[C@H]2C)c1C ZINC000286820186 219181452 /nfs/dbraw/zinc/18/14/52/219181452.db2.gz KIUKQVFBCNZXBR-NVXWUHKLSA-N 2 1 303.450 2.766 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1cccc(C(F)(F)F)c1 ZINC000091334623 398526569 /nfs/dbraw/zinc/52/65/69/398526569.db2.gz DXBHWTRRPVRRIS-GJZGRUSLSA-N 2 1 318.383 2.915 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272646132 210050690 /nfs/dbraw/zinc/05/06/90/210050690.db2.gz JDVCOJVRWJMXKH-RYQLBKOJSA-N 2 1 304.478 2.894 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000589177075 398532158 /nfs/dbraw/zinc/53/21/58/398532158.db2.gz HLAYGYOYHIYZOI-CQSZACIVSA-N 2 1 309.454 2.582 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCC[N@H+]2C2CC2)c1 ZINC000279752188 215114490 /nfs/dbraw/zinc/11/44/90/215114490.db2.gz DBGXQADBMJBJHT-QGZVFWFLSA-N 2 1 301.434 2.622 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272581192 210000138 /nfs/dbraw/zinc/00/01/38/210000138.db2.gz QOXDGPQYVLYHDI-GSEOLPGOSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272581192 210000145 /nfs/dbraw/zinc/00/01/45/210000145.db2.gz QOXDGPQYVLYHDI-GSEOLPGOSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272581192 210000156 /nfs/dbraw/zinc/00/01/56/210000156.db2.gz QOXDGPQYVLYHDI-GSEOLPGOSA-N 3 1 315.505 2.827 20 0 DFADMP COC(=O)c1ccc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000597055938 398556539 /nfs/dbraw/zinc/55/65/39/398556539.db2.gz TZRNDKBKUKPOPV-HNNXBMFYSA-N 2 1 322.424 2.822 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1F ZINC000597055938 398556543 /nfs/dbraw/zinc/55/65/43/398556543.db2.gz TZRNDKBKUKPOPV-HNNXBMFYSA-N 2 1 322.424 2.822 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cc1F ZINC000597055938 398556544 /nfs/dbraw/zinc/55/65/44/398556544.db2.gz TZRNDKBKUKPOPV-HNNXBMFYSA-N 2 1 322.424 2.822 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000279790782 215148706 /nfs/dbraw/zinc/14/87/06/215148706.db2.gz CWAWAZMFMLSZKH-INIZCTEOSA-N 2 1 310.445 2.755 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000279790782 215148711 /nfs/dbraw/zinc/14/87/11/215148711.db2.gz CWAWAZMFMLSZKH-INIZCTEOSA-N 2 1 310.445 2.755 20 0 DFADMP Cc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000322697757 398558344 /nfs/dbraw/zinc/55/83/44/398558344.db2.gz NSPDPYLBTHCFNJ-ARFHVFGLSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)n2)cc1 ZINC000322697757 398558349 /nfs/dbraw/zinc/55/83/49/398558349.db2.gz NSPDPYLBTHCFNJ-ARFHVFGLSA-N 2 1 312.417 2.604 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1F ZINC000597112842 398568073 /nfs/dbraw/zinc/56/80/73/398568073.db2.gz JHZXNNXPDSFVDJ-UHFFFAOYSA-N 2 1 322.424 2.824 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1)O[C@@H](C)C2 ZINC000069752031 398582841 /nfs/dbraw/zinc/58/28/41/398582841.db2.gz DRFWTLBGIWWTIV-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP CSC1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCC1 ZINC000597186110 398584962 /nfs/dbraw/zinc/58/49/62/398584962.db2.gz FJFVUYPTTQUOJF-KRWDZBQOSA-N 2 1 320.502 2.629 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408820 186070194 /nfs/dbraw/zinc/07/01/94/186070194.db2.gz RQEUDFLSYXFNCZ-YOEHRIQHSA-N 2 1 316.445 2.983 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093304609 398629379 /nfs/dbraw/zinc/62/93/79/398629379.db2.gz JQTXGKDHEKMKCQ-INIZCTEOSA-N 2 1 301.434 2.855 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@@H](C)CCO ZINC000093304609 398629382 /nfs/dbraw/zinc/62/93/82/398629382.db2.gz JQTXGKDHEKMKCQ-INIZCTEOSA-N 2 1 301.434 2.855 20 0 DFADMP COc1ccc(OCCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000152493422 186078940 /nfs/dbraw/zinc/07/89/40/186078940.db2.gz AEWCKCUZRREUIM-VKJFTORMSA-N 2 1 306.450 2.782 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000072954190 398650989 /nfs/dbraw/zinc/65/09/89/398650989.db2.gz LUSNMQJJIYHBPQ-CVEARBPZSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C ZINC000072954190 398650992 /nfs/dbraw/zinc/65/09/92/398650992.db2.gz LUSNMQJJIYHBPQ-CVEARBPZSA-N 2 1 320.481 2.776 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268754005 186379868 /nfs/dbraw/zinc/37/98/68/186379868.db2.gz YVZKTEUGQFDVQA-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268754005 186379870 /nfs/dbraw/zinc/37/98/70/186379870.db2.gz YVZKTEUGQFDVQA-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268754005 186379873 /nfs/dbraw/zinc/37/98/73/186379873.db2.gz YVZKTEUGQFDVQA-DFQSSKMNSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1 ZINC000414746919 295819171 /nfs/dbraw/zinc/81/91/71/295819171.db2.gz MGVYGVASHDOHFD-MRXNPFEDSA-N 2 1 321.440 2.850 20 0 DFADMP COc1cc2c(c(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c1)O[C@H](C)C2 ZINC000459731303 299174964 /nfs/dbraw/zinc/17/49/64/299174964.db2.gz LKFMWKKSRHVBLO-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP Cc1csc(N2CCC([NH2+]CC[C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000459732071 299175715 /nfs/dbraw/zinc/17/57/15/299175715.db2.gz MAFSNMNMODHNJR-OAHLLOKOSA-N 2 1 322.522 2.742 20 0 DFADMP C[C@@H]([NH2+]Cc1cnn(Cc2ccc(F)cc2)c1)[C@H]1CCC[NH2+]C1 ZINC000414819598 295821714 /nfs/dbraw/zinc/82/17/14/295821714.db2.gz HYLXOOJYSWJBDD-PBHICJAKSA-N 2 1 316.424 2.548 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000459734304 299176252 /nfs/dbraw/zinc/17/62/52/299176252.db2.gz OKTLQMQYOZWAIA-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414831555 295823700 /nfs/dbraw/zinc/82/37/00/295823700.db2.gz CLUQYRGEVINKOU-CVEARBPZSA-N 2 1 308.466 2.988 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](C)c2ccccc2)CC1 ZINC000172014282 198025572 /nfs/dbraw/zinc/02/55/72/198025572.db2.gz CTAWEMPXJLOKGH-IAGOWNOFSA-N 2 1 304.478 2.815 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414856456 295826768 /nfs/dbraw/zinc/82/67/68/295826768.db2.gz AGZVYYCYNYUSOP-OAHLLOKOSA-N 2 1 301.409 2.921 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000459745833 299180324 /nfs/dbraw/zinc/18/03/24/299180324.db2.gz YMIQJOGPCORDCB-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP COc1ccc(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c(OC(F)F)c1 ZINC000414898094 295832028 /nfs/dbraw/zinc/83/20/28/295832028.db2.gz FYSHKEYPHNHYIZ-MRXNPFEDSA-N 2 1 314.376 2.776 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)C[C@H]1C ZINC000593647341 398665046 /nfs/dbraw/zinc/66/50/46/398665046.db2.gz XPECNBJOPFZKAI-BRWVUGGUSA-N 2 1 312.498 2.922 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c(OC(F)F)c1 ZINC000414961804 295841343 /nfs/dbraw/zinc/84/13/43/295841343.db2.gz ZEFQOFLTVJXAAS-JQWIXIFHSA-N 2 1 300.349 2.527 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000459771022 299188298 /nfs/dbraw/zinc/18/82/98/299188298.db2.gz IBBBVHYYCGECRP-AWEZNQCLSA-N 2 1 321.431 2.725 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786279 398674225 /nfs/dbraw/zinc/67/42/25/398674225.db2.gz LZPZEZLZIONIIP-JKSUJKDBSA-N 2 1 311.514 2.732 20 0 DFADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977621 295843301 /nfs/dbraw/zinc/84/33/01/295843301.db2.gz QOCONQFYYXPOEU-MSOLQXFVSA-N 2 1 323.912 2.790 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000414977522 295843432 /nfs/dbraw/zinc/84/34/32/295843432.db2.gz QDVQOIYMUCVDDU-GUDVDZBRSA-N 2 1 301.478 2.596 20 0 DFADMP Fc1ccc2nc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)sc2c1 ZINC000414997918 295845545 /nfs/dbraw/zinc/84/55/45/295845545.db2.gz IBXPJQUKBNRTAD-SECBINFHSA-N 2 1 315.364 2.770 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415001565 295846209 /nfs/dbraw/zinc/84/62/09/295846209.db2.gz MMYNPAYFXWWFOY-TZMCWYRMSA-N 2 1 300.368 2.981 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC000590810152 398679531 /nfs/dbraw/zinc/67/95/31/398679531.db2.gz FFJHMJJIGPMYPV-QZTJIDSGSA-N 2 1 317.477 2.668 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459784646 299191904 /nfs/dbraw/zinc/19/19/04/299191904.db2.gz ODBBGIIDJQUVCN-HZPDHXFCSA-N 2 1 320.477 2.956 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073477751 398683268 /nfs/dbraw/zinc/68/32/68/398683268.db2.gz OHJRXXWUWNNFIK-OAHLLOKOSA-N 2 1 324.428 2.897 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415067875 295854183 /nfs/dbraw/zinc/85/41/83/295854183.db2.gz LMXAYOHPZGEZBU-UHFFFAOYSA-N 2 1 302.397 2.552 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1csc(Br)c1 ZINC000401715090 398688032 /nfs/dbraw/zinc/68/80/32/398688032.db2.gz ALOSPIXHRBYDOP-UHFFFAOYSA-N 2 1 300.225 2.576 20 0 DFADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1Br ZINC000401795357 398688112 /nfs/dbraw/zinc/68/81/12/398688112.db2.gz JDIAULJBBVLSQK-UHFFFAOYSA-N 2 1 324.222 2.524 20 0 DFADMP C[C@](O)(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000173600719 198231601 /nfs/dbraw/zinc/23/16/01/198231601.db2.gz UZUZANBMSBKTQA-MJGOQNOKSA-N 2 1 302.462 2.702 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000415080297 295855674 /nfs/dbraw/zinc/85/56/74/295855674.db2.gz JFYLPCWNTMAJPS-YPMHNXCESA-N 2 1 310.825 2.731 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000174517288 198344422 /nfs/dbraw/zinc/34/44/22/198344422.db2.gz YVLBLBWOBXKIIA-AEFFLSMTSA-N 3 1 319.493 2.589 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000174517288 198344423 /nfs/dbraw/zinc/34/44/23/198344423.db2.gz YVLBLBWOBXKIIA-AEFFLSMTSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@@H]1C[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000174517288 198344425 /nfs/dbraw/zinc/34/44/25/198344425.db2.gz YVLBLBWOBXKIIA-AEFFLSMTSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@@H]1C[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000174517288 198344426 /nfs/dbraw/zinc/34/44/26/198344426.db2.gz YVLBLBWOBXKIIA-AEFFLSMTSA-N 2 1 319.493 2.589 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236767602 202000250 /nfs/dbraw/zinc/00/02/50/202000250.db2.gz XIDRIGNKGBXTGQ-YJBOKZPZSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[NH+](C3CCCCCC3)C2)CC[N@H+]1C ZINC000377799348 291045426 /nfs/dbraw/zinc/04/54/26/291045426.db2.gz TWMRXZWIKUUCOI-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@@H+](C3CCCCCC3)C2)CC[NH+]1C ZINC000377799348 291045429 /nfs/dbraw/zinc/04/54/29/291045429.db2.gz TWMRXZWIKUUCOI-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CC[N@H+](C3CCCCCC3)C2)CC[NH+]1C ZINC000377799348 291045431 /nfs/dbraw/zinc/04/54/31/291045431.db2.gz TWMRXZWIKUUCOI-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000073418224 191314898 /nfs/dbraw/zinc/31/48/98/191314898.db2.gz HACZJQMFBRIUTP-MRXNPFEDSA-N 2 1 317.477 2.743 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c(C)nn(C)c2OC)CC1 ZINC000134163725 283175643 /nfs/dbraw/zinc/17/56/43/283175643.db2.gz RKQHEYVMADOISA-UHFFFAOYSA-N 2 1 322.497 2.681 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000081568905 192293445 /nfs/dbraw/zinc/29/34/45/192293445.db2.gz HVMAFCJXDGXPAH-MRXNPFEDSA-N 2 1 304.434 2.637 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000081568905 192293448 /nfs/dbraw/zinc/29/34/48/192293448.db2.gz HVMAFCJXDGXPAH-MRXNPFEDSA-N 2 1 304.434 2.637 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000081568905 192293449 /nfs/dbraw/zinc/29/34/49/192293449.db2.gz HVMAFCJXDGXPAH-MRXNPFEDSA-N 2 1 304.434 2.637 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000081568905 192293452 /nfs/dbraw/zinc/29/34/52/192293452.db2.gz HVMAFCJXDGXPAH-MRXNPFEDSA-N 2 1 304.434 2.637 20 0 DFADMP CC[C@@H](C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236985904 202108595 /nfs/dbraw/zinc/10/85/95/202108595.db2.gz KKKDJEPTALZLPI-RHSMWYFYSA-N 2 1 305.466 2.516 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000121213884 398786629 /nfs/dbraw/zinc/78/66/29/398786629.db2.gz TWVQPOLSKWOSBW-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP CN1CCC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000121213884 398786631 /nfs/dbraw/zinc/78/66/31/398786631.db2.gz TWVQPOLSKWOSBW-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000121213884 398786636 /nfs/dbraw/zinc/78/66/36/398786636.db2.gz TWVQPOLSKWOSBW-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@H+]1CCC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000121213884 398786640 /nfs/dbraw/zinc/78/66/40/398786640.db2.gz TWVQPOLSKWOSBW-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000121213884 398786643 /nfs/dbraw/zinc/78/66/43/398786643.db2.gz TWVQPOLSKWOSBW-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000121213884 398786646 /nfs/dbraw/zinc/78/66/46/398786646.db2.gz TWVQPOLSKWOSBW-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000075158597 398788701 /nfs/dbraw/zinc/78/87/01/398788701.db2.gz KRTOHCSSABYZBC-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237067982 202141570 /nfs/dbraw/zinc/14/15/70/202141570.db2.gz WKWUEKVVPAQWSN-GOSISDBHSA-N 2 1 317.477 2.847 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000361272585 283209058 /nfs/dbraw/zinc/20/90/58/283209058.db2.gz QCWPJXOHIDXZDZ-MSOLQXFVSA-N 2 1 323.525 2.974 20 0 DFADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348868 283216359 /nfs/dbraw/zinc/21/63/59/283216359.db2.gz CYFRDXYDHAQKTE-WMZOPIPTSA-N 2 1 323.525 2.876 20 0 DFADMP COc1ccc(OC)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000237236933 202200286 /nfs/dbraw/zinc/20/02/86/202200286.db2.gz LRJKOPDKUNVCCA-CYBMUJFWSA-N 2 1 303.406 2.635 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000138728862 283258233 /nfs/dbraw/zinc/25/82/33/283258233.db2.gz KCECOHMNUZFVJT-SJORKVTESA-N 2 1 300.450 2.772 20 0 DFADMP Cc1nnc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179394028 199027892 /nfs/dbraw/zinc/02/78/92/199027892.db2.gz SRFXSXKVGBEWMQ-UHFFFAOYSA-N 2 1 315.421 2.512 20 0 DFADMP Cc1nnc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)o1 ZINC000179394028 199027894 /nfs/dbraw/zinc/02/78/94/199027894.db2.gz SRFXSXKVGBEWMQ-UHFFFAOYSA-N 2 1 315.421 2.512 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000179469859 199041526 /nfs/dbraw/zinc/04/15/26/199041526.db2.gz JLXODDYBRYHDKL-KRWDZBQOSA-N 2 1 306.425 2.905 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1C ZINC000354571137 291121549 /nfs/dbraw/zinc/12/15/49/291121549.db2.gz LKHLSAAWQKCDCV-XSLAGTTESA-N 2 1 324.509 2.922 20 0 DFADMP CC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)COC1 ZINC000180139395 199122540 /nfs/dbraw/zinc/12/25/40/199122540.db2.gz JAIXPRKSCHMOHJ-AYHJJNSGSA-N 2 1 300.446 2.808 20 0 DFADMP CC(C)CSCCC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000152661485 283333638 /nfs/dbraw/zinc/33/36/38/283333638.db2.gz QKNIOVWUXMWZRR-INIZCTEOSA-N 2 1 316.555 2.790 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000237333963 202234902 /nfs/dbraw/zinc/23/49/02/202234902.db2.gz ZXEHVJCNFPECNR-HOTGVXAUSA-N 2 1 317.477 2.533 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccccc2)[C@H](C)C1 ZINC000153035196 283350078 /nfs/dbraw/zinc/35/00/78/283350078.db2.gz XJWLJQIFVFTGKV-IEBWSBKVSA-N 2 1 304.478 2.956 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000180671467 199194301 /nfs/dbraw/zinc/19/43/01/199194301.db2.gz UALDWIWHOXTTCO-UAGQMJEPSA-N 2 1 304.434 2.753 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000180671467 199194303 /nfs/dbraw/zinc/19/43/03/199194303.db2.gz UALDWIWHOXTTCO-UAGQMJEPSA-N 2 1 304.434 2.753 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000186878326 291146083 /nfs/dbraw/zinc/14/60/83/291146083.db2.gz WXGHQJMIFOEYKC-DBVUQKKJSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186878326 291146084 /nfs/dbraw/zinc/14/60/84/291146084.db2.gz WXGHQJMIFOEYKC-DBVUQKKJSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186878326 291146086 /nfs/dbraw/zinc/14/60/86/291146086.db2.gz WXGHQJMIFOEYKC-DBVUQKKJSA-N 2 1 315.505 2.969 20 0 DFADMP CN(C)c1nc(N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc[nH+]1 ZINC000077217179 398889739 /nfs/dbraw/zinc/88/97/39/398889739.db2.gz WFWBACTZBHAIQM-MRXNPFEDSA-N 2 1 317.481 2.635 20 0 DFADMP Cn1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000077316129 398898408 /nfs/dbraw/zinc/89/84/08/398898408.db2.gz JWFIDLVJXAJPKK-GOSISDBHSA-N 2 1 304.482 2.551 20 0 DFADMP Cn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000077316129 398898410 /nfs/dbraw/zinc/89/84/10/398898410.db2.gz JWFIDLVJXAJPKK-GOSISDBHSA-N 2 1 304.482 2.551 20 0 DFADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000598964305 398898483 /nfs/dbraw/zinc/89/84/83/398898483.db2.gz FEROVTRHIUVMHI-DSEONOSFSA-N 2 1 300.512 2.529 20 0 DFADMP CC[S@](=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000598964305 398898484 /nfs/dbraw/zinc/89/84/84/398898484.db2.gz FEROVTRHIUVMHI-DSEONOSFSA-N 2 1 300.512 2.529 20 0 DFADMP C[S@](=O)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000595068100 398901969 /nfs/dbraw/zinc/90/19/69/398901969.db2.gz ISQZZMICPGCBOY-SXGZJXTBSA-N 2 1 300.512 2.529 20 0 DFADMP CO[C@H](C)C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188109827 200195252 /nfs/dbraw/zinc/19/52/52/200195252.db2.gz NMUYFVYVFBWATI-BVBHFADKSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237714021 202335454 /nfs/dbraw/zinc/33/54/54/202335454.db2.gz OWPLOWZTAXZHRM-IYBDPMFKSA-N 2 1 323.525 2.639 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@@H+](CC)C2CC2)cc1 ZINC000188362904 200234155 /nfs/dbraw/zinc/23/41/55/200234155.db2.gz LDSCUTHRQBGZFI-UHFFFAOYSA-N 2 1 303.450 2.951 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CC[C@H](O)C1 ZINC000188833041 200309588 /nfs/dbraw/zinc/30/95/88/200309588.db2.gz WIUPKZBGEFBZNJ-MSOLQXFVSA-N 2 1 304.478 2.895 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189050911 200341866 /nfs/dbraw/zinc/34/18/66/200341866.db2.gz AWOLQJIMTRHGIY-INIZCTEOSA-N 2 1 316.424 2.502 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189050911 200341867 /nfs/dbraw/zinc/34/18/67/200341867.db2.gz AWOLQJIMTRHGIY-INIZCTEOSA-N 2 1 316.424 2.502 20 0 DFADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306920 296008611 /nfs/dbraw/zinc/00/86/11/296008611.db2.gz GRHFSXGCDIGGFU-SOUVJXGZSA-N 2 1 308.491 2.941 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC000471835193 299309395 /nfs/dbraw/zinc/30/93/95/299309395.db2.gz UTUCBEBWTZCZPY-OALUTQOASA-N 2 1 312.461 2.555 20 0 DFADMP COC(=O)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000599277296 398946695 /nfs/dbraw/zinc/94/66/95/398946695.db2.gz LCYZZKUMJCZUQJ-QGZVFWFLSA-N 2 1 310.482 2.774 20 0 DFADMP COC(=O)CCCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302765 398951650 /nfs/dbraw/zinc/95/16/50/398951650.db2.gz JUDMGLIEGNLWRN-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP COC(=O)CCCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302765 398951651 /nfs/dbraw/zinc/95/16/51/398951651.db2.gz JUDMGLIEGNLWRN-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP COC(=O)CCCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302765 398951652 /nfs/dbraw/zinc/95/16/52/398951652.db2.gz JUDMGLIEGNLWRN-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC2=CC[N@@H+](C)CC2)cc1 ZINC000271892312 209300801 /nfs/dbraw/zinc/30/08/01/209300801.db2.gz ORLORNKMERZAHZ-UHFFFAOYSA-N 2 1 315.461 2.520 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCOC[C@H]2C)CC1 ZINC000192481465 200885604 /nfs/dbraw/zinc/88/56/04/200885604.db2.gz CHMKALKOOKDRSM-APWZRJJASA-N 2 1 302.462 2.974 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882572 209292289 /nfs/dbraw/zinc/29/22/89/209292289.db2.gz VMLKWHQZMUEKPZ-WMLDXEAASA-N 2 1 300.450 2.735 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882572 209292291 /nfs/dbraw/zinc/29/22/91/209292291.db2.gz VMLKWHQZMUEKPZ-WMLDXEAASA-N 2 1 300.450 2.735 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)[C@@H](C)C1 ZINC000271882572 209292295 /nfs/dbraw/zinc/29/22/95/209292295.db2.gz VMLKWHQZMUEKPZ-WMLDXEAASA-N 2 1 300.450 2.735 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000193295709 201023151 /nfs/dbraw/zinc/02/31/51/201023151.db2.gz OWICAWGOLMGCQE-HZPDHXFCSA-N 2 1 317.477 2.662 20 0 DFADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(OC(F)F)c1 ZINC000271868209 209281872 /nfs/dbraw/zinc/28/18/72/209281872.db2.gz WTYXYBRCVYZWRM-UHFFFAOYSA-N 2 1 312.360 2.648 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194904515 201308153 /nfs/dbraw/zinc/30/81/53/201308153.db2.gz YPMWJLDQCMXVIW-RBUKOAKNSA-N 2 1 316.445 2.560 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194904515 201308156 /nfs/dbraw/zinc/30/81/56/201308156.db2.gz YPMWJLDQCMXVIW-RBUKOAKNSA-N 2 1 316.445 2.560 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000166288273 398993581 /nfs/dbraw/zinc/99/35/81/398993581.db2.gz COLHHDDSQRNOBI-UHFFFAOYSA-N 2 1 311.429 2.996 20 0 DFADMP CC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000605026223 398994220 /nfs/dbraw/zinc/99/42/20/398994220.db2.gz HWLCTAWBEJPRGE-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000605026223 398994223 /nfs/dbraw/zinc/99/42/23/398994223.db2.gz HWLCTAWBEJPRGE-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000605026223 398994226 /nfs/dbraw/zinc/99/42/26/398994226.db2.gz HWLCTAWBEJPRGE-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000605026223 398994231 /nfs/dbraw/zinc/99/42/31/398994231.db2.gz HWLCTAWBEJPRGE-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CC[NH+]1CCC(CC[NH2+][C@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195045789 201332439 /nfs/dbraw/zinc/33/24/39/201332439.db2.gz KBNIFVWWUFJDFZ-KRWDZBQOSA-N 2 1 313.449 2.606 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)[C@@H](C)C1 ZINC000417801894 296052528 /nfs/dbraw/zinc/05/25/28/296052528.db2.gz ZVMVFFQDVRYBFZ-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)[C@@H](C)C1 ZINC000417801894 296052529 /nfs/dbraw/zinc/05/25/29/296052529.db2.gz ZVMVFFQDVRYBFZ-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)[C@@H](C)C1 ZINC000417801894 296052531 /nfs/dbraw/zinc/05/25/31/296052531.db2.gz ZVMVFFQDVRYBFZ-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)[C@@H](C)C1 ZINC000417801894 296052532 /nfs/dbraw/zinc/05/25/32/296052532.db2.gz ZVMVFFQDVRYBFZ-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271833230 209253336 /nfs/dbraw/zinc/25/33/36/209253336.db2.gz FEYSDCBWFJMYAB-QGZVFWFLSA-N 2 1 318.461 2.876 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n(C)n1 ZINC000417957107 296066560 /nfs/dbraw/zinc/06/65/60/296066560.db2.gz BGKHZKANQWGGCG-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000091689263 193091743 /nfs/dbraw/zinc/09/17/43/193091743.db2.gz FDLVWZJAQZUIGP-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000091689263 193091744 /nfs/dbraw/zinc/09/17/44/193091744.db2.gz FDLVWZJAQZUIGP-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043035 193145884 /nfs/dbraw/zinc/14/58/84/193145884.db2.gz JOUUPFZZIBRAAP-GDBMZVCRSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)s1 ZINC000092043035 193145886 /nfs/dbraw/zinc/14/58/86/193145886.db2.gz JOUUPFZZIBRAAP-GDBMZVCRSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)s1 ZINC000092043035 193145888 /nfs/dbraw/zinc/14/58/88/193145888.db2.gz JOUUPFZZIBRAAP-GDBMZVCRSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)s1 ZINC000092043035 193145890 /nfs/dbraw/zinc/14/58/90/193145890.db2.gz JOUUPFZZIBRAAP-GDBMZVCRSA-N 2 1 322.522 2.905 20 0 DFADMP COC(=O)[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@H]2CCC[C@H]21 ZINC000599651420 399044925 /nfs/dbraw/zinc/04/49/25/399044925.db2.gz BIGREHMILKXHDT-BBWFWOEESA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@H]2CCC[C@H]21 ZINC000599651420 399044932 /nfs/dbraw/zinc/04/49/32/399044932.db2.gz BIGREHMILKXHDT-BBWFWOEESA-N 2 1 319.449 2.635 20 0 DFADMP CCOc1cncc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000621727656 399051175 /nfs/dbraw/zinc/05/11/75/399051175.db2.gz LOUCZVWNOMPRCT-QGZVFWFLSA-N 2 1 303.450 2.644 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@H]12 ZINC000595729366 399058840 /nfs/dbraw/zinc/05/88/40/399058840.db2.gz DWEOUFNZCJOPOC-KURKYZTESA-N 2 1 322.493 2.916 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CC2(F)F)[C@H](C)C1 ZINC000621768372 399073103 /nfs/dbraw/zinc/07/31/03/399073103.db2.gz OBHKAPYVHCIIDN-ILXRZTDVSA-N 2 1 304.425 2.758 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cncc(Cl)c2)C1 ZINC000621776828 399075648 /nfs/dbraw/zinc/07/56/48/399075648.db2.gz XJJDUJKXRJQQDJ-OWCLPIDISA-N 2 1 309.841 2.596 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@@H](C)C[NH+]3CCCC3)c(C)nc2s1 ZINC000058065108 399075831 /nfs/dbraw/zinc/07/58/31/399075831.db2.gz JABKVRWKXGYJLT-GFCCVEGCSA-N 2 1 306.479 2.834 20 0 DFADMP Cn1cnc2cc(C[N@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc21 ZINC000271757496 209187253 /nfs/dbraw/zinc/18/72/53/209187253.db2.gz DBBKKXFXSFMFRW-INIZCTEOSA-N 2 1 300.450 2.880 20 0 DFADMP Cn1cnc2cc(C[N@@H+](C)CC[C@@H]3CCCC[NH+]3C)ccc21 ZINC000271757496 209187255 /nfs/dbraw/zinc/18/72/55/209187255.db2.gz DBBKKXFXSFMFRW-INIZCTEOSA-N 2 1 300.450 2.880 20 0 DFADMP Cn1cnc2cc(C[NH+](C)CC[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000271757496 209187259 /nfs/dbraw/zinc/18/72/59/209187259.db2.gz DBBKKXFXSFMFRW-INIZCTEOSA-N 2 1 300.450 2.880 20 0 DFADMP Cn1cnc2cc(C[NH+](C)CC[C@@H]3CCCC[N@H+]3C)ccc21 ZINC000271757496 209187263 /nfs/dbraw/zinc/18/72/63/209187263.db2.gz DBBKKXFXSFMFRW-INIZCTEOSA-N 2 1 300.450 2.880 20 0 DFADMP C[C@@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000292923166 284010944 /nfs/dbraw/zinc/01/09/44/284010944.db2.gz GHPHWIKXLWHCPZ-XLIONFOSSA-N 2 1 316.489 2.834 20 0 DFADMP c1ccc2c(c1)OC[C@@H](C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)O2 ZINC000606540208 399086040 /nfs/dbraw/zinc/08/60/40/399086040.db2.gz BTIVBFQGRSJMMD-IAGOWNOFSA-N 2 1 316.445 2.777 20 0 DFADMP c1ccc2c(c1)OC[C@@H](C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)O2 ZINC000606540208 399086049 /nfs/dbraw/zinc/08/60/49/399086049.db2.gz BTIVBFQGRSJMMD-IAGOWNOFSA-N 2 1 316.445 2.777 20 0 DFADMP CC[C@@H](C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000419218957 296128460 /nfs/dbraw/zinc/12/84/60/296128460.db2.gz SIGDXRYYBBXIHQ-JZXOWHBKSA-N 2 1 312.498 2.623 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000261715557 203099405 /nfs/dbraw/zinc/09/94/05/203099405.db2.gz MVJUXCPAHFLLTF-RHSMWYFYSA-N 2 1 301.434 2.752 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2C1 ZINC000261799176 203119723 /nfs/dbraw/zinc/11/97/23/203119723.db2.gz KXVDQDRSZFUNTF-CQSZACIVSA-N 2 1 301.434 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@@H]3CC[NH2+]C3)c2C1 ZINC000261799176 203119727 /nfs/dbraw/zinc/11/97/27/203119727.db2.gz KXVDQDRSZFUNTF-CQSZACIVSA-N 2 1 301.434 2.740 20 0 DFADMP Cc1ncc(C[N@@H+](C)CC2CC[NH+](C)CC2)n1-c1ccccc1 ZINC000093088966 193201823 /nfs/dbraw/zinc/20/18/23/193201823.db2.gz MHTBMLVMLYIPOG-UHFFFAOYSA-N 2 1 312.461 2.954 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC3CCC(C)(C)CC3)C2)CC1 ZINC000093133008 193205048 /nfs/dbraw/zinc/20/50/48/193205048.db2.gz NKQKHRXGWYRWHT-GOSISDBHSA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3coc4ccccc34)C2)CC1 ZINC000093132795 193205262 /nfs/dbraw/zinc/20/52/62/193205262.db2.gz VTHVFTNYVIQMIA-KRWDZBQOSA-N 2 1 313.445 2.645 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000262099506 203198177 /nfs/dbraw/zinc/19/81/77/203198177.db2.gz ZEABPLVSIGIZLD-RHSMWYFYSA-N 2 1 301.434 2.609 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262165845 203215677 /nfs/dbraw/zinc/21/56/77/203215677.db2.gz WCZYGMDGVACBEH-WMLDXEAASA-N 2 1 303.450 2.984 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000262314645 203258484 /nfs/dbraw/zinc/25/84/84/203258484.db2.gz OYPWABQDLYZQDG-GOEBONIOSA-N 2 1 311.857 2.576 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2C1 ZINC000262350923 203270826 /nfs/dbraw/zinc/27/08/26/203270826.db2.gz IRGMZICRJMUDGU-KBPBESRZSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H](C)C3)c2C1 ZINC000262350923 203270828 /nfs/dbraw/zinc/27/08/28/203270828.db2.gz IRGMZICRJMUDGU-KBPBESRZSA-N 2 1 301.434 2.739 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340200976 284160250 /nfs/dbraw/zinc/16/02/50/284160250.db2.gz HGAHRNKVXYBBRJ-HUUCEWRRSA-N 2 1 316.367 2.990 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340200976 284160254 /nfs/dbraw/zinc/16/02/54/284160254.db2.gz HGAHRNKVXYBBRJ-HUUCEWRRSA-N 2 1 316.367 2.990 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000093639351 193279707 /nfs/dbraw/zinc/27/97/07/193279707.db2.gz IXMQCTMKAMJYCT-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000093639351 193279710 /nfs/dbraw/zinc/27/97/10/193279710.db2.gz IXMQCTMKAMJYCT-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000093639351 193279712 /nfs/dbraw/zinc/27/97/12/193279712.db2.gz IXMQCTMKAMJYCT-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000093639056 193279834 /nfs/dbraw/zinc/27/98/34/193279834.db2.gz XSNPASFQBZFCND-RDTXWAMCSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000093639056 193279836 /nfs/dbraw/zinc/27/98/36/193279836.db2.gz XSNPASFQBZFCND-RDTXWAMCSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000093639056 193279838 /nfs/dbraw/zinc/27/98/38/193279838.db2.gz XSNPASFQBZFCND-RDTXWAMCSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)[C@H](C)C1 ZINC000093639056 193279842 /nfs/dbraw/zinc/27/98/42/193279842.db2.gz XSNPASFQBZFCND-RDTXWAMCSA-N 2 1 306.450 2.866 20 0 DFADMP COCCOc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604505 193272364 /nfs/dbraw/zinc/27/23/64/193272364.db2.gz OSOLGHNKJZSTQF-GOSISDBHSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604505 193272365 /nfs/dbraw/zinc/27/23/65/193272365.db2.gz OSOLGHNKJZSTQF-GOSISDBHSA-N 2 1 318.461 2.630 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597447 193272468 /nfs/dbraw/zinc/27/24/68/193272468.db2.gz NIIORLWXSPTAGL-KRWDZBQOSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093597447 193272470 /nfs/dbraw/zinc/27/24/70/193272470.db2.gz NIIORLWXSPTAGL-KRWDZBQOSA-N 2 1 301.434 2.563 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)[C@H](C)C1 ZINC000093638582 193278352 /nfs/dbraw/zinc/27/83/52/193278352.db2.gz LISZQOZXEPAPNJ-HIFRSBDPSA-N 2 1 320.433 2.586 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)[C@H](C)C1 ZINC000093638582 193278354 /nfs/dbraw/zinc/27/83/54/193278354.db2.gz LISZQOZXEPAPNJ-HIFRSBDPSA-N 2 1 320.433 2.586 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)[C@H](C)C1 ZINC000093638582 193278355 /nfs/dbraw/zinc/27/83/55/193278355.db2.gz LISZQOZXEPAPNJ-HIFRSBDPSA-N 2 1 320.433 2.586 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)[C@H](C)C1 ZINC000093638582 193278357 /nfs/dbraw/zinc/27/83/57/193278357.db2.gz LISZQOZXEPAPNJ-HIFRSBDPSA-N 2 1 320.433 2.586 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000093639858 193279106 /nfs/dbraw/zinc/27/91/06/193279106.db2.gz GTAOINMFGYKGHH-KBXCAEBGSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000093639858 193279108 /nfs/dbraw/zinc/27/91/08/193279108.db2.gz GTAOINMFGYKGHH-KBXCAEBGSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000093639858 193279110 /nfs/dbraw/zinc/27/91/10/193279110.db2.gz GTAOINMFGYKGHH-KBXCAEBGSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000093639858 193279112 /nfs/dbraw/zinc/27/91/12/193279112.db2.gz GTAOINMFGYKGHH-KBXCAEBGSA-N 2 1 306.498 2.707 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093693679 193291049 /nfs/dbraw/zinc/29/10/49/193291049.db2.gz OTOGPIYHRLHQSB-OAHLLOKOSA-N 2 1 313.449 2.635 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccnc2)C1 ZINC000093693679 193291050 /nfs/dbraw/zinc/29/10/50/193291050.db2.gz OTOGPIYHRLHQSB-OAHLLOKOSA-N 2 1 313.449 2.635 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(O)c2)CC1 ZINC000093769461 193303295 /nfs/dbraw/zinc/30/32/95/193303295.db2.gz KVDLJPFDVMDIJJ-UHFFFAOYSA-N 2 1 320.477 2.963 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-n2cncn2)cc1 ZINC000093660153 193285469 /nfs/dbraw/zinc/28/54/69/193285469.db2.gz CAALWVJBPFGKJH-QGZVFWFLSA-N 2 1 313.449 2.574 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc(-n2cncn2)cc1 ZINC000093660153 193285471 /nfs/dbraw/zinc/28/54/71/193285471.db2.gz CAALWVJBPFGKJH-QGZVFWFLSA-N 2 1 313.449 2.574 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc(-n2cncn2)cc1 ZINC000093660153 193285473 /nfs/dbraw/zinc/28/54/73/193285473.db2.gz CAALWVJBPFGKJH-QGZVFWFLSA-N 2 1 313.449 2.574 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc(-n2cncn2)cc1 ZINC000093660153 193285474 /nfs/dbraw/zinc/28/54/74/193285474.db2.gz CAALWVJBPFGKJH-QGZVFWFLSA-N 2 1 313.449 2.574 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000094070584 193343327 /nfs/dbraw/zinc/34/33/27/193343327.db2.gz QQUHMTKONXMHBQ-UHFFFAOYSA-N 2 1 300.805 2.809 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000340530707 284189439 /nfs/dbraw/zinc/18/94/39/284189439.db2.gz GDQIDPGKYVXMJO-WBAXXEDZSA-N 2 1 321.534 2.941 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H](Cn2cccn2)C(C)C)C1 ZINC000340523626 284188046 /nfs/dbraw/zinc/18/80/46/284188046.db2.gz GZPQPGFFXVLUCS-ROUUACIJSA-N 2 1 306.498 2.865 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)nn1C ZINC000282453132 217006280 /nfs/dbraw/zinc/00/62/80/217006280.db2.gz ZYDAKEHSPMUKPS-OAHLLOKOSA-N 2 1 316.449 2.520 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3ccc(Br)cc32)CC[NH2+]1 ZINC000420207692 296162486 /nfs/dbraw/zinc/16/24/86/296162486.db2.gz QOMXWBSBUCPHII-JTQLQIEISA-N 2 1 306.207 2.795 20 0 DFADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000600117662 399142487 /nfs/dbraw/zinc/14/24/87/399142487.db2.gz MIYAEQHXBQLHRS-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H]1[C@H]([NH3+])CCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000420247211 296165297 /nfs/dbraw/zinc/16/52/97/296165297.db2.gz GRPQUTXYJYGVOS-JOYOIKCWSA-N 2 1 306.207 2.923 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@@H]1[NH3+] ZINC000420271218 296167975 /nfs/dbraw/zinc/16/79/75/296167975.db2.gz HHCJDXINWZEWEU-SKDRFNHKSA-N 2 1 306.207 2.781 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H]1CN ZINC000420290406 296169997 /nfs/dbraw/zinc/16/99/97/296169997.db2.gz LYVQWPZWFQWGBT-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000420290406 296169998 /nfs/dbraw/zinc/16/99/98/296169998.db2.gz LYVQWPZWFQWGBT-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H]1C[NH3+] ZINC000420290406 296169999 /nfs/dbraw/zinc/16/99/99/296169999.db2.gz LYVQWPZWFQWGBT-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP CC(C)=CCC[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000341515050 284267662 /nfs/dbraw/zinc/26/76/62/284267662.db2.gz SXTUDQWVELXQTK-INIZCTEOSA-N 2 1 309.498 2.654 20 0 DFADMP C[C@H]1[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299287 296171244 /nfs/dbraw/zinc/17/12/44/296171244.db2.gz IRJOCBSCDZRXSB-FIRPJDEBSA-N 2 1 324.468 2.795 20 0 DFADMP Cc1cccc([C@@H]2CCCCC[N@H+]2CCN2CC[NH2+]CC2)c1 ZINC000420296126 296170941 /nfs/dbraw/zinc/17/09/41/296170941.db2.gz DDERZMFEDCGNLI-IBGZPJMESA-N 2 1 301.478 2.817 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]12 ZINC000420299327 296171173 /nfs/dbraw/zinc/17/11/73/296171173.db2.gz ASNWZFVFUGTVEV-DFQSSKMNSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]12 ZINC000420299327 296171174 /nfs/dbraw/zinc/17/11/74/296171174.db2.gz ASNWZFVFUGTVEV-DFQSSKMNSA-N 2 1 323.440 2.830 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)C1(C)C ZINC000420302539 296171723 /nfs/dbraw/zinc/17/17/23/296171723.db2.gz MNCIJHQXCUNIQH-CGTJXYLNSA-N 2 1 320.477 2.873 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)CCc2nc3ccccc3n2C)CC1 ZINC000265031321 204354611 /nfs/dbraw/zinc/35/46/11/204354611.db2.gz GDQAVJIYBJMRAM-UHFFFAOYSA-N 2 1 314.477 2.920 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2nc3ccccc3n2C)CC1 ZINC000265031321 204354615 /nfs/dbraw/zinc/35/46/15/204354615.db2.gz GDQAVJIYBJMRAM-UHFFFAOYSA-N 2 1 314.477 2.920 20 0 DFADMP c1nn(-c2ccccc2)c2c1C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000420303892 296172065 /nfs/dbraw/zinc/17/20/65/296172065.db2.gz NWAVJGNBVFBDAL-INIZCTEOSA-N 2 1 310.445 2.620 20 0 DFADMP C[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304954 296172228 /nfs/dbraw/zinc/17/22/28/296172228.db2.gz PADWFBDTUXHBEX-YSSFQJQWSA-N 2 1 310.441 2.537 20 0 DFADMP Brc1cccc2c1CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000420303461 296172042 /nfs/dbraw/zinc/17/20/42/296172042.db2.gz NLKHDGOGHRSRTG-LBPRGKRZSA-N 2 1 309.251 2.807 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420303438 296172049 /nfs/dbraw/zinc/17/20/49/296172049.db2.gz KIFOPNQBYTTWIY-GOEBONIOSA-N 2 1 304.434 2.840 20 0 DFADMP OCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420306583 296172450 /nfs/dbraw/zinc/17/24/50/296172450.db2.gz QLIBSLBCGLXTLK-APWZRJJASA-N 2 1 302.462 2.748 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420307361 296172477 /nfs/dbraw/zinc/17/24/77/296172477.db2.gz LZIQPRYVXVBUBD-LAQRGFTBSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000420307361 296172478 /nfs/dbraw/zinc/17/24/78/296172478.db2.gz LZIQPRYVXVBUBD-LAQRGFTBSA-N 2 1 315.461 2.690 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H]1CCCN(c2ccccc2)C1=O ZINC000420306656 296172603 /nfs/dbraw/zinc/17/26/03/296172603.db2.gz QUJCVHRCIQIOBC-AEFFLSMTSA-N 2 1 315.461 2.504 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000420313482 296173706 /nfs/dbraw/zinc/17/37/06/296173706.db2.gz UCEFFYLGBFHJGJ-DETPVDSQSA-N 2 1 312.816 2.917 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420319696 296174485 /nfs/dbraw/zinc/17/44/85/296174485.db2.gz RYIBVRATRKVTNG-HKUYNNGSSA-N 2 1 301.478 2.585 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420319696 296174487 /nfs/dbraw/zinc/17/44/87/296174487.db2.gz RYIBVRATRKVTNG-HKUYNNGSSA-N 2 1 301.478 2.585 20 0 DFADMP CCc1ccc([C@H]2CNCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420319703 296174512 /nfs/dbraw/zinc/17/45/12/296174512.db2.gz RYIBVRATRKVTNG-PKOBYXMFSA-N 2 1 301.478 2.585 20 0 DFADMP CCc1ccc([C@H]2CNCC[N@H+]2CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000420319703 296174513 /nfs/dbraw/zinc/17/45/13/296174513.db2.gz RYIBVRATRKVTNG-PKOBYXMFSA-N 2 1 301.478 2.585 20 0 DFADMP CCn1ccnc1C[N@@H+](CCCCCF)[C@@H]1CC12CC[NH2+]CC2 ZINC000420320600 296174560 /nfs/dbraw/zinc/17/45/60/296174560.db2.gz YTCAPJLNQNZEOV-MRXNPFEDSA-N 2 1 322.472 2.987 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420319701 296174618 /nfs/dbraw/zinc/17/46/18/296174618.db2.gz RYIBVRATRKVTNG-MJGOQNOKSA-N 2 1 301.478 2.585 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420319701 296174620 /nfs/dbraw/zinc/17/46/20/296174620.db2.gz RYIBVRATRKVTNG-MJGOQNOKSA-N 2 1 301.478 2.585 20 0 DFADMP CCOC(=O)CC[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000420316442 296174203 /nfs/dbraw/zinc/17/42/03/296174203.db2.gz SSARTGVVZBKBNS-HNNXBMFYSA-N 2 1 322.474 2.645 20 0 DFADMP COC(=O)c1ccccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000420323492 296175102 /nfs/dbraw/zinc/17/51/02/296175102.db2.gz YEFPTIFJNICREK-MJGOQNOKSA-N 2 1 324.424 2.648 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c1C ZINC000420324975 296175124 /nfs/dbraw/zinc/17/51/24/296175124.db2.gz VWIYSOALLMTFON-INIZCTEOSA-N 2 1 303.450 2.563 20 0 DFADMP CSc1ccccc1C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420327165 296175548 /nfs/dbraw/zinc/17/55/48/296175548.db2.gz KUNJTINVGIEVEE-HNNXBMFYSA-N 2 1 306.475 2.596 20 0 DFADMP COc1ccc(Cl)c(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420330063 296176261 /nfs/dbraw/zinc/17/62/61/296176261.db2.gz PJKPZFUIBVPMAA-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(Cl)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420330063 296176262 /nfs/dbraw/zinc/17/62/62/296176262.db2.gz PJKPZFUIBVPMAA-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325473 296175828 /nfs/dbraw/zinc/17/58/28/296175828.db2.gz WQAGGSSLNFOEDK-GUDVDZBRSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325473 296175829 /nfs/dbraw/zinc/17/58/29/296175829.db2.gz WQAGGSSLNFOEDK-GUDVDZBRSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420325473 296175830 /nfs/dbraw/zinc/17/58/30/296175830.db2.gz WQAGGSSLNFOEDK-GUDVDZBRSA-N 3 1 307.526 2.963 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339036 296177389 /nfs/dbraw/zinc/17/73/89/296177389.db2.gz LOJRAVKFPJEMQI-DLBZAZTESA-N 2 1 315.461 2.563 20 0 DFADMP Fc1ccc(OCCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420334980 296176783 /nfs/dbraw/zinc/17/67/83/296176783.db2.gz GZRSGOBVGDKABW-HOTGVXAUSA-N 2 1 306.425 2.916 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420345000 296178030 /nfs/dbraw/zinc/17/80/30/296178030.db2.gz VNDLXYICJIOXAO-IAGOWNOFSA-N 2 1 318.461 2.786 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C[C@@H](O)C[NH3+] ZINC000420350521 296178328 /nfs/dbraw/zinc/17/83/28/296178328.db2.gz HEUFWZIEKOQUKP-ZDUSSCGKSA-N 2 1 322.355 2.509 20 0 DFADMP C[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C[C@@H](O)C[NH3+] ZINC000420350521 296178330 /nfs/dbraw/zinc/17/83/30/296178330.db2.gz HEUFWZIEKOQUKP-ZDUSSCGKSA-N 2 1 322.355 2.509 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)cs1 ZINC000420346870 296178451 /nfs/dbraw/zinc/17/84/51/296178451.db2.gz ZHVJFQHYZPVGSZ-OLZOCXBDSA-N 2 1 318.446 2.620 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@H](C[NH3+])C(C)(C)C)cc2)n1 ZINC000420359323 296179583 /nfs/dbraw/zinc/17/95/83/296179583.db2.gz JUCRDPZCVNFGGU-QGZVFWFLSA-N 2 1 300.450 2.952 20 0 DFADMP C[NH2+]CCC[N@@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000420365021 296180640 /nfs/dbraw/zinc/18/06/40/296180640.db2.gz RRNUWTCDHYGABE-JTQLQIEISA-N 2 1 307.385 2.951 20 0 DFADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(C(F)(F)F)cs2)C1 ZINC000420365021 296180641 /nfs/dbraw/zinc/18/06/41/296180641.db2.gz RRNUWTCDHYGABE-JTQLQIEISA-N 2 1 307.385 2.951 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCO1 ZINC000282569081 217096079 /nfs/dbraw/zinc/09/60/79/217096079.db2.gz VAEGTJZYEFBYNK-KRWDZBQOSA-N 2 1 318.461 2.640 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1OCCO1 ZINC000282569081 217096080 /nfs/dbraw/zinc/09/60/80/217096080.db2.gz VAEGTJZYEFBYNK-KRWDZBQOSA-N 2 1 318.461 2.640 20 0 DFADMP CC[C@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CCC[NH2+]C ZINC000420377210 296182680 /nfs/dbraw/zinc/18/26/80/296182680.db2.gz RYTCHODLCFFOFW-LPHOPBHVSA-N 2 1 318.509 2.532 20 0 DFADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC[NH2+]C ZINC000420377210 296182682 /nfs/dbraw/zinc/18/26/82/296182682.db2.gz RYTCHODLCFFOFW-LPHOPBHVSA-N 2 1 318.509 2.532 20 0 DFADMP CC[C@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC[NH2+]C ZINC000420377210 296182683 /nfs/dbraw/zinc/18/26/83/296182683.db2.gz RYTCHODLCFFOFW-LPHOPBHVSA-N 2 1 318.509 2.532 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH2+][C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420376149 296182724 /nfs/dbraw/zinc/18/27/24/296182724.db2.gz UTQCZRGWGLLXIO-OGHNNQOOSA-N 2 1 321.490 2.713 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420376100 296182875 /nfs/dbraw/zinc/18/28/75/296182875.db2.gz AGGDBFIGRMRKOI-RDJZCZTQSA-N 2 1 303.450 2.671 20 0 DFADMP COc1c(C)cnc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420376100 296182877 /nfs/dbraw/zinc/18/28/77/296182877.db2.gz AGGDBFIGRMRKOI-RDJZCZTQSA-N 2 1 303.450 2.671 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420376100 296182879 /nfs/dbraw/zinc/18/28/79/296182879.db2.gz AGGDBFIGRMRKOI-RDJZCZTQSA-N 2 1 303.450 2.671 20 0 DFADMP COC(=O)C1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000448524339 297341110 /nfs/dbraw/zinc/34/11/10/297341110.db2.gz HBLYNDAJHYVRQE-JKSUJKDBSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)C1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000448524339 297341111 /nfs/dbraw/zinc/34/11/11/297341111.db2.gz HBLYNDAJHYVRQE-JKSUJKDBSA-N 2 1 308.466 2.526 20 0 DFADMP CCCc1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000420380068 296183371 /nfs/dbraw/zinc/18/33/71/296183371.db2.gz BQMQLRGGPATVED-HOCLYGCPSA-N 2 1 323.506 2.814 20 0 DFADMP COC(=O)C1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000448524339 297341113 /nfs/dbraw/zinc/34/11/13/297341113.db2.gz HBLYNDAJHYVRQE-JKSUJKDBSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342089648 284323999 /nfs/dbraw/zinc/32/39/99/284323999.db2.gz AXMAPYFQBPILFZ-KOZAUXTDSA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342089648 284324004 /nfs/dbraw/zinc/32/40/04/284324004.db2.gz AXMAPYFQBPILFZ-KOZAUXTDSA-N 2 1 321.852 2.726 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420387780 296184345 /nfs/dbraw/zinc/18/43/45/296184345.db2.gz GOBPZPHVHVQECI-CVEARBPZSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]1CC[N@@H+](CCCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000420385237 296184439 /nfs/dbraw/zinc/18/44/39/296184439.db2.gz SPSRTVKPQJXXFF-ZBFHGGJFSA-N 2 1 314.433 2.586 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407407 296187125 /nfs/dbraw/zinc/18/71/25/296187125.db2.gz VFPCABPDWMQDLC-MSOLQXFVSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420407407 296187127 /nfs/dbraw/zinc/18/71/27/296187127.db2.gz VFPCABPDWMQDLC-MSOLQXFVSA-N 2 1 323.525 2.591 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+](C)C[C@@H]3CC[NH+](C)C3)s2)cn1 ZINC000282756643 217228500 /nfs/dbraw/zinc/22/85/00/217228500.db2.gz HREPIGPKUZNOJQ-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C)C[C@@H]3CC[NH+](C)C3)s2)cn1 ZINC000282756643 217228501 /nfs/dbraw/zinc/22/85/01/217228501.db2.gz HREPIGPKUZNOJQ-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(-c2ccc(C[NH+](C)C[C@@H]3CC[N@H+](C)C3)s2)cn1 ZINC000282756643 217228503 /nfs/dbraw/zinc/22/85/03/217228503.db2.gz HREPIGPKUZNOJQ-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(-c2ccc(C[NH+](C)C[C@@H]3CC[N@@H+](C)C3)s2)cn1 ZINC000282756643 217228504 /nfs/dbraw/zinc/22/85/04/217228504.db2.gz HREPIGPKUZNOJQ-CYBMUJFWSA-N 2 1 304.463 2.532 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1sccc1C[NH+](C)C ZINC000288314843 220079226 /nfs/dbraw/zinc/07/92/26/220079226.db2.gz IREIMQBKSNPSBN-HIFRSBDPSA-N 2 1 321.490 2.509 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000614255117 399189993 /nfs/dbraw/zinc/18/99/93/399189993.db2.gz OGTCPKFEZFQKRS-CQSZACIVSA-N 2 1 310.401 2.527 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000600996964 399198787 /nfs/dbraw/zinc/19/87/87/399198787.db2.gz OKDSUEBXAPCFOQ-NVXWUHKLSA-N 2 1 317.477 2.716 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000342601038 284377173 /nfs/dbraw/zinc/37/71/73/284377173.db2.gz UFGROBZLVCMQCW-QAPCUYQASA-N 2 1 306.450 2.583 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000342601038 284377174 /nfs/dbraw/zinc/37/71/74/284377174.db2.gz UFGROBZLVCMQCW-QAPCUYQASA-N 2 1 306.450 2.583 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C1CCN(C)CC1 ZINC000017314093 182083062 /nfs/dbraw/zinc/08/30/62/182083062.db2.gz ZYHLGKZVYYBOMG-UHFFFAOYSA-N 2 1 316.424 2.812 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000622172512 399213546 /nfs/dbraw/zinc/21/35/46/399213546.db2.gz NRJKVPBFQALRNM-IRXDYDNUSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000622172512 399213548 /nfs/dbraw/zinc/21/35/48/399213548.db2.gz NRJKVPBFQALRNM-IRXDYDNUSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000622172512 399213551 /nfs/dbraw/zinc/21/35/51/399213551.db2.gz NRJKVPBFQALRNM-IRXDYDNUSA-N 2 1 321.509 2.774 20 0 DFADMP COCCSCCC[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000618746082 399227927 /nfs/dbraw/zinc/22/79/27/399227927.db2.gz AIPGOBHLKJTKLB-UHFFFAOYSA-N 2 1 302.528 2.808 20 0 DFADMP COCc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000608057188 399228758 /nfs/dbraw/zinc/22/87/58/399228758.db2.gz YTMHBNMGVVFPAK-IBGZPJMESA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000420922370 296212521 /nfs/dbraw/zinc/21/25/21/296212521.db2.gz FOWUQVUTJHSBRN-OWCLPIDISA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000420922370 296212523 /nfs/dbraw/zinc/21/25/23/296212523.db2.gz FOWUQVUTJHSBRN-OWCLPIDISA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1[C@H](C(=O)OC(C)(C)C)CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000420922370 296212524 /nfs/dbraw/zinc/21/25/24/296212524.db2.gz FOWUQVUTJHSBRN-OWCLPIDISA-N 2 1 310.482 2.913 20 0 DFADMP Cn1cc(Cl)c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000420933979 296214248 /nfs/dbraw/zinc/21/42/48/296214248.db2.gz JHNYCFLDLWLUPF-BLLLJJGKSA-N 2 1 308.857 2.522 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000267447228 206073145 /nfs/dbraw/zinc/07/31/45/206073145.db2.gz KMBCZUNKVIWJBF-NVXWUHKLSA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000267447228 206073150 /nfs/dbraw/zinc/07/31/50/206073150.db2.gz KMBCZUNKVIWJBF-NVXWUHKLSA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000267447228 206073153 /nfs/dbraw/zinc/07/31/53/206073153.db2.gz KMBCZUNKVIWJBF-NVXWUHKLSA-N 2 1 314.477 2.778 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(CN3CCOCC3)cc2)C1 ZINC000420964075 296218649 /nfs/dbraw/zinc/21/86/49/296218649.db2.gz NEQZOMFVZLGYEK-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@]1(C)CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420964075 296218651 /nfs/dbraw/zinc/21/86/51/296218651.db2.gz NEQZOMFVZLGYEK-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420964075 296218652 /nfs/dbraw/zinc/21/86/52/296218652.db2.gz NEQZOMFVZLGYEK-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[N@H+]1C ZINC000608385123 399258261 /nfs/dbraw/zinc/25/82/61/399258261.db2.gz IANAZUDJINLFFI-GDBMZVCRSA-N 2 1 312.417 2.841 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Oc3cnccn3)cc2)CC[N@H+]1C ZINC000608385124 399258287 /nfs/dbraw/zinc/25/82/87/399258287.db2.gz IANAZUDJINLFFI-GOEBONIOSA-N 2 1 312.417 2.841 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000614779654 399267225 /nfs/dbraw/zinc/26/72/25/399267225.db2.gz AEGFPVPTIHHDAC-CHWSQXEVSA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000614779654 399267228 /nfs/dbraw/zinc/26/72/28/399267228.db2.gz AEGFPVPTIHHDAC-CHWSQXEVSA-N 2 1 317.389 2.518 20 0 DFADMP Clc1ccc2c(NCCCN3CC[NH2+]CC3)cc[nH+]c2c1 ZINC000035307842 182769269 /nfs/dbraw/zinc/76/92/69/182769269.db2.gz VNCQBIDVRNSPDU-UHFFFAOYSA-N 2 1 304.825 2.595 20 0 DFADMP c1ccc2c(c1)OC[C@H](C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)O2 ZINC000608500326 399271667 /nfs/dbraw/zinc/27/16/67/399271667.db2.gz FUNNZOZJNXKEEB-SJORKVTESA-N 2 1 316.445 2.634 20 0 DFADMP c1ccc2c(c1)OC[C@H](C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)O2 ZINC000608500326 399271670 /nfs/dbraw/zinc/27/16/70/399271670.db2.gz FUNNZOZJNXKEEB-SJORKVTESA-N 2 1 316.445 2.634 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)c(C)o1 ZINC000609260163 399310365 /nfs/dbraw/zinc/31/03/65/399310365.db2.gz FXDZMIDVOLEIBY-HNNXBMFYSA-N 2 1 317.389 2.717 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)c(C)o1 ZINC000609260163 399310366 /nfs/dbraw/zinc/31/03/66/399310366.db2.gz FXDZMIDVOLEIBY-HNNXBMFYSA-N 2 1 317.389 2.717 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000042900707 183317628 /nfs/dbraw/zinc/31/76/28/183317628.db2.gz FKKRUOKOJNJTLP-OAHLLOKOSA-N 2 1 313.449 2.826 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000042900707 183317631 /nfs/dbraw/zinc/31/76/31/183317631.db2.gz FKKRUOKOJNJTLP-OAHLLOKOSA-N 2 1 313.449 2.826 20 0 DFADMP CCC[C@H](C(=O)OCC)[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609635920 399328024 /nfs/dbraw/zinc/32/80/24/399328024.db2.gz XLNMMHPSZVAIPE-HZPDHXFCSA-N 2 1 319.449 2.856 20 0 DFADMP Cc1cccc2nc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn21 ZINC000051907761 425883536 /nfs/dbraw/zinc/88/35/36/425883536.db2.gz WRYCSVMPGGAJFD-UHFFFAOYSA-N 2 1 312.461 2.951 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000360957822 284691411 /nfs/dbraw/zinc/69/14/11/284691411.db2.gz NYBIGAVVAGVINB-HRCADAONSA-N 2 1 311.514 2.780 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1ccc(F)cc1Cl ZINC000421818379 296276766 /nfs/dbraw/zinc/27/67/66/296276766.db2.gz AOPAZPDRFCRBBR-CYBMUJFWSA-N 2 1 316.848 2.968 20 0 DFADMP CC(C)c1ncc2c(n1)CC[N@H+](CCCC1CC[NH2+]CC1)C2 ZINC000623232416 399343657 /nfs/dbraw/zinc/34/36/57/399343657.db2.gz JEVUVEBBQLWISW-UHFFFAOYSA-N 2 1 302.466 2.738 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1)C(C)C ZINC000615510749 399345298 /nfs/dbraw/zinc/34/52/98/399345298.db2.gz VLQANPNUFZXENX-UHFFFAOYSA-N 2 1 317.477 2.551 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n(C)n1 ZINC000284569671 218081687 /nfs/dbraw/zinc/08/16/87/218081687.db2.gz YRTNKTMABOFIFL-MISYRCLQSA-N 2 1 324.472 2.729 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+](C)C1CCCC1)c1ccccc1 ZINC000104928062 194053034 /nfs/dbraw/zinc/05/30/34/194053034.db2.gz BYUPGUYLORTYIE-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+](C)C1CCCC1)c1ccccc1 ZINC000104928062 194053035 /nfs/dbraw/zinc/05/30/35/194053035.db2.gz BYUPGUYLORTYIE-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000104928062 194053036 /nfs/dbraw/zinc/05/30/36/194053036.db2.gz BYUPGUYLORTYIE-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP C[N@@H+]1CCO[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]21 ZINC000284894696 218226295 /nfs/dbraw/zinc/22/62/95/218226295.db2.gz HHHXXMIXFNCTND-SJORKVTESA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CCO[C@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]21 ZINC000284894696 218226297 /nfs/dbraw/zinc/22/62/97/218226297.db2.gz HHHXXMIXFNCTND-SJORKVTESA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CC[C@@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1(C)C ZINC000623336806 399365691 /nfs/dbraw/zinc/36/56/91/399365691.db2.gz GBZMXSQMQSJOOX-CVEARBPZSA-N 2 1 305.466 2.879 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623338924 399366057 /nfs/dbraw/zinc/36/60/57/399366057.db2.gz AXHBHFCCDCPVJK-ZFWWWQNUSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623338924 399366059 /nfs/dbraw/zinc/36/60/59/399366059.db2.gz AXHBHFCCDCPVJK-ZFWWWQNUSA-N 2 1 304.434 2.981 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c1 ZINC000601974788 399372434 /nfs/dbraw/zinc/37/24/34/399372434.db2.gz VEPIBPVLCZITCD-CQSZACIVSA-N 2 1 324.852 2.994 20 0 DFADMP COc1cccc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1OC ZINC000623362693 399373215 /nfs/dbraw/zinc/37/32/15/399373215.db2.gz FOWHENUNEWJKDF-HNNXBMFYSA-N 2 1 306.450 2.709 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CNCc1cccc(F)c1OCC(F)(F)F ZINC000623377307 399375804 /nfs/dbraw/zinc/37/58/04/399375804.db2.gz USKWZWZPWCWLEX-GFCCVEGCSA-N 2 1 320.330 2.951 20 0 DFADMP C[N@H+]1CCC[C@@H]1CNCc1cccc(F)c1OCC(F)(F)F ZINC000623377307 399375806 /nfs/dbraw/zinc/37/58/06/399375806.db2.gz USKWZWZPWCWLEX-GFCCVEGCSA-N 2 1 320.330 2.951 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)CC1(C)C ZINC000623372423 399373959 /nfs/dbraw/zinc/37/39/59/399373959.db2.gz ULTZVWCFTAZYJI-HNNXBMFYSA-N 2 1 307.507 2.569 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCNC(=O)c2ccc(Cl)cc2)CC1(C)C ZINC000623380581 399376420 /nfs/dbraw/zinc/37/64/20/399376420.db2.gz FXUFUASKLADANU-OAHLLOKOSA-N 2 1 323.868 2.532 20 0 DFADMP C[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000623418186 399385221 /nfs/dbraw/zinc/38/52/21/399385221.db2.gz GFIHNJMGHKSSBN-YPMHNXCESA-N 2 1 302.422 2.792 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000623418186 399385225 /nfs/dbraw/zinc/38/52/25/399385225.db2.gz GFIHNJMGHKSSBN-YPMHNXCESA-N 2 1 302.422 2.792 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC=C(c3ccco3)C2)CC1 ZINC000285233224 218342905 /nfs/dbraw/zinc/34/29/05/218342905.db2.gz GBTQJMBNUKDQCF-UHFFFAOYSA-N 2 1 317.477 2.785 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000602023006 399386255 /nfs/dbraw/zinc/38/62/55/399386255.db2.gz VRRKGGXYWOBMOQ-BBRMVZONSA-N 2 1 316.401 2.677 20 0 DFADMP COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623430923 399388290 /nfs/dbraw/zinc/38/82/90/399388290.db2.gz LOBDWBYURDKNGR-XJKSGUPXSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc2c(c1)OCC[C@H]2[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623430923 399388292 /nfs/dbraw/zinc/38/82/92/399388292.db2.gz LOBDWBYURDKNGR-XJKSGUPXSA-N 2 1 304.434 2.981 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC(F)(F)CO)CC1 ZINC000285304631 218374414 /nfs/dbraw/zinc/37/44/14/218374414.db2.gz SGONJLHPQICDDX-UHFFFAOYSA-N 2 1 312.404 2.647 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC(F)(F)CO)CC1 ZINC000285304631 218374416 /nfs/dbraw/zinc/37/44/16/218374416.db2.gz SGONJLHPQICDDX-UHFFFAOYSA-N 2 1 312.404 2.647 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623432832 399388918 /nfs/dbraw/zinc/38/89/18/399388918.db2.gz LTFDXXHOHJRENE-CABCVRRESA-N 2 1 306.450 2.925 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000268835332 207001549 /nfs/dbraw/zinc/00/15/49/207001549.db2.gz LOEJYFWDGWSNHU-LJQANCHMSA-N 2 1 302.462 2.891 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000268837556 207002803 /nfs/dbraw/zinc/00/28/03/207002803.db2.gz BVPRTFTZNXWPHB-UXHICEINSA-N 2 1 315.505 2.940 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000268837555 207003472 /nfs/dbraw/zinc/00/34/72/207003472.db2.gz BVPRTFTZNXWPHB-PMACEKPBSA-N 2 1 315.505 2.940 20 0 DFADMP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(-c2cnn(C)c2)c1 ZINC000422561522 296312654 /nfs/dbraw/zinc/31/26/54/296312654.db2.gz LRZWRLACECLKME-UHFFFAOYSA-N 2 1 310.445 2.723 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(OC)c(OC)cc1C ZINC000268853991 207021518 /nfs/dbraw/zinc/02/15/18/207021518.db2.gz XDORPDRIXGNAKC-OAHLLOKOSA-N 2 1 324.465 2.631 20 0 DFADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000268858259 207026159 /nfs/dbraw/zinc/02/61/59/207026159.db2.gz RNVAXRBJDNAPAI-FUHWJXTLSA-N 2 1 306.450 2.583 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc2c(c1)OCCO2 ZINC000268861685 207028273 /nfs/dbraw/zinc/02/82/73/207028273.db2.gz MSGYBFSOKYPPBG-ZDUSSCGKSA-N 2 1 301.390 2.704 20 0 DFADMP C[NH+](C)CCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268875952 207044889 /nfs/dbraw/zinc/04/48/89/207044889.db2.gz DUOZOOQGQCCSKW-UHFFFAOYSA-N 3 1 303.494 2.625 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3C)o2)[C@H](C)C1 ZINC000268880112 207051452 /nfs/dbraw/zinc/05/14/52/207051452.db2.gz AVTXGMAJRMSZNU-HUUCEWRRSA-N 2 1 301.434 2.999 20 0 DFADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCO2 ZINC000268882353 207053371 /nfs/dbraw/zinc/05/33/71/207053371.db2.gz YDDKFFWWBKSZIA-SFHVURJKSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623493625 399401275 /nfs/dbraw/zinc/40/12/75/399401275.db2.gz LWLRJFCVDHNIGW-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493625 399401278 /nfs/dbraw/zinc/40/12/78/399401278.db2.gz LWLRJFCVDHNIGW-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623493625 399401280 /nfs/dbraw/zinc/40/12/80/399401280.db2.gz LWLRJFCVDHNIGW-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493625 399401283 /nfs/dbraw/zinc/40/12/83/399401283.db2.gz LWLRJFCVDHNIGW-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623493625 399401285 /nfs/dbraw/zinc/40/12/85/399401285.db2.gz LWLRJFCVDHNIGW-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP CC(C)Oc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000268889783 207059362 /nfs/dbraw/zinc/05/93/62/207059362.db2.gz ZXYGDIOEWUMPQL-NVXWUHKLSA-N 2 1 306.450 2.581 20 0 DFADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000268891461 207060988 /nfs/dbraw/zinc/06/09/88/207060988.db2.gz JUTUIDGGNIWLFM-OHDICMOHSA-N 2 1 320.477 2.826 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C[NH3+] ZINC000422637839 296317294 /nfs/dbraw/zinc/31/72/94/296317294.db2.gz PLODLQQBFCBLRN-UTUOFQBUSA-N 2 1 301.356 2.906 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@@H]1C[NH3+] ZINC000422637839 296317295 /nfs/dbraw/zinc/31/72/95/296317295.db2.gz PLODLQQBFCBLRN-UTUOFQBUSA-N 2 1 301.356 2.906 20 0 DFADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623499479 399402440 /nfs/dbraw/zinc/40/24/40/399402440.db2.gz HRFIPWAZLRGHBH-JYJNAYRXSA-N 2 1 320.481 2.586 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+](C)C1CCCCC1 ZINC000422706453 296319189 /nfs/dbraw/zinc/31/91/89/296319189.db2.gz UJIPQLHEUALPBA-CQSZACIVSA-N 2 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCN(C)C1CCCCC1 ZINC000422706453 296319190 /nfs/dbraw/zinc/31/91/90/296319190.db2.gz UJIPQLHEUALPBA-CQSZACIVSA-N 2 1 304.482 2.764 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000268934974 207098618 /nfs/dbraw/zinc/09/86/18/207098618.db2.gz RLLNALSZONDICC-BEFAXECRSA-N 2 1 318.461 2.604 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]1CCCCC1 ZINC000422709299 296319806 /nfs/dbraw/zinc/31/98/06/296319806.db2.gz KIBXIXCPUVAJQN-BQFCYCMXSA-N 2 1 319.493 2.938 20 0 DFADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC1 ZINC000422712623 296320022 /nfs/dbraw/zinc/32/00/22/296320022.db2.gz IQKVINXHMFYPCW-GPJFCIFZSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]CC1CCC([NH2+]C[C@@H]2CCN(CCc3ccccc3)C2)CC1 ZINC000422712623 296320026 /nfs/dbraw/zinc/32/00/26/296320026.db2.gz IQKVINXHMFYPCW-GPJFCIFZSA-N 2 1 315.505 2.658 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422717950 296320934 /nfs/dbraw/zinc/32/09/34/296320934.db2.gz KXEOOUDECDEVKI-KGLIPLIRSA-N 2 1 324.350 2.861 20 0 DFADMP C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422718533 296321001 /nfs/dbraw/zinc/32/10/01/296321001.db2.gz PWAXDVLAWVLGKX-MISYRCLQSA-N 2 1 315.505 2.671 20 0 DFADMP C[N@H+]1CC[C@H](NCc2c(F)cccc2-n2cccn2)CC1(C)C ZINC000623542184 399412255 /nfs/dbraw/zinc/41/22/55/399412255.db2.gz QHHBLOVJMBICRU-AWEZNQCLSA-N 2 1 316.424 2.974 20 0 DFADMP C[C@H](N[C@@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725377 296322168 /nfs/dbraw/zinc/32/21/68/296322168.db2.gz BFEBMHKJFMPCRT-KXBFYZLASA-N 2 1 315.505 2.657 20 0 DFADMP C[C@H]([NH2+][C@@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725377 296322169 /nfs/dbraw/zinc/32/21/69/296322169.db2.gz BFEBMHKJFMPCRT-KXBFYZLASA-N 2 1 315.505 2.657 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)OC)c1 ZINC000623587417 399422971 /nfs/dbraw/zinc/42/29/71/399422971.db2.gz PZVCPENPSMDNPJ-RDJZCZTQSA-N 2 1 306.450 2.845 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2nsnc21 ZINC000268985593 207145156 /nfs/dbraw/zinc/14/51/56/207145156.db2.gz FOGUISQLLIOVJA-AWEZNQCLSA-N 2 1 304.463 2.998 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cccc2nsnc21 ZINC000268985593 207145159 /nfs/dbraw/zinc/14/51/59/207145159.db2.gz FOGUISQLLIOVJA-AWEZNQCLSA-N 2 1 304.463 2.998 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cccc2nsnc21 ZINC000268985593 207145161 /nfs/dbraw/zinc/14/51/61/207145161.db2.gz FOGUISQLLIOVJA-AWEZNQCLSA-N 2 1 304.463 2.998 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cccc2nsnc21 ZINC000268985593 207145166 /nfs/dbraw/zinc/14/51/66/207145166.db2.gz FOGUISQLLIOVJA-AWEZNQCLSA-N 2 1 304.463 2.998 20 0 DFADMP C[C@@H](N[C@@H](C)CC[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000268995774 207154677 /nfs/dbraw/zinc/15/46/77/207154677.db2.gz KNJPWHQLMCOFQJ-JKSUJKDBSA-N 2 1 307.482 2.618 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000623654979 399435824 /nfs/dbraw/zinc/43/58/24/399435824.db2.gz LMHJHVLLDAOGSJ-ZDUSSCGKSA-N 2 1 324.852 2.933 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000623654979 399435825 /nfs/dbraw/zinc/43/58/25/399435825.db2.gz LMHJHVLLDAOGSJ-ZDUSSCGKSA-N 2 1 324.852 2.933 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656045 399436892 /nfs/dbraw/zinc/43/68/92/399436892.db2.gz LRUMKYGQDJYSNU-INIZCTEOSA-N 2 1 306.450 2.533 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656045 399436894 /nfs/dbraw/zinc/43/68/94/399436894.db2.gz LRUMKYGQDJYSNU-INIZCTEOSA-N 2 1 306.450 2.533 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623655642 399437300 /nfs/dbraw/zinc/43/73/00/399437300.db2.gz AZOAMXRMCGLOAM-HOTGVXAUSA-N 2 1 303.450 2.725 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1NC(C)=O ZINC000269042841 207192146 /nfs/dbraw/zinc/19/21/46/207192146.db2.gz UNLJGRDPMPZQHU-QWHCGFSZSA-N 2 1 307.438 2.644 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC2 ZINC000623657687 399438100 /nfs/dbraw/zinc/43/81/00/399438100.db2.gz WPCHTLDFWBTIOH-MAUKXSAKSA-N 2 1 302.462 2.874 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000623657678 399438195 /nfs/dbraw/zinc/43/81/95/399438195.db2.gz WMCOLNUQDKFWIH-CYBMUJFWSA-N 2 1 304.463 2.960 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C[C@H](C)O ZINC000269076035 207223485 /nfs/dbraw/zinc/22/34/85/207223485.db2.gz YMMGZUKQYCDZJA-SJORKVTESA-N 2 1 304.478 2.690 20 0 DFADMP COC(=O)CC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000611243505 399450210 /nfs/dbraw/zinc/45/02/10/399450210.db2.gz TXLYNVAWXCYXRD-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000611243505 399450213 /nfs/dbraw/zinc/45/02/13/399450213.db2.gz TXLYNVAWXCYXRD-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000611243505 399450215 /nfs/dbraw/zinc/45/02/15/399450215.db2.gz TXLYNVAWXCYXRD-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000611243505 399450216 /nfs/dbraw/zinc/45/02/16/399450216.db2.gz TXLYNVAWXCYXRD-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000602475646 399455480 /nfs/dbraw/zinc/45/54/80/399455480.db2.gz LXTBOYWVYDEJDH-SWLSCSKDSA-N 2 1 310.463 2.697 20 0 DFADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000611322981 399462201 /nfs/dbraw/zinc/46/22/01/399462201.db2.gz ILVCBTGNVQPSPZ-JKSUJKDBSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)C(C)(C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000611322981 399462204 /nfs/dbraw/zinc/46/22/04/399462204.db2.gz ILVCBTGNVQPSPZ-JKSUJKDBSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)C(C)(C)[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000611322981 399462206 /nfs/dbraw/zinc/46/22/06/399462206.db2.gz ILVCBTGNVQPSPZ-JKSUJKDBSA-N 2 1 310.482 2.772 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000269138760 207269727 /nfs/dbraw/zinc/26/97/27/207269727.db2.gz YQOYSQAYSABZDX-RTBURBONSA-N 2 1 302.462 2.916 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[nH]c1C ZINC000602513294 399464604 /nfs/dbraw/zinc/46/46/04/399464604.db2.gz FRIIEQZCELHOLM-AWEZNQCLSA-N 2 1 321.465 2.711 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1 ZINC000269164178 207288163 /nfs/dbraw/zinc/28/81/63/207288163.db2.gz BYYYBDMQXQZLLQ-KRWDZBQOSA-N 2 1 317.477 2.600 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@H](C)C2)cc1)C(C)C ZINC000269212774 207332048 /nfs/dbraw/zinc/33/20/48/207332048.db2.gz OLIVTSSQNWVRHF-QAPCUYQASA-N 2 1 317.477 2.726 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738367 296324230 /nfs/dbraw/zinc/32/42/30/296324230.db2.gz JOUZQFDAHHQXDH-JFRXWTBNSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738367 296324232 /nfs/dbraw/zinc/32/42/32/296324232.db2.gz JOUZQFDAHHQXDH-JFRXWTBNSA-N 2 1 301.478 2.800 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000269216827 207335821 /nfs/dbraw/zinc/33/58/21/207335821.db2.gz PVPIXYRTNPSQPV-UHFFFAOYSA-N 2 1 315.442 2.708 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]Cc3ccc4c(c3)OCO4)CC[NH2+]2)cc1 ZINC000422748723 296325855 /nfs/dbraw/zinc/32/58/55/296325855.db2.gz VUGCPDMWJOEGAZ-SJORKVTESA-N 2 1 310.397 2.998 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])N2CCCCC2)cc1 ZINC000422755440 296327269 /nfs/dbraw/zinc/32/72/69/296327269.db2.gz HSRVYHJGYIUCDT-OTWHNJEPSA-N 2 1 317.477 2.692 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCC[NH+](C(C)C)C(C)C)[nH]c1C ZINC000602572217 399479374 /nfs/dbraw/zinc/47/93/74/399479374.db2.gz ZLTCEOJGGOQGSA-UHFFFAOYSA-N 2 1 309.454 2.708 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCCO1 ZINC000623852756 399479454 /nfs/dbraw/zinc/47/94/54/399479454.db2.gz ADQCNHRSWLXNJQ-QFBILLFUSA-N 2 1 318.461 2.566 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCc3scnc32)CC1 ZINC000623862009 399482219 /nfs/dbraw/zinc/48/22/19/399482219.db2.gz JADLWYOWGUHSJL-HNNXBMFYSA-N 2 1 322.522 2.528 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000422765804 296329595 /nfs/dbraw/zinc/32/95/95/296329595.db2.gz RGBIFAOROLELIR-WMLDXEAASA-N 2 1 306.498 2.866 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422769673 296329892 /nfs/dbraw/zinc/32/98/92/296329892.db2.gz VZZTUVLKLGUIAH-LESCRADOSA-N 2 1 305.441 2.915 20 0 DFADMP O=C1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cc(F)ccc2N1 ZINC000360612333 296330041 /nfs/dbraw/zinc/33/00/41/296330041.db2.gz JFGCIGVDMYXWCO-DZKIICNBSA-N 2 1 317.408 2.816 20 0 DFADMP O=C1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cc(F)ccc2N1 ZINC000360612333 296330043 /nfs/dbraw/zinc/33/00/43/296330043.db2.gz JFGCIGVDMYXWCO-DZKIICNBSA-N 2 1 317.408 2.816 20 0 DFADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422772781 296330623 /nfs/dbraw/zinc/33/06/23/296330623.db2.gz XSBMFBZFLCRZCA-HRCADAONSA-N 2 1 324.852 2.595 20 0 DFADMP C[C@@H](CC[NH+](C)C)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623901571 399490536 /nfs/dbraw/zinc/49/05/36/399490536.db2.gz LWDZAQMXMGEWIX-AWEZNQCLSA-N 2 1 311.433 2.749 20 0 DFADMP CC[C@H]([NH2+]CCc1ccc(OC)cc1OC)[C@H]1CCCC[NH2+]1 ZINC000422790194 296333178 /nfs/dbraw/zinc/33/31/78/296333178.db2.gz XIVPEUOULRSCFU-DLBZAZTESA-N 2 1 306.450 2.757 20 0 DFADMP c1cc(C[NH+]2CCCCCC2)ccc1CNC1CC[NH2+]CC1 ZINC000422788661 296332847 /nfs/dbraw/zinc/33/28/47/296332847.db2.gz VZTNMDBXAKIJIS-UHFFFAOYSA-N 2 1 301.478 2.904 20 0 DFADMP COc1cccc(O[C@@H](C)C[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000422793711 296334085 /nfs/dbraw/zinc/33/40/85/296334085.db2.gz SOCRXLGSXWWNAK-STQMWFEESA-N 2 1 301.390 2.621 20 0 DFADMP C[C@H](CCNC(=O)CCCCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000269257557 207397258 /nfs/dbraw/zinc/39/72/58/207397258.db2.gz KTJPXHCHQGYOCJ-QGZVFWFLSA-N 2 1 319.493 2.922 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422805786 296336390 /nfs/dbraw/zinc/33/63/90/296336390.db2.gz JOABGHQIIZPPIG-PKOBYXMFSA-N 2 1 301.478 2.542 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422805786 296336391 /nfs/dbraw/zinc/33/63/91/296336391.db2.gz JOABGHQIIZPPIG-PKOBYXMFSA-N 2 1 301.478 2.542 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000422809288 296336955 /nfs/dbraw/zinc/33/69/55/296336955.db2.gz LXCCHZFKCUVNHN-BRWVUGGUSA-N 2 1 319.493 2.513 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+][C@@H](c1nccn1C)c1ccccc1F ZINC000422810808 296337372 /nfs/dbraw/zinc/33/73/72/296337372.db2.gz NWGYFZHCSJAJMD-CZUORRHYSA-N 2 1 304.413 2.756 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631842157 399506380 /nfs/dbraw/zinc/50/63/80/399506380.db2.gz WHQKTDGYLDREMP-MAUKXSAKSA-N 2 1 323.440 2.966 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422820929 296339246 /nfs/dbraw/zinc/33/92/46/296339246.db2.gz SWSLLNQCQZDIPH-VQIMIIECSA-N 2 1 324.472 2.730 20 0 DFADMP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843611 399507022 /nfs/dbraw/zinc/50/70/22/399507022.db2.gz QHWKWTVHHBBINO-DOTOQJQBSA-N 2 1 323.440 2.819 20 0 DFADMP C[C@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@H]1C[NH3+] ZINC000631843611 399507028 /nfs/dbraw/zinc/50/70/28/399507028.db2.gz QHWKWTVHHBBINO-DOTOQJQBSA-N 2 1 323.440 2.819 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000631842677 399505972 /nfs/dbraw/zinc/50/59/72/399505972.db2.gz DMKNOOZAPMWAJU-DGCLKSJQSA-N 2 1 310.825 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@H]1C[NH3+] ZINC000631842677 399505974 /nfs/dbraw/zinc/50/59/74/399505974.db2.gz DMKNOOZAPMWAJU-DGCLKSJQSA-N 2 1 310.825 2.528 20 0 DFADMP CC[C@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000422820902 296339447 /nfs/dbraw/zinc/33/94/47/296339447.db2.gz SVKCMCRPSIUDTK-ZWKOTPCHSA-N 2 1 307.457 2.768 20 0 DFADMP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000422829621 296340736 /nfs/dbraw/zinc/34/07/36/296340736.db2.gz QAPUSRGTHCNJEN-CABCVRRESA-N 2 1 305.447 2.576 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830473 296341086 /nfs/dbraw/zinc/34/10/86/296341086.db2.gz IGHJSQKYEALYDC-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830473 296341087 /nfs/dbraw/zinc/34/10/87/296341087.db2.gz IGHJSQKYEALYDC-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP c1c(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc2n1CCCC2 ZINC000422831146 296341213 /nfs/dbraw/zinc/34/12/13/296341213.db2.gz JFENKKCAHLLOIX-IEBWSBKVSA-N 2 1 324.472 2.845 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1OC ZINC000422829784 296340599 /nfs/dbraw/zinc/34/05/99/296340599.db2.gz CACZPZQJTMURLG-GJZGRUSLSA-N 2 1 322.449 2.852 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCCC[NH2+]1 ZINC000422829511 296340618 /nfs/dbraw/zinc/34/06/18/296340618.db2.gz UPHIIGACIKBNKS-ZFWWWQNUSA-N 2 1 304.434 2.813 20 0 DFADMP CC[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834054 296341915 /nfs/dbraw/zinc/34/19/15/296341915.db2.gz NGDAMSRRFTWZDK-OTWHNJEPSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836152 296341960 /nfs/dbraw/zinc/34/19/60/296341960.db2.gz JIZALDYEKZKJLM-UWPGDLITSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422836152 296341961 /nfs/dbraw/zinc/34/19/61/296341961.db2.gz JIZALDYEKZKJLM-UWPGDLITSA-N 2 1 313.489 2.770 20 0 DFADMP COc1ccc([C@H]([NH2+]CC2CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422853270 296345238 /nfs/dbraw/zinc/34/52/38/296345238.db2.gz YTNUJUBVIWIAGU-ROUUACIJSA-N 2 1 304.434 2.505 20 0 DFADMP COc1ccc([C@H]([NH2+]CC2CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422853268 296345345 /nfs/dbraw/zinc/34/53/45/296345345.db2.gz YTNUJUBVIWIAGU-MSOLQXFVSA-N 2 1 304.434 2.505 20 0 DFADMP Brc1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166915523 532977720 /nfs/dbraw/zinc/97/77/20/532977720.db2.gz XHGSIZVPFWPRJQ-ZIAGYGMSSA-N 2 1 310.239 2.561 20 0 DFADMP Brc1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166915523 532977725 /nfs/dbraw/zinc/97/77/25/532977725.db2.gz XHGSIZVPFWPRJQ-ZIAGYGMSSA-N 2 1 310.239 2.561 20 0 DFADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422857490 296345999 /nfs/dbraw/zinc/34/59/99/296345999.db2.gz HTANDUXYPWFTTO-LPHOPBHVSA-N 2 1 312.461 2.762 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000315340155 532983975 /nfs/dbraw/zinc/98/39/75/532983975.db2.gz FQDLBMXAYHBWNU-CHWSQXEVSA-N 2 1 320.462 2.790 20 0 DFADMP CCOCCOCc1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422867545 296347343 /nfs/dbraw/zinc/34/73/43/296347343.db2.gz SHDROFAMKOFHPI-OALUTQOASA-N 2 1 320.477 2.989 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC[C@H]2CCCO2)c1 ZINC000422873133 296348506 /nfs/dbraw/zinc/34/85/06/296348506.db2.gz KCVFSSDYJDEEDJ-ZWKOTPCHSA-N 2 1 318.461 2.785 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875680 296348665 /nfs/dbraw/zinc/34/86/65/296348665.db2.gz FOTVOAFIVVPIHH-IXDOHACOSA-N 3 1 315.505 2.862 20 0 DFADMP C[C@@H](NCc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875680 296348666 /nfs/dbraw/zinc/34/86/66/296348666.db2.gz FOTVOAFIVVPIHH-IXDOHACOSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@@H](NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422875680 296348668 /nfs/dbraw/zinc/34/86/68/296348668.db2.gz FOTVOAFIVVPIHH-IXDOHACOSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000422875572 296348885 /nfs/dbraw/zinc/34/88/85/296348885.db2.gz PFRLDJJEACABJC-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000422875572 296348886 /nfs/dbraw/zinc/34/88/86/296348886.db2.gz PFRLDJJEACABJC-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422883554 296350053 /nfs/dbraw/zinc/35/00/53/296350053.db2.gz CJTJALBUFKARMQ-BZUAXINKSA-N 2 1 324.852 2.595 20 0 DFADMP Clc1ccccc1C[NH+]1CCC(CN[C@H]2CC[NH2+]C2)CC1 ZINC000422881989 296349751 /nfs/dbraw/zinc/34/97/51/296349751.db2.gz RPPGZYKDYYQYJY-INIZCTEOSA-N 2 1 307.869 2.504 20 0 DFADMP C[C@H](CO)[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@@H](C)c1ccccc1 ZINC000347410320 285038997 /nfs/dbraw/zinc/03/89/97/285038997.db2.gz AKHRWUIXMYXYRM-ZHALLVOQSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](CO)[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@@H](C)c1ccccc1 ZINC000347410320 285038999 /nfs/dbraw/zinc/03/89/99/285038999.db2.gz AKHRWUIXMYXYRM-ZHALLVOQSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](CO)[NH+](CC[C@H]1CCC[N@H+]1C)C[C@@H](C)c1ccccc1 ZINC000347410320 285039001 /nfs/dbraw/zinc/03/90/01/285039001.db2.gz AKHRWUIXMYXYRM-ZHALLVOQSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410322 285039253 /nfs/dbraw/zinc/03/92/53/285039253.db2.gz AKHRWUIXMYXYRM-ZIFCJYIRSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410322 285039257 /nfs/dbraw/zinc/03/92/57/285039257.db2.gz AKHRWUIXMYXYRM-ZIFCJYIRSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H](C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000347410322 285039261 /nfs/dbraw/zinc/03/92/61/285039261.db2.gz AKHRWUIXMYXYRM-ZIFCJYIRSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422891625 296351615 /nfs/dbraw/zinc/35/16/15/296351615.db2.gz KYCQIACCRMKRJH-WBAXXEDZSA-N 2 1 317.477 2.965 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCOC1 ZINC000119650747 195009666 /nfs/dbraw/zinc/00/96/66/195009666.db2.gz APCGEWLOTNVXQF-NVXWUHKLSA-N 2 1 320.452 2.847 20 0 DFADMP Cc1csc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000119659574 195012598 /nfs/dbraw/zinc/01/25/98/195012598.db2.gz MQEXKYBBFGTHRO-UHFFFAOYSA-N 2 1 320.506 2.637 20 0 DFADMP O=C(NC1CC[NH+](CCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000119667537 195012903 /nfs/dbraw/zinc/01/29/03/195012903.db2.gz HJYGOAUPKRXKBK-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000422900556 296353042 /nfs/dbraw/zinc/35/30/42/296353042.db2.gz JOLAKUINJJPUKO-SJORKVTESA-N 2 1 305.466 2.531 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000422901838 296353123 /nfs/dbraw/zinc/35/31/23/296353123.db2.gz SJMZFJHDMROBKU-UONOGXRCSA-N 2 1 314.408 2.810 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H](C)[C@H]2CC[NH2+]C2)CC1 ZINC000422902127 296353460 /nfs/dbraw/zinc/35/34/60/296353460.db2.gz TUBHYUJKQBRBQN-SJORKVTESA-N 2 1 301.478 2.547 20 0 DFADMP C[C@@H](CO)[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347415953 285043380 /nfs/dbraw/zinc/04/33/80/285043380.db2.gz PQUNHHBOWUDYFS-AKPRKHDMSA-N 2 1 302.462 2.789 20 0 DFADMP CC[C@H]([NH2+]CCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]1 ZINC000422914909 296355455 /nfs/dbraw/zinc/35/54/55/296355455.db2.gz WNPAJYUHMTYXPP-GJZGRUSLSA-N 2 1 316.474 2.868 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422917894 296355727 /nfs/dbraw/zinc/35/57/27/296355727.db2.gz GAAVPBPSKWOPKO-MFKMUULPSA-N 2 1 302.340 2.905 20 0 DFADMP C[C@H]1C[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)CC[N@H+]1C ZINC000623995053 399517603 /nfs/dbraw/zinc/51/76/03/399517603.db2.gz LXYQSAKYIJALKF-WMLDXEAASA-N 2 1 323.444 2.891 20 0 DFADMP COc1cc(OC)cc(OCCC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)c1 ZINC000422925720 296356245 /nfs/dbraw/zinc/35/62/45/296356245.db2.gz CEWQEFXHMZLDRJ-KSSFIOAISA-N 2 1 322.449 2.593 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886436 399518547 /nfs/dbraw/zinc/51/85/47/399518547.db2.gz HEPAVDWCOUYYED-CVEARBPZSA-N 2 1 304.434 2.538 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631886436 399518551 /nfs/dbraw/zinc/51/85/51/399518551.db2.gz HEPAVDWCOUYYED-CVEARBPZSA-N 2 1 304.434 2.538 20 0 DFADMP COc1cc(C[NH2+][C@H](C)C2C[NH2+]C2)ccc1OC1CCCC1 ZINC000422938343 296358189 /nfs/dbraw/zinc/35/81/89/296358189.db2.gz KOYIMPBOQUKPDO-CYBMUJFWSA-N 2 1 304.434 2.714 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)C2C[NH2+]C2)ccc1OC1CCCC1 ZINC000422938344 296358370 /nfs/dbraw/zinc/35/83/70/296358370.db2.gz KOYIMPBOQUKPDO-ZDUSSCGKSA-N 2 1 304.434 2.714 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000422940116 296358390 /nfs/dbraw/zinc/35/83/90/296358390.db2.gz IRMSHBJWSSYCPM-IKGGRYGDSA-N 2 1 319.493 2.513 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422958825 296360980 /nfs/dbraw/zinc/36/09/80/296360980.db2.gz QCAPOBURMJBOFF-FZKQIMNGSA-N 2 1 320.383 2.892 20 0 DFADMP CCN(CC)C(=O)CCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422957752 296361015 /nfs/dbraw/zinc/36/10/15/296361015.db2.gz NVOAQOAJIPXKNM-ZWKOTPCHSA-N 2 1 317.477 2.718 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422953337 296360375 /nfs/dbraw/zinc/36/03/75/296360375.db2.gz FHJLFCLLXNCMRV-NRSFXHEJSA-N 3 1 304.482 2.728 20 0 DFADMP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000270040939 208096466 /nfs/dbraw/zinc/09/64/66/208096466.db2.gz CHUWXPZJDGYEKX-KXBFYZLASA-N 2 1 312.461 2.871 20 0 DFADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000270040939 208096473 /nfs/dbraw/zinc/09/64/73/208096473.db2.gz CHUWXPZJDGYEKX-KXBFYZLASA-N 2 1 312.461 2.871 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H](C)c1c[nH+]ccc1N)c1ccco1 ZINC000422971572 296363044 /nfs/dbraw/zinc/36/30/44/296363044.db2.gz JECAMYCRMFJQOS-XJKSGUPXSA-N 2 1 302.422 2.821 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422987762 296364191 /nfs/dbraw/zinc/36/41/91/296364191.db2.gz HJSDTIHRQFLRLN-YSHGAJCASA-N 2 1 301.478 2.798 20 0 DFADMP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccco1)c1ccccc1OC ZINC000422985835 296364342 /nfs/dbraw/zinc/36/43/42/296364342.db2.gz AONHLDFZXBLRIH-KDOFPFPSSA-N 2 1 318.417 2.721 20 0 DFADMP CCC[N@H+]1CC[C@H](CN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422976096 296363347 /nfs/dbraw/zinc/36/33/47/296363347.db2.gz UQFVVDQSCBCTMO-NEWSRXKRSA-N 3 1 301.478 2.801 20 0 DFADMP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c2c(c1)OCCCO2 ZINC000422995246 296365238 /nfs/dbraw/zinc/36/52/38/296365238.db2.gz XMVUAGDYMLGDEA-YESZJQIVSA-N 2 1 316.445 2.858 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(c3nc4ccccc4n4cncc34)CC[C@H]21 ZINC000624041027 399533097 /nfs/dbraw/zinc/53/30/97/399533097.db2.gz HBSPNUSXHJSTAW-GDBMZVCRSA-N 2 1 321.428 2.803 20 0 DFADMP N[C@@H]1CCCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422997690 296365472 /nfs/dbraw/zinc/36/54/72/296365472.db2.gz VKBDKSBXNLZXLF-MSOLQXFVSA-N 2 1 302.466 2.548 20 0 DFADMP COc1ccc(COCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422998946 296365649 /nfs/dbraw/zinc/36/56/49/296365649.db2.gz XAJRDVLVDIEQSO-RBUKOAKNSA-N 2 1 312.413 2.946 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423008846 296367027 /nfs/dbraw/zinc/36/70/27/296367027.db2.gz BHARQHPDACSEDI-ZIAGYGMSSA-N 2 1 314.408 2.953 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423009715 296367223 /nfs/dbraw/zinc/36/72/23/296367223.db2.gz DMKCNYRJLJGPDE-STECZYCISA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423009715 296367225 /nfs/dbraw/zinc/36/72/25/296367225.db2.gz DMKCNYRJLJGPDE-STECZYCISA-N 2 1 307.869 2.815 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000270234220 208300105 /nfs/dbraw/zinc/30/01/05/208300105.db2.gz OWGZJSIRVLZWLP-WFASDCNBSA-N 2 1 320.462 2.925 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H](C)c2c[nH+]ccc2N)c1 ZINC000423014659 296367805 /nfs/dbraw/zinc/36/78/05/296367805.db2.gz PLCVPWOWHUHYQW-ZDUSSCGKSA-N 2 1 315.417 2.795 20 0 DFADMP COc1cc(F)cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423011266 296367558 /nfs/dbraw/zinc/36/75/58/296367558.db2.gz ATIYYETVYPFOEM-ACJLOTCBSA-N 2 1 302.393 2.882 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([C@H](C)[NH3+])C2)cc1)C(C)C ZINC000272241672 285097687 /nfs/dbraw/zinc/09/76/87/285097687.db2.gz KXTLPWYRGYQYPW-MAUKXSAKSA-N 2 1 317.477 2.726 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000620622215 399545168 /nfs/dbraw/zinc/54/51/68/399545168.db2.gz HXJONIVGUDXMNE-KRWDZBQOSA-N 2 1 319.493 2.916 20 0 DFADMP C(N[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000423075247 296375322 /nfs/dbraw/zinc/37/53/22/296375322.db2.gz OCNHKTWDAPMVQM-FCGDIQPGSA-N 2 1 305.510 2.904 20 0 DFADMP CC[N@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)CCC(F)(F)F ZINC000423079247 296375997 /nfs/dbraw/zinc/37/59/97/296375997.db2.gz QHSXTYKVYXSMBT-CABCVRRESA-N 2 1 315.383 2.995 20 0 DFADMP CC[N@@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)CCC(F)(F)F ZINC000423079247 296376000 /nfs/dbraw/zinc/37/60/00/296376000.db2.gz QHSXTYKVYXSMBT-CABCVRRESA-N 2 1 315.383 2.995 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423087377 296376644 /nfs/dbraw/zinc/37/66/44/296376644.db2.gz PJOYJQYLZXEFAC-NXWXRZEISA-N 2 1 318.436 2.950 20 0 DFADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423087333 296376865 /nfs/dbraw/zinc/37/68/65/296376865.db2.gz PERJAEVMXFPRLT-AWEZNQCLSA-N 2 1 312.461 2.695 20 0 DFADMP CCc1nn(-c2ccccc2)c(CC)c1C[NH2+]C1CC[NH2+]CC1 ZINC000423085567 296376417 /nfs/dbraw/zinc/37/64/17/296376417.db2.gz KULTWBBASDHFDG-UHFFFAOYSA-N 2 1 312.461 2.839 20 0 DFADMP Cc1ccc(C(C)(C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)nc1 ZINC000624110639 399556910 /nfs/dbraw/zinc/55/69/10/399556910.db2.gz CAOOVXPOMFCOIF-QGZVFWFLSA-N 2 1 317.477 2.511 20 0 DFADMP Cc1nocc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000294585991 224103884 /nfs/dbraw/zinc/10/38/84/224103884.db2.gz HDPRQIDKBJCHHN-UHFFFAOYSA-N 2 1 300.406 2.895 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000616995510 399558780 /nfs/dbraw/zinc/55/87/80/399558780.db2.gz STTVUTPQGITTDD-INIZCTEOSA-N 2 1 317.477 2.598 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)C2 ZINC000624122953 399560329 /nfs/dbraw/zinc/56/03/29/399560329.db2.gz BPPVXAIQJRWRLW-DOTOQJQBSA-N 2 1 302.462 2.874 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423108283 296379229 /nfs/dbraw/zinc/37/92/29/296379229.db2.gz QVTCYCJWRHETQA-NVXWUHKLSA-N 2 1 311.429 2.748 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)cc2c1OCC2 ZINC000272913794 210300648 /nfs/dbraw/zinc/30/06/48/210300648.db2.gz ILDNAXANIAYUGO-UHFFFAOYSA-N 2 1 305.809 2.960 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423110897 296379702 /nfs/dbraw/zinc/37/97/02/296379702.db2.gz WDKKFTXMXQHPRH-YPMHNXCESA-N 2 1 317.355 2.500 20 0 DFADMP CCC[N@@H+](C)[C@@H](CN[C@@H](C)C1C[NH2+]C1)c1ccc(Cl)cc1 ZINC000423111776 296379721 /nfs/dbraw/zinc/37/97/21/296379721.db2.gz WNNZFXHTOBZMNC-GUYCJALGSA-N 2 1 309.885 2.920 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C2 ZINC000624122954 399561144 /nfs/dbraw/zinc/56/11/44/399561144.db2.gz BPPVXAIQJRWRLW-NVXWUHKLSA-N 2 1 302.462 2.874 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cc1F)C1C[NH2+]C1 ZINC000423113354 296379981 /nfs/dbraw/zinc/37/99/81/296379981.db2.gz UEXQTAYJEXYECQ-BDAKNGLRSA-N 2 1 301.203 2.847 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119141 296380571 /nfs/dbraw/zinc/38/05/71/296380571.db2.gz BGXKZJYVUUHIOS-WDYCEAGBSA-N 2 1 317.477 2.561 20 0 DFADMP CC(C)N(C)C[C@H](C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119141 296380572 /nfs/dbraw/zinc/38/05/72/296380572.db2.gz BGXKZJYVUUHIOS-WDYCEAGBSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423121153 296380978 /nfs/dbraw/zinc/38/09/78/296380978.db2.gz IAROMUMMZOARHZ-JCGIZDLHSA-N 2 1 300.446 2.811 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)C1 ZINC000624123952 399562924 /nfs/dbraw/zinc/56/29/24/399562924.db2.gz UPSNWPZTDSPNIF-IKGGRYGDSA-N 2 1 304.482 2.768 20 0 DFADMP CCC[C@H](C)C(=O)NCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423131796 296382259 /nfs/dbraw/zinc/38/22/59/296382259.db2.gz OKDSSWGUTVIZLU-SZMVWBNQSA-N 2 1 317.477 2.622 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccccc2)c2ccccc21 ZINC000423124028 296381694 /nfs/dbraw/zinc/38/16/94/296381694.db2.gz NYZQSLZIJGQOBH-YRPNKDGESA-N 2 1 308.425 2.887 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(F)c(Br)c1 ZINC000423128715 296381847 /nfs/dbraw/zinc/38/18/47/296381847.db2.gz DGIQZUKYNGQULJ-BDAKNGLRSA-N 2 1 301.203 2.847 20 0 DFADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C2CC2)cc1 ZINC000423134060 296382746 /nfs/dbraw/zinc/38/27/46/296382746.db2.gz RNTAVYWSWQXWDB-IYWMVGAKSA-N 2 1 314.473 2.927 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617004228 399565780 /nfs/dbraw/zinc/56/57/80/399565780.db2.gz NJBATMRXJASRSN-GJZGRUSLSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617004228 399565785 /nfs/dbraw/zinc/56/57/85/399565785.db2.gz NJBATMRXJASRSN-GJZGRUSLSA-N 2 1 320.481 2.633 20 0 DFADMP C([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000423138780 296383324 /nfs/dbraw/zinc/38/33/24/296383324.db2.gz UBIOTLFKFMXEHA-FKSLSLAPSA-N 2 1 306.494 2.950 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000158535093 197281559 /nfs/dbraw/zinc/28/15/59/197281559.db2.gz ZSCLKWXOCASEDH-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1F ZINC000158535093 197281561 /nfs/dbraw/zinc/28/15/61/197281561.db2.gz ZSCLKWXOCASEDH-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1F ZINC000158535093 197281563 /nfs/dbraw/zinc/28/15/63/197281563.db2.gz ZSCLKWXOCASEDH-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1F ZINC000158535093 197281564 /nfs/dbraw/zinc/28/15/64/197281564.db2.gz ZSCLKWXOCASEDH-PBHICJAKSA-N 2 1 320.408 2.528 20 0 DFADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[NH2+][C@H](c3ccccc3)C1)CCCC2 ZINC000423139052 296383410 /nfs/dbraw/zinc/38/34/10/296383410.db2.gz KCAGIDOMTURXOD-APWZRJJASA-N 2 1 324.472 2.882 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423137704 296383486 /nfs/dbraw/zinc/38/34/86/296383486.db2.gz WWPZIRAWDLUCTI-OLZOCXBDSA-N 2 1 300.381 2.563 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000367085064 285146417 /nfs/dbraw/zinc/14/64/17/285146417.db2.gz DFFVIWIMNHIYMB-QTMHVTGLSA-N 2 1 324.509 2.671 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000367085064 285146423 /nfs/dbraw/zinc/14/64/23/285146423.db2.gz DFFVIWIMNHIYMB-QTMHVTGLSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cncn2C)C1 ZINC000347730089 285149203 /nfs/dbraw/zinc/14/92/03/285149203.db2.gz CAEIZKIZWBFCRB-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cncn2C)C1 ZINC000347730089 285149205 /nfs/dbraw/zinc/14/92/05/285149205.db2.gz CAEIZKIZWBFCRB-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000347730089 285149208 /nfs/dbraw/zinc/14/92/08/285149208.db2.gz CAEIZKIZWBFCRB-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000347730089 285149209 /nfs/dbraw/zinc/14/92/09/285149209.db2.gz CAEIZKIZWBFCRB-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423148304 296385123 /nfs/dbraw/zinc/38/51/23/296385123.db2.gz UWVBXGAAUFHKIK-NZSAHSFTSA-N 2 1 318.436 2.950 20 0 DFADMP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423148305 296385173 /nfs/dbraw/zinc/38/51/73/296385173.db2.gz UWVBXGAAUFHKIK-QXAKKESOSA-N 2 1 318.436 2.950 20 0 DFADMP C[C@H]([NH2+]C1(c2ccc(OC(F)(F)F)cc2)CC1)C1C[NH2+]C1 ZINC000423148625 296385203 /nfs/dbraw/zinc/38/52/03/296385203.db2.gz WEBWOHUTABIODA-JTQLQIEISA-N 2 1 300.324 2.772 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000617009085 399568635 /nfs/dbraw/zinc/56/86/35/399568635.db2.gz RXLIVBNIKCZMFY-IRXDYDNUSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617009085 399568640 /nfs/dbraw/zinc/56/86/40/399568640.db2.gz RXLIVBNIKCZMFY-IRXDYDNUSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000617009085 399568642 /nfs/dbraw/zinc/56/86/42/399568642.db2.gz RXLIVBNIKCZMFY-IRXDYDNUSA-N 2 1 321.509 2.773 20 0 DFADMP COc1cc(F)cc(C[C@@H](C)[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000423161866 296386774 /nfs/dbraw/zinc/38/67/74/296386774.db2.gz JVKLIWNMSRSYOQ-VXGBXAGGSA-N 2 1 303.381 2.924 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423159221 296386595 /nfs/dbraw/zinc/38/65/95/296386595.db2.gz XPHNFAPQXWUYEB-WMZOPIPTSA-N 2 1 301.478 2.629 20 0 DFADMP CC(C)(C)c1ccncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423169392 296387598 /nfs/dbraw/zinc/38/75/98/296387598.db2.gz JOPNPBDFDUTLTL-CGTJXYLNSA-N 2 1 317.477 2.626 20 0 DFADMP COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000423171318 296387814 /nfs/dbraw/zinc/38/78/14/296387814.db2.gz ODKOOYABUBCVST-JVPBZIDWSA-N 2 1 312.413 2.506 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423188312 296390122 /nfs/dbraw/zinc/39/01/22/296390122.db2.gz LODFVJHFLRMHNH-FYQPLNBISA-N 3 1 313.489 2.771 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CCC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423209656 296392683 /nfs/dbraw/zinc/39/26/83/296392683.db2.gz JBZVVEQMJOPWIG-UKRRQHHQSA-N 2 1 316.424 2.970 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157206409 197169780 /nfs/dbraw/zinc/16/97/80/197169780.db2.gz XUEJKJBZBYUZFN-GOSISDBHSA-N 2 1 316.445 2.924 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)cc1 ZINC000157206409 197169782 /nfs/dbraw/zinc/16/97/82/197169782.db2.gz XUEJKJBZBYUZFN-GOSISDBHSA-N 2 1 316.445 2.924 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423222580 296394411 /nfs/dbraw/zinc/39/44/11/296394411.db2.gz BSKCJKWOWMRRAI-UFBFGSQYSA-N 2 1 301.203 2.902 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620770541 399588893 /nfs/dbraw/zinc/58/88/93/399588893.db2.gz AWTCKWNVNDBQQF-DOTOQJQBSA-N 2 1 317.477 2.544 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000423238553 296395955 /nfs/dbraw/zinc/39/59/55/296395955.db2.gz QZSKMFFHIMJTAW-ZGXWSNOMSA-N 2 1 313.489 2.771 20 0 DFADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000423238768 296395978 /nfs/dbraw/zinc/39/59/78/296395978.db2.gz JHKCIGJVCFAMEY-NIKGAXFTSA-N 2 1 301.478 2.882 20 0 DFADMP CC[NH2+]CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423235933 296395513 /nfs/dbraw/zinc/39/55/13/296395513.db2.gz NSCPEGJAEPHOGG-SLFFLAALSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000423259498 296397595 /nfs/dbraw/zinc/39/75/95/296397595.db2.gz DYHUCBSLAUAUBF-BLLLJJGKSA-N 2 1 317.433 2.576 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc1OC ZINC000423259904 296397696 /nfs/dbraw/zinc/39/76/96/296397696.db2.gz FZTPTADQYISNQR-GDBMZVCRSA-N 2 1 308.466 2.906 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc(OC)c1OC ZINC000423267061 296398461 /nfs/dbraw/zinc/39/84/61/296398461.db2.gz DRYDLJUIQKFVFZ-JSGCOSHPSA-N 2 1 310.438 2.736 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423262641 296397950 /nfs/dbraw/zinc/39/79/50/296397950.db2.gz NAIZCOCYEGUMNA-WBVHZDCISA-N 2 1 305.466 2.547 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408450 399594762 /nfs/dbraw/zinc/59/47/62/399594762.db2.gz VMBNMSSRYXAXPW-ISTVAULSSA-N 2 1 315.230 2.859 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC[N@@H+](C3CCCC3)CC2)s1 ZINC000347838841 285198264 /nfs/dbraw/zinc/19/82/64/285198264.db2.gz BMZMBOLBIVGDBT-UHFFFAOYSA-N 2 1 322.522 2.655 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC[N@H+](C3CCCC3)CC2)s1 ZINC000347838841 285198266 /nfs/dbraw/zinc/19/82/66/285198266.db2.gz BMZMBOLBIVGDBT-UHFFFAOYSA-N 2 1 322.522 2.655 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000423276498 296399859 /nfs/dbraw/zinc/39/98/59/296399859.db2.gz MYHLKMGLUXSIOX-KBPBESRZSA-N 2 1 313.214 2.902 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCCC[C@H]([NH+]3CCCC3)C2)s1 ZINC000347846480 285203884 /nfs/dbraw/zinc/20/38/84/285203884.db2.gz NMQLHGGLYGMWPP-HNNXBMFYSA-N 2 1 322.522 2.655 20 0 DFADMP CC[C@H]([NH2+]CC1C[NH2+]C1)c1cc(F)cc(Br)c1 ZINC000423305311 296402636 /nfs/dbraw/zinc/40/26/36/296402636.db2.gz QNQGPLLNNYBDEL-ZDUSSCGKSA-N 2 1 301.203 2.848 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC(F)F ZINC000423314412 296403366 /nfs/dbraw/zinc/40/33/66/296403366.db2.gz HBMRULLFPNDXPY-CABZTGNLSA-N 2 1 300.349 2.685 20 0 DFADMP CN(CC[C@@H]1CCCC[N@@H+]1C)Cc1ncc(C[NH+](C)C)s1 ZINC000347861723 285213742 /nfs/dbraw/zinc/21/37/42/285213742.db2.gz UQSWCMGUDBCULG-AWEZNQCLSA-N 2 1 310.511 2.511 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ncc(C[NH+](C)C)s1 ZINC000347861723 285213746 /nfs/dbraw/zinc/21/37/46/285213746.db2.gz UQSWCMGUDBCULG-AWEZNQCLSA-N 2 1 310.511 2.511 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000624218208 399601495 /nfs/dbraw/zinc/60/14/95/399601495.db2.gz VWXMAWHMZXCOFX-QQTVYSQJSA-N 2 1 300.446 2.543 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347883030 285223506 /nfs/dbraw/zinc/22/35/06/285223506.db2.gz QCHAKGAJGYMCAU-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347883030 285223509 /nfs/dbraw/zinc/22/35/09/285223509.db2.gz QCHAKGAJGYMCAU-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347883030 285223514 /nfs/dbraw/zinc/22/35/14/285223514.db2.gz QCHAKGAJGYMCAU-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OC)c2C)C1 ZINC000347883030 285223518 /nfs/dbraw/zinc/22/35/18/285223518.db2.gz QCHAKGAJGYMCAU-OAHLLOKOSA-N 2 1 306.450 2.786 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[N@@H+]2CCOC[C@@H]2C1 ZINC000347889429 285226738 /nfs/dbraw/zinc/22/67/38/285226738.db2.gz AOAMCWMFXJYOIP-HNNXBMFYSA-N 2 1 311.429 2.626 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[N@H+]2CCOC[C@@H]2C1 ZINC000347889429 285226739 /nfs/dbraw/zinc/22/67/39/285226739.db2.gz AOAMCWMFXJYOIP-HNNXBMFYSA-N 2 1 311.429 2.626 20 0 DFADMP COc1ccc(CCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000155201464 197032434 /nfs/dbraw/zinc/03/24/34/197032434.db2.gz SQUOATIARKSAQX-VYDXJSESSA-N 2 1 320.477 2.955 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C)CCC2 ZINC000423407123 296413344 /nfs/dbraw/zinc/41/33/44/296413344.db2.gz VJQIDXNVCUVTRS-KWCYVHTRSA-N 2 1 320.433 2.730 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@H]2O)c2ccccc2)c(C)c1 ZINC000423409809 296413691 /nfs/dbraw/zinc/41/36/91/296413691.db2.gz QTQDGUGMSJPTJR-DFQSSKMNSA-N 2 1 310.441 2.563 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H](C)CC(C)C ZINC000361213549 285247549 /nfs/dbraw/zinc/24/75/49/285247549.db2.gz QWLCYTPHUOYVFZ-IAGOWNOFSA-N 2 1 311.514 2.543 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccsc1C ZINC000294423706 285249941 /nfs/dbraw/zinc/24/99/41/285249941.db2.gz FJAADAKTNRBYFP-OAHLLOKOSA-N 2 1 323.506 2.545 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423468004 296418687 /nfs/dbraw/zinc/41/86/87/296418687.db2.gz DZMWZSZIPXGVLD-UKRRQHHQSA-N 2 1 312.429 2.851 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C12CCCC2 ZINC000423467365 296418858 /nfs/dbraw/zinc/41/88/58/296418858.db2.gz DTEGRCLCKDDVKJ-MELADBBJSA-N 2 1 302.409 2.559 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCC[N@H+](C)C2CCCCC2)cn1C ZINC000347928198 285251290 /nfs/dbraw/zinc/25/12/90/285251290.db2.gz UUKWKVWWKSPKPM-UHFFFAOYSA-N 2 1 321.465 2.556 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)cn1C ZINC000347928198 285251292 /nfs/dbraw/zinc/25/12/92/285251292.db2.gz UUKWKVWWKSPKPM-UHFFFAOYSA-N 2 1 321.465 2.556 20 0 DFADMP CCCCN(CC)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347928900 285251403 /nfs/dbraw/zinc/25/14/03/285251403.db2.gz JLKSWAHQMDVLDQ-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCCN(CC)C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347928900 285251406 /nfs/dbraw/zinc/25/14/06/285251406.db2.gz JLKSWAHQMDVLDQ-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CCS[C@@H](C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000602878808 399613968 /nfs/dbraw/zinc/61/39/68/399613968.db2.gz YRKMHSZUQBZVNG-ZDUSSCGKSA-N 2 1 324.494 2.801 20 0 DFADMP CCS[C@@H](C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000602878808 399613972 /nfs/dbraw/zinc/61/39/72/399613972.db2.gz YRKMHSZUQBZVNG-ZDUSSCGKSA-N 2 1 324.494 2.801 20 0 DFADMP CCCC[C@H](COC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120644351 195206751 /nfs/dbraw/zinc/20/67/51/195206751.db2.gz MTGFCVJDNCJHMM-MOPGFXCFSA-N 2 1 320.477 2.548 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OC(F)F)cc1 ZINC000423530276 296426886 /nfs/dbraw/zinc/42/68/86/296426886.db2.gz YSBPTYZHSBNEIW-HUUCEWRRSA-N 2 1 314.376 2.707 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000120710879 195222112 /nfs/dbraw/zinc/22/21/12/195222112.db2.gz HCKCVZZFJYZGEE-CQSZACIVSA-N 2 1 315.465 2.871 20 0 DFADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257511 399617493 /nfs/dbraw/zinc/61/74/93/399617493.db2.gz GLLKTBMCVAGEQQ-YOEHRIQHSA-N 2 1 303.450 2.920 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000271586627 209035217 /nfs/dbraw/zinc/03/52/17/209035217.db2.gz XPCLERFQMXSRSQ-KJGCVMFHSA-N 2 1 306.450 2.844 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000271586627 209035221 /nfs/dbraw/zinc/03/52/21/209035221.db2.gz XPCLERFQMXSRSQ-KJGCVMFHSA-N 2 1 306.450 2.844 20 0 DFADMP CCOc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000289507356 221026267 /nfs/dbraw/zinc/02/62/67/221026267.db2.gz UIUNPCIJSSBFHJ-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(COCCOC)cc1 ZINC000289517024 221035355 /nfs/dbraw/zinc/03/53/55/221035355.db2.gz VAVRYXFENNHXGS-UHFFFAOYSA-N 2 1 308.466 2.623 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(COCCOC)cc1 ZINC000289517024 221035356 /nfs/dbraw/zinc/03/53/56/221035356.db2.gz VAVRYXFENNHXGS-UHFFFAOYSA-N 2 1 308.466 2.623 20 0 DFADMP CSC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000602921586 399628219 /nfs/dbraw/zinc/62/82/19/399628219.db2.gz UOUZNVBVBYGPSM-UHFFFAOYSA-N 2 1 320.502 2.846 20 0 DFADMP Cc1cc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc(C)c1O ZINC000289686601 221154655 /nfs/dbraw/zinc/15/46/55/221154655.db2.gz MXRWOKXZCNWPSA-INIZCTEOSA-N 2 1 306.450 2.600 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513517 399630887 /nfs/dbraw/zinc/63/08/87/399630887.db2.gz LFIZWEGPLYRZTP-RYUDHWBXSA-N 2 1 318.387 2.839 20 0 DFADMP C[C@@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297613781 227371159 /nfs/dbraw/zinc/37/11/59/227371159.db2.gz KSXRHGWXGBASAK-SCLBCKFNSA-N 2 1 306.425 2.854 20 0 DFADMP CCO[C@@H](C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000629519171 399634128 /nfs/dbraw/zinc/63/41/28/399634128.db2.gz QLDCJFBCPRAPOF-OALUTQOASA-N 2 1 317.477 2.841 20 0 DFADMP CCO[C@@H](C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000629519171 399634131 /nfs/dbraw/zinc/63/41/31/399634131.db2.gz QLDCJFBCPRAPOF-OALUTQOASA-N 2 1 317.477 2.841 20 0 DFADMP CCOc1cccc2cc([C@@H](C)[NH2+]CC3([NH3+])CCOCC3)oc21 ZINC000629525084 399634704 /nfs/dbraw/zinc/63/47/04/399634704.db2.gz RPGLNYBMRSFGJZ-CYBMUJFWSA-N 2 1 318.417 2.990 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1O ZINC000289827648 221252492 /nfs/dbraw/zinc/25/24/92/221252492.db2.gz QBUBHLBSHWJGNX-QWHCGFSZSA-N 2 1 303.406 2.893 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000624311222 399634987 /nfs/dbraw/zinc/63/49/87/399634987.db2.gz VFMDSISFELJMOV-YSHGAJCASA-N 2 1 302.462 2.912 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCCOCCc1ccccc1)C2 ZINC000629595996 399659009 /nfs/dbraw/zinc/65/90/09/399659009.db2.gz PAPRFRUVQYUFFV-KDURUIRLSA-N 2 1 302.462 2.567 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617344514 399669933 /nfs/dbraw/zinc/66/99/33/399669933.db2.gz KOFWDKPSGHSBSK-NVXWUHKLSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000617344514 399669937 /nfs/dbraw/zinc/66/99/37/399669937.db2.gz KOFWDKPSGHSBSK-NVXWUHKLSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000617344514 399669941 /nfs/dbraw/zinc/66/99/41/399669941.db2.gz KOFWDKPSGHSBSK-NVXWUHKLSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccc2ccccc2c1 ZINC000629548658 399643788 /nfs/dbraw/zinc/64/37/88/399643788.db2.gz RBUXGXDJKGDPOW-IFXJQAMLSA-N 2 1 321.428 2.817 20 0 DFADMP CC(C)C[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000629552341 399644940 /nfs/dbraw/zinc/64/49/40/399644940.db2.gz HVMMXFIQBKOXFO-QZTJIDSGSA-N 2 1 313.449 2.690 20 0 DFADMP O[C@@H](C[NH2+]Cc1ccc(OC2CCCC2)cc1)C[NH+]1CCCC1 ZINC000629559445 399649673 /nfs/dbraw/zinc/64/96/73/399649673.db2.gz RJHLJDVUEHFJPM-KRWDZBQOSA-N 2 1 318.461 2.554 20 0 DFADMP Cc1cccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563275 399650503 /nfs/dbraw/zinc/65/05/03/399650503.db2.gz DNSBSODVRYNZGV-HIFRSBDPSA-N 2 1 316.367 2.833 20 0 DFADMP Cc1cccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563275 399650507 /nfs/dbraw/zinc/65/05/07/399650507.db2.gz DNSBSODVRYNZGV-HIFRSBDPSA-N 2 1 316.367 2.833 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563661 399650801 /nfs/dbraw/zinc/65/08/01/399650801.db2.gz QAOMQCJLFSQQBB-TZMCWYRMSA-N 2 1 302.340 2.654 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563661 399650805 /nfs/dbraw/zinc/65/08/05/399650805.db2.gz QAOMQCJLFSQQBB-TZMCWYRMSA-N 2 1 302.340 2.654 20 0 DFADMP COCc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564647 399650839 /nfs/dbraw/zinc/65/08/39/399650839.db2.gz TYBOZFMXYCCCRO-CABCVRRESA-N 2 1 316.367 2.792 20 0 DFADMP COCc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564647 399650849 /nfs/dbraw/zinc/65/08/49/399650849.db2.gz TYBOZFMXYCCCRO-CABCVRRESA-N 2 1 316.367 2.792 20 0 DFADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561995 399651208 /nfs/dbraw/zinc/65/12/08/399651208.db2.gz KWKQZSBBNOSIMB-ZIAGYGMSSA-N 2 1 315.383 2.712 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561995 399651213 /nfs/dbraw/zinc/65/12/13/399651213.db2.gz KWKQZSBBNOSIMB-ZIAGYGMSSA-N 2 1 315.383 2.712 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1cccc(Br)c1 ZINC000629572226 399652547 /nfs/dbraw/zinc/65/25/47/399652547.db2.gz OVKNWPHRTRBOBM-LBPRGKRZSA-N 2 1 315.255 2.678 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C)c(C)cc1OC(F)F ZINC000629654345 399676408 /nfs/dbraw/zinc/67/64/08/399676408.db2.gz PPMMJLHLXCKYIZ-UHFFFAOYSA-N 2 1 316.392 2.573 20 0 DFADMP COCc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)o1 ZINC000629654438 399676591 /nfs/dbraw/zinc/67/65/91/399676591.db2.gz OPHRVMYWABDTIR-QAPCUYQASA-N 2 1 300.402 2.600 20 0 DFADMP c1cnn(CC[N@@H+](Cc2ccsc2)[C@@H]2CC23CC[NH2+]CC3)c1 ZINC000262024266 257256633 /nfs/dbraw/zinc/25/66/33/257256633.db2.gz ZIESKBSNTUVSPH-MRXNPFEDSA-N 2 1 316.474 2.589 20 0 DFADMP C[NH+](C)CCc1ccc(-c2cccc(-c3nc(C[NH3+])no3)c2)cc1 ZINC000629731720 399705498 /nfs/dbraw/zinc/70/54/98/399705498.db2.gz NGBUHVPCEQSFOQ-UHFFFAOYSA-N 2 1 322.412 2.966 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2ccc(CC[NH3+])cc2)CC1 ZINC000629735319 399707584 /nfs/dbraw/zinc/70/75/84/399707584.db2.gz QXKUOUGHQKCTIU-UHFFFAOYSA-N 2 1 309.457 2.602 20 0 DFADMP CC(C)[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H](C)O ZINC000093145675 542552153 /nfs/dbraw/zinc/55/21/53/542552153.db2.gz MVAQAVVRKMTKPW-KRWDZBQOSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@H]1OCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000093418735 542553824 /nfs/dbraw/zinc/55/38/24/542553824.db2.gz OJRBOLVQBUPWGU-IAGOWNOFSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@H]1OCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H]1C ZINC000093418735 542553826 /nfs/dbraw/zinc/55/38/26/542553826.db2.gz OJRBOLVQBUPWGU-IAGOWNOFSA-N 2 1 318.461 2.770 20 0 DFADMP CC(C)c1cccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000617503426 399720701 /nfs/dbraw/zinc/72/07/01/399720701.db2.gz ILXHYJZDNDQART-INIZCTEOSA-N 2 1 319.493 2.812 20 0 DFADMP CC(C)c1cccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000617503426 399720703 /nfs/dbraw/zinc/72/07/03/399720703.db2.gz ILXHYJZDNDQART-INIZCTEOSA-N 2 1 319.493 2.812 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000271973650 285339283 /nfs/dbraw/zinc/33/92/83/285339283.db2.gz NHPNFIOQMQNMKT-MVJPYGJCSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000271973650 285339285 /nfs/dbraw/zinc/33/92/85/285339285.db2.gz NHPNFIOQMQNMKT-MVJPYGJCSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000271973650 285339281 /nfs/dbraw/zinc/33/92/81/285339281.db2.gz NHPNFIOQMQNMKT-MVJPYGJCSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000271973650 285339282 /nfs/dbraw/zinc/33/92/82/285339282.db2.gz NHPNFIOQMQNMKT-MVJPYGJCSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)C1CCCCC1 ZINC000190916632 285353464 /nfs/dbraw/zinc/35/34/64/285353464.db2.gz UQRPKKHJUQYTDG-BHIYHBOVSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)C1CCCCC1 ZINC000190916632 285353467 /nfs/dbraw/zinc/35/34/67/285353467.db2.gz UQRPKKHJUQYTDG-BHIYHBOVSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C1CCCCC1 ZINC000190916632 285353468 /nfs/dbraw/zinc/35/34/68/285353468.db2.gz UQRPKKHJUQYTDG-BHIYHBOVSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCC1 ZINC000298222287 285356818 /nfs/dbraw/zinc/35/68/18/285356818.db2.gz SHNHMDXQRJJZHO-SJORKVTESA-N 2 1 308.853 2.837 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)C1 ZINC000348115504 285359056 /nfs/dbraw/zinc/35/90/56/285359056.db2.gz HVPPBCLFNLSXPJ-RDBSUJKOSA-N 2 1 308.388 2.806 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)C1 ZINC000348115501 285359091 /nfs/dbraw/zinc/35/90/91/285359091.db2.gz HVPPBCLFNLSXPJ-HZSPNIEDSA-N 2 1 308.388 2.806 20 0 DFADMP CCn1c(C)cc(C(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)c1C ZINC000121649383 195323822 /nfs/dbraw/zinc/32/38/22/195323822.db2.gz UFYGNXPQQWTCQD-UHFFFAOYSA-N 2 1 319.493 2.971 20 0 DFADMP Cc1ccc2ncc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)n2c1 ZINC000121809287 195350961 /nfs/dbraw/zinc/35/09/61/195350961.db2.gz MPZXDFBDZZDUHR-UHFFFAOYSA-N 2 1 323.444 2.831 20 0 DFADMP CC[C@@H](C)NC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062351 399741165 /nfs/dbraw/zinc/74/11/65/399741165.db2.gz PIOVLBMTMQSCMD-HZPDHXFCSA-N 2 1 319.493 2.873 20 0 DFADMP CC[N@H+](Cc1snnc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063477 399742554 /nfs/dbraw/zinc/74/25/54/399742554.db2.gz FUTQGWWSMMHUOL-UHFFFAOYSA-N 2 1 304.463 2.930 20 0 DFADMP CC[N@@H+](Cc1snnc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063477 399742557 /nfs/dbraw/zinc/74/25/57/399742557.db2.gz FUTQGWWSMMHUOL-UHFFFAOYSA-N 2 1 304.463 2.930 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294948150 533409763 /nfs/dbraw/zinc/40/97/63/533409763.db2.gz HKZXDUISNHEZTP-UNPWZGGWSA-N 2 1 315.461 2.643 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000309746993 533649649 /nfs/dbraw/zinc/64/96/49/533649649.db2.gz UTIRFYZKEUABCP-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000309746993 533649659 /nfs/dbraw/zinc/64/96/59/533649659.db2.gz UTIRFYZKEUABCP-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000309746993 533649664 /nfs/dbraw/zinc/64/96/64/533649664.db2.gz UTIRFYZKEUABCP-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cc(F)cc2F ZINC000121332937 542584349 /nfs/dbraw/zinc/58/43/49/542584349.db2.gz QUNGAJMVHFCZIU-RDTXWAMCSA-N 2 1 324.415 2.779 20 0 DFADMP C[C@H](NCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442925 130031119 /nfs/dbraw/zinc/03/11/19/130031119.db2.gz ITYHTARTBMEXLV-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]CCN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442925 130031124 /nfs/dbraw/zinc/03/11/24/130031124.db2.gz ITYHTARTBMEXLV-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+](C)C)cc1Cn1cccn1 ZINC000151949787 542671132 /nfs/dbraw/zinc/67/11/32/542671132.db2.gz ICNKNUDHUCVJDA-OAHLLOKOSA-N 2 1 316.449 2.542 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000309664803 533672157 /nfs/dbraw/zinc/67/21/57/533672157.db2.gz OOQJYIWJTIHUFM-GOSISDBHSA-N 2 1 311.429 2.702 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)[C@H](C)CC)[C@@H](C)C1 ZINC000163814073 132124245 /nfs/dbraw/zinc/12/42/45/132124245.db2.gz ABJBKYGPCFBIJD-BSDSXHPESA-N 2 1 314.514 2.510 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000162594139 542737779 /nfs/dbraw/zinc/73/77/79/542737779.db2.gz GKRKXYHUKKAFKC-PBHICJAKSA-N 2 1 300.446 2.626 20 0 DFADMP c1cnn(Cc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166048141 542750441 /nfs/dbraw/zinc/75/04/41/542750441.db2.gz CFCKARABVQUEQN-RTBURBONSA-N 2 1 310.445 2.648 20 0 DFADMP c1cnn(Cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2)c1 ZINC000166253717 542750575 /nfs/dbraw/zinc/75/05/75/542750575.db2.gz PZPCYWNEAFUKHL-RTBURBONSA-N 2 1 310.445 2.648 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000166617639 542750997 /nfs/dbraw/zinc/75/09/97/542750997.db2.gz SYLOTTRMFZDQQB-CKEIUWERSA-N 2 1 323.431 2.784 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000166617639 542751000 /nfs/dbraw/zinc/75/10/00/542751000.db2.gz SYLOTTRMFZDQQB-CKEIUWERSA-N 2 1 323.431 2.784 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166728963 542751396 /nfs/dbraw/zinc/75/13/96/542751396.db2.gz MJQFPZXYPMGQCS-BZUAXINKSA-N 2 1 304.434 2.679 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]3CCCC[C@@H]32)CC1 ZINC000172243016 542758536 /nfs/dbraw/zinc/75/85/36/542758536.db2.gz FFJKDNPLMICDQL-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP COCCC[N@H+](C)CCOc1ccc(-c2c[nH+]c(C)n2C)cc1 ZINC000630050276 399801277 /nfs/dbraw/zinc/80/12/77/399801277.db2.gz DLGIHDWYKAKXSO-UHFFFAOYSA-N 2 1 317.433 2.743 20 0 DFADMP COCCC[N@@H+](C)CCOc1ccc(-c2c[nH+]c(C)n2C)cc1 ZINC000630050276 399801281 /nfs/dbraw/zinc/80/12/81/399801281.db2.gz DLGIHDWYKAKXSO-UHFFFAOYSA-N 2 1 317.433 2.743 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000177987983 542774321 /nfs/dbraw/zinc/77/43/21/542774321.db2.gz KHHHMFMZRKHPJW-OAHLLOKOSA-N 2 1 312.454 2.921 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCSc2c(F)cccc21 ZINC000177987983 542774325 /nfs/dbraw/zinc/77/43/25/542774325.db2.gz KHHHMFMZRKHPJW-OAHLLOKOSA-N 2 1 312.454 2.921 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178634872 542777454 /nfs/dbraw/zinc/77/74/54/542777454.db2.gz VOLZWNABQHGWMY-DNVCBOLYSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178634872 542777456 /nfs/dbraw/zinc/77/74/56/542777456.db2.gz VOLZWNABQHGWMY-DNVCBOLYSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178634872 542777457 /nfs/dbraw/zinc/77/74/57/542777457.db2.gz VOLZWNABQHGWMY-DNVCBOLYSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000178634872 542777460 /nfs/dbraw/zinc/77/74/60/542777460.db2.gz VOLZWNABQHGWMY-DNVCBOLYSA-N 2 1 310.445 2.854 20 0 DFADMP COc1cccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1F ZINC000192674772 542853270 /nfs/dbraw/zinc/85/32/70/542853270.db2.gz HYTRHRRCPQDOCQ-GASCZTMLSA-N 2 1 324.440 2.813 20 0 DFADMP CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236720110 542897017 /nfs/dbraw/zinc/89/70/17/542897017.db2.gz FLEVQMCMKULAAS-ZWKOTPCHSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC(C)(C)[NH3+])C1 ZINC000237553698 542904014 /nfs/dbraw/zinc/90/40/14/542904014.db2.gz NBTRFTOWKKLKRG-OAHLLOKOSA-N 2 1 317.477 2.662 20 0 DFADMP COc1cccc(C[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C2CC2)c1 ZINC000245560294 542916068 /nfs/dbraw/zinc/91/60/68/542916068.db2.gz UNIQIDBHUMLDEA-VQIMIIECSA-N 2 1 302.462 2.948 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cscc1Br ZINC000285556066 542998103 /nfs/dbraw/zinc/99/81/03/542998103.db2.gz VBHIPCZLXWJFOP-UHFFFAOYSA-N 2 1 300.225 2.805 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000295087455 543029770 /nfs/dbraw/zinc/02/97/70/543029770.db2.gz RTWQOPSIRVKHCF-RBUKOAKNSA-N 2 1 304.478 2.908 20 0 DFADMP CC[NH+](CC)CCN(CCc1c[nH+]cn1C)Cc1cccs1 ZINC000297610679 543040124 /nfs/dbraw/zinc/04/01/24/543040124.db2.gz GNXBHTQFQNDMQP-UHFFFAOYSA-N 2 1 320.506 2.868 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1 ZINC000297590127 543040251 /nfs/dbraw/zinc/04/02/51/543040251.db2.gz JDCWLHCYLHCOFH-DLBZAZTESA-N 2 1 321.371 2.831 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1 ZINC000317616431 543076162 /nfs/dbraw/zinc/07/61/62/543076162.db2.gz TUAIUNMGXSBWOM-QAPCUYQASA-N 2 1 306.450 2.913 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000322072425 543088196 /nfs/dbraw/zinc/08/81/96/543088196.db2.gz FUZHRGKWNBGDJB-RDJZCZTQSA-N 2 1 318.461 2.976 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000322072425 543088199 /nfs/dbraw/zinc/08/81/99/543088199.db2.gz FUZHRGKWNBGDJB-RDJZCZTQSA-N 2 1 318.461 2.976 20 0 DFADMP CCC[NH+]1CCC(N(C)C(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339269740 543142709 /nfs/dbraw/zinc/14/27/09/543142709.db2.gz KNFMXOUBQGKMOU-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP COCC[C@H](C)[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338634580 543137342 /nfs/dbraw/zinc/13/73/42/543137342.db2.gz XXMDIQSTUVONJA-GJZGRUSLSA-N 2 1 323.506 2.854 20 0 DFADMP COCC[C@H](C)[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338634580 543137345 /nfs/dbraw/zinc/13/73/45/543137345.db2.gz XXMDIQSTUVONJA-GJZGRUSLSA-N 2 1 323.506 2.854 20 0 DFADMP COCC[C@@H](C)[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338634579 543137440 /nfs/dbraw/zinc/13/74/40/543137440.db2.gz XXMDIQSTUVONJA-CABCVRRESA-N 2 1 323.506 2.854 20 0 DFADMP COCC[C@@H](C)[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338634579 543137442 /nfs/dbraw/zinc/13/74/42/543137442.db2.gz XXMDIQSTUVONJA-CABCVRRESA-N 2 1 323.506 2.854 20 0 DFADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070075 543139357 /nfs/dbraw/zinc/13/93/57/543139357.db2.gz WDQYRIPPTSVXSI-HKUYNNGSSA-N 2 1 310.445 2.631 20 0 DFADMP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)n1 ZINC000339067090 543140313 /nfs/dbraw/zinc/14/03/13/543140313.db2.gz FNLUZMGNTNHWFC-MNOVXSKESA-N 2 1 319.396 2.921 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348081056 543183193 /nfs/dbraw/zinc/18/31/93/543183193.db2.gz HXWBSKQTULKZPS-VQTJNVASSA-N 2 1 313.489 2.712 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348107902 543183291 /nfs/dbraw/zinc/18/32/91/543183291.db2.gz JOCJJEHHNNLSSP-MUGJNUQGSA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348107902 543183293 /nfs/dbraw/zinc/18/32/93/543183293.db2.gz JOCJJEHHNNLSSP-MUGJNUQGSA-N 2 1 314.473 2.648 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C)C[NH+](CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000353415558 543235318 /nfs/dbraw/zinc/23/53/18/543235318.db2.gz KRVVZALZJHARPZ-AEFFLSMTSA-N 2 1 319.493 2.744 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@H](C)C1 ZINC000358057144 543265390 /nfs/dbraw/zinc/26/53/90/543265390.db2.gz PFGZRODBBOXSJG-NZSAHSFTSA-N 2 1 304.478 2.548 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353988674 146861076 /nfs/dbraw/zinc/86/10/76/146861076.db2.gz WROAGVIRMRDTLN-MRXNPFEDSA-N 2 1 322.522 2.884 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000353988674 146861081 /nfs/dbraw/zinc/86/10/81/146861081.db2.gz WROAGVIRMRDTLN-MRXNPFEDSA-N 2 1 322.522 2.884 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000378897379 543296832 /nfs/dbraw/zinc/29/68/32/543296832.db2.gz DLOJXLDXTYGBSL-IPMKNSEASA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000398030430 543310801 /nfs/dbraw/zinc/31/08/01/543310801.db2.gz NEGYMYDQEUEEPH-JCHJZTRSSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000398030430 543310803 /nfs/dbraw/zinc/31/08/03/543310803.db2.gz NEGYMYDQEUEEPH-JCHJZTRSSA-N 2 1 302.462 2.790 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000167238947 145239006 /nfs/dbraw/zinc/23/90/06/145239006.db2.gz GYSOQPAECOEYPX-FUHWJXTLSA-N 2 1 320.477 2.840 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167238947 145239007 /nfs/dbraw/zinc/23/90/07/145239007.db2.gz GYSOQPAECOEYPX-FUHWJXTLSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000167146684 145239211 /nfs/dbraw/zinc/23/92/11/145239211.db2.gz WFVKUBBGTYXQGX-FUHWJXTLSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167146684 145239215 /nfs/dbraw/zinc/23/92/15/145239215.db2.gz WFVKUBBGTYXQGX-FUHWJXTLSA-N 2 1 320.477 2.840 20 0 DFADMP Cc1ccc([C@@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349489835 285872270 /nfs/dbraw/zinc/87/22/70/285872270.db2.gz AXHAEGLJMJNJQF-KDOFPFPSSA-N 2 1 305.466 2.655 20 0 DFADMP CC[N@H+]1CC[C@@H](NCc2cc(OC)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363872 145341584 /nfs/dbraw/zinc/34/15/84/145341584.db2.gz FNUFIDOCCURUKA-UKRRQHHQSA-N 2 1 322.449 2.532 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(OC)c(OC)c(OC)c2)[C@H](C)C1 ZINC000173363872 145341592 /nfs/dbraw/zinc/34/15/92/145341592.db2.gz FNUFIDOCCURUKA-UKRRQHHQSA-N 2 1 322.449 2.532 20 0 DFADMP Cn1cncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000174460456 145380454 /nfs/dbraw/zinc/38/04/54/145380454.db2.gz ZUWHQXSJPIWAFW-CJNGLKHVSA-N 2 1 304.463 2.654 20 0 DFADMP Cn1cncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000174460456 145380456 /nfs/dbraw/zinc/38/04/56/145380456.db2.gz ZUWHQXSJPIWAFW-CJNGLKHVSA-N 2 1 304.463 2.654 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000633318939 399886619 /nfs/dbraw/zinc/88/66/19/399886619.db2.gz FJMQIXZQXBTVBO-RCCFBDPRSA-N 2 1 315.461 2.904 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630510220 399896452 /nfs/dbraw/zinc/89/64/52/399896452.db2.gz UNQGVKNWOPDUBY-XJKSGUPXSA-N 2 1 309.417 2.536 20 0 DFADMP COCCc1ncc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)s1 ZINC000631109661 399982450 /nfs/dbraw/zinc/98/24/50/399982450.db2.gz ATUWQVFETRKMBR-CQSZACIVSA-N 2 1 311.495 2.686 20 0 DFADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631061200 399971937 /nfs/dbraw/zinc/97/19/37/399971937.db2.gz LTXLFJBPNUSYCV-INIZCTEOSA-N 2 1 319.493 2.984 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631061200 399971938 /nfs/dbraw/zinc/97/19/38/399971938.db2.gz LTXLFJBPNUSYCV-INIZCTEOSA-N 2 1 319.493 2.984 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnn1CC1CCC1 ZINC000631065471 399973101 /nfs/dbraw/zinc/97/31/01/399973101.db2.gz ZAERRECGIANMGE-AWEZNQCLSA-N 2 1 301.438 2.614 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000681260686 545619468 /nfs/dbraw/zinc/61/94/68/545619468.db2.gz BTTUNJHILNPJDB-DZGCQCFKSA-N 2 1 306.454 2.522 20 0 DFADMP Cc1ccc([C@H](C)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000628184018 399997203 /nfs/dbraw/zinc/99/72/03/399997203.db2.gz XFCCYSABRHLENT-MSOLQXFVSA-N 2 1 302.462 2.753 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2ccc(F)c(F)c2N(C)C)CC[N@H+]1C ZINC000628183776 399997479 /nfs/dbraw/zinc/99/74/79/399997479.db2.gz MXZJNYXREVRBIR-JSGCOSHPSA-N 2 1 311.420 2.945 20 0 DFADMP CCc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195225 400000628 /nfs/dbraw/zinc/00/06/28/400000628.db2.gz UUMSUWRFTJRLDH-APWZRJJASA-N 2 1 324.472 2.897 20 0 DFADMP CCc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195225 400000629 /nfs/dbraw/zinc/00/06/29/400000629.db2.gz UUMSUWRFTJRLDH-APWZRJJASA-N 2 1 324.472 2.897 20 0 DFADMP CCn1nccc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195325 400000921 /nfs/dbraw/zinc/00/09/21/400000921.db2.gz FEBVXIWLSALHAZ-WMZOPIPTSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1nccc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195325 400000923 /nfs/dbraw/zinc/00/09/23/400000923.db2.gz FEBVXIWLSALHAZ-WMZOPIPTSA-N 2 1 312.461 2.761 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C[C@]3(C)CCCS3)C2)nc(C)[nH+]1 ZINC000628212814 400002502 /nfs/dbraw/zinc/00/25/02/400002502.db2.gz HXKACIVFQYZDTQ-RDJZCZTQSA-N 2 1 320.506 2.938 20 0 DFADMP Cc1cc(N2CCC([NH2+]C[C@@]3(C)CCCS3)CC2)nc(C)[nH+]1 ZINC000628233614 400005075 /nfs/dbraw/zinc/00/50/75/400005075.db2.gz MJUKZOBZLYHZGJ-QGZVFWFLSA-N 2 1 320.506 2.938 20 0 DFADMP O[C@@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000631217211 400006356 /nfs/dbraw/zinc/00/63/56/400006356.db2.gz VLQBXVIVNXJQMQ-HOTGVXAUSA-N 2 1 324.415 2.789 20 0 DFADMP O[C@@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000631217211 400006358 /nfs/dbraw/zinc/00/63/58/400006358.db2.gz VLQBXVIVNXJQMQ-HOTGVXAUSA-N 2 1 324.415 2.789 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1(C)C ZINC000628311486 400018589 /nfs/dbraw/zinc/01/85/89/400018589.db2.gz NXCMKXDIRYGGLH-CMPFZWEDSA-N 2 1 306.494 2.636 20 0 DFADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631565846 400051708 /nfs/dbraw/zinc/05/17/08/400051708.db2.gz JLVNQRYMXRVADL-SFHVURJKSA-N 2 1 318.509 2.848 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000631566137 400052165 /nfs/dbraw/zinc/05/21/65/400052165.db2.gz LQYCFQYJOHRDAV-YOEHRIQHSA-N 2 1 316.445 2.983 20 0 DFADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc(C)ccn1 ZINC000631578140 400053728 /nfs/dbraw/zinc/05/37/28/400053728.db2.gz PBRQVJGSBZFUQY-SFHVURJKSA-N 2 1 318.509 2.848 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601751 400057249 /nfs/dbraw/zinc/05/72/49/400057249.db2.gz VKJGFHHWQLKSBM-OWSLCNJRSA-N 2 1 306.494 2.902 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000631659267 400063041 /nfs/dbraw/zinc/06/30/41/400063041.db2.gz KRPYSMNFTHRJEF-PVXIVEMSSA-N 2 1 314.832 2.975 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](CCO)c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000631659267 400063042 /nfs/dbraw/zinc/06/30/42/400063042.db2.gz KRPYSMNFTHRJEF-PVXIVEMSSA-N 2 1 314.832 2.975 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000631661627 400063499 /nfs/dbraw/zinc/06/34/99/400063499.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631661627 400063500 /nfs/dbraw/zinc/06/35/00/400063500.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631661627 400063501 /nfs/dbraw/zinc/06/35/01/400063501.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000631661627 400063502 /nfs/dbraw/zinc/06/35/02/400063502.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[NH+](C)[C@H](C)C1 ZINC000631661627 400063503 /nfs/dbraw/zinc/06/35/03/400063503.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631661627 400063504 /nfs/dbraw/zinc/06/35/04/400063504.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631661627 400063505 /nfs/dbraw/zinc/06/35/05/400063505.db2.gz AMRKBJGQDQGLIO-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CC1 ZINC000631681475 400065618 /nfs/dbraw/zinc/06/56/18/400065618.db2.gz ZHNZABMOBYZXNS-HKUYNNGSSA-N 2 1 324.509 2.551 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c2c(c1)COCC2 ZINC000631822751 400077714 /nfs/dbraw/zinc/07/77/14/400077714.db2.gz NDCRQMIYYGSIQC-LPHOPBHVSA-N 2 1 300.446 2.723 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631827481 400078004 /nfs/dbraw/zinc/07/80/04/400078004.db2.gz PDDSSEDFMQJGCH-HOTGVXAUSA-N 2 1 300.446 2.581 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(Cl)cc(Cl)c1F ZINC000631830590 400078346 /nfs/dbraw/zinc/07/83/46/400078346.db2.gz WQHJNNZLNHJQSX-UHFFFAOYSA-N 2 1 309.212 2.800 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc(Cl)c1F ZINC000631830590 400078347 /nfs/dbraw/zinc/07/83/47/400078347.db2.gz WQHJNNZLNHJQSX-UHFFFAOYSA-N 2 1 309.212 2.800 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000631839628 400078925 /nfs/dbraw/zinc/07/89/25/400078925.db2.gz IQJIPHINFOBDGT-RDJZCZTQSA-N 2 1 311.429 2.687 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236799277 146027715 /nfs/dbraw/zinc/02/77/15/146027715.db2.gz RRXKFJYCNRIYSC-RDJZCZTQSA-N 2 1 305.466 2.531 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237053391 146036391 /nfs/dbraw/zinc/03/63/91/146036391.db2.gz RFCSKJMOFFVCGJ-MAUKXSAKSA-N 2 1 309.498 2.535 20 0 DFADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237053226 146036453 /nfs/dbraw/zinc/03/64/53/146036453.db2.gz OKEMFUPVRKSANY-RDJZCZTQSA-N 2 1 317.477 2.703 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000237053226 146036455 /nfs/dbraw/zinc/03/64/55/146036455.db2.gz OKEMFUPVRKSANY-RDJZCZTQSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245569294 146085697 /nfs/dbraw/zinc/08/56/97/146085697.db2.gz AMBRRVRRIJRYSO-AQNCSGRASA-N 2 1 323.431 2.782 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245569294 146085699 /nfs/dbraw/zinc/08/56/99/146085699.db2.gz AMBRRVRRIJRYSO-AQNCSGRASA-N 2 1 323.431 2.782 20 0 DFADMP CN(CC[C@@H]1CCC[N@H+]1C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000245622108 146088587 /nfs/dbraw/zinc/08/85/87/146088587.db2.gz OAQYKTSYCAFKEK-UXHICEINSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@@H]1CCC[NH+]1C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000245622108 146088589 /nfs/dbraw/zinc/08/85/89/146088589.db2.gz OAQYKTSYCAFKEK-UXHICEINSA-N 2 1 315.505 2.925 20 0 DFADMP CN(CC[C@@H]1CCC[NH+]1C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000245622108 146088592 /nfs/dbraw/zinc/08/85/92/146088592.db2.gz OAQYKTSYCAFKEK-UXHICEINSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@H](c1ccc([S@@](C)=O)cc1)N(C)CC[C@H]1CCC[N@H+]1C ZINC000245724570 146098396 /nfs/dbraw/zinc/09/83/96/146098396.db2.gz VCGHUGUDXLZQGY-IUSZMWJPSA-N 2 1 308.491 2.901 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000246754150 146155664 /nfs/dbraw/zinc/15/56/64/146155664.db2.gz GAFYSYDFSYTJDD-HOTGVXAUSA-N 2 1 317.477 2.598 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000247136932 146163570 /nfs/dbraw/zinc/16/35/70/146163570.db2.gz SAUKSCYLXPYVBL-GJZGRUSLSA-N 2 1 300.450 2.815 20 0 DFADMP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248814329 146171322 /nfs/dbraw/zinc/17/13/22/146171322.db2.gz DDQCJGCCMBMDJP-GJZGRUSLSA-N 2 1 307.438 2.776 20 0 DFADMP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248814329 146171325 /nfs/dbraw/zinc/17/13/25/146171325.db2.gz DDQCJGCCMBMDJP-GJZGRUSLSA-N 2 1 307.438 2.776 20 0 DFADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1c(F)cccc1F ZINC000248997835 146180982 /nfs/dbraw/zinc/18/09/82/146180982.db2.gz PNKVJIVNQUTWCE-DSZSVDOYSA-N 2 1 323.431 2.782 20 0 DFADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1c(F)cccc1F ZINC000248997835 146180984 /nfs/dbraw/zinc/18/09/84/146180984.db2.gz PNKVJIVNQUTWCE-DSZSVDOYSA-N 2 1 323.431 2.782 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249055814 146184075 /nfs/dbraw/zinc/18/40/75/146184075.db2.gz YPMWJLDQCMXVIW-RTBURBONSA-N 2 1 316.445 2.560 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249055814 146184076 /nfs/dbraw/zinc/18/40/76/146184076.db2.gz YPMWJLDQCMXVIW-RTBURBONSA-N 2 1 316.445 2.560 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000249038464 146184620 /nfs/dbraw/zinc/18/46/20/146184620.db2.gz GKESKQXWQQGAHL-UHZRXMQZSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000249099390 146187011 /nfs/dbraw/zinc/18/70/11/146187011.db2.gz NGPJGKFKVHNQNT-BHIYHBOVSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000249099390 146187012 /nfs/dbraw/zinc/18/70/12/146187012.db2.gz NGPJGKFKVHNQNT-BHIYHBOVSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000249099390 146187013 /nfs/dbraw/zinc/18/70/13/146187013.db2.gz NGPJGKFKVHNQNT-BHIYHBOVSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000249099390 146187014 /nfs/dbraw/zinc/18/70/14/146187014.db2.gz NGPJGKFKVHNQNT-BHIYHBOVSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000249099390 146187015 /nfs/dbraw/zinc/18/70/15/146187015.db2.gz NGPJGKFKVHNQNT-BHIYHBOVSA-N 2 1 313.489 2.723 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1ccsc1 ZINC000453120319 543371004 /nfs/dbraw/zinc/37/10/04/543371004.db2.gz WLFYGTWOGPMJFB-INIZCTEOSA-N 2 1 323.506 2.732 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000453328209 543371400 /nfs/dbraw/zinc/37/14/00/543371400.db2.gz BTTHSDCYVMROIJ-ZSYWTGECSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000453328209 543371401 /nfs/dbraw/zinc/37/14/01/543371401.db2.gz BTTHSDCYVMROIJ-ZSYWTGECSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000249615392 146202466 /nfs/dbraw/zinc/20/24/66/146202466.db2.gz OXGFUDFMGQIQAQ-RWQQGDIJSA-N 2 1 304.478 2.689 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000252895747 146224059 /nfs/dbraw/zinc/22/40/59/146224059.db2.gz ZPNYAMKXRKBFSY-MWLCHTKSSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1csc(Br)c1 ZINC000252895747 146224062 /nfs/dbraw/zinc/22/40/62/146224062.db2.gz ZPNYAMKXRKBFSY-MWLCHTKSSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000252894018 146224159 /nfs/dbraw/zinc/22/41/59/146224159.db2.gz SPHSRWHSGYYYHG-BXKDBHETSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000252894018 146224161 /nfs/dbraw/zinc/22/41/61/146224161.db2.gz SPHSRWHSGYYYHG-BXKDBHETSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532489 146238588 /nfs/dbraw/zinc/23/85/88/146238588.db2.gz AJILRXROTUFREI-JCHJZTRSSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532489 146238589 /nfs/dbraw/zinc/23/85/89/146238589.db2.gz AJILRXROTUFREI-JCHJZTRSSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532489 146238592 /nfs/dbraw/zinc/23/85/92/146238592.db2.gz AJILRXROTUFREI-JCHJZTRSSA-N 3 1 301.478 2.757 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Br)cs3)C[C@H]12 ZINC000261577038 146242006 /nfs/dbraw/zinc/24/20/06/146242006.db2.gz KUWXTELTBSUVDM-KPXOXKRLSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Br)cs3)C[C@H]12 ZINC000261577038 146242010 /nfs/dbraw/zinc/24/20/10/146242010.db2.gz KUWXTELTBSUVDM-KPXOXKRLSA-N 2 1 301.253 2.680 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000261601726 146243921 /nfs/dbraw/zinc/24/39/21/146243921.db2.gz AGMRQVAOOFFIGE-IBGZPJMESA-N 2 1 311.429 2.831 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261640788 146252478 /nfs/dbraw/zinc/25/24/78/146252478.db2.gz DBULAEBYZHBORO-QGZVFWFLSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@]1(C[N@H+](Cc2ccccc2)CC2CCOCC2)CC[NH2+]C1 ZINC000261684015 146259122 /nfs/dbraw/zinc/25/91/22/146259122.db2.gz ANGVLLPQDNYDPC-IBGZPJMESA-N 2 1 302.462 2.915 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000261710946 146263997 /nfs/dbraw/zinc/26/39/97/146263997.db2.gz PBTGIHRLJJOZKX-WCFLWFBJSA-N 2 1 310.825 2.526 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000261710946 146264000 /nfs/dbraw/zinc/26/40/00/146264000.db2.gz PBTGIHRLJJOZKX-WCFLWFBJSA-N 2 1 310.825 2.526 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000261754635 146270660 /nfs/dbraw/zinc/27/06/60/146270660.db2.gz PHRROGLSCGGQBM-KRWDZBQOSA-N 2 1 315.461 2.706 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)C1 ZINC000261749171 146271192 /nfs/dbraw/zinc/27/11/92/146271192.db2.gz CAZFSBQDRMJDET-NSHDSACASA-N 2 1 324.350 2.876 20 0 DFADMP c1cn(-c2ccccc2)nc1C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261769525 146272999 /nfs/dbraw/zinc/27/29/99/146272999.db2.gz QPKDFOVYRYKIOS-IBGZPJMESA-N 2 1 310.445 2.836 20 0 DFADMP Cc1ncsc1C[N@@H+](C[C@H]1CC[NH2+]C1)C[C@@H]1CCSC1 ZINC000261773882 146274884 /nfs/dbraw/zinc/27/48/84/146274884.db2.gz DWMPHOOYHGCILN-KBPBESRZSA-N 2 1 311.520 2.616 20 0 DFADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261773583 146275096 /nfs/dbraw/zinc/27/50/96/146275096.db2.gz WEQJVOCDZYSSLM-IRXDYDNUSA-N 2 1 307.869 2.771 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000261816886 146281491 /nfs/dbraw/zinc/28/14/91/146281491.db2.gz GZBZZOFBMVFKEQ-SNRMKQJTSA-N 2 1 318.461 2.913 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000261941275 146306048 /nfs/dbraw/zinc/30/60/48/146306048.db2.gz LMLHYNNKHFUFFJ-LBPRGKRZSA-N 2 1 320.824 2.951 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)CC[NH2+]C1 ZINC000261964130 146310058 /nfs/dbraw/zinc/31/00/58/146310058.db2.gz HOOLKLQDQGQYHS-FZMZJTMJSA-N 2 1 316.371 2.608 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261980484 146315177 /nfs/dbraw/zinc/31/51/77/146315177.db2.gz AJRMRYWQNPDWOL-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261980484 146315179 /nfs/dbraw/zinc/31/51/79/146315179.db2.gz AJRMRYWQNPDWOL-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261990432 146317087 /nfs/dbraw/zinc/31/70/87/146317087.db2.gz KEORQTYTBAMHJS-SJLPKXTDSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)c1 ZINC000261990432 146317093 /nfs/dbraw/zinc/31/70/93/146317093.db2.gz KEORQTYTBAMHJS-SJLPKXTDSA-N 2 1 304.434 2.840 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000261985724 146317690 /nfs/dbraw/zinc/31/76/90/146317690.db2.gz SCOYXOXCWUMRRP-UHOSZYNNSA-N 2 1 314.473 2.773 20 0 DFADMP COc1ccc2nc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)sc2c1 ZINC000262005164 146321068 /nfs/dbraw/zinc/32/10/68/146321068.db2.gz UNDGBUNMQKZDJQ-LBPRGKRZSA-N 2 1 305.447 2.866 20 0 DFADMP C[C@@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1Cc1ccccc1 ZINC000262014962 146322124 /nfs/dbraw/zinc/32/21/24/146322124.db2.gz VPRKJQXDSGLVAM-SJORKVTESA-N 2 1 301.478 2.581 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@@H]2CC[NH3+])ccc1OC(F)F ZINC000262020013 146323723 /nfs/dbraw/zinc/32/37/23/146323723.db2.gz XNGPTQRSQVOBGJ-CYBMUJFWSA-N 2 1 314.376 3.000 20 0 DFADMP Fc1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000262102675 146332839 /nfs/dbraw/zinc/33/28/39/146332839.db2.gz JCUAHNAMJRWBDX-UHFFFAOYSA-N 2 1 312.816 2.933 20 0 DFADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000262134635 146337797 /nfs/dbraw/zinc/33/77/97/146337797.db2.gz YPUDOVCTXPFNBY-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)nc1 ZINC000262134635 146337799 /nfs/dbraw/zinc/33/77/99/146337799.db2.gz YPUDOVCTXPFNBY-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262170096 146339857 /nfs/dbraw/zinc/33/98/57/146339857.db2.gz VAFNBIWCDCLYRQ-VQIMIIECSA-N 2 1 318.461 2.805 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262458969 146362393 /nfs/dbraw/zinc/36/23/93/146362393.db2.gz IKWROASKIUVHAX-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000262458969 146362395 /nfs/dbraw/zinc/36/23/95/146362395.db2.gz IKWROASKIUVHAX-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC(F)F ZINC000262562278 146372967 /nfs/dbraw/zinc/37/29/67/146372967.db2.gz VTDTYMWFMUDPJY-CYBMUJFWSA-N 2 1 314.376 2.871 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000354408077 147025285 /nfs/dbraw/zinc/02/52/85/147025285.db2.gz LFFRPFOJIFHJBP-APWZRJJASA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000354408077 147025288 /nfs/dbraw/zinc/02/52/88/147025288.db2.gz LFFRPFOJIFHJBP-APWZRJJASA-N 2 1 302.462 2.792 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC000354571488 147082773 /nfs/dbraw/zinc/08/27/73/147082773.db2.gz QBZLKGWBBBWEHK-NXOAAHMSSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC000354571488 147082779 /nfs/dbraw/zinc/08/27/79/147082779.db2.gz QBZLKGWBBBWEHK-NXOAAHMSSA-N 2 1 310.482 2.674 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000354661318 147107788 /nfs/dbraw/zinc/10/77/88/147107788.db2.gz NTXMIMSYLQDTHO-OKZBNKHCSA-N 2 1 323.525 2.876 20 0 DFADMP CC(C)[C@H]1CCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354814128 147160895 /nfs/dbraw/zinc/16/08/95/147160895.db2.gz FBFIGJPLMNGZRF-QZTJIDSGSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)CC[NH+]1C ZINC000354886811 147189971 /nfs/dbraw/zinc/18/99/71/147189971.db2.gz QGFCHGWCLOOKEV-CVEARBPZSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC[NH+]1C ZINC000354886811 147189975 /nfs/dbraw/zinc/18/99/75/147189975.db2.gz QGFCHGWCLOOKEV-CVEARBPZSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000355213567 147225056 /nfs/dbraw/zinc/22/50/56/147225056.db2.gz FKGMNOPPAKKVNG-YVWKXTFCSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355213567 147225059 /nfs/dbraw/zinc/22/50/59/147225059.db2.gz FKGMNOPPAKKVNG-YVWKXTFCSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213567 147225063 /nfs/dbraw/zinc/22/50/63/147225063.db2.gz FKGMNOPPAKKVNG-YVWKXTFCSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000355213567 147225067 /nfs/dbraw/zinc/22/50/67/147225067.db2.gz FKGMNOPPAKKVNG-YVWKXTFCSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355213567 147225068 /nfs/dbraw/zinc/22/50/68/147225068.db2.gz FKGMNOPPAKKVNG-YVWKXTFCSA-N 2 1 313.489 2.581 20 0 DFADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000355217469 147226492 /nfs/dbraw/zinc/22/64/92/147226492.db2.gz HFOFWSAQVBRIME-ZIFCJYIRSA-N 2 1 318.461 2.687 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc3c(cc2OC)OCO3)[C@H](C)C1 ZINC000355359642 147282823 /nfs/dbraw/zinc/28/28/23/147282823.db2.gz SDHSMLZFPLIANQ-UKRRQHHQSA-N 2 1 320.433 2.586 20 0 DFADMP COC[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094106 543460085 /nfs/dbraw/zinc/46/00/85/543460085.db2.gz BJGTVVOVIZOGFM-NEWSRXKRSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094106 543460089 /nfs/dbraw/zinc/46/00/89/543460089.db2.gz BJGTVVOVIZOGFM-NEWSRXKRSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094106 543460092 /nfs/dbraw/zinc/46/00/92/543460092.db2.gz BJGTVVOVIZOGFM-NEWSRXKRSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094106 543460095 /nfs/dbraw/zinc/46/00/95/543460095.db2.gz BJGTVVOVIZOGFM-NEWSRXKRSA-N 2 1 320.477 2.633 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)Nc1cncc(-n2ccnc2C)n1 ZINC000357586785 148048671 /nfs/dbraw/zinc/04/86/71/148048671.db2.gz YUHCKDXNIVIARS-ZDUSSCGKSA-N 2 1 302.426 2.503 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000357586785 148048674 /nfs/dbraw/zinc/04/86/74/148048674.db2.gz YUHCKDXNIVIARS-ZDUSSCGKSA-N 2 1 302.426 2.503 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000357586785 148048678 /nfs/dbraw/zinc/04/86/78/148048678.db2.gz YUHCKDXNIVIARS-ZDUSSCGKSA-N 2 1 302.426 2.503 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000350152661 286011940 /nfs/dbraw/zinc/01/19/40/286011940.db2.gz ZAAATZMYVPSZJP-UHFFFAOYSA-N 2 1 316.474 2.979 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000357811139 148132374 /nfs/dbraw/zinc/13/23/74/148132374.db2.gz CZNVQEYLWQTXRY-UHFFFAOYSA-N 2 1 320.481 2.635 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000358002959 148207238 /nfs/dbraw/zinc/20/72/38/148207238.db2.gz HZLOETWZCIEOSZ-SCTDSRPQSA-N 2 1 312.461 2.772 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000358002959 148207244 /nfs/dbraw/zinc/20/72/44/148207244.db2.gz HZLOETWZCIEOSZ-SCTDSRPQSA-N 2 1 312.461 2.772 20 0 DFADMP CO[C@@](C)(C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000638006214 543496621 /nfs/dbraw/zinc/49/66/21/543496621.db2.gz GBFSGSIZJNSXTF-QAPCUYQASA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000638006214 543496623 /nfs/dbraw/zinc/49/66/23/543496623.db2.gz GBFSGSIZJNSXTF-QAPCUYQASA-N 2 1 303.450 2.939 20 0 DFADMP C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358110571 148247660 /nfs/dbraw/zinc/24/76/60/148247660.db2.gz KNCBUJHRUZGCQF-VVLHAWIVSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110571 148247665 /nfs/dbraw/zinc/24/76/65/148247665.db2.gz KNCBUJHRUZGCQF-VVLHAWIVSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110571 148247670 /nfs/dbraw/zinc/24/76/70/148247670.db2.gz KNCBUJHRUZGCQF-VVLHAWIVSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC000358228291 148293698 /nfs/dbraw/zinc/29/36/98/148293698.db2.gz FJIIDPYFFYHLNG-LAUBAEHRSA-N 2 1 324.468 2.863 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C(c1ccccc1)c1ccccc1 ZINC000358228291 148293701 /nfs/dbraw/zinc/29/37/01/148293701.db2.gz FJIIDPYFFYHLNG-LAUBAEHRSA-N 2 1 324.468 2.863 20 0 DFADMP Cn1cc(-c2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)cn1 ZINC000358238246 148298975 /nfs/dbraw/zinc/29/89/75/148298975.db2.gz FBZPDZPDDUAFOT-OALUTQOASA-N 2 1 310.445 2.804 20 0 DFADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358255541 148305685 /nfs/dbraw/zinc/30/56/85/148305685.db2.gz RBXOXYOCQBFWJF-MOPGFXCFSA-N 2 1 320.477 2.829 20 0 DFADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358255541 148305688 /nfs/dbraw/zinc/30/56/88/148305688.db2.gz RBXOXYOCQBFWJF-MOPGFXCFSA-N 2 1 320.477 2.829 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccncc2C)[C@H](C)C1 ZINC000358253398 148305726 /nfs/dbraw/zinc/30/57/26/148305726.db2.gz OZNJBOKZOKVNSD-MJGOQNOKSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000358283621 148318301 /nfs/dbraw/zinc/31/83/01/148318301.db2.gz GLVNJPFCUIWIQX-GXFFZTMASA-N 2 1 318.248 2.697 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1F ZINC000358502023 148379504 /nfs/dbraw/zinc/37/95/04/148379504.db2.gz UQXSWOPLCRIMTQ-CQSZACIVSA-N 2 1 319.424 2.537 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358522230 148381456 /nfs/dbraw/zinc/38/14/56/148381456.db2.gz ZRKWVOUYFNLRNC-UHFFFAOYSA-N 2 1 304.434 2.540 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000650709110 543512543 /nfs/dbraw/zinc/51/25/43/543512543.db2.gz BXWLOAPMBSQPAI-LPHOPBHVSA-N 2 1 324.428 2.830 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000660007457 543524238 /nfs/dbraw/zinc/52/42/38/543524238.db2.gz KPFMSPMWNJCFRJ-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cn(C)cn2)CC1 ZINC000660007457 543524239 /nfs/dbraw/zinc/52/42/39/543524239.db2.gz KPFMSPMWNJCFRJ-MRXNPFEDSA-N 2 1 304.482 2.897 20 0 DFADMP Cn1nc2c(c1C[NH2+]C1CC[NH+](C3CCCC3)CC1)CCCC2 ZINC000361002166 149005014 /nfs/dbraw/zinc/00/50/14/149005014.db2.gz IGZXXGPSXKFFOE-UHFFFAOYSA-N 2 1 316.493 2.796 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C3CC3)C2)[C@@H](C)C1 ZINC000361025602 149011372 /nfs/dbraw/zinc/01/13/72/149011372.db2.gz NLHPXRXFTMBPMY-WZGPROSRSA-N 2 1 324.509 2.671 20 0 DFADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000361176902 149047771 /nfs/dbraw/zinc/04/77/71/149047771.db2.gz XTXNAXBJVKWJQR-IAGOWNOFSA-N 2 1 317.477 2.541 20 0 DFADMP C[C@H]1C[C@@H](NCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000361345140 149092128 /nfs/dbraw/zinc/09/21/28/149092128.db2.gz YCOYGDSWPOQKAV-HKUYNNGSSA-N 2 1 301.478 2.725 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000361419681 149109655 /nfs/dbraw/zinc/10/96/55/149109655.db2.gz GLBOTTQYLKHEDJ-UXDRXVOSSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000361482702 149126679 /nfs/dbraw/zinc/12/66/79/149126679.db2.gz YNMRYZJUIQADCK-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000361482702 149126681 /nfs/dbraw/zinc/12/66/81/149126681.db2.gz YNMRYZJUIQADCK-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361482702 149126682 /nfs/dbraw/zinc/12/66/82/149126682.db2.gz YNMRYZJUIQADCK-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000361482702 149126684 /nfs/dbraw/zinc/12/66/84/149126684.db2.gz YNMRYZJUIQADCK-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000361482702 149126686 /nfs/dbraw/zinc/12/66/86/149126686.db2.gz YNMRYZJUIQADCK-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccsc2Cl)CC1 ZINC000361557376 149147566 /nfs/dbraw/zinc/14/75/66/149147566.db2.gz QMOKWHHXHMOACW-LBPRGKRZSA-N 2 1 316.898 2.926 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000361730168 149203954 /nfs/dbraw/zinc/20/39/54/149203954.db2.gz WQTWKWAJDCGXPT-XHDPSFHLSA-N 2 1 318.396 2.624 20 0 DFADMP CSc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000350947840 286101264 /nfs/dbraw/zinc/10/12/64/286101264.db2.gz GGSFKPZHSNRYAE-UHFFFAOYSA-N 2 1 321.490 2.621 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(-c2cccs2)n1 ZINC000362652261 149334423 /nfs/dbraw/zinc/33/44/23/149334423.db2.gz CSNKTKIJEKKVCH-HUUCEWRRSA-N 2 1 316.474 2.865 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(-c2cccs2)n1 ZINC000362652261 149334425 /nfs/dbraw/zinc/33/44/25/149334425.db2.gz CSNKTKIJEKKVCH-HUUCEWRRSA-N 2 1 316.474 2.865 20 0 DFADMP CCc1nocc1C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000351112816 286110325 /nfs/dbraw/zinc/11/03/25/286110325.db2.gz WKVPZVMQHZMHSR-CQSZACIVSA-N 2 1 300.406 2.874 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@H]12 ZINC000351482086 286131485 /nfs/dbraw/zinc/13/14/85/286131485.db2.gz YRPTZAOEFDLTAL-VHDGCEQUSA-N 2 1 314.351 2.797 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@@H]12 ZINC000351482085 286131545 /nfs/dbraw/zinc/13/15/45/286131545.db2.gz YRPTZAOEFDLTAL-NWANDNLSSA-N 2 1 314.351 2.797 20 0 DFADMP CN(C[C@@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441791 286126458 /nfs/dbraw/zinc/12/64/58/286126458.db2.gz JZIMXFCPHUILMD-HXUWFJFHSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441791 286126460 /nfs/dbraw/zinc/12/64/60/286126460.db2.gz JZIMXFCPHUILMD-HXUWFJFHSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441791 286126462 /nfs/dbraw/zinc/12/64/62/286126462.db2.gz JZIMXFCPHUILMD-HXUWFJFHSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441791 286126464 /nfs/dbraw/zinc/12/64/64/286126464.db2.gz JZIMXFCPHUILMD-HXUWFJFHSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441791 286126465 /nfs/dbraw/zinc/12/64/65/286126465.db2.gz JZIMXFCPHUILMD-HXUWFJFHSA-N 2 1 316.489 2.929 20 0 DFADMP CN(C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493279 286134720 /nfs/dbraw/zinc/13/47/20/286134720.db2.gz VFPPJOVIDRKTLQ-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493279 286134722 /nfs/dbraw/zinc/13/47/22/286134722.db2.gz VFPPJOVIDRKTLQ-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493279 286134724 /nfs/dbraw/zinc/13/47/24/286134724.db2.gz VFPPJOVIDRKTLQ-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351493279 286134726 /nfs/dbraw/zinc/13/47/26/286134726.db2.gz VFPPJOVIDRKTLQ-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500730 286137068 /nfs/dbraw/zinc/13/70/68/286137068.db2.gz XGAHIAJOZQGQCT-NXNVCVFFSA-N 2 1 315.461 2.806 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351500730 286137069 /nfs/dbraw/zinc/13/70/69/286137069.db2.gz XGAHIAJOZQGQCT-NXNVCVFFSA-N 2 1 315.461 2.806 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351510956 286140081 /nfs/dbraw/zinc/14/00/81/286140081.db2.gz AXRAJQBBWQMDQD-COXVUDFISA-N 2 1 306.450 2.816 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)CC[N@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351510956 286140083 /nfs/dbraw/zinc/14/00/83/286140083.db2.gz AXRAJQBBWQMDQD-COXVUDFISA-N 2 1 306.450 2.816 20 0 DFADMP CC[C@@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351544065 286148447 /nfs/dbraw/zinc/14/84/47/286148447.db2.gz UFIYLWBYSFVKDY-HKUYNNGSSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@@H](Cc1ccccc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351544065 286148448 /nfs/dbraw/zinc/14/84/48/286148448.db2.gz UFIYLWBYSFVKDY-HKUYNNGSSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@@H](Cc1ccccc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351544065 286148449 /nfs/dbraw/zinc/14/84/49/286148449.db2.gz UFIYLWBYSFVKDY-HKUYNNGSSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@@H](Cc1ccccc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351544065 286148450 /nfs/dbraw/zinc/14/84/50/286148450.db2.gz UFIYLWBYSFVKDY-HKUYNNGSSA-N 2 1 304.478 2.785 20 0 DFADMP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371196062 150001054 /nfs/dbraw/zinc/00/10/54/150001054.db2.gz BPOKYCBBLWLROF-WOJBJXKFSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C/c1ccccc1 ZINC000371294484 150018158 /nfs/dbraw/zinc/01/81/58/150018158.db2.gz LCRYSKFXBYWWCL-BCKYCOLUSA-N 2 1 300.446 2.883 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C/c1ccccc1 ZINC000371294484 150018161 /nfs/dbraw/zinc/01/81/61/150018161.db2.gz LCRYSKFXBYWWCL-BCKYCOLUSA-N 2 1 300.446 2.883 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)ccc1F ZINC000371337127 150026979 /nfs/dbraw/zinc/02/69/79/150026979.db2.gz SHTYVQLTBZWFHB-GOSISDBHSA-N 2 1 319.468 2.734 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CCCN(c2cncc(F)c2)CC1 ZINC000371363459 150031601 /nfs/dbraw/zinc/03/16/01/150031601.db2.gz FDRRPLDZNVKHRK-QGZVFWFLSA-N 2 1 320.456 2.607 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363459 150031605 /nfs/dbraw/zinc/03/16/05/150031605.db2.gz FDRRPLDZNVKHRK-QGZVFWFLSA-N 2 1 320.456 2.607 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363459 150031609 /nfs/dbraw/zinc/03/16/09/150031609.db2.gz FDRRPLDZNVKHRK-QGZVFWFLSA-N 2 1 320.456 2.607 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(c2cncc(F)c2)CC1 ZINC000371363459 150031613 /nfs/dbraw/zinc/03/16/13/150031613.db2.gz FDRRPLDZNVKHRK-QGZVFWFLSA-N 2 1 320.456 2.607 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1c(C3CC3)nc3sccn13)C2 ZINC000371424158 150045574 /nfs/dbraw/zinc/04/55/74/150045574.db2.gz MMEFZCAGIPAFCC-GFCCVEGCSA-N 2 1 313.430 2.574 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000371449760 150049311 /nfs/dbraw/zinc/04/93/11/150049311.db2.gz XAUJUIISCPFAMS-QDIHITRGSA-N 2 1 304.438 2.621 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000371879690 150108208 /nfs/dbraw/zinc/10/82/08/150108208.db2.gz JYQFKQQGLIZVAK-IRXDYDNUSA-N 2 1 315.461 2.870 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1(c2ccccc2)CCCC1 ZINC000351583682 286160026 /nfs/dbraw/zinc/16/00/26/286160026.db2.gz VESVIGCPJNGKHW-VQIMIIECSA-N 2 1 316.489 2.932 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1(c2ccccc2)CCCC1 ZINC000351583682 286160028 /nfs/dbraw/zinc/16/00/28/286160028.db2.gz VESVIGCPJNGKHW-VQIMIIECSA-N 2 1 316.489 2.932 20 0 DFADMP Cc1cc(NC(=O)[C@@H]2CCC[N@H+]2Cc2ccccc2)c(C)cn1 ZINC000372164963 150144658 /nfs/dbraw/zinc/14/46/58/150144658.db2.gz OGGFTMWZBOQDOK-SFHVURJKSA-N 2 1 309.413 2.723 20 0 DFADMP Cc1cc(NC(=O)[C@@H]2CCCN2Cc2ccccc2)c(C)cn1 ZINC000372164963 150144661 /nfs/dbraw/zinc/14/46/61/150144661.db2.gz OGGFTMWZBOQDOK-SFHVURJKSA-N 2 1 309.413 2.723 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351598737 286164575 /nfs/dbraw/zinc/16/45/75/286164575.db2.gz VEUDYCGZIWBMIS-DLBZAZTESA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000351598737 286164577 /nfs/dbraw/zinc/16/45/77/286164577.db2.gz VEUDYCGZIWBMIS-DLBZAZTESA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000351598737 286164580 /nfs/dbraw/zinc/16/45/80/286164580.db2.gz VEUDYCGZIWBMIS-DLBZAZTESA-N 2 1 304.482 2.957 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000372842072 150191109 /nfs/dbraw/zinc/19/11/09/150191109.db2.gz NTWNNQSTRGOOHD-HNNXBMFYSA-N 2 1 322.493 2.915 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1)C1CC1 ZINC000351610209 286168827 /nfs/dbraw/zinc/16/88/27/286168827.db2.gz NOGWVUNEYKBNQE-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1)C1CC1 ZINC000351610209 286168829 /nfs/dbraw/zinc/16/88/29/286168829.db2.gz NOGWVUNEYKBNQE-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1)C1CC1 ZINC000351610209 286168830 /nfs/dbraw/zinc/16/88/30/286168830.db2.gz NOGWVUNEYKBNQE-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1)C1CC1 ZINC000351610209 286168832 /nfs/dbraw/zinc/16/88/32/286168832.db2.gz NOGWVUNEYKBNQE-RTBURBONSA-N 2 1 302.462 2.539 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)cc1C ZINC000373001942 150214684 /nfs/dbraw/zinc/21/46/84/150214684.db2.gz YXKCZLPZXPSWHY-HXUWFJFHSA-N 2 1 315.505 2.763 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373165576 150240875 /nfs/dbraw/zinc/24/08/75/150240875.db2.gz JFEJMYWEFUZBRI-RDJZCZTQSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@@H](c1ccccc1F)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373165576 150240877 /nfs/dbraw/zinc/24/08/77/150240877.db2.gz JFEJMYWEFUZBRI-RDJZCZTQSA-N 2 1 319.468 2.987 20 0 DFADMP Cc1cncn1C1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373763209 150253228 /nfs/dbraw/zinc/25/32/28/150253228.db2.gz MOFSPLTZZYZHME-IJEWVQPXSA-N 2 1 318.465 2.616 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373763209 150253234 /nfs/dbraw/zinc/25/32/34/150253234.db2.gz MOFSPLTZZYZHME-IJEWVQPXSA-N 2 1 318.465 2.616 20 0 DFADMP C[C@@H](CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000373912654 150277300 /nfs/dbraw/zinc/27/73/00/150277300.db2.gz QMEKZUMRJYOCAL-AZUAARDMSA-N 2 1 315.505 2.892 20 0 DFADMP COC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374066902 150301901 /nfs/dbraw/zinc/30/19/01/150301901.db2.gz QURGYBPRPMSAQR-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374066902 150301904 /nfs/dbraw/zinc/30/19/04/150301904.db2.gz QURGYBPRPMSAQR-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374066902 150301906 /nfs/dbraw/zinc/30/19/06/150301906.db2.gz QURGYBPRPMSAQR-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP C[C@H]1CN(Cc2ccccc2Cl)CC[N@@H+]1C1CCN(C)CC1 ZINC000374259313 150330889 /nfs/dbraw/zinc/33/08/89/150330889.db2.gz OUVDSHZMFKKECT-HNNXBMFYSA-N 2 1 321.896 2.940 20 0 DFADMP C[C@H]1CN(Cc2ccccc2Cl)CC[N@H+]1C1CCN(C)CC1 ZINC000374259313 150330893 /nfs/dbraw/zinc/33/08/93/150330893.db2.gz OUVDSHZMFKKECT-HNNXBMFYSA-N 2 1 321.896 2.940 20 0 DFADMP Cc1nnc([C@@H](C)[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)o1 ZINC000374296406 150339013 /nfs/dbraw/zinc/33/90/13/150339013.db2.gz NQUQKFOQIDTHSJ-OCCSQVGLSA-N 2 1 304.438 2.635 20 0 DFADMP Cc1nnc([C@@H](C)[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)o1 ZINC000374296406 150339015 /nfs/dbraw/zinc/33/90/15/150339015.db2.gz NQUQKFOQIDTHSJ-OCCSQVGLSA-N 2 1 304.438 2.635 20 0 DFADMP CCCc1noc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000374318579 150344058 /nfs/dbraw/zinc/34/40/58/150344058.db2.gz RSCLKXQKGSDHTR-CQSZACIVSA-N 2 1 318.465 2.718 20 0 DFADMP CCCc1noc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000374318579 150344062 /nfs/dbraw/zinc/34/40/62/150344062.db2.gz RSCLKXQKGSDHTR-CQSZACIVSA-N 2 1 318.465 2.718 20 0 DFADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000374420429 150364785 /nfs/dbraw/zinc/36/47/85/150364785.db2.gz LIKWEUJURPMMCN-QXCFHYIPSA-N 2 1 302.462 2.974 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000285695104 286182913 /nfs/dbraw/zinc/18/29/13/286182913.db2.gz VOKCKIVGJYXEKN-HOCLYGCPSA-N 2 1 303.450 2.766 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686742 286193292 /nfs/dbraw/zinc/19/32/92/286193292.db2.gz LIWTXXNEYNUCHS-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686742 286193293 /nfs/dbraw/zinc/19/32/93/286193293.db2.gz LIWTXXNEYNUCHS-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351686742 286193295 /nfs/dbraw/zinc/19/32/95/286193295.db2.gz LIWTXXNEYNUCHS-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351710543 286200036 /nfs/dbraw/zinc/20/00/36/286200036.db2.gz DIIUQUYKOAJGCI-WOJBJXKFSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351710543 286200037 /nfs/dbraw/zinc/20/00/37/286200037.db2.gz DIIUQUYKOAJGCI-WOJBJXKFSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351710543 286200038 /nfs/dbraw/zinc/20/00/38/286200038.db2.gz DIIUQUYKOAJGCI-WOJBJXKFSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351710543 286200039 /nfs/dbraw/zinc/20/00/39/286200039.db2.gz DIIUQUYKOAJGCI-WOJBJXKFSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C1(c2ccccc2)CCCCC1)C1CC1 ZINC000351713400 286200555 /nfs/dbraw/zinc/20/05/55/286200555.db2.gz UJYRMQSSWFUGDQ-GOSISDBHSA-N 2 1 302.462 2.891 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C1(c2ccccc2)CCCCC1)C1CC1 ZINC000351713400 286200557 /nfs/dbraw/zinc/20/05/57/286200557.db2.gz UJYRMQSSWFUGDQ-GOSISDBHSA-N 2 1 302.462 2.891 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000351751860 286210072 /nfs/dbraw/zinc/21/00/72/286210072.db2.gz DJCCDWVIEDUNOD-BEFAXECRSA-N 2 1 310.445 2.785 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000351751860 286210073 /nfs/dbraw/zinc/21/00/73/286210073.db2.gz DJCCDWVIEDUNOD-BEFAXECRSA-N 2 1 310.445 2.785 20 0 DFADMP CC[C@H](C)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000351805889 286222618 /nfs/dbraw/zinc/22/26/18/286222618.db2.gz DCEIUHOCQSGYGR-DLBZAZTESA-N 2 1 311.514 2.687 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000351853592 286233037 /nfs/dbraw/zinc/23/30/37/286233037.db2.gz PGNZRHCQADAXKL-LSDHHAIUSA-N 2 1 310.445 2.530 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000351853592 286233038 /nfs/dbraw/zinc/23/30/38/286233038.db2.gz PGNZRHCQADAXKL-LSDHHAIUSA-N 2 1 310.445 2.530 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351859077 286233688 /nfs/dbraw/zinc/23/36/88/286233688.db2.gz ZSUMOXLUXFTNCF-GZBFAFLISA-N 2 1 323.868 2.529 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351859077 286233689 /nfs/dbraw/zinc/23/36/89/286233689.db2.gz ZSUMOXLUXFTNCF-GZBFAFLISA-N 2 1 323.868 2.529 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@H]2C)[NH+]2CCCC2)o1 ZINC000360897397 292256303 /nfs/dbraw/zinc/25/63/03/292256303.db2.gz MJRKKOJOPLBJTH-PVAVHDDUSA-N 2 1 305.466 2.655 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)C12CCOCC2 ZINC000248583923 286291585 /nfs/dbraw/zinc/29/15/85/286291585.db2.gz WXLJLFJRNSILKK-KZNAEPCWSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]1CC[C@@H](c2ccccc2)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352115681 286296250 /nfs/dbraw/zinc/29/62/50/286296250.db2.gz NLYUYNONRPPFLV-LZQZEXGQSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@@H](c2ccccc2)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000352115681 286296252 /nfs/dbraw/zinc/29/62/52/286296252.db2.gz NLYUYNONRPPFLV-LZQZEXGQSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@@H](c2ccccc2)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000352115681 286296256 /nfs/dbraw/zinc/29/62/56/286296256.db2.gz NLYUYNONRPPFLV-LZQZEXGQSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@@H](c2ccccc2)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352115681 286296258 /nfs/dbraw/zinc/29/62/58/286296258.db2.gz NLYUYNONRPPFLV-LZQZEXGQSA-N 2 1 302.462 2.915 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352130393 286299652 /nfs/dbraw/zinc/29/96/52/286299652.db2.gz YYQSVNJKZZIMMI-QZTJIDSGSA-N 2 1 317.477 2.544 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000352173312 286311929 /nfs/dbraw/zinc/31/19/29/286311929.db2.gz ZVXCNPPWVUXLIG-DLBZAZTESA-N 2 1 311.514 2.781 20 0 DFADMP COc1ccc(C)cc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352245523 286327630 /nfs/dbraw/zinc/32/76/30/286327630.db2.gz IGLGNRMOWXOROK-UHFFFAOYSA-N 2 1 319.474 2.854 20 0 DFADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352507846 286392483 /nfs/dbraw/zinc/39/24/83/286392483.db2.gz DJAUZMFGMYHTAK-CZUORRHYSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352507846 286392484 /nfs/dbraw/zinc/39/24/84/286392484.db2.gz DJAUZMFGMYHTAK-CZUORRHYSA-N 2 1 323.868 2.721 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)cnc21 ZINC000352527348 286398656 /nfs/dbraw/zinc/39/86/56/286398656.db2.gz ZHEPTRFOTMZJAZ-GOSISDBHSA-N 2 1 313.449 2.588 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)cnc21 ZINC000352527348 286398657 /nfs/dbraw/zinc/39/86/57/286398657.db2.gz ZHEPTRFOTMZJAZ-GOSISDBHSA-N 2 1 313.449 2.588 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)s1 ZINC000352740075 286455622 /nfs/dbraw/zinc/45/56/22/286455622.db2.gz SVNCNLKPKRMENZ-INIZCTEOSA-N 2 1 311.495 2.626 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000246419388 158090086 /nfs/dbraw/zinc/09/00/86/158090086.db2.gz VLUVVYSMZUSMLK-QZTJIDSGSA-N 2 1 319.493 2.772 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246806080 158099569 /nfs/dbraw/zinc/09/95/69/158099569.db2.gz NBVRKNDZOYINQE-DOTOQJQBSA-N 2 1 308.466 2.669 20 0 DFADMP CCOC(=O)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246806080 158099570 /nfs/dbraw/zinc/09/95/70/158099570.db2.gz NBVRKNDZOYINQE-DOTOQJQBSA-N 2 1 308.466 2.669 20 0 DFADMP CCOC(=O)CCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246806080 158099573 /nfs/dbraw/zinc/09/95/73/158099573.db2.gz NBVRKNDZOYINQE-DOTOQJQBSA-N 2 1 308.466 2.669 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC000246884466 158104877 /nfs/dbraw/zinc/10/48/77/158104877.db2.gz DTEPEXDNXIFHLJ-NVXWUHKLSA-N 2 1 320.481 2.549 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@H](C)CC(C)C ZINC000246884466 158104880 /nfs/dbraw/zinc/10/48/80/158104880.db2.gz DTEPEXDNXIFHLJ-NVXWUHKLSA-N 2 1 320.481 2.549 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)cc1OC ZINC000247227200 158123256 /nfs/dbraw/zinc/12/32/56/158123256.db2.gz WPJMMBJIZJLZQT-HOCLYGCPSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)cc1OC ZINC000247227200 158123257 /nfs/dbraw/zinc/12/32/57/158123257.db2.gz WPJMMBJIZJLZQT-HOCLYGCPSA-N 2 1 306.450 2.914 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247196794 158123646 /nfs/dbraw/zinc/12/36/46/158123646.db2.gz OQFUHZPXOAKBCO-HRCADAONSA-N 2 1 320.481 2.776 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247196794 158123650 /nfs/dbraw/zinc/12/36/50/158123650.db2.gz OQFUHZPXOAKBCO-HRCADAONSA-N 2 1 320.481 2.776 20 0 DFADMP COc1ccc(C)cc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247931358 158151939 /nfs/dbraw/zinc/15/19/39/158151939.db2.gz CBWAOHHNBRUWBZ-SJORKVTESA-N 2 1 320.477 2.891 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248137885 158161358 /nfs/dbraw/zinc/16/13/58/158161358.db2.gz PHWCMJPQBNJVOD-AEFFLSMTSA-N 2 1 320.477 2.973 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404523 158172570 /nfs/dbraw/zinc/17/25/70/158172570.db2.gz QHIWHKFTZVHMAI-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248404523 158172572 /nfs/dbraw/zinc/17/25/72/158172572.db2.gz QHIWHKFTZVHMAI-VAMGGRTRSA-N 3 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404523 158172575 /nfs/dbraw/zinc/17/25/75/158172575.db2.gz QHIWHKFTZVHMAI-VAMGGRTRSA-N 3 1 315.505 2.828 20 0 DFADMP COCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248401880 158172864 /nfs/dbraw/zinc/17/28/64/158172864.db2.gz MGILUHUJROSGMX-IPMKNSEASA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248406450 158173667 /nfs/dbraw/zinc/17/36/67/158173667.db2.gz SJVOZGCFDJLRJE-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP COC(C)(C)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248419413 158175059 /nfs/dbraw/zinc/17/50/59/158175059.db2.gz VBDSXHNZKJDUCY-KZNAEPCWSA-N 2 1 302.462 2.912 20 0 DFADMP OCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248751055 158200216 /nfs/dbraw/zinc/20/02/16/158200216.db2.gz OMBFXQFRLQQCBP-GUDVDZBRSA-N 2 1 302.462 2.649 20 0 DFADMP OCCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248819662 158202334 /nfs/dbraw/zinc/20/23/34/158202334.db2.gz WIJMHSOQMFLVGN-GBESFXJTSA-N 2 1 302.462 2.649 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)cn1 ZINC000248858596 158204624 /nfs/dbraw/zinc/20/46/24/158204624.db2.gz ABXIXHOSQLAPCQ-IAGOWNOFSA-N 2 1 304.482 2.889 20 0 DFADMP CC[C@@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000355202222 158296760 /nfs/dbraw/zinc/29/67/60/158296760.db2.gz UNJAPTBFBIXUTQ-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000355202222 158296761 /nfs/dbraw/zinc/29/67/61/158296761.db2.gz UNJAPTBFBIXUTQ-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000355202222 158296762 /nfs/dbraw/zinc/29/67/62/158296762.db2.gz UNJAPTBFBIXUTQ-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000355202222 158296764 /nfs/dbraw/zinc/29/67/64/158296764.db2.gz UNJAPTBFBIXUTQ-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@H]3CCCOC3)CCCC2)CC1 ZINC000356891557 158319415 /nfs/dbraw/zinc/31/94/15/158319415.db2.gz GXGBYLDLDOKTBT-IRXDYDNUSA-N 2 1 324.509 2.815 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC(C)C ZINC000357038969 158353397 /nfs/dbraw/zinc/35/33/97/158353397.db2.gz ANLOTPZDLAPVQQ-SJORKVTESA-N 2 1 318.461 2.771 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC(C)C ZINC000357038969 158353400 /nfs/dbraw/zinc/35/34/00/158353400.db2.gz ANLOTPZDLAPVQQ-SJORKVTESA-N 2 1 318.461 2.771 20 0 DFADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357083316 158362679 /nfs/dbraw/zinc/36/26/79/158362679.db2.gz OVMMULJRVXRLLJ-JSGCOSHPSA-N 2 1 306.454 2.750 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccccn2)[C@H](C)C1 ZINC000358291722 158369079 /nfs/dbraw/zinc/36/90/79/158369079.db2.gz GMKRUICAOXWIFO-IEBWSBKVSA-N 2 1 319.493 2.741 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000358390149 158376614 /nfs/dbraw/zinc/37/66/14/158376614.db2.gz XOPLJXVGRPLAQN-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358390149 158376618 /nfs/dbraw/zinc/37/66/18/158376618.db2.gz XOPLJXVGRPLAQN-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358390149 158376620 /nfs/dbraw/zinc/37/66/20/158376620.db2.gz XOPLJXVGRPLAQN-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358390149 158376623 /nfs/dbraw/zinc/37/66/23/158376623.db2.gz XOPLJXVGRPLAQN-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358390149 158376625 /nfs/dbraw/zinc/37/66/25/158376625.db2.gz XOPLJXVGRPLAQN-MNIJEXPFSA-N 2 1 313.489 2.722 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000374863562 158820283 /nfs/dbraw/zinc/82/02/83/158820283.db2.gz OSROORWNDXBJDJ-SFHVURJKSA-N 2 1 321.465 2.608 20 0 DFADMP CO[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441341965 297180190 /nfs/dbraw/zinc/18/01/90/297180190.db2.gz QJOGINBCJSRJSX-BDADDGHKSA-N 2 1 310.482 2.541 20 0 DFADMP CO[C@@H]1CC[N@@H+](C/C=C/C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441341965 297180191 /nfs/dbraw/zinc/18/01/91/297180191.db2.gz QJOGINBCJSRJSX-BDADDGHKSA-N 2 1 310.482 2.541 20 0 DFADMP CO[C@@H]1CC[N@H+](C/C=C/C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@@H](C)C1 ZINC000441341965 297180192 /nfs/dbraw/zinc/18/01/92/297180192.db2.gz QJOGINBCJSRJSX-BDADDGHKSA-N 2 1 310.482 2.541 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000133090779 196310470 /nfs/dbraw/zinc/31/04/70/196310470.db2.gz FEHNJTWVTSABNZ-CABCVRRESA-N 2 1 306.425 2.977 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000133092623 196311241 /nfs/dbraw/zinc/31/12/41/196311241.db2.gz LLQYDUHVQDMVGE-GJZGRUSLSA-N 2 1 306.425 2.977 20 0 DFADMP Cc1cc(N(CC[NH+](C)C)Cc2ccc(F)cc2)nc(C)[nH+]1 ZINC000133322291 196329404 /nfs/dbraw/zinc/32/94/04/196329404.db2.gz LCSGNFNGASPMLI-UHFFFAOYSA-N 2 1 302.397 2.801 20 0 DFADMP CCc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000133806945 196337223 /nfs/dbraw/zinc/33/72/23/196337223.db2.gz JJVUHZVLMHHSTC-LZQZEXGQSA-N 2 1 303.494 2.924 20 0 DFADMP CCC(CC)[N@@H+](CCOC)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667520736 543622119 /nfs/dbraw/zinc/62/21/19/543622119.db2.gz BMRYEPWCGVELKM-UHFFFAOYSA-N 2 1 302.422 2.904 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667611699 543640826 /nfs/dbraw/zinc/64/08/26/543640826.db2.gz YSHCWZNYFYABOC-ZDUSSCGKSA-N 2 1 319.474 2.573 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2Cc2cnc(C)n2C)n1 ZINC000667611864 543640939 /nfs/dbraw/zinc/64/09/39/543640939.db2.gz FJPWSALBCLCXMK-INIZCTEOSA-N 2 1 301.438 2.597 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCCN2Cc2cnc(C)n2C)n1 ZINC000667611864 543640941 /nfs/dbraw/zinc/64/09/41/543640941.db2.gz FJPWSALBCLCXMK-INIZCTEOSA-N 2 1 301.438 2.597 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000667835058 543688889 /nfs/dbraw/zinc/68/88/89/543688889.db2.gz HKRMOLYWKIMIKW-RLLQIKCJSA-N 2 1 314.473 2.708 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C(F)(F)F)cnn2C)[C@@H](C)C1 ZINC000667666085 543655236 /nfs/dbraw/zinc/65/52/36/543655236.db2.gz BXPHXPBNJCFXEG-WCQYABFASA-N 2 1 318.387 2.601 20 0 DFADMP CO[C@@]1(C)C[C@@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000667690747 543661010 /nfs/dbraw/zinc/66/10/10/543661010.db2.gz HKJHURIDQJXBAF-AEFFLSMTSA-N 2 1 314.433 2.903 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667729862 543668301 /nfs/dbraw/zinc/66/83/01/543668301.db2.gz ZCSCFZKYPBHQRO-OKILXGFUSA-N 2 1 304.438 2.530 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667731272 543668723 /nfs/dbraw/zinc/66/87/23/543668723.db2.gz OWAYHPGPPJKUAQ-HNNXBMFYSA-N 2 1 318.465 2.921 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccccc1 ZINC000667734967 543669782 /nfs/dbraw/zinc/66/97/82/543669782.db2.gz CUIHWKRWZVHDSP-MSOLQXFVSA-N 2 1 324.428 2.712 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)Nc2cccc(C[NH3+])c2)[C@@H]1c1ccccc1 ZINC000667734969 543669925 /nfs/dbraw/zinc/66/99/25/543669925.db2.gz CUIHWKRWZVHDSP-ROUUACIJSA-N 2 1 324.428 2.712 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668063307 543731971 /nfs/dbraw/zinc/73/19/71/543731971.db2.gz JLEBNKQXCAMEHN-IEBWSBKVSA-N 2 1 318.461 2.770 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668063307 543731974 /nfs/dbraw/zinc/73/19/74/543731974.db2.gz JLEBNKQXCAMEHN-IEBWSBKVSA-N 2 1 318.461 2.770 20 0 DFADMP Cc1[nH+]cc(CN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)n1C ZINC000668146373 543750082 /nfs/dbraw/zinc/75/00/82/543750082.db2.gz FPYCHYBZZVAXCR-HXUWFJFHSA-N 2 1 324.472 2.827 20 0 DFADMP Cc1[nH+]cc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1C ZINC000668146373 543750085 /nfs/dbraw/zinc/75/00/85/543750085.db2.gz FPYCHYBZZVAXCR-HXUWFJFHSA-N 2 1 324.472 2.827 20 0 DFADMP CC[N@H+](Cc1cc2n(n1)CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160824 543754227 /nfs/dbraw/zinc/75/42/27/543754227.db2.gz HXLBDZGYSJDWND-UHFFFAOYSA-N 2 1 312.461 2.913 20 0 DFADMP CC[N@@H+](Cc1cc2n(n1)CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160824 543754230 /nfs/dbraw/zinc/75/42/30/543754230.db2.gz HXLBDZGYSJDWND-UHFFFAOYSA-N 2 1 312.461 2.913 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2cnn(C(C)C)c2)CC1 ZINC000668316337 543791533 /nfs/dbraw/zinc/79/15/33/543791533.db2.gz FFMCDBCWODZWNW-MSOLQXFVSA-N 2 1 320.481 2.758 20 0 DFADMP CC(C)[C@H]1C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCCO1 ZINC000668198061 543765340 /nfs/dbraw/zinc/76/53/40/543765340.db2.gz DHSLXRSCGMSGAB-QGZVFWFLSA-N 2 1 300.406 2.514 20 0 DFADMP C[C@@]12C[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000668211945 543768191 /nfs/dbraw/zinc/76/81/91/543768191.db2.gz RXUBQYQHWBYMQS-OHQAAIJDSA-N 2 1 306.413 2.911 20 0 DFADMP C[C@@]12C[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000668211945 543768192 /nfs/dbraw/zinc/76/81/92/543768192.db2.gz RXUBQYQHWBYMQS-OHQAAIJDSA-N 2 1 306.413 2.911 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+](C)CC2CN(C)C2)cc1OC ZINC000668538137 543821468 /nfs/dbraw/zinc/82/14/68/543821468.db2.gz UUBUBYOWWMBZGS-UHFFFAOYSA-N 2 1 312.841 2.741 20 0 DFADMP CCOc1c(Cl)cc(CN(C)CC2C[NH+](C)C2)cc1OC ZINC000668538137 543821471 /nfs/dbraw/zinc/82/14/71/543821471.db2.gz UUBUBYOWWMBZGS-UHFFFAOYSA-N 2 1 312.841 2.741 20 0 DFADMP C[C@@H](O)C1([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000668700892 543848239 /nfs/dbraw/zinc/84/82/39/543848239.db2.gz NDAIKVZOUIUAPL-JKSUJKDBSA-N 2 1 302.462 2.585 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CSC3)C3(CCC3)C2)cc1 ZINC000668713311 543851541 /nfs/dbraw/zinc/85/15/41/543851541.db2.gz MKJVPGWXINGLOF-INIZCTEOSA-N 2 1 302.487 2.994 20 0 DFADMP CC(C)c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668740876 543859417 /nfs/dbraw/zinc/85/94/17/543859417.db2.gz YAKFGEDISLIDMK-FQEVSTJZSA-N 2 1 316.489 2.884 20 0 DFADMP CC(C)c1ccc(CC[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000668740876 543859419 /nfs/dbraw/zinc/85/94/19/543859419.db2.gz YAKFGEDISLIDMK-FQEVSTJZSA-N 2 1 316.489 2.884 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000668784300 543866955 /nfs/dbraw/zinc/86/69/55/543866955.db2.gz ARORXZBNVZNVIZ-YZTRRJNXSA-N 2 1 306.425 2.882 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C/c2ccc(F)cc2)CCO1 ZINC000668784300 543866956 /nfs/dbraw/zinc/86/69/56/543866956.db2.gz ARORXZBNVZNVIZ-YZTRRJNXSA-N 2 1 306.425 2.882 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633596 226069346 /nfs/dbraw/zinc/06/93/46/226069346.db2.gz XOOHZTSLWBLWQZ-YSHGAJCASA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633596 226069349 /nfs/dbraw/zinc/06/93/49/226069349.db2.gz XOOHZTSLWBLWQZ-YSHGAJCASA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000245643161 287394949 /nfs/dbraw/zinc/39/49/49/287394949.db2.gz ZGAPTDHKWBDIKK-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]2c2cccc(F)c2)CC1 ZINC000669690443 543983765 /nfs/dbraw/zinc/98/37/65/543983765.db2.gz PNKUROAXRLZGNO-LJQANCHMSA-N 2 1 319.468 2.989 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(OC)c2F)C1 ZINC000669709080 543986995 /nfs/dbraw/zinc/98/69/95/543986995.db2.gz VCWHCBAZCGYUNK-INIZCTEOSA-N 2 1 324.440 2.767 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCCC[C@H]2CCO)cc1 ZINC000671309514 544067306 /nfs/dbraw/zinc/06/73/06/544067306.db2.gz NLOUUPWGPDKQKA-SFHVURJKSA-N 2 1 320.477 2.754 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCCCC[C@@H]2CCO)cc1 ZINC000671309513 544067342 /nfs/dbraw/zinc/06/73/42/544067342.db2.gz NLOUUPWGPDKQKA-GOSISDBHSA-N 2 1 320.477 2.754 20 0 DFADMP C[C@@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H]1F ZINC000671686254 544097431 /nfs/dbraw/zinc/09/74/31/544097431.db2.gz CXNCMZOULMJWKB-IEBWSBKVSA-N 2 1 319.468 2.879 20 0 DFADMP C[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@H]1F ZINC000671686254 544097433 /nfs/dbraw/zinc/09/74/33/544097433.db2.gz CXNCMZOULMJWKB-IEBWSBKVSA-N 2 1 319.468 2.879 20 0 DFADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723616 544101888 /nfs/dbraw/zinc/10/18/88/544101888.db2.gz PATLCQQXLIKGTR-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723616 544101891 /nfs/dbraw/zinc/10/18/91/544101891.db2.gz PATLCQQXLIKGTR-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+]([C@@H]4CCCOC4)C3)C2)cc1 ZINC000671723616 544101895 /nfs/dbraw/zinc/10/18/95/544101895.db2.gz PATLCQQXLIKGTR-MOPGFXCFSA-N 2 1 300.446 2.763 20 0 DFADMP COC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccco1 ZINC000673811131 544200017 /nfs/dbraw/zinc/20/00/17/544200017.db2.gz FMUOMRNHPHDVGD-KRWDZBQOSA-N 2 1 318.417 2.697 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2F)C1 ZINC000291133510 222162467 /nfs/dbraw/zinc/16/24/67/222162467.db2.gz HAUWVMBMBIXFBG-CBZIJGRNSA-N 2 1 319.468 2.970 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259345 222264280 /nfs/dbraw/zinc/26/42/80/222264280.db2.gz WTZXQRDOOPXXGV-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259345 222264283 /nfs/dbraw/zinc/26/42/83/222264283.db2.gz WTZXQRDOOPXXGV-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000675750835 544333617 /nfs/dbraw/zinc/33/36/17/544333617.db2.gz JPAMXQAQVQTEMY-YJBOKZPZSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2)[C@@H](C)C1 ZINC000675750835 544333619 /nfs/dbraw/zinc/33/36/19/544333619.db2.gz JPAMXQAQVQTEMY-YJBOKZPZSA-N 2 1 305.466 2.617 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3c[nH]nc32)cc1 ZINC000675766402 544334313 /nfs/dbraw/zinc/33/43/13/544334313.db2.gz KRKSMCXUWHEZAO-KRWDZBQOSA-N 2 1 314.433 2.517 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883233 544341237 /nfs/dbraw/zinc/34/12/37/544341237.db2.gz YOGBABHUBXHDMW-HKUYNNGSSA-N 2 1 300.446 2.907 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C(C)(C)O1 ZINC000675882348 544341425 /nfs/dbraw/zinc/34/14/25/544341425.db2.gz RABHVVPHNHDADB-HZPDHXFCSA-N 2 1 310.482 2.566 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(OC)cccc32)[C@H](C)C1 ZINC000675908712 544343616 /nfs/dbraw/zinc/34/36/16/544343616.db2.gz XFGBLVZLZNAWJN-KBMXLJTQSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(OC)cccc32)[C@H](C)C1 ZINC000675908712 544343619 /nfs/dbraw/zinc/34/36/19/544343619.db2.gz XFGBLVZLZNAWJN-KBMXLJTQSA-N 2 1 304.434 2.839 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000675926271 544344996 /nfs/dbraw/zinc/34/49/96/544344996.db2.gz APAMHFOELKMEBE-LMMKCTJWSA-N 2 1 319.493 2.912 20 0 DFADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000676039156 544351451 /nfs/dbraw/zinc/35/14/51/544351451.db2.gz JEIZJPCHEFRBRG-KRWDZBQOSA-N 2 1 313.445 2.645 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3cc4ccccc4o3)CC2)C1 ZINC000676039156 544351453 /nfs/dbraw/zinc/35/14/53/544351453.db2.gz JEIZJPCHEFRBRG-KRWDZBQOSA-N 2 1 313.445 2.645 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)C[C@H]1C ZINC000442886843 297209637 /nfs/dbraw/zinc/20/96/37/297209637.db2.gz UURYXDUCVVHQRL-PWSUYJOCSA-N 2 1 304.360 2.733 20 0 DFADMP Cc1nc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)s1 ZINC000676490272 544379520 /nfs/dbraw/zinc/37/95/20/544379520.db2.gz PJYJZEFYYDQXDX-ZDUSSCGKSA-N 2 1 324.538 2.684 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2c1 ZINC000677240794 544456669 /nfs/dbraw/zinc/45/66/69/544456669.db2.gz KXWINPCEGKKETG-JKSUJKDBSA-N 2 1 313.445 2.935 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cc(F)cc3F)CC1 ZINC000677132413 544439372 /nfs/dbraw/zinc/43/93/72/544439372.db2.gz YIWHJVFKXGHARE-SFHVURJKSA-N 2 1 323.431 2.569 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CC)[C@H](C)C2)cc1 ZINC000677173454 544446717 /nfs/dbraw/zinc/44/67/17/544446717.db2.gz HTJGUIFJZRELKU-MRXNPFEDSA-N 2 1 317.477 2.695 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@H]2C)o1 ZINC000677976045 544574156 /nfs/dbraw/zinc/57/41/56/544574156.db2.gz WCJVQZBKGXRLFO-LSDHHAIUSA-N 2 1 321.465 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@H]2C)o1 ZINC000677976045 544574161 /nfs/dbraw/zinc/57/41/61/544574161.db2.gz WCJVQZBKGXRLFO-LSDHHAIUSA-N 2 1 321.465 2.676 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCN(Cc2ccccc2)CC[C@H]1C ZINC000677985201 544576165 /nfs/dbraw/zinc/57/61/65/544576165.db2.gz VTICFALGAYBGRW-QGZVFWFLSA-N 2 1 312.461 2.788 20 0 DFADMP Cc1nccn1CCN1CC[N@@H+](Cc2ccccc2)CC[C@H]1C ZINC000677985201 544576170 /nfs/dbraw/zinc/57/61/70/544576170.db2.gz VTICFALGAYBGRW-QGZVFWFLSA-N 2 1 312.461 2.788 20 0 DFADMP Cc1nccn1CCN1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000677985201 544576173 /nfs/dbraw/zinc/57/61/73/544576173.db2.gz VTICFALGAYBGRW-QGZVFWFLSA-N 2 1 312.461 2.788 20 0 DFADMP CCCn1cc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000678232920 544625840 /nfs/dbraw/zinc/62/58/40/544625840.db2.gz PUFWJDMNTJLZKG-MRXNPFEDSA-N 2 1 313.449 2.931 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCCO1 ZINC000678239020 544627688 /nfs/dbraw/zinc/62/76/88/544627688.db2.gz UMFLAGAJFLHABP-KRWDZBQOSA-N 2 1 318.461 2.772 20 0 DFADMP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678277062 544641617 /nfs/dbraw/zinc/64/16/17/544641617.db2.gz PVBHLNMVGMQROD-IAGOWNOFSA-N 2 1 300.446 2.970 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C)cc2)C1 ZINC000299501323 229158315 /nfs/dbraw/zinc/15/83/15/229158315.db2.gz IARNRNRNMPHNOI-MAUKXSAKSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)cc2)C1 ZINC000299501323 229158318 /nfs/dbraw/zinc/15/83/18/229158318.db2.gz IARNRNRNMPHNOI-MAUKXSAKSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C)cc2)C1 ZINC000299501323 229158322 /nfs/dbraw/zinc/15/83/22/229158322.db2.gz IARNRNRNMPHNOI-MAUKXSAKSA-N 2 1 315.461 2.951 20 0 DFADMP C[NH+](C)CCOC1CC[NH+](Cc2nc3c(s2)CCCC3)CC1 ZINC000678990381 544763234 /nfs/dbraw/zinc/76/32/34/544763234.db2.gz YGIQICSJTHOVKF-UHFFFAOYSA-N 2 1 323.506 2.565 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000679026579 544769612 /nfs/dbraw/zinc/76/96/12/544769612.db2.gz YIYFBDLLYMMWIM-OCCSQVGLSA-N 2 1 324.428 2.778 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H](CC2CCC2)c2ccccc2)CC1 ZINC000679038999 544773137 /nfs/dbraw/zinc/77/31/37/544773137.db2.gz VRXSKLBDZOECCC-IBGZPJMESA-N 2 1 302.462 2.964 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000679072873 544779842 /nfs/dbraw/zinc/77/98/42/544779842.db2.gz DTHNAJXUFFPCCR-ZNMIVQPWSA-N 2 1 304.425 2.901 20 0 DFADMP C[C@@H](c1cccc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000679146233 544792608 /nfs/dbraw/zinc/79/26/08/544792608.db2.gz YGXYXGQFBHCKLG-JTDSTZFVSA-N 2 1 317.477 2.974 20 0 DFADMP C[C@@H](c1cccc(N[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000679146233 544792614 /nfs/dbraw/zinc/79/26/14/544792614.db2.gz YGXYXGQFBHCKLG-JTDSTZFVSA-N 2 1 317.477 2.974 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000494044193 299854861 /nfs/dbraw/zinc/85/48/61/299854861.db2.gz NJJQEMXHNGWARY-KRWDZBQOSA-N 2 1 324.469 2.721 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000066874289 425907588 /nfs/dbraw/zinc/90/75/88/425907588.db2.gz XUNMDOABMPFPFP-UHFFFAOYSA-N 2 1 309.498 2.535 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@@H](c1ccco1)[NH+](C)C)[NH+]1CCCCC1 ZINC000067284928 425909591 /nfs/dbraw/zinc/90/95/91/425909591.db2.gz VDOUMPRYCKHTDM-RDJZCZTQSA-N 2 1 321.465 2.509 20 0 DFADMP Cc1ccccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124484766 425921687 /nfs/dbraw/zinc/92/16/87/425921687.db2.gz CHSODLUZZSYFOI-QGZVFWFLSA-N 2 1 303.494 2.919 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124524822 425924050 /nfs/dbraw/zinc/92/40/50/425924050.db2.gz UKHHGGMHBWRZKR-KRWDZBQOSA-N 2 1 303.494 2.919 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000102757563 425926847 /nfs/dbraw/zinc/92/68/47/425926847.db2.gz NBVMRXFQADESPX-QGZVFWFLSA-N 2 1 303.450 2.604 20 0 DFADMP CC[C@H](COC)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000124648448 425931408 /nfs/dbraw/zinc/93/14/08/425931408.db2.gz LLCQEDOUWBBZPP-JTDSTZFVSA-N 2 1 320.477 2.810 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCC2OCCO2)CC1 ZINC000124682506 425933497 /nfs/dbraw/zinc/93/34/97/425933497.db2.gz HVDPCKJABJUGSU-INIZCTEOSA-N 2 1 310.482 2.726 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCCN(C(C)C)C1=O ZINC000191482274 268001737 /nfs/dbraw/zinc/00/17/37/268001737.db2.gz JZLZWTOOZUPGFO-INIZCTEOSA-N 2 1 320.481 2.557 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCCN(C(C)C)C1=O ZINC000191482274 268001738 /nfs/dbraw/zinc/00/17/38/268001738.db2.gz JZLZWTOOZUPGFO-INIZCTEOSA-N 2 1 320.481 2.557 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000191495768 268003509 /nfs/dbraw/zinc/00/35/09/268003509.db2.gz GJCUNLKIAYCUQF-OAHLLOKOSA-N 2 1 320.481 2.605 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)NC1CCCC1 ZINC000191495768 268003511 /nfs/dbraw/zinc/00/35/11/268003511.db2.gz GJCUNLKIAYCUQF-OAHLLOKOSA-N 2 1 320.481 2.605 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000193275664 268063402 /nfs/dbraw/zinc/06/34/02/268063402.db2.gz BDRPFNGYPXQIQH-QGZVFWFLSA-N 2 1 302.462 2.876 20 0 DFADMP CCCN(C(=O)[C@@H]([NH3+])CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236744829 268149292 /nfs/dbraw/zinc/14/92/92/268149292.db2.gz CLEAVZRENVQVSR-MSOLQXFVSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N(CC)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000236793412 268150234 /nfs/dbraw/zinc/15/02/34/268150234.db2.gz PGJYWKZIXBKHMJ-JQHSSLGASA-N 2 1 317.477 2.798 20 0 DFADMP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000268881829 268185708 /nfs/dbraw/zinc/18/57/08/268185708.db2.gz IDJYBVONURPHSR-OHDICMOHSA-N 2 1 320.477 2.826 20 0 DFADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3C[C@H](C)[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000268867558 268186435 /nfs/dbraw/zinc/18/64/35/268186435.db2.gz TUYLKPJCRZLQJU-IUVQAAGXSA-N 2 1 317.477 2.592 20 0 DFADMP CC(C)Oc1ccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000268881831 268186461 /nfs/dbraw/zinc/18/64/61/268186461.db2.gz IDJYBVONURPHSR-OSGQAZFXSA-N 2 1 320.477 2.826 20 0 DFADMP COc1ccc(OC)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000270628774 268193492 /nfs/dbraw/zinc/19/34/92/268193492.db2.gz LGKUAIVFIPZEGI-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000270628774 268193494 /nfs/dbraw/zinc/19/34/94/268193494.db2.gz LGKUAIVFIPZEGI-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000270904596 268232901 /nfs/dbraw/zinc/23/29/01/268232901.db2.gz RUWQGBOJZWTFDT-GOSISDBHSA-N 2 1 301.434 2.711 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@H](CO)C(C)C ZINC000270904596 268232904 /nfs/dbraw/zinc/23/29/04/268232904.db2.gz RUWQGBOJZWTFDT-GOSISDBHSA-N 2 1 301.434 2.711 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289762250 268281744 /nfs/dbraw/zinc/28/17/44/268281744.db2.gz RBHQHCSNWSMTEE-SJPCQFCGSA-N 2 1 301.434 2.702 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289762250 268281745 /nfs/dbraw/zinc/28/17/45/268281745.db2.gz RBHQHCSNWSMTEE-SJPCQFCGSA-N 2 1 301.434 2.702 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289762250 268281747 /nfs/dbraw/zinc/28/17/47/268281747.db2.gz RBHQHCSNWSMTEE-SJPCQFCGSA-N 2 1 301.434 2.702 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289762250 268281750 /nfs/dbraw/zinc/28/17/50/268281750.db2.gz RBHQHCSNWSMTEE-SJPCQFCGSA-N 2 1 301.434 2.702 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC3(CCC3)C2)cn1 ZINC000296418480 268305671 /nfs/dbraw/zinc/30/56/71/268305671.db2.gz MLWIRPDYOZNAPS-MRXNPFEDSA-N 2 1 312.417 2.767 20 0 DFADMP CCOc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc(Cl)c1O ZINC000298078415 268312222 /nfs/dbraw/zinc/31/22/22/268312222.db2.gz LPYUGJZLSQGOMX-LBPRGKRZSA-N 2 1 312.841 2.828 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc(Cl)c1O ZINC000298078415 268312218 /nfs/dbraw/zinc/31/22/18/268312218.db2.gz LPYUGJZLSQGOMX-LBPRGKRZSA-N 2 1 312.841 2.828 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc(Cl)c1O ZINC000298078415 268312219 /nfs/dbraw/zinc/31/22/19/268312219.db2.gz LPYUGJZLSQGOMX-LBPRGKRZSA-N 2 1 312.841 2.828 20 0 DFADMP CCOc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc(Cl)c1O ZINC000298078415 268312223 /nfs/dbraw/zinc/31/22/23/268312223.db2.gz LPYUGJZLSQGOMX-LBPRGKRZSA-N 2 1 312.841 2.828 20 0 DFADMP Cc1cccc2c(N3CC[N@@H+](CC(C)(C)O)[C@H](C)C3)cc[nH+]c12 ZINC000302523825 268324498 /nfs/dbraw/zinc/32/44/98/268324498.db2.gz YXZVOZQPTSMABI-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309775015 268336026 /nfs/dbraw/zinc/33/60/26/268336026.db2.gz YVIFQKRBUWFQDI-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000309775015 268336027 /nfs/dbraw/zinc/33/60/27/268336027.db2.gz YVIFQKRBUWFQDI-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005994 268337449 /nfs/dbraw/zinc/33/74/49/268337449.db2.gz HQBTVLNTTJLQBI-CQSZACIVSA-N 2 1 313.486 2.610 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cccc(Br)c1 ZINC000313696322 268340594 /nfs/dbraw/zinc/34/05/94/268340594.db2.gz IJWCNTCQSSYWKH-SWLSCSKDSA-N 2 1 311.267 2.921 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1noc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000333360612 268393510 /nfs/dbraw/zinc/39/35/10/268393510.db2.gz CUWGVNUIZOGIIX-CQSZACIVSA-N 2 1 312.417 2.701 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1noc(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000333360610 268394008 /nfs/dbraw/zinc/39/40/08/268394008.db2.gz CUWGVNUIZOGIIX-AWEZNQCLSA-N 2 1 312.417 2.701 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(CC(F)(F)F)CC2)C1 ZINC000125756363 425989082 /nfs/dbraw/zinc/98/90/82/425989082.db2.gz WVYYJPMPUZECHU-CQSZACIVSA-N 2 1 321.431 2.723 20 0 DFADMP C[C@@H](C(=O)N1CCCC[C@H]([NH+]2CCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000107779220 426003310 /nfs/dbraw/zinc/00/33/10/426003310.db2.gz WQOLYSDJUSMTCE-MHORFTMASA-N 2 1 321.509 2.725 20 0 DFADMP C1C[C@@H]2C[C@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC[N@H+]2C1 ZINC000158070810 425941423 /nfs/dbraw/zinc/94/14/23/425941423.db2.gz HTSVJADNNBVBQV-BZUAXINKSA-N 2 1 310.507 2.648 20 0 DFADMP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)c1cccs1 ZINC000158453007 425942555 /nfs/dbraw/zinc/94/25/55/425942555.db2.gz FINSKHHWRVHIFV-AWEZNQCLSA-N 2 1 316.474 2.746 20 0 DFADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158877231 425949851 /nfs/dbraw/zinc/94/98/51/425949851.db2.gz ZZXWKXXDALYVQT-APWZRJJASA-N 2 1 302.462 2.665 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(Cc2nccn2C)CC1 ZINC000158863190 425950273 /nfs/dbraw/zinc/95/02/73/425950273.db2.gz SYQNAAXHTCGTRI-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2nccn2C)CC1 ZINC000158863190 425950280 /nfs/dbraw/zinc/95/02/80/425950280.db2.gz SYQNAAXHTCGTRI-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2nccn2C)CC1 ZINC000158863190 425950283 /nfs/dbraw/zinc/95/02/83/425950283.db2.gz SYQNAAXHTCGTRI-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000125045174 425950482 /nfs/dbraw/zinc/95/04/82/425950482.db2.gz XXGVTQGDOSDTJP-QFIPXVFZSA-N 2 1 319.474 2.841 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1ccc([S@@](C)=O)cc1 ZINC000125045174 425950484 /nfs/dbraw/zinc/95/04/84/425950484.db2.gz XXGVTQGDOSDTJP-QFIPXVFZSA-N 2 1 319.474 2.841 20 0 DFADMP CCN(CC)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158945438 425951151 /nfs/dbraw/zinc/95/11/51/425951151.db2.gz YGVNVDSAUXVCAG-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)Oc2cccc(OC)c2)[C@H](C)C1 ZINC000125078578 425952258 /nfs/dbraw/zinc/95/22/58/425952258.db2.gz OUZXXSNKXXTTBD-RKVPGOIHSA-N 2 1 306.450 2.782 20 0 DFADMP CC(C)[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCC1 ZINC000159204914 425956842 /nfs/dbraw/zinc/95/68/42/425956842.db2.gz OYSGKSCGAOYRJY-GOSISDBHSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@@H]2C)CC1)[NH+]1CCCCCC1 ZINC000125280576 425963830 /nfs/dbraw/zinc/96/38/30/425963830.db2.gz SICQIBCDVWHQNC-DLBZAZTESA-N 2 1 321.509 2.726 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174486 425968477 /nfs/dbraw/zinc/96/84/77/425968477.db2.gz YRIHCGOCFSUHCK-CHWSQXEVSA-N 2 1 309.841 2.728 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000070170771 425968999 /nfs/dbraw/zinc/96/89/99/425968999.db2.gz QQUIZBHUSVFKFK-LBPRGKRZSA-N 2 1 310.825 2.672 20 0 DFADMP Cc1noc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000125481972 425974042 /nfs/dbraw/zinc/97/40/42/425974042.db2.gz NUVRSLZRLIQQHX-UHFFFAOYSA-N 2 1 303.410 2.543 20 0 DFADMP Cc1cc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)on1 ZINC000125544585 425978626 /nfs/dbraw/zinc/97/86/26/425978626.db2.gz KJRCCNXQXKAXBM-CQSZACIVSA-N 2 1 303.406 2.774 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000073035852 426022676 /nfs/dbraw/zinc/02/26/76/426022676.db2.gz QCWHHNHOLMPYEJ-MRXNPFEDSA-N 2 1 323.525 2.734 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000161588789 426030447 /nfs/dbraw/zinc/03/04/47/426030447.db2.gz OXYJZZPNUKFSAW-RRFJBIMHSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161588789 426030450 /nfs/dbraw/zinc/03/04/50/426030450.db2.gz OXYJZZPNUKFSAW-RRFJBIMHSA-N 2 1 304.434 2.981 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000126809629 426037432 /nfs/dbraw/zinc/03/74/32/426037432.db2.gz CYWXRAKPIQAFQX-WBVHZDCISA-N 2 1 304.482 2.748 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cn1 ZINC000126809629 426037436 /nfs/dbraw/zinc/03/74/36/426037436.db2.gz CYWXRAKPIQAFQX-WBVHZDCISA-N 2 1 304.482 2.748 20 0 DFADMP CCCC[C@H](COC)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000162280338 426059172 /nfs/dbraw/zinc/05/91/72/426059172.db2.gz ITIUHBNSLRCUQD-QGZVFWFLSA-N 2 1 320.481 2.857 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420338 426063944 /nfs/dbraw/zinc/06/39/44/426063944.db2.gz UWYDRYKFXGDWTN-SOLBZPMBSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420338 426063945 /nfs/dbraw/zinc/06/39/45/426063945.db2.gz UWYDRYKFXGDWTN-SOLBZPMBSA-N 2 1 316.493 2.890 20 0 DFADMP CN(CC[N@@H+](C)CCc1ccccc1Cl)C1CC[NH+](C)CC1 ZINC000126447165 426020052 /nfs/dbraw/zinc/02/00/52/426020052.db2.gz NJUIOERXBPCWBS-UHFFFAOYSA-N 2 1 323.912 2.840 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCNc1ncc(Cl)cc1Cl ZINC000163115007 426090432 /nfs/dbraw/zinc/09/04/32/426090432.db2.gz FSGVGMCQEUXAHH-GWCFXTLKSA-N 2 1 317.264 2.730 20 0 DFADMP COc1cc(OC)cc([C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)c1 ZINC000163237405 426094425 /nfs/dbraw/zinc/09/44/25/426094425.db2.gz AFKLBBUEGZNNHL-DOTOQJQBSA-N 2 1 318.461 2.977 20 0 DFADMP COc1cc(OC)cc([C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)c1 ZINC000163237405 426094430 /nfs/dbraw/zinc/09/44/30/426094430.db2.gz AFKLBBUEGZNNHL-DOTOQJQBSA-N 2 1 318.461 2.977 20 0 DFADMP COc1cc(OC)cc([C@H]2CC[NH+](CC[C@H]3CCC[N@H+]3C)C2)c1 ZINC000163237405 426094433 /nfs/dbraw/zinc/09/44/33/426094433.db2.gz AFKLBBUEGZNNHL-DOTOQJQBSA-N 2 1 318.461 2.977 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCCC3=O)cc2)C1 ZINC000163296488 426096414 /nfs/dbraw/zinc/09/64/14/426096414.db2.gz NSEHILAPXJJMRU-HOTGVXAUSA-N 2 1 315.461 2.806 20 0 DFADMP C[N@@H+](Cc1ccccc1NC(=O)[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000163459479 426099750 /nfs/dbraw/zinc/09/97/50/426099750.db2.gz MLSOLUYQIJSDBL-OAHLLOKOSA-N 2 1 315.461 2.999 20 0 DFADMP Cc1cccc(NC[C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000163461769 426100810 /nfs/dbraw/zinc/10/08/10/426100810.db2.gz AXDYKRBAGZXKHG-SJORKVTESA-N 2 1 302.466 2.608 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000163461769 426100813 /nfs/dbraw/zinc/10/08/13/426100813.db2.gz AXDYKRBAGZXKHG-SJORKVTESA-N 3 1 302.466 2.608 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000163461769 426100817 /nfs/dbraw/zinc/10/08/17/426100817.db2.gz AXDYKRBAGZXKHG-SJORKVTESA-N 3 1 302.466 2.608 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(Cl)cc1 ZINC000128156710 426104317 /nfs/dbraw/zinc/10/43/17/426104317.db2.gz LSGVYNFVYCPRRO-HIFRSBDPSA-N 2 1 323.868 2.578 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000113198568 426106053 /nfs/dbraw/zinc/10/60/53/426106053.db2.gz SJBHVVPRAGFABJ-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000128208858 426106340 /nfs/dbraw/zinc/10/63/40/426106340.db2.gz NNPJNPDBFDQSTG-DLBZAZTESA-N 2 1 309.498 2.522 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)s1 ZINC000128207668 426106467 /nfs/dbraw/zinc/10/64/67/426106467.db2.gz IACURVPHXYZXBY-KGLIPLIRSA-N 2 1 323.506 2.549 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H](C)C3CCOCC3)CC2)[nH+]1 ZINC000128248669 426109225 /nfs/dbraw/zinc/10/92/25/426109225.db2.gz QFAYGCORDQBZEV-OAHLLOKOSA-N 2 1 303.450 2.764 20 0 DFADMP Cc1cccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1C ZINC000128275302 426110134 /nfs/dbraw/zinc/11/01/34/426110134.db2.gz WFHCOFUUYGKDBM-GOSISDBHSA-N 2 1 303.494 2.982 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000163846861 426111072 /nfs/dbraw/zinc/11/10/72/426111072.db2.gz HZMVOXWOBZRMMJ-BXWFABGCSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000163846861 426111076 /nfs/dbraw/zinc/11/10/76/426111076.db2.gz HZMVOXWOBZRMMJ-BXWFABGCSA-N 2 1 312.461 2.981 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000164591539 426115852 /nfs/dbraw/zinc/11/58/52/426115852.db2.gz SIOOCALZYRIRRB-HOTGVXAUSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000164570662 426115922 /nfs/dbraw/zinc/11/59/22/426115922.db2.gz JUYXJSQSQLPRNF-CJNGLKHVSA-N 2 1 319.474 2.662 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CSC[NH2+]2)cc1 ZINC000164570662 426115926 /nfs/dbraw/zinc/11/59/26/426115926.db2.gz JUYXJSQSQLPRNF-CJNGLKHVSA-N 2 1 319.474 2.662 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCCC[NH2+]3)cc2)C1 ZINC000164571599 426116112 /nfs/dbraw/zinc/11/61/12/426116112.db2.gz BBYCLUNQXBPGKC-MAUKXSAKSA-N 2 1 315.461 2.999 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000113515085 426116792 /nfs/dbraw/zinc/11/67/92/426116792.db2.gz ODGLJMYCCBSYAC-ZDUSSCGKSA-N 2 1 302.340 2.969 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)(F)F)cc2)C1 ZINC000113515085 426116796 /nfs/dbraw/zinc/11/67/96/426116796.db2.gz ODGLJMYCCBSYAC-ZDUSSCGKSA-N 2 1 302.340 2.969 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113516184 426117014 /nfs/dbraw/zinc/11/70/14/426117014.db2.gz KVKKLSGLHKENAF-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000113516184 426117019 /nfs/dbraw/zinc/11/70/19/426117019.db2.gz KVKKLSGLHKENAF-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(C)c1 ZINC000128498526 426119802 /nfs/dbraw/zinc/11/98/02/426119802.db2.gz DOQJAPVHZNBIEL-SFHVURJKSA-N 2 1 303.494 2.982 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)CC1 ZINC000166057849 426125506 /nfs/dbraw/zinc/12/55/06/426125506.db2.gz JRFDZEOIIHPICE-HDMKZQKVSA-N 2 1 323.525 2.732 20 0 DFADMP Cc1noc(C)c1CC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000165992731 426125694 /nfs/dbraw/zinc/12/56/94/426125694.db2.gz SKCDJFQWLDDLNF-MRXNPFEDSA-N 2 1 314.433 2.971 20 0 DFADMP Cc1noc(C)c1CC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000165992731 426125696 /nfs/dbraw/zinc/12/56/96/426125696.db2.gz SKCDJFQWLDDLNF-MRXNPFEDSA-N 2 1 314.433 2.971 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000114175033 426129420 /nfs/dbraw/zinc/12/94/20/426129420.db2.gz CIRVVTOTJOGRRU-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000114175033 426129422 /nfs/dbraw/zinc/12/94/22/426129422.db2.gz CIRVVTOTJOGRRU-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC000114453925 426136019 /nfs/dbraw/zinc/13/60/19/426136019.db2.gz NQCMGCMQALHRDS-INIZCTEOSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000127587473 426074433 /nfs/dbraw/zinc/07/44/33/426074433.db2.gz AOHFAXMOLGKUOS-HUUCEWRRSA-N 2 1 308.466 2.955 20 0 DFADMP c1cnn(CCCCC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)c1 ZINC000075834298 426086931 /nfs/dbraw/zinc/08/69/31/426086931.db2.gz SSMZEOQTLGAENE-GOSISDBHSA-N 2 1 304.482 2.861 20 0 DFADMP CC1CCC(O)(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CC1 ZINC000130400367 426158383 /nfs/dbraw/zinc/15/83/83/426158383.db2.gz MVMIJWGMNUBJDA-UHFFFAOYSA-N 2 1 305.466 2.616 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000115548908 426168070 /nfs/dbraw/zinc/16/80/70/426168070.db2.gz DPVIZEMKUFRUKD-LJQANCHMSA-N 2 1 302.462 2.843 20 0 DFADMP Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000078601939 426177193 /nfs/dbraw/zinc/17/71/93/426177193.db2.gz VTMDPIONTGCVIW-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000078601939 426177197 /nfs/dbraw/zinc/17/71/97/426177197.db2.gz VTMDPIONTGCVIW-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078704528 426181203 /nfs/dbraw/zinc/18/12/03/426181203.db2.gz NKWQVQVRQCQJPP-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000078704528 426181206 /nfs/dbraw/zinc/18/12/06/426181206.db2.gz NKWQVQVRQCQJPP-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000078704528 426181208 /nfs/dbraw/zinc/18/12/08/426181208.db2.gz NKWQVQVRQCQJPP-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000078704528 426181212 /nfs/dbraw/zinc/18/12/12/426181212.db2.gz NKWQVQVRQCQJPP-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134084376 426184652 /nfs/dbraw/zinc/18/46/52/426184652.db2.gz UFDKIWBOUAEGSM-WDSOQIARSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2CCCCC2)CC1 ZINC000079905478 426206295 /nfs/dbraw/zinc/20/62/95/426206295.db2.gz YJWUXTIOQOTUNO-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000078998943 426187661 /nfs/dbraw/zinc/18/76/61/426187661.db2.gz UQHMGMQQZSQHAG-UHFFFAOYSA-N 2 1 323.481 2.602 20 0 DFADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCCCCC1 ZINC000116397225 426188519 /nfs/dbraw/zinc/18/85/19/426188519.db2.gz VUPLKVMZLQANCH-HOTGVXAUSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000116396939 426188750 /nfs/dbraw/zinc/18/87/50/426188750.db2.gz FVQPEZMIBVUHMD-DOTOQJQBSA-N 2 1 319.493 2.994 20 0 DFADMP CC[C@H](C(=O)OC)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000171501524 426191302 /nfs/dbraw/zinc/19/13/02/426191302.db2.gz JNBCDPSECUXPBI-GOSISDBHSA-N 2 1 318.461 2.782 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000134766274 426194154 /nfs/dbraw/zinc/19/41/54/426194154.db2.gz HOZVHVLGYOANIG-HNNXBMFYSA-N 2 1 316.445 2.907 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000172623856 426229748 /nfs/dbraw/zinc/22/97/48/426229748.db2.gz KCGLVAVZZICBDW-GOSISDBHSA-N 2 1 321.509 2.726 20 0 DFADMP C[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1csc(Br)c1 ZINC000084385356 426237700 /nfs/dbraw/zinc/23/77/00/426237700.db2.gz ZIBMKODLAFXVGT-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP COc1c(C)cnc(C[N@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000136291897 426238364 /nfs/dbraw/zinc/23/83/64/426238364.db2.gz YCYZZIGWNGOPJG-UHFFFAOYSA-N 2 1 302.422 2.734 20 0 DFADMP COc1c(C)cnc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000136291897 426238367 /nfs/dbraw/zinc/23/83/67/426238367.db2.gz YCYZZIGWNGOPJG-UHFFFAOYSA-N 2 1 302.422 2.734 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CC2CCC2)CC1)Cc1ccccc1 ZINC000173719543 426245874 /nfs/dbraw/zinc/24/58/74/426245874.db2.gz RCRQGWDRSQAWKJ-UHFFFAOYSA-N 2 1 301.478 2.536 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC000086248131 426256876 /nfs/dbraw/zinc/25/68/76/426256876.db2.gz AIGIXSWZOGCOOQ-CQSZACIVSA-N 2 1 314.433 2.698 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC000086248131 426256878 /nfs/dbraw/zinc/25/68/78/426256878.db2.gz AIGIXSWZOGCOOQ-CQSZACIVSA-N 2 1 314.433 2.698 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc[nH]c3)CC2)oc1C ZINC000086253671 426257165 /nfs/dbraw/zinc/25/71/65/426257165.db2.gz YIEMBUSJYCTFIH-UHFFFAOYSA-N 2 1 302.422 2.621 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000119101678 426263033 /nfs/dbraw/zinc/26/30/33/426263033.db2.gz XVZXXVMGTVPMBD-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119101678 426263035 /nfs/dbraw/zinc/26/30/35/426263035.db2.gz XVZXXVMGTVPMBD-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119101678 426263039 /nfs/dbraw/zinc/26/30/39/426263039.db2.gz XVZXXVMGTVPMBD-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000119101678 426263041 /nfs/dbraw/zinc/26/30/41/426263041.db2.gz XVZXXVMGTVPMBD-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000119101678 426263043 /nfs/dbraw/zinc/26/30/43/426263043.db2.gz XVZXXVMGTVPMBD-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104725 426326665 /nfs/dbraw/zinc/32/66/65/426326665.db2.gz TUFONLWTNSNCRV-JTDSTZFVSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000121237138 426327247 /nfs/dbraw/zinc/32/72/47/426327247.db2.gz FSBUCLVCWARCHR-VQHPVUNQSA-N 2 1 305.466 2.735 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@H](C)C1 ZINC000090658560 426329317 /nfs/dbraw/zinc/32/93/17/426329317.db2.gz JMQOTWCQEZLPGE-ZBFHGGJFSA-N 2 1 314.433 2.599 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc(C(F)(F)F)cs1 ZINC000152212591 426332293 /nfs/dbraw/zinc/33/22/93/426332293.db2.gz GALIRLNRTSAZFC-UWVGGRQHSA-N 2 1 307.385 2.634 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000151124282 426279032 /nfs/dbraw/zinc/27/90/32/426279032.db2.gz HXBYOIBAEXOJHZ-PDSXEYIOSA-N 2 1 308.491 2.807 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000153723396 426401880 /nfs/dbraw/zinc/40/18/80/426401880.db2.gz ACTROZLIIMGNRJ-HNNXBMFYSA-N 2 1 312.454 2.921 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000153723396 426401881 /nfs/dbraw/zinc/40/18/81/426401881.db2.gz ACTROZLIIMGNRJ-HNNXBMFYSA-N 2 1 312.454 2.921 20 0 DFADMP COC[C@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000153735335 426403154 /nfs/dbraw/zinc/40/31/54/426403154.db2.gz RJMPEANIEQAJIS-INIZCTEOSA-N 2 1 303.381 2.834 20 0 DFADMP C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000152368511 426341185 /nfs/dbraw/zinc/34/11/85/426341185.db2.gz NTSDYYZXAWAGJY-MRXNPFEDSA-N 3 1 305.510 2.857 20 0 DFADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000152368511 426341189 /nfs/dbraw/zinc/34/11/89/426341189.db2.gz NTSDYYZXAWAGJY-MRXNPFEDSA-N 3 1 305.510 2.857 20 0 DFADMP C([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000152368511 426341190 /nfs/dbraw/zinc/34/11/90/426341190.db2.gz NTSDYYZXAWAGJY-MRXNPFEDSA-N 3 1 305.510 2.857 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043297 426346120 /nfs/dbraw/zinc/34/61/20/426346120.db2.gz ZXJHHCZRZOGICO-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043297 426346125 /nfs/dbraw/zinc/34/61/25/426346125.db2.gz ZXJHHCZRZOGICO-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043297 426346128 /nfs/dbraw/zinc/34/61/28/426346128.db2.gz ZXJHHCZRZOGICO-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CCC[N@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC1CC1 ZINC000176112777 426353026 /nfs/dbraw/zinc/35/30/26/426353026.db2.gz VGHOUVBXQGFBSZ-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984441 426365146 /nfs/dbraw/zinc/36/51/46/426365146.db2.gz JAVDBZNPWXAVIW-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984441 426365149 /nfs/dbraw/zinc/36/51/49/426365149.db2.gz JAVDBZNPWXAVIW-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984441 426365151 /nfs/dbraw/zinc/36/51/51/426365151.db2.gz JAVDBZNPWXAVIW-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984441 426365156 /nfs/dbraw/zinc/36/51/56/426365156.db2.gz JAVDBZNPWXAVIW-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122458582 426376374 /nfs/dbraw/zinc/37/63/74/426376374.db2.gz VJTMXVBTXUXCLE-KSSFIOAISA-N 2 1 315.461 2.855 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000122458582 426376377 /nfs/dbraw/zinc/37/63/77/426376377.db2.gz VJTMXVBTXUXCLE-KSSFIOAISA-N 2 1 315.461 2.855 20 0 DFADMP CC(C)CSCCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000153521272 426389647 /nfs/dbraw/zinc/38/96/47/426389647.db2.gz XDBNWYAPTDCQJQ-KRWDZBQOSA-N 2 1 314.539 2.810 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000176829449 426418577 /nfs/dbraw/zinc/41/85/77/426418577.db2.gz RVAQGKPTTWUGAP-UHFFFAOYSA-N 2 1 300.446 2.896 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000123450028 426434194 /nfs/dbraw/zinc/43/41/94/426434194.db2.gz SEGFXEJLFKTXPH-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123450028 426434197 /nfs/dbraw/zinc/43/41/97/426434197.db2.gz SEGFXEJLFKTXPH-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000123450028 426434200 /nfs/dbraw/zinc/43/42/00/426434200.db2.gz SEGFXEJLFKTXPH-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000123450028 426434204 /nfs/dbraw/zinc/43/42/04/426434204.db2.gz SEGFXEJLFKTXPH-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccc(OCCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000123450028 426434206 /nfs/dbraw/zinc/43/42/06/426434206.db2.gz SEGFXEJLFKTXPH-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CC(C)[N@@H+]1C[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000177029380 426435747 /nfs/dbraw/zinc/43/57/47/426435747.db2.gz VAUCDQIUWGMREL-YOEHRIQHSA-N 2 1 318.465 2.598 20 0 DFADMP CC(C)C[C@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000123549505 426439882 /nfs/dbraw/zinc/43/98/82/426439882.db2.gz MHRGCILVHNFFTR-GOSISDBHSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C[C@H](C)O)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000341310753 269066482 /nfs/dbraw/zinc/06/64/82/269066482.db2.gz UYPOOXASKMNLIX-CABCVRRESA-N 2 1 308.441 2.582 20 0 DFADMP CC(C)C[C@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000341438526 269077206 /nfs/dbraw/zinc/07/72/06/269077206.db2.gz FPYVWJGNXVJIBH-LJQANCHMSA-N 2 1 318.509 2.612 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000177295906 426465367 /nfs/dbraw/zinc/46/53/67/426465367.db2.gz FXXJKRICGPTTNN-LSDHHAIUSA-N 2 1 314.433 2.835 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000124376693 426482287 /nfs/dbraw/zinc/48/22/87/426482287.db2.gz UNPYQEHDVARDOD-UONOGXRCSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000124376693 426482288 /nfs/dbraw/zinc/48/22/88/426482288.db2.gz UNPYQEHDVARDOD-UONOGXRCSA-N 2 1 304.434 2.839 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264164924 426508481 /nfs/dbraw/zinc/50/84/81/426508481.db2.gz IYQVZYWSCKARFV-INIZCTEOSA-N 2 1 317.477 2.743 20 0 DFADMP CC(C)C[NH+]1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000195324248 426516689 /nfs/dbraw/zinc/51/66/89/426516689.db2.gz QNQOGPNRIRVLKH-SFHVURJKSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000177756763 426516869 /nfs/dbraw/zinc/51/68/69/426516869.db2.gz PURDNEKFCSRPAG-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000186510218 426541111 /nfs/dbraw/zinc/54/11/11/426541111.db2.gz YKPORBWMBCVVTD-KHBBMSQDSA-N 2 1 314.473 2.814 20 0 DFADMP OCc1ccc(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280296299 426543683 /nfs/dbraw/zinc/54/36/83/426543683.db2.gz FLVXBOHCNXAKPZ-OYRHEFFESA-N 2 1 322.452 2.743 20 0 DFADMP OCc1ccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280296299 426543689 /nfs/dbraw/zinc/54/36/89/426543689.db2.gz FLVXBOHCNXAKPZ-OYRHEFFESA-N 2 1 322.452 2.743 20 0 DFADMP OCc1ccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280296299 426543691 /nfs/dbraw/zinc/54/36/91/426543691.db2.gz FLVXBOHCNXAKPZ-OYRHEFFESA-N 2 1 322.452 2.743 20 0 DFADMP OCc1ccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)cc1 ZINC000280296299 426543697 /nfs/dbraw/zinc/54/36/97/426543697.db2.gz FLVXBOHCNXAKPZ-OYRHEFFESA-N 2 1 322.452 2.743 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H](O)CCC(C)C)C2)[nH+]1 ZINC000280317791 426547815 /nfs/dbraw/zinc/54/78/15/426547815.db2.gz PBNXPZSWJZQIFZ-IRXDYDNUSA-N 2 1 305.466 2.921 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)CCC(C)C)C2)[nH+]1 ZINC000280317791 426547817 /nfs/dbraw/zinc/54/78/17/426547817.db2.gz PBNXPZSWJZQIFZ-IRXDYDNUSA-N 2 1 305.466 2.921 20 0 DFADMP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272537093 426551549 /nfs/dbraw/zinc/55/15/49/426551549.db2.gz RKEXHCJGBHPZPY-IEBWSBKVSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000272537093 426551552 /nfs/dbraw/zinc/55/15/52/426551552.db2.gz RKEXHCJGBHPZPY-IEBWSBKVSA-N 2 1 303.494 2.828 20 0 DFADMP CC(C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000178117629 426573296 /nfs/dbraw/zinc/57/32/96/426573296.db2.gz LUDPOMDIHGOSRC-IBGZPJMESA-N 2 1 322.468 2.829 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000178117616 426574564 /nfs/dbraw/zinc/57/45/64/426574564.db2.gz LUDPOMDIHGOSRC-LJQANCHMSA-N 2 1 322.468 2.829 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)C12CCOCC2 ZINC000186730536 426586091 /nfs/dbraw/zinc/58/60/91/426586091.db2.gz WXLJLFJRNSILKK-BZSNNMDCSA-N 2 1 324.509 2.815 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CCC2(C1)Oc1ccccc1O2 ZINC000289140556 426590920 /nfs/dbraw/zinc/59/09/20/426590920.db2.gz YLPAYLXLMZMDDK-OAHLLOKOSA-N 2 1 302.418 2.734 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCSC2(CCOCC2)C1 ZINC000186799732 426595085 /nfs/dbraw/zinc/59/50/85/426595085.db2.gz UGSQHTJOEGYCKQ-UHFFFAOYSA-N 2 1 309.479 2.570 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCSC2(CCOCC2)C1 ZINC000186799732 426595090 /nfs/dbraw/zinc/59/50/90/426595090.db2.gz UGSQHTJOEGYCKQ-UHFFFAOYSA-N 2 1 309.479 2.570 20 0 DFADMP C[C@H](NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000178278466 426597986 /nfs/dbraw/zinc/59/79/86/426597986.db2.gz ZUKWTLKPHMMNBT-JKSUJKDBSA-N 2 1 323.525 2.734 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000265218286 426599254 /nfs/dbraw/zinc/59/92/54/426599254.db2.gz NTYDAKSUOCDQGR-UKRRQHHQSA-N 2 1 317.437 2.507 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](Nc2[nH+]cnc3[nH]ccc32)[C@H](C)C1 ZINC000265218286 426599257 /nfs/dbraw/zinc/59/92/57/426599257.db2.gz NTYDAKSUOCDQGR-UKRRQHHQSA-N 2 1 317.437 2.507 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc(C)c1 ZINC000178305120 426601435 /nfs/dbraw/zinc/60/14/35/426601435.db2.gz BLRXVCKULKQNBT-KRWDZBQOSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1cccc(C)c1 ZINC000178305120 426601437 /nfs/dbraw/zinc/60/14/37/426601437.db2.gz BLRXVCKULKQNBT-KRWDZBQOSA-N 2 1 312.417 2.603 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000186878343 426602197 /nfs/dbraw/zinc/60/21/97/426602197.db2.gz WXGHQJMIFOEYKC-UXPWSPDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186878343 426602204 /nfs/dbraw/zinc/60/22/04/426602204.db2.gz WXGHQJMIFOEYKC-UXPWSPDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186878343 426602209 /nfs/dbraw/zinc/60/22/09/426602209.db2.gz WXGHQJMIFOEYKC-UXPWSPDFSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1cc(F)ccc1F ZINC000178311458 426603971 /nfs/dbraw/zinc/60/39/71/426603971.db2.gz KTRMBBNAVZRUJI-PBHICJAKSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1cc(F)ccc1F ZINC000178311458 426603975 /nfs/dbraw/zinc/60/39/75/426603975.db2.gz KTRMBBNAVZRUJI-PBHICJAKSA-N 2 1 321.371 2.668 20 0 DFADMP C[C@@H]1CC[C@H](C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607581 426614061 /nfs/dbraw/zinc/61/40/61/426614061.db2.gz XLLJBQWCMWDWCC-OQIJWPOYSA-N 2 1 300.446 2.618 20 0 DFADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607581 426614064 /nfs/dbraw/zinc/61/40/64/426614064.db2.gz XLLJBQWCMWDWCC-OQIJWPOYSA-N 2 1 300.446 2.618 20 0 DFADMP C[C@@H]1CC[C@H](C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)O1 ZINC000280607581 426614068 /nfs/dbraw/zinc/61/40/68/426614068.db2.gz XLLJBQWCMWDWCC-OQIJWPOYSA-N 2 1 300.446 2.618 20 0 DFADMP CCC[N@H+](CC(=O)Nc1ccc(Cl)cc1)CC1CC[NH2+]CC1 ZINC000236971865 426686250 /nfs/dbraw/zinc/68/62/50/426686250.db2.gz IPOOTIVTSIXXNG-UHFFFAOYSA-N 2 1 323.868 2.990 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000289412427 426649255 /nfs/dbraw/zinc/64/92/55/426649255.db2.gz AJRKTOFAIUJZFD-GOSISDBHSA-N 2 1 312.461 2.812 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000289412427 426649257 /nfs/dbraw/zinc/64/92/57/426649257.db2.gz AJRKTOFAIUJZFD-GOSISDBHSA-N 2 1 312.461 2.812 20 0 DFADMP COc1cc2c(N[C@H](C)C[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000280794589 426656367 /nfs/dbraw/zinc/65/63/67/426656367.db2.gz UZBVWKGIUZYCJS-GFCCVEGCSA-N 2 1 319.380 2.515 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(Cl)cc1 ZINC000289520859 426668405 /nfs/dbraw/zinc/66/84/05/426668405.db2.gz FYNLJQZKFNXCCH-CVEARBPZSA-N 2 1 305.809 2.736 20 0 DFADMP CC(C)[C@@H](CNC(=O)[C@@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236683634 426674170 /nfs/dbraw/zinc/67/41/70/426674170.db2.gz VEVRWDDQFHGRCA-MSOLQXFVSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000178681570 426674715 /nfs/dbraw/zinc/67/47/15/426674715.db2.gz CMQIARNFGCQDIQ-YYAJDYIMSA-N 2 1 318.461 2.563 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000178702650 426678840 /nfs/dbraw/zinc/67/88/40/426678840.db2.gz LWPNBCSLJCJDOM-QLEMLULZSA-N 2 1 319.474 2.916 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)N1CCCCCC1 ZINC000178703954 426678909 /nfs/dbraw/zinc/67/89/09/426678909.db2.gz VYQNSEYSUHAYGJ-HZPDHXFCSA-N 2 1 320.481 2.598 20 0 DFADMP Cn1cncc1CC[N@@H+](C)Cc1csc(Br)c1 ZINC000290060590 426683464 /nfs/dbraw/zinc/68/34/64/426683464.db2.gz PIDQSDQLXPBTOO-UHFFFAOYSA-N 2 1 314.252 2.919 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178752148 426688092 /nfs/dbraw/zinc/68/80/92/426688092.db2.gz JQTCGJKSPRDWKG-QZTJIDSGSA-N 2 1 321.509 2.761 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000187998196 426714442 /nfs/dbraw/zinc/71/44/42/426714442.db2.gz ZQFOZLNKWLNPTI-HOCLYGCPSA-N 2 1 321.896 2.770 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc([C@@H](C)O)s2)c1 ZINC000290209979 426717504 /nfs/dbraw/zinc/71/75/04/426717504.db2.gz DTYQVLMBBWAUNT-CYBMUJFWSA-N 2 1 319.474 2.938 20 0 DFADMP COC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000187777860 426692754 /nfs/dbraw/zinc/69/27/54/426692754.db2.gz VYUOEOFGDPPIPU-AEFFLSMTSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@@H]([NH2+]CCN1CC=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950705 426693021 /nfs/dbraw/zinc/69/30/21/426693021.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H](NCC[N@H+]1CC=CCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280950705 426693026 /nfs/dbraw/zinc/69/30/26/426693026.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280950705 426693027 /nfs/dbraw/zinc/69/30/27/426693027.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H](NCC[NH+]1CC=CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950705 426693033 /nfs/dbraw/zinc/69/30/33/426693033.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H](NCC[NH+]1CC=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950705 426693036 /nfs/dbraw/zinc/69/30/36/426693036.db2.gz JRKXKTANFHKBBB-UYAOXDASSA-N 2 1 313.489 2.749 20 0 DFADMP COC[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000187777882 426693124 /nfs/dbraw/zinc/69/31/24/426693124.db2.gz VYUOEOFGDPPIPU-WMZOPIPTSA-N 2 1 312.498 2.672 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245735912 426768576 /nfs/dbraw/zinc/76/85/76/426768576.db2.gz QUJGJYCYXJYEOA-AKHDSKFASA-N 2 1 302.462 2.789 20 0 DFADMP Cc1ccc2ncc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)n2c1 ZINC000290512595 426780936 /nfs/dbraw/zinc/78/09/36/426780936.db2.gz PPEVQHHPCOGHOM-KRWDZBQOSA-N 2 1 312.461 2.806 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@H](F)C[NH2+]3)cc2)C1 ZINC000188712779 426781822 /nfs/dbraw/zinc/78/18/22/426781822.db2.gz YMKALYRHDKKFFV-UKPHBRMFSA-N 2 1 319.424 2.557 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000274520062 426785516 /nfs/dbraw/zinc/78/55/16/426785516.db2.gz NTZLKYGPKLTLAN-ZYSHUDEJSA-N 2 1 302.462 2.567 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000179401274 426787116 /nfs/dbraw/zinc/78/71/16/426787116.db2.gz IVASLWYYBTXYDJ-UHFFFAOYSA-N 2 1 314.433 2.851 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)CC(=O)Nc1ccc(C)cc1 ZINC000179401274 426787122 /nfs/dbraw/zinc/78/71/22/426787122.db2.gz IVASLWYYBTXYDJ-UHFFFAOYSA-N 2 1 314.433 2.851 20 0 DFADMP CCOc1cc2c(cc1OCC)C[N@@H+](CC1CC[NH2+]CC1)CC2 ZINC000178956257 426724814 /nfs/dbraw/zinc/72/48/14/426724814.db2.gz HZGDIMNDVBYDGL-UHFFFAOYSA-N 2 1 318.461 2.842 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316435 426741882 /nfs/dbraw/zinc/74/18/82/426741882.db2.gz COVHEWFCKYHVPX-XJKSGUPXSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316435 426741886 /nfs/dbraw/zinc/74/18/86/426741886.db2.gz COVHEWFCKYHVPX-XJKSGUPXSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316435 426741890 /nfs/dbraw/zinc/74/18/90/426741890.db2.gz COVHEWFCKYHVPX-XJKSGUPXSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316435 426741894 /nfs/dbraw/zinc/74/18/94/426741894.db2.gz COVHEWFCKYHVPX-XJKSGUPXSA-N 2 1 318.490 2.921 20 0 DFADMP CCOC(=O)[C@H](CC)N(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266619378 426752031 /nfs/dbraw/zinc/75/20/31/426752031.db2.gz KRMXXSMQHQYGDU-MSOLQXFVSA-N 2 1 318.461 2.782 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)nc1 ZINC000179121373 426752826 /nfs/dbraw/zinc/75/28/26/426752826.db2.gz XTTMKHKGKHFNIN-AWEZNQCLSA-N 2 1 324.900 2.659 20 0 DFADMP CC(C)CN(C(=O)C[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1)C(C)C ZINC000245582079 426754796 /nfs/dbraw/zinc/75/47/96/426754796.db2.gz JBCUTBWDMYLCAM-DLBZAZTESA-N 2 1 320.481 2.659 20 0 DFADMP CCn1nc(CN(C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c2ccccc21 ZINC000290405991 426757341 /nfs/dbraw/zinc/75/73/41/426757341.db2.gz JSPLKQCPLMLKRE-WMLDXEAASA-N 2 1 300.450 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188515197 426759388 /nfs/dbraw/zinc/75/93/88/426759388.db2.gz JDRIIXPNAIYKJF-IPYPFGDCSA-N 2 1 321.431 2.579 20 0 DFADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000281782766 426765448 /nfs/dbraw/zinc/76/54/48/426765448.db2.gz XHDUBQWUXMCYGW-MLGOLLRUSA-N 2 1 315.392 2.870 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000266933949 426799262 /nfs/dbraw/zinc/79/92/62/426799262.db2.gz NNPVIROSGFIBLZ-ZNMIVQPWSA-N 2 1 303.450 2.948 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000267030586 426813727 /nfs/dbraw/zinc/81/37/27/426813727.db2.gz AUYCMDWKFMVDEP-UONOGXRCSA-N 2 1 308.422 2.791 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000246281780 426816620 /nfs/dbraw/zinc/81/66/20/426816620.db2.gz MPJJFOHGHCTSPS-VQHPVUNQSA-N 2 1 321.509 2.534 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nc3ccccc3n2C)C1 ZINC000267112696 426824872 /nfs/dbraw/zinc/82/48/72/426824872.db2.gz XWIVJQIBCYJMQU-INIZCTEOSA-N 2 1 314.477 2.780 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCc2nc3ccccc3n2C)C1 ZINC000267112696 426824874 /nfs/dbraw/zinc/82/48/74/426824874.db2.gz XWIVJQIBCYJMQU-INIZCTEOSA-N 2 1 314.477 2.780 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000267112696 426824877 /nfs/dbraw/zinc/82/48/77/426824877.db2.gz XWIVJQIBCYJMQU-INIZCTEOSA-N 2 1 314.477 2.780 20 0 DFADMP CCn1ccnc1[C@@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000295154605 426842037 /nfs/dbraw/zinc/84/20/37/426842037.db2.gz DAMDFMHZEVCLIE-OAHLLOKOSA-N 2 1 316.449 2.694 20 0 DFADMP Cc1ccccc1C[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282210470 426854186 /nfs/dbraw/zinc/85/41/86/426854186.db2.gz DHKYXWHKLVHHJN-QGZVFWFLSA-N 2 1 303.494 2.542 20 0 DFADMP CO[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000188831601 426793090 /nfs/dbraw/zinc/79/30/90/426793090.db2.gz HNWYQWOEZFWLMS-OALUTQOASA-N 2 1 302.462 2.851 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000179523643 426796881 /nfs/dbraw/zinc/79/68/81/426796881.db2.gz AMBRRVRRIJRYSO-AXYPVASZSA-N 2 1 323.431 2.782 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000179523643 426796887 /nfs/dbraw/zinc/79/68/87/426796887.db2.gz AMBRRVRRIJRYSO-AXYPVASZSA-N 2 1 323.431 2.782 20 0 DFADMP CN(C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000275542101 426868260 /nfs/dbraw/zinc/86/82/60/426868260.db2.gz SSLUBDOYXVYOCA-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000275542101 426868267 /nfs/dbraw/zinc/86/82/67/426868267.db2.gz SSLUBDOYXVYOCA-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH+](C)C1 ZINC000275542101 426868272 /nfs/dbraw/zinc/86/82/72/426868272.db2.gz SSLUBDOYXVYOCA-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C[C@@H](O)c1ccc(C(F)(F)F)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000275542101 426868275 /nfs/dbraw/zinc/86/82/75/426868275.db2.gz SSLUBDOYXVYOCA-SWLSCSKDSA-N 2 1 316.367 2.622 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@@H](C)C1 ZINC000246835345 426870076 /nfs/dbraw/zinc/87/00/76/426870076.db2.gz BHTGLRTYQIMCIF-FUHWJXTLSA-N 2 1 320.477 2.840 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@@H](C)C1 ZINC000246835345 426870079 /nfs/dbraw/zinc/87/00/79/426870079.db2.gz BHTGLRTYQIMCIF-FUHWJXTLSA-N 2 1 320.477 2.840 20 0 DFADMP COCC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000282282845 426871620 /nfs/dbraw/zinc/87/16/20/426871620.db2.gz RSRATOLPYKHVIZ-DLBZAZTESA-N 2 1 314.433 2.871 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000246864855 426874568 /nfs/dbraw/zinc/87/45/68/426874568.db2.gz CQXJHWSMZOMVMV-WVZRYYJFSA-N 2 1 323.431 2.862 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282315175 426879117 /nfs/dbraw/zinc/87/91/17/426879117.db2.gz NFDCRKJKBVCZMD-SFHVURJKSA-N 2 1 317.521 2.932 20 0 DFADMP CC[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305111232 426879811 /nfs/dbraw/zinc/87/98/11/426879811.db2.gz FZIOMUIPVVDKOH-QGZVFWFLSA-N 2 1 308.441 2.583 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H](C)C1 ZINC000246961846 426886804 /nfs/dbraw/zinc/88/68/04/426886804.db2.gz IPIPTGZDIBKQTG-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@@H](C)C1 ZINC000246961846 426886811 /nfs/dbraw/zinc/88/68/11/426886811.db2.gz IPIPTGZDIBKQTG-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000305170327 426891361 /nfs/dbraw/zinc/89/13/61/426891361.db2.gz ZPQJRNDLXNUKBL-MJGOQNOKSA-N 2 1 316.445 2.812 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000275678857 426892417 /nfs/dbraw/zinc/89/24/17/426892417.db2.gz WDLOFRGONBNBSH-GFCCVEGCSA-N 2 1 304.463 2.989 20 0 DFADMP CCn1nc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000275696243 426898230 /nfs/dbraw/zinc/89/82/30/426898230.db2.gz XHKHXOGHPXZZMS-AWEZNQCLSA-N 2 1 309.417 2.605 20 0 DFADMP CCn1nc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000275696252 426899335 /nfs/dbraw/zinc/89/93/35/426899335.db2.gz XHKHXOGHPXZZMS-CQSZACIVSA-N 2 1 309.417 2.605 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1c2ccccc2CC12CCOCC2 ZINC000291516985 426901696 /nfs/dbraw/zinc/90/16/96/426901696.db2.gz YJQFMOANEUOFLJ-GOSISDBHSA-N 2 1 311.429 2.646 20 0 DFADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000275713140 426902171 /nfs/dbraw/zinc/90/21/71/426902171.db2.gz YLVCNKTUENJXAS-ZDUSSCGKSA-N 2 1 304.463 2.890 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CC3CCOCC3)CC2)cc1 ZINC000337652668 426903210 /nfs/dbraw/zinc/90/32/10/426903210.db2.gz LJGVKMQQHJQEMK-UHFFFAOYSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305272964 426905544 /nfs/dbraw/zinc/90/55/44/426905544.db2.gz AJSFBQOEFUODLU-AITUJVMLSA-N 2 1 302.462 2.758 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000247174322 426909781 /nfs/dbraw/zinc/90/97/81/426909781.db2.gz UUEKYDDNYFMCOM-SOLBZPMBSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337665283 426910844 /nfs/dbraw/zinc/91/08/44/426910844.db2.gz LMJUVORQHUZZAO-ATZDWAIDSA-N 2 1 302.462 2.866 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337665283 426910850 /nfs/dbraw/zinc/91/08/50/426910850.db2.gz LMJUVORQHUZZAO-ATZDWAIDSA-N 2 1 302.462 2.866 20 0 DFADMP COc1ccc(Br)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291716786 426961222 /nfs/dbraw/zinc/96/12/22/426961222.db2.gz LYHPIAKEFMMURP-NSHDSACASA-N 2 1 315.255 2.745 20 0 DFADMP OC[C@]1(Cc2ccccc2)CCC[N@@H+](CCCn2ccnc2)C1 ZINC000291712269 426961472 /nfs/dbraw/zinc/96/14/72/426961472.db2.gz IPOGOIFLWAVKBC-IBGZPJMESA-N 2 1 313.445 2.590 20 0 DFADMP CC[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961281 426967139 /nfs/dbraw/zinc/96/71/39/426967139.db2.gz GGAICTPKPXLIFT-QYZOEREBSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247961281 426967145 /nfs/dbraw/zinc/96/71/45/426967145.db2.gz GGAICTPKPXLIFT-QYZOEREBSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247961281 426967152 /nfs/dbraw/zinc/96/71/52/426967152.db2.gz GGAICTPKPXLIFT-QYZOEREBSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000181591091 426968403 /nfs/dbraw/zinc/96/84/03/426968403.db2.gz NILDMHVDBZYGHQ-GJYPPUQNSA-N 2 1 316.493 2.679 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181591091 426968410 /nfs/dbraw/zinc/96/84/10/426968410.db2.gz NILDMHVDBZYGHQ-GJYPPUQNSA-N 2 1 316.493 2.679 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H](C)C1 ZINC000248049246 426975907 /nfs/dbraw/zinc/97/59/07/426975907.db2.gz VVWAOTHNHAUGER-IXDOHACOSA-N 2 1 305.466 2.736 20 0 DFADMP Cc1cc[nH+]c(NCc2ccc(C[NH+]3CCC(O)CC3)cc2)c1 ZINC000268284929 426977757 /nfs/dbraw/zinc/97/77/57/426977757.db2.gz CCYAUWVOEAEPGN-UHFFFAOYSA-N 2 1 311.429 2.959 20 0 DFADMP OCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000189936021 426985240 /nfs/dbraw/zinc/98/52/40/426985240.db2.gz LVSOEILTWAZYRM-HKUYNNGSSA-N 2 1 302.462 2.792 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000314692123 426931253 /nfs/dbraw/zinc/93/12/53/426931253.db2.gz IOZAZAIIFWGMOD-HOTGVXAUSA-N 2 1 303.450 2.671 20 0 DFADMP COc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1OC ZINC000314652317 426931544 /nfs/dbraw/zinc/93/15/44/426931544.db2.gz DEZSUOOWSKEPPA-GDBMZVCRSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1OC ZINC000314652317 426931549 /nfs/dbraw/zinc/93/15/49/426931549.db2.gz DEZSUOOWSKEPPA-GDBMZVCRSA-N 2 1 304.434 2.668 20 0 DFADMP CN(Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[N@@H+](C)C1 ZINC000275870921 426936307 /nfs/dbraw/zinc/93/63/07/426936307.db2.gz YBOFFUQEVVTRSN-OAHLLOKOSA-N 2 1 304.434 2.715 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[NH+](C)C1 ZINC000275870921 426936311 /nfs/dbraw/zinc/93/63/11/426936311.db2.gz YBOFFUQEVVTRSN-OAHLLOKOSA-N 2 1 304.434 2.715 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@@H]1CC[NH+](C)C1 ZINC000275870921 426936315 /nfs/dbraw/zinc/93/63/15/426936315.db2.gz YBOFFUQEVVTRSN-OAHLLOKOSA-N 2 1 304.434 2.715 20 0 DFADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000296037612 427056020 /nfs/dbraw/zinc/05/60/20/427056020.db2.gz PMTMXEIJCPBUOD-HNNXBMFYSA-N 2 1 309.404 2.881 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000296037612 427056028 /nfs/dbraw/zinc/05/60/28/427056028.db2.gz PMTMXEIJCPBUOD-HNNXBMFYSA-N 2 1 309.404 2.881 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC2CC(F)(F)C2)C1 ZINC000296037612 427056035 /nfs/dbraw/zinc/05/60/35/427056035.db2.gz PMTMXEIJCPBUOD-HNNXBMFYSA-N 2 1 309.404 2.881 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC2CC(F)(F)C2)C1 ZINC000296037612 427056041 /nfs/dbraw/zinc/05/60/41/427056041.db2.gz PMTMXEIJCPBUOD-HNNXBMFYSA-N 2 1 309.404 2.881 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000296037612 427056048 /nfs/dbraw/zinc/05/60/48/427056048.db2.gz PMTMXEIJCPBUOD-HNNXBMFYSA-N 2 1 309.404 2.881 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000248901817 427061015 /nfs/dbraw/zinc/06/10/15/427061015.db2.gz ZCWGWPKGSAKKQO-HOTGVXAUSA-N 2 1 317.477 2.662 20 0 DFADMP C[C@@H]([NH2+]CCOCC(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276158740 426996816 /nfs/dbraw/zinc/99/68/16/426996816.db2.gz CYODOKXKDAISDP-ZBFHGGJFSA-N 2 1 312.404 2.768 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000181941554 426997747 /nfs/dbraw/zinc/99/77/47/426997747.db2.gz FEJCJNXPBMIXIG-DZGCQCFKSA-N 2 1 301.434 2.780 20 0 DFADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000248485064 427005987 /nfs/dbraw/zinc/00/59/87/427005987.db2.gz DTVWTWFRRAAVNC-ROUUACIJSA-N 2 1 305.466 2.749 20 0 DFADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000248485067 427007131 /nfs/dbraw/zinc/00/71/31/427007131.db2.gz DTVWTWFRRAAVNC-ZWKOTPCHSA-N 2 1 305.466 2.749 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)CCN1C ZINC000190052871 427011713 /nfs/dbraw/zinc/01/17/13/427011713.db2.gz MQJAXCCQFSPXAL-MAUKXSAKSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000190052871 427011720 /nfs/dbraw/zinc/01/17/20/427011720.db2.gz MQJAXCCQFSPXAL-MAUKXSAKSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000190052871 427011727 /nfs/dbraw/zinc/01/17/27/427011727.db2.gz MQJAXCCQFSPXAL-MAUKXSAKSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)CC[NH+]1C ZINC000190052871 427011731 /nfs/dbraw/zinc/01/17/31/427011731.db2.gz MQJAXCCQFSPXAL-MAUKXSAKSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)CC[NH+]1C ZINC000190052871 427011738 /nfs/dbraw/zinc/01/17/38/427011738.db2.gz MQJAXCCQFSPXAL-MAUKXSAKSA-N 2 1 302.462 2.969 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000276275266 427025260 /nfs/dbraw/zinc/02/52/60/427025260.db2.gz SQSTUAIBSOJEIT-AEFFLSMTSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C)[C@H](C)C1 ZINC000276275266 427025266 /nfs/dbraw/zinc/02/52/66/427025266.db2.gz SQSTUAIBSOJEIT-AEFFLSMTSA-N 2 1 305.466 2.617 20 0 DFADMP CC[C@]1(C)C[NH+](CCCC[N@H+]2CCO[C@](C)(CC)C2)CCO1 ZINC000248997553 427074161 /nfs/dbraw/zinc/07/41/61/427074161.db2.gz YEWHCLXMDKZZGD-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000249083144 427085791 /nfs/dbraw/zinc/08/57/91/427085791.db2.gz AUSHVGANJJFQNA-HUUCEWRRSA-N 2 1 321.431 2.725 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)c1ccncn1 ZINC000338008590 427090940 /nfs/dbraw/zinc/09/09/40/427090940.db2.gz PQYVJDYRVWDTML-GOSISDBHSA-N 2 1 307.401 2.751 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292108589 427091893 /nfs/dbraw/zinc/09/18/93/427091893.db2.gz IUBSUJLEQQANKN-QGZVFWFLSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292108589 427091898 /nfs/dbraw/zinc/09/18/98/427091898.db2.gz IUBSUJLEQQANKN-QGZVFWFLSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C2)C1 ZINC000292108589 427091904 /nfs/dbraw/zinc/09/19/04/427091904.db2.gz IUBSUJLEQQANKN-QGZVFWFLSA-N 2 1 321.852 2.696 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000182567665 427102851 /nfs/dbraw/zinc/10/28/51/427102851.db2.gz MMXPSPAANYMBSM-SJLPKXTDSA-N 2 1 306.425 2.640 20 0 DFADMP C(C[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1)C[NH+]1CCCCC1 ZINC000249290635 427103739 /nfs/dbraw/zinc/10/37/39/427103739.db2.gz AEXMUNUFIGGSGJ-DLBZAZTESA-N 2 1 312.523 2.849 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000268734644 427106309 /nfs/dbraw/zinc/10/63/09/427106309.db2.gz DBITURAZUVMRTR-HKUYNNGSSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000268734644 427106316 /nfs/dbraw/zinc/10/63/16/427106316.db2.gz DBITURAZUVMRTR-HKUYNNGSSA-N 2 1 312.461 2.773 20 0 DFADMP c1ccc(C[NH+]2CCC(N[C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)cc1 ZINC000268767802 427107785 /nfs/dbraw/zinc/10/77/85/427107785.db2.gz KGFDHEAQMWXIPI-WOJBJXKFSA-N 2 1 313.489 2.867 20 0 DFADMP Cc1cc(N2CC[C@@H]([N@@H+](C)CCO)[C@H]2C)c2cc(F)ccc2[nH+]1 ZINC000292149684 427108335 /nfs/dbraw/zinc/10/83/35/427108335.db2.gz CECFDULOCNXPCQ-CXAGYDPISA-N 2 1 317.408 2.574 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796219 427120253 /nfs/dbraw/zinc/12/02/53/427120253.db2.gz WRUVVKHWOHSHKT-BMGDILEWSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796219 427120258 /nfs/dbraw/zinc/12/02/58/427120258.db2.gz WRUVVKHWOHSHKT-BMGDILEWSA-N 2 1 311.433 2.545 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cccc(OC(F)F)c1 ZINC000268809908 427125549 /nfs/dbraw/zinc/12/55/49/427125549.db2.gz KNYHITGYSKASLE-ZDUSSCGKSA-N 2 1 316.392 2.907 20 0 DFADMP COc1ccsc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000268813356 427125701 /nfs/dbraw/zinc/12/57/01/427125701.db2.gz UTQLWLBHRAZWEW-OKILXGFUSA-N 2 1 312.479 2.736 20 0 DFADMP C[C@@H](c1nc(-c2ccccc2)no1)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292208767 427131204 /nfs/dbraw/zinc/13/12/04/427131204.db2.gz TUWFZEQUNGZUIS-KSSFIOAISA-N 2 1 312.417 2.825 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)CO ZINC000296341381 427152670 /nfs/dbraw/zinc/15/26/70/427152670.db2.gz HWEXIABQDYAONT-SJLPKXTDSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(C)(C)CO ZINC000296341377 427153336 /nfs/dbraw/zinc/15/33/36/427153336.db2.gz HWEXIABQDYAONT-FUHWJXTLSA-N 2 1 304.478 2.895 20 0 DFADMP CN1c2ccc(C[N@@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2CCC1=O ZINC000277289859 427153296 /nfs/dbraw/zinc/15/32/96/427153296.db2.gz AOKNUTMHEVEOCX-QGZVFWFLSA-N 2 1 315.461 2.512 20 0 DFADMP CN1c2ccc(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2CCC1=O ZINC000277289859 427153301 /nfs/dbraw/zinc/15/33/01/427153301.db2.gz AOKNUTMHEVEOCX-QGZVFWFLSA-N 2 1 315.461 2.512 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000163069564 271086603 /nfs/dbraw/zinc/08/66/03/271086603.db2.gz GHXINNDWRRVPML-INIZCTEOSA-N 2 1 301.438 2.678 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000163069564 271086606 /nfs/dbraw/zinc/08/66/06/271086606.db2.gz GHXINNDWRRVPML-INIZCTEOSA-N 2 1 301.438 2.678 20 0 DFADMP Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc(-n4ccnc4)nc3)C2)c1 ZINC000177142738 271176856 /nfs/dbraw/zinc/17/68/56/271176856.db2.gz ZGRLFGIFLIQENV-KRWDZBQOSA-N 2 1 322.416 2.609 20 0 DFADMP CCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000195454626 271234109 /nfs/dbraw/zinc/23/41/09/271234109.db2.gz BQSDQQKCBPQZER-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000236969609 271241771 /nfs/dbraw/zinc/24/17/71/271241771.db2.gz QPJXHIGEFNLIFO-XNJGSVPQSA-N 2 1 314.433 2.731 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)cc1)C(C)C ZINC000236993106 271243297 /nfs/dbraw/zinc/24/32/97/271243297.db2.gz OOMNYCILZMWGFS-QGZVFWFLSA-N 2 1 317.477 2.728 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])C1CCCCC1 ZINC000237145922 271244303 /nfs/dbraw/zinc/24/43/03/271244303.db2.gz JNGIZTZAVJQEGV-IRXDYDNUSA-N 2 1 309.498 2.665 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)ncn1 ZINC000292311584 427169142 /nfs/dbraw/zinc/16/91/42/427169142.db2.gz AJJHYEUYVVAIBP-OAHLLOKOSA-N 2 1 311.433 2.697 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)C1 ZINC000237553316 271250613 /nfs/dbraw/zinc/25/06/13/271250613.db2.gz KHKIPLQXCSLRLP-CQSZACIVSA-N 2 1 303.450 2.842 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000329764892 427170026 /nfs/dbraw/zinc/17/00/26/427170026.db2.gz WIFIWPSTDVCNCA-GOEBONIOSA-N 2 1 318.465 2.769 20 0 DFADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@H](Oc3cccnc3N(C)C)C2)o1 ZINC000333458616 271375655 /nfs/dbraw/zinc/37/56/55/271375655.db2.gz UADFJHVWVMBAMY-KBPBESRZSA-N 2 1 316.405 2.658 20 0 DFADMP Cc1cnc([C@H](C)[N@H+]2CC[C@H](Oc3cccnc3N(C)C)C2)o1 ZINC000333458616 271375658 /nfs/dbraw/zinc/37/56/58/271375658.db2.gz UADFJHVWVMBAMY-KBPBESRZSA-N 2 1 316.405 2.658 20 0 DFADMP c1ccc(C[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cccnc2)nc1 ZINC000338195010 427186773 /nfs/dbraw/zinc/18/67/73/427186773.db2.gz KDGTZMVSVCFIOW-OXJNMPFZSA-N 2 1 322.456 2.834 20 0 DFADMP OC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000284361209 427190369 /nfs/dbraw/zinc/19/03/69/427190369.db2.gz NAMMMLKBCDAENR-IPMKNSEASA-N 2 1 314.473 2.792 20 0 DFADMP C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284681273 427195094 /nfs/dbraw/zinc/19/50/94/427195094.db2.gz GXXGDZLXLUWOQN-WOJBJXKFSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284681273 427195100 /nfs/dbraw/zinc/19/51/00/427195100.db2.gz GXXGDZLXLUWOQN-WOJBJXKFSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284681273 427195108 /nfs/dbraw/zinc/19/51/08/427195108.db2.gz GXXGDZLXLUWOQN-WOJBJXKFSA-N 2 1 315.505 2.720 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)Cc1ccccc1 ZINC000253351277 427199951 /nfs/dbraw/zinc/19/99/51/427199951.db2.gz IYRIMFFUHZMMKF-LEAZDLGRSA-N 2 1 316.489 2.833 20 0 DFADMP C[NH+](C)Cc1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000190917154 427203617 /nfs/dbraw/zinc/20/36/17/427203617.db2.gz RQVZESPAVMGNAQ-UHFFFAOYSA-N 2 1 300.406 2.784 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000292916572 427204669 /nfs/dbraw/zinc/20/46/69/427204669.db2.gz HXNWUTYEXBGAPC-LJQANCHMSA-N 2 1 310.445 2.856 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292916572 427204677 /nfs/dbraw/zinc/20/46/77/427204677.db2.gz HXNWUTYEXBGAPC-LJQANCHMSA-N 2 1 310.445 2.856 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292916572 427204681 /nfs/dbraw/zinc/20/46/81/427204681.db2.gz HXNWUTYEXBGAPC-LJQANCHMSA-N 2 1 310.445 2.856 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000292916572 427204686 /nfs/dbraw/zinc/20/46/86/427204686.db2.gz HXNWUTYEXBGAPC-LJQANCHMSA-N 2 1 310.445 2.856 20 0 DFADMP CCCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183148550 427211091 /nfs/dbraw/zinc/21/10/91/427211091.db2.gz KTSYENGEHYIMES-KGLIPLIRSA-N 2 1 314.433 2.746 20 0 DFADMP OCCCCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285614803 427287628 /nfs/dbraw/zinc/28/76/28/427287628.db2.gz QGZDPRHCGIHMTP-IBGZPJMESA-N 2 1 302.462 2.747 20 0 DFADMP OCCCCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285614803 427287636 /nfs/dbraw/zinc/28/76/36/427287636.db2.gz QGZDPRHCGIHMTP-IBGZPJMESA-N 2 1 302.462 2.747 20 0 DFADMP OCCCCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285614803 427287640 /nfs/dbraw/zinc/28/76/40/427287640.db2.gz QGZDPRHCGIHMTP-IBGZPJMESA-N 2 1 302.462 2.747 20 0 DFADMP CCCNC(=O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285597862 427285713 /nfs/dbraw/zinc/28/57/13/427285713.db2.gz JPLZDTGNMCUSIK-UHFFFAOYSA-N 2 1 317.477 2.545 20 0 DFADMP CC1=CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CC1 ZINC000285423653 427227330 /nfs/dbraw/zinc/22/73/30/427227330.db2.gz YHHVKGYZLBYCRP-OALUTQOASA-N 2 1 300.446 2.842 20 0 DFADMP C(CO[C@H]1CCCCO1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338285693 427234626 /nfs/dbraw/zinc/23/46/26/427234626.db2.gz KIQHRXUOTCYKOB-UHOSZYNNSA-N 2 1 322.493 2.868 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338285693 427234631 /nfs/dbraw/zinc/23/46/31/427234631.db2.gz KIQHRXUOTCYKOB-UHOSZYNNSA-N 2 1 322.493 2.868 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338285693 427234637 /nfs/dbraw/zinc/23/46/37/427234637.db2.gz KIQHRXUOTCYKOB-UHOSZYNNSA-N 2 1 322.493 2.868 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000338284771 427236235 /nfs/dbraw/zinc/23/62/35/427236235.db2.gz VZGWYNRKAOYKJJ-UHFFFAOYSA-N 2 1 322.468 2.927 20 0 DFADMP CC(C)SCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000338309608 427251880 /nfs/dbraw/zinc/25/18/80/427251880.db2.gz PZKGOANFDBQTAS-SFHVURJKSA-N 2 1 322.518 2.697 20 0 DFADMP CC(C)SCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000338309608 427251891 /nfs/dbraw/zinc/25/18/91/427251891.db2.gz PZKGOANFDBQTAS-SFHVURJKSA-N 2 1 322.518 2.697 20 0 DFADMP CC(C)SCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000338309608 427251900 /nfs/dbraw/zinc/25/19/00/427251900.db2.gz PZKGOANFDBQTAS-SFHVURJKSA-N 2 1 322.518 2.697 20 0 DFADMP CC(C)SCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000338309608 427251904 /nfs/dbraw/zinc/25/19/04/427251904.db2.gz PZKGOANFDBQTAS-SFHVURJKSA-N 2 1 322.518 2.697 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000191287514 427308938 /nfs/dbraw/zinc/30/89/38/427308938.db2.gz ABXIXHOSQLAPCQ-SJORKVTESA-N 2 1 304.482 2.889 20 0 DFADMP COC(=O)CCC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285695119 427313348 /nfs/dbraw/zinc/31/33/48/427313348.db2.gz VONDHESTDMOQFN-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CCC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285695119 427313354 /nfs/dbraw/zinc/31/33/54/427313354.db2.gz VONDHESTDMOQFN-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CCC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285695119 427313355 /nfs/dbraw/zinc/31/33/55/427313355.db2.gz VONDHESTDMOQFN-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CCC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285695119 427313358 /nfs/dbraw/zinc/31/33/58/427313358.db2.gz VONDHESTDMOQFN-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP CC[C@H](C)NC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183681688 427318055 /nfs/dbraw/zinc/31/80/55/427318055.db2.gz OFDYJXACBMIOOJ-UONOGXRCSA-N 2 1 314.433 2.746 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)Cn2cc[nH+]c2C)cc1 ZINC000297085510 427323537 /nfs/dbraw/zinc/32/35/37/427323537.db2.gz MIGNQZUVPYXZOH-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP CCc1ccccc1CC[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000277822855 427330373 /nfs/dbraw/zinc/33/03/73/427330373.db2.gz VSKAYLIRMUEEHZ-QGZVFWFLSA-N 2 1 318.505 2.816 20 0 DFADMP c1cc(C[N@H+](CC2CC[NH2+]CC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000262137860 427353212 /nfs/dbraw/zinc/35/32/12/427353212.db2.gz DPONFKSSBFDZBT-QGZVFWFLSA-N 3 1 319.518 2.692 20 0 DFADMP CC[C@@H]1C[C@@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000261702649 427339045 /nfs/dbraw/zinc/33/90/45/427339045.db2.gz JLPQFUOCOMQYIV-AITUJVMLSA-N 2 1 302.462 2.866 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)Cc2ccc(O)cc2)CC1 ZINC000293530445 427353466 /nfs/dbraw/zinc/35/34/66/427353466.db2.gz DWJSCTMMNJBKSL-INIZCTEOSA-N 2 1 320.477 2.802 20 0 DFADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261970074 427346395 /nfs/dbraw/zinc/34/63/95/427346395.db2.gz YVRCVRMYCMHWHP-OXQOHEQNSA-N 2 1 309.457 2.880 20 0 DFADMP CC(C)c1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH3+])cc1 ZINC000262076818 427349477 /nfs/dbraw/zinc/34/94/77/427349477.db2.gz SSFSQJDYZSYKCS-SFHVURJKSA-N 2 1 317.477 2.630 20 0 DFADMP COc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000285615400 427289610 /nfs/dbraw/zinc/28/96/10/427289610.db2.gz WCCLYNNUOGWJDA-XYPWUTKMSA-N 2 1 304.434 2.631 20 0 DFADMP COc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000285615400 427289617 /nfs/dbraw/zinc/28/96/17/427289617.db2.gz WCCLYNNUOGWJDA-XYPWUTKMSA-N 2 1 304.434 2.631 20 0 DFADMP COc1ccc(OCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000285615400 427289626 /nfs/dbraw/zinc/28/96/26/427289626.db2.gz WCCLYNNUOGWJDA-XYPWUTKMSA-N 2 1 304.434 2.631 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](Cc1cccc(OC)c1)C1CC1 ZINC000269849274 427291001 /nfs/dbraw/zinc/29/10/01/427291001.db2.gz FLMAEWLEVTVACR-LJQANCHMSA-N 2 1 320.477 2.574 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000293351965 427295846 /nfs/dbraw/zinc/29/58/46/427295846.db2.gz HACBNOZELXMTAF-LMMKCTJWSA-N 2 1 303.494 2.684 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000293351965 427295853 /nfs/dbraw/zinc/29/58/53/427295853.db2.gz HACBNOZELXMTAF-LMMKCTJWSA-N 3 1 303.494 2.684 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000293351965 427295856 /nfs/dbraw/zinc/29/58/56/427295856.db2.gz HACBNOZELXMTAF-LMMKCTJWSA-N 3 1 303.494 2.684 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255869460 427297235 /nfs/dbraw/zinc/29/72/35/427297235.db2.gz JRRUNDJULNTKCK-JUIXODQZSA-N 2 1 313.489 2.802 20 0 DFADMP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255869460 427297240 /nfs/dbraw/zinc/29/72/40/427297240.db2.gz JRRUNDJULNTKCK-JUIXODQZSA-N 2 1 313.489 2.802 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255869460 427297244 /nfs/dbraw/zinc/29/72/44/427297244.db2.gz JRRUNDJULNTKCK-JUIXODQZSA-N 2 1 313.489 2.802 20 0 DFADMP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000338545780 427372330 /nfs/dbraw/zinc/37/23/30/427372330.db2.gz HQPKTTUPONTUPP-HNNXBMFYSA-N 2 1 319.449 2.713 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000338545780 427372335 /nfs/dbraw/zinc/37/23/35/427372335.db2.gz HQPKTTUPONTUPP-HNNXBMFYSA-N 2 1 319.449 2.713 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000293626490 427385248 /nfs/dbraw/zinc/38/52/48/427385248.db2.gz GEKVDGLHCHSTAK-LALPHHSUSA-N 2 1 315.383 2.961 20 0 DFADMP CN(C)CC1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCC1 ZINC000297285716 427385844 /nfs/dbraw/zinc/38/58/44/427385844.db2.gz ACAHHFFJHGPYGJ-UHFFFAOYSA-N 2 1 316.493 2.762 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293635033 427391977 /nfs/dbraw/zinc/39/19/77/427391977.db2.gz GUTIYFXLAXKEBD-MBNYWOFBSA-N 2 1 315.383 2.961 20 0 DFADMP CC[N@@H+](CCOC)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000271060383 427392464 /nfs/dbraw/zinc/39/24/64/427392464.db2.gz WOFLMSBTTCOQKH-UHFFFAOYSA-N 2 1 319.493 2.685 20 0 DFADMP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000286073562 427419778 /nfs/dbraw/zinc/41/97/78/427419778.db2.gz LERCVDCGDRRSTO-NXWXRZEISA-N 2 1 302.462 2.648 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191466571 427355555 /nfs/dbraw/zinc/35/55/55/427355555.db2.gz QFEJUXUCNTYKHK-DLBZAZTESA-N 2 1 311.514 2.735 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1CC2(CCC2)C(=O)O1)Cc1ccco1 ZINC000285860907 427357069 /nfs/dbraw/zinc/35/70/69/427357069.db2.gz YLAOOWDGPMMOHL-INIZCTEOSA-N 2 1 320.433 2.519 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000263299563 427456394 /nfs/dbraw/zinc/45/63/94/427456394.db2.gz ZAINGNUPLNSQCR-DLBZAZTESA-N 2 1 321.509 2.761 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H]1CCc2ccccc2NC1=O ZINC000192058452 427471245 /nfs/dbraw/zinc/47/12/45/427471245.db2.gz YWBPMGLRLUZPBZ-SJLPKXTDSA-N 2 1 324.428 2.609 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H]1CCc2ccccc2NC1=O ZINC000192058452 427471252 /nfs/dbraw/zinc/47/12/52/427471252.db2.gz YWBPMGLRLUZPBZ-SJLPKXTDSA-N 2 1 324.428 2.609 20 0 DFADMP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000286073565 427419986 /nfs/dbraw/zinc/41/99/86/427419986.db2.gz LERCVDCGDRRSTO-OQIJWPOYSA-N 2 1 302.462 2.648 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000191793222 427427717 /nfs/dbraw/zinc/42/77/17/427427717.db2.gz MWBOOHBEIPAJBH-MRXNPFEDSA-N 2 1 315.465 2.641 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](c2nnc3ccccn32)C1 ZINC000191793222 427427723 /nfs/dbraw/zinc/42/77/23/427427723.db2.gz MWBOOHBEIPAJBH-MRXNPFEDSA-N 2 1 315.465 2.641 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278383625 427429416 /nfs/dbraw/zinc/42/94/16/427429416.db2.gz CLJBISUOKHRTTR-SJORKVTESA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278383625 427429425 /nfs/dbraw/zinc/42/94/25/427429425.db2.gz CLJBISUOKHRTTR-SJORKVTESA-N 2 1 320.477 2.717 20 0 DFADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1F ZINC000271179500 427435237 /nfs/dbraw/zinc/43/52/37/427435237.db2.gz VMBGVMFTPIIZDH-OAHLLOKOSA-N 2 1 308.441 2.659 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000338784489 427487662 /nfs/dbraw/zinc/48/76/62/427487662.db2.gz KPXZOENPLOTOPK-VXGBXAGGSA-N 2 1 303.381 2.911 20 0 DFADMP CSc1cccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000341189116 271789779 /nfs/dbraw/zinc/78/97/79/271789779.db2.gz OYLPOMLILDXBFS-UHFFFAOYSA-N 2 1 321.490 2.621 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@]3(C)CCCO3)CC2)nc(C)[nH+]1 ZINC000332099163 427511640 /nfs/dbraw/zinc/51/16/40/427511640.db2.gz CPBIBRCNCHZHPT-KDOFPFPSSA-N 2 1 318.465 2.609 20 0 DFADMP CSc1ccc([C@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000338836233 427512366 /nfs/dbraw/zinc/51/23/66/427512366.db2.gz JPEGTUJIVVNRIG-INIZCTEOSA-N 2 1 316.474 3.530 20 0 DFADMP C[C@H](O)[C@@](C)(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298109863 427521807 /nfs/dbraw/zinc/52/18/07/427521807.db2.gz OFNZTJKWOVUGNG-OXJNMPFZSA-N 2 1 316.489 2.833 20 0 DFADMP O[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)cc(Cl)c1 ZINC000298203394 427534261 /nfs/dbraw/zinc/53/42/61/427534261.db2.gz YFGBVPFDSHPGRT-MRXNPFEDSA-N 2 1 312.816 2.729 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(-n2cccn2)cc1 ZINC000279040221 427540230 /nfs/dbraw/zinc/54/02/30/427540230.db2.gz XCICZOHOHSYTSU-HOTGVXAUSA-N 2 1 321.428 2.982 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)C2 ZINC000192441816 427540593 /nfs/dbraw/zinc/54/05/93/427540593.db2.gz AFPRCMNHVWFGNS-PBHICJAKSA-N 2 1 313.445 2.983 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271458281 427548205 /nfs/dbraw/zinc/54/82/05/427548205.db2.gz YIWRVEGEHRQQGK-IRXDYDNUSA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271458281 427548211 /nfs/dbraw/zinc/54/82/11/427548211.db2.gz YIWRVEGEHRQQGK-IRXDYDNUSA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271458281 427548220 /nfs/dbraw/zinc/54/82/20/427548220.db2.gz YIWRVEGEHRQQGK-IRXDYDNUSA-N 2 1 312.461 2.985 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H]1c1nncn1C ZINC000192141699 427490192 /nfs/dbraw/zinc/49/01/92/427490192.db2.gz VOTLKDTXLGRYSW-KRWDZBQOSA-N 2 1 322.416 2.646 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@H]1c1nncn1C ZINC000192141699 427490200 /nfs/dbraw/zinc/49/02/00/427490200.db2.gz VOTLKDTXLGRYSW-KRWDZBQOSA-N 2 1 322.416 2.646 20 0 DFADMP CCc1ccc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)nc1 ZINC000339009834 427621992 /nfs/dbraw/zinc/62/19/92/427621992.db2.gz KQLCAKCBLVGFSJ-SFHVURJKSA-N 2 1 305.466 2.577 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCCN(c3[nH+]cnc4[nH]ccc43)C2)CC1 ZINC000263748247 427557422 /nfs/dbraw/zinc/55/74/22/427557422.db2.gz GEDFDWPDCUYTMP-HNNXBMFYSA-N 2 1 313.449 2.906 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000271503845 427563887 /nfs/dbraw/zinc/56/38/87/427563887.db2.gz MMDJCSSPYWIWMF-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000271503845 427563893 /nfs/dbraw/zinc/56/38/93/427563893.db2.gz MMDJCSSPYWIWMF-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP CCOC(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OCC ZINC000184964561 427569131 /nfs/dbraw/zinc/56/91/31/427569131.db2.gz CVWJCDDLAZADDL-QGZVFWFLSA-N 2 1 312.498 2.974 20 0 DFADMP CCOC(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OCC ZINC000184964561 427569134 /nfs/dbraw/zinc/56/91/34/427569134.db2.gz CVWJCDDLAZADDL-QGZVFWFLSA-N 2 1 312.498 2.974 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000298320999 427570523 /nfs/dbraw/zinc/57/05/23/427570523.db2.gz IIHALJGBGFLBAZ-SJLPKXTDSA-N 2 1 324.415 2.993 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000287300494 427571827 /nfs/dbraw/zinc/57/18/27/427571827.db2.gz DNWFWXCXLPZEOE-RYUDHWBXSA-N 2 1 319.430 2.644 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304412 427572637 /nfs/dbraw/zinc/57/26/37/427572637.db2.gz COCXUEAIDGUFHJ-BMGDILEWSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304412 427572642 /nfs/dbraw/zinc/57/26/42/427572642.db2.gz COCXUEAIDGUFHJ-BMGDILEWSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304412 427572647 /nfs/dbraw/zinc/57/26/47/427572647.db2.gz COCXUEAIDGUFHJ-BMGDILEWSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304412 427572655 /nfs/dbraw/zinc/57/26/55/427572655.db2.gz COCXUEAIDGUFHJ-BMGDILEWSA-N 2 1 311.433 2.545 20 0 DFADMP CCc1oc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1C(=O)OC ZINC000338941418 427572986 /nfs/dbraw/zinc/57/29/86/427572986.db2.gz HEHNCFUOZKERRI-AGUYFDCRSA-N 2 1 320.433 2.734 20 0 DFADMP CCc1oc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1C(=O)OC ZINC000338941418 427572993 /nfs/dbraw/zinc/57/29/93/427572993.db2.gz HEHNCFUOZKERRI-AGUYFDCRSA-N 2 1 320.433 2.734 20 0 DFADMP CCCCOCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000338940912 427573909 /nfs/dbraw/zinc/57/39/09/427573909.db2.gz ZMIDIDWKMGAXLQ-CALCHBBNSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008967 427623163 /nfs/dbraw/zinc/62/31/63/427623163.db2.gz DOGLRPMVCKUDJR-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008967 427623171 /nfs/dbraw/zinc/62/31/71/427623171.db2.gz DOGLRPMVCKUDJR-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP COC(=O)c1cccc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c1Cl ZINC000294214194 427588172 /nfs/dbraw/zinc/58/81/72/427588172.db2.gz MXSQKWXAHHBXOZ-KRWDZBQOSA-N 2 1 322.836 2.654 20 0 DFADMP CCN(CC)c1ccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000192706371 427593533 /nfs/dbraw/zinc/59/35/33/427593533.db2.gz GCZNLKSACQPZED-ALOPSCKCSA-N 2 1 302.466 2.643 20 0 DFADMP CCN(CC)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000192706371 427593542 /nfs/dbraw/zinc/59/35/42/427593542.db2.gz GCZNLKSACQPZED-ALOPSCKCSA-N 2 1 302.466 2.643 20 0 DFADMP COc1ccc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000192738782 427597578 /nfs/dbraw/zinc/59/75/78/427597578.db2.gz OIQKCWYVALHQJU-ALOPSCKCSA-N 2 1 318.461 2.851 20 0 DFADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2sccc2C1 ZINC000192751737 427601414 /nfs/dbraw/zinc/60/14/14/427601414.db2.gz MSZXAIGWVVVECV-LNRIEFBSSA-N 2 1 319.518 2.710 20 0 DFADMP C[N@H+](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000298419865 427605015 /nfs/dbraw/zinc/60/50/15/427605015.db2.gz MLQWTNCNSLEGEO-UHFFFAOYSA-N 3 1 302.466 2.514 20 0 DFADMP C[N@@H+](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000298419865 427605023 /nfs/dbraw/zinc/60/50/23/427605023.db2.gz MLQWTNCNSLEGEO-UHFFFAOYSA-N 3 1 302.466 2.514 20 0 DFADMP CN(C)c1ncccc1O[C@H]1CC[N@@H+](C[C@@H]2CCC(C)(C)O2)C1 ZINC000298497311 427629448 /nfs/dbraw/zinc/62/94/48/427629448.db2.gz JWUDKZJRTRKVTI-GJZGRUSLSA-N 2 1 319.449 2.558 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287552420 427634701 /nfs/dbraw/zinc/63/47/01/427634701.db2.gz AQYLWWUHHPEZAK-WBVHZDCISA-N 2 1 310.869 2.517 20 0 DFADMP CN(C)c1cc[nH+]cc1CNC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935532 427638385 /nfs/dbraw/zinc/63/83/85/427638385.db2.gz MAKLZMNCGDXANJ-GOSISDBHSA-N 2 1 324.472 2.759 20 0 DFADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC000192979966 427646034 /nfs/dbraw/zinc/64/60/34/427646034.db2.gz QDHZDBTULFKHDH-FFHGMXDLSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)NC(=O)OC(C)(C)C ZINC000192979952 427646682 /nfs/dbraw/zinc/64/66/82/427646682.db2.gz QDHZDBTULFKHDH-AVOUXACISA-N 2 1 311.470 2.505 20 0 DFADMP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](CC)CC ZINC000342565840 272025410 /nfs/dbraw/zinc/02/54/10/272025410.db2.gz HTEIRRNAERXMOU-IXDOHACOSA-N 2 1 309.498 2.581 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298646600 427668248 /nfs/dbraw/zinc/66/82/48/427668248.db2.gz XCRVYIBAKZOJJI-QZTJIDSGSA-N 2 1 317.477 2.793 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298646600 427668255 /nfs/dbraw/zinc/66/82/55/427668255.db2.gz XCRVYIBAKZOJJI-QZTJIDSGSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298646600 427668260 /nfs/dbraw/zinc/66/82/60/427668260.db2.gz XCRVYIBAKZOJJI-QZTJIDSGSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298646600 427668268 /nfs/dbraw/zinc/66/82/68/427668268.db2.gz XCRVYIBAKZOJJI-QZTJIDSGSA-N 2 1 317.477 2.793 20 0 DFADMP CCCCN(C)C(=O)C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000342859453 272062865 /nfs/dbraw/zinc/06/28/65/272062865.db2.gz QQJBGBFJZKRECG-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCn2ccnc2C)C1 ZINC000342862765 272063583 /nfs/dbraw/zinc/06/35/83/272063583.db2.gz CSMSJKIYMNWRMT-NVXWUHKLSA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000342862765 272063585 /nfs/dbraw/zinc/06/35/85/272063585.db2.gz CSMSJKIYMNWRMT-NVXWUHKLSA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000342862765 272063586 /nfs/dbraw/zinc/06/35/86/272063586.db2.gz CSMSJKIYMNWRMT-NVXWUHKLSA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCn2ccnc2C)C1 ZINC000342862764 272063743 /nfs/dbraw/zinc/06/37/43/272063743.db2.gz CSMSJKIYMNWRMT-DOTOQJQBSA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000342862764 272063744 /nfs/dbraw/zinc/06/37/44/272063744.db2.gz CSMSJKIYMNWRMT-DOTOQJQBSA-N 2 1 320.481 2.598 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000342862764 272063746 /nfs/dbraw/zinc/06/37/46/272063746.db2.gz CSMSJKIYMNWRMT-DOTOQJQBSA-N 2 1 320.481 2.598 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000342902704 272065597 /nfs/dbraw/zinc/06/55/97/272065597.db2.gz PFDIXGWKALXHFR-WMLDXEAASA-N 2 1 305.491 2.597 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000342954522 272071142 /nfs/dbraw/zinc/07/11/42/272071142.db2.gz YJDBJFIFWJZALA-QXAKKESOSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)C1 ZINC000342954522 272071145 /nfs/dbraw/zinc/07/11/45/272071145.db2.gz YJDBJFIFWJZALA-QXAKKESOSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000343026443 272076192 /nfs/dbraw/zinc/07/61/92/272076192.db2.gz GUGVIDPODGCZFS-ZYSHUDEJSA-N 2 1 319.493 2.618 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](C)C[C@@H]1C)c1cccc(OC)c1 ZINC000343026443 272076194 /nfs/dbraw/zinc/07/61/94/272076194.db2.gz GUGVIDPODGCZFS-ZYSHUDEJSA-N 2 1 319.493 2.618 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000343207942 272096383 /nfs/dbraw/zinc/09/63/83/272096383.db2.gz BLKYQEUKLADXNK-VVLHAWIVSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Cc1cccs1 ZINC000343245970 272103490 /nfs/dbraw/zinc/10/34/90/272103490.db2.gz CFYISDKRGMFORO-QMCVQRASSA-N 2 1 308.491 2.673 20 0 DFADMP CC[N@@H+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)[C@H](C)C1 ZINC000343257135 272105739 /nfs/dbraw/zinc/10/57/39/272105739.db2.gz XJXKJCUGNKFRSC-GFCCVEGCSA-N 2 1 303.381 2.913 20 0 DFADMP CC[N@H+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)[C@H](C)C1 ZINC000343257135 272105741 /nfs/dbraw/zinc/10/57/41/272105741.db2.gz XJXKJCUGNKFRSC-GFCCVEGCSA-N 2 1 303.381 2.913 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000343320276 272117426 /nfs/dbraw/zinc/11/74/26/272117426.db2.gz LILZYMAMHASJFQ-MOPGFXCFSA-N 2 1 311.429 2.898 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000343320276 272117429 /nfs/dbraw/zinc/11/74/29/272117429.db2.gz LILZYMAMHASJFQ-MOPGFXCFSA-N 2 1 311.429 2.898 20 0 DFADMP Cc1cc(N(C)C[C@H]2OCC[N@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000343321958 272118346 /nfs/dbraw/zinc/11/83/46/272118346.db2.gz PBQLLAHEYCIXMA-MOPGFXCFSA-N 2 1 311.429 2.898 20 0 DFADMP Cc1cc(N(C)C[C@H]2OCC[N@@H+](C)[C@H]2c2ccccc2)cc[nH+]1 ZINC000343321958 272118347 /nfs/dbraw/zinc/11/83/47/272118347.db2.gz PBQLLAHEYCIXMA-MOPGFXCFSA-N 2 1 311.429 2.898 20 0 DFADMP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]c(C)c2)[C@H]1c1ccccc1 ZINC000343324960 272118536 /nfs/dbraw/zinc/11/85/36/272118536.db2.gz ZCPNIRJPXKDEJD-RTBURBONSA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@H+]1CCO[C@H](CNc2cc[nH+]c(C)c2)[C@H]1c1ccccc1 ZINC000343324960 272118538 /nfs/dbraw/zinc/11/85/38/272118538.db2.gz ZCPNIRJPXKDEJD-RTBURBONSA-N 2 1 311.429 2.686 20 0 DFADMP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000343335245 272121106 /nfs/dbraw/zinc/12/11/06/272121106.db2.gz HWUKPECPGOSWPY-XWSJACJDSA-N 2 1 300.446 2.981 20 0 DFADMP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000343494089 272158963 /nfs/dbraw/zinc/15/89/63/272158963.db2.gz IURFFSUAJZHCKI-UWVAXJGDSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]1C[N@H+](C)C[C@@H]1NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000343494089 272158966 /nfs/dbraw/zinc/15/89/66/272158966.db2.gz IURFFSUAJZHCKI-UWVAXJGDSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@@H]1NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000343494089 272158968 /nfs/dbraw/zinc/15/89/68/272158968.db2.gz IURFFSUAJZHCKI-UWVAXJGDSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]1C[NH+](C)C[C@@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000343494089 272158971 /nfs/dbraw/zinc/15/89/71/272158971.db2.gz IURFFSUAJZHCKI-UWVAXJGDSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]1C[NH+](C)C[C@@H]1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000343494089 272158974 /nfs/dbraw/zinc/15/89/74/272158974.db2.gz IURFFSUAJZHCKI-UWVAXJGDSA-N 2 1 315.505 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[N@H+](CC)C[C@H]2C)c1 ZINC000343557946 272169778 /nfs/dbraw/zinc/16/97/78/272169778.db2.gz GOESZZDYEPTGDX-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[N@@H+](CC)C[C@H]2C)c1 ZINC000343557946 272169780 /nfs/dbraw/zinc/16/97/80/272169780.db2.gz GOESZZDYEPTGDX-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1OC ZINC000343632357 272188849 /nfs/dbraw/zinc/18/88/49/272188849.db2.gz RUZZJMNPRUQIHT-HOTGVXAUSA-N 2 1 304.434 2.729 20 0 DFADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000343632357 272188851 /nfs/dbraw/zinc/18/88/51/272188851.db2.gz RUZZJMNPRUQIHT-HOTGVXAUSA-N 2 1 304.434 2.729 20 0 DFADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000343632359 272188964 /nfs/dbraw/zinc/18/89/64/272188964.db2.gz RUZZJMNPRUQIHT-JKSUJKDBSA-N 2 1 304.434 2.729 20 0 DFADMP COc1cc(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000343632359 272188967 /nfs/dbraw/zinc/18/89/67/272188967.db2.gz RUZZJMNPRUQIHT-JKSUJKDBSA-N 2 1 304.434 2.729 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000343641138 272191305 /nfs/dbraw/zinc/19/13/05/272191305.db2.gz NXUQHLQVBQUJLU-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000343641138 272191306 /nfs/dbraw/zinc/19/13/06/272191306.db2.gz NXUQHLQVBQUJLU-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000343641138 272191309 /nfs/dbraw/zinc/19/13/09/272191309.db2.gz NXUQHLQVBQUJLU-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)n2c1 ZINC000343642144 272191662 /nfs/dbraw/zinc/19/16/62/272191662.db2.gz YNFHSFUIWQQKGQ-ZIAGYGMSSA-N 2 1 304.825 2.704 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)n2c1 ZINC000343642144 272191665 /nfs/dbraw/zinc/19/16/65/272191665.db2.gz YNFHSFUIWQQKGQ-ZIAGYGMSSA-N 2 1 304.825 2.704 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000343749875 272211095 /nfs/dbraw/zinc/21/10/95/272211095.db2.gz CLHIKGISAWNLAO-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000343749875 272211096 /nfs/dbraw/zinc/21/10/96/272211096.db2.gz CLHIKGISAWNLAO-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000343749875 272211099 /nfs/dbraw/zinc/21/10/99/272211099.db2.gz CLHIKGISAWNLAO-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000343803769 272222983 /nfs/dbraw/zinc/22/29/83/272222983.db2.gz NGOMOQSOIVSSDD-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343983221 272247517 /nfs/dbraw/zinc/24/75/17/272247517.db2.gz ZFBFYVWGPQADBX-HKUYNNGSSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343983221 272247518 /nfs/dbraw/zinc/24/75/18/272247518.db2.gz ZFBFYVWGPQADBX-HKUYNNGSSA-N 2 1 310.445 2.897 20 0 DFADMP C[C@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344026921 272251771 /nfs/dbraw/zinc/25/17/71/272251771.db2.gz KCWOBBQADZYKOO-CQSZACIVSA-N 2 1 313.436 2.841 20 0 DFADMP CSc1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1 ZINC000344047005 272252321 /nfs/dbraw/zinc/25/23/21/272252321.db2.gz YCTDRNBKMGCBHS-UHFFFAOYSA-N 2 1 309.523 2.724 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(Cl)c1 ZINC000344061902 272254370 /nfs/dbraw/zinc/25/43/70/272254370.db2.gz KLGWKBBFLAFNMM-LBPRGKRZSA-N 2 1 305.809 2.897 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000344161129 272276947 /nfs/dbraw/zinc/27/69/47/272276947.db2.gz GDVHDCZYXYZJMK-IBGZPJMESA-N 2 1 319.468 2.820 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C12CCC2 ZINC000344168787 272278415 /nfs/dbraw/zinc/27/84/15/272278415.db2.gz LMKYHENKUWWGBQ-IAGOWNOFSA-N 2 1 322.493 2.569 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171401 272279330 /nfs/dbraw/zinc/27/93/30/272279330.db2.gz RVTYITIDCQMCGX-MOPGFXCFSA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171401 272279332 /nfs/dbraw/zinc/27/93/32/272279332.db2.gz RVTYITIDCQMCGX-MOPGFXCFSA-N 2 1 320.452 2.537 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000344171401 272279334 /nfs/dbraw/zinc/27/93/34/272279334.db2.gz RVTYITIDCQMCGX-MOPGFXCFSA-N 2 1 320.452 2.537 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000344222006 272290351 /nfs/dbraw/zinc/29/03/51/272290351.db2.gz RDDPHSHYUSSFPC-GTVARFKMSA-N 2 1 302.462 2.772 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000344248410 272297138 /nfs/dbraw/zinc/29/71/38/272297138.db2.gz LDFCBJQUYJOXDY-MUQADHOPSA-N 2 1 318.465 2.510 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)CCCCC1 ZINC000344680688 272356326 /nfs/dbraw/zinc/35/63/26/272356326.db2.gz YNUCYODYBYVILH-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295099580 427690632 /nfs/dbraw/zinc/69/06/32/427690632.db2.gz UQIRFOCEESNGHD-QBUWPKIASA-N 2 1 320.452 2.988 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779726 427690588 /nfs/dbraw/zinc/69/05/88/427690588.db2.gz NIQXZEUZFQEABD-IRXDYDNUSA-N 2 1 310.869 2.660 20 0 DFADMP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000193461489 427693544 /nfs/dbraw/zinc/69/35/44/427693544.db2.gz JYISOQRGFZDCEG-KRWDZBQOSA-N 2 1 315.461 2.823 20 0 DFADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716269 427694684 /nfs/dbraw/zinc/69/46/84/427694684.db2.gz HMFHDOJPXZBETO-NBPAUJCUSA-N 2 1 314.473 2.887 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272278113 427696788 /nfs/dbraw/zinc/69/67/88/427696788.db2.gz CMJONURMUSGRDS-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272278113 427696793 /nfs/dbraw/zinc/69/67/93/427696793.db2.gz CMJONURMUSGRDS-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C)[C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272278113 427696798 /nfs/dbraw/zinc/69/67/98/427696798.db2.gz CMJONURMUSGRDS-PIKOESSRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272278114 427696840 /nfs/dbraw/zinc/69/68/40/427696840.db2.gz CMJONURMUSGRDS-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272278114 427696843 /nfs/dbraw/zinc/69/68/43/427696843.db2.gz CMJONURMUSGRDS-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272278114 427696849 /nfs/dbraw/zinc/69/68/49/427696849.db2.gz CMJONURMUSGRDS-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279568215 427702693 /nfs/dbraw/zinc/70/26/93/427702693.db2.gz SNAJYFVZEGUQKB-MRXNPFEDSA-N 2 1 314.832 2.975 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c(Cl)nc2ccccn21 ZINC000298781118 427703489 /nfs/dbraw/zinc/70/34/89/427703489.db2.gz MTOFDYTYGGTVBJ-UHFFFAOYSA-N 2 1 303.797 2.673 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](CCOc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000193654213 427706997 /nfs/dbraw/zinc/70/69/97/427706997.db2.gz OBGYFYONOLVWDX-BETUJISGSA-N 2 1 314.351 2.578 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](CCOc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000193654213 427707002 /nfs/dbraw/zinc/70/70/02/427707002.db2.gz OBGYFYONOLVWDX-BETUJISGSA-N 2 1 314.351 2.578 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000193654213 427707005 /nfs/dbraw/zinc/70/70/05/427707005.db2.gz OBGYFYONOLVWDX-BETUJISGSA-N 2 1 314.351 2.578 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000193654213 427707008 /nfs/dbraw/zinc/70/70/08/427707008.db2.gz OBGYFYONOLVWDX-BETUJISGSA-N 2 1 314.351 2.578 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C(F)F)c1 ZINC000279829501 427718979 /nfs/dbraw/zinc/71/89/79/427718979.db2.gz YXSFPDRMOGSPJR-UHFFFAOYSA-N 2 1 311.420 2.694 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000336839993 427754795 /nfs/dbraw/zinc/75/47/95/427754795.db2.gz VGHQVHHKNGWUKK-OAHLLOKOSA-N 2 1 305.447 2.934 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)C[C@H]1CCCO1 ZINC000336839993 427754796 /nfs/dbraw/zinc/75/47/96/427754796.db2.gz VGHQVHHKNGWUKK-OAHLLOKOSA-N 2 1 305.447 2.934 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000339339235 427756513 /nfs/dbraw/zinc/75/65/13/427756513.db2.gz DZLWNOULQWAEIB-RDJZCZTQSA-N 2 1 308.466 2.740 20 0 DFADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000339358385 427759309 /nfs/dbraw/zinc/75/93/09/427759309.db2.gz GVOZLESGDXMZCO-INIZCTEOSA-N 2 1 323.525 2.687 20 0 DFADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@H]1CCCC(C)(C)C1 ZINC000339358385 427759311 /nfs/dbraw/zinc/75/93/11/427759311.db2.gz GVOZLESGDXMZCO-INIZCTEOSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1cc(-c2noc(CCC[NH+]3CCC([NH3+])CC3)n2)ccc1F ZINC000339359201 427759545 /nfs/dbraw/zinc/75/95/45/427759545.db2.gz QURJTTVUTRJAIB-UHFFFAOYSA-N 2 1 318.396 2.540 20 0 DFADMP Cc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nc1 ZINC000336855463 427760826 /nfs/dbraw/zinc/76/08/26/427760826.db2.gz IDBDOHAOXCRAHC-UHFFFAOYSA-N 2 1 302.466 2.873 20 0 DFADMP CCn1ccnc1C[N@@H+](CCC(C)C)[C@H]1CC12CC[NH2+]CC2 ZINC000339409008 427770027 /nfs/dbraw/zinc/77/00/27/427770027.db2.gz WABBDVULQWMKHO-INIZCTEOSA-N 2 1 304.482 2.893 20 0 DFADMP Cc1[nH+]ccn1CC[NH+]1CCC(c2c[nH]c3ncccc23)CC1 ZINC000336874273 427770070 /nfs/dbraw/zinc/77/00/70/427770070.db2.gz WAMVRZUZSXWWPR-UHFFFAOYSA-N 2 1 309.417 2.947 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000300415543 427772193 /nfs/dbraw/zinc/77/21/93/427772193.db2.gz VZAOZYOSWOBTEA-COXVUDFISA-N 2 1 308.853 2.724 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000300415543 427772194 /nfs/dbraw/zinc/77/21/94/427772194.db2.gz VZAOZYOSWOBTEA-COXVUDFISA-N 2 1 308.853 2.724 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000339199815 427727295 /nfs/dbraw/zinc/72/72/95/427727295.db2.gz BSDPZCVFSOKNAN-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP CN(CC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336704741 427748699 /nfs/dbraw/zinc/74/86/99/427748699.db2.gz GVLCLJCBBJUPLP-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336704741 427748703 /nfs/dbraw/zinc/74/87/03/427748703.db2.gz GVLCLJCBBJUPLP-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP CN(CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336704741 427748704 /nfs/dbraw/zinc/74/87/04/427748704.db2.gz GVLCLJCBBJUPLP-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000336723946 427750258 /nfs/dbraw/zinc/75/02/58/427750258.db2.gz WVMZMTGZHNFQNN-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000336723946 427750260 /nfs/dbraw/zinc/75/02/60/427750260.db2.gz WVMZMTGZHNFQNN-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCOC1 ZINC000336723946 427750262 /nfs/dbraw/zinc/75/02/62/427750262.db2.gz WVMZMTGZHNFQNN-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@H](C[NH2+]Cc1ccc(Br)c(F)c1)C[NH+](C)C ZINC000336722051 427750588 /nfs/dbraw/zinc/75/05/88/427750588.db2.gz SRHMDMCMQIQLRC-SNVBAGLBSA-N 2 1 303.219 2.876 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)[C@@H]3CCC[C@H]32)CC1 ZINC000339714149 427816405 /nfs/dbraw/zinc/81/64/05/427816405.db2.gz AYBRYUPFWRXOCX-QZTJIDSGSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3[C@@H]2C)CC1 ZINC000337249702 427823704 /nfs/dbraw/zinc/82/37/04/427823704.db2.gz LZUDMKCPDMPWLD-KRWDZBQOSA-N 2 1 301.478 2.979 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)c1cc(NCC2CC2)ncn1 ZINC000301840285 427828534 /nfs/dbraw/zinc/82/85/34/427828534.db2.gz XZVXHCVDHNKHMY-OAHLLOKOSA-N 2 1 303.454 2.609 20 0 DFADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccco1 ZINC000337322426 427842989 /nfs/dbraw/zinc/84/29/89/427842989.db2.gz DAYWBAVEZPFGKK-UHFFFAOYSA-N 2 1 307.482 2.906 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686048 427847831 /nfs/dbraw/zinc/84/78/31/427847831.db2.gz YSMQEZNTXVTMAI-WOJBJXKFSA-N 2 1 313.489 2.821 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCC2(C[NH+](C)C)CCCC2)n1 ZINC000302141296 427848459 /nfs/dbraw/zinc/84/84/59/427848459.db2.gz FCZYQFRMSGZMED-UHFFFAOYSA-N 2 1 314.437 2.505 20 0 DFADMP CC(C)[NH+](CCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)C(C)C ZINC000345664817 427850488 /nfs/dbraw/zinc/85/04/88/427850488.db2.gz OHRAAVSHROXINN-QGZVFWFLSA-N 2 1 319.493 2.742 20 0 DFADMP Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc1 ZINC000304291396 427925707 /nfs/dbraw/zinc/92/57/07/427925707.db2.gz CNIDQMZZDSDPIK-MJGOQNOKSA-N 2 1 302.462 2.836 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000303219896 427900066 /nfs/dbraw/zinc/90/00/66/427900066.db2.gz HTCGGQYSLJWZMZ-OALUTQOASA-N 2 1 302.462 2.820 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNc1cc(NCC2CC2)ncn1 ZINC000340013665 427900999 /nfs/dbraw/zinc/90/09/99/427900999.db2.gz AZVYQGCDLBFEFJ-OAHLLOKOSA-N 2 1 317.481 3.365 20 0 DFADMP CCCC[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000337485324 427926424 /nfs/dbraw/zinc/92/64/24/427926424.db2.gz YUCLZOCBAVEVEM-IAGOWNOFSA-N 2 1 311.514 2.687 20 0 DFADMP CC[NH+](CC)CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000337482370 427926579 /nfs/dbraw/zinc/92/65/79/427926579.db2.gz XLJHKCPLUBYEHQ-UHFFFAOYSA-N 2 1 303.450 2.604 20 0 DFADMP Cc1ccc2c(c1)CC[N@H+](CCCN1CC[NH+](C(C)C)CC1)C2 ZINC000337453134 427912611 /nfs/dbraw/zinc/91/26/11/427912611.db2.gz GIFBGEYIZSLRGA-UHFFFAOYSA-N 2 1 315.505 2.769 20 0 DFADMP CC[C@H](C(=O)N(CC)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000355950586 427960505 /nfs/dbraw/zinc/96/05/05/427960505.db2.gz DQABWDQFLZKDRL-GOSISDBHSA-N 2 1 319.493 2.697 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000340228245 427960619 /nfs/dbraw/zinc/96/06/19/427960619.db2.gz JTZORCRZLCOAMO-IRXDYDNUSA-N 2 1 321.509 2.666 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCCC23CCCC3)C1 ZINC000340228242 427961437 /nfs/dbraw/zinc/96/14/37/427961437.db2.gz JTZORCRZLCOAMO-DLBZAZTESA-N 2 1 321.509 2.666 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000355954388 427962019 /nfs/dbraw/zinc/96/20/19/427962019.db2.gz MDSLRWWKFCGEJB-OAHLLOKOSA-N 2 1 311.514 2.876 20 0 DFADMP C[NH+](C)CC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000340277717 427973894 /nfs/dbraw/zinc/97/38/94/427973894.db2.gz CQXPCBQGNVZWLO-IBGZPJMESA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](C)CC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000340277717 427973895 /nfs/dbraw/zinc/97/38/95/427973895.db2.gz CQXPCBQGNVZWLO-IBGZPJMESA-N 2 1 301.478 2.535 20 0 DFADMP CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000376937636 428027844 /nfs/dbraw/zinc/02/78/44/428027844.db2.gz PLWXJQOZEJYQPA-SMDDNHRTSA-N 2 1 323.437 2.694 20 0 DFADMP C[N@H+](Cc1cc(-n2ccnc2)cs1)CC1CC[NH+](C)CC1 ZINC000346142259 428033667 /nfs/dbraw/zinc/03/36/67/428033667.db2.gz OZGABEYFRXSMOO-UHFFFAOYSA-N 2 1 304.463 2.707 20 0 DFADMP C[N@H+](Cc1cc(-n2ccnc2)cs1)C[C@H]1CCC[NH+](C)C1 ZINC000346142277 428034076 /nfs/dbraw/zinc/03/40/76/428034076.db2.gz PAUNZHBQIQHISR-AWEZNQCLSA-N 3 1 304.463 2.707 20 0 DFADMP C[NH+](Cc1cc(-n2ccnc2)cs1)C[C@H]1CCC[N@H+](C)C1 ZINC000346142277 428034082 /nfs/dbraw/zinc/03/40/82/428034082.db2.gz PAUNZHBQIQHISR-AWEZNQCLSA-N 3 1 304.463 2.707 20 0 DFADMP C[NH+](Cc1cc(-n2ccnc2)cs1)C[C@H]1CCC[N@@H+](C)C1 ZINC000346142277 428034090 /nfs/dbraw/zinc/03/40/90/428034090.db2.gz PAUNZHBQIQHISR-AWEZNQCLSA-N 3 1 304.463 2.707 20 0 DFADMP FC(F)COc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000369690739 428037233 /nfs/dbraw/zinc/03/72/33/428037233.db2.gz XFZRODLHYZBLLI-CYBMUJFWSA-N 2 1 307.344 2.632 20 0 DFADMP COC1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000346149322 428039243 /nfs/dbraw/zinc/03/92/43/428039243.db2.gz WTEUYCWYHSPONP-UHFFFAOYSA-N 2 1 309.479 2.520 20 0 DFADMP COC1CCN(Cc2nc3c(s2)CN(C(C)C)CC3)CC1 ZINC000346149322 428039256 /nfs/dbraw/zinc/03/92/56/428039256.db2.gz WTEUYCWYHSPONP-UHFFFAOYSA-N 2 1 309.479 2.520 20 0 DFADMP CCc1cnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000346162498 428045265 /nfs/dbraw/zinc/04/52/65/428045265.db2.gz HGTYJAQOAMJWRM-UHFFFAOYSA-N 2 1 323.506 2.782 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729730 428045771 /nfs/dbraw/zinc/04/57/71/428045771.db2.gz APQJRWUVGPGUQV-ZACQAIPSSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729730 428045777 /nfs/dbraw/zinc/04/57/77/428045777.db2.gz APQJRWUVGPGUQV-ZACQAIPSSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729730 428045782 /nfs/dbraw/zinc/04/57/82/428045782.db2.gz APQJRWUVGPGUQV-ZACQAIPSSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729730 428045785 /nfs/dbraw/zinc/04/57/85/428045785.db2.gz APQJRWUVGPGUQV-ZACQAIPSSA-N 2 1 320.477 2.669 20 0 DFADMP FC(F)(F)c1ncc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000377057845 428048274 /nfs/dbraw/zinc/04/82/74/428048274.db2.gz SYIHXKSWAKAGFD-VHSXEESVSA-N 2 1 305.369 2.878 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000346166995 428048812 /nfs/dbraw/zinc/04/88/12/428048812.db2.gz JPVBIGAJFIBVHC-YJBOKZPZSA-N 2 1 312.417 2.577 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170990 428050650 /nfs/dbraw/zinc/05/06/50/428050650.db2.gz NOAMEHLEBHYNIK-RHSMWYFYSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170990 428050657 /nfs/dbraw/zinc/05/06/57/428050657.db2.gz NOAMEHLEBHYNIK-RHSMWYFYSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@H]21 ZINC000346170990 428050661 /nfs/dbraw/zinc/05/06/61/428050661.db2.gz NOAMEHLEBHYNIK-RHSMWYFYSA-N 2 1 316.474 2.850 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170989 428051493 /nfs/dbraw/zinc/05/14/93/428051493.db2.gz NOAMEHLEBHYNIK-PBHICJAKSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170989 428051496 /nfs/dbraw/zinc/05/14/96/428051496.db2.gz NOAMEHLEBHYNIK-PBHICJAKSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170989 428051500 /nfs/dbraw/zinc/05/15/00/428051500.db2.gz NOAMEHLEBHYNIK-PBHICJAKSA-N 2 1 316.474 2.850 20 0 DFADMP C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000359884530 428059601 /nfs/dbraw/zinc/05/96/01/428059601.db2.gz YMVVXGFJUPMEGB-IIAWOOMASA-N 2 1 314.433 2.740 20 0 DFADMP C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000359884530 428059607 /nfs/dbraw/zinc/05/96/07/428059607.db2.gz YMVVXGFJUPMEGB-IIAWOOMASA-N 2 1 314.433 2.740 20 0 DFADMP COC1(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCCC1 ZINC000359748082 428002611 /nfs/dbraw/zinc/00/26/11/428002611.db2.gz LHEWRLNUEIRRIL-UHFFFAOYSA-N 2 1 318.465 2.611 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000341180580 428003676 /nfs/dbraw/zinc/00/36/76/428003676.db2.gz YRHCHTOCIVWUNC-UHFFFAOYSA-N 2 1 300.406 2.510 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000359775988 428015568 /nfs/dbraw/zinc/01/55/68/428015568.db2.gz VBOGLYXWGBWENK-SJORKVTESA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000359775988 428015571 /nfs/dbraw/zinc/01/55/71/428015571.db2.gz VBOGLYXWGBWENK-SJORKVTESA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000359775988 428015574 /nfs/dbraw/zinc/01/55/74/428015574.db2.gz VBOGLYXWGBWENK-SJORKVTESA-N 2 1 319.493 2.744 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000369609831 428016090 /nfs/dbraw/zinc/01/60/90/428016090.db2.gz TWNROPALAZXSAY-HOTGVXAUSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000369609831 428016094 /nfs/dbraw/zinc/01/60/94/428016094.db2.gz TWNROPALAZXSAY-HOTGVXAUSA-N 2 1 304.482 2.910 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000369610277 428016443 /nfs/dbraw/zinc/01/64/43/428016443.db2.gz ZSBWTHWNKFZYDZ-HYVNUMGLSA-N 2 1 315.465 2.877 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H](C)[C@H]1C ZINC000346219930 428077629 /nfs/dbraw/zinc/07/76/29/428077629.db2.gz NLBDBAOYRYYDTB-KGLIPLIRSA-N 2 1 302.447 2.902 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346225707 428081372 /nfs/dbraw/zinc/08/13/72/428081372.db2.gz SIXCVTCNIBQVKC-CQSZACIVSA-N 2 1 304.463 2.707 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346225707 428081377 /nfs/dbraw/zinc/08/13/77/428081377.db2.gz SIXCVTCNIBQVKC-CQSZACIVSA-N 2 1 304.463 2.707 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346225707 428081382 /nfs/dbraw/zinc/08/13/82/428081382.db2.gz SIXCVTCNIBQVKC-CQSZACIVSA-N 2 1 304.463 2.707 20 0 DFADMP CC(C)[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+](C)C ZINC000341522949 428090586 /nfs/dbraw/zinc/09/05/86/428090586.db2.gz HHDCEWMLIIFXCG-SFHVURJKSA-N 2 1 317.477 2.848 20 0 DFADMP Cc1cc(Cl)cc(C)c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000351504935 428096479 /nfs/dbraw/zinc/09/64/79/428096479.db2.gz YIBJKFRYMMBVEL-UHFFFAOYSA-N 2 1 310.869 2.893 20 0 DFADMP CCC[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+](C)C ZINC000341538946 428096573 /nfs/dbraw/zinc/09/65/73/428096573.db2.gz YAMTZSYFIVNNHB-SFHVURJKSA-N 2 1 317.477 2.992 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000359996109 428106888 /nfs/dbraw/zinc/10/68/88/428106888.db2.gz VMMZMWVDKJNQCU-FUHWJXTLSA-N 2 1 316.493 2.892 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000359996109 428106893 /nfs/dbraw/zinc/10/68/93/428106893.db2.gz VMMZMWVDKJNQCU-FUHWJXTLSA-N 2 1 316.493 2.892 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000370008143 428109565 /nfs/dbraw/zinc/10/95/65/428109565.db2.gz HCSONFSJIAOXLG-FUHWJXTLSA-N 2 1 315.461 2.604 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000370017839 428111051 /nfs/dbraw/zinc/11/10/51/428111051.db2.gz KYNJIHCJTCYRAH-WBVHZDCISA-N 2 1 301.434 2.561 20 0 DFADMP CO[C@H](C)C[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000346195301 428064909 /nfs/dbraw/zinc/06/49/09/428064909.db2.gz HWVQGIOITKQMHD-CQSZACIVSA-N 2 1 302.422 2.821 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000346342479 428134783 /nfs/dbraw/zinc/13/47/83/428134783.db2.gz RVHMZAYSXDUZKI-HOTGVXAUSA-N 2 1 320.481 2.728 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)C[C@@H]1C ZINC000346342479 428134786 /nfs/dbraw/zinc/13/47/86/428134786.db2.gz RVHMZAYSXDUZKI-HOTGVXAUSA-N 2 1 320.481 2.728 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352534922 428137926 /nfs/dbraw/zinc/13/79/26/428137926.db2.gz KRHQLTDBCUGQFL-SFHVURJKSA-N 2 1 304.434 2.588 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352534922 428137935 /nfs/dbraw/zinc/13/79/35/428137935.db2.gz KRHQLTDBCUGQFL-SFHVURJKSA-N 2 1 304.434 2.588 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CC[C@H]4CCOC4)[C@H]3C2)cc1 ZINC000346360633 428140940 /nfs/dbraw/zinc/14/09/40/428140940.db2.gz JGLAFRRCRFZMPF-MUGJNUQGSA-N 2 1 314.473 2.913 20 0 DFADMP c1cnn(-c2ccc(C[NH2+]C3CC([NH+]4CCCCC4)C3)cc2)c1 ZINC000370131746 428141004 /nfs/dbraw/zinc/14/10/04/428141004.db2.gz LIQYNTDWJDDKES-UHFFFAOYSA-N 2 1 310.445 2.979 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000352544663 428144685 /nfs/dbraw/zinc/14/46/85/428144685.db2.gz CFPARNNRXZQMSP-ZDUSSCGKSA-N 2 1 302.447 2.908 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000352544663 428144689 /nfs/dbraw/zinc/14/46/89/428144689.db2.gz CFPARNNRXZQMSP-ZDUSSCGKSA-N 2 1 302.447 2.908 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000360040344 428130155 /nfs/dbraw/zinc/13/01/55/428130155.db2.gz UHYJHXGWALZUCE-NSISKUIASA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000360040344 428130160 /nfs/dbraw/zinc/13/01/60/428130160.db2.gz UHYJHXGWALZUCE-NSISKUIASA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000360040344 428130165 /nfs/dbraw/zinc/13/01/65/428130165.db2.gz UHYJHXGWALZUCE-NSISKUIASA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040344 428130169 /nfs/dbraw/zinc/13/01/69/428130169.db2.gz UHYJHXGWALZUCE-NSISKUIASA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040344 428130174 /nfs/dbraw/zinc/13/01/74/428130174.db2.gz UHYJHXGWALZUCE-NSISKUIASA-N 2 1 315.505 2.827 20 0 DFADMP COC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000370168135 428149459 /nfs/dbraw/zinc/14/94/59/428149459.db2.gz AFMAOPNRAWVHIC-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000370168135 428149466 /nfs/dbraw/zinc/14/94/66/428149466.db2.gz AFMAOPNRAWVHIC-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000370168135 428149471 /nfs/dbraw/zinc/14/94/71/428149471.db2.gz AFMAOPNRAWVHIC-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000370168135 428149476 /nfs/dbraw/zinc/14/94/76/428149476.db2.gz AFMAOPNRAWVHIC-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP C[N@H+](C[C@@H](O)c1cccc(Cl)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377646965 428182606 /nfs/dbraw/zinc/18/26/06/428182606.db2.gz SBSIYWFEAZKGNF-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1cccc(Cl)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377646965 428182608 /nfs/dbraw/zinc/18/26/08/428182608.db2.gz SBSIYWFEAZKGNF-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN[C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000370335088 428185323 /nfs/dbraw/zinc/18/53/23/428185323.db2.gz QPGUWVANHGHEML-ZFWWWQNUSA-N 2 1 305.397 2.673 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000346419692 428165300 /nfs/dbraw/zinc/16/53/00/428165300.db2.gz XURHGVFUTFRQTP-UHFFFAOYSA-N 2 1 318.330 2.617 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCOCC(F)(F)C(F)(F)F)CC1 ZINC000346419692 428165305 /nfs/dbraw/zinc/16/53/05/428165305.db2.gz XURHGVFUTFRQTP-UHFFFAOYSA-N 2 1 318.330 2.617 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413935504 428168572 /nfs/dbraw/zinc/16/85/72/428168572.db2.gz DFDVNFFBERQLST-MRXNPFEDSA-N 2 1 307.413 2.700 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413935504 428168576 /nfs/dbraw/zinc/16/85/76/428168576.db2.gz DFDVNFFBERQLST-MRXNPFEDSA-N 2 1 307.413 2.700 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C3Cc4ccccc4C3)C2)nc(C)[nH+]1 ZINC000377629682 428175100 /nfs/dbraw/zinc/17/51/00/428175100.db2.gz DCYNCFOMAPFMIJ-GOSISDBHSA-N 2 1 322.456 2.819 20 0 DFADMP C[N@@H+](CCSC(C)(C)C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000370286378 428177461 /nfs/dbraw/zinc/17/74/61/428177461.db2.gz VEJJZBBKPNJSBT-MRXNPFEDSA-N 2 1 313.555 2.618 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356434518 428177781 /nfs/dbraw/zinc/17/77/81/428177781.db2.gz NZRAYBSIMOOPSB-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP COCCOc1cccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000377633947 428178739 /nfs/dbraw/zinc/17/87/39/428178739.db2.gz WBBZQVGICUGAAZ-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP COCCOc1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000377633947 428178745 /nfs/dbraw/zinc/17/87/45/428178745.db2.gz WBBZQVGICUGAAZ-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP COCCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000377633947 428178750 /nfs/dbraw/zinc/17/87/50/428178750.db2.gz WBBZQVGICUGAAZ-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP COCCOc1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000377633947 428178755 /nfs/dbraw/zinc/17/87/55/428178755.db2.gz WBBZQVGICUGAAZ-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP Cc1cnn(CCCCC[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377640760 428179151 /nfs/dbraw/zinc/17/91/51/428179151.db2.gz ITURUJDCSRZJTA-QGZVFWFLSA-N 2 1 315.465 2.753 20 0 DFADMP Cc1cnn(CCCCC[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377640760 428179157 /nfs/dbraw/zinc/17/91/57/428179157.db2.gz ITURUJDCSRZJTA-QGZVFWFLSA-N 2 1 315.465 2.753 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1cccnc1 ZINC000370316266 428182379 /nfs/dbraw/zinc/18/23/79/428182379.db2.gz RYRHWVUGENLDCV-PXNSSMCTSA-N 2 1 324.472 2.721 20 0 DFADMP CN(Cc1ccc(F)nc1)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000370409413 428205496 /nfs/dbraw/zinc/20/54/96/428205496.db2.gz FERXBSMAILMVJA-WMZOPIPTSA-N 2 1 314.408 2.741 20 0 DFADMP CN1CC[C@@H](C[N@H+](C)Cc2ccc(F)nc2)[C@@H]1c1cccnc1 ZINC000370409413 428205505 /nfs/dbraw/zinc/20/55/05/428205505.db2.gz FERXBSMAILMVJA-WMZOPIPTSA-N 2 1 314.408 2.741 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)Cc2ccc(F)nc2)[C@@H]1c1cccnc1 ZINC000370409413 428205512 /nfs/dbraw/zinc/20/55/12/428205512.db2.gz FERXBSMAILMVJA-WMZOPIPTSA-N 2 1 314.408 2.741 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CC1(C)COC1 ZINC000346530066 428207602 /nfs/dbraw/zinc/20/76/02/428207602.db2.gz QOKMPHLTRYODOW-VQFNDLOPSA-N 2 1 302.462 2.769 20 0 DFADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000356516090 428213169 /nfs/dbraw/zinc/21/31/69/428213169.db2.gz BBAMSVPBSYRSLL-AZUAARDMSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000356516090 428213173 /nfs/dbraw/zinc/21/31/73/428213173.db2.gz BBAMSVPBSYRSLL-AZUAARDMSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000356516090 428213177 /nfs/dbraw/zinc/21/31/77/428213177.db2.gz BBAMSVPBSYRSLL-AZUAARDMSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000356516090 428213181 /nfs/dbraw/zinc/21/31/81/428213181.db2.gz BBAMSVPBSYRSLL-AZUAARDMSA-N 2 1 324.472 2.682 20 0 DFADMP Cn1ccc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000356524854 428217960 /nfs/dbraw/zinc/21/79/60/428217960.db2.gz NDIZOHCABLFWDF-UXHICEINSA-N 2 1 309.457 2.979 20 0 DFADMP Cn1ccc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000356524854 428217965 /nfs/dbraw/zinc/21/79/65/428217965.db2.gz NDIZOHCABLFWDF-UXHICEINSA-N 2 1 309.457 2.979 20 0 DFADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360241655 428220740 /nfs/dbraw/zinc/22/07/40/428220740.db2.gz KHRYOCXTBKQTFN-LSDHHAIUSA-N 2 1 308.491 2.906 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000370495680 428222148 /nfs/dbraw/zinc/22/21/48/428222148.db2.gz BQTFCUJODHVGQL-FGTMMUONSA-N 2 1 321.509 2.726 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000370495680 428222151 /nfs/dbraw/zinc/22/21/51/428222151.db2.gz BQTFCUJODHVGQL-FGTMMUONSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000414168615 428222184 /nfs/dbraw/zinc/22/21/84/428222184.db2.gz AODBIGINGVXNLG-HOTGVXAUSA-N 2 1 313.449 2.650 20 0 DFADMP CC(C)C[C@@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352733069 428224960 /nfs/dbraw/zinc/22/49/60/428224960.db2.gz QMSIJCPZXCHLAM-ZIAGYGMSSA-N 2 1 311.495 2.888 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)s1 ZINC000352740076 428227188 /nfs/dbraw/zinc/22/71/88/428227188.db2.gz SVNCNLKPKRMENZ-MRXNPFEDSA-N 2 1 311.495 2.626 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1nc2ccccc2n1C ZINC000414184818 428227223 /nfs/dbraw/zinc/22/72/23/428227223.db2.gz OJMRJWOCEYEBQC-GJZGRUSLSA-N 2 1 300.450 2.956 20 0 DFADMP COc1cc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c(F)cn1 ZINC000414181434 428227489 /nfs/dbraw/zinc/22/74/89/428227489.db2.gz MDGWTHXORKEWNE-LLVKDONJSA-N 2 1 300.337 2.728 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000414184676 428227727 /nfs/dbraw/zinc/22/77/27/428227727.db2.gz OCSCKBCIGRYGEN-CHWSQXEVSA-N 2 1 310.463 2.917 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccn(C)n1 ZINC000414196034 428231099 /nfs/dbraw/zinc/23/10/99/428231099.db2.gz VMUZCGAMXCXOAE-LSDHHAIUSA-N 2 1 316.449 2.772 20 0 DFADMP CCn1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)n1 ZINC000414204195 428233593 /nfs/dbraw/zinc/23/35/93/428233593.db2.gz FSDSOQFCZQIWKK-HNNXBMFYSA-N 2 1 316.449 2.694 20 0 DFADMP C[C@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1ncc(C[NH+](C)C)s1 ZINC000352766323 428237990 /nfs/dbraw/zinc/23/79/90/428237990.db2.gz WDDXBZXWDSBJCJ-RBSFLKMASA-N 2 1 324.538 2.661 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000377831706 428238755 /nfs/dbraw/zinc/23/87/55/428238755.db2.gz AQKCQMUTLVKDOJ-HOCLYGCPSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)s1 ZINC000377831706 428238758 /nfs/dbraw/zinc/23/87/58/428238758.db2.gz AQKCQMUTLVKDOJ-HOCLYGCPSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)s1 ZINC000377831706 428238761 /nfs/dbraw/zinc/23/87/61/428238761.db2.gz AQKCQMUTLVKDOJ-HOCLYGCPSA-N 2 1 322.522 2.905 20 0 DFADMP CCN(CC)c1ncc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)s1 ZINC000377831706 428238763 /nfs/dbraw/zinc/23/87/63/428238763.db2.gz AQKCQMUTLVKDOJ-HOCLYGCPSA-N 2 1 322.522 2.905 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2c[nH]c3cccc(C)c23)CC1 ZINC000360163990 428187939 /nfs/dbraw/zinc/18/79/39/428187939.db2.gz SQEPSJFUDDHRHB-UHFFFAOYSA-N 2 1 315.461 2.719 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000346481334 428188553 /nfs/dbraw/zinc/18/85/53/428188553.db2.gz GOFTUMCIJPOCHD-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP C[N@H+](CCN1CCCc2ccccc21)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377673764 428189812 /nfs/dbraw/zinc/18/98/12/428189812.db2.gz ISZOTIBQWDNFFP-QGZVFWFLSA-N 2 1 324.472 2.830 20 0 DFADMP C[N@@H+](CCN1CCCc2ccccc21)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377673764 428189815 /nfs/dbraw/zinc/18/98/15/428189815.db2.gz ISZOTIBQWDNFFP-QGZVFWFLSA-N 2 1 324.472 2.830 20 0 DFADMP Cc1cccc2ncc(C[NH2+]CC(C)(C)C[NH+]3CCCC3)n21 ZINC000360168632 428189894 /nfs/dbraw/zinc/18/98/94/428189894.db2.gz NRHZZJNMMOMAJG-UHFFFAOYSA-N 2 1 300.450 2.854 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000377678027 428192943 /nfs/dbraw/zinc/19/29/43/428192943.db2.gz SFLHNDFJQDTFDM-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000377678027 428192945 /nfs/dbraw/zinc/19/29/45/428192945.db2.gz SFLHNDFJQDTFDM-IEBWSBKVSA-N 2 1 312.461 2.901 20 0 DFADMP C[C@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000414066938 428196783 /nfs/dbraw/zinc/19/67/83/428196783.db2.gz PVMAYNLZMHXKCJ-LCLWPZTBSA-N 2 1 315.505 2.999 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000414072178 428199392 /nfs/dbraw/zinc/19/93/92/428199392.db2.gz USCXYUFYSYIETL-HRCADAONSA-N 2 1 305.466 2.874 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414072178 428199396 /nfs/dbraw/zinc/19/93/96/428199396.db2.gz USCXYUFYSYIETL-HRCADAONSA-N 2 1 305.466 2.874 20 0 DFADMP COc1cccc(C[N@@H+](C)C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000377696295 428200100 /nfs/dbraw/zinc/20/01/00/428200100.db2.gz HACOOXCMKULLSS-UHFFFAOYSA-N 2 1 312.417 2.586 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000370395912 428202479 /nfs/dbraw/zinc/20/24/79/428202479.db2.gz ROVGQPXNFBUAPX-CABCVRRESA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000370395912 428202486 /nfs/dbraw/zinc/20/24/86/428202486.db2.gz ROVGQPXNFBUAPX-CABCVRRESA-N 2 1 314.408 2.932 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1cn(-c2ccccc2)nn1 ZINC000370676315 428270093 /nfs/dbraw/zinc/27/00/93/428270093.db2.gz JHWSKIBNMPWRGO-AWEZNQCLSA-N 2 1 310.405 2.513 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346689739 428274338 /nfs/dbraw/zinc/27/43/38/428274338.db2.gz SOJZKRHCEXLHAY-DOMZBBRYSA-N 2 1 316.424 2.797 20 0 DFADMP COc1ccc(C[N@H+](C)CC(C)(C)C[NH3+])c(OC(F)F)c1 ZINC000346691764 428275417 /nfs/dbraw/zinc/27/54/17/428275417.db2.gz WEILQQAOKWWFCD-UHFFFAOYSA-N 2 1 302.365 2.713 20 0 DFADMP COc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(OC(F)F)c1 ZINC000346691764 428275418 /nfs/dbraw/zinc/27/54/18/428275418.db2.gz WEILQQAOKWWFCD-UHFFFAOYSA-N 2 1 302.365 2.713 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)cc1OCC(C)C ZINC000346693593 428276528 /nfs/dbraw/zinc/27/65/28/428276528.db2.gz OEMUNAWQAVXPOA-GDBMZVCRSA-N 2 1 306.450 2.899 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000370690349 428276736 /nfs/dbraw/zinc/27/67/36/428276736.db2.gz MKXIEZFWSOQHOL-ZBFHGGJFSA-N 2 1 302.447 2.828 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000370690349 428276742 /nfs/dbraw/zinc/27/67/42/428276742.db2.gz MKXIEZFWSOQHOL-ZBFHGGJFSA-N 2 1 302.447 2.828 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000346695077 428276895 /nfs/dbraw/zinc/27/68/95/428276895.db2.gz YDBLGJJMWMTTHG-YPMHNXCESA-N 2 1 304.825 2.899 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346692454 428277170 /nfs/dbraw/zinc/27/71/70/428277170.db2.gz ZAVQHQIIVZFSBX-RYUDHWBXSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346692453 428278183 /nfs/dbraw/zinc/27/81/83/428278183.db2.gz ZAVQHQIIVZFSBX-NWDGAFQWSA-N 2 1 304.825 2.899 20 0 DFADMP Cc1nn2c(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000346700347 428279747 /nfs/dbraw/zinc/27/97/47/428279747.db2.gz GVEZJKPYMWFDEP-YPMHNXCESA-N 2 1 321.494 2.795 20 0 DFADMP Cc1nn2c(C[NH2+][C@H]3CCN(C)[C@H](C)C3)c(C(C)C)nc2s1 ZINC000346700347 428279751 /nfs/dbraw/zinc/27/97/51/428279751.db2.gz GVEZJKPYMWFDEP-YPMHNXCESA-N 2 1 321.494 2.795 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1F ZINC000370708316 428281774 /nfs/dbraw/zinc/28/17/74/428281774.db2.gz PMHMXNCDONEFRL-QFBILLFUSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)ccc1F ZINC000370708316 428281781 /nfs/dbraw/zinc/28/17/81/428281781.db2.gz PMHMXNCDONEFRL-QFBILLFUSA-N 2 1 319.468 2.592 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C)C[NH+](C)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000356740891 428290032 /nfs/dbraw/zinc/29/00/32/428290032.db2.gz LEBAEJVFEXCJNU-AEFFLSMTSA-N 2 1 319.493 2.742 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000356740891 428290035 /nfs/dbraw/zinc/29/00/35/428290035.db2.gz LEBAEJVFEXCJNU-AEFFLSMTSA-N 2 1 319.493 2.742 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000356740891 428290039 /nfs/dbraw/zinc/29/00/39/428290039.db2.gz LEBAEJVFEXCJNU-AEFFLSMTSA-N 2 1 319.493 2.742 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(N(C)C2CC[NH+](C(C)C)CC2)n1 ZINC000370749224 428290726 /nfs/dbraw/zinc/29/07/26/428290726.db2.gz VBAOXGDWDXBQTN-UHFFFAOYSA-N 2 1 313.449 2.885 20 0 DFADMP CCc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000414426584 428293166 /nfs/dbraw/zinc/29/31/66/428293166.db2.gz HRBZYMCKMRCWKI-ZBFHGGJFSA-N 2 1 302.466 2.782 20 0 DFADMP CCc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000414426584 428293168 /nfs/dbraw/zinc/29/31/68/428293168.db2.gz HRBZYMCKMRCWKI-ZBFHGGJFSA-N 2 1 302.466 2.782 20 0 DFADMP C[C@H](F)CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352882261 428293262 /nfs/dbraw/zinc/29/32/62/428293262.db2.gz GWOUHNWTVIJJIL-PKOBYXMFSA-N 2 1 319.468 2.627 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342080166 428295080 /nfs/dbraw/zinc/29/50/80/428295080.db2.gz FZTRCBAETDVRCI-SQWLQELKSA-N 2 1 319.424 2.522 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858744 428247670 /nfs/dbraw/zinc/24/76/70/428247670.db2.gz BIWVWMWOKJXBRR-KBPBESRZSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858744 428247674 /nfs/dbraw/zinc/24/76/74/428247674.db2.gz BIWVWMWOKJXBRR-KBPBESRZSA-N 2 1 315.417 2.853 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@@H]2c2cccs2)CC[N@H+]1C ZINC000370620100 428254688 /nfs/dbraw/zinc/25/46/88/428254688.db2.gz KOMKAZMPNICXGC-ANQUJSFKSA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000370620100 428254694 /nfs/dbraw/zinc/25/46/94/428254694.db2.gz KOMKAZMPNICXGC-ANQUJSFKSA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CC[NH+]1C ZINC000370620100 428254699 /nfs/dbraw/zinc/25/46/99/428254699.db2.gz KOMKAZMPNICXGC-ANQUJSFKSA-N 2 1 307.507 2.813 20 0 DFADMP CC[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(OC)c1 ZINC000360339423 428258141 /nfs/dbraw/zinc/25/81/41/428258141.db2.gz UHCDCSYPWNIDDR-GOSISDBHSA-N 2 1 306.450 2.583 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC000377899852 428258483 /nfs/dbraw/zinc/25/84/83/428258483.db2.gz NDRWLUFUGRTUSQ-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414326874 428260371 /nfs/dbraw/zinc/26/03/71/428260371.db2.gz MATWCRULSAKWGF-NSHDSACASA-N 2 1 323.343 2.939 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000346659560 428261401 /nfs/dbraw/zinc/26/14/01/428261401.db2.gz USSNLCWLGUYCBG-MRXNPFEDSA-N 2 1 303.454 2.817 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000346659560 428261405 /nfs/dbraw/zinc/26/14/05/428261405.db2.gz USSNLCWLGUYCBG-MRXNPFEDSA-N 2 1 303.454 2.817 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000360454924 428306379 /nfs/dbraw/zinc/30/63/79/428306379.db2.gz NDNZYNYNDPGOAM-YALNPMBYSA-N 2 1 318.465 2.608 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000378126016 428315325 /nfs/dbraw/zinc/31/53/25/428315325.db2.gz AARGBPUSSBRYQQ-IHPCNDPISA-N 2 1 319.537 2.938 20 0 DFADMP Cc1cnn(CC[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c1 ZINC000342138034 428317610 /nfs/dbraw/zinc/31/76/10/428317610.db2.gz SCQDUOKMJKFJBE-UHFFFAOYSA-N 2 1 313.449 2.604 20 0 DFADMP CN1CC[C@H]2CC[N@H+](Cc3cccc4c3OC(C)(C)C4)[C@@H]2C1 ZINC000352929914 428317961 /nfs/dbraw/zinc/31/79/61/428317961.db2.gz IYNMYIKNHDIQDR-WMLDXEAASA-N 2 1 300.446 2.926 20 0 DFADMP CN1CC[C@H]2CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)[C@@H]2C1 ZINC000352929914 428317963 /nfs/dbraw/zinc/31/79/63/428317963.db2.gz IYNMYIKNHDIQDR-WMLDXEAASA-N 2 1 300.446 2.926 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccn4)s3)C[C@@H]21 ZINC000346816328 428329055 /nfs/dbraw/zinc/32/90/55/428329055.db2.gz AIEJYFCFJNLPND-VHDGCEQUSA-N 2 1 314.458 2.764 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000356844009 428334222 /nfs/dbraw/zinc/33/42/22/428334222.db2.gz LYIPOGOZOBEQEA-HUUCEWRRSA-N 2 1 319.415 2.620 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(C(=O)N2CCCCC2)CC1 ZINC000356840252 428335382 /nfs/dbraw/zinc/33/53/82/428335382.db2.gz DNUHQVSLPPHHOA-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP CCCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346831311 428336189 /nfs/dbraw/zinc/33/61/89/428336189.db2.gz XRZZXDCILVAOIT-JYJNAYRXSA-N 2 1 304.434 2.653 20 0 DFADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)c(SC)cc1OC ZINC000346832570 428337296 /nfs/dbraw/zinc/33/72/96/428337296.db2.gz LMEBZHQPNRDEON-NEPJUHHUSA-N 2 1 310.463 2.595 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@H]21 ZINC000346833513 428338130 /nfs/dbraw/zinc/33/81/30/428338130.db2.gz RPTNOXWVAKCYLW-NMFUWQPSSA-N 2 1 307.463 2.554 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc([C@H]4CCCO4)s3)C[C@H]21 ZINC000346833513 428338137 /nfs/dbraw/zinc/33/81/37/428338137.db2.gz RPTNOXWVAKCYLW-NMFUWQPSSA-N 2 1 307.463 2.554 20 0 DFADMP CCOCc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346844746 428342303 /nfs/dbraw/zinc/34/23/03/428342303.db2.gz JWHIPOSZAJCDDH-JQHSSLGASA-N 2 1 318.461 2.791 20 0 DFADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1C[C@H]1CCC[NH2+]C1)OCCO2 ZINC000346852476 428345658 /nfs/dbraw/zinc/34/56/58/428345658.db2.gz RREIUBRDAFQSSR-HOCLYGCPSA-N 2 1 302.418 2.594 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000346852483 428347045 /nfs/dbraw/zinc/34/70/45/428347045.db2.gz RTJJDYSNHXDUNU-FQEVSTJZSA-N 3 1 315.505 2.830 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000346856843 428347126 /nfs/dbraw/zinc/34/71/26/428347126.db2.gz PRXWJCCCDPNLJX-CFVMTHIKSA-N 2 1 308.495 2.549 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H](CO)C3)sc2C1 ZINC000414569115 428347599 /nfs/dbraw/zinc/34/75/99/428347599.db2.gz IGKYWFWXJYKWLV-ZIAGYGMSSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@@H](CO)C3)sc2C1 ZINC000414569115 428347607 /nfs/dbraw/zinc/34/76/07/428347607.db2.gz IGKYWFWXJYKWLV-ZIAGYGMSSA-N 2 1 323.506 2.550 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346852484 428347615 /nfs/dbraw/zinc/34/76/15/428347615.db2.gz RTJJDYSNHXDUNU-HXUWFJFHSA-N 3 1 315.505 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]12 ZINC000346854216 428347917 /nfs/dbraw/zinc/34/79/17/428347917.db2.gz TZMKRQZENQVNRB-FFZOFVMBSA-N 2 1 323.440 2.830 20 0 DFADMP CCc1cccnc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000356887503 428350522 /nfs/dbraw/zinc/35/05/22/428350522.db2.gz YOWYGPGAWFLSJL-NVXWUHKLSA-N 2 1 305.466 2.532 20 0 DFADMP C[C@](O)(C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)C(F)(F)F ZINC000378405124 428388818 /nfs/dbraw/zinc/38/88/18/428388818.db2.gz QLFARISCCAGYSG-HNNXBMFYSA-N 2 1 322.415 2.934 20 0 DFADMP COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414735214 428390373 /nfs/dbraw/zinc/39/03/73/428390373.db2.gz CETPMWVZMZXTOO-ZFWWWQNUSA-N 2 1 324.852 2.703 20 0 DFADMP COC(=O)C[N@H+](Cc1ccc(Cl)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414735214 428390376 /nfs/dbraw/zinc/39/03/76/428390376.db2.gz CETPMWVZMZXTOO-ZFWWWQNUSA-N 2 1 324.852 2.703 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104498 428390703 /nfs/dbraw/zinc/39/07/03/428390703.db2.gz LDRTYEDBKVEKHW-CVEARBPZSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104498 428390709 /nfs/dbraw/zinc/39/07/09/428390709.db2.gz LDRTYEDBKVEKHW-CVEARBPZSA-N 2 1 304.434 2.525 20 0 DFADMP COC(=O)CCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414751329 428392405 /nfs/dbraw/zinc/39/24/05/428392405.db2.gz INMTYYYXZNMPIB-AEFFLSMTSA-N 2 1 318.461 2.830 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000414750875 428392905 /nfs/dbraw/zinc/39/29/05/428392905.db2.gz YZQVPRQOILCNNF-IRXDYDNUSA-N 2 1 308.466 2.510 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@@H+](C[C@H](O)COc1ccccc1)C(C)C ZINC000414750875 428392911 /nfs/dbraw/zinc/39/29/11/428392911.db2.gz YZQVPRQOILCNNF-IRXDYDNUSA-N 2 1 308.466 2.510 20 0 DFADMP CCOC(=O)C1CCC([N@@H+](CC)C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414747747 428392949 /nfs/dbraw/zinc/39/29/49/428392949.db2.gz SRJVEXROVMGFDK-JUVOFCAFSA-N 2 1 310.482 2.818 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000346981506 428395374 /nfs/dbraw/zinc/39/53/74/428395374.db2.gz OBIIVTNPIJYJOQ-LSDHHAIUSA-N 2 1 320.481 2.776 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]1 ZINC000414761076 428395730 /nfs/dbraw/zinc/39/57/30/428395730.db2.gz ZZWGUEUMANUAMT-QZTJIDSGSA-N 2 1 324.472 2.909 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414768183 428396890 /nfs/dbraw/zinc/39/68/90/428396890.db2.gz UNFFFOKRNCFKRJ-GOSISDBHSA-N 2 1 314.408 2.505 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000414768183 428396895 /nfs/dbraw/zinc/39/68/95/428396895.db2.gz UNFFFOKRNCFKRJ-GOSISDBHSA-N 2 1 314.408 2.505 20 0 DFADMP C[C@@H]1CCc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2C1 ZINC000414763384 428399046 /nfs/dbraw/zinc/39/90/46/428399046.db2.gz BTMGOCYELCFFGU-MCIONIFRSA-N 2 1 305.491 2.699 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000346995298 428400526 /nfs/dbraw/zinc/40/05/26/428400526.db2.gz BFBFFSCPFKXPTE-IAQYHMDHSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000346995298 428400531 /nfs/dbraw/zinc/40/05/31/428400531.db2.gz BFBFFSCPFKXPTE-IAQYHMDHSA-N 2 1 304.825 2.899 20 0 DFADMP FC(F)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414775089 428401315 /nfs/dbraw/zinc/40/13/15/428401315.db2.gz ZGSKTFHHVZXOLI-GASCZTMLSA-N 2 1 310.388 2.762 20 0 DFADMP CCOc1c(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)nn1CC(C)C ZINC000346997918 428401681 /nfs/dbraw/zinc/40/16/81/428401681.db2.gz DRPGWGUPGMAAKI-GDBMZVCRSA-N 2 1 322.497 2.805 20 0 DFADMP CCOc1c(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(C)nn1CC(C)C ZINC000346997918 428401686 /nfs/dbraw/zinc/40/16/86/428401686.db2.gz DRPGWGUPGMAAKI-GDBMZVCRSA-N 2 1 322.497 2.805 20 0 DFADMP CC(C)([NH3+])CN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000346998925 428403102 /nfs/dbraw/zinc/40/31/02/428403102.db2.gz YMQNIQSUQNONAV-QZTJIDSGSA-N 2 1 301.478 2.710 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780634 428404862 /nfs/dbraw/zinc/40/48/62/428404862.db2.gz LUKJVLCUHONJQC-UXHICEINSA-N 2 1 324.472 2.753 20 0 DFADMP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000371879945 428407094 /nfs/dbraw/zinc/40/70/94/428407094.db2.gz NFPBNTSOWBQURL-HKUYNNGSSA-N 2 1 317.452 2.525 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000371879945 428407100 /nfs/dbraw/zinc/40/71/00/428407100.db2.gz NFPBNTSOWBQURL-HKUYNNGSSA-N 2 1 317.452 2.525 20 0 DFADMP CC(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414785201 428407209 /nfs/dbraw/zinc/40/72/09/428407209.db2.gz JIYFRJPXPBUOGN-GOSISDBHSA-N 2 1 302.462 2.997 20 0 DFADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357146148 428407382 /nfs/dbraw/zinc/40/73/82/428407382.db2.gz MKTLUXYCRSSWHT-FUHWJXTLSA-N 2 1 311.404 2.929 20 0 DFADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357146148 428407387 /nfs/dbraw/zinc/40/73/87/428407387.db2.gz MKTLUXYCRSSWHT-FUHWJXTLSA-N 2 1 311.404 2.929 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789762 428409674 /nfs/dbraw/zinc/40/96/74/428409674.db2.gz YWMVEBRSIVIUMJ-SJORKVTESA-N 2 1 310.445 2.898 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000357151183 428410410 /nfs/dbraw/zinc/41/04/10/428410410.db2.gz SLUGXNCEPBAIHU-HZPDHXFCSA-N 2 1 311.514 2.637 20 0 DFADMP CC[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414786288 428411086 /nfs/dbraw/zinc/41/10/86/428411086.db2.gz UMRZBGBLBPWKOV-FUHWJXTLSA-N 2 1 302.462 2.868 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000414653680 428364467 /nfs/dbraw/zinc/36/44/67/428364467.db2.gz BGQQOVOWPITQNM-PSASIEDQSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)s1 ZINC000414653680 428364470 /nfs/dbraw/zinc/36/44/70/428364470.db2.gz BGQQOVOWPITQNM-PSASIEDQSA-N 2 1 303.269 2.988 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414674463 428369459 /nfs/dbraw/zinc/36/94/59/428369459.db2.gz SAZIGPOVYFUIDD-OWCLPIDISA-N 2 1 313.449 2.648 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H](CO)C1CC1 ZINC000353059683 428372603 /nfs/dbraw/zinc/37/26/03/428372603.db2.gz HQDDBKCMMRUFBD-GOSISDBHSA-N 2 1 304.478 2.753 20 0 DFADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414676043 428373319 /nfs/dbraw/zinc/37/33/19/428373319.db2.gz MTPNIUIEMABPTO-NUJGCVRESA-N 2 1 318.461 2.686 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000353068936 428373428 /nfs/dbraw/zinc/37/34/28/428373428.db2.gz FGNQTRCRMDCGJF-HNNXBMFYSA-N 2 1 315.465 2.786 20 0 DFADMP CSc1ccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414791843 428413500 /nfs/dbraw/zinc/41/35/00/428413500.db2.gz RLCJVAZBCPCENA-OAHLLOKOSA-N 2 1 306.475 2.596 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)c(C)c1 ZINC000414675775 428373804 /nfs/dbraw/zinc/37/38/04/428373804.db2.gz MMZAUESVNINGBE-DLBZAZTESA-N 2 1 317.477 2.870 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)c(C)c1 ZINC000414675910 428374191 /nfs/dbraw/zinc/37/41/91/428374191.db2.gz MMZAUESVNINGBE-SJORKVTESA-N 2 1 317.477 2.870 20 0 DFADMP CC(C)[C@@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688522 428375010 /nfs/dbraw/zinc/37/50/10/428375010.db2.gz DRDYLJGNVNKWLP-LPHOPBHVSA-N 2 1 317.477 2.513 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371174197 428376494 /nfs/dbraw/zinc/37/64/94/428376494.db2.gz BTYOITXUSIOKKV-QGZVFWFLSA-N 2 1 310.482 2.918 20 0 DFADMP CCc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357066654 428377081 /nfs/dbraw/zinc/37/70/81/428377081.db2.gz BPGMOTJQNOAPNY-KRWDZBQOSA-N 2 1 315.461 2.509 20 0 DFADMP c1ccc(Oc2cccnc2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357066982 428377570 /nfs/dbraw/zinc/37/75/70/428377570.db2.gz DHORGJWOXQNHEB-RDJZCZTQSA-N 2 1 309.413 2.915 20 0 DFADMP c1ccc(Oc2cccnc2)c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357066982 428377573 /nfs/dbraw/zinc/37/75/73/428377573.db2.gz DHORGJWOXQNHEB-RDJZCZTQSA-N 2 1 309.413 2.915 20 0 DFADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357073622 428379016 /nfs/dbraw/zinc/37/90/16/428379016.db2.gz HYZMODPZPJGQOQ-UONOGXRCSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000357073622 428379021 /nfs/dbraw/zinc/37/90/21/428379021.db2.gz HYZMODPZPJGQOQ-UONOGXRCSA-N 2 1 301.821 2.930 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000414694476 428379046 /nfs/dbraw/zinc/37/90/46/428379046.db2.gz NXFFHZDEKAROGJ-IIYDPXPESA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000414694476 428379049 /nfs/dbraw/zinc/37/90/49/428379049.db2.gz NXFFHZDEKAROGJ-IIYDPXPESA-N 2 1 310.388 2.726 20 0 DFADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357073625 428379120 /nfs/dbraw/zinc/37/91/20/428379120.db2.gz HYZMODPZPJGQOQ-ZIAGYGMSSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357073625 428379125 /nfs/dbraw/zinc/37/91/25/428379125.db2.gz HYZMODPZPJGQOQ-ZIAGYGMSSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357073620 428379615 /nfs/dbraw/zinc/37/96/15/428379615.db2.gz HYZMODPZPJGQOQ-KGLIPLIRSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357073620 428379620 /nfs/dbraw/zinc/37/96/20/428379620.db2.gz HYZMODPZPJGQOQ-KGLIPLIRSA-N 2 1 301.821 2.930 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(c3ccccn3)CCC2)s1 ZINC000353084247 428379783 /nfs/dbraw/zinc/37/97/83/428379783.db2.gz IUOIHCZXWHXDKC-UHFFFAOYSA-N 2 1 316.474 2.811 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)n1 ZINC000414702474 428380414 /nfs/dbraw/zinc/38/04/14/428380414.db2.gz XHYJIQZFQQAGOW-ULQDDVLXSA-N 2 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)[nH+]1 ZINC000414702474 428380419 /nfs/dbraw/zinc/38/04/19/428380419.db2.gz XHYJIQZFQQAGOW-ULQDDVLXSA-N 3 1 302.466 2.512 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)[nH+]1 ZINC000414702474 428380423 /nfs/dbraw/zinc/38/04/23/428380423.db2.gz XHYJIQZFQQAGOW-ULQDDVLXSA-N 3 1 302.466 2.512 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414702564 428381017 /nfs/dbraw/zinc/38/10/17/428381017.db2.gz HZODSBPREWCYCZ-RRFJBIMHSA-N 2 1 324.469 2.623 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414702564 428381023 /nfs/dbraw/zinc/38/10/23/428381023.db2.gz HZODSBPREWCYCZ-RRFJBIMHSA-N 2 1 324.469 2.623 20 0 DFADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@H]1COc2ccccc2O1 ZINC000414703728 428381165 /nfs/dbraw/zinc/38/11/65/428381165.db2.gz LVGJKELGKFQMBW-BBWFWOEESA-N 2 1 318.461 2.927 20 0 DFADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357088388 428381330 /nfs/dbraw/zinc/38/13/30/428381330.db2.gz SKSUATVGJIAALA-HNNXBMFYSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357088388 428381334 /nfs/dbraw/zinc/38/13/34/428381334.db2.gz SKSUATVGJIAALA-HNNXBMFYSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@H]1C[N@@H+](CCCCC(F)(F)F)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000371301052 428381651 /nfs/dbraw/zinc/38/16/51/428381651.db2.gz CWZANTKCSRPXML-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)C1)CC(F)(F)F ZINC000414711484 428382548 /nfs/dbraw/zinc/38/25/48/428382548.db2.gz SNFJZTPPOZBSAP-KKUMJFAQSA-N 2 1 321.431 2.581 20 0 DFADMP C[C@H]1C[C@H](C[N@H+](C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713719 428382674 /nfs/dbraw/zinc/38/26/74/428382674.db2.gz WQKCFPHJZGOUBZ-VHSXEESVSA-N 2 1 307.385 2.982 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713719 428382681 /nfs/dbraw/zinc/38/26/81/428382681.db2.gz WQKCFPHJZGOUBZ-VHSXEESVSA-N 2 1 307.385 2.982 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)CC[NH2+]1 ZINC000414714984 428384269 /nfs/dbraw/zinc/38/42/69/428384269.db2.gz WDXIMUJCAPGLOH-NEWSRXKRSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000378398155 428386033 /nfs/dbraw/zinc/38/60/33/428386033.db2.gz CFJVXRSABFXJBG-AWEZNQCLSA-N 2 1 308.388 2.686 20 0 DFADMP CCn1cc(CN2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)cn1 ZINC000360776930 428434149 /nfs/dbraw/zinc/43/41/49/428434149.db2.gz ILQIUDOPRVLWRU-FHWLQOOXSA-N 2 1 310.445 2.638 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347075958 428434934 /nfs/dbraw/zinc/43/49/34/428434934.db2.gz UVMGNEINHCSNFR-INIZCTEOSA-N 2 1 306.413 2.806 20 0 DFADMP COc1cc(C[NH2+]CC2([NH3+])CCCCCC2)cc(OC)c1O ZINC000414858791 428436269 /nfs/dbraw/zinc/43/62/69/428436269.db2.gz LKTJFWLHKLJNKC-UHFFFAOYSA-N 2 1 308.422 2.551 20 0 DFADMP Cn1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2cccs2)n1 ZINC000347089539 428438728 /nfs/dbraw/zinc/43/87/28/428438728.db2.gz FBCSYZMZWJQZLL-YIONKMFJSA-N 2 1 316.474 2.863 20 0 DFADMP Cn1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(-c2cccs2)n1 ZINC000347089539 428438733 /nfs/dbraw/zinc/43/87/33/428438733.db2.gz FBCSYZMZWJQZLL-YIONKMFJSA-N 2 1 316.474 2.863 20 0 DFADMP C[C@@H](C[NH3+])C[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414870696 428440997 /nfs/dbraw/zinc/44/09/97/428440997.db2.gz CDXQTZLGPSMVJJ-JTQLQIEISA-N 2 1 323.238 2.524 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH3+])C2)cc1OCCC(C)C ZINC000347098818 428444744 /nfs/dbraw/zinc/44/47/44/428444744.db2.gz IRKKFGAJPJMEGV-MRXNPFEDSA-N 2 1 306.450 2.901 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C[NH3+])C2)cc1OCCC(C)C ZINC000347098818 428444748 /nfs/dbraw/zinc/44/47/48/428444748.db2.gz IRKKFGAJPJMEGV-MRXNPFEDSA-N 2 1 306.450 2.901 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357238066 428447667 /nfs/dbraw/zinc/44/76/67/428447667.db2.gz PMSOBBIWVJAYDR-KBAYOESNSA-N 2 1 322.518 2.601 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347108338 428448448 /nfs/dbraw/zinc/44/84/48/428448448.db2.gz MRQJRHRXONLMPU-SFHVURJKSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347108338 428448452 /nfs/dbraw/zinc/44/84/52/428448452.db2.gz MRQJRHRXONLMPU-SFHVURJKSA-N 2 1 311.429 2.702 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414901879 428450180 /nfs/dbraw/zinc/45/01/80/428450180.db2.gz GPXXQKRBENXSQL-GOSISDBHSA-N 2 1 312.461 2.556 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+]C[C@@H]([NH3+])C3CC3)cc2)cs1 ZINC000414895840 428450477 /nfs/dbraw/zinc/45/04/77/428450477.db2.gz ZYOHWKZSBGPEIM-QGZVFWFLSA-N 2 1 317.458 2.857 20 0 DFADMP CC(C)([NH3+])CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379660173 428451224 /nfs/dbraw/zinc/45/12/24/428451224.db2.gz BUVLSGBPVLYSIV-KRWDZBQOSA-N 2 1 317.477 2.675 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1OC ZINC000414902747 428452532 /nfs/dbraw/zinc/45/25/32/428452532.db2.gz IFZLLBMNNLIWDZ-CYBMUJFWSA-N 2 1 312.841 2.979 20 0 DFADMP OCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000380964547 428453684 /nfs/dbraw/zinc/45/36/84/428453684.db2.gz XZTBKYYVYZEXMY-HXUWFJFHSA-N 2 1 310.441 2.791 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000414910477 428453748 /nfs/dbraw/zinc/45/37/48/428453748.db2.gz CWVVMCQWEUXFCP-IEBWSBKVSA-N 2 1 301.478 2.553 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414910477 428453752 /nfs/dbraw/zinc/45/37/52/428453752.db2.gz CWVVMCQWEUXFCP-IEBWSBKVSA-N 3 1 301.478 2.553 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@]2(C)CCC[NH2+]C2)c1 ZINC000414914714 428455397 /nfs/dbraw/zinc/45/53/97/428455397.db2.gz XZMNGUFZUGUPLY-MRXNPFEDSA-N 2 1 314.376 2.776 20 0 DFADMP CCOc1cccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c1OC(F)F ZINC000414920166 428456578 /nfs/dbraw/zinc/45/65/78/428456578.db2.gz WWWKABXEUVVJDZ-CYBMUJFWSA-N 2 1 314.376 2.918 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000414919634 428457192 /nfs/dbraw/zinc/45/71/92/428457192.db2.gz VLKJTMTWQCTYSM-CYBMUJFWSA-N 2 1 313.239 2.689 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000386768831 428460289 /nfs/dbraw/zinc/46/02/89/428460289.db2.gz HHJVVQSPBHAAPC-FUHWJXTLSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414929793 428461274 /nfs/dbraw/zinc/46/12/74/428461274.db2.gz PALLVZRSNQBODG-CJNGLKHVSA-N 2 1 321.440 2.911 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OCC(C)C ZINC000414953713 428470863 /nfs/dbraw/zinc/47/08/63/428470863.db2.gz RUXQWRNXVWNIDI-GDBMZVCRSA-N 2 1 306.450 2.960 20 0 DFADMP Cc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414944243 428465207 /nfs/dbraw/zinc/46/52/07/428465207.db2.gz PKLDDJRFIBOAMR-LDYMZIIASA-N 2 1 303.269 2.907 20 0 DFADMP FC(F)Oc1cccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000372576834 428466025 /nfs/dbraw/zinc/46/60/25/428466025.db2.gz MHXSLEQZHHYYIR-ZDUSSCGKSA-N 2 1 307.344 2.837 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[NH2+]1 ZINC000414946745 428466670 /nfs/dbraw/zinc/46/66/70/428466670.db2.gz KBQGCEZAQMZDOD-NVXWUHKLSA-N 2 1 311.429 2.891 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC[NH2+]1 ZINC000414944852 428467202 /nfs/dbraw/zinc/46/72/02/428467202.db2.gz HLGSNUWDFIJJNK-JFRXWTBNSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347035565 428416491 /nfs/dbraw/zinc/41/64/91/428416491.db2.gz DMSKISLTGVJHLQ-WCQYABFASA-N 2 1 304.463 2.832 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(C3CC3)nc3sccn23)C1 ZINC000347035565 428416497 /nfs/dbraw/zinc/41/64/97/428416497.db2.gz DMSKISLTGVJHLQ-WCQYABFASA-N 2 1 304.463 2.832 20 0 DFADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1ccccc1Cl ZINC000414803753 428416546 /nfs/dbraw/zinc/41/65/46/428416546.db2.gz WTTZJTFYYXWRSM-OAHLLOKOSA-N 2 1 306.841 2.813 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000414801718 428416774 /nfs/dbraw/zinc/41/67/74/428416774.db2.gz MALHTLCXXILLCN-OQIJWPOYSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000414801718 428416779 /nfs/dbraw/zinc/41/67/79/428416779.db2.gz MALHTLCXXILLCN-OQIJWPOYSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360863019 428469719 /nfs/dbraw/zinc/46/97/19/428469719.db2.gz YNTBNEKJNHEZSW-SQGPQFPESA-N 2 1 324.472 2.908 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360863019 428469723 /nfs/dbraw/zinc/46/97/23/428469723.db2.gz YNTBNEKJNHEZSW-SQGPQFPESA-N 2 1 324.472 2.908 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)o1 ZINC000414808541 428417895 /nfs/dbraw/zinc/41/78/95/428417895.db2.gz KXJURANKXWPKAQ-LBPRGKRZSA-N 2 1 302.374 2.766 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cccc(O)c1Br ZINC000414807083 428417975 /nfs/dbraw/zinc/41/79/75/428417975.db2.gz QSGIZJBQOOEPEM-CMPLNLGQSA-N 2 1 313.239 2.762 20 0 DFADMP CCCC[C@H](C[NH3+])NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414806340 428419309 /nfs/dbraw/zinc/41/93/09/428419309.db2.gz BMBZUHTVEGMDNO-CYBMUJFWSA-N 2 1 310.511 2.517 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH+]1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547891 428424112 /nfs/dbraw/zinc/42/41/12/428424112.db2.gz JLFDBFKLKQPWSP-GOSISDBHSA-N 3 1 316.493 2.714 20 0 DFADMP C[NH+](CC[C@H]1CCC[N@@H+]1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547891 428424119 /nfs/dbraw/zinc/42/41/19/428424119.db2.gz JLFDBFKLKQPWSP-GOSISDBHSA-N 3 1 316.493 2.714 20 0 DFADMP C[NH+](CC[C@H]1CCC[N@H+]1C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547891 428424127 /nfs/dbraw/zinc/42/41/27/428424127.db2.gz JLFDBFKLKQPWSP-GOSISDBHSA-N 3 1 316.493 2.714 20 0 DFADMP CN1CCC[C@@H]1CC[N@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547891 428424134 /nfs/dbraw/zinc/42/41/34/428424134.db2.gz JLFDBFKLKQPWSP-GOSISDBHSA-N 2 1 316.493 2.714 20 0 DFADMP CN1CCC[C@@H]1CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378547891 428424140 /nfs/dbraw/zinc/42/41/40/428424140.db2.gz JLFDBFKLKQPWSP-GOSISDBHSA-N 2 1 316.493 2.714 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414825739 428424368 /nfs/dbraw/zinc/42/43/68/428424368.db2.gz UHVJDIXXSMTMJS-AAEUAGOBSA-N 2 1 310.825 2.604 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414825744 428425882 /nfs/dbraw/zinc/42/58/82/428425882.db2.gz HPKNJXHUJGBSBB-HNNXBMFYSA-N 2 1 316.424 2.717 20 0 DFADMP [NH3+]C[C@@H](NC1CC[NH+](Cc2cccnc2)CC1)C1CCCCC1 ZINC000414841594 428428923 /nfs/dbraw/zinc/42/89/23/428428923.db2.gz NMYSTWPVAVRBCZ-LJQANCHMSA-N 2 1 316.493 2.543 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@@H]1CCC[NH2+]C1 ZINC000414838615 428430309 /nfs/dbraw/zinc/43/03/09/428430309.db2.gz XBINYFHGVPXGJC-GOSISDBHSA-N 2 1 303.494 2.734 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414838615 428430315 /nfs/dbraw/zinc/43/03/15/428430315.db2.gz XBINYFHGVPXGJC-GOSISDBHSA-N 3 1 303.494 2.734 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414838615 428430317 /nfs/dbraw/zinc/43/03/17/428430317.db2.gz XBINYFHGVPXGJC-GOSISDBHSA-N 3 1 303.494 2.734 20 0 DFADMP OC[C@H]1CCCN1C[C@H]1CCC[N@H+]1CCCCc1ccccc1 ZINC000372343175 428432756 /nfs/dbraw/zinc/43/27/56/428432756.db2.gz BOOKIEUTDNHMQR-WOJBJXKFSA-N 2 1 316.489 2.930 20 0 DFADMP OC[C@H]1CCC[N@@H+]1C[C@H]1CCCN1CCCCc1ccccc1 ZINC000372343175 428432763 /nfs/dbraw/zinc/43/27/63/428432763.db2.gz BOOKIEUTDNHMQR-WOJBJXKFSA-N 2 1 316.489 2.930 20 0 DFADMP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1CCCCc1ccccc1 ZINC000372343175 428432774 /nfs/dbraw/zinc/43/27/74/428432774.db2.gz BOOKIEUTDNHMQR-WOJBJXKFSA-N 2 1 316.489 2.930 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002336 428485050 /nfs/dbraw/zinc/48/50/50/428485050.db2.gz MBUBKHUVTGAQRK-ZIAGYGMSSA-N 3 1 322.522 2.517 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002336 428485060 /nfs/dbraw/zinc/48/50/60/428485060.db2.gz MBUBKHUVTGAQRK-ZIAGYGMSSA-N 3 1 322.522 2.517 20 0 DFADMP Fc1cc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)ccc1OC(F)F ZINC000415002340 428485854 /nfs/dbraw/zinc/48/58/54/428485854.db2.gz MBZWPTUUCBUBKQ-SNVBAGLBSA-N 2 1 324.293 2.762 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1coc(-c2ccccc2)n1 ZINC000415002857 428486542 /nfs/dbraw/zinc/48/65/42/428486542.db2.gz MOOFVWKUQJKBIP-CYBMUJFWSA-N 2 1 307.344 2.676 20 0 DFADMP Cc1[nH+]ccc(N2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1Cl ZINC000357343186 428491028 /nfs/dbraw/zinc/49/10/28/428491028.db2.gz ZVEOQOOCMLGGOF-HNNXBMFYSA-N 2 1 322.884 2.650 20 0 DFADMP COc1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000360927743 428494420 /nfs/dbraw/zinc/49/44/20/428494420.db2.gz PGZIEXDSKOHVNE-NZSAHSFTSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000360927743 428494423 /nfs/dbraw/zinc/49/44/23/428494423.db2.gz PGZIEXDSKOHVNE-NZSAHSFTSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000360927743 428494429 /nfs/dbraw/zinc/49/44/29/428494429.db2.gz PGZIEXDSKOHVNE-NZSAHSFTSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCc1ccccc1 ZINC000415035936 428495181 /nfs/dbraw/zinc/49/51/81/428495181.db2.gz LKXWHEVQPUEHOF-YRWFTTLQSA-N 2 1 324.424 2.582 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415037621 428495314 /nfs/dbraw/zinc/49/53/14/428495314.db2.gz GWIYWSBUUGKYPW-KDOFPFPSSA-N 2 1 304.482 2.509 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000415050640 428499849 /nfs/dbraw/zinc/49/98/49/428499849.db2.gz IXFMSGCMKDWZMP-IAGOWNOFSA-N 2 1 306.450 2.707 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415052257 428500232 /nfs/dbraw/zinc/50/02/32/428500232.db2.gz MZLMFEOIIJBLAL-WBVHZDCISA-N 2 1 318.461 2.976 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415053658 428500405 /nfs/dbraw/zinc/50/04/05/428500405.db2.gz OZCYIRZPEAMJJY-YJBOKZPZSA-N 2 1 311.429 2.904 20 0 DFADMP C[C@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000396679597 428501140 /nfs/dbraw/zinc/50/11/40/428501140.db2.gz VJZJOCVVAYUGNQ-PANBIXPWSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059735 428503287 /nfs/dbraw/zinc/50/32/87/428503287.db2.gz YTKKBIKJGJTYNE-KCITZHQASA-N 2 1 301.478 2.739 20 0 DFADMP C[C@@H](c1ccccc1)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059735 428503292 /nfs/dbraw/zinc/50/32/92/428503292.db2.gz YTKKBIKJGJTYNE-KCITZHQASA-N 2 1 301.478 2.739 20 0 DFADMP C[C@@H](c1ccccc1)N1CC[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059735 428503296 /nfs/dbraw/zinc/50/32/96/428503296.db2.gz YTKKBIKJGJTYNE-KCITZHQASA-N 2 1 301.478 2.739 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCOC3CCC3)C1)CCCC2 ZINC000347230670 428503898 /nfs/dbraw/zinc/50/38/98/428503898.db2.gz OIQUZXJWGONTII-OAHLLOKOSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCOC3CCC3)C1)CCCC2 ZINC000347230670 428503903 /nfs/dbraw/zinc/50/39/03/428503903.db2.gz OIQUZXJWGONTII-OAHLLOKOSA-N 2 1 303.450 2.886 20 0 DFADMP OC1(CC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000396797984 428504112 /nfs/dbraw/zinc/50/41/12/428504112.db2.gz ZKCUSDXKKPCMOV-MOPGFXCFSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(CC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCC1 ZINC000396797984 428504117 /nfs/dbraw/zinc/50/41/17/428504117.db2.gz ZKCUSDXKKPCMOV-MOPGFXCFSA-N 2 1 314.473 2.745 20 0 DFADMP COc1ccc(CC[C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1O ZINC000415058442 428504675 /nfs/dbraw/zinc/50/46/75/428504675.db2.gz RRBUBWVACBYJEM-QWQRMKEZSA-N 2 1 306.450 2.639 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415057035 428504731 /nfs/dbraw/zinc/50/47/31/428504731.db2.gz SYTGHBBOAUABHK-CVEARBPZSA-N 2 1 304.434 2.668 20 0 DFADMP c1cnc2c(c1)cccc2C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060436 428506988 /nfs/dbraw/zinc/50/69/88/428506988.db2.gz WUFFVWHIWWYWDJ-UHFFFAOYSA-N 2 1 324.472 2.541 20 0 DFADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397070769 428506999 /nfs/dbraw/zinc/50/69/99/428506999.db2.gz LVLYDFAOISQBIV-JTQLQIEISA-N 2 1 303.233 2.840 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C[NH3+])C2CCCC2)C1 ZINC000415064719 428507310 /nfs/dbraw/zinc/50/73/10/428507310.db2.gz LHENDIDPXOFDLG-LZQZEXGQSA-N 2 1 301.478 2.929 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397458001 428508216 /nfs/dbraw/zinc/50/82/16/428508216.db2.gz PDRFFJFVLGQAMJ-LZWOXQAQSA-N 2 1 304.434 2.573 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000397458001 428508222 /nfs/dbraw/zinc/50/82/22/428508222.db2.gz PDRFFJFVLGQAMJ-LZWOXQAQSA-N 2 1 304.434 2.573 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000415067031 428510227 /nfs/dbraw/zinc/51/02/27/428510227.db2.gz JWOBYIQEBHPFGD-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP COc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000415068455 428511169 /nfs/dbraw/zinc/51/11/69/428511169.db2.gz RBJXEBCARVAHSZ-DYVFJYSZSA-N 2 1 319.449 2.519 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415069712 428511252 /nfs/dbraw/zinc/51/12/52/428511252.db2.gz TVOKGLNKYCTRRO-CJNGLKHVSA-N 2 1 304.434 2.844 20 0 DFADMP Cc1nn(C)c(C)c1CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084503 428514843 /nfs/dbraw/zinc/51/48/43/428514843.db2.gz OPZDDSICGYPSRD-HKUYNNGSSA-N 2 1 312.461 2.662 20 0 DFADMP OCc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415084611 428516027 /nfs/dbraw/zinc/51/60/27/428516027.db2.gz GYNANQHGTUPVPB-HKUYNNGSSA-N 2 1 314.404 2.901 20 0 DFADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2c(F)cccc2F)CC1 ZINC000415101489 428521530 /nfs/dbraw/zinc/52/15/30/428521530.db2.gz BNPBKCJCVBPIDT-DLBZAZTESA-N 2 1 310.388 2.683 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000415131457 428531955 /nfs/dbraw/zinc/53/19/55/428531955.db2.gz SHGITCLOTMLSFZ-ZYHUDNBSSA-N 2 1 302.340 2.844 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000415131457 428531958 /nfs/dbraw/zinc/53/19/58/428531958.db2.gz SHGITCLOTMLSFZ-ZYHUDNBSSA-N 2 1 302.340 2.844 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OCC ZINC000415121377 428525857 /nfs/dbraw/zinc/52/58/57/428525857.db2.gz GYPUTUSZVWTXKR-GOEBONIOSA-N 2 1 306.450 2.901 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000415119270 428525994 /nfs/dbraw/zinc/52/59/94/428525994.db2.gz FFCHCQLHRIKUDL-HOTGVXAUSA-N 2 1 323.506 2.985 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cc(-c3ccccc3)cs2)CCCO1 ZINC000415118482 428526851 /nfs/dbraw/zinc/52/68/51/428526851.db2.gz YHLPQWAKLGXNGM-INIZCTEOSA-N 2 1 302.443 2.965 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cc(-c3ccccc3)cs2)CCCO1 ZINC000415118482 428526854 /nfs/dbraw/zinc/52/68/54/428526854.db2.gz YHLPQWAKLGXNGM-INIZCTEOSA-N 2 1 302.443 2.965 20 0 DFADMP COCCSCCC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000373246952 428527216 /nfs/dbraw/zinc/52/72/16/428527216.db2.gz PWNVFNLGJXBWGQ-KRWDZBQOSA-N 2 1 314.539 2.954 20 0 DFADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC000415126130 428529560 /nfs/dbraw/zinc/52/95/60/428529560.db2.gz PHVKKGZFOFZSPJ-SUMWQHHRSA-N 2 1 310.388 2.683 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000390627116 428472162 /nfs/dbraw/zinc/47/21/62/428472162.db2.gz MWIVJUUMIUHLMR-DJIMGWMZSA-N 2 1 316.445 2.953 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12 ZINC000390627116 428472168 /nfs/dbraw/zinc/47/21/68/428472168.db2.gz MWIVJUUMIUHLMR-DJIMGWMZSA-N 2 1 316.445 2.953 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390623795 428473416 /nfs/dbraw/zinc/47/34/16/428473416.db2.gz CRXQRPNIGBONIC-VNVJMFPYSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390623795 428473421 /nfs/dbraw/zinc/47/34/21/428473421.db2.gz CRXQRPNIGBONIC-VNVJMFPYSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390623795 428473427 /nfs/dbraw/zinc/47/34/27/428473427.db2.gz CRXQRPNIGBONIC-VNVJMFPYSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390551562 428474140 /nfs/dbraw/zinc/47/41/40/428474140.db2.gz CQNYNUHPGGPHCA-UHOSZYNNSA-N 2 1 301.478 2.771 20 0 DFADMP CC(C)(C[NH2+]Cc1cnc(C(C)(C)C)nc1)C[NH+]1CCCC1 ZINC000342853205 428475301 /nfs/dbraw/zinc/47/53/01/428475301.db2.gz NLVKGFSWEKRKGV-UHFFFAOYSA-N 2 1 304.482 2.986 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c(C)c1 ZINC000414963138 428476463 /nfs/dbraw/zinc/47/64/63/428476463.db2.gz XLDGJWYHQBTWCG-UXLLHSPISA-N 2 1 303.450 2.751 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@H]2CCSC2)cc1F ZINC000414968800 428477164 /nfs/dbraw/zinc/47/71/64/428477164.db2.gz YLGIMYSDIDCECD-FFSVYQOJSA-N 2 1 312.429 2.753 20 0 DFADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000414977624 428477720 /nfs/dbraw/zinc/47/77/20/428477720.db2.gz QOCONQFYYXPOEU-QZTJIDSGSA-N 2 1 323.912 2.790 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1F ZINC000391142008 428478459 /nfs/dbraw/zinc/47/84/59/428478459.db2.gz SIPOOOZTSWAMGL-ZBFHGGJFSA-N 2 1 319.424 2.618 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000414969845 428478739 /nfs/dbraw/zinc/47/87/39/428478739.db2.gz JRHPCGQBTOPGIG-QGZVFWFLSA-N 2 1 316.424 2.548 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000390916684 428479128 /nfs/dbraw/zinc/47/91/28/428479128.db2.gz FTRPCCBIHKINOB-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000390916684 428479132 /nfs/dbraw/zinc/47/91/32/428479132.db2.gz FTRPCCBIHKINOB-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000347445237 428581982 /nfs/dbraw/zinc/58/19/82/428581982.db2.gz JQOUEABMXKTRFL-HOTGVXAUSA-N 2 1 301.434 2.678 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](C[C@H](C)c1ccccc1)[C@@H](C)CO ZINC000347445237 428581986 /nfs/dbraw/zinc/58/19/86/428581986.db2.gz JQOUEABMXKTRFL-HOTGVXAUSA-N 2 1 301.434 2.678 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609176 428582238 /nfs/dbraw/zinc/58/22/38/428582238.db2.gz IOMKIECQUSUQSY-WMZOPIPTSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609176 428582240 /nfs/dbraw/zinc/58/22/40/428582240.db2.gz IOMKIECQUSUQSY-WMZOPIPTSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609176 428582242 /nfs/dbraw/zinc/58/22/42/428582242.db2.gz IOMKIECQUSUQSY-WMZOPIPTSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609176 428582246 /nfs/dbraw/zinc/58/22/46/428582246.db2.gz IOMKIECQUSUQSY-WMZOPIPTSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609176 428582247 /nfs/dbraw/zinc/58/22/47/428582247.db2.gz IOMKIECQUSUQSY-WMZOPIPTSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609173 428583372 /nfs/dbraw/zinc/58/33/72/428583372.db2.gz IOMKIECQUSUQSY-AEFFLSMTSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609173 428583376 /nfs/dbraw/zinc/58/33/76/428583376.db2.gz IOMKIECQUSUQSY-AEFFLSMTSA-N 2 1 310.482 2.521 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609173 428583383 /nfs/dbraw/zinc/58/33/83/428583383.db2.gz IOMKIECQUSUQSY-AEFFLSMTSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609173 428583386 /nfs/dbraw/zinc/58/33/86/428583386.db2.gz IOMKIECQUSUQSY-AEFFLSMTSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC(C)(C)O[C@@]2(CCCOC2)C1 ZINC000361609173 428583393 /nfs/dbraw/zinc/58/33/93/428583393.db2.gz IOMKIECQUSUQSY-AEFFLSMTSA-N 2 1 310.482 2.521 20 0 DFADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@H+](C)C[C@H]3C)CC2)CC1 ZINC000358249986 428590856 /nfs/dbraw/zinc/59/08/56/428590856.db2.gz KOILYRAPPAHLRE-UGXKVIGPSA-N 3 1 307.526 2.959 20 0 DFADMP CC1CC[NH+](C2CCC([NH2+][C@H]3CC[N@@H+](C)C[C@H]3C)CC2)CC1 ZINC000358249986 428590862 /nfs/dbraw/zinc/59/08/62/428590862.db2.gz KOILYRAPPAHLRE-UGXKVIGPSA-N 3 1 307.526 2.959 20 0 DFADMP [NH3+]C1(CNCc2ccsc2)CC[NH+](Cc2ccccc2)CC1 ZINC000415133161 428532469 /nfs/dbraw/zinc/53/24/69/428532469.db2.gz MOZODQKNCJLHGA-UHFFFAOYSA-N 2 1 315.486 2.831 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428532972 /nfs/dbraw/zinc/53/29/72/428532972.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 2 1 313.489 2.723 20 0 DFADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428532979 /nfs/dbraw/zinc/53/29/79/428532979.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 2 1 313.489 2.723 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428532985 /nfs/dbraw/zinc/53/29/85/428532985.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428532991 /nfs/dbraw/zinc/53/29/91/428532991.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353432879 428532996 /nfs/dbraw/zinc/53/29/96/428532996.db2.gz DAUUGWIXTHOOLE-YSTOQKLRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]1 ZINC000399063193 428534164 /nfs/dbraw/zinc/53/41/64/428534164.db2.gz ZPIJLMAAJAMMDS-XAOHYQHJSA-N 2 1 313.489 2.912 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000361081618 428536031 /nfs/dbraw/zinc/53/60/31/428536031.db2.gz MXCFRAKRWAPHKY-QGZVFWFLSA-N 2 1 300.406 2.575 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353439348 428537046 /nfs/dbraw/zinc/53/70/46/428537046.db2.gz WRSLWCZLDRNOTQ-AABGKKOBSA-N 2 1 324.472 2.894 20 0 DFADMP c1oc2ccccc2c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415145282 428538188 /nfs/dbraw/zinc/53/81/88/428538188.db2.gz WRMSEXOHCJMXJT-SJORKVTESA-N 2 1 312.413 2.633 20 0 DFADMP C[C@@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccc(F)cc1 ZINC000415140879 428538261 /nfs/dbraw/zinc/53/82/61/428538261.db2.gz NWRSWQMIWREHEO-QGTPRVQTSA-N 2 1 318.436 2.630 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCSCC2)cc1 ZINC000399601868 428540146 /nfs/dbraw/zinc/54/01/46/428540146.db2.gz CMNXXIVPPCCBCU-BYICEURKSA-N 2 1 302.487 2.992 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C2CCSCC2)cc1 ZINC000399601868 428540153 /nfs/dbraw/zinc/54/01/53/428540153.db2.gz CMNXXIVPPCCBCU-BYICEURKSA-N 2 1 302.487 2.992 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451536 428542698 /nfs/dbraw/zinc/54/26/98/428542698.db2.gz AGXSRLSDUHYKGL-NMLBUPMWSA-N 2 1 315.505 2.622 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451536 428542705 /nfs/dbraw/zinc/54/27/05/428542705.db2.gz AGXSRLSDUHYKGL-NMLBUPMWSA-N 2 1 315.505 2.622 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451536 428542711 /nfs/dbraw/zinc/54/27/11/428542711.db2.gz AGXSRLSDUHYKGL-NMLBUPMWSA-N 2 1 315.505 2.622 20 0 DFADMP C[C@@H](NCC1([N@@H+](C)Cc2ccccc2)CCC1)[C@H]1CCC[NH2+]1 ZINC000400514517 428547224 /nfs/dbraw/zinc/54/72/24/428547224.db2.gz GCIRKPNSHMPPIB-SJLPKXTDSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400757437 428548974 /nfs/dbraw/zinc/54/89/74/428548974.db2.gz XIIYKCRLCURUST-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400757437 428548978 /nfs/dbraw/zinc/54/89/78/428548978.db2.gz XIIYKCRLCURUST-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353465348 428552095 /nfs/dbraw/zinc/55/20/95/428552095.db2.gz SRQAWCXYPUCVRJ-RHQZKXFESA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353465348 428552101 /nfs/dbraw/zinc/55/21/01/428552101.db2.gz SRQAWCXYPUCVRJ-RHQZKXFESA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353465348 428552108 /nfs/dbraw/zinc/55/21/08/428552108.db2.gz SRQAWCXYPUCVRJ-RHQZKXFESA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353465348 428552112 /nfs/dbraw/zinc/55/21/12/428552112.db2.gz SRQAWCXYPUCVRJ-RHQZKXFESA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353465348 428552115 /nfs/dbraw/zinc/55/21/15/428552115.db2.gz SRQAWCXYPUCVRJ-RHQZKXFESA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353465348 428552121 /nfs/dbraw/zinc/55/21/21/428552121.db2.gz SRQAWCXYPUCVRJ-RHQZKXFESA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353465348 428552127 /nfs/dbraw/zinc/55/21/27/428552127.db2.gz SRQAWCXYPUCVRJ-RHQZKXFESA-N 3 1 307.526 2.817 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H](N)c2ccccc2)C1 ZINC000353475950 428553839 /nfs/dbraw/zinc/55/38/39/428553839.db2.gz YECJUSSOFNBDHU-ATZDWAIDSA-N 2 1 323.440 2.638 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353475950 428553849 /nfs/dbraw/zinc/55/38/49/428553849.db2.gz YECJUSSOFNBDHU-ATZDWAIDSA-N 2 1 323.440 2.638 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000358299639 428594201 /nfs/dbraw/zinc/59/42/01/428594201.db2.gz OGWAMJMLIQKHFR-SLTXQBBLSA-N 2 1 310.482 2.817 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000358299639 428594204 /nfs/dbraw/zinc/59/42/04/428594204.db2.gz OGWAMJMLIQKHFR-SLTXQBBLSA-N 2 1 310.482 2.817 20 0 DFADMP CC[N@@H+]1CCC[C@H]1CN(C)c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000353479160 428557279 /nfs/dbraw/zinc/55/72/79/428557279.db2.gz QSZQCMZMDNUDPS-AWEZNQCLSA-N 2 1 305.470 2.587 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)c1cc(C(C)C)[nH+]c(N(C)C)n1 ZINC000353479160 428557284 /nfs/dbraw/zinc/55/72/84/428557284.db2.gz QSZQCMZMDNUDPS-AWEZNQCLSA-N 2 1 305.470 2.587 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361365110 428559032 /nfs/dbraw/zinc/55/90/32/428559032.db2.gz ILBFNTCQHZLOFN-YQVWRLOYSA-N 2 1 320.477 2.681 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361365110 428559039 /nfs/dbraw/zinc/55/90/39/428559039.db2.gz ILBFNTCQHZLOFN-YQVWRLOYSA-N 2 1 320.477 2.681 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)[C@H]2CCC[C@@H]21 ZINC000353501039 428566808 /nfs/dbraw/zinc/56/68/08/428566808.db2.gz HQHBDYYSQVWNPJ-IKGGRYGDSA-N 2 1 319.518 2.569 20 0 DFADMP CC[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccccc1 ZINC000353503320 428567796 /nfs/dbraw/zinc/56/77/96/428567796.db2.gz IGOWALFMUMIGJV-QGZVFWFLSA-N 2 1 304.478 2.959 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404398774 428568101 /nfs/dbraw/zinc/56/81/01/428568101.db2.gz QBKXFLBRISRFQU-CVEARBPZSA-N 2 1 306.450 2.913 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1C ZINC000404403964 428570146 /nfs/dbraw/zinc/57/01/46/428570146.db2.gz TUPWRBRAXORZHA-YOEHRIQHSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1C ZINC000404403964 428570151 /nfs/dbraw/zinc/57/01/51/428570151.db2.gz TUPWRBRAXORZHA-YOEHRIQHSA-N 2 1 303.450 2.691 20 0 DFADMP C[C@H]1CCC[N@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@@H]1CC[NH3+] ZINC000404356159 428570172 /nfs/dbraw/zinc/57/01/72/428570172.db2.gz LOXDLCXFWZHNSK-KBXCAEBGSA-N 2 1 315.461 2.563 20 0 DFADMP C[C@H]1CCC[N@@H+](CC(=O)Nc2ccc3c(c2)CCC3)[C@@H]1CC[NH3+] ZINC000404356159 428570174 /nfs/dbraw/zinc/57/01/74/428570174.db2.gz LOXDLCXFWZHNSK-KBXCAEBGSA-N 2 1 315.461 2.563 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000361455796 428571201 /nfs/dbraw/zinc/57/12/01/428571201.db2.gz FYRXCOFQWULQPP-NEWSRXKRSA-N 3 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCn3ccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC000361455796 428571208 /nfs/dbraw/zinc/57/12/08/428571208.db2.gz FYRXCOFQWULQPP-NEWSRXKRSA-N 3 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000361455799 428571458 /nfs/dbraw/zinc/57/14/58/428571458.db2.gz FYRXCOFQWULQPP-QRQLOZEOSA-N 3 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCn3ccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC000361455799 428571463 /nfs/dbraw/zinc/57/14/63/428571463.db2.gz FYRXCOFQWULQPP-QRQLOZEOSA-N 3 1 324.472 2.841 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353515266 428571832 /nfs/dbraw/zinc/57/18/32/428571832.db2.gz DGNLMMDKTKEXMB-YDZRNGNQSA-N 2 1 305.510 2.713 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]2CCC[C@H]21 ZINC000353515266 428571838 /nfs/dbraw/zinc/57/18/38/428571838.db2.gz DGNLMMDKTKEXMB-YDZRNGNQSA-N 2 1 305.510 2.713 20 0 DFADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353514226 428572704 /nfs/dbraw/zinc/57/27/04/428572704.db2.gz BUDRJFKUCWOIJU-FHWLQOOXSA-N 3 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353514226 428572711 /nfs/dbraw/zinc/57/27/11/428572711.db2.gz BUDRJFKUCWOIJU-FHWLQOOXSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000358009120 428574622 /nfs/dbraw/zinc/57/46/22/428574622.db2.gz BPPMQLIUWKRFJI-QFBILLFUSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000405216418 428576396 /nfs/dbraw/zinc/57/63/96/428576396.db2.gz KGRJPTOSJOTTGW-VQIMIIECSA-N 2 1 312.461 2.881 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC[C@H]2CCF)CC[N@H+](Cc2ccccc2)C1 ZINC000353521383 428576399 /nfs/dbraw/zinc/57/63/99/428576399.db2.gz RMOHZPWMORYHMG-FHWLQOOXSA-N 2 1 320.452 2.741 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC[C@H]2CCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000353521383 428576401 /nfs/dbraw/zinc/57/64/01/428576401.db2.gz RMOHZPWMORYHMG-FHWLQOOXSA-N 2 1 320.452 2.741 20 0 DFADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC2 ZINC000358020992 428576606 /nfs/dbraw/zinc/57/66/06/428576606.db2.gz SNJKFADDLCNPPB-TXCZRRACSA-N 2 1 304.482 2.640 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](C[C@@H](O)CCc2ccccc2)C1 ZINC000347436926 428576951 /nfs/dbraw/zinc/57/69/51/428576951.db2.gz KNQXOJPCJVLYGI-UXHICEINSA-N 2 1 316.489 2.644 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000347436926 428576955 /nfs/dbraw/zinc/57/69/55/428576955.db2.gz KNQXOJPCJVLYGI-UXHICEINSA-N 2 1 316.489 2.644 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000347436926 428576958 /nfs/dbraw/zinc/57/69/58/428576958.db2.gz KNQXOJPCJVLYGI-UXHICEINSA-N 2 1 316.489 2.644 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@H]2C(C)C)C1 ZINC000353526707 428579391 /nfs/dbraw/zinc/57/93/91/428579391.db2.gz RZYLJACTGVPNTB-IKGGRYGDSA-N 2 1 323.525 2.637 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000347438976 428579689 /nfs/dbraw/zinc/57/96/89/428579689.db2.gz WBKNVJSDBVQVCW-MRXNPFEDSA-N 2 1 307.825 2.948 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC2)n1 ZINC000353567386 428597778 /nfs/dbraw/zinc/59/77/78/428597778.db2.gz NVANYIOFWCQRSF-ZDUSSCGKSA-N 2 1 310.511 2.739 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC2)n1 ZINC000353567386 428597783 /nfs/dbraw/zinc/59/77/83/428597783.db2.gz NVANYIOFWCQRSF-ZDUSSCGKSA-N 2 1 310.511 2.739 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c(c2)C[NH2+]C3)C1 ZINC000347531639 428599527 /nfs/dbraw/zinc/59/95/27/428599527.db2.gz OIFPOPJSFGQHIX-HNNXBMFYSA-N 2 1 315.461 2.532 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000415896631 428620152 /nfs/dbraw/zinc/62/01/52/428620152.db2.gz DRGFRAFZMOYBOV-HUUCEWRRSA-N 2 1 318.465 2.790 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000415907123 428621957 /nfs/dbraw/zinc/62/19/57/428621957.db2.gz MODOEPYQSURERY-PBHICJAKSA-N 2 1 318.465 2.743 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000415908493 428621979 /nfs/dbraw/zinc/62/19/79/428621979.db2.gz PQXDELFCXQDRMX-WMLDXEAASA-N 2 1 318.465 2.646 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCc2ccc(C)nc2)CCN1CC(F)F ZINC000353615878 428622612 /nfs/dbraw/zinc/62/26/12/428622612.db2.gz MMEFDCJZTXDNAN-MRXNPFEDSA-N 2 1 311.420 2.984 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415908617 428623024 /nfs/dbraw/zinc/62/30/24/428623024.db2.gz DNWMTLXOQOQLEW-INIZCTEOSA-N 2 1 318.465 2.792 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000415913892 428623803 /nfs/dbraw/zinc/62/38/03/428623803.db2.gz SCZCTNIZOKCAHV-MQVJKMGUSA-N 2 1 316.449 2.543 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)[C@H](C)C1 ZINC000415912462 428624816 /nfs/dbraw/zinc/62/48/16/428624816.db2.gz LITAQHJJXJLUJN-RHSMWYFYSA-N 2 1 318.465 2.600 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]CCCc1ccc3c(c1)CCO3)CC2 ZINC000373642211 428626194 /nfs/dbraw/zinc/62/61/94/428626194.db2.gz DGWLJGDADBPLTC-MRXNPFEDSA-N 2 1 311.429 2.603 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000415925263 428628057 /nfs/dbraw/zinc/62/80/57/428628057.db2.gz XJRIMGCPDIGJJN-AWEZNQCLSA-N 2 1 316.449 2.568 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000415937661 428630538 /nfs/dbraw/zinc/63/05/38/428630538.db2.gz YWINBTAGIOHQTP-MQVJKMGUSA-N 2 1 316.449 2.543 20 0 DFADMP COCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353639742 428633202 /nfs/dbraw/zinc/63/32/02/428633202.db2.gz FCVZUCXAAINTSA-BHIYHBOVSA-N 2 1 320.477 2.681 20 0 DFADMP COCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353639742 428633207 /nfs/dbraw/zinc/63/32/07/428633207.db2.gz FCVZUCXAAINTSA-BHIYHBOVSA-N 2 1 320.477 2.681 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000358352453 428595860 /nfs/dbraw/zinc/59/58/60/428595860.db2.gz JGDZVLGVFVVAFT-DFEHZGFQSA-N 2 1 315.461 2.803 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415968022 428638164 /nfs/dbraw/zinc/63/81/64/428638164.db2.gz CAIRREJSNYVRGB-OKILXGFUSA-N 2 1 304.438 2.530 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415969313 428638481 /nfs/dbraw/zinc/63/84/81/428638481.db2.gz FVBAIXCBSJWJAD-GJZGRUSLSA-N 2 1 318.465 2.648 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000415965028 428638704 /nfs/dbraw/zinc/63/87/04/428638704.db2.gz XTASWUGMLMZVLH-MSOLQXFVSA-N 2 1 324.428 2.712 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415975513 428639789 /nfs/dbraw/zinc/63/97/89/428639789.db2.gz UCBSREDIQLFIHY-QGZVFWFLSA-N 2 1 318.465 2.792 20 0 DFADMP COCC[C@H](COC)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353642425 428635249 /nfs/dbraw/zinc/63/52/49/428635249.db2.gz LMRBAWNAFDSOHJ-NZSAHSFTSA-N 2 1 320.477 2.538 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CCO2 ZINC000353680451 274138016 /nfs/dbraw/zinc/13/80/16/274138016.db2.gz JTEUCXXDNVCZRE-HPBDAGMYSA-N 2 1 316.445 2.981 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@H]2CCC[NH2+][C@@H]2C1 ZINC000353673980 428652476 /nfs/dbraw/zinc/65/24/76/428652476.db2.gz QMMCEJWYGXXZIL-RTBURBONSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccnn1-c1ccccc1 ZINC000376133127 274250836 /nfs/dbraw/zinc/25/08/36/274250836.db2.gz MRSOHBPKKVUWCP-HZPDHXFCSA-N 2 1 321.428 2.982 20 0 DFADMP C[C@@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716322 274260107 /nfs/dbraw/zinc/26/01/07/274260107.db2.gz HMFHDOJPXZBETO-NVRFMJDISA-N 2 1 314.473 2.887 20 0 DFADMP CC[N@H+]1CCC[C@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416146432 428676413 /nfs/dbraw/zinc/67/64/13/428676413.db2.gz UTVZSYBHESTXBS-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)[N@@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416130396 428673528 /nfs/dbraw/zinc/67/35/28/428673528.db2.gz IRBYRBXABULZQG-KRWDZBQOSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000358776381 274394502 /nfs/dbraw/zinc/39/45/02/274394502.db2.gz PZLHKIBEEOREOH-MNEFBYGVSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@H+]1Cc1ccccc1 ZINC000358776381 274394506 /nfs/dbraw/zinc/39/45/06/274394506.db2.gz PZLHKIBEEOREOH-MNEFBYGVSA-N 2 1 324.472 2.910 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000353755394 428700120 /nfs/dbraw/zinc/70/01/20/428700120.db2.gz ROZQTHMWRAUNCK-SWLSCSKDSA-N 2 1 301.438 2.571 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000353755394 428700123 /nfs/dbraw/zinc/70/01/23/428700123.db2.gz ROZQTHMWRAUNCK-SWLSCSKDSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000353755394 428700127 /nfs/dbraw/zinc/70/01/27/428700127.db2.gz ROZQTHMWRAUNCK-SWLSCSKDSA-N 2 1 301.438 2.571 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cnc3n[nH]c(C)c3c2)C[C@@H]1C ZINC000353755394 428700129 /nfs/dbraw/zinc/70/01/29/428700129.db2.gz ROZQTHMWRAUNCK-SWLSCSKDSA-N 2 1 301.438 2.571 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000353762707 428701650 /nfs/dbraw/zinc/70/16/50/428701650.db2.gz SDJLYBWVSYXGKP-OAHLLOKOSA-N 2 1 318.465 2.532 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1c[nH+]ccc1N(C)C ZINC000353762707 428701655 /nfs/dbraw/zinc/70/16/55/428701655.db2.gz SDJLYBWVSYXGKP-OAHLLOKOSA-N 2 1 318.465 2.532 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353764411 428703477 /nfs/dbraw/zinc/70/34/77/428703477.db2.gz XYBRFDRVFUMHQM-ROUUACIJSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)c(OC)co1 ZINC000348317365 428705013 /nfs/dbraw/zinc/70/50/13/428705013.db2.gz IGNALVRNRBHVHK-GDBMZVCRSA-N 2 1 322.449 2.639 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(=O)c(OC)co1 ZINC000348317368 428705051 /nfs/dbraw/zinc/70/50/51/428705051.db2.gz IGNALVRNRBHVHK-GOEBONIOSA-N 2 1 322.449 2.639 20 0 DFADMP C[C@H]1C[NH+](CCOC2CC[NH+](CC3CCCC3)CC2)C[C@H](C)O1 ZINC000358872753 428713380 /nfs/dbraw/zinc/71/33/80/428713380.db2.gz MXTXGCALBHOSIQ-IRXDYDNUSA-N 2 1 324.509 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000374677054 428727276 /nfs/dbraw/zinc/72/72/76/428727276.db2.gz IMEOGZDRIYXUNE-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000348385934 428728507 /nfs/dbraw/zinc/72/85/07/428728507.db2.gz WWVDWFRIFPKNHE-LZQZEXGQSA-N 2 1 302.462 2.922 20 0 DFADMP Cc1c[nH+]ccc1NC[C@@H]1CSCC[N@H+]1Cc1ccccc1 ZINC000358916894 428729152 /nfs/dbraw/zinc/72/91/52/428729152.db2.gz UIIOBICOMZLURW-QGZVFWFLSA-N 2 1 313.470 2.841 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCSC2)[C@@H](C)C1 ZINC000348249788 428679650 /nfs/dbraw/zinc/67/96/50/428679650.db2.gz ZGWFPMMFJLOEFA-ULQDDVLXSA-N 2 1 314.539 2.856 20 0 DFADMP COc1cc(C[NH2+]CC2(C[NH+](C)C)CCCC2)cc(OC)c1O ZINC000348261175 428681329 /nfs/dbraw/zinc/68/13/29/428681329.db2.gz LIAMVGXGUUDQSE-UHFFFAOYSA-N 2 1 322.449 2.621 20 0 DFADMP CCCCNC(=O)C1([NH2+]CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000348257338 428681630 /nfs/dbraw/zinc/68/16/30/428681630.db2.gz RNYAJELVCCEXEW-MRXNPFEDSA-N 2 1 309.498 2.680 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2cccnc2s1 ZINC000348260631 428682336 /nfs/dbraw/zinc/68/23/36/428682336.db2.gz CTXQWZLARLDLCJ-UHFFFAOYSA-N 2 1 301.419 2.718 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2cccnc2s1 ZINC000348260631 428682339 /nfs/dbraw/zinc/68/23/39/428682339.db2.gz CTXQWZLARLDLCJ-UHFFFAOYSA-N 2 1 301.419 2.718 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416188341 428686247 /nfs/dbraw/zinc/68/62/47/428686247.db2.gz GYKWCVAPISKYBN-NJAFHUGGSA-N 2 1 317.477 2.524 20 0 DFADMP CC(C)C[N@@H+](C)[C@H](C)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000348272163 428687650 /nfs/dbraw/zinc/68/76/50/428687650.db2.gz QDOJGJSWHMOWON-CYBMUJFWSA-N 2 1 300.406 2.992 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275501 428688584 /nfs/dbraw/zinc/68/85/84/428688584.db2.gz CIPGQIGWLHFEFE-YJBOKZPZSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275501 428688590 /nfs/dbraw/zinc/68/85/90/428688590.db2.gz CIPGQIGWLHFEFE-YJBOKZPZSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275501 428688594 /nfs/dbraw/zinc/68/85/94/428688594.db2.gz CIPGQIGWLHFEFE-YJBOKZPZSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275501 428688600 /nfs/dbraw/zinc/68/86/00/428688600.db2.gz CIPGQIGWLHFEFE-YJBOKZPZSA-N 2 1 313.449 2.792 20 0 DFADMP c1ccc(CN2CCC[C@@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000348277639 428689542 /nfs/dbraw/zinc/68/95/42/428689542.db2.gz SWXNBBHTYNJYPP-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000348277639 428689547 /nfs/dbraw/zinc/68/95/47/428689547.db2.gz SWXNBBHTYNJYPP-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+]([C@@H]4CCOC4)C3)C2)cc1 ZINC000348277639 428689565 /nfs/dbraw/zinc/68/95/65/428689565.db2.gz SWXNBBHTYNJYPP-RTBURBONSA-N 2 1 300.446 2.763 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201493 428690136 /nfs/dbraw/zinc/69/01/36/428690136.db2.gz GEPORBPTIOULJP-ROUUACIJSA-N 2 1 317.477 2.668 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000344691571 428693746 /nfs/dbraw/zinc/69/37/46/428693746.db2.gz ZCVBNEXUPUJPEI-HIFRSBDPSA-N 2 1 322.449 2.675 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000344691571 428693747 /nfs/dbraw/zinc/69/37/47/428693747.db2.gz ZCVBNEXUPUJPEI-HIFRSBDPSA-N 2 1 322.449 2.675 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749362 428693787 /nfs/dbraw/zinc/69/37/87/428693787.db2.gz FUWMLXKNFUNXAN-GOEBONIOSA-N 2 1 300.450 2.805 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749362 428693789 /nfs/dbraw/zinc/69/37/89/428693789.db2.gz FUWMLXKNFUNXAN-GOEBONIOSA-N 2 1 300.450 2.805 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749362 428693792 /nfs/dbraw/zinc/69/37/92/428693792.db2.gz FUWMLXKNFUNXAN-GOEBONIOSA-N 2 1 300.450 2.805 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749362 428693796 /nfs/dbraw/zinc/69/37/96/428693796.db2.gz FUWMLXKNFUNXAN-GOEBONIOSA-N 2 1 300.450 2.805 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749362 428693798 /nfs/dbraw/zinc/69/37/98/428693798.db2.gz FUWMLXKNFUNXAN-GOEBONIOSA-N 2 1 300.450 2.805 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416232673 428695133 /nfs/dbraw/zinc/69/51/33/428695133.db2.gz GLKOECDYALDUEP-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416232390 428695172 /nfs/dbraw/zinc/69/51/72/428695172.db2.gz FOAJIJHLEJJFCX-NVXWUHKLSA-N 2 1 305.466 2.524 20 0 DFADMP CSC1(C[N@@H+](C)C[C@H]2CCCN(C)[C@@H]2c2ccnn2C)CC1 ZINC000348489873 428758888 /nfs/dbraw/zinc/75/88/88/428758888.db2.gz HFLRKUHGBMXYSH-ZBFHGGJFSA-N 2 1 322.522 2.630 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OC(F)(F)F)c2)CC1 ZINC000345134138 428766465 /nfs/dbraw/zinc/76/64/65/428766465.db2.gz BTTFHYLHTUKHIO-UHFFFAOYSA-N 2 1 300.324 2.937 20 0 DFADMP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[N@H+]2CCC[C@H]2C1 ZINC000411256250 428767453 /nfs/dbraw/zinc/76/74/53/428767453.db2.gz KSXHGUQMXBINFM-FQEVSTJZSA-N 2 1 313.489 2.953 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H](CC)[NH+]2CCCC2)CC1 ZINC000353930210 428782251 /nfs/dbraw/zinc/78/22/51/428782251.db2.gz FXGMTNDFAVYZEO-PQUAAJSLSA-N 2 1 310.482 2.962 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@@H]1C ZINC000353934844 428784426 /nfs/dbraw/zinc/78/44/26/428784426.db2.gz YOZOQGHNYIHICC-WKULXVSPSA-N 2 1 324.509 2.922 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000353945228 428788126 /nfs/dbraw/zinc/78/81/26/428788126.db2.gz OTDBQOFGLUFPPL-NXVRBGIVSA-N 2 1 321.465 2.929 20 0 DFADMP Cc1nc(CO[C@H]2CC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)cs1 ZINC000374933080 428788546 /nfs/dbraw/zinc/78/85/46/428788546.db2.gz URBAJZCMBOESJF-SJORKVTESA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)cs1 ZINC000374933080 428788550 /nfs/dbraw/zinc/78/85/50/428788550.db2.gz URBAJZCMBOESJF-SJORKVTESA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)cs1 ZINC000374933080 428788554 /nfs/dbraw/zinc/78/85/54/428788554.db2.gz URBAJZCMBOESJF-SJORKVTESA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)cs1 ZINC000374933080 428788557 /nfs/dbraw/zinc/78/85/57/428788557.db2.gz URBAJZCMBOESJF-SJORKVTESA-N 2 1 323.506 2.917 20 0 DFADMP CC[N@H+](CC(=O)NCCCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000345187905 428791229 /nfs/dbraw/zinc/79/12/29/428791229.db2.gz IYQOYTCHHSCWAF-GOSISDBHSA-N 2 1 323.525 2.927 20 0 DFADMP CC[N@@H+](CC(=O)NCCCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000345187905 428791234 /nfs/dbraw/zinc/79/12/34/428791234.db2.gz IYQOYTCHHSCWAF-GOSISDBHSA-N 2 1 323.525 2.927 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1OC ZINC000348428260 428742396 /nfs/dbraw/zinc/74/23/96/428742396.db2.gz YKTJVKOCGWHOOW-INIZCTEOSA-N 2 1 306.450 2.928 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c(C)c1OC ZINC000348428260 428742402 /nfs/dbraw/zinc/74/24/02/428742402.db2.gz YKTJVKOCGWHOOW-INIZCTEOSA-N 2 1 306.450 2.928 20 0 DFADMP OC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000353851114 428747647 /nfs/dbraw/zinc/74/76/47/428747647.db2.gz PFITWCBBPHQDJS-XUBOLADHSA-N 2 1 314.473 2.790 20 0 DFADMP COc1ncc([C@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000375302055 428849734 /nfs/dbraw/zinc/84/97/34/428849734.db2.gz JMOSNRFAQXFTTL-RYUDHWBXSA-N 2 1 320.824 2.853 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2c(F)cccc2F)C1 ZINC000354078606 428850670 /nfs/dbraw/zinc/85/06/70/428850670.db2.gz VGMYQYUHCBUXTK-CQSZACIVSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(F)cccc2F)C1 ZINC000354078606 428850674 /nfs/dbraw/zinc/85/06/74/428850674.db2.gz VGMYQYUHCBUXTK-CQSZACIVSA-N 2 1 312.404 2.898 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411427067 428796105 /nfs/dbraw/zinc/79/61/05/428796105.db2.gz QDDSUACYWZKIRE-MOPGFXCFSA-N 2 1 302.462 2.875 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362646447 428796950 /nfs/dbraw/zinc/79/69/50/428796950.db2.gz KPBHFNOFZDZPFP-ZWKOTPCHSA-N 2 1 323.525 2.591 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411427069 428797885 /nfs/dbraw/zinc/79/78/85/428797885.db2.gz QDDSUACYWZKIRE-OALUTQOASA-N 2 1 302.462 2.875 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411456182 428798886 /nfs/dbraw/zinc/79/88/86/428798886.db2.gz YWZMTACGGRYDPS-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)CCc2cncs2)[C@@H]1c1cccnc1 ZINC000411585431 428819766 /nfs/dbraw/zinc/81/97/66/428819766.db2.gz SQFRGGGBCZGRIW-RDJZCZTQSA-N 2 1 316.474 2.705 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC000345263256 428821478 /nfs/dbraw/zinc/82/14/78/428821478.db2.gz NIZIWIYLAKAMEQ-JKSUJKDBSA-N 2 1 320.481 2.729 20 0 DFADMP Cc1[nH+]ccn1CCCN1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000348755440 428825753 /nfs/dbraw/zinc/82/57/53/428825753.db2.gz HPHIOOAFSZFUKP-QGZVFWFLSA-N 2 1 318.852 2.882 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCSC[C@H]1c1nccs1 ZINC000375229716 428827356 /nfs/dbraw/zinc/82/73/56/428827356.db2.gz PAHFDQVGLAOMQU-ZDUSSCGKSA-N 2 1 308.476 2.828 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000411633683 428828705 /nfs/dbraw/zinc/82/87/05/428828705.db2.gz SWBGZHIKZBPTAM-INIZCTEOSA-N 2 1 320.481 2.559 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)N1CCCCC1 ZINC000411633683 428828710 /nfs/dbraw/zinc/82/87/10/428828710.db2.gz SWBGZHIKZBPTAM-INIZCTEOSA-N 2 1 320.481 2.559 20 0 DFADMP C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411655610 428833169 /nfs/dbraw/zinc/83/31/69/428833169.db2.gz LNPOOMQATMIUSQ-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2sccc2OC)C1 ZINC000354087417 428855328 /nfs/dbraw/zinc/85/53/28/428855328.db2.gz ADJGZJPGJQELKY-CQSZACIVSA-N 2 1 312.479 2.689 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000354089363 428855850 /nfs/dbraw/zinc/85/58/50/428855850.db2.gz YNJPUZPMWXUJBP-INIZCTEOSA-N 2 1 324.440 2.767 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3c(cccc3C)n2)C[C@H]1C ZINC000354202027 428910873 /nfs/dbraw/zinc/91/08/73/428910873.db2.gz CZSGVNWXBQERBK-NVXWUHKLSA-N 2 1 300.450 2.947 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCN(Cc3nccn3C)CC2)C1 ZINC000363109091 428859851 /nfs/dbraw/zinc/85/98/51/428859851.db2.gz XXDHASNOCVKXAW-SJORKVTESA-N 2 1 304.482 2.754 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1nc2ccccc2c(=O)[nH]1 ZINC000359191040 428860315 /nfs/dbraw/zinc/86/03/15/428860315.db2.gz OCYBPMLFYPCTMF-UHFFFAOYSA-N 2 1 314.433 2.547 20 0 DFADMP COCc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000354099432 428861647 /nfs/dbraw/zinc/86/16/47/428861647.db2.gz DPJADJIXSJPFLA-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP COCc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000354099432 428861652 /nfs/dbraw/zinc/86/16/52/428861652.db2.gz DPJADJIXSJPFLA-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP COCc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000354099432 428861656 /nfs/dbraw/zinc/86/16/56/428861656.db2.gz DPJADJIXSJPFLA-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP COCc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000354099432 428861662 /nfs/dbraw/zinc/86/16/62/428861662.db2.gz DPJADJIXSJPFLA-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP CCOC(=O)c1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)o1 ZINC000354101258 428863860 /nfs/dbraw/zinc/86/38/60/428863860.db2.gz RMNKNCREUCYRNF-OAHLLOKOSA-N 2 1 320.433 2.620 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2OC)C1 ZINC000354106962 428865598 /nfs/dbraw/zinc/86/55/98/428865598.db2.gz NCHJQGOXDKWRRN-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)n1 ZINC000359232501 428880657 /nfs/dbraw/zinc/88/06/57/428880657.db2.gz VPAARCOHQUXSFV-KRWDZBQOSA-N 2 1 317.477 2.871 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C)n1 ZINC000359232501 428880661 /nfs/dbraw/zinc/88/06/61/428880661.db2.gz VPAARCOHQUXSFV-KRWDZBQOSA-N 2 1 317.477 2.871 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C)n1 ZINC000359232501 428880665 /nfs/dbraw/zinc/88/06/65/428880665.db2.gz VPAARCOHQUXSFV-KRWDZBQOSA-N 2 1 317.477 2.871 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C)n1 ZINC000359232501 428880668 /nfs/dbraw/zinc/88/06/68/428880668.db2.gz VPAARCOHQUXSFV-KRWDZBQOSA-N 2 1 317.477 2.871 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1O ZINC000375430160 428882385 /nfs/dbraw/zinc/88/23/85/428882385.db2.gz WOADYAKQRJRGKS-HIFRSBDPSA-N 2 1 315.417 2.523 20 0 DFADMP CCN(C)C(=O)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375472386 428894605 /nfs/dbraw/zinc/89/46/05/428894605.db2.gz SZISDJYCQPXDIB-IEBWSBKVSA-N 2 1 317.477 2.528 20 0 DFADMP CN1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165457 428894739 /nfs/dbraw/zinc/89/47/39/428894739.db2.gz GSQCWBQJPCIOEC-KRWDZBQOSA-N 2 1 300.406 2.587 20 0 DFADMP C[N@@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165457 428894743 /nfs/dbraw/zinc/89/47/43/428894743.db2.gz GSQCWBQJPCIOEC-KRWDZBQOSA-N 2 1 300.406 2.587 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165457 428894751 /nfs/dbraw/zinc/89/47/51/428894751.db2.gz GSQCWBQJPCIOEC-KRWDZBQOSA-N 2 1 300.406 2.587 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165457 428894753 /nfs/dbraw/zinc/89/47/53/428894753.db2.gz GSQCWBQJPCIOEC-KRWDZBQOSA-N 2 1 300.406 2.587 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165457 428894759 /nfs/dbraw/zinc/89/47/59/428894759.db2.gz GSQCWBQJPCIOEC-KRWDZBQOSA-N 2 1 300.406 2.587 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354167133 428895373 /nfs/dbraw/zinc/89/53/73/428895373.db2.gz OAHBIHAAAAKAKE-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1OC ZINC000354167133 428895379 /nfs/dbraw/zinc/89/53/79/428895379.db2.gz OAHBIHAAAAKAKE-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1OC ZINC000354167133 428895385 /nfs/dbraw/zinc/89/53/85/428895385.db2.gz OAHBIHAAAAKAKE-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1OC ZINC000354167133 428895388 /nfs/dbraw/zinc/89/53/88/428895388.db2.gz OAHBIHAAAAKAKE-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP CCC[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000363315395 428903790 /nfs/dbraw/zinc/90/37/90/428903790.db2.gz UYRPOQAQQYIXGS-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000363315395 428903794 /nfs/dbraw/zinc/90/37/94/428903794.db2.gz UYRPOQAQQYIXGS-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP CCC[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000363315395 428903802 /nfs/dbraw/zinc/90/38/02/428903802.db2.gz UYRPOQAQQYIXGS-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc3ccccc3n2C)C[C@H]1C ZINC000354204339 428915308 /nfs/dbraw/zinc/91/53/08/428915308.db2.gz FJUQHGYSXACSAQ-CVEARBPZSA-N 2 1 314.477 2.920 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc3ccccc3n2C)C[C@H]1C ZINC000354204339 428915314 /nfs/dbraw/zinc/91/53/14/428915314.db2.gz FJUQHGYSXACSAQ-CVEARBPZSA-N 2 1 314.477 2.920 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc3ccccc3n2C)C[C@H]1C ZINC000354204339 428915318 /nfs/dbraw/zinc/91/53/18/428915318.db2.gz FJUQHGYSXACSAQ-CVEARBPZSA-N 2 1 314.477 2.920 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc3ccccc3n2C)C[C@H]1C ZINC000354204339 428915323 /nfs/dbraw/zinc/91/53/23/428915323.db2.gz FJUQHGYSXACSAQ-CVEARBPZSA-N 2 1 314.477 2.920 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)CCc2nc3ccccc3n2C)C[C@@H]1C ZINC000354204340 428915601 /nfs/dbraw/zinc/91/56/01/428915601.db2.gz FJUQHGYSXACSAQ-HOTGVXAUSA-N 2 1 314.477 2.920 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc3ccccc3n2C)C[C@@H]1C ZINC000354204340 428915606 /nfs/dbraw/zinc/91/56/06/428915606.db2.gz FJUQHGYSXACSAQ-HOTGVXAUSA-N 2 1 314.477 2.920 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc3ccccc3n2C)C[C@@H]1C ZINC000354204340 428915612 /nfs/dbraw/zinc/91/56/12/428915612.db2.gz FJUQHGYSXACSAQ-HOTGVXAUSA-N 2 1 314.477 2.920 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc3ccccc3n2C)C[C@@H]1C ZINC000354204340 428915617 /nfs/dbraw/zinc/91/56/17/428915617.db2.gz FJUQHGYSXACSAQ-HOTGVXAUSA-N 2 1 314.477 2.920 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000363444814 428916192 /nfs/dbraw/zinc/91/61/92/428916192.db2.gz XMIMVBSYBYITJW-HOTGVXAUSA-N 2 1 304.482 2.971 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363444814 428916201 /nfs/dbraw/zinc/91/62/01/428916201.db2.gz XMIMVBSYBYITJW-HOTGVXAUSA-N 2 1 304.482 2.971 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212004 428916202 /nfs/dbraw/zinc/91/62/02/428916202.db2.gz ZBHBPSCQTJEIRJ-DOTOQJQBSA-N 2 1 303.450 2.820 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212004 428916207 /nfs/dbraw/zinc/91/62/07/428916207.db2.gz ZBHBPSCQTJEIRJ-DOTOQJQBSA-N 2 1 303.450 2.820 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2)C[C@@H]1C ZINC000354212004 428916214 /nfs/dbraw/zinc/91/62/14/428916214.db2.gz ZBHBPSCQTJEIRJ-DOTOQJQBSA-N 2 1 303.450 2.820 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1cc(-n2ccnc2)cs1 ZINC000349368226 428971167 /nfs/dbraw/zinc/97/11/67/428971167.db2.gz NPMPLQAMMJIJEN-UHFFFAOYSA-N 2 1 301.419 2.652 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)C1CCCCC1 ZINC000349090360 428919645 /nfs/dbraw/zinc/91/96/45/428919645.db2.gz WEZPGGLOFLEDFD-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000349090360 428919649 /nfs/dbraw/zinc/91/96/49/428919649.db2.gz WEZPGGLOFLEDFD-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000349090360 428919654 /nfs/dbraw/zinc/91/96/54/428919654.db2.gz WEZPGGLOFLEDFD-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000363456580 428920598 /nfs/dbraw/zinc/92/05/98/428920598.db2.gz NMOLSPJGXBGXBG-GOSISDBHSA-N 2 1 314.433 2.658 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000363456580 428920603 /nfs/dbraw/zinc/92/06/03/428920603.db2.gz NMOLSPJGXBGXBG-GOSISDBHSA-N 2 1 314.433 2.658 20 0 DFADMP C[C@H]1CC(C)(C)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000412048085 428922331 /nfs/dbraw/zinc/92/23/31/428922331.db2.gz UAIFTYSJBVNAET-DOTOQJQBSA-N 2 1 317.477 2.526 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375611272 428923897 /nfs/dbraw/zinc/92/38/97/428923897.db2.gz FPNYFQAPYVKZJC-HNNXBMFYSA-N 2 1 301.438 2.663 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375611272 428923903 /nfs/dbraw/zinc/92/39/03/428923903.db2.gz FPNYFQAPYVKZJC-HNNXBMFYSA-N 2 1 301.438 2.663 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2C)C[C@H]1C ZINC000354224015 428926739 /nfs/dbraw/zinc/92/67/39/428926739.db2.gz MSPVORUCIDPYMX-CVEARBPZSA-N 2 1 303.450 2.738 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000354333343 428971609 /nfs/dbraw/zinc/97/16/09/428971609.db2.gz UETRBJZXVZQTNJ-IXDOHACOSA-N 2 1 309.498 2.627 20 0 DFADMP Fc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1Br ZINC000363544524 428937199 /nfs/dbraw/zinc/93/71/99/428937199.db2.gz KOLAUSFVLWKBJE-LLVKDONJSA-N 2 1 324.197 2.889 20 0 DFADMP Cc1cc([C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)C2CC2)ccc1F ZINC000359376088 428945515 /nfs/dbraw/zinc/94/55/15/428945515.db2.gz UCJNQIDNTGTPIT-WMZOPIPTSA-N 2 1 306.425 2.632 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)cc1OC ZINC000423549677 428971932 /nfs/dbraw/zinc/97/19/32/428971932.db2.gz HYRUPKFWABMTPE-GDBMZVCRSA-N 2 1 306.450 2.675 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000354273162 428948769 /nfs/dbraw/zinc/94/87/69/428948769.db2.gz RVHJHDJMVSYPGY-QZTJIDSGSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000354284151 428955104 /nfs/dbraw/zinc/95/51/04/428955104.db2.gz WEYMZUTYYSASNH-OCCSQVGLSA-N 2 1 304.463 2.721 20 0 DFADMP Nc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)ccn1 ZINC000420314876 428958087 /nfs/dbraw/zinc/95/80/87/428958087.db2.gz RBMWCIZJXSZDAL-RBUKOAKNSA-N 2 1 324.472 2.836 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCOC[C@@H]3C)sc2C1 ZINC000375750733 428960495 /nfs/dbraw/zinc/96/04/95/428960495.db2.gz NYIXFGTYTLUIEO-KBPBESRZSA-N 2 1 323.506 2.672 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCOC[C@@H]3C)sc2C1 ZINC000375750733 428960501 /nfs/dbraw/zinc/96/05/01/428960501.db2.gz NYIXFGTYTLUIEO-KBPBESRZSA-N 2 1 323.506 2.672 20 0 DFADMP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000349317896 428960589 /nfs/dbraw/zinc/96/05/89/428960589.db2.gz QRWQKFHCPWRCQV-KRWDZBQOSA-N 2 1 315.505 2.904 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000375769150 428967930 /nfs/dbraw/zinc/96/79/30/428967930.db2.gz PNGQQEIMNDPKSC-AEFFLSMTSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000375769150 428967935 /nfs/dbraw/zinc/96/79/35/428967935.db2.gz PNGQQEIMNDPKSC-AEFFLSMTSA-N 2 1 312.461 2.729 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000375907433 429015054 /nfs/dbraw/zinc/01/50/54/429015054.db2.gz SCOPGMGQAPYTHL-HKUYNNGSSA-N 2 1 301.478 2.848 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000355143975 429029459 /nfs/dbraw/zinc/02/94/59/429029459.db2.gz ASVBTYADWVRJFV-DLBZAZTESA-N 2 1 311.514 2.637 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000355143976 429031229 /nfs/dbraw/zinc/03/12/29/429031229.db2.gz ASVBTYADWVRJFV-IAGOWNOFSA-N 2 1 311.514 2.637 20 0 DFADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000375789847 428973637 /nfs/dbraw/zinc/97/36/37/428973637.db2.gz VBLQYCFNZFXPLF-LPHOPBHVSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000349377139 428974697 /nfs/dbraw/zinc/97/46/97/428974697.db2.gz IPVASHNLYRGTEB-VVWQDTPRSA-N 2 1 301.478 2.750 20 0 DFADMP C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000349377139 428974703 /nfs/dbraw/zinc/97/47/03/428974703.db2.gz IPVASHNLYRGTEB-VVWQDTPRSA-N 2 1 301.478 2.750 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@H]4CCCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423572116 428975889 /nfs/dbraw/zinc/97/58/89/428975889.db2.gz YHADKYBIWTUJMY-HAGHYFMRSA-N 2 1 313.489 2.629 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000349410466 428985125 /nfs/dbraw/zinc/98/51/25/428985125.db2.gz UPKWZCPPCAODIM-UHFFFAOYSA-N 2 1 322.449 2.630 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c2c(c1)OCCO2 ZINC000349410466 428985130 /nfs/dbraw/zinc/98/51/30/428985130.db2.gz UPKWZCPPCAODIM-UHFFFAOYSA-N 2 1 322.449 2.630 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000349452466 428991486 /nfs/dbraw/zinc/99/14/86/428991486.db2.gz JSOBCNZEOKHEFO-HNAYVOBHSA-N 2 1 321.428 2.997 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC(c2ccccc2)C1 ZINC000433085627 428993118 /nfs/dbraw/zinc/99/31/18/428993118.db2.gz WZCGYEUPSRNUCK-NUVZVAJJSA-N 2 1 314.473 2.759 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)CC2)n1 ZINC000363791584 428994930 /nfs/dbraw/zinc/99/49/30/428994930.db2.gz TXPNALLYMJSDBD-QGPMSJSTSA-N 3 1 316.493 2.677 20 0 DFADMP Cc1ccc([C@H]([NH2+][C@H](C)CN2CC[NH+](C)CC2)C2CCC2)o1 ZINC000349489839 428995013 /nfs/dbraw/zinc/99/50/13/428995013.db2.gz AXHAEGLJMJNJQF-RDTXWAMCSA-N 2 1 305.466 2.655 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000375845970 428997122 /nfs/dbraw/zinc/99/71/22/428997122.db2.gz ZRKULJPJAZXBFQ-BHIYHBOVSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2nccn2C1 ZINC000375845970 428997127 /nfs/dbraw/zinc/99/71/27/428997127.db2.gz ZRKULJPJAZXBFQ-BHIYHBOVSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000423721064 429004275 /nfs/dbraw/zinc/00/42/75/429004275.db2.gz BKEGRIRVKWPCHK-IGKNDFSCSA-N 2 1 321.509 2.758 20 0 DFADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCSC1 ZINC000433187342 429006538 /nfs/dbraw/zinc/00/65/38/429006538.db2.gz OBVMYAQLZUXNCD-INIZCTEOSA-N 2 1 311.495 2.816 20 0 DFADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@H]1CCCSC1 ZINC000433187342 429006540 /nfs/dbraw/zinc/00/65/40/429006540.db2.gz OBVMYAQLZUXNCD-INIZCTEOSA-N 2 1 311.495 2.816 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000375888799 429009167 /nfs/dbraw/zinc/00/91/67/429009167.db2.gz MWDTWYXUTHOONR-AABGKKOBSA-N 2 1 324.472 2.877 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C(C)(C)O)cc2)[C@@H]2CCC[C@@H]21 ZINC000375898367 429011828 /nfs/dbraw/zinc/01/18/28/429011828.db2.gz RRDLMKASRWLVBO-BZSNNMDCSA-N 2 1 302.462 2.876 20 0 DFADMP CCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354828422 429012836 /nfs/dbraw/zinc/01/28/36/429012836.db2.gz BIPPOCJIOLWEGV-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP CC[C@]1(C)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856996 429013487 /nfs/dbraw/zinc/01/34/87/429013487.db2.gz MWXCHMZIPZRCOL-PKOBYXMFSA-N 2 1 317.477 2.528 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375903140 429013527 /nfs/dbraw/zinc/01/35/27/429013527.db2.gz HDBZPAMINLMBAX-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000434504692 429092285 /nfs/dbraw/zinc/09/22/85/429092285.db2.gz VSOBDYBNJMNINT-LMMKCTJWSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000434504692 429092289 /nfs/dbraw/zinc/09/22/89/429092289.db2.gz VSOBDYBNJMNINT-LMMKCTJWSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000434504692 429092293 /nfs/dbraw/zinc/09/22/93/429092293.db2.gz VSOBDYBNJMNINT-LMMKCTJWSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000434504692 429092297 /nfs/dbraw/zinc/09/22/97/429092297.db2.gz VSOBDYBNJMNINT-LMMKCTJWSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423463636 429092457 /nfs/dbraw/zinc/09/24/57/429092457.db2.gz ASGDRGSQEPMVQD-HIFRSBDPSA-N 2 1 320.387 2.768 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H](C[C@H]1CCOC1)c1ccccc1 ZINC000423463076 429092530 /nfs/dbraw/zinc/09/25/30/429092530.db2.gz AJXFLTKNACMFLZ-DJIMGWMZSA-N 2 1 324.415 2.989 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423475839 429094354 /nfs/dbraw/zinc/09/43/54/429094354.db2.gz KQCUNCQLICKALS-CJNGLKHVSA-N 2 1 310.388 2.907 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423478174 429095429 /nfs/dbraw/zinc/09/54/29/429095429.db2.gz MWTXERGDZYYKRU-GHMZBOCLSA-N 2 1 301.406 2.663 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000375986174 429035351 /nfs/dbraw/zinc/03/53/51/429035351.db2.gz PGOWYDUZPCSRIN-DLBZAZTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000375986174 429035356 /nfs/dbraw/zinc/03/53/56/429035356.db2.gz PGOWYDUZPCSRIN-DLBZAZTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000375986174 429035361 /nfs/dbraw/zinc/03/53/61/429035361.db2.gz PGOWYDUZPCSRIN-DLBZAZTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000375986174 429035366 /nfs/dbraw/zinc/03/53/66/429035366.db2.gz PGOWYDUZPCSRIN-DLBZAZTESA-N 2 1 303.450 2.718 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000423847314 429035966 /nfs/dbraw/zinc/03/59/66/429035966.db2.gz PZQOQFPVSBJWPU-HHXXYDBFSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCCC[C@@H]1n1cccn1 ZINC000128984868 274860817 /nfs/dbraw/zinc/86/08/17/274860817.db2.gz GTPQGZXKSKXPFR-SJORKVTESA-N 2 1 301.438 2.942 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423904478 429052643 /nfs/dbraw/zinc/05/26/43/429052643.db2.gz OHWCMTDKADHFAN-LZLYRXPVSA-N 2 1 317.477 2.531 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000423296651 429058178 /nfs/dbraw/zinc/05/81/78/429058178.db2.gz HFVUMKWAKBSGKC-SJLPKXTDSA-N 2 1 303.450 2.587 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423287269 429058457 /nfs/dbraw/zinc/05/84/57/429058457.db2.gz LEQUKGZQQIEXPR-HNNXBMFYSA-N 3 1 307.482 2.795 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000423303347 429059349 /nfs/dbraw/zinc/05/93/49/429059349.db2.gz WXKWBYWODVTGGJ-UHOSZYNNSA-N 2 1 319.493 2.556 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423311468 429059722 /nfs/dbraw/zinc/05/97/22/429059722.db2.gz TYPGOKBXRMQDNK-GJZGRUSLSA-N 2 1 303.450 2.701 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423297408 429060139 /nfs/dbraw/zinc/06/01/39/429060139.db2.gz KFJKJQLCUVCHQQ-RDJZCZTQSA-N 2 1 305.466 2.691 20 0 DFADMP [NH3+][C@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423311569 429062681 /nfs/dbraw/zinc/06/26/81/429062681.db2.gz BZWNQOWQVQAVNQ-ZIAGYGMSSA-N 2 1 300.324 2.899 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cnn1C(C)(C)C ZINC000423481210 429096993 /nfs/dbraw/zinc/09/69/93/429096993.db2.gz QBYKMTJRSMBJIL-AAEUAGOBSA-N 2 1 314.424 2.842 20 0 DFADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000423319606 429063102 /nfs/dbraw/zinc/06/31/02/429063102.db2.gz LTMVFRDIJRTSBN-UONOGXRCSA-N 2 1 313.214 2.902 20 0 DFADMP COc1ccc(C[C@H]([NH2+][C@H](C)C[NH3+])c2ccc(OC)cc2)cc1 ZINC000423322605 429063806 /nfs/dbraw/zinc/06/38/06/429063806.db2.gz JARFNIDYONEEKV-KUHUBIRLSA-N 2 1 314.429 2.924 20 0 DFADMP C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423323020 429064455 /nfs/dbraw/zinc/06/44/55/429064455.db2.gz HXMPDYWSISQFGB-APWZRJJASA-N 2 1 319.493 2.667 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423327494 429064505 /nfs/dbraw/zinc/06/45/05/429064505.db2.gz NFYXWJPOBKKSJG-CEXWTWQISA-N 3 1 301.478 2.616 20 0 DFADMP COCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000423329392 429064725 /nfs/dbraw/zinc/06/47/25/429064725.db2.gz LLXGAXDWYRGXPX-BMGDILEWSA-N 2 1 306.450 2.545 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423327496 429064928 /nfs/dbraw/zinc/06/49/28/429064928.db2.gz NFYXWJPOBKKSJG-GBESFXJTSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423328274 429065833 /nfs/dbraw/zinc/06/58/33/429065833.db2.gz LXWVVJSWZSQQQB-NVXWUHKLSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCC1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423324632 429066295 /nfs/dbraw/zinc/06/62/95/429066295.db2.gz KTAGOLHBHUIZFE-GFCCVEGCSA-N 2 1 302.422 2.503 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423335336 429067865 /nfs/dbraw/zinc/06/78/65/429067865.db2.gz RQPHWFOSTOSWHQ-ROUUACIJSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423335336 429067869 /nfs/dbraw/zinc/06/78/69/429067869.db2.gz RQPHWFOSTOSWHQ-ROUUACIJSA-N 3 1 301.478 2.801 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423347883 429069578 /nfs/dbraw/zinc/06/95/78/429069578.db2.gz SCDOEALTIIQVMH-FUMNGEBKSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423347883 429069581 /nfs/dbraw/zinc/06/95/81/429069581.db2.gz SCDOEALTIIQVMH-FUMNGEBKSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423347883 429069586 /nfs/dbraw/zinc/06/95/86/429069586.db2.gz SCDOEALTIIQVMH-FUMNGEBKSA-N 3 1 313.489 2.629 20 0 DFADMP [NH3+]CC(F)(F)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423348381 429069900 /nfs/dbraw/zinc/06/99/00/429069900.db2.gz STPAMSOKKRPTGA-BBWFWOEESA-N 2 1 323.431 2.613 20 0 DFADMP [NH3+]CC(F)(F)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423348381 429069904 /nfs/dbraw/zinc/06/99/04/429069904.db2.gz STPAMSOKKRPTGA-BBWFWOEESA-N 2 1 323.431 2.613 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCCOCC2)cc1F ZINC000423361066 429071669 /nfs/dbraw/zinc/07/16/69/429071669.db2.gz GOGHITKGNUSSOO-JKIFEVAISA-N 2 1 310.388 2.569 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423361795 429072508 /nfs/dbraw/zinc/07/25/08/429072508.db2.gz MPIAIXSJBFSYEG-RACLHMPKSA-N 2 1 313.489 2.770 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@H](C)[NH3+] ZINC000423357509 429072628 /nfs/dbraw/zinc/07/26/28/429072628.db2.gz IEOKXZRUSDOPHO-IDCNUPLLSA-N 2 1 317.477 2.558 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423359873 429072681 /nfs/dbraw/zinc/07/26/81/429072681.db2.gz PSZGYQVKIIVEBR-LSDHHAIUSA-N 2 1 303.450 2.557 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423359870 429072761 /nfs/dbraw/zinc/07/27/61/429072761.db2.gz PSZGYQVKIIVEBR-GJZGRUSLSA-N 2 1 303.450 2.557 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000423369870 429074121 /nfs/dbraw/zinc/07/41/21/429074121.db2.gz PDZAWKMRZSUPPT-IDCJVQTKSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000423368744 429074388 /nfs/dbraw/zinc/07/43/88/429074388.db2.gz FLSDVUBLWLPPMX-ZNMIVQPWSA-N 2 1 303.450 2.699 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC[NH2+]2)cc1 ZINC000423372912 429074795 /nfs/dbraw/zinc/07/47/95/429074795.db2.gz HKGRECBOAMUTBV-PMACEKPBSA-N 3 1 307.441 2.873 20 0 DFADMP c1ccc([C@@H]2C[C@@H](NCc3ccc4c(c3)C[NH2+]C4)CC[NH2+]2)cc1 ZINC000423372912 429074796 /nfs/dbraw/zinc/07/47/96/429074796.db2.gz HKGRECBOAMUTBV-PMACEKPBSA-N 2 1 307.441 2.873 20 0 DFADMP Cn1cc([C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000423382080 429076083 /nfs/dbraw/zinc/07/60/83/429076083.db2.gz JTIGNZDIBNZVFS-BRWVUGGUSA-N 2 1 302.397 2.508 20 0 DFADMP C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423374752 429076768 /nfs/dbraw/zinc/07/67/68/429076768.db2.gz IIYXEKSZQQWJBS-PSBWJHGTSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423374752 429076771 /nfs/dbraw/zinc/07/67/71/429076771.db2.gz IIYXEKSZQQWJBS-PSBWJHGTSA-N 3 1 301.478 2.627 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423374752 429076775 /nfs/dbraw/zinc/07/67/75/429076775.db2.gz IIYXEKSZQQWJBS-PSBWJHGTSA-N 3 1 301.478 2.627 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OC ZINC000423373954 429077081 /nfs/dbraw/zinc/07/70/81/429077081.db2.gz WVEHAAIDRGJUSM-IVMMDQJWSA-N 2 1 306.450 2.531 20 0 DFADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@H]2CNCCN2C)cc1 ZINC000423483121 429097375 /nfs/dbraw/zinc/09/73/75/429097375.db2.gz SAAHNATYMTXCDD-SJLPKXTDSA-N 2 1 319.493 2.666 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423375085 429077866 /nfs/dbraw/zinc/07/78/66/429077866.db2.gz IRLYYDXUIVZYSE-NUEKZKHPSA-N 2 1 313.449 2.805 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000423380481 429077964 /nfs/dbraw/zinc/07/79/64/429077964.db2.gz MSOBDGYTCJTCAJ-IACUBPJLSA-N 2 1 320.433 2.872 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423386615 429078736 /nfs/dbraw/zinc/07/87/36/429078736.db2.gz MATUDGXHOJFITD-GLQYFDAESA-N 2 1 317.412 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Oc2ccccc2)cc1 ZINC000423408233 429081147 /nfs/dbraw/zinc/08/11/47/429081147.db2.gz OKACSEBRZAITEK-GMBSWORKSA-N 2 1 312.413 2.710 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000423422182 429084538 /nfs/dbraw/zinc/08/45/38/429084538.db2.gz YNHXTZPIRWUZKM-KDOFPFPSSA-N 2 1 315.461 2.701 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000423424656 429085241 /nfs/dbraw/zinc/08/52/41/429085241.db2.gz NGURVHAGXQIFHM-PVAVHDDUSA-N 2 1 317.477 2.654 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)[C@H](C)C1 ZINC000423415735 429085633 /nfs/dbraw/zinc/08/56/33/429085633.db2.gz AZNHHNCKTIGDAS-CPUCHLNUSA-N 2 1 303.450 2.509 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC ZINC000435439215 429143162 /nfs/dbraw/zinc/14/31/62/429143162.db2.gz UCRXSPBGSBTGCX-OAHLLOKOSA-N 2 1 322.449 2.676 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)C1 ZINC000424436783 429143328 /nfs/dbraw/zinc/14/33/28/429143328.db2.gz NFAWEAHUBDWTJQ-HNNXBMFYSA-N 2 1 318.465 2.649 20 0 DFADMP CC[N@@H+](CCc1nc(-c2ccccc2)no1)[C@H]1CCC[NH2+]CC1 ZINC000435619278 429152693 /nfs/dbraw/zinc/15/26/93/429152693.db2.gz TYWHQRNLXGZIRP-INIZCTEOSA-N 2 1 314.433 2.743 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)cc2O1 ZINC000424139459 429098364 /nfs/dbraw/zinc/09/83/64/429098364.db2.gz VHXARTNAMDDCFL-LBPRGKRZSA-N 2 1 310.344 2.582 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423497225 429098977 /nfs/dbraw/zinc/09/89/77/429098977.db2.gz GGTHHJKWHXICOJ-CXAGYDPISA-N 2 1 303.450 2.557 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncn2C(C)C)[C@H](C)C1 ZINC000424140427 429099395 /nfs/dbraw/zinc/09/93/95/429099395.db2.gz FYPWSDQRWHGQTM-AEFFLSMTSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncn2C(C)C)[C@H](C)C1 ZINC000424140427 429099398 /nfs/dbraw/zinc/09/93/98/429099398.db2.gz FYPWSDQRWHGQTM-AEFFLSMTSA-N 2 1 322.497 2.691 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)[C@@H]1Oc1ccccc1 ZINC000423500498 429100888 /nfs/dbraw/zinc/10/08/88/429100888.db2.gz KIGWMLAKZATOPN-MANSERQUSA-N 2 1 318.461 2.719 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000423503855 429102300 /nfs/dbraw/zinc/10/23/00/429102300.db2.gz FHWYZMXEUTYKPN-CDHAZOANSA-N 2 1 304.434 2.608 20 0 DFADMP C[C@@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508255 429103930 /nfs/dbraw/zinc/10/39/30/429103930.db2.gz KNXMTTWNYULCMN-LCLWPZTBSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]([C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508255 429103935 /nfs/dbraw/zinc/10/39/35/429103935.db2.gz KNXMTTWNYULCMN-LCLWPZTBSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508255 429103937 /nfs/dbraw/zinc/10/39/37/429103937.db2.gz KNXMTTWNYULCMN-LCLWPZTBSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508255 429103940 /nfs/dbraw/zinc/10/39/40/429103940.db2.gz KNXMTTWNYULCMN-LCLWPZTBSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]([C@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508255 429103943 /nfs/dbraw/zinc/10/39/43/429103943.db2.gz KNXMTTWNYULCMN-LCLWPZTBSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H](C[NH3+])C1CCCC1 ZINC000423507890 429104155 /nfs/dbraw/zinc/10/41/55/429104155.db2.gz IRJXDPUQARRYNW-AYOQOUSVSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H](c1cnn(Cc2ccccc2)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423509908 429104284 /nfs/dbraw/zinc/10/42/84/429104284.db2.gz MZNZNYPMVVVALJ-GPMSIDNRSA-N 2 1 312.461 2.909 20 0 DFADMP C[C@@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511444 429104328 /nfs/dbraw/zinc/10/43/28/429104328.db2.gz OYCMGIZLUUBVSL-JTDSTZFVSA-N 3 1 319.493 2.605 20 0 DFADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510516 429104340 /nfs/dbraw/zinc/10/43/40/429104340.db2.gz MMRIKDLWASYYAN-WVLNKYAVSA-N 2 1 313.489 2.726 20 0 DFADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423510607 429104371 /nfs/dbraw/zinc/10/43/71/429104371.db2.gz JWAAXBHJUCJILF-XJKSGUPXSA-N 2 1 315.486 2.772 20 0 DFADMP CCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000434685993 429104567 /nfs/dbraw/zinc/10/45/67/429104567.db2.gz SMRRMUQGFDIGTG-BQFCYCMXSA-N 2 1 317.477 2.798 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1C(F)(F)F ZINC000423516169 429105518 /nfs/dbraw/zinc/10/55/18/429105518.db2.gz NNIQEXSNVPKTOQ-RYUDHWBXSA-N 2 1 302.340 2.735 20 0 DFADMP Cc1cccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423519722 429106191 /nfs/dbraw/zinc/10/61/91/429106191.db2.gz QIAUCSYYBLUSPP-IVMQYODDSA-N 2 1 301.478 2.862 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000376401806 429106547 /nfs/dbraw/zinc/10/65/47/429106547.db2.gz DATXPXMFTONSLU-JWTNVVGKSA-N 2 1 323.525 2.972 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1F ZINC000423519836 429107291 /nfs/dbraw/zinc/10/72/91/429107291.db2.gz QPSNJJPKAHNFDH-JEYLPNPQSA-N 2 1 323.431 2.832 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1F ZINC000424286705 429119494 /nfs/dbraw/zinc/11/94/94/429119494.db2.gz HXUMTEPAGSHUHX-CQSZACIVSA-N 2 1 319.424 2.537 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1nccn1Cc1ccccc1)CC[NH2+]CC2 ZINC000424286034 429119718 /nfs/dbraw/zinc/11/97/18/429119718.db2.gz GUANJZGFYILZTD-KRWDZBQOSA-N 2 1 324.472 2.895 20 0 DFADMP [NH3+]C[C@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000424303674 429122930 /nfs/dbraw/zinc/12/29/30/429122930.db2.gz OPFQGLBWQFAILF-QGZVFWFLSA-N 2 1 313.420 2.690 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130025 429126088 /nfs/dbraw/zinc/12/60/88/429126088.db2.gz PKHVJSVMOABZJL-KGLIPLIRSA-N 2 1 302.422 2.974 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130025 429126092 /nfs/dbraw/zinc/12/60/92/429126092.db2.gz PKHVJSVMOABZJL-KGLIPLIRSA-N 2 1 302.422 2.974 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130025 429126094 /nfs/dbraw/zinc/12/60/94/429126094.db2.gz PKHVJSVMOABZJL-KGLIPLIRSA-N 2 1 302.422 2.974 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130025 429126095 /nfs/dbraw/zinc/12/60/95/429126095.db2.gz PKHVJSVMOABZJL-KGLIPLIRSA-N 2 1 302.422 2.974 20 0 DFADMP C[N@@H+](CCOC1CCC1)C1CCN(CCc2ccncc2)CC1 ZINC000376516063 429126651 /nfs/dbraw/zinc/12/66/51/429126651.db2.gz XIFYOOAMIUFNQE-UHFFFAOYSA-N 2 1 317.477 2.589 20 0 DFADMP C[N@H+](CCOC1CCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000376516063 429126655 /nfs/dbraw/zinc/12/66/55/429126655.db2.gz XIFYOOAMIUFNQE-UHFFFAOYSA-N 2 1 317.477 2.589 20 0 DFADMP C[N@@H+](CCOC1CCC1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000376516063 429126659 /nfs/dbraw/zinc/12/66/59/429126659.db2.gz XIFYOOAMIUFNQE-UHFFFAOYSA-N 2 1 317.477 2.589 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000424376839 429131433 /nfs/dbraw/zinc/13/14/33/429131433.db2.gz PYAAIFPFNOGBQL-JCURWCKSSA-N 2 1 316.449 2.891 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494637783 429135090 /nfs/dbraw/zinc/13/50/90/429135090.db2.gz NCSRGQGNKGXHSJ-KURKYZTESA-N 2 1 321.509 2.632 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000435377806 429135541 /nfs/dbraw/zinc/13/55/41/429135541.db2.gz FKJQGFINFPEXRP-CFVMTHIKSA-N 2 1 300.406 2.537 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@H]1CCc2nccn2C1 ZINC000376559026 429136309 /nfs/dbraw/zinc/13/63/09/429136309.db2.gz RUMASXFSECULJB-OAHLLOKOSA-N 2 1 321.465 2.747 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376559026 429136315 /nfs/dbraw/zinc/13/63/15/429136315.db2.gz RUMASXFSECULJB-OAHLLOKOSA-N 2 1 321.465 2.747 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376559026 429136318 /nfs/dbraw/zinc/13/63/18/429136318.db2.gz RUMASXFSECULJB-OAHLLOKOSA-N 2 1 321.465 2.747 20 0 DFADMP CC[N@@H+](Cc1cccc(OCCOC)c1)[C@H]1CCC[NH2+]CC1 ZINC000435390169 429136434 /nfs/dbraw/zinc/13/64/34/429136434.db2.gz OIFPTRNWEUUKLQ-KRWDZBQOSA-N 2 1 306.450 2.676 20 0 DFADMP CC[N@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435389904 429136825 /nfs/dbraw/zinc/13/68/25/429136825.db2.gz NBLVVNOANUUCRW-LJQANCHMSA-N 2 1 312.461 2.895 20 0 DFADMP CC[N@@H+](Cc1cnn(Cc2ccccc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435389904 429136831 /nfs/dbraw/zinc/13/68/31/429136831.db2.gz NBLVVNOANUUCRW-LJQANCHMSA-N 2 1 312.461 2.895 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000424424885 429139120 /nfs/dbraw/zinc/13/91/20/429139120.db2.gz ISHHWQURGKZUCZ-UHFFFAOYSA-N 2 1 318.465 2.697 20 0 DFADMP CC[N@@H+](Cc1cc(-n2ccnc2)cs1)[C@H]1CCC[NH2+]CC1 ZINC000435392498 429139766 /nfs/dbraw/zinc/13/97/66/429139766.db2.gz WTSXABFVVFEWCF-AWEZNQCLSA-N 2 1 304.463 2.898 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1F ZINC000435392091 429140001 /nfs/dbraw/zinc/14/00/01/429140001.db2.gz ZVAMJIDWNBEYKL-FAYQHZLMSA-N 2 1 306.425 2.682 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000435398966 429140334 /nfs/dbraw/zinc/14/03/34/429140334.db2.gz SYRYEJAJZCXBEX-YIONKMFJSA-N 2 1 300.406 2.693 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000435398966 429140341 /nfs/dbraw/zinc/14/03/41/429140341.db2.gz SYRYEJAJZCXBEX-YIONKMFJSA-N 2 1 300.406 2.693 20 0 DFADMP Cn1ccnc1C[N@@H+](CC1CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000435432674 429141548 /nfs/dbraw/zinc/14/15/48/429141548.db2.gz JXKBKJDUWPJUFU-KRWDZBQOSA-N 2 1 316.493 2.945 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@@H](C)C1 ZINC000424442229 429141858 /nfs/dbraw/zinc/14/18/58/429141858.db2.gz XPHZLGKTRLSNNU-WMLDXEAASA-N 2 1 318.465 2.648 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@H]1C ZINC000424437816 429142254 /nfs/dbraw/zinc/14/22/54/429142254.db2.gz OTNDUMGYRFCZGW-PBHICJAKSA-N 2 1 318.465 2.790 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494888653 429160995 /nfs/dbraw/zinc/16/09/95/429160995.db2.gz IKOVSDLSCBZWNK-JCGIZDLHSA-N 2 1 315.461 2.666 20 0 DFADMP Cc1ncsc1C[N@H+](CCCOC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000435739129 429161500 /nfs/dbraw/zinc/16/15/00/429161500.db2.gz VTCWDMKGEMOFEP-OAHLLOKOSA-N 2 1 311.495 2.678 20 0 DFADMP Cc1ncsc1C[N@@H+](CCCOC(C)C)C[C@@H]1CC[NH2+]C1 ZINC000435739129 429161506 /nfs/dbraw/zinc/16/15/06/429161506.db2.gz VTCWDMKGEMOFEP-OAHLLOKOSA-N 2 1 311.495 2.678 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)[C@H]1C ZINC000494905560 429163334 /nfs/dbraw/zinc/16/33/34/429163334.db2.gz AUTDZZXWVAZLLQ-UMGGQSCQSA-N 2 1 315.505 2.999 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[NH+]1CCCCCC1 ZINC000494924678 429165060 /nfs/dbraw/zinc/16/50/60/429165060.db2.gz QYGMSCHCUKSUOO-CVEARBPZSA-N 2 1 309.498 2.534 20 0 DFADMP CCSCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697580 429159209 /nfs/dbraw/zinc/15/92/09/429159209.db2.gz SMSMCBQJIBOMLU-CYBMUJFWSA-N 2 1 311.520 2.840 20 0 DFADMP CCSCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435697580 429159212 /nfs/dbraw/zinc/15/92/12/429159212.db2.gz SMSMCBQJIBOMLU-CYBMUJFWSA-N 2 1 311.520 2.840 20 0 DFADMP c1cc2c(o1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192880917 275065559 /nfs/dbraw/zinc/06/55/59/275065559.db2.gz AFSQBZDPXMWBSW-PBHICJAKSA-N 2 1 304.434 2.748 20 0 DFADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+][C@@H]2C[C@H](C)[C@@H]2C)c1 ZINC000495060139 429176332 /nfs/dbraw/zinc/17/63/32/429176332.db2.gz QCMKNQNZNVCZOR-TXPKVOOTSA-N 2 1 320.477 2.778 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CCC(=O)NC1(C)C)[N@@H+](C)Cc1ccccc1 ZINC000495077923 429177034 /nfs/dbraw/zinc/17/70/34/429177034.db2.gz GVAZFJYKPRBZKR-NVXWUHKLSA-N 2 1 317.477 2.544 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+]C2CC[NH+](C3CC3)CC2)cs1 ZINC000436274150 429194079 /nfs/dbraw/zinc/19/40/79/429194079.db2.gz KLZMMYPZZCMWSW-UHFFFAOYSA-N 2 1 302.447 2.855 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000364481936 429211742 /nfs/dbraw/zinc/21/17/42/429211742.db2.gz HAQNWMRLIVNBLA-SJLPKXTDSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CCO)CC1 ZINC000364481936 429211746 /nfs/dbraw/zinc/21/17/46/429211746.db2.gz HAQNWMRLIVNBLA-SJLPKXTDSA-N 2 1 302.462 2.649 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2[N@H+](C)CCCC2(C)C)n1 ZINC000364560838 429223450 /nfs/dbraw/zinc/22/34/50/429223450.db2.gz BDNSGMAUPVXJCL-AWEZNQCLSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2[N@@H+](C)CCCC2(C)C)n1 ZINC000364560838 429223456 /nfs/dbraw/zinc/22/34/56/429223456.db2.gz BDNSGMAUPVXJCL-AWEZNQCLSA-N 2 1 314.437 2.503 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)[C@@H](C(C)C)C1 ZINC000489323261 429230005 /nfs/dbraw/zinc/23/00/05/429230005.db2.gz NQQXSFAIBQKWCY-QGZVFWFLSA-N 2 1 311.514 2.687 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000364591022 429231510 /nfs/dbraw/zinc/23/15/10/429231510.db2.gz LGNVWQGVVKQOBK-ZWKOTPCHSA-N 2 1 321.509 2.728 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495352237 429200984 /nfs/dbraw/zinc/20/09/84/429200984.db2.gz KENCSWQVYQHBDM-AWEZNQCLSA-N 2 1 313.486 2.611 20 0 DFADMP CCn1ccnc1[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000456364236 429288040 /nfs/dbraw/zinc/28/80/40/429288040.db2.gz VDQXCVGSJJVVMV-CABCVRRESA-N 2 1 314.433 2.601 20 0 DFADMP CCn1ccnc1[C@@H](C)NC(=O)[C@H](C)N(C)Cc1ccccc1 ZINC000456364236 429288044 /nfs/dbraw/zinc/28/80/44/429288044.db2.gz VDQXCVGSJJVVMV-CABCVRRESA-N 2 1 314.433 2.601 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000442767298 429234866 /nfs/dbraw/zinc/23/48/66/429234866.db2.gz YFVWBYJEJGOKSX-NEPJUHHUSA-N 2 1 302.340 2.753 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc(Cl)c1OC ZINC000442925055 429240266 /nfs/dbraw/zinc/24/02/66/429240266.db2.gz TWYISKIOIMTCMR-LBPRGKRZSA-N 2 1 312.841 2.918 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000364664408 429245462 /nfs/dbraw/zinc/24/54/62/429245462.db2.gz YRKDJVLASPGAIX-OAGGEKHMSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000364664408 429245466 /nfs/dbraw/zinc/24/54/66/429245466.db2.gz YRKDJVLASPGAIX-OAGGEKHMSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364664408 429245468 /nfs/dbraw/zinc/24/54/68/429245468.db2.gz YRKDJVLASPGAIX-OAGGEKHMSA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000364664408 429245471 /nfs/dbraw/zinc/24/54/71/429245471.db2.gz YRKDJVLASPGAIX-OAGGEKHMSA-N 2 1 308.466 2.524 20 0 DFADMP COc1cc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc(OC)c1 ZINC000364665562 429246250 /nfs/dbraw/zinc/24/62/50/429246250.db2.gz SYCUGOWMNFKEKZ-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc(OC)c1 ZINC000364665562 429246254 /nfs/dbraw/zinc/24/62/54/429246254.db2.gz SYCUGOWMNFKEKZ-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP C[N@@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364674048 429248571 /nfs/dbraw/zinc/24/85/71/429248571.db2.gz QLKSJFINPGBKJV-OAHLLOKOSA-N 2 1 309.413 2.853 20 0 DFADMP C[N@H+](CC1=Cc2ccccc2OC1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364674048 429248574 /nfs/dbraw/zinc/24/85/74/429248574.db2.gz QLKSJFINPGBKJV-OAHLLOKOSA-N 2 1 309.413 2.853 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCc2cnccn2)C3)cc1 ZINC000365217613 429280383 /nfs/dbraw/zinc/28/03/83/429280383.db2.gz FQMCCILUUKQRAN-ACDBMABISA-N 2 1 322.456 2.804 20 0 DFADMP COCCOc1ccccc1C[N@@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365463056 429324233 /nfs/dbraw/zinc/32/42/33/429324233.db2.gz QZVFCGXNWFLOQS-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000365463056 429324237 /nfs/dbraw/zinc/32/42/37/429324237.db2.gz QZVFCGXNWFLOQS-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP Fc1cnccc1CNC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000449121335 429336607 /nfs/dbraw/zinc/33/66/07/429336607.db2.gz HJOCAJUKASBUEZ-KRWDZBQOSA-N 2 1 313.420 2.875 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000425425299 429293659 /nfs/dbraw/zinc/29/36/59/429293659.db2.gz YBOLOJINPACHBG-PKOBYXMFSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@H](C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425299 429293663 /nfs/dbraw/zinc/29/36/63/429293663.db2.gz YBOLOJINPACHBG-PKOBYXMFSA-N 2 1 302.462 2.865 20 0 DFADMP CO[C@H](C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000425425299 429293667 /nfs/dbraw/zinc/29/36/67/429293667.db2.gz YBOLOJINPACHBG-PKOBYXMFSA-N 2 1 302.462 2.865 20 0 DFADMP COC(=O)[C@H](CC[N@H+]1CCC[C@H]([NH+](C)C)CC1)c1ccccc1 ZINC000425484885 429307728 /nfs/dbraw/zinc/30/77/28/429307728.db2.gz SWCBWSLUMGDOJO-ZWKOTPCHSA-N 2 1 318.461 2.749 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000457118313 429406612 /nfs/dbraw/zinc/40/66/12/429406612.db2.gz MPNWKDUJNCCITD-FUHWJXTLSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000457118313 429406618 /nfs/dbraw/zinc/40/66/18/429406618.db2.gz MPNWKDUJNCCITD-FUHWJXTLSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000457118313 429406620 /nfs/dbraw/zinc/40/66/20/429406620.db2.gz MPNWKDUJNCCITD-FUHWJXTLSA-N 2 1 321.509 2.582 20 0 DFADMP Fc1cc(F)cc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425899434 429350738 /nfs/dbraw/zinc/35/07/38/429350738.db2.gz LFSKUIVORGQYJU-UHFFFAOYSA-N 2 1 307.344 2.710 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000425945419 429352555 /nfs/dbraw/zinc/35/25/55/429352555.db2.gz QPFJXFBIWHUXRK-RDJZCZTQSA-N 2 1 302.462 2.874 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCc3c(cccc3OC)C2)C1 ZINC000425945417 429352837 /nfs/dbraw/zinc/35/28/37/429352837.db2.gz QPFJXFBIWHUXRK-DOTOQJQBSA-N 2 1 302.462 2.874 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000425952306 429355201 /nfs/dbraw/zinc/35/52/01/429355201.db2.gz PAVNAMBISXEIFH-DZGCQCFKSA-N 2 1 304.425 2.758 20 0 DFADMP CCN(CC[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)CCC(F)(F)F ZINC000426079366 429363627 /nfs/dbraw/zinc/36/36/27/429363627.db2.gz PEWKBNCQEIEDPA-KGLIPLIRSA-N 2 1 309.420 2.581 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)[nH+]1 ZINC000365731195 429364539 /nfs/dbraw/zinc/36/45/39/429364539.db2.gz BSIUBAXGQCJSCB-JQHSSLGASA-N 2 1 315.461 2.762 20 0 DFADMP C[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449243147 429365671 /nfs/dbraw/zinc/36/56/71/429365671.db2.gz IMHDLXMPKNCGNB-CYBMUJFWSA-N 2 1 312.404 2.505 20 0 DFADMP O=C(NCCC[NH+]1CCCCC1)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365784430 429371917 /nfs/dbraw/zinc/37/19/17/429371917.db2.gz FYOWTSGZIICNSL-KRWDZBQOSA-N 2 1 321.509 2.633 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000365800486 429375857 /nfs/dbraw/zinc/37/58/57/429375857.db2.gz PJDMOQANKJDARD-SPUZQDLCSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000365800486 429375862 /nfs/dbraw/zinc/37/58/62/429375862.db2.gz PJDMOQANKJDARD-SPUZQDLCSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000365800486 429375866 /nfs/dbraw/zinc/37/58/66/429375866.db2.gz PJDMOQANKJDARD-SPUZQDLCSA-N 2 1 305.466 2.843 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000426296146 429381604 /nfs/dbraw/zinc/38/16/04/429381604.db2.gz XCNQNKFNMJDUGX-IQZDNPOKSA-N 2 1 300.446 2.949 20 0 DFADMP COCC(C)(C)C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000426360472 429384726 /nfs/dbraw/zinc/38/47/26/429384726.db2.gz KBNCCPZWWSIORL-OAHLLOKOSA-N 2 1 305.466 2.990 20 0 DFADMP COCC(C)(C)C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000426360472 429384729 /nfs/dbraw/zinc/38/47/29/429384729.db2.gz KBNCCPZWWSIORL-OAHLLOKOSA-N 2 1 305.466 2.990 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449325907 429388792 /nfs/dbraw/zinc/38/87/92/429388792.db2.gz QKFDSCNGBVWRTA-XWTMOSNGSA-N 2 1 323.525 2.768 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCC[N@@H+]2CC=CCC2)CC1 ZINC000366251034 429441261 /nfs/dbraw/zinc/44/12/61/429441261.db2.gz UTTVZMJQRZLCJB-IEBWSBKVSA-N 2 1 305.510 2.881 20 0 DFADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000518978179 429441735 /nfs/dbraw/zinc/44/17/35/429441735.db2.gz FJNXLGYOOYDGEU-UHFFFAOYSA-N 2 1 320.868 2.982 20 0 DFADMP Cc1nn(Cc2ccc(Cl)cc2)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000518978179 429441740 /nfs/dbraw/zinc/44/17/40/429441740.db2.gz FJNXLGYOOYDGEU-UHFFFAOYSA-N 2 1 320.868 2.982 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427290764 429442806 /nfs/dbraw/zinc/44/28/06/429442806.db2.gz WWDMDBMNNXHKGO-DLBZAZTESA-N 2 1 309.498 2.537 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000427483158 429453516 /nfs/dbraw/zinc/45/35/16/429453516.db2.gz BXEQHDUWTHHHGB-NVXWUHKLSA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000427483158 429453522 /nfs/dbraw/zinc/45/35/22/429453522.db2.gz BXEQHDUWTHHHGB-NVXWUHKLSA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000427483158 429453526 /nfs/dbraw/zinc/45/35/26/429453526.db2.gz BXEQHDUWTHHHGB-NVXWUHKLSA-N 2 1 309.498 2.628 20 0 DFADMP CCC1(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000449602455 429459615 /nfs/dbraw/zinc/45/96/15/429459615.db2.gz DHTRLDGDIDSUMQ-WMZOPIPTSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCCC1)C1CC1 ZINC000518152590 429412685 /nfs/dbraw/zinc/41/26/85/429412685.db2.gz PXISRTNODUREJZ-IBGZPJMESA-N 2 1 316.489 2.977 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCCC1)C1CC1 ZINC000518152590 429412688 /nfs/dbraw/zinc/41/26/88/429412688.db2.gz PXISRTNODUREJZ-IBGZPJMESA-N 2 1 316.489 2.977 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1 ZINC000366071338 429413018 /nfs/dbraw/zinc/41/30/18/429413018.db2.gz CUMDACDVABALJH-JKSUJKDBSA-N 2 1 301.438 2.631 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000366071337 429413422 /nfs/dbraw/zinc/41/34/22/429413422.db2.gz CUMDACDVABALJH-HZPDHXFCSA-N 2 1 301.438 2.631 20 0 DFADMP O[C@@H]1CCCC[C@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000518383675 429419039 /nfs/dbraw/zinc/41/90/39/429419039.db2.gz OXYWBRKLTRTTGB-FUHWJXTLSA-N 2 1 317.477 2.950 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427133542 429432260 /nfs/dbraw/zinc/43/22/60/429432260.db2.gz PNELKMGEGBVRLW-DZGCQCFKSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000427133542 429432264 /nfs/dbraw/zinc/43/22/64/429432264.db2.gz PNELKMGEGBVRLW-DZGCQCFKSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427131836 429432358 /nfs/dbraw/zinc/43/23/58/429432358.db2.gz WBDIJURAMCBNMP-DZGCQCFKSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427131836 429432363 /nfs/dbraw/zinc/43/23/63/429432363.db2.gz WBDIJURAMCBNMP-DZGCQCFKSA-N 2 1 314.351 2.812 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000366213851 429434708 /nfs/dbraw/zinc/43/47/08/429434708.db2.gz ZKJRRTLRYFAXLE-UTJXIGIESA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000366213851 429434712 /nfs/dbraw/zinc/43/47/12/429434712.db2.gz ZKJRRTLRYFAXLE-UTJXIGIESA-N 2 1 304.434 2.837 20 0 DFADMP CO[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1(C)C ZINC000449496029 429435430 /nfs/dbraw/zinc/43/54/30/429435430.db2.gz FVOZORHXMBYHHB-KRWDZBQOSA-N 2 1 314.433 2.823 20 0 DFADMP c1csc([C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ncc[nH]2)c1 ZINC000366860510 429526971 /nfs/dbraw/zinc/52/69/71/429526971.db2.gz YTEVHWMERGKZLX-IUODEOHRSA-N 2 1 313.430 2.609 20 0 DFADMP Cc1cc(C)c(CNC(=O)NCCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000457504041 429476369 /nfs/dbraw/zinc/47/63/69/429476369.db2.gz MIZVNNOTPMXCPR-INIZCTEOSA-N 2 1 318.465 2.762 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427935923 429478249 /nfs/dbraw/zinc/47/82/49/429478249.db2.gz ZYPDALNUEUXJSL-GOSISDBHSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1)C1CC1 ZINC000449688425 429480772 /nfs/dbraw/zinc/48/07/72/429480772.db2.gz VAOSFBXJZQKHEX-UHFFFAOYSA-N 2 1 315.461 2.624 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449712466 429487298 /nfs/dbraw/zinc/48/72/98/429487298.db2.gz RXEBLJQTJBOLRJ-JCHJZTRSSA-N 2 1 302.462 2.648 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1 ZINC000449720007 429488575 /nfs/dbraw/zinc/48/85/75/429488575.db2.gz HZMBKYPNPHBQBU-AEFFLSMTSA-N 2 1 317.477 2.776 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449742062 429492584 /nfs/dbraw/zinc/49/25/84/429492584.db2.gz XSVQPLIXDBLQAU-AYOQOUSVSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000449742062 429492588 /nfs/dbraw/zinc/49/25/88/429492588.db2.gz XSVQPLIXDBLQAU-AYOQOUSVSA-N 2 1 302.462 2.790 20 0 DFADMP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000449740862 429493033 /nfs/dbraw/zinc/49/30/33/429493033.db2.gz RKDZAJIEBFIQOG-RAFMOHDBSA-N 2 1 314.473 2.933 20 0 DFADMP O[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CCC1 ZINC000449740538 429493067 /nfs/dbraw/zinc/49/30/67/429493067.db2.gz POOGLDKDCQOEPQ-LJQANCHMSA-N 2 1 320.452 2.583 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)o1 ZINC000428206300 429499183 /nfs/dbraw/zinc/49/91/83/429499183.db2.gz KOTHHXGGHRVGMN-INIZCTEOSA-N 2 1 323.481 2.868 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC000428374803 429514864 /nfs/dbraw/zinc/51/48/64/429514864.db2.gz BXICPVBLTQAHKL-KRWDZBQOSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H](O)C2(CC2)C1 ZINC000428374803 429514868 /nfs/dbraw/zinc/51/48/68/429514868.db2.gz BXICPVBLTQAHKL-KRWDZBQOSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000428374803 429514871 /nfs/dbraw/zinc/51/48/71/429514871.db2.gz BXICPVBLTQAHKL-KRWDZBQOSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000428374803 429514876 /nfs/dbraw/zinc/51/48/76/429514876.db2.gz BXICPVBLTQAHKL-KRWDZBQOSA-N 2 1 302.462 2.601 20 0 DFADMP O=C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000449810443 429516402 /nfs/dbraw/zinc/51/64/02/429516402.db2.gz LXVRZHUNBBCNHQ-BPQIPLTHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449810443 429516406 /nfs/dbraw/zinc/51/64/06/429516406.db2.gz LXVRZHUNBBCNHQ-BPQIPLTHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449810443 429516411 /nfs/dbraw/zinc/51/64/11/429516411.db2.gz LXVRZHUNBBCNHQ-BPQIPLTHSA-N 2 1 319.493 2.527 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)oc1C ZINC000366951984 429547954 /nfs/dbraw/zinc/54/79/54/429547954.db2.gz LDISOSGJENOCPX-UHFFFAOYSA-N 2 1 320.433 2.682 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]CCC(=O)NC2CCCCC2)c2ccccc21 ZINC000521423809 429551274 /nfs/dbraw/zinc/55/12/74/429551274.db2.gz VWDNOJBJVIBKHR-DLBZAZTESA-N 2 1 301.434 2.560 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000429026450 429574584 /nfs/dbraw/zinc/57/45/84/429574584.db2.gz YMVRPXKKTMPQTO-IBGZPJMESA-N 2 1 324.428 2.797 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C ZINC000429037260 429575521 /nfs/dbraw/zinc/57/55/21/429575521.db2.gz TYWQFZHKBHPXCW-PMUMKWKESA-N 2 1 317.477 2.869 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@@H](C)C2)c1C ZINC000429037260 429575526 /nfs/dbraw/zinc/57/55/26/429575526.db2.gz TYWQFZHKBHPXCW-PMUMKWKESA-N 2 1 317.477 2.869 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492608753 429577113 /nfs/dbraw/zinc/57/71/13/429577113.db2.gz MIDWOQKMDNORSI-CQSZACIVSA-N 2 1 313.486 2.704 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492608753 429577115 /nfs/dbraw/zinc/57/71/15/429577115.db2.gz MIDWOQKMDNORSI-CQSZACIVSA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2ccnn2C)CC1 ZINC000367119760 429581012 /nfs/dbraw/zinc/58/10/12/429581012.db2.gz CADSJZJWRDNKAR-QGZVFWFLSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000429159610 429583432 /nfs/dbraw/zinc/58/34/32/429583432.db2.gz FRBWQCSFPHDOLX-DUVNUKRYSA-N 2 1 323.868 2.529 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CCCC(=O)OC(C)(C)C)C2)CC1 ZINC000366890736 429535022 /nfs/dbraw/zinc/53/50/22/429535022.db2.gz ZXCSHSMZOIBKJW-UHFFFAOYSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CCCOCC(F)(F)F)C2)CC1 ZINC000366887871 429535509 /nfs/dbraw/zinc/53/55/09/429535509.db2.gz UNNZVFJKJSQXHU-UHFFFAOYSA-N 2 1 308.388 2.763 20 0 DFADMP C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936621 429540705 /nfs/dbraw/zinc/54/07/05/429540705.db2.gz DSLCWMALTBQIFE-RDJZCZTQSA-N 2 1 323.525 2.876 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000450456777 429631312 /nfs/dbraw/zinc/63/13/12/429631312.db2.gz UJVNCTXCWLKVAT-FQEVSTJZSA-N 2 1 315.505 2.782 20 0 DFADMP C[NH+](CCN1CC[C@@H](C[N@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000450456777 429631315 /nfs/dbraw/zinc/63/13/15/429631315.db2.gz UJVNCTXCWLKVAT-FQEVSTJZSA-N 2 1 315.505 2.782 20 0 DFADMP C[NH+](CCN1CC[C@@H](C[N@@H+](C)CC2CC2)C1)Cc1ccccc1 ZINC000450456777 429631317 /nfs/dbraw/zinc/63/13/17/429631317.db2.gz UJVNCTXCWLKVAT-FQEVSTJZSA-N 2 1 315.505 2.782 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOC[C@@H]2CCCO2)C1 ZINC000524991393 429642856 /nfs/dbraw/zinc/64/28/56/429642856.db2.gz WDYBNPMQMHNFEK-QRVBRYPASA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOC[C@@H]2CCCO2)C1 ZINC000524991393 429642864 /nfs/dbraw/zinc/64/28/64/429642864.db2.gz WDYBNPMQMHNFEK-QRVBRYPASA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOC[C@@H]2CCCO2)C1 ZINC000524991393 429642865 /nfs/dbraw/zinc/64/28/65/429642865.db2.gz WDYBNPMQMHNFEK-QRVBRYPASA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOC[C@@H]2CCCO2)C1 ZINC000524991393 429642870 /nfs/dbraw/zinc/64/28/70/429642870.db2.gz WDYBNPMQMHNFEK-QRVBRYPASA-N 2 1 324.509 2.768 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000450557933 429648748 /nfs/dbraw/zinc/64/87/48/429648748.db2.gz DHUNHPYLHMIWRR-MJGOQNOKSA-N 2 1 303.494 2.781 20 0 DFADMP CC[NH+]1CC[C@H](N(C)CC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000450557933 429648752 /nfs/dbraw/zinc/64/87/52/429648752.db2.gz DHUNHPYLHMIWRR-MJGOQNOKSA-N 2 1 303.494 2.781 20 0 DFADMP CC[NH+]1CC[C@H](N(C)CC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000450557933 429648758 /nfs/dbraw/zinc/64/87/58/429648758.db2.gz DHUNHPYLHMIWRR-MJGOQNOKSA-N 2 1 303.494 2.781 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000429247096 429590293 /nfs/dbraw/zinc/59/02/93/429590293.db2.gz QFORUAIZJQNDHA-UHFFFAOYSA-N 2 1 322.497 2.803 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N(C(C)C)C(C)C ZINC000429247096 429590295 /nfs/dbraw/zinc/59/02/95/429590295.db2.gz QFORUAIZJQNDHA-UHFFFAOYSA-N 2 1 322.497 2.803 20 0 DFADMP COCCCC[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000367264020 429607300 /nfs/dbraw/zinc/60/73/00/429607300.db2.gz IPHFYZZIBQKYRK-OAHLLOKOSA-N 2 1 323.506 2.856 20 0 DFADMP COCCCC[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000367264020 429607303 /nfs/dbraw/zinc/60/73/03/429607303.db2.gz IPHFYZZIBQKYRK-OAHLLOKOSA-N 2 1 323.506 2.856 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000429405729 429608356 /nfs/dbraw/zinc/60/83/56/429608356.db2.gz LWRADGRMQDDSIA-IYBDPMFKSA-N 2 1 317.477 2.741 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000429453797 429610289 /nfs/dbraw/zinc/61/02/89/429610289.db2.gz RWLPWJIGNWXAQO-LUKYLMHMSA-N 2 1 324.415 2.503 20 0 DFADMP CCN(CCC[N@H+]1CCC[C@H]([NH+](C)C)CC1)CC(F)(F)F ZINC000429536164 429614299 /nfs/dbraw/zinc/61/42/99/429614299.db2.gz JMRMLTXGZBGQGG-AWEZNQCLSA-N 2 1 309.420 2.677 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450599954 429659243 /nfs/dbraw/zinc/65/92/43/429659243.db2.gz MDMRZRBKBHHFAL-YJBOKZPZSA-N 2 1 301.434 2.678 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)[C@@H](C)c1ccccc1 ZINC000450599954 429659248 /nfs/dbraw/zinc/65/92/48/429659248.db2.gz MDMRZRBKBHHFAL-YJBOKZPZSA-N 2 1 301.434 2.678 20 0 DFADMP CN(CC[N@@H+](C)CCc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000450630425 429664025 /nfs/dbraw/zinc/66/40/25/429664025.db2.gz SKEDRGBGPDYRIY-UHFFFAOYSA-N 2 1 323.912 2.840 20 0 DFADMP CCC[N@H+](C[C@@H]1COc2ccccc2O1)C[C@H]1CCC[NH2+]C1 ZINC000262552898 276000583 /nfs/dbraw/zinc/00/05/83/276000583.db2.gz STHJBPVBWXNLGZ-JKSUJKDBSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367526031 429666081 /nfs/dbraw/zinc/66/60/81/429666081.db2.gz FTJDMFLJCNANBW-KZNAEPCWSA-N 2 1 318.461 2.709 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000353985555 276008814 /nfs/dbraw/zinc/00/88/14/276008814.db2.gz CXPCZEWCYDFVLH-OAHLLOKOSA-N 2 1 308.495 2.576 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000353985555 276008818 /nfs/dbraw/zinc/00/88/18/276008818.db2.gz CXPCZEWCYDFVLH-OAHLLOKOSA-N 2 1 308.495 2.576 20 0 DFADMP C[C@@H]1C[N@@H+](CCC2=CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450646462 429668444 /nfs/dbraw/zinc/66/84/44/429668444.db2.gz MVNPGORROPUJTM-IEBWSBKVSA-N 2 1 305.510 2.835 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000236883166 276043032 /nfs/dbraw/zinc/04/30/32/276043032.db2.gz RTAWEYJQIXRRMW-YJBOKZPZSA-N 2 1 317.477 2.805 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124616 429654744 /nfs/dbraw/zinc/65/47/44/429654744.db2.gz ASHAKJLOYSCAFJ-LJQANCHMSA-N 2 1 300.446 2.928 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124616 429654747 /nfs/dbraw/zinc/65/47/47/429654747.db2.gz ASHAKJLOYSCAFJ-LJQANCHMSA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124616 429654751 /nfs/dbraw/zinc/65/47/51/429654751.db2.gz ASHAKJLOYSCAFJ-LJQANCHMSA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc4c(c3)CC(C)(C)O4)C2)C1 ZINC000430124616 429654753 /nfs/dbraw/zinc/65/47/53/429654753.db2.gz ASHAKJLOYSCAFJ-LJQANCHMSA-N 2 1 300.446 2.928 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000262896424 276075976 /nfs/dbraw/zinc/07/59/76/276075976.db2.gz DCQFWTRDFZZNNA-HKUYNNGSSA-N 2 1 317.477 2.662 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000165612588 276228681 /nfs/dbraw/zinc/22/86/81/276228681.db2.gz SGTNZJZIYKLNJC-KDOFPFPSSA-N 2 1 303.450 2.507 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N2CCc3ccccc3C2)[C@H](C)C1 ZINC000247164735 276229439 /nfs/dbraw/zinc/22/94/39/276229439.db2.gz XZNSYDBVDMKYOI-UWVAXJGDSA-N 2 1 315.505 2.753 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000430553744 429690004 /nfs/dbraw/zinc/69/00/04/429690004.db2.gz LUZIGGPVGPLLEW-WRQOLXDDSA-N 2 1 311.514 2.621 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@@H](C)[C@H]1C ZINC000430553744 429690006 /nfs/dbraw/zinc/69/00/06/429690006.db2.gz LUZIGGPVGPLLEW-WRQOLXDDSA-N 2 1 311.514 2.621 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000367611161 429684861 /nfs/dbraw/zinc/68/48/61/429684861.db2.gz AMJWTZDAZSSYOS-FRYIKTPZSA-N 2 1 313.489 2.975 20 0 DFADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430561284 429691487 /nfs/dbraw/zinc/69/14/87/429691487.db2.gz ZSMUMVZMANGWOF-ZIAGYGMSSA-N 2 1 323.506 2.717 20 0 DFADMP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430561284 429691490 /nfs/dbraw/zinc/69/14/90/429691490.db2.gz ZSMUMVZMANGWOF-ZIAGYGMSSA-N 2 1 323.506 2.717 20 0 DFADMP CC[NH+](CC)CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000157677273 276321572 /nfs/dbraw/zinc/32/15/72/276321572.db2.gz GQUYINYUNNFHON-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000430573762 429694188 /nfs/dbraw/zinc/69/41/88/429694188.db2.gz HXKYFFLNRHURID-WBVHZDCISA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000430573762 429694192 /nfs/dbraw/zinc/69/41/92/429694192.db2.gz HXKYFFLNRHURID-WBVHZDCISA-N 2 1 309.498 2.522 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000111039366 276361781 /nfs/dbraw/zinc/36/17/81/276361781.db2.gz QJPJQZVDPCKGCZ-QGZVFWFLSA-N 2 1 309.498 2.633 20 0 DFADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430598455 429698075 /nfs/dbraw/zinc/69/80/75/429698075.db2.gz OHAWDOCKRSSKQU-SJLPKXTDSA-N 2 1 319.493 2.647 20 0 DFADMP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430598455 429698080 /nfs/dbraw/zinc/69/80/80/429698080.db2.gz OHAWDOCKRSSKQU-SJLPKXTDSA-N 2 1 319.493 2.647 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(-n3nc(C)cc3C)cc2)C1 ZINC000430659628 429707475 /nfs/dbraw/zinc/70/74/75/429707475.db2.gz BJQQWAXZJAZUPQ-SFHVURJKSA-N 2 1 312.461 2.921 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1cncn1Cc1ccccc1 ZINC000527076099 429720580 /nfs/dbraw/zinc/72/05/80/429720580.db2.gz PRVXPBBMBVNACV-UHFFFAOYSA-N 2 1 309.417 2.650 20 0 DFADMP CC(C)[C@H]1CC[C@@H](C)C[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482541100 429725475 /nfs/dbraw/zinc/72/54/75/429725475.db2.gz DRQSRPTWVWCOEI-TVFCKZIOSA-N 2 1 323.525 2.624 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430935771 429726827 /nfs/dbraw/zinc/72/68/27/429726827.db2.gz RIORCULDSOVLKO-GFCCVEGCSA-N 2 1 302.340 2.626 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430935771 429726832 /nfs/dbraw/zinc/72/68/32/429726832.db2.gz RIORCULDSOVLKO-GFCCVEGCSA-N 2 1 302.340 2.626 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC000482892838 429727958 /nfs/dbraw/zinc/72/79/58/429727958.db2.gz YSKGOBHORPZWPJ-BHIYHBOVSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000482892838 429727961 /nfs/dbraw/zinc/72/79/61/429727961.db2.gz YSKGOBHORPZWPJ-BHIYHBOVSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCC[N@H+]1CC1CCCCC1 ZINC000482892838 429727966 /nfs/dbraw/zinc/72/79/66/429727966.db2.gz YSKGOBHORPZWPJ-BHIYHBOVSA-N 2 1 307.526 2.961 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430967206 429732561 /nfs/dbraw/zinc/73/25/61/429732561.db2.gz RTMWVDNEQAGLNW-LBPRGKRZSA-N 2 1 302.340 2.626 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430967206 429732566 /nfs/dbraw/zinc/73/25/66/429732566.db2.gz RTMWVDNEQAGLNW-LBPRGKRZSA-N 2 1 302.340 2.626 20 0 DFADMP CCNC(=O)C[C@H]1CCCC[N@H+]1C[C@H]1CCCCN1C(C)C ZINC000450937524 429734201 /nfs/dbraw/zinc/73/42/01/429734201.db2.gz IAWASKRZZGMTSM-IAGOWNOFSA-N 2 1 309.498 2.630 20 0 DFADMP CCNC(=O)C[C@H]1CCCCN1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450937524 429734203 /nfs/dbraw/zinc/73/42/03/429734203.db2.gz IAWASKRZZGMTSM-IAGOWNOFSA-N 2 1 309.498 2.630 20 0 DFADMP CCNC(=O)C[C@H]1CCCCN1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450937524 429734209 /nfs/dbraw/zinc/73/42/09/429734209.db2.gz IAWASKRZZGMTSM-IAGOWNOFSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCc1cccc(F)c1 ZINC000367915141 429742326 /nfs/dbraw/zinc/74/23/26/429742326.db2.gz CIJRFNKIMULUNZ-CEXWTWQISA-N 2 1 320.452 2.942 20 0 DFADMP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1c1ccccc1 ZINC000431085274 429742740 /nfs/dbraw/zinc/74/27/40/429742740.db2.gz JLPRVDLZNRQQSO-UKRRQHHQSA-N 2 1 314.433 2.889 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@H]1c1ccccc1 ZINC000431085274 429742745 /nfs/dbraw/zinc/74/27/45/429742745.db2.gz JLPRVDLZNRQQSO-UKRRQHHQSA-N 2 1 314.433 2.889 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000368137203 429797598 /nfs/dbraw/zinc/79/75/98/429797598.db2.gz YEKDLIFLNZIHJS-MRXNPFEDSA-N 2 1 304.434 2.565 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC34CC(C3)CO4)CC2)cc1 ZINC000527791719 429798205 /nfs/dbraw/zinc/79/82/05/429798205.db2.gz VOQULNIZQNVVCN-UHFFFAOYSA-N 2 1 318.436 2.601 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)cn1 ZINC000432073534 429798234 /nfs/dbraw/zinc/79/82/34/429798234.db2.gz XAUOQFBALXLERA-HNNXBMFYSA-N 2 1 312.417 2.613 20 0 DFADMP COc1ccc(CN2CC[C@H](n3cnc4c3CCCC4)C2)cn1 ZINC000432073534 429798236 /nfs/dbraw/zinc/79/82/36/429798236.db2.gz XAUOQFBALXLERA-HNNXBMFYSA-N 2 1 312.417 2.613 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000432072978 429798310 /nfs/dbraw/zinc/79/83/10/429798310.db2.gz VBQYXLGSZDHILW-ZDUSSCGKSA-N 2 1 302.447 2.974 20 0 DFADMP Cc1nc2c(n1[C@H]1CCN(Cc3nccc(C)n3)C1)CCCC2 ZINC000432075887 429798472 /nfs/dbraw/zinc/79/84/72/429798472.db2.gz JWDPUHFCHCWDFV-HNNXBMFYSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@@H+](C[C@H]3CCCOC3)C1)CCCC2 ZINC000432081748 429799115 /nfs/dbraw/zinc/79/91/15/429799115.db2.gz RUOOZVSBIAYYQX-CVEARBPZSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H]3CCCOC3)C1)CCCC2 ZINC000432081748 429799118 /nfs/dbraw/zinc/79/91/18/429799118.db2.gz RUOOZVSBIAYYQX-CVEARBPZSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H]3CCCOC3)C1)CCCC2 ZINC000432081748 429799121 /nfs/dbraw/zinc/79/91/21/429799121.db2.gz RUOOZVSBIAYYQX-CVEARBPZSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H]3CCCCO3)C1)CCCC2 ZINC000432109115 429800345 /nfs/dbraw/zinc/80/03/45/429800345.db2.gz FRTJVNAJVSITGL-JKSUJKDBSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H]3CCCCO3)C1)CCCC2 ZINC000432109115 429800351 /nfs/dbraw/zinc/80/03/51/429800351.db2.gz FRTJVNAJVSITGL-JKSUJKDBSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC3CCOCC3)C1)CCCC2 ZINC000432111022 429802505 /nfs/dbraw/zinc/80/25/05/429802505.db2.gz JNMQXUSEBGIWQT-INIZCTEOSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC3CCOCC3)C1)CCCC2 ZINC000432111022 429802510 /nfs/dbraw/zinc/80/25/10/429802510.db2.gz JNMQXUSEBGIWQT-INIZCTEOSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCC(=O)OC(C)C)C1)CCCC2 ZINC000432117179 429803180 /nfs/dbraw/zinc/80/31/80/429803180.db2.gz PCRFHURUIMNJJN-OAHLLOKOSA-N 2 1 319.449 2.659 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCC(=O)OC(C)C)C1)CCCC2 ZINC000432117179 429803184 /nfs/dbraw/zinc/80/31/84/429803184.db2.gz PCRFHURUIMNJJN-OAHLLOKOSA-N 2 1 319.449 2.659 20 0 DFADMP CCCCC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000486812012 429751482 /nfs/dbraw/zinc/75/14/82/429751482.db2.gz YCKQFMMGCGHLIZ-KRWDZBQOSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2CCCc3[nH+]ccn32)c1 ZINC000367954441 429752422 /nfs/dbraw/zinc/75/24/22/429752422.db2.gz BPROWSVJKGVMRX-MRXNPFEDSA-N 2 1 312.417 2.769 20 0 DFADMP CCC[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000451047726 429755470 /nfs/dbraw/zinc/75/54/70/429755470.db2.gz IUTUADUBMJRWGJ-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000451047726 429755473 /nfs/dbraw/zinc/75/54/73/429755473.db2.gz IUTUADUBMJRWGJ-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000451047726 429755475 /nfs/dbraw/zinc/75/54/75/429755475.db2.gz IUTUADUBMJRWGJ-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000451047725 429756209 /nfs/dbraw/zinc/75/62/09/429756209.db2.gz IUTUADUBMJRWGJ-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000451047725 429756211 /nfs/dbraw/zinc/75/62/11/429756211.db2.gz IUTUADUBMJRWGJ-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP CCC[C@H](O)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000451047725 429756215 /nfs/dbraw/zinc/75/62/15/429756215.db2.gz IUTUADUBMJRWGJ-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc(C)c1O ZINC000368015607 429767087 /nfs/dbraw/zinc/76/70/87/429767087.db2.gz JFDSJCKZGJCPPP-KZNAEPCWSA-N 2 1 300.446 2.925 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc(C)c1O ZINC000368015607 429767092 /nfs/dbraw/zinc/76/70/92/429767092.db2.gz JFDSJCKZGJCPPP-KZNAEPCWSA-N 2 1 300.446 2.925 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc(C)c1O ZINC000368018203 429767831 /nfs/dbraw/zinc/76/78/31/429767831.db2.gz IZPSMOCEQCFEID-OKZBNKHCSA-N 2 1 318.461 2.693 20 0 DFADMP O=C(NCCC[NH+]1CCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431629665 429773805 /nfs/dbraw/zinc/77/38/05/429773805.db2.gz XTHLCAYAXOFNOW-SFHVURJKSA-N 2 1 321.509 2.776 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527691901 429779982 /nfs/dbraw/zinc/77/99/82/429779982.db2.gz LTZONZGLBWIMFI-QRVBRYPASA-N 2 1 302.462 2.759 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527691901 429779984 /nfs/dbraw/zinc/77/99/84/429779984.db2.gz LTZONZGLBWIMFI-QRVBRYPASA-N 2 1 302.462 2.759 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527691902 429780337 /nfs/dbraw/zinc/78/03/37/429780337.db2.gz LTZONZGLBWIMFI-QYZOEREBSA-N 2 1 302.462 2.759 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](c3ccccc3)CC2)C1 ZINC000527691902 429780339 /nfs/dbraw/zinc/78/03/39/429780339.db2.gz LTZONZGLBWIMFI-QYZOEREBSA-N 2 1 302.462 2.759 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000431861771 429787864 /nfs/dbraw/zinc/78/78/64/429787864.db2.gz VZMSAXCPJFUKPU-BPQIPLTHSA-N 2 1 317.477 2.621 20 0 DFADMP COc1ncc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000368103461 429789639 /nfs/dbraw/zinc/78/96/39/429789639.db2.gz VXEIDVYYVVTUSJ-MWLCHTKSSA-N 2 1 306.797 2.675 20 0 DFADMP COc1cccc(C[C@@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C2CC2)c1 ZINC000368103684 429789791 /nfs/dbraw/zinc/78/97/91/429789791.db2.gz XXDCHNMAAJXODD-MAUKXSAKSA-N 2 1 311.429 2.887 20 0 DFADMP Cc1c([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cnn1C(C)(C)C ZINC000368103530 429789943 /nfs/dbraw/zinc/78/99/43/429789943.db2.gz WQXNDIVZBOUKIF-YPMHNXCESA-N 2 1 301.438 2.878 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000493602781 429794247 /nfs/dbraw/zinc/79/42/47/429794247.db2.gz ORTDAWFPWSOPLK-NEPXVJNWSA-N 2 1 307.526 2.959 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000493602781 429794251 /nfs/dbraw/zinc/79/42/51/429794251.db2.gz ORTDAWFPWSOPLK-NEPXVJNWSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432419713 429822470 /nfs/dbraw/zinc/82/24/70/429822470.db2.gz FHTXHAZCGVHVDS-RXQRSOPUSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC(O)C1 ZINC000432419713 429822472 /nfs/dbraw/zinc/82/24/72/429822472.db2.gz FHTXHAZCGVHVDS-RXQRSOPUSA-N 2 1 302.462 2.648 20 0 DFADMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](C3CC3)CC2)OC)c1 ZINC000527931915 429823282 /nfs/dbraw/zinc/82/32/82/429823282.db2.gz XCERNBROPSFGSQ-GOSISDBHSA-N 2 1 304.434 2.599 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3COC3)[C@H]3CCC[C@@H]32)cc1 ZINC000528032313 429840708 /nfs/dbraw/zinc/84/07/08/429840708.db2.gz ZXFQHWGXTQFKAD-QYZOEREBSA-N 2 1 300.446 2.666 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3COC3)[C@H]3CCC[C@H]32)cc1 ZINC000528032310 429840947 /nfs/dbraw/zinc/84/09/47/429840947.db2.gz ZXFQHWGXTQFKAD-CEXWTWQISA-N 2 1 300.446 2.666 20 0 DFADMP Cc1cc(NC[C@H]2CC[N@H+]2C2CCCC2)nc(-c2ccncc2)n1 ZINC000528209284 429862125 /nfs/dbraw/zinc/86/21/25/429862125.db2.gz MNWKHBQMQQCPLO-QGZVFWFLSA-N 2 1 323.444 2.698 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2nc(C)sc2c1 ZINC000494331483 429867580 /nfs/dbraw/zinc/86/75/80/429867580.db2.gz PWHCKLAWEMVUMV-UHFFFAOYSA-N 2 1 307.463 2.663 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CC12CC2 ZINC000527861221 429812032 /nfs/dbraw/zinc/81/20/32/429812032.db2.gz CMKLEODQDZXSNW-GDAAHCPNSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CC12CC2 ZINC000527861221 429812034 /nfs/dbraw/zinc/81/20/34/429812034.db2.gz CMKLEODQDZXSNW-GDAAHCPNSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000368607581 429877444 /nfs/dbraw/zinc/87/74/44/429877444.db2.gz ILKNNSIPXULXHF-XXQMMXQMSA-N 2 1 302.462 2.961 20 0 DFADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000368607578 429877970 /nfs/dbraw/zinc/87/79/70/429877970.db2.gz ILKNNSIPXULXHF-DBDQLMEASA-N 2 1 302.462 2.961 20 0 DFADMP Clc1cccnc1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000528369436 429880755 /nfs/dbraw/zinc/88/07/55/429880755.db2.gz ZLXKNKZKXQHBCU-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(CO)ccc2F)CC1 ZINC000528371926 429881716 /nfs/dbraw/zinc/88/17/16/429881716.db2.gz LXZYCBFVWGGYML-UHFFFAOYSA-N 2 1 308.441 2.870 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000528431043 429888035 /nfs/dbraw/zinc/88/80/35/429888035.db2.gz LAYKRMVJNDVZSG-SFHVURJKSA-N 2 1 320.452 2.943 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000528431043 429888037 /nfs/dbraw/zinc/88/80/37/429888037.db2.gz LAYKRMVJNDVZSG-SFHVURJKSA-N 2 1 320.452 2.943 20 0 DFADMP C(CC[NH+]1CCO[C@H]2CCC[C@@H]21)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736151 429891128 /nfs/dbraw/zinc/89/11/28/429891128.db2.gz NHGVHQXZZAXYKL-CADBVGFASA-N 2 1 322.493 2.663 20 0 DFADMP C(CC[NH+]1CCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000368736151 429891130 /nfs/dbraw/zinc/89/11/30/429891130.db2.gz NHGVHQXZZAXYKL-CADBVGFASA-N 2 1 322.493 2.663 20 0 DFADMP C(CC[NH+]1CCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000368736151 429891132 /nfs/dbraw/zinc/89/11/32/429891132.db2.gz NHGVHQXZZAXYKL-CADBVGFASA-N 2 1 322.493 2.663 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000528507762 429894393 /nfs/dbraw/zinc/89/43/93/429894393.db2.gz USPNIQHDPZKGEF-SWDXFRIISA-N 2 1 320.452 2.940 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000528507762 429894394 /nfs/dbraw/zinc/89/43/94/429894394.db2.gz USPNIQHDPZKGEF-SWDXFRIISA-N 2 1 320.452 2.940 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000528507762 429894396 /nfs/dbraw/zinc/89/43/96/429894396.db2.gz USPNIQHDPZKGEF-SWDXFRIISA-N 2 1 320.452 2.940 20 0 DFADMP CO[C@H](CN1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000528511715 429895660 /nfs/dbraw/zinc/89/56/60/429895660.db2.gz HCZNKUYZSHENIG-QZTJIDSGSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2)c1ccc(F)cc1 ZINC000528511715 429895661 /nfs/dbraw/zinc/89/56/61/429895661.db2.gz HCZNKUYZSHENIG-QZTJIDSGSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)c1ccc(F)cc1 ZINC000528511715 429895665 /nfs/dbraw/zinc/89/56/65/429895665.db2.gz HCZNKUYZSHENIG-QZTJIDSGSA-N 2 1 306.425 2.931 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)cs1 ZINC000369004034 429907125 /nfs/dbraw/zinc/90/71/25/429907125.db2.gz XLYCAKZRVLFGEX-INIZCTEOSA-N 2 1 320.462 2.638 20 0 DFADMP Cc1nc(CO[C@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)cs1 ZINC000369004034 429907126 /nfs/dbraw/zinc/90/71/26/429907126.db2.gz XLYCAKZRVLFGEX-INIZCTEOSA-N 2 1 320.462 2.638 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC000369353291 429928936 /nfs/dbraw/zinc/92/89/36/429928936.db2.gz BXGYTPRHJFDRHS-ICSRJNTNSA-N 2 1 313.489 2.776 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745439 429911403 /nfs/dbraw/zinc/91/14/03/429911403.db2.gz PVOUMRDQRJMGDI-QZTJIDSGSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745439 429911405 /nfs/dbraw/zinc/91/14/05/429911405.db2.gz PVOUMRDQRJMGDI-QZTJIDSGSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745439 429911406 /nfs/dbraw/zinc/91/14/06/429911406.db2.gz PVOUMRDQRJMGDI-QZTJIDSGSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745439 429911408 /nfs/dbraw/zinc/91/14/08/429911408.db2.gz PVOUMRDQRJMGDI-QZTJIDSGSA-N 2 1 320.452 2.849 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC(F)(F)C[C@H]2C)CC1 ZINC000528768322 429914680 /nfs/dbraw/zinc/91/46/80/429914680.db2.gz JTSSBIKLDFERQC-OAHLLOKOSA-N 2 1 303.441 2.522 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000573101151 429926049 /nfs/dbraw/zinc/92/60/49/429926049.db2.gz INCNPXSZGNCGRZ-SFHVURJKSA-N 2 1 304.478 2.834 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000573610548 429965414 /nfs/dbraw/zinc/96/54/14/429965414.db2.gz OJUAHVRSYWMKCF-YQVWRLOYSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000573610548 429965416 /nfs/dbraw/zinc/96/54/16/429965416.db2.gz OJUAHVRSYWMKCF-YQVWRLOYSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000573610548 429965420 /nfs/dbraw/zinc/96/54/20/429965420.db2.gz OJUAHVRSYWMKCF-YQVWRLOYSA-N 2 1 303.494 2.968 20 0 DFADMP CCN(CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2)CC(F)(F)F ZINC000639757160 429971377 /nfs/dbraw/zinc/97/13/77/429971377.db2.gz HRRCXHTYTNNGRY-UHFFFAOYSA-N 2 1 321.431 2.678 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757389 429971499 /nfs/dbraw/zinc/97/14/99/429971499.db2.gz KROMRQYYQPCSLF-UHFFFAOYSA-N 2 1 315.461 2.605 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757119 429971569 /nfs/dbraw/zinc/97/15/69/429971569.db2.gz GDJDDLKDZLEIIG-UHFFFAOYSA-N 2 1 315.461 2.660 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c(C)c1OC ZINC000558423522 429972131 /nfs/dbraw/zinc/97/21/31/429972131.db2.gz MGPGFIXQKYLENM-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)c(C)c1OC ZINC000558423522 429972137 /nfs/dbraw/zinc/97/21/37/429972137.db2.gz MGPGFIXQKYLENM-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c(C)c1OC ZINC000558423522 429972143 /nfs/dbraw/zinc/97/21/43/429972143.db2.gz MGPGFIXQKYLENM-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c(C)c1OC ZINC000558423521 429972429 /nfs/dbraw/zinc/97/24/29/429972429.db2.gz MGPGFIXQKYLENM-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)c(C)c1OC ZINC000558423521 429972433 /nfs/dbraw/zinc/97/24/33/429972433.db2.gz MGPGFIXQKYLENM-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c(C)c1OC ZINC000558423521 429972438 /nfs/dbraw/zinc/97/24/38/429972438.db2.gz MGPGFIXQKYLENM-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP C[NH+](C)C[C@]1(O)CCC[N@@H+](CC2CCC(C(F)(F)F)CC2)C1 ZINC000639761346 429972507 /nfs/dbraw/zinc/97/25/07/429972507.db2.gz ASHYOKREOHQUBZ-YMAMQOFZSA-N 2 1 322.415 2.744 20 0 DFADMP CCc1[nH+]c2ccccc2c(N(C)CC[NH+]2CCOCC2)c1C ZINC000558482644 429975415 /nfs/dbraw/zinc/97/54/15/429975415.db2.gz UHHFGCYWAFGKRO-UHFFFAOYSA-N 2 1 313.445 2.874 20 0 DFADMP [NH3+][C@H]1CCC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000573741395 429978652 /nfs/dbraw/zinc/97/86/52/429978652.db2.gz IBUMLCHQJKIWEG-HESLUPGFSA-N 2 1 319.415 2.651 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@]2(O)CCN(Cc3ccccc3)C2)CCC1(F)F ZINC000639646887 429929592 /nfs/dbraw/zinc/92/95/92/429929592.db2.gz VIBUXIXXOMFEFG-NVXWUHKLSA-N 2 1 324.415 2.601 20 0 DFADMP C[C@@H]1CN(C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639646887 429929596 /nfs/dbraw/zinc/92/95/96/429929596.db2.gz VIBUXIXXOMFEFG-NVXWUHKLSA-N 2 1 324.415 2.601 20 0 DFADMP C[C@@H]1CN(C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639646887 429929598 /nfs/dbraw/zinc/92/95/98/429929598.db2.gz VIBUXIXXOMFEFG-NVXWUHKLSA-N 2 1 324.415 2.601 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@]2(O)CCN(Cc3ccccc3)C2)CCC1(F)F ZINC000639646892 429929910 /nfs/dbraw/zinc/92/99/10/429929910.db2.gz VIBUXIXXOMFEFG-WBVHZDCISA-N 2 1 324.415 2.601 20 0 DFADMP C[C@@H]1CN(C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639646892 429929913 /nfs/dbraw/zinc/92/99/13/429929913.db2.gz VIBUXIXXOMFEFG-WBVHZDCISA-N 2 1 324.415 2.601 20 0 DFADMP C[C@@H]1CN(C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CCC1(F)F ZINC000639646892 429929916 /nfs/dbraw/zinc/92/99/16/429929916.db2.gz VIBUXIXXOMFEFG-WBVHZDCISA-N 2 1 324.415 2.601 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639657189 429933436 /nfs/dbraw/zinc/93/34/36/429933436.db2.gz WJONYQLJCIAZTI-LJQANCHMSA-N 2 1 300.446 2.677 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639657189 429933438 /nfs/dbraw/zinc/93/34/38/429933438.db2.gz WJONYQLJCIAZTI-LJQANCHMSA-N 2 1 300.446 2.677 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc4c3CCOC4)C2)C1 ZINC000639657189 429933441 /nfs/dbraw/zinc/93/34/41/429933441.db2.gz WJONYQLJCIAZTI-LJQANCHMSA-N 2 1 300.446 2.677 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2C[C@H]3C[C@H](Cn4c(=O)cccc43)C2)c(C)n1 ZINC000639658956 429937354 /nfs/dbraw/zinc/93/73/54/429937354.db2.gz MJUVCNXBYOHPRJ-DLBZAZTESA-N 2 1 323.440 2.788 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639681847 429944132 /nfs/dbraw/zinc/94/41/32/429944132.db2.gz FRBJWDQVYPGQSC-UHFFFAOYSA-N 2 1 324.428 2.541 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639681847 429944133 /nfs/dbraw/zinc/94/41/33/429944133.db2.gz FRBJWDQVYPGQSC-UHFFFAOYSA-N 2 1 324.428 2.541 20 0 DFADMP c1cc(N2CCC[N@H+](CCCC3CCOCC3)CC2)cc[nH+]1 ZINC000639682828 429945020 /nfs/dbraw/zinc/94/50/20/429945020.db2.gz AMJHCXNYVCTDPE-UHFFFAOYSA-N 2 1 303.450 2.801 20 0 DFADMP Clc1cncc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639685507 429946452 /nfs/dbraw/zinc/94/64/52/429946452.db2.gz UCRMCHNKIUILRV-UHFFFAOYSA-N 2 1 302.809 2.842 20 0 DFADMP c1ccc2c(c1)O[C@@H](C[NH2+]C1CC[NH+](C3CC3)CC1)CS2 ZINC000573369911 429948877 /nfs/dbraw/zinc/94/88/77/429948877.db2.gz QYQQAFKXQXFDRE-HNNXBMFYSA-N 2 1 304.459 2.756 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000574322195 430031313 /nfs/dbraw/zinc/03/13/13/430031313.db2.gz RCCUCPXHOXVDTB-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574322195 430031318 /nfs/dbraw/zinc/03/13/18/430031318.db2.gz RCCUCPXHOXVDTB-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000574322195 430031321 /nfs/dbraw/zinc/03/13/21/430031321.db2.gz RCCUCPXHOXVDTB-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCn3cccn3)C2)s1 ZINC000574320008 430031367 /nfs/dbraw/zinc/03/13/67/430031367.db2.gz HVYCYWJNXXGJEY-INIZCTEOSA-N 2 1 318.490 2.707 20 0 DFADMP CC(C)CCNC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560336481 430032084 /nfs/dbraw/zinc/03/20/84/430032084.db2.gz HYNMICLKPSDVKO-MRXNPFEDSA-N 2 1 311.514 2.589 20 0 DFADMP CN(C)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000639805953 429987707 /nfs/dbraw/zinc/98/77/07/429987707.db2.gz OOODYGWISWDTQN-IBGZPJMESA-N 2 1 301.478 2.808 20 0 DFADMP CN(C)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000639805953 429987711 /nfs/dbraw/zinc/98/77/11/429987711.db2.gz OOODYGWISWDTQN-IBGZPJMESA-N 2 1 301.478 2.808 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000573982458 430000598 /nfs/dbraw/zinc/00/05/98/430000598.db2.gz DENUWSWGAGUGCX-RYUDHWBXSA-N 2 1 324.266 2.979 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000573982458 430000603 /nfs/dbraw/zinc/00/06/03/430000603.db2.gz DENUWSWGAGUGCX-RYUDHWBXSA-N 2 1 324.266 2.979 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919296 430022914 /nfs/dbraw/zinc/02/29/14/430022914.db2.gz QFYGAPPCXPLMGL-CABCVRRESA-N 2 1 316.367 2.813 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639919296 430022916 /nfs/dbraw/zinc/02/29/16/430022916.db2.gz QFYGAPPCXPLMGL-CABCVRRESA-N 2 1 316.367 2.813 20 0 DFADMP C[N@@H+]1CCC[C@H]1CN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917537 430023785 /nfs/dbraw/zinc/02/37/85/430023785.db2.gz HJMGFPOCQCBSGA-SWLSCSKDSA-N 2 1 300.805 2.586 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917537 430023790 /nfs/dbraw/zinc/02/37/90/430023790.db2.gz HJMGFPOCQCBSGA-SWLSCSKDSA-N 2 1 300.805 2.586 20 0 DFADMP COc1cc2c(c(C[NH2+][C@H]3CC[NH2+]CC(C)(C)C3)c1)O[C@H](C)C2 ZINC000634732194 430092931 /nfs/dbraw/zinc/09/29/31/430092931.db2.gz AKQMICUYQSJDFM-CJNGLKHVSA-N 2 1 318.461 2.886 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634746497 430099277 /nfs/dbraw/zinc/09/92/77/430099277.db2.gz YVGYTAIMDHSAFD-HDICACEKSA-N 2 1 302.462 2.723 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2COC[C@@H]2C1 ZINC000634746497 430099280 /nfs/dbraw/zinc/09/92/80/430099280.db2.gz YVGYTAIMDHSAFD-HDICACEKSA-N 2 1 302.462 2.723 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634746497 430099284 /nfs/dbraw/zinc/09/92/84/430099284.db2.gz YVGYTAIMDHSAFD-HDICACEKSA-N 2 1 302.462 2.723 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634746497 430099288 /nfs/dbraw/zinc/09/92/88/430099288.db2.gz YVGYTAIMDHSAFD-HDICACEKSA-N 2 1 302.462 2.723 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000530221069 430104923 /nfs/dbraw/zinc/10/49/23/430104923.db2.gz CEKRZFYPQNGJBE-BPQIPLTHSA-N 2 1 306.425 2.977 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000530220933 430106215 /nfs/dbraw/zinc/10/62/15/430106215.db2.gz KQQYHZKVSOUBDV-UHOSZYNNSA-N 2 1 320.452 2.847 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000530354790 430113434 /nfs/dbraw/zinc/11/34/34/430113434.db2.gz BFSMLIMBYLOMGW-FUHWJXTLSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000530354790 430113437 /nfs/dbraw/zinc/11/34/37/430113437.db2.gz BFSMLIMBYLOMGW-FUHWJXTLSA-N 2 1 312.461 2.605 20 0 DFADMP Cn1ccnc1-c1cccc(NC(=O)C[N@H+]2CCC(C)(C)C2)c1 ZINC000561165479 430079499 /nfs/dbraw/zinc/07/94/99/430079499.db2.gz HWGGLJLOPNQDLL-UHFFFAOYSA-N 2 1 312.417 2.758 20 0 DFADMP Cn1ccnc1-c1cccc(NC(=O)CN2CCC(C)(C)C2)c1 ZINC000561165479 430079506 /nfs/dbraw/zinc/07/95/06/430079506.db2.gz HWGGLJLOPNQDLL-UHFFFAOYSA-N 2 1 312.417 2.758 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]CC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000580769672 430150558 /nfs/dbraw/zinc/15/05/58/430150558.db2.gz ZNUIQQRHVSCVTH-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cnccn4)C3)CC2)cc1 ZINC000562687258 430167433 /nfs/dbraw/zinc/16/74/33/430167433.db2.gz MSNNIYGRPVPXMY-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP c1cc2c(s1)CCN(CCNc1cc(NC3CC3)ncn1)C2 ZINC000562721098 430172677 /nfs/dbraw/zinc/17/26/77/430172677.db2.gz CGKQCIUZHZUIPM-UHFFFAOYSA-N 2 1 315.446 2.583 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)Cn2cc[nH+]c2C(C)C)c1 ZINC000637808936 430135336 /nfs/dbraw/zinc/13/53/36/430135336.db2.gz MWTROMNVSOOGLR-UHFFFAOYSA-N 2 1 300.406 2.755 20 0 DFADMP c1cnc2cc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)ccc2n1 ZINC000634987505 430184510 /nfs/dbraw/zinc/18/45/10/430184510.db2.gz WQPIPVRDZVBVIA-QGZVFWFLSA-N 2 1 310.445 2.841 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1 ZINC000246965012 277051640 /nfs/dbraw/zinc/05/16/40/277051640.db2.gz JBIBMBBEMSGSJJ-SFHVURJKSA-N 2 1 321.896 2.945 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000131803412 277075493 /nfs/dbraw/zinc/07/54/93/277075493.db2.gz IURBDNHQCJANIT-AYHJJNSGSA-N 2 1 301.434 2.750 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000581202464 430188437 /nfs/dbraw/zinc/18/84/37/430188437.db2.gz XFIXSKHOPQUTIS-SJORKVTESA-N 2 1 303.450 2.634 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000581202464 430188441 /nfs/dbraw/zinc/18/84/41/430188441.db2.gz XFIXSKHOPQUTIS-SJORKVTESA-N 2 1 303.450 2.634 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634999161 430189991 /nfs/dbraw/zinc/18/99/91/430189991.db2.gz QUKWPTMCBLZQCN-KDOFPFPSSA-N 2 1 311.429 2.784 20 0 DFADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532627 430191601 /nfs/dbraw/zinc/19/16/01/430191601.db2.gz UNXNFMGMLJTVAF-QZTJIDSGSA-N 2 1 323.525 2.974 20 0 DFADMP c1cc(CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635003799 430191715 /nfs/dbraw/zinc/19/17/15/430191715.db2.gz LRZGFUXLBBLMJK-VAMGGRTRSA-N 2 1 313.489 2.733 20 0 DFADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1F ZINC000640531731 430192755 /nfs/dbraw/zinc/19/27/55/430192755.db2.gz PPVBEIAYZXRZLS-UHFFFAOYSA-N 2 1 321.440 2.962 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1F ZINC000640531731 430192760 /nfs/dbraw/zinc/19/27/60/430192760.db2.gz PPVBEIAYZXRZLS-UHFFFAOYSA-N 2 1 321.440 2.962 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc(=O)[nH]c(C2CC2)n1 ZINC000640534734 430193547 /nfs/dbraw/zinc/19/35/47/430193547.db2.gz UCGSTHHVVQYHCH-UHFFFAOYSA-N 2 1 318.465 2.758 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635004503 430193824 /nfs/dbraw/zinc/19/38/24/430193824.db2.gz FFCVXDRXSFIGSB-NEWSRXKRSA-N 3 1 303.494 2.847 20 0 DFADMP COc1ccc([C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000635004425 430194115 /nfs/dbraw/zinc/19/41/15/430194115.db2.gz IPUIHNJGAAPNDW-YCEFEEMOSA-N 3 1 317.477 2.595 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)c2nc(C)nc3c2CCCC3)[C@@H](C)C1 ZINC000542020211 430200665 /nfs/dbraw/zinc/20/06/65/430200665.db2.gz UJWJUIHSWIMMQT-GUYCJALGSA-N 2 1 302.466 2.830 20 0 DFADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134909603 277176645 /nfs/dbraw/zinc/17/66/45/277176645.db2.gz KCYDMNDMBOWMHP-ZBFHGGJFSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134909603 277176646 /nfs/dbraw/zinc/17/66/46/277176646.db2.gz KCYDMNDMBOWMHP-ZBFHGGJFSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134909603 277176647 /nfs/dbraw/zinc/17/66/47/277176647.db2.gz KCYDMNDMBOWMHP-ZBFHGGJFSA-N 2 1 308.466 2.667 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000581373097 430201715 /nfs/dbraw/zinc/20/17/15/430201715.db2.gz JIXKXIRMHBUSLF-YWEYNIOJSA-N 2 1 314.473 2.916 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635011650 430195337 /nfs/dbraw/zinc/19/53/37/430195337.db2.gz GCBZIFJJCQMJTK-WDSOQIARSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH2+]CC[C@@H]3C)C2)cc1 ZINC000635011650 430195341 /nfs/dbraw/zinc/19/53/41/430195341.db2.gz GCBZIFJJCQMJTK-WDSOQIARSA-N 2 1 301.478 2.547 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]CCC(=O)Nc1cccnc1 ZINC000581305359 430197639 /nfs/dbraw/zinc/19/76/39/430197639.db2.gz FESMXAUWJPELST-MRXNPFEDSA-N 2 1 318.465 2.654 20 0 DFADMP Cc1nn(-c2ccncc2)cc1CN(C)Cc1cccc(O)c1 ZINC000542466398 430211961 /nfs/dbraw/zinc/21/19/61/430211961.db2.gz IJQCCNJWEDOTHK-UHFFFAOYSA-N 2 1 308.385 2.913 20 0 DFADMP C[C@H](C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000635117072 430211959 /nfs/dbraw/zinc/21/19/59/430211959.db2.gz OJLLHZJCZJEMIX-CJNGLKHVSA-N 2 1 323.868 2.543 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000581575143 430221158 /nfs/dbraw/zinc/22/11/58/430221158.db2.gz DFAFNMGMKLNLBC-RDJZCZTQSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000581575143 430221160 /nfs/dbraw/zinc/22/11/60/430221160.db2.gz DFAFNMGMKLNLBC-RDJZCZTQSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000581575143 430221168 /nfs/dbraw/zinc/22/11/68/430221168.db2.gz DFAFNMGMKLNLBC-RDJZCZTQSA-N 2 1 318.461 2.928 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000565747672 430224144 /nfs/dbraw/zinc/22/41/44/430224144.db2.gz OVSVPLYTRXKBRT-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000638061988 430224532 /nfs/dbraw/zinc/22/45/32/430224532.db2.gz BUKNDYVJTWSQRV-LSDHHAIUSA-N 2 1 303.450 2.998 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000581603650 430224681 /nfs/dbraw/zinc/22/46/81/430224681.db2.gz LENNIKWKHPRJIG-GFCCVEGCSA-N 2 1 323.387 2.533 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000566163409 430245474 /nfs/dbraw/zinc/24/54/74/430245474.db2.gz ZCLPXGYOKQBCDC-RYRKJORJSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000635303910 430249181 /nfs/dbraw/zinc/24/91/81/430249181.db2.gz PIWXWJYUDUWNEW-HZPDHXFCSA-N 2 1 317.477 2.627 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccnn1CC1CCC1 ZINC000638146486 430250340 /nfs/dbraw/zinc/25/03/40/430250340.db2.gz OXNGUEIMUHVEQT-QGZVFWFLSA-N 2 1 313.449 2.853 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccnn1CC1CCC1 ZINC000638146486 430250346 /nfs/dbraw/zinc/25/03/46/430250346.db2.gz OXNGUEIMUHVEQT-QGZVFWFLSA-N 2 1 313.449 2.853 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2csc(Nc3ccccc3)n2)CC1 ZINC000566356321 430253471 /nfs/dbraw/zinc/25/34/71/430253471.db2.gz UUZONLHQAXVORK-UHFFFAOYSA-N 2 1 316.474 3.448 20 0 DFADMP CC1CC[NH+](CCCCNC(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635347361 430256936 /nfs/dbraw/zinc/25/69/36/430256936.db2.gz YQNMYVKVAIZYII-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CC[C@@](C)(O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582061940 430266098 /nfs/dbraw/zinc/26/60/98/430266098.db2.gz GZYOCXHTDVCKBX-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582061940 430266100 /nfs/dbraw/zinc/26/61/00/430266100.db2.gz GZYOCXHTDVCKBX-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)Cc3ccsc3)C2)CC1 ZINC000544023978 430269764 /nfs/dbraw/zinc/26/97/64/430269764.db2.gz QBVLYEGWSGDOIN-FUHWJXTLSA-N 2 1 321.534 2.779 20 0 DFADMP Cn1cc([C@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(C)(C)C)cn1 ZINC000544017901 430270351 /nfs/dbraw/zinc/27/03/51/430270351.db2.gz MVKIRYYNCQAOPC-KRWDZBQOSA-N 2 1 304.482 2.971 20 0 DFADMP C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@@H+](C)C(C)(C)C)CC1 ZINC000582179650 430276476 /nfs/dbraw/zinc/27/64/76/430276476.db2.gz PNPSFACFAHQCTR-INIZCTEOSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[N@@H+](C)C(C)(C)C)CC1 ZINC000582179650 430276484 /nfs/dbraw/zinc/27/64/84/430276484.db2.gz PNPSFACFAHQCTR-INIZCTEOSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnc(-c2ccccn2)s1 ZINC000582268868 430282920 /nfs/dbraw/zinc/28/29/20/430282920.db2.gz GXCNTZVIHADVNJ-BBRMVZONSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000582268868 430282924 /nfs/dbraw/zinc/28/29/24/430282924.db2.gz GXCNTZVIHADVNJ-BBRMVZONSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000582268868 430282930 /nfs/dbraw/zinc/28/29/30/430282930.db2.gz GXCNTZVIHADVNJ-BBRMVZONSA-N 2 1 316.474 2.977 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000638083894 430230203 /nfs/dbraw/zinc/23/02/03/430230203.db2.gz OWMQUSLYEAEOGA-JQHSSLGASA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000581735435 430237040 /nfs/dbraw/zinc/23/70/40/430237040.db2.gz QEBJUNJXUIMDKU-MLGOLLRUSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000581735435 430237045 /nfs/dbraw/zinc/23/70/45/430237045.db2.gz QEBJUNJXUIMDKU-MLGOLLRUSA-N 2 1 323.868 2.542 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c1 ZINC000635253101 430240201 /nfs/dbraw/zinc/24/02/01/430240201.db2.gz FUCVZSZNWTYVLI-MRXNPFEDSA-N 2 1 303.450 2.809 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308869 430289407 /nfs/dbraw/zinc/28/94/07/430289407.db2.gz AQCXHUUDBPZQPO-SWLSCSKDSA-N 2 1 304.825 2.837 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308869 430289410 /nfs/dbraw/zinc/28/94/10/430289410.db2.gz AQCXHUUDBPZQPO-SWLSCSKDSA-N 2 1 304.825 2.837 20 0 DFADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC[N@@H+](C)C1CCCCC1 ZINC000638299935 430297588 /nfs/dbraw/zinc/29/75/88/430297588.db2.gz FOPZCCVVSPPGJR-JKSUJKDBSA-N 2 1 309.498 2.678 20 0 DFADMP CC[C@H](C)[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)OC ZINC000638304348 430298685 /nfs/dbraw/zinc/29/86/85/430298685.db2.gz FWOAHCQRRZACHL-LPHOPBHVSA-N 2 1 320.477 2.670 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCCC[NH2+]2)C1 ZINC000567985719 430302364 /nfs/dbraw/zinc/30/23/64/430302364.db2.gz NZAGQLHWUKOTGC-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c(C[NH+](C)C)c1 ZINC000635565966 430307864 /nfs/dbraw/zinc/30/78/64/430307864.db2.gz HUBDLCCRTPUDLD-UHFFFAOYSA-N 2 1 305.466 2.973 20 0 DFADMP CN1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)Cc2ccccc21 ZINC000568050958 430308324 /nfs/dbraw/zinc/30/83/24/430308324.db2.gz OYBYDBBTLCDOJF-UHFFFAOYSA-N 2 1 307.441 2.784 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCC[C@H]3CCO3)CC2)cc1 ZINC000638344568 430310085 /nfs/dbraw/zinc/31/00/85/430310085.db2.gz OHUWVIDHKUGUBY-IBGZPJMESA-N 2 1 302.462 2.852 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000568107503 430318107 /nfs/dbraw/zinc/31/81/07/430318107.db2.gz OXSJNEKHJYCUQE-OTWHNJEPSA-N 2 1 301.478 2.991 20 0 DFADMP CO[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000638366568 430319450 /nfs/dbraw/zinc/31/94/50/430319450.db2.gz OJUYVPIGCWOOIC-WMZOPIPTSA-N 2 1 312.498 2.530 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000568107505 430319467 /nfs/dbraw/zinc/31/94/67/430319467.db2.gz OXSJNEKHJYCUQE-QYZOEREBSA-N 2 1 301.478 2.991 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)[C@@H](C)C1 ZINC000635603098 430319853 /nfs/dbraw/zinc/31/98/53/430319853.db2.gz LXOZJCIIOYURCL-ULQDDVLXSA-N 2 1 320.481 2.659 20 0 DFADMP C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638369945 430320270 /nfs/dbraw/zinc/32/02/70/430320270.db2.gz JPCMSJXACAKLMM-XWTMOSNGSA-N 2 1 323.525 2.781 20 0 DFADMP OCCCCOc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000638376753 430321936 /nfs/dbraw/zinc/32/19/36/430321936.db2.gz LOGVYNNFCCTNKY-ZWKOTPCHSA-N 2 1 318.461 2.554 20 0 DFADMP OCCCCOc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000638376753 430321937 /nfs/dbraw/zinc/32/19/37/430321937.db2.gz LOGVYNNFCCTNKY-ZWKOTPCHSA-N 2 1 318.461 2.554 20 0 DFADMP COC[C@H](C)C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582757240 430329521 /nfs/dbraw/zinc/32/95/21/430329521.db2.gz DCSCCYOEZHHVPY-NZSAHSFTSA-N 2 1 302.462 2.723 20 0 DFADMP COC[C@H](C)C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582757240 430329524 /nfs/dbraw/zinc/32/95/24/430329524.db2.gz DCSCCYOEZHHVPY-NZSAHSFTSA-N 2 1 302.462 2.723 20 0 DFADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638398440 430330917 /nfs/dbraw/zinc/33/09/17/430330917.db2.gz ZIYQZHNUHRGMSQ-QUCCMNQESA-N 2 1 324.472 2.920 20 0 DFADMP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)cn1 ZINC000638398440 430330921 /nfs/dbraw/zinc/33/09/21/430330921.db2.gz ZIYQZHNUHRGMSQ-QUCCMNQESA-N 2 1 324.472 2.920 20 0 DFADMP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638401525 430331518 /nfs/dbraw/zinc/33/15/18/430331518.db2.gz CLRZDQMERWVPBR-OAHLLOKOSA-N 2 1 323.868 2.500 20 0 DFADMP CN(CC(C)(C)[NH3+])C(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638401525 430331522 /nfs/dbraw/zinc/33/15/22/430331522.db2.gz CLRZDQMERWVPBR-OAHLLOKOSA-N 2 1 323.868 2.500 20 0 DFADMP COCCOCC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638417389 430335972 /nfs/dbraw/zinc/33/59/72/430335972.db2.gz FTMOBQCYSQBZFU-IEBWSBKVSA-N 2 1 318.461 2.607 20 0 DFADMP COCCOCC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638417389 430335974 /nfs/dbraw/zinc/33/59/74/430335974.db2.gz FTMOBQCYSQBZFU-IEBWSBKVSA-N 2 1 318.461 2.607 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641168383 430351309 /nfs/dbraw/zinc/35/13/09/430351309.db2.gz DDXSJFRCIRXVKJ-KRWDZBQOSA-N 2 1 305.470 2.573 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CCC[C@H]3CCO3)c2)CCO1 ZINC000638421480 430337753 /nfs/dbraw/zinc/33/77/53/430337753.db2.gz WNFBZIZMHVSTNI-LPHOPBHVSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC[C@H]3CCO3)c2)CCO1 ZINC000638421480 430337758 /nfs/dbraw/zinc/33/77/58/430337758.db2.gz WNFBZIZMHVSTNI-LPHOPBHVSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1cnc(C)nc1NC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccs1 ZINC000568248949 430338282 /nfs/dbraw/zinc/33/82/82/430338282.db2.gz BPVKFMLVCVQBEL-KBPBESRZSA-N 2 1 320.437 3.179 20 0 DFADMP Cc1cnc(C)nc1NC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccs1 ZINC000568248949 430338284 /nfs/dbraw/zinc/33/82/84/430338284.db2.gz BPVKFMLVCVQBEL-KBPBESRZSA-N 2 1 320.437 3.179 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)c2ccccc21 ZINC000582899380 430345008 /nfs/dbraw/zinc/34/50/08/430345008.db2.gz ZVNZLNPOIOSONT-IAGOWNOFSA-N 2 1 301.434 2.514 20 0 DFADMP CC(C)O[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](OC(C)C)C2)C1 ZINC000583628432 430413639 /nfs/dbraw/zinc/41/36/39/430413639.db2.gz BYUGWOUKTPCCHA-QZTJIDSGSA-N 2 1 312.498 2.765 20 0 DFADMP C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547731741 430416629 /nfs/dbraw/zinc/41/66/29/430416629.db2.gz DIJLAQABUSCHSW-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP CSc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000582971356 430353105 /nfs/dbraw/zinc/35/31/05/430353105.db2.gz YIIRJSJVQPPHOR-CYBMUJFWSA-N 2 1 321.490 2.796 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000583018720 430356032 /nfs/dbraw/zinc/35/60/32/430356032.db2.gz JXNFQMVRULRSHJ-FGTMMUONSA-N 2 1 318.461 2.912 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000638488884 430356598 /nfs/dbraw/zinc/35/65/98/430356598.db2.gz XHXSGQINEDEYHX-KRWDZBQOSA-N 2 1 318.461 2.725 20 0 DFADMP [NH3+]CCCCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000583083483 430362343 /nfs/dbraw/zinc/36/23/43/430362343.db2.gz RDOFPUPXNCPCRJ-UHFFFAOYSA-N 2 1 323.868 2.503 20 0 DFADMP [NH3+]CCCCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000583083483 430362344 /nfs/dbraw/zinc/36/23/44/430362344.db2.gz RDOFPUPXNCPCRJ-UHFFFAOYSA-N 2 1 323.868 2.503 20 0 DFADMP CN(CCC[NH+]1CCCC1)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546693164 430364816 /nfs/dbraw/zinc/36/48/16/430364816.db2.gz NJNUMBNFJQCOSY-UHFFFAOYSA-N 2 1 309.498 2.585 20 0 DFADMP CCOc1ccc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000638523098 430365890 /nfs/dbraw/zinc/36/58/90/430365890.db2.gz BVONHQLNZMDJHS-UHFFFAOYSA-N 2 1 324.440 2.549 20 0 DFADMP CC[C@](C)(C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521996 430366241 /nfs/dbraw/zinc/36/62/41/430366241.db2.gz TXZRSUVRBHRUSQ-RTBURBONSA-N 2 1 304.478 2.956 20 0 DFADMP CC[C@@](C)(C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521993 430367396 /nfs/dbraw/zinc/36/73/96/430367396.db2.gz TXZRSUVRBHRUSQ-MOPGFXCFSA-N 2 1 304.478 2.956 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CC3(F)F)C2)nc(C)[nH+]1 ZINC000638532981 430370304 /nfs/dbraw/zinc/37/03/04/430370304.db2.gz PPYYTLYUMSFQHS-XBFCOCLRSA-N 2 1 310.392 2.696 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)Cc2ccccc2C1 ZINC000568618468 430376790 /nfs/dbraw/zinc/37/67/90/430376790.db2.gz JMUIGMSPNJQYCF-UXHICEINSA-N 2 1 322.452 2.599 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638566404 430378119 /nfs/dbraw/zinc/37/81/19/430378119.db2.gz HXFGJFIXCNTEAQ-BRWVUGGUSA-N 2 1 309.498 2.678 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000638566404 430378122 /nfs/dbraw/zinc/37/81/22/430378122.db2.gz HXFGJFIXCNTEAQ-BRWVUGGUSA-N 2 1 309.498 2.678 20 0 DFADMP C[NH+](C)CCc1ccccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635836840 430389243 /nfs/dbraw/zinc/38/92/43/430389243.db2.gz YTAOLZDNLZEIAX-UHFFFAOYSA-N 2 1 305.466 2.707 20 0 DFADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635834449 430389579 /nfs/dbraw/zinc/38/95/79/430389579.db2.gz FGCGISWFTUQBRG-SFHVURJKSA-N 2 1 315.461 2.746 20 0 DFADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000635851139 430392933 /nfs/dbraw/zinc/39/29/33/430392933.db2.gz RDTZYOUKQVMHLQ-RYQLBKOJSA-N 2 1 317.477 2.587 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)Nc1ccc(Cl)cc1)C1=CC[N@@H+](C)CC1 ZINC000583436529 430395663 /nfs/dbraw/zinc/39/56/63/430395663.db2.gz LSHZVIDROVKLDF-CYBMUJFWSA-N 2 1 321.852 2.909 20 0 DFADMP OC1CC(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000568835528 430396054 /nfs/dbraw/zinc/39/60/54/430396054.db2.gz ZGMLOGXZYGCEEC-JHNJKDCUSA-N 2 1 314.473 2.933 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000583518661 430402534 /nfs/dbraw/zinc/40/25/34/430402534.db2.gz GWNGPXVTFYZMPM-IRXDYDNUSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000583518661 430402538 /nfs/dbraw/zinc/40/25/38/430402538.db2.gz GWNGPXVTFYZMPM-IRXDYDNUSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000583518661 430402540 /nfs/dbraw/zinc/40/25/40/430402540.db2.gz GWNGPXVTFYZMPM-IRXDYDNUSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638676624 430405937 /nfs/dbraw/zinc/40/59/37/430405937.db2.gz OGCIHTISIIXCIW-WXSAJPJJSA-N 2 1 302.462 2.961 20 0 DFADMP C[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638676624 430405942 /nfs/dbraw/zinc/40/59/42/430405942.db2.gz OGCIHTISIIXCIW-WXSAJPJJSA-N 2 1 302.462 2.961 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@]2(C)CCC[NH2+]2)CC1 ZINC000583937178 430442922 /nfs/dbraw/zinc/44/29/22/430442922.db2.gz CENJTQFNFHLCCM-QFBILLFUSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548061007 430443313 /nfs/dbraw/zinc/44/33/13/430443313.db2.gz GKFDXPUDULYWKO-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@H]1CCCC[NH+]1C1CC1)C1CCCCC1 ZINC000548065380 430444669 /nfs/dbraw/zinc/44/46/69/430444669.db2.gz HTDXLSHRILLFNX-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000569360885 430448463 /nfs/dbraw/zinc/44/84/63/430448463.db2.gz YROWNSLJVVMWJN-ROUUACIJSA-N 2 1 317.477 2.628 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000584047278 430452996 /nfs/dbraw/zinc/45/29/96/430452996.db2.gz FKEZEKGTJNUVLK-QZTJIDSGSA-N 2 1 300.402 2.966 20 0 DFADMP C[N@H+]1CCC[C@H](CNCc2ccncc2N)[C@@H]1c1cccs1 ZINC000641728839 430453153 /nfs/dbraw/zinc/45/31/53/430453153.db2.gz ILARLURPKHGJGL-RHSMWYFYSA-N 2 1 316.474 2.898 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)[C@@H]1c1cccs1 ZINC000641728839 430453161 /nfs/dbraw/zinc/45/31/61/430453161.db2.gz ILARLURPKHGJGL-RHSMWYFYSA-N 2 1 316.474 2.898 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccncc2N)[C@@H]1c1cccs1 ZINC000641728839 430453166 /nfs/dbraw/zinc/45/31/66/430453166.db2.gz ILARLURPKHGJGL-RHSMWYFYSA-N 2 1 316.474 2.898 20 0 DFADMP CC(C)([NH3+])CC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852040 430455311 /nfs/dbraw/zinc/45/53/11/430455311.db2.gz UQFMFBAASNVAHL-QGZVFWFLSA-N 2 1 317.477 2.675 20 0 DFADMP CC[C@@H](CSc1ccccc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000569476258 430457785 /nfs/dbraw/zinc/45/77/85/430457785.db2.gz UBCJXIGNCODEMX-GOEBONIOSA-N 2 1 308.491 2.602 20 0 DFADMP CC[C@@H](CSc1ccccc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000569476258 430457789 /nfs/dbraw/zinc/45/77/89/430457789.db2.gz UBCJXIGNCODEMX-GOEBONIOSA-N 2 1 308.491 2.602 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000641746108 430458736 /nfs/dbraw/zinc/45/87/36/430458736.db2.gz MZJSTTXKKJQSFQ-MAUKXSAKSA-N 2 1 310.445 2.664 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000569566624 430466020 /nfs/dbraw/zinc/46/60/20/430466020.db2.gz FBKRPDHCJQTGPR-QZTJIDSGSA-N 2 1 315.461 2.559 20 0 DFADMP CCn1cc(C[NH2+]CCc2c[nH+]cn2C)c(-c2ccccc2)n1 ZINC000641774463 430469352 /nfs/dbraw/zinc/46/93/52/430469352.db2.gz GDDFRVVOMBKXLQ-UHFFFAOYSA-N 2 1 309.417 2.636 20 0 DFADMP c1cc(C[N@H+](CCc2cn[nH]c2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000641797413 430476373 /nfs/dbraw/zinc/47/63/73/430476373.db2.gz CAQWTHDHTMAROB-INIZCTEOSA-N 2 1 316.474 2.658 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)N[C@@H](C)c1ccc(Cl)cc1 ZINC000641805379 430477700 /nfs/dbraw/zinc/47/77/00/430477700.db2.gz NJFFXNKQOKRGIQ-UOVKNHIHSA-N 2 1 323.868 2.621 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@H]([NH3+])C2(C)C)c(C)c1 ZINC000641804302 430478340 /nfs/dbraw/zinc/47/83/40/430478340.db2.gz HLXHXISVOUVKSO-KKUMJFAQSA-N 2 1 303.450 2.654 20 0 DFADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000641803953 430478349 /nfs/dbraw/zinc/47/83/49/430478349.db2.gz GJOSIDKXRDXQGV-RYUDHWBXSA-N 2 1 316.232 2.647 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803812 430478359 /nfs/dbraw/zinc/47/83/59/430478359.db2.gz HXURPESTERHBLG-APHBMKBZSA-N 2 1 317.477 2.854 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCC(=O)Nc2ccccc2F)[C@H]1C ZINC000641809277 430479757 /nfs/dbraw/zinc/47/97/57/430479757.db2.gz QHMXCLKYZFZGAT-RDBSUJKOSA-N 2 1 307.413 2.602 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCC(=O)Nc2ccccc2F)[C@H]1C ZINC000641809277 430479759 /nfs/dbraw/zinc/47/97/59/430479759.db2.gz QHMXCLKYZFZGAT-RDBSUJKOSA-N 2 1 307.413 2.602 20 0 DFADMP CO[C@]1(C)CCC[NH+](CCCC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000547770797 430419568 /nfs/dbraw/zinc/41/95/68/430419568.db2.gz HOSKMALGAQZFMB-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1cccn(C(F)F)c1=O)C(C)C ZINC000638734700 430420399 /nfs/dbraw/zinc/42/03/99/430420399.db2.gz MOVATTFTAQGDSF-UHFFFAOYSA-N 2 1 315.408 2.842 20 0 DFADMP CCC[C@@H](C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)OC ZINC000638970288 430483791 /nfs/dbraw/zinc/48/37/91/430483791.db2.gz KVOYMNHWOVITRK-MOPGFXCFSA-N 2 1 320.477 2.548 20 0 DFADMP C[C@H]([NH2+][C@@H](C)C(C)(C)n1cncn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969774 430483913 /nfs/dbraw/zinc/48/39/13/430483913.db2.gz IOQLTGDTESUQMR-HRCADAONSA-N 2 1 319.497 2.644 20 0 DFADMP C[C@H]([NH2+]Cc1c[nH]c2ncncc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638970670 430484100 /nfs/dbraw/zinc/48/41/00/430484100.db2.gz MVRSTXKNVQPFLV-KBPBESRZSA-N 2 1 313.449 2.652 20 0 DFADMP CC(C)[C@@H](CNC(=O)[C@H]([NH3+])c1ccccc1)[NH+]1CCC(C)CC1 ZINC000236687082 277743045 /nfs/dbraw/zinc/74/30/45/277743045.db2.gz VEVRWDDQFHGRCA-QZTJIDSGSA-N 2 1 317.477 2.559 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CCC[C@H]2CCO2)CC1 ZINC000639081465 430515145 /nfs/dbraw/zinc/51/51/45/430515145.db2.gz SGZXIRJLBFGQAT-MOPGFXCFSA-N 2 1 317.477 2.937 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CCC[C@H]2CCO2)CC1 ZINC000639081465 430515149 /nfs/dbraw/zinc/51/51/49/430515149.db2.gz SGZXIRJLBFGQAT-MOPGFXCFSA-N 2 1 317.477 2.937 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](CCC[C@H]2CCO2)CC1 ZINC000639081465 430515153 /nfs/dbraw/zinc/51/51/53/430515153.db2.gz SGZXIRJLBFGQAT-MOPGFXCFSA-N 2 1 317.477 2.937 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](CCC[C@H]2CCO2)CC1 ZINC000639081465 430515156 /nfs/dbraw/zinc/51/51/56/430515156.db2.gz SGZXIRJLBFGQAT-MOPGFXCFSA-N 2 1 317.477 2.937 20 0 DFADMP CO[C@H](C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081713 430517747 /nfs/dbraw/zinc/51/77/47/430517747.db2.gz SYOFXKHXVNHYOA-RBUKOAKNSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081713 430517751 /nfs/dbraw/zinc/51/77/51/430517751.db2.gz SYOFXKHXVNHYOA-RBUKOAKNSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081713 430517753 /nfs/dbraw/zinc/51/77/53/430517753.db2.gz SYOFXKHXVNHYOA-RBUKOAKNSA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081713 430517757 /nfs/dbraw/zinc/51/77/57/430517757.db2.gz SYOFXKHXVNHYOA-RBUKOAKNSA-N 2 1 317.477 2.793 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639105686 430526664 /nfs/dbraw/zinc/52/66/64/430526664.db2.gz USRLIWXOJPUFON-YQQAZPJKSA-N 2 1 324.415 2.960 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639105686 430526668 /nfs/dbraw/zinc/52/66/68/430526668.db2.gz USRLIWXOJPUFON-YQQAZPJKSA-N 2 1 324.415 2.960 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133002 430537917 /nfs/dbraw/zinc/53/79/17/430537917.db2.gz FZXYALXXNRKXGI-RYRKJORJSA-N 2 1 321.509 2.820 20 0 DFADMP CN(c1cc[nH+]c2cc(Br)ccc21)[C@@H]1CC[NH2+]C1 ZINC000643006991 430542091 /nfs/dbraw/zinc/54/20/91/430542091.db2.gz IPQWXXTYIXLAPE-LLVKDONJSA-N 2 1 306.207 2.795 20 0 DFADMP C[C@H]1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[NH+]4C)no2)CC[N@H+]1C ZINC000643108174 430550226 /nfs/dbraw/zinc/55/02/26/430550226.db2.gz MFCDDIQUZJQSRS-UUQIVFDPSA-N 2 1 304.438 2.608 20 0 DFADMP C[C@H]1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)no2)CC[NH+]1C ZINC000643108174 430550231 /nfs/dbraw/zinc/55/02/31/430550231.db2.gz MFCDDIQUZJQSRS-UUQIVFDPSA-N 2 1 304.438 2.608 20 0 DFADMP C[C@H]1C[C@@H](c2nc(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)no2)CC[NH+]1C ZINC000643108174 430550235 /nfs/dbraw/zinc/55/02/35/430550235.db2.gz MFCDDIQUZJQSRS-UUQIVFDPSA-N 2 1 304.438 2.608 20 0 DFADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639168829 430551604 /nfs/dbraw/zinc/55/16/04/430551604.db2.gz VLJJYXQOZDTTSI-WDYCEAGBSA-N 2 1 301.478 2.894 20 0 DFADMP COc1cncc(CN(C)CCC[N@@H+](C)Cc2ccco2)c1C ZINC000639165958 430551933 /nfs/dbraw/zinc/55/19/33/430551933.db2.gz CGNZOLZOGJEBEM-UHFFFAOYSA-N 2 1 317.433 2.946 20 0 DFADMP COc1cncc(C[N@H+](C)CCCN(C)Cc2ccco2)c1C ZINC000639165958 430551938 /nfs/dbraw/zinc/55/19/38/430551938.db2.gz CGNZOLZOGJEBEM-UHFFFAOYSA-N 2 1 317.433 2.946 20 0 DFADMP COc1cncc(C[N@@H+](C)CCCN(C)Cc2ccco2)c1C ZINC000639165958 430551940 /nfs/dbraw/zinc/55/19/40/430551940.db2.gz CGNZOLZOGJEBEM-UHFFFAOYSA-N 2 1 317.433 2.946 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccnn1CC1CCC1 ZINC000639176236 430556064 /nfs/dbraw/zinc/55/60/64/430556064.db2.gz ZPZPRBDXRXCCCT-UHFFFAOYSA-N 2 1 301.438 2.710 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccnn1CC1CCC1 ZINC000639176236 430556068 /nfs/dbraw/zinc/55/60/68/430556068.db2.gz ZPZPRBDXRXCCCT-UHFFFAOYSA-N 2 1 301.438 2.710 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000639180768 430558931 /nfs/dbraw/zinc/55/89/31/430558931.db2.gz YCMOCNWSYNBDDQ-KXBFYZLASA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@@H]21 ZINC000639180768 430558933 /nfs/dbraw/zinc/55/89/33/430558933.db2.gz YCMOCNWSYNBDDQ-KXBFYZLASA-N 2 1 310.445 2.854 20 0 DFADMP FC(F)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643251527 430567660 /nfs/dbraw/zinc/56/76/60/430567660.db2.gz FUDGYLXNKSIZGO-MRXNPFEDSA-N 2 1 310.388 2.606 20 0 DFADMP FC(F)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000643251527 430567664 /nfs/dbraw/zinc/56/76/64/430567664.db2.gz FUDGYLXNKSIZGO-MRXNPFEDSA-N 2 1 310.388 2.606 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794236 430576651 /nfs/dbraw/zinc/57/66/51/430576651.db2.gz CUDHMLUGHCOQSX-YJBOKZPZSA-N 2 1 302.462 2.844 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794236 430576655 /nfs/dbraw/zinc/57/66/55/430576655.db2.gz CUDHMLUGHCOQSX-YJBOKZPZSA-N 2 1 302.462 2.844 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CC(C)(C)O)CC2)c2ccccc2O1 ZINC000639221853 430577818 /nfs/dbraw/zinc/57/78/18/430577818.db2.gz GEKHXUVJWZCJHE-RHSMWYFYSA-N 2 1 318.461 2.724 20 0 DFADMP CC(C)n1cc(C2=CCC[N@@H+]([C@H]3CC[NH+](C)[C@@H](C)C3)CC2)nn1 ZINC000639227713 430579540 /nfs/dbraw/zinc/57/95/40/430579540.db2.gz QFYDGFWIMUCAMN-RDJZCZTQSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[N@H+]([C@H]3CC[NH+](C)[C@@H](C)C3)CC2)nn1 ZINC000639227713 430579544 /nfs/dbraw/zinc/57/95/44/430579544.db2.gz QFYDGFWIMUCAMN-RDJZCZTQSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+]([C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)nn1 ZINC000639227713 430579547 /nfs/dbraw/zinc/57/95/47/430579547.db2.gz QFYDGFWIMUCAMN-RDJZCZTQSA-N 2 1 317.481 2.821 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+]([C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)nn1 ZINC000639227713 430579551 /nfs/dbraw/zinc/57/95/51/430579551.db2.gz QFYDGFWIMUCAMN-RDJZCZTQSA-N 2 1 317.481 2.821 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000552044963 430580680 /nfs/dbraw/zinc/58/06/80/430580680.db2.gz TTWVFGNAPLNTMT-GOEBONIOSA-N 2 1 320.477 2.875 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000552244101 430592836 /nfs/dbraw/zinc/59/28/36/430592836.db2.gz VFKMEXGVRZCZNG-INIZCTEOSA-N 2 1 312.461 2.907 20 0 DFADMP C[N@@H+](Cc1ccc(OCCN2CCOCC2)cc1)C(C)(C)C ZINC000639286447 430598121 /nfs/dbraw/zinc/59/81/21/430598121.db2.gz PTGAHFKBFHCLJJ-UHFFFAOYSA-N 2 1 306.450 2.628 20 0 DFADMP COCC1(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000639287304 430600169 /nfs/dbraw/zinc/60/01/69/430600169.db2.gz YSDVWBXBSBRBSZ-MSOLQXFVSA-N 2 1 302.462 2.738 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000570440271 430543197 /nfs/dbraw/zinc/54/31/97/430543197.db2.gz ASPMXINCMRUWDB-BWPNAZKDSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000570440271 430543201 /nfs/dbraw/zinc/54/32/01/430543201.db2.gz ASPMXINCMRUWDB-BWPNAZKDSA-N 2 1 315.505 2.875 20 0 DFADMP O=c1cc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc[nH]1 ZINC000639474662 430650429 /nfs/dbraw/zinc/65/04/29/430650429.db2.gz QHTFQFJZXQKAIW-KRWDZBQOSA-N 2 1 303.450 2.875 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489469 430653107 /nfs/dbraw/zinc/65/31/07/430653107.db2.gz QXDJKXQTZIAMSC-RDJZCZTQSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489469 430653109 /nfs/dbraw/zinc/65/31/09/430653109.db2.gz QXDJKXQTZIAMSC-RDJZCZTQSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489469 430653112 /nfs/dbraw/zinc/65/31/12/430653112.db2.gz QXDJKXQTZIAMSC-RDJZCZTQSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489469 430653115 /nfs/dbraw/zinc/65/31/15/430653115.db2.gz QXDJKXQTZIAMSC-RDJZCZTQSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489470 430653388 /nfs/dbraw/zinc/65/33/88/430653388.db2.gz QXDJKXQTZIAMSC-WBVHZDCISA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489470 430653391 /nfs/dbraw/zinc/65/33/91/430653391.db2.gz QXDJKXQTZIAMSC-WBVHZDCISA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489470 430653393 /nfs/dbraw/zinc/65/33/93/430653393.db2.gz QXDJKXQTZIAMSC-WBVHZDCISA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489470 430653399 /nfs/dbraw/zinc/65/33/99/430653399.db2.gz QXDJKXQTZIAMSC-WBVHZDCISA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1ccc(Br)cn1 ZINC000554886005 430654828 /nfs/dbraw/zinc/65/48/28/430654828.db2.gz JILJKZZKUHZBOR-BXUZGUMPSA-N 2 1 312.255 2.616 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1ccc(Br)cn1 ZINC000554886005 430654832 /nfs/dbraw/zinc/65/48/32/430654832.db2.gz JILJKZZKUHZBOR-BXUZGUMPSA-N 2 1 312.255 2.616 20 0 DFADMP C[C@@H]1OCC[C@H]1C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639504009 430657419 /nfs/dbraw/zinc/65/74/19/430657419.db2.gz OVYKJEDHHZCDNS-WDSOQIARSA-N 2 1 302.462 2.865 20 0 DFADMP COC[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000643456321 430603168 /nfs/dbraw/zinc/60/31/68/430603168.db2.gz LEUXRPASEJNLPF-WHOFXGATSA-N 2 1 316.367 2.981 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000643457627 430603538 /nfs/dbraw/zinc/60/35/38/430603538.db2.gz RIJBNGPKBJETCR-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP CCc1cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643457183 430604995 /nfs/dbraw/zinc/60/49/95/430604995.db2.gz ASGMYGCHOGCBPW-SJLPKXTDSA-N 2 1 313.401 2.583 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(C2CCCCC2)C1=O ZINC000643467743 430605702 /nfs/dbraw/zinc/60/57/02/430605702.db2.gz YARURUHQOWPFGR-NUJGCVRESA-N 2 1 321.509 2.820 20 0 DFADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@H]1CCC[NH2+]C1)CCO2 ZINC000643482358 430607045 /nfs/dbraw/zinc/60/70/45/430607045.db2.gz ANSMNXYUVCDHNT-JKIFEVAISA-N 2 1 304.434 2.887 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NCC[NH2+]C3CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000643507390 430611440 /nfs/dbraw/zinc/61/14/40/430611440.db2.gz BNHKQVJNCVEPCT-SLFFLAALSA-N 2 1 313.489 2.771 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000639335017 430612094 /nfs/dbraw/zinc/61/20/94/430612094.db2.gz LOHPRRNLNNHTSD-KRWDZBQOSA-N 2 1 313.445 2.777 20 0 DFADMP CC1(C)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c2cc(N)ccc2O1 ZINC000643533020 430612628 /nfs/dbraw/zinc/61/26/28/430612628.db2.gz NMBZPJNMLGFFCJ-DXBFTMOHSA-N 2 1 301.434 2.744 20 0 DFADMP COc1ccc(C[C@@H]([NH2+]C[C@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000643528471 430613418 /nfs/dbraw/zinc/61/34/18/430613418.db2.gz JWSYHCNRQGUHMK-IFXJQAMLSA-N 2 1 314.429 2.924 20 0 DFADMP C[C@H]([NH3+])C[NH2+][C@@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000643528371 430613530 /nfs/dbraw/zinc/61/35/30/430613530.db2.gz IHMXCJKTEUSERX-GJZGRUSLSA-N 2 1 324.428 2.911 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)n1 ZINC000643543852 430615787 /nfs/dbraw/zinc/61/57/87/430615787.db2.gz DDAFXSADRUJYRG-WWDZGPRUSA-N 2 1 316.493 2.565 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643548374 430616371 /nfs/dbraw/zinc/61/63/71/430616371.db2.gz ONLQOVZABZXSCW-GXTWGEPZSA-N 2 1 323.506 2.966 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]CC2(O)CCC2)C1 ZINC000571277361 430617343 /nfs/dbraw/zinc/61/73/43/430617343.db2.gz SQJFYWFTENREGA-MRXNPFEDSA-N 2 1 302.462 2.923 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639351802 430618781 /nfs/dbraw/zinc/61/87/81/430618781.db2.gz AAEAFALFVOCCQL-WQCNXYOZSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639351802 430618785 /nfs/dbraw/zinc/61/87/85/430618785.db2.gz AAEAFALFVOCCQL-WQCNXYOZSA-N 2 1 300.446 2.715 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639359629 430620146 /nfs/dbraw/zinc/62/01/46/430620146.db2.gz OLSHRRJRQOJZBL-NEWSRXKRSA-N 2 1 302.462 2.913 20 0 DFADMP O[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NCc2ccc(F)cc2Cl)C1 ZINC000639370462 430622603 /nfs/dbraw/zinc/62/26/03/430622603.db2.gz NPRFAWSNHHTXLR-CWRNSKLLSA-N 2 1 312.816 2.556 20 0 DFADMP O[C@H]1CCN([C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(F)cc2Cl)C1 ZINC000639370462 430622605 /nfs/dbraw/zinc/62/26/05/430622605.db2.gz NPRFAWSNHHTXLR-CWRNSKLLSA-N 2 1 312.816 2.556 20 0 DFADMP Cc1ccc(CN[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000639371422 430622908 /nfs/dbraw/zinc/62/29/08/430622908.db2.gz GZDWTMWGSXKKMI-OIISXLGYSA-N 2 1 308.853 2.726 20 0 DFADMP Cc1ccc(CN[C@@H]2CCC[C@@H]2[N@H+]2CC[C@@H](O)C2)c(Cl)c1 ZINC000639371422 430622911 /nfs/dbraw/zinc/62/29/11/430622911.db2.gz GZDWTMWGSXKKMI-OIISXLGYSA-N 2 1 308.853 2.726 20 0 DFADMP O[C@@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NC/C=C\c2ccc(F)cc2F)C1 ZINC000639370907 430623514 /nfs/dbraw/zinc/62/35/14/430623514.db2.gz FDIMBRSYPONBKF-GZXMERIUSA-N 2 1 322.399 2.555 20 0 DFADMP O[C@@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NC/C=C\c2ccc(F)cc2F)C1 ZINC000639370907 430623515 /nfs/dbraw/zinc/62/35/15/430623515.db2.gz FDIMBRSYPONBKF-GZXMERIUSA-N 2 1 322.399 2.555 20 0 DFADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)F ZINC000639378409 430627860 /nfs/dbraw/zinc/62/78/60/430627860.db2.gz UTVVBHQKCBLWSP-DJIMGWMZSA-N 2 1 324.415 2.960 20 0 DFADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C(F)F ZINC000639378409 430627862 /nfs/dbraw/zinc/62/78/62/430627862.db2.gz UTVVBHQKCBLWSP-DJIMGWMZSA-N 2 1 324.415 2.960 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](C)O ZINC000571561129 430637274 /nfs/dbraw/zinc/63/72/74/430637274.db2.gz UBMSTAXLKLMHEA-NXHRZFHOSA-N 2 1 302.462 2.933 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@@H](C)O ZINC000571561129 430637277 /nfs/dbraw/zinc/63/72/77/430637277.db2.gz UBMSTAXLKLMHEA-NXHRZFHOSA-N 2 1 302.462 2.933 20 0 DFADMP CCc1[nH+]c2ccccc2c(NCCC[NH+]2CCOCC2)c1C ZINC000554488210 430638704 /nfs/dbraw/zinc/63/87/04/430638704.db2.gz SAGYWZFIMHDKOD-UHFFFAOYSA-N 2 1 313.445 2.662 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910777 430641822 /nfs/dbraw/zinc/64/18/22/430641822.db2.gz AHZMTGDJCSGZDK-RDGPPVDQSA-N 2 1 300.446 2.666 20 0 DFADMP CCn1c2ccccc2nc1CN(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000571689925 430645980 /nfs/dbraw/zinc/64/59/80/430645980.db2.gz XSHRAFWQVHQSJI-HOCLYGCPSA-N 2 1 300.450 2.828 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)n1 ZINC000639543464 430667191 /nfs/dbraw/zinc/66/71/91/430667191.db2.gz HGARDRYHQAHZOK-YTQUADARSA-N 2 1 317.477 2.690 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c(C)n1 ZINC000639543464 430667193 /nfs/dbraw/zinc/66/71/93/430667193.db2.gz HGARDRYHQAHZOK-YTQUADARSA-N 2 1 317.477 2.690 20 0 DFADMP C[C@H]1COCC[N@@H+]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000555878211 430675115 /nfs/dbraw/zinc/67/51/15/430675115.db2.gz IDMJPADIEMJGIM-ZDUSSCGKSA-N 2 1 308.388 2.904 20 0 DFADMP C[C@H]1COCC[N@H+]1C1CCN(CCCCC(F)(F)F)CC1 ZINC000555878211 430675118 /nfs/dbraw/zinc/67/51/18/430675118.db2.gz IDMJPADIEMJGIM-ZDUSSCGKSA-N 2 1 308.388 2.904 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccncc2C)CC1 ZINC000556142729 430679213 /nfs/dbraw/zinc/67/92/13/430679213.db2.gz NRGJVXKWRUGJAO-UHFFFAOYSA-N 2 1 319.493 2.960 20 0 DFADMP C[N@@H+](Cc1cccc2c1CCOC2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639600379 430679995 /nfs/dbraw/zinc/67/99/95/430679995.db2.gz NSCZSUVFPKEHPG-OAHLLOKOSA-N 2 1 311.429 2.650 20 0 DFADMP C[N@H+](Cc1cccc2c1CCOC2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639600379 430679997 /nfs/dbraw/zinc/67/99/97/430679997.db2.gz NSCZSUVFPKEHPG-OAHLLOKOSA-N 2 1 311.429 2.650 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000572398902 430686438 /nfs/dbraw/zinc/68/64/38/430686438.db2.gz HTQZSTQHDNXJGF-GOEBONIOSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000572398902 430686439 /nfs/dbraw/zinc/68/64/39/430686439.db2.gz HTQZSTQHDNXJGF-GOEBONIOSA-N 2 1 321.465 2.881 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+][C@@H]2C)C1 ZINC000377570460 278081608 /nfs/dbraw/zinc/08/16/08/278081608.db2.gz YUHIKRLFJUYHHN-BZUAXINKSA-N 2 1 318.465 2.558 20 0 DFADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479856 430688496 /nfs/dbraw/zinc/68/84/96/430688496.db2.gz NDYZNWMMPWVPRB-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479856 430688497 /nfs/dbraw/zinc/68/84/97/430688497.db2.gz NDYZNWMMPWVPRB-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000572479856 430688498 /nfs/dbraw/zinc/68/84/98/430688498.db2.gz NDYZNWMMPWVPRB-PMPSAXMXSA-N 2 1 310.482 2.770 20 0 DFADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000572483505 430688516 /nfs/dbraw/zinc/68/85/16/430688516.db2.gz BALPDXOCHPTONG-QGZVFWFLSA-N 2 1 311.429 2.831 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000572483505 430688518 /nfs/dbraw/zinc/68/85/18/430688518.db2.gz BALPDXOCHPTONG-QGZVFWFLSA-N 2 1 311.429 2.831 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)C1CC1 ZINC000572632431 430692998 /nfs/dbraw/zinc/69/29/98/430692998.db2.gz DVCMNJPVHDNFOW-UWWQBHOKSA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2cccc(F)c2)C1)C1CC1 ZINC000572632431 430692999 /nfs/dbraw/zinc/69/29/99/430692999.db2.gz DVCMNJPVHDNFOW-UWWQBHOKSA-N 2 1 306.425 2.507 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCC1 ZINC000296042310 278333552 /nfs/dbraw/zinc/33/35/52/278333552.db2.gz OCVUFFKIIFKECT-HNNXBMFYSA-N 2 1 315.461 2.559 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000651138129 430716049 /nfs/dbraw/zinc/71/60/49/430716049.db2.gz BNGNQHDLOQSLNC-XUVXKRRUSA-N 2 1 314.473 2.600 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000651138129 430716052 /nfs/dbraw/zinc/71/60/52/430716052.db2.gz BNGNQHDLOQSLNC-XUVXKRRUSA-N 2 1 314.473 2.600 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000651138129 430716057 /nfs/dbraw/zinc/71/60/57/430716057.db2.gz BNGNQHDLOQSLNC-XUVXKRRUSA-N 2 1 314.473 2.600 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H](C2CC2)[C@H]1C1CC1 ZINC000651138129 430716062 /nfs/dbraw/zinc/71/60/62/430716062.db2.gz BNGNQHDLOQSLNC-XUVXKRRUSA-N 2 1 314.473 2.600 20 0 DFADMP O[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCC2 ZINC000657710890 430716183 /nfs/dbraw/zinc/71/61/83/430716183.db2.gz YMNQBJFBTHTYKL-OALUTQOASA-N 2 1 314.473 2.587 20 0 DFADMP COc1ccc([C@@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657753604 430724921 /nfs/dbraw/zinc/72/49/21/430724921.db2.gz YGFPIBADAHNLLL-MAUKXSAKSA-N 2 1 318.461 2.642 20 0 DFADMP Cc1cc(Cl)cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657750966 430725198 /nfs/dbraw/zinc/72/51/98/430725198.db2.gz FNYOPUYMKFEUHT-QGZVFWFLSA-N 2 1 308.853 2.991 20 0 DFADMP COc1ccccc1/C=C/C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751338 430725276 /nfs/dbraw/zinc/72/52/76/430725276.db2.gz QMKJZQSVMIAWID-JXTAAOLFSA-N 2 1 316.445 2.551 20 0 DFADMP c1nc(C2CCC2)sc1CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657752408 430726361 /nfs/dbraw/zinc/72/63/61/430726361.db2.gz ZNBBEHBGGSJABD-HNNXBMFYSA-N 2 1 321.490 2.754 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NCc1cn(-c2cc[nH+]cc2)nc1C ZINC000657792221 430737152 /nfs/dbraw/zinc/73/71/52/430737152.db2.gz HEZZTYKSADVELQ-UHFFFAOYSA-N 2 1 315.465 2.786 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2ccncc2s1 ZINC000657833325 430748532 /nfs/dbraw/zinc/74/85/32/430748532.db2.gz JCZOQRLGTOWMKF-ZDUSSCGKSA-N 2 1 307.463 2.915 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657835048 430750056 /nfs/dbraw/zinc/75/00/56/430750056.db2.gz KCOBMVABHUWMAE-FGTMMUONSA-N 2 1 307.526 2.818 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+][C@@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867800 430756706 /nfs/dbraw/zinc/75/67/06/430756706.db2.gz PKFMLLPORLIZOC-MOPGFXCFSA-N 2 1 314.473 2.852 20 0 DFADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000644569336 430757526 /nfs/dbraw/zinc/75/75/26/430757526.db2.gz IYCWRDQGLWUUOO-HNNXBMFYSA-N 2 1 321.440 2.927 20 0 DFADMP CC[C@@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000657876037 430758423 /nfs/dbraw/zinc/75/84/23/430758423.db2.gz SZFPNBSCELNGKD-LSDHHAIUSA-N 2 1 318.383 2.539 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cc(-c2ccccc2)nn1C ZINC000651294220 430759203 /nfs/dbraw/zinc/75/92/03/430759203.db2.gz RCTUOFYYQXKMLZ-GOEBONIOSA-N 2 1 321.428 2.949 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc2cnccc2o1 ZINC000657882127 430760106 /nfs/dbraw/zinc/76/01/06/430760106.db2.gz XUJQKOANILJVSH-ZBFHGGJFSA-N 2 1 317.433 2.715 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCCSCC3)C2)nc(C)[nH+]1 ZINC000657942912 430773398 /nfs/dbraw/zinc/77/33/98/430773398.db2.gz FGNMXXHFNQMMMW-HZPDHXFCSA-N 2 1 320.506 2.938 20 0 DFADMP C[C@H](CCC1CC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658135956 430820698 /nfs/dbraw/zinc/82/06/98/430820698.db2.gz FXTBNZGOGBGGMH-BEFAXECRSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cscn1 ZINC000658140043 430823166 /nfs/dbraw/zinc/82/31/66/430823166.db2.gz SFTUHUPLPVKNQZ-BBRMVZONSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1cscn1 ZINC000658140043 430823171 /nfs/dbraw/zinc/82/31/71/430823171.db2.gz SFTUHUPLPVKNQZ-BBRMVZONSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCCC1 ZINC000658139889 430823620 /nfs/dbraw/zinc/82/36/20/430823620.db2.gz NOCGHPKSMMSGQE-HNAYVOBHSA-N 2 1 302.462 2.922 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1ccc(C(=O)NC2CC2)cc1)C1CC1 ZINC000651600485 430828178 /nfs/dbraw/zinc/82/81/78/430828178.db2.gz JDKZXTIDZAAVGI-UHFFFAOYSA-N 2 1 315.461 2.543 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H](C)c3cnc(C)cn3)C2)c1 ZINC000644668250 430785161 /nfs/dbraw/zinc/78/51/61/430785161.db2.gz LBLPLYHVUIOZPT-CVEARBPZSA-N 2 1 311.433 2.983 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+]([C@H](C)c3cnc(C)cn3)C2)c1 ZINC000644668256 430785769 /nfs/dbraw/zinc/78/57/69/430785769.db2.gz LBLPLYHVUIOZPT-HZPDHXFCSA-N 2 1 311.433 2.983 20 0 DFADMP CCCc1nc(C)c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000644686246 430791931 /nfs/dbraw/zinc/79/19/31/430791931.db2.gz PPRAXQFGZTZNES-CQSZACIVSA-N 2 1 302.422 2.826 20 0 DFADMP CCCc1nc(C)c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)o1 ZINC000644686246 430791936 /nfs/dbraw/zinc/79/19/36/430791936.db2.gz PPRAXQFGZTZNES-CQSZACIVSA-N 2 1 302.422 2.826 20 0 DFADMP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCCn3nccc32)[C@H](c2ccccc2)C1 ZINC000658041809 430792128 /nfs/dbraw/zinc/79/21/28/430792128.db2.gz IRVMXVZZMCLNMB-FGTMMUONSA-N 2 1 310.445 2.653 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCCn3nccc32)[C@H](c2ccccc2)C1 ZINC000658041809 430792133 /nfs/dbraw/zinc/79/21/33/430792133.db2.gz IRVMXVZZMCLNMB-FGTMMUONSA-N 2 1 310.445 2.653 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC2CC(OC)C2)[C@@H](C)C1 ZINC000658054846 430795670 /nfs/dbraw/zinc/79/56/70/430795670.db2.gz FEDKXPMSVPDEGH-BFWZDYSYSA-N 2 1 312.498 2.528 20 0 DFADMP COC[C@H](CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)OC ZINC000658085586 430806327 /nfs/dbraw/zinc/80/63/27/430806327.db2.gz RFUGTINKDMXCMD-KDOFPFPSSA-N 2 1 317.433 2.883 20 0 DFADMP COc1cc(OC)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1F ZINC000651672852 430845602 /nfs/dbraw/zinc/84/56/02/430845602.db2.gz NHIGJOWJFOYTOZ-GFCCVEGCSA-N 2 1 321.396 2.774 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C12CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658253135 430853124 /nfs/dbraw/zinc/85/31/24/430853124.db2.gz STKULDUGXHKSTQ-AITUJVMLSA-N 2 1 314.473 2.790 20 0 DFADMP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000651710957 430856302 /nfs/dbraw/zinc/85/63/02/430856302.db2.gz VGYNGABHVIRMSX-IAGOWNOFSA-N 2 1 312.498 2.671 20 0 DFADMP COC[C@H](CC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000651720916 430857776 /nfs/dbraw/zinc/85/77/76/430857776.db2.gz OBWMMUNTFRUXQE-BBWFWOEESA-N 2 1 314.514 2.917 20 0 DFADMP COC[C@@H](CC(C)(C)C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000651730442 430859855 /nfs/dbraw/zinc/85/98/55/430859855.db2.gz LLIHVMNKMOKWQM-QGZVFWFLSA-N 2 1 314.514 2.917 20 0 DFADMP FC(F)(F)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC1CCCC1 ZINC000665238053 430863924 /nfs/dbraw/zinc/86/39/24/430863924.db2.gz PIWZCKIOMCKSID-IIKSMHAQSA-N 2 1 306.372 2.749 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000665249345 430869255 /nfs/dbraw/zinc/86/92/55/430869255.db2.gz OHCULMROTNPZEX-HNNXBMFYSA-N 3 1 305.466 2.549 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000665253549 430870083 /nfs/dbraw/zinc/87/00/83/430870083.db2.gz VNEHRUPWBJMXHH-GDIGMMSISA-N 3 1 319.468 2.591 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253833 430870882 /nfs/dbraw/zinc/87/08/82/430870882.db2.gz ANVGTNVSJSKLGW-WNRNVDISSA-N 2 1 306.425 2.818 20 0 DFADMP COCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)c(F)c1 ZINC000665259930 430871997 /nfs/dbraw/zinc/87/19/97/430871997.db2.gz VMSAHPDBCPJBBF-YSVLISHTSA-N 2 1 324.440 2.685 20 0 DFADMP CC(C)C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccs1 ZINC000665292233 430889465 /nfs/dbraw/zinc/88/94/65/430889465.db2.gz WQVHUSADMKPYJD-GFCCVEGCSA-N 2 1 306.435 2.579 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000648734501 430872595 /nfs/dbraw/zinc/87/25/95/430872595.db2.gz NUNXBJPDKFMXSG-XHSDSOJGSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000648734501 430872601 /nfs/dbraw/zinc/87/26/01/430872601.db2.gz NUNXBJPDKFMXSG-XHSDSOJGSA-N 2 1 320.481 2.633 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000665257636 430873195 /nfs/dbraw/zinc/87/31/95/430873195.db2.gz OXILUGJTPDVIBJ-DZOHQFGASA-N 2 1 306.425 2.676 20 0 DFADMP C[NH2+]C[C@@H](C)[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000665298684 430889501 /nfs/dbraw/zinc/88/95/01/430889501.db2.gz ZVEVXXNVOYBLDH-IAQYHMDHSA-N 2 1 311.267 2.968 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc3c2CCC3)CCCO1 ZINC000651786400 430874720 /nfs/dbraw/zinc/87/47/20/430874720.db2.gz WAIKSOGPEJQZGE-INIZCTEOSA-N 2 1 302.462 2.766 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658336082 430878454 /nfs/dbraw/zinc/87/84/54/430878454.db2.gz NEBVFUBZFNEKNC-CABCVRRESA-N 2 1 316.449 2.772 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H](CNC3CC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665277069 430878884 /nfs/dbraw/zinc/87/88/84/430878884.db2.gz SAMAHILHUHSLHM-SFHVURJKSA-N 3 1 313.489 2.630 20 0 DFADMP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665277069 430878887 /nfs/dbraw/zinc/87/88/87/430878887.db2.gz SAMAHILHUHSLHM-SFHVURJKSA-N 3 1 313.489 2.630 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H](C[NH2+]C3CC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665277069 430878893 /nfs/dbraw/zinc/87/88/93/430878893.db2.gz SAMAHILHUHSLHM-SFHVURJKSA-N 3 1 313.489 2.630 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000648752895 430879616 /nfs/dbraw/zinc/87/96/16/430879616.db2.gz RJUWVTYGCAHDSU-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)[C@H]([NH3+])CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665282252 430883187 /nfs/dbraw/zinc/88/31/87/430883187.db2.gz UHQCNLKBYWZELB-QXAKKESOSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665282252 430883189 /nfs/dbraw/zinc/88/31/89/430883189.db2.gz UHQCNLKBYWZELB-QXAKKESOSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665282252 430883194 /nfs/dbraw/zinc/88/31/94/430883194.db2.gz UHQCNLKBYWZELB-QXAKKESOSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665282250 430884296 /nfs/dbraw/zinc/88/42/96/430884296.db2.gz UHQCNLKBYWZELB-BHIYHBOVSA-N 2 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000665282250 430884301 /nfs/dbraw/zinc/88/43/01/430884301.db2.gz UHQCNLKBYWZELB-BHIYHBOVSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665282250 430884305 /nfs/dbraw/zinc/88/43/05/430884305.db2.gz UHQCNLKBYWZELB-BHIYHBOVSA-N 3 1 303.494 2.860 20 0 DFADMP CC(C)C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665292148 430886203 /nfs/dbraw/zinc/88/62/03/430886203.db2.gz UJMHKWTVWMNSKY-OAHLLOKOSA-N 2 1 300.406 2.518 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000648775623 430887097 /nfs/dbraw/zinc/88/70/97/430887097.db2.gz QHJJCZTUUNOEKE-XHSDSOJGSA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000648775623 430887099 /nfs/dbraw/zinc/88/70/99/430887099.db2.gz QHJJCZTUUNOEKE-XHSDSOJGSA-N 2 1 320.481 2.776 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2c1CCC2 ZINC000651651116 430839164 /nfs/dbraw/zinc/83/91/64/430839164.db2.gz LZPVPMJQLHHVON-YZGWKJHDSA-N 2 1 314.473 2.859 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)NCc1cc(C)nc(C)c1 ZINC000665165688 430843239 /nfs/dbraw/zinc/84/32/39/430843239.db2.gz WPVSLTPBULWDRV-UHFFFAOYSA-N 2 1 306.454 2.618 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000648777114 430888746 /nfs/dbraw/zinc/88/87/46/430888746.db2.gz KOTXYQNIJJTIHE-HNNXBMFYSA-N 2 1 320.481 2.777 20 0 DFADMP Cc1cc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000654932582 430844746 /nfs/dbraw/zinc/84/47/46/430844746.db2.gz CEUSKSLMBRLFBZ-QGZVFWFLSA-N 2 1 309.413 2.581 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000648784070 430891124 /nfs/dbraw/zinc/89/11/24/430891124.db2.gz AZUZJYHFKXYYAQ-HOTGVXAUSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000648784070 430891126 /nfs/dbraw/zinc/89/11/26/430891126.db2.gz AZUZJYHFKXYYAQ-HOTGVXAUSA-N 2 1 320.481 2.777 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)on1 ZINC000665299795 430891757 /nfs/dbraw/zinc/89/17/57/430891757.db2.gz SWWKLVWOKJWGEA-CJNGLKHVSA-N 2 1 315.417 2.828 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000651865863 430896542 /nfs/dbraw/zinc/89/65/42/430896542.db2.gz KGKXRAXHAAEPOC-UHFFFAOYSA-N 2 1 306.498 2.994 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000651865863 430896547 /nfs/dbraw/zinc/89/65/47/430896547.db2.gz KGKXRAXHAAEPOC-UHFFFAOYSA-N 2 1 306.498 2.994 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000651866840 430897974 /nfs/dbraw/zinc/89/79/74/430897974.db2.gz SURCSUSFWIFVRZ-UHFFFAOYSA-N 2 1 315.465 2.550 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cn(C)nc1-c1cccnc1 ZINC000651866840 430897977 /nfs/dbraw/zinc/89/79/77/430897977.db2.gz SURCSUSFWIFVRZ-UHFFFAOYSA-N 2 1 315.465 2.550 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@]3(CC3(F)F)C2)cc1 ZINC000652062561 430949920 /nfs/dbraw/zinc/94/99/20/430949920.db2.gz OFCSBOLJCUVMCR-INIZCTEOSA-N 2 1 310.388 2.858 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000648878912 430923527 /nfs/dbraw/zinc/92/35/27/430923527.db2.gz OFNAPQVQPROMBK-HNNXBMFYSA-N 2 1 320.481 2.635 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc(CN(C)C)c(Cl)c2)CC[N@H+]1C ZINC000648889903 430925817 /nfs/dbraw/zinc/92/58/17/430925817.db2.gz XHOKAQQPOOVBRD-BXUZGUMPSA-N 2 1 309.841 2.680 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CC[N@@H+]1C ZINC000648889903 430925822 /nfs/dbraw/zinc/92/58/22/430925822.db2.gz XHOKAQQPOOVBRD-BXUZGUMPSA-N 2 1 309.841 2.680 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(Cl)c2)CC[N@H+]1C ZINC000648889903 430925827 /nfs/dbraw/zinc/92/58/27/430925827.db2.gz XHOKAQQPOOVBRD-BXUZGUMPSA-N 2 1 309.841 2.680 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659018711 430942396 /nfs/dbraw/zinc/94/23/96/430942396.db2.gz LMNNDPZFRMRNKD-HNNXBMFYSA-N 2 1 318.465 2.648 20 0 DFADMP CCC[N@H+](C)CC(C)(C)[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000662177031 430990718 /nfs/dbraw/zinc/99/07/18/430990718.db2.gz OYFKMDCPZNNOBF-UHFFFAOYSA-N 2 1 318.465 2.842 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000662177031 430990721 /nfs/dbraw/zinc/99/07/21/430990721.db2.gz OYFKMDCPZNNOBF-UHFFFAOYSA-N 2 1 318.465 2.842 20 0 DFADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248496 431012167 /nfs/dbraw/zinc/01/21/67/431012167.db2.gz DGUGUUDIMMSWBB-QZTJIDSGSA-N 2 1 316.445 2.743 20 0 DFADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256608 431020485 /nfs/dbraw/zinc/02/04/85/431020485.db2.gz WZPWUSSWDHGGOR-GDBMZVCRSA-N 2 1 306.837 2.650 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263567 431022211 /nfs/dbraw/zinc/02/22/11/431022211.db2.gz NKPDAJMHOURFGK-CRAIPNDOSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263567 431022215 /nfs/dbraw/zinc/02/22/15/431022215.db2.gz NKPDAJMHOURFGK-CRAIPNDOSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263567 431022219 /nfs/dbraw/zinc/02/22/19/431022219.db2.gz NKPDAJMHOURFGK-CRAIPNDOSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263567 431022225 /nfs/dbraw/zinc/02/22/25/431022225.db2.gz NKPDAJMHOURFGK-CRAIPNDOSA-N 2 1 301.478 2.637 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263567 431022231 /nfs/dbraw/zinc/02/22/31/431022231.db2.gz NKPDAJMHOURFGK-CRAIPNDOSA-N 2 1 301.478 2.637 20 0 DFADMP CN1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C2(CCCCC2)C1 ZINC000662261774 431022479 /nfs/dbraw/zinc/02/24/79/431022479.db2.gz APKQCZFRQZIBCZ-UHFFFAOYSA-N 2 1 313.489 2.783 20 0 DFADMP C[N@@H+]1CCN(Cc2cccc3c2CC[NH2+]C3)C2(CCCCC2)C1 ZINC000662261774 431022481 /nfs/dbraw/zinc/02/24/81/431022481.db2.gz APKQCZFRQZIBCZ-UHFFFAOYSA-N 2 1 313.489 2.783 20 0 DFADMP C[N@H+]1CCN(Cc2cccc3c2CC[NH2+]C3)C2(CCCCC2)C1 ZINC000662261774 431022484 /nfs/dbraw/zinc/02/24/84/431022484.db2.gz APKQCZFRQZIBCZ-UHFFFAOYSA-N 2 1 313.489 2.783 20 0 DFADMP CC[N@@H+](CCCNC(=O)C[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000655484824 431024657 /nfs/dbraw/zinc/02/46/57/431024657.db2.gz YJCDTWSHPKECLH-MRXNPFEDSA-N 2 1 309.498 2.537 20 0 DFADMP Cc1cc(C)n([C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000652339210 431025169 /nfs/dbraw/zinc/02/51/69/431025169.db2.gz IBOMJNCIMZPBHQ-FQEVSTJZSA-N 2 1 324.472 2.983 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655484872 431025232 /nfs/dbraw/zinc/02/52/32/431025232.db2.gz ZIVSXZNUNCYLCD-PKOBYXMFSA-N 2 1 321.509 2.537 20 0 DFADMP C[NH2+]C[C@](C)(O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000652336861 431025703 /nfs/dbraw/zinc/02/57/03/431025703.db2.gz IJRLXBGAEFAUOY-UXHICEINSA-N 2 1 310.441 2.605 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3OC(F)F)C[C@@H]21 ZINC000662266300 431025993 /nfs/dbraw/zinc/02/59/93/431025993.db2.gz LHQWYENBTVTQAT-VHRBIJSZSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3OC(F)F)C[C@@H]21 ZINC000662266300 431025996 /nfs/dbraw/zinc/02/59/96/431025996.db2.gz LHQWYENBTVTQAT-VHRBIJSZSA-N 2 1 314.351 2.986 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652348590 431026925 /nfs/dbraw/zinc/02/69/25/431026925.db2.gz JBBXCATUBOVQDF-XPYUAMARSA-N 2 1 318.461 2.975 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662389000 431069328 /nfs/dbraw/zinc/06/93/28/431069328.db2.gz RZGZYACGQUHVLD-HNNXBMFYSA-N 2 1 315.461 2.674 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662273007 431027547 /nfs/dbraw/zinc/02/75/47/431027547.db2.gz JIXQEHZJPAIESW-AEFFLSMTSA-N 3 1 313.489 2.544 20 0 DFADMP CCc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652349391 431028723 /nfs/dbraw/zinc/02/87/23/431028723.db2.gz MZYFXARXSRULRK-IPMKNSEASA-N 2 1 302.462 2.967 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652353826 431029079 /nfs/dbraw/zinc/02/90/79/431029079.db2.gz FBDBXYMFWXRNSX-RHSMWYFYSA-N 2 1 303.450 2.637 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000652353826 431029081 /nfs/dbraw/zinc/02/90/81/431029081.db2.gz FBDBXYMFWXRNSX-RHSMWYFYSA-N 2 1 303.450 2.637 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000652355203 431030826 /nfs/dbraw/zinc/03/08/26/431030826.db2.gz QVIJBIWHSWKVCY-SUMWQHHRSA-N 2 1 321.440 2.912 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C[NH3+] ZINC000652358249 431031092 /nfs/dbraw/zinc/03/10/92/431031092.db2.gz NSTDYWZENOYOMA-SJLPKXTDSA-N 2 1 318.461 2.610 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2c(C)cc(C)c(C(C)=O)c2C)C[C@H]1C[NH3+] ZINC000652358249 431031099 /nfs/dbraw/zinc/03/10/99/431031099.db2.gz NSTDYWZENOYOMA-SJLPKXTDSA-N 2 1 318.461 2.610 20 0 DFADMP CN(c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1)C1CC1 ZINC000662273586 431031235 /nfs/dbraw/zinc/03/12/35/431031235.db2.gz OOWQSFJAOQYFSU-CQSZACIVSA-N 2 1 320.506 2.563 20 0 DFADMP CC(C)(C)c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)no1 ZINC000652363779 431032656 /nfs/dbraw/zinc/03/26/56/431032656.db2.gz NHODCPYPAXIQTO-BMFZPTHFSA-N 2 1 321.465 2.833 20 0 DFADMP CC(C)(C)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)no1 ZINC000652363779 431032659 /nfs/dbraw/zinc/03/26/59/431032659.db2.gz NHODCPYPAXIQTO-BMFZPTHFSA-N 2 1 321.465 2.833 20 0 DFADMP C[C@H]1C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286597 431035236 /nfs/dbraw/zinc/03/52/36/431035236.db2.gz RLKIWLGKIOAYKN-BBRMVZONSA-N 2 1 320.864 2.823 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662292334 431035426 /nfs/dbraw/zinc/03/54/26/431035426.db2.gz DQLPLHABVHUIRQ-SFHVURJKSA-N 3 1 313.489 2.544 20 0 DFADMP Cc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662290367 431035933 /nfs/dbraw/zinc/03/59/33/431035933.db2.gz RNTKXYRLUWGUFM-KRWDZBQOSA-N 2 1 315.461 2.645 20 0 DFADMP c1c2c(oc1-c1ccccc1)CC[N@H+](C[C@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662287281 431036376 /nfs/dbraw/zinc/03/63/76/431036376.db2.gz XPUWENLHIJBJTQ-QGZVFWFLSA-N 2 1 324.424 2.826 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000662389512 431069608 /nfs/dbraw/zinc/06/96/08/431069608.db2.gz YGLGJKUAPAISBB-CRAIPNDOSA-N 2 1 317.477 2.675 20 0 DFADMP Cc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312978 431042487 /nfs/dbraw/zinc/04/24/87/431042487.db2.gz DBRYEWYBVPARJK-NVXWUHKLSA-N 2 1 303.450 2.773 20 0 DFADMP Cc1cccc2nc(C[N@@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])cn21 ZINC000662316770 431043189 /nfs/dbraw/zinc/04/31/89/431043189.db2.gz NJQVVDLHRGHBOA-RHSMWYFYSA-N 2 1 300.450 2.982 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])c1cccs1 ZINC000662315855 431045017 /nfs/dbraw/zinc/04/50/17/431045017.db2.gz UFKUETCNSFUISW-RBSFLKMASA-N 2 1 323.506 2.765 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000662322121 431045981 /nfs/dbraw/zinc/04/59/81/431045981.db2.gz UJVYOIDJBLPRRX-GOSISDBHSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3ccccc3n2)CCO1 ZINC000662322121 431045986 /nfs/dbraw/zinc/04/59/86/431045986.db2.gz UJVYOIDJBLPRRX-GOSISDBHSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC000662320484 431046850 /nfs/dbraw/zinc/04/68/50/431046850.db2.gz GNMFZTMRDIYMMF-MRXNPFEDSA-N 2 1 302.418 2.975 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC000662320484 431046857 /nfs/dbraw/zinc/04/68/57/431046857.db2.gz GNMFZTMRDIYMMF-MRXNPFEDSA-N 2 1 302.418 2.975 20 0 DFADMP Cc1cc(C)cc(OCC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662320145 431048096 /nfs/dbraw/zinc/04/80/96/431048096.db2.gz RSELVYILJJBMFA-SFHVURJKSA-N 2 1 320.477 2.725 20 0 DFADMP Cc1cc(C)cc(OCC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662320145 431048100 /nfs/dbraw/zinc/04/81/00/431048100.db2.gz RSELVYILJJBMFA-SFHVURJKSA-N 2 1 320.477 2.725 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCc3ccccc3C2)CCO1 ZINC000662325877 431048176 /nfs/dbraw/zinc/04/81/76/431048176.db2.gz RWYBDMRUTFLBCU-XLIONFOSSA-N 2 1 316.489 2.834 20 0 DFADMP CCc1cc(N2CCC[N@@H+](Cc3nccn3CC)CC2)cc[nH+]1 ZINC000649269827 431051108 /nfs/dbraw/zinc/05/11/08/431051108.db2.gz IFHLPSIJMUHGDO-UHFFFAOYSA-N 2 1 313.449 2.573 20 0 DFADMP CCc1cc(N2CCC[N@H+](Cc3nccn3CC)CC2)cc[nH+]1 ZINC000649269827 431051111 /nfs/dbraw/zinc/05/11/11/431051111.db2.gz IFHLPSIJMUHGDO-UHFFFAOYSA-N 2 1 313.449 2.573 20 0 DFADMP CC(C)[NH2+]CC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000662386700 431070196 /nfs/dbraw/zinc/07/01/96/431070196.db2.gz FDZNSVKJMDWDBP-INIZCTEOSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)c1 ZINC000649298871 431060167 /nfs/dbraw/zinc/06/01/67/431060167.db2.gz DWUBUXZCPSWRQU-OIISXLGYSA-N 2 1 324.428 2.744 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])c2C1 ZINC000649313015 431066081 /nfs/dbraw/zinc/06/60/81/431066081.db2.gz XVSKYWGGVBEBIV-ZFWWWQNUSA-N 2 1 301.434 2.726 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@H]3C[NH3+])c2C1 ZINC000649313015 431066084 /nfs/dbraw/zinc/06/60/84/431066084.db2.gz XVSKYWGGVBEBIV-ZFWWWQNUSA-N 2 1 301.434 2.726 20 0 DFADMP CCc1oc2ccccc2c1C[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249155 431012533 /nfs/dbraw/zinc/01/25/33/431012533.db2.gz RAZYCKSSHONLDI-AWEZNQCLSA-N 2 1 314.429 2.948 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)c2C1 ZINC000655446322 431012606 /nfs/dbraw/zinc/01/26/06/431012606.db2.gz OCLPBJYRAPTWSW-QFBILLFUSA-N 2 1 313.445 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[C@@]34CCC[NH2+]C4)c2C1 ZINC000655446322 431012611 /nfs/dbraw/zinc/01/26/11/431012611.db2.gz OCLPBJYRAPTWSW-QFBILLFUSA-N 2 1 313.445 2.740 20 0 DFADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254819 431015307 /nfs/dbraw/zinc/01/53/07/431015307.db2.gz ADWDZXGMKJDYLK-FRFSOERESA-N 2 1 304.409 2.525 20 0 DFADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1C ZINC000662253836 431016232 /nfs/dbraw/zinc/01/62/32/431016232.db2.gz WZIZKQMHEJCNQF-ZWKOTPCHSA-N 2 1 300.446 2.961 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2F)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253978 431017222 /nfs/dbraw/zinc/01/72/22/431017222.db2.gz CTZCVLQARFBKDA-JKIFEVAISA-N 2 1 304.409 2.730 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258045 431018209 /nfs/dbraw/zinc/01/82/09/431018209.db2.gz WHKYVLRIFQGJJM-GVDBMIGSSA-N 2 1 300.446 2.694 20 0 DFADMP COc1cc(C)cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655738758 431108709 /nfs/dbraw/zinc/10/87/09/431108709.db2.gz XHKVSJRHVDRXGP-SFHVURJKSA-N 2 1 318.461 2.737 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(F)(F)F ZINC000655764092 431126323 /nfs/dbraw/zinc/12/63/23/431126323.db2.gz VLLRHKBDGSWHGW-ZDUSSCGKSA-N 2 1 308.388 2.808 20 0 DFADMP Cc1csc([C@@H](C)C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000655754323 431115089 /nfs/dbraw/zinc/11/50/89/431115089.db2.gz UFHUBJZVBFHVGZ-XJKSGUPXSA-N 2 1 323.506 2.788 20 0 DFADMP c1c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nn2c1CCCC2 ZINC000649488618 431121044 /nfs/dbraw/zinc/12/10/44/431121044.db2.gz TWXQWJQMYSIBPZ-UHFFFAOYSA-N 2 1 302.466 2.527 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H](C[NH3+])CC(C)C)c1 ZINC000662406370 431072978 /nfs/dbraw/zinc/07/29/78/431072978.db2.gz XOGQRCFOJKSSKK-SFHVURJKSA-N 2 1 319.493 2.766 20 0 DFADMP c1ccc(OC2CC2)c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000649351902 431073293 /nfs/dbraw/zinc/07/32/93/431073293.db2.gz NQVSMYFYIIZALL-UHFFFAOYSA-N 2 1 309.413 2.945 20 0 DFADMP Clc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655683548 431081091 /nfs/dbraw/zinc/08/10/91/431081091.db2.gz GTBWDXLWFLMEQO-KRWDZBQOSA-N 2 1 308.853 2.725 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@H]([NH3+])C2)CC1 ZINC000649378333 431081955 /nfs/dbraw/zinc/08/19/55/431081955.db2.gz YHWZNJLOHNNTLQ-NXHRZFHOSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CC[C@@H]([NH3+])C2)CC1 ZINC000649378331 431082657 /nfs/dbraw/zinc/08/26/57/431082657.db2.gz YHWZNJLOHNNTLQ-KBAYOESNSA-N 2 1 321.509 2.617 20 0 DFADMP CCOCc1ccccc1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655694958 431084926 /nfs/dbraw/zinc/08/49/26/431084926.db2.gz JGKRMZJNJPPMEI-IBGZPJMESA-N 2 1 318.461 2.566 20 0 DFADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COC1CCCC1 ZINC000655704221 431089381 /nfs/dbraw/zinc/08/93/81/431089381.db2.gz UCUOSXNRNXUCAV-GOSISDBHSA-N 2 1 310.482 2.569 20 0 DFADMP CCCOc1cccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655701328 431089519 /nfs/dbraw/zinc/08/95/19/431089519.db2.gz RYWULWJOVZVMQC-GOSISDBHSA-N 2 1 318.461 2.818 20 0 DFADMP Cc1cc(C)cc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655702228 431090667 /nfs/dbraw/zinc/09/06/67/431090667.db2.gz ZYXHHFSZGSRDTP-SFHVURJKSA-N 2 1 318.461 2.525 20 0 DFADMP c1csc(CC[NH+]2CCN(CCCC3CC[NH2+]CC3)CC2)c1 ZINC000649411594 431094173 /nfs/dbraw/zinc/09/41/73/431094173.db2.gz JPTFLPCKGIDXGN-UHFFFAOYSA-N 2 1 321.534 2.688 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(C[C@H]4CC[NH2+]C4)C3)C2)cc1 ZINC000649412909 431094259 /nfs/dbraw/zinc/09/42/59/431094259.db2.gz DAEPSCMQKVQDTH-VQTJNVASSA-N 2 1 313.489 2.584 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000649417995 431096310 /nfs/dbraw/zinc/09/63/10/431096310.db2.gz TXRCBPOYIXRXEL-IRXDYDNUSA-N 2 1 317.477 2.919 20 0 DFADMP Cc1ccc(O[C@@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655720209 431099385 /nfs/dbraw/zinc/09/93/85/431099385.db2.gz QADIWLLGEYWTAC-FUHWJXTLSA-N 2 1 318.461 2.605 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000652610547 431100330 /nfs/dbraw/zinc/10/03/30/431100330.db2.gz CAOBBRZXRDXERI-UHFFFAOYSA-N 2 1 306.454 2.505 20 0 DFADMP OCC[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000655723142 431101232 /nfs/dbraw/zinc/10/12/32/431101232.db2.gz IBHQMWCMBLWXNM-RTBURBONSA-N 2 1 324.509 2.551 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000655727702 431103646 /nfs/dbraw/zinc/10/36/46/431103646.db2.gz UBNSMDPQQHOQGE-SFHVURJKSA-N 2 1 320.452 2.946 20 0 DFADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728465 431104154 /nfs/dbraw/zinc/10/41/54/431104154.db2.gz UZBSUBBYYZIVAZ-CGTJXYLNSA-N 2 1 324.509 2.671 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCCCO1 ZINC000655733399 431105963 /nfs/dbraw/zinc/10/59/63/431105963.db2.gz MXHDSDRHRBYETJ-ROUUACIJSA-N 2 1 324.509 2.815 20 0 DFADMP c1ccc2c(c1)CC(CC[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000655736725 431108571 /nfs/dbraw/zinc/10/85/71/431108571.db2.gz HDPMNYXVJGTWNT-HXUWFJFHSA-N 2 1 314.473 2.634 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC000355410762 279040715 /nfs/dbraw/zinc/04/07/15/279040715.db2.gz KPQJWCSDRDEWPA-IYBDPMFKSA-N 2 1 317.477 2.627 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000355410762 279040717 /nfs/dbraw/zinc/04/07/17/279040717.db2.gz KPQJWCSDRDEWPA-IYBDPMFKSA-N 2 1 317.477 2.627 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC000355410762 279040718 /nfs/dbraw/zinc/04/07/18/279040718.db2.gz KPQJWCSDRDEWPA-IYBDPMFKSA-N 2 1 317.477 2.627 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H]2CCCC[C@@H]21 ZINC000645955953 431128164 /nfs/dbraw/zinc/12/81/64/431128164.db2.gz KAXDQZYPPSSTFN-OTWHNJEPSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CC[C@@H]2CCCC[C@@H]21 ZINC000645955953 431128169 /nfs/dbraw/zinc/12/81/69/431128169.db2.gz KAXDQZYPPSSTFN-OTWHNJEPSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000645955953 431128178 /nfs/dbraw/zinc/12/81/78/431128178.db2.gz KAXDQZYPPSSTFN-OTWHNJEPSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000645955953 431128181 /nfs/dbraw/zinc/12/81/81/431128181.db2.gz KAXDQZYPPSSTFN-OTWHNJEPSA-N 2 1 302.462 2.744 20 0 DFADMP FC1(F)CCCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655772088 431128406 /nfs/dbraw/zinc/12/84/06/431128406.db2.gz SSPOAVIAFHUCJB-ZFWWWQNUSA-N 2 1 302.409 2.655 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN1CC[NH+](Cc2ccccc2)C(C)(C)C1 ZINC000649509800 431134237 /nfs/dbraw/zinc/13/42/37/431134237.db2.gz HWMFIVMNWRYBOU-GOSISDBHSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]1CN1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000649509800 431134241 /nfs/dbraw/zinc/13/42/41/431134241.db2.gz HWMFIVMNWRYBOU-GOSISDBHSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]1CN1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000649509800 431134245 /nfs/dbraw/zinc/13/42/45/431134245.db2.gz HWMFIVMNWRYBOU-GOSISDBHSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H](c1cccc(F)c1)N(C)C ZINC000133464393 288102928 /nfs/dbraw/zinc/10/29/28/288102928.db2.gz VVEHBQKUZZQMJP-NONVJHHQSA-N 2 1 307.457 2.747 20 0 DFADMP FC1(F)CC(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655775100 431133166 /nfs/dbraw/zinc/13/31/66/431133166.db2.gz ONYGDXVJHIGIBQ-OAHLLOKOSA-N 2 1 302.409 2.655 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)CC(C)C ZINC000353847289 279147435 /nfs/dbraw/zinc/14/74/35/279147435.db2.gz SZZFNUPSNBNJHF-IAGOWNOFSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@H](CCNC(=O)CC[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000292027392 279265370 /nfs/dbraw/zinc/26/53/70/279265370.db2.gz GIANHBNBZSKTTE-SJLPKXTDSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371425604 279284774 /nfs/dbraw/zinc/28/47/74/279284774.db2.gz TXHJRGJJUADSIC-XLIONFOSSA-N 2 1 315.505 2.890 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H]2C[NH+]2CCCCC2)C1 ZINC000659873224 431164233 /nfs/dbraw/zinc/16/42/33/431164233.db2.gz MHYONMRQTFBFNU-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@@H]2CCCN2C)CC1)CC1CC1 ZINC000649573052 431167988 /nfs/dbraw/zinc/16/79/88/431167988.db2.gz RGRLJWACYJDNQK-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@H+](CCC1CCN(C[C@@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000649573052 431167992 /nfs/dbraw/zinc/16/79/92/431167992.db2.gz RGRLJWACYJDNQK-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@@H+](CCC1CCN(C[C@@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000649573052 431168000 /nfs/dbraw/zinc/16/80/00/431168000.db2.gz RGRLJWACYJDNQK-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+](CCC1CCN(C[C@@H]2CCC[N@@H+]2C)CC1)CC1CC1 ZINC000649573052 431168004 /nfs/dbraw/zinc/16/80/04/431168004.db2.gz RGRLJWACYJDNQK-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+](CCC1CCN(C[C@@H]2CCC[N@H+]2C)CC1)CC1CC1 ZINC000649573052 431168011 /nfs/dbraw/zinc/16/80/11/431168011.db2.gz RGRLJWACYJDNQK-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)CC2([NH3+])CCC2)[C@H]1c1cccs1 ZINC000646071309 431169480 /nfs/dbraw/zinc/16/94/80/431169480.db2.gz OUCZWOIKBNKDKJ-CJNGLKHVSA-N 2 1 321.490 2.519 20 0 DFADMP C[C@@H]1CN(C[C@@H]2CCC[N@@H+]2C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000649571955 431169868 /nfs/dbraw/zinc/16/98/68/431169868.db2.gz DTJFTSIRIXJBFX-AOIWGVFYSA-N 2 1 301.478 2.675 20 0 DFADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C)[C@@H](C)C[NH+]1Cc1ccccc1 ZINC000649571955 431169872 /nfs/dbraw/zinc/16/98/72/431169872.db2.gz DTJFTSIRIXJBFX-AOIWGVFYSA-N 2 1 301.478 2.675 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000649585513 431174587 /nfs/dbraw/zinc/17/45/87/431174587.db2.gz YMLGIIJMSALUNF-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000649585513 431174592 /nfs/dbraw/zinc/17/45/92/431174592.db2.gz YMLGIIJMSALUNF-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000649585513 431174595 /nfs/dbraw/zinc/17/45/95/431174595.db2.gz YMLGIIJMSALUNF-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000649585513 431174601 /nfs/dbraw/zinc/17/46/01/431174601.db2.gz YMLGIIJMSALUNF-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000649585513 431174604 /nfs/dbraw/zinc/17/46/04/431174604.db2.gz YMLGIIJMSALUNF-KVPLUYHFSA-N 2 1 315.505 2.827 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649585840 431174687 /nfs/dbraw/zinc/17/46/87/431174687.db2.gz HZZKWCXXCAMTQQ-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649585840 431174695 /nfs/dbraw/zinc/17/46/95/431174695.db2.gz HZZKWCXXCAMTQQ-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649585840 431174701 /nfs/dbraw/zinc/17/47/01/431174701.db2.gz HZZKWCXXCAMTQQ-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@@H]1CN(C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649586105 431176199 /nfs/dbraw/zinc/17/61/99/431176199.db2.gz SBDCNGUQKXQYTB-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649586105 431176202 /nfs/dbraw/zinc/17/62/02/431176202.db2.gz SBDCNGUQKXQYTB-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649586105 431176206 /nfs/dbraw/zinc/17/62/06/431176206.db2.gz SBDCNGUQKXQYTB-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@H]1CN(C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649586104 431176397 /nfs/dbraw/zinc/17/63/97/431176397.db2.gz SBDCNGUQKXQYTB-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649586104 431176402 /nfs/dbraw/zinc/17/64/02/431176402.db2.gz SBDCNGUQKXQYTB-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649586104 431176406 /nfs/dbraw/zinc/17/64/06/431176406.db2.gz SBDCNGUQKXQYTB-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659897597 431177677 /nfs/dbraw/zinc/17/76/77/431177677.db2.gz YKXPRKYJYZCOOI-WMZOPIPTSA-N 2 1 316.489 2.884 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000655851600 431187030 /nfs/dbraw/zinc/18/70/30/431187030.db2.gz ZIBPASFQNQGMCM-SIXLDLHFSA-N 2 1 316.445 2.981 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000646104710 431186988 /nfs/dbraw/zinc/18/69/88/431186988.db2.gz UOBYKBSWCZAMPK-UHFFFAOYSA-N 2 1 302.462 2.908 20 0 DFADMP Cc1nc(C(C)C)ccc1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106728 431187488 /nfs/dbraw/zinc/18/74/88/431187488.db2.gz OFJPZMTWUHITTN-UHFFFAOYSA-N 2 1 317.477 2.810 20 0 DFADMP Cc1nc(C(C)C)ccc1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106728 431187494 /nfs/dbraw/zinc/18/74/94/431187494.db2.gz OFJPZMTWUHITTN-UHFFFAOYSA-N 2 1 317.477 2.810 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCSc1ccccc1F)CCO2 ZINC000646103290 431188538 /nfs/dbraw/zinc/18/85/38/431188538.db2.gz AOWQIENHEILNLG-UHFFFAOYSA-N 2 1 324.465 2.714 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCSc1ccc(F)cc1)CCO2 ZINC000646103789 431189008 /nfs/dbraw/zinc/18/90/08/431189008.db2.gz OPVXWORTWRCCLE-UHFFFAOYSA-N 2 1 324.465 2.714 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@H](O)C(C)C)C2)s1 ZINC000649603425 431189945 /nfs/dbraw/zinc/18/99/45/431189945.db2.gz MALNQVFUCZEVBT-WBVHZDCISA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H](O)C(C)C)C2)s1 ZINC000649603425 431189954 /nfs/dbraw/zinc/18/99/54/431189954.db2.gz MALNQVFUCZEVBT-WBVHZDCISA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H](O)C(C)C)C2)s1 ZINC000649603425 431189955 /nfs/dbraw/zinc/18/99/55/431189955.db2.gz MALNQVFUCZEVBT-WBVHZDCISA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[NH+]1C[C@@H](O)C[N@H+](C)C(C)C ZINC000659931525 431194672 /nfs/dbraw/zinc/19/46/72/431194672.db2.gz OWKMXPJUDXRTTO-MOPGFXCFSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000659931525 431194680 /nfs/dbraw/zinc/19/46/80/431194680.db2.gz OWKMXPJUDXRTTO-MOPGFXCFSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[N@@H+]1C[C@@H](O)C[NH+](C)C(C)C ZINC000659931525 431194686 /nfs/dbraw/zinc/19/46/86/431194686.db2.gz OWKMXPJUDXRTTO-MOPGFXCFSA-N 2 1 304.478 2.703 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662788614 431195246 /nfs/dbraw/zinc/19/52/46/431195246.db2.gz PDBBXZINXNPYAW-OWCLPIDISA-N 2 1 319.493 2.512 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662787754 431196360 /nfs/dbraw/zinc/19/63/60/431196360.db2.gz FEDUDCWHWWKHCM-HLLBOEOZSA-N 2 1 319.493 2.525 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667418 431157500 /nfs/dbraw/zinc/15/75/00/431157500.db2.gz AAJXHNIHYQBZJG-HOCLYGCPSA-N 2 1 309.498 2.534 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865819 431157892 /nfs/dbraw/zinc/15/78/92/431157892.db2.gz QJQSEFVMZWIRLL-FHWLQOOXSA-N 2 1 308.510 2.981 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805579 431158336 /nfs/dbraw/zinc/15/83/36/431158336.db2.gz JESCUEJUCNWIDU-IJXRJRJASA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805579 431158341 /nfs/dbraw/zinc/15/83/41/431158341.db2.gz JESCUEJUCNWIDU-IJXRJRJASA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662676632 431159985 /nfs/dbraw/zinc/15/99/85/431159985.db2.gz ZTIFVFGGLVTENQ-FVQBIDKESA-N 2 1 301.434 2.737 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)CC2([NH3+])CC2)cc1 ZINC000662674996 431159998 /nfs/dbraw/zinc/15/99/98/431159998.db2.gz IIPSIYZMIJEZOT-CQSZACIVSA-N 2 1 301.434 2.881 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])CC1 ZINC000662824095 431205785 /nfs/dbraw/zinc/20/57/85/431205785.db2.gz AXNJWSNLWJAHBV-NXHRZFHOSA-N 2 1 321.509 2.617 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655907680 431214488 /nfs/dbraw/zinc/21/44/88/431214488.db2.gz MDJQYBKNKGKIEG-IRXDYDNUSA-N 2 1 316.449 2.544 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](C)CC23CCCCC3)C1 ZINC000659987602 431222750 /nfs/dbraw/zinc/22/27/50/431222750.db2.gz AYEALEWBELRNNI-ROUUACIJSA-N 2 1 307.526 2.915 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660013408 431233301 /nfs/dbraw/zinc/23/33/01/431233301.db2.gz XEDAXKXARXRJBX-MTQWCTHYSA-N 2 1 314.473 2.886 20 0 DFADMP C[N@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H](O)C1CC1 ZINC000663076512 431280560 /nfs/dbraw/zinc/28/05/60/431280560.db2.gz BFJDBNAQQMOLTC-LJQANCHMSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@H]1C[N@H+]([C@@H]2C[C@@H]2c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660154159 431292868 /nfs/dbraw/zinc/29/28/68/431292868.db2.gz JIDJWBGVDUFDBL-OJAHFUOMSA-N 2 1 313.489 2.500 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)c2ccc(F)cc2C[C@@H]1C ZINC000660165181 431296527 /nfs/dbraw/zinc/29/65/27/431296527.db2.gz UQYRHLSKWYQDTD-VBQJREDUSA-N 2 1 308.441 2.834 20 0 DFADMP [NH3+]C1(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)CCC1 ZINC000646401763 431297210 /nfs/dbraw/zinc/29/72/10/431297210.db2.gz WIWVPMRRVCZRGQ-UHFFFAOYSA-N 2 1 322.478 2.729 20 0 DFADMP CC(C)([NH3+])CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000646401804 431298235 /nfs/dbraw/zinc/29/82/35/431298235.db2.gz ZBCGZNVRKKTGDA-UHFFFAOYSA-N 2 1 310.467 2.585 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653199557 431303615 /nfs/dbraw/zinc/30/36/15/431303615.db2.gz JMGPUPWBAPBUQL-MRXNPFEDSA-N 2 1 309.498 2.537 20 0 DFADMP C[C@@H](CC[NH+](C)C)Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656112877 431266151 /nfs/dbraw/zinc/26/61/51/431266151.db2.gz LZNIRIJPTMEZNI-AWEZNQCLSA-N 2 1 305.470 2.855 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1ccccc1CC[NH3+] ZINC000653110917 431270519 /nfs/dbraw/zinc/27/05/19/431270519.db2.gz YQBWXBMZUGNSMX-MRXNPFEDSA-N 2 1 317.477 2.572 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](NCc2nc(C)oc2C)[C@@H](C)C1 ZINC000660303947 431368849 /nfs/dbraw/zinc/36/88/49/431368849.db2.gz AAXNZCHNSPHSKO-XJKSGUPXSA-N 2 1 309.454 2.518 20 0 DFADMP FCCOCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000663339218 431370308 /nfs/dbraw/zinc/37/03/08/431370308.db2.gz SWOKJVNZBDIVLA-QGZVFWFLSA-N 2 1 306.425 2.759 20 0 DFADMP FCCOCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000663339218 431370315 /nfs/dbraw/zinc/37/03/15/431370315.db2.gz SWOKJVNZBDIVLA-QGZVFWFLSA-N 2 1 306.425 2.759 20 0 DFADMP COc1cc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000660257898 431346278 /nfs/dbraw/zinc/34/62/78/431346278.db2.gz XQLVLLFBGAVJLQ-STQMWFEESA-N 2 1 309.479 2.894 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000660257898 431346283 /nfs/dbraw/zinc/34/62/83/431346283.db2.gz XQLVLLFBGAVJLQ-STQMWFEESA-N 2 1 309.479 2.894 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000660257898 431346287 /nfs/dbraw/zinc/34/62/87/431346287.db2.gz XQLVLLFBGAVJLQ-STQMWFEESA-N 2 1 309.479 2.894 20 0 DFADMP CCCCC[N@H+](CCNC1=[NH+]CCCN1)Cc1ccccc1 ZINC000656508716 431415371 /nfs/dbraw/zinc/41/53/71/431415371.db2.gz ZQALTOBAKXUGGU-UHFFFAOYSA-N 2 1 302.466 2.618 20 0 DFADMP CCCCC[N@@H+](CCNC1=[NH+]CCCN1)Cc1ccccc1 ZINC000656508716 431415375 /nfs/dbraw/zinc/41/53/75/431415375.db2.gz ZQALTOBAKXUGGU-UHFFFAOYSA-N 2 1 302.466 2.618 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416393 431420336 /nfs/dbraw/zinc/42/03/36/431420336.db2.gz QVMNNFDVXQJOLZ-DLBZAZTESA-N 2 1 323.525 2.687 20 0 DFADMP c1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)o2)n[nH]1 ZINC000663344375 431373997 /nfs/dbraw/zinc/37/39/97/431373997.db2.gz SHXGSBORYAOZGF-HNNXBMFYSA-N 2 1 314.433 2.881 20 0 DFADMP c1cc(-c2ccc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)o2)n[nH]1 ZINC000663344375 431374006 /nfs/dbraw/zinc/37/40/06/431374006.db2.gz SHXGSBORYAOZGF-HNNXBMFYSA-N 2 1 314.433 2.881 20 0 DFADMP c1ccc(N2CC[C@@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663347159 431375451 /nfs/dbraw/zinc/37/54/51/431375451.db2.gz ZWHHUWFBZKZTHO-RTBURBONSA-N 2 1 313.489 2.977 20 0 DFADMP c1cc2c(cc1C[NH2+]C[C@@H]1CCC[N@@H+](CC3CC3)C1)OCCO2 ZINC000663347289 431375583 /nfs/dbraw/zinc/37/55/83/431375583.db2.gz JBVYFUQSRHSYQT-KRWDZBQOSA-N 2 1 316.445 2.669 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(OC)c1 ZINC000663347318 431377730 /nfs/dbraw/zinc/37/77/30/431377730.db2.gz KFICMTCVXXVLAD-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(OC)c1 ZINC000663347318 431377736 /nfs/dbraw/zinc/37/77/36/431377736.db2.gz KFICMTCVXXVLAD-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cnc(C4CC4)nc3)C2)c1 ZINC000656430731 431379723 /nfs/dbraw/zinc/37/97/23/431379723.db2.gz SXJUJWFOHRWYIG-HNNXBMFYSA-N 2 1 323.444 2.991 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H]1CCC[NH2+]CC1 ZINC000666855433 431387250 /nfs/dbraw/zinc/38/72/50/431387250.db2.gz RHFYQXYDHXHOLI-GOSISDBHSA-N 2 1 303.494 2.876 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855433 431387255 /nfs/dbraw/zinc/38/72/55/431387255.db2.gz RHFYQXYDHXHOLI-GOSISDBHSA-N 3 1 303.494 2.876 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666855433 431387260 /nfs/dbraw/zinc/38/72/60/431387260.db2.gz RHFYQXYDHXHOLI-GOSISDBHSA-N 3 1 303.494 2.876 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(NCC3(C)CC[NH2+]CC3)n2)C1 ZINC000653472021 431390442 /nfs/dbraw/zinc/39/04/42/431390442.db2.gz CYZBUFHITGLHCD-UHFFFAOYSA-N 2 1 317.481 2.905 20 0 DFADMP CO[C@H](C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000660347936 431392047 /nfs/dbraw/zinc/39/20/47/431392047.db2.gz LHPXLWGTODMXEZ-DOTOQJQBSA-N 2 1 305.466 2.973 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000660347936 431392053 /nfs/dbraw/zinc/39/20/53/431392053.db2.gz LHPXLWGTODMXEZ-DOTOQJQBSA-N 2 1 305.466 2.973 20 0 DFADMP CN(C(=O)CC[NH2+]CCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000663373356 431392211 /nfs/dbraw/zinc/39/22/11/431392211.db2.gz BCHXSJXXESUMPV-UHFFFAOYSA-N 2 1 303.450 2.504 20 0 DFADMP CO[C@@H](C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000660347939 431392502 /nfs/dbraw/zinc/39/25/02/431392502.db2.gz LHPXLWGTODMXEZ-WBVHZDCISA-N 2 1 305.466 2.973 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000660347939 431392506 /nfs/dbraw/zinc/39/25/06/431392506.db2.gz LHPXLWGTODMXEZ-WBVHZDCISA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666878591 431392679 /nfs/dbraw/zinc/39/26/79/431392679.db2.gz TZITVPRXSNTQJB-DYVFJYSZSA-N 2 1 318.852 2.672 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N3CCC[C@@H](CC[NH3+])C3)n2)C1 ZINC000653472369 431393099 /nfs/dbraw/zinc/39/30/99/431393099.db2.gz NZANEFKBNFUYIS-HNNXBMFYSA-N 2 1 317.481 2.668 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCNC[C@H]1c1cccc(Cl)c1 ZINC000663494020 431442495 /nfs/dbraw/zinc/44/24/95/431442495.db2.gz KKPXUWQKYQVNFI-UNEWFSDZSA-N 2 1 307.869 2.532 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCNC[C@H]1c1cccc(Cl)c1 ZINC000663494020 431442501 /nfs/dbraw/zinc/44/25/01/431442501.db2.gz KKPXUWQKYQVNFI-UNEWFSDZSA-N 2 1 307.869 2.532 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1Cl ZINC000663498525 431445959 /nfs/dbraw/zinc/44/59/59/431445959.db2.gz PKKPMWSHGUTQHF-SFYCDEOASA-N 2 1 321.852 2.707 20 0 DFADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3csc(C4CC4)n3)CC2)C1 ZINC000667054177 431461146 /nfs/dbraw/zinc/46/11/46/431461146.db2.gz SXIBMHOVKIPNCO-GOEBONIOSA-N 2 1 321.490 2.739 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3csc(C4CC4)n3)CC2)C1 ZINC000667054176 431461454 /nfs/dbraw/zinc/46/14/54/431461454.db2.gz SXIBMHOVKIPNCO-GDBMZVCRSA-N 2 1 321.490 2.739 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000653622572 431466739 /nfs/dbraw/zinc/46/67/39/431466739.db2.gz JKLMGQWSIZTEQT-LJQANCHMSA-N 2 1 311.429 2.874 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000653622572 431466748 /nfs/dbraw/zinc/46/67/48/431466748.db2.gz JKLMGQWSIZTEQT-LJQANCHMSA-N 2 1 311.429 2.874 20 0 DFADMP C[N@H+](CCc1noc2ccccc12)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000653629343 431468090 /nfs/dbraw/zinc/46/80/90/431468090.db2.gz USOOFQXITQJBML-AWEZNQCLSA-N 2 1 310.401 2.761 20 0 DFADMP C[N@@H+](CCc1noc2ccccc12)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000653629343 431468094 /nfs/dbraw/zinc/46/80/94/431468094.db2.gz USOOFQXITQJBML-AWEZNQCLSA-N 2 1 310.401 2.761 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)Nc2ccn3ccnc3c2)C1 ZINC000666975142 431431029 /nfs/dbraw/zinc/43/10/29/431431029.db2.gz ITVIZBIGKSZLDT-ZDUSSCGKSA-N 2 1 315.421 2.576 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000663607221 431481435 /nfs/dbraw/zinc/48/14/35/431481435.db2.gz FXAIZLCKCJSKQU-IAGOWNOFSA-N 2 1 317.477 2.973 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)[nH+]1 ZINC000663607221 431481440 /nfs/dbraw/zinc/48/14/40/431481440.db2.gz FXAIZLCKCJSKQU-IAGOWNOFSA-N 2 1 317.477 2.973 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000666983179 431434410 /nfs/dbraw/zinc/43/44/10/431434410.db2.gz YEFLNWHITZADEG-FZKQIMNGSA-N 2 1 314.433 2.502 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000656783874 431518971 /nfs/dbraw/zinc/51/89/71/431518971.db2.gz AYIOXJZMYAUWSX-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000656784569 431519496 /nfs/dbraw/zinc/51/94/96/431519496.db2.gz FMEFMVYJKPMSDY-MRXNPFEDSA-N 2 1 303.450 2.692 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786214 431521671 /nfs/dbraw/zinc/52/16/71/431521671.db2.gz PTVGVLPJQCWFNG-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cn1 ZINC000656785540 431522115 /nfs/dbraw/zinc/52/21/15/431522115.db2.gz LSQRHIVFMGNCHY-KRWDZBQOSA-N 2 1 304.482 2.850 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@H](c2cccc(Cl)c2)C1 ZINC000660632480 431523099 /nfs/dbraw/zinc/52/30/99/431523099.db2.gz OORMIFJMQNMAKF-DOTOQJQBSA-N 2 1 310.869 2.830 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+][C@@H]1CCO[C@@H](c2cccnc2)C1 ZINC000647245548 431525944 /nfs/dbraw/zinc/52/59/44/431525944.db2.gz LQXIXEOIWSUVIZ-SJLPKXTDSA-N 2 1 312.417 2.553 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660651493 431528406 /nfs/dbraw/zinc/52/84/06/431528406.db2.gz AMMNRYRRJTUBAA-SFNKJDCFSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000656695866 431482637 /nfs/dbraw/zinc/48/26/37/431482637.db2.gz SUWGSKPDBQTWRM-QZTJIDSGSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000656695866 431482642 /nfs/dbraw/zinc/48/26/42/431482642.db2.gz SUWGSKPDBQTWRM-QZTJIDSGSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000656695866 431482646 /nfs/dbraw/zinc/48/26/46/431482646.db2.gz SUWGSKPDBQTWRM-QZTJIDSGSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000656695866 431482651 /nfs/dbraw/zinc/48/26/51/431482651.db2.gz SUWGSKPDBQTWRM-QZTJIDSGSA-N 2 1 308.441 2.534 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000647168671 431489341 /nfs/dbraw/zinc/48/93/41/431489341.db2.gz GWLOIGPCCCWKOK-UHFFFAOYSA-N 2 1 316.449 2.954 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000647172457 431491302 /nfs/dbraw/zinc/49/13/02/431491302.db2.gz XOZGANHQVOBLTO-HZPDHXFCSA-N 2 1 314.433 2.705 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000647172457 431491307 /nfs/dbraw/zinc/49/13/07/431491307.db2.gz XOZGANHQVOBLTO-HZPDHXFCSA-N 2 1 314.433 2.705 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cncnc2OC)c1 ZINC000647171937 431493311 /nfs/dbraw/zinc/49/33/11/431493311.db2.gz BDBQHYAYSPHAEX-UHFFFAOYSA-N 2 1 314.433 2.617 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)(C)O ZINC000647178528 431494820 /nfs/dbraw/zinc/49/48/20/431494820.db2.gz XJYKLGFHCSTKMG-NVXWUHKLSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)(C)O ZINC000647178528 431494825 /nfs/dbraw/zinc/49/48/25/431494825.db2.gz XJYKLGFHCSTKMG-NVXWUHKLSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000647186453 431501588 /nfs/dbraw/zinc/50/15/88/431501588.db2.gz MWJQAYGBRINSQV-DOMZBBRYSA-N 2 1 302.422 2.561 20 0 DFADMP OCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647193345 431505209 /nfs/dbraw/zinc/50/52/09/431505209.db2.gz VSCXEIKMLQOTLY-KRWDZBQOSA-N 2 1 300.446 2.688 20 0 DFADMP OCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647193345 431505212 /nfs/dbraw/zinc/50/52/12/431505212.db2.gz VSCXEIKMLQOTLY-KRWDZBQOSA-N 2 1 300.446 2.688 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660652546 431532408 /nfs/dbraw/zinc/53/24/08/431532408.db2.gz KBRBNNOIZGBHSA-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000660652546 431532412 /nfs/dbraw/zinc/53/24/12/431532412.db2.gz KBRBNNOIZGBHSA-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660652546 431532417 /nfs/dbraw/zinc/53/24/17/431532417.db2.gz KBRBNNOIZGBHSA-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660652546 431532420 /nfs/dbraw/zinc/53/24/20/431532420.db2.gz KBRBNNOIZGBHSA-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP C[C@H](CC[NH2+]Cc1ccnn1-c1ccccn1)[NH+]1CCCCC1 ZINC000647201073 431508688 /nfs/dbraw/zinc/50/86/88/431508688.db2.gz ZADHKIRYWHMXDC-MRXNPFEDSA-N 2 1 313.449 2.621 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647205666 431510227 /nfs/dbraw/zinc/51/02/27/431510227.db2.gz LPQJSWSJVRWIRS-GBESFXJTSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647205666 431510233 /nfs/dbraw/zinc/51/02/33/431510233.db2.gz LPQJSWSJVRWIRS-GBESFXJTSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C3CCC3)C[C@H](C)C2)C1 ZINC000660613571 431514762 /nfs/dbraw/zinc/51/47/62/431514762.db2.gz OVXGWLUWNHLCAM-FGTMMUONSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000660613571 431514765 /nfs/dbraw/zinc/51/47/65/431514765.db2.gz OVXGWLUWNHLCAM-FGTMMUONSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](C3CCC3)C[C@H](C)C2)C1 ZINC000660613571 431514780 /nfs/dbraw/zinc/51/47/80/431514780.db2.gz OVXGWLUWNHLCAM-FGTMMUONSA-N 2 1 307.526 2.771 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660658832 431534846 /nfs/dbraw/zinc/53/48/46/431534846.db2.gz HTEVRNUWKNJGNB-LJQANCHMSA-N 2 1 312.461 2.534 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660658832 431534854 /nfs/dbraw/zinc/53/48/54/431534854.db2.gz HTEVRNUWKNJGNB-LJQANCHMSA-N 2 1 312.461 2.534 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660658832 431534864 /nfs/dbraw/zinc/53/48/64/431534864.db2.gz HTEVRNUWKNJGNB-LJQANCHMSA-N 2 1 312.461 2.534 20 0 DFADMP CC[NH+](CCCNC(=O)C[N@H+](CC)C1CC1)C1CCCCC1 ZINC000650372935 431540151 /nfs/dbraw/zinc/54/01/51/431540151.db2.gz GBZPGHURZLMXMV-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CC(=O)NCCC[N@H+](CC)C1CCCCC1)C1CC1 ZINC000650372935 431540158 /nfs/dbraw/zinc/54/01/58/431540158.db2.gz GBZPGHURZLMXMV-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CC(=O)NCCC[N@@H+](CC)C1CCCCC1)C1CC1 ZINC000650372935 431540164 /nfs/dbraw/zinc/54/01/64/431540164.db2.gz GBZPGHURZLMXMV-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000647314072 431547458 /nfs/dbraw/zinc/54/74/58/431547458.db2.gz MIPRQUQGLSCNGW-KBXIAJHMSA-N 2 1 306.475 2.858 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCc2ncn(C)n2)cc1 ZINC000647325533 431549307 /nfs/dbraw/zinc/54/93/07/431549307.db2.gz IQRQXYBFWYJRIX-AWEZNQCLSA-N 2 1 324.432 2.593 20 0 DFADMP Cc1ccc(C)c(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c1 ZINC000660693489 431552539 /nfs/dbraw/zinc/55/25/39/431552539.db2.gz ZRAZERMFCKFZOB-UHFFFAOYSA-N 2 1 304.478 2.876 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H](c2ccco2)[NH+]2CCCCC2)CC[N@H+]1C ZINC000154004475 280010510 /nfs/dbraw/zinc/01/05/10/280010510.db2.gz JLVJKFPHXHJOFG-BBWFWOEESA-N 2 1 305.466 2.879 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3c(cccc3C)n2)[C@H](C)C1 ZINC000647364998 431565634 /nfs/dbraw/zinc/56/56/34/431565634.db2.gz VVORENISMLHGEZ-PBHICJAKSA-N 2 1 300.450 2.505 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000113198565 280254278 /nfs/dbraw/zinc/25/42/78/280254278.db2.gz SJBHVVPRAGFABJ-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)CC[C@@H]1[NH3+] ZINC000647497759 431604785 /nfs/dbraw/zinc/60/47/85/431604785.db2.gz UDYAOCBVLVTWGF-YJBOKZPZSA-N 2 1 312.461 2.955 20 0 DFADMP Cc1ncc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)o1 ZINC000657102904 431599798 /nfs/dbraw/zinc/59/97/98/431599798.db2.gz GGGDGHVURYBTLC-UHFFFAOYSA-N 2 1 303.406 2.603 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479434 431603146 /nfs/dbraw/zinc/60/31/46/431603146.db2.gz GSWDHADSCPCJJZ-QZTJIDSGSA-N 2 1 316.493 2.890 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479434 431603154 /nfs/dbraw/zinc/60/31/54/431603154.db2.gz GSWDHADSCPCJJZ-QZTJIDSGSA-N 2 1 316.493 2.890 20 0 DFADMP CC(C)(C)C(=O)N1CCC[C@H](C[NH2+]C(C)(C)C[NH+]2CCCC2)C1 ZINC000660762469 431583815 /nfs/dbraw/zinc/58/38/15/431583815.db2.gz LSBYHSROVFMSRM-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650705754 431654283 /nfs/dbraw/zinc/65/42/83/431654283.db2.gz UKTKFFIXKVVKQS-JENIJYKNSA-N 2 1 318.461 2.804 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705344 431654410 /nfs/dbraw/zinc/65/44/10/431654410.db2.gz FAMTZQJDZUXREV-LNLFQRSKSA-N 2 1 318.461 2.804 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3scnc3C3CC3)C2)C1 ZINC000650707745 431654927 /nfs/dbraw/zinc/65/49/27/431654927.db2.gz MGLRRVKRLOKGBG-RRFJBIMHSA-N 2 1 321.490 2.739 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705869 431655110 /nfs/dbraw/zinc/65/51/10/431655110.db2.gz ZFTOOUFLHNBGAE-VBQJREDUSA-N 2 1 310.388 2.683 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](C)[C@H]3CC[NH3+])cnc21 ZINC000650710978 431656013 /nfs/dbraw/zinc/65/60/13/431656013.db2.gz DWOPDHQEHVIEHM-WMLDXEAASA-N 2 1 315.465 2.962 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)s2)cn1 ZINC000650709512 431656305 /nfs/dbraw/zinc/65/63/05/431656305.db2.gz CPJSJABCGZFKND-YOEHRIQHSA-N 2 1 316.474 2.709 20 0 DFADMP CN(CCC[NH2+]Cc1ccnn1CC1CC1)Cc1ccccc1 ZINC000657297045 431657006 /nfs/dbraw/zinc/65/70/06/431657006.db2.gz ZPNLQXGGQWWHIT-UHFFFAOYSA-N 2 1 312.461 2.905 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647496555 431605326 /nfs/dbraw/zinc/60/53/26/431605326.db2.gz UTASYJQGLPJNTL-CXAGYDPISA-N 2 1 318.852 2.754 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647496555 431605332 /nfs/dbraw/zinc/60/53/32/431605332.db2.gz UTASYJQGLPJNTL-CXAGYDPISA-N 2 1 318.852 2.754 20 0 DFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1cc(-c2ccccc2)cs1 ZINC000647492888 431605509 /nfs/dbraw/zinc/60/55/09/431605509.db2.gz GMLNEPFHCSPYDK-UHFFFAOYSA-N 2 1 315.486 2.752 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497672 431606485 /nfs/dbraw/zinc/60/64/85/431606485.db2.gz PYBBXVGPMOORSX-AEFFLSMTSA-N 2 1 316.424 2.630 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@@H]1[NH3+] ZINC000647497672 431606488 /nfs/dbraw/zinc/60/64/88/431606488.db2.gz PYBBXVGPMOORSX-AEFFLSMTSA-N 2 1 316.424 2.630 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)ccc1OC ZINC000647498883 431609053 /nfs/dbraw/zinc/60/90/53/431609053.db2.gz SNKWQRPYBVYXOF-WBVHZDCISA-N 2 1 306.450 2.791 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000647531255 431617544 /nfs/dbraw/zinc/61/75/44/431617544.db2.gz KAFMNRTYKVCOMG-UHFFFAOYSA-N 2 1 311.429 2.974 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000660829744 431617726 /nfs/dbraw/zinc/61/77/26/431617726.db2.gz GKZWZDMKXWBJGU-MOPGFXCFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000660829744 431617729 /nfs/dbraw/zinc/61/77/29/431617729.db2.gz GKZWZDMKXWBJGU-MOPGFXCFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000660829744 431617738 /nfs/dbraw/zinc/61/77/38/431617738.db2.gz GKZWZDMKXWBJGU-MOPGFXCFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542762 431622387 /nfs/dbraw/zinc/62/23/87/431622387.db2.gz BNWGGKISVOBOTC-IAGOWNOFSA-N 2 1 304.482 2.850 20 0 DFADMP Cc1cccn2c(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543407 431624223 /nfs/dbraw/zinc/62/42/23/431624223.db2.gz MUOPTNOKKDEAHL-IRXDYDNUSA-N 2 1 312.461 2.854 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000647542985 431624499 /nfs/dbraw/zinc/62/44/99/431624499.db2.gz FWAQWLFMEYJMTG-DLBZAZTESA-N 2 1 304.482 2.731 20 0 DFADMP COCc1cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000647544231 431626438 /nfs/dbraw/zinc/62/64/38/431626438.db2.gz YKKGMRYTXAMPEC-KGLIPLIRSA-N 2 1 309.479 2.501 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]Cc2ccc(C[NH3+])cc2F)s1 ZINC000650718282 431661116 /nfs/dbraw/zinc/66/11/16/431661116.db2.gz FWAZNURFERQIHO-UHFFFAOYSA-N 2 1 322.453 2.877 20 0 DFADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000647549497 431627091 /nfs/dbraw/zinc/62/70/91/431627091.db2.gz DGVYQOZBTPXYEI-YPMHNXCESA-N 2 1 302.340 2.715 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000660898566 431649061 /nfs/dbraw/zinc/64/90/61/431649061.db2.gz IBJJKZIGKUBASS-MOPGFXCFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000660898566 431649065 /nfs/dbraw/zinc/64/90/65/431649065.db2.gz IBJJKZIGKUBASS-MOPGFXCFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000660898566 431649067 /nfs/dbraw/zinc/64/90/67/431649067.db2.gz IBJJKZIGKUBASS-MOPGFXCFSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000660898566 431649071 /nfs/dbraw/zinc/64/90/71/431649071.db2.gz IBJJKZIGKUBASS-MOPGFXCFSA-N 2 1 322.468 2.924 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650724017 431664384 /nfs/dbraw/zinc/66/43/84/431664384.db2.gz XGFNJBFWAOSNPI-KZNAEPCWSA-N 2 1 320.481 2.633 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722695 431664645 /nfs/dbraw/zinc/66/46/45/431664645.db2.gz ZYPOYWBHRKRZOH-JQHSSLGASA-N 2 1 304.434 2.556 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657311435 431665180 /nfs/dbraw/zinc/66/51/80/431665180.db2.gz KHPWYYKBZQEQSG-OAHLLOKOSA-N 2 1 304.482 2.899 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000657309698 431665359 /nfs/dbraw/zinc/66/53/59/431665359.db2.gz QMLZFIVTOKTIHR-OALUTQOASA-N 2 1 302.462 2.851 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(Br)c2C)C1 ZINC000657315065 431667965 /nfs/dbraw/zinc/66/79/65/431667965.db2.gz HKOJWJYRCUWELD-GFCCVEGCSA-N 2 1 312.255 2.584 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cncc(Br)c2C)C1 ZINC000657315065 431667968 /nfs/dbraw/zinc/66/79/68/431667968.db2.gz HKOJWJYRCUWELD-GFCCVEGCSA-N 2 1 312.255 2.584 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cn1 ZINC000650724506 431669567 /nfs/dbraw/zinc/66/95/67/431669567.db2.gz HWQDBTARPOJIMT-IPMKNSEASA-N 2 1 317.477 2.683 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000657314822 431669564 /nfs/dbraw/zinc/66/95/64/431669564.db2.gz AZDRKGREBIHNID-DOTOQJQBSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(Br)c2C)C1 ZINC000657315066 431671266 /nfs/dbraw/zinc/67/12/66/431671266.db2.gz HKOJWJYRCUWELD-LBPRGKRZSA-N 2 1 312.255 2.584 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(Br)c2C)C1 ZINC000657315066 431671272 /nfs/dbraw/zinc/67/12/72/431671272.db2.gz HKOJWJYRCUWELD-LBPRGKRZSA-N 2 1 312.255 2.584 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCc2cnc3n2CCC3)C1 ZINC000657325974 431677733 /nfs/dbraw/zinc/67/77/33/431677733.db2.gz QJKLRNDALCAANR-GASCZTMLSA-N 2 1 304.482 2.675 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[NH+]1CCC(C)CC1 ZINC000647788390 431687606 /nfs/dbraw/zinc/68/76/06/431687606.db2.gz INQIPBISMLXQNP-NCXUSEDFSA-N 3 1 307.526 2.721 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000377618399 280551215 /nfs/dbraw/zinc/55/12/15/280551215.db2.gz GQVRCSLRLYGMEW-QGZVFWFLSA-N 2 1 314.408 2.991 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)CO1 ZINC000657373152 431708082 /nfs/dbraw/zinc/70/80/82/431708082.db2.gz VZPCTAWOFPPKAS-IRXDYDNUSA-N 2 1 321.465 2.661 20 0 DFADMP Cc1cc(CO)cc(NCc2ccccc2C[N@@H+](C)C(C)C)[nH+]1 ZINC000647856897 431708141 /nfs/dbraw/zinc/70/81/41/431708141.db2.gz VNUYUQMWCRAATL-UHFFFAOYSA-N 2 1 313.445 2.757 20 0 DFADMP Cc1cc(CO)cc(NCc2ccccc2C[N@H+](C)C(C)C)[nH+]1 ZINC000647856897 431708144 /nfs/dbraw/zinc/70/81/44/431708144.db2.gz VNUYUQMWCRAATL-UHFFFAOYSA-N 2 1 313.445 2.757 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000657376554 431710787 /nfs/dbraw/zinc/71/07/87/431710787.db2.gz RYFDRBCWBYOJDR-ZOBUZTSGSA-N 2 1 306.450 2.673 20 0 DFADMP Cc1cc(N2C[C@H]([NH+]3CCOCC3)C[C@@H]2C)c2ccccc2[nH+]1 ZINC000286391647 280588223 /nfs/dbraw/zinc/58/82/23/280588223.db2.gz PANHMFCJEWDSKU-JKSUJKDBSA-N 2 1 311.429 2.843 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)c(F)c1 ZINC000650716541 431662387 /nfs/dbraw/zinc/66/23/87/431662387.db2.gz BLVPKMPFPYDIDM-IEBWSBKVSA-N 2 1 313.420 2.867 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650723263 431663918 /nfs/dbraw/zinc/66/39/18/431663918.db2.gz KMPIUTMMPONRAC-KSZLIROESA-N 2 1 306.425 2.995 20 0 DFADMP CC[C@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1[NH3+] ZINC000647934955 431735671 /nfs/dbraw/zinc/73/56/71/431735671.db2.gz VLMRTMDBRPJQAR-NHYWBVRUSA-N 2 1 300.805 2.917 20 0 DFADMP CC[C@H]1C[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000647936802 431736021 /nfs/dbraw/zinc/73/60/21/431736021.db2.gz LPMNKLMGLUOXEE-OQGULXLBSA-N 2 1 321.509 2.615 20 0 DFADMP CC[C@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000647936802 431736026 /nfs/dbraw/zinc/73/60/26/431736026.db2.gz LPMNKLMGLUOXEE-OQGULXLBSA-N 2 1 321.509 2.615 20 0 DFADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccccc1Cl ZINC000647957057 431746079 /nfs/dbraw/zinc/74/60/79/431746079.db2.gz KCBNIDFQLNXGAB-KRWDZBQOSA-N 2 1 321.852 2.744 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2noc3c2CCCC3)C[C@H]1c1ccccc1 ZINC000647953989 431747928 /nfs/dbraw/zinc/74/79/28/431747928.db2.gz ZMSYBCFPONCQKZ-WBVHZDCISA-N 2 1 311.429 2.728 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2noc3c2CCCC3)C[C@H]1c1ccccc1 ZINC000647953989 431747932 /nfs/dbraw/zinc/74/79/32/431747932.db2.gz ZMSYBCFPONCQKZ-WBVHZDCISA-N 2 1 311.429 2.728 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964153 431753549 /nfs/dbraw/zinc/75/35/49/431753549.db2.gz VJCKSAOBOBXKNS-OALUTQOASA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964153 431753558 /nfs/dbraw/zinc/75/35/58/431753558.db2.gz VJCKSAOBOBXKNS-OALUTQOASA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964153 431753564 /nfs/dbraw/zinc/75/35/64/431753564.db2.gz VJCKSAOBOBXKNS-OALUTQOASA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)C1 ZINC000647964153 431753567 /nfs/dbraw/zinc/75/35/67/431753567.db2.gz VJCKSAOBOBXKNS-OALUTQOASA-N 2 1 304.478 2.741 20 0 DFADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977994 431761712 /nfs/dbraw/zinc/76/17/12/431761712.db2.gz KTOQTNBTLVAEPG-CABCVRRESA-N 2 1 303.450 2.765 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976910 431762688 /nfs/dbraw/zinc/76/26/88/431762688.db2.gz VZVMBICPMBJRRL-BRWVUGGUSA-N 2 1 315.461 2.725 20 0 DFADMP C[NH+](C)CCC[N@H+](C)CCNc1cncc(-c2cccs2)n1 ZINC000664244415 431714441 /nfs/dbraw/zinc/71/44/41/431714441.db2.gz HNELNUWQNDLHLJ-UHFFFAOYSA-N 2 1 319.478 2.501 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CCNc1cncc(-c2cccs2)n1 ZINC000664244415 431714451 /nfs/dbraw/zinc/71/44/51/431714451.db2.gz HNELNUWQNDLHLJ-UHFFFAOYSA-N 2 1 319.478 2.501 20 0 DFADMP OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647881599 431715467 /nfs/dbraw/zinc/71/54/67/431715467.db2.gz RCBSVIBDSAZBRR-ZDUSSCGKSA-N 2 1 317.260 2.787 20 0 DFADMP OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CC[NH2+]C1 ZINC000647881599 431715470 /nfs/dbraw/zinc/71/54/70/431715470.db2.gz RCBSVIBDSAZBRR-ZDUSSCGKSA-N 2 1 317.260 2.787 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881624 431716874 /nfs/dbraw/zinc/71/68/74/431716874.db2.gz VRLAWSOZAWBMLD-FUHWJXTLSA-N 2 1 323.525 2.783 20 0 DFADMP CCC[N@@H+](CCOCc1ccc(OC)cc1)C1CC[NH2+]CC1 ZINC000647895347 431720503 /nfs/dbraw/zinc/72/05/03/431720503.db2.gz OOXNBOQWNHFBBN-UHFFFAOYSA-N 2 1 306.450 2.676 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647902803 431723153 /nfs/dbraw/zinc/72/31/53/431723153.db2.gz CDOIGTVEXZSTTL-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP CC(C)O[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648047662 431800667 /nfs/dbraw/zinc/80/06/67/431800667.db2.gz KNIHFWTYPPKWPQ-GOSISDBHSA-N 2 1 306.450 2.626 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C/c1ccc(F)cc1)CCO2 ZINC000648071455 431807569 /nfs/dbraw/zinc/80/75/69/431807569.db2.gz COWSRUVHRJVKLJ-NSCUHMNNSA-N 2 1 304.409 2.636 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C/c1ccc(F)cc1)CCO2 ZINC000648071455 431807574 /nfs/dbraw/zinc/80/75/74/431807574.db2.gz COWSRUVHRJVKLJ-NSCUHMNNSA-N 2 1 304.409 2.636 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3cnccc31)CCO2 ZINC000648072234 431808761 /nfs/dbraw/zinc/80/87/61/431808761.db2.gz SDLZBAMFFRSWGT-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP COc1ccccc1/C=C\C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071679 431808924 /nfs/dbraw/zinc/80/89/24/431808924.db2.gz OJVIAPKGVSOQDU-ALCCZGGFSA-N 2 1 316.445 2.505 20 0 DFADMP COc1ccccc1/C=C\C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648071679 431808928 /nfs/dbraw/zinc/80/89/28/431808928.db2.gz OJVIAPKGVSOQDU-ALCCZGGFSA-N 2 1 316.445 2.505 20 0 DFADMP C([C@@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000647990415 431766793 /nfs/dbraw/zinc/76/67/93/431766793.db2.gz YSTWVRFDRYMQKY-ZIAGYGMSSA-N 2 1 305.491 2.811 20 0 DFADMP CCC[N@@H+](C[C@@H]1CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000647991221 431767189 /nfs/dbraw/zinc/76/71/89/431767189.db2.gz MEHNBGWUHQMALR-HZPDHXFCSA-N 2 1 303.450 2.725 20 0 DFADMP Cc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657594242 431820436 /nfs/dbraw/zinc/82/04/36/431820436.db2.gz HIEOYBDVXXUTEL-FQEVSTJZSA-N 2 1 310.441 2.851 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1(CO)CC1 ZINC000657608063 431824088 /nfs/dbraw/zinc/82/40/88/431824088.db2.gz PKOMBYKKGNJXAB-AEFFLSMTSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1(CO)CC1 ZINC000657608063 431824090 /nfs/dbraw/zinc/82/40/90/431824090.db2.gz PKOMBYKKGNJXAB-AEFFLSMTSA-N 2 1 314.473 2.934 20 0 DFADMP c1ccc([C@@H]2CO[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000657657128 431834003 /nfs/dbraw/zinc/83/40/03/431834003.db2.gz WBMDWUHOMFLKGH-MANSERQUSA-N 2 1 300.446 2.776 20 0 DFADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000261987396 281045754 /nfs/dbraw/zinc/04/57/54/281045754.db2.gz BAJDACCXUXGBST-ZFWWWQNUSA-N 2 1 300.402 2.518 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](C[C@H](C)O)[C@H](C)C1 ZINC000248399560 281308106 /nfs/dbraw/zinc/30/81/06/281308106.db2.gz VYZHWFRKYCBKCV-CVEARBPZSA-N 2 1 313.445 2.743 20 0 DFADMP Cc1ccccc1C1(O)CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000364052222 281335802 /nfs/dbraw/zinc/33/58/02/281335802.db2.gz BCTQHTJLPIHFIV-QGZVFWFLSA-N 2 1 302.462 2.763 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263140652 281538781 /nfs/dbraw/zinc/53/87/81/281538781.db2.gz CGSLCUMDOJSIQH-VKJFTORMSA-N 2 1 318.465 2.517 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1Cl ZINC000180979240 289287045 /nfs/dbraw/zinc/28/70/45/289287045.db2.gz IQXVISAIKNBGGE-RDJZCZTQSA-N 2 1 323.868 2.591 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=O)C2([NH3+])CCCCC2)[C@@H]1c1cccs1 ZINC000372097821 290194000 /nfs/dbraw/zinc/19/40/00/290194000.db2.gz CYEBOEJKDQHZOK-UKRRQHHQSA-N 2 1 321.490 2.519 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H]2CCC[C@@H]21 ZINC000353635275 290224165 /nfs/dbraw/zinc/22/41/65/290224165.db2.gz ZJMLAYUHIPFFIA-NCOADZHNSA-N 2 1 324.534 2.894 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426850 290230766 /nfs/dbraw/zinc/23/07/66/290230766.db2.gz ZHPDZFIZOWFFPF-DNVCBOLYSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCF ZINC000375801038 297020116 /nfs/dbraw/zinc/02/01/16/297020116.db2.gz GWOUBVPTNNRWKF-ZBRFXRBCSA-N 2 1 312.473 2.994 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]1CCF ZINC000375801038 297020119 /nfs/dbraw/zinc/02/01/19/297020119.db2.gz GWOUBVPTNNRWKF-ZBRFXRBCSA-N 2 1 312.473 2.994 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437848967 297072078 /nfs/dbraw/zinc/07/20/78/297072078.db2.gz XILHEGPOVKHPFS-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437848967 297072080 /nfs/dbraw/zinc/07/20/80/297072080.db2.gz XILHEGPOVKHPFS-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437848967 297072083 /nfs/dbraw/zinc/07/20/83/297072083.db2.gz XILHEGPOVKHPFS-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OCC(C)C)C2(C)C)CC1 ZINC000156698167 295339655 /nfs/dbraw/zinc/33/96/55/295339655.db2.gz PPUVAZCIAAFYCL-DLBZAZTESA-N 2 1 312.498 2.527 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158129275 295358879 /nfs/dbraw/zinc/35/88/79/295358879.db2.gz UNGWTGMXTXNCBG-ZIAGYGMSSA-N 2 1 315.461 2.909 20 0 DFADMP CCC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccccn1 ZINC000158626751 295365301 /nfs/dbraw/zinc/36/53/01/295365301.db2.gz ZTWRDQVYTVVTNB-GOSISDBHSA-N 2 1 318.509 2.930 20 0 DFADMP Cc1nn(C)c2sc([C@@H](C)[NH2+][C@@H]3CCc4[nH+]ccn4C3)cc12 ZINC000367895027 295452337 /nfs/dbraw/zinc/45/23/37/295452337.db2.gz GWYOLBNANWJROS-VXGBXAGGSA-N 2 1 315.446 2.805 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)N(C)C(C)C)cc1 ZINC000411473815 295541562 /nfs/dbraw/zinc/54/15/62/295541562.db2.gz KNFLOGSYDBAFLP-CQSZACIVSA-N 2 1 314.433 2.698 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC[C@H]3CCOC3)CC2)oc1C ZINC000438208926 297084724 /nfs/dbraw/zinc/08/47/24/297084724.db2.gz BYYSRNJOVIHMAN-KRWDZBQOSA-N 2 1 321.465 2.520 20 0 DFADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)c1 ZINC000438203290 297084828 /nfs/dbraw/zinc/08/48/28/297084828.db2.gz ROBSIRYFCBQFQB-JKSUJKDBSA-N 2 1 308.491 2.976 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)c1 ZINC000438203290 297084831 /nfs/dbraw/zinc/08/48/31/297084831.db2.gz ROBSIRYFCBQFQB-JKSUJKDBSA-N 2 1 308.491 2.976 20 0 DFADMP C[C@@H](CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000438558076 297098722 /nfs/dbraw/zinc/09/87/22/297098722.db2.gz ZYALEAJCTZIWJX-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000438838124 297104522 /nfs/dbraw/zinc/10/45/22/297104522.db2.gz DMSBNXTXOHQREP-FJBKBRRZSA-N 2 1 304.438 2.621 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000438838124 297104523 /nfs/dbraw/zinc/10/45/23/297104523.db2.gz DMSBNXTXOHQREP-FJBKBRRZSA-N 2 1 304.438 2.621 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@H]34)CC2)n1 ZINC000438838125 297104596 /nfs/dbraw/zinc/10/45/96/297104596.db2.gz DMSBNXTXOHQREP-QDIHITRGSA-N 2 1 304.438 2.621 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+]4CCCC[C@H]34)CC2)n1 ZINC000438838125 297104598 /nfs/dbraw/zinc/10/45/98/297104598.db2.gz DMSBNXTXOHQREP-QDIHITRGSA-N 2 1 304.438 2.621 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440145691 297145396 /nfs/dbraw/zinc/14/53/96/297145396.db2.gz AYWISINBBCXJHN-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440145691 297145397 /nfs/dbraw/zinc/14/53/97/297145397.db2.gz AYWISINBBCXJHN-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440145691 297145398 /nfs/dbraw/zinc/14/53/98/297145398.db2.gz AYWISINBBCXJHN-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440145688 297145453 /nfs/dbraw/zinc/14/54/53/297145453.db2.gz AYWISINBBCXJHN-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440145688 297145454 /nfs/dbraw/zinc/14/54/54/297145454.db2.gz AYWISINBBCXJHN-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440145688 297145456 /nfs/dbraw/zinc/14/54/56/297145456.db2.gz AYWISINBBCXJHN-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1ccccc1CCC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000440328075 297149911 /nfs/dbraw/zinc/14/99/11/297149911.db2.gz RYIBBZZGUZSECF-QGZVFWFLSA-N 2 1 304.478 2.705 20 0 DFADMP COC(=O)CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000440693070 297161569 /nfs/dbraw/zinc/16/15/69/297161569.db2.gz MCYPYKKCXMJFGX-DLBZAZTESA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000440693070 297161570 /nfs/dbraw/zinc/16/15/70/297161570.db2.gz MCYPYKKCXMJFGX-DLBZAZTESA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000440693070 297161571 /nfs/dbraw/zinc/16/15/71/297161571.db2.gz MCYPYKKCXMJFGX-DLBZAZTESA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000440693070 297161574 /nfs/dbraw/zinc/16/15/74/297161574.db2.gz MCYPYKKCXMJFGX-DLBZAZTESA-N 2 1 322.493 2.916 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440829356 297166920 /nfs/dbraw/zinc/16/69/20/297166920.db2.gz IYWCNPABUYKAJN-NSHDSACASA-N 2 1 304.360 2.639 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440829356 297166921 /nfs/dbraw/zinc/16/69/21/297166921.db2.gz IYWCNPABUYKAJN-NSHDSACASA-N 2 1 304.360 2.639 20 0 DFADMP CO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441373855 297181719 /nfs/dbraw/zinc/18/17/19/297181719.db2.gz CJOVXANROZFGMP-PFJGLKMASA-N 2 1 312.498 2.621 20 0 DFADMP CO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441373855 297181720 /nfs/dbraw/zinc/18/17/20/297181720.db2.gz CJOVXANROZFGMP-PFJGLKMASA-N 2 1 312.498 2.621 20 0 DFADMP CO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441373855 297181723 /nfs/dbraw/zinc/18/17/23/297181723.db2.gz CJOVXANROZFGMP-PFJGLKMASA-N 2 1 312.498 2.621 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)n2)ccc1F ZINC000442780119 297205334 /nfs/dbraw/zinc/20/53/34/297205334.db2.gz NDWAIAJPXYPEFK-FRRDWIJNSA-N 2 1 318.396 2.914 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)n2)ccc1F ZINC000442780119 297205338 /nfs/dbraw/zinc/20/53/38/297205338.db2.gz NDWAIAJPXYPEFK-FRRDWIJNSA-N 2 1 318.396 2.914 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)n2)ccc1F ZINC000442780121 297205622 /nfs/dbraw/zinc/20/56/22/297205622.db2.gz NDWAIAJPXYPEFK-RWMBFGLXSA-N 2 1 318.396 2.914 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)n2)ccc1F ZINC000442780121 297205623 /nfs/dbraw/zinc/20/56/23/297205623.db2.gz NDWAIAJPXYPEFK-RWMBFGLXSA-N 2 1 318.396 2.914 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC(C(F)F)CC2)CCCO1 ZINC000442849672 297208098 /nfs/dbraw/zinc/20/80/98/297208098.db2.gz CKPMPAFNUDKSKL-WLYUNCDWSA-N 2 1 304.425 2.901 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC(C(F)F)CC2)CCCO1 ZINC000442849672 297208100 /nfs/dbraw/zinc/20/81/00/297208100.db2.gz CKPMPAFNUDKSKL-WLYUNCDWSA-N 2 1 304.425 2.901 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(Cl)cc32)CC1(C)C ZINC000442860008 297208525 /nfs/dbraw/zinc/20/85/25/297208525.db2.gz AZFMJIQYVSNZKV-KRWDZBQOSA-N 2 1 321.896 2.943 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C1CCC(F)(F)CC1 ZINC000442869976 297208850 /nfs/dbraw/zinc/20/88/50/297208850.db2.gz CDAMLYLNYKUQCS-CQSZACIVSA-N 2 1 317.468 2.816 20 0 DFADMP C[C@H](CCc1ccccc1F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442868534 297208919 /nfs/dbraw/zinc/20/89/19/297208919.db2.gz CMXYXCBCNMIWPW-MRXNPFEDSA-N 2 1 321.484 2.762 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CCC[C@H](CC[NH3+])C1)OCCO2 ZINC000442919372 297211268 /nfs/dbraw/zinc/21/12/68/297211268.db2.gz ITSRROVITQOHKO-CYBMUJFWSA-N 2 1 322.474 2.741 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)co2)cc1 ZINC000443054868 297213520 /nfs/dbraw/zinc/21/35/20/297213520.db2.gz AQCVVDNQCHIDRM-CQSZACIVSA-N 2 1 315.417 2.911 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058455 297213862 /nfs/dbraw/zinc/21/38/62/297213862.db2.gz AFGGYCNMKFNOCS-HOTGVXAUSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443061955 297214392 /nfs/dbraw/zinc/21/43/92/297214392.db2.gz SOWLMBTWVLSRKO-JKSUJKDBSA-N 2 1 303.450 2.691 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000443062683 297214470 /nfs/dbraw/zinc/21/44/70/297214470.db2.gz UYYAUDKEJCPWAV-OAHLLOKOSA-N 2 1 311.429 2.839 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000443068361 297214903 /nfs/dbraw/zinc/21/49/03/297214903.db2.gz HVYZPMKAFYXBSV-CQSZACIVSA-N 2 1 302.397 2.572 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443078666 297215561 /nfs/dbraw/zinc/21/55/61/297215561.db2.gz XIOYXOZKHMXSSC-CVEARBPZSA-N 2 1 303.450 2.691 20 0 DFADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444659197 297243822 /nfs/dbraw/zinc/24/38/22/297243822.db2.gz CNLTWHRKPNTWPT-MAUKXSAKSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CCCC2)cc1 ZINC000446889899 297289604 /nfs/dbraw/zinc/28/96/04/297289604.db2.gz DAEXSUNDHPHSRN-RTBURBONSA-N 2 1 302.462 2.883 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CCCC2)cc1 ZINC000446889899 297289605 /nfs/dbraw/zinc/28/96/05/297289605.db2.gz DAEXSUNDHPHSRN-RTBURBONSA-N 2 1 302.462 2.883 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007941 297292607 /nfs/dbraw/zinc/29/26/07/297292607.db2.gz RVKSQZZWDRUIGZ-JKSUJKDBSA-N 2 1 318.465 2.523 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007941 297292609 /nfs/dbraw/zinc/29/26/09/297292609.db2.gz RVKSQZZWDRUIGZ-JKSUJKDBSA-N 2 1 318.465 2.523 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(C)cn2)C[C@@H]1C ZINC000447007941 297292611 /nfs/dbraw/zinc/29/26/11/297292611.db2.gz RVKSQZZWDRUIGZ-JKSUJKDBSA-N 2 1 318.465 2.523 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1)C1CC1 ZINC000447506625 297305762 /nfs/dbraw/zinc/30/57/62/297305762.db2.gz DHGUVYKZAYXGLV-RHSMWYFYSA-N 2 1 315.461 2.541 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000447736636 297315041 /nfs/dbraw/zinc/31/50/41/297315041.db2.gz OANNERPSCWQLAY-IRXDYDNUSA-N 2 1 304.478 2.957 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000449034188 297395033 /nfs/dbraw/zinc/39/50/33/297395033.db2.gz INQSAYCPQMJJHI-AWEZNQCLSA-N 2 1 316.424 2.610 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000449034188 297395034 /nfs/dbraw/zinc/39/50/34/297395034.db2.gz INQSAYCPQMJJHI-AWEZNQCLSA-N 2 1 316.424 2.610 20 0 DFADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000449063673 297399269 /nfs/dbraw/zinc/39/92/69/297399269.db2.gz QNASQAVLVSOHPW-INIZCTEOSA-N 2 1 314.429 2.833 20 0 DFADMP COCC1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000449223799 297425364 /nfs/dbraw/zinc/42/53/64/297425364.db2.gz KJCIZQCGWPSSNO-UHFFFAOYSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@@H](Cc1ccoc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000449225483 297425499 /nfs/dbraw/zinc/42/54/99/297425499.db2.gz OQVYAOHGKRUHLI-INIZCTEOSA-N 2 1 306.450 2.835 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CSc3ccccc32)CC1 ZINC000449363923 297454545 /nfs/dbraw/zinc/45/45/45/297454545.db2.gz MYHJPDCVTGQMMS-CQSZACIVSA-N 2 1 306.475 2.576 20 0 DFADMP CCN(C)C(=O)[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(C)C ZINC000449442550 297468399 /nfs/dbraw/zinc/46/83/99/297468399.db2.gz ZYZUPYNYXAHAEK-SFHVURJKSA-N 2 1 323.525 2.876 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccc(Cl)cc1 ZINC000453099385 298061683 /nfs/dbraw/zinc/06/16/83/298061683.db2.gz KSSDSGDKUAYKLQ-DJIMGWMZSA-N 2 1 310.869 2.563 20 0 DFADMP CCn1ccnc1[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000453113819 298063281 /nfs/dbraw/zinc/06/32/81/298063281.db2.gz GFAIOVXMUVYPNT-HNNXBMFYSA-N 2 1 313.449 2.926 20 0 DFADMP CC(C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453118963 298064031 /nfs/dbraw/zinc/06/40/31/298064031.db2.gz VOCAYZJVHHXCHS-KURKYZTESA-N 2 1 302.462 2.790 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C(F)F ZINC000453123049 298065053 /nfs/dbraw/zinc/06/50/53/298065053.db2.gz FPVOWEALZRWCFT-YLFCFFPRSA-N 2 1 324.415 2.645 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453260197 298077195 /nfs/dbraw/zinc/07/71/95/298077195.db2.gz CSYKJZATJNSNNU-ABAIWWIYSA-N 2 1 300.805 2.788 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000453268237 298078993 /nfs/dbraw/zinc/07/89/93/298078993.db2.gz NTTYWVTYVNWTJK-MANSERQUSA-N 2 1 302.462 2.707 20 0 DFADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453313948 298082793 /nfs/dbraw/zinc/08/27/93/298082793.db2.gz DZGFTEDHBSZOOF-KMFMINBZSA-N 2 1 310.869 3.000 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000453402816 298090461 /nfs/dbraw/zinc/09/04/61/298090461.db2.gz NYACBIPLXRGVDE-IEBWSBKVSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cn1 ZINC000453402816 298090463 /nfs/dbraw/zinc/09/04/63/298090463.db2.gz NYACBIPLXRGVDE-IEBWSBKVSA-N 2 1 324.472 2.970 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H]1C ZINC000453411658 298091695 /nfs/dbraw/zinc/09/16/95/298091695.db2.gz VWRAHJDPVKHOKD-BFYDXBDKSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000453418529 298092814 /nfs/dbraw/zinc/09/28/14/298092814.db2.gz YHJYMQGJNALVNE-UZLBHIALSA-N 2 1 324.472 2.828 20 0 DFADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C[C@@H]2CCCCN12 ZINC000453444137 298096880 /nfs/dbraw/zinc/09/68/80/298096880.db2.gz OBCLLZRIXAMWIX-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496350500 300050650 /nfs/dbraw/zinc/05/06/50/300050650.db2.gz NRSPPBQBKSYNHN-HNNXBMFYSA-N 2 1 313.486 2.565 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496350500 300050652 /nfs/dbraw/zinc/05/06/52/300050652.db2.gz NRSPPBQBKSYNHN-HNNXBMFYSA-N 2 1 313.486 2.565 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496350500 300050656 /nfs/dbraw/zinc/05/06/56/300050656.db2.gz NRSPPBQBKSYNHN-HNNXBMFYSA-N 2 1 313.486 2.565 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496350500 300050659 /nfs/dbraw/zinc/05/06/59/300050659.db2.gz NRSPPBQBKSYNHN-HNNXBMFYSA-N 2 1 313.486 2.565 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000496778171 300112791 /nfs/dbraw/zinc/11/27/91/300112791.db2.gz PHRMBNODEIXBHX-CQSZACIVSA-N 2 1 313.486 2.706 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000496778171 300112793 /nfs/dbraw/zinc/11/27/93/300112793.db2.gz PHRMBNODEIXBHX-CQSZACIVSA-N 2 1 313.486 2.706 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1)C1CC1 ZINC000496977978 300141769 /nfs/dbraw/zinc/14/17/69/300141769.db2.gz KSSGBMKSOYINPX-UHFFFAOYSA-N 2 1 311.470 2.506 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000497095365 300160780 /nfs/dbraw/zinc/16/07/80/300160780.db2.gz NHHDQBCYWGODIH-GFCCVEGCSA-N 2 1 314.389 2.566 20 0 DFADMP CC[C@H]([NH2+]CC1([NH+](C)C)CCCCC1)C1(C(=O)OC)CCC1 ZINC000497852981 300192707 /nfs/dbraw/zinc/19/27/07/300192707.db2.gz LZVJKRZOCZDHNL-HNNXBMFYSA-N 2 1 310.482 2.962 20 0 DFADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CC[C@H]1CCC[N@H+]1C ZINC000502903417 300218620 /nfs/dbraw/zinc/21/86/20/300218620.db2.gz DEIXDRGWTAFPAC-KSZLIROESA-N 2 1 322.493 2.915 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]CC2(C)COC2)C[N@H+]1Cc1ccccc1 ZINC000512044623 300252063 /nfs/dbraw/zinc/25/20/63/300252063.db2.gz GYVMOZYXUAAMGE-AEFFLSMTSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2ccnn2C)C[N@H+]1Cc1ccccc1 ZINC000513493594 300257773 /nfs/dbraw/zinc/25/77/73/300257773.db2.gz BNXFQEUTLLGBTN-WMZOPIPTSA-N 2 1 312.461 2.810 20 0 DFADMP c1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000514666959 300265131 /nfs/dbraw/zinc/26/51/31/300265131.db2.gz DRZPSEKLZNBRIW-BRWVUGGUSA-N 2 1 300.402 2.680 20 0 DFADMP C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)[C@H]1CCC[NH2+]1 ZINC000516450342 300342897 /nfs/dbraw/zinc/34/28/97/300342897.db2.gz CYWBKJINYKPAIG-MLGOLLRUSA-N 2 1 303.381 2.753 20 0 DFADMP C[C@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000517226266 300388635 /nfs/dbraw/zinc/38/86/35/300388635.db2.gz JYGGPKITHCKEGK-OCCSQVGLSA-N 2 1 306.454 2.892 20 0 DFADMP CCn1nnc(C)c1C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000519076110 300442623 /nfs/dbraw/zinc/44/26/23/300442623.db2.gz YNVZDCZVUQMTKR-CYBMUJFWSA-N 2 1 324.432 2.951 20 0 DFADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000519607419 300462965 /nfs/dbraw/zinc/46/29/65/300462965.db2.gz PDLSOLXGYJPMNR-GFCCVEGCSA-N 2 1 312.417 2.543 20 0 DFADMP CCCc1csc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)n1 ZINC000519811208 300479365 /nfs/dbraw/zinc/47/93/65/300479365.db2.gz PLBFYTRPYGHYEP-GOEBONIOSA-N 2 1 323.506 2.814 20 0 DFADMP C[C@@H]([NH2+]Cc1cc(F)c(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC000530219519 301030894 /nfs/dbraw/zinc/03/08/94/301030894.db2.gz JMZYKQBKNHXBHM-BDAKNGLRSA-N 2 1 319.193 2.815 20 0 DFADMP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C[C@@H](C)O1 ZINC000530722861 301065131 /nfs/dbraw/zinc/06/51/31/301065131.db2.gz DAPMPMAEHLFJSY-HUUCEWRRSA-N 2 1 316.449 2.542 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000531984236 301123142 /nfs/dbraw/zinc/12/31/42/301123142.db2.gz POAXBUUFVAYHEZ-ZIFCJYIRSA-N 2 1 307.526 2.961 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccccc2)nc1)CC1CC[NH+](C)CC1 ZINC000537636401 301306689 /nfs/dbraw/zinc/30/66/89/301306689.db2.gz MFRKZXFBFUIPES-UHFFFAOYSA-N 2 1 310.445 2.917 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnc(C3CC3)s2)C1 ZINC000538752101 301330972 /nfs/dbraw/zinc/33/09/72/301330972.db2.gz ITOASPOGTIBXPA-HNNXBMFYSA-N 2 1 323.506 2.953 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]C2CCN(C)CC2)C[N@H+]1Cc1ccccc1 ZINC000540141401 301358261 /nfs/dbraw/zinc/35/82/61/301358261.db2.gz LLFDNOSKTCNKDL-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000540141401 301358265 /nfs/dbraw/zinc/35/82/65/301358265.db2.gz LLFDNOSKTCNKDL-IEBWSBKVSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C)CC2)C[N@H+]1Cc1ccccc1 ZINC000540141401 301358269 /nfs/dbraw/zinc/35/82/69/301358269.db2.gz LLFDNOSKTCNKDL-IEBWSBKVSA-N 3 1 315.505 2.971 20 0 DFADMP CC(C)[C@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)Cc1ccccc1 ZINC000563002962 302024210 /nfs/dbraw/zinc/02/42/10/302024210.db2.gz MUCXASLZHBMQEC-HKUYNNGSSA-N 2 1 304.478 2.546 20 0 DFADMP CC(C)[C@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)Cc1ccccc1 ZINC000563002962 302024212 /nfs/dbraw/zinc/02/42/12/302024212.db2.gz MUCXASLZHBMQEC-HKUYNNGSSA-N 2 1 304.478 2.546 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H]3CN(Cc4cnccn4)CC[C@@H]32)cc1 ZINC000563090959 302036560 /nfs/dbraw/zinc/03/65/60/302036560.db2.gz IIICJVUYZSVDDE-ICSRJNTNSA-N 2 1 322.456 2.963 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3(O)CCC3)C2)s1 ZINC000563217397 302051165 /nfs/dbraw/zinc/05/11/65/302051165.db2.gz OSKHLRNLFXQSBD-OAHLLOKOSA-N 2 1 308.491 2.725 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3(O)CCC3)C2)s1 ZINC000563217397 302051167 /nfs/dbraw/zinc/05/11/67/302051167.db2.gz OSKHLRNLFXQSBD-OAHLLOKOSA-N 2 1 308.491 2.725 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3(O)CCC3)C2)s1 ZINC000563217397 302051168 /nfs/dbraw/zinc/05/11/68/302051168.db2.gz OSKHLRNLFXQSBD-OAHLLOKOSA-N 2 1 308.491 2.725 20 0 DFADMP CCc1ccc(-c2noc(C[NH+]3CCC(CC[NH3+])CC3)n2)cc1 ZINC000563276142 302057072 /nfs/dbraw/zinc/05/70/72/302057072.db2.gz ZEOGURNEDZFLRX-UHFFFAOYSA-N 2 1 314.433 2.860 20 0 DFADMP Cc1ccc(C2(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CCC2)cc1C ZINC000563881617 302105480 /nfs/dbraw/zinc/10/54/80/302105480.db2.gz DXEUJUXTUVEEFQ-IBGZPJMESA-N 2 1 316.489 2.770 20 0 DFADMP Cc1ccc(C2(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)CCC2)cc1C ZINC000563881617 302105482 /nfs/dbraw/zinc/10/54/82/302105482.db2.gz DXEUJUXTUVEEFQ-IBGZPJMESA-N 2 1 316.489 2.770 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000563961216 302112501 /nfs/dbraw/zinc/11/25/01/302112501.db2.gz XMTOBSNLPFCVBI-SZMVWBNQSA-N 2 1 317.477 2.798 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cnn(C)c3)C2)s1 ZINC000564293260 302126445 /nfs/dbraw/zinc/12/64/45/302126445.db2.gz CQHIQSYVGZRSCX-HNNXBMFYSA-N 2 1 318.490 2.744 20 0 DFADMP Cc1ccc2cc[nH+]c(N3CCC([N@@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000564725034 302153968 /nfs/dbraw/zinc/15/39/68/302153968.db2.gz NSFXBIFAZJFAPH-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP Cc1ccc2cc[nH+]c(N3CCC([N@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000564725034 302153970 /nfs/dbraw/zinc/15/39/70/302153970.db2.gz NSFXBIFAZJFAPH-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)cc1 ZINC000564989555 302179494 /nfs/dbraw/zinc/17/94/94/302179494.db2.gz RBLDRGMAXLUOOM-LMMKCTJWSA-N 2 1 318.461 2.629 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000565770479 302241360 /nfs/dbraw/zinc/24/13/60/302241360.db2.gz WDUVVRBKTVNJBZ-PBHICJAKSA-N 2 1 310.869 2.565 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565952064 302250166 /nfs/dbraw/zinc/25/01/66/302250166.db2.gz ZMQIYTMPXIVHBR-GOSISDBHSA-N 2 1 314.408 2.791 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000565952064 302250168 /nfs/dbraw/zinc/25/01/68/302250168.db2.gz ZMQIYTMPXIVHBR-GOSISDBHSA-N 2 1 314.408 2.791 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2cnn(C)c2c1 ZINC000566088555 302258388 /nfs/dbraw/zinc/25/83/88/302258388.db2.gz ALGCULDUYJFQQF-KDOFPFPSSA-N 2 1 308.429 2.621 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)o1 ZINC000566732218 302308031 /nfs/dbraw/zinc/30/80/31/302308031.db2.gz GKVYIOKJVHCNQL-YYESSZKYSA-N 2 1 304.434 2.650 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCC(C)(C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000566866401 302318385 /nfs/dbraw/zinc/31/83/85/302318385.db2.gz SHXSHVDUDIRSMX-YJBOKZPZSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)c1ccc(CCC[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000567689469 302379844 /nfs/dbraw/zinc/37/98/44/302379844.db2.gz KQMKFPVQWVKMTQ-IBGZPJMESA-N 2 1 304.478 2.787 20 0 DFADMP CC(C)c1ccc(CCC[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000567689469 302379847 /nfs/dbraw/zinc/37/98/47/302379847.db2.gz KQMKFPVQWVKMTQ-IBGZPJMESA-N 2 1 304.478 2.787 20 0 DFADMP CC(C)OC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000567891803 302396816 /nfs/dbraw/zinc/39/68/16/302396816.db2.gz UHKADNULDIOHPX-LPHOPBHVSA-N 2 1 320.477 2.588 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)C[NH+]2CC(C)(C)C2)CC1 ZINC000568649859 302467470 /nfs/dbraw/zinc/46/74/70/302467470.db2.gz JUEWHLPCKNDZBU-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])Nc1cc[nH+]c2ccc(Br)cc12 ZINC000573684599 302717605 /nfs/dbraw/zinc/71/76/05/302717605.db2.gz MBUFCRGQWIUPAF-VHSXEESVSA-N 2 1 308.223 2.957 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000574096714 302739975 /nfs/dbraw/zinc/73/99/75/302739975.db2.gz GMFRFKRPTISRNO-UHFFFAOYSA-N 2 1 302.397 2.709 20 0 DFADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262038464 303116929 /nfs/dbraw/zinc/11/69/29/303116929.db2.gz YGESVIRWWPPORW-XLWJZTARSA-N 2 1 320.399 2.854 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000181450291 316059342 /nfs/dbraw/zinc/05/93/42/316059342.db2.gz LMYFUHGECCZDGI-DOTOQJQBSA-N 2 1 315.461 2.948 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000181450291 316059345 /nfs/dbraw/zinc/05/93/45/316059345.db2.gz LMYFUHGECCZDGI-DOTOQJQBSA-N 2 1 315.461 2.948 20 0 DFADMP CC(C)(C)[NH2+]CCNC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000182710249 316114641 /nfs/dbraw/zinc/11/46/41/316114641.db2.gz SRBNQEIDXMGYOP-KRWDZBQOSA-N 2 1 317.477 2.545 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000187351405 316208787 /nfs/dbraw/zinc/20/87/87/316208787.db2.gz WREQTUHKMZALIN-HOCLYGCPSA-N 2 1 308.441 2.944 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000309563049 316236616 /nfs/dbraw/zinc/23/66/16/316236616.db2.gz TWVQPOLSKWOSBW-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@@H+]1CCC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000309563049 316236621 /nfs/dbraw/zinc/23/66/21/316236621.db2.gz TWVQPOLSKWOSBW-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@H+]1CCC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000309563049 316236622 /nfs/dbraw/zinc/23/66/22/316236622.db2.gz TWVQPOLSKWOSBW-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309563049 316236625 /nfs/dbraw/zinc/23/66/25/316236625.db2.gz TWVQPOLSKWOSBW-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309563049 316236628 /nfs/dbraw/zinc/23/66/28/316236628.db2.gz TWVQPOLSKWOSBW-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+])O[C@H](C)C2 ZINC000316972037 316247141 /nfs/dbraw/zinc/24/71/41/316247141.db2.gz IGIYWLJCLKVGGL-CZUORRHYSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC[NH3+])O[C@H](C)C2 ZINC000316972037 316247146 /nfs/dbraw/zinc/24/71/46/316247146.db2.gz IGIYWLJCLKVGGL-CZUORRHYSA-N 2 1 304.434 2.722 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC(F)F ZINC000317289645 316247900 /nfs/dbraw/zinc/24/79/00/316247900.db2.gz SAQRRQZEKCTACD-YPMHNXCESA-N 2 1 314.376 2.998 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC(F)F ZINC000317289645 316247905 /nfs/dbraw/zinc/24/79/05/316247905.db2.gz SAQRRQZEKCTACD-YPMHNXCESA-N 2 1 314.376 2.998 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000321410365 316256953 /nfs/dbraw/zinc/25/69/53/316256953.db2.gz UDPOUMQYBAWEAW-FUHWJXTLSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000337610664 316302042 /nfs/dbraw/zinc/30/20/42/316302042.db2.gz YFLKVYJXVLNBTK-BPUTZDHNSA-N 2 1 302.418 2.735 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2OC)N(C)C)[C@@H](C)C1 ZINC000345248265 316316702 /nfs/dbraw/zinc/31/67/02/316316702.db2.gz KDYHZYBPYHDWBQ-RYQLBKOJSA-N 2 1 319.493 2.618 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000360019948 316573532 /nfs/dbraw/zinc/57/35/32/316573532.db2.gz SMXGCJAZNOLNKX-KGLIPLIRSA-N 2 1 315.417 2.874 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414740386 316645183 /nfs/dbraw/zinc/64/51/83/316645183.db2.gz LFMUYOJJFXMZQU-HOTGVXAUSA-N 3 1 303.450 2.621 20 0 DFADMP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000449673905 317051937 /nfs/dbraw/zinc/05/19/37/317051937.db2.gz QXQIRGJTWBNGGL-AWEZNQCLSA-N 2 1 321.424 2.675 20 0 DFADMP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000449673905 317051939 /nfs/dbraw/zinc/05/19/39/317051939.db2.gz QXQIRGJTWBNGGL-AWEZNQCLSA-N 2 1 321.424 2.675 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450263331 317077661 /nfs/dbraw/zinc/07/76/61/317077661.db2.gz BKXYIIGERNSTGB-APWZRJJASA-N 2 1 302.462 2.711 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450376141 317087611 /nfs/dbraw/zinc/08/76/11/317087611.db2.gz ZTGPEJOMBZMOGC-XBMZPMPPSA-N 2 1 302.462 2.867 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453104351 317162806 /nfs/dbraw/zinc/16/28/06/317162806.db2.gz ZHQIZBORIDMNON-VAMGGRTRSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)cn1 ZINC000453104351 317162810 /nfs/dbraw/zinc/16/28/10/317162810.db2.gz ZHQIZBORIDMNON-VAMGGRTRSA-N 2 1 324.472 2.953 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H](C2CC2)C2CCC2)C1 ZINC000453200012 317168217 /nfs/dbraw/zinc/16/82/17/317168217.db2.gz UDHFERSWYVFDIH-WOJBJXKFSA-N 2 1 314.473 2.922 20 0 DFADMP CCn1ncnc1C[NH+]1CCC(CC[N@H+](CC)CC(C)C)CC1 ZINC000488165825 317371927 /nfs/dbraw/zinc/37/19/27/317371927.db2.gz IIEOTPRCYSWEJE-UHFFFAOYSA-N 2 1 321.513 2.878 20 0 DFADMP CCn1ncnc1C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000488165825 317371930 /nfs/dbraw/zinc/37/19/30/317371930.db2.gz IIEOTPRCYSWEJE-UHFFFAOYSA-N 2 1 321.513 2.878 20 0 DFADMP COCCSCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000488278033 317380309 /nfs/dbraw/zinc/38/03/09/317380309.db2.gz IFHHJTYYPIMKAN-HZPDHXFCSA-N 2 1 314.539 2.999 20 0 DFADMP C[C@H]1C[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000488357987 317386759 /nfs/dbraw/zinc/38/67/59/317386759.db2.gz QTABLNZPZQVYAP-WMZOPIPTSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@H]1C[C@H]1C[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488357987 317386763 /nfs/dbraw/zinc/38/67/63/317386763.db2.gz QTABLNZPZQVYAP-WMZOPIPTSA-N 3 1 307.526 2.771 20 0 DFADMP C[C@H]1C[C@H]1C[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000488357987 317386767 /nfs/dbraw/zinc/38/67/67/317386767.db2.gz QTABLNZPZQVYAP-WMZOPIPTSA-N 3 1 307.526 2.771 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)C)C2)CC1 ZINC000488418668 317391647 /nfs/dbraw/zinc/39/16/47/317391647.db2.gz NSWSTILMHJBQLR-IRXDYDNUSA-N 2 1 314.539 2.996 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488430223 317392409 /nfs/dbraw/zinc/39/24/09/317392409.db2.gz JXEVPBLZTNBIIV-IAGOWNOFSA-N 2 1 313.555 2.524 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000488469976 317396260 /nfs/dbraw/zinc/39/62/60/317396260.db2.gz ZQRARQROZPUTGZ-HZPDHXFCSA-N 2 1 312.523 2.751 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530224743 317777152 /nfs/dbraw/zinc/77/71/52/317777152.db2.gz XUVLVLXHPNFGFE-OQPBUACISA-N 2 1 319.193 2.944 20 0 DFADMP CC[C@@H](C)NC(=O)c1cccc(CNCc2cnc(C)n2C)c1 ZINC000572857189 318006225 /nfs/dbraw/zinc/00/62/25/318006225.db2.gz PSUJGDODHIEWLP-CYBMUJFWSA-N 2 1 314.433 2.547 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000573327795 318016607 /nfs/dbraw/zinc/01/66/07/318016607.db2.gz VLXWUERLHFAHQG-JKSUJKDBSA-N 2 1 309.498 2.617 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000574512340 318022845 /nfs/dbraw/zinc/02/28/45/318022845.db2.gz LMADPDSPJXGEFZ-OALUTQOASA-N 2 1 304.478 2.548 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000574512339 318022852 /nfs/dbraw/zinc/02/28/52/318022852.db2.gz LMADPDSPJXGEFZ-MOPGFXCFSA-N 2 1 304.478 2.548 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc(OC)c1OC ZINC000574563070 318024636 /nfs/dbraw/zinc/02/46/36/318024636.db2.gz NZKVTQNQSSOEGC-CYBMUJFWSA-N 2 1 310.438 2.751 20 0 DFADMP C[N@@H+](C[C@@H](O)CN[C@@H]1CCCc2sc(Cl)cc21)C1CC1 ZINC000574911770 318050339 /nfs/dbraw/zinc/05/03/39/318050339.db2.gz DKWHAWHREAWOQM-WCQYABFASA-N 2 1 314.882 2.824 20 0 DFADMP CN(C[C@@H](O)C[NH2+][C@@H]1CCCc2sc(Cl)cc21)C1CC1 ZINC000574911770 318050341 /nfs/dbraw/zinc/05/03/41/318050341.db2.gz DKWHAWHREAWOQM-WCQYABFASA-N 2 1 314.882 2.824 20 0 DFADMP C[C@@H]([NH3+])c1ccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000575121837 318064994 /nfs/dbraw/zinc/06/49/94/318064994.db2.gz JFEHKLCIMHTQPQ-RHSMWYFYSA-N 2 1 303.450 2.587 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000575134655 318066005 /nfs/dbraw/zinc/06/60/05/318066005.db2.gz FEBFBQQNEAIWGY-CQSZACIVSA-N 2 1 304.425 2.637 20 0 DFADMP C[NH+](CCC(=O)NCCCC[N@H+](C)C1CC1)C1CCCCC1 ZINC000575843727 318086740 /nfs/dbraw/zinc/08/67/40/318086740.db2.gz FBOTWUAKUFFYMY-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCCCNC(=O)CC[N@H+](C)C1CCCCC1)C1CC1 ZINC000575843727 318086742 /nfs/dbraw/zinc/08/67/42/318086742.db2.gz FBOTWUAKUFFYMY-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCCCNC(=O)CC[N@@H+](C)C1CCCCC1)C1CC1 ZINC000575843727 318086743 /nfs/dbraw/zinc/08/67/43/318086743.db2.gz FBOTWUAKUFFYMY-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000576029083 318099250 /nfs/dbraw/zinc/09/92/50/318099250.db2.gz QKTQKISCAFZFHB-CYBMUJFWSA-N 2 1 318.396 2.585 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000576029084 318099296 /nfs/dbraw/zinc/09/92/96/318099296.db2.gz QKTQKISCAFZFHB-ZDUSSCGKSA-N 2 1 318.396 2.585 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000576581152 318135775 /nfs/dbraw/zinc/13/57/75/318135775.db2.gz QFNCYEUIAMEFEC-GOSISDBHSA-N 2 1 317.477 2.574 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)C1C[NH2+]C1 ZINC000576814694 318151802 /nfs/dbraw/zinc/15/18/02/318151802.db2.gz NVACAVASSDAYQO-ZDUSSCGKSA-N 2 1 301.434 2.513 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000576875952 318156376 /nfs/dbraw/zinc/15/63/76/318156376.db2.gz NMBMTJCVKYWZAU-INIZCTEOSA-N 2 1 302.447 2.714 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000576875952 318156377 /nfs/dbraw/zinc/15/63/77/318156377.db2.gz NMBMTJCVKYWZAU-INIZCTEOSA-N 2 1 302.447 2.714 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000577232151 318180142 /nfs/dbraw/zinc/18/01/42/318180142.db2.gz XGWHVDKFJYOYIU-ROUUACIJSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1C[C@H](CCNC(=O)CCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000577511106 318198598 /nfs/dbraw/zinc/19/85/98/318198598.db2.gz ZRSUEZKRNNAVET-AEFFLSMTSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000577720293 318212388 /nfs/dbraw/zinc/21/23/88/318212388.db2.gz IILVYRXUWDAHSE-LPHOPBHVSA-N 2 1 301.478 2.760 20 0 DFADMP C([NH2+]C1CCC2(CCCO2)CC1)C1([NH+]2CCCC2)CCOCC1 ZINC000577809375 318217385 /nfs/dbraw/zinc/21/73/85/318217385.db2.gz HRXMNYAFNIPERT-UHFFFAOYSA-N 2 1 322.493 2.713 20 0 DFADMP COc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(F)c1 ZINC000577856169 318221970 /nfs/dbraw/zinc/22/19/70/318221970.db2.gz PMUYRTOEIDNUFD-GASCZTMLSA-N 2 1 324.440 2.813 20 0 DFADMP Cc1cccc([C@@H](C)[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000578074610 318235997 /nfs/dbraw/zinc/23/59/97/318235997.db2.gz ZVTBZCGPXADFER-MRXNPFEDSA-N 2 1 302.462 2.883 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000578232250 318246840 /nfs/dbraw/zinc/24/68/40/318246840.db2.gz MVSHZASUQCKIRB-MJGOQNOKSA-N 2 1 322.468 2.687 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263975 318248885 /nfs/dbraw/zinc/24/88/85/318248885.db2.gz CABNNNNKYBSXJS-XJKSGUPXSA-N 2 1 304.463 2.706 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263975 318248888 /nfs/dbraw/zinc/24/88/88/318248888.db2.gz CABNNNNKYBSXJS-XJKSGUPXSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263975 318248890 /nfs/dbraw/zinc/24/88/90/318248890.db2.gz CABNNNNKYBSXJS-XJKSGUPXSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263975 318248892 /nfs/dbraw/zinc/24/88/92/318248892.db2.gz CABNNNNKYBSXJS-XJKSGUPXSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263975 318248895 /nfs/dbraw/zinc/24/88/95/318248895.db2.gz CABNNNNKYBSXJS-XJKSGUPXSA-N 3 1 304.463 2.706 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503122 318265223 /nfs/dbraw/zinc/26/52/23/318265223.db2.gz IMVGCZJIXGFYJH-OALUTQOASA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503122 318265225 /nfs/dbraw/zinc/26/52/25/318265225.db2.gz IMVGCZJIXGFYJH-OALUTQOASA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503122 318265228 /nfs/dbraw/zinc/26/52/28/318265228.db2.gz IMVGCZJIXGFYJH-OALUTQOASA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503122 318265229 /nfs/dbraw/zinc/26/52/29/318265229.db2.gz IMVGCZJIXGFYJH-OALUTQOASA-N 2 1 320.452 2.678 20 0 DFADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3(C)CC3)CC2)CC1 ZINC000578945486 318296112 /nfs/dbraw/zinc/29/61/12/318296112.db2.gz WEWOWNBFQVCULU-UHFFFAOYSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1(C)CC1 ZINC000578945486 318296115 /nfs/dbraw/zinc/29/61/15/318296115.db2.gz WEWOWNBFQVCULU-UHFFFAOYSA-N 3 1 307.526 2.915 20 0 DFADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1(C)CC1 ZINC000578945486 318296118 /nfs/dbraw/zinc/29/61/18/318296118.db2.gz WEWOWNBFQVCULU-UHFFFAOYSA-N 3 1 307.526 2.915 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000579444957 318330631 /nfs/dbraw/zinc/33/06/31/318330631.db2.gz KEAHFTFIOPPHBH-INIZCTEOSA-N 2 1 310.445 2.998 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)C1 ZINC000579444957 318330634 /nfs/dbraw/zinc/33/06/34/318330634.db2.gz KEAHFTFIOPPHBH-INIZCTEOSA-N 2 1 310.445 2.998 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CC[NH+](C)C3CC3)c2)C1 ZINC000579611481 318342870 /nfs/dbraw/zinc/34/28/70/318342870.db2.gz UGBDZZQRDGFAGY-HNNXBMFYSA-N 2 1 315.461 2.604 20 0 DFADMP CO[C@@H]1COC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000579957934 318365993 /nfs/dbraw/zinc/36/59/93/318365993.db2.gz YQQPAGHXTJUNTJ-HZPDHXFCSA-N 2 1 312.498 2.669 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379634083 323290161 /nfs/dbraw/zinc/29/01/61/323290161.db2.gz PILJVLLAVHGBLR-GWFLUQINSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000379634083 323290163 /nfs/dbraw/zinc/29/01/63/323290163.db2.gz PILJVLLAVHGBLR-GWFLUQINSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379654581 323290606 /nfs/dbraw/zinc/29/06/06/323290606.db2.gz JAXWBAPARBHONV-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000379654581 323290611 /nfs/dbraw/zinc/29/06/11/323290611.db2.gz JAXWBAPARBHONV-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379654581 323290616 /nfs/dbraw/zinc/29/06/16/323290616.db2.gz JAXWBAPARBHONV-NZSAHSFTSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379654581 323290622 /nfs/dbraw/zinc/29/06/22/323290622.db2.gz JAXWBAPARBHONV-NZSAHSFTSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379659136 323290864 /nfs/dbraw/zinc/29/08/64/323290864.db2.gz YTLXWASCLIADFM-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379659136 323290867 /nfs/dbraw/zinc/29/08/67/323290867.db2.gz YTLXWASCLIADFM-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C[N@H+]1Cc1ccccc1 ZINC000380937453 323292845 /nfs/dbraw/zinc/29/28/45/323292845.db2.gz KOKBRWAMZHNHBN-ZAWLATJESA-N 2 1 301.478 2.566 20 0 DFADMP C[C@@H]1C[C@H](NCCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000382548093 323300694 /nfs/dbraw/zinc/30/06/94/323300694.db2.gz QMYRYCAJSFLADX-VQIMIIECSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000382840930 323302281 /nfs/dbraw/zinc/30/22/81/323302281.db2.gz UNCCBWVUBLPJNY-PWSUYJOCSA-N 2 1 317.296 2.983 20 0 DFADMP CCC[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000383550383 323304573 /nfs/dbraw/zinc/30/45/73/323304573.db2.gz GZRKIOUPBQVDIE-PMACEKPBSA-N 2 1 312.457 2.830 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000384057696 323305382 /nfs/dbraw/zinc/30/53/82/323305382.db2.gz ZFICPRCJNGMAKC-NZSAHSFTSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CNC2CC[NH+](C)CC2)CCC1 ZINC000386794732 323319571 /nfs/dbraw/zinc/31/95/71/323319571.db2.gz ARQBXSLALGMXGB-UHFFFAOYSA-N 2 1 301.478 2.725 20 0 DFADMP C[N@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870332 323321288 /nfs/dbraw/zinc/32/12/88/323321288.db2.gz KSICQLZDDBXMDB-IPMKNSEASA-N 2 1 301.478 2.629 20 0 DFADMP C[N@@H+](CCN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870332 323321291 /nfs/dbraw/zinc/32/12/91/323321291.db2.gz KSICQLZDDBXMDB-IPMKNSEASA-N 2 1 301.478 2.629 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000387574359 323326548 /nfs/dbraw/zinc/32/65/48/323326548.db2.gz OMBWQSTXVNXCNS-QAPCUYQASA-N 2 1 302.462 2.872 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000389849842 323338460 /nfs/dbraw/zinc/33/84/60/323338460.db2.gz UKWYNRNXZZTZJM-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389849842 323338463 /nfs/dbraw/zinc/33/84/63/323338463.db2.gz UKWYNRNXZZTZJM-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389849842 323338468 /nfs/dbraw/zinc/33/84/68/323338468.db2.gz UKWYNRNXZZTZJM-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389849842 323338470 /nfs/dbraw/zinc/33/84/70/323338470.db2.gz UKWYNRNXZZTZJM-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389849842 323338473 /nfs/dbraw/zinc/33/84/73/323338473.db2.gz UKWYNRNXZZTZJM-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2cc(OC)c(OC)c(OC)c2)CC1 ZINC000393433185 323349199 /nfs/dbraw/zinc/34/91/99/323349199.db2.gz VDTMJVDUMRVDCY-CYBMUJFWSA-N 2 1 322.449 2.847 20 0 DFADMP Cc1cccc(-c2noc(C[NH+]3CCC(CC[NH3+])CC3)n2)c1 ZINC000580319209 323370140 /nfs/dbraw/zinc/37/01/40/323370140.db2.gz AMQIMGLZSKOVHV-UHFFFAOYSA-N 2 1 300.406 2.606 20 0 DFADMP Cn1ccnc1[C@H]([NH2+][C@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000584524243 337355339 /nfs/dbraw/zinc/35/53/39/337355339.db2.gz ZIWQZTRRLHIIGR-DVOMOZLQSA-N 2 1 318.852 2.880 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000584670677 337381324 /nfs/dbraw/zinc/38/13/24/337381324.db2.gz LIYMHYHFTBBYOX-KURKYZTESA-N 2 1 315.461 2.998 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000584670679 337381382 /nfs/dbraw/zinc/38/13/82/337381382.db2.gz LIYMHYHFTBBYOX-RCCFBDPRSA-N 2 1 315.461 2.998 20 0 DFADMP CCc1ccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660623490 500746981 /nfs/dbraw/zinc/74/69/81/500746981.db2.gz NSLWETRGKQWHCG-MOPGFXCFSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660623490 500746985 /nfs/dbraw/zinc/74/69/85/500746985.db2.gz NSLWETRGKQWHCG-MOPGFXCFSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660623490 500746988 /nfs/dbraw/zinc/74/69/88/500746988.db2.gz NSLWETRGKQWHCG-MOPGFXCFSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660623490 500746990 /nfs/dbraw/zinc/74/69/90/500746990.db2.gz NSLWETRGKQWHCG-MOPGFXCFSA-N 2 1 304.478 2.739 20 0 DFADMP Cc1cccc(CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)c1 ZINC000449131236 500981983 /nfs/dbraw/zinc/98/19/83/500981983.db2.gz LATIKRLAZIHKMV-UHFFFAOYSA-N 2 1 302.462 2.772 20 0 DFADMP C[C@]1(C[NH2+]CC2CCOCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000309835641 534176039 /nfs/dbraw/zinc/17/60/39/534176039.db2.gz UMAWLFUHRDTKIS-LJQANCHMSA-N 2 1 302.462 2.915 20 0 DFADMP OCC1CCC([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000324065940 534352643 /nfs/dbraw/zinc/35/26/43/534352643.db2.gz XCHBIMMPHRDNNH-UHFFFAOYSA-N 2 1 316.489 2.834 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000365154884 519633501 /nfs/dbraw/zinc/63/35/01/519633501.db2.gz IDCNSYRJPPGWSA-DLBZAZTESA-N 2 1 302.466 2.643 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000365154884 519633504 /nfs/dbraw/zinc/63/35/04/519633504.db2.gz IDCNSYRJPPGWSA-DLBZAZTESA-N 2 1 302.466 2.643 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000323234417 534486338 /nfs/dbraw/zinc/48/63/38/534486338.db2.gz CPJRMQHEWSMTAM-PMACEKPBSA-N 2 1 314.473 2.851 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154523490 521644014 /nfs/dbraw/zinc/64/40/14/521644014.db2.gz DXIQMVGUBCOIRZ-ROUUACIJSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@@H]21 ZINC000366328259 521644269 /nfs/dbraw/zinc/64/42/69/521644269.db2.gz ULTHHEQIRMGRAS-ROUUACIJSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[N@H+](Cc1cncc(Br)c1)C1CC[NH2+]CC1 ZINC000157345310 521692085 /nfs/dbraw/zinc/69/20/85/521692085.db2.gz GSZVHXNLGQLXRE-UHFFFAOYSA-N 2 1 312.255 2.808 20 0 DFADMP CCC[N@@H+](Cc1cncc(Br)c1)C1CC[NH2+]CC1 ZINC000157345310 521692087 /nfs/dbraw/zinc/69/20/87/521692087.db2.gz GSZVHXNLGQLXRE-UHFFFAOYSA-N 2 1 312.255 2.808 20 0 DFADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(OC)cc1 ZINC000128367571 522583258 /nfs/dbraw/zinc/58/32/58/522583258.db2.gz GQUQHCCBQWIRSL-IBGZPJMESA-N 2 1 319.493 2.764 20 0 DFADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000366020774 523193395 /nfs/dbraw/zinc/19/33/95/523193395.db2.gz DVSBJNDFFNSZBR-CYBMUJFWSA-N 2 1 311.389 2.561 20 0 DFADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000366020774 523193402 /nfs/dbraw/zinc/19/34/02/523193402.db2.gz DVSBJNDFFNSZBR-CYBMUJFWSA-N 2 1 311.389 2.561 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000367602235 523977267 /nfs/dbraw/zinc/97/72/67/523977267.db2.gz SABDORVLASNCEE-DJIMGWMZSA-N 2 1 306.425 2.839 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367619524 524045309 /nfs/dbraw/zinc/04/53/09/524045309.db2.gz WTNZSARETGGDEN-OTWHNJEPSA-N 2 1 318.461 2.674 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000248871853 524830346 /nfs/dbraw/zinc/83/03/46/524830346.db2.gz OWICAWGOLMGCQE-CVEARBPZSA-N 2 1 317.477 2.662 20 0 DFADMP CC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000361434502 534840462 /nfs/dbraw/zinc/84/04/62/534840462.db2.gz DWOPJCUGKHLUNT-DAWZGUTISA-N 2 1 309.498 2.534 20 0 DFADMP CC(=O)NC1CCC([NH2+]C[C@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000361434502 534840466 /nfs/dbraw/zinc/84/04/66/534840466.db2.gz DWOPJCUGKHLUNT-DAWZGUTISA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)(C)NC(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309672262 526299915 /nfs/dbraw/zinc/29/99/15/526299915.db2.gz UDMWKUIVHXAITJ-GOSISDBHSA-N 2 1 302.466 2.811 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000249158110 526471106 /nfs/dbraw/zinc/47/11/06/526471106.db2.gz XSQFSWRZQWDWOY-HSALFYBXSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000249158110 526471113 /nfs/dbraw/zinc/47/11/13/526471113.db2.gz XSQFSWRZQWDWOY-HSALFYBXSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000249158110 526471118 /nfs/dbraw/zinc/47/11/18/526471118.db2.gz XSQFSWRZQWDWOY-HSALFYBXSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000249158110 526471123 /nfs/dbraw/zinc/47/11/23/526471123.db2.gz XSQFSWRZQWDWOY-HSALFYBXSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000249158110 526471126 /nfs/dbraw/zinc/47/11/26/526471126.db2.gz XSQFSWRZQWDWOY-HSALFYBXSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000249158110 526471128 /nfs/dbraw/zinc/47/11/28/526471128.db2.gz XSQFSWRZQWDWOY-HSALFYBXSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000249158110 526471131 /nfs/dbraw/zinc/47/11/31/526471131.db2.gz XSQFSWRZQWDWOY-HSALFYBXSA-N 3 1 313.489 2.725 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CCC[N@H+]([C@H](C)CO)CC2)c1C ZINC000364987105 527159433 /nfs/dbraw/zinc/15/94/33/527159433.db2.gz UJZSEEMPWMJIQR-CQSZACIVSA-N 2 1 313.445 2.745 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000294928822 527849347 /nfs/dbraw/zinc/84/93/47/527849347.db2.gz IWQPTZHKSWXCIZ-RTBURBONSA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000294928822 527849352 /nfs/dbraw/zinc/84/93/52/527849352.db2.gz IWQPTZHKSWXCIZ-RTBURBONSA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000294928822 527849357 /nfs/dbraw/zinc/84/93/57/527849357.db2.gz IWQPTZHKSWXCIZ-RTBURBONSA-N 2 1 304.478 2.908 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000332342568 528318468 /nfs/dbraw/zinc/31/84/68/528318468.db2.gz REKCOUXXETWRRN-ILXRZTDVSA-N 2 1 306.454 2.761 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309886327 528463392 /nfs/dbraw/zinc/46/33/92/528463392.db2.gz LGPLEXWDAXCVNF-HKUYNNGSSA-N 2 1 317.477 2.532 20 0 DFADMP CC[NH+]1CCC(NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309743478 528986549 /nfs/dbraw/zinc/98/65/49/528986549.db2.gz SROGRJACRRXBFL-GOSISDBHSA-N 2 1 301.478 2.582 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000361033286 534949333 /nfs/dbraw/zinc/94/93/33/534949333.db2.gz JGTQGFPNZASQIL-BBRMVZONSA-N 2 1 319.424 2.921 20 0 DFADMP CC(C)(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000245988531 535007428 /nfs/dbraw/zinc/00/74/28/535007428.db2.gz QJEDKQOOPKVQNP-HOTGVXAUSA-N 2 1 303.450 2.975 20 0 DFADMP CC(C)(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000245988531 535007432 /nfs/dbraw/zinc/00/74/32/535007432.db2.gz QJEDKQOOPKVQNP-HOTGVXAUSA-N 2 1 303.450 2.975 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000174753740 535149959 /nfs/dbraw/zinc/14/99/59/535149959.db2.gz DCEYZRXCPIUUSW-IXDOHACOSA-N 2 1 323.525 2.589 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261895593 535152580 /nfs/dbraw/zinc/15/25/80/535152580.db2.gz HAYASGWQWCNVLH-KSZLIROESA-N 2 1 320.452 2.850 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N(C)C(C)C)CC1 ZINC000175110464 535216639 /nfs/dbraw/zinc/21/66/39/535216639.db2.gz LBIIVVSHEBGOHO-MRXNPFEDSA-N 2 1 311.514 2.686 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361581699 535324702 /nfs/dbraw/zinc/32/47/02/535324702.db2.gz KBEUQWQTRNXSKH-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000354797421 535494302 /nfs/dbraw/zinc/49/43/02/535494302.db2.gz RYRYUFVBQRQOJP-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000361011503 535525219 /nfs/dbraw/zinc/52/52/19/535525219.db2.gz DTNZEOHJVUVRHC-KRWDZBQOSA-N 2 1 302.462 2.876 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000262712795 535528739 /nfs/dbraw/zinc/52/87/39/535528739.db2.gz RYQYUUNBUGZVSS-PKOBYXMFSA-N 2 1 317.477 2.675 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1)CC(F)(F)F ZINC000245686989 535770371 /nfs/dbraw/zinc/77/03/71/535770371.db2.gz PTNXZBYJELGRMM-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000245686989 535770376 /nfs/dbraw/zinc/77/03/76/535770376.db2.gz PTNXZBYJELGRMM-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1)CC(F)(F)F ZINC000245686989 535770381 /nfs/dbraw/zinc/77/03/81/535770381.db2.gz PTNXZBYJELGRMM-LSDHHAIUSA-N 2 1 321.431 2.677 20 0 DFADMP CN(CC[N@@H+](C)CCCCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000354698432 536340833 /nfs/dbraw/zinc/34/08/33/536340833.db2.gz BVZISMQCWLEMBO-UHFFFAOYSA-N 2 1 313.530 2.540 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596584 536390474 /nfs/dbraw/zinc/39/04/74/536390474.db2.gz UCLPKOITFKYKCG-PMACEKPBSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596584 536390477 /nfs/dbraw/zinc/39/04/77/536390477.db2.gz UCLPKOITFKYKCG-PMACEKPBSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](CO)(Cc2ccccc2)C1 ZINC000361596584 536390480 /nfs/dbraw/zinc/39/04/80/536390480.db2.gz UCLPKOITFKYKCG-PMACEKPBSA-N 2 1 316.489 2.788 20 0 DFADMP C[N@@H+](CCOCC1CC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000354879656 536393742 /nfs/dbraw/zinc/39/37/42/536393742.db2.gz KQTUFJXTACEWAO-UHFFFAOYSA-N 2 1 303.450 2.656 20 0 DFADMP COC1(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCCC1 ZINC000361607273 536629587 /nfs/dbraw/zinc/62/95/87/536629587.db2.gz BXJTUMDHMMKXED-SFHVURJKSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCCC1 ZINC000361607273 536629593 /nfs/dbraw/zinc/62/95/93/536629593.db2.gz BXJTUMDHMMKXED-SFHVURJKSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCCC1 ZINC000361607273 536629600 /nfs/dbraw/zinc/62/96/00/536629600.db2.gz BXJTUMDHMMKXED-SFHVURJKSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCCC1 ZINC000361607273 536629606 /nfs/dbraw/zinc/62/96/06/536629606.db2.gz BXJTUMDHMMKXED-SFHVURJKSA-N 2 1 317.477 2.795 20 0 DFADMP COc1ccc(C(=O)C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000262017430 536663374 /nfs/dbraw/zinc/66/33/74/536663374.db2.gz VVOHVODZUMLDSI-OAHLLOKOSA-N 2 1 316.445 2.590 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c(OC)c1 ZINC000262368629 536897799 /nfs/dbraw/zinc/89/77/99/536897799.db2.gz XGUWLVGKWRPIRK-GVDBMIGSSA-N 2 1 304.434 2.714 20 0 DFADMP CC1(C)[C@H]([NH2+]C2CC[NH+](CCO)CC2)C[C@H]1c1ccccc1 ZINC000680970014 545572720 /nfs/dbraw/zinc/57/27/20/545572720.db2.gz QOJMFEORXUUCBA-ZWKOTPCHSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000681089984 545594828 /nfs/dbraw/zinc/59/48/28/545594828.db2.gz JBEBIHZYTYJUKI-PKOBYXMFSA-N 2 1 312.461 2.773 20 0 DFADMP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914386 545750115 /nfs/dbraw/zinc/75/01/15/545750115.db2.gz CKRNPXWTPFMPHB-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914386 545750123 /nfs/dbraw/zinc/75/01/23/545750123.db2.gz CKRNPXWTPFMPHB-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@@H+](Cc1nc2c(s1)CCC2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914556 545750835 /nfs/dbraw/zinc/75/08/35/545750835.db2.gz IAWIFVJGGOUCGH-LBPRGKRZSA-N 2 1 302.447 2.523 20 0 DFADMP C[N@H+](Cc1nc2c(s1)CCC2)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914556 545750840 /nfs/dbraw/zinc/75/08/40/545750840.db2.gz IAWIFVJGGOUCGH-LBPRGKRZSA-N 2 1 302.447 2.523 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([N@H+](C)CCO)CC2)cc1C ZINC000682069005 545786232 /nfs/dbraw/zinc/78/62/32/545786232.db2.gz BSFCRZYAGWFRPH-MRXNPFEDSA-N 2 1 320.477 2.762 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH+]2CCC([N@@H+](C)CCO)CC2)cc1C ZINC000682069005 545786236 /nfs/dbraw/zinc/78/62/36/545786236.db2.gz BSFCRZYAGWFRPH-MRXNPFEDSA-N 2 1 320.477 2.762 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCCS2)cc1 ZINC000682671599 545893875 /nfs/dbraw/zinc/89/38/75/545893875.db2.gz ZXIIFLHDQQAYPK-SOABOVLPSA-N 2 1 302.487 2.992 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCCS2)cc1 ZINC000682671599 545893878 /nfs/dbraw/zinc/89/38/78/545893878.db2.gz ZXIIFLHDQQAYPK-SOABOVLPSA-N 2 1 302.487 2.992 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](O)C(F)(F)F)CC1 ZINC000682913734 545940385 /nfs/dbraw/zinc/94/03/85/545940385.db2.gz FHMWTEFKVNHTCP-MRVWCRGKSA-N 2 1 308.388 2.542 20 0 DFADMP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000683522191 546051113 /nfs/dbraw/zinc/05/11/13/546051113.db2.gz HTEIAYSHOAMSDF-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000683522191 546051118 /nfs/dbraw/zinc/05/11/18/546051118.db2.gz HTEIAYSHOAMSDF-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP C[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000683693031 546076773 /nfs/dbraw/zinc/07/67/73/546076773.db2.gz ZNQXFHSFUUJSIR-NRSFXHEJSA-N 2 1 302.462 2.931 20 0 DFADMP CC(C)[C@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)c2ccccc21 ZINC000683693310 546077145 /nfs/dbraw/zinc/07/71/45/546077145.db2.gz VKRYRYAIKWAHBS-MOPGFXCFSA-N 2 1 302.462 2.917 20 0 DFADMP CN(CC[N@@H+](C)[C@@H]1CCc2ccccc21)C1CC[NH+](C)CC1 ZINC000683783974 546094879 /nfs/dbraw/zinc/09/48/79/546094879.db2.gz AEEDJRAIVMVJJB-LJQANCHMSA-N 2 1 301.478 2.632 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683926538 546121503 /nfs/dbraw/zinc/12/15/03/546121503.db2.gz ABKGJLGLECYUCF-UHFFFAOYSA-N 2 1 314.477 2.531 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCSC(C)(C)CC1 ZINC000684002356 546135017 /nfs/dbraw/zinc/13/50/17/546135017.db2.gz FDDKJQHQSDDXCZ-KRWDZBQOSA-N 2 1 322.518 2.697 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCSC(C)(C)CC1 ZINC000684002356 546135020 /nfs/dbraw/zinc/13/50/20/546135020.db2.gz FDDKJQHQSDDXCZ-KRWDZBQOSA-N 2 1 322.518 2.697 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000684002356 546135023 /nfs/dbraw/zinc/13/50/23/546135023.db2.gz FDDKJQHQSDDXCZ-KRWDZBQOSA-N 2 1 322.518 2.697 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCSC(C)(C)CC1 ZINC000684002356 546135026 /nfs/dbraw/zinc/13/50/26/546135026.db2.gz FDDKJQHQSDDXCZ-KRWDZBQOSA-N 2 1 322.518 2.697 20 0 DFADMP CC[C@H](C[NH+]1CCCC1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000684162637 546161136 /nfs/dbraw/zinc/16/11/36/546161136.db2.gz AVNAUIWRXWQOPH-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000684390962 546207948 /nfs/dbraw/zinc/20/79/48/546207948.db2.gz MHICTTFBNCIURO-IRXDYDNUSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cn1 ZINC000684557401 546243601 /nfs/dbraw/zinc/24/36/01/546243601.db2.gz ZSUQCNQRCAVGPF-CMPLNLGQSA-N 2 1 321.222 2.706 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cscc2Cl)CC1(C)C ZINC000685042916 546323148 /nfs/dbraw/zinc/32/31/48/546323148.db2.gz OWESXNUILGVJTR-UHFFFAOYSA-N 2 1 301.887 2.517 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccccc1C1CC1 ZINC000685458397 546353358 /nfs/dbraw/zinc/35/33/58/546353358.db2.gz FFVNKQUYDDSOAQ-UHFFFAOYSA-N 2 1 301.478 2.633 20 0 DFADMP Cn1nc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000685463165 546354528 /nfs/dbraw/zinc/35/45/28/546354528.db2.gz VKNDCKOMCCERBT-INIZCTEOSA-N 2 1 312.461 2.737 20 0 DFADMP C[N@@H+](Cc1scnc1C1CC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685466423 546356177 /nfs/dbraw/zinc/35/61/77/546356177.db2.gz XCOILERQNVKREH-GFCCVEGCSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@H+](Cc1scnc1C1CC1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685466423 546356181 /nfs/dbraw/zinc/35/61/81/546356181.db2.gz XCOILERQNVKREH-GFCCVEGCSA-N 2 1 302.447 2.911 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000685888273 546405502 /nfs/dbraw/zinc/40/55/02/546405502.db2.gz OVSVPLYTRXKBRT-MRXNPFEDSA-N 2 1 311.514 2.735 20 0 DFADMP COCCSCCC[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000278541226 214223814 /nfs/dbraw/zinc/22/38/14/214223814.db2.gz SCJNBCSZXWPTMV-MRXNPFEDSA-N 2 1 323.506 2.894 20 0 DFADMP COCCSCCC[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000278541226 214223818 /nfs/dbraw/zinc/22/38/18/214223818.db2.gz SCJNBCSZXWPTMV-MRXNPFEDSA-N 2 1 323.506 2.894 20 0 DFADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1F ZINC000278575570 214249171 /nfs/dbraw/zinc/24/91/71/214249171.db2.gz XYFDAKLEINNCSN-MRXNPFEDSA-N 2 1 324.440 2.551 20 0 DFADMP FC(F)(F)c1cnc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000278612273 214273924 /nfs/dbraw/zinc/27/39/24/214273924.db2.gz IUOJSGNGEYOSKV-VIFPVBQESA-N 2 1 316.352 2.711 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000078956878 185135301 /nfs/dbraw/zinc/13/53/01/185135301.db2.gz MVJUXCPAHFLLTF-PBHICJAKSA-N 2 1 301.434 2.752 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000278701691 214337883 /nfs/dbraw/zinc/33/78/83/214337883.db2.gz LBKXTSCQJQLSHQ-GFCCVEGCSA-N 2 1 305.378 2.702 20 0 DFADMP C[C@H]([NH2+]CC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309714446 231101439 /nfs/dbraw/zinc/10/14/39/231101439.db2.gz LFOUIKSXTPJYFT-QFBILLFUSA-N 2 1 302.462 2.913 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309641970 231102391 /nfs/dbraw/zinc/10/23/91/231102391.db2.gz CHTLPFALSHDCAJ-PKOBYXMFSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000309857386 231108006 /nfs/dbraw/zinc/10/80/06/231108006.db2.gz LTOCTTDOJOJTSE-LFZDHENXSA-N 2 1 314.473 2.912 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000278736910 214365208 /nfs/dbraw/zinc/36/52/08/214365208.db2.gz MHMFVKQTJZMMNU-MSOLQXFVSA-N 2 1 320.502 2.620 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000278736910 214365209 /nfs/dbraw/zinc/36/52/09/214365209.db2.gz MHMFVKQTJZMMNU-MSOLQXFVSA-N 2 1 320.502 2.620 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000318886909 231176364 /nfs/dbraw/zinc/17/63/64/231176364.db2.gz NQZHETFOBZUBJT-CWRNSKLLSA-N 2 1 304.434 2.981 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000066125734 398358436 /nfs/dbraw/zinc/35/84/36/398358436.db2.gz JLBLJKOYIFCJCZ-INIZCTEOSA-N 2 1 319.493 2.989 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CCN(C3CC3)CC2)C1 ZINC000459371040 299089838 /nfs/dbraw/zinc/08/98/38/299089838.db2.gz HYERTQRQUVJQNO-CALCHBBNSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459371040 299089841 /nfs/dbraw/zinc/08/98/41/299089841.db2.gz HYERTQRQUVJQNO-CALCHBBNSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459371040 299089844 /nfs/dbraw/zinc/08/98/44/299089844.db2.gz HYERTQRQUVJQNO-CALCHBBNSA-N 3 1 307.526 2.961 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158547 398394421 /nfs/dbraw/zinc/39/44/21/398394421.db2.gz GKHGYWVPEWQPDQ-HNNXBMFYSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158547 398394425 /nfs/dbraw/zinc/39/44/25/398394425.db2.gz GKHGYWVPEWQPDQ-HNNXBMFYSA-N 2 1 310.482 2.915 20 0 DFADMP C[C@H]([NH2+]CCn1cc(Cl)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405869 299098488 /nfs/dbraw/zinc/09/84/88/299098488.db2.gz OCPSZYVRVWPDMY-KBPBESRZSA-N 2 1 310.873 2.779 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C2CC2)cc1 ZINC000459421789 299102495 /nfs/dbraw/zinc/10/24/95/299102495.db2.gz ZSXYCLRQPXLYRA-IBGZPJMESA-N 2 1 302.462 2.891 20 0 DFADMP C[N@@H+](CCCNC(=O)c1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000321969251 529891554 /nfs/dbraw/zinc/89/15/54/529891554.db2.gz HTCORYOXPKRLPZ-UHFFFAOYSA-N 2 1 315.461 2.674 20 0 DFADMP Clc1cccnc1N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459434145 299105619 /nfs/dbraw/zinc/10/56/19/299105619.db2.gz MTOCEZJBIBPKOK-AWEZNQCLSA-N 2 1 320.868 2.530 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[C@@H]1SC ZINC000459453754 299110917 /nfs/dbraw/zinc/11/09/17/299110917.db2.gz SZUNEJAOPDICQT-NXOAAHMSSA-N 2 1 314.539 2.853 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)C2)cc1 ZINC000586754194 398453370 /nfs/dbraw/zinc/45/33/70/398453370.db2.gz ZQESIMYTXILOAS-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000586754194 398453374 /nfs/dbraw/zinc/45/33/74/398453374.db2.gz ZQESIMYTXILOAS-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000586754194 398453377 /nfs/dbraw/zinc/45/33/77/398453377.db2.gz ZQESIMYTXILOAS-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000292951971 530052323 /nfs/dbraw/zinc/05/23/23/530052323.db2.gz AQPVHLQGIIIXHU-LJQANCHMSA-N 2 1 316.489 2.887 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048905 530060003 /nfs/dbraw/zinc/06/00/03/530060003.db2.gz SXTGSAQAGHDRKB-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048905 530060004 /nfs/dbraw/zinc/06/00/04/530060004.db2.gz SXTGSAQAGHDRKB-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048905 530060005 /nfs/dbraw/zinc/06/00/05/530060005.db2.gz SXTGSAQAGHDRKB-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[C@@H](NC1CC[NH+](C2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459466165 299113878 /nfs/dbraw/zinc/11/38/78/299113878.db2.gz OSCLWSOCZSIQLX-CVEARBPZSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459466165 299113881 /nfs/dbraw/zinc/11/38/81/299113881.db2.gz OSCLWSOCZSIQLX-CVEARBPZSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]([NH2+]C1CCN(C2CC2)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459466165 299113883 /nfs/dbraw/zinc/11/38/83/299113883.db2.gz OSCLWSOCZSIQLX-CVEARBPZSA-N 2 1 305.510 2.856 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000596655709 398472607 /nfs/dbraw/zinc/47/26/07/398472607.db2.gz XNJXEKBVJOYBJC-DONOWJBHSA-N 2 1 314.429 2.510 20 0 DFADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090060392 398476931 /nfs/dbraw/zinc/47/69/31/398476931.db2.gz AGINILBBJFPZSS-JKSUJKDBSA-N 2 1 304.434 2.681 20 0 DFADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[C@H]1O ZINC000364986970 282393302 /nfs/dbraw/zinc/39/33/02/282393302.db2.gz LLQYXADKPPCFLL-QZTJIDSGSA-N 2 1 303.450 2.533 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000221788695 535004632 /nfs/dbraw/zinc/00/46/32/535004632.db2.gz ASFGCKIAESRQOH-UHFFFAOYSA-N 2 1 312.841 2.931 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000221788695 535004637 /nfs/dbraw/zinc/00/46/37/535004637.db2.gz ASFGCKIAESRQOH-UHFFFAOYSA-N 2 1 312.841 2.931 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000090656901 398491041 /nfs/dbraw/zinc/49/10/41/398491041.db2.gz NGYHKMHYYKQSLX-NJAFHUGGSA-N 2 1 304.478 2.719 20 0 DFADMP COC[C@H]([NH2+]C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000090708537 398492044 /nfs/dbraw/zinc/49/20/44/398492044.db2.gz FKQPKQGGHFYYDU-WDYCEAGBSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000090920455 398497206 /nfs/dbraw/zinc/49/72/06/398497206.db2.gz IYGHZJJDJQHLMJ-INMHGKMJSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2F)C1 ZINC000090920455 398497210 /nfs/dbraw/zinc/49/72/10/398497210.db2.gz IYGHZJJDJQHLMJ-INMHGKMJSA-N 2 1 305.441 2.724 20 0 DFADMP OCCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000279612122 215004738 /nfs/dbraw/zinc/00/47/38/215004738.db2.gz QZGQBOJMUJVGIK-GUDVDZBRSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272690132 210094869 /nfs/dbraw/zinc/09/48/69/210094869.db2.gz VOWCSDBGUZZXBK-LMMKCTJWSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272690132 210094874 /nfs/dbraw/zinc/09/48/74/210094874.db2.gz VOWCSDBGUZZXBK-LMMKCTJWSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272690132 210094878 /nfs/dbraw/zinc/09/48/78/210094878.db2.gz VOWCSDBGUZZXBK-LMMKCTJWSA-N 3 1 303.494 2.827 20 0 DFADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459557746 299133042 /nfs/dbraw/zinc/13/30/42/299133042.db2.gz DNYZTYJMYMPMRJ-UHFFFAOYSA-N 3 1 302.466 2.514 20 0 DFADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459557746 299133044 /nfs/dbraw/zinc/13/30/44/299133044.db2.gz DNYZTYJMYMPMRJ-UHFFFAOYSA-N 3 1 302.466 2.514 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000272662362 210067582 /nfs/dbraw/zinc/06/75/82/210067582.db2.gz IGYKJEJUIXMDDT-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000272662362 210067583 /nfs/dbraw/zinc/06/75/83/210067583.db2.gz IGYKJEJUIXMDDT-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000272662362 210067586 /nfs/dbraw/zinc/06/75/86/210067586.db2.gz IGYKJEJUIXMDDT-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272653326 210060763 /nfs/dbraw/zinc/06/07/63/210060763.db2.gz KWRQUQXATOTYNT-ZHALLVOQSA-N 2 1 312.461 2.772 20 0 DFADMP OC[C@@H](CC1CCC1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000279680729 215058188 /nfs/dbraw/zinc/05/81/88/215058188.db2.gz JAKPLIOJBXWKCT-LJQANCHMSA-N 2 1 302.462 2.792 20 0 DFADMP CCOC(=O)CCCCC[N@@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000589262269 398542202 /nfs/dbraw/zinc/54/22/02/398542202.db2.gz VPLADWDMLBXVDZ-HNNXBMFYSA-N 2 1 307.438 2.501 20 0 DFADMP CCOC(=O)CCCCC[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000589262269 398542204 /nfs/dbraw/zinc/54/22/04/398542204.db2.gz VPLADWDMLBXVDZ-HNNXBMFYSA-N 2 1 307.438 2.501 20 0 DFADMP CCOC(=O)CCCCC[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000589262269 398542206 /nfs/dbraw/zinc/54/22/06/398542206.db2.gz VPLADWDMLBXVDZ-HNNXBMFYSA-N 2 1 307.438 2.501 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000320271774 398546594 /nfs/dbraw/zinc/54/65/94/398546594.db2.gz UFJZIWOKKGWGSI-NVXWUHKLSA-N 2 1 320.477 2.955 20 0 DFADMP CCC[N@H+]1CC[C@H](CNCc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597048179 398554736 /nfs/dbraw/zinc/55/47/36/398554736.db2.gz BLSWKRHEWJZAIL-CQSZACIVSA-N 2 1 324.852 2.948 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597048179 398554739 /nfs/dbraw/zinc/55/47/39/398554739.db2.gz BLSWKRHEWJZAIL-CQSZACIVSA-N 2 1 324.852 2.948 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597048179 398554741 /nfs/dbraw/zinc/55/47/41/398554741.db2.gz BLSWKRHEWJZAIL-CQSZACIVSA-N 2 1 324.852 2.948 20 0 DFADMP CCc1oc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1C(=O)OC ZINC000459648003 299155869 /nfs/dbraw/zinc/15/58/69/299155869.db2.gz BKMYRHNKRWTNNV-UHFFFAOYSA-N 2 1 313.357 2.566 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1F ZINC000597150528 398575887 /nfs/dbraw/zinc/57/58/87/398575887.db2.gz YUBNIHCCOMLTQE-UHFFFAOYSA-N 2 1 308.397 2.576 20 0 DFADMP Cc1ncc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)n1C ZINC000597154137 398576418 /nfs/dbraw/zinc/57/64/18/398576418.db2.gz OXNFPHXAXLQGTK-JSGCOSHPSA-N 2 1 307.438 2.671 20 0 DFADMP Cc1ncc(CN2C[C@@H](C(=O)OC(C)(C)C)CC[C@@H]2C)n1C ZINC000597154137 398576422 /nfs/dbraw/zinc/57/64/22/398576422.db2.gz OXNFPHXAXLQGTK-JSGCOSHPSA-N 2 1 307.438 2.671 20 0 DFADMP Cc1ncc(CN2C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597154908 398577838 /nfs/dbraw/zinc/57/78/38/398577838.db2.gz SMCBGQDSRGWLAJ-JSGCOSHPSA-N 2 1 307.438 2.528 20 0 DFADMP CC(C)[N@@H+](Cc1ccco1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000590126287 398598238 /nfs/dbraw/zinc/59/82/38/398598238.db2.gz BSFVFUNQOBBVMA-GOSISDBHSA-N 2 1 316.445 2.983 20 0 DFADMP CC(C)[N@H+](Cc1ccco1)C[C@H](O)CN(C)Cc1ccccc1 ZINC000590126287 398598241 /nfs/dbraw/zinc/59/82/41/398598241.db2.gz BSFVFUNQOBBVMA-GOSISDBHSA-N 2 1 316.445 2.983 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000597257422 398608916 /nfs/dbraw/zinc/60/89/16/398608916.db2.gz SGIFPRZRUURTKN-KRWDZBQOSA-N 2 1 316.445 2.685 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000597257424 398609291 /nfs/dbraw/zinc/60/92/91/398609291.db2.gz SGIFPRZRUURTKN-QGZVFWFLSA-N 2 1 316.445 2.685 20 0 DFADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccc(F)cc1 ZINC000150760008 186064686 /nfs/dbraw/zinc/06/46/86/186064686.db2.gz ACBUGAFWENGKRO-OAHLLOKOSA-N 2 1 319.424 2.572 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150758724 186064713 /nfs/dbraw/zinc/06/47/13/186064713.db2.gz MATGARCZOOQDGV-KRWDZBQOSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150758724 186064715 /nfs/dbraw/zinc/06/47/15/186064715.db2.gz MATGARCZOOQDGV-KRWDZBQOSA-N 2 1 301.434 2.563 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccncc2)[C@H](C)C1 ZINC000152496769 186079576 /nfs/dbraw/zinc/07/95/76/186079576.db2.gz LDSKFGRHVBWLDF-RYRKJORJSA-N 2 1 305.466 2.869 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)NC(C)C)cc1 ZINC000177867001 186195578 /nfs/dbraw/zinc/19/55/78/186195578.db2.gz AQZMIHJGCUZRAD-CQSZACIVSA-N 2 1 314.433 2.746 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCC2CC[NH2+]CC2)C1 ZINC000237508062 186298870 /nfs/dbraw/zinc/29/88/70/186298870.db2.gz YNUZTCVAXNVRDT-CALCHBBNSA-N 2 1 323.525 2.641 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000266860747 186362515 /nfs/dbraw/zinc/36/25/15/186362515.db2.gz JUGADCHSBKDVFE-RCBQFDQVSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000266860747 186362516 /nfs/dbraw/zinc/36/25/16/186362516.db2.gz JUGADCHSBKDVFE-RCBQFDQVSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000266860747 186362518 /nfs/dbraw/zinc/36/25/18/186362518.db2.gz JUGADCHSBKDVFE-RCBQFDQVSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000266860747 186362520 /nfs/dbraw/zinc/36/25/20/186362520.db2.gz JUGADCHSBKDVFE-RCBQFDQVSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000268754008 186379339 /nfs/dbraw/zinc/37/93/39/186379339.db2.gz YVZKTEUGQFDVQA-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268754008 186379341 /nfs/dbraw/zinc/37/93/41/186379341.db2.gz YVZKTEUGQFDVQA-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268754008 186379342 /nfs/dbraw/zinc/37/93/42/186379342.db2.gz YVZKTEUGQFDVQA-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459728607 299174756 /nfs/dbraw/zinc/17/47/56/299174756.db2.gz ILSPKPQEIYLBDA-HNNXBMFYSA-N 2 1 306.450 2.915 20 0 DFADMP Cc1noc(C[C@@H]([NH2+]CC[C@@H]2CCC[N@H+]2C)c2ccccc2)n1 ZINC000277248987 213395556 /nfs/dbraw/zinc/39/55/56/213395556.db2.gz QBNUZTDKRFAWGO-DLBZAZTESA-N 2 1 314.433 2.736 20 0 DFADMP Cc1noc(C[C@@H]([NH2+]CC[C@@H]2CCC[N@@H+]2C)c2ccccc2)n1 ZINC000277248987 213395558 /nfs/dbraw/zinc/39/55/58/213395558.db2.gz QBNUZTDKRFAWGO-DLBZAZTESA-N 2 1 314.433 2.736 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000459743866 299179548 /nfs/dbraw/zinc/17/95/48/299179548.db2.gz XCOXUYFBPAHDBV-VQTJNVASSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1cc(Br)ccc1OC(F)F ZINC000414858711 295827203 /nfs/dbraw/zinc/82/72/03/295827203.db2.gz KTQIZZNKAXDTCP-UHFFFAOYSA-N 2 1 323.181 2.750 20 0 DFADMP CCc1nn(C)c(Cl)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000172064852 198033843 /nfs/dbraw/zinc/03/38/43/198033843.db2.gz VLHALDZOFQBDCH-NSHDSACASA-N 2 1 309.845 2.567 20 0 DFADMP COCCOc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000459747020 299180416 /nfs/dbraw/zinc/18/04/16/299180416.db2.gz ZNMABMAWEPLFTO-KRWDZBQOSA-N 2 1 306.450 2.533 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414924396 295835828 /nfs/dbraw/zinc/83/58/28/295835828.db2.gz KCUFRFWZHFERED-VXGBXAGGSA-N 2 1 313.239 2.817 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000280113138 215385240 /nfs/dbraw/zinc/38/52/40/215385240.db2.gz NSOPOFVARHSZHO-WMZOPIPTSA-N 2 1 301.478 2.975 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414954653 295840300 /nfs/dbraw/zinc/84/03/00/295840300.db2.gz SUWQSRCDAQEKDO-KSSFIOAISA-N 2 1 311.429 2.987 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC(F)F ZINC000414962742 295841575 /nfs/dbraw/zinc/84/15/75/295841575.db2.gz ZWSSPGVFLGXZLV-ZYHUDNBSSA-N 2 1 300.349 2.527 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+]CCC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414974544 295843156 /nfs/dbraw/zinc/84/31/56/295843156.db2.gz NQYUKQIPKPSNEV-GOSISDBHSA-N 3 1 301.478 2.773 20 0 DFADMP CC(C)OC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072633377 191206533 /nfs/dbraw/zinc/20/65/33/191206533.db2.gz SBGSLZKMDDXLQQ-UHFFFAOYSA-N 2 1 318.461 2.925 20 0 DFADMP CC(C)OC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000072633377 191206537 /nfs/dbraw/zinc/20/65/37/191206537.db2.gz SBGSLZKMDDXLQQ-UHFFFAOYSA-N 2 1 318.461 2.925 20 0 DFADMP FC(F)Oc1ccccc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415005058 295846461 /nfs/dbraw/zinc/84/64/61/295846461.db2.gz OQDCORBBARMIAN-NSHDSACASA-N 2 1 306.303 2.622 20 0 DFADMP C[C@@H]1CCc2nc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)sc2C1 ZINC000415006646 295846736 /nfs/dbraw/zinc/84/67/36/295846736.db2.gz QKOLFPMIDUQSOE-MNOVXSKESA-N 2 1 315.433 2.602 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cncc(Br)c2)C1 ZINC000459785734 299192680 /nfs/dbraw/zinc/19/26/80/299192680.db2.gz PCSACMLIODTIRS-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)o2)C1 ZINC000459787747 299193291 /nfs/dbraw/zinc/19/32/91/299193291.db2.gz PXEGGEGECCGBOM-NSHDSACASA-N 2 1 301.228 2.864 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459789185 299193466 /nfs/dbraw/zinc/19/34/66/299193466.db2.gz QHESURUDEJSWOA-IAGOWNOFSA-N 2 1 317.477 2.750 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459794323 299195052 /nfs/dbraw/zinc/19/50/52/299195052.db2.gz UJIVXNOIPUBDPA-CYBMUJFWSA-N 2 1 324.852 2.948 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H](C[NH3+])C2CCCC2)CC1 ZINC000415061415 295853254 /nfs/dbraw/zinc/85/32/54/295853254.db2.gz CQXXDFMPKFUGTH-MRXNPFEDSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000401788514 398687889 /nfs/dbraw/zinc/68/78/89/398687889.db2.gz FPIKPERSIGPESR-GFCCVEGCSA-N 2 1 322.250 2.946 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070862 295854413 /nfs/dbraw/zinc/85/44/13/295854413.db2.gz VREHCFFPAOYZHS-SCLBCKFNSA-N 2 1 300.450 2.991 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000401870361 398689256 /nfs/dbraw/zinc/68/92/56/398689256.db2.gz BLLUCVAOPBBQTC-VINWQNLFSA-N 2 1 300.446 2.664 20 0 DFADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415084508 295855877 /nfs/dbraw/zinc/85/58/77/295855877.db2.gz OPZDDSICGYPSRD-MJGOQNOKSA-N 2 1 312.461 2.662 20 0 DFADMP C[N@H+](CCC(=O)Nc1ccccc1)CC[C@@H]1CCCC[NH+]1C ZINC000173956162 198272565 /nfs/dbraw/zinc/27/25/65/198272565.db2.gz HVFZLAQMQASNLI-KRWDZBQOSA-N 2 1 303.450 2.821 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000173956162 198272566 /nfs/dbraw/zinc/27/25/66/198272566.db2.gz HVFZLAQMQASNLI-KRWDZBQOSA-N 2 1 303.450 2.821 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1)CC[C@@H]1CCCC[N@H+]1C ZINC000173956162 198272568 /nfs/dbraw/zinc/27/25/68/198272568.db2.gz HVFZLAQMQASNLI-KRWDZBQOSA-N 2 1 303.450 2.821 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)c1ccncc1 ZINC000173821842 198256575 /nfs/dbraw/zinc/25/65/75/198256575.db2.gz IOROBWQCQUKRSC-INIZCTEOSA-N 2 1 311.429 2.765 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@H](C)Cn3cc[nH+]c3C)c(C)nc2s1 ZINC000105442980 398692589 /nfs/dbraw/zinc/69/25/89/398692589.db2.gz VHUKKESGNWRFIG-NSHDSACASA-N 2 1 317.462 2.943 20 0 DFADMP CC(C)Oc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000105476436 398693569 /nfs/dbraw/zinc/69/35/69/398693569.db2.gz DANZTGXDCUFVBM-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415115665 295859907 /nfs/dbraw/zinc/85/99/07/295859907.db2.gz YSHPVFQKWICYIK-NJDAHSKKSA-N 2 1 324.468 2.981 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2)C1 ZINC000174206900 198306613 /nfs/dbraw/zinc/30/66/13/198306613.db2.gz AHSYPVDIGWDTTF-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000415115667 295860105 /nfs/dbraw/zinc/86/01/05/295860105.db2.gz YSHPVFQKWICYIK-PWRODBHTSA-N 2 1 324.468 2.981 20 0 DFADMP Cn1cc(C[NH2+]Cc2ccccc2C[N@@H+](C)Cc2ccco2)cn1 ZINC000174451159 198336830 /nfs/dbraw/zinc/33/68/30/198336830.db2.gz AVIFIYPXMGPAJB-UHFFFAOYSA-N 2 1 324.428 2.935 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000174517302 198344397 /nfs/dbraw/zinc/34/43/97/198344397.db2.gz YVLBLBWOBXKIIA-WMZOPIPTSA-N 3 1 319.493 2.589 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000174517302 198344398 /nfs/dbraw/zinc/34/43/98/198344398.db2.gz YVLBLBWOBXKIIA-WMZOPIPTSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@H]1C[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000174517302 198344400 /nfs/dbraw/zinc/34/44/00/198344400.db2.gz YVLBLBWOBXKIIA-WMZOPIPTSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@H]1C[C@@H](NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000174517302 198344402 /nfs/dbraw/zinc/34/44/02/198344402.db2.gz YVLBLBWOBXKIIA-WMZOPIPTSA-N 2 1 319.493 2.589 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771388 198382685 /nfs/dbraw/zinc/38/26/85/198382685.db2.gz HUIDGLBZSZIEHC-PBHICJAKSA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771388 198382686 /nfs/dbraw/zinc/38/26/86/198382686.db2.gz HUIDGLBZSZIEHC-PBHICJAKSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771388 198382688 /nfs/dbraw/zinc/38/26/88/198382688.db2.gz HUIDGLBZSZIEHC-PBHICJAKSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)[C@H](C)C1 ZINC000174771388 198382689 /nfs/dbraw/zinc/38/26/89/198382689.db2.gz HUIDGLBZSZIEHC-PBHICJAKSA-N 2 1 304.434 2.635 20 0 DFADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[C@H](C)[NH3+] ZINC000277063005 213269355 /nfs/dbraw/zinc/26/93/55/213269355.db2.gz NNCQHWGDLKABTA-OAGGEKHMSA-N 2 1 317.477 2.661 20 0 DFADMP CC(C)CN(C(=O)C[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1)C(C)C ZINC000129353385 283011536 /nfs/dbraw/zinc/01/15/36/283011536.db2.gz JBCUTBWDMYLCAM-IRXDYDNUSA-N 2 1 320.481 2.659 20 0 DFADMP CC(C)CN(C(=O)CN1CC[C@H](C)[C@@H](n2ccnc2)C1)C(C)C ZINC000129353385 283011538 /nfs/dbraw/zinc/01/15/38/283011538.db2.gz JBCUTBWDMYLCAM-IRXDYDNUSA-N 2 1 320.481 2.659 20 0 DFADMP CCOC(=O)[C@H](NCCn1cc[nH+]c1C)C1CCCCCC1 ZINC000594046165 398730310 /nfs/dbraw/zinc/73/03/10/398730310.db2.gz FAZDFDAHKJLFRP-MRXNPFEDSA-N 2 1 307.438 2.683 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000236812236 202021672 /nfs/dbraw/zinc/02/16/72/202021672.db2.gz AWFJTNCLDVCVQS-UKRRQHHQSA-N 2 1 301.434 2.868 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]([NH3+])C3)c2C1 ZINC000236812236 202021675 /nfs/dbraw/zinc/02/16/75/202021675.db2.gz AWFJTNCLDVCVQS-UKRRQHHQSA-N 2 1 301.434 2.868 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000074225696 398733083 /nfs/dbraw/zinc/73/30/83/398733083.db2.gz COEMORLECYDZNT-MRXNPFEDSA-N 2 1 320.481 2.635 20 0 DFADMP COc1cc2c(cc1CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)O[C@@H](C)C2 ZINC000132066981 283109256 /nfs/dbraw/zinc/10/92/56/283109256.db2.gz GROABNQIGXYUOE-AYMQEEERSA-N 2 1 318.461 2.837 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@@H]1C)O[C@@H](C)C2 ZINC000132066981 283109257 /nfs/dbraw/zinc/10/92/57/283109257.db2.gz GROABNQIGXYUOE-AYMQEEERSA-N 2 1 318.461 2.837 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)O[C@@H](C)C2 ZINC000132066981 283109260 /nfs/dbraw/zinc/10/92/60/283109260.db2.gz GROABNQIGXYUOE-AYMQEEERSA-N 2 1 318.461 2.837 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(C)(C)C ZINC000463372593 299237095 /nfs/dbraw/zinc/23/70/95/299237095.db2.gz SZLHCXHVUBPRTF-QGZVFWFLSA-N 2 1 319.493 2.774 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133545927 283154209 /nfs/dbraw/zinc/15/42/09/283154209.db2.gz HPIWTMKHKIQSJR-UHFFFAOYSA-N 2 1 314.389 2.938 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(cccc2[N+](=O)[O-])C1 ZINC000133545927 283154214 /nfs/dbraw/zinc/15/42/14/283154214.db2.gz HPIWTMKHKIQSJR-UHFFFAOYSA-N 2 1 314.389 2.938 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224617 199689935 /nfs/dbraw/zinc/68/99/35/199689935.db2.gz DRLRCESNJLHKRZ-QGZVFWFLSA-N 2 1 323.525 2.914 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2occc2C(=O)OC)CC1 ZINC000047978544 398766813 /nfs/dbraw/zinc/76/68/13/398766813.db2.gz HLCJQJPJCVWKCS-UHFFFAOYSA-N 2 1 308.422 2.620 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H](C)c2ccccc2)CC1 ZINC000236875958 202047890 /nfs/dbraw/zinc/04/78/90/202047890.db2.gz KEOQLXIXJXUSKX-SFHVURJKSA-N 2 1 303.494 2.797 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000236892571 202057255 /nfs/dbraw/zinc/05/72/55/202057255.db2.gz QRLOKGSBZVYCIA-RYRKJORJSA-N 2 1 323.525 2.863 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000236940784 202082423 /nfs/dbraw/zinc/08/24/23/202082423.db2.gz ZALVROPWCZQSRI-WMZOPIPTSA-N 2 1 319.493 2.910 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236919604 202071426 /nfs/dbraw/zinc/07/14/26/202071426.db2.gz TYJYYWUXKPIYHU-ZWKOTPCHSA-N 2 1 317.477 2.532 20 0 DFADMP CC[NH+]1CCC(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000236922116 202074077 /nfs/dbraw/zinc/07/40/77/202074077.db2.gz GAOSFLIMCHNJRL-IBGZPJMESA-N 2 1 301.478 2.725 20 0 DFADMP CC[NH+]1CCC(N[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000236922116 202074079 /nfs/dbraw/zinc/07/40/79/202074079.db2.gz GAOSFLIMCHNJRL-IBGZPJMESA-N 2 1 301.478 2.725 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000247553573 283209115 /nfs/dbraw/zinc/20/91/15/283209115.db2.gz YZJAWRLVFUQBHU-SJORKVTESA-N 2 1 311.514 2.687 20 0 DFADMP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000151110997 283276016 /nfs/dbraw/zinc/27/60/16/283276016.db2.gz VYIXLFCFBHWIPW-CVEARBPZSA-N 2 1 319.449 2.856 20 0 DFADMP CC(C)CSCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594503089 398811583 /nfs/dbraw/zinc/81/15/83/398811583.db2.gz SKBJELJOGFQEDI-INIZCTEOSA-N 2 1 300.512 2.609 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000075642722 398814577 /nfs/dbraw/zinc/81/45/77/398814577.db2.gz SPJNEFMLXMGDMX-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000179502995 199047036 /nfs/dbraw/zinc/04/70/36/199047036.db2.gz NPNNYWPDCNWMOL-NVBFEUDRSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000179502995 199047038 /nfs/dbraw/zinc/04/70/38/199047038.db2.gz NPNNYWPDCNWMOL-NVBFEUDRSA-N 2 1 300.805 2.585 20 0 DFADMP CCOC(=O)CC[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000127610103 398822006 /nfs/dbraw/zinc/82/20/06/398822006.db2.gz RMRYJTBDHQHOTM-INIZCTEOSA-N 2 1 307.438 2.637 20 0 DFADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000127610103 398822009 /nfs/dbraw/zinc/82/20/09/398822009.db2.gz RMRYJTBDHQHOTM-INIZCTEOSA-N 2 1 307.438 2.637 20 0 DFADMP Cc1ccc(NCCCNC(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[nH+]c1 ZINC000127720152 398822724 /nfs/dbraw/zinc/82/27/24/398822724.db2.gz NDRHYGCEYDYUKO-OWCLPIDISA-N 2 1 318.465 2.570 20 0 DFADMP Cc1ccc(NCCCNC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[nH+]c1 ZINC000127720152 398822725 /nfs/dbraw/zinc/82/27/25/398822725.db2.gz NDRHYGCEYDYUKO-OWCLPIDISA-N 2 1 318.465 2.570 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000129066715 398833827 /nfs/dbraw/zinc/83/38/27/398833827.db2.gz WZJLVGJYYINRRX-NWDGAFQWSA-N 2 1 306.435 2.542 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000276696592 213052765 /nfs/dbraw/zinc/05/27/65/213052765.db2.gz SYYXRGPHXYWNSZ-GDBMZVCRSA-N 2 1 312.404 2.911 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000276696592 213052766 /nfs/dbraw/zinc/05/27/66/213052766.db2.gz SYYXRGPHXYWNSZ-GDBMZVCRSA-N 2 1 312.404 2.911 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180164563 199124637 /nfs/dbraw/zinc/12/46/37/199124637.db2.gz RTVHIXHQPCSCDJ-VJANTYMQSA-N 2 1 302.462 2.648 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000594734978 398852121 /nfs/dbraw/zinc/85/21/21/398852121.db2.gz GYJFGVSXGGMQLB-GOSISDBHSA-N 2 1 316.445 2.685 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000237411224 202258360 /nfs/dbraw/zinc/25/83/60/202258360.db2.gz ZSQUFOWYPHCUNS-HNNXBMFYSA-N 2 1 309.417 2.803 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594926857 398874024 /nfs/dbraw/zinc/87/40/24/398874024.db2.gz WJNLUTGISNAPDS-ZHCJQAHYSA-N 2 1 310.482 2.532 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000594938438 398876814 /nfs/dbraw/zinc/87/68/14/398876814.db2.gz WDMFDGKIKWASSB-MWQQHZPXSA-N 2 1 308.466 2.571 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1CC[NH+]1CCCCC1 ZINC000077175558 398885524 /nfs/dbraw/zinc/88/55/24/398885524.db2.gz BVXUMUNZMVJCEJ-GOSISDBHSA-N 2 1 301.478 2.679 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180945288 199232384 /nfs/dbraw/zinc/23/23/84/199232384.db2.gz KHAPVDDTXKETCK-OAHLLOKOSA-N 2 1 307.457 2.845 20 0 DFADMP CC[NH+](CC)[C@H](CNc1cc[nH+]c(N(C)C)n1)c1ccco1 ZINC000077213289 398888337 /nfs/dbraw/zinc/88/83/37/398888337.db2.gz YVJFQGKOPYBEAM-CYBMUJFWSA-N 2 1 303.410 2.631 20 0 DFADMP Cc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cs1 ZINC000173962820 283391948 /nfs/dbraw/zinc/39/19/48/283391948.db2.gz MBUPTCBRBAOUKS-UHFFFAOYSA-N 2 1 309.479 2.528 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)CSCCF)CC1 ZINC000595013904 398891882 /nfs/dbraw/zinc/89/18/82/398891882.db2.gz RINYDLCNKASSHP-AWEZNQCLSA-N 2 1 306.491 2.557 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1C ZINC000598955248 398896896 /nfs/dbraw/zinc/89/68/96/398896896.db2.gz KJTZJNIXSVDASU-LSDHHAIUSA-N 2 1 319.449 2.525 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1C ZINC000598955248 398896900 /nfs/dbraw/zinc/89/69/00/398896900.db2.gz KJTZJNIXSVDASU-LSDHHAIUSA-N 2 1 319.449 2.525 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000142313630 398897734 /nfs/dbraw/zinc/89/77/34/398897734.db2.gz SGHTZDCUESVEFD-GOSISDBHSA-N 2 1 301.478 2.855 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000598959770 398897909 /nfs/dbraw/zinc/89/79/09/398897909.db2.gz LSWWEPCKHXXCOU-UHFFFAOYSA-N 2 1 321.446 2.998 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000595079924 398902889 /nfs/dbraw/zinc/90/28/89/398902889.db2.gz HRDROOMSVLPUMX-GPANFISMSA-N 2 1 308.466 2.715 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000595079924 398902891 /nfs/dbraw/zinc/90/28/91/398902891.db2.gz HRDROOMSVLPUMX-GPANFISMSA-N 2 1 308.466 2.715 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(SCC)CC2)[C@H](C)C1 ZINC000595098226 398904403 /nfs/dbraw/zinc/90/44/03/398904403.db2.gz DZIINMKKZMTMGE-CVEARBPZSA-N 2 1 314.539 2.999 20 0 DFADMP c1cc(CCC[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000281015206 216023786 /nfs/dbraw/zinc/02/37/86/216023786.db2.gz YYHAASUFGLLRTI-ZWKOTPCHSA-N 2 1 300.446 2.771 20 0 DFADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(F)c1 ZINC000187968020 200184972 /nfs/dbraw/zinc/18/49/72/200184972.db2.gz DCGSJPIRVQFZTO-SFHVURJKSA-N 2 1 307.457 2.894 20 0 DFADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000292378832 223035427 /nfs/dbraw/zinc/03/54/27/223035427.db2.gz SNTIDSDWEVEPDO-MLGOLLRUSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000292378832 223035429 /nfs/dbraw/zinc/03/54/29/223035429.db2.gz SNTIDSDWEVEPDO-MLGOLLRUSA-N 2 1 319.836 2.780 20 0 DFADMP CC[C@@H](CO)[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188667056 200283789 /nfs/dbraw/zinc/28/37/89/200283789.db2.gz JKESBSOVORLJMF-VJANTYMQSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000188902132 200319718 /nfs/dbraw/zinc/31/97/18/200319718.db2.gz OXGFUDFMGQIQAQ-OGWHTMIXSA-N 2 1 304.478 2.689 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cncn2C)cc1 ZINC000471776024 299303710 /nfs/dbraw/zinc/30/37/10/299303710.db2.gz WJVHPXQDHCRNDJ-AWEZNQCLSA-N 2 1 309.417 2.808 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc3nc(C)ccc3c2)CC1 ZINC000189283741 200375937 /nfs/dbraw/zinc/37/59/37/200375937.db2.gz NYXYDZVJTVCYLM-UHFFFAOYSA-N 2 1 313.445 2.744 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417316257 296009284 /nfs/dbraw/zinc/00/92/84/296009284.db2.gz UDYBQYLACXZKTG-IXDOHACOSA-N 2 1 321.534 2.857 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@H]2c2cccs2)CC1 ZINC000417348758 296012535 /nfs/dbraw/zinc/01/25/35/296012535.db2.gz ZDMGXWQSSSAIKU-VNQPRFMTSA-N 2 1 308.491 2.941 20 0 DFADMP C[N@@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4ccsc43)CC2)C1 ZINC000078262915 398944833 /nfs/dbraw/zinc/94/48/33/398944833.db2.gz YLJRGIHNPCKHAO-CQSZACIVSA-N 2 1 316.474 2.513 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CCN(c3cc[nH+]c4ccsc43)CC2)C1 ZINC000078262915 398944834 /nfs/dbraw/zinc/94/48/34/398944834.db2.gz YLJRGIHNPCKHAO-CQSZACIVSA-N 2 1 316.474 2.513 20 0 DFADMP CC[NH+](CC)Cc1ccc(CNC(=O)[C@H]2CCCC[N@H+]2C)cc1 ZINC000599296121 398950077 /nfs/dbraw/zinc/95/00/77/398950077.db2.gz SEYVJALJAPSQEY-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@@H](c2nccn2C)C1 ZINC000599340718 398956280 /nfs/dbraw/zinc/95/62/80/398956280.db2.gz YYQXPNXXPVSIDP-HUUCEWRRSA-N 2 1 321.465 2.966 20 0 DFADMP COC(=O)CCCC[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000599383115 398970204 /nfs/dbraw/zinc/97/02/04/398970204.db2.gz XNWAGGHGINHAEB-OAHLLOKOSA-N 2 1 319.449 2.660 20 0 DFADMP COC(=O)CCCC[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000599383115 398970211 /nfs/dbraw/zinc/97/02/11/398970211.db2.gz XNWAGGHGINHAEB-OAHLLOKOSA-N 2 1 319.449 2.660 20 0 DFADMP Cn1ccnc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472344775 299324150 /nfs/dbraw/zinc/32/41/50/299324150.db2.gz LSKKLEOWECOOFH-ZWKOTPCHSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1ccnc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000472344775 299324152 /nfs/dbraw/zinc/32/41/52/299324152.db2.gz LSKKLEOWECOOFH-ZWKOTPCHSA-N 2 1 312.461 2.592 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]2C1 ZINC000193632993 201092778 /nfs/dbraw/zinc/09/27/78/201092778.db2.gz GUKZKJXOAWDZBC-KDURUIRLSA-N 2 1 323.440 2.654 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]2C1 ZINC000193632993 201092780 /nfs/dbraw/zinc/09/27/80/201092780.db2.gz GUKZKJXOAWDZBC-KDURUIRLSA-N 2 1 323.440 2.654 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]2C1 ZINC000193632993 201092783 /nfs/dbraw/zinc/09/27/83/201092783.db2.gz GUKZKJXOAWDZBC-KDURUIRLSA-N 2 1 323.440 2.654 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@@H]2C1 ZINC000193632993 201092786 /nfs/dbraw/zinc/09/27/86/201092786.db2.gz GUKZKJXOAWDZBC-KDURUIRLSA-N 2 1 323.440 2.654 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)ccc1C ZINC000194322589 201201906 /nfs/dbraw/zinc/20/19/06/201201906.db2.gz CTOHZWXWKKMBGZ-QGZVFWFLSA-N 2 1 318.461 2.594 20 0 DFADMP O[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000271861922 209277942 /nfs/dbraw/zinc/27/79/42/209277942.db2.gz OFHKJXRNHKCNDV-ZWKOTPCHSA-N 2 1 306.425 2.713 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(O)c1 ZINC000194872376 201304347 /nfs/dbraw/zinc/30/43/47/201304347.db2.gz RIWOLJXUPCDYAR-XHSDSOJGSA-N 2 1 306.450 2.932 20 0 DFADMP c1ccc(CC[NH+]2CCC(N[C@@H]3CC[N@H+](C4CC4)C3)CC2)cc1 ZINC000195267006 201370069 /nfs/dbraw/zinc/37/00/69/201370069.db2.gz WMDXSUZTYASPOG-LJQANCHMSA-N 2 1 313.489 2.520 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CN1Cc1ccccc1 ZINC000275416289 212319626 /nfs/dbraw/zinc/31/96/26/212319626.db2.gz DJNJJYNMUVPROO-NEWSRXKRSA-N 2 1 324.472 2.698 20 0 DFADMP CN(C)C(=O)c1ccccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000418044048 296074161 /nfs/dbraw/zinc/07/41/61/296074161.db2.gz ZXFLOZFSARKYES-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1ccccc1)C1CC1 ZINC000091336544 193043483 /nfs/dbraw/zinc/04/34/83/193043483.db2.gz NNPYUYOJYWUYGZ-MOPGFXCFSA-N 2 1 302.462 2.964 20 0 DFADMP CC[C@H](C(=O)OC)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476984759 299358383 /nfs/dbraw/zinc/35/83/83/299358383.db2.gz MPBKWNSFTDOJKT-NVXWUHKLSA-N 2 1 310.482 2.915 20 0 DFADMP CC[C@H](C(=O)OC)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476984759 299358385 /nfs/dbraw/zinc/35/83/85/299358385.db2.gz MPBKWNSFTDOJKT-NVXWUHKLSA-N 2 1 310.482 2.915 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000092043591 193146877 /nfs/dbraw/zinc/14/68/77/193146877.db2.gz MBGOBTDFQSKVCM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000092043591 193146878 /nfs/dbraw/zinc/14/68/78/193146878.db2.gz MBGOBTDFQSKVCM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043591 193146881 /nfs/dbraw/zinc/14/68/81/193146881.db2.gz MBGOBTDFQSKVCM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000092043591 193146882 /nfs/dbraw/zinc/14/68/82/193146882.db2.gz MBGOBTDFQSKVCM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CCOc1cncc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000621719277 399046109 /nfs/dbraw/zinc/04/61/09/399046109.db2.gz HPXVSYPPGBRDPP-APWZRJJASA-N 2 1 315.461 2.929 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC(C)(C)C)CC1 ZINC000606182705 399050383 /nfs/dbraw/zinc/05/03/83/399050383.db2.gz VNNJYIXBCGKIEE-UHFFFAOYSA-N 2 1 304.438 2.598 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@H]2CCCC[C@@H]21 ZINC000595735069 399061781 /nfs/dbraw/zinc/06/17/81/399061781.db2.gz VKANTFAMCQMWEM-IKGGRYGDSA-N 2 1 310.482 2.772 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc21 ZINC000621750066 399065119 /nfs/dbraw/zinc/06/51/19/399065119.db2.gz HVUCTZCZVYMTGG-QGZVFWFLSA-N 2 1 303.450 2.804 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc21 ZINC000621750066 399065123 /nfs/dbraw/zinc/06/51/23/399065123.db2.gz HVUCTZCZVYMTGG-QGZVFWFLSA-N 2 1 303.450 2.804 20 0 DFADMP COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCCn2ccnc2C)[C@@H](C)C1 ZINC000599697553 399069264 /nfs/dbraw/zinc/06/92/64/399069264.db2.gz RPYOSAJRPRBVNJ-MIFYACCESA-N 2 1 307.438 2.634 20 0 DFADMP COC(=O)[C@@H]1C[C@@H](C)[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000599697553 399069268 /nfs/dbraw/zinc/06/92/68/399069268.db2.gz RPYOSAJRPRBVNJ-MIFYACCESA-N 2 1 307.438 2.634 20 0 DFADMP COC(=O)[C@@H]1C[C@@H](C)[N@H+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000599697553 399069272 /nfs/dbraw/zinc/06/92/72/399069272.db2.gz RPYOSAJRPRBVNJ-MIFYACCESA-N 2 1 307.438 2.634 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000621763134 399072141 /nfs/dbraw/zinc/07/21/41/399072141.db2.gz RCPBCIRROHTVKG-WMZOPIPTSA-N 2 1 315.461 2.806 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)cc2)n1 ZINC000621782244 399077978 /nfs/dbraw/zinc/07/79/78/399077978.db2.gz OBLLAGLNYZNBRK-HKUYNNGSSA-N 2 1 310.445 2.802 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@]4([NH3+])C3)cc2)n1 ZINC000621782244 399077987 /nfs/dbraw/zinc/07/79/87/399077987.db2.gz OBLLAGLNYZNBRK-HKUYNNGSSA-N 2 1 310.445 2.802 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479757166 299383703 /nfs/dbraw/zinc/38/37/03/299383703.db2.gz SJBJEXDEXKSFEB-PHIMTYICSA-N 2 1 301.217 2.523 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000479757166 299383706 /nfs/dbraw/zinc/38/37/06/299383706.db2.gz SJBJEXDEXKSFEB-PHIMTYICSA-N 2 1 301.217 2.523 20 0 DFADMP c1ccc2c(c1)OC[C@H](C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)O2 ZINC000606540209 399086714 /nfs/dbraw/zinc/08/67/14/399086714.db2.gz BTIVBFQGRSJMMD-IRXDYDNUSA-N 2 1 316.445 2.777 20 0 DFADMP c1ccc2c(c1)OC[C@H](C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)O2 ZINC000606540209 399086721 /nfs/dbraw/zinc/08/67/21/399086721.db2.gz BTIVBFQGRSJMMD-IRXDYDNUSA-N 2 1 316.445 2.777 20 0 DFADMP CC[C@H](C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)OC ZINC000419218959 296128554 /nfs/dbraw/zinc/12/85/54/296128554.db2.gz SIGDXRYYBBXIHQ-SOLBZPMBSA-N 2 1 312.498 2.623 20 0 DFADMP c1ccc(C[NH+]2C[C@@H]3C[N@@H+](CCOCC4CCC4)C[C@@H]3C2)cc1 ZINC000419294541 296132554 /nfs/dbraw/zinc/13/25/54/296132554.db2.gz PBQOGZDVORIOKE-BGYRXZFFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[NH+]2C[C@@H]3C[N@H+](CCOCC4CCC4)C[C@@H]3C2)cc1 ZINC000419294541 296132555 /nfs/dbraw/zinc/13/25/55/296132555.db2.gz PBQOGZDVORIOKE-BGYRXZFFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3C[NH+](CCOCC4CCC4)C[C@@H]3C2)cc1 ZINC000419294541 296132556 /nfs/dbraw/zinc/13/25/56/296132556.db2.gz PBQOGZDVORIOKE-BGYRXZFFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3C[NH+](CCOCC4CCC4)C[C@@H]3C2)cc1 ZINC000419294541 296132557 /nfs/dbraw/zinc/13/25/57/296132557.db2.gz PBQOGZDVORIOKE-BGYRXZFFSA-N 2 1 314.473 2.867 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079995715 399105029 /nfs/dbraw/zinc/10/50/29/399105029.db2.gz BFFMINRUBILTFB-GOSISDBHSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H]1C[N@@H+](CC2(C[NH+]3C[C@@H](C)[C@@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375249 296137479 /nfs/dbraw/zinc/13/74/79/296137479.db2.gz RGBJFOGAWHUZMQ-COYYTBTLSA-N 2 1 308.510 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2(C[N@@H+]3C[C@@H](C)[C@@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375249 296137481 /nfs/dbraw/zinc/13/74/81/296137481.db2.gz RGBJFOGAWHUZMQ-COYYTBTLSA-N 2 1 308.510 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2(C[N@H+]3C[C@@H](C)[C@@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375249 296137482 /nfs/dbraw/zinc/13/74/82/296137482.db2.gz RGBJFOGAWHUZMQ-COYYTBTLSA-N 2 1 308.510 2.956 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000262681457 203379572 /nfs/dbraw/zinc/37/95/72/203379572.db2.gz XMZQTLRIQHYXSU-KBAYOESNSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1nccs1 ZINC000093399085 193244333 /nfs/dbraw/zinc/24/43/33/193244333.db2.gz RMIGIFIWEPNURB-CYBMUJFWSA-N 2 1 305.447 2.934 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000093638556 193279386 /nfs/dbraw/zinc/27/93/86/193279386.db2.gz YMBXGVQHSQSWHW-RHSMWYFYSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000093638556 193279389 /nfs/dbraw/zinc/27/93/89/193279389.db2.gz YMBXGVQHSQSWHW-RHSMWYFYSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000093638556 193279390 /nfs/dbraw/zinc/27/93/90/193279390.db2.gz YMBXGVQHSQSWHW-RHSMWYFYSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000093638556 193279392 /nfs/dbraw/zinc/27/93/92/193279392.db2.gz YMBXGVQHSQSWHW-RHSMWYFYSA-N 2 1 306.450 2.866 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340293696 284169067 /nfs/dbraw/zinc/16/90/67/284169067.db2.gz UQKFAGJHGUGBHV-SJORKVTESA-N 2 1 317.477 2.716 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@H]1c1ccccc1 ZINC000340293696 284169069 /nfs/dbraw/zinc/16/90/69/284169069.db2.gz UQKFAGJHGUGBHV-SJORKVTESA-N 2 1 317.477 2.716 20 0 DFADMP CCn1nc(C)c(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000093563826 193268322 /nfs/dbraw/zinc/26/83/22/193268322.db2.gz HBUNERSWQNTLNK-QGZVFWFLSA-N 2 1 304.482 2.970 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1C ZINC000093563826 193268327 /nfs/dbraw/zinc/26/83/27/193268327.db2.gz HBUNERSWQNTLNK-QGZVFWFLSA-N 2 1 304.482 2.970 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597800 193272617 /nfs/dbraw/zinc/27/26/17/193272617.db2.gz LAJPPVLFXSSVLI-INIZCTEOSA-N 2 1 318.461 2.930 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC ZINC000093597800 193272619 /nfs/dbraw/zinc/27/26/19/193272619.db2.gz LAJPPVLFXSSVLI-INIZCTEOSA-N 2 1 318.461 2.930 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)C[C@H]1c1ccccc1 ZINC000340305613 284171847 /nfs/dbraw/zinc/17/18/47/284171847.db2.gz QTTPHYHQESDKII-ROUUACIJSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)C[C@H]1c1ccccc1 ZINC000340305613 284171850 /nfs/dbraw/zinc/17/18/50/284171850.db2.gz QTTPHYHQESDKII-ROUUACIJSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)C[C@@H]1c1ccccc1 ZINC000340305615 284171966 /nfs/dbraw/zinc/17/19/66/284171966.db2.gz QTTPHYHQESDKII-ZWKOTPCHSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(CCO)CCC2)C[C@@H]1c1ccccc1 ZINC000340305615 284171968 /nfs/dbraw/zinc/17/19/68/284171968.db2.gz QTTPHYHQESDKII-ZWKOTPCHSA-N 2 1 302.462 2.964 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683562 193288190 /nfs/dbraw/zinc/28/81/90/193288190.db2.gz MPURIFXXOYSPHY-SFHVURJKSA-N 2 1 315.461 2.953 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000093683562 193288192 /nfs/dbraw/zinc/28/81/92/193288192.db2.gz MPURIFXXOYSPHY-SFHVURJKSA-N 2 1 315.461 2.953 20 0 DFADMP COC(=O)[C@@H](c1ccsc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900445 399127527 /nfs/dbraw/zinc/12/75/27/399127527.db2.gz GJWFVZLKQXMSKT-GDBMZVCRSA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)[C@@H](c1ccsc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900445 399127537 /nfs/dbraw/zinc/12/75/37/399127537.db2.gz GJWFVZLKQXMSKT-GDBMZVCRSA-N 2 1 322.474 2.674 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595900864 399128088 /nfs/dbraw/zinc/12/80/88/399128088.db2.gz ODJAEKJFKYHADX-KRWDZBQOSA-N 2 1 310.482 2.822 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cnc21 ZINC000340419919 284183275 /nfs/dbraw/zinc/18/32/75/284183275.db2.gz ZBTXIXQQXQIJAO-SJORKVTESA-N 2 1 313.449 2.729 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cnc21 ZINC000340419919 284183278 /nfs/dbraw/zinc/18/32/78/284183278.db2.gz ZBTXIXQQXQIJAO-SJORKVTESA-N 2 1 313.449 2.729 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)NCCC[NH2+]C1CCCCC1 ZINC000419888346 296150723 /nfs/dbraw/zinc/15/07/23/296150723.db2.gz FNUJVSLMGCTYMN-KRWDZBQOSA-N 2 1 309.498 2.680 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H](Cn2cccn2)C(C)C)C1 ZINC000340523629 284187936 /nfs/dbraw/zinc/18/79/36/284187936.db2.gz GZPQPGFFXVLUCS-ZWKOTPCHSA-N 2 1 306.498 2.865 20 0 DFADMP CC[NH2+][C@H](C)CNc1cc[nH+]c2ccc(Br)cc12 ZINC000420252111 296165848 /nfs/dbraw/zinc/16/58/48/296165848.db2.gz ZGXSNTMVJMELRS-SNVBAGLBSA-N 2 1 308.223 2.829 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1 ZINC000264687273 204078458 /nfs/dbraw/zinc/07/84/58/204078458.db2.gz QCZYSFCECIBVIT-QGZVFWFLSA-N 2 1 317.477 2.600 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1 ZINC000264687273 204078461 /nfs/dbraw/zinc/07/84/61/204078461.db2.gz QCZYSFCECIBVIT-QGZVFWFLSA-N 2 1 317.477 2.600 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1 ZINC000264687273 204078464 /nfs/dbraw/zinc/07/84/64/204078464.db2.gz QCZYSFCECIBVIT-QGZVFWFLSA-N 2 1 317.477 2.600 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000420265928 296167208 /nfs/dbraw/zinc/16/72/08/296167208.db2.gz FNERFUIWUHFJPV-PWSUYJOCSA-N 2 1 320.234 2.959 20 0 DFADMP Fc1cc2[nH+]ccc(NC[C@H]3C[NH2+]CCCO3)c2cc1Cl ZINC000420265841 296167266 /nfs/dbraw/zinc/16/72/66/296167266.db2.gz FICROCVAHUKQPG-SNVBAGLBSA-N 2 1 309.772 2.818 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420273011 296168204 /nfs/dbraw/zinc/16/82/04/296168204.db2.gz MZDCZULEJXUZSA-LBPRGKRZSA-N 2 1 300.805 2.789 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420273011 296168205 /nfs/dbraw/zinc/16/82/05/296168205.db2.gz MZDCZULEJXUZSA-LBPRGKRZSA-N 2 1 300.805 2.789 20 0 DFADMP CN(c1cc[nH+]c2ccc(Br)cc21)C1CC([NH3+])C1 ZINC000420277692 296168472 /nfs/dbraw/zinc/16/84/72/296168472.db2.gz IRSGWMJXEXFYFB-UHFFFAOYSA-N 2 1 306.207 2.923 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+](C)CC)cc1 ZINC000264869204 204224395 /nfs/dbraw/zinc/22/43/95/204224395.db2.gz GKGGZFOBNKDIGO-UHFFFAOYSA-N 2 1 305.466 2.600 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)CC)cc1 ZINC000264869204 204224397 /nfs/dbraw/zinc/22/43/97/204224397.db2.gz GKGGZFOBNKDIGO-UHFFFAOYSA-N 2 1 305.466 2.600 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)CC)cc1 ZINC000264869204 204224400 /nfs/dbraw/zinc/22/44/00/204224400.db2.gz GKGGZFOBNKDIGO-UHFFFAOYSA-N 2 1 305.466 2.600 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420294662 296170409 /nfs/dbraw/zinc/17/04/09/296170409.db2.gz UBJZBIGLCBATEX-OWCLPIDISA-N 2 1 303.450 2.690 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000420294662 296170410 /nfs/dbraw/zinc/17/04/10/296170410.db2.gz UBJZBIGLCBATEX-OWCLPIDISA-N 2 1 303.450 2.690 20 0 DFADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420293835 296170490 /nfs/dbraw/zinc/17/04/90/296170490.db2.gz ANYBLMDCZVIABX-CVEARBPZSA-N 2 1 303.450 2.725 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2C)CC1 ZINC000420295602 296170506 /nfs/dbraw/zinc/17/05/06/296170506.db2.gz VTONACZFAJKPNX-QGZVFWFLSA-N 2 1 304.434 2.531 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000420295220 296170628 /nfs/dbraw/zinc/17/06/28/296170628.db2.gz BXVFPVRQOIKKHT-RTBURBONSA-N 2 1 304.478 2.956 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)C2CCC(OC)CC2)cc1 ZINC000420299508 296171207 /nfs/dbraw/zinc/17/12/07/296171207.db2.gz IWFFVOHPPVDCLX-HJOIGYKYSA-N 2 1 306.450 2.627 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@H](c2ccc(F)cc2)O1 ZINC000420297182 296170862 /nfs/dbraw/zinc/17/08/62/296170862.db2.gz FRUPGCDTFINWRE-RVKKMQEKSA-N 2 1 306.425 2.977 20 0 DFADMP c1ccc(CC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@H]2CCOC2)cc1 ZINC000420301524 296171729 /nfs/dbraw/zinc/17/17/29/296171729.db2.gz LKOFXAUGDUOWPH-OALUTQOASA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420298916 296171408 /nfs/dbraw/zinc/17/14/08/296171408.db2.gz AFXUBLIWMRESKG-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420298916 296171409 /nfs/dbraw/zinc/17/14/09/296171409.db2.gz AFXUBLIWMRESKG-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)cc1 ZINC000420299407 296171412 /nfs/dbraw/zinc/17/14/12/296171412.db2.gz GLIPKRLJMBAFQU-HNNXBMFYSA-N 2 1 321.440 2.864 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2ccccc2OC)cc1 ZINC000420298340 296171431 /nfs/dbraw/zinc/17/14/31/296171431.db2.gz DZNLZPDLJSDUAI-KRWDZBQOSA-N 2 1 314.429 2.878 20 0 DFADMP c1cc2c(c([C@H]3CCC[N@@H+]3CC[C@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000420298210 296171444 /nfs/dbraw/zinc/17/14/44/296171444.db2.gz HAWZTTPVYWVLMS-NVXWUHKLSA-N 2 1 316.445 2.984 20 0 DFADMP c1cc([C@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000420304867 296172081 /nfs/dbraw/zinc/17/20/81/296172081.db2.gz OUNVOGUGWVDGCM-GOEBONIOSA-N 2 1 302.418 2.942 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)cc1OC ZINC000420303442 296172315 /nfs/dbraw/zinc/17/23/15/296172315.db2.gz KIFOPNQBYTTWIY-ZBFHGGJFSA-N 2 1 304.434 2.840 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000420307363 296172492 /nfs/dbraw/zinc/17/24/92/296172492.db2.gz LZIQPRYVXVBUBD-UOVPBQLFSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000420307363 296172493 /nfs/dbraw/zinc/17/24/93/296172493.db2.gz LZIQPRYVXVBUBD-UOVPBQLFSA-N 2 1 315.461 2.690 20 0 DFADMP C(c1nc(C2CCCC2)no1)[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000420311235 296173342 /nfs/dbraw/zinc/17/33/42/296173342.db2.gz HFTMMJDLZGUXEY-HNNXBMFYSA-N 2 1 304.438 2.549 20 0 DFADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420310978 296173387 /nfs/dbraw/zinc/17/33/87/296173387.db2.gz VPOOUZVJCGJLSG-WNHJNPCNSA-N 2 1 304.478 2.818 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420318857 296174347 /nfs/dbraw/zinc/17/43/47/296174347.db2.gz ORXXQSHYOMNUPG-WSTZPKSXSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000420318857 296174348 /nfs/dbraw/zinc/17/43/48/296174348.db2.gz ORXXQSHYOMNUPG-WSTZPKSXSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000420318857 296174349 /nfs/dbraw/zinc/17/43/49/296174349.db2.gz ORXXQSHYOMNUPG-WSTZPKSXSA-N 3 1 315.505 2.971 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000448370162 297338481 /nfs/dbraw/zinc/33/84/81/297338481.db2.gz GDWKKPQUCSIPGZ-KRWDZBQOSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CC[C@@H]2CC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420318857 296174350 /nfs/dbraw/zinc/17/43/50/296174350.db2.gz ORXXQSHYOMNUPG-WSTZPKSXSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CC[C@@H]2CC[NH2+]C2)CC[NH+]1Cc1ccccc1 ZINC000420318857 296174352 /nfs/dbraw/zinc/17/43/52/296174352.db2.gz ORXXQSHYOMNUPG-WSTZPKSXSA-N 3 1 315.505 2.971 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@H](O)C(C)(C)C1 ZINC000448370162 297338483 /nfs/dbraw/zinc/33/84/83/297338483.db2.gz GDWKKPQUCSIPGZ-KRWDZBQOSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000448370162 297338484 /nfs/dbraw/zinc/33/84/84/297338484.db2.gz GDWKKPQUCSIPGZ-KRWDZBQOSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@H](O)C(C)(C)C1 ZINC000448370162 297338486 /nfs/dbraw/zinc/33/84/86/297338486.db2.gz GDWKKPQUCSIPGZ-KRWDZBQOSA-N 2 1 304.478 2.847 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CC1CCCCC1)C1CC1 ZINC000420318732 296174601 /nfs/dbraw/zinc/17/46/01/296174601.db2.gz ORFVVICQAKAXQM-PMACEKPBSA-N 2 1 316.489 2.962 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CC1CCCCC1)C1CC1 ZINC000420318732 296174602 /nfs/dbraw/zinc/17/46/02/296174602.db2.gz ORFVVICQAKAXQM-PMACEKPBSA-N 2 1 316.489 2.962 20 0 DFADMP CCc1ccc([C@H]2CNCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420319698 296174282 /nfs/dbraw/zinc/17/42/82/296174282.db2.gz RYIBVRATRKVTNG-IEBWSBKVSA-N 2 1 301.478 2.585 20 0 DFADMP CCc1ccc([C@H]2CNCC[N@H+]2CC[C@H]2CCC[NH2+]C2)cc1 ZINC000420319698 296174283 /nfs/dbraw/zinc/17/42/83/296174283.db2.gz RYIBVRATRKVTNG-IEBWSBKVSA-N 2 1 301.478 2.585 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])ccc2o1 ZINC000420321012 296174995 /nfs/dbraw/zinc/17/49/95/296174995.db2.gz VAYUVDMSRIFJBP-OAHLLOKOSA-N 2 1 316.401 2.923 20 0 DFADMP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420325865 296175742 /nfs/dbraw/zinc/17/57/42/296175742.db2.gz WWTAPBUONHZRDC-UXPWSPDFSA-N 2 1 312.457 2.919 20 0 DFADMP O=C(C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420344095 296177988 /nfs/dbraw/zinc/17/79/88/296177988.db2.gz SAHICBITKKHZAE-KBPBESRZSA-N 2 1 321.852 2.600 20 0 DFADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420344095 296177990 /nfs/dbraw/zinc/17/79/90/296177990.db2.gz SAHICBITKKHZAE-KBPBESRZSA-N 2 1 321.852 2.600 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000278238320 214041101 /nfs/dbraw/zinc/04/11/01/214041101.db2.gz LDESJLLAIWPVDI-LPHOPBHVSA-N 2 1 317.477 2.631 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344982 296178179 /nfs/dbraw/zinc/17/81/79/296178179.db2.gz VJRVAFLILJDPFA-SJORKVTESA-N 2 1 318.461 2.786 20 0 DFADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000420343656 296177693 /nfs/dbraw/zinc/17/76/93/296177693.db2.gz ZLMGRAVVRSXQPW-IUODEOHRSA-N 2 1 309.479 2.815 20 0 DFADMP CCc1ccccc1NC(=O)C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420346491 296178482 /nfs/dbraw/zinc/17/84/82/296178482.db2.gz YKPPRTPROTWLDK-QGZVFWFLSA-N 2 1 315.461 2.652 20 0 DFADMP CCOc1ccccc1OCC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420353745 296178913 /nfs/dbraw/zinc/17/89/13/296178913.db2.gz ARYNHFGRZVDZDJ-MRXNPFEDSA-N 2 1 306.450 2.961 20 0 DFADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000420357490 296179714 /nfs/dbraw/zinc/17/97/14/296179714.db2.gz DQPJQURYJFHIBU-MRXNPFEDSA-N 2 1 307.413 2.652 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420367887 296181072 /nfs/dbraw/zinc/18/10/72/296181072.db2.gz WKGGAYZYCGCXFA-SJORKVTESA-N 2 1 318.461 2.687 20 0 DFADMP Cn1c(CC[NH2+][C@@H](C[NH3+])C2CCCCC2)nc2ccccc21 ZINC000420371333 296182021 /nfs/dbraw/zinc/18/20/21/296182021.db2.gz PIBSOUSIXZXEKJ-INIZCTEOSA-N 2 1 300.450 2.613 20 0 DFADMP c1nc([C@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000420374988 296182390 /nfs/dbraw/zinc/18/23/90/296182390.db2.gz OMKVQSPJJKVKAM-KRWDZBQOSA-N 2 1 316.493 2.789 20 0 DFADMP [NH3+]C[C@H]([NH2+]CCc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000420373126 296182161 /nfs/dbraw/zinc/18/21/61/296182161.db2.gz QUJDIHFVTZIQFO-INIZCTEOSA-N 2 1 314.433 2.776 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420381671 296183543 /nfs/dbraw/zinc/18/35/43/296183543.db2.gz ZDTWMAYVCFTMPP-TYNCELHUSA-N 2 1 320.462 2.707 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282681547 217171772 /nfs/dbraw/zinc/17/17/72/217171772.db2.gz AAKOTQJMVYSWCL-IHPCNDPISA-N 2 1 315.505 2.796 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342091304 284324854 /nfs/dbraw/zinc/32/48/54/284324854.db2.gz UHSXKNJZHDZXIC-YUTCNCBUSA-N 2 1 318.852 2.786 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342091304 284324857 /nfs/dbraw/zinc/32/48/57/284324857.db2.gz UHSXKNJZHDZXIC-YUTCNCBUSA-N 2 1 318.852 2.786 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420388642 296185012 /nfs/dbraw/zinc/18/50/12/296185012.db2.gz XEVLPSPLCLUOKA-LRDDRELGSA-N 2 1 319.840 2.788 20 0 DFADMP c1ccc(OCCOCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420401705 296186437 /nfs/dbraw/zinc/18/64/37/296186437.db2.gz PRNVKJINXSQVRW-MJGOQNOKSA-N 2 1 318.461 2.546 20 0 DFADMP COc1cccc(OCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420406897 296187229 /nfs/dbraw/zinc/18/72/29/296187229.db2.gz UTGDCPTVXAUJIP-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]1CC[N@H+](CCOc2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000420413167 296187997 /nfs/dbraw/zinc/18/79/97/296187997.db2.gz STAOYXBCMNVCIO-VXGBXAGGSA-N 2 1 300.805 2.775 20 0 DFADMP C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2Cl)C[C@H]1C[NH3+] ZINC000420413167 296187998 /nfs/dbraw/zinc/18/79/98/296187998.db2.gz STAOYXBCMNVCIO-VXGBXAGGSA-N 2 1 300.805 2.775 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)ccc2o1 ZINC000420422754 296188238 /nfs/dbraw/zinc/18/82/38/296188238.db2.gz ZNMVRQCPMJDQPX-WFASDCNBSA-N 2 1 316.401 2.636 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC23CCC3)C1 ZINC000282763395 217233837 /nfs/dbraw/zinc/23/38/37/217233837.db2.gz OKCPPZHNPGGQHX-ZWKOTPCHSA-N 2 1 300.446 2.676 20 0 DFADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000600992680 399197473 /nfs/dbraw/zinc/19/74/73/399197473.db2.gz ZNQBQJXMKWZGSP-SFHVURJKSA-N 2 1 315.461 2.748 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000600992680 399197476 /nfs/dbraw/zinc/19/74/76/399197476.db2.gz ZNQBQJXMKWZGSP-SFHVURJKSA-N 2 1 315.461 2.748 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000600996963 399198795 /nfs/dbraw/zinc/19/87/95/399198795.db2.gz OKDSUEBXAPCFOQ-DOTOQJQBSA-N 2 1 317.477 2.716 20 0 DFADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000614336612 399211644 /nfs/dbraw/zinc/21/16/44/399211644.db2.gz ZQHZCRDEMGWPCF-OAHLLOKOSA-N 2 1 321.465 2.678 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000622172511 399213904 /nfs/dbraw/zinc/21/39/04/399213904.db2.gz NRJKVPBFQALRNM-IAGOWNOFSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000622172511 399213909 /nfs/dbraw/zinc/21/39/09/399213909.db2.gz NRJKVPBFQALRNM-IAGOWNOFSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000622172511 399213911 /nfs/dbraw/zinc/21/39/11/399213911.db2.gz NRJKVPBFQALRNM-IAGOWNOFSA-N 2 1 321.509 2.774 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2ccc(F)cc2Br)CC1 ZINC000019843446 182156834 /nfs/dbraw/zinc/15/68/34/182156834.db2.gz KPRGNUZYNJXOLJ-UHFFFAOYSA-N 2 1 301.203 2.759 20 0 DFADMP CCc1nc(N2CCC(OCC[NH+](CC)CC)CC2)cc(C)[nH+]1 ZINC000342784320 284411878 /nfs/dbraw/zinc/41/18/78/284411878.db2.gz IYJRKOSKBJOXHY-UHFFFAOYSA-N 2 1 320.481 2.675 20 0 DFADMP CC(C)[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420912718 296211277 /nfs/dbraw/zinc/21/12/77/296211277.db2.gz HVLOHXVXIJSNJH-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP CC(C)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420912718 296211278 /nfs/dbraw/zinc/21/12/78/296211278.db2.gz HVLOHXVXIJSNJH-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP FC(F)C1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420929022 296213580 /nfs/dbraw/zinc/21/35/80/296213580.db2.gz CCRANVFFYTZKIW-UHFFFAOYSA-N 2 1 324.415 2.996 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000420935948 296214880 /nfs/dbraw/zinc/21/48/80/296214880.db2.gz KEFKJGTYEIFRQS-IBGZPJMESA-N 2 1 300.446 2.751 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H](C2CC2)C1 ZINC000420935948 296214881 /nfs/dbraw/zinc/21/48/81/296214881.db2.gz KEFKJGTYEIFRQS-IBGZPJMESA-N 2 1 300.446 2.751 20 0 DFADMP C[C@@H]1C[C@H](NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000267545900 206137167 /nfs/dbraw/zinc/13/71/67/206137167.db2.gz BLCKTJUHIJCRCQ-VQIMIIECSA-N 2 1 301.478 2.723 20 0 DFADMP O[C@]1(Cc2ccc(F)cc2)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000421026272 296228003 /nfs/dbraw/zinc/22/80/03/296228003.db2.gz UCQVYCULIXACFB-IBGZPJMESA-N 2 1 320.452 2.681 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000618903273 399255311 /nfs/dbraw/zinc/25/53/11/399255311.db2.gz PBOQLEIVXITJHG-OLZOCXBDSA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000618903273 399255313 /nfs/dbraw/zinc/25/53/13/399255313.db2.gz PBOQLEIVXITJHG-OLZOCXBDSA-N 2 1 317.389 2.518 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000608362559 399256426 /nfs/dbraw/zinc/25/64/26/399256426.db2.gz RULQEGJLBUCAIA-DOTOQJQBSA-N 2 1 318.465 2.620 20 0 DFADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000618986572 399270686 /nfs/dbraw/zinc/27/06/86/399270686.db2.gz GMBIXXVHFGCGJS-AEFFLSMTSA-N 2 1 317.477 2.526 20 0 DFADMP C[N@@H+](CCC1OCCCO1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267920877 206339833 /nfs/dbraw/zinc/33/98/33/206339833.db2.gz IYOJCNMATAQNND-SFHVURJKSA-N 2 1 318.461 2.593 20 0 DFADMP C[NH+](CCC1OCCCO1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267920877 206339837 /nfs/dbraw/zinc/33/98/37/206339837.db2.gz IYOJCNMATAQNND-SFHVURJKSA-N 2 1 318.461 2.593 20 0 DFADMP C[NH+](CCC1OCCCO1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000267920877 206339838 /nfs/dbraw/zinc/33/98/38/206339838.db2.gz IYOJCNMATAQNND-SFHVURJKSA-N 2 1 318.461 2.593 20 0 DFADMP CCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OCC ZINC000623086494 399324164 /nfs/dbraw/zinc/32/41/64/399324164.db2.gz UZAKHKXDLSFDEE-UHFFFAOYSA-N 2 1 303.406 2.550 20 0 DFADMP CCCCOc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000623087031 399324680 /nfs/dbraw/zinc/32/46/80/399324680.db2.gz YMTQOZRAZJAQGU-UHFFFAOYSA-N 2 1 317.433 2.940 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000623086806 399324821 /nfs/dbraw/zinc/32/48/21/399324821.db2.gz LFLLNFOXYNGEJU-UHFFFAOYSA-N 2 1 322.412 2.726 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCc3cnn(C)c3)C2)CC1 ZINC000623136825 399328298 /nfs/dbraw/zinc/32/82/98/399328298.db2.gz VYLKNWJTSUYULB-IBGZPJMESA-N 2 1 318.509 2.797 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n(C)n1 ZINC000284569676 218081521 /nfs/dbraw/zinc/08/15/21/218081521.db2.gz YRTNKTMABOFIFL-YSIASYRMSA-N 2 1 324.472 2.729 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-n2ccnc2)cc1 ZINC000105443742 194104785 /nfs/dbraw/zinc/10/47/85/194104785.db2.gz BKIVEHSNUWCOQA-OAHLLOKOSA-N 2 1 309.417 2.803 20 0 DFADMP CCOc1ccc([C@@H](COC)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000284883069 218219376 /nfs/dbraw/zinc/21/93/76/218219376.db2.gz VVLQAEGUPOEXQU-FUHWJXTLSA-N 2 1 306.450 2.847 20 0 DFADMP CCOc1ccc([C@@H](COC)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000284883069 218219378 /nfs/dbraw/zinc/21/93/78/218219378.db2.gz VVLQAEGUPOEXQU-FUHWJXTLSA-N 2 1 306.450 2.847 20 0 DFADMP CCOc1ccc([C@@H](COC)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000284883072 218219738 /nfs/dbraw/zinc/21/97/38/218219738.db2.gz VVLQAEGUPOEXQU-SJLPKXTDSA-N 2 1 306.450 2.847 20 0 DFADMP CCOc1ccc([C@@H](COC)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000284883072 218219741 /nfs/dbraw/zinc/21/97/41/218219741.db2.gz VVLQAEGUPOEXQU-SJLPKXTDSA-N 2 1 306.450 2.847 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000284883066 218220026 /nfs/dbraw/zinc/22/00/26/218220026.db2.gz VVLQAEGUPOEXQU-AEFFLSMTSA-N 2 1 306.450 2.847 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000284883066 218220031 /nfs/dbraw/zinc/22/00/31/218220031.db2.gz VVLQAEGUPOEXQU-AEFFLSMTSA-N 2 1 306.450 2.847 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)[NH+](C)C)c1 ZINC000623335878 399364845 /nfs/dbraw/zinc/36/48/45/399364845.db2.gz JUWMJCOSLPKFGR-AEFFLSMTSA-N 2 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623338921 399365378 /nfs/dbraw/zinc/36/53/78/399365378.db2.gz AXHBHFCCDCPVJK-DZGCQCFKSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623338921 399365380 /nfs/dbraw/zinc/36/53/80/399365380.db2.gz AXHBHFCCDCPVJK-DZGCQCFKSA-N 2 1 304.434 2.981 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2ccccc2F)CC1 ZINC000105875650 194152850 /nfs/dbraw/zinc/15/28/50/194152850.db2.gz LOYSUBZZTDLPKW-UHFFFAOYSA-N 2 1 317.408 2.893 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)c2ccc(F)cc2)CC1 ZINC000105876210 194153588 /nfs/dbraw/zinc/15/35/88/194153588.db2.gz GFWPQCVUMJTTKF-KRWDZBQOSA-N 2 1 317.408 2.547 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000623361745 399372748 /nfs/dbraw/zinc/37/27/48/399372748.db2.gz NIDUTTGOFYXXGZ-OAHLLOKOSA-N 2 1 304.434 2.668 20 0 DFADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363185 399372837 /nfs/dbraw/zinc/37/28/37/399372837.db2.gz FBEAKYVIFVHKHT-DLBZAZTESA-N 2 1 307.457 2.891 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363185 399372841 /nfs/dbraw/zinc/37/28/41/399372841.db2.gz FBEAKYVIFVHKHT-DLBZAZTESA-N 2 1 307.457 2.891 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363185 399372843 /nfs/dbraw/zinc/37/28/43/399372843.db2.gz FBEAKYVIFVHKHT-DLBZAZTESA-N 2 1 307.457 2.891 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623379566 399376331 /nfs/dbraw/zinc/37/63/31/399376331.db2.gz YGPALQSYVQBJFK-HNNXBMFYSA-N 2 1 306.450 2.709 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2Cl)CC1 ZINC000106126867 194187909 /nfs/dbraw/zinc/18/79/09/194187909.db2.gz NMXSUTWUQSGDJP-CQSZACIVSA-N 2 1 310.869 2.865 20 0 DFADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623399223 399380405 /nfs/dbraw/zinc/38/04/05/399380405.db2.gz BRGNQXDYPKMQLG-CVEARBPZSA-N 2 1 317.477 2.736 20 0 DFADMP C[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+](C)Cc1ccccc1 ZINC000623413427 399383312 /nfs/dbraw/zinc/38/33/12/399383312.db2.gz VKAGJFVRKYBMON-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)[N@H+](C)Cc1ccccc1 ZINC000623413427 399383315 /nfs/dbraw/zinc/38/33/15/399383315.db2.gz VKAGJFVRKYBMON-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)[N@@H+](C)Cc1ccccc1 ZINC000623413427 399383319 /nfs/dbraw/zinc/38/33/19/399383319.db2.gz VKAGJFVRKYBMON-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413427 399383322 /nfs/dbraw/zinc/38/33/22/399383322.db2.gz VKAGJFVRKYBMON-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)N(C)Cc1ccccc1 ZINC000623413427 399383326 /nfs/dbraw/zinc/38/33/26/399383326.db2.gz VKAGJFVRKYBMON-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432145 399388323 /nfs/dbraw/zinc/38/83/23/399388323.db2.gz GIRLRNJVUNTHNT-CABCVRRESA-N 2 1 306.450 2.925 20 0 DFADMP COc1ccccc1N1CC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445404 399391854 /nfs/dbraw/zinc/39/18/54/399391854.db2.gz PPXYHXINLSPIIZ-JKSUJKDBSA-N 2 1 317.477 2.736 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)CCOc2ccccc2OC)CC1 ZINC000109786514 194284640 /nfs/dbraw/zinc/28/46/40/194284640.db2.gz OIIJYAVCHDAJOR-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccccc2OC)CC1 ZINC000109786514 194284642 /nfs/dbraw/zinc/28/46/42/194284642.db2.gz OIIJYAVCHDAJOR-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445402 399392081 /nfs/dbraw/zinc/39/20/81/399392081.db2.gz PPXYHXINLSPIIZ-HOTGVXAUSA-N 2 1 317.477 2.736 20 0 DFADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C1CC1 ZINC000268835008 207001128 /nfs/dbraw/zinc/00/11/28/207001128.db2.gz AWJVHINBUGDYNN-UWVAXJGDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000268835008 207001133 /nfs/dbraw/zinc/00/11/33/207001133.db2.gz AWJVHINBUGDYNN-UWVAXJGDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000268835008 207001137 /nfs/dbraw/zinc/00/11/37/207001137.db2.gz AWJVHINBUGDYNN-UWVAXJGDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000422560992 296312601 /nfs/dbraw/zinc/31/26/01/296312601.db2.gz IIFVOGOPFNIHRP-VKJFTORMSA-N 2 1 302.462 2.859 20 0 DFADMP CC(C)Oc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268837609 207003366 /nfs/dbraw/zinc/00/33/66/207003366.db2.gz MFTFVGBMQRBIQS-INIZCTEOSA-N 2 1 320.477 2.971 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422565145 296312919 /nfs/dbraw/zinc/31/29/19/296312919.db2.gz XSTMAICSKLETIF-RDBSUJKOSA-N 2 1 310.511 2.795 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)s1 ZINC000422565145 296312920 /nfs/dbraw/zinc/31/29/20/296312920.db2.gz XSTMAICSKLETIF-RDBSUJKOSA-N 2 1 310.511 2.795 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422565144 296313039 /nfs/dbraw/zinc/31/30/39/296313039.db2.gz XSTMAICSKLETIF-MJBXVCDLSA-N 2 1 310.511 2.795 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)s1 ZINC000422565144 296313040 /nfs/dbraw/zinc/31/30/40/296313040.db2.gz XSTMAICSKLETIF-MJBXVCDLSA-N 2 1 310.511 2.795 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000268858028 207027255 /nfs/dbraw/zinc/02/72/55/207027255.db2.gz ZUOZGHQCXUTSKA-ZDUSSCGKSA-N 2 1 301.390 2.704 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C)C2)cc1)C(C)C ZINC000110652350 194346795 /nfs/dbraw/zinc/34/67/95/194346795.db2.gz QUFCFWWRQMFTKG-KRWDZBQOSA-N 2 1 317.477 2.598 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1)C(C)C ZINC000110652350 194346796 /nfs/dbraw/zinc/34/67/96/194346796.db2.gz QUFCFWWRQMFTKG-KRWDZBQOSA-N 2 1 317.477 2.598 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1)C(C)C ZINC000110652350 194346798 /nfs/dbraw/zinc/34/67/98/194346798.db2.gz QUFCFWWRQMFTKG-KRWDZBQOSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000623473712 399397299 /nfs/dbraw/zinc/39/72/99/399397299.db2.gz FJKFAHBYOYKFNY-GDBMZVCRSA-N 2 1 313.449 2.791 20 0 DFADMP CSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000268875653 207045246 /nfs/dbraw/zinc/04/52/46/207045246.db2.gz WQDZQOUMJHKJRR-TZMCWYRMSA-N 2 1 312.454 2.655 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc(OC)c1OC ZINC000268879278 207049077 /nfs/dbraw/zinc/04/90/77/207049077.db2.gz FFGUFQNTDIUNGO-QWHCGFSZSA-N 2 1 310.438 2.703 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623493626 399401154 /nfs/dbraw/zinc/40/11/54/399401154.db2.gz LWLRJFCVDHNIGW-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493626 399401155 /nfs/dbraw/zinc/40/11/55/399401155.db2.gz LWLRJFCVDHNIGW-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623493626 399401157 /nfs/dbraw/zinc/40/11/57/399401157.db2.gz LWLRJFCVDHNIGW-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623493626 399401159 /nfs/dbraw/zinc/40/11/59/399401159.db2.gz LWLRJFCVDHNIGW-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623493626 399401162 /nfs/dbraw/zinc/40/11/62/399401162.db2.gz LWLRJFCVDHNIGW-NEWSRXKRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000422625044 296316464 /nfs/dbraw/zinc/31/64/64/296316464.db2.gz AKGJGJGMTNNTLF-RDBSUJKOSA-N 2 1 323.868 2.974 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccccc21 ZINC000268904042 207072353 /nfs/dbraw/zinc/07/23/53/207072353.db2.gz LPLVAARMRVVVSL-HKUYNNGSSA-N 2 1 302.462 2.891 20 0 DFADMP c1cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nc2s1 ZINC000422699552 296318153 /nfs/dbraw/zinc/31/81/53/296318153.db2.gz DPSROSWGYIUUOB-RBSFLKMASA-N 2 1 304.463 2.796 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C(C)(C)C ZINC000268917590 207084680 /nfs/dbraw/zinc/08/46/80/207084680.db2.gz VHKFVJGMIJHKNT-KBAYOESNSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268926939 207092670 /nfs/dbraw/zinc/09/26/70/207092670.db2.gz YJOUACZWPXBUOR-YSHGAJCASA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268926939 207092674 /nfs/dbraw/zinc/09/26/74/207092674.db2.gz YJOUACZWPXBUOR-YSHGAJCASA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1c[nH+]ccc1N ZINC000422705918 296318922 /nfs/dbraw/zinc/31/89/22/296318922.db2.gz DALJQRSKXQFBAY-SJKOYZFVSA-N 2 1 302.397 2.587 20 0 DFADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623505799 399404304 /nfs/dbraw/zinc/40/43/04/399404304.db2.gz QOOCDIUFIBMSCC-HOTGVXAUSA-N 2 1 304.482 2.784 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)ccc1Cl ZINC000623507936 399404971 /nfs/dbraw/zinc/40/49/71/399404971.db2.gz BJEUOHMQTREMQA-ZDUSSCGKSA-N 2 1 305.809 2.897 20 0 DFADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709631 296319647 /nfs/dbraw/zinc/31/96/47/296319647.db2.gz KXPJNCXIZFLZNL-MJGOQNOKSA-N 2 1 317.477 2.564 20 0 DFADMP CCCCN(C)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709631 296319650 /nfs/dbraw/zinc/31/96/50/296319650.db2.gz KXPJNCXIZFLZNL-MJGOQNOKSA-N 2 1 317.477 2.564 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1(C)C ZINC000623513068 399405680 /nfs/dbraw/zinc/40/56/80/399405680.db2.gz HGFDBXNTQRNUOZ-IKGGRYGDSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(CN[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422709963 296319955 /nfs/dbraw/zinc/31/99/55/296319955.db2.gz ZZWWFQKFKNOPRR-SJLPKXTDSA-N 2 1 301.478 2.540 20 0 DFADMP CC(C)(CN[C@@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422709963 296319956 /nfs/dbraw/zinc/31/99/56/296319956.db2.gz ZZWWFQKFKNOPRR-SJLPKXTDSA-N 2 1 301.478 2.540 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)ncc1Br ZINC000623528021 399408773 /nfs/dbraw/zinc/40/87/73/399408773.db2.gz UQVOXROJBMMLBB-SNVBAGLBSA-N 2 1 321.222 2.523 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)cc1OC1CC1 ZINC000623527844 399408922 /nfs/dbraw/zinc/40/89/22/399408922.db2.gz KBBJLRLLFNHEHJ-ZDUSSCGKSA-N 2 1 313.401 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3cccnc3)C2)CC1(C)C ZINC000623540393 399411682 /nfs/dbraw/zinc/41/16/82/399411682.db2.gz XREMSELVWJTDFR-ULQDDVLXSA-N 2 1 303.450 2.764 20 0 DFADMP CC[C@H](NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722213 296321813 /nfs/dbraw/zinc/32/18/13/296321813.db2.gz XERCBWMNZQQGOY-BPUTZDHNSA-N 2 1 307.507 2.615 20 0 DFADMP CC[C@H](NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722213 296321815 /nfs/dbraw/zinc/32/18/15/296321815.db2.gz XERCBWMNZQQGOY-BPUTZDHNSA-N 2 1 307.507 2.615 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722213 296321816 /nfs/dbraw/zinc/32/18/16/296321816.db2.gz XERCBWMNZQQGOY-BPUTZDHNSA-N 2 1 307.507 2.615 20 0 DFADMP CCN(CC)C[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720739 296321277 /nfs/dbraw/zinc/32/12/77/296321277.db2.gz SZTQGYUOOIRPRX-IEZWGBDMSA-N 2 1 317.477 2.562 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623561109 399416236 /nfs/dbraw/zinc/41/62/36/399416236.db2.gz BLPVVRURQVVRAT-BBWFWOEESA-N 2 1 320.481 2.756 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623561109 399416238 /nfs/dbraw/zinc/41/62/38/399416238.db2.gz BLPVVRURQVVRAT-BBWFWOEESA-N 2 1 320.481 2.756 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563631 399417157 /nfs/dbraw/zinc/41/71/57/399417157.db2.gz FFKFCFCJEDZTPX-DPZWOIPNSA-N 2 1 314.473 2.777 20 0 DFADMP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623570429 399419230 /nfs/dbraw/zinc/41/92/30/399419230.db2.gz RIKBQWKWHYCDGE-ULQDDVLXSA-N 2 1 304.482 2.594 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727819 296322438 /nfs/dbraw/zinc/32/24/38/296322438.db2.gz HZBSUTNMYXAPQI-NCXUSEDFSA-N 2 1 319.468 2.939 20 0 DFADMP CS[C@H](CO)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268985490 207143120 /nfs/dbraw/zinc/14/31/20/207143120.db2.gz FJBVNTAZESRLIM-OGHNNQOOSA-N 2 1 319.474 2.944 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575125 399419613 /nfs/dbraw/zinc/41/96/13/399419613.db2.gz LWIMYICMMWPZKO-MSOLQXFVSA-N 2 1 301.478 2.723 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1)O[C@@H](C)C2 ZINC000623655263 399435845 /nfs/dbraw/zinc/43/58/45/399435845.db2.gz SRHYKFKAJXLWIF-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)O[C@@H](C)C2 ZINC000623655263 399435847 /nfs/dbraw/zinc/43/58/47/399435847.db2.gz SRHYKFKAJXLWIF-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP CC1(C)CC([NH2+]Cc2cccc3c2OCCO3)CC(C)(C)[NH2+]1 ZINC000060856826 184156780 /nfs/dbraw/zinc/15/67/80/184156780.db2.gz IKOWAVQGSXLRMV-UHFFFAOYSA-N 2 1 304.434 2.857 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000623656601 399437464 /nfs/dbraw/zinc/43/74/64/399437464.db2.gz YDOZXKZYKWNOSN-QGZVFWFLSA-N 2 1 302.466 2.503 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000623656601 399437466 /nfs/dbraw/zinc/43/74/66/399437466.db2.gz YDOZXKZYKWNOSN-QGZVFWFLSA-N 2 1 302.466 2.503 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C[C@H](C)O ZINC000269067512 207214761 /nfs/dbraw/zinc/21/47/61/207214761.db2.gz WCJGTJGHHXVAFP-CVEARBPZSA-N 2 1 322.468 2.829 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2CCN(c3ccc(Cl)cc3F)C2)CC1 ZINC000623755988 399460689 /nfs/dbraw/zinc/46/06/89/399460689.db2.gz OSOUMUDVJBXVKB-AWEZNQCLSA-N 2 1 311.832 2.742 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3C3CC3)C2)CC1 ZINC000611269136 399454698 /nfs/dbraw/zinc/45/46/98/399454698.db2.gz YKLSTQHIBWYCRN-LJQANCHMSA-N 2 1 313.489 2.776 20 0 DFADMP Cc1scc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000602484239 399459173 /nfs/dbraw/zinc/45/91/73/399459173.db2.gz NDJQMDWUTFRGTB-SFHVURJKSA-N 2 1 321.534 2.965 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000602513717 399465351 /nfs/dbraw/zinc/46/53/51/399465351.db2.gz HAHIZOQMCYUUJA-AWEZNQCLSA-N 2 1 321.465 2.854 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000422752741 296326816 /nfs/dbraw/zinc/32/68/16/296326816.db2.gz FIEFGXWSQPXJOE-HKUYNNGSSA-N 2 1 317.477 2.564 20 0 DFADMP COc1cccc([C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CCCC2)c1 ZINC000422752744 296326840 /nfs/dbraw/zinc/32/68/40/296326840.db2.gz FIEFGXWSQPXJOE-PKOBYXMFSA-N 2 1 317.477 2.564 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)CCC[NH3+])c1 ZINC000269239030 207369417 /nfs/dbraw/zinc/36/94/17/207369417.db2.gz AEQHUOSGRYCFGO-UHFFFAOYSA-N 2 1 305.466 2.664 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3COc4ccccc4O3)CC[NH2+]2)cc1 ZINC000422752299 296327002 /nfs/dbraw/zinc/32/70/02/296327002.db2.gz DRYAGLMBBAITQE-BZSNNMDCSA-N 2 1 324.424 2.909 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422767149 296329711 /nfs/dbraw/zinc/32/97/11/296329711.db2.gz YEOXJIRJTLCSJO-WDSOQIARSA-N 2 1 317.477 2.549 20 0 DFADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cc(C)ccc1C ZINC000623887206 399487595 /nfs/dbraw/zinc/48/75/95/399487595.db2.gz XEFLJLMUSVGAGD-GOSISDBHSA-N 2 1 317.477 2.508 20 0 DFADMP COC(=O)c1csc(C[NH2+]CC[C@@H](C)[NH+]2CCCCC2)c1 ZINC000602609070 399489712 /nfs/dbraw/zinc/48/97/12/399489712.db2.gz QSBMFGLBTVGSCF-CYBMUJFWSA-N 2 1 310.463 2.889 20 0 DFADMP CCOC(=O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000602629748 399496277 /nfs/dbraw/zinc/49/62/77/399496277.db2.gz JFZOUASKDOWEMU-VDZJLULYSA-N 2 1 318.461 2.580 20 0 DFADMP C[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000623940803 399499882 /nfs/dbraw/zinc/49/98/82/399499882.db2.gz DMUAIWOWHCYBAK-GOSISDBHSA-N 2 1 317.477 2.804 20 0 DFADMP C[N@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCOCC3)c2)CC1(C)C ZINC000623940803 399499885 /nfs/dbraw/zinc/49/98/85/399499885.db2.gz DMUAIWOWHCYBAK-GOSISDBHSA-N 2 1 317.477 2.804 20 0 DFADMP C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@H]1CCCC[NH2+]1 ZINC000422795752 296334401 /nfs/dbraw/zinc/33/44/01/296334401.db2.gz WOMBRDFTTZKICW-RDTXWAMCSA-N 2 1 316.424 2.674 20 0 DFADMP C[C@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422796623 296334477 /nfs/dbraw/zinc/33/44/77/296334477.db2.gz YRZAZRKFYCEOHK-QFBILLFUSA-N 2 1 301.478 2.760 20 0 DFADMP CC[C@H]([NH2+]Cc1cc(N(C)C)nc2ccccc12)[C@@H]1CCC[NH2+]1 ZINC000422802497 296335998 /nfs/dbraw/zinc/33/59/98/296335998.db2.gz DKBFKHFWAFCHTE-WMZOPIPTSA-N 2 1 312.461 2.921 20 0 DFADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])cc2)CC1 ZINC000422810949 296337304 /nfs/dbraw/zinc/33/73/04/296337304.db2.gz VAAXREKSGHJIHR-RTBURBONSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)C1C[NH2+]C1 ZINC000422810989 296337311 /nfs/dbraw/zinc/33/73/11/296337311.db2.gz VCWKRXCNWNXUBQ-INIZCTEOSA-N 2 1 301.478 2.616 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422807738 296336711 /nfs/dbraw/zinc/33/67/11/296336711.db2.gz PHWRQJABCGKPEW-LIRRHRJNSA-N 2 1 311.429 2.693 20 0 DFADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422814089 296337899 /nfs/dbraw/zinc/33/78/99/296337899.db2.gz ZMHSYZQQDYVZDI-OWCLPIDISA-N 2 1 324.465 2.794 20 0 DFADMP CC[C@@H](NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812650 296337635 /nfs/dbraw/zinc/33/76/35/296337635.db2.gz YCLYXYHYFHNDPD-RTBURBONSA-N 2 1 301.478 2.555 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631842158 399506032 /nfs/dbraw/zinc/50/60/32/399506032.db2.gz WHQKTDGYLDREMP-QAPCUYQASA-N 2 1 323.440 2.966 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)C2C[NH2+]C2)c(OC2CCCC2)c1 ZINC000422825950 296340113 /nfs/dbraw/zinc/34/01/13/296340113.db2.gz QGRDKSIKQRWTFO-CYBMUJFWSA-N 2 1 304.434 2.714 20 0 DFADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845835 399507806 /nfs/dbraw/zinc/50/78/06/399507806.db2.gz MDFKKXHYHVEARP-WMLDXEAASA-N 2 1 321.428 2.898 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830739 296341063 /nfs/dbraw/zinc/34/10/63/296341063.db2.gz RQCUNFISHOJWNG-RHSMWYFYSA-N 3 1 307.507 2.548 20 0 DFADMP C[C@H](NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422830409 296341100 /nfs/dbraw/zinc/34/11/00/296341100.db2.gz QZIWNGURXMGEAS-YOEHRIQHSA-N 2 1 307.507 2.690 20 0 DFADMP C[C@@H](NCC1CC[NH+](Cc2cccs2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422830406 296341181 /nfs/dbraw/zinc/34/11/81/296341181.db2.gz QZIWNGURXMGEAS-PBHICJAKSA-N 2 1 307.507 2.690 20 0 DFADMP c1csc(C[N@H+]2CCC[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829924 296340665 /nfs/dbraw/zinc/34/06/65/296340665.db2.gz CHLFDGWEEMZUNL-HOTGVXAUSA-N 2 1 307.507 2.692 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@@H](CN[C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829924 296340666 /nfs/dbraw/zinc/34/06/66/296340666.db2.gz CHLFDGWEEMZUNL-HOTGVXAUSA-N 2 1 307.507 2.692 20 0 DFADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829924 296340667 /nfs/dbraw/zinc/34/06/67/296340667.db2.gz CHLFDGWEEMZUNL-HOTGVXAUSA-N 3 1 307.507 2.692 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829924 296340668 /nfs/dbraw/zinc/34/06/68/296340668.db2.gz CHLFDGWEEMZUNL-HOTGVXAUSA-N 3 1 307.507 2.692 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422839513 296342405 /nfs/dbraw/zinc/34/24/05/296342405.db2.gz QJAOJKOVWSWLHR-SOLBZPMBSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422839513 296342406 /nfs/dbraw/zinc/34/24/06/296342406.db2.gz QJAOJKOVWSWLHR-SOLBZPMBSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834953 296341757 /nfs/dbraw/zinc/34/17/57/296341757.db2.gz HZWQVDBPUJQBGD-ZMSDIMECSA-N 2 1 307.507 2.690 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1)C1C[NH2+]C1 ZINC000422843529 296343357 /nfs/dbraw/zinc/34/33/57/296343357.db2.gz IQGZCDOHRDZMIY-CXAGYDPISA-N 2 1 307.869 2.674 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000422858290 296345785 /nfs/dbraw/zinc/34/57/85/296345785.db2.gz IHASPGMILVIDLF-ZFWWWQNUSA-N 2 1 306.450 2.569 20 0 DFADMP COc1cc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1OC ZINC000422873459 296348211 /nfs/dbraw/zinc/34/82/11/296348211.db2.gz AKTXWJJCFTVWMZ-YXQSOJMXSA-N 2 1 320.433 2.646 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422868741 296347404 /nfs/dbraw/zinc/34/74/04/296347404.db2.gz VTWLPEVIWCDYSG-LZQZEXGQSA-N 2 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422868741 296347405 /nfs/dbraw/zinc/34/74/05/296347405.db2.gz VTWLPEVIWCDYSG-LZQZEXGQSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3[NH3+])cc2)C1 ZINC000422868741 296347406 /nfs/dbraw/zinc/34/74/06/296347406.db2.gz VTWLPEVIWCDYSG-LZQZEXGQSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000422875575 296348687 /nfs/dbraw/zinc/34/86/87/296348687.db2.gz PFRLDJJEACABJC-RWQQGDIJSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000422875575 296348688 /nfs/dbraw/zinc/34/86/88/296348688.db2.gz PFRLDJJEACABJC-RWQQGDIJSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000119699937 195021482 /nfs/dbraw/zinc/02/14/82/195021482.db2.gz JQLOFEWYFLREBA-LRTDBIEQSA-N 2 1 306.475 2.701 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422892447 296351433 /nfs/dbraw/zinc/35/14/33/296351433.db2.gz YPCPPJCMZITFHB-HTBDUDNFSA-N 2 1 303.494 2.858 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000422892447 296351434 /nfs/dbraw/zinc/35/14/34/296351434.db2.gz YPCPPJCMZITFHB-HTBDUDNFSA-N 3 1 303.494 2.858 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422892447 296351435 /nfs/dbraw/zinc/35/14/35/296351435.db2.gz YPCPPJCMZITFHB-HTBDUDNFSA-N 3 1 303.494 2.858 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422890540 296351585 /nfs/dbraw/zinc/35/15/85/296351585.db2.gz IMVPBULGSANVTN-SFHVURJKSA-N 3 1 319.493 2.639 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCC[C@@H]1C[NH3+] ZINC000422897342 296352510 /nfs/dbraw/zinc/35/25/10/296352510.db2.gz ZQMYHNDQSOQMQX-AEFFLSMTSA-N 2 1 319.493 2.624 20 0 DFADMP CC1CCN(c2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)cn2)CC1 ZINC000422897492 296352583 /nfs/dbraw/zinc/35/25/83/296352583.db2.gz ZUWVXFPYUGBRIG-JWTNVVGKSA-N 2 1 314.477 2.691 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000422904905 296353662 /nfs/dbraw/zinc/35/36/62/296353662.db2.gz YHYXBUSTPXJMJY-GOSISDBHSA-N 2 1 301.478 2.691 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OC1CCCC1 ZINC000422937691 296357929 /nfs/dbraw/zinc/35/79/29/296357929.db2.gz JWRWMRPXLGIKFR-JKSUJKDBSA-N 2 1 304.434 2.986 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1 ZINC000422935971 296357623 /nfs/dbraw/zinc/35/76/23/296357623.db2.gz LLDVPYCXTMULHP-NXEZZACHSA-N 2 1 301.228 2.673 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887300 399519442 /nfs/dbraw/zinc/51/94/42/399519442.db2.gz QDYPAQLGTYDTNW-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422946666 296359408 /nfs/dbraw/zinc/35/94/08/296359408.db2.gz XAEYGXJHOXKWEQ-ZWKOTPCHSA-N 2 1 317.477 2.966 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)ccc1SC ZINC000631887236 399520103 /nfs/dbraw/zinc/52/01/03/399520103.db2.gz MOWXWDUALNEHBC-GJZGRUSLSA-N 2 1 306.475 2.991 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)ccc1SC ZINC000631887236 399520105 /nfs/dbraw/zinc/52/01/05/399520105.db2.gz MOWXWDUALNEHBC-GJZGRUSLSA-N 2 1 306.475 2.991 20 0 DFADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)OCCCO2 ZINC000269982796 208035003 /nfs/dbraw/zinc/03/50/03/208035003.db2.gz RLHPSQYMIOINQZ-CVEARBPZSA-N 2 1 302.418 2.564 20 0 DFADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)OCCCO2 ZINC000269982796 208035006 /nfs/dbraw/zinc/03/50/06/208035006.db2.gz RLHPSQYMIOINQZ-CVEARBPZSA-N 2 1 302.418 2.564 20 0 DFADMP CCc1noc(-c2ccc(CC[NH2+][C@H](C)[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422958272 296360906 /nfs/dbraw/zinc/36/09/06/296360906.db2.gz OXPUXOYTUMIREY-CZUORRHYSA-N 2 1 314.433 2.572 20 0 DFADMP COC(=O)CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422959482 296360917 /nfs/dbraw/zinc/36/09/17/296360917.db2.gz SFHDJSKNSJPAQV-WFVVYAPDSA-N 2 1 302.418 2.554 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000270026555 208081583 /nfs/dbraw/zinc/08/15/83/208081583.db2.gz XPEOPFOYTNXJAQ-ZYHUDNBSSA-N 2 1 302.340 2.999 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[N@H+]1C ZINC000270026555 208081588 /nfs/dbraw/zinc/08/15/88/208081588.db2.gz XPEOPFOYTNXJAQ-ZYHUDNBSSA-N 2 1 302.340 2.999 20 0 DFADMP C[C@@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@H]1CCC[NH2+]1 ZINC000422954473 296360223 /nfs/dbraw/zinc/36/02/23/296360223.db2.gz ITWONTTVFDETNW-UKRRQHHQSA-N 2 1 316.474 2.868 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422953336 296360321 /nfs/dbraw/zinc/36/03/21/296360321.db2.gz FHJLFCLLXNCMRV-LAVFITLUSA-N 3 1 304.482 2.728 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422961114 296361293 /nfs/dbraw/zinc/36/12/93/296361293.db2.gz ANNSEMKOGQSKAI-PBHICJAKSA-N 2 1 303.450 2.881 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000347518640 285070160 /nfs/dbraw/zinc/07/01/60/285070160.db2.gz IRWYKZXVTUKQFA-CVEARBPZSA-N 2 1 311.514 2.924 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000422965252 296361956 /nfs/dbraw/zinc/36/19/56/296361956.db2.gz ODQBFQAVZOFINL-HNAYVOBHSA-N 2 1 312.461 2.701 20 0 DFADMP CC(C)[N@@H+](C)CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969294 296362803 /nfs/dbraw/zinc/36/28/03/296362803.db2.gz ZOLSICKVHBKRRQ-MJGOQNOKSA-N 2 1 317.477 2.562 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969294 296362804 /nfs/dbraw/zinc/36/28/04/296362804.db2.gz ZOLSICKVHBKRRQ-MJGOQNOKSA-N 3 1 317.477 2.562 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422969294 296362806 /nfs/dbraw/zinc/36/28/06/296362806.db2.gz ZOLSICKVHBKRRQ-MJGOQNOKSA-N 3 1 317.477 2.562 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccco1 ZINC000422971570 296362974 /nfs/dbraw/zinc/36/29/74/296362974.db2.gz JECAMYCRMFJQOS-CZUORRHYSA-N 2 1 302.422 2.821 20 0 DFADMP CC1CCC(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000347542526 285075185 /nfs/dbraw/zinc/07/51/85/285075185.db2.gz PHOZFODUDONVFL-LXPRWKDFSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000422997475 296365293 /nfs/dbraw/zinc/36/52/93/296365293.db2.gz BJKNLJGIQWORTJ-AEFFLSMTSA-N 3 1 301.478 2.629 20 0 DFADMP Fc1cccnc1OCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422998043 296365517 /nfs/dbraw/zinc/36/55/17/296365517.db2.gz PIPNOAFIRLUOCL-DOTOQJQBSA-N 2 1 315.392 2.682 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000423008784 296367015 /nfs/dbraw/zinc/36/70/15/296367015.db2.gz AZDRLFIGCFANSG-XIRDDKMYSA-N 2 1 305.441 2.915 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000270234193 208296255 /nfs/dbraw/zinc/29/62/55/208296255.db2.gz OWGZJSIRVLZWLP-IUODEOHRSA-N 2 1 320.462 2.925 20 0 DFADMP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C2 ZINC000423013683 296367780 /nfs/dbraw/zinc/36/77/80/296367780.db2.gz NFPYKNBZPDAILT-XUVXKRRUSA-N 2 1 314.473 2.538 20 0 DFADMP c1ccc2c(c1)CC(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C2 ZINC000423013681 296367814 /nfs/dbraw/zinc/36/78/14/296367814.db2.gz NFPYKNBZPDAILT-AQNXPRMDSA-N 2 1 314.473 2.538 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@@H]2CCC[C@@H]21 ZINC000624055694 399538186 /nfs/dbraw/zinc/53/81/86/399538186.db2.gz MRABSRFVGYJZKO-VJANTYMQSA-N 2 1 300.446 2.590 20 0 DFADMP CS[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)C(C)(C)C ZINC000423026884 296369200 /nfs/dbraw/zinc/36/92/00/296369200.db2.gz CMCGELAZORKVPV-KBUPBQIOSA-N 2 1 300.512 2.511 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000157806870 285098557 /nfs/dbraw/zinc/09/85/57/285098557.db2.gz UGVAZIQJWMDREC-MSOLQXFVSA-N 2 1 317.477 2.774 20 0 DFADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423039962 296371081 /nfs/dbraw/zinc/37/10/81/296371081.db2.gz GJBZGGMXINKSCJ-MZSJESITSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423039962 296371082 /nfs/dbraw/zinc/37/10/82/296371082.db2.gz GJBZGGMXINKSCJ-MZSJESITSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423039962 296371083 /nfs/dbraw/zinc/37/10/83/296371083.db2.gz GJBZGGMXINKSCJ-MZSJESITSA-N 3 1 313.489 2.770 20 0 DFADMP COc1cccc([C@@H]2[C@H](N[C@H](C)C[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000423041747 296371127 /nfs/dbraw/zinc/37/11/27/296371127.db2.gz JQCLQIJPMMINDS-WTVLQJKYSA-N 2 1 317.477 2.688 20 0 DFADMP COc1cccc([C@@H]2[C@H](N[C@H](C)C[C@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000423041747 296371129 /nfs/dbraw/zinc/37/11/29/296371129.db2.gz JQCLQIJPMMINDS-WTVLQJKYSA-N 2 1 317.477 2.688 20 0 DFADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCO1 ZINC000423039938 296370575 /nfs/dbraw/zinc/37/05/75/296370575.db2.gz GFTYUCKDBGBCGG-QQXKLLMISA-N 2 1 324.509 2.717 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000620622580 399544794 /nfs/dbraw/zinc/54/47/94/399544794.db2.gz XCODFCMMGYARES-UHFFFAOYSA-N 2 1 311.514 2.735 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077847 399545298 /nfs/dbraw/zinc/54/52/98/399545298.db2.gz FBKJHWNGOXITST-DOTOQJQBSA-N 2 1 302.466 2.794 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000624077847 399545303 /nfs/dbraw/zinc/54/53/03/399545303.db2.gz FBKJHWNGOXITST-DOTOQJQBSA-N 2 1 302.466 2.794 20 0 DFADMP C[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059360 296373360 /nfs/dbraw/zinc/37/33/60/296373360.db2.gz FKIDQLCDZVIJQG-MNEFBYGVSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423058028 296373082 /nfs/dbraw/zinc/37/30/82/296373082.db2.gz BJADKNZJXNOOKD-MLGOLLRUSA-N 2 1 305.853 2.962 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@@H](C)[C@@H]1CC[NH2+]C1 ZINC000423067135 296374605 /nfs/dbraw/zinc/37/46/05/296374605.db2.gz YOCANYLBCWKOOD-WDEREUQCSA-N 2 1 313.239 2.545 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423064870 296374334 /nfs/dbraw/zinc/37/43/34/296374334.db2.gz SHMVDDHGECCJTF-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000159221237 197337151 /nfs/dbraw/zinc/33/71/51/197337151.db2.gz SDPPVEPTPPOLLR-AWEZNQCLSA-N 2 1 320.433 2.567 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCO3)CC1 ZINC000159221406 197336999 /nfs/dbraw/zinc/33/69/99/197336999.db2.gz SDPPVEPTPPOLLR-CQSZACIVSA-N 2 1 320.433 2.567 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423070904 296374989 /nfs/dbraw/zinc/37/49/89/296374989.db2.gz GXMWWHDANFKZRL-ISARSNTHSA-N 2 1 304.478 2.736 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)s1 ZINC000158949534 197312842 /nfs/dbraw/zinc/31/28/42/197312842.db2.gz CKGAGDXAKGEPLK-UKRRQHHQSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c(C)s1 ZINC000158949534 197312843 /nfs/dbraw/zinc/31/28/43/197312843.db2.gz CKGAGDXAKGEPLK-UKRRQHHQSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000158949534 197312846 /nfs/dbraw/zinc/31/28/46/197312846.db2.gz CKGAGDXAKGEPLK-UKRRQHHQSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c(C)s1 ZINC000158949534 197312848 /nfs/dbraw/zinc/31/28/48/197312848.db2.gz CKGAGDXAKGEPLK-UKRRQHHQSA-N 2 1 322.474 2.759 20 0 DFADMP C[C@](CO)(C[NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423079034 296376163 /nfs/dbraw/zinc/37/61/63/296376163.db2.gz PRWNVFNWQKTMOY-VAMGGRTRSA-N 2 1 310.441 2.962 20 0 DFADMP CCN(CC)[C@H](C)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423086671 296376720 /nfs/dbraw/zinc/37/67/20/296376720.db2.gz NRHKPEJDSIETJK-AYBZRNKSSA-N 2 1 317.477 2.562 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@H]2CN3CCC2CC3)cc1Cl ZINC000602748944 399554814 /nfs/dbraw/zinc/55/48/14/399554814.db2.gz QKWJTYLJUSYPHV-INIZCTEOSA-N 2 1 322.836 2.653 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CN3CCC2CC3)cc1Cl ZINC000602748944 399554819 /nfs/dbraw/zinc/55/48/19/399554819.db2.gz QKWJTYLJUSYPHV-INIZCTEOSA-N 2 1 322.836 2.653 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000158805727 197303091 /nfs/dbraw/zinc/30/30/91/197303091.db2.gz OBDXMFUWDWANDA-AWEZNQCLSA-N 2 1 324.490 2.615 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000423089997 296377126 /nfs/dbraw/zinc/37/71/26/296377126.db2.gz ULNLGGHADSAXKO-CQSZACIVSA-N 2 1 304.482 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCC[N@H+]1CCCC(C)(C)C1 ZINC000423089997 296377129 /nfs/dbraw/zinc/37/71/29/296377129.db2.gz ULNLGGHADSAXKO-CQSZACIVSA-N 2 1 304.482 2.621 20 0 DFADMP C[C@@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]1 ZINC000423082829 296376482 /nfs/dbraw/zinc/37/64/82/296376482.db2.gz XUTOALVHQXHYGK-YPMHNXCESA-N 2 1 317.355 2.599 20 0 DFADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423095437 296377388 /nfs/dbraw/zinc/37/73/88/296377388.db2.gz MDWQYOPKRWEVKN-WSIUPNEHSA-N 2 1 318.436 2.818 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616993727 399557812 /nfs/dbraw/zinc/55/78/12/399557812.db2.gz MFGQMLZPMKFOHM-WBVHZDCISA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616993727 399557815 /nfs/dbraw/zinc/55/78/15/399557815.db2.gz MFGQMLZPMKFOHM-WBVHZDCISA-N 2 1 317.477 2.526 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423099975 296378400 /nfs/dbraw/zinc/37/84/00/296378400.db2.gz GAYBOIPHENKINQ-MSOLQXFVSA-N 2 1 306.450 2.852 20 0 DFADMP C[N@H+]1CCCC[C@@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000624122949 399559890 /nfs/dbraw/zinc/55/98/90/399559890.db2.gz BNFPGPPSJSNZQU-WMLDXEAASA-N 2 1 316.424 2.960 20 0 DFADMP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423107773 296378998 /nfs/dbraw/zinc/37/89/98/296378998.db2.gz FDKMGEPTGYKNJZ-BYNSBNAKSA-N 2 1 302.409 2.559 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2occc2c1 ZINC000286475653 219010053 /nfs/dbraw/zinc/01/00/53/219010053.db2.gz LDAKOLJZCSOSSK-QGZVFWFLSA-N 2 1 302.418 2.759 20 0 DFADMP CSc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423112433 296379636 /nfs/dbraw/zinc/37/96/36/296379636.db2.gz XPAUGSCUSPKZJK-VNQPRFMTSA-N 2 1 324.465 2.794 20 0 DFADMP Clc1cc2c(s1)CC[C@@H]2N[C@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423119763 296380820 /nfs/dbraw/zinc/38/08/20/296380820.db2.gz DPQMYVGNBXERDR-SLEUVZQESA-N 2 1 312.866 2.745 20 0 DFADMP C[C@@H]([NH2+]C[C@H](CO)c1ccccc1Cl)c1c[nH+]ccc1N ZINC000423122941 296381172 /nfs/dbraw/zinc/38/11/72/296381172.db2.gz KHTSXCMTWWVIST-VXGBXAGGSA-N 2 1 305.809 2.574 20 0 DFADMP CC(C)Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423136788 296383011 /nfs/dbraw/zinc/38/30/11/296383011.db2.gz ZLILBXDAUICZMH-OTWHNJEPSA-N 2 1 303.494 2.957 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158541301 197282203 /nfs/dbraw/zinc/28/22/03/197282203.db2.gz NNVNLOFZJCVVNO-APWZRJJASA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158541301 197282205 /nfs/dbraw/zinc/28/22/05/197282205.db2.gz NNVNLOFZJCVVNO-APWZRJJASA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158541301 197282206 /nfs/dbraw/zinc/28/22/06/197282206.db2.gz NNVNLOFZJCVVNO-APWZRJJASA-N 2 1 318.461 2.880 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423139417 296383572 /nfs/dbraw/zinc/38/35/72/296383572.db2.gz ZWOLRPOWILRMDC-BHYGNILZSA-N 2 1 305.441 2.915 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184228523 296384699 /nfs/dbraw/zinc/38/46/99/296384699.db2.gz UZHNTXLMAYEALJ-MRXNPFEDSA-N 2 1 323.525 2.912 20 0 DFADMP CSc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)N(C)C)cc1 ZINC000423148587 296385055 /nfs/dbraw/zinc/38/50/55/296385055.db2.gz WBGDGHNJVBYFBV-IXEWLPCDSA-N 2 1 319.518 2.884 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000617009086 399569605 /nfs/dbraw/zinc/56/96/05/399569605.db2.gz RXLIVBNIKCZMFY-SJORKVTESA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617009086 399569606 /nfs/dbraw/zinc/56/96/06/399569606.db2.gz RXLIVBNIKCZMFY-SJORKVTESA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000617009086 399569609 /nfs/dbraw/zinc/56/96/09/399569609.db2.gz RXLIVBNIKCZMFY-SJORKVTESA-N 2 1 321.509 2.773 20 0 DFADMP FC(F)C1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423169305 296387595 /nfs/dbraw/zinc/38/75/95/296387595.db2.gz IYDJULCUVKMWTL-PCGVCOGMSA-N 2 1 302.409 2.557 20 0 DFADMP CC1(C)CCC[N@H+]1CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423169243 296387746 /nfs/dbraw/zinc/38/77/46/296387746.db2.gz VVIUBXAQFPMPKR-ZWKOTPCHSA-N 2 1 301.478 2.944 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423187307 296390025 /nfs/dbraw/zinc/39/00/25/296390025.db2.gz MIWMGQRSYAWSHM-HNNXBMFYSA-N 2 1 316.474 2.993 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2C(C)(C)C)o1 ZINC000617014403 399575883 /nfs/dbraw/zinc/57/58/83/399575883.db2.gz ITMCKVYQNXLMHN-AWEZNQCLSA-N 2 1 321.465 2.724 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2ccccc2Cl)[C@H](C)C1 ZINC000157603914 197200755 /nfs/dbraw/zinc/20/07/55/197200755.db2.gz ABAAWPQEFFGLFK-COXVUDFISA-N 2 1 310.869 2.867 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000423193658 296390711 /nfs/dbraw/zinc/39/07/11/296390711.db2.gz XSCXYPZNRQRLFJ-CEXWTWQISA-N 2 1 317.477 2.746 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423187576 296390118 /nfs/dbraw/zinc/39/01/18/296390118.db2.gz YGAZJNHPVUJOPH-INIZCTEOSA-N 3 1 319.493 2.939 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423202073 296391842 /nfs/dbraw/zinc/39/18/42/296391842.db2.gz ALFVMOLAEAORPP-KBPBESRZSA-N 2 1 320.433 2.731 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC(F)(F)F ZINC000423195895 296391155 /nfs/dbraw/zinc/39/11/55/296391155.db2.gz YIEHWWCFTLHHOA-FQUUOJAGSA-N 2 1 308.388 2.712 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CC(F)(F)F ZINC000423195897 296391203 /nfs/dbraw/zinc/39/12/03/296391203.db2.gz YIEHWWCFTLHHOA-REWJHTLYSA-N 2 1 308.388 2.712 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000423200068 296391995 /nfs/dbraw/zinc/39/19/95/296391995.db2.gz LPCUNLHMGKAZDC-CYBMUJFWSA-N 2 1 317.433 2.720 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCC2 ZINC000423202075 296392057 /nfs/dbraw/zinc/39/20/57/296392057.db2.gz ALFVMOLAEAORPP-UONOGXRCSA-N 2 1 320.433 2.731 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)Nc2cc(C)cc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000632150477 399584349 /nfs/dbraw/zinc/58/43/49/399584349.db2.gz FKWOSWAAEQAFMO-DLBZAZTESA-N 2 1 303.450 2.725 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC[C@H](C)[NH3+])c(Br)c1 ZINC000423222311 296393987 /nfs/dbraw/zinc/39/39/87/296393987.db2.gz AOPFOIXPHDWBBB-UWVGGRQHSA-N 2 1 301.228 2.846 20 0 DFADMP O[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000157228176 197172005 /nfs/dbraw/zinc/17/20/05/197172005.db2.gz GQCVCSUSTNDUSR-RBUKOAKNSA-N 2 1 302.462 2.540 20 0 DFADMP C[C@@](O)(C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000157216575 197170752 /nfs/dbraw/zinc/17/07/52/197170752.db2.gz AJDVLMPWAIUREP-RBUKOAKNSA-N 2 1 302.462 2.844 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423222579 296394285 /nfs/dbraw/zinc/39/42/85/296394285.db2.gz BSKCJKWOWMRRAI-QPUJVOFHSA-N 2 1 301.203 2.902 20 0 DFADMP CC(C)c1ccc([C@H]([NH3+])CN[C@@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000423238766 296395875 /nfs/dbraw/zinc/39/58/75/296395875.db2.gz JHKCIGJVCFAMEY-GDIGMMSISA-N 2 1 301.478 2.882 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000423235124 296395261 /nfs/dbraw/zinc/39/52/61/296395261.db2.gz GJLJCEYOUOJUAQ-NSISKUIASA-N 2 1 309.457 2.939 20 0 DFADMP Brc1cccc2c1C[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)CC2 ZINC000423242738 296396235 /nfs/dbraw/zinc/39/62/35/296396235.db2.gz VUMHVGYAHGFOBF-QWHCGFSZSA-N 2 1 309.251 2.648 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3ccc(OC)cc32)CC1 ZINC000159265414 285191965 /nfs/dbraw/zinc/19/19/65/285191965.db2.gz CQHLMTHBGCFNPZ-QGZVFWFLSA-N 2 1 304.434 2.983 20 0 DFADMP CC[NH2+]CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423246911 296396513 /nfs/dbraw/zinc/39/65/13/296396513.db2.gz ZXFLLLWFFDFQCI-SNVBAGLBSA-N 2 1 303.219 2.718 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423257765 296397431 /nfs/dbraw/zinc/39/74/31/296397431.db2.gz AESJLHYAXJAHQV-OAHLLOKOSA-N 2 1 311.420 2.897 20 0 DFADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423271870 296399314 /nfs/dbraw/zinc/39/93/14/296399314.db2.gz HQBXARULTFUHMF-OTYXRUKQSA-N 2 1 315.230 2.846 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000423265415 296398482 /nfs/dbraw/zinc/39/84/82/296398482.db2.gz QYWBCHQLFUASQL-RHSMWYFYSA-N 2 1 313.449 2.826 20 0 DFADMP CC[NH+](CC)CCN(Cc1cccs1)C(=O)[C@@H]1CCC[N@H+]1C ZINC000347845908 285203345 /nfs/dbraw/zinc/20/33/45/285203345.db2.gz KXXYQQRVQSVGLP-INIZCTEOSA-N 2 1 323.506 2.513 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423297538 296401902 /nfs/dbraw/zinc/40/19/02/296401902.db2.gz KSPIZEDVHSWUFZ-PRHODGIISA-N 2 1 301.203 2.760 20 0 DFADMP Cc1c([C@@H](C)[NH2+]CC2C[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423299468 296401947 /nfs/dbraw/zinc/40/19/47/296401947.db2.gz BUNRBDARZHTMHG-LLVKDONJSA-N 2 1 304.825 2.704 20 0 DFADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC[C@@H]2CCCCO2)c(F)c1 ZINC000423304526 296402588 /nfs/dbraw/zinc/40/25/88/296402588.db2.gz OKZPVOFIHHCHMO-CJNGLKHVSA-N 2 1 322.424 2.644 20 0 DFADMP COc1cc2c(cc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)OCO2 ZINC000332657143 533160946 /nfs/dbraw/zinc/16/09/46/533160946.db2.gz WDIGDSGMSKLLEO-UHFFFAOYSA-N 2 1 320.433 2.823 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCCO2 ZINC000423351386 296407336 /nfs/dbraw/zinc/40/73/36/296407336.db2.gz ZAHBLONKRDIELT-SJLPKXTDSA-N 2 1 304.434 2.888 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cc(Br)ccc1F ZINC000423346141 296407146 /nfs/dbraw/zinc/40/71/46/296407146.db2.gz PSLSQYZSARCOOS-ZJUUUORDSA-N 2 1 301.203 2.848 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)CCn1cc[nH+]c1C(C)C ZINC000347900450 285232772 /nfs/dbraw/zinc/23/27/72/285232772.db2.gz HJBIOZHEISNFGQ-UHFFFAOYSA-N 2 1 308.470 2.587 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc2c(c1)CCO2 ZINC000154835668 196996498 /nfs/dbraw/zinc/99/64/98/196996498.db2.gz BEDIOYHEDDSWJD-SFHVURJKSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC[NH2+]1 ZINC000423390504 296411825 /nfs/dbraw/zinc/41/18/25/296411825.db2.gz WFALQXGTOKQPJM-IIDMSEBBSA-N 2 1 310.445 2.980 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000347909920 285238706 /nfs/dbraw/zinc/23/87/06/285238706.db2.gz QVABUMAXJGNQPD-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000423403727 296413141 /nfs/dbraw/zinc/41/31/41/296413141.db2.gz XEIYJDQOVSKMDG-JMJZKYOTSA-N 2 1 316.218 2.904 20 0 DFADMP C[C@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297613776 227369824 /nfs/dbraw/zinc/36/98/24/227369824.db2.gz KSXRHGWXGBASAK-ACJLOTCBSA-N 2 1 306.425 2.854 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC(C)(C)C1 ZINC000359040431 285246775 /nfs/dbraw/zinc/24/67/75/285246775.db2.gz KYICQEAPEGMPJB-IAGOWNOFSA-N 2 1 323.525 2.687 20 0 DFADMP COC[C@]1(C[NH2+][C@H]2C[C@H](Oc3ccccc3)C2(C)C)CCC[NH2+]1 ZINC000423418070 296414867 /nfs/dbraw/zinc/41/48/67/296414867.db2.gz UDAQLXACZBIQLG-JENIJYKNSA-N 2 1 318.461 2.591 20 0 DFADMP COC(=O)c1oc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000602877034 399612702 /nfs/dbraw/zinc/61/27/02/399612702.db2.gz KHBSHCFTUYKMIY-CQSZACIVSA-N 2 1 320.433 2.853 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423502624 296422987 /nfs/dbraw/zinc/42/29/87/296422987.db2.gz FDQUBTBWTGEOQY-FZMZJTMJSA-N 2 1 302.340 2.735 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000120476546 195173947 /nfs/dbraw/zinc/17/39/47/195173947.db2.gz YQIUZQPPAAWUFD-QZWWFDLISA-N 2 1 312.523 2.751 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2sccc21 ZINC000305164722 285273773 /nfs/dbraw/zinc/27/37/73/285273773.db2.gz XYRCJSRUGYKQGB-GOEBONIOSA-N 2 1 308.491 2.952 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]CCC[NH2+]C1CC1)CCC2 ZINC000423572745 296430182 /nfs/dbraw/zinc/43/01/82/296430182.db2.gz YPUPNIWQTOAXNI-CQSZACIVSA-N 2 1 320.433 2.874 20 0 DFADMP C[C@H]([NH2+]Cc1ccc[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624259647 399619253 /nfs/dbraw/zinc/61/92/53/399619253.db2.gz SDAXIEUHMNEYIQ-MAUKXSAKSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc[nH]c1=O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624259646 399618896 /nfs/dbraw/zinc/61/88/96/399618896.db2.gz SDAXIEUHMNEYIQ-CRAIPNDOSA-N 2 1 311.429 2.787 20 0 DFADMP CC[N@@H+](Cc1cnn(C)c1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000289533740 221047046 /nfs/dbraw/zinc/04/70/46/221047046.db2.gz WGXRLTPXPSESST-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP FC(F)(F)C1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000624274322 399625169 /nfs/dbraw/zinc/62/51/69/399625169.db2.gz WLCYGXJPEIZUJN-AWEZNQCLSA-N 2 1 320.399 2.952 20 0 DFADMP CC[N@H+]1CCCN(c2nc3ccccc3n3cncc23)[C@@H](C)C1 ZINC000624273834 399625208 /nfs/dbraw/zinc/62/52/08/399625208.db2.gz KGDYZGADGNMUIG-AWEZNQCLSA-N 2 1 309.417 2.803 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289294 399627337 /nfs/dbraw/zinc/62/73/37/399627337.db2.gz ILQRRIZEZNHNKG-VCTAVGKDSA-N 2 1 317.260 2.957 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289294 399627340 /nfs/dbraw/zinc/62/73/40/399627340.db2.gz ILQRRIZEZNHNKG-VCTAVGKDSA-N 2 1 317.260 2.957 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289292 399627449 /nfs/dbraw/zinc/62/74/49/399627449.db2.gz ILQRRIZEZNHNKG-KMUNFCNLSA-N 2 1 317.260 2.957 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H](CCO)c1cc(Cl)cc(Cl)c1 ZINC000624289292 399627452 /nfs/dbraw/zinc/62/74/52/399627452.db2.gz ILQRRIZEZNHNKG-KMUNFCNLSA-N 2 1 317.260 2.957 20 0 DFADMP Cc1nc(C(C)(C)C)sc1[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629519494 399633373 /nfs/dbraw/zinc/63/33/73/399633373.db2.gz AJXZSAZOQMZKNJ-NSHDSACASA-N 2 1 311.495 2.908 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(-c2ccncc2)cc1 ZINC000629520323 399633425 /nfs/dbraw/zinc/63/34/25/399633425.db2.gz GHOHCWLSWVONKC-OAHLLOKOSA-N 2 1 311.429 2.907 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1OCC ZINC000629524419 399635292 /nfs/dbraw/zinc/63/52/92/399635292.db2.gz RIBCZFVZOBGICL-CQSZACIVSA-N 2 1 322.449 2.643 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccccc1C(F)(F)F ZINC000629524345 399635326 /nfs/dbraw/zinc/63/53/26/399635326.db2.gz OYNNYZNNRJBRLS-LLVKDONJSA-N 2 1 302.340 2.864 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000624311220 399635351 /nfs/dbraw/zinc/63/53/51/399635351.db2.gz VFMDSISFELJMOV-GDAAHCPNSA-N 2 1 302.462 2.912 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000289895612 221299576 /nfs/dbraw/zinc/29/95/76/221299576.db2.gz YCDRLHHBDYLNGG-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000629527541 399636302 /nfs/dbraw/zinc/63/63/02/399636302.db2.gz YDAGVOPUHIEAKP-OLPBJYBYSA-N 2 1 313.489 2.912 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000629526008 399636976 /nfs/dbraw/zinc/63/69/76/399636976.db2.gz IPKVTNVEGYHWRE-GDAAHCPNSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCc2cn[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000289971374 221351340 /nfs/dbraw/zinc/35/13/40/221351340.db2.gz JDLZRKZQDUXMME-QFBILLFUSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCc2cn[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000289971374 221351343 /nfs/dbraw/zinc/35/13/43/221351343.db2.gz JDLZRKZQDUXMME-QFBILLFUSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCc2cn[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000289971374 221351347 /nfs/dbraw/zinc/35/13/47/221351347.db2.gz JDLZRKZQDUXMME-QFBILLFUSA-N 2 1 312.461 2.937 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCc2cn[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000289971374 221351349 /nfs/dbraw/zinc/35/13/49/221351349.db2.gz JDLZRKZQDUXMME-QFBILLFUSA-N 2 1 312.461 2.937 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2CC[C@@H](C)[NH2+]C2)cc1OC ZINC000629542900 399641110 /nfs/dbraw/zinc/64/11/10/399641110.db2.gz OPQVZAHRVPJKLB-NYTXWWLZSA-N 2 1 306.450 2.926 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000348065808 285327365 /nfs/dbraw/zinc/32/73/65/285327365.db2.gz ALSGMRCBURHMSJ-LEWJYISDSA-N 2 1 322.452 2.901 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000348065808 285327372 /nfs/dbraw/zinc/32/73/72/285327372.db2.gz ALSGMRCBURHMSJ-LEWJYISDSA-N 2 1 322.452 2.901 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(Cl)cc2cccnc21 ZINC000629569157 399652671 /nfs/dbraw/zinc/65/26/71/399652671.db2.gz AMJDXWLLPAFNLD-UHFFFAOYSA-N 2 1 307.825 2.556 20 0 DFADMP C[N@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1Br ZINC000629579968 399653380 /nfs/dbraw/zinc/65/33/80/399653380.db2.gz ZNMHGZMFWHXZSC-UHFFFAOYSA-N 2 1 321.646 2.510 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)cc1Br ZINC000629579968 399653382 /nfs/dbraw/zinc/65/33/82/399653382.db2.gz ZNMHGZMFWHXZSC-UHFFFAOYSA-N 2 1 321.646 2.510 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@H]1CC=CCC1 ZINC000629596875 399660281 /nfs/dbraw/zinc/66/02/81/399660281.db2.gz BGPJWSABWFARNO-PKOBYXMFSA-N 2 1 302.462 2.815 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@H]1CC=CCC1 ZINC000629596875 399660287 /nfs/dbraw/zinc/66/02/87/399660287.db2.gz BGPJWSABWFARNO-PKOBYXMFSA-N 2 1 302.462 2.815 20 0 DFADMP C[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccc2ccccc2c1 ZINC000629548655 399643740 /nfs/dbraw/zinc/64/37/40/399643740.db2.gz RBUXGXDJKGDPOW-AUUYWEPGSA-N 2 1 321.428 2.817 20 0 DFADMP CC(C)C[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccs1 ZINC000629552477 399644953 /nfs/dbraw/zinc/64/49/53/399644953.db2.gz KMVZCBFWGZAHMP-CABCVRRESA-N 2 1 319.478 2.751 20 0 DFADMP CC(C)C[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000629552342 399645548 /nfs/dbraw/zinc/64/55/48/399645548.db2.gz HVMMXFIQBKOXFO-ROUUACIJSA-N 2 1 313.449 2.690 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629563740 399650430 /nfs/dbraw/zinc/65/04/30/399650430.db2.gz QNFAWRZAQVGZFX-RRFJBIMHSA-N 2 1 316.367 2.833 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1)c1ccccc1 ZINC000629563740 399650433 /nfs/dbraw/zinc/65/04/33/399650433.db2.gz QNFAWRZAQVGZFX-RRFJBIMHSA-N 2 1 316.367 2.833 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(OC(F)F)cc1 ZINC000629571210 399652493 /nfs/dbraw/zinc/65/24/93/399652493.db2.gz JJHOZLCNHLPRPR-GFCCVEGCSA-N 2 1 302.365 2.517 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C ZINC000629656800 399677535 /nfs/dbraw/zinc/67/75/35/399677535.db2.gz QYAMAOWBDJOFHJ-ZIAGYGMSSA-N 2 1 316.367 2.963 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C ZINC000629656800 399677538 /nfs/dbraw/zinc/67/75/38/399677538.db2.gz QYAMAOWBDJOFHJ-ZIAGYGMSSA-N 2 1 316.367 2.963 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)s2)cn1 ZINC000629664697 399681886 /nfs/dbraw/zinc/68/18/86/399681886.db2.gz IZPXDAZLJJRLTO-CALCHBBNSA-N 2 1 316.474 2.580 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3C[C@@]4(C)C[NH2+]C[C@@]4(C)C3)s2)cn1 ZINC000629664697 399681892 /nfs/dbraw/zinc/68/18/92/399681892.db2.gz IZPXDAZLJJRLTO-CALCHBBNSA-N 2 1 316.474 2.580 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)o1 ZINC000603109681 399683853 /nfs/dbraw/zinc/68/38/53/399683853.db2.gz DJAZTZYYBSFVJK-UHFFFAOYSA-N 2 1 308.422 2.764 20 0 DFADMP Cn1nnc2ccc(-c3ccc(C[N@@H+]4CCC[C@H]4C[NH3+])cc3)cc21 ZINC000629708795 399697457 /nfs/dbraw/zinc/69/74/57/399697457.db2.gz AZQKZTQXHAOWPF-KRWDZBQOSA-N 2 1 321.428 2.558 20 0 DFADMP Cn1nnc2ccc(-c3ccc(C[N@H+]4CCC[C@H]4C[NH3+])cc3)cc21 ZINC000629708795 399697459 /nfs/dbraw/zinc/69/74/59/399697459.db2.gz AZQKZTQXHAOWPF-KRWDZBQOSA-N 2 1 321.428 2.558 20 0 DFADMP C[NH2+]CCc1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000629735163 399707777 /nfs/dbraw/zinc/70/77/77/399707777.db2.gz KVZIDSIHRLZPLU-UHFFFAOYSA-N 2 1 323.484 2.863 20 0 DFADMP C[NH+](C)C(C)(C)CN[C@@H]1C[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167807 542535090 /nfs/dbraw/zinc/53/50/90/542535090.db2.gz HKLUDJISYMEITG-KRWDZBQOSA-N 2 1 303.494 2.969 20 0 DFADMP C[NH+](C)C(C)(C)CN[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000090167807 542535094 /nfs/dbraw/zinc/53/50/94/542535094.db2.gz HKLUDJISYMEITG-KRWDZBQOSA-N 2 1 303.494 2.969 20 0 DFADMP CCC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093508499 542554187 /nfs/dbraw/zinc/55/41/87/542554187.db2.gz KHUMMVYADCPADE-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CCC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000093508499 542554191 /nfs/dbraw/zinc/55/41/91/542554191.db2.gz KHUMMVYADCPADE-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(C2CC2)c1 ZINC000617502659 399719005 /nfs/dbraw/zinc/71/90/05/399719005.db2.gz XWTJZJXGDUAMFN-HNNXBMFYSA-N 2 1 317.477 2.566 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1cccc(C2CC2)c1 ZINC000617502659 399719009 /nfs/dbraw/zinc/71/90/09/399719009.db2.gz XWTJZJXGDUAMFN-HNNXBMFYSA-N 2 1 317.477 2.566 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000617502596 399719339 /nfs/dbraw/zinc/71/93/39/399719339.db2.gz VOYSDNQAUQXONA-RYQLBKOJSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[C@H]1C1CC1 ZINC000617502596 399719344 /nfs/dbraw/zinc/71/93/44/399719344.db2.gz VOYSDNQAUQXONA-RYQLBKOJSA-N 2 1 323.525 2.591 20 0 DFADMP CC[C@@](C)(CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348102000 285349916 /nfs/dbraw/zinc/34/99/16/285349916.db2.gz KFLCNGUXLPDWHJ-IPQPSQTFSA-N 2 1 302.462 2.933 20 0 DFADMP COc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC(F)F ZINC000120975750 195275234 /nfs/dbraw/zinc/27/52/34/195275234.db2.gz HBCOMMFHMDNZFA-ZDUSSCGKSA-N 2 1 314.376 2.680 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC(F)F ZINC000120975750 195275236 /nfs/dbraw/zinc/27/52/36/195275236.db2.gz HBCOMMFHMDNZFA-ZDUSSCGKSA-N 2 1 314.376 2.680 20 0 DFADMP COc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)ccc1OC(F)F ZINC000120975750 195275239 /nfs/dbraw/zinc/27/52/39/195275239.db2.gz HBCOMMFHMDNZFA-ZDUSSCGKSA-N 2 1 314.376 2.680 20 0 DFADMP COc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)ccc1OC(F)F ZINC000120975750 195275241 /nfs/dbraw/zinc/27/52/41/195275241.db2.gz HBCOMMFHMDNZFA-ZDUSSCGKSA-N 2 1 314.376 2.680 20 0 DFADMP Cn1cccc1C(=O)C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121624640 195319676 /nfs/dbraw/zinc/31/96/76/195319676.db2.gz VODPHMFTPPZXAX-UHFFFAOYSA-N 2 1 317.477 2.796 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cncc(OC)n1 ZINC000626063948 399742430 /nfs/dbraw/zinc/74/24/30/399742430.db2.gz WIQIUHMRSOTROD-UHFFFAOYSA-N 2 1 314.433 2.569 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cncc(OC)n1 ZINC000626063948 399742432 /nfs/dbraw/zinc/74/24/32/399742432.db2.gz WIQIUHMRSOTROD-UHFFFAOYSA-N 2 1 314.433 2.569 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](OC)[C@H]1CCOC1 ZINC000626063937 399742664 /nfs/dbraw/zinc/74/26/64/399742664.db2.gz WAFIXKXYQHIJGN-RBUKOAKNSA-N 2 1 320.477 2.622 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2cccc(Cl)c2)CC1 ZINC000297568904 533663028 /nfs/dbraw/zinc/66/30/28/533663028.db2.gz CRDDMKMEQWDGSA-OAHLLOKOSA-N 2 1 324.896 2.907 20 0 DFADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000626113729 399759027 /nfs/dbraw/zinc/75/90/27/399759027.db2.gz CUFDLSAURHGTAG-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626113729 399759028 /nfs/dbraw/zinc/75/90/28/399759028.db2.gz CUFDLSAURHGTAG-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626113729 399759030 /nfs/dbraw/zinc/75/90/30/399759030.db2.gz CUFDLSAURHGTAG-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626113729 399759032 /nfs/dbraw/zinc/75/90/32/399759032.db2.gz CUFDLSAURHGTAG-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000626113729 399759034 /nfs/dbraw/zinc/75/90/34/399759034.db2.gz CUFDLSAURHGTAG-SFHVURJKSA-N 2 1 302.462 2.745 20 0 DFADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000626113728 399759062 /nfs/dbraw/zinc/75/90/62/399759062.db2.gz CUFDLSAURHGTAG-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626113728 399759064 /nfs/dbraw/zinc/75/90/64/399759064.db2.gz CUFDLSAURHGTAG-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC2(CC2)CC1 ZINC000626113728 399759065 /nfs/dbraw/zinc/75/90/65/399759065.db2.gz CUFDLSAURHGTAG-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000626113728 399759067 /nfs/dbraw/zinc/75/90/67/399759067.db2.gz CUFDLSAURHGTAG-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC2(CC2)CC1 ZINC000626113728 399759068 /nfs/dbraw/zinc/75/90/68/399759068.db2.gz CUFDLSAURHGTAG-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@]1(O)CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000129581919 542624755 /nfs/dbraw/zinc/62/47/55/542624755.db2.gz NIPSZQXSNYAIFB-LJQANCHMSA-N 2 1 318.461 2.508 20 0 DFADMP CC1(C)COCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000130914750 542633663 /nfs/dbraw/zinc/63/36/63/542633663.db2.gz XMBWTIDQQHHYDB-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP CC1(C)COCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000130914750 542633667 /nfs/dbraw/zinc/63/36/67/542633667.db2.gz XMBWTIDQQHHYDB-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP C[N@@H+](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CCC1 ZINC000629975931 399777299 /nfs/dbraw/zinc/77/72/99/399777299.db2.gz BZJPJOCDQDKDAX-UHFFFAOYSA-N 2 1 315.461 2.748 20 0 DFADMP CC1CC[NH+](C2CCC(NC(=O)C[N@@H+](C)C3CCC3)CC2)CC1 ZINC000629974210 399777716 /nfs/dbraw/zinc/77/77/16/399777716.db2.gz MMJVTPZVWZIYSU-UHFFFAOYSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH+](C)C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629991241 399784450 /nfs/dbraw/zinc/78/44/50/399784450.db2.gz RVUYCHLYROSXIO-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP c1cc2c(cccc2C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)[nH]1 ZINC000603517288 399786080 /nfs/dbraw/zinc/78/60/80/399786080.db2.gz NIHZKOHZZGLWFT-QGZVFWFLSA-N 2 1 313.445 2.901 20 0 DFADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000292767215 131674956 /nfs/dbraw/zinc/67/49/56/131674956.db2.gz JIYOLOLUJZRZOI-IEBWSBKVSA-N 2 1 320.452 2.537 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1 ZINC000617752634 399789619 /nfs/dbraw/zinc/78/96/19/399789619.db2.gz REVZYCGFIOVEGT-MRXNPFEDSA-N 2 1 319.493 2.989 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166242108 542749941 /nfs/dbraw/zinc/74/99/41/542749941.db2.gz QCJUJZXPGSIQFJ-DLBZAZTESA-N 2 1 302.466 2.644 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166242108 542749944 /nfs/dbraw/zinc/74/99/44/542749944.db2.gz QCJUJZXPGSIQFJ-DLBZAZTESA-N 2 1 302.466 2.644 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CC(C)(C)c2ccccc2)CC1 ZINC000180093978 542783020 /nfs/dbraw/zinc/78/30/20/542783020.db2.gz LMKVWAGODFFQJU-QGZVFWFLSA-N 2 1 318.505 2.989 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)CC[N@H+]1C ZINC000181009922 542787438 /nfs/dbraw/zinc/78/74/38/542787438.db2.gz NGMXWDDMOXEJFW-UONOGXRCSA-N 2 1 316.474 2.820 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)C1CCC([NH3+])CC1)c1ccccc1Cl ZINC000621488028 399813435 /nfs/dbraw/zinc/81/34/35/399813435.db2.gz OCYLYCJPHMBBFD-SEEARECTSA-N 2 1 323.868 2.576 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000221148232 542881045 /nfs/dbraw/zinc/88/10/45/542881045.db2.gz YLECOSBATQIGQL-CYBMUJFWSA-N 2 1 310.825 2.685 20 0 DFADMP C[N@H+]1CCC[C@@H]1CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000221148232 542881047 /nfs/dbraw/zinc/88/10/47/542881047.db2.gz YLECOSBATQIGQL-CYBMUJFWSA-N 2 1 310.825 2.685 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)cc1)C(C)C ZINC000236995157 542899258 /nfs/dbraw/zinc/89/92/58/542899258.db2.gz JIZGPQLHRKSIIQ-GOSISDBHSA-N 2 1 317.477 2.789 20 0 DFADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccc(Cl)c2)[C@H]1C[NH3+] ZINC000252212157 542946662 /nfs/dbraw/zinc/94/66/62/542946662.db2.gz WQUFBGNZZREOSG-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)[C@H]1C[NH3+] ZINC000252212157 542946664 /nfs/dbraw/zinc/94/66/64/542946664.db2.gz WQUFBGNZZREOSG-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251889402 542946747 /nfs/dbraw/zinc/94/67/47/542946747.db2.gz VVZJIJSEHUDKRY-GXTWGEPZSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444793 542982250 /nfs/dbraw/zinc/98/22/50/542982250.db2.gz HUYOHVUEWMIQKR-KDOFPFPSSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444793 542982254 /nfs/dbraw/zinc/98/22/54/542982254.db2.gz HUYOHVUEWMIQKR-KDOFPFPSSA-N 2 1 306.425 2.904 20 0 DFADMP O[C@@H]1CCCC[C@H]1[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285531104 542998216 /nfs/dbraw/zinc/99/82/16/542998216.db2.gz KWYUFRWKRCDSKE-VAMGGRTRSA-N 2 1 314.473 2.888 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285531104 542998219 /nfs/dbraw/zinc/99/82/19/542998219.db2.gz KWYUFRWKRCDSKE-VAMGGRTRSA-N 2 1 314.473 2.888 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285531104 542998223 /nfs/dbraw/zinc/99/82/23/542998223.db2.gz KWYUFRWKRCDSKE-VAMGGRTRSA-N 2 1 314.473 2.888 20 0 DFADMP c1ccc(C[NH+]2CCN(Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000305568032 543058728 /nfs/dbraw/zinc/05/87/28/543058728.db2.gz TYJKNUWKIKMMTK-UHFFFAOYSA-N 2 1 321.468 2.650 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000322151128 543088776 /nfs/dbraw/zinc/08/87/76/543088776.db2.gz ZCLXOXOBEUCOSH-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP CC(C)CN(C(=O)CC[N@H+]1CCCC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000339272519 543142866 /nfs/dbraw/zinc/14/28/66/543142866.db2.gz DTORIVHKEZNBDP-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC[NH+]2CCCC[C@H]2C)C1 ZINC000339263971 543142918 /nfs/dbraw/zinc/14/29/18/543142918.db2.gz IBNURPYGIDJFRD-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[N@@H+]2CCCC[C@H]2C)C1 ZINC000339263971 543142921 /nfs/dbraw/zinc/14/29/21/543142921.db2.gz IBNURPYGIDJFRD-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000339263971 543142922 /nfs/dbraw/zinc/14/29/22/543142922.db2.gz IBNURPYGIDJFRD-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)N1CCc2ccccc2C1 ZINC000339072324 543139974 /nfs/dbraw/zinc/13/99/74/543139974.db2.gz WKAFWRKEDBBEJF-AHRSYUTCSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339072324 543139977 /nfs/dbraw/zinc/13/99/77/543139977.db2.gz WKAFWRKEDBBEJF-AHRSYUTCSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000339072324 543139978 /nfs/dbraw/zinc/13/99/78/543139978.db2.gz WKAFWRKEDBBEJF-AHRSYUTCSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000339072324 543139981 /nfs/dbraw/zinc/13/99/81/543139981.db2.gz WKAFWRKEDBBEJF-AHRSYUTCSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000339072324 543139983 /nfs/dbraw/zinc/13/99/83/543139983.db2.gz WKAFWRKEDBBEJF-AHRSYUTCSA-N 2 1 313.489 2.650 20 0 DFADMP c1ccc(CCOCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339070198 543140434 /nfs/dbraw/zinc/14/04/34/543140434.db2.gz ZKGXFBCVNYCIGR-MOPGFXCFSA-N 2 1 302.462 2.852 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068372 543140619 /nfs/dbraw/zinc/14/06/19/543140619.db2.gz GFCQQTNPFOFRMU-OAGGEKHMSA-N 2 1 304.434 2.679 20 0 DFADMP O[C@@H](C[NH2+]Cc1ccc(C2CCC2)cc1)C[NH+]1CCCCC1 ZINC000339200432 543141279 /nfs/dbraw/zinc/14/12/79/543141279.db2.gz MRIYXHLOWAUBGO-IBGZPJMESA-N 2 1 302.462 2.891 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339250995 543141785 /nfs/dbraw/zinc/14/17/85/543141785.db2.gz QANLEWJZVZFRLY-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339250995 543141789 /nfs/dbraw/zinc/14/17/89/543141789.db2.gz QANLEWJZVZFRLY-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339250995 543141793 /nfs/dbraw/zinc/14/17/93/543141793.db2.gz QANLEWJZVZFRLY-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000339233462 543141815 /nfs/dbraw/zinc/14/18/15/543141815.db2.gz CNRFVRSXMOVXOI-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339828169 543147067 /nfs/dbraw/zinc/14/70/67/543147067.db2.gz SBRVWIZBNRDAEY-INIZCTEOSA-N 2 1 314.433 2.719 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCOC2CCOCC2)C1 ZINC000625174146 399857642 /nfs/dbraw/zinc/85/76/42/399857642.db2.gz WDPMKMGUOJPHCX-ZWKOTPCHSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCOC2CCOCC2)C1 ZINC000625174146 399857647 /nfs/dbraw/zinc/85/76/47/399857647.db2.gz WDPMKMGUOJPHCX-ZWKOTPCHSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000625174146 399857650 /nfs/dbraw/zinc/85/76/50/399857650.db2.gz WDPMKMGUOJPHCX-ZWKOTPCHSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000625174146 399857654 /nfs/dbraw/zinc/85/76/54/399857654.db2.gz WDPMKMGUOJPHCX-ZWKOTPCHSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOC2CCOCC2)C1 ZINC000625174142 399857676 /nfs/dbraw/zinc/85/76/76/399857676.db2.gz WDPMKMGUOJPHCX-MSOLQXFVSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOC2CCOCC2)C1 ZINC000625174142 399857679 /nfs/dbraw/zinc/85/76/79/399857679.db2.gz WDPMKMGUOJPHCX-MSOLQXFVSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000625174142 399857681 /nfs/dbraw/zinc/85/76/81/399857681.db2.gz WDPMKMGUOJPHCX-MSOLQXFVSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000625174142 399857682 /nfs/dbraw/zinc/85/76/82/399857682.db2.gz WDPMKMGUOJPHCX-MSOLQXFVSA-N 2 1 324.509 2.768 20 0 DFADMP CCc1cc(NC[C@@H]([NH2+][C@H](C)CC)c2ccco2)nc(C)[nH+]1 ZINC000343265346 543166562 /nfs/dbraw/zinc/16/65/62/543166562.db2.gz BUXYFRLDFNGAHQ-IUODEOHRSA-N 2 1 302.422 2.904 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CC2)C1 ZINC000348385285 543184759 /nfs/dbraw/zinc/18/47/59/543184759.db2.gz WAOXBLBNPUPJMZ-QYZOEREBSA-N 2 1 300.446 2.531 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)C[NH+](CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000353415565 543235183 /nfs/dbraw/zinc/23/51/83/543235183.db2.gz KRVVZALZJHARPZ-FUHWJXTLSA-N 2 1 319.493 2.744 20 0 DFADMP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000353676224 543237825 /nfs/dbraw/zinc/23/78/25/543237825.db2.gz WCGTVOYODJAQSU-GBESFXJTSA-N 2 1 302.462 2.777 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CO)Cc2ccccc2)[C@@H](C)C1 ZINC000358057146 543265654 /nfs/dbraw/zinc/26/56/54/543265654.db2.gz PFGZRODBBOXSJG-WDSOQIARSA-N 2 1 304.478 2.548 20 0 DFADMP COCC(C)(C)[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000425280046 296563618 /nfs/dbraw/zinc/56/36/18/296563618.db2.gz NDQGYBWTDKQICI-UHFFFAOYSA-N 2 1 317.408 2.921 20 0 DFADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000361154841 543280262 /nfs/dbraw/zinc/28/02/62/543280262.db2.gz QWDVAUAIQPOBPC-LNLFQRSKSA-N 2 1 318.509 2.612 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000379629327 543297508 /nfs/dbraw/zinc/29/75/08/543297508.db2.gz OSWMFUCJLZEVBX-QRVBRYPASA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000379629327 543297509 /nfs/dbraw/zinc/29/75/09/543297509.db2.gz OSWMFUCJLZEVBX-QRVBRYPASA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](NC[C@@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000379629329 543297533 /nfs/dbraw/zinc/29/75/33/543297533.db2.gz OSWMFUCJLZEVBX-QYZOEREBSA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCCN2Cc2ccccc2)C1 ZINC000379629329 543297534 /nfs/dbraw/zinc/29/75/34/543297534.db2.gz OSWMFUCJLZEVBX-QYZOEREBSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379659411 543297544 /nfs/dbraw/zinc/29/75/44/543297544.db2.gz ZVQFQEOSGLUAPX-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP CCn1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000383737204 543299436 /nfs/dbraw/zinc/29/94/36/543299436.db2.gz XKYPJBSXJPJKFT-YZGWKJHDSA-N 2 1 324.472 2.903 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]2CCCC[C@@H]21 ZINC000378904322 543296859 /nfs/dbraw/zinc/29/68/59/543296859.db2.gz JOIVJEWISLZXNZ-VJANTYMQSA-N 2 1 302.462 2.572 20 0 DFADMP O[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000378881134 543296869 /nfs/dbraw/zinc/29/68/69/543296869.db2.gz GVBDJWROHNUQPF-RTBURBONSA-N 2 1 302.462 2.587 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000378903931 543296948 /nfs/dbraw/zinc/29/69/48/543296948.db2.gz YDHJRXOGGUEBHV-IACUBPJLSA-N 2 1 300.406 2.546 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158486015 145218837 /nfs/dbraw/zinc/21/88/37/145218837.db2.gz SAVIXTQJOQDHDB-JZXOWHBKSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)[C@H](C)C1 ZINC000163882717 145223141 /nfs/dbraw/zinc/22/31/41/145223141.db2.gz XIVJWKAKKXBLTP-CRAIPNDOSA-N 2 1 315.461 2.633 20 0 DFADMP C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000166237793 145234834 /nfs/dbraw/zinc/23/48/34/145234834.db2.gz YPQCOXGKVRZONJ-BEFAXECRSA-N 2 1 319.493 2.618 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000168325088 145241639 /nfs/dbraw/zinc/24/16/39/145241639.db2.gz ZPLVHLKWCRNHIY-HNNXBMFYSA-N 2 1 306.454 2.518 20 0 DFADMP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000402806727 543313216 /nfs/dbraw/zinc/31/32/16/543313216.db2.gz CDADULMQMHIYGE-HKUYNNGSSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000402806727 543313219 /nfs/dbraw/zinc/31/32/19/543313219.db2.gz CDADULMQMHIYGE-HKUYNNGSSA-N 2 1 324.472 2.970 20 0 DFADMP O[C@@H]1[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1(F)F ZINC000414305723 543325742 /nfs/dbraw/zinc/32/57/42/543325742.db2.gz SBFQDJRUTYMUKU-DLBZAZTESA-N 2 1 324.415 2.789 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[C@H]1c1ccccc1 ZINC000414300043 543324840 /nfs/dbraw/zinc/32/48/40/543324840.db2.gz LHYRUKAGYQPZSX-NCOADZHNSA-N 2 1 324.415 2.960 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[C@H]1c1ccccc1 ZINC000414300043 543324844 /nfs/dbraw/zinc/32/48/44/543324844.db2.gz LHYRUKAGYQPZSX-NCOADZHNSA-N 2 1 324.415 2.960 20 0 DFADMP [NH3+]CC1(CCNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000630515985 399897546 /nfs/dbraw/zinc/89/75/46/399897546.db2.gz BCLBQNYUIJZORF-UHFFFAOYSA-N 2 1 309.417 2.538 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)c1 ZINC000631110748 399982495 /nfs/dbraw/zinc/98/24/95/399982495.db2.gz KCGDNPJYJUGWMT-HNNXBMFYSA-N 2 1 303.450 2.999 20 0 DFADMP C[C@@H](C(=O)N1CCC(C)([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000633943132 399963293 /nfs/dbraw/zinc/96/32/93/399963293.db2.gz CPHZAKVURRZEAO-BBWFWOEESA-N 2 1 321.509 2.725 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccncc1Br ZINC000631047236 399968818 /nfs/dbraw/zinc/96/88/18/399968818.db2.gz QUJCSIAELPBMIA-UHFFFAOYSA-N 2 1 309.211 2.529 20 0 DFADMP CCCN(C(=O)c1ccc(-c2c[nH]cn2)cc1)[C@H]1CC[N@@H+](C)C1 ZINC000633552370 399917034 /nfs/dbraw/zinc/91/70/34/399917034.db2.gz OLBZXELVYKWFFQ-INIZCTEOSA-N 2 1 312.417 2.633 20 0 DFADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)c1C ZINC000631099093 399980464 /nfs/dbraw/zinc/98/04/64/399980464.db2.gz UQRFQSLDCMQPRU-INIZCTEOSA-N 2 1 305.466 2.856 20 0 DFADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)c1C ZINC000631099093 399980465 /nfs/dbraw/zinc/98/04/65/399980465.db2.gz UQRFQSLDCMQPRU-INIZCTEOSA-N 2 1 305.466 2.856 20 0 DFADMP CCn1nccc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195323 400000768 /nfs/dbraw/zinc/00/07/68/400000768.db2.gz FEBVXIWLSALHAZ-SJLPKXTDSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1nccc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195323 400000769 /nfs/dbraw/zinc/00/07/69/400000769.db2.gz FEBVXIWLSALHAZ-SJLPKXTDSA-N 2 1 312.461 2.761 20 0 DFADMP Cc1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cnn1C ZINC000631196186 400001650 /nfs/dbraw/zinc/00/16/50/400001650.db2.gz OHYXLRCQMHCIHM-BEFAXECRSA-N 2 1 312.461 2.586 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000631215976 400005574 /nfs/dbraw/zinc/00/55/74/400005574.db2.gz IMSSMJBTUHLEQD-KBMXLJTQSA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000631215976 400005576 /nfs/dbraw/zinc/00/55/76/400005576.db2.gz IMSSMJBTUHLEQD-KBMXLJTQSA-N 2 1 312.404 2.645 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000628279852 400012852 /nfs/dbraw/zinc/01/28/52/400012852.db2.gz CQFAQSIMWZMEFC-MRXNPFEDSA-N 2 1 310.445 2.794 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(OC)c1OC ZINC000631604713 400057365 /nfs/dbraw/zinc/05/73/65/400057365.db2.gz DFGCJFGQRHUDBC-UKRRQHHQSA-N 2 1 315.417 2.956 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H]1CCCOCC1 ZINC000631665768 400064024 /nfs/dbraw/zinc/06/40/24/400064024.db2.gz XQTMSZSQPQTOHT-QRQLOZEOSA-N 2 1 302.462 2.913 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000631670992 400064565 /nfs/dbraw/zinc/06/45/65/400064565.db2.gz UCFHRNNTWGQBQZ-ZCHBJMIBSA-N 2 1 300.446 2.543 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000631670991 400064571 /nfs/dbraw/zinc/06/45/71/400064571.db2.gz UCFHRNNTWGQBQZ-DQCOHUIHSA-N 2 1 300.446 2.543 20 0 DFADMP CC(C)[C@H]([NH2+]C1CC[NH+](C(C)(C)C)CC1)[C@H](O)C(F)(F)F ZINC000631714243 400069276 /nfs/dbraw/zinc/06/92/76/400069276.db2.gz DXDDUQGDAUOVTP-STQMWFEESA-N 2 1 310.404 2.787 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)[C@@H](O)C(F)(F)F ZINC000631718778 400069979 /nfs/dbraw/zinc/06/99/79/400069979.db2.gz KEJOMWXMDSYMRM-RJZRQDKASA-N 2 1 322.415 2.931 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@H]2CCC[C@H]21 ZINC000631732584 400070847 /nfs/dbraw/zinc/07/08/47/400070847.db2.gz LLLKLUYDZGNJTF-CEXWTWQISA-N 2 1 300.446 2.722 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC000631790269 400075208 /nfs/dbraw/zinc/07/52/08/400075208.db2.gz KVQLIDLJJNVKKV-QGZVFWFLSA-N 2 1 305.441 2.821 20 0 DFADMP C[N@H+]1CC[C@@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC000631790269 400075209 /nfs/dbraw/zinc/07/52/09/400075209.db2.gz KVQLIDLJJNVKKV-QGZVFWFLSA-N 2 1 305.441 2.821 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CC[C@@H]1C(F)(F)F ZINC000631830108 400078336 /nfs/dbraw/zinc/07/83/36/400078336.db2.gz KDOMFJATXNUPGQ-AXFHLTTASA-N 2 1 300.315 2.881 20 0 DFADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000631832548 400078474 /nfs/dbraw/zinc/07/84/74/400078474.db2.gz IFJSTAPEFULDOA-HNNXBMFYSA-N 2 1 323.868 2.550 20 0 DFADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000631832548 400078475 /nfs/dbraw/zinc/07/84/75/400078475.db2.gz IFJSTAPEFULDOA-HNNXBMFYSA-N 2 1 323.868 2.550 20 0 DFADMP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000631836163 400078707 /nfs/dbraw/zinc/07/87/07/400078707.db2.gz OVOWEDBFPVHIFQ-AWEZNQCLSA-N 2 1 320.330 2.957 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000631836163 400078708 /nfs/dbraw/zinc/07/87/08/400078708.db2.gz OVOWEDBFPVHIFQ-AWEZNQCLSA-N 2 1 320.330 2.957 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@H]1C[NH3+] ZINC000631839626 400078839 /nfs/dbraw/zinc/07/88/39/400078839.db2.gz IQJIPHINFOBDGT-DOTOQJQBSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631841192 400078994 /nfs/dbraw/zinc/07/89/94/400078994.db2.gz ZLVAUZXYOYIHHS-DGCLKSJQSA-N 2 1 302.340 2.654 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@@H]1C[NH3+] ZINC000631840040 400079050 /nfs/dbraw/zinc/07/90/50/400079050.db2.gz OVDPKKSGQUZIOI-AAEUAGOBSA-N 2 1 302.340 2.654 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C[C@@H]1C[NH3+] ZINC000631839629 400079078 /nfs/dbraw/zinc/07/90/78/400079078.db2.gz IQJIPHINFOBDGT-WBVHZDCISA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237378447 146042585 /nfs/dbraw/zinc/04/25/85/146042585.db2.gz MSJCBFGLZRXRNE-NVXWUHKLSA-N 2 1 317.477 2.625 20 0 DFADMP O=C(Nc1ccc(-c2ncc[nH]2)cc1)[C@H]1Cc2ccccc2CN1 ZINC000237994117 146057477 /nfs/dbraw/zinc/05/74/77/146057477.db2.gz WRYPBCALGXFKJH-QGZVFWFLSA-N 2 1 318.380 2.730 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000245422038 146068620 /nfs/dbraw/zinc/06/86/20/146068620.db2.gz IKNPVGIQDQMLQA-HOCLYGCPSA-N 2 1 314.433 2.899 20 0 DFADMP Cc1nccn1CCCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245614666 146088575 /nfs/dbraw/zinc/08/85/75/146088575.db2.gz MIYALVSXHXSHMJ-DLBZAZTESA-N 2 1 323.506 2.958 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245614666 146088577 /nfs/dbraw/zinc/08/85/77/146088577.db2.gz MIYALVSXHXSHMJ-DLBZAZTESA-N 2 1 323.506 2.958 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000245614666 146088579 /nfs/dbraw/zinc/08/85/79/146088579.db2.gz MIYALVSXHXSHMJ-DLBZAZTESA-N 2 1 323.506 2.958 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([C@@H]3C[C@@H]3C)o2)CC1 ZINC000245745783 146099733 /nfs/dbraw/zinc/09/97/33/146099733.db2.gz MRYSHNDXXNEZOT-RLFYNMQTSA-N 2 1 320.477 2.928 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCCO2)C3)cc1 ZINC000245784370 146102927 /nfs/dbraw/zinc/10/29/27/146102927.db2.gz ZIVJNZVFJWCHRS-OKYOBFRVSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCn2ccnc2)C1 ZINC000245854919 146105339 /nfs/dbraw/zinc/10/53/39/146105339.db2.gz HDJXZCYHHVSADQ-MSOLQXFVSA-N 2 1 304.482 2.860 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CCCn2ccnc2)C1 ZINC000245854919 146105345 /nfs/dbraw/zinc/10/53/45/146105345.db2.gz HDJXZCYHHVSADQ-MSOLQXFVSA-N 3 1 304.482 2.860 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(CCCn2ccnc2)C1 ZINC000245854919 146105348 /nfs/dbraw/zinc/10/53/48/146105348.db2.gz HDJXZCYHHVSADQ-MSOLQXFVSA-N 3 1 304.482 2.860 20 0 DFADMP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000247085078 146159793 /nfs/dbraw/zinc/15/97/93/146159793.db2.gz RDXPZZADBCRWDS-BBWFWOEESA-N 2 1 317.477 2.594 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000247090518 146160330 /nfs/dbraw/zinc/16/03/30/146160330.db2.gz NZDDAHPSMDWEQE-KEYYUXOJSA-N 2 1 323.431 2.863 20 0 DFADMP FC(F)COCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249032361 146182603 /nfs/dbraw/zinc/18/26/03/146182603.db2.gz LTLXIWDBRLAGHY-GVDBMIGSSA-N 2 1 324.415 2.768 20 0 DFADMP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249183565 146191541 /nfs/dbraw/zinc/19/15/41/146191541.db2.gz JKESBSOVORLJMF-FCGDIQPGSA-N 2 1 302.462 2.648 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)CC2)cc1 ZINC000249838370 146207506 /nfs/dbraw/zinc/20/75/06/146207506.db2.gz FRBVEIGJGUBCGX-XUVXKRRUSA-N 2 1 314.473 2.851 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552918 146239227 /nfs/dbraw/zinc/23/92/27/146239227.db2.gz SBQIGKBVABRWSI-DSLXNQLJSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552918 146239231 /nfs/dbraw/zinc/23/92/31/146239231.db2.gz SBQIGKBVABRWSI-DSLXNQLJSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@H]1C[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552918 146239234 /nfs/dbraw/zinc/23/92/34/146239234.db2.gz SBQIGKBVABRWSI-DSLXNQLJSA-N 2 1 301.478 2.614 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000261579652 146242961 /nfs/dbraw/zinc/24/29/61/146242961.db2.gz PNODUDDHDAOCMZ-KCQAQPDRSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1Br ZINC000261579652 146242963 /nfs/dbraw/zinc/24/29/63/146242963.db2.gz PNODUDDHDAOCMZ-KCQAQPDRSA-N 2 1 309.251 2.927 20 0 DFADMP CC(C)(C)c1ccc(C[NH+]2CCN([C@@H]3CC[NH2+]C3)CC2)s1 ZINC000261643060 146252814 /nfs/dbraw/zinc/25/28/14/146252814.db2.gz IVHUTVOXOQXNMN-CQSZACIVSA-N 2 1 307.507 2.525 20 0 DFADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261641487 146252830 /nfs/dbraw/zinc/25/28/30/146252830.db2.gz IQFQZJLRZGBPPL-GXTWGEPZSA-N 2 1 311.832 2.520 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccncc2Cl)C[C@H]1c1ccccc1 ZINC000261673467 146258259 /nfs/dbraw/zinc/25/82/59/146258259.db2.gz HTFQOBDWQZEPAS-CVEARBPZSA-N 2 1 301.821 2.909 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccncc2Cl)C[C@H]1c1ccccc1 ZINC000261673467 146258262 /nfs/dbraw/zinc/25/82/62/146258262.db2.gz HTFQOBDWQZEPAS-CVEARBPZSA-N 2 1 301.821 2.909 20 0 DFADMP C[C@@H](c1nc(C2(N)CCCC2)no1)N1CCc2ccccc2C1 ZINC000261677636 146258615 /nfs/dbraw/zinc/25/86/15/146258615.db2.gz GQVVYRJZPGWQLR-ZDUSSCGKSA-N 2 1 312.417 2.917 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261691681 146260931 /nfs/dbraw/zinc/26/09/31/146260931.db2.gz JAHXMQWGWOVYRG-WDYCEAGBSA-N 2 1 323.440 2.688 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261691681 146260934 /nfs/dbraw/zinc/26/09/34/146260934.db2.gz JAHXMQWGWOVYRG-WDYCEAGBSA-N 2 1 323.440 2.688 20 0 DFADMP CCc1cnc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261747107 146269246 /nfs/dbraw/zinc/26/92/46/146269246.db2.gz PUZOZDZRIIZHAI-ZBFHGGJFSA-N 2 1 301.459 2.880 20 0 DFADMP CCc1cnc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)s1 ZINC000261747107 146269248 /nfs/dbraw/zinc/26/92/48/146269248.db2.gz PUZOZDZRIIZHAI-ZBFHGGJFSA-N 2 1 301.459 2.880 20 0 DFADMP O=C(C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000261751425 146270789 /nfs/dbraw/zinc/27/07/89/146270789.db2.gz CEQCDPYLOXJQDZ-YOEHRIQHSA-N 2 1 304.409 2.863 20 0 DFADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261772108 146273531 /nfs/dbraw/zinc/27/35/31/146273531.db2.gz WEQJVOCDZYSSLM-IAGOWNOFSA-N 2 1 307.869 2.771 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC(F)F ZINC000261819801 146282798 /nfs/dbraw/zinc/28/27/98/146282798.db2.gz AOISRCBRMJAKAM-YPMHNXCESA-N 2 1 314.376 2.856 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)ccc1OC(F)F ZINC000261819801 146282801 /nfs/dbraw/zinc/28/28/01/146282801.db2.gz AOISRCBRMJAKAM-YPMHNXCESA-N 2 1 314.376 2.856 20 0 DFADMP CC[NH+](CC)[C@H](c1nc(C[C@H](C)[NH2+]C)no1)c1ccccc1 ZINC000261822410 146283328 /nfs/dbraw/zinc/28/33/28/146283328.db2.gz QONYTQNGBPSVSH-BBRMVZONSA-N 2 1 302.422 2.651 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261863932 146290687 /nfs/dbraw/zinc/29/06/87/146290687.db2.gz KOLNAQVSFYVDOO-JQHSSLGASA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000261863932 146290693 /nfs/dbraw/zinc/29/06/93/146290693.db2.gz KOLNAQVSFYVDOO-JQHSSLGASA-N 2 1 315.461 2.808 20 0 DFADMP c1ccc(CC[N@H+](Cc2cccnc2)CC2CC[NH2+]CC2)nc1 ZINC000261929421 146304457 /nfs/dbraw/zinc/30/44/57/146304457.db2.gz LHUWPFAKJIFDSJ-UHFFFAOYSA-N 2 1 310.445 2.521 20 0 DFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000261929633 146304606 /nfs/dbraw/zinc/30/46/06/146304606.db2.gz LKJRHZVGGIBABO-IAGOWNOFSA-N 3 1 312.461 2.809 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000261941274 146305660 /nfs/dbraw/zinc/30/56/60/146305660.db2.gz LMLHYNNKHFUFFJ-GFCCVEGCSA-N 2 1 320.824 2.951 20 0 DFADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261937555 146306208 /nfs/dbraw/zinc/30/62/08/146306208.db2.gz KREYULMORYTLHH-PBWFPOADSA-N 2 1 322.836 2.826 20 0 DFADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261937555 146306209 /nfs/dbraw/zinc/30/62/09/146306209.db2.gz KREYULMORYTLHH-PBWFPOADSA-N 2 1 322.836 2.826 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261942419 146306963 /nfs/dbraw/zinc/30/69/63/146306963.db2.gz UXUKOFFOAYIZNY-UAGQMJEPSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261942419 146306964 /nfs/dbraw/zinc/30/69/64/146306964.db2.gz UXUKOFFOAYIZNY-UAGQMJEPSA-N 2 1 315.461 2.808 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000261946292 146307233 /nfs/dbraw/zinc/30/72/33/146307233.db2.gz MHRNOWKGAWSSGG-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@@H]21 ZINC000261952953 146308574 /nfs/dbraw/zinc/30/85/74/146308574.db2.gz OEJHMGSSAFOABE-KGYLQXTDSA-N 2 1 305.422 2.995 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@@H]21 ZINC000261952953 146308577 /nfs/dbraw/zinc/30/85/77/146308577.db2.gz OEJHMGSSAFOABE-KGYLQXTDSA-N 2 1 305.422 2.995 20 0 DFADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261970219 146310944 /nfs/dbraw/zinc/31/09/44/146310944.db2.gz QKKNZHAKUXRVPR-BZUAXINKSA-N 2 1 324.852 2.595 20 0 DFADMP c1nc(-c2ccncc2)sc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261980341 146315099 /nfs/dbraw/zinc/31/50/99/146315099.db2.gz JCSGUUYVMONWDN-UHFFFAOYSA-N 2 1 314.458 2.781 20 0 DFADMP Cc1ccc2c(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)cc(=O)oc2c1 ZINC000261983851 146315997 /nfs/dbraw/zinc/31/59/97/146315997.db2.gz RTMHQVYLDUDYHF-KGLIPLIRSA-N 2 1 300.402 2.661 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@H](C)C(=O)Nc2ccccc2Cl)CC1 ZINC000261980759 146316047 /nfs/dbraw/zinc/31/60/47/146316047.db2.gz HXHQLPBBFFSPJQ-CYBMUJFWSA-N 2 1 323.868 2.989 20 0 DFADMP CCOc1cc2c(cc1OCC)C[N@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261988743 146316793 /nfs/dbraw/zinc/31/67/93/146316793.db2.gz SDZPGIZEDDMUET-HNNXBMFYSA-N 2 1 318.461 2.842 20 0 DFADMP CCOc1cc2c(cc1OCC)C[N@@H+](C[C@H]1CCC[NH2+]C1)CC2 ZINC000261988743 146316795 /nfs/dbraw/zinc/31/67/95/146316795.db2.gz SDZPGIZEDDMUET-HNNXBMFYSA-N 2 1 318.461 2.842 20 0 DFADMP c1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262005679 146320493 /nfs/dbraw/zinc/32/04/93/146320493.db2.gz VAKWXGMIMNWHKU-GVDBMIGSSA-N 2 1 300.402 2.680 20 0 DFADMP Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000262007023 146321439 /nfs/dbraw/zinc/32/14/39/146321439.db2.gz VEPGBCILIRFUFP-MCIONIFRSA-N 2 1 314.882 2.691 20 0 DFADMP Cn1ccnc1C[N@@H+](CCC(C)(C)C)[C@@H]1CC12CC[NH2+]CC2 ZINC000262018927 146323740 /nfs/dbraw/zinc/32/37/40/146323740.db2.gz VZJPYLYFEBINOK-OAHLLOKOSA-N 2 1 304.482 2.800 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@H]2CC[NH3+])ccc1OC(F)F ZINC000262020018 146324110 /nfs/dbraw/zinc/32/41/10/146324110.db2.gz XNGPTQRSQVOBGJ-ZDUSSCGKSA-N 2 1 314.376 3.000 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262109059 146334564 /nfs/dbraw/zinc/33/45/64/146334564.db2.gz JPXFHTGGTBOALP-NWANDNLSSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262109059 146334566 /nfs/dbraw/zinc/33/45/66/146334566.db2.gz JPXFHTGGTBOALP-NWANDNLSSA-N 2 1 321.852 2.646 20 0 DFADMP CCC[N@H+](C)[C@@H](CNC1=[NH+]CCCN1)c1ccc(Cl)cc1 ZINC000262158451 146339706 /nfs/dbraw/zinc/33/97/06/146339706.db2.gz SFSYHAVUGBJSCW-HNNXBMFYSA-N 2 1 308.857 2.662 20 0 DFADMP CCC[N@@H+](C)[C@@H](CNC1=[NH+]CCCN1)c1ccc(Cl)cc1 ZINC000262158451 146339710 /nfs/dbraw/zinc/33/97/10/146339710.db2.gz SFSYHAVUGBJSCW-HNNXBMFYSA-N 2 1 308.857 2.662 20 0 DFADMP Cc1ccc2c(C[N@H+](C)[C@H]3CCC[NH2+]CC3)cc(=O)oc2c1 ZINC000262409269 146357721 /nfs/dbraw/zinc/35/77/21/146357721.db2.gz CXLPNIRXXRTDGL-HNNXBMFYSA-N 2 1 300.402 2.675 20 0 DFADMP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+]1CCCC[C@H]1C ZINC000262437190 146360208 /nfs/dbraw/zinc/36/02/08/146360208.db2.gz ULSUREPAFGNAGS-XKTBZMPXSA-N 2 1 321.509 2.519 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2scnc2C2CC2)CCCO1 ZINC000487177939 543400950 /nfs/dbraw/zinc/40/09/50/543400950.db2.gz FCEAQGDKPHJEQQ-ZDUSSCGKSA-N 2 1 309.479 2.611 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2scnc2C2CC2)CCCO1 ZINC000487177939 543400952 /nfs/dbraw/zinc/40/09/52/543400952.db2.gz FCEAQGDKPHJEQQ-ZDUSSCGKSA-N 2 1 309.479 2.611 20 0 DFADMP CC[C@@H]1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CCO1 ZINC000354509586 147062563 /nfs/dbraw/zinc/06/25/63/147062563.db2.gz YCWAAGYZGDZUKX-QRXAFDDPSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@@H]1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCO1 ZINC000354509586 147062565 /nfs/dbraw/zinc/06/25/65/147062565.db2.gz YCWAAGYZGDZUKX-QRXAFDDPSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@@H]1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000354509586 147062567 /nfs/dbraw/zinc/06/25/67/147062567.db2.gz YCWAAGYZGDZUKX-QRXAFDDPSA-N 2 1 324.509 2.765 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354632310 147097950 /nfs/dbraw/zinc/09/79/50/147097950.db2.gz LYTHRPVNRUVCSL-SQNIBIBYSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000354661320 147108659 /nfs/dbraw/zinc/10/86/59/147108659.db2.gz NTXMIMSYLQDTHO-RCCFBDPRSA-N 2 1 323.525 2.876 20 0 DFADMP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354736546 147134043 /nfs/dbraw/zinc/13/40/43/147134043.db2.gz SOHVPCPWOQZONQ-KURKYZTESA-N 2 1 323.525 2.734 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CC[C@@H](C)O3)C1)CCCC2 ZINC000355277346 147248705 /nfs/dbraw/zinc/24/87/05/147248705.db2.gz OEAABRYFYNVDDP-BMFZPTHFSA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H]3CC[C@@H](C)O3)C1)CCCC2 ZINC000355277346 147248710 /nfs/dbraw/zinc/24/87/10/147248710.db2.gz OEAABRYFYNVDDP-BMFZPTHFSA-N 2 1 303.450 2.885 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc3c(cc2OC)OCO3)[C@@H](C)C1 ZINC000355359638 147282785 /nfs/dbraw/zinc/28/27/85/147282785.db2.gz SDHSMLZFPLIANQ-DZGCQCFKSA-N 2 1 320.433 2.586 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC000355410761 147305950 /nfs/dbraw/zinc/30/59/50/147305950.db2.gz KPQJWCSDRDEWPA-HZPDHXFCSA-N 2 1 317.477 2.627 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000350146231 286010573 /nfs/dbraw/zinc/01/05/73/286010573.db2.gz KGELQDIFDALPLT-UHFFFAOYSA-N 2 1 301.356 2.874 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H]2CCCc3ccccc32)CC1 ZINC000357635819 148065166 /nfs/dbraw/zinc/06/51/66/148065166.db2.gz KCSSPJLOYWXYSE-DNVCBOLYSA-N 2 1 302.462 2.841 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357787214 148122925 /nfs/dbraw/zinc/12/29/25/148122925.db2.gz GKPGXPCSVBVQEB-LMMKCTJWSA-N 2 1 321.509 2.632 20 0 DFADMP CSc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887591 543488849 /nfs/dbraw/zinc/48/88/49/543488849.db2.gz PEFXATZKAATOIR-YOEHRIQHSA-N 2 1 306.475 2.861 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358013160 148212168 /nfs/dbraw/zinc/21/21/68/148212168.db2.gz JASNKDNSSPTCMH-CJNGLKHVSA-N 2 1 323.868 2.989 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2ccc(F)cc2Cl)CC1 ZINC000358142844 148258055 /nfs/dbraw/zinc/25/80/55/148258055.db2.gz RTQGAHLEGFGBJU-UHFFFAOYSA-N 2 1 314.832 2.722 20 0 DFADMP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358151087 148261222 /nfs/dbraw/zinc/26/12/22/148261222.db2.gz BZUQSCBQZIAZOJ-KBPBESRZSA-N 2 1 305.491 2.781 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C[C@H](C)O)[C@@H](C)C1 ZINC000358168856 148267895 /nfs/dbraw/zinc/26/78/95/148267895.db2.gz OBTFXQPAMJNVRQ-ULQDDVLXSA-N 2 1 314.514 2.510 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358168954 148268130 /nfs/dbraw/zinc/26/81/30/148268130.db2.gz OLPBYULNXZBRGM-OLZOCXBDSA-N 2 1 322.403 2.904 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358193216 148279615 /nfs/dbraw/zinc/27/96/15/148279615.db2.gz AQOUGPCMNOSZPQ-GJZGRUSLSA-N 2 1 317.433 2.883 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccncc2C)[C@@H](C)C1 ZINC000358253401 148306079 /nfs/dbraw/zinc/30/60/79/148306079.db2.gz OZNJBOKZOKVNSD-PKOBYXMFSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503342 148380728 /nfs/dbraw/zinc/38/07/28/148380728.db2.gz FKGXOQALENEZAC-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503342 148380731 /nfs/dbraw/zinc/38/07/31/148380731.db2.gz FKGXOQALENEZAC-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358517910 148381487 /nfs/dbraw/zinc/38/14/87/148381487.db2.gz QEWVWUMYQPNHHW-UHFFFAOYSA-N 2 1 321.852 2.662 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(Cl)c1 ZINC000358517910 148381489 /nfs/dbraw/zinc/38/14/89/148381489.db2.gz QEWVWUMYQPNHHW-UHFFFAOYSA-N 2 1 321.852 2.662 20 0 DFADMP CCCc1csc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)n1 ZINC000426045398 296611227 /nfs/dbraw/zinc/61/12/27/296611227.db2.gz OGHHDDMAUWZSIR-UHFFFAOYSA-N 2 1 323.506 2.640 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H](C)O[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000360454923 148851407 /nfs/dbraw/zinc/85/14/07/148851407.db2.gz NDNZYNYNDPGOAM-FSDCSDTHSA-N 2 1 318.465 2.608 20 0 DFADMP CSCC[C@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000350724285 286077653 /nfs/dbraw/zinc/07/76/53/286077653.db2.gz JSSPLGMCLVXPHX-ZDUSSCGKSA-N 2 1 306.435 2.551 20 0 DFADMP Cc1cc(N2CC[NH+](Cc3cnn(C)c3)CC2)c2ccccc2[nH+]1 ZINC000361009287 149007482 /nfs/dbraw/zinc/00/74/82/149007482.db2.gz JKQXCKGDFGQWEH-UHFFFAOYSA-N 2 1 321.428 2.599 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C3CC3)C2)[C@H](C)C1 ZINC000361025607 149011245 /nfs/dbraw/zinc/01/12/45/149011245.db2.gz NLHPXRXFTMBPMY-YSHGAJCASA-N 2 1 324.509 2.671 20 0 DFADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccc(F)cc1 ZINC000361145445 149039435 /nfs/dbraw/zinc/03/94/35/149039435.db2.gz SDJQLKYWEPSLPV-NXHRZFHOSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccc(F)cc1 ZINC000361145445 149039437 /nfs/dbraw/zinc/03/94/37/149039437.db2.gz SDJQLKYWEPSLPV-NXHRZFHOSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccc(F)cc1 ZINC000361145445 149039438 /nfs/dbraw/zinc/03/94/38/149039438.db2.gz SDJQLKYWEPSLPV-NXHRZFHOSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccc(F)cc1 ZINC000361145445 149039440 /nfs/dbraw/zinc/03/94/40/149039440.db2.gz SDJQLKYWEPSLPV-NXHRZFHOSA-N 2 1 316.420 2.815 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000361173862 149046438 /nfs/dbraw/zinc/04/64/38/149046438.db2.gz NNPJNPDBFDQSTG-SJORKVTESA-N 2 1 309.498 2.522 20 0 DFADMP CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000361184867 149050075 /nfs/dbraw/zinc/05/00/75/149050075.db2.gz YRONTCHUSUWNBH-ZACQAIPSSA-N 2 1 323.525 2.768 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1cc(C[NH+](C)C)ccc1C ZINC000361194958 149051507 /nfs/dbraw/zinc/05/15/07/149051507.db2.gz DWZOSZMIGABSGN-QGZVFWFLSA-N 2 1 303.450 2.870 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000361227493 149060049 /nfs/dbraw/zinc/06/00/49/149060049.db2.gz GDJOCBNUPABGLH-GDBMZVCRSA-N 2 1 320.477 2.911 20 0 DFADMP CSC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000361240719 149063511 /nfs/dbraw/zinc/06/35/11/149063511.db2.gz QNRWSIHZMYYKSZ-RRFJBIMHSA-N 2 1 300.512 2.607 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000361345601 149091607 /nfs/dbraw/zinc/09/16/07/149091607.db2.gz JRSUBZSCKJKVDL-CQSZACIVSA-N 2 1 323.506 2.650 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000361392907 149103905 /nfs/dbraw/zinc/10/39/05/149103905.db2.gz VBSZRTMKXQRWAQ-WMZOPIPTSA-N 2 1 309.413 2.768 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361460325 149121974 /nfs/dbraw/zinc/12/19/74/149121974.db2.gz UZDOXDJRHNGOCT-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361460325 149121976 /nfs/dbraw/zinc/12/19/76/149121976.db2.gz UZDOXDJRHNGOCT-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP CC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC1CCC1 ZINC000361480934 149126645 /nfs/dbraw/zinc/12/66/45/149126645.db2.gz HWZWADDZJYYDTK-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@H](C)C2)cn1 ZINC000361562207 149149089 /nfs/dbraw/zinc/14/90/89/149149089.db2.gz APJGCWBZNUHCDH-WBVHZDCISA-N 2 1 304.482 2.842 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC(C)(C)[NH3+])cc1F ZINC000361730053 149203408 /nfs/dbraw/zinc/20/34/08/149203408.db2.gz VRTITHVGMUCMAV-NSHDSACASA-N 2 1 318.396 2.624 20 0 DFADMP c1ccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ncccn2)CC3)cc1 ZINC000361865395 149241202 /nfs/dbraw/zinc/24/12/02/149241202.db2.gz MPYZKQCPDLAASG-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ncccn2)CC3)cc1 ZINC000361865395 149241204 /nfs/dbraw/zinc/24/12/04/149241204.db2.gz MPYZKQCPDLAASG-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000361921182 149255338 /nfs/dbraw/zinc/25/53/38/149255338.db2.gz AHIDWPAUQKMCLS-KMFMINBZSA-N 2 1 307.869 2.849 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCN(c2cccc(Cl)c2)C1 ZINC000361921182 149255340 /nfs/dbraw/zinc/25/53/40/149255340.db2.gz AHIDWPAUQKMCLS-KMFMINBZSA-N 2 1 307.869 2.849 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCS2)[C@H](C)C1 ZINC000362011431 149275444 /nfs/dbraw/zinc/27/54/44/149275444.db2.gz DOWKVMPGITVFEL-OAGGEKHMSA-N 2 1 300.512 2.609 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350920259 286100078 /nfs/dbraw/zinc/10/00/78/286100078.db2.gz PXNYSDUXWZMHEU-UHFFFAOYSA-N 2 1 313.445 2.933 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccccn4)cc3)C[C@H]12 ZINC000351472613 286128628 /nfs/dbraw/zinc/12/86/28/286128628.db2.gz BERNSEDTYUPQIG-FFZOFVMBSA-N 2 1 323.440 2.830 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351477992 286130181 /nfs/dbraw/zinc/13/01/81/286130181.db2.gz OINGVJIKHORXHX-KCMWZYNZSA-N 2 1 323.440 2.836 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351477992 286130183 /nfs/dbraw/zinc/13/01/83/286130183.db2.gz OINGVJIKHORXHX-KCMWZYNZSA-N 2 1 323.440 2.836 20 0 DFADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000351480451 286131136 /nfs/dbraw/zinc/13/11/36/286131136.db2.gz UXXBNEXJOUIAPQ-XKQJLSEDSA-N 2 1 313.401 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000351480451 286131138 /nfs/dbraw/zinc/13/11/38/286131138.db2.gz UXXBNEXJOUIAPQ-XKQJLSEDSA-N 2 1 313.401 2.519 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3c2OCCCO3)CC1 ZINC000351488542 286133333 /nfs/dbraw/zinc/13/33/33/286133333.db2.gz APNQQJVZCIBIKM-UHFFFAOYSA-N 2 1 316.445 2.908 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351490667 286133895 /nfs/dbraw/zinc/13/38/95/286133895.db2.gz IRVAPTMMMHOHFZ-VIRABCJISA-N 2 1 321.852 2.645 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351490667 286133899 /nfs/dbraw/zinc/13/38/99/286133899.db2.gz IRVAPTMMMHOHFZ-VIRABCJISA-N 2 1 321.852 2.645 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1 ZINC000351492063 286134257 /nfs/dbraw/zinc/13/42/57/286134257.db2.gz KLTATWFUUWOFRA-UHFFFAOYSA-N 2 1 319.449 2.538 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1)C1CC1 ZINC000351490778 286134417 /nfs/dbraw/zinc/13/44/17/286134417.db2.gz LOOXSAVMQPNCSY-SFHVURJKSA-N 2 1 320.452 2.535 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1)C1CC1 ZINC000351490778 286134419 /nfs/dbraw/zinc/13/44/19/286134419.db2.gz LOOXSAVMQPNCSY-SFHVURJKSA-N 2 1 320.452 2.535 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1)C1CC1 ZINC000351490777 286134473 /nfs/dbraw/zinc/13/44/73/286134473.db2.gz LOOXSAVMQPNCSY-GOSISDBHSA-N 2 1 320.452 2.535 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1)C1CC1 ZINC000351490777 286134474 /nfs/dbraw/zinc/13/44/74/286134474.db2.gz LOOXSAVMQPNCSY-GOSISDBHSA-N 2 1 320.452 2.535 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+](Cc1ccccc1)CC(C)(C)C)C1CC1 ZINC000351497149 286135709 /nfs/dbraw/zinc/13/57/09/286135709.db2.gz SYBPPTCCKOQGSB-SFHVURJKSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+](Cc1ccccc1)CC(C)(C)C)C1CC1 ZINC000351497149 286135710 /nfs/dbraw/zinc/13/57/10/286135710.db2.gz SYBPPTCCKOQGSB-SFHVURJKSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](Cc1ccccc1)CC(C)(C)C)C1CC1 ZINC000351497149 286135712 /nfs/dbraw/zinc/13/57/12/286135712.db2.gz SYBPPTCCKOQGSB-SFHVURJKSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)C)C1CC1 ZINC000351497149 286135714 /nfs/dbraw/zinc/13/57/14/286135714.db2.gz SYBPPTCCKOQGSB-SFHVURJKSA-N 2 1 304.478 2.990 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000351498876 286136348 /nfs/dbraw/zinc/13/63/48/286136348.db2.gz WKSYVHPHRDOOKJ-WMHQRMGPSA-N 2 1 312.417 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000351498876 286136350 /nfs/dbraw/zinc/13/63/50/286136350.db2.gz WKSYVHPHRDOOKJ-WMHQRMGPSA-N 2 1 312.417 2.775 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1)C1CC1 ZINC000351538093 286147103 /nfs/dbraw/zinc/14/71/03/286147103.db2.gz QXCKCMUUDNBDQY-PMACEKPBSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1)C1CC1 ZINC000351538093 286147107 /nfs/dbraw/zinc/14/71/07/286147107.db2.gz QXCKCMUUDNBDQY-PMACEKPBSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1)C1CC1 ZINC000351538093 286147110 /nfs/dbraw/zinc/14/71/10/286147110.db2.gz QXCKCMUUDNBDQY-PMACEKPBSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1)C1CC1 ZINC000351538093 286147111 /nfs/dbraw/zinc/14/71/11/286147111.db2.gz QXCKCMUUDNBDQY-PMACEKPBSA-N 2 1 316.489 2.929 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1)NC1CCCC1 ZINC000371197437 150001180 /nfs/dbraw/zinc/00/11/80/150001180.db2.gz WPUIBRJGVKYQJL-QGZVFWFLSA-N 2 1 321.509 2.633 20 0 DFADMP CCCOC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329129 150023690 /nfs/dbraw/zinc/02/36/90/150023690.db2.gz DRAZETUECXLUPE-LSDHHAIUSA-N 2 1 308.466 2.524 20 0 DFADMP CCCOC(=O)[C@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329129 150023694 /nfs/dbraw/zinc/02/36/94/150023694.db2.gz DRAZETUECXLUPE-LSDHHAIUSA-N 2 1 308.466 2.524 20 0 DFADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1C ZINC000371470424 150051516 /nfs/dbraw/zinc/05/15/16/150051516.db2.gz LIELCTHPYSIOKH-IPMKNSEASA-N 2 1 302.462 2.987 20 0 DFADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000371470421 150051835 /nfs/dbraw/zinc/05/18/35/150051835.db2.gz LIELCTHPYSIOKH-CEXWTWQISA-N 2 1 302.462 2.987 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372048001 150129592 /nfs/dbraw/zinc/12/95/92/150129592.db2.gz WGLSTDNYGRUNSL-XWTMOSNGSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000372048001 150129594 /nfs/dbraw/zinc/12/95/94/150129594.db2.gz WGLSTDNYGRUNSL-XWTMOSNGSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@]1(C)CCCS1 ZINC000372061005 150130724 /nfs/dbraw/zinc/13/07/24/150130724.db2.gz YQIUZQPPAAWUFD-TWMKSMIVSA-N 2 1 312.523 2.751 20 0 DFADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000372994680 150213734 /nfs/dbraw/zinc/21/37/34/150213734.db2.gz FKSWATHDAISDIG-XLAORIBOSA-N 2 1 324.509 2.813 20 0 DFADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCC1 ZINC000372994680 150213736 /nfs/dbraw/zinc/21/37/36/150213736.db2.gz FKSWATHDAISDIG-XLAORIBOSA-N 2 1 324.509 2.813 20 0 DFADMP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)ccc2O1 ZINC000373063864 150224715 /nfs/dbraw/zinc/22/47/15/150224715.db2.gz QWYNCZCVENBZEQ-OAHLLOKOSA-N 2 1 311.429 2.949 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000373114805 150233313 /nfs/dbraw/zinc/23/33/13/150233313.db2.gz DODTWMOJPNMLPG-SJLPKXTDSA-N 2 1 319.449 2.667 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)c1 ZINC000373114805 150233316 /nfs/dbraw/zinc/23/33/16/150233316.db2.gz DODTWMOJPNMLPG-SJLPKXTDSA-N 2 1 319.449 2.667 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000374075378 150303578 /nfs/dbraw/zinc/30/35/78/150303578.db2.gz SPLFRYIMDJTTMZ-UHFFFAOYSA-N 2 1 322.474 2.843 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374173284 150317047 /nfs/dbraw/zinc/31/70/47/150317047.db2.gz MVEGEHCMUWLQOP-SPUZQDLCSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@H](C)CC[C@@H]1O ZINC000374173284 150317049 /nfs/dbraw/zinc/31/70/49/150317049.db2.gz MVEGEHCMUWLQOP-SPUZQDLCSA-N 2 1 305.466 2.843 20 0 DFADMP O=C(CCC1CC[NH2+]CC1)N[C@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000374312697 150342198 /nfs/dbraw/zinc/34/21/98/150342198.db2.gz WKOJDKWPPHLCQK-KRWDZBQOSA-N 2 1 321.509 2.680 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374428848 150366812 /nfs/dbraw/zinc/36/68/12/150366812.db2.gz NHOSWESXIZROEN-QXAKKESOSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000374428848 150366814 /nfs/dbraw/zinc/36/68/14/150366814.db2.gz NHOSWESXIZROEN-QXAKKESOSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1CCOCC[NH+]1CCCCCC[N@@H+]1CCOCC[C@H]1C ZINC000374992366 150380258 /nfs/dbraw/zinc/38/02/58/150380258.db2.gz XKFPFCWVUXIULL-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP C[N@H+](C[C@@H](O)CNC1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000351719721 286202064 /nfs/dbraw/zinc/20/20/64/286202064.db2.gz SGYDUMIPGVOCGE-KRWDZBQOSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@@H+](C[C@@H](O)CNC1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000351719721 286202066 /nfs/dbraw/zinc/20/20/66/286202066.db2.gz SGYDUMIPGVOCGE-KRWDZBQOSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000351719721 286202067 /nfs/dbraw/zinc/20/20/67/286202067.db2.gz SGYDUMIPGVOCGE-KRWDZBQOSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(c2ccc(F)cc2)CCCC1)C1CC1 ZINC000351719721 286202069 /nfs/dbraw/zinc/20/20/69/286202069.db2.gz SGYDUMIPGVOCGE-KRWDZBQOSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722095 286202551 /nfs/dbraw/zinc/20/25/51/286202551.db2.gz WERISGAREPLMFH-ZWKOTPCHSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722095 286202553 /nfs/dbraw/zinc/20/25/53/286202553.db2.gz WERISGAREPLMFH-ZWKOTPCHSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722095 286202554 /nfs/dbraw/zinc/20/25/54/286202554.db2.gz WERISGAREPLMFH-ZWKOTPCHSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C(C)(C)C1)C1CC1 ZINC000351722095 286202556 /nfs/dbraw/zinc/20/25/56/286202556.db2.gz WERISGAREPLMFH-ZWKOTPCHSA-N 2 1 302.462 2.567 20 0 DFADMP CC[C@@H](C)CCC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000351805892 286222889 /nfs/dbraw/zinc/22/28/89/286222889.db2.gz DCEIUHOCQSGYGR-SJORKVTESA-N 2 1 311.514 2.687 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000351886387 286237402 /nfs/dbraw/zinc/23/74/02/286237402.db2.gz JMTNQCWCLDRHRE-SJORKVTESA-N 2 1 311.514 2.878 20 0 DFADMP C[C@@H]1CCC[C@@](CNC(=O)CC[C@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000352215473 286319919 /nfs/dbraw/zinc/31/99/19/286319919.db2.gz DUXYFLDPZVHVKI-ZHALLVOQSA-N 2 1 323.525 2.878 20 0 DFADMP CCOC(=O)C(C)(C)C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000352203555 286318184 /nfs/dbraw/zinc/31/81/84/286318184.db2.gz SUGPBIVEPQLZMB-UHFFFAOYSA-N 2 1 321.465 2.883 20 0 DFADMP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352364545 286354217 /nfs/dbraw/zinc/35/42/17/286354217.db2.gz FPWGNBXUGBSCRA-ZWKOTPCHSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352364545 286354219 /nfs/dbraw/zinc/35/42/19/286354219.db2.gz FPWGNBXUGBSCRA-ZWKOTPCHSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@H](c1ccc(F)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352364545 286354220 /nfs/dbraw/zinc/35/42/20/286354220.db2.gz FPWGNBXUGBSCRA-ZWKOTPCHSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@H](c1ccc(F)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352364545 286354223 /nfs/dbraw/zinc/35/42/23/286354223.db2.gz FPWGNBXUGBSCRA-ZWKOTPCHSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495211 286388061 /nfs/dbraw/zinc/38/80/61/286388061.db2.gz JNEZXSOIWLBZQB-SFHVURJKSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495211 286388064 /nfs/dbraw/zinc/38/80/64/286388064.db2.gz JNEZXSOIWLBZQB-SFHVURJKSA-N 2 1 317.477 2.627 20 0 DFADMP Cn1ncc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1C(F)(F)F ZINC000352507957 286392357 /nfs/dbraw/zinc/39/23/57/286392357.db2.gz FJLMRWNQGCMGOV-UHFFFAOYSA-N 2 1 318.387 2.780 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352509200 286392728 /nfs/dbraw/zinc/39/27/28/286392728.db2.gz KBGJHVQSINBWTM-UHFFFAOYSA-N 2 1 303.450 2.775 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352509200 286392730 /nfs/dbraw/zinc/39/27/30/286392730.db2.gz KBGJHVQSINBWTM-UHFFFAOYSA-N 2 1 303.450 2.775 20 0 DFADMP CC(C)C[C@H]1C[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352733067 286453588 /nfs/dbraw/zinc/45/35/88/286453588.db2.gz QMSIJCPZXCHLAM-KGLIPLIRSA-N 2 1 311.495 2.888 20 0 DFADMP Cc1cc(F)ccc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352751371 286457804 /nfs/dbraw/zinc/45/78/04/286457804.db2.gz UODHBDIVPKTIDW-UHFFFAOYSA-N 2 1 307.438 2.985 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCCNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352774129 286463742 /nfs/dbraw/zinc/46/37/42/286463742.db2.gz VYHPYBQWAHYFJX-GJZGRUSLSA-N 2 1 324.538 2.662 20 0 DFADMP CCN(CC)C(=O)CCC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000182552162 158004831 /nfs/dbraw/zinc/00/48/31/158004831.db2.gz XJYIXPKEFRLFJQ-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP Cn1ccnc1[C@H](NCc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000183324004 158016285 /nfs/dbraw/zinc/01/62/85/158016285.db2.gz IFQLUVWWXAMWED-QGZVFWFLSA-N 2 1 307.401 2.847 20 0 DFADMP Cc1cccc2c(NC[C@@H](C)[NH+]3CCN(C)CC3)c(C)c[nH+]c12 ZINC000185293151 158052051 /nfs/dbraw/zinc/05/20/51/158052051.db2.gz HMUNUTLTVBUFIJ-MRXNPFEDSA-N 2 1 312.461 2.899 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246948568 158107361 /nfs/dbraw/zinc/10/73/61/158107361.db2.gz IDFFYRANPPCONS-AOIWGVFYSA-N 2 1 318.509 2.612 20 0 DFADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000246948568 158107363 /nfs/dbraw/zinc/10/73/63/158107363.db2.gz IDFFYRANPPCONS-AOIWGVFYSA-N 2 1 318.509 2.612 20 0 DFADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000246948568 158107365 /nfs/dbraw/zinc/10/73/65/158107365.db2.gz IDFFYRANPPCONS-AOIWGVFYSA-N 2 1 318.509 2.612 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000247018242 158112757 /nfs/dbraw/zinc/11/27/57/158112757.db2.gz LQNVYJKWTDSGRN-WMZOPIPTSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000247018242 158112759 /nfs/dbraw/zinc/11/27/59/158112759.db2.gz LQNVYJKWTDSGRN-WMZOPIPTSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000247062330 158118376 /nfs/dbraw/zinc/11/83/76/158118376.db2.gz PQIPJPJESQSSIA-NZSAHSFTSA-N 2 1 303.494 2.918 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000247062330 158118378 /nfs/dbraw/zinc/11/83/78/158118378.db2.gz PQIPJPJESQSSIA-NZSAHSFTSA-N 2 1 303.494 2.918 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@H](C)C1 ZINC000247062330 158118379 /nfs/dbraw/zinc/11/83/79/158118379.db2.gz PQIPJPJESQSSIA-NZSAHSFTSA-N 2 1 303.494 2.918 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247221647 158123319 /nfs/dbraw/zinc/12/33/19/158123319.db2.gz RHLVXLNGXLSEJV-HOCLYGCPSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247221647 158123320 /nfs/dbraw/zinc/12/33/20/158123320.db2.gz RHLVXLNGXLSEJV-HOCLYGCPSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247221647 158123321 /nfs/dbraw/zinc/12/33/21/158123321.db2.gz RHLVXLNGXLSEJV-HOCLYGCPSA-N 2 1 304.434 2.620 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000247514072 158141996 /nfs/dbraw/zinc/14/19/96/158141996.db2.gz MTMWAISLOIKULS-MAUKXSAKSA-N 2 1 306.425 2.667 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000247514072 158141999 /nfs/dbraw/zinc/14/19/99/158141999.db2.gz MTMWAISLOIKULS-MAUKXSAKSA-N 2 1 306.425 2.667 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000248006663 158156770 /nfs/dbraw/zinc/15/67/70/158156770.db2.gz KVHWBBYWNGAGAV-QFBILLFUSA-N 2 1 318.461 2.509 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccccn2)[C@H](C)C1 ZINC000248040394 158159250 /nfs/dbraw/zinc/15/92/50/158159250.db2.gz STGYOIDWDDAEEC-ZACQAIPSSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccn2)[C@H](C)C1 ZINC000248040394 158159251 /nfs/dbraw/zinc/15/92/51/158159251.db2.gz STGYOIDWDDAEEC-ZACQAIPSSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000248067953 158160613 /nfs/dbraw/zinc/16/06/13/158160613.db2.gz ZZOAIRICSVPTKD-FXAWDEMLSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000248170129 158163330 /nfs/dbraw/zinc/16/33/30/158163330.db2.gz UPHMDEXOSSRUPH-HKUYNNGSSA-N 2 1 302.462 2.809 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248442513 158175919 /nfs/dbraw/zinc/17/59/19/158175919.db2.gz VLYYLEFSAQVXNR-JKSUJKDBSA-N 2 1 321.465 2.652 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H](Cc2[nH+]ccn2C)C1 ZINC000248442513 158175920 /nfs/dbraw/zinc/17/59/20/158175920.db2.gz VLYYLEFSAQVXNR-JKSUJKDBSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1(C)CC1 ZINC000248457605 158178095 /nfs/dbraw/zinc/17/80/95/158178095.db2.gz TUMPCOGKVYRKCF-YJBOKZPZSA-N 2 1 302.462 2.922 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)C[NH+]2CCCCCC2)C12CCOCC2 ZINC000248583922 158186041 /nfs/dbraw/zinc/18/60/41/158186041.db2.gz WXLJLFJRNSILKK-FGTMMUONSA-N 2 1 324.509 2.815 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000248597803 158188583 /nfs/dbraw/zinc/18/85/83/158188583.db2.gz UEJMUPWSNWHVRY-WDSOQIARSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000248597803 158188584 /nfs/dbraw/zinc/18/85/84/158188584.db2.gz UEJMUPWSNWHVRY-WDSOQIARSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CCc2ccccc2)[C@@H](C)C1 ZINC000248597803 158188585 /nfs/dbraw/zinc/18/85/85/158188585.db2.gz UEJMUPWSNWHVRY-WDSOQIARSA-N 2 1 304.478 2.642 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248652807 158194521 /nfs/dbraw/zinc/19/45/21/158194521.db2.gz YKPORBWMBCVVTD-AXSXRGJHSA-N 2 1 314.473 2.814 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000248755877 158200505 /nfs/dbraw/zinc/20/05/05/158200505.db2.gz CQPBSZMDDBEHBO-PANBIXPWSA-N 2 1 316.489 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248826372 158202653 /nfs/dbraw/zinc/20/26/53/158202653.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248826372 158202655 /nfs/dbraw/zinc/20/26/55/158202655.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248826372 158202662 /nfs/dbraw/zinc/20/26/62/158202662.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248826372 158202663 /nfs/dbraw/zinc/20/26/63/158202663.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248826372 158202668 /nfs/dbraw/zinc/20/26/68/158202668.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000248826372 158202670 /nfs/dbraw/zinc/20/26/70/158202670.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248826372 158202673 /nfs/dbraw/zinc/20/26/73/158202673.db2.gz CZNOMDNXQHVUSZ-LFGUQSLTSA-N 3 1 315.505 2.827 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000268781119 158209013 /nfs/dbraw/zinc/20/90/13/158209013.db2.gz XTBXPDJEDKKPSR-YYIAUSFCSA-N 2 1 320.477 2.809 20 0 DFADMP Cc1cc(Cl)ccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000349332755 158227150 /nfs/dbraw/zinc/22/71/50/158227150.db2.gz OVTIGZOUECOWHI-UHFFFAOYSA-N 2 1 309.885 2.718 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000355072346 158267807 /nfs/dbraw/zinc/26/78/07/158267807.db2.gz RLUUREFUDQDOTB-JKSUJKDBSA-N 2 1 319.468 2.987 20 0 DFADMP CCN(CCC[N@@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C)CC(F)(F)F ZINC000355096497 158273211 /nfs/dbraw/zinc/27/32/11/158273211.db2.gz LDBUIGQXFIGCSV-GJZGRUSLSA-N 2 1 323.447 2.923 20 0 DFADMP CCN(CCC[NH+](C)[C@H]1CC[N@H+](CC)C[C@@H]1C)CC(F)(F)F ZINC000355096497 158273212 /nfs/dbraw/zinc/27/32/12/158273212.db2.gz LDBUIGQXFIGCSV-GJZGRUSLSA-N 2 1 323.447 2.923 20 0 DFADMP CCN(CCC[NH+](C)[C@H]1CC[N@@H+](CC)C[C@@H]1C)CC(F)(F)F ZINC000355096497 158273213 /nfs/dbraw/zinc/27/32/13/158273213.db2.gz LDBUIGQXFIGCSV-GJZGRUSLSA-N 2 1 323.447 2.923 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355208329 158298962 /nfs/dbraw/zinc/29/89/62/158298962.db2.gz HEXIHYZZYXZQDM-CGTJXYLNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000355208329 158298964 /nfs/dbraw/zinc/29/89/64/158298964.db2.gz HEXIHYZZYXZQDM-CGTJXYLNSA-N 2 1 306.425 2.818 20 0 DFADMP CCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000356864352 158316666 /nfs/dbraw/zinc/31/66/66/158316666.db2.gz KQNGFDNVWHAYSJ-ZBFHGGJFSA-N 2 1 306.450 2.914 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871718 158317966 /nfs/dbraw/zinc/31/79/66/158317966.db2.gz OVVYGLYFZAAZIQ-AWEZNQCLSA-N 2 1 321.431 2.725 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000357044846 158356243 /nfs/dbraw/zinc/35/62/43/158356243.db2.gz HIPLEUUEJIAKNM-MSOLQXFVSA-N 2 1 323.440 2.702 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000357044846 158356245 /nfs/dbraw/zinc/35/62/45/158356245.db2.gz HIPLEUUEJIAKNM-MSOLQXFVSA-N 2 1 323.440 2.702 20 0 DFADMP CCCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357055360 158358229 /nfs/dbraw/zinc/35/82/29/158358229.db2.gz QXACMJKSQXADRB-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357055360 158358231 /nfs/dbraw/zinc/35/82/31/158358231.db2.gz QXACMJKSQXADRB-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CC(C)[C@@](C)(C[NH3+])[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000430552711 296793983 /nfs/dbraw/zinc/79/39/83/296793983.db2.gz NRSOOXZDXIIKGJ-OAHLLOKOSA-N 2 1 308.451 2.694 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000441350271 297180621 /nfs/dbraw/zinc/18/06/21/297180621.db2.gz HCULDVDWCIYKKO-ZIAGYGMSSA-N 2 1 321.431 2.723 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426852 287135998 /nfs/dbraw/zinc/13/59/98/287135998.db2.gz ZHPDZFIZOWFFPF-HNAYVOBHSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000314587244 287269136 /nfs/dbraw/zinc/26/91/36/287269136.db2.gz DTAUIBKZRRIWLM-HZSPNIEDSA-N 2 1 308.388 2.950 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132914028 196296466 /nfs/dbraw/zinc/29/64/66/196296466.db2.gz ZFFPUFIOUCXBEO-HOTGVXAUSA-N 2 1 318.461 2.847 20 0 DFADMP CCc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+](C)C)cc1 ZINC000133807148 196337590 /nfs/dbraw/zinc/33/75/90/196337590.db2.gz JJVUHZVLMHHSTC-AYOQOUSVSA-N 2 1 303.494 2.924 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000134021345 196353818 /nfs/dbraw/zinc/35/38/18/196353818.db2.gz ZSASUATUWNNQSX-QXAKKESOSA-N 2 1 303.494 2.999 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)CC[N@H+]1C ZINC000134139157 196365153 /nfs/dbraw/zinc/36/51/53/196365153.db2.gz QMLLMNWKHNCOEB-JYJNAYRXSA-N 2 1 307.507 2.957 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297619741 227377921 /nfs/dbraw/zinc/37/79/21/227377921.db2.gz LFNMUGMZXWIAOR-UHFFFAOYSA-N 2 1 312.461 2.722 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c(C3CC3)cnn2C)CC1 ZINC000667534598 543624834 /nfs/dbraw/zinc/62/48/34/543624834.db2.gz GFUCKSPTRJCKBH-UHFFFAOYSA-N 2 1 304.482 2.850 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1 ZINC000667597148 543638545 /nfs/dbraw/zinc/63/85/45/543638545.db2.gz CLHCPKJYIOFRDX-MRXNPFEDSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C3CCC3)cnn2C)[C@H](C)C1 ZINC000667666243 543655465 /nfs/dbraw/zinc/65/54/65/543655465.db2.gz GWWCTGABSYJPTK-PBHICJAKSA-N 2 1 304.482 2.850 20 0 DFADMP COCc1csc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000667706508 543663845 /nfs/dbraw/zinc/66/38/45/543663845.db2.gz ANMAQEGTSMSVKW-HYVNUMGLSA-N 2 1 324.490 2.578 20 0 DFADMP COCc1csc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000667706508 543663848 /nfs/dbraw/zinc/66/38/48/543663848.db2.gz ANMAQEGTSMSVKW-HYVNUMGLSA-N 2 1 324.490 2.578 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667724022 543667348 /nfs/dbraw/zinc/66/73/48/543667348.db2.gz SHCIUOKGKTWGKH-INIZCTEOSA-N 2 1 318.465 2.635 20 0 DFADMP C[C@@H](CNC(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCCC[C@H]1C ZINC000667730832 543668742 /nfs/dbraw/zinc/66/87/42/543668742.db2.gz BVLSDZHXTAFDII-KGLIPLIRSA-N 2 1 304.438 2.530 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667767327 543675442 /nfs/dbraw/zinc/67/54/42/543675442.db2.gz DONXXPXHPIYWCQ-RBUKOAKNSA-N 2 1 300.446 2.808 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)COc2ccc(CCOC)cc2)C1 ZINC000667792568 543680168 /nfs/dbraw/zinc/68/01/68/543680168.db2.gz CSOVFVJTUHGBPA-WMZOPIPTSA-N 2 1 320.477 2.574 20 0 DFADMP C[N@@H+](Cc1ccc(F)c(F)c1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000668016038 543724263 /nfs/dbraw/zinc/72/42/63/543724263.db2.gz RBZWEPHGTHYUQR-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP C[N@H+](Cc1ccc(F)c(F)c1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000668016038 543724267 /nfs/dbraw/zinc/72/42/67/543724267.db2.gz RBZWEPHGTHYUQR-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP CO[C@]1(C)CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668095831 543738492 /nfs/dbraw/zinc/73/84/92/543738492.db2.gz RISWUCQLDCRXSR-QGZVFWFLSA-N 2 1 300.406 2.658 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000668095831 543738495 /nfs/dbraw/zinc/73/84/95/543738495.db2.gz RISWUCQLDCRXSR-QGZVFWFLSA-N 2 1 300.406 2.658 20 0 DFADMP c1cc(C[N@H+]2CC[C@H](Cc3ccncc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667965617 543714290 /nfs/dbraw/zinc/71/42/90/543714290.db2.gz LWRRBZMOWGSRGE-QGZVFWFLSA-N 2 1 319.412 2.727 20 0 DFADMP c1cc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667965617 543714293 /nfs/dbraw/zinc/71/42/93/543714293.db2.gz LWRRBZMOWGSRGE-QGZVFWFLSA-N 2 1 319.412 2.727 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)c1nccs1 ZINC000667975199 543715973 /nfs/dbraw/zinc/71/59/73/543715973.db2.gz PRCYJVRBRATZJE-CYBMUJFWSA-N 2 1 313.430 2.959 20 0 DFADMP COCc1csc(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)c1 ZINC000668170059 543757739 /nfs/dbraw/zinc/75/77/39/543757739.db2.gz BYSVFDQHAGOCHY-ZDUSSCGKSA-N 2 1 305.447 2.785 20 0 DFADMP COCc1csc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000668170059 543757744 /nfs/dbraw/zinc/75/77/44/543757744.db2.gz BYSVFDQHAGOCHY-ZDUSSCGKSA-N 2 1 305.447 2.785 20 0 DFADMP COCc1csc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000668170059 543757747 /nfs/dbraw/zinc/75/77/47/543757747.db2.gz BYSVFDQHAGOCHY-ZDUSSCGKSA-N 2 1 305.447 2.785 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000668169062 543758086 /nfs/dbraw/zinc/75/80/86/543758086.db2.gz HVBCMARKCLKWDZ-KRWDZBQOSA-N 2 1 316.493 2.851 20 0 DFADMP COc1ccc(C[N@@H+](C)CC2CN(C)C2)cc1OCC(C)C ZINC000668538213 543820725 /nfs/dbraw/zinc/82/07/25/543820725.db2.gz WRZZPZUYIXQOTQ-UHFFFAOYSA-N 2 1 306.450 2.723 20 0 DFADMP COc1ccc(CN(C)CC2C[NH+](C)C2)cc1OCC(C)C ZINC000668538213 543820728 /nfs/dbraw/zinc/82/07/28/543820728.db2.gz WRZZPZUYIXQOTQ-UHFFFAOYSA-N 2 1 306.450 2.723 20 0 DFADMP C[C@@H](CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740595 543858866 /nfs/dbraw/zinc/85/88/66/543858866.db2.gz WCMXOOCIMLYKHE-LPHOPBHVSA-N 2 1 302.462 2.711 20 0 DFADMP C[C@@H](CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740596 543859428 /nfs/dbraw/zinc/85/94/28/543859428.db2.gz WCMXOOCIMLYKHE-QFBILLFUSA-N 2 1 302.462 2.711 20 0 DFADMP COCC1([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000668811211 543872442 /nfs/dbraw/zinc/87/24/42/543872442.db2.gz OSFYSGQHZXZKDF-KRWDZBQOSA-N 2 1 310.482 2.569 20 0 DFADMP C[C@H](Cc1ccccc1)C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000668784678 543866887 /nfs/dbraw/zinc/86/68/87/543866887.db2.gz HNFBHSBZEUMTIR-IEBWSBKVSA-N 2 1 304.478 2.908 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3cnccc3c2)CCO1 ZINC000668784781 543867040 /nfs/dbraw/zinc/86/70/40/543867040.db2.gz IBADCDUKPGUTTR-LJQANCHMSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3cnccc3c2)CCO1 ZINC000668784781 543867043 /nfs/dbraw/zinc/86/70/43/543867043.db2.gz IBADCDUKPGUTTR-LJQANCHMSA-N 2 1 313.445 2.777 20 0 DFADMP COc1c(C)cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000668785918 543867671 /nfs/dbraw/zinc/86/76/71/543867671.db2.gz QVSYHBDBUGBWLH-GOSISDBHSA-N 2 1 320.477 2.855 20 0 DFADMP COc1c(C)cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000668785918 543867673 /nfs/dbraw/zinc/86/76/73/543867673.db2.gz QVSYHBDBUGBWLH-GOSISDBHSA-N 2 1 320.477 2.855 20 0 DFADMP C[C@H]1CN(CC[N@@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000296691351 226128360 /nfs/dbraw/zinc/12/83/60/226128360.db2.gz JVQHJTSBYDDYKI-KRWDZBQOSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000296691351 226128362 /nfs/dbraw/zinc/12/83/62/226128362.db2.gz JVQHJTSBYDDYKI-KRWDZBQOSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000296691351 226128368 /nfs/dbraw/zinc/12/83/68/226128368.db2.gz JVQHJTSBYDDYKI-KRWDZBQOSA-N 2 1 301.478 2.535 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000669699836 543985416 /nfs/dbraw/zinc/98/54/16/543985416.db2.gz FKTVNEGTDYUTFV-MSOLQXFVSA-N 2 1 322.493 2.569 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741614 544104977 /nfs/dbraw/zinc/10/49/77/544104977.db2.gz ZSTGEUKHQZKPHW-UBHSHLNASA-N 2 1 301.390 2.811 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000671741508 544105421 /nfs/dbraw/zinc/10/54/21/544105421.db2.gz LCKKRXIDCHPBAX-ZACQAIPSSA-N 2 1 303.450 2.831 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000671741508 544105423 /nfs/dbraw/zinc/10/54/23/544105423.db2.gz LCKKRXIDCHPBAX-ZACQAIPSSA-N 2 1 303.450 2.831 20 0 DFADMP C[NH+](C)[C@@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297364873 227070716 /nfs/dbraw/zinc/07/07/16/227070716.db2.gz GBLCUMWIIFHJSO-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP OCCCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000291097388 222132923 /nfs/dbraw/zinc/13/29/23/222132923.db2.gz IQPWLAJCFZUMSM-UHFFFAOYSA-N 2 1 322.468 2.975 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000442773854 297205503 /nfs/dbraw/zinc/20/55/03/297205503.db2.gz DHEFSXWZFWDGNR-NEPJUHHUSA-N 2 1 302.340 2.753 20 0 DFADMP O=C(Nc1ccc2nccn2c1)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674014911 544214144 /nfs/dbraw/zinc/21/41/44/544214144.db2.gz ODSWJZIBSFULPV-CQSZACIVSA-N 2 1 312.417 2.927 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2COc3ccccc3O2)C[C@@H]1C ZINC000674047787 544215711 /nfs/dbraw/zinc/21/57/11/544215711.db2.gz PKUQOYVTZWTYDE-JYJNAYRXSA-N 2 1 304.434 2.631 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2COc3ccccc3O2)C[C@@H]1C ZINC000674047787 544215713 /nfs/dbraw/zinc/21/57/13/544215713.db2.gz PKUQOYVTZWTYDE-JYJNAYRXSA-N 2 1 304.434 2.631 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2COc3ccccc3O2)C[C@@H]1C ZINC000674047787 544215715 /nfs/dbraw/zinc/21/57/15/544215715.db2.gz PKUQOYVTZWTYDE-JYJNAYRXSA-N 2 1 304.434 2.631 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2COc3ccccc3O2)C[C@@H]1C ZINC000674047787 544215717 /nfs/dbraw/zinc/21/57/17/544215717.db2.gz PKUQOYVTZWTYDE-JYJNAYRXSA-N 2 1 304.434 2.631 20 0 DFADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000674245284 544226037 /nfs/dbraw/zinc/22/60/37/544226037.db2.gz JQAMLDNEZBQDHF-CVEARBPZSA-N 2 1 317.477 2.627 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc(OC(F)F)c(OC)c2)C1 ZINC000674877300 544272330 /nfs/dbraw/zinc/27/23/30/544272330.db2.gz OVCJMEBNRPJGGC-DGCLKSJQSA-N 2 1 314.376 2.726 20 0 DFADMP CC(C)[NH2+]CC(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000674680880 544250959 /nfs/dbraw/zinc/25/09/59/544250959.db2.gz HBPDOCCZQNPLCC-INIZCTEOSA-N 2 1 323.868 2.591 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cn2)[C@@H](C)C1 ZINC000675552329 544319077 /nfs/dbraw/zinc/31/90/77/544319077.db2.gz CBHQBRZOBMVVOV-WMZOPIPTSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cn2)[C@@H](C)C1 ZINC000675552329 544319078 /nfs/dbraw/zinc/31/90/78/544319078.db2.gz CBHQBRZOBMVVOV-WMZOPIPTSA-N 2 1 305.466 2.617 20 0 DFADMP c1ccc2c(c1)CC[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)C2 ZINC000675880951 544341409 /nfs/dbraw/zinc/34/14/09/544341409.db2.gz JHHRKKWAXDSGMB-PMACEKPBSA-N 2 1 314.473 2.777 20 0 DFADMP C[C@@H](Cc1cccs1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675883272 544341507 /nfs/dbraw/zinc/34/15/07/544341507.db2.gz ZGSUMPWRSZCOQV-HOCLYGCPSA-N 2 1 308.491 2.912 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)[C@@H](C)C1 ZINC000675802541 544337707 /nfs/dbraw/zinc/33/77/07/544337707.db2.gz STANPDCLNBATEG-MAUKXSAKSA-N 2 1 306.450 2.619 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000675925267 544344756 /nfs/dbraw/zinc/34/47/56/544344756.db2.gz JUYKEHDKWOTFMP-RDJZCZTQSA-N 2 1 300.450 2.505 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000677240337 544456648 /nfs/dbraw/zinc/45/66/48/544456648.db2.gz HFIQLQXWMVDLDZ-HRCADAONSA-N 2 1 321.415 2.760 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)c(F)c1 ZINC000677240354 544456699 /nfs/dbraw/zinc/45/66/99/544456699.db2.gz HFIQLQXWMVDLDZ-PMPSAXMXSA-N 2 1 321.415 2.760 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000677241554 544457267 /nfs/dbraw/zinc/45/72/67/544457267.db2.gz QLWFIOAXDOAKSW-VBQJREDUSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677241554 544457269 /nfs/dbraw/zinc/45/72/69/544457269.db2.gz QLWFIOAXDOAKSW-VBQJREDUSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677242382 544457705 /nfs/dbraw/zinc/45/77/05/544457705.db2.gz ZMNZEIIKKAAOJE-CVEARBPZSA-N 2 1 304.434 2.681 20 0 DFADMP Cc1[nH+]ccn1CCN1CCC[N@H+](Cc2ccccc2C)CC1 ZINC000677983343 544575565 /nfs/dbraw/zinc/57/55/65/544575565.db2.gz XNZCJORVYSRNTL-UHFFFAOYSA-N 2 1 312.461 2.708 20 0 DFADMP Cc1[nH+]ccn1CCN1CCC[N@@H+](Cc2ccccc2C)CC1 ZINC000677983343 544575568 /nfs/dbraw/zinc/57/55/68/544575568.db2.gz XNZCJORVYSRNTL-UHFFFAOYSA-N 2 1 312.461 2.708 20 0 DFADMP C[C@@H](CO)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000678044676 544587270 /nfs/dbraw/zinc/58/72/70/544587270.db2.gz RPGTVDFFGUSCBK-MJGOQNOKSA-N 2 1 302.462 2.603 20 0 DFADMP C[C@@H](CO)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000678044676 544587273 /nfs/dbraw/zinc/58/72/73/544587273.db2.gz RPGTVDFFGUSCBK-MJGOQNOKSA-N 2 1 302.462 2.603 20 0 DFADMP C[C@@H](CO)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000678044676 544587279 /nfs/dbraw/zinc/58/72/79/544587279.db2.gz RPGTVDFFGUSCBK-MJGOQNOKSA-N 2 1 302.462 2.603 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000678073051 544594375 /nfs/dbraw/zinc/59/43/75/544594375.db2.gz KIMMTQHDICRBED-KRWDZBQOSA-N 2 1 313.449 2.950 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2ccnc(C)n2)C1 ZINC000678073051 544594377 /nfs/dbraw/zinc/59/43/77/544594377.db2.gz KIMMTQHDICRBED-KRWDZBQOSA-N 2 1 313.449 2.950 20 0 DFADMP CC[C@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678122343 544604696 /nfs/dbraw/zinc/60/46/96/544604696.db2.gz LEUXQJIXAMHGTN-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678249587 544632050 /nfs/dbraw/zinc/63/20/50/544632050.db2.gz BCQANFBHZRPNTJ-HNNXBMFYSA-N 2 1 302.462 2.841 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678249587 544632053 /nfs/dbraw/zinc/63/20/53/544632053.db2.gz BCQANFBHZRPNTJ-HNNXBMFYSA-N 2 1 302.462 2.841 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)n1 ZINC000678256208 544632733 /nfs/dbraw/zinc/63/27/33/544632733.db2.gz RLGHBTJHFGNJII-INIZCTEOSA-N 2 1 300.406 2.822 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)n1 ZINC000678256208 544632736 /nfs/dbraw/zinc/63/27/36/544632736.db2.gz RLGHBTJHFGNJII-INIZCTEOSA-N 2 1 300.406 2.822 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)n1 ZINC000678422651 544670057 /nfs/dbraw/zinc/67/00/57/544670057.db2.gz NKQJJDKIFWEDRI-NVXWUHKLSA-N 2 1 305.466 2.586 20 0 DFADMP C[C@@H]1CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC12CCC2 ZINC000678469310 544679289 /nfs/dbraw/zinc/67/92/89/544679289.db2.gz NMOPDWPOKGRNMK-IEBWSBKVSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC12CCC2 ZINC000678469310 544679290 /nfs/dbraw/zinc/67/92/90/544679290.db2.gz NMOPDWPOKGRNMK-IEBWSBKVSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC12CCC2 ZINC000678469310 544679292 /nfs/dbraw/zinc/67/92/92/544679292.db2.gz NMOPDWPOKGRNMK-IEBWSBKVSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC12CCC2 ZINC000678469310 544679293 /nfs/dbraw/zinc/67/92/93/544679293.db2.gz NMOPDWPOKGRNMK-IEBWSBKVSA-N 2 1 316.489 2.991 20 0 DFADMP OC[C@@H](CC1CC1)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000678608570 544702340 /nfs/dbraw/zinc/70/23/40/544702340.db2.gz YDCUQSXGPMUSPZ-LJQANCHMSA-N 2 1 320.452 2.583 20 0 DFADMP C[N@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720608 544712584 /nfs/dbraw/zinc/71/25/84/544712584.db2.gz ZKOONJDCQWQXFB-INIZCTEOSA-N 2 1 323.431 2.565 20 0 DFADMP C[N@@H+](Cc1ccc(F)c(F)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720608 544712585 /nfs/dbraw/zinc/71/25/85/544712585.db2.gz ZKOONJDCQWQXFB-INIZCTEOSA-N 2 1 323.431 2.565 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C12CCC2 ZINC000678928816 544751548 /nfs/dbraw/zinc/75/15/48/544751548.db2.gz XFPUSJPBKMBCKN-OKZBNKHCSA-N 2 1 322.493 2.567 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679024733 544769810 /nfs/dbraw/zinc/76/98/10/544769810.db2.gz JHBRDHSETVJWNO-CVEARBPZSA-N 2 1 312.461 2.815 20 0 DFADMP c1cn2c([nH+]1)CC[C@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C2 ZINC000679025255 544769839 /nfs/dbraw/zinc/76/98/39/544769839.db2.gz JNASZNDEUQQBJA-NJAFHUGGSA-N 2 1 311.429 2.955 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCn2cncn2)cc1 ZINC000679036510 544772992 /nfs/dbraw/zinc/77/29/92/544772992.db2.gz MIDZHZJTGXPDHA-AWEZNQCLSA-N 2 1 310.405 2.513 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C2=CC[N@@H+](C)CC2)o1 ZINC000679663429 544893440 /nfs/dbraw/zinc/89/34/40/544893440.db2.gz YNPZJHZFPUPLEB-AWEZNQCLSA-N 2 1 319.449 2.502 20 0 DFADMP C[C@@H]1CC[C@@]2(CC[N@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC000679834202 544914710 /nfs/dbraw/zinc/91/47/10/544914710.db2.gz WGAJMXMRIRMSPH-YZGWKJHDSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@@]2(CC[N@@H+](C[C@@H](O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC000679834202 544914714 /nfs/dbraw/zinc/91/47/14/544914714.db2.gz WGAJMXMRIRMSPH-YZGWKJHDSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@@]2(CC[NH+](C[C@@H](O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC000679834202 544914717 /nfs/dbraw/zinc/91/47/17/544914717.db2.gz WGAJMXMRIRMSPH-YZGWKJHDSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@@]2(CC[NH+](C[C@@H](O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC000679834202 544914721 /nfs/dbraw/zinc/91/47/21/544914721.db2.gz WGAJMXMRIRMSPH-YZGWKJHDSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000679903733 544924671 /nfs/dbraw/zinc/92/46/71/544924671.db2.gz NAOPDPLRISHSGS-KGLIPLIRSA-N 2 1 309.417 2.685 20 0 DFADMP COc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000680333506 544992739 /nfs/dbraw/zinc/99/27/39/544992739.db2.gz CSUGFWDWAUEKRU-OKZBNKHCSA-N 2 1 300.446 2.769 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000124487623 425922607 /nfs/dbraw/zinc/92/26/07/425922607.db2.gz IGJIXEYGZAHLDN-KRWDZBQOSA-N 2 1 321.534 2.989 20 0 DFADMP NC(=O)[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)c1ccccc1 ZINC000026224490 425810113 /nfs/dbraw/zinc/81/01/13/425810113.db2.gz AKJNZROQSFJVJT-IBGZPJMESA-N 2 1 323.440 2.599 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000046374551 425864947 /nfs/dbraw/zinc/86/49/47/425864947.db2.gz YEXPGMMCRWTPCQ-OAHLLOKOSA-N 2 1 318.465 2.744 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCCC[N@@H+](C)C(C)C)o1 ZINC000042481942 425853462 /nfs/dbraw/zinc/85/34/62/425853462.db2.gz BDQYKWVULHNUOB-UHFFFAOYSA-N 2 1 309.454 2.582 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000192440152 268036357 /nfs/dbraw/zinc/03/63/57/268036357.db2.gz MDVRPCALKBZLCC-ZXDRNQKISA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)CC1 ZINC000192445917 268036383 /nfs/dbraw/zinc/03/63/83/268036383.db2.gz XBVQPMXPKWXJOI-GTPINHCMSA-N 2 1 310.482 2.676 20 0 DFADMP COC(=O)C1CCC([NH2+]CC(C)(C)[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000192440006 268036771 /nfs/dbraw/zinc/03/67/71/268036771.db2.gz TZRYVNFPVCOVKK-QQFBHYJXSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C1CCC([NH2+]CC(C)(C)[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000192440006 268036774 /nfs/dbraw/zinc/03/67/74/268036774.db2.gz TZRYVNFPVCOVKK-QQFBHYJXSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000192447613 268036871 /nfs/dbraw/zinc/03/68/71/268036871.db2.gz HOAWIOJSNXMQNK-KZYLPZIUSA-N 2 1 322.493 2.961 20 0 DFADMP COC(=O)C1CCC([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CC1 ZINC000192439339 268037072 /nfs/dbraw/zinc/03/70/72/268037072.db2.gz FWAIJKHFZMGPAQ-GTPINHCMSA-N 2 1 310.482 2.820 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000220780438 268140980 /nfs/dbraw/zinc/14/09/80/268140980.db2.gz QFDLEYNKCROZSX-JYJNAYRXSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000220780438 268140983 /nfs/dbraw/zinc/14/09/83/268140983.db2.gz QFDLEYNKCROZSX-JYJNAYRXSA-N 2 1 323.481 2.602 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000222919587 268141054 /nfs/dbraw/zinc/14/10/54/268141054.db2.gz HUZJINMMRYQJTB-LSDHHAIUSA-N 2 1 311.470 2.506 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc1)C(C)C ZINC000236923528 268152941 /nfs/dbraw/zinc/15/29/41/268152941.db2.gz RWQSCGIOUKCCSG-HNNXBMFYSA-N 2 1 305.466 2.502 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)C[N@H+](C)Cc1ccccc1 ZINC000237043741 268153673 /nfs/dbraw/zinc/15/36/73/268153673.db2.gz BTRLEOVKFNMNAO-UHFFFAOYSA-N 2 1 311.429 2.867 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)C[N@@H+](C)Cc1ccccc1 ZINC000237043741 268153676 /nfs/dbraw/zinc/15/36/76/268153676.db2.gz BTRLEOVKFNMNAO-UHFFFAOYSA-N 2 1 311.429 2.867 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)c1 ZINC000237263698 268155861 /nfs/dbraw/zinc/15/58/61/268155861.db2.gz JOVDLVADNHKTLN-OAHLLOKOSA-N 2 1 323.440 2.791 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)c1 ZINC000237263698 268155864 /nfs/dbraw/zinc/15/58/64/268155864.db2.gz JOVDLVADNHKTLN-OAHLLOKOSA-N 2 1 323.440 2.791 20 0 DFADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123766 268168011 /nfs/dbraw/zinc/16/80/11/268168011.db2.gz VXMSVTMMXLLFKO-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123766 268168015 /nfs/dbraw/zinc/16/80/15/268168015.db2.gz VXMSVTMMXLLFKO-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123766 268168017 /nfs/dbraw/zinc/16/80/17/268168017.db2.gz VXMSVTMMXLLFKO-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cn2c(n1)CCCC2 ZINC000268113706 268183456 /nfs/dbraw/zinc/18/34/56/268183456.db2.gz MQHNWUQYIFKUKR-QFBILLFUSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]Cc1cn2c(n1)CCCC2 ZINC000268113706 268183460 /nfs/dbraw/zinc/18/34/60/268183460.db2.gz MQHNWUQYIFKUKR-QFBILLFUSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cn2c(n1)CCCC2 ZINC000268113704 268183545 /nfs/dbraw/zinc/18/35/45/268183545.db2.gz MQHNWUQYIFKUKR-APWZRJJASA-N 2 1 324.472 2.830 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]Cc1cn2c(n1)CCCC2 ZINC000268113704 268183547 /nfs/dbraw/zinc/18/35/47/268183547.db2.gz MQHNWUQYIFKUKR-APWZRJJASA-N 2 1 324.472 2.830 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270624805 268193525 /nfs/dbraw/zinc/19/35/25/268193525.db2.gz KQGDPNJZVONWES-HZPDHXFCSA-N 2 1 303.406 2.763 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C[C@@H](O)c1ccco1 ZINC000270624805 268193529 /nfs/dbraw/zinc/19/35/29/268193529.db2.gz KQGDPNJZVONWES-HZPDHXFCSA-N 2 1 303.406 2.763 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000270635664 268194591 /nfs/dbraw/zinc/19/45/91/268194591.db2.gz MGNRBOOZOTVXLF-LJQANCHMSA-N 2 1 313.445 2.954 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)[C@@H]1CCCc2ccccc21 ZINC000270635664 268194593 /nfs/dbraw/zinc/19/45/93/268194593.db2.gz MGNRBOOZOTVXLF-LJQANCHMSA-N 2 1 313.445 2.954 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000271520309 268249815 /nfs/dbraw/zinc/24/98/15/268249815.db2.gz QDGHUNVNTCRRRE-ZFWWWQNUSA-N 2 1 316.474 2.820 20 0 DFADMP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000278945915 268268514 /nfs/dbraw/zinc/26/85/14/268268514.db2.gz YLIZWZRJVNZOIV-APWZRJJASA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000278945915 268268516 /nfs/dbraw/zinc/26/85/16/268268516.db2.gz YLIZWZRJVNZOIV-APWZRJJASA-N 2 1 310.445 2.984 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000289543133 268280642 /nfs/dbraw/zinc/28/06/42/268280642.db2.gz CRBAFHWESZFZLO-NUJGCVRESA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000289543133 268280644 /nfs/dbraw/zinc/28/06/44/268280644.db2.gz CRBAFHWESZFZLO-NUJGCVRESA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000289543133 268280646 /nfs/dbraw/zinc/28/06/46/268280646.db2.gz CRBAFHWESZFZLO-NUJGCVRESA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289543133 268280648 /nfs/dbraw/zinc/28/06/48/268280648.db2.gz CRBAFHWESZFZLO-NUJGCVRESA-N 2 1 302.462 2.628 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309678318 268336214 /nfs/dbraw/zinc/33/62/14/268336214.db2.gz YDRFGFCAZQXWAK-CABCVRRESA-N 2 1 322.453 2.617 20 0 DFADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337743 268339399 /nfs/dbraw/zinc/33/93/99/268339399.db2.gz JSAPJTSAZXDWBC-SMDDNHRTSA-N 2 1 302.340 2.816 20 0 DFADMP C[C@@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337743 268339401 /nfs/dbraw/zinc/33/94/01/268339401.db2.gz JSAPJTSAZXDWBC-SMDDNHRTSA-N 2 1 302.340 2.816 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H](C)CCn3cccn3)CC2)[nH+]1 ZINC000157837869 425939279 /nfs/dbraw/zinc/93/92/79/425939279.db2.gz WOCVDFSQGRFXFI-MRXNPFEDSA-N 2 1 313.449 2.624 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000125946078 425997314 /nfs/dbraw/zinc/99/73/14/425997314.db2.gz RVXMVMHKRROBLR-MSOLQXFVSA-N 2 1 317.477 2.588 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCc3nc(C)sc32)CC1 ZINC000159183733 425955940 /nfs/dbraw/zinc/95/59/40/425955940.db2.gz PKYBZTFKNZMHSF-INIZCTEOSA-N 2 1 323.506 2.919 20 0 DFADMP CC[NH+]1CCC([N@H+](C)Cc2cccc(OCCOC)c2)CC1 ZINC000125212804 425958940 /nfs/dbraw/zinc/95/89/40/425958940.db2.gz TXQRFJGALOAECP-UHFFFAOYSA-N 2 1 306.450 2.628 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)Cc2cccc(OCCOC)c2)CC1 ZINC000125212804 425958943 /nfs/dbraw/zinc/95/89/43/425958943.db2.gz TXQRFJGALOAECP-UHFFFAOYSA-N 2 1 306.450 2.628 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)Cc3ccncc3)CC2)nc(C)[nH+]1 ZINC000125302426 425964541 /nfs/dbraw/zinc/96/45/41/425964541.db2.gz LJMQGNURBZWLEO-UHFFFAOYSA-N 2 1 311.433 2.589 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)Cc3ccncc3)CC2)nc(C)[nH+]1 ZINC000125302426 425964543 /nfs/dbraw/zinc/96/45/43/425964543.db2.gz LJMQGNURBZWLEO-UHFFFAOYSA-N 2 1 311.433 2.589 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174124 425968664 /nfs/dbraw/zinc/96/86/64/425968664.db2.gz GMBUBVOVNHVZNV-OLZOCXBDSA-N 2 1 309.841 2.728 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000070170705 425968946 /nfs/dbraw/zinc/96/89/46/425968946.db2.gz WPWBUDKDRCBEGD-ZDUSSCGKSA-N 2 1 309.841 2.648 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000070170705 425968948 /nfs/dbraw/zinc/96/89/48/425968948.db2.gz WPWBUDKDRCBEGD-ZDUSSCGKSA-N 2 1 309.841 2.648 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1Cl ZINC000070171121 425969023 /nfs/dbraw/zinc/96/90/23/425969023.db2.gz QWMQBVZHBXYETF-ZDUSSCGKSA-N 2 1 309.841 2.648 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1sccc1Br ZINC000161574428 426029787 /nfs/dbraw/zinc/02/97/87/426029787.db2.gz DXZDINCQCISDME-ONGXEEELSA-N 2 1 303.269 2.940 20 0 DFADMP Fc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1-n1ccnc1 ZINC000126654102 426030041 /nfs/dbraw/zinc/03/00/41/426030041.db2.gz BDDIECKROPYMTG-HZPDHXFCSA-N 3 1 314.408 2.728 20 0 DFADMP Fc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1-n1ccnc1 ZINC000126654102 426030044 /nfs/dbraw/zinc/03/00/44/426030044.db2.gz BDDIECKROPYMTG-HZPDHXFCSA-N 3 1 314.408 2.728 20 0 DFADMP Fc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1-n1ccnc1 ZINC000126654102 426030047 /nfs/dbraw/zinc/03/00/47/426030047.db2.gz BDDIECKROPYMTG-HZPDHXFCSA-N 2 1 314.408 2.728 20 0 DFADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126654934 426030420 /nfs/dbraw/zinc/03/04/20/426030420.db2.gz FVRGPQHLKHCLSC-SJORKVTESA-N 2 1 303.494 2.958 20 0 DFADMP Fc1cccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)c1 ZINC000161617938 426031614 /nfs/dbraw/zinc/03/16/14/426031614.db2.gz CKQYSERHTKMOHX-UHFFFAOYSA-N 2 1 319.468 2.819 20 0 DFADMP Cc1cn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C)nc2s1 ZINC000111158506 426037162 /nfs/dbraw/zinc/03/71/62/426037162.db2.gz IVZURECQSCLTIH-UONOGXRCSA-N 2 1 304.463 2.729 20 0 DFADMP Cc1cn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c(C)nc2s1 ZINC000111158506 426037164 /nfs/dbraw/zinc/03/71/64/426037164.db2.gz IVZURECQSCLTIH-UONOGXRCSA-N 2 1 304.463 2.729 20 0 DFADMP COC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000162165084 426056116 /nfs/dbraw/zinc/05/61/16/426056116.db2.gz HNTCQZMNMSWNFC-LJQANCHMSA-N 2 1 302.462 2.974 20 0 DFADMP CC[C@@](C)(O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000162211622 426057044 /nfs/dbraw/zinc/05/70/44/426057044.db2.gz GLRFRCWAFINZOG-GOSISDBHSA-N 2 1 305.466 2.781 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CN(C)C(=O)OC(C)(C)C ZINC000162490059 426066550 /nfs/dbraw/zinc/06/65/50/426066550.db2.gz RMJGOMTYKBOTJP-KFWWJZLASA-N 2 1 313.486 2.562 20 0 DFADMP COCc1ccc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)o1 ZINC000126290384 426012751 /nfs/dbraw/zinc/01/27/51/426012751.db2.gz ROWLXLIPUHGGLF-UHFFFAOYSA-N 2 1 318.417 2.656 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000163085140 426088294 /nfs/dbraw/zinc/08/82/94/426088294.db2.gz HBLRSAGPCDPOTP-KBAYOESNSA-N 2 1 316.445 2.625 20 0 DFADMP C[N@H+](CCC(=O)Nc1ccc(F)cc1)CC[C@@H]1CCCC[NH+]1C ZINC000075860699 426088635 /nfs/dbraw/zinc/08/86/35/426088635.db2.gz XLODDOMUMLDTFT-KRWDZBQOSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(F)cc1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860699 426088638 /nfs/dbraw/zinc/08/86/38/426088638.db2.gz XLODDOMUMLDTFT-KRWDZBQOSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(F)cc1)CC[C@@H]1CCCC[N@H+]1C ZINC000075860699 426088640 /nfs/dbraw/zinc/08/86/40/426088640.db2.gz XLODDOMUMLDTFT-KRWDZBQOSA-N 2 1 321.440 2.961 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)Cc1nc2ccccc2n1C ZINC000163137888 426091383 /nfs/dbraw/zinc/09/13/83/426091383.db2.gz VRFGKYTUMFANCX-UHFFFAOYSA-N 2 1 311.433 2.990 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)Cc1nc2ccccc2n1C ZINC000163137888 426091385 /nfs/dbraw/zinc/09/13/85/426091385.db2.gz VRFGKYTUMFANCX-UHFFFAOYSA-N 2 1 311.433 2.990 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(OC)cc32)C1 ZINC000163223377 426093162 /nfs/dbraw/zinc/09/31/62/426093162.db2.gz DZPXPUAGGRHCAQ-RHSMWYFYSA-N 2 1 304.434 2.840 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000163234701 426093362 /nfs/dbraw/zinc/09/33/62/426093362.db2.gz WCGFCDCZVMAXAB-UONOGXRCSA-N 2 1 315.461 2.909 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC000163241413 426094011 /nfs/dbraw/zinc/09/40/11/426094011.db2.gz NTSFWCVSBZYTRF-JKSUJKDBSA-N 2 1 306.450 2.704 20 0 DFADMP Cc1cc(C)cc([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000127945437 426094588 /nfs/dbraw/zinc/09/45/88/426094588.db2.gz AVSNHEQSLUZTDZ-IRXDYDNUSA-N 2 1 317.477 2.541 20 0 DFADMP c1cc2c(cc1CN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCCCO2 ZINC000128099892 426101338 /nfs/dbraw/zinc/10/13/38/426101338.db2.gz RLHPSQYMIOINQZ-HZPDHXFCSA-N 2 1 302.418 2.564 20 0 DFADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCCO2 ZINC000128099892 426101339 /nfs/dbraw/zinc/10/13/39/426101339.db2.gz RLHPSQYMIOINQZ-HZPDHXFCSA-N 2 1 302.418 2.564 20 0 DFADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCCCO2 ZINC000128099892 426101341 /nfs/dbraw/zinc/10/13/41/426101341.db2.gz RLHPSQYMIOINQZ-HZPDHXFCSA-N 2 1 302.418 2.564 20 0 DFADMP CC[C@@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)[C@@H]1CCOC1 ZINC000163519133 426101683 /nfs/dbraw/zinc/10/16/83/426101683.db2.gz GSLHWOINJXEMBS-NVXWUHKLSA-N 2 1 303.450 2.764 20 0 DFADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000128105354 426102887 /nfs/dbraw/zinc/10/28/87/426102887.db2.gz CAGSUESIXXGSAC-ROUUACIJSA-N 2 1 323.525 2.912 20 0 DFADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128277791 426109632 /nfs/dbraw/zinc/10/96/32/426109632.db2.gz LDOWLQIASHMEMA-ROUUACIJSA-N 2 1 303.494 2.796 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164085745 426111822 /nfs/dbraw/zinc/11/18/22/426111822.db2.gz LMXKUZRDNXYYES-MGPQQGTHSA-N 2 1 313.486 2.608 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113516187 426116778 /nfs/dbraw/zinc/11/67/78/426116778.db2.gz KVKKLSGLHKENAF-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000113516187 426116782 /nfs/dbraw/zinc/11/67/82/426116782.db2.gz KVKKLSGLHKENAF-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000113515873 426117174 /nfs/dbraw/zinc/11/71/74/426117174.db2.gz ZMAKKIXMSHAQRJ-ZDUSSCGKSA-N 2 1 320.462 2.614 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000113515873 426117176 /nfs/dbraw/zinc/11/71/76/426117176.db2.gz ZMAKKIXMSHAQRJ-ZDUSSCGKSA-N 2 1 320.462 2.614 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000128492204 426120611 /nfs/dbraw/zinc/12/06/11/426120611.db2.gz AXINEVPDXFTGHI-OAHLLOKOSA-N 2 1 311.857 2.974 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cnccn1 ZINC000165176002 426120752 /nfs/dbraw/zinc/12/07/52/426120752.db2.gz FUIXUYBPNPGHBD-HNNXBMFYSA-N 2 1 314.433 2.658 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1cnccn1 ZINC000165176112 426120837 /nfs/dbraw/zinc/12/08/37/426120837.db2.gz FUIXUYBPNPGHBD-OAHLLOKOSA-N 2 1 314.433 2.658 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)CC1 ZINC000166047156 426125348 /nfs/dbraw/zinc/12/53/48/426125348.db2.gz VQKMTFKOQQYMSW-MAUKXSAKSA-N 2 1 323.525 2.734 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H](Cc2ccccc2)C2CC2)CCOCC1 ZINC000168263665 426134237 /nfs/dbraw/zinc/13/42/37/426134237.db2.gz VTLMDJSDQCHIKM-SFHVURJKSA-N 2 1 302.462 2.708 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000114455064 426136537 /nfs/dbraw/zinc/13/65/37/426136537.db2.gz BKHIUFOJZMDLOF-UHFFFAOYSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000162772337 426076067 /nfs/dbraw/zinc/07/60/67/426076067.db2.gz YHIWKLUKXPHUTJ-HZPDHXFCSA-N 2 1 309.479 2.568 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1 ZINC000162772337 426076068 /nfs/dbraw/zinc/07/60/68/426076068.db2.gz YHIWKLUKXPHUTJ-HZPDHXFCSA-N 2 1 309.479 2.568 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000162921040 426082252 /nfs/dbraw/zinc/08/22/52/426082252.db2.gz CJJHNOGJTHOGAD-UHFFFAOYSA-N 2 1 312.255 2.666 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000129608969 426139968 /nfs/dbraw/zinc/13/99/68/426139968.db2.gz LKWZEJBIGSLATK-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000129608969 426139971 /nfs/dbraw/zinc/13/99/71/426139971.db2.gz LKWZEJBIGSLATK-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000129608969 426139974 /nfs/dbraw/zinc/13/99/74/426139974.db2.gz LKWZEJBIGSLATK-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNC(=O)C[N@@H+](CC)C1CC1 ZINC000130484963 426160543 /nfs/dbraw/zinc/16/05/43/426160543.db2.gz QUVMLLQDKWLUJM-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](C2CCN(CCCCC(F)(F)F)CC2)CCO1 ZINC000133456447 426178032 /nfs/dbraw/zinc/17/80/32/426178032.db2.gz OAEMQGNXEBZLEK-CYBMUJFWSA-N 2 1 308.388 2.904 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000116396072 426189052 /nfs/dbraw/zinc/18/90/52/426189052.db2.gz JYXHBASAUVICQI-HOTGVXAUSA-N 2 1 313.530 2.976 20 0 DFADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000116396619 426189300 /nfs/dbraw/zinc/18/93/00/426189300.db2.gz HDJNWMTXQRTESI-NVXWUHKLSA-N 2 1 319.493 2.647 20 0 DFADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000116396941 426189417 /nfs/dbraw/zinc/18/94/17/426189417.db2.gz FVQPEZMIBVUHMD-NVXWUHKLSA-N 2 1 319.493 2.994 20 0 DFADMP CC1CCC(O)(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134894284 426197591 /nfs/dbraw/zinc/19/75/91/426197591.db2.gz AUZXHZISHRXRIC-BDFRZKONSA-N 2 1 306.494 2.876 20 0 DFADMP CC1CCC(O)(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134894284 426197594 /nfs/dbraw/zinc/19/75/94/426197594.db2.gz AUZXHZISHRXRIC-BDFRZKONSA-N 2 1 306.494 2.876 20 0 DFADMP CC1CC[NH+](CCN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134906686 426200190 /nfs/dbraw/zinc/20/01/90/426200190.db2.gz BFLLMVVMAHLTGP-IEBWSBKVSA-N 2 1 305.510 2.667 20 0 DFADMP C[C@@H](C(=O)NC1CC[NH+](C2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000175004203 426273774 /nfs/dbraw/zinc/27/37/74/426273774.db2.gz UHRBKIQXRTXHQJ-XHSDSOJGSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)N(C)C2CCCCC2)C[C@@H]1n1ccnc1 ZINC000136095575 426235161 /nfs/dbraw/zinc/23/51/61/426235161.db2.gz DCRFKTTYCDLUDL-RDJZCZTQSA-N 2 1 318.465 2.557 20 0 DFADMP C[C@H]1CCN(CC(=O)N(C)C2CCCCC2)C[C@@H]1n1ccnc1 ZINC000136095575 426235163 /nfs/dbraw/zinc/23/51/63/426235163.db2.gz DCRFKTTYCDLUDL-RDJZCZTQSA-N 2 1 318.465 2.557 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965479 426252192 /nfs/dbraw/zinc/25/21/92/426252192.db2.gz YRAGCCDGMCXHQU-DKKFBQAASA-N 2 1 303.494 2.916 20 0 DFADMP C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174712824 426264303 /nfs/dbraw/zinc/26/43/03/426264303.db2.gz YZEPXXYHCSXRRV-CQSZACIVSA-N 2 1 311.420 2.595 20 0 DFADMP Cc1ccc([C@@H](O)C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000119439206 426288732 /nfs/dbraw/zinc/28/87/32/426288732.db2.gz DUNRAJZIHPXKMN-AEFFLSMTSA-N 2 1 313.445 2.717 20 0 DFADMP C[C@H]1C[C@@H](NC2CC[NH+](C3CC3)CC2)C[N@H+]1Cc1ccccc1 ZINC000119567080 426297446 /nfs/dbraw/zinc/29/74/46/426297446.db2.gz OUZAJCDLBMRFPK-QFBILLFUSA-N 2 1 313.489 2.866 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000339411239 268810467 /nfs/dbraw/zinc/81/04/67/268810467.db2.gz XBDCRWNELJPTKZ-OAHLLOKOSA-N 2 1 306.479 2.954 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000152351225 426340204 /nfs/dbraw/zinc/34/02/04/426340204.db2.gz STGYOIDWDDAEEC-IKGGRYGDSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000152351225 426340210 /nfs/dbraw/zinc/34/02/10/426340210.db2.gz STGYOIDWDDAEEC-IKGGRYGDSA-N 2 1 305.466 2.869 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCC[NH+](C)C)ccc1OC(F)F ZINC000151920857 426318944 /nfs/dbraw/zinc/31/89/44/426318944.db2.gz SAAOJDDSFPCIDE-NSHDSACASA-N 2 1 302.365 2.899 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCN2CCCc3ccccc32)CC1 ZINC000090551628 426328357 /nfs/dbraw/zinc/32/83/57/426328357.db2.gz VISZCSDQTARYGP-UHFFFAOYSA-N 2 1 301.478 2.855 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCN2CCCc3ccccc32)CC1 ZINC000090551628 426328358 /nfs/dbraw/zinc/32/83/58/426328358.db2.gz VISZCSDQTARYGP-UHFFFAOYSA-N 2 1 301.478 2.855 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585193 426329467 /nfs/dbraw/zinc/32/94/67/426329467.db2.gz NVRRXPYLBQOPSF-DLBZAZTESA-N 2 1 311.514 2.591 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000090936939 426333715 /nfs/dbraw/zinc/33/37/15/426333715.db2.gz SPFUVGLEUVQAFC-CQSZACIVSA-N 2 1 303.406 2.774 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCc3ccccc3C)C2)CC1 ZINC000175906993 426337232 /nfs/dbraw/zinc/33/72/32/426337232.db2.gz YILXKLYLQCCGNR-FQEVSTJZSA-N 2 1 315.505 2.639 20 0 DFADMP Cc1cc(NC(=O)NC[C@H](c2ccco2)N2CCCC2)ccn1 ZINC000119297181 426276578 /nfs/dbraw/zinc/27/65/78/426276578.db2.gz FUWTUQHZNHNNQX-OAHLLOKOSA-N 2 1 314.389 2.942 20 0 DFADMP Cc1ccc(N2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000119357675 426282014 /nfs/dbraw/zinc/28/20/14/426282014.db2.gz WWTDPOKLYJOJTN-SFHVURJKSA-N 2 1 301.478 2.991 20 0 DFADMP Cc1ccc(N2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC000119357675 426282016 /nfs/dbraw/zinc/28/20/16/426282016.db2.gz WWTDPOKLYJOJTN-SFHVURJKSA-N 2 1 301.478 2.991 20 0 DFADMP Cc1ccc(N2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)CC2)cc1 ZINC000119357675 426282017 /nfs/dbraw/zinc/28/20/17/426282017.db2.gz WWTDPOKLYJOJTN-SFHVURJKSA-N 2 1 301.478 2.991 20 0 DFADMP COC[C@@H]([NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000153735438 426402872 /nfs/dbraw/zinc/40/28/72/426402872.db2.gz RJMPEANIEQAJIS-MRXNPFEDSA-N 2 1 303.381 2.834 20 0 DFADMP COCC[N@@H+](C)CCCN[C@H]1CCCOc2ccc(F)cc21 ZINC000153741426 426403299 /nfs/dbraw/zinc/40/32/99/426403299.db2.gz DBCDEZOFIWOMHV-INIZCTEOSA-N 2 1 310.413 2.597 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2ccc(F)cc21 ZINC000153741426 426403305 /nfs/dbraw/zinc/40/33/05/426403305.db2.gz DBCDEZOFIWOMHV-INIZCTEOSA-N 2 1 310.413 2.597 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2ccc(C)cc21 ZINC000153760847 426404932 /nfs/dbraw/zinc/40/49/32/426404932.db2.gz HIEIKLSVSBGIDF-QGZVFWFLSA-N 2 1 306.450 2.767 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152408996 426341648 /nfs/dbraw/zinc/34/16/48/426341648.db2.gz RQEUDFLSYXFNCZ-PBHICJAKSA-N 2 1 316.445 2.983 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000152447709 426342717 /nfs/dbraw/zinc/34/27/17/426342717.db2.gz RKNVNTYAVAQOKA-YPENRWOSSA-N 2 1 306.475 2.559 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000121477502 426345360 /nfs/dbraw/zinc/34/53/60/426345360.db2.gz KGDICSPIJVDRPW-ZIAGYGMSSA-N 2 1 315.417 2.950 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000121989132 426356253 /nfs/dbraw/zinc/35/62/53/426356253.db2.gz OOYLWKQUTDOOFU-CABCVRRESA-N 2 1 311.470 2.506 20 0 DFADMP C[C@@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000121939480 426356412 /nfs/dbraw/zinc/35/64/12/426356412.db2.gz HASIXLBVKBBKJG-XGUBFFRZSA-N 2 1 323.506 2.728 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000121989765 426356911 /nfs/dbraw/zinc/35/69/11/426356911.db2.gz OOYLWKQUTDOOFU-LSDHHAIUSA-N 2 1 311.470 2.506 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000153199378 426374432 /nfs/dbraw/zinc/37/44/32/426374432.db2.gz LPTCDHNAPXPNRE-HNNXBMFYSA-N 2 1 321.431 2.821 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000153199378 426374437 /nfs/dbraw/zinc/37/44/37/426374437.db2.gz LPTCDHNAPXPNRE-HNNXBMFYSA-N 2 1 321.431 2.821 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@@H]1[NH3+] ZINC000122747674 426391847 /nfs/dbraw/zinc/39/18/47/426391847.db2.gz VVZJIJSEHUDKRY-JSGCOSHPSA-N 2 1 309.841 2.728 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123250922 426422911 /nfs/dbraw/zinc/42/29/11/426422911.db2.gz QCHSCHGSHOAEEB-GOSISDBHSA-N 2 1 318.461 2.955 20 0 DFADMP COC(=O)c1cc(F)ccc1CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000123402526 426431637 /nfs/dbraw/zinc/43/16/37/426431637.db2.gz GSHBNJIMVQQUNC-DOMZBBRYSA-N 2 1 308.397 2.527 20 0 DFADMP CCCn1c(C)nnc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123525619 426439179 /nfs/dbraw/zinc/43/91/79/426439179.db2.gz KKFKMZKJAVRINW-UHFFFAOYSA-N 2 1 307.486 2.550 20 0 DFADMP C[C@]1(CN2CCC[N@@H+](CCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000340708677 269002426 /nfs/dbraw/zinc/00/24/26/269002426.db2.gz KOOQFUUDQAPTJB-FQEVSTJZSA-N 2 1 315.505 2.627 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000123753153 426451837 /nfs/dbraw/zinc/45/18/37/426451837.db2.gz WLTXRSXDCWFYQE-QGZVFWFLSA-N 3 1 316.493 2.905 20 0 DFADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCO2)CC1CC[NH+](C)CC1 ZINC000154721229 426451963 /nfs/dbraw/zinc/45/19/63/426451963.db2.gz DTDPVHZSDGSOSZ-UHFFFAOYSA-N 2 1 324.852 2.885 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000177216877 426454996 /nfs/dbraw/zinc/45/49/96/426454996.db2.gz SHXHNFMVYGMDPI-JKSUJKDBSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000177320318 426467904 /nfs/dbraw/zinc/46/79/04/426467904.db2.gz BMRSSACCBRBDQZ-UHFFFAOYSA-N 2 1 320.824 2.616 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000155420444 426471591 /nfs/dbraw/zinc/47/15/91/426471591.db2.gz WIZBTTLDWGTRQX-VHDGCEQUSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000155420444 426471593 /nfs/dbraw/zinc/47/15/93/426471593.db2.gz WIZBTTLDWGTRQX-VHDGCEQUSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000155526810 426473564 /nfs/dbraw/zinc/47/35/64/426473564.db2.gz QGSSAEQFXZZQPR-MRXNPFEDSA-N 2 1 317.477 2.743 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000124380869 426482260 /nfs/dbraw/zinc/48/22/60/426482260.db2.gz HZKHQUCHEIXNPG-KBPBESRZSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000124380869 426482261 /nfs/dbraw/zinc/48/22/61/426482261.db2.gz HZKHQUCHEIXNPG-KBPBESRZSA-N 2 1 304.434 2.839 20 0 DFADMP Cc1ccsc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124416914 426483964 /nfs/dbraw/zinc/48/39/64/426483964.db2.gz UHGPZQMFHFNMTP-OAHLLOKOSA-N 2 1 309.523 2.981 20 0 DFADMP Cc1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)on1 ZINC000177487670 426488853 /nfs/dbraw/zinc/48/88/53/426488853.db2.gz LYVQTHZPJRVLHQ-IYBDPMFKSA-N 2 1 321.465 2.694 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)[C@H](C)C1 ZINC000186335548 426508534 /nfs/dbraw/zinc/50/85/34/426508534.db2.gz NHZXGVJWJWHYCB-IZIZEDOESA-N 2 1 317.477 2.532 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)CC[N@H+]1C ZINC000186413396 426523782 /nfs/dbraw/zinc/52/37/82/426523782.db2.gz CAKBCCGWOXGRBP-BBRMVZONSA-N 2 1 303.425 2.932 20 0 DFADMP COC(=O)c1oc(CN2CC[C@H](C)[C@H](n3ccnc3)C2)cc1C ZINC000177909772 426537327 /nfs/dbraw/zinc/53/73/27/426537327.db2.gz WRVVWDCCHCDJKO-SWLSCSKDSA-N 2 1 317.389 2.654 20 0 DFADMP C[N@H+](C[C@H](O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264333180 426537821 /nfs/dbraw/zinc/53/78/21/426537821.db2.gz AFMGKHSSUTXNMY-SFHVURJKSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](C[C@H](O)C(C)(C)C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000264333180 426537824 /nfs/dbraw/zinc/53/78/24/426537824.db2.gz AFMGKHSSUTXNMY-SFHVURJKSA-N 2 1 304.478 2.990 20 0 DFADMP OCc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000272498595 426539645 /nfs/dbraw/zinc/53/96/45/426539645.db2.gz NQXOYQPRFCTPEZ-HKUYNNGSSA-N 2 1 300.446 2.628 20 0 DFADMP OCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000272498595 426539648 /nfs/dbraw/zinc/53/96/48/426539648.db2.gz NQXOYQPRFCTPEZ-HKUYNNGSSA-N 2 1 300.446 2.628 20 0 DFADMP OCc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000272498595 426539656 /nfs/dbraw/zinc/53/96/56/426539656.db2.gz NQXOYQPRFCTPEZ-HKUYNNGSSA-N 2 1 300.446 2.628 20 0 DFADMP C/C=C/C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000186516741 426541988 /nfs/dbraw/zinc/54/19/88/426541988.db2.gz FCBBGDRWSBJOPO-PHXNAMCJSA-N 2 1 320.452 2.749 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000177956112 426546159 /nfs/dbraw/zinc/54/61/59/426546159.db2.gz DHEFZULVKBHMQS-KEYYUXOJSA-N 2 1 306.450 2.565 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@@H](O)CCC(C)C)C2)[nH+]1 ZINC000280317797 426547313 /nfs/dbraw/zinc/54/73/13/426547313.db2.gz PBNXPZSWJZQIFZ-SJORKVTESA-N 2 1 305.466 2.921 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)CCC(C)C)C2)[nH+]1 ZINC000280317797 426547317 /nfs/dbraw/zinc/54/73/17/426547317.db2.gz PBNXPZSWJZQIFZ-SJORKVTESA-N 2 1 305.466 2.921 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000177963489 426547567 /nfs/dbraw/zinc/54/75/67/426547567.db2.gz OSDURXYKQBWION-LZWOXQAQSA-N 2 1 306.450 2.707 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000177963489 426547571 /nfs/dbraw/zinc/54/75/71/426547571.db2.gz OSDURXYKQBWION-LZWOXQAQSA-N 2 1 306.450 2.707 20 0 DFADMP Cc1nccn1CCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325739 426548897 /nfs/dbraw/zinc/54/88/97/426548897.db2.gz GXULQIAKBCWULN-BGYRXZFFSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325739 426548903 /nfs/dbraw/zinc/54/89/03/426548903.db2.gz GXULQIAKBCWULN-BGYRXZFFSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280325739 426548910 /nfs/dbraw/zinc/54/89/10/426548910.db2.gz GXULQIAKBCWULN-BGYRXZFFSA-N 3 1 324.472 2.645 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C12CCOCC2 ZINC000186234692 426496022 /nfs/dbraw/zinc/49/60/22/426496022.db2.gz OJXDFLUBRPHHGE-OKZBNKHCSA-N 2 1 324.509 2.671 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195136307 426501833 /nfs/dbraw/zinc/50/18/33/426501833.db2.gz HCRMZRALENMXEA-MJGOQNOKSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321349 426504266 /nfs/dbraw/zinc/50/42/66/426504266.db2.gz FSNRUUGKPDLDJO-AITUJVMLSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H]([NH2+]CCCn1cccn1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272652366 426571627 /nfs/dbraw/zinc/57/16/27/426571627.db2.gz KQOVIQXQDHSIMV-PKOBYXMFSA-N 2 1 312.461 2.773 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289226245 426608715 /nfs/dbraw/zinc/60/87/15/426608715.db2.gz JSQLWNAXTKHKBM-RDJZCZTQSA-N 2 1 318.461 2.686 20 0 DFADMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178332830 426609118 /nfs/dbraw/zinc/60/91/18/426609118.db2.gz BLGAGSSHIWNFPN-NVXWUHKLSA-N 2 1 320.481 2.741 20 0 DFADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000178332830 426609120 /nfs/dbraw/zinc/60/91/20/426609120.db2.gz BLGAGSSHIWNFPN-NVXWUHKLSA-N 2 1 320.481 2.741 20 0 DFADMP C[N@@H+](C[C@@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH+](C)C1 ZINC000280391459 426564301 /nfs/dbraw/zinc/56/43/01/426564301.db2.gz WWNDNULQZZOKMX-XLIONFOSSA-N 2 1 312.457 2.627 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000178444441 426631745 /nfs/dbraw/zinc/63/17/45/426631745.db2.gz JRRUNDJULNTKCK-MVHVFESUSA-N 2 1 313.489 2.802 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000178444441 426631748 /nfs/dbraw/zinc/63/17/48/426631748.db2.gz JRRUNDJULNTKCK-MVHVFESUSA-N 2 1 313.489 2.802 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]21 ZINC000228474384 426632114 /nfs/dbraw/zinc/63/21/14/426632114.db2.gz PWGCWPHWBIVESN-NILFDRSVSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]21 ZINC000228474384 426632119 /nfs/dbraw/zinc/63/21/19/426632119.db2.gz PWGCWPHWBIVESN-NILFDRSVSA-N 2 1 304.825 2.547 20 0 DFADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000178469103 426634902 /nfs/dbraw/zinc/63/49/02/426634902.db2.gz IJBAEDKICPOTKY-UKRRQHHQSA-N 2 1 323.506 2.911 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000178469113 426635590 /nfs/dbraw/zinc/63/55/90/426635590.db2.gz IJBAEDKICPOTKY-DZGCQCFKSA-N 2 1 323.506 2.911 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CCSCC2)CC1 ZINC000187275549 426644875 /nfs/dbraw/zinc/64/48/75/426644875.db2.gz LTGVIOPXYHBPNB-HNNXBMFYSA-N 2 1 314.539 2.997 20 0 DFADMP CC1(C)C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000178519332 426645187 /nfs/dbraw/zinc/64/51/87/426645187.db2.gz QAXBHYOTAOAHFG-YJBOKZPZSA-N 2 1 302.462 2.845 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc3ccccc3o2)CC1 ZINC000178529938 426649020 /nfs/dbraw/zinc/64/90/20/426649020.db2.gz NVGCAMCIEJIPFK-OAHLLOKOSA-N 2 1 316.445 2.957 20 0 DFADMP CN(CC[N@@H+](C)CCCCc1ccccc1)C1CC[NH+](C)CC1 ZINC000187363713 426653489 /nfs/dbraw/zinc/65/34/89/426653489.db2.gz ZTBAXAVMBPNIDT-UHFFFAOYSA-N 2 1 317.521 2.967 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1CC1 ZINC000289427943 426654691 /nfs/dbraw/zinc/65/46/91/426654691.db2.gz RLHOCQJHLCGQPT-RNQOJCNYSA-N 2 1 314.473 2.852 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1CC1 ZINC000289427943 426654695 /nfs/dbraw/zinc/65/46/95/426654695.db2.gz RLHOCQJHLCGQPT-RNQOJCNYSA-N 2 1 314.473 2.852 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1CC1 ZINC000289427943 426654698 /nfs/dbraw/zinc/65/46/98/426654698.db2.gz RLHOCQJHLCGQPT-RNQOJCNYSA-N 2 1 314.473 2.852 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](c1ccccc1)C2)C1CC1 ZINC000289427943 426654702 /nfs/dbraw/zinc/65/47/02/426654702.db2.gz RLHOCQJHLCGQPT-RNQOJCNYSA-N 2 1 314.473 2.852 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000289472224 426666332 /nfs/dbraw/zinc/66/63/32/426666332.db2.gz HLJNLOABZMNGCF-ROUUACIJSA-N 2 1 304.478 2.788 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000289472224 426666335 /nfs/dbraw/zinc/66/63/35/426666335.db2.gz HLJNLOABZMNGCF-ROUUACIJSA-N 2 1 304.478 2.788 20 0 DFADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)c(C)c1 ZINC000289482437 426666526 /nfs/dbraw/zinc/66/65/26/426666526.db2.gz YDPLYVPJYRGLON-WMZOPIPTSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)c(C)c1 ZINC000289482437 426666529 /nfs/dbraw/zinc/66/65/29/426666529.db2.gz YDPLYVPJYRGLON-WMZOPIPTSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c(C)c1 ZINC000289482437 426666532 /nfs/dbraw/zinc/66/65/32/426666532.db2.gz YDPLYVPJYRGLON-WMZOPIPTSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c(C)c1 ZINC000289482437 426666534 /nfs/dbraw/zinc/66/65/34/426666534.db2.gz YDPLYVPJYRGLON-WMZOPIPTSA-N 2 1 302.462 2.548 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000178634566 426667962 /nfs/dbraw/zinc/66/79/62/426667962.db2.gz PYJONMFCDLNGBD-XLIONFOSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000178634566 426667968 /nfs/dbraw/zinc/66/79/68/426667968.db2.gz PYJONMFCDLNGBD-XLIONFOSSA-N 2 1 315.505 2.971 20 0 DFADMP COC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000178716285 426680977 /nfs/dbraw/zinc/68/09/77/426680977.db2.gz YPTDHVBSZOZKGH-NVXWUHKLSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000178716285 426680982 /nfs/dbraw/zinc/68/09/82/426680982.db2.gz YPTDHVBSZOZKGH-NVXWUHKLSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178716285 426680987 /nfs/dbraw/zinc/68/09/87/426680987.db2.gz YPTDHVBSZOZKGH-NVXWUHKLSA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178716285 426680992 /nfs/dbraw/zinc/68/09/92/426680992.db2.gz YPTDHVBSZOZKGH-NVXWUHKLSA-N 2 1 304.434 2.534 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000236763822 426684333 /nfs/dbraw/zinc/68/43/33/426684333.db2.gz VBGZLLWFJHBSHL-YJBOKZPZSA-N 2 1 317.477 2.518 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000236767630 426684506 /nfs/dbraw/zinc/68/45/06/426684506.db2.gz XIDRIGNKGBXTGQ-QAPCUYQASA-N 2 1 317.477 2.661 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc([S@](C)=O)cc1 ZINC000178410778 426624309 /nfs/dbraw/zinc/62/43/09/426624309.db2.gz YZHUGKKNUDCABR-VFNWGFHPSA-N 2 1 308.491 2.951 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc([S@@](C)=O)cc1 ZINC000178410792 426625117 /nfs/dbraw/zinc/62/51/17/426625117.db2.gz YZHUGKKNUDCABR-YCRPNKLZSA-N 2 1 308.491 2.951 20 0 DFADMP C[N@@H+]1CCC[C@H]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000178444449 426630595 /nfs/dbraw/zinc/63/05/95/426630595.db2.gz JRRUNDJULNTKCK-MRSBXDGLSA-N 2 1 313.489 2.802 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000178444449 426630599 /nfs/dbraw/zinc/63/05/99/426630599.db2.gz JRRUNDJULNTKCK-MRSBXDGLSA-N 2 1 313.489 2.802 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236834754 426687928 /nfs/dbraw/zinc/68/79/28/426687928.db2.gz GZWJBWKTOMLKCS-ARFHVFGLSA-N 2 1 323.868 2.719 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236834754 426687932 /nfs/dbraw/zinc/68/79/32/426687932.db2.gz GZWJBWKTOMLKCS-ARFHVFGLSA-N 2 1 323.868 2.719 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000290145208 426703166 /nfs/dbraw/zinc/70/31/66/426703166.db2.gz KYBJVUJHGOXVDX-POGZOPGASA-N 2 1 302.462 2.910 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3cc(F)c(OC)cc32)CC1 ZINC000281233507 426707315 /nfs/dbraw/zinc/70/73/15/426707315.db2.gz MNGRQBKDJCTDCZ-KRWDZBQOSA-N 2 1 322.424 2.522 20 0 DFADMP C[C@H]1C[C@@H](NC(=O)CCCCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000237539910 426694592 /nfs/dbraw/zinc/69/45/92/426694592.db2.gz UXZZMEKYUTWUKY-FUHWJXTLSA-N 2 1 317.477 2.675 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000290112923 426695369 /nfs/dbraw/zinc/69/53/69/426695369.db2.gz SWOVRGOLCLKJBY-LJQANCHMSA-N 2 1 302.462 2.540 20 0 DFADMP [NH3+]Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000237970354 426701085 /nfs/dbraw/zinc/70/10/85/426701085.db2.gz HMIVYXREFMDOIV-IBGZPJMESA-N 2 1 323.440 2.540 20 0 DFADMP Cn1cc(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245727124 426766685 /nfs/dbraw/zinc/76/66/85/426766685.db2.gz PSDSQAJNRVHJHH-LDLYASANSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245727124 426766690 /nfs/dbraw/zinc/76/66/90/426766690.db2.gz PSDSQAJNRVHJHH-LDLYASANSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245727124 426766695 /nfs/dbraw/zinc/76/66/95/426766695.db2.gz PSDSQAJNRVHJHH-LDLYASANSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cc(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245727127 426768343 /nfs/dbraw/zinc/76/83/43/426768343.db2.gz PSDSQAJNRVHJHH-REPLKXPHSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000245727127 426768347 /nfs/dbraw/zinc/76/83/47/426768347.db2.gz PSDSQAJNRVHJHH-REPLKXPHSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cc(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245727127 426768350 /nfs/dbraw/zinc/76/83/50/426768350.db2.gz PSDSQAJNRVHJHH-REPLKXPHSA-N 2 1 310.445 2.705 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cncs1 ZINC000290520238 426783371 /nfs/dbraw/zinc/78/33/71/426783371.db2.gz YYJCNXAJKVCWQV-CYBMUJFWSA-N 2 1 320.462 2.719 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000290288729 426732588 /nfs/dbraw/zinc/73/25/88/426732588.db2.gz MQVDOLPGWFWASM-MANSERQUSA-N 2 1 300.446 2.666 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000245429366 426737299 /nfs/dbraw/zinc/73/72/99/426737299.db2.gz NBWNCCSMPUGYJC-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000245429366 426737303 /nfs/dbraw/zinc/73/73/03/426737303.db2.gz NBWNCCSMPUGYJC-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)[C@@H](C)C1 ZINC000245429366 426737306 /nfs/dbraw/zinc/73/73/06/426737306.db2.gz NBWNCCSMPUGYJC-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290320141 426740793 /nfs/dbraw/zinc/74/07/93/426740793.db2.gz CWXJIVLWUZCPKF-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290320141 426740796 /nfs/dbraw/zinc/74/07/96/426740796.db2.gz CWXJIVLWUZCPKF-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1F ZINC000245501693 426745194 /nfs/dbraw/zinc/74/51/94/426745194.db2.gz DFYJFXVQWOAKRZ-HOCLYGCPSA-N 2 1 324.440 2.722 20 0 DFADMP Cc1cc(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)cc[nH+]1 ZINC000274355045 426750398 /nfs/dbraw/zinc/75/03/98/426750398.db2.gz LPAFUGNXXMYVHU-IYBDPMFKSA-N 2 1 303.450 2.716 20 0 DFADMP CCn1nc(CN(C)[C@H]2CC[N@@H+](C)C[C@H]2C)c2ccccc21 ZINC000290405988 426757497 /nfs/dbraw/zinc/75/74/97/426757497.db2.gz JSPLKQCPLMLKRE-PBHICJAKSA-N 2 1 300.450 2.828 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245608510 426757676 /nfs/dbraw/zinc/75/76/76/426757676.db2.gz NPBVYUOZDPFYEP-INMHGKMJSA-N 2 1 320.481 2.597 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@H]1C ZINC000245608510 426757680 /nfs/dbraw/zinc/75/76/80/426757680.db2.gz NPBVYUOZDPFYEP-INMHGKMJSA-N 2 1 320.481 2.597 20 0 DFADMP CCN(CC(=O)NC[C@H](c1ccccc1Cl)N(C)C)C1CC1 ZINC000179151491 426758109 /nfs/dbraw/zinc/75/81/09/426758109.db2.gz BTLBEGVMMJRART-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP CC(C)n1ccc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000179176155 426765326 /nfs/dbraw/zinc/76/53/26/426765326.db2.gz VHJHETFZAQEUPY-QAPCUYQASA-N 2 1 302.466 2.913 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2cccs2)n1 ZINC000179734454 426813710 /nfs/dbraw/zinc/81/37/10/426813710.db2.gz ZGVGNELHZZSVOO-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2cccs2)n1 ZINC000179734454 426813713 /nfs/dbraw/zinc/81/37/13/426813713.db2.gz ZGVGNELHZZSVOO-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2cccs2)n1 ZINC000179734454 426813717 /nfs/dbraw/zinc/81/37/17/426813717.db2.gz ZGVGNELHZZSVOO-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2cccs2)n1 ZINC000179734454 426813721 /nfs/dbraw/zinc/81/37/21/426813721.db2.gz ZGVGNELHZZSVOO-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000290658103 426813921 /nfs/dbraw/zinc/81/39/21/426813921.db2.gz ZLWRQWXAJOGLHL-QGZVFWFLSA-N 2 1 316.445 2.622 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+]CCn2cc[nH+]c2C)cc1F ZINC000274690579 426819044 /nfs/dbraw/zinc/81/90/44/426819044.db2.gz UURGLGGKHNZHEE-ZDUSSCGKSA-N 2 1 305.397 2.808 20 0 DFADMP CC(C)(O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000274734222 426825956 /nfs/dbraw/zinc/82/59/56/426825956.db2.gz CUPJFBSYROTXIR-UHFFFAOYSA-N 2 1 302.462 2.878 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000189207827 426829231 /nfs/dbraw/zinc/82/92/31/426829231.db2.gz OJYJCWHLXKZVMU-LJQANCHMSA-N 2 1 319.468 2.736 20 0 DFADMP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000189207827 426829236 /nfs/dbraw/zinc/82/92/36/426829236.db2.gz OJYJCWHLXKZVMU-LJQANCHMSA-N 2 1 319.468 2.736 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000180010751 426831137 /nfs/dbraw/zinc/83/11/37/426831137.db2.gz NAYABOAAYANNEZ-VQHPVUNQSA-N 2 1 310.482 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274941694 426858106 /nfs/dbraw/zinc/85/81/06/426858106.db2.gz SZXHEBRXCKNBGO-KANFNMMFSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274802307 426839187 /nfs/dbraw/zinc/83/91/87/426839187.db2.gz RLMUSIKGXREWJD-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000246506557 426840691 /nfs/dbraw/zinc/84/06/91/426840691.db2.gz HYKDENQFQPNTBO-WMZOPIPTSA-N 2 1 317.477 2.702 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000246506557 426840695 /nfs/dbraw/zinc/84/06/95/426840695.db2.gz HYKDENQFQPNTBO-WMZOPIPTSA-N 2 1 317.477 2.702 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000246506557 426840699 /nfs/dbraw/zinc/84/06/99/426840699.db2.gz HYKDENQFQPNTBO-WMZOPIPTSA-N 2 1 317.477 2.702 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180165315 426841098 /nfs/dbraw/zinc/84/10/98/426841098.db2.gz MBEMJSNVAZOCAI-VNTMZGSJSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282232152 426858304 /nfs/dbraw/zinc/85/83/04/426858304.db2.gz FPLHKEPTGOZOIG-OAHLLOKOSA-N 2 1 307.457 2.545 20 0 DFADMP O[C@H](CNc1ccncc1Cl)C[N@H+]1CCc2ccccc2C1 ZINC000267251072 426856193 /nfs/dbraw/zinc/85/61/93/426856193.db2.gz IPBAIZGGWQLEFR-OAHLLOKOSA-N 2 1 317.820 2.566 20 0 DFADMP O[C@H](CNc1cc[nH+]cc1Cl)C[N@H+]1CCc2ccccc2C1 ZINC000267251072 426856206 /nfs/dbraw/zinc/85/62/06/426856206.db2.gz IPBAIZGGWQLEFR-OAHLLOKOSA-N 2 1 317.820 2.566 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000246050070 426793159 /nfs/dbraw/zinc/79/31/59/426793159.db2.gz VALMPTNGRGORFT-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCOCCOc2ccccc2)CC1 ZINC000337679397 426916886 /nfs/dbraw/zinc/91/68/86/426916886.db2.gz MQUDLNINQQBSOB-UHFFFAOYSA-N 2 1 320.477 2.887 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(CC[NH+](C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000275786284 426919661 /nfs/dbraw/zinc/91/96/61/426919661.db2.gz IMRSDZMNPPACIW-XHSDSOJGSA-N 2 1 317.477 2.991 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000295347938 426921353 /nfs/dbraw/zinc/92/13/53/426921353.db2.gz IJHSNRGYUYTXSO-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(F)c2Br)CC1 ZINC000295347938 426921361 /nfs/dbraw/zinc/92/13/61/426921361.db2.gz IJHSNRGYUYTXSO-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP Clc1cc2c(c(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)c1)OCC2 ZINC000275577459 426872395 /nfs/dbraw/zinc/87/23/95/426872395.db2.gz OVASWABLBWEZRA-LBPRGKRZSA-N 2 1 317.820 2.824 20 0 DFADMP Brc1cccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000275565770 426873329 /nfs/dbraw/zinc/87/33/29/426873329.db2.gz OCVUUQKOOZVFRF-CYBMUJFWSA-N 2 1 320.234 2.998 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)CC[N@@H+]1C ZINC000189503725 426873900 /nfs/dbraw/zinc/87/39/00/426873900.db2.gz HKIRBFGTJILFJY-WDEREUQCSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)CC[N@H+]1C ZINC000189503725 426873903 /nfs/dbraw/zinc/87/39/03/426873903.db2.gz HKIRBFGTJILFJY-WDEREUQCSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCOCC(F)(F)C(F)(F)F)CC[NH+]1C ZINC000189503725 426873909 /nfs/dbraw/zinc/87/39/09/426873909.db2.gz HKIRBFGTJILFJY-WDEREUQCSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCOCC(F)(F)C(F)(F)F)CC[NH+]1C ZINC000189503725 426873916 /nfs/dbraw/zinc/87/39/16/426873916.db2.gz HKIRBFGTJILFJY-WDEREUQCSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000305114465 426879042 /nfs/dbraw/zinc/87/90/42/426879042.db2.gz FCVYUPGEZYOISK-GOSISDBHSA-N 2 1 306.450 2.874 20 0 DFADMP CC[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305111231 426879471 /nfs/dbraw/zinc/87/94/71/426879471.db2.gz FZIOMUIPVVDKOH-KRWDZBQOSA-N 2 1 308.441 2.583 20 0 DFADMP O[C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000305130816 426885541 /nfs/dbraw/zinc/88/55/41/426885541.db2.gz JVBXYBZSXKNHOR-AZUAARDMSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@@H](C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1ccc(F)cc1 ZINC000275641547 426885600 /nfs/dbraw/zinc/88/56/00/426885600.db2.gz AOUAAPPYRFKXNU-HOTGVXAUSA-N 2 1 322.468 2.954 20 0 DFADMP CC(C)[C@@H](O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305156613 426890189 /nfs/dbraw/zinc/89/01/89/426890189.db2.gz QFQVHZLUAJSNCQ-IBGZPJMESA-N 2 1 322.468 2.829 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247014953 426891748 /nfs/dbraw/zinc/89/17/48/426891748.db2.gz LTWIQESEVCRGTP-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247014953 426891752 /nfs/dbraw/zinc/89/17/52/426891752.db2.gz LTWIQESEVCRGTP-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247014953 426891760 /nfs/dbraw/zinc/89/17/60/426891760.db2.gz LTWIQESEVCRGTP-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)[C@@H](C)C1 ZINC000247014953 426891765 /nfs/dbraw/zinc/89/17/65/426891765.db2.gz LTWIQESEVCRGTP-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000314006015 426925855 /nfs/dbraw/zinc/92/58/55/426925855.db2.gz QAVAENVFTDVOSD-ZDUSSCGKSA-N 2 1 303.406 2.721 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000247066110 426898277 /nfs/dbraw/zinc/89/82/77/426898277.db2.gz PNUUTWFEFICJLL-WMZOPIPTSA-N 2 1 317.477 2.986 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000247066110 426898283 /nfs/dbraw/zinc/89/82/83/426898283.db2.gz PNUUTWFEFICJLL-WMZOPIPTSA-N 2 1 317.477 2.986 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2C)[C@@H](C)C1 ZINC000247066110 426898289 /nfs/dbraw/zinc/89/82/89/426898289.db2.gz PNUUTWFEFICJLL-WMZOPIPTSA-N 2 1 317.477 2.986 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCC[C@H](C)C1 ZINC000268144576 426925964 /nfs/dbraw/zinc/92/59/64/426925964.db2.gz QLTQTCSACDEBNZ-UONOGXRCSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000268144576 426925971 /nfs/dbraw/zinc/92/59/71/426925971.db2.gz QLTQTCSACDEBNZ-UONOGXRCSA-N 2 1 323.506 2.660 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3ccccc3)C2)CC1 ZINC000247125058 426907002 /nfs/dbraw/zinc/90/70/02/426907002.db2.gz ODEPZAKIJKWOGH-PKOBYXMFSA-N 2 1 301.478 2.502 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282417676 426907289 /nfs/dbraw/zinc/90/72/89/426907289.db2.gz SKAYTHRUWYRZFJ-INIZCTEOSA-N 2 1 319.493 2.762 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000247172398 426911755 /nfs/dbraw/zinc/91/17/55/426911755.db2.gz YRAGCCDGMCXHQU-RWQQGDIJSA-N 2 1 303.494 2.916 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247172398 426911761 /nfs/dbraw/zinc/91/17/61/426911761.db2.gz YRAGCCDGMCXHQU-RWQQGDIJSA-N 2 1 303.494 2.916 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247172398 426911767 /nfs/dbraw/zinc/91/17/67/426911767.db2.gz YRAGCCDGMCXHQU-RWQQGDIJSA-N 2 1 303.494 2.916 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)CC[N@@H+]1C ZINC000181540000 426960698 /nfs/dbraw/zinc/96/06/98/426960698.db2.gz NUPQDMXHMDZHRN-NEPJUHHUSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncccc2C(F)(F)F)CC[N@H+]1C ZINC000181540000 426960703 /nfs/dbraw/zinc/96/07/03/426960703.db2.gz NUPQDMXHMDZHRN-NEPJUHHUSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](c1cccc(F)c1)N(C)C ZINC000248048318 426973897 /nfs/dbraw/zinc/97/38/97/426973897.db2.gz VVEHBQKUZZQMJP-KJWYOANISA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000248043564 426974836 /nfs/dbraw/zinc/97/48/36/426974836.db2.gz UIOLLRAPUQZPBS-NZSAHSFTSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000323623276 426975455 /nfs/dbraw/zinc/97/54/55/426975455.db2.gz DCDZKBSMMSABNN-YLJYHZDGSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(c2ccccc2)C1 ZINC000248067426 426978039 /nfs/dbraw/zinc/97/80/39/426978039.db2.gz MHUUUZHWNJMCEP-VXIBKDFQSA-N 2 1 301.478 2.974 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933743 426984141 /nfs/dbraw/zinc/98/41/41/426984141.db2.gz ASDGMXONYKJXRZ-OUCADQQQSA-N 2 1 308.388 2.542 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCCO2 ZINC000248215792 426986108 /nfs/dbraw/zinc/98/61/08/426986108.db2.gz ZPRYVOGAAHCYRA-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000314692128 426930567 /nfs/dbraw/zinc/93/05/67/426930567.db2.gz IOZAZAIIFWGMOD-JKSUJKDBSA-N 2 1 303.450 2.671 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000314821097 426931454 /nfs/dbraw/zinc/93/14/54/426931454.db2.gz ZHGFFIJFNBHSGU-QAPCUYQASA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000314821097 426931462 /nfs/dbraw/zinc/93/14/62/426931462.db2.gz ZHGFFIJFNBHSGU-QAPCUYQASA-N 2 1 304.434 2.668 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+](C)C ZINC000291804121 426993590 /nfs/dbraw/zinc/99/35/90/426993590.db2.gz XOJKIZCGURWZFA-AOIWGVFYSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C[NH+](C)C ZINC000291804121 426993598 /nfs/dbraw/zinc/99/35/98/426993598.db2.gz XOJKIZCGURWZFA-AOIWGVFYSA-N 3 1 303.494 2.827 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000316186960 426943928 /nfs/dbraw/zinc/94/39/28/426943928.db2.gz SYBDTWBIRSCJHE-UHFFFAOYSA-N 2 1 320.824 2.951 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000248901813 427060599 /nfs/dbraw/zinc/06/05/99/427060599.db2.gz ZCWGWPKGSAKKQO-CVEARBPZSA-N 2 1 317.477 2.662 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)Cc1ccc(C)cc1 ZINC000181971460 427001898 /nfs/dbraw/zinc/00/18/98/427001898.db2.gz VTBWOSDRKWOKHL-UHFFFAOYSA-N 2 1 301.434 2.775 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)Cc1ccc(C)cc1 ZINC000181971460 427001902 /nfs/dbraw/zinc/00/19/02/427001902.db2.gz VTBWOSDRKWOKHL-UHFFFAOYSA-N 2 1 301.434 2.775 20 0 DFADMP CC(C)N1CCC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000248537721 427009434 /nfs/dbraw/zinc/00/94/34/427009434.db2.gz ACDIKZFXLIELPR-XYJFISCASA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248559912 427013780 /nfs/dbraw/zinc/01/37/80/427013780.db2.gz JDIVAQRXEQGDQL-IKGGRYGDSA-N 2 1 323.525 2.780 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248559912 427013787 /nfs/dbraw/zinc/01/37/87/427013787.db2.gz JDIVAQRXEQGDQL-IKGGRYGDSA-N 2 1 323.525 2.780 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248608860 427021701 /nfs/dbraw/zinc/02/17/01/427021701.db2.gz HBLRSAGPCDPOTP-SZMVWBNQSA-N 2 1 316.445 2.625 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248616255 427022706 /nfs/dbraw/zinc/02/27/06/427022706.db2.gz ZATOPHKBJRLVEA-XUWVNRHRSA-N 2 1 309.498 2.532 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248616255 427022715 /nfs/dbraw/zinc/02/27/15/427022715.db2.gz ZATOPHKBJRLVEA-XUWVNRHRSA-N 2 1 309.498 2.532 20 0 DFADMP CCn1cc(CC[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000276278015 427023656 /nfs/dbraw/zinc/02/36/56/427023656.db2.gz FHYLHCKNUHUWGS-INIZCTEOSA-N 2 1 313.449 2.583 20 0 DFADMP CCn1cc(CC[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000276278015 427023663 /nfs/dbraw/zinc/02/36/63/427023663.db2.gz FHYLHCKNUHUWGS-INIZCTEOSA-N 2 1 313.449 2.583 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(CC)CCC[NH2+]2)C1 ZINC000248755859 427039402 /nfs/dbraw/zinc/03/94/02/427039402.db2.gz VDCYCJBNDJONGZ-MAUKXSAKSA-N 2 1 309.498 2.535 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000291990441 427048174 /nfs/dbraw/zinc/04/81/74/427048174.db2.gz ABGHOBMIVGUYAO-HNNXBMFYSA-N 2 1 317.477 2.912 20 0 DFADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000292097342 427088689 /nfs/dbraw/zinc/08/86/89/427088689.db2.gz OAMDRMBQHIFCAX-SJLPKXTDSA-N 2 1 317.477 2.532 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000292108460 427091615 /nfs/dbraw/zinc/09/16/15/427091615.db2.gz ISXJJOBHMFYOQT-KRWDZBQOSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000292108460 427091623 /nfs/dbraw/zinc/09/16/23/427091623.db2.gz ISXJJOBHMFYOQT-KRWDZBQOSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000292108460 427091627 /nfs/dbraw/zinc/09/16/27/427091627.db2.gz ISXJJOBHMFYOQT-KRWDZBQOSA-N 2 1 321.852 2.696 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CCCn2cc[nH+]c2C)CC1 ZINC000338017826 427094411 /nfs/dbraw/zinc/09/44/11/427094411.db2.gz MYXBJZFJDYACSR-UHFFFAOYSA-N 2 1 307.438 2.683 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C[C@H]1C ZINC000338020295 427097670 /nfs/dbraw/zinc/09/76/70/427097670.db2.gz YAFVPZWAAMJYMJ-FVQBIDKESA-N 2 1 307.438 2.539 20 0 DFADMP C[C@@H](C(=O)NCCC[NH+]1CCCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338029765 427099771 /nfs/dbraw/zinc/09/97/71/427099771.db2.gz OYLFRQURXYACRH-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP O[C@H](C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000249271635 427100125 /nfs/dbraw/zinc/10/01/25/427100125.db2.gz JGUFQKCMSSEHPF-CABCVRRESA-N 2 1 322.415 2.888 20 0 DFADMP O[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000249271635 427100130 /nfs/dbraw/zinc/10/01/30/427100130.db2.gz JGUFQKCMSSEHPF-CABCVRRESA-N 2 1 322.415 2.888 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](C[C@@H](O)CC(F)(F)F)C2)CC1 ZINC000249276291 427100387 /nfs/dbraw/zinc/10/03/87/427100387.db2.gz JYABPLGMFMQEGS-CABCVRRESA-N 2 1 322.415 2.744 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C2)CC1 ZINC000249276291 427100394 /nfs/dbraw/zinc/10/03/94/427100394.db2.gz JYABPLGMFMQEGS-CABCVRRESA-N 2 1 322.415 2.744 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)CC(F)(F)F)C2)CC1 ZINC000249276293 427102207 /nfs/dbraw/zinc/10/22/07/427102207.db2.gz JYABPLGMFMQEGS-GJZGRUSLSA-N 2 1 322.415 2.744 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)CC(F)(F)F)C2)CC1 ZINC000249276293 427102213 /nfs/dbraw/zinc/10/22/13/427102213.db2.gz JYABPLGMFMQEGS-GJZGRUSLSA-N 2 1 322.415 2.744 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000296191463 427107939 /nfs/dbraw/zinc/10/79/39/427107939.db2.gz YOLFNFXLQSALDD-GOSISDBHSA-N 2 1 317.477 2.766 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249393480 427111234 /nfs/dbraw/zinc/11/12/34/427111234.db2.gz SFJMHRBHZYFHCR-KKUMJFAQSA-N 2 1 322.415 2.934 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H](C(F)(F)F)C1 ZINC000249393472 427113098 /nfs/dbraw/zinc/11/30/98/427113098.db2.gz SFJMHRBHZYFHCR-ILXRZTDVSA-N 2 1 322.415 2.934 20 0 DFADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000338048268 427113563 /nfs/dbraw/zinc/11/35/63/427113563.db2.gz ANRHQTBZQKXZOA-QZWWFDLISA-N 2 1 323.525 2.874 20 0 DFADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338048271 427115658 /nfs/dbraw/zinc/11/56/58/427115658.db2.gz ANRHQTBZQKXZOA-VQHPVUNQSA-N 2 1 323.525 2.874 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1NC(C)=O ZINC000268789555 427115957 /nfs/dbraw/zinc/11/59/57/427115957.db2.gz GDXJZIZBZMFHST-GFCCVEGCSA-N 2 1 316.405 2.509 20 0 DFADMP CSc1ccc(OCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292162948 427116318 /nfs/dbraw/zinc/11/63/18/427116318.db2.gz OUVGHFAQWYKHQR-QGZVFWFLSA-N 2 1 306.475 2.815 20 0 DFADMP CSc1ccc(OCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292162948 427116324 /nfs/dbraw/zinc/11/63/24/427116324.db2.gz OUVGHFAQWYKHQR-QGZVFWFLSA-N 2 1 306.475 2.815 20 0 DFADMP CSc1ccc(OCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292162948 427116327 /nfs/dbraw/zinc/11/63/27/427116327.db2.gz OUVGHFAQWYKHQR-QGZVFWFLSA-N 2 1 306.475 2.815 20 0 DFADMP CSc1ccc(OCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292162948 427116335 /nfs/dbraw/zinc/11/63/35/427116335.db2.gz OUVGHFAQWYKHQR-QGZVFWFLSA-N 2 1 306.475 2.815 20 0 DFADMP C[C@H](C(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338053576 427118038 /nfs/dbraw/zinc/11/80/38/427118038.db2.gz VFLBQCXLZALHER-ILYVXUQDSA-N 2 1 323.525 2.874 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268799294 427121464 /nfs/dbraw/zinc/12/14/64/427121464.db2.gz ANVZWRNZTNPMNQ-HNNXBMFYSA-N 2 1 306.450 2.583 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000268828869 427132273 /nfs/dbraw/zinc/13/22/73/427132273.db2.gz ZZYSDKHVUJMBHN-DOTOQJQBSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCCOC)[C@@H](C)C1 ZINC000268828869 427132276 /nfs/dbraw/zinc/13/22/76/427132276.db2.gz ZZYSDKHVUJMBHN-DOTOQJQBSA-N 2 1 306.450 2.532 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292218864 427135591 /nfs/dbraw/zinc/13/55/91/427135591.db2.gz UWLVGXHKBJTFNP-LEWJYISDSA-N 2 1 324.468 2.771 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292218864 427135598 /nfs/dbraw/zinc/13/55/98/427135598.db2.gz UWLVGXHKBJTFNP-LEWJYISDSA-N 2 1 324.468 2.771 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220676 427136602 /nfs/dbraw/zinc/13/66/02/427136602.db2.gz UWLVGXHKBJTFNP-SFTDATJTSA-N 2 1 324.468 2.771 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220676 427136606 /nfs/dbraw/zinc/13/66/06/427136606.db2.gz UWLVGXHKBJTFNP-SFTDATJTSA-N 2 1 324.468 2.771 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220676 427136612 /nfs/dbraw/zinc/13/66/12/427136612.db2.gz UWLVGXHKBJTFNP-SFTDATJTSA-N 2 1 324.468 2.771 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCc2cccc(F)c2)CC1 ZINC000182752694 427137454 /nfs/dbraw/zinc/13/74/54/427137454.db2.gz BHSSLJNLYZRYRX-MRXNPFEDSA-N 2 1 322.468 2.783 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000268887502 427137566 /nfs/dbraw/zinc/13/75/66/427137566.db2.gz ZJAYHZNCUQYKFA-QWHCGFSZSA-N 2 1 316.367 2.813 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(Cc2ccccc2)[C@H](C)O)[C@H](C)C1 ZINC000249711712 427137717 /nfs/dbraw/zinc/13/77/17/427137717.db2.gz YORGDJFQHGSRJE-UMGGQSCQSA-N 2 1 318.505 2.936 20 0 DFADMP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+]1CCC[C@H](C)C1 ZINC000249740775 427141708 /nfs/dbraw/zinc/14/17/08/427141708.db2.gz IUXNNIPJJBQFKH-JKSUJKDBSA-N 2 1 317.477 2.598 20 0 DFADMP Fc1cccc2c1CC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000269044459 427149464 /nfs/dbraw/zinc/14/94/64/427149464.db2.gz WGVUAXJEWQKHII-IFXJQAMLSA-N 2 1 318.436 2.904 20 0 DFADMP C[N@@H+](CCCn1ccnc1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000182816509 427150624 /nfs/dbraw/zinc/15/06/24/427150624.db2.gz WTLWWSOYLLGVHL-UHFFFAOYSA-N 2 1 322.453 2.605 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)cc1)C(C)C ZINC000249958824 427153249 /nfs/dbraw/zinc/15/32/49/427153249.db2.gz JMGJGUQYLCQUPW-QAPCUYQASA-N 2 1 317.477 2.645 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000269296411 427163554 /nfs/dbraw/zinc/16/35/54/427163554.db2.gz WBVRIMHTEXSSFX-MSOLQXFVSA-N 2 1 317.477 2.776 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000195087947 271230151 /nfs/dbraw/zinc/23/01/51/271230151.db2.gz FUAZXBLGDQGBDD-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[NH+](C)CC2)cc1)C(C)C ZINC000265348058 271281062 /nfs/dbraw/zinc/28/10/62/271281062.db2.gz VXZKPEIMJNMDRY-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@H+](C)CC2)cc1)C(C)C ZINC000265348058 271281066 /nfs/dbraw/zinc/28/10/66/271281066.db2.gz VXZKPEIMJNMDRY-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N2CCC[N@@H+](C)CC2)cc1)C(C)C ZINC000265348058 271281069 /nfs/dbraw/zinc/28/10/69/271281069.db2.gz VXZKPEIMJNMDRY-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP COCCOCC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284281313 427171614 /nfs/dbraw/zinc/17/16/14/427171614.db2.gz XJWSDGLHAHHRHV-UHFFFAOYSA-N 2 1 320.477 2.682 20 0 DFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCc1ccnn1C ZINC000284280617 427171902 /nfs/dbraw/zinc/17/19/02/427171902.db2.gz FJSOBPKBIRZZAX-KRWDZBQOSA-N 2 1 323.444 2.785 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000296404582 427172673 /nfs/dbraw/zinc/17/26/73/427172673.db2.gz KQWMUCANGFALRG-ZBHOBAHQSA-N 2 1 301.434 2.921 20 0 DFADMP C[NH+](C)[C@H]1CCC[C@@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280797362 271326739 /nfs/dbraw/zinc/32/67/39/271326739.db2.gz GYNXCABQPXVGEV-WBVHZDCISA-N 2 1 316.424 2.974 20 0 DFADMP CCCc1cc(N2CC[N@@H+](CCO)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000302409801 271363178 /nfs/dbraw/zinc/36/31/78/271363178.db2.gz LIKGNRPBHDSKTO-OAHLLOKOSA-N 2 1 313.445 2.690 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+]2CCCC[C@H]2C1 ZINC000303313421 271364304 /nfs/dbraw/zinc/36/43/04/271364304.db2.gz PNTHVLJPSJPGHG-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)[C@H]2C)cc1 ZINC000338183126 427178222 /nfs/dbraw/zinc/17/82/22/427178222.db2.gz ACSCFYJUQZPPCB-YJBOKZPZSA-N 2 1 317.477 2.741 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cn1 ZINC000190800280 427180187 /nfs/dbraw/zinc/18/01/87/427180187.db2.gz FHCIFXWIGKMIQU-INIZCTEOSA-N 2 1 304.482 2.749 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2nccn2C)C[N@H+]1Cc1ccccc1 ZINC000338197603 427187264 /nfs/dbraw/zinc/18/72/64/427187264.db2.gz OZBMOKGGPAXBHO-SJLPKXTDSA-N 2 1 312.461 2.810 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NCC(C)C)cc1 ZINC000183143396 427210528 /nfs/dbraw/zinc/21/05/28/427210528.db2.gz UGBMQSVGFFNALP-CQSZACIVSA-N 2 1 314.433 2.604 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292978614 427210682 /nfs/dbraw/zinc/21/06/82/427210682.db2.gz MWQYAHAWEJHEFC-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000292978614 427210689 /nfs/dbraw/zinc/21/06/89/427210689.db2.gz MWQYAHAWEJHEFC-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)cc1 ZINC000292978614 427210697 /nfs/dbraw/zinc/21/06/97/427210697.db2.gz MWQYAHAWEJHEFC-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000292978614 427210704 /nfs/dbraw/zinc/21/07/04/427210704.db2.gz MWQYAHAWEJHEFC-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP C[C@H](O)CC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142266 427210944 /nfs/dbraw/zinc/21/09/44/427210944.db2.gz SJVOZGCFDJLRJE-WNHJNPCNSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330275782 427211563 /nfs/dbraw/zinc/21/15/63/427211563.db2.gz LZCNXPRJDUINDT-RBSFLKMASA-N 2 1 318.465 2.767 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)o1 ZINC000190953547 427211581 /nfs/dbraw/zinc/21/15/81/427211581.db2.gz MKQGTXOVLSPQDD-SNVBAGLBSA-N 2 1 312.211 2.973 20 0 DFADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000277468869 427213898 /nfs/dbraw/zinc/21/38/98/427213898.db2.gz LVNJPVRGPCUFIL-DLBZAZTESA-N 2 1 320.477 2.804 20 0 DFADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000277468869 427213901 /nfs/dbraw/zinc/21/39/01/427213901.db2.gz LVNJPVRGPCUFIL-DLBZAZTESA-N 2 1 320.477 2.804 20 0 DFADMP COCC1CCC([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)CC1 ZINC000296555216 427221268 /nfs/dbraw/zinc/22/12/68/427221268.db2.gz UVSRXDGOFIABBN-UHFFFAOYSA-N 2 1 314.433 2.871 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285404762 427224761 /nfs/dbraw/zinc/22/47/61/427224761.db2.gz FLKHMJKUCZQQHB-CKQIIDDLSA-N 2 1 310.388 2.555 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285404762 427224767 /nfs/dbraw/zinc/22/47/67/427224767.db2.gz FLKHMJKUCZQQHB-CKQIIDDLSA-N 2 1 310.388 2.555 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285404762 427224771 /nfs/dbraw/zinc/22/47/71/427224771.db2.gz FLKHMJKUCZQQHB-CKQIIDDLSA-N 2 1 310.388 2.555 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(F)cc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285404762 427224779 /nfs/dbraw/zinc/22/47/79/427224779.db2.gz FLKHMJKUCZQQHB-CKQIIDDLSA-N 2 1 310.388 2.555 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000338281800 427231541 /nfs/dbraw/zinc/23/15/41/427231541.db2.gz NYSGTKPQZFULAG-UHFFFAOYSA-N 2 1 307.486 2.587 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285441655 427232198 /nfs/dbraw/zinc/23/21/98/427232198.db2.gz IIFYLOHXVFAQPE-XYPWUTKMSA-N 2 1 302.418 2.515 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285441655 427232209 /nfs/dbraw/zinc/23/22/09/427232209.db2.gz IIFYLOHXVFAQPE-XYPWUTKMSA-N 2 1 302.418 2.515 20 0 DFADMP C[NH+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285441655 427232215 /nfs/dbraw/zinc/23/22/15/427232215.db2.gz IIFYLOHXVFAQPE-XYPWUTKMSA-N 2 1 302.418 2.515 20 0 DFADMP C[NH+](Cc1ccc2c(c1)OCCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285441655 427232219 /nfs/dbraw/zinc/23/22/19/427232219.db2.gz IIFYLOHXVFAQPE-XYPWUTKMSA-N 2 1 302.418 2.515 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC000338284019 427234692 /nfs/dbraw/zinc/23/46/92/427234692.db2.gz JBYROFVWVCECCE-KLHDSHLOSA-N 2 1 316.436 2.995 20 0 DFADMP COC(=O)c1ccccc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285462367 427240915 /nfs/dbraw/zinc/24/09/15/427240915.db2.gz JWPSQBJVJUOKQX-SJPCQFCGSA-N 2 1 316.445 2.573 20 0 DFADMP COC(=O)c1ccccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285462367 427240919 /nfs/dbraw/zinc/24/09/19/427240919.db2.gz JWPSQBJVJUOKQX-SJPCQFCGSA-N 2 1 316.445 2.573 20 0 DFADMP COC(=O)c1ccccc1CC[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285462367 427240928 /nfs/dbraw/zinc/24/09/28/427240928.db2.gz JWPSQBJVJUOKQX-SJPCQFCGSA-N 2 1 316.445 2.573 20 0 DFADMP C[NH+]1CCN(C(=O)CC[NH+](CC(C)(C)C)CC(C)(C)C)CC1 ZINC000338293217 427242356 /nfs/dbraw/zinc/24/23/56/427242356.db2.gz SRFDDRIIZYJBEP-UHFFFAOYSA-N 2 1 311.514 2.545 20 0 DFADMP Cc1sccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000293215954 427249076 /nfs/dbraw/zinc/24/90/76/427249076.db2.gz JOWQKNZNYYFEGP-GOSISDBHSA-N 2 1 316.470 2.913 20 0 DFADMP C[N@H+](C[C@H](O)c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285568026 427274871 /nfs/dbraw/zinc/27/48/71/427274871.db2.gz SEEPWUWCGMKWMJ-CKQIIDDLSA-N 2 1 308.853 2.930 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285568026 427274877 /nfs/dbraw/zinc/27/48/77/427274877.db2.gz SEEPWUWCGMKWMJ-CKQIIDDLSA-N 2 1 308.853 2.930 20 0 DFADMP C[NH+](C[C@H](O)c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285568026 427274881 /nfs/dbraw/zinc/27/48/81/427274881.db2.gz SEEPWUWCGMKWMJ-CKQIIDDLSA-N 2 1 308.853 2.930 20 0 DFADMP C[NH+](C[C@H](O)c1ccccc1Cl)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285568026 427274886 /nfs/dbraw/zinc/27/48/86/427274886.db2.gz SEEPWUWCGMKWMJ-CKQIIDDLSA-N 2 1 308.853 2.930 20 0 DFADMP C[C@@H]1CCN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261722170 427339347 /nfs/dbraw/zinc/33/93/47/427339347.db2.gz GBEPZGAFMYCOBV-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP CC1CCN(C(=[NH2+])NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000261887130 427344055 /nfs/dbraw/zinc/34/40/55/427344055.db2.gz SDGUWIFOBYYIQV-HNNXBMFYSA-N 2 1 304.438 2.673 20 0 DFADMP CN(Cc1ccnc(Br)c1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000293500040 427346727 /nfs/dbraw/zinc/34/67/27/427346727.db2.gz HGLCFWRTZVODLH-PBWFPOADSA-N 2 1 324.266 2.901 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1)C(C)C ZINC000262918389 427380049 /nfs/dbraw/zinc/38/00/49/427380049.db2.gz ZDPXCCJEOVJRGT-YJBOKZPZSA-N 2 1 317.477 2.645 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000338566002 427382404 /nfs/dbraw/zinc/38/24/04/427382404.db2.gz OMNRJMVCXZWNFU-WJFTUGDTSA-N 2 1 318.461 2.558 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620146 427385188 /nfs/dbraw/zinc/38/51/88/427385188.db2.gz HACHJLDNUFPUCO-KSSFIOAISA-N 2 1 316.445 2.998 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293692619 427406542 /nfs/dbraw/zinc/40/65/42/427406542.db2.gz KZLCPTDSINREIC-KRWDZBQOSA-N 2 1 304.434 2.998 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)/C=C/C[NH+](C)C)c2C1 ZINC000271118063 427406837 /nfs/dbraw/zinc/40/68/37/427406837.db2.gz CTSKLDFQYYDQJY-RMKNXTFCSA-N 2 1 301.434 2.715 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)c1ccc(C(=O)OC)cc1 ZINC000293692627 427407274 /nfs/dbraw/zinc/40/72/74/427407274.db2.gz KZLCPTDSINREIC-QGZVFWFLSA-N 2 1 304.434 2.998 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@@H](O)c2cccnc2)C1 ZINC000297500887 427408531 /nfs/dbraw/zinc/40/85/31/427408531.db2.gz NDBWKYFAWNKLRT-ZHALLVOQSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2cccnc2)C1 ZINC000297500887 427408539 /nfs/dbraw/zinc/40/85/39/427408539.db2.gz NDBWKYFAWNKLRT-ZHALLVOQSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@@H](O)c2cccnc2)C1 ZINC000297500887 427408544 /nfs/dbraw/zinc/40/85/44/427408544.db2.gz NDBWKYFAWNKLRT-ZHALLVOQSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@@H](O)c2cccnc2)C1 ZINC000297500887 427408552 /nfs/dbraw/zinc/40/85/52/427408552.db2.gz NDBWKYFAWNKLRT-ZHALLVOQSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@@H](O)c2cccnc2)C1 ZINC000297500887 427408554 /nfs/dbraw/zinc/40/85/54/427408554.db2.gz NDBWKYFAWNKLRT-ZHALLVOQSA-N 2 1 317.477 2.701 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000191489833 427361292 /nfs/dbraw/zinc/36/12/92/427361292.db2.gz FWPALVAGSXJFLN-MJGOQNOKSA-N 2 1 313.445 2.816 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000191489833 427361297 /nfs/dbraw/zinc/36/12/97/427361297.db2.gz FWPALVAGSXJFLN-MJGOQNOKSA-N 2 1 313.445 2.816 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@@H]1O ZINC000191489833 427361305 /nfs/dbraw/zinc/36/13/05/427361305.db2.gz FWPALVAGSXJFLN-MJGOQNOKSA-N 2 1 313.445 2.816 20 0 DFADMP COc1ccc(OC)c(C[N@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000262529720 427362385 /nfs/dbraw/zinc/36/23/85/427362385.db2.gz PKECCOFQJJNJRL-AWEZNQCLSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000262529720 427362393 /nfs/dbraw/zinc/36/23/93/427362393.db2.gz PKECCOFQJJNJRL-AWEZNQCLSA-N 2 1 304.434 2.668 20 0 DFADMP Cn1cncc1CC[N@H+]1CCO[C@H](c2ccc(Cl)cc2)C1 ZINC000297779769 427453726 /nfs/dbraw/zinc/45/37/26/427453726.db2.gz MOFRGQGPHVPFMQ-INIZCTEOSA-N 2 1 305.809 2.690 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3c2cccc3F)CCCO1 ZINC000278807484 427461507 /nfs/dbraw/zinc/46/15/07/427461507.db2.gz ZOAAQJGAQZRFOS-KBXCAEBGSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3c2cccc3F)CCCO1 ZINC000278807484 427461510 /nfs/dbraw/zinc/46/15/10/427461510.db2.gz ZOAAQJGAQZRFOS-KBXCAEBGSA-N 2 1 306.425 2.904 20 0 DFADMP CC(C)C[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271284196 427483747 /nfs/dbraw/zinc/48/37/47/427483747.db2.gz OOKCKZXCRWIULF-IBGZPJMESA-N 2 1 301.478 2.535 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1O ZINC000297926177 427486799 /nfs/dbraw/zinc/48/67/99/427486799.db2.gz UDKVDJUCDXLLAP-CVEARBPZSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)ccc1O ZINC000297926177 427486805 /nfs/dbraw/zinc/48/68/05/427486805.db2.gz UDKVDJUCDXLLAP-CVEARBPZSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)ccc1O ZINC000297926177 427486813 /nfs/dbraw/zinc/48/68/13/427486813.db2.gz UDKVDJUCDXLLAP-CVEARBPZSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)ccc1O ZINC000297926177 427486821 /nfs/dbraw/zinc/48/68/21/427486821.db2.gz UDKVDJUCDXLLAP-CVEARBPZSA-N 2 1 304.434 2.707 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184241187 427423796 /nfs/dbraw/zinc/42/37/96/427423796.db2.gz XYULZHGYFKRVBD-MRXNPFEDSA-N 2 1 309.498 2.619 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000263185997 427432339 /nfs/dbraw/zinc/43/23/39/427432339.db2.gz HHHSNKFXVUFTEJ-SZVBFZGTSA-N 2 1 317.477 2.531 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C(C2CCC2)C2CCC2)CC1 ZINC000338691289 427440234 /nfs/dbraw/zinc/44/02/34/427440234.db2.gz GGPIFESNXLETGB-UHFFFAOYSA-N 2 1 307.526 2.963 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)[C@@H](C)C1 ZINC000271190478 427442724 /nfs/dbraw/zinc/44/27/24/427442724.db2.gz LISZQOZXEPAPNJ-DZGCQCFKSA-N 2 1 320.433 2.586 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)[C@@H](C)C1 ZINC000271190478 427442731 /nfs/dbraw/zinc/44/27/31/427442731.db2.gz LISZQOZXEPAPNJ-DZGCQCFKSA-N 2 1 320.433 2.586 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)[C@@H](C)C1 ZINC000271190478 427442736 /nfs/dbraw/zinc/44/27/36/427442736.db2.gz LISZQOZXEPAPNJ-DZGCQCFKSA-N 2 1 320.433 2.586 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)[C@@H](C)C1 ZINC000271190478 427442743 /nfs/dbraw/zinc/44/27/43/427442743.db2.gz LISZQOZXEPAPNJ-DZGCQCFKSA-N 2 1 320.433 2.586 20 0 DFADMP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000278930756 427504042 /nfs/dbraw/zinc/50/40/42/427504042.db2.gz LERCVDCGDRRSTO-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)nc(C)[nH+]1 ZINC000332099170 427511375 /nfs/dbraw/zinc/51/13/75/427511375.db2.gz CPBIBRCNCHZHPT-RDTXWAMCSA-N 2 1 318.465 2.609 20 0 DFADMP c1nn(-c2ccccc2)cc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298272193 427555033 /nfs/dbraw/zinc/55/50/33/427555033.db2.gz GKMRJUPLSGWMNI-UHFFFAOYSA-N 2 1 310.445 2.631 20 0 DFADMP COC(=O)c1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000263664862 427533279 /nfs/dbraw/zinc/53/32/79/427533279.db2.gz FGGDLSUEDXCYSW-UHFFFAOYSA-N 2 1 304.434 2.778 20 0 DFADMP COC(=O)c1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000263664862 427533288 /nfs/dbraw/zinc/53/32/88/427533288.db2.gz FGGDLSUEDXCYSW-UHFFFAOYSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)cc1 ZINC000294064179 427537320 /nfs/dbraw/zinc/53/73/20/427537320.db2.gz VFMPCCOUCDXJSM-IYBDPMFKSA-N 2 1 317.477 2.693 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437394 427537746 /nfs/dbraw/zinc/53/77/46/427537746.db2.gz RCASYOLNUQGKCW-UXHICEINSA-N 2 1 313.489 2.821 20 0 DFADMP Cc1cnn(C)c1CNCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000286680832 427541941 /nfs/dbraw/zinc/54/19/41/427541941.db2.gz VNBVGCUDUPZHPN-INIZCTEOSA-N 2 1 300.450 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000286680832 427541950 /nfs/dbraw/zinc/54/19/50/427541950.db2.gz VNBVGCUDUPZHPN-INIZCTEOSA-N 2 1 300.450 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000286680832 427541952 /nfs/dbraw/zinc/54/19/52/427541952.db2.gz VNBVGCUDUPZHPN-INIZCTEOSA-N 2 1 300.450 2.729 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271458282 427546696 /nfs/dbraw/zinc/54/66/96/427546696.db2.gz YIWRVEGEHRQQGK-SJORKVTESA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271458282 427546701 /nfs/dbraw/zinc/54/67/01/427546701.db2.gz YIWRVEGEHRQQGK-SJORKVTESA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H]1Cn1cnc2ccccc21 ZINC000271458282 427546707 /nfs/dbraw/zinc/54/67/07/427546707.db2.gz YIWRVEGEHRQQGK-SJORKVTESA-N 2 1 312.461 2.985 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](CC)C2)cc1 ZINC000263710597 427547684 /nfs/dbraw/zinc/54/76/84/427547684.db2.gz QMYSBMVWBVILNZ-QGZVFWFLSA-N 2 1 317.477 2.600 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnn1C ZINC000192818410 427618750 /nfs/dbraw/zinc/61/87/50/427618750.db2.gz HMLRAJSZMNPPSQ-WMZOPIPTSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnn1C ZINC000192818410 427618757 /nfs/dbraw/zinc/61/87/57/427618757.db2.gz HMLRAJSZMNPPSQ-WMZOPIPTSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnn1C ZINC000192818436 427619164 /nfs/dbraw/zinc/61/91/64/427619164.db2.gz HMLRAJSZMNPPSQ-FUHWJXTLSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnn1C ZINC000192818436 427619171 /nfs/dbraw/zinc/61/91/71/427619171.db2.gz HMLRAJSZMNPPSQ-FUHWJXTLSA-N 2 1 312.461 2.635 20 0 DFADMP COCc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000339009586 427621140 /nfs/dbraw/zinc/62/11/40/427621140.db2.gz LXKQVYVRMQMUCX-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP COCc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000339009586 427621146 /nfs/dbraw/zinc/62/11/46/427621146.db2.gz LXKQVYVRMQMUCX-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP COCc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000339009586 427621152 /nfs/dbraw/zinc/62/11/52/427621152.db2.gz LXKQVYVRMQMUCX-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP COCc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000339009586 427621158 /nfs/dbraw/zinc/62/11/58/427621158.db2.gz LXKQVYVRMQMUCX-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP COCc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000339009586 427621162 /nfs/dbraw/zinc/62/11/62/427621162.db2.gz LXKQVYVRMQMUCX-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000192517316 427556340 /nfs/dbraw/zinc/55/63/40/427556340.db2.gz KJYWTVKDBWNFSX-YQQAZPJKSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@H]1COCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000192517316 427556346 /nfs/dbraw/zinc/55/63/46/427556346.db2.gz KJYWTVKDBWNFSX-YQQAZPJKSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000271493857 427560032 /nfs/dbraw/zinc/56/00/32/427560032.db2.gz KVLCHBYHUAUBTQ-UYHISHBKSA-N 2 1 324.415 2.993 20 0 DFADMP C[C@H](O)CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000279152015 427575801 /nfs/dbraw/zinc/57/58/01/427575801.db2.gz SUDBMAKMYOLBOF-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000338952997 427583391 /nfs/dbraw/zinc/58/33/91/427583391.db2.gz AGTZAJAUEORXLE-UHFFFAOYSA-N 2 1 321.808 2.811 20 0 DFADMP COC(=O)C1(C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000279182760 427586076 /nfs/dbraw/zinc/58/60/76/427586076.db2.gz IPNLTHMBSVZIAQ-UHFFFAOYSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)C1(C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000279182760 427586082 /nfs/dbraw/zinc/58/60/82/427586082.db2.gz IPNLTHMBSVZIAQ-UHFFFAOYSA-N 2 1 316.445 2.536 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000192702890 427593784 /nfs/dbraw/zinc/59/37/84/427593784.db2.gz IAHFVHYKLRCQLC-NUJGCVRESA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000271912236 427595595 /nfs/dbraw/zinc/59/55/95/427595595.db2.gz YCAGWXHXFWYDGJ-XLIONFOSSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000271912236 427595604 /nfs/dbraw/zinc/59/56/04/427595604.db2.gz YCAGWXHXFWYDGJ-XLIONFOSSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000271912236 427595608 /nfs/dbraw/zinc/59/56/08/427595608.db2.gz YCAGWXHXFWYDGJ-XLIONFOSSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CCN1Cc1ccccc1 ZINC000271912236 427595614 /nfs/dbraw/zinc/59/56/14/427595614.db2.gz YCAGWXHXFWYDGJ-XLIONFOSSA-N 2 1 313.489 2.891 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCN1Cc1ccccc1 ZINC000271912236 427595620 /nfs/dbraw/zinc/59/56/20/427595620.db2.gz YCAGWXHXFWYDGJ-XLIONFOSSA-N 2 1 313.489 2.891 20 0 DFADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C)CC1 ZINC000287393854 427599400 /nfs/dbraw/zinc/59/94/00/427599400.db2.gz QIVKEDSLQSFNET-APWZRJJASA-N 2 1 301.478 2.723 20 0 DFADMP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000192880898 427630470 /nfs/dbraw/zinc/63/04/70/427630470.db2.gz AFSQBZDPXMWBSW-RHSMWYFYSA-N 2 1 304.434 2.748 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923621 427636514 /nfs/dbraw/zinc/63/65/14/427636514.db2.gz DIBPOLFZFMLWJU-IEBWSBKVSA-N 2 1 312.461 2.773 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N1CCC[NH+](C(C)C)CC1)c1ccccc1 ZINC000264031985 427638138 /nfs/dbraw/zinc/63/81/38/427638138.db2.gz MYPFVHOCPXKYKF-SFHVURJKSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N1CCC[NH+](C(C)C)CC1)c1ccccc1 ZINC000264031985 427638143 /nfs/dbraw/zinc/63/81/43/427638143.db2.gz MYPFVHOCPXKYKF-SFHVURJKSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@@H+](C(C)C)CC1)c1ccccc1 ZINC000264031985 427638147 /nfs/dbraw/zinc/63/81/47/427638147.db2.gz MYPFVHOCPXKYKF-SFHVURJKSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N1CCC[N@H+](C(C)C)CC1)c1ccccc1 ZINC000264031985 427638156 /nfs/dbraw/zinc/63/81/56/427638156.db2.gz MYPFVHOCPXKYKF-SFHVURJKSA-N 2 1 317.477 2.622 20 0 DFADMP c1[nH+]c(C2CC[NH+](CC3=CCCOC3)CC2)n2c1CCCC2 ZINC000279353076 427648842 /nfs/dbraw/zinc/64/88/42/427648842.db2.gz GKAUSKJHUKNDGJ-UHFFFAOYSA-N 2 1 301.434 2.746 20 0 DFADMP COc1ccccc1OC[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193059273 427658905 /nfs/dbraw/zinc/65/89/05/427658905.db2.gz VAVKXNKCBFTWOW-XYTVBORESA-N 2 1 318.461 2.925 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cc(C)ccc3n2)C[C@H]1C ZINC000342787343 272053613 /nfs/dbraw/zinc/05/36/13/272053613.db2.gz IXTCQRXFZOWYPV-WBVHZDCISA-N 2 1 300.450 2.947 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cc(C)ccc3n2)C[C@@H]1C ZINC000342787332 272053926 /nfs/dbraw/zinc/05/39/26/272053926.db2.gz IXTCQRXFZOWYPV-RDJZCZTQSA-N 2 1 300.450 2.947 20 0 DFADMP Cc1c[nH+]ccc1NC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccs1 ZINC000342992407 272074046 /nfs/dbraw/zinc/07/40/46/272074046.db2.gz VLWMEAIFAHRCBH-ZIAGYGMSSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1c[nH+]ccc1NC[C@H]1C[C@@H](F)C[N@H+]1Cc1cccs1 ZINC000342992407 272074048 /nfs/dbraw/zinc/07/40/48/272074048.db2.gz VLWMEAIFAHRCBH-ZIAGYGMSSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1csc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)n1 ZINC000343244057 272103282 /nfs/dbraw/zinc/10/32/82/272103282.db2.gz HLGIVANVBQMCTN-BZUAXINKSA-N 2 1 323.506 2.521 20 0 DFADMP CO[C@@H]1C[C@@H](CN(C)c2cc(C)[nH+]c3ccc(F)cc32)[N@@H+](C)C1 ZINC000343300288 272115415 /nfs/dbraw/zinc/11/54/15/272115415.db2.gz DXFFVQHLQIFZQA-LSDHHAIUSA-N 2 1 317.408 2.838 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@@H]1OCC[N@H+](C)[C@H]1c1ccccc1 ZINC000343320277 272117718 /nfs/dbraw/zinc/11/77/18/272117718.db2.gz LILZYMAMHASJFQ-OALUTQOASA-N 2 1 311.429 2.898 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@@H]1OCC[N@@H+](C)[C@H]1c1ccccc1 ZINC000343320277 272117720 /nfs/dbraw/zinc/11/77/20/272117720.db2.gz LILZYMAMHASJFQ-OALUTQOASA-N 2 1 311.429 2.898 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000287695239 427673853 /nfs/dbraw/zinc/67/38/53/427673853.db2.gz IXVOVLDQGVVSLG-DOTOQJQBSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000287695239 427673861 /nfs/dbraw/zinc/67/38/61/427673861.db2.gz IXVOVLDQGVVSLG-DOTOQJQBSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000287695239 427673869 /nfs/dbraw/zinc/67/38/69/427673869.db2.gz IXVOVLDQGVVSLG-DOTOQJQBSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000287695239 427673876 /nfs/dbraw/zinc/67/38/76/427673876.db2.gz IXVOVLDQGVVSLG-DOTOQJQBSA-N 2 1 303.450 2.623 20 0 DFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000343580104 272175559 /nfs/dbraw/zinc/17/55/59/272175559.db2.gz PKRALUDIVROXFI-MRXNPFEDSA-N 2 1 310.482 2.772 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000343580104 272175561 /nfs/dbraw/zinc/17/55/61/272175561.db2.gz PKRALUDIVROXFI-MRXNPFEDSA-N 2 1 310.482 2.772 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000343580104 272175563 /nfs/dbraw/zinc/17/55/63/272175563.db2.gz PKRALUDIVROXFI-MRXNPFEDSA-N 2 1 310.482 2.772 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000343580104 272175565 /nfs/dbraw/zinc/17/55/65/272175565.db2.gz PKRALUDIVROXFI-MRXNPFEDSA-N 2 1 310.482 2.772 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000339097659 427675675 /nfs/dbraw/zinc/67/56/75/427675675.db2.gz ZRIXDDYWZLHRQG-SFFUCWETSA-N 2 1 312.498 2.669 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000343655859 272194447 /nfs/dbraw/zinc/19/44/47/272194447.db2.gz IPJVUJOWBZQYCJ-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000343655859 272194449 /nfs/dbraw/zinc/19/44/49/272194449.db2.gz IPJVUJOWBZQYCJ-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000343655859 272194451 /nfs/dbraw/zinc/19/44/51/272194451.db2.gz IPJVUJOWBZQYCJ-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@H](O)C(C)(C)C)C1)CCCC2 ZINC000343690146 272201490 /nfs/dbraw/zinc/20/14/90/272201490.db2.gz MRNFJEYVTSHDIJ-YOEHRIQHSA-N 2 1 305.466 2.724 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@H](O)C(C)(C)C)C1)CCCC2 ZINC000343690146 272201492 /nfs/dbraw/zinc/20/14/92/272201492.db2.gz MRNFJEYVTSHDIJ-YOEHRIQHSA-N 2 1 305.466 2.724 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCOCCOc1ccccc1)CC2 ZINC000343719171 272207618 /nfs/dbraw/zinc/20/76/18/272207618.db2.gz URLNGRIWGWKNKL-UHFFFAOYSA-N 2 1 318.461 2.642 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCOCCOc1ccccc1)CC2 ZINC000343719171 272207620 /nfs/dbraw/zinc/20/76/20/272207620.db2.gz URLNGRIWGWKNKL-UHFFFAOYSA-N 2 1 318.461 2.642 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343730543 272209159 /nfs/dbraw/zinc/20/91/59/272209159.db2.gz OLNUXJWITQRVDX-HZPDHXFCSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000343833507 272227966 /nfs/dbraw/zinc/22/79/66/272227966.db2.gz ORKGLSOEYDNTSK-FUHWJXTLSA-N 2 1 302.462 2.543 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000343833507 272227968 /nfs/dbraw/zinc/22/79/68/272227968.db2.gz ORKGLSOEYDNTSK-FUHWJXTLSA-N 2 1 302.462 2.543 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000343983233 272247033 /nfs/dbraw/zinc/24/70/33/272247033.db2.gz ZFBFYVWGPQADBX-MJGOQNOKSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000343983233 272247036 /nfs/dbraw/zinc/24/70/36/272247036.db2.gz ZFBFYVWGPQADBX-MJGOQNOKSA-N 2 1 310.445 2.897 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1CCc2ccccc2C1)CC[NH+](C)C ZINC000344024354 272250397 /nfs/dbraw/zinc/25/03/97/272250397.db2.gz HZYAYNBBUBFDNR-SFHVURJKSA-N 2 1 317.521 2.607 20 0 DFADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000344045745 272252117 /nfs/dbraw/zinc/25/21/17/272252117.db2.gz GSDDCPCHXPZHCS-CWQOZTLDSA-N 2 1 324.509 2.669 20 0 DFADMP Fc1ccc2nc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)sc2c1 ZINC000344094807 272261481 /nfs/dbraw/zinc/26/14/81/272261481.db2.gz RGUMVIKLQQYTNX-NSHDSACASA-N 2 1 316.405 2.984 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cnc(C3CCC3)s1)C2 ZINC000344099778 272263194 /nfs/dbraw/zinc/26/31/94/272263194.db2.gz YMXPRROWWUEILF-LBPRGKRZSA-N 2 1 302.447 2.959 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([C@@H](C)[NH3+])C2)cc1)C(C)C ZINC000272241671 427682738 /nfs/dbraw/zinc/68/27/38/427682738.db2.gz KXTLPWYRGYQYPW-CRAIPNDOSA-N 2 1 317.477 2.726 20 0 DFADMP CCN1CCC([N@@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000344235051 272293236 /nfs/dbraw/zinc/29/32/36/272293236.db2.gz YLNRUPZWVFNZPC-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CCN1CCC([N@H+]2CCCN(C(=O)CC3CCCC3)CC2)CC1 ZINC000344235051 272293239 /nfs/dbraw/zinc/29/32/39/272293239.db2.gz YLNRUPZWVFNZPC-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000193313846 427684324 /nfs/dbraw/zinc/68/43/24/427684324.db2.gz DEHNEPPIGZXATQ-JFIYKMOQSA-N 2 1 317.477 2.625 20 0 DFADMP CC(C)[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000344568248 272339588 /nfs/dbraw/zinc/33/95/88/272339588.db2.gz DMQFFFOBHZJCET-FGTMMUONSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000344614942 272348521 /nfs/dbraw/zinc/34/85/21/272348521.db2.gz LOOIRFAIZXNMNW-BRWVUGGUSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC1([NH+](C)C)CCCCC1)c1ccccc1 ZINC000344632817 272349682 /nfs/dbraw/zinc/34/96/82/272349682.db2.gz SNMFDCCBGLCHAC-KRWDZBQOSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832623 272375289 /nfs/dbraw/zinc/37/52/89/272375289.db2.gz PBULRGKNMKFJFO-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832623 272375292 /nfs/dbraw/zinc/37/52/92/272375292.db2.gz PBULRGKNMKFJFO-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832623 272375295 /nfs/dbraw/zinc/37/52/95/272375295.db2.gz PBULRGKNMKFJFO-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185668545 427688235 /nfs/dbraw/zinc/68/82/35/427688235.db2.gz WOIFIDRJMGRWGI-GJZGRUSLSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000185668545 427688236 /nfs/dbraw/zinc/68/82/36/427688236.db2.gz WOIFIDRJMGRWGI-GJZGRUSLSA-N 2 1 303.450 2.833 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)c2ccsc2)CC1 ZINC000193479297 427693807 /nfs/dbraw/zinc/69/38/07/427693807.db2.gz JYGUJYXRGZLOPQ-UHFFFAOYSA-N 2 1 323.506 2.674 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287864801 427704971 /nfs/dbraw/zinc/70/49/71/427704971.db2.gz XQEUJNQDBXEKIW-CYBMUJFWSA-N 2 1 324.494 2.562 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2csc(-c3ccco3)n2)CC1 ZINC000336854213 427760853 /nfs/dbraw/zinc/76/08/53/427760853.db2.gz MUMLRQGWFGPQRC-UHFFFAOYSA-N 2 1 321.446 2.733 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000336857414 427761989 /nfs/dbraw/zinc/76/19/89/427761989.db2.gz SDTXUQHEDFPQSX-DLBZAZTESA-N 2 1 303.381 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000336857414 427761991 /nfs/dbraw/zinc/76/19/91/427761991.db2.gz SDTXUQHEDFPQSX-DLBZAZTESA-N 2 1 303.381 2.529 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](CCO)[C@H]1CCCc2ccccc21 ZINC000336858179 427763113 /nfs/dbraw/zinc/76/31/13/427763113.db2.gz XLQRXABGSQMXMT-HKUYNNGSSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000336858179 427763116 /nfs/dbraw/zinc/76/31/16/427763116.db2.gz XLQRXABGSQMXMT-HKUYNNGSSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000336858179 427763117 /nfs/dbraw/zinc/76/31/17/427763117.db2.gz XLQRXABGSQMXMT-HKUYNNGSSA-N 2 1 302.462 2.843 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000336873722 427769840 /nfs/dbraw/zinc/76/98/40/427769840.db2.gz ULMHOCHGLCRGMH-QGZVFWFLSA-N 2 1 317.477 2.871 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000336873722 427769841 /nfs/dbraw/zinc/76/98/41/427769841.db2.gz ULMHOCHGLCRGMH-QGZVFWFLSA-N 2 1 317.477 2.871 20 0 DFADMP CC(C)CCC[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000339411249 427770443 /nfs/dbraw/zinc/77/04/43/427770443.db2.gz XDEPVGQLOYSSCC-MRXNPFEDSA-N 2 1 304.482 2.800 20 0 DFADMP CCCCN(CCCC)C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433311 427773604 /nfs/dbraw/zinc/77/36/04/427773604.db2.gz OJBWXQYTATYAOV-IBGZPJMESA-N 2 1 323.525 2.833 20 0 DFADMP CCN(C(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000339433417 427774204 /nfs/dbraw/zinc/77/42/04/427774204.db2.gz KVNVJCRJEVGHES-IBGZPJMESA-N 2 1 321.509 2.585 20 0 DFADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc(C)[nH+]1 ZINC000301319799 427788992 /nfs/dbraw/zinc/78/89/92/427788992.db2.gz RHNPQHYARSRGPE-CXAGYDPISA-N 2 1 311.433 2.811 20 0 DFADMP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc(C)[nH+]1 ZINC000301319799 427788995 /nfs/dbraw/zinc/78/89/95/427788995.db2.gz RHNPQHYARSRGPE-CXAGYDPISA-N 2 1 311.433 2.811 20 0 DFADMP C([C@H]1CCCO1)[N@H+]1CCC[C@@]2(CCC[NH+](C[C@@H]3CCCO3)C2)C1 ZINC000339204737 427729564 /nfs/dbraw/zinc/72/95/64/427729564.db2.gz VNYMWHCPWDJUIJ-CEXWTWQISA-N 2 1 322.493 2.522 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCC[C@@]2(CCC[N@H+](C[C@@H]3CCCO3)C2)C1 ZINC000339204737 427729567 /nfs/dbraw/zinc/72/95/67/427729567.db2.gz VNYMWHCPWDJUIJ-CEXWTWQISA-N 2 1 322.493 2.522 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCC[C@@]2(CCC[N@@H+](C[C@@H]3CCCO3)C2)C1 ZINC000339204737 427729570 /nfs/dbraw/zinc/72/95/70/427729570.db2.gz VNYMWHCPWDJUIJ-CEXWTWQISA-N 2 1 322.493 2.522 20 0 DFADMP CC[C@@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000301410682 427794751 /nfs/dbraw/zinc/79/47/51/427794751.db2.gz OWALKQRGVKQDLB-JKSUJKDBSA-N 2 1 313.445 2.825 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CC(C)(C)C1 ZINC000339656032 427807957 /nfs/dbraw/zinc/80/79/57/427807957.db2.gz ZWBTWNOPLHNXNE-QGZVFWFLSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000359454651 427857797 /nfs/dbraw/zinc/85/77/97/427857797.db2.gz HOPFHUACQIRAAE-RTBURBONSA-N 2 1 324.472 2.508 20 0 DFADMP CCSc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000339685721 427811261 /nfs/dbraw/zinc/81/12/61/427811261.db2.gz GGZJVCUPCCRCSJ-ZBFHGGJFSA-N 2 1 308.491 2.906 20 0 DFADMP Cc1cccc2c(N3CCC([N@@H+](C)CCCO)CC3)cc[nH+]c12 ZINC000301641928 427812052 /nfs/dbraw/zinc/81/20/52/427812052.db2.gz BPRHNLGAMMBHCT-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000340477207 427858305 /nfs/dbraw/zinc/85/83/05/427858305.db2.gz XILWCBFYWJFGMS-HZPDHXFCSA-N 2 1 320.477 2.810 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000340477207 427858310 /nfs/dbraw/zinc/85/83/10/427858310.db2.gz XILWCBFYWJFGMS-HZPDHXFCSA-N 2 1 320.477 2.810 20 0 DFADMP CC[C@H](C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000346101059 272571879 /nfs/dbraw/zinc/57/18/79/272571879.db2.gz SIKIWVQSWFJHGM-SJLPKXTDSA-N 2 1 319.493 2.744 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNc1cc(NCC2CC2)ncn1 ZINC000301842393 427829010 /nfs/dbraw/zinc/82/90/10/427829010.db2.gz ZVPKXEVUTHUSMZ-AWEZNQCLSA-N 2 1 303.454 2.975 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000340477209 427858783 /nfs/dbraw/zinc/85/87/83/427858783.db2.gz XILWCBFYWJFGMS-JKSUJKDBSA-N 2 1 320.477 2.810 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000340477209 427858786 /nfs/dbraw/zinc/85/87/86/427858786.db2.gz XILWCBFYWJFGMS-JKSUJKDBSA-N 2 1 320.477 2.810 20 0 DFADMP CC[C@@H]1C[C@@H](C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000355681686 427846056 /nfs/dbraw/zinc/84/60/56/427846056.db2.gz JQAGWXCHGHOLNC-ZWKOTPCHSA-N 2 1 324.509 2.816 20 0 DFADMP COC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000349714935 427848902 /nfs/dbraw/zinc/84/89/02/427848902.db2.gz CEMRYQAETAUMDG-PNIOZXJOSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000337339868 427853217 /nfs/dbraw/zinc/85/32/17/427853217.db2.gz SCLBOMQJBQPDHD-OAHLLOKOSA-N 2 1 314.539 2.829 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCSC2CCCCC2)CC1 ZINC000337339868 427853222 /nfs/dbraw/zinc/85/32/22/427853222.db2.gz SCLBOMQJBQPDHD-OAHLLOKOSA-N 2 1 314.539 2.829 20 0 DFADMP CC(C)C[C@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000345680154 427856238 /nfs/dbraw/zinc/85/62/38/427856238.db2.gz XYTZPUJJNPSQSG-SJLPKXTDSA-N 2 1 319.493 2.599 20 0 DFADMP CCCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359473688 427865900 /nfs/dbraw/zinc/86/59/00/427865900.db2.gz NTDDRIRUFBVYMC-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@H]3CCO[C@@H]3C23CCC3)C1 ZINC000340517977 427872446 /nfs/dbraw/zinc/87/24/46/427872446.db2.gz OZWVFRDXBJXSTR-ILOCAZANSA-N 2 1 306.494 2.902 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)oc1C ZINC000337385872 427880293 /nfs/dbraw/zinc/88/02/93/427880293.db2.gz HSNBGTNRVUFSSJ-RDJZCZTQSA-N 2 1 307.482 2.819 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000337400848 427885760 /nfs/dbraw/zinc/88/57/60/427885760.db2.gz RBEUOSNZURYZDU-CQSZACIVSA-N 2 1 317.433 2.738 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)nn1C ZINC000337408042 427888469 /nfs/dbraw/zinc/88/84/69/427888469.db2.gz UHKWGGVXDSJQGH-OAHLLOKOSA-N 2 1 316.449 2.520 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccccc1Cl)N(C)C ZINC000359551202 427905201 /nfs/dbraw/zinc/90/52/01/427905201.db2.gz JRDUARLANNMISX-KBRIMQKVSA-N 2 1 309.885 2.873 20 0 DFADMP CCOC(=O)[C@@H](CC)N1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337438943 427906677 /nfs/dbraw/zinc/90/66/77/427906677.db2.gz LDDRVNWHRPLACB-GOEBONIOSA-N 2 1 319.449 2.741 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N(C)CC[NH+](C(C)C)C(C)C ZINC000359574227 427917089 /nfs/dbraw/zinc/91/70/89/427917089.db2.gz HMTMKRUGHWKFTK-UHFFFAOYSA-N 2 1 307.438 2.813 20 0 DFADMP Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000304291398 427926852 /nfs/dbraw/zinc/92/68/52/427926852.db2.gz CNIDQMZZDSDPIK-PKOBYXMFSA-N 2 1 302.462 2.836 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@@]3(C)CCCO3)CCCC2)CC1 ZINC000340231683 427960042 /nfs/dbraw/zinc/96/00/42/427960042.db2.gz VBXPYDUZUVRZSV-FUHWJXTLSA-N 2 1 324.509 2.957 20 0 DFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340235036 427960207 /nfs/dbraw/zinc/96/02/07/427960207.db2.gz GXBSSUIDAAGKIF-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@]3(C)CCCO3)CCCC2)CC1 ZINC000340231685 427960664 /nfs/dbraw/zinc/96/06/64/427960664.db2.gz VBXPYDUZUVRZSV-WMZOPIPTSA-N 2 1 324.509 2.957 20 0 DFADMP CCC[C@H](C)CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337567135 427962066 /nfs/dbraw/zinc/96/20/66/427962066.db2.gz ALINYKFLXQPRMK-IRXDYDNUSA-N 2 1 311.514 2.687 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000340262696 427969859 /nfs/dbraw/zinc/96/98/59/427969859.db2.gz ZVHDSLNOBZWRGE-OWYHZJEWSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000340262696 427969862 /nfs/dbraw/zinc/96/98/62/427969862.db2.gz ZVHDSLNOBZWRGE-OWYHZJEWSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000340262696 427969864 /nfs/dbraw/zinc/96/98/64/427969864.db2.gz ZVHDSLNOBZWRGE-OWYHZJEWSA-N 2 1 301.478 2.894 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ncccc2C)[C@@H](C)C1 ZINC000359686893 427972619 /nfs/dbraw/zinc/97/26/19/427972619.db2.gz HUZGDTNBZYCYQJ-DLBZAZTESA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ncccc2C)[C@@H](C)C1 ZINC000359686893 427972624 /nfs/dbraw/zinc/97/26/24/427972624.db2.gz HUZGDTNBZYCYQJ-DLBZAZTESA-N 2 1 305.466 2.617 20 0 DFADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340288914 427979100 /nfs/dbraw/zinc/97/91/00/427979100.db2.gz DIYBPOVVMKKKIR-IAGOWNOFSA-N 2 1 314.433 2.736 20 0 DFADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)n1 ZINC000340288914 427979103 /nfs/dbraw/zinc/97/91/03/427979103.db2.gz DIYBPOVVMKKKIR-IAGOWNOFSA-N 2 1 314.433 2.736 20 0 DFADMP C[NH+](C)CCc1ccccc1NC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000356016708 427982971 /nfs/dbraw/zinc/98/29/71/427982971.db2.gz ZJGXAOZMRWPTPF-INIZCTEOSA-N 2 1 312.417 2.503 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340311626 427983984 /nfs/dbraw/zinc/98/39/84/427983984.db2.gz IXHREOCSPWTBGQ-WJFTUGDTSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340311626 427983989 /nfs/dbraw/zinc/98/39/89/427983989.db2.gz IXHREOCSPWTBGQ-WJFTUGDTSA-N 2 1 300.446 2.979 20 0 DFADMP C[NH+](C)C1(CNC2CC[NH+](Cc3cccnc3)CC2)CCCC1 ZINC000359634241 427945852 /nfs/dbraw/zinc/94/58/52/427945852.db2.gz MTOTZTJZAZLBGP-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP CCC[C@](C)(CC)C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000356118764 428028670 /nfs/dbraw/zinc/02/86/70/428028670.db2.gz YVWPYQOACNDAKK-SFHVURJKSA-N 2 1 311.514 2.687 20 0 DFADMP CCC[C@](C)(CC)C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000356118764 428028676 /nfs/dbraw/zinc/02/86/76/428028676.db2.gz YVWPYQOACNDAKK-SFHVURJKSA-N 2 1 311.514 2.687 20 0 DFADMP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376967813 428033671 /nfs/dbraw/zinc/03/36/71/428033671.db2.gz NNHMCDNTGYCFNB-CQSZACIVSA-N 2 1 301.438 2.529 20 0 DFADMP C[N@H+](Cc1cnn(C(C)(C)C)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376967813 428033677 /nfs/dbraw/zinc/03/36/77/428033677.db2.gz NNHMCDNTGYCFNB-CQSZACIVSA-N 2 1 301.438 2.529 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377093174 428054183 /nfs/dbraw/zinc/05/41/83/428054183.db2.gz JOWQHELUSCFFJM-HKUYNNGSSA-N 2 1 324.472 2.909 20 0 DFADMP CCOC[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000346186257 428058773 /nfs/dbraw/zinc/05/87/73/428058773.db2.gz YJFYGOSGOYRSLU-INIZCTEOSA-N 2 1 314.433 2.824 20 0 DFADMP C[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1cccs1 ZINC000369559491 427998865 /nfs/dbraw/zinc/99/88/65/427998865.db2.gz AXWITTWLIIDKPC-FZMZJTMJSA-N 2 1 313.430 3.124 20 0 DFADMP C[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1cccs1 ZINC000369559491 427998869 /nfs/dbraw/zinc/99/88/69/427998869.db2.gz AXWITTWLIIDKPC-FZMZJTMJSA-N 2 1 313.430 3.124 20 0 DFADMP COc1cc2[nH+]ccc(N[C@@H]3CCC[N@@H+](C)[C@@H]3C)c2cc1OC ZINC000413233386 427999054 /nfs/dbraw/zinc/99/90/54/427999054.db2.gz DFIJDQHLSFGCLA-TZMCWYRMSA-N 2 1 315.417 2.569 20 0 DFADMP CCCn1cc[nH+]c1CCCN(C)c1cc(NC2CC2)ncn1 ZINC000413257799 428002680 /nfs/dbraw/zinc/00/26/80/428002680.db2.gz FWZAXJSBKSCJBR-UHFFFAOYSA-N 2 1 314.437 2.726 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000341180714 428005038 /nfs/dbraw/zinc/00/50/38/428005038.db2.gz GMYIOUQWOLAJSB-UHFFFAOYSA-N 2 1 323.868 2.861 20 0 DFADMP Cc1cccc(NC2CC[NH+](C[C@H](O)c3ccccc3)CC2)[nH+]1 ZINC000369582675 428008276 /nfs/dbraw/zinc/00/82/76/428008276.db2.gz CGZSULURIBGYHQ-SFHVURJKSA-N 2 1 311.429 3.000 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000369609832 428015354 /nfs/dbraw/zinc/01/53/54/428015354.db2.gz TWNROPALAZXSAY-HZPDHXFCSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000369609832 428015365 /nfs/dbraw/zinc/01/53/65/428015365.db2.gz TWNROPALAZXSAY-HZPDHXFCSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-n3ccnc3)cs2)CC[N@@H+]1C ZINC000346208184 428070741 /nfs/dbraw/zinc/07/07/41/428070741.db2.gz SQTFXSGSYBBNLH-KBPBESRZSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)Cc2cc(-n3ccnc3)cs2)CC[N@H+]1C ZINC000346208184 428070746 /nfs/dbraw/zinc/07/07/46/428070746.db2.gz SQTFXSGSYBBNLH-KBPBESRZSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)Cc2cc(-n3ccnc3)cs2)CC[NH+]1C ZINC000346208184 428070750 /nfs/dbraw/zinc/07/07/50/428070750.db2.gz SQTFXSGSYBBNLH-KBPBESRZSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)Cc2cc(-n3ccnc3)cs2)CC[NH+]1C ZINC000346208184 428070755 /nfs/dbraw/zinc/07/07/55/428070755.db2.gz SQTFXSGSYBBNLH-KBPBESRZSA-N 2 1 304.463 2.848 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000369849758 428076018 /nfs/dbraw/zinc/07/60/18/428076018.db2.gz CZRUFKMMAWWMOC-BTHPGYMESA-N 2 1 315.505 2.999 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000369849758 428076023 /nfs/dbraw/zinc/07/60/23/428076023.db2.gz CZRUFKMMAWWMOC-BTHPGYMESA-N 2 1 315.505 2.999 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)[C@H](C)C1 ZINC000369849758 428076026 /nfs/dbraw/zinc/07/60/26/428076026.db2.gz CZRUFKMMAWWMOC-BTHPGYMESA-N 2 1 315.505 2.999 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000369875869 428082596 /nfs/dbraw/zinc/08/25/96/428082596.db2.gz XGNAFJNJDPQFLZ-KRWDZBQOSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000369875869 428082602 /nfs/dbraw/zinc/08/26/02/428082602.db2.gz XGNAFJNJDPQFLZ-KRWDZBQOSA-N 2 1 318.465 2.618 20 0 DFADMP C[C@H]1C[C@@H](C(=O)NC2CC[NH+](C3CCCCC3)CC2)CC[N@H+]1C ZINC000377330761 428106282 /nfs/dbraw/zinc/10/62/82/428106282.db2.gz PCTBIBZJVPESMP-HOTGVXAUSA-N 2 1 321.509 2.630 20 0 DFADMP COC(C)(C)CC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000346279719 428107109 /nfs/dbraw/zinc/10/71/09/428107109.db2.gz NJCSUVYLZAXGMY-IYBDPMFKSA-N 2 1 312.498 2.623 20 0 DFADMP Cc1cnc(CN2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)o1 ZINC000377337836 428108008 /nfs/dbraw/zinc/10/80/08/428108008.db2.gz QLTUFSBPLDFDCV-ROUUACIJSA-N 2 1 311.429 2.937 20 0 DFADMP COCC[C@@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000370005040 428108184 /nfs/dbraw/zinc/10/81/84/428108184.db2.gz FGWLVUYAMKFJAK-ZWKOTPCHSA-N 2 1 324.509 2.816 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000370017836 428111587 /nfs/dbraw/zinc/11/15/87/428111587.db2.gz KYNJIHCJTCYRAH-DOTOQJQBSA-N 2 1 301.434 2.561 20 0 DFADMP CN(C(=O)CC1(C)CCCC1)[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000377361309 428113029 /nfs/dbraw/zinc/11/30/29/428113029.db2.gz BTZNSPAGXKWPRR-QGZVFWFLSA-N 2 1 321.509 2.584 20 0 DFADMP CN(C(=O)CC1(C)CCCC1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377361309 428113033 /nfs/dbraw/zinc/11/30/33/428113033.db2.gz BTZNSPAGXKWPRR-QGZVFWFLSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000360007760 428115301 /nfs/dbraw/zinc/11/53/01/428115301.db2.gz RDAYVHHMNXDLFT-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360007760 428115303 /nfs/dbraw/zinc/11/53/03/428115303.db2.gz RDAYVHHMNXDLFT-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360007760 428115312 /nfs/dbraw/zinc/11/53/12/428115312.db2.gz RDAYVHHMNXDLFT-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351967405 428117417 /nfs/dbraw/zinc/11/74/17/428117417.db2.gz LIEGNXWVCIIDIB-WBVHZDCISA-N 2 1 306.450 2.533 20 0 DFADMP CCc1nc2c(s1)[C@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000360021779 428119356 /nfs/dbraw/zinc/11/93/56/428119356.db2.gz WOYYOTBKQYYCIS-VXGBXAGGSA-N 2 1 302.447 2.884 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(-n2ccnc2)cc1 ZINC000360018602 428120092 /nfs/dbraw/zinc/12/00/92/428120092.db2.gz QTWIWTFNKWXCNS-GDBMZVCRSA-N 2 1 307.401 2.734 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341606207 428126946 /nfs/dbraw/zinc/12/69/46/428126946.db2.gz VEVSVCATPRYTKC-ZFWWWQNUSA-N 2 1 317.433 2.543 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341606207 428126950 /nfs/dbraw/zinc/12/69/50/428126950.db2.gz VEVSVCATPRYTKC-ZFWWWQNUSA-N 2 1 317.433 2.543 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCc1nccs1 ZINC000360056390 428136081 /nfs/dbraw/zinc/13/60/81/428136081.db2.gz HFWLNDWBKKVGDV-OWCLPIDISA-N 2 1 323.506 2.555 20 0 DFADMP FC(F)COc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352535347 428140202 /nfs/dbraw/zinc/14/02/02/428140202.db2.gz PMIMAZRCMROFAE-QGZVFWFLSA-N 2 1 310.388 2.906 20 0 DFADMP FC(F)COc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352535347 428140206 /nfs/dbraw/zinc/14/02/06/428140206.db2.gz PMIMAZRCMROFAE-QGZVFWFLSA-N 2 1 310.388 2.906 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN3CCCC[C@H]3CC[NH3+])sc2C1 ZINC000352540115 428142547 /nfs/dbraw/zinc/14/25/47/428142547.db2.gz HGJUUQMUHIUREU-AWEZNQCLSA-N 2 1 322.522 2.613 20 0 DFADMP CCOC(=O)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)o1 ZINC000352540991 428142707 /nfs/dbraw/zinc/14/27/07/428142707.db2.gz RZKQMBTULWASLE-UHFFFAOYSA-N 2 1 308.422 2.797 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=[NH2+])Nc2ccccn2)[C@H]1c1cccs1 ZINC000370164692 428148670 /nfs/dbraw/zinc/14/86/70/428148670.db2.gz XYOCDCFMJRRXLR-DOMZBBRYSA-N 2 1 315.446 2.772 20 0 DFADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000377559152 428159371 /nfs/dbraw/zinc/15/93/71/428159371.db2.gz CPIRAXIEBIKVCG-YRXWBPOGSA-N 2 1 300.446 2.526 20 0 DFADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000377559152 428159373 /nfs/dbraw/zinc/15/93/73/428159373.db2.gz CPIRAXIEBIKVCG-YRXWBPOGSA-N 2 1 300.446 2.526 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c(C)c1 ZINC000377617610 428173866 /nfs/dbraw/zinc/17/38/66/428173866.db2.gz AOZVEGFABPNHMX-IBGZPJMESA-N 2 1 315.505 2.763 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377626753 428176335 /nfs/dbraw/zinc/17/63/35/428176335.db2.gz OGTBTFOVVMCUJF-UFYCRDLUSA-N 2 1 319.537 2.938 20 0 DFADMP CC(C)C(C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1)C(C)C ZINC000377623468 428176417 /nfs/dbraw/zinc/17/64/17/428176417.db2.gz JPZPLAZKSNJSFL-SFHVURJKSA-N 2 1 309.542 2.874 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370305090 428179335 /nfs/dbraw/zinc/17/93/35/428179335.db2.gz GBYOKFLHRRPNAN-OAHLLOKOSA-N 2 1 319.449 2.742 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000377647105 428181166 /nfs/dbraw/zinc/18/11/66/428181166.db2.gz LNSGHWMVRSXENK-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1cccnc1 ZINC000370316264 428181676 /nfs/dbraw/zinc/18/16/76/428181676.db2.gz RYRHWVUGENLDCV-FXAWDEMLSA-N 2 1 324.472 2.721 20 0 DFADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C)c2C1 ZINC000352647029 428182046 /nfs/dbraw/zinc/18/20/46/428182046.db2.gz QRLXPEQIPGUECO-QGZVFWFLSA-N 2 1 301.434 2.691 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH+]3C)c2C1 ZINC000352647029 428182054 /nfs/dbraw/zinc/18/20/54/428182054.db2.gz QRLXPEQIPGUECO-QGZVFWFLSA-N 2 1 301.434 2.691 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@@H+]3C)c2C1 ZINC000352647029 428182058 /nfs/dbraw/zinc/18/20/58/428182058.db2.gz QRLXPEQIPGUECO-QGZVFWFLSA-N 2 1 301.434 2.691 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3CCC[N@H+]3C)c2C1 ZINC000352647029 428182061 /nfs/dbraw/zinc/18/20/61/428182061.db2.gz QRLXPEQIPGUECO-QGZVFWFLSA-N 2 1 301.434 2.691 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3CCO)sc2C1 ZINC000370428551 428209776 /nfs/dbraw/zinc/20/97/76/428209776.db2.gz QEBRKIQQPVGXJG-UONOGXRCSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCC[C@H]3CCO)sc2C1 ZINC000370428551 428209779 /nfs/dbraw/zinc/20/97/79/428209779.db2.gz QEBRKIQQPVGXJG-UONOGXRCSA-N 2 1 323.506 2.550 20 0 DFADMP Cc1nn(C)cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356516093 428213092 /nfs/dbraw/zinc/21/30/92/428213092.db2.gz BBAMSVPBSYRSLL-ICSRJNTNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356516093 428213096 /nfs/dbraw/zinc/21/30/96/428213096.db2.gz BBAMSVPBSYRSLL-ICSRJNTNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356516093 428213100 /nfs/dbraw/zinc/21/31/00/428213100.db2.gz BBAMSVPBSYRSLL-ICSRJNTNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356516093 428213103 /nfs/dbraw/zinc/21/31/03/428213103.db2.gz BBAMSVPBSYRSLL-ICSRJNTNSA-N 2 1 324.472 2.682 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@@H]1C ZINC000414128066 428215099 /nfs/dbraw/zinc/21/50/99/428215099.db2.gz SWHKLYOBNSNAEU-FAJAVTLNSA-N 2 1 316.489 2.894 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1C[C@@H]1C ZINC000414128066 428215104 /nfs/dbraw/zinc/21/51/04/428215104.db2.gz SWHKLYOBNSNAEU-FAJAVTLNSA-N 2 1 316.489 2.894 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccncc2)[C@@H](C)C1 ZINC000346570903 428223384 /nfs/dbraw/zinc/22/33/84/428223384.db2.gz QAMOMHHTUDFMEK-HKUYNNGSSA-N 2 1 319.493 2.741 20 0 DFADMP Cc1ncc(C(=O)N[C@@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[nH]1 ZINC000346573183 428224244 /nfs/dbraw/zinc/22/42/44/428224244.db2.gz QJKJTWVJYYBEEL-KRWDZBQOSA-N 2 1 314.433 2.605 20 0 DFADMP COC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(F)c(F)c1 ZINC000414172295 428225038 /nfs/dbraw/zinc/22/50/38/428225038.db2.gz DSXYHHYSYSCNQB-DYVFJYSZSA-N 2 1 312.404 2.974 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352749337 428232054 /nfs/dbraw/zinc/23/20/54/428232054.db2.gz MNRLROVXKRZGLZ-IMMZDGJCSA-N 2 1 324.415 2.805 20 0 DFADMP CC(C)C[N@@H+]1CCCC[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000352755572 428234873 /nfs/dbraw/zinc/23/48/73/428234873.db2.gz MMJLZOFHVWDDGY-OAHLLOKOSA-N 2 1 324.538 2.805 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CNCc1ncc(C[NH+](C)C)s1 ZINC000352755572 428234877 /nfs/dbraw/zinc/23/48/77/428234877.db2.gz MMJLZOFHVWDDGY-OAHLLOKOSA-N 2 1 324.538 2.805 20 0 DFADMP CCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cn1 ZINC000352758166 428235152 /nfs/dbraw/zinc/23/51/52/428235152.db2.gz GRTAPSJFCXWBIH-RTBURBONSA-N 2 1 317.477 2.502 20 0 DFADMP CC(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352761749 428237364 /nfs/dbraw/zinc/23/73/64/428237364.db2.gz ZFHXHFHJFDPVSS-XJKSGUPXSA-N 2 1 311.495 2.746 20 0 DFADMP C[N@@H+]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]2[C@@H]1c1ccccc1 ZINC000377830701 428238436 /nfs/dbraw/zinc/23/84/36/428238436.db2.gz GUYHZXFIIPRVBS-OIISXLGYSA-N 2 1 319.412 2.697 20 0 DFADMP C[N@H+]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]2[C@@H]1c1ccccc1 ZINC000377830701 428238442 /nfs/dbraw/zinc/23/84/42/428238442.db2.gz GUYHZXFIIPRVBS-OIISXLGYSA-N 2 1 319.412 2.697 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCc2cnccc2C)C[C@]2(CCOC2)O1 ZINC000377687695 428196128 /nfs/dbraw/zinc/19/61/28/428196128.db2.gz AQESWODSWKPGPN-MSOLQXFVSA-N 2 1 304.434 2.593 20 0 DFADMP CC[C@@H]1CN(CCCc2cnccc2C)C[C@]2(CCOC2)O1 ZINC000377687695 428196134 /nfs/dbraw/zinc/19/61/34/428196134.db2.gz AQESWODSWKPGPN-MSOLQXFVSA-N 2 1 304.434 2.593 20 0 DFADMP Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000370386580 428198522 /nfs/dbraw/zinc/19/85/22/428198522.db2.gz FLYQTJFALIBAFU-TZMCWYRMSA-N 2 1 301.438 2.809 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c(C)c1 ZINC000414072040 428198959 /nfs/dbraw/zinc/19/89/59/428198959.db2.gz MIOHXRACONQNHV-HZPDHXFCSA-N 2 1 306.450 2.501 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341963083 428263024 /nfs/dbraw/zinc/26/30/24/428263024.db2.gz ZFIBMDJKMJUFMY-UHFFFAOYSA-N 2 1 313.445 2.856 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341963083 428263031 /nfs/dbraw/zinc/26/30/31/428263031.db2.gz ZFIBMDJKMJUFMY-UHFFFAOYSA-N 2 1 313.445 2.856 20 0 DFADMP CC[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000370646571 428263144 /nfs/dbraw/zinc/26/31/44/428263144.db2.gz WKLZOMFOKHDIIW-CABCVRRESA-N 2 1 306.454 2.510 20 0 DFADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000370653950 428264474 /nfs/dbraw/zinc/26/44/74/428264474.db2.gz VPAIHRHJTQGPEA-KZNAEPCWSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000370651693 428265432 /nfs/dbraw/zinc/26/54/32/428265432.db2.gz BXDSEHVVEJKDRM-QXAKKESOSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000370679583 428272324 /nfs/dbraw/zinc/27/23/24/428272324.db2.gz UJOVAEMLZLABQY-RBSFLKMASA-N 2 1 323.431 2.863 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000377969625 428273587 /nfs/dbraw/zinc/27/35/87/428273587.db2.gz ZFEJEPSCNNCIQY-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000377969625 428273594 /nfs/dbraw/zinc/27/35/94/428273594.db2.gz ZFEJEPSCNNCIQY-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000377969625 428273596 /nfs/dbraw/zinc/27/35/96/428273596.db2.gz ZFEJEPSCNNCIQY-YESZJQIVSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000346695229 428275356 /nfs/dbraw/zinc/27/53/56/428275356.db2.gz ZBQHODSTOWFJEK-KRWDZBQOSA-N 2 1 304.413 2.817 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000346695229 428275366 /nfs/dbraw/zinc/27/53/66/428275366.db2.gz ZBQHODSTOWFJEK-KRWDZBQOSA-N 2 1 304.413 2.817 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)CC(C)(C)C[NH3+] ZINC000346694570 428278233 /nfs/dbraw/zinc/27/82/33/428278233.db2.gz UZGBBBBFBLMNMK-UHFFFAOYSA-N 2 1 300.406 2.686 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370709060 428280459 /nfs/dbraw/zinc/28/04/59/428280459.db2.gz IMGHEMABMJDVMB-LPHOPBHVSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370709060 428280462 /nfs/dbraw/zinc/28/04/62/428280462.db2.gz IMGHEMABMJDVMB-LPHOPBHVSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(NC2CC[NH+](C(C)(C)C)CC2)n1 ZINC000370747516 428289010 /nfs/dbraw/zinc/28/90/10/428289010.db2.gz NWDUBRMWSWKKNW-UHFFFAOYSA-N 2 1 313.449 3.251 20 0 DFADMP C[C@H](CC[NH2+]Cc1cnn(CC(F)F)c1)[NH+]1CCCCC1 ZINC000352877479 428293403 /nfs/dbraw/zinc/29/34/03/428293403.db2.gz QOEPAGPVJMVLSN-CYBMUJFWSA-N 2 1 300.397 2.502 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342080165 428295543 /nfs/dbraw/zinc/29/55/43/428295543.db2.gz FZTRCBAETDVRCI-OFQRWUPVSA-N 2 1 319.424 2.522 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000352776567 428243224 /nfs/dbraw/zinc/24/32/24/428243224.db2.gz UBLGAFGBRDWSCJ-CVEARBPZSA-N 2 1 318.465 2.531 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000352776567 428243231 /nfs/dbraw/zinc/24/32/31/428243231.db2.gz UBLGAFGBRDWSCJ-CVEARBPZSA-N 2 1 318.465 2.531 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000377861443 428247059 /nfs/dbraw/zinc/24/70/59/428247059.db2.gz REYYCUVGGKQVTD-OAHLLOKOSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000377861443 428247064 /nfs/dbraw/zinc/24/70/64/428247064.db2.gz REYYCUVGGKQVTD-OAHLLOKOSA-N 2 1 315.417 2.595 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CCOC ZINC000414276659 428247930 /nfs/dbraw/zinc/24/79/30/428247930.db2.gz YIHAPLDZZKKIPI-QXAKKESOSA-N 2 1 320.477 2.538 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)CCOC ZINC000414276659 428247935 /nfs/dbraw/zinc/24/79/35/428247935.db2.gz YIHAPLDZZKKIPI-QXAKKESOSA-N 2 1 320.477 2.538 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCCNc2ccccc2)s1 ZINC000352789166 428247943 /nfs/dbraw/zinc/24/79/43/428247943.db2.gz MGPYDRADARJPSC-UHFFFAOYSA-N 2 1 304.463 2.797 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2OC)[C@H](C)C1 ZINC000341911454 428248355 /nfs/dbraw/zinc/24/83/55/428248355.db2.gz UTUYVZPBIXSJLX-VSZNYVQBSA-N 2 1 312.498 2.528 20 0 DFADMP C[N@@H+](Cc1ccc(Br)o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377859145 428248736 /nfs/dbraw/zinc/24/87/36/428248736.db2.gz FYUANJHTJOQLTG-NSHDSACASA-N 2 1 324.222 2.933 20 0 DFADMP C[N@H+](Cc1ccc(Br)o1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377859145 428248741 /nfs/dbraw/zinc/24/87/41/428248741.db2.gz FYUANJHTJOQLTG-NSHDSACASA-N 2 1 324.222 2.933 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000414319752 428257238 /nfs/dbraw/zinc/25/72/38/428257238.db2.gz OLSAGBFTKOHXRZ-UHFFFAOYSA-N 2 1 313.380 2.615 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000356622725 428258181 /nfs/dbraw/zinc/25/81/81/428258181.db2.gz CLCGUDNHYNXJRV-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000356622725 428258183 /nfs/dbraw/zinc/25/81/83/428258183.db2.gz CLCGUDNHYNXJRV-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[C@@H]1CN(c2cc(C)nc(C3CC3)n2)CC[N@H+]1CCOC ZINC000346656298 428258638 /nfs/dbraw/zinc/25/86/38/428258638.db2.gz NNWXRPCLOFKXDU-MRXNPFEDSA-N 2 1 318.465 2.600 20 0 DFADMP c1c[nH]c(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)n1 ZINC000370649824 428262028 /nfs/dbraw/zinc/26/20/28/428262028.db2.gz HMVYLDLYBLDGID-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP c1c[nH]c(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n1 ZINC000370649824 428262034 /nfs/dbraw/zinc/26/20/34/428262034.db2.gz HMVYLDLYBLDGID-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114265 428305629 /nfs/dbraw/zinc/30/56/29/428305629.db2.gz CDQOBYUCRXUOLQ-NWANDNLSSA-N 2 1 316.424 2.755 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342114265 428305632 /nfs/dbraw/zinc/30/56/32/428305632.db2.gz CDQOBYUCRXUOLQ-NWANDNLSSA-N 2 1 316.424 2.755 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000370879054 428313276 /nfs/dbraw/zinc/31/32/76/428313276.db2.gz LAMKOGNFAKQSRG-SCTDSRPQSA-N 2 1 305.510 2.810 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000370879054 428313281 /nfs/dbraw/zinc/31/32/81/428313281.db2.gz LAMKOGNFAKQSRG-SCTDSRPQSA-N 2 1 305.510 2.810 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000370879054 428313286 /nfs/dbraw/zinc/31/32/86/428313286.db2.gz LAMKOGNFAKQSRG-SCTDSRPQSA-N 2 1 305.510 2.810 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801511 428321811 /nfs/dbraw/zinc/32/18/11/428321811.db2.gz SQGYJVUGLKFWKY-JTNHKYCSSA-N 2 1 300.368 2.965 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2cc(Br)cc3cccnc32)CCC1 ZINC000342150143 428322779 /nfs/dbraw/zinc/32/27/79/428322779.db2.gz WYMWLUNFWIVFKP-UHFFFAOYSA-N 2 1 320.234 2.968 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000356825801 428324531 /nfs/dbraw/zinc/32/45/31/428324531.db2.gz ATUZLVPSCQQVGO-PKOBYXMFSA-N 2 1 320.477 2.540 20 0 DFADMP COc1ccc(CN[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000342172697 428331988 /nfs/dbraw/zinc/33/19/88/428331988.db2.gz STUCMDVWDIHULE-IUODEOHRSA-N 2 1 304.434 2.727 20 0 DFADMP COc1ccc(CN[C@@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000342172697 428331994 /nfs/dbraw/zinc/33/19/94/428331994.db2.gz STUCMDVWDIHULE-IUODEOHRSA-N 2 1 304.434 2.727 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cnc21 ZINC000346829887 428335172 /nfs/dbraw/zinc/33/51/72/428335172.db2.gz OJQYUUCAKDFRKU-BHYGNILZSA-N 2 1 313.449 2.571 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000346832603 428336073 /nfs/dbraw/zinc/33/60/73/428336073.db2.gz LPPJGWASZSFCHY-UAGQMJEPSA-N 2 1 304.482 2.814 20 0 DFADMP COCC[N@@H+](CCCOc1ccc(F)cc1)C[C@@H]1CCC[NH2+]C1 ZINC000346833837 428337422 /nfs/dbraw/zinc/33/74/22/428337422.db2.gz MQQHLVVMONYWMR-MRXNPFEDSA-N 2 1 324.440 2.543 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000356858330 428340337 /nfs/dbraw/zinc/34/03/37/428340337.db2.gz XMHBDMBYEDPJSB-VBSBHUPXSA-N 3 1 324.472 2.772 20 0 DFADMP Fc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346840501 428341380 /nfs/dbraw/zinc/34/13/80/428341380.db2.gz GDWOUMMVDCSKOJ-FUHWJXTLSA-N 2 1 306.425 2.806 20 0 DFADMP Fc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346840501 428341388 /nfs/dbraw/zinc/34/13/88/428341388.db2.gz GDWOUMMVDCSKOJ-FUHWJXTLSA-N 2 1 306.425 2.806 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000346858460 428348534 /nfs/dbraw/zinc/34/85/34/428348534.db2.gz BHLNORISJANNDY-BHIYHBOVSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCOC1 ZINC000346858460 428348536 /nfs/dbraw/zinc/34/85/36/428348536.db2.gz BHLNORISJANNDY-BHIYHBOVSA-N 2 1 302.462 2.913 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@H]12 ZINC000346854221 428348685 /nfs/dbraw/zinc/34/86/85/428348685.db2.gz TZMKRQZENQVNRB-LSTHTHJFSA-N 2 1 323.440 2.830 20 0 DFADMP CC[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+](C)C ZINC000342206229 428349650 /nfs/dbraw/zinc/34/96/50/428349650.db2.gz ADHDZYGJTZVJJP-KRWDZBQOSA-N 2 1 303.450 2.602 20 0 DFADMP CCC[N@@H+](CC)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356887497 428351064 /nfs/dbraw/zinc/35/10/64/428351064.db2.gz YNXGGDDKOUKBSI-UHFFFAOYSA-N 2 1 309.420 2.725 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000342209391 428351960 /nfs/dbraw/zinc/35/19/60/428351960.db2.gz RYGGXTUEVQAWSO-NVXWUHKLSA-N 2 1 313.449 2.792 20 0 DFADMP CCCOC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000371069419 428352738 /nfs/dbraw/zinc/35/27/38/428352738.db2.gz NEVDBULEKPEDNW-GJZGRUSLSA-N 2 1 307.438 2.813 20 0 DFADMP CCc1nc(NC[C@@H](c2ccc(C)o2)[NH+]2CCCC2)cc(C)[nH+]1 ZINC000342102765 428300761 /nfs/dbraw/zinc/30/07/61/428300761.db2.gz ZSXJCKQPDPENTM-HNNXBMFYSA-N 2 1 314.433 3.498 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342102444 428300960 /nfs/dbraw/zinc/30/09/60/428300960.db2.gz MCNULSSWEAUYTI-KBAYOESNSA-N 2 1 323.440 2.838 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CC(=O)Nc3cccc4ccccc43)C[C@H]21 ZINC000342102444 428300964 /nfs/dbraw/zinc/30/09/64/428300964.db2.gz MCNULSSWEAUYTI-KBAYOESNSA-N 2 1 323.440 2.838 20 0 DFADMP c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)cc1 ZINC000357107491 428390391 /nfs/dbraw/zinc/39/03/91/428390391.db2.gz RLYZOEJJYFCXIR-MRXNPFEDSA-N 2 1 312.417 2.558 20 0 DFADMP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414751222 428393724 /nfs/dbraw/zinc/39/37/24/428393724.db2.gz AAMGUXZLMNCWPH-MVJTYMMSSA-N 2 1 316.445 2.753 20 0 DFADMP C[C@H]1C[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH2+]1 ZINC000414756476 428394631 /nfs/dbraw/zinc/39/46/31/428394631.db2.gz JRSKYNDVLUECIL-HOTGVXAUSA-N 3 1 316.493 2.787 20 0 DFADMP OCCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000346994682 428399566 /nfs/dbraw/zinc/39/95/66/428399566.db2.gz UXRAOQGNIKCXJM-VQIMIIECSA-N 2 1 302.462 2.748 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC[NH2+]C1 ZINC000346992411 428400120 /nfs/dbraw/zinc/40/01/20/428400120.db2.gz UCFGPKFFKYYJGJ-UXHICEINSA-N 2 1 315.505 2.830 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc(Cl)c2F)CC12CCOCC2 ZINC000414780285 428403776 /nfs/dbraw/zinc/40/37/76/428403776.db2.gz LGQLFTBITNHVCF-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC12CCOCC2 ZINC000414780285 428403781 /nfs/dbraw/zinc/40/37/81/428403781.db2.gz LGQLFTBITNHVCF-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cccc(Cl)c2F)CC12CCOCC2 ZINC000414780287 428404228 /nfs/dbraw/zinc/40/42/28/428404228.db2.gz LGQLFTBITNHVCF-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(Cl)c2F)CC12CCOCC2 ZINC000414780287 428404233 /nfs/dbraw/zinc/40/42/33/428404233.db2.gz LGQLFTBITNHVCF-ZDUSSCGKSA-N 2 1 312.816 2.666 20 0 DFADMP Clc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1Br ZINC000414780991 428404670 /nfs/dbraw/zinc/40/46/70/428404670.db2.gz MJYNTWBKKZKJHY-UHFFFAOYSA-N 2 1 303.631 2.944 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357138989 428404714 /nfs/dbraw/zinc/40/47/14/428404714.db2.gz XPDVKLFERFHGKR-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357138989 428404718 /nfs/dbraw/zinc/40/47/18/428404718.db2.gz XPDVKLFERFHGKR-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414785035 428406210 /nfs/dbraw/zinc/40/62/10/428406210.db2.gz SBDRMZWHEKTVEM-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H](C)[NH2+]1 ZINC000347007610 428407133 /nfs/dbraw/zinc/40/71/33/428407133.db2.gz RAUUPIQMHRKKNL-CALCHBBNSA-N 2 1 303.494 2.827 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414783262 428407925 /nfs/dbraw/zinc/40/79/25/428407925.db2.gz PSHVSCSLGGGFEL-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000357151170 428409148 /nfs/dbraw/zinc/40/91/48/428409148.db2.gz SLUGXNCEPBAIHU-CVEARBPZSA-N 2 1 311.514 2.637 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789759 428409462 /nfs/dbraw/zinc/40/94/62/428409462.db2.gz YWMVEBRSIVIUMJ-DLBZAZTESA-N 2 1 310.445 2.898 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000378293463 428357033 /nfs/dbraw/zinc/35/70/33/428357033.db2.gz MDKNKYBTXIBZEX-LJQANCHMSA-N 2 1 321.428 2.883 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1Cc2ccccc2[C@H](n2cccn2)C1 ZINC000378293463 428357035 /nfs/dbraw/zinc/35/70/35/428357035.db2.gz MDKNKYBTXIBZEX-LJQANCHMSA-N 2 1 321.428 2.883 20 0 DFADMP COC(=O)CC[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000371099171 428360331 /nfs/dbraw/zinc/36/03/31/428360331.db2.gz LTPKFGPRGJZKRH-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000371099171 428360335 /nfs/dbraw/zinc/36/03/35/428360335.db2.gz LTPKFGPRGJZKRH-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000371099171 428360341 /nfs/dbraw/zinc/36/03/41/428360341.db2.gz LTPKFGPRGJZKRH-KRWDZBQOSA-N 2 1 304.434 2.536 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NCc1cnn2ccccc12 ZINC000353034292 428363208 /nfs/dbraw/zinc/36/32/08/428363208.db2.gz ARQPBUSQDZOIDO-QFBILLFUSA-N 2 1 320.440 2.944 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NCc1cnn2ccccc12 ZINC000353034292 428363213 /nfs/dbraw/zinc/36/32/13/428363213.db2.gz ARQPBUSQDZOIDO-QFBILLFUSA-N 2 1 320.440 2.944 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000414664884 428367796 /nfs/dbraw/zinc/36/77/96/428367796.db2.gz CYRDRAJQPHJUOW-UMNHJUIQSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)s1 ZINC000414664884 428367801 /nfs/dbraw/zinc/36/78/01/428367801.db2.gz CYRDRAJQPHJUOW-UMNHJUIQSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000414664611 428367919 /nfs/dbraw/zinc/36/79/19/428367919.db2.gz CYRDRAJQPHJUOW-HOSYDEDBSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000414664611 428367923 /nfs/dbraw/zinc/36/79/23/428367923.db2.gz CYRDRAJQPHJUOW-HOSYDEDBSA-N 2 1 315.280 2.988 20 0 DFADMP c1cc2nccc(C[NH2+]C3CC[NH+](C4CCCCC4)CC3)n2n1 ZINC000353046706 428369680 /nfs/dbraw/zinc/36/96/80/428369680.db2.gz SDOOJKXYOQYVCA-UHFFFAOYSA-N 2 1 313.449 2.616 20 0 DFADMP C[C@@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670245 428370081 /nfs/dbraw/zinc/37/00/81/428370081.db2.gz CSROAWDXTGIETD-KBPBESRZSA-N 2 1 323.868 2.530 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000357048321 428370273 /nfs/dbraw/zinc/37/02/73/428370273.db2.gz CTPYNXKVBBRWTE-IXDOHACOSA-N 2 1 311.514 2.825 20 0 DFADMP C[C@@H](c1ccccc1Cl)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414669068 428370436 /nfs/dbraw/zinc/37/04/36/428370436.db2.gz BEMTXNBNZNYQFL-UONOGXRCSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000414681372 428372688 /nfs/dbraw/zinc/37/26/88/428372688.db2.gz OXUTZSDTNSCNNR-INMHGKMJSA-N 2 1 316.445 2.983 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414680127 428372820 /nfs/dbraw/zinc/37/28/20/428372820.db2.gz SQPZRDHHCJXAAI-HZPDHXFCSA-N 2 1 303.450 2.562 20 0 DFADMP CC(C)C[C@H]([NH3+])CN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000414678233 428372939 /nfs/dbraw/zinc/37/29/39/428372939.db2.gz JWMUBHLXOZLTAJ-SFHVURJKSA-N 2 1 307.457 2.707 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414688777 428375049 /nfs/dbraw/zinc/37/50/49/428375049.db2.gz DYBSMIJLLYDDIP-HZPDHXFCSA-N 2 1 324.440 2.541 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](CCCO)[C@@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414688012 428377445 /nfs/dbraw/zinc/37/74/45/428377445.db2.gz CYCXRZQNPFGDKJ-JTDSTZFVSA-N 2 1 302.462 2.746 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000357071978 428378904 /nfs/dbraw/zinc/37/89/04/428378904.db2.gz CXMYJQOAZJGWRN-SJORKVTESA-N 2 1 300.446 2.856 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1C ZINC000357071978 428378911 /nfs/dbraw/zinc/37/89/11/428378911.db2.gz CXMYJQOAZJGWRN-SJORKVTESA-N 2 1 300.446 2.856 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC[C@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000353081716 428378937 /nfs/dbraw/zinc/37/89/37/428378937.db2.gz OEPQHUVKVKGWIK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353081716 428378941 /nfs/dbraw/zinc/37/89/41/428378941.db2.gz OEPQHUVKVKGWIK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353081716 428378948 /nfs/dbraw/zinc/37/89/48/428378948.db2.gz OEPQHUVKVKGWIK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353081716 428378951 /nfs/dbraw/zinc/37/89/51/428378951.db2.gz OEPQHUVKVKGWIK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353081716 428378958 /nfs/dbraw/zinc/37/89/58/428378958.db2.gz OEPQHUVKVKGWIK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H](C[NH3+])NC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414705648 428381132 /nfs/dbraw/zinc/38/11/32/428381132.db2.gz FVEPJVVNAYEGQC-AWEZNQCLSA-N 2 1 318.465 2.920 20 0 DFADMP CC(C)C[C@@H](N)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414703577 428381312 /nfs/dbraw/zinc/38/13/12/428381312.db2.gz CLOWDXOJQXNSNB-QGZVFWFLSA-N 2 1 304.482 2.603 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414703577 428381315 /nfs/dbraw/zinc/38/13/15/428381315.db2.gz CLOWDXOJQXNSNB-QGZVFWFLSA-N 2 1 304.482 2.603 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700877 428381548 /nfs/dbraw/zinc/38/15/48/428381548.db2.gz ZWRSXPRXBWMCGB-OTWHNJEPSA-N 3 1 307.526 2.818 20 0 DFADMP c1csc(-c2noc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000357075791 428381617 /nfs/dbraw/zinc/38/16/17/428381617.db2.gz JEKYHUDXJZBIBL-ZDUSSCGKSA-N 2 1 318.446 2.620 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713072 428383036 /nfs/dbraw/zinc/38/30/36/428383036.db2.gz VQQWUIFWQDRTFR-HZPDHXFCSA-N 2 1 310.445 2.619 20 0 DFADMP CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414714903 428383462 /nfs/dbraw/zinc/38/34/62/428383462.db2.gz WCLCBDNBCAERLL-JHJVBQTASA-N 2 1 312.483 2.704 20 0 DFADMP CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414714903 428383470 /nfs/dbraw/zinc/38/34/70/428383470.db2.gz WCLCBDNBCAERLL-JHJVBQTASA-N 2 1 312.483 2.704 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)NC1CCN(CC(F)(F)F)CC1 ZINC000353106180 428385631 /nfs/dbraw/zinc/38/56/31/428385631.db2.gz GUSOPDJFKSMAMP-ZDUSSCGKSA-N 2 1 309.420 2.723 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC1CCN(CC(F)(F)F)CC1 ZINC000353106180 428385638 /nfs/dbraw/zinc/38/56/38/428385638.db2.gz GUSOPDJFKSMAMP-ZDUSSCGKSA-N 2 1 309.420 2.723 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000353106180 428385644 /nfs/dbraw/zinc/38/56/44/428385644.db2.gz GUSOPDJFKSMAMP-ZDUSSCGKSA-N 2 1 309.420 2.723 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000353106180 428385651 /nfs/dbraw/zinc/38/56/51/428385651.db2.gz GUSOPDJFKSMAMP-ZDUSSCGKSA-N 2 1 309.420 2.723 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCC[C@H]2CCC2CCCC2)C1 ZINC000414715433 428386463 /nfs/dbraw/zinc/38/64/63/428386463.db2.gz WUGCARZAYWNWCL-MSOLQXFVSA-N 2 1 321.509 2.619 20 0 DFADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357101815 428386868 /nfs/dbraw/zinc/38/68/68/428386868.db2.gz DYQMXJXYQSFZHR-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000357101815 428386871 /nfs/dbraw/zinc/38/68/71/428386871.db2.gz DYQMXJXYQSFZHR-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357098906 428387122 /nfs/dbraw/zinc/38/71/22/428387122.db2.gz BXGCAPQMJARUBR-KGLIPLIRSA-N 2 1 314.351 2.669 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357098906 428387126 /nfs/dbraw/zinc/38/71/26/428387126.db2.gz BXGCAPQMJARUBR-KGLIPLIRSA-N 2 1 314.351 2.669 20 0 DFADMP COc1cc(C[NH2+][C@@H](C[NH3+])CC(C)C)ccc1OC(F)F ZINC000414854518 428435426 /nfs/dbraw/zinc/43/54/26/428435426.db2.gz VCGNLHMYWFBYLR-GFCCVEGCSA-N 2 1 302.365 2.760 20 0 DFADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCCC2)c(-c2ccncc2)n1 ZINC000414864465 428437967 /nfs/dbraw/zinc/43/79/67/428437967.db2.gz ZDEWAGJRQGDIJL-UHFFFAOYSA-N 2 1 313.449 2.623 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347096334 428442249 /nfs/dbraw/zinc/44/22/49/428442249.db2.gz HTGOZSWRGKUEAQ-UHFFFAOYSA-N 2 1 312.841 2.931 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+](C)C2CC[NH2+]CC2)cc1OC ZINC000347096334 428442253 /nfs/dbraw/zinc/44/22/53/428442253.db2.gz HTGOZSWRGKUEAQ-UHFFFAOYSA-N 2 1 312.841 2.931 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1OC(C)C ZINC000353236854 428443223 /nfs/dbraw/zinc/44/32/23/428443223.db2.gz DAASQPNSDKLVEG-CQSZACIVSA-N 2 1 315.417 2.853 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[NH2+]Cc2cccnc2)cc1F ZINC000414880558 428445172 /nfs/dbraw/zinc/44/51/72/428445172.db2.gz QFLFACACBWQLAZ-UHFFFAOYSA-N 2 1 317.408 2.889 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000357228514 428445160 /nfs/dbraw/zinc/44/51/60/428445160.db2.gz XZDHZEWKLVEKSV-WMLDXEAASA-N 2 1 323.506 2.589 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000357228514 428445163 /nfs/dbraw/zinc/44/51/63/428445163.db2.gz XZDHZEWKLVEKSV-WMLDXEAASA-N 2 1 323.506 2.589 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000357228514 428445170 /nfs/dbraw/zinc/44/51/70/428445170.db2.gz XZDHZEWKLVEKSV-WMLDXEAASA-N 2 1 323.506 2.589 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357232341 428445862 /nfs/dbraw/zinc/44/58/62/428445862.db2.gz NTBKFALWPOROAK-JQHSSLGASA-N 2 1 322.518 2.601 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357241509 428450230 /nfs/dbraw/zinc/45/02/30/428450230.db2.gz XLJYWNRVKYSNNL-JENIJYKNSA-N 2 1 320.477 2.538 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[S@](C)=O ZINC000357238353 428450358 /nfs/dbraw/zinc/45/03/58/428450358.db2.gz PWUZMBMTBAMQOK-LYNVYRENSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[S@](C)=O ZINC000357238353 428450365 /nfs/dbraw/zinc/45/03/65/428450365.db2.gz PWUZMBMTBAMQOK-LYNVYRENSA-N 2 1 322.518 2.644 20 0 DFADMP Clc1ccc2ncc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2c1 ZINC000347112863 428452469 /nfs/dbraw/zinc/45/24/69/428452469.db2.gz SAACNZOXLVXNJE-INIZCTEOSA-N 2 1 318.852 2.952 20 0 DFADMP c1cc(C2([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)CC2)cc2c1OCO2 ZINC000347121103 428455723 /nfs/dbraw/zinc/45/57/23/428455723.db2.gz CHGMGOATOXTYSI-CABCVRRESA-N 2 1 300.402 2.621 20 0 DFADMP c1cc(C2([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)cc2c1OCO2 ZINC000347121103 428455725 /nfs/dbraw/zinc/45/57/25/428455725.db2.gz CHGMGOATOXTYSI-CABCVRRESA-N 2 1 300.402 2.621 20 0 DFADMP Cc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000372536828 428456935 /nfs/dbraw/zinc/45/69/35/428456935.db2.gz PCWMRJALDONUID-UHFFFAOYSA-N 2 1 301.478 2.993 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414940893 428463685 /nfs/dbraw/zinc/46/36/85/428463685.db2.gz KWVNDALDWZKUGZ-UHFFFAOYSA-N 2 1 302.397 2.552 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)OCCO2 ZINC000347138869 428464909 /nfs/dbraw/zinc/46/49/09/428464909.db2.gz VKOWCEKNGKEBCR-OLZOCXBDSA-N 2 1 322.474 2.739 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)OCCO2 ZINC000347138869 428464914 /nfs/dbraw/zinc/46/49/14/428464914.db2.gz VKOWCEKNGKEBCR-OLZOCXBDSA-N 2 1 322.474 2.739 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000387831878 428465291 /nfs/dbraw/zinc/46/52/91/428465291.db2.gz ZHIBHRRGGXVQBK-BRWVUGGUSA-N 2 1 303.450 2.879 20 0 DFADMP Cc1cc(Br)c(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)s1 ZINC000414944239 428466632 /nfs/dbraw/zinc/46/66/32/428466632.db2.gz PKLDDJRFIBOAMR-KCJUWKMLSA-N 2 1 303.269 2.907 20 0 DFADMP Cc1cc(Br)c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414944237 428466744 /nfs/dbraw/zinc/46/67/44/428466744.db2.gz PKLDDJRFIBOAMR-GZMMTYOYSA-N 2 1 303.269 2.907 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347144327 428467602 /nfs/dbraw/zinc/46/76/02/428467602.db2.gz XOKGJXNJWYJMAC-QGZVFWFLSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347144327 428467605 /nfs/dbraw/zinc/46/76/05/428467605.db2.gz XOKGJXNJWYJMAC-QGZVFWFLSA-N 2 1 311.429 2.702 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@]2(C1)CCCOC2 ZINC000342844850 428469149 /nfs/dbraw/zinc/46/91/49/428469149.db2.gz VBCWDMDGAZJDRP-GOSISDBHSA-N 2 1 312.417 2.578 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000414798536 428415066 /nfs/dbraw/zinc/41/50/66/428415066.db2.gz JKUVDTASYLXOCW-LPHOPBHVSA-N 2 1 319.468 2.550 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000347032465 428416257 /nfs/dbraw/zinc/41/62/57/428416257.db2.gz ABMQIHGWSWECEG-AWEZNQCLSA-N 2 1 318.852 2.875 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000347032465 428416262 /nfs/dbraw/zinc/41/62/62/428416262.db2.gz ABMQIHGWSWECEG-AWEZNQCLSA-N 2 1 318.852 2.875 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)cnc21 ZINC000347037852 428418844 /nfs/dbraw/zinc/41/88/44/428418844.db2.gz FZTKGPDDKVXUNC-DZGCQCFKSA-N 2 1 301.438 2.571 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[S@](=O)[C@@H](C)[C@H]1C ZINC000360735205 428419145 /nfs/dbraw/zinc/41/91/45/428419145.db2.gz GPVHFDXIFPWLMO-GTQRCTGISA-N 2 1 317.458 2.522 20 0 DFADMP CCOc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)O[C@@H](C)C2 ZINC000414819930 428422551 /nfs/dbraw/zinc/42/25/51/428422551.db2.gz ZYLRZMMOKPDPKC-QIXHYMPYSA-N 2 1 316.445 2.781 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OCc2noc(C)n2)cc1 ZINC000414816560 428422953 /nfs/dbraw/zinc/42/29/53/428422953.db2.gz QANQSBSHYZCMDK-HNNXBMFYSA-N 2 1 318.421 2.564 20 0 DFADMP Fc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC(F)F ZINC000414831867 428426689 /nfs/dbraw/zinc/42/66/89/428426689.db2.gz QDSNVHZBXJYUGJ-FOSCPWQOSA-N 2 1 300.324 2.800 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1 ZINC000414829233 428427984 /nfs/dbraw/zinc/42/79/84/428427984.db2.gz NMWNGZHXWWCNIU-MRXNPFEDSA-N 2 1 311.429 2.750 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000347057439 428430486 /nfs/dbraw/zinc/43/04/86/428430486.db2.gz OWYCRIDJHSCWCN-UHFFFAOYSA-N 2 1 309.429 2.544 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347178247 428482535 /nfs/dbraw/zinc/48/25/35/428482535.db2.gz SMFIYHUIQBUACH-ZDUSSCGKSA-N 2 1 302.397 2.647 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347178247 428482538 /nfs/dbraw/zinc/48/25/38/428482538.db2.gz SMFIYHUIQBUACH-ZDUSSCGKSA-N 2 1 302.397 2.647 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1Cc2ccc(Cl)cc2C1 ZINC000414995588 428482805 /nfs/dbraw/zinc/48/28/05/428482805.db2.gz FTRKJMARXWPXKY-GXTWGEPZSA-N 2 1 300.780 2.642 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000360897337 428483826 /nfs/dbraw/zinc/48/38/26/428483826.db2.gz MAYSDQYRWKIVCX-IAGOWNOFSA-N 2 1 304.478 2.642 20 0 DFADMP Cc1ccc2cc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)ccc2n1 ZINC000415010091 428487635 /nfs/dbraw/zinc/48/76/35/428487635.db2.gz XZLZJTSDNUEOSV-HNNXBMFYSA-N 2 1 305.372 2.878 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+][C@@H](C)[C@H](C)[NH3+])cc2)cs1 ZINC000415019155 428490572 /nfs/dbraw/zinc/49/05/72/428490572.db2.gz ROKAOKXDJHXKAR-RYUDHWBXSA-N 2 1 305.447 2.856 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415045961 428497700 /nfs/dbraw/zinc/49/77/00/428497700.db2.gz URSOSPNTVWTUSR-QZTJIDSGSA-N 3 1 303.494 2.862 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415045961 428497705 /nfs/dbraw/zinc/49/77/05/428497705.db2.gz URSOSPNTVWTUSR-QZTJIDSGSA-N 2 1 303.494 2.862 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415052691 428500509 /nfs/dbraw/zinc/50/05/09/428500509.db2.gz NLWBPOBMUGVTDG-ZBFHGGJFSA-N 2 1 322.522 2.953 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415052691 428500513 /nfs/dbraw/zinc/50/05/13/428500513.db2.gz NLWBPOBMUGVTDG-ZBFHGGJFSA-N 2 1 322.522 2.953 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415053499 428501287 /nfs/dbraw/zinc/50/12/87/428501287.db2.gz KCHWTBBOFXXQGQ-DNVCBOLYSA-N 2 1 312.461 2.812 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000396679617 428502075 /nfs/dbraw/zinc/50/20/75/428502075.db2.gz VJZJOCVVAYUGNQ-VNVJMFPYSA-N 2 1 313.489 2.912 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000360947511 428502685 /nfs/dbraw/zinc/50/26/85/428502685.db2.gz NSFQTORKJBYTIV-WBVHZDCISA-N 2 1 317.477 2.594 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000360947511 428502689 /nfs/dbraw/zinc/50/26/89/428502689.db2.gz NSFQTORKJBYTIV-WBVHZDCISA-N 2 1 317.477 2.594 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC000360947547 428503841 /nfs/dbraw/zinc/50/38/41/428503841.db2.gz NWVDKRABBSIACQ-ZWKOTPCHSA-N 2 1 323.525 2.735 20 0 DFADMP COc1ccc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc1OC(F)F ZINC000415054793 428503990 /nfs/dbraw/zinc/50/39/90/428503990.db2.gz QMKMXMDLMZVFIR-CYBMUJFWSA-N 2 1 314.376 2.904 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000360947508 428504676 /nfs/dbraw/zinc/50/46/76/428504676.db2.gz NSFQTORKJBYTIV-DOTOQJQBSA-N 2 1 317.477 2.594 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000360947508 428504684 /nfs/dbraw/zinc/50/46/84/428504684.db2.gz NSFQTORKJBYTIV-DOTOQJQBSA-N 2 1 317.477 2.594 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347234648 428505875 /nfs/dbraw/zinc/50/58/75/428505875.db2.gz ZUCUTBLGOXJRQB-GFCCVEGCSA-N 2 1 302.340 2.798 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(OC)c1OC ZINC000397243852 428506052 /nfs/dbraw/zinc/50/60/52/428506052.db2.gz AVAKBRKRZUZCAJ-GUTXKFCHSA-N 2 1 322.449 2.518 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)c(OC)c1OC ZINC000397243852 428506056 /nfs/dbraw/zinc/50/60/56/428506056.db2.gz AVAKBRKRZUZCAJ-GUTXKFCHSA-N 2 1 322.449 2.518 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059740 428506893 /nfs/dbraw/zinc/50/68/93/428506893.db2.gz YTKKBIKJGJTYNE-ZAWLATJESA-N 2 1 301.478 2.739 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059740 428506896 /nfs/dbraw/zinc/50/68/96/428506896.db2.gz YTKKBIKJGJTYNE-ZAWLATJESA-N 2 1 301.478 2.739 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059740 428506899 /nfs/dbraw/zinc/50/68/99/428506899.db2.gz YTKKBIKJGJTYNE-ZAWLATJESA-N 2 1 301.478 2.739 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C[N@H+]1C1CC1 ZINC000372967060 428507144 /nfs/dbraw/zinc/50/71/44/428507144.db2.gz SWWJDLFHQYTAHK-IIDMSEBBSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C[NH+]1C1CC1 ZINC000372967060 428507151 /nfs/dbraw/zinc/50/71/51/428507151.db2.gz SWWJDLFHQYTAHK-IIDMSEBBSA-N 2 1 319.493 2.525 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C[NH+]1C1CC1 ZINC000372967060 428507160 /nfs/dbraw/zinc/50/71/60/428507160.db2.gz SWWJDLFHQYTAHK-IIDMSEBBSA-N 2 1 319.493 2.525 20 0 DFADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[N@H+](CC)C[C@@H]2C)cc1 ZINC000343034654 428507110 /nfs/dbraw/zinc/50/71/10/428507110.db2.gz OUTDXVXAGZKRDH-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[N@@H+](CC)C[C@@H]2C)cc1 ZINC000343034654 428507114 /nfs/dbraw/zinc/50/71/14/428507114.db2.gz OUTDXVXAGZKRDH-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)ccc1OC(F)F ZINC000415060818 428507629 /nfs/dbraw/zinc/50/76/29/428507629.db2.gz YXDBLULCOBHBIQ-CYBMUJFWSA-N 2 1 314.376 2.904 20 0 DFADMP Clc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415061965 428507822 /nfs/dbraw/zinc/50/78/22/428507822.db2.gz ZMRQHMGRLCRXRS-UHFFFAOYSA-N 2 1 307.869 2.646 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@H](C[NH3+])C3CCCC3)cnc21 ZINC000415067787 428510272 /nfs/dbraw/zinc/51/02/72/428510272.db2.gz PQXQDSGRYZVEKW-MRXNPFEDSA-N 2 1 301.438 2.619 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC ZINC000415068975 428511000 /nfs/dbraw/zinc/51/10/00/428511000.db2.gz RYJFRFPEUAUXCM-HNNXBMFYSA-N 2 1 322.449 2.710 20 0 DFADMP CC[C@H](C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)OC ZINC000397498222 428511219 /nfs/dbraw/zinc/51/12/19/428511219.db2.gz DDZXDJOECFOJPN-CEXWTWQISA-N 2 1 302.462 2.865 20 0 DFADMP CC[C@H](C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000397498222 428511223 /nfs/dbraw/zinc/51/12/23/428511223.db2.gz DDZXDJOECFOJPN-CEXWTWQISA-N 2 1 302.462 2.865 20 0 DFADMP CC[C@H](C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)OC ZINC000397498222 428511228 /nfs/dbraw/zinc/51/12/28/428511228.db2.gz DDZXDJOECFOJPN-CEXWTWQISA-N 2 1 302.462 2.865 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415082896 428512437 /nfs/dbraw/zinc/51/24/37/428512437.db2.gz PAQBRQUYNQYJLM-IPMKNSEASA-N 2 1 301.478 2.944 20 0 DFADMP CC[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1)OC ZINC000397498225 428512815 /nfs/dbraw/zinc/51/28/15/428512815.db2.gz DDZXDJOECFOJPN-IPMKNSEASA-N 2 1 302.462 2.865 20 0 DFADMP CC[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1)OC ZINC000397498225 428512821 /nfs/dbraw/zinc/51/28/21/428512821.db2.gz DDZXDJOECFOJPN-IPMKNSEASA-N 2 1 302.462 2.865 20 0 DFADMP CC[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1)OC ZINC000397498225 428512826 /nfs/dbraw/zinc/51/28/26/428512826.db2.gz DDZXDJOECFOJPN-IPMKNSEASA-N 2 1 302.462 2.865 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@H]1C)C(C)(C)n1cncn1 ZINC000353388410 428514381 /nfs/dbraw/zinc/51/43/81/428514381.db2.gz PTFCLYGLOMMULH-CVEARBPZSA-N 2 1 307.486 2.646 20 0 DFADMP C[C@]1(CN[C@H]2CCC[C@@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397981229 428515801 /nfs/dbraw/zinc/51/58/01/428515801.db2.gz GYORKLLJHDOBDB-CEXWTWQISA-N 2 1 301.478 2.758 20 0 DFADMP C[C@]1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CCCN1Cc1ccccc1 ZINC000397981229 428515805 /nfs/dbraw/zinc/51/58/05/428515805.db2.gz GYORKLLJHDOBDB-CEXWTWQISA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000398026307 428517725 /nfs/dbraw/zinc/51/77/25/428517725.db2.gz MBFOMZVZAUHZIA-UKBAYJJMSA-N 2 1 301.478 2.770 20 0 DFADMP Cc1ccc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000353390189 428517973 /nfs/dbraw/zinc/51/79/73/428517973.db2.gz YTJKGWZWPCAWSA-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000398038575 428519859 /nfs/dbraw/zinc/51/98/59/428519859.db2.gz QXPBLXHUBOQLRB-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@@H+]1C ZINC000357408551 428520409 /nfs/dbraw/zinc/52/04/09/428520409.db2.gz GOGSAXMVLPPVOB-UHOFOFEASA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[N@H+]1C ZINC000357408551 428520411 /nfs/dbraw/zinc/52/04/11/428520411.db2.gz GOGSAXMVLPPVOB-UHOFOFEASA-N 2 1 323.868 2.542 20 0 DFADMP Brc1ccc2c(c1)[C@H]([NH2+]C1CC[NH2+]CC1)CCO2 ZINC000415101581 428522066 /nfs/dbraw/zinc/52/20/66/428522066.db2.gz IVGPJZPKKSNJAU-CYBMUJFWSA-N 2 1 311.223 2.614 20 0 DFADMP CC[C@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000357417075 428523500 /nfs/dbraw/zinc/52/35/00/428523500.db2.gz NQRBXFDUZHJBGS-KRWDZBQOSA-N 2 1 303.494 2.960 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@H]1C[NH3+] ZINC000415120063 428527813 /nfs/dbraw/zinc/52/78/13/428527813.db2.gz FURWZPLYGQKXCQ-SZVBFZGTSA-N 2 1 318.461 2.661 20 0 DFADMP Clc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1 ZINC000415123169 428528373 /nfs/dbraw/zinc/52/83/73/428528373.db2.gz AFDBKCUMJGHVAK-CVEARBPZSA-N 2 1 306.837 2.540 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414956693 428472370 /nfs/dbraw/zinc/47/23/70/428472370.db2.gz NQXOZQDXFIJDRN-FZMZJTMJSA-N 2 1 312.841 2.835 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390551563 428472519 /nfs/dbraw/zinc/47/25/19/428472519.db2.gz CQNYNUHPGGPHCA-WDSOQIARSA-N 2 1 301.478 2.771 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414957210 428473524 /nfs/dbraw/zinc/47/35/24/428473524.db2.gz VWTCWMZDWHLCDB-GXFFZTMASA-N 2 1 313.239 2.688 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390916681 428477322 /nfs/dbraw/zinc/47/73/22/428477322.db2.gz FTRPCCBIHKINOB-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390916681 428477329 /nfs/dbraw/zinc/47/73/29/428477329.db2.gz FTRPCCBIHKINOB-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000361021596 428530810 /nfs/dbraw/zinc/53/08/10/428530810.db2.gz BENSAZOIPJEOJZ-ZIAGYGMSSA-N 2 1 307.507 2.884 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)[NH+](CC)CC ZINC000358123532 428583608 /nfs/dbraw/zinc/58/36/08/428583608.db2.gz MVWIQEPVDJLRFK-XYJFISCASA-N 2 1 323.525 2.876 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H](O)CC1CCCC1)Cc1ccco1 ZINC000353543981 428584770 /nfs/dbraw/zinc/58/47/70/428584770.db2.gz ORKGHUKLLJOFLF-QGZVFWFLSA-N 2 1 308.466 2.975 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000358256931 428590519 /nfs/dbraw/zinc/59/05/19/428590519.db2.gz RNSSYLQJRPZGQW-YJBOKZPZSA-N 2 1 316.470 2.935 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000358256931 428590529 /nfs/dbraw/zinc/59/05/29/428590529.db2.gz RNSSYLQJRPZGQW-YJBOKZPZSA-N 2 1 316.470 2.935 20 0 DFADMP COc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000358265242 428591630 /nfs/dbraw/zinc/59/16/30/428591630.db2.gz ZJAHSKOPMGUKIK-OALUTQOASA-N 2 1 318.461 2.583 20 0 DFADMP COc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000358265242 428591635 /nfs/dbraw/zinc/59/16/35/428591635.db2.gz ZJAHSKOPMGUKIK-OALUTQOASA-N 2 1 318.461 2.583 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000415131455 428532990 /nfs/dbraw/zinc/53/29/90/428532990.db2.gz SHGITCLOTMLSFZ-PWSUYJOCSA-N 2 1 302.340 2.844 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000415131455 428532995 /nfs/dbraw/zinc/53/29/95/428532995.db2.gz SHGITCLOTMLSFZ-PWSUYJOCSA-N 2 1 302.340 2.844 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133408 428533099 /nfs/dbraw/zinc/53/30/99/428533099.db2.gz VFLCKXGGIRCFSR-DOTOQJQBSA-N 2 1 312.461 2.812 20 0 DFADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000415130691 428533287 /nfs/dbraw/zinc/53/32/87/428533287.db2.gz RKDUWHYYOCVETM-GOSISDBHSA-N 2 1 321.428 2.727 20 0 DFADMP Cc1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(C)s1 ZINC000415136881 428533932 /nfs/dbraw/zinc/53/39/32/428533932.db2.gz IAZQGDDCHJDKMN-CVEARBPZSA-N 2 1 306.475 2.565 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534247 /nfs/dbraw/zinc/53/42/47/428534247.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 2 1 313.489 2.723 20 0 DFADMP C[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534249 /nfs/dbraw/zinc/53/42/49/428534249.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 2 1 313.489 2.723 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534251 /nfs/dbraw/zinc/53/42/51/428534251.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534254 /nfs/dbraw/zinc/53/42/54/428534254.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353432877 428534257 /nfs/dbraw/zinc/53/42/57/428534257.db2.gz DAUUGWIXTHOOLE-FUMNGEBKSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[NH2+]1 ZINC000399060380 428534905 /nfs/dbraw/zinc/53/49/05/428534905.db2.gz LKNDLILOMVFGQQ-RWQQGDIJSA-N 2 1 301.478 2.770 20 0 DFADMP CCN(CCC[NH+]1CCC([NH+]2CCCC2)CC1)CC(F)(F)F ZINC000347305564 428538861 /nfs/dbraw/zinc/53/88/61/428538861.db2.gz VEPBJPXETMPWII-UHFFFAOYSA-N 2 1 321.431 2.821 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000399673494 428542203 /nfs/dbraw/zinc/54/22/03/428542203.db2.gz SYJVRQMZLBVXAY-TUVJXNFZSA-N 2 1 300.446 2.666 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@@H]2CCCCO2)cc1 ZINC000399673494 428542208 /nfs/dbraw/zinc/54/22/08/428542208.db2.gz SYJVRQMZLBVXAY-TUVJXNFZSA-N 2 1 300.446 2.666 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H]2CCC[C@@H]21 ZINC000353451485 428543072 /nfs/dbraw/zinc/54/30/72/428543072.db2.gz ABCJDMAOUYANOF-AABGKKOBSA-N 2 1 324.472 2.877 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400327729 428543341 /nfs/dbraw/zinc/54/33/41/428543341.db2.gz CTKXVWOWMXOVQS-WDSOQIARSA-N 2 1 301.478 2.771 20 0 DFADMP CO[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000400156955 428543651 /nfs/dbraw/zinc/54/36/51/428543651.db2.gz FARAHDGFQSSZAQ-VAMGGRTRSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000400156955 428543655 /nfs/dbraw/zinc/54/36/55/428543655.db2.gz FARAHDGFQSSZAQ-VAMGGRTRSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1)C1CC1 ZINC000400156955 428543660 /nfs/dbraw/zinc/54/36/60/428543660.db2.gz FARAHDGFQSSZAQ-VAMGGRTRSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400327724 428544095 /nfs/dbraw/zinc/54/40/95/428544095.db2.gz CTKXVWOWMXOVQS-QXAKKESOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400442859 428545303 /nfs/dbraw/zinc/54/53/03/428545303.db2.gz ORTZYHYOGOKLQT-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400442859 428545308 /nfs/dbraw/zinc/54/53/08/428545308.db2.gz ORTZYHYOGOKLQT-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400442861 428545790 /nfs/dbraw/zinc/54/57/90/428545790.db2.gz ORTZYHYOGOKLQT-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400442861 428545794 /nfs/dbraw/zinc/54/57/94/428545794.db2.gz ORTZYHYOGOKLQT-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000400734279 428547839 /nfs/dbraw/zinc/54/78/39/428547839.db2.gz RIJBNGPKBJETCR-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353465824 428550120 /nfs/dbraw/zinc/55/01/20/428550120.db2.gz ZLDCRVUWTKJLMC-RCCFBDPRSA-N 2 1 318.461 2.674 20 0 DFADMP C[N@@H+](C[C@@H]1CCSC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000373330229 428550462 /nfs/dbraw/zinc/55/04/62/428550462.db2.gz CWOIZPOUZMKFRH-INIZCTEOSA-N 2 1 305.491 2.983 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000401004067 428551265 /nfs/dbraw/zinc/55/12/65/428551265.db2.gz ASJKKUQBLBUIDO-VBSBHUPXSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N(C)Cc1ccccc1 ZINC000401004067 428551267 /nfs/dbraw/zinc/55/12/67/428551267.db2.gz ASJKKUQBLBUIDO-VBSBHUPXSA-N 2 1 315.505 2.875 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)N[C@@H](c1ncc[nH]1)c1cccnc1 ZINC000353482838 428556083 /nfs/dbraw/zinc/55/60/83/428556083.db2.gz NISXXUPZNWNJDN-GOEBONIOSA-N 2 1 301.438 2.604 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000361328775 428557348 /nfs/dbraw/zinc/55/73/48/428557348.db2.gz QYKBXJYYPFGGOB-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361328775 428557354 /nfs/dbraw/zinc/55/73/54/428557354.db2.gz QYKBXJYYPFGGOB-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361328775 428557360 /nfs/dbraw/zinc/55/73/60/428557360.db2.gz QYKBXJYYPFGGOB-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000373386702 428562433 /nfs/dbraw/zinc/56/24/33/428562433.db2.gz IDFZIVWYMJEBQJ-SJORKVTESA-N 2 1 310.445 2.897 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000373386702 428562439 /nfs/dbraw/zinc/56/24/39/428562439.db2.gz IDFZIVWYMJEBQJ-SJORKVTESA-N 2 1 310.445 2.897 20 0 DFADMP C[C@H](NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000353494690 428565467 /nfs/dbraw/zinc/56/54/67/428565467.db2.gz QGONJPNSAKLSKH-CYJAXWMASA-N 2 1 317.477 2.667 20 0 DFADMP C[C@@H]1CN(C(=O)CCCC[NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404314476 428566551 /nfs/dbraw/zinc/56/65/51/428566551.db2.gz NIDKIBFBUZFMOJ-IXDOHACOSA-N 2 1 317.477 2.625 20 0 DFADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000357857104 428566924 /nfs/dbraw/zinc/56/69/24/428566924.db2.gz LBGCJSFDQURGFK-VJFUWPCTSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@H]1CCC[N@H+](CCCn2c3ccccc3[nH]c2=O)[C@H]1CC[NH3+] ZINC000404351805 428569510 /nfs/dbraw/zinc/56/95/10/428569510.db2.gz JSZKWBMOGIYUBO-HOCLYGCPSA-N 2 1 316.449 2.581 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCn2c3ccccc3[nH]c2=O)[C@H]1CC[NH3+] ZINC000404351805 428569514 /nfs/dbraw/zinc/56/95/14/428569514.db2.gz JSZKWBMOGIYUBO-HOCLYGCPSA-N 2 1 316.449 2.581 20 0 DFADMP C[C@@H]1CCC[N@H+](CCCn2c3ccccc3[nH]c2=O)[C@@H]1CC[NH3+] ZINC000404351800 428570112 /nfs/dbraw/zinc/57/01/12/428570112.db2.gz JSZKWBMOGIYUBO-GDBMZVCRSA-N 2 1 316.449 2.581 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCn2c3ccccc3[nH]c2=O)[C@@H]1CC[NH3+] ZINC000404351800 428570116 /nfs/dbraw/zinc/57/01/16/428570116.db2.gz JSZKWBMOGIYUBO-GDBMZVCRSA-N 2 1 316.449 2.581 20 0 DFADMP CC(C)[C@H](CNC1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000358002567 428575435 /nfs/dbraw/zinc/57/54/35/428575435.db2.gz GRJOKCPBJWTKNQ-FQEVSTJZSA-N 2 1 315.505 2.753 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353572815 428600748 /nfs/dbraw/zinc/60/07/48/428600748.db2.gz ZCQUYVIHNPOUCZ-AWEZNQCLSA-N 2 1 310.511 2.822 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353572815 428600754 /nfs/dbraw/zinc/60/07/54/428600754.db2.gz ZCQUYVIHNPOUCZ-AWEZNQCLSA-N 2 1 310.511 2.822 20 0 DFADMP CSC[C@@H](O)C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000373600563 428615218 /nfs/dbraw/zinc/61/52/18/428615218.db2.gz DIULEACDIGPMRC-PREGVCBESA-N 2 1 314.539 2.685 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2C[N@H+](C(C)C)C[C@H]2C)c1 ZINC000415908492 428621583 /nfs/dbraw/zinc/62/15/83/428621583.db2.gz PQXDELFCXQDRMX-RHSMWYFYSA-N 2 1 318.465 2.646 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@H](C)C1 ZINC000353608195 428621469 /nfs/dbraw/zinc/62/14/69/428621469.db2.gz HTUINUCRAFIOLQ-KMFMINBZSA-N 2 1 308.491 2.856 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)C[C@@H]1C ZINC000415903588 428623107 /nfs/dbraw/zinc/62/31/07/428623107.db2.gz AHSSXDRBKQBNJK-HOCLYGCPSA-N 2 1 318.465 2.743 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)C[C@H]1C ZINC000415903589 428623294 /nfs/dbraw/zinc/62/32/94/428623294.db2.gz AHSSXDRBKQBNJK-ZBFHGGJFSA-N 2 1 318.465 2.743 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000415917227 428626147 /nfs/dbraw/zinc/62/61/47/428626147.db2.gz CJOCKFREMNBATP-INIZCTEOSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000415934605 428631355 /nfs/dbraw/zinc/63/13/55/428631355.db2.gz RPBBBKFKZPMEAZ-LSDHHAIUSA-N 2 1 318.465 2.790 20 0 DFADMP CC(C)c1nccc(NCC[N@@H+](C)Cc2ccc(F)cc2)n1 ZINC000362131276 428632725 /nfs/dbraw/zinc/63/27/25/428632725.db2.gz XCHAAZFQCHFDSU-UHFFFAOYSA-N 2 1 302.397 3.283 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000358371959 428595320 /nfs/dbraw/zinc/59/53/20/428595320.db2.gz WJGZRCWUIHNDLO-LXZKKBNFSA-N 2 1 301.434 2.557 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000358371959 428595326 /nfs/dbraw/zinc/59/53/26/428595326.db2.gz WJGZRCWUIHNDLO-LXZKKBNFSA-N 2 1 301.434 2.557 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1O ZINC000353651678 428638156 /nfs/dbraw/zinc/63/81/56/428638156.db2.gz DEBNZVNZDJDAFC-HUUCEWRRSA-N 2 1 322.449 2.552 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1O ZINC000353651678 428638160 /nfs/dbraw/zinc/63/81/60/428638160.db2.gz DEBNZVNZDJDAFC-HUUCEWRRSA-N 2 1 322.449 2.552 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415974970 428640455 /nfs/dbraw/zinc/64/04/55/428640455.db2.gz LORBTHRNUHRGOW-MRXNPFEDSA-N 2 1 318.465 2.635 20 0 DFADMP COCC[C@H](COC)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000353654003 428642059 /nfs/dbraw/zinc/64/20/59/428642059.db2.gz ZGBBHWCFKNMIQZ-RHSMWYFYSA-N 2 1 317.433 2.883 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000373699293 428635863 /nfs/dbraw/zinc/63/58/63/428635863.db2.gz IBANVXDHUBJGFH-QAPCUYQASA-N 2 1 303.450 2.797 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000353660668 428645427 /nfs/dbraw/zinc/64/54/27/428645427.db2.gz CSXGMJGKRKFJOK-OFQRWUPVSA-N 2 1 323.506 2.765 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000268855221 274136085 /nfs/dbraw/zinc/13/60/85/274136085.db2.gz QPYPLMAFLIDSLF-VQIMIIECSA-N 2 1 318.461 2.509 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2[NH2+]CCC[C@H]2C1 ZINC000353673978 428652438 /nfs/dbraw/zinc/65/24/38/428652438.db2.gz QMMCEJWYGXXZIL-OALUTQOASA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)c1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678174 274250280 /nfs/dbraw/zinc/25/02/80/274250280.db2.gz XZELOUXRFLMRIM-SUMDDJOVSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(-n2ccnc2)cc1 ZINC000279017198 274250899 /nfs/dbraw/zinc/25/08/99/274250899.db2.gz UJBQZMNPQJPZGC-HZPDHXFCSA-N 2 1 321.428 2.982 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1nc2ccccc2n1C ZINC000278918174 274251038 /nfs/dbraw/zinc/25/10/38/274251038.db2.gz HNOQRCROHGPYCM-ZIAGYGMSSA-N 2 1 309.417 2.683 20 0 DFADMP C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155068 428665596 /nfs/dbraw/zinc/66/55/96/428665596.db2.gz AASQGWCNUYWOPP-GUDVDZBRSA-N 2 1 306.494 2.999 20 0 DFADMP C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155068 428665600 /nfs/dbraw/zinc/66/56/00/428665600.db2.gz AASQGWCNUYWOPP-GUDVDZBRSA-N 2 1 306.494 2.999 20 0 DFADMP C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)CC1CCOCC1 ZINC000374155068 428665603 /nfs/dbraw/zinc/66/56/03/428665603.db2.gz AASQGWCNUYWOPP-GUDVDZBRSA-N 2 1 306.494 2.999 20 0 DFADMP Oc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000348232240 428667706 /nfs/dbraw/zinc/66/77/06/428667706.db2.gz QKZZEFLJDQGOKJ-KZNAEPCWSA-N 2 1 323.440 2.787 20 0 DFADMP Oc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000348232240 428667711 /nfs/dbraw/zinc/66/77/11/428667711.db2.gz QKZZEFLJDQGOKJ-KZNAEPCWSA-N 2 1 323.440 2.787 20 0 DFADMP CO[C@]1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CCOC1 ZINC000348223524 428663346 /nfs/dbraw/zinc/66/33/46/428663346.db2.gz SXKPVPZBBIICCU-KDOFPFPSSA-N 2 1 315.417 2.637 20 0 DFADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000246829342 274320362 /nfs/dbraw/zinc/32/03/62/274320362.db2.gz BPPPVZQABJMZJL-SPYBWZPUSA-N 2 1 320.452 2.886 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000371429741 274340124 /nfs/dbraw/zinc/34/01/24/274340124.db2.gz GUVMATOHMMMWRI-CLCXKQKWSA-N 2 1 312.461 2.905 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1 ZINC000155440969 274340621 /nfs/dbraw/zinc/34/06/21/274340621.db2.gz CDKWBHNNKGYBNK-GKLJAUDBSA-N 2 1 323.431 2.862 20 0 DFADMP CO[C@]1(C)CCC[NH+](C/C=C\C[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348235609 428671115 /nfs/dbraw/zinc/67/11/15/428671115.db2.gz MDCGKDCUNDDIEV-OSFIAYCASA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cccc3c2OCCO3)CC1 ZINC000374322435 428674558 /nfs/dbraw/zinc/67/45/58/428674558.db2.gz CZCBUZGVVKAJIS-UHFFFAOYSA-N 2 1 302.418 2.518 20 0 DFADMP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000362310685 428697947 /nfs/dbraw/zinc/69/79/47/428697947.db2.gz UZYVQXQOFKXYFN-BRWVUGGUSA-N 2 1 314.539 2.855 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2cnc([C@@H]3CCCO3)s2)CC[N@H+]1C ZINC000353756579 428698488 /nfs/dbraw/zinc/69/84/88/428698488.db2.gz WDZXKVSIAGZQRH-NFAWXSAZSA-N 2 1 309.479 2.909 20 0 DFADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(F)cc2F)CC1 ZINC000362310778 428698564 /nfs/dbraw/zinc/69/85/64/428698564.db2.gz WFGUXFXSSZXOTM-UHFFFAOYSA-N 2 1 324.415 2.899 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3[C@H]([NH2+]CC4=CCCOC4)CC[C@@H]3C2)cc1 ZINC000374605482 428709267 /nfs/dbraw/zinc/70/92/67/428709267.db2.gz PGAXWZXMADZFIO-HSALFYBXSA-N 2 1 312.457 2.833 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1=CCCCC1 ZINC000358869526 428713630 /nfs/dbraw/zinc/71/36/30/428713630.db2.gz FLELOKYJTZEQQP-GOSISDBHSA-N 2 1 321.509 2.751 20 0 DFADMP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)s1 ZINC000374626512 428716428 /nfs/dbraw/zinc/71/64/28/428716428.db2.gz VVRHAUIKNAIZAJ-CQSZACIVSA-N 2 1 321.534 2.965 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348374964 428723500 /nfs/dbraw/zinc/72/35/00/428723500.db2.gz GTXKZSZFRLWEMH-BFHYXJOUSA-N 2 1 308.388 2.806 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348374964 428723505 /nfs/dbraw/zinc/72/35/05/428723505.db2.gz GTXKZSZFRLWEMH-BFHYXJOUSA-N 2 1 308.388 2.806 20 0 DFADMP CCn1cc(CC[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000348376065 428724963 /nfs/dbraw/zinc/72/49/63/428724963.db2.gz IYCRZYZPQBZYMN-WBVHZDCISA-N 2 1 304.482 2.688 20 0 DFADMP CCn1cc(CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000348376064 428726288 /nfs/dbraw/zinc/72/62/88/428726288.db2.gz IYCRZYZPQBZYMN-RDJZCZTQSA-N 2 1 304.482 2.688 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000348385936 428729262 /nfs/dbraw/zinc/72/92/62/428729262.db2.gz WWVDWFRIFPKNHE-MNEFBYGVSA-N 2 1 302.462 2.922 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCSC2)[C@@H](C)C1 ZINC000348249786 428677404 /nfs/dbraw/zinc/67/74/04/428677404.db2.gz ZGWFPMMFJLOEFA-BBWFWOEESA-N 2 1 314.539 2.856 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416171583 428680146 /nfs/dbraw/zinc/68/01/46/428680146.db2.gz RBPJNSMPFLZXJP-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@H+]1C ZINC000344685275 428694672 /nfs/dbraw/zinc/69/46/72/428694672.db2.gz QGGCLRZYEBOFNK-YPMHNXCESA-N 2 1 320.387 2.927 20 0 DFADMP C[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411185932 428753629 /nfs/dbraw/zinc/75/36/29/428753629.db2.gz OLBBKNCWSYEFGF-KYHPRHEASA-N 2 1 317.477 2.667 20 0 DFADMP COC(=O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411175588 428754224 /nfs/dbraw/zinc/75/42/24/428754224.db2.gz DKIJYJOIHGPELL-SFHVURJKSA-N 2 1 316.445 2.667 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)c(F)c2)C[C@@H]1C ZINC000362481484 428762544 /nfs/dbraw/zinc/76/25/44/428762544.db2.gz XDRBIKNWGSHPGV-ZFWWWQNUSA-N 2 1 322.424 2.917 20 0 DFADMP CC(CC[NH+]1[C@H](C)COC[C@@H]1C)CC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000411279760 428769863 /nfs/dbraw/zinc/76/98/63/428769863.db2.gz CPOQESGOWCNVNE-USTZCAOPSA-N 2 1 312.498 2.621 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000353899970 428770049 /nfs/dbraw/zinc/77/00/49/428770049.db2.gz IJNCDKYYLJNEKG-ZWKOTPCHSA-N 2 1 321.509 2.728 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC1 ZINC000345145055 428770962 /nfs/dbraw/zinc/77/09/62/428770962.db2.gz RTOOZVOUKRXDCF-IBGZPJMESA-N 2 1 316.445 2.596 20 0 DFADMP Cc1nn2c(C[NH2+]CC3=CC[N@@H+](C)CC3)c(C(C)C)nc2s1 ZINC000345145813 428772390 /nfs/dbraw/zinc/77/23/90/428772390.db2.gz RYUBRYWNHRFISB-UHFFFAOYSA-N 2 1 319.478 2.574 20 0 DFADMP OCC[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411308997 428775606 /nfs/dbraw/zinc/77/56/06/428775606.db2.gz JAOQDGGPVCSDOL-LJQANCHMSA-N 2 1 302.462 2.877 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374889818 428776461 /nfs/dbraw/zinc/77/64/61/428776461.db2.gz CVTWOGCOWPPYDC-RCCFBDPRSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374889818 428776463 /nfs/dbraw/zinc/77/64/63/428776463.db2.gz CVTWOGCOWPPYDC-RCCFBDPRSA-N 2 1 306.425 2.818 20 0 DFADMP CCC[C@@]1(COC)CCC[N@@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348415258 428738914 /nfs/dbraw/zinc/73/89/14/428738914.db2.gz XZNCCZCBNBQPJR-INIZCTEOSA-N 2 1 311.495 2.986 20 0 DFADMP CCC[C@@]1(COC)CCC[N@H+]1Cc1ncc(C[NH+](C)C)s1 ZINC000348415258 428738920 /nfs/dbraw/zinc/73/89/20/428738920.db2.gz XZNCCZCBNBQPJR-INIZCTEOSA-N 2 1 311.495 2.986 20 0 DFADMP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353846282 428745422 /nfs/dbraw/zinc/74/54/22/428745422.db2.gz ABIMMCQKHKTMJJ-IPELMVKDSA-N 2 1 302.462 2.505 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)CC(C)C ZINC000353847288 428746915 /nfs/dbraw/zinc/74/69/15/428746915.db2.gz SZZFNUPSNBNJHF-DLBZAZTESA-N 2 1 311.514 2.734 20 0 DFADMP CCCCOC(=O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374774550 428749921 /nfs/dbraw/zinc/74/99/21/428749921.db2.gz AYZXBBATNNUTRF-UHFFFAOYSA-N 2 1 319.449 2.573 20 0 DFADMP CC[C@@H]1C[NH+](CCC(C)CC[N@H+]2CCO[C@H](CC)C2)CCO1 ZINC000411162158 428750644 /nfs/dbraw/zinc/75/06/44/428750644.db2.gz GKKWYWYECUNNTF-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411169964 428752182 /nfs/dbraw/zinc/75/21/82/428752182.db2.gz FZLDIQMHVTWYTN-INIZCTEOSA-N 2 1 318.461 2.913 20 0 DFADMP C[C@@H](CC[NH+](C)[C@@H]1CCCOC1)CC[N@@H+](C)[C@H]1CCCOC1 ZINC000411721209 428848304 /nfs/dbraw/zinc/84/83/04/428848304.db2.gz ROPNBVFIORANKI-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](CC[NH+](C)[C@H]1CCCOC1)CC[N@H+](C)[C@@H]1CCCOC1 ZINC000411721209 428848310 /nfs/dbraw/zinc/84/83/10/428848310.db2.gz ROPNBVFIORANKI-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H](CC[NH+](C)[C@H]1CCCOC1)CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000411721209 428848316 /nfs/dbraw/zinc/84/83/16/428848316.db2.gz ROPNBVFIORANKI-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cnn(C(C)(C)C)c2)C1 ZINC000354078475 428850264 /nfs/dbraw/zinc/85/02/64/428850264.db2.gz SFPNAMJXGXCPBX-KRWDZBQOSA-N 2 1 322.497 2.571 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2cccc3c2OCO3)C1 ZINC000354078755 428850596 /nfs/dbraw/zinc/85/05/96/428850596.db2.gz XZMKCVYPBJTLAA-HNNXBMFYSA-N 2 1 302.418 2.579 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374966709 428795032 /nfs/dbraw/zinc/79/50/32/428795032.db2.gz XLGXKYGJXFGLFU-FCGDIQPGSA-N 2 1 307.526 2.771 20 0 DFADMP CC(C)[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000375039782 428798214 /nfs/dbraw/zinc/79/82/14/428798214.db2.gz NNAKJNGJFCRENK-ROUUACIJSA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000359067286 428802771 /nfs/dbraw/zinc/80/27/71/428802771.db2.gz VWXKEDKWJWRWRT-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000375114471 428805127 /nfs/dbraw/zinc/80/51/27/428805127.db2.gz MIWMFRDSXMJMSC-KRWDZBQOSA-N 2 1 313.401 2.812 20 0 DFADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@@H]12 ZINC000411499587 428806104 /nfs/dbraw/zinc/80/61/04/428806104.db2.gz DERRIAIANLXDQK-XUVXKRRUSA-N 2 1 314.473 2.875 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)N1CCCCC1 ZINC000411513607 428807675 /nfs/dbraw/zinc/80/76/75/428807675.db2.gz DUDZSJKDCBUMEC-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)N1CCCCC1 ZINC000411513607 428807678 /nfs/dbraw/zinc/80/76/78/428807678.db2.gz DUDZSJKDCBUMEC-ULQDDVLXSA-N 2 1 321.509 2.630 20 0 DFADMP CCCCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520631 428811823 /nfs/dbraw/zinc/81/18/23/428811823.db2.gz WJUAIHRATUICRI-HZPDHXFCSA-N 2 1 309.498 2.535 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)cn2)[C@H](C)C1 ZINC000411551620 428815356 /nfs/dbraw/zinc/81/53/56/428815356.db2.gz NRJNQQQJYMNVAU-VQIMIIECSA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)cn2)[C@H](C)C1 ZINC000411551620 428815362 /nfs/dbraw/zinc/81/53/62/428815362.db2.gz NRJNQQQJYMNVAU-VQIMIIECSA-N 2 1 319.493 2.871 20 0 DFADMP Cc1cc(C)cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000362940342 428817317 /nfs/dbraw/zinc/81/73/17/428817317.db2.gz DHIZIIAGOBKURY-LJQANCHMSA-N 2 1 301.478 2.515 20 0 DFADMP CC[NH+](CC)CC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000354079992 428852945 /nfs/dbraw/zinc/85/29/45/428852945.db2.gz OAAFXMLJPSKLNN-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP OC[C@@H]1C[C@@H](F)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411603835 428821551 /nfs/dbraw/zinc/82/15/51/428821551.db2.gz FKXKJAUVEZXKLA-MSOLQXFVSA-N 2 1 306.425 2.577 20 0 DFADMP OC[C@@H]1C[C@@H](F)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411603835 428821559 /nfs/dbraw/zinc/82/15/59/428821559.db2.gz FKXKJAUVEZXKLA-MSOLQXFVSA-N 2 1 306.425 2.577 20 0 DFADMP C[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)CC1(CO)CC1 ZINC000411619917 428825879 /nfs/dbraw/zinc/82/58/79/428825879.db2.gz WHOXRJDZYRXTLT-UHFFFAOYSA-N 2 1 302.462 2.877 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)CCOCc2ccccc2)CC1 ZINC000348752200 428826781 /nfs/dbraw/zinc/82/67/81/428826781.db2.gz GCTIMMSXSOUYLD-QGZVFWFLSA-N 2 1 320.477 2.682 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000348832449 428853220 /nfs/dbraw/zinc/85/32/20/428853220.db2.gz LCSBBURWKONAPH-WBMJQRKESA-N 2 1 323.868 2.542 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000348832449 428853227 /nfs/dbraw/zinc/85/32/27/428853227.db2.gz LCSBBURWKONAPH-WBMJQRKESA-N 2 1 323.868 2.542 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCN(c3nccs3)CC2)CCCCC1 ZINC000359142343 428836695 /nfs/dbraw/zinc/83/66/95/428836695.db2.gz QIUDOBAOFCATPT-UHFFFAOYSA-N 2 1 322.522 2.966 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411675633 428838035 /nfs/dbraw/zinc/83/80/35/428838035.db2.gz PELYZNJWPVKORP-SFHVURJKSA-N 2 1 302.462 2.875 20 0 DFADMP C[N@H+]1CC[C@@H]2CN(Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000411783217 428858260 /nfs/dbraw/zinc/85/82/60/428858260.db2.gz FNOOVYXLNHGCDX-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CN1CC[C@@H]2C[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000411783217 428858266 /nfs/dbraw/zinc/85/82/66/428858266.db2.gz FNOOVYXLNHGCDX-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CN1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]21 ZINC000411783217 428858271 /nfs/dbraw/zinc/85/82/71/428858271.db2.gz FNOOVYXLNHGCDX-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP COC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCCC1 ZINC000375345894 428861492 /nfs/dbraw/zinc/86/14/92/428861492.db2.gz SQVLWSGBZFZHAF-SFHVURJKSA-N 2 1 324.509 2.816 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+](C)CCC2CC[NH2+]CC2)c1C ZINC000359217612 428869495 /nfs/dbraw/zinc/86/94/95/428869495.db2.gz SLJMHCUWRQWMNS-UHFFFAOYSA-N 2 1 303.450 2.563 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC000354134038 428880098 /nfs/dbraw/zinc/88/00/98/428880098.db2.gz NJLMHBMDSWEZNI-HLLBOEOZSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000354134038 428880106 /nfs/dbraw/zinc/88/01/06/428880106.db2.gz NJLMHBMDSWEZNI-HLLBOEOZSA-N 2 1 310.482 2.818 20 0 DFADMP COc1cc(C)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)n1 ZINC000354166320 428895118 /nfs/dbraw/zinc/89/51/18/428895118.db2.gz KUARYDYOUPZDBY-GOSISDBHSA-N 2 1 303.450 2.625 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)n1 ZINC000354166320 428895122 /nfs/dbraw/zinc/89/51/22/428895122.db2.gz KUARYDYOUPZDBY-GOSISDBHSA-N 2 1 303.450 2.625 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)n1 ZINC000354166320 428895126 /nfs/dbraw/zinc/89/51/26/428895126.db2.gz KUARYDYOUPZDBY-GOSISDBHSA-N 2 1 303.450 2.625 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)n1 ZINC000354166320 428895130 /nfs/dbraw/zinc/89/51/30/428895130.db2.gz KUARYDYOUPZDBY-GOSISDBHSA-N 2 1 303.450 2.625 20 0 DFADMP CCOC(=O)CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375471144 428895768 /nfs/dbraw/zinc/89/57/68/428895768.db2.gz PVQHAHJPILENAO-SJLPKXTDSA-N 2 1 304.434 2.612 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCC[C@@H]2O)[C@H]1c1ccccc1 ZINC000375482208 428897166 /nfs/dbraw/zinc/89/71/66/428897166.db2.gz MXSLVEJEOQJMOF-AKHDSKFASA-N 2 1 302.462 2.963 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000375487532 428897555 /nfs/dbraw/zinc/89/75/55/428897555.db2.gz QVPSVNZOGWDEJQ-KSZLIROESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@]1(C)O ZINC000375487532 428897561 /nfs/dbraw/zinc/89/75/61/428897561.db2.gz QVPSVNZOGWDEJQ-KSZLIROESA-N 2 1 305.466 2.987 20 0 DFADMP C[N@@H+](CCN1CCC[C@H]([NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000363299810 428901721 /nfs/dbraw/zinc/90/17/21/428901721.db2.gz UCZUJVNCAKWHII-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984829 428903120 /nfs/dbraw/zinc/90/31/20/428903120.db2.gz NGCDORXRBQWCIQ-OALUTQOASA-N 2 1 314.473 2.711 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984829 428903122 /nfs/dbraw/zinc/90/31/22/428903122.db2.gz NGCDORXRBQWCIQ-OALUTQOASA-N 2 1 314.473 2.711 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984829 428903126 /nfs/dbraw/zinc/90/31/26/428903126.db2.gz NGCDORXRBQWCIQ-OALUTQOASA-N 2 1 314.473 2.711 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984829 428903128 /nfs/dbraw/zinc/90/31/28/428903128.db2.gz NGCDORXRBQWCIQ-OALUTQOASA-N 2 1 314.473 2.711 20 0 DFADMP O=C(Nc1ccccc1)c1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359315137 428915904 /nfs/dbraw/zinc/91/59/04/428915904.db2.gz VRQBAEDHVOOKLW-HDICACEKSA-N 2 1 321.424 2.590 20 0 DFADMP O=C(Nc1ccccc1)c1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359315137 428915908 /nfs/dbraw/zinc/91/59/08/428915908.db2.gz VRQBAEDHVOOKLW-HDICACEKSA-N 2 1 321.424 2.590 20 0 DFADMP CCc1nccc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000363459314 428919947 /nfs/dbraw/zinc/91/99/47/428919947.db2.gz KBTOOTWNNBZGKK-HOTGVXAUSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000363459314 428919952 /nfs/dbraw/zinc/91/99/52/428919952.db2.gz KBTOOTWNNBZGKK-HOTGVXAUSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000363459314 428919955 /nfs/dbraw/zinc/91/99/55/428919955.db2.gz KBTOOTWNNBZGKK-HOTGVXAUSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)n1 ZINC000363459314 428919962 /nfs/dbraw/zinc/91/99/62/428919962.db2.gz KBTOOTWNNBZGKK-HOTGVXAUSA-N 2 1 302.466 2.703 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000349117043 428924257 /nfs/dbraw/zinc/92/42/57/428924257.db2.gz JDLCVQAQLZPDEG-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000349117043 428924264 /nfs/dbraw/zinc/92/42/64/428924264.db2.gz JDLCVQAQLZPDEG-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000349117043 428924266 /nfs/dbraw/zinc/92/42/66/428924266.db2.gz JDLCVQAQLZPDEG-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)CN(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000354225372 428925120 /nfs/dbraw/zinc/92/51/20/428925120.db2.gz RLIRFJGQLHTZFO-BRWVUGGUSA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354226035 428927268 /nfs/dbraw/zinc/92/72/68/428927268.db2.gz USAULQZTHGLQFH-PBHICJAKSA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354226035 428927274 /nfs/dbraw/zinc/92/72/74/428927274.db2.gz USAULQZTHGLQFH-PBHICJAKSA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354226035 428927280 /nfs/dbraw/zinc/92/72/80/428927280.db2.gz USAULQZTHGLQFH-PBHICJAKSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)C[C@H]1C ZINC000354226035 428927283 /nfs/dbraw/zinc/92/72/83/428927283.db2.gz USAULQZTHGLQFH-PBHICJAKSA-N 2 1 304.434 2.778 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000349147416 428929173 /nfs/dbraw/zinc/92/91/73/428929173.db2.gz XTLIIYIZCLGORM-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@H+](C)CC)c1 ZINC000349147416 428929181 /nfs/dbraw/zinc/92/91/81/428929181.db2.gz XTLIIYIZCLGORM-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000349147416 428929188 /nfs/dbraw/zinc/92/91/88/428929188.db2.gz XTLIIYIZCLGORM-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412068861 428940137 /nfs/dbraw/zinc/94/01/37/428940137.db2.gz GGGAPUNVUHHACC-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412068861 428940140 /nfs/dbraw/zinc/94/01/40/428940140.db2.gz GGGAPUNVUHHACC-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412068861 428940145 /nfs/dbraw/zinc/94/01/45/428940145.db2.gz GGGAPUNVUHHACC-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000363546380 428941035 /nfs/dbraw/zinc/94/10/35/428941035.db2.gz RAAIZTXJOLXOHD-UHFFFAOYSA-N 3 1 304.482 2.968 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC000345586294 428948846 /nfs/dbraw/zinc/94/88/46/428948846.db2.gz NZQJRLXMPKFLLC-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)ccc1Cl ZINC000349294896 428956676 /nfs/dbraw/zinc/95/66/76/428956676.db2.gz IVPVMVHRSOGVCY-UHFFFAOYSA-N 2 1 309.885 2.718 20 0 DFADMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000349296279 428957512 /nfs/dbraw/zinc/95/75/12/428957512.db2.gz LKXUQQOKAMDAKB-GOSISDBHSA-N 2 1 315.505 2.904 20 0 DFADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CCC(F)(F)F)CCCN2C)cn1 ZINC000375780256 428969444 /nfs/dbraw/zinc/96/94/44/428969444.db2.gz OBGOUDAAIGUJCP-GXTWGEPZSA-N 2 1 318.387 2.687 20 0 DFADMP CN(CCC(F)(F)F)C[C@@H]1CCC[N@H+](C)[C@H]1c1cnn(C)c1 ZINC000375780256 428969450 /nfs/dbraw/zinc/96/94/50/428969450.db2.gz OBGOUDAAIGUJCP-GXTWGEPZSA-N 2 1 318.387 2.687 20 0 DFADMP CN(CCC(F)(F)F)C[C@@H]1CCC[N@@H+](C)[C@H]1c1cnn(C)c1 ZINC000375780256 428969459 /nfs/dbraw/zinc/96/94/59/428969459.db2.gz OBGOUDAAIGUJCP-GXTWGEPZSA-N 2 1 318.387 2.687 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000423541631 428969761 /nfs/dbraw/zinc/96/97/61/428969761.db2.gz FRONWDPSSIJYCW-LTFPLMDUSA-N 3 1 313.489 2.800 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@@H]1c1ccccc1 ZINC000423541631 428969769 /nfs/dbraw/zinc/96/97/69/428969769.db2.gz FRONWDPSSIJYCW-LTFPLMDUSA-N 3 1 313.489 2.800 20 0 DFADMP CCN(C)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000349354183 428970260 /nfs/dbraw/zinc/97/02/60/428970260.db2.gz SXGXROKPLKEJRN-UHFFFAOYSA-N 2 1 301.438 2.565 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cn1 ZINC000349354183 428970265 /nfs/dbraw/zinc/97/02/65/428970265.db2.gz SXGXROKPLKEJRN-UHFFFAOYSA-N 2 1 301.438 2.565 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]CCC(C)(C)C(=O)OC)c1 ZINC000354328526 428970800 /nfs/dbraw/zinc/97/08/00/428970800.db2.gz JCOHFZBGMHNCMH-UHFFFAOYSA-N 2 1 306.450 2.817 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3)C2)CC1 ZINC000375907436 429015388 /nfs/dbraw/zinc/01/53/88/429015388.db2.gz SCOPGMGQAPYTHL-PKOBYXMFSA-N 2 1 301.478 2.848 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c(-c2ccccc2)n1 ZINC000375945837 429023886 /nfs/dbraw/zinc/02/38/86/429023886.db2.gz GXQRTLFRDIFFAY-OAHLLOKOSA-N 2 1 321.428 2.636 20 0 DFADMP C[N@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375987214 429034962 /nfs/dbraw/zinc/03/49/62/429034962.db2.gz TXROPZRINHVPJB-AWEZNQCLSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375987214 429034965 /nfs/dbraw/zinc/03/49/65/429034965.db2.gz TXROPZRINHVPJB-AWEZNQCLSA-N 2 1 305.372 2.898 20 0 DFADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000349384730 428979520 /nfs/dbraw/zinc/97/95/20/428979520.db2.gz XCWKDQJWVOKFLY-NWANDNLSSA-N 2 1 324.490 2.785 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000354409431 428981531 /nfs/dbraw/zinc/98/15/31/428981531.db2.gz SLFLIVVDYIUAQE-ZWKOTPCHSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423644056 428987682 /nfs/dbraw/zinc/98/76/82/428987682.db2.gz ZEOQSGBDSDADNQ-QZTJIDSGSA-N 2 1 317.477 2.627 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CC(c2ccccc2)C1 ZINC000433085625 428992306 /nfs/dbraw/zinc/99/23/06/428992306.db2.gz WZCGYEUPSRNUCK-FUFFSDJGSA-N 2 1 314.473 2.759 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000363791588 428994342 /nfs/dbraw/zinc/99/43/42/428994342.db2.gz TXPNALLYMJSDBD-QILLFSRXSA-N 3 1 316.493 2.677 20 0 DFADMP C[N@H+]1CC[C@H](NCc2nnc(C(C)(C)C)s2)[C@H]2CCC[C@H]21 ZINC000375841108 428994588 /nfs/dbraw/zinc/99/45/88/428994588.db2.gz RBFIKHWQSBHRKJ-FRRDWIJNSA-N 2 1 308.495 2.798 20 0 DFADMP CC[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000423696647 428997010 /nfs/dbraw/zinc/99/70/10/428997010.db2.gz IHQCRGTVSQPSRY-ZWKOTPCHSA-N 2 1 317.477 2.545 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)CCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423695038 428998189 /nfs/dbraw/zinc/99/81/89/428998189.db2.gz LBTSAWLCWOMHGN-RDJZCZTQSA-N 2 1 305.466 2.531 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000423720557 429005448 /nfs/dbraw/zinc/00/54/48/429005448.db2.gz ANSAIECZPMANHX-MUDKKEKZSA-N 2 1 321.509 2.758 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(F)c3)C2)CC1 ZINC000375888012 429007817 /nfs/dbraw/zinc/00/78/17/429007817.db2.gz FJILGLKWHYLUJR-QFBILLFUSA-N 2 1 319.468 2.987 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@@H]21 ZINC000375888802 429008757 /nfs/dbraw/zinc/00/87/57/429008757.db2.gz MWDTWYXUTHOONR-UFYCRDLUSA-N 2 1 324.472 2.877 20 0 DFADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375897129 429010420 /nfs/dbraw/zinc/01/04/20/429010420.db2.gz DJEKRPFJFNDABN-NCXUSEDFSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000423763487 429011524 /nfs/dbraw/zinc/01/15/24/429011524.db2.gz RPDLTSDYLGMRCP-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1OC ZINC000423462962 429090373 /nfs/dbraw/zinc/09/03/73/429090373.db2.gz AEWHKARAIFCPGZ-WCQYABFASA-N 2 1 314.376 2.599 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)cc(N)c2)[C@@H](C)C1 ZINC000423473376 429092801 /nfs/dbraw/zinc/09/28/01/429092801.db2.gz HCDCIPPECLXVBS-QFBILLFUSA-N 2 1 319.493 2.804 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1cccc(Cl)c1 ZINC000423480703 429094474 /nfs/dbraw/zinc/09/44/74/429094474.db2.gz PMYTVGIAPSOXGK-TZMCWYRMSA-N 2 1 318.795 2.862 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423475727 429095265 /nfs/dbraw/zinc/09/52/65/429095265.db2.gz RYUHVCDSQBZRQE-UKRRQHHQSA-N 2 1 306.454 2.948 20 0 DFADMP C[C@H]1CCC(C)(C)[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000452005806 429036979 /nfs/dbraw/zinc/03/69/79/429036979.db2.gz KMCCIQXJGXYZOH-DOTOQJQBSA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423283335 429055820 /nfs/dbraw/zinc/05/58/20/429055820.db2.gz XATNFWNPTLTRIG-WMLDXEAASA-N 2 1 316.449 2.633 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423294423 429058205 /nfs/dbraw/zinc/05/82/05/429058205.db2.gz BVLJMEPSRLIBJH-KBXCAEBGSA-N 2 1 305.466 2.533 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)[NH3+])c1ccc(I)cc1 ZINC000423288130 429058471 /nfs/dbraw/zinc/05/84/71/429058471.db2.gz QQPVLQKDRCTIDR-VIFPVBQESA-N 2 1 318.202 2.679 20 0 DFADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423304527 429059791 /nfs/dbraw/zinc/05/97/91/429059791.db2.gz OKZPVOFIHHCHMO-CZUORRHYSA-N 2 1 322.424 2.644 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423310607 429060738 /nfs/dbraw/zinc/06/07/38/429060738.db2.gz SBVHDTIWHZXPRN-QXCFHYIPSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423310607 429060742 /nfs/dbraw/zinc/06/07/42/429060742.db2.gz SBVHDTIWHZXPRN-QXCFHYIPSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423310607 429060745 /nfs/dbraw/zinc/06/07/45/429060745.db2.gz SBVHDTIWHZXPRN-QXCFHYIPSA-N 3 1 301.478 2.614 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+]C3CC[NH+](CC4CC4)CC3)cc2O1 ZINC000424135683 429097029 /nfs/dbraw/zinc/09/70/29/429097029.db2.gz PGDCSAPGEOTCLB-UHFFFAOYSA-N 2 1 324.371 2.972 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1 ZINC000423312524 429062760 /nfs/dbraw/zinc/06/27/60/429062760.db2.gz DGXROVQCWLCLEM-WBMJQRKESA-N 2 1 304.438 2.604 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2([NH3+])CCC2)CC1 ZINC000423316498 429063188 /nfs/dbraw/zinc/06/31/88/429063188.db2.gz BSOXOAABKNBIDH-UHFFFAOYSA-N 3 1 301.478 2.901 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N)CCC2)CC1 ZINC000423316498 429063193 /nfs/dbraw/zinc/06/31/93/429063193.db2.gz BSOXOAABKNBIDH-UHFFFAOYSA-N 2 1 301.478 2.901 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(N)CCC2)CC1 ZINC000423316498 429063196 /nfs/dbraw/zinc/06/31/96/429063196.db2.gz BSOXOAABKNBIDH-UHFFFAOYSA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C1CC1 ZINC000423315599 429063758 /nfs/dbraw/zinc/06/37/58/429063758.db2.gz JDPAHFLMIHQEAV-MTQWCTHYSA-N 2 1 313.489 2.757 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423327498 429064482 /nfs/dbraw/zinc/06/44/82/429064482.db2.gz NFYXWJPOBKKSJG-IPMKNSEASA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H]1CCC[N@@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423328276 429065202 /nfs/dbraw/zinc/06/52/02/429065202.db2.gz LXWVVJSWZSQQQB-RDJZCZTQSA-N 2 1 317.477 2.561 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423326608 429065346 /nfs/dbraw/zinc/06/53/46/429065346.db2.gz CPXBDYIVODHUHR-SCLBCKFNSA-N 2 1 319.449 2.694 20 0 DFADMP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423325144 429065739 /nfs/dbraw/zinc/06/57/39/429065739.db2.gz LADCOHVREWLKKN-GOSISDBHSA-N 2 1 311.429 2.845 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1 ZINC000423325505 429065876 /nfs/dbraw/zinc/06/58/76/429065876.db2.gz IVCUVIVIZPUKQS-MAUKXSAKSA-N 2 1 317.477 2.531 20 0 DFADMP CC[N@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424132929 429097079 /nfs/dbraw/zinc/09/70/79/429097079.db2.gz LHOSIQXGDQRPEM-SJORKVTESA-N 2 1 309.498 2.522 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423335333 429066865 /nfs/dbraw/zinc/06/68/65/429066865.db2.gz RQPHWFOSTOSWHQ-QZTJIDSGSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC2(C)CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423335333 429066867 /nfs/dbraw/zinc/06/68/67/429066867.db2.gz RQPHWFOSTOSWHQ-QZTJIDSGSA-N 3 1 301.478 2.801 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C[NH3+])C(C)(C)C)cc1)C1CC1 ZINC000423966565 429067146 /nfs/dbraw/zinc/06/71/46/429067146.db2.gz ZNMFQTJYTYZFAY-QGZVFWFLSA-N 2 1 317.477 2.774 20 0 DFADMP C[C@H](CNC(=O)[C@H]([NH3+])CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000423332771 429067383 /nfs/dbraw/zinc/06/73/83/429067383.db2.gz PKELQWFWOLQJEN-BFYDXBDKSA-N 2 1 309.498 2.663 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[N@H+]2CCCC[C@@H]2C)cc1 ZINC000423335069 429067967 /nfs/dbraw/zinc/06/79/67/429067967.db2.gz TXRUFKSOQUDGII-KKUMJFAQSA-N 2 1 303.450 2.699 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cc(Br)ccc1F ZINC000423346137 429069207 /nfs/dbraw/zinc/06/92/07/429069207.db2.gz PSLSQYZSARCOOS-UWVGGRQHSA-N 2 1 301.203 2.848 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]C2)c(Br)c1 ZINC000423350548 429070725 /nfs/dbraw/zinc/07/07/25/429070725.db2.gz XTRBVXOHNOVBOH-MNOVXSKESA-N 2 1 313.239 2.718 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](Nc2ncnc(N)c2Cl)C1 ZINC000434098988 429071634 /nfs/dbraw/zinc/07/16/34/429071634.db2.gz GLAOQYTXTISOGZ-AAEUAGOBSA-N 2 1 317.824 2.960 20 0 DFADMP C[C@@H](c1ccccc1)N1CC[C@H](Nc2ncnc(N)c2Cl)C1 ZINC000434098988 429071638 /nfs/dbraw/zinc/07/16/38/429071638.db2.gz GLAOQYTXTISOGZ-AAEUAGOBSA-N 2 1 317.824 2.960 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423364237 429074233 /nfs/dbraw/zinc/07/42/33/429074233.db2.gz AXLNUHTWPPSQEM-IAGOWNOFSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CCOCC1 ZINC000423365606 429074285 /nfs/dbraw/zinc/07/42/85/429074285.db2.gz KOKVRYNKCQSQCQ-XLWVJDPXSA-N 2 1 324.415 2.815 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423364235 429074505 /nfs/dbraw/zinc/07/45/05/429074505.db2.gz AXLNUHTWPPSQEM-DLBZAZTESA-N 2 1 317.477 2.703 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423368575 429074681 /nfs/dbraw/zinc/07/46/81/429074681.db2.gz SBFAVDBMTBZXLR-WTGUMLROSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423368575 429074685 /nfs/dbraw/zinc/07/46/85/429074685.db2.gz SBFAVDBMTBZXLR-WTGUMLROSA-N 3 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423368575 429074696 /nfs/dbraw/zinc/07/46/96/429074696.db2.gz SBFAVDBMTBZXLR-WTGUMLROSA-N 3 1 313.489 2.914 20 0 DFADMP CC[NH2+][C@H](C)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423382924 429077448 /nfs/dbraw/zinc/07/74/48/429077448.db2.gz IYLIJLKZIHWAQG-YPMHNXCESA-N 2 1 311.267 2.894 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000423378030 429077661 /nfs/dbraw/zinc/07/76/61/429077661.db2.gz ZAMPRCOWFBFOSL-XFBWCDHKSA-N 2 1 323.278 2.894 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)cc1OC ZINC000423384026 429079943 /nfs/dbraw/zinc/07/99/43/429079943.db2.gz PXGKJQVEGNMKFN-ORIJERBGSA-N 2 1 306.450 2.926 20 0 DFADMP C[NH2+][C@H](C)CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423404941 429082142 /nfs/dbraw/zinc/08/21/42/429082142.db2.gz YJYWYFROLCZJFW-RSPOEFSDSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000423403728 429082272 /nfs/dbraw/zinc/08/22/72/429082272.db2.gz XEIYJDQOVSKMDG-LSJOCFKGSA-N 2 1 316.218 2.904 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000423409949 429083663 /nfs/dbraw/zinc/08/36/63/429083663.db2.gz RCJAXISKTFOGNM-OAGGEKHMSA-N 2 1 311.514 2.623 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([C@H](C)[NH3+])cc2)C[C@@H]1C ZINC000423422330 429084931 /nfs/dbraw/zinc/08/49/31/429084931.db2.gz KXRPTQPHGXKIIT-ZQIUZPCESA-N 2 1 303.450 2.651 20 0 DFADMP c1ccc2c(c1)CCN[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423421136 429085258 /nfs/dbraw/zinc/08/52/58/429085258.db2.gz JVBYOTVKHHWWJE-IYWMVGAKSA-N 2 1 313.489 2.774 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000423424654 429086058 /nfs/dbraw/zinc/08/60/58/429086058.db2.gz NGURVHAGXQIFHM-HYVNUMGLSA-N 2 1 317.477 2.654 20 0 DFADMP Brc1ccc([C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)s1 ZINC000423429364 429087711 /nfs/dbraw/zinc/08/77/11/429087711.db2.gz KGJIYJCEVZAAHX-GAQJKIJGSA-N 2 1 313.264 2.769 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2(C)C[NH2+]C2)c1 ZINC000423441279 429088343 /nfs/dbraw/zinc/08/83/43/429088343.db2.gz YBEIXXBCHXFWQC-UHFFFAOYSA-N 2 1 317.477 2.534 20 0 DFADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432392 429143147 /nfs/dbraw/zinc/14/31/47/429143147.db2.gz MYKHVPXKLQCWAM-RDJZCZTQSA-N 3 1 319.518 2.692 20 0 DFADMP c1cc(CN(C[C@H]2CCC[NH2+]C2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432392 429143151 /nfs/dbraw/zinc/14/31/51/429143151.db2.gz MYKHVPXKLQCWAM-RDJZCZTQSA-N 2 1 319.518 2.692 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C/C=C\c2ccncc2)[C@@H](C)C1 ZINC000487265816 429145611 /nfs/dbraw/zinc/14/56/11/429145611.db2.gz BLUHOANRXORCKW-GNRZLHGISA-N 2 1 317.477 2.821 20 0 DFADMP Cc1ccc(CCC[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000376608827 429148151 /nfs/dbraw/zinc/14/81/51/429148151.db2.gz GWIYXCALOXINSL-FQEVSTJZSA-N 2 1 315.505 2.639 20 0 DFADMP CCOc1ccc(OCC[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)cc1 ZINC000435617903 429152567 /nfs/dbraw/zinc/15/25/67/429152567.db2.gz XIMOXXZVHJBQGV-MRXNPFEDSA-N 2 1 306.450 2.928 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435610483 429152600 /nfs/dbraw/zinc/15/26/00/429152600.db2.gz JYJDWYIWMZCKCW-GOSISDBHSA-N 2 1 317.477 2.646 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435610483 429152606 /nfs/dbraw/zinc/15/26/06/429152606.db2.gz JYJDWYIWMZCKCW-GOSISDBHSA-N 2 1 317.477 2.646 20 0 DFADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424148321 429100057 /nfs/dbraw/zinc/10/00/57/429100057.db2.gz UGEDLTWALKWSHA-KBAYOESNSA-N 2 1 321.509 2.759 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)CC2 ZINC000423503856 429100390 /nfs/dbraw/zinc/10/03/90/429100390.db2.gz FHWYZMXEUTYKPN-HNJNHCNJSA-N 2 1 304.434 2.608 20 0 DFADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424148325 429101328 /nfs/dbraw/zinc/10/13/28/429101328.db2.gz UGEDLTWALKWSHA-NXHRZFHOSA-N 2 1 321.509 2.759 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1NC(C)=O ZINC000423505051 429101427 /nfs/dbraw/zinc/10/14/27/429101427.db2.gz HBOXMOOXUIRTNJ-PXAZEXFGSA-N 2 1 319.449 2.822 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423510605 429102815 /nfs/dbraw/zinc/10/28/15/429102815.db2.gz JWAAXBHJUCJILF-CJNGLKHVSA-N 2 1 315.486 2.772 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CCC(N3CC[NH2+]CC3)CC1)CC2 ZINC000423506987 429102934 /nfs/dbraw/zinc/10/29/34/429102934.db2.gz JFJZCKSLHXQYBB-TVPLGVNVSA-N 2 1 317.452 2.619 20 0 DFADMP C[C@@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508256 429103057 /nfs/dbraw/zinc/10/30/57/429103057.db2.gz KNXMTTWNYULCMN-PIKOESSRSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]([C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508256 429103064 /nfs/dbraw/zinc/10/30/64/429103064.db2.gz KNXMTTWNYULCMN-PIKOESSRSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]([C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508256 429103069 /nfs/dbraw/zinc/10/30/69/429103069.db2.gz KNXMTTWNYULCMN-PIKOESSRSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508256 429103072 /nfs/dbraw/zinc/10/30/72/429103072.db2.gz KNXMTTWNYULCMN-PIKOESSRSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]([C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423508256 429103076 /nfs/dbraw/zinc/10/30/76/429103076.db2.gz KNXMTTWNYULCMN-PIKOESSRSA-N 3 1 315.505 2.814 20 0 DFADMP [NH3+][C@H](CCC(=O)N1CC[N@H+]2CCCC[C@H]2C1)CC1CCCCC1 ZINC000424164281 429103327 /nfs/dbraw/zinc/10/33/27/429103327.db2.gz ZGZGHLHQHMYXKY-MSOLQXFVSA-N 2 1 321.509 2.761 20 0 DFADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423510302 429103693 /nfs/dbraw/zinc/10/36/93/429103693.db2.gz JMWHUCHDNGBDKN-ROUUACIJSA-N 2 1 323.912 2.790 20 0 DFADMP Fc1cccc2c1CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423511037 429104365 /nfs/dbraw/zinc/10/43/65/429104365.db2.gz NBKJDIMFIWJOOP-ZOJXTTQQSA-N 2 1 317.452 2.619 20 0 DFADMP COCc1cc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000423517384 429105268 /nfs/dbraw/zinc/10/52/68/429105268.db2.gz YHBGYAJLEYGVFG-HBUWYVDXSA-N 2 1 306.450 2.819 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)cc1F ZINC000423519833 429105723 /nfs/dbraw/zinc/10/57/23/429105723.db2.gz QPSNJJPKAHNFDH-IUDNXUCKSA-N 2 1 323.431 2.832 20 0 DFADMP Cc1cccc2c1CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519327 429106941 /nfs/dbraw/zinc/10/69/41/429106941.db2.gz PQSGXMIRXGQTHL-LBXVMSDZSA-N 2 1 313.489 2.788 20 0 DFADMP C[N@H+]1CC[C@H](NCC2([NH3+])C3CC4CC(C3)CC2C4)[C@H]2CCC[C@H]21 ZINC000423531776 429110068 /nfs/dbraw/zinc/11/00/68/429110068.db2.gz UFDLOLHKEGXRHI-VVOAZBBBSA-N 2 1 317.521 2.602 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C[NH3+])c2ccc(F)cc2)C[C@H]1C ZINC000424275351 429117430 /nfs/dbraw/zinc/11/74/30/429117430.db2.gz AUOJYSTYIKPAGT-HFTRVMKXSA-N 2 1 307.457 2.673 20 0 DFADMP COC(=O)CC1CC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000424277586 429118341 /nfs/dbraw/zinc/11/83/41/429118341.db2.gz HATDXZAHLKMOSY-JWMHWRSXSA-N 2 1 308.466 2.571 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cs1 ZINC000424292957 429120763 /nfs/dbraw/zinc/12/07/63/429120763.db2.gz OYTZEJKIGLVFTM-QWHCGFSZSA-N 2 1 309.479 2.815 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424305473 429123418 /nfs/dbraw/zinc/12/34/18/429123418.db2.gz SJWJCYHWKZEGAX-SFHVURJKSA-N 3 1 315.436 2.719 20 0 DFADMP [NH3+]CCC[N@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424305473 429123421 /nfs/dbraw/zinc/12/34/21/429123421.db2.gz SJWJCYHWKZEGAX-SFHVURJKSA-N 3 1 315.436 2.719 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1cccc(Cl)c1)CC2 ZINC000376512894 429124970 /nfs/dbraw/zinc/12/49/70/429124970.db2.gz CEXZMWSYGGYHQW-KRWDZBQOSA-N 2 1 322.880 2.804 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](C[C@@H](O)Cc1cccc(Cl)c1)CC2 ZINC000376512894 429124975 /nfs/dbraw/zinc/12/49/75/429124975.db2.gz CEXZMWSYGGYHQW-KRWDZBQOSA-N 2 1 322.880 2.804 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000376515938 429127651 /nfs/dbraw/zinc/12/76/51/429127651.db2.gz WDJNLQLUJTWFTH-IKGGRYGDSA-N 2 1 322.493 2.772 20 0 DFADMP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000424332843 429128309 /nfs/dbraw/zinc/12/83/09/429128309.db2.gz VPKNQXMLQXBMRJ-ARFHVFGLSA-N 2 1 312.498 2.920 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)cc(Br)c1 ZINC000424341364 429129407 /nfs/dbraw/zinc/12/94/07/429129407.db2.gz ZZPZSOXBKAXNSZ-CHWSQXEVSA-N 2 1 301.203 2.948 20 0 DFADMP CC(C)(CCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000376534410 429131840 /nfs/dbraw/zinc/13/18/40/429131840.db2.gz GHIVGRDIJMSUAS-UHFFFAOYSA-N 2 1 322.468 2.831 20 0 DFADMP CC[N@H+](Cc1cncc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435372461 429132781 /nfs/dbraw/zinc/13/27/81/429132781.db2.gz RJDBREWQKYCEGP-CQSZACIVSA-N 2 1 312.255 2.808 20 0 DFADMP CC[N@@H+](Cc1cncc(Br)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435372461 429132783 /nfs/dbraw/zinc/13/27/83/429132783.db2.gz RJDBREWQKYCEGP-CQSZACIVSA-N 2 1 312.255 2.808 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424384198 429134487 /nfs/dbraw/zinc/13/44/87/429134487.db2.gz UXEZVOJKQOZTNB-CQSZACIVSA-N 2 1 304.482 2.509 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(N3CCCC3)nc1)CC[NH2+]CC2 ZINC000424384224 429134584 /nfs/dbraw/zinc/13/45/84/429134584.db2.gz UZMLCTMPJAGTJV-MRXNPFEDSA-N 2 1 314.477 2.646 20 0 DFADMP CC[N@@H+](Cc1ccc(OCCOC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435388917 429136103 /nfs/dbraw/zinc/13/61/03/429136103.db2.gz IBARIECUXYHSKO-KRWDZBQOSA-N 2 1 306.450 2.676 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000435377700 429136953 /nfs/dbraw/zinc/13/69/53/429136953.db2.gz FJZGXDUCUZQVNI-QXAKKESOSA-N 2 1 323.440 2.926 20 0 DFADMP C[N@H+](Cc1ccccc1OCc1cccnc1)C1CC[NH2+]CC1 ZINC000435387832 429137269 /nfs/dbraw/zinc/13/72/69/429137269.db2.gz CJYNGNBAXMBQDB-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP C[N@@H+](Cc1ccccc1OCc1cccnc1)C1CC[NH2+]CC1 ZINC000435387832 429137277 /nfs/dbraw/zinc/13/72/77/429137277.db2.gz CJYNGNBAXMBQDB-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP COc1cc(C[N@H+](C)[C@H]2CCC[NH2+]CC2)c(SC)cc1OC ZINC000435432689 429141393 /nfs/dbraw/zinc/14/13/93/429141393.db2.gz OHVJISRRHNZPDD-AWEZNQCLSA-N 2 1 324.490 3.000 20 0 DFADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)c(SC)cc1OC ZINC000435432689 429141398 /nfs/dbraw/zinc/14/13/98/429141398.db2.gz OHVJISRRHNZPDD-AWEZNQCLSA-N 2 1 324.490 3.000 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)cnc21 ZINC000435445254 429142230 /nfs/dbraw/zinc/14/22/30/429142230.db2.gz DLUGCUFCYINZBT-MRXNPFEDSA-N 2 1 301.438 2.586 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2C2CCCCC2)C[N@H+]1C1CC1 ZINC000435749089 429163051 /nfs/dbraw/zinc/16/30/51/429163051.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C[NH+]1C1CC1 ZINC000435749089 429163054 /nfs/dbraw/zinc/16/30/54/429163054.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2C2CCCCC2)C[NH+]1C1CC1 ZINC000435749089 429163057 /nfs/dbraw/zinc/16/30/57/429163057.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749089 429163060 /nfs/dbraw/zinc/16/30/60/429163060.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749089 429163064 /nfs/dbraw/zinc/16/30/64/429163064.db2.gz RDDLEQULLCYBKM-GJYPPUQNSA-N 2 1 305.510 2.998 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)c1 ZINC000494900462 429163477 /nfs/dbraw/zinc/16/34/77/429163477.db2.gz AKFWLUVYMXAEFR-KRWDZBQOSA-N 2 1 317.477 2.674 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC[NH2+]C)[C@@H]2CCCC[C@H]12 ZINC000435873148 429168512 /nfs/dbraw/zinc/16/85/12/429168512.db2.gz BKETXGNSQBKDHM-QXDIGNSFSA-N 2 1 323.525 2.780 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n(C)n1 ZINC000435874966 429169074 /nfs/dbraw/zinc/16/90/74/429169074.db2.gz AELRYLQJRFJETF-UHFFFAOYSA-N 2 1 318.440 2.700 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC[NH2+]C)[C@H]2CCCC[C@H]12 ZINC000435873145 429169662 /nfs/dbraw/zinc/16/96/62/429169662.db2.gz BKETXGNSQBKDHM-AVEIZBFRSA-N 2 1 323.525 2.780 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000495034476 429173895 /nfs/dbraw/zinc/17/38/95/429173895.db2.gz CRWOOBAOIITFHM-CABCVRRESA-N 2 1 309.498 2.534 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000495034476 429173899 /nfs/dbraw/zinc/17/38/99/429173899.db2.gz CRWOOBAOIITFHM-CABCVRRESA-N 2 1 309.498 2.534 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495042593 429174335 /nfs/dbraw/zinc/17/43/35/429174335.db2.gz HLAJRNSXBPSKFB-ZQIUZPCESA-N 2 1 303.450 2.522 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495042593 429174341 /nfs/dbraw/zinc/17/43/41/429174341.db2.gz HLAJRNSXBPSKFB-ZQIUZPCESA-N 2 1 303.450 2.522 20 0 DFADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@@H]1C ZINC000364338280 429184843 /nfs/dbraw/zinc/18/48/43/429184843.db2.gz ADBIOWDSRNTBGX-DHSIGJKJSA-N 2 1 321.465 2.524 20 0 DFADMP CC(C)OC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000364343608 429187334 /nfs/dbraw/zinc/18/73/34/429187334.db2.gz OZRKNKABDRZJNH-FUHWJXTLSA-N 2 1 318.461 2.828 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388604 429283765 /nfs/dbraw/zinc/28/37/65/429283765.db2.gz WHNGYDTYERZABQ-WCQYABFASA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388604 429283769 /nfs/dbraw/zinc/28/37/69/429283769.db2.gz WHNGYDTYERZABQ-WCQYABFASA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388604 429283770 /nfs/dbraw/zinc/28/37/70/429283770.db2.gz WHNGYDTYERZABQ-WCQYABFASA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388604 429283773 /nfs/dbraw/zinc/28/37/73/429283773.db2.gz WHNGYDTYERZABQ-WCQYABFASA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC2)N1CCN(Cc2ncc[nH]2)CC1 ZINC000445309251 429283847 /nfs/dbraw/zinc/28/38/47/429283847.db2.gz FKQRIJMIFGVPLV-OAHLLOKOSA-N 2 1 310.445 2.777 20 0 DFADMP CCn1ccnc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000456364243 429287595 /nfs/dbraw/zinc/28/75/95/429287595.db2.gz VDQXCVGSJJVVMV-LSDHHAIUSA-N 2 1 314.433 2.601 20 0 DFADMP CCn1ccnc1[C@H](C)NC(=O)[C@@H](C)N(C)Cc1ccccc1 ZINC000456364243 429287601 /nfs/dbraw/zinc/28/76/01/429287601.db2.gz VDQXCVGSJJVVMV-LSDHHAIUSA-N 2 1 314.433 2.601 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767328 429234205 /nfs/dbraw/zinc/23/42/05/429234205.db2.gz YJTNDEOVZWVLPP-RYUDHWBXSA-N 2 1 320.824 2.602 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000442929535 429241223 /nfs/dbraw/zinc/24/12/23/429241223.db2.gz RLWLRFNBDWSKQX-ZDUSSCGKSA-N 2 1 302.397 2.777 20 0 DFADMP C[N@@H+](Cc1cc(F)c(F)cc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364668424 429245866 /nfs/dbraw/zinc/24/58/66/429245866.db2.gz ABXJWSZTIHQIMS-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP C[N@H+](Cc1cc(F)c(F)cc1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364668424 429245870 /nfs/dbraw/zinc/24/58/70/429245870.db2.gz ABXJWSZTIHQIMS-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364669384 429245960 /nfs/dbraw/zinc/24/59/60/429245960.db2.gz DEZVUFBCDICGNJ-CQSZACIVSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)cc1F ZINC000364669384 429245964 /nfs/dbraw/zinc/24/59/64/429245964.db2.gz DEZVUFBCDICGNJ-CQSZACIVSA-N 2 1 303.381 2.725 20 0 DFADMP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364671974 429246655 /nfs/dbraw/zinc/24/66/55/429246655.db2.gz LTPHWQDSOTUXBR-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364671974 429246659 /nfs/dbraw/zinc/24/66/59/429246659.db2.gz LTPHWQDSOTUXBR-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP COCC[N@@H+](C)CCCNc1c(C)c[nH+]c2c(C)cccc12 ZINC000443446981 429252219 /nfs/dbraw/zinc/25/22/19/429252219.db2.gz NTXPSIXVZKFTGR-UHFFFAOYSA-N 2 1 301.434 2.654 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1N(CC)CCC[NH+]1CCCC1 ZINC000425260169 429252685 /nfs/dbraw/zinc/25/26/85/429252685.db2.gz WPXYIYSGDYVCDN-UHFFFAOYSA-N 2 1 305.422 2.571 20 0 DFADMP COC1(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)CCOCC1 ZINC000364762744 429263577 /nfs/dbraw/zinc/26/35/77/429263577.db2.gz BXKWHDUYGNSBJI-GDBMZVCRSA-N 2 1 324.490 2.526 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000456315128 429274717 /nfs/dbraw/zinc/27/47/17/429274717.db2.gz BRTCJZGWOFZLIN-ALOPSCKCSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCCc4[nH+]ccn43)ccc21 ZINC000456328892 429277362 /nfs/dbraw/zinc/27/73/62/429277362.db2.gz RRDAJGPFMSQWEJ-SJORKVTESA-N 2 1 324.428 2.948 20 0 DFADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CC[N@@H+](C3CCCC3)C2)C1 ZINC000495842513 429278441 /nfs/dbraw/zinc/27/84/41/429278441.db2.gz WKVMLVSELMIWHZ-WLYUNCDWSA-N 2 1 323.481 2.649 20 0 DFADMP CC(C)(C)OC(=O)NC1CC([NH2+][C@@H]2CC[N@H+](C3CCCC3)C2)C1 ZINC000495842513 429278445 /nfs/dbraw/zinc/27/84/45/429278445.db2.gz WKVMLVSELMIWHZ-WLYUNCDWSA-N 2 1 323.481 2.649 20 0 DFADMP CCOCC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000365464233 429323549 /nfs/dbraw/zinc/32/35/49/429323549.db2.gz QICHCGCITCLMHY-KBXCAEBGSA-N 2 1 317.433 2.619 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@H+]2C)CC1 ZINC000449102006 429333675 /nfs/dbraw/zinc/33/36/75/429333675.db2.gz HWNZLKQOVBLRMM-YLJYHZDGSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000449102006 429333676 /nfs/dbraw/zinc/33/36/76/429333676.db2.gz HWNZLKQOVBLRMM-YLJYHZDGSA-N 2 1 315.505 2.766 20 0 DFADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000449133953 429340757 /nfs/dbraw/zinc/34/07/57/429340757.db2.gz GBYKWEDKGIUKID-IAGOWNOFSA-N 2 1 309.498 2.522 20 0 DFADMP COC(=O)[C@H](CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000425422338 429291193 /nfs/dbraw/zinc/29/11/93/429291193.db2.gz NABKZFDTNJUJIV-KBAYOESNSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000425422338 429291195 /nfs/dbraw/zinc/29/11/95/429291195.db2.gz NABKZFDTNJUJIV-KBAYOESNSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000425422338 429291199 /nfs/dbraw/zinc/29/11/99/429291199.db2.gz NABKZFDTNJUJIV-KBAYOESNSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000425422338 429291201 /nfs/dbraw/zinc/29/12/01/429291201.db2.gz NABKZFDTNJUJIV-KBAYOESNSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000425439876 429297342 /nfs/dbraw/zinc/29/73/42/429297342.db2.gz CUPZNFYNQLFRQV-GOSISDBHSA-N 2 1 318.461 2.751 20 0 DFADMP COC(=O)[C@H](CC[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000425439876 429297343 /nfs/dbraw/zinc/29/73/43/429297343.db2.gz CUPZNFYNQLFRQV-GOSISDBHSA-N 2 1 318.461 2.751 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCOCC(F)(F)F)C2)c1 ZINC000365310421 429298946 /nfs/dbraw/zinc/29/89/46/429298946.db2.gz GAPQJKWVWGBSMM-ZDUSSCGKSA-N 2 1 317.355 2.703 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)CCCO1 ZINC000365315348 429299561 /nfs/dbraw/zinc/29/95/61/429299561.db2.gz GJSIJJVDSBPDJN-YDZRNGNQSA-N 2 1 324.509 2.672 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425490623 429308345 /nfs/dbraw/zinc/30/83/45/429308345.db2.gz ZJSIFJVBDABEQF-HNNXBMFYSA-N 2 1 320.481 2.557 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1CCN(C(C)(C)C)C1=O ZINC000425490623 429308351 /nfs/dbraw/zinc/30/83/51/429308351.db2.gz ZJSIFJVBDABEQF-HNNXBMFYSA-N 2 1 320.481 2.557 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000490883087 429310375 /nfs/dbraw/zinc/31/03/75/429310375.db2.gz HFLPQOHJQRSRBP-HXUWFJFHSA-N 2 1 316.489 2.748 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000457084826 429397013 /nfs/dbraw/zinc/39/70/13/429397013.db2.gz GWFOMZCMFNLKFK-MSOLQXFVSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000457084826 429397015 /nfs/dbraw/zinc/39/70/15/429397015.db2.gz GWFOMZCMFNLKFK-MSOLQXFVSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000457084826 429397018 /nfs/dbraw/zinc/39/70/18/429397018.db2.gz GWFOMZCMFNLKFK-MSOLQXFVSA-N 2 1 321.509 2.725 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2=CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000449402329 429406690 /nfs/dbraw/zinc/40/66/90/429406690.db2.gz LEIREDLBDSCWJF-LPHOPBHVSA-N 2 1 300.446 2.976 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000449170909 429348946 /nfs/dbraw/zinc/34/89/46/429348946.db2.gz JIKSZHDESGZZLN-SUMWQHHRSA-N 2 1 316.424 2.799 20 0 DFADMP COc1cc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)ccc1C ZINC000425894861 429349577 /nfs/dbraw/zinc/34/95/77/429349577.db2.gz HAIAHNFMHZJZRI-UHFFFAOYSA-N 2 1 315.417 2.748 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)C1 ZINC000365660284 429358545 /nfs/dbraw/zinc/35/85/45/429358545.db2.gz NUIHUUIYQPEIPT-LEAZDLGRSA-N 2 1 319.537 2.937 20 0 DFADMP CCN(C)C(=O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449261123 429370705 /nfs/dbraw/zinc/37/07/05/429370705.db2.gz ZHBKSCSTJFNDOY-UHFFFAOYSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccccc1OCC(F)(F)F)C[NH+](C)C ZINC000491594389 429378155 /nfs/dbraw/zinc/37/81/55/429378155.db2.gz PPTIFOPFILMHLM-LBPRGKRZSA-N 2 1 304.356 2.915 20 0 DFADMP CSCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)CC1 ZINC000449286951 429378528 /nfs/dbraw/zinc/37/85/28/429378528.db2.gz VUEUGQIIVIHCDX-GTPINHCMSA-N 2 1 314.539 2.999 20 0 DFADMP CSCC1CCC([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CC1 ZINC000449286951 429378529 /nfs/dbraw/zinc/37/85/29/429378529.db2.gz VUEUGQIIVIHCDX-GTPINHCMSA-N 2 1 314.539 2.999 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000426296010 429380620 /nfs/dbraw/zinc/38/06/20/429380620.db2.gz PBXAPZNLIQUUDP-XYVMCAHJSA-N 2 1 317.452 2.867 20 0 DFADMP Cc1nc2ccc(C[NH2+]C3(CCO)CC[NH+](C)CC3)cc2s1 ZINC000426354804 429384599 /nfs/dbraw/zinc/38/45/99/429384599.db2.gz VZDRAUOYJKHKGU-UHFFFAOYSA-N 2 1 319.474 2.541 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426404167 429388197 /nfs/dbraw/zinc/38/81/97/429388197.db2.gz HMEWRFUHZMULLN-CALCHBBNSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449336667 429390219 /nfs/dbraw/zinc/39/02/19/429390219.db2.gz OGFGLVLOSQSHNF-BZUAXINKSA-N 2 1 309.498 2.521 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cccc2ccoc21)CC[NH+](C)C ZINC000449328629 429390451 /nfs/dbraw/zinc/39/04/51/429390451.db2.gz KCMRIFVAPRNPTI-UHFFFAOYSA-N 2 1 303.450 2.748 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@@H+]2CC=CCC2)CC1 ZINC000366251035 429440937 /nfs/dbraw/zinc/44/09/37/429440937.db2.gz UTTVZMJQRZLCJB-MJGOQNOKSA-N 2 1 305.510 2.881 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000518981295 429441225 /nfs/dbraw/zinc/44/12/25/429441225.db2.gz SUBBQBSWMXKIEO-FLXZHSAZSA-N 2 1 302.462 2.916 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000366259232 429442919 /nfs/dbraw/zinc/44/29/19/429442919.db2.gz NCZXLYZLPXPVDN-COXVUDFISA-N 2 1 319.424 2.759 20 0 DFADMP Cc1ccncc1CCCN1CCCC[C@@H]1CCS(C)(=O)=O ZINC000366531865 429470640 /nfs/dbraw/zinc/47/06/40/429470640.db2.gz AOSWOXACIOYEOH-QGZVFWFLSA-N 2 1 324.490 2.612 20 0 DFADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](C)O ZINC000449540815 429448520 /nfs/dbraw/zinc/44/85/20/429448520.db2.gz JVQXCXCFCAMZFR-IPFAQRCESA-N 2 1 302.462 2.931 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(OC)c3)C2)CC1 ZINC000449619027 429462492 /nfs/dbraw/zinc/46/24/92/429462492.db2.gz MZARWDDEICASHC-SAABIXHNSA-N 2 1 318.461 2.642 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCO[C@H](c3cccs3)C2)CC1 ZINC000449621108 429462649 /nfs/dbraw/zinc/46/26/49/429462649.db2.gz GREQWQGILHCJOI-HOTGVXAUSA-N 2 1 324.490 2.669 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@@H]([C@@H]2CCCC[N@H+]2CCCn2ccnc2)C1 ZINC000427052655 429429970 /nfs/dbraw/zinc/42/99/70/429429970.db2.gz GZTNHWQTFXVHEO-BDXSIMOUSA-N 2 1 305.466 2.925 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427131838 429432056 /nfs/dbraw/zinc/43/20/56/429432056.db2.gz WBDIJURAMCBNMP-UKRRQHHQSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000427131838 429432060 /nfs/dbraw/zinc/43/20/60/429432060.db2.gz WBDIJURAMCBNMP-UKRRQHHQSA-N 2 1 314.351 2.812 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000427104764 429432994 /nfs/dbraw/zinc/43/29/94/429432994.db2.gz QSMDZHFLHBYOSK-QUCCMNQESA-N 2 1 323.440 2.844 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)c1 ZINC000427104764 429432997 /nfs/dbraw/zinc/43/29/97/429432997.db2.gz QSMDZHFLHBYOSK-QUCCMNQESA-N 2 1 323.440 2.844 20 0 DFADMP CC(C)[C@@H](CO)[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000449506631 429438011 /nfs/dbraw/zinc/43/80/11/429438011.db2.gz CUPJSAXKSJBCRN-GDBMZVCRSA-N 2 1 313.511 2.583 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136423 429473790 /nfs/dbraw/zinc/47/37/90/429473790.db2.gz SRZQRZIHPCTMOQ-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136423 429473792 /nfs/dbraw/zinc/47/37/92/429473792.db2.gz SRZQRZIHPCTMOQ-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136423 429473796 /nfs/dbraw/zinc/47/37/96/429473796.db2.gz SRZQRZIHPCTMOQ-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136423 429473801 /nfs/dbraw/zinc/47/38/01/429473801.db2.gz SRZQRZIHPCTMOQ-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1 ZINC000449720012 429488878 /nfs/dbraw/zinc/48/88/78/429488878.db2.gz HZMBKYPNPHBQBU-WMZOPIPTSA-N 2 1 317.477 2.776 20 0 DFADMP COc1cccc(OCC[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000366866718 429530398 /nfs/dbraw/zinc/53/03/98/429530398.db2.gz RZAKJFNQSSUXLB-UHFFFAOYSA-N 2 1 318.461 2.882 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@]1(C)CCCO1 ZINC000428210928 429498769 /nfs/dbraw/zinc/49/87/69/429498769.db2.gz WIUUQONXHXDBDD-QFBILLFUSA-N 2 1 318.461 2.566 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CC2 ZINC000366744780 429505700 /nfs/dbraw/zinc/50/57/00/429505700.db2.gz KDGBMTLUSMMPEZ-MRXNPFEDSA-N 3 1 316.493 2.832 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000366750355 429507182 /nfs/dbraw/zinc/50/71/82/429507182.db2.gz KOYMTCWNXAUBOG-CQSZACIVSA-N 2 1 307.401 2.625 20 0 DFADMP Brc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000366799854 429517033 /nfs/dbraw/zinc/51/70/33/429517033.db2.gz URCPIGJVJKBIGW-ZDUSSCGKSA-N 2 1 320.234 2.998 20 0 DFADMP CC[N@@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C(C)C ZINC000449838877 429522739 /nfs/dbraw/zinc/52/27/39/429522739.db2.gz JIYAAHBAKVVPDE-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC000449838877 429522743 /nfs/dbraw/zinc/52/27/43/429522743.db2.gz JIYAAHBAKVVPDE-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP CC[NH+](CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)C ZINC000449838877 429522747 /nfs/dbraw/zinc/52/27/47/429522747.db2.gz JIYAAHBAKVVPDE-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)cc1F ZINC000521369572 429548487 /nfs/dbraw/zinc/54/84/87/429548487.db2.gz AJUQYQZGHUOLID-CABCVRRESA-N 3 1 302.397 2.679 20 0 DFADMP CCCc1csc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000521582380 429557260 /nfs/dbraw/zinc/55/72/60/429557260.db2.gz LIPUAWXZDVIORY-DOTOQJQBSA-N 2 1 323.506 2.814 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000521611652 429558444 /nfs/dbraw/zinc/55/84/44/429558444.db2.gz ROUIGEVXFVNEEK-SJORKVTESA-N 2 1 316.449 2.544 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCOCC3)[C@@H](C)C1 ZINC000367050963 429565179 /nfs/dbraw/zinc/56/51/79/429565179.db2.gz URNFIMQMWYGVFI-OKZBNKHCSA-N 2 1 324.509 2.672 20 0 DFADMP CC[NH2+]CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000521858918 429565574 /nfs/dbraw/zinc/56/55/74/429565574.db2.gz BGLAENASXAOVHQ-GFCCVEGCSA-N 2 1 307.829 2.571 20 0 DFADMP CC(C)COCC[N@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000367049746 429566519 /nfs/dbraw/zinc/56/65/19/429566519.db2.gz IRQKAIPDDKURGR-UHFFFAOYSA-N 2 1 319.493 2.693 20 0 DFADMP CC(C)COCC[N@@H+](C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000367049746 429566523 /nfs/dbraw/zinc/56/65/23/429566523.db2.gz IRQKAIPDDKURGR-UHFFFAOYSA-N 2 1 319.493 2.693 20 0 DFADMP COc1ncc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000367071441 429571249 /nfs/dbraw/zinc/57/12/49/429571249.db2.gz BMHMHLNIRBHWOJ-CMPLNLGQSA-N 2 1 306.797 2.606 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000522000816 429572901 /nfs/dbraw/zinc/57/29/01/429572901.db2.gz VHCCKBCDGFQHOO-SFHVURJKSA-N 2 1 310.445 2.670 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000522000816 429572906 /nfs/dbraw/zinc/57/29/06/429572906.db2.gz VHCCKBCDGFQHOO-SFHVURJKSA-N 2 1 310.445 2.670 20 0 DFADMP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000429034396 429574803 /nfs/dbraw/zinc/57/48/03/429574803.db2.gz IHUUOSJSRZIWIB-DNVCBOLYSA-N 2 1 315.461 2.604 20 0 DFADMP COC(=O)[C@H](CC(C)C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367132707 429583973 /nfs/dbraw/zinc/58/39/73/429583973.db2.gz FPSFXJBKCDBAEZ-RDJZCZTQSA-N 2 1 322.493 2.770 20 0 DFADMP CCOC1CC(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)C1 ZINC000367133621 429584742 /nfs/dbraw/zinc/58/47/42/429584742.db2.gz OHQJBAQMMIDQNR-UPTPFMHGSA-N 2 1 306.494 2.998 20 0 DFADMP O=C([C@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000366896639 429535373 /nfs/dbraw/zinc/53/53/73/429535373.db2.gz QCGUNAZQTXXXAV-SFHVURJKSA-N 2 1 321.509 2.587 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000366949481 429545532 /nfs/dbraw/zinc/54/55/32/429545532.db2.gz BMRXXTXYMRIJOL-UHFFFAOYSA-N 2 1 314.433 2.978 20 0 DFADMP C[C@H](O)c1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000367355903 429630411 /nfs/dbraw/zinc/63/04/11/429630411.db2.gz HVYGUEIGQSHCQI-ZDUSSCGKSA-N 2 1 309.479 2.504 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000450469805 429635915 /nfs/dbraw/zinc/63/59/15/429635915.db2.gz HSASYHPFGWDVQQ-RBUKOAKNSA-N 2 1 313.445 2.914 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000450469805 429635919 /nfs/dbraw/zinc/63/59/19/429635919.db2.gz HSASYHPFGWDVQQ-RBUKOAKNSA-N 2 1 313.445 2.914 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccnc(OC)c1 ZINC000429262022 429592431 /nfs/dbraw/zinc/59/24/31/429592431.db2.gz SHEPCGKJAMACAR-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccnc(OC)c1 ZINC000429262022 429592435 /nfs/dbraw/zinc/59/24/35/429592435.db2.gz SHEPCGKJAMACAR-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)[C@H]1OC ZINC000366727215 275962645 /nfs/dbraw/zinc/96/26/45/275962645.db2.gz CEFOEKACQVPZKX-YALNPMBYSA-N 2 1 305.466 2.875 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@H](C)O)[C@H](C)C3)c2c1 ZINC000450314176 429597379 /nfs/dbraw/zinc/59/73/79/429597379.db2.gz TYBADJJRNUJTIP-CABCVRRESA-N 2 1 313.445 2.689 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)cc1 ZINC000429405725 429606821 /nfs/dbraw/zinc/60/68/21/429606821.db2.gz LWRADGRMQDDSIA-HOTGVXAUSA-N 2 1 317.477 2.741 20 0 DFADMP C[C@@H](C(=O)N1CCC[NH+](C(C)(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000523509865 429609061 /nfs/dbraw/zinc/60/90/61/429609061.db2.gz PUMMKAPJNRHCHM-XHSDSOJGSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@@H+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000523509865 429609064 /nfs/dbraw/zinc/60/90/64/429609064.db2.gz PUMMKAPJNRHCHM-XHSDSOJGSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000523509865 429609066 /nfs/dbraw/zinc/60/90/66/429609066.db2.gz PUMMKAPJNRHCHM-XHSDSOJGSA-N 2 1 309.498 2.581 20 0 DFADMP OC[C@@H](CC(F)F)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000429474495 429610935 /nfs/dbraw/zinc/61/09/35/429610935.db2.gz YRQYULMNBZSUDN-IFFAKLHKSA-N 2 1 324.415 2.788 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000367275285 429611744 /nfs/dbraw/zinc/61/17/44/429611744.db2.gz SYWSVOBBMOMGOM-FUHWJXTLSA-N 2 1 310.482 2.868 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCCO[C@@H]2CCCCO2)CC1 ZINC000367275285 429611747 /nfs/dbraw/zinc/61/17/47/429611747.db2.gz SYWSVOBBMOMGOM-FUHWJXTLSA-N 2 1 310.482 2.868 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3C[C@@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000450387523 429613670 /nfs/dbraw/zinc/61/36/70/429613670.db2.gz JJEKZFPCSPXCTN-OALUTQOASA-N 2 1 311.429 2.707 20 0 DFADMP C(CO[C@@H]1CCCCO1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000367301162 429614324 /nfs/dbraw/zinc/61/43/24/429614324.db2.gz XWJRBVXHXDHIIN-GOSISDBHSA-N 2 1 310.482 2.916 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000430135837 429655965 /nfs/dbraw/zinc/65/59/65/429655965.db2.gz RLCMUVWQJMZRIH-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1OC ZINC000430135837 429655970 /nfs/dbraw/zinc/65/59/70/429655970.db2.gz RLCMUVWQJMZRIH-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000430135837 429655972 /nfs/dbraw/zinc/65/59/72/429655972.db2.gz RLCMUVWQJMZRIH-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000430135837 429655974 /nfs/dbraw/zinc/65/59/74/429655974.db2.gz RLCMUVWQJMZRIH-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000430138805 429656390 /nfs/dbraw/zinc/65/63/90/429656390.db2.gz OHKVTHWHADCLRO-KVSKMBFKSA-N 2 1 301.478 2.985 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000430138805 429656392 /nfs/dbraw/zinc/65/63/92/429656392.db2.gz OHKVTHWHADCLRO-KVSKMBFKSA-N 2 1 301.478 2.985 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000430135838 429657794 /nfs/dbraw/zinc/65/77/94/429657794.db2.gz RLCMUVWQJMZRIH-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1OC ZINC000430135838 429657799 /nfs/dbraw/zinc/65/77/99/429657799.db2.gz RLCMUVWQJMZRIH-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1OC ZINC000430135838 429657804 /nfs/dbraw/zinc/65/78/04/429657804.db2.gz RLCMUVWQJMZRIH-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1OC ZINC000430135838 429657808 /nfs/dbraw/zinc/65/78/08/429657808.db2.gz RLCMUVWQJMZRIH-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP Cc1cccc2c(NC[C@H]3CCC[N@H+]3CCCO)c(C)c[nH+]c12 ZINC000450599981 429658208 /nfs/dbraw/zinc/65/82/08/429658208.db2.gz UQCPBQOKKNWUDC-MRXNPFEDSA-N 2 1 313.445 2.532 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCCC1(F)F ZINC000450598603 429659284 /nfs/dbraw/zinc/65/92/84/429659284.db2.gz JQAACYVRXLWARL-JJXSEGSLSA-N 2 1 316.436 2.995 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367517653 429664115 /nfs/dbraw/zinc/66/41/15/429664115.db2.gz CVPGILXNHSZOEU-SQNIBIBYSA-N 2 1 315.461 2.833 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000315652929 276018526 /nfs/dbraw/zinc/01/85/26/276018526.db2.gz XQTWETROEOQNOK-MELADBBJSA-N 2 1 308.388 2.806 20 0 DFADMP CC(C)(C)n1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cn1 ZINC000367472165 429654679 /nfs/dbraw/zinc/65/46/79/429654679.db2.gz FOMVICBVWDDZGH-IXDOHACOSA-N 2 1 302.466 2.554 20 0 DFADMP Cc1nccn1CC[N@@H+](CCc1ccccn1)Cc1cccnc1 ZINC000430347670 429677402 /nfs/dbraw/zinc/67/74/02/429677402.db2.gz PSPWGYAUFSQCMS-UHFFFAOYSA-N 2 1 321.428 2.726 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000355284037 276118299 /nfs/dbraw/zinc/11/82/99/276118299.db2.gz RBROFIBRQJZQBK-LMMKCTJWSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000367601352 429681965 /nfs/dbraw/zinc/68/19/65/429681965.db2.gz NSFIYRDZOANHOZ-RHSMWYFYSA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000367601352 429681972 /nfs/dbraw/zinc/68/19/72/429681972.db2.gz NSFIYRDZOANHOZ-RHSMWYFYSA-N 2 1 318.490 2.963 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000135199859 276224217 /nfs/dbraw/zinc/22/42/17/276224217.db2.gz HYKDENQFQPNTBO-AEFFLSMTSA-N 2 1 317.477 2.702 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000135199859 276224219 /nfs/dbraw/zinc/22/42/19/276224219.db2.gz HYKDENQFQPNTBO-AEFFLSMTSA-N 2 1 317.477 2.702 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000135199859 276224220 /nfs/dbraw/zinc/22/42/20/276224220.db2.gz HYKDENQFQPNTBO-AEFFLSMTSA-N 2 1 317.477 2.702 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@H](C)C1 ZINC000358374723 276230496 /nfs/dbraw/zinc/23/04/96/276230496.db2.gz OZIRTZUXIURKEV-FHLIZLRMSA-N 2 1 315.461 2.804 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1ccc(=O)[nH]n1 ZINC000367625883 429689899 /nfs/dbraw/zinc/68/98/99/429689899.db2.gz ZKTNNCCQGUBVCX-MQIPJXDCSA-N 2 1 318.446 2.587 20 0 DFADMP CCC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000261629419 276248906 /nfs/dbraw/zinc/24/89/06/276248906.db2.gz BTKCNAWLVDDMAL-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)C1CC[NH2+]CC1 ZINC000261629419 276248908 /nfs/dbraw/zinc/24/89/08/276248908.db2.gz BTKCNAWLVDDMAL-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000367614379 429687465 /nfs/dbraw/zinc/68/74/65/429687465.db2.gz GYLUXQHLJRBGNM-BBWFWOEESA-N 2 1 318.461 2.709 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000430538399 429688641 /nfs/dbraw/zinc/68/86/41/429688641.db2.gz BPJDDHGHLPSHQR-CYBMUJFWSA-N 2 1 314.433 2.718 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571650 429693068 /nfs/dbraw/zinc/69/30/68/429693068.db2.gz OOTBJVGHSHRBFY-GJZGRUSLSA-N 2 1 319.493 2.731 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571650 429693072 /nfs/dbraw/zinc/69/30/72/429693072.db2.gz OOTBJVGHSHRBFY-GJZGRUSLSA-N 2 1 319.493 2.731 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430572026 429693642 /nfs/dbraw/zinc/69/36/42/429693642.db2.gz IZQBUSZBQZBMRJ-BLLLJJGKSA-N 2 1 307.413 2.522 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430572026 429693646 /nfs/dbraw/zinc/69/36/46/429693646.db2.gz IZQBUSZBQZBMRJ-BLLLJJGKSA-N 2 1 307.413 2.522 20 0 DFADMP CC[NH+](CC)C[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271254543 276334406 /nfs/dbraw/zinc/33/44/06/276334406.db2.gz GGNGRCUBQFQSNX-WOJBJXKFSA-N 2 1 315.505 2.925 20 0 DFADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430574885 429694726 /nfs/dbraw/zinc/69/47/26/429694726.db2.gz PERDLKOQSAPBIO-IAGOWNOFSA-N 2 1 321.465 2.718 20 0 DFADMP CC[C@H](C(=O)Nc1ccc(OC)cc1)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430574885 429694730 /nfs/dbraw/zinc/69/47/30/429694730.db2.gz PERDLKOQSAPBIO-IAGOWNOFSA-N 2 1 321.465 2.718 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430574469 429694807 /nfs/dbraw/zinc/69/48/07/429694807.db2.gz SKVHCVSQJBXBEP-QAETUUGQSA-N 2 1 317.477 2.620 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430574469 429694812 /nfs/dbraw/zinc/69/48/12/429694812.db2.gz SKVHCVSQJBXBEP-QAETUUGQSA-N 2 1 317.477 2.620 20 0 DFADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000430569717 429695016 /nfs/dbraw/zinc/69/50/16/429695016.db2.gz AXLNNMGEGLNQKO-LJQANCHMSA-N 2 1 311.429 2.885 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1(C)C ZINC000370620340 276353612 /nfs/dbraw/zinc/35/36/12/276353612.db2.gz PEEGUHXCWWNMIB-OBVSXPTNSA-N 2 1 324.509 2.669 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)C1(C)C ZINC000370620340 276353616 /nfs/dbraw/zinc/35/36/16/276353616.db2.gz PEEGUHXCWWNMIB-OBVSXPTNSA-N 2 1 324.509 2.669 20 0 DFADMP Cc1cccc2ncc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)n21 ZINC000367685822 429699961 /nfs/dbraw/zinc/69/99/61/429699961.db2.gz LBYDTMIXKZNBQB-QGZVFWFLSA-N 2 1 312.461 2.806 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430602946 429700430 /nfs/dbraw/zinc/70/04/30/429700430.db2.gz IGHVHZWCBIJSQM-GFCCVEGCSA-N 2 1 302.340 2.755 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000361627494 276393755 /nfs/dbraw/zinc/39/37/55/276393755.db2.gz NKSSVVBOFRZXLB-HZPDHXFCSA-N 2 1 309.498 2.617 20 0 DFADMP Cc1nc([C@@H](C)[N@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000367710191 429705113 /nfs/dbraw/zinc/70/51/13/429705113.db2.gz VLKHIZNAVKUQQC-CYBMUJFWSA-N 2 1 315.421 2.682 20 0 DFADMP Cc1nc([C@@H](C)[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)no1 ZINC000367710191 429705120 /nfs/dbraw/zinc/70/51/20/429705120.db2.gz VLKHIZNAVKUQQC-CYBMUJFWSA-N 2 1 315.421 2.682 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430643519 429706292 /nfs/dbraw/zinc/70/62/92/429706292.db2.gz MBUSOMDWCZCOGB-RYRKJORJSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccccc1 ZINC000430643519 429706294 /nfs/dbraw/zinc/70/62/94/429706294.db2.gz MBUSOMDWCZCOGB-RYRKJORJSA-N 2 1 317.477 2.703 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430771429 429715891 /nfs/dbraw/zinc/71/58/91/429715891.db2.gz DDQQQMYZMYTPJB-BRWVUGGUSA-N 2 1 309.498 2.665 20 0 DFADMP C[C@H]1C[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)CC[C@H]1[NH3+] ZINC000430917747 429723146 /nfs/dbraw/zinc/72/31/46/429723146.db2.gz FGCBEKRVDCIBAV-SMDDNHRTSA-N 2 1 320.824 2.602 20 0 DFADMP CCc1ccc(-c2noc(C[NH+]3CCC(C[NH2+]C)CC3)n2)cc1 ZINC000430915239 429723350 /nfs/dbraw/zinc/72/33/50/429723350.db2.gz BZPWNOMEUDHUQH-UHFFFAOYSA-N 2 1 314.433 2.730 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2-c2ccccc2)C1 ZINC000430930658 429724591 /nfs/dbraw/zinc/72/45/91/429724591.db2.gz XYIYEAZBVRXNHN-MRXNPFEDSA-N 2 1 323.440 2.963 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430941277 429726255 /nfs/dbraw/zinc/72/62/55/429726255.db2.gz VLFWLKGGCMMMHG-QGZVFWFLSA-N 2 1 323.440 2.980 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430941277 429726261 /nfs/dbraw/zinc/72/62/61/429726261.db2.gz VLFWLKGGCMMMHG-QGZVFWFLSA-N 2 1 323.440 2.980 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNc2cc[nH+]cc2-c2cccnc2)C1 ZINC000367844457 429727870 /nfs/dbraw/zinc/72/78/70/429727870.db2.gz XBGDFJISKDONSR-MRXNPFEDSA-N 2 1 310.445 2.955 20 0 DFADMP CCC[N@H+](CCc1cccc(F)c1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431062688 429736816 /nfs/dbraw/zinc/73/68/16/429736816.db2.gz SJRFHKNQRHTUNO-UHFFFAOYSA-N 2 1 320.412 2.857 20 0 DFADMP CCC[N@@H+](CCc1cccc(F)c1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431062688 429736823 /nfs/dbraw/zinc/73/68/23/429736823.db2.gz SJRFHKNQRHTUNO-UHFFFAOYSA-N 2 1 320.412 2.857 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000431047080 429736906 /nfs/dbraw/zinc/73/69/06/429736906.db2.gz WRTMSRHKVFQABW-QZTJIDSGSA-N 2 1 317.477 2.532 20 0 DFADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000431065825 429739616 /nfs/dbraw/zinc/73/96/16/429739616.db2.gz KUYMNTPZCODLIN-OLZOCXBDSA-N 2 1 324.469 2.679 20 0 DFADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@H](OCC)C1(C)C ZINC000431065825 429739621 /nfs/dbraw/zinc/73/96/21/429739621.db2.gz KUYMNTPZCODLIN-OLZOCXBDSA-N 2 1 324.469 2.679 20 0 DFADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@@H+](C)Cc1ccccc1 ZINC000450980925 429744050 /nfs/dbraw/zinc/74/40/50/429744050.db2.gz HCRCSOWOXNMIBM-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000368135805 429796085 /nfs/dbraw/zinc/79/60/85/429796085.db2.gz RPTFQEDEMWZKTH-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000368135805 429796087 /nfs/dbraw/zinc/79/60/87/429796087.db2.gz RPTFQEDEMWZKTH-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000368135805 429796090 /nfs/dbraw/zinc/79/60/90/429796090.db2.gz RPTFQEDEMWZKTH-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451293099 429805514 /nfs/dbraw/zinc/80/55/14/429805514.db2.gz UYSNJPWLBYOVNF-IBGZPJMESA-N 2 1 323.525 2.876 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1CC1 ZINC000451300340 429806285 /nfs/dbraw/zinc/80/62/85/429806285.db2.gz USJKPFIIDGWBID-YUTCNCBUSA-N 2 1 308.388 2.542 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1CC1 ZINC000451300340 429806288 /nfs/dbraw/zinc/80/62/88/429806288.db2.gz USJKPFIIDGWBID-YUTCNCBUSA-N 2 1 308.388 2.542 20 0 DFADMP COc1ccc(O)cc1[C@H](C)N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368020379 429768512 /nfs/dbraw/zinc/76/85/12/429768512.db2.gz VTQZZJZJMILZTE-DFEHZGFQSA-N 2 1 316.445 2.878 20 0 DFADMP COc1ccc(O)cc1[C@H](C)N1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368020382 429768798 /nfs/dbraw/zinc/76/87/98/429768798.db2.gz VTQZZJZJMILZTE-ZZCKCESHSA-N 2 1 316.445 2.878 20 0 DFADMP C[C@@]1(F)CCC[N@@H+](CCOCC[NH+]2CCC[C@](C)(F)C2)C1 ZINC000451116683 429771693 /nfs/dbraw/zinc/77/16/93/429771693.db2.gz SINCBJKSLDXREM-IYBDPMFKSA-N 2 1 304.425 2.651 20 0 DFADMP C[C@@]1(F)CCC[NH+](CCOCC[N@@H+]2CCC[C@](C)(F)C2)C1 ZINC000451116683 429771697 /nfs/dbraw/zinc/77/16/97/429771697.db2.gz SINCBJKSLDXREM-IYBDPMFKSA-N 2 1 304.425 2.651 20 0 DFADMP C[C@@]1(F)CCC[NH+](CCOCC[N@H+]2CCC[C@](C)(F)C2)C1 ZINC000451116683 429771700 /nfs/dbraw/zinc/77/17/00/429771700.db2.gz SINCBJKSLDXREM-IYBDPMFKSA-N 2 1 304.425 2.651 20 0 DFADMP CCC[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431615623 429773331 /nfs/dbraw/zinc/77/33/31/429773331.db2.gz YFXUAOJJQVOUGZ-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP O=C(NCCC[NH+]1CCCCC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431629664 429773857 /nfs/dbraw/zinc/77/38/57/429773857.db2.gz XTHLCAYAXOFNOW-GOSISDBHSA-N 2 1 321.509 2.776 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000431724965 429779450 /nfs/dbraw/zinc/77/94/50/429779450.db2.gz XWCMKKKYDIZSOR-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1c[nH]nc1C[NH2+]CC1CC[NH+](CCc2ccccc2)CC1 ZINC000368093435 429785784 /nfs/dbraw/zinc/78/57/84/429785784.db2.gz QYRWLNJSEAOIQL-UHFFFAOYSA-N 2 1 312.461 2.762 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000431841391 429785926 /nfs/dbraw/zinc/78/59/26/429785926.db2.gz BWXUDSLUGJDTHX-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP COc1ncc([C@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000368103459 429789541 /nfs/dbraw/zinc/78/95/41/429789541.db2.gz VXEIDVYYVVTUSJ-GXSJLCMTSA-N 2 1 306.797 2.675 20 0 DFADMP CSC1(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)CCC1 ZINC000368111799 429790305 /nfs/dbraw/zinc/79/03/05/429790305.db2.gz ZXHMKEZKIHCWLR-HOTGVXAUSA-N 2 1 305.491 2.950 20 0 DFADMP CSC1(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)CCC1 ZINC000368111799 429790309 /nfs/dbraw/zinc/79/03/09/429790309.db2.gz ZXHMKEZKIHCWLR-HOTGVXAUSA-N 2 1 305.491 2.950 20 0 DFADMP O=C(NCC[NH+]1CCCCCC1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431913956 429790367 /nfs/dbraw/zinc/79/03/67/429790367.db2.gz OVEZKGDDDBYCBA-SFHVURJKSA-N 2 1 321.509 2.776 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C(=O)C=Cc1c[nH]cn1 ZINC000493729754 429818948 /nfs/dbraw/zinc/81/89/48/429818948.db2.gz UXAFBGXTFIJFOO-HLRDLLSLSA-N 2 1 324.428 2.546 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@H](C)C1 ZINC000527923655 429821087 /nfs/dbraw/zinc/82/10/87/429821087.db2.gz DIBWWEGRMVEJQJ-SQNIBIBYSA-N 2 1 312.498 2.530 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2cccc(OC)c2)[C@H](C)C1 ZINC000527921034 429821269 /nfs/dbraw/zinc/82/12/69/429821269.db2.gz PTVRZYZNJYKKBO-JLSDUUJJSA-N 2 1 306.450 2.703 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)c2cccc(OC)c2)[C@@H](C)C1 ZINC000527921035 429821814 /nfs/dbraw/zinc/82/18/14/429821814.db2.gz PTVRZYZNJYKKBO-WBAXXEDZSA-N 2 1 306.450 2.703 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@]1(C)COc2ccccc2O1 ZINC000527930045 429823740 /nfs/dbraw/zinc/82/37/40/429823740.db2.gz HDKZRAHYTNKBRZ-ADAWSYLGSA-N 2 1 304.434 2.535 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976298 429828956 /nfs/dbraw/zinc/82/89/56/429828956.db2.gz DJKVKUAKERHXGE-ZTRSQXPZSA-N 2 1 300.446 2.666 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000528019867 429836814 /nfs/dbraw/zinc/83/68/14/429836814.db2.gz UPBGDUFBYCPOKQ-WFAGLZIHSA-N 2 1 314.473 2.790 20 0 DFADMP c1ccc(COC2CC([NH2+][C@H]3CC[N@@H+]4CCCC[C@H]34)C2)cc1 ZINC000493888960 429846933 /nfs/dbraw/zinc/84/69/33/429846933.db2.gz QTOREDBQUQSQIC-WZOJCFFYSA-N 2 1 300.446 2.951 20 0 DFADMP c1ccc(COC2CC([NH2+][C@H]3CC[N@H+]4CCCC[C@H]34)C2)cc1 ZINC000493888960 429846936 /nfs/dbraw/zinc/84/69/36/429846936.db2.gz QTOREDBQUQSQIC-WZOJCFFYSA-N 2 1 300.446 2.951 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCCOC(F)F)sc2C1 ZINC000368476392 429854675 /nfs/dbraw/zinc/85/46/75/429854675.db2.gz CDLXXWMTNIBKTA-UHFFFAOYSA-N 2 1 319.421 2.629 20 0 DFADMP COCCC(C)(C)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000368236774 429814373 /nfs/dbraw/zinc/81/43/73/429814373.db2.gz VYDCVPWVJWOVNO-UHFFFAOYSA-N 2 1 311.495 2.814 20 0 DFADMP COCCC(C)(C)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000368236774 429814377 /nfs/dbraw/zinc/81/43/77/429814377.db2.gz VYDCVPWVJWOVNO-UHFFFAOYSA-N 2 1 311.495 2.814 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@H]1CC12CC2 ZINC000527886530 429814400 /nfs/dbraw/zinc/81/44/00/429814400.db2.gz KYJLESPCABVMNC-BMGDILEWSA-N 2 1 300.446 2.531 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H]2CCC[C@@H]21 ZINC000368607119 429877519 /nfs/dbraw/zinc/87/75/19/429877519.db2.gz GVIRAFJLEKNDKG-MPGHIAIKSA-N 2 1 312.461 2.958 20 0 DFADMP CSCCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000368633106 429879641 /nfs/dbraw/zinc/87/96/41/429879641.db2.gz KULFRSITQPKKAV-YESZJQIVSA-N 2 1 314.539 2.999 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494555961 429880297 /nfs/dbraw/zinc/88/02/97/429880297.db2.gz SMMGORSVYHGWNK-RRFJBIMHSA-N 2 1 313.486 2.610 20 0 DFADMP CC[NH+]1CCC([N@H+](C)C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528392690 429883938 /nfs/dbraw/zinc/88/39/38/429883938.db2.gz CZMMCJZRGZSIBS-SFHVURJKSA-N 2 1 308.441 2.799 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)C[C@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528392690 429883939 /nfs/dbraw/zinc/88/39/39/429883939.db2.gz CZMMCJZRGZSIBS-SFHVURJKSA-N 2 1 308.441 2.799 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528392791 429884677 /nfs/dbraw/zinc/88/46/77/429884677.db2.gz DJMWLSRYWXVQJS-JCGIZDLHSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528392791 429884678 /nfs/dbraw/zinc/88/46/78/429884678.db2.gz DJMWLSRYWXVQJS-JCGIZDLHSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528392791 429884679 /nfs/dbraw/zinc/88/46/79/429884679.db2.gz DJMWLSRYWXVQJS-JCGIZDLHSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528392791 429884680 /nfs/dbraw/zinc/88/46/80/429884680.db2.gz DJMWLSRYWXVQJS-JCGIZDLHSA-N 2 1 308.441 2.798 20 0 DFADMP OCc1ccc(F)c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000528421777 429886655 /nfs/dbraw/zinc/88/66/55/429886655.db2.gz BFPJLUUVKZVLAJ-DNVCBOLYSA-N 2 1 318.436 2.767 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC2(CCC[N@@H+]2C)CC1 ZINC000528431041 429887964 /nfs/dbraw/zinc/88/79/64/429887964.db2.gz LAYKRMVJNDVZSG-GOSISDBHSA-N 2 1 320.452 2.943 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000528431041 429887966 /nfs/dbraw/zinc/88/79/66/429887966.db2.gz LAYKRMVJNDVZSG-GOSISDBHSA-N 2 1 320.452 2.943 20 0 DFADMP C(CC[NH+]1CCO[C@H]2CCC[C@H]21)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736154 429891487 /nfs/dbraw/zinc/89/14/87/429891487.db2.gz NHGVHQXZZAXYKL-SEXKYXSUSA-N 2 1 322.493 2.663 20 0 DFADMP C(CC[NH+]1CCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000368736154 429891489 /nfs/dbraw/zinc/89/14/89/429891489.db2.gz NHGVHQXZZAXYKL-SEXKYXSUSA-N 2 1 322.493 2.663 20 0 DFADMP C(CC[NH+]1CCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCO[C@H]2CCC[C@H]21 ZINC000368736154 429891491 /nfs/dbraw/zinc/89/14/91/429891491.db2.gz NHGVHQXZZAXYKL-SEXKYXSUSA-N 2 1 322.493 2.663 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000369033249 429908792 /nfs/dbraw/zinc/90/87/92/429908792.db2.gz XXRYWVAVPIFIPB-CABCVRRESA-N 2 1 320.481 2.947 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(C)(C)C)C1 ZINC000369033249 429908793 /nfs/dbraw/zinc/90/87/93/429908793.db2.gz XXRYWVAVPIFIPB-CABCVRRESA-N 2 1 320.481 2.947 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528740737 429911814 /nfs/dbraw/zinc/91/18/14/429911814.db2.gz RSYWUHPLUVXEAX-UHFFFAOYSA-N 2 1 311.433 2.697 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2nc(C3CC3)ncc2C1 ZINC000528740737 429911818 /nfs/dbraw/zinc/91/18/18/429911818.db2.gz RSYWUHPLUVXEAX-UHFFFAOYSA-N 2 1 311.433 2.697 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H](c2ccnn2C)C1)[NH+]1CCCC1 ZINC000369144304 429915553 /nfs/dbraw/zinc/91/55/53/429915553.db2.gz OCVRWSVNOHTOMQ-GVDBMIGSSA-N 2 1 304.482 2.910 20 0 DFADMP Cc1cc(N2CCN(c3cc[nH+]c4ccccc43)CC2)nc(C)[nH+]1 ZINC000558090071 429962143 /nfs/dbraw/zinc/96/21/43/429962143.db2.gz YSZKCYXRKBYWIF-UHFFFAOYSA-N 2 1 319.412 2.968 20 0 DFADMP C[NH+](C)Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000558349930 429968004 /nfs/dbraw/zinc/96/80/04/429968004.db2.gz JZVBWUBFVAGTJN-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccncc3Br)C2)CC1 ZINC000639754884 429970249 /nfs/dbraw/zinc/97/02/49/429970249.db2.gz BXGHMRXCUKDGDH-UHFFFAOYSA-N 2 1 324.266 2.762 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)CC1 ZINC000639755397 429970370 /nfs/dbraw/zinc/97/03/70/429970370.db2.gz JUWHEHXJSGOKTP-QGZVFWFLSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc4ccccc4[nH]c3=O)C2)CC1 ZINC000639758178 429970468 /nfs/dbraw/zinc/97/04/68/429970468.db2.gz PWVSXWREZBMPKX-UHFFFAOYSA-N 2 1 311.429 2.858 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)CC1 ZINC000639757168 429971002 /nfs/dbraw/zinc/97/10/02/429971002.db2.gz HZZZEJBJHALEEQ-UHFFFAOYSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccc(Cl)cc3)C2)CC1 ZINC000639757313 429971353 /nfs/dbraw/zinc/97/13/53/429971353.db2.gz FUOQVVRYOYDDBH-UHFFFAOYSA-N 2 1 321.852 2.696 20 0 DFADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000573674922 429971643 /nfs/dbraw/zinc/97/16/43/429971643.db2.gz NPJAFGRNVODBTF-FCLJQHQZSA-N 2 1 307.869 2.815 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759783 429973437 /nfs/dbraw/zinc/97/34/37/429973437.db2.gz JMRLEJNCVXLZPI-INIZCTEOSA-N 2 1 315.461 2.740 20 0 DFADMP CCCCNc1cc(C)[nH+]c(N2CCC[C@@H](c3[nH]cc[nH+]3)C2)n1 ZINC000631096984 429974136 /nfs/dbraw/zinc/97/41/36/429974136.db2.gz NPGXLQRZRULRNB-CQSZACIVSA-N 2 1 314.437 3.104 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCC=C(C)C)CC2)CC1 ZINC000573739999 429978666 /nfs/dbraw/zinc/97/86/66/429978666.db2.gz WLGJBBSPKQBTLS-UHFFFAOYSA-N 2 1 321.509 2.655 20 0 DFADMP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@@H+]2C)c2ccccn21 ZINC000573125407 429929507 /nfs/dbraw/zinc/92/95/07/429929507.db2.gz GILNKJLBFIRRDJ-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP CC(C)c1[nH+]c(CN(C)C[C@@H]2CCC[N@H+]2C)c2ccccn21 ZINC000573125407 429929514 /nfs/dbraw/zinc/92/95/14/429929514.db2.gz GILNKJLBFIRRDJ-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP CCCN(C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C1CC1 ZINC000557425612 429938974 /nfs/dbraw/zinc/93/89/74/429938974.db2.gz MWEBYYLVQREAQM-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1ccc2nc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000639682430 429944521 /nfs/dbraw/zinc/94/45/21/429944521.db2.gz XKPSXFNVAJGIPW-UHFFFAOYSA-N 2 1 321.428 2.750 20 0 DFADMP Cc1ccc2nc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2c1 ZINC000639682430 429944525 /nfs/dbraw/zinc/94/45/25/429944525.db2.gz XKPSXFNVAJGIPW-UHFFFAOYSA-N 2 1 321.428 2.750 20 0 DFADMP CN(C)[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000639805954 429986506 /nfs/dbraw/zinc/98/65/06/429986506.db2.gz OOODYGWISWDTQN-LJQANCHMSA-N 2 1 301.478 2.808 20 0 DFADMP CN(C)[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000639805954 429986510 /nfs/dbraw/zinc/98/65/10/429986510.db2.gz OOODYGWISWDTQN-LJQANCHMSA-N 2 1 301.478 2.808 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484478 429954170 /nfs/dbraw/zinc/95/41/70/429954170.db2.gz NAOQWUYHIHUADR-CZUORRHYSA-N 2 1 300.406 2.586 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484478 429954176 /nfs/dbraw/zinc/95/41/76/429954176.db2.gz NAOQWUYHIHUADR-CZUORRHYSA-N 2 1 300.406 2.586 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484478 429954181 /nfs/dbraw/zinc/95/41/81/429954181.db2.gz NAOQWUYHIHUADR-CZUORRHYSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484478 429954186 /nfs/dbraw/zinc/95/41/86/429954186.db2.gz NAOQWUYHIHUADR-CZUORRHYSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@H]21 ZINC000369484478 429954191 /nfs/dbraw/zinc/95/41/91/429954191.db2.gz NAOQWUYHIHUADR-CZUORRHYSA-N 2 1 300.406 2.586 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CCC[C@H](C)O)C2)s1 ZINC000574330392 430031603 /nfs/dbraw/zinc/03/16/03/430031603.db2.gz UDNOKAHOGKJFAV-HOCLYGCPSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC[C@H](C)O)C2)s1 ZINC000574330392 430031608 /nfs/dbraw/zinc/03/16/08/430031608.db2.gz UDNOKAHOGKJFAV-HOCLYGCPSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC[C@H](C)O)C2)s1 ZINC000574330392 430031610 /nfs/dbraw/zinc/03/16/10/430031610.db2.gz UDNOKAHOGKJFAV-HOCLYGCPSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(Cc2ccco2)C1 ZINC000529648706 430046254 /nfs/dbraw/zinc/04/62/54/430046254.db2.gz HQAGFVMLPHWVPY-UHFFFAOYSA-N 2 1 308.385 2.843 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CN1CCC(CCF)CC1 ZINC000639988637 430046640 /nfs/dbraw/zinc/04/66/40/430046640.db2.gz INZCUCOPPPYGBO-GOSISDBHSA-N 2 1 308.441 2.551 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H](n4ccnn4)CC3)cc2)cn1 ZINC000639846773 430000418 /nfs/dbraw/zinc/00/04/18/430000418.db2.gz YGCVFHGAQYVAAH-GOSISDBHSA-N 2 1 322.416 2.691 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874687 430006423 /nfs/dbraw/zinc/00/64/23/430006423.db2.gz YLCWZJSHSFZGRQ-UHFFFAOYSA-N 2 1 302.397 2.766 20 0 DFADMP CC1=CC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000560484192 430048346 /nfs/dbraw/zinc/04/83/46/430048346.db2.gz MPQKNIMTYHARRD-RTBURBONSA-N 2 1 300.446 2.712 20 0 DFADMP CC1=CC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560484192 430048350 /nfs/dbraw/zinc/04/83/50/430048350.db2.gz MPQKNIMTYHARRD-RTBURBONSA-N 2 1 300.446 2.712 20 0 DFADMP CC[NH2+]CCC[NH2+][C@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000574188707 430020750 /nfs/dbraw/zinc/02/07/50/430020750.db2.gz WAUFEVRKPFDCEY-ZDUSSCGKSA-N 2 1 308.422 2.731 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2cc[nH]c2c1 ZINC000529537128 430023340 /nfs/dbraw/zinc/02/33/40/430023340.db2.gz PMZVVCKUMTVQKS-BHIYHBOVSA-N 2 1 313.445 2.851 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)O[C@H](C)C2 ZINC000634732308 430092964 /nfs/dbraw/zinc/09/29/64/430092964.db2.gz CMGXDLIAEBBJRH-CZUORRHYSA-N 2 1 318.461 2.886 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C2 ZINC000561976898 430103370 /nfs/dbraw/zinc/10/33/70/430103370.db2.gz VVDHWBYHCRHFFB-RDJZCZTQSA-N 2 1 302.462 2.872 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ncccc2Cl)C1 ZINC000530221541 430105274 /nfs/dbraw/zinc/10/52/74/430105274.db2.gz GFEGWVNPIPSIOX-KCXAZCMYSA-N 2 1 309.841 2.596 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000530226140 430105533 /nfs/dbraw/zinc/10/55/33/430105533.db2.gz PXORYXYERMCMPF-AHEZYBDSSA-N 2 1 308.441 2.688 20 0 DFADMP CC(C)[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000530245155 430107556 /nfs/dbraw/zinc/10/75/56/430107556.db2.gz UZLNOKQLQNXLPK-PMACEKPBSA-N 2 1 315.505 2.828 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000640016123 430056018 /nfs/dbraw/zinc/05/60/18/430056018.db2.gz UQNQZYAATGMTTB-UHFFFAOYSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063366 430076502 /nfs/dbraw/zinc/07/65/02/430076502.db2.gz FKJOYFSZGCFXSY-NSHDSACASA-N 2 1 300.362 2.550 20 0 DFADMP CC1(F)CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000640073164 430080881 /nfs/dbraw/zinc/08/08/81/430080881.db2.gz MADRDLQCDNFRJE-UHFFFAOYSA-N 2 1 306.425 2.843 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]CC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000580769673 430150598 /nfs/dbraw/zinc/15/05/98/430150598.db2.gz ZNUIQQRHVSCVTH-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)CCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637870465 430153656 /nfs/dbraw/zinc/15/36/56/430153656.db2.gz SQKYPYMCFIRTLE-UHFFFAOYSA-N 2 1 317.477 2.532 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000562657788 430160619 /nfs/dbraw/zinc/16/06/19/430160619.db2.gz GZDCSTXFOKTTQP-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000562657788 430160624 /nfs/dbraw/zinc/16/06/24/430160624.db2.gz GZDCSTXFOKTTQP-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000562657788 430160627 /nfs/dbraw/zinc/16/06/27/430160627.db2.gz GZDCSTXFOKTTQP-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930971 430175906 /nfs/dbraw/zinc/17/59/06/430175906.db2.gz WTFSCPOLFIPSFR-MSOLQXFVSA-N 2 1 301.478 2.787 20 0 DFADMP C[NH+](C[C@@H]1CCN(c2ccccc2)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930971 430175908 /nfs/dbraw/zinc/17/59/08/430175908.db2.gz WTFSCPOLFIPSFR-MSOLQXFVSA-N 2 1 301.478 2.787 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000580554569 430134648 /nfs/dbraw/zinc/13/46/48/430134648.db2.gz XXJPHWYJTUOJGM-AWEZNQCLSA-N 2 1 323.868 2.990 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@](C)(O)c3ccccc3)C2)CC1 ZINC000374073550 277036647 /nfs/dbraw/zinc/03/66/47/277036647.db2.gz BCCGWHCXLQFWSL-SFHVURJKSA-N 2 1 302.462 2.702 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc3c(c2)OCCO3)CC1 ZINC000375513050 277038476 /nfs/dbraw/zinc/03/84/76/277038476.db2.gz UAHMMIWMMONWJC-UHFFFAOYSA-N 2 1 302.418 2.518 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289479860 277045936 /nfs/dbraw/zinc/04/59/36/277045936.db2.gz NZTXTLSOUQKHTP-RBUKOAKNSA-N 2 1 313.489 2.998 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289479860 277045938 /nfs/dbraw/zinc/04/59/38/277045938.db2.gz NZTXTLSOUQKHTP-RBUKOAKNSA-N 2 1 313.489 2.998 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCCN2c3ccccc3C[C@@H]2C1 ZINC000289479860 277045940 /nfs/dbraw/zinc/04/59/40/277045940.db2.gz NZTXTLSOUQKHTP-RBUKOAKNSA-N 2 1 313.489 2.998 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCSc3ccccc32)CC1 ZINC000246971736 277051464 /nfs/dbraw/zinc/05/14/64/277051464.db2.gz JNSUXPMYMNGBKD-KRWDZBQOSA-N 2 1 319.518 2.841 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+]2CC(C)C)[C@H]1C ZINC000354571489 277065736 /nfs/dbraw/zinc/06/57/36/277065736.db2.gz QBZLKGWBBBWEHK-QAETUUGQSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+]2CC(C)C)[C@H]1C ZINC000354571489 277065738 /nfs/dbraw/zinc/06/57/38/277065738.db2.gz QBZLKGWBBBWEHK-QAETUUGQSA-N 2 1 310.482 2.674 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367738361 277073416 /nfs/dbraw/zinc/07/34/16/277073416.db2.gz UAKQOJXDCUMTIM-IPMKNSEASA-N 2 1 315.461 2.650 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(Br)cn1 ZINC000581220202 430188270 /nfs/dbraw/zinc/18/82/70/430188270.db2.gz CLRDKMOLSFCBCG-GXSJLCMTSA-N 2 1 321.222 2.775 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000634999221 430189055 /nfs/dbraw/zinc/18/90/55/430189055.db2.gz RIMCCVDUKFHTLS-WCQYABFASA-N 2 1 312.841 2.774 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc(Cl)c1OC ZINC000634999221 430189057 /nfs/dbraw/zinc/18/90/57/430189057.db2.gz RIMCCVDUKFHTLS-WCQYABFASA-N 2 1 312.841 2.774 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000634999762 430189293 /nfs/dbraw/zinc/18/92/93/430189293.db2.gz YSHNQNNPDICUQP-JQWIXIFHSA-N 2 1 320.330 2.793 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000634999762 430189296 /nfs/dbraw/zinc/18/92/96/430189296.db2.gz YSHNQNNPDICUQP-JQWIXIFHSA-N 2 1 320.330 2.793 20 0 DFADMP CCCOc1c(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cccc1OCC ZINC000635000444 430189477 /nfs/dbraw/zinc/18/94/77/430189477.db2.gz OKGWZOISWOPYQJ-GOEBONIOSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@H]1C[NH3+] ZINC000634999286 430189627 /nfs/dbraw/zinc/18/96/27/430189627.db2.gz RYWUTEZVSBYCFJ-XJKSGUPXSA-N 2 1 318.852 2.611 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999160 430189786 /nfs/dbraw/zinc/18/97/86/430189786.db2.gz QUKWPTMCBLZQCN-KBXCAEBGSA-N 2 1 311.429 2.784 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1C[NH3+] ZINC000634998614 430190622 /nfs/dbraw/zinc/19/06/22/430190622.db2.gz IMHRKBKFJCFKKR-DOTOQJQBSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@@H]1CCCCN1C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640531426 430191226 /nfs/dbraw/zinc/19/12/26/430191226.db2.gz IMQSTNGGBUCIIS-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)[C@@H]1CCC[NH2+]1 ZINC000635003496 430191250 /nfs/dbraw/zinc/19/12/50/430191250.db2.gz KFMKYVRHAQSKCE-BTQADYBMSA-N 2 1 321.262 2.817 20 0 DFADMP CNC(=O)c1ccc(C[N@@H+](C)CCCC[NH+]2CCCCC2)cc1 ZINC000640532089 430191474 /nfs/dbraw/zinc/19/14/74/430191474.db2.gz VYANIDAXJAOPQT-UHFFFAOYSA-N 2 1 317.477 2.744 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CCC[C@H]([NH3+])C1 ZINC000635002973 430192526 /nfs/dbraw/zinc/19/25/26/430192526.db2.gz CSRKHEKPSLYECV-XGXHKWSGSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000635002973 430192530 /nfs/dbraw/zinc/19/25/30/430192530.db2.gz CSRKHEKPSLYECV-XGXHKWSGSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000635002973 430192534 /nfs/dbraw/zinc/19/25/34/430192534.db2.gz CSRKHEKPSLYECV-XGXHKWSGSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000635005163 430193364 /nfs/dbraw/zinc/19/33/64/430193364.db2.gz RXNQACCTIKFPDT-JYBIWHBTSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000635005163 430193367 /nfs/dbraw/zinc/19/33/67/430193367.db2.gz RXNQACCTIKFPDT-JYBIWHBTSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000635005163 430193369 /nfs/dbraw/zinc/19/33/69/430193369.db2.gz RXNQACCTIKFPDT-JYBIWHBTSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979676 430193797 /nfs/dbraw/zinc/19/37/97/430193797.db2.gz UZIQIPQFXNEHBI-RDJZCZTQSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979676 430193802 /nfs/dbraw/zinc/19/38/02/430193802.db2.gz UZIQIPQFXNEHBI-RDJZCZTQSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979676 430193806 /nfs/dbraw/zinc/19/38/06/430193806.db2.gz UZIQIPQFXNEHBI-RDJZCZTQSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979676 430193808 /nfs/dbraw/zinc/19/38/08/430193808.db2.gz UZIQIPQFXNEHBI-RDJZCZTQSA-N 2 1 303.450 2.874 20 0 DFADMP COc1ccnc(C[N@H+](C)CCCC[NH+]2CCCCC2)c1OC ZINC000640534321 430194267 /nfs/dbraw/zinc/19/42/67/430194267.db2.gz PNUXHNUMTKBGSQ-UHFFFAOYSA-N 2 1 321.465 2.797 20 0 DFADMP COc1ccnc(C[N@@H+](C)CCCC[NH+]2CCCCC2)c1OC ZINC000640534321 430194273 /nfs/dbraw/zinc/19/42/73/430194273.db2.gz PNUXHNUMTKBGSQ-UHFFFAOYSA-N 2 1 321.465 2.797 20 0 DFADMP CCc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000542019062 430201157 /nfs/dbraw/zinc/20/11/57/430201157.db2.gz FFDBYDDLUFSIRI-DZGCQCFKSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1cc(N[C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019062 430201160 /nfs/dbraw/zinc/20/11/60/430201160.db2.gz FFDBYDDLUFSIRI-DZGCQCFKSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1cc(N[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019062 430201162 /nfs/dbraw/zinc/20/11/62/430201162.db2.gz FFDBYDDLUFSIRI-DZGCQCFKSA-N 2 1 302.466 3.412 20 0 DFADMP CC[C@H]([NH2+]C[C@H](CO)c1ccc(Cl)cc1)[C@@H]1CCCC[NH2+]1 ZINC000635014387 430198647 /nfs/dbraw/zinc/19/86/47/430198647.db2.gz RLGDMYGKGBRXBL-PVAVHDDUSA-N 2 1 310.869 2.926 20 0 DFADMP C[C@@H](Cc1ccsc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542167429 430204992 /nfs/dbraw/zinc/20/49/92/430204992.db2.gz ONECYMUCPGKFFO-SOLBZPMBSA-N 2 1 321.534 2.637 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000638051614 430218290 /nfs/dbraw/zinc/21/82/90/430218290.db2.gz MOTPABXCPPRAQT-CJNGLKHVSA-N 2 1 323.868 2.591 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000638063369 430223376 /nfs/dbraw/zinc/22/33/76/430223376.db2.gz MFEUPTFGUXLJOJ-CVEARBPZSA-N 2 1 317.477 2.533 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)Nc1cc[nH+]c(N2CCCCC2)n1 ZINC000542766942 430223796 /nfs/dbraw/zinc/22/37/96/430223796.db2.gz UBFUHPSZBCYMNV-INIZCTEOSA-N 2 1 319.497 3.389 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000638064377 430223806 /nfs/dbraw/zinc/22/38/06/430223806.db2.gz SUKINPZQDORATK-GJZGRUSLSA-N 2 1 303.450 2.855 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000638064388 430224401 /nfs/dbraw/zinc/22/44/01/430224401.db2.gz SYRZBCWDJNEKQI-CVEARBPZSA-N 2 1 317.477 2.675 20 0 DFADMP Cc1c([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)nnn1-c1ccccc1 ZINC000581825036 430242171 /nfs/dbraw/zinc/24/21/71/430242171.db2.gz VLINNCLPIJWRSR-AWEZNQCLSA-N 2 1 321.428 2.885 20 0 DFADMP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)c(=O)[nH]1 ZINC000543414619 430247427 /nfs/dbraw/zinc/24/74/27/430247427.db2.gz IRGOSHKMQGOKQI-CXAGYDPISA-N 2 1 318.465 2.623 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133947 430248935 /nfs/dbraw/zinc/24/89/35/430248935.db2.gz LTDZBZNCGSHYJO-QZTJIDSGSA-N 2 1 301.478 2.787 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133947 430248938 /nfs/dbraw/zinc/24/89/38/430248938.db2.gz LTDZBZNCGSHYJO-QZTJIDSGSA-N 2 1 301.478 2.787 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133947 430248942 /nfs/dbraw/zinc/24/89/42/430248942.db2.gz LTDZBZNCGSHYJO-QZTJIDSGSA-N 2 1 301.478 2.787 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CC[NH+]1C1CCCC1 ZINC000635323715 430255436 /nfs/dbraw/zinc/25/54/36/430255436.db2.gz AVQBCCSJEIJFOC-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635323715 430255442 /nfs/dbraw/zinc/25/54/42/430255442.db2.gz AVQBCCSJEIJFOC-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000635323715 430255448 /nfs/dbraw/zinc/25/54/48/430255448.db2.gz AVQBCCSJEIJFOC-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP COc1cccc(C)c1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000638183613 430265292 /nfs/dbraw/zinc/26/52/92/430265292.db2.gz VGEUBPCFWIXZFU-VDZJLULYSA-N 2 1 318.461 2.687 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000544351100 430280058 /nfs/dbraw/zinc/28/00/58/430280058.db2.gz KDBKBOBAIDTGAQ-HNNXBMFYSA-N 2 1 322.416 2.678 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]([NH3+])CCC(C)C)c1 ZINC000638078841 430228105 /nfs/dbraw/zinc/22/81/05/430228105.db2.gz HAWMBHIXABSGRP-KRWDZBQOSA-N 2 1 305.466 2.518 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+]1CC[C@H](C[NH+](C)C)C1)CC2 ZINC000638076049 430228835 /nfs/dbraw/zinc/22/88/35/430228835.db2.gz IJMZGHFDCCJQML-CZUORRHYSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+]1CC[C@H](C[NH+](C)C)C1)CC2 ZINC000638076049 430228837 /nfs/dbraw/zinc/22/88/37/430228837.db2.gz IJMZGHFDCCJQML-CZUORRHYSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc(F)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1OC ZINC000581671001 430230844 /nfs/dbraw/zinc/23/08/44/430230844.db2.gz CEAQCVCUNDYVCH-UHFFFAOYSA-N 2 1 310.413 2.807 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnn2CC2CCC2)C[C@H]1C ZINC000638109502 430237747 /nfs/dbraw/zinc/23/77/47/430237747.db2.gz FUWPYWJQXVTZFH-NVXWUHKLSA-N 2 1 304.482 2.988 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000566119043 430240280 /nfs/dbraw/zinc/24/02/80/430240280.db2.gz OXNKOMQPMCXXJD-OAHLLOKOSA-N 2 1 321.440 2.784 20 0 DFADMP c1cnn(C2CC([NH2+]C3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000638301852 430296912 /nfs/dbraw/zinc/29/69/12/430296912.db2.gz QESONGFVEAESNA-UHFFFAOYSA-N 2 1 310.445 2.841 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CC1(F)F ZINC000638304963 430298892 /nfs/dbraw/zinc/29/88/92/430298892.db2.gz NODGWRBGXAQIMN-CZUORRHYSA-N 2 1 310.388 2.652 20 0 DFADMP CO[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)C ZINC000638304658 430299320 /nfs/dbraw/zinc/29/93/20/430299320.db2.gz JCFRIIQEUNCGLY-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP CO[C@H](C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)C ZINC000638304657 430299538 /nfs/dbraw/zinc/29/95/38/430299538.db2.gz JCFRIIQEUNCGLY-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP COc1ccc(C)cc1[C@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638310503 430300894 /nfs/dbraw/zinc/30/08/94/430300894.db2.gz XSOVPCFIONBDEF-HNNXBMFYSA-N 2 1 320.477 2.890 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)CC2(C)C)c2ccccn21 ZINC000568031173 430307670 /nfs/dbraw/zinc/30/76/70/430307670.db2.gz PXGHZSIBFPODJG-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)CC2(C)C)c2ccccn21 ZINC000568031173 430307672 /nfs/dbraw/zinc/30/76/72/430307672.db2.gz PXGHZSIBFPODJG-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+]CCC1CCOCC1)C2 ZINC000638336342 430307971 /nfs/dbraw/zinc/30/79/71/430307971.db2.gz TWMMZNMDTAGBSX-UHFFFAOYSA-N 2 1 302.462 2.841 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+]CCC1CCOCC1)C2 ZINC000638336342 430307974 /nfs/dbraw/zinc/30/79/74/430307974.db2.gz TWMMZNMDTAGBSX-UHFFFAOYSA-N 2 1 302.462 2.841 20 0 DFADMP c1cnn(C2CC([NH2+]CCC[N@@H+]3CCc4ccccc4C3)C2)c1 ZINC000638334868 430308958 /nfs/dbraw/zinc/30/89/58/430308958.db2.gz FNADCUPCOAZXDJ-UHFFFAOYSA-N 2 1 310.445 2.625 20 0 DFADMP c1cnn(C2CC([NH2+]CCC[N@H+]3CCc4ccccc4C3)C2)c1 ZINC000638334868 430308962 /nfs/dbraw/zinc/30/89/62/430308962.db2.gz FNADCUPCOAZXDJ-UHFFFAOYSA-N 2 1 310.445 2.625 20 0 DFADMP CC[C@@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)[NH+]1CCCC1 ZINC000638354473 430312968 /nfs/dbraw/zinc/31/29/68/430312968.db2.gz NUICVSAZOFOPJT-MSOLQXFVSA-N 2 1 301.478 2.977 20 0 DFADMP OCCC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605609 430315379 /nfs/dbraw/zinc/31/53/79/430315379.db2.gz HWSNWBPDYBNTJT-SFHVURJKSA-N 2 1 314.473 2.936 20 0 DFADMP OCCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605609 430315380 /nfs/dbraw/zinc/31/53/80/430315380.db2.gz HWSNWBPDYBNTJT-SFHVURJKSA-N 2 1 314.473 2.936 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000635638197 430332659 /nfs/dbraw/zinc/33/26/59/430332659.db2.gz QZWNSKZQUGKYJV-JKSUJKDBSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000638411170 430334422 /nfs/dbraw/zinc/33/44/22/430334422.db2.gz LLGFROGSQQJDLZ-KONPQCLYSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+]CCC[C@@H]3CCO3)c2)CCO1 ZINC000638421481 430337027 /nfs/dbraw/zinc/33/70/27/430337027.db2.gz WNFBZIZMHVSTNI-QFBILLFUSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC[C@@H]3CCO3)c2)CCO1 ZINC000638421481 430337030 /nfs/dbraw/zinc/33/70/30/430337030.db2.gz WNFBZIZMHVSTNI-QFBILLFUSA-N 2 1 318.461 2.566 20 0 DFADMP COCC[C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000282282865 277555478 /nfs/dbraw/zinc/55/54/78/277555478.db2.gz RSRATOLPYKHVIZ-SJORKVTESA-N 2 1 314.433 2.871 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCCC23CC3)CC[N@H+](Cc2ccccc2)C1 ZINC000568274630 430342208 /nfs/dbraw/zinc/34/22/08/430342208.db2.gz FBZKFNIUNGJZOI-PKOBYXMFSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCCC23CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000568274630 430342212 /nfs/dbraw/zinc/34/22/12/430342212.db2.gz FBZKFNIUNGJZOI-PKOBYXMFSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCCC23CC3)CC[N@H+](Cc2ccccc2)C1 ZINC000568274628 430343018 /nfs/dbraw/zinc/34/30/18/430343018.db2.gz FBZKFNIUNGJZOI-IEBWSBKVSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCCC23CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000568274628 430343021 /nfs/dbraw/zinc/34/30/21/430343021.db2.gz FBZKFNIUNGJZOI-IEBWSBKVSA-N 2 1 300.446 2.546 20 0 DFADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000638447230 430344585 /nfs/dbraw/zinc/34/45/85/430344585.db2.gz HXWRDRVCDQQWHM-PBHICJAKSA-N 2 1 308.491 2.975 20 0 DFADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000638447230 430344588 /nfs/dbraw/zinc/34/45/88/430344588.db2.gz HXWRDRVCDQQWHM-PBHICJAKSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@H](O)C[N@H+](Cc1ccccc1)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000582899480 430345754 /nfs/dbraw/zinc/34/57/54/430345754.db2.gz PHQXMHCGVAWRHN-YJBOKZPZSA-N 2 1 316.420 2.751 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cccc3Cl)CC1(C)C ZINC000568351106 430347110 /nfs/dbraw/zinc/34/71/10/430347110.db2.gz ODSBKECODKUPIH-QGZVFWFLSA-N 2 1 321.896 2.943 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H](CC(C)C)n1ccnc1 ZINC000635937398 430414930 /nfs/dbraw/zinc/41/49/30/430414930.db2.gz GGWJWIWHATYBOJ-HOTGVXAUSA-N 2 1 308.470 2.707 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547733018 430416789 /nfs/dbraw/zinc/41/67/89/430416789.db2.gz KFQXNSWUVACRQX-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547733018 430416791 /nfs/dbraw/zinc/41/67/91/430416791.db2.gz KFQXNSWUVACRQX-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547733018 430416794 /nfs/dbraw/zinc/41/67/94/430416794.db2.gz KFQXNSWUVACRQX-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000638479252 430354163 /nfs/dbraw/zinc/35/41/63/430354163.db2.gz GBMXLLCAJIGWMM-UHFFFAOYSA-N 2 1 314.832 2.804 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000583123669 430365667 /nfs/dbraw/zinc/36/56/67/430365667.db2.gz SFKRRVDQQIHIJI-KYHPRHEASA-N 2 1 302.466 2.663 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000583123669 430365669 /nfs/dbraw/zinc/36/56/69/430365669.db2.gz SFKRRVDQQIHIJI-KYHPRHEASA-N 2 1 302.466 2.663 20 0 DFADMP c1cnn(C2CC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)c1 ZINC000638521780 430367338 /nfs/dbraw/zinc/36/73/38/430367338.db2.gz OUNKBOQUFJWJII-HDYDNRTBSA-N 2 1 324.472 2.741 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c[nH]c3ncncc23)c1 ZINC000638564244 430376690 /nfs/dbraw/zinc/37/66/90/430376690.db2.gz XDAIBDUJKGWJBZ-UHFFFAOYSA-N 2 1 309.417 2.651 20 0 DFADMP C[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000635787422 430377669 /nfs/dbraw/zinc/37/76/69/430377669.db2.gz MVQNVGYSKDVEBD-HOTGVXAUSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000635787422 430377674 /nfs/dbraw/zinc/37/76/74/430377674.db2.gz MVQNVGYSKDVEBD-HOTGVXAUSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000635787422 430377678 /nfs/dbraw/zinc/37/76/78/430377678.db2.gz MVQNVGYSKDVEBD-HOTGVXAUSA-N 2 1 323.525 2.734 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)Cc1ccccc1 ZINC000638566785 430378290 /nfs/dbraw/zinc/37/82/90/430378290.db2.gz QNBPYVYDEKYWEH-OALUTQOASA-N 2 1 304.478 2.954 20 0 DFADMP CC1=C(C)C[C@H]([C@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000638570843 430378588 /nfs/dbraw/zinc/37/85/88/430378588.db2.gz HRVBDHCFBUMRTK-RCCFBDPRSA-N 2 1 321.509 2.688 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000638571977 430380039 /nfs/dbraw/zinc/38/00/39/430380039.db2.gz CLQOWMMOCCFLPI-ZWKOTPCHSA-N 2 1 317.477 2.787 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000568770011 430392591 /nfs/dbraw/zinc/39/25/91/430392591.db2.gz ZPTOHBKMNUKPLZ-QLIIJSOBSA-N 2 1 314.473 2.922 20 0 DFADMP CO[C@H](C[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000638725669 430418218 /nfs/dbraw/zinc/41/82/18/430418218.db2.gz HEIRFMXWRIYNLX-QXAKKESOSA-N 2 1 320.477 2.538 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000568894382 430404611 /nfs/dbraw/zinc/40/46/11/430404611.db2.gz KTMZPZJSTXDLPM-QGZVFWFLSA-N 2 1 317.477 2.572 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641807839 430480720 /nfs/dbraw/zinc/48/07/20/430480720.db2.gz SFESMDDMEJAPAR-IACUBPJLSA-N 2 1 323.868 2.999 20 0 DFADMP CC(C)(CO)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638790433 430434694 /nfs/dbraw/zinc/43/46/94/430434694.db2.gz LMCZURSRVXKWOY-WMZOPIPTSA-N 2 1 302.462 2.963 20 0 DFADMP CC(C)(CO)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638790433 430434698 /nfs/dbraw/zinc/43/46/98/430434698.db2.gz LMCZURSRVXKWOY-WMZOPIPTSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@]2(C)CCC[NH2+]2)CC1 ZINC000583937176 430442517 /nfs/dbraw/zinc/44/25/17/430442517.db2.gz CENJTQFNFHLCCM-APWZRJJASA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCC[C@H](C)C1 ZINC000548061033 430442903 /nfs/dbraw/zinc/44/29/03/430442903.db2.gz PFVSOGDKBFHUOX-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@@H+]1CCC[C@H](C)C1 ZINC000548061033 430442909 /nfs/dbraw/zinc/44/29/09/430442909.db2.gz PFVSOGDKBFHUOX-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](CNC(=O)CC[NH+](C)C1CCCCC1)[N@H+]1CCC[C@H](C)C1 ZINC000548061033 430442910 /nfs/dbraw/zinc/44/29/10/430442910.db2.gz PFVSOGDKBFHUOX-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548061407 430443881 /nfs/dbraw/zinc/44/38/81/430443881.db2.gz ULSQHDZGZPZPFW-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548061407 430443885 /nfs/dbraw/zinc/44/38/85/430443885.db2.gz ULSQHDZGZPZPFW-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061407 430443891 /nfs/dbraw/zinc/44/38/91/430443891.db2.gz ULSQHDZGZPZPFW-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP CCn1cc(C[NH2+]CCn2cc[nH+]c2C)c(-c2ccccc2)n1 ZINC000641712121 430450983 /nfs/dbraw/zinc/45/09/83/430450983.db2.gz JDSMQDOLXDQKTD-UHFFFAOYSA-N 2 1 309.417 2.865 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2N)CC[N@@H+]1Cc1ccccc1 ZINC000641734095 430455492 /nfs/dbraw/zinc/45/54/92/430455492.db2.gz ZNRFEUMMJYHYGS-YJBOKZPZSA-N 2 1 310.445 2.807 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccncc2N)CC[N@H+]1Cc1ccccc1 ZINC000641734095 430455498 /nfs/dbraw/zinc/45/54/98/430455498.db2.gz ZNRFEUMMJYHYGS-YJBOKZPZSA-N 2 1 310.445 2.807 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1N ZINC000641733974 430455649 /nfs/dbraw/zinc/45/56/49/430455649.db2.gz WEYWFWNOOUIPOW-HNAYVOBHSA-N 2 1 310.445 2.664 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccncc1N ZINC000641733974 430455652 /nfs/dbraw/zinc/45/56/52/430455652.db2.gz WEYWFWNOOUIPOW-HNAYVOBHSA-N 2 1 310.445 2.664 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000584063988 430457006 /nfs/dbraw/zinc/45/70/06/430457006.db2.gz KKMHNGBKZGONMB-PKOBYXMFSA-N 2 1 301.478 2.819 20 0 DFADMP CO[C@@H](C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)CC(C)C ZINC000638873096 430464415 /nfs/dbraw/zinc/46/44/15/430464415.db2.gz CNVHDEGXDLZGKM-QGZVFWFLSA-N 2 1 320.481 2.713 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@@H]1CCCn2ccnc21)C1CCCCC1 ZINC000548392828 430470133 /nfs/dbraw/zinc/47/01/33/430470133.db2.gz HDRVJIRHEQJMEQ-HNNXBMFYSA-N 2 1 318.465 2.531 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H](O)C(C)(C)C)CC2)oc1C ZINC000584227233 430471074 /nfs/dbraw/zinc/47/10/74/430471074.db2.gz LBDYBXMCOVAHSQ-MRXNPFEDSA-N 2 1 323.481 2.500 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641797551 430476122 /nfs/dbraw/zinc/47/61/22/430476122.db2.gz FIWRHRMQFJVTQQ-FUNVUKJBSA-N 2 1 310.344 2.723 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000641797551 430476125 /nfs/dbraw/zinc/47/61/25/430476125.db2.gz FIWRHRMQFJVTQQ-FUNVUKJBSA-N 2 1 310.344 2.723 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569684631 430477442 /nfs/dbraw/zinc/47/74/42/430477442.db2.gz QPEXWIPGUJZWTN-OLZOCXBDSA-N 2 1 317.355 2.772 20 0 DFADMP CC[C@H](NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000641804919 430478725 /nfs/dbraw/zinc/47/87/25/430478725.db2.gz MFIBJYUEZNWODA-ZNMIVQPWSA-N 2 1 323.868 2.623 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000641805167 430479168 /nfs/dbraw/zinc/47/91/68/430479168.db2.gz MOLPBJJBDZYDCX-ZEGGKSINSA-N 2 1 313.804 2.522 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000641807825 430480042 /nfs/dbraw/zinc/48/00/42/430480042.db2.gz SBMDAWYBMGBBCC-ZEGGKSINSA-N 2 1 313.804 2.522 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641807842 430480309 /nfs/dbraw/zinc/48/03/09/430480309.db2.gz SFESMDDMEJAPAR-YUTCNCBUSA-N 2 1 323.868 2.999 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641808954 430480330 /nfs/dbraw/zinc/48/03/30/430480330.db2.gz VDAQJDAOBIIOPB-GDLCADMTSA-N 2 1 309.841 2.691 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CCCNC(=O)C2)cc1 ZINC000638768758 430429041 /nfs/dbraw/zinc/42/90/41/430429041.db2.gz FHJAUKGLLNXSKC-XJKSGUPXSA-N 2 1 312.417 2.500 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)C[C@H]3CC[N@@H+](C)C3)ccc21 ZINC000635997362 430433064 /nfs/dbraw/zinc/43/30/64/430433064.db2.gz UTTCSUOACMCFIR-DYVFJYSZSA-N 2 1 301.434 2.516 20 0 DFADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000638972094 430484635 /nfs/dbraw/zinc/48/46/35/430484635.db2.gz SMQHARIZTSKEQA-CHWSQXEVSA-N 2 1 309.479 2.894 20 0 DFADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000638972094 430484641 /nfs/dbraw/zinc/48/46/41/430484641.db2.gz SMQHARIZTSKEQA-CHWSQXEVSA-N 2 1 309.479 2.894 20 0 DFADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)s1 ZINC000638972101 430485145 /nfs/dbraw/zinc/48/51/45/430485145.db2.gz SMQHARIZTSKEQA-OLZOCXBDSA-N 2 1 309.479 2.894 20 0 DFADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)s1 ZINC000638972101 430485147 /nfs/dbraw/zinc/48/51/47/430485147.db2.gz SMQHARIZTSKEQA-OLZOCXBDSA-N 2 1 309.479 2.894 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CS1 ZINC000638971286 430485315 /nfs/dbraw/zinc/48/53/15/430485315.db2.gz QWDWLTQQVNRVFS-FHLIZLRMSA-N 2 1 320.502 2.627 20 0 DFADMP COC[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000638973164 430485358 /nfs/dbraw/zinc/48/53/58/430485358.db2.gz XZUMQGOZKFXJFT-YTQUADARSA-N 2 1 318.461 2.606 20 0 DFADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000638973164 430485361 /nfs/dbraw/zinc/48/53/61/430485361.db2.gz XZUMQGOZKFXJFT-YTQUADARSA-N 2 1 318.461 2.606 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000569832405 430490513 /nfs/dbraw/zinc/49/05/13/430490513.db2.gz YAGKELRFMASNDV-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000569832405 430490518 /nfs/dbraw/zinc/49/05/18/430490518.db2.gz YAGKELRFMASNDV-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000569832405 430490520 /nfs/dbraw/zinc/49/05/20/430490520.db2.gz YAGKELRFMASNDV-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548716639 430493735 /nfs/dbraw/zinc/49/37/35/430493735.db2.gz QMOPNOZQSLINMU-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548716639 430493742 /nfs/dbraw/zinc/49/37/42/430493742.db2.gz QMOPNOZQSLINMU-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@H]1C[NH+]2CCC[C@@H]2CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548716639 430493746 /nfs/dbraw/zinc/49/37/46/430493746.db2.gz QMOPNOZQSLINMU-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000548719915 430494884 /nfs/dbraw/zinc/49/48/84/430494884.db2.gz TWCFTKWVQFXACP-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000548719915 430494888 /nfs/dbraw/zinc/49/48/88/430494888.db2.gz TWCFTKWVQFXACP-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000548719915 430494893 /nfs/dbraw/zinc/49/48/93/430494893.db2.gz TWCFTKWVQFXACP-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H](CC[NH2+]Cc1cccn(C(F)F)c1=O)[NH+]1CCCCC1 ZINC000639036893 430498067 /nfs/dbraw/zinc/49/80/67/430498067.db2.gz CYRIVXPGRBMGGP-ZDUSSCGKSA-N 2 1 313.392 2.598 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCC[N@@H+](C)C3)s2)cn1 ZINC000548872276 430506527 /nfs/dbraw/zinc/50/65/27/430506527.db2.gz OTJRTKYSNMDDGO-CYBMUJFWSA-N 2 1 304.463 2.580 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3ccc(=O)[nH]c3)C1)CCCC2 ZINC000639076203 430512407 /nfs/dbraw/zinc/51/24/07/430512407.db2.gz OCXRTPQVVQWYBU-OAHLLOKOSA-N 2 1 312.417 2.618 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3ccc(=O)[nH]c3)C1)CCCC2 ZINC000639076203 430512410 /nfs/dbraw/zinc/51/24/10/430512410.db2.gz OCXRTPQVVQWYBU-OAHLLOKOSA-N 2 1 312.417 2.618 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCC[C@H]3CCO3)C1)CCCC2 ZINC000639077407 430514014 /nfs/dbraw/zinc/51/40/14/430514014.db2.gz WKUMDZRZFBEOTI-HOTGVXAUSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCC[C@H]3CCO3)C1)CCCC2 ZINC000639077407 430514017 /nfs/dbraw/zinc/51/40/17/430514017.db2.gz WKUMDZRZFBEOTI-HOTGVXAUSA-N 2 1 303.450 2.886 20 0 DFADMP CO[C@H](C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)CC(C)C ZINC000642685559 430524842 /nfs/dbraw/zinc/52/48/42/430524842.db2.gz LFNASNJSHATCOY-IRXDYDNUSA-N 2 1 320.481 2.713 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639105687 430525676 /nfs/dbraw/zinc/52/56/76/430525676.db2.gz USRLIWXOJPUFON-ZOBUZTSGSA-N 2 1 324.415 2.960 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639105687 430525679 /nfs/dbraw/zinc/52/56/79/430525679.db2.gz USRLIWXOJPUFON-ZOBUZTSGSA-N 2 1 324.415 2.960 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325405 430533451 /nfs/dbraw/zinc/53/34/51/430533451.db2.gz WTGOIALFYZLSNH-UWWQBHOKSA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325405 430533453 /nfs/dbraw/zinc/53/34/53/430533453.db2.gz WTGOIALFYZLSNH-UWWQBHOKSA-N 2 1 306.425 2.507 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000639133000 430537407 /nfs/dbraw/zinc/53/74/07/430537407.db2.gz FZXYALXXNRKXGI-JFIYKMOQSA-N 2 1 321.509 2.820 20 0 DFADMP O=C(CCN[C@H]1CC[N@H+]2CCCC[C@H]12)Nc1cccc(Cl)c1 ZINC000570391242 430539818 /nfs/dbraw/zinc/53/98/18/430539818.db2.gz PLHSMIZOOAFJEG-JKSUJKDBSA-N 2 1 321.852 2.885 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)Nc1cccc(Cl)c1 ZINC000570391242 430539827 /nfs/dbraw/zinc/53/98/27/430539827.db2.gz PLHSMIZOOAFJEG-JKSUJKDBSA-N 2 1 321.852 2.885 20 0 DFADMP Cc1ncc([C@@H](C)[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177353 430556334 /nfs/dbraw/zinc/55/63/34/430556334.db2.gz SHGPUKJZZBTCEM-RHSMWYFYSA-N 2 1 302.466 2.818 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccnn3CC3CCC3)C2)CC1 ZINC000639176799 430556795 /nfs/dbraw/zinc/55/67/95/430556795.db2.gz LAEHOYABIMKXPO-SFHVURJKSA-N 2 1 316.493 2.847 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639177771 430557608 /nfs/dbraw/zinc/55/76/08/430557608.db2.gz WTNBWQMHHDFPMV-WOJBJXKFSA-N 2 1 316.489 2.908 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)c1)O[C@H](C)C2 ZINC000551430644 430557624 /nfs/dbraw/zinc/55/76/24/430557624.db2.gz GJZKTLIXMOIJMN-CABCVRRESA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)c1)O[C@H](C)C2 ZINC000551430644 430557626 /nfs/dbraw/zinc/55/76/26/430557626.db2.gz GJZKTLIXMOIJMN-CABCVRRESA-N 2 1 318.461 2.839 20 0 DFADMP COc1nc2ccccc2cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000571088129 430601343 /nfs/dbraw/zinc/60/13/43/430601343.db2.gz MBBGPXOYHZPSOQ-USXIJHARSA-N 2 1 311.429 2.803 20 0 DFADMP CC(C)[NH2+]CCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000570725289 430570942 /nfs/dbraw/zinc/57/09/42/430570942.db2.gz RRUBFCYEJWVCRF-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794235 430576578 /nfs/dbraw/zinc/57/65/78/430576578.db2.gz CUDHMLUGHCOQSX-QAPCUYQASA-N 2 1 302.462 2.844 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794235 430576584 /nfs/dbraw/zinc/57/65/84/430576584.db2.gz CUDHMLUGHCOQSX-QAPCUYQASA-N 2 1 302.462 2.844 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)c(C)c1OC ZINC000552065555 430583431 /nfs/dbraw/zinc/58/34/31/430583431.db2.gz FFFALBIXSLUSKM-CYBMUJFWSA-N 2 1 317.433 2.509 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)s1 ZINC000570920364 430588592 /nfs/dbraw/zinc/58/85/92/430588592.db2.gz ITNNRDQULSTJEZ-LLVKDONJSA-N 2 1 319.478 2.746 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCCC[NH2+]2)CC1 ZINC000570931098 430590396 /nfs/dbraw/zinc/59/03/96/430590396.db2.gz DDNYHRYQDZRNLZ-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000552247703 430592756 /nfs/dbraw/zinc/59/27/56/430592756.db2.gz XVRJBYHZGBUBGE-UIXUWTQFSA-N 2 1 313.489 2.900 20 0 DFADMP CO[C@](C)(C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000639285910 430598179 /nfs/dbraw/zinc/59/81/79/430598179.db2.gz LODIZGUIBVEZQP-NZSAHSFTSA-N 2 1 302.462 2.737 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000571042378 430599216 /nfs/dbraw/zinc/59/92/16/430599216.db2.gz BGSVRPOCSBYGQH-OPXCAZNSSA-N 2 1 315.461 2.910 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000571042378 430599218 /nfs/dbraw/zinc/59/92/18/430599218.db2.gz BGSVRPOCSBYGQH-OPXCAZNSSA-N 2 1 315.461 2.910 20 0 DFADMP C(C[N@@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)[C@H]1CCC[NH2+]C1 ZINC000643057524 430546158 /nfs/dbraw/zinc/54/61/58/430546158.db2.gz NGMZLWDOHKCLOR-UKRRQHHQSA-N 2 1 304.438 2.864 20 0 DFADMP C(C[N@H+]1CCCC[C@@H]1c1noc(C2CC2)n1)[C@H]1CCC[NH2+]C1 ZINC000643057524 430546161 /nfs/dbraw/zinc/54/61/61/430546161.db2.gz NGMZLWDOHKCLOR-UKRRQHHQSA-N 2 1 304.438 2.864 20 0 DFADMP Cc1cc(C)c(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(C)n1 ZINC000639479040 430649852 /nfs/dbraw/zinc/64/98/52/430649852.db2.gz VNWAEZHRIMPADU-INIZCTEOSA-N 2 1 319.493 2.531 20 0 DFADMP CCOCCN1CC[N@H+](Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639478028 430650335 /nfs/dbraw/zinc/65/03/35/430650335.db2.gz GPJGFCFIDBEYPR-MRXNPFEDSA-N 2 1 305.466 2.549 20 0 DFADMP CCOCCN1CC[N@@H+](Cc2c(C)cc(C)nc2C)C[C@H]1C ZINC000639478028 430650337 /nfs/dbraw/zinc/65/03/37/430650337.db2.gz GPJGFCFIDBEYPR-MRXNPFEDSA-N 2 1 305.466 2.549 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNCc2ncc(Br)s2)C1 ZINC000571784334 430653127 /nfs/dbraw/zinc/65/31/27/430653127.db2.gz OIMXFXKBNSVKIX-JTQLQIEISA-N 2 1 318.284 2.726 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000554882142 430654677 /nfs/dbraw/zinc/65/46/77/430654677.db2.gz GUPWBRUXWUPOHS-CQSZACIVSA-N 3 1 321.431 2.723 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NCCCC(C)C)CC2)CC1 ZINC000552926767 430604958 /nfs/dbraw/zinc/60/49/58/430604958.db2.gz XRAOKPCMIBKMLW-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP CCOc1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)CCO2 ZINC000643482385 430607132 /nfs/dbraw/zinc/60/71/32/430607132.db2.gz DXFVZFAWIGZQTM-DVJFUJMWSA-N 2 1 302.418 2.782 20 0 DFADMP Cn1c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc2ccccc21 ZINC000639326773 430610651 /nfs/dbraw/zinc/61/06/51/430610651.db2.gz FRPADGNZFQJNBB-KRWDZBQOSA-N 2 1 313.445 2.521 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc3ncccc23)CCO1 ZINC000639335019 430612424 /nfs/dbraw/zinc/61/24/24/430612424.db2.gz LOHPRRNLNNHTSD-QGZVFWFLSA-N 2 1 313.445 2.777 20 0 DFADMP COCCC[C@@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643526953 430613079 /nfs/dbraw/zinc/61/30/79/430613079.db2.gz BKXYGUZRIGKWJI-SMDDNHRTSA-N 2 1 315.255 2.854 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000643522975 430613608 /nfs/dbraw/zinc/61/36/08/430613608.db2.gz RBOSNZDEGOCNQD-IEBWSBKVSA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC[C@@H]1CCOC1 ZINC000639359285 430620044 /nfs/dbraw/zinc/62/00/44/430620044.db2.gz KHVJXVREHPLMRM-BHIYHBOVSA-N 2 1 302.462 2.771 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC[C@H]1CCOC1 ZINC000639359287 430620647 /nfs/dbraw/zinc/62/06/47/430620647.db2.gz KHVJXVREHPLMRM-NEWSRXKRSA-N 2 1 302.462 2.771 20 0 DFADMP CC(C)c1cc(N2C[C@H]([NH+]3CCCC3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000553679683 430622121 /nfs/dbraw/zinc/62/21/21/430622121.db2.gz OSOYHBSXJFGSBE-HUUCEWRRSA-N 2 1 317.481 2.729 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000571571382 430637796 /nfs/dbraw/zinc/63/77/96/430637796.db2.gz BJGFUZSIXBIKMA-ZIFCJYIRSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000571571382 430637799 /nfs/dbraw/zinc/63/77/99/430637799.db2.gz BJGFUZSIXBIKMA-ZIFCJYIRSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000571571382 430637802 /nfs/dbraw/zinc/63/78/02/430637802.db2.gz BJGFUZSIXBIKMA-ZIFCJYIRSA-N 2 1 303.494 2.825 20 0 DFADMP COc1ccc(COCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000643895273 430640841 /nfs/dbraw/zinc/64/08/41/430640841.db2.gz BTBZBQGBANWOBF-INIZCTEOSA-N 2 1 318.461 2.676 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643973505 430645709 /nfs/dbraw/zinc/64/57/09/430645709.db2.gz KUWHHBKNKZYAIW-RTBURBONSA-N 3 1 317.477 2.521 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H](CCO)c1ccccc1 ZINC000571691235 430645722 /nfs/dbraw/zinc/64/57/22/430645722.db2.gz PGUVMXIMPLGYPC-FQEVSTJZSA-N 2 1 310.441 2.888 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)CCc1cccc2ccccc21 ZINC000571723499 430649031 /nfs/dbraw/zinc/64/90/31/430649031.db2.gz XEFIAJDRPAQVID-SFHVURJKSA-N 2 1 300.446 2.627 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)CCc1cccc2ccccc21 ZINC000571723499 430649033 /nfs/dbraw/zinc/64/90/33/430649033.db2.gz XEFIAJDRPAQVID-SFHVURJKSA-N 2 1 300.446 2.627 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C)CCc1cccc2ccccc21 ZINC000571723499 430649035 /nfs/dbraw/zinc/64/90/35/430649035.db2.gz XEFIAJDRPAQVID-SFHVURJKSA-N 2 1 300.446 2.627 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)CCc1cccc2ccccc21 ZINC000571723499 430649037 /nfs/dbraw/zinc/64/90/37/430649037.db2.gz XEFIAJDRPAQVID-SFHVURJKSA-N 2 1 300.446 2.627 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@@H]2CCO[C@@H]2C)C1 ZINC000639614796 430681180 /nfs/dbraw/zinc/68/11/80/430681180.db2.gz HCHIBZLHZZWUHZ-PMPSAXMXSA-N 2 1 323.506 2.630 20 0 DFADMP C[C@H]1OCC[C@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639614418 430681281 /nfs/dbraw/zinc/68/12/81/430681281.db2.gz CUUMBDHRNLQLSC-ZBFHGGJFSA-N 2 1 303.450 2.824 20 0 DFADMP Cc1ncc2c(n1)CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)C2 ZINC000572392064 430685507 /nfs/dbraw/zinc/68/55/07/430685507.db2.gz GXDVBQRTRJLVGV-NLWGTHIKSA-N 2 1 322.456 2.725 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1nc2c(s1)CCCC2 ZINC000572538899 430690050 /nfs/dbraw/zinc/69/00/50/430690050.db2.gz MRGHJZYKTQMWEH-UHFFFAOYSA-N 2 1 304.463 2.820 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1nc2c(s1)CCCC2 ZINC000572538899 430690052 /nfs/dbraw/zinc/69/00/52/430690052.db2.gz MRGHJZYKTQMWEH-UHFFFAOYSA-N 2 1 304.463 2.820 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000572512063 430689160 /nfs/dbraw/zinc/68/91/60/430689160.db2.gz CJYFIAYCZSCXDC-SLFFLAALSA-N 2 1 310.441 2.740 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1ccc2ccccc2c1)C1CC1 ZINC000572512063 430689162 /nfs/dbraw/zinc/68/91/62/430689162.db2.gz CJYFIAYCZSCXDC-SLFFLAALSA-N 2 1 310.441 2.740 20 0 DFADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247174655 278286824 /nfs/dbraw/zinc/28/68/24/278286824.db2.gz YSFBCRQXCGFIOV-GJYPPUQNSA-N 2 1 301.478 2.506 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccnn1-c1ccccc1 ZINC000369077886 278376303 /nfs/dbraw/zinc/37/63/03/278376303.db2.gz NILHBXWVSWQNRH-HUUCEWRRSA-N 2 1 307.401 2.734 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccnn1-c1ccccc1 ZINC000369077876 278387837 /nfs/dbraw/zinc/38/78/37/278387837.db2.gz NILHBXWVSWQNRH-CABCVRRESA-N 2 1 307.401 2.734 20 0 DFADMP CC(C)(C)c1ncc(CNC2CC[NH+]([C@H]3CCOC3)CC2)s1 ZINC000657751954 430725242 /nfs/dbraw/zinc/72/52/42/430725242.db2.gz WUELXGXWNKPACH-AWEZNQCLSA-N 2 1 323.506 2.784 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657752356 430725383 /nfs/dbraw/zinc/72/53/83/430725383.db2.gz YUXWQOIFCJUYHR-ZMXQLYDGSA-N 2 1 304.409 2.682 20 0 DFADMP Cc1ccc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)[nH]c2c1 ZINC000657752184 430725912 /nfs/dbraw/zinc/72/59/12/430725912.db2.gz MVAMZMVORZKFPD-GOSISDBHSA-N 2 1 313.445 2.819 20 0 DFADMP Fc1ccc(Cl)cc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657751333 430726239 /nfs/dbraw/zinc/72/62/39/430726239.db2.gz QFRYOFVZKLUNMU-OAHLLOKOSA-N 2 1 312.816 2.822 20 0 DFADMP Clc1cscc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657751019 430726450 /nfs/dbraw/zinc/72/64/50/430726450.db2.gz NBORECVWLAUODZ-ZDUSSCGKSA-N 2 1 300.855 2.744 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(C)(C)C1CC1 ZINC000644654795 430780985 /nfs/dbraw/zinc/78/09/85/430780985.db2.gz DCPYOCLWQMFSSH-SFHVURJKSA-N 2 1 304.478 2.895 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC(C)(C)C1CC1 ZINC000644654795 430780990 /nfs/dbraw/zinc/78/09/90/430780990.db2.gz DCPYOCLWQMFSSH-SFHVURJKSA-N 2 1 304.478 2.895 20 0 DFADMP COC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657774575 430731404 /nfs/dbraw/zinc/73/14/04/430731404.db2.gz ZSASIOYOVXPVBE-SJLPKXTDSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000644660096 430782883 /nfs/dbraw/zinc/78/28/83/430782883.db2.gz GSKFACQBJYAJOS-HZPDHXFCSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000644660096 430782889 /nfs/dbraw/zinc/78/28/89/430782889.db2.gz GSKFACQBJYAJOS-HZPDHXFCSA-N 2 1 312.404 2.504 20 0 DFADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657997277 430782974 /nfs/dbraw/zinc/78/29/74/430782974.db2.gz ARMLHABBUZKWIM-ZWKOTPCHSA-N 2 1 310.445 2.830 20 0 DFADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000657833066 430748632 /nfs/dbraw/zinc/74/86/32/430748632.db2.gz MPNKETHXPHMTOF-QZTJIDSGSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657836559 430749734 /nfs/dbraw/zinc/74/97/34/430749734.db2.gz TVWIKBYONDLQLI-OAHLLOKOSA-N 2 1 316.449 2.506 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000644560714 430752364 /nfs/dbraw/zinc/75/23/64/430752364.db2.gz DLPMMXRYAOEPJF-UXHICEINSA-N 2 1 324.468 2.799 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCc2ccccc21 ZINC000644560714 430752371 /nfs/dbraw/zinc/75/23/71/430752371.db2.gz DLPMMXRYAOEPJF-UXHICEINSA-N 2 1 324.468 2.799 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2ccncc2s1 ZINC000657844607 430753612 /nfs/dbraw/zinc/75/36/12/430753612.db2.gz IILTWUKHKIUBAJ-CYBMUJFWSA-N 2 1 319.474 2.794 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc(-c2ccccc2)nn1C ZINC000651294222 430758670 /nfs/dbraw/zinc/75/86/70/430758670.db2.gz RCTUOFYYQXKMLZ-ZBFHGGJFSA-N 2 1 321.428 2.949 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000644602133 430767018 /nfs/dbraw/zinc/76/70/18/430767018.db2.gz KBNWCCFTRGWOMC-CVEARBPZSA-N 2 1 312.404 2.647 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCCC(F)(F)C1 ZINC000644602133 430767023 /nfs/dbraw/zinc/76/70/23/430767023.db2.gz KBNWCCFTRGWOMC-CVEARBPZSA-N 2 1 312.404 2.647 20 0 DFADMP Cc1ccsc1CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644613277 430769423 /nfs/dbraw/zinc/76/94/23/430769423.db2.gz UXIKMEKTUWYYDN-KRWDZBQOSA-N 2 1 318.486 2.682 20 0 DFADMP Cc1ccsc1CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644613277 430769430 /nfs/dbraw/zinc/76/94/30/430769430.db2.gz UXIKMEKTUWYYDN-KRWDZBQOSA-N 2 1 318.486 2.682 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000648406079 430775797 /nfs/dbraw/zinc/77/57/97/430775797.db2.gz PEXCVUNQVOARIS-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP O=C(CC[NH2+][C@@H]1CCc2[nH]cnc2C1)Nc1ccc(Cl)cc1 ZINC000644650814 430778639 /nfs/dbraw/zinc/77/86/39/430778639.db2.gz PNTRYYKTFXXAND-CYBMUJFWSA-N 2 1 318.808 2.539 20 0 DFADMP O=C(CC[NH2+][C@@H]1CCc2[nH]cnc2C1)Nc1cccc(Cl)c1 ZINC000644650854 430779531 /nfs/dbraw/zinc/77/95/31/430779531.db2.gz BLGOOYKLPLXSHQ-GFCCVEGCSA-N 2 1 318.808 2.539 20 0 DFADMP CCCC[C@@H](COC)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658138562 430823103 /nfs/dbraw/zinc/82/31/03/430823103.db2.gz JJWAYDRCSTURHE-OALUTQOASA-N 2 1 320.477 2.548 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CC4)cc2)C1 ZINC000658139310 430823635 /nfs/dbraw/zinc/82/36/35/430823635.db2.gz QNARDTOKSQPNMJ-ROUUACIJSA-N 2 1 300.446 2.676 20 0 DFADMP CCC(CC)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)SC ZINC000262033213 278587633 /nfs/dbraw/zinc/58/76/33/278587633.db2.gz XQZUHPQFPXUUFW-RRFJBIMHSA-N 2 1 300.512 2.655 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@H](C)C1 ZINC000658223401 430844925 /nfs/dbraw/zinc/84/49/25/430844925.db2.gz YZQAGBMKOIJMNQ-ILXRZTDVSA-N 2 1 304.425 2.758 20 0 DFADMP Cc1cc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c(C)cn1 ZINC000654932581 430845731 /nfs/dbraw/zinc/84/57/31/430845731.db2.gz CEUSKSLMBRLFBZ-KRWDZBQOSA-N 2 1 309.413 2.581 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651676553 430845972 /nfs/dbraw/zinc/84/59/72/430845972.db2.gz DUWCHRGGKBGWKB-UHFFFAOYSA-N 2 1 315.505 2.683 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000651694188 430851540 /nfs/dbraw/zinc/85/15/40/430851540.db2.gz UNQPHECDHXGBHL-HNNXBMFYSA-N 2 1 300.450 2.919 20 0 DFADMP Cc1c(C[NH3+])cccc1-c1ccccc1CN1CC[NH+](C)CC1 ZINC000665190499 430852254 /nfs/dbraw/zinc/85/22/54/430852254.db2.gz NKRTWRCRDTVCFQ-UHFFFAOYSA-N 2 1 309.457 2.868 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658255887 430855375 /nfs/dbraw/zinc/85/53/75/430855375.db2.gz WPOGAFQSEOMIHT-IRXDYDNUSA-N 2 1 324.509 2.813 20 0 DFADMP c1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)ccc2o1 ZINC000665238175 430862665 /nfs/dbraw/zinc/86/26/65/430862665.db2.gz SJCONCWEIXBEAN-BBWFWOEESA-N 2 1 300.402 2.680 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665235513 430863437 /nfs/dbraw/zinc/86/34/37/430863437.db2.gz WSDPRHOQUIQICN-YCPHGPKFSA-N 2 1 307.869 2.754 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253834 430870114 /nfs/dbraw/zinc/87/01/14/430870114.db2.gz ANVGTNVSJSKLGW-XMTFNYHQSA-N 2 1 306.425 2.818 20 0 DFADMP COCc1csc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000665263066 430874738 /nfs/dbraw/zinc/87/47/38/430874738.db2.gz FWCQPZAPBVUZGX-CXAGYDPISA-N 2 1 304.459 2.943 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@H]3CCC[C@H]([NH3+])C3)on2)cc1 ZINC000665262031 430875765 /nfs/dbraw/zinc/87/57/65/430875765.db2.gz RQCGBGGJIYJNPM-KBPBESRZSA-N 2 1 301.390 2.710 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000648742807 430877564 /nfs/dbraw/zinc/87/75/64/430877564.db2.gz SFZWLAJYJAPUPJ-HOTGVXAUSA-N 2 1 320.481 2.635 20 0 DFADMP FC1(F)CC12CCC([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CC2 ZINC000665274202 430878437 /nfs/dbraw/zinc/87/84/37/430878437.db2.gz LQKQBICZVMEWNI-RDRUIREHSA-N 2 1 314.420 2.701 20 0 DFADMP FC1(F)CC12CCC([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CC2 ZINC000665274204 430879816 /nfs/dbraw/zinc/87/98/16/430879816.db2.gz LQKQBICZVMEWNI-ZMUBYXEMSA-N 2 1 314.420 2.701 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000665280550 430881669 /nfs/dbraw/zinc/88/16/69/430881669.db2.gz FWPZACSWYDAQEK-IAGOWNOFSA-N 2 1 304.413 2.612 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283472 430884250 /nfs/dbraw/zinc/88/42/50/430884250.db2.gz OKBHXZDABYEOQX-ZWNOBZJWSA-N 2 1 302.340 2.905 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665286389 430884322 /nfs/dbraw/zinc/88/43/22/430884322.db2.gz KONUGKTXEGMMQD-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](C2CCC2)C1 ZINC000665286389 430884324 /nfs/dbraw/zinc/88/43/24/430884324.db2.gz KONUGKTXEGMMQD-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665286389 430884329 /nfs/dbraw/zinc/88/43/29/430884329.db2.gz KONUGKTXEGMMQD-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665286389 430884334 /nfs/dbraw/zinc/88/43/34/430884334.db2.gz KONUGKTXEGMMQD-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP OCC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000658355729 430885254 /nfs/dbraw/zinc/88/52/54/430885254.db2.gz JGYNCLVJVAUWGX-ZSDFWYKJSA-N 2 1 314.473 2.648 20 0 DFADMP c1ccc2c(c1)CC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658189933 430838783 /nfs/dbraw/zinc/83/87/83/430838783.db2.gz YOGBABHUBXHDMW-IEBWSBKVSA-N 2 1 300.446 2.907 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000648784072 430890906 /nfs/dbraw/zinc/89/09/06/430890906.db2.gz AZUZJYHFKXYYAQ-JKSUJKDBSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000648784072 430890913 /nfs/dbraw/zinc/89/09/13/430890913.db2.gz AZUZJYHFKXYYAQ-JKSUJKDBSA-N 2 1 320.481 2.777 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+][C@H]1CCc2ccccc2-n2ccnc21 ZINC000665299442 430891739 /nfs/dbraw/zinc/89/17/39/430891739.db2.gz NCNWDASNVFZMIN-OIISXLGYSA-N 2 1 310.445 2.837 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000651866533 430898856 /nfs/dbraw/zinc/89/88/56/430898856.db2.gz HZIRPVORNSXIDR-UHFFFAOYSA-N 2 1 314.477 2.999 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000651866533 430898860 /nfs/dbraw/zinc/89/88/60/430898860.db2.gz HZIRPVORNSXIDR-UHFFFAOYSA-N 2 1 314.477 2.999 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000648801798 430898932 /nfs/dbraw/zinc/89/89/32/430898932.db2.gz CYUDVZDZFNOVDP-HOTGVXAUSA-N 2 1 320.481 2.587 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@H](C)n2cc[nH+]c2CC)C1 ZINC000648801798 430898938 /nfs/dbraw/zinc/89/89/38/430898938.db2.gz CYUDVZDZFNOVDP-HOTGVXAUSA-N 2 1 320.481 2.587 20 0 DFADMP Cc1cc(Cl)cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)c1 ZINC000645154156 430918082 /nfs/dbraw/zinc/91/80/82/430918082.db2.gz BJIUSQVOCRAHFV-UHFFFAOYSA-N 2 1 309.885 2.766 20 0 DFADMP CCc1nccn1[C@H](C)CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000648885970 430926189 /nfs/dbraw/zinc/92/61/89/430926189.db2.gz ZDGIULBWFKFMIZ-HUUCEWRRSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000648885970 430926197 /nfs/dbraw/zinc/92/61/97/430926197.db2.gz ZDGIULBWFKFMIZ-HUUCEWRRSA-N 2 1 320.481 2.633 20 0 DFADMP CC[C@@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648934461 430941560 /nfs/dbraw/zinc/94/15/60/430941560.db2.gz BERXBLWXIFWGKX-WMZOPIPTSA-N 2 1 323.525 2.686 20 0 DFADMP CC[C@@H](CC(C)C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648934461 430941564 /nfs/dbraw/zinc/94/15/64/430941564.db2.gz BERXBLWXIFWGKX-WMZOPIPTSA-N 2 1 323.525 2.686 20 0 DFADMP c1cc(C[N@H+]2CCC3(COC3)C2)cc(C[NH+]2CCCCC2)c1 ZINC000662073005 430948146 /nfs/dbraw/zinc/94/81/46/430948146.db2.gz KNDFRMOLTJLKER-UHFFFAOYSA-N 2 1 300.446 2.895 20 0 DFADMP C[C@H](c1ccccc1Cl)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154424 430981406 /nfs/dbraw/zinc/98/14/06/430981406.db2.gz FDJLJRKHRXQGRD-UKRRQHHQSA-N 2 1 308.853 2.932 20 0 DFADMP CCCc1ccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000662154606 430981551 /nfs/dbraw/zinc/98/15/51/430981551.db2.gz XZZYIEUFBSUABB-LJQANCHMSA-N 2 1 302.462 2.670 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CC2CCC2)CC1 ZINC000662158792 430982448 /nfs/dbraw/zinc/98/24/48/430982448.db2.gz XIBUDZBSGHUFAB-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C12CCOCC2 ZINC000652221904 430992052 /nfs/dbraw/zinc/99/20/52/430992052.db2.gz ACBWZBBADXIMHX-DLBZAZTESA-N 2 1 312.498 2.528 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)[C@@]3(C)CCCO3)C2)nc(C)[nH+]1 ZINC000645433897 431001496 /nfs/dbraw/zinc/00/14/96/431001496.db2.gz GBPCOFAINKAARB-QILLFSRXSA-N 2 1 318.465 2.609 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000645250185 430952214 /nfs/dbraw/zinc/95/22/14/430952214.db2.gz AJBWUJIWSGUDLG-GBESFXJTSA-N 2 1 316.489 2.990 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000645250185 430952216 /nfs/dbraw/zinc/95/22/16/430952216.db2.gz AJBWUJIWSGUDLG-GBESFXJTSA-N 2 1 316.489 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000645250185 430952218 /nfs/dbraw/zinc/95/22/18/430952218.db2.gz AJBWUJIWSGUDLG-GBESFXJTSA-N 2 1 316.489 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@H]21 ZINC000645250185 430952221 /nfs/dbraw/zinc/95/22/21/430952221.db2.gz AJBWUJIWSGUDLG-GBESFXJTSA-N 2 1 316.489 2.990 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263606 431021906 /nfs/dbraw/zinc/02/19/06/431021906.db2.gz NMMYAUATRAAHGH-GOSISDBHSA-N 2 1 324.472 2.928 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@]3(CCCOC3)C1)C[NH2+]CC2 ZINC000652338164 431024647 /nfs/dbraw/zinc/02/46/47/431024647.db2.gz HGWQOKXFBCCEPZ-IBGZPJMESA-N 2 1 300.446 2.725 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000652345901 431025023 /nfs/dbraw/zinc/02/50/23/431025023.db2.gz ONUVWPDNCPVXHW-OTWHNJEPSA-N 2 1 302.462 2.838 20 0 DFADMP CC(C)c1ncc2c(n1)C[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000652337780 431025212 /nfs/dbraw/zinc/02/52/12/431025212.db2.gz KJRPLGYZTLQJRV-UHFFFAOYSA-N 2 1 322.456 2.804 20 0 DFADMP CC(C)c1ncc2c(n1)C[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000652337780 431025217 /nfs/dbraw/zinc/02/52/17/431025217.db2.gz KJRPLGYZTLQJRV-UHFFFAOYSA-N 2 1 322.456 2.804 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cccc(F)c3OC(F)F)C[C@H]21 ZINC000662266297 431025264 /nfs/dbraw/zinc/02/52/64/431025264.db2.gz LHQWYENBTVTQAT-MPKXVKKWSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cccc(F)c3OC(F)F)C[C@H]21 ZINC000662266297 431025268 /nfs/dbraw/zinc/02/52/68/431025268.db2.gz LHQWYENBTVTQAT-MPKXVKKWSA-N 2 1 314.351 2.986 20 0 DFADMP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)no1 ZINC000652350299 431026665 /nfs/dbraw/zinc/02/66/65/431026665.db2.gz QYHKTYAQYIVGAP-OFQRWUPVSA-N 2 1 321.465 2.690 20 0 DFADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)no1 ZINC000652350299 431026668 /nfs/dbraw/zinc/02/66/68/431026668.db2.gz QYHKTYAQYIVGAP-OFQRWUPVSA-N 2 1 321.465 2.690 20 0 DFADMP Cn1c[nH+]cc1CCCN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000662272231 431027285 /nfs/dbraw/zinc/02/72/85/431027285.db2.gz MGXIVMSVICAGRN-KRWDZBQOSA-N 2 1 318.852 2.653 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348589 431027412 /nfs/dbraw/zinc/02/74/12/431027412.db2.gz JBBXCATUBOVQDF-RMRDIRSESA-N 2 1 318.461 2.975 20 0 DFADMP CCCc1nc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000652348425 431027561 /nfs/dbraw/zinc/02/75/61/431027561.db2.gz DGRMUMSTEMKIDG-LZWOXQAQSA-N 2 1 323.506 2.814 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCOc3ccccc3)C2)C1 ZINC000652346815 431027682 /nfs/dbraw/zinc/02/76/82/431027682.db2.gz IPWQSRPWGNAIDG-ZHALLVOQSA-N 2 1 318.461 2.674 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@@H](OC(C)C)C2)cc1 ZINC000652353197 431029728 /nfs/dbraw/zinc/02/97/28/431029728.db2.gz OXNIYUXSERISFD-SJLPKXTDSA-N 2 1 306.450 2.627 20 0 DFADMP C[C@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)[C@H]1CC[NH3+] ZINC000652354932 431029883 /nfs/dbraw/zinc/02/98/83/431029883.db2.gz KRWQFQZQLSIICU-RDJZCZTQSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)[C@H]1CC[NH3+] ZINC000652354932 431029887 /nfs/dbraw/zinc/02/98/87/431029887.db2.gz KRWQFQZQLSIICU-RDJZCZTQSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1CC[NH3+] ZINC000652355222 431030433 /nfs/dbraw/zinc/03/04/33/431030433.db2.gz RMDBWMSLUBJTDW-RDTXWAMCSA-N 2 1 316.424 2.961 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1CC[NH3+] ZINC000652355222 431030437 /nfs/dbraw/zinc/03/04/37/431030437.db2.gz RMDBWMSLUBJTDW-RDTXWAMCSA-N 2 1 316.424 2.961 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652353828 431030705 /nfs/dbraw/zinc/03/07/05/431030705.db2.gz FBDBXYMFWXRNSX-YOEHRIQHSA-N 2 1 303.450 2.637 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652353828 431030717 /nfs/dbraw/zinc/03/07/17/431030717.db2.gz FBDBXYMFWXRNSX-YOEHRIQHSA-N 2 1 303.450 2.637 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@@H]1CC[NH3+] ZINC000652354543 431031162 /nfs/dbraw/zinc/03/11/62/431031162.db2.gz BQDVZHZTLFRIPQ-KBXCAEBGSA-N 2 1 316.424 2.961 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@@H]1CC[NH3+] ZINC000652354543 431031165 /nfs/dbraw/zinc/03/11/65/431031165.db2.gz BQDVZHZTLFRIPQ-KBXCAEBGSA-N 2 1 316.424 2.961 20 0 DFADMP c1ccc2c(CC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)nsc2c1 ZINC000662277272 431031250 /nfs/dbraw/zinc/03/12/50/431031250.db2.gz PBHVKDDTRUOEIO-KRWDZBQOSA-N 2 1 301.459 2.914 20 0 DFADMP c1ccc2c(CC[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)nsc2c1 ZINC000662277272 431031256 /nfs/dbraw/zinc/03/12/56/431031256.db2.gz PBHVKDDTRUOEIO-KRWDZBQOSA-N 2 1 301.459 2.914 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccccc2F)C1 ZINC000652360375 431032336 /nfs/dbraw/zinc/03/23/36/431032336.db2.gz GHQGYXWWULHCAT-HFTRVMKXSA-N 2 1 322.424 2.565 20 0 DFADMP Cc1cc(C2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)n[nH]1 ZINC000662280323 431032602 /nfs/dbraw/zinc/03/26/02/431032602.db2.gz OAVFFAVYWXVMQZ-UHFFFAOYSA-N 2 1 310.445 2.743 20 0 DFADMP Cn1nccc1[C@@H]1CCCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279668 431033153 /nfs/dbraw/zinc/03/31/53/431033153.db2.gz AUMFVVOXYACANV-IBGZPJMESA-N 2 1 310.445 2.793 20 0 DFADMP c1ccc(CCC[C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662283564 431033774 /nfs/dbraw/zinc/03/37/74/431033774.db2.gz AONOQTKDXBDXPW-MOPGFXCFSA-N 2 1 314.473 2.995 20 0 DFADMP c1ccc(COCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662292185 431036122 /nfs/dbraw/zinc/03/61/22/431036122.db2.gz BXGVCFBXAGKKHK-IBGZPJMESA-N 2 1 302.462 2.915 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662285174 431036172 /nfs/dbraw/zinc/03/61/72/431036172.db2.gz YXXJPCLDEGSTJN-UHFFFAOYSA-N 2 1 302.340 2.988 20 0 DFADMP CC(C)c1ccc2c(c1)C[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)CC2 ZINC000662298656 431037918 /nfs/dbraw/zinc/03/79/18/431037918.db2.gz DRUGZAJUHKODJC-SFHVURJKSA-N 2 1 300.446 2.689 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662299024 431038354 /nfs/dbraw/zinc/03/83/54/431038354.db2.gz ZHULQVIMRDDHQP-GOSISDBHSA-N 2 1 315.461 2.857 20 0 DFADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662310240 431041634 /nfs/dbraw/zinc/04/16/34/431041634.db2.gz IMWHYWHOXSWXFL-YOEHRIQHSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc(F)c2)[C@@H]1CCC[NH3+] ZINC000662313081 431042201 /nfs/dbraw/zinc/04/22/01/431042201.db2.gz INIBDHKYRWPYFX-CZUORRHYSA-N 2 1 307.413 2.604 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313004 431042472 /nfs/dbraw/zinc/04/24/72/431042472.db2.gz DYIVRDGWQSPMJI-WCXIOVBPSA-N 2 1 309.498 2.615 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2nc(CC(F)(F)F)no2)[C@@H]1CCC[NH3+] ZINC000662315053 431043714 /nfs/dbraw/zinc/04/37/14/431043714.db2.gz SCXXVVDUEBOOCZ-GHMZBOCLSA-N 2 1 320.359 2.514 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313585 431043797 /nfs/dbraw/zinc/04/37/97/431043797.db2.gz IZZSBBIRSBHGKF-BSDSXHPESA-N 2 1 323.525 2.863 20 0 DFADMP COc1ccc([C@H](C)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325065 431045887 /nfs/dbraw/zinc/04/58/87/431045887.db2.gz BLWLLUGAZBGMOF-APWZRJJASA-N 2 1 320.477 2.841 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3c(c2)CCC3)CCO1 ZINC000662319373 431046685 /nfs/dbraw/zinc/04/66/85/431046685.db2.gz IJOFRRVTNAUZDQ-IBGZPJMESA-N 2 1 302.462 2.718 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3c(c2)CCC3)CCO1 ZINC000662319373 431046690 /nfs/dbraw/zinc/04/66/90/431046690.db2.gz IJOFRRVTNAUZDQ-IBGZPJMESA-N 2 1 302.462 2.718 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CCO1 ZINC000662325749 431047740 /nfs/dbraw/zinc/04/77/40/431047740.db2.gz JKIXERGVCCFAEB-CABCVRRESA-N 2 1 304.425 2.855 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3C[C@H]4C[C@H]4[NH2+]3)cc2)C1 ZINC000649288266 431057342 /nfs/dbraw/zinc/05/73/42/431057342.db2.gz GYNBRDJBDXHTLY-NZPGVSJUSA-N 2 1 313.445 2.607 20 0 DFADMP CC(C)[C@@H]([NH3+])CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000649312949 431065313 /nfs/dbraw/zinc/06/53/13/431065313.db2.gz OTPBEZYPSMAETD-HNNXBMFYSA-N 2 1 321.490 2.547 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000662389732 431068206 /nfs/dbraw/zinc/06/82/06/431068206.db2.gz XMIPIJRTBIPMRY-MRXNPFEDSA-N 2 1 314.433 2.991 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000662389224 431068286 /nfs/dbraw/zinc/06/82/86/431068286.db2.gz WDIUIOUEHUKNDG-WMLDXEAASA-N 2 1 303.450 2.855 20 0 DFADMP C[N@H+](Cc1ccc(C(C)(C)C)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249068 431012403 /nfs/dbraw/zinc/01/24/03/431012403.db2.gz ILOMPSZKNLRDNB-KRWDZBQOSA-N 2 1 302.462 2.937 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000652300574 431014524 /nfs/dbraw/zinc/01/45/24/431014524.db2.gz HBIJYNNXSVQCBM-INDMIFKZSA-N 2 1 320.452 2.740 20 0 DFADMP c1ccc([C@@H]2COCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662257932 431017902 /nfs/dbraw/zinc/01/79/02/431017902.db2.gz SWCMHJKBKHKQKK-FQEVSTJZSA-N 2 1 308.425 2.906 20 0 DFADMP c1ccc([C@@H]2COCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662257932 431017906 /nfs/dbraw/zinc/01/79/06/431017906.db2.gz SWCMHJKBKHKQKK-FQEVSTJZSA-N 2 1 308.425 2.906 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1cccc(F)c1 ZINC000662256234 431018191 /nfs/dbraw/zinc/01/81/91/431018191.db2.gz HQQSCZHHDJIFFB-COXVUDFISA-N 2 1 304.409 2.730 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649334938 431069105 /nfs/dbraw/zinc/06/91/05/431069105.db2.gz XMYQLXVNIUJSJF-CVEARBPZSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256598 431018893 /nfs/dbraw/zinc/01/88/93/431018893.db2.gz WSQBBNGYUKYCSR-XOKHGSTOSA-N 2 1 304.409 2.730 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649334938 431069111 /nfs/dbraw/zinc/06/91/11/431069111.db2.gz XMYQLXVNIUJSJF-CVEARBPZSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CS1 ZINC000655750981 431112432 /nfs/dbraw/zinc/11/24/32/431112432.db2.gz ILEPVSCJTNOKLH-FHLIZLRMSA-N 2 1 320.502 2.627 20 0 DFADMP CCO[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655761977 431123895 /nfs/dbraw/zinc/12/38/95/431123895.db2.gz SNPLJDXMMQOENP-RBUKOAKNSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000655683896 431082086 /nfs/dbraw/zinc/08/20/86/431082086.db2.gz XCPUSCKPXHDIPI-QAPCUYQASA-N 2 1 320.502 2.893 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649378496 431082594 /nfs/dbraw/zinc/08/25/94/431082594.db2.gz AGEWSGUWOLRADC-SJLPKXTDSA-N 2 1 323.525 2.863 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2([NH3+])CCC2)CC1 ZINC000649378071 431082682 /nfs/dbraw/zinc/08/26/82/431082682.db2.gz MIWDCQNCEAGRDW-MRXNPFEDSA-N 2 1 321.509 2.761 20 0 DFADMP Cc1cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)ccc1F ZINC000665984117 431084196 /nfs/dbraw/zinc/08/41/96/431084196.db2.gz LLYFUSJEWDDAHF-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)ccc1F ZINC000665984117 431084199 /nfs/dbraw/zinc/08/41/99/431084199.db2.gz LLYFUSJEWDDAHF-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000662447900 431084193 /nfs/dbraw/zinc/08/41/93/431084193.db2.gz GJXWARHVCWSSDX-HOTGVXAUSA-N 2 1 320.481 2.620 20 0 DFADMP Fc1cccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655695376 431085220 /nfs/dbraw/zinc/08/52/20/431085220.db2.gz KPSIHRWXOXOARB-GOSISDBHSA-N 2 1 306.425 2.601 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662457825 431086849 /nfs/dbraw/zinc/08/68/49/431086849.db2.gz SMKSPIOBYHYKCR-QGZVFWFLSA-N 2 1 317.477 2.527 20 0 DFADMP C(COC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655702020 431089032 /nfs/dbraw/zinc/08/90/32/431089032.db2.gz NJNXCSVNTWOUCY-SFHVURJKSA-N 2 1 310.482 2.569 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000649417994 431096240 /nfs/dbraw/zinc/09/62/40/431096240.db2.gz TXRCBPOYIXRXEL-IAGOWNOFSA-N 2 1 317.477 2.919 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncnc2C)[C@H](C)C1 ZINC000655716499 431096610 /nfs/dbraw/zinc/09/66/10/431096610.db2.gz UNFKRDLIYDENJW-KYJSFNMBSA-N 2 1 320.481 2.573 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncnc2C)[C@H](C)C1 ZINC000655716499 431096614 /nfs/dbraw/zinc/09/66/14/431096614.db2.gz UNFKRDLIYDENJW-KYJSFNMBSA-N 2 1 320.481 2.573 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415221 431096789 /nfs/dbraw/zinc/09/67/89/431096789.db2.gz QCMPHBPFYKBXOR-HOTGVXAUSA-N 2 1 312.461 2.580 20 0 DFADMP Cc1cc(C)cc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655715228 431097225 /nfs/dbraw/zinc/09/72/25/431097225.db2.gz HSULKTGHROPINJ-IBGZPJMESA-N 2 1 302.462 2.689 20 0 DFADMP Cc1cccc(O[C@@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655720332 431098145 /nfs/dbraw/zinc/09/81/45/431098145.db2.gz UCKORNMBGNGDDJ-FUHWJXTLSA-N 2 1 318.461 2.605 20 0 DFADMP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cccnc1 ZINC000655722085 431098889 /nfs/dbraw/zinc/09/88/89/431098889.db2.gz WLBUDRWXNORHFE-RTBURBONSA-N 2 1 317.477 2.664 20 0 DFADMP CCO[C@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000655718744 431099027 /nfs/dbraw/zinc/09/90/27/431099027.db2.gz LXZYDHHHWXVATR-RBUKOAKNSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1cccc(O[C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655720333 431099075 /nfs/dbraw/zinc/09/90/75/431099075.db2.gz UCKORNMBGNGDDJ-SJLPKXTDSA-N 2 1 318.461 2.605 20 0 DFADMP Fc1ccc(F)c(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655718761 431100239 /nfs/dbraw/zinc/10/02/39/431100239.db2.gz MBZGTAKBCYOESJ-QGZVFWFLSA-N 2 1 324.415 2.740 20 0 DFADMP CCOCCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCC1 ZINC000655722406 431101018 /nfs/dbraw/zinc/10/10/18/431101018.db2.gz ADIACVKARMDNAY-SFHVURJKSA-N 2 1 324.509 2.816 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771484 431129667 /nfs/dbraw/zinc/12/96/67/431129667.db2.gz LXTMMYZMRLOFRY-MJGOQNOKSA-N 2 1 314.473 2.949 20 0 DFADMP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655765077 431126888 /nfs/dbraw/zinc/12/68/88/431126888.db2.gz YGIKTTXBQJGNKA-HIFRSBDPSA-N 2 1 302.409 2.655 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC12CCSCC2 ZINC000655776590 431131751 /nfs/dbraw/zinc/13/17/51/431131751.db2.gz JPERHWCSWNRCRH-NVXWUHKLSA-N 2 1 324.534 2.753 20 0 DFADMP Cc1noc(C2CCC([NH2+]CC[N@@H+](C)C3CCCC3)CC2)n1 ZINC000368064154 279251846 /nfs/dbraw/zinc/25/18/46/279251846.db2.gz MTZVELAPRLUCOS-UHFFFAOYSA-N 2 1 306.454 2.868 20 0 DFADMP Cc1noc(C2CCC([NH2+]CC[N@H+](C)C3CCCC3)CC2)n1 ZINC000368064154 279251848 /nfs/dbraw/zinc/25/18/48/279251848.db2.gz MTZVELAPRLUCOS-UHFFFAOYSA-N 2 1 306.454 2.868 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000354266421 279266933 /nfs/dbraw/zinc/26/69/33/279266933.db2.gz NMDURNVAMONPIO-QZTJIDSGSA-N 2 1 317.477 2.588 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000104145394 279277856 /nfs/dbraw/zinc/27/78/56/279277856.db2.gz TXJSLPRYNXDJIK-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000104145394 279277860 /nfs/dbraw/zinc/27/78/60/279277860.db2.gz TXJSLPRYNXDJIK-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000104145394 279277861 /nfs/dbraw/zinc/27/78/61/279277861.db2.gz TXJSLPRYNXDJIK-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000247935509 279372824 /nfs/dbraw/zinc/37/28/24/279372824.db2.gz CKPFLCOXEFJQJV-MSOLQXFVSA-N 2 1 301.478 2.768 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])c1 ZINC000261666212 279384084 /nfs/dbraw/zinc/38/40/84/279384084.db2.gz FORJAQQDUYEFIF-QZTJIDSGSA-N 2 1 317.477 2.518 20 0 DFADMP COCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000655817229 431163378 /nfs/dbraw/zinc/16/33/78/431163378.db2.gz JCQIJLBSSCCCOW-AEFFLSMTSA-N 2 1 302.462 2.913 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000649566668 431165045 /nfs/dbraw/zinc/16/50/45/431165045.db2.gz TUBPOEGVQZOPQX-UHFFFAOYSA-N 2 1 302.422 2.896 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(OC(C)C)ccn1 ZINC000649566668 431165052 /nfs/dbraw/zinc/16/50/52/431165052.db2.gz TUBPOEGVQZOPQX-UHFFFAOYSA-N 2 1 302.422 2.896 20 0 DFADMP CCC[N@H+]1CC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662704286 431168519 /nfs/dbraw/zinc/16/85/19/431168519.db2.gz YHGYSKCIJPHBBF-SJORKVTESA-N 2 1 309.498 2.665 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649585839 431177050 /nfs/dbraw/zinc/17/70/50/431177050.db2.gz HZZKWCXXCAMTQQ-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649585839 431177054 /nfs/dbraw/zinc/17/70/54/431177054.db2.gz HZZKWCXXCAMTQQ-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649585839 431177061 /nfs/dbraw/zinc/17/70/61/431177061.db2.gz HZZKWCXXCAMTQQ-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCCCO1 ZINC000655847683 431182239 /nfs/dbraw/zinc/18/22/39/431182239.db2.gz YDYHLEWEDJAPMV-OKZBNKHCSA-N 2 1 310.482 2.567 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCCCO1 ZINC000655847682 431182709 /nfs/dbraw/zinc/18/27/09/431182709.db2.gz YDYHLEWEDJAPMV-FGTMMUONSA-N 2 1 310.482 2.567 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CCC2(CCCC2)O1 ZINC000655853169 431185888 /nfs/dbraw/zinc/18/58/88/431185888.db2.gz STZQCCIUGRDYRA-ROUUACIJSA-N 2 1 322.493 2.711 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCCCC1(F)F)CCO2 ZINC000646106869 431193474 /nfs/dbraw/zinc/19/34/74/431193474.db2.gz WYVKXNPXZUTKJX-CQSZACIVSA-N 2 1 302.409 2.609 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCCCC1(F)F)CCO2 ZINC000646106867 431193657 /nfs/dbraw/zinc/19/36/57/431193657.db2.gz WYVKXNPXZUTKJX-AWEZNQCLSA-N 2 1 302.409 2.609 20 0 DFADMP Cc1ccc(OC2CCN(C[C@@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000659935373 431197049 /nfs/dbraw/zinc/19/70/49/431197049.db2.gz PPEXTWYOWMKESL-KRWDZBQOSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[C@H](C)[N@H+]1C)c1ccccc1 ZINC000646040212 431158509 /nfs/dbraw/zinc/15/85/09/431158509.db2.gz DKOTZVBBOARHMD-RYQLBKOJSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nc(C)n1 ZINC000659944848 431204629 /nfs/dbraw/zinc/20/46/29/431204629.db2.gz WMUDNCQSJMTFIZ-INIZCTEOSA-N 2 1 311.433 2.731 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000666402142 431214742 /nfs/dbraw/zinc/21/47/42/431214742.db2.gz VINYYGQUPWZWFX-IBGZPJMESA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@H](C3CCC3)C2)cc1 ZINC000666402142 431214748 /nfs/dbraw/zinc/21/47/48/431214748.db2.gz VINYYGQUPWZWFX-IBGZPJMESA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(C2CC[NH+](CCCn3cc[nH+]c3C)CC2)nc1 ZINC000649651188 431216832 /nfs/dbraw/zinc/21/68/32/431216832.db2.gz AGWCXDYXCIZRCP-UHFFFAOYSA-N 2 1 314.433 2.865 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC[N@@H+]1C ZINC000659984175 431218653 /nfs/dbraw/zinc/21/86/53/431218653.db2.gz DTEAVKJLSXPNJZ-BRWVUGGUSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC[N@H+]1C ZINC000659984175 431218657 /nfs/dbraw/zinc/21/86/57/431218657.db2.gz DTEAVKJLSXPNJZ-BRWVUGGUSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC[NH+]1C ZINC000659984175 431218661 /nfs/dbraw/zinc/21/86/61/431218661.db2.gz DTEAVKJLSXPNJZ-BRWVUGGUSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC[NH+]1C ZINC000659984175 431218664 /nfs/dbraw/zinc/21/86/64/431218664.db2.gz DTEAVKJLSXPNJZ-BRWVUGGUSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@@H](CCNC(=O)CC(C)(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000646264405 431248564 /nfs/dbraw/zinc/24/85/64/431248564.db2.gz ZVIDXBDHANKCLV-NVXWUHKLSA-N 2 1 317.477 2.531 20 0 DFADMP CCC[C@H]([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000646401130 431295066 /nfs/dbraw/zinc/29/50/66/431295066.db2.gz IDDOICVVQZFNMM-ZDUSSCGKSA-N 2 1 310.467 2.585 20 0 DFADMP CC[N@@H+](CCCNC(=O)CC[C@H]1CCC[NH2+]1)C1CCCCC1 ZINC000653201050 431306734 /nfs/dbraw/zinc/30/67/34/431306734.db2.gz YIWIETUDGYKDOT-MRXNPFEDSA-N 2 1 309.498 2.680 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@]1(C)CCC[NH2+]C1)C1CCCCC1 ZINC000653200407 431307174 /nfs/dbraw/zinc/30/71/74/431307174.db2.gz CZOGIZYZLCYKGG-GOSISDBHSA-N 2 1 309.498 2.537 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000653200391 431307219 /nfs/dbraw/zinc/30/72/19/431307219.db2.gz CTHRVPQBYSZRMJ-KRWDZBQOSA-N 2 1 321.509 2.537 20 0 DFADMP CC1CC[NH+](Cc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)CC1 ZINC000666546686 431270634 /nfs/dbraw/zinc/27/06/34/431270634.db2.gz NAWGQQZAONFTMK-UHFFFAOYSA-N 2 1 315.461 2.951 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653119523 431271025 /nfs/dbraw/zinc/27/10/25/431271025.db2.gz MNCJMUZOBAOYOA-PVAVHDDUSA-N 2 1 321.509 2.534 20 0 DFADMP CC[N@@H+](Cc1ccc(CN2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000649754253 431273353 /nfs/dbraw/zinc/27/33/53/431273353.db2.gz HQLGPGUWFSDDKL-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCOC1 ZINC000649754253 431273364 /nfs/dbraw/zinc/27/33/64/431273364.db2.gz HQLGPGUWFSDDKL-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP c1[nH+]c(NC2CC[NH+](C[C@@H]3CCCO3)CC2)cc2c1CCC2 ZINC000656262951 431343416 /nfs/dbraw/zinc/34/34/16/431343416.db2.gz WEWWRBSDTNLMPI-KRWDZBQOSA-N 2 1 301.434 2.626 20 0 DFADMP Cc1cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000660256674 431346106 /nfs/dbraw/zinc/34/61/06/431346106.db2.gz MVOUNKFZABBYFC-ZBFHGGJFSA-N 2 1 302.466 2.836 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000653279591 431348781 /nfs/dbraw/zinc/34/87/81/431348781.db2.gz RRSORJQKMJRWIA-QGPMSJSTSA-N 2 1 304.434 2.556 20 0 DFADMP Clc1ccccc1Cn1cc(C[NH2+]C[C@@H]2CCC[NH2+]C2)cn1 ZINC000666763516 431349356 /nfs/dbraw/zinc/34/93/56/431349356.db2.gz AHKQRCKMBKODIF-CQSZACIVSA-N 2 1 318.852 2.674 20 0 DFADMP CC(C)C[C@@H](CN)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666798868 431363699 /nfs/dbraw/zinc/36/36/99/431363699.db2.gz NNSSJOSENDJHBU-SFHVURJKSA-N 2 1 319.493 2.624 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666798868 431363707 /nfs/dbraw/zinc/36/37/07/431363707.db2.gz NNSSJOSENDJHBU-SFHVURJKSA-N 3 1 319.493 2.624 20 0 DFADMP c1ccc2c(c1)OCC[C@H]2C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000666805527 431364641 /nfs/dbraw/zinc/36/46/41/431364641.db2.gz VCYVJOTZPNMTED-KRWDZBQOSA-N 2 1 311.429 2.717 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(C(=O)NC3CC3)cc2)CCCCCC1 ZINC000666808108 431364964 /nfs/dbraw/zinc/36/49/64/431364964.db2.gz QKQUPSYJFUYKMF-UHFFFAOYSA-N 2 1 315.461 2.720 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525839 431420490 /nfs/dbraw/zinc/42/04/90/431420490.db2.gz INIBHCIDVBNFDU-RTBURBONSA-N 2 1 304.478 2.562 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525839 431420494 /nfs/dbraw/zinc/42/04/94/431420494.db2.gz INIBHCIDVBNFDU-RTBURBONSA-N 2 1 304.478 2.562 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525839 431420499 /nfs/dbraw/zinc/42/04/99/431420499.db2.gz INIBHCIDVBNFDU-RTBURBONSA-N 2 1 304.478 2.562 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n(CC2CC2)n1 ZINC000663343999 431373133 /nfs/dbraw/zinc/37/31/33/431373133.db2.gz LTXMVTHKGDVOIE-QGZVFWFLSA-N 2 1 302.466 2.505 20 0 DFADMP c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n(CC2CC2)n1 ZINC000663343999 431373141 /nfs/dbraw/zinc/37/31/41/431373141.db2.gz LTXMVTHKGDVOIE-QGZVFWFLSA-N 2 1 302.466 2.505 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cc(OC)c1 ZINC000663347039 431375238 /nfs/dbraw/zinc/37/52/38/431375238.db2.gz GIUIUGBLVKOZGW-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663347647 431375412 /nfs/dbraw/zinc/37/54/12/431375412.db2.gz RHQJGWZBNFUXPK-INIZCTEOSA-N 2 1 304.482 2.850 20 0 DFADMP CC(C)(C)n1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663347647 431375416 /nfs/dbraw/zinc/37/54/16/431375416.db2.gz RHQJGWZBNFUXPK-INIZCTEOSA-N 2 1 304.482 2.850 20 0 DFADMP CN(C(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C)c1ccccc1 ZINC000663358657 431384087 /nfs/dbraw/zinc/38/40/87/431384087.db2.gz ARJBDMSQSCMNCZ-ZNXRZULTSA-N 2 1 315.461 2.644 20 0 DFADMP C[C@H](CC[NH+]1CCCOC[C@H]1C)CC[N@H+]1CCCOC[C@@H]1C ZINC000663362063 431385672 /nfs/dbraw/zinc/38/56/72/431385672.db2.gz VBBREHWQGDEFEO-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H](CC[NH+]1CCCOC[C@@H]1C)CC[N@@H+]1CCCOC[C@H]1C ZINC000663362063 431385678 /nfs/dbraw/zinc/38/56/78/431385678.db2.gz VBBREHWQGDEFEO-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H](CC[NH+]1CCCOC[C@@H]1C)CC[N@H+]1CCCOC[C@H]1C ZINC000663362063 431385682 /nfs/dbraw/zinc/38/56/82/431385682.db2.gz VBBREHWQGDEFEO-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC(F)F)c1 ZINC000666855279 431386835 /nfs/dbraw/zinc/38/68/35/431386835.db2.gz JNAHTGVEWZPFEG-LBPRGKRZSA-N 2 1 300.349 2.528 20 0 DFADMP CO[C@@H](C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000660347938 431391729 /nfs/dbraw/zinc/39/17/29/431391729.db2.gz LHPXLWGTODMXEZ-RDJZCZTQSA-N 2 1 305.466 2.973 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000660347938 431391732 /nfs/dbraw/zinc/39/17/32/431391732.db2.gz LHPXLWGTODMXEZ-RDJZCZTQSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]([NH3+])C1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000653472593 431392435 /nfs/dbraw/zinc/39/24/35/431392435.db2.gz VXLUWDRIUBGGSF-CQSZACIVSA-N 2 1 317.481 2.667 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000656495894 431410341 /nfs/dbraw/zinc/41/03/41/431410341.db2.gz DGWCGOATZVVKRY-UHFFFAOYSA-N 2 1 312.461 2.815 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995505 431438160 /nfs/dbraw/zinc/43/81/60/431438160.db2.gz PRFLECOREWGOJG-LJQANCHMSA-N 2 1 313.489 2.915 20 0 DFADMP Clc1cc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)cc2c1OCCO2 ZINC000666999451 431439770 /nfs/dbraw/zinc/43/97/70/431439770.db2.gz JQCPQVZHXHMDLE-CYBMUJFWSA-N 2 1 322.836 2.876 20 0 DFADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000653566488 431439905 /nfs/dbraw/zinc/43/99/05/431439905.db2.gz VPVKKGDNDORNBD-IBGZPJMESA-N 2 1 312.461 2.559 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666998108 431440201 /nfs/dbraw/zinc/44/02/01/431440201.db2.gz BKFFUVWRDCLBQF-KRWDZBQOSA-N 2 1 310.445 2.945 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@@H+]1CCNC[C@@H]1c1ccccc1Cl ZINC000663495250 431444023 /nfs/dbraw/zinc/44/40/23/431444023.db2.gz WIEIYBDPNLAMBV-JKIFEVAISA-N 2 1 307.869 2.532 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@H+]1CCNC[C@@H]1c1ccccc1Cl ZINC000663495250 431444029 /nfs/dbraw/zinc/44/40/29/431444029.db2.gz WIEIYBDPNLAMBV-JKIFEVAISA-N 2 1 307.869 2.532 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497117 431444090 /nfs/dbraw/zinc/44/40/90/431444090.db2.gz BYYIDZRQJKZZOC-SFYCDEOASA-N 2 1 321.852 2.707 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000653588719 431447118 /nfs/dbraw/zinc/44/71/18/431447118.db2.gz DUFWALANYDLAJR-UHFFFAOYSA-N 3 1 318.509 2.941 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@H](Cn1cccn1)c1ccccc1 ZINC000653582083 431447167 /nfs/dbraw/zinc/44/71/67/431447167.db2.gz WIYRISAHGRRWHW-GOSISDBHSA-N 2 1 309.417 2.580 20 0 DFADMP OC1(C[NH+]2CCOCC2)CC[NH+](CCC2CCCCCC2)CC1 ZINC000653596132 431454242 /nfs/dbraw/zinc/45/42/42/431454242.db2.gz FWKWNBOKGHRRPZ-UHFFFAOYSA-N 2 1 324.509 2.506 20 0 DFADMP CCC[C@H](NC[C@H](O)C[N@@H+](C)CC)c1ccc(F)cc1F ZINC000653607062 431455610 /nfs/dbraw/zinc/45/56/10/431455610.db2.gz RNGLNQRVZZLTTI-BBRMVZONSA-N 2 1 300.393 2.708 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H](c3nc([C@@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647151386 431479870 /nfs/dbraw/zinc/47/98/70/431479870.db2.gz DPNYIWVYRPDZEU-CVEARBPZSA-N 2 1 312.417 2.874 20 0 DFADMP COc1cc2cc[nH+]c(N[C@@H]3CCc4[nH+]ccn4C3)c2cc1OC ZINC000663451341 431426382 /nfs/dbraw/zinc/42/63/82/431426382.db2.gz IOUKSMHRHDTMDO-CYBMUJFWSA-N 2 1 324.384 2.875 20 0 DFADMP Cc1cc(C)n([C@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000653552195 431430582 /nfs/dbraw/zinc/43/05/82/431430582.db2.gz LKXZOEZNSWKVPB-KRWDZBQOSA-N 2 1 301.438 2.503 20 0 DFADMP Cc1cc(C)n([C@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000653552195 431430587 /nfs/dbraw/zinc/43/05/87/431430587.db2.gz LKXZOEZNSWKVPB-KRWDZBQOSA-N 2 1 301.438 2.503 20 0 DFADMP COc1cccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663468775 431435634 /nfs/dbraw/zinc/43/56/34/431435634.db2.gz MRWNXFAIERBOCK-RDJZCZTQSA-N 2 1 317.477 2.733 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)ccc21 ZINC000656783927 431519016 /nfs/dbraw/zinc/51/90/16/431519016.db2.gz WJJXVGMMVFSOJK-KRWDZBQOSA-N 2 1 312.461 2.785 20 0 DFADMP Cc1cccn2c(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cnc12 ZINC000656786289 431522048 /nfs/dbraw/zinc/52/20/48/431522048.db2.gz RVWAUBQTLRIJSY-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC[C@@H](c2cccc(Cl)c2)C1 ZINC000660632481 431522247 /nfs/dbraw/zinc/52/22/47/431522247.db2.gz OORMIFJMQNMAKF-NVXWUHKLSA-N 2 1 310.869 2.830 20 0 DFADMP COc1ccc(C[NH2+]CC2([NH3+])CCCC2)cc1OC(F)F ZINC000656788287 431522296 /nfs/dbraw/zinc/52/22/96/431522296.db2.gz HWLQYBRMPOZCLD-UHFFFAOYSA-N 2 1 300.349 2.658 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000656787685 431522411 /nfs/dbraw/zinc/52/24/11/431522411.db2.gz RIANWOFARRJVRO-RRFJBIMHSA-N 2 1 307.869 2.754 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786292 431522905 /nfs/dbraw/zinc/52/29/05/431522905.db2.gz RYQIXTNUDAKINT-INIZCTEOSA-N 2 1 303.450 2.692 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786944 431523198 /nfs/dbraw/zinc/52/31/98/431523198.db2.gz XYKKWOCQJSFAAE-HNNXBMFYSA-N 2 1 304.482 2.919 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656786212 431523452 /nfs/dbraw/zinc/52/34/52/431523452.db2.gz PTVGVLPJQCWFNG-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)ccc1OC(F)F ZINC000656788322 431525902 /nfs/dbraw/zinc/52/59/02/431525902.db2.gz JJWHTRHVMSLWCL-UHFFFAOYSA-N 2 1 300.349 2.658 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000656714360 431491454 /nfs/dbraw/zinc/49/14/54/431491454.db2.gz HNUDTTIQXBXYQN-HOTGVXAUSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000656714360 431491463 /nfs/dbraw/zinc/49/14/63/431491463.db2.gz HNUDTTIQXBXYQN-HOTGVXAUSA-N 2 1 312.404 2.504 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H]3CO[C@H](C)C3)CC2)cs1 ZINC000647182016 431497391 /nfs/dbraw/zinc/49/73/91/431497391.db2.gz BTCLWCRIQUZPHP-UKRRQHHQSA-N 2 1 323.506 2.685 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344237 431558920 /nfs/dbraw/zinc/55/89/20/431558920.db2.gz MHFOWKJLGKPQSH-UJWQCDCRSA-N 2 1 314.473 2.735 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](C)C3(CCCCC3)C2)C1 ZINC000660673392 431544026 /nfs/dbraw/zinc/54/40/26/431544026.db2.gz SJVOTROXZXKESR-ROUUACIJSA-N 2 1 307.526 2.915 20 0 DFADMP CCc1ccc(CC[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)cc1 ZINC000660695590 431552087 /nfs/dbraw/zinc/55/20/87/431552087.db2.gz SCAGCFOXWZHRME-UHFFFAOYSA-N 2 1 318.505 2.864 20 0 DFADMP C[C@](O)(C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccccc1 ZINC000246869589 280142411 /nfs/dbraw/zinc/14/24/11/280142411.db2.gz AJDVLMPWAIUREP-MOPGFXCFSA-N 2 1 302.462 2.844 20 0 DFADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(OC)cc1 ZINC000247932074 280186526 /nfs/dbraw/zinc/18/65/26/280186526.db2.gz CCLLFEFSDDULEJ-PKOBYXMFSA-N 2 1 320.477 2.973 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)OC)cc1 ZINC000293620121 280189453 /nfs/dbraw/zinc/18/94/53/280189453.db2.gz HACHJLDNUFPUCO-KBXCAEBGSA-N 2 1 316.445 2.998 20 0 DFADMP Cc1ncc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)o1 ZINC000657103415 431598614 /nfs/dbraw/zinc/59/86/14/431598614.db2.gz JHZGNMLXRQINJH-UHFFFAOYSA-N 2 1 315.417 2.747 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480623 431603301 /nfs/dbraw/zinc/60/33/01/431603301.db2.gz VHMZCPHSIBOVSG-WBVHZDCISA-N 2 1 311.429 2.904 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479436 431603618 /nfs/dbraw/zinc/60/36/18/431603618.db2.gz GSWDHADSCPCJJZ-ZWKOTPCHSA-N 2 1 316.493 2.890 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479436 431603624 /nfs/dbraw/zinc/60/36/24/431603624.db2.gz GSWDHADSCPCJJZ-ZWKOTPCHSA-N 2 1 316.493 2.890 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000647485676 431603652 /nfs/dbraw/zinc/60/36/52/431603652.db2.gz OPDICBQIYVHIAM-CQSZACIVSA-N 2 1 314.433 2.517 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)C1 ZINC000647485676 431603657 /nfs/dbraw/zinc/60/36/57/431603657.db2.gz OPDICBQIYVHIAM-CQSZACIVSA-N 2 1 314.433 2.517 20 0 DFADMP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479758 431604280 /nfs/dbraw/zinc/60/42/80/431604280.db2.gz SYWBMKZPZRNGQJ-IAGOWNOFSA-N 2 1 302.466 2.502 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cn1 ZINC000647479758 431604285 /nfs/dbraw/zinc/60/42/85/431604285.db2.gz SYWBMKZPZRNGQJ-IAGOWNOFSA-N 2 1 302.466 2.502 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650705756 431654556 /nfs/dbraw/zinc/65/45/56/431654556.db2.gz UKTKFFIXKVVKQS-SCTDSRPQSA-N 2 1 318.461 2.804 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]CCC[NH+]1CCCC1 ZINC000657295472 431654898 /nfs/dbraw/zinc/65/48/98/431654898.db2.gz CWISEWRHJNODBC-UHFFFAOYSA-N 2 1 312.255 2.728 20 0 DFADMP COCCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000650708854 431655885 /nfs/dbraw/zinc/65/58/85/431655885.db2.gz QWZYGIPPIXZNRF-HKUYNNGSSA-N 2 1 318.461 2.663 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000650711240 431655965 /nfs/dbraw/zinc/65/59/65/431655965.db2.gz MRVXWKVRPFPEKF-QAPCUYQASA-N 2 1 306.450 2.661 20 0 DFADMP c1cc(O[C@H]2CCOC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000657295822 431656405 /nfs/dbraw/zinc/65/64/05/431656405.db2.gz ZZZFLADUJJUQIT-IBGZPJMESA-N 2 1 316.445 2.571 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000660805248 431606397 /nfs/dbraw/zinc/60/63/97/431606397.db2.gz YWOGBLFFRKHGAF-RBUKOAKNSA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000660805248 431606399 /nfs/dbraw/zinc/60/63/99/431606399.db2.gz YWOGBLFFRKHGAF-RBUKOAKNSA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1 ZINC000660805248 431606402 /nfs/dbraw/zinc/60/64/02/431606402.db2.gz YWOGBLFFRKHGAF-RBUKOAKNSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000647498262 431606569 /nfs/dbraw/zinc/60/65/69/431606569.db2.gz DFMPTUNQBPKSOC-WBMJQRKESA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@@H]1[NH3+] ZINC000647498262 431606573 /nfs/dbraw/zinc/60/65/73/431606573.db2.gz DFMPTUNQBPKSOC-WBMJQRKESA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)CC[C@@H]1[NH3+] ZINC000647499087 431608408 /nfs/dbraw/zinc/60/84/08/431608408.db2.gz ZGEJTZRKULLNMX-RDJZCZTQSA-N 2 1 312.417 2.828 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)CC[C@H]([NH3+])C(C)C)o1 ZINC000647505787 431610116 /nfs/dbraw/zinc/61/01/16/431610116.db2.gz DBPLUTQRPJNUFD-HNNXBMFYSA-N 2 1 304.438 2.794 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH2+]C1 ZINC000647515486 431611272 /nfs/dbraw/zinc/61/12/72/431611272.db2.gz HRPOLKDJJOLTGM-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@]1(C)CC[NH2+]C1 ZINC000647515630 431611687 /nfs/dbraw/zinc/61/16/87/431611687.db2.gz SKYZVTADYJOJQM-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@@]1(C)CC[NH2+]C1 ZINC000647515629 431612213 /nfs/dbraw/zinc/61/22/13/431612213.db2.gz SKYZVTADYJOJQM-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@@H+](Cc1cc(-c2ccco2)on1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000663976392 431612470 /nfs/dbraw/zinc/61/24/70/431612470.db2.gz NRRQTFHJKZHWCW-ZDUSSCGKSA-N 2 1 312.373 2.826 20 0 DFADMP C[N@H+](Cc1cc(-c2ccco2)on1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000663976392 431612476 /nfs/dbraw/zinc/61/24/76/431612476.db2.gz NRRQTFHJKZHWCW-ZDUSSCGKSA-N 2 1 312.373 2.826 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000647531197 431616631 /nfs/dbraw/zinc/61/66/31/431616631.db2.gz GNUHIKZOMBHNEQ-UHFFFAOYSA-N 2 1 302.340 2.941 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647536783 431621249 /nfs/dbraw/zinc/62/12/49/431621249.db2.gz CGOZAJUOLYYGDW-KRWDZBQOSA-N 2 1 318.852 2.756 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000647536783 431621254 /nfs/dbraw/zinc/62/12/54/431621254.db2.gz CGOZAJUOLYYGDW-KRWDZBQOSA-N 2 1 318.852 2.756 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544257 431623679 /nfs/dbraw/zinc/62/36/79/431623679.db2.gz YTIQVGQECZVNPV-QZTJIDSGSA-N 2 1 315.461 2.857 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543500 431625241 /nfs/dbraw/zinc/62/52/41/431625241.db2.gz OKLIQTOAZYFURT-SJORKVTESA-N 2 1 316.445 2.669 20 0 DFADMP Cc1cccc2ncc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n21 ZINC000647543104 431625963 /nfs/dbraw/zinc/62/59/63/431625963.db2.gz HRQCFMRTTCARBE-SJORKVTESA-N 2 1 312.461 2.854 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000657264007 431642447 /nfs/dbraw/zinc/64/24/47/431642447.db2.gz NGLLWFISRKGWDH-GOSISDBHSA-N 2 1 302.462 2.792 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1(C2CCC2)CCC1 ZINC000657264007 431642454 /nfs/dbraw/zinc/64/24/54/431642454.db2.gz NGLLWFISRKGWDH-GOSISDBHSA-N 2 1 302.462 2.792 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC1([NH3+])CCCCCC1 ZINC000647655006 431647257 /nfs/dbraw/zinc/64/72/57/431647257.db2.gz HBDCTAHQXYZOSW-AWEZNQCLSA-N 2 1 306.454 2.565 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000660898569 431649695 /nfs/dbraw/zinc/64/96/95/431649695.db2.gz IBJJKZIGKUBASS-RTBURBONSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000660898569 431649699 /nfs/dbraw/zinc/64/96/99/431649699.db2.gz IBJJKZIGKUBASS-RTBURBONSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000660898569 431649703 /nfs/dbraw/zinc/64/97/03/431649703.db2.gz IBJJKZIGKUBASS-RTBURBONSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000660898569 431649706 /nfs/dbraw/zinc/64/97/06/431649706.db2.gz IBJJKZIGKUBASS-RTBURBONSA-N 2 1 322.468 2.924 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cccc(F)c2F)C1 ZINC000650723431 431666046 /nfs/dbraw/zinc/66/60/46/431666046.db2.gz NPHJQHKWLPVSOQ-KBMXLJTQSA-N 2 1 310.388 2.826 20 0 DFADMP CCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650723756 431666327 /nfs/dbraw/zinc/66/63/27/431666327.db2.gz SXCMOIWYHKVZPB-NWANDNLSSA-N 2 1 309.479 2.566 20 0 DFADMP CCc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000650723756 431666331 /nfs/dbraw/zinc/66/63/31/431666331.db2.gz SXCMOIWYHKVZPB-NWANDNLSSA-N 2 1 309.479 2.566 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)ccc2F)C1 ZINC000650722351 431666816 /nfs/dbraw/zinc/66/68/16/431666816.db2.gz QESRZXQVTFPVIT-HYVNUMGLSA-N 2 1 310.388 2.826 20 0 DFADMP c1cc(CN2CCOCC2)cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)c1 ZINC000660934895 431667440 /nfs/dbraw/zinc/66/74/40/431667440.db2.gz WURFWCXUAFKKAB-OALUTQOASA-N 2 1 300.446 2.893 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)cc1 ZINC000657314263 431669542 /nfs/dbraw/zinc/66/95/42/431669542.db2.gz ZISGCKPEMOJSQK-SNRMKQJTSA-N 2 1 318.461 2.817 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1 ZINC000657314263 431669547 /nfs/dbraw/zinc/66/95/47/431669547.db2.gz ZISGCKPEMOJSQK-SNRMKQJTSA-N 2 1 318.461 2.817 20 0 DFADMP c1ccc2[nH+]c(NCC3CC[NH+](C4CCOCC4)CC3)[nH]c2c1 ZINC000664151146 431672812 /nfs/dbraw/zinc/67/28/12/431672812.db2.gz QBIMONXIEZLOEX-UHFFFAOYSA-N 2 1 314.433 2.866 20 0 DFADMP CCc1nc(NCC2CC[NH+](C3CCOCC3)CC2)cc(C)[nH+]1 ZINC000664152631 431675029 /nfs/dbraw/zinc/67/50/29/431675029.db2.gz FRQKVNOAHLFBLY-UHFFFAOYSA-N 2 1 318.465 2.650 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744374 431675456 /nfs/dbraw/zinc/67/54/56/431675456.db2.gz MQUWYSHFEIFFAF-AEFFLSMTSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744374 431675462 /nfs/dbraw/zinc/67/54/62/431675462.db2.gz MQUWYSHFEIFFAF-AEFFLSMTSA-N 2 1 301.478 2.616 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[NH+]1CCC(C)CC1 ZINC000647788389 431686390 /nfs/dbraw/zinc/68/63/90/431686390.db2.gz INQIPBISMLXQNP-INDMIFKZSA-N 3 1 307.526 2.721 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)N1CCCCCC1 ZINC000647791295 431688252 /nfs/dbraw/zinc/68/82/52/431688252.db2.gz BOARSGWLIFVKOK-MKXGPGLRSA-N 2 1 307.526 2.865 20 0 DFADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000657350359 431692330 /nfs/dbraw/zinc/69/23/30/431692330.db2.gz VOGJJWALKSQXRW-IXDOHACOSA-N 2 1 309.498 2.522 20 0 DFADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+][C@@H](C)C[NH+](CC)CC ZINC000657347782 431692869 /nfs/dbraw/zinc/69/28/69/431692869.db2.gz XNSDSSSNQGPYPK-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2ccncc2s1 ZINC000657355859 431695541 /nfs/dbraw/zinc/69/55/41/431695541.db2.gz BUUVQCQXNIKNQY-HNNXBMFYSA-N 2 1 319.474 2.623 20 0 DFADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1ccc(Cl)cc1 ZINC000647814798 431697209 /nfs/dbraw/zinc/69/72/09/431697209.db2.gz GQQPFYULELVTRY-UHFFFAOYSA-N 2 1 321.852 2.885 20 0 DFADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C ZINC000657362823 431701871 /nfs/dbraw/zinc/70/18/71/431701871.db2.gz ACGCMRHHUWXGDA-LBPRGKRZSA-N 2 1 320.403 2.895 20 0 DFADMP Cc1ccc2ccnc(NCC[N@@H+](C)CCC[NH+](C)C)c2c1 ZINC000664244849 431712463 /nfs/dbraw/zinc/71/24/63/431712463.db2.gz LMVBMKWLVSDUKA-UHFFFAOYSA-N 2 1 300.450 2.839 20 0 DFADMP Cc1ccc2ccnc(NCC[N@H+](C)CCC[NH+](C)C)c2c1 ZINC000664244849 431712466 /nfs/dbraw/zinc/71/24/66/431712466.db2.gz LMVBMKWLVSDUKA-UHFFFAOYSA-N 2 1 300.450 2.839 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2F)C1 ZINC000650723430 431663966 /nfs/dbraw/zinc/66/39/66/431663966.db2.gz NPHJQHKWLPVSOQ-FVQBIDKESA-N 2 1 310.388 2.826 20 0 DFADMP CC[C@@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@@H]1[NH3+] ZINC000647934953 431737381 /nfs/dbraw/zinc/73/73/81/431737381.db2.gz VLMRTMDBRPJQAR-ABAIWWIYSA-N 2 1 300.805 2.917 20 0 DFADMP CC[C@@H]1C[N@@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)CC[C@H]1[NH3+] ZINC000647938568 431739682 /nfs/dbraw/zinc/73/96/82/431739682.db2.gz PVUPYHZGHBKKKD-NXHRZFHOSA-N 2 1 317.477 2.655 20 0 DFADMP CC[C@@H]1C[N@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)CC[C@H]1[NH3+] ZINC000647938568 431739687 /nfs/dbraw/zinc/73/96/87/431739687.db2.gz PVUPYHZGHBKKKD-NXHRZFHOSA-N 2 1 317.477 2.655 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000661137520 431747188 /nfs/dbraw/zinc/74/71/88/431747188.db2.gz QEQDEKHEBJACFS-MSOLQXFVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000661137520 431747194 /nfs/dbraw/zinc/74/71/94/431747194.db2.gz QEQDEKHEBJACFS-MSOLQXFVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000661137520 431747200 /nfs/dbraw/zinc/74/72/00/431747200.db2.gz QEQDEKHEBJACFS-MSOLQXFVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000661137520 431747202 /nfs/dbraw/zinc/74/72/02/431747202.db2.gz QEQDEKHEBJACFS-MSOLQXFVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000661137520 431747210 /nfs/dbraw/zinc/74/72/10/431747210.db2.gz QEQDEKHEBJACFS-MSOLQXFVSA-N 2 1 302.462 2.895 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccccc1)CC1CCC1 ZINC000647960839 431751176 /nfs/dbraw/zinc/75/11/76/431751176.db2.gz NCRGMQQHTWIVDT-LJQANCHMSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccccc1)CC1CCC1 ZINC000647960839 431751180 /nfs/dbraw/zinc/75/11/80/431751180.db2.gz NCRGMQQHTWIVDT-LJQANCHMSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccccc1)CC1CCC1 ZINC000647960839 431751187 /nfs/dbraw/zinc/75/11/87/431751187.db2.gz NCRGMQQHTWIVDT-LJQANCHMSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1Cc1ccccc1 ZINC000647972001 431758703 /nfs/dbraw/zinc/75/87/03/431758703.db2.gz FSGPIPIQVLUBFW-QRVBRYPASA-N 2 1 304.478 2.689 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975374 431761761 /nfs/dbraw/zinc/76/17/61/431761761.db2.gz YRNTUJQZEZVTPP-SJORKVTESA-N 2 1 315.461 2.645 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977882 431761868 /nfs/dbraw/zinc/76/18/68/431761868.db2.gz JKHAOGHACCWSSG-IRXDYDNUSA-N 2 1 318.461 2.786 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976334 431762210 /nfs/dbraw/zinc/76/22/10/431762210.db2.gz NGNGIPLWKIOWAZ-IAGOWNOFSA-N 2 1 318.461 2.786 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000647976768 431762338 /nfs/dbraw/zinc/76/23/38/431762338.db2.gz TZMZOARAASKXLD-IAGOWNOFSA-N 2 1 315.461 2.727 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(Br)cn1 ZINC000657457318 431762581 /nfs/dbraw/zinc/76/25/81/431762581.db2.gz JDXGGADXMBMNGN-JTQLQIEISA-N 2 1 321.222 2.838 20 0 DFADMP Fc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977101 431762739 /nfs/dbraw/zinc/76/27/39/431762739.db2.gz XVDVSIRFKHEDRX-HOTGVXAUSA-N 2 1 306.425 2.916 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975503 431762803 /nfs/dbraw/zinc/76/28/03/431762803.db2.gz BEEIFODCEWNYPY-SNPRPXQTSA-N 2 1 304.438 2.720 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977881 431763220 /nfs/dbraw/zinc/76/32/20/431763220.db2.gz JKHAOGHACCWSSG-IAGOWNOFSA-N 2 1 318.461 2.786 20 0 DFADMP COc1ccc2nc(NCC[N@H+](C)CCC[NH+](C)C)ccc2c1 ZINC000664247012 431715590 /nfs/dbraw/zinc/71/55/90/431715590.db2.gz CKNZUVPLMLEAFY-UHFFFAOYSA-N 2 1 316.449 2.539 20 0 DFADMP COc1ccc2nc(NCC[N@@H+](C)CCC[NH+](C)C)ccc2c1 ZINC000664247012 431715597 /nfs/dbraw/zinc/71/55/97/431715597.db2.gz CKNZUVPLMLEAFY-UHFFFAOYSA-N 2 1 316.449 2.539 20 0 DFADMP FC(F)(F)CO[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647879808 431717285 /nfs/dbraw/zinc/71/72/85/431717285.db2.gz ATDFQSSLHHYPDB-AWEZNQCLSA-N 2 1 308.388 2.810 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccccc1Br ZINC000647890704 431718416 /nfs/dbraw/zinc/71/84/16/431718416.db2.gz HTCVERYORJDLRX-CQSZACIVSA-N 2 1 313.239 2.561 20 0 DFADMP c1ccc(OCCOCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647901491 431722643 /nfs/dbraw/zinc/72/26/43/431722643.db2.gz PTBLMONZFCHGPW-HKUYNNGSSA-N 2 1 318.461 2.546 20 0 DFADMP c1ccc(OCCOCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901494 431723436 /nfs/dbraw/zinc/72/34/36/431723436.db2.gz PTBLMONZFCHGPW-PKOBYXMFSA-N 2 1 318.461 2.546 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CS1 ZINC000657598015 431821674 /nfs/dbraw/zinc/82/16/74/431821674.db2.gz WYSAXGJHFAYVSS-OLMNPRSZSA-N 2 1 320.502 2.627 20 0 DFADMP Cc1ccc2c(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000261987386 281045880 /nfs/dbraw/zinc/04/58/80/281045880.db2.gz BAJDACCXUXGBST-HIFRSBDPSA-N 2 1 300.402 2.518 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H](O)CCC(C)C)C2)[nH+]1 ZINC000280317788 281245276 /nfs/dbraw/zinc/24/52/76/281245276.db2.gz PBNXPZSWJZQIFZ-DLBZAZTESA-N 2 1 305.466 2.921 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)CCC(C)C)C2)[nH+]1 ZINC000280317788 281245277 /nfs/dbraw/zinc/24/52/77/281245277.db2.gz PBNXPZSWJZQIFZ-DLBZAZTESA-N 2 1 305.466 2.921 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CC(C)(c3ccc(F)cc3)C2)CCOCC1 ZINC000365249392 282042854 /nfs/dbraw/zinc/04/28/54/282042854.db2.gz YKNPMFPPGZBLNL-UHFFFAOYSA-N 2 1 320.452 2.946 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[C@@H]([NH+]3CCOCC3)C2)c1C ZINC000302077316 282073811 /nfs/dbraw/zinc/07/38/11/282073811.db2.gz JVKXTPJRDQWVRO-MRXNPFEDSA-N 2 1 311.429 2.763 20 0 DFADMP Fc1ccccc1OCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414032 289091252 /nfs/dbraw/zinc/09/12/52/289091252.db2.gz JHAYLQMDSPJMNM-VYDXJSESSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000363414032 289091253 /nfs/dbraw/zinc/09/12/53/289091253.db2.gz JHAYLQMDSPJMNM-VYDXJSESSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414032 289091254 /nfs/dbraw/zinc/09/12/54/289091254.db2.gz JHAYLQMDSPJMNM-VYDXJSESSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363414032 289091255 /nfs/dbraw/zinc/09/12/55/289091255.db2.gz JHAYLQMDSPJMNM-VYDXJSESSA-N 2 1 304.409 2.621 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414290 289091942 /nfs/dbraw/zinc/09/19/42/289091942.db2.gz LVQWCZJZHASAEM-LMMKCTJWSA-N 2 1 323.440 2.857 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414290 289091944 /nfs/dbraw/zinc/09/19/44/289091944.db2.gz LVQWCZJZHASAEM-LMMKCTJWSA-N 2 1 323.440 2.857 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363414290 289091946 /nfs/dbraw/zinc/09/19/46/289091946.db2.gz LVQWCZJZHASAEM-LMMKCTJWSA-N 2 1 323.440 2.857 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSC(C)(C)C ZINC000370172466 289333720 /nfs/dbraw/zinc/33/37/20/289333720.db2.gz KXJBGRZZISFUGP-ILXRZTDVSA-N 2 1 300.512 2.702 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000291990615 289352633 /nfs/dbraw/zinc/35/26/33/289352633.db2.gz BCUIDLSKMWVBBW-CZUORRHYSA-N 2 1 323.868 2.591 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000158945745 290384674 /nfs/dbraw/zinc/38/46/74/290384674.db2.gz SQFUWNIQWKOALR-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)[C@H]1CCC[NH+]1C1CC1 ZINC000437862590 297072550 /nfs/dbraw/zinc/07/25/50/297072550.db2.gz YBQIOQLTOYAEEQ-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000437862590 297072553 /nfs/dbraw/zinc/07/25/53/297072553.db2.gz YBQIOQLTOYAEEQ-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CCC[NH+]1C1CCCCC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000437862590 297072556 /nfs/dbraw/zinc/07/25/56/297072556.db2.gz YBQIOQLTOYAEEQ-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000437855604 297072621 /nfs/dbraw/zinc/07/26/21/297072621.db2.gz YORKRMSGBTVQJI-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000437855604 297072622 /nfs/dbraw/zinc/07/26/22/297072622.db2.gz YORKRMSGBTVQJI-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437855604 297072623 /nfs/dbraw/zinc/07/26/23/297072623.db2.gz YORKRMSGBTVQJI-QZTJIDSGSA-N 2 1 321.509 2.774 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438000903 297076721 /nfs/dbraw/zinc/07/67/21/297076721.db2.gz QOQVDEDHSONNHA-IEBWSBKVSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438000903 297076723 /nfs/dbraw/zinc/07/67/23/297076723.db2.gz QOQVDEDHSONNHA-IEBWSBKVSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000438000903 297076726 /nfs/dbraw/zinc/07/67/26/297076726.db2.gz QOQVDEDHSONNHA-IEBWSBKVSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2)CC1 ZINC000438000903 297076728 /nfs/dbraw/zinc/07/67/28/297076728.db2.gz QOQVDEDHSONNHA-IEBWSBKVSA-N 2 1 317.477 2.795 20 0 DFADMP Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c(=O)n1C ZINC000494481818 299871328 /nfs/dbraw/zinc/87/13/28/299871328.db2.gz IPKYAINLLQVVEG-UHFFFAOYSA-N 2 1 317.477 2.580 20 0 DFADMP Cc1noc(C2CCC([NH2+]CC3([NH+](C)C)CCCC3)CC2)n1 ZINC000494883892 299887134 /nfs/dbraw/zinc/88/71/34/299887134.db2.gz ULZRXNJDLKNUSS-UHFFFAOYSA-N 2 1 306.454 2.868 20 0 DFADMP COc1ccc([C@@H](C)C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278066638 295205255 /nfs/dbraw/zinc/20/52/55/295205255.db2.gz ZCHQKDJLQQXJEG-IRXDYDNUSA-N 2 1 320.477 2.889 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000495347709 299920913 /nfs/dbraw/zinc/92/09/13/299920913.db2.gz MWGBHGJDFIAHGD-CYBMUJFWSA-N 2 1 324.469 2.721 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000156698306 295339611 /nfs/dbraw/zinc/33/96/11/295339611.db2.gz PPUVAZCIAAFYCL-IRXDYDNUSA-N 2 1 312.498 2.527 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CC2(C[N@@H+]3C[C@H](C)C[C@H](C)C3)COC2)C1 ZINC000157329984 295347189 /nfs/dbraw/zinc/34/71/89/295347189.db2.gz PFQFHBYITXJHGN-USTZCAOPSA-N 2 1 308.510 2.959 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2CCC(C)C)CC1 ZINC000158116501 295358958 /nfs/dbraw/zinc/35/89/58/295358958.db2.gz WJZCNBHFJDLARX-SFHVURJKSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@@H]2CCC(C)C)CC1 ZINC000158116329 295358963 /nfs/dbraw/zinc/35/89/63/295358963.db2.gz WJZCNBHFJDLARX-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccccn1 ZINC000158625956 295365225 /nfs/dbraw/zinc/36/52/25/295365225.db2.gz OSLWDFOJYIXHBU-QGZVFWFLSA-N 2 1 304.482 2.540 20 0 DFADMP COCCOCCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000163431424 295422668 /nfs/dbraw/zinc/42/26/68/295422668.db2.gz ZGTUKJYUEIAREK-OAHLLOKOSA-N 2 1 317.433 2.884 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1F ZINC000363685723 295434342 /nfs/dbraw/zinc/43/43/42/295434342.db2.gz ITYZEQULBLTUEN-QWHCGFSZSA-N 2 1 303.381 2.944 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000390801154 295478751 /nfs/dbraw/zinc/47/87/51/295478751.db2.gz OYONFVWERMBTGN-INIZCTEOSA-N 2 1 323.481 2.506 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000411549048 295545879 /nfs/dbraw/zinc/54/58/79/295545879.db2.gz FZICWRNCRMYDST-BZSNNMDCSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000411549585 295546116 /nfs/dbraw/zinc/54/61/16/295546116.db2.gz HNOOHYPIJBTSLG-SQNIBIBYSA-N 2 1 323.525 2.878 20 0 DFADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)c1 ZINC000438203282 297084403 /nfs/dbraw/zinc/08/44/03/297084403.db2.gz ROBSIRYFCBQFQB-HOTGVXAUSA-N 2 1 308.491 2.976 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CC[C@H]3CCOC3)C2)c1 ZINC000438203282 297084404 /nfs/dbraw/zinc/08/44/04/297084404.db2.gz ROBSIRYFCBQFQB-HOTGVXAUSA-N 2 1 308.491 2.976 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCCCC1 ZINC000438568778 297098831 /nfs/dbraw/zinc/09/88/31/297098831.db2.gz QQOGSRDWWUAFDA-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)(CNC(=O)[C@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000438578605 297099766 /nfs/dbraw/zinc/09/97/66/297099766.db2.gz YBYUWIFYULPPEA-QGZVFWFLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H](C(=O)N(C)CC[C@H]1CCCC[NH+]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000440255204 297148940 /nfs/dbraw/zinc/14/89/40/297148940.db2.gz MVLWNKCSHKPPLH-VVLHAWIVSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440255204 297148941 /nfs/dbraw/zinc/14/89/41/297148941.db2.gz MVLWNKCSHKPPLH-VVLHAWIVSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440255204 297148943 /nfs/dbraw/zinc/14/89/43/297148943.db2.gz MVLWNKCSHKPPLH-VVLHAWIVSA-N 2 1 309.498 2.581 20 0 DFADMP CCOc1ccccc1[C@@H](C)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442888134 297210096 /nfs/dbraw/zinc/21/00/96/297210096.db2.gz FBGQJHIKMPEWIZ-MRXNPFEDSA-N 2 1 319.493 2.762 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)cnc21 ZINC000442920137 297211260 /nfs/dbraw/zinc/21/12/60/297211260.db2.gz GLVRAVFPTZWLJL-CQSZACIVSA-N 2 1 301.438 2.573 20 0 DFADMP CCC[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443060871 297214492 /nfs/dbraw/zinc/21/44/92/297214492.db2.gz PXYMRJRIKGUTJA-AEFFLSMTSA-N 2 1 317.477 2.705 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443083537 297215638 /nfs/dbraw/zinc/21/56/38/297215638.db2.gz CVPPGNXPJRXJJE-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000444609498 297241675 /nfs/dbraw/zinc/24/16/75/297241675.db2.gz NDPXGPQCEQEUSF-MRXNPFEDSA-N 2 1 304.478 2.569 20 0 DFADMP CCc1ccccc1CC[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000444609498 297241676 /nfs/dbraw/zinc/24/16/76/297241676.db2.gz NDPXGPQCEQEUSF-MRXNPFEDSA-N 2 1 304.478 2.569 20 0 DFADMP CC[C@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444659199 297243611 /nfs/dbraw/zinc/24/36/11/297243611.db2.gz CNLTWHRKPNTWPT-YJBOKZPZSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000447727919 297314849 /nfs/dbraw/zinc/31/48/49/297314849.db2.gz CULXKNXDQYOUKU-SFHVURJKSA-N 2 1 320.477 2.936 20 0 DFADMP c1cc(C[N@H+]2CC[C@H](Oc3ccncc3)C2)n(-c2ccccc2)n1 ZINC000448342771 297337582 /nfs/dbraw/zinc/33/75/82/297337582.db2.gz GXLZATURJPTDDX-IBGZPJMESA-N 2 1 320.396 2.921 20 0 DFADMP COC(=O)C1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000448524336 297341167 /nfs/dbraw/zinc/34/11/67/297341167.db2.gz HBLYNDAJHYVRQE-CVEARBPZSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)C1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000448524336 297341168 /nfs/dbraw/zinc/34/11/68/297341168.db2.gz HBLYNDAJHYVRQE-CVEARBPZSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)C1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000448524336 297341170 /nfs/dbraw/zinc/34/11/70/297341170.db2.gz HBLYNDAJHYVRQE-CVEARBPZSA-N 2 1 308.466 2.526 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000449034190 297394746 /nfs/dbraw/zinc/39/47/46/297394746.db2.gz INQSAYCPQMJJHI-CQSZACIVSA-N 2 1 316.424 2.610 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)c(-c2ccc(F)cc2)n1 ZINC000449034190 297394748 /nfs/dbraw/zinc/39/47/48/297394748.db2.gz INQSAYCPQMJJHI-CQSZACIVSA-N 2 1 316.424 2.610 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000449036593 297395296 /nfs/dbraw/zinc/39/52/96/297395296.db2.gz KOLJRMBETLQFMY-PBHICJAKSA-N 2 1 307.507 2.514 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CCC[NH+]2CCC(C)CC2)[nH]c1C ZINC000449062292 297399152 /nfs/dbraw/zinc/39/91/52/297399152.db2.gz KZFZJXYBVMNCOZ-UHFFFAOYSA-N 2 1 321.465 2.711 20 0 DFADMP COC[C@](C)(O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449383832 297456294 /nfs/dbraw/zinc/45/62/94/297456294.db2.gz KJYOQVMBXVZVQY-KBXCAEBGSA-N 2 1 317.433 2.619 20 0 DFADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)CCOCC1 ZINC000453053982 298057436 /nfs/dbraw/zinc/05/74/36/298057436.db2.gz BFOVALDXQRZIIH-IRXDYDNUSA-N 2 1 312.498 2.815 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000453122623 298064908 /nfs/dbraw/zinc/06/49/08/298064908.db2.gz YDLWWNQWWZYIAR-IPMKNSEASA-N 2 1 314.473 2.934 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453174779 298068646 /nfs/dbraw/zinc/06/86/46/298068646.db2.gz PAGMJJVZKLPERZ-HSALFYBXSA-N 2 1 313.489 2.725 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453198196 298070632 /nfs/dbraw/zinc/07/06/32/298070632.db2.gz OUTRZNVOWXXHAO-OWCLPIDISA-N 2 1 302.466 2.650 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C)C[NH+](C)C ZINC000453243076 298074903 /nfs/dbraw/zinc/07/49/03/298074903.db2.gz RAZXCJNBFYQAOP-GJZGRUSLSA-N 2 1 300.450 2.935 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453251848 298075231 /nfs/dbraw/zinc/07/52/31/298075231.db2.gz MCGUPHWLPKBFGT-UFYCRDLUSA-N 2 1 324.472 2.985 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc1C ZINC000453469196 298097704 /nfs/dbraw/zinc/09/77/04/298097704.db2.gz ZXSZLKQVMMIHAN-PSBWJHGTSA-N 2 1 304.478 2.525 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000453625925 298106881 /nfs/dbraw/zinc/10/68/81/298106881.db2.gz FPXBIJQOPIUBCJ-CXQPBAHBSA-N 2 1 314.473 2.648 20 0 DFADMP Cc1cc(C)c(CNC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cn1 ZINC000454478470 298181561 /nfs/dbraw/zinc/18/15/61/298181561.db2.gz KKULMJODDVWNTD-IYBDPMFKSA-N 2 1 318.465 2.761 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000495922937 299993679 /nfs/dbraw/zinc/99/36/79/299993679.db2.gz XGBQTYKRWNDSHN-AWEZNQCLSA-N 2 1 322.453 2.569 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496282756 300040569 /nfs/dbraw/zinc/04/05/69/300040569.db2.gz KJIDCCXPXJIZOW-RRFJBIMHSA-N 2 1 311.470 2.506 20 0 DFADMP CC(C)(C)OC(=O)NCC1(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000496473912 300067982 /nfs/dbraw/zinc/06/79/82/300067982.db2.gz WUSSHUSXBGPKKU-UHFFFAOYSA-N 2 1 323.481 2.508 20 0 DFADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000496743008 300107226 /nfs/dbraw/zinc/10/72/26/300107226.db2.gz UEDJHZNOEZLEKU-OAHLLOKOSA-N 2 1 313.486 2.562 20 0 DFADMP CC(C)COC(=O)N1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000496743008 300107229 /nfs/dbraw/zinc/10/72/29/300107229.db2.gz UEDJHZNOEZLEKU-OAHLLOKOSA-N 2 1 313.486 2.562 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496919284 300132977 /nfs/dbraw/zinc/13/29/77/300132977.db2.gz KMEHKFUJFOUVHA-ZFWWWQNUSA-N 2 1 305.422 2.667 20 0 DFADMP COC(=O)N1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000496955019 300137829 /nfs/dbraw/zinc/13/78/29/300137829.db2.gz KPKZHDWNASFFBA-QGZVFWFLSA-N 2 1 323.481 2.604 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000497076291 300157494 /nfs/dbraw/zinc/15/74/94/300157494.db2.gz KXBKNXHKIUXUJJ-RBSFLKMASA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000497076291 300157496 /nfs/dbraw/zinc/15/74/96/300157496.db2.gz KXBKNXHKIUXUJJ-RBSFLKMASA-N 2 1 315.502 2.997 20 0 DFADMP COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCn1cc[nH+]c1C ZINC000499055044 300200581 /nfs/dbraw/zinc/20/05/81/300200581.db2.gz MIMCTDNHMLVINE-DLBZAZTESA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@H]1C[C@H](C2CCCCC2)C[N@H+]1CCn1cc[nH+]c1C ZINC000499055044 300200584 /nfs/dbraw/zinc/20/05/84/300200584.db2.gz MIMCTDNHMLVINE-DLBZAZTESA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000502903419 300218456 /nfs/dbraw/zinc/21/84/56/300218456.db2.gz DEIXDRGWTAFPAC-SQNIBIBYSA-N 2 1 322.493 2.915 20 0 DFADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)CN1CC[C@@H]1CCC[N@H+]1C ZINC000502903416 300218862 /nfs/dbraw/zinc/21/88/62/300218862.db2.gz DEIXDRGWTAFPAC-BZSNNMDCSA-N 2 1 322.493 2.915 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000507489790 300236371 /nfs/dbraw/zinc/23/63/71/300236371.db2.gz YFQSDNRHMQFEPK-SXLOBPIMSA-N 2 1 316.489 2.956 20 0 DFADMP CCC[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000509921080 300243607 /nfs/dbraw/zinc/24/36/07/300243607.db2.gz WUEFIAKGLKZQHB-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000514596337 300261298 /nfs/dbraw/zinc/26/12/98/300261298.db2.gz OBFULUMFPHMTTB-CFVMTHIKSA-N 2 1 321.852 2.695 20 0 DFADMP CC[N@H+](C)C[C@H](O)CN1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869642 300277101 /nfs/dbraw/zinc/27/71/01/300277101.db2.gz CYHSAMOBFJJMAQ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869642 300277102 /nfs/dbraw/zinc/27/71/02/300277102.db2.gz CYHSAMOBFJJMAQ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869642 300277104 /nfs/dbraw/zinc/27/71/04/300277104.db2.gz CYHSAMOBFJJMAQ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869642 300277106 /nfs/dbraw/zinc/27/71/06/300277106.db2.gz CYHSAMOBFJJMAQ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869642 300277108 /nfs/dbraw/zinc/27/71/08/300277108.db2.gz CYHSAMOBFJJMAQ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000514869642 300277110 /nfs/dbraw/zinc/27/71/10/300277110.db2.gz CYHSAMOBFJJMAQ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP Cc1nc2ccc(NC(=O)[C@H]3CCc4cnc(C)n4C3)cc2[nH]1 ZINC000515303802 300299352 /nfs/dbraw/zinc/29/93/52/300299352.db2.gz AIXVYXMDEYYGCQ-LBPRGKRZSA-N 2 1 309.373 2.577 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C1CCC(CO)CC1 ZINC000516604377 300350860 /nfs/dbraw/zinc/35/08/60/300350860.db2.gz TZHJMYBQHBDXLO-UHFFFAOYSA-N 2 1 314.433 2.559 20 0 DFADMP COc1cncc(/C=C/CC[NH2+]C(C)(C)C[NH+]2CCCC2)c1 ZINC000517233539 300388956 /nfs/dbraw/zinc/38/89/56/300388956.db2.gz USJDLYGIDKGWIS-XBXARRHUSA-N 2 1 303.450 2.958 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]Cc2ccsc2)c2cccs2)CC1 ZINC000520190163 300487891 /nfs/dbraw/zinc/48/78/91/300487891.db2.gz KRWAHTZDDSZRGF-HNNXBMFYSA-N 2 1 321.515 2.888 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CCC1 ZINC000525981027 300615580 /nfs/dbraw/zinc/61/55/80/300615580.db2.gz FRWIRGAQALEEKO-GDBMZVCRSA-N 2 1 307.507 2.815 20 0 DFADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000530218304 301030274 /nfs/dbraw/zinc/03/02/74/301030274.db2.gz LMJQBNVUJMATBQ-MJBXVCDLSA-N 2 1 304.425 2.805 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530220090 301031188 /nfs/dbraw/zinc/03/11/88/301031188.db2.gz IMJGQZQFPZWNIP-ZIFCJYIRSA-N 2 1 320.452 2.705 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000530518432 301053344 /nfs/dbraw/zinc/05/33/44/301053344.db2.gz PZWATMDQRKEWDN-SFHVURJKSA-N 2 1 321.428 2.816 20 0 DFADMP COc1cccc2c(NCC[N@@H+]3CCO[C@H](C)C3)cc(C)nc12 ZINC000531694223 301104154 /nfs/dbraw/zinc/10/41/54/301104154.db2.gz MZJBRUQEMYKHAR-CQSZACIVSA-N 2 1 315.417 2.684 20 0 DFADMP COc1cccc2c(NCC[N@H+]3CCO[C@H](C)C3)cc(C)nc12 ZINC000531694223 301104156 /nfs/dbraw/zinc/10/41/56/301104156.db2.gz MZJBRUQEMYKHAR-CQSZACIVSA-N 2 1 315.417 2.684 20 0 DFADMP C[C@@H](NCC[N@@H+]1CC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728470 301106758 /nfs/dbraw/zinc/10/67/58/301106758.db2.gz XPIDXWPYACBTJL-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H](NCC[N@H+]1CC[C@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728470 301106760 /nfs/dbraw/zinc/10/67/60/301106760.db2.gz XPIDXWPYACBTJL-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531956377 301120988 /nfs/dbraw/zinc/12/09/88/301120988.db2.gz BSRHEINAQSEXEW-IYXRBSQSSA-N 2 1 308.388 2.544 20 0 DFADMP C[C@@H]1CC[N@H+](CCN[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000531983585 301123238 /nfs/dbraw/zinc/12/32/38/301123238.db2.gz WTOIVVGYVRFQBJ-LMMKCTJWSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000531983585 301123241 /nfs/dbraw/zinc/12/32/41/301123241.db2.gz WTOIVVGYVRFQBJ-LMMKCTJWSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000531983585 301123247 /nfs/dbraw/zinc/12/32/47/301123247.db2.gz WTOIVVGYVRFQBJ-LMMKCTJWSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000531983585 301123248 /nfs/dbraw/zinc/12/32/48/301123248.db2.gz WTOIVVGYVRFQBJ-LMMKCTJWSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505372 301156817 /nfs/dbraw/zinc/15/68/17/301156817.db2.gz DFFGKRUMMWLPIW-KBPBESRZSA-N 2 1 301.434 2.564 20 0 DFADMP CCc1ccccc1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000532730624 301169051 /nfs/dbraw/zinc/16/90/51/301169051.db2.gz BLGKCSBPZSGPKM-UHFFFAOYSA-N 2 1 324.428 2.648 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000535087303 301248416 /nfs/dbraw/zinc/24/84/16/301248416.db2.gz JMHBHSGDNBIYNT-ROUUACIJSA-N 2 1 307.526 2.915 20 0 DFADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)s1 ZINC000535085989 301248540 /nfs/dbraw/zinc/24/85/40/301248540.db2.gz DLLHHOPUCPIHIB-CQSZACIVSA-N 2 1 310.507 2.835 20 0 DFADMP CCC[C@@H]1CN(C[C@@H](C)C[N@@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000536181122 301269968 /nfs/dbraw/zinc/26/99/68/301269968.db2.gz RMQUHYDLTVCMSK-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CCC[C@@H]1CN(C[C@@H](C)C[N@H+]2CCO[C@@H](CCC)C2)CCO1 ZINC000536181122 301269971 /nfs/dbraw/zinc/26/99/71/301269971.db2.gz RMQUHYDLTVCMSK-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CCc1cnc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)o1 ZINC000536589984 301281307 /nfs/dbraw/zinc/28/13/07/301281307.db2.gz GBWARKAEQOGOEX-UHFFFAOYSA-N 2 1 323.481 2.807 20 0 DFADMP CCc1cnc(C[NH+]2CCC(CCC[N@@H+](C)CCOC)CC2)o1 ZINC000536589984 301281308 /nfs/dbraw/zinc/28/13/08/301281308.db2.gz GBWARKAEQOGOEX-UHFFFAOYSA-N 2 1 323.481 2.807 20 0 DFADMP CCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000537619650 301306124 /nfs/dbraw/zinc/30/61/24/301306124.db2.gz GDPGPTGMSQMZFO-MRXNPFEDSA-N 2 1 321.534 2.911 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCCn2c3ccccc3[nH]c2=O)CC[N@@H+]1C ZINC000538619171 301325297 /nfs/dbraw/zinc/32/52/97/301325297.db2.gz KDTPTHRBKLTZBE-CABCVRRESA-N 2 1 316.449 2.547 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCCn2c3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000538619171 301325299 /nfs/dbraw/zinc/32/52/99/301325299.db2.gz KDTPTHRBKLTZBE-CABCVRRESA-N 2 1 316.449 2.547 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCCn2c3ccccc3[nH]c2=O)CC[NH+]1C ZINC000538619171 301325302 /nfs/dbraw/zinc/32/53/02/301325302.db2.gz KDTPTHRBKLTZBE-CABCVRRESA-N 2 1 316.449 2.547 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCn2c3ccccc3[nH]c2=O)CC[NH+]1C ZINC000538619171 301325304 /nfs/dbraw/zinc/32/53/04/301325304.db2.gz KDTPTHRBKLTZBE-CABCVRRESA-N 2 1 316.449 2.547 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539862179 301352800 /nfs/dbraw/zinc/35/28/00/301352800.db2.gz IVEFJPUIZIQDBC-QGZVFWFLSA-N 2 1 322.416 2.641 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@H]2CCCN(C)C2=O)CC1)CC(C)C ZINC000540911442 301375114 /nfs/dbraw/zinc/37/51/14/301375114.db2.gz HONAAAGNABIMEG-SFHVURJKSA-N 2 1 323.525 2.687 20 0 DFADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](CC)[NH+](CC)CC ZINC000545192423 301467501 /nfs/dbraw/zinc/46/75/01/301467501.db2.gz FHVHJPXTJPFUMC-JKSUJKDBSA-N 2 1 320.481 2.557 20 0 DFADMP CC(C)[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1 ZINC000562981178 302020882 /nfs/dbraw/zinc/02/08/82/302020882.db2.gz ZAPOBNOYMFXKOJ-KRWDZBQOSA-N 2 1 313.449 2.759 20 0 DFADMP CC(C)[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccccc1 ZINC000562981179 302020887 /nfs/dbraw/zinc/02/08/87/302020887.db2.gz ZAPOBNOYMFXKOJ-QGZVFWFLSA-N 2 1 313.449 2.759 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1)C1CC1 ZINC000563961197 302112212 /nfs/dbraw/zinc/11/22/12/302112212.db2.gz ZBUNWFDHNQWQHT-UONOGXRCSA-N 2 1 303.450 2.527 20 0 DFADMP Cc1cnn([C@H]2CC[N@@H+](Cc3cn(-c4cc[nH+]cc4)nc3C)C2)c1 ZINC000564539740 302140404 /nfs/dbraw/zinc/14/04/04/302140404.db2.gz BSUKZSAIXRCOFA-SFHVURJKSA-N 2 1 322.416 2.528 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000564775343 302157556 /nfs/dbraw/zinc/15/75/56/302157556.db2.gz DZASPOIDZNLDKL-UHFFFAOYSA-N 2 1 318.465 2.517 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000564958342 302177046 /nfs/dbraw/zinc/17/70/46/302177046.db2.gz GMBRYKBTPKUAMD-QGZVFWFLSA-N 2 1 300.446 2.688 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000564958342 302177048 /nfs/dbraw/zinc/17/70/48/302177048.db2.gz GMBRYKBTPKUAMD-QGZVFWFLSA-N 2 1 300.446 2.688 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1)[NH+]1CC(C)C1 ZINC000565189462 302204790 /nfs/dbraw/zinc/20/47/90/302204790.db2.gz CHCPENWUOAZSQG-HNNXBMFYSA-N 2 1 315.461 2.602 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+]1CC(C)C1 ZINC000565189462 302204793 /nfs/dbraw/zinc/20/47/93/302204793.db2.gz CHCPENWUOAZSQG-HNNXBMFYSA-N 2 1 315.461 2.602 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)C1 ZINC000565424131 302224374 /nfs/dbraw/zinc/22/43/74/302224374.db2.gz YXGWRJBXBZTCJL-HNAYVOBHSA-N 2 1 315.461 2.999 20 0 DFADMP CC[C@H](CN[C@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000565491836 302227681 /nfs/dbraw/zinc/22/76/81/302227681.db2.gz RVHUEYMUXSVCFU-GBESFXJTSA-N 2 1 301.478 2.683 20 0 DFADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000565653201 302234914 /nfs/dbraw/zinc/23/49/14/302234914.db2.gz GMHAPWBEFYXZFL-GOEBONIOSA-N 2 1 308.491 2.520 20 0 DFADMP Cc1ccc(SC[C@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000565653201 302234918 /nfs/dbraw/zinc/23/49/18/302234918.db2.gz GMHAPWBEFYXZFL-GOEBONIOSA-N 2 1 308.491 2.520 20 0 DFADMP C[C@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000566089479 302258757 /nfs/dbraw/zinc/25/87/57/302258757.db2.gz BBSLXHBMROAYCR-YSVLISHTSA-N 2 1 309.885 2.920 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCCC[C@@H]3O)C1)CCCC2 ZINC000566300327 302276659 /nfs/dbraw/zinc/27/66/59/302276659.db2.gz KEDRGWPWJWIASQ-MDZRGWNJSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CCCC[C@@H]3O)C1)CCCC2 ZINC000566300327 302276661 /nfs/dbraw/zinc/27/66/61/302276661.db2.gz KEDRGWPWJWIASQ-MDZRGWNJSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCCC[C@@H]3O)C1)CCCC2 ZINC000566300327 302276663 /nfs/dbraw/zinc/27/66/63/302276663.db2.gz KEDRGWPWJWIASQ-MDZRGWNJSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCCC[C@@H]3O)C1)CCCC2 ZINC000566300322 302276892 /nfs/dbraw/zinc/27/68/92/302276892.db2.gz KEDRGWPWJWIASQ-FCEWJHQRSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H]3CCCC[C@@H]3O)C1)CCCC2 ZINC000566300322 302276894 /nfs/dbraw/zinc/27/68/94/302276894.db2.gz KEDRGWPWJWIASQ-FCEWJHQRSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CCCC[C@@H]3O)C1)CCCC2 ZINC000566300322 302276896 /nfs/dbraw/zinc/27/68/96/302276896.db2.gz KEDRGWPWJWIASQ-FCEWJHQRSA-N 2 1 317.477 2.868 20 0 DFADMP Oc1cccnc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000566535141 302293316 /nfs/dbraw/zinc/29/33/16/302293316.db2.gz VICQCUXWUWFCDX-MSOLQXFVSA-N 2 1 323.440 2.741 20 0 DFADMP Oc1cccnc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000566535141 302293318 /nfs/dbraw/zinc/29/33/18/302293318.db2.gz VICQCUXWUWFCDX-MSOLQXFVSA-N 2 1 323.440 2.741 20 0 DFADMP Oc1cccnc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000566535141 302293321 /nfs/dbraw/zinc/29/33/21/302293321.db2.gz VICQCUXWUWFCDX-MSOLQXFVSA-N 2 1 323.440 2.741 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406962 302357050 /nfs/dbraw/zinc/35/70/50/302357050.db2.gz XUHPFOZTIJGWQM-ZHALLVOQSA-N 2 1 319.493 2.938 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000567500177 302364276 /nfs/dbraw/zinc/36/42/76/302364276.db2.gz MUMQTUAWVRKFKA-QGZVFWFLSA-N 2 1 301.434 2.534 20 0 DFADMP CCn1c2ccccc2nc1C[N@@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000567638048 302375420 /nfs/dbraw/zinc/37/54/20/302375420.db2.gz BCIRNSPYCZMRLI-KKUMJFAQSA-N 2 1 300.450 2.861 20 0 DFADMP CCn1c2ccccc2nc1C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000567638048 302375423 /nfs/dbraw/zinc/37/54/23/302375423.db2.gz BCIRNSPYCZMRLI-KKUMJFAQSA-N 2 1 300.450 2.861 20 0 DFADMP CC(C)OC[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000567891802 302396791 /nfs/dbraw/zinc/39/67/91/302396791.db2.gz UHKADNULDIOHPX-APWZRJJASA-N 2 1 320.477 2.588 20 0 DFADMP C[C@H](C(=O)NCC1([NH+]2CCCCC2)CCCCC1)[NH+]1CC(C)C1 ZINC000568184752 302426101 /nfs/dbraw/zinc/42/61/01/302426101.db2.gz HQHNVFHZTLHXQC-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP COc1ccc([C@@H]([NH2+]CCc2c[nH+]cn2C)C2CC2)c(F)c1 ZINC000568855057 302478682 /nfs/dbraw/zinc/47/86/82/302478682.db2.gz VPNBHABUEKVFFP-KRWDZBQOSA-N 2 1 303.381 2.851 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000181616398 316064754 /nfs/dbraw/zinc/06/47/54/316064754.db2.gz WHIHQPXGKCRYKE-VVLHAWIVSA-N 2 1 312.498 2.669 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C1CCCC1 ZINC000184947865 316177375 /nfs/dbraw/zinc/17/73/75/316177375.db2.gz POWNLPSXYMPEND-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185683486 316190520 /nfs/dbraw/zinc/19/05/20/316190520.db2.gz UOIVNHOOFXJKDW-CVEARBPZSA-N 2 1 323.525 2.781 20 0 DFADMP C[C@@H]([NH2+]CC(=O)NCCC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185683486 316190526 /nfs/dbraw/zinc/19/05/26/316190526.db2.gz UOIVNHOOFXJKDW-CVEARBPZSA-N 2 1 323.525 2.781 20 0 DFADMP COC[C@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187722229 316213147 /nfs/dbraw/zinc/21/31/47/316213147.db2.gz PDANEQIVQZVQCX-SFHVURJKSA-N 2 1 312.498 2.672 20 0 DFADMP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)N(C)C ZINC000341884906 316310873 /nfs/dbraw/zinc/31/08/73/316310873.db2.gz ILFJPMSITMIPFP-ONIAQPFYSA-N 2 1 319.493 2.616 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000414740392 316644843 /nfs/dbraw/zinc/64/48/43/316644843.db2.gz LFMUYOJJFXMZQU-JKSUJKDBSA-N 3 1 303.450 2.621 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@H]2C[NH3+])c1 ZINC000414789935 316658293 /nfs/dbraw/zinc/65/82/93/316658293.db2.gz GATQNPJHFBCBPT-HZMBPMFUSA-N 2 1 313.239 2.675 20 0 DFADMP Clc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1Br ZINC000414792501 316659092 /nfs/dbraw/zinc/65/90/92/316659092.db2.gz RYKSXAXMXGAZQB-UHFFFAOYSA-N 2 1 303.631 2.944 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[C@H]1C ZINC000449559529 317044756 /nfs/dbraw/zinc/04/47/56/317044756.db2.gz BWVAMNZSKYVHCC-NQMMUZQISA-N 2 1 308.466 2.569 20 0 DFADMP COC1([C@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000453075590 317159056 /nfs/dbraw/zinc/15/90/56/317159056.db2.gz PCNKLRWFXSCYQQ-INIZCTEOSA-N 2 1 312.498 2.815 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453081186 317160695 /nfs/dbraw/zinc/16/06/95/317160695.db2.gz PKKJOVCVBUJUOF-VAMGGRTRSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453081186 317160697 /nfs/dbraw/zinc/16/06/97/317160697.db2.gz PKKJOVCVBUJUOF-VAMGGRTRSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453081186 317160700 /nfs/dbraw/zinc/16/07/00/317160700.db2.gz PKKJOVCVBUJUOF-VAMGGRTRSA-N 2 1 315.505 2.971 20 0 DFADMP CC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1ccncc1 ZINC000453101108 317161978 /nfs/dbraw/zinc/16/19/78/317161978.db2.gz YTUNXAZGLXTZDE-GOSISDBHSA-N 2 1 304.482 2.540 20 0 DFADMP O[C@@]1(C[NH2+][C@H](C2CC2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000453138739 317164149 /nfs/dbraw/zinc/16/41/49/317164149.db2.gz YPOQGUJJIVHOQF-VQTJNVASSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@@]1(C[NH2+][C@H](C2CC2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000453138739 317164150 /nfs/dbraw/zinc/16/41/50/317164150.db2.gz YPOQGUJJIVHOQF-VQTJNVASSA-N 2 1 314.473 2.792 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1ccnn1-c1ccc(F)cc1)C1CC1 ZINC000453594967 317192692 /nfs/dbraw/zinc/19/26/92/317192692.db2.gz IXHGPXLSFCPLRK-UHFFFAOYSA-N 2 1 316.424 2.975 20 0 DFADMP c1cc(C2CC2)ccc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000459294715 317313343 /nfs/dbraw/zinc/31/33/43/317313343.db2.gz CMRBTRISTHPWAT-UHFFFAOYSA-N 2 1 313.489 2.777 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459335906 317319955 /nfs/dbraw/zinc/31/99/55/317319955.db2.gz OYHGLYBMJUFQOW-ZDUSSCGKSA-N 2 1 304.425 2.589 20 0 DFADMP COCCSCCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000488278034 317380127 /nfs/dbraw/zinc/38/01/27/317380127.db2.gz IFHHJTYYPIMKAN-JKSUJKDBSA-N 2 1 314.539 2.999 20 0 DFADMP C[C@@H]1C[C@H]1C[NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000488436966 317392946 /nfs/dbraw/zinc/39/29/46/317392946.db2.gz CNQDKPDLGGPQFA-NZSAHSFTSA-N 2 1 301.478 2.611 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179712 317773724 /nfs/dbraw/zinc/77/37/24/317773724.db2.gz VLNJZUHBDGQIES-DLBZAZTESA-N 2 1 306.425 2.648 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)[C@@H](COC)Cc1ccccc1 ZINC000574766847 318039224 /nfs/dbraw/zinc/03/92/24/318039224.db2.gz TWYNRLXSHWEYMH-LJQANCHMSA-N 2 1 315.461 2.932 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)[C@@H](COC)Cc1ccccc1 ZINC000574766847 318039227 /nfs/dbraw/zinc/03/92/27/318039227.db2.gz TWYNRLXSHWEYMH-LJQANCHMSA-N 2 1 315.461 2.932 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000574868940 318045977 /nfs/dbraw/zinc/04/59/77/318045977.db2.gz FNJUUIMHLQAJML-APWZRJJASA-N 2 1 322.468 2.973 20 0 DFADMP CSc1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)s1 ZINC000575221081 318071065 /nfs/dbraw/zinc/07/10/65/318071065.db2.gz BLLMFSORPUNPGX-UHFFFAOYSA-N 2 1 313.536 2.587 20 0 DFADMP [NH3+]C[C@@H]1c2ccccc2CCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000576108318 318104273 /nfs/dbraw/zinc/10/42/73/318104273.db2.gz WSGBAQKIAGDQJE-QGZVFWFLSA-N 2 1 323.444 2.529 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000576377000 318122548 /nfs/dbraw/zinc/12/25/48/318122548.db2.gz NPGMQEMAIIMHRX-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000576581159 318135710 /nfs/dbraw/zinc/13/57/10/318135710.db2.gz QFNCYEUIAMEFEC-SFHVURJKSA-N 2 1 317.477 2.574 20 0 DFADMP CC[C@@H]([NH2+]CCc1cccc(OC)c1OC)[C@@H]1CCCC[NH2+]1 ZINC000577214438 318178386 /nfs/dbraw/zinc/17/83/86/318178386.db2.gz TUMIKXVOJXMORZ-CVEARBPZSA-N 2 1 306.450 2.757 20 0 DFADMP C[C@@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000577720295 318212331 /nfs/dbraw/zinc/21/23/31/318212331.db2.gz IILVYRXUWDAHSE-VQIMIIECSA-N 2 1 301.478 2.760 20 0 DFADMP CC[C@H](CN[C@H](C)[C@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000577739726 318213881 /nfs/dbraw/zinc/21/38/81/318213881.db2.gz DJKWDVMFEDIZBK-IMFGXOCKSA-N 2 1 315.505 2.801 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000578006903 318231857 /nfs/dbraw/zinc/23/18/57/318231857.db2.gz WZVGZBFWTMMIDB-QRQLOZEOSA-N 2 1 302.462 2.615 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000578006903 318231859 /nfs/dbraw/zinc/23/18/59/318231859.db2.gz WZVGZBFWTMMIDB-QRQLOZEOSA-N 2 1 302.462 2.615 20 0 DFADMP CCOCC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000578435959 318260326 /nfs/dbraw/zinc/26/03/26/318260326.db2.gz ZMTBXNRCIQPRHW-LPHOPBHVSA-N 2 1 320.477 2.589 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000578638810 318274705 /nfs/dbraw/zinc/27/47/05/318274705.db2.gz IPDKPBHEOFWYBR-AAEUAGOBSA-N 2 1 302.340 2.939 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000578638810 318274707 /nfs/dbraw/zinc/27/47/07/318274707.db2.gz IPDKPBHEOFWYBR-AAEUAGOBSA-N 2 1 302.340 2.939 20 0 DFADMP C[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCCC[C@@H]1C ZINC000578728036 318280775 /nfs/dbraw/zinc/28/07/75/318280775.db2.gz WSTVETUAIOCIJS-KBPBESRZSA-N 2 1 316.449 2.674 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000578860638 318290789 /nfs/dbraw/zinc/29/07/89/318290789.db2.gz ZTSNQDCYGPWKCK-FQEVSTJZSA-N 2 1 323.440 2.928 20 0 DFADMP CC(C)C[C@H]([NH3+])CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000579377321 318327592 /nfs/dbraw/zinc/32/75/92/318327592.db2.gz MNOFNPBTEZYBBO-OALUTQOASA-N 2 1 303.494 2.609 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000579610815 318343085 /nfs/dbraw/zinc/34/30/85/318343085.db2.gz LAYALSMSHMDOGD-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)CC[C@H]2C)c2ccccn21 ZINC000579845768 318358209 /nfs/dbraw/zinc/35/82/09/318358209.db2.gz FMUNWLHLCGECBT-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)CC[C@H]2C)c2ccccn21 ZINC000579845768 318358210 /nfs/dbraw/zinc/35/82/10/318358210.db2.gz FMUNWLHLCGECBT-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)c1 ZINC000579928543 318363880 /nfs/dbraw/zinc/36/38/80/318363880.db2.gz LCWJRCBLUVYINN-HZPDHXFCSA-N 2 1 303.450 2.752 20 0 DFADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000580074033 318373668 /nfs/dbraw/zinc/37/36/68/318373668.db2.gz AKFOFURFTIGAJJ-ZACQAIPSSA-N 2 1 309.498 2.522 20 0 DFADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000580157941 318379325 /nfs/dbraw/zinc/37/93/25/318379325.db2.gz FVBLKFSNMKNVEN-UHFFFAOYSA-N 2 1 300.406 2.652 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(Oc2cnccn2)cc1 ZINC000580157941 318379327 /nfs/dbraw/zinc/37/93/27/318379327.db2.gz FVBLKFSNMKNVEN-UHFFFAOYSA-N 2 1 300.406 2.652 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000379616893 323289227 /nfs/dbraw/zinc/28/92/27/323289227.db2.gz DFFIXQBPQJBNDN-XGXHKWSGSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000379616893 323289230 /nfs/dbraw/zinc/28/92/30/323289230.db2.gz DFFIXQBPQJBNDN-XGXHKWSGSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H](NC(=O)OC(C)(C)C)[C@H](C)[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000381524085 323295020 /nfs/dbraw/zinc/29/50/20/323295020.db2.gz YJABHOOPXKAIBL-QMIVOQANSA-N 2 1 313.486 2.606 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753643 323295853 /nfs/dbraw/zinc/29/58/53/323295853.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381753643 323295859 /nfs/dbraw/zinc/29/58/59/323295859.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NC[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381753643 323295867 /nfs/dbraw/zinc/29/58/67/323295867.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753643 323295872 /nfs/dbraw/zinc/29/58/72/323295872.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753643 323295876 /nfs/dbraw/zinc/29/58/76/323295876.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381753643 323295881 /nfs/dbraw/zinc/29/58/81/323295881.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381753643 323295886 /nfs/dbraw/zinc/29/58/86/323295886.db2.gz CMKBTOMMRCJRCF-YSIASYRMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H](NCCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382605853 323301321 /nfs/dbraw/zinc/30/13/21/323301321.db2.gz WUETYESUQZQOEB-AEFFLSMTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382605853 323301323 /nfs/dbraw/zinc/30/13/23/323301323.db2.gz WUETYESUQZQOEB-AEFFLSMTSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382605853 323301326 /nfs/dbraw/zinc/30/13/26/323301326.db2.gz WUETYESUQZQOEB-AEFFLSMTSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1CCN(CC[NH2+]C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000382735029 323302356 /nfs/dbraw/zinc/30/23/56/323302356.db2.gz GWRFPXPVGILFCY-QGZVFWFLSA-N 2 1 303.494 2.971 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@@H]1CCC[NH2+]C1 ZINC000382767250 323302771 /nfs/dbraw/zinc/30/27/71/323302771.db2.gz WUAKCCQSVFFONR-MSOLQXFVSA-N 2 1 301.478 2.582 20 0 DFADMP Clc1cc2c(c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c1)OCC2 ZINC000386831648 323321065 /nfs/dbraw/zinc/32/10/65/323321065.db2.gz RSVWGQIHWJYXIX-OKILXGFUSA-N 2 1 306.837 2.706 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000386803420 323321260 /nfs/dbraw/zinc/32/12/60/323321260.db2.gz CDKXCSZHZLKKOE-ROUUACIJSA-N 2 1 301.478 2.758 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCC1 ZINC000386803420 323321263 /nfs/dbraw/zinc/32/12/63/323321263.db2.gz CDKXCSZHZLKKOE-ROUUACIJSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1Nc1cccc(OCC[NH+](C)C)c1 ZINC000387312453 323323723 /nfs/dbraw/zinc/32/37/23/323323723.db2.gz OJZMSXBRENSXGO-VKJFTORMSA-N 2 1 305.466 2.768 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000388333186 323330282 /nfs/dbraw/zinc/33/02/82/323330282.db2.gz KTJZJFMMHZFNNB-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000580306464 323368001 /nfs/dbraw/zinc/36/80/01/323368001.db2.gz UWESUFXFTSGWMM-PKOBYXMFSA-N 2 1 318.436 2.806 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC=C(c2ccc(F)cc2)CC1)C1CC1 ZINC000580306464 323368003 /nfs/dbraw/zinc/36/80/03/323368003.db2.gz UWESUFXFTSGWMM-PKOBYXMFSA-N 2 1 318.436 2.806 20 0 DFADMP C[N@@H+](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000580419020 323382928 /nfs/dbraw/zinc/38/29/28/323382928.db2.gz OUTRCXKTINLXBW-UHFFFAOYSA-N 2 1 316.449 2.676 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N[C@H](C)CC(C)C)CC2)CC1 ZINC000580447344 323387098 /nfs/dbraw/zinc/38/70/98/323387098.db2.gz FKVVTIDVLWGBHD-MRXNPFEDSA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000580524771 323396023 /nfs/dbraw/zinc/39/60/23/323396023.db2.gz LOLJFWPJELVYGF-SFHVURJKSA-N 2 1 317.477 2.503 20 0 DFADMP Cc1cc(NC(=O)NC(C)(C)C[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000581591608 323544833 /nfs/dbraw/zinc/54/48/33/323544833.db2.gz WWQMJGONVVYLBM-UHFFFAOYSA-N 2 1 315.421 2.639 20 0 DFADMP CSc1ccccc1NC(=O)[C@H](C)[NH+]1CCC(CC[NH3+])CC1 ZINC000582971357 323773027 /nfs/dbraw/zinc/77/30/27/323773027.db2.gz YIIRJSJVQPPHOR-ZDUSSCGKSA-N 2 1 321.490 2.796 20 0 DFADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000584285530 332212866 /nfs/dbraw/zinc/21/28/66/332212866.db2.gz BBUMQSQBPDOFFB-KRWDZBQOSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@@H]1C[N@H+]([C@H](Cc2ccccn2)c2cccnc2)C[C@@]1(C)C[NH3+] ZINC000584464015 337343505 /nfs/dbraw/zinc/34/35/05/337343505.db2.gz IOJVIXKLJHOHAS-ATZDWAIDSA-N 2 1 310.445 2.677 20 0 DFADMP CC[C@@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584469631 337344980 /nfs/dbraw/zinc/34/49/80/337344980.db2.gz ORKZRUXGOGDLNS-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584469631 337344981 /nfs/dbraw/zinc/34/49/81/337344981.db2.gz ORKZRUXGOGDLNS-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3[nH]ccc3c2)CC1 ZINC000584508039 337352505 /nfs/dbraw/zinc/35/25/05/337352505.db2.gz NMKSPRHSZSVMFM-UHFFFAOYSA-N 2 1 314.477 2.531 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]C2CC3(CCC3)C2)c2cccs2)CC1 ZINC000584515185 337352950 /nfs/dbraw/zinc/35/29/50/337352950.db2.gz FWVSDRCTAUMRFY-MRXNPFEDSA-N 2 1 319.518 2.959 20 0 DFADMP Cc1nc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)[nH]c1C ZINC000584665912 337381059 /nfs/dbraw/zinc/38/10/59/337381059.db2.gz DGWBRMOGQDPXPW-UHFFFAOYSA-N 2 1 316.449 2.647 20 0 DFADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309794245 533838155 /nfs/dbraw/zinc/83/81/55/533838155.db2.gz POMUQQPIPJLNTM-FXAWDEMLSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309794245 533838161 /nfs/dbraw/zinc/83/81/61/533838161.db2.gz POMUQQPIPJLNTM-FXAWDEMLSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]CCC(C)(C)CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294736425 533840701 /nfs/dbraw/zinc/84/07/01/533840701.db2.gz GTAZPDPNQLCMIB-WMZOPIPTSA-N 2 1 304.478 2.895 20 0 DFADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+](C)C)cc(Cl)c1OC ZINC000312912954 533879018 /nfs/dbraw/zinc/87/90/18/533879018.db2.gz BNDXCDHBOLZBRR-LLVKDONJSA-N 2 1 300.830 2.645 20 0 DFADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCC2)C[N@@H+]1Cc1ccccc1 ZINC000309879444 533943735 /nfs/dbraw/zinc/94/37/35/533943735.db2.gz YQNOEBFAVBGANP-AEFFLSMTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NCC2([NH+](C)C)CCC2)C[N@H+]1Cc1ccccc1 ZINC000309879444 533943742 /nfs/dbraw/zinc/94/37/42/533943742.db2.gz YQNOEBFAVBGANP-AEFFLSMTSA-N 2 1 301.478 2.723 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000365154888 519633383 /nfs/dbraw/zinc/63/33/83/519633383.db2.gz IDCNSYRJPPGWSA-IRXDYDNUSA-N 2 1 302.466 2.643 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000365154888 519633387 /nfs/dbraw/zinc/63/33/87/519633387.db2.gz IDCNSYRJPPGWSA-IRXDYDNUSA-N 2 1 302.466 2.643 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CCO[C@@H]3C3CC3)CC2)cc1 ZINC000323234431 534487887 /nfs/dbraw/zinc/48/78/87/534487887.db2.gz CPJRMQHEWSMTAM-VQTJNVASSA-N 2 1 314.473 2.851 20 0 DFADMP CCOC(=O)CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364995186 520637764 /nfs/dbraw/zinc/63/77/64/520637764.db2.gz NYCPKLCYYCPJLV-UHFFFAOYSA-N 2 1 319.449 2.573 20 0 DFADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1 ZINC000364841806 521645872 /nfs/dbraw/zinc/64/58/72/521645872.db2.gz BTEFNBUXEVBABA-RXWCUZMYSA-N 2 1 324.509 2.671 20 0 DFADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000154333688 521828408 /nfs/dbraw/zinc/82/84/08/521828408.db2.gz XTEHSPRGLUKNEJ-VQTJNVASSA-N 2 1 312.457 2.873 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1ccc(F)cn1)CC2)C1CC1 ZINC000365003741 523102711 /nfs/dbraw/zinc/10/27/11/523102711.db2.gz RIODTGPZTDAGTD-CQSZACIVSA-N 2 1 303.425 2.917 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366352796 523848586 /nfs/dbraw/zinc/84/85/86/523848586.db2.gz GAILRDMKFTUKFN-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324708 523978978 /nfs/dbraw/zinc/97/89/78/523978978.db2.gz BAUJMTUHVAAOFL-CJNGLKHVSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC[N@@H+]1C ZINC000154573976 524921930 /nfs/dbraw/zinc/92/19/30/524921930.db2.gz SFGXVQXPKXXCTG-MAUKXSAKSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC[N@H+]1C ZINC000154573976 524921939 /nfs/dbraw/zinc/92/19/39/524921939.db2.gz SFGXVQXPKXXCTG-MAUKXSAKSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cc(N[C@H](C)[C@@H]2C[N@H+](C)CCO2)c2cc(F)ccc2[nH+]1 ZINC000154848864 525300212 /nfs/dbraw/zinc/30/02/12/525300212.db2.gz QNNJVPGHGIVMAQ-PXAZEXFGSA-N 2 1 303.381 2.813 20 0 DFADMP Cc1cc(N[C@H](C)[C@@H]2C[N@@H+](C)CCO2)c2cc(F)ccc2[nH+]1 ZINC000154848864 525300221 /nfs/dbraw/zinc/30/02/21/525300221.db2.gz QNNJVPGHGIVMAQ-PXAZEXFGSA-N 2 1 303.381 2.813 20 0 DFADMP [NH3+]Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)cc1 ZINC000366346715 527251650 /nfs/dbraw/zinc/25/16/50/527251650.db2.gz LVLNQWWYABSQSV-QGZVFWFLSA-N 2 1 315.461 2.672 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000163277336 527399746 /nfs/dbraw/zinc/39/97/46/527399746.db2.gz GFAJRQRYLAUXGJ-KRWDZBQOSA-N 2 1 300.406 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccncc2)C1 ZINC000163277336 527399752 /nfs/dbraw/zinc/39/97/52/527399752.db2.gz GFAJRQRYLAUXGJ-KRWDZBQOSA-N 2 1 300.406 2.520 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]23)C1 ZINC000328297750 527885432 /nfs/dbraw/zinc/88/54/32/527885432.db2.gz WQVCEHPNWLUWGJ-IYWMVGAKSA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000328297750 527885435 /nfs/dbraw/zinc/88/54/35/527885435.db2.gz WQVCEHPNWLUWGJ-IYWMVGAKSA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000328297750 527885439 /nfs/dbraw/zinc/88/54/39/527885439.db2.gz WQVCEHPNWLUWGJ-IYWMVGAKSA-N 2 1 313.489 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000328297750 527885441 /nfs/dbraw/zinc/88/54/41/527885441.db2.gz WQVCEHPNWLUWGJ-IYWMVGAKSA-N 2 1 313.489 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000328297750 527885442 /nfs/dbraw/zinc/88/54/42/527885442.db2.gz WQVCEHPNWLUWGJ-IYWMVGAKSA-N 2 1 313.489 2.581 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCCCC2 ZINC000305805390 528097495 /nfs/dbraw/zinc/09/74/95/528097495.db2.gz ZAOBUACOCKOZNU-MSOLQXFVSA-N 2 1 324.509 2.551 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CCCCn2cc[nH+]c2C)[nH]c1C ZINC000295737215 528169660 /nfs/dbraw/zinc/16/96/60/528169660.db2.gz OQEKLKMEPGAHSP-UHFFFAOYSA-N 2 1 318.421 2.575 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000292873577 528635609 /nfs/dbraw/zinc/63/56/09/528635609.db2.gz HVRIRYUBDXQWGB-OGWHTMIXSA-N 2 1 304.478 2.750 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309749463 528969079 /nfs/dbraw/zinc/96/90/79/528969079.db2.gz YZHMLDBARHFWCA-JQHSSLGASA-N 2 1 317.477 2.531 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCOCC)CC1 ZINC000354753363 534934167 /nfs/dbraw/zinc/93/41/67/534934167.db2.gz WBEJPLORQQOTNO-UHFFFAOYSA-N 2 1 319.493 2.687 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361581701 535324080 /nfs/dbraw/zinc/32/40/80/535324080.db2.gz KBEUQWQTRNXSKH-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)c(Cl)c2)CC1 ZINC000262368737 535458124 /nfs/dbraw/zinc/45/81/24/535458124.db2.gz XIFPVTKKIHCDRI-UHFFFAOYSA-N 2 1 323.868 2.908 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(C)cc2C)CC1 ZINC000262327321 535458663 /nfs/dbraw/zinc/45/86/63/535458663.db2.gz RYXAXXLMTOQUBR-UHFFFAOYSA-N 2 1 303.450 2.563 20 0 DFADMP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)C[N@@H+](C)C(C)C ZINC000354532694 535528351 /nfs/dbraw/zinc/52/83/51/535528351.db2.gz KNTMNSLAGNCXBB-UHFFFAOYSA-N 2 1 319.493 2.697 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000170915558 535548288 /nfs/dbraw/zinc/54/82/88/535548288.db2.gz PMPULUNCFLUGQH-MRXNPFEDSA-N 2 1 317.477 2.629 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)ccn1 ZINC000362724668 536767955 /nfs/dbraw/zinc/76/79/55/536767955.db2.gz KUVHOLKMVWIUPX-MRXNPFEDSA-N 2 1 312.417 2.728 20 0 DFADMP COCCC1([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCC1 ZINC000355488958 536866024 /nfs/dbraw/zinc/86/60/24/536866024.db2.gz WCMQQKLKMCLIRX-UHFFFAOYSA-N 2 1 323.506 2.958 20 0 DFADMP COCCC1([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCC1 ZINC000355488958 536866029 /nfs/dbraw/zinc/86/60/29/536866029.db2.gz WCMQQKLKMCLIRX-UHFFFAOYSA-N 2 1 323.506 2.958 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1Br ZINC000261543289 536901836 /nfs/dbraw/zinc/90/18/36/536901836.db2.gz CTDYBSQEMCFOII-UTLUCORTSA-N 2 1 301.228 2.844 20 0 DFADMP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000681451756 545641940 /nfs/dbraw/zinc/64/19/40/545641940.db2.gz ZXDZJOHAGMYCEX-KZNAEPCWSA-N 2 1 323.525 2.734 20 0 DFADMP OCC[C@@H]1CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000681753570 545716646 /nfs/dbraw/zinc/71/66/46/545716646.db2.gz HQFKTRPGXPOESP-SFHVURJKSA-N 2 1 318.461 2.508 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1nc3c(s1)CCCC3)C2 ZINC000681915572 545752868 /nfs/dbraw/zinc/75/28/68/545752868.db2.gz NMPWPEZMAAKYGM-LBPRGKRZSA-N 2 1 302.447 2.571 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2CCc3ccccc32)CC1 ZINC000682073653 545788664 /nfs/dbraw/zinc/78/86/64/545788664.db2.gz VRAHBIDAEGEJBS-DNVCBOLYSA-N 2 1 302.462 2.699 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000682379461 545834749 /nfs/dbraw/zinc/83/47/49/545834749.db2.gz AOWCFVJHLFFTRG-MLQJFRMTSA-N 2 1 304.438 2.783 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000682379461 545834753 /nfs/dbraw/zinc/83/47/53/545834753.db2.gz AOWCFVJHLFFTRG-MLQJFRMTSA-N 2 1 304.438 2.783 20 0 DFADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682777819 545913837 /nfs/dbraw/zinc/91/38/37/545913837.db2.gz SKYQGEFUCOIPPY-SFNKJDCFSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682777819 545913840 /nfs/dbraw/zinc/91/38/40/545913840.db2.gz SKYQGEFUCOIPPY-SFNKJDCFSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000682777819 545913843 /nfs/dbraw/zinc/91/38/43/545913843.db2.gz SKYQGEFUCOIPPY-SFNKJDCFSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000682777819 545913848 /nfs/dbraw/zinc/91/38/48/545913848.db2.gz SKYQGEFUCOIPPY-SFNKJDCFSA-N 2 1 304.478 2.846 20 0 DFADMP Cc1ccc(C[N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)nc1 ZINC000682788381 545916400 /nfs/dbraw/zinc/91/64/00/545916400.db2.gz WIYHZDXVAIGZNS-UHFFFAOYSA-N 2 1 313.445 2.962 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000683164603 545982744 /nfs/dbraw/zinc/98/27/44/545982744.db2.gz LMGUFTQFCCKDGF-OAHLLOKOSA-N 2 1 308.491 2.954 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)cnc21 ZINC000683471698 546039603 /nfs/dbraw/zinc/03/96/03/546039603.db2.gz ZZVVYEIEEZSMHZ-AWEZNQCLSA-N 2 1 324.432 2.561 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000684112696 546153500 /nfs/dbraw/zinc/15/35/00/546153500.db2.gz XQIYPHKOZVVPLW-YYIAUSFCSA-N 2 1 302.466 2.663 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000684368802 546202314 /nfs/dbraw/zinc/20/23/14/546202314.db2.gz UNECMINJTYXZRF-RTBURBONSA-N 2 1 302.462 2.982 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000684368802 546202318 /nfs/dbraw/zinc/20/23/18/546202318.db2.gz UNECMINJTYXZRF-RTBURBONSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C2CC2)O1 ZINC000684411140 546211820 /nfs/dbraw/zinc/21/18/20/546211820.db2.gz AQEBCJPTIABBDS-KXBFYZLASA-N 2 1 318.461 2.626 20 0 DFADMP CC(C)C[N@H+]1CCO[C@@H](CNc2cc[nH+]c3c(O)cccc23)C1 ZINC000684565877 546244790 /nfs/dbraw/zinc/24/47/90/546244790.db2.gz MYBSNAGMQKDLOD-AWEZNQCLSA-N 2 1 315.417 2.709 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000684955324 546308083 /nfs/dbraw/zinc/30/80/83/546308083.db2.gz LCEOIKFROMBFFK-SOLBZPMBSA-N 2 1 317.477 2.938 20 0 DFADMP COc1cc(C)c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000685465392 546357126 /nfs/dbraw/zinc/35/71/26/546357126.db2.gz OOLSXQYDFHUGBE-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c(C)n1 ZINC000685465392 546357131 /nfs/dbraw/zinc/35/71/31/546357131.db2.gz OOLSXQYDFHUGBE-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471117 546357825 /nfs/dbraw/zinc/35/78/25/546357825.db2.gz NCIFZMROXMLMNM-LZLYRXPVSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471117 546357827 /nfs/dbraw/zinc/35/78/27/546357827.db2.gz NCIFZMROXMLMNM-LZLYRXPVSA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCOc3ccccc32)C1 ZINC000685471117 546357829 /nfs/dbraw/zinc/35/78/29/546357829.db2.gz NCIFZMROXMLMNM-LZLYRXPVSA-N 2 1 300.446 2.969 20 0 DFADMP C[N@@H+](Cc1nc2cc(F)ccc2o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577385 546370398 /nfs/dbraw/zinc/37/03/98/546370398.db2.gz NSSXKXJVBGDSHC-GFCCVEGCSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](Cc1nc2cc(F)ccc2o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577385 546370403 /nfs/dbraw/zinc/37/04/03/546370403.db2.gz NSSXKXJVBGDSHC-GFCCVEGCSA-N 2 1 314.364 2.858 20 0 DFADMP C1COC[C@H]([NH+]2CCC[C@@]3(CCC[N@H+]([C@H]4CCCOC4)C3)C2)C1 ZINC000685593190 546373301 /nfs/dbraw/zinc/37/33/01/546373301.db2.gz LFGNJWCOVDPQHT-CEXWTWQISA-N 2 1 322.493 2.522 20 0 DFADMP C1COC[C@H]([N@@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CCCOC4)C3)C2)C1 ZINC000685593190 546373304 /nfs/dbraw/zinc/37/33/04/546373304.db2.gz LFGNJWCOVDPQHT-CEXWTWQISA-N 2 1 322.493 2.522 20 0 DFADMP C1COC[C@H]([N@H+]2CCC[C@@]3(CCC[NH+]([C@H]4CCCOC4)C3)C2)C1 ZINC000685593190 546373308 /nfs/dbraw/zinc/37/33/08/546373308.db2.gz LFGNJWCOVDPQHT-CEXWTWQISA-N 2 1 322.493 2.522 20 0 DFADMP CC(C)(C)c1ccc(CC[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000685841143 546396947 /nfs/dbraw/zinc/39/69/47/546396947.db2.gz AASZIZIXKHNTAL-UHFFFAOYSA-N 2 1 304.478 2.573 20 0 DFADMP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000278524414 214210424 /nfs/dbraw/zinc/21/04/24/214210424.db2.gz QSGZBAFTRMMXLU-LSDHHAIUSA-N 2 1 314.882 2.869 20 0 DFADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000278575567 214248140 /nfs/dbraw/zinc/24/81/40/214248140.db2.gz XYFDAKLEINNCSN-INIZCTEOSA-N 2 1 324.440 2.551 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278628125 214287251 /nfs/dbraw/zinc/28/72/51/214287251.db2.gz FEEQGDZPXREFJZ-INIZCTEOSA-N 2 1 323.799 2.763 20 0 DFADMP c1nc(C2CC2)ncc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000459305839 299078278 /nfs/dbraw/zinc/07/82/78/299078278.db2.gz QVWVUEQLLNLAGR-UHFFFAOYSA-N 2 1 300.450 2.662 20 0 DFADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591906977 398349390 /nfs/dbraw/zinc/34/93/90/398349390.db2.gz WUWIEXJWQWUUEW-HOCLYGCPSA-N 2 1 306.454 2.523 20 0 DFADMP CCCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591906977 398349391 /nfs/dbraw/zinc/34/93/91/398349391.db2.gz WUWIEXJWQWUUEW-HOCLYGCPSA-N 2 1 306.454 2.523 20 0 DFADMP CCCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591906977 398349395 /nfs/dbraw/zinc/34/93/95/398349395.db2.gz WUWIEXJWQWUUEW-HOCLYGCPSA-N 2 1 306.454 2.523 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591907205 398350680 /nfs/dbraw/zinc/35/06/80/398350680.db2.gz YYGMCJKNPGCXKJ-OFQRWUPVSA-N 2 1 306.454 2.522 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591907205 398350684 /nfs/dbraw/zinc/35/06/84/398350684.db2.gz YYGMCJKNPGCXKJ-OFQRWUPVSA-N 2 1 306.454 2.522 20 0 DFADMP CCC[N@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000081481464 398351954 /nfs/dbraw/zinc/35/19/54/398351954.db2.gz WCQYLMZCXMVKNW-MRXNPFEDSA-N 2 1 320.481 2.587 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000081481464 398351956 /nfs/dbraw/zinc/35/19/56/398351956.db2.gz WCQYLMZCXMVKNW-MRXNPFEDSA-N 2 1 320.481 2.587 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]21 ZINC000228472621 398353732 /nfs/dbraw/zinc/35/37/32/398353732.db2.gz SCWRJXHIKDBGHR-OUCADQQQSA-N 2 1 308.809 2.628 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]21 ZINC000228472621 398353737 /nfs/dbraw/zinc/35/37/37/398353737.db2.gz SCWRJXHIKDBGHR-OUCADQQQSA-N 2 1 308.809 2.628 20 0 DFADMP C[N@H+](CC(=O)NCCC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000066041787 398355359 /nfs/dbraw/zinc/35/53/59/398355359.db2.gz UUYDFRVMKPCGDQ-UHFFFAOYSA-N 2 1 317.477 2.501 20 0 DFADMP C[N@@H+](CC(=O)NCCC[NH+]1CCCCCC1)Cc1ccccc1 ZINC000066041787 398355361 /nfs/dbraw/zinc/35/53/61/398355361.db2.gz UUYDFRVMKPCGDQ-UHFFFAOYSA-N 2 1 317.477 2.501 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2cnc3c(c2)c(C)nn3C)CC1 ZINC000236767703 398364744 /nfs/dbraw/zinc/36/47/44/398364744.db2.gz CYUZDNRHLXWWIB-UHFFFAOYSA-N 2 1 315.465 2.631 20 0 DFADMP CCOc1cccc(CNC[C@@H]2CCC[N@@H+]2C)c1OC(F)F ZINC000236939405 398365851 /nfs/dbraw/zinc/36/58/51/398365851.db2.gz BVCWQFNLDKWAHS-ZDUSSCGKSA-N 2 1 314.376 2.871 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH2+]C3CC3)cc2)C1 ZINC000237675752 398372638 /nfs/dbraw/zinc/37/26/38/398372638.db2.gz RWWHWXGGDQHONK-AWEZNQCLSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2cc(F)ccc2n1C ZINC000090044111 185279611 /nfs/dbraw/zinc/27/96/11/185279611.db2.gz UQBVXXCGUDTLJH-UMVBOHGHSA-N 2 1 318.440 2.573 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)C[C@@H]1CCC[C@H]1[NH3+])c1ccccc1Cl ZINC000261745068 282238549 /nfs/dbraw/zinc/23/85/49/282238549.db2.gz MDAJEPCNDIEQCF-APHBMKBZSA-N 2 1 323.868 2.576 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cn3cccnc3n2)cc1 ZINC000459383714 299092607 /nfs/dbraw/zinc/09/26/07/299092607.db2.gz VAXGPJIEPKUURR-UHFFFAOYSA-N 2 1 323.444 2.861 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364156 282248865 /nfs/dbraw/zinc/24/88/65/282248865.db2.gz WRUDCBOIKNMEMT-INDMIFKZSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc3c[nH]nc32)C[C@H](C)O1 ZINC000084018223 398391981 /nfs/dbraw/zinc/39/19/81/398391981.db2.gz DOKDOSSPWWDSFO-GASCZTMLSA-N 2 1 316.449 2.542 20 0 DFADMP Cn1cncc1CC[N@H+]1CC[C@H](Oc2cccc(Cl)c2)C1 ZINC000459394316 299095392 /nfs/dbraw/zinc/09/53/92/299095392.db2.gz SLKYZONKEVSHKK-INIZCTEOSA-N 2 1 305.809 2.769 20 0 DFADMP Cc1ccc(O)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)n1 ZINC000092813084 185343214 /nfs/dbraw/zinc/34/32/14/185343214.db2.gz PQVLYDGFGVDPNQ-OAHLLOKOSA-N 2 1 312.417 2.733 20 0 DFADMP C(Cc1nc2c(s1)CCCC2)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000459420167 299101598 /nfs/dbraw/zinc/10/15/98/299101598.db2.gz VHCOUDPHRRPFFB-UHFFFAOYSA-N 2 1 305.491 2.781 20 0 DFADMP Cc1cccc(N2CCC([NH2+]Cc3cnc(C4CC4)nc3)CC2)[nH+]1 ZINC000459418969 299101638 /nfs/dbraw/zinc/10/16/38/299101638.db2.gz WPMYIHDKWQLUGH-UHFFFAOYSA-N 2 1 323.444 2.816 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)oc1C ZINC000592433598 398425422 /nfs/dbraw/zinc/42/54/22/398425422.db2.gz LIQAUTJDVSTCGJ-HUUCEWRRSA-N 2 1 320.433 2.586 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000316578098 529988266 /nfs/dbraw/zinc/98/82/66/529988266.db2.gz DVJBMYMWOMOLHM-ZDUSSCGKSA-N 2 1 320.462 2.662 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccc(F)cc2)CC1 ZINC000293494359 530050527 /nfs/dbraw/zinc/05/05/27/530050527.db2.gz SDEJQHRDHBVVFR-KDOFPFPSSA-N 2 1 306.425 2.977 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000292951966 530052959 /nfs/dbraw/zinc/05/29/59/530052959.db2.gz AQPVHLQGIIIXHU-IBGZPJMESA-N 2 1 316.489 2.887 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043503 530059951 /nfs/dbraw/zinc/05/99/51/530059951.db2.gz SOTMEHQCTUPZNR-QZTJIDSGSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043503 530059952 /nfs/dbraw/zinc/05/99/52/530059952.db2.gz SOTMEHQCTUPZNR-QZTJIDSGSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043503 530059953 /nfs/dbraw/zinc/05/99/53/530059953.db2.gz SOTMEHQCTUPZNR-QZTJIDSGSA-N 2 1 322.880 2.661 20 0 DFADMP c1cc2[nH+]ccc(NC3CC[NH+]([C@H]4CCOC4)CC3)c2s1 ZINC000089603145 398459167 /nfs/dbraw/zinc/45/91/67/398459167.db2.gz VGXGXFVSTGSRDX-ZDUSSCGKSA-N 2 1 303.431 2.962 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000286750578 219146227 /nfs/dbraw/zinc/14/62/27/219146227.db2.gz YSVDAFRIPWBHNR-UHFFFAOYSA-N 2 1 315.461 2.796 20 0 DFADMP CCCN(CC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811798 398492776 /nfs/dbraw/zinc/49/27/76/398492776.db2.gz WFLKPCIRMMRURK-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000302907765 398495839 /nfs/dbraw/zinc/49/58/39/398495839.db2.gz SXDGTGSHBWTVHE-GOSISDBHSA-N 2 1 312.461 2.751 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000302907765 398495846 /nfs/dbraw/zinc/49/58/46/398495846.db2.gz SXDGTGSHBWTVHE-GOSISDBHSA-N 2 1 312.461 2.751 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1F ZINC000090919625 398497165 /nfs/dbraw/zinc/49/71/65/398497165.db2.gz MFCQEIDEISMXCV-IAGOWNOFSA-N 2 1 305.441 2.604 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(C3CC3)cc2)CC1(C)C ZINC000459529438 299126942 /nfs/dbraw/zinc/12/69/42/299126942.db2.gz LZHKBCLLVQSTGT-UHFFFAOYSA-N 2 1 301.478 2.680 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181834293 199359126 /nfs/dbraw/zinc/35/91/26/199359126.db2.gz RZPKWAIMSBLXCG-SJLPKXTDSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181834293 199359128 /nfs/dbraw/zinc/35/91/28/199359128.db2.gz RZPKWAIMSBLXCG-SJLPKXTDSA-N 2 1 305.466 2.617 20 0 DFADMP CC[C@H](CCO)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272672862 210077668 /nfs/dbraw/zinc/07/76/68/210077668.db2.gz QCCPTAHFAUVMTJ-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000314779803 398520906 /nfs/dbraw/zinc/52/09/06/398520906.db2.gz UWIVPFHAGAUPSM-CYBMUJFWSA-N 2 1 300.406 2.662 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000314779807 398521941 /nfs/dbraw/zinc/52/19/41/398521941.db2.gz UWIVPFHAGAUPSM-ZDUSSCGKSA-N 2 1 300.406 2.662 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)cc2C)CC1 ZINC000414082999 295765316 /nfs/dbraw/zinc/76/53/16/295765316.db2.gz WOQSRWAMQACUPH-HNNXBMFYSA-N 2 1 306.450 2.765 20 0 DFADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000323835428 398561523 /nfs/dbraw/zinc/56/15/23/398561523.db2.gz ROCRYRSEYDXDMQ-AEFFLSMTSA-N 2 1 309.457 2.880 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000323689594 398560900 /nfs/dbraw/zinc/56/09/00/398560900.db2.gz RFFWHRXCSQLCHE-GOSISDBHSA-N 2 1 323.525 2.863 20 0 DFADMP CC(C)[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1)[NH+](C)C ZINC000279820343 215174685 /nfs/dbraw/zinc/17/46/85/215174685.db2.gz ABZVLHWTNCVOAK-HNNXBMFYSA-N 2 1 311.857 2.926 20 0 DFADMP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000597152675 398576908 /nfs/dbraw/zinc/57/69/08/398576908.db2.gz CBDBHYIANAUPDO-UONOGXRCSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)CN(Cc2cnc3n2CCC3)C1 ZINC000597152675 398576912 /nfs/dbraw/zinc/57/69/12/398576912.db2.gz CBDBHYIANAUPDO-UONOGXRCSA-N 2 1 319.449 2.629 20 0 DFADMP Cc1ncc(C[N@@H+]2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)n1C ZINC000597154134 398576989 /nfs/dbraw/zinc/57/69/89/398576989.db2.gz OXNFPHXAXLQGTK-GXTWGEPZSA-N 2 1 307.438 2.671 20 0 DFADMP Cc1ncc(CN2C[C@H](C(=O)OC(C)(C)C)CC[C@@H]2C)n1C ZINC000597154134 398576991 /nfs/dbraw/zinc/57/69/91/398576991.db2.gz OXNFPHXAXLQGTK-GXTWGEPZSA-N 2 1 307.438 2.671 20 0 DFADMP CC(C)C[C@@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000589860943 398580610 /nfs/dbraw/zinc/58/06/10/398580610.db2.gz SBAMQIYLDZHFJF-OAHLLOKOSA-N 2 1 318.465 2.844 20 0 DFADMP CC[N@H+](CC(=O)NC1CCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999474 398589747 /nfs/dbraw/zinc/58/97/47/398589747.db2.gz KKZCWCMSCOAGGG-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CC[N@@H+](CC(=O)NC1CCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999474 398589749 /nfs/dbraw/zinc/58/97/49/398589749.db2.gz KKZCWCMSCOAGGG-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CSC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000590028588 398591548 /nfs/dbraw/zinc/59/15/48/398591548.db2.gz VCVAQKUOJPJGAN-ROUUACIJSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000590028588 398591551 /nfs/dbraw/zinc/59/15/51/398591551.db2.gz VCVAQKUOJPJGAN-ROUUACIJSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000590028588 398591554 /nfs/dbraw/zinc/59/15/54/398591554.db2.gz VCVAQKUOJPJGAN-ROUUACIJSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000590028588 398591557 /nfs/dbraw/zinc/59/15/57/398591557.db2.gz VCVAQKUOJPJGAN-ROUUACIJSA-N 2 1 322.518 2.554 20 0 DFADMP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(C(=O)OC)co1 ZINC000593323121 398599624 /nfs/dbraw/zinc/59/96/24/398599624.db2.gz QARPLVCKNXGABG-GFCCVEGCSA-N 2 1 302.374 2.636 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1cccc(F)c1 ZINC000150749919 186062920 /nfs/dbraw/zinc/06/29/20/186062920.db2.gz DUYOHLORNNFUDQ-HNNXBMFYSA-N 2 1 319.424 2.572 20 0 DFADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)Nc1ccccc1F ZINC000150751865 186063802 /nfs/dbraw/zinc/06/38/02/186063802.db2.gz KJCJLRZEVHDFDA-OAHLLOKOSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+](C)C[C@H](N[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000287149281 219343921 /nfs/dbraw/zinc/34/39/21/219343921.db2.gz SRHRVTAQEBAUFN-KSZLIROESA-N 2 1 305.441 2.645 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000287142899 219340669 /nfs/dbraw/zinc/34/06/69/219340669.db2.gz SJGDONZJYHQZQP-MZMPZRCHSA-N 2 1 305.441 2.643 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H](C[NH+](C)C)c2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000287142899 219340672 /nfs/dbraw/zinc/34/06/72/219340672.db2.gz SJGDONZJYHQZQP-MZMPZRCHSA-N 2 1 305.441 2.643 20 0 DFADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO)Cc1ccccc1 ZINC000152546651 186083669 /nfs/dbraw/zinc/08/36/69/186083669.db2.gz QJKHCNMMJLSEMN-IEBWSBKVSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH2+]Cc3cc[nH]c3)cc2)C[C@H](C)O1 ZINC000175696052 186189667 /nfs/dbraw/zinc/18/96/67/186189667.db2.gz HXCHGUPZABSXBM-IYBDPMFKSA-N 2 1 313.445 2.914 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000174649317 535146560 /nfs/dbraw/zinc/14/65/60/535146560.db2.gz DCOZJNRMOOIQDE-CALCHBBNSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccs1 ZINC000261924774 535152358 /nfs/dbraw/zinc/15/23/58/535152358.db2.gz KYGQDKJGHVWEEA-RRFJBIMHSA-N 2 1 308.491 2.772 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739295 186373476 /nfs/dbraw/zinc/37/34/76/186373476.db2.gz CQVKKUVMAMTAAL-VQIMIIECSA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268746023 186376195 /nfs/dbraw/zinc/37/61/95/186376195.db2.gz ASPFXPKJBZQZGK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268746023 186376197 /nfs/dbraw/zinc/37/61/97/186376197.db2.gz ASPFXPKJBZQZGK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268746023 186376199 /nfs/dbraw/zinc/37/61/99/186376199.db2.gz ASPFXPKJBZQZGK-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000280046108 215336586 /nfs/dbraw/zinc/33/65/86/215336586.db2.gz JGMZKSIPPUIARK-ISARSNTHSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000280046108 215336590 /nfs/dbraw/zinc/33/65/90/215336590.db2.gz JGMZKSIPPUIARK-ISARSNTHSA-N 2 1 302.462 2.912 20 0 DFADMP COCCOc1cccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459734891 299176603 /nfs/dbraw/zinc/17/66/03/299176603.db2.gz OTSODPQWMRDQTN-INIZCTEOSA-N 2 1 306.450 2.533 20 0 DFADMP CC(C)n1ncnc1CNCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379632684 398658927 /nfs/dbraw/zinc/65/89/27/398658927.db2.gz NWBNTJVBOGSNFH-INIZCTEOSA-N 2 1 315.465 2.859 20 0 DFADMP COc1ccccc1C[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414881227 295829765 /nfs/dbraw/zinc/82/97/65/295829765.db2.gz RCAAUDXKHZMQJJ-INIZCTEOSA-N 2 1 313.445 2.791 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414898939 295831826 /nfs/dbraw/zinc/83/18/26/295831826.db2.gz BBBJBEQPZFBVDK-GFCCVEGCSA-N 2 1 300.349 2.528 20 0 DFADMP COc1sc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000414928360 295836234 /nfs/dbraw/zinc/83/62/34/295836234.db2.gz AVBZGXSJUAFHNG-IUCAKERBSA-N 2 1 319.268 2.749 20 0 DFADMP COc1cccc(C[C@H]([NH2+]C[C@@H](C2CC2)[NH+](C)C)C2CC2)c1 ZINC000121107068 282802448 /nfs/dbraw/zinc/80/24/48/282802448.db2.gz MKVNCKCTFGVFAA-OALUTQOASA-N 2 1 302.462 2.946 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[NH2+]1 ZINC000414949880 295839129 /nfs/dbraw/zinc/83/91/29/295839129.db2.gz NWFRGOKSXUVLPJ-YPMHNXCESA-N 2 1 302.340 2.858 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414956695 295840543 /nfs/dbraw/zinc/84/05/43/295840543.db2.gz NQXOZQDXFIJDRN-RISCZKNCSA-N 2 1 312.841 2.835 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1 ZINC000414961873 295841656 /nfs/dbraw/zinc/84/16/56/295841656.db2.gz ZGMOQGCMAVIGKZ-JQWIXIFHSA-N 2 1 300.349 2.527 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786150 398673637 /nfs/dbraw/zinc/67/36/37/398673637.db2.gz DAKJPYLYUNYAPM-INIZCTEOSA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000590787000 398674336 /nfs/dbraw/zinc/67/43/36/398674336.db2.gz QCHMZFZLTIUVKV-IRXDYDNUSA-N 2 1 323.525 2.543 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2NC(=O)OC(C)(C)C)CC1 ZINC000121989541 282822199 /nfs/dbraw/zinc/82/21/99/282822199.db2.gz OOYLWKQUTDOOFU-HUUCEWRRSA-N 2 1 311.470 2.506 20 0 DFADMP CCOc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172844421 198157285 /nfs/dbraw/zinc/15/72/85/198157285.db2.gz SGNAVPHLYMNUOK-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000172844421 198157287 /nfs/dbraw/zinc/15/72/87/198157287.db2.gz SGNAVPHLYMNUOK-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000172844421 198157288 /nfs/dbraw/zinc/15/72/88/198157288.db2.gz SGNAVPHLYMNUOK-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000172844421 198157291 /nfs/dbraw/zinc/15/72/91/198157291.db2.gz SGNAVPHLYMNUOK-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415001559 295846073 /nfs/dbraw/zinc/84/60/73/295846073.db2.gz MMYNPAYFXWWFOY-JSGCOSHPSA-N 2 1 300.368 2.981 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC000415002185 295846165 /nfs/dbraw/zinc/84/61/65/295846165.db2.gz NJMKPAUMASVCSR-YYRQZUAOSA-N 2 1 302.315 2.812 20 0 DFADMP FC(F)(F)C1CCC([NH2+]C[C@H]2CC[NH2+]CC2(F)F)CC1 ZINC000415008377 295846598 /nfs/dbraw/zinc/84/65/98/295846598.db2.gz VXGOSBSTTAXMRK-HSOILSAZSA-N 2 1 300.315 2.942 20 0 DFADMP CCOc1cc(C[NH2+][C@@H](C)[C@@H](C)[NH3+])ccc1OCC(F)(F)F ZINC000415008275 295846796 /nfs/dbraw/zinc/84/67/96/295846796.db2.gz DNVZVWKVTXMJHS-MNOVXSKESA-N 2 1 320.355 2.852 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073477752 398682849 /nfs/dbraw/zinc/68/28/49/398682849.db2.gz OHJRXXWUWNNFIK-HNNXBMFYSA-N 2 1 324.428 2.897 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1O ZINC000415043710 295850600 /nfs/dbraw/zinc/85/06/00/295850600.db2.gz BAZPFEIXNIGGKZ-BBRMVZONSA-N 2 1 306.450 2.829 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000173362978 198207667 /nfs/dbraw/zinc/20/76/67/198207667.db2.gz WPJMMBJIZJLZQT-GDBMZVCRSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000173362978 198207668 /nfs/dbraw/zinc/20/76/68/198207668.db2.gz WPJMMBJIZJLZQT-GDBMZVCRSA-N 2 1 306.450 2.914 20 0 DFADMP CCOC(=O)CC[N@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396860 198210526 /nfs/dbraw/zinc/21/05/26/198210526.db2.gz PXUSOOYTCXSKQX-UHFFFAOYSA-N 2 1 304.434 2.536 20 0 DFADMP CCOC(=O)CC[N@@H+](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC000173396860 198210528 /nfs/dbraw/zinc/21/05/28/198210528.db2.gz PXUSOOYTCXSKQX-UHFFFAOYSA-N 2 1 304.434 2.536 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173494708 198220705 /nfs/dbraw/zinc/22/07/05/198220705.db2.gz ZWTSSPVANFKOJH-KRWDZBQOSA-N 2 1 315.461 2.741 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)cs1 ZINC000401760143 398688079 /nfs/dbraw/zinc/68/80/79/398688079.db2.gz ULUVBBLJJHFBAJ-UHFFFAOYSA-N 2 1 300.225 2.576 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1sccc1Br ZINC000401746442 398688094 /nfs/dbraw/zinc/68/80/94/398688094.db2.gz KRBMIZNBYLDIBE-UHFFFAOYSA-N 2 1 300.225 2.576 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415070861 295854518 /nfs/dbraw/zinc/85/45/18/295854518.db2.gz VREHCFFPAOYZHS-FZKQIMNGSA-N 2 1 300.450 2.991 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Br)cc1F ZINC000401755846 398688530 /nfs/dbraw/zinc/68/85/30/398688530.db2.gz DTQZBQSIVYRIJB-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277117037 213303877 /nfs/dbraw/zinc/30/38/77/213303877.db2.gz HNVRJOXDFBNZBN-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000277117037 213303881 /nfs/dbraw/zinc/30/38/81/213303881.db2.gz HNVRJOXDFBNZBN-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cn1ccnc1 ZINC000174318020 198319389 /nfs/dbraw/zinc/31/93/89/198319389.db2.gz RNZDBGHKNJCJJT-QGZVFWFLSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000174517273 198345321 /nfs/dbraw/zinc/34/53/21/198345321.db2.gz YVLBLBWOBXKIIA-FUHWJXTLSA-N 3 1 319.493 2.589 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)CCN1C ZINC000174517273 198345322 /nfs/dbraw/zinc/34/53/22/198345322.db2.gz YVLBLBWOBXKIIA-FUHWJXTLSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@H]1C[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000174517273 198345324 /nfs/dbraw/zinc/34/53/24/198345324.db2.gz YVLBLBWOBXKIIA-FUHWJXTLSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@H]1C[C@H](NCc2ccc(OCCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000174517273 198345326 /nfs/dbraw/zinc/34/53/26/198345326.db2.gz YVLBLBWOBXKIIA-FUHWJXTLSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN(C)c1ccccc1F ZINC000129099902 283001800 /nfs/dbraw/zinc/00/18/00/283001800.db2.gz FWQSPXCJQLFGCE-VYDXJSESSA-N 2 1 307.457 2.970 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[NH+](C)C3)cc2)C1 ZINC000591096320 398726766 /nfs/dbraw/zinc/72/67/66/398726766.db2.gz CVAASAKSJYSBAU-NVXWUHKLSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@H+](C)C3)cc2)C1 ZINC000591096320 398726771 /nfs/dbraw/zinc/72/67/71/398726771.db2.gz CVAASAKSJYSBAU-NVXWUHKLSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)C1 ZINC000591096320 398726774 /nfs/dbraw/zinc/72/67/74/398726774.db2.gz CVAASAKSJYSBAU-NVXWUHKLSA-N 2 1 315.461 2.809 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000597975381 398730676 /nfs/dbraw/zinc/73/06/76/398730676.db2.gz WCMMSBNEVVRMTQ-QZTJIDSGSA-N 2 1 324.428 2.634 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000597975381 398730677 /nfs/dbraw/zinc/73/06/77/398730677.db2.gz WCMMSBNEVVRMTQ-QZTJIDSGSA-N 2 1 324.428 2.634 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1)C1CC1 ZINC000131111483 283072022 /nfs/dbraw/zinc/07/20/22/283072022.db2.gz KTZAJUQARKQESA-GOSISDBHSA-N 2 1 315.461 2.624 20 0 DFADMP CC(C)OCC[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000074773493 398766465 /nfs/dbraw/zinc/76/64/65/398766465.db2.gz XYJIXLOHYURKKH-UHFFFAOYSA-N 2 1 317.408 2.921 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000081516446 192276748 /nfs/dbraw/zinc/27/67/48/192276748.db2.gz QMEQSSKZWGEDDW-HNNXBMFYSA-N 2 1 313.445 2.692 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000081516446 192276750 /nfs/dbraw/zinc/27/67/50/192276750.db2.gz QMEQSSKZWGEDDW-HNNXBMFYSA-N 2 1 313.445 2.692 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000081516446 192276752 /nfs/dbraw/zinc/27/67/52/192276752.db2.gz QMEQSSKZWGEDDW-HNNXBMFYSA-N 2 1 313.445 2.692 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000081516446 192276755 /nfs/dbraw/zinc/27/67/55/192276755.db2.gz QMEQSSKZWGEDDW-HNNXBMFYSA-N 2 1 313.445 2.692 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1 ZINC000269296414 283189090 /nfs/dbraw/zinc/18/90/90/283189090.db2.gz WBVRIMHTEXSSFX-ROUUACIJSA-N 2 1 317.477 2.776 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@]2(CC)CCC[NH2+]2)C1 ZINC000134601902 283193772 /nfs/dbraw/zinc/19/37/72/283193772.db2.gz VDCYCJBNDJONGZ-QAPCUYQASA-N 2 1 309.498 2.535 20 0 DFADMP CCC[N@H+](CC(=O)NC1CC[NH+](CC)CC1)CC1CCCCC1 ZINC000050075932 398802857 /nfs/dbraw/zinc/80/28/57/398802857.db2.gz TWDKIIJDRFXGKP-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000594489527 398808050 /nfs/dbraw/zinc/80/80/50/398808050.db2.gz BCEBPOZVNKYGNF-QGZVFWFLSA-N 2 1 302.418 2.534 20 0 DFADMP c1ccc(CSCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000594490860 398808087 /nfs/dbraw/zinc/80/80/87/398808087.db2.gz SVUSMWGOKRTUII-GOSISDBHSA-N 2 1 320.502 2.763 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000151662524 283291625 /nfs/dbraw/zinc/29/16/25/283291625.db2.gz PPTSKYDESGRKPV-BZSNNMDCSA-N 2 1 323.525 2.686 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCC2 ZINC000594495903 398809320 /nfs/dbraw/zinc/80/93/20/398809320.db2.gz FEDMNVCEPMNQLW-RPVQJOFSSA-N 2 1 316.445 2.923 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCC2 ZINC000594495903 398809321 /nfs/dbraw/zinc/80/93/21/398809321.db2.gz FEDMNVCEPMNQLW-RPVQJOFSSA-N 2 1 316.445 2.923 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000179507542 199047272 /nfs/dbraw/zinc/04/72/72/199047272.db2.gz SBGUYRISICUGBK-ZOBUZTSGSA-N 2 1 320.477 2.955 20 0 DFADMP Cc1nn2c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)c(C)nc2s1 ZINC000276691075 213049569 /nfs/dbraw/zinc/04/95/69/213049569.db2.gz KOJBDXRASSEJTM-UHFFFAOYSA-N 2 1 321.494 2.619 20 0 DFADMP COCC[N@@H+](C)CCCN[C@H](c1ccccc1)c1ccccn1 ZINC000180104396 199118012 /nfs/dbraw/zinc/11/80/12/199118012.db2.gz DELKLUOLKWNHPA-LJQANCHMSA-N 2 1 313.445 2.729 20 0 DFADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000180132176 199121621 /nfs/dbraw/zinc/12/16/21/199121621.db2.gz GRXRPRRUBZJUGI-AWEZNQCLSA-N 2 1 317.389 2.626 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)o1 ZINC000180132176 199121622 /nfs/dbraw/zinc/12/16/22/199121622.db2.gz GRXRPRRUBZJUGI-AWEZNQCLSA-N 2 1 317.389 2.626 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCC(F)(F)F)CC1 ZINC000152661146 283333581 /nfs/dbraw/zinc/33/35/81/283333581.db2.gz AKFRKZANIDVZAM-ZDUSSCGKSA-N 2 1 310.404 2.744 20 0 DFADMP CC[C@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180162958 199125322 /nfs/dbraw/zinc/12/53/22/199125322.db2.gz GEZZYKZWBUGRKO-IPQPSQTFSA-N 2 1 302.462 2.933 20 0 DFADMP CC[C@@](C)(O)C[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180164578 199125457 /nfs/dbraw/zinc/12/54/57/199125457.db2.gz RTVHIXHQPCSCDJ-CADBVGFASA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1F ZINC000180467604 199163201 /nfs/dbraw/zinc/16/32/01/199163201.db2.gz QVXHUCCZGMQANV-SFHVURJKSA-N 2 1 307.457 2.894 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC000594922335 398872463 /nfs/dbraw/zinc/87/24/63/398872463.db2.gz FDUSPIYRDRIXFS-LVQVYYBASA-N 2 1 310.482 2.674 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)[C@@H]2C[C@H]2C(=O)OC)C1 ZINC000594922335 398872466 /nfs/dbraw/zinc/87/24/66/398872466.db2.gz FDUSPIYRDRIXFS-LVQVYYBASA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000180671511 199194189 /nfs/dbraw/zinc/19/41/89/199194189.db2.gz UALDWIWHOXTTCO-XIRDDKMYSA-N 2 1 304.434 2.753 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000180671511 199194190 /nfs/dbraw/zinc/19/41/90/199194190.db2.gz UALDWIWHOXTTCO-XIRDDKMYSA-N 2 1 304.434 2.753 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1C ZINC000594978230 398885650 /nfs/dbraw/zinc/88/56/50/398885650.db2.gz REGGVALTVFSOBV-CUSZFKRNSA-N 2 1 322.493 2.961 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1C ZINC000594978230 398885654 /nfs/dbraw/zinc/88/56/54/398885654.db2.gz REGGVALTVFSOBV-CUSZFKRNSA-N 2 1 322.493 2.961 20 0 DFADMP CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCC1 ZINC000594993075 398887998 /nfs/dbraw/zinc/88/79/98/398887998.db2.gz ADMVDZYHAVZFCB-LSDHHAIUSA-N 2 1 308.466 2.715 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H](c1cccnc1)C1CCC1 ZINC000280862896 215925058 /nfs/dbraw/zinc/92/50/58/215925058.db2.gz NITXJDZBOBKAID-MOPGFXCFSA-N 2 1 317.477 2.749 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@H](C)C1 ZINC000595099532 398905418 /nfs/dbraw/zinc/90/54/18/398905418.db2.gz NJFWSHOXHSSWFI-HUUCEWRRSA-N 2 1 310.482 2.818 20 0 DFADMP CCCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)c1 ZINC000186937691 200034927 /nfs/dbraw/zinc/03/49/27/200034927.db2.gz CZQLLAADSFGEHT-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)CC1 ZINC000599025547 398909828 /nfs/dbraw/zinc/90/98/28/398909828.db2.gz BWHUYPWUIBBZTQ-AQFXKWCLSA-N 2 1 310.482 2.818 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)Cc2ccccc2F)CC1 ZINC000187766485 200154016 /nfs/dbraw/zinc/15/40/16/200154016.db2.gz QLPXVEYJBYTSER-QGZVFWFLSA-N 2 1 321.484 2.764 20 0 DFADMP CO[C@@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188109751 200195035 /nfs/dbraw/zinc/19/50/35/200195035.db2.gz NMUYFVYVFBWATI-DSLXNQLJSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000237721098 202337759 /nfs/dbraw/zinc/33/77/59/202337759.db2.gz QBZKOFXVRADQBS-FUHWJXTLSA-N 2 1 317.477 2.705 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000595337062 398924434 /nfs/dbraw/zinc/92/44/34/398924434.db2.gz JJPBNPJXCHQADX-HZPDHXFCSA-N 2 1 317.468 2.768 20 0 DFADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC[C@@H]1CCCO1 ZINC000152334134 398930779 /nfs/dbraw/zinc/93/07/79/398930779.db2.gz MYEMXGFYNHWZMC-MOPGFXCFSA-N 2 1 324.509 2.770 20 0 DFADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC[C@@H]1CCCO1 ZINC000152334134 398930784 /nfs/dbraw/zinc/93/07/84/398930784.db2.gz MYEMXGFYNHWZMC-MOPGFXCFSA-N 2 1 324.509 2.770 20 0 DFADMP CCc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000189180825 200360594 /nfs/dbraw/zinc/36/05/94/200360594.db2.gz NQJZAIYSJRTFER-MRXNPFEDSA-N 2 1 304.478 2.774 20 0 DFADMP O[C@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000189326197 200381847 /nfs/dbraw/zinc/38/18/47/200381847.db2.gz VBTXVBZEPPONES-LPHOPBHVSA-N 2 1 320.452 2.583 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(N(C)C)CC2)CC1 ZINC000417357761 296013419 /nfs/dbraw/zinc/01/34/19/296013419.db2.gz SBBPOZPKWYCTJY-QGZVFWFLSA-N 2 1 315.505 2.766 20 0 DFADMP C[NH+](C)C1(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353032 296013204 /nfs/dbraw/zinc/01/32/04/296013204.db2.gz HUFLRYCNFIYIJO-YQQQUEKLSA-N 2 1 313.489 2.866 20 0 DFADMP CN(C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353032 296013205 /nfs/dbraw/zinc/01/32/05/296013205.db2.gz HUFLRYCNFIYIJO-YQQQUEKLSA-N 2 1 313.489 2.866 20 0 DFADMP CN(C)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353032 296013206 /nfs/dbraw/zinc/01/32/06/296013206.db2.gz HUFLRYCNFIYIJO-YQQQUEKLSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000599310001 398952283 /nfs/dbraw/zinc/95/22/83/398952283.db2.gz BVWFWLZARFKFSV-CVEARBPZSA-N 2 1 323.506 2.732 20 0 DFADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@H](c2nccn2C)C1 ZINC000599340719 398956012 /nfs/dbraw/zinc/95/60/12/398956012.db2.gz YYQXPNXXPVSIDP-LSDHHAIUSA-N 2 1 321.465 2.966 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C1CCN(CC(F)F)CC1 ZINC000157870661 398956263 /nfs/dbraw/zinc/95/62/63/398956263.db2.gz UXOMAICOQZQXNZ-OAHLLOKOSA-N 2 1 317.468 2.960 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475909 216326201 /nfs/dbraw/zinc/32/62/01/216326201.db2.gz FLNXZDNSWZIPEX-KBXCAEBGSA-N 2 1 321.440 2.762 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475909 216326205 /nfs/dbraw/zinc/32/62/05/216326205.db2.gz FLNXZDNSWZIPEX-KBXCAEBGSA-N 2 1 321.440 2.762 20 0 DFADMP COc1ccc(CC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000472485870 299326452 /nfs/dbraw/zinc/32/64/52/299326452.db2.gz ZIYAZMCZZDTATA-SFHVURJKSA-N 2 1 302.462 2.901 20 0 DFADMP COc1ccc(CC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000472485870 299326455 /nfs/dbraw/zinc/32/64/55/299326455.db2.gz ZIYAZMCZZDTATA-SFHVURJKSA-N 2 1 302.462 2.901 20 0 DFADMP COc1ccc(CC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000472485870 299326456 /nfs/dbraw/zinc/32/64/56/299326456.db2.gz ZIYAZMCZZDTATA-SFHVURJKSA-N 2 1 302.462 2.901 20 0 DFADMP C[NH+](C)CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000056523621 398978121 /nfs/dbraw/zinc/97/81/21/398978121.db2.gz HMMGJAICDQWNKV-UHFFFAOYSA-N 2 1 320.462 2.962 20 0 DFADMP C[C@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000604885261 398979921 /nfs/dbraw/zinc/97/99/21/398979921.db2.gz UPGNNULJAPXHAW-IEBWSBKVSA-N 2 1 301.478 2.502 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2sccc2Cl)CC1 ZINC000194385686 201215574 /nfs/dbraw/zinc/21/55/74/201215574.db2.gz SYBHVAHPOHLVAQ-GFCCVEGCSA-N 2 1 316.898 2.926 20 0 DFADMP CC(C)[NH2+]CCC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000166689475 398993884 /nfs/dbraw/zinc/99/38/84/398993884.db2.gz STCOHEDDYOMZJF-UHFFFAOYSA-N 2 1 321.490 2.562 20 0 DFADMP CC[NH+]1CCC(CC[NH2+][C@@H](c2ncc[nH]2)c2cccnc2)CC1 ZINC000195045802 201331225 /nfs/dbraw/zinc/33/12/25/201331225.db2.gz KBNIFVWWUFJDFZ-QGZVFWFLSA-N 2 1 313.449 2.606 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)c2O1 ZINC000275532453 212397634 /nfs/dbraw/zinc/39/76/34/212397634.db2.gz LZYZBLZLWXUTAA-AWEZNQCLSA-N 2 1 311.429 2.949 20 0 DFADMP CCCC[C@@H](C)[NH2+]C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000475085150 299342665 /nfs/dbraw/zinc/34/26/65/299342665.db2.gz FDFMAHMGPKKORM-ILXRZTDVSA-N 2 1 323.460 2.628 20 0 DFADMP Cc1cc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n(C)n1 ZINC000417889985 296061562 /nfs/dbraw/zinc/06/15/62/296061562.db2.gz LPKFZZDWOBPXGO-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000275505101 212378697 /nfs/dbraw/zinc/37/86/97/212378697.db2.gz JVVSOKGCVBQDMJ-HNNXBMFYSA-N 2 1 315.417 2.643 20 0 DFADMP CC[N@@H+](CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1)C1CC1 ZINC000091824348 193113167 /nfs/dbraw/zinc/11/31/67/193113167.db2.gz NQMVCTWCXBELHE-UHFFFAOYSA-N 2 1 315.461 2.748 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccccc21 ZINC000621748517 399064119 /nfs/dbraw/zinc/06/41/19/399064119.db2.gz HTWWAIPKWPCUCP-SFHVURJKSA-N 2 1 315.461 2.950 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccccc21 ZINC000621762709 399070504 /nfs/dbraw/zinc/07/05/04/399070504.db2.gz JGRYDYXGAWFWIE-SFHVURJKSA-N 2 1 315.461 2.948 20 0 DFADMP C[NH+](C)Cc1cccc(CNC(=O)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000479420385 299376549 /nfs/dbraw/zinc/37/65/49/299376549.db2.gz XTBAGXLHKXGCIR-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000293001203 284012153 /nfs/dbraw/zinc/01/21/53/284012153.db2.gz OXIJZMUIZFRXPG-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000293001203 284012160 /nfs/dbraw/zinc/01/21/60/284012160.db2.gz OXIJZMUIZFRXPG-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293001203 284012163 /nfs/dbraw/zinc/01/21/63/284012163.db2.gz OXIJZMUIZFRXPG-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000293001203 284012168 /nfs/dbraw/zinc/01/21/68/284012168.db2.gz OXIJZMUIZFRXPG-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2=CC[NH2+]CC2)cc1 ZINC000275189281 212182179 /nfs/dbraw/zinc/18/21/79/212182179.db2.gz ZAWLJFSOXNUAGB-UHFFFAOYSA-N 2 1 315.461 2.568 20 0 DFADMP c1ccc2c(c1)OC[C@@H](C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)O2 ZINC000606540207 399086735 /nfs/dbraw/zinc/08/67/35/399086735.db2.gz BTIVBFQGRSJMMD-DLBZAZTESA-N 2 1 316.445 2.777 20 0 DFADMP c1ccc2c(c1)OC[C@@H](C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)O2 ZINC000606540207 399086742 /nfs/dbraw/zinc/08/67/42/399086742.db2.gz BTIVBFQGRSJMMD-DLBZAZTESA-N 2 1 316.445 2.777 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545207 203074789 /nfs/dbraw/zinc/07/47/89/203074789.db2.gz JQMSQMHRUDDNDJ-AYBZRNKSSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1nn(C)c2ncc(C[N@@H+](C)C3CC[NH+](C(C)C)CC3)cc12 ZINC000261402134 203071584 /nfs/dbraw/zinc/07/15/84/203071584.db2.gz XUGGSKMOMVKONE-UHFFFAOYSA-N 2 1 315.465 2.581 20 0 DFADMP Cc1nn(C)c2ncc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc12 ZINC000261402134 203071588 /nfs/dbraw/zinc/07/15/88/203071588.db2.gz XUGGSKMOMVKONE-UHFFFAOYSA-N 2 1 315.465 2.581 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000093088701 193202033 /nfs/dbraw/zinc/20/20/33/193202033.db2.gz ZIJIJCUXEFJSOT-UHFFFAOYSA-N 2 1 312.461 2.954 20 0 DFADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340196436 284158576 /nfs/dbraw/zinc/15/85/76/284158576.db2.gz HOJANYLGAIHULG-JQHSSLGASA-N 2 1 317.477 2.716 20 0 DFADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340196436 284158577 /nfs/dbraw/zinc/15/85/77/284158577.db2.gz HOJANYLGAIHULG-JQHSSLGASA-N 2 1 317.477 2.716 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340193109 284156935 /nfs/dbraw/zinc/15/69/35/284156935.db2.gz SLWCHIPIKPJVBS-GBESFXJTSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340193109 284156937 /nfs/dbraw/zinc/15/69/37/284156937.db2.gz SLWCHIPIKPJVBS-GBESFXJTSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340193109 284156940 /nfs/dbraw/zinc/15/69/40/284156940.db2.gz SLWCHIPIKPJVBS-GBESFXJTSA-N 2 1 301.478 2.896 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262647008 203363109 /nfs/dbraw/zinc/36/31/09/203363109.db2.gz KGHCUOHUSQLLFM-WMZOPIPTSA-N 2 1 317.477 2.766 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340200974 284160283 /nfs/dbraw/zinc/16/02/83/284160283.db2.gz HGAHRNKVXYBBRJ-GJZGRUSLSA-N 2 1 316.367 2.990 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340200974 284160285 /nfs/dbraw/zinc/16/02/85/284160285.db2.gz HGAHRNKVXYBBRJ-GJZGRUSLSA-N 2 1 316.367 2.990 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCCOC)c2)C1 ZINC000093742012 193298385 /nfs/dbraw/zinc/29/83/85/193298385.db2.gz YEKZZBHCSDLCPR-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCCOC)c2)C1 ZINC000093742012 193298386 /nfs/dbraw/zinc/29/83/86/193298386.db2.gz YEKZZBHCSDLCPR-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000093742012 193298388 /nfs/dbraw/zinc/29/83/88/193298388.db2.gz YEKZZBHCSDLCPR-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCCOC)c2)C1 ZINC000093742012 193298390 /nfs/dbraw/zinc/29/83/90/193298390.db2.gz YEKZZBHCSDLCPR-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP C[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@]1(C)CCCO1 ZINC000340298428 284171134 /nfs/dbraw/zinc/17/11/34/284171134.db2.gz XPIZUTIHPHIMNL-SJORKVTESA-N 2 1 310.482 2.569 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340305344 284171889 /nfs/dbraw/zinc/17/18/89/284171889.db2.gz HMJHAJCYDAFNSI-ZACQAIPSSA-N 2 1 308.491 2.526 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340305344 284171890 /nfs/dbraw/zinc/17/18/90/284171890.db2.gz HMJHAJCYDAFNSI-ZACQAIPSSA-N 2 1 308.491 2.526 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCC2)C[C@H]1c1ccccc1 ZINC000340305608 284171941 /nfs/dbraw/zinc/17/19/41/284171941.db2.gz QTTPHYHQESDKII-MSOLQXFVSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCC2)C[C@H]1c1ccccc1 ZINC000340305608 284171943 /nfs/dbraw/zinc/17/19/43/284171943.db2.gz QTTPHYHQESDKII-MSOLQXFVSA-N 2 1 302.462 2.964 20 0 DFADMP COCCOc1cccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093643920 193282061 /nfs/dbraw/zinc/28/20/61/193282061.db2.gz JCFVAKGYGXWGHB-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093643920 193282063 /nfs/dbraw/zinc/28/20/63/193282063.db2.gz JCFVAKGYGXWGHB-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000093643920 193282065 /nfs/dbraw/zinc/28/20/65/193282065.db2.gz JCFVAKGYGXWGHB-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000093643920 193282066 /nfs/dbraw/zinc/28/20/66/193282066.db2.gz JCFVAKGYGXWGHB-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP CCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000093683550 193287942 /nfs/dbraw/zinc/28/79/42/193287942.db2.gz SAYWAUUVQXUTKS-KRWDZBQOSA-N 2 1 304.482 2.828 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c1C ZINC000093683550 193287943 /nfs/dbraw/zinc/28/79/43/193287943.db2.gz SAYWAUUVQXUTKS-KRWDZBQOSA-N 2 1 304.482 2.828 20 0 DFADMP C[N@@H+](CCOc1ccc(Br)cc1)CC(C)(C)C[NH3+] ZINC000093874224 193321915 /nfs/dbraw/zinc/32/19/15/193321915.db2.gz DXFGBIDSBRALLJ-UHFFFAOYSA-N 2 1 315.255 2.745 20 0 DFADMP O=C(NCCC[NH2+]C1CCCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000419922356 296151718 /nfs/dbraw/zinc/15/17/18/296151718.db2.gz OUVGQUHYBMNFEM-GOSISDBHSA-N 2 1 321.509 2.822 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000595911183 399131877 /nfs/dbraw/zinc/13/18/77/399131877.db2.gz SOQSAJYCJGNRIE-RHSMWYFYSA-N 2 1 304.434 2.813 20 0 DFADMP C[NH2+][C@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000420173509 296160349 /nfs/dbraw/zinc/16/03/49/296160349.db2.gz VKDUHLKBTDYNGL-NSHDSACASA-N 2 1 306.207 2.795 20 0 DFADMP Cc1ccc(-c2nnc(C[NH+]3CCC(C[NH+](C)C)CC3)o2)cc1 ZINC000341184278 284245943 /nfs/dbraw/zinc/24/59/43/284245943.db2.gz IRDHCEMFKXCYPE-UHFFFAOYSA-N 2 1 314.433 2.819 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CNc1cncc(-n2cc[nH+]c2C)n1 ZINC000420285462 296169263 /nfs/dbraw/zinc/16/92/63/296169263.db2.gz VRYCWTPWNXDAJE-INIZCTEOSA-N 2 1 322.416 2.645 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@H](C(=O)OC)c2ccccc2C)CC1 ZINC000420295601 296170412 /nfs/dbraw/zinc/17/04/12/296170412.db2.gz VTONACZFAJKPNX-KRWDZBQOSA-N 2 1 304.434 2.531 20 0 DFADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000420293837 296170648 /nfs/dbraw/zinc/17/06/48/296170648.db2.gz ANYBLMDCZVIABX-HZPDHXFCSA-N 2 1 303.450 2.725 20 0 DFADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC[C@H]1CCCO1 ZINC000607358309 399160214 /nfs/dbraw/zinc/16/02/14/399160214.db2.gz MYEMXGFYNHWZMC-RBUKOAKNSA-N 2 1 324.509 2.770 20 0 DFADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC[C@H]1CCCO1 ZINC000607358309 399160218 /nfs/dbraw/zinc/16/02/18/399160218.db2.gz MYEMXGFYNHWZMC-RBUKOAKNSA-N 2 1 324.509 2.770 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H]([C@H](C)[NH3+])C3)ccc2o1 ZINC000420297023 296171005 /nfs/dbraw/zinc/17/10/05/296171005.db2.gz YCPMFRGNESQNRX-GXTWGEPZSA-N 2 1 316.401 2.779 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)[C@@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420301552 296171762 /nfs/dbraw/zinc/17/17/62/296171762.db2.gz LKYKZFSWIGNRDG-LSDHHAIUSA-N 2 1 309.885 2.669 20 0 DFADMP c1ccc(C[N@H+](CC[C@H]2CCCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420313719 296173757 /nfs/dbraw/zinc/17/37/57/296173757.db2.gz PTTJWSWFTGJWRM-RTBURBONSA-N 2 1 317.477 2.985 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3c(F)cccc3F)n2)C1 ZINC000420312670 296173823 /nfs/dbraw/zinc/17/38/23/296173823.db2.gz ORNRKOIENBZWPL-ZDUSSCGKSA-N 2 1 320.387 2.711 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+](C)C1(C[NH3+])CCC1 ZINC000420320694 296174605 /nfs/dbraw/zinc/17/46/05/296174605.db2.gz BOYBVKXOUVISGY-UHFFFAOYSA-N 2 1 307.463 2.550 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+](C)C1(C[NH3+])CCC1 ZINC000420320694 296174606 /nfs/dbraw/zinc/17/46/06/296174606.db2.gz BOYBVKXOUVISGY-UHFFFAOYSA-N 2 1 307.463 2.550 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000420321511 296174747 /nfs/dbraw/zinc/17/47/47/296174747.db2.gz VKOLVKONDYBIQJ-AEFFLSMTSA-N 2 1 316.445 2.531 20 0 DFADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420315290 296174103 /nfs/dbraw/zinc/17/41/03/296174103.db2.gz LNLPYQLZWAKVKS-JKSUJKDBSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323165 296175467 /nfs/dbraw/zinc/17/54/67/296175467.db2.gz FUJRZEYWPYQZBN-CHWSQXEVSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323165 296175468 /nfs/dbraw/zinc/17/54/68/296175468.db2.gz FUJRZEYWPYQZBN-CHWSQXEVSA-N 2 1 310.388 2.713 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321068 296174834 /nfs/dbraw/zinc/17/48/34/296174834.db2.gz CFPXGQYLKHEYKU-IRXDYDNUSA-N 2 1 318.461 2.786 20 0 DFADMP COc1cccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420328527 296176116 /nfs/dbraw/zinc/17/61/16/296176116.db2.gz ZUPCVOOWLVVSPU-LPHOPBHVSA-N 2 1 318.461 2.676 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420331190 296176354 /nfs/dbraw/zinc/17/63/54/296176354.db2.gz BSXLTWQZAAZNQR-ULQDDVLXSA-N 2 1 315.461 2.644 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420326721 296175708 /nfs/dbraw/zinc/17/57/08/296175708.db2.gz KOGLQVVGABCJAP-BQFCYCMXSA-N 2 1 316.445 2.531 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420339555 296177370 /nfs/dbraw/zinc/17/73/70/296177370.db2.gz LZTGAHCPSZEALV-SJORKVTESA-N 2 1 315.461 2.563 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271732097 209165056 /nfs/dbraw/zinc/16/50/56/209165056.db2.gz CJIORXNBICEYGO-GOSISDBHSA-N 2 1 306.425 2.713 20 0 DFADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000420345616 296178042 /nfs/dbraw/zinc/17/80/42/296178042.db2.gz ATEFTGJEKPUKIC-HXUWFJFHSA-N 2 1 323.484 2.752 20 0 DFADMP c1coc(-c2cc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420345986 296178059 /nfs/dbraw/zinc/17/80/59/296178059.db2.gz WZQAPXOESOHDBQ-KBPBESRZSA-N 2 1 301.390 2.756 20 0 DFADMP CC[C@H](Cc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282502220 217044065 /nfs/dbraw/zinc/04/40/65/217044065.db2.gz YHDHGOSRGBTZEG-GOSISDBHSA-N 2 1 303.494 2.623 20 0 DFADMP Clc1cnc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420347146 296178531 /nfs/dbraw/zinc/17/85/31/296178531.db2.gz XQNBBFQCMYFFFV-PHIMTYICSA-N 2 1 300.233 2.820 20 0 DFADMP Clc1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1 ZINC000420347146 296178532 /nfs/dbraw/zinc/17/85/32/296178532.db2.gz XQNBBFQCMYFFFV-PHIMTYICSA-N 2 1 300.233 2.820 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([S@](C)=O)CC1 ZINC000282525733 217061457 /nfs/dbraw/zinc/06/14/57/217061457.db2.gz YNJJLZCISBIATH-QFIPXVFZSA-N 2 1 322.518 2.645 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1([S@](C)=O)CC1 ZINC000282525733 217061459 /nfs/dbraw/zinc/06/14/59/217061459.db2.gz YNJJLZCISBIATH-QFIPXVFZSA-N 2 1 322.518 2.645 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420357141 296179640 /nfs/dbraw/zinc/17/96/40/296179640.db2.gz DDQLHZBGUCVEPN-JKIFEVAISA-N 2 1 314.433 2.645 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)cs2)CC1(C)C ZINC000282530412 217066913 /nfs/dbraw/zinc/06/69/13/217066913.db2.gz ZAHHBHBEYIPERJ-UHFFFAOYSA-N 2 1 301.887 2.517 20 0 DFADMP FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420361869 296179915 /nfs/dbraw/zinc/17/99/15/296179915.db2.gz NREDVNGFPBMPLH-NEPJUHHUSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000420361869 296179917 /nfs/dbraw/zinc/17/99/17/296179917.db2.gz NREDVNGFPBMPLH-NEPJUHHUSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000420361869 296179920 /nfs/dbraw/zinc/17/99/20/296179920.db2.gz NREDVNGFPBMPLH-NEPJUHHUSA-N 2 1 316.371 2.608 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000420365748 296180678 /nfs/dbraw/zinc/18/06/78/296180678.db2.gz LLOGIYJKFXZZIW-XHBSWPGZSA-N 2 1 309.841 2.645 20 0 DFADMP c1ccc(CC[C@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364343 296180342 /nfs/dbraw/zinc/18/03/42/296180342.db2.gz QOIBFQRMLLSCBE-OALUTQOASA-N 2 1 302.462 2.710 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)o1 ZINC000607523120 399172186 /nfs/dbraw/zinc/17/21/86/399172186.db2.gz SMWFTZMYWWZHKQ-LSDHHAIUSA-N 2 1 321.465 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000607523118 399173148 /nfs/dbraw/zinc/17/31/48/399173148.db2.gz SMWFTZMYWWZHKQ-HUUCEWRRSA-N 2 1 321.465 2.676 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420376143 296182558 /nfs/dbraw/zinc/18/25/58/296182558.db2.gz UTQCZRGWGLLXIO-GDZNZVCISA-N 2 1 321.490 2.713 20 0 DFADMP FC(F)(F)c1ccn([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420374495 296182199 /nfs/dbraw/zinc/18/21/99/296182199.db2.gz NTSQYBYYYFFJBF-STQMWFEESA-N 2 1 316.371 2.538 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420376404 296182749 /nfs/dbraw/zinc/18/27/49/296182749.db2.gz OYOAMDVITJIKBS-LJQANCHMSA-N 2 1 302.462 2.711 20 0 DFADMP [NH3+]C[C@H]([NH2+]CCC(=O)NCC1CCCCC1)C1CCCCC1 ZINC000420381150 296183515 /nfs/dbraw/zinc/18/35/15/296183515.db2.gz YXEHUIAZSGVMKY-KRWDZBQOSA-N 2 1 309.498 2.570 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000342089279 284324272 /nfs/dbraw/zinc/32/42/72/284324272.db2.gz SQSPAPULFJLBTK-CVEARBPZSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000342089279 284324274 /nfs/dbraw/zinc/32/42/74/284324274.db2.gz SQSPAPULFJLBTK-CVEARBPZSA-N 2 1 304.434 2.729 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393068 296185205 /nfs/dbraw/zinc/18/52/05/296185205.db2.gz JJRMWYQEOGONRH-WMLDXEAASA-N 2 1 319.424 2.618 20 0 DFADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000282729033 217207668 /nfs/dbraw/zinc/20/76/68/217207668.db2.gz SJRNQLBFBSJBNW-AWEZNQCLSA-N 2 1 310.869 2.971 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420402491 296186356 /nfs/dbraw/zinc/18/63/56/296186356.db2.gz QOWUDCNBVBWRFM-WMZOPIPTSA-N 2 1 301.434 2.609 20 0 DFADMP Cc1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764866 217235170 /nfs/dbraw/zinc/23/51/70/217235170.db2.gz ITKJHGSEYVIIPZ-MRXNPFEDSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764866 217235174 /nfs/dbraw/zinc/23/51/74/217235174.db2.gz ITKJHGSEYVIIPZ-MRXNPFEDSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764866 217235177 /nfs/dbraw/zinc/23/51/77/217235177.db2.gz ITKJHGSEYVIIPZ-MRXNPFEDSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)CCC(F)(F)F)CC2)nc(C)[nH+]1 ZINC000080967814 399196366 /nfs/dbraw/zinc/19/63/66/399196366.db2.gz UUZFHEBDPOTDNI-UHFFFAOYSA-N 2 1 316.371 2.946 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CCC(F)(F)F)CC2)nc(C)[nH+]1 ZINC000080967814 399196369 /nfs/dbraw/zinc/19/63/69/399196369.db2.gz UUZFHEBDPOTDNI-UHFFFAOYSA-N 2 1 316.371 2.946 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000600996884 399198603 /nfs/dbraw/zinc/19/86/03/399198603.db2.gz LZQPHEFACQVGIN-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)n(C)n1 ZINC000342619628 284381278 /nfs/dbraw/zinc/38/12/78/284381278.db2.gz SQSLYOSCBQHTHR-YOEHRIQHSA-N 2 1 304.482 2.861 20 0 DFADMP COCCCOc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1 ZINC000063917295 399212746 /nfs/dbraw/zinc/21/27/46/399212746.db2.gz JZIZQCZJXOBQAX-SFHVURJKSA-N 2 1 320.477 2.922 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000342681699 284387766 /nfs/dbraw/zinc/38/77/66/284387766.db2.gz URYQLFAIUVUDIU-UHFFFAOYSA-N 2 1 300.450 2.878 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)ncn3C)CC1 ZINC000342681699 284387770 /nfs/dbraw/zinc/38/77/70/284387770.db2.gz URYQLFAIUVUDIU-UHFFFAOYSA-N 2 1 300.450 2.878 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000342727733 284395616 /nfs/dbraw/zinc/39/56/16/284395616.db2.gz IAHGFIPXXQAUCQ-AEFFLSMTSA-N 2 1 320.477 2.973 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NCCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000081257284 399219788 /nfs/dbraw/zinc/21/97/88/399219788.db2.gz RGVVCNFOEPUVBF-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP Fc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1F ZINC000064344391 399220512 /nfs/dbraw/zinc/22/05/12/399220512.db2.gz FLMQDGLYSQEDSZ-UHFFFAOYSA-N 2 1 324.415 2.899 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000420899568 296209557 /nfs/dbraw/zinc/20/95/57/296209557.db2.gz GAQQZVKZKFXEID-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)C[C@@H]1CCCO1 ZINC000420899568 296209558 /nfs/dbraw/zinc/20/95/58/296209558.db2.gz GAQQZVKZKFXEID-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CCOc1cc(C[NH2+]CCC[NH+](C)C)ccc1OC(F)F ZINC000020553087 182231091 /nfs/dbraw/zinc/23/10/91/182231091.db2.gz IMIOCTWYSSZTTO-UHFFFAOYSA-N 2 1 302.365 2.728 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000420935949 296214895 /nfs/dbraw/zinc/21/48/95/296214895.db2.gz KEFKJGTYEIFRQS-LJQANCHMSA-N 2 1 300.446 2.751 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H](C2CC2)C1 ZINC000420935949 296214896 /nfs/dbraw/zinc/21/48/96/296214896.db2.gz KEFKJGTYEIFRQS-LJQANCHMSA-N 2 1 300.446 2.751 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCc1nc2ccccc2n1C ZINC000267433887 206064474 /nfs/dbraw/zinc/06/44/74/206064474.db2.gz NGBFCSJOQCACFQ-MRXNPFEDSA-N 2 1 323.444 2.785 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCc1nc2ccccc2n1C ZINC000267433887 206064478 /nfs/dbraw/zinc/06/44/78/206064478.db2.gz NGBFCSJOQCACFQ-MRXNPFEDSA-N 2 1 323.444 2.785 20 0 DFADMP CCO[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420960763 296218217 /nfs/dbraw/zinc/21/82/17/296218217.db2.gz HCUUYVGKGHSKQO-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421027272 296227857 /nfs/dbraw/zinc/22/78/57/296227857.db2.gz SWHXVEYWIAKRQE-HOCLYGCPSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](C)C[C@H](C(=O)OC(C)(C)C)C1 ZINC000421027272 296227859 /nfs/dbraw/zinc/22/78/59/296227859.db2.gz SWHXVEYWIAKRQE-HOCLYGCPSA-N 2 1 321.465 2.881 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000618903275 399255416 /nfs/dbraw/zinc/25/54/16/399255416.db2.gz PBOQLEIVXITJHG-STQMWFEESA-N 2 1 317.389 2.518 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000618903275 399255418 /nfs/dbraw/zinc/25/54/18/399255418.db2.gz PBOQLEIVXITJHG-STQMWFEESA-N 2 1 317.389 2.518 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]2CCC[C@H]21 ZINC000608498469 399271323 /nfs/dbraw/zinc/27/13/23/399271323.db2.gz NVFSVLGUYLMGDN-GBESFXJTSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]2CCC[C@H]21 ZINC000608498469 399271324 /nfs/dbraw/zinc/27/13/24/399271324.db2.gz NVFSVLGUYLMGDN-GBESFXJTSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000608498469 399271328 /nfs/dbraw/zinc/27/13/28/399271328.db2.gz NVFSVLGUYLMGDN-GBESFXJTSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000608498469 399271332 /nfs/dbraw/zinc/27/13/32/399271332.db2.gz NVFSVLGUYLMGDN-GBESFXJTSA-N 2 1 302.462 2.744 20 0 DFADMP c1ccc2c(c1)OC[C@@H](C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)O2 ZINC000608500324 399272023 /nfs/dbraw/zinc/27/20/23/399272023.db2.gz FUNNZOZJNXKEEB-IAGOWNOFSA-N 2 1 316.445 2.634 20 0 DFADMP c1ccc2c(c1)OC[C@@H](C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)O2 ZINC000608500324 399272027 /nfs/dbraw/zinc/27/20/27/399272027.db2.gz FUNNZOZJNXKEEB-IAGOWNOFSA-N 2 1 316.445 2.634 20 0 DFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421325873 296244870 /nfs/dbraw/zinc/24/48/70/296244870.db2.gz MKUFIRHRBWPQJU-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1c(Cl)c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)nn1C ZINC000421334006 296245312 /nfs/dbraw/zinc/24/53/12/296245312.db2.gz OZLARWVRMPJRCY-CYBMUJFWSA-N 2 1 312.889 2.984 20 0 DFADMP Cc1c(Cl)c(C[NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)nn1C ZINC000421334006 296245313 /nfs/dbraw/zinc/24/53/13/296245313.db2.gz OZLARWVRMPJRCY-CYBMUJFWSA-N 2 1 312.889 2.984 20 0 DFADMP Cc1c(Cl)c(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nn1C ZINC000421360471 296248099 /nfs/dbraw/zinc/24/80/99/296248099.db2.gz ZVZRRLZXUKUUQO-AWEZNQCLSA-N 2 1 310.873 2.546 20 0 DFADMP Cc1c(Cl)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)nn1C ZINC000421360471 296248100 /nfs/dbraw/zinc/24/81/00/296248100.db2.gz ZVZRRLZXUKUUQO-AWEZNQCLSA-N 2 1 310.873 2.546 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@H]3CC=CCC3)CC2)CC1 ZINC000421376906 296250218 /nfs/dbraw/zinc/25/02/18/296250218.db2.gz REJVBSMYSZQDRX-SFHVURJKSA-N 2 1 305.510 2.835 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000040600298 183107765 /nfs/dbraw/zinc/10/77/65/183107765.db2.gz JUNSYDZVUXYLMX-CYBMUJFWSA-N 2 1 309.841 2.600 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OCC(F)(F)F)cc1 ZINC000623086219 399324161 /nfs/dbraw/zinc/32/41/61/399324161.db2.gz CSDTWWNMHKMEPJ-UHFFFAOYSA-N 2 1 313.323 2.694 20 0 DFADMP COC(=O)[C@H](c1ccccc1)N1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000609799083 399331792 /nfs/dbraw/zinc/33/17/92/399331792.db2.gz IZUCCAAQCBGDRF-SJORKVTESA-N 2 1 313.401 2.743 20 0 DFADMP C[NH+](C)C1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000422006300 296289533 /nfs/dbraw/zinc/28/95/33/296289533.db2.gz LQSOUDQNVWOENA-GTPINHCMSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000623344214 399367063 /nfs/dbraw/zinc/36/70/63/399367063.db2.gz ABYFRKZXEWWVLF-ZFWWWQNUSA-N 2 1 324.490 2.614 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000623344214 399367064 /nfs/dbraw/zinc/36/70/64/399367064.db2.gz ABYFRKZXEWWVLF-ZFWWWQNUSA-N 2 1 324.490 2.614 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623373276 399374993 /nfs/dbraw/zinc/37/49/93/399374993.db2.gz ZMMNOPIEDIMXFC-CYBMUJFWSA-N 2 1 311.420 2.852 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623373276 399374994 /nfs/dbraw/zinc/37/49/94/399374994.db2.gz ZMMNOPIEDIMXFC-CYBMUJFWSA-N 2 1 311.420 2.852 20 0 DFADMP C[C@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380515 399376125 /nfs/dbraw/zinc/37/61/25/399376125.db2.gz BSQSXXFCBSCQEH-RDJZCZTQSA-N 2 1 301.478 2.900 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+](C)C2CCCCC2)n1C ZINC000601998866 399379422 /nfs/dbraw/zinc/37/94/22/399379422.db2.gz QHXSAVIBPWMDLR-UHFFFAOYSA-N 2 1 321.465 2.556 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+](C)C2CCCCC2)n1C ZINC000601998866 399379423 /nfs/dbraw/zinc/37/94/23/399379423.db2.gz QHXSAVIBPWMDLR-UHFFFAOYSA-N 2 1 321.465 2.556 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCC(=O)NCC2CCCCC2)CC1 ZINC000109788262 194285103 /nfs/dbraw/zinc/28/51/03/194285103.db2.gz LDWILNFEVHWRNJ-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268838673 207003283 /nfs/dbraw/zinc/00/32/83/207003283.db2.gz TVAOMCXPVYFVCF-HOTGVXAUSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000422560991 296312558 /nfs/dbraw/zinc/31/25/58/296312558.db2.gz IIFVOGOPFNIHRP-RVKKMQEKSA-N 2 1 302.462 2.859 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CC1(C)C ZINC000623452632 399393750 /nfs/dbraw/zinc/39/37/50/399393750.db2.gz KBBFTNPRDVYLGE-LSDHHAIUSA-N 2 1 304.434 2.679 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)cc(F)c1 ZINC000268863414 207030859 /nfs/dbraw/zinc/03/08/59/207030859.db2.gz FBVKUIJGKWZVQN-SUMWQHHRSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2ccnn2)cc1 ZINC000623473713 399397675 /nfs/dbraw/zinc/39/76/75/399397675.db2.gz FJKFAHBYOYKFNY-GOEBONIOSA-N 2 1 313.449 2.791 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000623467160 399396422 /nfs/dbraw/zinc/39/64/22/399396422.db2.gz ZMJOOXNXTMQVEI-GJZGRUSLSA-N 2 1 312.523 2.894 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397257 /nfs/dbraw/zinc/39/72/57/399397257.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397260 /nfs/dbraw/zinc/39/72/60/399397260.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397265 /nfs/dbraw/zinc/39/72/65/399397265.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 2 1 301.478 2.894 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397266 /nfs/dbraw/zinc/39/72/66/399397266.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 2 1 301.478 2.894 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475524 399397270 /nfs/dbraw/zinc/39/72/70/399397270.db2.gz PZAZQMUGPCOEAE-FGTMMUONSA-N 2 1 301.478 2.894 20 0 DFADMP CC(C)[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[NH+](C)C ZINC000110870591 194364953 /nfs/dbraw/zinc/36/49/53/194364953.db2.gz UXVSANAESXFMQP-GOSISDBHSA-N 2 1 319.493 2.729 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000268901178 207069125 /nfs/dbraw/zinc/06/91/25/207069125.db2.gz UNBKSCSTAHHRMH-NVXWUHKLSA-N 2 1 312.461 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000268901178 207069130 /nfs/dbraw/zinc/06/91/30/207069130.db2.gz UNBKSCSTAHHRMH-NVXWUHKLSA-N 2 1 312.461 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000268901178 207069133 /nfs/dbraw/zinc/06/91/33/207069133.db2.gz UNBKSCSTAHHRMH-NVXWUHKLSA-N 2 1 312.461 2.532 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000422640728 296317603 /nfs/dbraw/zinc/31/76/03/296317603.db2.gz VYFOFEABDOABET-YCPHGPKFSA-N 2 1 314.433 2.584 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCc2nc(-c3ccccc3)no2)C[C@@H]1C[NH3+] ZINC000422640725 296317690 /nfs/dbraw/zinc/31/76/90/296317690.db2.gz VYFOFEABDOABET-FMKPAKJESA-N 2 1 314.433 2.584 20 0 DFADMP C[C@@H]1C[C@H](C)[N@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000422637831 296317145 /nfs/dbraw/zinc/31/71/45/296317145.db2.gz PLODLQQBFCBLRN-GRYCIOLGSA-N 2 1 301.356 2.906 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2ccc(C(F)(F)F)cn2)C[C@H]1C[NH3+] ZINC000422637831 296317146 /nfs/dbraw/zinc/31/71/46/296317146.db2.gz PLODLQQBFCBLRN-GRYCIOLGSA-N 2 1 301.356 2.906 20 0 DFADMP c1cn2cc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nc2s1 ZINC000422699553 296318061 /nfs/dbraw/zinc/31/80/61/296318061.db2.gz DPSROSWGYIUUOB-RRFJBIMHSA-N 2 1 304.463 2.796 20 0 DFADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623499017 399402738 /nfs/dbraw/zinc/40/27/38/399402738.db2.gz PSPOUYGEPSYPII-IXDOHACOSA-N 2 1 320.481 2.586 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1Cl ZINC000623499154 399402757 /nfs/dbraw/zinc/40/27/57/399402757.db2.gz XNXUGXGQQZXCAG-CYBMUJFWSA-N 2 1 305.809 2.897 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)c1OC ZINC000422699137 296318306 /nfs/dbraw/zinc/31/83/06/296318306.db2.gz AESMZOKDUMLLBI-BZUAXINKSA-N 2 1 304.434 2.714 20 0 DFADMP CC[C@@H](C)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268930361 207097041 /nfs/dbraw/zinc/09/70/41/207097041.db2.gz ZGPXXRQJWQKSAU-APWZRJJASA-N 2 1 304.478 2.690 20 0 DFADMP C[C@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422708635 296319265 /nfs/dbraw/zinc/31/92/65/296319265.db2.gz CCMGJKVZFVYIRI-JTDSTZFVSA-N 2 1 301.478 2.553 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(c3nccs3)CC2)CC1(C)C ZINC000623513845 399405784 /nfs/dbraw/zinc/40/57/84/399405784.db2.gz OZGVIYLDSNNDSL-CQSZACIVSA-N 2 1 308.495 2.574 20 0 DFADMP C([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)C1(N2CCSCC2)CCCCC1 ZINC000422713169 296320108 /nfs/dbraw/zinc/32/01/08/296320108.db2.gz PIRXSIUNOWVFGB-SJPCQFCGSA-N 2 1 323.550 2.611 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422716185 296320396 /nfs/dbraw/zinc/32/03/96/296320396.db2.gz NBWAIPXROZZPIO-RCCFBDPRSA-N 2 1 318.461 2.721 20 0 DFADMP C[NH+](C)C[C@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623525361 399408230 /nfs/dbraw/zinc/40/82/30/399408230.db2.gz HZMAOKDCAJBINB-IRXDYDNUSA-N 2 1 307.457 2.891 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714545 296320477 /nfs/dbraw/zinc/32/04/77/296320477.db2.gz LAGVXNPJZTUUBA-AABGKKOBSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714545 296320478 /nfs/dbraw/zinc/32/04/78/296320478.db2.gz LAGVXNPJZTUUBA-AABGKKOBSA-N 2 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714545 296320479 /nfs/dbraw/zinc/32/04/79/296320479.db2.gz LAGVXNPJZTUUBA-AABGKKOBSA-N 2 1 315.505 2.658 20 0 DFADMP C[NH+](C)C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623525362 399408479 /nfs/dbraw/zinc/40/84/79/399408479.db2.gz HZMAOKDCAJBINB-SJORKVTESA-N 2 1 307.457 2.891 20 0 DFADMP C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422718537 296320981 /nfs/dbraw/zinc/32/09/81/296320981.db2.gz PWAXDVLAWVLGKX-YZGWKJHDSA-N 2 1 315.505 2.671 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422717957 296321071 /nfs/dbraw/zinc/32/10/71/296321071.db2.gz KXEOOUDECDEVKI-ZIAGYGMSSA-N 2 1 324.350 2.861 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)CCCC[NH3+])CC2)oc1C ZINC000422715581 296320710 /nfs/dbraw/zinc/32/07/10/296320710.db2.gz SIDXUUFNXABTCV-AWEZNQCLSA-N 3 1 322.497 2.611 20 0 DFADMP C[C@H](NC1CC[NH+](Cc2ccc(F)c(F)c2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422725299 296322096 /nfs/dbraw/zinc/32/20/96/296322096.db2.gz XULNZFAWVTXPPC-UGSOOPFHSA-N 2 1 323.431 2.659 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)NCc1cccs1 ZINC000623556973 399415287 /nfs/dbraw/zinc/41/52/87/399415287.db2.gz GMZCRDJNWKWNHY-UKRRQHHQSA-N 2 1 323.506 2.605 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)C(=O)NCc1cccs1 ZINC000623556973 399415289 /nfs/dbraw/zinc/41/52/89/399415289.db2.gz GMZCRDJNWKWNHY-UKRRQHHQSA-N 2 1 323.506 2.605 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575127 399419726 /nfs/dbraw/zinc/41/97/26/399419726.db2.gz LWIMYICMMWPZKO-ROUUACIJSA-N 2 1 301.478 2.723 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000268995339 207151490 /nfs/dbraw/zinc/15/14/90/207151490.db2.gz SPPNPRVSNNCROR-IBGZPJMESA-N 2 1 304.478 2.954 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCN[C@@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000422730995 296323167 /nfs/dbraw/zinc/32/31/67/296323167.db2.gz MXXBNXJJFNQNRV-UHOSZYNNSA-N 2 1 303.494 2.799 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000623657005 399437326 /nfs/dbraw/zinc/43/73/26/399437326.db2.gz HPDLHYBJGGKQIA-CQSZACIVSA-N 2 1 321.431 2.725 20 0 DFADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cnn(Cc2ccccc2)c1 ZINC000269051879 207200600 /nfs/dbraw/zinc/20/06/00/207200600.db2.gz VZRBLLOUSRINTB-HOTGVXAUSA-N 2 1 300.450 2.922 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3csc(C)c3C)C2)CC1 ZINC000602463411 399451255 /nfs/dbraw/zinc/45/12/55/399451255.db2.gz GADLGKMWIDJJBB-QGZVFWFLSA-N 2 1 307.507 2.577 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195094 184277940 /nfs/dbraw/zinc/27/79/40/184277940.db2.gz DAQLWBOAZSDVJU-IUODEOHRSA-N 2 1 309.841 2.870 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195094 184277942 /nfs/dbraw/zinc/27/79/42/184277942.db2.gz DAQLWBOAZSDVJU-IUODEOHRSA-N 2 1 309.841 2.870 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000422743266 296324887 /nfs/dbraw/zinc/32/48/87/296324887.db2.gz RFESQBVCXDLTJO-ZBFHGGJFSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743266 296324888 /nfs/dbraw/zinc/32/48/88/296324888.db2.gz RFESQBVCXDLTJO-ZBFHGGJFSA-N 3 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000422743266 296324889 /nfs/dbraw/zinc/32/48/89/296324889.db2.gz RFESQBVCXDLTJO-ZBFHGGJFSA-N 3 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@H+](C(C)C)C1 ZINC000422743264 296324818 /nfs/dbraw/zinc/32/48/18/296324818.db2.gz RFESQBVCXDLTJO-GOEBONIOSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743264 296324820 /nfs/dbraw/zinc/32/48/20/296324820.db2.gz RFESQBVCXDLTJO-GOEBONIOSA-N 3 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1 ZINC000422743264 296324821 /nfs/dbraw/zinc/32/48/21/296324821.db2.gz RFESQBVCXDLTJO-GOEBONIOSA-N 3 1 304.482 2.620 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]CCN2CCc3sccc3C2)c2ccccc21 ZINC000422743620 296324847 /nfs/dbraw/zinc/32/48/47/296324847.db2.gz UPDIFHYUQUEPLA-SJORKVTESA-N 2 1 313.470 2.841 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422751883 296326446 /nfs/dbraw/zinc/32/64/46/296326446.db2.gz DEPQUAGYJBMVEF-DZFGPLHGSA-N 2 1 323.484 2.809 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@@H+](C)Cc1ccccc1 ZINC000422759292 296327990 /nfs/dbraw/zinc/32/79/90/296327990.db2.gz LBDCOSFQLFFQBU-XLIONFOSSA-N 2 1 311.473 2.667 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@@H+](C)Cc1ccccc1 ZINC000422759293 296328104 /nfs/dbraw/zinc/32/81/04/296328104.db2.gz LBDCOSFQLFFQBU-YLJYHZDGSA-N 2 1 311.473 2.667 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C)OCCCO2)CC1 ZINC000366772693 296329112 /nfs/dbraw/zinc/32/91/12/296329112.db2.gz LEFJIADSTAQIPL-WBVHZDCISA-N 2 1 310.482 2.772 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)c1c[nH+]ccc1N ZINC000422764246 296329386 /nfs/dbraw/zinc/32/93/86/296329386.db2.gz PSAWVGLDKOCYJC-DZGCQCFKSA-N 2 1 314.408 2.953 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1F ZINC000422766448 296329735 /nfs/dbraw/zinc/32/97/35/296329735.db2.gz XIOKSZKVHHCOOV-YOEHRIQHSA-N 2 1 302.393 2.753 20 0 DFADMP COc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000422769178 296329955 /nfs/dbraw/zinc/32/99/55/296329955.db2.gz UTEZNCGNAQIHTL-MDZRGWNJSA-N 2 1 319.493 2.938 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000623902756 399490666 /nfs/dbraw/zinc/49/06/66/399490666.db2.gz PFDIXBYPQUAMAT-RHSMWYFYSA-N 2 1 318.465 2.609 20 0 DFADMP COC(=O)c1csc(C[NH2+]CC2(C[NH+](C)C)CCCC2)c1 ZINC000602614039 399490937 /nfs/dbraw/zinc/49/09/37/399490937.db2.gz AZMPJUXVHAMXNX-UHFFFAOYSA-N 2 1 310.463 2.746 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCOC[C@@H]3CCOC3)CC[NH2+]2)cc1 ZINC000422788707 296332900 /nfs/dbraw/zinc/33/29/00/296332900.db2.gz STTVIWNBYJXWMM-UHOSZYNNSA-N 2 1 318.461 2.513 20 0 DFADMP CC[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422801470 296335556 /nfs/dbraw/zinc/33/55/56/296335556.db2.gz BZKJSABIYSSHRS-SNRMKQJTSA-N 2 1 301.478 2.553 20 0 DFADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422803039 296335761 /nfs/dbraw/zinc/33/57/61/296335761.db2.gz CHUSYAMAMOCCSV-ROUUACIJSA-N 2 1 317.477 2.918 20 0 DFADMP [NH3+][C@@H]1C[C@H](NCC[N@H+]2CCc3ccccc3C2)c2ccccc21 ZINC000422805649 296336192 /nfs/dbraw/zinc/33/61/92/296336192.db2.gz MKZJXQIKNKCMBL-UXHICEINSA-N 2 1 307.441 2.779 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(C(=O)N(C)C)c1 ZINC000422806984 296336635 /nfs/dbraw/zinc/33/66/35/296336635.db2.gz LLVYTKSFPQWNSU-YJBOKZPZSA-N 2 1 317.477 2.789 20 0 DFADMP CC[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422807021 296336637 /nfs/dbraw/zinc/33/66/37/296336637.db2.gz LOXRJYYPRCDPFI-VQTJNVASSA-N 2 1 315.505 2.945 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631842156 399505836 /nfs/dbraw/zinc/50/58/36/399505836.db2.gz WHQKTDGYLDREMP-CRAIPNDOSA-N 2 1 323.440 2.966 20 0 DFADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812181 296337560 /nfs/dbraw/zinc/33/75/60/296337560.db2.gz VSYUQLPWHNCURF-VQIMIIECSA-N 2 1 301.478 2.555 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843146 399506684 /nfs/dbraw/zinc/50/66/84/399506684.db2.gz JUKDXQJGFQVEIS-JYJNAYRXSA-N 2 1 317.477 2.972 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000631843146 399506688 /nfs/dbraw/zinc/50/66/88/399506688.db2.gz JUKDXQJGFQVEIS-JYJNAYRXSA-N 2 1 317.477 2.972 20 0 DFADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823574 296339809 /nfs/dbraw/zinc/33/98/09/296339809.db2.gz LUAMPNVPYLCLBX-MJGOQNOKSA-N 2 1 317.477 2.564 20 0 DFADMP CCCN(CC)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823574 296339811 /nfs/dbraw/zinc/33/98/11/296339811.db2.gz LUAMPNVPYLCLBX-MJGOQNOKSA-N 2 1 317.477 2.564 20 0 DFADMP c1c(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc2n1CCCC2 ZINC000422831149 296341245 /nfs/dbraw/zinc/34/12/45/296341245.db2.gz JFENKKCAHLLOIX-PKOBYXMFSA-N 2 1 324.472 2.845 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422828392 296340371 /nfs/dbraw/zinc/34/03/71/296340371.db2.gz APYVSWHYAPMFDO-JFRXWTBNSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)[C@@H]1CCCC[NH2+]1 ZINC000422829509 296340691 /nfs/dbraw/zinc/34/06/91/296340691.db2.gz UPHIIGACIKBNKS-HIFRSBDPSA-N 2 1 304.434 2.813 20 0 DFADMP CC[C@@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834057 296341627 /nfs/dbraw/zinc/34/16/27/296341627.db2.gz NGDAMSRRFTWZDK-QRVBRYPASA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]1 ZINC000422834951 296341702 /nfs/dbraw/zinc/34/17/02/296341702.db2.gz HZWQVDBPUJQBGD-YQQAZPJKSA-N 2 1 307.507 2.690 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000422844088 296343500 /nfs/dbraw/zinc/34/35/00/296343500.db2.gz KTUPTJDIHXDOAR-JKSUJKDBSA-N 2 1 311.539 2.598 20 0 DFADMP COCCOCCCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422845580 296343655 /nfs/dbraw/zinc/34/36/55/296343655.db2.gz CJHWXVPDQLDMFS-MSOLQXFVSA-N 2 1 306.450 2.513 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CCCC[C@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000422876985 296348935 /nfs/dbraw/zinc/34/89/35/296348935.db2.gz HCUIVISAZFEWIJ-BBWFWOEESA-N 2 1 305.466 2.832 20 0 DFADMP CC[N@@H+](CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883877 296350009 /nfs/dbraw/zinc/35/00/09/296350009.db2.gz VUXALTNBLLUYTR-IEBWSBKVSA-N 2 1 317.477 2.562 20 0 DFADMP CCN(CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883877 296350010 /nfs/dbraw/zinc/35/00/10/296350010.db2.gz VUXALTNBLLUYTR-IEBWSBKVSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422883130 296350032 /nfs/dbraw/zinc/35/00/32/296350032.db2.gz BQTDQQDTRLNGIA-MJQMVNBJSA-N 2 1 303.494 2.797 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884341 296350114 /nfs/dbraw/zinc/35/01/14/296350114.db2.gz RWBBFLXSMLQZIR-DMUMMCEESA-N 2 1 317.521 2.903 20 0 DFADMP CCCOc1ccc(C[NH2+]C2CC[NH2+]CC2)c(OC(F)F)c1 ZINC000422886125 296350548 /nfs/dbraw/zinc/35/05/48/296350548.db2.gz HRHACNMJONVDDW-UHFFFAOYSA-N 2 1 314.376 2.918 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422891624 296351559 /nfs/dbraw/zinc/35/15/59/296351559.db2.gz KYCQIACCRMKRJH-QGTPRVQTSA-N 2 1 317.477 2.965 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000119646290 195008767 /nfs/dbraw/zinc/00/87/67/195008767.db2.gz CZBAVRJXOMXGON-ZACQAIPSSA-N 2 1 317.477 2.594 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H](C)[C@H]2CCC[NH2+]2)cc1F ZINC000422899383 296352766 /nfs/dbraw/zinc/35/27/66/296352766.db2.gz HIWKNXDWOGNEER-BLLLJJGKSA-N 2 1 302.397 2.550 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CCC[C@H]1C[NH3+] ZINC000422897343 296352521 /nfs/dbraw/zinc/35/25/21/296352521.db2.gz ZQMYHNDQSOQMQX-FUHWJXTLSA-N 2 1 319.493 2.624 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000422905661 296354348 /nfs/dbraw/zinc/35/43/48/296354348.db2.gz IOFHFJZVUDBQKA-QWQRMKEZSA-N 2 1 323.431 2.659 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000119823440 195044566 /nfs/dbraw/zinc/04/45/66/195044566.db2.gz GRNTZCUAKWSGDV-YOEHRIQHSA-N 2 1 303.450 2.711 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccncc2)cs1)[C@H]1CC[NH2+]C1 ZINC000422913402 296354972 /nfs/dbraw/zinc/35/49/72/296354972.db2.gz PXTZPTUTXAWOEB-DYEKYZERSA-N 2 1 302.447 2.854 20 0 DFADMP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2C[C@@H](N)c3ccccc32)C[C@@H](C)O1 ZINC000422913701 296355210 /nfs/dbraw/zinc/35/52/10/296355210.db2.gz QOHFUKABGIIKSM-OHDICMOHSA-N 2 1 317.477 2.610 20 0 DFADMP C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422929284 296356462 /nfs/dbraw/zinc/35/64/62/296356462.db2.gz PCKIIPBODKFTAA-IUODEOHRSA-N 2 1 324.852 2.774 20 0 DFADMP C[C@H]([NH2+]CCc1ccccc1OC(F)(F)F)[C@@H]1CCC[NH2+]1 ZINC000422931550 296356832 /nfs/dbraw/zinc/35/68/32/296356832.db2.gz XULGEMFFLOGRSY-AAEUAGOBSA-N 2 1 302.340 2.858 20 0 DFADMP C[C@H]([NH2+]CCc1ccc(F)c(Br)c1)[C@H]1CCC[NH2+]1 ZINC000422933684 296357068 /nfs/dbraw/zinc/35/70/68/296357068.db2.gz IDQBYJJRKNWBRD-IINYFYTJSA-N 2 1 315.230 2.861 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ncccc1Cl ZINC000422931566 296357148 /nfs/dbraw/zinc/35/71/48/296357148.db2.gz XVCKSWIKRLPZKA-CZUORRHYSA-N 2 1 319.836 2.662 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000422939209 296358213 /nfs/dbraw/zinc/35/82/13/296358213.db2.gz RARDYFVOBOHIKY-MNOVXSKESA-N 2 1 313.239 2.545 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1 ZINC000422935974 296357468 /nfs/dbraw/zinc/35/74/68/296357468.db2.gz LLDVPYCXTMULHP-ZJUUUORDSA-N 2 1 301.228 2.673 20 0 DFADMP C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCC[NH2+]1 ZINC000422958902 296361089 /nfs/dbraw/zinc/36/10/89/296361089.db2.gz ZHDFPDQQIZARQS-YYAJDYIMSA-N 2 1 317.477 2.848 20 0 DFADMP CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422952893 296360261 /nfs/dbraw/zinc/36/02/61/296360261.db2.gz CNYPHQKGJCTLGH-JKSUJKDBSA-N 2 1 323.868 2.580 20 0 DFADMP C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@H]1CCC[NH2+]1 ZINC000422954468 296360302 /nfs/dbraw/zinc/36/03/02/296360302.db2.gz ITWONTTVFDETNW-DZGCQCFKSA-N 2 1 316.474 2.868 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)N(C)C ZINC000422968598 296362519 /nfs/dbraw/zinc/36/25/19/296362519.db2.gz XGSFSLLCJDHNTE-ACJLOTCBSA-N 2 1 306.498 2.866 20 0 DFADMP Cc1cc(C[C@@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000422993778 296364841 /nfs/dbraw/zinc/36/48/41/296364841.db2.gz GFGKAOIPCHOCCQ-OGWOLHLISA-N 2 1 312.461 2.842 20 0 DFADMP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000422993781 296364938 /nfs/dbraw/zinc/36/49/38/296364938.db2.gz GFGKAOIPCHOCCQ-URLQWDBASA-N 2 1 312.461 2.842 20 0 DFADMP CC[C@@H]([NH2+]CCOCc1ccc(OC)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422998627 296365434 /nfs/dbraw/zinc/36/54/34/296365434.db2.gz WMPFOMFSXICFHM-MSOLQXFVSA-N 2 1 306.450 2.722 20 0 DFADMP Fc1cccnc1OCC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422998046 296365676 /nfs/dbraw/zinc/36/56/76/296365676.db2.gz PIPNOAFIRLUOCL-WBVHZDCISA-N 2 1 315.392 2.682 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423009716 296366998 /nfs/dbraw/zinc/36/69/98/296366998.db2.gz DMKCNYRJLJGPDE-WBQNTZJQSA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423009716 296367000 /nfs/dbraw/zinc/36/70/00/296367000.db2.gz DMKCNYRJLJGPDE-WBQNTZJQSA-N 2 1 307.869 2.815 20 0 DFADMP COC[C@@H]([NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1ccc(C)o1 ZINC000423009151 296367165 /nfs/dbraw/zinc/36/71/65/296367165.db2.gz UYGFRWABDIVRPE-CZUORRHYSA-N 2 1 303.406 2.788 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423003862 296366412 /nfs/dbraw/zinc/36/64/12/296366412.db2.gz NKSNLFUKNFFCCL-KDOFPFPSSA-N 2 1 308.429 2.654 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+]CCc3cnc(C4CC4)nc3)CC[NH2+]2)cc1 ZINC000423015289 296368296 /nfs/dbraw/zinc/36/82/96/296368296.db2.gz QQXGKYVBNQUXNL-RTBURBONSA-N 2 1 322.456 2.979 20 0 DFADMP C[N@@H+](Cc1cccnc1C(F)(F)F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000625374405 399537198 /nfs/dbraw/zinc/53/71/98/399537198.db2.gz PSWKWWAIJUVQEM-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1cccnc1C(F)(F)F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000625374405 399537202 /nfs/dbraw/zinc/53/72/02/399537202.db2.gz PSWKWWAIJUVQEM-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423021659 296369008 /nfs/dbraw/zinc/36/90/08/296369008.db2.gz FUCQCMDEQRRZNJ-HCXYKTFWSA-N 2 1 318.436 2.950 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423022479 296368856 /nfs/dbraw/zinc/36/88/56/296368856.db2.gz HSOPZBABBBMTIZ-ZIAGYGMSSA-N 2 1 315.417 2.868 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423029777 296369517 /nfs/dbraw/zinc/36/95/17/296369517.db2.gz VKZJUBSGUPPTIV-XHBSWPGZSA-N 2 1 311.832 2.788 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000423027914 296369542 /nfs/dbraw/zinc/36/95/42/296369542.db2.gz RVRZALCGHLQLOX-LXTVHRRPSA-N 2 1 316.367 2.771 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423029774 296369565 /nfs/dbraw/zinc/36/95/65/296369565.db2.gz VKZJUBSGUPPTIV-MQIPJXDCSA-N 2 1 311.832 2.788 20 0 DFADMP CCC[N@H+](C)CC(C)(C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000620621437 399545851 /nfs/dbraw/zinc/54/58/51/399545851.db2.gz XOXRWEZRZXNDAO-CQSZACIVSA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000620621437 399545854 /nfs/dbraw/zinc/54/58/54/399545854.db2.gz XOXRWEZRZXNDAO-CQSZACIVSA-N 2 1 308.470 2.633 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423046098 296371630 /nfs/dbraw/zinc/37/16/30/296371630.db2.gz DCXWACNAPIUKHD-SJLPKXTDSA-N 2 1 302.462 2.961 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423046013 296371668 /nfs/dbraw/zinc/37/16/68/296371668.db2.gz DTTRQEDXZMZAFN-JSGCOSHPSA-N 2 1 308.223 2.900 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423055857 296372871 /nfs/dbraw/zinc/37/28/71/296372871.db2.gz DTGBYKZGJPYTON-MISXGVKJSA-N 2 1 317.355 2.628 20 0 DFADMP Cc1ccccc1C[C@H](CO)[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423062059 296373478 /nfs/dbraw/zinc/37/34/78/296373478.db2.gz SFDPWSCIVUCIQD-NJDAHSKKSA-N 2 1 324.468 2.981 20 0 DFADMP C[C@@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059359 296373046 /nfs/dbraw/zinc/37/30/46/296373046.db2.gz FKIDQLCDZVIJQG-LZQZEXGQSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H](O)[C@](C)(C[NH2+][C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000423068179 296374457 /nfs/dbraw/zinc/37/44/57/296374457.db2.gz BCBVHNVSYACKTB-KHYOSLBOSA-N 2 1 313.445 2.775 20 0 DFADMP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000423063791 296373887 /nfs/dbraw/zinc/37/38/87/296373887.db2.gz PUWRZNMRBSBRGL-KZNAEPCWSA-N 2 1 324.509 2.720 20 0 DFADMP CC[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000423070578 296375007 /nfs/dbraw/zinc/37/50/07/296375007.db2.gz GGQQATQGJVBVGT-IPMKNSEASA-N 2 1 304.478 2.738 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423081985 296376136 /nfs/dbraw/zinc/37/61/36/296376136.db2.gz CGCJEKFFITZURJ-IPMKNSEASA-N 3 1 301.478 2.758 20 0 DFADMP C[C@](CO)(C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423079032 296375843 /nfs/dbraw/zinc/37/58/43/296375843.db2.gz PRWNVFNWQKTMOY-HSALFYBXSA-N 2 1 310.441 2.962 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624101211 399553772 /nfs/dbraw/zinc/55/37/72/399553772.db2.gz QOFXJAMPHBLNSU-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624101211 399553776 /nfs/dbraw/zinc/55/37/76/399553776.db2.gz QOFXJAMPHBLNSU-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC[C@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624101211 399553779 /nfs/dbraw/zinc/55/37/79/399553779.db2.gz QOFXJAMPHBLNSU-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624101211 399553784 /nfs/dbraw/zinc/55/37/84/399553784.db2.gz QOFXJAMPHBLNSU-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCN1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624101211 399553787 /nfs/dbraw/zinc/55/37/87/399553787.db2.gz QOFXJAMPHBLNSU-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423088745 296376952 /nfs/dbraw/zinc/37/69/52/296376952.db2.gz SOLVLXHHACFRNJ-WPPJOMGTSA-N 2 1 319.415 2.509 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158779922 197300791 /nfs/dbraw/zinc/30/07/91/197300791.db2.gz QOOKXQYMRZFHIO-APWZRJJASA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158779922 197300793 /nfs/dbraw/zinc/30/07/93/197300793.db2.gz QOOKXQYMRZFHIO-APWZRJJASA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158779922 197300795 /nfs/dbraw/zinc/30/07/95/197300795.db2.gz QOOKXQYMRZFHIO-APWZRJJASA-N 2 1 318.461 2.880 20 0 DFADMP CC(C)[NH+]1CCC(N(C)Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347676191 285126010 /nfs/dbraw/zinc/12/60/10/285126010.db2.gz PLFZYBKTKLJHND-UHFFFAOYSA-N 2 1 310.511 2.509 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000423094837 296377669 /nfs/dbraw/zinc/37/76/69/296377669.db2.gz CUWFMLOYWYHYPK-DOTOQJQBSA-N 2 1 315.461 2.824 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000423095444 296377768 /nfs/dbraw/zinc/37/77/68/296377768.db2.gz MFHWJGAVTKVRGJ-XDNAFOTISA-N 2 1 316.445 2.801 20 0 DFADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C3)C2)cc1Br ZINC000423101977 296378597 /nfs/dbraw/zinc/37/85/97/296378597.db2.gz WSYPILDRDVRNTB-IJLUTSLNSA-N 2 1 313.214 2.786 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]1 ZINC000423103757 296378603 /nfs/dbraw/zinc/37/86/03/296378603.db2.gz GLXJDBNWRYXTNW-RGXXSHLXSA-N 2 1 310.388 2.995 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000624121589 399560298 /nfs/dbraw/zinc/56/02/98/399560298.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+]1CCCC[C@@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000624121589 399560301 /nfs/dbraw/zinc/56/03/01/399560301.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+]1CCCC[C@@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000624121589 399560304 /nfs/dbraw/zinc/56/03/04/399560304.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+]1CCCC[C@@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000624121589 399560309 /nfs/dbraw/zinc/56/03/09/399560309.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH+]1CCCC[C@@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000624121589 399560312 /nfs/dbraw/zinc/56/03/12/399560312.db2.gz YIKCDMBAHCWSBK-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2cc(C)ccn2)CC1 ZINC000272935182 210322006 /nfs/dbraw/zinc/32/20/06/210322006.db2.gz KLDUGRXXKRCRAW-UHFFFAOYSA-N 2 1 314.433 2.828 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000423108285 296379223 /nfs/dbraw/zinc/37/92/23/296379223.db2.gz QVTCYCJWRHETQA-WBVHZDCISA-N 2 1 311.429 2.748 20 0 DFADMP C[N@H+]1CCCC[C@H](CN[C@H](c2ccccc2)c2cncnc2)C1 ZINC000624122705 399559990 /nfs/dbraw/zinc/55/99/90/399559990.db2.gz ZAZRCPKRHKSNJQ-VQIMIIECSA-N 2 1 310.445 2.888 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)CCCCC1 ZINC000616999857 399561717 /nfs/dbraw/zinc/56/17/17/399561717.db2.gz PCSJTWRIBOIHES-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP CCc1noc(C2CCC([NH2+]C[C@@H]3CCCC[N@@H+](C)C3)CC2)n1 ZINC000624122632 399561056 /nfs/dbraw/zinc/56/10/56/399561056.db2.gz XDWJQPRNHKJCCI-FHERZECASA-N 2 1 320.481 2.980 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423112617 296380024 /nfs/dbraw/zinc/38/00/24/296380024.db2.gz SFMUWUQOBGCXCG-SFYZADRCSA-N 2 1 307.182 2.943 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@@H](C)[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423131881 296382233 /nfs/dbraw/zinc/38/22/33/296382233.db2.gz TVOFSMKCJRLXRM-IEZWGBDMSA-N 2 1 319.493 2.664 20 0 DFADMP C[C@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@H]1CCCC[NH2+]1 ZINC000423136329 296383077 /nfs/dbraw/zinc/38/30/77/296383077.db2.gz PBUCJVNGORUWHX-SMDDNHRTSA-N 2 1 301.356 2.763 20 0 DFADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423137267 296383144 /nfs/dbraw/zinc/38/31/44/296383144.db2.gz QLZKCIDVAWDJDZ-PKOBYXMFSA-N 2 1 303.494 2.801 20 0 DFADMP FC(F)(F)Oc1ccc(C2([NH2+]C3CC[NH2+]CC3)CC2)cc1 ZINC000423145364 296384272 /nfs/dbraw/zinc/38/42/72/296384272.db2.gz KKRMTPBOHZVXLG-UHFFFAOYSA-N 2 1 300.324 2.916 20 0 DFADMP c1ccc2c(c1)SC[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423144656 296384453 /nfs/dbraw/zinc/38/44/53/296384453.db2.gz HPXWLDBHCBVAFC-LLLHUVSDSA-N 2 1 318.486 2.623 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347753166 285159764 /nfs/dbraw/zinc/15/97/64/285159764.db2.gz OSFAATDYQSXXMM-KRWDZBQOSA-N 2 1 309.498 2.633 20 0 DFADMP C[NH+](C)[C@H](CC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617009387 399571013 /nfs/dbraw/zinc/57/10/13/399571013.db2.gz XZWHIZVMYLAITB-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423179769 296388948 /nfs/dbraw/zinc/38/89/48/296388948.db2.gz KDAAUHFNQOWIHH-RYQLBKOJSA-N 2 1 305.441 2.915 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C12CCCC2 ZINC000423185920 296389839 /nfs/dbraw/zinc/38/98/39/296389839.db2.gz KGCONPPBYCTMJF-QZTJIDSGSA-N 2 1 317.477 2.889 20 0 DFADMP Fc1cc(Br)cc2c1CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423192528 296390322 /nfs/dbraw/zinc/39/03/22/296390322.db2.gz VSJFTTVXLYRNNV-CQSZACIVSA-N 2 1 313.214 2.917 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)c1ccccc1 ZINC000617014004 399574333 /nfs/dbraw/zinc/57/43/33/399574333.db2.gz DPFBTUXBEXYXSV-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H]1CC[NH+]1C(C)(C)C)c1ccccc1 ZINC000617014004 399574338 /nfs/dbraw/zinc/57/43/38/399574338.db2.gz DPFBTUXBEXYXSV-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617014004 399574342 /nfs/dbraw/zinc/57/43/42/399574342.db2.gz DPFBTUXBEXYXSV-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617014004 399574347 /nfs/dbraw/zinc/57/43/47/399574347.db2.gz DPFBTUXBEXYXSV-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423187308 296390052 /nfs/dbraw/zinc/39/00/52/296390052.db2.gz MIWMGQRSYAWSHM-OAHLLOKOSA-N 2 1 316.474 2.993 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423202076 296391831 /nfs/dbraw/zinc/39/18/31/296391831.db2.gz ALFVMOLAEAORPP-ZIAGYGMSSA-N 2 1 320.433 2.731 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423205028 296392283 /nfs/dbraw/zinc/39/22/83/296392283.db2.gz BKGTZWDYTIIKSO-NMLBUPMWSA-N 2 1 313.489 2.629 20 0 DFADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423200591 296391970 /nfs/dbraw/zinc/39/19/70/296391970.db2.gz MTHAORBOFZVGED-QRVBRYPASA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423200591 296391971 /nfs/dbraw/zinc/39/19/71/296391971.db2.gz MTHAORBOFZVGED-QRVBRYPASA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423200591 296391973 /nfs/dbraw/zinc/39/19/73/296391973.db2.gz MTHAORBOFZVGED-QRVBRYPASA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423201498 296392045 /nfs/dbraw/zinc/39/20/45/296392045.db2.gz PBCNMJVCAPDWQT-SLFFLAALSA-N 2 1 315.505 2.876 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423201498 296392047 /nfs/dbraw/zinc/39/20/47/296392047.db2.gz PBCNMJVCAPDWQT-SLFFLAALSA-N 3 1 315.505 2.876 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423201498 296392048 /nfs/dbraw/zinc/39/20/48/296392048.db2.gz PBCNMJVCAPDWQT-SLFFLAALSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1nc2ccc(Cl)cc2n1C ZINC000423218694 296393806 /nfs/dbraw/zinc/39/38/06/296393806.db2.gz VTNYRONADBZYHB-NWDGAFQWSA-N 2 1 306.841 2.877 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@@H](CC)C1 ZINC000347812906 285185716 /nfs/dbraw/zinc/18/57/16/285185716.db2.gz JQADAMDLRDFTSA-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000347812906 285185718 /nfs/dbraw/zinc/18/57/18/285185718.db2.gz JQADAMDLRDFTSA-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000347812906 285185719 /nfs/dbraw/zinc/18/57/19/285185719.db2.gz JQADAMDLRDFTSA-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000347812917 285186089 /nfs/dbraw/zinc/18/60/89/285186089.db2.gz JWKSMXFFSIJFNP-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000347812917 285186092 /nfs/dbraw/zinc/18/60/92/285186092.db2.gz JWKSMXFFSIJFNP-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000347812917 285186096 /nfs/dbraw/zinc/18/60/96/285186096.db2.gz JWKSMXFFSIJFNP-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2cccc(OC3CCCC3)c2)CCOCC1 ZINC000629387365 399589921 /nfs/dbraw/zinc/58/99/21/399589921.db2.gz FRAFWCWTJVJHPZ-UHFFFAOYSA-N 2 1 304.434 2.606 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000423250889 296396822 /nfs/dbraw/zinc/39/68/22/296396822.db2.gz REFSAPKCSOKRCY-MJGOQNOKSA-N 2 1 315.505 2.671 20 0 DFADMP CCC(CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000156948506 197151627 /nfs/dbraw/zinc/15/16/27/197151627.db2.gz NHUJWBZULVKOQU-QGZVFWFLSA-N 2 1 317.477 2.662 20 0 DFADMP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccccn2)CC1)C1CCCCC1 ZINC000423263810 296398233 /nfs/dbraw/zinc/39/82/33/296398233.db2.gz OZXNPVCTKOBKDO-LJQANCHMSA-N 2 1 316.493 2.543 20 0 DFADMP CC(C)C[C@@H](CN)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258150 296397766 /nfs/dbraw/zinc/39/77/66/296397766.db2.gz BDNKARQKZKCFKC-WBVHZDCISA-N 2 1 307.482 2.651 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258150 296397768 /nfs/dbraw/zinc/39/77/68/296397768.db2.gz BDNKARQKZKCFKC-WBVHZDCISA-N 3 1 307.482 2.651 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423262639 296397995 /nfs/dbraw/zinc/39/79/95/296397995.db2.gz NAIZCOCYEGUMNA-NVXWUHKLSA-N 2 1 305.466 2.547 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423272103 296399198 /nfs/dbraw/zinc/39/91/98/296399198.db2.gz YKMCRGUWXCNGHJ-RHSMWYFYSA-N 2 1 303.450 2.901 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H](C)C[NH2+]C)CCC2 ZINC000423274044 296399462 /nfs/dbraw/zinc/39/94/62/296399462.db2.gz LPPCHVJYRHMJJP-WCQYABFASA-N 2 1 308.422 2.587 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H](C)C[NH2+]C)CCC2 ZINC000423274045 296399493 /nfs/dbraw/zinc/39/94/93/296399493.db2.gz LPPCHVJYRHMJJP-YPMHNXCESA-N 2 1 308.422 2.587 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423268938 296398867 /nfs/dbraw/zinc/39/88/67/296398867.db2.gz FGRRAWVMVWFCND-DOMZBBRYSA-N 2 1 309.251 2.633 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)s1 ZINC000347846482 285204086 /nfs/dbraw/zinc/20/40/86/285204086.db2.gz NMQLHGGLYGMWPP-OAHLLOKOSA-N 2 1 322.522 2.655 20 0 DFADMP Clc1cc(Br)cc2c1CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423303687 296402459 /nfs/dbraw/zinc/40/24/59/296402459.db2.gz MMXWWNKAXIDPNY-ZDUSSCGKSA-N 2 1 315.642 2.899 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000347866772 285216486 /nfs/dbraw/zinc/21/64/86/285216486.db2.gz PVVFXYVCHQUNTH-KBPBESRZSA-N 2 1 310.511 2.509 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000347866772 285216489 /nfs/dbraw/zinc/21/64/89/285216489.db2.gz PVVFXYVCHQUNTH-KBPBESRZSA-N 2 1 310.511 2.509 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3ccnn3c2)c1 ZINC000624217545 399601665 /nfs/dbraw/zinc/60/16/65/399601665.db2.gz XESCKNKXIKMECL-UHFFFAOYSA-N 2 1 323.444 2.859 20 0 DFADMP Fc1ccc(Br)c2c1CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000423345968 296406951 /nfs/dbraw/zinc/40/69/51/296406951.db2.gz PHHUIOJWZCCVQX-RNCFNFMXSA-N 2 1 313.214 2.775 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292367465 533163295 /nfs/dbraw/zinc/16/32/95/533163295.db2.gz RRZSGSVFGPIEOK-GOSISDBHSA-N 2 1 315.392 2.915 20 0 DFADMP COc1cc([C@H](C)[NH2+]Cc2ccc3c(c2)C[NH2+]C3)c(F)cn1 ZINC000423370958 296409994 /nfs/dbraw/zinc/40/99/94/296409994.db2.gz GDSMWKDJFPTRAW-NSHDSACASA-N 2 1 301.365 2.683 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423401496 296412898 /nfs/dbraw/zinc/41/28/98/296412898.db2.gz QXLAUTYITMDSHZ-DFBGVHRSSA-N 2 1 316.367 2.981 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000066042971 542457224 /nfs/dbraw/zinc/45/72/24/542457224.db2.gz ZQPLAAHLDSSWQV-MRXNPFEDSA-N 2 1 317.477 2.715 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602878017 399612569 /nfs/dbraw/zinc/61/25/69/399612569.db2.gz OISOYRBBYDURNA-QGZVFWFLSA-N 2 1 316.445 2.627 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)c1cnccn1 ZINC000423464668 296418737 /nfs/dbraw/zinc/41/87/37/296418737.db2.gz GVILKTCGTJXJLG-JLJPHGGASA-N 2 1 314.408 2.660 20 0 DFADMP Fc1ccc(F)c2c1CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423483884 296421104 /nfs/dbraw/zinc/42/11/04/296421104.db2.gz SAJDYHXFEJIQCV-ZANVPECISA-N 2 1 302.315 2.787 20 0 DFADMP COc1ccccc1[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423496374 296422255 /nfs/dbraw/zinc/42/22/55/296422255.db2.gz WRGCLNWJSGJIRB-LPHOPBHVSA-N 2 1 318.461 2.895 20 0 DFADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)s1 ZINC000423490137 296421572 /nfs/dbraw/zinc/42/15/72/296421572.db2.gz YCTHRJOQISMVLN-MWLCHTKSSA-N 2 1 303.422 2.909 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC1 ZINC000423503267 296422971 /nfs/dbraw/zinc/42/29/71/296422971.db2.gz KIKMGCKFMKNSBU-IMFGXOCKSA-N 2 1 315.505 2.799 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000120418932 195163161 /nfs/dbraw/zinc/16/31/61/195163161.db2.gz KMTUJKNTJIFCAB-HNNXBMFYSA-N 2 1 304.434 2.984 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000423528472 296426685 /nfs/dbraw/zinc/42/66/85/296426685.db2.gz OGUFPOZGQXZGQI-AWEZNQCLSA-N 2 1 301.434 2.606 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(OC(F)(F)F)c1 ZINC000423527370 296426694 /nfs/dbraw/zinc/42/66/94/296426694.db2.gz VSPGODHQVASZNJ-RISCZKNCSA-N 2 1 318.339 2.614 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OC(F)F)cc1 ZINC000423530274 296427058 /nfs/dbraw/zinc/42/70/58/296427058.db2.gz YSBPTYZHSBNEIW-CABCVRRESA-N 2 1 314.376 2.707 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295037634 533209342 /nfs/dbraw/zinc/20/93/42/533209342.db2.gz NQHNBKRBLATAGM-RBUKOAKNSA-N 2 1 302.462 2.662 20 0 DFADMP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]Cc3ccc[nH]c3=O)CC2)C1 ZINC000624257792 399617999 /nfs/dbraw/zinc/61/79/99/399617999.db2.gz QLHHEGPVGGNVMR-YOEHRIQHSA-N 2 1 303.450 2.920 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1ccsc1C ZINC000294423703 285281883 /nfs/dbraw/zinc/28/18/83/285281883.db2.gz FJAADAKTNRBYFP-HNNXBMFYSA-N 2 1 323.506 2.545 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000289491178 221015437 /nfs/dbraw/zinc/01/54/37/221015437.db2.gz RPMMSCFKNOZLAZ-FQEVSTJZSA-N 2 1 317.521 2.996 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1 ZINC000289475594 221001998 /nfs/dbraw/zinc/00/19/98/221001998.db2.gz XLLKCUXUOJIUCV-DLBZAZTESA-N 2 1 320.387 2.505 20 0 DFADMP COCCOCc1ccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000289578247 221080657 /nfs/dbraw/zinc/08/06/57/221080657.db2.gz HUBJDOCBVOPGFW-IBGZPJMESA-N 2 1 320.477 2.766 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Br)nc1 ZINC000289632087 221116658 /nfs/dbraw/zinc/11/66/58/221116658.db2.gz HITYEGOSFLWHPD-SNVBAGLBSA-N 2 1 309.211 2.700 20 0 DFADMP Cc1nnc(CC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)s1 ZINC000289683465 221151638 /nfs/dbraw/zinc/15/16/38/221151638.db2.gz CNFFRWSKJUMUQQ-UHFFFAOYSA-N 2 1 316.474 2.643 20 0 DFADMP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512922 399630614 /nfs/dbraw/zinc/63/06/14/399630614.db2.gz CZOGNTZJCADSGI-DXEWXGHRSA-N 2 1 324.852 2.545 20 0 DFADMP CCC[C@H](C)CCC[N@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000629517013 399632761 /nfs/dbraw/zinc/63/27/61/399632761.db2.gz XWQJFZZPHVLPCO-OKZBNKHCSA-N 2 1 323.525 2.783 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000629516607 399632901 /nfs/dbraw/zinc/63/29/01/399632901.db2.gz LNTCBDQXTAREPJ-CGTJXYLNSA-N 2 1 306.425 2.977 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289798331 221233179 /nfs/dbraw/zinc/23/31/79/221233179.db2.gz RAYDKHBRGVBVMK-CQSZACIVSA-N 2 1 324.432 2.507 20 0 DFADMP Cc1cc2c(cc1C)[C@@H]([NH2+]CC1([NH3+])CCOCC1)CCCO2 ZINC000629520547 399634075 /nfs/dbraw/zinc/63/40/75/399634075.db2.gz HAWHPOINZQUKEE-INIZCTEOSA-N 2 1 304.434 2.615 20 0 DFADMP COc1cc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)ccc1SC ZINC000629520328 399634186 /nfs/dbraw/zinc/63/41/86/399634186.db2.gz GKJGCDFZDYLCKS-LBPRGKRZSA-N 2 1 310.463 2.576 20 0 DFADMP [NH3+]C1(C[NH2+][C@H]2CCCOc3c(Cl)cccc32)CCOCC1 ZINC000629521358 399634264 /nfs/dbraw/zinc/63/42/64/399634264.db2.gz NLPHTFVXDZTRRR-AWEZNQCLSA-N 2 1 310.825 2.651 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000289824066 221250491 /nfs/dbraw/zinc/25/04/91/221250491.db2.gz SVZLZXLGEONXBL-LJQANCHMSA-N 2 1 320.477 2.671 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1O ZINC000289827639 221251681 /nfs/dbraw/zinc/25/16/81/221251681.db2.gz QBUBHLBSHWJGNX-CHWSQXEVSA-N 2 1 303.406 2.893 20 0 DFADMP OCc1ccc(F)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000629532033 399638047 /nfs/dbraw/zinc/63/80/47/399638047.db2.gz JCAQWQBWVRHTLJ-HOTGVXAUSA-N 2 1 306.425 2.530 20 0 DFADMP C[C@@H]1CSC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294946830 224330420 /nfs/dbraw/zinc/33/04/20/224330420.db2.gz FEHNVBDVAYPTKQ-KBAYOESNSA-N 2 1 304.503 2.892 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2cn[nH]c2)CC1 ZINC000289994747 221367772 /nfs/dbraw/zinc/36/77/72/221367772.db2.gz KRLMQZCYWRARKR-UHFFFAOYSA-N 2 1 312.461 2.796 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[NH2+]1 ZINC000629535700 399639056 /nfs/dbraw/zinc/63/90/56/399639056.db2.gz DOIXDKIETLMLQN-XNDRKVBMSA-N 2 1 313.445 2.549 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000348065811 285327207 /nfs/dbraw/zinc/32/72/07/285327207.db2.gz ALSGMRCBURHMSJ-NHCUHLMSSA-N 2 1 322.452 2.901 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000348065811 285327225 /nfs/dbraw/zinc/32/72/25/285327225.db2.gz ALSGMRCBURHMSJ-NHCUHLMSSA-N 2 1 322.452 2.901 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCc2ccccc2C(=O)OC)CC1 ZINC000602966325 399641852 /nfs/dbraw/zinc/64/18/52/399641852.db2.gz ASMRKSWSXIVJQU-UHFFFAOYSA-N 2 1 318.461 2.822 20 0 DFADMP C[N@@H+](CCCOc1cccc2ccccc21)CCOCC[NH3+] ZINC000629579050 399653766 /nfs/dbraw/zinc/65/37/66/399653766.db2.gz PFMHUVQCGYXLEU-UHFFFAOYSA-N 2 1 302.418 2.516 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(Cl)c(C(F)(F)F)c1 ZINC000629581146 399654284 /nfs/dbraw/zinc/65/42/84/399654284.db2.gz OPFLXLKUIIFQCE-UHFFFAOYSA-N 2 1 310.747 2.766 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000629582282 399655315 /nfs/dbraw/zinc/65/53/15/399655315.db2.gz RBIVQECKYJTGLS-MRXNPFEDSA-N 2 1 312.413 2.501 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000629544939 399642933 /nfs/dbraw/zinc/64/29/33/399642933.db2.gz OEWJXLRZLGUCJI-CJSSEVFESA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000629544938 399643110 /nfs/dbraw/zinc/64/31/10/399643110.db2.gz OEWJXLRZLGUCJI-AEEMCCEDSA-N 2 1 313.489 2.627 20 0 DFADMP Fc1ccc([C@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552069 399645192 /nfs/dbraw/zinc/64/51/92/399645192.db2.gz ZPRVYHZYLASUSB-GJZGRUSLSA-N 2 1 322.399 2.665 20 0 DFADMP C[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc2ccccc21 ZINC000629551542 399645464 /nfs/dbraw/zinc/64/54/64/399645464.db2.gz VAESMPXSGGOLOC-RHSMWYFYSA-N 2 1 321.428 2.817 20 0 DFADMP CCCC[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000629552426 399645509 /nfs/dbraw/zinc/64/55/09/399645509.db2.gz JSHTYHPJMLCPOW-MSOLQXFVSA-N 2 1 313.449 2.834 20 0 DFADMP CC(C)C[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccs1 ZINC000629552479 399645799 /nfs/dbraw/zinc/64/57/99/399645799.db2.gz KMVZCBFWGZAHMP-HUUCEWRRSA-N 2 1 319.478 2.751 20 0 DFADMP COc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629569626 399652410 /nfs/dbraw/zinc/65/24/10/399652410.db2.gz YFLZGQLMJORHNO-DZGCQCFKSA-N 2 1 316.367 2.697 20 0 DFADMP COCc1cccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564661 399652499 /nfs/dbraw/zinc/65/24/99/399652499.db2.gz TYBOZFMXYCCCRO-HUUCEWRRSA-N 2 1 316.367 2.792 20 0 DFADMP COCc1cccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629564661 399652500 /nfs/dbraw/zinc/65/25/00/399652500.db2.gz TYBOZFMXYCCCRO-HUUCEWRRSA-N 2 1 316.367 2.792 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(F)c(C(F)(F)F)c1 ZINC000629654963 399677976 /nfs/dbraw/zinc/67/79/76/399677976.db2.gz UWJJOJIMBWPJIA-UHFFFAOYSA-N 2 1 308.319 2.512 20 0 DFADMP Cc1noc([C@H](C)N2CC[C@@H](CNc3cccc(C)n3)C2)n1 ZINC000624484669 399686518 /nfs/dbraw/zinc/68/65/18/399686518.db2.gz RXZYPBQMWRBHNU-JSGCOSHPSA-N 2 1 301.394 2.576 20 0 DFADMP C[NH2+]Cc1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1 ZINC000629735290 399707829 /nfs/dbraw/zinc/70/78/29/399707829.db2.gz PVQSHLRVLVFJNF-UHFFFAOYSA-N 2 1 309.457 2.820 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CCCO4)[C@@H]3C2)cc1 ZINC000294977704 224353692 /nfs/dbraw/zinc/35/36/92/224353692.db2.gz GGWHNGPRXSXWRJ-WJFTUGDTSA-N 2 1 300.446 2.666 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)s1 ZINC000090417517 542536500 /nfs/dbraw/zinc/53/65/00/542536500.db2.gz WIIGIZUANSEQGQ-GXTWGEPZSA-N 2 1 309.479 2.603 20 0 DFADMP CO[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000091772893 542541632 /nfs/dbraw/zinc/54/16/32/542541632.db2.gz NLMHLAQCCOCQGO-LJQANCHMSA-N 2 1 318.461 2.772 20 0 DFADMP CC(C)CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091964153 542543882 /nfs/dbraw/zinc/54/38/82/542543882.db2.gz AURUXRBCJZGLKE-LJQANCHMSA-N 2 1 320.477 2.874 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000295037635 224394022 /nfs/dbraw/zinc/39/40/22/224394022.db2.gz NQHNBKRBLATAGM-RTBURBONSA-N 2 1 302.462 2.662 20 0 DFADMP CCC1(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000617507503 399720125 /nfs/dbraw/zinc/72/01/25/399720125.db2.gz ZFOJIIOOCONDGG-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP CCC1(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CCCCC1 ZINC000617507503 399720130 /nfs/dbraw/zinc/72/01/30/399720130.db2.gz ZFOJIIOOCONDGG-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507482 399720553 /nfs/dbraw/zinc/72/05/53/399720553.db2.gz YNZFEWHLHHCDII-GVDBMIGSSA-N 2 1 311.514 2.591 20 0 DFADMP CC[C@@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507482 399720556 /nfs/dbraw/zinc/72/05/56/399720556.db2.gz YNZFEWHLHHCDII-GVDBMIGSSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000617505566 399720997 /nfs/dbraw/zinc/72/09/97/399720997.db2.gz IKTHDHZHPURHLI-CGTJXYLNSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1C[C@@H]1C1CCCCC1 ZINC000617505566 399720999 /nfs/dbraw/zinc/72/09/99/399720999.db2.gz IKTHDHZHPURHLI-CGTJXYLNSA-N 2 1 323.525 2.591 20 0 DFADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000348113622 285357490 /nfs/dbraw/zinc/35/74/90/285357490.db2.gz RWQWMAWNKOWXFD-ZNMIVQPWSA-N 2 1 320.399 2.950 20 0 DFADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000348113622 285357496 /nfs/dbraw/zinc/35/74/96/285357496.db2.gz RWQWMAWNKOWXFD-ZNMIVQPWSA-N 2 1 320.399 2.950 20 0 DFADMP CCC[N@H+](CCC(C)=O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121585997 195311554 /nfs/dbraw/zinc/31/15/54/195311554.db2.gz DJSUABGPGVBAOM-UHFFFAOYSA-N 2 1 318.465 2.753 20 0 DFADMP CCC[N@@H+](CCC(C)=O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000121585997 195311556 /nfs/dbraw/zinc/31/15/56/195311556.db2.gz DJSUABGPGVBAOM-UHFFFAOYSA-N 2 1 318.465 2.753 20 0 DFADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000121136194 195298645 /nfs/dbraw/zinc/29/86/45/195298645.db2.gz HOMFADLYCJBASZ-QGZVFWFLSA-N 2 1 304.478 2.828 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc32)CC1 ZINC000124321096 195628315 /nfs/dbraw/zinc/62/83/15/195628315.db2.gz ILBXOMSLUZCUCO-LJQANCHMSA-N 2 1 319.468 2.676 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)[C@H](C)C1 ZINC000188908618 285376690 /nfs/dbraw/zinc/37/66/90/285376690.db2.gz YORGDJFQHGSRJE-HNBVOPMISA-N 2 1 318.505 2.936 20 0 DFADMP Cc1cnc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000348140403 285377712 /nfs/dbraw/zinc/37/77/12/285377712.db2.gz KCGICKLOCVCOBF-IEBWSBKVSA-N 2 1 324.472 2.828 20 0 DFADMP CC[N@@H+](CCCN1CCCC1=O)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062009 399741240 /nfs/dbraw/zinc/74/12/40/399741240.db2.gz CNDAONJSOAQLCB-UHFFFAOYSA-N 2 1 317.477 2.583 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)COC(C)(C)C ZINC000626062371 399741447 /nfs/dbraw/zinc/74/14/47/399741447.db2.gz PZJWUNYWESNEIG-SFHVURJKSA-N 2 1 322.493 2.746 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000295036147 533272860 /nfs/dbraw/zinc/27/28/60/533272860.db2.gz OGDCRHPWHFITKG-CSNJMZFVSA-N 2 1 300.446 2.767 20 0 DFADMP COc1ccc2oc(C[N@@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000292879062 533355027 /nfs/dbraw/zinc/35/50/27/533355027.db2.gz XKBVJSWHLMEEKR-SFHVURJKSA-N 2 1 300.402 2.969 20 0 DFADMP COc1ccc2oc(C[N@H+]3CC[C@]4(CC[NH+](C)C4)C3)cc2c1 ZINC000292879062 533355034 /nfs/dbraw/zinc/35/50/34/533355034.db2.gz XKBVJSWHLMEEKR-SFHVURJKSA-N 2 1 300.402 2.969 20 0 DFADMP COc1ccc2oc(C[NH+]3CC[C@]4(CC[N@H+](C)C4)C3)cc2c1 ZINC000292879062 533355037 /nfs/dbraw/zinc/35/50/37/533355037.db2.gz XKBVJSWHLMEEKR-SFHVURJKSA-N 2 1 300.402 2.969 20 0 DFADMP COc1ccc2oc(C[NH+]3CC[C@]4(CC[N@@H+](C)C4)C3)cc2c1 ZINC000292879062 533355043 /nfs/dbraw/zinc/35/50/43/533355043.db2.gz XKBVJSWHLMEEKR-SFHVURJKSA-N 2 1 300.402 2.969 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000295037631 533375394 /nfs/dbraw/zinc/37/53/94/533375394.db2.gz NQHNBKRBLATAGM-OALUTQOASA-N 2 1 302.462 2.662 20 0 DFADMP COc1ccc(CC[NH2+]C2CC[NH+](C)CC2)c(Cl)c1OC ZINC000293107230 533496927 /nfs/dbraw/zinc/49/69/27/533496927.db2.gz YGSRNIMACSKMHV-UHFFFAOYSA-N 2 1 312.841 2.584 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000122815267 542590302 /nfs/dbraw/zinc/59/03/02/542590302.db2.gz ZADHTGXEPUNBBW-QGZVFWFLSA-N 3 1 315.505 2.755 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC[NH+](C)CC1 ZINC000122815267 542590307 /nfs/dbraw/zinc/59/03/07/542590307.db2.gz ZADHTGXEPUNBBW-QGZVFWFLSA-N 3 1 315.505 2.755 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@H](c2ccc(F)cc2)N(C)C)CC1 ZINC000124753691 542598877 /nfs/dbraw/zinc/59/88/77/542598877.db2.gz DHESXUWMZDCPJQ-GOSISDBHSA-N 2 1 307.457 2.892 20 0 DFADMP Cc1cc(Cl)ccc1C[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000129454625 542623971 /nfs/dbraw/zinc/62/39/71/542623971.db2.gz QYXGTEOXSYDFEO-UHFFFAOYSA-N 2 1 309.885 2.766 20 0 DFADMP C[C@H](C[N@@H+](CCO)C1CCN(C)CC1)c1cccc(Cl)c1 ZINC000275757117 130379412 /nfs/dbraw/zinc/37/94/12/130379412.db2.gz UCIVVWDXEBOVIH-CQSZACIVSA-N 2 1 310.869 2.832 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[NH+](C)C)cc1Cn1cccn1 ZINC000151949714 542671323 /nfs/dbraw/zinc/67/13/23/542671323.db2.gz ICNKNUDHUCVJDA-HNNXBMFYSA-N 2 1 316.449 2.542 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966132 131307706 /nfs/dbraw/zinc/30/77/06/131307706.db2.gz ZANBMHKFIZKPRK-SJLPKXTDSA-N 2 1 324.896 2.907 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966132 131307708 /nfs/dbraw/zinc/30/77/08/131307708.db2.gz ZANBMHKFIZKPRK-SJLPKXTDSA-N 2 1 324.896 2.907 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966132 131307709 /nfs/dbraw/zinc/30/77/09/131307709.db2.gz ZANBMHKFIZKPRK-SJLPKXTDSA-N 2 1 324.896 2.907 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC(F)F ZINC000156219542 542699940 /nfs/dbraw/zinc/69/99/40/542699940.db2.gz JYKKLZIYAHYZQQ-PWSUYJOCSA-N 2 1 300.349 2.608 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)ccc1OC(F)F ZINC000156219542 542699944 /nfs/dbraw/zinc/69/99/44/542699944.db2.gz JYKKLZIYAHYZQQ-PWSUYJOCSA-N 2 1 300.349 2.608 20 0 DFADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1([NH+]2CCSCC2)CCCC1 ZINC000166142001 542749635 /nfs/dbraw/zinc/74/96/35/542749635.db2.gz VAOXKUCJLTZXDL-IAGOWNOFSA-N 2 1 323.550 2.564 20 0 DFADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000166142001 542749637 /nfs/dbraw/zinc/74/96/37/542749637.db2.gz VAOXKUCJLTZXDL-IAGOWNOFSA-N 2 1 323.550 2.564 20 0 DFADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000166142001 542749640 /nfs/dbraw/zinc/74/96/40/542749640.db2.gz VAOXKUCJLTZXDL-IAGOWNOFSA-N 2 1 323.550 2.564 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166053122 542749885 /nfs/dbraw/zinc/74/98/85/542749885.db2.gz UAGJJHKTLKLIOO-QZTJIDSGSA-N 2 1 315.461 2.998 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166030752 542750478 /nfs/dbraw/zinc/75/04/78/542750478.db2.gz IYLJLOUOCIRATF-WOJBJXKFSA-N 3 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166030752 542750483 /nfs/dbraw/zinc/75/04/83/542750483.db2.gz IYLJLOUOCIRATF-WOJBJXKFSA-N 2 1 313.489 2.999 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166030752 542750488 /nfs/dbraw/zinc/75/04/88/542750488.db2.gz IYLJLOUOCIRATF-WOJBJXKFSA-N 2 1 313.489 2.999 20 0 DFADMP c1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CCOCC2)cc1 ZINC000166140975 542750555 /nfs/dbraw/zinc/75/05/55/542750555.db2.gz OLPATJPZOGZTAC-RTBURBONSA-N 2 1 314.473 2.951 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)N1CCc2ccccc2C1 ZINC000166348723 542750859 /nfs/dbraw/zinc/75/08/59/542750859.db2.gz WKAFWRKEDBBEJF-LSTHTHJFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000166348723 542750862 /nfs/dbraw/zinc/75/08/62/542750862.db2.gz WKAFWRKEDBBEJF-LSTHTHJFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+]1CCc2ccccc2C1 ZINC000166348723 542750865 /nfs/dbraw/zinc/75/08/65/542750865.db2.gz WKAFWRKEDBBEJF-LSTHTHJFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@@H+]1CCc2ccccc2C1 ZINC000166348723 542750869 /nfs/dbraw/zinc/75/08/69/542750869.db2.gz WKAFWRKEDBBEJF-LSTHTHJFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+]2CCC[C@@H]2C1)[N@H+]1CCc2ccccc2C1 ZINC000166348723 542750871 /nfs/dbraw/zinc/75/08/71/542750871.db2.gz WKAFWRKEDBBEJF-LSTHTHJFSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166563359 542751981 /nfs/dbraw/zinc/75/19/81/542751981.db2.gz FUVPKSLYIIMZGG-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000166563359 542751993 /nfs/dbraw/zinc/75/19/93/542751993.db2.gz FUVPKSLYIIMZGG-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000166563359 542751997 /nfs/dbraw/zinc/75/19/97/542751997.db2.gz FUVPKSLYIIMZGG-BHIYHBOVSA-N 2 1 301.478 2.723 20 0 DFADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000194862684 542862607 /nfs/dbraw/zinc/86/26/07/542862607.db2.gz KOHLWOHNPWYXLQ-CRAIPNDOSA-N 2 1 318.461 2.509 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCCO3)CC2)cc1 ZINC000236607520 542895268 /nfs/dbraw/zinc/89/52/68/542895268.db2.gz VCIXHGXIHRTWMB-IBGZPJMESA-N 2 1 302.462 2.852 20 0 DFADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000261556788 542951822 /nfs/dbraw/zinc/95/18/22/542951822.db2.gz WIJCUNJWJCMWFT-QFBILLFUSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@@H+]1Cc1ccccc1 ZINC000268862108 542960842 /nfs/dbraw/zinc/96/08/42/542960842.db2.gz DQBAQKQAYTTXHY-IJCBKZNRSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H]2O3)CC[N@H+]1Cc1ccccc1 ZINC000268862108 542960846 /nfs/dbraw/zinc/96/08/46/542960846.db2.gz DQBAQKQAYTTXHY-IJCBKZNRSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ncc[nH]1 ZINC000287663543 543004320 /nfs/dbraw/zinc/00/43/20/543004320.db2.gz VMMJXMIPORMJAX-CQSZACIVSA-N 2 1 314.433 2.734 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCCC1 ZINC000289333054 543007079 /nfs/dbraw/zinc/00/70/79/543007079.db2.gz VWPIAPFMTFFEKP-KBXCAEBGSA-N 2 1 313.445 2.592 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CC[N@H+]1C ZINC000293768074 543020555 /nfs/dbraw/zinc/02/05/55/543020555.db2.gz RWKKAVCTVJFTMK-AAEUAGOBSA-N 2 1 301.356 2.715 20 0 DFADMP Cc1[nH+]ccn1CCCN1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000348755439 285659716 /nfs/dbraw/zinc/65/97/16/285659716.db2.gz HPHIOOAFSZFUKP-KRWDZBQOSA-N 2 1 318.852 2.882 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000309821770 543065645 /nfs/dbraw/zinc/06/56/45/543065645.db2.gz ZSYRYXAWYQNDCP-LJQANCHMSA-N 2 1 302.462 2.915 20 0 DFADMP FC(F)(F)c1cccnc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000328648055 543096459 /nfs/dbraw/zinc/09/64/59/543096459.db2.gz UIWOBWKVVZMKLP-NSHDSACASA-N 2 1 310.323 2.649 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000339266332 543142965 /nfs/dbraw/zinc/14/29/65/543142965.db2.gz YGKBVDNHAUJOKY-OAHLLOKOSA-N 2 1 309.498 2.630 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000339071620 543139773 /nfs/dbraw/zinc/13/97/73/543139773.db2.gz SYLOTTRMFZDQQB-JKIFEVAISA-N 2 1 323.431 2.784 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1c(F)cccc1F ZINC000339071620 543139775 /nfs/dbraw/zinc/13/97/75/543139775.db2.gz SYLOTTRMFZDQQB-JKIFEVAISA-N 2 1 323.431 2.784 20 0 DFADMP CN(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000339070033 543140208 /nfs/dbraw/zinc/14/02/08/543140208.db2.gz VTOXNQPJIUBDRA-HOTGVXAUSA-N 2 1 305.441 2.868 20 0 DFADMP CCCN(CC[NH+]1CCCC1)C(=O)CC[N@H+]1CCCC[C@H]1C ZINC000342204639 543161705 /nfs/dbraw/zinc/16/17/05/543161705.db2.gz HHBLBGTURWFMIY-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP C[C@H](CC[N@H+](C)C[C@H]1CCCCO1)[NH+](C)C[C@H]1CCCCO1 ZINC000348265081 543183963 /nfs/dbraw/zinc/18/39/63/543183963.db2.gz CRXIDGUVPVQLJE-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[N@@H+](C)C[C@H]1CCCCO1)[NH+](C)C[C@H]1CCCCO1 ZINC000348265081 543183964 /nfs/dbraw/zinc/18/39/64/543183964.db2.gz CRXIDGUVPVQLJE-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+](C)C[C@H]1CCCCO1)[N@H+](C)C[C@H]1CCCCO1 ZINC000348265081 543183967 /nfs/dbraw/zinc/18/39/67/543183967.db2.gz CRXIDGUVPVQLJE-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+](C)C[C@H]1CCCCO1)[N@@H+](C)C[C@H]1CCCCO1 ZINC000348265081 543183970 /nfs/dbraw/zinc/18/39/70/543183970.db2.gz CRXIDGUVPVQLJE-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CC2)C1 ZINC000348385284 543184711 /nfs/dbraw/zinc/18/47/11/543184711.db2.gz WAOXBLBNPUPJMZ-QRVBRYPASA-N 2 1 300.446 2.531 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ncc[nH]1 ZINC000353521348 543236526 /nfs/dbraw/zinc/23/65/26/543236526.db2.gz RFPQPXAPGDWKEI-HNNXBMFYSA-N 2 1 314.433 2.735 20 0 DFADMP COC1(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)CCCCC1 ZINC000361544065 292112222 /nfs/dbraw/zinc/11/22/22/292112222.db2.gz RQKUXVVVPOCWID-GVDBMIGSSA-N 2 1 310.482 2.519 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CC2 ZINC000353687563 543238897 /nfs/dbraw/zinc/23/88/97/543238897.db2.gz MCTJIKMSXXBSAX-XMTFNYHQSA-N 2 1 316.493 2.784 20 0 DFADMP C[C@@H](CCNC(=O)C1CCC([NH3+])CC1)[N@@H+](C)Cc1ccccc1 ZINC000379682723 543297435 /nfs/dbraw/zinc/29/74/35/543297435.db2.gz YJLHJGUNSUIYDG-ZLPCBKJTSA-N 2 1 317.477 2.531 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCCC[N@H+]2Cc2ccccc2)C1 ZINC000379629325 543297562 /nfs/dbraw/zinc/29/75/62/543297562.db2.gz OSWMFUCJLZEVBX-GUDVDZBRSA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCCN2Cc2ccccc2)C1 ZINC000379629325 543297563 /nfs/dbraw/zinc/29/75/63/543297563.db2.gz OSWMFUCJLZEVBX-GUDVDZBRSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@H](N[C@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381802330 543298258 /nfs/dbraw/zinc/29/82/58/543298258.db2.gz UOGITISPMPBAHK-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381802330 543298259 /nfs/dbraw/zinc/29/82/59/543298259.db2.gz UOGITISPMPBAHK-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381802330 543298260 /nfs/dbraw/zinc/29/82/60/543298260.db2.gz UOGITISPMPBAHK-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381802330 543298262 /nfs/dbraw/zinc/29/82/62/543298262.db2.gz UOGITISPMPBAHK-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CC[C@H]3CCOC3)C2)cc1 ZINC000400611535 543311627 /nfs/dbraw/zinc/31/16/27/543311627.db2.gz LXOUZURBZBSLGI-RBUKOAKNSA-N 2 1 302.462 2.915 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000400611538 543311682 /nfs/dbraw/zinc/31/16/82/543311682.db2.gz LXOUZURBZBSLGI-RTBURBONSA-N 2 1 302.462 2.915 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000165984322 145233113 /nfs/dbraw/zinc/23/31/13/145233113.db2.gz JIIIQEOSGRVQLS-QRQLOZEOSA-N 2 1 320.477 2.711 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)[C@@H]1CCOC1)c1ccccc1 ZINC000165984322 145233115 /nfs/dbraw/zinc/23/31/15/145233115.db2.gz JIIIQEOSGRVQLS-QRQLOZEOSA-N 2 1 320.477 2.711 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000167463926 145240555 /nfs/dbraw/zinc/24/05/55/145240555.db2.gz UAVYRYWUCMWJMH-BFHYXJOUSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000167463926 145240557 /nfs/dbraw/zinc/24/05/57/145240557.db2.gz UAVYRYWUCMWJMH-BFHYXJOUSA-N 2 1 309.404 2.616 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000414925357 543327945 /nfs/dbraw/zinc/32/79/45/543327945.db2.gz LQMJQAHQFUBNSP-HKUYNNGSSA-N 2 1 319.468 2.692 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630513537 399897062 /nfs/dbraw/zinc/89/70/62/399897062.db2.gz ODQRIVXOKDFMLV-HZPDHXFCSA-N 2 1 309.417 2.679 20 0 DFADMP [NH3+]C[C@H]1CC[C@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000630557609 399902985 /nfs/dbraw/zinc/90/29/85/399902985.db2.gz GLFSLIMJNOPWKJ-CZIWCDLHSA-N 2 1 323.444 2.926 20 0 DFADMP COc1cc(Cl)c(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000631107739 399982177 /nfs/dbraw/zinc/98/21/77/399982177.db2.gz DWDVIYFAVGQLHV-UHFFFAOYSA-N 2 1 310.825 2.709 20 0 DFADMP Cc1cc(CNC(=O)[C@H]2C[N@H+](C)C[C@@H]2c2ccccc2)cc(C)n1 ZINC000627786507 399962245 /nfs/dbraw/zinc/96/22/45/399962245.db2.gz TVYCHPUVVZSQES-MOPGFXCFSA-N 2 1 323.440 2.660 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631042660 399967826 /nfs/dbraw/zinc/96/78/26/399967826.db2.gz KWNGANBLGBALIS-MRXNPFEDSA-N 2 1 318.509 2.901 20 0 DFADMP O=c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)c[nH]1 ZINC000631055710 399970569 /nfs/dbraw/zinc/97/05/69/399970569.db2.gz DZGSPKXVNFYKIE-SFHVURJKSA-N 2 1 311.429 2.789 20 0 DFADMP Cc1ccc([C@H](C)C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000628165772 399994914 /nfs/dbraw/zinc/99/49/14/399994914.db2.gz LSENEHQLMFOKTO-SJORKVTESA-N 2 1 304.478 2.876 20 0 DFADMP Cc1ccc([C@@H](C)C[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000628184020 399997443 /nfs/dbraw/zinc/99/74/43/399997443.db2.gz XFCCYSABRHLENT-ROUUACIJSA-N 2 1 302.462 2.753 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)CC1 ZINC000631192209 399999860 /nfs/dbraw/zinc/99/98/60/399999860.db2.gz JUDZSBQYYIRGIN-VNQPRFMTSA-N 2 1 321.262 2.771 20 0 DFADMP C[C@@]1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCCS1 ZINC000628200150 400000202 /nfs/dbraw/zinc/00/02/02/400000202.db2.gz ZQPXTWFJKYITGP-SFHVURJKSA-N 2 1 320.502 2.894 20 0 DFADMP Cc1ncc(C[NH2+]CC2CC[NH+](Cc3nc(C)c(C)o3)CC2)o1 ZINC000628211967 400001974 /nfs/dbraw/zinc/00/19/74/400001974.db2.gz RHRFQKGGPGCWOT-UHFFFAOYSA-N 2 1 318.421 2.590 20 0 DFADMP Cc1ccc([C@@H](C)C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000628217294 400003570 /nfs/dbraw/zinc/00/35/70/400003570.db2.gz ROTHRRWALQOLBN-HKUYNNGSSA-N 2 1 304.478 2.925 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]C[C@]2(C)CCCS2)CC1 ZINC000628227907 400004214 /nfs/dbraw/zinc/00/42/14/400004214.db2.gz XHBSMLMTSQKLEL-INIZCTEOSA-N 2 1 300.512 2.751 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000628261455 400010223 /nfs/dbraw/zinc/01/02/23/400010223.db2.gz WZSCQUVRZHRHCU-QGZVFWFLSA-N 2 1 303.494 2.714 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631251557 400012853 /nfs/dbraw/zinc/01/28/53/400012853.db2.gz YWSURDGVLROFSY-SQNIBIBYSA-N 2 1 300.446 2.687 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631251557 400012855 /nfs/dbraw/zinc/01/28/55/400012855.db2.gz YWSURDGVLROFSY-SQNIBIBYSA-N 2 1 300.446 2.687 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601750 400057278 /nfs/dbraw/zinc/05/72/78/400057278.db2.gz VKJGFHHWQLKSBM-FJIDUMEYSA-N 2 1 306.494 2.902 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000631665360 400064016 /nfs/dbraw/zinc/06/40/16/400064016.db2.gz WMAPBIMFHDMCLG-KCITZHQASA-N 2 1 302.462 2.769 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CCOC[C@H]1C ZINC000631665362 400064040 /nfs/dbraw/zinc/06/40/40/400064040.db2.gz WMAPBIMFHDMCLG-ZAWLATJESA-N 2 1 302.462 2.769 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)n1 ZINC000631830456 400078249 /nfs/dbraw/zinc/07/82/49/400078249.db2.gz SLQATFVOWWEUQG-HIFRSBDPSA-N 2 1 315.383 2.966 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c(C)n1 ZINC000631830456 400078250 /nfs/dbraw/zinc/07/82/50/400078250.db2.gz SLQATFVOWWEUQG-HIFRSBDPSA-N 2 1 315.383 2.966 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000631841274 400078842 /nfs/dbraw/zinc/07/88/42/400078842.db2.gz IQTUCZHUNKPXEA-DYEKYZERSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@@H](C)[C@@H](C[NH3+])C3)n2)ccc1F ZINC000631841274 400078843 /nfs/dbraw/zinc/07/88/43/400078843.db2.gz IQTUCZHUNKPXEA-DYEKYZERSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]([NH3+])CC(C)C)cc1 ZINC000236720081 146024993 /nfs/dbraw/zinc/02/49/93/146024993.db2.gz KCASECCMZJSIRX-GUYCJALGSA-N 2 1 314.433 2.731 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@@H]([NH3+])c2ccccc2)cn1 ZINC000237648203 146048633 /nfs/dbraw/zinc/04/86/33/146048633.db2.gz GVHWBKHXCGKIEC-MRXNPFEDSA-N 2 1 321.384 2.604 20 0 DFADMP C[C@H]1C[C@@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237638662 146049016 /nfs/dbraw/zinc/04/90/16/146049016.db2.gz MSJCBFGLZRXRNE-RDJZCZTQSA-N 2 1 317.477 2.625 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000245422037 146069516 /nfs/dbraw/zinc/06/95/16/146069516.db2.gz IKNPVGIQDQMLQA-GOEBONIOSA-N 2 1 314.433 2.899 20 0 DFADMP CC[C@@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000245539616 146080425 /nfs/dbraw/zinc/08/04/25/146080425.db2.gz OFVNVQRBECNRAG-CRAIPNDOSA-N 2 1 317.477 2.520 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2COC3(CCCCCC3)O2)[C@@H](C)C1 ZINC000245559489 146084039 /nfs/dbraw/zinc/08/40/39/146084039.db2.gz IEWSMTKMAHNYPT-BBWFWOEESA-N 2 1 310.482 2.772 20 0 DFADMP C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC[C@H]1CCC[N@H+]1C ZINC000245724576 146098417 /nfs/dbraw/zinc/09/84/17/146098417.db2.gz VCGHUGUDXLZQGY-NVAPDCRFSA-N 2 1 308.491 2.901 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000246116837 146121228 /nfs/dbraw/zinc/12/12/28/146121228.db2.gz YDTPKDKEJARDJA-AEFFLSMTSA-N 2 1 322.493 2.916 20 0 DFADMP CC(C)[N@H+]1C[C@H](C)[C@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000246296676 146136447 /nfs/dbraw/zinc/13/64/47/146136447.db2.gz VAUCDQIUWGMREL-WMLDXEAASA-N 2 1 318.465 2.598 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000246298473 146136878 /nfs/dbraw/zinc/13/68/78/146136878.db2.gz CXQYCXXTEUXKST-QFBILLFUSA-N 3 1 316.493 2.618 20 0 DFADMP CCN1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H](C)C1 ZINC000246298473 146136879 /nfs/dbraw/zinc/13/68/79/146136879.db2.gz CXQYCXXTEUXKST-QFBILLFUSA-N 2 1 316.493 2.618 20 0 DFADMP CC[N@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000246666174 146148867 /nfs/dbraw/zinc/14/88/67/146148867.db2.gz DXOCHRMEODQJIK-CVEARBPZSA-N 2 1 304.434 2.633 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H]1COc2ccccc2O1 ZINC000246666174 146148870 /nfs/dbraw/zinc/14/88/70/146148870.db2.gz DXOCHRMEODQJIK-CVEARBPZSA-N 2 1 304.434 2.633 20 0 DFADMP CC[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000246666174 146148872 /nfs/dbraw/zinc/14/88/72/146148872.db2.gz DXOCHRMEODQJIK-CVEARBPZSA-N 2 1 304.434 2.633 20 0 DFADMP CC[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H]1COc2ccccc2O1 ZINC000246666174 146148876 /nfs/dbraw/zinc/14/88/76/146148876.db2.gz DXOCHRMEODQJIK-CVEARBPZSA-N 2 1 304.434 2.633 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000247147318 146163758 /nfs/dbraw/zinc/16/37/58/146163758.db2.gz UAZLHTPUBFAXQS-XJKSGUPXSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1c(F)cccc1F ZINC000247147318 146163762 /nfs/dbraw/zinc/16/37/62/146163762.db2.gz UAZLHTPUBFAXQS-XJKSGUPXSA-N 2 1 321.371 2.668 20 0 DFADMP OCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000248872623 146172600 /nfs/dbraw/zinc/17/26/00/146172600.db2.gz IISFLDCSOAELBR-REPLKXPHSA-N 2 1 314.473 2.934 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000249030975 146183288 /nfs/dbraw/zinc/18/32/88/146183288.db2.gz RAGVKBWUAYLAAI-ICSRJNTNSA-N 2 1 315.505 2.892 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249059350 146185664 /nfs/dbraw/zinc/18/56/64/146185664.db2.gz ZOIBFLBFJRAZJC-WJXKREEZSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000249059350 146185666 /nfs/dbraw/zinc/18/56/66/146185666.db2.gz ZOIBFLBFJRAZJC-WJXKREEZSA-N 2 1 307.526 2.959 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000249392773 146196076 /nfs/dbraw/zinc/19/60/76/146196076.db2.gz AGTOYYZJPPJMLE-QUCCMNQESA-N 2 1 315.505 2.577 20 0 DFADMP C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000249749644 146205926 /nfs/dbraw/zinc/20/59/26/146205926.db2.gz QBPHECZQDSFGSZ-QZWWFDLISA-N 2 1 309.498 2.628 20 0 DFADMP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000250095563 146210533 /nfs/dbraw/zinc/21/05/33/146210533.db2.gz QSOUVRMGXCVXPX-IPMKNSEASA-N 2 1 314.473 2.649 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544199 146238413 /nfs/dbraw/zinc/23/84/13/146238413.db2.gz IOTVUSFFSAVSLR-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544199 146238417 /nfs/dbraw/zinc/23/84/17/146238417.db2.gz IOTVUSFFSAVSLR-MJGOQNOKSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544199 146238420 /nfs/dbraw/zinc/23/84/20/146238420.db2.gz IOTVUSFFSAVSLR-MJGOQNOKSA-N 3 1 315.505 2.971 20 0 DFADMP C[N@H+](C[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261543428 146238608 /nfs/dbraw/zinc/23/86/08/146238608.db2.gz HTIAIRJCSCHKGU-GOSISDBHSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@@H+](C[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261543428 146238610 /nfs/dbraw/zinc/23/86/10/146238610.db2.gz HTIAIRJCSCHKGU-GOSISDBHSA-N 2 1 301.478 2.582 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261546039 146239041 /nfs/dbraw/zinc/23/90/41/146239041.db2.gz KPSBTPMYNTZFPN-ZGXWSNOMSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261546039 146239044 /nfs/dbraw/zinc/23/90/44/146239044.db2.gz KPSBTPMYNTZFPN-ZGXWSNOMSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261546036 146239820 /nfs/dbraw/zinc/23/98/20/146239820.db2.gz KPSBTPMYNTZFPN-LWYYNNOASA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)cc1 ZINC000261546036 146239822 /nfs/dbraw/zinc/23/98/22/146239822.db2.gz KPSBTPMYNTZFPN-LWYYNNOASA-N 2 1 313.489 2.771 20 0 DFADMP N[C@@H]1C[N@@H+](Cc2ccc(-n3cccn3)cc2)C[C@H]1c1ccccc1 ZINC000261610372 146247160 /nfs/dbraw/zinc/24/71/60/146247160.db2.gz BSYVDWXFWYOECR-VQTJNVASSA-N 2 1 318.424 2.799 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000261633799 146250908 /nfs/dbraw/zinc/25/09/08/146250908.db2.gz CEWKDHXFEOEOJK-UHFFFAOYSA-N 2 1 317.477 2.872 20 0 DFADMP C[N@@H+](CCc1ccc(Br)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261705746 146262239 /nfs/dbraw/zinc/26/22/39/146262239.db2.gz DBMWLDZGNFFPAT-HNNXBMFYSA-N 2 1 311.267 2.923 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@@H](C)[NH3+])c1 ZINC000261728367 146266135 /nfs/dbraw/zinc/26/61/35/146266135.db2.gz FRWHKXBITKIKCB-CYBMUJFWSA-N 2 1 300.406 2.731 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000261726791 146266607 /nfs/dbraw/zinc/26/66/07/146266607.db2.gz JSUDXNOKYCYBDV-IBGZPJMESA-N 2 1 311.429 2.831 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000261726791 146266610 /nfs/dbraw/zinc/26/66/10/146266610.db2.gz JSUDXNOKYCYBDV-IBGZPJMESA-N 2 1 311.429 2.831 20 0 DFADMP Nc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)s1 ZINC000261725775 146266748 /nfs/dbraw/zinc/26/67/48/146266748.db2.gz GQIWDDGHTKGFAG-UHFFFAOYSA-N 2 1 317.462 2.638 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745329 146269451 /nfs/dbraw/zinc/26/94/51/146269451.db2.gz KTWDLOZQMGYWFO-IBGZPJMESA-N 2 1 312.461 2.719 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261745329 146269454 /nfs/dbraw/zinc/26/94/54/146269454.db2.gz KTWDLOZQMGYWFO-IBGZPJMESA-N 2 1 312.461 2.719 20 0 DFADMP CCC[N@@H+](Cc1ccc(N(C)C(C)C)nc1)C1CC[NH2+]CC1 ZINC000261764339 146271580 /nfs/dbraw/zinc/27/15/80/146271580.db2.gz DEDCHQWRHBAOOH-UHFFFAOYSA-N 2 1 304.482 2.890 20 0 DFADMP c1cn(-c2ccccc2)nc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000261769528 146273072 /nfs/dbraw/zinc/27/30/72/146273072.db2.gz QPKDFOVYRYKIOS-LJQANCHMSA-N 2 1 310.445 2.836 20 0 DFADMP Clc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261788896 146276253 /nfs/dbraw/zinc/27/62/53/146276253.db2.gz XRANWZYWUNATDQ-TZMCWYRMSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c2ncccc12 ZINC000261788896 146276255 /nfs/dbraw/zinc/27/62/55/146276255.db2.gz XRANWZYWUNATDQ-TZMCWYRMSA-N 2 1 301.821 2.930 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817042 146281422 /nfs/dbraw/zinc/28/14/22/146281422.db2.gz IBDITNVLLNRCGJ-SNRMKQJTSA-N 2 1 310.445 2.565 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)C[C@H]1c1ccccc1 ZINC000261824229 146282618 /nfs/dbraw/zinc/28/26/18/146282618.db2.gz YCSHTBQPGNIRNV-MOPGFXCFSA-N 2 1 308.425 2.796 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)s2)cn1 ZINC000261825352 146283564 /nfs/dbraw/zinc/28/35/64/146283564.db2.gz IRBOFPDDHKSCKN-APHBMKBZSA-N 2 1 316.474 2.708 20 0 DFADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261881827 146295373 /nfs/dbraw/zinc/29/53/73/146295373.db2.gz RCOHASOUYKRSHB-FGTMMUONSA-N 2 1 306.425 2.977 20 0 DFADMP CC[C@@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261892520 146296223 /nfs/dbraw/zinc/29/62/23/146296223.db2.gz UEJLUGIUWXMUPT-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP CCN(C[C@@]1(C)CC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261909158 146300014 /nfs/dbraw/zinc/30/00/14/146300014.db2.gz XTBROZYCHWGAMW-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@]1(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC000261911250 146300130 /nfs/dbraw/zinc/30/01/30/146300130.db2.gz YHFHZLHHOKVALY-LJQANCHMSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@]1(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000261947223 146308473 /nfs/dbraw/zinc/30/84/73/146308473.db2.gz FLZSUNPNGQYHTN-ZWKOTPCHSA-N 2 1 306.425 2.806 20 0 DFADMP C[C@@]1(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000261947223 146308477 /nfs/dbraw/zinc/30/84/77/146308477.db2.gz FLZSUNPNGQYHTN-ZWKOTPCHSA-N 2 1 306.425 2.806 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261952414 146309130 /nfs/dbraw/zinc/30/91/30/146309130.db2.gz WPCFHURKDIEXPB-RYQLBKOJSA-N 2 1 316.445 2.847 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261952414 146309133 /nfs/dbraw/zinc/30/91/33/146309133.db2.gz WPCFHURKDIEXPB-RYQLBKOJSA-N 2 1 316.445 2.847 20 0 DFADMP c1csc(C[N@H+](CC[C@@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261976562 146313826 /nfs/dbraw/zinc/31/38/26/146313826.db2.gz QWHCCWJNPUPOOI-HUUCEWRRSA-N 2 1 321.490 2.514 20 0 DFADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261977003 146313883 /nfs/dbraw/zinc/31/38/83/146313883.db2.gz RGVKRJFIVYPNQD-BBWFWOEESA-N 2 1 320.502 2.964 20 0 DFADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261981483 146315150 /nfs/dbraw/zinc/31/51/50/146315150.db2.gz RSTODPNOGWPULI-NXWXRZEISA-N 2 1 318.461 2.509 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261980482 146315901 /nfs/dbraw/zinc/31/59/01/146315901.db2.gz AJRMRYWQNPDWOL-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261980482 146315903 /nfs/dbraw/zinc/31/59/03/146315903.db2.gz AJRMRYWQNPDWOL-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP Clc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc2c1OCCO2 ZINC000262005260 146321307 /nfs/dbraw/zinc/32/13/07/146321307.db2.gz LRZHSFXMBHJSLX-UHFFFAOYSA-N 2 1 322.836 2.687 20 0 DFADMP Clc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262016405 146321969 /nfs/dbraw/zinc/32/19/69/146321969.db2.gz MRZFVRHMBGVCRY-QGZVFWFLSA-N 2 1 316.836 2.916 20 0 DFADMP Clc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000262016405 146321971 /nfs/dbraw/zinc/32/19/71/146321971.db2.gz MRZFVRHMBGVCRY-QGZVFWFLSA-N 2 1 316.836 2.916 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c1)O[C@H](C)C2 ZINC000262010732 146322358 /nfs/dbraw/zinc/32/23/58/146322358.db2.gz MFAPIACHISODNN-CQSZACIVSA-N 2 1 316.445 2.594 20 0 DFADMP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262014668 146322495 /nfs/dbraw/zinc/32/24/95/146322495.db2.gz VWWINWJTUPAYCQ-BRWVUGGUSA-N 2 1 306.475 2.655 20 0 DFADMP CSc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262014670 146322704 /nfs/dbraw/zinc/32/27/04/146322704.db2.gz VWWINWJTUPAYCQ-ZACQAIPSSA-N 2 1 306.475 2.655 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)Sc1ccccc1 ZINC000262024175 146323817 /nfs/dbraw/zinc/32/38/17/146323817.db2.gz WXAITWKZNYGSOW-DDBAPUKQSA-N 2 1 320.502 2.914 20 0 DFADMP c1csc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000262021513 146323888 /nfs/dbraw/zinc/32/38/88/146323888.db2.gz XPEJRRKKECWXKF-ZDUSSCGKSA-N 2 1 318.446 2.762 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1Cl ZINC000262046178 146327168 /nfs/dbraw/zinc/32/71/68/146327168.db2.gz ZDWWCYHEFZPPJU-IMJJTQAJSA-N 2 1 324.852 2.595 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052673 146327626 /nfs/dbraw/zinc/32/76/26/146327626.db2.gz ZTXLJFSFASGOTE-CVEARBPZSA-N 2 1 312.461 2.955 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC([NH2+]CC3CC3)CC2)c1C ZINC000262063777 146328682 /nfs/dbraw/zinc/32/86/82/146328682.db2.gz FGANOZYSIMPAPX-UHFFFAOYSA-N 2 1 303.450 2.671 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000262092430 146332225 /nfs/dbraw/zinc/33/22/25/146332225.db2.gz HIDJPXMTUDWYOH-ZDUSSCGKSA-N 2 1 320.387 2.711 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262095805 146333489 /nfs/dbraw/zinc/33/34/89/146333489.db2.gz IJFJYBFMGCNGMU-YDHLFZDLSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262095805 146333493 /nfs/dbraw/zinc/33/34/93/146333493.db2.gz IJFJYBFMGCNGMU-YDHLFZDLSA-N 2 1 321.852 2.646 20 0 DFADMP COc1ccc(C[N@@H+](CC2CC2)C[C@@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000262107554 146334281 /nfs/dbraw/zinc/33/42/81/146334281.db2.gz WBYRXUHNSSDYMX-IBGZPJMESA-N 2 1 318.461 2.915 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+] ZINC000262352479 146353746 /nfs/dbraw/zinc/35/37/46/146353746.db2.gz UPGBRXWQKPEXNW-MTCSXPRVSA-N 2 1 321.509 2.521 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC(F)F ZINC000262420264 146357906 /nfs/dbraw/zinc/35/79/06/146357906.db2.gz DYVAVFSOMFMWJD-AAEUAGOBSA-N 2 1 314.376 2.713 20 0 DFADMP C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000262437176 146360142 /nfs/dbraw/zinc/36/01/42/146360142.db2.gz ULSUREPAFGNAGS-GPNCCUPLSA-N 2 1 321.509 2.519 20 0 DFADMP CCC[N@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000262585226 146375146 /nfs/dbraw/zinc/37/51/46/146375146.db2.gz ZPOJEJHRFMIONS-HOTGVXAUSA-N 2 1 303.450 2.725 20 0 DFADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000262585226 146375150 /nfs/dbraw/zinc/37/51/50/146375150.db2.gz ZPOJEJHRFMIONS-HOTGVXAUSA-N 2 1 303.450 2.725 20 0 DFADMP O[C@@H]1C[NH2+]C[C@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000263119637 146421843 /nfs/dbraw/zinc/42/18/43/146421843.db2.gz AUBNEQIMGXGKNK-CRAIPNDOSA-N 2 1 314.454 2.508 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CCN(CCOC2CCCCCC2)CC1 ZINC000354387268 147017638 /nfs/dbraw/zinc/01/76/38/147017638.db2.gz KARQFXMPJMXTNC-INIZCTEOSA-N 2 1 312.498 2.503 20 0 DFADMP CC[C@H]1C[C@@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CCO1 ZINC000354509583 147062248 /nfs/dbraw/zinc/06/22/48/147062248.db2.gz YCWAAGYZGDZUKX-FSGLHJGXSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@H]1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCO1 ZINC000354509583 147062250 /nfs/dbraw/zinc/06/22/50/147062250.db2.gz YCWAAGYZGDZUKX-FSGLHJGXSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@H]1C[C@@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000354509583 147062253 /nfs/dbraw/zinc/06/22/53/147062253.db2.gz YCWAAGYZGDZUKX-FSGLHJGXSA-N 2 1 324.509 2.765 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)[C@@H]1C ZINC000354571494 147083325 /nfs/dbraw/zinc/08/33/25/147083325.db2.gz QBZLKGWBBBWEHK-TWMKSMIVSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)[C@@H]1C ZINC000354571494 147083328 /nfs/dbraw/zinc/08/33/28/147083328.db2.gz QBZLKGWBBBWEHK-TWMKSMIVSA-N 2 1 310.482 2.674 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000354873979 147186796 /nfs/dbraw/zinc/18/67/96/147186796.db2.gz FTNKUACHBNMNBX-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000354873979 147186798 /nfs/dbraw/zinc/18/67/98/147186798.db2.gz FTNKUACHBNMNBX-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000354873979 147186801 /nfs/dbraw/zinc/18/68/01/147186801.db2.gz FTNKUACHBNMNBX-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000354928574 147198273 /nfs/dbraw/zinc/19/82/73/147198273.db2.gz GLBXEKYLVWGJED-WCXIOVBPSA-N 2 1 309.498 2.628 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@](C)(F)C2)CC1 ZINC000355372046 147288832 /nfs/dbraw/zinc/28/88/32/147288832.db2.gz XRGPBVNRXYFHTC-SFHVURJKSA-N 2 1 305.441 2.762 20 0 DFADMP CSc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000569123742 543448497 /nfs/dbraw/zinc/44/84/97/543448497.db2.gz WMJKMQAFIZRCQS-QGZVFWFLSA-N 2 1 306.475 2.863 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CC[NH+](C)C)[C@@H]1Oc1ccccc1 ZINC000357460574 148001142 /nfs/dbraw/zinc/00/11/42/148001142.db2.gz QYMRODGCCSKCJM-SPUZQDLCSA-N 2 1 306.450 2.541 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C ZINC000357629166 148063732 /nfs/dbraw/zinc/06/37/32/148063732.db2.gz DLHCAKAKZWVCEQ-HZPDHXFCSA-N 2 1 311.514 2.780 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000357742665 148103864 /nfs/dbraw/zinc/10/38/64/148103864.db2.gz RVQWGYOSTMSQRE-AWEZNQCLSA-N 2 1 321.490 2.621 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000357774123 148115614 /nfs/dbraw/zinc/11/56/14/148115614.db2.gz JLSWRJZZZIGDJW-CYBMUJFWSA-N 2 1 302.426 2.503 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000357774123 148115618 /nfs/dbraw/zinc/11/56/18/148115618.db2.gz JLSWRJZZZIGDJW-CYBMUJFWSA-N 2 1 302.426 2.503 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000623563634 543484930 /nfs/dbraw/zinc/48/49/30/543484930.db2.gz FFKFCFCJEDZTPX-WBCYEJBOSA-N 2 1 314.473 2.777 20 0 DFADMP CC(C)(C)CNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637910804 543495238 /nfs/dbraw/zinc/49/52/38/543495238.db2.gz VHPFLXVGOKTGRW-UHFFFAOYSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC000358193440 148280308 /nfs/dbraw/zinc/28/03/08/148280308.db2.gz YLYZLFMNWUXMJX-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000358193440 148280313 /nfs/dbraw/zinc/28/03/13/148280313.db2.gz YLYZLFMNWUXMJX-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000358193440 148280320 /nfs/dbraw/zinc/28/03/20/148280320.db2.gz YLYZLFMNWUXMJX-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358253914 148305797 /nfs/dbraw/zinc/30/57/97/148305797.db2.gz PHARZMGGNYVNOD-SPSMMKBTSA-N 2 1 306.494 2.638 20 0 DFADMP C[C@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358253914 148305801 /nfs/dbraw/zinc/30/58/01/148305801.db2.gz PHARZMGGNYVNOD-SPSMMKBTSA-N 2 1 306.494 2.638 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000358264195 148310476 /nfs/dbraw/zinc/31/04/76/148310476.db2.gz YOTFXZQPJDTREC-ZWKOTPCHSA-N 2 1 302.418 2.786 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000358264195 148310479 /nfs/dbraw/zinc/31/04/79/148310479.db2.gz YOTFXZQPJDTREC-ZWKOTPCHSA-N 2 1 302.418 2.786 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1C ZINC000358521712 148382362 /nfs/dbraw/zinc/38/23/62/148382362.db2.gz YOQDHTMCHANGLI-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@H](CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[NH+](C)C ZINC000358560543 148386531 /nfs/dbraw/zinc/38/65/31/148386531.db2.gz FCVBSTKSTZQPRH-BTHPGYMESA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000358560543 148386533 /nfs/dbraw/zinc/38/65/33/148386533.db2.gz FCVBSTKSTZQPRH-BTHPGYMESA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)N(C)C ZINC000358560543 148386535 /nfs/dbraw/zinc/38/65/35/148386535.db2.gz FCVBSTKSTZQPRH-BTHPGYMESA-N 2 1 315.505 2.827 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2cccc(C)n2)CC1 ZINC000361038170 149015403 /nfs/dbraw/zinc/01/54/03/149015403.db2.gz YTGCIFFSMKSOEQ-UHFFFAOYSA-N 2 1 314.433 2.828 20 0 DFADMP CN(CC[N@@H+](C)CCCc1ccsc1)C1CC[NH+](C)CC1 ZINC000361086917 149025701 /nfs/dbraw/zinc/02/57/01/149025701.db2.gz PVSSCDPJVBVJQX-UHFFFAOYSA-N 2 1 309.523 2.639 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665917 543529927 /nfs/dbraw/zinc/52/99/27/543529927.db2.gz ZFEYWPDGCBEDDW-RBUKOAKNSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665917 543529928 /nfs/dbraw/zinc/52/99/28/543529928.db2.gz ZFEYWPDGCBEDDW-RBUKOAKNSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665917 543529930 /nfs/dbraw/zinc/52/99/30/543529930.db2.gz ZFEYWPDGCBEDDW-RBUKOAKNSA-N 2 1 302.462 2.662 20 0 DFADMP Cc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c1C ZINC000361176947 149047696 /nfs/dbraw/zinc/04/76/96/149047696.db2.gz YPBQXSLXENUYJA-IAGOWNOFSA-N 2 1 317.477 2.541 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)s1 ZINC000361345600 149091852 /nfs/dbraw/zinc/09/18/52/149091852.db2.gz JRSUBZSCKJKVDL-AWEZNQCLSA-N 2 1 323.506 2.650 20 0 DFADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000361353827 149094448 /nfs/dbraw/zinc/09/44/48/149094448.db2.gz VDRPDAHJOFEBCZ-LJHODMEESA-N 2 1 320.452 2.886 20 0 DFADMP Cc1ccsc1[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361354207 149094687 /nfs/dbraw/zinc/09/46/87/149094687.db2.gz DSKQBQLADUPBOZ-AWEZNQCLSA-N 2 1 323.506 2.650 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)[C@H](C)C1 ZINC000361398623 149105788 /nfs/dbraw/zinc/10/57/88/149105788.db2.gz ABJBKYGPCFBIJD-OWSLCNJRSA-N 2 1 314.514 2.510 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361460591 149121610 /nfs/dbraw/zinc/12/16/10/149121610.db2.gz ZWTNJIYPFSFPEV-BSWMADRKSA-N 2 1 302.462 2.956 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361460591 149121612 /nfs/dbraw/zinc/12/16/12/149121612.db2.gz ZWTNJIYPFSFPEV-BSWMADRKSA-N 2 1 302.462 2.956 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)C[C@@H]3C)C2)c1 ZINC000361507337 149133870 /nfs/dbraw/zinc/13/38/70/149133870.db2.gz DOHBTVCYGXGPRG-BXWFABGCSA-N 2 1 317.477 2.594 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000361507337 149133872 /nfs/dbraw/zinc/13/38/72/149133872.db2.gz DOHBTVCYGXGPRG-BXWFABGCSA-N 2 1 317.477 2.594 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596587 149162193 /nfs/dbraw/zinc/16/21/93/149162193.db2.gz UCLPKOITFKYKCG-WOJBJXKFSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596587 149162197 /nfs/dbraw/zinc/16/21/97/149162197.db2.gz UCLPKOITFKYKCG-WOJBJXKFSA-N 2 1 316.489 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000361596587 149162198 /nfs/dbraw/zinc/16/21/98/149162198.db2.gz UCLPKOITFKYKCG-WOJBJXKFSA-N 2 1 316.489 2.788 20 0 DFADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361668479 149187901 /nfs/dbraw/zinc/18/79/01/149187901.db2.gz ZSVXGZAMIIKEMP-HZPDHXFCSA-N 2 1 320.481 2.776 20 0 DFADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361668479 149187903 /nfs/dbraw/zinc/18/79/03/149187903.db2.gz ZSVXGZAMIIKEMP-HZPDHXFCSA-N 2 1 320.481 2.776 20 0 DFADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685817 149192044 /nfs/dbraw/zinc/19/20/44/149192044.db2.gz GPPQGRJBRPAVDX-RBUKOAKNSA-N 2 1 314.473 2.888 20 0 DFADMP OC1(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685817 149192049 /nfs/dbraw/zinc/19/20/49/149192049.db2.gz GPPQGRJBRPAVDX-RBUKOAKNSA-N 2 1 314.473 2.888 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]2(F)CC[NH2+]C2)cc1 ZINC000361719443 149200198 /nfs/dbraw/zinc/20/01/98/149200198.db2.gz SYNLSYIDGTVYJV-KDOFPFPSSA-N 2 1 319.424 2.701 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)C2([NH3+])CCCC2)[C@H]1c1cccs1 ZINC000361717085 149201002 /nfs/dbraw/zinc/20/10/02/149201002.db2.gz APHFMKODIRFGNK-ZFWWWQNUSA-N 2 1 321.490 2.519 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361942483 149262714 /nfs/dbraw/zinc/26/27/14/149262714.db2.gz WJSIHXUUCDQNDD-JKSUJKDBSA-N 2 1 320.481 2.728 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361942483 149262715 /nfs/dbraw/zinc/26/27/15/149262715.db2.gz WJSIHXUUCDQNDD-JKSUJKDBSA-N 2 1 320.481 2.728 20 0 DFADMP CCC[C@@H](C(=O)N1CCC[C@@H]1Cn1cc[nH+]c1C(C)C)[NH+](C)C ZINC000362008972 149274774 /nfs/dbraw/zinc/27/47/74/149274774.db2.gz IVTIQFGOLURLJB-CVEARBPZSA-N 2 1 320.481 2.728 20 0 DFADMP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000362563541 149309194 /nfs/dbraw/zinc/30/91/94/149309194.db2.gz AAWGOWOADISEQY-JKSUJKDBSA-N 2 1 317.477 2.741 20 0 DFADMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cc1 ZINC000362637916 149329711 /nfs/dbraw/zinc/32/97/11/149329711.db2.gz GKSDCLQPRUWDED-QGZVFWFLSA-N 2 1 301.478 2.595 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350951514 286101523 /nfs/dbraw/zinc/10/15/23/286101523.db2.gz PFBKXQOEVXOLGW-UHFFFAOYSA-N 2 1 303.450 2.516 20 0 DFADMP Cc1cc[nH+]c(N(C)C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000362667079 149338121 /nfs/dbraw/zinc/33/81/21/149338121.db2.gz QYVWOEYRGKQQKS-CRAIPNDOSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cc[nH+]c(N(C)C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)c1 ZINC000362667079 149338125 /nfs/dbraw/zinc/33/81/25/149338125.db2.gz QYVWOEYRGKQQKS-CRAIPNDOSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CCC([NH+]3CCCC3)CC2)c1 ZINC000362852321 149381192 /nfs/dbraw/zinc/38/11/92/149381192.db2.gz QHPPRNBSJSXPLA-UHFFFAOYSA-N 2 1 304.482 2.922 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@H]5[C@@H]4C3)cc2)cn1 ZINC000362925520 149399616 /nfs/dbraw/zinc/39/96/16/149399616.db2.gz JVCDUAZNIZOUJG-RLLQIKCJSA-N 2 1 322.456 2.788 20 0 DFADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@H]5[C@@H]4C3)cc2)cn1 ZINC000362925520 149399617 /nfs/dbraw/zinc/39/96/17/149399617.db2.gz JVCDUAZNIZOUJG-RLLQIKCJSA-N 2 1 322.456 2.788 20 0 DFADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)cc2)cn1 ZINC000362925520 149399618 /nfs/dbraw/zinc/39/96/18/149399618.db2.gz JVCDUAZNIZOUJG-RLLQIKCJSA-N 2 1 322.456 2.788 20 0 DFADMP Cn1nccc1-c1ccccc1C[N@@H+](C)CC1CC[NH+](C)CC1 ZINC000351403169 286124936 /nfs/dbraw/zinc/12/49/36/286124936.db2.gz XWROPZKHGUVNEZ-UHFFFAOYSA-N 2 1 312.461 2.861 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]12 ZINC000351473213 286128936 /nfs/dbraw/zinc/12/89/36/286128936.db2.gz CNWFLZYINKQFOO-OSAQELSMSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@H]12 ZINC000351473213 286128938 /nfs/dbraw/zinc/12/89/38/286128938.db2.gz CNWFLZYINKQFOO-OSAQELSMSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCC(F)(F)F)C[C@H]12 ZINC000351475501 286129322 /nfs/dbraw/zinc/12/93/22/286129322.db2.gz IMTRRZKGHNROAB-FPMFFAJLSA-N 2 1 314.351 2.797 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351476939 286129739 /nfs/dbraw/zinc/12/97/39/286129739.db2.gz MJSBOBQBPXSOMZ-KSZLIROESA-N 2 1 323.525 2.576 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351476939 286129742 /nfs/dbraw/zinc/12/97/42/286129742.db2.gz MJSBOBQBPXSOMZ-KSZLIROESA-N 2 1 323.525 2.576 20 0 DFADMP Cc1ccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)cc1C ZINC000351481288 286131517 /nfs/dbraw/zinc/13/15/17/286131517.db2.gz XAVMEHGROHHNDV-RBUKOAKNSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)cc1C ZINC000351481288 286131518 /nfs/dbraw/zinc/13/15/18/286131518.db2.gz XAVMEHGROHHNDV-RBUKOAKNSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1C ZINC000351481288 286131519 /nfs/dbraw/zinc/13/15/19/286131519.db2.gz XAVMEHGROHHNDV-RBUKOAKNSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1C ZINC000351481288 286131520 /nfs/dbraw/zinc/13/15/20/286131520.db2.gz XAVMEHGROHHNDV-RBUKOAKNSA-N 2 1 302.462 2.895 20 0 DFADMP CN(C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1Cl)C1CC1 ZINC000351443235 286126407 /nfs/dbraw/zinc/12/64/07/286126407.db2.gz LYLZRVHTEFGPIJ-IAGOWNOFSA-N 2 1 322.880 2.802 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000351490606 286134065 /nfs/dbraw/zinc/13/40/65/286134065.db2.gz IMDWKDGYRYPHJF-NXOAAHMSSA-N 2 1 315.461 2.608 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000351490606 286134066 /nfs/dbraw/zinc/13/40/66/286134066.db2.gz IMDWKDGYRYPHJF-NXOAAHMSSA-N 2 1 315.461 2.608 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@H]12 ZINC000351495933 286135733 /nfs/dbraw/zinc/13/57/33/286135733.db2.gz QDWILTGATYCTRV-VBNZEHGJSA-N 2 1 301.365 2.650 20 0 DFADMP Cc1nccn1CCC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000371196482 150001314 /nfs/dbraw/zinc/00/13/14/150001314.db2.gz DVUXSRWPNXAPMS-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCCn2cc[nH+]c2C)n1 ZINC000371204913 150001816 /nfs/dbraw/zinc/00/18/16/150001816.db2.gz LHRQTYCOOOMRIV-SFHVURJKSA-N 2 1 315.465 2.950 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCCn2cc[nH+]c2C)n1 ZINC000371204913 150001819 /nfs/dbraw/zinc/00/18/19/150001819.db2.gz LHRQTYCOOOMRIV-SFHVURJKSA-N 2 1 315.465 2.950 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC[C@@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322052 150023096 /nfs/dbraw/zinc/02/30/96/150023096.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 1 305.510 2.667 20 0 DFADMP C[NH+](C[C@@H]1CC12CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2)C1CC1 ZINC000371322052 150023099 /nfs/dbraw/zinc/02/30/99/150023099.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 1 305.510 2.667 20 0 DFADMP C[NH+](C[C@@H]1CC12CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC2)C1CC1 ZINC000371322052 150023102 /nfs/dbraw/zinc/02/31/02/150023102.db2.gz VOKNMIMVMTUVSE-IRXDYDNUSA-N 2 1 305.510 2.667 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329036 150024474 /nfs/dbraw/zinc/02/44/74/150024474.db2.gz CDMLBLJFAKBCBO-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329036 150024476 /nfs/dbraw/zinc/02/44/76/150024476.db2.gz CDMLBLJFAKBCBO-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329036 150024478 /nfs/dbraw/zinc/02/44/78/150024478.db2.gz CDMLBLJFAKBCBO-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(C(=O)CC2CCCC2)CC1 ZINC000371329036 150024481 /nfs/dbraw/zinc/02/44/81/150024481.db2.gz CDMLBLJFAKBCBO-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000371338143 150027528 /nfs/dbraw/zinc/02/75/28/150027528.db2.gz YWLDIYUBVYQEKH-INIZCTEOSA-N 2 1 307.507 2.657 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CCC(c3nc(C)no3)CC2)[C@H](C)C1 ZINC000371446229 150047576 /nfs/dbraw/zinc/04/75/76/150047576.db2.gz CBFORYHLJWZCFL-KKOFPSKJSA-N 2 1 306.454 2.724 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371466157 150051538 /nfs/dbraw/zinc/05/15/38/150051538.db2.gz LTSOZFDZDVQROH-QXAKKESOSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371466157 150051541 /nfs/dbraw/zinc/05/15/41/150051541.db2.gz LTSOZFDZDVQROH-QXAKKESOSA-N 2 1 318.461 2.769 20 0 DFADMP CC[NH+]1CCC([NH2+]C2CCN(c3cccc(OC)c3)CC2)CC1 ZINC000371977924 150120899 /nfs/dbraw/zinc/12/08/99/150120899.db2.gz HTRULKNUPRUXLH-UHFFFAOYSA-N 2 1 317.477 2.738 20 0 DFADMP COCc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000372170043 150143976 /nfs/dbraw/zinc/14/39/76/150143976.db2.gz NWYIZSXAIQIXHC-QRVBRYPASA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000372170043 150143979 /nfs/dbraw/zinc/14/39/79/150143979.db2.gz NWYIZSXAIQIXHC-QRVBRYPASA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000372170043 150143981 /nfs/dbraw/zinc/14/39/81/150143981.db2.gz NWYIZSXAIQIXHC-QRVBRYPASA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000372170043 150143984 /nfs/dbraw/zinc/14/39/84/150143984.db2.gz NWYIZSXAIQIXHC-QRVBRYPASA-N 2 1 300.446 2.749 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccccc2F)CC1 ZINC000372427586 150171810 /nfs/dbraw/zinc/17/18/10/150171810.db2.gz HDXUYSSJGHHLPL-SFHVURJKSA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1CCC[N@H+](Cc2ccccc2F)CC1 ZINC000372427586 150171814 /nfs/dbraw/zinc/17/18/14/150171814.db2.gz HDXUYSSJGHHLPL-SFHVURJKSA-N 2 1 319.468 2.818 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1CCC[N@@H+](Cc2ccccc2F)CC1 ZINC000372427586 150171815 /nfs/dbraw/zinc/17/18/15/150171815.db2.gz HDXUYSSJGHHLPL-SFHVURJKSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(Cc2ccccc2F)CC1 ZINC000372427586 150171818 /nfs/dbraw/zinc/17/18/18/150171818.db2.gz HDXUYSSJGHHLPL-SFHVURJKSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(Cc2ccccc2F)CC1 ZINC000372427586 150171821 /nfs/dbraw/zinc/17/18/21/150171821.db2.gz HDXUYSSJGHHLPL-SFHVURJKSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+](C[C@H]1CC12CCN(c1[nH+]cnc3[nH]ccc31)CC2)C1CC1 ZINC000372424625 150171861 /nfs/dbraw/zinc/17/18/61/150171861.db2.gz GONGMFJSVDLALM-CYBMUJFWSA-N 2 1 311.433 2.659 20 0 DFADMP C[N@@H+](C[C@H]1CC12CCN(c1[nH+]cnc3[nH]ccc31)CC2)C1CC1 ZINC000372424625 150171862 /nfs/dbraw/zinc/17/18/62/150171862.db2.gz GONGMFJSVDLALM-CYBMUJFWSA-N 2 1 311.433 2.659 20 0 DFADMP Cc1nnc([C@H]2CC23CC[NH+](CCC[NH+]2CCCCC2)CC3)o1 ZINC000372460845 150175396 /nfs/dbraw/zinc/17/53/96/150175396.db2.gz VKERAQRRVMKUJM-MRXNPFEDSA-N 2 1 318.465 2.824 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1)C1CC1 ZINC000351610206 286168710 /nfs/dbraw/zinc/16/87/10/286168710.db2.gz NOGWVUNEYKBNQE-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1)C1CC1 ZINC000351610206 286168711 /nfs/dbraw/zinc/16/87/11/286168711.db2.gz NOGWVUNEYKBNQE-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1)C1CC1 ZINC000351610206 286168712 /nfs/dbraw/zinc/16/87/12/286168712.db2.gz NOGWVUNEYKBNQE-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1)C1CC1 ZINC000351610206 286168713 /nfs/dbraw/zinc/16/87/13/286168713.db2.gz NOGWVUNEYKBNQE-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000373106543 150231582 /nfs/dbraw/zinc/23/15/82/150231582.db2.gz KDPNWTKSOPLQAJ-OAHLLOKOSA-N 2 1 315.417 2.687 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)CCc3ccccc3)C2)CC1 ZINC000374075578 150303330 /nfs/dbraw/zinc/30/33/30/150303330.db2.gz VINSLPWSOZEDQW-LJQANCHMSA-N 2 1 316.489 2.788 20 0 DFADMP C[C@H]1C[C@@H](CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526374 150373347 /nfs/dbraw/zinc/37/33/47/150373347.db2.gz HLYQEZASWQDCAL-LCLWPZTBSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@@H](CN[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000374526374 150373350 /nfs/dbraw/zinc/37/33/50/150373350.db2.gz HLYQEZASWQDCAL-LCLWPZTBSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526374 150373353 /nfs/dbraw/zinc/37/33/53/150373353.db2.gz HLYQEZASWQDCAL-LCLWPZTBSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000374526374 150373355 /nfs/dbraw/zinc/37/33/55/150373355.db2.gz HLYQEZASWQDCAL-LCLWPZTBSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+]1Cc1ccccc1 ZINC000374526374 150373357 /nfs/dbraw/zinc/37/33/57/150373357.db2.gz HLYQEZASWQDCAL-LCLWPZTBSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@@H](C[NH2+][C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000374526374 150373359 /nfs/dbraw/zinc/37/33/59/150373359.db2.gz HLYQEZASWQDCAL-LCLWPZTBSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859078 286233683 /nfs/dbraw/zinc/23/36/83/286233683.db2.gz ZSUMOXLUXFTNCF-KCQAQPDRSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859078 286233684 /nfs/dbraw/zinc/23/36/84/286233684.db2.gz ZSUMOXLUXFTNCF-KCQAQPDRSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@H](F)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351886212 286237399 /nfs/dbraw/zinc/23/73/99/286237399.db2.gz CESJXVHHOGPYCI-HRCADAONSA-N 2 1 300.462 2.946 20 0 DFADMP CCOC(=O)C1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000351932688 286248843 /nfs/dbraw/zinc/24/88/43/286248843.db2.gz WQSDGICVRHVEMM-UHFFFAOYSA-N 2 1 316.445 2.584 20 0 DFADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000351978917 286259209 /nfs/dbraw/zinc/25/92/09/286259209.db2.gz DCDHKRDOCOVXSN-UHFFFAOYSA-N 2 1 319.449 2.733 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[N@@H+]1C ZINC000352015167 286270253 /nfs/dbraw/zinc/27/02/53/286270253.db2.gz PHGLKIDOIXEIKT-DGCLKSJQSA-N 2 1 312.360 2.923 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[N@H+]1C ZINC000352015167 286270254 /nfs/dbraw/zinc/27/02/54/286270254.db2.gz PHGLKIDOIXEIKT-DGCLKSJQSA-N 2 1 312.360 2.923 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[NH+]1C ZINC000352015167 286270256 /nfs/dbraw/zinc/27/02/56/286270256.db2.gz PHGLKIDOIXEIKT-DGCLKSJQSA-N 2 1 312.360 2.923 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[NH+]1C ZINC000352015167 286270257 /nfs/dbraw/zinc/27/02/57/286270257.db2.gz PHGLKIDOIXEIKT-DGCLKSJQSA-N 2 1 312.360 2.923 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352108722 286294053 /nfs/dbraw/zinc/29/40/53/286294053.db2.gz ZABCEVOAEKUYLJ-HHXXYDBFSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352108722 286294054 /nfs/dbraw/zinc/29/40/54/286294054.db2.gz ZABCEVOAEKUYLJ-HHXXYDBFSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352108722 286294056 /nfs/dbraw/zinc/29/40/56/286294056.db2.gz ZABCEVOAEKUYLJ-HHXXYDBFSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352108722 286294057 /nfs/dbraw/zinc/29/40/57/286294057.db2.gz ZABCEVOAEKUYLJ-HHXXYDBFSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1CCC[C@@](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)([NH+](C)C)C1 ZINC000352215474 286319961 /nfs/dbraw/zinc/31/99/61/286319961.db2.gz DUXYFLDPZVHVKI-ZIFCJYIRSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+](CCC[NH3+])CC2CCCC2)c(F)c1 ZINC000352494280 286387812 /nfs/dbraw/zinc/38/78/12/286387812.db2.gz AAETVAFPJAEGSV-UHFFFAOYSA-N 2 1 321.440 2.914 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+](CCC[NH3+])CC2CCCC2)c(F)c1 ZINC000352494280 286387814 /nfs/dbraw/zinc/38/78/14/286387814.db2.gz AAETVAFPJAEGSV-UHFFFAOYSA-N 2 1 321.440 2.914 20 0 DFADMP CC(C)N(Cc1ccccc1)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495210 286388093 /nfs/dbraw/zinc/38/80/93/286388093.db2.gz JNEZXSOIWLBZQB-GOSISDBHSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)N(Cc1ccccc1)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495210 286388095 /nfs/dbraw/zinc/38/80/95/286388095.db2.gz JNEZXSOIWLBZQB-GOSISDBHSA-N 2 1 317.477 2.627 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCc1nc(-c2ccccc2)no1 ZINC000352504848 286391391 /nfs/dbraw/zinc/39/13/91/286391391.db2.gz VKFSIURTFDNXKD-INIZCTEOSA-N 2 1 314.433 2.873 20 0 DFADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)CC1CCCC1 ZINC000352487476 286385953 /nfs/dbraw/zinc/38/59/53/286385953.db2.gz FJXXARIHISNHRS-UHFFFAOYSA-N 2 1 321.440 2.995 20 0 DFADMP [NH3+]CCC[N@H+](Cc1cccc2c1OCCO2)CC1CCCC1 ZINC000352519662 286396299 /nfs/dbraw/zinc/39/62/99/286396299.db2.gz QPMMTEYYSZEALG-UHFFFAOYSA-N 2 1 304.434 2.799 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cnc21 ZINC000352527349 286398503 /nfs/dbraw/zinc/39/85/03/286398503.db2.gz ZHEPTRFOTMZJAZ-SFHVURJKSA-N 2 1 313.449 2.588 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)cnc21 ZINC000352527349 286398505 /nfs/dbraw/zinc/39/85/05/286398505.db2.gz ZHEPTRFOTMZJAZ-SFHVURJKSA-N 2 1 313.449 2.588 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CCOc3ccccc32)s1 ZINC000352765342 286461042 /nfs/dbraw/zinc/46/10/42/286461042.db2.gz NDTGAXXLIUFCSR-ZDUSSCGKSA-N 2 1 317.458 2.861 20 0 DFADMP C[C@H](CCc1cccn1C)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352765384 286461118 /nfs/dbraw/zinc/46/11/18/286461118.db2.gz JSFWWBQJFUNGTO-CYBMUJFWSA-N 2 1 306.479 2.654 20 0 DFADMP C[NH+](C)Cc1cnc(CNC[C@@H](C2CCCCC2)[NH+](C)C)s1 ZINC000352772363 286462851 /nfs/dbraw/zinc/46/28/51/286462851.db2.gz QDMJFLUWGIQENM-INIZCTEOSA-N 2 1 324.538 2.805 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCNc2ccccn2)s1 ZINC000352835858 286480707 /nfs/dbraw/zinc/48/07/07/286480707.db2.gz ZCVWTGDYGAJZKQ-UHFFFAOYSA-N 2 1 319.478 2.582 20 0 DFADMP Cc1cccc(CCC[NH2+]Cc2ncc(C[NH+](C)C)s2)n1 ZINC000352920802 286502841 /nfs/dbraw/zinc/50/28/41/286502841.db2.gz AOEJZHLCXNPRBR-UHFFFAOYSA-N 2 1 304.463 2.631 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C1(C(=O)OC)CCC1 ZINC000353355573 286621913 /nfs/dbraw/zinc/62/19/13/286621913.db2.gz RTFGMNZGEFIWEE-JKSUJKDBSA-N 2 1 310.482 2.818 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000246948587 158106714 /nfs/dbraw/zinc/10/67/14/158106714.db2.gz IDFFYRANPPCONS-LNLFQRSKSA-N 2 1 318.509 2.612 20 0 DFADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000246948587 158106719 /nfs/dbraw/zinc/10/67/19/158106719.db2.gz IDFFYRANPPCONS-LNLFQRSKSA-N 2 1 318.509 2.612 20 0 DFADMP CC[C@H](C)[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000246948587 158106723 /nfs/dbraw/zinc/10/67/23/158106723.db2.gz IDFFYRANPPCONS-LNLFQRSKSA-N 2 1 318.509 2.612 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246968481 158109862 /nfs/dbraw/zinc/10/98/62/158109862.db2.gz FYUWYNRXFZFPHP-NJAFHUGGSA-N 2 1 317.477 2.524 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246968481 158109865 /nfs/dbraw/zinc/10/98/65/158109865.db2.gz FYUWYNRXFZFPHP-NJAFHUGGSA-N 2 1 317.477 2.524 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246968481 158109869 /nfs/dbraw/zinc/10/98/69/158109869.db2.gz FYUWYNRXFZFPHP-NJAFHUGGSA-N 2 1 317.477 2.524 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246968481 158109873 /nfs/dbraw/zinc/10/98/73/158109873.db2.gz FYUWYNRXFZFPHP-NJAFHUGGSA-N 2 1 317.477 2.524 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039150 158115463 /nfs/dbraw/zinc/11/54/63/158115463.db2.gz RBNYWZUHCKAIMQ-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039150 158115464 /nfs/dbraw/zinc/11/54/64/158115464.db2.gz RBNYWZUHCKAIMQ-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4ccnc4)cc3)CC[C@H]21 ZINC000247039150 158115469 /nfs/dbraw/zinc/11/54/69/158115469.db2.gz RBNYWZUHCKAIMQ-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCn2c(C)nc3ccccc32)[C@@H](C)C1 ZINC000247885147 158152129 /nfs/dbraw/zinc/15/21/29/158152129.db2.gz CTPNXEXPQCUOKE-GOEBONIOSA-N 2 1 300.450 2.665 20 0 DFADMP CC[N@H+]1CC[C@@H](NCCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029092 158157322 /nfs/dbraw/zinc/15/73/22/158157322.db2.gz PYTUJFAAPAAOBP-PKOBYXMFSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@@H](NCCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029092 158157325 /nfs/dbraw/zinc/15/73/25/158157325.db2.gz PYTUJFAAPAAOBP-PKOBYXMFSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@@H](NCCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029092 158157329 /nfs/dbraw/zinc/15/73/29/158157329.db2.gz PYTUJFAAPAAOBP-PKOBYXMFSA-N 2 1 303.494 2.828 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062008 158158847 /nfs/dbraw/zinc/15/88/47/158158847.db2.gz LWQYLQOBSVKJIO-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062008 158158850 /nfs/dbraw/zinc/15/88/50/158158850.db2.gz LWQYLQOBSVKJIO-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062008 158158853 /nfs/dbraw/zinc/15/88/53/158158853.db2.gz LWQYLQOBSVKJIO-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP CC(C)C[N@H+]1CCO[C@H](CN[C@H](C)c2cc(F)cc(F)c2)C1 ZINC000248035774 158158915 /nfs/dbraw/zinc/15/89/15/158158915.db2.gz RPIXXZOJTIDYQR-CXAGYDPISA-N 2 1 312.404 2.972 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cccnc2)[C@@H](C)C1 ZINC000248061223 158159004 /nfs/dbraw/zinc/15/90/04/158159004.db2.gz YNNIXIZUCIWJEW-JZXOWHBKSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cccnc2)[C@@H](C)C1 ZINC000248061223 158159005 /nfs/dbraw/zinc/15/90/05/158159005.db2.gz YNNIXIZUCIWJEW-JZXOWHBKSA-N 2 1 305.466 2.869 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](O)CCc1ccccc1 ZINC000248563545 158184459 /nfs/dbraw/zinc/18/44/59/158184459.db2.gz KCCTUPRFUQGIKI-MOPGFXCFSA-N 2 1 313.445 2.650 20 0 DFADMP COc1ccsc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000248654258 158194689 /nfs/dbraw/zinc/19/46/89/158194689.db2.gz ZIVQJTXAKVPTCM-KGLIPLIRSA-N 2 1 312.479 2.644 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1Cc2ccccc2[C@H]1O ZINC000248748856 158200392 /nfs/dbraw/zinc/20/03/92/158200392.db2.gz FWPALVAGSXJFLN-PKOBYXMFSA-N 2 1 313.445 2.816 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1Cc2ccccc2[C@H]1O ZINC000248748856 158200395 /nfs/dbraw/zinc/20/03/95/158200395.db2.gz FWPALVAGSXJFLN-PKOBYXMFSA-N 2 1 313.445 2.816 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCOC2)[C@@H](C)C1 ZINC000356846024 158314025 /nfs/dbraw/zinc/31/40/25/158314025.db2.gz IZQACEMONWMCQD-MHORFTMASA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000356893191 158319103 /nfs/dbraw/zinc/31/91/03/158319103.db2.gz ILDWQZXYZKYJIG-VQIMIIECSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCOC1 ZINC000356893191 158319104 /nfs/dbraw/zinc/31/91/04/158319104.db2.gz ILDWQZXYZKYJIG-VQIMIIECSA-N 2 1 302.462 2.840 20 0 DFADMP CC1CC[NH+](CC(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000356982418 158339216 /nfs/dbraw/zinc/33/92/16/158339216.db2.gz WHCQPVUUIHOFBR-UHFFFAOYSA-N 2 1 321.509 2.513 20 0 DFADMP Cc1cnc([C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)o1 ZINC000357015884 158348695 /nfs/dbraw/zinc/34/86/95/158348695.db2.gz DPBLQTSTOPNFDS-OAHLLOKOSA-N 2 1 307.438 2.621 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCC1 ZINC000357039807 158354588 /nfs/dbraw/zinc/35/45/88/158354588.db2.gz OBAPFNFQHAHETN-UHFFFAOYSA-N 2 1 303.450 2.535 20 0 DFADMP c1cn(Cc2ccccc2)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357058834 158358088 /nfs/dbraw/zinc/35/80/88/158358088.db2.gz WMBCFTGWBHQBHQ-LJQANCHMSA-N 2 1 324.472 2.753 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccccn2)[C@@H](C)C1 ZINC000358291719 158369056 /nfs/dbraw/zinc/36/90/56/158369056.db2.gz GMKRUICAOXWIFO-HKUYNNGSSA-N 2 1 319.493 2.741 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358295517 158370013 /nfs/dbraw/zinc/37/00/13/158370013.db2.gz KBSKGSDHLIBYCV-MNEFBYGVSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358295517 158370016 /nfs/dbraw/zinc/37/00/16/158370016.db2.gz KBSKGSDHLIBYCV-MNEFBYGVSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000358344992 158372232 /nfs/dbraw/zinc/37/22/32/158372232.db2.gz MQVDKWFTNYJFIS-MDZRGWNJSA-N 2 1 316.493 2.537 20 0 DFADMP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000358344992 158372235 /nfs/dbraw/zinc/37/22/35/158372235.db2.gz MQVDKWFTNYJFIS-MDZRGWNJSA-N 2 1 316.493 2.537 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000358383515 158373960 /nfs/dbraw/zinc/37/39/60/158373960.db2.gz JPLFFGGVGFMBON-INIZCTEOSA-N 2 1 309.498 2.655 20 0 DFADMP CC1(C)CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000358728964 158405679 /nfs/dbraw/zinc/40/56/79/158405679.db2.gz XCFGNCRLUZHTLL-MJGOQNOKSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CCC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000358728964 158405682 /nfs/dbraw/zinc/40/56/82/158405682.db2.gz XCFGNCRLUZHTLL-MJGOQNOKSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000268929652 287022353 /nfs/dbraw/zinc/02/23/53/287022353.db2.gz QIZKNDCRPYBYOJ-UKRRQHHQSA-N 2 1 312.404 2.852 20 0 DFADMP CC[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@@]2(CCCOC2)O1 ZINC000369551755 287196448 /nfs/dbraw/zinc/19/64/48/287196448.db2.gz PKLMMXOQMRUOFL-KZNAEPCWSA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@@]2(CCCOC2)O1 ZINC000369551755 287196451 /nfs/dbraw/zinc/19/64/51/287196451.db2.gz PKLMMXOQMRUOFL-KZNAEPCWSA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@@]2(CCCOC2)O1 ZINC000369551755 287196454 /nfs/dbraw/zinc/19/64/54/287196454.db2.gz PKLMMXOQMRUOFL-KZNAEPCWSA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@@]2(CCCOC2)O1 ZINC000369551755 287196457 /nfs/dbraw/zinc/19/64/57/287196457.db2.gz PKLMMXOQMRUOFL-KZNAEPCWSA-N 2 1 310.482 2.521 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000129184584 196026701 /nfs/dbraw/zinc/02/67/01/196026701.db2.gz CRIPFECNGYATOJ-QFBILLFUSA-N 2 1 320.452 2.583 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000130536626 196088426 /nfs/dbraw/zinc/08/84/26/196088426.db2.gz XNBQQODTSONXJL-CQSZACIVSA-N 2 1 300.406 2.541 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)Nc1ccccc1 ZINC000130536626 196088427 /nfs/dbraw/zinc/08/84/27/196088427.db2.gz XNBQQODTSONXJL-CQSZACIVSA-N 2 1 300.406 2.541 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000131302261 196158781 /nfs/dbraw/zinc/15/87/81/196158781.db2.gz KEWGWNRKLASKNL-INIZCTEOSA-N 2 1 312.417 2.728 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000131351777 196161237 /nfs/dbraw/zinc/16/12/37/196161237.db2.gz QUBOXXYWFRADHI-UHFFFAOYSA-N 2 1 302.466 2.646 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccnc(N3CCCC3)c2)CC1 ZINC000131517145 196176572 /nfs/dbraw/zinc/17/65/72/196176572.db2.gz NZSYVJNNTBJCNS-UHFFFAOYSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1C[C@@H]2CCCC[NH+]2C1 ZINC000363585682 287266332 /nfs/dbraw/zinc/26/63/32/287266332.db2.gz CQMXIHWODMWKFM-SQNIBIBYSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363585682 287266334 /nfs/dbraw/zinc/26/63/34/287266334.db2.gz CQMXIHWODMWKFM-SQNIBIBYSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCCNC(=O)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000363585682 287266336 /nfs/dbraw/zinc/26/63/36/287266336.db2.gz CQMXIHWODMWKFM-SQNIBIBYSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000314587248 287268438 /nfs/dbraw/zinc/26/84/38/287268438.db2.gz DTAUIBKZRRIWLM-MGPQQGTHSA-N 2 1 308.388 2.950 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000132579367 196267506 /nfs/dbraw/zinc/26/75/06/196267506.db2.gz RRWQKSQWYJXJBJ-NVXWUHKLSA-N 2 1 307.482 2.765 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000133092818 196311268 /nfs/dbraw/zinc/31/12/68/196311268.db2.gz LLQYDUHVQDMVGE-CABCVRRESA-N 2 1 306.425 2.977 20 0 DFADMP Cc1ncc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C ZINC000667561412 543630711 /nfs/dbraw/zinc/63/07/11/543630711.db2.gz WEYUEMASYSIUKH-RDJZCZTQSA-N 2 1 304.482 2.815 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C ZINC000667561412 543630715 /nfs/dbraw/zinc/63/07/15/543630715.db2.gz WEYUEMASYSIUKH-RDJZCZTQSA-N 2 1 304.482 2.815 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C ZINC000667561412 543630717 /nfs/dbraw/zinc/63/07/17/543630717.db2.gz WEYUEMASYSIUKH-RDJZCZTQSA-N 2 1 304.482 2.815 20 0 DFADMP C[N@H+](Cc1ccc(O[C@@H]2CCOC2)cc1)CC1CC[NH+](C)CC1 ZINC000667597408 543638718 /nfs/dbraw/zinc/63/87/18/543638718.db2.gz LWVBMHGRESBIGD-LJQANCHMSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+]1CCC([N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667493827 543617558 /nfs/dbraw/zinc/61/75/58/543617558.db2.gz DSQVBJKSRSXUSC-IBGZPJMESA-N 2 1 318.461 2.770 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000667493827 543617562 /nfs/dbraw/zinc/61/75/62/543617562.db2.gz DSQVBJKSRSXUSC-IBGZPJMESA-N 2 1 318.461 2.770 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)Nc2cccc(C[NH3+])c2)CC1 ZINC000667731012 543668343 /nfs/dbraw/zinc/66/83/43/543668343.db2.gz JDVPBHYDCKYQGI-UHFFFAOYSA-N 2 1 318.465 2.729 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3ccncc3s1)CCO2 ZINC000668277872 543782797 /nfs/dbraw/zinc/78/27/97/543782797.db2.gz SGRLISQIPYEKLF-UHFFFAOYSA-N 2 1 317.458 2.593 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188414 543762952 /nfs/dbraw/zinc/76/29/52/543762952.db2.gz HQDOUXKRGYYVOP-APWZRJJASA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188414 543762954 /nfs/dbraw/zinc/76/29/54/543762954.db2.gz HQDOUXKRGYYVOP-APWZRJJASA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000668188414 543762957 /nfs/dbraw/zinc/76/29/57/543762957.db2.gz HQDOUXKRGYYVOP-APWZRJJASA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000668188414 543762960 /nfs/dbraw/zinc/76/29/60/543762960.db2.gz HQDOUXKRGYYVOP-APWZRJJASA-N 2 1 318.461 2.628 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+](C)CC1CN(C)C1 ZINC000668538780 543821027 /nfs/dbraw/zinc/82/10/27/543821027.db2.gz CKOWJHMIRPRFMW-UHFFFAOYSA-N 2 1 318.852 2.828 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+](C)CC1CN(C)C1 ZINC000668538780 543821029 /nfs/dbraw/zinc/82/10/29/543821029.db2.gz CKOWJHMIRPRFMW-UHFFFAOYSA-N 2 1 318.852 2.828 20 0 DFADMP CC[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738773 543857508 /nfs/dbraw/zinc/85/75/08/543857508.db2.gz GCCLBOSMFROFQW-LPHOPBHVSA-N 2 1 302.462 2.711 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000296584681 226018468 /nfs/dbraw/zinc/01/84/68/226018468.db2.gz UOKJCCUGRRIVMH-NTZNESFSSA-N 2 1 301.356 2.919 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000296584681 226018473 /nfs/dbraw/zinc/01/84/73/226018473.db2.gz UOKJCCUGRRIVMH-NTZNESFSSA-N 2 1 301.356 2.919 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000296570246 226004211 /nfs/dbraw/zinc/00/42/11/226004211.db2.gz VZFHKZHNCOIIMP-MAUKXSAKSA-N 2 1 317.477 2.623 20 0 DFADMP Cc1cc(NC(=O)NC2CC[NH+](C(C)C)CC2)cn2cc[nH+]c12 ZINC000296744325 226188179 /nfs/dbraw/zinc/18/81/79/226188179.db2.gz DBZMRQOEURLKMD-UHFFFAOYSA-N 2 1 315.421 2.637 20 0 DFADMP CC[C@H](Cc1cccs1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618858 543976014 /nfs/dbraw/zinc/97/60/14/543976014.db2.gz MWQPZUBIIKWXQW-OAHLLOKOSA-N 2 1 309.523 2.685 20 0 DFADMP C[C@@H]1CN(CC[N@@H+](C)Cc2ccccc2)CC[NH+](C2CC2)C1 ZINC000296691353 226128885 /nfs/dbraw/zinc/12/88/85/226128885.db2.gz JVQHJTSBYDDYKI-QGZVFWFLSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@@H+](C2CC2)C1 ZINC000296691353 226128891 /nfs/dbraw/zinc/12/88/91/226128891.db2.gz JVQHJTSBYDDYKI-QGZVFWFLSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@H+](C2CC2)C1 ZINC000296691353 226128895 /nfs/dbraw/zinc/12/88/95/226128895.db2.gz JVQHJTSBYDDYKI-QGZVFWFLSA-N 2 1 301.478 2.535 20 0 DFADMP COc1ccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1 ZINC000669927535 544008294 /nfs/dbraw/zinc/00/82/94/544008294.db2.gz IIWUFUVIYCMPDV-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740775 544104443 /nfs/dbraw/zinc/10/44/43/544104443.db2.gz COVJLNGVBWMHNO-VXGBXAGGSA-N 2 1 301.390 2.668 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000671739825 544104764 /nfs/dbraw/zinc/10/47/64/544104764.db2.gz HAFSYGKWUMJRJH-NSHDSACASA-N 2 1 301.390 2.811 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c(C)c1OC ZINC000671756250 544107186 /nfs/dbraw/zinc/10/71/86/544107186.db2.gz FTAPLUDWRWEZCA-KBPBESRZSA-N 2 1 315.417 2.874 20 0 DFADMP C[NH+](C)[C@H]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297364875 227071257 /nfs/dbraw/zinc/07/12/57/227071257.db2.gz GBLCUMWIIFHJSO-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCOCc2ccc(OC)cc2)C1 ZINC000673713620 544193378 /nfs/dbraw/zinc/19/33/78/544193378.db2.gz KQLNWKHQNRMVOC-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCOCc2ccc(OC)cc2)C1 ZINC000673713620 544193380 /nfs/dbraw/zinc/19/33/80/544193380.db2.gz KQLNWKHQNRMVOC-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCOCc2ccc(OC)cc2)C1 ZINC000673713620 544193383 /nfs/dbraw/zinc/19/33/83/544193383.db2.gz KQLNWKHQNRMVOC-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCOCc2ccc(OC)cc2)C1 ZINC000673713620 544193385 /nfs/dbraw/zinc/19/33/85/544193385.db2.gz KQLNWKHQNRMVOC-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP COc1ccc(F)cc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000291066801 222111028 /nfs/dbraw/zinc/11/10/28/222111028.db2.gz QLJMTRBDUNXICI-OAHLLOKOSA-N 2 1 306.425 2.998 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000291210839 222226229 /nfs/dbraw/zinc/22/62/29/222226229.db2.gz MSMYZRXVYRYQQJ-NUJGCVRESA-N 2 1 319.468 2.972 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000291221034 222234845 /nfs/dbraw/zinc/23/48/45/222234845.db2.gz NJWJXNJCLUTSOL-BZUAXINKSA-N 2 1 305.441 2.724 20 0 DFADMP CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000674286952 544229145 /nfs/dbraw/zinc/22/91/45/544229145.db2.gz JZYINQZVQYJOLG-SOLBZPMBSA-N 2 1 317.477 2.621 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC000674365113 544236169 /nfs/dbraw/zinc/23/61/69/544236169.db2.gz HQAHSRMEFAALOT-ROUUACIJSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)OCCO2 ZINC000674881182 544273058 /nfs/dbraw/zinc/27/30/58/544273058.db2.gz YPSUUOJRIXKQNF-HOCLYGCPSA-N 2 1 304.434 2.983 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000674881182 544273059 /nfs/dbraw/zinc/27/30/59/544273059.db2.gz YPSUUOJRIXKQNF-HOCLYGCPSA-N 2 1 304.434 2.983 20 0 DFADMP CCC[C@@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000675131062 544286074 /nfs/dbraw/zinc/28/60/74/544286074.db2.gz GFAGEDJLFUPUIX-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000675131062 544286077 /nfs/dbraw/zinc/28/60/77/544286077.db2.gz GFAGEDJLFUPUIX-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000675131062 544286078 /nfs/dbraw/zinc/28/60/78/544286078.db2.gz GFAGEDJLFUPUIX-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000675131062 544286079 /nfs/dbraw/zinc/28/60/79/544286079.db2.gz GFAGEDJLFUPUIX-IEBWSBKVSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)nc1 ZINC000675551821 544319122 /nfs/dbraw/zinc/31/91/22/544319122.db2.gz WXNXFYOREWWPKA-QGZVFWFLSA-N 2 1 311.433 2.555 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cnc4ccccn34)C2)c1 ZINC000675247573 544296604 /nfs/dbraw/zinc/29/66/04/544296604.db2.gz YRPAIOSWBKGWII-INIZCTEOSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)c1 ZINC000675247573 544296605 /nfs/dbraw/zinc/29/66/05/544296605.db2.gz YRPAIOSWBKGWII-INIZCTEOSA-N 2 1 321.428 2.972 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)[C@H](C)C1 ZINC000675926273 544345166 /nfs/dbraw/zinc/34/51/66/544345166.db2.gz APAMHFOELKMEBE-SCTDSRPQSA-N 2 1 319.493 2.912 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2C/C=C\c1ccccc1 ZINC000676716739 544396246 /nfs/dbraw/zinc/39/62/46/544396246.db2.gz LCRYSKFXBYWWCL-ACAUQZJGSA-N 2 1 300.446 2.883 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C/C=C\c1ccccc1 ZINC000676716739 544396249 /nfs/dbraw/zinc/39/62/49/544396249.db2.gz LCRYSKFXBYWWCL-ACAUQZJGSA-N 2 1 300.446 2.883 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cscc2Cl)CC1 ZINC000676416236 544375736 /nfs/dbraw/zinc/37/57/36/544375736.db2.gz NMIXYXCUJDZOJB-UHFFFAOYSA-N 2 1 301.887 2.519 20 0 DFADMP C[C@@H]1C[N@H+](C/C=C\c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904574 544563252 /nfs/dbraw/zinc/56/32/52/544563252.db2.gz UWYJDVFHZKYBDF-FBYVNHBUSA-N 2 1 313.489 2.658 20 0 DFADMP C[C@@H]1C[N@@H+](C/C=C\c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000677904574 544563257 /nfs/dbraw/zinc/56/32/57/544563257.db2.gz UWYJDVFHZKYBDF-FBYVNHBUSA-N 2 1 313.489 2.658 20 0 DFADMP C[C@H](CO)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000678044673 544587065 /nfs/dbraw/zinc/58/70/65/544587065.db2.gz RPGTVDFFGUSCBK-HKUYNNGSSA-N 2 1 302.462 2.603 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000678044673 544587070 /nfs/dbraw/zinc/58/70/70/544587070.db2.gz RPGTVDFFGUSCBK-HKUYNNGSSA-N 2 1 302.462 2.603 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000678044673 544587074 /nfs/dbraw/zinc/58/70/74/544587074.db2.gz RPGTVDFFGUSCBK-HKUYNNGSSA-N 2 1 302.462 2.603 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CC(c2nc3ccccc3[nH]2)C1 ZINC000678078539 544595472 /nfs/dbraw/zinc/59/54/72/544595472.db2.gz QFQBUIITINPPDR-UHFFFAOYSA-N 2 1 309.417 2.947 20 0 DFADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3coc4ccccc34)CC2)C1 ZINC000678258722 544634772 /nfs/dbraw/zinc/63/47/72/544634772.db2.gz LBGYXAWETITAKD-KRWDZBQOSA-N 2 1 313.445 2.645 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3coc4ccccc34)CC2)C1 ZINC000678258722 544634776 /nfs/dbraw/zinc/63/47/76/544634776.db2.gz LBGYXAWETITAKD-KRWDZBQOSA-N 2 1 313.445 2.645 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc(N(C)C)nc2)CC1 ZINC000678195311 544618784 /nfs/dbraw/zinc/61/87/84/544618784.db2.gz NUGPMQSOVGSOOJ-UHFFFAOYSA-N 2 1 304.482 2.700 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000678214966 544621396 /nfs/dbraw/zinc/62/13/96/544621396.db2.gz ZPZGHVLEMIALHY-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H](C)O1 ZINC000678214966 544621398 /nfs/dbraw/zinc/62/13/98/544621398.db2.gz ZPZGHVLEMIALHY-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1 ZINC000678426801 544671634 /nfs/dbraw/zinc/67/16/34/544671634.db2.gz IUHMHVQFAHEBEO-DLBZAZTESA-N 2 1 317.477 2.850 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1 ZINC000678426803 544671725 /nfs/dbraw/zinc/67/17/25/544671725.db2.gz IUHMHVQFAHEBEO-IRXDYDNUSA-N 2 1 317.477 2.850 20 0 DFADMP OCCC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1CC1 ZINC000678264278 544637749 /nfs/dbraw/zinc/63/77/49/544637749.db2.gz STBXSEZUUMLMTO-UHFFFAOYSA-N 2 1 318.461 2.508 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1F ZINC000443058037 297213788 /nfs/dbraw/zinc/21/37/88/297213788.db2.gz IXIFSAWEKGQDTP-KBPBESRZSA-N 2 1 307.413 2.522 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000678272213 544639873 /nfs/dbraw/zinc/63/98/73/544639873.db2.gz CODNHEQWKWHXOY-DLBZAZTESA-N 2 1 319.493 2.542 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2nn(C)c3ccccc23)C[C@H]1C ZINC000678276583 544641454 /nfs/dbraw/zinc/64/14/54/544641454.db2.gz JSTGGTLUUXCGNQ-HUUCEWRRSA-N 2 1 300.450 2.878 20 0 DFADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000678544738 544690428 /nfs/dbraw/zinc/69/04/28/544690428.db2.gz FDNPITZCUNBJPK-NVXWUHKLSA-N 2 1 303.450 2.684 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000678954796 544756324 /nfs/dbraw/zinc/75/63/24/544756324.db2.gz RQSNJULRTLDMJW-GFCCVEGCSA-N 2 1 304.463 2.953 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000679023825 544770143 /nfs/dbraw/zinc/77/01/43/544770143.db2.gz HRXACLBNSHVXHJ-NWDGAFQWSA-N 2 1 319.380 2.705 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000679023741 544770323 /nfs/dbraw/zinc/77/03/23/544770323.db2.gz WLEIWOCENKTBFT-GJZGRUSLSA-N 2 1 300.450 2.671 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H]([NH2+][C@@H](C[C@H]1CCOC1)c1ccccc1)C2 ZINC000679025256 544770406 /nfs/dbraw/zinc/77/04/06/544770406.db2.gz JNASZNDEUQQBJA-NXHRZFHOSA-N 2 1 311.429 2.955 20 0 DFADMP C[C@@H]1C[C@H](Nc2cccc(OCCC[NH+](C)C)c2)CC[N@H+]1C ZINC000679147970 544792401 /nfs/dbraw/zinc/79/24/01/544792401.db2.gz MMZVPHDLNSDIGL-NVXWUHKLSA-N 2 1 305.466 2.912 20 0 DFADMP C[C@H](CCCCO)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000679337064 544836631 /nfs/dbraw/zinc/83/66/31/544836631.db2.gz JWQZBUVOWGQDFM-MJGOQNOKSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000679723028 544905924 /nfs/dbraw/zinc/90/59/24/544905924.db2.gz JLWALJCNRBBGTP-LZLYRXPVSA-N 3 1 307.526 2.959 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000680334016 544992874 /nfs/dbraw/zinc/99/28/74/544992874.db2.gz KMFBAKVRZGQSCU-JQHSSLGASA-N 2 1 302.487 2.992 20 0 DFADMP Cc1ccc([C@H](CNc2cc[nH+]cc2C(N)=O)[NH+]2CCCC2)cc1 ZINC000302232452 230189470 /nfs/dbraw/zinc/18/94/70/230189470.db2.gz SKOVRMAVGMUILV-SFHVURJKSA-N 2 1 324.428 2.738 20 0 DFADMP COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000124518027 425924558 /nfs/dbraw/zinc/92/45/58/425924558.db2.gz QYLBZFXGVXVYGJ-CYBMUJFWSA-N 2 1 309.454 2.518 20 0 DFADMP COC(=O)C1CCC([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)CC1 ZINC000192439337 268037258 /nfs/dbraw/zinc/03/72/58/268037258.db2.gz FWAIJKHFZMGPAQ-KLAILNCOSA-N 2 1 310.482 2.820 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)NC(=O)CO2 ZINC000192925298 268054146 /nfs/dbraw/zinc/05/41/46/268054146.db2.gz KWSZGIPEJCTDKS-CQSZACIVSA-N 2 1 317.433 2.544 20 0 DFADMP OC(C[NH+]1CCC[C@@H]1C1CCC1)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000194474492 268105012 /nfs/dbraw/zinc/10/50/12/268105012.db2.gz IYQQASCIZYTHMT-RTBURBONSA-N 2 1 306.494 2.876 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(C)(C)C[NH3+])c1 ZINC000236828027 268151883 /nfs/dbraw/zinc/15/18/83/268151883.db2.gz MRTYSEWJROOWHD-UHFFFAOYSA-N 2 1 314.433 2.978 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000270604991 268190649 /nfs/dbraw/zinc/19/06/49/268190649.db2.gz GOTYTABBBQSBRZ-PKOBYXMFSA-N 2 1 312.461 2.834 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000270604991 268190651 /nfs/dbraw/zinc/19/06/51/268190651.db2.gz GOTYTABBBQSBRZ-PKOBYXMFSA-N 2 1 312.461 2.834 20 0 DFADMP CCC[N@H+](CCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000270889677 268231494 /nfs/dbraw/zinc/23/14/94/268231494.db2.gz XIDRIRPRMMPTDD-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP CCC[N@@H+](CCn1cc[nH+]c1C)C[C@@H]1COc2ccccc2O1 ZINC000270889677 268231496 /nfs/dbraw/zinc/23/14/96/268231496.db2.gz XIDRIRPRMMPTDD-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272653325 268252652 /nfs/dbraw/zinc/25/26/52/268252652.db2.gz KWRQUQXATOTYNT-LMMKCTJWSA-N 2 1 312.461 2.772 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCCC2)nc1 ZINC000289456655 268280423 /nfs/dbraw/zinc/28/04/23/268280423.db2.gz NVSMUIAGZXURKK-UHFFFAOYSA-N 2 1 316.493 2.990 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(N2CCCC2)nc1 ZINC000289456655 268280424 /nfs/dbraw/zinc/28/04/24/268280424.db2.gz NVSMUIAGZXURKK-UHFFFAOYSA-N 2 1 316.493 2.990 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000291221039 268283240 /nfs/dbraw/zinc/28/32/40/268283240.db2.gz NJWJXNJCLUTSOL-OWCLPIDISA-N 2 1 305.441 2.724 20 0 DFADMP CC(C)Oc1ccc([C@@H](O)C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298363533 268314814 /nfs/dbraw/zinc/31/48/14/268314814.db2.gz KIEGVEMGRSDUJJ-IBGZPJMESA-N 2 1 318.461 2.724 20 0 DFADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(NC(=O)C2CC2)cc1 ZINC000298580288 268315361 /nfs/dbraw/zinc/31/53/61/268315361.db2.gz XQORMDAMGFRENN-ZDUSSCGKSA-N 2 1 312.417 2.662 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000324005884 268349982 /nfs/dbraw/zinc/34/99/82/268349982.db2.gz NACRYHKAAITFSA-CALCHBBNSA-N 2 1 318.461 2.786 20 0 DFADMP CCN(CC[C@@H]1CCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833619 425941098 /nfs/dbraw/zinc/94/10/98/425941098.db2.gz DXOCHRMEODQJIK-JKSUJKDBSA-N 2 1 304.434 2.633 20 0 DFADMP CC[N@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833619 425941101 /nfs/dbraw/zinc/94/11/01/425941101.db2.gz DXOCHRMEODQJIK-JKSUJKDBSA-N 2 1 304.434 2.633 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833619 425941103 /nfs/dbraw/zinc/94/11/03/425941103.db2.gz DXOCHRMEODQJIK-JKSUJKDBSA-N 2 1 304.434 2.633 20 0 DFADMP CC[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833619 425941107 /nfs/dbraw/zinc/94/11/07/425941107.db2.gz DXOCHRMEODQJIK-JKSUJKDBSA-N 2 1 304.434 2.633 20 0 DFADMP CC[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H]1COc2ccccc2O1 ZINC000124833619 425941108 /nfs/dbraw/zinc/94/11/08/425941108.db2.gz DXOCHRMEODQJIK-JKSUJKDBSA-N 2 1 304.434 2.633 20 0 DFADMP C[C@H](c1ccc([S@](C)=O)cc1)N(C)CC[C@@H]1CCC[N@H+]1C ZINC000124908589 425944741 /nfs/dbraw/zinc/94/47/41/425944741.db2.gz VCGHUGUDXLZQGY-IVZHQMGZSA-N 2 1 308.491 2.901 20 0 DFADMP CCN(C(=O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000158588247 425944938 /nfs/dbraw/zinc/94/49/38/425944938.db2.gz JLDUILXEPLZZJI-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1)C1CCCCC1 ZINC000158588247 425944940 /nfs/dbraw/zinc/94/49/40/425944940.db2.gz JLDUILXEPLZZJI-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCCC1 ZINC000158588247 425944941 /nfs/dbraw/zinc/94/49/41/425944941.db2.gz JLDUILXEPLZZJI-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)C1CCCCC1 ZINC000158588247 425944943 /nfs/dbraw/zinc/94/49/43/425944943.db2.gz JLDUILXEPLZZJI-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158755217 425947207 /nfs/dbraw/zinc/94/72/07/425947207.db2.gz ZWEVVUCCPNSOPE-BSDSXHPESA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158755217 425947208 /nfs/dbraw/zinc/94/72/08/425947208.db2.gz ZWEVVUCCPNSOPE-BSDSXHPESA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158755217 425947210 /nfs/dbraw/zinc/94/72/10/425947210.db2.gz ZWEVVUCCPNSOPE-BSDSXHPESA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158755217 425947213 /nfs/dbraw/zinc/94/72/13/425947213.db2.gz ZWEVVUCCPNSOPE-BSDSXHPESA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158755217 425947214 /nfs/dbraw/zinc/94/72/14/425947214.db2.gz ZWEVVUCCPNSOPE-BSDSXHPESA-N 2 1 321.509 2.582 20 0 DFADMP Cc1cc(NC[C@@H]2C[N@@H+](C3CC3)CCO2)c2cc(F)ccc2[nH+]1 ZINC000124995209 425948412 /nfs/dbraw/zinc/94/84/12/425948412.db2.gz PTYMYLNOHTYUPO-OAHLLOKOSA-N 2 1 315.392 2.957 20 0 DFADMP Cc1cc(NC[C@@H]2C[N@H+](C3CC3)CCO2)c2cc(F)ccc2[nH+]1 ZINC000124995209 425948413 /nfs/dbraw/zinc/94/84/13/425948413.db2.gz PTYMYLNOHTYUPO-OAHLLOKOSA-N 2 1 315.392 2.957 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000159008275 425952924 /nfs/dbraw/zinc/95/29/24/425952924.db2.gz FNBUTONCXHUUIT-QZTJIDSGSA-N 2 1 323.525 2.543 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCOC1CCCC1 ZINC000125313909 425966028 /nfs/dbraw/zinc/96/60/28/425966028.db2.gz IOJJPDGKTPSECY-NEWSRXKRSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1ccc(C)c(N2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000125551940 425978875 /nfs/dbraw/zinc/97/88/75/425978875.db2.gz YYUMHZBXBKTKPP-GOSISDBHSA-N 2 1 301.478 2.910 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)OCCO2 ZINC000161619681 426031993 /nfs/dbraw/zinc/03/19/93/426031993.db2.gz YFLKVYJXVLNBTK-CWRNSKLLSA-N 2 1 302.418 2.735 20 0 DFADMP COC[C@H]([NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1)C1CC1 ZINC000161762997 426037454 /nfs/dbraw/zinc/03/74/54/426037454.db2.gz HJBFTHNPEYXLGT-KRWDZBQOSA-N 2 1 323.506 2.678 20 0 DFADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CC3=CCCOC3)C2)c1 ZINC000126890908 426040702 /nfs/dbraw/zinc/04/07/02/426040702.db2.gz LSEQDKINWYXCJO-HNNXBMFYSA-N 2 1 306.475 2.896 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CC3=CCCOC3)C2)c1 ZINC000126890908 426040705 /nfs/dbraw/zinc/04/07/05/426040705.db2.gz LSEQDKINWYXCJO-HNNXBMFYSA-N 2 1 306.475 2.896 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000126910525 426042146 /nfs/dbraw/zinc/04/21/46/426042146.db2.gz QMXOIAJTZGCZAO-WMLDXEAASA-N 2 1 308.491 2.975 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000126910525 426042147 /nfs/dbraw/zinc/04/21/47/426042147.db2.gz QMXOIAJTZGCZAO-WMLDXEAASA-N 2 1 308.491 2.975 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000074257110 426043379 /nfs/dbraw/zinc/04/33/79/426043379.db2.gz JZXMYAXTDVXIGV-MRXNPFEDSA-N 2 1 320.481 2.633 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000076002687 426093298 /nfs/dbraw/zinc/09/32/98/426093298.db2.gz KPZNQLHOPVTTGQ-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000163228657 426093508 /nfs/dbraw/zinc/09/35/08/426093508.db2.gz CRHSPTZXUMDRRK-LSDHHAIUSA-N 2 1 317.433 2.636 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000163290041 426095317 /nfs/dbraw/zinc/09/53/17/426095317.db2.gz TWFUYTAZFZBISV-WMZOPIPTSA-N 2 1 312.461 2.924 20 0 DFADMP C[N@@H+](Cc1ccccc1NC(=O)[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000163459607 426100652 /nfs/dbraw/zinc/10/06/52/426100652.db2.gz MLSOLUYQIJSDBL-HNNXBMFYSA-N 2 1 315.461 2.999 20 0 DFADMP C[C@@H]([NH2+]Cc1nccs1)c1ccc(OCC[NH+](C)C)cc1 ZINC000128121039 426102465 /nfs/dbraw/zinc/10/24/65/426102465.db2.gz NWMHSVVDKOYPAQ-CYBMUJFWSA-N 2 1 305.447 2.934 20 0 DFADMP CCn1cc([C@H](C)[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cn1 ZINC000128175722 426104433 /nfs/dbraw/zinc/10/44/33/426104433.db2.gz KSUXLPQPDUVCGQ-HNNXBMFYSA-N 2 1 313.449 2.926 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)C1CCCCC1 ZINC000128208631 426106915 /nfs/dbraw/zinc/10/69/15/426106915.db2.gz NNPJNPDBFDQSTG-IRXDYDNUSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]C2)cc1 ZINC000164563647 426115790 /nfs/dbraw/zinc/11/57/90/426115790.db2.gz SMPOSSKKDUSWPX-NVXWUHKLSA-N 2 1 315.461 2.999 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000113515875 426116582 /nfs/dbraw/zinc/11/65/82/426116582.db2.gz ZMAKKIXMSHAQRJ-CYBMUJFWSA-N 2 1 320.462 2.614 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000113515875 426116585 /nfs/dbraw/zinc/11/65/85/426116585.db2.gz ZMAKKIXMSHAQRJ-CYBMUJFWSA-N 2 1 320.462 2.614 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CC2 ZINC000128506450 426120157 /nfs/dbraw/zinc/12/01/57/426120157.db2.gz QHNIGKQYQBXMDS-IBGZPJMESA-N 2 1 301.478 2.600 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165311652 426121534 /nfs/dbraw/zinc/12/15/34/426121534.db2.gz UZRQNXAXDMBMEA-WMZOPIPTSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165311652 426121536 /nfs/dbraw/zinc/12/15/36/426121536.db2.gz UZRQNXAXDMBMEA-WMZOPIPTSA-N 2 1 312.461 2.635 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000166351234 426127434 /nfs/dbraw/zinc/12/74/34/426127434.db2.gz YMOMGZGNONWBMG-WMZOPIPTSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+]1C ZINC000166330821 426127801 /nfs/dbraw/zinc/12/78/01/426127801.db2.gz IYVWDGMMYJXDNR-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000166330821 426127805 /nfs/dbraw/zinc/12/78/05/426127805.db2.gz IYVWDGMMYJXDNR-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000166330821 426127809 /nfs/dbraw/zinc/12/78/09/426127809.db2.gz IYVWDGMMYJXDNR-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP COCCOc1cc(C)ccc1CN[C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000167635683 426133316 /nfs/dbraw/zinc/13/33/16/426133316.db2.gz GBOUKCCCKFIMDE-JZXOWHBKSA-N 2 1 320.477 2.839 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000167635683 426133319 /nfs/dbraw/zinc/13/33/19/426133319.db2.gz GBOUKCCCKFIMDE-JZXOWHBKSA-N 2 1 320.477 2.839 20 0 DFADMP C[N@@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000167653307 426133834 /nfs/dbraw/zinc/13/38/34/426133834.db2.gz RAKGONPTCWLMDM-SFHVURJKSA-N 2 1 323.440 2.945 20 0 DFADMP C[N@H+]1CCN(C(=O)CC[C@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000167653307 426133835 /nfs/dbraw/zinc/13/38/35/426133835.db2.gz RAKGONPTCWLMDM-SFHVURJKSA-N 2 1 323.440 2.945 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+](C)[C@H](C)c2cccs2)CC1 ZINC000114455321 426135627 /nfs/dbraw/zinc/13/56/27/426135627.db2.gz JYBPQKHHROTQPE-CQSZACIVSA-N 2 1 323.506 2.730 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)[C@H](C)c2cccs2)CC1 ZINC000114455321 426135628 /nfs/dbraw/zinc/13/56/28/426135628.db2.gz JYBPQKHHROTQPE-CQSZACIVSA-N 2 1 323.506 2.730 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn3cccnc3n2)CC1 ZINC000114475754 426137298 /nfs/dbraw/zinc/13/72/98/426137298.db2.gz XUCVLJZBBTWWID-UHFFFAOYSA-N 2 1 315.465 2.673 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000162801091 426077227 /nfs/dbraw/zinc/07/72/27/426077227.db2.gz WFJYNUNHNFBENB-ZTFGCOKTSA-N 2 1 306.425 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000162801091 426077229 /nfs/dbraw/zinc/07/72/29/426077229.db2.gz WFJYNUNHNFBENB-ZTFGCOKTSA-N 2 1 306.425 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000162801091 426077232 /nfs/dbraw/zinc/07/72/32/426077232.db2.gz WFJYNUNHNFBENB-ZTFGCOKTSA-N 2 1 306.425 2.584 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000127661476 426078822 /nfs/dbraw/zinc/07/88/22/426078822.db2.gz MXSCIZIKIVHLMP-YQVWRLOYSA-N 2 1 318.509 2.612 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834526 426085867 /nfs/dbraw/zinc/08/58/67/426085867.db2.gz YPQGRORTUPYLSA-KRWDZBQOSA-N 2 1 316.445 2.781 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000075834526 426085871 /nfs/dbraw/zinc/08/58/71/426085871.db2.gz YPQGRORTUPYLSA-KRWDZBQOSA-N 2 1 316.445 2.781 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835466 426086240 /nfs/dbraw/zinc/08/62/40/426086240.db2.gz GRKCJGYADBYUAZ-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP COc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835466 426086243 /nfs/dbraw/zinc/08/62/43/426086243.db2.gz GRKCJGYADBYUAZ-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000132796245 426171305 /nfs/dbraw/zinc/17/13/05/426171305.db2.gz FHNBUZSPLKENFS-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CN(C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000132796245 426171308 /nfs/dbraw/zinc/17/13/08/426171308.db2.gz FHNBUZSPLKENFS-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000132796245 426171311 /nfs/dbraw/zinc/17/13/11/426171311.db2.gz FHNBUZSPLKENFS-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000132796245 426171314 /nfs/dbraw/zinc/17/13/14/426171314.db2.gz FHNBUZSPLKENFS-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000132796245 426171316 /nfs/dbraw/zinc/17/13/16/426171316.db2.gz FHNBUZSPLKENFS-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000132796245 426171319 /nfs/dbraw/zinc/17/13/19/426171319.db2.gz FHNBUZSPLKENFS-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C1=C[C@H]2C[C@@H]1C[C@@H]2C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000078482910 426171611 /nfs/dbraw/zinc/17/16/11/426171611.db2.gz IMRJXDJEZPHCGS-FUHIMQAGSA-N 2 1 312.457 2.821 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000134068841 426185120 /nfs/dbraw/zinc/18/51/20/426185120.db2.gz JRHBUOZBHDNCLJ-WDSOQIARSA-N 2 1 301.478 2.896 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(C)C ZINC000116396075 426188861 /nfs/dbraw/zinc/18/88/61/426188861.db2.gz JYXHBASAUVICQI-HZPDHXFCSA-N 2 1 313.530 2.976 20 0 DFADMP CCCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000171527290 426193187 /nfs/dbraw/zinc/19/31/87/426193187.db2.gz DMPNZBHMZIBXQV-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000134879326 426198523 /nfs/dbraw/zinc/19/85/23/426198523.db2.gz CSPOKGNKBPTMOP-NIKGAXFTSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000134879326 426198526 /nfs/dbraw/zinc/19/85/26/426198526.db2.gz CSPOKGNKBPTMOP-NIKGAXFTSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1F ZINC000134879326 426198529 /nfs/dbraw/zinc/19/85/29/426198529.db2.gz CSPOKGNKBPTMOP-NIKGAXFTSA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1F ZINC000134879326 426198533 /nfs/dbraw/zinc/19/85/33/426198533.db2.gz CSPOKGNKBPTMOP-NIKGAXFTSA-N 2 1 318.436 2.808 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000134915883 426198920 /nfs/dbraw/zinc/19/89/20/426198920.db2.gz BISDXHZKNJSAKO-ZFWWWQNUSA-N 2 1 320.399 2.904 20 0 DFADMP FC(F)(F)COCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000134915883 426198921 /nfs/dbraw/zinc/19/89/21/426198921.db2.gz BISDXHZKNJSAKO-ZFWWWQNUSA-N 2 1 320.399 2.904 20 0 DFADMP FC(F)(F)COCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000134915883 426198923 /nfs/dbraw/zinc/19/89/23/426198923.db2.gz BISDXHZKNJSAKO-ZFWWWQNUSA-N 2 1 320.399 2.904 20 0 DFADMP C[C@@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1n1ccnc1 ZINC000136097156 426234717 /nfs/dbraw/zinc/23/47/17/426234717.db2.gz YXNHROIUPIQUHO-NXHRZFHOSA-N 2 1 324.428 2.572 20 0 DFADMP C[C@@H]1CCN([C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1n1ccnc1 ZINC000136097156 426234719 /nfs/dbraw/zinc/23/47/19/426234719.db2.gz YXNHROIUPIQUHO-NXHRZFHOSA-N 2 1 324.428 2.572 20 0 DFADMP C[C@@H]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000174514280 426259496 /nfs/dbraw/zinc/25/94/96/426259496.db2.gz MBBLXPVEYUQWOP-VQIMIIECSA-N 2 1 301.478 2.723 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000339215822 268777722 /nfs/dbraw/zinc/77/77/22/268777722.db2.gz MCBTXLKTXYESPT-HOTGVXAUSA-N 2 1 307.438 2.683 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119251941 426272833 /nfs/dbraw/zinc/27/28/33/426272833.db2.gz HKHQSYMSJARPNQ-JTDSTZFVSA-N 2 1 312.461 2.750 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000151340876 426290632 /nfs/dbraw/zinc/29/06/32/426290632.db2.gz MSSMKKPZUPJORV-NVXWUHKLSA-N 2 1 306.450 2.583 20 0 DFADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000120979047 426318260 /nfs/dbraw/zinc/31/82/60/426318260.db2.gz NHKLKGBBSGAJMY-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000120979047 426318263 /nfs/dbraw/zinc/31/82/63/426318263.db2.gz NHKLKGBBSGAJMY-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(OCCCOC)c2)[C@H](C)C1 ZINC000090718684 426330660 /nfs/dbraw/zinc/33/06/60/426330660.db2.gz ZUWLJUTXGMWZHV-APWZRJJASA-N 2 1 320.477 2.922 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090888416 426333834 /nfs/dbraw/zinc/33/38/34/426333834.db2.gz SLGMYTWHEOTQEK-VKJFTORMSA-N 2 1 320.477 2.955 20 0 DFADMP C[C@H]1C[N@H+](C2CCN(CCc3ccccc3F)CC2)CCO1 ZINC000121341154 426335557 /nfs/dbraw/zinc/33/55/57/426335557.db2.gz ULRMRZNELPJCEJ-HNNXBMFYSA-N 2 1 306.425 2.553 20 0 DFADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151253382 426286285 /nfs/dbraw/zinc/28/62/85/426286285.db2.gz BPPPVZQABJMZJL-DOXZYTNZSA-N 2 1 320.452 2.886 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000122836794 426397026 /nfs/dbraw/zinc/39/70/26/426397026.db2.gz XIKIBERRLJNAKM-CQSZACIVSA-N 2 1 318.461 2.851 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000122867926 426400741 /nfs/dbraw/zinc/40/07/41/426400741.db2.gz RMVNHBRUBZYWJN-HOCLYGCPSA-N 2 1 318.461 2.808 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000153755603 426404811 /nfs/dbraw/zinc/40/48/11/426404811.db2.gz ZIOPRMLATBFKBV-NSHDSACASA-N 2 1 304.356 2.723 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000153755603 426404814 /nfs/dbraw/zinc/40/48/14/426404814.db2.gz ZIOPRMLATBFKBV-NSHDSACASA-N 2 1 304.356 2.723 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000152564695 426347307 /nfs/dbraw/zinc/34/73/07/426347307.db2.gz VLUVVYSMZUSMLK-ROUUACIJSA-N 2 1 319.493 2.772 20 0 DFADMP CCCC[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000176038061 426347372 /nfs/dbraw/zinc/34/73/72/426347372.db2.gz TXTAFBCYRLVQKH-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP CCCC[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000176038075 426347443 /nfs/dbraw/zinc/34/74/43/426347443.db2.gz TXTAFBCYRLVQKH-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccnc2)CC1 ZINC000122100311 426358438 /nfs/dbraw/zinc/35/84/38/426358438.db2.gz ZUQJLXUDQRXKQY-UHFFFAOYSA-N 2 1 305.466 2.652 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(CC)c2)[C@@H](C)C1 ZINC000122298514 426368177 /nfs/dbraw/zinc/36/81/77/426368177.db2.gz IXTJNEKMXFEUPL-BQFCYCMXSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cnn(CC)c2)[C@@H](C)C1 ZINC000122298514 426368181 /nfs/dbraw/zinc/36/81/81/426368181.db2.gz IXTJNEKMXFEUPL-BQFCYCMXSA-N 2 1 322.497 2.691 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000153171835 426373839 /nfs/dbraw/zinc/37/38/39/426373839.db2.gz GDJOCBNUPABGLH-HOCLYGCPSA-N 2 1 320.477 2.911 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC1([NH3+])CCCCCC1)c1ccccc1 ZINC000122472820 426377172 /nfs/dbraw/zinc/37/71/72/426377172.db2.gz JBTWSGIHGRFHEB-QGZVFWFLSA-N 2 1 317.477 2.847 20 0 DFADMP Cc1nccc(N[C@H]2CC[N@H+](C)[C@@H]2c2ccc(F)c(F)c2)n1 ZINC000153431802 426385145 /nfs/dbraw/zinc/38/51/45/426385145.db2.gz LVASNXDESZZKMQ-GOEBONIOSA-N 2 1 304.344 2.921 20 0 DFADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153976201 426416095 /nfs/dbraw/zinc/41/60/95/426416095.db2.gz WAMNDGWNVZAGGB-OALUTQOASA-N 2 1 315.505 2.985 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000154040026 426421360 /nfs/dbraw/zinc/42/13/60/426421360.db2.gz MYGVVAODMQKQDI-HDICACEKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000154040026 426421361 /nfs/dbraw/zinc/42/13/61/426421361.db2.gz MYGVVAODMQKQDI-HDICACEKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)CC[N@@H+]1C ZINC000123671298 426447485 /nfs/dbraw/zinc/44/74/85/426447485.db2.gz OGVBYEKWWNZEHM-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC000123671298 426447488 /nfs/dbraw/zinc/44/74/88/426447488.db2.gz OGVBYEKWWNZEHM-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)CC[NH+]1C ZINC000123671298 426447491 /nfs/dbraw/zinc/44/74/91/426447491.db2.gz OGVBYEKWWNZEHM-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2)CC[NH+]1C ZINC000123671298 426447493 /nfs/dbraw/zinc/44/74/93/426447493.db2.gz OGVBYEKWWNZEHM-CZUORRHYSA-N 2 1 307.413 2.569 20 0 DFADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@H](O)C[NH+](C)C)cc1 ZINC000154252863 426432311 /nfs/dbraw/zinc/43/23/11/426432311.db2.gz VIFJOJSXZJWDDI-AEFFLSMTSA-N 2 1 308.466 2.685 20 0 DFADMP COC(=O)c1cc(F)ccc1CN(C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123402340 426432417 /nfs/dbraw/zinc/43/24/17/426432417.db2.gz GSHBNJIMVQQUNC-SWLSCSKDSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1cc(F)ccc1CN(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000123402837 426432442 /nfs/dbraw/zinc/43/24/42/426432442.db2.gz GSHBNJIMVQQUNC-WFASDCNBSA-N 2 1 308.397 2.527 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC000154527993 426443952 /nfs/dbraw/zinc/44/39/52/426443952.db2.gz RISJRWQETZROPO-INIZCTEOSA-N 2 1 307.457 2.894 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000154549354 426444943 /nfs/dbraw/zinc/44/49/43/426444943.db2.gz KTPAUOODHBDRTG-YESZJQIVSA-N 2 1 309.498 2.617 20 0 DFADMP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000123648415 426446407 /nfs/dbraw/zinc/44/64/07/426446407.db2.gz UKLKMWYIEQTXHD-KRWDZBQOSA-N 2 1 313.445 2.748 20 0 DFADMP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340976048 269031652 /nfs/dbraw/zinc/03/16/52/269031652.db2.gz JMNUEDGWKTYEOX-NVXWUHKLSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340976048 269031654 /nfs/dbraw/zinc/03/16/54/269031654.db2.gz JMNUEDGWKTYEOX-NVXWUHKLSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340976048 269031655 /nfs/dbraw/zinc/03/16/55/269031655.db2.gz JMNUEDGWKTYEOX-NVXWUHKLSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340976048 269031657 /nfs/dbraw/zinc/03/16/57/269031657.db2.gz JMNUEDGWKTYEOX-NVXWUHKLSA-N 2 1 323.868 2.543 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000341068937 269037915 /nfs/dbraw/zinc/03/79/15/269037915.db2.gz ZDKLSLWNFQGTPO-LPHOPBHVSA-N 2 1 304.478 2.992 20 0 DFADMP C[C@H]1C[C@H](NCc2c(C3CC3)nc3sccn23)CC[N@H+]1C ZINC000341273818 269057086 /nfs/dbraw/zinc/05/70/86/269057086.db2.gz XVORGDGTEIRTKT-WCQYABFASA-N 2 1 304.463 2.846 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2c(C3CC3)nc3sccn23)CCN1C ZINC000341273818 269057088 /nfs/dbraw/zinc/05/70/88/269057088.db2.gz XVORGDGTEIRTKT-WCQYABFASA-N 2 1 304.463 2.846 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000341332202 269071343 /nfs/dbraw/zinc/07/13/43/269071343.db2.gz SOUXREDPZMDGRQ-PLOWYNNNSA-N 2 1 302.462 2.646 20 0 DFADMP COCC[NH+]1CCC(N[C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000154838751 426457238 /nfs/dbraw/zinc/45/72/38/426457238.db2.gz RTSXSXKAYNIXDI-MRXNPFEDSA-N 2 1 306.450 2.994 20 0 DFADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177281557 426462672 /nfs/dbraw/zinc/46/26/72/426462672.db2.gz ZFMJTTDSCISORH-AWEZNQCLSA-N 2 1 313.486 2.706 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177281557 426462675 /nfs/dbraw/zinc/46/26/75/426462675.db2.gz ZFMJTTDSCISORH-AWEZNQCLSA-N 2 1 313.486 2.706 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000177295921 426465403 /nfs/dbraw/zinc/46/54/03/426465403.db2.gz FXXJKRICGPTTNN-HUUCEWRRSA-N 2 1 314.433 2.835 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000177298429 426465569 /nfs/dbraw/zinc/46/55/69/426465569.db2.gz GLCWEOAQRHFFAR-MRXNPFEDSA-N 2 1 319.493 2.619 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000177303387 426465936 /nfs/dbraw/zinc/46/59/36/426465936.db2.gz UCLOQSJPOQBCMS-UHFFFAOYSA-N 2 1 303.381 2.707 20 0 DFADMP c1sc(-c2ccccn2)nc1CNC[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124340985 426480705 /nfs/dbraw/zinc/48/07/05/426480705.db2.gz XUAWQUSTRKFPTB-ZDUSSCGKSA-N 2 1 314.458 2.779 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124382102 426482316 /nfs/dbraw/zinc/48/23/16/426482316.db2.gz FLLUTKAHYQCTBE-ZBFHGGJFSA-N 2 1 316.445 2.810 20 0 DFADMP Cc1noc(C)c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280344546 426554430 /nfs/dbraw/zinc/55/44/30/426554430.db2.gz HXFOWKYUTRXPKW-HDICACEKSA-N 2 1 311.429 2.855 20 0 DFADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000186171299 426491054 /nfs/dbraw/zinc/49/10/54/426491054.db2.gz CNFJOZYLWCJZST-KBPBESRZSA-N 2 1 324.490 2.908 20 0 DFADMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321295 426504922 /nfs/dbraw/zinc/50/49/22/426504922.db2.gz PHJNUMVRIASZEV-BVYOLEPJSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@H](N[C@@H]1C[C@H](C)[N@H+](C2CC2)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000186321295 426504927 /nfs/dbraw/zinc/50/49/27/426504927.db2.gz PHJNUMVRIASZEV-BVYOLEPJSA-N 2 1 301.478 2.893 20 0 DFADMP C[C@H](NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C(C)(C)C[NH+](C)C ZINC000178278494 426597443 /nfs/dbraw/zinc/59/74/43/426597443.db2.gz ZUKWTLKPHMMNBT-HOTGVXAUSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1noc([C@@H]2CCC[N@@H+](CCCc3cnccc3C)C2)n1 ZINC000288959851 426558175 /nfs/dbraw/zinc/55/81/75/426558175.db2.gz AWBSMKNXTKUJDG-MRXNPFEDSA-N 2 1 300.406 2.894 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H]([NH+]3CCCCC3)C2)c1C ZINC000264473821 426559545 /nfs/dbraw/zinc/55/95/45/426559545.db2.gz LXWLHTIXDLXNDX-INIZCTEOSA-N 2 1 303.450 2.767 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000186603186 426561091 /nfs/dbraw/zinc/56/10/91/426561091.db2.gz JHYSYMCGXVNPLN-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000186603186 426561095 /nfs/dbraw/zinc/56/10/95/426561095.db2.gz JHYSYMCGXVNPLN-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP CC(C)Oc1cccc([C@H](C)NC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289347378 426631716 /nfs/dbraw/zinc/63/17/16/426631716.db2.gz KFJILHJONLFWBQ-YOEHRIQHSA-N 2 1 306.450 2.580 20 0 DFADMP CC(C)Oc1cccc([C@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)c1 ZINC000289347378 426631721 /nfs/dbraw/zinc/63/17/21/426631721.db2.gz KFJILHJONLFWBQ-YOEHRIQHSA-N 2 1 306.450 2.580 20 0 DFADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000228722018 426634868 /nfs/dbraw/zinc/63/48/68/426634868.db2.gz VYMHJUQCADZBDG-QGZVFWFLSA-N 2 1 304.459 2.817 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(-c4cccs4)on3)C[C@@H]21 ZINC000230047727 426640956 /nfs/dbraw/zinc/64/09/56/426640956.db2.gz JKBFBIHOYAKJKK-FPMFFAJLSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(-c4cccs4)on3)C[C@@H]21 ZINC000230047727 426640962 /nfs/dbraw/zinc/64/09/62/426640962.db2.gz JKBFBIHOYAKJKK-FPMFFAJLSA-N 2 1 303.431 2.962 20 0 DFADMP CCC[N@@H+](CC1CC[NH2+]CC1)C[C@H]1COc2ccccc2O1 ZINC000236972099 426686462 /nfs/dbraw/zinc/68/64/62/426686462.db2.gz LBZYIANKOFYJOD-INIZCTEOSA-N 2 1 304.434 2.538 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1cnc2c(c1)c(C)nn2C ZINC000289388349 426642821 /nfs/dbraw/zinc/64/28/21/426642821.db2.gz DLKFJLXWLQREDS-UHFFFAOYSA-N 2 1 317.481 2.831 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1cnc2c(c1)c(C)nn2C ZINC000289388349 426642827 /nfs/dbraw/zinc/64/28/27/426642827.db2.gz DLKFJLXWLQREDS-UHFFFAOYSA-N 2 1 317.481 2.831 20 0 DFADMP Cc1ccc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)o1 ZINC000178615236 426663747 /nfs/dbraw/zinc/66/37/47/426663747.db2.gz GYYXTJZAQHDIFE-UHFFFAOYSA-N 2 1 300.406 2.753 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000280835222 426665240 /nfs/dbraw/zinc/66/52/40/426665240.db2.gz JZYLXRUUVQVSDQ-KGLIPLIRSA-N 2 1 317.433 2.991 20 0 DFADMP COCCC[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000178620339 426666286 /nfs/dbraw/zinc/66/62/86/426666286.db2.gz NCHZDSKSJVSJHL-MJGOQNOKSA-N 2 1 304.478 2.956 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000289472227 426666965 /nfs/dbraw/zinc/66/69/65/426666965.db2.gz HLJNLOABZMNGCF-ZWKOTPCHSA-N 2 1 304.478 2.788 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C(C)(C)c1ccccc1 ZINC000289472227 426666970 /nfs/dbraw/zinc/66/69/70/426666970.db2.gz HLJNLOABZMNGCF-ZWKOTPCHSA-N 2 1 304.478 2.788 20 0 DFADMP COC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000178716309 426680675 /nfs/dbraw/zinc/68/06/75/426680675.db2.gz YPTDHVBSZOZKGH-WBVHZDCISA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000178716309 426680678 /nfs/dbraw/zinc/68/06/78/426680678.db2.gz YPTDHVBSZOZKGH-WBVHZDCISA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178716309 426680682 /nfs/dbraw/zinc/68/06/82/426680682.db2.gz YPTDHVBSZOZKGH-WBVHZDCISA-N 2 1 304.434 2.534 20 0 DFADMP COC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000178716309 426680687 /nfs/dbraw/zinc/68/06/87/426680687.db2.gz YPTDHVBSZOZKGH-WBVHZDCISA-N 2 1 304.434 2.534 20 0 DFADMP C[N@@H+](C[C@H](O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301432 426623442 /nfs/dbraw/zinc/62/34/42/426623442.db2.gz CTXIRNSZAXHPDZ-SJORKVTESA-N 2 1 308.441 2.958 20 0 DFADMP CN(C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301432 426623447 /nfs/dbraw/zinc/62/34/47/426623447.db2.gz CTXIRNSZAXHPDZ-SJORKVTESA-N 2 1 308.441 2.958 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301432 426623453 /nfs/dbraw/zinc/62/34/53/426623453.db2.gz CTXIRNSZAXHPDZ-SJORKVTESA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301432 426623457 /nfs/dbraw/zinc/62/34/57/426623457.db2.gz CTXIRNSZAXHPDZ-SJORKVTESA-N 2 1 308.441 2.958 20 0 DFADMP C[C@@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000289303603 426623942 /nfs/dbraw/zinc/62/39/42/426623942.db2.gz CXNSPUPQBNPXMQ-ZWNOBZJWSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)CN(C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000289303603 426623943 /nfs/dbraw/zinc/62/39/43/426623943.db2.gz CXNSPUPQBNPXMQ-ZWNOBZJWSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H](NCCC[NH+]1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000178412641 426625021 /nfs/dbraw/zinc/62/50/21/426625021.db2.gz INYGLHUVOJKVJN-QGZVFWFLSA-N 2 1 319.493 2.764 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000265793159 426690039 /nfs/dbraw/zinc/69/00/39/426690039.db2.gz MQILUPKADCPBIL-MRXNPFEDSA-N 2 1 312.461 2.534 20 0 DFADMP CCSCC[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000273697288 426710188 /nfs/dbraw/zinc/71/01/88/426710188.db2.gz IUQKSEXRTABXIT-HNNXBMFYSA-N 2 1 308.491 2.750 20 0 DFADMP CCSCC[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000273697288 426710191 /nfs/dbraw/zinc/71/01/91/426710191.db2.gz IUQKSEXRTABXIT-HNNXBMFYSA-N 2 1 308.491 2.750 20 0 DFADMP CN(C)c1cc[nH+]cc1C(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000273585962 426692573 /nfs/dbraw/zinc/69/25/73/426692573.db2.gz IICJQALSHLPYED-UHFFFAOYSA-N 2 1 312.417 2.504 20 0 DFADMP c1cc2cc(C[N@@H+]3CC[C@H](CN4CCOCC4)C3)ccc2o1 ZINC000290142453 426700778 /nfs/dbraw/zinc/70/07/78/426700778.db2.gz VVESJRBAGABADG-MRXNPFEDSA-N 2 1 300.402 2.587 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2CCCOC2)C3)cc1 ZINC000245731104 426768675 /nfs/dbraw/zinc/76/86/75/426768675.db2.gz QEIXJLQUGJNOCV-OKYOBFRVSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000290478848 426772346 /nfs/dbraw/zinc/77/23/46/426772346.db2.gz XHZOJTKNXGSNGP-MAUKXSAKSA-N 2 1 301.478 2.851 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290494694 426777367 /nfs/dbraw/zinc/77/73/67/426777367.db2.gz OTGDUJUTXDXNAM-LPHOPBHVSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290494694 426777370 /nfs/dbraw/zinc/77/73/70/426777370.db2.gz OTGDUJUTXDXNAM-LPHOPBHVSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290494694 426777373 /nfs/dbraw/zinc/77/73/73/426777373.db2.gz OTGDUJUTXDXNAM-LPHOPBHVSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290494694 426777376 /nfs/dbraw/zinc/77/73/76/426777376.db2.gz OTGDUJUTXDXNAM-LPHOPBHVSA-N 2 1 320.477 2.622 20 0 DFADMP CCn1nc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000274504990 426782606 /nfs/dbraw/zinc/78/26/06/426782606.db2.gz SVJSLVVUAILAAY-CRAIPNDOSA-N 2 1 312.461 2.972 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000266872399 426787941 /nfs/dbraw/zinc/78/79/41/426787941.db2.gz QTFRMEYNTLWIFD-CZUORRHYSA-N 2 1 312.404 2.662 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000178959362 426726036 /nfs/dbraw/zinc/72/60/36/426726036.db2.gz HAGPKFKWKGNFEZ-YOFSQIOKSA-N 2 1 313.489 2.738 20 0 DFADMP Fc1ccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971699 426727825 /nfs/dbraw/zinc/72/78/25/426727825.db2.gz NMKFNMRRJKXJQS-MRXNPFEDSA-N 2 1 312.816 2.852 20 0 DFADMP Fc1ccc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)cc1Cl ZINC000178971699 426727830 /nfs/dbraw/zinc/72/78/30/426727830.db2.gz NMKFNMRRJKXJQS-MRXNPFEDSA-N 2 1 312.816 2.852 20 0 DFADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974307 426728087 /nfs/dbraw/zinc/72/80/87/426728087.db2.gz YLBCHJRFSUIGJN-UHFFFAOYSA-N 2 1 304.278 2.803 20 0 DFADMP C[C@@H]1CC[N@@H+](CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178982292 426729611 /nfs/dbraw/zinc/72/96/11/426729611.db2.gz XBUJKQFXWPSDFF-QGZVFWFLSA-N 2 1 301.478 2.582 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCCOC4)[C@H]3C2)cc1 ZINC000290288737 426732432 /nfs/dbraw/zinc/73/24/32/426732432.db2.gz MQVDOLPGWFWASM-ZSYWTGECSA-N 2 1 300.446 2.666 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C2CC2)C2CCCC2)[C@@H](C)C1 ZINC000245413677 426738263 /nfs/dbraw/zinc/73/82/63/426738263.db2.gz BREKLYFXCSMIGE-YJBOKZPZSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(OC(C)(C)C)cc1 ZINC000274301796 426739332 /nfs/dbraw/zinc/73/93/32/426739332.db2.gz QPAGQAALWPOAAD-RDJZCZTQSA-N 2 1 320.477 2.971 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[N@@H+](C)CCCn1ccnc1 ZINC000290310131 426739365 /nfs/dbraw/zinc/73/93/65/426739365.db2.gz CBOKUMXBKPTXIO-UHFFFAOYSA-N 2 1 324.432 2.603 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316424 426741610 /nfs/dbraw/zinc/74/16/10/426741610.db2.gz COVHEWFCKYHVPX-BBRMVZONSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316424 426741613 /nfs/dbraw/zinc/74/16/13/426741613.db2.gz COVHEWFCKYHVPX-BBRMVZONSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316424 426741615 /nfs/dbraw/zinc/74/16/15/426741615.db2.gz COVHEWFCKYHVPX-BBRMVZONSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316424 426741617 /nfs/dbraw/zinc/74/16/17/426741617.db2.gz COVHEWFCKYHVPX-BBRMVZONSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328824 426742835 /nfs/dbraw/zinc/74/28/35/426742835.db2.gz DOSLKNHQFWMPRL-CRAIPNDOSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328824 426742840 /nfs/dbraw/zinc/74/28/40/426742840.db2.gz DOSLKNHQFWMPRL-CRAIPNDOSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328824 426742842 /nfs/dbraw/zinc/74/28/42/426742842.db2.gz DOSLKNHQFWMPRL-CRAIPNDOSA-N 2 1 302.462 2.826 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)CCCc1ccc2c(c1)CCO2 ZINC000290328824 426742847 /nfs/dbraw/zinc/74/28/47/426742847.db2.gz DOSLKNHQFWMPRL-CRAIPNDOSA-N 2 1 302.462 2.826 20 0 DFADMP CCCn1nc(C)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000290323606 426743472 /nfs/dbraw/zinc/74/34/72/426743472.db2.gz DEXKZLZFSKXURX-UHFFFAOYSA-N 2 1 303.454 2.937 20 0 DFADMP CCCn1nc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1C ZINC000290323606 426743475 /nfs/dbraw/zinc/74/34/75/426743475.db2.gz DEXKZLZFSKXURX-UHFFFAOYSA-N 2 1 303.454 2.937 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(O)c(OC)c1 ZINC000290336920 426744816 /nfs/dbraw/zinc/74/48/16/426744816.db2.gz FCLCTURDZBEDEJ-UHFFFAOYSA-N 2 1 310.438 2.573 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(O)c(OC)c1 ZINC000290336920 426744823 /nfs/dbraw/zinc/74/48/23/426744823.db2.gz FCLCTURDZBEDEJ-UHFFFAOYSA-N 2 1 310.438 2.573 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(Br)cn1 ZINC000290347006 426746804 /nfs/dbraw/zinc/74/68/04/426746804.db2.gz FVFOWIWZWVZUBX-UHFFFAOYSA-N 2 1 323.238 2.871 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(Br)cn1 ZINC000290347006 426746807 /nfs/dbraw/zinc/74/68/07/426746807.db2.gz FVFOWIWZWVZUBX-UHFFFAOYSA-N 2 1 323.238 2.871 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]c3nccnc23)CC1 ZINC000290375543 426751023 /nfs/dbraw/zinc/75/10/23/426751023.db2.gz IBNZJDJDYYVRKX-UHFFFAOYSA-N 2 1 315.465 2.902 20 0 DFADMP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)O2 ZINC000245565497 426752667 /nfs/dbraw/zinc/75/26/67/426752667.db2.gz PPKNLAVFZBJNNY-JIDYKHNASA-N 2 1 310.482 2.627 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)nc1 ZINC000179121388 426754449 /nfs/dbraw/zinc/75/44/49/426754449.db2.gz XTTMKHKGKHFNIN-CQSZACIVSA-N 2 1 324.900 2.659 20 0 DFADMP CC1CC[NH+](C[C@H]2CCCN(CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000245705175 426765666 /nfs/dbraw/zinc/76/56/66/426765666.db2.gz YIBRKOWHOUOLHQ-RBUKOAKNSA-N 2 1 307.526 2.915 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)o1 ZINC000290628882 426808331 /nfs/dbraw/zinc/80/83/31/426808331.db2.gz XUEALSNEKQMBTI-OAHLLOKOSA-N 2 1 320.433 2.620 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000274682596 426816656 /nfs/dbraw/zinc/81/66/56/426816656.db2.gz JXHYBTWDPFPAEZ-CQSZACIVSA-N 2 1 323.456 2.540 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000246358828 426822792 /nfs/dbraw/zinc/82/27/92/426822792.db2.gz IHGZHAGVMNETSQ-MAUKXSAKSA-N 2 1 320.477 2.956 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000246454672 426834265 /nfs/dbraw/zinc/83/42/65/426834265.db2.gz PKNLMTQTHUPQPB-LJISPDSOSA-N 2 1 313.486 2.608 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000274790022 426838061 /nfs/dbraw/zinc/83/80/61/426838061.db2.gz NRMGJRXSAGHVKP-LRDDRELGSA-N 2 1 314.832 2.786 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CCC[NH+](C)C1 ZINC000274790022 426838062 /nfs/dbraw/zinc/83/80/62/426838062.db2.gz NRMGJRXSAGHVKP-LRDDRELGSA-N 2 1 314.832 2.786 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CCC[N@H+](C)C1 ZINC000274790022 426838067 /nfs/dbraw/zinc/83/80/67/426838067.db2.gz NRMGJRXSAGHVKP-LRDDRELGSA-N 2 1 314.832 2.786 20 0 DFADMP C[NH+](C[C@H](O)c1ccc(F)cc1Cl)C[C@H]1CCC[N@@H+](C)C1 ZINC000274790022 426838069 /nfs/dbraw/zinc/83/80/69/426838069.db2.gz NRMGJRXSAGHVKP-LRDDRELGSA-N 2 1 314.832 2.786 20 0 DFADMP CC(C)(C)OC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246545853 426843392 /nfs/dbraw/zinc/84/33/92/426843392.db2.gz KCYDMNDMBOWMHP-HOCLYGCPSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246545853 426843396 /nfs/dbraw/zinc/84/33/96/426843396.db2.gz KCYDMNDMBOWMHP-HOCLYGCPSA-N 2 1 308.466 2.667 20 0 DFADMP CC(C)(C)OC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246545853 426843401 /nfs/dbraw/zinc/84/34/01/426843401.db2.gz KCYDMNDMBOWMHP-HOCLYGCPSA-N 2 1 308.466 2.667 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000282203598 426851158 /nfs/dbraw/zinc/85/11/58/426851158.db2.gz GYFPKRUVTUXGKA-QGZVFWFLSA-N 2 1 321.896 2.943 20 0 DFADMP C[C@@H](NCC(C)(C)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274888843 426856329 /nfs/dbraw/zinc/85/63/29/426856329.db2.gz JAMFBFSMAYBCDZ-AEFFLSMTSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274888843 426856332 /nfs/dbraw/zinc/85/63/32/426856332.db2.gz JAMFBFSMAYBCDZ-AEFFLSMTSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274888843 426856336 /nfs/dbraw/zinc/85/63/36/426856336.db2.gz JAMFBFSMAYBCDZ-AEFFLSMTSA-N 2 1 303.494 2.827 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000179469978 426793729 /nfs/dbraw/zinc/79/37/29/426793729.db2.gz UHFHMSARYALNMS-CQSZACIVSA-N 2 1 324.469 2.817 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](C)CNC(=O)OC(C)(C)C ZINC000179469978 426793734 /nfs/dbraw/zinc/79/37/34/426793734.db2.gz UHFHMSARYALNMS-CQSZACIVSA-N 2 1 324.469 2.817 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563558 426793834 /nfs/dbraw/zinc/79/38/34/426793834.db2.gz SLZXGORMCGBFLE-RTBURBONSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563558 426793838 /nfs/dbraw/zinc/79/38/38/426793838.db2.gz SLZXGORMCGBFLE-RTBURBONSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563558 426793843 /nfs/dbraw/zinc/79/38/43/426793843.db2.gz SLZXGORMCGBFLE-RTBURBONSA-N 2 1 314.473 2.970 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000179512789 426797003 /nfs/dbraw/zinc/79/70/03/426797003.db2.gz IHCPVTUGHGWYPW-OAGGEKHMSA-N 2 1 306.450 2.782 20 0 DFADMP CC[N@H+]1CCC[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000337682903 426919861 /nfs/dbraw/zinc/91/98/61/426919861.db2.gz OBPOORWVAZSAPP-INIZCTEOSA-N 2 1 318.465 2.602 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cn1 ZINC000247253455 426921741 /nfs/dbraw/zinc/92/17/41/426921741.db2.gz ZVIDYTMUFFDBTN-HLLBOEOZSA-N 2 1 304.482 2.746 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cn1 ZINC000247253455 426921746 /nfs/dbraw/zinc/92/17/46/426921746.db2.gz ZVIDYTMUFFDBTN-HLLBOEOZSA-N 2 1 304.482 2.746 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(F)cc(Cl)c2)CC1(C)C ZINC000282260819 426864979 /nfs/dbraw/zinc/86/49/79/426864979.db2.gz HBFVYXMPBIFHME-UHFFFAOYSA-N 2 1 313.848 2.595 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000246797790 426867882 /nfs/dbraw/zinc/86/78/82/426867882.db2.gz ADQRUICJLJALLW-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282299009 426876821 /nfs/dbraw/zinc/87/68/21/426876821.db2.gz RIFJUYNSOHNPLB-UHFFFAOYSA-N 2 1 306.479 2.969 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000282299009 426876826 /nfs/dbraw/zinc/87/68/26/426876826.db2.gz RIFJUYNSOHNPLB-UHFFFAOYSA-N 2 1 306.479 2.969 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000189519048 426879475 /nfs/dbraw/zinc/87/94/75/426879475.db2.gz JTFUIEIKABOBRH-SCTDSRPQSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1CN(CC[NH+](C)Cc2ccccc2)CC[N@H+](C2CCC2)C1 ZINC000295259779 426881151 /nfs/dbraw/zinc/88/11/51/426881151.db2.gz XXRIULPZPLSGEU-GOSISDBHSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccc(F)cc1 ZINC000275648011 426885434 /nfs/dbraw/zinc/88/54/34/426885434.db2.gz BPPDLUGAJOMRON-OAHLLOKOSA-N 2 1 308.441 2.708 20 0 DFADMP C[C@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccc(F)cc1 ZINC000275648011 426885438 /nfs/dbraw/zinc/88/54/38/426885438.db2.gz BPPDLUGAJOMRON-OAHLLOKOSA-N 2 1 308.441 2.708 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2sccc2C1 ZINC000247000228 426887727 /nfs/dbraw/zinc/88/77/27/426887727.db2.gz LNBXDCRPFTYRJH-IJEWVQPXSA-N 2 1 307.507 2.567 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c[nH]c2nccnc12 ZINC000291471293 426891185 /nfs/dbraw/zinc/89/11/85/426891185.db2.gz DYBBEYPVDRAHLE-UHFFFAOYSA-N 2 1 312.421 2.629 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c[nH]c2nccnc12 ZINC000291471293 426891195 /nfs/dbraw/zinc/89/11/95/426891195.db2.gz DYBBEYPVDRAHLE-UHFFFAOYSA-N 2 1 312.421 2.629 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000275669037 426891966 /nfs/dbraw/zinc/89/19/66/426891966.db2.gz OWUSDHMSZZINGS-UHFFFAOYSA-N 2 1 320.481 2.644 20 0 DFADMP C[C@@H](CCCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305175979 426892173 /nfs/dbraw/zinc/89/21/73/426892173.db2.gz VHZLXHPSGTZRRB-HNNXBMFYSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000268034479 426895584 /nfs/dbraw/zinc/89/55/84/426895584.db2.gz NIXFXQWDUQCPCH-CQSZACIVSA-N 2 1 323.506 2.660 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282381787 426899236 /nfs/dbraw/zinc/89/92/36/426899236.db2.gz OKYJQNIKFKGKGR-SAPNQHFASA-N 2 1 301.478 2.706 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCOc3ccccc32)CC1(C)C ZINC000282397526 426901114 /nfs/dbraw/zinc/90/11/14/426901114.db2.gz RLPRQVFDTURJQF-QGZVFWFLSA-N 2 1 317.477 2.516 20 0 DFADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)s1 ZINC000275713137 426901334 /nfs/dbraw/zinc/90/13/34/426901334.db2.gz YLVCNKTUENJXAS-CYBMUJFWSA-N 2 1 304.463 2.890 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN(C)c2ccccc2F)[C@@H](C)C1 ZINC000247121031 426903537 /nfs/dbraw/zinc/90/35/37/426903537.db2.gz RDRDMIHIZAHOAB-DOTOQJQBSA-N 2 1 307.457 2.972 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1F ZINC000275733559 426909001 /nfs/dbraw/zinc/90/90/01/426909001.db2.gz PDEXSHFAEQLBCQ-ZBFHGGJFSA-N 2 1 308.441 2.896 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000282424044 426910026 /nfs/dbraw/zinc/91/00/26/426910026.db2.gz SUOCPVXOACBRRI-QGZVFWFLSA-N 2 1 303.494 2.980 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000317064270 426954314 /nfs/dbraw/zinc/95/43/14/426954314.db2.gz YRSNSZRSAYXDAA-KURKYZTESA-N 2 1 300.446 2.769 20 0 DFADMP CN(Cc1nccs1)[C@@H]1CC12CC[NH+](Cc1ccon1)CC2 ZINC000283310857 426993936 /nfs/dbraw/zinc/99/39/36/426993936.db2.gz XZQZOPDWUOACFB-CQSZACIVSA-N 2 1 318.446 2.618 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@H]32)CC1 ZINC000247685684 426958124 /nfs/dbraw/zinc/95/81/24/426958124.db2.gz UXKYFKVZZXUZCS-JFIYKMOQSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000317481985 426959612 /nfs/dbraw/zinc/95/96/12/426959612.db2.gz ZAZZMRGMTWZTPB-OFQRWUPVSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000317481985 426959621 /nfs/dbraw/zinc/95/96/21/426959621.db2.gz ZAZZMRGMTWZTPB-OFQRWUPVSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000320860358 426966746 /nfs/dbraw/zinc/96/67/46/426966746.db2.gz XZGSOVQBFHAFSR-NZSAHSFTSA-N 2 1 316.445 2.599 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000320860358 426966755 /nfs/dbraw/zinc/96/67/55/426966755.db2.gz XZGSOVQBFHAFSR-NZSAHSFTSA-N 2 1 316.445 2.599 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2cccc(F)c2)N(C)C)[C@@H](C)C1 ZINC000247967180 426972417 /nfs/dbraw/zinc/97/24/17/426972417.db2.gz IGRSHESXTVRDGE-JCGIZDLHSA-N 2 1 307.457 2.748 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321996092 426972524 /nfs/dbraw/zinc/97/25/24/426972524.db2.gz LMYNRMJKKCVLFF-FSBGKCOPSA-N 2 1 308.385 2.652 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000248049251 426975575 /nfs/dbraw/zinc/97/55/75/426975575.db2.gz VVWAOTHNHAUGER-YESZJQIVSA-N 2 1 305.466 2.736 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccc(C(C)(C)O)cc1 ZINC000295506808 426985465 /nfs/dbraw/zinc/98/54/65/426985465.db2.gz SZXKRNBOIAKIKN-UHFFFAOYSA-N 2 1 301.434 2.989 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000337825593 426987518 /nfs/dbraw/zinc/98/75/18/426987518.db2.gz SQYXLLFWPFCFES-HNNXBMFYSA-N 2 1 321.431 2.723 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1C[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000337825593 426987528 /nfs/dbraw/zinc/98/75/28/426987528.db2.gz SQYXLLFWPFCFES-HNNXBMFYSA-N 2 1 321.431 2.723 20 0 DFADMP CN(Cc1ccccn1)[C@H]1CCC[N@@H+](Cc2cccn2C)CC1 ZINC000275894573 426941420 /nfs/dbraw/zinc/94/14/20/426941420.db2.gz ZUOIUHSFKAQBAO-SFHVURJKSA-N 2 1 312.461 2.907 20 0 DFADMP Cn1cccc1CN1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275894573 426941428 /nfs/dbraw/zinc/94/14/28/426941428.db2.gz ZUOIUHSFKAQBAO-SFHVURJKSA-N 2 1 312.461 2.907 20 0 DFADMP Cn1cccc1CN1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275894573 426941432 /nfs/dbraw/zinc/94/14/32/426941432.db2.gz ZUOIUHSFKAQBAO-SFHVURJKSA-N 2 1 312.461 2.907 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000316198877 426945334 /nfs/dbraw/zinc/94/53/34/426945334.db2.gz PEYLDEWWXWFIFF-JKSUJKDBSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000316198877 426945341 /nfs/dbraw/zinc/94/53/41/426945341.db2.gz PEYLDEWWXWFIFF-JKSUJKDBSA-N 2 1 304.434 2.538 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000275910753 426945619 /nfs/dbraw/zinc/94/56/19/426945619.db2.gz UMBVLNWWBNSIAU-SFHVURJKSA-N 2 1 324.432 2.513 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000329166440 427057209 /nfs/dbraw/zinc/05/72/09/427057209.db2.gz HZZWUVXBBKZTEU-SGMGOOAPSA-N 2 1 303.406 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000329166440 427057219 /nfs/dbraw/zinc/05/72/19/427057219.db2.gz HZZWUVXBBKZTEU-SGMGOOAPSA-N 2 1 303.406 2.800 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(Br)cn1 ZINC000337955284 427058479 /nfs/dbraw/zinc/05/84/79/427058479.db2.gz ZRSFDFINLGEWSM-UHFFFAOYSA-N 2 1 309.211 2.529 20 0 DFADMP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000248904374 427060225 /nfs/dbraw/zinc/06/02/25/427060225.db2.gz ZQZULLMBFGRZCN-CABCVRRESA-N 2 1 303.450 2.984 20 0 DFADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248420519 426997983 /nfs/dbraw/zinc/99/79/83/426997983.db2.gz XCVPNHCBSZQBKS-AKHDSKFASA-N 2 1 302.462 2.912 20 0 DFADMP Cn1cc[nH+]c1N1CCN(Cc2ccc(F)c(Cl)c2)CC1 ZINC000276225395 427010850 /nfs/dbraw/zinc/01/08/50/427010850.db2.gz MMPMHAOMYNCBLB-UHFFFAOYSA-N 2 1 308.788 2.535 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248597813 427019943 /nfs/dbraw/zinc/01/99/43/427019943.db2.gz UEKCUZNVJXIUKL-OALUTQOASA-N 2 1 304.478 2.644 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248836681 427051270 /nfs/dbraw/zinc/05/12/70/427051270.db2.gz DEHNEPPIGZXATQ-XYJFISCASA-N 2 1 317.477 2.625 20 0 DFADMP O[C@@H](CCc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182403726 427072363 /nfs/dbraw/zinc/07/23/63/427072363.db2.gz HUNBBFRCSNMKGC-PMACEKPBSA-N 2 1 316.489 2.930 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000248989133 427073775 /nfs/dbraw/zinc/07/37/75/427073775.db2.gz GWEUDVCNGZBADT-RDJZCZTQSA-N 2 1 302.462 2.874 20 0 DFADMP Cc1nn(C)cc1CNCc1c(Cl)cccc1-n1ccnc1 ZINC000296138210 427088943 /nfs/dbraw/zinc/08/89/43/427088943.db2.gz UXJYSZZSWIIPAR-UHFFFAOYSA-N 2 1 315.808 2.857 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)c(OC)c1 ZINC000338011522 427093296 /nfs/dbraw/zinc/09/32/96/427093296.db2.gz MGLOAJQXKWESIW-ZDUSSCGKSA-N 2 1 303.406 2.950 20 0 DFADMP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268708082 427095884 /nfs/dbraw/zinc/09/58/84/427095884.db2.gz CMOXYQXWPPUAME-PKOBYXMFSA-N 2 1 320.477 2.540 20 0 DFADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268708082 427095888 /nfs/dbraw/zinc/09/58/88/427095888.db2.gz CMOXYQXWPPUAME-PKOBYXMFSA-N 2 1 320.477 2.540 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338025254 427101518 /nfs/dbraw/zinc/10/15/18/427101518.db2.gz YHAWMVKWFFLAHR-LJQANCHMSA-N 2 1 321.428 2.945 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000249329620 427106307 /nfs/dbraw/zinc/10/63/07/427106307.db2.gz VXTUSAZGAZKAIE-CKEIUWERSA-N 2 1 300.450 2.663 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCC[C@H](C(F)(F)F)C1 ZINC000249393484 427111252 /nfs/dbraw/zinc/11/12/52/427111252.db2.gz SFJMHRBHZYFHCR-ZNMIVQPWSA-N 2 1 322.415 2.934 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1 ZINC000268780583 427113052 /nfs/dbraw/zinc/11/30/52/427113052.db2.gz BZWSAMMHNNSJMG-AWEZNQCLSA-N 2 1 312.417 2.669 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000268812745 427125630 /nfs/dbraw/zinc/12/56/30/427125630.db2.gz LNQUYTSEPUQMLW-CVEARBPZSA-N 2 1 317.477 2.675 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284233099 427160597 /nfs/dbraw/zinc/16/05/97/427160597.db2.gz DOVHZYPNWCZMBM-INIZCTEOSA-N 2 1 313.449 2.944 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc(C(C)(C)C)nc1 ZINC000284233099 427160604 /nfs/dbraw/zinc/16/06/04/427160604.db2.gz DOVHZYPNWCZMBM-INIZCTEOSA-N 2 1 313.449 2.944 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc(F)ncc2F)cc1 ZINC000296349995 427152583 /nfs/dbraw/zinc/15/25/83/427152583.db2.gz IYVXXKWEIUZUNV-UHFFFAOYSA-N 2 1 321.371 2.590 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158529041 271076764 /nfs/dbraw/zinc/07/67/64/271076764.db2.gz LWQYLQOBSVKJIO-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158529041 271076767 /nfs/dbraw/zinc/07/67/67/271076767.db2.gz LWQYLQOBSVKJIO-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158529041 271076769 /nfs/dbraw/zinc/07/67/69/271076769.db2.gz LWQYLQOBSVKJIO-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000163069474 271086638 /nfs/dbraw/zinc/08/66/38/271086638.db2.gz GHXINNDWRRVPML-MRXNPFEDSA-N 2 1 301.438 2.678 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000163069474 271086639 /nfs/dbraw/zinc/08/66/39/271086639.db2.gz GHXINNDWRRVPML-MRXNPFEDSA-N 2 1 301.438 2.678 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000174868304 271141275 /nfs/dbraw/zinc/14/12/75/271141275.db2.gz SPTVYPVPHPOIHJ-PBHICJAKSA-N 2 1 318.465 2.695 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000227714601 271238667 /nfs/dbraw/zinc/23/86/67/271238667.db2.gz UCLFYFKDEYITNL-GBJTYRQASA-N 2 1 313.486 2.608 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000237351671 271248099 /nfs/dbraw/zinc/24/80/99/271248099.db2.gz NLLQZVXSMJFDQH-BEFAXECRSA-N 2 1 315.461 2.999 20 0 DFADMP COc1cccc(C[NH2+]CCCN2CCc3ccccc3C2)n1 ZINC000190726337 427169558 /nfs/dbraw/zinc/16/95/58/427169558.db2.gz KWAYGMURRWSCMU-UHFFFAOYSA-N 2 1 311.429 2.628 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@](C)(O)c1ccccc1)Cc1ccco1 ZINC000285839667 271343440 /nfs/dbraw/zinc/34/34/40/271343440.db2.gz XGZWHJCSZORRDA-LJQANCHMSA-N 2 1 316.445 2.941 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)CC1 ZINC000277337827 427170289 /nfs/dbraw/zinc/17/02/89/427170289.db2.gz VYKXJDTYWNAYSZ-AWEZNQCLSA-N 2 1 307.413 2.570 20 0 DFADMP Cc1cnc([C@@H](C)[N@@H+]2CC[C@H](Oc3cccnc3N(C)C)C2)o1 ZINC000333458617 271375580 /nfs/dbraw/zinc/37/55/80/271375580.db2.gz UADFJHVWVMBAMY-KGLIPLIRSA-N 2 1 316.405 2.658 20 0 DFADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](Oc3cccnc3N(C)C)C2)o1 ZINC000333458617 271375584 /nfs/dbraw/zinc/37/55/84/271375584.db2.gz UADFJHVWVMBAMY-KGLIPLIRSA-N 2 1 316.405 2.658 20 0 DFADMP Cc1cnc([C@H](C)[N@@H+]2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 ZINC000333458618 271375884 /nfs/dbraw/zinc/37/58/84/271375884.db2.gz UADFJHVWVMBAMY-UONOGXRCSA-N 2 1 316.405 2.658 20 0 DFADMP Cc1cnc([C@H](C)[N@H+]2CC[C@@H](Oc3cccnc3N(C)C)C2)o1 ZINC000333458618 271375886 /nfs/dbraw/zinc/37/58/86/271375886.db2.gz UADFJHVWVMBAMY-UONOGXRCSA-N 2 1 316.405 2.658 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333810954 271391608 /nfs/dbraw/zinc/39/16/08/271391608.db2.gz JHRIFOXTFSUREL-JKSUJJTKSA-N 2 1 314.477 2.541 20 0 DFADMP c1cn(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000183173452 427216741 /nfs/dbraw/zinc/21/67/41/427216741.db2.gz JAPQYAFYLQNJRV-SFHVURJKSA-N 2 1 304.482 2.861 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000284287173 427173865 /nfs/dbraw/zinc/17/38/65/427173865.db2.gz HXMMEVHNVMCZBA-LMMKCTJWSA-N 2 1 318.461 2.989 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000284287173 427173870 /nfs/dbraw/zinc/17/38/70/427173870.db2.gz HXMMEVHNVMCZBA-LMMKCTJWSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2cn(C(C)(C)C)nn2)C1 ZINC000190772441 427178028 /nfs/dbraw/zinc/17/80/28/427178028.db2.gz KRHSCTZWDZDRKA-HNNXBMFYSA-N 2 1 307.486 2.635 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183052826 427191734 /nfs/dbraw/zinc/19/17/34/427191734.db2.gz YIDWBFWTBWPIEA-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000292894205 427204552 /nfs/dbraw/zinc/20/45/52/427204552.db2.gz ZABPZQFLLREPNW-QZTJIDSGSA-N 2 1 302.462 2.964 20 0 DFADMP C[C@@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142243 427211355 /nfs/dbraw/zinc/21/13/55/427211355.db2.gz SJVOZGCFDJLRJE-XGXHKWSGSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000277496768 427220868 /nfs/dbraw/zinc/22/08/68/427220868.db2.gz OMRZTFKVJGZVQT-CVEARBPZSA-N 2 1 317.477 2.805 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000183199713 427221132 /nfs/dbraw/zinc/22/11/32/427221132.db2.gz BSAUCOLVGGGOKL-QMTMVMCOSA-N 2 1 312.461 2.999 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000183199713 427221136 /nfs/dbraw/zinc/22/11/36/427221136.db2.gz BSAUCOLVGGGOKL-QMTMVMCOSA-N 2 1 312.461 2.999 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000338275422 427226842 /nfs/dbraw/zinc/22/68/42/427226842.db2.gz IQFHMHNJUYUAFK-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@@H]2CCC2CCCC2)CC1 ZINC000338275422 427226849 /nfs/dbraw/zinc/22/68/49/427226849.db2.gz IQFHMHNJUYUAFK-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000293174724 427233958 /nfs/dbraw/zinc/23/39/58/427233958.db2.gz WIDMSAFFRUKYHG-LJQANCHMSA-N 2 1 320.452 2.847 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCSC(C)C)[C@@H](C)C1 ZINC000338287229 427236107 /nfs/dbraw/zinc/23/61/07/427236107.db2.gz HLOUWIYDPPZCRY-JKSUJKDBSA-N 2 1 302.528 2.855 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000285463794 427240383 /nfs/dbraw/zinc/24/03/83/427240383.db2.gz NEZDAGHJRBEQJT-OAHLLOKOSA-N 2 1 318.490 2.792 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000285463794 427240387 /nfs/dbraw/zinc/24/03/87/427240387.db2.gz NEZDAGHJRBEQJT-OAHLLOKOSA-N 2 1 318.490 2.792 20 0 DFADMP CN(C[C@H](O)c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285479478 427244642 /nfs/dbraw/zinc/24/46/42/427244642.db2.gz LDIIHEKXBZFVLH-GYVWXKFASA-N 2 1 310.388 2.555 20 0 DFADMP C(CO[C@@H]1CCCCO1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000338317584 427254812 /nfs/dbraw/zinc/25/48/12/427254812.db2.gz NTKFVJFYIDOHOU-QZTJIDSGSA-N 2 1 310.482 2.870 20 0 DFADMP COc1ccc(C[NH2+]CCn2cc[nH+]c2C)c(Br)c1 ZINC000285534441 427262886 /nfs/dbraw/zinc/26/28/86/427262886.db2.gz SOYMBHIUBWXCTQ-UHFFFAOYSA-N 2 1 324.222 2.752 20 0 DFADMP COC(=O)c1cccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000285537511 427263072 /nfs/dbraw/zinc/26/30/72/427263072.db2.gz PQKKUTQLBFDGQZ-SJPCQFCGSA-N 2 1 302.418 2.530 20 0 DFADMP COC(=O)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000285537511 427263075 /nfs/dbraw/zinc/26/30/75/427263075.db2.gz PQKKUTQLBFDGQZ-SJPCQFCGSA-N 2 1 302.418 2.530 20 0 DFADMP COC(=O)c1cccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285537511 427263081 /nfs/dbraw/zinc/26/30/81/427263081.db2.gz PQKKUTQLBFDGQZ-SJPCQFCGSA-N 2 1 302.418 2.530 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338328381 427263529 /nfs/dbraw/zinc/26/35/29/427263529.db2.gz RSJFZJULJHHGEI-UXHICEINSA-N 2 1 316.489 2.887 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](CO)(c2ccccc2)C1 ZINC000338328381 427263536 /nfs/dbraw/zinc/26/35/36/427263536.db2.gz RSJFZJULJHHGEI-UXHICEINSA-N 2 1 316.489 2.887 20 0 DFADMP CCN(CC)C(=O)C1([NH2+]CCC[NH+](CC)CC)CCCCC1 ZINC000338278715 271536113 /nfs/dbraw/zinc/53/61/13/271536113.db2.gz OJGVJBIAZMHYPR-UHFFFAOYSA-N 2 1 311.514 2.879 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000338367552 427283371 /nfs/dbraw/zinc/28/33/71/427283371.db2.gz UICGCBOHBQJZNS-IBGZPJMESA-N 2 1 304.478 2.788 20 0 DFADMP CCNC(=O)[C@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285668040 427305302 /nfs/dbraw/zinc/30/53/02/427305302.db2.gz NEUKOQCLRZWDNC-ZLPCBKJTSA-N 2 1 317.477 2.544 20 0 DFADMP CN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261732902 427338051 /nfs/dbraw/zinc/33/80/51/427338051.db2.gz HJFCOGVKBXEFAR-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(c2ccccn2)CC1 ZINC000183795433 427341367 /nfs/dbraw/zinc/34/13/67/427341367.db2.gz YZDSOSNVCVAQIT-UHFFFAOYSA-N 2 1 313.449 2.579 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2ccccn2)CC1 ZINC000183795433 427341373 /nfs/dbraw/zinc/34/13/73/427341373.db2.gz YZDSOSNVCVAQIT-UHFFFAOYSA-N 2 1 313.449 2.579 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC[C@H]2CC[NH2+]C2)c1 ZINC000261906495 427343321 /nfs/dbraw/zinc/34/33/21/427343321.db2.gz VVCOKJJVKMNLMG-INIZCTEOSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1F ZINC000261883958 427343667 /nfs/dbraw/zinc/34/36/67/427343667.db2.gz FQPMSTVXKTWKAS-BMGDILEWSA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191406256 427344375 /nfs/dbraw/zinc/34/43/75/427344375.db2.gz OZATYWPWLOSHBP-UHFFFAOYSA-N 2 1 307.486 2.587 20 0 DFADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000262052766 427350488 /nfs/dbraw/zinc/35/04/88/427350488.db2.gz ZVTODQMFEBPQQT-ROUUACIJSA-N 2 1 306.425 2.977 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000269847976 427287846 /nfs/dbraw/zinc/28/78/46/427287846.db2.gz XJJOOZXSCCXSGL-OAHLLOKOSA-N 2 1 323.506 2.660 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000269847976 427287852 /nfs/dbraw/zinc/28/78/52/427287852.db2.gz XJJOOZXSCCXSGL-OAHLLOKOSA-N 2 1 323.506 2.660 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191228839 427291326 /nfs/dbraw/zinc/29/13/26/427291326.db2.gz RGPWIHWDWWMHSO-UHFFFAOYSA-N 2 1 321.513 2.977 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C(C)(C)C)nn2)CC1 ZINC000191228839 427291333 /nfs/dbraw/zinc/29/13/33/427291333.db2.gz RGPWIHWDWWMHSO-UHFFFAOYSA-N 2 1 321.513 2.977 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)cc1)C(C)C ZINC000262790944 427373338 /nfs/dbraw/zinc/37/33/38/427373338.db2.gz NELMYZKDARICBG-HZPDHXFCSA-N 2 1 317.477 2.739 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)C[NH3+])c1 ZINC000285951623 427384158 /nfs/dbraw/zinc/38/41/58/427384158.db2.gz GITSBRXNNQXIHP-HNNXBMFYSA-N 2 1 305.466 2.520 20 0 DFADMP CC[C@@H](c1ccncc1)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000191600875 427384207 /nfs/dbraw/zinc/38/42/07/427384207.db2.gz QEZCWENCEHHHMS-IBGZPJMESA-N 2 1 318.509 2.881 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000293623124 427384943 /nfs/dbraw/zinc/38/49/43/427384943.db2.gz FXHYGDOGDULFNV-KFKAGJAMSA-N 2 1 302.462 2.912 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](CC4CCC4)CC3)C2)cc1 ZINC000285999869 427397228 /nfs/dbraw/zinc/39/72/28/427397228.db2.gz OTGXONQUXJQIDU-HXUWFJFHSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1nn2c(C[NH+]3CCC(CC[NH+](C)C)CC3)c(C)nc2s1 ZINC000271134260 427413500 /nfs/dbraw/zinc/41/35/00/427413500.db2.gz LXANATUXMQUBPO-UHFFFAOYSA-N 2 1 321.494 2.571 20 0 DFADMP c1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(C[NH+]2CCCC2)c1 ZINC000297641313 427414558 /nfs/dbraw/zinc/41/45/58/427414558.db2.gz MQWUHGFIOKZXRE-UHFFFAOYSA-N 3 1 313.489 2.999 20 0 DFADMP c1cc(CNC2CC[NH+](C3CC3)CC2)cc(C[NH+]2CCCC2)c1 ZINC000297641313 427414567 /nfs/dbraw/zinc/41/45/67/427414567.db2.gz MQWUHGFIOKZXRE-UHFFFAOYSA-N 2 1 313.489 2.999 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H](C)[S@@]1=O ZINC000285861530 427357832 /nfs/dbraw/zinc/35/78/32/427357832.db2.gz INYYARYOPCUGLA-SRVWHDFXSA-N 2 1 317.458 2.604 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H](C)[S@@]1=O ZINC000285861530 427357834 /nfs/dbraw/zinc/35/78/34/427357834.db2.gz INYYARYOPCUGLA-SRVWHDFXSA-N 2 1 317.458 2.604 20 0 DFADMP CCc1ccc2[nH+]ccc(N[C@H](C)CN3CC[NH+](C)CC3)c2c1 ZINC000297224883 427365956 /nfs/dbraw/zinc/36/59/56/427365956.db2.gz SXOXIEPBKPWAQY-OAHLLOKOSA-N 2 1 312.461 2.845 20 0 DFADMP Cc1nn2c(CN(C)CC[C@H]3CCCC[N@H+]3C)c(C)nc2s1 ZINC000271201728 427447814 /nfs/dbraw/zinc/44/78/14/427447814.db2.gz PYRKNXVGXAFIPN-CQSZACIVSA-N 2 1 321.494 2.714 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1(C)C ZINC000286203244 427452577 /nfs/dbraw/zinc/45/25/77/427452577.db2.gz YBCUNDDPEGHCOX-SNAWJCMRSA-N 2 1 323.431 2.594 20 0 DFADMP Nc1ncccc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297833472 427462783 /nfs/dbraw/zinc/46/27/83/427462783.db2.gz ZWOXQPUFVIQYJD-UHFFFAOYSA-N 2 1 319.412 2.534 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ncccn1 ZINC000192143517 427488424 /nfs/dbraw/zinc/48/84/24/427488424.db2.gz IOYDACHCHQZRSD-UHFFFAOYSA-N 2 1 311.433 2.610 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN([C@@H]3CC[NH+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252644 427467925 /nfs/dbraw/zinc/46/79/25/427467925.db2.gz FWYBISBXNWNNKW-AQNXPRMDSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]2CN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252644 427467934 /nfs/dbraw/zinc/46/79/34/427467934.db2.gz FWYBISBXNWNNKW-AQNXPRMDSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]2CN([C@@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@@H]21 ZINC000271252644 427467944 /nfs/dbraw/zinc/46/79/44/427467944.db2.gz FWYBISBXNWNNKW-AQNXPRMDSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@H](CN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C[NH+](C)C ZINC000293863074 427469048 /nfs/dbraw/zinc/46/90/48/427469048.db2.gz XVFHAKFZQDITIZ-RSPOEFSDSA-N 2 1 315.505 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C[NH+](C)C ZINC000293863074 427469054 /nfs/dbraw/zinc/46/90/54/427469054.db2.gz XVFHAKFZQDITIZ-RSPOEFSDSA-N 3 1 315.505 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C[NH+](C)C ZINC000293863074 427469057 /nfs/dbraw/zinc/46/90/57/427469057.db2.gz XVFHAKFZQDITIZ-RSPOEFSDSA-N 3 1 315.505 2.684 20 0 DFADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1C[C@H]1c1ccccc1 ZINC000338783313 427485614 /nfs/dbraw/zinc/48/56/14/427485614.db2.gz VEHWNKMALRYCMZ-JQHSSLGASA-N 2 1 302.462 2.879 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCOC2)C3)cc1 ZINC000278157223 427420777 /nfs/dbraw/zinc/42/07/77/427420777.db2.gz BBSYUOVQJXLIJX-AKHDSKFASA-N 2 1 300.446 2.808 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000293754016 427426013 /nfs/dbraw/zinc/42/60/13/427426013.db2.gz QPFYLSAVAXFFFF-VNTMZGSJSA-N 2 1 314.473 2.912 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000263185995 427431365 /nfs/dbraw/zinc/43/13/65/427431365.db2.gz HHHSNKFXVUFTEJ-SUMDDJOVSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H](C[S@](C)=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286327678 427493269 /nfs/dbraw/zinc/49/32/69/427493269.db2.gz YHBXTONRHIULAN-FKSFLZPCSA-N 2 1 322.518 2.786 20 0 DFADMP C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278930752 427505971 /nfs/dbraw/zinc/50/59/71/427505971.db2.gz LERCVDCGDRRSTO-DSLXNQLJSA-N 2 1 302.462 2.648 20 0 DFADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4cncnc4)C3)CC2)cc1 ZINC000293985303 427513527 /nfs/dbraw/zinc/51/35/27/427513527.db2.gz ROTACGZBOPOYAZ-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000278955926 427514084 /nfs/dbraw/zinc/51/40/84/427514084.db2.gz LUZMGHTZEHUHMB-UONOGXRCSA-N 2 1 315.417 2.814 20 0 DFADMP C[C@H](CO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278980517 427521387 /nfs/dbraw/zinc/52/13/87/427521387.db2.gz PJPBJRBHFDTRAX-OQIJWPOYSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000279033737 427537269 /nfs/dbraw/zinc/53/72/69/427537269.db2.gz WLXLBZBYLKHDEZ-UONOGXRCSA-N 2 1 313.401 2.568 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000279032122 427537559 /nfs/dbraw/zinc/53/75/59/427537559.db2.gz WFCWEMBJDQICIS-ZIAGYGMSSA-N 2 1 315.417 2.814 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1ccc(-n2cccn2)cc1 ZINC000279040229 427539071 /nfs/dbraw/zinc/53/90/71/427539071.db2.gz XCICZOHOHSYTSU-JKSUJKDBSA-N 2 1 321.428 2.982 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000298224957 427540019 /nfs/dbraw/zinc/54/00/19/427540019.db2.gz ASNYUUYXBQXXBE-MRXNPFEDSA-N 2 1 313.489 2.650 20 0 DFADMP C[N@@H+](CCCNC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298245273 427546122 /nfs/dbraw/zinc/54/61/22/427546122.db2.gz CVURDQSUNHXBQA-UHFFFAOYSA-N 2 1 301.478 2.725 20 0 DFADMP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000279064353 427547560 /nfs/dbraw/zinc/54/75/60/427547560.db2.gz FNUNEXNHMWUOGO-LBPRGKRZSA-N 2 1 304.463 2.989 20 0 DFADMP c1cnn(Cc2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)c1 ZINC000298252559 427547544 /nfs/dbraw/zinc/54/75/44/427547544.db2.gz DNCXEOSTCVPCJB-UHFFFAOYSA-N 2 1 310.445 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1ccnn1C ZINC000192818422 427617376 /nfs/dbraw/zinc/61/73/76/427617376.db2.gz HMLRAJSZMNPPSQ-AEFFLSMTSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccnn1C ZINC000192818422 427617383 /nfs/dbraw/zinc/61/73/83/427617383.db2.gz HMLRAJSZMNPPSQ-AEFFLSMTSA-N 2 1 312.461 2.635 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000271485624 427557473 /nfs/dbraw/zinc/55/74/73/427557473.db2.gz IXCKUQXTLDNIEC-HOTGVXAUSA-N 2 1 303.450 2.542 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000271508448 427563981 /nfs/dbraw/zinc/56/39/81/427563981.db2.gz OKDAETBTRUAMDB-JJRVBVJISA-N 2 1 319.449 2.726 20 0 DFADMP C[C@H](O)CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000279152021 427576804 /nfs/dbraw/zinc/57/68/04/427576804.db2.gz SUDBMAKMYOLBOF-JCHJZTRSSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CCCn3cc[nH+]c3C)c(C)n2n1 ZINC000271544050 427577143 /nfs/dbraw/zinc/57/71/43/427577143.db2.gz ZKKAMQVJKAUSPH-CYBMUJFWSA-N 2 1 312.421 2.592 20 0 DFADMP CCc1oc(C[NH2+]CCCCn2cc[nH+]c2C)cc1C(=O)OC ZINC000338945299 427577579 /nfs/dbraw/zinc/57/75/79/427577579.db2.gz VRVRBLGQDAAYFH-UHFFFAOYSA-N 2 1 319.405 2.704 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)CC[N@@H+]1C ZINC000271546010 427579614 /nfs/dbraw/zinc/57/96/14/427579614.db2.gz RJSLTCLOGLTXLA-VXGBXAGGSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2cccc(C(F)(F)F)n2)CC[N@H+]1C ZINC000271546010 427579624 /nfs/dbraw/zinc/57/96/24/427579624.db2.gz RJSLTCLOGLTXLA-VXGBXAGGSA-N 2 1 317.355 2.552 20 0 DFADMP CC[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000271652718 427580660 /nfs/dbraw/zinc/58/06/60/427580660.db2.gz IMTLVHGBLIRRND-HZPDHXFCSA-N 2 1 304.434 2.983 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1 ZINC000271822376 427589056 /nfs/dbraw/zinc/58/90/56/427589056.db2.gz CQGMCBBLKCRANI-OAHLLOKOSA-N 2 1 304.434 2.624 20 0 DFADMP CC(C)[N@@H+](C)CCCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000298439752 427608981 /nfs/dbraw/zinc/60/89/81/427608981.db2.gz OZSWBOPLKKZQBM-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000185337858 427637542 /nfs/dbraw/zinc/63/75/42/427637542.db2.gz VLDLYAAWAPAYCT-INIZCTEOSA-N 2 1 309.498 2.666 20 0 DFADMP CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccnc1 ZINC000185352823 427639345 /nfs/dbraw/zinc/63/93/45/427639345.db2.gz CFRWONVAXRYZFD-IBGZPJMESA-N 2 1 318.509 2.786 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(NC(=O)OC)c2)[C@H](C)C1 ZINC000287565504 427640421 /nfs/dbraw/zinc/64/04/21/427640421.db2.gz QIQMXCBGOGRUHL-CJNGLKHVSA-N 2 1 305.422 2.685 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583827 427647325 /nfs/dbraw/zinc/64/73/25/427647325.db2.gz CIVPLJVWLVJFDW-QZTJIDSGSA-N 2 1 303.450 2.547 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583827 427647335 /nfs/dbraw/zinc/64/73/35/427647335.db2.gz CIVPLJVWLVJFDW-QZTJIDSGSA-N 2 1 303.450 2.547 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](OCc2ccncc2)C1 ZINC000287583827 427647339 /nfs/dbraw/zinc/64/73/39/427647339.db2.gz CIVPLJVWLVJFDW-QZTJIDSGSA-N 2 1 303.450 2.547 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[NH+]2CC)c1 ZINC000264102162 427656894 /nfs/dbraw/zinc/65/68/94/427656894.db2.gz NDPBUOAVQJBCJC-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC000264102162 427656901 /nfs/dbraw/zinc/65/69/01/427656901.db2.gz NDPBUOAVQJBCJC-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC000264102162 427656903 /nfs/dbraw/zinc/65/69/03/427656903.db2.gz NDPBUOAVQJBCJC-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193053386 427657426 /nfs/dbraw/zinc/65/74/26/427657426.db2.gz WVGZNXLXNGDRHK-ALOPSCKCSA-N 2 1 318.461 2.851 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272164031 427658670 /nfs/dbraw/zinc/65/86/70/427658670.db2.gz GHBOMBZGYASNMM-UHOSZYNNSA-N 2 1 302.462 2.913 20 0 DFADMP C[NH+](C/C=C\C[N@@H+](C)CC[C@@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342583611 272027995 /nfs/dbraw/zinc/02/79/95/272027995.db2.gz ICZKVKTWPIGBTB-OOUWWJCLSA-N 2 1 310.482 2.544 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(O)cc(F)c2)[C@H](C)C1 ZINC000185538614 427670172 /nfs/dbraw/zinc/67/01/72/427670172.db2.gz WVCAZWWPCBBKOD-KDOFPFPSSA-N 2 1 324.440 2.758 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(O)cc(F)c2)[C@H](C)C1 ZINC000185538614 427670175 /nfs/dbraw/zinc/67/01/75/427670175.db2.gz WVCAZWWPCBBKOD-KDOFPFPSSA-N 2 1 324.440 2.758 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000343164548 272092459 /nfs/dbraw/zinc/09/24/59/272092459.db2.gz WHBZKXIFOXTAOJ-XLIONFOSSA-N 2 1 315.505 2.623 20 0 DFADMP Cc1c[nH+]ccc1N(C)CC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000343264854 272108212 /nfs/dbraw/zinc/10/82/12/272108212.db2.gz MMHMEORQACSJRM-UHFFFAOYSA-N 2 1 324.472 2.644 20 0 DFADMP c1ccc(SCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000343265530 272108799 /nfs/dbraw/zinc/10/87/99/272108799.db2.gz DFEMTOZZOZTRRH-KSZLIROESA-N 2 1 320.502 2.916 20 0 DFADMP CO[C@H]1C[C@@H](CN(C)c2cc(C)[nH+]c3ccc(F)cc32)[N@@H+](C)C1 ZINC000343300280 272115170 /nfs/dbraw/zinc/11/51/70/272115170.db2.gz DXFFVQHLQIFZQA-GJZGRUSLSA-N 2 1 317.408 2.838 20 0 DFADMP CCOc1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)ccc1O ZINC000298685038 427676895 /nfs/dbraw/zinc/67/68/95/427676895.db2.gz HBQYVYVNTKHWAN-UHFFFAOYSA-N 2 1 304.434 2.755 20 0 DFADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[N@H+](CC)C[C@@H]2C)c1 ZINC000343557944 272169899 /nfs/dbraw/zinc/16/98/99/272169899.db2.gz GOESZZDYEPTGDX-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(CN[C@H]2C[N@@H+](CC)C[C@@H]2C)c1 ZINC000343557944 272169902 /nfs/dbraw/zinc/16/99/02/272169902.db2.gz GOESZZDYEPTGDX-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)n2c1 ZINC000343642139 272191843 /nfs/dbraw/zinc/19/18/43/272191843.db2.gz YNFHSFUIWQQKGQ-KBPBESRZSA-N 2 1 304.825 2.704 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)n2c1 ZINC000343642139 272191845 /nfs/dbraw/zinc/19/18/45/272191845.db2.gz YNFHSFUIWQQKGQ-KBPBESRZSA-N 2 1 304.825 2.704 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000343733408 272209643 /nfs/dbraw/zinc/20/96/43/272209643.db2.gz JSIKHAXRMFIZMD-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891613 272232847 /nfs/dbraw/zinc/23/28/47/272232847.db2.gz YVSKKWSJOIWMFQ-GPMSIDNRSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891613 272232850 /nfs/dbraw/zinc/23/28/50/272232850.db2.gz YVSKKWSJOIWMFQ-GPMSIDNRSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@H](CCO)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295065475 427680202 /nfs/dbraw/zinc/68/02/02/427680202.db2.gz GVHDUBKZVHQRIV-INIZCTEOSA-N 2 1 322.468 2.831 20 0 DFADMP CC(C)(C)[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343937904 272240833 /nfs/dbraw/zinc/24/08/33/272240833.db2.gz KZQLWOVJTRKNCO-ICSRJNTNSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343937904 272240835 /nfs/dbraw/zinc/24/08/35/272240835.db2.gz KZQLWOVJTRKNCO-ICSRJNTNSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343937904 272240837 /nfs/dbraw/zinc/24/08/37/272240837.db2.gz KZQLWOVJTRKNCO-ICSRJNTNSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000343974007 272245749 /nfs/dbraw/zinc/24/57/49/272245749.db2.gz IDBDLSZYBLVYDA-YLJYHZDGSA-N 2 1 310.441 2.974 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000343974007 272245752 /nfs/dbraw/zinc/24/57/52/272245752.db2.gz IDBDLSZYBLVYDA-YLJYHZDGSA-N 2 1 310.441 2.974 20 0 DFADMP CN(CCC[N@@H+](C)[C@H]1CCCc2ccccc21)CC[NH+](C)C ZINC000344009687 272249324 /nfs/dbraw/zinc/24/93/24/272249324.db2.gz BJXMMDMSISAOKH-IBGZPJMESA-N 2 1 303.494 2.879 20 0 DFADMP COc1cccc(Cl)c1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000344084070 272259322 /nfs/dbraw/zinc/25/93/22/272259322.db2.gz ASIBXBLGVWHVQL-GFCCVEGCSA-N 2 1 305.809 2.897 20 0 DFADMP C[N@@H+](CCCNC1C[C@H]2CC[C@@H](C1)[NH+]2C)Cc1ccccc1 ZINC000193202695 427677654 /nfs/dbraw/zinc/67/76/54/427677654.db2.gz OTVRZBIJJQPFBS-YQQQUEKLSA-N 2 1 301.478 2.723 20 0 DFADMP C[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)Cc1ccccc1 ZINC000193202695 427677658 /nfs/dbraw/zinc/67/76/58/427677658.db2.gz OTVRZBIJJQPFBS-YQQQUEKLSA-N 2 1 301.478 2.723 20 0 DFADMP C[NH+](CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000193202695 427677662 /nfs/dbraw/zinc/67/76/62/427677662.db2.gz OTVRZBIJJQPFBS-YQQQUEKLSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000344165473 272277887 /nfs/dbraw/zinc/27/78/87/272277887.db2.gz ZGPVXWWRIOLJCT-BZUAXINKSA-N 2 1 321.465 2.509 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)[C@@H]3CCCOC3)sc2C1 ZINC000344350327 272318545 /nfs/dbraw/zinc/31/85/45/272318545.db2.gz ICTBADOFGKQQRS-ZIAGYGMSSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)[C@@H]3CCCOC3)sc2C1 ZINC000344350327 272318546 /nfs/dbraw/zinc/31/85/46/272318546.db2.gz ICTBADOFGKQQRS-ZIAGYGMSSA-N 2 1 323.506 2.814 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2scnc2C)[C@H](C)C1 ZINC000344373197 272323689 /nfs/dbraw/zinc/32/36/89/272323689.db2.gz KCGNWEKAXJMHOV-UKRRQHHQSA-N 2 1 311.495 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2scnc2C)[C@H](C)C1 ZINC000344373197 272323691 /nfs/dbraw/zinc/32/36/91/272323691.db2.gz KCGNWEKAXJMHOV-UKRRQHHQSA-N 2 1 311.495 2.678 20 0 DFADMP O[C@]1(C[NH2+]C2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344551404 272336725 /nfs/dbraw/zinc/33/67/25/272336725.db2.gz RHUOGZUUIYNBPO-IBGZPJMESA-N 2 1 302.462 2.936 20 0 DFADMP O[C@]1(C[NH2+]C2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344551404 272336726 /nfs/dbraw/zinc/33/67/26/272336726.db2.gz RHUOGZUUIYNBPO-IBGZPJMESA-N 2 1 302.462 2.936 20 0 DFADMP COC[C@@H]1CCCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000344882846 272381065 /nfs/dbraw/zinc/38/10/65/272381065.db2.gz ANRWZFQWHMXIMK-MRXNPFEDSA-N 2 1 314.433 2.824 20 0 DFADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000279841727 427722899 /nfs/dbraw/zinc/72/28/99/427722899.db2.gz ZXDVDCKDDJSDQC-QRQLOZEOSA-N 2 1 320.477 2.589 20 0 DFADMP C[N@@H+]1C[C@H]2CN(Cc3ncc(-c4cccc(Cl)c4)o3)C[C@H]2C1 ZINC000193641840 427702247 /nfs/dbraw/zinc/70/22/47/427702247.db2.gz SVOLTERKKVZRAI-OKILXGFUSA-N 2 1 317.820 2.988 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCOC3)CC2)cc1 ZINC000336861638 427764897 /nfs/dbraw/zinc/76/48/97/427764897.db2.gz DHHOVXRXKVAMKW-GOSISDBHSA-N 2 1 302.462 2.710 20 0 DFADMP CO[C@H]1CC[N@H+](CCCCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000339407576 427768684 /nfs/dbraw/zinc/76/86/84/427768684.db2.gz PMIDMAXYMCPAIK-WMZOPIPTSA-N 2 1 306.450 2.674 20 0 DFADMP CO[C@H]1CC[N@@H+](CCCCCOc2ccccc2)[C@H](C[NH3+])C1 ZINC000339407576 427768686 /nfs/dbraw/zinc/76/86/86/427768686.db2.gz PMIDMAXYMCPAIK-WMZOPIPTSA-N 2 1 306.450 2.674 20 0 DFADMP OC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000336876930 427770489 /nfs/dbraw/zinc/77/04/89/427770489.db2.gz WJFLFFZRAIOTRC-ICSRJNTNSA-N 2 1 316.489 2.834 20 0 DFADMP CC(=O)c1ccccc1OCCN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000339432918 427773768 /nfs/dbraw/zinc/77/37/68/427773768.db2.gz FRYZVRNHUSKDJK-LJQANCHMSA-N 2 1 316.445 2.686 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339433047 427774435 /nfs/dbraw/zinc/77/44/35/427774435.db2.gz IENBYKCNKRWVIT-APWZRJJASA-N 2 1 315.461 2.740 20 0 DFADMP Cc1cc(NCCCN2C[C@@H](C)O[C@@H](C)C2)nc(C(C)C)n1 ZINC000301098818 427775226 /nfs/dbraw/zinc/77/52/26/427775226.db2.gz WXWJESVADDOWQF-GASCZTMLSA-N 2 1 306.454 2.820 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194056397 427729227 /nfs/dbraw/zinc/72/92/27/427729227.db2.gz GLPLAFYKPZIJHY-IXDOHACOSA-N 2 1 303.450 2.909 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)(C)O ZINC000339543684 427790356 /nfs/dbraw/zinc/79/03/56/427790356.db2.gz QQAPVSWQAZDTIO-GOSISDBHSA-N 2 1 304.478 2.833 20 0 DFADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(CSC(F)F)o3)C[C@H]2C1 ZINC000194543253 427746747 /nfs/dbraw/zinc/74/67/47/427746747.db2.gz AYWDZIOUURVLKK-PHIMTYICSA-N 2 1 302.390 2.729 20 0 DFADMP COCC[N@@H+](CCCOc1ccc(F)cc1)CC1CC[NH2+]CC1 ZINC000337078286 427796137 /nfs/dbraw/zinc/79/61/37/427796137.db2.gz SKQYDNPFCTWXLL-UHFFFAOYSA-N 2 1 324.440 2.543 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2Cc3ccccc3[C@H]2C)CC1 ZINC000337249704 427824062 /nfs/dbraw/zinc/82/40/62/427824062.db2.gz LZUDMKCPDMPWLD-QGZVFWFLSA-N 2 1 301.478 2.979 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2c(ccc(C)c2C)[nH]1 ZINC000349657496 427837805 /nfs/dbraw/zinc/83/78/05/427837805.db2.gz WDGNWRZPMYPTCP-UHFFFAOYSA-N 2 1 303.450 2.843 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CCSC1CCCCC1 ZINC000337315900 427842165 /nfs/dbraw/zinc/84/21/65/427842165.db2.gz KEUWZVRXOLBCEP-UHFFFAOYSA-N 2 1 313.555 2.622 20 0 DFADMP CCOc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1OCC(C)C ZINC000359479109 427870308 /nfs/dbraw/zinc/87/03/08/427870308.db2.gz XTWMZMGBDBAFRX-IRXDYDNUSA-N 2 1 318.461 2.771 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+])C1CCCCC1 ZINC000345713860 427874371 /nfs/dbraw/zinc/87/43/71/427874371.db2.gz LHXJLQFTFJULOJ-WMZOPIPTSA-N 2 1 309.498 2.665 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+] ZINC000345726988 427878044 /nfs/dbraw/zinc/87/80/44/427878044.db2.gz ZEDOKCQDJIEDGR-SOLBZPMBSA-N 2 1 309.498 2.665 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC(C)C ZINC000345730923 427880204 /nfs/dbraw/zinc/88/02/04/427880204.db2.gz ZZRSWHCJGCJRAP-IXDOHACOSA-N 2 1 311.514 2.732 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000302868856 427883923 /nfs/dbraw/zinc/88/39/23/427883923.db2.gz QICDRMIQKABHAS-UFYCRDLUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000302868856 427883928 /nfs/dbraw/zinc/88/39/28/427883928.db2.gz QICDRMIQKABHAS-UFYCRDLUSA-N 2 1 313.489 2.867 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409601 427891730 /nfs/dbraw/zinc/89/17/30/427891730.db2.gz WHJBSJKCTIYADP-HZPDHXFCSA-N 2 1 320.477 2.875 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000345775766 427902313 /nfs/dbraw/zinc/90/23/13/427902313.db2.gz JENALPSPENXELU-XMTFNYHQSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@@H+](CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1)C1CC1 ZINC000345815703 427918167 /nfs/dbraw/zinc/91/81/67/427918167.db2.gz WXLLWOYMRLXRAB-UHFFFAOYSA-N 2 1 321.509 2.728 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000337351927 427859943 /nfs/dbraw/zinc/85/99/43/427859943.db2.gz XJJOOZXSCCXSGL-HNNXBMFYSA-N 2 1 323.506 2.660 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)c1sccc1C[NH+](C)C ZINC000337351927 427859946 /nfs/dbraw/zinc/85/99/46/427859946.db2.gz XJJOOZXSCCXSGL-HNNXBMFYSA-N 2 1 323.506 2.660 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccncc4)s3)C[C@H]21 ZINC000346813357 272688297 /nfs/dbraw/zinc/68/82/97/272688297.db2.gz AVWYNGGVYYWVPB-FVQBIDKESA-N 2 1 314.458 2.764 20 0 DFADMP Cc1nn(C)c(C)c1CN[C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340216876 427956482 /nfs/dbraw/zinc/95/64/82/427956482.db2.gz FEZVJQXTKADEAE-MJGOQNOKSA-N 2 1 312.461 2.962 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCn3ccnc3C2)C[C@@H]1c1ccccc1 ZINC000340354921 427995501 /nfs/dbraw/zinc/99/55/01/427995501.db2.gz DYGYKNJYBKEUFX-OKZBNKHCSA-N 2 1 310.445 2.623 20 0 DFADMP OCC[N@H+](Cc1ccc(Cl)c(Cl)c1)CC1CC[NH2+]CC1 ZINC000346966241 272704596 /nfs/dbraw/zinc/70/45/96/272704596.db2.gz DKBWZRHUKUXWQZ-UHFFFAOYSA-N 2 1 317.260 2.787 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCn3ccnc3C2)C[C@@H]1c1ccccc1 ZINC000340354921 427995505 /nfs/dbraw/zinc/99/55/05/427995505.db2.gz DYGYKNJYBKEUFX-OKZBNKHCSA-N 2 1 310.445 2.623 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337599529 427976026 /nfs/dbraw/zinc/97/60/26/427976026.db2.gz MYYAOARHSQXFEJ-HYVNUMGLSA-N 2 1 316.445 2.953 20 0 DFADMP CC(C)[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCCCC1 ZINC000341047741 427979636 /nfs/dbraw/zinc/97/96/36/427979636.db2.gz BSQAQDFDUVNETL-FGTMMUONSA-N 2 1 323.525 2.876 20 0 DFADMP OCC1CCC([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000346014694 427986490 /nfs/dbraw/zinc/98/64/90/427986490.db2.gz KQIYACGVLDVWPC-UHFFFAOYSA-N 2 1 302.462 2.792 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000340353135 427996150 /nfs/dbraw/zinc/99/61/50/427996150.db2.gz YUECMLOAYXJVHZ-MAUKXSAKSA-N 2 1 320.477 2.546 20 0 DFADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340351172 427993882 /nfs/dbraw/zinc/99/38/82/427993882.db2.gz BLJNWVDHUWDJAA-FCGDIQPGSA-N 2 1 318.461 2.606 20 0 DFADMP CCO[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340351172 427993886 /nfs/dbraw/zinc/99/38/86/427993886.db2.gz BLJNWVDHUWDJAA-FCGDIQPGSA-N 2 1 318.461 2.606 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2cncn2C)CC1)CC1CC1 ZINC000355903735 427941458 /nfs/dbraw/zinc/94/14/58/427941458.db2.gz VJHDBGFPYGDRGB-UHFFFAOYSA-N 2 1 304.482 2.754 20 0 DFADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340181202 427946723 /nfs/dbraw/zinc/94/67/23/427946723.db2.gz MWKLCNHYTLPIFA-OALUTQOASA-N 2 1 301.478 2.896 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)Nc1cc[nH+]c(N(C)C)c1 ZINC000359646988 427951879 /nfs/dbraw/zinc/95/18/79/427951879.db2.gz KYPAYFPJLKBCIL-UHFFFAOYSA-N 2 1 306.454 2.988 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000359806279 428024477 /nfs/dbraw/zinc/02/44/77/428024477.db2.gz LWIKWUCXEIXFHC-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000359806279 428024481 /nfs/dbraw/zinc/02/44/81/428024481.db2.gz LWIKWUCXEIXFHC-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000359806279 428024487 /nfs/dbraw/zinc/02/44/87/428024487.db2.gz LWIKWUCXEIXFHC-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CCCO1 ZINC000346131588 428030653 /nfs/dbraw/zinc/03/06/53/428030653.db2.gz KLOZUABWIGBHKH-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000341332800 428033352 /nfs/dbraw/zinc/03/33/52/428033352.db2.gz WQWQQQFGEFSQTB-JKSUJKDBSA-N 2 1 322.468 2.924 20 0 DFADMP Cc1cccc2ncc(C[N@H+](C)C[C@H]3CCc4[nH+]ccn4C3)n21 ZINC000376969723 428033527 /nfs/dbraw/zinc/03/35/27/428033527.db2.gz XAZVNERVLDSALH-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1cccc2ncc(C[N@@H+](C)C[C@H]3CCc4[nH+]ccn4C3)n21 ZINC000376969723 428033531 /nfs/dbraw/zinc/03/35/31/428033531.db2.gz XAZVNERVLDSALH-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359845952 428043209 /nfs/dbraw/zinc/04/32/09/428043209.db2.gz CJILJGOQTIMTJZ-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000347532552 272799341 /nfs/dbraw/zinc/79/93/41/272799341.db2.gz UMRYHTHBJZSJNR-CVEARBPZSA-N 2 1 311.514 2.781 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCCO1 ZINC000341372759 428049632 /nfs/dbraw/zinc/04/96/32/428049632.db2.gz OGOSNCCSKRNWAN-FCGDIQPGSA-N 2 1 324.509 2.672 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)CCCO1 ZINC000341372759 428049636 /nfs/dbraw/zinc/04/96/36/428049636.db2.gz OGOSNCCSKRNWAN-FCGDIQPGSA-N 2 1 324.509 2.672 20 0 DFADMP C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000359884533 428059939 /nfs/dbraw/zinc/05/99/39/428059939.db2.gz YMVVXGFJUPMEGB-YCPHGPKFSA-N 2 1 314.433 2.740 20 0 DFADMP C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000359884533 428059945 /nfs/dbraw/zinc/05/99/45/428059945.db2.gz YMVVXGFJUPMEGB-YCPHGPKFSA-N 2 1 314.433 2.740 20 0 DFADMP COc1cc2[nH+]ccc(N3C[C@H](C)[N@@H+](C)C[C@@H]3C)c2cc1OC ZINC000413221358 427996626 /nfs/dbraw/zinc/99/66/26/427996626.db2.gz SZLKNLSHTPLFOI-STQMWFEESA-N 2 1 315.417 2.781 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[C@H]1c1ccccc1 ZINC000340360105 427999426 /nfs/dbraw/zinc/99/94/26/427999426.db2.gz YJNHEYSQPKXPBZ-LULLPPNCSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[C@H]1c1ccccc1 ZINC000340360105 427999429 /nfs/dbraw/zinc/99/94/29/427999429.db2.gz YJNHEYSQPKXPBZ-LULLPPNCSA-N 2 1 302.462 2.963 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cccc4nccn43)C2)c1 ZINC000376832623 428008279 /nfs/dbraw/zinc/00/82/79/428008279.db2.gz OBUQFPZEPJIWNO-MRXNPFEDSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cccc4nccn43)C2)c1 ZINC000376832623 428008287 /nfs/dbraw/zinc/00/82/87/428008287.db2.gz OBUQFPZEPJIWNO-MRXNPFEDSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000369610279 428016473 /nfs/dbraw/zinc/01/64/73/428016473.db2.gz ZSBWTHWNKFZYDZ-PVAVHDDUSA-N 2 1 315.465 2.877 20 0 DFADMP CC[C@@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000346101061 428020102 /nfs/dbraw/zinc/02/01/02/428020102.db2.gz SIKIWVQSWFJHGM-WMZOPIPTSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000346101058 428020174 /nfs/dbraw/zinc/02/01/74/428020174.db2.gz SIKIWVQSWFJHGM-FUHWJXTLSA-N 2 1 319.493 2.744 20 0 DFADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346213121 428073347 /nfs/dbraw/zinc/07/33/47/428073347.db2.gz JADOCCWFCPCIPQ-DLBZAZTESA-N 2 1 311.514 2.543 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(-c3nccn3C)c2)[C@@H](C)C1 ZINC000369840310 428073802 /nfs/dbraw/zinc/07/38/02/428073802.db2.gz KWNRETHZIYWRBT-YJBOKZPZSA-N 2 1 312.461 2.907 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC(OCC[NH+](C)C)CC2)s1 ZINC000346215585 428073928 /nfs/dbraw/zinc/07/39/28/428073928.db2.gz KNGUIGXZXLVWEX-UHFFFAOYSA-N 2 1 311.495 2.809 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC(C)(C)[C@H]2[C@H]2CCCO2)s1 ZINC000356232675 428080430 /nfs/dbraw/zinc/08/04/30/428080430.db2.gz AGAQXEQEOIKRLJ-UKRRQHHQSA-N 2 1 309.479 2.594 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000369883660 428083533 /nfs/dbraw/zinc/08/35/33/428083533.db2.gz UJTXVUZENBXIPD-JSGCOSHPSA-N 2 1 301.390 2.566 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356286536 428104742 /nfs/dbraw/zinc/10/47/42/428104742.db2.gz SRJGZAFWISWCBH-JQHSSLGASA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861183 428112905 /nfs/dbraw/zinc/11/29/05/428112905.db2.gz JIQZJLVSXPWYML-NEPJUHHUSA-N 2 1 302.340 2.753 20 0 DFADMP COCc1cc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000360011967 428116504 /nfs/dbraw/zinc/11/65/04/428116504.db2.gz ABSXSGURAQHHFY-CZUORRHYSA-N 2 1 315.417 2.704 20 0 DFADMP CC[C@H](c1ccccc1OC)N(C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351967403 428118034 /nfs/dbraw/zinc/11/80/34/428118034.db2.gz LIEGNXWVCIIDIB-NVXWUHKLSA-N 2 1 306.450 2.533 20 0 DFADMP COc1cccc(C[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000360016030 428118425 /nfs/dbraw/zinc/11/84/25/428118425.db2.gz MFPAOBFGAPGLOU-FUHWJXTLSA-N 2 1 311.429 2.817 20 0 DFADMP COc1cccc(C[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C2CC2)c1 ZINC000360016031 428118435 /nfs/dbraw/zinc/11/84/35/428118435.db2.gz MFPAOBFGAPGLOU-SJLPKXTDSA-N 2 1 311.429 2.817 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(-n2ccnc2)cc1 ZINC000360018818 428119222 /nfs/dbraw/zinc/11/92/22/428119222.db2.gz QTWIWTFNKWXCNS-GOEBONIOSA-N 2 1 307.401 2.734 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360027286 428122235 /nfs/dbraw/zinc/12/22/35/428122235.db2.gz HDMWQPFZTDEJSS-DAWZGUTISA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@H]1C ZINC000413498446 428063502 /nfs/dbraw/zinc/06/35/02/428063502.db2.gz MQSHEVLJXJAPET-MTSZKFMLSA-N 2 1 309.498 2.579 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC000352534264 428137874 /nfs/dbraw/zinc/13/78/74/428137874.db2.gz DWRLACCVTFNXHB-OAHLLOKOSA-N 2 1 319.840 2.624 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC000352534264 428137881 /nfs/dbraw/zinc/13/78/81/428137881.db2.gz DWRLACCVTFNXHB-OAHLLOKOSA-N 2 1 319.840 2.624 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352535724 428138357 /nfs/dbraw/zinc/13/83/57/428138357.db2.gz UUJOSGUQFYDUOY-MRXNPFEDSA-N 2 1 302.447 2.714 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352535724 428138362 /nfs/dbraw/zinc/13/83/62/428138362.db2.gz UUJOSGUQFYDUOY-MRXNPFEDSA-N 2 1 302.447 2.714 20 0 DFADMP CC1(C)Cc2cccc(C[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2O1 ZINC000352535873 428138619 /nfs/dbraw/zinc/13/86/19/428138619.db2.gz WPUFFUKQRWNEKP-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2O1 ZINC000352535873 428138623 /nfs/dbraw/zinc/13/86/23/428138623.db2.gz WPUFFUKQRWNEKP-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352535998 428139978 /nfs/dbraw/zinc/13/99/78/428139978.db2.gz YFVXHNOXLVGUDO-LJQANCHMSA-N 2 1 310.445 2.961 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352535998 428139982 /nfs/dbraw/zinc/13/99/82/428139982.db2.gz YFVXHNOXLVGUDO-LJQANCHMSA-N 2 1 310.445 2.961 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352540390 428143020 /nfs/dbraw/zinc/14/30/20/428143020.db2.gz KOLLHXQHQXFYKF-UHFFFAOYSA-N 2 1 304.434 2.814 20 0 DFADMP Cc1nn(C)c2ncc(C[N@@H+](CCC[NH3+])CC3CCCC3)cc12 ZINC000352546077 428144068 /nfs/dbraw/zinc/14/40/68/428144068.db2.gz PBIMSCAMFCDVRS-UHFFFAOYSA-N 2 1 315.465 2.618 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCCSC3)sc2C1 ZINC000346368370 428144694 /nfs/dbraw/zinc/14/46/94/428144694.db2.gz XTOUILGWGYUYAR-GFCCVEGCSA-N 2 1 311.520 2.895 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCCSC3)sc2C1 ZINC000346368370 428144699 /nfs/dbraw/zinc/14/46/99/428144699.db2.gz XTOUILGWGYUYAR-GFCCVEGCSA-N 2 1 311.520 2.895 20 0 DFADMP CC(C)CCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370160094 428146386 /nfs/dbraw/zinc/14/63/86/428146386.db2.gz FODIYWQVMLDTER-UKRRQHHQSA-N 2 1 308.495 2.901 20 0 DFADMP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1ccc(F)cn1 ZINC000352553686 428146724 /nfs/dbraw/zinc/14/67/24/428146724.db2.gz DBVAODIUWHJSOA-KRWDZBQOSA-N 2 1 322.472 2.679 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377644371 428182779 /nfs/dbraw/zinc/18/27/79/428182779.db2.gz FGSZVWPSODMKPG-WMLDXEAASA-N 2 1 317.408 2.558 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377644371 428182785 /nfs/dbraw/zinc/18/27/85/428182785.db2.gz FGSZVWPSODMKPG-WMLDXEAASA-N 2 1 317.408 2.558 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CCC[C@H]1C ZINC000346424612 428167496 /nfs/dbraw/zinc/16/74/96/428167496.db2.gz DLQHUPQAPSZNEY-KZNAEPCWSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377603163 428167560 /nfs/dbraw/zinc/16/75/60/428167560.db2.gz GCSUXVOUQCDZJI-UHFFFAOYSA-N 2 1 313.401 2.845 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC2(C1)Oc1ccccc1O2 ZINC000377603163 428167566 /nfs/dbraw/zinc/16/75/66/428167566.db2.gz GCSUXVOUQCDZJI-UHFFFAOYSA-N 2 1 313.401 2.845 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCSC2)[C@@H](C)C1 ZINC000352633520 428176722 /nfs/dbraw/zinc/17/67/22/428176722.db2.gz OXYWOUFXTWPSHG-JYJNAYRXSA-N 2 1 300.512 2.609 20 0 DFADMP CC(C)[C@@](C)(O)C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000370304873 428180058 /nfs/dbraw/zinc/18/00/58/428180058.db2.gz CNEWUTFQMHBAKV-YJBOKZPZSA-N 2 1 305.466 2.806 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c(C)c1 ZINC000414127347 428213614 /nfs/dbraw/zinc/21/36/14/428213614.db2.gz SCWMQJJAENVVEK-DLBZAZTESA-N 2 1 320.477 2.891 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2c[nH]c3c2cccc3C)CC1 ZINC000360236480 428217027 /nfs/dbraw/zinc/21/70/27/428217027.db2.gz BQBGDPYQWDSTTO-UHFFFAOYSA-N 2 1 315.461 2.719 20 0 DFADMP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000360241654 428220283 /nfs/dbraw/zinc/22/02/83/428220283.db2.gz KHRYOCXTBKQTFN-HUUCEWRRSA-N 2 1 308.491 2.906 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccc2)c2ccncn2)C1 ZINC000414169062 428223014 /nfs/dbraw/zinc/22/30/14/428223014.db2.gz AWVHEDMXIYPDHJ-APWZRJJASA-N 2 1 310.445 2.888 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000414174238 428224976 /nfs/dbraw/zinc/22/49/76/428224976.db2.gz GMDKDHQLLYCEKL-LPHOPBHVSA-N 2 1 310.445 2.888 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000414180670 428227527 /nfs/dbraw/zinc/22/75/27/428227527.db2.gz LQSRKRPAJMBMNA-HOTGVXAUSA-N 2 1 317.477 2.771 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203566 428232379 /nfs/dbraw/zinc/23/23/79/428232379.db2.gz ZMAHWBZBQSELPU-CZUORRHYSA-N 2 1 319.424 2.921 20 0 DFADMP Cc1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000341872974 428235794 /nfs/dbraw/zinc/23/57/94/428235794.db2.gz QGGQJUPIPXRYNM-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)c1 ZINC000341872974 428235801 /nfs/dbraw/zinc/23/58/01/428235801.db2.gz QGGQJUPIPXRYNM-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP CC[NH+]1CCC([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC1 ZINC000341873690 428237222 /nfs/dbraw/zinc/23/72/22/428237222.db2.gz AKSPVLNRAHLZCK-UHFFFAOYSA-N 2 1 317.355 2.553 20 0 DFADMP CCc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000346609898 428238352 /nfs/dbraw/zinc/23/83/52/428238352.db2.gz KKGDZSUUMPDXDN-KRWDZBQOSA-N 2 1 315.505 2.849 20 0 DFADMP C[NH+](C)Cc1cnc(CNC2CC[NH+](C(C)(C)C)CC2)s1 ZINC000352769686 428240049 /nfs/dbraw/zinc/24/00/49/428240049.db2.gz ITFGPZBLFHIBNQ-UHFFFAOYSA-N 2 1 310.511 2.557 20 0 DFADMP C[N@H+](Cc1nc(-c2ccccc2)no1)C[C@@H]1CCn2ccnc2C1 ZINC000377687571 428194800 /nfs/dbraw/zinc/19/48/00/428194800.db2.gz UZHOABMLQCHXKD-CQSZACIVSA-N 2 1 323.400 2.628 20 0 DFADMP C[N@H+](Cc1nc(-c2ccccc2)no1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377687571 428194809 /nfs/dbraw/zinc/19/48/09/428194809.db2.gz UZHOABMLQCHXKD-CQSZACIVSA-N 2 1 323.400 2.628 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377698811 428199750 /nfs/dbraw/zinc/19/97/50/428199750.db2.gz MQCQFEINJZJHLV-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000377698811 428199753 /nfs/dbraw/zinc/19/97/53/428199753.db2.gz MQCQFEINJZJHLV-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CCOCC1 ZINC000414079350 428200722 /nfs/dbraw/zinc/20/07/22/428200722.db2.gz BZVIJADZQHPZOL-HUUCEWRRSA-N 2 1 312.498 2.669 20 0 DFADMP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000414341726 428263281 /nfs/dbraw/zinc/26/32/81/428263281.db2.gz LMXLQVPUMPDEDT-VYDXJSESSA-N 2 1 309.498 2.532 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000346663618 428263413 /nfs/dbraw/zinc/26/34/13/428263413.db2.gz BZAPDFAULDJQDK-JQWIXIFHSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000346663618 428263420 /nfs/dbraw/zinc/26/34/20/428263420.db2.gz BZAPDFAULDJQDK-JQWIXIFHSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000370651702 428263651 /nfs/dbraw/zinc/26/36/51/428263651.db2.gz BXDSEHVVEJKDRM-YTQUADARSA-N 2 1 302.462 2.913 20 0 DFADMP Cn1cncc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000370653837 428264912 /nfs/dbraw/zinc/26/49/12/428264912.db2.gz ZYMVFRXSJHJQRQ-UHFFFAOYSA-N 3 1 324.472 2.908 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)C(C)(C)C ZINC000370659438 428265062 /nfs/dbraw/zinc/26/50/62/428265062.db2.gz COUWAKITCQAUGU-QBPKDAKJSA-N 2 1 312.498 2.527 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346668528 428265718 /nfs/dbraw/zinc/26/57/18/428265718.db2.gz IUEFNZCKCYHOLQ-FUHWJXTLSA-N 2 1 303.494 2.814 20 0 DFADMP C[C@@H](CC1CC1)[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370662082 428267834 /nfs/dbraw/zinc/26/78/34/428267834.db2.gz IRHUIBMXNKPDDQ-INIZCTEOSA-N 3 1 307.526 2.961 20 0 DFADMP O=C(N[C@H]1CCC[N@H+](C2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC000377947368 428269305 /nfs/dbraw/zinc/26/93/05/428269305.db2.gz FSMSGAKLQQEVBM-INIZCTEOSA-N 2 1 319.493 2.528 20 0 DFADMP COc1sc(C[N@H+](C)CC(C)(C)C[NH3+])cc1Br ZINC000346685553 428273692 /nfs/dbraw/zinc/27/36/92/428273692.db2.gz SWMUVYIXQRPLCB-UHFFFAOYSA-N 2 1 321.284 2.936 20 0 DFADMP COc1sc(C[N@@H+](C)CC(C)(C)C[NH3+])cc1Br ZINC000346685553 428273695 /nfs/dbraw/zinc/27/36/95/428273695.db2.gz SWMUVYIXQRPLCB-UHFFFAOYSA-N 2 1 321.284 2.936 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000346690195 428274284 /nfs/dbraw/zinc/27/42/84/428274284.db2.gz STVRSLHEIZACFA-KDOFPFPSSA-N 2 1 312.461 2.717 20 0 DFADMP CSc1cc2c(cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C)OCCO2 ZINC000346694934 428276429 /nfs/dbraw/zinc/27/64/29/428276429.db2.gz XKERHUQVKZPADZ-AWEZNQCLSA-N 2 1 324.490 2.985 20 0 DFADMP CSc1cc2c(cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C)OCCO2 ZINC000346694934 428276435 /nfs/dbraw/zinc/27/64/35/428276435.db2.gz XKERHUQVKZPADZ-AWEZNQCLSA-N 2 1 324.490 2.985 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000352851967 428278437 /nfs/dbraw/zinc/27/84/37/428278437.db2.gz JEVKJYRKBDJDRI-SZMVWBNQSA-N 2 1 321.509 2.511 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000352851967 428278440 /nfs/dbraw/zinc/27/84/40/428278440.db2.gz JEVKJYRKBDJDRI-SZMVWBNQSA-N 2 1 321.509 2.511 20 0 DFADMP CCc1ncc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414389716 428281783 /nfs/dbraw/zinc/28/17/83/428281783.db2.gz SIGWXWFLGYNUMU-SFHVURJKSA-N 2 1 324.472 2.993 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000370726048 428284959 /nfs/dbraw/zinc/28/49/59/428284959.db2.gz XXKJRMUQYWJNJH-INIZCTEOSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2nccn2C)C1 ZINC000370726048 428284962 /nfs/dbraw/zinc/28/49/62/428284962.db2.gz XXKJRMUQYWJNJH-INIZCTEOSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2nccn2C)C1 ZINC000370726048 428284968 /nfs/dbraw/zinc/28/49/68/428284968.db2.gz XXKJRMUQYWJNJH-INIZCTEOSA-N 3 1 301.438 2.585 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000356745306 428293005 /nfs/dbraw/zinc/29/30/05/428293005.db2.gz PWWMMDPWXCVZSG-INIZCTEOSA-N 2 1 319.493 2.987 20 0 DFADMP CC(C)N(C)c1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000377838600 428241695 /nfs/dbraw/zinc/24/16/95/428241695.db2.gz AJVYETARZCYTMA-ROUUACIJSA-N 2 1 316.493 2.842 20 0 DFADMP CCCC[NH+]1CCC(NCc2ncc(C[NH+](C)C)s2)CC1 ZINC000352777938 428241806 /nfs/dbraw/zinc/24/18/06/428241806.db2.gz DISPLOJXASJXEV-UHFFFAOYSA-N 2 1 310.511 2.559 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000341896651 428244746 /nfs/dbraw/zinc/24/47/46/428244746.db2.gz IWVIESAMNGSRHP-BFYDXBDKSA-N 2 1 306.450 2.530 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000341896651 428244750 /nfs/dbraw/zinc/24/47/50/428244750.db2.gz IWVIESAMNGSRHP-BFYDXBDKSA-N 2 1 306.450 2.530 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@@H]2CCC[C@@H]21 ZINC000370583276 428245488 /nfs/dbraw/zinc/24/54/88/428245488.db2.gz IVRFQTHUKAYLHF-KKUMJFAQSA-N 2 1 309.841 2.576 20 0 DFADMP Cc1csc2c1C[N@@H+](CCCN1CC[NH+](C(C)C)CC1)CC2 ZINC000370583583 428245681 /nfs/dbraw/zinc/24/56/81/428245681.db2.gz KOTKGAGIQIGNAC-UHFFFAOYSA-N 2 1 321.534 2.831 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)[C@H](C)C1 ZINC000414261506 428246122 /nfs/dbraw/zinc/24/61/22/428246122.db2.gz GZBQNWKTTPWNTJ-WKULXVSPSA-N 2 1 312.498 2.527 20 0 DFADMP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370612698 428251525 /nfs/dbraw/zinc/25/15/25/428251525.db2.gz PVTNCUBCMZZVLK-RCCFBDPRSA-N 2 1 312.498 2.672 20 0 DFADMP COCCSCCC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370609950 428251559 /nfs/dbraw/zinc/25/15/59/428251559.db2.gz GWNCUKQASUKNAV-MRXNPFEDSA-N 2 1 323.506 2.894 20 0 DFADMP COCCSCCC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370609950 428251567 /nfs/dbraw/zinc/25/15/67/428251567.db2.gz GWNCUKQASUKNAV-MRXNPFEDSA-N 2 1 323.506 2.894 20 0 DFADMP CCc1nc(NC2CC[NH+](CC3CCCC3)CC2)cc(C)[nH+]1 ZINC000341923616 428251647 /nfs/dbraw/zinc/25/16/47/428251647.db2.gz ATQYLQDNCGEACG-UHFFFAOYSA-N 2 1 302.466 3.414 20 0 DFADMP CCCCOCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370612696 428251786 /nfs/dbraw/zinc/25/17/86/428251786.db2.gz PVTNCUBCMZZVLK-FGTMMUONSA-N 2 1 312.498 2.672 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnn(C(C)(C)C)c3)C2)CC1 ZINC000377886768 428256800 /nfs/dbraw/zinc/25/68/00/428256800.db2.gz AWACWJUCOMFXDW-KRWDZBQOSA-N 2 1 304.482 2.802 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414319142 428257429 /nfs/dbraw/zinc/25/74/29/428257429.db2.gz YQRIPKBMNYVLDR-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3cccc(F)c3)nc2C)C1 ZINC000414319142 428257432 /nfs/dbraw/zinc/25/74/32/428257432.db2.gz YQRIPKBMNYVLDR-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP CC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cccc(OC)c1 ZINC000360339424 428258024 /nfs/dbraw/zinc/25/80/24/428258024.db2.gz UHCDCSYPWNIDDR-SFHVURJKSA-N 2 1 306.450 2.583 20 0 DFADMP C[NH+](C)Cc1cnc(CNCc2cccc(C[NH+](C)C)c2)s1 ZINC000352812731 428258603 /nfs/dbraw/zinc/25/86/03/428258603.db2.gz HKDPSOBLXDNSOH-UHFFFAOYSA-N 2 1 318.490 2.556 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC000352916426 428311476 /nfs/dbraw/zinc/31/14/76/428311476.db2.gz STIPZFNOOZJIRN-UHFFFAOYSA-N 2 1 302.462 2.891 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000356809031 428314849 /nfs/dbraw/zinc/31/48/49/428314849.db2.gz AHADXRFUZIFFKJ-HXUWFJFHSA-N 2 1 315.505 2.987 20 0 DFADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000370909755 428317078 /nfs/dbraw/zinc/31/70/78/428317078.db2.gz VKOFDANSSPGWMW-QZWWFDLISA-N 2 1 321.509 2.723 20 0 DFADMP c1cc2c(c([C@H]3CCC[N@@H+]3C[C@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000346825095 428330768 /nfs/dbraw/zinc/33/07/68/428330768.db2.gz ANVQMNUYKQVDNU-GOEBONIOSA-N 2 1 302.418 2.594 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 ZINC000346827549 428333543 /nfs/dbraw/zinc/33/35/43/428333543.db2.gz SOAKCJRQDCHAEZ-UHOFOFEASA-N 2 1 316.836 2.899 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356842555 428333743 /nfs/dbraw/zinc/33/37/43/428333743.db2.gz KUFOUFTUJZEEQU-CQSZACIVSA-N 2 1 321.431 2.725 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(Cl)cc3)C[C@H]12 ZINC000346827552 428335644 /nfs/dbraw/zinc/33/56/44/428335644.db2.gz SOAKCJRQDCHAEZ-VBNZEHGJSA-N 2 1 316.836 2.899 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000346826746 428335745 /nfs/dbraw/zinc/33/57/45/428335745.db2.gz MNIFVNMOTYQVDD-SZMVWBNQSA-N 2 1 310.445 2.944 20 0 DFADMP CCOCc1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346844749 428341319 /nfs/dbraw/zinc/34/13/19/428341319.db2.gz JWHIPOSZAJCDDH-SZMVWBNQSA-N 2 1 318.461 2.791 20 0 DFADMP O=C(CC[N@H+]1CC[C@@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000360550272 428345140 /nfs/dbraw/zinc/34/51/40/428345140.db2.gz IIBHJSNCDFMMEG-HXUWFJFHSA-N 2 1 323.440 2.854 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000346851269 428345273 /nfs/dbraw/zinc/34/52/73/428345273.db2.gz VOUWFJUJISYCOX-KFKAGJAMSA-N 2 1 310.445 2.740 20 0 DFADMP CC(C)CSCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000378248766 428345328 /nfs/dbraw/zinc/34/53/28/428345328.db2.gz ZXGRQFAXQHESDA-GVDBMIGSSA-N 2 1 314.539 2.949 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H](CO)C3)sc2C1 ZINC000414569113 428348327 /nfs/dbraw/zinc/34/83/27/428348327.db2.gz IGKYWFWXJYKWLV-KGLIPLIRSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCC[C@@H](CO)C3)sc2C1 ZINC000414569113 428348331 /nfs/dbraw/zinc/34/83/31/428348331.db2.gz IGKYWFWXJYKWLV-KGLIPLIRSA-N 2 1 323.506 2.550 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)sc1Br ZINC000346857446 428348509 /nfs/dbraw/zinc/34/85/09/428348509.db2.gz QPORKVGDQXOEFU-MVWJERBFSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)sc1Br ZINC000346857446 428348511 /nfs/dbraw/zinc/34/85/11/428348511.db2.gz QPORKVGDQXOEFU-MVWJERBFSA-N 2 1 315.280 2.988 20 0 DFADMP C[N@H+](Cc1ccccc1OCC(F)(F)F)C1CC[NH2+]CC1 ZINC000347030652 428413907 /nfs/dbraw/zinc/41/39/07/428413907.db2.gz XMDDCQBJRIXJPD-UHFFFAOYSA-N 2 1 302.340 2.812 20 0 DFADMP C[N@@H+](Cc1ccccc1OCC(F)(F)F)C1CC[NH2+]CC1 ZINC000347030652 428413911 /nfs/dbraw/zinc/41/39/11/428413911.db2.gz XMDDCQBJRIXJPD-UHFFFAOYSA-N 2 1 302.340 2.812 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104503 428390273 /nfs/dbraw/zinc/39/02/73/428390273.db2.gz LDRTYEDBKVEKHW-JKSUJKDBSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357104503 428390275 /nfs/dbraw/zinc/39/02/75/428390275.db2.gz LDRTYEDBKVEKHW-JKSUJKDBSA-N 2 1 304.434 2.525 20 0 DFADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414745696 428392236 /nfs/dbraw/zinc/39/22/36/428392236.db2.gz RCXDJOFSXRPYBJ-RCCFBDPRSA-N 2 1 301.478 2.975 20 0 DFADMP COc1cc(C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C2CC2)ccc1O ZINC000414747716 428393558 /nfs/dbraw/zinc/39/35/58/428393558.db2.gz MXPPKNLJXLTRMT-HIFRSBDPSA-N 2 1 304.434 2.753 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000414768224 428397756 /nfs/dbraw/zinc/39/77/56/428397756.db2.gz HPJQDZUDBPTXPD-CVEARBPZSA-N 2 1 312.816 2.807 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414774041 428400690 /nfs/dbraw/zinc/40/06/90/428400690.db2.gz FCWZPWGANTXAHT-QZTJIDSGSA-N 2 1 310.445 2.694 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000360690264 428401413 /nfs/dbraw/zinc/40/14/13/428401413.db2.gz MVWRECGOQNZWQC-MAUKXSAKSA-N 2 1 321.534 2.890 20 0 DFADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1OCC ZINC000414774685 428401837 /nfs/dbraw/zinc/40/18/37/428401837.db2.gz YVQLHAYDRWDESC-CALCHBBNSA-N 2 1 318.461 2.915 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2coc3ccccc23)CC12CCOCC2 ZINC000414772868 428402087 /nfs/dbraw/zinc/40/20/87/428402087.db2.gz CQZGONHLCUEEIJ-OAHLLOKOSA-N 2 1 300.402 2.620 20 0 DFADMP FC(F)(F)c1ncc(C[N@@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414780795 428404099 /nfs/dbraw/zinc/40/40/99/428404099.db2.gz LYLVIJWFFYXJSH-WDEREUQCSA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1ncc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)s1 ZINC000414780795 428404106 /nfs/dbraw/zinc/40/41/06/428404106.db2.gz LYLVIJWFFYXJSH-WDEREUQCSA-N 2 1 319.396 2.983 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414779820 428404679 /nfs/dbraw/zinc/40/46/79/428404679.db2.gz KOIZDXCLRPKBBH-SJORKVTESA-N 2 1 318.461 2.533 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414779614 428404923 /nfs/dbraw/zinc/40/49/23/428404923.db2.gz KOIZDXCLRPKBBH-DLBZAZTESA-N 2 1 318.461 2.533 20 0 DFADMP CSCCC[N@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000371844243 428406074 /nfs/dbraw/zinc/40/60/74/428406074.db2.gz LFNIQSDAISUSSO-UHFFFAOYSA-N 2 1 308.495 2.747 20 0 DFADMP CSCCC[N@@H+](C)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000371844243 428406081 /nfs/dbraw/zinc/40/60/81/428406081.db2.gz LFNIQSDAISUSSO-UHFFFAOYSA-N 2 1 308.495 2.747 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)ccc1OC ZINC000414783266 428406430 /nfs/dbraw/zinc/40/64/30/428406430.db2.gz PSHVSCSLGGGFEL-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783142 428407702 /nfs/dbraw/zinc/40/77/02/428407702.db2.gz PKCWOJIVEWNVJM-DLBZAZTESA-N 2 1 310.445 2.694 20 0 DFADMP c1cc(CCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCC2 ZINC000414787654 428409223 /nfs/dbraw/zinc/40/92/23/428409223.db2.gz VSAJTOPWCNABCU-RTBURBONSA-N 2 1 314.473 2.876 20 0 DFADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414786826 428409439 /nfs/dbraw/zinc/40/94/39/428409439.db2.gz UYJSNZVJAACAOH-CHWSQXEVSA-N 2 1 313.367 2.922 20 0 DFADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786829 428409651 /nfs/dbraw/zinc/40/96/51/428409651.db2.gz UYJSNZVJAACAOH-STQMWFEESA-N 2 1 313.367 2.922 20 0 DFADMP Brc1cncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786644 428410379 /nfs/dbraw/zinc/41/03/79/428410379.db2.gz UQUJKGTWFWEKNA-KGLIPLIRSA-N 2 1 324.266 2.666 20 0 DFADMP CC1CC[NH+](CCN2CC[C@H]([N@@H+](C)Cc3ccccc3)C2)CC1 ZINC000372038756 428412657 /nfs/dbraw/zinc/41/26/57/428412657.db2.gz YJPDQMSOXVHBSW-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN[C@H]3CCCC[C@H]3C[NH3+])sc2C1 ZINC000414793120 428412951 /nfs/dbraw/zinc/41/29/51/428412951.db2.gz DECBZDJPMIEBNQ-KBPBESRZSA-N 2 1 322.522 2.517 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000414672230 428369430 /nfs/dbraw/zinc/36/94/30/428369430.db2.gz AMPVJKJYZXCZOO-ARFHVFGLSA-N 2 1 304.434 2.536 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC[N@@H+]1C ZINC000360616075 428370878 /nfs/dbraw/zinc/37/08/78/428370878.db2.gz UDDOKJZETPJLFF-UXIGCNINSA-N 2 1 305.397 2.671 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC[N@H+]1C ZINC000360616075 428370882 /nfs/dbraw/zinc/37/08/82/428370882.db2.gz UDDOKJZETPJLFF-UXIGCNINSA-N 2 1 305.397 2.671 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)ccc2O1 ZINC000414676042 428372710 /nfs/dbraw/zinc/37/27/10/428372710.db2.gz UQTZPWBAXMFDSM-USXIJHARSA-N 2 1 300.446 2.959 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)ccc2O1 ZINC000414676047 428372766 /nfs/dbraw/zinc/37/27/66/428372766.db2.gz UQTZPWBAXMFDSM-XIRDDKMYSA-N 2 1 300.446 2.959 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414688775 428375283 /nfs/dbraw/zinc/37/52/83/428375283.db2.gz DYBSMIJLLYDDIP-CVEARBPZSA-N 2 1 324.440 2.541 20 0 DFADMP O=C(C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1)Nc1ccc(Cl)cc1 ZINC000357066714 428377326 /nfs/dbraw/zinc/37/73/26/428377326.db2.gz CDCLFZVAXLHTRU-CQSZACIVSA-N 2 1 321.852 2.600 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000414693871 428379279 /nfs/dbraw/zinc/37/92/79/428379279.db2.gz MMJGRZXZBAABAW-LZLYRXPVSA-N 2 1 315.461 2.502 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3cc(OC)ccc32)[C@@H](C)C1 ZINC000372047958 428413664 /nfs/dbraw/zinc/41/36/64/428413664.db2.gz VZSANQKHWCSADK-RRQGHBQHSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3cc(OC)ccc32)[C@@H](C)C1 ZINC000372047958 428413671 /nfs/dbraw/zinc/41/36/71/428413671.db2.gz VZSANQKHWCSADK-RRQGHBQHSA-N 2 1 304.434 2.839 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000378368248 428381288 /nfs/dbraw/zinc/38/12/88/428381288.db2.gz GHEZQEWTWCPZGN-GBESFXJTSA-N 2 1 302.462 2.987 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414792024 428413693 /nfs/dbraw/zinc/41/36/93/428413693.db2.gz BUVFQRKUMQLYOU-SUMWQHHRSA-N 2 1 303.450 2.854 20 0 DFADMP c1csc(-c2noc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)n2)c1 ZINC000357075788 428382896 /nfs/dbraw/zinc/38/28/96/428382896.db2.gz JEKYHUDXJZBIBL-CYBMUJFWSA-N 2 1 318.446 2.620 20 0 DFADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414713054 428383961 /nfs/dbraw/zinc/38/39/61/428383961.db2.gz UVGUAIDDQQVXAU-DLBZAZTESA-N 2 1 317.477 2.952 20 0 DFADMP CC(C)Oc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414792805 428413735 /nfs/dbraw/zinc/41/37/35/428413735.db2.gz SMNVGRKUBCMULZ-QGZVFWFLSA-N 2 1 318.461 2.661 20 0 DFADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414713066 428384065 /nfs/dbraw/zinc/38/40/65/428384065.db2.gz UVGUAIDDQQVXAU-SJORKVTESA-N 2 1 317.477 2.952 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN[C@H]3CCCC[C@@H]3C[NH3+])sc2C1 ZINC000414793121 428413789 /nfs/dbraw/zinc/41/37/89/428413789.db2.gz DECBZDJPMIEBNQ-KGLIPLIRSA-N 2 1 322.522 2.517 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCCC2CCOCC2)C1 ZINC000346956148 428384675 /nfs/dbraw/zinc/38/46/75/428384675.db2.gz CHGALHMZUMAOAH-GOSISDBHSA-N 2 1 312.498 2.626 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC000357098310 428387823 /nfs/dbraw/zinc/38/78/23/428387823.db2.gz AODBMGDJMYIFPO-MSOLQXFVSA-N 2 1 323.440 2.702 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC000357098310 428387828 /nfs/dbraw/zinc/38/78/28/428387828.db2.gz AODBMGDJMYIFPO-MSOLQXFVSA-N 2 1 323.440 2.702 20 0 DFADMP COc1cc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc(OC)c1OC ZINC000414856296 428434959 /nfs/dbraw/zinc/43/49/59/428434959.db2.gz YMUDQYALGNDGSX-HNNXBMFYSA-N 2 1 322.449 2.710 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000360863017 428470145 /nfs/dbraw/zinc/47/01/45/428470145.db2.gz YNTBNEKJNHEZSW-MBOZVWFJSA-N 2 1 324.472 2.908 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360863017 428470150 /nfs/dbraw/zinc/47/01/50/428470150.db2.gz YNTBNEKJNHEZSW-MBOZVWFJSA-N 2 1 324.472 2.908 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)C1 ZINC000372397154 428438018 /nfs/dbraw/zinc/43/80/18/428438018.db2.gz AQFCSSOWMRACEG-KDOFPFPSSA-N 2 1 319.424 2.559 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)C1 ZINC000372397153 428438394 /nfs/dbraw/zinc/43/83/94/428438394.db2.gz AQFCSSOWMRACEG-KBXCAEBGSA-N 2 1 319.424 2.559 20 0 DFADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000347091444 428440667 /nfs/dbraw/zinc/44/06/67/428440667.db2.gz FJPVSVUJCHAQCB-UHFFFAOYSA-N 2 1 302.340 2.812 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@H](C)C1 ZINC000357221102 428441847 /nfs/dbraw/zinc/44/18/47/428441847.db2.gz QMJFTFXXQSTSFO-OKZBNKHCSA-N 2 1 323.525 2.687 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CCCNC1 ZINC000414873553 428441925 /nfs/dbraw/zinc/44/19/25/428441925.db2.gz YBRWOWBUWREFFF-HUUCEWRRSA-N 2 1 303.450 2.869 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347098900 428444353 /nfs/dbraw/zinc/44/43/53/428444353.db2.gz IXAYDEHCLHVTJI-XIKOKIGWSA-N 2 1 316.424 2.797 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000347098900 428444358 /nfs/dbraw/zinc/44/43/58/428444358.db2.gz IXAYDEHCLHVTJI-XIKOKIGWSA-N 2 1 316.424 2.797 20 0 DFADMP CC1CC[NH+](CCN2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000372414991 428446551 /nfs/dbraw/zinc/44/65/51/428446551.db2.gz CBKAWDHKATYESY-GOSISDBHSA-N 2 1 319.537 2.915 20 0 DFADMP CC1CCN(CC[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)CC1 ZINC000372414991 428446553 /nfs/dbraw/zinc/44/65/53/428446553.db2.gz CBKAWDHKATYESY-GOSISDBHSA-N 2 1 319.537 2.915 20 0 DFADMP CC1CCN(CC[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)CC1 ZINC000372414991 428446560 /nfs/dbraw/zinc/44/65/60/428446560.db2.gz CBKAWDHKATYESY-GOSISDBHSA-N 2 1 319.537 2.915 20 0 DFADMP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233893 428447544 /nfs/dbraw/zinc/44/75/44/428447544.db2.gz RTCMSXNABMUYKB-QXAKKESOSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C1CCC(F)(F)CC1 ZINC000353244355 428448053 /nfs/dbraw/zinc/44/80/53/428448053.db2.gz QEEJCMJVBROZKJ-HNNXBMFYSA-N 2 1 317.468 2.818 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357238068 428448446 /nfs/dbraw/zinc/44/84/46/428448446.db2.gz PMSOBBIWVJAYDR-RYQLBKOJSA-N 2 1 322.518 2.601 20 0 DFADMP C[C@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000347109272 428449530 /nfs/dbraw/zinc/44/95/30/428449530.db2.gz NCYACDJWJJPCCP-LRDDRELGSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@@H]1[NH3+] ZINC000347109272 428449534 /nfs/dbraw/zinc/44/95/34/428449534.db2.gz NCYACDJWJJPCCP-LRDDRELGSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000347109276 428450020 /nfs/dbraw/zinc/45/00/20/428450020.db2.gz NCYACDJWJJPCCP-MLGOLLRUSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)CC[C@H]1[NH3+] ZINC000347109276 428450021 /nfs/dbraw/zinc/45/00/21/428450021.db2.gz NCYACDJWJJPCCP-MLGOLLRUSA-N 2 1 304.825 2.695 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[S@@](C)=O ZINC000357238351 428452069 /nfs/dbraw/zinc/45/20/69/428452069.db2.gz PWUZMBMTBAMQOK-FWTHMSADSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[S@@](C)=O ZINC000357238351 428452075 /nfs/dbraw/zinc/45/20/75/428452075.db2.gz PWUZMBMTBAMQOK-FWTHMSADSA-N 2 1 322.518 2.644 20 0 DFADMP COc1cc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(SC)cc1OC ZINC000414914823 428454006 /nfs/dbraw/zinc/45/40/06/428454006.db2.gz YKDDRSZSVCEZFB-KRWDZBQOSA-N 2 1 324.490 2.905 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000360822827 428455077 /nfs/dbraw/zinc/45/50/77/428455077.db2.gz SORVHYFWKDOMEH-RTBURBONSA-N 2 1 317.477 2.605 20 0 DFADMP C[N@@H+](Cc1ccn(C2CCCC2)n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372530709 428457296 /nfs/dbraw/zinc/45/72/96/428457296.db2.gz BTVOKGBVFPPPKJ-HNNXBMFYSA-N 2 1 313.449 2.889 20 0 DFADMP C[N@H+](Cc1ccn(C2CCCC2)n1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000372530709 428457301 /nfs/dbraw/zinc/45/73/01/428457301.db2.gz BTVOKGBVFPPPKJ-HNNXBMFYSA-N 2 1 313.449 2.889 20 0 DFADMP CCCc1cccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)c1 ZINC000360839948 428457641 /nfs/dbraw/zinc/45/76/41/428457641.db2.gz KAUVLUGMZCGVOV-UHFFFAOYSA-N 2 1 315.505 2.853 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CCC[C@@H](C[NH3+])C1 ZINC000347128091 428458978 /nfs/dbraw/zinc/45/89/78/428458978.db2.gz ZOKDMIVVRAMGFP-HNNXBMFYSA-N 2 1 316.424 2.799 20 0 DFADMP CC[C@H](N[C@H]1CC[N@@H+](C)[C@@H](C)C1)c1nnc2n1CCCCC2 ZINC000360850139 428463222 /nfs/dbraw/zinc/46/32/22/428463222.db2.gz BCNFEXHTAWTZIF-KKUMJFAQSA-N 2 1 305.470 2.528 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414942482 428464754 /nfs/dbraw/zinc/46/47/54/428464754.db2.gz DNYHPVDYKZRCGL-JQWIXIFHSA-N 2 1 313.239 2.688 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1Br ZINC000414942466 428466784 /nfs/dbraw/zinc/46/67/84/428466784.db2.gz DNHCKZQGFYNKSQ-ZYHUDNBSSA-N 2 1 313.239 2.688 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC000414948595 428468708 /nfs/dbraw/zinc/46/87/08/428468708.db2.gz MJHJXWCXSZZLOD-PWSUYJOCSA-N 2 1 320.330 2.997 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414951941 428469023 /nfs/dbraw/zinc/46/90/23/428469023.db2.gz JUEINKIOWUUXFV-JMSVASOKSA-N 2 1 309.841 2.787 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000347036025 428417607 /nfs/dbraw/zinc/41/76/07/428417607.db2.gz DZHXDEULGUTGIH-NVXWUHKLSA-N 2 1 306.450 2.661 20 0 DFADMP CC(C)([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414809218 428417678 /nfs/dbraw/zinc/41/76/78/428417678.db2.gz VBWNZRDFDDWAGT-UHFFFAOYSA-N 2 1 312.339 2.922 20 0 DFADMP COc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1OC(F)F ZINC000414810283 428419084 /nfs/dbraw/zinc/41/90/84/428419084.db2.gz HSAKDNKWKJMMJO-FUNVUKJBSA-N 2 1 312.360 2.669 20 0 DFADMP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000378523392 428419384 /nfs/dbraw/zinc/41/93/84/428419384.db2.gz ZWBWRNJNVSHWLU-ZRNYENFQSA-N 3 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000378523392 428419389 /nfs/dbraw/zinc/41/93/89/428419389.db2.gz ZWBWRNJNVSHWLU-ZRNYENFQSA-N 2 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]1c1ccccc1 ZINC000378523392 428419391 /nfs/dbraw/zinc/41/93/91/428419391.db2.gz ZWBWRNJNVSHWLU-ZRNYENFQSA-N 2 1 313.489 2.896 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353181594 428420014 /nfs/dbraw/zinc/42/00/14/428420014.db2.gz HVCBFGWCFIJDNI-NJAFHUGGSA-N 2 1 317.477 2.673 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414812009 428420125 /nfs/dbraw/zinc/42/01/25/428420125.db2.gz OYEPEBJHZVMIHE-ABAIWWIYSA-N 2 1 309.841 2.692 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414815111 428421166 /nfs/dbraw/zinc/42/11/66/428421166.db2.gz ZYGBQWFXBSDRIM-QUCCMNQESA-N 2 1 315.505 2.801 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414816781 428421411 /nfs/dbraw/zinc/42/14/11/428421411.db2.gz QPHFBIODXSWBNZ-ZFWWWQNUSA-N 2 1 307.438 2.519 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000414812633 428421630 /nfs/dbraw/zinc/42/16/30/428421630.db2.gz XQNNLAHNAJJTQM-IAQYHMDHSA-N 2 1 309.841 2.692 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000414818370 428421885 /nfs/dbraw/zinc/42/18/85/428421885.db2.gz VKRYUKUETKSFJH-LBPRGKRZSA-N 2 1 302.365 2.904 20 0 DFADMP C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000347045683 428422272 /nfs/dbraw/zinc/42/22/72/428422272.db2.gz NXEXPSMBBVBMKO-FUHWJXTLSA-N 2 1 303.494 2.814 20 0 DFADMP C[C@@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1[NH3+] ZINC000347045685 428422344 /nfs/dbraw/zinc/42/23/44/428422344.db2.gz NXEXPSMBBVBMKO-SJLPKXTDSA-N 2 1 303.494 2.814 20 0 DFADMP C[C@@H](c1nncn1C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000347044447 428423206 /nfs/dbraw/zinc/42/32/06/428423206.db2.gz FJXZEWSJDVXDRZ-HOTGVXAUSA-N 2 1 319.497 2.853 20 0 DFADMP C[C@@H](c1nncn1C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000347044447 428423211 /nfs/dbraw/zinc/42/32/11/428423211.db2.gz FJXZEWSJDVXDRZ-HOTGVXAUSA-N 2 1 319.497 2.853 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000347044314 428423301 /nfs/dbraw/zinc/42/33/01/428423301.db2.gz MXROZGWVQPBMID-YPMHNXCESA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@@H]1[NH3+] ZINC000347044314 428423305 /nfs/dbraw/zinc/42/33/05/428423305.db2.gz MXROZGWVQPBMID-YPMHNXCESA-N 2 1 302.340 2.797 20 0 DFADMP C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[NH+](C)C1 ZINC000347048028 428424108 /nfs/dbraw/zinc/42/41/08/428424108.db2.gz HRWRFZGNRXRIAQ-RDJZCZTQSA-N 2 1 310.869 2.517 20 0 DFADMP C[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[N@H+](C)C1 ZINC000347048028 428424115 /nfs/dbraw/zinc/42/41/15/428424115.db2.gz HRWRFZGNRXRIAQ-RDJZCZTQSA-N 2 1 310.869 2.517 20 0 DFADMP C[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@H]1CCC[N@@H+](C)C1 ZINC000347048028 428424121 /nfs/dbraw/zinc/42/41/21/428424121.db2.gz HRWRFZGNRXRIAQ-RDJZCZTQSA-N 2 1 310.869 2.517 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000414826656 428424310 /nfs/dbraw/zinc/42/43/10/428424310.db2.gz FYVRUFKTNYCPHQ-AHRSYUTCSA-N 2 1 309.457 2.797 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000414835265 428426177 /nfs/dbraw/zinc/42/61/77/428426177.db2.gz IGIUBGHFZQNBOD-OAHLLOKOSA-N 2 1 300.450 2.941 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000378568715 428427156 /nfs/dbraw/zinc/42/71/56/428427156.db2.gz PAGCKNWYMBSOPN-CABCVRRESA-N 2 1 322.522 2.822 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCN(c2nccs2)CC1 ZINC000378568715 428427163 /nfs/dbraw/zinc/42/71/63/428427163.db2.gz PAGCKNWYMBSOPN-CABCVRRESA-N 2 1 322.522 2.822 20 0 DFADMP COc1ccc(C[NH2+][C@H](C[NH3+])CC(C)C)cc1Br ZINC000414854133 428433043 /nfs/dbraw/zinc/43/30/43/428433043.db2.gz ULRJOWQZHSLTSB-LBPRGKRZSA-N 2 1 315.255 2.921 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000391888095 428482161 /nfs/dbraw/zinc/48/21/61/428482161.db2.gz YVAXFBIZWUECHP-CALCHBBNSA-N 2 1 316.445 2.719 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414994885 428482339 /nfs/dbraw/zinc/48/23/39/428482339.db2.gz DYMMBBBHOWHUFV-CYBMUJFWSA-N 2 1 314.424 2.589 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414994886 428482372 /nfs/dbraw/zinc/48/23/72/428482372.db2.gz DYMMBBBHOWHUFV-ZDUSSCGKSA-N 2 1 314.424 2.589 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000347175775 428482508 /nfs/dbraw/zinc/48/25/08/428482508.db2.gz QITYMBOAAOYRQN-MRXNPFEDSA-N 2 1 306.450 2.914 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(C)C)c(OC)c2)C1 ZINC000347175775 428482513 /nfs/dbraw/zinc/48/25/13/428482513.db2.gz QITYMBOAAOYRQN-MRXNPFEDSA-N 2 1 306.450 2.914 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCCc2ccc3c(c2)CCO3)CC1 ZINC000360909334 428487897 /nfs/dbraw/zinc/48/78/97/428487897.db2.gz LGUIXQSGSHOBNP-UHFFFAOYSA-N 2 1 302.462 2.970 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCCc2ccc3c(c2)CCO3)CC1 ZINC000360909334 428487900 /nfs/dbraw/zinc/48/79/00/428487900.db2.gz LGUIXQSGSHOBNP-UHFFFAOYSA-N 2 1 302.462 2.970 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000415009917 428488202 /nfs/dbraw/zinc/48/82/02/428488202.db2.gz XUAXDCXNXMSEPB-HYVNUMGLSA-N 2 1 323.431 2.656 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000394357288 428488578 /nfs/dbraw/zinc/48/85/78/428488578.db2.gz YIRSGLTVQPZIJL-SQNIBIBYSA-N 2 1 315.461 2.552 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCc4[nH+]ccn4C3)n2)cc1 ZINC000372723119 428493616 /nfs/dbraw/zinc/49/36/16/428493616.db2.gz BFVXQJTUYPHBRA-HNNXBMFYSA-N 2 1 323.400 2.725 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCC1([NH+](C)Cc2ccccc2)CCC1 ZINC000395368819 428494714 /nfs/dbraw/zinc/49/47/14/428494714.db2.gz OBZAYSHSELGOCX-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1NCC1([N@H+](C)Cc2ccccc2)CCC1 ZINC000395368819 428494717 /nfs/dbraw/zinc/49/47/17/428494717.db2.gz OBZAYSHSELGOCX-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000395368819 428494721 /nfs/dbraw/zinc/49/47/21/428494721.db2.gz OBZAYSHSELGOCX-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368819 428494726 /nfs/dbraw/zinc/49/47/26/428494726.db2.gz OBZAYSHSELGOCX-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(N(C)Cc2ccccc2)CCC1 ZINC000395368819 428494729 /nfs/dbraw/zinc/49/47/29/428494729.db2.gz OBZAYSHSELGOCX-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP COc1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000360927744 428494808 /nfs/dbraw/zinc/49/48/08/428494808.db2.gz PGZIEXDSKOHVNE-QRQLOZEOSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000360927744 428494812 /nfs/dbraw/zinc/49/48/12/428494812.db2.gz PGZIEXDSKOHVNE-QRQLOZEOSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1 ZINC000360927744 428494816 /nfs/dbraw/zinc/49/48/16/428494816.db2.gz PGZIEXDSKOHVNE-QRQLOZEOSA-N 2 1 300.446 2.654 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000415038721 428495523 /nfs/dbraw/zinc/49/55/23/428495523.db2.gz IGGRIXSSSPJPLR-MAUKXSAKSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000415039001 428496301 /nfs/dbraw/zinc/49/63/01/428496301.db2.gz IGGRIXSSSPJPLR-QAPCUYQASA-N 2 1 304.434 2.668 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415052684 428500000 /nfs/dbraw/zinc/50/00/00/428500000.db2.gz NLWBPOBMUGVTDG-GDBMZVCRSA-N 2 1 322.522 2.953 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)s1 ZINC000415052684 428500003 /nfs/dbraw/zinc/50/00/03/428500003.db2.gz NLWBPOBMUGVTDG-GDBMZVCRSA-N 2 1 322.522 2.953 20 0 DFADMP c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2c(c1)OCCCO2 ZINC000415052718 428500093 /nfs/dbraw/zinc/50/00/93/428500093.db2.gz NOAGPCQEYXWFTG-DOTOQJQBSA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c2c(c1)OCCCO2 ZINC000415052718 428500095 /nfs/dbraw/zinc/50/00/95/428500095.db2.gz NOAGPCQEYXWFTG-DOTOQJQBSA-N 2 1 316.445 2.812 20 0 DFADMP CCc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000372752710 428500873 /nfs/dbraw/zinc/50/08/73/428500873.db2.gz SRZQTUKCIZQGMV-GUDVDZBRSA-N 2 1 302.462 2.933 20 0 DFADMP c1ccc([C@@H]2C[C@H]2C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415049561 428501554 /nfs/dbraw/zinc/50/15/54/428501554.db2.gz HRSCTYGAFSBUTE-FVELJTHGSA-N 2 1 313.489 2.596 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000396679612 428502304 /nfs/dbraw/zinc/50/23/04/428502304.db2.gz VJZJOCVVAYUGNQ-QFMLELGNSA-N 2 1 313.489 2.912 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133411 428531434 /nfs/dbraw/zinc/53/14/34/428531434.db2.gz VFLCKXGGIRCFSR-NVXWUHKLSA-N 2 1 312.461 2.812 20 0 DFADMP OC1(CC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000396797986 428504965 /nfs/dbraw/zinc/50/49/65/428504965.db2.gz ZKCUSDXKKPCMOV-OALUTQOASA-N 2 1 314.473 2.745 20 0 DFADMP OC1(CC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000396797986 428504969 /nfs/dbraw/zinc/50/49/69/428504969.db2.gz ZKCUSDXKKPCMOV-OALUTQOASA-N 2 1 314.473 2.745 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415057037 428505031 /nfs/dbraw/zinc/50/50/31/428505031.db2.gz SYTGHBBOAUABHK-HOTGVXAUSA-N 2 1 304.434 2.668 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cn1 ZINC000415056592 428505095 /nfs/dbraw/zinc/50/50/95/428505095.db2.gz SMQAYDRNMHFTMD-IRXDYDNUSA-N 2 1 302.466 2.502 20 0 DFADMP CC[NH+](CC)Cc1ccc(CN[C@H]2C[N@H+](CC)C[C@@H]2C)cc1 ZINC000343034653 428507735 /nfs/dbraw/zinc/50/77/35/428507735.db2.gz OUTDXVXAGZKRDH-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(CN[C@H]2C[N@@H+](CC)C[C@@H]2C)cc1 ZINC000343034653 428507740 /nfs/dbraw/zinc/50/77/40/428507740.db2.gz OUTDXVXAGZKRDH-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[N@H+](CC)C[C@H]2C)cc1 ZINC000343034655 428508007 /nfs/dbraw/zinc/50/80/07/428508007.db2.gz OUTDXVXAGZKRDH-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(CN[C@@H]2C[N@@H+](CC)C[C@H]2C)cc1 ZINC000343034655 428508011 /nfs/dbraw/zinc/50/80/11/428508011.db2.gz OUTDXVXAGZKRDH-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415069714 428509209 /nfs/dbraw/zinc/50/92/09/428509209.db2.gz TVOKGLNKYCTRRO-CZUORRHYSA-N 2 1 304.434 2.844 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000357391152 428511734 /nfs/dbraw/zinc/51/17/34/428511734.db2.gz LNOBPASBDRFTME-NJAFHUGGSA-N 2 1 317.477 2.668 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000415077373 428511902 /nfs/dbraw/zinc/51/19/02/428511902.db2.gz DWFVOAOSBDKPMC-GJZGRUSLSA-N 2 1 306.498 2.945 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000360960081 428512013 /nfs/dbraw/zinc/51/20/13/428512013.db2.gz YQPSHBYGSCVHLX-BQFCYCMXSA-N 2 1 323.525 2.924 20 0 DFADMP C[C@]1(CN[C@@H]2CCC[C@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397981235 428516292 /nfs/dbraw/zinc/51/62/92/428516292.db2.gz GYORKLLJHDOBDB-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CCCN1Cc1ccccc1 ZINC000397981235 428516296 /nfs/dbraw/zinc/51/62/96/428516296.db2.gz GYORKLLJHDOBDB-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)cc1OC ZINC000415085453 428516553 /nfs/dbraw/zinc/51/65/53/428516553.db2.gz IFUWAGMUJAJGMI-AVGNSLFASA-N 2 1 310.413 2.882 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000353393392 428516864 /nfs/dbraw/zinc/51/68/64/428516864.db2.gz JUHWCXRLAUMYTN-QYZOEREBSA-N 2 1 310.445 2.835 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000353393392 428516871 /nfs/dbraw/zinc/51/68/71/428516871.db2.gz JUHWCXRLAUMYTN-QYZOEREBSA-N 2 1 310.445 2.835 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCCC[NH2+]1 ZINC000398038576 428518604 /nfs/dbraw/zinc/51/86/04/428518604.db2.gz QXPBLXHUBOQLRB-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051039 428519413 /nfs/dbraw/zinc/51/94/13/428519413.db2.gz XTFAGKAYQHCSMZ-JYPHPWERSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051039 428519418 /nfs/dbraw/zinc/51/94/18/428519418.db2.gz XTFAGKAYQHCSMZ-JYPHPWERSA-N 3 1 301.478 2.757 20 0 DFADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000398078307 428519589 /nfs/dbraw/zinc/51/95/89/428519589.db2.gz GDTVCJGKLXLZKT-RTBURBONSA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000398078307 428519592 /nfs/dbraw/zinc/51/95/92/428519592.db2.gz GDTVCJGKLXLZKT-RTBURBONSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(F)cc1Br)[C@H]1CC[NH2+]C1 ZINC000415100439 428519671 /nfs/dbraw/zinc/51/96/71/428519671.db2.gz GPUSGOFWEPKLKC-ZJUUUORDSA-N 2 1 301.203 2.676 20 0 DFADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000398078304 428519929 /nfs/dbraw/zinc/51/99/29/428519929.db2.gz GDTVCJGKLXLZKT-MOPGFXCFSA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CCC[NH2+]CC1 ZINC000398078304 428519933 /nfs/dbraw/zinc/51/99/33/428519933.db2.gz GDTVCJGKLXLZKT-MOPGFXCFSA-N 2 1 303.494 2.875 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415103265 428520606 /nfs/dbraw/zinc/52/06/06/428520606.db2.gz CZWYXWBZWXNTJC-PBHICJAKSA-N 2 1 306.450 2.648 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@H]1C[NH3+] ZINC000415101991 428521044 /nfs/dbraw/zinc/52/10/44/428521044.db2.gz CAGKETGVTBNGNC-HOCLYGCPSA-N 2 1 304.482 2.885 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2C2CCCCC2)C[C@@H]1C[NH3+] ZINC000415101991 428521050 /nfs/dbraw/zinc/52/10/50/428521050.db2.gz CAGKETGVTBNGNC-HOCLYGCPSA-N 2 1 304.482 2.885 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000353409260 428523438 /nfs/dbraw/zinc/52/34/38/428523438.db2.gz WEVRBGMBFVVXJC-JQFCIGGWSA-N 2 1 310.388 2.806 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121967 428527506 /nfs/dbraw/zinc/52/75/06/428527506.db2.gz HWFPWWDPZPPKEU-OCCSQVGLSA-N 2 1 324.490 2.842 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121967 428527509 /nfs/dbraw/zinc/52/75/09/428527509.db2.gz HWFPWWDPZPPKEU-OCCSQVGLSA-N 2 1 324.490 2.842 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C[C@@H]1C[NH3+] ZINC000415120061 428527758 /nfs/dbraw/zinc/52/77/58/428527758.db2.gz FURWZPLYGQKXCQ-HHXXYDBFSA-N 2 1 318.461 2.661 20 0 DFADMP Fc1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1Cl ZINC000415127572 428529547 /nfs/dbraw/zinc/52/95/47/428529547.db2.gz IRYUEVUMHUBIOH-CJNGLKHVSA-N 2 1 324.827 2.680 20 0 DFADMP C[C@H](CCNc1cc[nH+]cc1Br)[NH+]1CCCCC1 ZINC000342850245 428471956 /nfs/dbraw/zinc/47/19/56/428471956.db2.gz MJIADXGMRDLCQC-GFCCVEGCSA-N 2 1 312.255 2.942 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414959190 428472521 /nfs/dbraw/zinc/47/25/21/428472521.db2.gz XBJNEMSKPHXKBQ-WBMJQRKESA-N 2 1 316.424 2.858 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414955104 428473016 /nfs/dbraw/zinc/47/30/16/428473016.db2.gz UAZOILLMQWZPKZ-DNVCBOLYSA-N 2 1 319.468 2.563 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414953971 428473337 /nfs/dbraw/zinc/47/33/37/428473337.db2.gz MIDJBILHVNLGJD-WMZOPIPTSA-N 2 1 303.494 2.875 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000414963146 428474208 /nfs/dbraw/zinc/47/42/08/428474208.db2.gz XLDGJWYHQBTWCG-ZOBUZTSGSA-N 2 1 303.450 2.751 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414960856 428476086 /nfs/dbraw/zinc/47/60/86/428476086.db2.gz YLSHFZKDSDMRIM-ZWNOBZJWSA-N 2 1 313.239 2.688 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000347165292 428476094 /nfs/dbraw/zinc/47/60/94/428476094.db2.gz JTPRQRGOYALBMC-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000347165292 428476098 /nfs/dbraw/zinc/47/60/98/428476098.db2.gz JTPRQRGOYALBMC-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)c1 ZINC000360889815 428478287 /nfs/dbraw/zinc/47/82/87/428478287.db2.gz VBZJIILTPPGFJE-UFYCRDLUSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)c1 ZINC000360889815 428478289 /nfs/dbraw/zinc/47/82/89/428478289.db2.gz VBZJIILTPPGFJE-UFYCRDLUSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000347445235 428581969 /nfs/dbraw/zinc/58/19/69/428581969.db2.gz JQOUEABMXKTRFL-CVEARBPZSA-N 2 1 301.434 2.678 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)c1ccccc1)[C@@H](C)CO ZINC000347445235 428581974 /nfs/dbraw/zinc/58/19/74/428581974.db2.gz JQOUEABMXKTRFL-CVEARBPZSA-N 2 1 301.434 2.678 20 0 DFADMP CC[C@@H]([NH2+]CCCCn1cc[nH+]c1C)C1(C(=O)OC)CCC1 ZINC000353535650 428583079 /nfs/dbraw/zinc/58/30/79/428583079.db2.gz KSQBJCYFDOYFHW-OAHLLOKOSA-N 2 1 307.438 2.683 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361667085 428585639 /nfs/dbraw/zinc/58/56/39/428585639.db2.gz MMSOBGMOLQOSPA-XHSDSOJGSA-N 2 1 320.481 2.774 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361667085 428585644 /nfs/dbraw/zinc/58/56/44/428585644.db2.gz MMSOBGMOLQOSPA-XHSDSOJGSA-N 2 1 320.481 2.774 20 0 DFADMP Cc1cc(Cl)cc(C[N@H+](C)CCCN(C)CC[NH+](C)C)c1 ZINC000353546023 428588382 /nfs/dbraw/zinc/58/83/82/428588382.db2.gz UEEWJTSXIWXDDU-UHFFFAOYSA-N 2 1 311.901 2.964 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000358227167 428589430 /nfs/dbraw/zinc/58/94/30/428589430.db2.gz AFCYMDIWMMKJDF-DLBZAZTESA-N 2 1 308.853 2.764 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000358227167 428589433 /nfs/dbraw/zinc/58/94/33/428589433.db2.gz AFCYMDIWMMKJDF-DLBZAZTESA-N 2 1 308.853 2.764 20 0 DFADMP C[C@@H](CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415130046 428532589 /nfs/dbraw/zinc/53/25/89/428532589.db2.gz PZRRTHVLLRWQQT-YJBOKZPZSA-N 2 1 313.449 2.568 20 0 DFADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353434988 428534271 /nfs/dbraw/zinc/53/42/71/428534271.db2.gz KRRYVAAVSDXTLZ-QRVBRYPASA-N 3 1 301.478 2.711 20 0 DFADMP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@H]2CCC[C@@H]21 ZINC000353434988 428534273 /nfs/dbraw/zinc/53/42/73/428534273.db2.gz KRRYVAAVSDXTLZ-QRVBRYPASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353434988 428534276 /nfs/dbraw/zinc/53/42/76/428534276.db2.gz KRRYVAAVSDXTLZ-QRVBRYPASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353434988 428534278 /nfs/dbraw/zinc/53/42/78/428534278.db2.gz KRRYVAAVSDXTLZ-QRVBRYPASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH2+]CCC[N@H+](C)Cc1cn(C)nc1-c1ccccc1Cl ZINC000415137508 428534672 /nfs/dbraw/zinc/53/46/72/428534672.db2.gz UEHGIMZMHPYZMX-UHFFFAOYSA-N 2 1 306.841 2.782 20 0 DFADMP C[NH2+]CCC[N@@H+](C)Cc1cn(C)nc1-c1ccccc1Cl ZINC000415137508 428534677 /nfs/dbraw/zinc/53/46/77/428534677.db2.gz UEHGIMZMHPYZMX-UHFFFAOYSA-N 2 1 306.841 2.782 20 0 DFADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353433971 428535043 /nfs/dbraw/zinc/53/50/43/428535043.db2.gz HSWSVXAHXCRXMS-ZACQAIPSSA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C[C@@H]1C[NH3+] ZINC000415138179 428535005 /nfs/dbraw/zinc/53/50/05/428535005.db2.gz YMJYWXXUERVHHM-YPMHNXCESA-N 2 1 304.463 2.690 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C[C@@H]1C[NH3+] ZINC000415138179 428535011 /nfs/dbraw/zinc/53/50/11/428535011.db2.gz YMJYWXXUERVHHM-YPMHNXCESA-N 2 1 304.463 2.690 20 0 DFADMP C[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C[C@H]1C[NH3+] ZINC000415138177 428535562 /nfs/dbraw/zinc/53/55/62/428535562.db2.gz YMJYWXXUERVHHM-WCQYABFASA-N 2 1 304.463 2.690 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C[C@H]1C[NH3+] ZINC000415138177 428535566 /nfs/dbraw/zinc/53/55/66/428535566.db2.gz YMJYWXXUERVHHM-WCQYABFASA-N 2 1 304.463 2.690 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399205630 428536708 /nfs/dbraw/zinc/53/67/08/428536708.db2.gz VOIZWGZTFXCJAJ-ZFWWWQNUSA-N 2 1 322.453 2.569 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353442205 428536954 /nfs/dbraw/zinc/53/69/54/428536954.db2.gz OVFKWKOIZVJVKP-XLAORIBOSA-N 2 1 317.477 2.879 20 0 DFADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400337545 428544415 /nfs/dbraw/zinc/54/44/15/428544415.db2.gz DRTCNDVXWIBTMX-QRQLOZEOSA-N 2 1 303.494 2.731 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CC[NH2+]C1 ZINC000400337545 428544419 /nfs/dbraw/zinc/54/44/19/428544419.db2.gz DRTCNDVXWIBTMX-QRQLOZEOSA-N 2 1 303.494 2.731 20 0 DFADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353456717 428544442 /nfs/dbraw/zinc/54/44/42/428544442.db2.gz WPOUYKPNPRDXNB-KSZLIROESA-N 2 1 304.434 2.536 20 0 DFADMP C[C@@H](N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400758913 428548258 /nfs/dbraw/zinc/54/82/58/428548258.db2.gz XRYILYJTMLCWTA-QFHJOOASSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400734670 428548356 /nfs/dbraw/zinc/54/83/56/428548356.db2.gz JRKQJLPUCCPSPD-DFQSSKMNSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400734670 428548361 /nfs/dbraw/zinc/54/83/61/428548361.db2.gz JRKQJLPUCCPSPD-DFQSSKMNSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400734670 428548365 /nfs/dbraw/zinc/54/83/65/428548365.db2.gz JRKQJLPUCCPSPD-DFQSSKMNSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353462312 428548527 /nfs/dbraw/zinc/54/85/27/428548527.db2.gz IOHVOMNCUNASCQ-MKXGPGLRSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353462312 428548532 /nfs/dbraw/zinc/54/85/32/428548532.db2.gz IOHVOMNCUNASCQ-MKXGPGLRSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353462312 428548537 /nfs/dbraw/zinc/54/85/37/428548537.db2.gz IOHVOMNCUNASCQ-MKXGPGLRSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)C1 ZINC000353462312 428548540 /nfs/dbraw/zinc/54/85/40/428548540.db2.gz IOHVOMNCUNASCQ-MKXGPGLRSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)[C@H]3CCC[C@@H]32)C1 ZINC000353462312 428548545 /nfs/dbraw/zinc/54/85/45/428548545.db2.gz IOHVOMNCUNASCQ-MKXGPGLRSA-N 2 1 307.526 2.961 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353465823 428550026 /nfs/dbraw/zinc/55/00/26/428550026.db2.gz ZLDCRVUWTKJLMC-KZNAEPCWSA-N 2 1 318.461 2.674 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000401004065 428551382 /nfs/dbraw/zinc/55/13/82/428551382.db2.gz ASJKKUQBLBUIDO-GSEOLPGOSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)N(C)Cc1ccccc1 ZINC000401004065 428551386 /nfs/dbraw/zinc/55/13/86/428551386.db2.gz ASJKKUQBLBUIDO-GSEOLPGOSA-N 2 1 315.505 2.875 20 0 DFADMP CC(C)[N@H+]1C[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)[C@@H](C)C1 ZINC000361365039 428559084 /nfs/dbraw/zinc/55/90/84/428559084.db2.gz HPRHTTYTNSWNDR-ZFWWWQNUSA-N 2 1 321.431 2.722 20 0 DFADMP CC(C)[N@@H+]1C[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)[C@@H](C)C1 ZINC000361365039 428559090 /nfs/dbraw/zinc/55/90/90/428559090.db2.gz HPRHTTYTNSWNDR-ZFWWWQNUSA-N 2 1 321.431 2.722 20 0 DFADMP CC/C=C/CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343540933 428559401 /nfs/dbraw/zinc/55/94/01/428559401.db2.gz XCNBZZLNQKUDLR-FBLDJFESSA-N 2 1 324.509 2.933 20 0 DFADMP CC/C=C/CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000343540933 428559405 /nfs/dbraw/zinc/55/94/05/428559405.db2.gz XCNBZZLNQKUDLR-FBLDJFESSA-N 2 1 324.509 2.933 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)C1CC1 ZINC000353489941 428562141 /nfs/dbraw/zinc/56/21/41/428562141.db2.gz QKDBLTHIQFIBQZ-AYOQOUSVSA-N 2 1 302.462 2.505 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000373386697 428563217 /nfs/dbraw/zinc/56/32/17/428563217.db2.gz IDFZIVWYMJEBQJ-IAGOWNOFSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000373386697 428563222 /nfs/dbraw/zinc/56/32/22/428563222.db2.gz IDFZIVWYMJEBQJ-IAGOWNOFSA-N 2 1 310.445 2.897 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1CC[NH3+] ZINC000404317592 428565583 /nfs/dbraw/zinc/56/55/83/428565583.db2.gz PJHWZANOPUSVNP-XDNAFOTISA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@@H]1CC[NH3+] ZINC000404317592 428565587 /nfs/dbraw/zinc/56/55/87/428565587.db2.gz PJHWZANOPUSVNP-XDNAFOTISA-N 2 1 321.509 2.617 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000353498748 428566415 /nfs/dbraw/zinc/56/64/15/428566415.db2.gz BLVMAXFSZVHFNQ-SLFFLAALSA-N 2 1 324.472 2.877 20 0 DFADMP C[C@@H]1[C@@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC(C)(C)[NH3+] ZINC000404312081 428567160 /nfs/dbraw/zinc/56/71/60/428567160.db2.gz LYDMWZRGPKOCJW-ARFHVFGLSA-N 2 1 317.477 2.624 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(OC)c1 ZINC000353503813 428567659 /nfs/dbraw/zinc/56/76/59/428567659.db2.gz PXOPIIKYVGZRQA-RCCFBDPRSA-N 2 1 318.461 2.709 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404425207 428568127 /nfs/dbraw/zinc/56/81/27/428568127.db2.gz LBXFCAJXDATEAG-HIFRSBDPSA-N 2 1 322.449 2.662 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404425207 428568133 /nfs/dbraw/zinc/56/81/33/428568133.db2.gz LBXFCAJXDATEAG-HIFRSBDPSA-N 2 1 322.449 2.662 20 0 DFADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000358287152 428594579 /nfs/dbraw/zinc/59/45/79/428594579.db2.gz IWDPROZZPLWYII-IKGGRYGDSA-N 2 1 302.466 2.538 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000353509010 428570164 /nfs/dbraw/zinc/57/01/64/428570164.db2.gz IICYVWGMVHHIJI-LWYYNNOASA-N 2 1 314.473 2.505 20 0 DFADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000353514228 428572081 /nfs/dbraw/zinc/57/20/81/428572081.db2.gz BUDRJFKUCWOIJU-QYZOEREBSA-N 3 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@H]2CCC[C@@H]21 ZINC000353514228 428572088 /nfs/dbraw/zinc/57/20/88/428572088.db2.gz BUDRJFKUCWOIJU-QYZOEREBSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000353518010 428573056 /nfs/dbraw/zinc/57/30/56/428573056.db2.gz KAUQKPVGJZXJIS-GSEOLPGOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000353518010 428573058 /nfs/dbraw/zinc/57/30/58/428573058.db2.gz KAUQKPVGJZXJIS-GSEOLPGOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000353518010 428573060 /nfs/dbraw/zinc/57/30/60/428573060.db2.gz KAUQKPVGJZXJIS-GSEOLPGOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccccc3)c2)[C@@H]1CC[NH3+] ZINC000405216417 428574639 /nfs/dbraw/zinc/57/46/39/428574639.db2.gz KGRJPTOSJOTTGW-QFBILLFUSA-N 2 1 312.461 2.881 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@H]2CCC[C@@H]21 ZINC000353521583 428574715 /nfs/dbraw/zinc/57/47/15/428574715.db2.gz QFJBQZPJWJNYTJ-QYZOEREBSA-N 2 1 310.445 2.835 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441578 428580084 /nfs/dbraw/zinc/58/00/84/428580084.db2.gz PCPAZOPTUVCFJF-NZSAHSFTSA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441578 428580086 /nfs/dbraw/zinc/58/00/86/428580086.db2.gz PCPAZOPTUVCFJF-NZSAHSFTSA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)C[C@H]1C ZINC000347441578 428580087 /nfs/dbraw/zinc/58/00/87/428580087.db2.gz PCPAZOPTUVCFJF-NZSAHSFTSA-N 2 1 304.478 2.785 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000358371960 428596359 /nfs/dbraw/zinc/59/63/59/428596359.db2.gz WJGZRCWUIHNDLO-QRTARXTBSA-N 2 1 301.434 2.557 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c2ccccc21 ZINC000358371960 428596363 /nfs/dbraw/zinc/59/63/63/428596363.db2.gz WJGZRCWUIHNDLO-QRTARXTBSA-N 2 1 301.434 2.557 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000353571920 428600803 /nfs/dbraw/zinc/60/08/03/428600803.db2.gz QMKRZHDOLVCEEM-QGZVFWFLSA-N 2 1 318.509 2.756 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000353571920 428600807 /nfs/dbraw/zinc/60/08/07/428600807.db2.gz QMKRZHDOLVCEEM-QGZVFWFLSA-N 2 1 318.509 2.756 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973951 428608615 /nfs/dbraw/zinc/60/86/15/428608615.db2.gz ZSPDAIPPYUHSOR-BEFAXECRSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000361973951 428608621 /nfs/dbraw/zinc/60/86/21/428608621.db2.gz ZSPDAIPPYUHSOR-BEFAXECRSA-N 2 1 305.510 2.856 20 0 DFADMP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c(C(C)(C)C)n1 ZINC000362040021 428612520 /nfs/dbraw/zinc/61/25/20/428612520.db2.gz ORMROITWWWZYME-OIISXLGYSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c(C(C)(C)C)n1 ZINC000362040021 428612524 /nfs/dbraw/zinc/61/25/24/428612524.db2.gz ORMROITWWWZYME-OIISXLGYSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c(C(C)(C)C)n1 ZINC000362040021 428612527 /nfs/dbraw/zinc/61/25/27/428612527.db2.gz ORMROITWWWZYME-OIISXLGYSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(C(C)(C)C)n1 ZINC000362040021 428612530 /nfs/dbraw/zinc/61/25/30/428612530.db2.gz ORMROITWWWZYME-OIISXLGYSA-N 2 1 316.493 2.634 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415901846 428622415 /nfs/dbraw/zinc/62/24/15/428622415.db2.gz NNXSACHIBLOVRQ-AWEZNQCLSA-N 2 1 306.454 2.648 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000353614482 428622506 /nfs/dbraw/zinc/62/25/06/428622506.db2.gz XLXUPGOFNAIDFU-IDHHARJASA-N 2 1 316.493 2.900 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000344299963 428627960 /nfs/dbraw/zinc/62/79/60/428627960.db2.gz GNBVUZINDIFWDU-OAHLLOKOSA-N 2 1 313.445 2.726 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000415931354 428630735 /nfs/dbraw/zinc/63/07/35/428630735.db2.gz KVOPLNSOXIGGPW-SJORKVTESA-N 2 1 316.449 2.544 20 0 DFADMP COCCC[N@@H+]1CCCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000364309490 274020894 /nfs/dbraw/zinc/02/08/94/274020894.db2.gz SQJWUMCXNMSNNU-UHFFFAOYSA-N 2 1 317.408 2.923 20 0 DFADMP COCCC[N@H+]1CCCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000364309490 274020895 /nfs/dbraw/zinc/02/08/95/274020895.db2.gz SQJWUMCXNMSNNU-UHFFFAOYSA-N 2 1 317.408 2.923 20 0 DFADMP COCC[N@H+]1CCN(c2cc(C)[nH+]c3ccc(F)cc32)C[C@@H]1C ZINC000301679030 274030266 /nfs/dbraw/zinc/03/02/66/274030266.db2.gz RFXLTKJOHMKCLQ-AWEZNQCLSA-N 2 1 317.408 2.839 20 0 DFADMP COCC[N@@H+]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000301426151 274031105 /nfs/dbraw/zinc/03/11/05/274031105.db2.gz UCQQZRRNQMBCQM-ZDUSSCGKSA-N 2 1 303.381 2.531 20 0 DFADMP COCC[N@H+]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000301426151 274031107 /nfs/dbraw/zinc/03/11/07/274031107.db2.gz UCQQZRRNQMBCQM-ZDUSSCGKSA-N 2 1 303.381 2.531 20 0 DFADMP C[C@@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@@H]1C ZINC000415972148 428636899 /nfs/dbraw/zinc/63/68/99/428636899.db2.gz HJMYADQIENVQHR-KBPBESRZSA-N 2 1 304.438 2.530 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@H]1C ZINC000415971763 428637422 /nfs/dbraw/zinc/63/74/22/428637422.db2.gz KQANMKNJRKXIJT-RHSMWYFYSA-N 2 1 318.465 2.743 20 0 DFADMP COc1ccsc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000353648262 428639365 /nfs/dbraw/zinc/63/93/65/428639365.db2.gz UZUOUQDRNJPUKX-UHFFFAOYSA-N 2 1 305.447 2.945 20 0 DFADMP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)cc[nH+]1 ZINC000344444252 428643638 /nfs/dbraw/zinc/64/36/38/428643638.db2.gz FGXJOCHMRGUDJO-QAPCUYQASA-N 2 1 313.449 2.643 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@H]2C)cc1 ZINC000344403685 428635188 /nfs/dbraw/zinc/63/51/88/428635188.db2.gz AMLZONZKRYPSCV-MRXNPFEDSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C)cc1 ZINC000344403685 428635191 /nfs/dbraw/zinc/63/51/91/428635191.db2.gz AMLZONZKRYPSCV-MRXNPFEDSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@H]2C)cc1 ZINC000344403685 428635197 /nfs/dbraw/zinc/63/51/97/428635197.db2.gz AMLZONZKRYPSCV-MRXNPFEDSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@H]2C)cc1 ZINC000344403685 428635201 /nfs/dbraw/zinc/63/52/01/428635201.db2.gz AMLZONZKRYPSCV-MRXNPFEDSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000344403685 428635203 /nfs/dbraw/zinc/63/52/03/428635203.db2.gz AMLZONZKRYPSCV-MRXNPFEDSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000353666189 428646392 /nfs/dbraw/zinc/64/63/92/428646392.db2.gz YNCTXAZUQUNDPX-UNEWFSDZSA-N 2 1 323.506 2.765 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000362194714 428656935 /nfs/dbraw/zinc/65/69/35/428656935.db2.gz KBAJWKWKMDVAOD-IRXDYDNUSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000362194714 428656940 /nfs/dbraw/zinc/65/69/40/428656940.db2.gz KBAJWKWKMDVAOD-IRXDYDNUSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000362194714 428656945 /nfs/dbraw/zinc/65/69/45/428656945.db2.gz KBAJWKWKMDVAOD-IRXDYDNUSA-N 2 1 310.482 2.915 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCn2ccnc2)CC1)CC(C)C ZINC000358750651 428657392 /nfs/dbraw/zinc/65/73/92/428657392.db2.gz LZEFFTNOFDXRRN-UHFFFAOYSA-N 2 1 306.498 2.963 20 0 DFADMP Cc1c[nH+]ccc1N(C)C[C@H]1CCC[N@@H+](C)[C@H]1c1ccnn1C ZINC000344462718 428653201 /nfs/dbraw/zinc/65/32/01/428653201.db2.gz VQSCBTPHAIIPDU-CRAIPNDOSA-N 2 1 313.449 2.643 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000353702972 428667186 /nfs/dbraw/zinc/66/71/86/428667186.db2.gz KTPAUOODHBDRTG-IKGGRYGDSA-N 2 1 309.498 2.617 20 0 DFADMP Oc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000348232243 428668924 /nfs/dbraw/zinc/66/89/24/428668924.db2.gz QKZZEFLJDQGOKJ-RCCFBDPRSA-N 2 1 323.440 2.787 20 0 DFADMP Oc1cccnc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000348232243 428668926 /nfs/dbraw/zinc/66/89/26/428668926.db2.gz QKZZEFLJDQGOKJ-RCCFBDPRSA-N 2 1 323.440 2.787 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000269052883 274355184 /nfs/dbraw/zinc/35/51/84/274355184.db2.gz RNYRHPYISFCNJH-IEBWSBKVSA-N 2 1 324.472 2.994 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCNc1ccccn1 ZINC000269052883 274355185 /nfs/dbraw/zinc/35/51/85/274355185.db2.gz RNYRHPYISFCNJH-IEBWSBKVSA-N 2 1 324.472 2.994 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000361982524 274355480 /nfs/dbraw/zinc/35/54/80/274355480.db2.gz RAOYYSKZNWZGKE-AYOQOUSVSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2c[nH]nc2C1 ZINC000361982524 274355481 /nfs/dbraw/zinc/35/54/81/274355481.db2.gz RAOYYSKZNWZGKE-AYOQOUSVSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358295502 274355545 /nfs/dbraw/zinc/35/55/45/274355545.db2.gz KBSKGSDHLIBYCV-AYOQOUSVSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCc2n[nH]cc2C1 ZINC000358295502 274355547 /nfs/dbraw/zinc/35/55/47/274355547.db2.gz KBSKGSDHLIBYCV-AYOQOUSVSA-N 2 1 324.472 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](C/C=C/C[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348235612 428672878 /nfs/dbraw/zinc/67/28/78/428672878.db2.gz MDCGKDCUNDDIEV-PJHKVULZSA-N 2 1 310.482 2.544 20 0 DFADMP CC[C@H](C(=O)NCCCC[N@H+]1CCCC[C@H]1C)[NH+](CC)CC ZINC000344540913 428675555 /nfs/dbraw/zinc/67/55/55/428675555.db2.gz KQVCYRNFSMUCAH-IAGOWNOFSA-N 2 1 311.514 2.878 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000353750899 428696599 /nfs/dbraw/zinc/69/65/99/428696599.db2.gz OSCCCRCYOVQIHS-WMLDXEAASA-N 2 1 313.449 2.776 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000353750899 428696605 /nfs/dbraw/zinc/69/66/05/428696605.db2.gz OSCCCRCYOVQIHS-WMLDXEAASA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000353750899 428696607 /nfs/dbraw/zinc/69/66/07/428696607.db2.gz OSCCCRCYOVQIHS-WMLDXEAASA-N 2 1 313.449 2.776 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)C[C@@H]1C ZINC000353750899 428696614 /nfs/dbraw/zinc/69/66/14/428696614.db2.gz OSCCCRCYOVQIHS-WMLDXEAASA-N 2 1 313.449 2.776 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416241673 428697455 /nfs/dbraw/zinc/69/74/55/428697455.db2.gz DLSKDTMNXUUNJY-ROUUACIJSA-N 2 1 317.477 2.621 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000362400189 428733593 /nfs/dbraw/zinc/73/35/93/428733593.db2.gz FQJDYSASXJRPEC-IRXDYDNUSA-N 2 1 302.466 2.751 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000362400189 428733600 /nfs/dbraw/zinc/73/36/00/428733600.db2.gz FQJDYSASXJRPEC-IRXDYDNUSA-N 2 1 302.466 2.751 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000362400189 428733606 /nfs/dbraw/zinc/73/36/06/428733606.db2.gz FQJDYSASXJRPEC-IRXDYDNUSA-N 2 1 302.466 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)C[C@@H]1C ZINC000353754714 428699928 /nfs/dbraw/zinc/69/99/28/428699928.db2.gz ZQANNGWIQJCGHW-MAUKXSAKSA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)C[C@@H]1C ZINC000353754714 428699933 /nfs/dbraw/zinc/69/99/33/428699933.db2.gz ZQANNGWIQJCGHW-MAUKXSAKSA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)C[C@@H]1C ZINC000353754714 428699943 /nfs/dbraw/zinc/69/99/43/428699943.db2.gz ZQANNGWIQJCGHW-MAUKXSAKSA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+](CC)CCCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000358843223 428701627 /nfs/dbraw/zinc/70/16/27/428701627.db2.gz YSGZDLHZGYQJLB-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+]([C@@H]3C=CCCC3)CC2)C[C@H](C)O1 ZINC000358878585 428715727 /nfs/dbraw/zinc/71/57/27/428715727.db2.gz ZUWAEWYZDZQGKF-FGTMMUONSA-N 2 1 322.493 2.685 20 0 DFADMP C[C@@H]1C[N@H+](CCOC2CC[NH+]([C@@H]3C=CCCC3)CC2)C[C@H](C)O1 ZINC000358878585 428715730 /nfs/dbraw/zinc/71/57/30/428715730.db2.gz ZUWAEWYZDZQGKF-FGTMMUONSA-N 2 1 322.493 2.685 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccccc2Cl)[C@H](C)C1 ZINC000348403398 428734293 /nfs/dbraw/zinc/73/42/93/428734293.db2.gz LVGGUHNOEFFESI-CPUCHLNUSA-N 2 1 310.869 2.736 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000348383608 428728210 /nfs/dbraw/zinc/72/82/10/428728210.db2.gz DPDBMTQPTKYBLP-VWPFQQQWSA-N 2 1 310.869 2.734 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)[NH2+]CC)cc1 ZINC000358913790 428729477 /nfs/dbraw/zinc/72/94/77/428729477.db2.gz JBVMXJZASINIIM-HNNXBMFYSA-N 2 1 305.466 2.646 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)[NH2+]CC)cc1 ZINC000358913791 428729825 /nfs/dbraw/zinc/72/98/25/428729825.db2.gz JBVMXJZASINIIM-OAHLLOKOSA-N 2 1 305.466 2.646 20 0 DFADMP CCOC(=O)[C@@H]1CCCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000362400171 428732344 /nfs/dbraw/zinc/73/23/44/428732344.db2.gz FIKNKMXFBGHDNQ-INIZCTEOSA-N 2 1 307.438 2.779 20 0 DFADMP CCOC(=O)[C@@H]1CCCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000362400171 428732351 /nfs/dbraw/zinc/73/23/51/428732351.db2.gz FIKNKMXFBGHDNQ-INIZCTEOSA-N 2 1 307.438 2.779 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348251944 428678871 /nfs/dbraw/zinc/67/88/71/428678871.db2.gz ALTSKLWKXAMSRO-WOJBJXKFSA-N 2 1 315.505 2.653 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348258321 428681359 /nfs/dbraw/zinc/68/13/59/428681359.db2.gz AARYFQJTLCBBMX-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348258321 428681363 /nfs/dbraw/zinc/68/13/63/428681363.db2.gz AARYFQJTLCBBMX-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348258321 428681370 /nfs/dbraw/zinc/68/13/70/428681370.db2.gz AARYFQJTLCBBMX-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)[C@H]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348258321 428681374 /nfs/dbraw/zinc/68/13/74/428681374.db2.gz AARYFQJTLCBBMX-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)[C@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348258321 428681376 /nfs/dbraw/zinc/68/13/76/428681376.db2.gz AARYFQJTLCBBMX-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000344691186 428692892 /nfs/dbraw/zinc/69/28/92/428692892.db2.gz XKSNCSYBCOBDDM-CZUORRHYSA-N 2 1 314.433 2.658 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000344691184 428694393 /nfs/dbraw/zinc/69/43/93/428694393.db2.gz XKSNCSYBCOBDDM-BBRMVZONSA-N 2 1 314.433 2.658 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471409 428758028 /nfs/dbraw/zinc/75/80/28/428758028.db2.gz RTFPNCSXUYPFJV-RBUKOAKNSA-N 2 1 313.489 2.855 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471409 428758031 /nfs/dbraw/zinc/75/80/31/428758031.db2.gz RTFPNCSXUYPFJV-RBUKOAKNSA-N 2 1 313.489 2.855 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3CCCc4ccccc43)CC[C@H]21 ZINC000362471409 428758034 /nfs/dbraw/zinc/75/80/34/428758034.db2.gz RTFPNCSXUYPFJV-RBUKOAKNSA-N 2 1 313.489 2.855 20 0 DFADMP CC(CC[NH+]1CCCO[C@@H](C)C1)CC[N@H+]1CCCO[C@@H](C)C1 ZINC000411219673 428760725 /nfs/dbraw/zinc/76/07/25/428760725.db2.gz QPGHWHWRLGWVSA-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP CCCOC(=O)[C@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374842192 428762740 /nfs/dbraw/zinc/76/27/40/428762740.db2.gz SGJZSEYEPVESMJ-HNNXBMFYSA-N 2 1 319.449 2.572 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411248989 428764305 /nfs/dbraw/zinc/76/43/05/428764305.db2.gz YGTMSWGQBPETKZ-MDASCCDHSA-N 2 1 320.452 2.706 20 0 DFADMP CO[C@@H]1CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@@H](OC)C2)C1 ZINC000411232864 428765656 /nfs/dbraw/zinc/76/56/56/428765656.db2.gz UGAAYBXZWGARPA-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP c1cc(C[NH+]2CCCCC2)ccc1CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000411256251 428767862 /nfs/dbraw/zinc/76/78/62/428767862.db2.gz KSXHGUQMXBINFM-HXUWFJFHSA-N 2 1 313.489 2.953 20 0 DFADMP CC(CC[NH+]1CCO[C@H](C)[C@@H]1C)CC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322423 428780753 /nfs/dbraw/zinc/78/07/53/428780753.db2.gz INSWEJFGVGYVOK-WNRNVDISSA-N 2 1 312.498 2.621 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)[C@@H]1C ZINC000353929454 428781375 /nfs/dbraw/zinc/78/13/75/428781375.db2.gz MMDOHOJBKCWQSD-LTIDMASMSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000353927415 428782005 /nfs/dbraw/zinc/78/20/05/428782005.db2.gz IRGNJCCKCAJQEV-UHFFFAOYSA-N 2 1 318.461 2.614 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000353927415 428782010 /nfs/dbraw/zinc/78/20/10/428782010.db2.gz IRGNJCCKCAJQEV-UHFFFAOYSA-N 2 1 318.461 2.614 20 0 DFADMP Cc1nc(CO[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)cs1 ZINC000374933075 428788480 /nfs/dbraw/zinc/78/84/80/428788480.db2.gz URBAJZCMBOESJF-DLBZAZTESA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)cs1 ZINC000374933075 428788485 /nfs/dbraw/zinc/78/84/85/428788485.db2.gz URBAJZCMBOESJF-DLBZAZTESA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC000374933075 428788491 /nfs/dbraw/zinc/78/84/91/428788491.db2.gz URBAJZCMBOESJF-DLBZAZTESA-N 2 1 323.506 2.917 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)cs1 ZINC000374933075 428788495 /nfs/dbraw/zinc/78/84/95/428788495.db2.gz URBAJZCMBOESJF-DLBZAZTESA-N 2 1 323.506 2.917 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362407318 428736415 /nfs/dbraw/zinc/73/64/15/428736415.db2.gz GVQPYFRJEBZWIA-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(C(=O)C(C)(C)C)CC1 ZINC000362407318 428736417 /nfs/dbraw/zinc/73/64/17/428736417.db2.gz GVQPYFRJEBZWIA-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1F ZINC000348424113 428740875 /nfs/dbraw/zinc/74/08/75/428740875.db2.gz QFAZKBFMSQEOMV-HUUCEWRRSA-N 2 1 324.440 2.986 20 0 DFADMP CC(C)N1CCc2nc(C[N@@H+]3C[C@@H]4[C@H](C3)C4(C)C)sc2C1 ZINC000374956297 428792327 /nfs/dbraw/zinc/79/23/27/428792327.db2.gz SFIRKTQTGUAGHA-BETUJISGSA-N 2 1 305.491 2.997 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000354078468 428849881 /nfs/dbraw/zinc/84/98/81/428849881.db2.gz SBXVPZWNHCXCFV-HNNXBMFYSA-N 2 1 311.495 2.693 20 0 DFADMP OC[C@]1(F)CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411730776 428850018 /nfs/dbraw/zinc/85/00/18/428850018.db2.gz PELHKEONKKRFSC-IBGZPJMESA-N 2 1 320.452 2.969 20 0 DFADMP OC[C@]1(F)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411730776 428850022 /nfs/dbraw/zinc/85/00/22/428850022.db2.gz PELHKEONKKRFSC-IBGZPJMESA-N 2 1 320.452 2.969 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000374969942 428794805 /nfs/dbraw/zinc/79/48/05/428794805.db2.gz GFAQOANFRLFBQD-YLJYHZDGSA-N 2 1 316.489 2.929 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000374969942 428794813 /nfs/dbraw/zinc/79/48/13/428794813.db2.gz GFAQOANFRLFBQD-YLJYHZDGSA-N 2 1 316.489 2.929 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362646445 428797052 /nfs/dbraw/zinc/79/70/52/428797052.db2.gz KPBHFNOFZDZPFP-QZTJIDSGSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411497268 428805094 /nfs/dbraw/zinc/80/50/94/428805094.db2.gz ODPJGJXEOHEJJH-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000353986494 428805593 /nfs/dbraw/zinc/80/55/93/428805593.db2.gz JHXKYSVMSIVNQI-IBGZPJMESA-N 2 1 316.493 2.510 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000353986494 428805599 /nfs/dbraw/zinc/80/55/99/428805599.db2.gz JHXKYSVMSIVNQI-IBGZPJMESA-N 2 1 316.493 2.510 20 0 DFADMP CCCCCNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519785 428809781 /nfs/dbraw/zinc/80/97/81/428809781.db2.gz TXIWHCNKVPYIPE-CVEARBPZSA-N 2 1 309.498 2.535 20 0 DFADMP CCCCCNC(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519785 428809784 /nfs/dbraw/zinc/80/97/84/428809784.db2.gz TXIWHCNKVPYIPE-CVEARBPZSA-N 2 1 309.498 2.535 20 0 DFADMP CCCCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519787 428811599 /nfs/dbraw/zinc/81/15/99/428811599.db2.gz TXIWHCNKVPYIPE-HZPDHXFCSA-N 2 1 309.498 2.535 20 0 DFADMP CCCCCNC(=O)C[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519787 428811601 /nfs/dbraw/zinc/81/16/01/428811601.db2.gz TXIWHCNKVPYIPE-HZPDHXFCSA-N 2 1 309.498 2.535 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)cn2)[C@@H](C)C1 ZINC000411551618 428816350 /nfs/dbraw/zinc/81/63/50/428816350.db2.gz NRJNQQQJYMNVAU-LPHOPBHVSA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)cn2)[C@@H](C)C1 ZINC000411551618 428816353 /nfs/dbraw/zinc/81/63/53/428816353.db2.gz NRJNQQQJYMNVAU-LPHOPBHVSA-N 2 1 319.493 2.871 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000411549583 428817716 /nfs/dbraw/zinc/81/77/16/428817716.db2.gz HNOOHYPIJBTSLG-FGTMMUONSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cnc3cccc(C)n23)C1 ZINC000354009085 428817724 /nfs/dbraw/zinc/81/77/24/428817724.db2.gz KTQBBSIYTZZSNY-MRXNPFEDSA-N 2 1 300.450 2.806 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H](C2CC2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000359113294 428822956 /nfs/dbraw/zinc/82/29/56/428822956.db2.gz IKIIHHXBDIHNCR-LSTHTHJFSA-N 2 1 315.505 2.969 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000359119214 428825596 /nfs/dbraw/zinc/82/55/96/428825596.db2.gz WWTWATKVUMOKRM-SJORKVTESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1CO ZINC000411615557 428826299 /nfs/dbraw/zinc/82/62/99/428826299.db2.gz CDURZXCRBXLEBS-APWZRJJASA-N 2 1 302.462 2.733 20 0 DFADMP OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411607216 428826403 /nfs/dbraw/zinc/82/64/03/428826403.db2.gz JOVJXEJDZBADRT-ROUUACIJSA-N 2 1 306.425 2.577 20 0 DFADMP OC[C@@H]1C[C@H](F)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411607216 428826405 /nfs/dbraw/zinc/82/64/05/428826405.db2.gz JOVJXEJDZBADRT-ROUUACIJSA-N 2 1 306.425 2.577 20 0 DFADMP CCc1nc(CN(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)cs1 ZINC000349059130 428909555 /nfs/dbraw/zinc/90/95/55/428909555.db2.gz BJQATLQZBOHZGG-MRXNPFEDSA-N 2 1 324.538 2.553 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059418 428909803 /nfs/dbraw/zinc/90/98/03/428909803.db2.gz BMDHZSGKWGWSHM-CRAIPNDOSA-N 2 1 319.493 2.861 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059418 428909811 /nfs/dbraw/zinc/90/98/11/428909811.db2.gz BMDHZSGKWGWSHM-CRAIPNDOSA-N 2 1 319.493 2.861 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000345500167 428910174 /nfs/dbraw/zinc/91/01/74/428910174.db2.gz CYYAFWAZVPNJCJ-HOTGVXAUSA-N 2 1 320.481 2.776 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2sccc2OC)C1 ZINC000354087416 428855425 /nfs/dbraw/zinc/85/54/25/428855425.db2.gz ADJGZJPGJQELKY-AWEZNQCLSA-N 2 1 312.479 2.689 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(F)c2)C1 ZINC000354089365 428856803 /nfs/dbraw/zinc/85/68/03/428856803.db2.gz YNJPUZPMWXUJBP-MRXNPFEDSA-N 2 1 324.440 2.767 20 0 DFADMP C[C@H]1CCC[C@@H](C[N@H+]2CCCN(Cc3nccn3C)CC2)C1 ZINC000363109084 428859177 /nfs/dbraw/zinc/85/91/77/428859177.db2.gz XXDHASNOCVKXAW-DLBZAZTESA-N 2 1 304.482 2.754 20 0 DFADMP Cc1n[nH]cc1C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000375338509 428860156 /nfs/dbraw/zinc/86/01/56/428860156.db2.gz YKEOYDBVHXHDCW-UHFFFAOYSA-N 2 1 301.438 2.883 20 0 DFADMP COc1ccc(OC)c(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000354100425 428863984 /nfs/dbraw/zinc/86/39/84/428863984.db2.gz MKBAWFWKKAYRFB-MRXNPFEDSA-N 2 1 318.461 2.868 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1C(=O)N(C)C ZINC000418063617 428877114 /nfs/dbraw/zinc/87/71/14/428877114.db2.gz HDDGHGVPSVWMTI-UHFFFAOYSA-N 2 1 317.477 2.696 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1C(=O)N(C)C ZINC000418063617 428877118 /nfs/dbraw/zinc/87/71/18/428877118.db2.gz HDDGHGVPSVWMTI-UHFFFAOYSA-N 2 1 317.477 2.696 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2nc3ccccc3s2)CC1 ZINC000348923098 428877937 /nfs/dbraw/zinc/87/79/37/428877937.db2.gz SCRZZTIBRVQXLA-UHFFFAOYSA-N 2 1 319.474 2.539 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)n1 ZINC000359232504 428881029 /nfs/dbraw/zinc/88/10/29/428881029.db2.gz VPAARCOHQUXSFV-QGZVFWFLSA-N 2 1 317.477 2.871 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c(C)n1 ZINC000359232504 428881033 /nfs/dbraw/zinc/88/10/33/428881033.db2.gz VPAARCOHQUXSFV-QGZVFWFLSA-N 2 1 317.477 2.871 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c(C)n1 ZINC000359232504 428881038 /nfs/dbraw/zinc/88/10/38/428881038.db2.gz VPAARCOHQUXSFV-QGZVFWFLSA-N 2 1 317.477 2.871 20 0 DFADMP COc1cc(C)c(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(C)n1 ZINC000359232504 428881042 /nfs/dbraw/zinc/88/10/42/428881042.db2.gz VPAARCOHQUXSFV-QGZVFWFLSA-N 2 1 317.477 2.871 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC000354134039 428881133 /nfs/dbraw/zinc/88/11/33/428881133.db2.gz NJLMHBMDSWEZNI-VYDXJSESSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC[N@@H+](C)C2CCCCC2)[C@@H]1C ZINC000354134039 428881137 /nfs/dbraw/zinc/88/11/37/428881137.db2.gz NJLMHBMDSWEZNI-VYDXJSESSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H](CCCC[NH3+])NC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000418133815 428885312 /nfs/dbraw/zinc/88/53/12/428885312.db2.gz LJISZFKOPDNLSP-NVXWUHKLSA-N 2 1 324.513 2.600 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CC2([NH+](C)C)CCCC2)CC1 ZINC000354159688 428891681 /nfs/dbraw/zinc/89/16/81/428891681.db2.gz FIYWQRVFFBIIQS-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP CCC[N@@H+](C)CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000359268789 428896914 /nfs/dbraw/zinc/89/69/14/428896914.db2.gz XRSGHFPWBIAURL-UHFFFAOYSA-N 2 1 303.450 2.605 20 0 DFADMP Cc1cnn(CC[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2ccccc2)c1 ZINC000375484446 428897259 /nfs/dbraw/zinc/89/72/59/428897259.db2.gz SAAIPUFTBGPKQW-RTBURBONSA-N 2 1 312.461 2.864 20 0 DFADMP CC(C)[C@@H]([NH2+]C1CC[NH+](C)CC1)c1ccc2[nH]c(=O)oc2c1 ZINC000359284215 428903207 /nfs/dbraw/zinc/90/32/07/428903207.db2.gz ZHQAIRCNDMLSSM-MRXNPFEDSA-N 2 1 303.406 2.914 20 0 DFADMP CCc1ncc(CN(CC[NH+](C)C)C[C@H]2CCC[N@@H+]2CC)s1 ZINC000349037866 428905647 /nfs/dbraw/zinc/90/56/47/428905647.db2.gz TZNIGJXWAXZOFI-OAHLLOKOSA-N 2 1 324.538 2.553 20 0 DFADMP CCc1ncc(CN(CC[NH+](C)C)C[C@@H]2CCC[N@@H+]2CC)s1 ZINC000349037864 428905939 /nfs/dbraw/zinc/90/59/39/428905939.db2.gz TZNIGJXWAXZOFI-HNNXBMFYSA-N 2 1 324.538 2.553 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)ccc1F ZINC000363685721 428971059 /nfs/dbraw/zinc/97/10/59/428971059.db2.gz ITYZEQULBLTUEN-CHWSQXEVSA-N 2 1 303.381 2.944 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(C)(C(=O)OCC)CC2)C1 ZINC000354209542 428916341 /nfs/dbraw/zinc/91/63/41/428916341.db2.gz IYBCFJPIPIWBAB-HJOIGYKYSA-N 2 1 310.482 2.820 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000363450945 428916531 /nfs/dbraw/zinc/91/65/31/428916531.db2.gz UZARNVKZXZKXPN-HZPDHXFCSA-N 2 1 318.465 2.653 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCN(C(C)C)C2=O)C1 ZINC000363450945 428916537 /nfs/dbraw/zinc/91/65/37/428916537.db2.gz UZARNVKZXZKXPN-HZPDHXFCSA-N 2 1 318.465 2.653 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000363444815 428916678 /nfs/dbraw/zinc/91/66/78/428916678.db2.gz XMIMVBSYBYITJW-HZPDHXFCSA-N 2 1 304.482 2.971 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363444815 428916685 /nfs/dbraw/zinc/91/66/85/428916685.db2.gz XMIMVBSYBYITJW-HZPDHXFCSA-N 2 1 304.482 2.971 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CCOCC1 ZINC000375592935 428918521 /nfs/dbraw/zinc/91/85/21/428918521.db2.gz VLZCVVNFLJANSF-SJLPKXTDSA-N 2 1 317.477 2.808 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000359332256 428924865 /nfs/dbraw/zinc/92/48/65/428924865.db2.gz REDHRYVQIQTCDT-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1noc(C)c1C[N@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000363482362 428926692 /nfs/dbraw/zinc/92/66/92/428926692.db2.gz ZDLULJKWFKPDLD-UHFFFAOYSA-N 2 1 300.406 2.787 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226706 428929994 /nfs/dbraw/zinc/92/99/94/428929994.db2.gz XMZSOFFQTOSARS-KBXCAEBGSA-N 2 1 303.450 2.950 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226706 428929997 /nfs/dbraw/zinc/92/99/97/428929997.db2.gz XMZSOFFQTOSARS-KBXCAEBGSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226706 428930007 /nfs/dbraw/zinc/93/00/07/428930007.db2.gz XMZSOFFQTOSARS-KBXCAEBGSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226706 428930013 /nfs/dbraw/zinc/93/00/13/428930013.db2.gz XMZSOFFQTOSARS-KBXCAEBGSA-N 2 1 303.450 2.950 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc([S@@](C)=O)cc3)C2)CC1 ZINC000349178783 428933658 /nfs/dbraw/zinc/93/36/58/428933658.db2.gz BNWPZPDBLMWPMI-HTAPYJJXSA-N 2 1 320.502 2.588 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349191187 428936325 /nfs/dbraw/zinc/93/63/25/428936325.db2.gz NWLUZLBYBXUICV-GOSISDBHSA-N 2 1 316.493 2.701 20 0 DFADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363538181 428936801 /nfs/dbraw/zinc/93/68/01/428936801.db2.gz NZCTULLHXOHXOO-VHPHOLNESA-N 2 1 324.509 2.527 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@@H]2CCC[C@@H]21 ZINC000375788562 428971831 /nfs/dbraw/zinc/97/18/31/428971831.db2.gz JAYQVJDCYSWUNS-IHRRRGAJSA-N 2 1 311.376 2.645 20 0 DFADMP Cc1cc([C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C2CC2)ccc1F ZINC000359376085 428945524 /nfs/dbraw/zinc/94/55/24/428945524.db2.gz UCJNQIDNTGTPIT-AEFFLSMTSA-N 2 1 306.425 2.632 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000354273320 428949830 /nfs/dbraw/zinc/94/98/30/428949830.db2.gz KZVWYBXFWNHOQI-ZWKOTPCHSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354273320 428949837 /nfs/dbraw/zinc/94/98/37/428949837.db2.gz KZVWYBXFWNHOQI-ZWKOTPCHSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354273320 428949842 /nfs/dbraw/zinc/94/98/42/428949842.db2.gz KZVWYBXFWNHOQI-ZWKOTPCHSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000375752907 428960222 /nfs/dbraw/zinc/96/02/22/428960222.db2.gz HBJMWROPXOPLME-GUDVDZBRSA-N 2 1 324.472 2.729 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCOC[C@@H]3C)sc2C1 ZINC000375750735 428960761 /nfs/dbraw/zinc/96/07/61/428960761.db2.gz NYIXFGTYTLUIEO-UONOGXRCSA-N 2 1 323.506 2.672 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCOC[C@@H]3C)sc2C1 ZINC000375750735 428960763 /nfs/dbraw/zinc/96/07/63/428960763.db2.gz NYIXFGTYTLUIEO-UONOGXRCSA-N 2 1 323.506 2.672 20 0 DFADMP O=C1CC[C@H]([NH2+]CCC[NH+]2CCCC2)c2cc(F)ccc2N1 ZINC000363678773 428967580 /nfs/dbraw/zinc/96/75/80/428967580.db2.gz UTOQSZMXBKSTDG-HNNXBMFYSA-N 2 1 305.397 2.675 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC(F)F)c2)[C@H]2CCC[C@H]21 ZINC000375788550 428970831 /nfs/dbraw/zinc/97/08/31/428970831.db2.gz JAYQVJDCYSWUNS-HZSPNIEDSA-N 2 1 311.376 2.645 20 0 DFADMP CC1(C)CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000433271399 429017836 /nfs/dbraw/zinc/01/78/36/429017836.db2.gz NGXATHPCTYNIRG-AEFFLSMTSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000433271399 429017840 /nfs/dbraw/zinc/01/78/40/429017840.db2.gz NGXATHPCTYNIRG-AEFFLSMTSA-N 2 1 302.462 2.648 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000433359688 429028643 /nfs/dbraw/zinc/02/86/43/429028643.db2.gz CWFAXQRUFSYDMT-CGTJXYLNSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]CCCCOc2ccccc2)CCCO1 ZINC000433024180 428979545 /nfs/dbraw/zinc/97/95/45/428979545.db2.gz VUUOPEHHINYFJU-SFHVURJKSA-N 2 1 320.477 2.936 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc(-n2cncn2)cc1 ZINC000349422257 428985446 /nfs/dbraw/zinc/98/54/46/428985446.db2.gz UMKPUNYKDLHGEV-UHFFFAOYSA-N 2 1 315.465 2.821 20 0 DFADMP CCn1cccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)c1=O ZINC000433070061 428989414 /nfs/dbraw/zinc/98/94/14/428989414.db2.gz WTJMMCNNHNHYQM-UHFFFAOYSA-N 2 1 317.477 2.755 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433093609 428992269 /nfs/dbraw/zinc/99/22/69/428992269.db2.gz VALZSWNUOWAJIH-ZHALLVOQSA-N 2 1 301.478 2.833 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000363782455 428992686 /nfs/dbraw/zinc/99/26/86/428992686.db2.gz HPWWMIQJVGBQRS-LTIDMASMSA-N 2 1 324.509 2.812 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000363782455 428992689 /nfs/dbraw/zinc/99/26/89/428992689.db2.gz HPWWMIQJVGBQRS-LTIDMASMSA-N 2 1 324.509 2.812 20 0 DFADMP CC[C@H](C(=O)NC[C@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000423673715 428993207 /nfs/dbraw/zinc/99/32/07/428993207.db2.gz AFZBMKXEGICFSL-OKZBNKHCSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H](CC(=O)N(C)CC[N@@H+](C)C1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000423766961 429011319 /nfs/dbraw/zinc/01/13/19/429011319.db2.gz VVDJYUDUGOXTRM-DLBZAZTESA-N 2 1 323.525 2.735 20 0 DFADMP CCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375908317 429013910 /nfs/dbraw/zinc/01/39/10/429013910.db2.gz VZZGGQRKKUWITC-FQEVSTJZSA-N 2 1 315.505 2.849 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cnn1C(C)(C)C ZINC000423481213 429097712 /nfs/dbraw/zinc/09/77/12/429097712.db2.gz QBYKMTJRSMBJIL-YPMHNXCESA-N 2 1 314.424 2.842 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000423465305 429092099 /nfs/dbraw/zinc/09/20/99/429092099.db2.gz HPJNPIXTFIQRDO-YSHGAJCASA-N 3 1 301.478 2.929 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000423465305 429092101 /nfs/dbraw/zinc/09/21/01/429092101.db2.gz HPJNPIXTFIQRDO-YSHGAJCASA-N 3 1 301.478 2.929 20 0 DFADMP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CC2 ZINC000423474130 429094616 /nfs/dbraw/zinc/09/46/16/429094616.db2.gz JKKNJBPGENVBON-ONGXEEELSA-N 2 1 320.305 2.926 20 0 DFADMP C[C@H]([NH3+])[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423479996 429094953 /nfs/dbraw/zinc/09/49/53/429094953.db2.gz VWKOKZNMOKMRSY-BHEBFOIGSA-N 2 1 301.478 2.755 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000376063158 429051725 /nfs/dbraw/zinc/05/17/25/429051725.db2.gz XZLJNIBBYZUUKM-BRWVUGGUSA-N 2 1 317.433 2.827 20 0 DFADMP CC(C)[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423283334 429055538 /nfs/dbraw/zinc/05/55/38/429055538.db2.gz XATNFWNPTLTRIG-RHSMWYFYSA-N 2 1 316.449 2.633 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC([NH3+])(CC)CC)[C@@H]1Oc1ccccc1 ZINC000423281838 429055994 /nfs/dbraw/zinc/05/59/94/429055994.db2.gz BZQRTTMGUOWWRV-ZACQAIPSSA-N 2 1 306.450 2.719 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423281626 429056602 /nfs/dbraw/zinc/05/66/02/429056602.db2.gz VVUIAZLDVQOQFQ-KANFNMMFSA-N 2 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423281626 429056604 /nfs/dbraw/zinc/05/66/04/429056604.db2.gz VVUIAZLDVQOQFQ-KANFNMMFSA-N 3 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423281626 429056609 /nfs/dbraw/zinc/05/66/09/429056609.db2.gz VVUIAZLDVQOQFQ-KANFNMMFSA-N 3 1 301.478 2.627 20 0 DFADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000423284873 429057936 /nfs/dbraw/zinc/05/79/36/429057936.db2.gz XHVVSRILEGSUHB-YGRLFVJLSA-N 2 1 302.447 2.901 20 0 DFADMP CC(C)OC(=O)CC[N@@H+](C)C1CCN(CCC(F)(F)F)CC1 ZINC000452116779 429060407 /nfs/dbraw/zinc/06/04/07/429060407.db2.gz MNBLWBOSELRROV-UHFFFAOYSA-N 2 1 324.387 2.677 20 0 DFADMP [NH3+][C@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423311567 429062142 /nfs/dbraw/zinc/06/21/42/429062142.db2.gz BZWNQOWQVQAVNQ-KGLIPLIRSA-N 2 1 300.324 2.899 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423318585 429062496 /nfs/dbraw/zinc/06/24/96/429062496.db2.gz CNUQTLQNVXWLAG-DOTOQJQBSA-N 2 1 317.477 2.703 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423322333 429062572 /nfs/dbraw/zinc/06/25/72/429062572.db2.gz IFRCMZYYERQIHR-OTWHNJEPSA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+]CCCC[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423322333 429062578 /nfs/dbraw/zinc/06/25/78/429062578.db2.gz IFRCMZYYERQIHR-OTWHNJEPSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H](C[NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423311568 429062893 /nfs/dbraw/zinc/06/28/93/429062893.db2.gz BZWNQOWQVQAVNQ-UONOGXRCSA-N 2 1 300.324 2.899 20 0 DFADMP CCC[NH2+]CC[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423313759 429063403 /nfs/dbraw/zinc/06/34/03/429063403.db2.gz USQTULGQVHXIGW-ZDUSSCGKSA-N 2 1 311.267 2.896 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@]2(C)CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423326549 429065115 /nfs/dbraw/zinc/06/51/15/429065115.db2.gz CKLVIOUFXQVXDQ-GBESFXJTSA-N 2 1 301.478 2.801 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423326549 429065118 /nfs/dbraw/zinc/06/51/18/429065118.db2.gz CKLVIOUFXQVXDQ-GBESFXJTSA-N 2 1 301.478 2.801 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423325107 429065604 /nfs/dbraw/zinc/06/56/04/429065604.db2.gz QBZAGFLEDZEICC-CXAGYDPISA-N 2 1 318.465 2.948 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423359466 429071278 /nfs/dbraw/zinc/07/12/78/429071278.db2.gz KOJHAUTUDNXDAI-FQLMCAECSA-N 2 1 306.450 2.783 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423361797 429071377 /nfs/dbraw/zinc/07/13/77/429071377.db2.gz MPIAIXSJBFSYEG-XLSIIYIISA-N 2 1 313.489 2.770 20 0 DFADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cn2cc[nH+]c12 ZINC000452154705 429071812 /nfs/dbraw/zinc/07/18/12/429071812.db2.gz SVKFFHUXPOJSST-HNNXBMFYSA-N 2 1 300.406 2.846 20 0 DFADMP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cn2cc[nH+]c12 ZINC000452154705 429071817 /nfs/dbraw/zinc/07/18/17/429071817.db2.gz SVKFFHUXPOJSST-HNNXBMFYSA-N 2 1 300.406 2.846 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2[NH2+]CCCC2(C)C)c1 ZINC000423356675 429072258 /nfs/dbraw/zinc/07/22/58/429072258.db2.gz RCIQQRMCKMYACB-QGZVFWFLSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423361796 429072792 /nfs/dbraw/zinc/07/27/92/429072792.db2.gz MPIAIXSJBFSYEG-XIKSMUEASA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423365534 429074036 /nfs/dbraw/zinc/07/40/36/429074036.db2.gz BVVXVLSFHMFTFQ-WBMJQRKESA-N 2 1 309.404 2.664 20 0 DFADMP COC1CCC([NH2+][C@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423372627 429074744 /nfs/dbraw/zinc/07/47/44/429074744.db2.gz RGUQAZQYIZLLGA-HNFMNYKYSA-N 2 1 324.415 2.958 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000423371992 429075200 /nfs/dbraw/zinc/07/52/00/429075200.db2.gz QSKCRWPSQRZINR-POAQFYNOSA-N 3 1 315.505 2.942 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000423381655 429077171 /nfs/dbraw/zinc/07/71/71/429077171.db2.gz OKHMXFJRXXBUDC-YCPHGPKFSA-N 2 1 301.434 2.605 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423377441 429077940 /nfs/dbraw/zinc/07/79/40/429077940.db2.gz YSYSIEGUROAQBC-HUUCEWRRSA-N 2 1 317.477 2.947 20 0 DFADMP CC[NH2+][C@H](C)C[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423383958 429078712 /nfs/dbraw/zinc/07/87/12/429078712.db2.gz PNPLMPOHGBYPML-IAQYHMDHSA-N 2 1 311.267 2.894 20 0 DFADMP C[NH2+][C@H](C)CN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423404940 429082052 /nfs/dbraw/zinc/08/20/52/429082052.db2.gz YJYWYFROLCZJFW-GSEOLPGOSA-N 2 1 315.505 2.875 20 0 DFADMP COC[C@]1(C[NH2+][C@@H]2C[C@H](c3ccccc3)C2(C)C)CCC[NH2+]1 ZINC000423413261 429083354 /nfs/dbraw/zinc/08/33/54/429083354.db2.gz JZNMECJBENNRAN-ZHALLVOQSA-N 2 1 302.462 2.927 20 0 DFADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000434448993 429088753 /nfs/dbraw/zinc/08/87/53/429088753.db2.gz UKDBQSMVCRBRLI-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000434448993 429088756 /nfs/dbraw/zinc/08/87/56/429088756.db2.gz UKDBQSMVCRBRLI-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000434448993 429088759 /nfs/dbraw/zinc/08/87/59/429088759.db2.gz UKDBQSMVCRBRLI-ROUUACIJSA-N 2 1 319.493 2.527 20 0 DFADMP [NH3+][C@@H](CCC(=O)NC[C@H]1CC[N@H+](C2CC2)C1)CC1CCCCC1 ZINC000424139832 429098086 /nfs/dbraw/zinc/09/80/86/429098086.db2.gz VQGLUQASPVCKSS-SJORKVTESA-N 2 1 321.509 2.665 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H](C[NH3+])C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000423497084 429099124 /nfs/dbraw/zinc/09/91/24/429099124.db2.gz FYXQYIUIFQDRQE-MNEFBYGVSA-N 2 1 301.478 2.757 20 0 DFADMP Fc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505955 429100540 /nfs/dbraw/zinc/10/05/40/429100540.db2.gz IFINXBBEBQLZSD-TVPLGVNVSA-N 2 1 317.452 2.619 20 0 DFADMP CN(CC[N@@H+](C)C1CC1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424164439 429102466 /nfs/dbraw/zinc/10/24/66/429102466.db2.gz CIBXWYGHFXBMRU-MRXNPFEDSA-N 2 1 309.498 2.617 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423506511 429102840 /nfs/dbraw/zinc/10/28/40/429102840.db2.gz HWMWKTUQTWYHHA-YDZRNGNQSA-N 2 1 324.472 2.792 20 0 DFADMP c1ccc(C[C@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423511935 429103354 /nfs/dbraw/zinc/10/33/54/429103354.db2.gz KPTTVVKZQWEETJ-UXHICEINSA-N 2 1 310.441 2.939 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000423508862 429103530 /nfs/dbraw/zinc/10/35/30/429103530.db2.gz QZJIAEYKSYORBB-MANSERQUSA-N 2 1 301.478 2.711 20 0 DFADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510519 429104491 /nfs/dbraw/zinc/10/44/91/429104491.db2.gz MMRIKDLWASYYAN-ZPQVWODMSA-N 2 1 313.489 2.726 20 0 DFADMP CC[C@@H](c1ccc2c(c1)OCCO2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423515450 429106603 /nfs/dbraw/zinc/10/66/03/429106603.db2.gz VMXCJOLOEZCGJD-QIIPPGSGSA-N 2 1 304.434 2.826 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690258 429106767 /nfs/dbraw/zinc/10/67/67/429106767.db2.gz FSIZUVNZURPDCC-KRWDZBQOSA-N 2 1 316.493 2.883 20 0 DFADMP COC(=O)CCC[C@H]1CCC[C@@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423517346 429107033 /nfs/dbraw/zinc/10/70/33/429107033.db2.gz XZIUOFBEKGCUGO-YFHUEUNASA-N 2 1 310.482 2.805 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cccc(-c2ccncc2)c1 ZINC000423522767 429107835 /nfs/dbraw/zinc/10/78/35/429107835.db2.gz RPQIYCZNFKKHCW-KXBFYZLASA-N 2 1 311.429 2.778 20 0 DFADMP Cc1ccccc1[C@H]([NH2+]C[C@@H]1C[NH2+]CCN1C)C1CCCC1 ZINC000423524168 429108147 /nfs/dbraw/zinc/10/81/47/429108147.db2.gz SPMGSZICIALQPT-PKOBYXMFSA-N 2 1 301.478 2.720 20 0 DFADMP CCC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccnc1 ZINC000423522214 429108485 /nfs/dbraw/zinc/10/84/85/429108485.db2.gz UEMCIJMNFWWPLU-CTWPCTMYSA-N 2 1 316.493 2.729 20 0 DFADMP CC(C)(C)OC(=O)C(C)(C)CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000424195002 429108606 /nfs/dbraw/zinc/10/86/06/429108606.db2.gz YJZZSEMGSUOIJK-LSDHHAIUSA-N 2 1 310.482 2.961 20 0 DFADMP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000423525796 429109483 /nfs/dbraw/zinc/10/94/83/429109483.db2.gz YQDNJCXOWMCHDE-ACBHZAAOSA-N 2 1 301.478 2.944 20 0 DFADMP Cc1ccccc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423526643 429109544 /nfs/dbraw/zinc/10/95/44/429109544.db2.gz ZVOVEKBNQBUCPU-AOCRQIFASA-N 2 1 301.478 2.862 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)CC[C@H]2CCCCO2)[C@@H]1c1cccnc1 ZINC000434743714 429109865 /nfs/dbraw/zinc/10/98/65/429109865.db2.gz RGBSPSYMZJYTJU-OTWHNJEPSA-N 2 1 317.477 2.965 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424275996 429118033 /nfs/dbraw/zinc/11/80/33/429118033.db2.gz BLZVVAKIUKDVAW-AEFFLSMTSA-N 2 1 319.468 2.532 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CC(=O)NCCC1CCCCC1)CC[NH2+]CC2 ZINC000424284121 429119565 /nfs/dbraw/zinc/11/95/65/429119565.db2.gz CONCCYLTNHRGEW-MRXNPFEDSA-N 2 1 321.509 2.537 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(Br)cn1)CC[NH2+]CC2 ZINC000424283249 429119839 /nfs/dbraw/zinc/11/98/39/429119839.db2.gz BDOZQFWQTUWFKL-GFCCVEGCSA-N 2 1 324.266 2.808 20 0 DFADMP CC(C)CCC[C@@H](C)NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424297391 429120973 /nfs/dbraw/zinc/12/09/73/429120973.db2.gz SNIJMYNOXHGBIQ-SJORKVTESA-N 2 1 323.525 2.781 20 0 DFADMP COC(=O)c1ccc(F)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424299010 429122710 /nfs/dbraw/zinc/12/27/10/429122710.db2.gz VIULVYMTLCNSDM-CYBMUJFWSA-N 2 1 320.408 2.576 20 0 DFADMP [NH3+]C[C@H](C[N@H+]1CCCC[C@@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000424305452 429123031 /nfs/dbraw/zinc/12/30/31/429123031.db2.gz SIHGJTOHKPTYBP-RHSMWYFYSA-N 2 1 302.397 2.818 20 0 DFADMP [NH3+]C[C@@H](C[N@H+]1CCCC[C@H]1c1cn[nH]c1)c1ccc(F)cc1 ZINC000424305454 429123157 /nfs/dbraw/zinc/12/31/57/429123157.db2.gz SIHGJTOHKPTYBP-YOEHRIQHSA-N 2 1 302.397 2.818 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1C ZINC000424302505 429123343 /nfs/dbraw/zinc/12/33/43/429123343.db2.gz ZRNROZUIYVGNIE-HNNXBMFYSA-N 2 1 315.461 2.706 20 0 DFADMP c1ccc(CN2CC[C@H]3C[N@H+](CC[C@@H]4CCC[NH2+]C4)C[C@H]32)cc1 ZINC000424329384 429127747 /nfs/dbraw/zinc/12/77/47/429127747.db2.gz GHSCHHKSZLKJTC-YSIASYRMSA-N 2 1 313.489 2.582 20 0 DFADMP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424378161 429130799 /nfs/dbraw/zinc/13/07/99/429130799.db2.gz SJHUJGBQTFCHOG-NXWXRZEISA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000424367990 429131571 /nfs/dbraw/zinc/13/15/71/429131571.db2.gz OINSZJKNADNPGO-QXCFHYIPSA-N 2 1 301.478 2.899 20 0 DFADMP COc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1OC ZINC000424378503 429132428 /nfs/dbraw/zinc/13/24/28/429132428.db2.gz NHOKWFRXAMVKJW-AWEZNQCLSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435374381 429132795 /nfs/dbraw/zinc/13/27/95/429132795.db2.gz IMOYDYRQEAZEEU-RDJZCZTQSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435374380 429134437 /nfs/dbraw/zinc/13/44/37/429134437.db2.gz IMOYDYRQEAZEEU-NVXWUHKLSA-N 2 1 311.429 2.830 20 0 DFADMP CCN(CC)c1ncc(C[N@H+](CC)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435380532 429135758 /nfs/dbraw/zinc/13/57/58/429135758.db2.gz OPXNVHCSOQVHON-CQSZACIVSA-N 2 1 310.511 2.953 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+](CC)[C@@H]2CCC[NH2+]CC2)s1 ZINC000435380532 429135763 /nfs/dbraw/zinc/13/57/63/429135763.db2.gz OPXNVHCSOQVHON-CQSZACIVSA-N 2 1 310.511 2.953 20 0 DFADMP C[C@H]1CC[C@@H](C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)O1 ZINC000376559951 429136016 /nfs/dbraw/zinc/13/60/16/429136016.db2.gz AZONGGDMMSVCAN-YJBOKZPZSA-N 2 1 303.450 2.545 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000435436695 429141750 /nfs/dbraw/zinc/14/17/50/429141750.db2.gz HBVBHIHUMAFHJM-MRXNPFEDSA-N 2 1 312.417 2.843 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@@H](C)[C@@H]3C)cc2)CC1 ZINC000494890036 429161494 /nfs/dbraw/zinc/16/14/94/429161494.db2.gz LWPLMJIOOLQLAZ-FUHIMQAGSA-N 2 1 315.505 2.958 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H](C)[C@@H]3C)cc2)CC1 ZINC000494890035 429161745 /nfs/dbraw/zinc/16/17/45/429161745.db2.gz LWPLMJIOOLQLAZ-ABSDTBQOSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+]2C2CCCCC2)C[N@H+]1C1CC1 ZINC000435749090 429163082 /nfs/dbraw/zinc/16/30/82/429163082.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[NH+]1C1CC1 ZINC000435749090 429163085 /nfs/dbraw/zinc/16/30/85/429163085.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)C[NH+]1C1CC1 ZINC000435749090 429163087 /nfs/dbraw/zinc/16/30/87/429163087.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749090 429163090 /nfs/dbraw/zinc/16/30/90/429163090.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749090 429163094 /nfs/dbraw/zinc/16/30/94/429163094.db2.gz RDDLEQULLCYBKM-GPMSIDNRSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)[C@H]1C ZINC000494994652 429169952 /nfs/dbraw/zinc/16/99/52/429169952.db2.gz ILZXPFHFEPKWTQ-PDWMJMLSSA-N 2 1 302.462 2.777 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272612504 275052925 /nfs/dbraw/zinc/05/29/25/275052925.db2.gz WOBKMHWOVIVDIS-MFKWGIFDSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@@H]1C ZINC000495081285 429177857 /nfs/dbraw/zinc/17/78/57/429177857.db2.gz GAJCHVFUMLPVRG-YRGVVPAESA-N 2 1 302.462 2.504 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[C@@H]1C ZINC000495081285 429177861 /nfs/dbraw/zinc/17/78/61/429177861.db2.gz GAJCHVFUMLPVRG-YRGVVPAESA-N 2 1 302.462 2.504 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC000364303526 429178286 /nfs/dbraw/zinc/17/82/86/429178286.db2.gz NQFUGDJWSFEHEG-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC000364303526 429178289 /nfs/dbraw/zinc/17/82/89/429178289.db2.gz NQFUGDJWSFEHEG-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC000364303526 429178292 /nfs/dbraw/zinc/17/82/92/429178292.db2.gz NQFUGDJWSFEHEG-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000364303526 429178297 /nfs/dbraw/zinc/17/82/97/429178297.db2.gz NQFUGDJWSFEHEG-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000364303526 429178300 /nfs/dbraw/zinc/17/83/00/429178300.db2.gz NQFUGDJWSFEHEG-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(C[C@@H]2CCCO2)C[C@H]1C ZINC000364338282 429185081 /nfs/dbraw/zinc/18/50/81/429185081.db2.gz ADBIOWDSRNTBGX-QIIPPGSGSA-N 2 1 321.465 2.524 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cs1 ZINC000436293911 429194307 /nfs/dbraw/zinc/19/43/07/429194307.db2.gz WGIIBMPFCYHOJZ-GJZGRUSLSA-N 2 1 302.447 2.855 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cs1 ZINC000436293911 429194312 /nfs/dbraw/zinc/19/43/12/429194312.db2.gz WGIIBMPFCYHOJZ-GJZGRUSLSA-N 2 1 302.447 2.855 20 0 DFADMP C([NH+]1CCC[C@@H]1C1CC1)C1(C[N@H+]2CCC[C@H]2C2CC2)COC1 ZINC000367794166 275394252 /nfs/dbraw/zinc/39/42/52/275394252.db2.gz KYPPRJKTQGFDON-HDICACEKSA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CCC[C@H]1C1CC1)C1(C[N@@H+]2CCC[C@@H]2C2CC2)COC1 ZINC000367794166 275394255 /nfs/dbraw/zinc/39/42/55/275394255.db2.gz KYPPRJKTQGFDON-HDICACEKSA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CCC[C@H]1C1CC1)C1(C[N@H+]2CCC[C@@H]2C2CC2)COC1 ZINC000367794166 275394258 /nfs/dbraw/zinc/39/42/58/275394258.db2.gz KYPPRJKTQGFDON-HDICACEKSA-N 2 1 304.478 2.752 20 0 DFADMP Brc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000364577569 429227884 /nfs/dbraw/zinc/22/78/84/429227884.db2.gz MHGYEWKTRJDHBO-JTQLQIEISA-N 2 1 310.195 2.591 20 0 DFADMP COCc1ccccc1NC(=[NH2+])NCC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000364407223 429199325 /nfs/dbraw/zinc/19/93/25/429199325.db2.gz HXIRTJOOJWBALL-VHRNVKJDSA-N 2 1 316.449 2.642 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488870769 429203560 /nfs/dbraw/zinc/20/35/60/429203560.db2.gz OMJBOCDZOCAVBL-UHFFFAOYSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC2)N1CCC([N@@H+](C)CCO)CC1 ZINC000445278074 429284611 /nfs/dbraw/zinc/28/46/11/429284611.db2.gz XMIAPSFVXAAXJK-OAHLLOKOSA-N 2 1 302.462 2.625 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000445278074 429284616 /nfs/dbraw/zinc/28/46/16/429284616.db2.gz XMIAPSFVXAAXJK-OAHLLOKOSA-N 2 1 302.462 2.625 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cc(F)cc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442769289 429234099 /nfs/dbraw/zinc/23/40/99/429234099.db2.gz VNPAPSQYDXIOTQ-MZBDJJRSSA-N 2 1 323.387 2.508 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442770803 429235129 /nfs/dbraw/zinc/23/51/29/429235129.db2.gz YGRVAKIFHHCVOP-HRCADAONSA-N 2 1 303.450 2.608 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(C)c1 ZINC000442770803 429235130 /nfs/dbraw/zinc/23/51/30/429235130.db2.gz YGRVAKIFHHCVOP-HRCADAONSA-N 2 1 303.450 2.608 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000442930095 429240951 /nfs/dbraw/zinc/24/09/51/429240951.db2.gz SPDOHWKPFGVSCF-CQSZACIVSA-N 2 1 302.397 2.572 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000442925376 429241631 /nfs/dbraw/zinc/24/16/31/429241631.db2.gz VERTWVJEMHJDPB-HNNXBMFYSA-N 2 1 305.441 2.987 20 0 DFADMP C[N@@H+](Cc1cc(F)c(F)cc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364668425 429246327 /nfs/dbraw/zinc/24/63/27/429246327.db2.gz ABXJWSZTIHQIMS-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP C[N@H+](Cc1cc(F)c(F)cc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364668425 429246331 /nfs/dbraw/zinc/24/63/31/429246331.db2.gz ABXJWSZTIHQIMS-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP COCC[N@H+](C)CCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000443441334 429250857 /nfs/dbraw/zinc/25/08/57/429250857.db2.gz KRCWFTYERWXKBR-UHFFFAOYSA-N 2 1 307.825 2.690 20 0 DFADMP COCC[N@@H+](C)CCCNc1cc[nH+]c2ccc(Cl)cc12 ZINC000443441334 429250860 /nfs/dbraw/zinc/25/08/60/429250860.db2.gz KRCWFTYERWXKBR-UHFFFAOYSA-N 2 1 307.825 2.690 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@@H](O)c3ccccc3)C2)c1 ZINC000364728488 429258196 /nfs/dbraw/zinc/25/81/96/429258196.db2.gz SVKTVSYHXKAYGP-SJLPKXTDSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@@H](O)c3ccccc3)C2)c1 ZINC000364728488 429258200 /nfs/dbraw/zinc/25/82/00/429258200.db2.gz SVKTVSYHXKAYGP-SJLPKXTDSA-N 2 1 311.429 2.857 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000425343015 429268173 /nfs/dbraw/zinc/26/81/73/429268173.db2.gz HWJAWZXYFZDLJU-FGTMMUONSA-N 2 1 320.502 2.627 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000425343016 429268611 /nfs/dbraw/zinc/26/86/11/429268611.db2.gz HWJAWZXYFZDLJU-KZNAEPCWSA-N 2 1 320.502 2.627 20 0 DFADMP CC1CC[NH+](CCN(C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000489951435 429269592 /nfs/dbraw/zinc/26/95/92/429269592.db2.gz DTRLXPHPNRSNCV-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP CS[C@H]1CC[C@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000425343423 429269885 /nfs/dbraw/zinc/26/98/85/429269885.db2.gz IGTSEOORNYRCOI-CVEARBPZSA-N 2 1 323.506 2.987 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000497230432 429321169 /nfs/dbraw/zinc/32/11/69/429321169.db2.gz XCFXKXPFVKFCGX-OAHLLOKOSA-N 2 1 313.486 2.517 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000497230432 429321172 /nfs/dbraw/zinc/32/11/72/429321172.db2.gz XCFXKXPFVKFCGX-OAHLLOKOSA-N 2 1 313.486 2.517 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCN(C)C(=O)OC(C)(C)C)C1 ZINC000497230432 429321177 /nfs/dbraw/zinc/32/11/77/429321177.db2.gz XCFXKXPFVKFCGX-OAHLLOKOSA-N 2 1 313.486 2.517 20 0 DFADMP CCOCC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000365464240 429324921 /nfs/dbraw/zinc/32/49/21/429324921.db2.gz QICHCGCITCLMHY-KDOFPFPSSA-N 2 1 317.433 2.619 20 0 DFADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCCCO2 ZINC000449093763 429330930 /nfs/dbraw/zinc/33/09/30/429330930.db2.gz YFFZMOFUGLIRHQ-IAGOWNOFSA-N 2 1 316.445 2.954 20 0 DFADMP c1cc2c(cc1C[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)OCCCCO2 ZINC000449093763 429330935 /nfs/dbraw/zinc/33/09/35/429330935.db2.gz YFFZMOFUGLIRHQ-IAGOWNOFSA-N 2 1 316.445 2.954 20 0 DFADMP CC[N@@H+](C)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449105433 429333747 /nfs/dbraw/zinc/33/37/47/429333747.db2.gz DLOBOUPGKAVDIQ-QGZVFWFLSA-N 2 1 303.494 2.623 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365538597 429336897 /nfs/dbraw/zinc/33/68/97/429336897.db2.gz NPEBTVLJSFXHFB-BHIYHBOVSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365538597 429336900 /nfs/dbraw/zinc/33/69/00/429336900.db2.gz NPEBTVLJSFXHFB-BHIYHBOVSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365538597 429336904 /nfs/dbraw/zinc/33/69/04/429336904.db2.gz NPEBTVLJSFXHFB-BHIYHBOVSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000365538597 429336908 /nfs/dbraw/zinc/33/69/08/429336908.db2.gz NPEBTVLJSFXHFB-BHIYHBOVSA-N 2 1 313.445 2.561 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365535755 429337512 /nfs/dbraw/zinc/33/75/12/429337512.db2.gz IFCQRCPFSWOYTA-QYZOEREBSA-N 2 1 316.493 2.778 20 0 DFADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365535755 429337514 /nfs/dbraw/zinc/33/75/14/429337514.db2.gz IFCQRCPFSWOYTA-QYZOEREBSA-N 2 1 316.493 2.778 20 0 DFADMP Cc1cnn(CCCCC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1 ZINC000365535755 429337517 /nfs/dbraw/zinc/33/75/17/429337517.db2.gz IFCQRCPFSWOYTA-QYZOEREBSA-N 2 1 316.493 2.778 20 0 DFADMP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000425415821 429290527 /nfs/dbraw/zinc/29/05/27/429290527.db2.gz FVYGLUJEYNXFLD-HOJAQTOUSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000425415821 429290530 /nfs/dbraw/zinc/29/05/30/429290530.db2.gz FVYGLUJEYNXFLD-HOJAQTOUSA-N 2 1 314.473 2.539 20 0 DFADMP COC(=O)[C@H](CC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000425422337 429291246 /nfs/dbraw/zinc/29/12/46/429291246.db2.gz NABKZFDTNJUJIV-CGTJXYLNSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1)c1ccccc1 ZINC000425422337 429291249 /nfs/dbraw/zinc/29/12/49/429291249.db2.gz NABKZFDTNJUJIV-CGTJXYLNSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000425422337 429291253 /nfs/dbraw/zinc/29/12/53/429291253.db2.gz NABKZFDTNJUJIV-CGTJXYLNSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000425422337 429291256 /nfs/dbraw/zinc/29/12/56/429291256.db2.gz NABKZFDTNJUJIV-CGTJXYLNSA-N 2 1 318.461 2.748 20 0 DFADMP CO[C@H](C[N@@H+](C)[C@H]1CCC[NH+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425793 429293910 /nfs/dbraw/zinc/29/39/10/429293910.db2.gz UWFRSDZTODFGGS-IPMKNSEASA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@H](C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425793 429293911 /nfs/dbraw/zinc/29/39/11/429293911.db2.gz UWFRSDZTODFGGS-IPMKNSEASA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@H](C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425793 429293917 /nfs/dbraw/zinc/29/39/17/429293917.db2.gz UWFRSDZTODFGGS-IPMKNSEASA-N 2 1 324.509 2.623 20 0 DFADMP CNC(=O)OC[C@@H]1CCCC[N@H+]1CCCc1ccc(C)nc1 ZINC000495947067 429297503 /nfs/dbraw/zinc/29/75/03/429297503.db2.gz OKMWZESHBLQVMS-INIZCTEOSA-N 2 1 305.422 2.533 20 0 DFADMP C([NH+]1CC[C@@H]2CCC[C@H]21)C1(C[N@H+]2CC[C@H]3CCC[C@@H]32)COC1 ZINC000426457189 429392631 /nfs/dbraw/zinc/39/26/31/429392631.db2.gz XRLJZTPEUWROFE-FZDBZEDMSA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CC[C@H]2CCC[C@@H]21)C1(C[N@@H+]2CC[C@@H]3CCC[C@H]32)COC1 ZINC000426457189 429392637 /nfs/dbraw/zinc/39/26/37/429392637.db2.gz XRLJZTPEUWROFE-FZDBZEDMSA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CC[C@H]2CCC[C@@H]21)C1(C[N@H+]2CC[C@@H]3CCC[C@H]32)COC1 ZINC000426457189 429392642 /nfs/dbraw/zinc/39/26/42/429392642.db2.gz XRLJZTPEUWROFE-FZDBZEDMSA-N 2 1 304.478 2.752 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449347688 429395410 /nfs/dbraw/zinc/39/54/10/429395410.db2.gz DGQPRBAXRDDTFQ-ZACQAIPSSA-N 2 1 323.525 2.911 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000457118312 429408181 /nfs/dbraw/zinc/40/81/81/429408181.db2.gz MPNWKDUJNCCITD-AEFFLSMTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000457118312 429408183 /nfs/dbraw/zinc/40/81/83/429408183.db2.gz MPNWKDUJNCCITD-AEFFLSMTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000457118312 429408186 /nfs/dbraw/zinc/40/81/86/429408186.db2.gz MPNWKDUJNCCITD-AEFFLSMTSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000366024233 429408489 /nfs/dbraw/zinc/40/84/89/429408489.db2.gz KZTJKSZOCQADPN-UXDRXVOSSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)CC[N@@H+]1C ZINC000449173936 429348581 /nfs/dbraw/zinc/34/85/81/429348581.db2.gz ONOPJAQRHFDENQ-ZBFHGGJFSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)CC[N@H+]1C ZINC000449173936 429348584 /nfs/dbraw/zinc/34/85/84/429348584.db2.gz ONOPJAQRHFDENQ-ZBFHGGJFSA-N 2 1 304.434 2.810 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000425945420 429352200 /nfs/dbraw/zinc/35/22/00/429352200.db2.gz QPFJXFBIWHUXRK-WBVHZDCISA-N 2 1 302.462 2.874 20 0 DFADMP CCn1nnc(C)c1C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C ZINC000449217758 429359562 /nfs/dbraw/zinc/35/95/62/429359562.db2.gz BORWBVROGRSINT-UHFFFAOYSA-N 2 1 315.465 2.736 20 0 DFADMP CCOC(=O)c1cc(C[N@@H+]2CCCC23CC[NH+](C)CC3)[nH]c1C ZINC000449266653 429372632 /nfs/dbraw/zinc/37/26/32/429372632.db2.gz WGEVZDBIVPCMTN-UHFFFAOYSA-N 2 1 319.449 2.560 20 0 DFADMP CCOC(=O)c1cc(C[N@H+]2CCCC23CC[NH+](C)CC3)[nH]c1C ZINC000449266653 429372635 /nfs/dbraw/zinc/37/26/35/429372635.db2.gz WGEVZDBIVPCMTN-UHFFFAOYSA-N 2 1 319.449 2.560 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)s1 ZINC000426290604 429380421 /nfs/dbraw/zinc/38/04/21/429380421.db2.gz PSDCDAOKWFWRCN-BFHYXJOUSA-N 2 1 308.495 2.666 20 0 DFADMP CSCC1CCC([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000449300113 429382468 /nfs/dbraw/zinc/38/24/68/429382468.db2.gz CRWXTRSLRAOYEU-UHFFFAOYSA-N 2 1 313.555 2.524 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000365841516 429383484 /nfs/dbraw/zinc/38/34/84/429383484.db2.gz PKDMLCBWRNWEIT-WBVHZDCISA-N 2 1 301.434 2.561 20 0 DFADMP Cc1cccc(CC[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000449326338 429387723 /nfs/dbraw/zinc/38/77/23/429387723.db2.gz UUSSZQAHURVTRK-GOSISDBHSA-N 2 1 315.505 2.638 20 0 DFADMP CCn1nnc(C)c1C[N@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000449326213 429388075 /nfs/dbraw/zinc/38/80/75/429388075.db2.gz TXEKOWQBYNJCDV-UHFFFAOYSA-N 2 1 315.465 2.690 20 0 DFADMP CCn1nnc(C)c1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000449326213 429388080 /nfs/dbraw/zinc/38/80/80/429388080.db2.gz TXEKOWQBYNJCDV-UHFFFAOYSA-N 2 1 315.465 2.690 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366532989 429470705 /nfs/dbraw/zinc/47/07/05/429470705.db2.gz GPIKUZMOPLYXLO-IBGZPJMESA-N 2 1 310.445 2.708 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366532989 429470706 /nfs/dbraw/zinc/47/07/06/429470706.db2.gz GPIKUZMOPLYXLO-IBGZPJMESA-N 2 1 310.445 2.708 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@]2(CCN(C)C2)C1 ZINC000366532989 429470713 /nfs/dbraw/zinc/47/07/13/429470713.db2.gz GPIKUZMOPLYXLO-IBGZPJMESA-N 3 1 310.445 2.708 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000366328261 429447134 /nfs/dbraw/zinc/44/71/34/429447134.db2.gz ULTHHEQIRMGRAS-ZWKOTPCHSA-N 2 1 323.525 2.831 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3nc[nH]c3c2)cc1 ZINC000518272596 429415763 /nfs/dbraw/zinc/41/57/63/429415763.db2.gz LHQCTOZDIUEWPE-UHFFFAOYSA-N 2 1 324.428 2.793 20 0 DFADMP CCOCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000426809564 429416846 /nfs/dbraw/zinc/41/68/46/429416846.db2.gz FGCDVHIOLXMTRY-CALCHBBNSA-N 2 1 312.498 2.624 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000491900257 429430863 /nfs/dbraw/zinc/43/08/63/429430863.db2.gz DMXMVYZOZCWSOK-DLBZAZTESA-N 2 1 311.514 2.924 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1 ZINC000449688873 429481624 /nfs/dbraw/zinc/48/16/24/429481624.db2.gz WPXUPQRQQGTTFK-UHFFFAOYSA-N 2 1 317.477 2.872 20 0 DFADMP O=C(CC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1cccc2ccccc21 ZINC000428037931 429487132 /nfs/dbraw/zinc/48/71/32/429487132.db2.gz VSVIIEQVKXORBK-FUHWJXTLSA-N 2 1 323.440 2.852 20 0 DFADMP O=C(CC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1)Nc1cccc2ccccc21 ZINC000428037931 429487137 /nfs/dbraw/zinc/48/71/37/429487137.db2.gz VSVIIEQVKXORBK-FUHWJXTLSA-N 2 1 323.440 2.852 20 0 DFADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000449740861 429493171 /nfs/dbraw/zinc/49/31/71/429493171.db2.gz RKDZAJIEBFIQOG-NXEWRWPSSA-N 2 1 314.473 2.933 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000492278224 429500652 /nfs/dbraw/zinc/50/06/52/429500652.db2.gz PDGCGMGDNNDKGX-CYBMUJFWSA-N 2 1 301.475 2.610 20 0 DFADMP Cc1cnc([C@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000428237633 429503290 /nfs/dbraw/zinc/50/32/90/429503290.db2.gz BJMBLXFJECBTKH-JKSUJKDBSA-N 2 1 311.433 2.983 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1c[nH]nc1-c1ccccc1)CC2 ZINC000366750354 429507577 /nfs/dbraw/zinc/50/75/77/429507577.db2.gz KOYMTCWNXAUBOG-AWEZNQCLSA-N 2 1 307.401 2.625 20 0 DFADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000449783047 429509725 /nfs/dbraw/zinc/50/97/25/429509725.db2.gz MVZCPRYGSWYFGY-XKQJLSEDSA-N 2 1 306.425 2.982 20 0 DFADMP Cc1cnc([C@H](C)N2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000428386420 429515877 /nfs/dbraw/zinc/51/58/77/429515877.db2.gz DKROMDBRJMMTAU-HDMKZQKVSA-N 2 1 300.450 2.795 20 0 DFADMP CC(C)[C@@H](CO)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000520604379 429521322 /nfs/dbraw/zinc/52/13/22/429521322.db2.gz RABOJAWNDDRKHZ-LJQANCHMSA-N 2 1 315.461 2.872 20 0 DFADMP CC(C)[C@@H](CO)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000520604379 429521325 /nfs/dbraw/zinc/52/13/25/429521325.db2.gz RABOJAWNDDRKHZ-LJQANCHMSA-N 2 1 315.461 2.872 20 0 DFADMP C[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC000521414164 429550832 /nfs/dbraw/zinc/55/08/32/429550832.db2.gz YTJZGJUWBVGUFP-NEWSRXKRSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000521414164 429550838 /nfs/dbraw/zinc/55/08/38/429550838.db2.gz YTJZGJUWBVGUFP-NEWSRXKRSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000521414164 429550844 /nfs/dbraw/zinc/55/08/44/429550844.db2.gz YTJZGJUWBVGUFP-NEWSRXKRSA-N 3 1 301.478 2.753 20 0 DFADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000428840009 429556604 /nfs/dbraw/zinc/55/66/04/429556604.db2.gz NFJBNKZXUPUFHL-KRWDZBQOSA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccccc1 ZINC000428840009 429556608 /nfs/dbraw/zinc/55/66/08/429556608.db2.gz NFJBNKZXUPUFHL-KRWDZBQOSA-N 2 1 317.477 2.622 20 0 DFADMP CCC[C@H](C(=O)NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000367052058 429565054 /nfs/dbraw/zinc/56/50/54/429565054.db2.gz HMFUUCHJPZBINA-FMKPAKJESA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H]2c2ccccc2F)CC1 ZINC000367058306 429567876 /nfs/dbraw/zinc/56/78/76/429567876.db2.gz RYLDEPDJPURZKS-IBGZPJMESA-N 2 1 319.468 2.989 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367058105 429567931 /nfs/dbraw/zinc/56/79/31/429567931.db2.gz PWWXEKKBOGHDLC-APWZRJJASA-N 2 1 317.477 2.808 20 0 DFADMP COc1ncc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000367071444 429571021 /nfs/dbraw/zinc/57/10/21/429571021.db2.gz BMHMHLNIRBHWOJ-ZYHUDNBSSA-N 2 1 306.797 2.606 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000429024190 429573757 /nfs/dbraw/zinc/57/37/57/429573757.db2.gz WSTYBVQHHNFATJ-XYJFISCASA-N 2 1 304.482 2.634 20 0 DFADMP COCC[N@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC1CCCCCC1 ZINC000522011203 429575546 /nfs/dbraw/zinc/57/55/46/429575546.db2.gz SWMTUHIBTYBXTD-KRWDZBQOSA-N 2 1 314.514 2.654 20 0 DFADMP COCC[N@@H+](C)C[C@@H](O)C[NH2+]C(C)(C)CC1CCCCCC1 ZINC000522011203 429575550 /nfs/dbraw/zinc/57/55/50/429575550.db2.gz SWMTUHIBTYBXTD-KRWDZBQOSA-N 2 1 314.514 2.654 20 0 DFADMP CC1(C)OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000294739854 275881811 /nfs/dbraw/zinc/88/18/11/275881811.db2.gz HBIOCNCYLYLAKE-GOSISDBHSA-N 2 1 320.452 2.990 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C ZINC000429245018 429590083 /nfs/dbraw/zinc/59/00/83/429590083.db2.gz NFNNAJVRWCBDSO-MRXNPFEDSA-N 2 1 320.481 2.559 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)N1CCC[C@H]1C ZINC000429245018 429590088 /nfs/dbraw/zinc/59/00/88/429590088.db2.gz NFNNAJVRWCBDSO-MRXNPFEDSA-N 2 1 320.481 2.559 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)NC1CCCCC1 ZINC000429226042 429588709 /nfs/dbraw/zinc/58/87/09/429588709.db2.gz JCMCLZVRASAVDV-UHFFFAOYSA-N 2 1 320.481 2.606 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)NC1CCCCC1 ZINC000429226042 429588714 /nfs/dbraw/zinc/58/87/14/429588714.db2.gz JCMCLZVRASAVDV-UHFFFAOYSA-N 2 1 320.481 2.606 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492438749 429538443 /nfs/dbraw/zinc/53/84/43/429538443.db2.gz UHYGJKVFFOZWTP-AWEZNQCLSA-N 2 1 313.486 2.706 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C2CCCCCC2)CC1 ZINC000523870192 429617368 /nfs/dbraw/zinc/61/73/68/429617368.db2.gz VUBNLTRYNKYRTH-UHFFFAOYSA-N 2 1 316.449 2.742 20 0 DFADMP CCc1noc([C@@H](C)N2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000367309499 429617647 /nfs/dbraw/zinc/61/76/47/429617647.db2.gz JBFOXYBQIQFJNE-KGLIPLIRSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@@H](C)[NH+]2CCC3(C[C@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000367309499 429617651 /nfs/dbraw/zinc/61/76/51/429617651.db2.gz JBFOXYBQIQFJNE-KGLIPLIRSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@@H](C)[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000367309499 429617655 /nfs/dbraw/zinc/61/76/55/429617655.db2.gz JBFOXYBQIQFJNE-KGLIPLIRSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@H](C)N2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000367309500 429618062 /nfs/dbraw/zinc/61/80/62/429618062.db2.gz JBFOXYBQIQFJNE-UONOGXRCSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@H](C)[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)n1 ZINC000367309500 429618065 /nfs/dbraw/zinc/61/80/65/429618065.db2.gz JBFOXYBQIQFJNE-UONOGXRCSA-N 2 1 318.465 2.889 20 0 DFADMP CCc1noc([C@H](C)[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)n1 ZINC000367309500 429618068 /nfs/dbraw/zinc/61/80/68/429618068.db2.gz JBFOXYBQIQFJNE-UONOGXRCSA-N 2 1 318.465 2.889 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450427807 429623337 /nfs/dbraw/zinc/62/33/37/429623337.db2.gz GJBREPLAHYBAQG-ZHALLVOQSA-N 2 1 302.462 2.569 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@H]4C3)c2c1 ZINC000450434620 429626240 /nfs/dbraw/zinc/62/62/40/429626240.db2.gz DKALXKGRLMJELO-MRXNPFEDSA-N 2 1 311.429 2.708 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@H]4C3)c2c1 ZINC000450434620 429626252 /nfs/dbraw/zinc/62/62/52/429626252.db2.gz DKALXKGRLMJELO-MRXNPFEDSA-N 2 1 311.429 2.708 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000524720216 429630377 /nfs/dbraw/zinc/63/03/77/429630377.db2.gz CVTZXTHGHTWIFC-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CCc1cc(CCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)on1 ZINC000450456325 429631357 /nfs/dbraw/zinc/63/13/57/429631357.db2.gz XCMUXEIYWVXQLW-MRXNPFEDSA-N 2 1 305.466 2.833 20 0 DFADMP CCc1cc(CCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)on1 ZINC000450456325 429631360 /nfs/dbraw/zinc/63/13/60/429631360.db2.gz XCMUXEIYWVXQLW-MRXNPFEDSA-N 2 1 305.466 2.833 20 0 DFADMP CCc1cc(CCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)on1 ZINC000450456325 429631362 /nfs/dbraw/zinc/63/13/62/429631362.db2.gz XCMUXEIYWVXQLW-MRXNPFEDSA-N 2 1 305.466 2.833 20 0 DFADMP CCc1cc(CCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)on1 ZINC000450456325 429631364 /nfs/dbraw/zinc/63/13/64/429631364.db2.gz XCMUXEIYWVXQLW-MRXNPFEDSA-N 2 1 305.466 2.833 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@@H](O)[C@H](C)c2ccccc2)C1 ZINC000450461209 429632369 /nfs/dbraw/zinc/63/23/69/429632369.db2.gz VDIVKOMRZKWBAL-ZIFCJYIRSA-N 2 1 304.478 2.815 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000492894551 429639374 /nfs/dbraw/zinc/63/93/74/429639374.db2.gz HDVHRUBATCZUKT-KTYGHDLGSA-N 2 1 316.449 2.536 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000525180362 429648588 /nfs/dbraw/zinc/64/85/88/429648588.db2.gz YMWJSVJTINFFJK-PMPSAXMXSA-N 2 1 307.507 2.815 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000450574095 429651392 /nfs/dbraw/zinc/65/13/92/429651392.db2.gz ZDEDGFLMXDWESP-GXTWGEPZSA-N 2 1 318.387 2.608 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000367201668 429595826 /nfs/dbraw/zinc/59/58/26/429595826.db2.gz UPJLJTSXRZWUGY-UHFFFAOYSA-N 2 1 315.461 2.741 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)CC1 ZINC000245954820 275969887 /nfs/dbraw/zinc/96/98/87/275969887.db2.gz XDVGSOJGWMJJPP-KZNAEPCWSA-N 2 1 324.509 2.669 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000367231706 429601585 /nfs/dbraw/zinc/60/15/85/429601585.db2.gz QMALPHGXNJYFRX-UHFFFAOYSA-N 2 1 304.482 2.861 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@H](O)[C@H](C)c2ccccc2)CC1 ZINC000450340142 429605029 /nfs/dbraw/zinc/60/50/29/429605029.db2.gz UPOBZVYIJRXJLB-APWZRJJASA-N 2 1 304.478 2.956 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450373329 429612343 /nfs/dbraw/zinc/61/23/43/429612343.db2.gz TXIQXSJZDGWWCK-ZIAGYGMSSA-N 2 1 304.425 2.589 20 0 DFADMP COC1(C[C@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)CCC1 ZINC000429528760 429612708 /nfs/dbraw/zinc/61/27/08/429612708.db2.gz PSAHNXYQMOSNAW-INIZCTEOSA-N 2 1 312.498 2.813 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(-n2ccnn2)c1 ZINC000367490186 429659452 /nfs/dbraw/zinc/65/94/52/429659452.db2.gz NIGVBDWMGNRWNW-XIRDDKMYSA-N 2 1 311.433 2.545 20 0 DFADMP C[N@@H+](CCN1CCC2(CCC[NH+]2C)CC1)Cc1ccccc1 ZINC000450642461 429667858 /nfs/dbraw/zinc/66/78/58/429667858.db2.gz IEONBFNTMKPRTN-UHFFFAOYSA-N 2 1 301.478 2.679 20 0 DFADMP C[NH+](CCN1CCC2(CCC[N@@H+]2C)CC1)Cc1ccccc1 ZINC000450642461 429667862 /nfs/dbraw/zinc/66/78/62/429667862.db2.gz IEONBFNTMKPRTN-UHFFFAOYSA-N 2 1 301.478 2.679 20 0 DFADMP C[NH+](CCN1CCC2(CCC[N@H+]2C)CC1)Cc1ccccc1 ZINC000450642461 429667868 /nfs/dbraw/zinc/66/78/68/429667868.db2.gz IEONBFNTMKPRTN-UHFFFAOYSA-N 2 1 301.478 2.679 20 0 DFADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373206568 276035987 /nfs/dbraw/zinc/03/59/87/276035987.db2.gz NZCTULLHXOHXOO-FVVUREQNSA-N 2 1 324.509 2.527 20 0 DFADMP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000367472082 429653563 /nfs/dbraw/zinc/65/35/63/429653563.db2.gz CCGKLZAVTTVRKH-IBGZPJMESA-N 2 1 301.478 2.515 20 0 DFADMP Cc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000367472082 429653569 /nfs/dbraw/zinc/65/35/69/429653569.db2.gz CCGKLZAVTTVRKH-IBGZPJMESA-N 2 1 301.478 2.515 20 0 DFADMP C[C@@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000450590053 429653724 /nfs/dbraw/zinc/65/37/24/429653724.db2.gz HTGUUKSVQQCDCA-NEPXVJNWSA-N 2 1 313.445 2.931 20 0 DFADMP CCC[C@H]1CN(c2cc[nH+]c(C)c2Cl)CC[N@H+]1CCOC ZINC000355100529 276049729 /nfs/dbraw/zinc/04/97/29/276049729.db2.gz SDNYTSJPJMDNBE-AWEZNQCLSA-N 2 1 311.857 2.981 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2n[nH]c(=O)s2)CC1 ZINC000367463576 429655228 /nfs/dbraw/zinc/65/52/28/429655228.db2.gz MOXMWXFRPKNHEC-CYBMUJFWSA-N 2 1 324.494 2.720 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2n[nH]c(=O)s2)CC1 ZINC000367463576 429655235 /nfs/dbraw/zinc/65/52/35/429655235.db2.gz MOXMWXFRPKNHEC-CYBMUJFWSA-N 2 1 324.494 2.720 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CSC[C@H]3C)sc2C1 ZINC000367576375 429675909 /nfs/dbraw/zinc/67/59/09/429675909.db2.gz PXWFCPQBAUALDI-YPMHNXCESA-N 2 1 311.520 2.751 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CSC[C@H]3C)sc2C1 ZINC000367576375 429675915 /nfs/dbraw/zinc/67/59/15/429675915.db2.gz PXWFCPQBAUALDI-YPMHNXCESA-N 2 1 311.520 2.751 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000246499792 276198257 /nfs/dbraw/zinc/19/82/57/276198257.db2.gz SBDYNSORHMPPGT-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000367601823 429682044 /nfs/dbraw/zinc/68/20/44/429682044.db2.gz PRPQCXNFNJCABU-TWMKSMIVSA-N 2 1 308.853 2.836 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211861 276213821 /nfs/dbraw/zinc/21/38/21/276213821.db2.gz YPRYQLCKPIILQE-LSDHHAIUSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211861 276213822 /nfs/dbraw/zinc/21/38/22/276213822.db2.gz YPRYQLCKPIILQE-LSDHHAIUSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211861 276213823 /nfs/dbraw/zinc/21/38/23/276213823.db2.gz YPRYQLCKPIILQE-LSDHHAIUSA-N 2 1 321.440 2.959 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548583 429689389 /nfs/dbraw/zinc/68/93/89/429689389.db2.gz MCSRQKFURWWRRW-YZUHTNEWSA-N 2 1 321.509 2.615 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548583 429689394 /nfs/dbraw/zinc/68/93/94/429689394.db2.gz MCSRQKFURWWRRW-YZUHTNEWSA-N 2 1 321.509 2.615 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430552750 429689693 /nfs/dbraw/zinc/68/96/93/429689693.db2.gz KOEGACFXGPYZCM-ZIAGYGMSSA-N 2 1 307.413 2.522 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(C)cc2F)CC1 ZINC000430553790 429689812 /nfs/dbraw/zinc/68/98/12/429689812.db2.gz PEKAWJGUPCJORW-AWEZNQCLSA-N 2 1 321.440 2.783 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430551787 429690065 /nfs/dbraw/zinc/69/00/65/429690065.db2.gz ISYHTKXJLQYGQZ-HIFRSBDPSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430551787 429690067 /nfs/dbraw/zinc/69/00/67/429690067.db2.gz ISYHTKXJLQYGQZ-HIFRSBDPSA-N 2 1 321.490 2.796 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430572031 429693985 /nfs/dbraw/zinc/69/39/85/429693985.db2.gz IZQBUSZBQZBMRJ-WBMJQRKESA-N 2 1 307.413 2.522 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000430572031 429693987 /nfs/dbraw/zinc/69/39/87/429693987.db2.gz IZQBUSZBQZBMRJ-WBMJQRKESA-N 2 1 307.413 2.522 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)c2nncn2C)c1 ZINC000287050480 276335103 /nfs/dbraw/zinc/33/51/03/276335103.db2.gz ACTKDXMQQYSZHC-CQSZACIVSA-N 2 1 301.438 2.508 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430583783 429696450 /nfs/dbraw/zinc/69/64/50/429696450.db2.gz TUJBPACJEXHYON-HOCLYGCPSA-N 2 1 314.433 2.728 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[NH2+][C@@](C)(C[NH3+])C(C)C)c1 ZINC000430577243 429696659 /nfs/dbraw/zinc/69/66/59/429696659.db2.gz XECRSOBIFJEMBU-SFHVURJKSA-N 2 1 305.466 2.535 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262305285 276383540 /nfs/dbraw/zinc/38/35/40/276383540.db2.gz OZXWFJQVSKTYQQ-ARFHVFGLSA-N 2 1 304.434 2.523 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC000450993156 429746016 /nfs/dbraw/zinc/74/60/16/429746016.db2.gz PGXROXSOKMVEAT-UHFFFAOYSA-N 2 1 324.509 2.936 20 0 DFADMP [NH3+]CC1CC[NH+]([C@H]2CCCN(c3ccccc3Cl)C2=O)CC1 ZINC000430641948 429704487 /nfs/dbraw/zinc/70/44/87/429704487.db2.gz NLPZOHAZDIBHHP-INIZCTEOSA-N 2 1 321.852 2.506 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430641406 429705244 /nfs/dbraw/zinc/70/52/44/429705244.db2.gz SSTRQVJPNDKUPU-XJKSGUPXSA-N 2 1 307.413 2.664 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000430641406 429705248 /nfs/dbraw/zinc/70/52/48/429705248.db2.gz SSTRQVJPNDKUPU-XJKSGUPXSA-N 2 1 307.413 2.664 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000430731250 429713658 /nfs/dbraw/zinc/71/36/58/429713658.db2.gz LFYVXNCJLAYHPY-SJORKVTESA-N 2 1 317.477 2.574 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(C(F)F)cc1 ZINC000526977954 429714397 /nfs/dbraw/zinc/71/43/97/429714397.db2.gz XPYHZLFBPRZJMZ-INIZCTEOSA-N 2 1 312.404 2.951 20 0 DFADMP CC(C)[C@@H](O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000367795450 429718190 /nfs/dbraw/zinc/71/81/90/429718190.db2.gz VVKLEUDWEBPVOP-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000367795450 429718193 /nfs/dbraw/zinc/71/81/93/429718193.db2.gz VVKLEUDWEBPVOP-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000367795450 429718198 /nfs/dbraw/zinc/71/81/98/429718198.db2.gz VVKLEUDWEBPVOP-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000430889156 429721727 /nfs/dbraw/zinc/72/17/27/429721727.db2.gz LWPMBNFJPDPWQC-YYIAUSFCSA-N 2 1 309.498 2.663 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430935772 429728334 /nfs/dbraw/zinc/72/83/34/429728334.db2.gz RIORCULDSOVLKO-LBPRGKRZSA-N 2 1 302.340 2.626 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000430935772 429728337 /nfs/dbraw/zinc/72/83/37/429728337.db2.gz RIORCULDSOVLKO-LBPRGKRZSA-N 2 1 302.340 2.626 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872066 429732931 /nfs/dbraw/zinc/73/29/31/429732931.db2.gz WPAUZWDOOGOGAU-QZTJIDSGSA-N 2 1 306.425 2.593 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872066 429732933 /nfs/dbraw/zinc/73/29/33/429732933.db2.gz WPAUZWDOOGOGAU-QZTJIDSGSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872066 429732937 /nfs/dbraw/zinc/73/29/37/429732937.db2.gz WPAUZWDOOGOGAU-QZTJIDSGSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000367872066 429732940 /nfs/dbraw/zinc/73/29/40/429732940.db2.gz WPAUZWDOOGOGAU-QZTJIDSGSA-N 2 1 306.425 2.593 20 0 DFADMP C[N@@H+](C[C@@H]1Cc2ccccc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000367869721 429733518 /nfs/dbraw/zinc/73/35/18/429733518.db2.gz YBJFUDUFPZLIEL-KRWDZBQOSA-N 2 1 314.473 2.902 20 0 DFADMP CCNC(=O)C[C@H]1CCCC[N@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450937526 429733768 /nfs/dbraw/zinc/73/37/68/429733768.db2.gz IAWASKRZZGMTSM-SJORKVTESA-N 2 1 309.498 2.630 20 0 DFADMP CCNC(=O)C[C@H]1CCCCN1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450937526 429733770 /nfs/dbraw/zinc/73/37/70/429733770.db2.gz IAWASKRZZGMTSM-SJORKVTESA-N 2 1 309.498 2.630 20 0 DFADMP CCNC(=O)C[C@H]1CCCCN1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450937526 429733775 /nfs/dbraw/zinc/73/37/75/429733775.db2.gz IAWASKRZZGMTSM-SJORKVTESA-N 2 1 309.498 2.630 20 0 DFADMP Cc1ccccc1[C@H]1C[C@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431078685 429738798 /nfs/dbraw/zinc/73/87/98/429738798.db2.gz GRTGZJQPYCIOGI-KBPBESRZSA-N 2 1 314.433 2.950 20 0 DFADMP C[NH+](C)CCCN[C@@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000367909240 429741320 /nfs/dbraw/zinc/74/13/20/429741320.db2.gz FWLZCAJBTYYVJZ-MOPGFXCFSA-N 2 1 301.478 2.581 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1cccc(F)c1 ZINC000367915243 429741934 /nfs/dbraw/zinc/74/19/34/429741934.db2.gz CIJRFNKIMULUNZ-QRVBRYPASA-N 2 1 320.452 2.942 20 0 DFADMP C[NH+](C)CCCN[C@H]1C[C@@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000367909241 429742149 /nfs/dbraw/zinc/74/21/49/429742149.db2.gz FWLZCAJBTYYVJZ-OALUTQOASA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000484836317 429743019 /nfs/dbraw/zinc/74/30/19/429743019.db2.gz NWYZOKZCEOGOBZ-QXCFHYIPSA-N 2 1 302.462 2.927 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432080637 429798124 /nfs/dbraw/zinc/79/81/24/429798124.db2.gz PTVAFTCTGIAOGB-MRXNPFEDSA-N 2 1 313.449 2.604 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432080637 429798127 /nfs/dbraw/zinc/79/81/27/429798127.db2.gz PTVAFTCTGIAOGB-MRXNPFEDSA-N 2 1 313.449 2.604 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432080637 429798130 /nfs/dbraw/zinc/79/81/30/429798130.db2.gz PTVAFTCTGIAOGB-MRXNPFEDSA-N 2 1 313.449 2.604 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1CC12CC2 ZINC000527846966 429808212 /nfs/dbraw/zinc/80/82/12/429808212.db2.gz ZYEFDBRSBGLATN-ARFHVFGLSA-N 2 1 319.518 2.815 20 0 DFADMP C=Cn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367959014 429753913 /nfs/dbraw/zinc/75/39/13/429753913.db2.gz FONIRTWBCYMFJM-PMACEKPBSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367959014 429753916 /nfs/dbraw/zinc/75/39/16/429753916.db2.gz FONIRTWBCYMFJM-PMACEKPBSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367959014 429753921 /nfs/dbraw/zinc/75/39/21/429753921.db2.gz FONIRTWBCYMFJM-PMACEKPBSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367959014 429753927 /nfs/dbraw/zinc/75/39/27/429753927.db2.gz FONIRTWBCYMFJM-PMACEKPBSA-N 2 1 322.456 2.938 20 0 DFADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967379 429756432 /nfs/dbraw/zinc/75/64/32/429756432.db2.gz UWOOXKBWBMLTCK-VQTJNVASSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967379 429756437 /nfs/dbraw/zinc/75/64/37/429756437.db2.gz UWOOXKBWBMLTCK-VQTJNVASSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967379 429756442 /nfs/dbraw/zinc/75/64/42/429756442.db2.gz UWOOXKBWBMLTCK-VQTJNVASSA-N 2 1 312.457 2.787 20 0 DFADMP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)c1 ZINC000368015181 429766408 /nfs/dbraw/zinc/76/64/08/429766408.db2.gz BVOBAMGTACWRKU-HJYDQQMMSA-N 2 1 322.399 2.664 20 0 DFADMP Fc1cc(F)cc(C2CC([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)c1 ZINC000368015181 429766411 /nfs/dbraw/zinc/76/64/11/429766411.db2.gz BVOBAMGTACWRKU-HJYDQQMMSA-N 2 1 322.399 2.664 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527663679 429775821 /nfs/dbraw/zinc/77/58/21/429775821.db2.gz BLOQDWMYXVZIRE-XFWGSAIBSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527663679 429775826 /nfs/dbraw/zinc/77/58/26/429775826.db2.gz BLOQDWMYXVZIRE-XFWGSAIBSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431725962 429779697 /nfs/dbraw/zinc/77/96/97/429779697.db2.gz OUTMNCFPPTXFQH-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431725962 429779702 /nfs/dbraw/zinc/77/97/02/429779702.db2.gz OUTMNCFPPTXFQH-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431725962 429779705 /nfs/dbraw/zinc/77/97/05/429779705.db2.gz OUTMNCFPPTXFQH-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072735 429780720 /nfs/dbraw/zinc/78/07/20/429780720.db2.gz PZLKGTPZXTUKFV-RBUKOAKNSA-N 2 1 302.462 2.844 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072735 429780721 /nfs/dbraw/zinc/78/07/21/429780721.db2.gz PZLKGTPZXTUKFV-RBUKOAKNSA-N 2 1 302.462 2.844 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@](O)(c2ccccc2)CC1 ZINC000368072735 429780726 /nfs/dbraw/zinc/78/07/26/429780726.db2.gz PZLKGTPZXTUKFV-RBUKOAKNSA-N 2 1 302.462 2.844 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431784576 429782878 /nfs/dbraw/zinc/78/28/78/429782878.db2.gz LZHLOWDQPIGTDA-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431784576 429782881 /nfs/dbraw/zinc/78/28/81/429782881.db2.gz LZHLOWDQPIGTDA-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000431784576 429782886 /nfs/dbraw/zinc/78/28/86/429782886.db2.gz LZHLOWDQPIGTDA-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP COC[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368235193 429815346 /nfs/dbraw/zinc/81/53/46/429815346.db2.gz NSRQHBXVQZPWFA-WZGPROSRSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432354034 429817819 /nfs/dbraw/zinc/81/78/19/429817819.db2.gz SEILFCWEODBHBB-CVEARBPZSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432354034 429817822 /nfs/dbraw/zinc/81/78/22/429817822.db2.gz SEILFCWEODBHBB-CVEARBPZSA-N 2 1 308.441 2.847 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)OC)c1 ZINC000527919720 429820241 /nfs/dbraw/zinc/82/02/41/429820241.db2.gz JQVYFAOVYUTYKV-ZZCKCESHSA-N 2 1 306.450 2.701 20 0 DFADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432411012 429821879 /nfs/dbraw/zinc/82/18/79/429821879.db2.gz UPWVMBBRJIBSTI-GVDBMIGSSA-N 2 1 312.498 2.669 20 0 DFADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432411012 429821881 /nfs/dbraw/zinc/82/18/81/429821881.db2.gz UPWVMBBRJIBSTI-GVDBMIGSSA-N 2 1 312.498 2.669 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432419710 429822097 /nfs/dbraw/zinc/82/20/97/429822097.db2.gz FHTXHAZCGVHVDS-GWFLUQINSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432419710 429822100 /nfs/dbraw/zinc/82/21/00/429822100.db2.gz FHTXHAZCGVHVDS-GWFLUQINSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cnn1C(C)C ZINC000432431238 429823498 /nfs/dbraw/zinc/82/34/98/429823498.db2.gz VTMXWFWEQAKQMR-HZPDHXFCSA-N 2 1 322.497 2.924 20 0 DFADMP Cc1c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cnn1C(C)C ZINC000432431238 429823500 /nfs/dbraw/zinc/82/35/00/429823500.db2.gz VTMXWFWEQAKQMR-HZPDHXFCSA-N 2 1 322.497 2.924 20 0 DFADMP C[N@H+](Cc1cncs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000368297550 429827662 /nfs/dbraw/zinc/82/76/62/429827662.db2.gz FYIYFPOEVZMUCH-UHFFFAOYSA-N 2 1 302.447 2.887 20 0 DFADMP O[C@@H](CCc1ccccc1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000368319767 429830636 /nfs/dbraw/zinc/83/06/36/429830636.db2.gz TZHGFEQBDTVNJL-FQEVSTJZSA-N 2 1 316.489 2.977 20 0 DFADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000432826499 429842542 /nfs/dbraw/zinc/84/25/42/429842542.db2.gz ZAHZLICXHPMOSM-PMACEKPBSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000432826499 429842546 /nfs/dbraw/zinc/84/25/46/429842546.db2.gz ZAHZLICXHPMOSM-PMACEKPBSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000432826499 429842549 /nfs/dbraw/zinc/84/25/49/429842549.db2.gz ZAHZLICXHPMOSM-PMACEKPBSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000432826500 429843769 /nfs/dbraw/zinc/84/37/69/429843769.db2.gz ZAHZLICXHPMOSM-UXHICEINSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000432826500 429843773 /nfs/dbraw/zinc/84/37/73/429843773.db2.gz ZAHZLICXHPMOSM-UXHICEINSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000432826500 429843776 /nfs/dbraw/zinc/84/37/76/429843776.db2.gz ZAHZLICXHPMOSM-UXHICEINSA-N 2 1 316.489 2.991 20 0 DFADMP c1nc(NC[C@H]2CC[N@H+]2C2CCCCC2)cc(N2CCCC2)n1 ZINC000528117452 429850121 /nfs/dbraw/zinc/85/01/21/429850121.db2.gz ZCCHNTBEYHLUJF-MRXNPFEDSA-N 2 1 315.465 2.896 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368448437 429851460 /nfs/dbraw/zinc/85/14/60/429851460.db2.gz AKWLBHHCWQRWRL-SJCJKPOMSA-N 2 1 315.392 2.913 20 0 DFADMP Cc1cc(NC2CC[NH+](CC3(O)CCCCC3)CC2)nc(C)[nH+]1 ZINC000368462845 429852050 /nfs/dbraw/zinc/85/20/50/429852050.db2.gz UNVLKMYJQFAESL-UHFFFAOYSA-N 2 1 318.465 2.665 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@H]1Cc3[nH]c4ccccc4c3C1)C2 ZINC000368521220 429859917 /nfs/dbraw/zinc/85/99/17/429859917.db2.gz CSCYBQNWWZFLIE-UONOGXRCSA-N 2 1 306.413 2.684 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCCC1CCOCC1 ZINC000368530470 429863248 /nfs/dbraw/zinc/86/32/48/429863248.db2.gz MRWZXLUFPBHUTA-GUDVDZBRSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000494271683 429864856 /nfs/dbraw/zinc/86/48/56/429864856.db2.gz SAWPPLUMSPIYCF-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP COCC(C)(C)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000494338726 429867613 /nfs/dbraw/zinc/86/76/13/429867613.db2.gz LCYZLJOKVYIHDF-GOSISDBHSA-N 2 1 304.478 2.813 20 0 DFADMP COc1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cn1 ZINC000527844515 429808665 /nfs/dbraw/zinc/80/86/65/429808665.db2.gz ZOXQHPUOTJCUDA-SOLBZPMBSA-N 2 1 301.434 2.758 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528392787 429884293 /nfs/dbraw/zinc/88/42/93/429884293.db2.gz DJMWLSRYWXVQJS-BMGDILEWSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000528392787 429884294 /nfs/dbraw/zinc/88/42/94/429884294.db2.gz DJMWLSRYWXVQJS-BMGDILEWSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000528392787 429884295 /nfs/dbraw/zinc/88/42/95/429884295.db2.gz DJMWLSRYWXVQJS-BMGDILEWSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000528392787 429884297 /nfs/dbraw/zinc/88/42/97/429884297.db2.gz DJMWLSRYWXVQJS-BMGDILEWSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528392794 429884584 /nfs/dbraw/zinc/88/45/84/429884584.db2.gz DJMWLSRYWXVQJS-ZTFGCOKTSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000528392794 429884586 /nfs/dbraw/zinc/88/45/86/429884586.db2.gz DJMWLSRYWXVQJS-ZTFGCOKTSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000528392794 429884587 /nfs/dbraw/zinc/88/45/87/429884587.db2.gz DJMWLSRYWXVQJS-ZTFGCOKTSA-N 2 1 308.441 2.798 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000528392794 429884589 /nfs/dbraw/zinc/88/45/89/429884589.db2.gz DJMWLSRYWXVQJS-ZTFGCOKTSA-N 2 1 308.441 2.798 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)o1 ZINC000368755697 429891729 /nfs/dbraw/zinc/89/17/29/429891729.db2.gz CYWAAKVSIXAMDS-WBVHZDCISA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)o1 ZINC000368755697 429891731 /nfs/dbraw/zinc/89/17/31/429891731.db2.gz CYWAAKVSIXAMDS-WBVHZDCISA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)o1 ZINC000368755697 429891733 /nfs/dbraw/zinc/89/17/33/429891733.db2.gz CYWAAKVSIXAMDS-WBVHZDCISA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)o1 ZINC000368755697 429891735 /nfs/dbraw/zinc/89/17/35/429891735.db2.gz CYWAAKVSIXAMDS-WBVHZDCISA-N 2 1 319.449 2.537 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@@]2(C1)c1ccccc1NC2=O ZINC000368791810 429894042 /nfs/dbraw/zinc/89/40/42/429894042.db2.gz SKLHSFQPLFJGOW-LJQANCHMSA-N 2 1 324.428 2.568 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000368791810 429894043 /nfs/dbraw/zinc/89/40/43/429894043.db2.gz SKLHSFQPLFJGOW-LJQANCHMSA-N 2 1 324.428 2.568 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@]2(C1)C(=O)Nc1ccccc12 ZINC000368791810 429894044 /nfs/dbraw/zinc/89/40/44/429894044.db2.gz SKLHSFQPLFJGOW-LJQANCHMSA-N 2 1 324.428 2.568 20 0 DFADMP CC[C@@H](c1ccccc1F)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000368799233 429895045 /nfs/dbraw/zinc/89/50/45/429895045.db2.gz VNWCXDPZJNNSKA-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC(F)F ZINC000368843152 429898200 /nfs/dbraw/zinc/89/82/00/429898200.db2.gz CLSDQCRASMYPOR-GFCCVEGCSA-N 2 1 323.343 2.598 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@]3(CC[C@H](C)C3)C2)CC1 ZINC000369122240 429914320 /nfs/dbraw/zinc/91/43/20/429914320.db2.gz OFDQODWBCMBDIP-RBUKOAKNSA-N 2 1 307.526 2.915 20 0 DFADMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000369136844 429915526 /nfs/dbraw/zinc/91/55/26/429915526.db2.gz AKWYOSLOONSXAT-KRWDZBQOSA-N 2 1 311.429 2.707 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2cccn2C)CC1 ZINC000369207015 429919384 /nfs/dbraw/zinc/91/93/84/429919384.db2.gz WXRBYKCEDXEPHY-LJQANCHMSA-N 2 1 318.509 2.578 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccccc3F)C2)nc(C)[nH+]1 ZINC000369263743 429921959 /nfs/dbraw/zinc/92/19/59/429921959.db2.gz FWYPRUFGLVACSH-MRXNPFEDSA-N 2 1 314.408 2.991 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000369348040 429927623 /nfs/dbraw/zinc/92/76/23/429927623.db2.gz GUNISXKJLTXSQQ-HSALFYBXSA-N 2 1 316.489 2.975 20 0 DFADMP C(C[NH+]1CCCC12CCOCC2)C[N@H+]1CCCC12CCOCC2 ZINC000368577095 429870199 /nfs/dbraw/zinc/87/01/99/429870199.db2.gz SCTHHUZDPALTAM-UHFFFAOYSA-N 2 1 322.493 2.667 20 0 DFADMP Cc1nccn1CC[N@H+]1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000494416237 429871196 /nfs/dbraw/zinc/87/11/96/429871196.db2.gz CNWSMJNDKWQRNV-KGLIPLIRSA-N 2 1 322.453 2.521 20 0 DFADMP Cc1nccn1CCN1CCN(C(=O)OC(C)(C)C)[C@@H](C)[C@H]1C ZINC000494416237 429871199 /nfs/dbraw/zinc/87/11/99/429871199.db2.gz CNWSMJNDKWQRNV-KGLIPLIRSA-N 2 1 322.453 2.521 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000494481735 429875893 /nfs/dbraw/zinc/87/58/93/429875893.db2.gz BRMLDMLNGSGPEB-SJORKVTESA-N 2 1 304.478 2.894 20 0 DFADMP Cc1cc(NC(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)c(C)cn1 ZINC000529042193 429954917 /nfs/dbraw/zinc/95/49/17/429954917.db2.gz SFRWBJWAXATCKL-MRXNPFEDSA-N 2 1 316.449 2.649 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1n1ccnc1 ZINC000369484533 429955208 /nfs/dbraw/zinc/95/52/08/429955208.db2.gz NIFPGWFLGWYPQE-XJKSGUPXSA-N 2 1 311.389 2.949 20 0 DFADMP COc1ncc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1Cl ZINC000639756690 429971467 /nfs/dbraw/zinc/97/14/67/429971467.db2.gz BWASEFIZSAHYDK-UHFFFAOYSA-N 2 1 309.841 2.661 20 0 DFADMP COC[C@@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000573676184 429971632 /nfs/dbraw/zinc/97/16/32/429971632.db2.gz GPHWAKUIOKCCOH-IBGZPJMESA-N 2 1 320.477 2.548 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000573711275 429975267 /nfs/dbraw/zinc/97/52/67/429975267.db2.gz ANSOTHRCPAVLTA-KSSFIOAISA-N 2 1 313.449 2.826 20 0 DFADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000573263362 429939503 /nfs/dbraw/zinc/93/95/03/429939503.db2.gz XGSQFNPERQOFRE-SJLPKXTDSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccccc1C)C(C)(C)C ZINC000573263362 429939506 /nfs/dbraw/zinc/93/95/06/429939506.db2.gz XGSQFNPERQOFRE-SJLPKXTDSA-N 2 1 322.493 2.611 20 0 DFADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000573305629 429942987 /nfs/dbraw/zinc/94/29/87/429942987.db2.gz FGEHQTRSAWNHHF-PSBWJHGTSA-N 3 1 301.478 2.834 20 0 DFADMP c1cc(N2CCC[N@H+](CCOCC3CCCC3)CC2)cc[nH+]1 ZINC000639682825 429943355 /nfs/dbraw/zinc/94/33/55/429943355.db2.gz ABOGXHYCSKFWNZ-UHFFFAOYSA-N 2 1 303.450 2.801 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682226 429944831 /nfs/dbraw/zinc/94/48/31/429944831.db2.gz NVOLBQPDOADUOR-MRXNPFEDSA-N 2 1 324.428 2.621 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682226 429944834 /nfs/dbraw/zinc/94/48/34/429944834.db2.gz NVOLBQPDOADUOR-MRXNPFEDSA-N 2 1 324.428 2.621 20 0 DFADMP C[N@@H+](CCN1CCCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000639683955 429945874 /nfs/dbraw/zinc/94/58/74/429945874.db2.gz PEDPPHUTBCLIMT-UHFFFAOYSA-N 2 1 324.472 2.726 20 0 DFADMP CN(CC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000639683955 429945875 /nfs/dbraw/zinc/94/58/75/429945875.db2.gz PEDPPHUTBCLIMT-UHFFFAOYSA-N 2 1 324.472 2.726 20 0 DFADMP CN(CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1)Cc1ccccc1 ZINC000639683955 429945877 /nfs/dbraw/zinc/94/58/77/429945877.db2.gz PEDPPHUTBCLIMT-UHFFFAOYSA-N 2 1 324.472 2.726 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000560343208 430033138 /nfs/dbraw/zinc/03/31/38/430033138.db2.gz VCWUKFQTVYRCGW-JTDSTZFVSA-N 2 1 322.468 2.687 20 0 DFADMP Cc1ccc(C[NH3+])cc1-c1ccccc1CN1CC[NH+](C)CC1 ZINC000634576385 430041070 /nfs/dbraw/zinc/04/10/70/430041070.db2.gz PYWROAGILASGLU-UHFFFAOYSA-N 2 1 309.457 2.868 20 0 DFADMP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000574462317 430043704 /nfs/dbraw/zinc/04/37/04/430043704.db2.gz DZHUJCGGUACGQZ-QGZVFWFLSA-N 2 1 307.438 2.551 20 0 DFADMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000574462317 430043708 /nfs/dbraw/zinc/04/37/08/430043708.db2.gz DZHUJCGGUACGQZ-QGZVFWFLSA-N 2 1 307.438 2.551 20 0 DFADMP Cn1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000574453584 430043722 /nfs/dbraw/zinc/04/37/22/430043722.db2.gz TZAAJPXYELCMND-HKUYNNGSSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1ccc(C[N@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000574453584 430043725 /nfs/dbraw/zinc/04/37/25/430043725.db2.gz TZAAJPXYELCMND-HKUYNNGSSA-N 2 1 312.461 2.592 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCn2nc(C)cc2C)CC1 ZINC000639988051 430046850 /nfs/dbraw/zinc/04/68/50/430046850.db2.gz MTXPFTFUEREXJI-UHFFFAOYSA-N 2 1 304.482 2.840 20 0 DFADMP C[N@H+](Cc1ccns1)Cc1ccc(CN2CCOCC2)cc1 ZINC000639808604 429987753 /nfs/dbraw/zinc/98/77/53/429987753.db2.gz MEAQOYNETRGVOG-UHFFFAOYSA-N 2 1 317.458 2.607 20 0 DFADMP C[N@@H+](Cc1ccns1)Cc1ccc(CN2CCOCC2)cc1 ZINC000639808604 429987759 /nfs/dbraw/zinc/98/77/59/429987759.db2.gz MEAQOYNETRGVOG-UHFFFAOYSA-N 2 1 317.458 2.607 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990027 /nfs/dbraw/zinc/99/00/27/429990027.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990029 /nfs/dbraw/zinc/99/00/29/429990029.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990033 /nfs/dbraw/zinc/99/00/33/429990033.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 2 1 315.505 2.889 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990036 /nfs/dbraw/zinc/99/00/36/429990036.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 2 1 315.505 2.889 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748960 429990040 /nfs/dbraw/zinc/99/00/40/429990040.db2.gz MCONTTGQWRRCND-SXLOBPIMSA-N 2 1 315.505 2.889 20 0 DFADMP CC1=CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000560484189 430048033 /nfs/dbraw/zinc/04/80/33/430048033.db2.gz MPQKNIMTYHARRD-MOPGFXCFSA-N 2 1 300.446 2.712 20 0 DFADMP CC1=CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000560484189 430048037 /nfs/dbraw/zinc/04/80/37/430048037.db2.gz MPQKNIMTYHARRD-MOPGFXCFSA-N 2 1 300.446 2.712 20 0 DFADMP c1cn(-c2ccc(C[N@@H+]3CCC[C@H]3c3ncccn3)cc2)cn1 ZINC000639845925 430001347 /nfs/dbraw/zinc/00/13/47/430001347.db2.gz OEHTXULHUNMNLA-KRWDZBQOSA-N 2 1 305.385 2.999 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]3c3ncccn3)cc2)cn1 ZINC000639845925 430001352 /nfs/dbraw/zinc/00/13/52/430001352.db2.gz OEHTXULHUNMNLA-KRWDZBQOSA-N 2 1 305.385 2.999 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000559248193 430001542 /nfs/dbraw/zinc/00/15/42/430001542.db2.gz SEYMRAATTPDSBQ-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000559248193 430001545 /nfs/dbraw/zinc/00/15/45/430001545.db2.gz SEYMRAATTPDSBQ-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000559248193 430001550 /nfs/dbraw/zinc/00/15/50/430001550.db2.gz SEYMRAATTPDSBQ-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2csc3ccccc23)CC1 ZINC000574172696 430018895 /nfs/dbraw/zinc/01/88/95/430018895.db2.gz UXNGHYDOLYZKEU-UHFFFAOYSA-N 2 1 304.459 2.838 20 0 DFADMP Cn1c2ccc(C[NH2+][C@@H](C[NH3+])C3CCCCC3)cc2sc1=O ZINC000574174994 430019162 /nfs/dbraw/zinc/01/91/62/430019162.db2.gz JRRXRPVCJMCVEP-AWEZNQCLSA-N 2 1 319.474 2.597 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639920672 430022420 /nfs/dbraw/zinc/02/24/20/430022420.db2.gz ZBGCSZWWMYVXTO-CZUORRHYSA-N 2 1 314.832 2.977 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639920672 430022425 /nfs/dbraw/zinc/02/24/25/430022425.db2.gz ZBGCSZWWMYVXTO-CZUORRHYSA-N 2 1 314.832 2.977 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(OC)c1OC ZINC000634732624 430092975 /nfs/dbraw/zinc/09/29/75/430092975.db2.gz KOINVODMGFEMRB-AWEZNQCLSA-N 2 1 322.449 2.580 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000634732808 430093811 /nfs/dbraw/zinc/09/38/11/430093811.db2.gz PHFXLKMDCOKOFL-OAHLLOKOSA-N 2 1 304.434 2.716 20 0 DFADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1C1CCCCC1 ZINC000530127208 430099630 /nfs/dbraw/zinc/09/96/30/430099630.db2.gz XSJFLMLORLOJDS-SFHVURJKSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@@H](C[N@H+](CC[C@H]1CCC[NH+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916422 430102987 /nfs/dbraw/zinc/10/29/87/430102987.db2.gz AKHRWUIXMYXYRM-JENIJYKNSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H](C[NH+](CC[C@H]1CCC[N@@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916422 430102991 /nfs/dbraw/zinc/10/29/91/430102991.db2.gz AKHRWUIXMYXYRM-JENIJYKNSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H](C[NH+](CC[C@H]1CCC[N@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916422 430102995 /nfs/dbraw/zinc/10/29/95/430102995.db2.gz AKHRWUIXMYXYRM-JENIJYKNSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000530354791 430112322 /nfs/dbraw/zinc/11/23/22/430112322.db2.gz BFSMLIMBYLOMGW-SJLPKXTDSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000530354791 430112325 /nfs/dbraw/zinc/11/23/25/430112325.db2.gz BFSMLIMBYLOMGW-SJLPKXTDSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)N(C)c1ccccc1 ZINC000560513866 430052187 /nfs/dbraw/zinc/05/21/87/430052187.db2.gz IWFFNPCQIIRGJN-LULLPPNCSA-N 2 1 301.478 2.974 20 0 DFADMP CC1(C)C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000634678376 430073274 /nfs/dbraw/zinc/07/32/74/430073274.db2.gz QVHBJIPCZUZUAY-GOSISDBHSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H]1CC[C@H](C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)O1 ZINC000634687859 430077287 /nfs/dbraw/zinc/07/72/87/430077287.db2.gz BJYIWHWSBQYBIU-BPQIPLTHSA-N 2 1 303.450 2.593 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)O1 ZINC000634687859 430077292 /nfs/dbraw/zinc/07/72/92/430077292.db2.gz BJYIWHWSBQYBIU-BPQIPLTHSA-N 2 1 303.450 2.593 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000580918904 430162829 /nfs/dbraw/zinc/16/28/29/430162829.db2.gz JWJHUPMGWWXPQJ-CYBMUJFWSA-N 2 1 306.841 2.808 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000580918904 430162831 /nfs/dbraw/zinc/16/28/31/430162831.db2.gz JWJHUPMGWWXPQJ-CYBMUJFWSA-N 2 1 306.841 2.808 20 0 DFADMP C[NH+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000637930974 430175265 /nfs/dbraw/zinc/17/52/65/430175265.db2.gz WTFSCPOLFIPSFR-ZWKOTPCHSA-N 2 1 301.478 2.787 20 0 DFADMP C[NH+](C[C@H]1CCN(c2ccccc2)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000637930974 430175269 /nfs/dbraw/zinc/17/52/69/430175269.db2.gz WTFSCPOLFIPSFR-ZWKOTPCHSA-N 2 1 301.478 2.787 20 0 DFADMP CN(Cc1ccccc1OCCCCO)C[C@H]1CCC[N@@H+](C)C1 ZINC000637931015 430176464 /nfs/dbraw/zinc/17/64/64/430176464.db2.gz XTHKKECIQCXKRO-KRWDZBQOSA-N 2 1 320.477 2.612 20 0 DFADMP COc1cc(OC)c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000562303224 430117677 /nfs/dbraw/zinc/11/76/77/430117677.db2.gz PEHDDKCDIXHHKL-LLVKDONJSA-N 2 1 323.824 2.984 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@]2(C)C2CCCCC2)CC1 ZINC000640221196 430118312 /nfs/dbraw/zinc/11/83/12/430118312.db2.gz UHYWPZLSKNDDNI-IBGZPJMESA-N 2 1 321.509 2.632 20 0 DFADMP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]1CCc2ccccc2C1 ZINC000562442565 430132506 /nfs/dbraw/zinc/13/25/06/430132506.db2.gz UKSVWRFINJIJSZ-MOPGFXCFSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@@H]1CCc2ccccc2C1 ZINC000562442565 430132510 /nfs/dbraw/zinc/13/25/10/430132510.db2.gz UKSVWRFINJIJSZ-MOPGFXCFSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@@H]1CCc2ccccc2C1 ZINC000562442565 430132517 /nfs/dbraw/zinc/13/25/17/430132517.db2.gz UKSVWRFINJIJSZ-MOPGFXCFSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCc2ccccc2C1 ZINC000562442565 430132519 /nfs/dbraw/zinc/13/25/19/430132519.db2.gz UKSVWRFINJIJSZ-MOPGFXCFSA-N 2 1 304.478 2.569 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccncc1)c1cccs1 ZINC000580551779 430134472 /nfs/dbraw/zinc/13/44/72/430134472.db2.gz GPQBFDPZFWVTSS-MRXNPFEDSA-N 2 1 312.442 2.993 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000580554570 430134558 /nfs/dbraw/zinc/13/45/58/430134558.db2.gz XXJPHWYJTUOJGM-CQSZACIVSA-N 2 1 323.868 2.990 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)C[N@H+](C)CCc1ccccc1 ZINC000637808514 430135692 /nfs/dbraw/zinc/13/56/92/430135692.db2.gz JEPXGEZKBVBWNH-UHFFFAOYSA-N 2 1 311.429 2.519 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)C[N@@H+](C)CCc1ccccc1 ZINC000637808514 430135694 /nfs/dbraw/zinc/13/56/94/430135694.db2.gz JEPXGEZKBVBWNH-UHFFFAOYSA-N 2 1 311.429 2.519 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH3+])c2ccc(C(C)C)cc2)CC[N@H+]1C ZINC000637830682 430139835 /nfs/dbraw/zinc/13/98/35/430139835.db2.gz CIZNJGBRTJGZCT-RCCFBDPRSA-N 2 1 317.477 2.656 20 0 DFADMP C[N@@H+](C[C@@H]1CCCC[C@H]1O)C1CCN(CCC(F)(F)F)CC1 ZINC000562554009 430146592 /nfs/dbraw/zinc/14/65/92/430146592.db2.gz OBYGHSWUWZLZAZ-DZGCQCFKSA-N 2 1 322.415 2.886 20 0 DFADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563364717 430184069 /nfs/dbraw/zinc/18/40/69/430184069.db2.gz JFKCWQRSMOBFOK-CABCVRRESA-N 2 1 321.465 2.795 20 0 DFADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000563364717 430184073 /nfs/dbraw/zinc/18/40/73/430184073.db2.gz JFKCWQRSMOBFOK-CABCVRRESA-N 2 1 321.465 2.795 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000246886845 277051482 /nfs/dbraw/zinc/05/14/82/277051482.db2.gz DMNOFFYZULOQQY-IBGZPJMESA-N 2 1 301.478 2.681 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000634997288 430186622 /nfs/dbraw/zinc/18/66/22/430186622.db2.gz IDHNQGSHFCFQBQ-KCPJHIHWSA-N 2 1 316.367 2.859 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000634994648 430187415 /nfs/dbraw/zinc/18/74/15/430187415.db2.gz JOQAFQNJEFXICN-LJQANCHMSA-N 2 1 308.429 2.516 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000634994648 430187421 /nfs/dbraw/zinc/18/74/21/430187421.db2.gz JOQAFQNJEFXICN-LJQANCHMSA-N 2 1 308.429 2.516 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979654 430194760 /nfs/dbraw/zinc/19/47/60/430194760.db2.gz UZIQIPQFXNEHBI-DOTOQJQBSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979654 430194764 /nfs/dbraw/zinc/19/47/64/430194764.db2.gz UZIQIPQFXNEHBI-DOTOQJQBSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979654 430194776 /nfs/dbraw/zinc/19/47/76/430194776.db2.gz UZIQIPQFXNEHBI-DOTOQJQBSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979654 430194778 /nfs/dbraw/zinc/19/47/78/430194778.db2.gz UZIQIPQFXNEHBI-DOTOQJQBSA-N 2 1 303.450 2.874 20 0 DFADMP Nc1ccc(-c2cccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC000634995150 430187704 /nfs/dbraw/zinc/18/77/04/430187704.db2.gz WOSUZNSQDNLASU-YJBOKZPZSA-N 2 1 308.429 2.515 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)n2)cc1 ZINC000634995150 430187707 /nfs/dbraw/zinc/18/77/07/430187707.db2.gz WOSUZNSQDNLASU-YJBOKZPZSA-N 2 1 308.429 2.515 20 0 DFADMP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000634997991 430190286 /nfs/dbraw/zinc/19/02/86/430190286.db2.gz XYGUBNXQQSGIFE-RBOXIYTFSA-N 2 1 314.832 2.880 20 0 DFADMP CCCC1CCC(C[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000635000326 430190640 /nfs/dbraw/zinc/19/06/40/430190640.db2.gz MHQUAFSXXPNUPC-VMBOVVBDSA-N 2 1 305.470 2.590 20 0 DFADMP OCC[NH2+]C1CC[NH+](Cc2cccc(C3CCCC3)c2)CC1 ZINC000635002273 430191266 /nfs/dbraw/zinc/19/12/66/430191266.db2.gz NDINTUOFGFRPDK-UHFFFAOYSA-N 2 1 302.462 2.891 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530163 430192105 /nfs/dbraw/zinc/19/21/05/430192105.db2.gz AJAVMHSVGVVRRY-DLBZAZTESA-N 2 1 311.514 2.878 20 0 DFADMP Cc1cc(NC(=O)[C@@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)on1 ZINC000640532404 430192447 /nfs/dbraw/zinc/19/24/47/430192447.db2.gz ZQHVIMFPJVQPOI-OAHLLOKOSA-N 2 1 322.453 2.508 20 0 DFADMP Cc1cc(NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)on1 ZINC000640532404 430192451 /nfs/dbraw/zinc/19/24/51/430192451.db2.gz ZQHVIMFPJVQPOI-OAHLLOKOSA-N 2 1 322.453 2.508 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004998 430193209 /nfs/dbraw/zinc/19/32/09/430193209.db2.gz RTWMPFIFTCPDMP-SKPIHXQZSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004998 430193214 /nfs/dbraw/zinc/19/32/14/430193214.db2.gz RTWMPFIFTCPDMP-SKPIHXQZSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004998 430193217 /nfs/dbraw/zinc/19/32/17/430193217.db2.gz RTWMPFIFTCPDMP-SKPIHXQZSA-N 3 1 313.489 2.627 20 0 DFADMP CC(C)Cc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000581262474 430193506 /nfs/dbraw/zinc/19/35/06/430193506.db2.gz XOCPKMVLYRWERU-UHFFFAOYSA-N 2 1 304.478 2.822 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@H]2CCC[C@@H]21 ZINC000353630063 277172117 /nfs/dbraw/zinc/17/21/17/277172117.db2.gz LTXXMOADTCSZPD-VKZRIFJHSA-N 2 1 320.502 2.998 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCO[C@@H](C)C3)CCCC2)CC1 ZINC000359395823 277194361 /nfs/dbraw/zinc/19/43/61/277194361.db2.gz VRKQDQHTHCFSLT-HOTGVXAUSA-N 2 1 310.482 2.567 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953380 430196497 /nfs/dbraw/zinc/19/64/97/430196497.db2.gz KJHYEKUEYZUDKB-LSDHHAIUSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953380 430196501 /nfs/dbraw/zinc/19/65/01/430196501.db2.gz KJHYEKUEYZUDKB-LSDHHAIUSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953380 430196504 /nfs/dbraw/zinc/19/65/04/430196504.db2.gz KJHYEKUEYZUDKB-LSDHHAIUSA-N 2 1 316.367 2.813 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000635013687 430198816 /nfs/dbraw/zinc/19/88/16/430198816.db2.gz VCKWLSNCPAEJGK-FHWLQOOXSA-N 2 1 301.478 2.676 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCCC[C@H]3C[NH3+])C2)cc1 ZINC000635013687 430198821 /nfs/dbraw/zinc/19/88/21/430198821.db2.gz VCKWLSNCPAEJGK-FHWLQOOXSA-N 2 1 301.478 2.676 20 0 DFADMP CC(C)c1nc(C2CC[NH+](CCCc3c[nH+]cn3C)CC2)no1 ZINC000581615357 430225017 /nfs/dbraw/zinc/22/50/17/430225017.db2.gz DDHCITIJOSAUKM-UHFFFAOYSA-N 2 1 317.437 2.739 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000638061984 430223873 /nfs/dbraw/zinc/22/38/73/430223873.db2.gz BUKNDYVJTWSQRV-GJZGRUSLSA-N 2 1 303.450 2.998 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000638062985 430224466 /nfs/dbraw/zinc/22/44/66/430224466.db2.gz KVRVPGQFEFBJCZ-HZPDHXFCSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CC3CCC(C)CC3)C2)CC1 ZINC000542507783 430213131 /nfs/dbraw/zinc/21/31/31/430213131.db2.gz MCRBUZNSYJJPQL-ACBHZAAOSA-N 2 1 307.526 2.913 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)c1 ZINC000635263839 430241639 /nfs/dbraw/zinc/24/16/39/430241639.db2.gz BWBAEPSOIGUGIW-KRWDZBQOSA-N 2 1 301.434 2.704 20 0 DFADMP COc1ccc(C[NH+](C)C)cc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635266874 430242303 /nfs/dbraw/zinc/24/23/03/430242303.db2.gz RPNGKBCPFFZLSI-UHFFFAOYSA-N 2 1 321.465 2.673 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000635280743 430244957 /nfs/dbraw/zinc/24/49/57/430244957.db2.gz WCCHVEACPSOMAT-GOEBONIOSA-N 2 1 323.506 2.589 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCCCCO)C1 ZINC000638134276 430247746 /nfs/dbraw/zinc/24/77/46/430247746.db2.gz NRUHPEAIDAYRQD-KRWDZBQOSA-N 2 1 320.477 2.612 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCCCCO)C1 ZINC000638134276 430247750 /nfs/dbraw/zinc/24/77/50/430247750.db2.gz NRUHPEAIDAYRQD-KRWDZBQOSA-N 2 1 320.477 2.612 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCCCCO)C1 ZINC000638134276 430247755 /nfs/dbraw/zinc/24/77/55/430247755.db2.gz NRUHPEAIDAYRQD-KRWDZBQOSA-N 2 1 320.477 2.612 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C1 ZINC000638134276 430247758 /nfs/dbraw/zinc/24/77/58/430247758.db2.gz NRUHPEAIDAYRQD-KRWDZBQOSA-N 2 1 320.477 2.612 20 0 DFADMP CC(C)c1[nH+]c(CNC[C@@H]2CCC[N@H+](C)C2)c2ccccn21 ZINC000581888494 430248389 /nfs/dbraw/zinc/24/83/89/430248389.db2.gz IOXBBLLRLXMCDK-HNNXBMFYSA-N 2 1 300.450 2.889 20 0 DFADMP CC(C)c1[nH+]c(CNC[C@@H]2CCC[N@@H+](C)C2)c2ccccn21 ZINC000581888494 430248396 /nfs/dbraw/zinc/24/83/96/430248396.db2.gz IOXBBLLRLXMCDK-HNNXBMFYSA-N 2 1 300.450 2.889 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000543603560 430254949 /nfs/dbraw/zinc/25/49/49/430254949.db2.gz WPUWEMZJXSUJFL-KRWDZBQOSA-N 2 1 316.449 2.601 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)CCCc1cncn1C ZINC000566417383 430257315 /nfs/dbraw/zinc/25/73/15/430257315.db2.gz UPTJOPAJDPDBEJ-UHFFFAOYSA-N 3 1 303.454 2.524 20 0 DFADMP CCCn1ccnc1CCC[N@H+](C)CCCc1c[nH+]cn1C ZINC000566417383 430257319 /nfs/dbraw/zinc/25/73/19/430257319.db2.gz UPTJOPAJDPDBEJ-UHFFFAOYSA-N 3 1 303.454 2.524 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566417383 430257324 /nfs/dbraw/zinc/25/73/24/430257324.db2.gz UPTJOPAJDPDBEJ-UHFFFAOYSA-N 2 1 303.454 2.524 20 0 DFADMP C[C@@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000566414674 430258287 /nfs/dbraw/zinc/25/82/87/430258287.db2.gz SJWFODYNTVZTHU-FPTDNZKUSA-N 2 1 319.474 2.783 20 0 DFADMP C[C@@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566414674 430258291 /nfs/dbraw/zinc/25/82/91/430258291.db2.gz SJWFODYNTVZTHU-FPTDNZKUSA-N 2 1 319.474 2.783 20 0 DFADMP C[NH+](C)CCOc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000635360430 430261246 /nfs/dbraw/zinc/26/12/46/430261246.db2.gz IODRJPJGXWHVSG-UHFFFAOYSA-N 2 1 321.465 2.543 20 0 DFADMP OC1(C[NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CCCC1 ZINC000565712912 430225279 /nfs/dbraw/zinc/22/52/79/430225279.db2.gz WLRUAMRQGNDXRI-HNNXBMFYSA-N 2 1 308.491 2.855 20 0 DFADMP OC1(C[NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CCCC1 ZINC000565712912 430225282 /nfs/dbraw/zinc/22/52/82/430225282.db2.gz WLRUAMRQGNDXRI-HNNXBMFYSA-N 2 1 308.491 2.855 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000581654651 430229266 /nfs/dbraw/zinc/22/92/66/430229266.db2.gz IRHQMWNAYNYQGL-HOTGVXAUSA-N 2 1 320.477 2.875 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@H+](C)C1CC1 ZINC000581735434 430237123 /nfs/dbraw/zinc/23/71/23/430237123.db2.gz QEBJUNJXUIMDKU-LRDDRELGSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)[N@@H+](C)C1CC1 ZINC000581735434 430237126 /nfs/dbraw/zinc/23/71/26/430237126.db2.gz QEBJUNJXUIMDKU-LRDDRELGSA-N 2 1 323.868 2.542 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(OC)cccc2OC)[C@@H](C)C1 ZINC000638110981 430239112 /nfs/dbraw/zinc/23/91/12/430239112.db2.gz ATTPQWCABCCBST-GOEBONIOSA-N 2 1 306.450 2.866 20 0 DFADMP c1ccc(N2CC[C@@H](C[N@H+]3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113327 430239857 /nfs/dbraw/zinc/23/98/57/430239857.db2.gz RSPIEMGAFYOTEU-OALUTQOASA-N 2 1 313.489 2.931 20 0 DFADMP c1ccc(N2CC[C@H](C[N@H+]3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000638113329 430240388 /nfs/dbraw/zinc/24/03/88/430240388.db2.gz RSPIEMGAFYOTEU-RTBURBONSA-N 2 1 313.489 2.931 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CC[NH+](C)C3)c2C1 ZINC000635483081 430291086 /nfs/dbraw/zinc/29/10/86/430291086.db2.gz NAHADFGMVOVCKE-AWEZNQCLSA-N 2 1 301.434 2.693 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CC[NH+](C)C3)c2C1 ZINC000635483081 430291089 /nfs/dbraw/zinc/29/10/89/430291089.db2.gz NAHADFGMVOVCKE-AWEZNQCLSA-N 2 1 301.434 2.693 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)C[C@@H]3CC[N@H+](C)C3)c2C1 ZINC000635483081 430291094 /nfs/dbraw/zinc/29/10/94/430291094.db2.gz NAHADFGMVOVCKE-AWEZNQCLSA-N 2 1 301.434 2.693 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)c2C1 ZINC000635483081 430291097 /nfs/dbraw/zinc/29/10/97/430291097.db2.gz NAHADFGMVOVCKE-AWEZNQCLSA-N 2 1 301.434 2.693 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000582414439 430296741 /nfs/dbraw/zinc/29/67/41/430296741.db2.gz OFROCXQDYWWFHI-DLBZAZTESA-N 2 1 302.466 2.822 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000638304266 430298742 /nfs/dbraw/zinc/29/87/42/430298742.db2.gz ZHHGNMFPPLMPHB-RHSMWYFYSA-N 2 1 306.475 2.502 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638303509 430298915 /nfs/dbraw/zinc/29/89/15/430298915.db2.gz REDVPFBSHGFOIB-CYBMUJFWSA-N 2 1 313.392 2.598 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638303509 430298918 /nfs/dbraw/zinc/29/89/18/430298918.db2.gz REDVPFBSHGFOIB-CYBMUJFWSA-N 2 1 313.392 2.598 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000638305440 430299524 /nfs/dbraw/zinc/29/95/24/430299524.db2.gz XLKHNHNHIZADCL-WMLDXEAASA-N 2 1 306.475 2.502 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000582546329 430311089 /nfs/dbraw/zinc/31/10/89/430311089.db2.gz NCIRHIHWSHTYSV-UHFFFAOYSA-N 2 1 300.450 2.637 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000582546329 430311091 /nfs/dbraw/zinc/31/10/91/430311091.db2.gz NCIRHIHWSHTYSV-UHFFFAOYSA-N 2 1 300.450 2.637 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)C1CCCC1 ZINC000568103716 430318846 /nfs/dbraw/zinc/31/88/46/430318846.db2.gz IKYJZNDJAKTMMF-LJQANCHMSA-N 2 1 304.478 2.786 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccccc1)C1CCCC1 ZINC000568103716 430318848 /nfs/dbraw/zinc/31/88/48/430318848.db2.gz IKYJZNDJAKTMMF-LJQANCHMSA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccccc1)C1CCCC1 ZINC000568103716 430318852 /nfs/dbraw/zinc/31/88/52/430318852.db2.gz IKYJZNDJAKTMMF-LJQANCHMSA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1 ZINC000568103716 430318855 /nfs/dbraw/zinc/31/88/55/430318855.db2.gz IKYJZNDJAKTMMF-LJQANCHMSA-N 2 1 304.478 2.786 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000568103736 430319024 /nfs/dbraw/zinc/31/90/24/430319024.db2.gz IYPFJCPNGVSHIV-NVXWUHKLSA-N 2 1 311.429 2.972 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](CC(C)C)n2ccnc2)[C@H](C)C1 ZINC000635603093 430319949 /nfs/dbraw/zinc/31/99/49/430319949.db2.gz LXOZJCIIOYURCL-IKGGRYGDSA-N 2 1 320.481 2.659 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000568166124 430322147 /nfs/dbraw/zinc/32/21/47/430322147.db2.gz DDGJUCIGXYJHTR-VDNDLQMASA-N 2 1 310.869 2.939 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000568166124 430322155 /nfs/dbraw/zinc/32/21/55/430322155.db2.gz DDGJUCIGXYJHTR-VDNDLQMASA-N 2 1 310.869 2.939 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@H]1C ZINC000568166124 430322157 /nfs/dbraw/zinc/32/21/57/430322157.db2.gz DDGJUCIGXYJHTR-VDNDLQMASA-N 2 1 310.869 2.939 20 0 DFADMP OCCCCOc1ccccc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000638376752 430322303 /nfs/dbraw/zinc/32/23/03/430322303.db2.gz LOGVYNNFCCTNKY-ROUUACIJSA-N 2 1 318.461 2.554 20 0 DFADMP OCCCCOc1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000638376752 430322308 /nfs/dbraw/zinc/32/23/08/430322308.db2.gz LOGVYNNFCCTNKY-ROUUACIJSA-N 2 1 318.461 2.554 20 0 DFADMP CCCc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C(C)C)cc1 ZINC000545867500 430329478 /nfs/dbraw/zinc/32/94/78/430329478.db2.gz WHAUXYFTSKYCCA-MOPGFXCFSA-N 2 1 304.478 2.992 20 0 DFADMP CCCc1ccc([C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C(C)C)cc1 ZINC000545867500 430329481 /nfs/dbraw/zinc/32/94/81/430329481.db2.gz WHAUXYFTSKYCCA-MOPGFXCFSA-N 2 1 304.478 2.992 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000635638194 430331913 /nfs/dbraw/zinc/33/19/13/430331913.db2.gz QZWNSKZQUGKYJV-HOTGVXAUSA-N 2 1 323.868 2.543 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545933556 430335657 /nfs/dbraw/zinc/33/56/57/430335657.db2.gz YXBDBEWLBCJSCC-LSDHHAIUSA-N 2 1 322.415 2.886 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@@](C)(O)C(F)(F)F)CC1 ZINC000545933556 430335659 /nfs/dbraw/zinc/33/56/59/430335659.db2.gz YXBDBEWLBCJSCC-LSDHHAIUSA-N 2 1 322.415 2.886 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638450782 430347095 /nfs/dbraw/zinc/34/70/95/430347095.db2.gz HMJOWOLUXXRLHY-QZTJIDSGSA-N 2 1 301.478 2.834 20 0 DFADMP CO[C@H](C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H]1CCOC1 ZINC000638725668 430418611 /nfs/dbraw/zinc/41/86/11/430418611.db2.gz HEIRFMXWRIYNLX-NZSAHSFTSA-N 2 1 320.477 2.538 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000569017755 430416417 /nfs/dbraw/zinc/41/64/17/430416417.db2.gz WFLDEZVYWFUALF-HNNXBMFYSA-N 2 1 315.461 2.871 20 0 DFADMP Fc1ccc2ccc(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)nc2c1F ZINC000638496505 430358921 /nfs/dbraw/zinc/35/89/21/430358921.db2.gz SJQLRMVBAXWGMK-CYBMUJFWSA-N 2 1 314.339 2.814 20 0 DFADMP CC(C)C[C@H](C(=O)NC[C@H]1CCC[N@H+]1CC(C)C)n1ccnc1 ZINC000635729050 430361629 /nfs/dbraw/zinc/36/16/29/430361629.db2.gz ZNYALRVNXCVJGX-IAGOWNOFSA-N 2 1 320.481 2.707 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]CCC3CCOCC3)C2)cc1 ZINC000638522196 430366086 /nfs/dbraw/zinc/36/60/86/430366086.db2.gz YDUNZKULXLOBFB-FQEVSTJZSA-N 2 1 316.489 2.957 20 0 DFADMP CCC[C@@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521306 430366577 /nfs/dbraw/zinc/36/65/77/430366577.db2.gz GKIJCECOKDENHP-MOPGFXCFSA-N 2 1 304.478 2.956 20 0 DFADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000547281424 430381976 /nfs/dbraw/zinc/38/19/76/430381976.db2.gz AEIFUEDOCULHLC-ROUUACIJSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000547281424 430381978 /nfs/dbraw/zinc/38/19/78/430381978.db2.gz AEIFUEDOCULHLC-ROUUACIJSA-N 2 1 324.896 2.953 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000568740305 430386072 /nfs/dbraw/zinc/38/60/72/430386072.db2.gz FEMUPDZMUJCOCP-GXTWGEPZSA-N 2 1 309.841 2.741 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638606984 430386720 /nfs/dbraw/zinc/38/67/20/430386720.db2.gz BOPMDSMHXCDHHS-YTQUADARSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638606984 430386725 /nfs/dbraw/zinc/38/67/25/430386725.db2.gz BOPMDSMHXCDHHS-YTQUADARSA-N 2 1 302.462 2.961 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(-n2cccn2)cc1 ZINC000583329774 430387156 /nfs/dbraw/zinc/38/71/56/430387156.db2.gz BHGVJPXRCWUDPU-HNNXBMFYSA-N 2 1 309.417 2.889 20 0 DFADMP Cn1c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc2ccccc21 ZINC000638617767 430390797 /nfs/dbraw/zinc/39/07/97/430390797.db2.gz BDYVMQUZHPUPDY-KRWDZBQOSA-N 2 1 315.461 2.505 20 0 DFADMP O=C(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000568856588 430398937 /nfs/dbraw/zinc/39/89/37/430398937.db2.gz ZCXMSDVBQMRJDJ-BZUAXINKSA-N 2 1 321.852 2.789 20 0 DFADMP C[C@@H](Nc1cc[nH+]cc1Br)C(C)(C)C[NH+](C)C ZINC000547502910 430400180 /nfs/dbraw/zinc/40/01/80/430400180.db2.gz KWCZZWPIOIIJLC-SNVBAGLBSA-N 2 1 300.244 2.654 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497164 430401267 /nfs/dbraw/zinc/40/12/67/430401267.db2.gz YAERBCNTOXRESZ-UABRLCRWSA-N 2 1 303.450 2.767 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497164 430401269 /nfs/dbraw/zinc/40/12/69/430401269.db2.gz YAERBCNTOXRESZ-UABRLCRWSA-N 2 1 303.450 2.767 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497164 430401272 /nfs/dbraw/zinc/40/12/72/430401272.db2.gz YAERBCNTOXRESZ-UABRLCRWSA-N 2 1 303.450 2.767 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497166 430401560 /nfs/dbraw/zinc/40/15/60/430401560.db2.gz YAERBCNTOXRESZ-XTKXOIQPSA-N 2 1 303.450 2.767 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497166 430401564 /nfs/dbraw/zinc/40/15/64/430401564.db2.gz YAERBCNTOXRESZ-XTKXOIQPSA-N 2 1 303.450 2.767 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC/C=C\c2cncc(OC)c2)C1 ZINC000583497166 430401567 /nfs/dbraw/zinc/40/15/67/430401567.db2.gz YAERBCNTOXRESZ-XTKXOIQPSA-N 2 1 303.450 2.767 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532755 430402730 /nfs/dbraw/zinc/40/27/30/430402730.db2.gz QJORPKWGNJWRLH-NVXWUHKLSA-N 2 1 307.482 2.718 20 0 DFADMP C[NH+](C)Cc1cc(NC(=O)C[C@H]2CC[N@H+](C)C2)ccc1Cl ZINC000635893578 430407167 /nfs/dbraw/zinc/40/71/67/430407167.db2.gz VCXUXXVIZIPAGI-GFCCVEGCSA-N 2 1 309.841 2.682 20 0 DFADMP C[NH+](C)Cc1cc(NC(=O)C[C@H]2CC[N@@H+](C)C2)ccc1Cl ZINC000635893578 430407169 /nfs/dbraw/zinc/40/71/69/430407169.db2.gz VCXUXXVIZIPAGI-GFCCVEGCSA-N 2 1 309.841 2.682 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CC1(F)F ZINC000638686304 430408053 /nfs/dbraw/zinc/40/80/53/430408053.db2.gz ISJVOPAQQQGRNK-QMCVQRASSA-N 2 1 324.415 2.503 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)[C@H]1CC1(F)F ZINC000638686304 430408056 /nfs/dbraw/zinc/40/80/56/430408056.db2.gz ISJVOPAQQQGRNK-QMCVQRASSA-N 2 1 324.415 2.503 20 0 DFADMP CC[N@@H+](CCC1CCN(c2cc(CO)ccn2)CC1)CC1CC1 ZINC000641476308 430408193 /nfs/dbraw/zinc/40/81/93/430408193.db2.gz ALDZENPZUQGKFB-UHFFFAOYSA-N 2 1 317.477 2.912 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000635996846 430433822 /nfs/dbraw/zinc/43/38/22/430433822.db2.gz JNYBVHHIISSLSJ-IRXDYDNUSA-N 2 1 301.434 2.658 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@@H]3CCCC[N@H+]3C)ccc21 ZINC000635996846 430433825 /nfs/dbraw/zinc/43/38/25/430433825.db2.gz JNYBVHHIISSLSJ-IRXDYDNUSA-N 2 1 301.434 2.658 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548064559 430443084 /nfs/dbraw/zinc/44/30/84/430443084.db2.gz ZWHTWMBVFSVAGB-UHFFFAOYSA-N 2 1 311.514 2.831 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(SC)o2)CC1 ZINC000641707398 430446814 /nfs/dbraw/zinc/44/68/14/430446814.db2.gz KSYLXIQGGZJFPR-UHFFFAOYSA-N 2 1 311.495 2.509 20 0 DFADMP CC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)COC1 ZINC000569361838 430448637 /nfs/dbraw/zinc/44/86/37/430448637.db2.gz VUWOMHIJSZOLNN-QGZVFWFLSA-N 2 1 300.446 2.810 20 0 DFADMP CC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)COC1 ZINC000569361838 430448641 /nfs/dbraw/zinc/44/86/41/430448641.db2.gz VUWOMHIJSZOLNN-QGZVFWFLSA-N 2 1 300.446 2.810 20 0 DFADMP Nc1cnccc1C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000641713376 430450796 /nfs/dbraw/zinc/45/07/96/430450796.db2.gz SMRZRVSHQZWRDS-AWEZNQCLSA-N 2 1 316.474 2.727 20 0 DFADMP Nc1cnccc1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000641713376 430450798 /nfs/dbraw/zinc/45/07/98/430450798.db2.gz SMRZRVSHQZWRDS-AWEZNQCLSA-N 2 1 316.474 2.727 20 0 DFADMP Cc1cc(N[C@@H](C)[C@@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153560 430451766 /nfs/dbraw/zinc/45/17/66/430451766.db2.gz AGYBOMPLEZKKKQ-LPHOPBHVSA-N 2 1 311.429 2.513 20 0 DFADMP Cc1cc(N[C@@H](C)[C@@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153560 430451772 /nfs/dbraw/zinc/45/17/72/430451772.db2.gz AGYBOMPLEZKKKQ-LPHOPBHVSA-N 2 1 311.429 2.513 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000569566625 430466505 /nfs/dbraw/zinc/46/65/05/430466505.db2.gz FBKRPDHCJQTGPR-ROUUACIJSA-N 2 1 315.461 2.559 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180515 430467918 /nfs/dbraw/zinc/46/79/18/430467918.db2.gz QVXAPQOMHXNQIZ-QUCCMNQESA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180515 430467921 /nfs/dbraw/zinc/46/79/21/430467921.db2.gz QVXAPQOMHXNQIZ-QUCCMNQESA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180515 430467925 /nfs/dbraw/zinc/46/79/25/430467925.db2.gz QVXAPQOMHXNQIZ-QUCCMNQESA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180515 430467929 /nfs/dbraw/zinc/46/79/29/430467929.db2.gz QVXAPQOMHXNQIZ-QUCCMNQESA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180515 430467933 /nfs/dbraw/zinc/46/79/33/430467933.db2.gz QVXAPQOMHXNQIZ-QUCCMNQESA-N 2 1 316.489 2.669 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180515 430467938 /nfs/dbraw/zinc/46/79/38/430467938.db2.gz QVXAPQOMHXNQIZ-QUCCMNQESA-N 2 1 316.489 2.669 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]2(CCCc3ccccc32)C1 ZINC000584180515 430467939 /nfs/dbraw/zinc/46/79/39/430467939.db2.gz QVXAPQOMHXNQIZ-QUCCMNQESA-N 2 1 316.489 2.669 20 0 DFADMP c1cc2c(s1)CCC[C@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000584345954 430473717 /nfs/dbraw/zinc/47/37/17/430473717.db2.gz LFYDTBFONUUVQC-CYBMUJFWSA-N 2 1 317.462 2.500 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000641803714 430478958 /nfs/dbraw/zinc/47/89/58/430478958.db2.gz FBXMXTXNXHTZGI-NEPJUHHUSA-N 2 1 316.232 2.647 20 0 DFADMP CC[C@H](NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000641804909 430479092 /nfs/dbraw/zinc/47/90/92/430479092.db2.gz MFIBJYUEZNWODA-KKUMJFAQSA-N 2 1 323.868 2.623 20 0 DFADMP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H]2C[C@@H]([NH3+])C2(C)C)cc1 ZINC000641808458 430479649 /nfs/dbraw/zinc/47/96/49/430479649.db2.gz YNFPIKZZMCJXGM-APHBMKBZSA-N 2 1 303.450 2.854 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641808956 430480077 /nfs/dbraw/zinc/48/00/77/430480077.db2.gz VDAQJDAOBIIOPB-ZLKJLUDKSA-N 2 1 309.841 2.691 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnccn2)C1 ZINC000569195583 430430026 /nfs/dbraw/zinc/43/00/26/430430026.db2.gz LMTMNWAMZYSNBY-INIZCTEOSA-N 2 1 310.445 2.998 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnccn2)C1 ZINC000569195583 430430031 /nfs/dbraw/zinc/43/00/31/430430031.db2.gz LMTMNWAMZYSNBY-INIZCTEOSA-N 2 1 310.445 2.998 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000585121145 430480641 /nfs/dbraw/zinc/48/06/41/430480641.db2.gz HCASHEYNICTVGW-GOSISDBHSA-N 2 1 315.461 2.746 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@H]2CCC3(CCCC3)O2)C1 ZINC000641818035 430483410 /nfs/dbraw/zinc/48/34/10/430483410.db2.gz CCJLVBFFHAERKX-BDXSIMOUSA-N 2 1 322.493 2.839 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969364 430483594 /nfs/dbraw/zinc/48/35/94/430483594.db2.gz GKTWMSFVAORVBW-TWMKSMIVSA-N 2 1 321.509 2.676 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)CS1 ZINC000638971287 430485423 /nfs/dbraw/zinc/48/54/23/430485423.db2.gz QWDWLTQQVNRVFS-JLSDUUJJSA-N 2 1 320.502 2.627 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2ccccn2)CC1 ZINC000548776842 430501446 /nfs/dbraw/zinc/50/14/46/430501446.db2.gz LIIMHZLSQYFXHI-IBGZPJMESA-N 2 1 316.493 2.635 20 0 DFADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000639047600 430502105 /nfs/dbraw/zinc/50/21/05/430502105.db2.gz LTFUZVLZUBYYPR-QUCCMNQESA-N 2 1 324.472 2.920 20 0 DFADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)n1 ZINC000639047600 430502109 /nfs/dbraw/zinc/50/21/09/430502109.db2.gz LTFUZVLZUBYYPR-QUCCMNQESA-N 2 1 324.472 2.920 20 0 DFADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1ccccn1 ZINC000548849727 430505282 /nfs/dbraw/zinc/50/52/82/430505282.db2.gz PORLWROYKRNPRK-UHFFFAOYSA-N 2 1 318.509 2.708 20 0 DFADMP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000639057343 430505555 /nfs/dbraw/zinc/50/55/55/430505555.db2.gz MUJISZUWOINFBB-SJLPKXTDSA-N 2 1 316.493 2.723 20 0 DFADMP CC[C@](C)(C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639079536 430514873 /nfs/dbraw/zinc/51/48/73/430514873.db2.gz FTTCZTXONREICN-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@](C)(C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639079536 430514877 /nfs/dbraw/zinc/51/48/77/430514877.db2.gz FTTCZTXONREICN-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@](C)(C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639079536 430514878 /nfs/dbraw/zinc/51/48/78/430514878.db2.gz FTTCZTXONREICN-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@](C)(C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639079536 430514880 /nfs/dbraw/zinc/51/48/80/430514880.db2.gz FTTCZTXONREICN-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@](C)(C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639079536 430514883 /nfs/dbraw/zinc/51/48/83/430514883.db2.gz FTTCZTXONREICN-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](CCC[C@H]2CCO2)CC1 ZINC000639081650 430517287 /nfs/dbraw/zinc/51/72/87/430517287.db2.gz SGZXIRJLBFGQAT-OALUTQOASA-N 2 1 317.477 2.937 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](CCC[C@H]2CCO2)CC1 ZINC000639081650 430517291 /nfs/dbraw/zinc/51/72/91/430517291.db2.gz SGZXIRJLBFGQAT-OALUTQOASA-N 2 1 317.477 2.937 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](CCC[C@H]2CCO2)CC1 ZINC000639081650 430517293 /nfs/dbraw/zinc/51/72/93/430517293.db2.gz SGZXIRJLBFGQAT-OALUTQOASA-N 2 1 317.477 2.937 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](CCC[C@H]2CCO2)CC1 ZINC000639081650 430517298 /nfs/dbraw/zinc/51/72/98/430517298.db2.gz SGZXIRJLBFGQAT-OALUTQOASA-N 2 1 317.477 2.937 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000549097383 430517391 /nfs/dbraw/zinc/51/73/91/430517391.db2.gz ORECPJAQSDMTSY-QGZVFWFLSA-N 2 1 317.477 2.600 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000570174118 430519947 /nfs/dbraw/zinc/51/99/47/430519947.db2.gz YGGFYYWEXQFSAS-SMDDNHRTSA-N 2 1 320.824 2.744 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000570320877 430532831 /nfs/dbraw/zinc/53/28/31/430532831.db2.gz IDSNXVJJKVGPHP-MOPGFXCFSA-N 2 1 322.456 2.614 20 0 DFADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCCCC1 ZINC000639125257 430533662 /nfs/dbraw/zinc/53/36/62/430533662.db2.gz YYSVINWUIPQWIS-AEFFLSMTSA-N 2 1 312.498 2.672 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNCc2cnc([C@@H]3CCCO3)s2)C1 ZINC000549867868 430534884 /nfs/dbraw/zinc/53/48/84/430534884.db2.gz YRQUQFJDMLIOFF-HIFRSBDPSA-N 2 1 309.479 2.815 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000549867868 430534885 /nfs/dbraw/zinc/53/48/85/430534885.db2.gz YRQUQFJDMLIOFF-HIFRSBDPSA-N 2 1 309.479 2.815 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000549867868 430534889 /nfs/dbraw/zinc/53/48/89/430534889.db2.gz YRQUQFJDMLIOFF-HIFRSBDPSA-N 2 1 309.479 2.815 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551050763 430549284 /nfs/dbraw/zinc/54/92/84/430549284.db2.gz BROPTPLQOGONEP-FHWLQOOXSA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOC[C@@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551050763 430549288 /nfs/dbraw/zinc/54/92/88/430549288.db2.gz BROPTPLQOGONEP-FHWLQOOXSA-N 2 1 318.461 2.607 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639170314 430553127 /nfs/dbraw/zinc/55/31/27/430553127.db2.gz STZZEQCPIWMPEC-ZWKOTPCHSA-N 2 1 301.478 2.833 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCn2ccnc2C1 ZINC000639180500 430557599 /nfs/dbraw/zinc/55/75/99/430557599.db2.gz ZFJNNORZRPFSAN-QZTJIDSGSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639180500 430557602 /nfs/dbraw/zinc/55/76/02/430557602.db2.gz ZFJNNORZRPFSAN-QZTJIDSGSA-N 2 1 324.472 2.904 20 0 DFADMP C[N@@H+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639180500 430557603 /nfs/dbraw/zinc/55/76/03/430557603.db2.gz ZFJNNORZRPFSAN-QZTJIDSGSA-N 2 1 324.472 2.904 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C(C)C ZINC000552084157 430583490 /nfs/dbraw/zinc/58/34/90/430583490.db2.gz RBYZGEOXUKUIFB-NXHRZFHOSA-N 2 1 323.525 2.780 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000552084158 430583823 /nfs/dbraw/zinc/58/38/23/430583823.db2.gz RBYZGEOXUKUIFB-SZMVWBNQSA-N 2 1 323.525 2.780 20 0 DFADMP CC(C)[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCOC1 ZINC000643346437 430589023 /nfs/dbraw/zinc/58/90/23/430589023.db2.gz NRGPLBKJWKBTLV-KRWDZBQOSA-N 2 1 306.450 2.626 20 0 DFADMP Cc1sc2nc(C[NH+]3CCCC3)nc(NC[C@H](C)[NH3+])c2c1C ZINC000643036193 430544160 /nfs/dbraw/zinc/54/41/60/430544160.db2.gz SMRQPAHNZDYYPV-JTQLQIEISA-N 2 1 319.478 2.663 20 0 DFADMP Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(Cl)c1 ZINC000570454668 430544419 /nfs/dbraw/zinc/54/44/19/430544419.db2.gz OFSAZLNTZCYSKF-INIZCTEOSA-N 2 1 310.869 2.975 20 0 DFADMP OC[C@H](CCF)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639295543 430600726 /nfs/dbraw/zinc/60/07/26/430600726.db2.gz MPMYBQFOXUFTCB-XYJFISCASA-N 2 1 306.425 2.665 20 0 DFADMP OC[C@H](CCF)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639295543 430600730 /nfs/dbraw/zinc/60/07/30/430600730.db2.gz MPMYBQFOXUFTCB-XYJFISCASA-N 2 1 306.425 2.665 20 0 DFADMP Cc1cc(C)c(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)n1 ZINC000639479042 430650618 /nfs/dbraw/zinc/65/06/18/430650618.db2.gz VNWAEZHRIMPADU-MRXNPFEDSA-N 2 1 319.493 2.531 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639505678 430657589 /nfs/dbraw/zinc/65/75/89/430657589.db2.gz RJFRQSCLEPZKMM-INIZCTEOSA-N 2 1 302.462 2.923 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000643463493 430604173 /nfs/dbraw/zinc/60/41/73/430604173.db2.gz GXZNIDPTKBDMTC-MSOLQXFVSA-N 2 1 315.505 2.937 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[NH2+]1 ZINC000643461619 430604286 /nfs/dbraw/zinc/60/42/86/430604286.db2.gz RMWMXGRRTRXXJX-SWLSCSKDSA-N 2 1 309.841 2.707 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457672 430604398 /nfs/dbraw/zinc/60/43/98/430604398.db2.gz WHZUABUHSHFPOR-YZGWKJHDSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000643457672 430604403 /nfs/dbraw/zinc/60/44/03/430604403.db2.gz WHZUABUHSHFPOR-YZGWKJHDSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000643457672 430604405 /nfs/dbraw/zinc/60/44/05/430604405.db2.gz WHZUABUHSHFPOR-YZGWKJHDSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000643457672 430604408 /nfs/dbraw/zinc/60/44/08/430604408.db2.gz WHZUABUHSHFPOR-YZGWKJHDSA-N 2 1 315.505 2.876 20 0 DFADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000643459744 430604649 /nfs/dbraw/zinc/60/46/49/430604649.db2.gz DHPNECZJQWFNPF-RTBURBONSA-N 2 1 323.440 2.629 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)c1ccsc1 ZINC000552980394 430605469 /nfs/dbraw/zinc/60/54/69/430605469.db2.gz ZBDBJTPJPZFLCN-GOEBONIOSA-N 2 1 323.506 2.587 20 0 DFADMP Cn1nc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643481111 430606493 /nfs/dbraw/zinc/60/64/93/430606493.db2.gz QYOJAWWSXPHCEZ-USXIJHARSA-N 2 1 312.461 2.974 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480372 430606643 /nfs/dbraw/zinc/60/66/43/430606643.db2.gz CJMAJVYWXOAPAF-WAARBJQMSA-N 2 1 301.478 2.612 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000643480372 430606645 /nfs/dbraw/zinc/60/66/45/430606645.db2.gz CJMAJVYWXOAPAF-WAARBJQMSA-N 3 1 301.478 2.612 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000643480372 430606649 /nfs/dbraw/zinc/60/66/49/430606649.db2.gz CJMAJVYWXOAPAF-WAARBJQMSA-N 3 1 301.478 2.612 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000571175183 430610886 /nfs/dbraw/zinc/61/08/86/430610886.db2.gz CDVDXYFFJJSPRC-HNNXBMFYSA-N 2 1 307.463 2.764 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCNC2CC2)CC1 ZINC000643507657 430611427 /nfs/dbraw/zinc/61/14/27/430611427.db2.gz LZKHINOLUCQTBY-UHFFFAOYSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643507657 430611430 /nfs/dbraw/zinc/61/14/30/430611430.db2.gz LZKHINOLUCQTBY-UHFFFAOYSA-N 3 1 301.478 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC[NH2+]C2CC2)CC1 ZINC000643507657 430611433 /nfs/dbraw/zinc/61/14/33/430611433.db2.gz LZKHINOLUCQTBY-UHFFFAOYSA-N 3 1 301.478 2.771 20 0 DFADMP OCC1CC([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639334163 430613140 /nfs/dbraw/zinc/61/31/40/430613140.db2.gz ADBVQFOQWZUJTD-DRWNQKMKSA-N 2 1 300.446 2.715 20 0 DFADMP OCC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639334163 430613144 /nfs/dbraw/zinc/61/31/44/430613144.db2.gz ADBVQFOQWZUJTD-DRWNQKMKSA-N 2 1 300.446 2.715 20 0 DFADMP OCC1CC([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639334165 430613161 /nfs/dbraw/zinc/61/31/61/430613161.db2.gz ADBVQFOQWZUJTD-VHHHDHQQSA-N 2 1 300.446 2.715 20 0 DFADMP OCC1CC([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639334165 430613164 /nfs/dbraw/zinc/61/31/64/430613164.db2.gz ADBVQFOQWZUJTD-VHHHDHQQSA-N 2 1 300.446 2.715 20 0 DFADMP CC(C)n1cncc1C[N@H+]1CC[C@@H](OCc2ccccn2)C1 ZINC000639339318 430613942 /nfs/dbraw/zinc/61/39/42/430613942.db2.gz RLBOXSKCZZCPFM-QGZVFWFLSA-N 2 1 300.406 2.650 20 0 DFADMP CC(C)n1cncc1CN1CC[C@@H](OCc2ccccn2)C1 ZINC000639339318 430613945 /nfs/dbraw/zinc/61/39/45/430613945.db2.gz RLBOXSKCZZCPFM-QGZVFWFLSA-N 2 1 300.406 2.650 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2C[C@H](F)CN2)CC1 ZINC000643538843 430614682 /nfs/dbraw/zinc/61/46/82/430614682.db2.gz XMFBCRMBGPCWCM-BMHOQUIDSA-N 2 1 319.468 2.719 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000643545948 430616280 /nfs/dbraw/zinc/61/62/80/430616280.db2.gz FYEGNDVXLXDMDK-BHIYHBOVSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CN1Cc1ccccc1 ZINC000643545948 430616284 /nfs/dbraw/zinc/61/62/84/430616284.db2.gz FYEGNDVXLXDMDK-BHIYHBOVSA-N 2 1 313.489 2.914 20 0 DFADMP Cc1nc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c(C)s1 ZINC000643543896 430616447 /nfs/dbraw/zinc/61/64/47/430616447.db2.gz VRUGPORYTAPAHR-JQRITLKVSA-N 2 1 322.522 2.627 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000571298811 430618964 /nfs/dbraw/zinc/61/89/64/430618964.db2.gz UHRDZNUATNGCQQ-MRXNPFEDSA-N 2 1 319.493 2.641 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2cnccn2)CC1 ZINC000639518257 430661147 /nfs/dbraw/zinc/66/11/47/430661147.db2.gz CXVPCDXCCCWMGP-QGZVFWFLSA-N 2 1 316.493 2.996 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CC(n2cccn2)C1 ZINC000639358803 430619601 /nfs/dbraw/zinc/61/96/01/430619601.db2.gz DMSFEZDGEWLVBS-FVPXHTFXSA-N 2 1 324.472 2.944 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cc(=O)[nH]c(C3CC3)n2)CC1 ZINC000571405346 430625594 /nfs/dbraw/zinc/62/55/94/430625594.db2.gz OMGWWMKMDDICKS-UHFFFAOYSA-N 2 1 318.465 2.612 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000554096970 430629101 /nfs/dbraw/zinc/62/91/01/430629101.db2.gz SXQKNAXRBNLPNY-NZSAHSFTSA-N 2 1 304.478 2.751 20 0 DFADMP C[C@H]1CCCN(c2cc(NC[C@H]3CC[N@H+](C4CC4)C3)ncn2)C1 ZINC000554211565 430630513 /nfs/dbraw/zinc/63/05/13/430630513.db2.gz ZVFRIHYPJNIJKW-LSDHHAIUSA-N 2 1 315.465 2.609 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000554310932 430633075 /nfs/dbraw/zinc/63/30/75/430633075.db2.gz UPRIWKPFNPLSHP-JKSUJKDBSA-N 2 1 323.525 2.734 20 0 DFADMP CCC[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571641152 430643743 /nfs/dbraw/zinc/64/37/43/430643743.db2.gz DJMYSNZWSFERHB-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP CCC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571641152 430643746 /nfs/dbraw/zinc/64/37/46/430643746.db2.gz DJMYSNZWSFERHB-QZTJIDSGSA-N 2 1 302.462 2.934 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+](C)CCCc2c[nH+]cn2C)c1C ZINC000571697238 430647325 /nfs/dbraw/zinc/64/73/25/430647325.db2.gz FBUQAEBMWQWXJX-UHFFFAOYSA-N 2 1 314.433 2.540 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+](C)CCCc2c[nH+]cn2C)c1C ZINC000571697238 430647327 /nfs/dbraw/zinc/64/73/27/430647327.db2.gz FBUQAEBMWQWXJX-UHFFFAOYSA-N 2 1 314.433 2.540 20 0 DFADMP C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000639589044 430677913 /nfs/dbraw/zinc/67/79/13/430677913.db2.gz IRSLIDMAAVUSTD-NEPXVJNWSA-N 2 1 302.462 2.912 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000367402132 277997392 /nfs/dbraw/zinc/99/73/92/277997392.db2.gz POCZSOSPUXEGRR-SMDDNHRTSA-N 2 1 301.365 2.623 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)C[C@H]3C)C2)c1 ZINC000361507339 278015920 /nfs/dbraw/zinc/01/59/20/278015920.db2.gz DOHBTVCYGXGPRG-JTDSTZFVSA-N 2 1 317.477 2.594 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)C[C@H]3C)C2)c1 ZINC000361507339 278015922 /nfs/dbraw/zinc/01/59/22/278015922.db2.gz DOHBTVCYGXGPRG-JTDSTZFVSA-N 2 1 317.477 2.594 20 0 DFADMP C[N@@H+](Cc1cccc2c1CCOC2)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639625619 430683662 /nfs/dbraw/zinc/68/36/62/430683662.db2.gz BLVXSDSEACQXDB-HNNXBMFYSA-N 2 1 311.429 2.650 20 0 DFADMP C[N@H+](Cc1cccc2c1CCOC2)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639625619 430683665 /nfs/dbraw/zinc/68/36/65/430683665.db2.gz BLVXSDSEACQXDB-HNNXBMFYSA-N 2 1 311.429 2.650 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)CC[N@H+]1C ZINC000369461950 278026810 /nfs/dbraw/zinc/02/68/10/278026810.db2.gz GZGDUMKWJOVZGD-KZNAEPCWSA-N 2 1 301.478 2.975 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)C2 ZINC000277029097 278032237 /nfs/dbraw/zinc/03/22/37/278032237.db2.gz MGUZKZDNPZDILR-GOEBONIOSA-N 2 1 311.429 2.601 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000571937444 430662342 /nfs/dbraw/zinc/66/23/42/430662342.db2.gz XJUVHNGGQFCNHE-DLBZAZTESA-N 2 1 318.486 2.934 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000571937444 430662345 /nfs/dbraw/zinc/66/23/45/430662345.db2.gz XJUVHNGGQFCNHE-DLBZAZTESA-N 2 1 318.486 2.934 20 0 DFADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261911321 278173060 /nfs/dbraw/zinc/17/30/60/278173060.db2.gz JCNYNCHGKWWXSF-ARFHVFGLSA-N 2 1 324.465 2.794 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000572603095 430692003 /nfs/dbraw/zinc/69/20/03/430692003.db2.gz SVHCIFNBLLEETL-SFHVURJKSA-N 2 1 319.424 2.538 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000248836672 278224854 /nfs/dbraw/zinc/22/48/54/278224854.db2.gz DEHNEPPIGZXATQ-BQFCYCMXSA-N 2 1 317.477 2.625 20 0 DFADMP COc1cc(C[N@H+](CCCc2c[nH+]cn2C)C2CC2)ccc1O ZINC000572731893 430696398 /nfs/dbraw/zinc/69/63/98/430696398.db2.gz GESQKYAYKAKNIO-UHFFFAOYSA-N 2 1 315.417 2.732 20 0 DFADMP COc1cc(C[N@@H+](CCCc2c[nH+]cn2C)C2CC2)ccc1O ZINC000572731893 430696399 /nfs/dbraw/zinc/69/63/99/430696399.db2.gz GESQKYAYKAKNIO-UHFFFAOYSA-N 2 1 315.417 2.732 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358913648 278341828 /nfs/dbraw/zinc/34/18/28/278341828.db2.gz ITHXXKCDUWAVNH-RDJZCZTQSA-N 2 1 304.482 2.899 20 0 DFADMP C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358464559 278388603 /nfs/dbraw/zinc/38/86/03/278388603.db2.gz DYIMYPPGYCVZMH-NNFUDEMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H](N[C@H]1C[NH+](C2CC2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358464559 278388606 /nfs/dbraw/zinc/38/86/06/278388606.db2.gz DYIMYPPGYCVZMH-NNFUDEMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H](N[C@H]1C[NH+](C2CC2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358464559 278388607 /nfs/dbraw/zinc/38/86/07/278388607.db2.gz DYIMYPPGYCVZMH-NNFUDEMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358464559 278388609 /nfs/dbraw/zinc/38/86/09/278388609.db2.gz DYIMYPPGYCVZMH-NNFUDEMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H]([NH2+][C@H]1CN(C2CC2)C[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358464559 278388612 /nfs/dbraw/zinc/38/86/12/278388612.db2.gz DYIMYPPGYCVZMH-NNFUDEMPSA-N 2 1 305.510 2.712 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338317239 278393027 /nfs/dbraw/zinc/39/30/27/278393027.db2.gz PLQAYRKABGKQBN-KGLIPLIRSA-N 2 1 304.425 2.589 20 0 DFADMP C[NH+](C)CCC[C@@H]1CN(c2cc[nH+]c3ccsc32)CCO1 ZINC000664656084 430716809 /nfs/dbraw/zinc/71/68/09/430716809.db2.gz DNTBNQYXUJCISJ-CYBMUJFWSA-N 2 1 305.447 2.843 20 0 DFADMP Cc1ccc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)[nH]c2c1 ZINC000657752185 430725130 /nfs/dbraw/zinc/72/51/30/430725130.db2.gz MVAMZMVORZKFPD-SFHVURJKSA-N 2 1 313.445 2.819 20 0 DFADMP Fc1cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)ccc1Cl ZINC000657752416 430725854 /nfs/dbraw/zinc/72/58/54/430725854.db2.gz ZPEZDFMCMWEUEK-AWEZNQCLSA-N 2 1 312.816 2.822 20 0 DFADMP c1nc(C2CCC2)sc1CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657752409 430726382 /nfs/dbraw/zinc/72/63/82/430726382.db2.gz ZNBBEHBGGSJABD-OAHLLOKOSA-N 2 1 321.490 2.754 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1F ZINC000657753186 430726392 /nfs/dbraw/zinc/72/63/92/430726392.db2.gz VEIIRENVLBZZCC-PYKQWIPUSA-N 2 1 322.399 2.821 20 0 DFADMP COc1ccccc1/C=C/C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751339 430726520 /nfs/dbraw/zinc/72/65/20/430726520.db2.gz QMKJZQSVMIAWID-MJICGBHWSA-N 2 1 316.445 2.551 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657752351 430726547 /nfs/dbraw/zinc/72/65/47/430726547.db2.gz YUXWQOIFCJUYHR-KROLTMCQSA-N 2 1 304.409 2.682 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000644513146 430738902 /nfs/dbraw/zinc/73/89/02/430738902.db2.gz POQQFRMUOZKKRA-SFTDATJTSA-N 2 1 324.468 2.626 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CCc2ccccc2C1 ZINC000644513146 430738906 /nfs/dbraw/zinc/73/89/06/430738906.db2.gz POQQFRMUOZKKRA-SFTDATJTSA-N 2 1 324.468 2.626 20 0 DFADMP COC[C@H](CC1CCOCC1)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000657823836 430746157 /nfs/dbraw/zinc/74/61/57/430746157.db2.gz OTSASIZEZCIVNA-AEFFLSMTSA-N 2 1 312.498 2.672 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000644540650 430747649 /nfs/dbraw/zinc/74/76/49/430747649.db2.gz WSAMRROZLINEDJ-QGZVFWFLSA-N 2 1 322.880 2.806 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CC1(c2ccc(Cl)cc2)CCC1)C1CC1 ZINC000644540650 430747652 /nfs/dbraw/zinc/74/76/52/430747652.db2.gz WSAMRROZLINEDJ-QGZVFWFLSA-N 2 1 322.880 2.806 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657835052 430749938 /nfs/dbraw/zinc/74/99/38/430749938.db2.gz KCOBMVABHUWMAE-SQNIBIBYSA-N 2 1 307.526 2.818 20 0 DFADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657866420 430757821 /nfs/dbraw/zinc/75/78/21/430757821.db2.gz BNSJLDUVMGDPAY-RTBURBONSA-N 2 1 324.472 2.872 20 0 DFADMP c1cc2n(n1)CCC[C@H]2[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657866420 430757826 /nfs/dbraw/zinc/75/78/26/430757826.db2.gz BNSJLDUVMGDPAY-RTBURBONSA-N 2 1 324.472 2.872 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CCCSCC3)CC2)nc(C)[nH+]1 ZINC000657900812 430763622 /nfs/dbraw/zinc/76/36/22/430763622.db2.gz NFUZRYIXJACZAW-OAHLLOKOSA-N 2 1 320.506 2.938 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657969740 430777647 /nfs/dbraw/zinc/77/76/47/430777647.db2.gz UJIYHMZTEVDLBP-MSOLQXFVSA-N 2 1 320.502 2.629 20 0 DFADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139296 430822218 /nfs/dbraw/zinc/82/22/18/430822218.db2.gz QMCCFDTWXAFWQY-KXBFYZLASA-N 2 1 314.429 2.567 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)C1 ZINC000658147376 430826100 /nfs/dbraw/zinc/82/61/00/430826100.db2.gz ZOZHDLDGNWAOPY-OAQYLSRUSA-N 2 1 322.452 2.510 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1(CO)CC1 ZINC000658158100 430828806 /nfs/dbraw/zinc/82/88/06/430828806.db2.gz BGSVPFWVQZHUSB-JFIYKMOQSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1(CO)CC1 ZINC000658158100 430828812 /nfs/dbraw/zinc/82/88/12/430828812.db2.gz BGSVPFWVQZHUSB-JFIYKMOQSA-N 2 1 302.462 2.648 20 0 DFADMP Fc1cc(Br)cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000648442385 430789268 /nfs/dbraw/zinc/78/92/68/430789268.db2.gz SHVQFHLNZNDRGG-CYBMUJFWSA-N 2 1 324.197 2.889 20 0 DFADMP Cc1cccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000648452299 430792376 /nfs/dbraw/zinc/79/23/76/430792376.db2.gz UYADQSLXMJIMGS-IBGZPJMESA-N 2 1 302.462 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661693706 430806425 /nfs/dbraw/zinc/80/64/25/430806425.db2.gz SCGLFLSQBWIPPZ-MSOLQXFVSA-N 2 1 308.441 2.551 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H](CCF)C1 ZINC000661693706 430806429 /nfs/dbraw/zinc/80/64/29/430806429.db2.gz SCGLFLSQBWIPPZ-MSOLQXFVSA-N 2 1 308.441 2.551 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H](CCF)C1 ZINC000661693706 430806430 /nfs/dbraw/zinc/80/64/30/430806430.db2.gz SCGLFLSQBWIPPZ-MSOLQXFVSA-N 2 1 308.441 2.551 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000661693706 430806435 /nfs/dbraw/zinc/80/64/35/430806435.db2.gz SCGLFLSQBWIPPZ-MSOLQXFVSA-N 2 1 308.441 2.551 20 0 DFADMP COc1cc(OC)c(C[NH2+]CCCn2cc[nH+]c2C)cc1F ZINC000651681904 430848731 /nfs/dbraw/zinc/84/87/31/430848731.db2.gz DIYIBDIAYRVUKF-UHFFFAOYSA-N 2 1 307.369 2.528 20 0 DFADMP C[C@H]([NH2+]C[C@@H](CO)CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658257285 430855601 /nfs/dbraw/zinc/85/56/01/430855601.db2.gz ZEYYRJNDCADNNY-FFZOFVMBSA-N 2 1 316.489 2.895 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000665238365 430863187 /nfs/dbraw/zinc/86/31/87/430863187.db2.gz WWOKZNSITJSVDB-VNQPRFMTSA-N 2 1 304.434 2.714 20 0 DFADMP COC[C@H]([NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCOCC1 ZINC000665237031 430864203 /nfs/dbraw/zinc/86/42/03/430864203.db2.gz YOXQYBPBUKQDDA-OTWHNJEPSA-N 2 1 318.461 2.511 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2Cl)C1 ZINC000665235511 430864477 /nfs/dbraw/zinc/86/44/77/430864477.db2.gz WSDPRHOQUIQICN-IJEWVQPXSA-N 2 1 307.869 2.754 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000651748171 430868034 /nfs/dbraw/zinc/86/80/34/430868034.db2.gz AQOPMVZVJABYRR-UHFFFAOYSA-N 2 1 310.445 2.841 20 0 DFADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1C ZINC000665246071 430868574 /nfs/dbraw/zinc/86/85/74/430868574.db2.gz YINZEUHYAGAQGQ-GUDVDZBRSA-N 2 1 302.462 2.593 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCCOCC2)cc1 ZINC000665255060 430870387 /nfs/dbraw/zinc/87/03/87/430870387.db2.gz HUZXHUHPTJGPCO-WDSOQIARSA-N 2 1 318.461 2.690 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@H]1CCOC1 ZINC000665257639 430871904 /nfs/dbraw/zinc/87/19/04/430871904.db2.gz OXILUGJTPDVIBJ-XOYOTBSWSA-N 2 1 306.425 2.676 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000658328043 430876803 /nfs/dbraw/zinc/87/68/03/430876803.db2.gz SZPRCTJLBBMGLI-OALUTQOASA-N 2 1 324.509 2.815 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000645014891 430889587 /nfs/dbraw/zinc/88/95/87/430889587.db2.gz ALHUNTDNUDFUOC-FYOYPEGLSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000645014891 430889590 /nfs/dbraw/zinc/88/95/90/430889590.db2.gz ALHUNTDNUDFUOC-FYOYPEGLSA-N 2 1 302.462 2.648 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000648746525 430878499 /nfs/dbraw/zinc/87/84/99/430878499.db2.gz DUXIAXMVCULGRF-ARFHVFGLSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000648746525 430878504 /nfs/dbraw/zinc/87/85/04/430878504.db2.gz DUXIAXMVCULGRF-ARFHVFGLSA-N 2 1 320.481 2.633 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000658337945 430878676 /nfs/dbraw/zinc/87/86/76/430878676.db2.gz BLTOVRHKLUTGGU-RSRPTUBKSA-N 2 1 302.462 2.613 20 0 DFADMP C[C@@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@H]1CCC[NH2+]C1 ZINC000665284070 430882630 /nfs/dbraw/zinc/88/26/30/430882630.db2.gz ZXSSVIDVYUZDDY-MNOVXSKESA-N 2 1 302.340 2.905 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000658353770 430883995 /nfs/dbraw/zinc/88/39/95/430883995.db2.gz RSCNSVMIJHYRPS-VWAQSERHSA-N 2 1 314.473 2.790 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC3CCOCC3)C2)c1 ZINC000644993001 430886978 /nfs/dbraw/zinc/88/69/78/430886978.db2.gz BSGYIDHYTHOTEN-QGZVFWFLSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC3CCOCC3)C2)c1 ZINC000644993001 430886980 /nfs/dbraw/zinc/88/69/80/430886980.db2.gz BSGYIDHYTHOTEN-QGZVFWFLSA-N 2 1 303.450 2.941 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000648775621 430887701 /nfs/dbraw/zinc/88/77/01/430887701.db2.gz QHJJCZTUUNOEKE-HRCADAONSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC(F)(F)F ZINC000665301160 430890980 /nfs/dbraw/zinc/89/09/80/430890980.db2.gz PNRXVECQQZXSEF-UPJWGTAASA-N 2 1 308.388 2.712 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000648787309 430891430 /nfs/dbraw/zinc/89/14/30/430891430.db2.gz MUVQBMMZCVVJKP-CABCVRRESA-N 2 1 322.497 2.879 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](OC(C)C)C1 ZINC000651897942 430908076 /nfs/dbraw/zinc/90/80/76/430908076.db2.gz OSODSWUNTNNGMZ-SFHVURJKSA-N 2 1 314.433 2.965 20 0 DFADMP CC[N@@H+](CCC[NH2+]CC1(OC)CCOCC1)C1CCCCC1 ZINC000651910184 430912023 /nfs/dbraw/zinc/91/20/23/430912023.db2.gz KDUOEOHNLNKLPB-UHFFFAOYSA-N 2 1 312.498 2.816 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652020148 430938298 /nfs/dbraw/zinc/93/82/98/430938298.db2.gz MJNZOLLHVRDHGX-FCGDIQPGSA-N 2 1 320.452 2.597 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659024274 430944721 /nfs/dbraw/zinc/94/47/21/430944721.db2.gz ZGKXWOTXQAFURB-CQSZACIVSA-N 2 1 318.465 2.696 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000655269619 430945011 /nfs/dbraw/zinc/94/50/11/430945011.db2.gz RZSQWVUPEBOYFK-OAHLLOKOSA-N 2 1 320.481 2.729 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000662153022 430979422 /nfs/dbraw/zinc/97/94/22/430979422.db2.gz MDKHGVCJDIYLEF-MRXNPFEDSA-N 2 1 310.388 2.655 20 0 DFADMP CC[C@@H](c1ccc(F)cc1F)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152507 430980079 /nfs/dbraw/zinc/98/00/79/430980079.db2.gz GQUTXIHYGGUQOT-QAPCUYQASA-N 2 1 324.415 2.947 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN([C@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000662154535 430980131 /nfs/dbraw/zinc/98/01/31/430980131.db2.gz XTJMIXYIIOMDKU-HKUYNNGSSA-N 2 1 318.436 2.734 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN(Cc3cccc(C(F)F)c3)CC2)C1 ZINC000662152323 430981145 /nfs/dbraw/zinc/98/11/45/430981145.db2.gz RPYGNZDBXDFDIG-INIZCTEOSA-N 2 1 310.388 2.655 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN(C/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000662152414 430981425 /nfs/dbraw/zinc/98/14/25/430981425.db2.gz UNWUHOKJYVNPKB-QFRLHKFZSA-N 2 1 320.864 2.884 20 0 DFADMP CCCOc1ccc(CN2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000662153050 430981684 /nfs/dbraw/zinc/98/16/84/430981684.db2.gz MROLHLNKEITMGX-SFHVURJKSA-N 2 1 318.461 2.506 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662157242 430984298 /nfs/dbraw/zinc/98/42/98/430984298.db2.gz OXZHJZFJDFKXDC-GOSISDBHSA-N 2 1 302.462 2.643 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)c(C)c1 ZINC000662157242 430984301 /nfs/dbraw/zinc/98/43/01/430984301.db2.gz OXZHJZFJDFKXDC-GOSISDBHSA-N 2 1 302.462 2.643 20 0 DFADMP O[C@H]1CC[N@@H+](C2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000662157819 430984809 /nfs/dbraw/zinc/98/48/09/430984809.db2.gz QQZNIOIVBRDWDX-NRFANRHFSA-N 2 1 324.468 2.913 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](CCc3ccc4ccccc4c3)CC2)C1 ZINC000662157819 430984813 /nfs/dbraw/zinc/98/48/13/430984813.db2.gz QQZNIOIVBRDWDX-NRFANRHFSA-N 2 1 324.468 2.913 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262807 431022382 /nfs/dbraw/zinc/02/23/82/431022382.db2.gz IIGYFULNYWQNDP-UHFFFAOYSA-N 2 1 320.440 2.851 20 0 DFADMP Cn1c2ccccc2nc1C[N@@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262807 431022384 /nfs/dbraw/zinc/02/23/84/431022384.db2.gz IIGYFULNYWQNDP-UHFFFAOYSA-N 2 1 320.440 2.851 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000662389583 431069306 /nfs/dbraw/zinc/06/93/06/431069306.db2.gz YGLGJKUAPAISBB-YJBOKZPZSA-N 2 1 317.477 2.675 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCc3ccsc3)C2)C1 ZINC000652349313 431026709 /nfs/dbraw/zinc/02/67/09/431026709.db2.gz KGFWIRBAECBDFV-GVDBMIGSSA-N 2 1 308.491 2.899 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652348222 431027093 /nfs/dbraw/zinc/02/70/93/431027093.db2.gz YEKLOFKKVIJVHR-BCYZHJNNSA-N 2 1 324.509 2.800 20 0 DFADMP CC(C)c1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])c1 ZINC000662271490 431027194 /nfs/dbraw/zinc/02/71/94/431027194.db2.gz HSHPWCYJERMJIG-GOSISDBHSA-N 2 1 317.477 2.630 20 0 DFADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000662280082 431033296 /nfs/dbraw/zinc/03/32/96/431033296.db2.gz CFQJDJBJRFNDQL-ZBFHGGJFSA-N 2 1 305.470 2.590 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)c1ccccc1 ZINC000662285162 431034764 /nfs/dbraw/zinc/03/47/64/431034764.db2.gz YJEPTXIURBCANW-WJFTUGDTSA-N 2 1 318.461 2.735 20 0 DFADMP CC(C)CCc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662292019 431035709 /nfs/dbraw/zinc/03/57/09/431035709.db2.gz KVVMZDYANIQYKB-MRXNPFEDSA-N 2 1 320.481 2.870 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)NC1CCCCCC1 ZINC000662293650 431036266 /nfs/dbraw/zinc/03/62/66/431036266.db2.gz HFFCYKIADBDMDO-QGZVFWFLSA-N 2 1 321.509 2.537 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286599 431036340 /nfs/dbraw/zinc/03/63/40/431036340.db2.gz RLKIWLGKIOAYKN-CZUORRHYSA-N 2 1 320.864 2.823 20 0 DFADMP CC(C)c1noc([C@@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295905 431038219 /nfs/dbraw/zinc/03/82/19/431038219.db2.gz IQWYIGPLHSVWEF-HIFRSBDPSA-N 2 1 306.454 2.966 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC2(CCCC2)CC1 ZINC000662299677 431038258 /nfs/dbraw/zinc/03/82/58/431038258.db2.gz USUSQYWJLLIOEZ-OALUTQOASA-N 2 1 316.489 2.964 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662312374 431042043 /nfs/dbraw/zinc/04/20/43/431042043.db2.gz BCLFLRULWXLHBL-HZPDHXFCSA-N 2 1 306.450 2.913 20 0 DFADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662315750 431043921 /nfs/dbraw/zinc/04/39/21/431043921.db2.gz SQOXCBANQUQIFJ-IXDOHACOSA-N 2 1 311.514 2.719 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2nc(N)c3ccccc3n2)[C@@H]1CCC[NH3+] ZINC000662314444 431044793 /nfs/dbraw/zinc/04/47/93/431044793.db2.gz DHBFFVOSGBDUTB-CZUORRHYSA-N 2 1 313.449 2.551 20 0 DFADMP Cc1ccccc1CCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319338 431046002 /nfs/dbraw/zinc/04/60/02/431046002.db2.gz HQTBLKFHRQKCDM-LJQANCHMSA-N 2 1 304.478 2.970 20 0 DFADMP Cc1ccc(C)c(OCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319862 431046973 /nfs/dbraw/zinc/04/69/73/431046973.db2.gz PTYSIRBVLIILNN-GOSISDBHSA-N 2 1 320.477 2.725 20 0 DFADMP Cc1ccc(C)c(OCC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319862 431046979 /nfs/dbraw/zinc/04/69/79/431046979.db2.gz PTYSIRBVLIILNN-GOSISDBHSA-N 2 1 320.477 2.725 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCSc2ccccc2)CCO1 ZINC000662321766 431047238 /nfs/dbraw/zinc/04/72/38/431047238.db2.gz SLNRGCLHKNCXDS-MRXNPFEDSA-N 2 1 308.491 2.821 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCSc2ccccc2)CCO1 ZINC000662321766 431047240 /nfs/dbraw/zinc/04/72/40/431047240.db2.gz SLNRGCLHKNCXDS-MRXNPFEDSA-N 2 1 308.491 2.821 20 0 DFADMP COc1ccc([C@@H](C)C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1 ZINC000662325067 431047379 /nfs/dbraw/zinc/04/73/79/431047379.db2.gz BLWLLUGAZBGMOF-LPHOPBHVSA-N 2 1 320.477 2.841 20 0 DFADMP Cc1ccc(C)c(OCC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662319864 431047402 /nfs/dbraw/zinc/04/74/02/431047402.db2.gz PTYSIRBVLIILNN-SFHVURJKSA-N 2 1 320.477 2.725 20 0 DFADMP Cc1ccc(C)c(OCC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662319864 431047406 /nfs/dbraw/zinc/04/74/06/431047406.db2.gz PTYSIRBVLIILNN-SFHVURJKSA-N 2 1 320.477 2.725 20 0 DFADMP Cc1cccc(CCC[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662326244 431049460 /nfs/dbraw/zinc/04/94/60/431049460.db2.gz XLBGWEPUNNRCMZ-IBGZPJMESA-N 2 1 304.478 2.970 20 0 DFADMP Cc1cccc(CCC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662326245 431049771 /nfs/dbraw/zinc/04/97/71/431049771.db2.gz XLBGWEPUNNRCMZ-LJQANCHMSA-N 2 1 304.478 2.970 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000649310370 431063512 /nfs/dbraw/zinc/06/35/12/431063512.db2.gz AFFYTMDSSKYXFP-CJNGLKHVSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649334941 431068848 /nfs/dbraw/zinc/06/88/48/431068848.db2.gz XMYQLXVNIUJSJF-JKSUJKDBSA-N 2 1 323.868 2.721 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649334941 431068853 /nfs/dbraw/zinc/06/88/53/431068853.db2.gz XMYQLXVNIUJSJF-JKSUJKDBSA-N 2 1 323.868 2.721 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000662389207 431068873 /nfs/dbraw/zinc/06/88/73/431068873.db2.gz WDIUIOUEHUKNDG-PBHICJAKSA-N 2 1 303.450 2.855 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244446 431013173 /nfs/dbraw/zinc/01/31/73/431013173.db2.gz GXDDKYJCPVOBKY-AAEUAGOBSA-N 2 1 312.360 2.610 20 0 DFADMP C[N@@H+](CCOc1ccccc1F)Cc1cccc2c1CC[NH2+]C2 ZINC000662249513 431013770 /nfs/dbraw/zinc/01/37/70/431013770.db2.gz VZWQHKUTCFSZDW-UHFFFAOYSA-N 2 1 314.404 2.982 20 0 DFADMP C[N@@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249962 431014832 /nfs/dbraw/zinc/01/48/32/431014832.db2.gz WUUOYHFLNWNWKA-LBPRGKRZSA-N 2 1 315.244 2.946 20 0 DFADMP C[N@H+](Cc1cccc(Cl)c1Cl)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249962 431014835 /nfs/dbraw/zinc/01/48/35/431014835.db2.gz WUUOYHFLNWNWKA-LBPRGKRZSA-N 2 1 315.244 2.946 20 0 DFADMP c1ccc(C[C@@H]2CCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256157 431016488 /nfs/dbraw/zinc/01/64/88/431016488.db2.gz HJUHFLUKPSLOMF-ROUUACIJSA-N 2 1 300.446 2.605 20 0 DFADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254000 431016845 /nfs/dbraw/zinc/01/68/45/431016845.db2.gz YCLYAIVDCHMBEN-INIZCTEOSA-N 2 1 324.852 2.562 20 0 DFADMP Fc1ccc([C@H]2CCCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257077 431018262 /nfs/dbraw/zinc/01/82/62/431018262.db2.gz MRBNDYYPSLQNNR-DLBZAZTESA-N 2 1 304.409 2.874 20 0 DFADMP C[C@@H]1C[C@@H](c2cccc(F)c2)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256599 431018432 /nfs/dbraw/zinc/01/84/32/431018432.db2.gz WSQBBNGYUKYCSR-XYPHTWIQSA-N 2 1 304.409 2.730 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662259804 431018464 /nfs/dbraw/zinc/01/84/64/431018464.db2.gz BOUACDZHUGGJID-UHFFFAOYSA-N 3 1 301.478 2.639 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662259804 431018467 /nfs/dbraw/zinc/01/84/67/431018467.db2.gz BOUACDZHUGGJID-UHFFFAOYSA-N 3 1 301.478 2.639 20 0 DFADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257688 431018739 /nfs/dbraw/zinc/01/87/39/431018739.db2.gz RMGFDLPMXOZMES-MOPGFXCFSA-N 2 1 314.473 2.852 20 0 DFADMP COc1cc(C)cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655738757 431108745 /nfs/dbraw/zinc/10/87/45/431108745.db2.gz XHKVSJRHVDRXGP-GOSISDBHSA-N 2 1 318.461 2.737 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000662592429 431126439 /nfs/dbraw/zinc/12/64/39/431126439.db2.gz JNIGIMDLLGNMGJ-OAGGEKHMSA-N 2 1 309.498 2.521 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649341789 431072205 /nfs/dbraw/zinc/07/22/05/431072205.db2.gz XCWORPCQYWKOMW-HOTGVXAUSA-N 2 1 323.868 2.673 20 0 DFADMP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655681096 431080380 /nfs/dbraw/zinc/08/03/80/431080380.db2.gz ZUUCHXKJOYUETQ-GOSISDBHSA-N 2 1 306.425 2.601 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000652523576 431080585 /nfs/dbraw/zinc/08/05/85/431080585.db2.gz UUNKCFZDTXXNQI-SFHVURJKSA-N 2 1 319.493 2.774 20 0 DFADMP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655681097 431080766 /nfs/dbraw/zinc/08/07/66/431080766.db2.gz ZUUCHXKJOYUETQ-SFHVURJKSA-N 2 1 306.425 2.601 20 0 DFADMP Clc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655683549 431081377 /nfs/dbraw/zinc/08/13/77/431081377.db2.gz GTBWDXLWFLMEQO-QGZVFWFLSA-N 2 1 308.853 2.725 20 0 DFADMP CC(C)C[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000649377962 431082250 /nfs/dbraw/zinc/08/22/50/431082250.db2.gz GYZOALGXEDMZMG-SJLPKXTDSA-N 2 1 323.525 2.863 20 0 DFADMP FC1(F)CC[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655765079 431125593 /nfs/dbraw/zinc/12/55/93/431125593.db2.gz YGIKTTXBQJGNKA-ZFWWWQNUSA-N 2 1 302.409 2.655 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000655703284 431089235 /nfs/dbraw/zinc/08/92/35/431089235.db2.gz DAHIQPIXQPHTBI-UHFFFAOYSA-N 2 1 318.440 2.997 20 0 DFADMP CSc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655707004 431091566 /nfs/dbraw/zinc/09/15/66/431091566.db2.gz QKZIOFCERHCNOI-MRXNPFEDSA-N 2 1 306.475 2.751 20 0 DFADMP c1ccc2c(c1)C[C@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655708379 431092229 /nfs/dbraw/zinc/09/22/29/431092229.db2.gz ILGVOZNOHZVDDP-FUHWJXTLSA-N 2 1 300.446 2.559 20 0 DFADMP CC(C)(C)c1csc([C@H]2CCCC[N@@H+]2CCOCC[NH3+])n1 ZINC000649412232 431093525 /nfs/dbraw/zinc/09/35/25/431093525.db2.gz YOXMVJLANOBLAI-CYBMUJFWSA-N 2 1 311.495 2.943 20 0 DFADMP CC(C)(C)c1csc([C@H]2CCCC[N@H+]2CCOCC[NH3+])n1 ZINC000649412232 431093530 /nfs/dbraw/zinc/09/35/30/431093530.db2.gz YOXMVJLANOBLAI-CYBMUJFWSA-N 2 1 311.495 2.943 20 0 DFADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413864 431093913 /nfs/dbraw/zinc/09/39/13/431093913.db2.gz OIAFDWWOUYQCGP-HXUWFJFHSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411729 431094229 /nfs/dbraw/zinc/09/42/29/431094229.db2.gz ZMYFUFSUTYSDGY-HUUCEWRRSA-N 2 1 307.869 2.628 20 0 DFADMP Fc1ccc(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c(F)c1 ZINC000655710590 431094303 /nfs/dbraw/zinc/09/43/03/431094303.db2.gz AJHVECCCYVINQF-KRWDZBQOSA-N 2 1 324.415 2.740 20 0 DFADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417796 431096928 /nfs/dbraw/zinc/09/69/28/431096928.db2.gz HFRDUCQBQDCMLA-DLBZAZTESA-N 2 1 312.461 2.854 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000655720720 431098635 /nfs/dbraw/zinc/09/86/35/431098635.db2.gz DQUGVEMVQJOQRF-HNNXBMFYSA-N 2 1 300.450 2.919 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCCC[N@@H+](C)CC(C)C ZINC000652610911 431100979 /nfs/dbraw/zinc/10/09/79/431100979.db2.gz PXZROCBOXLZXRF-UHFFFAOYSA-N 2 1 320.481 2.896 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000645895805 431104704 /nfs/dbraw/zinc/10/47/04/431104704.db2.gz NGSUYTMTXQVXOO-SLFFLAALSA-N 2 1 314.473 2.867 20 0 DFADMP FC1(F)CCC[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655734291 431105145 /nfs/dbraw/zinc/10/51/45/431105145.db2.gz DTLKQKRUJLQTHV-GJZGRUSLSA-N 2 1 302.409 2.797 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000649501476 431126236 /nfs/dbraw/zinc/12/62/36/431126236.db2.gz LALRQNRXWHSRSL-MSOLQXFVSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000649501476 431126240 /nfs/dbraw/zinc/12/62/40/431126240.db2.gz LALRQNRXWHSRSL-MSOLQXFVSA-N 2 1 313.445 2.635 20 0 DFADMP Cc1ccsc1CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655736741 431107355 /nfs/dbraw/zinc/10/73/55/431107355.db2.gz RQUKFBKBTGCHAG-MRXNPFEDSA-N 2 1 308.491 2.832 20 0 DFADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@H]([NH3+])c1ccccc1 ZINC000662594084 431128598 /nfs/dbraw/zinc/12/85/98/431128598.db2.gz RJIMPXPNYQARDD-ZOBUZTSGSA-N 2 1 317.477 2.559 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000267281397 279046334 /nfs/dbraw/zinc/04/63/34/279046334.db2.gz KVJLVMDDNZZNEW-KSZLIROESA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000662594452 431127568 /nfs/dbraw/zinc/12/75/68/431127568.db2.gz SSXIUSDRKVLYDU-HOTGVXAUSA-N 2 1 309.498 2.521 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CC)C[C@H]2C)cc1 ZINC000288339288 279136509 /nfs/dbraw/zinc/13/65/09/279136509.db2.gz IQQDLPKIROHSRI-MRXNPFEDSA-N 2 1 317.477 2.695 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000659843371 431137860 /nfs/dbraw/zinc/13/78/60/431137860.db2.gz SJNBFAJKHBLPBB-HDICACEKSA-N 2 1 307.526 2.772 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354812199 279264477 /nfs/dbraw/zinc/26/44/77/279264477.db2.gz NNIMLGNGQPYZGJ-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354812199 279264479 /nfs/dbraw/zinc/26/44/79/279264479.db2.gz NNIMLGNGQPYZGJ-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000354812199 279264482 /nfs/dbraw/zinc/26/44/82/279264482.db2.gz NNIMLGNGQPYZGJ-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP CCCC[N@@H+](C)CC1CCN([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659848010 431142937 /nfs/dbraw/zinc/14/29/37/431142937.db2.gz VGGLPSBDYBVEFV-AWEZNQCLSA-N 2 1 307.486 2.872 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659848010 431142962 /nfs/dbraw/zinc/14/29/62/431142962.db2.gz VGGLPSBDYBVEFV-AWEZNQCLSA-N 2 1 307.486 2.872 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659848010 431142968 /nfs/dbraw/zinc/14/29/68/431142968.db2.gz VGGLPSBDYBVEFV-AWEZNQCLSA-N 2 1 307.486 2.872 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2([NH3+])CC3(CCC3)C2)CC1 ZINC000662683346 431161290 /nfs/dbraw/zinc/16/12/90/431161290.db2.gz MXDZTTBWLORQOS-UHFFFAOYSA-N 2 1 321.509 2.619 20 0 DFADMP CC(=O)c1[nH]c(CC[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nc1C ZINC000659876511 431165349 /nfs/dbraw/zinc/16/53/49/431165349.db2.gz IRJIHDDZWKAIFH-UHFFFAOYSA-N 2 1 320.481 2.515 20 0 DFADMP CC(=O)c1[nH]c(CC[NH+]2CCC(C[N@H+](C)C(C)C)CC2)nc1C ZINC000659876511 431165356 /nfs/dbraw/zinc/16/53/56/431165356.db2.gz IRJIHDDZWKAIFH-UHFFFAOYSA-N 2 1 320.481 2.515 20 0 DFADMP COCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000655817236 431166403 /nfs/dbraw/zinc/16/64/03/431166403.db2.gz JFUZJAAYESOILG-FUHWJXTLSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000666259029 431167993 /nfs/dbraw/zinc/16/79/93/431167993.db2.gz JQXWFILMDPFHRT-UHFFFAOYSA-N 2 1 301.478 2.681 20 0 DFADMP CCC[N@H+]1CC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662704283 431168912 /nfs/dbraw/zinc/16/89/12/431168912.db2.gz YHGYSKCIJPHBBF-DLBZAZTESA-N 2 1 309.498 2.665 20 0 DFADMP C[N@@H+]1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)c2ccccc2C1 ZINC000662720262 431173897 /nfs/dbraw/zinc/17/38/97/431173897.db2.gz XPYPVNXREDOZND-SFHVURJKSA-N 2 1 321.424 2.700 20 0 DFADMP CSc1cccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000659891004 431175304 /nfs/dbraw/zinc/17/53/04/431175304.db2.gz JUYNHRGOWGGYCO-OAHLLOKOSA-N 2 1 322.518 2.933 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000649585512 431176639 /nfs/dbraw/zinc/17/66/39/431176639.db2.gz YMLGIIJMSALUNF-BWPNAZKDSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H]1CCC[NH+]1C ZINC000649585512 431176643 /nfs/dbraw/zinc/17/66/43/431176643.db2.gz YMLGIIJMSALUNF-BWPNAZKDSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H]1CCC[NH+]1C ZINC000649585512 431176650 /nfs/dbraw/zinc/17/66/50/431176650.db2.gz YMLGIIJMSALUNF-BWPNAZKDSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000649585512 431176658 /nfs/dbraw/zinc/17/66/58/431176658.db2.gz YMLGIIJMSALUNF-BWPNAZKDSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H](C)[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000649585512 431176665 /nfs/dbraw/zinc/17/66/65/431176665.db2.gz YMLGIIJMSALUNF-BWPNAZKDSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H](Cc2ccccc2)C1 ZINC000659902774 431178529 /nfs/dbraw/zinc/17/85/29/431178529.db2.gz BUUHOWTXCMHLPN-OALUTQOASA-N 2 1 304.478 2.642 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662730130 431178930 /nfs/dbraw/zinc/17/89/30/431178930.db2.gz SCBPPFVHOSRHQV-OAHLLOKOSA-N 2 1 321.509 2.665 20 0 DFADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000659912120 431185635 /nfs/dbraw/zinc/18/56/35/431185635.db2.gz GJNFRHMTUMMLCY-WMZOPIPTSA-N 2 1 322.493 2.649 20 0 DFADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000659912120 431185638 /nfs/dbraw/zinc/18/56/38/431185638.db2.gz GJNFRHMTUMMLCY-WMZOPIPTSA-N 2 1 322.493 2.649 20 0 DFADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H](C)Cc1ccc(OC)cc1 ZINC000659912120 431185642 /nfs/dbraw/zinc/18/56/42/431185642.db2.gz GJNFRHMTUMMLCY-WMZOPIPTSA-N 2 1 322.493 2.649 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CCC1 ZINC000659907063 431186105 /nfs/dbraw/zinc/18/61/05/431186105.db2.gz VYPFTOQXPVNMRG-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CCC1 ZINC000659907063 431186112 /nfs/dbraw/zinc/18/61/12/431186112.db2.gz VYPFTOQXPVNMRG-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CCC1 ZINC000659944101 431201784 /nfs/dbraw/zinc/20/17/84/431201784.db2.gz QFJINDGQTAKCJJ-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CCC1 ZINC000659944101 431201790 /nfs/dbraw/zinc/20/17/90/431201790.db2.gz QFJINDGQTAKCJJ-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP Cc1ccc(OC2CCN(C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000659935386 431196280 /nfs/dbraw/zinc/19/62/80/431196280.db2.gz PPEXTWYOWMKESL-QGZVFWFLSA-N 2 1 320.477 2.539 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000649610032 431196583 /nfs/dbraw/zinc/19/65/83/431196583.db2.gz GECLODSEQYPMSA-UXHICEINSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC[C@@H]1CN1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000649610032 431196591 /nfs/dbraw/zinc/19/65/91/431196591.db2.gz GECLODSEQYPMSA-UXHICEINSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC[C@@H]1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649610032 431196597 /nfs/dbraw/zinc/19/65/97/431196597.db2.gz GECLODSEQYPMSA-UXHICEINSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1cncc(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000649531602 431145175 /nfs/dbraw/zinc/14/51/75/431145175.db2.gz LUZYXZRGULAHBJ-MSOLQXFVSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000649531602 431145178 /nfs/dbraw/zinc/14/51/78/431145178.db2.gz LUZYXZRGULAHBJ-MSOLQXFVSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000649531602 431145183 /nfs/dbraw/zinc/14/51/83/431145183.db2.gz LUZYXZRGULAHBJ-MSOLQXFVSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000649531602 431145187 /nfs/dbraw/zinc/14/51/87/431145187.db2.gz LUZYXZRGULAHBJ-MSOLQXFVSA-N 2 1 316.493 2.914 20 0 DFADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC[NH+]1C ZINC000649545432 431154763 /nfs/dbraw/zinc/15/47/63/431154763.db2.gz FAEJTDZOVCYNBO-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[N@@H+]1C ZINC000649545432 431154768 /nfs/dbraw/zinc/15/47/68/431154768.db2.gz FAEJTDZOVCYNBO-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP CN(C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[N@H+]1C ZINC000649545432 431154776 /nfs/dbraw/zinc/15/47/76/431154776.db2.gz FAEJTDZOVCYNBO-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668150 431155710 /nfs/dbraw/zinc/15/57/10/431155710.db2.gz IKJINZRZKPCNFB-FUHWJXTLSA-N 2 1 321.509 2.807 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CC2(F)F)[C@@H](C)C1 ZINC000666228927 431156933 /nfs/dbraw/zinc/15/69/33/431156933.db2.gz ZJUKJLKWKADNIC-YJNKXOJESA-N 2 1 304.425 2.757 20 0 DFADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@@H]1CCC[NH+](C)C1 ZINC000659947262 431205999 /nfs/dbraw/zinc/20/59/99/431205999.db2.gz NHGMXLOWPNGXHS-SJORKVTESA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000659947262 431206000 /nfs/dbraw/zinc/20/60/00/431206000.db2.gz NHGMXLOWPNGXHS-SJORKVTESA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000659947262 431206008 /nfs/dbraw/zinc/20/60/08/431206008.db2.gz NHGMXLOWPNGXHS-SJORKVTESA-N 2 1 323.525 2.545 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H](C[NH+]3CCCCC3)C2)C1 ZINC000659957488 431209902 /nfs/dbraw/zinc/20/99/02/431209902.db2.gz TZWUHMNHXZMRPI-CEXWTWQISA-N 2 1 307.526 2.772 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000666402143 431213780 /nfs/dbraw/zinc/21/37/80/431213780.db2.gz VINYYGQUPWZWFX-LJQANCHMSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@H](C3CCC3)C2)cc1 ZINC000666402143 431213791 /nfs/dbraw/zinc/21/37/91/431213791.db2.gz VINYYGQUPWZWFX-LJQANCHMSA-N 2 1 318.461 2.628 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]([NH3+])C(C)C)cc1 ZINC000646175252 431215672 /nfs/dbraw/zinc/21/56/72/431215672.db2.gz PIXSKSATZZIDDI-CXAGYDPISA-N 2 1 314.433 2.731 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)Cc1nnc(C(F)(F)F)s1 ZINC000660116712 431277110 /nfs/dbraw/zinc/27/71/10/431277110.db2.gz KGVUOECCRBATRN-UHFFFAOYSA-N 2 1 319.356 2.584 20 0 DFADMP CC[C@@H](CC(F)F)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000660139213 431287825 /nfs/dbraw/zinc/28/78/25/431287825.db2.gz OIKOZYXKNOIQBF-AWEZNQCLSA-N 2 1 305.457 2.626 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC[C@H]1CCc2ccccc21 ZINC000660145444 431292228 /nfs/dbraw/zinc/29/22/28/431292228.db2.gz RVRYWERFUSQQJA-LJQANCHMSA-N 2 1 315.505 2.676 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000653176226 431293719 /nfs/dbraw/zinc/29/37/19/431293719.db2.gz NKYNMLMDLNUYBL-KRWDZBQOSA-N 2 1 305.466 2.561 20 0 DFADMP CC(C)[NH2+]CCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000646401453 431297399 /nfs/dbraw/zinc/29/73/99/431297399.db2.gz IJEPBYGCWZPLOJ-UHFFFAOYSA-N 2 1 324.494 2.846 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1C[C@@H](C)CC[NH2+]1)C1CCCCC1 ZINC000653200970 431305835 /nfs/dbraw/zinc/30/58/35/431305835.db2.gz VVSRCQKZZUEXHA-DOTOQJQBSA-N 2 1 309.498 2.535 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000653200886 431305856 /nfs/dbraw/zinc/30/58/56/431305856.db2.gz TTYCIMUJRTWMKL-CVEARBPZSA-N 2 1 309.498 2.665 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCC2)[C@H](C)C1 ZINC000660307292 431372107 /nfs/dbraw/zinc/37/21/07/431372107.db2.gz WASRMCIIHJCQDQ-BPQIPLTHSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@@H+]1CCOc1ccccc1C(F)(F)F ZINC000653298746 431359495 /nfs/dbraw/zinc/35/94/95/431359495.db2.gz FVPHIECNWICKEU-RYUDHWBXSA-N 2 1 302.340 2.896 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000653298746 431359503 /nfs/dbraw/zinc/35/95/03/431359503.db2.gz FVPHIECNWICKEU-RYUDHWBXSA-N 2 1 302.340 2.896 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416395 431418101 /nfs/dbraw/zinc/41/81/01/431418101.db2.gz QVMNNFDVXQJOLZ-IRXDYDNUSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000666953935 431422285 /nfs/dbraw/zinc/42/22/85/431422285.db2.gz LJKQHHVOFVBPNC-QRQLOZEOSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC23CC[NH2+]CC3)CC[N@H+]1Cc1ccccc1 ZINC000666953935 431422291 /nfs/dbraw/zinc/42/22/91/431422291.db2.gz LJKQHHVOFVBPNC-QRQLOZEOSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(N2CC[C@@H]([NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663347156 431378014 /nfs/dbraw/zinc/37/80/14/431378014.db2.gz ZWHHUWFBZKZTHO-RBUKOAKNSA-N 2 1 313.489 2.977 20 0 DFADMP Cc1cc(NC(=O)N2CCC[C@H]([NH2+]C(C)C)C2)cn2cc[nH+]c12 ZINC000653374111 431382607 /nfs/dbraw/zinc/38/26/07/431382607.db2.gz VSRIHDFQCCKIQM-AWEZNQCLSA-N 2 1 315.421 2.637 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663359709 431386217 /nfs/dbraw/zinc/38/62/17/431386217.db2.gz PHHVPUUROJCCQS-UHFFFAOYSA-N 2 1 314.433 2.614 20 0 DFADMP CC(C)(C)[C@@H]([NH3+])c1cn([C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656455339 431391692 /nfs/dbraw/zinc/39/16/92/431391692.db2.gz DKFKHKZQFAHVOR-RDJZCZTQSA-N 2 1 313.449 2.771 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666878592 431393829 /nfs/dbraw/zinc/39/38/29/431393829.db2.gz TZITVPRXSNTQJB-GUYCJALGSA-N 2 1 318.852 2.672 20 0 DFADMP c1ccc(CN2CCC([NH2+][C@H]3CC[NH2+]C4(CCC4)C3)CC2)cc1 ZINC000666995504 431438122 /nfs/dbraw/zinc/43/81/22/431438122.db2.gz PRFLECOREWGOJG-IBGZPJMESA-N 2 1 313.489 2.915 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)n2c1 ZINC000666996944 431438669 /nfs/dbraw/zinc/43/86/69/431438669.db2.gz NIWXTJVNWPPHNJ-CYBMUJFWSA-N 2 1 304.825 2.752 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)cn2)cc1 ZINC000666998140 431441058 /nfs/dbraw/zinc/44/10/58/431441058.db2.gz DYFHFQOLZDBNJA-MRXNPFEDSA-N 2 1 314.408 2.776 20 0 DFADMP Clc1ccccc1CN1CCC([NH2+]CC23CC(C2)C[NH2+]3)CC1 ZINC000663497062 431442194 /nfs/dbraw/zinc/44/21/94/431442194.db2.gz ASGXKAFOSXQUBW-UHFFFAOYSA-N 2 1 319.880 2.646 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497116 431443726 /nfs/dbraw/zinc/44/37/26/431443726.db2.gz BYYIDZRQJKZZOC-POZPTJLLSA-N 2 1 321.852 2.707 20 0 DFADMP Cn1c2ccccc2cc(C[N@H+]2CCC[C@@H](c3ncc[nH]3)C2)c1=O ZINC000653581570 431445899 /nfs/dbraw/zinc/44/58/99/431445899.db2.gz WPWHGJDVQVGHAT-OAHLLOKOSA-N 2 1 322.412 2.641 20 0 DFADMP C[C@H](c1cccnc1)[NH+]1CCN(c2[nH+]ccc3[nH]ccc32)CC1 ZINC000663611845 431480513 /nfs/dbraw/zinc/48/05/13/431480513.db2.gz RJPKPEMICVUGRO-CQSZACIVSA-N 2 1 307.401 2.841 20 0 DFADMP [NH3+]CC12CC(C1)CN2c1cc[nH+]c2cc(Br)ccc21 ZINC000656611070 431448082 /nfs/dbraw/zinc/44/80/82/431448082.db2.gz RRDJMVKXHWWJAW-UHFFFAOYSA-N 2 1 318.218 2.925 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)ccc1O ZINC000656620046 431452058 /nfs/dbraw/zinc/45/20/58/431452058.db2.gz YJIYHMXNPNEAOC-HNNXBMFYSA-N 2 1 315.417 2.682 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)ccc1O ZINC000656620046 431452063 /nfs/dbraw/zinc/45/20/63/431452063.db2.gz YJIYHMXNPNEAOC-HNNXBMFYSA-N 2 1 315.417 2.682 20 0 DFADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000663514789 431453895 /nfs/dbraw/zinc/45/38/95/431453895.db2.gz TUNBNNWYJNSXNM-VHSXEESVSA-N 2 1 303.219 2.717 20 0 DFADMP c1ccc(C2CC2)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000667058340 431461514 /nfs/dbraw/zinc/46/15/14/431461514.db2.gz VLWNZQSMSQWIFV-MOPGFXCFSA-N 2 1 312.457 2.764 20 0 DFADMP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3csc(C4CC4)n3)CC2)C1 ZINC000667054178 431461556 /nfs/dbraw/zinc/46/15/56/431461556.db2.gz SXIBMHOVKIPNCO-HOCLYGCPSA-N 2 1 321.490 2.739 20 0 DFADMP Cn1nccc1[C@H]1[C@H](C[N@@H+](C)CC2CC=CC2)CCCN1C ZINC000660522780 431473549 /nfs/dbraw/zinc/47/35/49/431473549.db2.gz PTPOSOOPQUUIBD-FUHWJXTLSA-N 2 1 302.466 2.701 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(C(F)F)C2)CC1 ZINC000656690324 431477375 /nfs/dbraw/zinc/47/73/75/431477375.db2.gz JYILULHEWNYFFM-UHFFFAOYSA-N 2 1 323.431 2.916 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268815936 279868098 /nfs/dbraw/zinc/86/80/98/279868098.db2.gz GCGAWQWNEZKTTK-LJQANCHMSA-N 2 1 322.468 2.829 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C12CCCC2 ZINC000366730055 279872658 /nfs/dbraw/zinc/87/26/58/279872658.db2.gz NJUVJXWBNMFNMJ-OWCLPIDISA-N 2 1 303.450 2.773 20 0 DFADMP CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000663468552 431434291 /nfs/dbraw/zinc/43/42/91/431434291.db2.gz MBYYMOXIYHDUCV-BZZMCLGOSA-N 2 1 306.494 2.902 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995388 431437084 /nfs/dbraw/zinc/43/70/84/431437084.db2.gz MRKKDIDIJBFNRC-BHIYHBOVSA-N 2 1 313.489 2.771 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995388 431437088 /nfs/dbraw/zinc/43/70/88/431437088.db2.gz MRKKDIDIJBFNRC-BHIYHBOVSA-N 2 1 313.489 2.771 20 0 DFADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000656787684 431522006 /nfs/dbraw/zinc/52/20/06/431522006.db2.gz RIANWOFARRJVRO-KKUMJFAQSA-N 2 1 307.869 2.754 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCCC[C@@H]1Cc1ccccc1F ZINC000653779281 431525583 /nfs/dbraw/zinc/52/55/83/431525583.db2.gz SKPSFGWMDAMHHS-SJORKVTESA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779281 431525593 /nfs/dbraw/zinc/52/55/93/431525593.db2.gz SKPSFGWMDAMHHS-SJORKVTESA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779281 431525598 /nfs/dbraw/zinc/52/55/98/431525598.db2.gz SKPSFGWMDAMHHS-SJORKVTESA-N 2 1 308.441 2.535 20 0 DFADMP Cc1ccc(O)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000647248926 431528628 /nfs/dbraw/zinc/52/86/28/431528628.db2.gz PIXLWKJNRQYEJG-SJORKVTESA-N 2 1 311.429 2.531 20 0 DFADMP COC1(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCCC1 ZINC000647249190 431529246 /nfs/dbraw/zinc/52/92/46/431529246.db2.gz HZWOALXTCIEKAV-MSOLQXFVSA-N 2 1 302.462 2.881 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000660656736 431530643 /nfs/dbraw/zinc/53/06/43/431530643.db2.gz WXVUERBMFOCOTB-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000660656736 431530649 /nfs/dbraw/zinc/53/06/49/431530649.db2.gz WXVUERBMFOCOTB-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1cccc(F)c1)C2 ZINC000660656736 431530653 /nfs/dbraw/zinc/53/06/53/431530653.db2.gz WXVUERBMFOCOTB-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@@H+](C)C(C)C)o1 ZINC000647170374 431491352 /nfs/dbraw/zinc/49/13/52/431491352.db2.gz XSQMLBHEUSVNOE-UHFFFAOYSA-N 2 1 304.438 2.808 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCC[N@H+](C)C(C)C)o1 ZINC000647170374 431491356 /nfs/dbraw/zinc/49/13/56/431491356.db2.gz XSQMLBHEUSVNOE-UHFFFAOYSA-N 2 1 304.438 2.808 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000647172161 431492117 /nfs/dbraw/zinc/49/21/17/431492117.db2.gz KWHYMYUUGCTITF-MSOLQXFVSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000647172161 431492125 /nfs/dbraw/zinc/49/21/25/431492125.db2.gz KWHYMYUUGCTITF-MSOLQXFVSA-N 2 1 310.445 2.897 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C1(CO)CCC1 ZINC000653701983 431495441 /nfs/dbraw/zinc/49/54/41/431495441.db2.gz LMCIDAOGMJAIBW-GOSISDBHSA-N 2 1 313.445 2.846 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344053 431559148 /nfs/dbraw/zinc/55/91/48/431559148.db2.gz IDBFVYLQELNUFR-NZSAHSFTSA-N 2 1 324.472 2.733 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CCOCC1 ZINC000647344467 431559610 /nfs/dbraw/zinc/55/96/10/431559610.db2.gz REMVNLIBVJNDFQ-IPELMVKDSA-N 2 1 302.462 2.737 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000647344656 431561614 /nfs/dbraw/zinc/56/16/14/431561614.db2.gz WIKQACFJHMQCOZ-KANFNMMFSA-N 2 1 302.462 2.737 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660659796 431534602 /nfs/dbraw/zinc/53/46/02/431534602.db2.gz RBNBTWNWVHKNFM-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660659796 431534607 /nfs/dbraw/zinc/53/46/07/431534607.db2.gz RBNBTWNWVHKNFM-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660659796 431534610 /nfs/dbraw/zinc/53/46/10/431534610.db2.gz RBNBTWNWVHKNFM-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660659796 431534613 /nfs/dbraw/zinc/53/46/13/431534613.db2.gz RBNBTWNWVHKNFM-SFHVURJKSA-N 2 1 301.434 2.563 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661265 431536946 /nfs/dbraw/zinc/53/69/46/431536946.db2.gz BZKZTPSRWNWLOW-ZWKOTPCHSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661265 431536952 /nfs/dbraw/zinc/53/69/52/431536952.db2.gz BZKZTPSRWNWLOW-ZWKOTPCHSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661265 431536959 /nfs/dbraw/zinc/53/69/59/431536959.db2.gz BZKZTPSRWNWLOW-ZWKOTPCHSA-N 2 1 322.880 2.661 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@@H]2CCC[C@H]21 ZINC000647338378 431553646 /nfs/dbraw/zinc/55/36/46/431553646.db2.gz LWYQMTUDPTYEGO-ICBNADEASA-N 2 1 315.461 2.764 20 0 DFADMP CCCC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@@H]1CCCC[C@H]1OC ZINC000660724866 431565542 /nfs/dbraw/zinc/56/55/42/431565542.db2.gz HZIWZZXMXPIFMC-KZNAEPCWSA-N 2 1 314.514 2.747 20 0 DFADMP CCCC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@@H]1CCCC[C@H]1OC ZINC000660724866 431565548 /nfs/dbraw/zinc/56/55/48/431565548.db2.gz HZIWZZXMXPIFMC-KZNAEPCWSA-N 2 1 314.514 2.747 20 0 DFADMP CCCC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCCC[C@H]1OC ZINC000660724866 431565555 /nfs/dbraw/zinc/56/55/55/431565555.db2.gz HZIWZZXMXPIFMC-KZNAEPCWSA-N 2 1 314.514 2.747 20 0 DFADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)OCCc2sccc21 ZINC000353610154 280159537 /nfs/dbraw/zinc/15/95/37/280159537.db2.gz LSLZVTWURPMWBN-JJRVBVJISA-N 2 1 306.475 2.752 20 0 DFADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[NH+](C)C ZINC000106432340 280175916 /nfs/dbraw/zinc/17/59/16/280175916.db2.gz UOKQRWIQHCDNOQ-GOSISDBHSA-N 2 1 319.493 2.729 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480234 431601925 /nfs/dbraw/zinc/60/19/25/431601925.db2.gz HICRTRFWDQYILF-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C1CC[NH2+]CC1 ZINC000647484446 431603093 /nfs/dbraw/zinc/60/30/93/431603093.db2.gz KXKOKGBZFDUDCL-UHFFFAOYSA-N 3 1 319.493 2.591 20 0 DFADMP Cn1ncc(C(F)(F)F)c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000657293402 431650919 /nfs/dbraw/zinc/65/09/19/431650919.db2.gz YJQXBFLAEIYTNK-UHFFFAOYSA-N 2 1 318.387 2.838 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3cc(F)ccc3F)C2)C1 ZINC000650706628 431653530 /nfs/dbraw/zinc/65/35/30/431653530.db2.gz OSCJVWXTBRYCTR-MJEQTWJJSA-N 2 1 310.388 2.683 20 0 DFADMP Brc1ccc(CNCc2cnc3n2CCC3)s1 ZINC000657297977 431654099 /nfs/dbraw/zinc/65/40/99/431654099.db2.gz MMZBKTZYCVXQBT-UHFFFAOYSA-N 2 1 312.236 2.943 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705530 431654203 /nfs/dbraw/zinc/65/42/03/431654203.db2.gz KORYBVZDMRMLSA-LNLFQRSKSA-N 2 1 318.461 2.804 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000647671587 431654572 /nfs/dbraw/zinc/65/45/72/431654572.db2.gz NDGOVPIYIQXATQ-ZDUSSCGKSA-N 2 1 300.406 2.755 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1F ZINC000650706416 431655086 /nfs/dbraw/zinc/65/50/86/431655086.db2.gz JXZFKOHXNWXECM-DAYGRLMNSA-N 2 1 322.424 2.553 20 0 DFADMP COc1cc2c(c(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c1)O[C@H](C)C2 ZINC000650709390 431657000 /nfs/dbraw/zinc/65/70/00/431657000.db2.gz XQJXEDJKLNLJGE-AZOIQLNYSA-N 2 1 316.445 2.579 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])s1 ZINC000650711356 431657737 /nfs/dbraw/zinc/65/77/37/431657737.db2.gz QVEJMNDVOHXAAK-DZGCQCFKSA-N 2 1 310.511 2.939 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709733 431657757 /nfs/dbraw/zinc/65/77/57/431657757.db2.gz OMIWIPVCEBYWEO-LPHOPBHVSA-N 2 1 310.445 2.742 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650709733 431657764 /nfs/dbraw/zinc/65/77/64/431657764.db2.gz OMIWIPVCEBYWEO-LPHOPBHVSA-N 2 1 310.445 2.742 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000650713436 431659661 /nfs/dbraw/zinc/65/96/61/431659661.db2.gz SLGJSAPPQBMTKF-SJLPKXTDSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000650713436 431659668 /nfs/dbraw/zinc/65/96/68/431659668.db2.gz SLGJSAPPQBMTKF-SJLPKXTDSA-N 3 1 301.478 2.758 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000647496985 431605230 /nfs/dbraw/zinc/60/52/30/431605230.db2.gz GVMYRPZUHVCBDZ-UHFFFAOYSA-N 2 1 313.449 2.841 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000647498261 431607535 /nfs/dbraw/zinc/60/75/35/431607535.db2.gz DFMPTUNQBPKSOC-MLGOLLRUSA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000647498261 431607541 /nfs/dbraw/zinc/60/75/41/431607541.db2.gz DFMPTUNQBPKSOC-MLGOLLRUSA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@@H]1[NH3+] ZINC000647498611 431609994 /nfs/dbraw/zinc/60/99/94/431609994.db2.gz KZKYOIPZHHYKAM-WBMJQRKESA-N 2 1 302.397 2.775 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH2+]C1 ZINC000647515490 431611428 /nfs/dbraw/zinc/61/14/28/431611428.db2.gz HRPOLKDJJOLTGM-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@H]1CCC[NH2+]CC1 ZINC000647521658 431614133 /nfs/dbraw/zinc/61/41/33/431614133.db2.gz SSWDJRRQUWPQSR-SFHVURJKSA-N 3 1 319.493 2.591 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000660829745 431616740 /nfs/dbraw/zinc/61/67/40/431616740.db2.gz GKZWZDMKXWBJGU-OALUTQOASA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000660829745 431616744 /nfs/dbraw/zinc/61/67/44/431616744.db2.gz GKZWZDMKXWBJGU-OALUTQOASA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccc(F)cc1 ZINC000660829745 431616748 /nfs/dbraw/zinc/61/67/48/431616748.db2.gz GKZWZDMKXWBJGU-OALUTQOASA-N 2 1 322.468 2.924 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cnc3ccccn23)C[C@H]1c1ccccc1 ZINC000647536359 431619058 /nfs/dbraw/zinc/61/90/58/431619058.db2.gz BQTOWNFLNFAGNY-AEFFLSMTSA-N 2 1 306.413 2.509 20 0 DFADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nn1C ZINC000647544535 431624290 /nfs/dbraw/zinc/62/42/90/431624290.db2.gz NRVWHDKQCZHTAZ-ZIAGYGMSSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1c(Cl)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nn1C ZINC000647544535 431624297 /nfs/dbraw/zinc/62/42/97/431624297.db2.gz NRVWHDKQCZHTAZ-ZIAGYGMSSA-N 2 1 310.873 2.594 20 0 DFADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545712 431624876 /nfs/dbraw/zinc/62/48/76/431624876.db2.gz IOCITPNHYNKYEY-YESZJQIVSA-N 2 1 300.446 2.874 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647544194 431625176 /nfs/dbraw/zinc/62/51/76/431625176.db2.gz YBBFBJBZNIDAQR-DLBZAZTESA-N 2 1 317.477 2.919 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C1 ZINC000647549164 431628049 /nfs/dbraw/zinc/62/80/49/431628049.db2.gz KOLRLKXQLDFMAG-LSDHHAIUSA-N 2 1 322.880 2.976 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000657309699 431664191 /nfs/dbraw/zinc/66/41/91/431664191.db2.gz QMLZFIVTOKTIHR-RBUKOAKNSA-N 2 1 302.462 2.851 20 0 DFADMP COc1ccsc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650723319 431665240 /nfs/dbraw/zinc/66/52/40/431665240.db2.gz LHDPWSLECZTEEZ-GZBFAFLISA-N 2 1 310.463 2.618 20 0 DFADMP CCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650723754 431666114 /nfs/dbraw/zinc/66/61/14/431666114.db2.gz SXCMOIWYHKVZPB-BPLDGKMQSA-N 2 1 309.479 2.566 20 0 DFADMP CCc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000650723754 431666124 /nfs/dbraw/zinc/66/61/24/431666124.db2.gz SXCMOIWYHKVZPB-BPLDGKMQSA-N 2 1 309.479 2.566 20 0 DFADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723337 431666391 /nfs/dbraw/zinc/66/63/91/431666391.db2.gz LUBUNKUCPJYZAG-CFVMTHIKSA-N 2 1 309.479 2.566 20 0 DFADMP CC[C@@H]1C[C@@H](C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354311156 280525747 /nfs/dbraw/zinc/52/57/47/280525747.db2.gz JJJVEPCXEXVDMA-JZXOWHBKSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cncc(Br)c1C ZINC000657319189 431673284 /nfs/dbraw/zinc/67/32/84/431673284.db2.gz UWOLNOADJVMLRP-UHFFFAOYSA-N 2 1 323.238 2.837 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657315897 431674540 /nfs/dbraw/zinc/67/45/40/431674540.db2.gz SSPIMQDYZNDYDW-LLVKDONJSA-N 2 1 302.340 2.859 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cccc(F)c2OC(F)F)C1 ZINC000657315897 431674544 /nfs/dbraw/zinc/67/45/44/431674544.db2.gz SSPIMQDYZNDYDW-LLVKDONJSA-N 2 1 302.340 2.859 20 0 DFADMP C[N@@H+](CCNCc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657331846 431679982 /nfs/dbraw/zinc/67/99/82/431679982.db2.gz RJTRTZINZYAOPW-UHFFFAOYSA-N 2 1 313.449 2.621 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763982 431684919 /nfs/dbraw/zinc/68/49/19/431684919.db2.gz NKYRMZHSUUGYIM-YLJYHZDGSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763982 431684924 /nfs/dbraw/zinc/68/49/24/431684924.db2.gz NKYRMZHSUUGYIM-YLJYHZDGSA-N 3 1 315.505 2.876 20 0 DFADMP CC[C@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657342726 431689601 /nfs/dbraw/zinc/68/96/01/431689601.db2.gz CHKSXBFEBMUKAN-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657342726 431689607 /nfs/dbraw/zinc/68/96/07/431689607.db2.gz CHKSXBFEBMUKAN-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP Clc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCO2 ZINC000647814242 431697079 /nfs/dbraw/zinc/69/70/79/431697079.db2.gz FJPATQHAQCFVPJ-UHFFFAOYSA-N 2 1 308.809 2.785 20 0 DFADMP Clc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCO2 ZINC000647814242 431697083 /nfs/dbraw/zinc/69/70/83/431697083.db2.gz FJPATQHAQCFVPJ-UHFFFAOYSA-N 2 1 308.809 2.785 20 0 DFADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1ccccc1-c1ccccc1 ZINC000647849167 431706241 /nfs/dbraw/zinc/70/62/41/431706241.db2.gz JWNGQQHRDOJVTJ-UHFFFAOYSA-N 2 1 311.429 2.963 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000647854874 431709306 /nfs/dbraw/zinc/70/93/06/431709306.db2.gz GNUWMOKREWEMQG-KBPBESRZSA-N 2 1 314.433 2.733 20 0 DFADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000657304925 431662529 /nfs/dbraw/zinc/66/25/29/431662529.db2.gz KATJWKAIGAAWIQ-FUHWJXTLSA-N 2 1 322.497 2.691 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901738 431724183 /nfs/dbraw/zinc/72/41/83/431724183.db2.gz UOUBRQMOKABDBB-QFBILLFUSA-N 2 1 318.461 2.928 20 0 DFADMP CC[C@H](C)[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661103121 431731306 /nfs/dbraw/zinc/73/13/06/431731306.db2.gz DUENINGGLUCXQU-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1C ZINC000664315002 431732961 /nfs/dbraw/zinc/73/29/61/431732961.db2.gz PWKIXFRXJNFZIW-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1C ZINC000664315002 431732965 /nfs/dbraw/zinc/73/29/65/431732965.db2.gz PWKIXFRXJNFZIW-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429247 431748072 /nfs/dbraw/zinc/74/80/72/431748072.db2.gz HCSINBPCHCMZOY-HUUCEWRRSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429247 431748080 /nfs/dbraw/zinc/74/80/80/431748080.db2.gz HCSINBPCHCMZOY-HUUCEWRRSA-N 2 1 302.466 2.572 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657434689 431751590 /nfs/dbraw/zinc/75/15/90/431751590.db2.gz HWZKXHNZZJHWKD-KRWDZBQOSA-N 2 1 302.443 2.571 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cccs3)cc2)C1 ZINC000657434689 431751595 /nfs/dbraw/zinc/75/15/95/431751595.db2.gz HWZKXHNZZJHWKD-KRWDZBQOSA-N 2 1 302.443 2.571 20 0 DFADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977996 431762042 /nfs/dbraw/zinc/76/20/42/431762042.db2.gz KTOQTNBTLVAEPG-HUUCEWRRSA-N 2 1 303.450 2.765 20 0 DFADMP C[C@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647976909 431762472 /nfs/dbraw/zinc/76/24/72/431762472.db2.gz VYDFFCFDQHXQQX-ZACQAIPSSA-N 2 1 321.509 2.535 20 0 DFADMP CCCCc1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976884 431763337 /nfs/dbraw/zinc/76/33/37/431763337.db2.gz VSCOMDOLDAWVEC-HUUCEWRRSA-N 2 1 306.454 2.624 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977804 431763483 /nfs/dbraw/zinc/76/34/83/431763483.db2.gz HSWCMHZTMBSXCW-HZPDHXFCSA-N 2 1 320.481 2.870 20 0 DFADMP Fc1ccc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647878385 431717116 /nfs/dbraw/zinc/71/71/16/431717116.db2.gz AOIGBUXNKBJFEN-GOSISDBHSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1ccc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647878385 431717122 /nfs/dbraw/zinc/71/71/22/431717122.db2.gz AOIGBUXNKBJFEN-GOSISDBHSA-N 2 1 306.425 2.979 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000657386305 431718561 /nfs/dbraw/zinc/71/85/61/431718561.db2.gz DTRUUQRAFGAEAQ-UHFFFAOYSA-N 2 1 302.466 2.794 20 0 DFADMP Cc1ccc(CC[N@@H+](C[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)cc1 ZINC000647889380 431719320 /nfs/dbraw/zinc/71/93/20/431719320.db2.gz LKZNBRFUKFUTNP-OALUTQOASA-N 2 1 302.462 2.628 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@H]1CCC[C@H]([NH3+])C1 ZINC000361720119 280680263 /nfs/dbraw/zinc/68/02/63/280680263.db2.gz XPNLEUGANSOIIQ-JYJNAYRXSA-N 2 1 318.465 2.515 20 0 DFADMP OC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000657558152 431807664 /nfs/dbraw/zinc/80/76/64/431807664.db2.gz AOWILMFHZYPWLT-MOPGFXCFSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000657558152 431807666 /nfs/dbraw/zinc/80/76/66/431807666.db2.gz AOWILMFHZYPWLT-MOPGFXCFSA-N 2 1 314.473 2.934 20 0 DFADMP CC[C@@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1ccccc1 ZINC000648071579 431808173 /nfs/dbraw/zinc/80/81/73/431808173.db2.gz JKPVXWYKYUSMFP-KRWDZBQOSA-N 2 1 302.462 2.977 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000657561337 431810876 /nfs/dbraw/zinc/81/08/76/431810876.db2.gz FUQMRPJUZCVXSF-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000657561337 431810878 /nfs/dbraw/zinc/81/08/78/431810878.db2.gz FUQMRPJUZCVXSF-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561337 431810883 /nfs/dbraw/zinc/81/08/83/431810883.db2.gz FUQMRPJUZCVXSF-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561337 431810885 /nfs/dbraw/zinc/81/08/85/431810885.db2.gz FUQMRPJUZCVXSF-BHIYHBOVSA-N 2 1 315.505 2.969 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(C[C@H]4CC[NH2+]C4)CC[C@H]32)cc1 ZINC000647990922 431765980 /nfs/dbraw/zinc/76/59/80/431765980.db2.gz VGJPHXWUORTZFX-XUVXKRRUSA-N 2 1 313.489 2.582 20 0 DFADMP COC[C@@H](Cc1ccccc1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990773 431766040 /nfs/dbraw/zinc/76/60/40/431766040.db2.gz FYIGAFPWQZFTHY-LJQANCHMSA-N 2 1 304.478 2.956 20 0 DFADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647990772 431767086 /nfs/dbraw/zinc/76/70/86/431767086.db2.gz FYIGAFPWQZFTHY-IBGZPJMESA-N 2 1 304.478 2.956 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000657470092 431768816 /nfs/dbraw/zinc/76/88/16/431768816.db2.gz MGHZODVZSMZBGP-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCO[C@H]1c1cnn(CC)c1 ZINC000657470092 431768823 /nfs/dbraw/zinc/76/88/23/431768823.db2.gz MGHZODVZSMZBGP-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000657595502 431820834 /nfs/dbraw/zinc/82/08/34/431820834.db2.gz IEENLUIGMGMOFV-SFHVURJKSA-N 2 1 316.470 2.913 20 0 DFADMP Cc1ccccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657596817 431821868 /nfs/dbraw/zinc/82/18/68/431821868.db2.gz ZFKOKWVPEMSBPH-FQEVSTJZSA-N 2 1 310.441 2.851 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648158440 431828141 /nfs/dbraw/zinc/82/81/41/431828141.db2.gz LHABRHKPMJGCAT-CVEARBPZSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000648158440 431828148 /nfs/dbraw/zinc/82/81/48/431828148.db2.gz LHABRHKPMJGCAT-CVEARBPZSA-N 2 1 323.868 2.576 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@H](C)C2 ZINC000272240576 281091836 /nfs/dbraw/zinc/09/18/36/281091836.db2.gz GOVGBGABFXGYGA-BEFAXECRSA-N 2 1 302.462 2.665 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H](C)C2 ZINC000180467992 281116903 /nfs/dbraw/zinc/11/69/03/281116903.db2.gz DXVBDXTYJKCFDY-YLJYHZDGSA-N 2 1 315.505 2.846 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c1C ZINC000302088407 282073053 /nfs/dbraw/zinc/07/30/53/282073053.db2.gz OJOWKKMOZJQOSR-KBPBESRZSA-N 2 1 313.445 2.743 20 0 DFADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@H+]3C)cc2)C1 ZINC000299501319 533692334 /nfs/dbraw/zinc/69/23/34/533692334.db2.gz IARNRNRNMPHNOI-CRAIPNDOSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH+]3C)cc2)C1 ZINC000299501319 533692317 /nfs/dbraw/zinc/69/23/17/533692317.db2.gz IARNRNRNMPHNOI-CRAIPNDOSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[N@@H+]3C)cc2)C1 ZINC000299501319 533692326 /nfs/dbraw/zinc/69/23/26/533692326.db2.gz IARNRNRNMPHNOI-CRAIPNDOSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755644 290017353 /nfs/dbraw/zinc/01/73/53/290017353.db2.gz PYPDHMFROUQSLZ-DXEWXGHRSA-N 2 1 316.449 2.701 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc([S@@](C)=O)cc1 ZINC000271564876 290031063 /nfs/dbraw/zinc/03/10/63/290031063.db2.gz UWHSYZQLWIHRMI-QQNUQXGMSA-N 2 1 308.491 2.803 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CCC1 ZINC000275685225 297032547 /nfs/dbraw/zinc/03/25/47/297032547.db2.gz IQTQWEOXYQMIFF-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000437343274 297059990 /nfs/dbraw/zinc/05/99/90/297059990.db2.gz CKFUPHSNMIDGSC-INIZCTEOSA-N 2 1 310.482 2.962 20 0 DFADMP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000437846705 297072142 /nfs/dbraw/zinc/07/21/42/297072142.db2.gz BGVGTHSGTROAOS-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C1(C)C ZINC000363685460 295434218 /nfs/dbraw/zinc/43/42/18/295434218.db2.gz IIAFAXVNVVCKHE-OWCLPIDISA-N 2 1 305.466 2.875 20 0 DFADMP Cc1cccc(NCC2(O)CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000397588277 295487831 /nfs/dbraw/zinc/48/78/31/295487831.db2.gz KMMPXBWRKHLZOD-UHFFFAOYSA-N 2 1 311.429 2.829 20 0 DFADMP CC1CC[NH+](CCCNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000438575784 297099704 /nfs/dbraw/zinc/09/97/04/297099704.db2.gz FZTIUBMJCAYKDK-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@H](C)CC[NH+](C)C ZINC000439085748 297114515 /nfs/dbraw/zinc/11/45/15/297114515.db2.gz KOYTYHGCNMRDAM-OLZOCXBDSA-N 2 1 307.438 2.644 20 0 DFADMP Cc1ccccc1CCC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000440328074 297149991 /nfs/dbraw/zinc/14/99/91/297149991.db2.gz RYIBBZZGUZSECF-KRWDZBQOSA-N 2 1 304.478 2.705 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000440328715 297150192 /nfs/dbraw/zinc/15/01/92/297150192.db2.gz PNWMGOJZSLYWCA-CYBMUJFWSA-N 2 1 314.458 2.779 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000440328715 297150193 /nfs/dbraw/zinc/15/01/93/297150193.db2.gz PNWMGOJZSLYWCA-CYBMUJFWSA-N 2 1 314.458 2.779 20 0 DFADMP COC(=O)CC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000440693072 297161692 /nfs/dbraw/zinc/16/16/92/297161692.db2.gz MCYPYKKCXMJFGX-IRXDYDNUSA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000440693072 297161693 /nfs/dbraw/zinc/16/16/93/297161693.db2.gz MCYPYKKCXMJFGX-IRXDYDNUSA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000440693072 297161695 /nfs/dbraw/zinc/16/16/95/297161695.db2.gz MCYPYKKCXMJFGX-IRXDYDNUSA-N 2 1 322.493 2.916 20 0 DFADMP COC(=O)CC1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000440693072 297161697 /nfs/dbraw/zinc/16/16/97/297161697.db2.gz MCYPYKKCXMJFGX-IRXDYDNUSA-N 2 1 322.493 2.916 20 0 DFADMP CCc1ccc(CC[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000441262297 297177652 /nfs/dbraw/zinc/17/76/52/297177652.db2.gz VPVRWUWAHFEAEV-HSALFYBXSA-N 2 1 316.489 2.975 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C/C=C\c2ccc(F)cc2F)CC1(C)C ZINC000441333367 297180021 /nfs/dbraw/zinc/18/00/21/297180021.db2.gz LUQAGINOVFFMKZ-PLNGDYQASA-N 2 1 323.431 2.594 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000441349999 297180405 /nfs/dbraw/zinc/18/04/05/297180405.db2.gz HCULDVDWCIYKKO-UONOGXRCSA-N 2 1 321.431 2.723 20 0 DFADMP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000442247259 297193224 /nfs/dbraw/zinc/19/32/24/297193224.db2.gz FJMCRIFYJQQYCT-HTWSVDAQSA-N 2 1 321.509 2.630 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000442761011 297205167 /nfs/dbraw/zinc/20/51/67/297205167.db2.gz BBXAARQGRURRMQ-XYPWUTKMSA-N 2 1 304.434 2.679 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785337 297205770 /nfs/dbraw/zinc/20/57/70/297205770.db2.gz VNSRDPOVLIBJMH-HZSPNIEDSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442785337 297205771 /nfs/dbraw/zinc/20/57/71/297205771.db2.gz VNSRDPOVLIBJMH-HZSPNIEDSA-N 2 1 323.868 2.529 20 0 DFADMP C[N@@H+](CCCOCCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442790579 297206131 /nfs/dbraw/zinc/20/61/31/297206131.db2.gz LVOIYNIZEBTFSY-DFNIBXOVSA-N 2 1 302.462 2.851 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442793801 297206311 /nfs/dbraw/zinc/20/63/11/297206311.db2.gz SCLBVIYEJIGOON-ILXRZTDVSA-N 2 1 303.450 2.806 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442793801 297206312 /nfs/dbraw/zinc/20/63/12/297206312.db2.gz SCLBVIYEJIGOON-ILXRZTDVSA-N 2 1 303.450 2.806 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000443058155 297213888 /nfs/dbraw/zinc/21/38/88/297213888.db2.gz JMDFMLVQPZGFQJ-OAHLLOKOSA-N 2 1 314.433 2.730 20 0 DFADMP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443061670 297214333 /nfs/dbraw/zinc/21/43/33/297214333.db2.gz SBLGDKKKFCBEPU-CYBMUJFWSA-N 2 1 304.413 2.756 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061996 297214554 /nfs/dbraw/zinc/21/45/54/297214554.db2.gz SYKOHNDAGDOHMH-AWEZNQCLSA-N 2 1 321.490 2.798 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CS[C@H](C(C)(C)C)C2)CC1(C)C ZINC000443068367 297214748 /nfs/dbraw/zinc/21/47/48/297214748.db2.gz KNBBBOUUEPJPRL-CABCVRRESA-N 2 1 313.555 2.522 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1)C1CC1 ZINC000444268884 297234793 /nfs/dbraw/zinc/23/47/93/297234793.db2.gz WIFPZYIPRIVETG-QGZVFWFLSA-N 2 1 315.461 2.543 20 0 DFADMP Cc1ccc(NC(=O)CC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)nc1 ZINC000447314376 297300758 /nfs/dbraw/zinc/30/07/58/297300758.db2.gz UYWBJRQARIPJMH-MRXNPFEDSA-N 2 1 318.465 2.525 20 0 DFADMP Cc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)nc1 ZINC000447314376 297300761 /nfs/dbraw/zinc/30/07/61/297300761.db2.gz UYWBJRQARIPJMH-MRXNPFEDSA-N 2 1 318.465 2.525 20 0 DFADMP Cc1ccc(NC(=O)CC[NH+](C)CC[C@H]2CCCC[N@H+]2C)nc1 ZINC000447314376 297300762 /nfs/dbraw/zinc/30/07/62/297300762.db2.gz UYWBJRQARIPJMH-MRXNPFEDSA-N 2 1 318.465 2.525 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000447454401 297304326 /nfs/dbraw/zinc/30/43/26/297304326.db2.gz XTJHWAQRVMTHHH-IEBWSBKVSA-N 2 1 317.477 2.631 20 0 DFADMP C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552019 297342534 /nfs/dbraw/zinc/34/25/34/297342534.db2.gz JCOKINCLDFJOIS-ICSRJNTNSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552019 297342536 /nfs/dbraw/zinc/34/25/36/297342536.db2.gz JCOKINCLDFJOIS-ICSRJNTNSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552019 297342539 /nfs/dbraw/zinc/34/25/39/297342539.db2.gz JCOKINCLDFJOIS-ICSRJNTNSA-N 2 1 315.505 2.925 20 0 DFADMP CCOC(=O)c1cc(CNCCC[N@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000449062523 297399134 /nfs/dbraw/zinc/39/91/34/297399134.db2.gz LYWVDUGVCQYPHP-AWEZNQCLSA-N 2 1 321.465 2.854 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000449062523 297399136 /nfs/dbraw/zinc/39/91/36/297399136.db2.gz LYWVDUGVCQYPHP-AWEZNQCLSA-N 2 1 321.465 2.854 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)[nH]c1C ZINC000449062523 297399137 /nfs/dbraw/zinc/39/91/37/297399137.db2.gz LYWVDUGVCQYPHP-AWEZNQCLSA-N 2 1 321.465 2.854 20 0 DFADMP Cc1nn(-c2ccncc2)cc1C[NH2+]C(C)(C)CCC[NH+](C)C ZINC000449527814 297487021 /nfs/dbraw/zinc/48/70/21/297487021.db2.gz LDQKOKJKXXOVQU-UHFFFAOYSA-N 2 1 315.465 2.786 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCc2ccccc2CC1 ZINC000453122614 298064928 /nfs/dbraw/zinc/06/49/28/298064928.db2.gz YDDWYATXOJQPRI-HXUWFJFHSA-N 2 1 316.489 2.761 20 0 DFADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453216191 298071912 /nfs/dbraw/zinc/07/19/12/298071912.db2.gz GJCNVFKABDSKBU-OTWHNJEPSA-N 2 1 301.478 2.581 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453251847 298075566 /nfs/dbraw/zinc/07/55/66/298075566.db2.gz MCGUPHWLPKBFGT-SLFFLAALSA-N 2 1 324.472 2.985 20 0 DFADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453356082 298086611 /nfs/dbraw/zinc/08/66/11/298086611.db2.gz HTHVCVVTQHAAJC-APAFKAMOSA-N 2 1 300.446 2.543 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453391245 298089120 /nfs/dbraw/zinc/08/91/20/298089120.db2.gz SXMZPGOSPFRUNI-UHZRXMQZSA-N 2 1 314.473 2.933 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@@H](c1nnc[nH]1)C1CCCCC1)C1CC1 ZINC000453397472 298090067 /nfs/dbraw/zinc/09/00/67/298090067.db2.gz JMBTTXQVQAZITN-MRXNPFEDSA-N 2 1 305.470 2.890 20 0 DFADMP Cc1cnc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000453398301 298090113 /nfs/dbraw/zinc/09/01/13/298090113.db2.gz KMNYZEHEDXIBPA-UHFFFAOYSA-N 2 1 324.472 2.624 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCN(Cc2cccnc2)CC1)C1CC1 ZINC000453399780 298090742 /nfs/dbraw/zinc/09/07/42/298090742.db2.gz LJNQLXMJMIDZMW-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1cccc(-n2ccnn2)c1 ZINC000453420102 298092673 /nfs/dbraw/zinc/09/26/73/298092673.db2.gz ZCSKSWDKIFETJV-OAHLLOKOSA-N 2 1 313.449 2.792 20 0 DFADMP C[C@H](C(=O)NCCCCC[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357090524 298152457 /nfs/dbraw/zinc/15/24/57/298152457.db2.gz RZJNRWUWQDTQLR-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP CCCC[N@@H+](CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O)[C@H](C)CC ZINC000496385547 300055956 /nfs/dbraw/zinc/05/59/56/300055956.db2.gz UDJXEUKWZVICPX-CRAIPNDOSA-N 2 1 323.481 2.761 20 0 DFADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000503269227 300219484 /nfs/dbraw/zinc/21/94/84/300219484.db2.gz YJPXWFOTYNNHKC-QFBILLFUSA-N 2 1 316.493 2.579 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]CCc2c[nH+]cn2C)CCCN1Cc1ccccc1 ZINC000514618977 300263077 /nfs/dbraw/zinc/26/30/77/300263077.db2.gz PCDHOGWSBPHTBD-APWZRJJASA-N 2 1 312.461 2.605 20 0 DFADMP C[N@@H+](CCC(=O)NCC[NH+]1CCCC1(C)C)C1CCCCC1 ZINC000514657288 300264344 /nfs/dbraw/zinc/26/43/44/300264344.db2.gz PLBDFXORUNANCF-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCC(=O)NCC[N@@H+]1CCCC1(C)C)C1CCCCC1 ZINC000514657288 300264347 /nfs/dbraw/zinc/26/43/47/300264347.db2.gz PLBDFXORUNANCF-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCC(=O)NCC[N@H+]1CCCC1(C)C)C1CCCCC1 ZINC000514657288 300264349 /nfs/dbraw/zinc/26/43/49/300264349.db2.gz PLBDFXORUNANCF-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP c1c2ccccc2oc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000514666961 300265093 /nfs/dbraw/zinc/26/50/93/300265093.db2.gz DRZPSEKLZNBRIW-GVDBMIGSSA-N 2 1 300.402 2.680 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@@H]3CCOC3)C2)s1 ZINC000515018984 300284969 /nfs/dbraw/zinc/28/49/69/300284969.db2.gz NJFXXFOTQOEVGT-CVEARBPZSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCOC3)C2)s1 ZINC000515018984 300284970 /nfs/dbraw/zinc/28/49/70/300284970.db2.gz NJFXXFOTQOEVGT-CVEARBPZSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCOC3)C2)s1 ZINC000515018984 300284972 /nfs/dbraw/zinc/28/49/72/300284972.db2.gz NJFXXFOTQOEVGT-CVEARBPZSA-N 2 1 308.491 2.847 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1ccc(OC(F)F)c(Br)c1 ZINC000515176394 300293163 /nfs/dbraw/zinc/29/31/63/300293163.db2.gz LXTXOWMFTRPXPD-UHFFFAOYSA-N 2 1 323.181 2.831 20 0 DFADMP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c(C)c1 ZINC000516625029 300352177 /nfs/dbraw/zinc/35/21/77/300352177.db2.gz PELRMPZIQWIEDT-UHFFFAOYSA-N 2 1 324.428 2.703 20 0 DFADMP Cc1ncc(CN[C@H](c2ccc(F)cc2)[C@H]2CCCO2)n1C ZINC000517395877 300395616 /nfs/dbraw/zinc/39/56/16/300395616.db2.gz TXQNWNQBBYKJGY-IAGOWNOFSA-N 2 1 303.381 2.878 20 0 DFADMP CCCc1csc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)n1 ZINC000521582386 300531515 /nfs/dbraw/zinc/53/15/15/300531515.db2.gz LIPUAWXZDVIORY-RDJZCZTQSA-N 2 1 323.506 2.814 20 0 DFADMP CCOc1cc(C[NH2+]CCn2cc[nH+]c2C)c(F)cc1OC ZINC000527650689 300666461 /nfs/dbraw/zinc/66/64/61/300666461.db2.gz RPIZXKXDCCMYPE-UHFFFAOYSA-N 2 1 307.369 2.528 20 0 DFADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000530024875 301005984 /nfs/dbraw/zinc/00/59/84/301005984.db2.gz YBBUOLKQMGCWRY-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000530024875 301005988 /nfs/dbraw/zinc/00/59/88/301005988.db2.gz YBBUOLKQMGCWRY-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000530024875 301005991 /nfs/dbraw/zinc/00/59/91/301005991.db2.gz YBBUOLKQMGCWRY-QZTJIDSGSA-N 2 1 319.493 2.527 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1 ZINC000530178674 301026100 /nfs/dbraw/zinc/02/61/00/301026100.db2.gz PUTODBVXAVMJNK-WBVHZDCISA-N 2 1 315.461 2.895 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1C ZINC000530177954 301026264 /nfs/dbraw/zinc/02/62/64/301026264.db2.gz LWFDGEVLVOLPHF-YOEHRIQHSA-N 2 1 315.461 2.895 20 0 DFADMP CC[N@@H+](C[C@H](Cc1ccc(F)cc1)OC)[C@H]1CCC[NH2+]CC1 ZINC000530219448 301031021 /nfs/dbraw/zinc/03/10/21/301031021.db2.gz PPILBSZHYLSLSV-ROUUACIJSA-N 2 1 308.441 2.847 20 0 DFADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530219689 301031105 /nfs/dbraw/zinc/03/11/05/301031105.db2.gz HXFIKFUHGUZQFZ-CHWSQXEVSA-N 2 1 313.367 2.922 20 0 DFADMP C[C@@H](NCC[N@@H+]1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728695 301106505 /nfs/dbraw/zinc/10/65/05/301106505.db2.gz FCYUWWZRZXLFBZ-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728695 301106507 /nfs/dbraw/zinc/10/65/07/301106507.db2.gz FCYUWWZRZXLFBZ-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H](NCC[N@@H+]1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728473 301106655 /nfs/dbraw/zinc/10/66/55/301106655.db2.gz XPIDXWPYACBTJL-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H](NCC[N@H+]1CC[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000531728473 301106657 /nfs/dbraw/zinc/10/66/57/301106657.db2.gz XPIDXWPYACBTJL-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000531936117 301119786 /nfs/dbraw/zinc/11/97/86/301119786.db2.gz HSFKOTZURRPPJK-GRDNDAEWSA-N 2 1 303.450 2.853 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000531936117 301119788 /nfs/dbraw/zinc/11/97/88/301119788.db2.gz HSFKOTZURRPPJK-GRDNDAEWSA-N 2 1 303.450 2.853 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000531936116 301119820 /nfs/dbraw/zinc/11/98/20/301119820.db2.gz HSFKOTZURRPPJK-CKEIUWERSA-N 2 1 303.450 2.853 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000531936116 301119822 /nfs/dbraw/zinc/11/98/22/301119822.db2.gz HSFKOTZURRPPJK-CKEIUWERSA-N 2 1 303.450 2.853 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980303 301123546 /nfs/dbraw/zinc/12/35/46/301123546.db2.gz WQOYPAGGSDPOQP-WWGRRREGSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980303 301123548 /nfs/dbraw/zinc/12/35/48/301123548.db2.gz WQOYPAGGSDPOQP-WWGRRREGSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235223 301138622 /nfs/dbraw/zinc/13/86/22/301138622.db2.gz RXNWSMQFCIIGRJ-WWGRRREGSA-N 2 1 301.434 2.705 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532235223 301138624 /nfs/dbraw/zinc/13/86/24/301138624.db2.gz RXNWSMQFCIIGRJ-WWGRRREGSA-N 2 1 301.434 2.705 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239221 301139044 /nfs/dbraw/zinc/13/90/44/301139044.db2.gz KDTJTYWPHZOBOG-WSTZPKSXSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239221 301139045 /nfs/dbraw/zinc/13/90/45/301139045.db2.gz KDTJTYWPHZOBOG-WSTZPKSXSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239221 301139046 /nfs/dbraw/zinc/13/90/46/301139046.db2.gz KDTJTYWPHZOBOG-WSTZPKSXSA-N 2 1 315.505 2.828 20 0 DFADMP COc1ccc2c(c1)[C@H](NCC[N@@H+]1CC[C@H](C)C1)CCCO2 ZINC000532530227 301158323 /nfs/dbraw/zinc/15/83/23/301158323.db2.gz IEUMUOIKVFPJSP-WMLDXEAASA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc2c(c1)[C@H](NCC[N@H+]1CC[C@H](C)C1)CCCO2 ZINC000532530227 301158326 /nfs/dbraw/zinc/15/83/26/301158326.db2.gz IEUMUOIKVFPJSP-WMLDXEAASA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1ccncc1 ZINC000532641637 301165094 /nfs/dbraw/zinc/16/50/94/301165094.db2.gz UDWLHIVJHNDBKX-YLJYHZDGSA-N 2 1 324.472 2.721 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000533817507 301213734 /nfs/dbraw/zinc/21/37/34/301213734.db2.gz XQXRQHFENQSCLJ-KRWDZBQOSA-N 2 1 307.507 2.740 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000533817507 301213735 /nfs/dbraw/zinc/21/37/35/301213735.db2.gz XQXRQHFENQSCLJ-KRWDZBQOSA-N 2 1 307.507 2.740 20 0 DFADMP CCCCc1noc([C@H](C)[N@@H+]2CC[C@@H](c3nccn3C)C2)n1 ZINC000533865893 301214926 /nfs/dbraw/zinc/21/49/26/301214926.db2.gz GBPIVNDPXUCDND-QWHCGFSZSA-N 2 1 303.410 2.696 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000534579235 301234539 /nfs/dbraw/zinc/23/45/39/301234539.db2.gz HCYMIPBNVXNGAA-LSDHHAIUSA-N 2 1 312.417 2.545 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)N1CC[C@@H](c2nccn2C)C1 ZINC000534579235 301234541 /nfs/dbraw/zinc/23/45/41/301234541.db2.gz HCYMIPBNVXNGAA-LSDHHAIUSA-N 2 1 312.417 2.545 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCC(C)(C)C3)C2)CC1 ZINC000535087305 301248477 /nfs/dbraw/zinc/24/84/77/301248477.db2.gz JMHBHSGDNBIYNT-ZWKOTPCHSA-N 2 1 307.526 2.915 20 0 DFADMP CCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000536664471 301287392 /nfs/dbraw/zinc/28/73/92/301287392.db2.gz DLTACTDNTQXYPX-CRAIPNDOSA-N 2 1 321.534 2.768 20 0 DFADMP CCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)s1 ZINC000537619645 301306067 /nfs/dbraw/zinc/30/60/67/301306067.db2.gz GDPGPTGMSQMZFO-INIZCTEOSA-N 2 1 321.534 2.911 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1)CC(C)C ZINC000540237355 301360368 /nfs/dbraw/zinc/36/03/68/301360368.db2.gz UERCYJYAWSIXSM-GOSISDBHSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1)CC(C)C ZINC000540237355 301360371 /nfs/dbraw/zinc/36/03/71/301360371.db2.gz UERCYJYAWSIXSM-GOSISDBHSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1)CC(C)C ZINC000540237355 301360374 /nfs/dbraw/zinc/36/03/74/301360374.db2.gz UERCYJYAWSIXSM-GOSISDBHSA-N 2 1 323.525 2.545 20 0 DFADMP COC(=O)[C@@H](C1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000541057458 301381990 /nfs/dbraw/zinc/38/19/90/301381990.db2.gz LTJUQQOFPPWRRE-CRAIPNDOSA-N 2 1 322.493 2.915 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCc1ccccc1O ZINC000541551225 301389443 /nfs/dbraw/zinc/38/94/43/301389443.db2.gz GQKKZSMIWXKDSH-UHFFFAOYSA-N 2 1 322.412 2.956 20 0 DFADMP CC[C@H](C)CCC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000556792729 301810544 /nfs/dbraw/zinc/81/05/44/301810544.db2.gz DGEIIKNMMGDEAU-AWEZNQCLSA-N 2 1 304.438 2.598 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)c2cc(C)n(C)c2C)CC1 ZINC000556803519 301811243 /nfs/dbraw/zinc/81/12/43/301811243.db2.gz OCPRWIPAGHJWHP-UHFFFAOYSA-N 2 1 319.493 2.878 20 0 DFADMP C=Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1 ZINC000560058707 301882183 /nfs/dbraw/zinc/88/21/83/301882183.db2.gz VBZVSVSLWYJYSV-UHFFFAOYSA-N 2 1 322.412 2.729 20 0 DFADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000562955471 302017353 /nfs/dbraw/zinc/01/73/53/302017353.db2.gz YWEIYDIEUJCHKP-COMQUAJESA-N 2 1 309.479 2.800 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000562955471 302017355 /nfs/dbraw/zinc/01/73/55/302017355.db2.gz YWEIYDIEUJCHKP-COMQUAJESA-N 2 1 309.479 2.800 20 0 DFADMP C[C@@H](CCN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562958378 302018197 /nfs/dbraw/zinc/01/81/97/302018197.db2.gz CLPGEAWWINBIDX-JENIJYKNSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562958378 302018200 /nfs/dbraw/zinc/01/82/00/302018200.db2.gz CLPGEAWWINBIDX-JENIJYKNSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562958378 302018201 /nfs/dbraw/zinc/01/82/01/302018201.db2.gz CLPGEAWWINBIDX-JENIJYKNSA-N 3 1 303.494 2.875 20 0 DFADMP Cc1cccc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261926848 302029509 /nfs/dbraw/zinc/02/95/09/302029509.db2.gz LEBZTUZNRYFFSN-QXCFHYIPSA-N 2 1 302.462 2.845 20 0 DFADMP Cc1ncncc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000563418345 302070104 /nfs/dbraw/zinc/07/01/04/302070104.db2.gz OISCDQLMRKTGAL-AWEZNQCLSA-N 2 1 314.433 2.576 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000261985723 302094233 /nfs/dbraw/zinc/09/42/33/302094233.db2.gz SCOYXOXCWUMRRP-QXAKKESOSA-N 2 1 314.473 2.773 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CCC(C)(C)O)C2)s1 ZINC000563889086 302106446 /nfs/dbraw/zinc/10/64/46/302106446.db2.gz GEAWEIOJTKCNCD-HNNXBMFYSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CCC(C)(C)O)C2)s1 ZINC000563889086 302106448 /nfs/dbraw/zinc/10/64/48/302106448.db2.gz GEAWEIOJTKCNCD-HNNXBMFYSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CCC(C)(C)O)C2)s1 ZINC000563889086 302106449 /nfs/dbraw/zinc/10/64/49/302106449.db2.gz GEAWEIOJTKCNCD-HNNXBMFYSA-N 2 1 310.507 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000564782391 302158208 /nfs/dbraw/zinc/15/82/08/302158208.db2.gz PKWSOIKIHGCXKS-VXGBXAGGSA-N 2 1 312.255 2.837 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(Br)cn2)C1 ZINC000564782391 302158209 /nfs/dbraw/zinc/15/82/09/302158209.db2.gz PKWSOIKIHGCXKS-VXGBXAGGSA-N 2 1 312.255 2.837 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000564615982 302144448 /nfs/dbraw/zinc/14/44/48/302144448.db2.gz MMIBTWWWOGZXLW-STQMWFEESA-N 2 1 309.417 2.754 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564846886 302163838 /nfs/dbraw/zinc/16/38/38/302163838.db2.gz UUOSPROQJAUFQH-MOPGFXCFSA-N 2 1 304.478 2.690 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)CCc2ccccc2)C1 ZINC000564846889 302163864 /nfs/dbraw/zinc/16/38/64/302163864.db2.gz UUOSPROQJAUFQH-RTBURBONSA-N 2 1 304.478 2.690 20 0 DFADMP Cc1ccccc1CCC[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000565163031 302199543 /nfs/dbraw/zinc/19/95/43/302199543.db2.gz JLFMHIMVYSKYQA-UHFFFAOYSA-N 2 1 304.478 2.753 20 0 DFADMP CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000565224879 302209793 /nfs/dbraw/zinc/20/97/93/302209793.db2.gz AHJSBTAYKUZDTR-ZWKOTPCHSA-N 2 1 301.478 2.683 20 0 DFADMP CC(C)(CN[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000565224879 302209795 /nfs/dbraw/zinc/20/97/95/302209795.db2.gz AHJSBTAYKUZDTR-ZWKOTPCHSA-N 2 1 301.478 2.683 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000565225299 302210141 /nfs/dbraw/zinc/21/01/41/302210141.db2.gz CGPZHGHBGNUYID-SCTDSRPQSA-N 2 1 317.477 2.692 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000565299498 302216341 /nfs/dbraw/zinc/21/63/41/302216341.db2.gz VKEMDBLJUWAKMD-QZTJIDSGSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(C)CCC[NH2+]3)cc2)C1 ZINC000565424130 302224490 /nfs/dbraw/zinc/22/44/90/302224490.db2.gz YXGWRJBXBZTCJL-DNVCBOLYSA-N 2 1 315.461 2.999 20 0 DFADMP COc1c(C)cc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)cc1C ZINC000565567901 302230047 /nfs/dbraw/zinc/23/00/47/302230047.db2.gz URRIIMWSXWEROH-UHFFFAOYSA-N 2 1 321.509 2.627 20 0 DFADMP COc1cc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)ccc1OC(F)F ZINC000565598658 302232072 /nfs/dbraw/zinc/23/20/72/302232072.db2.gz UUVSORDGMNPLLI-MRXNPFEDSA-N 2 1 314.376 2.728 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)ccc1OC(F)F ZINC000565598658 302232075 /nfs/dbraw/zinc/23/20/75/302232075.db2.gz UUVSORDGMNPLLI-MRXNPFEDSA-N 2 1 314.376 2.728 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000565659258 302236065 /nfs/dbraw/zinc/23/60/65/302236065.db2.gz WXLUHHJIQHBTGO-LLVKDONJSA-N 2 1 320.824 2.550 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000565659258 302236067 /nfs/dbraw/zinc/23/60/67/302236067.db2.gz WXLUHHJIQHBTGO-LLVKDONJSA-N 2 1 320.824 2.550 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000565887589 302246787 /nfs/dbraw/zinc/24/67/87/302246787.db2.gz WQCZLTBAUMROQB-SCTDSRPQSA-N 2 1 304.478 2.719 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000566091069 302258557 /nfs/dbraw/zinc/25/85/57/302258557.db2.gz ZRYXJCWDEUBZDP-NVXWUHKLSA-N 2 1 321.465 2.507 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089173 302258610 /nfs/dbraw/zinc/25/86/10/302258610.db2.gz APELTVJLGHGUEH-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCN1Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000566089173 302258613 /nfs/dbraw/zinc/25/86/13/302258613.db2.gz APELTVJLGHGUEH-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP Cc1ccc(C)c([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1 ZINC000566103586 302259880 /nfs/dbraw/zinc/25/98/80/302259880.db2.gz BBQHRCJWEUOBDO-CQSZACIVSA-N 2 1 313.449 2.739 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1ccc(Cl)cc1 ZINC000566106532 302259981 /nfs/dbraw/zinc/25/99/81/302259981.db2.gz SZJWLUKZRRHUSZ-CVEARBPZSA-N 2 1 321.852 2.885 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)Nc1ccc(Cl)cc1 ZINC000566106532 302259983 /nfs/dbraw/zinc/25/99/83/302259983.db2.gz SZJWLUKZRRHUSZ-CVEARBPZSA-N 2 1 321.852 2.885 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC2(C[NH3+])CC2)CC1 ZINC000566293882 302275998 /nfs/dbraw/zinc/27/59/98/302275998.db2.gz JAYOGIBAQZPHHI-MRXNPFEDSA-N 2 1 321.509 2.619 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000566300326 302276649 /nfs/dbraw/zinc/27/66/49/302276649.db2.gz KEDRGWPWJWIASQ-GPMSIDNRSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000566300326 302276650 /nfs/dbraw/zinc/27/66/50/302276650.db2.gz KEDRGWPWJWIASQ-GPMSIDNRSA-N 2 1 317.477 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000566300326 302276652 /nfs/dbraw/zinc/27/66/52/302276652.db2.gz KEDRGWPWJWIASQ-GPMSIDNRSA-N 2 1 317.477 2.868 20 0 DFADMP C[C@H](CC(=O)N1C[C@@H]2CCC[N@H+]2Cc2ccccc21)n1ccnc1 ZINC000566309434 302278526 /nfs/dbraw/zinc/27/85/26/302278526.db2.gz ZOTGOXIETSLERK-WBVHZDCISA-N 2 1 324.428 2.845 20 0 DFADMP CC[C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567484165 302362876 /nfs/dbraw/zinc/36/28/76/302362876.db2.gz IMQBUAVADQYUSW-JKSUJKDBSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1nn(C(C)(C)C)cc1[C@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000574050956 302737921 /nfs/dbraw/zinc/73/79/21/302737921.db2.gz NIHYDGPTYKNJOB-ZDUSSCGKSA-N 2 1 303.454 2.963 20 0 DFADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)cc1 ZINC000168318562 315893099 /nfs/dbraw/zinc/89/30/99/315893099.db2.gz DNCJZCHQZAMBCQ-JKSUJKDBSA-N 2 1 320.477 2.888 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(CC)CC ZINC000181751174 316070701 /nfs/dbraw/zinc/07/07/01/316070701.db2.gz YQTIPFBHJFGPSK-CVEARBPZSA-N 2 1 312.498 2.671 20 0 DFADMP CCCCO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000181751912 316070933 /nfs/dbraw/zinc/07/09/33/316070933.db2.gz YWAQUGKTHICSKR-HZPDHXFCSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCO[C@H]2CCCCO2)CC1 ZINC000185193356 316182196 /nfs/dbraw/zinc/18/21/96/316182196.db2.gz MZLALYSFGVPXHO-SFHVURJKSA-N 2 1 312.498 2.974 20 0 DFADMP CCOC(=O)CCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185710022 316190996 /nfs/dbraw/zinc/19/09/96/316190996.db2.gz SMIHGHZGYSKGHJ-CVEARBPZSA-N 2 1 310.482 2.962 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CNc1cc[nH+]cc1C(N)=O)C1CC1 ZINC000186416306 316200513 /nfs/dbraw/zinc/20/05/13/316200513.db2.gz IVFCBXBXTXBXMB-GOSISDBHSA-N 2 1 324.428 2.503 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC(F)F ZINC000317289640 316248278 /nfs/dbraw/zinc/24/82/78/316248278.db2.gz SAQRRQZEKCTACD-DGCLKSJQSA-N 2 1 314.376 2.998 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC(F)F ZINC000317289640 316248281 /nfs/dbraw/zinc/24/82/81/316248281.db2.gz SAQRRQZEKCTACD-DGCLKSJQSA-N 2 1 314.376 2.998 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCc3ccccc3[C@H]2C[NH3+])c1C ZINC000321908034 316257484 /nfs/dbraw/zinc/25/74/84/316257484.db2.gz WGUOSTDPCBIMMU-GOSISDBHSA-N 2 1 311.429 2.765 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000336716896 316299532 /nfs/dbraw/zinc/29/95/32/316299532.db2.gz QATZONVTLWUPIX-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000336716896 316299540 /nfs/dbraw/zinc/29/95/40/316299540.db2.gz QATZONVTLWUPIX-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000336716896 316299545 /nfs/dbraw/zinc/29/95/45/316299545.db2.gz QATZONVTLWUPIX-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000360042613 316575126 /nfs/dbraw/zinc/57/51/26/316575126.db2.gz XRZXXUZTSMNGLE-ZDUSSCGKSA-N 2 1 311.364 2.517 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000414800101 316662750 /nfs/dbraw/zinc/66/27/50/316662750.db2.gz RTBGRFMHIOZYMY-GFCCVEGCSA-N 2 1 302.365 2.760 20 0 DFADMP CC[N@@H+](CCNC(=O)Nc1ccccc1CC[NH+](C)C)C(C)C ZINC000446570111 317016651 /nfs/dbraw/zinc/01/66/51/317016651.db2.gz WLZCQJXGAKJTKX-UHFFFAOYSA-N 2 1 320.481 2.643 20 0 DFADMP CCc1cc(N2CCC[N@H+](Cc3cnn(CC)c3)CC2)cc[nH+]1 ZINC000450322235 317083128 /nfs/dbraw/zinc/08/31/28/317083128.db2.gz XYRMJXCNASAFLD-UHFFFAOYSA-N 2 1 313.449 2.573 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000450497107 317098424 /nfs/dbraw/zinc/09/84/24/317098424.db2.gz CDCTWYTYCUUSFJ-OQIJWPOYSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000450497107 317098427 /nfs/dbraw/zinc/09/84/27/317098427.db2.gz CDCTWYTYCUUSFJ-OQIJWPOYSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000450497107 317098429 /nfs/dbraw/zinc/09/84/29/317098429.db2.gz CDCTWYTYCUUSFJ-OQIJWPOYSA-N 2 1 302.462 2.567 20 0 DFADMP COC1([C@@H](C)[NH2+]CCC[N@@H+](C)C2CCCCC2)CCOCC1 ZINC000453075591 317159198 /nfs/dbraw/zinc/15/91/98/317159198.db2.gz PCNKLRWFXSCYQQ-MRXNPFEDSA-N 2 1 312.498 2.815 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453088744 317160495 /nfs/dbraw/zinc/16/04/95/317160495.db2.gz NWIBRSRKSPJQGT-CQSZACIVSA-N 2 1 309.417 2.943 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453081187 317160625 /nfs/dbraw/zinc/16/06/25/317160625.db2.gz PKKJOVCVBUJUOF-XUVXKRRUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453081187 317160627 /nfs/dbraw/zinc/16/06/27/317160627.db2.gz PKKJOVCVBUJUOF-XUVXKRRUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453081187 317160629 /nfs/dbraw/zinc/16/06/29/317160629.db2.gz PKKJOVCVBUJUOF-XUVXKRRUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncn1 ZINC000453103446 317162907 /nfs/dbraw/zinc/16/29/07/317162907.db2.gz CHLQDLRHUUSPDZ-WMZOPIPTSA-N 2 1 310.445 2.692 20 0 DFADMP Cc1cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC000453102769 317163007 /nfs/dbraw/zinc/16/30/07/317163007.db2.gz BHIISTCQXSUOHS-HNNXBMFYSA-N 2 1 309.523 2.981 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1CC1(C)C ZINC000487556796 317347307 /nfs/dbraw/zinc/34/73/07/317347307.db2.gz IPPSDIFOWBKYGJ-WBAXXEDZSA-N 2 1 302.462 2.777 20 0 DFADMP CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000488240228 317378416 /nfs/dbraw/zinc/37/84/16/317378416.db2.gz SCFBMPVNFPJMAC-MSOLQXFVSA-N 2 1 323.525 2.878 20 0 DFADMP Fc1c(Br)ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c1F ZINC000530221998 317776658 /nfs/dbraw/zinc/77/66/58/317776658.db2.gz QHXNCZKPJWXIJS-JTQLQIEISA-N 2 1 319.193 2.959 20 0 DFADMP Fc1cccc(F)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530239289 317777912 /nfs/dbraw/zinc/77/79/12/317777912.db2.gz DRZYVMRTSCMWLC-AWEZNQCLSA-N 2 1 310.388 2.555 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCCC[C@H]2O)CC1 ZINC000572044321 317999061 /nfs/dbraw/zinc/99/90/61/317999061.db2.gz DJHDURSKWWWYBX-NVXWUHKLSA-N 2 1 304.434 2.784 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[NH+]2CCC(C)(C)C2)C1 ZINC000572066947 318000393 /nfs/dbraw/zinc/00/03/93/318000393.db2.gz JJWRWQQOEVOYQB-CALCHBBNSA-N 2 1 323.525 2.593 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)C1C[NH2+]C1 ZINC000574748891 318037666 /nfs/dbraw/zinc/03/76/66/318037666.db2.gz PWVSMDRKWYIDAA-SUMWQHHRSA-N 2 1 307.869 2.674 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000575741946 318079924 /nfs/dbraw/zinc/07/99/24/318079924.db2.gz YPKSFFXZFSBDBO-AWEZNQCLSA-N 2 1 319.424 2.537 20 0 DFADMP Cc1cc(C)cc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1 ZINC000575796764 318083595 /nfs/dbraw/zinc/08/35/95/318083595.db2.gz OCXSQCXFZWUKEQ-CQSZACIVSA-N 2 1 313.449 2.739 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000575999374 318097639 /nfs/dbraw/zinc/09/76/39/318097639.db2.gz GBTZOJHCQNOOED-SFHVURJKSA-N 2 1 313.445 2.891 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](COCc2ccccc2)C1 ZINC000575999374 318097640 /nfs/dbraw/zinc/09/76/40/318097640.db2.gz GBTZOJHCQNOOED-SFHVURJKSA-N 2 1 313.445 2.891 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000576027009 318099131 /nfs/dbraw/zinc/09/91/31/318099131.db2.gz IJHHDAOMEUTKRA-LNSITVRQSA-N 2 1 316.367 2.717 20 0 DFADMP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]C[C@@H]([NH3+])C1CC1 ZINC000576219291 318111672 /nfs/dbraw/zinc/11/16/72/318111672.db2.gz NDGMTLCHEVMRBO-QMTHXVAHSA-N 2 1 302.447 2.901 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000576410922 318124593 /nfs/dbraw/zinc/12/45/93/318124593.db2.gz OXGKCHLNTMCENN-DJIMGWMZSA-N 2 1 308.491 2.853 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000576410922 318124595 /nfs/dbraw/zinc/12/45/95/318124595.db2.gz OXGKCHLNTMCENN-DJIMGWMZSA-N 2 1 308.491 2.853 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC000576698239 318143787 /nfs/dbraw/zinc/14/37/87/318143787.db2.gz ZPUVHIJJUAGLBU-CYBMUJFWSA-N 2 1 321.852 2.909 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)C2CCCC2)c1)C1C[NH2+]C1 ZINC000576814693 318151895 /nfs/dbraw/zinc/15/18/95/318151895.db2.gz NVACAVASSDAYQO-CYBMUJFWSA-N 2 1 301.434 2.513 20 0 DFADMP Cn1ccnc1[C@H]1CC[N@@H+](CCN2CCCc3ccccc32)C1 ZINC000576834630 318153624 /nfs/dbraw/zinc/15/36/24/318153624.db2.gz NAKWMUNTIQWNDD-KRWDZBQOSA-N 2 1 310.445 2.662 20 0 DFADMP CC(C)(C)N1CC[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)C1=O ZINC000576935028 318160360 /nfs/dbraw/zinc/16/03/60/318160360.db2.gz HHTJQDUBYQDSQV-KRWDZBQOSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000577239754 318180654 /nfs/dbraw/zinc/18/06/54/318180654.db2.gz ZFHIUADLIMJENQ-ZWKOTPCHSA-N 2 1 323.525 2.831 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@H]1c1nc2ccccc2s1 ZINC000577343316 318185820 /nfs/dbraw/zinc/18/58/20/318185820.db2.gz LVXVYEAQEMDQTK-UKRRQHHQSA-N 2 1 319.474 2.746 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1=CC[N@@H+](C)CC1 ZINC000577948577 318227530 /nfs/dbraw/zinc/22/75/30/318227530.db2.gz NZPFGQKFTWLOIM-KKSFZXQISA-N 2 1 324.468 2.983 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)Cc1ccc2ccccc2c1)C1=CC[N@@H+](C)CC1 ZINC000577948575 318227570 /nfs/dbraw/zinc/22/75/70/318227570.db2.gz NZPFGQKFTWLOIM-IERDGZPVSA-N 2 1 324.468 2.983 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578193410 318244173 /nfs/dbraw/zinc/24/41/73/318244173.db2.gz WGKIDJVVOPGDAT-QYZOEREBSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000578193410 318244175 /nfs/dbraw/zinc/24/41/75/318244175.db2.gz WGKIDJVVOPGDAT-QYZOEREBSA-N 2 1 314.473 2.934 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284997 318249517 /nfs/dbraw/zinc/24/95/17/318249517.db2.gz QRSKNXREHWONKA-CTNGQTDRSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284997 318249519 /nfs/dbraw/zinc/24/95/19/318249519.db2.gz QRSKNXREHWONKA-CTNGQTDRSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284997 318249522 /nfs/dbraw/zinc/24/95/22/318249522.db2.gz QRSKNXREHWONKA-CTNGQTDRSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284997 318249523 /nfs/dbraw/zinc/24/95/23/318249523.db2.gz QRSKNXREHWONKA-CTNGQTDRSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284997 318249526 /nfs/dbraw/zinc/24/95/26/318249526.db2.gz QRSKNXREHWONKA-CTNGQTDRSA-N 2 1 324.468 2.947 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284997 318249528 /nfs/dbraw/zinc/24/95/28/318249528.db2.gz QRSKNXREHWONKA-CTNGQTDRSA-N 2 1 324.468 2.947 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284997 318249530 /nfs/dbraw/zinc/24/95/30/318249530.db2.gz QRSKNXREHWONKA-CTNGQTDRSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284998 318249574 /nfs/dbraw/zinc/24/95/74/318249574.db2.gz QRSKNXREHWONKA-FPOVZHCZSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284998 318249576 /nfs/dbraw/zinc/24/95/76/318249576.db2.gz QRSKNXREHWONKA-FPOVZHCZSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284998 318249579 /nfs/dbraw/zinc/24/95/79/318249579.db2.gz QRSKNXREHWONKA-FPOVZHCZSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284998 318249580 /nfs/dbraw/zinc/24/95/80/318249580.db2.gz QRSKNXREHWONKA-FPOVZHCZSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284998 318249583 /nfs/dbraw/zinc/24/95/83/318249583.db2.gz QRSKNXREHWONKA-FPOVZHCZSA-N 2 1 324.468 2.947 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284998 318249586 /nfs/dbraw/zinc/24/95/86/318249586.db2.gz QRSKNXREHWONKA-FPOVZHCZSA-N 2 1 324.468 2.947 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1Cc2ccccc2[C@H](c2ccccc2)C1 ZINC000578284998 318249588 /nfs/dbraw/zinc/24/95/88/318249588.db2.gz QRSKNXREHWONKA-FPOVZHCZSA-N 2 1 324.468 2.947 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@@H]3O)C2)[nH+]1 ZINC000578421317 318259329 /nfs/dbraw/zinc/25/93/29/318259329.db2.gz KWYQRJWUVPIEKO-ULQDDVLXSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@@H]3O)C2)[nH+]1 ZINC000578421317 318259330 /nfs/dbraw/zinc/25/93/30/318259330.db2.gz KWYQRJWUVPIEKO-ULQDDVLXSA-N 2 1 303.450 2.675 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503124 318265182 /nfs/dbraw/zinc/26/51/82/318265182.db2.gz IMVGCZJIXGFYJH-RTBURBONSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503124 318265184 /nfs/dbraw/zinc/26/51/84/318265184.db2.gz IMVGCZJIXGFYJH-RTBURBONSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503124 318265186 /nfs/dbraw/zinc/26/51/86/318265186.db2.gz IMVGCZJIXGFYJH-RTBURBONSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503124 318265189 /nfs/dbraw/zinc/26/51/89/318265189.db2.gz IMVGCZJIXGFYJH-RTBURBONSA-N 2 1 320.452 2.678 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000578738457 318281658 /nfs/dbraw/zinc/28/16/58/318281658.db2.gz YJSFWIBJRGWDFG-SDDRHHMPSA-N 2 1 312.255 2.883 20 0 DFADMP Cc1noc(C2CCC([NH2+]CC[C@@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000578858255 318290250 /nfs/dbraw/zinc/29/02/50/318290250.db2.gz OMMSACAOAHQVFJ-FHERZECASA-N 2 1 306.454 2.726 20 0 DFADMP Cc1noc(C2CCC([NH2+]CC[C@H]3CCC[N@H+](C)C3)CC2)n1 ZINC000578858256 318290364 /nfs/dbraw/zinc/29/03/64/318290364.db2.gz OMMSACAOAHQVFJ-QQFBHYJXSA-N 2 1 306.454 2.726 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000579369940 318326483 /nfs/dbraw/zinc/32/64/83/318326483.db2.gz SCUOSUHMQFKRAK-YPMHNXCESA-N 2 1 302.340 2.939 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCC23CC3)C1 ZINC000579733022 318351659 /nfs/dbraw/zinc/35/16/59/318351659.db2.gz HELZCHWWDZAYBD-ROUUACIJSA-N 2 1 300.446 2.676 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579822500 318356329 /nfs/dbraw/zinc/35/63/29/318356329.db2.gz WOHPTWIYGBCDEL-IHPCNDPISA-N 2 1 315.505 2.529 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579822500 318356331 /nfs/dbraw/zinc/35/63/31/318356331.db2.gz WOHPTWIYGBCDEL-IHPCNDPISA-N 3 1 315.505 2.529 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579822500 318356332 /nfs/dbraw/zinc/35/63/32/318356332.db2.gz WOHPTWIYGBCDEL-IHPCNDPISA-N 3 1 315.505 2.529 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000579830234 318357053 /nfs/dbraw/zinc/35/70/53/318357053.db2.gz RYLAWDRRYYLVSP-KRWDZBQOSA-N 2 1 314.433 2.520 20 0 DFADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000580074030 318373575 /nfs/dbraw/zinc/37/35/75/318373575.db2.gz AKFOFURFTIGAJJ-BRWVUGGUSA-N 2 1 309.498 2.522 20 0 DFADMP CCc1ccccc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000188990555 323221496 /nfs/dbraw/zinc/22/14/96/323221496.db2.gz BNIKNNUWCVZNJA-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379631639 323289387 /nfs/dbraw/zinc/28/93/87/323289387.db2.gz RQDASHMIJYBOOV-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379631639 323289391 /nfs/dbraw/zinc/28/93/91/323289391.db2.gz RQDASHMIJYBOOV-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379631639 323289396 /nfs/dbraw/zinc/28/93/96/323289396.db2.gz RQDASHMIJYBOOV-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379630140 323289811 /nfs/dbraw/zinc/28/98/11/323289811.db2.gz KUIMBJKFCQDXDD-OWYHZJEWSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000379630140 323289814 /nfs/dbraw/zinc/28/98/14/323289814.db2.gz KUIMBJKFCQDXDD-OWYHZJEWSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379645726 323290301 /nfs/dbraw/zinc/29/03/01/323290301.db2.gz DMEIMIRLNQZELW-JFRXWTBNSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000379645726 323290305 /nfs/dbraw/zinc/29/03/05/323290305.db2.gz DMEIMIRLNQZELW-JFRXWTBNSA-N 2 1 301.478 2.627 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379654568 323290848 /nfs/dbraw/zinc/29/08/48/323290848.db2.gz IYTMZVDZFYREFH-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379654568 323290850 /nfs/dbraw/zinc/29/08/50/323290850.db2.gz IYTMZVDZFYREFH-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379654568 323290852 /nfs/dbraw/zinc/29/08/52/323290852.db2.gz IYTMZVDZFYREFH-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753637 323295452 /nfs/dbraw/zinc/29/54/52/323295452.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381753637 323295455 /nfs/dbraw/zinc/29/54/55/323295455.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NC[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381753637 323295458 /nfs/dbraw/zinc/29/54/58/323295458.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753637 323295461 /nfs/dbraw/zinc/29/54/61/323295461.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753637 323295463 /nfs/dbraw/zinc/29/54/63/323295463.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381753637 323295466 /nfs/dbraw/zinc/29/54/66/323295466.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381753637 323295469 /nfs/dbraw/zinc/29/54/69/323295469.db2.gz CMKBTOMMRCJRCF-IHPCNDPISA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H](NCCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382605859 323301403 /nfs/dbraw/zinc/30/14/03/323301403.db2.gz WUETYESUQZQOEB-WMZOPIPTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382605859 323301406 /nfs/dbraw/zinc/30/14/06/323301406.db2.gz WUETYESUQZQOEB-WMZOPIPTSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382605859 323301411 /nfs/dbraw/zinc/30/14/11/323301411.db2.gz WUETYESUQZQOEB-WMZOPIPTSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000382767251 323302524 /nfs/dbraw/zinc/30/25/24/323302524.db2.gz WUAKCCQSVFFONR-QZTJIDSGSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H](C[NH2+][C@H](C)c1cncc(Br)c1)C[NH+](C)C ZINC000580785863 323435767 /nfs/dbraw/zinc/43/57/67/323435767.db2.gz QOTTYDKIEDNXAL-GHMZBOCLSA-N 2 1 300.244 2.692 20 0 DFADMP O=C(C[C@H]1CCC[NH2+]1)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000583563103 323878309 /nfs/dbraw/zinc/87/83/09/323878309.db2.gz CTFZJGDPATYYHW-CYBMUJFWSA-N 2 1 322.478 2.600 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)C2 ZINC000294716697 533867821 /nfs/dbraw/zinc/86/78/21/533867821.db2.gz CGNGQFDRFUWVMM-XYTVBORESA-N 2 1 300.446 2.767 20 0 DFADMP NC(=O)c1c[nH+]ccc1NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000302213562 534509503 /nfs/dbraw/zinc/50/95/03/534509503.db2.gz HSZPDRXPBRUQSP-INIZCTEOSA-N 2 1 324.428 2.647 20 0 DFADMP NC(=O)c1c[nH+]ccc1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000302213562 534509515 /nfs/dbraw/zinc/50/95/15/534509515.db2.gz HSZPDRXPBRUQSP-INIZCTEOSA-N 2 1 324.428 2.647 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000154547182 521209258 /nfs/dbraw/zinc/20/92/58/521209258.db2.gz SYAWWQIGIKCNJA-ZBFHGGJFSA-N 2 1 323.506 2.594 20 0 DFADMP CCC[N@@H+](CC)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000156819333 521609942 /nfs/dbraw/zinc/60/99/42/521609942.db2.gz FXZZJWYPZKKAJI-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP CCC[NH+](CC)CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000156819333 521609944 /nfs/dbraw/zinc/60/99/44/521609944.db2.gz FXZZJWYPZKKAJI-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP CCC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000156819333 521609948 /nfs/dbraw/zinc/60/99/48/521609948.db2.gz FXZZJWYPZKKAJI-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](CCc1ccccc1)c1ccccc1 ZINC000154333576 521861978 /nfs/dbraw/zinc/86/19/78/521861978.db2.gz XTEHSPRGLUKNEJ-WOJBJXKFSA-N 2 1 312.457 2.873 20 0 DFADMP C[N@@H+](Cc1nccn1Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000154837947 523598091 /nfs/dbraw/zinc/59/80/91/523598091.db2.gz JJTFHIYYNGTUKY-UHFFFAOYSA-N 2 1 312.461 2.705 20 0 DFADMP C[N@H+](Cc1nccn1Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC000154837947 523598105 /nfs/dbraw/zinc/59/81/05/523598105.db2.gz JJTFHIYYNGTUKY-UHFFFAOYSA-N 2 1 312.461 2.705 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131328898 524913297 /nfs/dbraw/zinc/91/32/97/524913297.db2.gz NJOHOVHIOQCVHL-CPUCHLNUSA-N 2 1 303.450 2.689 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131328898 524913305 /nfs/dbraw/zinc/91/33/05/524913305.db2.gz NJOHOVHIOQCVHL-CPUCHLNUSA-N 2 1 303.450 2.689 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C1 ZINC000364120514 525324711 /nfs/dbraw/zinc/32/47/11/525324711.db2.gz LMZQRUDTTHDXIX-YRPNKDGESA-N 2 1 314.473 2.950 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C1 ZINC000364120514 525324715 /nfs/dbraw/zinc/32/47/15/525324715.db2.gz LMZQRUDTTHDXIX-YRPNKDGESA-N 2 1 314.473 2.950 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000366293725 525416855 /nfs/dbraw/zinc/41/68/55/525416855.db2.gz JCBOBIUYEAFWPC-WOSRLPQWSA-N 2 1 304.463 2.825 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1cccs1)c1cnn(C)c1 ZINC000366293725 525416859 /nfs/dbraw/zinc/41/68/59/525416859.db2.gz JCBOBIUYEAFWPC-WOSRLPQWSA-N 2 1 304.463 2.825 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000362905559 534915160 /nfs/dbraw/zinc/91/51/60/534915160.db2.gz IISUARXEOGYDGE-HNNXBMFYSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000362905559 534915167 /nfs/dbraw/zinc/91/51/67/534915167.db2.gz IISUARXEOGYDGE-HNNXBMFYSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)C(C)C ZINC000361942155 534917451 /nfs/dbraw/zinc/91/74/51/534917451.db2.gz VHOWPOMXVXTLPP-HOTGVXAUSA-N 2 1 320.481 2.726 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)C(C)C ZINC000361942155 534917456 /nfs/dbraw/zinc/91/74/56/534917456.db2.gz VHOWPOMXVXTLPP-HOTGVXAUSA-N 2 1 320.481 2.726 20 0 DFADMP C[N@@H+]1CCO[C@H](CN(CC2CC2)c2cc[nH+]c3ccccc32)C1 ZINC000362678236 536443896 /nfs/dbraw/zinc/44/38/96/536443896.db2.gz AERUYESVUBKVGV-INIZCTEOSA-N 2 1 311.429 2.782 20 0 DFADMP C[N@H+]1CCO[C@H](CN(CC2CC2)c2cc[nH+]c3ccccc32)C1 ZINC000362678236 536443898 /nfs/dbraw/zinc/44/38/98/536443898.db2.gz AERUYESVUBKVGV-INIZCTEOSA-N 2 1 311.429 2.782 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000358254793 536482157 /nfs/dbraw/zinc/48/21/57/536482157.db2.gz QEQNSWZMWLHVOY-ZACQAIPSSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000358254793 536482159 /nfs/dbraw/zinc/48/21/59/536482159.db2.gz QEQNSWZMWLHVOY-ZACQAIPSSA-N 2 1 308.853 2.632 20 0 DFADMP Clc1nccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1Cl ZINC000365683136 527010376 /nfs/dbraw/zinc/01/03/76/527010376.db2.gz WRVGDIRCZIJDBK-JTQLQIEISA-N 2 1 311.216 2.937 20 0 DFADMP CC(C)(CO)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000294802337 527204048 /nfs/dbraw/zinc/20/40/48/527204048.db2.gz MZMUMQVYZBCQBQ-GUDVDZBRSA-N 2 1 316.489 2.895 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841136 527831797 /nfs/dbraw/zinc/83/17/97/527831797.db2.gz BDQZWWKPNUEVSB-NEWSRXKRSA-N 2 1 304.478 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841136 527831802 /nfs/dbraw/zinc/83/18/02/527831802.db2.gz BDQZWWKPNUEVSB-NEWSRXKRSA-N 2 1 304.478 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](Cc2ccccc2)OC)[C@H](C)C1 ZINC000294841136 527831804 /nfs/dbraw/zinc/83/18/04/527831804.db2.gz BDQZWWKPNUEVSB-NEWSRXKRSA-N 2 1 304.478 2.906 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297482582 527989789 /nfs/dbraw/zinc/98/97/89/527989789.db2.gz SIUSGGVYGPHJMC-MRXNPFEDSA-N 3 1 304.482 2.760 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297482582 527989795 /nfs/dbraw/zinc/98/97/95/527989795.db2.gz SIUSGGVYGPHJMC-MRXNPFEDSA-N 3 1 304.482 2.760 20 0 DFADMP CC(C)CNC(=[NH2+])NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309764493 528030051 /nfs/dbraw/zinc/03/00/51/528030051.db2.gz YZFYKPXPLLDCMD-KRWDZBQOSA-N 2 1 302.466 2.669 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)C[C@H]3C)c2C1 ZINC000362905889 535145431 /nfs/dbraw/zinc/14/54/31/535145431.db2.gz UJZBBCKRPRSHMZ-ZBFHGGJFSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)c2C1 ZINC000362905889 535145432 /nfs/dbraw/zinc/14/54/32/535145432.db2.gz UJZBBCKRPRSHMZ-ZBFHGGJFSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)c2C1 ZINC000362905889 535145434 /nfs/dbraw/zinc/14/54/34/535145434.db2.gz UJZBBCKRPRSHMZ-ZBFHGGJFSA-N 2 1 315.461 2.794 20 0 DFADMP CC1(C)C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C(C)(C)O1 ZINC000361175784 535367749 /nfs/dbraw/zinc/36/77/49/535367749.db2.gz SKRABHADQDEFDP-HNNXBMFYSA-N 2 1 310.482 2.567 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2c(C)cc(C)cc2C)CC1 ZINC000261784188 535458086 /nfs/dbraw/zinc/45/80/86/535458086.db2.gz SDOUFDQHQJHFNG-UHFFFAOYSA-N 2 1 317.477 2.872 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(C)ccc2C)CC1 ZINC000262303798 535458379 /nfs/dbraw/zinc/45/83/79/535458379.db2.gz OVLCWVJZMLRQLP-UHFFFAOYSA-N 2 1 303.450 2.563 20 0 DFADMP CCOCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000262052714 535489004 /nfs/dbraw/zinc/48/90/04/535489004.db2.gz ZVKRCWYVMDDORA-KSZLIROESA-N 2 1 324.509 2.720 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)CC ZINC000362630197 535593543 /nfs/dbraw/zinc/59/35/43/535593543.db2.gz GNZIKGYFLLCKBN-INIZCTEOSA-N 2 1 311.514 2.687 20 0 DFADMP CCOC(=O)c1coc(C[NH2+]CCCCn2cc[nH+]c2C)c1 ZINC000354490272 535717236 /nfs/dbraw/zinc/71/72/36/535717236.db2.gz CGZYPBZQMQKNDA-UHFFFAOYSA-N 2 1 305.378 2.531 20 0 DFADMP C[NH2+][C@H]1CCCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000261927919 536412234 /nfs/dbraw/zinc/41/22/34/536412234.db2.gz CJSBADQTYFBRCH-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000245691219 536709798 /nfs/dbraw/zinc/70/97/98/536709798.db2.gz ATOXQKVUDXBLKQ-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000245691219 536709801 /nfs/dbraw/zinc/70/98/01/536709801.db2.gz ATOXQKVUDXBLKQ-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1cccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1 ZINC000245691219 536709803 /nfs/dbraw/zinc/70/98/03/536709803.db2.gz ATOXQKVUDXBLKQ-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000245766667 536773131 /nfs/dbraw/zinc/77/31/31/536773131.db2.gz WMSAMICNKDIDNA-RDJZCZTQSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)ccc1O ZINC000245766667 536773139 /nfs/dbraw/zinc/77/31/39/536773139.db2.gz WMSAMICNKDIDNA-RDJZCZTQSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)ccc1O ZINC000245766667 536773145 /nfs/dbraw/zinc/77/31/45/536773145.db2.gz WMSAMICNKDIDNA-RDJZCZTQSA-N 2 1 316.445 2.850 20 0 DFADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)ccc1O ZINC000245766667 536773149 /nfs/dbraw/zinc/77/31/49/536773149.db2.gz WMSAMICNKDIDNA-RDJZCZTQSA-N 2 1 316.445 2.850 20 0 DFADMP COCC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000361396714 536822089 /nfs/dbraw/zinc/82/20/89/536822089.db2.gz UZUVEOKSPIJEPH-KDURUIRLSA-N 2 1 314.473 2.867 20 0 DFADMP COCC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000361396714 536822093 /nfs/dbraw/zinc/82/20/93/536822093.db2.gz UZUVEOKSPIJEPH-KDURUIRLSA-N 2 1 314.473 2.867 20 0 DFADMP COCC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCC1 ZINC000361396714 536822100 /nfs/dbraw/zinc/82/21/00/536822100.db2.gz UZUVEOKSPIJEPH-KDURUIRLSA-N 2 1 314.473 2.867 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358249669 536898251 /nfs/dbraw/zinc/89/82/51/536898251.db2.gz KTXZSEIKOKBUSR-IFXJQAMLSA-N 2 1 314.429 2.566 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358249669 536898253 /nfs/dbraw/zinc/89/82/53/536898253.db2.gz KTXZSEIKOKBUSR-IFXJQAMLSA-N 2 1 314.429 2.566 20 0 DFADMP C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914565 545750405 /nfs/dbraw/zinc/75/04/05/545750405.db2.gz INQQENZBNXZHQE-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1ncccc1C(F)(F)F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681914565 545750410 /nfs/dbraw/zinc/75/04/10/545750410.db2.gz INQQENZBNXZHQE-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)c(C)nc2s1 ZINC000681915390 545752590 /nfs/dbraw/zinc/75/25/90/545752590.db2.gz HBXPXPCBKZTXSH-ZDUSSCGKSA-N 2 1 315.446 2.561 20 0 DFADMP CO[C@]1(C(F)(F)F)CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000682036922 545780241 /nfs/dbraw/zinc/78/02/41/545780241.db2.gz HLWVPRHBWQGXBA-ZIAGYGMSSA-N 2 1 308.388 2.904 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000682140853 545803813 /nfs/dbraw/zinc/80/38/13/545803813.db2.gz XELPSLXYCXOQMR-MOPGFXCFSA-N 2 1 302.462 2.543 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)n1 ZINC000683346139 546016257 /nfs/dbraw/zinc/01/62/57/546016257.db2.gz SEFJJUJALQUQML-CVEARBPZSA-N 2 1 305.466 2.850 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCO)CC2)c2ccccc21 ZINC000683693311 546077332 /nfs/dbraw/zinc/07/73/32/546077332.db2.gz VKRYRYAIKWAHBS-OALUTQOASA-N 2 1 302.462 2.917 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3cnccc3c2)CCCO1 ZINC000683775545 546093778 /nfs/dbraw/zinc/09/37/78/546093778.db2.gz BJTVXPINBBXMOI-INIZCTEOSA-N 2 1 313.445 2.825 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]C2CC(C)(C)C2)c2cccs2)CC1 ZINC000683939829 546124449 /nfs/dbraw/zinc/12/44/49/546124449.db2.gz RYIFCTFBOQJXJB-OAHLLOKOSA-N 2 1 307.507 2.815 20 0 DFADMP CCc1nn(C)cc1C[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000685447774 546351670 /nfs/dbraw/zinc/35/16/70/546351670.db2.gz RYUSDDNEBMBNOY-UHFFFAOYSA-N 2 1 304.438 2.529 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3nc4c(s3)CCC4)C2)CC1 ZINC000685463164 546354669 /nfs/dbraw/zinc/35/46/69/546354669.db2.gz UIVXFWNLDBGQJG-CQSZACIVSA-N 2 1 305.491 2.796 20 0 DFADMP C[N@@H+](Cc1cnc(C2CC2)s1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685465582 546355823 /nfs/dbraw/zinc/35/58/23/546355823.db2.gz UVMOVFXDZBRUCM-LBPRGKRZSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@H+](Cc1cnc(C2CC2)s1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685465582 546355831 /nfs/dbraw/zinc/35/58/31/546355831.db2.gz UVMOVFXDZBRUCM-LBPRGKRZSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@@H+](Cc1scnc1C1CC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685466424 546357321 /nfs/dbraw/zinc/35/73/21/546357321.db2.gz XCOILERQNVKREH-LBPRGKRZSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@H+](Cc1scnc1C1CC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685466424 546357326 /nfs/dbraw/zinc/35/73/26/546357326.db2.gz XCOILERQNVKREH-LBPRGKRZSA-N 2 1 302.447 2.911 20 0 DFADMP CN(CCC[N@H+](C)Cc1cscc1Cl)CC[NH+](C)C ZINC000685476299 546358767 /nfs/dbraw/zinc/35/87/67/546358767.db2.gz SAPCQIJSLJBNSG-UHFFFAOYSA-N 2 1 303.903 2.717 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cscc1Cl)CC[NH+](C)C ZINC000685476299 546358769 /nfs/dbraw/zinc/35/87/69/546358769.db2.gz SAPCQIJSLJBNSG-UHFFFAOYSA-N 2 1 303.903 2.717 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)o1 ZINC000685564021 546367850 /nfs/dbraw/zinc/36/78/50/546367850.db2.gz SHRZCHCONYDSAD-OAHLLOKOSA-N 2 1 300.406 2.929 20 0 DFADMP C1COC[C@H]([NH+]2CCCC3(CCC[N@H+]([C@@H]4CCCOC4)C3)C2)C1 ZINC000685593191 546373188 /nfs/dbraw/zinc/37/31/88/546373188.db2.gz LFGNJWCOVDPQHT-PWCSWUJKSA-N 2 1 322.493 2.522 20 0 DFADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278526634 214212764 /nfs/dbraw/zinc/21/27/64/214212764.db2.gz NEJSMZKBLKXMGE-YJBOKZPZSA-N 2 1 318.461 2.773 20 0 DFADMP OC1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000305861047 231075823 /nfs/dbraw/zinc/07/58/23/231075823.db2.gz LUHLBRUZSLPQSK-WYRHQLMOSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@H]1C[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000309746991 231103929 /nfs/dbraw/zinc/10/39/29/231103929.db2.gz UTIRFYZKEUABCP-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000309746991 231103932 /nfs/dbraw/zinc/10/39/32/231103932.db2.gz UTIRFYZKEUABCP-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000309746991 231103935 /nfs/dbraw/zinc/10/39/35/231103935.db2.gz UTIRFYZKEUABCP-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000314465072 231131980 /nfs/dbraw/zinc/13/19/80/231131980.db2.gz MYZLYAQNTUMUTC-ZDUSSCGKSA-N 2 1 300.397 2.502 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cnn(CC(F)F)c1 ZINC000314465072 231131982 /nfs/dbraw/zinc/13/19/82/231131982.db2.gz MYZLYAQNTUMUTC-ZDUSSCGKSA-N 2 1 300.397 2.502 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595207 231211171 /nfs/dbraw/zinc/21/11/71/231211171.db2.gz KUYHADQAUALEBW-SLFFLAALSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[NH+]2CC[C@H](N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595207 231211173 /nfs/dbraw/zinc/21/11/73/231211173.db2.gz KUYHADQAUALEBW-SLFFLAALSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[NH+]2CC[C@H](N[C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595207 231211177 /nfs/dbraw/zinc/21/11/77/231211177.db2.gz KUYHADQAUALEBW-SLFFLAALSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000322595203 231212646 /nfs/dbraw/zinc/21/26/46/231212646.db2.gz KUYHADQAUALEBW-AABGKKOBSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[NH+]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000322595203 231212648 /nfs/dbraw/zinc/21/26/48/231212648.db2.gz KUYHADQAUALEBW-AABGKKOBSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[NH+]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000322595203 231212651 /nfs/dbraw/zinc/21/26/51/231212651.db2.gz KUYHADQAUALEBW-AABGKKOBSA-N 2 1 313.489 2.520 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905791 398348143 /nfs/dbraw/zinc/34/81/43/398348143.db2.gz KKJIHAPIHMBZLZ-IRXDYDNUSA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905791 398348147 /nfs/dbraw/zinc/34/81/47/398348147.db2.gz KKJIHAPIHMBZLZ-IRXDYDNUSA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905791 398348151 /nfs/dbraw/zinc/34/81/51/398348151.db2.gz KKJIHAPIHMBZLZ-IRXDYDNUSA-N 2 1 318.465 2.620 20 0 DFADMP CC(C)CCOc1ccc(C[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000591909145 398350781 /nfs/dbraw/zinc/35/07/81/398350781.db2.gz SNAYQZRADSZYEU-UHFFFAOYSA-N 2 1 320.477 2.658 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000591909293 398350824 /nfs/dbraw/zinc/35/08/24/398350824.db2.gz ZTNPPPDXVGEERU-UHFFFAOYSA-N 2 1 318.461 2.554 20 0 DFADMP CCc1cc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000302120228 529554969 /nfs/dbraw/zinc/55/49/69/529554969.db2.gz XRSHFOCRSQMAOY-KBPBESRZSA-N 2 1 306.454 2.649 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237544210 398371800 /nfs/dbraw/zinc/37/18/00/398371800.db2.gz ZCLPXGYOKQBCDC-JFIYKMOQSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)C1CC[NH2+]CC1 ZINC000237620101 398373065 /nfs/dbraw/zinc/37/30/65/398373065.db2.gz XBEAMXFVVPJMNR-MRXNPFEDSA-N 2 1 323.525 2.783 20 0 DFADMP c1cn(Cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)cn1 ZINC000459362825 299088966 /nfs/dbraw/zinc/08/89/66/299088966.db2.gz HNJSDMUVBJIDMB-UHFFFAOYSA-N 2 1 310.445 2.648 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459371045 299089593 /nfs/dbraw/zinc/08/95/93/299089593.db2.gz HYERTQRQUVJQNO-IRXDYDNUSA-N 3 1 307.526 2.961 20 0 DFADMP COCc1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000459382536 299092293 /nfs/dbraw/zinc/09/22/93/299092293.db2.gz WHNHUPQAQITWKJ-GASCZTMLSA-N 2 1 309.454 2.669 20 0 DFADMP COCc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)no1 ZINC000459382536 299092296 /nfs/dbraw/zinc/09/22/96/299092296.db2.gz WHNHUPQAQITWKJ-GASCZTMLSA-N 2 1 309.454 2.669 20 0 DFADMP CC(C)(C)OC(=O)C1CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000092560988 185326118 /nfs/dbraw/zinc/32/61/18/185326118.db2.gz DKAGQXZHPIPCLL-QQFBHYJXSA-N 2 1 322.493 2.961 20 0 DFADMP C[C@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000459389828 299094234 /nfs/dbraw/zinc/09/42/34/299094234.db2.gz MSFIOBSSSITMSQ-QGZVFWFLSA-N 2 1 315.505 2.806 20 0 DFADMP C[C@@H]([NH2+]CCn1cc(Cl)cn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405870 299098554 /nfs/dbraw/zinc/09/85/54/299098554.db2.gz OCPSZYVRVWPDMY-KGLIPLIRSA-N 2 1 310.873 2.779 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000181470335 199301601 /nfs/dbraw/zinc/30/16/01/199301601.db2.gz SBHKUKJOQGFYPG-RDJZCZTQSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000181470335 199301602 /nfs/dbraw/zinc/30/16/02/199301602.db2.gz SBHKUKJOQGFYPG-RDJZCZTQSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)OCc2ccccc2)CC[NH+]1C ZINC000181470335 199301604 /nfs/dbraw/zinc/30/16/04/199301604.db2.gz SBHKUKJOQGFYPG-RDJZCZTQSA-N 2 1 304.434 2.534 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)OCc2ccccc2)CC[NH+]1C ZINC000181470335 199301605 /nfs/dbraw/zinc/30/16/05/199301605.db2.gz SBHKUKJOQGFYPG-RDJZCZTQSA-N 2 1 304.434 2.534 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)NCC2CCCCC2)CC1 ZINC000066873278 398404840 /nfs/dbraw/zinc/40/48/40/398404840.db2.gz QHHDKLLGNKFGQE-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000292986464 529800127 /nfs/dbraw/zinc/80/01/27/529800127.db2.gz NPOMFXGERFALTQ-UHFFFAOYSA-N 2 1 324.350 2.894 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000272782543 210187151 /nfs/dbraw/zinc/18/71/51/210187151.db2.gz WDRJGSSZQQBYOM-RTBURBONSA-N 2 1 302.462 2.922 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3)C2)CC1 ZINC000255012165 398423576 /nfs/dbraw/zinc/42/35/76/398423576.db2.gz VQTYDYHIPHQIDY-LLHWWHOWSA-N 2 1 317.452 2.551 20 0 DFADMP C[N@@H+](CCCc1nc(-c2cccs2)no1)[C@@H]1CCC[NH2+]CC1 ZINC000318519233 529897509 /nfs/dbraw/zinc/89/75/09/529897509.db2.gz RDWUZEONVPTOLH-CYBMUJFWSA-N 2 1 320.462 2.805 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)o1 ZINC000592433627 398425463 /nfs/dbraw/zinc/42/54/63/398425463.db2.gz MOCJTZCNCLQNFW-HUUCEWRRSA-N 2 1 320.433 2.668 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433642 398425681 /nfs/dbraw/zinc/42/56/81/398425681.db2.gz MXIPKGDRKKNXKN-QZTJIDSGSA-N 2 1 316.445 2.685 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H](C)C1 ZINC000592404425 398422498 /nfs/dbraw/zinc/42/24/98/398422498.db2.gz SNMPQKDRAMCAGY-JONQDZQNSA-N 2 1 310.482 2.817 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)CC[C@H]1[NH3+] ZINC000592489440 398432723 /nfs/dbraw/zinc/43/27/23/398432723.db2.gz VUGWWOJKGQKCIW-UKRRQHHQSA-N 2 1 316.401 2.779 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)O[C@@H](C)C2 ZINC000067507197 398438148 /nfs/dbraw/zinc/43/81/48/398438148.db2.gz LZDJQKJLGFUJPT-LSDHHAIUSA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)O[C@@H](C)C2 ZINC000067507197 398438152 /nfs/dbraw/zinc/43/81/52/398438152.db2.gz LZDJQKJLGFUJPT-LSDHHAIUSA-N 2 1 318.461 2.839 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852388 529931740 /nfs/dbraw/zinc/93/17/40/529931740.db2.gz QSGUXISTZOETBJ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852388 529931741 /nfs/dbraw/zinc/93/17/41/529931741.db2.gz QSGUXISTZOETBJ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@@H](O)Cc1ccc(F)cc1 ZINC000292852388 529931742 /nfs/dbraw/zinc/93/17/42/529931742.db2.gz QSGUXISTZOETBJ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491666 398433654 /nfs/dbraw/zinc/43/36/54/398433654.db2.gz FWBTZAAVPAJDQA-DLBZAZTESA-N 2 1 310.482 2.822 20 0 DFADMP COC(=O)[C@@H](CC(C)(C)C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000592525462 398442106 /nfs/dbraw/zinc/44/21/06/398442106.db2.gz MAXCYRPDOIIEOH-MRXNPFEDSA-N 2 1 319.449 2.618 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459455697 299110280 /nfs/dbraw/zinc/11/02/80/299110280.db2.gz DEGIYJJULJTGML-HOJAQTOUSA-N 2 1 313.489 2.820 20 0 DFADMP CC[NH+]1C[C@@H](C)N(CC[N@@H+](C)Cc2ccc(F)cc2)[C@H](C)C1 ZINC000459454260 299110003 /nfs/dbraw/zinc/11/00/03/299110003.db2.gz FBMYHLWLSLUXCM-HZPDHXFCSA-N 2 1 307.457 2.672 20 0 DFADMP CC(C)[C@H]([NH2+]C1CCN(C2CC2)CC1)c1nnc2ccccn21 ZINC000459468735 299113665 /nfs/dbraw/zinc/11/36/65/299113665.db2.gz RVCPOANDZVLRGI-KRWDZBQOSA-N 2 1 313.449 2.643 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000046381200 282376905 /nfs/dbraw/zinc/37/69/05/282376905.db2.gz WBWJPBGEXZJHHH-OAHLLOKOSA-N 2 1 318.465 2.602 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCO[C@@H]3CCCCO3)C2)[nH+]1 ZINC000181712953 199343010 /nfs/dbraw/zinc/34/30/10/199343010.db2.gz MQHBHJZMPLNYFS-FUHWJXTLSA-N 2 1 319.449 2.667 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCO[C@@H]3CCCCO3)C2)[nH+]1 ZINC000181712953 199343012 /nfs/dbraw/zinc/34/30/12/199343012.db2.gz MQHBHJZMPLNYFS-FUHWJXTLSA-N 2 1 319.449 2.667 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459498420 299121604 /nfs/dbraw/zinc/12/16/04/299121604.db2.gz LEDPUEIFIICCRN-KRWDZBQOSA-N 3 1 316.493 2.905 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000588200481 398489422 /nfs/dbraw/zinc/48/94/22/398489422.db2.gz AVTYGORVSBAUJC-OAHLLOKOSA-N 2 1 307.438 2.890 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000090708539 398491876 /nfs/dbraw/zinc/49/18/76/398491876.db2.gz FKQPKQGGHFYYDU-IEZWGBDMSA-N 2 1 302.462 2.912 20 0 DFADMP CCCN(CC[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000090811801 398493100 /nfs/dbraw/zinc/49/31/00/398493100.db2.gz WFLKPCIRMMRURK-GJZGRUSLSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090939300 398498313 /nfs/dbraw/zinc/49/83/13/398498313.db2.gz TYLAIXXZCFHGJH-KSSFIOAISA-N 2 1 306.425 2.600 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000181941575 199366073 /nfs/dbraw/zinc/36/60/73/199366073.db2.gz FEJCJNXPBMIXIG-UKRRQHHQSA-N 2 1 301.434 2.780 20 0 DFADMP CC[C@H](CCO)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272672866 210077938 /nfs/dbraw/zinc/07/79/38/210077938.db2.gz QCCPTAHFAUVMTJ-ZHALLVOQSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)(C)OC(=O)[C@@]1(C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000459558894 299133369 /nfs/dbraw/zinc/13/33/69/299133369.db2.gz JYUOSUYNOVGTIO-SFHVURJKSA-N 2 1 310.482 2.916 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459568353 299136790 /nfs/dbraw/zinc/13/67/90/299136790.db2.gz WQAPMROZRCFFBU-KRWDZBQOSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459568353 299136793 /nfs/dbraw/zinc/13/67/93/299136793.db2.gz WQAPMROZRCFFBU-KRWDZBQOSA-N 2 1 307.438 2.635 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000091333485 398526759 /nfs/dbraw/zinc/52/67/59/398526759.db2.gz JXMAVTKPHGPREV-NZSAHSFTSA-N 2 1 318.461 2.845 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@@H]3CO2)C(C)C)cc1 ZINC000091333485 398526762 /nfs/dbraw/zinc/52/67/62/398526762.db2.gz JXMAVTKPHGPREV-NZSAHSFTSA-N 2 1 318.461 2.845 20 0 DFADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000091336547 398526769 /nfs/dbraw/zinc/52/67/69/398526769.db2.gz CSRXMAWWZNUTJU-MSOLQXFVSA-N 2 1 305.466 2.605 20 0 DFADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000091336550 398526132 /nfs/dbraw/zinc/52/61/32/398526132.db2.gz CSRXMAWWZNUTJU-QZTJIDSGSA-N 2 1 305.466 2.605 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000279693687 215066989 /nfs/dbraw/zinc/06/69/89/215066989.db2.gz IFZCIVPTVLMRSB-QGZVFWFLSA-N 2 1 323.431 2.836 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H](C)C[NH+]2CCCCC2)n1 ZINC000091454638 398530668 /nfs/dbraw/zinc/53/06/68/398530668.db2.gz KSTYFDPJEVKJQK-AWEZNQCLSA-N 2 1 314.437 2.505 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2[C@H](C)CCC[C@H]2C)cn1 ZINC000414130570 295770669 /nfs/dbraw/zinc/77/06/69/295770669.db2.gz WRZMNNQUEAXYFY-ARFHVFGLSA-N 2 1 305.466 2.874 20 0 DFADMP CCC[C@]1(C(=O)OCC)CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000444784416 297251062 /nfs/dbraw/zinc/25/10/62/297251062.db2.gz NTFXDXPESYORQU-QGZVFWFLSA-N 2 1 307.438 2.779 20 0 DFADMP CCC[C@]1(C(=O)OCC)CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000444784416 297251063 /nfs/dbraw/zinc/25/10/63/297251063.db2.gz NTFXDXPESYORQU-QGZVFWFLSA-N 2 1 307.438 2.779 20 0 DFADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597051078 398555482 /nfs/dbraw/zinc/55/54/82/398555482.db2.gz GYNLGOITIIDXBR-CQSZACIVSA-N 2 1 324.852 2.948 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)C1 ZINC000597051078 398555483 /nfs/dbraw/zinc/55/54/83/398555483.db2.gz GYNLGOITIIDXBR-CQSZACIVSA-N 2 1 324.852 2.948 20 0 DFADMP COC(=O)c1oc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000597049042 398555938 /nfs/dbraw/zinc/55/59/38/398555938.db2.gz ZJLWWINNEQKWJC-CQSZACIVSA-N 2 1 322.449 2.976 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1Cl ZINC000597059130 398558058 /nfs/dbraw/zinc/55/80/58/398558058.db2.gz FNXOFQYSPANKEV-WCQYABFASA-N 2 1 310.825 2.699 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1Cl ZINC000597059130 398558060 /nfs/dbraw/zinc/55/80/60/398558060.db2.gz FNXOFQYSPANKEV-WCQYABFASA-N 2 1 310.825 2.699 20 0 DFADMP COC(=O)c1ccc(F)c(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000182020593 199375217 /nfs/dbraw/zinc/37/52/17/199375217.db2.gz QEGSQYITAVMFCH-UHFFFAOYSA-N 2 1 319.380 2.639 20 0 DFADMP COC(=O)c1ccc(F)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000182020593 199375219 /nfs/dbraw/zinc/37/52/19/199375219.db2.gz QEGSQYITAVMFCH-UHFFFAOYSA-N 2 1 319.380 2.639 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000279892507 215212263 /nfs/dbraw/zinc/21/22/63/215212263.db2.gz KUMGKOMRDIFQRU-AWEZNQCLSA-N 2 1 314.408 2.585 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000279892507 215212267 /nfs/dbraw/zinc/21/22/67/215212267.db2.gz KUMGKOMRDIFQRU-AWEZNQCLSA-N 2 1 314.408 2.585 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000597142081 398574926 /nfs/dbraw/zinc/57/49/26/398574926.db2.gz ZLKMNUZNJWVVNM-AGUYFDCRSA-N 2 1 322.836 2.841 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1Cl ZINC000597142081 398574930 /nfs/dbraw/zinc/57/49/30/398574930.db2.gz ZLKMNUZNJWVVNM-AGUYFDCRSA-N 2 1 322.836 2.841 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)c2O1 ZINC000414433970 295800850 /nfs/dbraw/zinc/80/08/50/295800850.db2.gz LMNWQBDJUHZNGO-LLVKDONJSA-N 2 1 321.327 2.557 20 0 DFADMP CC(C)C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126326 398599462 /nfs/dbraw/zinc/59/94/62/398599462.db2.gz DTUVQEZETRROIB-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000590126326 398599464 /nfs/dbraw/zinc/59/94/64/398599464.db2.gz DTUVQEZETRROIB-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000590126326 398599466 /nfs/dbraw/zinc/59/94/66/398599466.db2.gz DTUVQEZETRROIB-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)C[C@@H]1CCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000590126326 398599469 /nfs/dbraw/zinc/59/94/69/398599469.db2.gz DTUVQEZETRROIB-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000093201724 398623814 /nfs/dbraw/zinc/62/38/14/398623814.db2.gz UJAWMLXOVSOBIC-MRXNPFEDSA-N 2 1 316.453 2.634 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2nncn2C(C)C)C1 ZINC000093201724 398623816 /nfs/dbraw/zinc/62/38/16/398623816.db2.gz UJAWMLXOVSOBIC-MRXNPFEDSA-N 2 1 316.453 2.634 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000152491176 186079045 /nfs/dbraw/zinc/07/90/45/186079045.db2.gz KTYQIYGRPGBRJE-CRAIPNDOSA-N 2 1 306.450 2.784 20 0 DFADMP COCCOCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175706933 186190220 /nfs/dbraw/zinc/19/02/20/186190220.db2.gz JZCDRLQEGFQSDP-IEBWSBKVSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000175706933 186190221 /nfs/dbraw/zinc/19/02/21/186190221.db2.gz JZCDRLQEGFQSDP-IEBWSBKVSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175706933 186190223 /nfs/dbraw/zinc/19/02/23/186190223.db2.gz JZCDRLQEGFQSDP-IEBWSBKVSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000175706933 186190225 /nfs/dbraw/zinc/19/02/25/186190225.db2.gz JZCDRLQEGFQSDP-IEBWSBKVSA-N 2 1 320.477 2.634 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1C ZINC000093536481 398641046 /nfs/dbraw/zinc/64/10/46/398641046.db2.gz ODZKFLRCWIBTSQ-BHIYHBOVSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1C ZINC000093536481 398641050 /nfs/dbraw/zinc/64/10/50/398641050.db2.gz ODZKFLRCWIBTSQ-BHIYHBOVSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1C ZINC000093536481 398641055 /nfs/dbraw/zinc/64/10/55/398641055.db2.gz ODZKFLRCWIBTSQ-BHIYHBOVSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1C ZINC000093536481 398641061 /nfs/dbraw/zinc/64/10/61/398641061.db2.gz ODZKFLRCWIBTSQ-BHIYHBOVSA-N 2 1 316.493 2.826 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C)(O)CC1 ZINC000179725474 186210402 /nfs/dbraw/zinc/21/04/02/186210402.db2.gz SQWRATZVPBGSLI-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237496961 186297682 /nfs/dbraw/zinc/29/76/82/186297682.db2.gz VXRKPDXPELYZBF-FUHWJXTLSA-N 2 1 317.477 2.847 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000459724932 299173075 /nfs/dbraw/zinc/17/30/75/299173075.db2.gz FIMSUOROXOLOAQ-GOSISDBHSA-N 2 1 312.461 2.753 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268746021 186376058 /nfs/dbraw/zinc/37/60/58/186376058.db2.gz ASPFXPKJBZQZGK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268746021 186376060 /nfs/dbraw/zinc/37/60/60/186376060.db2.gz ASPFXPKJBZQZGK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268746021 186376061 /nfs/dbraw/zinc/37/60/61/186376061.db2.gz ASPFXPKJBZQZGK-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000268746682 186376334 /nfs/dbraw/zinc/37/63/34/186376334.db2.gz AUDLZCQITNIKSV-UAGQMJEPSA-N 2 1 318.461 2.851 20 0 DFADMP COc1cccc([C@@H](C)[NH+]2CCN(C[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000414704625 295817670 /nfs/dbraw/zinc/81/76/70/295817670.db2.gz WGMKZMGVXKULGP-SJLPKXTDSA-N 2 1 319.493 2.747 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459730585 299174526 /nfs/dbraw/zinc/17/45/26/299174526.db2.gz KSDTXGZNWMQZKQ-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP COc1cc(C)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459731208 299174989 /nfs/dbraw/zinc/17/49/89/299174989.db2.gz KXFIYJDRZQXGSF-HNNXBMFYSA-N 2 1 306.450 2.834 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC000459733026 299175724 /nfs/dbraw/zinc/17/57/24/299175724.db2.gz GFEIBQOZKPDAGD-NVXWUHKLSA-N 2 1 302.462 2.874 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000414814918 295821203 /nfs/dbraw/zinc/82/12/03/295821203.db2.gz ZOAGGPXXPJWECI-QMTHXVAHSA-N 2 1 313.239 2.762 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)c(Cl)c1 ZINC000414821101 295821969 /nfs/dbraw/zinc/82/19/69/295821969.db2.gz BSCOSAQTSWBMDF-QWHCGFSZSA-N 2 1 309.841 2.707 20 0 DFADMP c1ccc(COc2ccccc2C[NH2+]C[C@@H]2CCC[NH2+]C2)nc1 ZINC000414826392 295822585 /nfs/dbraw/zinc/82/25/85/295822585.db2.gz ISUINAFJWYDXRJ-MRXNPFEDSA-N 2 1 311.429 2.750 20 0 DFADMP CCCOc1c(C[NH2+]C[C@H]2CCC[NH2+]C2)cccc1OCC ZINC000414827387 295822982 /nfs/dbraw/zinc/82/29/82/295822982.db2.gz KPBQEBACBUIRIM-HNNXBMFYSA-N 2 1 306.450 2.963 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C[C@H]1C ZINC000414838390 295824598 /nfs/dbraw/zinc/82/45/98/295824598.db2.gz KPVSGQLBZBOYSA-XBVQOTNRSA-N 2 1 310.482 2.852 20 0 DFADMP COc1c(Br)cccc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414845423 295825526 /nfs/dbraw/zinc/82/55/26/295825526.db2.gz DKLUJNVMKYUTMX-LLVKDONJSA-N 2 1 313.239 2.547 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1O ZINC000277221180 213375776 /nfs/dbraw/zinc/37/57/76/213375776.db2.gz MBEWEDKSGBLIFV-CQSZACIVSA-N 2 1 304.434 2.573 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000073112956 398662841 /nfs/dbraw/zinc/66/28/41/398662841.db2.gz ATDLAGVCEZRAIT-SQNIBIBYSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000073112956 398662845 /nfs/dbraw/zinc/66/28/45/398662845.db2.gz ATDLAGVCEZRAIT-SQNIBIBYSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000073112956 398662846 /nfs/dbraw/zinc/66/28/46/398662846.db2.gz ATDLAGVCEZRAIT-SQNIBIBYSA-N 2 1 321.509 2.584 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OCC(C)C ZINC000414888218 295830411 /nfs/dbraw/zinc/83/04/11/295830411.db2.gz DZEWZMQMWZNCNU-MRXNPFEDSA-N 2 1 306.450 2.947 20 0 DFADMP C[C@@]1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CCC[NH2+]C1 ZINC000414910027 295833481 /nfs/dbraw/zinc/83/34/81/295833481.db2.gz SCTCEYRSWMFLKI-MRXNPFEDSA-N 2 1 302.447 2.684 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414903622 295832712 /nfs/dbraw/zinc/83/27/12/295832712.db2.gz KEYLSSBRJJJVAE-MRXNPFEDSA-N 2 1 316.424 2.860 20 0 DFADMP CC[N@H+](CCC[NH2+]Cc1ccc(C(=O)OC)[nH]1)C1CCCCC1 ZINC000593660581 398666816 /nfs/dbraw/zinc/66/68/16/398666816.db2.gz JRZHVHLDWACSCM-UHFFFAOYSA-N 2 1 321.465 2.936 20 0 DFADMP CC[N@@H+](CCC[NH2+]Cc1ccc(C(=O)OC)[nH]1)C1CCCCC1 ZINC000593660581 398666820 /nfs/dbraw/zinc/66/68/20/398666820.db2.gz JRZHVHLDWACSCM-UHFFFAOYSA-N 2 1 321.465 2.936 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277187219 213353850 /nfs/dbraw/zinc/35/38/50/213353850.db2.gz IJAZBIQXVYAYES-GOEBONIOSA-N 2 1 306.450 2.653 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[NH2+]1 ZINC000414946746 295838768 /nfs/dbraw/zinc/83/87/68/295838768.db2.gz KBQGCEZAQMZDOD-RDJZCZTQSA-N 2 1 311.429 2.891 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH2+]1 ZINC000414956180 295840752 /nfs/dbraw/zinc/84/07/52/295840752.db2.gz UZHBXPOZZUAJJZ-DOMZBBRYSA-N 2 1 304.825 2.756 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn3ccccc3n2)CC1 ZINC000590786177 398673956 /nfs/dbraw/zinc/67/39/56/398673956.db2.gz FQANIBIYFIELBW-UHFFFAOYSA-N 2 1 300.450 2.887 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]([NH3+])CC)ccc1OCC(F)(F)F ZINC000414980151 295843747 /nfs/dbraw/zinc/84/37/47/295843747.db2.gz PDOUVNRLSMCFNY-GFCCVEGCSA-N 2 1 320.355 2.853 20 0 DFADMP CCn1nc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c2ccccc21 ZINC000459778588 299189525 /nfs/dbraw/zinc/18/95/25/299189525.db2.gz LCPPRESZSKZVEW-HNNXBMFYSA-N 2 1 300.450 2.878 20 0 DFADMP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414994397 295845114 /nfs/dbraw/zinc/84/51/14/295845114.db2.gz DMDIDFDRVLPUBR-NSHDSACASA-N 2 1 306.303 2.622 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859245 191241338 /nfs/dbraw/zinc/24/13/38/191241338.db2.gz FGZUJLBZGMMADS-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859245 191241341 /nfs/dbraw/zinc/24/13/41/191241341.db2.gz FGZUJLBZGMMADS-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859245 191241344 /nfs/dbraw/zinc/24/13/44/191241344.db2.gz FGZUJLBZGMMADS-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP COc1cccc(Cl)c1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415014035 295847361 /nfs/dbraw/zinc/84/73/61/295847361.db2.gz ZEHCWHHBYHENTE-JTQLQIEISA-N 2 1 304.768 2.683 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459789186 299193326 /nfs/dbraw/zinc/19/33/26/299193326.db2.gz QHESURUDEJSWOA-IRXDYDNUSA-N 2 1 317.477 2.750 20 0 DFADMP CCCCCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415045730 295850900 /nfs/dbraw/zinc/85/09/00/295850900.db2.gz UFBMJFPXGDMWQT-SFHVURJKSA-N 2 1 306.450 2.724 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000173620795 198233334 /nfs/dbraw/zinc/23/33/34/198233334.db2.gz VODBHLKGGBXHDV-CVEARBPZSA-N 2 1 317.477 2.715 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000401728247 398687860 /nfs/dbraw/zinc/68/78/60/398687860.db2.gz NCJSNJNDUDOVGB-UHFFFAOYSA-N 2 1 300.793 2.954 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+][C@@H]1CCN(c2ccccc2Cl)C1=O ZINC000415080769 295855678 /nfs/dbraw/zinc/85/56/78/295855678.db2.gz JZPBYQDOVJXBHG-UMVBOHGHSA-N 2 1 321.852 2.566 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCC(C)(C)C3CC3)C2)CC1 ZINC000593959131 398708670 /nfs/dbraw/zinc/70/86/70/398708670.db2.gz GZHOKAKZQDRHME-GOSISDBHSA-N 2 1 307.526 2.913 20 0 DFADMP CN(C(=O)c1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CCC[N@@H+](C)C1 ZINC000073988487 398715652 /nfs/dbraw/zinc/71/56/52/398715652.db2.gz HPYHCFHBDKYRAI-GOSISDBHSA-N 2 1 324.428 2.991 20 0 DFADMP COC1(C[NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)CCOCC1 ZINC000277052884 213264792 /nfs/dbraw/zinc/26/47/92/213264792.db2.gz QPKKNZKCDIGZID-KRWDZBQOSA-N 2 1 320.477 2.682 20 0 DFADMP CCC(CC)(C[NH3+])NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236769805 202001344 /nfs/dbraw/zinc/00/13/44/202001344.db2.gz JEDUOKSEEKDBTK-QGZVFWFLSA-N 2 1 317.477 2.532 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000129446496 283015859 /nfs/dbraw/zinc/01/58/59/283015859.db2.gz LUDRWVKVGLVDOP-CHWSQXEVSA-N 2 1 308.388 2.544 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129574960 283021581 /nfs/dbraw/zinc/02/15/81/283021581.db2.gz GTZPDPCQCPNSEY-MDZRGWNJSA-N 2 1 312.461 2.733 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000130618992 283054834 /nfs/dbraw/zinc/05/48/34/283054834.db2.gz DPCYQALBCVYRIE-UHFFFAOYSA-N 2 1 302.353 2.994 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1nc2ccc(F)cc2o1 ZINC000130618992 283054838 /nfs/dbraw/zinc/05/48/38/283054838.db2.gz DPCYQALBCVYRIE-UHFFFAOYSA-N 2 1 302.353 2.994 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)Cc1noc(-c2ccccc2)n1 ZINC000130642300 283055751 /nfs/dbraw/zinc/05/57/51/283055751.db2.gz UWDNTOHGKOBIGY-UHFFFAOYSA-N 2 1 311.389 2.764 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000130933659 283066703 /nfs/dbraw/zinc/06/67/03/283066703.db2.gz QOWDXHAJBSSJQC-RDJZCZTQSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@@H]1C ZINC000130933659 283066708 /nfs/dbraw/zinc/06/67/08/283066708.db2.gz QOWDXHAJBSSJQC-RDJZCZTQSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000132757777 283128937 /nfs/dbraw/zinc/12/89/37/283128937.db2.gz ZBHGQCIPKXPMFF-HNNXBMFYSA-N 2 1 309.417 2.803 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000132919932 283133744 /nfs/dbraw/zinc/13/37/44/283133744.db2.gz FGHXXNGMAGVVLO-UHFFFAOYSA-N 2 1 301.478 2.902 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353640729 283138853 /nfs/dbraw/zinc/13/88/53/283138853.db2.gz HNMKIXIMOPIHJM-WPVAHCMFSA-N 2 1 314.473 2.615 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000591472600 398765365 /nfs/dbraw/zinc/76/53/65/398765365.db2.gz ONLBRDRMMXUAGY-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@H]1C(C)(C)C ZINC000591472600 398765356 /nfs/dbraw/zinc/76/53/56/398765356.db2.gz ONLBRDRMMXUAGY-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000591472600 398765357 /nfs/dbraw/zinc/76/53/57/398765357.db2.gz ONLBRDRMMXUAGY-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@H]1C(C)(C)C ZINC000591472600 398765361 /nfs/dbraw/zinc/76/53/61/398765361.db2.gz ONLBRDRMMXUAGY-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@H]1C(C)(C)C ZINC000591472600 398765363 /nfs/dbraw/zinc/76/53/63/398765363.db2.gz ONLBRDRMMXUAGY-ROUUACIJSA-N 2 1 304.478 2.990 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000591578249 398773261 /nfs/dbraw/zinc/77/32/61/398773261.db2.gz GKBXNJOEAPCZQH-ZIAGYGMSSA-N 2 1 320.433 2.874 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000081578743 192295581 /nfs/dbraw/zinc/29/55/81/192295581.db2.gz LUQZKRYOPJBGKO-INIZCTEOSA-N 2 1 303.450 2.679 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000081578743 192295582 /nfs/dbraw/zinc/29/55/82/192295582.db2.gz LUQZKRYOPJBGKO-INIZCTEOSA-N 2 1 303.450 2.679 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000081578743 192295585 /nfs/dbraw/zinc/29/55/85/192295585.db2.gz LUQZKRYOPJBGKO-INIZCTEOSA-N 2 1 303.450 2.679 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)c2ccc(C[NH3+])cc2)c1 ZINC000236877715 202047671 /nfs/dbraw/zinc/04/76/71/202047671.db2.gz FOZOLLVYXQNXJL-UHFFFAOYSA-N 2 1 311.429 2.527 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000121227073 398786712 /nfs/dbraw/zinc/78/67/12/398786712.db2.gz GEKHBGJFXYBZJS-SFHVURJKSA-N 2 1 301.478 2.582 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000361272592 283208830 /nfs/dbraw/zinc/20/88/30/283208830.db2.gz QCWPJXOHIDXZDZ-ZWKOTPCHSA-N 2 1 323.525 2.974 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000154523409 283209504 /nfs/dbraw/zinc/20/95/04/283209504.db2.gz DXIQMVGUBCOIRZ-ZWKOTPCHSA-N 2 1 323.525 2.831 20 0 DFADMP CCC[C@@H](C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135348845 283216368 /nfs/dbraw/zinc/21/63/68/283216368.db2.gz CYFRDXYDHAQKTE-AEFFLSMTSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000237193009 202184964 /nfs/dbraw/zinc/18/49/64/202184964.db2.gz SSVUYHKRCKPAEH-KRWDZBQOSA-N 2 1 309.413 2.555 20 0 DFADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000237193009 202184966 /nfs/dbraw/zinc/18/49/66/202184966.db2.gz SSVUYHKRCKPAEH-KRWDZBQOSA-N 2 1 309.413 2.555 20 0 DFADMP CCN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000136303650 283238185 /nfs/dbraw/zinc/23/81/85/283238185.db2.gz WICAIDCCAWVJTF-UHFFFAOYSA-N 2 1 314.433 2.567 20 0 DFADMP CCN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)c1ccccc1 ZINC000136303650 283238190 /nfs/dbraw/zinc/23/81/90/283238190.db2.gz WICAIDCCAWVJTF-UHFFFAOYSA-N 2 1 314.433 2.567 20 0 DFADMP [NH2+]=C(NC[C@@H]1CCC[N@H+]1CCc1ccccc1)Nc1ccccn1 ZINC000365858462 283262950 /nfs/dbraw/zinc/26/29/50/283262950.db2.gz BRCVGPOESVJNLM-KRWDZBQOSA-N 2 1 323.444 2.725 20 0 DFADMP O[C@H](C[N@H+](Cc1ccccc1)CC1CC[NH2+]CC1)c1ccco1 ZINC000178976667 198963292 /nfs/dbraw/zinc/96/32/92/198963292.db2.gz FZLJPLHSRYGIEB-GOSISDBHSA-N 2 1 314.429 2.815 20 0 DFADMP Cc1c(C[NH+]2CCN(c3cc[nH+]cc3)CC2)cccc1[N+](=O)[O-] ZINC000125259104 398807352 /nfs/dbraw/zinc/80/73/52/398807352.db2.gz LAVVERVXECCARM-UHFFFAOYSA-N 2 1 312.373 2.620 20 0 DFADMP CS[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C(C)(C)C ZINC000594499523 398810810 /nfs/dbraw/zinc/81/08/10/398810810.db2.gz DUHWQXXFMDETDY-LSDHHAIUSA-N 2 1 300.512 2.607 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000179507533 199047943 /nfs/dbraw/zinc/04/79/43/199047943.db2.gz SBGUYRISICUGBK-UXLLHSPISA-N 2 1 320.477 2.955 20 0 DFADMP CCOCc1cc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000179631217 199067853 /nfs/dbraw/zinc/06/78/53/199067853.db2.gz IWLVDPRBIBFYNJ-MRXNPFEDSA-N 2 1 306.450 2.615 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)ccc1OC ZINC000179631217 199067855 /nfs/dbraw/zinc/06/78/55/199067855.db2.gz IWLVDPRBIBFYNJ-MRXNPFEDSA-N 2 1 306.450 2.615 20 0 DFADMP Cc1ccc(NCCCNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)[nH+]c1 ZINC000127720359 398822708 /nfs/dbraw/zinc/82/27/08/398822708.db2.gz NDRHYGCEYDYUKO-XHSDSOJGSA-N 2 1 318.465 2.570 20 0 DFADMP Cc1ccc(NCCCNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)[nH+]c1 ZINC000127720359 398822709 /nfs/dbraw/zinc/82/27/09/398822709.db2.gz NDRHYGCEYDYUKO-XHSDSOJGSA-N 2 1 318.465 2.570 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c(C)o1 ZINC000594599628 398828565 /nfs/dbraw/zinc/82/85/65/398828565.db2.gz ILCFWGMRRNNGNV-ZDUSSCGKSA-N 2 1 308.422 2.586 20 0 DFADMP COCC[N@@H+](C)CCCN[C@@H](c1ccccc1)c1ccccn1 ZINC000180104200 199117888 /nfs/dbraw/zinc/11/78/88/199117888.db2.gz DELKLUOLKWNHPA-IBGZPJMESA-N 2 1 313.445 2.729 20 0 DFADMP CC(C)(C[NH2+]Cc1ccc2c(c1)OCCO2)C[NH+]1CCCC1 ZINC000276678239 213041099 /nfs/dbraw/zinc/04/10/99/213041099.db2.gz GXOPYEADODWWKV-UHFFFAOYSA-N 2 1 304.434 2.669 20 0 DFADMP CC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000130321346 398843708 /nfs/dbraw/zinc/84/37/08/398843708.db2.gz RFMXQEBOQLZMEN-RVKKMQEKSA-N 2 1 317.477 2.518 20 0 DFADMP C[NH+](CCC[N@@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000152920361 283345139 /nfs/dbraw/zinc/34/51/39/283345139.db2.gz GQXVWGDXOVVOPT-UHFFFAOYSA-N 2 1 312.461 2.516 20 0 DFADMP C[NH+](CCC[N@H+](C)CCc1ccccn1)CCc1ccccn1 ZINC000152920361 283345141 /nfs/dbraw/zinc/34/51/41/283345141.db2.gz GQXVWGDXOVVOPT-UHFFFAOYSA-N 2 1 312.461 2.516 20 0 DFADMP CS[C@H]1CCCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000134609774 398866520 /nfs/dbraw/zinc/86/65/20/398866520.db2.gz PBFUELYTWCWPPF-MSOLQXFVSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@H]1CCCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000134609774 398866525 /nfs/dbraw/zinc/86/65/25/398866525.db2.gz PBFUELYTWCWPPF-MSOLQXFVSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@H]1CCCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000134609774 398866529 /nfs/dbraw/zinc/86/65/29/398866529.db2.gz PBFUELYTWCWPPF-MSOLQXFVSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@H]1CCCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000134609774 398866535 /nfs/dbraw/zinc/86/65/35/398866535.db2.gz PBFUELYTWCWPPF-MSOLQXFVSA-N 2 1 322.518 2.697 20 0 DFADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC)C1CCCCC1 ZINC000594944684 398878646 /nfs/dbraw/zinc/87/86/46/398878646.db2.gz BCLCFDXBWCIUOW-HYVNUMGLSA-N 2 1 310.482 2.818 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)cc1)C(C)C ZINC000153681724 283373723 /nfs/dbraw/zinc/37/37/23/283373723.db2.gz FWZHYCZCEZWQAJ-IYBDPMFKSA-N 2 1 317.477 2.739 20 0 DFADMP Cc1cccc(C)c1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180962935 199233873 /nfs/dbraw/zinc/23/38/73/199233873.db2.gz CLMDANKCROKKIG-UHFFFAOYSA-N 2 1 303.494 2.761 20 0 DFADMP CC(C)n1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000173958541 283391720 /nfs/dbraw/zinc/39/17/20/283391720.db2.gz CSIPKGPCKQTEKO-UHFFFAOYSA-N 2 1 320.481 2.541 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1C ZINC000598955246 398897086 /nfs/dbraw/zinc/89/70/86/398897086.db2.gz KJTZJNIXSVDASU-GJZGRUSLSA-N 2 1 319.449 2.525 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1C ZINC000598955246 398897089 /nfs/dbraw/zinc/89/70/89/398897089.db2.gz KJTZJNIXSVDASU-GJZGRUSLSA-N 2 1 319.449 2.525 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000186789315 200010923 /nfs/dbraw/zinc/01/09/23/200010923.db2.gz WOBKMHWOVIVDIS-OUUBHVDSSA-N 2 1 314.473 2.790 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000595079926 398902856 /nfs/dbraw/zinc/90/28/56/398902856.db2.gz HRDROOMSVLPUMX-UYSNPLJNSA-N 2 1 308.466 2.715 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000595079926 398902858 /nfs/dbraw/zinc/90/28/58/398902858.db2.gz HRDROOMSVLPUMX-UYSNPLJNSA-N 2 1 308.466 2.715 20 0 DFADMP c1cc(CCC[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc2c1OCC2 ZINC000281015202 216023817 /nfs/dbraw/zinc/02/38/17/216023817.db2.gz YYHAASUFGLLRTI-QZTJIDSGSA-N 2 1 300.446 2.771 20 0 DFADMP c1cc(CCC[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)cc2c1OCC2 ZINC000281015200 216024209 /nfs/dbraw/zinc/02/42/09/216024209.db2.gz YYHAASUFGLLRTI-MSOLQXFVSA-N 2 1 300.446 2.771 20 0 DFADMP COC(=O)CC1CCC([NH2+]CCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000599021990 398909206 /nfs/dbraw/zinc/90/92/06/398909206.db2.gz MRFSSFLPNKRCNW-GTPINHCMSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCCCCC[NH3+] ZINC000237511349 202267669 /nfs/dbraw/zinc/26/76/69/202267669.db2.gz YLQDGUFVQMEUCO-QGZVFWFLSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCCCC[NH3+] ZINC000237511349 202267671 /nfs/dbraw/zinc/26/76/71/202267671.db2.gz YLQDGUFVQMEUCO-QGZVFWFLSA-N 2 1 317.477 2.629 20 0 DFADMP Cc1nccnc1[C@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000187896651 200173547 /nfs/dbraw/zinc/17/35/47/200173547.db2.gz WPZLRKZTVNFADZ-HNNXBMFYSA-N 2 1 314.433 2.576 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@@H]1CCC[NH2+]C1 ZINC000237535935 202275322 /nfs/dbraw/zinc/27/53/22/202275322.db2.gz NNBPLCVQEYLTON-KZNAEPCWSA-N 2 1 323.525 2.641 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237618906 202307439 /nfs/dbraw/zinc/30/74/39/202307439.db2.gz GXDQLOSBYPEODN-SJORKVTESA-N 2 1 323.525 2.783 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC=CO3)CC2)cc1 ZINC000188570707 200267505 /nfs/dbraw/zinc/26/75/05/200267505.db2.gz HJEYDNWJKNPMJI-IBGZPJMESA-N 2 1 300.446 2.976 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cncn2C)cc1 ZINC000471776032 299303594 /nfs/dbraw/zinc/30/35/94/299303594.db2.gz WJVHPXQDHCRNDJ-CQSZACIVSA-N 2 1 309.417 2.808 20 0 DFADMP Cc1ccc(F)cc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000189288332 200376473 /nfs/dbraw/zinc/37/64/73/200376473.db2.gz WBONYYBFJCGMTQ-UHFFFAOYSA-N 2 1 307.457 2.592 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000471848530 299309682 /nfs/dbraw/zinc/30/96/82/299309682.db2.gz QPKWFXSZSIQJHE-SLFFLAALSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000471848530 299309684 /nfs/dbraw/zinc/30/96/84/299309684.db2.gz QPKWFXSZSIQJHE-SLFFLAALSA-N 3 1 315.505 2.658 20 0 DFADMP FC(F)CN1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000417396648 296016649 /nfs/dbraw/zinc/01/66/49/296016649.db2.gz XFAZMYBZDDSWLG-KRWDZBQOSA-N 2 1 323.431 2.580 20 0 DFADMP COC(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000599283772 398947869 /nfs/dbraw/zinc/94/78/69/398947869.db2.gz CYSHQDUQHYZBEX-QGZVFWFLSA-N 2 1 310.482 2.918 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000193295540 201023225 /nfs/dbraw/zinc/02/32/25/201023225.db2.gz ZQZULLMBFGRZCN-HUUCEWRRSA-N 2 1 303.450 2.984 20 0 DFADMP O[C@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193349128 201035548 /nfs/dbraw/zinc/03/55/48/201035548.db2.gz UVUYSVDQSNTNHD-NWJVMNJYSA-N 2 1 314.473 2.933 20 0 DFADMP [NH3+][C@@H](CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000167717409 398995442 /nfs/dbraw/zinc/99/54/42/398995442.db2.gz YCLMDTLMUPNBRM-WMZOPIPTSA-N 2 1 315.461 2.600 20 0 DFADMP CC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000605026222 398994329 /nfs/dbraw/zinc/99/43/29/398994329.db2.gz HWLCTAWBEJPRGE-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000605026222 398994334 /nfs/dbraw/zinc/99/43/34/398994334.db2.gz HWLCTAWBEJPRGE-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000605026222 398994337 /nfs/dbraw/zinc/99/43/37/398994337.db2.gz HWLCTAWBEJPRGE-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000605026222 398994342 /nfs/dbraw/zinc/99/43/42/398994342.db2.gz HWLCTAWBEJPRGE-MJGOQNOKSA-N 2 1 304.478 2.991 20 0 DFADMP COCCCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280331 201372407 /nfs/dbraw/zinc/37/24/07/201372407.db2.gz TUWCTXIMXPJCON-SFHVURJKSA-N 2 1 305.466 2.652 20 0 DFADMP COCCCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195280331 201372409 /nfs/dbraw/zinc/37/24/09/201372409.db2.gz TUWCTXIMXPJCON-SFHVURJKSA-N 2 1 305.466 2.652 20 0 DFADMP COCCCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195280331 201372411 /nfs/dbraw/zinc/37/24/11/201372411.db2.gz TUWCTXIMXPJCON-SFHVURJKSA-N 2 1 305.466 2.652 20 0 DFADMP COCCCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195280331 201372414 /nfs/dbraw/zinc/37/24/14/201372414.db2.gz TUWCTXIMXPJCON-SFHVURJKSA-N 2 1 305.466 2.652 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621659620 399012503 /nfs/dbraw/zinc/01/25/03/399012503.db2.gz NWVABMFTNVCVAD-MHORFTMASA-N 2 1 321.509 2.630 20 0 DFADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000292951937 223324247 /nfs/dbraw/zinc/32/42/47/223324247.db2.gz CADROBXZFHUVDK-RBUKOAKNSA-N 2 1 320.452 2.679 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000091333541 193041698 /nfs/dbraw/zinc/04/16/98/193041698.db2.gz VZAOZYOSWOBTEA-XYPHTWIQSA-N 2 1 308.853 2.724 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000091333541 193041701 /nfs/dbraw/zinc/04/17/01/193041701.db2.gz VZAOZYOSWOBTEA-XYPHTWIQSA-N 2 1 308.853 2.724 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043467 193146733 /nfs/dbraw/zinc/14/67/33/193146733.db2.gz ILZCUTHEIXOWJW-CVEARBPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000092043467 193146734 /nfs/dbraw/zinc/14/67/34/193146734.db2.gz ILZCUTHEIXOWJW-CVEARBPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043467 193146736 /nfs/dbraw/zinc/14/67/36/193146736.db2.gz ILZCUTHEIXOWJW-CVEARBPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043467 193146739 /nfs/dbraw/zinc/14/67/39/193146739.db2.gz ILZCUTHEIXOWJW-CVEARBPZSA-N 2 1 304.434 2.620 20 0 DFADMP CCCc1ccc(C[N@H+]2CC[C@@H](CN3CCOCC3)C2)s1 ZINC000621717803 399043367 /nfs/dbraw/zinc/04/33/67/399043367.db2.gz OJQQXIRPAZOCQQ-HNNXBMFYSA-N 2 1 308.491 2.855 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCC[C@@H]21 ZINC000599653088 399044687 /nfs/dbraw/zinc/04/46/87/399044687.db2.gz IUSGPXOWSRMGPH-BRWVUGGUSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC(C)(C)O ZINC000079443176 399044852 /nfs/dbraw/zinc/04/48/52/399044852.db2.gz FQKZKSWBWIUOMM-AEFFLSMTSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCC(C)(C)O ZINC000079443176 399044856 /nfs/dbraw/zinc/04/48/56/399044856.db2.gz FQKZKSWBWIUOMM-AEFFLSMTSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCC(C)(C)O ZINC000079443176 399044861 /nfs/dbraw/zinc/04/48/61/399044861.db2.gz FQKZKSWBWIUOMM-AEFFLSMTSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCC(C)(C)O ZINC000079443176 399044864 /nfs/dbraw/zinc/04/48/64/399044864.db2.gz FQKZKSWBWIUOMM-AEFFLSMTSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000271783763 209212478 /nfs/dbraw/zinc/21/24/78/209212478.db2.gz FHLHVBUSSMFQDO-UHFFFAOYSA-N 2 1 311.223 2.506 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(O)ccc2Br)CC1 ZINC000271783763 209212482 /nfs/dbraw/zinc/21/24/82/209212482.db2.gz FHLHVBUSSMFQDO-UHFFFAOYSA-N 2 1 311.223 2.506 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271782257 209210066 /nfs/dbraw/zinc/21/00/66/209210066.db2.gz HWWFALPBFHDTIY-INIZCTEOSA-N 2 1 300.450 2.737 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271782257 209210070 /nfs/dbraw/zinc/21/00/70/209210070.db2.gz HWWFALPBFHDTIY-INIZCTEOSA-N 2 1 300.450 2.737 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000262107663 291380758 /nfs/dbraw/zinc/38/07/58/291380758.db2.gz WEIMWFLUMREVIF-QAPCUYQASA-N 2 1 302.418 2.594 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@H]21 ZINC000595735073 399063395 /nfs/dbraw/zinc/06/33/95/399063395.db2.gz VKANTFAMCQMWEM-YESZJQIVSA-N 2 1 310.482 2.772 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293106928 223399405 /nfs/dbraw/zinc/39/94/05/223399405.db2.gz YDOHYEVQKYGSHM-LJQANCHMSA-N 2 1 315.461 2.741 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293106928 223399408 /nfs/dbraw/zinc/39/94/08/223399408.db2.gz YDOHYEVQKYGSHM-LJQANCHMSA-N 2 1 315.461 2.741 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293106928 223399411 /nfs/dbraw/zinc/39/94/11/223399411.db2.gz YDOHYEVQKYGSHM-LJQANCHMSA-N 2 1 315.461 2.741 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cncc(Cl)c2)C[C@H]1c1ccccc1 ZINC000621775452 399073396 /nfs/dbraw/zinc/07/33/96/399073396.db2.gz PFGLXEFLYKOXPL-WBVHZDCISA-N 2 1 301.821 2.909 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cncc(Cl)c2)C[C@H]1c1ccccc1 ZINC000621775452 399073405 /nfs/dbraw/zinc/07/34/05/399073405.db2.gz PFGLXEFLYKOXPL-WBVHZDCISA-N 2 1 301.821 2.909 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000280797347 283977426 /nfs/dbraw/zinc/97/74/26/283977426.db2.gz GYNXCABQPXVGEV-DOTOQJQBSA-N 2 1 316.424 2.974 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000418944336 296121369 /nfs/dbraw/zinc/12/13/69/296121369.db2.gz NKRFYKXKCGZEDF-UHFFFAOYSA-N 2 1 319.449 2.632 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CC(=O)OC(C)(C)C)CC2)cc[nH+]1 ZINC000418944336 296121370 /nfs/dbraw/zinc/12/13/70/296121370.db2.gz NKRFYKXKCGZEDF-UHFFFAOYSA-N 2 1 319.449 2.632 20 0 DFADMP Cc1ccnc(NC[C@@H]2CCN(c3ccnc(C4CC4)n3)C2)c1 ZINC000599812112 399096328 /nfs/dbraw/zinc/09/63/28/399096328.db2.gz BHWMCAAFRVXPOA-AWEZNQCLSA-N 2 1 309.417 2.996 20 0 DFADMP CC[C@@H](c1ccccc1)[N@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338235834 284091969 /nfs/dbraw/zinc/09/19/69/284091969.db2.gz QRJOBDBQBPTCCS-SFHVURJKSA-N 2 1 317.477 2.624 20 0 DFADMP CC[C@@H](c1ccccc1)[N@@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338235834 284091972 /nfs/dbraw/zinc/09/19/72/284091972.db2.gz QRJOBDBQBPTCCS-SFHVURJKSA-N 2 1 317.477 2.624 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)C(=O)NC1CCC(C)CC1 ZINC000419285117 296131774 /nfs/dbraw/zinc/13/17/74/296131774.db2.gz DDEZZSPHHBKXDX-PCKAHOCUSA-N 2 1 321.509 2.676 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545209 203076433 /nfs/dbraw/zinc/07/64/33/203076433.db2.gz JQMSQMHRUDDNDJ-SUMDDJOVSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)CCC[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000338431074 284112110 /nfs/dbraw/zinc/11/21/10/284112110.db2.gz OJXPPEMIJBBVLQ-UHFFFAOYSA-N 2 1 303.494 2.960 20 0 DFADMP CO[C@@H](CC(C)C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000419315829 296134511 /nfs/dbraw/zinc/13/45/11/296134511.db2.gz WPGZBHSDXIRIDN-MOPGFXCFSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@@H](CC(C)C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000419315829 296134512 /nfs/dbraw/zinc/13/45/12/296134512.db2.gz WPGZBHSDXIRIDN-MOPGFXCFSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000419315829 296134513 /nfs/dbraw/zinc/13/45/13/296134513.db2.gz WPGZBHSDXIRIDN-MOPGFXCFSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@@H](CC(C)C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000419315829 296134514 /nfs/dbraw/zinc/13/45/14/296134514.db2.gz WPGZBHSDXIRIDN-MOPGFXCFSA-N 2 1 319.493 2.896 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000481723206 299399166 /nfs/dbraw/zinc/39/91/66/299399166.db2.gz KUKMADBRKDTMDX-UKRRQHHQSA-N 2 1 304.434 2.623 20 0 DFADMP Cc1ncccc1OC[C@H]1CCC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000419384638 296138645 /nfs/dbraw/zinc/13/86/45/296138645.db2.gz GQMMJIMGQFPSCE-IAGOWNOFSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1OC[C@H]1CCC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000419384638 296138646 /nfs/dbraw/zinc/13/86/46/296138646.db2.gz GQMMJIMGQFPSCE-IAGOWNOFSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1OC[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000419384638 296138647 /nfs/dbraw/zinc/13/86/47/296138647.db2.gz GQMMJIMGQFPSCE-IAGOWNOFSA-N 2 1 303.450 2.718 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000262309631 203256649 /nfs/dbraw/zinc/25/66/49/203256649.db2.gz SIUKAJNTMZHHMX-QAPCUYQASA-N 2 1 317.477 2.661 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900865 399128165 /nfs/dbraw/zinc/12/81/65/399128165.db2.gz ODJAEKJFKYHADX-QGZVFWFLSA-N 2 1 310.482 2.822 20 0 DFADMP CCC[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[NH+](C)C ZINC000094128090 193346161 /nfs/dbraw/zinc/34/61/61/193346161.db2.gz SRDMHNDOTQREEQ-GOSISDBHSA-N 2 1 319.493 2.873 20 0 DFADMP CC[C@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000340520097 284185854 /nfs/dbraw/zinc/18/58/54/284185854.db2.gz OLXDTUQIUGMZSI-WMLDXEAASA-N 2 1 324.432 2.902 20 0 DFADMP C[NH2+][C@H]1CCN(c2cc[nH+]c3ccc(Br)cc32)C1 ZINC000420155175 296159868 /nfs/dbraw/zinc/15/98/68/296159868.db2.gz FERGELVNAFCLJJ-NSHDSACASA-N 2 1 306.207 2.795 20 0 DFADMP C[NH2+]C[C@@H](C)CNc1cc[nH+]c2ccc(Br)cc12 ZINC000420214458 296162743 /nfs/dbraw/zinc/16/27/43/296162743.db2.gz VOCYEFFFQKTBKW-SNVBAGLBSA-N 2 1 308.223 2.687 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3ccc(C)cc3)C2)CC1 ZINC000600117272 399142415 /nfs/dbraw/zinc/14/24/15/399142415.db2.gz KGPHQSHKXSKASE-UYAOXDASSA-N 2 1 315.505 2.810 20 0 DFADMP Brc1ccc2[nH+]ccc(N3C[C@H]4C[NH2+]C[C@H]4C3)c2c1 ZINC000420243549 296165121 /nfs/dbraw/zinc/16/51/21/296165121.db2.gz NWYDNOVLVCYCSK-PHIMTYICSA-N 2 1 318.218 2.653 20 0 DFADMP COc1cccc2c(N3CC[C@H]4C[NH2+]C[C@H]4CC3)cc(C)[nH+]c12 ZINC000420260024 296166588 /nfs/dbraw/zinc/16/65/88/296166588.db2.gz MPRGYQWWTJXTQV-GASCZTMLSA-N 2 1 311.429 2.988 20 0 DFADMP [NH3+]C[C@H]1CC[C@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000420265924 296167135 /nfs/dbraw/zinc/16/71/35/296167135.db2.gz FNERFUIWUHFJPV-JQWIXIFHSA-N 2 1 320.234 2.959 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279924 296168658 /nfs/dbraw/zinc/16/86/58/296168658.db2.gz XTXASAQXVIHMTO-DOMZBBRYSA-N 2 1 309.841 2.870 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000264824712 204186293 /nfs/dbraw/zinc/18/62/93/204186293.db2.gz YGLCLCMZYZNTLY-KRWDZBQOSA-N 2 1 324.472 2.841 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@H]1C ZINC000596058071 399157542 /nfs/dbraw/zinc/15/75/42/399157542.db2.gz BXWVKOQSMNTXJV-RANZSIQMSA-N 2 1 322.493 2.676 20 0 DFADMP OCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCc2ccccc21 ZINC000420295337 296170597 /nfs/dbraw/zinc/17/05/97/296170597.db2.gz CFJAKNYHLNVXDA-QFBILLFUSA-N 2 1 302.462 2.748 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420299024 296171249 /nfs/dbraw/zinc/17/12/49/296171249.db2.gz GBWKCWUKLNRBPB-HZPDHXFCSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c1 ZINC000420296440 296171009 /nfs/dbraw/zinc/17/10/09/296171009.db2.gz BZLWCKKQZVPURA-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP c1ccc(CC[N@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000420301526 296171657 /nfs/dbraw/zinc/17/16/57/296171657.db2.gz LKOFXAUGDUOWPH-RBUKOAKNSA-N 2 1 302.462 2.710 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420300253 296171294 /nfs/dbraw/zinc/17/12/94/296171294.db2.gz JSYOIFYVKKFJJY-QGZVFWFLSA-N 2 1 317.477 2.954 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1c(C)cccc1C ZINC000420300250 296171379 /nfs/dbraw/zinc/17/13/79/296171379.db2.gz JSYOIFYVKKFJJY-KRWDZBQOSA-N 2 1 317.477 2.954 20 0 DFADMP C[N@@H+](CCC[NH3+])CCOc1ccc(OCc2ccccc2)cc1 ZINC000420302062 296171559 /nfs/dbraw/zinc/17/15/59/296171559.db2.gz LXGBNORNCXLPNY-UHFFFAOYSA-N 2 1 314.429 2.925 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)ccc2o1 ZINC000420304282 296172097 /nfs/dbraw/zinc/17/20/97/296172097.db2.gz DXCDLKFBKVZKBR-HNNXBMFYSA-N 2 1 316.401 2.793 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420305153 296172141 /nfs/dbraw/zinc/17/21/41/296172141.db2.gz JUCJFFYVACPKHY-NEPJUHHUSA-N 2 1 318.442 2.857 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000420305153 296172142 /nfs/dbraw/zinc/17/21/42/296172142.db2.gz JUCJFFYVACPKHY-NEPJUHHUSA-N 2 1 318.442 2.857 20 0 DFADMP CC(C)[N@@H+](C[C@@H](O)COc1cccc2ccccc21)C[C@H](C)[NH3+] ZINC000420302979 296172199 /nfs/dbraw/zinc/17/21/99/296172199.db2.gz KEHONDIVGLGETH-DOTOQJQBSA-N 2 1 316.445 2.637 20 0 DFADMP CC(C)[N@H+](C[C@@H](O)COc1cccc2ccccc21)C[C@H](C)[NH3+] ZINC000420302979 296172201 /nfs/dbraw/zinc/17/22/01/296172201.db2.gz KEHONDIVGLGETH-DOTOQJQBSA-N 2 1 316.445 2.637 20 0 DFADMP c1cc([C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH2+]C2)cc2c1OCO2 ZINC000420304871 296172247 /nfs/dbraw/zinc/17/22/47/296172247.db2.gz OUNVOGUGWVDGCM-ZBFHGGJFSA-N 2 1 302.418 2.942 20 0 DFADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccccc1C ZINC000420300474 296171824 /nfs/dbraw/zinc/17/18/24/296171824.db2.gz HNUIBFFVVBEAAP-INIZCTEOSA-N 2 1 303.450 2.645 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@@H]1C ZINC000420308046 296172798 /nfs/dbraw/zinc/17/27/98/296172798.db2.gz CISWWIGHPFFAFP-JQHSSLGASA-N 2 1 319.493 2.542 20 0 DFADMP CCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420304217 296172291 /nfs/dbraw/zinc/17/22/91/296172291.db2.gz LGMVKKCVIBTQKE-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP C[C@@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCC[NH3+])OCCO3 ZINC000420303614 296172349 /nfs/dbraw/zinc/17/23/49/296172349.db2.gz KUIRXWHYLSNYDA-CQSZACIVSA-N 2 1 316.445 2.995 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420305387 296172441 /nfs/dbraw/zinc/17/24/41/296172441.db2.gz KBSPAJOZWQJTPG-BPUTZDHNSA-N 2 1 311.429 2.718 20 0 DFADMP Cc1[nH]c2ccccc2c1C(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000420305387 296172442 /nfs/dbraw/zinc/17/24/42/296172442.db2.gz KBSPAJOZWQJTPG-BPUTZDHNSA-N 2 1 311.429 2.718 20 0 DFADMP CC[C@@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420310977 296173505 /nfs/dbraw/zinc/17/35/05/296173505.db2.gz VPOOUZVJCGJLSG-LULLPPNCSA-N 2 1 304.478 2.818 20 0 DFADMP Fc1cccc(CC[N@@H+](CCN2CC[NH2+]CC2)C2CCCC2)c1 ZINC000420315181 296173585 /nfs/dbraw/zinc/17/35/85/296173585.db2.gz ZWSZXJHZDAHZLU-UHFFFAOYSA-N 2 1 319.468 2.518 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315117 296173672 /nfs/dbraw/zinc/17/36/72/296173672.db2.gz ZRLRVCVQJLECSW-DBOLQNLKSA-N 2 1 324.468 2.795 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307899 296172998 /nfs/dbraw/zinc/17/29/98/296172998.db2.gz JCUHMGYBUGKNKU-UFYCRDLUSA-N 3 1 315.505 2.658 20 0 DFADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323118 296175187 /nfs/dbraw/zinc/17/51/87/296175187.db2.gz FTAMCOZIAGESHC-JSGCOSHPSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1ccc(F)c(F)c1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323118 296175188 /nfs/dbraw/zinc/17/51/88/296175188.db2.gz FTAMCOZIAGESHC-JSGCOSHPSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323170 296175265 /nfs/dbraw/zinc/17/52/65/296175265.db2.gz FUJRZEYWPYQZBN-QWHCGFSZSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323170 296175266 /nfs/dbraw/zinc/17/52/66/296175266.db2.gz FUJRZEYWPYQZBN-QWHCGFSZSA-N 2 1 310.388 2.713 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCCC1 ZINC000420322919 296175388 /nfs/dbraw/zinc/17/53/88/296175388.db2.gz STERKHQNBJHFRT-OTWHNJEPSA-N 2 1 302.462 2.572 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321070 296174830 /nfs/dbraw/zinc/17/48/30/296174830.db2.gz CFPXGQYLKHEYKU-SJORKVTESA-N 2 1 318.461 2.786 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CCCC[C@H]3CC[NH3+])ccc2o1 ZINC000420321011 296174904 /nfs/dbraw/zinc/17/49/04/296174904.db2.gz VAYUVDMSRIFJBP-HNNXBMFYSA-N 2 1 316.401 2.923 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325479 296175839 /nfs/dbraw/zinc/17/58/39/296175839.db2.gz WQAGGSSLNFOEDK-QYZOEREBSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325479 296175840 /nfs/dbraw/zinc/17/58/40/296175840.db2.gz WQAGGSSLNFOEDK-QYZOEREBSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420325479 296175841 /nfs/dbraw/zinc/17/58/41/296175841.db2.gz WQAGGSSLNFOEDK-QYZOEREBSA-N 3 1 307.526 2.963 20 0 DFADMP FC(F)(F)c1csc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420329228 296175982 /nfs/dbraw/zinc/17/59/82/296175982.db2.gz OCMUHETTZOHBOP-MNOVXSKESA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1csc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000420329228 296175983 /nfs/dbraw/zinc/17/59/83/296175983.db2.gz OCMUHETTZOHBOP-MNOVXSKESA-N 2 1 319.396 2.983 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338275 296177473 /nfs/dbraw/zinc/17/74/73/296177473.db2.gz XQTDUXZGDCIYFO-PMACEKPBSA-N 2 1 316.489 2.957 20 0 DFADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cs1 ZINC000420343657 296177743 /nfs/dbraw/zinc/17/77/43/296177743.db2.gz ZLMGRAVVRSXQPW-SWLSCSKDSA-N 2 1 309.479 2.815 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000420343437 296177881 /nfs/dbraw/zinc/17/78/81/296177881.db2.gz ZBDBYSCMJWXTDU-MSOLQXFVSA-N 2 1 316.445 2.673 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420344034 296177964 /nfs/dbraw/zinc/17/79/64/296177964.db2.gz RUDQQQXHKILSPR-UONOGXRCSA-N 2 1 321.852 2.600 20 0 DFADMP COc1ccccc1CCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420338264 296177599 /nfs/dbraw/zinc/17/75/99/296177599.db2.gz XPYALCLKRDCOIF-QZTJIDSGSA-N 2 1 302.462 2.949 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420353927 296178845 /nfs/dbraw/zinc/17/88/45/296178845.db2.gz CKVXCLXOWZDKDS-AWEZNQCLSA-N 2 1 302.422 2.632 20 0 DFADMP Clc1cnc(C[NH+]2CCC3(CC[NH2+]C3)CC2)c(Cl)c1 ZINC000420346390 296178433 /nfs/dbraw/zinc/17/84/33/296178433.db2.gz WTRHXWGOHWDVDL-UHFFFAOYSA-N 2 1 300.233 2.964 20 0 DFADMP c1ccc(CC[C@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420358002 296179562 /nfs/dbraw/zinc/17/95/62/296179562.db2.gz IOSWLZKBRRWWLP-IBGZPJMESA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@@H]1[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420357133 296179574 /nfs/dbraw/zinc/17/95/74/296179574.db2.gz DDQLHZBGUCVEPN-CKEIUWERSA-N 2 1 314.433 2.645 20 0 DFADMP COc1ccc(OCCC[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000420359471 296180123 /nfs/dbraw/zinc/18/01/23/296180123.db2.gz KRXWNODRJXKHKC-GOSISDBHSA-N 2 1 306.450 2.961 20 0 DFADMP c1ccc(CC[C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364344 296180269 /nfs/dbraw/zinc/18/02/69/296180269.db2.gz QOIBFQRMLLSCBE-RBUKOAKNSA-N 2 1 302.462 2.710 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)Nc1ccc(Cl)cc1F ZINC000420364094 296180283 /nfs/dbraw/zinc/18/02/83/296180283.db2.gz OSSHOXCEWLUPHO-CYBMUJFWSA-N 2 1 315.820 2.771 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCOc1cccc(Br)c1 ZINC000420362317 296180305 /nfs/dbraw/zinc/18/03/05/296180305.db2.gz MYVIHZOFXWLHLR-CYBMUJFWSA-N 2 1 315.255 2.791 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420365666 296180755 /nfs/dbraw/zinc/18/07/55/296180755.db2.gz QKLFLTFDINGCDM-GFCCVEGCSA-N 2 1 308.451 2.694 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000420367222 296180997 /nfs/dbraw/zinc/18/09/97/296180997.db2.gz MVBCUTPROQGNQW-BFQNTYOBSA-N 2 1 309.841 2.645 20 0 DFADMP CCC(C)(C)[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420370544 296181933 /nfs/dbraw/zinc/18/19/33/296181933.db2.gz JMLQGJJZOJYDEW-OKZBNKHCSA-N 2 1 304.478 2.818 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1Cl ZINC000420383412 296184098 /nfs/dbraw/zinc/18/40/98/296184098.db2.gz ZQCLORAOKXSCMJ-KKXDTOCCSA-N 2 1 318.848 2.922 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+]3C[C@@H](C)[C@H]([NH3+])C3)CCC2)c1 ZINC000420389666 296184718 /nfs/dbraw/zinc/18/47/18/296184718.db2.gz XTVCWPXFTJPOMV-CRAIPNDOSA-N 2 1 318.461 2.661 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3C[C@@H](C)[C@H]([NH3+])C3)CCC2)c1 ZINC000420389666 296184721 /nfs/dbraw/zinc/18/47/21/296184721.db2.gz XTVCWPXFTJPOMV-CRAIPNDOSA-N 2 1 318.461 2.661 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000342089280 284324215 /nfs/dbraw/zinc/32/42/15/284324215.db2.gz SQSPAPULFJLBTK-HOTGVXAUSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c(C)c1OC ZINC000342089280 284324218 /nfs/dbraw/zinc/32/42/18/284324218.db2.gz SQSPAPULFJLBTK-HOTGVXAUSA-N 2 1 304.434 2.729 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342107993 284325992 /nfs/dbraw/zinc/32/59/92/284325992.db2.gz QHDMKWZTTRLUEL-DARAHFNDSA-N 2 1 319.424 2.520 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342107993 284325993 /nfs/dbraw/zinc/32/59/93/284325993.db2.gz QHDMKWZTTRLUEL-DARAHFNDSA-N 2 1 319.424 2.520 20 0 DFADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@@H]1C[NH3+] ZINC000420395234 296185796 /nfs/dbraw/zinc/18/57/96/296185796.db2.gz DEUWYVKTZMLAOZ-STQMWFEESA-N 2 1 309.841 2.585 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420399717 296185994 /nfs/dbraw/zinc/18/59/94/296185994.db2.gz OFFCDYATQSLCFL-KSZLIROESA-N 2 1 323.525 2.781 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420399717 296185995 /nfs/dbraw/zinc/18/59/95/296185995.db2.gz OFFCDYATQSLCFL-KSZLIROESA-N 2 1 323.525 2.781 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C[NH3+] ZINC000420418618 296188271 /nfs/dbraw/zinc/18/82/71/296188271.db2.gz XBBIREQYWRESFE-TZMCWYRMSA-N 2 1 303.381 2.897 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cc(-c3ccc(F)cc3)no2)C[C@H]1C[NH3+] ZINC000420418618 296188272 /nfs/dbraw/zinc/18/82/72/296188272.db2.gz XBBIREQYWRESFE-TZMCWYRMSA-N 2 1 303.381 2.897 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC23CCC3)C1 ZINC000282763392 217232769 /nfs/dbraw/zinc/23/27/69/217232769.db2.gz OKCPPZHNPGGQHX-ROUUACIJSA-N 2 1 300.446 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000266068579 205073884 /nfs/dbraw/zinc/07/38/84/205073884.db2.gz FDFQKCTVDVULDU-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)c1sccc1C[NH+](C)C ZINC000288314851 220078935 /nfs/dbraw/zinc/07/89/35/220078935.db2.gz IREIMQBKSNPSBN-ZFWWWQNUSA-N 2 1 321.490 2.509 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC(C)(C)CC1 ZINC000607755118 399192428 /nfs/dbraw/zinc/19/24/28/399192428.db2.gz GPVSQJFMCLTQGJ-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCCC(C)(C)CC1 ZINC000607755118 399192433 /nfs/dbraw/zinc/19/24/33/399192433.db2.gz GPVSQJFMCLTQGJ-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000607755118 399192440 /nfs/dbraw/zinc/19/24/40/399192440.db2.gz GPVSQJFMCLTQGJ-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCCC(C)(C)CC1 ZINC000607755118 399192446 /nfs/dbraw/zinc/19/24/46/399192446.db2.gz GPVSQJFMCLTQGJ-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C)CC3CC[NH+](C)CC3)s2)cn1 ZINC000282788287 217250456 /nfs/dbraw/zinc/25/04/56/217250456.db2.gz LQXLHAHDOJSRPV-UHFFFAOYSA-N 2 1 318.490 2.922 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000607754792 399192740 /nfs/dbraw/zinc/19/27/40/399192740.db2.gz YINKOVKCTPQCHN-AOIWGVFYSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000607754792 399192750 /nfs/dbraw/zinc/19/27/50/399192750.db2.gz YINKOVKCTPQCHN-AOIWGVFYSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000607754792 399192757 /nfs/dbraw/zinc/19/27/57/399192757.db2.gz YINKOVKCTPQCHN-AOIWGVFYSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000607754792 399192760 /nfs/dbraw/zinc/19/27/60/399192760.db2.gz YINKOVKCTPQCHN-AOIWGVFYSA-N 2 1 304.478 2.990 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CC)CC1)[C@H](O)c1c(F)cccc1F ZINC000271675435 209117770 /nfs/dbraw/zinc/11/77/70/209117770.db2.gz HFSORJNSCOLHAY-RDJZCZTQSA-N 2 1 312.404 2.851 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)n(C)n1 ZINC000342619623 284380680 /nfs/dbraw/zinc/38/06/80/284380680.db2.gz SQSLYOSCBQHTHR-PBHICJAKSA-N 2 1 304.482 2.861 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282990538 217374158 /nfs/dbraw/zinc/37/41/58/217374158.db2.gz FLHKZDDHPZDCPF-SNRMKQJTSA-N 2 1 302.462 2.615 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342726839 284395301 /nfs/dbraw/zinc/39/53/01/284395301.db2.gz JOYYDUWKMHHQSM-OAHLLOKOSA-N 2 1 304.482 2.984 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342726839 284395304 /nfs/dbraw/zinc/39/53/04/284395304.db2.gz JOYYDUWKMHHQSM-OAHLLOKOSA-N 2 1 304.482 2.984 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342726835 284395418 /nfs/dbraw/zinc/39/54/18/284395418.db2.gz JOYYDUWKMHHQSM-HNNXBMFYSA-N 2 1 304.482 2.984 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342726835 284395421 /nfs/dbraw/zinc/39/54/21/284395421.db2.gz JOYYDUWKMHHQSM-HNNXBMFYSA-N 2 1 304.482 2.984 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000342727740 284395601 /nfs/dbraw/zinc/39/56/01/284395601.db2.gz IAHGFIPXXQAUCQ-SJLPKXTDSA-N 2 1 320.477 2.973 20 0 DFADMP C[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000420933769 296214286 /nfs/dbraw/zinc/21/42/86/296214286.db2.gz IHZCPUWUQUGPCR-DLBZAZTESA-N 2 1 302.462 2.997 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H]1C ZINC000420933769 296214288 /nfs/dbraw/zinc/21/42/88/296214288.db2.gz IHZCPUWUQUGPCR-DLBZAZTESA-N 2 1 302.462 2.997 20 0 DFADMP C[C@H]1C[C@@H](NC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000267545282 206136405 /nfs/dbraw/zinc/13/64/05/206136405.db2.gz BLCKTJUHIJCRCQ-LPHOPBHVSA-N 2 1 301.478 2.723 20 0 DFADMP COC1([C@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000420960292 296218028 /nfs/dbraw/zinc/21/80/28/296218028.db2.gz GLOKASFMCTYEHI-INIZCTEOSA-N 2 1 318.461 2.566 20 0 DFADMP COC1([C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCC1 ZINC000420960295 296218163 /nfs/dbraw/zinc/21/81/63/296218163.db2.gz GLOKASFMCTYEHI-MRXNPFEDSA-N 2 1 318.461 2.566 20 0 DFADMP CC(C)[N@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccsc1 ZINC000421008895 296223871 /nfs/dbraw/zinc/22/38/71/296223871.db2.gz MNGGXDCDROAXBI-HNNXBMFYSA-N 2 1 323.506 2.684 20 0 DFADMP CC(C)[N@@H+](CCC(=O)N1CC[NH+](C)CC1)[C@@H](C)c1ccsc1 ZINC000421008895 296223873 /nfs/dbraw/zinc/22/38/73/296223873.db2.gz MNGGXDCDROAXBI-HNNXBMFYSA-N 2 1 323.506 2.684 20 0 DFADMP C[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCCC1 ZINC000608358143 399255549 /nfs/dbraw/zinc/25/55/49/399255549.db2.gz VEULJKWOHBAAGU-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP CCOC(=O)CCCCC[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000614779682 399267126 /nfs/dbraw/zinc/26/71/26/399267126.db2.gz CRKPPRJWYZIQRJ-OAHLLOKOSA-N 2 1 307.438 2.501 20 0 DFADMP CCOC(=O)CCCCC[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000614779682 399267129 /nfs/dbraw/zinc/26/71/29/399267129.db2.gz CRKPPRJWYZIQRJ-OAHLLOKOSA-N 2 1 307.438 2.501 20 0 DFADMP CCCCOc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000623086700 399324826 /nfs/dbraw/zinc/32/48/26/399324826.db2.gz FUGJNHHYVUUSIQ-UHFFFAOYSA-N 2 1 317.433 2.940 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)C1CCC(C2CCC2)CC1 ZINC000623086678 399323735 /nfs/dbraw/zinc/32/37/35/399323735.db2.gz DIPAHTPREQLYPS-UHFFFAOYSA-N 2 1 307.526 2.915 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421820935 296277005 /nfs/dbraw/zinc/27/70/05/296277005.db2.gz ONEQGPHTPWXGMP-ZDUSSCGKSA-N 2 1 314.857 2.968 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1OC ZINC000421820935 296277007 /nfs/dbraw/zinc/27/70/07/296277007.db2.gz ONEQGPHTPWXGMP-ZDUSSCGKSA-N 2 1 314.857 2.968 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@@H+]2C)cc1 ZINC000284685721 218133489 /nfs/dbraw/zinc/13/34/89/218133489.db2.gz HFCVBDZTBFYTSO-GOEBONIOSA-N 2 1 324.490 2.615 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+]2C)cc1 ZINC000284685721 218133492 /nfs/dbraw/zinc/13/34/92/218133492.db2.gz HFCVBDZTBFYTSO-GOEBONIOSA-N 2 1 324.490 2.615 20 0 DFADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347516 399367911 /nfs/dbraw/zinc/36/79/11/399367911.db2.gz CMHIFSIACOYSMF-RDJZCZTQSA-N 2 1 301.478 2.900 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347515 399368136 /nfs/dbraw/zinc/36/81/36/399368136.db2.gz CMHIFSIACOYSMF-NVXWUHKLSA-N 2 1 301.478 2.900 20 0 DFADMP C[N@@H+](CCCN[C@@H]1CC[NH+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623343377 399366991 /nfs/dbraw/zinc/36/69/91/399366991.db2.gz PCYNOFPHSFRLHO-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623343377 399366992 /nfs/dbraw/zinc/36/69/92/399366992.db2.gz PCYNOFPHSFRLHO-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623343377 399366994 /nfs/dbraw/zinc/36/69/94/399366994.db2.gz PCYNOFPHSFRLHO-GOSISDBHSA-N 2 1 303.494 2.971 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC1(C)C ZINC000623353451 399369370 /nfs/dbraw/zinc/36/93/70/399369370.db2.gz LWEGPUVJHVSBNT-INIZCTEOSA-N 2 1 302.466 2.644 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)CC1(C)C ZINC000623353451 399369377 /nfs/dbraw/zinc/36/93/77/399369377.db2.gz LWEGPUVJHVSBNT-INIZCTEOSA-N 2 1 302.466 2.644 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1(C)C ZINC000623356481 399371037 /nfs/dbraw/zinc/37/10/37/399371037.db2.gz SJPGTUOZSVTBBX-SJORKVTESA-N 2 1 301.478 2.975 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3)C2)CC1(C)C ZINC000623356479 399371113 /nfs/dbraw/zinc/37/11/13/399371113.db2.gz SJPGTUOZSVTBBX-IAGOWNOFSA-N 2 1 301.478 2.975 20 0 DFADMP CC(C)CSCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601966116 399370770 /nfs/dbraw/zinc/37/07/70/399370770.db2.gz PUOWCNJCGGQZGP-GOSISDBHSA-N 2 1 322.518 2.602 20 0 DFADMP CC(C)CSCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601966116 399370773 /nfs/dbraw/zinc/37/07/73/399370773.db2.gz PUOWCNJCGGQZGP-GOSISDBHSA-N 2 1 322.518 2.602 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccncc3)CC2)CC1(C)C ZINC000623363032 399372581 /nfs/dbraw/zinc/37/25/81/399372581.db2.gz VKOGWTSQESPCBH-GOSISDBHSA-N 2 1 316.493 2.508 20 0 DFADMP C[NH+](C)CCOc1cccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623361613 399372602 /nfs/dbraw/zinc/37/26/02/399372602.db2.gz GSHPWRINZGAUMM-QGZVFWFLSA-N 2 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623361613 399372603 /nfs/dbraw/zinc/37/26/03/399372603.db2.gz GSHPWRINZGAUMM-QGZVFWFLSA-N 3 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623361613 399372604 /nfs/dbraw/zinc/37/26/04/399372604.db2.gz GSHPWRINZGAUMM-QGZVFWFLSA-N 3 1 319.493 2.589 20 0 DFADMP C[NH+](C)C[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370437 399374457 /nfs/dbraw/zinc/37/44/57/399374457.db2.gz KAVVDHMBBCFDEJ-QZTJIDSGSA-N 2 1 303.494 2.622 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1(C)C ZINC000623380590 399376444 /nfs/dbraw/zinc/37/64/44/399376444.db2.gz GDKCPTSNIGGIDC-QGZVFWFLSA-N 2 1 315.461 2.541 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1(C)C ZINC000623380590 399376446 /nfs/dbraw/zinc/37/64/46/399376446.db2.gz GDKCPTSNIGGIDC-QGZVFWFLSA-N 2 1 315.461 2.541 20 0 DFADMP C[NH+](C)CCOc1ccccc1CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623385589 399377491 /nfs/dbraw/zinc/37/74/91/399377491.db2.gz SSFOKYIDGFTKCK-KRWDZBQOSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c(O)cccc32)CCCO1 ZINC000285154474 218311665 /nfs/dbraw/zinc/31/16/65/218311665.db2.gz MJRQNIMVDFBCBR-CRAIPNDOSA-N 2 1 318.461 2.860 20 0 DFADMP COc1cccc(O[C@@H](C)C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623432146 399388009 /nfs/dbraw/zinc/38/80/09/399388009.db2.gz GIRLRNJVUNTHNT-GJZGRUSLSA-N 2 1 306.450 2.925 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@@H]1C[NH3+] ZINC000422560990 296312730 /nfs/dbraw/zinc/31/27/30/296312730.db2.gz IIFVOGOPFNIHRP-RKVPGOIHSA-N 2 1 302.462 2.859 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397519 /nfs/dbraw/zinc/39/75/19/399397519.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397521 /nfs/dbraw/zinc/39/75/21/399397521.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397523 /nfs/dbraw/zinc/39/75/23/399397523.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 2 1 301.478 2.894 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397525 /nfs/dbraw/zinc/39/75/25/399397525.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 2 1 301.478 2.894 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@@H]1c1ccccc1 ZINC000623475526 399397528 /nfs/dbraw/zinc/39/75/28/399397528.db2.gz PZAZQMUGPCOEAE-SQNIBIBYSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccccc1C(F)(F)F ZINC000268887500 207056918 /nfs/dbraw/zinc/05/69/18/207056918.db2.gz ZJAYHZNCUQYKFA-OLZOCXBDSA-N 2 1 316.367 2.813 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc(OC)c1OC ZINC000268879276 207048848 /nfs/dbraw/zinc/04/88/48/207048848.db2.gz FFGUFQNTDIUNGO-OLZOCXBDSA-N 2 1 310.438 2.703 20 0 DFADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895305 207065540 /nfs/dbraw/zinc/06/55/40/207065540.db2.gz ZUVPCYTYIWSCPY-FXAWDEMLSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895305 207065545 /nfs/dbraw/zinc/06/55/45/207065545.db2.gz ZUVPCYTYIWSCPY-FXAWDEMLSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895305 207065548 /nfs/dbraw/zinc/06/55/48/207065548.db2.gz ZUVPCYTYIWSCPY-FXAWDEMLSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCOCCc2ccccc2)C[C@@H]1C[NH3+] ZINC000422625263 296316569 /nfs/dbraw/zinc/31/65/69/296316569.db2.gz BBZZKSNSMNVIBY-LMMKCTJWSA-N 2 1 304.478 2.941 20 0 DFADMP Cn1nc(CC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623495622 399401726 /nfs/dbraw/zinc/40/17/26/399401726.db2.gz KNKYGYMVZYFCNW-AWEZNQCLSA-N 2 1 300.450 2.578 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@@H+](C)C1CCCCC1 ZINC000422700389 296318407 /nfs/dbraw/zinc/31/84/07/296318407.db2.gz GVROYHZSDNMBTL-APWZRJJASA-N 2 1 303.494 2.799 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OC(F)F ZINC000422689192 296317809 /nfs/dbraw/zinc/31/78/09/296317809.db2.gz DWQJOUAHIFKLBQ-NEPJUHHUSA-N 2 1 300.349 2.656 20 0 DFADMP CC[C@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422687312 296317947 /nfs/dbraw/zinc/31/79/47/296317947.db2.gz BLSUVIORONYOGH-RBUKOAKNSA-N 2 1 316.493 2.556 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268922003 207089118 /nfs/dbraw/zinc/08/91/18/207089118.db2.gz XBJSOXOPGOYOCB-QFHJOOASSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CC2 ZINC000623505798 399404571 /nfs/dbraw/zinc/40/45/71/399404571.db2.gz QOOCDIUFIBMSCC-CVEARBPZSA-N 2 1 304.482 2.784 20 0 DFADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000623506790 399404162 /nfs/dbraw/zinc/40/41/62/399404162.db2.gz HXUSZMRSQNYLOT-CYBMUJFWSA-N 2 1 309.420 2.723 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)CC1(C)C ZINC000623513844 399405763 /nfs/dbraw/zinc/40/57/63/399405763.db2.gz OZGVIYLDSNNDSL-AWEZNQCLSA-N 2 1 308.495 2.574 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623517883 399407286 /nfs/dbraw/zinc/40/72/86/399407286.db2.gz XBQYWYGUZMLQCB-AEFFLSMTSA-N 2 1 319.493 2.760 20 0 DFADMP Cc1ccc2nc(C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)cn2c1 ZINC000422712683 296320320 /nfs/dbraw/zinc/32/03/20/296320320.db2.gz ISLNDRXMQCWMCV-CYBMUJFWSA-N 2 1 309.417 2.656 20 0 DFADMP CC[C@@H](NC[C@@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422714531 296320505 /nfs/dbraw/zinc/32/05/05/296320505.db2.gz LAEUDFQBQBFEIS-LZQZEXGQSA-N 2 1 301.478 2.553 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422712949 296319983 /nfs/dbraw/zinc/31/99/83/296319983.db2.gz JCMULQLAKCVPQK-MJGOQNOKSA-N 3 1 303.494 2.658 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CCN(CCc2ccccc2)C1 ZINC000422712949 296319984 /nfs/dbraw/zinc/31/99/84/296319984.db2.gz JCMULQLAKCVPQK-MJGOQNOKSA-N 2 1 303.494 2.658 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CCc3[nH]cnc3C2)ncc1Br ZINC000623528020 399408851 /nfs/dbraw/zinc/40/88/51/399408851.db2.gz UQVOXROJBMMLBB-JTQLQIEISA-N 2 1 321.222 2.523 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCO[C@H](c3ccncc3)C2)CC1(C)C ZINC000623540007 399411540 /nfs/dbraw/zinc/41/15/40/399411540.db2.gz GWLCTPMFIWXKEG-ULQDDVLXSA-N 2 1 303.450 2.764 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000268962832 207125809 /nfs/dbraw/zinc/12/58/09/207125809.db2.gz GBNFZUKTSJTCKW-SJORKVTESA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000268962832 207125813 /nfs/dbraw/zinc/12/58/13/207125813.db2.gz GBNFZUKTSJTCKW-SJORKVTESA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000268962832 207125817 /nfs/dbraw/zinc/12/58/17/207125817.db2.gz GBNFZUKTSJTCKW-SJORKVTESA-N 2 1 318.461 2.880 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)N1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422721863 296321783 /nfs/dbraw/zinc/32/17/83/296321783.db2.gz WFBMQIPPPOAGIJ-LSDHHAIUSA-N 2 1 310.445 2.592 20 0 DFADMP C[C@H](N[C@H](C[N@H+]1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725376 296322032 /nfs/dbraw/zinc/32/20/32/296322032.db2.gz BFEBMHKJFMPCRT-HNAYVOBHSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@H]([NH2+][C@H](CN1CCc2ccccc2C1)C(C)(C)C)C1C[NH2+]C1 ZINC000422725376 296322034 /nfs/dbraw/zinc/32/20/34/296322034.db2.gz BFEBMHKJFMPCRT-HNAYVOBHSA-N 2 1 315.505 2.657 20 0 DFADMP CCn1nncc1CNCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000623583887 399422290 /nfs/dbraw/zinc/42/22/90/399422290.db2.gz ROTHTMXHGJOYIW-UHFFFAOYSA-N 2 1 315.465 2.546 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732423 296323345 /nfs/dbraw/zinc/32/33/45/296323345.db2.gz PULIBTGBJWZEKA-MJGOQNOKSA-N 3 1 317.477 2.564 20 0 DFADMP COc1ccc([C@H](NC[C@@H](C)[N@@H+](C)C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422732690 296323423 /nfs/dbraw/zinc/32/34/23/296323423.db2.gz AGZUIQWGJOUJIN-ZMYBRWDISA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCCC[NH+](C)C1 ZINC000623656543 399436478 /nfs/dbraw/zinc/43/64/78/399436478.db2.gz WNKPQWDWXVMHEJ-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCCC[N@H+](C)C1 ZINC000623656543 399436482 /nfs/dbraw/zinc/43/64/82/399436482.db2.gz WNKPQWDWXVMHEJ-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC[C@H]1CCCC[N@@H+](C)C1 ZINC000623656543 399436486 /nfs/dbraw/zinc/43/64/86/399436486.db2.gz WNKPQWDWXVMHEJ-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000623656543 399436490 /nfs/dbraw/zinc/43/64/90/399436490.db2.gz WNKPQWDWXVMHEJ-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623656543 399436492 /nfs/dbraw/zinc/43/64/92/399436492.db2.gz WNKPQWDWXVMHEJ-RLLQIKCJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000623656056 399436656 /nfs/dbraw/zinc/43/66/56/399436656.db2.gz MABHPTUPLOMNQI-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000623656056 399436658 /nfs/dbraw/zinc/43/66/58/399436658.db2.gz MABHPTUPLOMNQI-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CCCC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000623656056 399436662 /nfs/dbraw/zinc/43/66/62/399436662.db2.gz MABHPTUPLOMNQI-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000623656056 399436666 /nfs/dbraw/zinc/43/66/66/399436666.db2.gz MABHPTUPLOMNQI-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000623656056 399436670 /nfs/dbraw/zinc/43/66/70/399436670.db2.gz MABHPTUPLOMNQI-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000623657309 399436983 /nfs/dbraw/zinc/43/69/83/399436983.db2.gz NJUILHPZIUNSPS-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000623657309 399436985 /nfs/dbraw/zinc/43/69/85/399436985.db2.gz NJUILHPZIUNSPS-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000269051820 207200568 /nfs/dbraw/zinc/20/05/68/207200568.db2.gz VWVGRGFMGWWZPX-PKOBYXMFSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCC[NH+](C)C ZINC000269051820 207200573 /nfs/dbraw/zinc/20/05/73/207200573.db2.gz VWVGRGFMGWWZPX-PKOBYXMFSA-N 3 1 303.494 2.828 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137067 207267340 /nfs/dbraw/zinc/26/73/40/207267340.db2.gz UHXCYVJMQQWIHV-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137067 207267343 /nfs/dbraw/zinc/26/73/43/207267343.db2.gz UHXCYVJMQQWIHV-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137067 207267346 /nfs/dbraw/zinc/26/73/46/207267346.db2.gz UHXCYVJMQQWIHV-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623809248 399470320 /nfs/dbraw/zinc/47/03/20/399470320.db2.gz XULWGRWSFFEPGY-BZSNNMDCSA-N 2 1 300.446 2.951 20 0 DFADMP CO[C@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623809248 399470322 /nfs/dbraw/zinc/47/03/22/399470322.db2.gz XULWGRWSFFEPGY-BZSNNMDCSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422734371 296323549 /nfs/dbraw/zinc/32/35/49/296323549.db2.gz CQNYNUHPGGPHCA-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)[N@@H+](C)Cc1ccccc1 ZINC000269217748 207338553 /nfs/dbraw/zinc/33/85/53/207338553.db2.gz QACYDJZCKAFDEO-OAHLLOKOSA-N 2 1 323.440 2.791 20 0 DFADMP C[NH+]1CCC(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000422742246 296324561 /nfs/dbraw/zinc/32/45/61/296324561.db2.gz PUEDPSQZTYWLHA-RTBURBONSA-N 3 1 301.478 2.801 20 0 DFADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000422747198 296325531 /nfs/dbraw/zinc/32/55/31/296325531.db2.gz PLYHFWKKZWPQFY-AEFFLSMTSA-N 2 1 301.478 2.944 20 0 DFADMP CC[C@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747151 296325748 /nfs/dbraw/zinc/32/57/48/296325748.db2.gz YAUIVVAGUWOURO-QYZOEREBSA-N 2 1 301.478 2.771 20 0 DFADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)CC[NH2+]2)cc1 ZINC000422748720 296325888 /nfs/dbraw/zinc/32/58/88/296325888.db2.gz VUGCPDMWJOEGAZ-DLBZAZTESA-N 2 1 310.397 2.998 20 0 DFADMP COC[C@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422745898 296325292 /nfs/dbraw/zinc/32/52/92/296325292.db2.gz NAIQFPOZFJXARL-APWZRJJASA-N 3 1 319.493 2.556 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633104 296326732 /nfs/dbraw/zinc/32/67/32/296326732.db2.gz UVFHYBGRLHPFGT-ZHALLVOQSA-N 2 1 307.526 2.913 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])N2CCCC2)c1 ZINC000422751079 296326473 /nfs/dbraw/zinc/32/64/73/296326473.db2.gz CCHKZRXMGJJIRR-UHOSZYNNSA-N 2 1 317.477 2.549 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])N2CCCC2)c1 ZINC000422751080 296326622 /nfs/dbraw/zinc/32/66/22/296326622.db2.gz CCHKZRXMGJJIRR-WDSOQIARSA-N 2 1 317.477 2.549 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000422751890 296326663 /nfs/dbraw/zinc/32/66/63/296326663.db2.gz DEPQUAGYJBMVEF-IOMROCGXSA-N 2 1 323.484 2.809 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[NH3+])N2CCCCC2)cc1 ZINC000422755441 296327416 /nfs/dbraw/zinc/32/74/16/296327416.db2.gz HSRVYHJGYIUCDT-QRVBRYPASA-N 2 1 317.477 2.692 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422760014 296327977 /nfs/dbraw/zinc/32/79/77/296327977.db2.gz LKAQVLAVVWGNFV-BXWFABGCSA-N 2 1 317.477 2.784 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000422756840 296327724 /nfs/dbraw/zinc/32/77/24/296327724.db2.gz CMGAEQGCBIRUQN-GJZGRUSLSA-N 2 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000422756840 296327725 /nfs/dbraw/zinc/32/77/25/296327725.db2.gz CMGAEQGCBIRUQN-GJZGRUSLSA-N 3 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000422756840 296327726 /nfs/dbraw/zinc/32/77/26/296327726.db2.gz CMGAEQGCBIRUQN-GJZGRUSLSA-N 3 1 304.482 2.764 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccccc1F ZINC000422766437 296329490 /nfs/dbraw/zinc/32/94/90/296329490.db2.gz XIOKSZKVHHCOOV-PBHICJAKSA-N 2 1 302.393 2.753 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCCN(c2cccc(OC)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766083 296329499 /nfs/dbraw/zinc/32/94/99/296329499.db2.gz RLJQMOBAPVHKGW-SNRMKQJTSA-N 2 1 317.477 2.784 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766036 296329641 /nfs/dbraw/zinc/32/96/41/296329641.db2.gz RIBYBHBAZXTDTL-SZMVWBNQSA-N 2 1 305.441 2.915 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])N2CCCC2)cc1 ZINC000422767146 296329812 /nfs/dbraw/zinc/32/98/12/296329812.db2.gz YEOXJIRJTLCSJO-NEWSRXKRSA-N 2 1 317.477 2.549 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422778412 296331462 /nfs/dbraw/zinc/33/14/62/296331462.db2.gz HKLICRUAPYSASD-RCCFBDPRSA-N 3 1 304.482 2.872 20 0 DFADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@H]2CCO[C@@H]21 ZINC000422787597 296333030 /nfs/dbraw/zinc/33/30/30/296333030.db2.gz RSSCIDNEOBOYQP-SFFUCWETSA-N 2 1 300.446 2.883 20 0 DFADMP [NH3+]CC1CCC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CC1 ZINC000422804661 296336387 /nfs/dbraw/zinc/33/63/87/296336387.db2.gz IBNOTKQOTIXZSM-UHFFFAOYSA-N 3 1 301.478 2.542 20 0 DFADMP [NH3+]CC1CCC([NH2+]CCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000422804661 296336388 /nfs/dbraw/zinc/33/63/88/296336388.db2.gz IBNOTKQOTIXZSM-UHFFFAOYSA-N 3 1 301.478 2.542 20 0 DFADMP CC1CC[NH+](Cc2ccc(CNC3CC[NH2+]CC3)cc2)CC1 ZINC000422809242 296336958 /nfs/dbraw/zinc/33/69/58/296336958.db2.gz RNHSFMALTVHSJN-UHFFFAOYSA-N 2 1 301.478 2.760 20 0 DFADMP Cc1csc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422810594 296337224 /nfs/dbraw/zinc/33/72/24/296337224.db2.gz NVDPHTUFIZNSGU-PBHICJAKSA-N 2 1 315.442 2.797 20 0 DFADMP CC[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422807019 296336584 /nfs/dbraw/zinc/33/65/84/296336584.db2.gz LOXRJYYPRCDPFI-PMACEKPBSA-N 2 1 315.505 2.945 20 0 DFADMP CN(c1nc2ccccc2n2cncc12)[C@H]1CC[N@H+](C2CC2)C1 ZINC000623963262 399504490 /nfs/dbraw/zinc/50/44/90/399504490.db2.gz BXLANCDOZNGMJQ-AWEZNQCLSA-N 2 1 307.401 2.555 20 0 DFADMP CC[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422814132 296338035 /nfs/dbraw/zinc/33/80/35/296338035.db2.gz ZQORTVOEWWXQQT-UHOSZYNNSA-N 2 1 301.478 2.540 20 0 DFADMP CC[C@H](CN[C@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422814132 296338036 /nfs/dbraw/zinc/33/80/36/296338036.db2.gz ZQORTVOEWWXQQT-UHOSZYNNSA-N 2 1 301.478 2.540 20 0 DFADMP CCc1ccc([C@@H](CC(C)C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000623960603 399505045 /nfs/dbraw/zinc/50/50/45/399505045.db2.gz BDVAWTMASJKTIX-RTBURBONSA-N 2 1 304.478 2.992 20 0 DFADMP CCc1ccc([C@@H](CC(C)C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000623960603 399505051 /nfs/dbraw/zinc/50/50/51/399505051.db2.gz BDVAWTMASJKTIX-RTBURBONSA-N 2 1 304.478 2.992 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+][C@H](c1nccn1C)c1ccccc1F ZINC000422810806 296337390 /nfs/dbraw/zinc/33/73/90/296337390.db2.gz NWGYFZHCSJAJMD-BBRMVZONSA-N 2 1 304.413 2.756 20 0 DFADMP CC[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422812580 296337476 /nfs/dbraw/zinc/33/74/76/296337476.db2.gz WOVUDKOBNYWXLM-RLLQIKCJSA-N 2 1 315.505 2.930 20 0 DFADMP CC[C@H](CN[C@H]1CCCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422812580 296337478 /nfs/dbraw/zinc/33/74/78/296337478.db2.gz WOVUDKOBNYWXLM-RLLQIKCJSA-N 2 1 315.505 2.930 20 0 DFADMP C[C@@H](CCN[C@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818513 296338953 /nfs/dbraw/zinc/33/89/53/296338953.db2.gz GOMMXGSQLLFNDW-AOIWGVFYSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422818513 296338954 /nfs/dbraw/zinc/33/89/54/296338954.db2.gz GOMMXGSQLLFNDW-AOIWGVFYSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@@H](CC[NH2+][C@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818513 296338956 /nfs/dbraw/zinc/33/89/56/296338956.db2.gz GOMMXGSQLLFNDW-AOIWGVFYSA-N 3 1 303.494 2.875 20 0 DFADMP CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422821493 296339323 /nfs/dbraw/zinc/33/93/23/296339323.db2.gz WORKFCAIMJWTIR-MOPGFXCFSA-N 2 1 312.461 2.925 20 0 DFADMP CC[C@@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846259 399507587 /nfs/dbraw/zinc/50/75/87/399507587.db2.gz XDALDECUCXIOJU-CVEARBPZSA-N 2 1 319.840 2.788 20 0 DFADMP c1csc(C[N@H+]2CCC[C@H](CN[C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829923 296340803 /nfs/dbraw/zinc/34/08/03/296340803.db2.gz CHLFDGWEEMZUNL-CVEARBPZSA-N 2 1 307.507 2.692 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@H](CN[C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829923 296340804 /nfs/dbraw/zinc/34/08/04/296340804.db2.gz CHLFDGWEEMZUNL-CVEARBPZSA-N 2 1 307.507 2.692 20 0 DFADMP c1csc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829923 296340806 /nfs/dbraw/zinc/34/08/06/296340806.db2.gz CHLFDGWEEMZUNL-CVEARBPZSA-N 3 1 307.507 2.692 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C2)c1 ZINC000422829923 296340808 /nfs/dbraw/zinc/34/08/08/296340808.db2.gz CHLFDGWEEMZUNL-CVEARBPZSA-N 3 1 307.507 2.692 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422839512 296342291 /nfs/dbraw/zinc/34/22/91/296342291.db2.gz QJAOJKOVWSWLHR-RYRKJORJSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422839512 296342294 /nfs/dbraw/zinc/34/22/94/296342294.db2.gz QJAOJKOVWSWLHR-RYRKJORJSA-N 3 1 321.534 2.938 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000422844085 296343318 /nfs/dbraw/zinc/34/33/18/296343318.db2.gz KTUPTJDIHXDOAR-CVEARBPZSA-N 2 1 311.539 2.598 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000347071426 285012428 /nfs/dbraw/zinc/01/24/28/285012428.db2.gz QCWQVWPEENVJTD-NEPJUHHUSA-N 2 1 320.387 2.914 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000347071426 285012429 /nfs/dbraw/zinc/01/24/29/285012429.db2.gz QCWQVWPEENVJTD-NEPJUHHUSA-N 2 1 320.387 2.914 20 0 DFADMP Brc1cncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000252836668 532978379 /nfs/dbraw/zinc/97/83/79/532978379.db2.gz XHGSIZVPFWPRJQ-KGLIPLIRSA-N 2 1 310.239 2.561 20 0 DFADMP Brc1cncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000252836668 532978384 /nfs/dbraw/zinc/97/83/84/532978384.db2.gz XHGSIZVPFWPRJQ-KGLIPLIRSA-N 2 1 310.239 2.561 20 0 DFADMP CC[N@@H+](CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C(C)C ZINC000422883663 296350136 /nfs/dbraw/zinc/35/01/36/296350136.db2.gz VIUGHIIGNPOPPT-OALUTQOASA-N 2 1 319.493 2.808 20 0 DFADMP CC[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879652 296349511 /nfs/dbraw/zinc/34/95/11/296349511.db2.gz VVJPCLYEIAVLRK-NQYYFHDYSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422880773 296349692 /nfs/dbraw/zinc/34/96/92/296349692.db2.gz MRYWXTZJKUQYRK-HZPDHXFCSA-N 3 1 301.478 2.759 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422880773 296349693 /nfs/dbraw/zinc/34/96/93/296349693.db2.gz MRYWXTZJKUQYRK-HZPDHXFCSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422880773 296349695 /nfs/dbraw/zinc/34/96/95/296349695.db2.gz MRYWXTZJKUQYRK-HZPDHXFCSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422886912 296350991 /nfs/dbraw/zinc/35/09/91/296350991.db2.gz JXTSWTJYQZGEDB-DSJDWBEOSA-N 2 1 315.505 2.873 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422886789 296351017 /nfs/dbraw/zinc/35/10/17/296351017.db2.gz XRWNYNKTBLXXQO-JXFKEZNVSA-N 2 1 320.440 2.920 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422886839 296350844 /nfs/dbraw/zinc/35/08/44/296350844.db2.gz JTEASGNFQJQNNW-NTDBWNAOSA-N 3 1 303.494 2.860 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422886839 296350846 /nfs/dbraw/zinc/35/08/46/296350846.db2.gz JTEASGNFQJQNNW-NTDBWNAOSA-N 2 1 303.494 2.860 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901411 296352972 /nfs/dbraw/zinc/35/29/72/296352972.db2.gz BZYFBDBVQGFCDI-VDZJLULYSA-N 2 1 317.477 2.562 20 0 DFADMP CC[C@H](C)N(C)CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901411 296352973 /nfs/dbraw/zinc/35/29/73/296352973.db2.gz BZYFBDBVQGFCDI-VDZJLULYSA-N 2 1 317.477 2.562 20 0 DFADMP COc1cccc(Oc2ccc(C[NH2+][C@@H](C)C3C[NH2+]C3)cn2)c1 ZINC000422894929 296352136 /nfs/dbraw/zinc/35/21/36/296352136.db2.gz DMTDNHQKXZXDEZ-ZDUSSCGKSA-N 2 1 313.401 2.580 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000422905660 296354209 /nfs/dbraw/zinc/35/42/09/296354209.db2.gz IOFHFJZVUDBQKA-PMUMKWKESA-N 2 1 323.431 2.659 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCCCC[C@@H]3[NH3+])cn2)n1 ZINC000422905001 296353601 /nfs/dbraw/zinc/35/36/01/296353601.db2.gz YNSBUKDDDFYWAP-DLBZAZTESA-N 2 1 313.449 2.634 20 0 DFADMP CC[C@@H]([NH2+]CCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]1 ZINC000422914908 296355330 /nfs/dbraw/zinc/35/53/30/296355330.db2.gz WNPAJYUHMTYXPP-CABCVRRESA-N 2 1 316.474 2.868 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422917892 296355755 /nfs/dbraw/zinc/35/57/55/296355755.db2.gz GAAVPBPSKWOPKO-GWCFXTLKSA-N 2 1 302.340 2.905 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917739 296355766 /nfs/dbraw/zinc/35/57/66/296355766.db2.gz GSCNJXYQOKQZJS-GHMZBOCLSA-N 2 1 323.746 2.602 20 0 DFADMP CC(C)[C@@H](CN[C@H](C)C[C@H](C)[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422925605 296356026 /nfs/dbraw/zinc/35/60/26/296356026.db2.gz BIPYLAXEGWVCAA-FRQCXROJSA-N 2 1 303.494 2.785 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422925605 296356027 /nfs/dbraw/zinc/35/60/27/296356027.db2.gz BIPYLAXEGWVCAA-FRQCXROJSA-N 2 1 303.494 2.785 20 0 DFADMP CC(C)[C@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422925603 296356099 /nfs/dbraw/zinc/35/60/99/296356099.db2.gz BIPYLAXEGWVCAA-BXWFABGCSA-N 2 1 303.494 2.785 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422925603 296356101 /nfs/dbraw/zinc/35/61/01/296356101.db2.gz BIPYLAXEGWVCAA-BXWFABGCSA-N 2 1 303.494 2.785 20 0 DFADMP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422912732 296354881 /nfs/dbraw/zinc/35/48/81/296354881.db2.gz WZMAQTXYZOGNPF-CFVMTHIKSA-N 2 1 323.868 2.657 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1nc(-c2ccncc2)cs1)[C@@H]1CC[NH2+]C1 ZINC000422913403 296355007 /nfs/dbraw/zinc/35/50/07/296355007.db2.gz PXTZPTUTXAWOEB-MBNYWOFBSA-N 2 1 302.447 2.854 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc(-c2ccncc2)cs1 ZINC000422910955 296355074 /nfs/dbraw/zinc/35/50/74/296355074.db2.gz JPTGPJSDSUGGBZ-TZMCWYRMSA-N 2 1 302.447 2.998 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(Cl)cn1 ZINC000422928320 296356589 /nfs/dbraw/zinc/35/65/89/296356589.db2.gz KAJVNMCYTIYQAQ-XJKSGUPXSA-N 2 1 319.836 2.662 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1cccc(F)c1 ZINC000422933578 296357074 /nfs/dbraw/zinc/35/70/74/296357074.db2.gz BISUSQYJXNDFCD-KDOFPFPSSA-N 2 1 302.393 2.753 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000422940118 296358365 /nfs/dbraw/zinc/35/83/65/296358365.db2.gz IRMSHBJWSSYCPM-ZACQAIPSSA-N 3 1 319.493 2.513 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000422940118 296358368 /nfs/dbraw/zinc/35/83/68/296358368.db2.gz IRMSHBJWSSYCPM-ZACQAIPSSA-N 2 1 319.493 2.513 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422943964 296358556 /nfs/dbraw/zinc/35/85/56/296358556.db2.gz LTCZBZMIVULPMN-CRAIPNDOSA-N 2 1 324.472 2.968 20 0 DFADMP CC(C)[C@@H](CN[C@@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422947736 296359252 /nfs/dbraw/zinc/35/92/52/296359252.db2.gz YSJOBVSAFFPOLF-FFZOFVMBSA-N 2 1 315.505 2.799 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1Cl ZINC000631888612 399519749 /nfs/dbraw/zinc/51/97/49/399519749.db2.gz XWBISWSFWFAQAA-BBRMVZONSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1Cl ZINC000631888612 399519752 /nfs/dbraw/zinc/51/97/52/399519752.db2.gz XWBISWSFWFAQAA-BBRMVZONSA-N 2 1 321.852 2.743 20 0 DFADMP CSc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887588 399519990 /nfs/dbraw/zinc/51/99/90/399519990.db2.gz PEFXATZKAATOIR-PBHICJAKSA-N 2 1 306.475 2.861 20 0 DFADMP COc1cccc(SCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889825 399520021 /nfs/dbraw/zinc/52/00/21/399520021.db2.gz KAYAAKMYWWMUTR-PBHICJAKSA-N 2 1 306.475 2.861 20 0 DFADMP C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CC[NH2+]C1 ZINC000422956293 296360724 /nfs/dbraw/zinc/36/07/24/296360724.db2.gz PDAMFQHKXJSZNW-KYHPRHEASA-N 2 1 317.477 2.706 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422958827 296361077 /nfs/dbraw/zinc/36/10/77/296361077.db2.gz QCAPOBURMJBOFF-UGSOOPFHSA-N 2 1 320.383 2.892 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422961838 296361343 /nfs/dbraw/zinc/36/13/43/296361343.db2.gz BEFFKDZBTUMRRV-AAEUAGOBSA-N 2 1 318.387 2.839 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCC1)c1c[nH+]ccc1N ZINC000422967127 296362687 /nfs/dbraw/zinc/36/26/87/296362687.db2.gz SLQBRMDYCARGDQ-CZUORRHYSA-N 2 1 300.406 2.575 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]C2CC[NH2+]CC2)C[N@H+]1Cc1ccccc1 ZINC000422997478 296365233 /nfs/dbraw/zinc/36/52/33/296365233.db2.gz BJKNLJGIQWORTJ-WMZOPIPTSA-N 3 1 301.478 2.629 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc([C@H]2CCCO2)s1 ZINC000270186964 208250898 /nfs/dbraw/zinc/25/08/98/208250898.db2.gz GUSRQRCMNUMAGH-CQSZACIVSA-N 2 1 306.435 2.679 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423009714 296367235 /nfs/dbraw/zinc/36/72/35/296367235.db2.gz DMKCNYRJLJGPDE-SJWGOKEGSA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423009714 296367236 /nfs/dbraw/zinc/36/72/36/296367236.db2.gz DMKCNYRJLJGPDE-SJWGOKEGSA-N 2 1 307.869 2.815 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H](c1ccccc1Cl)[NH+](C)C ZINC000347606106 285089119 /nfs/dbraw/zinc/08/91/19/285089119.db2.gz BPDNRNXIFHPWOX-CABCVRRESA-N 2 1 311.857 2.576 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2CNCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423006554 296366740 /nfs/dbraw/zinc/36/67/40/296366740.db2.gz VTDGRWSYWSYCQU-BWPNAZKDSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423006554 296366741 /nfs/dbraw/zinc/36/67/41/296366741.db2.gz VTDGRWSYWSYCQU-BWPNAZKDSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423006554 296366742 /nfs/dbraw/zinc/36/67/42/296366742.db2.gz VTDGRWSYWSYCQU-BWPNAZKDSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000423006776 296366827 /nfs/dbraw/zinc/36/68/27/296366827.db2.gz WIDPQDBNBPTAFX-XEYPJELSSA-N 3 1 315.505 2.875 20 0 DFADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n1 ZINC000423014472 296367799 /nfs/dbraw/zinc/36/77/99/296367799.db2.gz PEVYUJYKBLUIPX-GVDBMIGSSA-N 2 1 302.466 2.548 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)c1ccccc1 ZINC000423010626 296367361 /nfs/dbraw/zinc/36/73/61/296367361.db2.gz YBYSWVSOXLHNKV-UFYCRDLUSA-N 2 1 310.441 2.845 20 0 DFADMP COc1ccc([C@@H]([NH2+]CC2(C)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423023913 296369234 /nfs/dbraw/zinc/36/92/34/296369234.db2.gz KSVDDUQMQRCINF-QZTJIDSGSA-N 2 1 318.461 2.895 20 0 DFADMP C[C@@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)[C@H]1CCC[NH2+]1 ZINC000423031452 296369880 /nfs/dbraw/zinc/36/98/80/296369880.db2.gz KVEMLSGQMZDDPJ-IUODEOHRSA-N 2 1 318.396 2.538 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423039683 296370740 /nfs/dbraw/zinc/37/07/40/296370740.db2.gz QYDIGDSHWHLMEL-CQSZACIVSA-N 3 1 304.482 2.621 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423046099 296371587 /nfs/dbraw/zinc/37/15/87/296371587.db2.gz DCXWACNAPIUKHD-WMZOPIPTSA-N 2 1 302.462 2.961 20 0 DFADMP FC(F)c1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423047918 296371656 /nfs/dbraw/zinc/37/16/56/296371656.db2.gz HSFIRTZRJWNEFR-XHSDSOJGSA-N 2 1 310.388 2.871 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000347634913 285105037 /nfs/dbraw/zinc/10/50/37/285105037.db2.gz JQNCTOAIPDBSSV-UHFFFAOYSA-N 2 1 322.522 2.513 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC[C@@H]2C[NH+]2CCCCC2)s1 ZINC000347638775 285107129 /nfs/dbraw/zinc/10/71/29/285107129.db2.gz NOCUCORRDCJBJP-OAHLLOKOSA-N 2 1 322.522 2.655 20 0 DFADMP C[C@@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059355 296373150 /nfs/dbraw/zinc/37/31/50/296373150.db2.gz FKIDQLCDZVIJQG-ATZDWAIDSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423066569 296374317 /nfs/dbraw/zinc/37/43/17/296374317.db2.gz XDXHBBQNLHIJDC-LSTHTHJFSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000423066569 296374318 /nfs/dbraw/zinc/37/43/18/296374318.db2.gz XDXHBBQNLHIJDC-LSTHTHJFSA-N 2 1 315.505 2.875 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1 ZINC000423067132 296374397 /nfs/dbraw/zinc/37/43/97/296374397.db2.gz YOCANYLBCWKOOD-GHMZBOCLSA-N 2 1 313.239 2.545 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423075468 296375314 /nfs/dbraw/zinc/37/53/14/296375314.db2.gz WWVFFXCDMOQWNX-DZOHQFGASA-N 2 1 316.445 2.565 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000423076894 296375634 /nfs/dbraw/zinc/37/56/34/296375634.db2.gz SBHVQSKJWTYARC-PIKADFDJSA-N 2 1 320.452 2.630 20 0 DFADMP CC[C@H]([NH2+]C[C@](C)(Cc1ccccc1)[C@@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423079879 296375886 /nfs/dbraw/zinc/37/58/86/296375886.db2.gz RJMUJMRYHDOZOH-BVBHFADKSA-N 2 1 304.478 2.736 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000423078766 296375975 /nfs/dbraw/zinc/37/59/75/296375975.db2.gz PGMAHFKCWHWSNH-AWEZNQCLSA-N 3 1 304.482 2.621 20 0 DFADMP CCN(CC)[C@H](C)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423086673 296376615 /nfs/dbraw/zinc/37/66/15/296376615.db2.gz NRHKPEJDSIETJK-HHXXYDBFSA-N 2 1 317.477 2.562 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423087376 296376830 /nfs/dbraw/zinc/37/68/30/296376830.db2.gz PJOYJQYLZXEFAC-NQYYFHDYSA-N 2 1 318.436 2.950 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423091308 296377160 /nfs/dbraw/zinc/37/71/60/296377160.db2.gz ZWBJRLJBHHGJHM-UJLSLHKQSA-N 2 1 307.404 2.507 20 0 DFADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000423091669 296377275 /nfs/dbraw/zinc/37/72/75/296377275.db2.gz YDCKAHKDKDUUTJ-NCXUSEDFSA-N 2 1 318.461 2.511 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000616994075 399557295 /nfs/dbraw/zinc/55/72/95/399557295.db2.gz UDZCWIUGYPZMCF-IAGOWNOFSA-N 2 1 323.525 2.734 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616993725 399557853 /nfs/dbraw/zinc/55/78/53/399557853.db2.gz MFGQMLZPMKFOHM-NVXWUHKLSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000616993725 399557857 /nfs/dbraw/zinc/55/78/57/399557857.db2.gz MFGQMLZPMKFOHM-NVXWUHKLSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000624120050 399558971 /nfs/dbraw/zinc/55/89/71/399558971.db2.gz QKTPLWNSEULUJI-HUUCEWRRSA-N 2 1 321.440 2.864 20 0 DFADMP OCC[C@H]([NH2+]C1CC[NH2+]CC1)c1ccc(Cl)c(Cl)c1 ZINC000423110177 296379233 /nfs/dbraw/zinc/37/92/33/296379233.db2.gz OSOBOHFMRCIELY-AWEZNQCLSA-N 2 1 303.233 2.759 20 0 DFADMP FC1(F)CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423107775 296378952 /nfs/dbraw/zinc/37/89/52/296378952.db2.gz FDKMGEPTGYKNJZ-XQLPTFJDSA-N 2 1 302.409 2.559 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110802 296379613 /nfs/dbraw/zinc/37/96/13/296379613.db2.gz VFRKHPQBDGURCO-PBHICJAKSA-N 2 1 305.441 2.904 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccsc1Br ZINC000423116579 296380276 /nfs/dbraw/zinc/38/02/76/296380276.db2.gz QMERUIWYQNDPCW-MWLCHTKSSA-N 2 1 303.269 2.988 20 0 DFADMP C[C@@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@@H]1CCCC[NH2+]1 ZINC000423125425 296381630 /nfs/dbraw/zinc/38/16/30/296381630.db2.gz ICCSMEJHIOFDBJ-YPMHNXCESA-N 2 1 301.356 2.763 20 0 DFADMP COc1ncccc1CC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423140569 296383815 /nfs/dbraw/zinc/38/38/15/296383815.db2.gz MSFIQBXFHJZMKS-ZWKOTPCHSA-N 2 1 311.429 2.716 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000423140594 296384000 /nfs/dbraw/zinc/38/40/00/296384000.db2.gz MTVAADHMKIEGKA-AWEZNQCLSA-N 2 1 315.417 2.508 20 0 DFADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423138436 296383427 /nfs/dbraw/zinc/38/34/27/296383427.db2.gz SSCJHJZOZUKCKE-YPMHNXCESA-N 2 1 312.841 2.630 20 0 DFADMP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000423138781 296383461 /nfs/dbraw/zinc/38/34/61/296383461.db2.gz UBIOTLFKFMXEHA-LTFXXXRZSA-N 2 1 306.494 2.950 20 0 DFADMP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423138435 296383578 /nfs/dbraw/zinc/38/35/78/296383578.db2.gz SSCJHJZOZUKCKE-WCQYABFASA-N 2 1 312.841 2.630 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423144113 296384378 /nfs/dbraw/zinc/38/43/78/296384378.db2.gz YMPRAINJXRLYFG-HUUCEWRRSA-N 2 1 304.482 2.699 20 0 DFADMP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423149846 296385322 /nfs/dbraw/zinc/38/53/22/296385322.db2.gz XZHVEQXEZLQAKT-QRQLOZEOSA-N 2 1 318.436 2.950 20 0 DFADMP CSCC1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423158300 296386141 /nfs/dbraw/zinc/38/61/41/296386141.db2.gz NVWFZJQPNFPLEA-SWHNLWLKSA-N 2 1 312.523 2.655 20 0 DFADMP FC(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CC1 ZINC000423169304 296387876 /nfs/dbraw/zinc/38/78/76/296387876.db2.gz IYDJULCUVKMWTL-ODGNXRKOSA-N 2 1 302.409 2.557 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000347771115 285166258 /nfs/dbraw/zinc/16/62/58/285166258.db2.gz BVDBTJIKFLJLMN-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCCC[NH+]1CC)c1ccccc1 ZINC000347771115 285166263 /nfs/dbraw/zinc/16/62/63/285166263.db2.gz BVDBTJIKFLJLMN-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC000347771115 285166266 /nfs/dbraw/zinc/16/62/66/285166266.db2.gz BVDBTJIKFLJLMN-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC)c1ccccc1 ZINC000347771115 285166269 /nfs/dbraw/zinc/16/62/69/285166269.db2.gz BVDBTJIKFLJLMN-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2c(c1)COC2 ZINC000423181831 296389381 /nfs/dbraw/zinc/38/93/81/296389381.db2.gz DCNVCHGYDKGWAB-HNNXBMFYSA-N 2 1 311.429 2.942 20 0 DFADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCCC2)C[N@H+]1Cc1ccccc1 ZINC000423183448 296389723 /nfs/dbraw/zinc/38/97/23/296389723.db2.gz RXXXJHTXHWOAGO-FUHWJXTLSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)CN1Cc1ccccc1 ZINC000423183448 296389724 /nfs/dbraw/zinc/38/97/24/296389724.db2.gz RXXXJHTXHWOAGO-FUHWJXTLSA-N 2 1 301.478 2.901 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CC(F)(F)F ZINC000423195894 296391134 /nfs/dbraw/zinc/39/11/34/296391134.db2.gz YIEHWWCFTLHHOA-DGAVXFQQSA-N 2 1 308.388 2.712 20 0 DFADMP C[C@H](N[C@@H](C)[C@@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423211311 296392746 /nfs/dbraw/zinc/39/27/46/296392746.db2.gz GUZKFLSAMLOSKM-XYJFISCASA-N 2 1 319.493 2.666 20 0 DFADMP C[C@@H](N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCC[NH2+]C1 ZINC000423211309 296392757 /nfs/dbraw/zinc/39/27/57/296392757.db2.gz GUZKFLSAMLOSKM-LZLYRXPVSA-N 2 1 319.493 2.666 20 0 DFADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423200590 296391939 /nfs/dbraw/zinc/39/19/39/296391939.db2.gz MTHAORBOFZVGED-OTWHNJEPSA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423200590 296391940 /nfs/dbraw/zinc/39/19/40/296391940.db2.gz MTHAORBOFZVGED-OTWHNJEPSA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423200590 296391942 /nfs/dbraw/zinc/39/19/42/296391942.db2.gz MTHAORBOFZVGED-OTWHNJEPSA-N 3 1 301.478 2.629 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214720 296393027 /nfs/dbraw/zinc/39/30/27/296393027.db2.gz PJOHVOZFSZCNCO-HAGHYFMRSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214720 296393029 /nfs/dbraw/zinc/39/30/29/296393029.db2.gz PJOHVOZFSZCNCO-HAGHYFMRSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214720 296393030 /nfs/dbraw/zinc/39/30/30/296393030.db2.gz PJOHVOZFSZCNCO-HAGHYFMRSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423221664 296393967 /nfs/dbraw/zinc/39/39/67/296393967.db2.gz XNKLBJSJMYJUCO-AITUJVMLSA-N 3 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C)[C@H](c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000423221664 296393969 /nfs/dbraw/zinc/39/39/69/296393969.db2.gz XNKLBJSJMYJUCO-AITUJVMLSA-N 3 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000423221409 296393985 /nfs/dbraw/zinc/39/39/85/296393985.db2.gz ZTNHFGLDGLXMIN-QWHCGFSZSA-N 2 1 319.840 2.571 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000347800326 285180912 /nfs/dbraw/zinc/18/09/12/285180912.db2.gz LJGKDBLDYBCDAN-VQIMIIECSA-N 2 1 317.477 2.616 20 0 DFADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423227136 296394840 /nfs/dbraw/zinc/39/48/40/296394840.db2.gz UPCDLASCNCQYSY-JCHJZTRSSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423227136 296394841 /nfs/dbraw/zinc/39/48/41/296394841.db2.gz UPCDLASCNCQYSY-JCHJZTRSSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423227136 296394843 /nfs/dbraw/zinc/39/48/43/296394843.db2.gz UPCDLASCNCQYSY-JCHJZTRSSA-N 3 1 301.478 2.757 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](NC[C@@H]3CCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000423238552 296395926 /nfs/dbraw/zinc/39/59/26/296395926.db2.gz QZSKMFFHIMJTAW-YRPNKDGESA-N 2 1 313.489 2.771 20 0 DFADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423244031 296396386 /nfs/dbraw/zinc/39/63/86/296396386.db2.gz XCAOAFYLXNLVKG-IPMKNSEASA-N 2 1 301.478 2.629 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423271180 296399138 /nfs/dbraw/zinc/39/91/38/296399138.db2.gz XKTROOQTDSSCHP-TZMCWYRMSA-N 2 1 303.450 2.940 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423271283 296399242 /nfs/dbraw/zinc/39/92/42/296399242.db2.gz IVQRBBDFFLJBIO-CHWSQXEVSA-N 2 1 304.413 2.826 20 0 DFADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408451 399595008 /nfs/dbraw/zinc/59/50/08/399595008.db2.gz VMBNMSSRYXAXPW-PKFCDNJMSA-N 2 1 315.230 2.859 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)ccc1OC(F)F ZINC000423274674 296399510 /nfs/dbraw/zinc/39/95/10/296399510.db2.gz KSMJNGDTIPAILC-JOYOIKCWSA-N 2 1 300.349 2.685 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423267875 296398499 /nfs/dbraw/zinc/39/84/99/296398499.db2.gz UCNHKXNWGUKAFK-RDTXWAMCSA-N 2 1 313.449 2.826 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000423273657 296399627 /nfs/dbraw/zinc/39/96/27/296399627.db2.gz LHGRRGMCOPQSOC-SJORKVTESA-N 3 1 303.494 2.527 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423268940 296398773 /nfs/dbraw/zinc/39/87/73/296398773.db2.gz FGRRAWVMVWFCND-IUODEOHRSA-N 2 1 309.251 2.633 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@H](C)C1 ZINC000104262128 285201732 /nfs/dbraw/zinc/20/17/32/285201732.db2.gz CXUBIUBGQFROIJ-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104262128 285201738 /nfs/dbraw/zinc/20/17/38/285201738.db2.gz CXUBIUBGQFROIJ-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000104262128 285201741 /nfs/dbraw/zinc/20/17/41/285201741.db2.gz CXUBIUBGQFROIJ-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000156671056 197132045 /nfs/dbraw/zinc/13/20/45/197132045.db2.gz LEGVVWGNKPGIKF-YQQAZPJKSA-N 2 1 315.461 2.947 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000156671056 197132046 /nfs/dbraw/zinc/13/20/46/197132046.db2.gz LEGVVWGNKPGIKF-YQQAZPJKSA-N 2 1 315.461 2.947 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000245920737 285202092 /nfs/dbraw/zinc/20/20/92/285202092.db2.gz TXJSLPRYNXDJIK-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000245920737 285202094 /nfs/dbraw/zinc/20/20/94/285202094.db2.gz TXJSLPRYNXDJIK-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000245920737 285202096 /nfs/dbraw/zinc/20/20/96/285202096.db2.gz TXJSLPRYNXDJIK-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000423280819 296400279 /nfs/dbraw/zinc/40/02/79/296400279.db2.gz AJWXXAMXDYBTHH-GFCCVEGCSA-N 2 1 307.438 2.822 20 0 DFADMP C[C@@H](C[NH3+])C[NH2+][C@@H](C)c1ccccc1I ZINC000423300598 296402328 /nfs/dbraw/zinc/40/23/28/296402328.db2.gz RZKZLHPOLMRHAU-UWVGGRQHSA-N 2 1 318.202 2.537 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)c(O)c(C)c2)C1 ZINC000347860774 285213460 /nfs/dbraw/zinc/21/34/60/285213460.db2.gz JZKIQNRGSZKIHQ-SFHVURJKSA-N 2 1 320.477 2.942 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]([NH3+])C2CC2)cc1Br ZINC000423316704 296403796 /nfs/dbraw/zinc/40/37/96/296403796.db2.gz JZHJMYDORJOLCB-ZANVPECISA-N 2 1 313.239 2.846 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000347867685 285216863 /nfs/dbraw/zinc/21/68/63/285216863.db2.gz PVVFXYVCHQUNTH-UONOGXRCSA-N 2 1 310.511 2.509 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)C[C@@H]1C ZINC000347867685 285216864 /nfs/dbraw/zinc/21/68/64/285216864.db2.gz PVVFXYVCHQUNTH-UONOGXRCSA-N 2 1 310.511 2.509 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)C)C2)o1 ZINC000620799423 399601369 /nfs/dbraw/zinc/60/13/69/399601369.db2.gz NPMUMWITUQHOFG-OAHLLOKOSA-N 2 1 321.465 2.582 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1C ZINC000347877105 285220830 /nfs/dbraw/zinc/22/08/30/285220830.db2.gz ZGBMQQHAYOBTCR-DZGCQCFKSA-N 2 1 322.449 2.714 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1C ZINC000347877105 285220835 /nfs/dbraw/zinc/22/08/35/285220835.db2.gz ZGBMQQHAYOBTCR-DZGCQCFKSA-N 2 1 322.449 2.714 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1C ZINC000347877105 285220840 /nfs/dbraw/zinc/22/08/40/285220840.db2.gz ZGBMQQHAYOBTCR-DZGCQCFKSA-N 2 1 322.449 2.714 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)C[C@@H]1C ZINC000347877105 285220845 /nfs/dbraw/zinc/22/08/45/285220845.db2.gz ZGBMQQHAYOBTCR-DZGCQCFKSA-N 2 1 322.449 2.714 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cc(Br)ccc1F ZINC000423346139 296406941 /nfs/dbraw/zinc/40/69/41/296406941.db2.gz PSLSQYZSARCOOS-VHSXEESVSA-N 2 1 301.203 2.848 20 0 DFADMP COc1cccc(OCC[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000155052436 197018177 /nfs/dbraw/zinc/01/81/77/197018177.db2.gz MEAOMGGHIAWBLU-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000155052436 197018179 /nfs/dbraw/zinc/01/81/79/197018179.db2.gz MEAOMGGHIAWBLU-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000624224384 399603784 /nfs/dbraw/zinc/60/37/84/399603784.db2.gz UHSMUZIFPFYDKS-SWJQRLJCSA-N 2 1 312.457 2.664 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000624224384 399603789 /nfs/dbraw/zinc/60/37/89/399603789.db2.gz UHSMUZIFPFYDKS-SWJQRLJCSA-N 2 1 312.457 2.664 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)nnn1-c1ccc(F)cc1 ZINC000423386616 296411328 /nfs/dbraw/zinc/41/13/28/296411328.db2.gz MATUDGXHOJFITD-NILFDRSVSA-N 2 1 317.412 2.635 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)c1cccc(C(F)(F)F)c1 ZINC000423401498 296412695 /nfs/dbraw/zinc/41/26/95/296412695.db2.gz QXLAUTYITMDSHZ-GLQYFDAESA-N 2 1 316.367 2.981 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000347914255 285242261 /nfs/dbraw/zinc/24/22/61/285242261.db2.gz WGUSONNCNOPLLG-KRWDZBQOSA-N 2 1 319.493 2.697 20 0 DFADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@@H]1C[NH2+]C[C@@H]1O ZINC000423411225 296414193 /nfs/dbraw/zinc/41/41/93/296414193.db2.gz UAHOVHLKEIGOMM-XEZPLFJOSA-N 2 1 302.418 2.535 20 0 DFADMP COC[C@]1(C[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCC[NH2+]1 ZINC000423413071 296414377 /nfs/dbraw/zinc/41/43/77/296414377.db2.gz JPTXGVVAKUNTOE-NZSAHSFTSA-N 2 1 318.461 2.513 20 0 DFADMP COC[C@]1(C[NH2+][C@H]2C[C@@H](Oc3ccccc3)C2(C)C)CCC[NH2+]1 ZINC000423418071 296414881 /nfs/dbraw/zinc/41/48/81/296414881.db2.gz UDAQLXACZBIQLG-YQVWRLOYSA-N 2 1 318.461 2.591 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000271675536 285245371 /nfs/dbraw/zinc/24/53/71/285245371.db2.gz HLQHCOOPJGQRQS-SFHVURJKSA-N 2 1 306.425 2.640 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423440139 296417020 /nfs/dbraw/zinc/41/70/20/296417020.db2.gz APJSXUKXRDXOKT-PRHODGIISA-N 2 1 301.203 2.902 20 0 DFADMP Cc1cc(C)n(CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000347935600 285255613 /nfs/dbraw/zinc/25/56/13/285255613.db2.gz PZCVSDICIFBNAV-IRXDYDNUSA-N 2 1 304.482 2.743 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000320860356 533196597 /nfs/dbraw/zinc/19/65/97/533196597.db2.gz XZGSOVQBFHAFSR-BHIYHBOVSA-N 2 1 316.445 2.599 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000320860356 533196602 /nfs/dbraw/zinc/19/66/02/533196602.db2.gz XZGSOVQBFHAFSR-BHIYHBOVSA-N 2 1 316.445 2.599 20 0 DFADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)s1 ZINC000423490138 296421678 /nfs/dbraw/zinc/42/16/78/296421678.db2.gz YCTHRJOQISMVLN-ONGXEEELSA-N 2 1 303.422 2.909 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423492613 296421973 /nfs/dbraw/zinc/42/19/73/296421973.db2.gz NYFJALSJRKQZCQ-MAUKXSAKSA-N 2 1 306.450 2.895 20 0 DFADMP OCC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000187976475 285266990 /nfs/dbraw/zinc/26/69/90/285266990.db2.gz BQRHZXBUCVQACH-UYAOXDASSA-N 2 1 316.489 2.834 20 0 DFADMP CC[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1cnn(C)c1 ZINC000423519688 296425306 /nfs/dbraw/zinc/42/53/06/296425306.db2.gz DLODBLSFYPEADH-XEFPTXDNSA-N 2 1 302.466 2.614 20 0 DFADMP CCCC[C@@H](COC)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000120644234 195207547 /nfs/dbraw/zinc/20/75/47/195207547.db2.gz MTGFCVJDNCJHMM-OALUTQOASA-N 2 1 320.477 2.548 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000151912947 196745517 /nfs/dbraw/zinc/74/55/17/196745517.db2.gz VOEDUVWICJKKTM-CYBMUJFWSA-N 2 1 304.438 2.573 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1)C1CC1 ZINC000289478087 221002606 /nfs/dbraw/zinc/00/26/06/221002606.db2.gz HYRMMLIULRNYAQ-RBUKOAKNSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](CC1CCC1)c1ccccc1)C1CC1 ZINC000289478087 221002609 /nfs/dbraw/zinc/00/26/09/221002609.db2.gz HYRMMLIULRNYAQ-RBUKOAKNSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1)C1CC1 ZINC000289478085 221003618 /nfs/dbraw/zinc/00/36/18/221003618.db2.gz HYRMMLIULRNYAQ-OALUTQOASA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](CC1CCC1)c1ccccc1)C1CC1 ZINC000289478085 221003621 /nfs/dbraw/zinc/00/36/21/221003621.db2.gz HYRMMLIULRNYAQ-OALUTQOASA-N 2 1 302.462 2.963 20 0 DFADMP Cc1nc(CC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cs1 ZINC000120917644 195264307 /nfs/dbraw/zinc/26/43/07/195264307.db2.gz ZHVMBXDJCUBPBL-UHFFFAOYSA-N 2 1 304.463 2.682 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000289688277 221154198 /nfs/dbraw/zinc/15/41/98/221154198.db2.gz IAXVINYEOAETPM-QAPCUYQASA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000289688277 221154200 /nfs/dbraw/zinc/15/42/00/221154200.db2.gz IAXVINYEOAETPM-QAPCUYQASA-N 2 1 316.493 2.810 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(N2CCCC2)n1 ZINC000289761187 221207725 /nfs/dbraw/zinc/20/77/25/221207725.db2.gz LPTGQGSWVUGUDE-ZWKOTPCHSA-N 2 1 314.477 2.707 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc(N2CCCC2)n1 ZINC000289761187 221207729 /nfs/dbraw/zinc/20/77/29/221207729.db2.gz LPTGQGSWVUGUDE-ZWKOTPCHSA-N 2 1 314.477 2.707 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289734311 221188265 /nfs/dbraw/zinc/18/82/65/221188265.db2.gz HTSOCIXVOYRNPU-CXAGYDPISA-N 2 1 310.869 2.658 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000289734311 221188266 /nfs/dbraw/zinc/18/82/66/221188266.db2.gz HTSOCIXVOYRNPU-CXAGYDPISA-N 2 1 310.869 2.658 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000289734311 221188268 /nfs/dbraw/zinc/18/82/68/221188268.db2.gz HTSOCIXVOYRNPU-CXAGYDPISA-N 2 1 310.869 2.658 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000289734311 221188269 /nfs/dbraw/zinc/18/82/69/221188269.db2.gz HTSOCIXVOYRNPU-CXAGYDPISA-N 2 1 310.869 2.658 20 0 DFADMP CN(C)c1cccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000081632295 542498296 /nfs/dbraw/zinc/49/82/96/542498296.db2.gz LJXLOCJQIDCRDH-SFHVURJKSA-N 2 1 301.478 2.916 20 0 DFADMP CN(C)c1cccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000081632295 542498301 /nfs/dbraw/zinc/49/83/01/542498301.db2.gz LJXLOCJQIDCRDH-SFHVURJKSA-N 2 1 301.478 2.916 20 0 DFADMP CN(C)c1cccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000081632295 542498306 /nfs/dbraw/zinc/49/83/06/542498306.db2.gz LJXLOCJQIDCRDH-SFHVURJKSA-N 2 1 301.478 2.916 20 0 DFADMP CCC[C@H](C)CCC[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000629517012 399632523 /nfs/dbraw/zinc/63/25/23/399632523.db2.gz XWQJFZZPHVLPCO-KSZLIROESA-N 2 1 323.525 2.783 20 0 DFADMP CCC[C@H](C)CCC[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000629517014 399632657 /nfs/dbraw/zinc/63/26/57/399632657.db2.gz XWQJFZZPHVLPCO-RCCFBDPRSA-N 2 1 323.525 2.783 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(OC(F)(F)F)c1 ZINC000629521909 399634834 /nfs/dbraw/zinc/63/48/34/399634834.db2.gz SZJKFWCXQZSPGF-LLVKDONJSA-N 2 1 318.339 2.744 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCCC(F)(F)CC2)CC1 ZINC000625770729 399636230 /nfs/dbraw/zinc/63/62/30/399636230.db2.gz QGMZBESSSIFXNJ-UHFFFAOYSA-N 2 1 303.441 2.524 20 0 DFADMP OCc1ccc(F)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000629532034 399638054 /nfs/dbraw/zinc/63/80/54/399638054.db2.gz JCAQWQBWVRHTLJ-HZPDHXFCSA-N 2 1 306.425 2.530 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000629571313 399652704 /nfs/dbraw/zinc/65/27/04/399652704.db2.gz KSNPHRVJOAJONG-LBPRGKRZSA-N 2 1 320.355 2.814 20 0 DFADMP O[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)[C@@H]1c1ccc(Cl)cc1 ZINC000629582238 399655197 /nfs/dbraw/zinc/65/51/97/399655197.db2.gz PRZIXYVGMQSFDU-IAGOWNOFSA-N 2 1 308.853 2.837 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000629618324 399664952 /nfs/dbraw/zinc/66/49/52/399664952.db2.gz LWVGJGKJDCUHAU-ROUUACIJSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1CCCC12CC2 ZINC000629618324 399664956 /nfs/dbraw/zinc/66/49/56/399664956.db2.gz LWVGJGKJDCUHAU-ROUUACIJSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000629546151 399643978 /nfs/dbraw/zinc/64/39/78/399643978.db2.gz NNCJSRKFZBPOJW-ITDIGPHOSA-N 2 1 309.251 2.646 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000629546051 399644182 /nfs/dbraw/zinc/64/41/82/399644182.db2.gz OAXVAQADTYUXQX-LNSITVRQSA-N 2 1 311.832 2.788 20 0 DFADMP Fc1ccc([C@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1F ZINC000629552071 399645368 /nfs/dbraw/zinc/64/53/68/399645368.db2.gz ZPRVYHZYLASUSB-LSDHHAIUSA-N 2 1 322.399 2.665 20 0 DFADMP C[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc(C2CC2)c1 ZINC000629550129 399645378 /nfs/dbraw/zinc/64/53/78/399645378.db2.gz MPFRHVSZUWYHEA-UGSOOPFHSA-N 2 1 311.433 2.541 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000617347383 399672947 /nfs/dbraw/zinc/67/29/47/399672947.db2.gz LMCLSNPEPIMQJG-CVEARBPZSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000617347383 399672951 /nfs/dbraw/zinc/67/29/51/399672951.db2.gz LMCLSNPEPIMQJG-CVEARBPZSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000617347383 399672957 /nfs/dbraw/zinc/67/29/57/399672957.db2.gz LMCLSNPEPIMQJG-CVEARBPZSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1c(OC(F)F)ccc2ccccc21 ZINC000629662017 399681149 /nfs/dbraw/zinc/68/11/49/399681149.db2.gz FDHODZKUZMBXDC-UHFFFAOYSA-N 2 1 324.371 2.848 20 0 DFADMP C[NH+](C)CCc1ccc(-c2cccc(-c3noc(C[NH3+])n3)c2)cc1 ZINC000629731741 399706572 /nfs/dbraw/zinc/70/65/72/399706572.db2.gz NYHKJJISSQRFHJ-UHFFFAOYSA-N 2 1 322.412 2.966 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@H](C)C2CCCCC2)CC1 ZINC000625986857 399710593 /nfs/dbraw/zinc/71/05/93/399710593.db2.gz WHTWIPRNESPEIH-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@H]1CCOC1 ZINC000093840409 542554402 /nfs/dbraw/zinc/55/44/02/542554402.db2.gz SMMUCQJCQLZDJS-GOSISDBHSA-N 2 1 318.461 2.630 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000617502594 399719086 /nfs/dbraw/zinc/71/90/86/399719086.db2.gz VOYSDNQAUQXONA-CGTJXYLNSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCC[C@@H]1C1CC1 ZINC000617502594 399719090 /nfs/dbraw/zinc/71/90/90/399719090.db2.gz VOYSDNQAUQXONA-CGTJXYLNSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)c1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617503369 399720659 /nfs/dbraw/zinc/72/06/59/399720659.db2.gz GOAIXXLGEXOLAG-INIZCTEOSA-N 2 1 319.493 2.812 20 0 DFADMP CC(C)c1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617503369 399720662 /nfs/dbraw/zinc/72/06/62/399720662.db2.gz GOAIXXLGEXOLAG-INIZCTEOSA-N 2 1 319.493 2.812 20 0 DFADMP CCCc1ccc(C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000617504956 399720687 /nfs/dbraw/zinc/72/06/87/399720687.db2.gz QTERAFLFPMPIFA-INIZCTEOSA-N 2 1 319.493 2.641 20 0 DFADMP CCCc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000617504956 399720689 /nfs/dbraw/zinc/72/06/89/399720689.db2.gz QTERAFLFPMPIFA-INIZCTEOSA-N 2 1 319.493 2.641 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2N2CCCC2)[C@H](C)C1 ZINC000119661797 542573896 /nfs/dbraw/zinc/57/38/96/542573896.db2.gz HQNHVOXXLIJUGQ-CRAIPNDOSA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)nc2N2CCCC2)[C@H](C)C1 ZINC000119661797 542573900 /nfs/dbraw/zinc/57/39/00/542573900.db2.gz HQNHVOXXLIJUGQ-CRAIPNDOSA-N 2 1 316.493 2.810 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000348104010 285351736 /nfs/dbraw/zinc/35/17/36/285351736.db2.gz NHYRUNKAVAAACL-MOPGFXCFSA-N 2 1 301.478 2.712 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)ccn1 ZINC000621255427 399735088 /nfs/dbraw/zinc/73/50/88/399735088.db2.gz NJXWUPCZIGWHTN-KRWDZBQOSA-N 2 1 311.433 2.555 20 0 DFADMP CCn1ccnc1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000121714163 195334324 /nfs/dbraw/zinc/33/43/24/195334324.db2.gz KISQMQVLIOBUFG-UHFFFAOYSA-N 2 1 304.482 2.991 20 0 DFADMP CCc1nnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)o1 ZINC000122006286 195389509 /nfs/dbraw/zinc/38/95/09/195389509.db2.gz DBWZUCJVYDESSY-UHFFFAOYSA-N 2 1 306.454 2.720 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccccn2)CC1 ZINC000122075432 195398191 /nfs/dbraw/zinc/39/81/91/195398191.db2.gz BAAHMKUYVIEEOR-UHFFFAOYSA-N 2 1 305.466 2.652 20 0 DFADMP COCCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309949322 533258465 /nfs/dbraw/zinc/25/84/65/533258465.db2.gz FICYPLSOJPCGPU-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP COCCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309949322 533258468 /nfs/dbraw/zinc/25/84/68/533258468.db2.gz FICYPLSOJPCGPU-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP COCCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309949322 533258471 /nfs/dbraw/zinc/25/84/71/533258471.db2.gz FICYPLSOJPCGPU-MOPGFXCFSA-N 2 1 302.462 2.867 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000296673775 533375513 /nfs/dbraw/zinc/37/55/13/533375513.db2.gz HGSLHYAVCSQGKB-OALUTQOASA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000296673775 533375520 /nfs/dbraw/zinc/37/55/20/533375520.db2.gz HGSLHYAVCSQGKB-OALUTQOASA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000296673775 533375529 /nfs/dbraw/zinc/37/55/29/533375529.db2.gz HGSLHYAVCSQGKB-OALUTQOASA-N 2 1 302.462 2.662 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309708444 533501918 /nfs/dbraw/zinc/50/19/18/533501918.db2.gz IULAICSKTHGGKT-NEPXVJNWSA-N 2 1 302.462 2.912 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000125611875 542601840 /nfs/dbraw/zinc/60/18/40/542601840.db2.gz POMFRIJVPASRTE-GOSISDBHSA-N 2 1 318.461 2.772 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000125611875 542601844 /nfs/dbraw/zinc/60/18/44/542601844.db2.gz POMFRIJVPASRTE-GOSISDBHSA-N 2 1 318.461 2.772 20 0 DFADMP CCOc1cncc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)c1 ZINC000621328832 399756786 /nfs/dbraw/zinc/75/67/86/399756786.db2.gz FPGSSAHNXFJLPJ-HOTGVXAUSA-N 2 1 305.466 2.938 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC000629965523 399773290 /nfs/dbraw/zinc/77/32/90/399773290.db2.gz FVCFSQSQCGEGLX-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[NH+](C)C1CC1 ZINC000340232279 131239120 /nfs/dbraw/zinc/23/91/20/131239120.db2.gz QFYJKCGXZXOGGY-AYBZRNKSSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@H+](C)C1CC1 ZINC000340232279 131239122 /nfs/dbraw/zinc/23/91/22/131239122.db2.gz QFYJKCGXZXOGGY-AYBZRNKSSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000340232279 131239123 /nfs/dbraw/zinc/23/91/23/131239123.db2.gz QFYJKCGXZXOGGY-AYBZRNKSSA-N 2 1 301.478 2.894 20 0 DFADMP c1cc2cccc(C[NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)c2[nH]1 ZINC000603517159 399786022 /nfs/dbraw/zinc/78/60/22/399786022.db2.gz GKQQBGCLVRFBOS-SFHVURJKSA-N 2 1 313.445 2.901 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)c1 ZINC000155418738 542696578 /nfs/dbraw/zinc/69/65/78/542696578.db2.gz ICVIPYHNGCMESA-UHFFFAOYSA-N 2 1 303.450 2.855 20 0 DFADMP Cc1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000366695967 131675758 /nfs/dbraw/zinc/67/57/58/131675758.db2.gz ZVNYINSGQXXJLV-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP Cc1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)c1 ZINC000366695967 131675760 /nfs/dbraw/zinc/67/57/60/131675760.db2.gz ZVNYINSGQXXJLV-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1nccn1CCc1ccccc1 ZINC000164276469 132133851 /nfs/dbraw/zinc/13/38/51/132133851.db2.gz HXPVIKAQBZZLPF-WMZOPIPTSA-N 2 1 312.461 2.556 20 0 DFADMP c1cnn(Cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)c1 ZINC000166253844 542750725 /nfs/dbraw/zinc/75/07/25/542750725.db2.gz PZPCYWNEAFUKHL-RBUKOAKNSA-N 2 1 310.445 2.648 20 0 DFADMP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166416088 542751716 /nfs/dbraw/zinc/75/17/16/542751716.db2.gz CSNGDJREPOVALQ-IAGOWNOFSA-N 2 1 301.434 2.587 20 0 DFADMP c1cc(OCC2CC2)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166416088 542751717 /nfs/dbraw/zinc/75/17/17/542751717.db2.gz CSNGDJREPOVALQ-IAGOWNOFSA-N 2 1 301.434 2.587 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000166617863 542752220 /nfs/dbraw/zinc/75/22/20/542752220.db2.gz SYLOTTRMFZDQQB-JJRVBVJISA-N 2 1 323.431 2.784 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1c(F)cccc1F ZINC000166617863 542752226 /nfs/dbraw/zinc/75/22/26/542752226.db2.gz SYLOTTRMFZDQQB-JJRVBVJISA-N 2 1 323.431 2.784 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166796798 542752873 /nfs/dbraw/zinc/75/28/73/542752873.db2.gz IIMMSLGFPOJFIV-RTBURBONSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCc2cnn(C)c2)C1 ZINC000603711959 399800062 /nfs/dbraw/zinc/80/00/62/399800062.db2.gz SNKXFNKLYGGWDK-HKUYNNGSSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCc2cnn(C)c2)C1 ZINC000603711959 399800065 /nfs/dbraw/zinc/80/00/65/399800065.db2.gz SNKXFNKLYGGWDK-HKUYNNGSSA-N 2 1 318.509 2.939 20 0 DFADMP Cc1cc(C[NH2+]CCCN2CCC[N@H+](C)CC2)ccc1Cl ZINC000180883664 542786847 /nfs/dbraw/zinc/78/68/47/542786847.db2.gz AFHMYEOYNDRSMN-UHFFFAOYSA-N 2 1 309.885 2.766 20 0 DFADMP C[C@H]1C[C@@H](Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000182249575 542794260 /nfs/dbraw/zinc/79/42/60/542794260.db2.gz MKYYUHNWEZNMTI-RDJZCZTQSA-N 2 1 317.477 2.538 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)o1 ZINC000247135971 542928312 /nfs/dbraw/zinc/92/83/12/542928312.db2.gz XBCXBJWYHXWZIL-BZSNNMDCSA-N 2 1 317.477 2.941 20 0 DFADMP CCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](CC)C1 ZINC000617924915 399834160 /nfs/dbraw/zinc/83/41/60/399834160.db2.gz BBVBETHKZGMTSO-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146968 542986921 /nfs/dbraw/zinc/98/69/21/542986921.db2.gz PZRDBPIOYLCVKJ-BBRMVZONSA-N 2 1 304.434 2.623 20 0 DFADMP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2ncc[nH]2)cc1 ZINC000285470466 542997483 /nfs/dbraw/zinc/99/74/83/542997483.db2.gz ASPHGIMPBPLRRA-HNNXBMFYSA-N 2 1 316.449 2.981 20 0 DFADMP FC(F)COCC[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000289332129 543007055 /nfs/dbraw/zinc/00/70/55/543007055.db2.gz KZKUKVCNDKTEFC-UHFFFAOYSA-N 2 1 321.371 2.639 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CC[N@H+]1C ZINC000293768083 543020784 /nfs/dbraw/zinc/02/07/84/543020784.db2.gz RWKKAVCTVJFTMK-WCQYABFASA-N 2 1 301.356 2.715 20 0 DFADMP Cc1ccccc1-c1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000322852256 543090354 /nfs/dbraw/zinc/09/03/54/543090354.db2.gz PZVXWGWSXPYUDE-BPUTZDHNSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccccc1-c1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)n1 ZINC000322852256 543090356 /nfs/dbraw/zinc/09/03/56/543090356.db2.gz PZVXWGWSXPYUDE-BPUTZDHNSA-N 2 1 312.417 2.604 20 0 DFADMP CCN(CCCN1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C)CC(F)(F)F ZINC000681209556 545611577 /nfs/dbraw/zinc/61/15/77/545611577.db2.gz SFGOPADVOZGPIN-LSDHHAIUSA-N 2 1 321.431 2.819 20 0 DFADMP CCN(CCCN1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)CC(F)(F)F ZINC000681209556 545611580 /nfs/dbraw/zinc/61/15/80/545611580.db2.gz SFGOPADVOZGPIN-LSDHHAIUSA-N 2 1 321.431 2.819 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339272078 543142648 /nfs/dbraw/zinc/14/26/48/543142648.db2.gz CCTINJJNDBDPNL-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC(N(C)C(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339269742 543142986 /nfs/dbraw/zinc/14/29/86/543142986.db2.gz KNFMXOUBQGKMOU-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339071397 543140149 /nfs/dbraw/zinc/14/01/49/543140149.db2.gz QVLOBDSMWAWULI-MSOLQXFVSA-N 2 1 315.461 2.543 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339071397 543140151 /nfs/dbraw/zinc/14/01/51/543140151.db2.gz QVLOBDSMWAWULI-MSOLQXFVSA-N 2 1 315.461 2.543 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348072274 543183022 /nfs/dbraw/zinc/18/30/22/543183022.db2.gz AEKVLLJQOOLJRM-MOPGFXCFSA-N 2 1 300.446 2.797 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N[C@H](C)c2ccccc2)[C@@H](C)C1 ZINC000625256884 399868467 /nfs/dbraw/zinc/86/84/67/399868467.db2.gz VOISQSXHVBTRTB-LZLYRXPVSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)c1ncc[nH]1 ZINC000353504116 543235911 /nfs/dbraw/zinc/23/59/11/543235911.db2.gz QDHPXGIAADLVQJ-AWEZNQCLSA-N 2 1 302.422 2.591 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352246654 543228828 /nfs/dbraw/zinc/22/88/28/543228828.db2.gz RCXQZJYRMFVOMJ-XUVXKRRUSA-N 2 1 316.489 2.959 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352246654 543228830 /nfs/dbraw/zinc/22/88/30/543228830.db2.gz RCXQZJYRMFVOMJ-XUVXKRRUSA-N 2 1 316.489 2.959 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000352246654 543228832 /nfs/dbraw/zinc/22/88/32/543228832.db2.gz RCXQZJYRMFVOMJ-XUVXKRRUSA-N 2 1 316.489 2.959 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000352535182 543230040 /nfs/dbraw/zinc/23/00/40/543230040.db2.gz NRLLVEYVHKWBPL-MRXNPFEDSA-N 2 1 312.417 2.972 20 0 DFADMP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000353676222 543237526 /nfs/dbraw/zinc/23/75/26/543237526.db2.gz WCGTVOYODJAQSU-CEXWTWQISA-N 2 1 302.462 2.777 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353681113 543237837 /nfs/dbraw/zinc/23/78/37/543237837.db2.gz ADVFDIHXRAXFLE-FUMNGEBKSA-N 2 1 316.489 2.690 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000353927475 146832596 /nfs/dbraw/zinc/83/25/96/146832596.db2.gz JFHRARRNTIQZDM-UHFFFAOYSA-N 2 1 316.424 2.977 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000390929505 543308109 /nfs/dbraw/zinc/30/81/09/543308109.db2.gz ZNQXFHSFUUJSIR-CCNLRDMRSA-N 2 1 302.462 2.931 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398181548 543310873 /nfs/dbraw/zinc/31/08/73/543310873.db2.gz KDLPNSNNWOBUAT-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398181548 543310875 /nfs/dbraw/zinc/31/08/75/543310875.db2.gz KDLPNSNNWOBUAT-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398181548 543310877 /nfs/dbraw/zinc/31/08/77/543310877.db2.gz KDLPNSNNWOBUAT-YSIASYRMSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@@H]3CCC[NH2+]3)cc2)C1 ZINC000164577100 145224637 /nfs/dbraw/zinc/22/46/37/145224637.db2.gz USUFEUTZHIQDNX-QAPCUYQASA-N 2 1 315.461 2.999 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)C(C)(C)[NH3+])cc2)C1 ZINC000164837623 145226725 /nfs/dbraw/zinc/22/67/25/145226725.db2.gz YJJNWOCJBSSGCN-GASCZTMLSA-N 2 1 317.477 2.518 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000165348737 145229332 /nfs/dbraw/zinc/22/93/32/145229332.db2.gz RATNOQAJSFUNSQ-PKOBYXMFSA-N 2 1 302.462 2.566 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000165352739 145229595 /nfs/dbraw/zinc/22/95/95/145229595.db2.gz VWJRXPIZNKBQID-KXBFYZLASA-N 2 1 319.468 2.862 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000165352739 145229599 /nfs/dbraw/zinc/22/95/99/145229599.db2.gz VWJRXPIZNKBQID-KXBFYZLASA-N 2 1 319.468 2.862 20 0 DFADMP [NH3+]CCCCCCC(=O)N[C@@H]1CCC[N@H+](C2CCCCC2)C1 ZINC000168525427 145243517 /nfs/dbraw/zinc/24/35/17/145243517.db2.gz VWURPACSOHMDHW-MRXNPFEDSA-N 2 1 309.498 2.809 20 0 DFADMP Cc1noc(C)c1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000171306302 145262656 /nfs/dbraw/zinc/26/26/56/145262656.db2.gz DOPPBNDDUUHZTO-OKILXGFUSA-N 2 1 321.465 2.613 20 0 DFADMP CC[N@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccs1 ZINC000172242893 145297098 /nfs/dbraw/zinc/29/70/98/145297098.db2.gz JUGPBVILEVZROA-UHFFFAOYSA-N 2 1 323.506 2.559 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)Cc1cccs1 ZINC000172242893 145297100 /nfs/dbraw/zinc/29/71/00/145297100.db2.gz JUGPBVILEVZROA-UHFFFAOYSA-N 2 1 323.506 2.559 20 0 DFADMP CS[C@H]1CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000425363719 296573653 /nfs/dbraw/zinc/57/36/53/296573653.db2.gz XSYASJVIPKAKFU-SJORKVTESA-N 2 1 306.475 2.502 20 0 DFADMP CCC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CC1(C)C ZINC000417312395 543335000 /nfs/dbraw/zinc/33/50/00/543335000.db2.gz NOZWKZHLLIVDCU-IRXDYDNUSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](c1ccccc1F)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174898946 145393216 /nfs/dbraw/zinc/39/32/16/145393216.db2.gz MNEYRGKEOISRFR-SJORKVTESA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174898946 145393220 /nfs/dbraw/zinc/39/32/20/145393220.db2.gz MNEYRGKEOISRFR-SJORKVTESA-N 2 1 319.468 2.989 20 0 DFADMP [NH3+]C1CCC(Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC1 ZINC000630508307 399896431 /nfs/dbraw/zinc/89/64/31/399896431.db2.gz JVNMFTYJNAJORC-UHFFFAOYSA-N 2 1 309.417 2.679 20 0 DFADMP Brc1ccc2[nH+]ccc(NC3CC[NH2+]CC3)c2c1 ZINC000630550082 399901965 /nfs/dbraw/zinc/90/19/65/399901965.db2.gz SRMCQBKPQVKOMP-UHFFFAOYSA-N 2 1 306.207 2.583 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1c2c(nn1C)CCCC2)C(C)C ZINC000631083854 399977165 /nfs/dbraw/zinc/97/71/65/399977165.db2.gz TYICNQAUCMJIER-UHFFFAOYSA-N 2 1 306.498 2.897 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633652035 399930374 /nfs/dbraw/zinc/93/03/74/399930374.db2.gz YGKZBYDYFZFILW-UHFFFAOYSA-N 2 1 314.433 2.927 20 0 DFADMP Oc1ccc([C@@H]2CC[N@@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000628481789 400035615 /nfs/dbraw/zinc/03/56/15/400035615.db2.gz TXXCTSAZLCIYBI-MRXNPFEDSA-N 2 1 320.396 2.962 20 0 DFADMP Oc1ccc([C@@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000628481789 400035616 /nfs/dbraw/zinc/03/56/16/400035616.db2.gz TXXCTSAZLCIYBI-MRXNPFEDSA-N 2 1 320.396 2.962 20 0 DFADMP Oc1ccc([C@H]2CC[N@@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000628481788 400035726 /nfs/dbraw/zinc/03/57/26/400035726.db2.gz TXXCTSAZLCIYBI-INIZCTEOSA-N 2 1 320.396 2.962 20 0 DFADMP Oc1ccc([C@H]2CC[N@H+](Cc3ccnn3-c3cc[nH+]cc3)C2)cc1 ZINC000628481788 400035728 /nfs/dbraw/zinc/03/57/28/400035728.db2.gz TXXCTSAZLCIYBI-INIZCTEOSA-N 2 1 320.396 2.962 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000178846014 145535808 /nfs/dbraw/zinc/53/58/08/145535808.db2.gz QBHAETJWEXFUNR-BBRMVZONSA-N 2 1 312.417 2.500 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3[nH]ccc3c2)CC1 ZINC000628165393 399994561 /nfs/dbraw/zinc/99/45/61/399994561.db2.gz WTBKUJOPCQFRBH-HNNXBMFYSA-N 2 1 315.461 2.693 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628186673 399997841 /nfs/dbraw/zinc/99/78/41/399997841.db2.gz SMHWMOGVUHPNMU-JKSUJKDBSA-N 2 1 300.512 2.705 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)O1 ZINC000631221058 400006744 /nfs/dbraw/zinc/00/67/44/400006744.db2.gz DUEPUFCNWAFYFK-SPYBWZPUSA-N 2 1 320.452 2.988 20 0 DFADMP C[N@H+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000628748975 400052342 /nfs/dbraw/zinc/05/23/42/400052342.db2.gz ZKMMGIYIEGNUOA-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000628748975 400052344 /nfs/dbraw/zinc/05/23/44/400052344.db2.gz ZKMMGIYIEGNUOA-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H](CNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000628748975 400052346 /nfs/dbraw/zinc/05/23/46/400052346.db2.gz ZKMMGIYIEGNUOA-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000631603965 400057435 /nfs/dbraw/zinc/05/74/35/400057435.db2.gz WUSRWPQVHIEKCQ-MRXNPFEDSA-N 2 1 312.417 2.633 20 0 DFADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000424090941 543342111 /nfs/dbraw/zinc/34/21/11/543342111.db2.gz CSKKAOIZRACEMS-WMZOPIPTSA-N 2 1 318.465 2.510 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661718 400063292 /nfs/dbraw/zinc/06/32/92/400063292.db2.gz BWGPIIKVZWELRF-SCTDSRPQSA-N 2 1 324.472 2.765 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631661719 400063518 /nfs/dbraw/zinc/06/35/18/400063518.db2.gz BWGPIIKVZWELRF-YQVWRLOYSA-N 2 1 324.472 2.765 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC(O)CC1 ZINC000631664943 400064182 /nfs/dbraw/zinc/06/41/82/400064182.db2.gz SPFVCVGTKCFGBF-SVUBNXHSSA-N 2 1 302.462 2.648 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000628966513 400066929 /nfs/dbraw/zinc/06/69/29/400066929.db2.gz YHUYUGYJNGRLSC-HOCLYGCPSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000628966513 400066931 /nfs/dbraw/zinc/06/69/31/400066931.db2.gz YHUYUGYJNGRLSC-HOCLYGCPSA-N 2 1 318.465 2.530 20 0 DFADMP O[C@H](CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000631697970 400067872 /nfs/dbraw/zinc/06/78/72/400067872.db2.gz AHAPRMJFAFGWRN-YYIAUSFCSA-N 2 1 324.415 2.788 20 0 DFADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1([C@@H]2CCCCO2)CCC1 ZINC000631732332 400070986 /nfs/dbraw/zinc/07/09/86/400070986.db2.gz HWKSCFYXMMKAFY-ROUUACIJSA-N 2 1 322.493 2.569 20 0 DFADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)co2)c1 ZINC000631822542 400077723 /nfs/dbraw/zinc/07/77/23/400077723.db2.gz HQNAKBIMVLAEPM-QWHCGFSZSA-N 2 1 301.390 2.519 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)co2)c1 ZINC000631822542 400077724 /nfs/dbraw/zinc/07/77/24/400077724.db2.gz HQNAKBIMVLAEPM-QWHCGFSZSA-N 2 1 301.390 2.519 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000631828933 400078122 /nfs/dbraw/zinc/07/81/22/400078122.db2.gz CECMTFNWWDXUAL-HNNXBMFYSA-N 2 1 304.438 2.549 20 0 DFADMP [NH3+][C@H]1CCCCC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000631832485 400078481 /nfs/dbraw/zinc/07/84/81/400078481.db2.gz GZOBVNYIIXLQME-ZDUSSCGKSA-N 2 1 309.841 2.872 20 0 DFADMP [NH3+][C@H]1CCCCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000631832485 400078482 /nfs/dbraw/zinc/07/84/82/400078482.db2.gz GZOBVNYIIXLQME-ZDUSSCGKSA-N 2 1 309.841 2.872 20 0 DFADMP CC[C@@H]1C[NH+]([C@@H](C)CC[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439477931 543353596 /nfs/dbraw/zinc/35/35/96/543353596.db2.gz WDQKAROZHNYIHI-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439477931 543353598 /nfs/dbraw/zinc/35/35/98/543353598.db2.gz WDQKAROZHNYIHI-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@H](C)[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439477931 543353602 /nfs/dbraw/zinc/35/36/02/543353602.db2.gz WDQKAROZHNYIHI-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@@H]1c1cccs1 ZINC000237080134 146036087 /nfs/dbraw/zinc/03/60/87/146036087.db2.gz MEFNSMFZCGSMIG-NWANDNLSSA-N 2 1 323.506 2.621 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415621 146066948 /nfs/dbraw/zinc/06/69/48/146066948.db2.gz DJOXYJKVXMNMMN-MAUKXSAKSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415621 146066949 /nfs/dbraw/zinc/06/69/49/146066949.db2.gz DJOXYJKVXMNMMN-MAUKXSAKSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000245415621 146066950 /nfs/dbraw/zinc/06/69/50/146066950.db2.gz DJOXYJKVXMNMMN-MAUKXSAKSA-N 2 1 306.450 2.736 20 0 DFADMP c1coc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)c1 ZINC000246014432 146114445 /nfs/dbraw/zinc/11/44/45/146114445.db2.gz SIYOOCZCCSSWQI-IKGGRYGDSA-N 2 1 303.450 2.633 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246446658 146139673 /nfs/dbraw/zinc/13/96/73/146139673.db2.gz OWJABDJTTGFTHX-MAUKXSAKSA-N 2 1 306.450 2.784 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOCCc2ccccc2)[C@@H](C)C1 ZINC000246896671 146157478 /nfs/dbraw/zinc/15/74/78/146157478.db2.gz FRCYEXGQSSQNTE-PKOBYXMFSA-N 2 1 304.478 2.956 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2ccc(OC)cc2)[C@@H](C)C1 ZINC000247003501 146158606 /nfs/dbraw/zinc/15/86/06/146158606.db2.gz KTYQIYGRPGBRJE-MAUKXSAKSA-N 2 1 306.450 2.784 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000261543979 146238156 /nfs/dbraw/zinc/23/81/56/146238156.db2.gz DJKSYITUNZKNBK-OAHLLOKOSA-N 2 1 323.440 2.540 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552922 146239616 /nfs/dbraw/zinc/23/96/16/146239616.db2.gz SBQIGKBVABRWSI-JCHJZTRSSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261552922 146239620 /nfs/dbraw/zinc/23/96/20/146239620.db2.gz SBQIGKBVABRWSI-JCHJZTRSSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261552922 146239625 /nfs/dbraw/zinc/23/96/25/146239625.db2.gz SBQIGKBVABRWSI-JCHJZTRSSA-N 2 1 301.478 2.614 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC(C)(C)[NH3+])cc1Br ZINC000261547820 146239886 /nfs/dbraw/zinc/23/98/86/146239886.db2.gz IPUWUHVHEVQAEL-VIFPVBQESA-N 2 1 301.228 2.846 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3sccc3Br)C[C@H]12 ZINC000261564848 146240583 /nfs/dbraw/zinc/24/05/83/146240583.db2.gz CUIFASVWOMAYHS-ATZCPNFKSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3sccc3Br)C[C@H]12 ZINC000261564848 146240588 /nfs/dbraw/zinc/24/05/88/146240588.db2.gz CUIFASVWOMAYHS-ATZCPNFKSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3sccc3Br)C[C@@H]12 ZINC000261564849 146240762 /nfs/dbraw/zinc/24/07/62/146240762.db2.gz CUIFASVWOMAYHS-FXPVBKGRSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3sccc3Br)C[C@@H]12 ZINC000261564849 146240765 /nfs/dbraw/zinc/24/07/65/146240765.db2.gz CUIFASVWOMAYHS-FXPVBKGRSA-N 2 1 301.253 2.680 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261600625 146244203 /nfs/dbraw/zinc/24/42/03/146244203.db2.gz BPGCRKSCAYEQCA-OLZOCXBDSA-N 2 1 300.324 2.627 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000261600625 146244205 /nfs/dbraw/zinc/24/42/05/146244205.db2.gz BPGCRKSCAYEQCA-OLZOCXBDSA-N 2 1 300.324 2.627 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261646191 146252631 /nfs/dbraw/zinc/25/26/31/146252631.db2.gz APQXEJZOUSCYMK-INIZCTEOSA-N 2 1 312.461 2.956 20 0 DFADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261646260 146253608 /nfs/dbraw/zinc/25/36/08/146253608.db2.gz ARJRMRSSVSYSFR-GOEBONIOSA-N 2 1 304.409 2.720 20 0 DFADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261646260 146253613 /nfs/dbraw/zinc/25/36/13/146253613.db2.gz ARJRMRSSVSYSFR-GOEBONIOSA-N 2 1 304.409 2.720 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261656345 146255351 /nfs/dbraw/zinc/25/53/51/146255351.db2.gz BITWOPBOXHSSNH-RYQLBKOJSA-N 2 1 310.445 2.565 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@H]12 ZINC000261688854 146259424 /nfs/dbraw/zinc/25/94/24/146259424.db2.gz NFOAAQGYRHLRLR-KGYLQXTDSA-N 2 1 300.324 2.754 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@H]12 ZINC000261688854 146259428 /nfs/dbraw/zinc/25/94/28/146259428.db2.gz NFOAAQGYRHLRLR-KGYLQXTDSA-N 2 1 300.324 2.754 20 0 DFADMP COc1c(O)cccc1C[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261707161 146264014 /nfs/dbraw/zinc/26/40/14/146264014.db2.gz MDCLOFDTFGHNCE-SJORKVTESA-N 2 1 312.413 2.575 20 0 DFADMP CN(C[C@]1(C)CC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261732908 146268245 /nfs/dbraw/zinc/26/82/45/146268245.db2.gz HJFCOGVKBXEFAR-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@]1(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000261742001 146269402 /nfs/dbraw/zinc/26/94/02/146269402.db2.gz IMOKQCYVILKOBR-OAHLLOKOSA-N 2 1 317.260 2.787 20 0 DFADMP C[C@@]1(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000261742001 146269405 /nfs/dbraw/zinc/26/94/05/146269405.db2.gz IMOKQCYVILKOBR-OAHLLOKOSA-N 2 1 317.260 2.787 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261780334 146274928 /nfs/dbraw/zinc/27/49/28/146274928.db2.gz FKPKZIVMQNHCNX-DUVNUKRYSA-N 2 1 322.836 2.686 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261780334 146274929 /nfs/dbraw/zinc/27/49/29/146274929.db2.gz FKPKZIVMQNHCNX-DUVNUKRYSA-N 2 1 322.836 2.686 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000261781554 146275968 /nfs/dbraw/zinc/27/59/68/146275968.db2.gz TYPLFSFCWJYVJX-LJQANCHMSA-N 2 1 311.429 2.831 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)C[C@H]21 ZINC000261797753 146279278 /nfs/dbraw/zinc/27/92/78/146279278.db2.gz GRPWJEHTYYKEAC-KCPJHIHWSA-N 2 1 302.447 2.697 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2ccnn2C)c1 ZINC000261811303 146279968 /nfs/dbraw/zinc/27/99/68/146279968.db2.gz HQJODULEHMZSCD-HOTGVXAUSA-N 2 1 312.461 2.955 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC(F)F ZINC000261819796 146283485 /nfs/dbraw/zinc/28/34/85/146283485.db2.gz AOISRCBRMJAKAM-DGCLKSJQSA-N 2 1 314.376 2.856 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)ccc1OC(F)F ZINC000261819796 146283489 /nfs/dbraw/zinc/28/34/89/146283489.db2.gz AOISRCBRMJAKAM-DGCLKSJQSA-N 2 1 314.376 2.856 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)C1CCCCC1 ZINC000261850228 146288774 /nfs/dbraw/zinc/28/87/74/146288774.db2.gz ZSUNVGLHMOCKGN-NJAFHUGGSA-N 2 1 321.509 2.678 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261863925 146290378 /nfs/dbraw/zinc/29/03/78/146290378.db2.gz KOLNAQVSFYVDOO-CGTJXYLNSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000261863925 146290380 /nfs/dbraw/zinc/29/03/80/146290380.db2.gz KOLNAQVSFYVDOO-CGTJXYLNSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261875929 146293234 /nfs/dbraw/zinc/29/32/34/146293234.db2.gz DRWLDPAATGEIFS-CWQOZTLDSA-N 2 1 324.509 2.574 20 0 DFADMP C[C@@]1(C[NH+]2CCC(Oc3ccc(F)cc3F)CC2)CC[NH2+]C1 ZINC000261879608 146293829 /nfs/dbraw/zinc/29/38/29/146293829.db2.gz QQVSRVDVTYBPIA-QGZVFWFLSA-N 2 1 310.388 2.808 20 0 DFADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261898010 146297753 /nfs/dbraw/zinc/29/77/53/146297753.db2.gz HIWOKGBYFDLXBA-BRSBDYLESA-N 2 1 318.461 2.509 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261898674 146298223 /nfs/dbraw/zinc/29/82/23/146298223.db2.gz ONYPWSCHPJTLBO-ULQDDVLXSA-N 2 1 315.461 2.610 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000261898674 146298228 /nfs/dbraw/zinc/29/82/28/146298228.db2.gz ONYPWSCHPJTLBO-ULQDDVLXSA-N 2 1 315.461 2.610 20 0 DFADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261912100 146300364 /nfs/dbraw/zinc/30/03/64/146300364.db2.gz YMLYGPXHGVQMBR-QZTJIDSGSA-N 2 1 308.441 2.817 20 0 DFADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261946588 146307737 /nfs/dbraw/zinc/30/77/37/146307737.db2.gz NPYFIHZJMSPWBK-PQEBFOHHSA-N 2 1 318.486 2.970 20 0 DFADMP Clc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261958448 146310070 /nfs/dbraw/zinc/31/00/70/146310070.db2.gz GXJGGSFMUNFVIG-QGZVFWFLSA-N 2 1 316.836 2.916 20 0 DFADMP Clc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261958448 146310071 /nfs/dbraw/zinc/31/00/71/146310071.db2.gz GXJGGSFMUNFVIG-QGZVFWFLSA-N 2 1 316.836 2.916 20 0 DFADMP Clc1ccccc1CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261975750 146313862 /nfs/dbraw/zinc/31/38/62/146313862.db2.gz RCCINRIIXBPGHG-DJIMGWMZSA-N 2 1 308.853 2.629 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261980486 146315411 /nfs/dbraw/zinc/31/54/11/146315411.db2.gz AJRMRYWQNPDWOL-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000261980486 146315416 /nfs/dbraw/zinc/31/54/16/146315416.db2.gz AJRMRYWQNPDWOL-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261987142 146317872 /nfs/dbraw/zinc/31/78/72/146317872.db2.gz SFMMIAYIJHOGTF-BBWFWOEESA-N 2 1 308.853 2.629 20 0 DFADMP Cc1ccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c(-c2cnn(C)c2)c1 ZINC000262026935 146323391 /nfs/dbraw/zinc/32/33/91/146323391.db2.gz NQNZQMRPTFPSGO-UHFFFAOYSA-N 2 1 324.472 2.971 20 0 DFADMP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(-c2ccnn2C)c1 ZINC000262033448 146324644 /nfs/dbraw/zinc/32/46/44/146324644.db2.gz XKXWZLSUUWGGNK-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP Clc1cc2c(c(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c1)OCC2 ZINC000262069945 146329976 /nfs/dbraw/zinc/32/99/76/146329976.db2.gz RXSMYGUFFANECS-UHFFFAOYSA-N 2 1 306.837 2.850 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262080027 146331052 /nfs/dbraw/zinc/33/10/52/146331052.db2.gz DWSUORUTUODFGJ-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000262080027 146331054 /nfs/dbraw/zinc/33/10/54/146331054.db2.gz DWSUORUTUODFGJ-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000262115831 146335438 /nfs/dbraw/zinc/33/54/38/146335438.db2.gz WXPYEHZRKOSKKJ-LJQANCHMSA-N 2 1 316.493 2.620 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000262305550 146350471 /nfs/dbraw/zinc/35/04/71/146350471.db2.gz PCFVUOUUMMUAAN-AEGPPILISA-N 2 1 314.458 2.764 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)C[C@@H]21 ZINC000262305550 146350474 /nfs/dbraw/zinc/35/04/74/146350474.db2.gz PCFVUOUUMMUAAN-AEGPPILISA-N 2 1 314.458 2.764 20 0 DFADMP CCc1ccc([C@H](CNC2=[NH+]CCCN2)[NH+](CC)CC)cc1 ZINC000262647705 146379659 /nfs/dbraw/zinc/37/96/59/146379659.db2.gz AIHREWIJWXCOEW-KRWDZBQOSA-N 2 1 302.466 2.571 20 0 DFADMP Cc1ccc(CCC[NH2+]CC2([NH+]3CCCC3)CCOCC2)cn1 ZINC000354345864 147002298 /nfs/dbraw/zinc/00/22/98/147002298.db2.gz DOPCTMMTYZHBLS-UHFFFAOYSA-N 2 1 317.477 2.557 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354663800 147109937 /nfs/dbraw/zinc/10/99/37/147109937.db2.gz YUGBJNJTPTUSMS-OZTPJHRESA-N 2 1 314.882 2.550 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@H]1C[C@@H]1c1ccc(Cl)s1 ZINC000354663800 147109941 /nfs/dbraw/zinc/10/99/41/147109941.db2.gz YUGBJNJTPTUSMS-OZTPJHRESA-N 2 1 314.882 2.550 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000355337528 147270836 /nfs/dbraw/zinc/27/08/36/147270836.db2.gz XAJMSULORGSMJY-QZTJIDSGSA-N 2 1 310.445 2.590 20 0 DFADMP C[C@@H](CCNC(=O)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000356031077 147537268 /nfs/dbraw/zinc/53/72/68/147537268.db2.gz CXPJGTOPBXSUQI-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000374777943 286004622 /nfs/dbraw/zinc/00/46/22/286004622.db2.gz NUXMPRMFQKGVRY-YDZRNGNQSA-N 2 1 300.446 2.790 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000374777943 286004623 /nfs/dbraw/zinc/00/46/23/286004623.db2.gz NUXMPRMFQKGVRY-YDZRNGNQSA-N 2 1 300.446 2.790 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000374777943 286004624 /nfs/dbraw/zinc/00/46/24/286004624.db2.gz NUXMPRMFQKGVRY-YDZRNGNQSA-N 2 1 300.446 2.790 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000357774124 148115718 /nfs/dbraw/zinc/11/57/18/148115718.db2.gz JLSWRJZZZIGDJW-ZDUSSCGKSA-N 2 1 302.426 2.503 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000357774124 148115723 /nfs/dbraw/zinc/11/57/23/148115723.db2.gz JLSWRJZZZIGDJW-ZDUSSCGKSA-N 2 1 302.426 2.503 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2nc(C)oc2C)[C@@H](C)C1 ZINC000357780501 148119286 /nfs/dbraw/zinc/11/92/86/148119286.db2.gz WJPWMTQJDJQLPW-WMLDXEAASA-N 2 1 323.481 2.561 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC2CCCC2)[C@H](C)C1 ZINC000358016755 148213498 /nfs/dbraw/zinc/21/34/98/148213498.db2.gz HLDHBOYJRWONFG-SJLPKXTDSA-N 2 1 312.498 2.672 20 0 DFADMP CO[C@@](C)(C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000638006218 543496526 /nfs/dbraw/zinc/49/65/26/543496526.db2.gz GDNPIUFQWDGCKQ-QAPCUYQASA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000638006218 543496528 /nfs/dbraw/zinc/49/65/28/543496528.db2.gz GDNPIUFQWDGCKQ-QAPCUYQASA-N 2 1 303.450 2.939 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@H](C)C1 ZINC000358103470 148243983 /nfs/dbraw/zinc/24/39/83/148243983.db2.gz WTYYYQVGBMHDMV-APWZRJJASA-N 2 1 320.477 2.661 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000358126789 148252309 /nfs/dbraw/zinc/25/23/09/148252309.db2.gz BPPJFRAARDGXQZ-CYBMUJFWSA-N 2 1 322.758 2.515 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000358126789 148252313 /nfs/dbraw/zinc/25/23/13/148252313.db2.gz BPPJFRAARDGXQZ-CYBMUJFWSA-N 2 1 322.758 2.515 20 0 DFADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c1 ZINC000358132104 148254642 /nfs/dbraw/zinc/25/46/42/148254642.db2.gz GLEAIGITLVHWGZ-HXUWFJFHSA-N 2 1 310.441 2.818 20 0 DFADMP Cc1ccccc1-c1cccc(C[NH2+]C[C@]2(O)CC[N@H+](C)C2)c1 ZINC000358132104 148254646 /nfs/dbraw/zinc/25/46/46/148254646.db2.gz GLEAIGITLVHWGZ-HXUWFJFHSA-N 2 1 310.441 2.818 20 0 DFADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000279609516 286024044 /nfs/dbraw/zinc/02/40/44/286024044.db2.gz XFRVBZGETSUNNF-LNLFQRSKSA-N 2 1 320.477 2.853 20 0 DFADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358250070 148303483 /nfs/dbraw/zinc/30/34/83/148303483.db2.gz KWVVXLSTDPTXBH-APWZRJJASA-N 2 1 320.477 2.829 20 0 DFADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358250070 148303487 /nfs/dbraw/zinc/30/34/87/148303487.db2.gz KWVVXLSTDPTXBH-APWZRJJASA-N 2 1 320.477 2.829 20 0 DFADMP Cc1[nH+]ccc(N2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1Cl ZINC000350344508 286030594 /nfs/dbraw/zinc/03/05/94/286030594.db2.gz ZOWKBSIKAXFICB-GFCCVEGCSA-N 2 1 309.841 2.733 20 0 DFADMP CCCCCn1cc(CN[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)c(C)n1 ZINC000358269130 148312508 /nfs/dbraw/zinc/31/25/08/148312508.db2.gz TVOQDMKBPWEPON-RDTXWAMCSA-N 2 1 304.482 2.954 20 0 DFADMP CCCCCn1cc(CN[C@@H]2C[N@H+](C3CC3)C[C@H]2C)c(C)n1 ZINC000358269130 148312513 /nfs/dbraw/zinc/31/25/13/148312513.db2.gz TVOQDMKBPWEPON-RDTXWAMCSA-N 2 1 304.482 2.954 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccccn2)CC1 ZINC000350356989 286031282 /nfs/dbraw/zinc/03/12/82/286031282.db2.gz OSPMXCDQBWKAAY-UHFFFAOYSA-N 2 1 324.472 2.856 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2ccccn2)CC1 ZINC000350356989 286031284 /nfs/dbraw/zinc/03/12/84/286031284.db2.gz OSPMXCDQBWKAAY-UHFFFAOYSA-N 2 1 324.472 2.856 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647936995 543510032 /nfs/dbraw/zinc/51/00/32/543510032.db2.gz PECXHEWQIFRQMS-FUHWJXTLSA-N 2 1 317.477 2.632 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)CC[C@H]1[NH3+] ZINC000647936995 543510033 /nfs/dbraw/zinc/51/00/33/543510033.db2.gz PECXHEWQIFRQMS-FUHWJXTLSA-N 2 1 317.477 2.632 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@H](C)C1 ZINC000358280751 148316789 /nfs/dbraw/zinc/31/67/89/148316789.db2.gz BUFYIPAVSOGKAQ-OAGGEKHMSA-N 2 1 304.434 2.536 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358407075 148349317 /nfs/dbraw/zinc/34/93/17/148349317.db2.gz QZESPTRKSMUWHH-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358407075 148349320 /nfs/dbraw/zinc/34/93/20/148349320.db2.gz QZESPTRKSMUWHH-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358407075 148349324 /nfs/dbraw/zinc/34/93/24/148349324.db2.gz QZESPTRKSMUWHH-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl)C[NH+](C)C ZINC000425949915 296605474 /nfs/dbraw/zinc/60/54/74/296605474.db2.gz HYVVYCQQUYDVFS-STQMWFEESA-N 2 1 321.856 2.769 20 0 DFADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000358569645 148388200 /nfs/dbraw/zinc/38/82/00/148388200.db2.gz WRSPUWDKGQDEFJ-BPQIPLTHSA-N 2 1 317.477 2.524 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2C[C@H](C)O[C@@H](C)C2)[C@H](C)C1 ZINC000339097653 286061846 /nfs/dbraw/zinc/06/18/46/286061846.db2.gz ZRIXDDYWZLHRQG-CVYDXHPNSA-N 2 1 312.498 2.669 20 0 DFADMP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000361009708 149006976 /nfs/dbraw/zinc/00/69/76/149006976.db2.gz MHEQKKFHDQGOLT-ZACQAIPSSA-N 2 1 317.452 2.868 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000361011505 149007368 /nfs/dbraw/zinc/00/73/68/149007368.db2.gz DTNZEOHJVUVRHC-QGZVFWFLSA-N 2 1 302.462 2.876 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000660430290 543526019 /nfs/dbraw/zinc/52/60/19/543526019.db2.gz MILHDJFJYFFYMN-HOTGVXAUSA-N 2 1 304.434 2.784 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000361104735 149029097 /nfs/dbraw/zinc/02/90/97/149029097.db2.gz LAYVPGSXYKAWMA-QRQLOZEOSA-N 2 1 312.461 2.944 20 0 DFADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1(C)C ZINC000361238704 149062736 /nfs/dbraw/zinc/06/27/36/149062736.db2.gz QPYBFXNLCYVNBW-IAGOWNOFSA-N 2 1 324.509 2.813 20 0 DFADMP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000361255953 149067571 /nfs/dbraw/zinc/06/75/71/149067571.db2.gz YCULOELWBORTLS-AYHJJNSGSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2C[C@H]2c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361348300 149093654 /nfs/dbraw/zinc/09/36/54/149093654.db2.gz JIDJWBGVDUFDBL-GSEOLPGOSA-N 2 1 313.489 2.500 20 0 DFADMP CCCC[N@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000361383699 149100830 /nfs/dbraw/zinc/10/08/30/149100830.db2.gz FKTFPIDBVFFUKW-IEBWSBKVSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000361383699 149100831 /nfs/dbraw/zinc/10/08/31/149100831.db2.gz FKTFPIDBVFFUKW-IEBWSBKVSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000361383699 149100832 /nfs/dbraw/zinc/10/08/32/149100832.db2.gz FKTFPIDBVFFUKW-IEBWSBKVSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000361383699 149100833 /nfs/dbraw/zinc/10/08/33/149100833.db2.gz FKTFPIDBVFFUKW-IEBWSBKVSA-N 2 1 318.509 2.614 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000361494980 149130353 /nfs/dbraw/zinc/13/03/53/149130353.db2.gz BBEJFIAZDSNKBA-SOLBZPMBSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000361494980 149130356 /nfs/dbraw/zinc/13/03/56/149130356.db2.gz BBEJFIAZDSNKBA-SOLBZPMBSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000361494980 149130357 /nfs/dbraw/zinc/13/03/57/149130357.db2.gz BBEJFIAZDSNKBA-SOLBZPMBSA-N 2 1 321.509 2.582 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@H](C)C1 ZINC000361511004 149135641 /nfs/dbraw/zinc/13/56/41/149135641.db2.gz NTGPPBCEPNSRQY-IKGGRYGDSA-N 2 1 314.514 2.510 20 0 DFADMP CC(C)COC[C@@H](O)C[N@H+]1CCC[C@H]1Cn1ccnc1C(C)C ZINC000361668229 149186228 /nfs/dbraw/zinc/18/62/28/149186228.db2.gz WLFOQYXRCOSUKD-IRXDYDNUSA-N 2 1 323.481 2.504 20 0 DFADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685818 149192020 /nfs/dbraw/zinc/19/20/20/149192020.db2.gz GPPQGRJBRPAVDX-RTBURBONSA-N 2 1 314.473 2.888 20 0 DFADMP OC1(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)CCC1 ZINC000361685818 149192024 /nfs/dbraw/zinc/19/20/24/149192024.db2.gz GPPQGRJBRPAVDX-RTBURBONSA-N 2 1 314.473 2.888 20 0 DFADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361767772 149214048 /nfs/dbraw/zinc/21/40/48/149214048.db2.gz QBKQJZGQPYSKKX-YTQUADARSA-N 2 1 304.478 2.894 20 0 DFADMP COC[C@H](CC(C)C)[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000361930545 149258206 /nfs/dbraw/zinc/25/82/06/149258206.db2.gz QNVDCUOFVCAYMK-KRWDZBQOSA-N 2 1 320.481 2.713 20 0 DFADMP CC1CCN(C(=[NH2+])NC[C@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CC1 ZINC000361947170 149262602 /nfs/dbraw/zinc/26/26/02/149262602.db2.gz ZAWGPQJBVWUTIV-ZBFHGGJFSA-N 2 1 320.506 2.997 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000361944081 149262781 /nfs/dbraw/zinc/26/27/81/149262781.db2.gz OHKYKBSCGDFEMS-UHFFFAOYSA-N 2 1 318.396 2.649 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000362079438 149290140 /nfs/dbraw/zinc/29/01/40/149290140.db2.gz PDXFASHWBVMHOF-QUCCMNQESA-N 2 1 315.505 2.761 20 0 DFADMP Cc1cc[nH+]c(N(C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000362667084 149338757 /nfs/dbraw/zinc/33/87/57/149338757.db2.gz QYVWOEYRGKQQKS-YJBOKZPZSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cc[nH+]c(N(C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)c1 ZINC000362667084 149338758 /nfs/dbraw/zinc/33/87/58/149338758.db2.gz QYVWOEYRGKQQKS-YJBOKZPZSA-N 2 1 313.449 2.643 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351340161 286122320 /nfs/dbraw/zinc/12/23/20/286122320.db2.gz OBNYHDUILQGRGY-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351340161 286122321 /nfs/dbraw/zinc/12/23/21/286122321.db2.gz OBNYHDUILQGRGY-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351340161 286122322 /nfs/dbraw/zinc/12/23/22/286122322.db2.gz OBNYHDUILQGRGY-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1)C1CC1 ZINC000351340161 286122323 /nfs/dbraw/zinc/12/23/23/286122323.db2.gz OBNYHDUILQGRGY-MOPGFXCFSA-N 2 1 302.462 2.539 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4ccncc4)cc3)C[C@H]12 ZINC000351472899 286128906 /nfs/dbraw/zinc/12/89/06/286128906.db2.gz BSZYQOKCXGUDMX-YSIASYRMSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@H]12 ZINC000351475823 286129391 /nfs/dbraw/zinc/12/93/91/286129391.db2.gz JKIQXZDGTSQEQN-SGMGOOAPSA-N 2 1 314.351 2.753 20 0 DFADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000351480450 286131086 /nfs/dbraw/zinc/13/10/86/286131086.db2.gz UXXBNEXJOUIAPQ-RRQGHBQHSA-N 2 1 313.401 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)co2)cc1 ZINC000351480450 286131088 /nfs/dbraw/zinc/13/10/88/286131088.db2.gz UXXBNEXJOUIAPQ-RRQGHBQHSA-N 2 1 313.401 2.519 20 0 DFADMP CN(C[C@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl)C1CC1 ZINC000351443236 286126472 /nfs/dbraw/zinc/12/64/72/286126472.db2.gz LYLZRVHTEFGPIJ-IRXDYDNUSA-N 2 1 322.880 2.802 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351488432 286133162 /nfs/dbraw/zinc/13/31/62/286133162.db2.gz FPNVTJDKKXDJBH-ABHRYQDASA-N 2 1 321.852 2.645 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351488432 286133165 /nfs/dbraw/zinc/13/31/65/286133165.db2.gz FPNVTJDKKXDJBH-ABHRYQDASA-N 2 1 321.852 2.645 20 0 DFADMP Cc1nc(C[C@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)no1 ZINC000351545331 286149218 /nfs/dbraw/zinc/14/92/18/286149218.db2.gz OWTPDHKGCIYNLX-HZPDHXFCSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)no1 ZINC000351545331 286149220 /nfs/dbraw/zinc/14/92/20/286149220.db2.gz OWTPDHKGCIYNLX-HZPDHXFCSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)no1 ZINC000351545331 286149222 /nfs/dbraw/zinc/14/92/22/286149222.db2.gz OWTPDHKGCIYNLX-HZPDHXFCSA-N 2 1 306.454 2.507 20 0 DFADMP CCN1CCC([N@H+](CCCCn2cc[nH+]c2C)C2CC2)CC1 ZINC000371203551 150002301 /nfs/dbraw/zinc/00/23/01/150002301.db2.gz BGTZZJMJDZQZBM-UHFFFAOYSA-N 2 1 304.482 2.920 20 0 DFADMP CCN1CCC([N@@H+](CCCCn2cc[nH+]c2C)C2CC2)CC1 ZINC000371203551 150002307 /nfs/dbraw/zinc/00/23/07/150002307.db2.gz BGTZZJMJDZQZBM-UHFFFAOYSA-N 2 1 304.482 2.920 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371294530 150018098 /nfs/dbraw/zinc/01/80/98/150018098.db2.gz LLFWCIXFVDRELC-GBESFXJTSA-N 2 1 302.462 2.987 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCc1ccc(F)c(F)c1 ZINC000371293257 150018209 /nfs/dbraw/zinc/01/82/09/150018209.db2.gz GCLIKKYRSYBYHN-FHLIZLRMSA-N 2 1 324.415 2.691 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCc1ccc(F)c(F)c1 ZINC000371293257 150018211 /nfs/dbraw/zinc/01/82/11/150018211.db2.gz GCLIKKYRSYBYHN-FHLIZLRMSA-N 2 1 324.415 2.691 20 0 DFADMP OCC1CCC2(CC[N@H+]2Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000371476234 150052662 /nfs/dbraw/zinc/05/26/62/150052662.db2.gz ARRIGZHSIKEMFF-UHFFFAOYSA-N 2 1 311.429 2.999 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591432 286162231 /nfs/dbraw/zinc/16/22/31/286162231.db2.gz FBGQTSQTMDJNDJ-BEFAXECRSA-N 2 1 320.452 2.850 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591432 286162236 /nfs/dbraw/zinc/16/22/36/286162236.db2.gz FBGQTSQTMDJNDJ-BEFAXECRSA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591432 286162239 /nfs/dbraw/zinc/16/22/39/286162239.db2.gz FBGQTSQTMDJNDJ-BEFAXECRSA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591432 286162243 /nfs/dbraw/zinc/16/22/43/286162243.db2.gz FBGQTSQTMDJNDJ-BEFAXECRSA-N 2 1 320.452 2.850 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCc4cnccn4)[C@H]3C2)cc1 ZINC000371665297 150078391 /nfs/dbraw/zinc/07/83/91/150078391.db2.gz LSBZPLLZCAQDBI-IHPCNDPISA-N 2 1 322.456 2.519 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccco1 ZINC000371985226 150120720 /nfs/dbraw/zinc/12/07/20/150120720.db2.gz RLUPBWUFVLQFTG-FUHWJXTLSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccco1 ZINC000371985226 150120721 /nfs/dbraw/zinc/12/07/21/150120721.db2.gz RLUPBWUFVLQFTG-FUHWJXTLSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000371978079 150121030 /nfs/dbraw/zinc/12/10/30/150121030.db2.gz IOJJPDGKTPSECY-BHIYHBOVSA-N 2 1 324.509 2.815 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CN2CCCCC2=O)CC1 ZINC000372018478 150125647 /nfs/dbraw/zinc/12/56/47/150125647.db2.gz WPCUUKOGBCAUBL-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(Cc3nc4ccc(F)cc4o3)CC[C@H]21 ZINC000372048501 150129707 /nfs/dbraw/zinc/12/97/07/150129707.db2.gz ZQHICHFDKAGDJI-IUODEOHRSA-N 2 1 303.381 2.883 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000372064235 150131876 /nfs/dbraw/zinc/13/18/76/150131876.db2.gz ADAONBXWJAIORQ-UFYCRDLUSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000372064235 150131880 /nfs/dbraw/zinc/13/18/80/150131880.db2.gz ADAONBXWJAIORQ-UFYCRDLUSA-N 2 1 314.473 2.769 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591433 286162175 /nfs/dbraw/zinc/16/21/75/286162175.db2.gz FBGQTSQTMDJNDJ-DNVCBOLYSA-N 2 1 320.452 2.850 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591433 286162178 /nfs/dbraw/zinc/16/21/78/286162178.db2.gz FBGQTSQTMDJNDJ-DNVCBOLYSA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591433 286162180 /nfs/dbraw/zinc/16/21/80/286162180.db2.gz FBGQTSQTMDJNDJ-DNVCBOLYSA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591433 286162183 /nfs/dbraw/zinc/16/21/83/286162183.db2.gz FBGQTSQTMDJNDJ-DNVCBOLYSA-N 2 1 320.452 2.850 20 0 DFADMP Cc1cc(N2CCC[N@@H+](Cc3nccn3C(C)C)CC2)cc[nH+]1 ZINC000372234521 150153127 /nfs/dbraw/zinc/15/31/27/150153127.db2.gz YQGYAWZBXCBYNF-UHFFFAOYSA-N 2 1 313.449 2.880 20 0 DFADMP Cc1cc(N2CCC[N@H+](Cc3nccn3C(C)C)CC2)cc[nH+]1 ZINC000372234521 150153129 /nfs/dbraw/zinc/15/31/29/150153129.db2.gz YQGYAWZBXCBYNF-UHFFFAOYSA-N 2 1 313.449 2.880 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000351598738 286164794 /nfs/dbraw/zinc/16/47/94/286164794.db2.gz VEUDYCGZIWBMIS-IAGOWNOFSA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000351598738 286164795 /nfs/dbraw/zinc/16/47/95/286164795.db2.gz VEUDYCGZIWBMIS-IAGOWNOFSA-N 2 1 304.482 2.957 20 0 DFADMP CCc1nccn1[C@@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000351598738 286164796 /nfs/dbraw/zinc/16/47/96/286164796.db2.gz VEUDYCGZIWBMIS-IAGOWNOFSA-N 2 1 304.482 2.957 20 0 DFADMP C[N@@H+](Cc1cccc(Cl)c1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372368873 150167728 /nfs/dbraw/zinc/16/77/28/150167728.db2.gz LDTBBVYIEGWXTL-SFHVURJKSA-N 2 1 321.896 2.940 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351604899 286166872 /nfs/dbraw/zinc/16/68/72/286166872.db2.gz FUCFVAPIYSPIKG-MISYRCLQSA-N 2 1 316.489 2.833 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351604899 286166873 /nfs/dbraw/zinc/16/68/73/286166873.db2.gz FUCFVAPIYSPIKG-MISYRCLQSA-N 2 1 316.489 2.833 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374014995 150293213 /nfs/dbraw/zinc/29/32/13/150293213.db2.gz RODRNXQWTSDMFB-BQFCYCMXSA-N 2 1 321.465 2.630 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@@H](C)C2)C1 ZINC000374014995 150293216 /nfs/dbraw/zinc/29/32/16/150293216.db2.gz RODRNXQWTSDMFB-BQFCYCMXSA-N 2 1 321.465 2.630 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000374303922 150340546 /nfs/dbraw/zinc/34/05/46/150340546.db2.gz VWINDMXUABAZNN-SJLPKXTDSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000374420426 150364938 /nfs/dbraw/zinc/36/49/38/150364938.db2.gz LIKWEUJURPMMCN-OQIJWPOYSA-N 2 1 302.462 2.974 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000351803679 286222412 /nfs/dbraw/zinc/22/24/12/286222412.db2.gz GAOAWUILJCBCOA-BBWFWOEESA-N 2 1 311.514 2.828 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC(OCC)C2)[C@@H](C)C1 ZINC000351821220 286226364 /nfs/dbraw/zinc/22/63/64/286226364.db2.gz GYZZHLDDPUOLLH-BFWZDYSYSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H](F)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351886217 286237452 /nfs/dbraw/zinc/23/74/52/286237452.db2.gz CESJXVHHOGPYCI-OAGGEKHMSA-N 2 1 300.462 2.946 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018055 286270898 /nfs/dbraw/zinc/27/08/98/286270898.db2.gz MZZLCIAAZDTZTM-MJGOQNOKSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018055 286270901 /nfs/dbraw/zinc/27/09/01/286270901.db2.gz MZZLCIAAZDTZTM-MJGOQNOKSA-N 2 1 300.446 2.940 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000352018055 286270902 /nfs/dbraw/zinc/27/09/02/286270902.db2.gz MZZLCIAAZDTZTM-MJGOQNOKSA-N 2 1 300.446 2.940 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352130395 286299663 /nfs/dbraw/zinc/29/96/63/286299663.db2.gz YYQSVNJKZZIMMI-ZWKOTPCHSA-N 2 1 317.477 2.544 20 0 DFADMP COc1ccc(C[N@@H+](CC2CC2)C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000262107555 286303076 /nfs/dbraw/zinc/30/30/76/286303076.db2.gz WBYRXUHNSSDYMX-LJQANCHMSA-N 2 1 318.461 2.915 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H](C)COC)CC1 ZINC000352311769 286341957 /nfs/dbraw/zinc/34/19/57/286341957.db2.gz ZADAHFKDXAUKHD-KRWDZBQOSA-N 2 1 319.493 2.685 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000352349919 286350129 /nfs/dbraw/zinc/35/01/29/286350129.db2.gz IIZIQDMFUUGKNH-AEFFLSMTSA-N 2 1 319.493 2.790 20 0 DFADMP CC[C@H](C(=O)NCCC[NH+](C)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000352499105 286389483 /nfs/dbraw/zinc/38/94/83/286389483.db2.gz SKGYQMVKMVQHQT-GOSISDBHSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C(=O)NCCC[N@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000352499105 286389484 /nfs/dbraw/zinc/38/94/84/286389484.db2.gz SKGYQMVKMVQHQT-GOSISDBHSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C(=O)NCCC[N@@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000352499105 286389485 /nfs/dbraw/zinc/38/94/85/286389485.db2.gz SKGYQMVKMVQHQT-GOSISDBHSA-N 2 1 319.493 2.744 20 0 DFADMP [NH3+]CCC[N@@H+](CC(=O)Nc1ccc(F)cc1)CC1CCCC1 ZINC000352487700 286385948 /nfs/dbraw/zinc/38/59/48/286385948.db2.gz IBQYLKQMDPIJEF-UHFFFAOYSA-N 2 1 307.413 2.605 20 0 DFADMP [NH3+]CCC[N@H+](CC(=O)Nc1ccc(F)cc1)CC1CCCC1 ZINC000352487700 286385949 /nfs/dbraw/zinc/38/59/49/286385949.db2.gz IBQYLKQMDPIJEF-UHFFFAOYSA-N 2 1 307.413 2.605 20 0 DFADMP CCOCc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352525108 286397796 /nfs/dbraw/zinc/39/77/96/286397796.db2.gz DQIBZBHRTFLTIH-LJQANCHMSA-N 2 1 318.461 2.807 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352525108 286397798 /nfs/dbraw/zinc/39/77/98/286397798.db2.gz DQIBZBHRTFLTIH-LJQANCHMSA-N 2 1 318.461 2.807 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000352527212 286398444 /nfs/dbraw/zinc/39/84/44/286398444.db2.gz XUPLQKCOYDYAKX-HNNXBMFYSA-N 2 1 322.449 2.806 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CCCC[C@H]2CC[NH3+])cc1OC ZINC000352527212 286398446 /nfs/dbraw/zinc/39/84/46/286398446.db2.gz XUPLQKCOYDYAKX-HNNXBMFYSA-N 2 1 322.449 2.806 20 0 DFADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cnn(CC(F)F)c1)C(C)(C)C ZINC000352528393 286398865 /nfs/dbraw/zinc/39/88/65/286398865.db2.gz LUDWUXOFJHLTFG-CYBMUJFWSA-N 2 1 302.413 2.604 20 0 DFADMP CC[C@@H]1C[NH+](C/C=C/C[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439470875 297127160 /nfs/dbraw/zinc/12/71/60/297127160.db2.gz FEFBBCSJGLFIGL-PJHKVULZSA-N 2 1 310.482 2.544 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1 ZINC000352756928 286459143 /nfs/dbraw/zinc/45/91/43/286459143.db2.gz SLEIGBHXWQNTHG-YPQKKHBXSA-N 2 1 324.415 2.660 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353275396 286598539 /nfs/dbraw/zinc/59/85/39/286598539.db2.gz KCSOTAXWFLGGBH-CYBMUJFWSA-N 2 1 304.425 2.901 20 0 DFADMP Cc1nccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)n1 ZINC000353298687 286605331 /nfs/dbraw/zinc/60/53/31/286605331.db2.gz DHIJIMDTHZVARL-UHFFFAOYSA-N 2 1 311.433 2.697 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCCc2ccc(F)cc21 ZINC000182963087 158010674 /nfs/dbraw/zinc/01/06/74/158010674.db2.gz AZIUVPNCYZMMQC-IBGZPJMESA-N 2 1 319.468 2.772 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245800405 158080683 /nfs/dbraw/zinc/08/06/83/158080683.db2.gz XSNPASFQBZFCND-KBXCAEBGSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245800405 158080685 /nfs/dbraw/zinc/08/06/85/158080685.db2.gz XSNPASFQBZFCND-KBXCAEBGSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245800405 158080686 /nfs/dbraw/zinc/08/06/86/158080686.db2.gz XSNPASFQBZFCND-KBXCAEBGSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc(OC)cc(OC)c2)[C@@H](C)C1 ZINC000245800405 158080688 /nfs/dbraw/zinc/08/06/88/158080688.db2.gz XSNPASFQBZFCND-KBXCAEBGSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3cc(F)ccc3n2C)[C@@H](C)C1 ZINC000246491310 158093923 /nfs/dbraw/zinc/09/39/23/158093923.db2.gz RXXVIEMKHJKTKI-ZFWWWQNUSA-N 2 1 318.440 2.575 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000246970045 158110547 /nfs/dbraw/zinc/11/05/47/158110547.db2.gz JAWOTQAROGZZSE-CRAIPNDOSA-N 2 1 317.477 2.646 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000246970045 158110548 /nfs/dbraw/zinc/11/05/48/158110548.db2.gz JAWOTQAROGZZSE-CRAIPNDOSA-N 2 1 317.477 2.646 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000247018215 158112260 /nfs/dbraw/zinc/11/22/60/158112260.db2.gz LQNVYJKWTDSGRN-FUHWJXTLSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H](C)C1 ZINC000247018215 158112265 /nfs/dbraw/zinc/11/22/65/158112265.db2.gz LQNVYJKWTDSGRN-FUHWJXTLSA-N 2 1 316.493 2.892 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000247194436 158123157 /nfs/dbraw/zinc/12/31/57/158123157.db2.gz UPTUBLZILRVHAD-OIPACUDHSA-N 2 1 306.450 2.781 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3cccc(C)c3)C2)CC1 ZINC000247224157 158123288 /nfs/dbraw/zinc/12/32/88/158123288.db2.gz CYRJOLLXVBUXHK-MJGOQNOKSA-N 2 1 301.478 2.768 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247196786 158123576 /nfs/dbraw/zinc/12/35/76/158123576.db2.gz OQFUHZPXOAKBCO-ARFHVFGLSA-N 2 1 320.481 2.776 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2CC)C1 ZINC000247196786 158123577 /nfs/dbraw/zinc/12/35/77/158123577.db2.gz OQFUHZPXOAKBCO-ARFHVFGLSA-N 2 1 320.481 2.776 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000247923375 158151669 /nfs/dbraw/zinc/15/16/69/158151669.db2.gz BJTBCAGLNZCNKU-ULQDDVLXSA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000247923375 158151672 /nfs/dbraw/zinc/15/16/72/158151672.db2.gz BJTBCAGLNZCNKU-ULQDDVLXSA-N 2 1 317.477 2.736 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](c2cccc(OC)c2)[NH+](C)C)[C@@H](C)C1 ZINC000247889644 158152332 /nfs/dbraw/zinc/15/23/32/158152332.db2.gz FBOUMTGUAIKONO-SNRMKQJTSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247889644 158152335 /nfs/dbraw/zinc/15/23/35/158152335.db2.gz FBOUMTGUAIKONO-SNRMKQJTSA-N 2 1 319.493 2.618 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](c2cccc(OC)c2)N(C)C)[C@@H](C)C1 ZINC000247889644 158152337 /nfs/dbraw/zinc/15/23/37/158152337.db2.gz FBOUMTGUAIKONO-SNRMKQJTSA-N 2 1 319.493 2.618 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(CC)c2)[C@H](C)C1 ZINC000247987043 158154659 /nfs/dbraw/zinc/15/46/59/158154659.db2.gz IXTJNEKMXFEUPL-NUJGCVRESA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cnn(CC)c2)[C@H](C)C1 ZINC000247987043 158154661 /nfs/dbraw/zinc/15/46/61/158154661.db2.gz IXTJNEKMXFEUPL-NUJGCVRESA-N 2 1 322.497 2.691 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247970515 158154990 /nfs/dbraw/zinc/15/49/90/158154990.db2.gz HGZYOWSKSBUTLL-WKULXVSPSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247970515 158154993 /nfs/dbraw/zinc/15/49/93/158154993.db2.gz HGZYOWSKSBUTLL-WKULXVSPSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247970515 158154994 /nfs/dbraw/zinc/15/49/94/158154994.db2.gz HGZYOWSKSBUTLL-WKULXVSPSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247970515 158154997 /nfs/dbraw/zinc/15/49/97/158154997.db2.gz HGZYOWSKSBUTLL-WKULXVSPSA-N 2 1 321.509 2.581 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@@H](C)C1 ZINC000248026416 158157527 /nfs/dbraw/zinc/15/75/27/158157527.db2.gz PBYKRZYBZIABEH-HKUYNNGSSA-N 2 1 320.477 2.792 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](N[C@H](C)c2ccccn2)[C@@H](C)C1 ZINC000248040388 158158229 /nfs/dbraw/zinc/15/82/29/158158229.db2.gz STGYOIDWDDAEEC-BBWFWOEESA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2ccccn2)[C@@H](C)C1 ZINC000248040388 158158233 /nfs/dbraw/zinc/15/82/33/158158233.db2.gz STGYOIDWDDAEEC-BBWFWOEESA-N 2 1 305.466 2.869 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2CCc3ccc(F)cc32)CC1 ZINC000248327823 158166555 /nfs/dbraw/zinc/16/65/55/158166555.db2.gz CPOQQFNPUXXMQS-KUHUBIRLSA-N 2 1 320.452 2.838 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CCC[C@H]2C[NH+](Cc3ccccc3)C[C@H]21 ZINC000248403512 158172616 /nfs/dbraw/zinc/17/26/16/158172616.db2.gz OQFRAWLUWKYBLO-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248403512 158172619 /nfs/dbraw/zinc/17/26/19/158172619.db2.gz OQFRAWLUWKYBLO-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403512 158172620 /nfs/dbraw/zinc/17/26/20/158172620.db2.gz OQFRAWLUWKYBLO-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248403512 158172623 /nfs/dbraw/zinc/17/26/23/158172623.db2.gz OQFRAWLUWKYBLO-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP CCN(C)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248403512 158172624 /nfs/dbraw/zinc/17/26/24/158172624.db2.gz OQFRAWLUWKYBLO-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CCC1 ZINC000248461629 158177662 /nfs/dbraw/zinc/17/76/62/158177662.db2.gz XRMVLGQDEJPYAE-KXBFYZLASA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)[C@](C)(O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000248541641 158182466 /nfs/dbraw/zinc/18/24/66/158182466.db2.gz CAIVFCAZFYCOHN-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@@H]([NH2+]CCn1cc[nH+]c1C)c1ccc2c(c1)OCCO2 ZINC000268782984 158209047 /nfs/dbraw/zinc/20/90/47/158209047.db2.gz CTIQYKBVWAOBII-OAHLLOKOSA-N 2 1 301.390 2.704 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[N@@H+](C)[C@H]1C)c1ccccc1 ZINC000343465552 158223522 /nfs/dbraw/zinc/22/35/22/158223522.db2.gz VGOYZCKEKLRNCI-JQHSSLGASA-N 2 1 317.477 2.668 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000355157521 158287722 /nfs/dbraw/zinc/28/77/22/158287722.db2.gz FNTXANQANAMKMG-QGZVFWFLSA-N 2 1 318.461 2.687 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000356903808 158320768 /nfs/dbraw/zinc/32/07/68/158320768.db2.gz SONKGLHPQQFVMW-IJXRJRJASA-N 2 1 316.489 2.895 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000356903830 158320836 /nfs/dbraw/zinc/32/08/36/158320836.db2.gz SONKGLHPQQFVMW-OJAHFUOMSA-N 2 1 316.489 2.895 20 0 DFADMP Cc1cnc([C@@H](C)N2CCC(N3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000356973809 158335717 /nfs/dbraw/zinc/33/57/17/158335717.db2.gz CVCNVYIIKOCNEM-MRXNPFEDSA-N 2 1 320.481 2.534 20 0 DFADMP Cc1cnc([C@H](C)[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)o1 ZINC000356970683 158335728 /nfs/dbraw/zinc/33/57/28/158335728.db2.gz AMQYAGQCFVXCKV-OAGGEKHMSA-N 2 1 321.465 2.865 20 0 DFADMP CC[C@@H]1C[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000356987177 158340545 /nfs/dbraw/zinc/34/05/45/158340545.db2.gz JJWGCTPYRSTBCA-IAGOWNOFSA-N 2 1 305.466 2.880 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)nc1 ZINC000357044854 158355525 /nfs/dbraw/zinc/35/55/25/158355525.db2.gz HIPLEUUEJIAKNM-QZTJIDSGSA-N 2 1 323.440 2.702 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)nc1 ZINC000357044854 158355527 /nfs/dbraw/zinc/35/55/27/158355527.db2.gz HIPLEUUEJIAKNM-QZTJIDSGSA-N 2 1 323.440 2.702 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000357059246 158358300 /nfs/dbraw/zinc/35/83/00/158358300.db2.gz WRLNQFXTMMQHNL-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000357059246 158358302 /nfs/dbraw/zinc/35/83/02/158358302.db2.gz WRLNQFXTMMQHNL-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP c1cn(-c2ccccc2)c(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357060990 158359453 /nfs/dbraw/zinc/35/94/53/158359453.db2.gz YVRIYIDCLCFLCM-KRWDZBQOSA-N 2 1 310.445 2.694 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000357082409 158361100 /nfs/dbraw/zinc/36/11/00/158361100.db2.gz OFGOYTJAROUTOJ-RBUKOAKNSA-N 2 1 323.440 2.702 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000357082409 158361101 /nfs/dbraw/zinc/36/11/01/158361101.db2.gz OFGOYTJAROUTOJ-RBUKOAKNSA-N 2 1 323.440 2.702 20 0 DFADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357084399 158362317 /nfs/dbraw/zinc/36/23/17/158362317.db2.gz QBWALKRFHIVYJK-JSGCOSHPSA-N 2 1 309.479 2.672 20 0 DFADMP O=C(CC[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cccc2ccccc21 ZINC000357087391 158363498 /nfs/dbraw/zinc/36/34/98/158363498.db2.gz NOAVRBRKPDMVNV-IRXDYDNUSA-N 2 1 323.440 2.710 20 0 DFADMP O=C(CC[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1)Nc1cccc2ccccc21 ZINC000357087391 158363501 /nfs/dbraw/zinc/36/35/01/158363501.db2.gz NOAVRBRKPDMVNV-IRXDYDNUSA-N 2 1 323.440 2.710 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccc(F)cc2)CC1 ZINC000358294954 158369887 /nfs/dbraw/zinc/36/98/87/158369887.db2.gz CJOXGLCCBBWDCM-KDOFPFPSSA-N 2 1 324.440 2.602 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358495859 158381744 /nfs/dbraw/zinc/38/17/44/158381744.db2.gz HZHPTBBSWVFFAI-UHFFFAOYSA-N 2 1 315.461 2.571 20 0 DFADMP O=C(C[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1cccc2ccccc21 ZINC000358506354 158382995 /nfs/dbraw/zinc/38/29/95/158382995.db2.gz JKEVLQLBMZGHHB-UHFFFAOYSA-N 2 1 323.440 2.854 20 0 DFADMP CCn1nccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000374817034 158814262 /nfs/dbraw/zinc/81/42/62/158814262.db2.gz VDCBWDLLNQDZSB-GOSISDBHSA-N 2 1 318.509 2.889 20 0 DFADMP CCn1nccc1CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000374817034 158814263 /nfs/dbraw/zinc/81/42/63/158814263.db2.gz VDCBWDLLNQDZSB-GOSISDBHSA-N 2 1 318.509 2.889 20 0 DFADMP COc1ccc(OCCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000430549800 296794109 /nfs/dbraw/zinc/79/41/09/296794109.db2.gz NTVYIUILHWAJCP-UHFFFAOYSA-N 2 1 318.461 2.928 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000129144455 196022909 /nfs/dbraw/zinc/02/29/09/196022909.db2.gz WVSNWRDWFUJTOO-BFHYXJOUSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000129144455 196022911 /nfs/dbraw/zinc/02/29/11/196022911.db2.gz WVSNWRDWFUJTOO-BFHYXJOUSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000129144455 196022913 /nfs/dbraw/zinc/02/29/13/196022913.db2.gz WVSNWRDWFUJTOO-BFHYXJOUSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000129144455 196022915 /nfs/dbraw/zinc/02/29/15/196022915.db2.gz WVSNWRDWFUJTOO-BFHYXJOUSA-N 2 1 306.406 2.543 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000129461082 196050650 /nfs/dbraw/zinc/05/06/50/196050650.db2.gz UDZAMZPQEAGYDG-IBGZPJMESA-N 2 1 313.489 2.520 20 0 DFADMP COC(=O)c1cc(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)s1 ZINC000130789248 196110289 /nfs/dbraw/zinc/11/02/89/196110289.db2.gz IDNBOWOHNQQRET-UHFFFAOYSA-N 2 1 321.446 2.870 20 0 DFADMP COC(=O)c1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)s1 ZINC000130789248 196110291 /nfs/dbraw/zinc/11/02/91/196110291.db2.gz IDNBOWOHNQQRET-UHFFFAOYSA-N 2 1 321.446 2.870 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000131302461 196159130 /nfs/dbraw/zinc/15/91/30/196159130.db2.gz KEWGWNRKLASKNL-MRXNPFEDSA-N 2 1 312.417 2.728 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000131437902 196168894 /nfs/dbraw/zinc/16/88/94/196168894.db2.gz QUXCCPRASUKVDS-GOSISDBHSA-N 2 1 323.440 2.996 20 0 DFADMP C[C@H](NCC(C)(C)C[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000132103881 196226731 /nfs/dbraw/zinc/22/67/31/196226731.db2.gz KQIRUWKXYKEJJS-INIZCTEOSA-N 2 1 321.509 2.865 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000314587249 287268703 /nfs/dbraw/zinc/26/87/03/287268703.db2.gz DTAUIBKZRRIWLM-RDBSUJKOSA-N 2 1 308.388 2.950 20 0 DFADMP CC(C)n1cc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cn1 ZINC000133125717 196313286 /nfs/dbraw/zinc/31/32/86/196313286.db2.gz QYZWWTPKEFUVGZ-HZPDHXFCSA-N 2 1 320.481 2.616 20 0 DFADMP Cc1[nH+]cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000667620547 543643229 /nfs/dbraw/zinc/64/32/29/543643229.db2.gz HGDISRDIKQMMDY-GOSISDBHSA-N 2 1 312.461 2.682 20 0 DFADMP Cc1[nH+]cc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000667620547 543643231 /nfs/dbraw/zinc/64/32/31/543643231.db2.gz HGDISRDIKQMMDY-GOSISDBHSA-N 2 1 312.461 2.682 20 0 DFADMP C[NH+](Cc1ccc(O[C@H]2CCOC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000667518345 543621363 /nfs/dbraw/zinc/62/13/63/543621363.db2.gz XTCVWSCAVSOIMZ-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@@H+](CCc1nccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667678924 543658353 /nfs/dbraw/zinc/65/83/53/543658353.db2.gz MLALYJMGFTYEAX-UHFFFAOYSA-N 2 1 313.430 2.788 20 0 DFADMP Brc1ccc2oc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)cc2c1 ZINC000667712845 543665247 /nfs/dbraw/zinc/66/52/47/543665247.db2.gz QSFABOZYJRIREU-VXGBXAGGSA-N 2 1 321.218 2.847 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)CC1 ZINC000667785617 543678452 /nfs/dbraw/zinc/67/84/52/543678452.db2.gz VBTJYMGKCXBSDU-HSALFYBXSA-N 2 1 313.489 2.712 20 0 DFADMP Cc1[nH+]cc(CN2CC[C@@H](O)[C@H]2c2ccc(Cl)cc2)n1C ZINC000668251371 543778020 /nfs/dbraw/zinc/77/80/20/543778020.db2.gz XDUFCCNGYPPCPL-HZPDHXFCSA-N 2 1 305.809 2.690 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000668168148 543757633 /nfs/dbraw/zinc/75/76/33/543757633.db2.gz OVFPNTSIKHVMMT-FUHWJXTLSA-N 2 1 322.497 2.552 20 0 DFADMP CC1=CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000668488603 543814326 /nfs/dbraw/zinc/81/43/26/543814326.db2.gz CWEAMHVBNSTGGX-OALUTQOASA-N 2 1 300.446 2.842 20 0 DFADMP C[C@@H](O)C1([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000668700891 543848232 /nfs/dbraw/zinc/84/82/32/543848232.db2.gz NDAIKVZOUIUAPL-HZPDHXFCSA-N 2 1 302.462 2.585 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000668691721 543847038 /nfs/dbraw/zinc/84/70/38/543847038.db2.gz AWMPNGLPLCTSLS-ACJLOTCBSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@H](CC[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740594 543858921 /nfs/dbraw/zinc/85/89/21/543858921.db2.gz WCMXOOCIMLYKHE-APWZRJJASA-N 2 1 302.462 2.711 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(C)c1O ZINC000668785259 543866981 /nfs/dbraw/zinc/86/69/81/543866981.db2.gz OWZGENWCGDCNGR-KRWDZBQOSA-N 2 1 306.450 2.552 20 0 DFADMP Cc1cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc(C)c1O ZINC000668785259 543866982 /nfs/dbraw/zinc/86/69/82/543866982.db2.gz OWZGENWCGDCNGR-KRWDZBQOSA-N 2 1 306.450 2.552 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc3c2CCC3)CCO1 ZINC000668787262 543867360 /nfs/dbraw/zinc/86/73/60/543867360.db2.gz QLAJOAKNSNGBBQ-SFHVURJKSA-N 2 1 302.462 2.718 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3ccncc3s2)CCO1 ZINC000668787702 543867462 /nfs/dbraw/zinc/86/74/62/543867462.db2.gz UTTHRPJSLJHFJV-HNNXBMFYSA-N 2 1 319.474 2.839 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3ccncc3s2)CCO1 ZINC000668787702 543867466 /nfs/dbraw/zinc/86/74/66/543867466.db2.gz UTTHRPJSLJHFJV-HNNXBMFYSA-N 2 1 319.474 2.839 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000296584679 226018537 /nfs/dbraw/zinc/01/85/37/226018537.db2.gz UOKJCCUGRRIVMH-NQBHXWOUSA-N 2 1 301.356 2.919 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000296584679 226018540 /nfs/dbraw/zinc/01/85/40/226018540.db2.gz UOKJCCUGRRIVMH-NQBHXWOUSA-N 2 1 301.356 2.919 20 0 DFADMP CO[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000669621115 543976859 /nfs/dbraw/zinc/97/68/59/543976859.db2.gz GYLLIHSYBHXUNH-MAUKXSAKSA-N 2 1 306.450 2.626 20 0 DFADMP C[N@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000669934566 544009731 /nfs/dbraw/zinc/00/97/31/544009731.db2.gz BOTZRCSKEQKTPZ-CVEARBPZSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](C[C@@H]1CCC2(CCCC2)O1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000669934566 544009734 /nfs/dbraw/zinc/00/97/34/544009734.db2.gz BOTZRCSKEQKTPZ-CVEARBPZSA-N 2 1 303.450 2.869 20 0 DFADMP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)nc12 ZINC000671749733 544106445 /nfs/dbraw/zinc/10/64/45/544106445.db2.gz MLBFNGALCRPXSN-RCCFBDPRSA-N 2 1 312.461 2.648 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671746245 544105895 /nfs/dbraw/zinc/10/58/95/544105895.db2.gz ZFLKIUKIOBVMLJ-BRWVUGGUSA-N 2 1 318.461 2.927 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671748409 544106033 /nfs/dbraw/zinc/10/60/33/544106033.db2.gz GUPFXFHBTVIOPA-NRSFXHEJSA-N 2 1 316.445 2.981 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672619127 544144024 /nfs/dbraw/zinc/14/40/24/544144024.db2.gz JEJNDFSKGJAWDO-KMFMINBZSA-N 2 1 310.869 2.736 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccc(O)cc21 ZINC000291279783 222281826 /nfs/dbraw/zinc/28/18/26/222281826.db2.gz RBXQLILWJZSCBD-QFBILLFUSA-N 2 1 318.461 2.596 20 0 DFADMP COCCOCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000291284599 222286357 /nfs/dbraw/zinc/28/63/57/222286357.db2.gz RKZXGMCYRNEEBP-YQQQUEKLSA-N 2 1 318.461 2.564 20 0 DFADMP Cn1cc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)cn1 ZINC000291394585 222363473 /nfs/dbraw/zinc/36/34/73/222363473.db2.gz CZKAIPFLDCFNJK-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000674047218 544215965 /nfs/dbraw/zinc/21/59/65/544215965.db2.gz HJCZCCQLKDPFPH-INIZCTEOSA-N 2 1 304.434 2.633 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@H]2COc3ccccc3O2)CC1 ZINC000674047218 544215968 /nfs/dbraw/zinc/21/59/68/544215968.db2.gz HJCZCCQLKDPFPH-INIZCTEOSA-N 2 1 304.434 2.633 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]CCCCn1cc[nH+]c1C)CO2 ZINC000297493317 227244649 /nfs/dbraw/zinc/24/46/49/227244649.db2.gz BNERDJRQXWNLGB-INIZCTEOSA-N 2 1 315.417 2.574 20 0 DFADMP CCC1(CC)CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000674873926 544272438 /nfs/dbraw/zinc/27/24/38/544272438.db2.gz BDIXXQBTTDMHHK-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC1(CC)CC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000674873926 544272440 /nfs/dbraw/zinc/27/24/40/544272440.db2.gz BDIXXQBTTDMHHK-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC1(CC)CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000674873926 544272443 /nfs/dbraw/zinc/27/24/43/544272443.db2.gz BDIXXQBTTDMHHK-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP CCC1(CC)CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000674873926 544272444 /nfs/dbraw/zinc/27/24/44/544272444.db2.gz BDIXXQBTTDMHHK-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP CN(C)Cc1ccsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000674877392 544272700 /nfs/dbraw/zinc/27/27/00/544272700.db2.gz RCKUNTYWJTYHFT-HUUCEWRRSA-N 2 1 321.490 2.509 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000674877392 544272702 /nfs/dbraw/zinc/27/27/02/544272702.db2.gz RCKUNTYWJTYHFT-HUUCEWRRSA-N 2 1 321.490 2.509 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000675156162 544288181 /nfs/dbraw/zinc/28/81/81/544288181.db2.gz FDRJHHSJAMAWQJ-KRWDZBQOSA-N 2 1 302.466 2.502 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000675156162 544288182 /nfs/dbraw/zinc/28/81/82/544288182.db2.gz FDRJHHSJAMAWQJ-KRWDZBQOSA-N 2 1 302.466 2.502 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000675769522 544334864 /nfs/dbraw/zinc/33/48/64/544334864.db2.gz ZHPYVMKBQDBKTI-OWYHZJEWSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000675769522 544334865 /nfs/dbraw/zinc/33/48/65/544334865.db2.gz ZHPYVMKBQDBKTI-OWYHZJEWSA-N 2 1 302.462 2.933 20 0 DFADMP c1[nH+]c(C2CC[NH+](C[C@@H]3CCCCO3)CC2)n2c1CCCC2 ZINC000434672059 296944447 /nfs/dbraw/zinc/94/44/47/296944447.db2.gz LIDMCIDEGJZOGM-KRWDZBQOSA-N 2 1 303.450 2.968 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000677475035 544495326 /nfs/dbraw/zinc/49/53/26/544495326.db2.gz LCYHPVPHAVEEEW-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CC1(C)C[C@H](NCC[NH+]2CCCC2)C[N@@H+]1Cc1ccccc1 ZINC000677803962 544543852 /nfs/dbraw/zinc/54/38/52/544543852.db2.gz CLAQZUHSZSGGSE-SFHVURJKSA-N 2 1 301.478 2.725 20 0 DFADMP CC1(C)C[C@H](NCC[NH+]2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000677803962 544543856 /nfs/dbraw/zinc/54/38/56/544543856.db2.gz CLAQZUHSZSGGSE-SFHVURJKSA-N 2 1 301.478 2.725 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](c2cnn(C)c2)C1 ZINC000678074211 544594446 /nfs/dbraw/zinc/59/44/46/544594446.db2.gz CJAOXBYRGMLVME-MRXNPFEDSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2cnn(C)c2)C1 ZINC000678074211 544594448 /nfs/dbraw/zinc/59/44/48/544594448.db2.gz CJAOXBYRGMLVME-MRXNPFEDSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2cnn(C)c2)C1 ZINC000678074211 544594450 /nfs/dbraw/zinc/59/44/50/544594450.db2.gz CJAOXBYRGMLVME-MRXNPFEDSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1nnc([C@H]2CCC[N@@H+](CCCCn3ccnc3C)C2)o1 ZINC000678074610 544594679 /nfs/dbraw/zinc/59/46/79/544594679.db2.gz QLOBPEXBVMFEFR-HNNXBMFYSA-N 2 1 303.410 2.543 20 0 DFADMP Cc1nnc([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)o1 ZINC000678074610 544594687 /nfs/dbraw/zinc/59/46/87/544594687.db2.gz QLOBPEXBVMFEFR-HNNXBMFYSA-N 2 1 303.410 2.543 20 0 DFADMP CCCN1CCC([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000678773238 544719054 /nfs/dbraw/zinc/71/90/54/544719054.db2.gz HPDXHPIHWJDTQY-UHFFFAOYSA-N 2 1 316.493 2.762 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000679025462 544769919 /nfs/dbraw/zinc/76/99/19/544769919.db2.gz SNKBIORBLIXCLU-ZBFHGGJFSA-N 2 1 312.417 2.513 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000679039064 544773223 /nfs/dbraw/zinc/77/32/23/544773223.db2.gz XFYYWZUFTCZUBU-QZTJIDSGSA-N 2 1 306.425 2.508 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@@H](C)C1 ZINC000679072871 544779565 /nfs/dbraw/zinc/77/95/65/544779565.db2.gz DTHNAJXUFFPCCR-KKUMJFAQSA-N 2 1 304.425 2.901 20 0 DFADMP CSc1ccccc1C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000679671395 544896072 /nfs/dbraw/zinc/89/60/72/544896072.db2.gz IMSIWINPPLHRSB-KRWDZBQOSA-N 2 1 319.518 2.620 20 0 DFADMP CSc1ccccc1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000679671395 544896075 /nfs/dbraw/zinc/89/60/75/544896075.db2.gz IMSIWINPPLHRSB-KRWDZBQOSA-N 2 1 319.518 2.620 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2N2CCCC2)[C@@H](C)C1 ZINC000679723045 544906335 /nfs/dbraw/zinc/90/63/35/544906335.db2.gz HQNHVOXXLIJUGQ-YJBOKZPZSA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2N2CCCC2)[C@@H](C)C1 ZINC000679723045 544906338 /nfs/dbraw/zinc/90/63/38/544906338.db2.gz HQNHVOXXLIJUGQ-YJBOKZPZSA-N 2 1 316.493 2.810 20 0 DFADMP CCO[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000680326567 544990090 /nfs/dbraw/zinc/99/00/90/544990090.db2.gz NQYSPXYOXWBUOY-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000680330567 544991609 /nfs/dbraw/zinc/99/16/09/544991609.db2.gz YZKOHMHWZVNUGI-GOSISDBHSA-N 2 1 322.416 2.609 20 0 DFADMP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000680253993 544977738 /nfs/dbraw/zinc/97/77/38/544977738.db2.gz MKUGCQOXOOMKMD-AWEZNQCLSA-N 2 1 316.449 2.741 20 0 DFADMP Cc1cc(N2CC[N@@H+](CCO)C(C)(C)C2)c2cc(F)ccc2[nH+]1 ZINC000302541899 230290134 /nfs/dbraw/zinc/29/01/34/230290134.db2.gz NZCFROBFNLMBNA-UHFFFAOYSA-N 2 1 317.408 2.575 20 0 DFADMP Cc1cc(N2CCN(CC[N@H+](C)Cc3ccccc3)CC2)cc[nH+]1 ZINC000302558555 230295251 /nfs/dbraw/zinc/29/52/51/230295251.db2.gz KRRKVVUDZYSFAR-UHFFFAOYSA-N 2 1 324.472 2.644 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000068722547 425919435 /nfs/dbraw/zinc/91/94/35/425919435.db2.gz JOQQDWTVBACDNW-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000068722547 425919436 /nfs/dbraw/zinc/91/94/36/425919436.db2.gz JOQQDWTVBACDNW-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CCC[NH+]1CCC(N2CC[NH+](Cc3ccc(C)o3)CC2)CC1 ZINC000124459374 425921168 /nfs/dbraw/zinc/92/11/68/425921168.db2.gz NCTSTNAXOOXDOH-UHFFFAOYSA-N 2 1 305.466 2.580 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000124506328 425923358 /nfs/dbraw/zinc/92/33/58/425923358.db2.gz MZXMXIGBLGTSEN-OAHLLOKOSA-N 2 1 307.457 2.750 20 0 DFADMP Cc1cccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000124528636 425924233 /nfs/dbraw/zinc/92/42/33/425924233.db2.gz NOMUOGBCUPKKBE-KRWDZBQOSA-N 2 1 303.494 2.919 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC2OCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000124584252 425927786 /nfs/dbraw/zinc/92/77/86/425927786.db2.gz ZEQQVPHPWOQRMJ-SJLPKXTDSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCC2OCCO2)CC[N@H+]1Cc1ccccc1 ZINC000124584252 425927789 /nfs/dbraw/zinc/92/77/89/425927789.db2.gz ZEQQVPHPWOQRMJ-SJLPKXTDSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCC2OCCO2)CC[NH+]1Cc1ccccc1 ZINC000124584252 425927791 /nfs/dbraw/zinc/92/77/91/425927791.db2.gz ZEQQVPHPWOQRMJ-SJLPKXTDSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCC2OCCO2)CC[NH+]1Cc1ccccc1 ZINC000124584252 425927794 /nfs/dbraw/zinc/92/77/94/425927794.db2.gz ZEQQVPHPWOQRMJ-SJLPKXTDSA-N 2 1 318.461 2.734 20 0 DFADMP COC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C1CCOCC1 ZINC000187778028 267874971 /nfs/dbraw/zinc/87/49/71/267874971.db2.gz NSKWVSUFFFWJOJ-WMZOPIPTSA-N 2 1 312.498 2.530 20 0 DFADMP CCSCC[C@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192771569 268048066 /nfs/dbraw/zinc/04/80/66/268048066.db2.gz HFNJLQHHOUROOD-KRWDZBQOSA-N 2 1 315.571 2.866 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000192851040 268051972 /nfs/dbraw/zinc/05/19/72/268051972.db2.gz OOTONAPVHLGERK-APWZRJJASA-N 2 1 317.477 2.760 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1)c1ccccc1 ZINC000195291305 268132013 /nfs/dbraw/zinc/13/20/13/268132013.db2.gz ZQPLAAHLDSSWQV-INIZCTEOSA-N 2 1 317.477 2.715 20 0 DFADMP C[N@H+](CCc1ccc(Br)cc1)CC[C@@H]1CC[NH2+]C1 ZINC000258861279 268168601 /nfs/dbraw/zinc/16/86/01/268168601.db2.gz ABYXBQIITMDLSC-AWEZNQCLSA-N 2 1 311.267 2.923 20 0 DFADMP CCOc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000266639657 268177965 /nfs/dbraw/zinc/17/79/65/268177965.db2.gz AEMIQFKABFLJRP-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000266639657 268177967 /nfs/dbraw/zinc/17/79/67/268177967.db2.gz AEMIQFKABFLJRP-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000266639657 268177969 /nfs/dbraw/zinc/17/79/69/268177969.db2.gz AEMIQFKABFLJRP-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000266639657 268177972 /nfs/dbraw/zinc/17/79/72/268177972.db2.gz AEMIQFKABFLJRP-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000269026411 268187608 /nfs/dbraw/zinc/18/76/08/268187608.db2.gz QPNQUGCBLCBCHK-YCPHGPKFSA-N 2 1 304.434 2.809 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000269026411 268187611 /nfs/dbraw/zinc/18/76/11/268187611.db2.gz QPNQUGCBLCBCHK-YCPHGPKFSA-N 2 1 304.434 2.809 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270867211 268228912 /nfs/dbraw/zinc/22/89/12/268228912.db2.gz LCGVLJKOJBMFIT-MSOLQXFVSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccc(F)cc1 ZINC000270867211 268228915 /nfs/dbraw/zinc/22/89/15/268228915.db2.gz LCGVLJKOJBMFIT-MSOLQXFVSA-N 2 1 317.408 2.919 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1C[C@@H](O)C[C@H]1c1cc(F)ccc1F ZINC000270992256 268245075 /nfs/dbraw/zinc/24/50/75/268245075.db2.gz IKXMRFRDRKWFRP-KEYYUXOJSA-N 2 1 310.388 2.557 20 0 DFADMP C=Cn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000278945917 268268146 /nfs/dbraw/zinc/26/81/46/268268146.db2.gz YLIZWZRJVNZOIV-LPHOPBHVSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000278945917 268268148 /nfs/dbraw/zinc/26/81/48/268268148.db2.gz YLIZWZRJVNZOIV-LPHOPBHVSA-N 2 1 310.445 2.984 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cc2ccccc2o1 ZINC000292699175 268287096 /nfs/dbraw/zinc/28/70/96/268287096.db2.gz AIUHERIASLDWKY-DOTOQJQBSA-N 2 1 314.429 2.884 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1cc2ccccc2o1 ZINC000292699175 268287100 /nfs/dbraw/zinc/28/71/00/268287100.db2.gz AIUHERIASLDWKY-DOTOQJQBSA-N 2 1 314.429 2.884 20 0 DFADMP CCN(CCC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000300201183 268320925 /nfs/dbraw/zinc/32/09/25/268320925.db2.gz PESMTACBVNMYJK-CABCVRRESA-N 2 1 313.486 2.706 20 0 DFADMP CC[NH+](CC)C[C@@H](C)[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000309945209 268336773 /nfs/dbraw/zinc/33/67/73/268336773.db2.gz CYIVLNLVFXPXPN-CYBMUJFWSA-N 2 1 301.475 2.610 20 0 DFADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337736 268339459 /nfs/dbraw/zinc/33/94/59/268339459.db2.gz JSAPJTSAZXDWBC-BXUZGUMPSA-N 2 1 302.340 2.816 20 0 DFADMP C[C@H](c1ccc(C(F)(F)F)cc1)[N@H+]1CCCO[C@H](C[NH3+])C1 ZINC000313337736 268339460 /nfs/dbraw/zinc/33/94/60/268339460.db2.gz JSAPJTSAZXDWBC-BXUZGUMPSA-N 2 1 302.340 2.816 20 0 DFADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313361456 268339822 /nfs/dbraw/zinc/33/98/22/268339822.db2.gz UJMMYTGJPKKXMB-FZMZJTMJSA-N 2 1 318.339 2.696 20 0 DFADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@H+]1CCCO[C@@H](C[NH3+])C1 ZINC000313361456 268339823 /nfs/dbraw/zinc/33/98/23/268339823.db2.gz UJMMYTGJPKKXMB-FZMZJTMJSA-N 2 1 318.339 2.696 20 0 DFADMP Fc1cccc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)c1 ZINC000323936077 268350133 /nfs/dbraw/zinc/35/01/33/268350133.db2.gz ZAUONXFWVWZZMP-GASCZTMLSA-N 2 1 315.392 2.912 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124807428 425939097 /nfs/dbraw/zinc/93/90/97/425939097.db2.gz VAOZAMPYGWQFCR-DTDBQYNISA-N 2 1 307.457 2.747 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000107368214 425989363 /nfs/dbraw/zinc/98/93/63/425989363.db2.gz IQUJDBRHBPGLGU-IBGZPJMESA-N 2 1 315.505 2.824 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)cc(C)cc3C)C2)CC1 ZINC000107368213 425989632 /nfs/dbraw/zinc/98/96/32/425989632.db2.gz IQUJDBRHBPGLGU-LJQANCHMSA-N 2 1 315.505 2.824 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000125796675 425991609 /nfs/dbraw/zinc/99/16/09/425991609.db2.gz NFTWCIYJZZYZSW-CYBMUJFWSA-N 2 1 314.433 2.746 20 0 DFADMP C1C[C@@H]2C[C@@H]([NH2+][C@@H]3CCOC4(CCSCC4)C3)CC[N@H+]2C1 ZINC000158071108 425940455 /nfs/dbraw/zinc/94/04/55/425940455.db2.gz HTSVJADNNBVBQV-ARFHVFGLSA-N 2 1 310.507 2.648 20 0 DFADMP CN(C(=O)C1CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124849730 425941302 /nfs/dbraw/zinc/94/13/02/425941302.db2.gz VUAUSNRYERDNNN-MSOLQXFVSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](C(=O)NC1CC1)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000159032252 425952412 /nfs/dbraw/zinc/95/24/12/425952412.db2.gz OVFURNXWNKZGNE-CVEARBPZSA-N 2 1 321.509 2.630 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC(C)(C)[NH+](C)C)cc1)C(C)C ZINC000159080584 425954010 /nfs/dbraw/zinc/95/40/10/425954010.db2.gz YEEYKNCFFOJKIT-UHFFFAOYSA-N 2 1 319.493 2.987 20 0 DFADMP CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000104966852 425967172 /nfs/dbraw/zinc/96/71/72/425967172.db2.gz VGWBHPJHWUPICO-LSDHHAIUSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070174123 425968981 /nfs/dbraw/zinc/96/89/81/425968981.db2.gz GMBUBVOVNHVZNV-STQMWFEESA-N 2 1 309.841 2.728 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2csc(-c3ccccn3)n2)C1 ZINC000070170490 425969043 /nfs/dbraw/zinc/96/90/43/425969043.db2.gz HOYUFEFVPGXTHV-ZDUSSCGKSA-N 2 1 302.447 2.766 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2ccccc2F)CC1 ZINC000125458816 425973027 /nfs/dbraw/zinc/97/30/27/425973027.db2.gz WEKQSZIEZXVRIN-UHFFFAOYSA-N 2 1 316.424 2.933 20 0 DFADMP Cc1nc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)no1 ZINC000125500538 425975393 /nfs/dbraw/zinc/97/53/93/425975393.db2.gz WUAXCEOTELUXBH-UHFFFAOYSA-N 2 1 303.410 2.543 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000070860916 425976684 /nfs/dbraw/zinc/97/66/84/425976684.db2.gz RSXQISFPHPCDOF-INIZCTEOSA-N 2 1 312.417 2.745 20 0 DFADMP CCc1cc(N2CC[C@H]([NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000125574985 425979169 /nfs/dbraw/zinc/97/91/69/425979169.db2.gz UMKLKKPEEXBAGA-INIZCTEOSA-N 2 1 311.429 2.708 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1OC ZINC000126658779 426030490 /nfs/dbraw/zinc/03/04/90/426030490.db2.gz QVPLBDIGSZKIQE-HZPDHXFCSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1OC ZINC000126658779 426030493 /nfs/dbraw/zinc/03/04/93/426030493.db2.gz QVPLBDIGSZKIQE-HZPDHXFCSA-N 2 1 304.434 2.810 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000161665412 426034638 /nfs/dbraw/zinc/03/46/38/426034638.db2.gz HABVWHPPCWYCHD-YQFWSFKMSA-N 2 1 321.465 2.785 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CC1 ZINC000126742800 426034955 /nfs/dbraw/zinc/03/49/55/426034955.db2.gz FYYQKQONPVAQDA-LJQANCHMSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000126792659 426035912 /nfs/dbraw/zinc/03/59/12/426035912.db2.gz NCTIZUSWRQWTFO-OWCLPIDISA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCOC1 ZINC000126792659 426035913 /nfs/dbraw/zinc/03/59/13/426035913.db2.gz NCTIZUSWRQWTFO-OWCLPIDISA-N 2 1 308.491 2.975 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)cn1 ZINC000126809886 426037714 /nfs/dbraw/zinc/03/77/14/426037714.db2.gz CYWXRAKPIQAFQX-NVXWUHKLSA-N 2 1 304.482 2.748 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@H]2C)cn1 ZINC000126809886 426037718 /nfs/dbraw/zinc/03/77/18/426037718.db2.gz CYWXRAKPIQAFQX-NVXWUHKLSA-N 2 1 304.482 2.748 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000111230879 426039468 /nfs/dbraw/zinc/03/94/68/426039468.db2.gz WLZHCYOLPNTTRK-HKUYNNGSSA-N 2 1 301.478 2.850 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000074087869 426040234 /nfs/dbraw/zinc/04/02/34/426040234.db2.gz XZMMATAJQPDLDU-MQVJKMGUSA-N 2 1 318.465 2.528 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000074087869 426040236 /nfs/dbraw/zinc/04/02/36/426040236.db2.gz XZMMATAJQPDLDU-MQVJKMGUSA-N 2 1 318.465 2.528 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000127036234 426048454 /nfs/dbraw/zinc/04/84/54/426048454.db2.gz JXUDQWSFQRXNEM-IBGZPJMESA-N 2 1 318.461 2.632 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000127036234 426048457 /nfs/dbraw/zinc/04/84/57/426048457.db2.gz JXUDQWSFQRXNEM-IBGZPJMESA-N 2 1 318.461 2.632 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(NCCOC)cc2)[C@H](C)C1 ZINC000127060480 426049644 /nfs/dbraw/zinc/04/96/44/426049644.db2.gz JRVZFCZSEWIVFF-CRAIPNDOSA-N 2 1 305.466 2.565 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162181417 426055420 /nfs/dbraw/zinc/05/54/20/426055420.db2.gz GGERRKVELQDFOZ-AEFFLSMTSA-N 2 1 310.482 2.521 20 0 DFADMP CC[N@@H+](CC(=O)Nc1ccc(-n2ccnc2)c(Cl)c1)C1CC1 ZINC000126241093 426011163 /nfs/dbraw/zinc/01/11/63/426011163.db2.gz VYPXAWFWEZZYGP-UHFFFAOYSA-N 2 1 318.808 2.949 20 0 DFADMP C[N@H+](CCC(=O)Nc1ccc(F)cc1)CC[C@H]1CCCC[NH+]1C ZINC000075860698 426088359 /nfs/dbraw/zinc/08/83/59/426088359.db2.gz XLODDOMUMLDTFT-QGZVFWFLSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(F)cc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860698 426088363 /nfs/dbraw/zinc/08/83/63/426088363.db2.gz XLODDOMUMLDTFT-QGZVFWFLSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(F)cc1)CC[C@H]1CCCC[N@H+]1C ZINC000075860698 426088366 /nfs/dbraw/zinc/08/83/66/426088366.db2.gz XLODDOMUMLDTFT-QGZVFWFLSA-N 2 1 321.440 2.961 20 0 DFADMP C[N@H+](CCC(=O)Nc1ccccc1F)CC[C@H]1CCCC[NH+]1C ZINC000075860160 426088860 /nfs/dbraw/zinc/08/88/60/426088860.db2.gz RWTYBCVBOUTJHF-OAHLLOKOSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1F)CC[C@H]1CCCC[N@@H+]1C ZINC000075860160 426088863 /nfs/dbraw/zinc/08/88/63/426088863.db2.gz RWTYBCVBOUTJHF-OAHLLOKOSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1F)CC[C@H]1CCCC[N@H+]1C ZINC000075860160 426088864 /nfs/dbraw/zinc/08/88/64/426088864.db2.gz RWTYBCVBOUTJHF-OAHLLOKOSA-N 2 1 321.440 2.961 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000076001277 426092254 /nfs/dbraw/zinc/09/22/54/426092254.db2.gz HDIWVGYVBKJJRO-MRXNPFEDSA-N 2 1 304.434 2.637 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(C(=O)OC)cc2)C1 ZINC000076001277 426092256 /nfs/dbraw/zinc/09/22/56/426092256.db2.gz HDIWVGYVBKJJRO-MRXNPFEDSA-N 2 1 304.434 2.637 20 0 DFADMP COc1cc(OC)cc([C@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)c1 ZINC000163237525 426093408 /nfs/dbraw/zinc/09/34/08/426093408.db2.gz AFKLBBUEGZNNHL-RDJZCZTQSA-N 2 1 318.461 2.977 20 0 DFADMP COc1cc(OC)cc([C@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)c1 ZINC000163237525 426093410 /nfs/dbraw/zinc/09/34/10/426093410.db2.gz AFKLBBUEGZNNHL-RDJZCZTQSA-N 2 1 318.461 2.977 20 0 DFADMP COc1cc(OC)cc([C@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)c1 ZINC000163237525 426093413 /nfs/dbraw/zinc/09/34/13/426093413.db2.gz AFKLBBUEGZNNHL-RDJZCZTQSA-N 2 1 318.461 2.977 20 0 DFADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000127945213 426094618 /nfs/dbraw/zinc/09/46/18/426094618.db2.gz AVSNHEQSLUZTDZ-SJORKVTESA-N 2 1 317.477 2.541 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@@H](C)C1CCCCC1 ZINC000128066225 426099596 /nfs/dbraw/zinc/09/95/96/426099596.db2.gz GVSUZWVDCIBOKA-RYRKJORJSA-N 2 1 323.525 2.768 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000163462496 426099808 /nfs/dbraw/zinc/09/98/08/426099808.db2.gz RKJVGAWDHWTAIZ-KRWDZBQOSA-N 3 1 302.466 2.610 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H](CNc2cccc(C)n2)C1 ZINC000163461410 426100460 /nfs/dbraw/zinc/10/04/60/426100460.db2.gz XRTAKXWBDZGJEQ-KRWDZBQOSA-N 2 1 313.449 2.719 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000163461410 426100463 /nfs/dbraw/zinc/10/04/63/426100463.db2.gz XRTAKXWBDZGJEQ-KRWDZBQOSA-N 3 1 313.449 2.719 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000163461410 426100464 /nfs/dbraw/zinc/10/04/64/426100464.db2.gz XRTAKXWBDZGJEQ-KRWDZBQOSA-N 3 1 313.449 2.719 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000163846778 426110179 /nfs/dbraw/zinc/11/01/79/426110179.db2.gz HZMVOXWOBZRMMJ-GJYPPUQNSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000163846778 426110181 /nfs/dbraw/zinc/11/01/81/426110181.db2.gz HZMVOXWOBZRMMJ-GJYPPUQNSA-N 2 1 312.461 2.981 20 0 DFADMP Brc1c[nH+]ccc1N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000163948174 426111025 /nfs/dbraw/zinc/11/10/25/426111025.db2.gz XJTVFHVFDBMSJJ-ZDUSSCGKSA-N 2 1 310.239 2.813 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2cccc(OC(C)C)c2)[C@H](C)C1 ZINC000128317978 426112243 /nfs/dbraw/zinc/11/22/43/426112243.db2.gz JMQXFMFBDIECCF-MNEFBYGVSA-N 2 1 320.477 2.827 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCCF)CC1 ZINC000337990642 268593366 /nfs/dbraw/zinc/59/33/66/268593366.db2.gz DMMFGHSDWMXTDX-QZTJIDSGSA-N 2 1 313.505 2.768 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCC(=O)Nc1cccc(Cl)c1 ZINC000128492408 426119924 /nfs/dbraw/zinc/11/99/24/426119924.db2.gz AXINEVPDXFTGHI-HNNXBMFYSA-N 2 1 311.857 2.974 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000165996091 426125330 /nfs/dbraw/zinc/12/53/30/426125330.db2.gz NIHPARXKHBWQLZ-KRWDZBQOSA-N 2 1 305.466 2.516 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000166352505 426126871 /nfs/dbraw/zinc/12/68/71/426126871.db2.gz PJKHYMALLWUQMU-BQFCYCMXSA-N 2 1 317.477 2.559 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000128663323 426128430 /nfs/dbraw/zinc/12/84/30/426128430.db2.gz KRZIGDDYMRTNMR-OAHLLOKOSA-N 2 1 309.523 2.989 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCC2 ZINC000166509839 426129178 /nfs/dbraw/zinc/12/91/78/426129178.db2.gz JMHWVSWYLGPSKJ-HXUWFJFHSA-N 2 1 315.505 2.990 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000127613988 426076995 /nfs/dbraw/zinc/07/69/95/426076995.db2.gz NZWHGUVCTLHUNO-LJQANCHMSA-N 2 1 313.445 2.855 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](Cc1ccccc1)[C@H](CO)C1CC1 ZINC000127613988 426076997 /nfs/dbraw/zinc/07/69/97/426076997.db2.gz NZWHGUVCTLHUNO-LJQANCHMSA-N 2 1 313.445 2.855 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000162790150 426077203 /nfs/dbraw/zinc/07/72/03/426077203.db2.gz KLTNDJSITCTUPZ-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000162790150 426077204 /nfs/dbraw/zinc/07/72/04/426077204.db2.gz KLTNDJSITCTUPZ-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(F)cc3)CC[C@@H]21 ZINC000162790150 426077208 /nfs/dbraw/zinc/07/72/08/426077208.db2.gz KLTNDJSITCTUPZ-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000162901785 426082522 /nfs/dbraw/zinc/08/25/22/426082522.db2.gz ABIDSZQDBUIYMX-LPHOPBHVSA-N 3 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000162901785 426082524 /nfs/dbraw/zinc/08/25/24/426082524.db2.gz ABIDSZQDBUIYMX-LPHOPBHVSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000162901785 426082527 /nfs/dbraw/zinc/08/25/27/426082527.db2.gz ABIDSZQDBUIYMX-LPHOPBHVSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000162901785 426082531 /nfs/dbraw/zinc/08/25/31/426082531.db2.gz ABIDSZQDBUIYMX-LPHOPBHVSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000162901421 426082558 /nfs/dbraw/zinc/08/25/58/426082558.db2.gz ABIDSZQDBUIYMX-VQIMIIECSA-N 3 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000162901421 426082561 /nfs/dbraw/zinc/08/25/61/426082561.db2.gz ABIDSZQDBUIYMX-VQIMIIECSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000162901421 426082563 /nfs/dbraw/zinc/08/25/63/426082563.db2.gz ABIDSZQDBUIYMX-VQIMIIECSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000162901421 426082566 /nfs/dbraw/zinc/08/25/66/426082566.db2.gz ABIDSZQDBUIYMX-VQIMIIECSA-N 2 1 301.478 2.855 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000075835540 426086000 /nfs/dbraw/zinc/08/60/00/426086000.db2.gz BKZXZOHWWANQGB-KRWDZBQOSA-N 2 1 310.482 2.918 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1cccc(Br)c1 ZINC000131890904 426167190 /nfs/dbraw/zinc/16/71/90/426167190.db2.gz RJDULYZQLAYLKZ-YPMHNXCESA-N 2 1 313.239 2.640 20 0 DFADMP C[C@@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCC(C)CC1 ZINC000116397328 426188644 /nfs/dbraw/zinc/18/86/44/426188644.db2.gz JAGDZBGJIHQOOW-HZPDHXFCSA-N 2 1 311.514 2.589 20 0 DFADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)N1CCCCCC1 ZINC000116397230 426188993 /nfs/dbraw/zinc/18/89/93/426188993.db2.gz VUPLKVMZLQANCH-JKSUJKDBSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NC1CCCCC1 ZINC000116397314 426189130 /nfs/dbraw/zinc/18/91/30/426189130.db2.gz CYRUYPJJVVUYIW-GOEBONIOSA-N 2 1 311.514 2.780 20 0 DFADMP c1ccc(CN2CCO[C@@H](CNc3[nH]c4ccccc4[nH+]3)C2)cc1 ZINC000134862946 426196962 /nfs/dbraw/zinc/19/69/62/426196962.db2.gz LYGHVRKTWSVOBG-INIZCTEOSA-N 2 1 322.412 2.876 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000081096856 426219976 /nfs/dbraw/zinc/21/99/76/426219976.db2.gz IYFYFZIOFUAKGC-PBHICJAKSA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000081096856 426219979 /nfs/dbraw/zinc/21/99/79/426219979.db2.gz IYFYFZIOFUAKGC-PBHICJAKSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000081096856 426219982 /nfs/dbraw/zinc/21/99/82/426219982.db2.gz IYFYFZIOFUAKGC-PBHICJAKSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000081096856 426219983 /nfs/dbraw/zinc/21/99/83/426219983.db2.gz IYFYFZIOFUAKGC-PBHICJAKSA-N 2 1 304.434 2.635 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC[N@H+]1C ZINC000151040351 426274164 /nfs/dbraw/zinc/27/41/64/426274164.db2.gz CPRANKFWHOXAJD-DOTOQJQBSA-N 2 1 315.461 2.776 20 0 DFADMP COC(=O)c1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000136311640 426239320 /nfs/dbraw/zinc/23/93/20/426239320.db2.gz DZIYJQMWJHYCKC-UHFFFAOYSA-N 2 1 301.390 2.500 20 0 DFADMP COC(=O)c1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000136311640 426239322 /nfs/dbraw/zinc/23/93/22/426239322.db2.gz DZIYJQMWJHYCKC-UHFFFAOYSA-N 2 1 301.390 2.500 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841816 426248442 /nfs/dbraw/zinc/24/84/42/426248442.db2.gz APPHUGFOWZZFPS-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841816 426248444 /nfs/dbraw/zinc/24/84/44/426248444.db2.gz APPHUGFOWZZFPS-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841816 426248447 /nfs/dbraw/zinc/24/84/47/426248447.db2.gz APPHUGFOWZZFPS-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP CCOC(=O)CC1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000119068886 426259453 /nfs/dbraw/zinc/25/94/53/426259453.db2.gz SZRQGVVJFDAJKE-UHFFFAOYSA-N 2 1 307.438 2.637 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000174642956 426261270 /nfs/dbraw/zinc/26/12/70/426261270.db2.gz RBICWMPZGPFPQS-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP CCC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000174642956 426261273 /nfs/dbraw/zinc/26/12/73/426261273.db2.gz RBICWMPZGPFPQS-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP CCC[NH+](CC)CCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000174642956 426261275 /nfs/dbraw/zinc/26/12/75/426261275.db2.gz RBICWMPZGPFPQS-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119113459 426263491 /nfs/dbraw/zinc/26/34/91/426263491.db2.gz JVPHIVISLZFTGN-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119113459 426263494 /nfs/dbraw/zinc/26/34/94/426263494.db2.gz JVPHIVISLZFTGN-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119113459 426263498 /nfs/dbraw/zinc/26/34/98/426263498.db2.gz JVPHIVISLZFTGN-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113459 426263501 /nfs/dbraw/zinc/26/35/01/426263501.db2.gz JVPHIVISLZFTGN-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119113459 426263503 /nfs/dbraw/zinc/26/35/03/426263503.db2.gz JVPHIVISLZFTGN-IZBJGVDFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174894913 426267499 /nfs/dbraw/zinc/26/74/99/426267499.db2.gz AKDUIXMUIRCLOA-HKUYNNGSSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174894913 426267501 /nfs/dbraw/zinc/26/75/01/426267501.db2.gz AKDUIXMUIRCLOA-HKUYNNGSSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@@H](c1ccccc1F)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174898931 426267764 /nfs/dbraw/zinc/26/77/64/426267764.db2.gz MNEYRGKEOISRFR-IRXDYDNUSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H](c1ccccc1F)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174898931 426267767 /nfs/dbraw/zinc/26/77/67/426267767.db2.gz MNEYRGKEOISRFR-IRXDYDNUSA-N 2 1 319.468 2.989 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000152351356 426339396 /nfs/dbraw/zinc/33/93/96/426339396.db2.gz STGYOIDWDDAEEC-IXDOHACOSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H](C)c2ccccn2)[C@H](C)C1 ZINC000152351356 426339397 /nfs/dbraw/zinc/33/93/97/426339397.db2.gz STGYOIDWDDAEEC-IXDOHACOSA-N 2 1 305.466 2.869 20 0 DFADMP C[NH+](C)CC1CCC(NC(=O)[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000119848791 426303725 /nfs/dbraw/zinc/30/37/25/426303725.db2.gz IWRLEOZDJVBCJX-VJFUWPCTSA-N 2 1 317.477 2.526 20 0 DFADMP C[N@@H+](CCC[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)Cc1ccccc1 ZINC000151731438 426309583 /nfs/dbraw/zinc/30/95/83/426309583.db2.gz MRYDUGFUWCUMGJ-KSZLIROESA-N 2 1 302.462 2.912 20 0 DFADMP CCOc1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1OCC ZINC000120983266 426318142 /nfs/dbraw/zinc/31/81/42/426318142.db2.gz SEQYWZFQNOVEOA-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1OCC ZINC000120983266 426318144 /nfs/dbraw/zinc/31/81/44/426318144.db2.gz SEQYWZFQNOVEOA-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1OCC ZINC000120983266 426318147 /nfs/dbraw/zinc/31/81/47/426318147.db2.gz SEQYWZFQNOVEOA-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCOc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1OCC ZINC000120983266 426318149 /nfs/dbraw/zinc/31/81/49/426318149.db2.gz SEQYWZFQNOVEOA-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000152104488 426326603 /nfs/dbraw/zinc/32/66/03/426326603.db2.gz TUFONLWTNSNCRV-MDZRGWNJSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000152286018 426336331 /nfs/dbraw/zinc/33/63/31/426336331.db2.gz YVZJAPUXWUBQST-OGWHTMIXSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000152286018 426336337 /nfs/dbraw/zinc/33/63/37/426336337.db2.gz YVZJAPUXWUBQST-OGWHTMIXSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000152286018 426336340 /nfs/dbraw/zinc/33/63/40/426336340.db2.gz YVZJAPUXWUBQST-OGWHTMIXSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122853006 426398546 /nfs/dbraw/zinc/39/85/46/426398546.db2.gz DIIFGXNBRYFXFC-AWEZNQCLSA-N 2 1 316.445 2.953 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000153742613 426402855 /nfs/dbraw/zinc/40/28/55/426402855.db2.gz DPAFSEAFAXFJJT-CQSZACIVSA-N 2 1 313.401 2.646 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000121496540 426346876 /nfs/dbraw/zinc/34/68/76/426346876.db2.gz FXSUCOZYZWFAEA-ZFWWWQNUSA-N 2 1 322.415 2.886 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000152564787 426347115 /nfs/dbraw/zinc/34/71/15/426347115.db2.gz VLUVVYSMZUSMLK-ZWKOTPCHSA-N 2 1 319.493 2.772 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000152615971 426347805 /nfs/dbraw/zinc/34/78/05/426347805.db2.gz KPCRVDUKTQBQRE-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000152615971 426347808 /nfs/dbraw/zinc/34/78/08/426347808.db2.gz KPCRVDUKTQBQRE-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](CC(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)C1CC1 ZINC000152615971 426347809 /nfs/dbraw/zinc/34/78/09/426347809.db2.gz KPCRVDUKTQBQRE-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596383 426348051 /nfs/dbraw/zinc/34/80/51/426348051.db2.gz PQKLVWATHFSVCJ-MDZRGWNJSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cnn(Cc2ccccc2)c1 ZINC000152596383 426348054 /nfs/dbraw/zinc/34/80/54/426348054.db2.gz PQKLVWATHFSVCJ-MDZRGWNJSA-N 2 1 312.461 2.750 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000153768290 426405705 /nfs/dbraw/zinc/40/57/05/426405705.db2.gz RZIUWAUXIWLAEE-KRWDZBQOSA-N 2 1 318.461 2.991 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000153768290 426405709 /nfs/dbraw/zinc/40/57/09/426405709.db2.gz RZIUWAUXIWLAEE-KRWDZBQOSA-N 2 1 318.461 2.991 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccncc2)CC1 ZINC000122176710 426362420 /nfs/dbraw/zinc/36/24/20/426362420.db2.gz REARCJWRONRCLL-UHFFFAOYSA-N 2 1 305.466 2.652 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@@H+]1C ZINC000152980788 426364953 /nfs/dbraw/zinc/36/49/53/426364953.db2.gz ZDKZPBXPJSNYQR-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000152980788 426364954 /nfs/dbraw/zinc/36/49/54/426364954.db2.gz ZDKZPBXPJSNYQR-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000152980788 426364955 /nfs/dbraw/zinc/36/49/55/426364955.db2.gz ZDKZPBXPJSNYQR-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000152980788 426364956 /nfs/dbraw/zinc/36/49/56/426364956.db2.gz ZDKZPBXPJSNYQR-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000176291335 426368100 /nfs/dbraw/zinc/36/81/00/426368100.db2.gz NLFJCPKMBOPZTP-KRWDZBQOSA-N 2 1 318.465 2.696 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCO3)CC2)cc1 ZINC000153094582 426370400 /nfs/dbraw/zinc/37/04/00/426370400.db2.gz HSOFOWYEJRHKKC-GOSISDBHSA-N 2 1 306.425 2.601 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCO3)CC2)cc1 ZINC000153094484 426370407 /nfs/dbraw/zinc/37/04/07/426370407.db2.gz HSOFOWYEJRHKKC-SFHVURJKSA-N 2 1 306.425 2.601 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[N@@H+]1C ZINC000122405931 426374270 /nfs/dbraw/zinc/37/42/70/426374270.db2.gz RYBILWMGIDGDOK-WMLDXEAASA-N 2 1 315.461 2.998 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[N@H+]1C ZINC000122405931 426374273 /nfs/dbraw/zinc/37/42/73/426374273.db2.gz RYBILWMGIDGDOK-WMLDXEAASA-N 2 1 315.461 2.998 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000153199278 426375380 /nfs/dbraw/zinc/37/53/80/426375380.db2.gz LPTCDHNAPXPNRE-OAHLLOKOSA-N 2 1 321.431 2.821 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCC(F)(F)F)CC1 ZINC000153199278 426375381 /nfs/dbraw/zinc/37/53/81/426375381.db2.gz LPTCDHNAPXPNRE-OAHLLOKOSA-N 2 1 321.431 2.821 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000340353133 268968589 /nfs/dbraw/zinc/96/85/89/268968589.db2.gz YUECMLOAYXJVHZ-CRAIPNDOSA-N 2 1 320.477 2.546 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000154040222 426421136 /nfs/dbraw/zinc/42/11/36/426421136.db2.gz MYGVVAODMQKQDI-QZTJIDSGSA-N 2 1 301.478 2.677 20 0 DFADMP C[N@@H+](CCC[NH3+])CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000123352437 426428378 /nfs/dbraw/zinc/42/83/78/426428378.db2.gz NSQYUXAMJRNICG-UHFFFAOYSA-N 2 1 304.221 2.603 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC[N@H+]1C ZINC000154445886 426440589 /nfs/dbraw/zinc/44/05/89/426440589.db2.gz ODDMOTGIXNMWFN-GDBMZVCRSA-N 2 1 312.461 2.873 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1F ZINC000340698417 269001619 /nfs/dbraw/zinc/00/16/19/269001619.db2.gz OUYWQBGIXIOBOE-KBXCAEBGSA-N 2 1 306.425 2.698 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341262930 269054580 /nfs/dbraw/zinc/05/45/80/269054580.db2.gz BEJURSVJSDKSGD-PMPSAXMXSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341262930 269054582 /nfs/dbraw/zinc/05/45/82/269054582.db2.gz BEJURSVJSDKSGD-PMPSAXMXSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000123753372 426451201 /nfs/dbraw/zinc/45/12/01/426451201.db2.gz WLTXRSXDCWFYQE-KRWDZBQOSA-N 3 1 316.493 2.905 20 0 DFADMP COCC[NH+]1CCC(N[C@H]2CCCOc3ccc(F)cc32)CC1 ZINC000154832017 426457480 /nfs/dbraw/zinc/45/74/80/426457480.db2.gz BXSGKQVKRWFGQR-KRWDZBQOSA-N 2 1 322.424 2.740 20 0 DFADMP c1cncc(C[NH+]2CCC(NCC[NH+]3CCCCCC3)CC2)c1 ZINC000124009700 426465116 /nfs/dbraw/zinc/46/51/16/426465116.db2.gz KRARZUXLJYIFFS-UHFFFAOYSA-N 2 1 316.493 2.512 20 0 DFADMP CN(CC[N@@H+](C)CCSc1ccccc1)C1CC[NH+](C)CC1 ZINC000177376734 426473018 /nfs/dbraw/zinc/47/30/18/426473018.db2.gz RDGDNMVRCGOYNJ-UHFFFAOYSA-N 2 1 321.534 2.737 20 0 DFADMP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[N@@H+](C)CCCn1ccnc1 ZINC000124337372 426480797 /nfs/dbraw/zinc/48/07/97/426480797.db2.gz NTFPMHPGAKUUMV-VQHPVUNQSA-N 2 1 320.481 2.534 20 0 DFADMP CC(C)Oc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000272370937 426509791 /nfs/dbraw/zinc/50/97/91/426509791.db2.gz ASMLRXUBRAEXRC-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP C[C@@H]([NH2+]CCCn1ccnc1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272378393 426511190 /nfs/dbraw/zinc/51/11/90/426511190.db2.gz BLYZKIICOGYAQU-MJGOQNOKSA-N 2 1 312.461 2.773 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)C12CCOCC2 ZINC000186430650 426524469 /nfs/dbraw/zinc/52/44/69/426524469.db2.gz KNEUOJWOSSZHGA-KZNAEPCWSA-N 2 1 324.509 2.671 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)C12CCOCC2 ZINC000186430650 426524473 /nfs/dbraw/zinc/52/44/73/426524473.db2.gz KNEUOJWOSSZHGA-KZNAEPCWSA-N 2 1 324.509 2.671 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)[nH+]1 ZINC000195516208 426534630 /nfs/dbraw/zinc/53/46/30/426534630.db2.gz YTVATWMJOFSPSU-AEFFLSMTSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3)C2)[nH+]1 ZINC000195516208 426534632 /nfs/dbraw/zinc/53/46/32/426534632.db2.gz YTVATWMJOFSPSU-AEFFLSMTSA-N 2 1 311.429 2.857 20 0 DFADMP CC[NH+]1CCN([C@H]2CCN(c3cc(C)[nH+]c4ccccc43)C2)CC1 ZINC000264419798 426549676 /nfs/dbraw/zinc/54/96/76/426549676.db2.gz QSRNCGRPJQQEQK-KRWDZBQOSA-N 2 1 324.472 2.759 20 0 DFADMP Cc1cnc(C[NH+]2CCC(CC[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)o1 ZINC000177494550 426489571 /nfs/dbraw/zinc/48/95/71/426489571.db2.gz GPFQYRUGPHYYEL-HOTGVXAUSA-N 2 1 321.465 2.694 20 0 DFADMP Cc1cnc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000177494518 426490025 /nfs/dbraw/zinc/49/00/25/426490025.db2.gz GPFQYRUGPHYYEL-IYBDPMFKSA-N 2 1 321.465 2.694 20 0 DFADMP Cc1cnc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000177494518 426490028 /nfs/dbraw/zinc/49/00/28/426490028.db2.gz GPFQYRUGPHYYEL-IYBDPMFKSA-N 2 1 321.465 2.694 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)ccc1O ZINC000194989715 426498159 /nfs/dbraw/zinc/49/81/59/426498159.db2.gz MVUWPWBGEZTJNU-CQSZACIVSA-N 2 1 315.417 2.589 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1)C(C)C ZINC000186674419 426575151 /nfs/dbraw/zinc/57/51/51/426575151.db2.gz JMGJGUQYLCQUPW-MAUKXSAKSA-N 2 1 317.477 2.645 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(C)c2)CC1 ZINC000273030927 426578269 /nfs/dbraw/zinc/57/82/69/426578269.db2.gz FMKHKICBJPLKME-HNNXBMFYSA-N 2 1 306.450 2.765 20 0 DFADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc(C)c1O ZINC000289294777 426621070 /nfs/dbraw/zinc/62/10/70/426621070.db2.gz HMKJIKBVEMNLQJ-MRXNPFEDSA-N 2 1 320.477 2.534 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273052990 426583483 /nfs/dbraw/zinc/58/34/83/426583483.db2.gz KUXYJBBUTKCWIJ-MISYRCLQSA-N 2 1 324.472 2.810 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCNC(=O)C(C)C)cc1 ZINC000178224244 426588395 /nfs/dbraw/zinc/58/83/95/426588395.db2.gz CLAALXZJSHPPEI-CQSZACIVSA-N 2 1 314.433 2.604 20 0 DFADMP CCc1ccc(CC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000265216638 426598654 /nfs/dbraw/zinc/59/86/54/426598654.db2.gz NHVIRWODTHPTTN-KRWDZBQOSA-N 2 1 318.505 2.816 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000178295125 426601455 /nfs/dbraw/zinc/60/14/55/426601455.db2.gz DTEPEXDNXIFHLJ-DOTOQJQBSA-N 2 1 320.481 2.549 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(C)[C@@H](C)CC(C)C ZINC000178295125 426601459 /nfs/dbraw/zinc/60/14/59/426601459.db2.gz DTEPEXDNXIFHLJ-DOTOQJQBSA-N 2 1 320.481 2.549 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1 ZINC000178299014 426602144 /nfs/dbraw/zinc/60/21/44/426602144.db2.gz RQAXYAMXHZWCOK-WMLDXEAASA-N 2 1 312.417 2.683 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)Nc1ccccc1 ZINC000178299014 426602152 /nfs/dbraw/zinc/60/21/52/426602152.db2.gz RQAXYAMXHZWCOK-WMLDXEAASA-N 2 1 312.417 2.683 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccccc1F ZINC000178326828 426606744 /nfs/dbraw/zinc/60/67/44/426606744.db2.gz HYIQQBMIIDAQJG-OAHLLOKOSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccccc1F ZINC000178326828 426606754 /nfs/dbraw/zinc/60/67/54/426606754.db2.gz HYIQQBMIIDAQJG-OAHLLOKOSA-N 2 1 303.381 2.874 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000186588436 426556722 /nfs/dbraw/zinc/55/67/22/426556722.db2.gz XPADCQYYGZQDHG-UHFFFAOYSA-N 2 1 310.404 2.913 20 0 DFADMP C[C@@H]([NH2+]CCNc1ccccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272564266 426561298 /nfs/dbraw/zinc/56/12/98/426561298.db2.gz HANSSEMDMWMTBB-MJGOQNOKSA-N 2 1 324.472 2.994 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]21 ZINC000228474376 426632635 /nfs/dbraw/zinc/63/26/35/426632635.db2.gz PWGCWPHWBIVESN-KCPJHIHWSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cn4cc(Cl)ccc4n3)C[C@H]21 ZINC000228474376 426632640 /nfs/dbraw/zinc/63/26/40/426632640.db2.gz PWGCWPHWBIVESN-KCPJHIHWSA-N 2 1 304.825 2.547 20 0 DFADMP CC(C)Oc1cccc([C@@H](C)NC[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289347372 426632817 /nfs/dbraw/zinc/63/28/17/426632817.db2.gz KFJILHJONLFWBQ-PBHICJAKSA-N 2 1 306.450 2.580 20 0 DFADMP CC(C)Oc1cccc([C@@H](C)[NH2+]C[C@H](O)CN(C)C2CC2)c1 ZINC000289347372 426632821 /nfs/dbraw/zinc/63/28/21/426632821.db2.gz KFJILHJONLFWBQ-PBHICJAKSA-N 2 1 306.450 2.580 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@H]21 ZINC000228544494 426633443 /nfs/dbraw/zinc/63/34/43/426633443.db2.gz GIOJVVAMZRFQMB-APHBMKBZSA-N 2 1 306.837 2.834 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000178477931 426635952 /nfs/dbraw/zinc/63/59/52/426635952.db2.gz HJLJIAXDPDAXIR-RHSMWYFYSA-N 2 1 303.450 2.853 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H](C)[NH2+]C(C)(C)CC)c1 ZINC000273296190 426637070 /nfs/dbraw/zinc/63/70/70/426637070.db2.gz YYEYOSJMZQOEJH-OAHLLOKOSA-N 2 1 319.493 2.921 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1cccs1)C(C)(C)CO ZINC000289372848 426640158 /nfs/dbraw/zinc/64/01/58/426640158.db2.gz PKAHYSBAKYIZQE-HNNXBMFYSA-N 2 1 307.463 2.993 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C)OCCO2)CC1 ZINC000280714436 426641380 /nfs/dbraw/zinc/64/13/80/426641380.db2.gz BMZHNBXWBADALR-UHFFFAOYSA-N 2 1 318.461 2.782 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000273310782 426641513 /nfs/dbraw/zinc/64/15/13/426641513.db2.gz UGSOBISMBLSJDS-HOCLYGCPSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000273310782 426641517 /nfs/dbraw/zinc/64/15/17/426641517.db2.gz UGSOBISMBLSJDS-HOCLYGCPSA-N 2 1 303.450 2.833 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000236585975 426664360 /nfs/dbraw/zinc/66/43/60/426664360.db2.gz QCTRJPXDYDEMJW-LJQANCHMSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000236585975 426664368 /nfs/dbraw/zinc/66/43/68/426664368.db2.gz QCTRJPXDYDEMJW-LJQANCHMSA-N 2 1 313.489 2.867 20 0 DFADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000280835220 426665055 /nfs/dbraw/zinc/66/50/55/426665055.db2.gz JZYLXRUUVQVSDQ-KBPBESRZSA-N 2 1 317.433 2.991 20 0 DFADMP CC(C)[NH+]1CCC(Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000236606494 426666331 /nfs/dbraw/zinc/66/63/31/426666331.db2.gz RZNWRBWCBWXBLI-UHFFFAOYSA-N 2 1 317.477 2.804 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C2([NH3+])CCCCC2)CC1 ZINC000236708458 426678593 /nfs/dbraw/zinc/67/85/93/426678593.db2.gz QFHXVNRPOIBXFG-UHFFFAOYSA-N 2 1 309.498 2.619 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCSc2ccccc2)CC1 ZINC000265374640 426626319 /nfs/dbraw/zinc/62/63/19/426626319.db2.gz BGLNERNXMDKGIN-INIZCTEOSA-N 2 1 322.518 2.803 20 0 DFADMP C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290083994 426689545 /nfs/dbraw/zinc/68/95/45/426689545.db2.gz VHEXCXZCJHXCHM-BEFAXECRSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290083994 426689549 /nfs/dbraw/zinc/68/95/49/426689549.db2.gz VHEXCXZCJHXCHM-BEFAXECRSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H](C1CC1)[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290083994 426689551 /nfs/dbraw/zinc/68/95/51/426689551.db2.gz VHEXCXZCJHXCHM-BEFAXECRSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H](C1CC1)[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290083994 426689554 /nfs/dbraw/zinc/68/95/54/426689554.db2.gz VHEXCXZCJHXCHM-BEFAXECRSA-N 2 1 302.462 2.742 20 0 DFADMP CC(C)[N@H+](C)Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000273730524 426713599 /nfs/dbraw/zinc/71/35/99/426713599.db2.gz AHKUVKMLECVIBZ-UHFFFAOYSA-N 2 1 318.421 2.517 20 0 DFADMP CC(C)[N@@H+](C)Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000273730524 426713604 /nfs/dbraw/zinc/71/36/04/426713604.db2.gz AHKUVKMLECVIBZ-UHFFFAOYSA-N 2 1 318.421 2.517 20 0 DFADMP Cc1cccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000290100451 426692878 /nfs/dbraw/zinc/69/28/78/426692878.db2.gz WSAGPXRPVUOPJH-PKOBYXMFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000290100451 426692879 /nfs/dbraw/zinc/69/28/79/426692879.db2.gz WSAGPXRPVUOPJH-PKOBYXMFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1C ZINC000290100451 426692883 /nfs/dbraw/zinc/69/28/83/426692883.db2.gz WSAGPXRPVUOPJH-PKOBYXMFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1C ZINC000290100451 426692886 /nfs/dbraw/zinc/69/28/86/426692886.db2.gz WSAGPXRPVUOPJH-PKOBYXMFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000290100447 426693557 /nfs/dbraw/zinc/69/35/57/426693557.db2.gz WSAGPXRPVUOPJH-MJGOQNOKSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000290100447 426693559 /nfs/dbraw/zinc/69/35/59/426693559.db2.gz WSAGPXRPVUOPJH-MJGOQNOKSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1C ZINC000290100447 426693564 /nfs/dbraw/zinc/69/35/64/426693564.db2.gz WSAGPXRPVUOPJH-MJGOQNOKSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1C ZINC000290100447 426693571 /nfs/dbraw/zinc/69/35/71/426693571.db2.gz WSAGPXRPVUOPJH-MJGOQNOKSA-N 2 1 302.462 2.895 20 0 DFADMP C[C@@H](C(=O)N1CC[N@H+](C)Cc2ccccc21)[C@@H]([NH3+])c1ccccc1 ZINC000237585069 426694151 /nfs/dbraw/zinc/69/41/51/426694151.db2.gz RKYLLRLHTNSYCY-DNVCBOLYSA-N 2 1 323.440 2.801 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CCC(=O)CC3)C2)n1 ZINC000290142439 426701153 /nfs/dbraw/zinc/70/11/53/426701153.db2.gz VUVSZCRYBVVVLN-INIZCTEOSA-N 2 1 301.434 2.883 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC3CCC(=O)CC3)C2)[nH+]1 ZINC000290142439 426701155 /nfs/dbraw/zinc/70/11/55/426701155.db2.gz VUVSZCRYBVVVLN-INIZCTEOSA-N 2 1 301.434 2.883 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC3CCC(=O)CC3)C2)[nH+]1 ZINC000290142439 426701162 /nfs/dbraw/zinc/70/11/62/426701162.db2.gz VUVSZCRYBVVVLN-INIZCTEOSA-N 2 1 301.434 2.883 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000274434235 426767436 /nfs/dbraw/zinc/76/74/36/426767436.db2.gz WFUQTQVIGPYKOG-XYPHTWIQSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000274434235 426767440 /nfs/dbraw/zinc/76/74/40/426767440.db2.gz WFUQTQVIGPYKOG-XYPHTWIQSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1CC[C@H]1CCC[N@@H+]1C ZINC000245750979 426770743 /nfs/dbraw/zinc/77/07/43/426770743.db2.gz YSPSOPZFQDKLMQ-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CCN1CC[C@H]1CCC[N@H+]1C ZINC000245750979 426770747 /nfs/dbraw/zinc/77/07/47/426770747.db2.gz YSPSOPZFQDKLMQ-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@H]2CCCO2)C3)cc1 ZINC000245784362 426772133 /nfs/dbraw/zinc/77/21/33/426772133.db2.gz ZIVJNZVFJWCHRS-FCGDIQPGSA-N 2 1 300.446 2.951 20 0 DFADMP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)n2c1 ZINC000290512600 426782052 /nfs/dbraw/zinc/78/20/52/426782052.db2.gz PPEVQHHPCOGHOM-QGZVFWFLSA-N 2 1 312.461 2.806 20 0 DFADMP CC[NH+](CC)CCCCNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000266823359 426784702 /nfs/dbraw/zinc/78/47/02/426784702.db2.gz IZDKLLQLILMFMN-KRWDZBQOSA-N 2 1 319.493 2.745 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000290527369 426785258 /nfs/dbraw/zinc/78/52/58/426785258.db2.gz QKEOOGZCPCHGPJ-UHFFFAOYSA-N 2 1 324.465 2.876 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc(OC)c(OC)c(OC)c1 ZINC000290527369 426785264 /nfs/dbraw/zinc/78/52/64/426785264.db2.gz QKEOOGZCPCHGPJ-UHFFFAOYSA-N 2 1 324.465 2.876 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000266860749 426786102 /nfs/dbraw/zinc/78/61/02/426786102.db2.gz JUGADCHSBKDVFE-VBNZEHGJSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000266860749 426786106 /nfs/dbraw/zinc/78/61/06/426786106.db2.gz JUGADCHSBKDVFE-VBNZEHGJSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000266860749 426786108 /nfs/dbraw/zinc/78/61/08/426786108.db2.gz JUGADCHSBKDVFE-VBNZEHGJSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2c(F)cccc2F)[C@@H](C)C1 ZINC000266860749 426786113 /nfs/dbraw/zinc/78/61/13/426786113.db2.gz JUGADCHSBKDVFE-VBNZEHGJSA-N 2 1 312.404 2.660 20 0 DFADMP O[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cccc3nccn32)C1 ZINC000281895822 426787382 /nfs/dbraw/zinc/78/73/82/426787382.db2.gz YQKGMXONCWSJHP-IAGOWNOFSA-N 2 1 311.360 2.781 20 0 DFADMP CCOc1cc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290348724 426747604 /nfs/dbraw/zinc/74/76/04/426747604.db2.gz FYBUYJKOAYWUIA-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290348724 426747608 /nfs/dbraw/zinc/74/76/08/426747608.db2.gz FYBUYJKOAYWUIA-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000290348724 426747611 /nfs/dbraw/zinc/74/76/11/426747611.db2.gz FYBUYJKOAYWUIA-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000290348724 426747614 /nfs/dbraw/zinc/74/76/14/426747614.db2.gz FYBUYJKOAYWUIA-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CCC([NH2+]Cc2ccc3c(c2)COC(C)(C)O3)CC1 ZINC000274379044 426756378 /nfs/dbraw/zinc/75/63/78/426756378.db2.gz MHPCXFQJQIKMFB-UHFFFAOYSA-N 2 1 304.434 2.906 20 0 DFADMP COCc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290429530 426761973 /nfs/dbraw/zinc/76/19/73/426761973.db2.gz LFFQUBVZGIBALM-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](Cc3c[nH]c4nccnc34)C2)[nH+]1 ZINC000290422477 426763015 /nfs/dbraw/zinc/76/30/15/426763015.db2.gz MKDWXFUYSKIZJL-CQSZACIVSA-N 2 1 322.416 2.595 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)[nH+]1 ZINC000290422477 426763021 /nfs/dbraw/zinc/76/30/21/426763021.db2.gz MKDWXFUYSKIZJL-CQSZACIVSA-N 2 1 322.416 2.595 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000290589034 426798671 /nfs/dbraw/zinc/79/86/71/426798671.db2.gz VDIMJXDEZYOAHR-XJKSGUPXSA-N 2 1 316.474 2.977 20 0 DFADMP CN(CC[N@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccccc1 ZINC000246155354 426805537 /nfs/dbraw/zinc/80/55/37/426805537.db2.gz DLCLDAHNCCNEKP-KRWDZBQOSA-N 2 1 310.445 2.952 20 0 DFADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000290724971 426826948 /nfs/dbraw/zinc/82/69/48/426826948.db2.gz OXHDMWFKEFCFRW-IRXDYDNUSA-N 2 1 300.446 2.943 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274750863 426829842 /nfs/dbraw/zinc/82/98/42/426829842.db2.gz HKHWQZYUMGCHFP-FXAWDEMLSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@H]([NH2+]CC1=CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274750863 426829844 /nfs/dbraw/zinc/82/98/44/426829844.db2.gz HKHWQZYUMGCHFP-FXAWDEMLSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H]([NH2+]CC1=CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274750863 426829848 /nfs/dbraw/zinc/82/98/48/426829848.db2.gz HKHWQZYUMGCHFP-FXAWDEMLSA-N 2 1 313.489 2.749 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246408151 426830198 /nfs/dbraw/zinc/83/01/98/426830198.db2.gz BISDXHZKNJSAKO-DZGCQCFKSA-N 2 1 320.399 2.904 20 0 DFADMP FC(F)(F)COCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246408151 426830202 /nfs/dbraw/zinc/83/02/02/426830202.db2.gz BISDXHZKNJSAKO-DZGCQCFKSA-N 2 1 320.399 2.904 20 0 DFADMP FC(F)(F)COCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246408151 426830205 /nfs/dbraw/zinc/83/02/05/426830205.db2.gz BISDXHZKNJSAKO-DZGCQCFKSA-N 2 1 320.399 2.904 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)COc2cccc(C)c2)CC1 ZINC000267144095 426831138 /nfs/dbraw/zinc/83/11/38/426831138.db2.gz AJXKYAZXQGPWQV-GOSISDBHSA-N 2 1 320.477 2.541 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)NCCC2CCCCC2)[C@@H](C)C1 ZINC000246401550 426831189 /nfs/dbraw/zinc/83/11/89/426831189.db2.gz ANHRHCKKKWJJAL-FUHWJXTLSA-N 2 1 323.525 2.735 20 0 DFADMP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246468668 426836697 /nfs/dbraw/zinc/83/66/97/426836697.db2.gz FVYGLUJEYNXFLD-SXLOBPIMSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246468668 426836701 /nfs/dbraw/zinc/83/67/01/426836701.db2.gz FVYGLUJEYNXFLD-SXLOBPIMSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246468668 426836704 /nfs/dbraw/zinc/83/67/04/426836704.db2.gz FVYGLUJEYNXFLD-SXLOBPIMSA-N 2 1 314.473 2.539 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246477729 426837141 /nfs/dbraw/zinc/83/71/41/426837141.db2.gz HIQJSEDGURJEEI-YJBOKZPZSA-N 2 1 302.462 2.826 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246477729 426837145 /nfs/dbraw/zinc/83/71/45/426837145.db2.gz HIQJSEDGURJEEI-YJBOKZPZSA-N 2 1 302.462 2.826 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246477729 426837149 /nfs/dbraw/zinc/83/71/49/426837149.db2.gz HIQJSEDGURJEEI-YJBOKZPZSA-N 2 1 302.462 2.826 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000246553495 426845492 /nfs/dbraw/zinc/84/54/92/426845492.db2.gz UAWUPDUFOXXLJP-CABCVRRESA-N 2 1 303.450 2.855 20 0 DFADMP Cc1ccc(CC[C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282180182 426846833 /nfs/dbraw/zinc/84/68/33/426846833.db2.gz FOFQDLNAPDCUIP-SFHVURJKSA-N 2 1 317.521 2.932 20 0 DFADMP CC[NH+]1CCN(C[C@@H](C)CNc2cc[nH+]c3ccccc23)CC1 ZINC000189442166 426856481 /nfs/dbraw/zinc/85/64/81/426856481.db2.gz RUGAFHDYHUDFDU-INIZCTEOSA-N 2 1 312.461 2.920 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553572 426792963 /nfs/dbraw/zinc/79/29/63/426792963.db2.gz RXIJZXDKTIBQQN-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553572 426792968 /nfs/dbraw/zinc/79/29/68/426792968.db2.gz RXIJZXDKTIBQQN-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553572 426792972 /nfs/dbraw/zinc/79/29/72/426792972.db2.gz RXIJZXDKTIBQQN-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1)c1ccccc1 ZINC000267281403 426861847 /nfs/dbraw/zinc/86/18/47/426861847.db2.gz KVJLVMDDNZZNEW-KURKYZTESA-N 2 1 317.477 2.668 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC2([S@](C)=O)CC2)cc1 ZINC000282260769 426864177 /nfs/dbraw/zinc/86/41/77/426864177.db2.gz JZIHLYSZNVMDCG-XMHCIUCPSA-N 2 1 317.458 2.742 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550784 426869169 /nfs/dbraw/zinc/86/91/69/426869169.db2.gz YLLNQEGWHMQAPI-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550784 426869174 /nfs/dbraw/zinc/86/91/74/426869174.db2.gz YLLNQEGWHMQAPI-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550784 426869180 /nfs/dbraw/zinc/86/91/80/426869180.db2.gz YLLNQEGWHMQAPI-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550784 426869184 /nfs/dbraw/zinc/86/91/84/426869184.db2.gz YLLNQEGWHMQAPI-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550784 426869189 /nfs/dbraw/zinc/86/91/89/426869189.db2.gz YLLNQEGWHMQAPI-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP COCC1(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCC1 ZINC000291278829 426879568 /nfs/dbraw/zinc/87/95/68/426879568.db2.gz YQFFGJZDLFOEGW-GOSISDBHSA-N 2 1 317.477 2.652 20 0 DFADMP COCC1(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCC1 ZINC000291278829 426879572 /nfs/dbraw/zinc/87/95/72/426879572.db2.gz YQFFGJZDLFOEGW-GOSISDBHSA-N 2 1 317.477 2.652 20 0 DFADMP COCC1(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCC1 ZINC000291278829 426879579 /nfs/dbraw/zinc/87/95/79/426879579.db2.gz YQFFGJZDLFOEGW-GOSISDBHSA-N 2 1 317.477 2.652 20 0 DFADMP COCC1(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCC1 ZINC000291278829 426879587 /nfs/dbraw/zinc/87/95/87/426879587.db2.gz YQFFGJZDLFOEGW-GOSISDBHSA-N 2 1 317.477 2.652 20 0 DFADMP C[C@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)c1ccco1 ZINC000305114466 426880408 /nfs/dbraw/zinc/88/04/08/426880408.db2.gz FCVYUPGEZYOISK-SFHVURJKSA-N 2 1 306.450 2.874 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3sccc32)CC1 ZINC000305130332 426885364 /nfs/dbraw/zinc/88/53/64/426885364.db2.gz MQUFFCYQBHALJA-ZBFHGGJFSA-N 2 1 308.491 2.808 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@H]2C)[C@H](C)C1 ZINC000246992919 426887579 /nfs/dbraw/zinc/88/75/79/426887579.db2.gz KWGNQSMKHMVUNA-NUJGCVRESA-N 2 1 301.478 2.758 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000247000346 426888246 /nfs/dbraw/zinc/88/82/46/426888246.db2.gz KRDWPMVUCBTEFO-HUUCEWRRSA-N 2 1 317.433 2.636 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2sccc21 ZINC000305164723 426889345 /nfs/dbraw/zinc/88/93/45/426889345.db2.gz XYRCJSRUGYKQGB-HOCLYGCPSA-N 2 1 308.491 2.952 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCCOc3ccccc32)CC1(C)C ZINC000282397518 426901246 /nfs/dbraw/zinc/90/12/46/426901246.db2.gz RLPRQVFDTURJQF-KRWDZBQOSA-N 2 1 317.477 2.516 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000247139867 426907090 /nfs/dbraw/zinc/90/70/90/426907090.db2.gz QTIYVGYNRMSCCF-VROUVPMXSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000247139867 426907098 /nfs/dbraw/zinc/90/70/98/426907098.db2.gz QTIYVGYNRMSCCF-VROUVPMXSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000247139867 426907102 /nfs/dbraw/zinc/90/71/02/426907102.db2.gz QTIYVGYNRMSCCF-VROUVPMXSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139867 426907106 /nfs/dbraw/zinc/90/71/06/426907106.db2.gz QTIYVGYNRMSCCF-VROUVPMXSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139867 426907112 /nfs/dbraw/zinc/90/71/12/426907112.db2.gz QTIYVGYNRMSCCF-VROUVPMXSA-N 2 1 315.505 2.968 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](c1ccc(F)cc1)N(C)C ZINC000247177568 426910666 /nfs/dbraw/zinc/91/06/66/426910666.db2.gz VAOZAMPYGWQFCR-DTTOXWODSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000247177568 426910673 /nfs/dbraw/zinc/91/06/73/426910673.db2.gz VAOZAMPYGWQFCR-DTTOXWODSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H](c1ccc(F)cc1)[NH+](C)C ZINC000247177568 426910676 /nfs/dbraw/zinc/91/06/76/426910676.db2.gz VAOZAMPYGWQFCR-DTTOXWODSA-N 2 1 307.457 2.747 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)CC[C@H]1[NH3+] ZINC000316802361 426952040 /nfs/dbraw/zinc/95/20/40/426952040.db2.gz HVSNBAZYEUWDBX-WOSRLPQWSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)CC[C@H]1[NH3+] ZINC000316802361 426952046 /nfs/dbraw/zinc/95/20/46/426952046.db2.gz HVSNBAZYEUWDBX-WOSRLPQWSA-N 2 1 304.434 2.578 20 0 DFADMP Cc1cc2ncn(C[C@H](O)C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c2cc1C ZINC000268268786 426972583 /nfs/dbraw/zinc/97/25/83/426972583.db2.gz GUMDCTYANJIURR-IXDOHACOSA-N 2 1 313.445 2.746 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(C[C@@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000248055796 426978603 /nfs/dbraw/zinc/97/86/03/426978603.db2.gz XGYYKEZTZJBEKD-XOKHGSTOSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000248055796 426978611 /nfs/dbraw/zinc/97/86/11/426978611.db2.gz XGYYKEZTZJBEKD-XOKHGSTOSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000248055796 426978616 /nfs/dbraw/zinc/97/86/16/426978616.db2.gz XGYYKEZTZJBEKD-XOKHGSTOSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000248055796 426978621 /nfs/dbraw/zinc/97/86/21/426978621.db2.gz XGYYKEZTZJBEKD-XOKHGSTOSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3ccccc3Cl)CC[C@@H]21 ZINC000248055796 426978628 /nfs/dbraw/zinc/97/86/28/426978628.db2.gz XGYYKEZTZJBEKD-XOKHGSTOSA-N 2 1 308.853 2.790 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)CC1 ZINC000181851216 426985349 /nfs/dbraw/zinc/98/53/49/426985349.db2.gz XDVGSOJGWMJJPP-KURKYZTESA-N 2 1 324.509 2.669 20 0 DFADMP COc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1OC ZINC000314652326 426930801 /nfs/dbraw/zinc/93/08/01/426930801.db2.gz DEZSUOOWSKEPPA-ZBFHGGJFSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1OC ZINC000314652326 426930806 /nfs/dbraw/zinc/93/08/06/426930806.db2.gz DEZSUOOWSKEPPA-ZBFHGGJFSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H](C[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1)C[NH+](C)C ZINC000291662087 426943845 /nfs/dbraw/zinc/94/38/45/426943845.db2.gz FERLHIIBDYIZGH-ZDUSSCGKSA-N 2 1 306.841 2.813 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc(C(F)(F)F)s1 ZINC000337951597 427056472 /nfs/dbraw/zinc/05/64/72/427056472.db2.gz SWMPDNOGLKZQCS-UHFFFAOYSA-N 2 1 304.341 2.847 20 0 DFADMP COc1cc2c(c(C[NH2+]CCCn3cc[nH+]c3C)c1)O[C@H](C)C2 ZINC000337952606 427056823 /nfs/dbraw/zinc/05/68/23/427056823.db2.gz YYYPQARYFQDGOX-CYBMUJFWSA-N 2 1 315.417 2.703 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000181947640 426997653 /nfs/dbraw/zinc/99/76/53/426997653.db2.gz NWFGGHHXUNLPBK-DLBZAZTESA-N 2 1 324.509 2.815 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248557437 427011218 /nfs/dbraw/zinc/01/12/18/427011218.db2.gz IMPBMCLFDHGMOP-YVSFHVDLSA-N 2 1 323.525 2.922 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248557437 427011226 /nfs/dbraw/zinc/01/12/26/427011226.db2.gz IMPBMCLFDHGMOP-YVSFHVDLSA-N 2 1 323.525 2.922 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000182159581 427020166 /nfs/dbraw/zinc/02/01/66/427020166.db2.gz WNPDFAMKCRACET-MCPWVCTESA-N 2 1 310.388 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000182159581 427020174 /nfs/dbraw/zinc/02/01/74/427020174.db2.gz WNPDFAMKCRACET-MCPWVCTESA-N 2 1 310.388 2.867 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1NC1CC[NH+](C2CCC2)CC1 ZINC000295928676 427021273 /nfs/dbraw/zinc/02/12/73/427021273.db2.gz HAYWCCGBAAALIM-UHFFFAOYSA-N 2 1 303.406 2.687 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(-n2cncn2)cc1 ZINC000295948291 427023202 /nfs/dbraw/zinc/02/32/02/427023202.db2.gz LZBRTZDPPNXRTM-ZVRJUHEZSA-N 2 1 311.433 2.543 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000337900153 427026116 /nfs/dbraw/zinc/02/61/16/427026116.db2.gz PHYZQBRTNAYZSB-ZIFCJYIRSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000337900153 427026121 /nfs/dbraw/zinc/02/61/21/427026121.db2.gz PHYZQBRTNAYZSB-ZIFCJYIRSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000337900151 427026376 /nfs/dbraw/zinc/02/63/76/427026376.db2.gz PHYZQBRTNAYZSB-LMMKCTJWSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000337900151 427026383 /nfs/dbraw/zinc/02/63/83/427026383.db2.gz PHYZQBRTNAYZSB-LMMKCTJWSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000248654756 427029765 /nfs/dbraw/zinc/02/97/65/427029765.db2.gz VLJAMUWNCALMPD-HOTGVXAUSA-N 2 1 309.498 2.522 20 0 DFADMP Cc1cc(F)ccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000182272479 427044288 /nfs/dbraw/zinc/04/42/88/427044288.db2.gz YBHQQWQWIGEXME-UHFFFAOYSA-N 2 1 307.457 2.592 20 0 DFADMP CCC[NH+]1CCN(c2cc[nH+]c3cc(F)c(OC)cc32)CC1 ZINC000337933860 427046660 /nfs/dbraw/zinc/04/66/60/427046660.db2.gz ASSMTYBRSBZANG-UHFFFAOYSA-N 2 1 303.381 2.915 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000248836679 427050922 /nfs/dbraw/zinc/05/09/22/427050922.db2.gz DEHNEPPIGZXATQ-LZLYRXPVSA-N 2 1 317.477 2.625 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000248999729 427072107 /nfs/dbraw/zinc/07/21/07/427072107.db2.gz IGFWWKGRKATDMT-XYPHTWIQSA-N 2 1 310.388 2.869 20 0 DFADMP Cc1ccc(CN(C)C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000190319977 427073171 /nfs/dbraw/zinc/07/31/71/427073171.db2.gz HPGUALYANVCDFA-IBGZPJMESA-N 2 1 314.429 2.657 20 0 DFADMP CC(C)C[C@@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268820663 427128567 /nfs/dbraw/zinc/12/85/67/427128567.db2.gz HJZFTURIMKKUFO-IBGZPJMESA-N 2 1 322.468 2.829 20 0 DFADMP Cc1ncc(C[N@@H+]2CC[C@@H](Oc3cccnc3N(C)C)C2)s1 ZINC000296130252 427085113 /nfs/dbraw/zinc/08/51/13/427085113.db2.gz YZNIMZIQQBMXGC-CYBMUJFWSA-N 2 1 318.446 2.566 20 0 DFADMP Cc1ncc(CN2CC[C@@H](Oc3cccnc3N(C)C)C2)s1 ZINC000296130252 427085121 /nfs/dbraw/zinc/08/51/21/427085121.db2.gz YZNIMZIQQBMXGC-CYBMUJFWSA-N 2 1 318.446 2.566 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701085 427093144 /nfs/dbraw/zinc/09/31/44/427093144.db2.gz FPJVMZIHNPHZHE-PSBWJHGTSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268701085 427093148 /nfs/dbraw/zinc/09/31/48/427093148.db2.gz FPJVMZIHNPHZHE-PSBWJHGTSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268701085 427093151 /nfs/dbraw/zinc/09/31/51/427093151.db2.gz FPJVMZIHNPHZHE-PSBWJHGTSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000249185143 427095571 /nfs/dbraw/zinc/09/55/71/427095571.db2.gz KDMHZRUCDWJARW-XJFOESAGSA-N 2 1 308.388 2.542 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000338017773 427096313 /nfs/dbraw/zinc/09/63/13/427096313.db2.gz MCZRBHFIDQKMSW-IBGZPJMESA-N 2 1 312.461 2.836 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)C[C@@H]1C ZINC000338020298 427098902 /nfs/dbraw/zinc/09/89/02/427098902.db2.gz YAFVPZWAAMJYMJ-NUEKZKHPSA-N 2 1 307.438 2.539 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCCO3)C1 ZINC000249383477 427109898 /nfs/dbraw/zinc/10/98/98/427109898.db2.gz VTSODIWNQJSNBT-HUUCEWRRSA-N 2 1 304.434 2.840 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000268781116 427114233 /nfs/dbraw/zinc/11/42/33/427114233.db2.gz XTBXPDJEDKKPSR-VVLHAWIVSA-N 2 1 320.477 2.809 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000268798707 427118514 /nfs/dbraw/zinc/11/85/14/427118514.db2.gz GXHUBFXKPVSOQD-JKSUJKDBSA-N 2 1 317.477 2.675 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000268793063 427119336 /nfs/dbraw/zinc/11/93/36/427119336.db2.gz HCTQMDPDDWOZPN-AWEZNQCLSA-N 2 1 312.417 2.669 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000268799117 427122662 /nfs/dbraw/zinc/12/26/62/427122662.db2.gz XQUJMBWKTSCAKO-ZYSHUDEJSA-N 2 1 318.461 2.989 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000268799117 427122666 /nfs/dbraw/zinc/12/26/66/427122666.db2.gz XQUJMBWKTSCAKO-ZYSHUDEJSA-N 2 1 318.461 2.989 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000296253772 427126653 /nfs/dbraw/zinc/12/66/53/427126653.db2.gz DBMCQMCRAQAGPD-RHSMWYFYSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000296253772 427126655 /nfs/dbraw/zinc/12/66/55/427126655.db2.gz DBMCQMCRAQAGPD-RHSMWYFYSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H]1CCc2ccccc2NC1=O ZINC000248913466 427063783 /nfs/dbraw/zinc/06/37/83/427063783.db2.gz YWBPMGLRLUZPBZ-WMZOPIPTSA-N 2 1 324.428 2.609 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H]1CCc2ccccc2NC1=O ZINC000248913466 427063790 /nfs/dbraw/zinc/06/37/90/427063790.db2.gz YWBPMGLRLUZPBZ-WMZOPIPTSA-N 2 1 324.428 2.609 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268829561 427132709 /nfs/dbraw/zinc/13/27/09/427132709.db2.gz QNJFUXYXJIJUEK-AOIWGVFYSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268829561 427132717 /nfs/dbraw/zinc/13/27/17/427132717.db2.gz QNJFUXYXJIJUEK-AOIWGVFYSA-N 2 1 312.461 2.914 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000268831089 427134636 /nfs/dbraw/zinc/13/46/36/427134636.db2.gz OITKTTPIOQONDM-IBGZPJMESA-N 2 1 316.445 2.983 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000277191619 427138807 /nfs/dbraw/zinc/13/88/07/427138807.db2.gz IQAYOVZOXSSZFG-WMZOPIPTSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)OCCCO1 ZINC000277191619 427138814 /nfs/dbraw/zinc/13/88/14/427138814.db2.gz IQAYOVZOXSSZFG-WMZOPIPTSA-N 2 1 318.461 2.640 20 0 DFADMP CSC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268978016 427143372 /nfs/dbraw/zinc/14/33/72/427143372.db2.gz CJFYVTXHKKCCOL-KBAYOESNSA-N 2 1 322.518 2.743 20 0 DFADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[C@H]([NH3+])c1ccccc1 ZINC000165005709 271095025 /nfs/dbraw/zinc/09/50/25/271095025.db2.gz URWPHYXLILXWHM-QAPCUYQASA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1CCCCCC1 ZINC000174201307 271131798 /nfs/dbraw/zinc/13/17/98/271131798.db2.gz YEMDJTUQGCPKSO-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@H]1C[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000174868314 271141286 /nfs/dbraw/zinc/14/12/86/271141286.db2.gz SPTVYPVPHPOIHJ-YOEHRIQHSA-N 2 1 318.465 2.695 20 0 DFADMP C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCCC1 ZINC000175010581 271144384 /nfs/dbraw/zinc/14/43/84/271144384.db2.gz LWKLZXLBHCUFQC-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@H+]3CCCC[C@@H]3C)cc12 ZINC000237507746 271249122 /nfs/dbraw/zinc/24/91/22/271249122.db2.gz VDADURIQFYAVCA-AWEZNQCLSA-N 2 1 315.465 2.631 20 0 DFADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@@H+]3CCCC[C@@H]3C)cc12 ZINC000237507746 271249126 /nfs/dbraw/zinc/24/91/26/271249126.db2.gz VDADURIQFYAVCA-AWEZNQCLSA-N 2 1 315.465 2.631 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000329764343 427169476 /nfs/dbraw/zinc/16/94/76/427169476.db2.gz VPOZVZYUTQXCSM-GXTWGEPZSA-N 2 1 313.405 2.711 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@H]2C)cc1 ZINC000338174831 427171610 /nfs/dbraw/zinc/17/16/10/427171610.db2.gz LERIVKATDKTZPT-MRXNPFEDSA-N 2 1 317.477 2.695 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000270574144 271312355 /nfs/dbraw/zinc/31/23/55/271312355.db2.gz BMASHSPNYFCIEZ-OAHLLOKOSA-N 2 1 317.437 2.968 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H](c2noc(C(C)C)n2)C1 ZINC000270574144 271312358 /nfs/dbraw/zinc/31/23/58/271312358.db2.gz BMASHSPNYFCIEZ-OAHLLOKOSA-N 2 1 317.437 2.968 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000284472233 271339618 /nfs/dbraw/zinc/33/96/18/271339618.db2.gz VXBPMCNDYKPQSW-LMMKCTJWSA-N 2 1 317.477 2.514 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000338196210 427186041 /nfs/dbraw/zinc/18/60/41/427186041.db2.gz NIBNKRDOLYRWHK-AEFFLSMTSA-N 2 1 312.461 2.810 20 0 DFADMP C[NH+](C)CCCN[C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125362 427203460 /nfs/dbraw/zinc/20/34/60/427203460.db2.gz QHIWHKFTZVHMAI-AABGKKOBSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125362 427203466 /nfs/dbraw/zinc/20/34/66/427203466.db2.gz QHIWHKFTZVHMAI-AABGKKOBSA-N 3 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125362 427203473 /nfs/dbraw/zinc/20/34/73/427203473.db2.gz QHIWHKFTZVHMAI-AABGKKOBSA-N 3 1 315.505 2.828 20 0 DFADMP CCOCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130016 427208882 /nfs/dbraw/zinc/20/88/82/427208882.db2.gz AOALRBVAGMHLFR-GBESFXJTSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142475 427211989 /nfs/dbraw/zinc/21/19/89/427211989.db2.gz QPYJNPYVUKCFQP-VNTMZGSJSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(F)c1F ZINC000183259178 427236970 /nfs/dbraw/zinc/23/69/70/427236970.db2.gz ODJMHEGSFXQQQC-CQSZACIVSA-N 2 1 311.420 2.643 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000285473703 427243502 /nfs/dbraw/zinc/24/35/02/427243502.db2.gz KWIOWYNMJQMEJU-QGZVFWFLSA-N 2 1 320.477 2.807 20 0 DFADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cn2cc[nH+]c12 ZINC000296843707 427246926 /nfs/dbraw/zinc/24/69/26/427246926.db2.gz KBCUBOBQYOVKII-HIFRSBDPSA-N 2 1 315.421 2.589 20 0 DFADMP Cc1cc(NC(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cn2cc[nH+]c12 ZINC000296843707 427246932 /nfs/dbraw/zinc/24/69/32/427246932.db2.gz KBCUBOBQYOVKII-HIFRSBDPSA-N 2 1 315.421 2.589 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000338309199 427252181 /nfs/dbraw/zinc/25/21/81/427252181.db2.gz UPXWSAMCPRZNPY-HZPDHXFCSA-N 2 1 315.452 2.524 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000277597404 427254996 /nfs/dbraw/zinc/25/49/96/427254996.db2.gz POMGZDYFDWBSIM-YJBOKZPZSA-N 2 1 317.477 2.646 20 0 DFADMP CC(C)[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293363394 427301463 /nfs/dbraw/zinc/30/14/63/427301463.db2.gz ONLWHPSZOBVGRS-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293363394 427301468 /nfs/dbraw/zinc/30/14/68/427301468.db2.gz ONLWHPSZOBVGRS-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293363394 427301472 /nfs/dbraw/zinc/30/14/72/427301472.db2.gz ONLWHPSZOBVGRS-MOPGFXCFSA-N 2 1 302.462 2.601 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@H]([NH+]3CCCC3)C[C@H]2C)c1C ZINC000285695100 427313075 /nfs/dbraw/zinc/31/30/75/427313075.db2.gz VOKCKIVGJYXEKN-GDBMZVCRSA-N 2 1 303.450 2.766 20 0 DFADMP COc1cc(C)nc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000270374520 427338077 /nfs/dbraw/zinc/33/80/77/427338077.db2.gz ZTFSHDVELBXMIN-MRXNPFEDSA-N 2 1 300.406 2.568 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000270374520 427338083 /nfs/dbraw/zinc/33/80/83/427338083.db2.gz ZTFSHDVELBXMIN-MRXNPFEDSA-N 2 1 300.406 2.568 20 0 DFADMP CCC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000261754801 427340890 /nfs/dbraw/zinc/34/08/90/427340890.db2.gz PKCFYJSKNUAHLG-INIZCTEOSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000261754801 427340896 /nfs/dbraw/zinc/34/08/96/427340896.db2.gz PKCFYJSKNUAHLG-INIZCTEOSA-N 2 1 317.477 2.670 20 0 DFADMP Clc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261788895 427341455 /nfs/dbraw/zinc/34/14/55/427341455.db2.gz XRANWZYWUNATDQ-OCCSQVGLSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261788895 427341460 /nfs/dbraw/zinc/34/14/60/427341460.db2.gz XRANWZYWUNATDQ-OCCSQVGLSA-N 2 1 301.821 2.930 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCc2cnn(C)n2)cc1 ZINC000293579647 427369679 /nfs/dbraw/zinc/36/96/79/427369679.db2.gz BYGLLTFSLMPWHR-CQSZACIVSA-N 2 1 324.432 2.593 20 0 DFADMP CCc1cnc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000191524477 427371586 /nfs/dbraw/zinc/37/15/86/427371586.db2.gz LWWBOZPFJRGDOQ-UHFFFAOYSA-N 2 1 324.538 2.553 20 0 DFADMP CCc1cnc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000191524477 427371593 /nfs/dbraw/zinc/37/15/93/427371593.db2.gz LWWBOZPFJRGDOQ-UHFFFAOYSA-N 2 1 324.538 2.553 20 0 DFADMP OCC[C@@H](NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000297296966 427392347 /nfs/dbraw/zinc/39/23/47/427392347.db2.gz AZKPRJUYYNIJHC-QGZVFWFLSA-N 2 1 308.853 2.980 20 0 DFADMP OCC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000297296966 427392356 /nfs/dbraw/zinc/39/23/56/427392356.db2.gz AZKPRJUYYNIJHC-QGZVFWFLSA-N 2 1 308.853 2.980 20 0 DFADMP CO[C@@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000191655390 427399540 /nfs/dbraw/zinc/39/95/40/427399540.db2.gz KYBJVUJHGOXVDX-PLOWYNNNSA-N 2 1 302.462 2.910 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C[C@H](O)c2cccnc2)C1 ZINC000297500883 427407758 /nfs/dbraw/zinc/40/77/58/427407758.db2.gz NDBWKYFAWNKLRT-LMMKCTJWSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2cccnc2)C1 ZINC000297500883 427407772 /nfs/dbraw/zinc/40/77/72/427407772.db2.gz NDBWKYFAWNKLRT-LMMKCTJWSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H](O)c2cccnc2)C1 ZINC000297500883 427407779 /nfs/dbraw/zinc/40/77/79/427407779.db2.gz NDBWKYFAWNKLRT-LMMKCTJWSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H](O)c2cccnc2)C1 ZINC000297500883 427407787 /nfs/dbraw/zinc/40/77/87/427407787.db2.gz NDBWKYFAWNKLRT-LMMKCTJWSA-N 2 1 317.477 2.701 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H](O)c2cccnc2)C1 ZINC000297500883 427407794 /nfs/dbraw/zinc/40/77/94/427407794.db2.gz NDBWKYFAWNKLRT-LMMKCTJWSA-N 2 1 317.477 2.701 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccccc2F)CC1 ZINC000191455607 427354352 /nfs/dbraw/zinc/35/43/52/427354352.db2.gz NTPWRPIVQZYMCO-UHFFFAOYSA-N 2 1 307.457 2.674 20 0 DFADMP CCC[N@@H+](CCC(=O)N1CC[NH2+]CC1)[C@H](CC)c1ccccc1 ZINC000262229385 427354481 /nfs/dbraw/zinc/35/44/81/427354481.db2.gz VEVZLHXWFYOYQP-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000286192899 427449743 /nfs/dbraw/zinc/44/97/43/427449743.db2.gz RIIDGVQRYONWQX-LLVKDONJSA-N 2 1 307.419 2.781 20 0 DFADMP C[C@H](CN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C[NH+](C)C ZINC000293863069 427468501 /nfs/dbraw/zinc/46/85/01/427468501.db2.gz XVFHAKFZQDITIZ-BTHPGYMESA-N 2 1 315.505 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C[NH+](C)C ZINC000293863069 427468506 /nfs/dbraw/zinc/46/85/06/427468506.db2.gz XVFHAKFZQDITIZ-BTHPGYMESA-N 3 1 315.505 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C[NH+](C)C ZINC000293863069 427468513 /nfs/dbraw/zinc/46/85/13/427468513.db2.gz XVFHAKFZQDITIZ-BTHPGYMESA-N 3 1 315.505 2.684 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000192094109 427479815 /nfs/dbraw/zinc/47/98/15/427479815.db2.gz YYEWCFHKQHCRAP-HRCADAONSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338778489 427481686 /nfs/dbraw/zinc/48/16/86/427481686.db2.gz FAYHNGQEHYJLQL-QXAKKESOSA-N 2 1 315.505 2.794 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000271284250 427482301 /nfs/dbraw/zinc/48/23/01/427482301.db2.gz OPCNOHNOZZXCED-FQEVSTJZSA-N 2 1 313.489 2.821 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000278158459 427420608 /nfs/dbraw/zinc/42/06/08/427420608.db2.gz ATJZPWONMPATNF-BQFCYCMXSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000278158459 427420619 /nfs/dbraw/zinc/42/06/19/427420619.db2.gz ATJZPWONMPATNF-BQFCYCMXSA-N 2 1 312.461 2.981 20 0 DFADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1F ZINC000271179497 427434751 /nfs/dbraw/zinc/43/47/51/427434751.db2.gz VMBGVMFTPIIZDH-HNNXBMFYSA-N 2 1 308.441 2.659 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338689101 427441440 /nfs/dbraw/zinc/44/14/40/427441440.db2.gz QVESUJLQOLCCSX-AYOQOUSVSA-N 2 1 302.462 2.879 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000278903429 427492046 /nfs/dbraw/zinc/49/20/46/427492046.db2.gz FZYXROXVKVLXKK-HIFRSBDPSA-N 2 1 312.417 2.755 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338795221 427494519 /nfs/dbraw/zinc/49/45/19/427494519.db2.gz RAQAJNARKJARSN-XKQJLSEDSA-N 2 1 309.885 2.873 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1nc2ccccc2n1C ZINC000278918155 427499456 /nfs/dbraw/zinc/49/94/56/427499456.db2.gz HNOQRCROHGPYCM-KBPBESRZSA-N 2 1 309.417 2.683 20 0 DFADMP C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278930764 427504378 /nfs/dbraw/zinc/50/43/78/427504378.db2.gz LERCVDCGDRRSTO-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278935947 427508657 /nfs/dbraw/zinc/50/86/57/427508657.db2.gz WYPKPMXCCVDDGT-HNNXBMFYSA-N 2 1 318.396 2.659 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](Oc2ncccc2F)C1 ZINC000278935947 427508665 /nfs/dbraw/zinc/50/86/65/427508665.db2.gz WYPKPMXCCVDDGT-HNNXBMFYSA-N 2 1 318.396 2.659 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000278957478 427513869 /nfs/dbraw/zinc/51/38/69/427513869.db2.gz MCADODOVCNCYJU-OLZOCXBDSA-N 2 1 303.381 2.944 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CC[S@](C)=O)cc1 ZINC000271422969 427532972 /nfs/dbraw/zinc/53/29/72/427532972.db2.gz AUINACUPCICRRK-QLEMLULZSA-N 2 1 319.474 2.988 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](CC)C2CC2)cc1 ZINC000263660518 427534177 /nfs/dbraw/zinc/53/41/77/427534177.db2.gz ASDYKFVWEQRLRM-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP O[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCC1 ZINC000298222281 427540494 /nfs/dbraw/zinc/54/04/94/427540494.db2.gz SHNHMDXQRJJZHO-DLBZAZTESA-N 2 1 308.853 2.837 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)[C@@H](O)c1c(F)cccc1F ZINC000271449045 427541692 /nfs/dbraw/zinc/54/16/92/427541692.db2.gz FKMASLDVUXWQQL-BKBUGSPTSA-N 2 1 312.404 2.849 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](O)c1c(F)cccc1F ZINC000271449045 427541699 /nfs/dbraw/zinc/54/16/99/427541699.db2.gz FKMASLDVUXWQQL-BKBUGSPTSA-N 2 1 312.404 2.849 20 0 DFADMP O=C(CC[NH+]1CCC([NH+]2CCCCC2)CC1)Nc1ccccc1 ZINC000263687376 427541763 /nfs/dbraw/zinc/54/17/63/427541763.db2.gz JEYLKVMSUBOVRY-UHFFFAOYSA-N 2 1 315.461 2.966 20 0 DFADMP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+]2CCCC2)o1 ZINC000192799071 427612212 /nfs/dbraw/zinc/61/22/12/427612212.db2.gz QNEUBGXYDJZUEN-FBVQUNGASA-N 2 1 317.477 2.940 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CCOC[C@@H]3C)CC2)oc1C ZINC000192538384 427559074 /nfs/dbraw/zinc/55/90/74/427559074.db2.gz AFLDDIWLICGPCF-GUYCJALGSA-N 2 1 321.465 2.518 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](O)c2c(F)cccc2Cl)CC[N@H+]1C ZINC000271511694 427566154 /nfs/dbraw/zinc/56/61/54/427566154.db2.gz OVQXRVPASNMRJA-GYSYKLTISA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)CCN1C ZINC000271511694 427566162 /nfs/dbraw/zinc/56/61/62/427566162.db2.gz OVQXRVPASNMRJA-GYSYKLTISA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000271511694 427566167 /nfs/dbraw/zinc/56/61/67/427566167.db2.gz OVQXRVPASNMRJA-GYSYKLTISA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2c(F)cccc2Cl)CC[N@H+]1C ZINC000271511694 427566173 /nfs/dbraw/zinc/56/61/73/427566173.db2.gz OVQXRVPASNMRJA-GYSYKLTISA-N 2 1 300.805 2.585 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000271511790 427566791 /nfs/dbraw/zinc/56/67/91/427566791.db2.gz NWUZLNWQMPXRBM-IPELMVKDSA-N 2 1 317.477 2.809 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000271511792 427567464 /nfs/dbraw/zinc/56/74/64/427567464.db2.gz NWUZLNWQMPXRBM-KFKAGJAMSA-N 2 1 317.477 2.809 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000287299052 427570938 /nfs/dbraw/zinc/57/09/38/427570938.db2.gz KOARJPAHBXECBJ-PSBWJHGTSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000287299052 427570944 /nfs/dbraw/zinc/57/09/44/427570944.db2.gz KOARJPAHBXECBJ-PSBWJHGTSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000287299052 427570956 /nfs/dbraw/zinc/57/09/56/427570956.db2.gz KOARJPAHBXECBJ-PSBWJHGTSA-N 2 1 301.478 2.722 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000287300503 427572571 /nfs/dbraw/zinc/57/25/71/427572571.db2.gz DNWFWXCXLPZEOE-VXGBXAGGSA-N 2 1 319.430 2.644 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000287317037 427577861 /nfs/dbraw/zinc/57/78/61/427577861.db2.gz DGPCLTQZKPAENS-CABCVRRESA-N 2 1 324.432 2.759 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287335767 427580341 /nfs/dbraw/zinc/58/03/41/427580341.db2.gz MQVDOLPGWFWASM-VJANTYMQSA-N 2 1 300.446 2.666 20 0 DFADMP CC[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008966 427623360 /nfs/dbraw/zinc/62/33/60/427623360.db2.gz DOGLRPMVCKUDJR-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008966 427623367 /nfs/dbraw/zinc/62/33/67/427623367.db2.gz DOGLRPMVCKUDJR-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298372220 427588741 /nfs/dbraw/zinc/58/87/41/427588741.db2.gz KSTNPUSPNKQRGO-UHFFFAOYSA-N 2 1 315.461 2.998 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OC(F)(F)F)cc2)CC1 ZINC000271822998 427589916 /nfs/dbraw/zinc/58/99/16/427589916.db2.gz NENCINXJJGOGBP-UHFFFAOYSA-N 2 1 300.324 2.937 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192701214 427590375 /nfs/dbraw/zinc/59/03/75/427590375.db2.gz PPIVCZCAMMTPCT-AYHJJNSGSA-N 2 1 321.509 2.628 20 0 DFADMP CC1(C)CCC(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000332375152 427595990 /nfs/dbraw/zinc/59/59/90/427595990.db2.gz XMUWFLGDQRKWOT-MRXNPFEDSA-N 2 1 305.470 2.590 20 0 DFADMP CC(C)Oc1cccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192876474 427627669 /nfs/dbraw/zinc/62/76/69/427627669.db2.gz IGEVWRFRBLVUAR-RGPMPMONSA-N 2 1 318.461 2.722 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCC[NH+]2CCCC2)cc(OC)c1OC ZINC000192901162 427633646 /nfs/dbraw/zinc/63/36/46/427633646.db2.gz IHPFODPOEBWTOH-AWEZNQCLSA-N 2 1 322.449 2.849 20 0 DFADMP COc1ccccc1O[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192909619 427634821 /nfs/dbraw/zinc/63/48/21/427634821.db2.gz ARYJQMSTRHGYPJ-HNSVSWJLSA-N 2 1 304.434 2.677 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000192927227 427635017 /nfs/dbraw/zinc/63/50/17/427635017.db2.gz NGPJGKFKVHNQNT-NEWSRXKRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000192927227 427635025 /nfs/dbraw/zinc/63/50/25/427635025.db2.gz NGPJGKFKVHNQNT-NEWSRXKRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000192927227 427635032 /nfs/dbraw/zinc/63/50/32/427635032.db2.gz NGPJGKFKVHNQNT-NEWSRXKRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000192927227 427635038 /nfs/dbraw/zinc/63/50/38/427635038.db2.gz NGPJGKFKVHNQNT-NEWSRXKRSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000192927227 427635043 /nfs/dbraw/zinc/63/50/43/427635043.db2.gz NGPJGKFKVHNQNT-NEWSRXKRSA-N 2 1 313.489 2.723 20 0 DFADMP c1cn2c(cccc2C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000192925414 427636325 /nfs/dbraw/zinc/63/63/25/427636325.db2.gz DWRQHQQJLLGPKT-SFHVURJKSA-N 3 1 320.440 2.946 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192921029 427636599 /nfs/dbraw/zinc/63/65/99/427636599.db2.gz RYAHQYDCDICKMT-IBGZPJMESA-N 3 1 315.505 2.973 20 0 DFADMP CCC[NH+]1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192921029 427636606 /nfs/dbraw/zinc/63/66/06/427636606.db2.gz RYAHQYDCDICKMT-IBGZPJMESA-N 3 1 315.505 2.973 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+](C)C(C)C)c1ccccc1 ZINC000264026474 427639144 /nfs/dbraw/zinc/63/91/44/427639144.db2.gz LLYZTMCGJTTXTR-QGZVFWFLSA-N 2 1 305.466 2.526 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000264026474 427639152 /nfs/dbraw/zinc/63/91/52/427639152.db2.gz LLYZTMCGJTTXTR-QGZVFWFLSA-N 2 1 305.466 2.526 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000264026474 427639158 /nfs/dbraw/zinc/63/91/58/427639158.db2.gz LLYZTMCGJTTXTR-QGZVFWFLSA-N 2 1 305.466 2.526 20 0 DFADMP c1cc(N2CCC([NH2+]C3CCN(C4CCC4)CC3)CC2)cc[nH+]1 ZINC000298526029 427639113 /nfs/dbraw/zinc/63/91/13/427639113.db2.gz RUZWMSWVWWFRGJ-UHFFFAOYSA-N 2 1 314.477 2.657 20 0 DFADMP c1cnn(Cc2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)cc2)c1 ZINC000298538134 427643554 /nfs/dbraw/zinc/64/35/54/427643554.db2.gz SRTOCKHPSILLOR-UHFFFAOYSA-N 2 1 310.445 2.648 20 0 DFADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000287586293 427646467 /nfs/dbraw/zinc/64/64/67/427646467.db2.gz CNXAVUHMNCGZBU-SJLPKXTDSA-N 2 1 322.880 2.661 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583831 427646622 /nfs/dbraw/zinc/64/66/22/427646622.db2.gz CIVPLJVWLVJFDW-ROUUACIJSA-N 2 1 303.450 2.547 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583831 427646629 /nfs/dbraw/zinc/64/66/29/427646629.db2.gz CIVPLJVWLVJFDW-ROUUACIJSA-N 2 1 303.450 2.547 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000287583831 427646635 /nfs/dbraw/zinc/64/66/35/427646635.db2.gz CIVPLJVWLVJFDW-ROUUACIJSA-N 2 1 303.450 2.547 20 0 DFADMP CCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000272146965 427649488 /nfs/dbraw/zinc/64/94/88/427649488.db2.gz CMACAWYQOZICSQ-VQIMIIECSA-N 2 1 312.461 2.903 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000339066552 427656992 /nfs/dbraw/zinc/65/69/92/427656992.db2.gz FUYNYUUJYXZTCD-ZWNOBZJWSA-N 2 1 302.340 2.857 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000339066552 427656998 /nfs/dbraw/zinc/65/69/98/427656998.db2.gz FUYNYUUJYXZTCD-ZWNOBZJWSA-N 2 1 302.340 2.857 20 0 DFADMP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298610939 427657005 /nfs/dbraw/zinc/65/70/05/427657005.db2.gz ZYUWQIUDVZSNAI-UHFFFAOYSA-N 3 1 313.489 2.999 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[NH+]2CC)c1 ZINC000264102166 427657352 /nfs/dbraw/zinc/65/73/52/427657352.db2.gz NDPBUOAVQJBCJC-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC000264102166 427657354 /nfs/dbraw/zinc/65/73/54/427657354.db2.gz NDPBUOAVQJBCJC-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC000264102166 427657359 /nfs/dbraw/zinc/65/73/59/427657359.db2.gz NDPBUOAVQJBCJC-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP CC(C)(C)c1cn2c(n1)CC[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)C2 ZINC000339068043 427658930 /nfs/dbraw/zinc/65/89/30/427658930.db2.gz JLUJRBNEGDCODF-JYJNAYRXSA-N 2 1 316.493 2.712 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000342549852 272021921 /nfs/dbraw/zinc/02/19/21/272021921.db2.gz SCDQIDLTFQBKRU-INIZCTEOSA-N 2 1 312.417 2.542 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000342549852 272021923 /nfs/dbraw/zinc/02/19/23/272021923.db2.gz SCDQIDLTFQBKRU-INIZCTEOSA-N 2 1 312.417 2.542 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+][C@H]1C ZINC000342691249 272042336 /nfs/dbraw/zinc/04/23/36/272042336.db2.gz CCWQYTZJEVTPQA-MAUKXSAKSA-N 2 1 317.477 2.531 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC3(C)C)cc2)CC1 ZINC000342715637 272044659 /nfs/dbraw/zinc/04/46/59/272044659.db2.gz WLVVGLAWBUHEDA-GOSISDBHSA-N 2 1 301.478 2.712 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cnc(C(C)(C)C)nc2)C1 ZINC000342777651 272052530 /nfs/dbraw/zinc/05/25/30/272052530.db2.gz HXDCTGVZAXDSBH-OAHLLOKOSA-N 2 1 304.482 2.938 20 0 DFADMP CCN(CC)C(=O)C1([NH2+]CCCn2cc[nH+]c2C)CCCCC1 ZINC000342863751 272064074 /nfs/dbraw/zinc/06/40/74/272064074.db2.gz JJTVJWUOLTYCLP-UHFFFAOYSA-N 2 1 320.481 2.743 20 0 DFADMP Cc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000342928050 272067024 /nfs/dbraw/zinc/06/70/24/272067024.db2.gz PMNWLHRIMBMBTJ-YTQUADARSA-N 2 1 302.462 2.987 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000342944176 272070197 /nfs/dbraw/zinc/07/01/97/272070197.db2.gz IUXKXQYJGLBNMH-QXAKKESOSA-N 2 1 303.494 2.999 20 0 DFADMP Cc1ccccc1OCCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000343254909 272106563 /nfs/dbraw/zinc/10/65/63/272106563.db2.gz ZHAIFOSZXVXXOJ-KURKYZTESA-N 2 1 318.461 2.511 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000287695246 427673188 /nfs/dbraw/zinc/67/31/88/427673188.db2.gz IXVOVLDQGVVSLG-RDJZCZTQSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000287695246 427673192 /nfs/dbraw/zinc/67/31/92/427673192.db2.gz IXVOVLDQGVVSLG-RDJZCZTQSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000287695246 427673197 /nfs/dbraw/zinc/67/31/97/427673197.db2.gz IXVOVLDQGVVSLG-RDJZCZTQSA-N 2 1 303.450 2.623 20 0 DFADMP COc1nc(C)cc(C)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000287695246 427673200 /nfs/dbraw/zinc/67/32/00/427673200.db2.gz IXVOVLDQGVVSLG-RDJZCZTQSA-N 2 1 303.450 2.623 20 0 DFADMP Cc1ccc(CCC[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000343548387 272167711 /nfs/dbraw/zinc/16/77/11/272167711.db2.gz IOIMSKNKEKNWIS-KRWDZBQOSA-N 2 1 304.478 2.705 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2cccc(C)c2)CC1 ZINC000343575213 272174168 /nfs/dbraw/zinc/17/41/68/272174168.db2.gz FCMQGGCXHPJZAM-UHFFFAOYSA-N 2 1 317.477 2.987 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CCC[NH+](CC)C1)c1ccccc1 ZINC000343749877 272211494 /nfs/dbraw/zinc/21/14/94/272211494.db2.gz CLHIKGISAWNLAO-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC)C1)c1ccccc1 ZINC000343749877 272211495 /nfs/dbraw/zinc/21/14/95/272211495.db2.gz CLHIKGISAWNLAO-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000343749877 272211496 /nfs/dbraw/zinc/21/14/96/272211496.db2.gz CLHIKGISAWNLAO-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP OCc1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000279459257 427679474 /nfs/dbraw/zinc/67/94/74/427679474.db2.gz QTYGXYDKCIJEGF-UHFFFAOYSA-N 2 1 315.417 2.684 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916099 272237521 /nfs/dbraw/zinc/23/75/21/272237521.db2.gz AKLHSURFHORKCS-ZHALLVOQSA-N 2 1 301.478 2.705 20 0 DFADMP CCCC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccccc1 ZINC000343972491 272245499 /nfs/dbraw/zinc/24/54/99/272245499.db2.gz GJOMNTHJCQVTKD-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP CN(CCC[N@H+](C)Cc1cc(F)ccc1Cl)CC[NH+](C)C ZINC000344070409 272256521 /nfs/dbraw/zinc/25/65/21/272256521.db2.gz RLRZIOJESVYGHA-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cc(F)ccc1Cl)CC[NH+](C)C ZINC000344070409 272256523 /nfs/dbraw/zinc/25/65/23/272256523.db2.gz RLRZIOJESVYGHA-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)sc2C1 ZINC000344084583 272260478 /nfs/dbraw/zinc/26/04/78/272260478.db2.gz BHMNWILLCNGOLR-STQMWFEESA-N 2 1 316.474 2.817 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C12CCC2 ZINC000344168784 272278805 /nfs/dbraw/zinc/27/88/05/272278805.db2.gz LMKYHENKUWWGBQ-DLBZAZTESA-N 2 1 322.493 2.569 20 0 DFADMP COc1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc(OC)c1O ZINC000298706593 427682361 /nfs/dbraw/zinc/68/23/61/427682361.db2.gz SJGFPZFCFMZSHK-CQSZACIVSA-N 2 1 322.449 2.621 20 0 DFADMP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000344335068 272314970 /nfs/dbraw/zinc/31/49/70/272314970.db2.gz QRHQTSZNMVWGIF-HIFRSBDPSA-N 2 1 323.506 2.814 20 0 DFADMP CO[C@H]1CCC[C@@H]1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000344335068 272314972 /nfs/dbraw/zinc/31/49/72/272314972.db2.gz QRHQTSZNMVWGIF-HIFRSBDPSA-N 2 1 323.506 2.814 20 0 DFADMP CC1(C)[C@H](O)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193313642 427683874 /nfs/dbraw/zinc/68/38/74/427683874.db2.gz MCBIZNMAKSZKKG-BMSWRWNDSA-N 2 1 314.473 2.931 20 0 DFADMP CC(C)c1nccn1CCC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344617011 272348828 /nfs/dbraw/zinc/34/88/28/272348828.db2.gz PEFVMSSHXMWMJX-OAHLLOKOSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000344617011 272348831 /nfs/dbraw/zinc/34/88/31/272348831.db2.gz PEFVMSSHXMWMJX-OAHLLOKOSA-N 2 1 320.481 2.633 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2c[nH]nc2-c2ccccc2F)CC[N@H+]1C ZINC000344633271 272349814 /nfs/dbraw/zinc/34/98/14/272349814.db2.gz RHTLTDGXRAETLC-OCCSQVGLSA-N 2 1 302.397 2.788 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000344662699 272353210 /nfs/dbraw/zinc/35/32/10/272353210.db2.gz KFVCWYUIEZAZRK-SJORKVTESA-N 2 1 321.509 2.630 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@H](C2CC2)[NH+](C)C)C1 ZINC000339183341 427721573 /nfs/dbraw/zinc/72/15/73/427721573.db2.gz DRAICDSCCNGYQT-BHYGNILZSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@@H]1O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185716304 427692832 /nfs/dbraw/zinc/69/28/32/427692832.db2.gz HMFHDOJPXZBETO-UQOODKLHSA-N 2 1 314.473 2.887 20 0 DFADMP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000193461478 427693502 /nfs/dbraw/zinc/69/35/02/427693502.db2.gz JYISOQRGFZDCEG-QGZVFWFLSA-N 2 1 315.461 2.823 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755351 427701588 /nfs/dbraw/zinc/70/15/88/427701588.db2.gz WKHAYMOZQBXTQW-MAUKXSAKSA-N 2 1 302.462 2.922 20 0 DFADMP CCC[C@H](O)C[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000295140398 427710908 /nfs/dbraw/zinc/71/09/08/427710908.db2.gz ZKXVLBVVNORQQQ-KRWDZBQOSA-N 2 1 305.466 2.781 20 0 DFADMP CCC[C@@H](O)C[N@@H+](CC)CC1CCN(c2ccccn2)CC1 ZINC000295140400 427711193 /nfs/dbraw/zinc/71/11/93/427711193.db2.gz ZKXVLBVVNORQQQ-QGZVFWFLSA-N 2 1 305.466 2.781 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CCCC(=O)OC)C2)CC1 ZINC000339163403 427711283 /nfs/dbraw/zinc/71/12/83/427711283.db2.gz DMHLKZIUKZZYDV-RDJZCZTQSA-N 2 1 310.482 2.962 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H](CCCC(=O)OC)C2)C1 ZINC000339188437 427723945 /nfs/dbraw/zinc/72/39/45/427723945.db2.gz DFYMTFHMJHLKMM-BRWVUGGUSA-N 2 1 310.482 2.820 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336840936 427756716 /nfs/dbraw/zinc/75/67/16/427756716.db2.gz YHIWKLUKXPHUTJ-JKSUJKDBSA-N 2 1 309.479 2.568 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000336840936 427756718 /nfs/dbraw/zinc/75/67/18/427756718.db2.gz YHIWKLUKXPHUTJ-JKSUJKDBSA-N 2 1 309.479 2.568 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC000336853905 427759995 /nfs/dbraw/zinc/75/99/95/427759995.db2.gz CHNDGZBKZVCWRP-AEFFLSMTSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC000336853905 427759998 /nfs/dbraw/zinc/75/99/98/427759998.db2.gz CHNDGZBKZVCWRP-AEFFLSMTSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000336853905 427760000 /nfs/dbraw/zinc/76/00/00/427760000.db2.gz CHNDGZBKZVCWRP-AEFFLSMTSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000336853905 427760002 /nfs/dbraw/zinc/76/00/02/427760002.db2.gz CHNDGZBKZVCWRP-AEFFLSMTSA-N 2 1 304.482 2.549 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339433434 427773671 /nfs/dbraw/zinc/77/36/71/427773671.db2.gz RLUHONQWGAQVLT-SFHVURJKSA-N 2 1 310.482 2.774 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000339433434 427773673 /nfs/dbraw/zinc/77/36/73/427773673.db2.gz RLUHONQWGAQVLT-SFHVURJKSA-N 2 1 310.482 2.774 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000301304994 427787755 /nfs/dbraw/zinc/78/77/55/427787755.db2.gz UCAOCOFVUXJXJA-XJKSGUPXSA-N 2 1 306.454 2.642 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C)n2)[C@@H](C)C1 ZINC000301304994 427787757 /nfs/dbraw/zinc/78/77/57/427787757.db2.gz UCAOCOFVUXJXJA-XJKSGUPXSA-N 2 1 306.454 2.642 20 0 DFADMP C[C@H](O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000336655990 427746264 /nfs/dbraw/zinc/74/62/64/427746264.db2.gz JULWYXTVBCCOPO-WDSOQIARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](O)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336655990 427746267 /nfs/dbraw/zinc/74/62/67/427746267.db2.gz JULWYXTVBCCOPO-WDSOQIARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](O)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000336655990 427746270 /nfs/dbraw/zinc/74/62/70/427746270.db2.gz JULWYXTVBCCOPO-WDSOQIARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656326 427746726 /nfs/dbraw/zinc/74/67/26/427746726.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336656326 427746729 /nfs/dbraw/zinc/74/67/29/427746729.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+](C2CC2)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336656326 427746732 /nfs/dbraw/zinc/74/67/32/427746732.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336656326 427746734 /nfs/dbraw/zinc/74/67/34/427746734.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@H](N[C@H]1CC[NH+](C2CC2)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336656326 427746737 /nfs/dbraw/zinc/74/67/37/427746737.db2.gz MAAGTHUAWMUGNF-WDSOQIARSA-N 2 1 313.489 2.723 20 0 DFADMP CN(CC[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336704739 427748894 /nfs/dbraw/zinc/74/88/94/427748894.db2.gz GVLCLJCBBJUPLP-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP CN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336704739 427748896 /nfs/dbraw/zinc/74/88/96/427748896.db2.gz GVLCLJCBBJUPLP-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP CN(CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336704739 427748901 /nfs/dbraw/zinc/74/89/01/427748901.db2.gz GVLCLJCBBJUPLP-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713826 427749092 /nfs/dbraw/zinc/74/90/92/427749092.db2.gz NRZVKIUZBOWVJX-WOJBJXKFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713826 427749096 /nfs/dbraw/zinc/74/90/96/427749096.db2.gz NRZVKIUZBOWVJX-WOJBJXKFSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CCOCC4CC4)C[C@H]3C2)cc1 ZINC000336713826 427749099 /nfs/dbraw/zinc/74/90/99/427749099.db2.gz NRZVKIUZBOWVJX-WOJBJXKFSA-N 2 1 314.473 2.867 20 0 DFADMP CN(CC[C@@H]1CCC[N@H+]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000336704737 427749592 /nfs/dbraw/zinc/74/95/92/427749592.db2.gz GVLCLJCBBJUPLP-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000336704737 427749594 /nfs/dbraw/zinc/74/95/94/427749594.db2.gz GVLCLJCBBJUPLP-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CN(CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336704737 427749597 /nfs/dbraw/zinc/74/95/97/427749597.db2.gz GVLCLJCBBJUPLP-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000336725086 427751242 /nfs/dbraw/zinc/75/12/42/427751242.db2.gz XPTKUZJYYSPYDE-QYZOEREBSA-N 2 1 302.462 2.913 20 0 DFADMP c1ccc(C[N@@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000299098715 427751405 /nfs/dbraw/zinc/75/14/05/427751405.db2.gz CPESEWJROQSFDU-UHFFFAOYSA-N 2 1 301.478 2.680 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340471090 427857370 /nfs/dbraw/zinc/85/73/70/427857370.db2.gz BQSJXMUZVRWATH-HOTGVXAUSA-N 2 1 307.486 2.503 20 0 DFADMP Cc1nc(NCCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c(C)c(C)[nH+]1 ZINC000301668226 427814663 /nfs/dbraw/zinc/81/46/63/427814663.db2.gz NBYSZCUYLPZVFW-CHWSQXEVSA-N 2 1 306.454 2.703 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000359454649 427858279 /nfs/dbraw/zinc/85/82/79/427858279.db2.gz HOPFHUACQIRAAE-OALUTQOASA-N 2 1 324.472 2.508 20 0 DFADMP CC(C)[C@H](Cn1cccn1)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000340472561 427856167 /nfs/dbraw/zinc/85/61/67/427856167.db2.gz DMHYPZSNXPKASF-KSZLIROESA-N 2 1 306.498 2.865 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1Oc1cccnc1 ZINC000359473714 427866297 /nfs/dbraw/zinc/86/62/97/427866297.db2.gz NVAGWHOEBIAIGU-IRXDYDNUSA-N 2 1 309.413 2.834 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)oc1C ZINC000337390614 427882685 /nfs/dbraw/zinc/88/26/85/427882685.db2.gz KNIRSLRWHXGTSY-OAHLLOKOSA-N 2 1 307.482 2.821 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCn4c[nH+]cc4C3)n2)cc1 ZINC000349898215 427891787 /nfs/dbraw/zinc/89/17/87/427891787.db2.gz XPMHZHLIOKSURF-HNNXBMFYSA-N 2 1 323.400 2.725 20 0 DFADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Br)c1ccccc1 ZINC000339974354 427891837 /nfs/dbraw/zinc/89/18/37/427891837.db2.gz GWAOJFIARFECAD-HNNXBMFYSA-N 2 1 320.234 2.981 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](CC)CC ZINC000345790907 427907934 /nfs/dbraw/zinc/90/79/34/427907934.db2.gz HHVSNXUWPCRTFR-VVLHAWIVSA-N 2 1 311.514 2.589 20 0 DFADMP COC(=O)c1cccc(C[N@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000303989205 427910832 /nfs/dbraw/zinc/91/08/32/427910832.db2.gz QHKNHVGTLJQWLN-UHFFFAOYSA-N 2 1 312.413 2.824 20 0 DFADMP COC(=O)c1cccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)c1 ZINC000303989205 427910834 /nfs/dbraw/zinc/91/08/34/427910834.db2.gz QHKNHVGTLJQWLN-UHFFFAOYSA-N 2 1 312.413 2.824 20 0 DFADMP CC[N@@H+]1C[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000359662557 427962259 /nfs/dbraw/zinc/96/22/59/427962259.db2.gz RMBKJPPBADGNDT-WDSOQIARSA-N 2 1 301.478 2.753 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000359662330 427963659 /nfs/dbraw/zinc/96/36/59/427963659.db2.gz JPBQATXCEQDLFV-AHRSYUTCSA-N 2 1 315.505 2.753 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N3CCC([NH+]4CCCC4)CC3)C2)cc1 ZINC000340280761 427975367 /nfs/dbraw/zinc/97/53/67/427975367.db2.gz ANMPCJRFWAGXPO-FQEVSTJZSA-N 2 1 313.489 2.821 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000340288317 427978336 /nfs/dbraw/zinc/97/83/36/427978336.db2.gz IGYKDLLBOOPJOV-WOJBJXKFSA-N 2 1 315.505 2.925 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000340288317 427978340 /nfs/dbraw/zinc/97/83/40/427978340.db2.gz IGYKDLLBOOPJOV-WOJBJXKFSA-N 2 1 315.505 2.925 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)nc1 ZINC000340310917 427981951 /nfs/dbraw/zinc/98/19/51/427981951.db2.gz BESIJWXBBUIAFP-QZTJIDSGSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)nc1 ZINC000340310917 427981957 /nfs/dbraw/zinc/98/19/57/427981957.db2.gz BESIJWXBBUIAFP-QZTJIDSGSA-N 2 1 310.445 2.753 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340311624 427983609 /nfs/dbraw/zinc/98/36/09/427983609.db2.gz IXHREOCSPWTBGQ-MANSERQUSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C2CC2)C[C@@H]1c1ccccc1 ZINC000340311624 427983615 /nfs/dbraw/zinc/98/36/15/427983615.db2.gz IXHREOCSPWTBGQ-MANSERQUSA-N 2 1 300.446 2.979 20 0 DFADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317258 427987266 /nfs/dbraw/zinc/98/72/66/427987266.db2.gz VXFPNSDVJQZGJD-QZTJIDSGSA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340317258 427987270 /nfs/dbraw/zinc/98/72/70/427987270.db2.gz VXFPNSDVJQZGJD-QZTJIDSGSA-N 2 1 317.477 2.574 20 0 DFADMP CCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413205263 427989574 /nfs/dbraw/zinc/98/95/74/427989574.db2.gz AUYKHHUJXLMRGT-OWCLPIDISA-N 2 1 309.498 2.581 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H](c2cccnc2)C1 ZINC000376738191 427991324 /nfs/dbraw/zinc/99/13/24/427991324.db2.gz SEYAKTYCUXYNTJ-AEFFLSMTSA-N 2 1 305.466 2.666 20 0 DFADMP CC(C)CC[C@H](O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000369539736 427991472 /nfs/dbraw/zinc/99/14/72/427991472.db2.gz GJBIUZCKJMDESO-AEFFLSMTSA-N 2 1 308.510 2.980 20 0 DFADMP COCCOc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000369535483 427992460 /nfs/dbraw/zinc/99/24/60/427992460.db2.gz BAOIBNVJWVKGRZ-UHFFFAOYSA-N 2 1 318.461 2.818 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359612347 427936779 /nfs/dbraw/zinc/93/67/79/427936779.db2.gz REMXHGYAXVKQEM-KRWDZBQOSA-N 2 1 316.489 2.570 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc(C)c(C)o2)CC1 ZINC000337532824 427947312 /nfs/dbraw/zinc/94/73/12/427947312.db2.gz WIIWIYYJRKVWRJ-INIZCTEOSA-N 2 1 307.482 2.965 20 0 DFADMP C[C@@H]([NH2+]CCSCCCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376938852 428028961 /nfs/dbraw/zinc/02/89/61/428028961.db2.gz FNCUOCNJOJPHRZ-AEFFLSMTSA-N 2 1 322.518 2.602 20 0 DFADMP C[N@H+](CCOC(C)(C)C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000369657247 428029426 /nfs/dbraw/zinc/02/94/26/428029426.db2.gz UKUQSPULSCTHTC-UHFFFAOYSA-N 2 1 319.493 2.835 20 0 DFADMP C[N@@H+](CCOC(C)(C)C)C1CC[NH+](CCc2ccncc2)CC1 ZINC000369657247 428029434 /nfs/dbraw/zinc/02/94/34/428029434.db2.gz UKUQSPULSCTHTC-UHFFFAOYSA-N 2 1 319.493 2.835 20 0 DFADMP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000346129003 428029572 /nfs/dbraw/zinc/02/95/72/428029572.db2.gz FJTQHDKTCUCGGC-YTQUADARSA-N 2 1 320.477 2.622 20 0 DFADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359845950 428044313 /nfs/dbraw/zinc/04/43/13/428044313.db2.gz CJILJGOQTIMTJZ-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000346166994 428047430 /nfs/dbraw/zinc/04/74/30/428047430.db2.gz JPVBIGAJFIBVHC-QAPCUYQASA-N 2 1 312.417 2.577 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170996 428050037 /nfs/dbraw/zinc/05/00/37/428050037.db2.gz NOAMEHLEBHYNIK-YOEHRIQHSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170996 428050041 /nfs/dbraw/zinc/05/00/41/428050041.db2.gz NOAMEHLEBHYNIK-YOEHRIQHSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cc(-n4ccnc4)cs3)CC[C@@H]21 ZINC000346170996 428050047 /nfs/dbraw/zinc/05/00/47/428050047.db2.gz NOAMEHLEBHYNIK-YOEHRIQHSA-N 2 1 316.474 2.850 20 0 DFADMP c1cnc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000369757464 428052821 /nfs/dbraw/zinc/05/28/21/428052821.db2.gz MQJWKWWEPDTPLX-DLBZAZTESA-N 2 1 324.428 2.985 20 0 DFADMP c1cnc(Oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000369757464 428052825 /nfs/dbraw/zinc/05/28/25/428052825.db2.gz MQJWKWWEPDTPLX-DLBZAZTESA-N 2 1 324.428 2.985 20 0 DFADMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000369756647 428053258 /nfs/dbraw/zinc/05/32/58/428053258.db2.gz HARHLPGVIPFDQE-HNNXBMFYSA-N 2 1 321.384 2.570 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCC1CCOCC1 ZINC000346184924 428058551 /nfs/dbraw/zinc/05/85/51/428058551.db2.gz XXUNSPIIVKQPNP-UHFFFAOYSA-N 2 1 314.433 2.824 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[N@H+](C)C2CCCC2)C1 ZINC000369609830 428014800 /nfs/dbraw/zinc/01/48/00/428014800.db2.gz TWNROPALAZXSAY-CVEARBPZSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC[N@@H+](C)C2CCCC2)C1 ZINC000369609830 428014806 /nfs/dbraw/zinc/01/48/06/428014806.db2.gz TWNROPALAZXSAY-CVEARBPZSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)Cc2cc(-n3ccnc3)cs2)CC[N@@H+]1C ZINC000346208187 428069791 /nfs/dbraw/zinc/06/97/91/428069791.db2.gz SQTFXSGSYBBNLH-UONOGXRCSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)Cc2cc(-n3ccnc3)cs2)CC[N@H+]1C ZINC000346208187 428069796 /nfs/dbraw/zinc/06/97/96/428069796.db2.gz SQTFXSGSYBBNLH-UONOGXRCSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)Cc2cc(-n3ccnc3)cs2)CC[NH+]1C ZINC000346208187 428069800 /nfs/dbraw/zinc/06/98/00/428069800.db2.gz SQTFXSGSYBBNLH-UONOGXRCSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)Cc2cc(-n3ccnc3)cs2)CC[NH+]1C ZINC000346208187 428069804 /nfs/dbraw/zinc/06/98/04/428069804.db2.gz SQTFXSGSYBBNLH-UONOGXRCSA-N 2 1 304.463 2.848 20 0 DFADMP COC[C@@H]1CCCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000346210748 428071831 /nfs/dbraw/zinc/07/18/31/428071831.db2.gz VZZCQGKOCMPSLJ-CQSZACIVSA-N 2 1 323.506 2.768 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CCCC1 ZINC000370075409 428127337 /nfs/dbraw/zinc/12/73/37/428127337.db2.gz AIAJHIHPLRMUQE-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000370075409 428127338 /nfs/dbraw/zinc/12/73/38/428127338.db2.gz AIAJHIHPLRMUQE-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000370075409 428127339 /nfs/dbraw/zinc/12/73/39/428127339.db2.gz AIAJHIHPLRMUQE-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCCC[C@@H]1C[N@H+]1CCCN(Cc2nccn2C)CC1 ZINC000369917071 428088174 /nfs/dbraw/zinc/08/81/74/428088174.db2.gz ASALHDJNYGNNAF-DLBZAZTESA-N 2 1 304.482 2.754 20 0 DFADMP CCCCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000341536052 428094001 /nfs/dbraw/zinc/09/40/01/428094001.db2.gz TYPMQORRCYXXEZ-SFHVURJKSA-N 2 1 323.525 2.737 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000346266881 428100109 /nfs/dbraw/zinc/10/01/09/428100109.db2.gz IYSXWLUROJGAPL-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000346266881 428100113 /nfs/dbraw/zinc/10/01/13/428100113.db2.gz IYSXWLUROJGAPL-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCO2 ZINC000341553074 428100377 /nfs/dbraw/zinc/10/03/77/428100377.db2.gz MYORYMSOGGVVAH-OGHNNQOOSA-N 2 1 302.418 2.734 20 0 DFADMP COc1ccc2c(c1)[C@H](N[C@@H]1C[C@H](C)[N@H+](C3CC3)C1)CCO2 ZINC000341553074 428100382 /nfs/dbraw/zinc/10/03/82/428100382.db2.gz MYORYMSOGGVVAH-OGHNNQOOSA-N 2 1 302.418 2.734 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC(n2c[nH+]cc2C)CC1 ZINC000356285901 428104951 /nfs/dbraw/zinc/10/49/51/428104951.db2.gz XBHDEHVNEJYMRN-MRXNPFEDSA-N 2 1 306.454 2.522 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000359996110 428107080 /nfs/dbraw/zinc/10/70/80/428107080.db2.gz VMMZMWVDKJNQCU-SJLPKXTDSA-N 2 1 316.493 2.892 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(N2CCCCCC2)nc1 ZINC000359996110 428107084 /nfs/dbraw/zinc/10/70/84/428107084.db2.gz VMMZMWVDKJNQCU-SJLPKXTDSA-N 2 1 316.493 2.892 20 0 DFADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)C2 ZINC000377358322 428113859 /nfs/dbraw/zinc/11/38/59/428113859.db2.gz NCVYLYLYVCSZKI-FCFHUKJJSA-N 2 1 313.489 2.894 20 0 DFADMP C[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@H]1c1ccccc1 ZINC000377358322 428113861 /nfs/dbraw/zinc/11/38/61/428113861.db2.gz NCVYLYLYVCSZKI-FCFHUKJJSA-N 3 1 313.489 2.894 20 0 DFADMP C[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1ccccc1 ZINC000377358322 428113864 /nfs/dbraw/zinc/11/38/64/428113864.db2.gz NCVYLYLYVCSZKI-FCFHUKJJSA-N 3 1 313.489 2.894 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000360018407 428119812 /nfs/dbraw/zinc/11/98/12/428119812.db2.gz QHRYTIDYJDMHAA-CZUORRHYSA-N 2 1 313.401 2.710 20 0 DFADMP C[N@H+](CCc1ccc2c(c1)OCCO2)CC[C@H]1CCCC[NH+]1C ZINC000360027362 428123639 /nfs/dbraw/zinc/12/36/39/428123639.db2.gz IIYPDJZUVUSOGV-QGZVFWFLSA-N 2 1 318.461 2.807 20 0 DFADMP C[NH+](CCc1ccc2c(c1)OCCO2)CC[C@H]1CCCC[N@@H+]1C ZINC000360027362 428123644 /nfs/dbraw/zinc/12/36/44/428123644.db2.gz IIYPDJZUVUSOGV-QGZVFWFLSA-N 2 1 318.461 2.807 20 0 DFADMP C[NH+](CCc1ccc2c(c1)OCCO2)CC[C@H]1CCCC[N@H+]1C ZINC000360027362 428123646 /nfs/dbraw/zinc/12/36/46/428123646.db2.gz IIYPDJZUVUSOGV-QGZVFWFLSA-N 2 1 318.461 2.807 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352211926 428128737 /nfs/dbraw/zinc/12/87/37/428128737.db2.gz MQMZJKCSPIHBRT-INIZCTEOSA-N 2 1 312.461 2.909 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000346346628 428135830 /nfs/dbraw/zinc/13/58/30/428135830.db2.gz XHYPTOSUIVEJBK-ZACQAIPSSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(-c2nccn2C)c1 ZINC000360056850 428137099 /nfs/dbraw/zinc/13/70/99/428137099.db2.gz IZUOOWXHMYKQQJ-RVKKMQEKSA-N 2 1 312.461 2.905 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352540252 428142114 /nfs/dbraw/zinc/14/21/14/428142114.db2.gz ISQUNXRPQPRUSD-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1OC ZINC000352540252 428142119 /nfs/dbraw/zinc/14/21/19/428142119.db2.gz ISQUNXRPQPRUSD-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP FC(F)(F)Oc1ccccc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000377497893 428142310 /nfs/dbraw/zinc/14/23/10/428142310.db2.gz OTRBWESNXBHDQD-GFCCVEGCSA-N 2 1 311.307 2.886 20 0 DFADMP Clc1cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)ccn1 ZINC000377510446 428145325 /nfs/dbraw/zinc/14/53/25/428145325.db2.gz FZGONPWVGWREMI-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP C[C@H](O)c1ncc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000377549230 428155019 /nfs/dbraw/zinc/15/50/19/428155019.db2.gz KHHJETZCLOSMHX-HEHGZKQESA-N 2 1 321.490 2.645 20 0 DFADMP CSC1(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000377543699 428155372 /nfs/dbraw/zinc/15/53/72/428155372.db2.gz RQIAWOWOSWNSTM-AWEZNQCLSA-N 2 1 306.479 2.547 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCSC(C)(C)C)C2)CC1 ZINC000370284690 428173459 /nfs/dbraw/zinc/17/34/59/428173459.db2.gz FXFUURCPMQKOCP-INIZCTEOSA-N 2 1 313.555 2.618 20 0 DFADMP CCc1nc(NCCC[N@@H+]2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000341746145 428178691 /nfs/dbraw/zinc/17/86/91/428178691.db2.gz XVLMEBGVJSTCQE-UHFFFAOYSA-N 2 1 310.445 3.208 20 0 DFADMP CCc1nc(NCCC[N@H+]2CCc3ccccc3C2)cc(C)[nH+]1 ZINC000341746145 428178695 /nfs/dbraw/zinc/17/86/95/428178695.db2.gz XVLMEBGVJSTCQE-UHFFFAOYSA-N 2 1 310.445 3.208 20 0 DFADMP CC[C@H](C)[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000356498857 428205482 /nfs/dbraw/zinc/20/54/82/428205482.db2.gz ACQPWVPBVTUEHC-GVDBMIGSSA-N 2 1 311.514 2.543 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414097469 428205881 /nfs/dbraw/zinc/20/58/81/428205881.db2.gz JCCQGVWQDSNWIC-WMZOPIPTSA-N 2 1 319.493 2.979 20 0 DFADMP COC1CCC(C)(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352714461 428216729 /nfs/dbraw/zinc/21/67/29/428216729.db2.gz WILDLMRJGIILPG-UHFFFAOYSA-N 2 1 311.495 2.890 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)OC)[C@@H](C)C1 ZINC000346559219 428217251 /nfs/dbraw/zinc/21/72/51/428217251.db2.gz JGRQUKFERQDADC-JKSUJKDBSA-N 2 1 300.487 2.528 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360237174 428218323 /nfs/dbraw/zinc/21/83/23/428218323.db2.gz GLNMVJYJSQWJAE-JCGIZDLHSA-N 2 1 308.441 2.846 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360237174 428218326 /nfs/dbraw/zinc/21/83/26/428218326.db2.gz GLNMVJYJSQWJAE-JCGIZDLHSA-N 2 1 308.441 2.846 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000346568031 428222849 /nfs/dbraw/zinc/22/28/49/428222849.db2.gz WBLHZARVWPCCHR-MJGOQNOKSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000346568031 428222854 /nfs/dbraw/zinc/22/28/54/428222854.db2.gz WBLHZARVWPCCHR-MJGOQNOKSA-N 2 1 302.462 2.792 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)C1 ZINC000414172741 428225101 /nfs/dbraw/zinc/22/51/01/428225101.db2.gz FGCFVWINFCKNPW-IKGGRYGDSA-N 2 1 304.482 2.768 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCSC(C)(C)C)CC1 ZINC000370505919 428227673 /nfs/dbraw/zinc/22/76/73/428227673.db2.gz ADBCTIQEEWOQGE-INIZCTEOSA-N 2 1 313.555 2.620 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1cccc(-n2ccnn2)c1 ZINC000414187206 428231269 /nfs/dbraw/zinc/23/12/69/428231269.db2.gz PRCLPILEUIFIJO-HOTGVXAUSA-N 2 1 313.449 2.650 20 0 DFADMP COc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@@H]31)C2 ZINC000414203525 428232938 /nfs/dbraw/zinc/23/29/38/428232938.db2.gz ZJTLQUYXAGUCGB-JOCBIADPSA-N 2 1 300.446 2.625 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000360168161 428188627 /nfs/dbraw/zinc/18/86/27/428188627.db2.gz BSUIZTQCWDDDQW-QGZVFWFLSA-N 2 1 324.472 2.704 20 0 DFADMP Cc1cc(C)n2c(C[NH2+]CC(C)(C)C[NH+]3CCCC3)cnc2n1 ZINC000360169696 428190167 /nfs/dbraw/zinc/19/01/67/428190167.db2.gz UFYOYGUUECSPDG-UHFFFAOYSA-N 2 1 315.465 2.558 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000414069045 428197090 /nfs/dbraw/zinc/19/70/90/428197090.db2.gz KGLCULLBZRHFBJ-PMPSAXMXSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000414069045 428197094 /nfs/dbraw/zinc/19/70/94/428197094.db2.gz KGLCULLBZRHFBJ-PMPSAXMXSA-N 2 1 305.466 2.731 20 0 DFADMP CSC1(C[N@@H+](C)C[C@@H]2CCCN(C)[C@H]2c2cnn(C)c2)CC1 ZINC000377705983 428200994 /nfs/dbraw/zinc/20/09/94/428200994.db2.gz TWKDBUJCYMKWNJ-GOEBONIOSA-N 2 1 322.522 2.630 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414080631 428201213 /nfs/dbraw/zinc/20/12/13/428201213.db2.gz DIZIRTQFEJKIES-BHYGNILZSA-N 2 1 310.869 2.878 20 0 DFADMP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000352830382 428269091 /nfs/dbraw/zinc/26/90/91/428269091.db2.gz AHDNSZIETLRSMR-APWZRJJASA-N 2 1 307.526 2.842 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000370676316 428270465 /nfs/dbraw/zinc/27/04/65/428270465.db2.gz JHWSKIBNMPWRGO-CQSZACIVSA-N 2 1 310.405 2.513 20 0 DFADMP COCC[N@H+](C)CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352839883 428274979 /nfs/dbraw/zinc/27/49/79/428274979.db2.gz LUIGBJCNEFCWFV-UHFFFAOYSA-N 2 1 310.385 2.825 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1cscc1C(F)(F)F ZINC000352839883 428274982 /nfs/dbraw/zinc/27/49/82/428274982.db2.gz LUIGBJCNEFCWFV-UHFFFAOYSA-N 2 1 310.385 2.825 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693732 428275175 /nfs/dbraw/zinc/27/51/75/428275175.db2.gz PFHZNTMXSMCIIT-MNOVXSKESA-N 2 1 306.360 2.524 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693732 428275185 /nfs/dbraw/zinc/27/51/85/428275185.db2.gz PFHZNTMXSMCIIT-MNOVXSKESA-N 2 1 306.360 2.524 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694595 428276848 /nfs/dbraw/zinc/27/68/48/428276848.db2.gz VBCWJSZBRRCRNO-DGCLKSJQSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000346695074 428277108 /nfs/dbraw/zinc/27/71/08/428277108.db2.gz YDBLGJJMWMTTHG-AAEUAGOBSA-N 2 1 304.825 2.899 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000370706672 428278657 /nfs/dbraw/zinc/27/86/57/428278657.db2.gz CCVVOHMTZNQXGA-ICSRJNTNSA-N 2 1 315.505 2.761 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342027960 428282751 /nfs/dbraw/zinc/28/27/51/428282751.db2.gz QJPFUGWZVFEFPG-OAHLLOKOSA-N 2 1 306.450 2.834 20 0 DFADMP Cc1occc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000414427065 428291258 /nfs/dbraw/zinc/29/12/58/428291258.db2.gz IQWUOXZUBDIDEO-IBGZPJMESA-N 2 1 314.429 2.835 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000377839124 428243363 /nfs/dbraw/zinc/24/33/63/428243363.db2.gz GJQQAOGBBKSQRN-BMFZPTHFSA-N 2 1 321.490 2.911 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000341896659 428244056 /nfs/dbraw/zinc/24/40/56/428244056.db2.gz IWVIESAMNGSRHP-ZMSDIMECSA-N 2 1 306.450 2.530 20 0 DFADMP COCCOc1ccccc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000341896659 428244062 /nfs/dbraw/zinc/24/40/62/428244062.db2.gz IWVIESAMNGSRHP-ZMSDIMECSA-N 2 1 306.450 2.530 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@H]2CCC[C@H]21 ZINC000370583277 428245453 /nfs/dbraw/zinc/24/54/53/428245453.db2.gz IVRFQTHUKAYLHF-QLFBSQMISA-N 2 1 309.841 2.576 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)[C@H](C)OC ZINC000414270340 428246786 /nfs/dbraw/zinc/24/67/86/428246786.db2.gz PRDDYXHSOGTUSK-UKBAYJJMSA-N 2 1 320.477 2.537 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)[C@H](C)OC ZINC000414270340 428246791 /nfs/dbraw/zinc/24/67/91/428246791.db2.gz PRDDYXHSOGTUSK-UKBAYJJMSA-N 2 1 320.477 2.537 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@H]2CCC[C@H]21 ZINC000370586055 428247043 /nfs/dbraw/zinc/24/70/43/428247043.db2.gz ZXPMRUSUPKEFJF-VHDGCEQUSA-N 2 1 309.841 2.576 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858745 428247159 /nfs/dbraw/zinc/24/71/59/428247159.db2.gz BIWVWMWOKJXBRR-KGLIPLIRSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377858745 428247163 /nfs/dbraw/zinc/24/71/63/428247163.db2.gz BIWVWMWOKJXBRR-KGLIPLIRSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000377861442 428249274 /nfs/dbraw/zinc/24/92/74/428249274.db2.gz REYYCUVGGKQVTD-HNNXBMFYSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000377861442 428249277 /nfs/dbraw/zinc/24/92/77/428249277.db2.gz REYYCUVGGKQVTD-HNNXBMFYSA-N 2 1 315.417 2.595 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]2OC)[C@@H](C)C1 ZINC000341911455 428249878 /nfs/dbraw/zinc/24/98/78/428249878.db2.gz UTUYVZPBIXSJLX-XLAORIBOSA-N 2 1 312.498 2.528 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000377862806 428250294 /nfs/dbraw/zinc/25/02/94/428250294.db2.gz ZFZMMSCEMNWIHZ-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000377862806 428250298 /nfs/dbraw/zinc/25/02/98/428250298.db2.gz ZFZMMSCEMNWIHZ-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@H]2c2cccs2)CC[N@H+]1C ZINC000370620103 428253762 /nfs/dbraw/zinc/25/37/62/428253762.db2.gz KOMKAZMPNICXGC-KCYZZUKISA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000370620103 428253769 /nfs/dbraw/zinc/25/37/69/428253769.db2.gz KOMKAZMPNICXGC-KCYZZUKISA-N 2 1 307.507 2.813 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)CC[NH+]1C ZINC000370620103 428253777 /nfs/dbraw/zinc/25/37/77/428253777.db2.gz KOMKAZMPNICXGC-KCYZZUKISA-N 2 1 307.507 2.813 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000356622724 428257769 /nfs/dbraw/zinc/25/77/69/428257769.db2.gz CLCGUDNHYNXJRV-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000356622724 428257772 /nfs/dbraw/zinc/25/77/72/428257772.db2.gz CLCGUDNHYNXJRV-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444569 428298219 /nfs/dbraw/zinc/29/82/19/428298219.db2.gz QAVUSCBGOAUROT-AAEUAGOBSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444569 428298221 /nfs/dbraw/zinc/29/82/21/428298221.db2.gz QAVUSCBGOAUROT-AAEUAGOBSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444569 428298223 /nfs/dbraw/zinc/29/82/23/428298223.db2.gz QAVUSCBGOAUROT-AAEUAGOBSA-N 2 1 312.360 2.780 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342120356 428308315 /nfs/dbraw/zinc/30/83/15/428308315.db2.gz HYROBYAXHJRZSF-IKICRFKJSA-N 2 1 315.461 2.635 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342120356 428308319 /nfs/dbraw/zinc/30/83/19/428308319.db2.gz HYROBYAXHJRZSF-IKICRFKJSA-N 2 1 315.461 2.635 20 0 DFADMP CCC[N@@H+](C)CC(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342221222 428355354 /nfs/dbraw/zinc/35/53/54/428355354.db2.gz PLKOQZJIOYZSPA-UHFFFAOYSA-N 2 1 303.450 2.604 20 0 DFADMP CCC[NH+](C)CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000342221222 428355363 /nfs/dbraw/zinc/35/53/63/428355363.db2.gz PLKOQZJIOYZSPA-UHFFFAOYSA-N 2 1 303.450 2.604 20 0 DFADMP CCC[NH+](C)CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000342221222 428355365 /nfs/dbraw/zinc/35/53/65/428355365.db2.gz PLKOQZJIOYZSPA-UHFFFAOYSA-N 2 1 303.450 2.604 20 0 DFADMP COC(=O)[C@@]12C[N@@H+](CC[C@@H]3CCCC[NH+]3C)C[C@@H]1CCCC2 ZINC000342135955 428315780 /nfs/dbraw/zinc/31/57/80/428315780.db2.gz UPPDMQTYMBXNQI-BQFCYCMXSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@@]12C[NH+](CC[C@@H]3CCCC[N@@H+]3C)C[C@@H]1CCCC2 ZINC000342135955 428315784 /nfs/dbraw/zinc/31/57/84/428315784.db2.gz UPPDMQTYMBXNQI-BQFCYCMXSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@@]12C[NH+](CC[C@@H]3CCCC[N@H+]3C)C[C@@H]1CCCC2 ZINC000342135955 428315788 /nfs/dbraw/zinc/31/57/88/428315788.db2.gz UPPDMQTYMBXNQI-BQFCYCMXSA-N 2 1 308.466 2.526 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346814850 428329882 /nfs/dbraw/zinc/32/98/82/428329882.db2.gz CRCXHVSCWHIVRX-UBHSHLNASA-N 2 1 318.852 2.786 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346814850 428329885 /nfs/dbraw/zinc/32/98/85/428329885.db2.gz CRCXHVSCWHIVRX-UBHSHLNASA-N 2 1 318.852 2.786 20 0 DFADMP c1cc2c(c([C@@H]3CCC[N@@H+]3C[C@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000346825096 428330819 /nfs/dbraw/zinc/33/08/19/428330819.db2.gz ANVQMNUYKQVDNU-HOCLYGCPSA-N 2 1 302.418 2.594 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2cccs2)n1 ZINC000346824058 428332063 /nfs/dbraw/zinc/33/20/63/428332063.db2.gz KWIOQPTWQGRQHE-CFVMTHIKSA-N 2 1 316.474 2.708 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000378208485 428336020 /nfs/dbraw/zinc/33/60/20/428336020.db2.gz HAMDHRJYHURREB-OAHLLOKOSA-N 2 1 318.465 2.832 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1 ZINC000346833671 428337706 /nfs/dbraw/zinc/33/77/06/428337706.db2.gz MHKNMESRVSTDCX-SZMVWBNQSA-N 2 1 310.445 2.944 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccccc2)n1 ZINC000346838362 428339351 /nfs/dbraw/zinc/33/93/51/428339351.db2.gz XBGVGBWUUKMSQP-JQHSSLGASA-N 2 1 310.445 2.646 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H](C)[C@@H]3CCCOC3)CC2)[nH+]1 ZINC000356857311 428339798 /nfs/dbraw/zinc/33/97/98/428339798.db2.gz WXHCALJELITIEJ-HZPDHXFCSA-N 2 1 303.450 2.764 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@@H]21 ZINC000346839745 428340416 /nfs/dbraw/zinc/34/04/16/428340416.db2.gz SVUSKJODPMJGPB-BPQIPLTHSA-N 2 1 324.428 2.828 20 0 DFADMP Fc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346840505 428341601 /nfs/dbraw/zinc/34/16/01/428341601.db2.gz GDWOUMMVDCSKOJ-WMZOPIPTSA-N 2 1 306.425 2.806 20 0 DFADMP Fc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346840505 428341607 /nfs/dbraw/zinc/34/16/07/428341607.db2.gz GDWOUMMVDCSKOJ-WMZOPIPTSA-N 2 1 306.425 2.806 20 0 DFADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)n1-c1ccccc1 ZINC000346844865 428342076 /nfs/dbraw/zinc/34/20/76/428342076.db2.gz LZZSBAOBNSTRBM-ZYSHUDEJSA-N 2 1 310.445 2.740 20 0 DFADMP c1ccc(CCCN2CCC[N@@H+](CC3CC[NH2+]CC3)CC2)cc1 ZINC000346843900 428342401 /nfs/dbraw/zinc/34/24/01/428342401.db2.gz XZIHQEILZOYQPT-UHFFFAOYSA-N 2 1 315.505 2.627 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C[C@@H]21 ZINC000346846263 428344052 /nfs/dbraw/zinc/34/40/52/428344052.db2.gz NTSFERSVQWBSAR-ISTRZQFTSA-N 2 1 314.408 2.775 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346851271 428345708 /nfs/dbraw/zinc/34/57/08/428345708.db2.gz VOUWFJUJISYCOX-SNRMKQJTSA-N 2 1 310.445 2.740 20 0 DFADMP COc1cc2c(c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)c1)O[C@@H](C)C2 ZINC000346848949 428345937 /nfs/dbraw/zinc/34/59/37/428345937.db2.gz FTICCJXVLFVAMK-LUVWLHFXSA-N 2 1 316.445 2.578 20 0 DFADMP Clc1ccc(CN2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852760 428347585 /nfs/dbraw/zinc/34/75/85/428347585.db2.gz XJFQVDBOGBQSMR-KRWDZBQOSA-N 2 1 321.896 2.847 20 0 DFADMP Clc1ccc(C[N@@H+]2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852760 428347589 /nfs/dbraw/zinc/34/75/89/428347589.db2.gz XJFQVDBOGBQSMR-KRWDZBQOSA-N 2 1 321.896 2.847 20 0 DFADMP Clc1ccc(C[N@H+]2CCCN(C[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346852760 428347595 /nfs/dbraw/zinc/34/75/95/428347595.db2.gz XJFQVDBOGBQSMR-KRWDZBQOSA-N 2 1 321.896 2.847 20 0 DFADMP CC[N@@H+]1CCCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356889010 428349966 /nfs/dbraw/zinc/34/99/66/428349966.db2.gz ZSUGPIKHFUZKJB-HNNXBMFYSA-N 2 1 321.431 2.867 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356889010 428349971 /nfs/dbraw/zinc/34/99/71/428349971.db2.gz ZSUGPIKHFUZKJB-HNNXBMFYSA-N 2 1 321.431 2.867 20 0 DFADMP CC[N@@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356889011 428351236 /nfs/dbraw/zinc/35/12/36/428351236.db2.gz ZSUGPIKHFUZKJB-OAHLLOKOSA-N 2 1 321.431 2.867 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356889011 428351243 /nfs/dbraw/zinc/35/12/43/428351243.db2.gz ZSUGPIKHFUZKJB-OAHLLOKOSA-N 2 1 321.431 2.867 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCCN1Cc1cn2cccnc2n1 ZINC000371066303 428352654 /nfs/dbraw/zinc/35/26/54/428352654.db2.gz ALXUJSANGHVEBJ-MRXNPFEDSA-N 2 1 324.432 2.714 20 0 DFADMP CC[N@@H+]1CCc2nc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)sc2C1 ZINC000346873230 428353376 /nfs/dbraw/zinc/35/33/76/428353376.db2.gz ZTZUDYRLACZDLU-NSHDSACASA-N 2 1 324.494 2.626 20 0 DFADMP CC[N@H+]1CCc2nc(NC(=O)[C@H](C)[NH2+]C(C)(C)CC)sc2C1 ZINC000346873230 428353386 /nfs/dbraw/zinc/35/33/86/428353386.db2.gz ZTZUDYRLACZDLU-NSHDSACASA-N 2 1 324.494 2.626 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360447048 428301734 /nfs/dbraw/zinc/30/17/34/428301734.db2.gz WKQNHDWSKBWEBG-CHWSQXEVSA-N 2 1 310.413 2.835 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cc(OC)c(OC)cc2F)C1 ZINC000360447048 428301737 /nfs/dbraw/zinc/30/17/37/428301737.db2.gz WKQNHDWSKBWEBG-CHWSQXEVSA-N 2 1 310.413 2.835 20 0 DFADMP CCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000357101754 428388085 /nfs/dbraw/zinc/38/80/85/428388085.db2.gz DSVCZCYYTYITIS-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000357101754 428388093 /nfs/dbraw/zinc/38/80/93/428388093.db2.gz DSVCZCYYTYITIS-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@H+]2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414728563 428388301 /nfs/dbraw/zinc/38/83/01/428388301.db2.gz CHIXDLAPSPBCRQ-SUMDDJOVSA-N 2 1 301.478 2.583 20 0 DFADMP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414728563 428388305 /nfs/dbraw/zinc/38/83/05/428388305.db2.gz CHIXDLAPSPBCRQ-SUMDDJOVSA-N 2 1 301.478 2.583 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@H+]2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414728562 428388872 /nfs/dbraw/zinc/38/88/72/428388872.db2.gz CHIXDLAPSPBCRQ-IEZWGBDMSA-N 2 1 301.478 2.583 20 0 DFADMP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000414728562 428388875 /nfs/dbraw/zinc/38/88/75/428388875.db2.gz CHIXDLAPSPBCRQ-IEZWGBDMSA-N 2 1 301.478 2.583 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CC[NH2+][C@H](C)C2)CC1 ZINC000414740389 428389566 /nfs/dbraw/zinc/38/95/66/428389566.db2.gz LFMUYOJJFXMZQU-HZPDHXFCSA-N 3 1 303.450 2.621 20 0 DFADMP [NH3+]CCOCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C1CC1 ZINC000357105173 428389956 /nfs/dbraw/zinc/38/99/56/428389956.db2.gz NHXDIWZDDADYPT-UHFFFAOYSA-N 2 1 303.233 2.933 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCNC[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739234 428390255 /nfs/dbraw/zinc/39/02/55/428390255.db2.gz PWQQDGLNJVBZAG-CPUCHLNUSA-N 2 1 307.869 2.674 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@H](C[N@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000414746095 428393867 /nfs/dbraw/zinc/39/38/67/428393867.db2.gz QCUCFUWDRUIVJZ-QGZVFWFLSA-N 2 1 321.509 2.620 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH2+]1 ZINC000414756475 428394309 /nfs/dbraw/zinc/39/43/09/428394309.db2.gz JRSKYNDVLUECIL-CVEARBPZSA-N 3 1 316.493 2.787 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)c1ccccc1Cl ZINC000342303407 428394199 /nfs/dbraw/zinc/39/41/99/428394199.db2.gz OJRSTTUTLMUFAF-AWEZNQCLSA-N 2 1 319.836 2.667 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000357117100 428396704 /nfs/dbraw/zinc/39/67/04/428396704.db2.gz CFIKJTSKQHNDRY-BFYDXBDKSA-N 2 1 321.509 2.628 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684757 428398437 /nfs/dbraw/zinc/39/84/37/428398437.db2.gz GXSKPQZDIQHBGZ-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684757 428398444 /nfs/dbraw/zinc/39/84/44/428398444.db2.gz GXSKPQZDIQHBGZ-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684757 428398449 /nfs/dbraw/zinc/39/84/49/428398449.db2.gz GXSKPQZDIQHBGZ-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684757 428398453 /nfs/dbraw/zinc/39/84/53/428398453.db2.gz GXSKPQZDIQHBGZ-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000360684757 428398458 /nfs/dbraw/zinc/39/84/58/428398458.db2.gz GXSKPQZDIQHBGZ-MJGOQNOKSA-N 2 1 300.446 2.992 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000414764416 428398758 /nfs/dbraw/zinc/39/87/58/428398758.db2.gz DJVCWFWPWABUOR-GASCZTMLSA-N 2 1 314.408 2.647 20 0 DFADMP CCCn1c2ccccc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773112 428400168 /nfs/dbraw/zinc/40/01/68/428400168.db2.gz WGHOTGFJAJTHBS-IYBDPMFKSA-N 2 1 312.461 2.878 20 0 DFADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360689029 428400892 /nfs/dbraw/zinc/40/08/92/428400892.db2.gz DPNYVZXGKGNOBR-MJGOQNOKSA-N 2 1 307.526 2.915 20 0 DFADMP Clc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)n2c1 ZINC000414772634 428401529 /nfs/dbraw/zinc/40/15/29/428401529.db2.gz CHSQZDDZFZMYND-UONOGXRCSA-N 2 1 318.852 2.809 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(-c2ccccc2)n1 ZINC000414774596 428401775 /nfs/dbraw/zinc/40/17/75/428401775.db2.gz YNDWTPXRPXKDIH-CALCHBBNSA-N 2 1 310.445 2.519 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414774618 428402432 /nfs/dbraw/zinc/40/24/32/428402432.db2.gz FMZVKKUSAIMANY-KBPBESRZSA-N 2 1 316.474 2.960 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2sccc2Cl)CC12CCOCC2 ZINC000414777874 428403339 /nfs/dbraw/zinc/40/33/39/428403339.db2.gz IOGXZNVVAIGNCE-LLVKDONJSA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2sccc2Cl)CC12CCOCC2 ZINC000414777874 428403345 /nfs/dbraw/zinc/40/33/45/428403345.db2.gz IOGXZNVVAIGNCE-LLVKDONJSA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C/c2ccc(F)cc2F)CC12CCOCC2 ZINC000414780915 428404255 /nfs/dbraw/zinc/40/42/55/428404255.db2.gz MDKNMEKRCFFISA-BGTMTDRBSA-N 2 1 322.399 2.665 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cs2)CC12CCOCC2 ZINC000414779870 428404374 /nfs/dbraw/zinc/40/43/74/428404374.db2.gz KTVZMFKRWYTKPM-LLVKDONJSA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc(Cl)cs2)CC12CCOCC2 ZINC000414779870 428404378 /nfs/dbraw/zinc/40/43/78/428404378.db2.gz KTVZMFKRWYTKPM-LLVKDONJSA-N 2 1 300.855 2.589 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)o1 ZINC000414776715 428404514 /nfs/dbraw/zinc/40/45/14/428404514.db2.gz HNFYDPFMRQBGSS-LSDHHAIUSA-N 2 1 314.433 2.800 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414781839 428406131 /nfs/dbraw/zinc/40/61/31/428406131.db2.gz NMLWYGVKNMOGJF-QZTJIDSGSA-N 2 1 310.445 2.694 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)c2)c1 ZINC000414781838 428406511 /nfs/dbraw/zinc/40/65/11/428406511.db2.gz NMLWYGVKNMOGJF-MSOLQXFVSA-N 2 1 310.445 2.694 20 0 DFADMP CC[C@@H]1CCC[C@@H](C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371836340 428407156 /nfs/dbraw/zinc/40/71/56/428407156.db2.gz YNVUMHILKBXXGI-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414784080 428407502 /nfs/dbraw/zinc/40/75/02/428407502.db2.gz QSYRBKRXXXRLRA-IAGOWNOFSA-N 2 1 310.445 2.694 20 0 DFADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787735 428409565 /nfs/dbraw/zinc/40/95/65/428409565.db2.gz VXWFQVAMNWDGGE-DLBZAZTESA-N 2 1 310.445 2.694 20 0 DFADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000414785742 428409941 /nfs/dbraw/zinc/40/99/41/428409941.db2.gz TVTFQRDGLMIDQU-QWHCGFSZSA-N 2 1 324.266 2.666 20 0 DFADMP CC(C)Cc1ncc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414787825 428411067 /nfs/dbraw/zinc/41/10/67/428411067.db2.gz WCFMMLZTLHUMDW-CQSZACIVSA-N 2 1 323.506 2.529 20 0 DFADMP CC(C)(C)[NH2+]CCN1CCC[N@@H+](Cc2ccc(F)cc2)CC1 ZINC000414679516 428372967 /nfs/dbraw/zinc/37/29/67/428372967.db2.gz LNBYDMJVWLTSMQ-UHFFFAOYSA-N 2 1 307.457 2.722 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC000357050633 428373991 /nfs/dbraw/zinc/37/39/91/428373991.db2.gz BTRLNXQZIGURAF-GOSISDBHSA-N 2 1 323.525 2.971 20 0 DFADMP C[C@H]1C[C@@H](CN2CCC[N@@H+](CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688837 428376270 /nfs/dbraw/zinc/37/62/70/428376270.db2.gz JSVQAVPKJMWFHU-HKUYNNGSSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+]2CCCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688837 428376275 /nfs/dbraw/zinc/37/62/75/428376275.db2.gz JSVQAVPKJMWFHU-HKUYNNGSSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(CC3CCCCC3)CC2)CC[NH2+]1 ZINC000414688837 428376280 /nfs/dbraw/zinc/37/62/80/428376280.db2.gz JSVQAVPKJMWFHU-HKUYNNGSSA-N 2 1 307.526 2.963 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+][C@@H](C)C3)C2)CC1 ZINC000414700872 428379377 /nfs/dbraw/zinc/37/93/77/428379377.db2.gz ZWRSXPRXBWMCGB-FHWLQOOXSA-N 3 1 307.526 2.818 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000414701549 428380397 /nfs/dbraw/zinc/38/03/97/428380397.db2.gz ADTHWKYDRHJBPN-OAQYLSRUSA-N 2 1 324.468 2.748 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000414701549 428380404 /nfs/dbraw/zinc/38/04/04/428380404.db2.gz ADTHWKYDRHJBPN-OAQYLSRUSA-N 2 1 324.468 2.748 20 0 DFADMP C[N@H+](CC[NH2+]C(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414719337 428385250 /nfs/dbraw/zinc/38/52/50/428385250.db2.gz XXTDUNHYBGXQGL-UHFFFAOYSA-N 3 1 304.482 2.618 20 0 DFADMP C[N@@H+](CC[NH2+]C(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414719337 428385254 /nfs/dbraw/zinc/38/52/54/428385254.db2.gz XXTDUNHYBGXQGL-UHFFFAOYSA-N 3 1 304.482 2.618 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078589 428434475 /nfs/dbraw/zinc/43/44/75/428434475.db2.gz WCIZIFZAIXTWNR-ZFWWWQNUSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078589 428434480 /nfs/dbraw/zinc/43/44/80/428434480.db2.gz WCIZIFZAIXTWNR-ZFWWWQNUSA-N 2 1 302.397 2.571 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CCC1 ZINC000414870651 428438691 /nfs/dbraw/zinc/43/86/91/428438691.db2.gz CCAXUOCOCUJNLI-UHFFFAOYSA-N 2 1 324.350 2.862 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347086922 428438958 /nfs/dbraw/zinc/43/89/58/428438958.db2.gz DBPZPOVSOHBRSZ-CYBMUJFWSA-N 2 1 302.340 2.798 20 0 DFADMP Cc1cc(C[NH2+]CC2([NH3+])CCCCCC2)ccc1-n1cncn1 ZINC000414862950 428439309 /nfs/dbraw/zinc/43/93/09/428439309.db2.gz WJPPOGVKIOPKLI-UHFFFAOYSA-N 2 1 313.449 2.717 20 0 DFADMP CCC[NH2+]CCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414864117 428439474 /nfs/dbraw/zinc/43/94/74/428439474.db2.gz COROJOYCJLWUPZ-YQQQUEKLSA-N 2 1 301.478 2.771 20 0 DFADMP c1ccc2c(c1)C=C(CN1C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C1)CO2 ZINC000360791576 428440127 /nfs/dbraw/zinc/44/01/27/428440127.db2.gz OGAYEABNTQUEBN-QYZOEREBSA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[N@@H+]1C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C1)CO2 ZINC000360791576 428440136 /nfs/dbraw/zinc/44/01/36/428440136.db2.gz OGAYEABNTQUEBN-QYZOEREBSA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[N@H+]1C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C1)CO2 ZINC000360791576 428440142 /nfs/dbraw/zinc/44/01/42/428440142.db2.gz OGAYEABNTQUEBN-QYZOEREBSA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[NH+]1C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C1)CO2 ZINC000360791576 428440145 /nfs/dbraw/zinc/44/01/45/428440145.db2.gz OGAYEABNTQUEBN-QYZOEREBSA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[NH+]1C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C1)CO2 ZINC000360791576 428440153 /nfs/dbraw/zinc/44/01/53/428440153.db2.gz OGAYEABNTQUEBN-QYZOEREBSA-N 2 1 310.441 2.879 20 0 DFADMP Clc1ccc2c(c1)C[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)C2 ZINC000414872600 428440494 /nfs/dbraw/zinc/44/04/94/428440494.db2.gz FWBZSDXRDKWVQW-GOSISDBHSA-N 2 1 315.848 2.972 20 0 DFADMP CC(C)(C)c1n[nH]cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360790845 428440724 /nfs/dbraw/zinc/44/07/24/428440724.db2.gz JUIGTCAZRWEQRQ-OWCLPIDISA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360790845 428440730 /nfs/dbraw/zinc/44/07/30/428440730.db2.gz JUIGTCAZRWEQRQ-OWCLPIDISA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360790845 428440733 /nfs/dbraw/zinc/44/07/33/428440733.db2.gz JUIGTCAZRWEQRQ-OWCLPIDISA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360790845 428440738 /nfs/dbraw/zinc/44/07/38/428440738.db2.gz JUIGTCAZRWEQRQ-OWCLPIDISA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360790845 428440742 /nfs/dbraw/zinc/44/07/42/428440742.db2.gz JUIGTCAZRWEQRQ-OWCLPIDISA-N 2 1 302.466 2.623 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(SC)cc1OC ZINC000347099010 428443814 /nfs/dbraw/zinc/44/38/14/428443814.db2.gz JBYDNQYASOGUGH-STQMWFEESA-N 2 1 324.490 2.985 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(SC)cc1OC ZINC000347099010 428443824 /nfs/dbraw/zinc/44/38/24/428443824.db2.gz JBYDNQYASOGUGH-STQMWFEESA-N 2 1 324.490 2.985 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225745 428444166 /nfs/dbraw/zinc/44/41/66/428444166.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357225745 428444173 /nfs/dbraw/zinc/44/41/73/428444173.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357225745 428444177 /nfs/dbraw/zinc/44/41/77/428444177.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225745 428444185 /nfs/dbraw/zinc/44/41/85/428444185.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000357225745 428444189 /nfs/dbraw/zinc/44/41/89/428444189.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000357225745 428444193 /nfs/dbraw/zinc/44/41/93/428444193.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000357225745 428444198 /nfs/dbraw/zinc/44/41/98/428444198.db2.gz BLKSBECMQJIWDK-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000357229649 428446361 /nfs/dbraw/zinc/44/63/61/428446361.db2.gz IHWHLZFJQONBFP-HKUYNNGSSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357229649 428446366 /nfs/dbraw/zinc/44/63/66/428446366.db2.gz IHWHLZFJQONBFP-HKUYNNGSSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357229649 428446369 /nfs/dbraw/zinc/44/63/69/428446369.db2.gz IHWHLZFJQONBFP-HKUYNNGSSA-N 2 1 303.494 2.827 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCc1cn[nH]c1 ZINC000353245541 428446690 /nfs/dbraw/zinc/44/66/90/428446690.db2.gz XRNXPMLUXZFQEX-UHFFFAOYSA-N 2 1 300.450 2.700 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000347106610 428447110 /nfs/dbraw/zinc/44/71/10/428447110.db2.gz LXHJITBSUCUBJC-INIZCTEOSA-N 2 1 306.450 2.901 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000347106610 428447116 /nfs/dbraw/zinc/44/71/16/428447116.db2.gz LXHJITBSUCUBJC-INIZCTEOSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379656175 428451581 /nfs/dbraw/zinc/45/15/81/428451581.db2.gz OJBCLMKIFQUJRZ-UKRRQHHQSA-N 2 1 318.383 2.800 20 0 DFADMP C[C@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000379656175 428451587 /nfs/dbraw/zinc/45/15/87/428451587.db2.gz OJBCLMKIFQUJRZ-UKRRQHHQSA-N 2 1 318.383 2.800 20 0 DFADMP Clc1ccc(OC[C@H]2CCCO2)c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000414904709 428452509 /nfs/dbraw/zinc/45/25/09/428452509.db2.gz KLVYPKSOCPSGNC-XJKSGUPXSA-N 2 1 324.852 2.597 20 0 DFADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]C[C@H]2CC[NH2+]C2)c1 ZINC000414904700 428453215 /nfs/dbraw/zinc/45/32/15/428453215.db2.gz KLVYPKSOCPSGNC-BBRMVZONSA-N 2 1 324.852 2.597 20 0 DFADMP Fc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1OCC(F)(F)F ZINC000414911564 428454847 /nfs/dbraw/zinc/45/48/47/428454847.db2.gz WKWVVBZPZHSOFC-GFCCVEGCSA-N 2 1 320.330 2.999 20 0 DFADMP CC[C@H](C[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1)c1ccccc1 ZINC000353260973 428455759 /nfs/dbraw/zinc/45/57/59/428455759.db2.gz PJRUGIHEYYRVRI-DLBZAZTESA-N 2 1 304.478 2.957 20 0 DFADMP Fc1ccc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc1Br ZINC000414919910 428456251 /nfs/dbraw/zinc/45/62/51/428456251.db2.gz YBMWNWXTZHKMPJ-LLVKDONJSA-N 2 1 301.203 2.820 20 0 DFADMP Cc1cnc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)n1C ZINC000342790363 428457436 /nfs/dbraw/zinc/45/74/36/428457436.db2.gz ZIIBICBJTZOOKH-UHFFFAOYSA-N 2 1 304.482 2.817 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1C ZINC000414924247 428458904 /nfs/dbraw/zinc/45/89/04/428458904.db2.gz IMPLCBNKHAHOTI-NUEKZKHPSA-N 2 1 306.450 2.613 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000414929276 428459209 /nfs/dbraw/zinc/45/92/09/428459209.db2.gz RFXSSBUKLKNIJZ-NEPJUHHUSA-N 2 1 301.203 2.948 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)CC[C@@H]1[NH3+] ZINC000387704482 428461747 /nfs/dbraw/zinc/46/17/47/428461747.db2.gz IPAFNZRAEZBMOW-STQMWFEESA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)CC[C@@H]1[NH3+] ZINC000387704482 428461751 /nfs/dbraw/zinc/46/17/51/428461751.db2.gz IPAFNZRAEZBMOW-STQMWFEESA-N 2 1 314.376 2.856 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347137364 428463818 /nfs/dbraw/zinc/46/38/18/428463818.db2.gz UGQQDKZFUTXWQK-OLZOCXBDSA-N 2 1 302.397 2.775 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000347137364 428463824 /nfs/dbraw/zinc/46/38/24/428463824.db2.gz UGQQDKZFUTXWQK-OLZOCXBDSA-N 2 1 302.397 2.775 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)OCCO2 ZINC000347138870 428466143 /nfs/dbraw/zinc/46/61/43/428466143.db2.gz VKOWCEKNGKEBCR-QWHCGFSZSA-N 2 1 322.474 2.739 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H](C)[NH3+])C1)OCCO2 ZINC000347138870 428466149 /nfs/dbraw/zinc/46/61/49/428466149.db2.gz VKOWCEKNGKEBCR-QWHCGFSZSA-N 2 1 322.474 2.739 20 0 DFADMP CC1([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH2+]CC1 ZINC000414946928 428466281 /nfs/dbraw/zinc/46/62/81/428466281.db2.gz UZZRBHIRZNYVOK-UHFFFAOYSA-N 2 1 320.330 2.999 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc(Cl)c1OC ZINC000414953439 428468823 /nfs/dbraw/zinc/46/88/23/428468823.db2.gz RPYGGAWKLSFTNS-DGCLKSJQSA-N 2 1 312.841 2.977 20 0 DFADMP [NH3+]C[C@H]1CCC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347033068 428415114 /nfs/dbraw/zinc/41/51/14/428415114.db2.gz FGGMMWIPUKVCOW-CYBMUJFWSA-N 2 1 304.825 2.696 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C1 ZINC000347033068 428415119 /nfs/dbraw/zinc/41/51/19/428415119.db2.gz FGGMMWIPUKVCOW-CYBMUJFWSA-N 2 1 304.825 2.696 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000347035457 428415558 /nfs/dbraw/zinc/41/55/58/428415558.db2.gz GTNPVIQKVMFELB-TZMCWYRMSA-N 2 1 302.447 2.764 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000353181595 428418580 /nfs/dbraw/zinc/41/85/80/428418580.db2.gz HVCBFGWCFIJDNI-NXHRZFHOSA-N 2 1 317.477 2.673 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000414809126 428418652 /nfs/dbraw/zinc/41/86/52/428418652.db2.gz TYUUGVPJYZIEBS-AWEZNQCLSA-N 2 1 324.350 2.718 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000357172560 428418663 /nfs/dbraw/zinc/41/86/63/428418663.db2.gz IMDNRSFULBGEIZ-ZIFCJYIRSA-N 2 1 321.509 2.537 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)o1 ZINC000414808540 428418862 /nfs/dbraw/zinc/41/88/62/428418862.db2.gz KXJURANKXWPKAQ-GFCCVEGCSA-N 2 1 302.374 2.766 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414810145 428418886 /nfs/dbraw/zinc/41/88/86/428418886.db2.gz WXKNQJUQEOLXIN-KRWDZBQOSA-N 2 1 306.450 2.852 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045952 428422096 /nfs/dbraw/zinc/42/20/96/428422096.db2.gz GTVPQSVSPMSTRP-NJAFHUGGSA-N 2 1 322.880 2.660 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045952 428422102 /nfs/dbraw/zinc/42/21/02/428422102.db2.gz GTVPQSVSPMSTRP-NJAFHUGGSA-N 2 1 322.880 2.660 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045952 428422109 /nfs/dbraw/zinc/42/21/09/428422109.db2.gz GTVPQSVSPMSTRP-NJAFHUGGSA-N 2 1 322.880 2.660 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000414815110 428422529 /nfs/dbraw/zinc/42/25/29/428422529.db2.gz ZYGBQWFXBSDRIM-ICSRJNTNSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@H](c1nncn1C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000347044449 428422766 /nfs/dbraw/zinc/42/27/66/428422766.db2.gz FJXZEWSJDVXDRZ-HZPDHXFCSA-N 2 1 319.497 2.853 20 0 DFADMP C[C@H](c1nncn1C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000347044449 428422770 /nfs/dbraw/zinc/42/27/70/428422770.db2.gz FJXZEWSJDVXDRZ-HZPDHXFCSA-N 2 1 319.497 2.853 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000347044542 428423665 /nfs/dbraw/zinc/42/36/65/428423665.db2.gz NELIODLAHSFPGG-SMDDNHRTSA-N 2 1 302.340 2.797 20 0 DFADMP Cc1noc(C2(C)CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000378580598 428429775 /nfs/dbraw/zinc/42/97/75/428429775.db2.gz LSLAPPSJHOLXMI-HNNXBMFYSA-N 2 1 306.454 2.606 20 0 DFADMP Cc1noc(C2(C)CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000378580598 428429786 /nfs/dbraw/zinc/42/97/86/428429786.db2.gz LSLAPPSJHOLXMI-HNNXBMFYSA-N 2 1 306.454 2.606 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000414845323 428432262 /nfs/dbraw/zinc/43/22/62/428432262.db2.gz SHDXFFUCCWRDLR-GFCCVEGCSA-N 2 1 304.413 2.573 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H](CC[NH3+])C(F)F ZINC000414984148 428480807 /nfs/dbraw/zinc/48/08/07/428480807.db2.gz DCXNBBHRRLBVPI-OAHLLOKOSA-N 2 1 313.436 2.717 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347178246 428481574 /nfs/dbraw/zinc/48/15/74/428481574.db2.gz SMFIYHUIQBUACH-CYBMUJFWSA-N 2 1 302.397 2.647 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000347178246 428481580 /nfs/dbraw/zinc/48/15/80/428481580.db2.gz SMFIYHUIQBUACH-CYBMUJFWSA-N 2 1 302.397 2.647 20 0 DFADMP c1ccc(OCCCCC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)cc1 ZINC000372671983 428484740 /nfs/dbraw/zinc/48/47/40/428484740.db2.gz FUQHFUHNIMSMKB-PKOBYXMFSA-N 2 1 318.461 2.689 20 0 DFADMP c1ccc(OCCCCC[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)cc1 ZINC000372671983 428484746 /nfs/dbraw/zinc/48/47/46/428484746.db2.gz FUQHFUHNIMSMKB-PKOBYXMFSA-N 2 1 318.461 2.689 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3C[C@H]3C3CC[NH2+]CC3)CC2)cc1 ZINC000415001005 428486647 /nfs/dbraw/zinc/48/66/47/428486647.db2.gz BWVGZMHWDIKXAB-VQTJNVASSA-N 3 1 313.489 2.629 20 0 DFADMP C[N@@H+](CCNC(=O)Nc1ccn2ccnc2c1)C1CCCCC1 ZINC000353329863 428486966 /nfs/dbraw/zinc/48/69/66/428486966.db2.gz LILKERKAPJIIOW-UHFFFAOYSA-N 2 1 315.421 2.720 20 0 DFADMP Cc1ccc2cc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)ccc2n1 ZINC000415010094 428488754 /nfs/dbraw/zinc/48/87/54/428488754.db2.gz XZLZJTSDNUEOSV-OAHLLOKOSA-N 2 1 305.372 2.878 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000353331551 428490053 /nfs/dbraw/zinc/49/00/53/428490053.db2.gz WECITSAFIPSRJY-VAMGGRTRSA-N 2 1 313.489 2.502 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000395692613 428494705 /nfs/dbraw/zinc/49/47/05/428494705.db2.gz VLRQTPHEHIAFBG-QGZVFWFLSA-N 2 1 319.493 2.649 20 0 DFADMP COc1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000360927741 428494876 /nfs/dbraw/zinc/49/48/76/428494876.db2.gz PGZIEXDSKOHVNE-BHIYHBOVSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000360927741 428494881 /nfs/dbraw/zinc/49/48/81/428494881.db2.gz PGZIEXDSKOHVNE-BHIYHBOVSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000360927741 428494886 /nfs/dbraw/zinc/49/48/86/428494886.db2.gz PGZIEXDSKOHVNE-BHIYHBOVSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000360927742 428495067 /nfs/dbraw/zinc/49/50/67/428495067.db2.gz PGZIEXDSKOHVNE-NEWSRXKRSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000360927742 428495074 /nfs/dbraw/zinc/49/50/74/428495074.db2.gz PGZIEXDSKOHVNE-NEWSRXKRSA-N 2 1 300.446 2.654 20 0 DFADMP COc1ccc(CC[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000360927742 428495081 /nfs/dbraw/zinc/49/50/81/428495081.db2.gz PGZIEXDSKOHVNE-NEWSRXKRSA-N 2 1 300.446 2.654 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415036699 428495510 /nfs/dbraw/zinc/49/55/10/428495510.db2.gz GCNRHWRLTDZIAS-SJLPKXTDSA-N 2 1 301.434 2.609 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000347216044 428495747 /nfs/dbraw/zinc/49/57/47/428495747.db2.gz QZMNMILKIFAWRV-ZFWWWQNUSA-N 2 1 314.433 2.645 20 0 DFADMP CC(C)(C)n1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)nn1 ZINC000415047679 428497476 /nfs/dbraw/zinc/49/74/76/428497476.db2.gz FLIORVYRDMURAS-INIZCTEOSA-N 2 1 301.438 2.603 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@]1(C)C[NH3+] ZINC000415050902 428499752 /nfs/dbraw/zinc/49/97/52/428499752.db2.gz DUFMHRKOBDVICR-AYOQOUSVSA-N 2 1 318.461 2.661 20 0 DFADMP COc1ccc(C)cc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353361365 428499961 /nfs/dbraw/zinc/49/99/61/428499961.db2.gz UFQXHHHNSOFXHC-INIZCTEOSA-N 2 1 320.477 2.528 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415052255 428500913 /nfs/dbraw/zinc/50/09/13/428500913.db2.gz MZLMFEOIIJBLAL-NVXWUHKLSA-N 2 1 318.461 2.976 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053492 428501232 /nfs/dbraw/zinc/50/12/32/428501232.db2.gz KBRZFKWXIVWARJ-ZRGWGRIASA-N 2 1 317.477 2.883 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1OC(F)F ZINC000415050576 428501645 /nfs/dbraw/zinc/50/16/45/428501645.db2.gz INPGTDCJFOQBJL-ZDUSSCGKSA-N 2 1 302.365 2.760 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000415052066 428501946 /nfs/dbraw/zinc/50/19/46/428501946.db2.gz GYPZNNWENYAXSZ-MEBBXXQBSA-N 2 1 302.340 2.844 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@]1(C)C[NH3+] ZINC000415052066 428501950 /nfs/dbraw/zinc/50/19/50/428501950.db2.gz GYPZNNWENYAXSZ-MEBBXXQBSA-N 2 1 302.340 2.844 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353364674 428502987 /nfs/dbraw/zinc/50/29/87/428502987.db2.gz OMCWTWNPTUCHTL-FFZOFVMBSA-N 2 1 316.489 2.815 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H](C)C(=O)NCC(C)C ZINC000360945791 428503515 /nfs/dbraw/zinc/50/35/15/428503515.db2.gz GQXMXIGIMSDETP-IXDOHACOSA-N 2 1 311.514 2.637 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059736 428504656 /nfs/dbraw/zinc/50/46/56/428504656.db2.gz YTKKBIKJGJTYNE-PSBWJHGTSA-N 2 1 301.478 2.739 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059736 428504660 /nfs/dbraw/zinc/50/46/60/428504660.db2.gz YTKKBIKJGJTYNE-PSBWJHGTSA-N 2 1 301.478 2.739 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000415059736 428504665 /nfs/dbraw/zinc/50/46/65/428504665.db2.gz YTKKBIKJGJTYNE-PSBWJHGTSA-N 2 1 301.478 2.739 20 0 DFADMP C[C@@H](CCC(F)(F)F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415057648 428505072 /nfs/dbraw/zinc/50/50/72/428505072.db2.gz RYDWDKZKWQSWKZ-HSBZDZAISA-N 2 1 307.404 2.523 20 0 DFADMP COCCCOc1cccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000415059898 428505595 /nfs/dbraw/zinc/50/55/95/428505595.db2.gz ZXOQJZVNPAVWIX-CRAIPNDOSA-N 2 1 306.450 2.519 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000372924252 428506028 /nfs/dbraw/zinc/50/60/28/428506028.db2.gz MSVQYGGEIWWELI-OTWHNJEPSA-N 2 1 302.462 2.707 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000372924252 428506030 /nfs/dbraw/zinc/50/60/30/428506030.db2.gz MSVQYGGEIWWELI-OTWHNJEPSA-N 2 1 302.462 2.707 20 0 DFADMP C[C@@H](c1cc(Cl)ccc1Cl)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397029502 428506427 /nfs/dbraw/zinc/50/64/27/428506427.db2.gz AMTMUOLSQLYMCY-JTQLQIEISA-N 2 1 303.233 2.840 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000397349814 428508471 /nfs/dbraw/zinc/50/84/71/428508471.db2.gz HYYPDHZWVYYPMQ-HZSPNIEDSA-N 2 1 323.868 2.974 20 0 DFADMP CC[C@@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CC[NH2+]C1 ZINC000372981172 428510277 /nfs/dbraw/zinc/51/02/77/428510277.db2.gz WWYLZFBUMPPMFT-LJQANCHMSA-N 2 1 317.477 2.533 20 0 DFADMP Fc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1Oc1cccnc1 ZINC000415076464 428511918 /nfs/dbraw/zinc/51/19/18/428511918.db2.gz CKGQJXDCFYFJHY-UHFFFAOYSA-N 2 1 301.365 2.855 20 0 DFADMP C[NH+](C)C1(CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CCCC1 ZINC000343074797 428514119 /nfs/dbraw/zinc/51/41/19/428514119.db2.gz WYIWXKUJNOKVIU-QGZVFWFLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@]1(CN[C@@H]2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000398016720 428514600 /nfs/dbraw/zinc/51/46/00/428514600.db2.gz RCOSFLOMLNYRFS-RTBURBONSA-N 2 1 301.478 2.773 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCCN1Cc1ccccc1 ZINC000398016720 428514606 /nfs/dbraw/zinc/51/46/06/428514606.db2.gz RCOSFLOMLNYRFS-RTBURBONSA-N 2 1 301.478 2.773 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000415088022 428515427 /nfs/dbraw/zinc/51/54/27/428515427.db2.gz WWBROHYTDCJPQQ-YPMHNXCESA-N 2 1 317.355 2.643 20 0 DFADMP Cc1nn(C)c(C)c1CC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415084505 428516521 /nfs/dbraw/zinc/51/65/21/428516521.db2.gz OPZDDSICGYPSRD-IEBWSBKVSA-N 2 1 312.461 2.662 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[NH2+][C@H]1C ZINC000398113432 428518558 /nfs/dbraw/zinc/51/85/58/428518558.db2.gz DVDTXPIMNNXKQT-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP c1c(CC[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)nc2ccccn12 ZINC000415104781 428521076 /nfs/dbraw/zinc/52/10/76/428521076.db2.gz LFPHGJXKJWNJGM-PKOBYXMFSA-N 2 1 320.440 2.960 20 0 DFADMP CC[C@@H](C)C[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000357417076 428522712 /nfs/dbraw/zinc/52/27/12/428522712.db2.gz NQRBXFDUZHJBGS-QGZVFWFLSA-N 2 1 303.494 2.960 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000353407702 428523277 /nfs/dbraw/zinc/52/32/77/428523277.db2.gz XPERSOOJNLWADN-OWCLPIDISA-N 2 1 321.852 2.741 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000353407702 428523282 /nfs/dbraw/zinc/52/32/82/428523282.db2.gz XPERSOOJNLWADN-OWCLPIDISA-N 2 1 321.852 2.741 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415110315 428523348 /nfs/dbraw/zinc/52/33/48/428523348.db2.gz SMJVRQZXKRZRRK-PVAVHDDUSA-N 2 1 304.434 2.657 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000353409261 428524266 /nfs/dbraw/zinc/52/42/66/428524266.db2.gz WEVRBGMBFVVXJC-RRQGHBQHSA-N 2 1 310.388 2.806 20 0 DFADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1ccccn1 ZINC000347282985 428526728 /nfs/dbraw/zinc/52/67/28/428526728.db2.gz ZYHQDUXZEIINGK-UHFFFAOYSA-N 2 1 302.422 2.515 20 0 DFADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1ccccn1 ZINC000347282985 428526734 /nfs/dbraw/zinc/52/67/34/428526734.db2.gz ZYHQDUXZEIINGK-UHFFFAOYSA-N 2 1 302.422 2.515 20 0 DFADMP CCC[C@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000343155696 428528285 /nfs/dbraw/zinc/52/82/85/428528285.db2.gz WEHKDQLMQIZAGP-BPQIPLTHSA-N 2 1 317.477 2.668 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OCC(C)C ZINC000414953714 428472835 /nfs/dbraw/zinc/47/28/35/428472835.db2.gz RUXQWRNXVWNIDI-GOEBONIOSA-N 2 1 306.450 2.960 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000342847429 428473038 /nfs/dbraw/zinc/47/30/38/428473038.db2.gz BSEQTKXUKFOTRS-OAFZBRQQSA-N 2 1 317.477 2.658 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000342847429 428473043 /nfs/dbraw/zinc/47/30/43/428473043.db2.gz BSEQTKXUKFOTRS-OAFZBRQQSA-N 2 1 317.477 2.658 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000342847429 428473048 /nfs/dbraw/zinc/47/30/48/428473048.db2.gz BSEQTKXUKFOTRS-OAFZBRQQSA-N 2 1 317.477 2.658 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390749342 428473444 /nfs/dbraw/zinc/47/34/44/428473444.db2.gz RPYJJUTWKGFSOZ-RDJZCZTQSA-N 2 1 319.493 2.647 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390564814 428474756 /nfs/dbraw/zinc/47/47/56/428474756.db2.gz OLUQPVVBVFNTGZ-FHWLQOOXSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390564814 428474761 /nfs/dbraw/zinc/47/47/61/428474761.db2.gz OLUQPVVBVFNTGZ-FHWLQOOXSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000390797590 428475552 /nfs/dbraw/zinc/47/55/52/428475552.db2.gz LBFFSWSTPBTVHM-ZNMIVQPWSA-N 2 1 313.486 2.610 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000390797590 428475559 /nfs/dbraw/zinc/47/55/59/428475559.db2.gz LBFFSWSTPBTVHM-ZNMIVQPWSA-N 2 1 313.486 2.610 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)ccc1OC(F)F ZINC000414960840 428475685 /nfs/dbraw/zinc/47/56/85/428475685.db2.gz YLGIIWAQYVNJEI-WCQYABFASA-N 2 1 314.376 2.917 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2)cn1 ZINC000391007031 428477714 /nfs/dbraw/zinc/47/77/14/428477714.db2.gz IJGIVKUIQSABGI-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+]1CCCCC1)c1ccccc1 ZINC000343845838 428580215 /nfs/dbraw/zinc/58/02/15/428580215.db2.gz XRQKOOASWXMNRB-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343867911 428584705 /nfs/dbraw/zinc/58/47/05/428584705.db2.gz RBXJZMFXIWIHCC-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343867911 428584709 /nfs/dbraw/zinc/58/47/09/428584709.db2.gz RBXJZMFXIWIHCC-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343867911 428584715 /nfs/dbraw/zinc/58/47/15/428584715.db2.gz RBXJZMFXIWIHCC-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343867911 428584717 /nfs/dbraw/zinc/58/47/17/428584717.db2.gz RBXJZMFXIWIHCC-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000361669354 428585364 /nfs/dbraw/zinc/58/53/64/428585364.db2.gz AVRGSPYMHRRQLD-WMZOPIPTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000361669354 428585372 /nfs/dbraw/zinc/58/53/72/428585372.db2.gz AVRGSPYMHRRQLD-WMZOPIPTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)C1CCCC1 ZINC000361669354 428585373 /nfs/dbraw/zinc/58/53/73/428585373.db2.gz AVRGSPYMHRRQLD-WMZOPIPTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)C1CCCC1 ZINC000361669354 428585380 /nfs/dbraw/zinc/58/53/80/428585380.db2.gz AVRGSPYMHRRQLD-WMZOPIPTSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C[NH3+] ZINC000415128900 428533170 /nfs/dbraw/zinc/53/31/70/428533170.db2.gz OQUHVEVEYUDIKL-GOEBONIOSA-N 2 1 312.417 2.686 20 0 DFADMP C[C@H]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]1 ZINC000399063190 428534530 /nfs/dbraw/zinc/53/45/30/428534530.db2.gz ZPIJLMAAJAMMDS-VJAOCGABSA-N 2 1 313.489 2.912 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)OCCO2 ZINC000415135369 428534762 /nfs/dbraw/zinc/53/47/62/428534762.db2.gz WPXGNCYGYNBGFF-TZMCWYRMSA-N 2 1 322.474 2.596 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1)OCCO2 ZINC000415135369 428534768 /nfs/dbraw/zinc/53/47/68/428534768.db2.gz WPXGNCYGYNBGFF-TZMCWYRMSA-N 2 1 322.474 2.596 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[C@@H](C)[NH3+])CC1 ZINC000399492399 428540664 /nfs/dbraw/zinc/54/06/64/428540664.db2.gz AXJDBYNNBMUAEM-NVXWUHKLSA-N 2 1 311.514 2.576 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCCCO2)cc1 ZINC000399673490 428541494 /nfs/dbraw/zinc/54/14/94/428541494.db2.gz SYJVRQMZLBVXAY-MHYDHLEJSA-N 2 1 300.446 2.666 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]C[C@H]2CCCCO2)cc1 ZINC000399673490 428541499 /nfs/dbraw/zinc/54/14/99/428541499.db2.gz SYJVRQMZLBVXAY-MHYDHLEJSA-N 2 1 300.446 2.666 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451534 428541797 /nfs/dbraw/zinc/54/17/97/428541797.db2.gz AGXSRLSDUHYKGL-MTQWCTHYSA-N 2 1 315.505 2.622 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451534 428541802 /nfs/dbraw/zinc/54/18/02/428541802.db2.gz AGXSRLSDUHYKGL-MTQWCTHYSA-N 2 1 315.505 2.622 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000353451534 428541805 /nfs/dbraw/zinc/54/18/05/428541805.db2.gz AGXSRLSDUHYKGL-MTQWCTHYSA-N 2 1 315.505 2.622 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)[C@H](C)C1 ZINC000347318242 428543856 /nfs/dbraw/zinc/54/38/56/428543856.db2.gz NALHQSDRFPTEQM-OAGGEKHMSA-N 2 1 318.509 2.815 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000400323548 428544068 /nfs/dbraw/zinc/54/40/68/428544068.db2.gz APYVSWHYAPMFDO-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400349921 428544584 /nfs/dbraw/zinc/54/45/84/428544584.db2.gz MDZJGNRLVGRMSP-QFMLELGNSA-N 2 1 313.489 2.912 20 0 DFADMP COc1ccc(OCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353456718 428545194 /nfs/dbraw/zinc/54/51/94/428545194.db2.gz WPOUYKPNPRDXNB-KURKYZTESA-N 2 1 304.434 2.536 20 0 DFADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478459 428546594 /nfs/dbraw/zinc/54/65/94/428546594.db2.gz VQDVMDHKUPBIGC-VJAOCGABSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478459 428546598 /nfs/dbraw/zinc/54/65/98/428546598.db2.gz VQDVMDHKUPBIGC-VJAOCGABSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400478459 428546604 /nfs/dbraw/zinc/54/66/04/428546604.db2.gz VQDVMDHKUPBIGC-VJAOCGABSA-N 3 1 313.489 2.770 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@@H]2CCC[C@H]21 ZINC000353465207 428550342 /nfs/dbraw/zinc/55/03/42/428550342.db2.gz WGUKKGQZIQYCIG-HRCADAONSA-N 2 1 318.852 2.950 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@@H]2CCC[C@H]21 ZINC000353465207 428550350 /nfs/dbraw/zinc/55/03/50/428550350.db2.gz WGUKKGQZIQYCIG-HRCADAONSA-N 2 1 318.852 2.950 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000361230696 428550945 /nfs/dbraw/zinc/55/09/45/428550945.db2.gz FRMIKPARUDPWJE-DOMZBBRYSA-N 2 1 304.459 2.791 20 0 DFADMP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361350977 428559237 /nfs/dbraw/zinc/55/92/37/428559237.db2.gz JGHRRBYGLZZQQA-ROUUACIJSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C[NH+](C)C[C@H]1CCCCO1)C[N@@H+](C)C[C@H]1CCCCO1 ZINC000357747859 428560528 /nfs/dbraw/zinc/56/05/28/428560528.db2.gz XICBVMCARVQHDH-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)[NH+](C[C@H](C)C[N@@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409488 428564756 /nfs/dbraw/zinc/56/47/56/428564756.db2.gz WDTRFMAUCTVLCF-BCDXTJNWSA-N 2 1 312.498 2.621 20 0 DFADMP CC(C)[NH+](C[C@@H](C)C[N@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409488 428564764 /nfs/dbraw/zinc/56/47/64/428564764.db2.gz WDTRFMAUCTVLCF-BCDXTJNWSA-N 2 1 312.498 2.621 20 0 DFADMP CC(C)[NH+](C[C@@H](C)C[N@@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409488 428564771 /nfs/dbraw/zinc/56/47/71/428564771.db2.gz WDTRFMAUCTVLCF-BCDXTJNWSA-N 2 1 312.498 2.621 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000353494661 428564970 /nfs/dbraw/zinc/56/49/70/428564970.db2.gz DIIXSUGJCOKNNL-ZIFCJYIRSA-N 2 1 310.445 2.835 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000343737114 428567516 /nfs/dbraw/zinc/56/75/16/428567516.db2.gz IIGZMZBMYKNGHZ-UHFFFAOYSA-N 2 1 304.482 2.651 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000404353486 428569774 /nfs/dbraw/zinc/56/97/74/428569774.db2.gz KKHGKCKBSYVHOM-WMZOPIPTSA-N 2 1 317.477 2.877 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])c1ccccc1 ZINC000404353486 428569779 /nfs/dbraw/zinc/56/97/79/428569779.db2.gz KKHGKCKBSYVHOM-WMZOPIPTSA-N 2 1 317.477 2.877 20 0 DFADMP C[C@@H]1CCC[N@H+](CCCn2c3ccccc3[nH]c2=O)[C@H]1CC[NH3+] ZINC000404351808 428570074 /nfs/dbraw/zinc/57/00/74/428570074.db2.gz JSZKWBMOGIYUBO-ZBFHGGJFSA-N 2 1 316.449 2.581 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCn2c3ccccc3[nH]c2=O)[C@H]1CC[NH3+] ZINC000404351808 428570078 /nfs/dbraw/zinc/57/00/78/428570078.db2.gz JSZKWBMOGIYUBO-ZBFHGGJFSA-N 2 1 316.449 2.581 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000343822009 428575847 /nfs/dbraw/zinc/57/58/47/428575847.db2.gz FNQLOEMWILYLTO-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000343822009 428575851 /nfs/dbraw/zinc/57/58/51/428575851.db2.gz FNQLOEMWILYLTO-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000353523406 428577814 /nfs/dbraw/zinc/57/78/14/428577814.db2.gz TZXCHPSFBKRJCX-GPANFISMSA-N 2 1 312.404 2.645 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)[C@@H](C)C1 ZINC000358374724 428598541 /nfs/dbraw/zinc/59/85/41/428598541.db2.gz OZIRTZUXIURKEV-JCGIZDLHSA-N 2 1 315.461 2.804 20 0 DFADMP c1cc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000373603312 428617544 /nfs/dbraw/zinc/61/75/44/428617544.db2.gz IUVMYYYWWNXFRJ-ROUUACIJSA-N 2 1 300.446 2.771 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C)[C@H](C(C)C)C2)c1 ZINC000415924369 428628537 /nfs/dbraw/zinc/62/85/37/428628537.db2.gz WISYBMRZJAHSNO-KRWDZBQOSA-N 2 1 318.465 2.600 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415928402 428628963 /nfs/dbraw/zinc/62/89/63/428628963.db2.gz HKVHFENYGTZZJG-CABCVRRESA-N 2 1 318.465 2.648 20 0 DFADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000344299210 428629393 /nfs/dbraw/zinc/62/93/93/428629393.db2.gz OEFRLLSVPOOYNV-WMZOPIPTSA-N 2 1 320.481 2.756 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353629467 428629930 /nfs/dbraw/zinc/62/99/30/428629930.db2.gz FZDCIJNGKKMXPV-OTWHNJEPSA-N 2 1 318.461 2.674 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000415937621 428631029 /nfs/dbraw/zinc/63/10/29/428631029.db2.gz YKWSGOHVBMCWSA-MRXNPFEDSA-N 2 1 318.465 2.744 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000373517280 428595927 /nfs/dbraw/zinc/59/59/27/428595927.db2.gz SVXSWBVGOSUBDV-FGTMMUONSA-N 2 1 323.525 2.641 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@H]1c1ccccc1 ZINC000415965259 428637345 /nfs/dbraw/zinc/63/73/45/428637345.db2.gz XTASWUGMLMZVLH-ZWKOTPCHSA-N 2 1 324.428 2.712 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000415976676 428640185 /nfs/dbraw/zinc/64/01/85/428640185.db2.gz WQJWXLUOENNXQY-KRWDZBQOSA-N 2 1 318.465 2.744 20 0 DFADMP COCC[C@H](COC)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000353654004 428640529 /nfs/dbraw/zinc/64/05/29/428640529.db2.gz ZGBBHWCFKNMIQZ-WMLDXEAASA-N 2 1 317.433 2.883 20 0 DFADMP CC1(C)CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000358728965 428643556 /nfs/dbraw/zinc/64/35/56/428643556.db2.gz XCFGNCRLUZHTLL-PKOBYXMFSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000358728965 428643561 /nfs/dbraw/zinc/64/35/61/428643561.db2.gz XCFGNCRLUZHTLL-PKOBYXMFSA-N 2 1 302.462 2.792 20 0 DFADMP CCOC(=O)c1coc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000353644617 428635763 /nfs/dbraw/zinc/63/57/63/428635763.db2.gz AIJQUJHAVCYYMF-OAHLLOKOSA-N 2 1 320.433 2.620 20 0 DFADMP Cn1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c2ccccc21 ZINC000353676370 428651116 /nfs/dbraw/zinc/65/11/16/428651116.db2.gz XQOWQKFPOSAIIG-HFTRVMKXSA-N 2 1 312.461 2.578 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090060615 274148589 /nfs/dbraw/zinc/14/85/89/274148589.db2.gz APLAOMZAHAFQLF-RVKKMQEKSA-N 2 1 306.450 2.782 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCCNC(C)=O)CC1)CC(C)C ZINC000358738974 428652052 /nfs/dbraw/zinc/65/20/52/428652052.db2.gz UDYUDTPDXLQITP-UHFFFAOYSA-N 2 1 311.514 2.593 20 0 DFADMP COCCSCCC[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000373895649 428654165 /nfs/dbraw/zinc/65/41/65/428654165.db2.gz AWSPUJRUXOESOJ-INIZCTEOSA-N 2 1 300.512 2.706 20 0 DFADMP COCCSCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000373895650 428655229 /nfs/dbraw/zinc/65/52/29/428655229.db2.gz AWSPUJRUXOESOJ-MRXNPFEDSA-N 2 1 300.512 2.706 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(-n2cccn2)cc1 ZINC000279040216 274249344 /nfs/dbraw/zinc/24/93/44/274249344.db2.gz XCICZOHOHSYTSU-CVEARBPZSA-N 2 1 321.428 2.982 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CC[C@H](CCO)C1 ZINC000353689495 428659607 /nfs/dbraw/zinc/65/96/07/428659607.db2.gz PYRNUYVNCIEYNN-GOSISDBHSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CC[C@H](CCO)C1 ZINC000353689495 428659611 /nfs/dbraw/zinc/65/96/11/428659611.db2.gz PYRNUYVNCIEYNN-GOSISDBHSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CC[C@H](CCO)C1 ZINC000353689495 428659615 /nfs/dbraw/zinc/65/96/15/428659615.db2.gz PYRNUYVNCIEYNN-GOSISDBHSA-N 2 1 304.478 2.849 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000152527979 274339477 /nfs/dbraw/zinc/33/94/77/274339477.db2.gz AOGDSUXIGWAICU-VUHPKUFZSA-N 2 1 301.478 2.831 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000416242298 428698696 /nfs/dbraw/zinc/69/86/96/428698696.db2.gz FUPGLBCIFKXOJJ-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1cccc(C)c1NC(=O)CN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000362316515 428701120 /nfs/dbraw/zinc/70/11/20/428701120.db2.gz DXQKUMAALSWQMX-IRXDYDNUSA-N 2 1 315.461 2.658 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000374593591 428707007 /nfs/dbraw/zinc/70/70/07/428707007.db2.gz JNNRWCCFLOLCSH-QGZVFWFLSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2ccc(F)cc2)C1 ZINC000374593591 428707012 /nfs/dbraw/zinc/70/70/12/428707012.db2.gz JNNRWCCFLOLCSH-QGZVFWFLSA-N 2 1 303.381 2.874 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000344805168 428708006 /nfs/dbraw/zinc/70/80/06/428708006.db2.gz DKQSDAIRQBOWSJ-HOTGVXAUSA-N 2 1 309.498 2.630 20 0 DFADMP CCCCC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358873496 428712087 /nfs/dbraw/zinc/71/20/87/428712087.db2.gz OKWQBUATOYDNKY-IRXDYDNUSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@@H]1C[NH+](CCOC2CC[NH+]([C@H]3C=CCCC3)CC2)C[C@@H](C)O1 ZINC000358878588 428715357 /nfs/dbraw/zinc/71/53/57/428715357.db2.gz ZUWAEWYZDZQGKF-KURKYZTESA-N 2 1 322.493 2.685 20 0 DFADMP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c(C)s1 ZINC000374626511 428716977 /nfs/dbraw/zinc/71/69/77/428716977.db2.gz VVRHAUIKNAIZAJ-AWEZNQCLSA-N 2 1 321.534 2.965 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](CO)CC(F)F)cc1 ZINC000348404043 428734040 /nfs/dbraw/zinc/73/40/40/428734040.db2.gz IWLNSWSVKYOMSE-FZMZJTMJSA-N 2 1 309.360 2.847 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)[C@H]2CCC[C@@H]21 ZINC000353806046 428725996 /nfs/dbraw/zinc/72/59/96/428725996.db2.gz PFYZJBQVVJLGED-MSQSPTIYSA-N 2 1 320.502 2.528 20 0 DFADMP c1cn2c(CN[C@H]3CC[N@H+]4CCC[C@@H]4C3)c(C3CC3)nc2s1 ZINC000362253580 428676808 /nfs/dbraw/zinc/67/68/08/428676808.db2.gz FRQQEBOTFFDAQX-UONOGXRCSA-N 2 1 316.474 2.990 20 0 DFADMP c1cn2c(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c(C3CC3)nc2s1 ZINC000362253580 428676814 /nfs/dbraw/zinc/67/68/14/428676814.db2.gz FRQQEBOTFFDAQX-UONOGXRCSA-N 2 1 316.474 2.990 20 0 DFADMP c1cn2c(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c(C3CC3)nc2s1 ZINC000362253580 428676819 /nfs/dbraw/zinc/67/68/19/428676819.db2.gz FRQQEBOTFFDAQX-UONOGXRCSA-N 2 1 316.474 2.990 20 0 DFADMP COc1ccc2nc(C[NH2+]CCn3cc[nH+]c3C)sc2c1 ZINC000353734318 428682263 /nfs/dbraw/zinc/68/22/63/428682263.db2.gz DRMLUYBXADQRDE-UHFFFAOYSA-N 2 1 302.403 2.600 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358966197 428752476 /nfs/dbraw/zinc/75/24/76/428752476.db2.gz ODHMMGTZIGANIC-DOTOQJQBSA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358966197 428752481 /nfs/dbraw/zinc/75/24/81/428752481.db2.gz ODHMMGTZIGANIC-DOTOQJQBSA-N 2 1 304.482 2.755 20 0 DFADMP COc1ccc2c(c1)OCC[N@@H+](CCCCn1cc[nH+]c1C)C2 ZINC000374843875 428763722 /nfs/dbraw/zinc/76/37/22/428763722.db2.gz JIERQZPQLHSWNO-UHFFFAOYSA-N 2 1 315.417 2.875 20 0 DFADMP COc1ccc2c(c1)OCC[N@H+](CCCCn1cc[nH+]c1C)C2 ZINC000374843875 428763726 /nfs/dbraw/zinc/76/37/26/428763726.db2.gz JIERQZPQLHSWNO-UHFFFAOYSA-N 2 1 315.417 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](C)CCN1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267674 428767382 /nfs/dbraw/zinc/76/73/82/428767382.db2.gz ZFJSXRQLWPPOFC-QGZVFWFLSA-N 2 1 301.478 2.808 20 0 DFADMP C[C@@H]1CN(C)CC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267674 428767383 /nfs/dbraw/zinc/76/73/83/428767383.db2.gz ZFJSXRQLWPPOFC-QGZVFWFLSA-N 2 1 301.478 2.808 20 0 DFADMP C[C@@H]1CN(C)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411267674 428767387 /nfs/dbraw/zinc/76/73/87/428767387.db2.gz ZFJSXRQLWPPOFC-QGZVFWFLSA-N 2 1 301.478 2.808 20 0 DFADMP C[C@H](CC[NH+]1[C@@H](C)COC[C@@H]1C)CC[N@@H+]1[C@H](C)COC[C@@H]1C ZINC000411279759 428770853 /nfs/dbraw/zinc/77/08/53/428770853.db2.gz CPOQESGOWCNVNE-JCECYMMASA-N 2 1 312.498 2.621 20 0 DFADMP CCCNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000411286890 428771937 /nfs/dbraw/zinc/77/19/37/428771937.db2.gz YGRKLJARFDILJZ-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000411286890 428771942 /nfs/dbraw/zinc/77/19/42/428771942.db2.gz YGRKLJARFDILJZ-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000411286890 428771948 /nfs/dbraw/zinc/77/19/48/428771948.db2.gz YGRKLJARFDILJZ-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP COC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411307505 428774656 /nfs/dbraw/zinc/77/46/56/428774656.db2.gz HHLAEEGCODZBDX-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP COC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411307505 428774663 /nfs/dbraw/zinc/77/46/63/428774663.db2.gz HHLAEEGCODZBDX-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@@H]1C ZINC000353944132 428790182 /nfs/dbraw/zinc/79/01/82/428790182.db2.gz JSYKXTKZKRVNBD-YVSFHVDLSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCC[C@H]3C)C2)CC1 ZINC000374964195 428793516 /nfs/dbraw/zinc/79/35/16/428793516.db2.gz PIKOGIWCKXBGFI-QYZOEREBSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@H]([NH2+]CCC1CC(O)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348417454 428738376 /nfs/dbraw/zinc/73/83/76/428738376.db2.gz UNHDCQZJXOOJBQ-BARLLCKDSA-N 2 1 302.462 2.648 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1OC ZINC000348428263 428742532 /nfs/dbraw/zinc/74/25/32/428742532.db2.gz YKTJVKOCGWHOOW-MRXNPFEDSA-N 2 1 306.450 2.928 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c(C)c1OC ZINC000348428263 428742536 /nfs/dbraw/zinc/74/25/36/428742536.db2.gz YKTJVKOCGWHOOW-MRXNPFEDSA-N 2 1 306.450 2.928 20 0 DFADMP C[C@@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411117650 428743873 /nfs/dbraw/zinc/74/38/73/428743873.db2.gz LXCNHDSDEFIUQB-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000411117650 428743879 /nfs/dbraw/zinc/74/38/79/428743879.db2.gz LXCNHDSDEFIUQB-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000411117650 428743882 /nfs/dbraw/zinc/74/38/82/428743882.db2.gz LXCNHDSDEFIUQB-IEBWSBKVSA-N 2 1 301.478 2.677 20 0 DFADMP NC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411150981 428749063 /nfs/dbraw/zinc/74/90/63/428749063.db2.gz ADVCXJXSGZFVOV-SFHVURJKSA-N 2 1 315.461 2.512 20 0 DFADMP NC(=O)[C@@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411150981 428749069 /nfs/dbraw/zinc/74/90/69/428749069.db2.gz ADVCXJXSGZFVOV-SFHVURJKSA-N 2 1 315.461 2.512 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374778680 428750967 /nfs/dbraw/zinc/75/09/67/428750967.db2.gz JLPGPSJROMHRRC-UHFFFAOYSA-N 2 1 300.381 2.905 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC=C(c2cncc(F)c2)CC1 ZINC000374778680 428750974 /nfs/dbraw/zinc/75/09/74/428750974.db2.gz JLPGPSJROMHRRC-UHFFFAOYSA-N 2 1 300.381 2.905 20 0 DFADMP COCCOCC[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411736926 428849540 /nfs/dbraw/zinc/84/95/40/428849540.db2.gz OATUEYHBRSBRNU-UHFFFAOYSA-N 2 1 320.477 2.767 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000354078073 428850764 /nfs/dbraw/zinc/85/07/64/428850764.db2.gz MNVJMUSZNNBFAM-CYBMUJFWSA-N 2 1 300.830 2.866 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000354078073 428850771 /nfs/dbraw/zinc/85/07/71/428850771.db2.gz MNVJMUSZNNBFAM-CYBMUJFWSA-N 2 1 300.830 2.866 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1)C1CC1 ZINC000353962776 428795721 /nfs/dbraw/zinc/79/57/21/428795721.db2.gz UYFXMPSMFCKGAL-OAHLLOKOSA-N 2 1 317.477 2.741 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000353972408 428800684 /nfs/dbraw/zinc/80/06/84/428800684.db2.gz NMFSSYGPYCVKIB-PQUAAJSLSA-N 2 1 310.482 2.962 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000353972408 428800689 /nfs/dbraw/zinc/80/06/89/428800689.db2.gz NMFSSYGPYCVKIB-PQUAAJSLSA-N 2 1 310.482 2.962 20 0 DFADMP O[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@H]12 ZINC000411497708 428804407 /nfs/dbraw/zinc/80/44/07/428804407.db2.gz ABBQPJKQLJGTBS-HSALFYBXSA-N 2 1 314.473 2.875 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC(C)(C)[NH+](C)C ZINC000362806360 428807114 /nfs/dbraw/zinc/80/71/14/428807114.db2.gz NHHUAUPTOYIPCI-WMZOPIPTSA-N 2 1 303.494 2.827 20 0 DFADMP O[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC12CC2 ZINC000411559716 428815781 /nfs/dbraw/zinc/81/57/81/428815781.db2.gz APLDJIIWDRPNEH-SFHVURJKSA-N 2 1 300.446 2.629 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@@H]1O ZINC000411568505 428820489 /nfs/dbraw/zinc/82/04/89/428820489.db2.gz LBKIJANSAYASSG-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N1CC[N@@H+](C)CC[C@H]1C)c1ccccc1 ZINC000354010709 428820619 /nfs/dbraw/zinc/82/06/19/428820619.db2.gz YAPLNFIWGBTRAU-SJLPKXTDSA-N 2 1 317.477 2.622 20 0 DFADMP OC[C@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411603838 428821372 /nfs/dbraw/zinc/82/13/72/428821372.db2.gz FKXKJAUVEZXKLA-ZWKOTPCHSA-N 2 1 306.425 2.577 20 0 DFADMP OC[C@H]1C[C@H](F)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411603838 428821379 /nfs/dbraw/zinc/82/13/79/428821379.db2.gz FKXKJAUVEZXKLA-ZWKOTPCHSA-N 2 1 306.425 2.577 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1CO ZINC000411614425 428826240 /nfs/dbraw/zinc/82/62/40/428826240.db2.gz KPBSWBDUUHMSRV-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000354026531 428827036 /nfs/dbraw/zinc/82/70/36/428827036.db2.gz VHCUCYXYNRPJPC-UHFFFAOYSA-N 2 1 305.466 2.578 20 0 DFADMP Cc1ccsc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000354025400 428829002 /nfs/dbraw/zinc/82/90/02/428829002.db2.gz CYQYTDLPOZCZBW-HOTGVXAUSA-N 2 1 307.507 2.514 20 0 DFADMP C[C@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411655608 428834913 /nfs/dbraw/zinc/83/49/13/428834913.db2.gz LNPOOMQATMIUSQ-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP CC(C)C(C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1)C(C)C ZINC000375273062 428839475 /nfs/dbraw/zinc/83/94/75/428839475.db2.gz WQWQNVCVNYWTKI-PKOBYXMFSA-N 2 1 309.542 2.872 20 0 DFADMP OC[C@@]1(F)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411706553 428844383 /nfs/dbraw/zinc/84/43/83/428844383.db2.gz XOPSUQJFXIJSNZ-GOSISDBHSA-N 2 1 306.425 2.579 20 0 DFADMP OC[C@@]1(F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411706553 428844389 /nfs/dbraw/zinc/84/43/89/428844389.db2.gz XOPSUQJFXIJSNZ-GOSISDBHSA-N 2 1 306.425 2.579 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059420 428910168 /nfs/dbraw/zinc/91/01/68/428910168.db2.gz BMDHZSGKWGWSHM-MAUKXSAKSA-N 2 1 319.493 2.861 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059420 428910172 /nfs/dbraw/zinc/91/01/72/428910172.db2.gz BMDHZSGKWGWSHM-MAUKXSAKSA-N 2 1 319.493 2.861 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@H](COC)Cc1ccccc1 ZINC000359185547 428857595 /nfs/dbraw/zinc/85/75/95/428857595.db2.gz FTFWMJSLKPZGLC-IBGZPJMESA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(OC)c(C)c2)C1 ZINC000354095946 428861057 /nfs/dbraw/zinc/86/10/57/428861057.db2.gz GDTHFNYNMQXKNP-GOSISDBHSA-N 2 1 320.477 2.936 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349571 428863124 /nfs/dbraw/zinc/86/31/24/428863124.db2.gz NQNJRTZCXUIRQA-HNNXBMFYSA-N 2 1 323.431 2.961 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349571 428863131 /nfs/dbraw/zinc/86/31/31/428863131.db2.gz NQNJRTZCXUIRQA-HNNXBMFYSA-N 2 1 323.431 2.961 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349571 428863136 /nfs/dbraw/zinc/86/31/36/428863136.db2.gz NQNJRTZCXUIRQA-HNNXBMFYSA-N 2 1 323.431 2.961 20 0 DFADMP COc1ccc(OC)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000354100424 428863827 /nfs/dbraw/zinc/86/38/27/428863827.db2.gz MKBAWFWKKAYRFB-INIZCTEOSA-N 2 1 318.461 2.868 20 0 DFADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000359209642 428866971 /nfs/dbraw/zinc/86/69/71/428866971.db2.gz DEHIUZRAACJKSY-IBGZPJMESA-N 3 1 307.526 2.964 20 0 DFADMP COCC[N@@H+](CCCc1ccccc1)CCC1CC[NH2+]CC1 ZINC000359225939 428874962 /nfs/dbraw/zinc/87/49/62/428874962.db2.gz VGPLMCSUJHWTTA-UHFFFAOYSA-N 2 1 304.478 2.957 20 0 DFADMP CCn1cncc1C[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000418064362 428878402 /nfs/dbraw/zinc/87/84/02/428878402.db2.gz IACHIDUMECTRLK-UHFFFAOYSA-N 2 1 300.450 2.987 20 0 DFADMP CCn1cncc1C[N@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000418133844 428886008 /nfs/dbraw/zinc/88/60/08/428886008.db2.gz GLZGROBVIAXNGC-HNNXBMFYSA-N 2 1 313.449 2.815 20 0 DFADMP CCC[C@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348973668 428891119 /nfs/dbraw/zinc/89/11/19/428891119.db2.gz IJHYRTRJGSWERY-RTBURBONSA-N 2 1 301.478 2.550 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000375466047 428893209 /nfs/dbraw/zinc/89/32/09/428893209.db2.gz BJHYYMYRTBCIDJ-IBGZPJMESA-N 2 1 313.445 2.651 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000375466047 428893214 /nfs/dbraw/zinc/89/32/14/428893214.db2.gz BJHYYMYRTBCIDJ-IBGZPJMESA-N 2 1 313.445 2.651 20 0 DFADMP Cc1cccc([C@H](C)[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000363287520 428899953 /nfs/dbraw/zinc/89/99/53/428899953.db2.gz FUKWLLBUDMHRPN-PKOBYXMFSA-N 2 1 301.478 2.768 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(F)cc1 ZINC000349080147 428914668 /nfs/dbraw/zinc/91/46/68/428914668.db2.gz SLEPTPVPGPLJER-GOSISDBHSA-N 2 1 307.457 2.674 20 0 DFADMP COc1ccc([C@H](O)[C@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000363458697 428919151 /nfs/dbraw/zinc/91/91/51/428919151.db2.gz ACZWXJRZPHURQK-MOPGFXCFSA-N 2 1 318.461 2.679 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119613 428924451 /nfs/dbraw/zinc/92/44/51/428924451.db2.gz QUTTXGZZOWMZOA-MSOLQXFVSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226269 428926361 /nfs/dbraw/zinc/92/63/61/428926361.db2.gz VXZQTQCOKRJJTO-WMZOPIPTSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226269 428926366 /nfs/dbraw/zinc/92/63/66/428926366.db2.gz VXZQTQCOKRJJTO-WMZOPIPTSA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2C)C[C@@H]1C ZINC000354224018 428926831 /nfs/dbraw/zinc/92/68/31/428926831.db2.gz MSPVORUCIDPYMX-JKSUJKDBSA-N 2 1 303.450 2.738 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226708 428930622 /nfs/dbraw/zinc/93/06/22/428930622.db2.gz XMZSOFFQTOSARS-KDOFPFPSSA-N 2 1 303.450 2.950 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226708 428930629 /nfs/dbraw/zinc/93/06/29/428930629.db2.gz XMZSOFFQTOSARS-KDOFPFPSSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226708 428930632 /nfs/dbraw/zinc/93/06/32/428930632.db2.gz XMZSOFFQTOSARS-KDOFPFPSSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226708 428930637 /nfs/dbraw/zinc/93/06/37/428930637.db2.gz XMZSOFFQTOSARS-KDOFPFPSSA-N 2 1 303.450 2.950 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226712 428930734 /nfs/dbraw/zinc/93/07/34/428930734.db2.gz XMZSOFFQTOSARS-RDTXWAMCSA-N 2 1 303.450 2.950 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226712 428930736 /nfs/dbraw/zinc/93/07/36/428930736.db2.gz XMZSOFFQTOSARS-RDTXWAMCSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226712 428930741 /nfs/dbraw/zinc/93/07/41/428930741.db2.gz XMZSOFFQTOSARS-RDTXWAMCSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C[C@H]1C ZINC000354226712 428930746 /nfs/dbraw/zinc/93/07/46/428930746.db2.gz XMZSOFFQTOSARS-RDTXWAMCSA-N 2 1 303.450 2.950 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCC(F)(F)F ZINC000363521077 428933733 /nfs/dbraw/zinc/93/37/33/428933733.db2.gz AHVWNDPNYZYWIL-HZSPNIEDSA-N 2 1 308.388 2.808 20 0 DFADMP Cc1cc(N[C@H](C)C[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000121382979 274719876 /nfs/dbraw/zinc/71/98/76/274719876.db2.gz PCIRAVKOMDHREV-CYBMUJFWSA-N 2 1 303.381 2.815 20 0 DFADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375673338 428937143 /nfs/dbraw/zinc/93/71/43/428937143.db2.gz FPODCWWEHKMPFV-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375673338 428937148 /nfs/dbraw/zinc/93/71/48/428937148.db2.gz FPODCWWEHKMPFV-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375673338 428937153 /nfs/dbraw/zinc/93/71/53/428937153.db2.gz FPODCWWEHKMPFV-AEFFLSMTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000375673340 428938126 /nfs/dbraw/zinc/93/81/26/428938126.db2.gz FPODCWWEHKMPFV-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000375673340 428938129 /nfs/dbraw/zinc/93/81/29/428938129.db2.gz FPODCWWEHKMPFV-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000375673340 428938136 /nfs/dbraw/zinc/93/81/36/428938136.db2.gz FPODCWWEHKMPFV-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000375673437 428940640 /nfs/dbraw/zinc/94/06/40/428940640.db2.gz PZRAWLLGEALLSO-RYUDHWBXSA-N 2 1 319.380 2.780 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC000345586289 428947152 /nfs/dbraw/zinc/94/71/52/428947152.db2.gz NZQJRLXMPKFLLC-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000354273164 428949525 /nfs/dbraw/zinc/94/95/25/428949525.db2.gz RVHJHDJMVSYPGY-ZWKOTPCHSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](F)CC[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000375714599 428951538 /nfs/dbraw/zinc/95/15/38/428951538.db2.gz PDSJJEPWDCPDTH-MRXNPFEDSA-N 2 1 313.505 2.863 20 0 DFADMP C[C@@H](F)CC[N@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375714599 428951542 /nfs/dbraw/zinc/95/15/42/428951542.db2.gz PDSJJEPWDCPDTH-MRXNPFEDSA-N 3 1 313.505 2.863 20 0 DFADMP C[C@@H](F)CC[N@@H+](C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000375714599 428951548 /nfs/dbraw/zinc/95/15/48/428951548.db2.gz PDSJJEPWDCPDTH-MRXNPFEDSA-N 3 1 313.505 2.863 20 0 DFADMP C[C@@H]1CCC[C@H](CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000363615489 428955234 /nfs/dbraw/zinc/95/52/34/428955234.db2.gz JLBILFIDQWDEKV-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP COCCSCCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375734661 428957584 /nfs/dbraw/zinc/95/75/84/428957584.db2.gz XHOTWNLAHRZKIA-RDJZCZTQSA-N 2 1 312.523 2.705 20 0 DFADMP COCCSCCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000375734661 428957591 /nfs/dbraw/zinc/95/75/91/428957591.db2.gz XHOTWNLAHRZKIA-RDJZCZTQSA-N 2 1 312.523 2.705 20 0 DFADMP COCCSCCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000375734661 428957593 /nfs/dbraw/zinc/95/75/93/428957593.db2.gz XHOTWNLAHRZKIA-RDJZCZTQSA-N 2 1 312.523 2.705 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+]CC3(C)COC3)CC2)cs1 ZINC000375739853 428959835 /nfs/dbraw/zinc/95/98/35/428959835.db2.gz CFCRLPDOKKJJGG-UHFFFAOYSA-N 2 1 323.506 2.544 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@H+](C)[C@@H]1c1cccs1 ZINC000375751143 428960893 /nfs/dbraw/zinc/96/08/93/428960893.db2.gz QHVCWPLQWNTOMP-CJNGLKHVSA-N 2 1 304.463 2.573 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000375751143 428960896 /nfs/dbraw/zinc/96/08/96/428960896.db2.gz QHVCWPLQWNTOMP-CJNGLKHVSA-N 2 1 304.463 2.573 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000423541633 428967835 /nfs/dbraw/zinc/96/78/35/428967835.db2.gz FRONWDPSSIJYCW-UEDWAMCQSA-N 3 1 313.489 2.800 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)C[C@H]1c1ccccc1 ZINC000423541633 428967841 /nfs/dbraw/zinc/96/78/41/428967841.db2.gz FRONWDPSSIJYCW-UEDWAMCQSA-N 3 1 313.489 2.800 20 0 DFADMP CC(C)C[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C1 ZINC000354327528 428970250 /nfs/dbraw/zinc/97/02/50/428970250.db2.gz HHFHRKJRURTXOA-KSZLIROESA-N 2 1 323.525 2.768 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3c(cccc3C)n2)C[C@@H]1C ZINC000354202028 428912005 /nfs/dbraw/zinc/91/20/05/428912005.db2.gz CZSGVNWXBQERBK-RDJZCZTQSA-N 2 1 300.450 2.947 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000375928520 429019382 /nfs/dbraw/zinc/01/93/82/429019382.db2.gz AYRPXOWDDFYDGP-SFHVURJKSA-N 2 1 321.509 2.773 20 0 DFADMP Cc1cc(F)ccc1[C@H]1CCCN1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000451987075 429031893 /nfs/dbraw/zinc/03/18/93/429031893.db2.gz JGNGFUVMVTWKHQ-FUHWJXTLSA-N 2 1 306.425 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000451987075 429031900 /nfs/dbraw/zinc/03/19/00/429031900.db2.gz JGNGFUVMVTWKHQ-FUHWJXTLSA-N 2 1 306.425 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000451987075 429031906 /nfs/dbraw/zinc/03/19/06/429031906.db2.gz JGNGFUVMVTWKHQ-FUHWJXTLSA-N 2 1 306.425 2.726 20 0 DFADMP C[C@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360866 428972730 /nfs/dbraw/zinc/97/27/30/428972730.db2.gz AYZLCGKHYWZHJV-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360866 428972735 /nfs/dbraw/zinc/97/27/35/428972735.db2.gz AYZLCGKHYWZHJV-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360866 428972743 /nfs/dbraw/zinc/97/27/43/428972743.db2.gz AYZLCGKHYWZHJV-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000349360866 428972747 /nfs/dbraw/zinc/97/27/47/428972747.db2.gz AYZLCGKHYWZHJV-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000375789849 428975013 /nfs/dbraw/zinc/97/50/13/428975013.db2.gz VBLQYCFNZFXPLF-QFBILLFUSA-N 2 1 319.468 2.816 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C1C(C)(C)C1(C)C ZINC000354335553 428975850 /nfs/dbraw/zinc/97/58/50/428975850.db2.gz SKBQNKVJBYYSLW-HNNXBMFYSA-N 2 1 309.542 2.920 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000375801035 428979655 /nfs/dbraw/zinc/97/96/55/428979655.db2.gz GWOUBVPTNNRWKF-DFBDCSAJSA-N 2 1 312.473 2.994 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]1CCF ZINC000375801035 428979658 /nfs/dbraw/zinc/97/96/58/428979658.db2.gz GWOUBVPTNNRWKF-DFBDCSAJSA-N 2 1 312.473 2.994 20 0 DFADMP c1[nH]nc2c1CC[C@@H]([NH2+]C1CC[NH+](CCc3ccccc3)CC1)C2 ZINC000363759746 428985972 /nfs/dbraw/zinc/98/59/72/428985972.db2.gz XJIGFODSCXSXHJ-LJQANCHMSA-N 2 1 324.472 2.564 20 0 DFADMP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423644059 428987907 /nfs/dbraw/zinc/98/79/07/428987907.db2.gz ZEOQSGBDSDADNQ-ROUUACIJSA-N 2 1 317.477 2.627 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000375845508 428994206 /nfs/dbraw/zinc/99/42/06/428994206.db2.gz YLPZWOCORPHCBO-QWHCGFSZSA-N 2 1 301.390 2.566 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375849187 428995786 /nfs/dbraw/zinc/99/57/86/428995786.db2.gz GCTUPVCLRFPPHJ-UHFFFAOYSA-N 2 1 316.424 2.933 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375849187 428995791 /nfs/dbraw/zinc/99/57/91/428995791.db2.gz GCTUPVCLRFPPHJ-UHFFFAOYSA-N 2 1 316.424 2.933 20 0 DFADMP Fc1ccccc1N1CCC[N@H+](CCC[NH+]2CCCC2)CC1 ZINC000375855247 428998878 /nfs/dbraw/zinc/99/88/78/428998878.db2.gz ZUQJLZSXHGNGRH-UHFFFAOYSA-N 2 1 305.441 2.824 20 0 DFADMP Fc1ccccc1N1CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000375855247 428998883 /nfs/dbraw/zinc/99/88/83/428998883.db2.gz ZUQJLZSXHGNGRH-UHFFFAOYSA-N 2 1 305.441 2.824 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)c1 ZINC000375868824 429002591 /nfs/dbraw/zinc/00/25/91/429002591.db2.gz HAIWKCDTHTUCSA-MSOLQXFVSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000375868824 429002594 /nfs/dbraw/zinc/00/25/94/429002594.db2.gz HAIWKCDTHTUCSA-MSOLQXFVSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)c1 ZINC000375868824 429002600 /nfs/dbraw/zinc/00/26/00/429002600.db2.gz HAIWKCDTHTUCSA-MSOLQXFVSA-N 2 1 316.493 2.998 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000423726231 429005499 /nfs/dbraw/zinc/00/54/99/429005499.db2.gz JGXZJAPGRXDTOA-CYGHRXIMSA-N 2 1 315.461 2.550 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000423726231 429005503 /nfs/dbraw/zinc/00/55/03/429005503.db2.gz JGXZJAPGRXDTOA-CYGHRXIMSA-N 2 1 315.461 2.550 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(F)c3)C2)CC1 ZINC000375888011 429007154 /nfs/dbraw/zinc/00/71/54/429007154.db2.gz FJILGLKWHYLUJR-LPHOPBHVSA-N 2 1 319.468 2.987 20 0 DFADMP COCC[N@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCSC1 ZINC000433187343 429008188 /nfs/dbraw/zinc/00/81/88/429008188.db2.gz OBVMYAQLZUXNCD-MRXNPFEDSA-N 2 1 311.495 2.816 20 0 DFADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)[C@@H]1CCCSC1 ZINC000433187343 429008192 /nfs/dbraw/zinc/00/81/92/429008192.db2.gz OBVMYAQLZUXNCD-MRXNPFEDSA-N 2 1 311.495 2.816 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000423446155 429089544 /nfs/dbraw/zinc/08/95/44/429089544.db2.gz SNSXDXSYYWFNBX-GJZGRUSLSA-N 2 1 303.450 2.510 20 0 DFADMP COc1cc2c(cc1F)CC[C@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423470206 429091657 /nfs/dbraw/zinc/09/16/57/429091657.db2.gz GOTDQWXPUQRABJ-SMDDNHRTSA-N 2 1 314.351 2.656 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2C[NH2+]CCC2(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000423470438 429091737 /nfs/dbraw/zinc/09/17/37/429091737.db2.gz DKDUCCJGWJLQBW-OIISXLGYSA-N 2 1 323.431 2.626 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423465304 429091790 /nfs/dbraw/zinc/09/17/90/429091790.db2.gz HPJNPIXTFIQRDO-XGXHKWSGSA-N 3 1 301.478 2.929 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C[C@@H]1c1ccccc1 ZINC000423465304 429091793 /nfs/dbraw/zinc/09/17/93/429091793.db2.gz HPJNPIXTFIQRDO-XGXHKWSGSA-N 3 1 301.478 2.929 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2C[NH2+]CCC2(F)F)CCC[N@H+]1Cc1ccccc1 ZINC000423470436 429091832 /nfs/dbraw/zinc/09/18/32/429091832.db2.gz DKDUCCJGWJLQBW-DJIMGWMZSA-N 2 1 323.431 2.626 20 0 DFADMP CCc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423481101 429093696 /nfs/dbraw/zinc/09/36/96/429093696.db2.gz PSQCIVVPLXCNFC-MNOVXSKESA-N 2 1 315.433 2.917 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2O1 ZINC000424129016 429095627 /nfs/dbraw/zinc/09/56/27/429095627.db2.gz FVBBIUPKPGXSAH-QWHCGFSZSA-N 2 1 310.344 2.725 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2O1 ZINC000424129016 429095630 /nfs/dbraw/zinc/09/56/30/429095630.db2.gz FVBBIUPKPGXSAH-QWHCGFSZSA-N 2 1 310.344 2.725 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421838283 429037915 /nfs/dbraw/zinc/03/79/15/429037915.db2.gz VFFKWOBFSXLQLX-UONOGXRCSA-N 2 1 311.857 2.623 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCC[NH2+]CC2)CC1 ZINC000376335603 429096379 /nfs/dbraw/zinc/09/63/79/429096379.db2.gz KOPBPPWJCSQYFW-QGZVFWFLSA-N 2 1 323.525 2.737 20 0 DFADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000421872224 429043778 /nfs/dbraw/zinc/04/37/78/429043778.db2.gz GNTPSLVLIJUBLJ-WJFTUGDTSA-N 2 1 302.462 2.790 20 0 DFADMP C[NH2+]C[C@@H](C)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423281627 429056166 /nfs/dbraw/zinc/05/61/66/429056166.db2.gz VVUIAZLDVQOQFQ-OQIJWPOYSA-N 2 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423281627 429056171 /nfs/dbraw/zinc/05/61/71/429056171.db2.gz VVUIAZLDVQOQFQ-OQIJWPOYSA-N 3 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423281627 429056173 /nfs/dbraw/zinc/05/61/73/429056173.db2.gz VVUIAZLDVQOQFQ-OQIJWPOYSA-N 3 1 301.478 2.627 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](CN)C2CC2)CC1 ZINC000423285195 429057477 /nfs/dbraw/zinc/05/74/77/429057477.db2.gz XYVHDWDEMRVBJW-ACBHZAAOSA-N 2 1 301.478 2.757 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000423285195 429057479 /nfs/dbraw/zinc/05/74/79/429057479.db2.gz XYVHDWDEMRVBJW-ACBHZAAOSA-N 3 1 301.478 2.757 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H](C[NH3+])C2CC2)CC1 ZINC000423285195 429057482 /nfs/dbraw/zinc/05/74/82/429057482.db2.gz XYVHDWDEMRVBJW-ACBHZAAOSA-N 3 1 301.478 2.757 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](OCC)[C@@H]1Oc1ccccc1 ZINC000423297032 429061270 /nfs/dbraw/zinc/06/12/70/429061270.db2.gz IKVXYWIBVUHQHO-NRSFXHEJSA-N 2 1 306.450 2.719 20 0 DFADMP C[C@@H](C[NH3+])C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423297540 429061516 /nfs/dbraw/zinc/06/15/16/429061516.db2.gz KSPIZEDVHSWUFZ-UFBFGSQYSA-N 2 1 301.203 2.760 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C ZINC000423321048 429062790 /nfs/dbraw/zinc/06/27/90/429062790.db2.gz FXMSKWXDGPDQMQ-CVEARBPZSA-N 2 1 309.498 2.535 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)cc1 ZINC000423953705 429063137 /nfs/dbraw/zinc/06/31/37/429063137.db2.gz QTXGFZHQSFWGKQ-SFHVURJKSA-N 2 1 317.477 2.728 20 0 DFADMP [NH3+]C1(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CCC1 ZINC000423324109 429064830 /nfs/dbraw/zinc/06/48/30/429064830.db2.gz IIOJJDVUXIVVLZ-IPMKNSEASA-N 2 1 313.489 2.901 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000423960711 429065383 /nfs/dbraw/zinc/06/53/83/429065383.db2.gz NMDHTLLMNQVWCO-ZWKOTPCHSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323549 429065616 /nfs/dbraw/zinc/06/56/16/429065616.db2.gz ICFOXDROZKKVKV-IEBWSBKVSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323549 429065620 /nfs/dbraw/zinc/06/56/20/429065620.db2.gz ICFOXDROZKKVKV-IEBWSBKVSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@H+]1CCCC[C@H]1C ZINC000423335068 429067762 /nfs/dbraw/zinc/06/77/62/429067762.db2.gz TXRUFKSOQUDGII-KFWWJZLASA-N 2 1 303.450 2.699 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC(NCC(F)(F)C[NH3+])CC1 ZINC000423333284 429068435 /nfs/dbraw/zinc/06/84/35/429068435.db2.gz FCHDGWUSAJQUGO-UHFFFAOYSA-N 2 1 305.457 2.849 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CC[NH2+]C2)CC1 ZINC000423351217 429069850 /nfs/dbraw/zinc/06/98/50/429069850.db2.gz YTNKSSURVGUVPK-LMDPOFIKSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@]2(C)CCC[NH2+]C2)C[N@H+]1Cc1ccccc1 ZINC000423343623 429070203 /nfs/dbraw/zinc/07/02/03/429070203.db2.gz XACXHDQBMOOVMV-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@]2(C)CCC[NH2+]C2)CN1Cc1ccccc1 ZINC000423343623 429070206 /nfs/dbraw/zinc/07/02/06/429070206.db2.gz XACXHDQBMOOVMV-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423345618 429070316 /nfs/dbraw/zinc/07/03/16/429070316.db2.gz PGPGUZCNRPCAFH-YSIASYRMSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423345618 429070320 /nfs/dbraw/zinc/07/03/20/429070320.db2.gz PGPGUZCNRPCAFH-YSIASYRMSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423345618 429070321 /nfs/dbraw/zinc/07/03/21/429070321.db2.gz PGPGUZCNRPCAFH-YSIASYRMSA-N 3 1 315.505 2.876 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)c(Br)c1 ZINC000423350547 429070858 /nfs/dbraw/zinc/07/08/58/429070858.db2.gz XTRBVXOHNOVBOH-GHMZBOCLSA-N 2 1 313.239 2.718 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2C[C@H](C)CC[NH2+]2)c1 ZINC000423370825 429073844 /nfs/dbraw/zinc/07/38/44/429073844.db2.gz UQIATCZPQCPPMU-CRAIPNDOSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)cc1 ZINC000423368743 429074331 /nfs/dbraw/zinc/07/43/31/429074331.db2.gz FLSDVUBLWLPPMX-QLFBSQMISA-N 2 1 303.450 2.699 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000423371738 429075147 /nfs/dbraw/zinc/07/51/47/429075147.db2.gz HVVLOYXJJABCSJ-SQWLQELKSA-N 2 1 306.450 2.673 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423386502 429078984 /nfs/dbraw/zinc/07/89/84/429078984.db2.gz LIFTYBPJLGRZGH-GDBMZVCRSA-N 2 1 303.450 2.772 20 0 DFADMP C[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423396209 429079194 /nfs/dbraw/zinc/07/91/94/429079194.db2.gz RNPYWHOFPNBSFO-LULLPPNCSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000423385830 429080220 /nfs/dbraw/zinc/08/02/20/429080220.db2.gz RBZWRISTZZAMFN-CQSZACIVSA-N 2 1 309.413 2.799 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000423385830 429080223 /nfs/dbraw/zinc/08/02/23/429080223.db2.gz RBZWRISTZZAMFN-CQSZACIVSA-N 2 1 309.413 2.799 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1Cl ZINC000423407622 429081200 /nfs/dbraw/zinc/08/12/00/429081200.db2.gz MUCVYHNQDYYNNJ-HERUPUMHSA-N 2 1 303.233 2.614 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CNCCN1C)CCCO2 ZINC000423485516 429097528 /nfs/dbraw/zinc/09/75/28/429097528.db2.gz AUPFZBAJROKYTN-SJLPKXTDSA-N 2 1 317.477 2.517 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695431 429145434 /nfs/dbraw/zinc/14/54/34/429145434.db2.gz WLDHCYBIEBANDS-LSDHHAIUSA-N 2 1 322.453 2.617 20 0 DFADMP Cc1ccc(CCC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000376608828 429147767 /nfs/dbraw/zinc/14/77/67/429147767.db2.gz GWIYXCALOXINSL-HXUWFJFHSA-N 2 1 315.505 2.639 20 0 DFADMP CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622278 429152350 /nfs/dbraw/zinc/15/23/50/429152350.db2.gz CPTKDWCQPBVJFG-MRXNPFEDSA-N 2 1 309.498 2.630 20 0 DFADMP CC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435622278 429152354 /nfs/dbraw/zinc/15/23/54/429152354.db2.gz CPTKDWCQPBVJFG-MRXNPFEDSA-N 2 1 309.498 2.630 20 0 DFADMP CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000435611925 429152798 /nfs/dbraw/zinc/15/27/98/429152798.db2.gz DDDGXNAPAAUNTB-KSZLIROESA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@@H]1CCC[NH2+]CC1 ZINC000435611925 429152801 /nfs/dbraw/zinc/15/28/01/429152801.db2.gz DDDGXNAPAAUNTB-KSZLIROESA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@H+](CC(=O)N[C@H](C)CCCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623026 429153066 /nfs/dbraw/zinc/15/30/66/429153066.db2.gz BFAMIUMREYZWJO-IAGOWNOFSA-N 2 1 311.514 2.781 20 0 DFADMP CC[N@@H+](CC(=O)N[C@H](C)CCCC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435623026 429153069 /nfs/dbraw/zinc/15/30/69/429153069.db2.gz BFAMIUMREYZWJO-IAGOWNOFSA-N 2 1 311.514 2.781 20 0 DFADMP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424141366 429098259 /nfs/dbraw/zinc/09/82/59/429098259.db2.gz CKNXYJYJXRAVNG-AEFFLSMTSA-N 2 1 321.509 2.759 20 0 DFADMP CCN(C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000435627809 429156278 /nfs/dbraw/zinc/15/62/78/429156278.db2.gz ORFDDLKVGSNGJG-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP CCN(C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000435627809 429156281 /nfs/dbraw/zinc/15/62/81/429156281.db2.gz ORFDDLKVGSNGJG-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424164217 429102637 /nfs/dbraw/zinc/10/26/37/429102637.db2.gz YQRPJQAAZAUNTM-DOTOQJQBSA-N 2 1 311.514 2.911 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424164219 429103274 /nfs/dbraw/zinc/10/32/74/429103274.db2.gz YQRPJQAAZAUNTM-RDJZCZTQSA-N 2 1 311.514 2.911 20 0 DFADMP COCCc1nc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000423509452 429103342 /nfs/dbraw/zinc/10/33/42/429103342.db2.gz MHZHPHCZUBSTTI-PVXIVEMSSA-N 2 1 311.495 2.618 20 0 DFADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423513404 429103369 /nfs/dbraw/zinc/10/33/69/429103369.db2.gz LIICZYQQXPVCKS-QAPCUYQASA-N 2 1 306.450 2.751 20 0 DFADMP CCC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccn1 ZINC000423511133 429103815 /nfs/dbraw/zinc/10/38/15/429103815.db2.gz NJGQLHZAVCPRRU-FAFZWHIHSA-N 2 1 316.493 2.729 20 0 DFADMP CCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000434685994 429104803 /nfs/dbraw/zinc/10/48/03/429104803.db2.gz SMRRMUQGFDIGTG-JZXOWHBKSA-N 2 1 317.477 2.798 20 0 DFADMP C1CN(C2CCC([NH2+]C3C4CC5CC(C4)CC3C5)CC2)CC[NH2+]1 ZINC000423520183 429105715 /nfs/dbraw/zinc/10/57/15/429105715.db2.gz QZLDLODTEDDFMQ-UHFFFAOYSA-N 2 1 317.521 2.617 20 0 DFADMP C[C@H]1CC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)O1 ZINC000434692333 429106566 /nfs/dbraw/zinc/10/65/66/429106566.db2.gz XDTGJCZYWVRBIV-WMLDXEAASA-N 2 1 303.450 2.966 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(-c2ccncc2)c1 ZINC000423522766 429108015 /nfs/dbraw/zinc/10/80/15/429108015.db2.gz RPQIYCZNFKKHCW-HNAYVOBHSA-N 2 1 311.429 2.778 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423529171 429110109 /nfs/dbraw/zinc/11/01/09/429110109.db2.gz OBXWMHRPKMDSPQ-ZWKOTPCHSA-N 2 1 308.441 2.880 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000423531477 429110310 /nfs/dbraw/zinc/11/03/10/429110310.db2.gz QLNGZBNJFXRKJV-HLAWJBBLSA-N 2 1 322.452 2.898 20 0 DFADMP Clc1ccc2c(c1Cl)CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423529250 429110686 /nfs/dbraw/zinc/11/06/86/429110686.db2.gz XMFMNFUEDUIIKA-QMTHXVAHSA-N 2 1 315.244 2.949 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@H](C[NH3+])c2ccc(F)cc2)C[C@@H]1C ZINC000424275367 429118105 /nfs/dbraw/zinc/11/81/05/429118105.db2.gz AUOJYSTYIKPAGT-ZVZYQTTQSA-N 2 1 307.457 2.673 20 0 DFADMP COC(=O)CC1CC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000424276701 429118208 /nfs/dbraw/zinc/11/82/08/429118208.db2.gz YYMRNPGZFVWCQX-UHFFFAOYSA-N 2 1 318.461 2.958 20 0 DFADMP COC(=O)c1cc2cc(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])ccc2o1 ZINC000424284122 429119058 /nfs/dbraw/zinc/11/90/58/429119058.db2.gz COQOWTXEVCEZRU-ZIAGYGMSSA-N 2 1 302.374 2.579 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CC(=O)NCCC1CCCCC1)CC[NH2+]CC2 ZINC000424284120 429120061 /nfs/dbraw/zinc/12/00/61/429120061.db2.gz CONCCYLTNHRGEW-INIZCTEOSA-N 2 1 321.509 2.537 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc(-n3cccn3)c1)CC[NH2+]CC2 ZINC000424298977 429122477 /nfs/dbraw/zinc/12/24/77/429122477.db2.gz VDBSTEIFIKTCAK-MRXNPFEDSA-N 2 1 310.445 2.836 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424308138 429125098 /nfs/dbraw/zinc/12/50/98/429125098.db2.gz ZFVUDNOVGZIJID-AEFFLSMTSA-N 2 1 316.424 2.538 20 0 DFADMP CN1CC[N@@H+](C[C@@H](C[NH3+])c2ccc(F)cc2)Cc2ccccc21 ZINC000424307462 429125427 /nfs/dbraw/zinc/12/54/27/429125427.db2.gz XPLUWLIMLCEWKT-QGZVFWFLSA-N 2 1 313.420 2.820 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]2C1 ZINC000424373265 429130883 /nfs/dbraw/zinc/13/08/83/429130883.db2.gz XLIMWKQKEHSFHD-IPMKNSEASA-N 2 1 301.478 2.566 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cn(C)nc1C(C)(C)C)CC[NH2+]CC2 ZINC000424377042 429131702 /nfs/dbraw/zinc/13/17/02/429131702.db2.gz LPHQNHXKBSCKNS-CQSZACIVSA-N 2 1 304.482 2.682 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424373490 429131782 /nfs/dbraw/zinc/13/17/82/429131782.db2.gz HDFKNXSJKZBLDV-CQSZACIVSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccccn2)cc1 ZINC000435374241 429132684 /nfs/dbraw/zinc/13/26/84/429132684.db2.gz XBYPAMMJTSUMQY-DOTOQJQBSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cccc3c1OCCCO3)CC[NH2+]CC2 ZINC000424385088 429132855 /nfs/dbraw/zinc/13/28/55/429132855.db2.gz VVOXKNDKGOETEA-HNNXBMFYSA-N 2 1 316.445 2.812 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000435373222 429133213 /nfs/dbraw/zinc/13/32/13/429133213.db2.gz CYMUDYBCVILANL-RHSMWYFYSA-N 2 1 311.429 2.926 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH2+]2)C1 ZINC000494637788 429133467 /nfs/dbraw/zinc/13/34/67/429133467.db2.gz NCSRGQGNKGXHSJ-SQNIBIBYSA-N 2 1 321.509 2.632 20 0 DFADMP COc1ccncc1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000376544821 429133588 /nfs/dbraw/zinc/13/35/88/429133588.db2.gz FHHUUJAPMMNGPD-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP O=C(CC[C@H]1CCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000494640576 429134631 /nfs/dbraw/zinc/13/46/31/429134631.db2.gz BIJCNTOPVILJSF-GOSISDBHSA-N 2 1 321.509 2.633 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@H]12 ZINC000435387561 429135371 /nfs/dbraw/zinc/13/53/71/429135371.db2.gz APZTYBUKGSIDDK-YTQUADARSA-N 2 1 323.440 2.830 20 0 DFADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435388659 429135813 /nfs/dbraw/zinc/13/58/13/429135813.db2.gz IIGUGSYINRQNCU-CYBMUJFWSA-N 2 1 320.387 2.548 20 0 DFADMP C[C@H]1CC[C@H](C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)O1 ZINC000376559949 429136969 /nfs/dbraw/zinc/13/69/69/429136969.db2.gz AZONGGDMMSVCAN-MAUKXSAKSA-N 2 1 303.450 2.545 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]12 ZINC000435387560 429136994 /nfs/dbraw/zinc/13/69/94/429136994.db2.gz APZTYBUKGSIDDK-QXAKKESOSA-N 2 1 323.440 2.830 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000363918572 429138938 /nfs/dbraw/zinc/13/89/38/429138938.db2.gz CZJIQDQEQHCVKD-XOKHGSTOSA-N 2 1 319.424 2.759 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435393155 429139615 /nfs/dbraw/zinc/13/96/15/429139615.db2.gz ZFZPFOABVPMMOW-MRXNPFEDSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435393155 429139617 /nfs/dbraw/zinc/13/96/17/429139617.db2.gz ZFZPFOABVPMMOW-MRXNPFEDSA-N 2 1 311.429 2.702 20 0 DFADMP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000494658921 429140488 /nfs/dbraw/zinc/14/04/88/429140488.db2.gz JXPJXGUJKFSMEW-XGUBFFRZSA-N 2 1 313.486 2.751 20 0 DFADMP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000494658921 429140491 /nfs/dbraw/zinc/14/04/91/429140491.db2.gz JXPJXGUJKFSMEW-XGUBFFRZSA-N 2 1 313.486 2.751 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)[C@H](C)C1 ZINC000424442227 429141713 /nfs/dbraw/zinc/14/17/13/429141713.db2.gz XPHZLGKTRLSNNU-PBHICJAKSA-N 2 1 318.465 2.648 20 0 DFADMP COc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435448187 429142062 /nfs/dbraw/zinc/14/20/62/429142062.db2.gz TZHNSVDSIACZCT-CYBMUJFWSA-N 2 1 312.841 2.931 20 0 DFADMP C[NH+](C)CC1(C(=O)NCC[N@@H+](C)C2CCCCC2)CCCCC1 ZINC000494866448 429160466 /nfs/dbraw/zinc/16/04/66/429160466.db2.gz YCFCSQSCNUMPAH-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP C[NH2+]CCC[NH+]1CCC([C@H]2C(=O)Nc3cc(Cl)ccc32)CC1 ZINC000435876653 429169622 /nfs/dbraw/zinc/16/96/22/429169622.db2.gz JXZLNOHNNLTSII-MRXNPFEDSA-N 2 1 321.852 2.697 20 0 DFADMP OCCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310010750 275045645 /nfs/dbraw/zinc/04/56/45/275045645.db2.gz KFEJAVSKPNNPAY-RBUKOAKNSA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310010750 275045647 /nfs/dbraw/zinc/04/56/47/275045647.db2.gz KFEJAVSKPNNPAY-RBUKOAKNSA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310010750 275045649 /nfs/dbraw/zinc/04/56/49/275045649.db2.gz KFEJAVSKPNNPAY-RBUKOAKNSA-N 2 1 302.462 2.603 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000495452372 429210116 /nfs/dbraw/zinc/21/01/16/429210116.db2.gz CIBWDCKAEOXIHI-HNNXBMFYSA-N 2 1 322.453 2.571 20 0 DFADMP CC[C@@H](F)C[N@@H+](C)CCC1CC[NH+](C2CCN(C)CC2)CC1 ZINC000440792138 429228406 /nfs/dbraw/zinc/22/84/06/429228406.db2.gz QQDAPLLLSVDBEQ-QGZVFWFLSA-N 2 1 313.505 2.863 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)[C@H](C(C)C)C1 ZINC000489323259 429228870 /nfs/dbraw/zinc/22/88/70/429228870.db2.gz NQQXSFAIBQKWCY-KRWDZBQOSA-N 2 1 311.514 2.687 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495392301 429205615 /nfs/dbraw/zinc/20/56/15/429205615.db2.gz ATKXASJEGNNIRF-UHFFFAOYSA-N 2 1 313.486 2.706 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000495392301 429205620 /nfs/dbraw/zinc/20/56/20/429205620.db2.gz ATKXASJEGNNIRF-UHFFFAOYSA-N 2 1 313.486 2.706 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388602 429283411 /nfs/dbraw/zinc/28/34/11/429283411.db2.gz WHNGYDTYERZABQ-DGCLKSJQSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388602 429283415 /nfs/dbraw/zinc/28/34/15/429283415.db2.gz WHNGYDTYERZABQ-DGCLKSJQSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388602 429283418 /nfs/dbraw/zinc/28/34/18/429283418.db2.gz WHNGYDTYERZABQ-DGCLKSJQSA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc2c(c1)OC(F)(F)O2 ZINC000425388602 429283422 /nfs/dbraw/zinc/28/34/22/429283422.db2.gz WHNGYDTYERZABQ-DGCLKSJQSA-N 2 1 312.360 2.780 20 0 DFADMP C[N@@H+](C[C@@H]1CCCOC1)C1CCN(CCC(F)(F)F)CC1 ZINC000445261004 429285265 /nfs/dbraw/zinc/28/52/65/429285265.db2.gz GLKHKKQYOUFGPF-ZDUSSCGKSA-N 2 1 308.388 2.762 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)cn1 ZINC000365250639 429286007 /nfs/dbraw/zinc/28/60/07/429286007.db2.gz AJOYNBPPRDPWFN-UHFFFAOYSA-N 2 1 316.493 2.986 20 0 DFADMP Cc1oncc1C[N@H+](C)C[C@@H]1CCN(C)[C@H]1c1cccnc1 ZINC000364642057 429239864 /nfs/dbraw/zinc/23/98/64/429239864.db2.gz ZKMYVZJJIVFRNU-RDJZCZTQSA-N 2 1 300.406 2.503 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000442926546 429241343 /nfs/dbraw/zinc/24/13/43/429241343.db2.gz YXXOMRTUPLTNJR-AWEZNQCLSA-N 2 1 314.433 2.646 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000364828091 429265240 /nfs/dbraw/zinc/26/52/40/429265240.db2.gz CWLNNAKVCOHTPT-GOEBONIOSA-N 2 1 302.466 2.663 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813742 429271812 /nfs/dbraw/zinc/27/18/12/429271812.db2.gz JECHQUFPCPYJDM-ZIAGYGMSSA-N 2 1 313.486 2.562 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813742 429271816 /nfs/dbraw/zinc/27/18/16/429271816.db2.gz JECHQUFPCPYJDM-ZIAGYGMSSA-N 2 1 313.486 2.562 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425544696 429319757 /nfs/dbraw/zinc/31/97/57/429319757.db2.gz CFIJKPZWSBZUDQ-QGZVFWFLSA-N 2 1 303.450 2.863 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC2(CCC2)[C@H]1C1CCOCC1 ZINC000425544696 429319760 /nfs/dbraw/zinc/31/97/60/429319760.db2.gz CFIJKPZWSBZUDQ-QGZVFWFLSA-N 2 1 303.450 2.863 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1cccc2c(OC)cccc12 ZINC000449080483 429326648 /nfs/dbraw/zinc/32/66/48/429326648.db2.gz WOOAUSANOUYRCZ-UHFFFAOYSA-N 2 1 316.445 2.906 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cnn(C)c2)CC1 ZINC000449093551 429328483 /nfs/dbraw/zinc/32/84/83/429328483.db2.gz OWLWWQPKGMIQPJ-MRXNPFEDSA-N 2 1 312.461 2.605 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CSC[C@@H]3C)CC2)oc1C ZINC000449120308 429336591 /nfs/dbraw/zinc/33/65/91/429336591.db2.gz CMJMNSVGDFYRKW-BLLLJJGKSA-N 2 1 323.506 2.845 20 0 DFADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000456684291 429337434 /nfs/dbraw/zinc/33/74/34/429337434.db2.gz NJZPMBQGXHGAQJ-GOSISDBHSA-N 2 1 319.493 2.527 20 0 DFADMP Cc1cccc(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000449164464 429347894 /nfs/dbraw/zinc/34/78/94/429347894.db2.gz PYCNBPKQAKBNAW-OAQYLSRUSA-N 2 1 324.468 2.764 20 0 DFADMP Cc1cccc(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000449164464 429347896 /nfs/dbraw/zinc/34/78/96/429347896.db2.gz PYCNBPKQAKBNAW-OAQYLSRUSA-N 2 1 324.468 2.764 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365547521 429337887 /nfs/dbraw/zinc/33/78/87/429337887.db2.gz CRKLBLVPCWKFFH-QRQLOZEOSA-N 2 1 324.472 2.556 20 0 DFADMP FC(F)COc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cc1 ZINC000365543439 429337969 /nfs/dbraw/zinc/33/79/69/429337969.db2.gz FTBDQEDJGLXOCF-AWEZNQCLSA-N 2 1 321.371 2.879 20 0 DFADMP CCCCC[C@@H](C)CC(=O)N[C@@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000365586096 429345111 /nfs/dbraw/zinc/34/51/11/429345111.db2.gz SXXQOEUMUZEYAE-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCCCC[C@@H](C)CC(=O)N[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000365586096 429345116 /nfs/dbraw/zinc/34/51/16/429345116.db2.gz SXXQOEUMUZEYAE-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](CC[C@H](C(=O)OC)c2ccccc2)C1 ZINC000425424897 429293713 /nfs/dbraw/zinc/29/37/13/429293713.db2.gz QBGHVBPEGYTODA-AEFFLSMTSA-N 2 1 318.461 2.607 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC[C@H](C(=O)OC)c2ccccc2)C1 ZINC000425424897 429293715 /nfs/dbraw/zinc/29/37/15/429293715.db2.gz QBGHVBPEGYTODA-AEFFLSMTSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CC[C@H](C(=O)OC)c2ccccc2)C1 ZINC000425424897 429293717 /nfs/dbraw/zinc/29/37/17/429293717.db2.gz QBGHVBPEGYTODA-AEFFLSMTSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC[C@H](C(=O)OC)c2ccccc2)C1 ZINC000425424897 429293720 /nfs/dbraw/zinc/29/37/20/429293720.db2.gz QBGHVBPEGYTODA-AEFFLSMTSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@H](N[C@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425431048 429295104 /nfs/dbraw/zinc/29/51/04/429295104.db2.gz GYVOCYXGHPLTEX-ZOBUZTSGSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425431048 429295108 /nfs/dbraw/zinc/29/51/08/429295108.db2.gz GYVOCYXGHPLTEX-ZOBUZTSGSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425431048 429295111 /nfs/dbraw/zinc/29/51/11/429295111.db2.gz GYVOCYXGHPLTEX-ZOBUZTSGSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)CCCO1 ZINC000365315314 429299180 /nfs/dbraw/zinc/29/91/80/429299180.db2.gz GJSIJJVDSBPDJN-AKHDSKFASA-N 2 1 324.509 2.672 20 0 DFADMP CC(C)[C@@H]1C[N@@H+](C)CCN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000425484637 429307381 /nfs/dbraw/zinc/30/73/81/429307381.db2.gz SMQBSEQEOLOIGF-SFHVURJKSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000425484637 429307385 /nfs/dbraw/zinc/30/73/85/429307385.db2.gz SMQBSEQEOLOIGF-SFHVURJKSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)[C@@H]1C[NH+](C)CCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000425484637 429307391 /nfs/dbraw/zinc/30/73/91/429307391.db2.gz SMQBSEQEOLOIGF-SFHVURJKSA-N 2 1 307.457 2.530 20 0 DFADMP COC(=O)[C@@H](CC[NH2+]C(C)(C)C[NH+]1CCCC1)c1ccccc1 ZINC000425493793 429308565 /nfs/dbraw/zinc/30/85/65/429308565.db2.gz PIYCEFORJGGIHU-KRWDZBQOSA-N 2 1 318.461 2.797 20 0 DFADMP CC(C)C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000236640449 275597118 /nfs/dbraw/zinc/59/71/18/275597118.db2.gz TZVBIZYQQZLVLT-LJQANCHMSA-N 2 1 304.478 2.690 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2=CCOCC2)CC[N@H+]1Cc1ccccc1 ZINC000449402328 429407231 /nfs/dbraw/zinc/40/72/31/429407231.db2.gz LEIREDLBDSCWJF-APWZRJJASA-N 2 1 300.446 2.976 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000517962707 429407465 /nfs/dbraw/zinc/40/74/65/429407465.db2.gz ZWNRUDADWCAAOD-UHFFFAOYSA-N 2 1 304.478 2.921 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)CC[N@@H+]1C ZINC000449173933 429348421 /nfs/dbraw/zinc/34/84/21/429348421.db2.gz ONOPJAQRHFDENQ-GDBMZVCRSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c(c2)OCCCCO3)CC[N@H+]1C ZINC000449173933 429348423 /nfs/dbraw/zinc/34/84/23/429348423.db2.gz ONOPJAQRHFDENQ-GDBMZVCRSA-N 2 1 304.434 2.810 20 0 DFADMP CSC1(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)CCC1 ZINC000365614211 429350166 /nfs/dbraw/zinc/35/01/66/429350166.db2.gz RPECJJSGYDIHOS-UHFFFAOYSA-N 2 1 319.518 2.964 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3c[nH]c4nccnc34)C2)c1 ZINC000365616980 429353143 /nfs/dbraw/zinc/35/31/43/429353143.db2.gz MFYKKEOFFUFNDF-AWEZNQCLSA-N 2 1 322.416 2.547 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)c1 ZINC000365616980 429353148 /nfs/dbraw/zinc/35/31/48/429353148.db2.gz MFYKKEOFFUFNDF-AWEZNQCLSA-N 2 1 322.416 2.547 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000425928383 429353155 /nfs/dbraw/zinc/35/31/55/429353155.db2.gz VHXJBYPSSQKAJB-OHSMVPPVSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000425928383 429353160 /nfs/dbraw/zinc/35/31/60/429353160.db2.gz VHXJBYPSSQKAJB-OHSMVPPVSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000425928383 429353164 /nfs/dbraw/zinc/35/31/64/429353164.db2.gz VHXJBYPSSQKAJB-OHSMVPPVSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000425951321 429353388 /nfs/dbraw/zinc/35/33/88/429353388.db2.gz MMDBPBMAOJCWFS-LSDHHAIUSA-N 2 1 303.450 2.662 20 0 DFADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000426218312 429374748 /nfs/dbraw/zinc/37/47/48/429374748.db2.gz WRSPUWDKGQDEFJ-SZMVWBNQSA-N 2 1 317.477 2.524 20 0 DFADMP C[C@@H](CNCC(C)(C)C[N@@H+](C)Cc1ccccc1)C[NH+](C)C ZINC000491588793 429377484 /nfs/dbraw/zinc/37/74/84/429377484.db2.gz LLXPYWZJDPEXLX-KRWDZBQOSA-N 2 1 305.510 2.932 20 0 DFADMP C[C@@H](C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1)C[NH+](C)C ZINC000491588793 429377487 /nfs/dbraw/zinc/37/74/87/429377487.db2.gz LLXPYWZJDPEXLX-KRWDZBQOSA-N 3 1 305.510 2.932 20 0 DFADMP C[C@@H](C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C[NH+](C)C ZINC000491588793 429377491 /nfs/dbraw/zinc/37/74/91/429377491.db2.gz LLXPYWZJDPEXLX-KRWDZBQOSA-N 3 1 305.510 2.932 20 0 DFADMP CSCC1CCC([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)CC1 ZINC000449286952 429377787 /nfs/dbraw/zinc/37/77/87/429377787.db2.gz VUEUGQIIVIHCDX-KLAILNCOSA-N 2 1 314.539 2.999 20 0 DFADMP CSCC1CCC([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CC1 ZINC000449286952 429377790 /nfs/dbraw/zinc/37/77/90/429377790.db2.gz VUEUGQIIVIHCDX-KLAILNCOSA-N 2 1 314.539 2.999 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](Cc2csc(C)c2)CC1 ZINC000449297852 429381052 /nfs/dbraw/zinc/38/10/52/429381052.db2.gz HZFGRWQIFUALSD-UHFFFAOYSA-N 2 1 303.431 2.782 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]CC1 ZINC000427290767 429441963 /nfs/dbraw/zinc/44/19/63/429441963.db2.gz WWDMDBMNNXHKGO-SJORKVTESA-N 2 1 309.498 2.537 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427297196 429444556 /nfs/dbraw/zinc/44/45/56/429444556.db2.gz YLVMAHUOWJYXSL-IRXDYDNUSA-N 2 1 309.498 2.537 20 0 DFADMP [NH3+]C1(C(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000366350068 429448843 /nfs/dbraw/zinc/44/88/43/429448843.db2.gz YYHPAJDUVYVBIJ-HNNXBMFYSA-N 2 1 307.482 2.561 20 0 DFADMP Cc1nccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000366455011 429457077 /nfs/dbraw/zinc/45/70/77/429457077.db2.gz DUWVGSNHXWDQSJ-UHFFFAOYSA-N 2 1 311.433 2.528 20 0 DFADMP CCC1(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000449602450 429459746 /nfs/dbraw/zinc/45/97/46/429459746.db2.gz DHTRLDGDIDSUMQ-AEFFLSMTSA-N 2 1 302.462 2.913 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000426786991 429414909 /nfs/dbraw/zinc/41/49/09/429414909.db2.gz ZWSCMBDMXAZXEM-DLBZAZTESA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCCC[N@H+]2CCCn2ccnc2)C1 ZINC000427052662 429429748 /nfs/dbraw/zinc/42/97/48/429429748.db2.gz GZTNHWQTFXVHEO-XDNAFOTISA-N 2 1 305.466 2.925 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC000427104762 429433120 /nfs/dbraw/zinc/43/31/20/429433120.db2.gz QSMDZHFLHBYOSK-AZUAARDMSA-N 2 1 323.440 2.844 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC000427104762 429433126 /nfs/dbraw/zinc/43/31/26/429433126.db2.gz QSMDZHFLHBYOSK-AZUAARDMSA-N 2 1 323.440 2.844 20 0 DFADMP COc1ccc(Cl)cc1[C@H](C)NC[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000366219622 429436738 /nfs/dbraw/zinc/43/67/38/429436738.db2.gz SBBVOOGUNXZWEG-CFVMTHIKSA-N 2 1 324.852 2.862 20 0 DFADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000366219622 429436743 /nfs/dbraw/zinc/43/67/43/429436743.db2.gz SBBVOOGUNXZWEG-CFVMTHIKSA-N 2 1 324.852 2.862 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492130967 429472635 /nfs/dbraw/zinc/47/26/35/429472635.db2.gz IAMWKDDWTTXEPC-KFWWJZLASA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492130967 429472641 /nfs/dbraw/zinc/47/26/41/429472641.db2.gz IAMWKDDWTTXEPC-KFWWJZLASA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492130967 429472645 /nfs/dbraw/zinc/47/26/45/429472645.db2.gz IAMWKDDWTTXEPC-KFWWJZLASA-N 2 1 313.486 2.562 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427898308 429477372 /nfs/dbraw/zinc/47/73/72/429477372.db2.gz SZDBJCQAXHSAQH-BHIYHBOVSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427898308 429477373 /nfs/dbraw/zinc/47/73/73/429477373.db2.gz SZDBJCQAXHSAQH-BHIYHBOVSA-N 2 1 324.472 2.698 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000449686573 429477870 /nfs/dbraw/zinc/47/78/70/429477870.db2.gz XHUYRUCKUSCQRX-HOTGVXAUSA-N 2 1 323.868 2.591 20 0 DFADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1cccc2ccccc21 ZINC000428037933 429487197 /nfs/dbraw/zinc/48/71/97/429487197.db2.gz VSVIIEQVKXORBK-WMZOPIPTSA-N 2 1 323.440 2.852 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1)Nc1cccc2ccccc21 ZINC000428037933 429487200 /nfs/dbraw/zinc/48/72/00/429487200.db2.gz VSVIIEQVKXORBK-WMZOPIPTSA-N 2 1 323.440 2.852 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Cc1ccccc1 ZINC000519803625 429490051 /nfs/dbraw/zinc/49/00/51/429490051.db2.gz SQEKWTWFHNPXKJ-OTWHNJEPSA-N 2 1 304.478 2.690 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000449735021 429491002 /nfs/dbraw/zinc/49/10/02/429491002.db2.gz FPXBIJQOPIUBCJ-CENDIDJXSA-N 2 1 314.473 2.648 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CCC1 ZINC000449738993 429493258 /nfs/dbraw/zinc/49/32/58/429493258.db2.gz HSLPLJHOUAHXJJ-IYWMVGAKSA-N 2 1 314.473 2.648 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC(=O)OC(C)(C)C)C2)c1 ZINC000366686965 429493591 /nfs/dbraw/zinc/49/35/91/429493591.db2.gz QFCKDVDXPLXWSI-HNNXBMFYSA-N 2 1 319.449 2.856 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC(=O)OC(C)(C)C)C2)c1 ZINC000366686965 429493595 /nfs/dbraw/zinc/49/35/95/429493595.db2.gz QFCKDVDXPLXWSI-HNNXBMFYSA-N 2 1 319.449 2.856 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1F ZINC000366744156 429505499 /nfs/dbraw/zinc/50/54/99/429505499.db2.gz HOOODADJKQXOJY-CQSZACIVSA-N 2 1 303.381 2.773 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)CCn2cc[nH+]c2C(C)C)c1 ZINC000428319346 429510071 /nfs/dbraw/zinc/51/00/71/429510071.db2.gz IVAHTJPQMRRXOR-UHFFFAOYSA-N 2 1 300.406 2.755 20 0 DFADMP CN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000520400783 429512944 /nfs/dbraw/zinc/51/29/44/429512944.db2.gz RRXVKOZOGYNLDF-IEBWSBKVSA-N 2 1 301.478 2.929 20 0 DFADMP CN(CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000520400783 429512951 /nfs/dbraw/zinc/51/29/51/429512951.db2.gz RRXVKOZOGYNLDF-IEBWSBKVSA-N 2 1 301.478 2.929 20 0 DFADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449842892 429523437 /nfs/dbraw/zinc/52/34/37/429523437.db2.gz FRBGSZUEFQVOJC-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H](CCO)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000521639940 429560747 /nfs/dbraw/zinc/56/07/47/429560747.db2.gz QLCWPVBRKJFMMD-MRXNPFEDSA-N 2 1 301.434 2.626 20 0 DFADMP C[C@H](CCO)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000521639940 429560749 /nfs/dbraw/zinc/56/07/49/429560749.db2.gz QLCWPVBRKJFMMD-MRXNPFEDSA-N 2 1 301.434 2.626 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367032536 429561593 /nfs/dbraw/zinc/56/15/93/429561593.db2.gz ZWYZTBIUHDXZQA-AZUAARDMSA-N 2 1 315.505 2.761 20 0 DFADMP C[C@@H]1CN(C(=O)CC[NH+](C)C2CCCCC2)CC[N@H+](C2CC2)C1 ZINC000521972465 429572671 /nfs/dbraw/zinc/57/26/71/429572671.db2.gz ZCQRYFPBJAEEHZ-INIZCTEOSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC[NH+](C2CC2)C1 ZINC000521972465 429572673 /nfs/dbraw/zinc/57/26/73/429572673.db2.gz ZCQRYFPBJAEEHZ-INIZCTEOSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+](C2CC2)C1 ZINC000521972465 429572675 /nfs/dbraw/zinc/57/26/75/429572675.db2.gz ZCQRYFPBJAEEHZ-INIZCTEOSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000522221628 429584867 /nfs/dbraw/zinc/58/48/67/429584867.db2.gz AUCNBSLBQCPUML-UHFFFAOYSA-N 2 1 306.479 2.948 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn3ccsc3n2)CC1 ZINC000522221628 429584870 /nfs/dbraw/zinc/58/48/70/429584870.db2.gz AUCNBSLBQCPUML-UHFFFAOYSA-N 2 1 306.479 2.948 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366885245 429533328 /nfs/dbraw/zinc/53/33/28/429533328.db2.gz PPDHOSWGICBHCX-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC1(F)CC1)CC2 ZINC000521234080 429545229 /nfs/dbraw/zinc/54/52/29/429545229.db2.gz GOUIJDNGDAKZQV-CYBMUJFWSA-N 2 1 309.454 2.932 20 0 DFADMP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CC1(F)CC1)CC2 ZINC000521234080 429545231 /nfs/dbraw/zinc/54/52/31/429545231.db2.gz GOUIJDNGDAKZQV-CYBMUJFWSA-N 2 1 309.454 2.932 20 0 DFADMP C[C@@H]([NH2+]C1CC1)C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000521252595 429545694 /nfs/dbraw/zinc/54/56/94/429545694.db2.gz KSKOELNWBDMTDK-HZPDHXFCSA-N 2 1 321.509 2.630 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000521266323 429545893 /nfs/dbraw/zinc/54/58/93/429545893.db2.gz BJFVMFCJENZEOP-IBGZPJMESA-N 2 1 312.461 2.559 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000521266323 429545897 /nfs/dbraw/zinc/54/58/97/429545897.db2.gz BJFVMFCJENZEOP-IBGZPJMESA-N 2 1 312.461 2.559 20 0 DFADMP C[N@@H+](CCN1CC[C@H](C[NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000450438277 429626676 /nfs/dbraw/zinc/62/66/76/429626676.db2.gz LTAGQIHZKXABAQ-HXUWFJFHSA-N 2 1 315.505 2.926 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000450466241 429633343 /nfs/dbraw/zinc/63/33/43/429633343.db2.gz IJLUKKSEUOCIBF-CAMMJAKZSA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000450466241 429633346 /nfs/dbraw/zinc/63/33/46/429633346.db2.gz IJLUKKSEUOCIBF-CAMMJAKZSA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@@H]1C ZINC000450466241 429633349 /nfs/dbraw/zinc/63/33/49/429633349.db2.gz IJLUKKSEUOCIBF-CAMMJAKZSA-N 2 1 304.478 2.956 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000450466244 429633445 /nfs/dbraw/zinc/63/34/45/429633445.db2.gz IJLUKKSEUOCIBF-NEPXVJNWSA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000450466244 429633449 /nfs/dbraw/zinc/63/34/49/429633449.db2.gz IJLUKKSEUOCIBF-NEPXVJNWSA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)C[C@H]1C ZINC000450466244 429633451 /nfs/dbraw/zinc/63/34/51/429633451.db2.gz IJLUKKSEUOCIBF-NEPXVJNWSA-N 2 1 304.478 2.956 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000450465275 429633469 /nfs/dbraw/zinc/63/34/69/429633469.db2.gz DUYGNCQERDBMGW-PKOBYXMFSA-N 2 1 303.494 2.923 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)CC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000450465275 429633471 /nfs/dbraw/zinc/63/34/71/429633471.db2.gz DUYGNCQERDBMGW-PKOBYXMFSA-N 2 1 303.494 2.923 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)CC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000450465275 429633474 /nfs/dbraw/zinc/63/34/74/429633474.db2.gz DUYGNCQERDBMGW-PKOBYXMFSA-N 2 1 303.494 2.923 20 0 DFADMP CC(C)c1cc(N2CC[N@@H+](C3CC3)C[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000450546581 429645470 /nfs/dbraw/zinc/64/54/70/429645470.db2.gz JFTKLEWOPUQKPN-CQSZACIVSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CC[N@H+](C3CC3)C[C@@H](C)C2)nc(N(C)C)[nH+]1 ZINC000450546581 429645475 /nfs/dbraw/zinc/64/54/75/429645475.db2.gz JFTKLEWOPUQKPN-CQSZACIVSA-N 2 1 317.481 2.587 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557928 429648411 /nfs/dbraw/zinc/64/84/11/429648411.db2.gz DHUNHPYLHMIWRR-HKUYNNGSSA-N 2 1 303.494 2.781 20 0 DFADMP CC[NH+]1CC[C@H](N(C)CC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557928 429648417 /nfs/dbraw/zinc/64/84/17/429648417.db2.gz DHUNHPYLHMIWRR-HKUYNNGSSA-N 2 1 303.494 2.781 20 0 DFADMP CC[NH+]1CC[C@H](N(C)CC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000450557928 429648420 /nfs/dbraw/zinc/64/84/20/429648420.db2.gz DHUNHPYLHMIWRR-HKUYNNGSSA-N 2 1 303.494 2.781 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000450557932 429648456 /nfs/dbraw/zinc/64/84/56/429648456.db2.gz DHUNHPYLHMIWRR-IEBWSBKVSA-N 2 1 303.494 2.781 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)CC[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000450557932 429648459 /nfs/dbraw/zinc/64/84/59/429648459.db2.gz DHUNHPYLHMIWRR-IEBWSBKVSA-N 2 1 303.494 2.781 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)CC[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000450557932 429648464 /nfs/dbraw/zinc/64/84/64/429648464.db2.gz DHUNHPYLHMIWRR-IEBWSBKVSA-N 2 1 303.494 2.781 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000523115933 429601551 /nfs/dbraw/zinc/60/15/51/429601551.db2.gz GAPDUMYSBYNUCQ-ULQDDVLXSA-N 2 1 323.525 2.827 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000353954189 276009286 /nfs/dbraw/zinc/00/92/86/276009286.db2.gz JGQCDHNAYPULKV-YLFCFFPRSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@@H](C)C1 ZINC000353954189 276009287 /nfs/dbraw/zinc/00/92/87/276009287.db2.gz JGQCDHNAYPULKV-YLFCFFPRSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccn1 ZINC000358287044 276044531 /nfs/dbraw/zinc/04/45/31/276044531.db2.gz IGSJEJLEJKFGTE-GBESFXJTSA-N 2 1 317.477 2.890 20 0 DFADMP Cc1ccc2c(C)cc(NC[C@@H]3CCC[N@H+]3CCCO)nc2c1 ZINC000450588490 429654244 /nfs/dbraw/zinc/65/42/44/429654244.db2.gz BLCKWNWCSGPUIE-INIZCTEOSA-N 2 1 313.445 3.110 20 0 DFADMP C[C@H]1C[N@@H+](C[C@H]2CCC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000450653751 429670118 /nfs/dbraw/zinc/67/01/18/429670118.db2.gz PTRHYHWTUJPNEM-GJZGRUSLSA-N 2 1 315.452 2.522 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000525752071 429670780 /nfs/dbraw/zinc/67/07/80/429670780.db2.gz NYGIYERXXZDHNW-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnns1 ZINC000450651117 429670897 /nfs/dbraw/zinc/67/08/97/429670897.db2.gz KXWLRJSNKPRHNY-UHFFFAOYSA-N 2 1 317.462 2.672 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1cnns1 ZINC000450651117 429670902 /nfs/dbraw/zinc/67/09/02/429670902.db2.gz KXWLRJSNKPRHNY-UHFFFAOYSA-N 2 1 317.462 2.672 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCC(F)(F)C2)CCN1C1CC[NH+](C)CC1 ZINC000450653752 429671344 /nfs/dbraw/zinc/67/13/44/429671344.db2.gz PTRHYHWTUJPNEM-HUUCEWRRSA-N 2 1 315.452 2.522 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000360417049 276110317 /nfs/dbraw/zinc/11/03/17/276110317.db2.gz PSWPVQLRLHCTIF-VQIMIIECSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(C)C[C@H]2C)c1 ZINC000360417049 276110318 /nfs/dbraw/zinc/11/03/18/276110318.db2.gz PSWPVQLRLHCTIF-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC1(C)C[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc21 ZINC000178519352 276148600 /nfs/dbraw/zinc/14/86/00/276148600.db2.gz QAXBHYOTAOAHFG-QAPCUYQASA-N 2 1 302.462 2.845 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C ZINC000299581182 276183820 /nfs/dbraw/zinc/18/38/20/276183820.db2.gz BAVHNNVQXYJYNT-HNNXBMFYSA-N 2 1 323.506 2.545 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000367611163 429684008 /nfs/dbraw/zinc/68/40/08/429684008.db2.gz AMJWTZDAZSSYOS-OJAHFUOMSA-N 2 1 313.489 2.975 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000093638994 276225270 /nfs/dbraw/zinc/22/52/70/276225270.db2.gz UKMLMIJNJQPCIH-AEFFLSMTSA-N 2 1 316.493 2.844 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000093638994 276225271 /nfs/dbraw/zinc/22/52/71/276225271.db2.gz UKMLMIJNJQPCIH-AEFFLSMTSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000093638994 276225272 /nfs/dbraw/zinc/22/52/72/276225272.db2.gz UKMLMIJNJQPCIH-AEFFLSMTSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000093638994 276225274 /nfs/dbraw/zinc/22/52/74/276225274.db2.gz UKMLMIJNJQPCIH-AEFFLSMTSA-N 2 1 316.493 2.844 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(Cc2ccccc2)[C@@H](C)O)[C@H](C)C1 ZINC000188908593 276229385 /nfs/dbraw/zinc/22/93/85/276229385.db2.gz YORGDJFQHGSRJE-IZBJGVDFSA-N 2 1 318.505 2.936 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2ccc(NC(N)=O)cc2)[C@@H](C)C1 ZINC000247960608 276230258 /nfs/dbraw/zinc/23/02/58/276230258.db2.gz GELXSTLMFXDLPQ-XEZPLFJOSA-N 2 1 304.438 2.558 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000430553743 429689768 /nfs/dbraw/zinc/68/97/68/429689768.db2.gz LUZIGGPVGPLLEW-MZBWOGCUSA-N 2 1 311.514 2.621 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C ZINC000430553743 429689774 /nfs/dbraw/zinc/68/97/74/429689774.db2.gz LUZIGGPVGPLLEW-MZBWOGCUSA-N 2 1 311.514 2.621 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000158046928 276281657 /nfs/dbraw/zinc/28/16/57/276281657.db2.gz NZKQYCIQSSWZJA-RCCFBDPRSA-N 2 1 323.525 2.830 20 0 DFADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430598454 429699496 /nfs/dbraw/zinc/69/94/96/429699496.db2.gz OHAWDOCKRSSKQU-FUHWJXTLSA-N 2 1 319.493 2.647 20 0 DFADMP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430598454 429699501 /nfs/dbraw/zinc/69/95/01/429699501.db2.gz OHAWDOCKRSSKQU-FUHWJXTLSA-N 2 1 319.493 2.647 20 0 DFADMP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367659050 429693087 /nfs/dbraw/zinc/69/30/87/429693087.db2.gz RZTQKIGJZCKPBQ-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367659050 429693092 /nfs/dbraw/zinc/69/30/92/429693092.db2.gz RZTQKIGJZCKPBQ-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000430567939 429693409 /nfs/dbraw/zinc/69/34/09/429693409.db2.gz BORXFNVZSFWEOK-CQSZACIVSA-N 2 1 302.340 2.845 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@@H]1CCn2ccnc2C1 ZINC000367659077 429693962 /nfs/dbraw/zinc/69/39/62/429693962.db2.gz SFBFNLITJVNRFY-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C[C@@H]1CCn2ccnc2C1 ZINC000367659077 429693966 /nfs/dbraw/zinc/69/39/66/429693966.db2.gz SFBFNLITJVNRFY-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C[C@@H]1CCn2ccnc2C1 ZINC000367659077 429693969 /nfs/dbraw/zinc/69/39/69/429693969.db2.gz SFBFNLITJVNRFY-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430574470 429694767 /nfs/dbraw/zinc/69/47/67/429694767.db2.gz SKVHCVSQJBXBEP-QZWWFDLISA-N 2 1 317.477 2.620 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000430574470 429694770 /nfs/dbraw/zinc/69/47/70/429694770.db2.gz SKVHCVSQJBXBEP-QZWWFDLISA-N 2 1 317.477 2.620 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCCC2)CC1 ZINC000079905476 276359501 /nfs/dbraw/zinc/35/95/01/276359501.db2.gz YJWUXTIOQOTUNO-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000430580273 429696711 /nfs/dbraw/zinc/69/67/11/429696711.db2.gz RRCCLMAJRJPCLJ-LJQANCHMSA-N 2 1 317.477 2.776 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430585170 429696745 /nfs/dbraw/zinc/69/67/45/429696745.db2.gz PXJIIQSPCYLGOU-CRAIPNDOSA-N 2 1 317.477 2.632 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c1 ZINC000430585170 429696750 /nfs/dbraw/zinc/69/67/50/429696750.db2.gz PXJIIQSPCYLGOU-CRAIPNDOSA-N 2 1 317.477 2.632 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(Br)c(F)c1)C1CC1 ZINC000430579167 429696862 /nfs/dbraw/zinc/69/68/62/429696862.db2.gz XYUBBIRWXSZTCK-ZDUSSCGKSA-N 2 1 301.203 2.805 20 0 DFADMP CCOc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(Cl)c1O ZINC000298481438 276369745 /nfs/dbraw/zinc/36/97/45/276369745.db2.gz PLIQUQHOBPPOFU-LLVKDONJSA-N 2 1 300.830 2.874 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000430599448 429700288 /nfs/dbraw/zinc/70/02/88/429700288.db2.gz QKXCRJJQPYIDIX-HRCADAONSA-N 2 1 303.450 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)cc1C ZINC000430599448 429700292 /nfs/dbraw/zinc/70/02/92/429700292.db2.gz QKXCRJJQPYIDIX-HRCADAONSA-N 2 1 303.450 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430599451 429701542 /nfs/dbraw/zinc/70/15/42/429701542.db2.gz QKXCRJJQPYIDIX-PMPSAXMXSA-N 2 1 303.450 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430599451 429701546 /nfs/dbraw/zinc/70/15/46/429701546.db2.gz QKXCRJJQPYIDIX-PMPSAXMXSA-N 2 1 303.450 2.690 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367721459 429706701 /nfs/dbraw/zinc/70/67/01/429706701.db2.gz OHYXSDMXZWPFPW-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367721459 429706706 /nfs/dbraw/zinc/70/67/06/429706706.db2.gz OHYXSDMXZWPFPW-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@@H]1C ZINC000430748241 429713947 /nfs/dbraw/zinc/71/39/47/429713947.db2.gz PNUOWNIULKBGAC-OVWQWFNUSA-N 2 1 317.477 2.702 20 0 DFADMP C[NH2+]CC1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000430920453 429722458 /nfs/dbraw/zinc/72/24/58/429722458.db2.gz OXCQYEMVZZBTGI-LLVKDONJSA-N 2 1 306.435 2.791 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCCSC3)C2)nc(C)[nH+]1 ZINC000367829907 429724763 /nfs/dbraw/zinc/72/47/63/429724763.db2.gz DKVCMLBXKKEECO-CABCVRRESA-N 2 1 306.479 2.547 20 0 DFADMP C[C@H](c1nc(Cc2ccccc2)no1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430950870 429728398 /nfs/dbraw/zinc/72/83/98/429728398.db2.gz JJGNAUUNHJNNRP-UONOGXRCSA-N 2 1 314.433 2.781 20 0 DFADMP [NH3+]C[C@@H]1CC[N@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430959794 429730106 /nfs/dbraw/zinc/73/01/06/429730106.db2.gz DQYVQGCOXLVIHT-INIZCTEOSA-N 2 1 321.509 2.761 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](CC(=O)N(C2CCCCC2)C2CCCCC2)C1 ZINC000430959794 429730107 /nfs/dbraw/zinc/73/01/07/429730107.db2.gz DQYVQGCOXLVIHT-INIZCTEOSA-N 2 1 321.509 2.761 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430967205 429730957 /nfs/dbraw/zinc/73/09/57/429730957.db2.gz RTMWVDNEQAGLNW-GFCCVEGCSA-N 2 1 302.340 2.626 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000430967205 429730961 /nfs/dbraw/zinc/73/09/61/429730961.db2.gz RTMWVDNEQAGLNW-GFCCVEGCSA-N 2 1 302.340 2.626 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062427 429738124 /nfs/dbraw/zinc/73/81/24/429738124.db2.gz QCTLHQKCCFCFNS-WBVHZDCISA-N 2 1 315.461 2.600 20 0 DFADMP C[C@@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431095500 429742383 /nfs/dbraw/zinc/74/23/83/429742383.db2.gz FUUPPVFWCGLIQJ-UKRRQHHQSA-N 2 1 314.433 2.717 20 0 DFADMP C[C@@H]1C[N@H+]2CCC[C@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324971 429743437 /nfs/dbraw/zinc/74/34/37/429743437.db2.gz UVAKJRMPRDGYSZ-AEFFLSMTSA-N 2 1 310.445 2.600 20 0 DFADMP C[C@@H](c1ccccc1)[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984590 429744270 /nfs/dbraw/zinc/74/42/70/429744270.db2.gz WWXJMWSKFXTYLC-KEVQOFRZSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H](c1ccccc1)[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984590 429744274 /nfs/dbraw/zinc/74/42/74/429744274.db2.gz WWXJMWSKFXTYLC-KEVQOFRZSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H](c1ccccc1)[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984590 429744279 /nfs/dbraw/zinc/74/42/79/429744279.db2.gz WWXJMWSKFXTYLC-KEVQOFRZSA-N 2 1 302.462 2.708 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](CC2=CCCCC2)CC1 ZINC000450994869 429745493 /nfs/dbraw/zinc/74/54/93/429745493.db2.gz RMEBMHNDRWXOSA-UHFFFAOYSA-N 2 1 310.482 2.546 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432107752 429801240 /nfs/dbraw/zinc/80/12/40/429801240.db2.gz CGFPIMQHBQAHKD-OAHLLOKOSA-N 2 1 319.449 2.660 20 0 DFADMP CCOC(=O)CCC[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432107752 429801246 /nfs/dbraw/zinc/80/12/46/429801246.db2.gz CGFPIMQHBQAHKD-OAHLLOKOSA-N 2 1 319.449 2.660 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093046 429801644 /nfs/dbraw/zinc/80/16/44/429801644.db2.gz ZYHGJNSRHMPBLJ-IAGOWNOFSA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093046 429801649 /nfs/dbraw/zinc/80/16/49/429801649.db2.gz ZYHGJNSRHMPBLJ-IAGOWNOFSA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000432093046 429801651 /nfs/dbraw/zinc/80/16/51/429801651.db2.gz ZYHGJNSRHMPBLJ-IAGOWNOFSA-N 2 1 316.493 2.883 20 0 DFADMP CC(C)C[C@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000451293980 429805196 /nfs/dbraw/zinc/80/51/96/429805196.db2.gz XFDMZMYRONMMQC-IBGZPJMESA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)C[C@@]1(C)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000451293100 429805690 /nfs/dbraw/zinc/80/56/90/429805690.db2.gz UYSNJPWLBYOVNF-LJQANCHMSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000368015395 429766782 /nfs/dbraw/zinc/76/67/82/429766782.db2.gz CROQZUFXKAGEAM-GOSISDBHSA-N 2 1 313.445 2.645 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000368015395 429766786 /nfs/dbraw/zinc/76/67/86/429766786.db2.gz CROQZUFXKAGEAM-GOSISDBHSA-N 2 1 313.445 2.645 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc(C)c1O ZINC000368018204 429768659 /nfs/dbraw/zinc/76/86/59/429768659.db2.gz IZPSMOCEQCFEID-RCCFBDPRSA-N 2 1 318.461 2.693 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000431729386 429778599 /nfs/dbraw/zinc/77/85/99/429778599.db2.gz COWXTYWRRDFNFC-INIZCTEOSA-N 2 1 309.498 2.630 20 0 DFADMP C[N@H+](CCCCC1CCOCC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368071690 429779192 /nfs/dbraw/zinc/77/91/92/429779192.db2.gz NPMDAWWOZWJRNU-KRWDZBQOSA-N 2 1 305.466 2.974 20 0 DFADMP C[N@@H+](CCCCC1CCOCC1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368071690 429779196 /nfs/dbraw/zinc/77/91/96/429779196.db2.gz NPMDAWWOZWJRNU-KRWDZBQOSA-N 2 1 305.466 2.974 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527691900 429779795 /nfs/dbraw/zinc/77/97/95/429779795.db2.gz LTZONZGLBWIMFI-OTWHNJEPSA-N 2 1 302.462 2.759 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](c3ccccc3)CC2)C1 ZINC000527691900 429779796 /nfs/dbraw/zinc/77/97/96/429779796.db2.gz LTZONZGLBWIMFI-OTWHNJEPSA-N 2 1 302.462 2.759 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749387 429780307 /nfs/dbraw/zinc/78/03/07/429780307.db2.gz KVAHYJPDPSOMTO-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749387 429780309 /nfs/dbraw/zinc/78/03/09/429780309.db2.gz KVAHYJPDPSOMTO-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[NH+](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749387 429780311 /nfs/dbraw/zinc/78/03/11/429780311.db2.gz KVAHYJPDPSOMTO-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000431782892 429782623 /nfs/dbraw/zinc/78/26/23/429782623.db2.gz HNCRFVURUHNNBQ-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000431782892 429782628 /nfs/dbraw/zinc/78/26/28/429782628.db2.gz HNCRFVURUHNNBQ-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000431782892 429782632 /nfs/dbraw/zinc/78/26/32/429782632.db2.gz HNCRFVURUHNNBQ-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP c1nc2c([nH]1)CC[C@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000368087853 429783550 /nfs/dbraw/zinc/78/35/50/429783550.db2.gz COMBUKOILPVRAM-HNNXBMFYSA-N 2 1 302.466 2.654 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000431861777 429786869 /nfs/dbraw/zinc/78/68/69/429786869.db2.gz VZMSAXCPJFUKPU-NXHRZFHOSA-N 2 1 317.477 2.621 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432419095 429821825 /nfs/dbraw/zinc/82/18/25/429821825.db2.gz YVWWLFFWKZGRTA-UKRRQHHQSA-N 2 1 323.506 2.919 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432419095 429821828 /nfs/dbraw/zinc/82/18/28/429821828.db2.gz YVWWLFFWKZGRTA-UKRRQHHQSA-N 2 1 323.506 2.919 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C[C@@H]1OC ZINC000432413436 429822068 /nfs/dbraw/zinc/82/20/68/429822068.db2.gz MMRFYBNUMIAWTH-ZACQAIPSSA-N 2 1 312.498 2.671 20 0 DFADMP COc1cccc([C@H](C[NH2+]C2CC[NH+](C3CC3)CC2)OC)c1 ZINC000527931917 429822598 /nfs/dbraw/zinc/82/25/98/429822598.db2.gz XCERNBROPSFGSQ-SFHVURJKSA-N 2 1 304.434 2.599 20 0 DFADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432424734 429823292 /nfs/dbraw/zinc/82/32/92/429823292.db2.gz QTCQDYYCYGYUTK-JKSUJKDBSA-N 2 1 308.470 2.616 20 0 DFADMP CC(C)n1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cn1 ZINC000432424734 429823295 /nfs/dbraw/zinc/82/32/95/429823295.db2.gz QTCQDYYCYGYUTK-JKSUJKDBSA-N 2 1 308.470 2.616 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000527935538 429823373 /nfs/dbraw/zinc/82/33/73/429823373.db2.gz ZWIMAWLIZAPSOV-YIOZNXECSA-N 2 1 316.445 2.679 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493782039 429828930 /nfs/dbraw/zinc/82/89/30/429828930.db2.gz SGBDYWAWIBXFMG-HNNXBMFYSA-N 2 1 322.453 2.523 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](N(C)C(=O)OC(C)(C)C)C1 ZINC000493782039 429828933 /nfs/dbraw/zinc/82/89/33/429828933.db2.gz SGBDYWAWIBXFMG-HNNXBMFYSA-N 2 1 322.453 2.523 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC24CC(C2)CO4)C3)cc1 ZINC000527977500 429829155 /nfs/dbraw/zinc/82/91/55/429829155.db2.gz GDVFNRWWJCULFI-NNUJQTDSSA-N 2 1 312.457 2.951 20 0 DFADMP Cc1cc(NCCC[N@H+]2CCCO[C@H](C)C2)c2ccccc2[nH+]1 ZINC000432866522 429845847 /nfs/dbraw/zinc/84/58/47/429845847.db2.gz LVDGJTHCCDEUST-MRXNPFEDSA-N 2 1 313.445 2.878 20 0 DFADMP COCC(C)(C)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000494371780 429869493 /nfs/dbraw/zinc/86/94/93/429869493.db2.gz UALAAYWPQZTORC-MRXNPFEDSA-N 2 1 320.477 2.670 20 0 DFADMP COCC(C)(C)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000494371780 429869496 /nfs/dbraw/zinc/86/94/96/429869496.db2.gz UALAAYWPQZTORC-MRXNPFEDSA-N 2 1 320.477 2.670 20 0 DFADMP COc1ccc2c(c1)C[N@@H+](CCCCn1cc[nH+]c1C)CCO2 ZINC000451644428 429866957 /nfs/dbraw/zinc/86/69/57/429866957.db2.gz TYDDNRGECAMIBP-UHFFFAOYSA-N 2 1 315.417 2.875 20 0 DFADMP COc1ccc2c(c1)C[N@H+](CCCCn1cc[nH+]c1C)CCO2 ZINC000451644428 429866959 /nfs/dbraw/zinc/86/69/59/429866959.db2.gz TYDDNRGECAMIBP-UHFFFAOYSA-N 2 1 315.417 2.875 20 0 DFADMP Cc1nc2ccc(C[NH2+]CCC[NH+]3CCC(O)CC3)cc2s1 ZINC000494329004 429867013 /nfs/dbraw/zinc/86/70/13/429867013.db2.gz LVVVGICHQZYLPE-UHFFFAOYSA-N 2 1 319.474 2.541 20 0 DFADMP O[C@H](C[NH2+][C@H]1CCc2cc(F)c(Cl)cc21)C[NH+]1CCCC1 ZINC000527845985 429808535 /nfs/dbraw/zinc/80/85/35/429808535.db2.gz BWHCUGRQOQXQPL-WBMJQRKESA-N 2 1 312.816 2.513 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527876071 429813274 /nfs/dbraw/zinc/81/32/74/429813274.db2.gz JMISGQCFCCSVFQ-HNNXBMFYSA-N 2 1 310.445 3.000 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527876071 429813281 /nfs/dbraw/zinc/81/32/81/429813281.db2.gz JMISGQCFCCSVFQ-HNNXBMFYSA-N 2 1 310.445 3.000 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000494481734 429876908 /nfs/dbraw/zinc/87/69/08/429876908.db2.gz BRMLDMLNGSGPEB-IRXDYDNUSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H]1C[N@@H+](CCCn2ccnc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000494502864 429877168 /nfs/dbraw/zinc/87/71/68/429877168.db2.gz HFTSOYXSXJAZIW-GJZGRUSLSA-N 2 1 322.453 2.603 20 0 DFADMP C[C@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CCCn1ccnc1 ZINC000494502864 429877169 /nfs/dbraw/zinc/87/71/69/429877169.db2.gz HFTSOYXSXJAZIW-GJZGRUSLSA-N 2 1 322.453 2.603 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399053 429884881 /nfs/dbraw/zinc/88/48/81/429884881.db2.gz QXWITSIBNIGACW-SJLPKXTDSA-N 2 1 308.441 2.657 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cccnc3)C2)nc(C)[nH+]1 ZINC000368678590 429886502 /nfs/dbraw/zinc/88/65/02/429886502.db2.gz VDZKVMIACAJCNW-WMLDXEAASA-N 2 1 311.433 2.808 20 0 DFADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000368720191 429889938 /nfs/dbraw/zinc/88/99/38/429889938.db2.gz WFFGMYLAWNFBLI-HAGHYFMRSA-N 2 1 314.473 2.851 20 0 DFADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000368720191 429889939 /nfs/dbraw/zinc/88/99/39/429889939.db2.gz WFFGMYLAWNFBLI-HAGHYFMRSA-N 2 1 314.473 2.851 20 0 DFADMP Fc1cc(Br)ccc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000368846517 429897946 /nfs/dbraw/zinc/89/79/46/429897946.db2.gz RQCLHPQVRAZWNT-LBPRGKRZSA-N 2 1 324.197 2.889 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000369033250 429908916 /nfs/dbraw/zinc/90/89/16/429908916.db2.gz XXRYWVAVPIFIPB-GJZGRUSLSA-N 2 1 320.481 2.947 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(C)(C)C)C1 ZINC000369033250 429908918 /nfs/dbraw/zinc/90/89/18/429908918.db2.gz XXRYWVAVPIFIPB-GJZGRUSLSA-N 2 1 320.481 2.947 20 0 DFADMP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000369186890 429918355 /nfs/dbraw/zinc/91/83/55/429918355.db2.gz GCDOVHCYHSJNFJ-FGTMMUONSA-N 2 1 302.466 2.689 20 0 DFADMP Cn1cncc1CN[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000369212850 429919946 /nfs/dbraw/zinc/91/99/46/429919946.db2.gz FTVIDVQTUIUFOD-SFHVURJKSA-N 2 1 312.461 2.810 20 0 DFADMP Cn1cncc1C[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000369212850 429919947 /nfs/dbraw/zinc/91/99/47/429919947.db2.gz FTVIDVQTUIUFOD-SFHVURJKSA-N 2 1 312.461 2.810 20 0 DFADMP CCn1nc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000369280439 429922355 /nfs/dbraw/zinc/92/23/55/429922355.db2.gz QOQZKTYTCVMMHT-HNNXBMFYSA-N 2 1 323.444 2.947 20 0 DFADMP CCn1nc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000369280439 429922356 /nfs/dbraw/zinc/92/23/56/429922356.db2.gz QOQZKTYTCVMMHT-HNNXBMFYSA-N 2 1 323.444 2.947 20 0 DFADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000494418801 429871148 /nfs/dbraw/zinc/87/11/48/429871148.db2.gz QXRUQZYYQPEWPQ-KGLIPLIRSA-N 2 1 311.470 2.530 20 0 DFADMP CN(CC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Cc1ccccc1 ZINC000451704708 429873990 /nfs/dbraw/zinc/87/39/90/429873990.db2.gz XLSOJWAPKRDLRU-GUDVDZBRSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](CCN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Cc1ccccc1 ZINC000451704708 429873994 /nfs/dbraw/zinc/87/39/94/429873994.db2.gz XLSOJWAPKRDLRU-GUDVDZBRSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](CCN1CC[C@@H]2C[C@H](O)CC[C@@H]2C1)Cc1ccccc1 ZINC000451704708 429873997 /nfs/dbraw/zinc/87/39/97/429873997.db2.gz XLSOJWAPKRDLRU-GUDVDZBRSA-N 2 1 302.462 2.601 20 0 DFADMP CN(CC[N@H+]1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)Cc1ccccc1 ZINC000451704709 429874631 /nfs/dbraw/zinc/87/46/31/429874631.db2.gz XLSOJWAPKRDLRU-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](CCN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)Cc1ccccc1 ZINC000451704709 429874633 /nfs/dbraw/zinc/87/46/33/429874633.db2.gz XLSOJWAPKRDLRU-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](CCN1CC[C@@H]2C[C@@H](O)CC[C@@H]2C1)Cc1ccccc1 ZINC000451704709 429874636 /nfs/dbraw/zinc/87/46/36/429874636.db2.gz XLSOJWAPKRDLRU-QRVBRYPASA-N 2 1 302.462 2.601 20 0 DFADMP CC[N@@H+]1[C@H](C)CN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C ZINC000639743100 429964150 /nfs/dbraw/zinc/96/41/50/429964150.db2.gz IZTFMKCYDJGCNS-SCTDSRPQSA-N 2 1 301.478 2.675 20 0 DFADMP CC[NH+]1[C@H](C)CN([C@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000639743100 429964152 /nfs/dbraw/zinc/96/41/52/429964152.db2.gz IZTFMKCYDJGCNS-SCTDSRPQSA-N 2 1 301.478 2.675 20 0 DFADMP CC[NH+]1[C@H](C)CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C ZINC000639743100 429964155 /nfs/dbraw/zinc/96/41/55/429964155.db2.gz IZTFMKCYDJGCNS-SCTDSRPQSA-N 2 1 301.478 2.675 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000639757959 429970320 /nfs/dbraw/zinc/97/03/20/429970320.db2.gz NMXSXZOEJZIIMZ-UHFFFAOYSA-N 2 1 318.461 2.630 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639756635 429970398 /nfs/dbraw/zinc/97/03/98/429970398.db2.gz ZSIXKTBWICXEKA-SFHVURJKSA-N 2 1 302.462 2.662 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000639758208 429970578 /nfs/dbraw/zinc/97/05/78/429970578.db2.gz QJBWIOLJOCQKJM-UHFFFAOYSA-N 2 1 324.472 2.849 20 0 DFADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)cc1 ZINC000573674923 429971697 /nfs/dbraw/zinc/97/16/97/429971697.db2.gz NPJAFGRNVODBTF-WFVVYAPDSA-N 2 1 307.869 2.815 20 0 DFADMP CO[C@@H](C)c1nc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758589 429972462 /nfs/dbraw/zinc/97/24/62/429972462.db2.gz VPVHQWHTHYRGOP-ZDUSSCGKSA-N 2 1 309.479 2.768 20 0 DFADMP CO[C@@H](C)c1nc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)cs1 ZINC000639758589 429972466 /nfs/dbraw/zinc/97/24/66/429972466.db2.gz VPVHQWHTHYRGOP-ZDUSSCGKSA-N 2 1 309.479 2.768 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000369399211 429937694 /nfs/dbraw/zinc/93/76/94/429937694.db2.gz SJJZDCVILCPNDS-AQDCRGGLSA-N 2 1 313.489 2.800 20 0 DFADMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)sc1C ZINC000639683276 429946029 /nfs/dbraw/zinc/94/60/29/429946029.db2.gz VAKOFTYXRIKEGX-UHFFFAOYSA-N 2 1 302.447 2.867 20 0 DFADMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)sc1C ZINC000639683276 429946032 /nfs/dbraw/zinc/94/60/32/429946032.db2.gz VAKOFTYXRIKEGX-UHFFFAOYSA-N 2 1 302.447 2.867 20 0 DFADMP CO[C@@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000639683687 429947270 /nfs/dbraw/zinc/94/72/70/429947270.db2.gz LQHMMABBBHUESS-SFHVURJKSA-N 2 1 303.450 2.799 20 0 DFADMP COCC[N@@H+](C)CC[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccccc1 ZINC000574415139 430039945 /nfs/dbraw/zinc/03/99/45/430039945.db2.gz SYQLFIOYRAXBRH-QYZOEREBSA-N 2 1 319.493 2.556 20 0 DFADMP CC1([NH+]2CCCC2)CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000639984178 430044479 /nfs/dbraw/zinc/04/44/79/430044479.db2.gz RTLALQAEUSRLFC-GOSISDBHSA-N 2 1 302.462 2.540 20 0 DFADMP CCCCOC[C@H](O)C[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639987086 430046132 /nfs/dbraw/zinc/04/61/32/430046132.db2.gz WEYNMGKHZFKZDD-QGZVFWFLSA-N 2 1 312.498 2.504 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573844488 429988273 /nfs/dbraw/zinc/98/82/73/429988273.db2.gz YWSURDGVLROFSY-RCCFBDPRSA-N 2 1 300.446 2.687 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573844488 429988278 /nfs/dbraw/zinc/98/82/78/429988278.db2.gz YWSURDGVLROFSY-RCCFBDPRSA-N 2 1 300.446 2.687 20 0 DFADMP O[C@]1(C[N@@H+]2CCC[C@@H](CCF)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639824902 429994814 /nfs/dbraw/zinc/99/48/14/429994814.db2.gz OFNFMQWXRCYKIT-OALUTQOASA-N 2 1 320.452 2.695 20 0 DFADMP O[C@]1(C[N@H+]2CCC[C@@H](CCF)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639824902 429994815 /nfs/dbraw/zinc/99/48/15/429994815.db2.gz OFNFMQWXRCYKIT-OALUTQOASA-N 2 1 320.452 2.695 20 0 DFADMP O[C@]1(C[NH+]2CCC[C@@H](CCF)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639824902 429994818 /nfs/dbraw/zinc/99/48/18/429994818.db2.gz OFNFMQWXRCYKIT-OALUTQOASA-N 2 1 320.452 2.695 20 0 DFADMP O[C@]1(C[NH+]2CCC[C@@H](CCF)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639824902 429994821 /nfs/dbraw/zinc/99/48/21/429994821.db2.gz OFNFMQWXRCYKIT-OALUTQOASA-N 2 1 320.452 2.695 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)CCC(=O)N2 ZINC000573915588 429994977 /nfs/dbraw/zinc/99/49/77/429994977.db2.gz AXAHXPBYXGYQEE-RJCAOGMDSA-N 2 1 313.445 2.847 20 0 DFADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@H](C)[NH+]3CCCCC3)cc12 ZINC000573936241 429995848 /nfs/dbraw/zinc/99/58/48/429995848.db2.gz XLQZSNWORLFFCI-AWEZNQCLSA-N 2 1 315.465 2.631 20 0 DFADMP O[C@]1(C[N@@H+]2CCCC(F)(F)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000639889672 430013613 /nfs/dbraw/zinc/01/36/13/430013613.db2.gz HDSCZRPNUTZTGF-KRWDZBQOSA-N 2 1 324.415 2.745 20 0 DFADMP O[C@]1(C[N@H+]2CCCC(F)(F)CC2)CC[NH+](Cc2ccccc2)C1 ZINC000639889672 430013616 /nfs/dbraw/zinc/01/36/16/430013616.db2.gz HDSCZRPNUTZTGF-KRWDZBQOSA-N 2 1 324.415 2.745 20 0 DFADMP O[C@]1(C[NH+]2CCCC(F)(F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639889672 430013627 /nfs/dbraw/zinc/01/36/27/430013627.db2.gz HDSCZRPNUTZTGF-KRWDZBQOSA-N 2 1 324.415 2.745 20 0 DFADMP O[C@]1(C[NH+]2CCCC(F)(F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639889672 430013630 /nfs/dbraw/zinc/01/36/30/430013630.db2.gz HDSCZRPNUTZTGF-KRWDZBQOSA-N 2 1 324.415 2.745 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC(F)(F)C1 ZINC000529540060 430023370 /nfs/dbraw/zinc/02/33/70/430023370.db2.gz DSXVASAKTWVHIO-DYVFJYSZSA-N 2 1 324.415 2.777 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917517 430023665 /nfs/dbraw/zinc/02/36/65/430023665.db2.gz HJMGFPOCQCBSGA-DOMZBBRYSA-N 2 1 300.805 2.586 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917517 430023670 /nfs/dbraw/zinc/02/36/70/430023670.db2.gz HJMGFPOCQCBSGA-DOMZBBRYSA-N 2 1 300.805 2.586 20 0 DFADMP O[C@]1(C[NH2+]C[C@@H]2CCCC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634715619 430088240 /nfs/dbraw/zinc/08/82/40/430088240.db2.gz GVUMFUVQMPUIHL-IRXDYDNUSA-N 2 1 324.415 2.648 20 0 DFADMP O[C@]1(C[NH2+]C[C@@H]2CCCC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715619 430088246 /nfs/dbraw/zinc/08/82/46/430088246.db2.gz GVUMFUVQMPUIHL-IRXDYDNUSA-N 2 1 324.415 2.648 20 0 DFADMP C[C@@H](C[N@H+](CC[C@@H]1CCC[NH+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916423 430103336 /nfs/dbraw/zinc/10/33/36/430103336.db2.gz AKHRWUIXMYXYRM-LNLFQRSKSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H](C[NH+](CC[C@@H]1CCC[N@@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916423 430103340 /nfs/dbraw/zinc/10/33/40/430103340.db2.gz AKHRWUIXMYXYRM-LNLFQRSKSA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H](C[NH+](CC[C@@H]1CCC[N@H+]1C)[C@@H](C)CO)c1ccccc1 ZINC000561916423 430103345 /nfs/dbraw/zinc/10/33/45/430103345.db2.gz AKHRWUIXMYXYRM-LNLFQRSKSA-N 2 1 304.478 2.957 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@H](C)c2c[nH+]ccc2N)OC)c1 ZINC000530212024 430104417 /nfs/dbraw/zinc/10/44/17/430104417.db2.gz QALQCBHVXCIGQO-PXAZEXFGSA-N 2 1 301.390 2.541 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000530221070 430106282 /nfs/dbraw/zinc/10/62/82/430106282.db2.gz CEKRZFYPQNGJBE-CGTJXYLNSA-N 2 1 306.425 2.977 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000562090824 430108104 /nfs/dbraw/zinc/10/81/04/430108104.db2.gz VYHNHTRAXMCMSV-BRWVUGGUSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000562090824 430108107 /nfs/dbraw/zinc/10/81/07/430108107.db2.gz VYHNHTRAXMCMSV-BRWVUGGUSA-N 2 1 312.498 2.671 20 0 DFADMP O[C@@]1(C[N@@H+]2CCC23CCCC3)CC[NH+](Cc2ccccc2)C1 ZINC000634649530 430065425 /nfs/dbraw/zinc/06/54/25/430065425.db2.gz PBQVQGWFCBNFQE-IBGZPJMESA-N 2 1 300.446 2.642 20 0 DFADMP O[C@@]1(C[N@H+]2CCC23CCCC3)CC[NH+](Cc2ccccc2)C1 ZINC000634649530 430065427 /nfs/dbraw/zinc/06/54/27/430065427.db2.gz PBQVQGWFCBNFQE-IBGZPJMESA-N 2 1 300.446 2.642 20 0 DFADMP O[C@@]1(C[NH+]2CCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000634649530 430065430 /nfs/dbraw/zinc/06/54/30/430065430.db2.gz PBQVQGWFCBNFQE-IBGZPJMESA-N 2 1 300.446 2.642 20 0 DFADMP O[C@@]1(C[NH+]2CCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649530 430065434 /nfs/dbraw/zinc/06/54/34/430065434.db2.gz PBQVQGWFCBNFQE-IBGZPJMESA-N 2 1 300.446 2.642 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CCOC(C)(C)C3)CC2)nc(C)[nH+]1 ZINC000634680148 430074847 /nfs/dbraw/zinc/07/48/47/430074847.db2.gz LWNBOFNKKNYYAB-INIZCTEOSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@H]([NH3+])c1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000637856485 430150554 /nfs/dbraw/zinc/15/05/54/430150554.db2.gz CEZVFDAMBZUDEK-HNNXBMFYSA-N 2 1 311.429 2.819 20 0 DFADMP CCC(CC)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637874555 430155158 /nfs/dbraw/zinc/15/51/58/430155158.db2.gz NCHXURYEMVNRDO-UHFFFAOYSA-N 2 1 317.477 2.675 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](NCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000580951788 430164221 /nfs/dbraw/zinc/16/42/21/430164221.db2.gz NIULMDWVLOENDA-LJQANCHMSA-N 2 1 313.489 2.869 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(C)(C)n2cncn2)CC1 ZINC000637906192 430168764 /nfs/dbraw/zinc/16/87/64/430168764.db2.gz RJMCXDJRSBBEET-MRXNPFEDSA-N 2 1 321.513 2.846 20 0 DFADMP C[C@H]1C[N@@H+](CCCNCc2cnc(C3CC3)s2)CCCO1 ZINC000562413227 430129948 /nfs/dbraw/zinc/12/99/48/430129948.db2.gz JKZJYLKCUHFSOK-ZDUSSCGKSA-N 2 1 309.479 2.611 20 0 DFADMP C[C@H]1CN(CCC[NH2+]Cc2cnc(C3CC3)s2)CCCO1 ZINC000562413227 430129953 /nfs/dbraw/zinc/12/99/53/430129953.db2.gz JKZJYLKCUHFSOK-ZDUSSCGKSA-N 2 1 309.479 2.611 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000637808829 430134612 /nfs/dbraw/zinc/13/46/12/430134612.db2.gz GNRHSXHGNNWFIY-SFHVURJKSA-N 2 1 323.440 2.867 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000580702062 430146285 /nfs/dbraw/zinc/14/62/85/430146285.db2.gz VVNRIMOUAKWSEL-GJZGRUSLSA-N 2 1 315.461 2.954 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000161857336 277024759 /nfs/dbraw/zinc/02/47/59/277024759.db2.gz HNXSGCRFZLOQMR-WSDZMALLSA-N 2 1 321.509 2.676 20 0 DFADMP C[NH+]1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1 ZINC000277061001 277030940 /nfs/dbraw/zinc/03/09/40/277030940.db2.gz HYJDCGSZHGTPBE-RTBURBONSA-N 2 1 320.452 2.583 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(-c2ccc(N)cc2)n1)[C@H]1CCC[NH2+]C1 ZINC000634995197 430187372 /nfs/dbraw/zinc/18/73/72/430187372.db2.gz YAASKNKEZCCVCO-ZBFHGGJFSA-N 2 1 310.445 2.809 20 0 DFADMP C[N@@H+]1CCC[C@@]2(CCN(c3cc[nH+]cc3Br)C2)C1 ZINC000292737344 277072807 /nfs/dbraw/zinc/07/28/07/277072807.db2.gz IPSGURCIXXZVIW-CQSZACIVSA-N 2 1 310.239 2.766 20 0 DFADMP C[N@H+]1CCC[C@@]2(CCN(c3cc[nH+]cc3Br)C2)C1 ZINC000292737344 277072808 /nfs/dbraw/zinc/07/28/08/277072808.db2.gz IPSGURCIXXZVIW-CQSZACIVSA-N 2 1 310.239 2.766 20 0 DFADMP Fc1ccc2oc(C[NH2+]C[C@@H]3CCc4[nH+]ccn4C3)nc2c1 ZINC000634977246 430180433 /nfs/dbraw/zinc/18/04/33/430180433.db2.gz USRRAGOXFFMRMG-NSHDSACASA-N 2 1 300.337 2.516 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000360420288 277077879 /nfs/dbraw/zinc/07/78/79/277077879.db2.gz WBQIAJDGQQXJAJ-KRWDZBQOSA-N 2 1 300.446 2.992 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@@]1(C)C[NH3+] ZINC000634995926 430188004 /nfs/dbraw/zinc/18/80/04/430188004.db2.gz UAWTYYSHTWIYNX-AUUYWEPGSA-N 2 1 310.445 2.748 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1cccc(-c3ccc(N)cc3)n1)C2 ZINC000634997948 430188650 /nfs/dbraw/zinc/18/86/50/430188650.db2.gz WZGMZXADRRNZLG-BGYRXZFFSA-N 2 1 322.456 2.762 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1cccc(-c3ccc(N)cc3)n1)C2 ZINC000634997948 430188654 /nfs/dbraw/zinc/18/86/54/430188654.db2.gz WZGMZXADRRNZLG-BGYRXZFFSA-N 2 1 322.456 2.762 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634998311 430188675 /nfs/dbraw/zinc/18/86/75/430188675.db2.gz DBLPUJCUPODLMY-SWLSCSKDSA-N 2 1 316.424 2.655 20 0 DFADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000634998447 430188812 /nfs/dbraw/zinc/18/88/12/430188812.db2.gz FTIYNAFLXIAPIT-AAEUAGOBSA-N 2 1 304.825 2.757 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000363996837 277107360 /nfs/dbraw/zinc/10/73/60/277107360.db2.gz GCRGZZMPRQMVRK-IBGZPJMESA-N 2 1 307.526 2.916 20 0 DFADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000634998449 430189450 /nfs/dbraw/zinc/18/94/50/430189450.db2.gz FTIYNAFLXIAPIT-WCQYABFASA-N 2 1 304.825 2.757 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000634998112 430190272 /nfs/dbraw/zinc/19/02/72/430190272.db2.gz AUJBFWUQAYYIDR-MWLCHTKSSA-N 2 1 304.768 2.968 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000634998112 430190276 /nfs/dbraw/zinc/19/02/76/430190276.db2.gz AUJBFWUQAYYIDR-MWLCHTKSSA-N 2 1 304.768 2.968 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000635000533 430190759 /nfs/dbraw/zinc/19/07/59/430190759.db2.gz QBWPDVJZFUYAKP-AAEUAGOBSA-N 2 1 314.376 2.713 20 0 DFADMP C[N@@H+]1CCO[C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000284855755 277129588 /nfs/dbraw/zinc/12/95/88/277129588.db2.gz DYILBSFMQRTSKK-IRXDYDNUSA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CCO[C@H]2CCN(c3cc[nH+]c4ccc(Cl)cc43)C[C@@H]21 ZINC000284855755 277129589 /nfs/dbraw/zinc/12/95/89/277129589.db2.gz DYILBSFMQRTSKK-IRXDYDNUSA-N 2 1 317.820 2.798 20 0 DFADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530940 430191818 /nfs/dbraw/zinc/19/18/18/430191818.db2.gz IZVGXSVMCHMTFX-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP CCc1oc2ccccc2c1C[NH+]1CCC([NH2+]CCO)CC1 ZINC000635001222 430192577 /nfs/dbraw/zinc/19/25/77/430192577.db2.gz KVQFGEFQCOQIEJ-UHFFFAOYSA-N 2 1 302.418 2.542 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc2c1CC[NH2+]C2 ZINC000635006088 430193034 /nfs/dbraw/zinc/19/30/34/430193034.db2.gz XLSAUZYLLUMSCT-CRAIPNDOSA-N 2 1 301.478 2.733 20 0 DFADMP OCC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(F)c1 ZINC000635006052 430193816 /nfs/dbraw/zinc/19/38/16/430193816.db2.gz XFUVMTLCBMQTSL-GYVWXKFASA-N 2 1 312.816 2.775 20 0 DFADMP COc1ccc([C@@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000635004424 430193963 /nfs/dbraw/zinc/19/39/63/430193963.db2.gz IPUIHNJGAAPNDW-OYSPMZIOSA-N 3 1 317.477 2.595 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@@H]2CCC[C@H]21 ZINC000353587544 277169808 /nfs/dbraw/zinc/16/98/08/277169808.db2.gz ZXAZXTNHGSQZQL-HRCADAONSA-N 2 1 320.506 2.574 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@H]21 ZINC000367638984 277172353 /nfs/dbraw/zinc/17/23/53/277172353.db2.gz SLIVCHSJKIQJJL-GBESFXJTSA-N 2 1 310.445 2.835 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCc3ccsc3)C2)CC1 ZINC000542101960 430202513 /nfs/dbraw/zinc/20/25/13/430202513.db2.gz BOXYSOFIGUPLDR-SFHVURJKSA-N 2 1 321.534 2.781 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000153776933 277211725 /nfs/dbraw/zinc/21/17/25/277211725.db2.gz BQPHETNJZOGXIJ-CQSZACIVSA-N 2 1 311.445 2.511 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(F)cc1N(C)C ZINC000153776933 277211726 /nfs/dbraw/zinc/21/17/26/277211726.db2.gz BQPHETNJZOGXIJ-CQSZACIVSA-N 2 1 311.445 2.511 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H]3CCCCC[C@H]3[NH3+])C2)cc1 ZINC000635013013 430198613 /nfs/dbraw/zinc/19/86/13/430198613.db2.gz PVLLVDRAGONFQS-OTWHNJEPSA-N 2 1 301.478 2.819 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H]3CCCCC[C@H]3[NH3+])C2)cc1 ZINC000635013013 430198615 /nfs/dbraw/zinc/19/86/15/430198615.db2.gz PVLLVDRAGONFQS-OTWHNJEPSA-N 2 1 301.478 2.819 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]CCn2ccc(C(F)(F)F)n2)c2ccccc21 ZINC000635013459 430198941 /nfs/dbraw/zinc/19/89/41/430198941.db2.gz FGQDNRPIORHZCY-STQMWFEESA-N 2 1 310.323 2.636 20 0 DFADMP Cc1scc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1C ZINC000638047169 430220153 /nfs/dbraw/zinc/22/01/53/430220153.db2.gz ZAKPNOAUQVLOMJ-ZDUSSCGKSA-N 2 1 310.507 2.890 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000638063341 430222968 /nfs/dbraw/zinc/22/29/68/430222968.db2.gz LUAPXMHNSYVCSX-CVEARBPZSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)C1 ZINC000638063981 430224195 /nfs/dbraw/zinc/22/41/95/430224195.db2.gz QOIOMCPIURSOOS-HNNXBMFYSA-N 2 1 315.461 2.857 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CCCC[C@H]1O ZINC000542484973 430212536 /nfs/dbraw/zinc/21/25/36/430212536.db2.gz CNOWGCBILMJPCX-CRAIPNDOSA-N 2 1 314.433 2.559 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000566119042 430241528 /nfs/dbraw/zinc/24/15/28/430241528.db2.gz OXNKOMQPMCXXJD-HNNXBMFYSA-N 2 1 321.440 2.784 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000581999747 430257611 /nfs/dbraw/zinc/25/76/11/430257611.db2.gz FVPPPYCRAPPVMX-ZACQAIPSSA-N 2 1 309.498 2.665 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)Cc3ccsc3)C2)CC1 ZINC000544023982 430270856 /nfs/dbraw/zinc/27/08/56/430270856.db2.gz QBVLYEGWSGDOIN-WMZOPIPTSA-N 2 1 321.534 2.779 20 0 DFADMP Cc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)c(=O)[nH]1 ZINC000544370734 430279519 /nfs/dbraw/zinc/27/95/19/430279519.db2.gz IZNYNFIYJNYJFW-GUYCJALGSA-N 2 1 318.465 2.623 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)c2oc(C[NH3+])cc2C)CC1 ZINC000638068920 430225971 /nfs/dbraw/zinc/22/59/71/430225971.db2.gz YYLKKTSBQHJFRB-UHFFFAOYSA-N 2 1 321.465 2.631 20 0 DFADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000542852050 430230594 /nfs/dbraw/zinc/23/05/94/430230594.db2.gz OSWWUPLURXVNBR-MNEFBYGVSA-N 2 1 302.462 2.922 20 0 DFADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(C)c1OC ZINC000582932423 430349478 /nfs/dbraw/zinc/34/94/78/430349478.db2.gz DUNAFNGAPMEOBQ-CJNGLKHVSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)c(C)c1OC ZINC000582932423 430349481 /nfs/dbraw/zinc/34/94/81/430349481.db2.gz DUNAFNGAPMEOBQ-CJNGLKHVSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)c(C)c1OC ZINC000582932423 430349485 /nfs/dbraw/zinc/34/94/85/430349485.db2.gz DUNAFNGAPMEOBQ-CJNGLKHVSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)c(C)c1OC ZINC000582932423 430349487 /nfs/dbraw/zinc/34/94/87/430349487.db2.gz DUNAFNGAPMEOBQ-CJNGLKHVSA-N 2 1 306.450 2.784 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308867 430288262 /nfs/dbraw/zinc/28/82/62/430288262.db2.gz AQCXHUUDBPZQPO-DOMZBBRYSA-N 2 1 304.825 2.837 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000582308867 430288266 /nfs/dbraw/zinc/28/82/66/430288266.db2.gz AQCXHUUDBPZQPO-DOMZBBRYSA-N 2 1 304.825 2.837 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635493976 430292132 /nfs/dbraw/zinc/29/21/32/430292132.db2.gz GAAFZKDAEOQPIM-HOTGVXAUSA-N 2 1 317.477 2.574 20 0 DFADMP C[N@@H+](CCC[NH2+]Cc1c[nH]c2ncncc12)C1CCCCC1 ZINC000638299199 430296833 /nfs/dbraw/zinc/29/68/33/430296833.db2.gz ASIPEMVTMZUDER-UHFFFAOYSA-N 2 1 301.438 2.654 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC000635514397 430296867 /nfs/dbraw/zinc/29/68/67/430296867.db2.gz NGXRBERXNOZPTM-HNNXBMFYSA-N 2 1 320.481 2.587 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000635514397 430296871 /nfs/dbraw/zinc/29/68/71/430296871.db2.gz NGXRBERXNOZPTM-HNNXBMFYSA-N 2 1 320.481 2.587 20 0 DFADMP C[N@@H+](CC(=O)Nc1nc(C2CC[NH2+]CC2)cs1)CC(C)(C)C ZINC000638334163 430308930 /nfs/dbraw/zinc/30/89/30/430308930.db2.gz WIBOIXQHRUCELK-UHFFFAOYSA-N 2 1 324.494 2.527 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2c[nH]c3ncncc23)C1 ZINC000638366557 430318218 /nfs/dbraw/zinc/31/82/18/430318218.db2.gz OIACAFJSSPKCHE-AWEZNQCLSA-N 2 1 301.438 2.511 20 0 DFADMP CO[C@@H](C[NH2+]CCCC[N@H+]1CCCC[C@H]1C)C1CCOCC1 ZINC000638365568 430318232 /nfs/dbraw/zinc/31/82/32/430318232.db2.gz GBBDADOZVYTKBS-AEFFLSMTSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]C[C@@H](C1CCCCC1)[NH+](C)C ZINC000638373257 430320008 /nfs/dbraw/zinc/32/00/08/430320008.db2.gz AFCZWJLKYMVGST-OIISXLGYSA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)O[C@@H](C[NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccccc1 ZINC000638410810 430333174 /nfs/dbraw/zinc/33/31/74/430333174.db2.gz CUHOREYJAKNLLH-MOPGFXCFSA-N 2 1 320.477 2.589 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638408583 430333822 /nfs/dbraw/zinc/33/38/22/430333822.db2.gz OQULNWFMUWAPNW-TWMKSMIVSA-N 2 1 323.525 2.780 20 0 DFADMP CC[C@@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000582812975 430336360 /nfs/dbraw/zinc/33/63/60/430336360.db2.gz DJNZEIJTRDSQCJ-QGZVFWFLSA-N 2 1 300.450 2.983 20 0 DFADMP CO[C@H](C[NH2+]Cc1ccc(-n2cc[nH+]c2C)c(F)c1)C1CC1 ZINC000638419733 430336500 /nfs/dbraw/zinc/33/65/00/430336500.db2.gz ITHGJGIKPVXNOZ-QGZVFWFLSA-N 2 1 303.381 2.834 20 0 DFADMP Cc1[nH+]ccn1CCCCn1cc(C[C@H]([NH3+])c2ccccc2)nn1 ZINC000641150563 430343839 /nfs/dbraw/zinc/34/38/39/430343839.db2.gz LXASOCZVPMSMRQ-SFHVURJKSA-N 2 1 324.432 2.506 20 0 DFADMP COC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000376651888 277570965 /nfs/dbraw/zinc/57/09/65/277570965.db2.gz NWKBCMXJEZDOPA-HUUCEWRRSA-N 2 1 305.809 2.829 20 0 DFADMP c1n[nH]c2c1CCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380975 430353153 /nfs/dbraw/zinc/35/31/53/430353153.db2.gz WARXSIQCJPHVFT-TXPKVOOTSA-N 2 1 324.428 2.633 20 0 DFADMP c1[nH]nc2c1CCC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380975 430353158 /nfs/dbraw/zinc/35/31/58/430353158.db2.gz WARXSIQCJPHVFT-TXPKVOOTSA-N 2 1 324.428 2.633 20 0 DFADMP C[N@@H+](CCC(=O)N[C@H]1CC[NH+](C2CCCC2)C1)C1CCCCC1 ZINC000547732941 430416870 /nfs/dbraw/zinc/41/68/70/430416870.db2.gz UMOMEEPMBSYTBI-INIZCTEOSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1)C1CCCCC1 ZINC000547732941 430416873 /nfs/dbraw/zinc/41/68/73/430416873.db2.gz UMOMEEPMBSYTBI-INIZCTEOSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)C1CCCCC1 ZINC000547732941 430416877 /nfs/dbraw/zinc/41/68/77/430416877.db2.gz UMOMEEPMBSYTBI-INIZCTEOSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547731739 430416947 /nfs/dbraw/zinc/41/69/47/430416947.db2.gz DIJLAQABUSCHSW-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583078913 430361036 /nfs/dbraw/zinc/36/10/36/430361036.db2.gz ZNPRJJMZTRDBLI-DKKFBQAASA-N 3 1 319.468 2.626 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](Cc3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000568483023 430361475 /nfs/dbraw/zinc/36/14/75/430361475.db2.gz XVINHBGDBFRLFI-OAHLLOKOSA-N 2 1 323.444 2.991 20 0 DFADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C[NH+]1CCCCC1 ZINC000546723039 430365958 /nfs/dbraw/zinc/36/59/58/430365958.db2.gz NVXDOLQDQFIRAL-QGZVFWFLSA-N 2 1 323.525 2.879 20 0 DFADMP CO[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521654 430366383 /nfs/dbraw/zinc/36/63/83/430366383.db2.gz NPEYHMQIANXLJW-IEBWSBKVSA-N 2 1 302.462 2.566 20 0 DFADMP CC[C@H](C)[C@H](C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)OC ZINC000638534642 430369832 /nfs/dbraw/zinc/36/98/32/430369832.db2.gz YCXJNILVACTYER-XKQJLSEDSA-N 2 1 320.481 2.713 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CS[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000638534595 430370175 /nfs/dbraw/zinc/37/01/75/430370175.db2.gz XRFNJZNRKHREHW-AEGPPILISA-N 2 1 306.479 2.546 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)nsc2C)C1 ZINC000583212083 430373523 /nfs/dbraw/zinc/37/35/23/430373523.db2.gz ITZWMFHRTJRBCY-HNNXBMFYSA-N 2 1 311.495 2.693 20 0 DFADMP Cc1cnccc1CC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000583201239 430374147 /nfs/dbraw/zinc/37/41/47/430374147.db2.gz ARENSDKQDGMGAF-IBGZPJMESA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cnccc1CC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000583201239 430374153 /nfs/dbraw/zinc/37/41/53/430374153.db2.gz ARENSDKQDGMGAF-IBGZPJMESA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cnccc1CC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000583201239 430374158 /nfs/dbraw/zinc/37/41/58/430374158.db2.gz ARENSDKQDGMGAF-IBGZPJMESA-N 2 1 324.472 2.781 20 0 DFADMP Cc1cnccc1CC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000583201239 430374163 /nfs/dbraw/zinc/37/41/63/430374163.db2.gz ARENSDKQDGMGAF-IBGZPJMESA-N 2 1 324.472 2.781 20 0 DFADMP Fc1cc(Br)cc(C[NH2+]CCC[NH+]2CCC2)c1 ZINC000583213842 430375892 /nfs/dbraw/zinc/37/58/92/430375892.db2.gz GOKAVNDVHIUAKX-UHFFFAOYSA-N 2 1 301.203 2.774 20 0 DFADMP Cc1ccc(CC[NH2+]CC2([NH+]3CCCC3)CCOCC2)cc1 ZINC000638557408 430376175 /nfs/dbraw/zinc/37/61/75/430376175.db2.gz PRTJEYPPBAYOGN-UHFFFAOYSA-N 2 1 302.462 2.772 20 0 DFADMP CSc1ccc([C@H](CN[C@@H](C)[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000583257281 430377118 /nfs/dbraw/zinc/37/71/18/430377118.db2.gz XBOCADYFXPHYIV-ZVZYQTTQSA-N 2 1 321.534 2.989 20 0 DFADMP C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000635787423 430377563 /nfs/dbraw/zinc/37/75/63/430377563.db2.gz MVQNVGYSKDVEBD-HZPDHXFCSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000635787423 430377567 /nfs/dbraw/zinc/37/75/67/430377567.db2.gz MVQNVGYSKDVEBD-HZPDHXFCSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000635787423 430377572 /nfs/dbraw/zinc/37/75/72/430377572.db2.gz MVQNVGYSKDVEBD-HZPDHXFCSA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000635790771 430377790 /nfs/dbraw/zinc/37/77/90/430377790.db2.gz YQOWTHXOLBFXAE-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000568638131 430378451 /nfs/dbraw/zinc/37/84/51/430378451.db2.gz MXRXIZDQQARDBB-UHFFFAOYSA-N 2 1 306.841 2.788 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2N)[C@H](C)C1 ZINC000638595368 430383434 /nfs/dbraw/zinc/38/34/34/430383434.db2.gz RNXGMKTUHINHGQ-PBHICJAKSA-N 2 1 323.456 2.635 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(F)c2N)[C@H](C)C1 ZINC000638595368 430383437 /nfs/dbraw/zinc/38/34/37/430383437.db2.gz RNXGMKTUHINHGQ-PBHICJAKSA-N 2 1 323.456 2.635 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)[C@@H](C)C1 ZINC000638595370 430383641 /nfs/dbraw/zinc/38/36/41/430383641.db2.gz RNXGMKTUHINHGQ-WMLDXEAASA-N 2 1 323.456 2.635 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)[C@@H](C)C1 ZINC000638595370 430383643 /nfs/dbraw/zinc/38/36/43/430383643.db2.gz RNXGMKTUHINHGQ-WMLDXEAASA-N 2 1 323.456 2.635 20 0 DFADMP c1ccc(C[NH+]2CCC(NCC[NH+]3CCCCCC3)CC2)nc1 ZINC000583343704 430386590 /nfs/dbraw/zinc/38/65/90/430386590.db2.gz GZKOMXZZLVYUGG-UHFFFAOYSA-N 2 1 316.493 2.512 20 0 DFADMP Cc1ccccc1[C@@H]([C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1C)[NH+](C)C ZINC000635851137 430394178 /nfs/dbraw/zinc/39/41/78/430394178.db2.gz RDTZYOUKQVMHLQ-BPQIPLTHSA-N 2 1 317.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497163 430401231 /nfs/dbraw/zinc/40/12/31/430401231.db2.gz YAERBCNTOXRESZ-QQOXCAACSA-N 2 1 303.450 2.767 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497163 430401236 /nfs/dbraw/zinc/40/12/36/430401236.db2.gz YAERBCNTOXRESZ-QQOXCAACSA-N 2 1 303.450 2.767 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CC/C=C/c2cncc(OC)c2)C1 ZINC000583497163 430401239 /nfs/dbraw/zinc/40/12/39/430401239.db2.gz YAERBCNTOXRESZ-QQOXCAACSA-N 2 1 303.450 2.767 20 0 DFADMP CO[C@]1(C[NH2+]C[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCOC1 ZINC000638669717 430404576 /nfs/dbraw/zinc/40/45/76/430404576.db2.gz AGEGRWACOMJXKS-OIISXLGYSA-N 2 1 324.490 2.526 20 0 DFADMP CO[C@]1(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCOC1 ZINC000638669717 430404579 /nfs/dbraw/zinc/40/45/79/430404579.db2.gz AGEGRWACOMJXKS-OIISXLGYSA-N 2 1 324.490 2.526 20 0 DFADMP C[C@H]1CC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000569250015 430437517 /nfs/dbraw/zinc/43/75/17/430437517.db2.gz WEYQVUIHNMZCJY-SHTZXODSSA-N 2 1 316.449 2.598 20 0 DFADMP C[C@@H](Cc1ccsc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000583899356 430439614 /nfs/dbraw/zinc/43/96/14/430439614.db2.gz MGLCCYFEBITGFR-HNNXBMFYSA-N 2 1 309.523 2.637 20 0 DFADMP CCCC[C@H](CC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548059933 430441638 /nfs/dbraw/zinc/44/16/38/430441638.db2.gz JIMISOUZPUMGPB-HNNXBMFYSA-N 2 1 318.465 2.988 20 0 DFADMP CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)COC1 ZINC000569361837 430448112 /nfs/dbraw/zinc/44/81/12/430448112.db2.gz VUWOMHIJSZOLNN-KRWDZBQOSA-N 2 1 300.446 2.810 20 0 DFADMP CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)COC1 ZINC000569361837 430448117 /nfs/dbraw/zinc/44/81/17/430448117.db2.gz VUWOMHIJSZOLNN-KRWDZBQOSA-N 2 1 300.446 2.810 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048121 430452941 /nfs/dbraw/zinc/45/29/41/430452941.db2.gz DLHTXCJNUFFTTL-AEFFLSMTSA-N 2 1 324.896 2.953 20 0 DFADMP C[C@H](NCC[N@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155709 430453751 /nfs/dbraw/zinc/45/37/51/430453751.db2.gz CIFXJNPMUVZGDX-HBFSDRIKSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NCC[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155709 430453758 /nfs/dbraw/zinc/45/37/58/430453758.db2.gz CIFXJNPMUVZGDX-HBFSDRIKSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NCC[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155709 430453761 /nfs/dbraw/zinc/45/37/61/430453761.db2.gz CIFXJNPMUVZGDX-HBFSDRIKSA-N 2 1 315.505 2.828 20 0 DFADMP CC1(C)CCC[C@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000569437762 430453932 /nfs/dbraw/zinc/45/39/32/430453932.db2.gz SZRAWHZOTFCDPZ-BBWFWOEESA-N 2 1 306.494 2.903 20 0 DFADMP Nc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000641720641 430454249 /nfs/dbraw/zinc/45/42/49/430454249.db2.gz NGZRQZISARPRPC-YQQQUEKLSA-N 2 1 322.456 2.949 20 0 DFADMP Nc1cnccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000641720641 430454253 /nfs/dbraw/zinc/45/42/53/430454253.db2.gz NGZRQZISARPRPC-YQQQUEKLSA-N 2 1 322.456 2.949 20 0 DFADMP CO[C@@H](C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000638853403 430456201 /nfs/dbraw/zinc/45/62/01/430456201.db2.gz FJAHMPPFQWEFON-OALUTQOASA-N 2 1 320.477 2.668 20 0 DFADMP CO[C@H](C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@H]1CCOC1 ZINC000638853404 430456931 /nfs/dbraw/zinc/45/69/31/430456931.db2.gz FJAHMPPFQWEFON-RBUKOAKNSA-N 2 1 320.477 2.668 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469257 430457560 /nfs/dbraw/zinc/45/75/60/430457560.db2.gz RUJRFQUXAGPMAH-OTWHNJEPSA-N 2 1 304.478 2.876 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469257 430457565 /nfs/dbraw/zinc/45/75/65/430457565.db2.gz RUJRFQUXAGPMAH-OTWHNJEPSA-N 2 1 304.478 2.876 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCC[C@@H]1c1ccc(C)cc1 ZINC000569469257 430457581 /nfs/dbraw/zinc/45/75/81/430457581.db2.gz RUJRFQUXAGPMAH-OTWHNJEPSA-N 2 1 304.478 2.876 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469255 430457866 /nfs/dbraw/zinc/45/78/66/430457866.db2.gz RUJRFQUXAGPMAH-GBESFXJTSA-N 2 1 304.478 2.876 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469255 430457870 /nfs/dbraw/zinc/45/78/70/430457870.db2.gz RUJRFQUXAGPMAH-GBESFXJTSA-N 2 1 304.478 2.876 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCC[C@H]1c1ccc(C)cc1 ZINC000569469255 430457882 /nfs/dbraw/zinc/45/78/82/430457882.db2.gz RUJRFQUXAGPMAH-GBESFXJTSA-N 2 1 304.478 2.876 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1N)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000641746109 430457971 /nfs/dbraw/zinc/45/79/71/430457971.db2.gz MZJSTTXKKJQSFQ-QAPCUYQASA-N 2 1 310.445 2.664 20 0 DFADMP C[C@@H](CC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)[NH+]1CCCCC1 ZINC000641748242 430460162 /nfs/dbraw/zinc/46/01/62/430460162.db2.gz VYAYNZPXZVCIFJ-ZDUSSCGKSA-N 2 1 302.422 2.623 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000641770444 430467628 /nfs/dbraw/zinc/46/76/28/430467628.db2.gz RZCIJDNRDRXPTC-IYKSTZQJSA-N 2 1 312.404 2.660 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180516 430468194 /nfs/dbraw/zinc/46/81/94/430468194.db2.gz QVXAPQOMHXNQIZ-UYAOXDASSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+](C)C[C@@H](O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180516 430468198 /nfs/dbraw/zinc/46/81/98/430468198.db2.gz QVXAPQOMHXNQIZ-UYAOXDASSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180516 430468204 /nfs/dbraw/zinc/46/82/04/430468204.db2.gz QVXAPQOMHXNQIZ-UYAOXDASSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180516 430468207 /nfs/dbraw/zinc/46/82/07/430468207.db2.gz QVXAPQOMHXNQIZ-UYAOXDASSA-N 2 1 316.489 2.669 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180516 430468211 /nfs/dbraw/zinc/46/82/11/430468211.db2.gz QVXAPQOMHXNQIZ-UYAOXDASSA-N 2 1 316.489 2.669 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180516 430468216 /nfs/dbraw/zinc/46/82/16/430468216.db2.gz QVXAPQOMHXNQIZ-UYAOXDASSA-N 2 1 316.489 2.669 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]2(CCCc3ccccc32)C1 ZINC000584180516 430468218 /nfs/dbraw/zinc/46/82/18/430468218.db2.gz QVXAPQOMHXNQIZ-UYAOXDASSA-N 2 1 316.489 2.669 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@H]2C[NH+](C)CC[C@H]21)C1CCCCC1 ZINC000548393080 430469706 /nfs/dbraw/zinc/46/97/06/430469706.db2.gz KNXUMFBEIWQEPX-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803398 430476472 /nfs/dbraw/zinc/47/64/72/430476472.db2.gz FKJFINSTVFEOCD-APHBMKBZSA-N 2 1 303.450 2.852 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803814 430478848 /nfs/dbraw/zinc/47/88/48/430478848.db2.gz HXURPESTERHBLG-RCBQFDQVSA-N 2 1 317.477 2.854 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641809288 430480082 /nfs/dbraw/zinc/48/00/82/430480082.db2.gz VROKMCFPHCBWHW-GDLCADMTSA-N 2 1 309.841 2.691 20 0 DFADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCC(=O)Nc2ccccc2F)[C@@H]1C ZINC000641809276 430480144 /nfs/dbraw/zinc/48/01/44/430480144.db2.gz QHMXCLKYZFZGAT-MGPQQGTHSA-N 2 1 307.413 2.602 20 0 DFADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1C ZINC000641809276 430480149 /nfs/dbraw/zinc/48/01/49/430480149.db2.gz QHMXCLKYZFZGAT-MGPQQGTHSA-N 2 1 307.413 2.602 20 0 DFADMP CC[C@H](C)[C@@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)OC ZINC000638724791 430419258 /nfs/dbraw/zinc/41/92/58/430419258.db2.gz BJLHMIIJEBQBSG-DOTOQJQBSA-N 2 1 300.487 2.527 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)CC(C)C ZINC000638730144 430420039 /nfs/dbraw/zinc/42/00/39/430420039.db2.gz SXLSUMHYUFOMBF-KRWDZBQOSA-N 2 1 300.487 2.527 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1CCC([N@H+](C)CCCO)CC1 ZINC000569716408 430480285 /nfs/dbraw/zinc/48/02/85/430480285.db2.gz DPULQLNJYBMKTL-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1CCC([N@@H+](C)CCCO)CC1 ZINC000569716408 430480290 /nfs/dbraw/zinc/48/02/90/430480290.db2.gz DPULQLNJYBMKTL-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)o1 ZINC000641821560 430482976 /nfs/dbraw/zinc/48/29/76/430482976.db2.gz LOXSYYXQUPEYRU-ARFHVFGLSA-N 2 1 321.465 2.796 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)N2CCCC2)o1 ZINC000569919121 430496331 /nfs/dbraw/zinc/49/63/31/430496331.db2.gz JPMXVZCQDKGYSY-ZACQAIPSSA-N 2 1 305.466 2.703 20 0 DFADMP Cc1scc(C[N@H+]2CCC[C@H](CN3CCOCC3)C2)c1C ZINC000639142633 430541001 /nfs/dbraw/zinc/54/10/01/430541001.db2.gz ZBBRPKZTIOBDIC-MRXNPFEDSA-N 2 1 308.491 2.909 20 0 DFADMP CCC1([NH+]2CCCC2)CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC000636309949 430511666 /nfs/dbraw/zinc/51/16/66/430511666.db2.gz IEBKFQLGMIZYSV-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP C[N@@H+](Cc1ccc2nccnc2c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077500 430514154 /nfs/dbraw/zinc/51/41/54/430514154.db2.gz MQRAZOVHIGTQJK-HNNXBMFYSA-N 2 1 307.401 2.521 20 0 DFADMP C[N@H+](Cc1ccc2nccnc2c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077500 430514158 /nfs/dbraw/zinc/51/41/58/430514158.db2.gz MQRAZOVHIGTQJK-HNNXBMFYSA-N 2 1 307.401 2.521 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000549405220 430526258 /nfs/dbraw/zinc/52/62/58/430526258.db2.gz AZVBTUSXXDWDPB-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP O=c1ccc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)c[nH]1 ZINC000639114567 430530032 /nfs/dbraw/zinc/53/00/32/430530032.db2.gz LHDAQVXTMFRIHV-UHFFFAOYSA-N 2 1 312.417 2.700 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]CC(C)(C)Oc2ccccc2)CCCO1 ZINC000639115370 430530695 /nfs/dbraw/zinc/53/06/95/430530695.db2.gz BWULYPFNTLDIHT-KRWDZBQOSA-N 2 1 320.477 2.935 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570331965 430533180 /nfs/dbraw/zinc/53/31/80/430533180.db2.gz WGDSCZLMWLCNCT-CVEARBPZSA-N 2 1 324.415 2.789 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570331965 430533185 /nfs/dbraw/zinc/53/31/85/430533185.db2.gz WGDSCZLMWLCNCT-CVEARBPZSA-N 2 1 324.415 2.789 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325403 430533567 /nfs/dbraw/zinc/53/35/67/430533567.db2.gz WTGOIALFYZLSNH-QGPMSJSTSA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CC[C@@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325403 430533568 /nfs/dbraw/zinc/53/35/68/430533568.db2.gz WTGOIALFYZLSNH-QGPMSJSTSA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551050766 430548968 /nfs/dbraw/zinc/54/89/68/430548968.db2.gz BROPTPLQOGONEP-OTWHNJEPSA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOC[C@H]2CCCO2)C[C@H]1c1ccccc1 ZINC000551050766 430548972 /nfs/dbraw/zinc/54/89/72/430548972.db2.gz BROPTPLQOGONEP-OTWHNJEPSA-N 2 1 318.461 2.607 20 0 DFADMP Cc1ccc(CN(C)CC[N@@H+](C)C2CCN(C)CC2)c(F)c1 ZINC000639170274 430552910 /nfs/dbraw/zinc/55/29/10/430552910.db2.gz RJAYBZMKFDMIJE-UHFFFAOYSA-N 2 1 307.457 2.592 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180433 430559210 /nfs/dbraw/zinc/55/92/10/430559210.db2.gz WSLIXCGGBLIAAO-LMMKCTJWSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180433 430559213 /nfs/dbraw/zinc/55/92/13/430559213.db2.gz WSLIXCGGBLIAAO-LMMKCTJWSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180433 430559216 /nfs/dbraw/zinc/55/92/16/430559216.db2.gz WSLIXCGGBLIAAO-LMMKCTJWSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180433 430559220 /nfs/dbraw/zinc/55/92/20/430559220.db2.gz WSLIXCGGBLIAAO-LMMKCTJWSA-N 2 1 301.478 2.785 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)C[C@H]1CCN(c2ccccc2)C1 ZINC000639180433 430559222 /nfs/dbraw/zinc/55/92/22/430559222.db2.gz WSLIXCGGBLIAAO-LMMKCTJWSA-N 2 1 301.478 2.785 20 0 DFADMP CC[C@@H]1CN(c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000570695623 430570039 /nfs/dbraw/zinc/57/00/39/430570039.db2.gz YXZZGLBGNCHHQV-QGZVFWFLSA-N 2 1 312.461 2.954 20 0 DFADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000570695623 430570041 /nfs/dbraw/zinc/57/00/41/430570041.db2.gz YXZZGLBGNCHHQV-QGZVFWFLSA-N 2 1 312.461 2.954 20 0 DFADMP CCNC(=O)[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(C)C ZINC000552084155 430583569 /nfs/dbraw/zinc/58/35/69/430583569.db2.gz RBYZGEOXUKUIFB-JQHSSLGASA-N 2 1 323.525 2.780 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]3CCC[C@H]31)CCO2 ZINC000552065206 430584033 /nfs/dbraw/zinc/58/40/33/430584033.db2.gz JTEUCXXDNVCZRE-XOYOTBSWSA-N 2 1 316.445 2.981 20 0 DFADMP COC[C@@H](C)C[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000570966350 430592135 /nfs/dbraw/zinc/59/21/35/430592135.db2.gz UAEGIPMWHGXHDM-GOEBONIOSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639271558 430595260 /nfs/dbraw/zinc/59/52/60/430595260.db2.gz NBIDRHGWRZSVFU-PBWTXFEYSA-N 2 1 300.446 2.858 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639271558 430595265 /nfs/dbraw/zinc/59/52/65/430595265.db2.gz NBIDRHGWRZSVFU-PBWTXFEYSA-N 2 1 300.446 2.858 20 0 DFADMP CO[C@@](C)(C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)C1CC1 ZINC000639285909 430597483 /nfs/dbraw/zinc/59/74/83/430597483.db2.gz LODIZGUIBVEZQP-NEWSRXKRSA-N 2 1 302.462 2.737 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]C2CC(n3cccn3)C2)[C@H](c2ccccc2)C1 ZINC000639285488 430598289 /nfs/dbraw/zinc/59/82/89/430598289.db2.gz GQPABCHJWLLIKS-UGXKVIGPSA-N 2 1 310.445 2.522 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]2[C@H](O)C(F)(F)F)c(C)n1 ZINC000639483170 430651647 /nfs/dbraw/zinc/65/16/47/430651647.db2.gz RSQJWADPJJILBY-KBPBESRZSA-N 2 1 302.340 2.894 20 0 DFADMP Cc1cc(C)c(CN2CCC[C@H]2[C@H](O)C(F)(F)F)c(C)n1 ZINC000639483170 430651649 /nfs/dbraw/zinc/65/16/49/430651649.db2.gz RSQJWADPJJILBY-KBPBESRZSA-N 2 1 302.340 2.894 20 0 DFADMP CC(C)C1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000639307842 430604096 /nfs/dbraw/zinc/60/40/96/430604096.db2.gz IYJJRRMXNAYSBE-GOSISDBHSA-N 2 1 302.462 2.779 20 0 DFADMP COc1ccc([C@H]([NH2+]C2CCC(CO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643471292 430606297 /nfs/dbraw/zinc/60/62/97/430606297.db2.gz OWMNDGCPBSCSIL-DCHPOBJKSA-N 2 1 318.461 2.629 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643479192 430606590 /nfs/dbraw/zinc/60/65/90/430606590.db2.gz JERKENOTKFWJFD-FUHWJXTLSA-N 2 1 324.428 2.783 20 0 DFADMP C[C@@H]1[C@H](NC[C@H]2CCCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000643502239 430610484 /nfs/dbraw/zinc/61/04/84/430610484.db2.gz AVAVLHIHALQQFA-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)c(C)c1OC ZINC000643502650 430610745 /nfs/dbraw/zinc/61/07/45/430610745.db2.gz MMVYODHQZZTVPV-BBRMVZONSA-N 2 1 306.450 2.675 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533961 430612462 /nfs/dbraw/zinc/61/24/62/430612462.db2.gz ISVLBZMIJFJDDL-NEWSRXKRSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643533961 430612465 /nfs/dbraw/zinc/61/24/65/430612465.db2.gz ISVLBZMIJFJDDL-NEWSRXKRSA-N 3 1 313.489 2.629 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC(C)(C)Oc2ccccc2)CCO1 ZINC000639335072 430612532 /nfs/dbraw/zinc/61/25/32/430612532.db2.gz MDWFHKARKPWSQJ-GOSISDBHSA-N 2 1 320.477 2.887 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CCC[NH2+]CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000643522583 430612937 /nfs/dbraw/zinc/61/29/37/430612937.db2.gz POKRBXIIBNWUCY-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CCC[NH2+]CC2)CCC[N@H+]1Cc1ccccc1 ZINC000643522583 430612941 /nfs/dbraw/zinc/61/29/41/430612941.db2.gz POKRBXIIBNWUCY-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643548376 430615429 /nfs/dbraw/zinc/61/54/29/430615429.db2.gz ONLQOVZABZXSCW-OCCSQVGLSA-N 2 1 323.506 2.966 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)n1 ZINC000643543851 430615544 /nfs/dbraw/zinc/61/55/44/430615544.db2.gz DDAFXSADRUJYRG-AOCRQIFASA-N 2 1 316.493 2.565 20 0 DFADMP CC[C@@H](Cc1cccs1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000643543865 430616409 /nfs/dbraw/zinc/61/64/09/430616409.db2.gz IVJKPSKYZSURNW-GTPINHCMSA-N 2 1 321.534 2.875 20 0 DFADMP Cc1ccc(CN[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000639371424 430622463 /nfs/dbraw/zinc/62/24/63/430622463.db2.gz GZDWTMWGSXKKMI-UAGQMJEPSA-N 2 1 308.853 2.726 20 0 DFADMP Cc1ccc(CN[C@@H]2CCC[C@@H]2[N@H+]2CC[C@H](O)C2)c(Cl)c1 ZINC000639371424 430622466 /nfs/dbraw/zinc/62/24/66/430622466.db2.gz GZDWTMWGSXKKMI-UAGQMJEPSA-N 2 1 308.853 2.726 20 0 DFADMP Cc1cc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c(C)s1 ZINC000571397157 430625507 /nfs/dbraw/zinc/62/55/07/430625507.db2.gz ZQSSPLNKNYLTKY-NSHDSACASA-N 2 1 319.478 2.801 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000554521446 430640599 /nfs/dbraw/zinc/64/05/99/430640599.db2.gz JIGMBVPZOAOZTD-SFHVURJKSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000554521446 430640601 /nfs/dbraw/zinc/64/06/01/430640601.db2.gz JIGMBVPZOAOZTD-SFHVURJKSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000554521446 430640602 /nfs/dbraw/zinc/64/06/02/430640602.db2.gz JIGMBVPZOAOZTD-SFHVURJKSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N1CCC[NH+](CC2CCC2)CC1 ZINC000571620748 430641090 /nfs/dbraw/zinc/64/10/90/430641090.db2.gz OMNLBMZENCKAJN-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@H+](CC2CCC2)CC1 ZINC000571620748 430641092 /nfs/dbraw/zinc/64/10/92/430641092.db2.gz OMNLBMZENCKAJN-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCCC[C@@H]1C(=O)N1CCC[N@@H+](CC2CCC2)CC1 ZINC000571620748 430641094 /nfs/dbraw/zinc/64/10/94/430641094.db2.gz OMNLBMZENCKAJN-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000571937445 430661674 /nfs/dbraw/zinc/66/16/74/430661674.db2.gz XJUVHNGGQFCNHE-IAGOWNOFSA-N 2 1 318.486 2.934 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1cccs1 ZINC000571937445 430661677 /nfs/dbraw/zinc/66/16/77/430661677.db2.gz XJUVHNGGQFCNHE-IAGOWNOFSA-N 2 1 318.486 2.934 20 0 DFADMP C([NH2+][C@H]1CCC12CCOCC2)C1([NH+]2CCCCC2)CCOCC1 ZINC000554559291 430644142 /nfs/dbraw/zinc/64/41/42/430644142.db2.gz IZRGEPMIUQTWSR-KRWDZBQOSA-N 2 1 322.493 2.570 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(C3CCC3)no2)CC1 ZINC000639553632 430670098 /nfs/dbraw/zinc/67/00/98/430670098.db2.gz FXEKIYPEDJULKR-UHFFFAOYSA-N 2 1 306.454 2.891 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@H]2CCc3ncnn32)cc1 ZINC000639567528 430672751 /nfs/dbraw/zinc/67/27/51/430672751.db2.gz SDDKLQKCQHGIMB-SUMWQHHRSA-N 2 1 322.416 2.610 20 0 DFADMP O=c1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cc[nH]1 ZINC000639615722 430681498 /nfs/dbraw/zinc/68/14/98/430681498.db2.gz RBCTYCCZKIPLSQ-UHFFFAOYSA-N 2 1 312.417 2.700 20 0 DFADMP c1cc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)c2c(c1)COCC2 ZINC000639615005 430681835 /nfs/dbraw/zinc/68/18/35/430681835.db2.gz HZVHAGPUTGYZCG-GOSISDBHSA-N 2 1 310.397 2.808 20 0 DFADMP COc1cccc(OCCC[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090060611 278018672 /nfs/dbraw/zinc/01/86/72/278018672.db2.gz APLAOMZAHAFQLF-VKJFTORMSA-N 2 1 306.450 2.782 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000192438322 278034302 /nfs/dbraw/zinc/03/43/02/278034302.db2.gz CSNRRSLVVGJJJL-INIZCTEOSA-N 2 1 300.446 2.769 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2sccc2C1 ZINC000177864208 278209724 /nfs/dbraw/zinc/20/97/24/278209724.db2.gz LNBXDCRPFTYRJH-SQWLQELKSA-N 2 1 307.507 2.567 20 0 DFADMP C[C@@H](CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000246985786 278233853 /nfs/dbraw/zinc/23/38/53/278233853.db2.gz JCHQXSFIESPDGQ-YQVWRLOYSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CCN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000246985786 278233855 /nfs/dbraw/zinc/23/38/55/278233855.db2.gz JCHQXSFIESPDGQ-YQVWRLOYSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H](CCN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000246985786 278233858 /nfs/dbraw/zinc/23/38/58/278233858.db2.gz JCHQXSFIESPDGQ-YQVWRLOYSA-N 2 1 303.494 2.969 20 0 DFADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000556875637 430695393 /nfs/dbraw/zinc/69/53/93/430695393.db2.gz AHQSZGZJJHOHAN-GUDVDZBRSA-N 2 1 301.478 2.975 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(F)cc3F)C2)CC[NH2+]1 ZINC000556942906 430696492 /nfs/dbraw/zinc/69/64/92/430696492.db2.gz RXCFILWZFGGWQN-IGCXYCKISA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(F)cc3F)C2)CC[NH2+]1 ZINC000556942906 430696493 /nfs/dbraw/zinc/69/64/93/430696493.db2.gz RXCFILWZFGGWQN-IGCXYCKISA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358250910 278296963 /nfs/dbraw/zinc/29/69/63/278296963.db2.gz LVGKKTZNKINTLC-NHYWBVRUSA-N 2 1 317.260 2.581 20 0 DFADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358250910 278296964 /nfs/dbraw/zinc/29/69/64/278296964.db2.gz LVGKKTZNKINTLC-NHYWBVRUSA-N 2 1 317.260 2.581 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000572896579 430698077 /nfs/dbraw/zinc/69/80/77/430698077.db2.gz WVQRWXALRIXDEL-FUHWJXTLSA-N 2 1 304.478 2.789 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274802301 278368776 /nfs/dbraw/zinc/36/87/76/278368776.db2.gz RLMUSIKGXREWJD-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)c1cnc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)s1 ZINC000657751768 430725074 /nfs/dbraw/zinc/72/50/74/430725074.db2.gz JZPWPCCBGRZDCR-CQSZACIVSA-N 2 1 309.479 2.609 20 0 DFADMP c1ccc(C2CC2)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657750122 430725228 /nfs/dbraw/zinc/72/52/28/430725228.db2.gz AMRWEEKUQYSTED-SFHVURJKSA-N 2 1 300.446 2.907 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000657751206 430725528 /nfs/dbraw/zinc/72/55/28/430725528.db2.gz HBCLPTYBNKOOAH-WZHGYECESA-N 2 1 322.399 2.821 20 0 DFADMP Fc1ccc(Cl)cc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657751332 430725726 /nfs/dbraw/zinc/72/57/26/430725726.db2.gz QFRYOFVZKLUNMU-HNNXBMFYSA-N 2 1 312.816 2.822 20 0 DFADMP c1cc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2cn1 ZINC000657751234 430725869 /nfs/dbraw/zinc/72/58/69/430725869.db2.gz HKHZCBDUNIFXAF-IBGZPJMESA-N 2 1 311.429 2.578 20 0 DFADMP Cc1cc(F)c(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(F)c1 ZINC000657751386 430726110 /nfs/dbraw/zinc/72/61/10/430726110.db2.gz HWXOYQNIZJAGSC-CQSZACIVSA-N 2 1 310.388 2.616 20 0 DFADMP CCOc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000657752593 430726613 /nfs/dbraw/zinc/72/66/13/430726613.db2.gz QKLGVNIAQBABOG-SFHVURJKSA-N 2 1 318.461 2.737 20 0 DFADMP CCc1nc(C)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000644447761 430734464 /nfs/dbraw/zinc/73/44/64/430734464.db2.gz XWYJHAKSJHVEEY-UHFFFAOYSA-N 2 1 317.433 2.776 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651210930 430737039 /nfs/dbraw/zinc/73/70/39/430737039.db2.gz ADTDTWGWXDDDHF-IEBWSBKVSA-N 2 1 324.472 2.909 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCCSCC1 ZINC000657822918 430746477 /nfs/dbraw/zinc/74/64/77/430746477.db2.gz DONYZAAPGCMXGO-GOSISDBHSA-N 2 1 320.502 2.894 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)CNCc1cc2ccccc2[nH]1 ZINC000644532034 430746657 /nfs/dbraw/zinc/74/66/57/430746657.db2.gz SSCGNWVSRWNVPK-LJQANCHMSA-N 2 1 323.440 2.750 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)CNCc1cc2ccccc2[nH]1 ZINC000644532034 430746662 /nfs/dbraw/zinc/74/66/62/430746662.db2.gz SSCGNWVSRWNVPK-LJQANCHMSA-N 2 1 323.440 2.750 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cc2ccncc2s1 ZINC000657844609 430752156 /nfs/dbraw/zinc/75/21/56/430752156.db2.gz IILTWUKHKIUBAJ-ZDUSSCGKSA-N 2 1 319.474 2.794 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)CC1 ZINC000657872492 430757615 /nfs/dbraw/zinc/75/76/15/430757615.db2.gz PTQZFYSQPMVXGQ-FGTMMUONSA-N 2 1 307.526 2.674 20 0 DFADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C(C)(C)C(F)F ZINC000657873277 430759485 /nfs/dbraw/zinc/75/94/85/430759485.db2.gz LJYPBKIXGRJWLC-ZDUSSCGKSA-N 2 1 304.425 2.901 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000644599730 430764755 /nfs/dbraw/zinc/76/47/55/430764755.db2.gz OMIPAKKDFYAIMI-OAQYLSRUSA-N 2 1 324.468 2.941 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CCc1ccc(-c2ccccc2)cc1)C1CC1 ZINC000644599730 430764758 /nfs/dbraw/zinc/76/47/58/430764758.db2.gz OMIPAKKDFYAIMI-OAQYLSRUSA-N 2 1 324.468 2.941 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000644606262 430767625 /nfs/dbraw/zinc/76/76/25/430767625.db2.gz VNZIINYESRRUAN-SFHVURJKSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000644606262 430767628 /nfs/dbraw/zinc/76/76/28/430767628.db2.gz VNZIINYESRRUAN-SFHVURJKSA-N 2 1 302.462 2.649 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCSCC2)C1 ZINC000657969743 430777174 /nfs/dbraw/zinc/77/71/74/430777174.db2.gz UJIYHMZTEVDLBP-ROUUACIJSA-N 2 1 320.502 2.629 20 0 DFADMP O[C@]12C[C@H]1C[N@@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000661721683 430819882 /nfs/dbraw/zinc/81/98/82/430819882.db2.gz VBJYRAYYSLKQLU-RBUKOAKNSA-N 2 1 300.446 2.629 20 0 DFADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)COCc1ccccc1 ZINC000658133378 430821059 /nfs/dbraw/zinc/82/10/59/430821059.db2.gz QNOWWNFDVPOYCN-BHIYHBOVSA-N 2 1 320.477 2.681 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cscn1 ZINC000658140048 430822447 /nfs/dbraw/zinc/82/24/47/430822447.db2.gz SFTUHUPLPVKNQZ-CZUORRHYSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cscn1 ZINC000658140048 430822450 /nfs/dbraw/zinc/82/24/50/430822450.db2.gz SFTUHUPLPVKNQZ-CZUORRHYSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155645 430825366 /nfs/dbraw/zinc/82/53/66/430825366.db2.gz QMTGOFQFLYLRGN-KANFNMMFSA-N 2 1 314.473 2.933 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CCO1 ZINC000648456329 430793373 /nfs/dbraw/zinc/79/33/73/430793373.db2.gz AASDEODUXMSYDJ-SJORKVTESA-N 2 1 324.509 2.957 20 0 DFADMP CC(=O)NCc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000658073805 430799267 /nfs/dbraw/zinc/79/92/67/430799267.db2.gz PNEGESXRGUDUGH-UHFFFAOYSA-N 2 1 317.477 2.675 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCO1 ZINC000648499217 430806710 /nfs/dbraw/zinc/80/67/10/430806710.db2.gz URPPFWNLCXRKAQ-DLBZAZTESA-N 2 1 318.465 2.609 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000648497747 430807849 /nfs/dbraw/zinc/80/78/49/430807849.db2.gz DKLYLMVLTAAPQX-SJORKVTESA-N 2 1 310.482 2.569 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665235510 430863355 /nfs/dbraw/zinc/86/33/55/430863355.db2.gz WSDPRHOQUIQICN-IIAWOOMASA-N 2 1 307.869 2.754 20 0 DFADMP COC[C@H]([NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCOCC1 ZINC000665237030 430863514 /nfs/dbraw/zinc/86/35/14/430863514.db2.gz YOXQYBPBUKQDDA-FHWLQOOXSA-N 2 1 318.461 2.511 20 0 DFADMP C[C@H]([NH2+]C[C@@H](OC1CCCC1)C(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665237415 430863540 /nfs/dbraw/zinc/86/35/40/430863540.db2.gz AIXDYWJVHQZDQX-OUCADQQQSA-N 2 1 308.388 2.854 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)on1 ZINC000665299304 430889343 /nfs/dbraw/zinc/88/93/43/430889343.db2.gz KDSVRVSFYLUBSA-ZIAGYGMSSA-N 2 1 315.417 2.828 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCOC1 ZINC000665253939 430870615 /nfs/dbraw/zinc/87/06/15/430870615.db2.gz CWQAQCNYOZJWBN-NRSFXHEJSA-N 2 1 306.425 2.676 20 0 DFADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC[C@@H](OC)C2)cc1 ZINC000665256016 430872865 /nfs/dbraw/zinc/87/28/65/430872865.db2.gz LPLLVRFMJMKYJH-JCHJZTRSSA-N 2 1 318.461 2.688 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@@H]2C[C@@H]2C)cc1F ZINC000665259767 430872966 /nfs/dbraw/zinc/87/29/66/430872966.db2.gz PEJKWMQTDIPUPW-FJSLXNCJSA-N 2 1 306.425 2.914 20 0 DFADMP Brc1ccc(CC2(C[NH2+][C@H]3CC[NH2+]C3)CC2)cc1 ZINC000665264716 430873976 /nfs/dbraw/zinc/87/39/76/430873976.db2.gz GTPDEJPJXUCGSD-AWEZNQCLSA-N 2 1 309.251 2.723 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)on2)cc1 ZINC000665261738 430874542 /nfs/dbraw/zinc/87/45/42/430874542.db2.gz KFUFOGJFINKXCZ-HIFRSBDPSA-N 2 1 315.417 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc3c2CCC3)CCCO1 ZINC000651786401 430875960 /nfs/dbraw/zinc/87/59/60/430875960.db2.gz WAIKSOGPEJQZGE-MRXNPFEDSA-N 2 1 302.462 2.766 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)C1 ZINC000665273907 430878815 /nfs/dbraw/zinc/87/88/15/430878815.db2.gz GNCYBXRQXVMJIZ-QXAKKESOSA-N 2 1 317.477 2.562 20 0 DFADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000665274777 430879308 /nfs/dbraw/zinc/87/93/08/430879308.db2.gz YHTFCMGPBUQEMZ-NNIGNNQHSA-N 2 1 300.446 2.679 20 0 DFADMP OCC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658357259 430885095 /nfs/dbraw/zinc/88/50/95/430885095.db2.gz UCFHRNNTWGQBQZ-UDFCRJRASA-N 2 1 300.446 2.543 20 0 DFADMP C[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000665290746 430886310 /nfs/dbraw/zinc/88/63/10/430886310.db2.gz JPKOJVALUMJSFR-GFCCVEGCSA-N 2 1 314.433 2.789 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665291063 430887632 /nfs/dbraw/zinc/88/76/32/430887632.db2.gz SVYFGCDYBMEOSG-ZDUSSCGKSA-N 2 1 314.433 2.690 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](c3ccccc3)CO2)[C@H](C)C1 ZINC000658205991 430841116 /nfs/dbraw/zinc/84/11/16/430841116.db2.gz GFJBAORYEQCZDP-BVBHFADKSA-N 2 1 302.462 2.879 20 0 DFADMP C[C@H](N)[C@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300124 430891291 /nfs/dbraw/zinc/89/12/91/430891291.db2.gz YRVNIGBYCPRSMB-JXFKEZNVSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299840 430891771 /nfs/dbraw/zinc/89/17/71/430891771.db2.gz UHHMQODAKORSBP-VDGAXYAQSA-N 2 1 315.505 2.657 20 0 DFADMP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)C1CCCCC1 ZINC000645095050 430900683 /nfs/dbraw/zinc/90/06/83/430900683.db2.gz QXJPJULBVBQHHU-PKOBYXMFSA-N 2 1 307.526 2.915 20 0 DFADMP CC[C@H]1COC(C)(C)C[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000651911917 430911941 /nfs/dbraw/zinc/91/19/41/430911941.db2.gz CRSMMQREUZOTJV-INIZCTEOSA-N 2 1 314.433 2.965 20 0 DFADMP CC[C@H]1COC(C)(C)C[N@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000651911917 430911945 /nfs/dbraw/zinc/91/19/45/430911945.db2.gz CRSMMQREUZOTJV-INIZCTEOSA-N 2 1 314.433 2.965 20 0 DFADMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1conc1Cc1ccccc1)C2 ZINC000645151199 430916116 /nfs/dbraw/zinc/91/61/16/430916116.db2.gz BCPMGGPFNQQYID-INIZCTEOSA-N 2 1 308.385 2.567 20 0 DFADMP C[NH+](C)CCOc1ccc(CNCC[N@H+]2CCCC2(C)C)cc1 ZINC000648870667 430922019 /nfs/dbraw/zinc/92/20/19/430922019.db2.gz FDULIWMKGCSZOA-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+]CCN2CCCC2(C)C)cc1 ZINC000648870667 430922024 /nfs/dbraw/zinc/92/20/24/430922024.db2.gz FDULIWMKGCSZOA-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000648881551 430923580 /nfs/dbraw/zinc/92/35/80/430923580.db2.gz DXUWJALGUCVIPH-HNNXBMFYSA-N 2 1 320.481 2.635 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000648881551 430923587 /nfs/dbraw/zinc/92/35/87/430923587.db2.gz DXUWJALGUCVIPH-HNNXBMFYSA-N 2 1 320.481 2.635 20 0 DFADMP CC1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000662131879 430971478 /nfs/dbraw/zinc/97/14/78/430971478.db2.gz VWZOCZMBJDIZKR-DQXYTYHJSA-N 2 1 302.462 2.742 20 0 DFADMP CC1C[C@H]2CC[C@@H](C1)[N@@H+]2C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000662131879 430971480 /nfs/dbraw/zinc/97/14/80/430971480.db2.gz VWZOCZMBJDIZKR-DQXYTYHJSA-N 2 1 302.462 2.742 20 0 DFADMP CC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000662131879 430971483 /nfs/dbraw/zinc/97/14/83/430971483.db2.gz VWZOCZMBJDIZKR-DQXYTYHJSA-N 2 1 302.462 2.742 20 0 DFADMP CC1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000662131879 430971486 /nfs/dbraw/zinc/97/14/86/430971486.db2.gz VWZOCZMBJDIZKR-DQXYTYHJSA-N 2 1 302.462 2.742 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655351760 430974360 /nfs/dbraw/zinc/97/43/60/430974360.db2.gz SKAXNHHLLWHSCY-OWCLPIDISA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655351760 430974365 /nfs/dbraw/zinc/97/43/65/430974365.db2.gz SKAXNHHLLWHSCY-OWCLPIDISA-N 2 1 318.465 2.530 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN([C@H]3CCc4c3cccc4Cl)CC2)C1 ZINC000662154071 430979729 /nfs/dbraw/zinc/97/97/29/430979729.db2.gz WDEXUABVTTXNJO-KSSFIOAISA-N 2 1 320.864 2.858 20 0 DFADMP CN(C)c1cc(NC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc[nH+]1 ZINC000659285645 431011563 /nfs/dbraw/zinc/01/15/63/431011563.db2.gz PIGUUSZLHQJZLQ-OAHLLOKOSA-N 2 1 324.428 2.779 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1ccc(F)cc1F ZINC000662165163 430986741 /nfs/dbraw/zinc/98/67/41/430986741.db2.gz LUMOPFDLUFZLOH-INIZCTEOSA-N 2 1 309.360 2.573 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)CC[C@@H]1CCC[NH+]1C ZINC000662205541 430998095 /nfs/dbraw/zinc/99/80/95/430998095.db2.gz PWVHNFGVTHEZLP-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP CC[NH+](CCOc1ccccc1OC)CC[C@@H]1CCC[N@@H+]1C ZINC000662205541 430998099 /nfs/dbraw/zinc/99/80/99/430998099.db2.gz PWVHNFGVTHEZLP-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP CC[NH+](CCOc1ccccc1OC)CC[C@@H]1CCC[N@H+]1C ZINC000662205541 430998102 /nfs/dbraw/zinc/99/81/02/430998102.db2.gz PWVHNFGVTHEZLP-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP CC1(C)CO[C@H](c2cccc(F)c2)C[N@H+]1CC1CC[NH2+]CC1 ZINC000662222063 431004009 /nfs/dbraw/zinc/00/40/09/431004009.db2.gz DWWLYFXYKNULTN-KRWDZBQOSA-N 2 1 306.425 2.977 20 0 DFADMP CCCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@@H+](C)C1 ZINC000649001599 430969407 /nfs/dbraw/zinc/96/94/07/430969407.db2.gz PPIQDYDSDLWLMI-HNNXBMFYSA-N 2 1 321.465 2.678 20 0 DFADMP Cc1ccc([C@H]2CSCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256281 431019610 /nfs/dbraw/zinc/01/96/10/431019610.db2.gz UUNLQYCBXVKKRY-IAGOWNOFSA-N 2 1 318.486 2.606 20 0 DFADMP C[C@]1(CCc2ccccc2)CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662257689 431020324 /nfs/dbraw/zinc/02/03/24/431020324.db2.gz RMGFDLPMXOZMES-OALUTQOASA-N 2 1 314.473 2.852 20 0 DFADMP CO[C@@H](C[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264842 431020767 /nfs/dbraw/zinc/02/07/67/431020767.db2.gz SPAAUSDKYOBMRF-OALUTQOASA-N 2 1 317.477 2.841 20 0 DFADMP CO[C@@H](C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264842 431020769 /nfs/dbraw/zinc/02/07/69/431020769.db2.gz SPAAUSDKYOBMRF-OALUTQOASA-N 2 1 317.477 2.841 20 0 DFADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262045 431020803 /nfs/dbraw/zinc/02/08/03/431020803.db2.gz DATFCFLYKRJOHE-STQMWFEESA-N 2 1 309.479 2.528 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263569 431020881 /nfs/dbraw/zinc/02/08/81/431020881.db2.gz NKPDAJMHOURFGK-QAPCUYQASA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263569 431020886 /nfs/dbraw/zinc/02/08/86/431020886.db2.gz NKPDAJMHOURFGK-QAPCUYQASA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263569 431020888 /nfs/dbraw/zinc/02/08/88/431020888.db2.gz NKPDAJMHOURFGK-QAPCUYQASA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263569 431020892 /nfs/dbraw/zinc/02/08/92/431020892.db2.gz NKPDAJMHOURFGK-QAPCUYQASA-N 2 1 301.478 2.637 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cccc3c2CC[NH2+]C3)C[C@H]1C ZINC000662263569 431020896 /nfs/dbraw/zinc/02/08/96/431020896.db2.gz NKPDAJMHOURFGK-QAPCUYQASA-N 2 1 301.478 2.637 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662261398 431022266 /nfs/dbraw/zinc/02/22/66/431022266.db2.gz XIVSBFHLMLLTMY-UHFFFAOYSA-N 3 1 315.505 2.885 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H]3CCC[NH2+]C3)C1)C[NH2+]CC2 ZINC000652340858 431024592 /nfs/dbraw/zinc/02/45/92/431024592.db2.gz JRSYSIYUVVZUIX-MOPGFXCFSA-N 3 1 313.489 2.544 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@]3(CCCOC3)C1)C[NH2+]CC2 ZINC000652338165 431025539 /nfs/dbraw/zinc/02/55/39/431025539.db2.gz HGWQOKXFBCCEPZ-LJQANCHMSA-N 2 1 300.446 2.725 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c2c(c1)C[NH2+]CC2 ZINC000662273009 431026451 /nfs/dbraw/zinc/02/64/51/431026451.db2.gz JIXQEHZJPAIESW-SJLPKXTDSA-N 3 1 313.489 2.544 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCc2nc3ccccc3n2C)[C@H]1CC[NH3+] ZINC000652355577 431030127 /nfs/dbraw/zinc/03/01/27/431030127.db2.gz ADDFVIUEXAVRQP-ZBFHGGJFSA-N 2 1 300.450 2.565 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000645550999 431031080 /nfs/dbraw/zinc/03/10/80/431031080.db2.gz CGMGGVMORNYBPO-PBHICJAKSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@H]1CC[N@H+](CCSc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000662284778 431033376 /nfs/dbraw/zinc/03/33/76/431033376.db2.gz ZRXYJTHMDTXEIH-NWDGAFQWSA-N 2 1 300.418 2.974 20 0 DFADMP C[C@H]1CC[N@@H+](CCSc2ccc(F)cc2F)C[C@H]1C[NH3+] ZINC000662284778 431033379 /nfs/dbraw/zinc/03/33/79/431033379.db2.gz ZRXYJTHMDTXEIH-NWDGAFQWSA-N 2 1 300.418 2.974 20 0 DFADMP CC1(C)CCCC[C@H]1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662280079 431033559 /nfs/dbraw/zinc/03/35/59/431033559.db2.gz CFQJDJBJRFNDQL-GOEBONIOSA-N 2 1 305.470 2.590 20 0 DFADMP CCO[C@@H]1C[N@@H+](CCSc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000662286120 431034726 /nfs/dbraw/zinc/03/47/26/431034726.db2.gz OHAPQVNUUYANOP-IUODEOHRSA-N 2 1 314.882 2.728 20 0 DFADMP CC(C)c1noc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291603 431035352 /nfs/dbraw/zinc/03/53/52/431035352.db2.gz JAAUQGSYWJRKLG-UKRRQHHQSA-N 2 1 306.454 2.966 20 0 DFADMP Cc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662290368 431035768 /nfs/dbraw/zinc/03/57/68/431035768.db2.gz RNTKXYRLUWGUFM-QGZVFWFLSA-N 2 1 315.461 2.645 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1)C1CCCCC1 ZINC000662285075 431035914 /nfs/dbraw/zinc/03/59/14/431035914.db2.gz WEMNTHOCXBOAEQ-NCXUSEDFSA-N 2 1 324.509 2.943 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000662284924 431035944 /nfs/dbraw/zinc/03/59/44/431035944.db2.gz QYTLDDHIOKDSGE-AWEZNQCLSA-N 2 1 300.406 2.643 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](c3ccccc3)C2)n1 ZINC000662284924 431035947 /nfs/dbraw/zinc/03/59/47/431035947.db2.gz QYTLDDHIOKDSGE-AWEZNQCLSA-N 2 1 300.406 2.643 20 0 DFADMP Cc1ccc2nc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000662295563 431036997 /nfs/dbraw/zinc/03/69/97/431036997.db2.gz VEWJONXAYMXJSO-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296218 431037598 /nfs/dbraw/zinc/03/75/98/431037598.db2.gz YGRGVGCPVMZSTD-KRWDZBQOSA-N 2 1 315.461 2.645 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662296378 431038882 /nfs/dbraw/zinc/03/88/82/431038882.db2.gz ZTDQQYUAFRVTEA-KRWDZBQOSA-N 2 1 315.461 2.645 20 0 DFADMP C(c1noc2c1CCCC2)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298967 431039170 /nfs/dbraw/zinc/03/91/70/431039170.db2.gz YVLZCVULDHUPJF-OAHLLOKOSA-N 2 1 303.450 2.765 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662312900 431041254 /nfs/dbraw/zinc/04/12/54/431041254.db2.gz ACLMLWXFKWXHBH-CRAIPNDOSA-N 2 1 306.450 2.913 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)CC2CCCCC2)[C@@H]1CCC[NH3+] ZINC000662316368 431043986 /nfs/dbraw/zinc/04/39/86/431043986.db2.gz WCVPVIAIMYXFMK-SJLPKXTDSA-N 2 1 323.525 2.865 20 0 DFADMP COc1ccc([C@@H](C)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325069 431045916 /nfs/dbraw/zinc/04/59/16/431045916.db2.gz BLWLLUGAZBGMOF-QFBILLFUSA-N 2 1 320.477 2.841 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cc3ccccc3o2)CCO1 ZINC000662320480 431046321 /nfs/dbraw/zinc/04/63/21/431046321.db2.gz GNMFZTMRDIYMMF-INIZCTEOSA-N 2 1 302.418 2.975 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cc3ccccc3o2)CCO1 ZINC000662320480 431046325 /nfs/dbraw/zinc/04/63/25/431046325.db2.gz GNMFZTMRDIYMMF-INIZCTEOSA-N 2 1 302.418 2.975 20 0 DFADMP CSc1ccccc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325626 431047646 /nfs/dbraw/zinc/04/76/46/431047646.db2.gz OGZNHFXQJLSATC-INIZCTEOSA-N 2 1 308.491 2.951 20 0 DFADMP CSc1ccccc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325626 431047651 /nfs/dbraw/zinc/04/76/51/431047651.db2.gz OGZNHFXQJLSATC-INIZCTEOSA-N 2 1 308.491 2.951 20 0 DFADMP Cc1cc(C)cc(OCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662320143 431048008 /nfs/dbraw/zinc/04/80/08/431048008.db2.gz RSELVYILJJBMFA-GOSISDBHSA-N 2 1 320.477 2.725 20 0 DFADMP Cc1cc(C)cc(OCC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662320143 431048012 /nfs/dbraw/zinc/04/80/12/431048012.db2.gz RSELVYILJJBMFA-GOSISDBHSA-N 2 1 320.477 2.725 20 0 DFADMP CCc1cc(N[C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)cc[nH+]1 ZINC000649269574 431051630 /nfs/dbraw/zinc/05/16/30/431051630.db2.gz JLVFBPNVJUKXCF-KRWDZBQOSA-N 2 1 311.433 2.554 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000662352421 431055457 /nfs/dbraw/zinc/05/54/57/431055457.db2.gz VBRHFPCARVOMLH-MAUKXSAKSA-N 2 1 315.461 2.602 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000649294022 431058214 /nfs/dbraw/zinc/05/82/14/431058214.db2.gz ZKZJGYCIUOPDPG-MRXNPFEDSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649306722 431063554 /nfs/dbraw/zinc/06/35/54/431063554.db2.gz LHUWHAJYJLRCKK-DVOMOZLQSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649306722 431063559 /nfs/dbraw/zinc/06/35/59/431063559.db2.gz LHUWHAJYJLRCKK-DVOMOZLQSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000649309944 431063707 /nfs/dbraw/zinc/06/37/07/431063707.db2.gz LPAFZZSGEHZLGW-CJNGLKHVSA-N 2 1 323.868 2.576 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000652300577 431013972 /nfs/dbraw/zinc/01/39/72/431013972.db2.gz HBIJYNNXSVQCBM-WJFTUGDTSA-N 2 1 320.452 2.740 20 0 DFADMP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H](CCO)c1ccccc1 ZINC000662254748 431014637 /nfs/dbraw/zinc/01/46/37/431014637.db2.gz KYQBSLVLLMBBNE-FQEVSTJZSA-N 2 1 310.441 2.888 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)C12CCCCC2 ZINC000662255712 431016283 /nfs/dbraw/zinc/01/62/83/431016283.db2.gz DPZQMHRLBWTBNX-GVDBMIGSSA-N 2 1 322.493 2.567 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666084632 431110123 /nfs/dbraw/zinc/11/01/23/431110123.db2.gz PMASTWFJWBZQII-INIZCTEOSA-N 2 1 322.880 2.898 20 0 DFADMP FC(F)c1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655754598 431116210 /nfs/dbraw/zinc/11/62/10/431116210.db2.gz GCZHKYODFBFQJG-MRXNPFEDSA-N 2 1 310.388 2.967 20 0 DFADMP COCCC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)CCCCC1 ZINC000655755695 431117315 /nfs/dbraw/zinc/11/73/15/431117315.db2.gz IIRPBUAJRSUGSA-SFHVURJKSA-N 2 1 324.509 2.816 20 0 DFADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655756743 431118348 /nfs/dbraw/zinc/11/83/48/431118348.db2.gz XFGQOMDJYAZWRW-QYZOEREBSA-N 2 1 324.509 2.813 20 0 DFADMP C[C@](O)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655760200 431118733 /nfs/dbraw/zinc/11/87/33/431118733.db2.gz MNVNRQQZBUUCTR-OALUTQOASA-N 2 1 324.509 2.551 20 0 DFADMP Fc1ccccc1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655764993 431126567 /nfs/dbraw/zinc/12/65/67/431126567.db2.gz WRMCWFUXJTTXPA-SFHVURJKSA-N 2 1 320.452 2.991 20 0 DFADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@H]1CCC2(CCCCC2)O1 ZINC000655760483 431120682 /nfs/dbraw/zinc/12/06/82/431120682.db2.gz RELUEOYIZDCHJR-QZTJIDSGSA-N 2 1 322.493 2.711 20 0 DFADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@H]1CCC2(CCCCC2)O1 ZINC000655760485 431121693 /nfs/dbraw/zinc/12/16/93/431121693.db2.gz RELUEOYIZDCHJR-ZWKOTPCHSA-N 2 1 322.493 2.711 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000649341722 431070864 /nfs/dbraw/zinc/07/08/64/431070864.db2.gz SRDIMVANPHASCA-GVDBMIGSSA-N 2 1 309.498 2.617 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCC[C@@H]3CCOC3)C2)c1 ZINC000645800783 431076919 /nfs/dbraw/zinc/07/69/19/431076919.db2.gz WAHBMKIIPYMQAV-IAGOWNOFSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C2)c1 ZINC000645800783 431076922 /nfs/dbraw/zinc/07/69/22/431076922.db2.gz WAHBMKIIPYMQAV-IAGOWNOFSA-N 2 1 303.450 2.941 20 0 DFADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655686568 431082574 /nfs/dbraw/zinc/08/25/74/431082574.db2.gz LDRAVBOYFCJGJV-GOSISDBHSA-N 2 1 300.446 2.561 20 0 DFADMP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CS1 ZINC000655683897 431082812 /nfs/dbraw/zinc/08/28/12/431082812.db2.gz XCPUSCKPXHDIPI-YJBOKZPZSA-N 2 1 320.502 2.893 20 0 DFADMP CC(C)Oc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655695233 431084220 /nfs/dbraw/zinc/08/42/20/431084220.db2.gz UXNGSFGKQFYSMI-SFHVURJKSA-N 2 1 318.461 2.817 20 0 DFADMP Cc1cccc(OCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655699615 431086464 /nfs/dbraw/zinc/08/64/64/431086464.db2.gz FEMGGODHUNNNJG-IBGZPJMESA-N 2 1 318.461 2.607 20 0 DFADMP Cc1cccc(OCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655699616 431087931 /nfs/dbraw/zinc/08/79/31/431087931.db2.gz FEMGGODHUNNNJG-LJQANCHMSA-N 2 1 318.461 2.607 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655696944 431088067 /nfs/dbraw/zinc/08/80/67/431088067.db2.gz CUVUJSMSWBLPBT-OALUTQOASA-N 2 1 318.461 2.607 20 0 DFADMP c1cnc2ccc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)cc2c1 ZINC000655764980 431125665 /nfs/dbraw/zinc/12/56/65/431125665.db2.gz WKFPFWGJLNPAAD-GOSISDBHSA-N 2 1 311.429 2.578 20 0 DFADMP Fc1ccccc1CCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655764263 431125683 /nfs/dbraw/zinc/12/56/83/431125683.db2.gz FPPJXFGXIORPER-KRWDZBQOSA-N 2 1 306.425 2.601 20 0 DFADMP Cc1ccccc1CN1CCC[N@@H+](CCC2CC[NH2+]CC2)CC1 ZINC000649411588 431092583 /nfs/dbraw/zinc/09/25/83/431092583.db2.gz JDAYMPXAVWMDGP-UHFFFAOYSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000649411588 431092586 /nfs/dbraw/zinc/09/25/86/431092586.db2.gz JDAYMPXAVWMDGP-UHFFFAOYSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(CCC2CC[NH2+]CC2)CC1 ZINC000649411588 431092589 /nfs/dbraw/zinc/09/25/89/431092589.db2.gz JDAYMPXAVWMDGP-UHFFFAOYSA-N 2 1 315.505 2.892 20 0 DFADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000649413891 431092906 /nfs/dbraw/zinc/09/29/06/431092906.db2.gz PUNWKKWCCNCJLL-LJQANCHMSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCC2CC[NH2+]CC2)n1 ZINC000649413094 431092981 /nfs/dbraw/zinc/09/29/81/431092981.db2.gz LGKPHXHTWATAQG-SFHVURJKSA-N 2 1 304.482 2.744 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H](C)SC3)CC2)nc(C)[nH+]1 ZINC000655720880 431098653 /nfs/dbraw/zinc/09/86/53/431098653.db2.gz IGXWSPGPHDHSOO-CZUORRHYSA-N 2 1 320.506 2.936 20 0 DFADMP C[C@H](CCc1cccn1C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655718878 431099210 /nfs/dbraw/zinc/09/92/10/431099210.db2.gz FKSFBPGQZDKGIW-APWZRJJASA-N 2 1 319.493 2.579 20 0 DFADMP C(COC1CCCCCC1)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655725850 431102007 /nfs/dbraw/zinc/10/20/07/431102007.db2.gz MZTHLRJOBFVTST-QGZVFWFLSA-N 2 1 310.482 2.569 20 0 DFADMP c1ccc2c(c1)CC[C@@H](C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000655729466 431103480 /nfs/dbraw/zinc/10/34/80/431103480.db2.gz HHCIKSMXAGDOSQ-UZLBHIALSA-N 2 1 314.473 2.634 20 0 DFADMP c1ccc(C[C@@H]2C[C@@H]2[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655731263 431105933 /nfs/dbraw/zinc/10/59/33/431105933.db2.gz WGFXRVYJJXYNGJ-HOJAQTOUSA-N 2 1 314.473 2.851 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCCO1 ZINC000655733396 431106469 /nfs/dbraw/zinc/10/64/69/431106469.db2.gz MXHDSDRHRBYETJ-MSOLQXFVSA-N 2 1 324.509 2.815 20 0 DFADMP c1cncc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C2CC2)c1 ZINC000655737981 431108296 /nfs/dbraw/zinc/10/82/96/431108296.db2.gz SNVVRHQPYRUCEA-RTBURBONSA-N 2 1 315.461 2.766 20 0 DFADMP CCc1cc(CCC[N@@H+](C)C[C@H]2CCc3nccn3C2)on1 ZINC000649460613 431108324 /nfs/dbraw/zinc/10/83/24/431108324.db2.gz AYEJRPAMXZYUMS-CQSZACIVSA-N 2 1 302.422 2.561 20 0 DFADMP CCc1cc(CCC[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)on1 ZINC000649460613 431108327 /nfs/dbraw/zinc/10/83/27/431108327.db2.gz AYEJRPAMXZYUMS-CQSZACIVSA-N 2 1 302.422 2.561 20 0 DFADMP CCc1cc(CCC[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)on1 ZINC000649460613 431108333 /nfs/dbraw/zinc/10/83/33/431108333.db2.gz AYEJRPAMXZYUMS-CQSZACIVSA-N 2 1 302.422 2.561 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460710 431108497 /nfs/dbraw/zinc/10/84/97/431108497.db2.gz VRKRJYMDWOYUPH-ROUUACIJSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000649460710 431108501 /nfs/dbraw/zinc/10/85/01/431108501.db2.gz VRKRJYMDWOYUPH-ROUUACIJSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000649460710 431108506 /nfs/dbraw/zinc/10/85/06/431108506.db2.gz VRKRJYMDWOYUPH-ROUUACIJSA-N 2 1 313.445 2.635 20 0 DFADMP C[C@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[C@@H]([NH3+])c1ccccc1 ZINC000662594082 431127993 /nfs/dbraw/zinc/12/79/93/431127993.db2.gz RJIMPXPNYQARDD-YQQAZPJKSA-N 2 1 317.477 2.559 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000372803492 279092891 /nfs/dbraw/zinc/09/28/91/279092891.db2.gz DAMHSVSDPJLHMK-UHFFFAOYSA-N 3 1 318.509 2.962 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCc2nc(C(C)(C)C)cn2C1 ZINC000360942391 288105638 /nfs/dbraw/zinc/10/56/38/288105638.db2.gz OWCQHUHOUHXSNJ-WCVJEAGWSA-N 2 1 318.509 2.814 20 0 DFADMP CC(C)[C@@H]1C[C@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655773057 431131979 /nfs/dbraw/zinc/13/19/79/431131979.db2.gz WYMUWNWXCLDFRV-QRQLOZEOSA-N 2 1 324.509 2.671 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC12CCSCC2 ZINC000655776592 431132494 /nfs/dbraw/zinc/13/24/94/431132494.db2.gz JPERHWCSWNRCRH-WBVHZDCISA-N 2 1 324.534 2.753 20 0 DFADMP CCO[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655775054 431132672 /nfs/dbraw/zinc/13/26/72/431132672.db2.gz NSZLUTRSHLDURV-RCCFBDPRSA-N 2 1 310.482 2.567 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000655777580 431132704 /nfs/dbraw/zinc/13/27/04/431132704.db2.gz WWSBOEKJYHRRFM-ZDUSSCGKSA-N 2 1 304.413 2.607 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@@H+](CC)CC2)cc1 ZINC000263762717 279136471 /nfs/dbraw/zinc/13/64/71/279136471.db2.gz ZGOHMIAWVZJOLV-UHFFFAOYSA-N 2 1 317.477 2.696 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000104832260 279141468 /nfs/dbraw/zinc/14/14/68/279141468.db2.gz DCCRYVVQHDAINL-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H](C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253550192 279229677 /nfs/dbraw/zinc/22/96/77/279229677.db2.gz OAWMSBUWOXVCNZ-KYHPRHEASA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253550192 279229681 /nfs/dbraw/zinc/22/96/81/279229681.db2.gz OAWMSBUWOXVCNZ-KYHPRHEASA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253550192 279229682 /nfs/dbraw/zinc/22/96/82/279229682.db2.gz OAWMSBUWOXVCNZ-KYHPRHEASA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253550191 279233241 /nfs/dbraw/zinc/23/32/41/279233241.db2.gz OAWMSBUWOXVCNZ-HPFXQQBRSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253550191 279233243 /nfs/dbraw/zinc/23/32/43/279233243.db2.gz OAWMSBUWOXVCNZ-HPFXQQBRSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000253550191 279233245 /nfs/dbraw/zinc/23/32/45/279233245.db2.gz OAWMSBUWOXVCNZ-HPFXQQBRSA-N 2 1 321.509 2.628 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000645986417 431138834 /nfs/dbraw/zinc/13/88/34/431138834.db2.gz OEEFVJTXCMYLAO-IBGZPJMESA-N 2 1 313.445 2.855 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CCC1 ZINC000645986417 431138839 /nfs/dbraw/zinc/13/88/39/431138839.db2.gz OEEFVJTXCMYLAO-IBGZPJMESA-N 2 1 313.445 2.855 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000293351967 279350017 /nfs/dbraw/zinc/35/00/17/279350017.db2.gz HACBNOZELXMTAF-ZHALLVOQSA-N 2 1 303.494 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000293351967 279350018 /nfs/dbraw/zinc/35/00/18/279350018.db2.gz HACBNOZELXMTAF-ZHALLVOQSA-N 3 1 303.494 2.684 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C[NH+](C)C ZINC000293351967 279350019 /nfs/dbraw/zinc/35/00/19/279350019.db2.gz HACBNOZELXMTAF-ZHALLVOQSA-N 3 1 303.494 2.684 20 0 DFADMP COCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000655817466 431165864 /nfs/dbraw/zinc/16/58/64/431165864.db2.gz LDIMCCWHCBPYCI-UHFFFAOYSA-N 2 1 302.462 2.710 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000646071434 431168222 /nfs/dbraw/zinc/16/82/22/431168222.db2.gz HQBHNMSNWYXUNT-VBQJREDUSA-N 2 1 323.506 2.621 20 0 DFADMP CC[C@H]1CN(C[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649586103 431175924 /nfs/dbraw/zinc/17/59/24/431175924.db2.gz SBDCNGUQKXQYTB-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649586103 431175931 /nfs/dbraw/zinc/17/59/31/431175931.db2.gz SBDCNGUQKXQYTB-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649586103 431175935 /nfs/dbraw/zinc/17/59/35/431175935.db2.gz SBDCNGUQKXQYTB-OALUTQOASA-N 2 1 301.478 2.677 20 0 DFADMP CC[C@@H](CC(F)F)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000659908407 431183232 /nfs/dbraw/zinc/18/32/32/431183232.db2.gz FGMXIVFEQAISKR-JKSUJKDBSA-N 2 1 317.468 2.770 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1cccc(Cl)c1)CCO2 ZINC000646102433 431189663 /nfs/dbraw/zinc/18/96/63/431189663.db2.gz JRUBYGKMHQLJOA-UHFFFAOYSA-N 2 1 324.852 2.515 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1cccc(Cl)c1)CCO2 ZINC000646102433 431189672 /nfs/dbraw/zinc/18/96/72/431189672.db2.gz JRUBYGKMHQLJOA-UHFFFAOYSA-N 2 1 324.852 2.515 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@@H]3CCCOC3)C2)s1 ZINC000649603487 431191647 /nfs/dbraw/zinc/19/16/47/431191647.db2.gz OWANMJRLQYUEQF-HZPDHXFCSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@@H]3CCCOC3)C2)s1 ZINC000649603487 431191653 /nfs/dbraw/zinc/19/16/53/431191653.db2.gz OWANMJRLQYUEQF-HZPDHXFCSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@@H]3CCCOC3)C2)s1 ZINC000649603487 431191659 /nfs/dbraw/zinc/19/16/59/431191659.db2.gz OWANMJRLQYUEQF-HZPDHXFCSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@@H]3CCCOC3)C2)s1 ZINC000649603487 431191663 /nfs/dbraw/zinc/19/16/63/431191663.db2.gz OWANMJRLQYUEQF-HZPDHXFCSA-N 2 1 308.491 2.989 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1)[C@H]1CCOC1 ZINC000659928711 431193372 /nfs/dbraw/zinc/19/33/72/431193372.db2.gz LQMJBNKHUGAXMK-YDZRNGNQSA-N 2 1 324.509 2.624 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1)[C@H]1CCOC1 ZINC000659928711 431193380 /nfs/dbraw/zinc/19/33/80/431193380.db2.gz LQMJBNKHUGAXMK-YDZRNGNQSA-N 2 1 324.509 2.624 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[C@H]1CCOC1 ZINC000659928711 431193389 /nfs/dbraw/zinc/19/33/89/431193389.db2.gz LQMJBNKHUGAXMK-YDZRNGNQSA-N 2 1 324.509 2.624 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1cccc2c1C[NH2+]C2 ZINC000662788742 431195916 /nfs/dbraw/zinc/19/59/16/431195916.db2.gz SROYPLYXZAZQAE-UHFFFAOYSA-N 2 1 315.461 2.626 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H]1CCC[NH+]1C ZINC000649539146 431149198 /nfs/dbraw/zinc/14/91/98/431149198.db2.gz LCOQLXHGVWIZBF-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C[C@@H]1CCC[N@@H+]1C ZINC000649539146 431149204 /nfs/dbraw/zinc/14/92/04/431149204.db2.gz LCOQLXHGVWIZBF-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CCCN1C[C@@H]1CCC[N@H+]1C ZINC000649539146 431149206 /nfs/dbraw/zinc/14/92/06/431149206.db2.gz LCOQLXHGVWIZBF-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667447 431158325 /nfs/dbraw/zinc/15/83/25/431158325.db2.gz AVKBSQAZZXSEJL-BPQIPLTHSA-N 2 1 321.509 2.807 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC2(F)F)[C@@H](C)C1 ZINC000666228926 431158556 /nfs/dbraw/zinc/15/85/56/431158556.db2.gz ZJUKJLKWKADNIC-XGUBFFRZSA-N 2 1 304.425 2.757 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)CC2([NH3+])CC2)cc1 ZINC000662676167 431158671 /nfs/dbraw/zinc/15/86/71/431158671.db2.gz SPPPUAUNZFDQON-HNNXBMFYSA-N 2 1 315.461 2.559 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H](C[NH+](C)CC3CC3)C2)C1 ZINC000659978046 431219385 /nfs/dbraw/zinc/21/93/85/431219385.db2.gz KPNYWIPBDKZFRB-SCTDSRPQSA-N 2 1 307.526 2.628 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H](C[N@H+](C)CC3CC3)C2)C1 ZINC000659978046 431219389 /nfs/dbraw/zinc/21/93/89/431219389.db2.gz KPNYWIPBDKZFRB-SCTDSRPQSA-N 2 1 307.526 2.628 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)C1 ZINC000659978046 431219397 /nfs/dbraw/zinc/21/93/97/431219397.db2.gz KPNYWIPBDKZFRB-SCTDSRPQSA-N 2 1 307.526 2.628 20 0 DFADMP COc1ccc(F)c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000646201690 431223008 /nfs/dbraw/zinc/22/30/08/431223008.db2.gz ZLLGAYGYQQUBDZ-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(F)c(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000646201690 431223017 /nfs/dbraw/zinc/22/30/17/431223017.db2.gz ZLLGAYGYQQUBDZ-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000660013410 431234353 /nfs/dbraw/zinc/23/43/53/431234353.db2.gz XEDAXKXARXRJBX-UAFMIMERSA-N 2 1 314.473 2.886 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000660013410 431234357 /nfs/dbraw/zinc/23/43/57/431234357.db2.gz XEDAXKXARXRJBX-UAFMIMERSA-N 2 1 314.473 2.886 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000646275469 431250713 /nfs/dbraw/zinc/25/07/13/431250713.db2.gz YYKCIEKHMDOQCJ-HLLBOEOZSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000646275469 431250720 /nfs/dbraw/zinc/25/07/20/431250720.db2.gz YYKCIEKHMDOQCJ-HLLBOEOZSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000646274612 431250844 /nfs/dbraw/zinc/25/08/44/431250844.db2.gz XRZWOQHPPSMFOO-NVXWUHKLSA-N 2 1 323.868 2.590 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000646274612 431250849 /nfs/dbraw/zinc/25/08/49/431250849.db2.gz XRZWOQHPPSMFOO-NVXWUHKLSA-N 2 1 323.868 2.590 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000646274614 431251476 /nfs/dbraw/zinc/25/14/76/431251476.db2.gz XRZWOQHPPSMFOO-WBVHZDCISA-N 2 1 323.868 2.590 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000646274614 431251479 /nfs/dbraw/zinc/25/14/79/431251479.db2.gz XRZWOQHPPSMFOO-WBVHZDCISA-N 2 1 323.868 2.590 20 0 DFADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H](O)C1CC1 ZINC000663076607 431279403 /nfs/dbraw/zinc/27/94/03/431279403.db2.gz IYZWXUBAEJPFSU-IBGZPJMESA-N 2 1 302.462 2.875 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000660200742 431316857 /nfs/dbraw/zinc/31/68/57/431316857.db2.gz TZDKDDALNIAHQT-WMZOPIPTSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H]1c2ccccc2CCC1(C)C ZINC000660200742 431316863 /nfs/dbraw/zinc/31/68/63/431316863.db2.gz TZDKDDALNIAHQT-WMZOPIPTSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1ccccc1CN1CCC[N@H+](C[C@@H]2CC[NH2+][C@@H](C)C2)CC1 ZINC000666619071 431300368 /nfs/dbraw/zinc/30/03/68/431300368.db2.gz UMVGHZXBOPZPNO-RBUKOAKNSA-N 2 1 315.505 2.891 20 0 DFADMP CC[N@@H+](CCCNC(=O)CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000653200572 431306306 /nfs/dbraw/zinc/30/63/06/431306306.db2.gz IYHYODBKGZQPMD-UHFFFAOYSA-N 2 1 323.525 2.927 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]1C[NH3+])C1CCCCC1 ZINC000653200712 431307074 /nfs/dbraw/zinc/30/70/74/431307074.db2.gz MYWFPCSOUWDCDW-DOTOQJQBSA-N 2 1 309.498 2.522 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C)C1CCCCC1 ZINC000653200517 431307297 /nfs/dbraw/zinc/30/72/97/431307297.db2.gz HAKFIMLOIHJTDC-QZTJIDSGSA-N 2 1 323.525 2.781 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000653200761 431307551 /nfs/dbraw/zinc/30/75/51/431307551.db2.gz PBJUMCMHBWQJLH-NVXWUHKLSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000666645442 431311319 /nfs/dbraw/zinc/31/13/19/431311319.db2.gz SRCQPNQEQBNZNH-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000660200737 431314697 /nfs/dbraw/zinc/31/46/97/431314697.db2.gz TZDKDDALNIAHQT-SJLPKXTDSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000660200737 431314701 /nfs/dbraw/zinc/31/47/01/431314701.db2.gz TZDKDDALNIAHQT-SJLPKXTDSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](C)C1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656108088 431262242 /nfs/dbraw/zinc/26/22/42/431262242.db2.gz MRBMXJCYHIGFFX-UHFFFAOYSA-N 2 1 317.481 2.633 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000660201440 431316025 /nfs/dbraw/zinc/31/60/25/431316025.db2.gz HLRDIVQLUWEQQK-QFBILLFUSA-N 2 1 319.493 2.639 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000660201440 431316029 /nfs/dbraw/zinc/31/60/29/431316029.db2.gz HLRDIVQLUWEQQK-QFBILLFUSA-N 2 1 319.493 2.639 20 0 DFADMP COC[C@@H]1CCC[NH+]1CCC(C)CC[N@@H+]1CCC[C@H]1COC ZINC000663065382 431274731 /nfs/dbraw/zinc/27/47/31/431274731.db2.gz CYOJOEFXAYZXQN-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc(C3([NH3+])CC4(CCC4)C3)n2)cc1 ZINC000663251310 431342383 /nfs/dbraw/zinc/34/23/83/431342383.db2.gz PEGHKCXYCNWDPY-UHFFFAOYSA-N 2 1 312.417 2.916 20 0 DFADMP FC1(F)C[C@@]12CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000649908143 431366271 /nfs/dbraw/zinc/36/62/71/431366271.db2.gz IBTLMZYUGUPZFK-QGZVFWFLSA-N 2 1 322.399 2.750 20 0 DFADMP FC1(F)C[C@@]12CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000649908143 431366275 /nfs/dbraw/zinc/36/62/75/431366275.db2.gz IBTLMZYUGUPZFK-QGZVFWFLSA-N 2 1 322.399 2.750 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC1 ZINC000660416394 431418610 /nfs/dbraw/zinc/41/86/10/431418610.db2.gz QVMNNFDVXQJOLZ-IAGOWNOFSA-N 2 1 323.525 2.687 20 0 DFADMP CO[C@@H](C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000660419664 431422531 /nfs/dbraw/zinc/42/25/31/431422531.db2.gz KQAWBCHIQPKVFP-WBVHZDCISA-N 2 1 305.466 2.973 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000660419664 431422536 /nfs/dbraw/zinc/42/25/36/431422536.db2.gz KQAWBCHIQPKVFP-WBVHZDCISA-N 2 1 305.466 2.973 20 0 DFADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n1 ZINC000663344987 431377088 /nfs/dbraw/zinc/37/70/88/431377088.db2.gz DLZZAXDOMZZTFB-MRXNPFEDSA-N 2 1 303.450 2.692 20 0 DFADMP CCOc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663344987 431377095 /nfs/dbraw/zinc/37/70/95/431377095.db2.gz DLZZAXDOMZZTFB-MRXNPFEDSA-N 2 1 303.450 2.692 20 0 DFADMP CN(C)c1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345316 431377745 /nfs/dbraw/zinc/37/77/45/431377745.db2.gz IFTRMZONWCWXSX-KRWDZBQOSA-N 2 1 301.478 2.964 20 0 DFADMP C[C@H](C(=O)Nc1cccc2c1CC[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000646735606 431382884 /nfs/dbraw/zinc/38/28/84/431382884.db2.gz HBEKQFICIBMEMV-OAHLLOKOSA-N 2 1 323.440 2.791 20 0 DFADMP c1ccc(COc2ccccc2C[NH2+][C@@H]2CCC[NH2+]CC2)nc1 ZINC000666855546 431386865 /nfs/dbraw/zinc/38/68/65/431386865.db2.gz ZFURZAKHHRKQHS-QGZVFWFLSA-N 2 1 311.429 2.892 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858053 431386888 /nfs/dbraw/zinc/38/68/88/431386888.db2.gz VIRYHVRNQALPGN-LBPRGKRZSA-N 2 1 313.239 2.689 20 0 DFADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000656499525 431410881 /nfs/dbraw/zinc/41/08/81/431410881.db2.gz QLWFLEOUFPZLJD-OALUTQOASA-N 2 1 324.472 2.652 20 0 DFADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000656499525 431410887 /nfs/dbraw/zinc/41/08/87/431410887.db2.gz QLWFLEOUFPZLJD-OALUTQOASA-N 2 1 324.472 2.652 20 0 DFADMP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)c(F)c1 ZINC000656497852 431411056 /nfs/dbraw/zinc/41/10/56/431411056.db2.gz JDWOAKZALFMQTM-OAHLLOKOSA-N 2 1 321.415 2.760 20 0 DFADMP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)c(Cl)c1OC ZINC000663498971 431444983 /nfs/dbraw/zinc/44/49/83/431444983.db2.gz WRGJFNMADARHBI-GFCCVEGCSA-N 2 1 300.830 2.820 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000663503007 431448064 /nfs/dbraw/zinc/44/80/64/431448064.db2.gz LIFGQAZLTMGEEU-HZPDHXFCSA-N 2 1 306.450 2.784 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccccc1-n1cccn1 ZINC000653604728 431455644 /nfs/dbraw/zinc/45/56/44/431455644.db2.gz VNZVUWHUEMIUQH-OAHLLOKOSA-N 2 1 309.417 2.889 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CNC1(c2ccc(F)cc2F)CCCC1 ZINC000653606466 431455938 /nfs/dbraw/zinc/45/59/38/431455938.db2.gz LUMQRGYZHKCVOC-AWEZNQCLSA-N 2 1 312.404 2.636 20 0 DFADMP CC[NH+](CC)CCCC1CC[NH+]([C@H](C)c2nccc(N)n2)CC1 ZINC000653612272 431459818 /nfs/dbraw/zinc/45/98/18/431459818.db2.gz GVHSMWHJIOJVLT-OAHLLOKOSA-N 2 1 319.497 2.954 20 0 DFADMP C[N@H+](CCc1noc2ccccc12)C[C@H]1CCc2[nH+]ccn2C1 ZINC000653629344 431468209 /nfs/dbraw/zinc/46/82/09/431468209.db2.gz USOOFQXITQJBML-CQSZACIVSA-N 2 1 310.401 2.761 20 0 DFADMP C[N@@H+](CCc1noc2ccccc12)C[C@H]1CCc2[nH+]ccn2C1 ZINC000653629344 431468217 /nfs/dbraw/zinc/46/82/17/431468217.db2.gz USOOFQXITQJBML-CQSZACIVSA-N 2 1 310.401 2.761 20 0 DFADMP FC(F)C1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000656690540 431479938 /nfs/dbraw/zinc/47/99/38/431479938.db2.gz HXMJDNJSUBBGSQ-UHFFFAOYSA-N 2 1 310.388 2.858 20 0 DFADMP CC1(C)C[C@@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CO1 ZINC000660433996 431427525 /nfs/dbraw/zinc/42/75/25/431427525.db2.gz DDCBYFLBOAYMNK-MRXNPFEDSA-N 2 1 303.450 2.966 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CCC1 ZINC000660435781 431428525 /nfs/dbraw/zinc/42/85/25/431428525.db2.gz QNJOJIJXLOMQED-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435781 431428529 /nfs/dbraw/zinc/42/85/29/431428529.db2.gz QNJOJIJXLOMQED-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435781 431428536 /nfs/dbraw/zinc/42/85/36/431428536.db2.gz QNJOJIJXLOMQED-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@H](C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435781 431428540 /nfs/dbraw/zinc/42/85/40/431428540.db2.gz QNJOJIJXLOMQED-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435781 431428543 /nfs/dbraw/zinc/42/85/43/431428543.db2.gz QNJOJIJXLOMQED-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000663466066 431430224 /nfs/dbraw/zinc/43/02/24/431430224.db2.gz NTMRVZFCPILBCM-CADBVGFASA-N 2 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000663466066 431430233 /nfs/dbraw/zinc/43/02/33/431430233.db2.gz NTMRVZFCPILBCM-CADBVGFASA-N 2 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000663466066 431430238 /nfs/dbraw/zinc/43/02/38/431430238.db2.gz NTMRVZFCPILBCM-CADBVGFASA-N 2 1 305.510 2.571 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000663466066 431430243 /nfs/dbraw/zinc/43/02/43/431430243.db2.gz NTMRVZFCPILBCM-CADBVGFASA-N 3 1 305.510 2.571 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000663466066 431430250 /nfs/dbraw/zinc/43/02/50/431430250.db2.gz NTMRVZFCPILBCM-CADBVGFASA-N 3 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000663466066 431430256 /nfs/dbraw/zinc/43/02/56/431430256.db2.gz NTMRVZFCPILBCM-CADBVGFASA-N 3 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]2CCC[C@H]21 ZINC000663466066 431430261 /nfs/dbraw/zinc/43/02/61/431430261.db2.gz NTMRVZFCPILBCM-CADBVGFASA-N 3 1 305.510 2.571 20 0 DFADMP COC[C@@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466045 431430854 /nfs/dbraw/zinc/43/08/54/431430854.db2.gz NIYAZKXSRCSADB-RTBURBONSA-N 2 1 324.509 2.530 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)n1 ZINC000663467226 431432054 /nfs/dbraw/zinc/43/20/54/431432054.db2.gz DSMKUURZODVWRQ-SUMWQHHRSA-N 2 1 302.466 2.866 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000663467226 431432055 /nfs/dbraw/zinc/43/20/55/431432055.db2.gz DSMKUURZODVWRQ-SUMWQHHRSA-N 2 1 302.466 2.866 20 0 DFADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466043 431432414 /nfs/dbraw/zinc/43/24/14/431432414.db2.gz NIYAZKXSRCSADB-OALUTQOASA-N 2 1 324.509 2.530 20 0 DFADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468544 431434226 /nfs/dbraw/zinc/43/42/26/431434226.db2.gz MATGOLHQVBCHJI-PMACEKPBSA-N 2 1 316.489 2.956 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614791 431516071 /nfs/dbraw/zinc/51/60/71/431516071.db2.gz AFQCWTYFKQLUNH-MRXNPFEDSA-N 2 1 324.371 2.578 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614791 431516074 /nfs/dbraw/zinc/51/60/74/431516074.db2.gz AFQCWTYFKQLUNH-MRXNPFEDSA-N 2 1 324.371 2.578 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614791 431516080 /nfs/dbraw/zinc/51/60/80/431516080.db2.gz AFQCWTYFKQLUNH-MRXNPFEDSA-N 2 1 324.371 2.578 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3ccc4c(c3)OC(F)(F)O4)C2)C1 ZINC000660614791 431516084 /nfs/dbraw/zinc/51/60/84/431516084.db2.gz AFQCWTYFKQLUNH-MRXNPFEDSA-N 2 1 324.371 2.578 20 0 DFADMP Cc1cccn2c(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cnc12 ZINC000656786288 431523801 /nfs/dbraw/zinc/52/38/01/431523801.db2.gz RVWAUBQTLRIJSY-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP C[N@@H+]1C[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@H](c2ccccc2)C1 ZINC000647249266 431527077 /nfs/dbraw/zinc/52/70/77/431527077.db2.gz OJOIFEKUCNTVIU-MOPGFXCFSA-N 2 1 322.456 2.789 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)[C@H](c2ccccc2)C1 ZINC000647249266 431527081 /nfs/dbraw/zinc/52/70/81/431527081.db2.gz OJOIFEKUCNTVIU-MOPGFXCFSA-N 2 1 322.456 2.789 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000647248769 431528355 /nfs/dbraw/zinc/52/83/55/431528355.db2.gz BQRMRHRQAUTDKT-NFBUACBFSA-N 2 1 313.489 2.547 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000647248769 431528363 /nfs/dbraw/zinc/52/83/63/431528363.db2.gz BQRMRHRQAUTDKT-NFBUACBFSA-N 2 1 313.489 2.547 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000647248769 431528370 /nfs/dbraw/zinc/52/83/70/431528370.db2.gz BQRMRHRQAUTDKT-NFBUACBFSA-N 2 1 313.489 2.547 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647249408 431529648 /nfs/dbraw/zinc/52/96/48/431529648.db2.gz YETYQLJDSFKFRX-XWSJACJDSA-N 2 1 302.462 2.879 20 0 DFADMP CC[C@@H](c1ccccc1OC)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660559254 431490561 /nfs/dbraw/zinc/49/05/61/431490561.db2.gz VLIBUOVYKVBQCL-WBVHZDCISA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@@H](c1cccc(OC)c1)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660558415 431491878 /nfs/dbraw/zinc/49/18/78/431491878.db2.gz SOPHBUZPSIMOCX-AEFFLSMTSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660558415 431491895 /nfs/dbraw/zinc/49/18/95/431491895.db2.gz SOPHBUZPSIMOCX-AEFFLSMTSA-N 2 1 308.466 2.779 20 0 DFADMP CC[C@@H](c1cccc(OC)c1)[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660558415 431491898 /nfs/dbraw/zinc/49/18/98/431491898.db2.gz SOPHBUZPSIMOCX-AEFFLSMTSA-N 2 1 308.466 2.779 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000647192733 431505391 /nfs/dbraw/zinc/50/53/91/431505391.db2.gz VSUGRVXDYQJPIM-LHHMMCJZSA-N 2 1 302.462 2.910 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647197907 431506998 /nfs/dbraw/zinc/50/69/98/431506998.db2.gz ULVYYVHMOACLOO-SZMVWBNQSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647197907 431507002 /nfs/dbraw/zinc/50/70/02/431507002.db2.gz ULVYYVHMOACLOO-SZMVWBNQSA-N 2 1 300.446 2.951 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000660696998 431556147 /nfs/dbraw/zinc/55/61/47/431556147.db2.gz RZNCTCJUDXTLHM-UHFFFAOYSA-N 2 1 322.468 2.831 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(C)C)cc(=O)c2O)C1 ZINC000663829476 431557832 /nfs/dbraw/zinc/55/78/32/431557832.db2.gz RAQUWRJWDHXPOQ-HNNXBMFYSA-N 2 1 318.461 2.649 20 0 DFADMP Cc1ccc2c(c1)C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)(C)C2 ZINC000660657957 431536033 /nfs/dbraw/zinc/53/60/33/431536033.db2.gz RUSIQPWDWNLCQJ-SFHVURJKSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1ccc2c(c1)C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)(C)C2 ZINC000660657957 431536039 /nfs/dbraw/zinc/53/60/39/431536039.db2.gz RUSIQPWDWNLCQJ-SFHVURJKSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1ccc2c(c1)C[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C2 ZINC000660657957 431536042 /nfs/dbraw/zinc/53/60/42/431536042.db2.gz RUSIQPWDWNLCQJ-SFHVURJKSA-N 2 1 304.478 2.833 20 0 DFADMP Cc1ccc2c(c1)C[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C(C)(C)C2 ZINC000660657957 431536046 /nfs/dbraw/zinc/53/60/46/431536046.db2.gz RUSIQPWDWNLCQJ-SFHVURJKSA-N 2 1 304.478 2.833 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000660695672 431552002 /nfs/dbraw/zinc/55/20/02/431552002.db2.gz BLFDUVBONKMSMJ-GOSISDBHSA-N 2 1 302.462 2.746 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3c(cccc3C)n2)[C@@H](C)C1 ZINC000647365000 431564608 /nfs/dbraw/zinc/56/46/08/431564608.db2.gz VVORENISMLHGEZ-WMLDXEAASA-N 2 1 300.450 2.505 20 0 DFADMP O=C([C@@H]1CCC[N@@H+](CCC[NH+]2CCCC2)C1)N1CCCCCC1 ZINC000366896638 280084045 /nfs/dbraw/zinc/08/40/45/280084045.db2.gz QCGUNAZQTXXXAV-GOSISDBHSA-N 2 1 321.509 2.587 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3cncn3c2)cc1 ZINC000656985030 431573501 /nfs/dbraw/zinc/57/35/01/431573501.db2.gz JWRMGWGZNMQYEQ-UHFFFAOYSA-N 2 1 324.428 2.565 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480620 431601262 /nfs/dbraw/zinc/60/12/62/431601262.db2.gz VHMZCPHSIBOVSG-DOTOQJQBSA-N 2 1 311.429 2.904 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480687 431601565 /nfs/dbraw/zinc/60/15/65/431601565.db2.gz XJVPKELEKRWDMR-PBHICJAKSA-N 2 1 304.482 2.509 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480687 431601571 /nfs/dbraw/zinc/60/15/71/431601571.db2.gz XJVPKELEKRWDMR-PBHICJAKSA-N 2 1 304.482 2.509 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000647479746 431602034 /nfs/dbraw/zinc/60/20/34/431602034.db2.gz RRERCJADIZCFOB-GOEBONIOSA-N 2 1 314.433 2.942 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)o1 ZINC000647479746 431602037 /nfs/dbraw/zinc/60/20/37/431602037.db2.gz RRERCJADIZCFOB-GOEBONIOSA-N 2 1 314.433 2.942 20 0 DFADMP c1cnn(-c2cccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2)c1 ZINC000647480233 431603907 /nfs/dbraw/zinc/60/39/07/431603907.db2.gz HICRTRFWDQYILF-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)c2)cn1 ZINC000647479422 431604165 /nfs/dbraw/zinc/60/41/65/431604165.db2.gz GMNBIJRAWOEXMQ-RHSMWYFYSA-N 2 1 316.474 2.898 20 0 DFADMP Cc1cc(F)ccc1[C@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660753675 431579712 /nfs/dbraw/zinc/57/97/12/431579712.db2.gz KGUSXVFPPUBSGB-FUHWJXTLSA-N 2 1 308.441 2.972 20 0 DFADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261930978 280416035 /nfs/dbraw/zinc/41/60/35/280416035.db2.gz LSFAJFRTIQJCRU-IPMKNSEASA-N 2 1 302.462 2.593 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C/C=C\c3ccccc3)C2)C1 ZINC000650706570 431652992 /nfs/dbraw/zinc/65/29/92/431652992.db2.gz NPGSOTCCIONIQN-CFQWGYSBSA-N 2 1 300.446 2.918 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)C1 ZINC000650706108 431653090 /nfs/dbraw/zinc/65/30/90/431653090.db2.gz DIBIOVQFJKWPRW-XNRPHZJLSA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)C1 ZINC000650707009 431653833 /nfs/dbraw/zinc/65/38/33/431653833.db2.gz WUFNUKZMHGNEMZ-SQWLQELKSA-N 2 1 321.490 2.739 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000650706398 431654871 /nfs/dbraw/zinc/65/48/71/431654871.db2.gz JRRLORKYYZXBPK-ZCNNSNEGSA-N 2 1 314.473 2.894 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657294351 431654989 /nfs/dbraw/zinc/65/49/89/431654989.db2.gz NWHAEGNSWYMFLV-LJQANCHMSA-N 2 1 318.461 2.817 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC000650709249 431655687 /nfs/dbraw/zinc/65/56/87/431655687.db2.gz MNXJDNOLRNZIHE-LRDDRELGSA-N 2 1 314.351 2.988 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C2 ZINC000650709249 431655690 /nfs/dbraw/zinc/65/56/90/431655690.db2.gz MNXJDNOLRNZIHE-LRDDRELGSA-N 2 1 314.351 2.988 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000650709349 431656654 /nfs/dbraw/zinc/65/66/54/431656654.db2.gz UNAJNFNWZGXGJZ-BJJXKVORSA-N 2 1 307.463 2.555 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000650709349 431656662 /nfs/dbraw/zinc/65/66/62/431656662.db2.gz UNAJNFNWZGXGJZ-BJJXKVORSA-N 2 1 307.463 2.555 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cccc4c3CCC4)C2)C1 ZINC000650708923 431657248 /nfs/dbraw/zinc/65/72/48/431657248.db2.gz VNBRNDVDSILXMW-QWFCFKBJSA-N 2 1 314.473 2.894 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000650709350 431657439 /nfs/dbraw/zinc/65/74/39/431657439.db2.gz UNAJNFNWZGXGJZ-NOLJZWGESA-N 2 1 307.463 2.555 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000650709350 431657444 /nfs/dbraw/zinc/65/74/44/431657444.db2.gz UNAJNFNWZGXGJZ-NOLJZWGESA-N 2 1 307.463 2.555 20 0 DFADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[NH2+]C[C@H](C)[NH+](CC)CC ZINC000657301394 431657739 /nfs/dbraw/zinc/65/77/39/431657739.db2.gz CLTLBSVNXFUJPI-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C[NH3+] ZINC000650714624 431659262 /nfs/dbraw/zinc/65/92/62/431659262.db2.gz SOIKUSNAXBLSDG-CZUORRHYSA-N 2 1 319.836 2.684 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2c(Cl)ccc3cccnc32)C[C@H]1C[NH3+] ZINC000650714624 431659269 /nfs/dbraw/zinc/65/92/69/431659269.db2.gz SOIKUSNAXBLSDG-CZUORRHYSA-N 2 1 319.836 2.684 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)CC[C@H]1[NH3+] ZINC000647498626 431609448 /nfs/dbraw/zinc/60/94/48/431609448.db2.gz LHXBUMYBUSWVKG-PBFPGSCMSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)cc3c2O[C@H](C)C3)CC[C@H]1[NH3+] ZINC000647498626 431609455 /nfs/dbraw/zinc/60/94/55/431609455.db2.gz LHXBUMYBUSWVKG-PBFPGSCMSA-N 2 1 304.434 2.578 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(Cc2ccccc2Cl)c1 ZINC000647509240 431612258 /nfs/dbraw/zinc/61/22/58/431612258.db2.gz XAWUUMOMMWHIBK-ZIAGYGMSSA-N 2 1 318.852 2.754 20 0 DFADMP COc1cc(C[NH+]2CCC(C)([NH3+])CC2)ccc1OC(F)F ZINC000647531648 431616884 /nfs/dbraw/zinc/61/68/84/431616884.db2.gz ODIVSOOEPPQAIZ-UHFFFAOYSA-N 2 1 300.349 2.610 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccccc2OCc2ccccn2)CC1 ZINC000647531254 431617180 /nfs/dbraw/zinc/61/71/80/431617180.db2.gz JZKAVKOKHLETCQ-UHFFFAOYSA-N 2 1 311.429 2.974 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000647533548 431619299 /nfs/dbraw/zinc/61/92/99/431619299.db2.gz UIJQPPTUIJUZAA-RBUKOAKNSA-N 2 1 315.505 2.828 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@H](CC[NH3+])C2)o1 ZINC000647535816 431619716 /nfs/dbraw/zinc/61/97/16/431619716.db2.gz RRAWQOKEDRTRIC-CQSZACIVSA-N 2 1 302.422 2.549 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000647541500 431622237 /nfs/dbraw/zinc/62/22/37/431622237.db2.gz LNDINNVUFRRWLK-GOSISDBHSA-N 2 1 314.433 2.564 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)o1 ZINC000647541500 431622244 /nfs/dbraw/zinc/62/22/44/431622244.db2.gz LNDINNVUFRRWLK-GOSISDBHSA-N 2 1 314.433 2.564 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543880 431623833 /nfs/dbraw/zinc/62/38/33/431623833.db2.gz TVUJASFXAAUPAE-JKSUJKDBSA-N 2 1 304.434 2.612 20 0 DFADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543123 431625188 /nfs/dbraw/zinc/62/51/88/431625188.db2.gz HVNCLXWGSZIZCL-HUUCEWRRSA-N 2 1 304.434 2.612 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000647543884 431625253 /nfs/dbraw/zinc/62/52/53/431625253.db2.gz TWCGXRYDJPFAPQ-JKSUJKDBSA-N 2 1 318.509 2.929 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647544196 431625314 /nfs/dbraw/zinc/62/53/14/431625314.db2.gz YBBFBJBZNIDAQR-IRXDYDNUSA-N 2 1 317.477 2.919 20 0 DFADMP COCc1nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000647543068 431625332 /nfs/dbraw/zinc/62/53/32/431625332.db2.gz HAYJPWSSDFXXOD-ZIAGYGMSSA-N 2 1 309.479 2.501 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2csc(C3CC3)n2)C1 ZINC000650722904 431664437 /nfs/dbraw/zinc/66/44/37/431664437.db2.gz DIPOYHOTCCMGLT-VNQPRFMTSA-N 2 1 321.490 2.881 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2csc(C3CC3)n2)C1 ZINC000650722904 431664440 /nfs/dbraw/zinc/66/44/40/431664440.db2.gz DIPOYHOTCCMGLT-VNQPRFMTSA-N 2 1 321.490 2.881 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1F ZINC000650723415 431664621 /nfs/dbraw/zinc/66/46/21/431664621.db2.gz NMEWTXAHXDAVAV-KBAYOESNSA-N 2 1 306.425 2.995 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)c(F)c2)C1 ZINC000650721875 431664686 /nfs/dbraw/zinc/66/46/86/431664686.db2.gz DZEXNHQUEYSAFI-COXVUDFISA-N 2 1 310.388 2.826 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723235 431665520 /nfs/dbraw/zinc/66/55/20/431665520.db2.gz JXZLKMAQSRVQLS-ZNMIVQPWSA-N 2 1 309.479 2.621 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650723537 431665984 /nfs/dbraw/zinc/66/59/84/431665984.db2.gz PUMMCHHHDPNZAD-JQHSSLGASA-N 2 1 306.425 2.995 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1F ZINC000650722809 431666275 /nfs/dbraw/zinc/66/62/75/431666275.db2.gz BSNNXWFBGPXBSL-CGTJXYLNSA-N 2 1 306.425 2.995 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)ccc1F ZINC000650722810 431666929 /nfs/dbraw/zinc/66/69/29/431666929.db2.gz BSNNXWFBGPXBSL-JQHSSLGASA-N 2 1 306.425 2.995 20 0 DFADMP C[N@H+](Cc1cc(-c2ccco2)on1)C[C@H]1CCn2ccnc2C1 ZINC000664140114 431668573 /nfs/dbraw/zinc/66/85/73/431668573.db2.gz SEMKBZMZLOKLOH-ZDUSSCGKSA-N 2 1 312.373 2.826 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cnc3n2CCC3)C1 ZINC000657313867 431670435 /nfs/dbraw/zinc/67/04/35/431670435.db2.gz WLQQJASKBBZSGL-IYBDPMFKSA-N 2 1 304.482 2.677 20 0 DFADMP c1nc2n(c1CNC[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657336275 431682106 /nfs/dbraw/zinc/68/21/06/431682106.db2.gz ZQWCMUVENQDOKW-GOSISDBHSA-N 2 1 324.472 2.831 20 0 DFADMP c1nc2n(c1C[NH2+]C[C@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657336275 431682115 /nfs/dbraw/zinc/68/21/15/431682115.db2.gz ZQWCMUVENQDOKW-GOSISDBHSA-N 2 1 324.472 2.831 20 0 DFADMP c1nc2n(c1C[NH2+]C[C@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657336275 431682121 /nfs/dbraw/zinc/68/21/21/431682121.db2.gz ZQWCMUVENQDOKW-GOSISDBHSA-N 3 1 324.472 2.831 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763981 431685521 /nfs/dbraw/zinc/68/55/21/431685521.db2.gz NKYRMZHSUUGYIM-XLIONFOSSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC[NH2+]CC1 ZINC000650763981 431685526 /nfs/dbraw/zinc/68/55/26/431685526.db2.gz NKYRMZHSUUGYIM-XLIONFOSSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790098 431686527 /nfs/dbraw/zinc/68/65/27/431686527.db2.gz RIGYDTJIAFMZOF-ZWJWXYIHSA-N 3 1 307.526 2.722 20 0 DFADMP CC[C@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@H]1CCCC[NH2+]1 ZINC000647804239 431693238 /nfs/dbraw/zinc/69/32/38/431693238.db2.gz MGJDLXGAZNOKFC-DLBZAZTESA-N 2 1 300.450 2.696 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000657355567 431695472 /nfs/dbraw/zinc/69/54/72/431695472.db2.gz UUIPZULYALAVGW-LBPRGKRZSA-N 2 1 312.255 2.584 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000657355567 431695476 /nfs/dbraw/zinc/69/54/76/431695476.db2.gz UUIPZULYALAVGW-LBPRGKRZSA-N 2 1 312.255 2.584 20 0 DFADMP Oc1cccc(C[NH+]2CCN(c3[nH+]ccc4[nH]ccc43)CC2)c1 ZINC000647864096 431710605 /nfs/dbraw/zinc/71/06/05/431710605.db2.gz AKYLMORCQVZYHE-UHFFFAOYSA-N 2 1 308.385 2.591 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1C[NH3+] ZINC000650715024 431663102 /nfs/dbraw/zinc/66/31/02/431663102.db2.gz LSUPJUDCRWUGFD-FZKQIMNGSA-N 2 1 318.392 2.881 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3F)o2)C[C@H]1C[NH3+] ZINC000650715024 431663109 /nfs/dbraw/zinc/66/31/09/431663109.db2.gz LSUPJUDCRWUGFD-FZKQIMNGSA-N 2 1 318.392 2.881 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000647912545 431726660 /nfs/dbraw/zinc/72/66/60/431726660.db2.gz MSCDZXPURPPAMN-QAPCUYQASA-N 2 1 303.450 2.824 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)N[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000664304693 431729116 /nfs/dbraw/zinc/72/91/16/431729116.db2.gz ILQVVIUFDUFBKY-INIZCTEOSA-N 2 1 318.465 2.743 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657431659 431747266 /nfs/dbraw/zinc/74/72/66/431747266.db2.gz ZVQSVXHVIFYDNN-WMZOPIPTSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657431659 431747274 /nfs/dbraw/zinc/74/72/74/431747274.db2.gz ZVQSVXHVIFYDNN-WMZOPIPTSA-N 2 1 324.472 2.830 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(c2ncnc3[nH]ccc32)C1 ZINC000664365237 431752022 /nfs/dbraw/zinc/75/20/22/431752022.db2.gz XQGFFWNZTPGSKU-MRXNPFEDSA-N 2 1 321.428 2.711 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965078 431754119 /nfs/dbraw/zinc/75/41/19/431754119.db2.gz FVJISMNJBLTEAE-IRXDYDNUSA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965078 431754125 /nfs/dbraw/zinc/75/41/25/431754125.db2.gz FVJISMNJBLTEAE-IRXDYDNUSA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965078 431754130 /nfs/dbraw/zinc/75/41/30/431754130.db2.gz FVJISMNJBLTEAE-IRXDYDNUSA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1 ZINC000647965078 431754138 /nfs/dbraw/zinc/75/41/38/431754138.db2.gz FVJISMNJBLTEAE-IRXDYDNUSA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1Cc1ccccc1 ZINC000647971998 431760068 /nfs/dbraw/zinc/76/00/68/431760068.db2.gz FSGPIPIQVLUBFW-GUDVDZBRSA-N 2 1 304.478 2.689 20 0 DFADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647975794 431761116 /nfs/dbraw/zinc/76/11/16/431761116.db2.gz GAMPMTFGFZEAHY-RRFJBIMHSA-N 2 1 306.454 2.966 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)c1ccc(Br)cn1 ZINC000657457319 431764048 /nfs/dbraw/zinc/76/40/48/431764048.db2.gz JDXGGADXMBMNGN-SNVBAGLBSA-N 2 1 321.222 2.838 20 0 DFADMP Cc1sc2ncnc(NCC[N@@H+](C)CCC[NH+](C)C)c2c1C ZINC000664247394 431714880 /nfs/dbraw/zinc/71/48/80/431714880.db2.gz LUJGXLAIGJEHFW-UHFFFAOYSA-N 2 1 321.494 2.604 20 0 DFADMP Cc1sc2ncnc(NCC[N@H+](C)CCC[NH+](C)C)c2c1C ZINC000664247394 431714887 /nfs/dbraw/zinc/71/48/87/431714887.db2.gz LUJGXLAIGJEHFW-UHFFFAOYSA-N 2 1 321.494 2.604 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881625 431715280 /nfs/dbraw/zinc/71/52/80/431715280.db2.gz VRLAWSOZAWBMLD-SJLPKXTDSA-N 2 1 323.525 2.783 20 0 DFADMP C[N@@H+](CCCC1CC[NH2+]CC1)CC(=O)Nc1cccc(Cl)c1 ZINC000647880318 431715487 /nfs/dbraw/zinc/71/54/87/431715487.db2.gz FWVCTTCLYXAUHH-UHFFFAOYSA-N 2 1 323.868 2.990 20 0 DFADMP OCCC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647881598 431715568 /nfs/dbraw/zinc/71/55/68/431715568.db2.gz RCBSVIBDSAZBRR-CYBMUJFWSA-N 2 1 317.260 2.787 20 0 DFADMP OCCC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CC[NH2+]C1 ZINC000647881598 431715572 /nfs/dbraw/zinc/71/55/72/431715572.db2.gz RCBSVIBDSAZBRR-CYBMUJFWSA-N 2 1 317.260 2.787 20 0 DFADMP Cc1csc([C@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)n1 ZINC000647884052 431719411 /nfs/dbraw/zinc/71/94/11/431719411.db2.gz YGXPMOYHMVVHFU-OAHLLOKOSA-N 2 1 309.479 2.605 20 0 DFADMP Cc1csc([C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)n1 ZINC000647884052 431719416 /nfs/dbraw/zinc/71/94/16/431719416.db2.gz YGXPMOYHMVVHFU-OAHLLOKOSA-N 2 1 309.479 2.605 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901739 431723318 /nfs/dbraw/zinc/72/33/18/431723318.db2.gz UOUBRQMOKABDBB-VQIMIIECSA-N 2 1 318.461 2.928 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000657509461 431794869 /nfs/dbraw/zinc/79/48/69/431794869.db2.gz GYJUTOYSFGKWRC-XDNAFOTISA-N 2 1 318.465 2.510 20 0 DFADMP CC1(C)C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CO1 ZINC000657530597 431798808 /nfs/dbraw/zinc/79/88/08/431798808.db2.gz LNDRPAAHJBMQKO-GOSISDBHSA-N 2 1 320.452 2.990 20 0 DFADMP CCCc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000648072323 431809571 /nfs/dbraw/zinc/80/95/71/431809571.db2.gz YIXWIVKUKQVOON-UHFFFAOYSA-N 2 1 302.462 2.936 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000647986908 431766153 /nfs/dbraw/zinc/76/61/53/431766153.db2.gz PIEQTFYTNOYYKN-ROUUACIJSA-N 2 1 318.461 2.533 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H](c2nnc(C3CC3)[nH]2)C1 ZINC000647988441 431766195 /nfs/dbraw/zinc/76/61/95/431766195.db2.gz JXNUGSVZFAPGCB-MRXNPFEDSA-N 2 1 317.481 2.641 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000647988441 431766202 /nfs/dbraw/zinc/76/62/02/431766202.db2.gz JXNUGSVZFAPGCB-MRXNPFEDSA-N 2 1 317.481 2.641 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CCC[C@@H](c2nc(C3CC3)n[nH]2)C1 ZINC000647988441 431766207 /nfs/dbraw/zinc/76/62/07/431766207.db2.gz JXNUGSVZFAPGCB-MRXNPFEDSA-N 2 1 317.481 2.641 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000647990875 431767517 /nfs/dbraw/zinc/76/75/17/431767517.db2.gz RCJAJOHVIFMHDF-PKOBYXMFSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000647990875 431767519 /nfs/dbraw/zinc/76/75/19/431767519.db2.gz RCJAJOHVIFMHDF-PKOBYXMFSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000647990875 431767533 /nfs/dbraw/zinc/76/75/33/431767533.db2.gz RCJAJOHVIFMHDF-PKOBYXMFSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000647990875 431767537 /nfs/dbraw/zinc/76/75/37/431767537.db2.gz RCJAJOHVIFMHDF-PKOBYXMFSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2[C@@H](CCCN2C2CC2)C1 ZINC000647990875 431767543 /nfs/dbraw/zinc/76/75/43/431767543.db2.gz RCJAJOHVIFMHDF-PKOBYXMFSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000647990875 431767545 /nfs/dbraw/zinc/76/75/45/431767545.db2.gz RCJAJOHVIFMHDF-PKOBYXMFSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000647990875 431767552 /nfs/dbraw/zinc/76/75/52/431767552.db2.gz RCJAJOHVIFMHDF-PKOBYXMFSA-N 2 1 305.510 2.715 20 0 DFADMP c1ccc(C[C@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)cc1 ZINC000647988763 431767612 /nfs/dbraw/zinc/76/76/12/431767612.db2.gz IHKBPCADIXDFIN-IBGZPJMESA-N 2 1 302.462 2.710 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000647990874 431767914 /nfs/dbraw/zinc/76/79/14/431767914.db2.gz RCJAJOHVIFMHDF-MJGOQNOKSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000647990874 431767919 /nfs/dbraw/zinc/76/79/19/431767919.db2.gz RCJAJOHVIFMHDF-MJGOQNOKSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000647990874 431767925 /nfs/dbraw/zinc/76/79/25/431767925.db2.gz RCJAJOHVIFMHDF-MJGOQNOKSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000647990874 431767935 /nfs/dbraw/zinc/76/79/35/431767935.db2.gz RCJAJOHVIFMHDF-MJGOQNOKSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@H]2[C@H](CCCN2C2CC2)C1 ZINC000647990874 431767939 /nfs/dbraw/zinc/76/79/39/431767939.db2.gz RCJAJOHVIFMHDF-MJGOQNOKSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000647990874 431767945 /nfs/dbraw/zinc/76/79/45/431767945.db2.gz RCJAJOHVIFMHDF-MJGOQNOKSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000647990874 431767949 /nfs/dbraw/zinc/76/79/49/431767949.db2.gz RCJAJOHVIFMHDF-MJGOQNOKSA-N 2 1 305.510 2.715 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H]([C@@H]3CCCC3(C)C)C2)n1 ZINC000647995261 431769740 /nfs/dbraw/zinc/76/97/40/431769740.db2.gz JSKLASRQWOLCCP-OLZOCXBDSA-N 2 1 306.454 2.912 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000648002315 431772101 /nfs/dbraw/zinc/77/21/01/431772101.db2.gz NAVAUMWIHWSFDJ-OAHLLOKOSA-N 2 1 316.449 2.762 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000648002315 431772107 /nfs/dbraw/zinc/77/21/07/431772107.db2.gz NAVAUMWIHWSFDJ-OAHLLOKOSA-N 2 1 316.449 2.762 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000648002315 431772110 /nfs/dbraw/zinc/77/21/10/431772110.db2.gz NAVAUMWIHWSFDJ-OAHLLOKOSA-N 2 1 316.449 2.762 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000648002315 431772114 /nfs/dbraw/zinc/77/21/14/431772114.db2.gz NAVAUMWIHWSFDJ-OAHLLOKOSA-N 2 1 316.449 2.762 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1ccnn1CC(C)C ZINC000648012181 431778506 /nfs/dbraw/zinc/77/85/06/431778506.db2.gz SBPAAEJPRPWNSB-MRXNPFEDSA-N 2 1 301.438 2.709 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1ccnn1CC(C)C ZINC000648012181 431778511 /nfs/dbraw/zinc/77/85/11/431778511.db2.gz SBPAAEJPRPWNSB-MRXNPFEDSA-N 2 1 301.438 2.709 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000657492738 431782814 /nfs/dbraw/zinc/78/28/14/431782814.db2.gz ZWIDOQFMZOTPHE-AEFFLSMTSA-N 2 1 320.477 2.922 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1(CO)CC1 ZINC000657608066 431823203 /nfs/dbraw/zinc/82/32/03/431823203.db2.gz PKOMBYKKGNJXAB-WMZOPIPTSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1(CO)CC1 ZINC000657608066 431823206 /nfs/dbraw/zinc/82/32/06/431823206.db2.gz PKOMBYKKGNJXAB-WMZOPIPTSA-N 2 1 314.473 2.934 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657630937 431829288 /nfs/dbraw/zinc/82/92/88/431829288.db2.gz RUIWNDKOKBDIDU-IBGZPJMESA-N 2 1 314.473 2.995 20 0 DFADMP C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000648162207 431829805 /nfs/dbraw/zinc/82/98/05/431829805.db2.gz OWYJKBVBGHHBDO-ZBFHGGJFSA-N 2 1 323.868 2.719 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@@H]1c1ccc(Cl)cc1 ZINC000648162207 431829808 /nfs/dbraw/zinc/82/98/08/431829808.db2.gz OWYJKBVBGHHBDO-ZBFHGGJFSA-N 2 1 323.868 2.719 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356103468 282024161 /nfs/dbraw/zinc/02/41/61/282024161.db2.gz VEDZIPYRAAMDFB-JKSUJKDBSA-N 2 1 319.493 2.790 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278982208 282034768 /nfs/dbraw/zinc/03/47/68/282034768.db2.gz PBEKLUNZRRRKHU-STQMWFEESA-N 2 1 302.447 2.878 20 0 DFADMP C[C@@H](C(=O)N1CCC(CCC[NH+](C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000153787973 289060635 /nfs/dbraw/zinc/06/06/35/289060635.db2.gz WRAAFQLGGVWTBY-BBWFWOEESA-N 2 1 323.525 2.828 20 0 DFADMP CC(C)CSCCC[NH+]1CCC([N@H+](C)CCCO)CC1 ZINC000153785005 289060691 /nfs/dbraw/zinc/06/06/91/289060691.db2.gz ODNSXTWYTSGLNQ-UHFFFAOYSA-N 2 1 302.528 2.544 20 0 DFADMP CC(C)CSCCC[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000153785005 289060695 /nfs/dbraw/zinc/06/06/95/289060695.db2.gz ODNSXTWYTSGLNQ-UHFFFAOYSA-N 2 1 302.528 2.544 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000363335388 289078660 /nfs/dbraw/zinc/07/86/60/289078660.db2.gz PLIKQSNIZUPAQK-WMLDXEAASA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000363335388 289078662 /nfs/dbraw/zinc/07/86/62/289078662.db2.gz PLIKQSNIZUPAQK-WMLDXEAASA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000363335388 289078667 /nfs/dbraw/zinc/07/86/67/289078667.db2.gz PLIKQSNIZUPAQK-WMLDXEAASA-N 2 1 323.506 2.587 20 0 DFADMP c1ccc(-c2nnc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)o2)cc1 ZINC000363416364 289092057 /nfs/dbraw/zinc/09/20/57/289092057.db2.gz ZZTPBNNIYWCGQU-IXDOHACOSA-N 2 1 324.428 2.653 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000261906562 290061278 /nfs/dbraw/zinc/06/12/78/290061278.db2.gz PMVSRLOIGLAUCH-JECHBYEQSA-N 2 1 310.401 2.973 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+]([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]2C1 ZINC000367327500 290289547 /nfs/dbraw/zinc/28/95/47/290289547.db2.gz QVKXPXKZIOHANS-DVOMOZLQSA-N 2 1 304.409 2.921 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+]([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]2C1 ZINC000367327500 290289548 /nfs/dbraw/zinc/28/95/48/290289548.db2.gz QVKXPXKZIOHANS-DVOMOZLQSA-N 2 1 304.409 2.921 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+]([C@@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]2C1 ZINC000367327500 290289551 /nfs/dbraw/zinc/28/95/51/290289551.db2.gz QVKXPXKZIOHANS-DVOMOZLQSA-N 2 1 304.409 2.921 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261765154 290390200 /nfs/dbraw/zinc/39/02/00/290390200.db2.gz NXHJFKRXDKXPBR-XLAORIBOSA-N 2 1 321.509 2.617 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438000904 297076905 /nfs/dbraw/zinc/07/69/05/297076905.db2.gz QOQVDEDHSONNHA-MJGOQNOKSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000438000904 297076907 /nfs/dbraw/zinc/07/69/07/297076907.db2.gz QOQVDEDHSONNHA-MJGOQNOKSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000438000904 297076908 /nfs/dbraw/zinc/07/69/08/297076908.db2.gz QOQVDEDHSONNHA-MJGOQNOKSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)CC1 ZINC000438000904 297076909 /nfs/dbraw/zinc/07/69/09/297076909.db2.gz QOQVDEDHSONNHA-MJGOQNOKSA-N 2 1 317.477 2.795 20 0 DFADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000156978833 295343348 /nfs/dbraw/zinc/34/33/48/295343348.db2.gz SPLWATKZUPWQES-KRWDZBQOSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167761 295359488 /nfs/dbraw/zinc/35/94/88/295359488.db2.gz ATFCVZGTJKZFTK-LSDHHAIUSA-N 2 1 317.433 2.636 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000158224404 295360412 /nfs/dbraw/zinc/36/04/12/295360412.db2.gz WFNNROHKJHNQCG-WMZOPIPTSA-N 2 1 312.461 2.924 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cnn(Cc2ccccc2)c1 ZINC000158224404 295360413 /nfs/dbraw/zinc/36/04/13/295360413.db2.gz WFNNROHKJHNQCG-WMZOPIPTSA-N 2 1 312.461 2.924 20 0 DFADMP COc1ccccc1C[N@@H+](C[C@H]1CCCO1)CC1CC[NH2+]CC1 ZINC000178958656 295361557 /nfs/dbraw/zinc/36/15/57/295361557.db2.gz SPSDWUPVZRKLIT-GOSISDBHSA-N 2 1 318.461 2.676 20 0 DFADMP CCC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccn1 ZINC000159021074 295370940 /nfs/dbraw/zinc/37/09/40/295370940.db2.gz GUHQQFMHJIFKPI-QGZVFWFLSA-N 2 1 304.482 2.540 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1Cl)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397072563 295486602 /nfs/dbraw/zinc/48/66/02/295486602.db2.gz MXKAELRUUWNWML-JTQLQIEISA-N 2 1 303.233 2.840 20 0 DFADMP CC(C)(C)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000438187227 297084032 /nfs/dbraw/zinc/08/40/32/297084032.db2.gz GPHJJVTWLLEMCJ-ROUUACIJSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)(C)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000438187227 297084033 /nfs/dbraw/zinc/08/40/33/297084033.db2.gz GPHJJVTWLLEMCJ-ROUUACIJSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438567813 297099010 /nfs/dbraw/zinc/09/90/10/297099010.db2.gz OIZVTBVDGZKFIB-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438567813 297099012 /nfs/dbraw/zinc/09/90/12/297099012.db2.gz OIZVTBVDGZKFIB-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438567813 297099015 /nfs/dbraw/zinc/09/90/15/297099015.db2.gz OIZVTBVDGZKFIB-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438565168 297099118 /nfs/dbraw/zinc/09/91/18/297099118.db2.gz BTJJCDXAAYPDOG-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565168 297099120 /nfs/dbraw/zinc/09/91/20/297099120.db2.gz BTJJCDXAAYPDOG-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438565168 297099121 /nfs/dbraw/zinc/09/91/21/297099121.db2.gz BTJJCDXAAYPDOG-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)C[NH+]1CCC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000439934749 297141067 /nfs/dbraw/zinc/14/10/67/297141067.db2.gz SGDYYONZWSWZRA-GOSISDBHSA-N 2 1 321.509 2.630 20 0 DFADMP COC(=O)CC1(C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000440703795 297162535 /nfs/dbraw/zinc/16/25/35/297162535.db2.gz IUIZYGFJWRULTN-QGZVFWFLSA-N 2 1 322.493 2.918 20 0 DFADMP COC(=O)CC1(C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000440703795 297162536 /nfs/dbraw/zinc/16/25/36/297162536.db2.gz IUIZYGFJWRULTN-QGZVFWFLSA-N 2 1 322.493 2.918 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000441245802 297177080 /nfs/dbraw/zinc/17/70/80/297177080.db2.gz NJSDVYRQIFPUMW-MTHXSQLBSA-N 2 1 324.509 2.765 20 0 DFADMP CCc1ccc(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000441262306 297177785 /nfs/dbraw/zinc/17/77/85/297177785.db2.gz VPVRWUWAHFEAEV-XUVXKRRUSA-N 2 1 316.489 2.975 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1(C)C ZINC000441349996 297180394 /nfs/dbraw/zinc/18/03/94/297180394.db2.gz HCULDVDWCIYKKO-KGLIPLIRSA-N 2 1 321.431 2.723 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000441369673 297181242 /nfs/dbraw/zinc/18/12/42/297181242.db2.gz OACOPHYVEXMYDR-GDBMZVCRSA-N 2 1 305.466 2.519 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N1CCC[C@@H](CC[NH3+])C1)c1cccc(Cl)c1 ZINC000442630482 297198339 /nfs/dbraw/zinc/19/83/39/297198339.db2.gz VPXBWXRJHXYBKO-XJKSGUPXSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000442758838 297204459 /nfs/dbraw/zinc/20/44/59/297204459.db2.gz JUEMEOLMNFLEHT-GJZGRUSLSA-N 2 1 310.445 2.530 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000442758838 297204461 /nfs/dbraw/zinc/20/44/61/297204461.db2.gz JUEMEOLMNFLEHT-GJZGRUSLSA-N 2 1 310.445 2.530 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000442765679 297205052 /nfs/dbraw/zinc/20/50/52/297205052.db2.gz IKQQSNXGVFGVSN-YIONKMFJSA-N 2 1 319.424 2.678 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783760 297205924 /nfs/dbraw/zinc/20/59/24/297205924.db2.gz RXXFTAGSHDVQND-YMAMQOFZSA-N 2 1 304.425 2.637 20 0 DFADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000442860746 297208542 /nfs/dbraw/zinc/20/85/42/297208542.db2.gz CNRAKPPXYOHFLW-SFHVURJKSA-N 2 1 319.493 2.762 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC[C@H](CC[NH3+])C3)c1)O[C@H](C)C2 ZINC000442922971 297211138 /nfs/dbraw/zinc/21/11/38/297211138.db2.gz LRTNAJXYKYWLPG-ZIAGYGMSSA-N 2 1 304.434 2.579 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000442922965 297211275 /nfs/dbraw/zinc/21/12/75/297211275.db2.gz LRTNAJXYKYWLPG-KBPBESRZSA-N 2 1 304.434 2.579 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1F ZINC000443058040 297213952 /nfs/dbraw/zinc/21/39/52/297213952.db2.gz IXIFSAWEKGQDTP-ZIAGYGMSSA-N 2 1 307.413 2.522 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058454 297214102 /nfs/dbraw/zinc/21/41/02/297214102.db2.gz AFGGYCNMKFNOCS-CVEARBPZSA-N 2 1 303.450 2.691 20 0 DFADMP CC1CCC(N(C(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)C2CC2)CC1 ZINC000443059037 297214110 /nfs/dbraw/zinc/21/41/10/297214110.db2.gz LQDDYMHGTVJBEZ-CGZBRXJRSA-N 2 1 321.509 2.617 20 0 DFADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063099 297214397 /nfs/dbraw/zinc/21/43/97/297214397.db2.gz VVALHKWDBHDXMJ-KBPBESRZSA-N 2 1 321.490 2.796 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063430 297214430 /nfs/dbraw/zinc/21/44/30/297214430.db2.gz WOWROYZZXFWDGU-KGLIPLIRSA-N 2 1 323.868 2.578 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444659198 297243796 /nfs/dbraw/zinc/24/37/96/297243796.db2.gz CNLTWHRKPNTWPT-QAPCUYQASA-N 2 1 321.509 2.630 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444735912 297248065 /nfs/dbraw/zinc/24/80/65/297248065.db2.gz PNBQSVFBJQESEI-UONOGXRCSA-N 2 1 319.371 2.607 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([C@@H](O)C(F)(F)F)C1 ZINC000444735912 297248067 /nfs/dbraw/zinc/24/80/67/297248067.db2.gz PNBQSVFBJQESEI-UONOGXRCSA-N 2 1 319.371 2.607 20 0 DFADMP CCc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000445805325 297267170 /nfs/dbraw/zinc/26/71/70/297267170.db2.gz JKIBWOGBBFIAHW-KRWDZBQOSA-N 2 1 315.505 2.849 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000446819440 297287341 /nfs/dbraw/zinc/28/73/41/297287341.db2.gz XWCVLUVDIOQIFX-MSOLQXFVSA-N 2 1 308.441 2.959 20 0 DFADMP C[NH+](CC(O)C[N@H+](C)C[C@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000447302073 297299881 /nfs/dbraw/zinc/29/98/81/297299881.db2.gz OHPXUUDSOFCCOO-ROUUACIJSA-N 2 1 306.494 2.924 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000447736634 297315054 /nfs/dbraw/zinc/31/50/54/297315054.db2.gz OANNERPSCWQLAY-DLBZAZTESA-N 2 1 304.478 2.957 20 0 DFADMP C[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552085 297342591 /nfs/dbraw/zinc/34/25/91/297342591.db2.gz LIAYEMRYGMQETQ-LJQANCHMSA-N 2 1 315.505 2.926 20 0 DFADMP Cc1cccc(CC[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000449024840 297393247 /nfs/dbraw/zinc/39/32/47/297393247.db2.gz FHOAZFBICFYIFN-QGZVFWFLSA-N 2 1 304.478 2.562 20 0 DFADMP Cn1nccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453074360 298059761 /nfs/dbraw/zinc/05/97/61/298059761.db2.gz HMJPIOCYLLDGIQ-XUVXKRRUSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453074360 298059764 /nfs/dbraw/zinc/05/97/64/298059764.db2.gz HMJPIOCYLLDGIQ-XUVXKRRUSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453074360 298059765 /nfs/dbraw/zinc/05/97/65/298059765.db2.gz HMJPIOCYLLDGIQ-XUVXKRRUSA-N 2 1 324.472 2.953 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCc2ccccc2CC1 ZINC000453122612 298065295 /nfs/dbraw/zinc/06/52/95/298065295.db2.gz YDDWYATXOJQPRI-FQEVSTJZSA-N 2 1 316.489 2.761 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192368 298070092 /nfs/dbraw/zinc/07/00/92/298070092.db2.gz GKZCHOFCBZVUBS-SJORKVTESA-N 2 1 308.853 2.837 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192368 298070094 /nfs/dbraw/zinc/07/00/94/298070094.db2.gz GKZCHOFCBZVUBS-SJORKVTESA-N 2 1 308.853 2.837 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346529 298085732 /nfs/dbraw/zinc/08/57/32/298085732.db2.gz IGRWUSVFGBPREX-KEYYUXOJSA-N 2 1 316.424 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346529 298085733 /nfs/dbraw/zinc/08/57/33/298085733.db2.gz IGRWUSVFGBPREX-KEYYUXOJSA-N 2 1 316.424 2.830 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@H]2CCC[C@H]21 ZINC000453378611 298088051 /nfs/dbraw/zinc/08/80/51/298088051.db2.gz KKXJWYUIRMOFJS-WCWVYFQPSA-N 2 1 315.461 2.764 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000453398868 298090031 /nfs/dbraw/zinc/09/00/31/298090031.db2.gz NHLPRYFRXLNATR-HOTGVXAUSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000453398868 298090032 /nfs/dbraw/zinc/09/00/32/298090032.db2.gz NHLPRYFRXLNATR-HOTGVXAUSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)O1 ZINC000453408859 298090916 /nfs/dbraw/zinc/09/09/16/298090916.db2.gz NWLICKYGSKNJFE-KXBFYZLASA-N 2 1 320.452 2.990 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)O1 ZINC000453408853 298091233 /nfs/dbraw/zinc/09/12/33/298091233.db2.gz NWLICKYGSKNJFE-BEFAXECRSA-N 2 1 320.452 2.990 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000453418526 298092915 /nfs/dbraw/zinc/09/29/15/298092915.db2.gz YHJYMQGJNALVNE-OXJNMPFZSA-N 2 1 324.472 2.828 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)cn2)[C@@H](C)C1 ZINC000453439150 298095665 /nfs/dbraw/zinc/09/56/65/298095665.db2.gz VWAKJFRWCRNQEN-HKUYNNGSSA-N 2 1 319.493 2.659 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)c2ccccc21 ZINC000496083295 300017324 /nfs/dbraw/zinc/01/73/24/300017324.db2.gz QBQWKZVDZXDNNK-ROUUACIJSA-N 2 1 323.396 2.878 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000496217323 300031514 /nfs/dbraw/zinc/03/15/14/300031514.db2.gz JJYAQZOYPYBWDK-CJNGLKHVSA-N 2 1 305.422 2.528 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000496483463 300069345 /nfs/dbraw/zinc/06/93/45/300069345.db2.gz YTQGVCKESKEYNX-CXAGYDPISA-N 2 1 317.433 2.811 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1cccc(N2CCOC2=O)c1 ZINC000496631143 300090315 /nfs/dbraw/zinc/09/03/15/300090315.db2.gz GNQUYUFDPJYDGH-AWEZNQCLSA-N 2 1 317.433 2.955 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496919283 300132832 /nfs/dbraw/zinc/13/28/32/300132832.db2.gz KMEHKFUJFOUVHA-UKRRQHHQSA-N 2 1 305.422 2.667 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497047274 300152204 /nfs/dbraw/zinc/15/22/04/300152204.db2.gz QUWWCYREUSNCAS-KRWDZBQOSA-N 2 1 319.449 2.569 20 0 DFADMP COC(=O)[C@@H]1C[C@@H](C2CCCCC2)CN1CC[C@H]1CCC[N@H+]1C ZINC000502903418 300218795 /nfs/dbraw/zinc/21/87/95/300218795.db2.gz DEIXDRGWTAFPAC-KURKYZTESA-N 2 1 322.493 2.915 20 0 DFADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000503269217 300219554 /nfs/dbraw/zinc/21/95/54/300219554.db2.gz YJPXWFOTYNNHKC-APWZRJJASA-N 2 1 316.493 2.579 20 0 DFADMP CC[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000513479640 300258070 /nfs/dbraw/zinc/25/80/70/300258070.db2.gz PBWMXQVBKHZLSC-UYAOXDASSA-N 2 1 315.505 2.892 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@@H]3CCOC3)C2)s1 ZINC000515018986 300284945 /nfs/dbraw/zinc/28/49/45/300284945.db2.gz NJFXXFOTQOEVGT-HOTGVXAUSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCOC3)C2)s1 ZINC000515018986 300284946 /nfs/dbraw/zinc/28/49/46/300284946.db2.gz NJFXXFOTQOEVGT-HOTGVXAUSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H]3CCOC3)C2)s1 ZINC000515018986 300284947 /nfs/dbraw/zinc/28/49/47/300284947.db2.gz NJFXXFOTQOEVGT-HOTGVXAUSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3C[C@@H](C)O[C@H]3C)CC2)oc1C ZINC000515036398 300285653 /nfs/dbraw/zinc/28/56/53/300285653.db2.gz NNPXSFGABPBLAW-ISTRZQFTSA-N 2 1 321.465 2.659 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]2C[C@@H]([NH3+])C2)c1 ZINC000515302468 300299087 /nfs/dbraw/zinc/29/90/87/300299087.db2.gz VRBLSUGNURPPDY-GASCZTMLSA-N 2 1 312.417 2.731 20 0 DFADMP CCCCC[C@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516301517 300339129 /nfs/dbraw/zinc/33/91/29/300339129.db2.gz UCAWTRSCQDSNSC-FHWLQOOXSA-N 2 1 304.478 2.962 20 0 DFADMP Cn1cncc1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000517010016 300376609 /nfs/dbraw/zinc/37/66/09/300376609.db2.gz XNIPPJLVIGTPIM-REPLKXPHSA-N 2 1 324.472 2.748 20 0 DFADMP Cc1ncc(CN[C@@H](c2ccc(F)cc2)[C@H]2CCCO2)n1C ZINC000517395879 300395851 /nfs/dbraw/zinc/39/58/51/300395851.db2.gz TXQNWNQBBYKJGY-SJORKVTESA-N 2 1 303.381 2.878 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCC(=O)NC2CCCCC2)c2ccccc21 ZINC000521423810 300526418 /nfs/dbraw/zinc/52/64/18/300526418.db2.gz VWDNOJBJVIBKHR-IAGOWNOFSA-N 2 1 301.434 2.560 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000530023204 301005300 /nfs/dbraw/zinc/00/53/00/301005300.db2.gz CSZZAZBQRKNRPZ-ROUUACIJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]CCc1cccc2c1OC(F)(F)O2)c1c[nH+]ccc1N ZINC000530218533 301030445 /nfs/dbraw/zinc/03/04/45/301030445.db2.gz WPZLGKKILQKJPQ-JTQLQIEISA-N 2 1 321.327 2.709 20 0 DFADMP C[C@H]([NH2+]Cc1cc(F)c(Br)cc1F)[C@H]1CC[NH2+]C1 ZINC000530219521 301030981 /nfs/dbraw/zinc/03/09/81/301030981.db2.gz JMZYKQBKNHXBHM-IUCAKERBSA-N 2 1 319.193 2.815 20 0 DFADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000530219691 301031296 /nfs/dbraw/zinc/03/12/96/301031296.db2.gz HXFIKFUHGUZQFZ-QWHCGFSZSA-N 2 1 313.367 2.922 20 0 DFADMP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCc1c[nH+]cn1C)CC3 ZINC000530407299 301046097 /nfs/dbraw/zinc/04/60/97/301046097.db2.gz NZMISFCNDOGKAG-AWEZNQCLSA-N 2 1 308.429 2.899 20 0 DFADMP CCc1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](CC)[C@@H](C)C2)c1 ZINC000530662798 301061974 /nfs/dbraw/zinc/06/19/74/301061974.db2.gz CBHZMYBCXMNCOU-YJBOKZPZSA-N 2 1 317.477 2.992 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000531677101 301103575 /nfs/dbraw/zinc/10/35/75/301103575.db2.gz JRCYZMRHXCHOFO-HZPDHXFCSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531785597 301110286 /nfs/dbraw/zinc/11/02/86/301110286.db2.gz VJLOFVYLALZMGH-PMPSAXMXSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531954330 301121208 /nfs/dbraw/zinc/12/12/08/301121208.db2.gz CJCRWZACIBSOIG-LMRVLLHPSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531954330 301121210 /nfs/dbraw/zinc/12/12/10/301121210.db2.gz CJCRWZACIBSOIG-LMRVLLHPSA-N 2 1 322.415 2.932 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000531980499 301123132 /nfs/dbraw/zinc/12/31/32/301123132.db2.gz IWBRIHHGLAWECO-YQQAZPJKSA-N 2 1 303.450 2.784 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000531980499 301123135 /nfs/dbraw/zinc/12/31/35/301123135.db2.gz IWBRIHHGLAWECO-YQQAZPJKSA-N 2 1 303.450 2.784 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271276 301193900 /nfs/dbraw/zinc/19/39/00/301193900.db2.gz BVAZEEUIIUCZDH-GOSISDBHSA-N 2 1 318.461 2.953 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271276 301193902 /nfs/dbraw/zinc/19/39/02/301193902.db2.gz BVAZEEUIIUCZDH-GOSISDBHSA-N 2 1 318.461 2.953 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000533817508 301213812 /nfs/dbraw/zinc/21/38/12/301213812.db2.gz XQXRQHFENQSCLJ-QGZVFWFLSA-N 2 1 307.507 2.740 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccsc2)CC1 ZINC000533817508 301213814 /nfs/dbraw/zinc/21/38/14/301213814.db2.gz XQXRQHFENQSCLJ-QGZVFWFLSA-N 2 1 307.507 2.740 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]C[C@@H]2CC=CCC2)c2cccs2)CC1 ZINC000537179837 301296088 /nfs/dbraw/zinc/29/60/88/301296088.db2.gz IIAJODOGZKDTHN-IAGOWNOFSA-N 2 1 319.518 2.983 20 0 DFADMP Cc1ccsc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000539824399 301350878 /nfs/dbraw/zinc/35/08/78/301350878.db2.gz CDBUPASPLXPOFG-MRXNPFEDSA-N 2 1 307.507 2.657 20 0 DFADMP CC(C)c1cc(N2C[C@@H]([NH+]3CCCC3)C[C@H]2C)nc(N(C)C)[nH+]1 ZINC000553679681 301718635 /nfs/dbraw/zinc/71/86/35/301718635.db2.gz OSOYHBSXJFGSBE-CABCVRRESA-N 2 1 317.481 2.729 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCOc2cc(F)cc(F)c21 ZINC000562571822 301974899 /nfs/dbraw/zinc/97/48/99/301974899.db2.gz MRINROFDVZSOJO-CQSZACIVSA-N 2 1 307.344 2.744 20 0 DFADMP COCC1([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000562771327 302000944 /nfs/dbraw/zinc/00/09/44/302000944.db2.gz VRNNLTDTZJRHHF-INIZCTEOSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@H](CCN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562958380 302018120 /nfs/dbraw/zinc/01/81/20/302018120.db2.gz CLPGEAWWINBIDX-ZIFCJYIRSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+](C)Cc1ccccc1 ZINC000562958380 302018122 /nfs/dbraw/zinc/01/81/22/302018122.db2.gz CLPGEAWWINBIDX-ZIFCJYIRSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1)[N@@H+](C)Cc1ccccc1 ZINC000562958380 302018125 /nfs/dbraw/zinc/01/81/25/302018125.db2.gz CLPGEAWWINBIDX-ZIFCJYIRSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959059 302018154 /nfs/dbraw/zinc/01/81/54/302018154.db2.gz QDNJHIDSCABAIA-YESZJQIVSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959059 302018157 /nfs/dbraw/zinc/01/81/57/302018157.db2.gz QDNJHIDSCABAIA-YESZJQIVSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959059 302018160 /nfs/dbraw/zinc/01/81/60/302018160.db2.gz QDNJHIDSCABAIA-YESZJQIVSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959059 302018163 /nfs/dbraw/zinc/01/81/63/302018163.db2.gz QDNJHIDSCABAIA-YESZJQIVSA-N 3 1 321.534 2.938 20 0 DFADMP C[N@@H+](C[C@@H](O)CN[C@H]1CCCOc2c(Cl)cccc21)C1CC1 ZINC000562992322 302022293 /nfs/dbraw/zinc/02/22/93/302022293.db2.gz ONYSWRSCHAQPNG-BBRMVZONSA-N 2 1 324.852 2.598 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ncc(C)cc2C)C1 ZINC000563042796 302030020 /nfs/dbraw/zinc/03/00/20/302030020.db2.gz ARHBXVNHZOSRQU-SFHVURJKSA-N 2 1 319.493 2.674 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3(O)CCC3)C2)s1 ZINC000563217388 302051204 /nfs/dbraw/zinc/05/12/04/302051204.db2.gz OSKHLRNLFXQSBD-HNNXBMFYSA-N 2 1 308.491 2.725 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3(O)CCC3)C2)s1 ZINC000563217388 302051205 /nfs/dbraw/zinc/05/12/05/302051205.db2.gz OSKHLRNLFXQSBD-HNNXBMFYSA-N 2 1 308.491 2.725 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3(O)CCC3)C2)s1 ZINC000563217388 302051206 /nfs/dbraw/zinc/05/12/06/302051206.db2.gz OSKHLRNLFXQSBD-HNNXBMFYSA-N 2 1 308.491 2.725 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000564587042 302143644 /nfs/dbraw/zinc/14/36/44/302143644.db2.gz VZVHDZCYVUVQKK-UHOFOFEASA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000564587042 302143646 /nfs/dbraw/zinc/14/36/46/302143646.db2.gz VZVHDZCYVUVQKK-UHOFOFEASA-N 2 1 323.868 2.542 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000564615978 302144325 /nfs/dbraw/zinc/14/43/25/302144325.db2.gz MMIBTWWWOGZXLW-CHWSQXEVSA-N 2 1 309.417 2.754 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000564845042 302163096 /nfs/dbraw/zinc/16/30/96/302163096.db2.gz QWKWXOLBXFJCCD-MRXNPFEDSA-N 2 1 318.465 2.512 20 0 DFADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000564847028 302163698 /nfs/dbraw/zinc/16/36/98/302163698.db2.gz GZYAARXCTIBNKP-YJBOKZPZSA-N 2 1 304.478 2.788 20 0 DFADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000564847028 302163700 /nfs/dbraw/zinc/16/37/00/302163700.db2.gz GZYAARXCTIBNKP-YJBOKZPZSA-N 2 1 304.478 2.788 20 0 DFADMP CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)[N@@H+]1CCc2ccccc2C1 ZINC000565224878 302209664 /nfs/dbraw/zinc/20/96/64/302209664.db2.gz AHJSBTAYKUZDTR-ROUUACIJSA-N 2 1 301.478 2.683 20 0 DFADMP CC(C)(CN[C@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000565224878 302209666 /nfs/dbraw/zinc/20/96/66/302209666.db2.gz AHJSBTAYKUZDTR-ROUUACIJSA-N 2 1 301.478 2.683 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C1CCC(c2ccc(F)cc2)CC1)C1CC1 ZINC000565299118 302216471 /nfs/dbraw/zinc/21/64/71/302216471.db2.gz GWTNVNWQNVRURT-GXOAENINSA-N 2 1 320.452 2.897 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCC(c2ccc(F)cc2)CC1)C1CC1 ZINC000565299118 302216474 /nfs/dbraw/zinc/21/64/74/302216474.db2.gz GWTNVNWQNVRURT-GXOAENINSA-N 2 1 320.452 2.897 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000565949230 302250071 /nfs/dbraw/zinc/25/00/71/302250071.db2.gz SHKZFMNYAGFMOE-INIZCTEOSA-N 2 1 324.494 2.975 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1 ZINC000566294962 302275792 /nfs/dbraw/zinc/27/57/92/302275792.db2.gz HMFUQVDHESECDK-HUUCEWRRSA-N 2 1 305.466 2.774 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351699 302281360 /nfs/dbraw/zinc/28/13/60/302281360.db2.gz YAMAHHAKOHMJNS-HNAYVOBHSA-N 2 1 301.478 2.637 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351699 302281362 /nfs/dbraw/zinc/28/13/62/302281362.db2.gz YAMAHHAKOHMJNS-HNAYVOBHSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351699 302281363 /nfs/dbraw/zinc/28/13/63/302281363.db2.gz YAMAHHAKOHMJNS-HNAYVOBHSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351699 302281365 /nfs/dbraw/zinc/28/13/65/302281365.db2.gz YAMAHHAKOHMJNS-HNAYVOBHSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H]1C ZINC000566351699 302281367 /nfs/dbraw/zinc/28/13/67/302281367.db2.gz YAMAHHAKOHMJNS-HNAYVOBHSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1 ZINC000566413437 302284582 /nfs/dbraw/zinc/28/45/82/302284582.db2.gz FMUCUQAFXWYMRR-SFHVURJKSA-N 2 1 308.441 2.883 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1 ZINC000566413437 302284586 /nfs/dbraw/zinc/28/45/86/302284586.db2.gz FMUCUQAFXWYMRR-SFHVURJKSA-N 2 1 308.441 2.883 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000566413437 302284588 /nfs/dbraw/zinc/28/45/88/302284588.db2.gz FMUCUQAFXWYMRR-SFHVURJKSA-N 2 1 308.441 2.883 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000566413437 302284590 /nfs/dbraw/zinc/28/45/90/302284590.db2.gz FMUCUQAFXWYMRR-SFHVURJKSA-N 2 1 308.441 2.883 20 0 DFADMP Cc1ccncc1[C@@H](C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000271352353 302294763 /nfs/dbraw/zinc/29/47/63/302294763.db2.gz DLLVJNGZWBOHHS-IXDOHACOSA-N 2 1 305.466 2.930 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1cccc(F)c1)C1CCCC1 ZINC000566627830 302300589 /nfs/dbraw/zinc/30/05/89/302300589.db2.gz YAGIEZGHUJWYLT-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1cccc(F)c1)C1CCCC1 ZINC000566627830 302300591 /nfs/dbraw/zinc/30/05/91/302300591.db2.gz YAGIEZGHUJWYLT-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000566627830 302300593 /nfs/dbraw/zinc/30/05/93/302300593.db2.gz YAGIEZGHUJWYLT-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CCCC1 ZINC000566627830 302300596 /nfs/dbraw/zinc/30/05/96/302300596.db2.gz YAGIEZGHUJWYLT-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP C[N@@H+](CCC[NH2+]C[C@@H](O)Cc1ccc(F)cc1)C1CCCCC1 ZINC000566720541 302306402 /nfs/dbraw/zinc/30/64/02/302306402.db2.gz NFHGBUTWBLVIKF-IBGZPJMESA-N 2 1 322.468 2.973 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)Nc1ccn2ccnc2c1 ZINC000567203438 302341981 /nfs/dbraw/zinc/34/19/81/302341981.db2.gz PGTXEZMALNYARP-CQSZACIVSA-N 2 1 315.421 2.576 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CC34CCC(CC3)C4)C2)CC1 ZINC000567440747 302358227 /nfs/dbraw/zinc/35/82/27/302358227.db2.gz HVAWDPQHJLUFBW-JLAWEPINSA-N 2 1 305.510 2.667 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000567505266 302365129 /nfs/dbraw/zinc/36/51/29/302365129.db2.gz RVYXLQROSCTOIL-ACJLOTCBSA-N 2 1 312.417 2.500 20 0 DFADMP Cc1ccc(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c(C)c1 ZINC000567592965 302371523 /nfs/dbraw/zinc/37/15/23/302371523.db2.gz LYMVKVNXKJLMBV-UHFFFAOYSA-N 2 1 302.462 2.630 20 0 DFADMP C[C@@H]1COCC[N@@H+]1C1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000567624307 302374702 /nfs/dbraw/zinc/37/47/02/302374702.db2.gz LJRFFSXYQGFUOL-MDASCCDHSA-N 2 1 318.436 2.867 20 0 DFADMP C[C@@H]1COCC[N@H+]1C1CCN([C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000567624307 302374705 /nfs/dbraw/zinc/37/47/05/302374705.db2.gz LJRFFSXYQGFUOL-MDASCCDHSA-N 2 1 318.436 2.867 20 0 DFADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851579 302392801 /nfs/dbraw/zinc/39/28/01/302392801.db2.gz QEOWMNDWFGCTCV-WMZOPIPTSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H](O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851579 302392804 /nfs/dbraw/zinc/39/28/04/302392804.db2.gz QEOWMNDWFGCTCV-WMZOPIPTSA-N 2 1 302.462 2.934 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567871515 302395135 /nfs/dbraw/zinc/39/51/35/302395135.db2.gz MBCUHZNGTUOANY-SFHVURJKSA-N 2 1 314.408 2.791 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567871515 302395136 /nfs/dbraw/zinc/39/51/36/302395136.db2.gz MBCUHZNGTUOANY-SFHVURJKSA-N 2 1 314.408 2.791 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@H]2CCCC[C@@H]12 ZINC000567897398 302397467 /nfs/dbraw/zinc/39/74/67/302397467.db2.gz FDFDEMDZKXVULK-HTDHLNIYSA-N 2 1 316.489 2.818 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000569000860 302490754 /nfs/dbraw/zinc/49/07/54/302490754.db2.gz OQZWBDVUZNPNJL-CQSZACIVSA-N 2 1 310.869 2.707 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000164601657 315885357 /nfs/dbraw/zinc/88/53/57/315885357.db2.gz SUSGKRFAOXDBFD-UHFFFAOYSA-N 2 1 318.387 2.588 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691719 316190387 /nfs/dbraw/zinc/19/03/87/316190387.db2.gz JDIVAQRXEQGDQL-IXDOHACOSA-N 2 1 323.525 2.780 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691719 316190390 /nfs/dbraw/zinc/19/03/90/316190390.db2.gz JDIVAQRXEQGDQL-IXDOHACOSA-N 2 1 323.525 2.780 20 0 DFADMP C[C@H](NCC[NH+]1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686636 316190484 /nfs/dbraw/zinc/19/04/84/316190484.db2.gz WUECUVXKHWAMCQ-ZWKOTPCHSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686636 316190487 /nfs/dbraw/zinc/19/04/87/316190487.db2.gz WUECUVXKHWAMCQ-ZWKOTPCHSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686636 316190491 /nfs/dbraw/zinc/19/04/91/316190491.db2.gz WUECUVXKHWAMCQ-ZWKOTPCHSA-N 2 1 307.526 2.961 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000309563056 316237194 /nfs/dbraw/zinc/23/71/94/316237194.db2.gz TWVQPOLSKWOSBW-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP C[N@@H+]1CCC[C@@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000309563056 316237202 /nfs/dbraw/zinc/23/72/02/316237202.db2.gz TWVQPOLSKWOSBW-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP C[N@H+]1CCC[C@@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000309563056 316237204 /nfs/dbraw/zinc/23/72/04/316237204.db2.gz TWVQPOLSKWOSBW-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+]1CCC[C@@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309563056 316237206 /nfs/dbraw/zinc/23/72/06/316237206.db2.gz TWVQPOLSKWOSBW-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+]1CCC[C@@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309563056 316237207 /nfs/dbraw/zinc/23/72/07/316237207.db2.gz TWVQPOLSKWOSBW-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000320443386 316253962 /nfs/dbraw/zinc/25/39/62/316253962.db2.gz CRCDEIDKHSHSKF-AEFFLSMTSA-N 2 1 317.477 2.847 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000322156150 316258356 /nfs/dbraw/zinc/25/83/56/316258356.db2.gz ALABXJCUVCIYGG-NJAFHUGGSA-N 2 1 315.461 2.552 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000341514026 316310113 /nfs/dbraw/zinc/31/01/13/316310113.db2.gz VCPJYSBVETWIJR-KFWWJZLASA-N 2 1 317.468 2.672 20 0 DFADMP CCCOc1c(Cl)cc(C[NH2+]C2CC[NH2+]CC2)cc1OC ZINC000414787014 316656724 /nfs/dbraw/zinc/65/67/24/316656724.db2.gz LAZZOAQCJZXLOX-UHFFFAOYSA-N 2 1 312.841 2.979 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@H](C[NH3+])C(C)C)cc1 ZINC000433136959 316879888 /nfs/dbraw/zinc/87/98/88/316879888.db2.gz RNHZYCQTMKPAAW-DYVFJYSZSA-N 2 1 314.433 2.589 20 0 DFADMP COc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000449558003 317044336 /nfs/dbraw/zinc/04/43/36/317044336.db2.gz UJYSNFXFNYJEMX-MQVJKMGUSA-N 2 1 304.434 2.727 20 0 DFADMP COc1cc(C)c(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000449558003 317044340 /nfs/dbraw/zinc/04/43/40/317044340.db2.gz UJYSNFXFNYJEMX-MQVJKMGUSA-N 2 1 304.434 2.727 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000450497400 317098766 /nfs/dbraw/zinc/09/87/66/317098766.db2.gz CDCTWYTYCUUSFJ-XGXHKWSGSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000450497400 317098768 /nfs/dbraw/zinc/09/87/68/317098768.db2.gz CDCTWYTYCUUSFJ-XGXHKWSGSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000450497400 317098771 /nfs/dbraw/zinc/09/87/71/317098771.db2.gz CDCTWYTYCUUSFJ-XGXHKWSGSA-N 2 1 302.462 2.567 20 0 DFADMP C[N@@H+](CCN1CC[C@H]2[C@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000450499281 317099593 /nfs/dbraw/zinc/09/95/93/317099593.db2.gz IYQPYLPEAQIUTK-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCN1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000450499281 317099598 /nfs/dbraw/zinc/09/95/98/317099598.db2.gz IYQPYLPEAQIUTK-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000450499281 317099603 /nfs/dbraw/zinc/09/96/03/317099603.db2.gz IYQPYLPEAQIUTK-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453146611 317164970 /nfs/dbraw/zinc/16/49/70/317164970.db2.gz XIIUPJZVMXUQFX-SJORKVTESA-N 2 1 312.461 2.908 20 0 DFADMP CC(C)OCCOC1CC[NH+]([C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000453354431 317179699 /nfs/dbraw/zinc/17/96/99/317179699.db2.gz JSCXVVDDUVRRLA-DLBZAZTESA-N 2 1 310.482 2.519 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cnn(-c2ccc(F)cc2)c1)C1CC1 ZINC000453590086 317191537 /nfs/dbraw/zinc/19/15/37/317191537.db2.gz AIVAPJZNRDLCBW-UHFFFAOYSA-N 2 1 316.424 2.975 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@H]2C)CC1 ZINC000488420570 317391673 /nfs/dbraw/zinc/39/16/73/317391673.db2.gz WQMITKBMFNWGPN-APWZRJJASA-N 2 1 301.478 2.570 20 0 DFADMP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000572787439 318003752 /nfs/dbraw/zinc/00/37/52/318003752.db2.gz UHJRHLNEQCHJPS-HOTGVXAUSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnn(CC(F)(F)F)c1 ZINC000574510699 318022485 /nfs/dbraw/zinc/02/24/85/318022485.db2.gz TXASKSLOZMCRQC-TZMCWYRMSA-N 2 1 318.387 2.846 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000575316720 318072676 /nfs/dbraw/zinc/07/26/76/318072676.db2.gz RCWUGUHURAGLBE-AWEZNQCLSA-N 2 1 316.424 2.658 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000575981732 318095546 /nfs/dbraw/zinc/09/55/46/318095546.db2.gz XFGWFHYYFADXJV-SJPCQFCGSA-N 2 1 316.449 2.543 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000576911854 318158405 /nfs/dbraw/zinc/15/84/05/318158405.db2.gz UGIJYSYCDGZUGL-IYXRBSQSSA-N 2 1 310.404 2.932 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000576911854 318158407 /nfs/dbraw/zinc/15/84/07/318158407.db2.gz UGIJYSYCDGZUGL-IYXRBSQSSA-N 2 1 310.404 2.932 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000577509344 318198026 /nfs/dbraw/zinc/19/80/26/318198026.db2.gz WDQVHNGUXUUOFG-RLFYNMQTSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000578638813 318275113 /nfs/dbraw/zinc/27/51/13/318275113.db2.gz IPDKPBHEOFWYBR-YPMHNXCESA-N 2 1 302.340 2.939 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000578638813 318275114 /nfs/dbraw/zinc/27/51/14/318275114.db2.gz IPDKPBHEOFWYBR-YPMHNXCESA-N 2 1 302.340 2.939 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000578832263 318287483 /nfs/dbraw/zinc/28/74/83/318287483.db2.gz JSXIIOQWNXFGLT-QXCZDIPSSA-N 2 1 300.446 2.664 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000579258214 318318877 /nfs/dbraw/zinc/31/88/77/318318877.db2.gz GCLFOHVBAGTAAD-AOIWGVFYSA-N 2 1 319.493 2.936 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000579900453 318360421 /nfs/dbraw/zinc/36/04/21/318360421.db2.gz GATMECMJCAYWAW-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000579900453 318360424 /nfs/dbraw/zinc/36/04/24/318360424.db2.gz GATMECMJCAYWAW-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000579900453 318360427 /nfs/dbraw/zinc/36/04/27/318360427.db2.gz GATMECMJCAYWAW-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000580211895 318384764 /nfs/dbraw/zinc/38/47/64/318384764.db2.gz OFCNMNUREDUBNO-ROUUACIJSA-N 2 1 310.457 2.637 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000580211895 318384767 /nfs/dbraw/zinc/38/47/67/318384767.db2.gz OFCNMNUREDUBNO-ROUUACIJSA-N 2 1 310.457 2.637 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000580211895 318384770 /nfs/dbraw/zinc/38/47/70/318384770.db2.gz OFCNMNUREDUBNO-ROUUACIJSA-N 2 1 310.457 2.637 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](Cc1ccc(F)cc1)C(C)C ZINC000580211895 318384771 /nfs/dbraw/zinc/38/47/71/318384771.db2.gz OFCNMNUREDUBNO-ROUUACIJSA-N 2 1 310.457 2.637 20 0 DFADMP CON1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379629017 323289542 /nfs/dbraw/zinc/28/95/42/323289542.db2.gz JSBSWRMWUNFRSQ-LPHOPBHVSA-N 2 1 317.477 2.655 20 0 DFADMP CON1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000379629017 323289544 /nfs/dbraw/zinc/28/95/44/323289544.db2.gz JSBSWRMWUNFRSQ-LPHOPBHVSA-N 2 1 317.477 2.655 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C)N(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000382717854 323301881 /nfs/dbraw/zinc/30/18/81/323301881.db2.gz IIPVDUJTYQHGAC-WSTZPKSXSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000382744600 323302377 /nfs/dbraw/zinc/30/23/77/323302377.db2.gz REOBLROIOFHMAJ-LMMKCTJWSA-N 2 1 301.478 2.581 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000386926478 323320786 /nfs/dbraw/zinc/32/07/86/323320786.db2.gz SIYNMFSNWBOCNX-GOSISDBHSA-N 2 1 301.478 2.773 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[NH2+]CC2)CCC1 ZINC000386926478 323320789 /nfs/dbraw/zinc/32/07/89/323320789.db2.gz SIYNMFSNWBOCNX-GOSISDBHSA-N 2 1 301.478 2.773 20 0 DFADMP C[C@H]([NH3+])CCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000583933292 323937318 /nfs/dbraw/zinc/93/73/18/323937318.db2.gz LUXIZIQNLWIKAS-LBPRGKRZSA-N 2 1 310.467 2.585 20 0 DFADMP C[C@@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000318004467 534030003 /nfs/dbraw/zinc/03/00/03/534030003.db2.gz GWIWZSAYEDEGOT-OLZOCXBDSA-N 2 1 320.462 2.647 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292800320 534201430 /nfs/dbraw/zinc/20/14/30/534201430.db2.gz NPCQJBTTWIEPFC-IBGZPJMESA-N 2 1 310.445 2.913 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292800320 534201437 /nfs/dbraw/zinc/20/14/37/534201437.db2.gz NPCQJBTTWIEPFC-IBGZPJMESA-N 2 1 310.445 2.913 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292800320 534201442 /nfs/dbraw/zinc/20/14/42/534201442.db2.gz NPCQJBTTWIEPFC-IBGZPJMESA-N 2 1 310.445 2.913 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292800320 534201451 /nfs/dbraw/zinc/20/14/51/534201451.db2.gz NPCQJBTTWIEPFC-IBGZPJMESA-N 2 1 310.445 2.913 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000366353576 520005027 /nfs/dbraw/zinc/00/50/27/520005027.db2.gz JZXGXGCRTPQGAN-NVXWUHKLSA-N 2 1 301.434 2.609 20 0 DFADMP CCOc1ccc(OCC[N@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000157479368 521172697 /nfs/dbraw/zinc/17/26/97/521172697.db2.gz JEDSEZRHVTXZSO-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)C2CC[NH+](CC)CC2)cc1 ZINC000157479368 521172703 /nfs/dbraw/zinc/17/27/03/521172703.db2.gz JEDSEZRHVTXZSO-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000365006410 521275427 /nfs/dbraw/zinc/27/54/27/521275427.db2.gz FJKZHVISKSMAPC-SUMDDJOVSA-N 2 1 317.477 2.531 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1ccc(F)cn1)CC2)C1CC1 ZINC000365003740 523026929 /nfs/dbraw/zinc/02/69/29/523026929.db2.gz RIODTGPZTDAGTD-AWEZNQCLSA-N 2 1 303.425 2.917 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000367602238 523977202 /nfs/dbraw/zinc/97/72/02/523977202.db2.gz SABDORVLASNCEE-USXIJHARSA-N 2 1 306.425 2.839 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000367617319 524086022 /nfs/dbraw/zinc/08/60/22/524086022.db2.gz QIKALVPLUXDERH-BZUAXINKSA-N 2 1 304.434 2.666 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000371205842 524531963 /nfs/dbraw/zinc/53/19/63/524531963.db2.gz VMJJALJREMXLAV-MSOLQXFVSA-N 2 1 304.482 2.839 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000371205842 524531973 /nfs/dbraw/zinc/53/19/73/524531973.db2.gz VMJJALJREMXLAV-MSOLQXFVSA-N 2 1 304.482 2.839 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000371205842 524531977 /nfs/dbraw/zinc/53/19/77/524531977.db2.gz VMJJALJREMXLAV-MSOLQXFVSA-N 2 1 304.482 2.839 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000157942985 525268735 /nfs/dbraw/zinc/26/87/35/525268735.db2.gz UJOVAEMLZLABQY-ILXRZTDVSA-N 2 1 323.431 2.863 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000358254789 536481202 /nfs/dbraw/zinc/48/12/02/536481202.db2.gz QEQNSWZMWLHVOY-IKGGRYGDSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccc(Cl)cc2)C1 ZINC000358254789 536481206 /nfs/dbraw/zinc/48/12/06/536481206.db2.gz QEQNSWZMWLHVOY-IKGGRYGDSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247060 536481941 /nfs/dbraw/zinc/48/19/41/536481941.db2.gz HKNIYCHDYMSUSB-MSOLQXFVSA-N 2 1 306.425 2.713 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247060 536481943 /nfs/dbraw/zinc/48/19/43/536481943.db2.gz HKNIYCHDYMSUSB-MSOLQXFVSA-N 2 1 306.425 2.713 20 0 DFADMP Cc1nc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)nc2ccccc12 ZINC000366003936 526840295 /nfs/dbraw/zinc/84/02/95/526840295.db2.gz ZAJYVSKZVOXSKB-HNNXBMFYSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1nc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)nc2ccccc12 ZINC000366003936 526840298 /nfs/dbraw/zinc/84/02/98/526840298.db2.gz ZAJYVSKZVOXSKB-HNNXBMFYSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000163292524 527400093 /nfs/dbraw/zinc/40/00/93/527400093.db2.gz PRDVDECIEFDTJY-DOTOQJQBSA-N 2 1 301.438 2.751 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000163292524 527400103 /nfs/dbraw/zinc/40/01/03/527400103.db2.gz PRDVDECIEFDTJY-DOTOQJQBSA-N 2 1 301.438 2.751 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@H]21 ZINC000309654281 527870565 /nfs/dbraw/zinc/87/05/65/527870565.db2.gz BBKUNBMCHOLJCA-INDMIFKZSA-N 2 1 314.473 2.912 20 0 DFADMP CC[NH+](CC)Cc1cccc(NCc2c[nH+]c(N(C)C)n2C)c1 ZINC000320801714 528197713 /nfs/dbraw/zinc/19/77/13/528197713.db2.gz JTVQQHIGANWFGA-UHFFFAOYSA-N 2 1 315.465 2.940 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C2([NH3+])CCC2)c1 ZINC000294697533 528394830 /nfs/dbraw/zinc/39/48/30/528394830.db2.gz CDURWOTUSOICFZ-UHFFFAOYSA-N 2 1 317.477 2.806 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309886329 528464398 /nfs/dbraw/zinc/46/43/98/528464398.db2.gz LGPLEXWDAXCVNF-MJGOQNOKSA-N 2 1 317.477 2.532 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cc1)C(C)C ZINC000299610119 528774699 /nfs/dbraw/zinc/77/46/99/528774699.db2.gz OJMFUXPOFSVAMM-HNNXBMFYSA-N 2 1 305.466 2.597 20 0 DFADMP CC(C)[N@H+]1CCCN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000297632881 529009140 /nfs/dbraw/zinc/00/91/40/529009140.db2.gz HYZVHAKIZXURQO-LJQANCHMSA-N 2 1 301.478 2.677 20 0 DFADMP CC(C)[NH+]1CCCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297632881 529009144 /nfs/dbraw/zinc/00/91/44/529009144.db2.gz HYZVHAKIZXURQO-LJQANCHMSA-N 2 1 301.478 2.677 20 0 DFADMP CC(C)[NH+]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297632881 529009154 /nfs/dbraw/zinc/00/91/54/529009154.db2.gz HYZVHAKIZXURQO-LJQANCHMSA-N 2 1 301.478 2.677 20 0 DFADMP CC1(C)CC[C@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000294920979 529048469 /nfs/dbraw/zinc/04/84/69/529048469.db2.gz BLQVRXMZPXZMRJ-ROUUACIJSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccs1 ZINC000261924775 535151552 /nfs/dbraw/zinc/15/15/52/535151552.db2.gz KYGQDKJGHVWEEA-ZNMIVQPWSA-N 2 1 308.491 2.772 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cc(Cl)ccc2C)CC1 ZINC000262317559 535458464 /nfs/dbraw/zinc/45/84/64/535458464.db2.gz QMRQNOVWQVLZRB-UHFFFAOYSA-N 2 1 323.868 2.908 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000236938684 535819805 /nfs/dbraw/zinc/81/98/05/535819805.db2.gz OKEMFUPVRKSANY-WBVHZDCISA-N 2 1 317.477 2.703 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000236938684 535819806 /nfs/dbraw/zinc/81/98/06/535819806.db2.gz OKEMFUPVRKSANY-WBVHZDCISA-N 2 1 317.477 2.703 20 0 DFADMP CC[C@H](C)[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197878 535825320 /nfs/dbraw/zinc/82/53/20/535825320.db2.gz ONAVALFEURKSSZ-JKSUJKDBSA-N 2 1 323.525 2.874 20 0 DFADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)[C@H]1CCOC1 ZINC000361216290 535897371 /nfs/dbraw/zinc/89/73/71/535897371.db2.gz LSNOLRDNBNRQER-WMZOPIPTSA-N 2 1 324.509 2.815 20 0 DFADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000261773191 536350191 /nfs/dbraw/zinc/35/01/91/536350191.db2.gz NINLKSZHESULEN-GOEBONIOSA-N 2 1 314.433 2.600 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@](C)(C[NH3+])C1 ZINC000261819339 536480870 /nfs/dbraw/zinc/48/08/70/536480870.db2.gz XQKFELWLOJAAME-IBGZPJMESA-N 2 1 303.494 2.815 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000262555824 536767749 /nfs/dbraw/zinc/76/77/49/536767749.db2.gz UDWDQKLENBPQBW-AAEUAGOBSA-N 2 1 314.376 2.713 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000153784772 536796246 /nfs/dbraw/zinc/79/62/46/536796246.db2.gz SYQCHEJZICTURR-CYBMUJFWSA-N 2 1 314.857 2.968 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(Cl)ccc1OC ZINC000153784772 536796254 /nfs/dbraw/zinc/79/62/54/536796254.db2.gz SYQCHEJZICTURR-CYBMUJFWSA-N 2 1 314.857 2.968 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000368010177 537021964 /nfs/dbraw/zinc/02/19/64/537021964.db2.gz ZDKDYUOSIKXYJN-DOMZBBRYSA-N 2 1 315.392 2.870 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOCC3(CCC3)C2)cc1 ZINC000680650177 545524684 /nfs/dbraw/zinc/52/46/84/545524684.db2.gz BUXJRLFGZQGWNZ-UHFFFAOYSA-N 2 1 318.461 2.630 20 0 DFADMP Cc1nc2c([nH]1)C[C@H](C(=O)Nc1ccc(C[NH+](C)C)cc1)CC2 ZINC000681509106 545656056 /nfs/dbraw/zinc/65/60/56/545656056.db2.gz MHQPZSTYQZZUKM-CQSZACIVSA-N 2 1 312.417 2.523 20 0 DFADMP COc1cc(C)c(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(C)n1 ZINC000681914811 545750707 /nfs/dbraw/zinc/75/07/07/545750707.db2.gz NNTMXYBWKAJSSE-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(C)n1 ZINC000681914811 545750708 /nfs/dbraw/zinc/75/07/08/545750708.db2.gz NNTMXYBWKAJSSE-OAHLLOKOSA-N 2 1 314.433 2.598 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)CC[C@H]1N1CC[NH+](C)CC1 ZINC000682071146 545787350 /nfs/dbraw/zinc/78/73/50/545787350.db2.gz HEOBNMSMPMITJO-AHRSYUTCSA-N 2 1 313.489 2.632 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000682071147 545787696 /nfs/dbraw/zinc/78/76/96/545787696.db2.gz HEOBNMSMPMITJO-LSTHTHJFSA-N 2 1 313.489 2.632 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000682133162 545803001 /nfs/dbraw/zinc/80/30/01/545803001.db2.gz LQNGWTVKWUWPEP-YJBOKZPZSA-N 2 1 320.452 2.990 20 0 DFADMP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)C1 ZINC000682140856 545804164 /nfs/dbraw/zinc/80/41/64/545804164.db2.gz XELPSLXYCXOQMR-RBUKOAKNSA-N 2 1 302.462 2.543 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc3cnccc32)CCCO1 ZINC000683343914 546015943 /nfs/dbraw/zinc/01/59/43/546015943.db2.gz BUEYEKRXXJZTKR-MRXNPFEDSA-N 2 1 313.445 2.825 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)n1 ZINC000683346141 546016321 /nfs/dbraw/zinc/01/63/21/546016321.db2.gz SEFJJUJALQUQML-HOTGVXAUSA-N 2 1 305.466 2.850 20 0 DFADMP Fc1ccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c2ncccc12 ZINC000683473461 546039751 /nfs/dbraw/zinc/03/97/51/546039751.db2.gz WRJUPBJVTSXZDZ-CYBMUJFWSA-N 2 1 310.376 2.923 20 0 DFADMP Fc1ccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c2ncccc12 ZINC000683473462 546039813 /nfs/dbraw/zinc/03/98/13/546039813.db2.gz WRJUPBJVTSXZDZ-ZDUSSCGKSA-N 2 1 310.376 2.923 20 0 DFADMP CCO[C@H]1C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000683694295 546077241 /nfs/dbraw/zinc/07/72/41/546077241.db2.gz SCDOPCMVQPNFRG-ROUUACIJSA-N 2 1 306.425 2.600 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CCn3cc[nH+]c3C1)CC2 ZINC000683720439 546082033 /nfs/dbraw/zinc/08/20/33/546082033.db2.gz LTSOXUYSWLESFQ-WMLDXEAASA-N 2 1 311.429 2.601 20 0 DFADMP C[N@@H+](Cc1scnc1C1CC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000683840036 546106206 /nfs/dbraw/zinc/10/62/06/546106206.db2.gz LWKSWHKQUFJSQF-LBPRGKRZSA-N 2 1 302.447 2.911 20 0 DFADMP C[N@H+](Cc1scnc1C1CC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000683840036 546106209 /nfs/dbraw/zinc/10/62/09/546106209.db2.gz LWKSWHKQUFJSQF-LBPRGKRZSA-N 2 1 302.447 2.911 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000684390991 546208561 /nfs/dbraw/zinc/20/85/61/546208561.db2.gz NBBNBFCPKNDYDY-DLBZAZTESA-N 2 1 310.482 2.569 20 0 DFADMP CO[C@@]1(C)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000684410909 546212315 /nfs/dbraw/zinc/21/23/15/546212315.db2.gz COWGWNVFORFLGA-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CCn1ccnc1CN1CCN(c2ccnc(C)c2Cl)CC1 ZINC000684890967 546297798 /nfs/dbraw/zinc/29/77/98/546297798.db2.gz SISLDCCMAPLREK-UHFFFAOYSA-N 2 1 319.840 2.582 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1F ZINC000685457265 546353979 /nfs/dbraw/zinc/35/39/79/546353979.db2.gz RDQQRZUTIWKYDI-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP C[N@@H+](C[C@@H]1CCOc2ccccc21)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685464977 546356253 /nfs/dbraw/zinc/35/62/53/546356253.db2.gz FXZXSEQYMNTXKW-HOTGVXAUSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@H+](C[C@@H]1CCOc2ccccc21)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685464977 546356255 /nfs/dbraw/zinc/35/62/55/546356255.db2.gz FXZXSEQYMNTXKW-HOTGVXAUSA-N 2 1 311.429 2.944 20 0 DFADMP CN(CCC[N@@H+](C)CC(C)(C)c1ccccc1)CC[NH+](C)C ZINC000685475856 546358980 /nfs/dbraw/zinc/35/89/80/546358980.db2.gz QRAKCRLSGXTIIV-UHFFFAOYSA-N 2 1 305.510 2.780 20 0 DFADMP CCC[C@@]1(CO)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685477482 546359424 /nfs/dbraw/zinc/35/94/24/546359424.db2.gz LMXAIBAERCZQOJ-LJQANCHMSA-N 2 1 320.477 2.612 20 0 DFADMP CC(C)[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566929 546367507 /nfs/dbraw/zinc/36/75/07/546367507.db2.gz RVZKXINFXRFYTB-IEBWSBKVSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@@H]1c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566929 546367510 /nfs/dbraw/zinc/36/75/10/546367510.db2.gz RVZKXINFXRFYTB-IEBWSBKVSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685566929 546367512 /nfs/dbraw/zinc/36/75/12/546367512.db2.gz RVZKXINFXRFYTB-IEBWSBKVSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566929 546367515 /nfs/dbraw/zinc/36/75/15/546367515.db2.gz RVZKXINFXRFYTB-IEBWSBKVSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)(O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278356224 214112316 /nfs/dbraw/zinc/11/23/16/214112316.db2.gz BAHKCQQHQKVIOU-NNZMDNLPSA-N 2 1 302.462 2.933 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278383623 214131414 /nfs/dbraw/zinc/13/14/14/214131414.db2.gz CLJBISUOKHRTTR-IRXDYDNUSA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278383623 214131418 /nfs/dbraw/zinc/13/14/18/214131418.db2.gz CLJBISUOKHRTTR-IRXDYDNUSA-N 2 1 320.477 2.717 20 0 DFADMP CCn1cncc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309715859 231102063 /nfs/dbraw/zinc/10/20/63/231102063.db2.gz LTJFXSRHGUETFO-WMZOPIPTSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cncc1C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309715859 231102067 /nfs/dbraw/zinc/10/20/67/231102067.db2.gz LTJFXSRHGUETFO-WMZOPIPTSA-N 2 1 312.461 2.903 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278728548 214359229 /nfs/dbraw/zinc/35/92/29/214359229.db2.gz WETJUBYCAYQWFL-HZPDHXFCSA-N 2 1 306.450 2.847 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278728548 214359233 /nfs/dbraw/zinc/35/92/33/214359233.db2.gz WETJUBYCAYQWFL-HZPDHXFCSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@H](C[NH2+]Cc1cc(F)cc(Br)c1)C[NH+](C)C ZINC000310166781 231112355 /nfs/dbraw/zinc/11/23/55/231112355.db2.gz SIUVXIGLPCITLO-SNVBAGLBSA-N 2 1 303.219 2.876 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2CCc3ccccc3C2)CCCO1 ZINC000278737340 214365044 /nfs/dbraw/zinc/36/50/44/214365044.db2.gz WNUXAHCHJPCFEP-LPHOPBHVSA-N 2 1 302.462 2.634 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3ccccc3C2)CCCO1 ZINC000278737340 214365048 /nfs/dbraw/zinc/36/50/48/214365048.db2.gz WNUXAHCHJPCFEP-LPHOPBHVSA-N 2 1 302.462 2.634 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000317830421 231165049 /nfs/dbraw/zinc/16/50/49/231165049.db2.gz WHZGXWJCGXCCCW-OTWHNJEPSA-N 2 1 300.446 2.899 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000317830421 231165051 /nfs/dbraw/zinc/16/50/51/231165051.db2.gz WHZGXWJCGXCCCW-OTWHNJEPSA-N 2 1 300.446 2.899 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[NH2+]C[C@H]2c2cccc(F)c2)c1 ZINC000261763039 536691778 /nfs/dbraw/zinc/69/17/78/536691778.db2.gz RHCUMSYXTOMNTO-SFHVURJKSA-N 2 1 315.392 2.684 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066050779 398356955 /nfs/dbraw/zinc/35/69/55/398356955.db2.gz DNFKNUAQGXTLCV-SOLBZPMBSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000066050779 398356959 /nfs/dbraw/zinc/35/69/59/398356959.db2.gz DNFKNUAQGXTLCV-SOLBZPMBSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@@H]1CCCN(CC[N@H+](C)Cc2ccc(F)cc2)CC1 ZINC000375945885 282187700 /nfs/dbraw/zinc/18/77/00/282187700.db2.gz HBVJGACMIQWACN-GOSISDBHSA-N 2 1 307.457 2.674 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000591906358 398350076 /nfs/dbraw/zinc/35/00/76/398350076.db2.gz LKIWUFPRYOIGLB-DOTOQJQBSA-N 2 1 320.481 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000591906358 398350078 /nfs/dbraw/zinc/35/00/78/398350078.db2.gz LKIWUFPRYOIGLB-DOTOQJQBSA-N 2 1 320.481 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C1 ZINC000591906358 398350080 /nfs/dbraw/zinc/35/00/80/398350080.db2.gz LKIWUFPRYOIGLB-DOTOQJQBSA-N 2 1 320.481 2.721 20 0 DFADMP CCc1oc2ccccc2c1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000591909216 398351060 /nfs/dbraw/zinc/35/10/60/398351060.db2.gz WDACDZQFWZDHBI-UHFFFAOYSA-N 2 1 302.418 2.542 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[N@@H+](CCO)[C@@H](C)C1 ZINC000302344017 529491333 /nfs/dbraw/zinc/49/13/33/529491333.db2.gz APBWHQSILLEFIE-AWEZNQCLSA-N 2 1 313.445 2.608 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000081633062 398364338 /nfs/dbraw/zinc/36/43/38/398364338.db2.gz FQBCNPWHAZEVJC-KRWDZBQOSA-N 2 1 315.461 2.679 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000081633062 398364344 /nfs/dbraw/zinc/36/43/44/398364344.db2.gz FQBCNPWHAZEVJC-KRWDZBQOSA-N 2 1 315.461 2.679 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000081633062 398364346 /nfs/dbraw/zinc/36/43/46/398364346.db2.gz FQBCNPWHAZEVJC-KRWDZBQOSA-N 2 1 315.461 2.679 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633834 398364384 /nfs/dbraw/zinc/36/43/84/398364384.db2.gz AMWURIKMUHKECS-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccccc1OCC[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081633834 398364388 /nfs/dbraw/zinc/36/43/88/398364388.db2.gz AMWURIKMUHKECS-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccccc1OCC[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081633834 398364393 /nfs/dbraw/zinc/36/43/93/398364393.db2.gz AMWURIKMUHKECS-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccccc1OCC[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633834 398364396 /nfs/dbraw/zinc/36/43/96/398364396.db2.gz AMWURIKMUHKECS-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2)C1 ZINC000081633066 398364403 /nfs/dbraw/zinc/36/44/03/398364403.db2.gz FQBCNPWHAZEVJC-QGZVFWFLSA-N 2 1 315.461 2.679 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2)C1 ZINC000081633066 398364408 /nfs/dbraw/zinc/36/44/08/398364408.db2.gz FQBCNPWHAZEVJC-QGZVFWFLSA-N 2 1 315.461 2.679 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2)C1 ZINC000081633066 398364413 /nfs/dbraw/zinc/36/44/13/398364413.db2.gz FQBCNPWHAZEVJC-QGZVFWFLSA-N 2 1 315.461 2.679 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236762889 398364822 /nfs/dbraw/zinc/36/48/22/398364822.db2.gz KBRCNLNNMJXXKG-FUHWJXTLSA-N 2 1 317.477 2.657 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCOCC(F)(F)F)C1 ZINC000081631293 398363262 /nfs/dbraw/zinc/36/32/62/398363262.db2.gz CWOBJZOTPSBXDR-AWEZNQCLSA-N 2 1 308.388 2.619 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCOCC(F)(F)F)C1 ZINC000081631293 398363265 /nfs/dbraw/zinc/36/32/65/398363265.db2.gz CWOBJZOTPSBXDR-AWEZNQCLSA-N 2 1 308.388 2.619 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCOCC(F)(F)F)C1 ZINC000081631293 398363267 /nfs/dbraw/zinc/36/32/67/398363267.db2.gz CWOBJZOTPSBXDR-AWEZNQCLSA-N 2 1 308.388 2.619 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081631127 398363434 /nfs/dbraw/zinc/36/34/34/398363434.db2.gz RCRRUCVIEBUZBP-KRWDZBQOSA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081631127 398363437 /nfs/dbraw/zinc/36/34/37/398363437.db2.gz RCRRUCVIEBUZBP-KRWDZBQOSA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081631127 398363440 /nfs/dbraw/zinc/36/34/40/398363440.db2.gz RCRRUCVIEBUZBP-KRWDZBQOSA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081631127 398363443 /nfs/dbraw/zinc/36/34/43/398363443.db2.gz RCRRUCVIEBUZBP-KRWDZBQOSA-N 2 1 316.445 2.637 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237031797 398366931 /nfs/dbraw/zinc/36/69/31/398366931.db2.gz APZMSZLZHSIRBW-ZWKOTPCHSA-N 2 1 317.477 2.847 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000459345690 299084254 /nfs/dbraw/zinc/08/42/54/299084254.db2.gz WECITSAFIPSRJY-UFYCRDLUSA-N 2 1 313.489 2.502 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000245608063 282203549 /nfs/dbraw/zinc/20/35/49/282203549.db2.gz KPLMPAHXFPBHPY-IBGZPJMESA-N 2 1 312.461 2.960 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000245608063 282203550 /nfs/dbraw/zinc/20/35/50/282203550.db2.gz KPLMPAHXFPBHPY-IBGZPJMESA-N 2 1 312.461 2.960 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1C[C@@H]1c1ccccc1 ZINC000355218359 282215800 /nfs/dbraw/zinc/21/58/00/282215800.db2.gz HSXNRLPNUUETLU-UTBUEMAESA-N 2 1 314.473 2.974 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC(=O)N(C3CC3)C2)cc1 ZINC000090181374 185285354 /nfs/dbraw/zinc/28/53/54/185285354.db2.gz SEZPNLAAUMHNQW-XJKSGUPXSA-N 2 1 324.428 2.595 20 0 DFADMP CCc1nc(C)c([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)s1 ZINC000305117036 529729101 /nfs/dbraw/zinc/72/91/01/529729101.db2.gz IIFNAPCPFHRWRJ-GFCCVEGCSA-N 2 1 311.495 2.511 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC[N@H+]1C ZINC000181555557 199316844 /nfs/dbraw/zinc/31/68/44/199316844.db2.gz AFKIHRLDPSCWNF-SZMVWBNQSA-N 2 1 304.478 2.861 20 0 DFADMP C[N@@H+](CCc1nc(C2([NH3+])CCCCC2)no1)C1CCCCC1 ZINC000584774710 398410849 /nfs/dbraw/zinc/41/08/49/398410849.db2.gz NKPJFRWCIIJYBG-UHFFFAOYSA-N 2 1 306.454 2.995 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc2c(c1)CCCC2 ZINC000292869944 529887809 /nfs/dbraw/zinc/88/78/09/529887809.db2.gz WHZMBYHRBYAYCO-UHFFFAOYSA-N 2 1 315.505 2.635 20 0 DFADMP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000592379375 398418983 /nfs/dbraw/zinc/41/89/83/398418983.db2.gz MNTKZLDTDJXLBL-QXSJWSMHSA-N 2 1 308.466 2.713 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433658 398425308 /nfs/dbraw/zinc/42/53/08/398425308.db2.gz OBQCAKCFLCEMDL-QZTJIDSGSA-N 2 1 316.445 2.685 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000309750643 529889397 /nfs/dbraw/zinc/88/93/97/529889397.db2.gz ZFUOZGFDOBPDCR-ROUUACIJSA-N 2 1 317.477 2.532 20 0 DFADMP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000586763959 398454792 /nfs/dbraw/zinc/45/47/92/398454792.db2.gz JLVMUIWZUCGRTF-CVEARBPZSA-N 2 1 319.449 2.712 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999381 530059515 /nfs/dbraw/zinc/05/95/15/530059515.db2.gz OSDGZZLKMBEOFE-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999381 530059516 /nfs/dbraw/zinc/05/95/16/530059516.db2.gz OSDGZZLKMBEOFE-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)C1 ZINC000292999381 530059517 /nfs/dbraw/zinc/05/95/17/530059517.db2.gz OSDGZZLKMBEOFE-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cncs1 ZINC000272743152 210146869 /nfs/dbraw/zinc/14/68/69/210146869.db2.gz LJVGOFFNSOIEJK-CJNGLKHVSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cncs1 ZINC000272743152 210146876 /nfs/dbraw/zinc/14/68/76/210146876.db2.gz LJVGOFFNSOIEJK-CJNGLKHVSA-N 2 1 317.458 2.561 20 0 DFADMP Cn1c[nH+]cc1CCN1CC[C@](F)(c2cc(F)cc(F)c2)C1 ZINC000459461398 299112128 /nfs/dbraw/zinc/11/21/28/299112128.db2.gz UAUZZYVBBUCEAN-MRXNPFEDSA-N 2 1 309.335 2.812 20 0 DFADMP CCC[C@H]([NH2+]C1CCN(C2CC2)CC1)c1nnc2ccccn21 ZINC000459473394 299115542 /nfs/dbraw/zinc/11/55/42/299115542.db2.gz XUDGRHFYYLVDMX-INIZCTEOSA-N 2 1 313.449 2.787 20 0 DFADMP CC(C)[N@H+](C)CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155733494 535010777 /nfs/dbraw/zinc/01/07/77/535010777.db2.gz DFYTTYQQJPTNEF-INIZCTEOSA-N 2 1 307.482 2.618 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155733494 535010781 /nfs/dbraw/zinc/01/07/81/535010781.db2.gz DFYTTYQQJPTNEF-INIZCTEOSA-N 2 1 307.482 2.618 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cncc(F)c1 ZINC000090522728 398488658 /nfs/dbraw/zinc/48/86/58/398488658.db2.gz ZTAVMWMOIDEUNV-VHSSKADRSA-N 2 1 321.440 2.639 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000588200480 398488902 /nfs/dbraw/zinc/48/89/02/398488902.db2.gz AVTYGORVSBAUJC-HNNXBMFYSA-N 2 1 307.438 2.890 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCc2cccc(OC)c2)[C@H](C)C1 ZINC000090806496 398493166 /nfs/dbraw/zinc/49/31/66/398493166.db2.gz ZOEFIKPFZWHDSI-CRAIPNDOSA-N 2 1 306.450 2.532 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000090911313 398496825 /nfs/dbraw/zinc/49/68/25/398496825.db2.gz SULWTAPPARYECR-YCPHGPKFSA-N 2 1 314.433 2.770 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H](C)C1 ZINC000090911875 398497102 /nfs/dbraw/zinc/49/71/02/398497102.db2.gz PGSUGYDUDGUQFE-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H](C)C1 ZINC000090911875 398497106 /nfs/dbraw/zinc/49/71/06/398497106.db2.gz PGSUGYDUDGUQFE-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000090936490 398497187 /nfs/dbraw/zinc/49/71/87/398497187.db2.gz CXCGYLUWINUHOG-ZOBUZTSGSA-N 2 1 320.477 2.812 20 0 DFADMP C[C@H](CCO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000272705148 210109765 /nfs/dbraw/zinc/10/97/65/210109765.db2.gz UAYMNQAZOVREFG-XGXHKWSGSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000588686701 398503936 /nfs/dbraw/zinc/50/39/36/398503936.db2.gz FELXIDNQVSUSNF-RWQQGDIJSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000588686701 398503938 /nfs/dbraw/zinc/50/39/38/398503938.db2.gz FELXIDNQVSUSNF-RWQQGDIJSA-N 2 1 304.478 2.894 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000181941510 199366103 /nfs/dbraw/zinc/36/61/03/199366103.db2.gz FEJCJNXPBMIXIG-ZFWWWQNUSA-N 2 1 301.434 2.780 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000236813706 535044271 /nfs/dbraw/zinc/04/42/71/535044271.db2.gz CSXGMJGKRKFJOK-YCPHGPKFSA-N 2 1 323.506 2.765 20 0 DFADMP Oc1cccc(C[NH2+][C@H]2CCc3[nH]cnc3C2)c1Br ZINC000459564021 299134912 /nfs/dbraw/zinc/13/49/12/299134912.db2.gz PONHCQKXXHZQFU-JTQLQIEISA-N 2 1 322.206 2.525 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272646128 210051450 /nfs/dbraw/zinc/05/14/50/210051450.db2.gz JDVCOJVRWJMXKH-JQHSSLGASA-N 2 1 304.478 2.894 20 0 DFADMP O[C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000286888297 219211187 /nfs/dbraw/zinc/21/11/87/219211187.db2.gz CWMCPFBQDRPGLT-WOJBJXKFSA-N 2 1 316.489 2.977 20 0 DFADMP CCOC(=O)CCCCC[N@@H+](C)C[C@@H]1CCn2ccnc2C1 ZINC000589262270 398542095 /nfs/dbraw/zinc/54/20/95/398542095.db2.gz VPLADWDMLBXVDZ-OAHLLOKOSA-N 2 1 307.438 2.501 20 0 DFADMP CCOC(=O)CCCCC[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000589262270 398542097 /nfs/dbraw/zinc/54/20/97/398542097.db2.gz VPLADWDMLBXVDZ-OAHLLOKOSA-N 2 1 307.438 2.501 20 0 DFADMP CCOC(=O)CCCCC[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000589262270 398542098 /nfs/dbraw/zinc/54/20/98/398542098.db2.gz VPLADWDMLBXVDZ-OAHLLOKOSA-N 2 1 307.438 2.501 20 0 DFADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(F)c1 ZINC000321315800 398552930 /nfs/dbraw/zinc/55/29/30/398552930.db2.gz DUXUMIMKJZLWNR-IRXDYDNUSA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(F)c1 ZINC000321315800 398552934 /nfs/dbraw/zinc/55/29/34/398552934.db2.gz DUXUMIMKJZLWNR-IRXDYDNUSA-N 2 1 319.424 2.761 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1Cl ZINC000597045595 398554468 /nfs/dbraw/zinc/55/44/68/398554468.db2.gz ANJKKKICBCHWEN-ZDUSSCGKSA-N 2 1 324.852 2.948 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000597047077 398554819 /nfs/dbraw/zinc/55/48/19/398554819.db2.gz OBHBAUSAYSTBKU-KBPBESRZSA-N 2 1 322.836 2.843 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000597047077 398554823 /nfs/dbraw/zinc/55/48/23/398554823.db2.gz OBHBAUSAYSTBKU-KBPBESRZSA-N 2 1 322.836 2.843 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc1Cl ZINC000597059051 398557841 /nfs/dbraw/zinc/55/78/41/398557841.db2.gz PLHVHUAKHYJZEC-CYBMUJFWSA-N 2 1 310.825 2.558 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000597059051 398557844 /nfs/dbraw/zinc/55/78/44/398557844.db2.gz PLHVHUAKHYJZEC-CYBMUJFWSA-N 2 1 310.825 2.558 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2[nH]nc3ccccc32)C[C@H](C)O1 ZINC000589646237 398568473 /nfs/dbraw/zinc/56/84/73/398568473.db2.gz QOTGSGBIJBACFD-GASCZTMLSA-N 2 1 316.449 2.542 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C(C)C)C2)cc1Cl ZINC000597131797 398572761 /nfs/dbraw/zinc/57/27/61/398572761.db2.gz YONSUFJETBKLRU-AWEZNQCLSA-N 2 1 324.852 2.947 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1Cl ZINC000597131797 398572763 /nfs/dbraw/zinc/57/27/63/398572763.db2.gz YONSUFJETBKLRU-AWEZNQCLSA-N 2 1 324.852 2.947 20 0 DFADMP Fc1ccc(N2CC[C@@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000414350646 295791053 /nfs/dbraw/zinc/79/10/53/295791053.db2.gz QTFHJRWXAMDYIP-MRXNPFEDSA-N 2 1 303.425 2.621 20 0 DFADMP C[C@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](Cc2cnc3n2CCC3)C1 ZINC000597152673 398576750 /nfs/dbraw/zinc/57/67/50/398576750.db2.gz CBDBHYIANAUPDO-KBPBESRZSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@H]1C[C@H](C(=O)OC(C)(C)C)CN(Cc2cnc3n2CCC3)C1 ZINC000597152673 398576756 /nfs/dbraw/zinc/57/67/56/398576756.db2.gz CBDBHYIANAUPDO-KBPBESRZSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459666303 299159288 /nfs/dbraw/zinc/15/92/88/299159288.db2.gz RKFVSKXUZQCLPN-WMZOPIPTSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459666303 299159289 /nfs/dbraw/zinc/15/92/89/299159289.db2.gz RKFVSKXUZQCLPN-WMZOPIPTSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459666300 299159722 /nfs/dbraw/zinc/15/97/22/299159722.db2.gz RKFVSKXUZQCLPN-AEFFLSMTSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cn(C)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459666300 299159725 /nfs/dbraw/zinc/15/97/25/299159725.db2.gz RKFVSKXUZQCLPN-AEFFLSMTSA-N 2 1 312.461 2.605 20 0 DFADMP O[C@@H]1CCCCC[C@H]1[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000287092748 219307209 /nfs/dbraw/zinc/30/72/09/219307209.db2.gz PMVOOFFLQSPAOC-RTBURBONSA-N 2 1 302.462 2.934 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000092885777 398604123 /nfs/dbraw/zinc/60/41/23/398604123.db2.gz OVZFSYCUGIKTOR-AWEZNQCLSA-N 2 1 316.453 2.893 20 0 DFADMP COC(=O)C(C)(C)[C@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000093280167 398627235 /nfs/dbraw/zinc/62/72/35/398627235.db2.gz PGRRJJJTHICYAP-INIZCTEOSA-N 2 1 321.465 2.883 20 0 DFADMP COC(=O)C(C)(C)[C@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000093280167 398627238 /nfs/dbraw/zinc/62/72/38/398627238.db2.gz PGRRJJJTHICYAP-INIZCTEOSA-N 2 1 321.465 2.883 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000155663714 186100693 /nfs/dbraw/zinc/10/06/93/186100693.db2.gz CCBQFJKZWRUCTL-VQIMIIECSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H]1C[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000155663714 186100695 /nfs/dbraw/zinc/10/06/95/186100695.db2.gz CCBQFJKZWRUCTL-VQIMIIECSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H]1C[C@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000155663714 186100696 /nfs/dbraw/zinc/10/06/96/186100696.db2.gz CCBQFJKZWRUCTL-VQIMIIECSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H]1C[C@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000155663714 186100698 /nfs/dbraw/zinc/10/06/98/186100698.db2.gz CCBQFJKZWRUCTL-VQIMIIECSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@@H]1C[C@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000155663714 186100700 /nfs/dbraw/zinc/10/07/00/186100700.db2.gz CCBQFJKZWRUCTL-VQIMIIECSA-N 2 1 315.505 2.896 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000175701606 186189762 /nfs/dbraw/zinc/18/97/62/186189762.db2.gz TVEKZWZHCNOKRZ-UHFFFAOYSA-N 2 1 306.454 2.602 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537442 398640481 /nfs/dbraw/zinc/64/04/81/398640481.db2.gz JUIGTCAZRWEQRQ-BZUAXINKSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537442 398640486 /nfs/dbraw/zinc/64/04/86/398640486.db2.gz JUIGTCAZRWEQRQ-BZUAXINKSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537442 398640490 /nfs/dbraw/zinc/64/04/90/398640490.db2.gz JUIGTCAZRWEQRQ-BZUAXINKSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000093537442 398640495 /nfs/dbraw/zinc/64/04/95/398640495.db2.gz JUIGTCAZRWEQRQ-BZUAXINKSA-N 2 1 302.466 2.623 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc2c(c1)CC(=O)N2C ZINC000268739125 186373451 /nfs/dbraw/zinc/37/34/51/186373451.db2.gz PEGAGXSPHYIDAB-AWEZNQCLSA-N 2 1 303.450 2.588 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000268754006 186379882 /nfs/dbraw/zinc/37/98/82/186379882.db2.gz YVZKTEUGQFDVQA-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268754006 186379884 /nfs/dbraw/zinc/37/98/84/186379884.db2.gz YVZKTEUGQFDVQA-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268754006 186379886 /nfs/dbraw/zinc/37/98/86/186379886.db2.gz YVZKTEUGQFDVQA-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP COCCOCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268755772 186380056 /nfs/dbraw/zinc/38/00/56/186380056.db2.gz XLIZYHGEADBTTN-PKOBYXMFSA-N 2 1 320.477 2.682 20 0 DFADMP COCCOCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268755772 186380058 /nfs/dbraw/zinc/38/00/58/186380058.db2.gz XLIZYHGEADBTTN-PKOBYXMFSA-N 2 1 320.477 2.682 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000459725956 299174089 /nfs/dbraw/zinc/17/40/89/299174089.db2.gz FSSVTXWNSIPOKB-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459730583 299174804 /nfs/dbraw/zinc/17/48/04/299174804.db2.gz KSDTXGZNWMQZKQ-MISYRCLQSA-N 2 1 315.505 2.828 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)C2 ZINC000459733028 299175451 /nfs/dbraw/zinc/17/54/51/299175451.db2.gz GFEIBQOZKPDAGD-WBVHZDCISA-N 2 1 302.462 2.874 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ncc(Br)s1 ZINC000414804249 295821025 /nfs/dbraw/zinc/82/10/25/295821025.db2.gz OLUMNVBINBMTKE-IUCAKERBSA-N 2 1 304.257 2.513 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)s1 ZINC000459732054 299176013 /nfs/dbraw/zinc/17/60/13/299176013.db2.gz LZTXTJTXXWIIGY-AWEZNQCLSA-N 2 1 310.511 2.811 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000459734301 299176518 /nfs/dbraw/zinc/17/65/18/299176518.db2.gz OKTLQMQYOZWAIA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000414825747 295822704 /nfs/dbraw/zinc/82/27/04/295822704.db2.gz UHVJDIXXSMTMJS-YPMHNXCESA-N 2 1 310.825 2.604 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](C)Cc2ccccc2)CC1 ZINC000182038383 199378112 /nfs/dbraw/zinc/37/81/12/199378112.db2.gz VFQKRSMJBQNYQY-QZTJIDSGSA-N 2 1 318.505 2.890 20 0 DFADMP FC(F)(F)COc1ccccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414841872 295824788 /nfs/dbraw/zinc/82/47/88/295824788.db2.gz ZLSHKNKLSOYKNB-LBPRGKRZSA-N 2 1 302.340 2.717 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1Cl ZINC000096624892 398660527 /nfs/dbraw/zinc/66/05/27/398660527.db2.gz XFFFLLKLLKLHLK-UHFFFAOYSA-N 2 1 309.841 2.682 20 0 DFADMP C[C@H]([NH2+]Cc1sccc1Br)[C@@H]1CCC[NH2+]C1 ZINC000414859533 295827577 /nfs/dbraw/zinc/82/75/77/295827577.db2.gz ULBQEXVWRCKOGL-VHSXEESVSA-N 2 1 303.269 2.988 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)cnc21 ZINC000459746964 299180486 /nfs/dbraw/zinc/18/04/86/299180486.db2.gz ZITOCQJLPMLMFP-HNNXBMFYSA-N 2 1 315.465 2.834 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000280077226 215359332 /nfs/dbraw/zinc/35/93/32/215359332.db2.gz YBCDJABGLSRFSV-UHFFFAOYSA-N 2 1 318.461 2.830 20 0 DFADMP Cc1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000386762560 398664717 /nfs/dbraw/zinc/66/47/17/398664717.db2.gz FSLUZMGPNTUGHP-HZPDHXFCSA-N 2 1 303.406 2.867 20 0 DFADMP Cc1c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000386762560 398664721 /nfs/dbraw/zinc/66/47/21/398664721.db2.gz FSLUZMGPNTUGHP-HZPDHXFCSA-N 2 1 303.406 2.867 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C[C@@H]1C ZINC000593647345 398664901 /nfs/dbraw/zinc/66/49/01/398664901.db2.gz XPECNBJOPFZKAI-YESZJQIVSA-N 2 1 312.498 2.922 20 0 DFADMP FC(F)(F)COc1ccccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414902244 295832567 /nfs/dbraw/zinc/83/25/67/295832567.db2.gz HHIQOWJQMIMOSD-CYBMUJFWSA-N 2 1 302.340 2.859 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc(Cl)c1OC ZINC000414936110 295837544 /nfs/dbraw/zinc/83/75/44/295837544.db2.gz BGXNMUNYOARLJE-FZMZJTMJSA-N 2 1 312.841 2.835 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414980539 295843636 /nfs/dbraw/zinc/84/36/36/295843636.db2.gz PPOILMAHDZYINK-SECBINFHSA-N 2 1 323.181 2.877 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414996671 295845220 /nfs/dbraw/zinc/84/52/20/295845220.db2.gz GQHJLTIFPUTBQW-LLVKDONJSA-N 2 1 324.400 2.540 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1F ZINC000414997463 295845212 /nfs/dbraw/zinc/84/52/12/295845212.db2.gz HSSAOLOYFKWUMX-GFCCVEGCSA-N 2 1 302.340 2.559 20 0 DFADMP c1ccc(COc2cccc(C[NH+]3C[C@H]4C[NH2+]C[C@@H]4C3)c2)cc1 ZINC000394428519 398678129 /nfs/dbraw/zinc/67/81/29/398678129.db2.gz VYABGXUIXQQBNQ-RTBURBONSA-N 2 1 308.425 2.917 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000397981321 398682607 /nfs/dbraw/zinc/68/26/07/398682607.db2.gz MQEQQBYYPACACJ-UZLBHIALSA-N 2 1 320.440 2.953 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000397981321 398682608 /nfs/dbraw/zinc/68/26/08/398682608.db2.gz MQEQQBYYPACACJ-UZLBHIALSA-N 2 1 320.440 2.953 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000173363482 198207230 /nfs/dbraw/zinc/20/72/30/198207230.db2.gz VQMRQKXIVSOGQE-APWZRJJASA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H](C)C1 ZINC000173363482 198207232 /nfs/dbraw/zinc/20/72/32/198207232.db2.gz VQMRQKXIVSOGQE-APWZRJJASA-N 2 1 312.461 2.751 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]CCC[NH2+]C1CC1 ZINC000415063759 295853585 /nfs/dbraw/zinc/85/35/85/295853585.db2.gz AUFANJNVNKIEOY-UHFFFAOYSA-N 2 1 316.424 2.860 20 0 DFADMP CCOc1cc(C[NH2+]CCC[NH2+]C2CC2)cc(Cl)c1OC ZINC000415071306 295854379 /nfs/dbraw/zinc/85/43/79/295854379.db2.gz SLNLFZFJYOCEJJ-UHFFFAOYSA-N 2 1 312.841 2.979 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415070864 295854537 /nfs/dbraw/zinc/85/45/37/295854537.db2.gz VREHCFFPAOYZHS-UGSOOPFHSA-N 2 1 300.450 2.991 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000415081955 295855689 /nfs/dbraw/zinc/85/56/89/295855689.db2.gz LAYDMVNVZMLFSF-YPMHNXCESA-N 2 1 317.355 2.643 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](CCc2nc(-c3ccccc3)no2)C1 ZINC000173903081 198266714 /nfs/dbraw/zinc/26/67/14/198266714.db2.gz ZOKHFFHCCDCXSZ-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCc2nc(-c3ccccc3)no2)C1 ZINC000173903081 198266715 /nfs/dbraw/zinc/26/67/15/198266715.db2.gz ZOKHFFHCCDCXSZ-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000173903081 198266717 /nfs/dbraw/zinc/26/67/17/198266717.db2.gz ZOKHFFHCCDCXSZ-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000173903081 198266719 /nfs/dbraw/zinc/26/67/19/198266719.db2.gz ZOKHFFHCCDCXSZ-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cs1 ZINC000415119272 295860439 /nfs/dbraw/zinc/86/04/39/295860439.db2.gz FFCHCQLHRIKUDL-JKSUJKDBSA-N 2 1 323.506 2.985 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]Cc1cncnc1 ZINC000174451878 198336450 /nfs/dbraw/zinc/33/64/50/198336450.db2.gz ADHFMEBURZHSQC-UHFFFAOYSA-N 2 1 322.412 2.991 20 0 DFADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000355790048 299211093 /nfs/dbraw/zinc/21/10/93/299211093.db2.gz HRXFRWYECGELJL-ATLSCFEFSA-N 2 1 317.477 2.524 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000074067213 398721546 /nfs/dbraw/zinc/72/15/46/398721546.db2.gz PZWSTSVBQNVGNR-MRXNPFEDSA-N 2 1 320.481 2.729 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000074067213 398721548 /nfs/dbraw/zinc/72/15/48/398721548.db2.gz PZWSTSVBQNVGNR-MRXNPFEDSA-N 2 1 320.481 2.729 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[C@@H]2CC[NH2+]C2)cc1 ZINC000130382030 283047717 /nfs/dbraw/zinc/04/77/17/283047717.db2.gz UEKKCVCDVJOAOV-WBVHZDCISA-N 2 1 315.461 2.999 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000130564433 283052692 /nfs/dbraw/zinc/05/26/92/283052692.db2.gz JBMCAVWAPPRPIA-OWCLPIDISA-N 2 1 320.481 2.691 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000130564433 283052698 /nfs/dbraw/zinc/05/26/98/283052698.db2.gz JBMCAVWAPPRPIA-OWCLPIDISA-N 2 1 320.481 2.691 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000130933478 283066652 /nfs/dbraw/zinc/06/66/52/283066652.db2.gz QOWDXHAJBSSJQC-DOTOQJQBSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@@H]1CCCC[C@@H]1C ZINC000130933478 283066656 /nfs/dbraw/zinc/06/66/56/283066656.db2.gz QOWDXHAJBSSJQC-DOTOQJQBSA-N 2 1 320.481 2.551 20 0 DFADMP CC(C)c1cc(N(C)CC[C@H]2CCCC[N@@H+]2C)nc(N(C)C)[nH+]1 ZINC000463083952 299234349 /nfs/dbraw/zinc/23/43/49/299234349.db2.gz MSMQTCXFOHGLMA-OAHLLOKOSA-N 2 1 319.497 2.977 20 0 DFADMP CC(C)c1cc(N(C)CC[C@H]2CCCC[N@H+]2C)nc(N(C)C)[nH+]1 ZINC000463083952 299234351 /nfs/dbraw/zinc/23/43/51/299234351.db2.gz MSMQTCXFOHGLMA-OAHLLOKOSA-N 2 1 319.497 2.977 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)CC(C)(C)C ZINC000463372592 299237056 /nfs/dbraw/zinc/23/70/56/299237056.db2.gz SZLHCXHVUBPRTF-KRWDZBQOSA-N 2 1 319.493 2.774 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2nnc(-c3ccco3)o2)CC1 ZINC000047977839 398766905 /nfs/dbraw/zinc/76/69/05/398766905.db2.gz KODYUCYMGIRHOX-UHFFFAOYSA-N 2 1 318.421 2.883 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000081516814 192277403 /nfs/dbraw/zinc/27/74/03/192277403.db2.gz JOKBWGZOQNRHDN-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(NC(C)=O)c2)C1 ZINC000081516814 192277406 /nfs/dbraw/zinc/27/74/06/192277406.db2.gz JOKBWGZOQNRHDN-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000081516814 192277409 /nfs/dbraw/zinc/27/74/09/192277409.db2.gz JOKBWGZOQNRHDN-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(NC(C)=O)c2)C1 ZINC000081516814 192277411 /nfs/dbraw/zinc/27/74/11/192277411.db2.gz JOKBWGZOQNRHDN-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2SC)C1 ZINC000236901720 202061440 /nfs/dbraw/zinc/06/14/40/202061440.db2.gz YALPTRLBZBISBC-ZDUSSCGKSA-N 2 1 324.490 2.857 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(OC)c(OC)cc2SC)C1 ZINC000236901720 202061443 /nfs/dbraw/zinc/06/14/43/202061443.db2.gz YALPTRLBZBISBC-ZDUSSCGKSA-N 2 1 324.490 2.857 20 0 DFADMP CC[C@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000134577433 283193019 /nfs/dbraw/zinc/19/30/19/283193019.db2.gz DTFIBWMINNJROL-LJQANCHMSA-N 2 1 321.509 2.633 20 0 DFADMP CCC(CC)[N@H+](CC(=O)NC1CC[NH+](CC)CC1)CC(C)C ZINC000464891954 299248723 /nfs/dbraw/zinc/24/87/23/299248723.db2.gz HJYXIFMQYLEYEF-UHFFFAOYSA-N 2 1 311.514 2.734 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1)C(C)C ZINC000236995192 202114159 /nfs/dbraw/zinc/11/41/59/202114159.db2.gz UYIRWNLXTWPMPB-KRWDZBQOSA-N 2 1 317.477 2.646 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000138252142 283256728 /nfs/dbraw/zinc/25/67/28/283256728.db2.gz FWKHLPAFPWPBNS-CVEARBPZSA-N 2 1 318.490 2.835 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000138252142 283256730 /nfs/dbraw/zinc/25/67/30/283256730.db2.gz FWKHLPAFPWPBNS-CVEARBPZSA-N 2 1 318.490 2.835 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000591893765 398804205 /nfs/dbraw/zinc/80/42/05/398804205.db2.gz VNHNRTAPJWSDES-QBYUYEEZSA-N 2 1 318.465 2.616 20 0 DFADMP CCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)OCC ZINC000179755186 199076676 /nfs/dbraw/zinc/07/66/76/199076676.db2.gz DBMSPAZRHFHGPL-QGZVFWFLSA-N 2 1 319.449 2.619 20 0 DFADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000075743632 398821032 /nfs/dbraw/zinc/82/10/32/398821032.db2.gz WFBUZBICZJPOTL-DLBZAZTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000075743632 398821034 /nfs/dbraw/zinc/82/10/34/398821034.db2.gz WFBUZBICZJPOTL-DLBZAZTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000075743632 398821038 /nfs/dbraw/zinc/82/10/38/398821038.db2.gz WFBUZBICZJPOTL-DLBZAZTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000075743632 398821041 /nfs/dbraw/zinc/82/10/41/398821041.db2.gz WFBUZBICZJPOTL-DLBZAZTESA-N 2 1 310.482 2.915 20 0 DFADMP CC[C@@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180164548 199125184 /nfs/dbraw/zinc/12/51/84/199125184.db2.gz RTVHIXHQPCSCDJ-INDMIFKZSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000467613378 299274064 /nfs/dbraw/zinc/27/40/64/299274064.db2.gz LTINSLFITNSWFO-IRXDYDNUSA-N 2 1 323.525 2.734 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]3C=C[C@H]2C3)C1 ZINC000180998724 199238596 /nfs/dbraw/zinc/23/85/96/199238596.db2.gz UIIBQTIFNBAXCB-GJJHYRHESA-N 2 1 312.457 2.555 20 0 DFADMP CN(C)c1nc(N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc[nH+]1 ZINC000077217181 398889666 /nfs/dbraw/zinc/88/96/66/398889666.db2.gz WFWBACTZBHAIQM-INIZCTEOSA-N 2 1 317.481 2.635 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c1C ZINC000598959996 398897582 /nfs/dbraw/zinc/89/75/82/398897582.db2.gz PGTLEZVHTNNTEW-HNNXBMFYSA-N 2 1 321.465 2.628 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)CC1(C)C ZINC000598985857 398903599 /nfs/dbraw/zinc/90/35/99/398903599.db2.gz BMSDTGBFHHXPOV-AWEZNQCLSA-N 2 1 310.482 2.961 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@H]2CCC[C@@H]21 ZINC000595098124 398904775 /nfs/dbraw/zinc/90/47/75/398904775.db2.gz AUCJZVWRIQIZAG-PMPSAXMXSA-N 2 1 322.493 2.961 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000187096981 200060607 /nfs/dbraw/zinc/06/06/07/200060607.db2.gz GNNRLRQQGNEDOH-MRXNPFEDSA-N 2 1 318.461 2.679 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccccc2C(=O)OC)C1 ZINC000187096981 200060608 /nfs/dbraw/zinc/06/06/08/200060608.db2.gz GNNRLRQQGNEDOH-MRXNPFEDSA-N 2 1 318.461 2.679 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@@H](C)Cn2cc[nH+]c2C)CC1 ZINC000599028655 398909963 /nfs/dbraw/zinc/90/99/63/398909963.db2.gz ZDTGUBLLEVBBOA-IUDNXUCKSA-N 2 1 307.438 2.539 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000237519656 202268730 /nfs/dbraw/zinc/26/87/30/202268730.db2.gz XZAMSJKPMYJAIV-UIBIWLFHSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@H]1C[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C[N@H+]1Cc1ccccc1 ZINC000237534552 202273672 /nfs/dbraw/zinc/27/36/72/202273672.db2.gz CDRGRKDFEZUIRS-HNAYVOBHSA-N 2 1 323.440 2.538 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2)C1 ZINC000237676253 202325917 /nfs/dbraw/zinc/32/59/17/202325917.db2.gz VFNCLYNQUMBLCA-XJKSGUPXSA-N 2 1 319.474 2.520 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CSC[NH2+]3)cc2)C1 ZINC000237676253 202325921 /nfs/dbraw/zinc/32/59/21/202325921.db2.gz VFNCLYNQUMBLCA-XJKSGUPXSA-N 2 1 319.474 2.520 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[NH2+]3)cc2)C1 ZINC000237675943 202326104 /nfs/dbraw/zinc/32/61/04/202326104.db2.gz BBYCLUNQXBPGKC-YJBOKZPZSA-N 2 1 315.461 2.999 20 0 DFADMP FC(F)COCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000188770697 200301052 /nfs/dbraw/zinc/30/10/52/200301052.db2.gz PARGFAUZPQKFDR-UHFFFAOYSA-N 2 1 312.404 2.565 20 0 DFADMP OC1(c2ccccc2)CC[NH+](CCC[NH+]2CCCCC2)CC1 ZINC000189207097 200363859 /nfs/dbraw/zinc/36/38/59/200363859.db2.gz SGCXOANMCHLDCK-UHFFFAOYSA-N 2 1 302.462 2.846 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc2nc(C)ccc2c1 ZINC000189250524 200369647 /nfs/dbraw/zinc/36/96/47/200369647.db2.gz WNOAZLNRTBNKRN-UHFFFAOYSA-N 2 1 301.434 2.601 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125071554 291217888 /nfs/dbraw/zinc/21/78/88/291217888.db2.gz MLHDBDCHMWWXNJ-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000125071554 291217891 /nfs/dbraw/zinc/21/78/91/291217891.db2.gz MLHDBDCHMWWXNJ-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@@H](C)C[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000125071554 291217893 /nfs/dbraw/zinc/21/78/93/291217893.db2.gz MLHDBDCHMWWXNJ-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP C[C@@H](NCC1([NH+](C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417356341 296013509 /nfs/dbraw/zinc/01/35/09/296013509.db2.gz PFVPUVGQLAZYEE-AEFFLSMTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)C)CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417356341 296013510 /nfs/dbraw/zinc/01/35/10/296013510.db2.gz PFVPUVGQLAZYEE-AEFFLSMTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417356341 296013513 /nfs/dbraw/zinc/01/35/13/296013513.db2.gz PFVPUVGQLAZYEE-AEFFLSMTSA-N 2 1 301.478 2.581 20 0 DFADMP C[N@@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4ccsc43)CC2)C1 ZINC000078262912 398944786 /nfs/dbraw/zinc/94/47/86/398944786.db2.gz YLJRGIHNPCKHAO-AWEZNQCLSA-N 2 1 316.474 2.513 20 0 DFADMP C[N@H+]1CCC[C@H](N2CCN(c3cc[nH+]c4ccsc43)CC2)C1 ZINC000078262912 398944788 /nfs/dbraw/zinc/94/47/88/398944788.db2.gz YLJRGIHNPCKHAO-AWEZNQCLSA-N 2 1 316.474 2.513 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCCCC(=O)OC(C)(C)C)C2 ZINC000595504972 398952034 /nfs/dbraw/zinc/95/20/34/398952034.db2.gz NZMDMQIMYUGTAP-GOSISDBHSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCCCC(=O)OC(C)(C)C)C2 ZINC000595504972 398952037 /nfs/dbraw/zinc/95/20/37/398952037.db2.gz NZMDMQIMYUGTAP-GOSISDBHSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCCCC(=O)OC(C)(C)C)C2 ZINC000595504972 398952041 /nfs/dbraw/zinc/95/20/41/398952041.db2.gz NZMDMQIMYUGTAP-GOSISDBHSA-N 2 1 310.482 2.916 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC000599306364 398951523 /nfs/dbraw/zinc/95/15/23/398951523.db2.gz ZWECIROMOFHOKV-KRWDZBQOSA-N 2 1 303.450 2.951 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000599306364 398951525 /nfs/dbraw/zinc/95/15/25/398951525.db2.gz ZWECIROMOFHOKV-KRWDZBQOSA-N 2 1 303.450 2.951 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCSCC(C)C)CC1 ZINC000595510478 398953866 /nfs/dbraw/zinc/95/38/66/398953866.db2.gz CMZNSPKXFSFUJI-UHFFFAOYSA-N 2 1 316.555 2.838 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCCCC(=O)OC(C)(C)C)C2 ZINC000595504973 398952292 /nfs/dbraw/zinc/95/22/92/398952292.db2.gz NZMDMQIMYUGTAP-SFHVURJKSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCCCC(=O)OC(C)(C)C)C2 ZINC000595504973 398952295 /nfs/dbraw/zinc/95/22/95/398952295.db2.gz NZMDMQIMYUGTAP-SFHVURJKSA-N 2 1 310.482 2.916 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCCCC(=O)OC(C)(C)C)C2 ZINC000595504973 398952298 /nfs/dbraw/zinc/95/22/98/398952298.db2.gz NZMDMQIMYUGTAP-SFHVURJKSA-N 2 1 310.482 2.916 20 0 DFADMP CN1c2ccc(C[N@H+](C)CCC[NH+]3CCCC3)cc2CCC1=O ZINC000281337932 216232884 /nfs/dbraw/zinc/23/28/84/216232884.db2.gz SKSFUVSTEGWTJH-UHFFFAOYSA-N 2 1 315.461 2.513 20 0 DFADMP CN1c2ccc(C[N@@H+](C)CCC[NH+]3CCCC3)cc2CCC1=O ZINC000281337932 216232885 /nfs/dbraw/zinc/23/28/85/216232885.db2.gz SKSFUVSTEGWTJH-UHFFFAOYSA-N 2 1 315.461 2.513 20 0 DFADMP COc1cccc(C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)c1 ZINC000271897516 209306459 /nfs/dbraw/zinc/30/64/59/209306459.db2.gz UQTPMRJMHYKEJX-IBGZPJMESA-N 2 1 300.446 2.868 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2cccc(Br)n2)CC[N@H+]1C ZINC000292592070 223163210 /nfs/dbraw/zinc/16/32/10/223163210.db2.gz VGWAOSAVKZGLMA-AAEUAGOBSA-N 2 1 312.255 2.759 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2cccc(Br)n2)CC[N@H+]1C ZINC000292592078 223163463 /nfs/dbraw/zinc/16/34/63/223163463.db2.gz VGWAOSAVKZGLMA-WCQYABFASA-N 2 1 312.255 2.759 20 0 DFADMP CC[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCCO2 ZINC000271896508 209305891 /nfs/dbraw/zinc/30/58/91/209305891.db2.gz UIGHZTWGCXPAJY-MRXNPFEDSA-N 2 1 302.418 2.760 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@]4(CC[NH+](C)C4)C3)s2)cn1 ZINC000292777789 223242022 /nfs/dbraw/zinc/24/20/22/223242022.db2.gz LBVGUIIWGCSFKT-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@]4(CC[NH+](C)C4)C3)s2)cn1 ZINC000292777789 223242023 /nfs/dbraw/zinc/24/20/23/223242023.db2.gz LBVGUIIWGCSFKT-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@H+](C)C4)C3)s2)cn1 ZINC000292777789 223242024 /nfs/dbraw/zinc/24/20/24/223242024.db2.gz LBVGUIIWGCSFKT-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP Cn1cc(-c2ccc(C[NH+]3CC[C@@]4(CC[N@@H+](C)C4)C3)s2)cn1 ZINC000292777789 223242025 /nfs/dbraw/zinc/24/20/25/223242025.db2.gz LBVGUIIWGCSFKT-QGZVFWFLSA-N 2 1 316.474 2.676 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)s2)CC1 ZINC000271868186 209281415 /nfs/dbraw/zinc/28/14/15/209281415.db2.gz WSZTZJLSXGRMRX-UHFFFAOYSA-N 2 1 301.253 2.862 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2C[NH+](C)C[C@@H]2C1 ZINC000194539850 201246460 /nfs/dbraw/zinc/24/64/60/201246460.db2.gz AYVABPJJCBIIGO-KDURUIRLSA-N 2 1 315.505 2.638 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000194539850 201246463 /nfs/dbraw/zinc/24/64/63/201246463.db2.gz AYVABPJJCBIIGO-KDURUIRLSA-N 2 1 315.505 2.638 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000194539850 201246467 /nfs/dbraw/zinc/24/64/67/201246467.db2.gz AYVABPJJCBIIGO-KDURUIRLSA-N 2 1 315.505 2.638 20 0 DFADMP [NH3+][C@@H](CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000167717198 398995349 /nfs/dbraw/zinc/99/53/49/398995349.db2.gz YCLMDTLMUPNBRM-AEFFLSMTSA-N 2 1 315.461 2.600 20 0 DFADMP C[C@H]1CCC[C@]1(O)C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000292903090 223300413 /nfs/dbraw/zinc/30/04/13/223300413.db2.gz DXUAGRHVTKBFNE-LPHOPBHVSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1NC(C)=O ZINC000271842305 209259968 /nfs/dbraw/zinc/25/99/68/209259968.db2.gz GXIRUUJHYKTXCL-ZDUSSCGKSA-N 2 1 317.433 2.566 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Br)ccc2F)CC1 ZINC000271840939 209259807 /nfs/dbraw/zinc/25/98/07/209259807.db2.gz QWMANUGTLDTHNT-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842368 209260304 /nfs/dbraw/zinc/26/03/04/209260304.db2.gz GYERYDGLSNFVGX-AWEZNQCLSA-N 2 1 302.418 2.760 20 0 DFADMP CCn1cncc1C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000417901463 296062001 /nfs/dbraw/zinc/06/20/01/296062001.db2.gz NSOWAQQURLBTBG-GOSISDBHSA-N 2 1 312.461 2.557 20 0 DFADMP CCn1cncc1C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000417901463 296062002 /nfs/dbraw/zinc/06/20/02/296062002.db2.gz NSOWAQQURLBTBG-GOSISDBHSA-N 2 1 312.461 2.557 20 0 DFADMP CCn1cncc1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000417998534 296070378 /nfs/dbraw/zinc/07/03/78/296070378.db2.gz TXHATPXXOHUCIO-HNNXBMFYSA-N 2 1 313.449 2.734 20 0 DFADMP CCn1cncc1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000417998534 296070379 /nfs/dbraw/zinc/07/03/79/296070379.db2.gz TXHATPXXOHUCIO-HNNXBMFYSA-N 2 1 313.449 2.734 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2cncn2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579775 399019467 /nfs/dbraw/zinc/01/94/67/399019467.db2.gz BZNMYFSZXWUFBS-HOCLYGCPSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579775 399019473 /nfs/dbraw/zinc/01/94/73/399019473.db2.gz BZNMYFSZXWUFBS-HOCLYGCPSA-N 2 1 321.465 2.652 20 0 DFADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000275341200 212280188 /nfs/dbraw/zinc/28/01/88/212280188.db2.gz XDNHLQGMBUHFHU-DOTOQJQBSA-N 2 1 316.445 2.582 20 0 DFADMP COC(=O)C1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000275341200 212280191 /nfs/dbraw/zinc/28/01/91/212280191.db2.gz XDNHLQGMBUHFHU-DOTOQJQBSA-N 2 1 316.445 2.582 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccccc2)C2CC2)CC1 ZINC000091333622 193041593 /nfs/dbraw/zinc/04/15/93/193041593.db2.gz FNAWGUXOMAYRKV-IBGZPJMESA-N 2 1 301.478 2.755 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000092043296 193146682 /nfs/dbraw/zinc/14/66/82/193146682.db2.gz ZXJHHCZRZOGICO-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043296 193146683 /nfs/dbraw/zinc/14/66/83/193146683.db2.gz ZXJHHCZRZOGICO-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000092043296 193146685 /nfs/dbraw/zinc/14/66/85/193146685.db2.gz ZXJHHCZRZOGICO-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CCCc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000621716182 399044123 /nfs/dbraw/zinc/04/41/23/399044123.db2.gz UYXSVPZUCLAWPK-MRXNPFEDSA-N 2 1 321.534 2.912 20 0 DFADMP CCCc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000621716182 399044129 /nfs/dbraw/zinc/04/41/29/399044129.db2.gz UYXSVPZUCLAWPK-MRXNPFEDSA-N 2 1 321.534 2.912 20 0 DFADMP COC(=O)[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@@H]2CCC[C@H]21 ZINC000599651422 399045537 /nfs/dbraw/zinc/04/55/37/399045537.db2.gz BIGREHMILKXHDT-GVDBMIGSSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H]2CCC[C@H]21 ZINC000599651422 399045545 /nfs/dbraw/zinc/04/55/45/399045545.db2.gz BIGREHMILKXHDT-GVDBMIGSSA-N 2 1 319.449 2.635 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000478633203 299368623 /nfs/dbraw/zinc/36/86/23/299368623.db2.gz QCLXCUYRCMVMGF-ZDUSSCGKSA-N 2 1 324.494 2.626 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000478633203 299368626 /nfs/dbraw/zinc/36/86/26/299368626.db2.gz QCLXCUYRCMVMGF-ZDUSSCGKSA-N 2 1 324.494 2.626 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000621749880 399065516 /nfs/dbraw/zinc/06/55/16/399065516.db2.gz DRGWTBWUJDKMTI-CRAIPNDOSA-N 2 1 313.445 2.558 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CC1 ZINC000271768625 209197974 /nfs/dbraw/zinc/19/79/74/209197974.db2.gz BDFKCJVZENSHSI-UHFFFAOYSA-N 2 1 300.381 2.567 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cncc(Cl)c2)C1 ZINC000621776829 399074656 /nfs/dbraw/zinc/07/46/56/399074656.db2.gz XJJDUJKXRJQQDJ-PMPSAXMXSA-N 2 1 309.841 2.596 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cncc(Cl)c2)C1 ZINC000621776826 399075773 /nfs/dbraw/zinc/07/57/73/399075773.db2.gz XJJDUJKXRJQQDJ-BZUAXINKSA-N 2 1 309.841 2.596 20 0 DFADMP CCc1ccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000479856833 299384142 /nfs/dbraw/zinc/38/41/42/299384142.db2.gz ZQUSJUIYOXUYFG-LZQZEXGQSA-N 2 1 303.494 2.782 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253690 193180449 /nfs/dbraw/zinc/18/04/49/193180449.db2.gz SKMDUOIKSNNTBF-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCC[NH+](C)C1 ZINC000092253690 193180451 /nfs/dbraw/zinc/18/04/51/193180451.db2.gz SKMDUOIKSNNTBF-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253690 193180453 /nfs/dbraw/zinc/18/04/53/193180453.db2.gz SKMDUOIKSNNTBF-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccc(F)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253690 193180455 /nfs/dbraw/zinc/18/04/55/193180455.db2.gz SKMDUOIKSNNTBF-AWEZNQCLSA-N 2 1 316.424 2.989 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275140525 212146368 /nfs/dbraw/zinc/14/63/68/212146368.db2.gz RLMUSIKGXREWJD-NQYYFHDYSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)[C@@H](C)C[N@@H+]1CCO ZINC000418996561 296123408 /nfs/dbraw/zinc/12/34/08/296123408.db2.gz FKXLPHRVEVFNDA-OLZOCXBDSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)[C@@H](C)C[N@H+]1CCO ZINC000418996561 296123409 /nfs/dbraw/zinc/12/34/09/296123409.db2.gz FKXLPHRVEVFNDA-OLZOCXBDSA-N 2 1 319.836 2.780 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000480826547 299390345 /nfs/dbraw/zinc/39/03/45/299390345.db2.gz KOPGFZBUEQWKOH-YZGWKJHDSA-N 2 1 317.521 2.869 20 0 DFADMP CC(C)(C)CN1CCC[C@@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000419296225 296132822 /nfs/dbraw/zinc/13/28/22/296132822.db2.gz RMZGLGFHTUJWFA-QGZVFWFLSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000261786659 203117050 /nfs/dbraw/zinc/11/70/50/203117050.db2.gz SOILJWYCTHNAEN-SOLBZPMBSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@H]1C[N@@H+](CC2(C[NH+]3C[C@@H](C)[C@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375253 296137821 /nfs/dbraw/zinc/13/78/21/296137821.db2.gz RGBJFOGAWHUZMQ-ONTMVUMWSA-N 2 1 308.510 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2(C[N@@H+]3C[C@@H](C)[C@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375253 296137823 /nfs/dbraw/zinc/13/78/23/296137823.db2.gz RGBJFOGAWHUZMQ-ONTMVUMWSA-N 2 1 308.510 2.956 20 0 DFADMP C[C@H]1C[NH+](CC2(C[N@H+]3C[C@@H](C)[C@H](C)[C@H]3C)COC2)[C@@H](C)[C@H]1C ZINC000419375253 296137825 /nfs/dbraw/zinc/13/78/25/296137825.db2.gz RGBJFOGAWHUZMQ-ONTMVUMWSA-N 2 1 308.510 2.956 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(-n2cncn2)c(C)c1 ZINC000174350576 399110843 /nfs/dbraw/zinc/11/08/43/399110843.db2.gz WYRHTGSOQGOJGF-AWEZNQCLSA-N 2 1 324.432 2.507 20 0 DFADMP C[C@H](CCNC(=O)[C@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000262282943 203250181 /nfs/dbraw/zinc/25/01/81/203250181.db2.gz LJGRVHGMECPJSP-NJAFHUGGSA-N 2 1 317.477 2.531 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000262334114 203265963 /nfs/dbraw/zinc/26/59/63/203265963.db2.gz WIIMGKBQLZXYKW-LPHOPBHVSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000262624566 203354486 /nfs/dbraw/zinc/35/44/86/203354486.db2.gz AWFJTNCLDVCVQS-ZFWWWQNUSA-N 2 1 301.434 2.868 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)c2C1 ZINC000262624566 203354489 /nfs/dbraw/zinc/35/44/89/203354489.db2.gz AWFJTNCLDVCVQS-ZFWWWQNUSA-N 2 1 301.434 2.868 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)C1 ZINC000262653753 203366460 /nfs/dbraw/zinc/36/64/60/203366460.db2.gz BQMQUJMZZVXFOH-OAHLLOKOSA-N 2 1 315.461 2.857 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895935 399126597 /nfs/dbraw/zinc/12/65/97/399126597.db2.gz WQYQEMGVJSXBHF-CABCVRRESA-N 2 1 322.474 2.746 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCCCOC)c2)C1 ZINC000093770748 193302774 /nfs/dbraw/zinc/30/27/74/193302774.db2.gz RCTCLQJLQCYLAP-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc(OCCCOC)c2)C1 ZINC000093770748 193302776 /nfs/dbraw/zinc/30/27/76/193302776.db2.gz RCTCLQJLQCYLAP-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000093770748 193302778 /nfs/dbraw/zinc/30/27/78/193302778.db2.gz RCTCLQJLQCYLAP-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc(OCCCOC)c2)C1 ZINC000093770748 193302780 /nfs/dbraw/zinc/30/27/80/193302780.db2.gz RCTCLQJLQCYLAP-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1cccnc1 ZINC000093660148 193284439 /nfs/dbraw/zinc/28/44/39/193284439.db2.gz FPSWWJNJNIKNMA-KRWDZBQOSA-N 2 1 313.449 2.778 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1cccnc1 ZINC000093660148 193284442 /nfs/dbraw/zinc/28/44/42/193284442.db2.gz FPSWWJNJNIKNMA-KRWDZBQOSA-N 2 1 313.449 2.778 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1cccnc1 ZINC000093660148 193284444 /nfs/dbraw/zinc/28/44/44/193284444.db2.gz FPSWWJNJNIKNMA-KRWDZBQOSA-N 2 1 313.449 2.778 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1cccnc1 ZINC000093660148 193284446 /nfs/dbraw/zinc/28/44/46/193284446.db2.gz FPSWWJNJNIKNMA-KRWDZBQOSA-N 2 1 313.449 2.778 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1cc(C)cc(C[NH+](C)C)c1 ZINC000340332880 284177050 /nfs/dbraw/zinc/17/70/50/284177050.db2.gz IQNVWSRXUPBGQT-KRWDZBQOSA-N 2 1 303.450 2.870 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)c(F)c2)CC1 ZINC000094070000 193343593 /nfs/dbraw/zinc/34/35/93/193343593.db2.gz HCGMVZKDOBRBTK-UHFFFAOYSA-N 2 1 300.805 2.809 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C[C@@H]1c1ccccc1 ZINC000340398395 284180039 /nfs/dbraw/zinc/18/00/39/284180039.db2.gz ZTSGSQGXNXIJNC-JTDSTZFVSA-N 3 1 310.445 2.692 20 0 DFADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340401477 284180964 /nfs/dbraw/zinc/18/09/64/284180964.db2.gz RAMAZGGGXZQRCM-CVEARBPZSA-N 2 1 316.474 2.814 20 0 DFADMP Cc1nnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340401477 284180967 /nfs/dbraw/zinc/18/09/67/284180967.db2.gz RAMAZGGGXZQRCM-CVEARBPZSA-N 2 1 316.474 2.814 20 0 DFADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000340525393 284188987 /nfs/dbraw/zinc/18/89/87/284188987.db2.gz IYHNXOKQOJZLJJ-KRWDZBQOSA-N 2 1 319.493 2.553 20 0 DFADMP Brc1ccc2[nH+]ccc(NC[C@@H]3CCC[NH2+]C3)c2c1 ZINC000420169252 296160042 /nfs/dbraw/zinc/16/00/42/296160042.db2.gz LYOICCONTIPZDI-LLVKDONJSA-N 2 1 320.234 2.831 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000341007976 284227998 /nfs/dbraw/zinc/22/79/98/284227998.db2.gz JSECZKNANLVNPL-AEFFLSMTSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000341007976 284227999 /nfs/dbraw/zinc/22/79/99/284227999.db2.gz JSECZKNANLVNPL-AEFFLSMTSA-N 2 1 322.497 2.691 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)CC2CC[NH+](C)CC2)c1C ZINC000600117244 399141696 /nfs/dbraw/zinc/14/16/96/399141696.db2.gz IUYYHJLWIMWLPS-UHFFFAOYSA-N 2 1 321.465 2.582 20 0 DFADMP [NH3+]C[C@@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000420202342 296162048 /nfs/dbraw/zinc/16/20/48/296162048.db2.gz PQERCFPHRXPUKO-NSHDSACASA-N 2 1 306.207 2.925 20 0 DFADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1(C)C ZINC000484753651 299418925 /nfs/dbraw/zinc/41/89/25/299418925.db2.gz IUJSREGSWCMEAK-HSFUPAIVSA-N 2 1 324.509 2.717 20 0 DFADMP C[C@H]1[C@@H]([NH3+])CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000420250152 296165626 /nfs/dbraw/zinc/16/56/26/296165626.db2.gz JTDGKUOBYYLNKS-CABZTGNLSA-N 2 1 306.207 2.923 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2nnc(-c3ccccc3)o2)CC1 ZINC000341197745 284249370 /nfs/dbraw/zinc/24/93/70/284249370.db2.gz XGNMIZXLFWPTHY-UHFFFAOYSA-N 2 1 300.406 2.510 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420295694 296170551 /nfs/dbraw/zinc/17/05/51/296170551.db2.gz VYPUHQJVYIMODJ-VXGBXAGGSA-N 2 1 300.805 2.917 20 0 DFADMP OCCC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCc2ccccc21 ZINC000420295335 296170663 /nfs/dbraw/zinc/17/06/63/296170663.db2.gz CFJAKNYHLNVXDA-LPHOPBHVSA-N 2 1 302.462 2.748 20 0 DFADMP c1ccc2cc(C[N@H+](CCN3CC[NH2+]CC3)C3CC3)ccc2c1 ZINC000420296882 296170975 /nfs/dbraw/zinc/17/09/75/296170975.db2.gz CJZYEWXNTZLTSE-UHFFFAOYSA-N 2 1 309.457 2.709 20 0 DFADMP CC[C@@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420297150 296170979 /nfs/dbraw/zinc/17/09/79/296170979.db2.gz FOSMVSBBYXMNCG-RBUKOAKNSA-N 2 1 301.478 2.550 20 0 DFADMP CCS[C@@H]1CCCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299232 296171167 /nfs/dbraw/zinc/17/11/67/296171167.db2.gz ILGPRGVYSQOHBW-SQNIBIBYSA-N 2 1 322.518 2.525 20 0 DFADMP Fc1cccc(F)c1C[N@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000420302010 296171703 /nfs/dbraw/zinc/17/17/03/296171703.db2.gz LUNVCVRMSQGAPP-UHFFFAOYSA-N 2 1 323.431 2.615 20 0 DFADMP Fc1cccc(F)c1C[N@@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000420302010 296171704 /nfs/dbraw/zinc/17/17/04/296171704.db2.gz LUNVCVRMSQGAPP-UHFFFAOYSA-N 2 1 323.431 2.615 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000341619291 284270428 /nfs/dbraw/zinc/27/04/28/284270428.db2.gz SWYWHWYVJLGTCR-MRXNPFEDSA-N 2 1 317.477 2.670 20 0 DFADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@H](C[NH3+])c2ccc(OC)cc2)C1(C)C ZINC000420302541 296171887 /nfs/dbraw/zinc/17/18/87/296171887.db2.gz MNCIJHQXCUNIQH-RYQLBKOJSA-N 2 1 320.477 2.873 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420301505 296171897 /nfs/dbraw/zinc/17/18/97/296171897.db2.gz FDPRVZVOCKDJFB-QSPRXWTASA-N 2 1 315.461 2.635 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000420301505 296171898 /nfs/dbraw/zinc/17/18/98/296171898.db2.gz FDPRVZVOCKDJFB-QSPRXWTASA-N 2 1 315.461 2.635 20 0 DFADMP COC(=O)CCC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420304596 296172028 /nfs/dbraw/zinc/17/20/28/296172028.db2.gz FDFLAYBHKWDVBG-MSOLQXFVSA-N 2 1 318.461 2.612 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1cccc(Cl)c1 ZINC000420304095 296172331 /nfs/dbraw/zinc/17/23/31/296172331.db2.gz KUXCEYFKQBBLPL-CYBMUJFWSA-N 2 1 309.841 2.600 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000420308125 296173080 /nfs/dbraw/zinc/17/30/80/296173080.db2.gz SAXMPOASLYKLPE-PKOBYXMFSA-N 2 1 318.461 2.630 20 0 DFADMP Fc1ccc(CN2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000420311479 296173306 /nfs/dbraw/zinc/17/33/06/296173306.db2.gz VZQJIGAHZOUOCS-QGZVFWFLSA-N 2 1 319.468 2.723 20 0 DFADMP CC[C@H](C)[C@H]1CCCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420310975 296173426 /nfs/dbraw/zinc/17/34/26/296173426.db2.gz VPOOUZVJCGJLSG-KANFNMMFSA-N 2 1 304.478 2.818 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c(OC)c1 ZINC000341886717 284283196 /nfs/dbraw/zinc/28/31/96/284283196.db2.gz CCTSYEHGTZYFQA-CKEIUWERSA-N 2 1 306.450 2.565 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cccc(OC)c2)cc1 ZINC000420319483 296174568 /nfs/dbraw/zinc/17/45/68/296174568.db2.gz PPOYZAVQWTZVSY-KRWDZBQOSA-N 2 1 314.429 2.878 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000420316184 296174226 /nfs/dbraw/zinc/17/42/26/296174226.db2.gz LLLWGWRZZVPRHR-XYPWUTKMSA-N 2 1 321.852 2.883 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000622003716 399165405 /nfs/dbraw/zinc/16/54/05/399165405.db2.gz DXHAEPQAUUZFIK-HKUYNNGSSA-N 2 1 310.445 2.709 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000622003716 399165408 /nfs/dbraw/zinc/16/54/08/399165408.db2.gz DXHAEPQAUUZFIK-HKUYNNGSSA-N 2 1 310.445 2.709 20 0 DFADMP CCCCc1noc([C@H](C)[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000420325113 296175210 /nfs/dbraw/zinc/17/52/10/296175210.db2.gz IBNWHUWUTVFWJZ-SOUVJXGZSA-N 2 1 306.454 2.795 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420323992 296175339 /nfs/dbraw/zinc/17/53/39/296175339.db2.gz AJMGHNLRIVZCCR-ZACQAIPSSA-N 2 1 315.461 2.562 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420322489 296174852 /nfs/dbraw/zinc/17/48/52/296174852.db2.gz SMIPGNPRLINBEA-CHWSQXEVSA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000420322489 296174854 /nfs/dbraw/zinc/17/48/54/296174854.db2.gz SMIPGNPRLINBEA-CHWSQXEVSA-N 2 1 316.401 2.779 20 0 DFADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCc2ccccc21 ZINC000420322119 296174861 /nfs/dbraw/zinc/17/48/61/296174861.db2.gz RZXZVPJUMKMTJS-UFYCRDLUSA-N 2 1 310.441 2.537 20 0 DFADMP CC(C)C1CCC(N2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)CC1 ZINC000420321639 296174877 /nfs/dbraw/zinc/17/48/77/296174877.db2.gz RIFSVIATPRULOI-LMDPOFIKSA-N 2 1 307.526 2.818 20 0 DFADMP C[C@H]1c2ccsc2CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420327274 296175847 /nfs/dbraw/zinc/17/58/47/296175847.db2.gz YBKVSLWROWRFCZ-JQFCIGGWSA-N 2 1 316.470 2.598 20 0 DFADMP C[C@H]1c2ccsc2CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420327274 296175848 /nfs/dbraw/zinc/17/58/48/296175848.db2.gz YBKVSLWROWRFCZ-JQFCIGGWSA-N 2 1 316.470 2.598 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000448370163 297338702 /nfs/dbraw/zinc/33/87/02/297338702.db2.gz GDWKKPQUCSIPGZ-QGZVFWFLSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H](O)C(C)(C)C1 ZINC000448370163 297338704 /nfs/dbraw/zinc/33/87/04/297338704.db2.gz GDWKKPQUCSIPGZ-QGZVFWFLSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448370163 297338707 /nfs/dbraw/zinc/33/87/07/297338707.db2.gz GDWKKPQUCSIPGZ-QGZVFWFLSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H](O)C(C)(C)C1 ZINC000448370163 297338708 /nfs/dbraw/zinc/33/87/08/297338708.db2.gz GDWKKPQUCSIPGZ-QGZVFWFLSA-N 2 1 304.478 2.847 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420336018 296177177 /nfs/dbraw/zinc/17/71/77/296177177.db2.gz VINOQOWBVHAXTB-CABCVRRESA-N 2 1 304.438 2.549 20 0 DFADMP c1cnc2sc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)nc2c1 ZINC000420337762 296177074 /nfs/dbraw/zinc/17/70/74/296177074.db2.gz XAGJPXULADCIMI-STQMWFEESA-N 2 1 302.447 2.513 20 0 DFADMP Fc1ccc(-c2cc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)on2)cc1 ZINC000420343878 296177863 /nfs/dbraw/zinc/17/78/63/296177863.db2.gz RYDGWKYARGBDGD-GASCZTMLSA-N 2 1 315.392 2.912 20 0 DFADMP c1coc(-c2cc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)no2)c1 ZINC000420345989 296178005 /nfs/dbraw/zinc/17/80/05/296178005.db2.gz WZQAPXOESOHDBQ-KGLIPLIRSA-N 2 1 301.390 2.756 20 0 DFADMP c1ccc(-c2noc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)n2)cc1 ZINC000420344590 296178216 /nfs/dbraw/zinc/17/82/16/296178216.db2.gz UEYGWJOMNSQKSI-HOTGVXAUSA-N 2 1 312.417 2.558 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092560 399170667 /nfs/dbraw/zinc/17/06/67/399170667.db2.gz BLSNMTWCNAGAFK-SJORKVTESA-N 2 1 322.493 2.820 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)C1CCN(c2ccccc2)CC1 ZINC000420363619 296180389 /nfs/dbraw/zinc/18/03/89/296180389.db2.gz BQGHCOGSIXAHOI-UHFFFAOYSA-N 2 1 301.478 2.977 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000420363503 296180435 /nfs/dbraw/zinc/18/04/35/296180435.db2.gz NXUOGJFGZJMWDT-IRXDYDNUSA-N 2 1 317.477 2.533 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)o1 ZINC000607523113 399172531 /nfs/dbraw/zinc/17/25/31/399172531.db2.gz SMWFTZMYWWZHKQ-CABCVRRESA-N 2 1 321.465 2.676 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCCc1nc(-c2cccs2)no1 ZINC000420365669 296180800 /nfs/dbraw/zinc/18/08/00/296180800.db2.gz QKLFLTFDINGCDM-LBPRGKRZSA-N 2 1 308.451 2.694 20 0 DFADMP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420365602 296180875 /nfs/dbraw/zinc/18/08/75/296180875.db2.gz FAFRZOSEKMDHGE-SJORKVTESA-N 2 1 312.461 2.890 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420374291 296182485 /nfs/dbraw/zinc/18/24/85/296182485.db2.gz NJDLPZCKEUHBLN-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000420375764 296182566 /nfs/dbraw/zinc/18/25/66/296182566.db2.gz UJVSAOKNWUEXHO-QGZVFWFLSA-N 2 1 321.440 2.960 20 0 DFADMP CC(C)(C)[C@H](C[NH3+])[NH2+]CCOc1ccc(OC(F)(F)F)cc1 ZINC000420373404 296182183 /nfs/dbraw/zinc/18/21/83/296182183.db2.gz ZARXOIDBGJWOFQ-ZDUSSCGKSA-N 2 1 320.355 2.927 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420377918 296182993 /nfs/dbraw/zinc/18/29/93/296182993.db2.gz SVYQAZSRICWKGP-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1OC ZINC000342089068 284323726 /nfs/dbraw/zinc/32/37/26/284323726.db2.gz SCAOHCDTLWETTN-HZPDHXFCSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1OC ZINC000342089068 284323728 /nfs/dbraw/zinc/32/37/28/284323728.db2.gz SCAOHCDTLWETTN-HZPDHXFCSA-N 2 1 304.434 2.729 20 0 DFADMP C[C@H]1CCC[C@H](CC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420388300 296184825 /nfs/dbraw/zinc/18/48/25/296184825.db2.gz MBAMFWBVMUMRDY-MLHJIOFPSA-N 2 1 306.494 2.903 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387762 296184458 /nfs/dbraw/zinc/18/44/58/296184458.db2.gz GNMYUXHSWXWYEV-WMLDXEAASA-N 2 1 319.424 2.618 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)Nc1ccc(F)cc1 ZINC000420393066 296185387 /nfs/dbraw/zinc/18/53/87/296185387.db2.gz JJRMWYQEOGONRH-RHSMWYFYSA-N 2 1 319.424 2.618 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420398656 296186119 /nfs/dbraw/zinc/18/61/19/296186119.db2.gz NNEIKXXDMMIHIG-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420398656 296186120 /nfs/dbraw/zinc/18/61/20/296186120.db2.gz NNEIKXXDMMIHIG-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420398657 296186240 /nfs/dbraw/zinc/18/62/40/296186240.db2.gz NNEIKXXDMMIHIG-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420398657 296186241 /nfs/dbraw/zinc/18/62/41/296186241.db2.gz NNEIKXXDMMIHIG-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCc2nc3ccccc3n2C)CC[N@@H+]1C ZINC000266013489 205026587 /nfs/dbraw/zinc/02/65/87/205026587.db2.gz TXTXVJPQJFINTM-GJZGRUSLSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCc2nc3ccccc3n2C)CC[N@H+]1C ZINC000266013489 205026589 /nfs/dbraw/zinc/02/65/89/205026589.db2.gz TXTXVJPQJFINTM-GJZGRUSLSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCc2nc3ccccc3n2C)CC[NH+]1C ZINC000266013489 205026591 /nfs/dbraw/zinc/02/65/91/205026591.db2.gz TXTXVJPQJFINTM-GJZGRUSLSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2nc3ccccc3n2C)CC[NH+]1C ZINC000266013489 205026594 /nfs/dbraw/zinc/02/65/94/205026594.db2.gz TXTXVJPQJFINTM-GJZGRUSLSA-N 2 1 300.450 2.530 20 0 DFADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1sccc1C[NH+](C)C ZINC000288314847 220079356 /nfs/dbraw/zinc/07/93/56/220079356.db2.gz IREIMQBKSNPSBN-UKRRQHHQSA-N 2 1 321.490 2.509 20 0 DFADMP OCc1ccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)o1 ZINC000266238525 205207286 /nfs/dbraw/zinc/20/72/86/205207286.db2.gz WLCQHTATZQBMLA-UHFFFAOYSA-N 2 1 300.402 2.658 20 0 DFADMP C[C@H](C(=O)N[C@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000618660374 399200877 /nfs/dbraw/zinc/20/08/77/399200877.db2.gz JMZMHYQAMXCHFN-TWMKSMIVSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000618660374 399200881 /nfs/dbraw/zinc/20/08/81/399200881.db2.gz JMZMHYQAMXCHFN-TWMKSMIVSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000618660374 399200885 /nfs/dbraw/zinc/20/08/85/399200885.db2.gz JMZMHYQAMXCHFN-TWMKSMIVSA-N 2 1 321.509 2.771 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N(C)C[C@@H]1CCC[N@H+]1C ZINC000420631240 296194327 /nfs/dbraw/zinc/19/43/27/296194327.db2.gz GLJLFTGWBYHUNA-LBPRGKRZSA-N 2 1 303.381 2.913 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH3+])CCC2)cc1)C(C)C ZINC000342589814 284373323 /nfs/dbraw/zinc/37/33/23/284373323.db2.gz NCRLYNXMPIQHFB-UHFFFAOYSA-N 2 1 303.450 2.528 20 0 DFADMP C[NH+](C)CCCOc1ccc(CNc2[nH]c3ccccc3[nH+]2)cc1 ZINC000342707214 284392750 /nfs/dbraw/zinc/39/27/50/284392750.db2.gz DOJDKGMXGUCHCV-UHFFFAOYSA-N 2 1 324.428 2.927 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2C[C@@H](O)C2)CC1 ZINC000420901810 296210008 /nfs/dbraw/zinc/21/00/08/296210008.db2.gz KYEAREKLKGKWQH-KDURUIRLSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H]1SCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420911926 296211240 /nfs/dbraw/zinc/21/12/40/296211240.db2.gz GWVYVPOEEADLDP-HZPDHXFCSA-N 2 1 320.502 2.845 20 0 DFADMP C[C@H]1SCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H]1C ZINC000420911926 296211241 /nfs/dbraw/zinc/21/12/41/296211241.db2.gz GWVYVPOEEADLDP-HZPDHXFCSA-N 2 1 320.502 2.845 20 0 DFADMP FCC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000420972327 296219917 /nfs/dbraw/zinc/21/99/17/296219917.db2.gz LSOCFWUJBYBAKH-UHFFFAOYSA-N 2 1 306.425 2.700 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3cccnc3)CC2)CC1 ZINC000420972417 296219932 /nfs/dbraw/zinc/21/99/32/296219932.db2.gz AVBHQFDMUIQMOA-KRWDZBQOSA-N 2 1 316.493 2.635 20 0 DFADMP CCOC(=O)C1(C)CC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000601275766 399268388 /nfs/dbraw/zinc/26/83/88/399268388.db2.gz DUKZQJWHBZPRDM-YZWVMBDNSA-N 2 1 322.493 2.961 20 0 DFADMP c1cc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc(C2CC2)c1 ZINC000421320103 296244168 /nfs/dbraw/zinc/24/41/68/296244168.db2.gz AIDXCFIVXKXGCU-UHFFFAOYSA-N 2 1 313.489 2.777 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000421328484 296244973 /nfs/dbraw/zinc/24/49/73/296244973.db2.gz SPOPNXBQSUUMJT-IBGZPJMESA-N 2 1 302.462 2.746 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000040600296 183108300 /nfs/dbraw/zinc/10/83/00/183108300.db2.gz JUNSYDZVUXYLMX-ZDUSSCGKSA-N 2 1 309.841 2.600 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)o1 ZINC000609133505 399304982 /nfs/dbraw/zinc/30/49/82/399304982.db2.gz PAGMTVHMZKSCTR-UHFFFAOYSA-N 2 1 308.422 2.618 20 0 DFADMP CC[C@H](C)Oc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OC ZINC000623086367 399323775 /nfs/dbraw/zinc/32/37/75/399323775.db2.gz MGYXWKURPRWIDV-AWEZNQCLSA-N 2 1 317.433 2.938 20 0 DFADMP CCOc1ccc([C@@H](COC)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000284763799 218168153 /nfs/dbraw/zinc/16/81/53/218168153.db2.gz MLULFUDTVGTSSX-QGZVFWFLSA-N 2 1 303.406 2.568 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000105450883 194104263 /nfs/dbraw/zinc/10/42/63/194104263.db2.gz SAHHPRSZYSQLSH-UHFFFAOYSA-N 2 1 314.477 2.531 20 0 DFADMP C[N@H+]1CC[C@@H](NC[C@H](c2ccco2)[NH+]2CCCC2)CC1(C)C ZINC000623336808 399365897 /nfs/dbraw/zinc/36/58/97/399365897.db2.gz GBZMXSQMQSJOOX-HZPDHXFCSA-N 2 1 305.466 2.879 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000623347005 399367873 /nfs/dbraw/zinc/36/78/73/399367873.db2.gz KVLLDFHOEIHCKH-APWZRJJASA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000623347005 399367876 /nfs/dbraw/zinc/36/78/76/399367876.db2.gz KVLLDFHOEIHCKH-APWZRJJASA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)[N@H+]1CCc2ccccc2C1 ZINC000623347005 399367878 /nfs/dbraw/zinc/36/78/78/399367878.db2.gz KVLLDFHOEIHCKH-APWZRJJASA-N 2 1 315.505 2.896 20 0 DFADMP CCSCC[C@H](C)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601962737 399369945 /nfs/dbraw/zinc/36/99/45/399369945.db2.gz ACUBYKMUFBTVMS-FUHWJXTLSA-N 2 1 322.518 2.745 20 0 DFADMP CCSCC[C@H](C)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601962737 399369947 /nfs/dbraw/zinc/36/99/47/399369947.db2.gz ACUBYKMUFBTVMS-FUHWJXTLSA-N 2 1 322.518 2.745 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1(C)C ZINC000623357577 399371368 /nfs/dbraw/zinc/37/13/68/399371368.db2.gz WPLWXWFJKQFKQH-INIZCTEOSA-N 2 1 315.461 2.776 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)CC1(C)C ZINC000623357577 399371370 /nfs/dbraw/zinc/37/13/70/399371370.db2.gz WPLWXWFJKQFKQH-INIZCTEOSA-N 2 1 315.461 2.776 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)CC1(C)C ZINC000623381277 399376362 /nfs/dbraw/zinc/37/63/62/399376362.db2.gz KXPUBPIIQGKGHZ-KRWDZBQOSA-N 2 1 301.478 2.902 20 0 DFADMP CC(C)[C@@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nnc2ccccn21 ZINC000623395492 399379339 /nfs/dbraw/zinc/37/93/39/399379339.db2.gz NTSWJQUCLOLPHU-GDBMZVCRSA-N 2 1 315.465 2.889 20 0 DFADMP COc1ccccc1O[C@@H](C)C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623433535 399388684 /nfs/dbraw/zinc/38/86/84/399388684.db2.gz NWVDYTFPYHNPQE-GJZGRUSLSA-N 2 1 306.450 2.925 20 0 DFADMP C[N@@H+](C[C@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285360461 218397833 /nfs/dbraw/zinc/39/78/33/218397833.db2.gz BMKFHTDHYOCTFP-ZZJWQFMZSA-N 2 1 302.462 2.537 20 0 DFADMP C[NH+](C[C@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285360461 218397834 /nfs/dbraw/zinc/39/78/34/218397834.db2.gz BMKFHTDHYOCTFP-ZZJWQFMZSA-N 2 1 302.462 2.537 20 0 DFADMP C[NH+](C[C@H](O)CCc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285360461 218397836 /nfs/dbraw/zinc/39/78/36/218397836.db2.gz BMKFHTDHYOCTFP-ZZJWQFMZSA-N 2 1 302.462 2.537 20 0 DFADMP COc1ccccc1N1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445403 399391695 /nfs/dbraw/zinc/39/16/95/399391695.db2.gz PPXYHXINLSPIIZ-HZPDHXFCSA-N 2 1 317.477 2.736 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCc4[nH]cnc4C3)ccc21 ZINC000615874940 399393525 /nfs/dbraw/zinc/39/35/25/399393525.db2.gz ZUZTWUGVDDAALF-FZKQIMNGSA-N 2 1 324.428 2.702 20 0 DFADMP CC[N@H+](CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000268838819 207002970 /nfs/dbraw/zinc/00/29/70/207002970.db2.gz MDTWJLPJEMBSOM-INIZCTEOSA-N 2 1 319.493 2.762 20 0 DFADMP CC[N@@H+](CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000268838819 207002973 /nfs/dbraw/zinc/00/29/73/207002973.db2.gz MDTWJLPJEMBSOM-INIZCTEOSA-N 2 1 319.493 2.762 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1 ZINC000268838716 207003965 /nfs/dbraw/zinc/00/39/65/207003965.db2.gz BVPRTFTZNXWPHB-WOJBJXKFSA-N 2 1 315.505 2.940 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)ccc1OC ZINC000422559460 296312249 /nfs/dbraw/zinc/31/22/49/296312249.db2.gz DBWFFTIUZRXCDG-LZWOXQAQSA-N 2 1 306.450 2.899 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422565143 296313122 /nfs/dbraw/zinc/31/31/22/296313122.db2.gz XSTMAICSKLETIF-MCIONIFRSA-N 2 1 310.511 2.795 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)s1 ZINC000422565143 296313124 /nfs/dbraw/zinc/31/31/24/296313124.db2.gz XSTMAICSKLETIF-MCIONIFRSA-N 2 1 310.511 2.795 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000268874522 207043535 /nfs/dbraw/zinc/04/35/35/207043535.db2.gz QEOOMHFYJCLAPF-CQSZACIVSA-N 2 1 315.417 2.921 20 0 DFADMP COc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC1CC1 ZINC000623484790 399399320 /nfs/dbraw/zinc/39/93/20/399399320.db2.gz BZNAIXXPKIVQSE-UHFFFAOYSA-N 2 1 302.418 2.588 20 0 DFADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895306 207064580 /nfs/dbraw/zinc/06/45/80/207064580.db2.gz ZUVPCYTYIWSCPY-PXNSSMCTSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895306 207064584 /nfs/dbraw/zinc/06/45/84/207064584.db2.gz ZUVPCYTYIWSCPY-PXNSSMCTSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000268895306 207064586 /nfs/dbraw/zinc/06/45/86/207064586.db2.gz ZUVPCYTYIWSCPY-PXNSSMCTSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268891460 207061702 /nfs/dbraw/zinc/06/17/02/207061702.db2.gz JUTUIDGGNIWLFM-ILRDRHFLSA-N 2 1 320.477 2.826 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc(F)c1F ZINC000623498809 399402542 /nfs/dbraw/zinc/40/25/42/399402542.db2.gz IEXFNWWIAUDHIP-LBPRGKRZSA-N 2 1 320.387 2.580 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000623502846 399403452 /nfs/dbraw/zinc/40/34/52/399403452.db2.gz AWUDQEOWMFREKD-DOTOQJQBSA-N 2 1 321.509 2.773 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCN(C3CCCCC3)C2=O)CC1(C)C ZINC000623502846 399403454 /nfs/dbraw/zinc/40/34/54/399403454.db2.gz AWUDQEOWMFREKD-DOTOQJQBSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000268914152 207081646 /nfs/dbraw/zinc/08/16/46/207081646.db2.gz ILORYHGMVJOYQA-FUHWJXTLSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC(C)(C)CCO ZINC000268914152 207081651 /nfs/dbraw/zinc/08/16/51/207081651.db2.gz ILORYHGMVJOYQA-FUHWJXTLSA-N 2 1 304.478 2.895 20 0 DFADMP CCC[N@H+]1CC[C@@H](NC(=O)[C@H](c2ccccc2)[NH+](CC)CC)C1 ZINC000619900367 399403319 /nfs/dbraw/zinc/40/33/19/399403319.db2.gz ZSZOQRYSBRKCDI-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)CC(F)(F)F ZINC000422711055 296319683 /nfs/dbraw/zinc/31/96/83/296319683.db2.gz MEVBTWHWYKSKDT-CABCVRRESA-N 2 1 315.383 2.563 20 0 DFADMP COc1ccc([C@@H](C[NH+](C)C)N[C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623517885 399407301 /nfs/dbraw/zinc/40/73/01/399407301.db2.gz XBQYWYGUZMLQCB-SJLPKXTDSA-N 2 1 319.493 2.760 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422711317 296320305 /nfs/dbraw/zinc/32/03/05/296320305.db2.gz GWYQWRAUYRUKIO-OFQRWUPVSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422711317 296320306 /nfs/dbraw/zinc/32/03/06/296320306.db2.gz GWYQWRAUYRUKIO-OFQRWUPVSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714605 296320456 /nfs/dbraw/zinc/32/04/56/296320456.db2.gz LFXUVNXCJZVJFC-YZGWKJHDSA-N 3 1 315.505 2.529 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714605 296320457 /nfs/dbraw/zinc/32/04/57/296320457.db2.gz LFXUVNXCJZVJFC-YZGWKJHDSA-N 2 1 315.505 2.529 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714605 296320458 /nfs/dbraw/zinc/32/04/58/296320458.db2.gz LFXUVNXCJZVJFC-YZGWKJHDSA-N 2 1 315.505 2.529 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+]1CCCCC1 ZINC000422709302 296319858 /nfs/dbraw/zinc/31/98/58/296319858.db2.gz KIBXIXCPUVAJQN-RYRKJORJSA-N 2 1 319.493 2.938 20 0 DFADMP CCCC[N@@H+](C)CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709629 296319890 /nfs/dbraw/zinc/31/98/90/296319890.db2.gz KXPJNCXIZFLZNL-HKUYNNGSSA-N 2 1 317.477 2.564 20 0 DFADMP CCCCN(C)CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709629 296319891 /nfs/dbraw/zinc/31/98/91/296319891.db2.gz KXPJNCXIZFLZNL-HKUYNNGSSA-N 2 1 317.477 2.564 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953972 207119429 /nfs/dbraw/zinc/11/94/29/207119429.db2.gz SYBVQBHRNDBFCA-IUODEOHRSA-N 2 1 304.463 2.853 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953972 207119433 /nfs/dbraw/zinc/11/94/33/207119433.db2.gz SYBVQBHRNDBFCA-IUODEOHRSA-N 2 1 304.463 2.853 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc3nsnc32)[C@H](C)C1 ZINC000268953972 207119438 /nfs/dbraw/zinc/11/94/38/207119438.db2.gz SYBVQBHRNDBFCA-IUODEOHRSA-N 2 1 304.463 2.853 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714602 296320704 /nfs/dbraw/zinc/32/07/04/296320704.db2.gz LFXUVNXCJZVJFC-HOJAQTOUSA-N 3 1 315.505 2.529 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714602 296320705 /nfs/dbraw/zinc/32/07/05/296320705.db2.gz LFXUVNXCJZVJFC-HOJAQTOUSA-N 2 1 315.505 2.529 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714602 296320706 /nfs/dbraw/zinc/32/07/06/296320706.db2.gz LFXUVNXCJZVJFC-HOJAQTOUSA-N 2 1 315.505 2.529 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714546 296320722 /nfs/dbraw/zinc/32/07/22/296320722.db2.gz LAGVXNPJZTUUBA-HSALFYBXSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714546 296320724 /nfs/dbraw/zinc/32/07/24/296320724.db2.gz LAGVXNPJZTUUBA-HSALFYBXSA-N 2 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714546 296320725 /nfs/dbraw/zinc/32/07/25/296320725.db2.gz LAGVXNPJZTUUBA-HSALFYBXSA-N 2 1 315.505 2.658 20 0 DFADMP CCC(F)(F)C(C)(C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000623572477 399418903 /nfs/dbraw/zinc/41/89/03/399418903.db2.gz BEHIKIMXNVYLJY-AWEZNQCLSA-N 2 1 304.425 2.901 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@H](C)C[NH+]2CCCC2)s1 ZINC000058065078 184072771 /nfs/dbraw/zinc/07/27/71/184072771.db2.gz NKWSTBDDWMIWDM-AWEZNQCLSA-N 2 1 310.511 2.811 20 0 DFADMP CC[C@@H](O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268978711 207141191 /nfs/dbraw/zinc/14/11/91/207141191.db2.gz BTDSETXKTXBLAV-GOSISDBHSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422731443 296323042 /nfs/dbraw/zinc/32/30/42/296323042.db2.gz LRVWARKICLOGSJ-BZUAXINKSA-N 2 1 307.507 2.863 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)s1 ZINC000623655633 399435756 /nfs/dbraw/zinc/43/57/56/399435756.db2.gz ASKVBPYYZRTIKJ-AWEZNQCLSA-N 2 1 310.511 2.811 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)s1 ZINC000623655633 399435757 /nfs/dbraw/zinc/43/57/57/399435757.db2.gz ASKVBPYYZRTIKJ-AWEZNQCLSA-N 2 1 310.511 2.811 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCCC[N@H+](C)C1)O[C@H](C)C2 ZINC000623655262 399435912 /nfs/dbraw/zinc/43/59/12/399435912.db2.gz SRHYKFKAJXLWIF-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CCCC[N@@H+](C)C1)O[C@H](C)C2 ZINC000623655262 399435915 /nfs/dbraw/zinc/43/59/15/399435915.db2.gz SRHYKFKAJXLWIF-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000623655806 399436598 /nfs/dbraw/zinc/43/65/98/399436598.db2.gz FWVCJWKOXFEFDB-SFHVURJKSA-N 2 1 312.461 2.753 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000623655806 399436602 /nfs/dbraw/zinc/43/66/02/399436602.db2.gz FWVCJWKOXFEFDB-SFHVURJKSA-N 2 1 312.461 2.753 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc1OC ZINC000623655041 399435640 /nfs/dbraw/zinc/43/56/40/399435640.db2.gz MVBBCJGPPFTUAV-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCCC[N@H+](C)C2)o1 ZINC000623656492 399437028 /nfs/dbraw/zinc/43/70/28/399437028.db2.gz VJHOMVYLUFPAPX-CQSZACIVSA-N 2 1 302.422 2.800 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000623657639 399437318 /nfs/dbraw/zinc/43/73/18/399437318.db2.gz VUJYBHWFNMYBQE-DZGCQCFKSA-N 2 1 309.479 2.816 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000623657639 399437321 /nfs/dbraw/zinc/43/73/21/399437321.db2.gz VUJYBHWFNMYBQE-DZGCQCFKSA-N 2 1 309.479 2.816 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1NC(C)=O ZINC000269042843 207190956 /nfs/dbraw/zinc/19/09/56/207190956.db2.gz UNLJGRDPMPZQHU-STQMWFEESA-N 2 1 307.438 2.644 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000269067514 207216269 /nfs/dbraw/zinc/21/62/69/207216269.db2.gz WCJGTJGHHXVAFP-HOTGVXAUSA-N 2 1 322.468 2.829 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623749179 399457843 /nfs/dbraw/zinc/45/78/43/399457843.db2.gz XTOQIYDGQOCGBZ-KURKYZTESA-N 2 1 300.446 2.544 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623749179 399457846 /nfs/dbraw/zinc/45/78/46/399457846.db2.gz XTOQIYDGQOCGBZ-KURKYZTESA-N 2 1 300.446 2.544 20 0 DFADMP C[C@@H]1C[C@H](NCc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623777326 399464262 /nfs/dbraw/zinc/46/42/62/399464262.db2.gz AJAYLWJATLJDRQ-CRAIPNDOSA-N 2 1 311.429 2.930 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623777326 399464268 /nfs/dbraw/zinc/46/42/68/399464268.db2.gz AJAYLWJATLJDRQ-CRAIPNDOSA-N 2 1 311.429 2.930 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000269130812 207265166 /nfs/dbraw/zinc/26/51/66/207265166.db2.gz KBYVSDSPIHKUSE-HNNXBMFYSA-N 2 1 324.432 2.855 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000269130812 207265167 /nfs/dbraw/zinc/26/51/67/207265167.db2.gz KBYVSDSPIHKUSE-HNNXBMFYSA-N 2 1 324.432 2.855 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c1 ZINC000602518814 399466596 /nfs/dbraw/zinc/46/65/96/399466596.db2.gz TYWFJORLJFVKDJ-CYBMUJFWSA-N 2 1 310.463 2.746 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1 ZINC000269168414 207291025 /nfs/dbraw/zinc/29/10/25/207291025.db2.gz DPRHTZKUQHNTIN-SFHVURJKSA-N 2 1 317.477 2.872 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])[C@H](C)C2)cc1)C(C)C ZINC000269212770 207332085 /nfs/dbraw/zinc/33/20/85/207332085.db2.gz OLIVTSSQNWVRHF-CRAIPNDOSA-N 2 1 317.477 2.726 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422735328 296323734 /nfs/dbraw/zinc/32/37/34/296323734.db2.gz VZCJEZSZMRZQDM-ARFHVFGLSA-N 2 1 307.507 2.992 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422737169 296323891 /nfs/dbraw/zinc/32/38/91/296323891.db2.gz HTHPVWXBKKSOJW-QXAKKESOSA-N 2 1 303.494 2.655 20 0 DFADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])N1CCCC1 ZINC000422748587 296325595 /nfs/dbraw/zinc/32/55/95/296325595.db2.gz VEZJIGUZQNOSTF-NXHRZFHOSA-N 2 1 317.477 2.549 20 0 DFADMP COc1ccccc1[C@H](C[NH2+][C@@H]1CCC[C@H]1C[NH3+])N1CCCC1 ZINC000422748585 296325672 /nfs/dbraw/zinc/32/56/72/296325672.db2.gz VEZJIGUZQNOSTF-JQHSSLGASA-N 2 1 317.477 2.549 20 0 DFADMP C[C@H]([NH2+]C1CCN([C@@H](C)c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422748216 296325845 /nfs/dbraw/zinc/32/58/45/296325845.db2.gz SMYCUJVTCAWIBB-XYJFISCASA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[C@@H]1CC[NH2+]C1 ZINC000422748216 296325846 /nfs/dbraw/zinc/32/58/46/296325846.db2.gz SMYCUJVTCAWIBB-XYJFISCASA-N 3 1 301.478 2.800 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CCCCC[C@H]1[NH3+])c1c(F)cccc1F ZINC000422745627 296325357 /nfs/dbraw/zinc/32/53/57/296325357.db2.gz MPTOPCXHFXBECJ-BZUAXINKSA-N 2 1 311.420 2.817 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+]1CCCC1 ZINC000422749006 296326153 /nfs/dbraw/zinc/32/61/53/296326153.db2.gz WZUOCZKPQBWKPK-VYDXJSESSA-N 2 1 305.466 2.548 20 0 DFADMP CC[C@@H](C[NH2+][C@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000422750549 296326176 /nfs/dbraw/zinc/32/61/76/296326176.db2.gz DGGRFVXYVVKJFO-DOMZBBRYSA-N 2 1 311.267 2.969 20 0 DFADMP COC(=O)c1cc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)[nH]c1C ZINC000602564623 399477477 /nfs/dbraw/zinc/47/74/77/399477477.db2.gz AVCJSFZSXCBRJY-UHFFFAOYSA-N 2 1 319.449 2.606 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3COc4ccccc4O3)CC[NH2+]2)cc1 ZINC000422752301 296326958 /nfs/dbraw/zinc/32/69/58/296326958.db2.gz DRYAGLMBBAITQE-KSZLIROESA-N 2 1 324.424 2.909 20 0 DFADMP CCOc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@H]2C)cc1OCC ZINC000422757552 296327786 /nfs/dbraw/zinc/32/77/86/296327786.db2.gz JQJFVCWCYJIWOX-GDBMZVCRSA-N 2 1 306.450 2.614 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CCCCO1 ZINC000623853439 399479994 /nfs/dbraw/zinc/47/99/94/399479994.db2.gz YHVQWCAERXUQMW-APWZRJJASA-N 2 1 318.461 2.566 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422765221 296329304 /nfs/dbraw/zinc/32/93/04/296329304.db2.gz QPVIBZJZOCWMKP-UAGQMJEPSA-N 2 1 305.441 2.833 20 0 DFADMP C[C@@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422776510 296330975 /nfs/dbraw/zinc/33/09/75/296330975.db2.gz CTKXVWOWMXOVQS-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP COc1ccc([C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422776798 296331094 /nfs/dbraw/zinc/33/10/94/296331094.db2.gz DMSKEPSXTDHEDV-OPNNQBFTSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H](CC[NH+](C)C)Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000623901572 399490521 /nfs/dbraw/zinc/49/05/21/399490521.db2.gz LWDZAQMXMGEWIX-CQSZACIVSA-N 2 1 311.433 2.749 20 0 DFADMP COc1ccccc1O[C@@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422785799 296332540 /nfs/dbraw/zinc/33/25/40/296332540.db2.gz KAYHZWRLBKNWRZ-STQMWFEESA-N 2 1 301.390 2.621 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)Oc1cccc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000422793860 296334002 /nfs/dbraw/zinc/33/40/02/296334002.db2.gz TUDUSLYFZWRSME-FHLIZLRMSA-N 2 1 306.450 2.973 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C)Oc1cccc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000422793862 296334073 /nfs/dbraw/zinc/33/40/73/296334073.db2.gz TUDUSLYFZWRSME-JCGIZDLHSA-N 2 1 306.450 2.973 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793497 296334212 /nfs/dbraw/zinc/33/42/12/296334212.db2.gz FPROJBNYBBIKQR-IIDMSEBBSA-N 2 1 307.482 2.794 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422798338 296334780 /nfs/dbraw/zinc/33/47/80/296334780.db2.gz QRRXJENDEAEOTP-QAPCUYQASA-N 2 1 316.493 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(CC2CCCC2)C1 ZINC000422798338 296334782 /nfs/dbraw/zinc/33/47/82/296334782.db2.gz QRRXJENDEAEOTP-QAPCUYQASA-N 2 1 316.493 2.764 20 0 DFADMP CC[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000422812227 296337718 /nfs/dbraw/zinc/33/77/18/296337718.db2.gz VWYKOTLKZNRWRK-JIRNRHONSA-N 2 1 313.489 2.696 20 0 DFADMP CC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000422812227 296337719 /nfs/dbraw/zinc/33/77/19/296337719.db2.gz VWYKOTLKZNRWRK-JIRNRHONSA-N 2 1 313.489 2.696 20 0 DFADMP CC[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422812573 296337526 /nfs/dbraw/zinc/33/75/26/296337526.db2.gz WOQPNNCTRBVUJF-NSISKUIASA-N 2 1 315.505 2.801 20 0 DFADMP CC[C@H](CN[C@@H]1CC[NH2+]CC[C@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422812573 296337527 /nfs/dbraw/zinc/33/75/27/296337527.db2.gz WOQPNNCTRBVUJF-NSISKUIASA-N 2 1 315.505 2.801 20 0 DFADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631841741 399506081 /nfs/dbraw/zinc/50/60/81/399506081.db2.gz PDSLJOBFWFVELB-GDBMZVCRSA-N 2 1 311.429 2.695 20 0 DFADMP C[N@@H+](CCN[C@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccc(F)cc1 ZINC000422818994 296338994 /nfs/dbraw/zinc/33/89/94/296338994.db2.gz LXRXGOOPOXTYHG-MOPGFXCFSA-N 2 1 313.420 2.992 20 0 DFADMP C[C@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000422825218 296340104 /nfs/dbraw/zinc/34/01/04/296340104.db2.gz PIWVDJQFMOQAAV-YJJAZYOBSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000422825218 296340106 /nfs/dbraw/zinc/34/01/06/296340106.db2.gz PIWVDJQFMOQAAV-YJJAZYOBSA-N 3 1 301.478 2.770 20 0 DFADMP C[C@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000422825218 296340108 /nfs/dbraw/zinc/34/01/08/296340108.db2.gz PIWVDJQFMOQAAV-YJJAZYOBSA-N 3 1 301.478 2.770 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1OC ZINC000422829783 296340716 /nfs/dbraw/zinc/34/07/16/296340716.db2.gz CACZPZQJTMURLG-CABCVRRESA-N 2 1 322.449 2.852 20 0 DFADMP CC[N@H+](CCC1CC[NH+]([C@H](C)c2nncn2C)CC1)CC1CC1 ZINC000347011831 285001384 /nfs/dbraw/zinc/00/13/84/285001384.db2.gz MPUXNPGGQPPQTA-OAHLLOKOSA-N 2 1 319.497 2.710 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)c2nncn2C)CC1)CC1CC1 ZINC000347011831 285001388 /nfs/dbraw/zinc/00/13/88/285001388.db2.gz MPUXNPGGQPPQTA-OAHLLOKOSA-N 2 1 319.497 2.710 20 0 DFADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845821 399508002 /nfs/dbraw/zinc/50/80/02/399508002.db2.gz LRIJWCWAXFTQKQ-GXFFZTMASA-N 2 1 323.803 2.537 20 0 DFADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845821 399508010 /nfs/dbraw/zinc/50/80/10/399508010.db2.gz LRIJWCWAXFTQKQ-GXFFZTMASA-N 2 1 323.803 2.537 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000422826673 296340384 /nfs/dbraw/zinc/34/03/84/296340384.db2.gz LRUZYFCXLFENGC-WDSOQIARSA-N 2 1 301.478 2.720 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422839510 296342426 /nfs/dbraw/zinc/34/24/26/296342426.db2.gz QJAOJKOVWSWLHR-JFIYKMOQSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422839510 296342427 /nfs/dbraw/zinc/34/24/27/296342427.db2.gz QJAOJKOVWSWLHR-JFIYKMOQSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1cccc(Cl)c1)N1CCCC1)C1C[NH2+]C1 ZINC000422843530 296343338 /nfs/dbraw/zinc/34/33/38/296343338.db2.gz IQGZCDOHRDZMIY-DYVFJYSZSA-N 2 1 307.869 2.674 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccc(Cl)c1)N1CCCC1)C1C[NH2+]C1 ZINC000422843532 296343517 /nfs/dbraw/zinc/34/35/17/296343517.db2.gz IQGZCDOHRDZMIY-SUMWQHHRSA-N 2 1 307.869 2.674 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422837945 296342487 /nfs/dbraw/zinc/34/24/87/296342487.db2.gz VVBQRMQBQVOBPN-SZMVWBNQSA-N 2 1 310.445 2.880 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000422841317 296342575 /nfs/dbraw/zinc/34/25/75/296342575.db2.gz VSEHOTSKVPOMNP-CAMMJAKZSA-N 2 1 301.478 2.770 20 0 DFADMP C1CCC([NH+]2CCC([NH2+][C@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000422840906 296342777 /nfs/dbraw/zinc/34/27/77/296342777.db2.gz USXREOQUSAYDHU-QYZOEREBSA-N 3 1 305.510 2.904 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000347071439 285012449 /nfs/dbraw/zinc/01/24/49/285012449.db2.gz QCWQVWPEENVJTD-NWDGAFQWSA-N 2 1 320.387 2.914 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000347071439 285012450 /nfs/dbraw/zinc/01/24/50/285012450.db2.gz QCWQVWPEENVJTD-NWDGAFQWSA-N 2 1 320.387 2.914 20 0 DFADMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000422872823 296348096 /nfs/dbraw/zinc/34/80/96/296348096.db2.gz ITQQVDPBRSXMMU-UKBAYJJMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)N(Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000422872823 296348098 /nfs/dbraw/zinc/34/80/98/296348098.db2.gz ITQQVDPBRSXMMU-UKBAYJJMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000422873378 296348201 /nfs/dbraw/zinc/34/82/01/296348201.db2.gz LEEOQSKOFYSKBH-XGXHKWSGSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CN1Cc1ccccc1 ZINC000422873378 296348204 /nfs/dbraw/zinc/34/82/04/296348204.db2.gz LEEOQSKOFYSKBH-XGXHKWSGSA-N 2 1 301.478 2.899 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422866685 296347120 /nfs/dbraw/zinc/34/71/20/296347120.db2.gz QROSBZUVTNRBJS-OLZOCXBDSA-N 2 1 317.355 2.772 20 0 DFADMP OCC[NH2+]C1CC[NH+](Cc2ccc(-c3ccccc3)cc2)CC1 ZINC000631866137 399512279 /nfs/dbraw/zinc/51/22/79/399512279.db2.gz MAAVQPVRKYCWFI-UHFFFAOYSA-N 2 1 310.441 2.900 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000422883132 296350215 /nfs/dbraw/zinc/35/02/15/296350215.db2.gz BQTDQQDTRLNGIA-ZMMAXQRCSA-N 2 1 303.494 2.797 20 0 DFADMP CC[N@@H+](CCN[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C(C)C ZINC000422883667 296350262 /nfs/dbraw/zinc/35/02/62/296350262.db2.gz VIUGHIIGNPOPPT-RTBURBONSA-N 2 1 319.493 2.808 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422880771 296349852 /nfs/dbraw/zinc/34/98/52/296349852.db2.gz MRYWXTZJKUQYRK-CVEARBPZSA-N 3 1 301.478 2.759 20 0 DFADMP C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422880771 296349854 /nfs/dbraw/zinc/34/98/54/296349854.db2.gz MRYWXTZJKUQYRK-CVEARBPZSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@H]1C)C1C[NH2+]C1 ZINC000422880771 296349856 /nfs/dbraw/zinc/34/98/56/296349856.db2.gz MRYWXTZJKUQYRK-CVEARBPZSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000119699795 195021548 /nfs/dbraw/zinc/02/15/48/195021548.db2.gz JQLOFEWYFLREBA-YEJXKQKISA-N 2 1 306.475 2.701 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(OC(F)F)c1 ZINC000422890114 296351263 /nfs/dbraw/zinc/35/12/63/296351263.db2.gz RFOVMWFJOKBWIB-NSHDSACASA-N 2 1 314.376 2.774 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902729 296353372 /nfs/dbraw/zinc/35/33/72/296353372.db2.gz VEHVZEKNTQKYSW-SJORKVTESA-N 2 1 302.466 2.822 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2cncn2)cc1 ZINC000119727975 195027226 /nfs/dbraw/zinc/02/72/26/195027226.db2.gz QSEKJSKJKNBKNZ-CQSZACIVSA-N 2 1 311.433 2.545 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[NH2+][C@@H]3CCCCC[C@H]3[NH3+])cn2)n1 ZINC000422905042 296353854 /nfs/dbraw/zinc/35/38/54/296353854.db2.gz YNSBUKDDDFYWAP-IAGOWNOFSA-N 2 1 313.449 2.634 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422906065 296354315 /nfs/dbraw/zinc/35/43/15/296354315.db2.gz UCGPYQUICOULPE-JKSUJKDBSA-N 2 1 301.365 2.982 20 0 DFADMP COc1ccc(COCCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422907904 296354592 /nfs/dbraw/zinc/35/45/92/296354592.db2.gz LTCVOGFMRMULQV-AWEZNQCLSA-N 2 1 315.417 2.760 20 0 DFADMP COc1ccc(COCCC[NH2+][C@H](C)c2c[nH+]ccc2N)cc1 ZINC000422907905 296354675 /nfs/dbraw/zinc/35/46/75/296354675.db2.gz LTCVOGFMRMULQV-CQSZACIVSA-N 2 1 315.417 2.760 20 0 DFADMP c1ccc(CC2CC[NH+](CCCC[NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000422911087 296354873 /nfs/dbraw/zinc/35/48/73/296354873.db2.gz SDMSYZDIJJJNDF-HXUWFJFHSA-N 3 1 315.505 2.673 20 0 DFADMP C[C@@H]1C[C@H](Nc2nccc(N3Cc4ccccc4C3)n2)CC[N@H+]1C ZINC000623995052 399517363 /nfs/dbraw/zinc/51/73/63/399517363.db2.gz LXYQSAKYIJALKF-RHSMWYFYSA-N 2 1 323.444 2.891 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000422933995 296357111 /nfs/dbraw/zinc/35/71/11/296357111.db2.gz BWQDHULILNQWOJ-VVLHAWIVSA-N 3 1 319.493 2.511 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@@H](C)C1 ZINC000422933995 296357113 /nfs/dbraw/zinc/35/71/13/296357113.db2.gz BWQDHULILNQWOJ-VVLHAWIVSA-N 2 1 319.493 2.511 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1CN1C[C@H](C)O[C@@H](C)C1 ZINC000422933994 296357227 /nfs/dbraw/zinc/35/72/27/296357227.db2.gz BWQDHULILNQWOJ-QAETUUGQSA-N 2 1 319.493 2.511 20 0 DFADMP c1ccc(CCOCCC[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887045 399518064 /nfs/dbraw/zinc/51/80/64/399518064.db2.gz LPJZEQWDMZZNJC-OALUTQOASA-N 2 1 302.462 2.710 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887045 399518069 /nfs/dbraw/zinc/51/80/69/399518069.db2.gz LPJZEQWDMZZNJC-OALUTQOASA-N 2 1 302.462 2.710 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887304 399519952 /nfs/dbraw/zinc/51/99/52/399519952.db2.gz QDYPAQLGTYDTNW-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1Cl ZINC000631888613 399520143 /nfs/dbraw/zinc/52/01/43/399520143.db2.gz XWBISWSFWFAQAA-CJNGLKHVSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1ccccc1Cl ZINC000631888613 399520147 /nfs/dbraw/zinc/52/01/47/399520147.db2.gz XWBISWSFWFAQAA-CJNGLKHVSA-N 2 1 321.852 2.743 20 0 DFADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)OCCCO2 ZINC000269982797 208036505 /nfs/dbraw/zinc/03/65/05/208036505.db2.gz RLHPSQYMIOINQZ-HOTGVXAUSA-N 2 1 302.418 2.564 20 0 DFADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)OCCCO2 ZINC000269982797 208036509 /nfs/dbraw/zinc/03/65/09/208036509.db2.gz RLHPSQYMIOINQZ-HOTGVXAUSA-N 2 1 302.418 2.564 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccc1SC ZINC000631887235 399518879 /nfs/dbraw/zinc/51/88/79/399518879.db2.gz MOWXWDUALNEHBC-CABCVRRESA-N 2 1 306.475 2.991 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)ccc1SC ZINC000631887235 399518881 /nfs/dbraw/zinc/51/88/81/399518881.db2.gz MOWXWDUALNEHBC-CABCVRRESA-N 2 1 306.475 2.991 20 0 DFADMP CC[C@](C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695864 399524665 /nfs/dbraw/zinc/52/46/65/399524665.db2.gz PSJDZTZAPDRRLQ-VDZJLULYSA-N 2 1 318.461 2.580 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[N@@H+]1C ZINC000270026544 208082738 /nfs/dbraw/zinc/08/27/38/208082738.db2.gz XPEOPFOYTNXJAQ-CMPLNLGQSA-N 2 1 302.340 2.999 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)CC[N@H+]1C ZINC000270026544 208082742 /nfs/dbraw/zinc/08/27/42/208082742.db2.gz XPEOPFOYTNXJAQ-CMPLNLGQSA-N 2 1 302.340 2.999 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000422966203 296362097 /nfs/dbraw/zinc/36/20/97/296362097.db2.gz QZGXQUKNFLUJQY-BRWVUGGUSA-N 2 1 305.466 2.784 20 0 DFADMP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000422990160 296364455 /nfs/dbraw/zinc/36/44/55/296364455.db2.gz MZEPHHYKLOZTQY-FXBDTBDDSA-N 2 1 309.262 2.897 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000347570100 285082437 /nfs/dbraw/zinc/08/24/37/285082437.db2.gz QCWYRPJZTQTOOF-QGZVFWFLSA-N 2 1 319.836 2.524 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000347570100 285082440 /nfs/dbraw/zinc/08/24/40/285082440.db2.gz QCWYRPJZTQTOOF-QGZVFWFLSA-N 2 1 319.836 2.524 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](Cc2ccccc2)[C@@H](C)[NH3+])C1 ZINC000422994519 296364859 /nfs/dbraw/zinc/36/48/59/296364859.db2.gz HZKNMCKXZNRHLT-MISYRCLQSA-N 2 1 317.521 2.903 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422994518 296365007 /nfs/dbraw/zinc/36/50/07/296365007.db2.gz HZKNMCKXZNRHLT-DFQSSKMNSA-N 2 1 317.521 2.903 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CN[C@H](Cc1ccccc1)[C@H](C)[NH3+] ZINC000423005333 296366142 /nfs/dbraw/zinc/36/61/42/296366142.db2.gz RMPFAMLAMJEQSC-QXAKKESOSA-N 2 1 303.494 2.655 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423009712 296367180 /nfs/dbraw/zinc/36/71/80/296367180.db2.gz DMKCNYRJLJGPDE-NKKGCODLSA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@H]1CCC[NH2+]1 ZINC000423009712 296367182 /nfs/dbraw/zinc/36/71/82/296367182.db2.gz DMKCNYRJLJGPDE-NKKGCODLSA-N 2 1 307.869 2.815 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000625378478 399538479 /nfs/dbraw/zinc/53/84/79/399538479.db2.gz ICEHWEJMMSUGCF-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378478 399538481 /nfs/dbraw/zinc/53/84/81/399538481.db2.gz ICEHWEJMMSUGCF-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378478 399538483 /nfs/dbraw/zinc/53/84/83/399538483.db2.gz ICEHWEJMMSUGCF-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378478 399538488 /nfs/dbraw/zinc/53/84/88/399538488.db2.gz ICEHWEJMMSUGCF-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378478 399538492 /nfs/dbraw/zinc/53/84/92/399538492.db2.gz ICEHWEJMMSUGCF-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1C[NH2+]C1 ZINC000423011104 296367379 /nfs/dbraw/zinc/36/73/79/296367379.db2.gz YZXIKVQUQPDJOY-OAHLLOKOSA-N 3 1 313.445 2.609 20 0 DFADMP COc1cc(F)cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000423011268 296367447 /nfs/dbraw/zinc/36/74/47/296367447.db2.gz ATIYYETVYPFOEM-FZKQIMNGSA-N 2 1 302.393 2.882 20 0 DFADMP COc1ccc([C@H]([NH2+]CC2(C)CCOCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423023912 296369111 /nfs/dbraw/zinc/36/91/11/296369111.db2.gz KSVDDUQMQRCINF-MSOLQXFVSA-N 2 1 318.461 2.895 20 0 DFADMP COc1ccc([C@H]([NH2+]CC2(C)CCOCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423023914 296369132 /nfs/dbraw/zinc/36/91/32/296369132.db2.gz KSVDDUQMQRCINF-ROUUACIJSA-N 2 1 318.461 2.895 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423018343 296368441 /nfs/dbraw/zinc/36/84/41/296368441.db2.gz YOYLKJLXUOWGTK-VYDXJSESSA-N 2 1 305.441 2.915 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+][C@H](CCO)c1ccccc1Br ZINC000423029029 296369772 /nfs/dbraw/zinc/36/97/72/296369772.db2.gz HLGWLYBSXYXNMR-MISXGVKJSA-N 2 1 315.255 2.588 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000423030872 296369931 /nfs/dbraw/zinc/36/99/31/296369931.db2.gz KBDRUYCQQUKJHD-GJZGRUSLSA-N 3 1 304.482 2.764 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000620622988 399546192 /nfs/dbraw/zinc/54/61/92/399546192.db2.gz CQGAQFLGTBMIOQ-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000620622988 399546194 /nfs/dbraw/zinc/54/61/94/399546194.db2.gz CQGAQFLGTBMIOQ-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000620622988 399546196 /nfs/dbraw/zinc/54/61/96/399546196.db2.gz CQGAQFLGTBMIOQ-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+]1CCC(C)(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423047035 296371528 /nfs/dbraw/zinc/37/15/28/296371528.db2.gz UMYIVEZOOYHCEO-QZTJIDSGSA-N 3 1 301.478 2.801 20 0 DFADMP FC(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423047917 296371804 /nfs/dbraw/zinc/37/18/04/296371804.db2.gz HSFIRTZRJWNEFR-OAGGEKHMSA-N 2 1 310.388 2.871 20 0 DFADMP Cc1cccc(C[C@H](CO)[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)c1 ZINC000423055530 296372691 /nfs/dbraw/zinc/37/26/91/296372691.db2.gz DDIMZGHSRKNZBQ-NJDAHSKKSA-N 2 1 324.468 2.981 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423055859 296372770 /nfs/dbraw/zinc/37/27/70/296372770.db2.gz DTGBYKZGJPYTON-WDMOLILDSA-N 2 1 317.355 2.628 20 0 DFADMP CSCc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423061053 296373603 /nfs/dbraw/zinc/37/36/03/296373603.db2.gz PXLDQWLPCPLNGA-KSZLIROESA-N 2 1 320.502 2.796 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423064873 296374272 /nfs/dbraw/zinc/37/42/72/296374272.db2.gz SHMVDDHGECCJTF-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000423064510 296373807 /nfs/dbraw/zinc/37/38/07/296373807.db2.gz RMUBOSMPAGQCLI-DGAVXFQQSA-N 2 1 308.388 2.590 20 0 DFADMP COc1cc(Br)ccc1[C@@H](C)[NH2+][C@@H](C)C1C[NH2+]C1 ZINC000423076612 296375539 /nfs/dbraw/zinc/37/55/39/296375539.db2.gz ZLHRWWTUKURUBD-VHSXEESVSA-N 2 1 313.239 2.716 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CN3CCC2CC3)cc1Cl ZINC000602748945 399554728 /nfs/dbraw/zinc/55/47/28/399554728.db2.gz QKWJTYLJUSYPHV-MRXNPFEDSA-N 2 1 322.836 2.653 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CN3CCC2CC3)cc1Cl ZINC000602748945 399554731 /nfs/dbraw/zinc/55/47/31/399554731.db2.gz QKWJTYLJUSYPHV-MRXNPFEDSA-N 2 1 322.836 2.653 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Br)cc1F ZINC000423113355 296380157 /nfs/dbraw/zinc/38/01/57/296380157.db2.gz UEXQTAYJEXYECQ-DTWKUNHWSA-N 2 1 301.203 2.847 20 0 DFADMP C[N@H+]1CCCC[C@H](CN[C@@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000624122948 399560818 /nfs/dbraw/zinc/56/08/18/399560818.db2.gz BNFPGPPSJSNZQU-RHSMWYFYSA-N 2 1 316.424 2.960 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423110893 296379695 /nfs/dbraw/zinc/37/96/95/296379695.db2.gz WDKKFTXMXQHPRH-AAEUAGOBSA-N 2 1 317.355 2.500 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCC[C@H]1C[NH3+] ZINC000423115918 296380430 /nfs/dbraw/zinc/38/04/30/296380430.db2.gz ZAAPNJXSQUJTEJ-JQWIXIFHSA-N 2 1 318.339 2.811 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)c2ccccc21 ZINC000624124097 399562552 /nfs/dbraw/zinc/56/25/52/399562552.db2.gz XEFPGQBHCFXCRZ-WMZOPIPTSA-N 2 1 315.461 2.806 20 0 DFADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423123792 296381184 /nfs/dbraw/zinc/38/11/84/296381184.db2.gz NIXACAJGDMFMNP-ARFHVFGLSA-N 2 1 302.466 2.548 20 0 DFADMP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423130708 296382317 /nfs/dbraw/zinc/38/23/17/296382317.db2.gz NFSHTBDPWGOSTQ-UHOSZYNNSA-N 2 1 318.436 2.950 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000602774470 399566304 /nfs/dbraw/zinc/56/63/04/399566304.db2.gz ZYNFXMHFLADLMN-ZDUSSCGKSA-N 2 1 323.437 2.574 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)n1 ZINC000602774470 399566309 /nfs/dbraw/zinc/56/63/09/399566309.db2.gz ZYNFXMHFLADLMN-ZDUSSCGKSA-N 2 1 323.437 2.574 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423144013 296384431 /nfs/dbraw/zinc/38/44/31/296384431.db2.gz FXCGRYHEYWIXPB-UAGQMJEPSA-N 2 1 307.507 2.728 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cncn2C)C1 ZINC000347730094 285149844 /nfs/dbraw/zinc/14/98/44/285149844.db2.gz CAEIZKIZWBFCRB-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cncn2C)C1 ZINC000347730094 285149846 /nfs/dbraw/zinc/14/98/46/285149846.db2.gz CAEIZKIZWBFCRB-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cncn2C)C1 ZINC000347730094 285149848 /nfs/dbraw/zinc/14/98/48/285149848.db2.gz CAEIZKIZWBFCRB-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cncn2C)C1 ZINC000347730094 285149851 /nfs/dbraw/zinc/14/98/51/285149851.db2.gz CAEIZKIZWBFCRB-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@]4(CCOC4)C3)CCN2)cc1 ZINC000423154828 296385734 /nfs/dbraw/zinc/38/57/34/296385734.db2.gz KBGAGFSDRBKLTE-FHWLQOOXSA-N 2 1 300.446 2.982 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([N@@H+]3CCC[C@]4(CCOC4)C3)CC[NH2+]2)cc1 ZINC000423154828 296385735 /nfs/dbraw/zinc/38/57/35/296385735.db2.gz KBGAGFSDRBKLTE-FHWLQOOXSA-N 2 1 300.446 2.982 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([N@H+]3CCC[C@]4(CCOC4)C3)CC[NH2+]2)cc1 ZINC000423154828 296385737 /nfs/dbraw/zinc/38/57/37/296385737.db2.gz KBGAGFSDRBKLTE-FHWLQOOXSA-N 2 1 300.446 2.982 20 0 DFADMP Cc1nc(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])sc1Br ZINC000423162886 296387069 /nfs/dbraw/zinc/38/70/69/296387069.db2.gz URIMHUZDLULDOW-UWVGGRQHSA-N 2 1 318.284 2.821 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NCC1([N@@H+](C)Cc2ccccc2)CCC1 ZINC000423159216 296386497 /nfs/dbraw/zinc/38/64/97/296386497.db2.gz XPHNFAPQXWUYEB-AEFFLSMTSA-N 2 1 301.478 2.629 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCC23CCOCC3)c1 ZINC000423183758 296389836 /nfs/dbraw/zinc/38/98/36/296389836.db2.gz GYMQLOYOXRQNLI-QGZVFWFLSA-N 2 1 303.450 2.500 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](NC3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423194768 296390696 /nfs/dbraw/zinc/39/06/96/296390696.db2.gz YSKOEUXOWTVWRQ-SLFFLAALSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423194768 296390698 /nfs/dbraw/zinc/39/06/98/296390698.db2.gz YSKOEUXOWTVWRQ-SLFFLAALSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@@H]3CCC[C@H]32)cc1 ZINC000423194768 296390699 /nfs/dbraw/zinc/39/06/99/296390699.db2.gz YSKOEUXOWTVWRQ-SLFFLAALSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCCC[C@H](N[C@H]4CC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423205026 296392318 /nfs/dbraw/zinc/39/23/18/296392318.db2.gz BKGTZWDYTIIKSO-HAGHYFMRSA-N 2 1 313.489 2.629 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000423240193 296395932 /nfs/dbraw/zinc/39/59/32/296395932.db2.gz XAUOEHFFOWTUCM-IPJUCJBFSA-N 2 1 315.505 2.942 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423236013 296395506 /nfs/dbraw/zinc/39/55/06/296395506.db2.gz HBXXSYCYJBIQFX-LSTHTHJFSA-N 2 1 324.472 2.582 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+]1Cc1ccccc1 ZINC000620770542 399587661 /nfs/dbraw/zinc/58/76/61/399587661.db2.gz AWTCKWNVNDBQQF-NVXWUHKLSA-N 2 1 317.477 2.544 20 0 DFADMP CC(C)CCOc1ccc(C[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629386452 399589808 /nfs/dbraw/zinc/58/98/08/399589808.db2.gz AFHDTYVXGVPIDN-UHFFFAOYSA-N 2 1 306.450 2.709 20 0 DFADMP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156903100 197149383 /nfs/dbraw/zinc/14/93/83/197149383.db2.gz FIEJPSRNSGASSL-YJBOKZPZSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423261225 296397922 /nfs/dbraw/zinc/39/79/22/296397922.db2.gz RUXCKKGAEVMOAW-BJLQDIEVSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423261225 296397923 /nfs/dbraw/zinc/39/79/23/296397923.db2.gz RUXCKKGAEVMOAW-BJLQDIEVSA-N 2 1 315.505 2.876 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cnn(-c2ccc(F)cc2)c1C ZINC000423271285 296399070 /nfs/dbraw/zinc/39/90/70/296399070.db2.gz IVQRBBDFFLJBIO-QWHCGFSZSA-N 2 1 304.413 2.826 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000629406932 399594652 /nfs/dbraw/zinc/59/46/52/399594652.db2.gz QZXUUSNEFLKBHR-COLVAYQJSA-N 2 1 309.251 2.646 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423265800 296398537 /nfs/dbraw/zinc/39/85/37/296398537.db2.gz RJBSIKCVKLKPBF-RDTXWAMCSA-N 2 1 317.477 2.947 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C[NH2+]1 ZINC000629397531 399594000 /nfs/dbraw/zinc/59/40/00/399594000.db2.gz XDNMLIHJRSOHAG-DOMZBBRYSA-N 2 1 309.404 2.664 20 0 DFADMP C[C@H]1CC[C@@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C[NH2+]1 ZINC000629397533 399594239 /nfs/dbraw/zinc/59/42/39/399594239.db2.gz XDNMLIHJRSOHAG-SWLSCSKDSA-N 2 1 309.404 2.664 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423268942 296398877 /nfs/dbraw/zinc/39/88/77/296398877.db2.gz FGRRAWVMVWFCND-SWLSCSKDSA-N 2 1 309.251 2.633 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423282877 296400645 /nfs/dbraw/zinc/40/06/45/296400645.db2.gz DFIVHCQWHNSWGJ-OAHLLOKOSA-N 3 1 307.482 2.795 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423275524 296399833 /nfs/dbraw/zinc/39/98/33/296399833.db2.gz NFPDLWNCQAKANW-OJAHFUOMSA-N 3 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423275524 296399834 /nfs/dbraw/zinc/39/98/34/296399834.db2.gz NFPDLWNCQAKANW-OJAHFUOMSA-N 2 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423275524 296399836 /nfs/dbraw/zinc/39/98/36/296399836.db2.gz NFPDLWNCQAKANW-OJAHFUOMSA-N 2 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423280568 296400160 /nfs/dbraw/zinc/40/01/60/296400160.db2.gz URAOCLRTNZWOMY-SMDDNHRTSA-N 2 1 304.356 2.838 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C)c(C)n2n1 ZINC000271547486 209001131 /nfs/dbraw/zinc/00/11/31/209001131.db2.gz ZTVQUSOVWNVFJF-CQSZACIVSA-N 2 1 303.454 2.727 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)c(C)n2n1 ZINC000271547486 209001135 /nfs/dbraw/zinc/00/11/35/209001135.db2.gz ZTVQUSOVWNVFJF-CQSZACIVSA-N 2 1 303.454 2.727 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC(F)F ZINC000423314411 296403202 /nfs/dbraw/zinc/40/32/02/296403202.db2.gz HBMRULLFPNDXPY-BXKDBHETSA-N 2 1 300.349 2.685 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423324249 296404518 /nfs/dbraw/zinc/40/45/18/296404518.db2.gz AXBKRLNTCAJOPT-TZMCWYRMSA-N 2 1 302.397 2.580 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCOc2ccccc2)[C@H](C)C1 ZINC000155246331 197037041 /nfs/dbraw/zinc/03/70/41/197037041.db2.gz PBYKRZYBZIABEH-MJGOQNOKSA-N 2 1 320.477 2.792 20 0 DFADMP COC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000423372628 296409872 /nfs/dbraw/zinc/40/98/72/296409872.db2.gz RGUQAZQYIZLLGA-PPPKJHQXSA-N 2 1 324.415 2.958 20 0 DFADMP C[C@@H](C(=O)N(C)C1CCCCC1)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000331960465 533170229 /nfs/dbraw/zinc/17/02/29/533170229.db2.gz QJGATEOZIMCQEV-AWEZNQCLSA-N 2 1 318.465 2.769 20 0 DFADMP CC(C)(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1cc2ccccc2o1 ZINC000423401631 296412788 /nfs/dbraw/zinc/41/27/88/296412788.db2.gz GJFDOEBDBLAHMI-CKEIUWERSA-N 2 1 302.418 2.690 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000305756218 285245261 /nfs/dbraw/zinc/24/52/61/285245261.db2.gz AHXSLZSAAHTDAG-GOSISDBHSA-N 2 1 306.425 2.640 20 0 DFADMP c1ccc(-c2nc3c(s2)[C@@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423426817 296415532 /nfs/dbraw/zinc/41/55/32/296415532.db2.gz ICUMHGURBMXJDU-KNCOVGOOSA-N 2 1 311.454 2.995 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@]1(C)C(C)C ZINC000356445175 285248602 /nfs/dbraw/zinc/24/86/02/285248602.db2.gz JBTQLKSZJNQHFW-ZHALLVOQSA-N 2 1 323.525 2.543 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294810370 224235958 /nfs/dbraw/zinc/23/59/58/224235958.db2.gz NUDCYTFEKJNZNO-AOIWGVFYSA-N 2 1 304.478 2.895 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1CSCCc2ccccc21 ZINC000423468005 296418902 /nfs/dbraw/zinc/41/89/02/296418902.db2.gz DZMWZSZIPXGVLD-ZFWWWQNUSA-N 2 1 312.429 2.851 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(Br)c21 ZINC000423455752 296417923 /nfs/dbraw/zinc/41/79/23/296417923.db2.gz MVZWLXAPXSJOLJ-ATYMOLOSSA-N 2 1 307.235 2.805 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccncc2)cc1 ZINC000423504932 296423487 /nfs/dbraw/zinc/42/34/87/296423487.db2.gz GFHPOEVYPOUVLT-DNVCBOLYSA-N 2 1 311.429 2.778 20 0 DFADMP c1ccc(C[C@@H]([NH2+]C[C@H]2C[NH2+]CCCO2)c2ccccc2)cc1 ZINC000423511937 296424392 /nfs/dbraw/zinc/42/43/92/296424392.db2.gz KPTTVVKZQWEETJ-WOJBJXKFSA-N 2 1 310.441 2.939 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000120597732 195198820 /nfs/dbraw/zinc/19/88/20/195198820.db2.gz QIKZKCBZAISHBG-CGTJXYLNSA-N 2 1 318.461 2.593 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000120597732 195198821 /nfs/dbraw/zinc/19/88/21/195198821.db2.gz QIKZKCBZAISHBG-CGTJXYLNSA-N 2 1 318.461 2.593 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(O[C@@H]2CCOC2)c1 ZINC000120597732 195198824 /nfs/dbraw/zinc/19/88/24/195198824.db2.gz QIKZKCBZAISHBG-CGTJXYLNSA-N 2 1 318.461 2.593 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257508 399617883 /nfs/dbraw/zinc/61/78/83/399617883.db2.gz GLLKTBMCVAGEQQ-PBHICJAKSA-N 2 1 303.450 2.920 20 0 DFADMP O[C@@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000247171979 285302308 /nfs/dbraw/zinc/30/23/08/285302308.db2.gz UFAODSOQOQETPW-MSOLQXFVSA-N 2 1 306.425 2.809 20 0 DFADMP O[C@@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000247171979 285302309 /nfs/dbraw/zinc/30/23/09/285302309.db2.gz UFAODSOQOQETPW-MSOLQXFVSA-N 2 1 306.425 2.809 20 0 DFADMP CSC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CCCO2)CC1 ZINC000289679568 221149746 /nfs/dbraw/zinc/14/97/46/221149746.db2.gz MSKXAKKWHQJJIS-QGZVFWFLSA-N 2 1 320.502 2.763 20 0 DFADMP CSC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CCCO2)CC1 ZINC000289679568 221149748 /nfs/dbraw/zinc/14/97/48/221149748.db2.gz MSKXAKKWHQJJIS-QGZVFWFLSA-N 2 1 320.502 2.763 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000289688284 221155196 /nfs/dbraw/zinc/15/51/96/221155196.db2.gz IAXVINYEOAETPM-YJBOKZPZSA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000289688284 221155197 /nfs/dbraw/zinc/15/51/97/221155197.db2.gz IAXVINYEOAETPM-YJBOKZPZSA-N 2 1 316.493 2.810 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccccc4F)n3)C[C@H]12 ZINC000629520208 399634043 /nfs/dbraw/zinc/63/40/43/399634043.db2.gz UOZDJZWDIWJSLR-DIOULYMOSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccccc4F)n3)C[C@H]12 ZINC000629520208 399634047 /nfs/dbraw/zinc/63/40/47/399634047.db2.gz UOZDJZWDIWJSLR-DIOULYMOSA-N 2 1 301.365 2.650 20 0 DFADMP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629521665 399635529 /nfs/dbraw/zinc/63/55/29/399635529.db2.gz QTDFEJMEXGBFNW-GFCCVEGCSA-N 2 1 314.376 2.755 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc(N2CCCC2)n1 ZINC000289913250 221312160 /nfs/dbraw/zinc/31/21/60/221312160.db2.gz ULWOUUMEPICEKU-UWWQBHOKSA-N 2 1 316.493 2.809 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc(N2CCCC2)n1 ZINC000289913250 221312161 /nfs/dbraw/zinc/31/21/61/221312161.db2.gz ULWOUUMEPICEKU-UWWQBHOKSA-N 2 1 316.493 2.809 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000289974216 221354008 /nfs/dbraw/zinc/35/40/08/221354008.db2.gz XNHLZRBUVQGASI-VXGBXAGGSA-N 2 1 324.266 2.979 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043897 221398299 /nfs/dbraw/zinc/39/82/99/221398299.db2.gz RGRXNCGMVOIBPO-RHSMWYFYSA-N 2 1 308.853 2.584 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043897 221398301 /nfs/dbraw/zinc/39/83/01/221398301.db2.gz RGRXNCGMVOIBPO-RHSMWYFYSA-N 2 1 308.853 2.584 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043897 221398304 /nfs/dbraw/zinc/39/83/04/221398304.db2.gz RGRXNCGMVOIBPO-RHSMWYFYSA-N 2 1 308.853 2.584 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043897 221398307 /nfs/dbraw/zinc/39/83/07/221398307.db2.gz RGRXNCGMVOIBPO-RHSMWYFYSA-N 2 1 308.853 2.584 20 0 DFADMP CC[C@@H](c1ccc(Br)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629577442 399653294 /nfs/dbraw/zinc/65/32/94/399653294.db2.gz IAQMRMXOTJPSBO-AWEZNQCLSA-N 2 1 315.255 2.807 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000629575583 399653334 /nfs/dbraw/zinc/65/33/34/399653334.db2.gz JKNHGYBLRMUMSL-IEBWSBKVSA-N 2 1 302.462 2.844 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CC2 ZINC000629575585 399653912 /nfs/dbraw/zinc/65/39/12/399653912.db2.gz JKNHGYBLRMUMSL-MJGOQNOKSA-N 2 1 302.462 2.844 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629584320 399656221 /nfs/dbraw/zinc/65/62/21/399656221.db2.gz ORBYYBZKKHYETD-KDURUIRLSA-N 2 1 318.461 2.786 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629584320 399656225 /nfs/dbraw/zinc/65/62/25/399656225.db2.gz ORBYYBZKKHYETD-KDURUIRLSA-N 2 1 318.461 2.786 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(O)ccc2Cl)C1 ZINC000629549092 399643478 /nfs/dbraw/zinc/64/34/78/399643478.db2.gz QDWUYVSBPHUZHF-COXVUDFISA-N 2 1 324.852 2.906 20 0 DFADMP CCCC[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000629552427 399645707 /nfs/dbraw/zinc/64/57/07/399645707.db2.gz JSHTYHPJMLCPOW-QZTJIDSGSA-N 2 1 313.449 2.834 20 0 DFADMP CN(C)c1ccccc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561994 399650979 /nfs/dbraw/zinc/65/09/79/399650979.db2.gz KWKQZSBBNOSIMB-UONOGXRCSA-N 2 1 315.383 2.712 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629561994 399650982 /nfs/dbraw/zinc/65/09/82/399650982.db2.gz KWKQZSBBNOSIMB-UONOGXRCSA-N 2 1 315.383 2.712 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629566160 399651530 /nfs/dbraw/zinc/65/15/30/399651530.db2.gz MKGWEZQTLNFYIL-TZMCWYRMSA-N 2 1 302.340 2.525 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629566160 399651532 /nfs/dbraw/zinc/65/15/32/399651532.db2.gz MKGWEZQTLNFYIL-TZMCWYRMSA-N 2 1 302.340 2.525 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccccc1Oc1cccnc1 ZINC000629571578 399652076 /nfs/dbraw/zinc/65/20/76/399652076.db2.gz XDECJNFSOHUMNK-UHFFFAOYSA-N 2 1 315.417 2.542 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@@H](C)c1ccc(OC(F)F)cc1 ZINC000629571211 399652516 /nfs/dbraw/zinc/65/25/16/399652516.db2.gz JJHOZLCNHLPRPR-LBPRGKRZSA-N 2 1 302.365 2.517 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000629655386 399677447 /nfs/dbraw/zinc/67/74/47/399677447.db2.gz KFLGPOOSHTZXHE-KGLIPLIRSA-N 2 1 314.351 2.581 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc3c(c2)CCO3)CC[C@@H]1C(F)(F)F ZINC000629655386 399677449 /nfs/dbraw/zinc/67/74/49/399677449.db2.gz KFLGPOOSHTZXHE-KGLIPLIRSA-N 2 1 314.351 2.581 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000348070256 285329290 /nfs/dbraw/zinc/32/92/90/285329290.db2.gz IWRRRJQXQUKLSZ-MRXNPFEDSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](NC(=O)C(C)(C)C)C1 ZINC000348070256 285329293 /nfs/dbraw/zinc/32/92/93/285329293.db2.gz IWRRRJQXQUKLSZ-MRXNPFEDSA-N 2 1 320.481 2.598 20 0 DFADMP C[C@H]([NH3+])Cc1cccc(-c2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000629735117 399707498 /nfs/dbraw/zinc/70/74/98/399707498.db2.gz ITPWYSNDMKRIIU-KRWDZBQOSA-N 2 1 323.484 2.991 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCS1 ZINC000093502017 542552976 /nfs/dbraw/zinc/55/29/76/542552976.db2.gz MYWYVZLXLHVNBY-KRWDZBQOSA-N 2 1 308.491 2.954 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295128537 224456647 /nfs/dbraw/zinc/45/66/47/224456647.db2.gz XPWWBZGEMUTXHA-NQYYFHDYSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000295128537 224456649 /nfs/dbraw/zinc/45/66/49/224456649.db2.gz XPWWBZGEMUTXHA-NQYYFHDYSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000617504802 399720799 /nfs/dbraw/zinc/72/07/99/399720799.db2.gz KTGMDFQHVYWKMR-IKGGRYGDSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCCC[C@H]1C ZINC000617504802 399720802 /nfs/dbraw/zinc/72/08/02/399720802.db2.gz KTGMDFQHVYWKMR-IKGGRYGDSA-N 2 1 311.514 2.591 20 0 DFADMP CC(C)C[C@H](C)C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348089531 285339844 /nfs/dbraw/zinc/33/98/44/285339844.db2.gz VJOATJVDOBCGDD-HKUYNNGSSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)C[C@H](C)C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348089531 285339850 /nfs/dbraw/zinc/33/98/50/285339850.db2.gz VJOATJVDOBCGDD-HKUYNNGSSA-N 2 1 304.478 2.895 20 0 DFADMP CC[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000348104012 285351668 /nfs/dbraw/zinc/35/16/68/285351668.db2.gz NHYRUNKAVAAACL-OALUTQOASA-N 2 1 301.478 2.712 20 0 DFADMP COc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC(F)F ZINC000120975922 195275177 /nfs/dbraw/zinc/27/51/77/195275177.db2.gz HBCOMMFHMDNZFA-CYBMUJFWSA-N 2 1 314.376 2.680 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC(F)F ZINC000120975922 195275179 /nfs/dbraw/zinc/27/51/79/195275179.db2.gz HBCOMMFHMDNZFA-CYBMUJFWSA-N 2 1 314.376 2.680 20 0 DFADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)ccc1OC(F)F ZINC000120975922 195275180 /nfs/dbraw/zinc/27/51/80/195275180.db2.gz HBCOMMFHMDNZFA-CYBMUJFWSA-N 2 1 314.376 2.680 20 0 DFADMP COc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)ccc1OC(F)F ZINC000120975922 195275182 /nfs/dbraw/zinc/27/51/82/195275182.db2.gz HBCOMMFHMDNZFA-CYBMUJFWSA-N 2 1 314.376 2.680 20 0 DFADMP Cc1cc(NC[C@H](C)[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000121104102 195294123 /nfs/dbraw/zinc/29/41/23/195294123.db2.gz FRQQYJRVWWPVHG-ZDUSSCGKSA-N 2 1 303.381 2.815 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@](C)(O)C(F)(F)F ZINC000626063275 399742307 /nfs/dbraw/zinc/74/23/07/399742307.db2.gz YCGWRXSTHNRIDT-HNNXBMFYSA-N 2 1 318.383 2.883 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](O)CC(F)(F)F ZINC000626063196 399742783 /nfs/dbraw/zinc/74/27/83/399742783.db2.gz VFPYYNMEHSPKHV-OAHLLOKOSA-N 2 1 318.383 2.883 20 0 DFADMP COCCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309949325 533258531 /nfs/dbraw/zinc/25/85/31/533258531.db2.gz FICYPLSOJPCGPU-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP COCCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309949325 533258534 /nfs/dbraw/zinc/25/85/34/533258534.db2.gz FICYPLSOJPCGPU-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP COCCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309949325 533258537 /nfs/dbraw/zinc/25/85/37/533258537.db2.gz FICYPLSOJPCGPU-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000294924420 533374301 /nfs/dbraw/zinc/37/43/01/533374301.db2.gz JNKSCPCWNHPJEG-SFHVURJKSA-N 2 1 301.434 2.771 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000294924420 533374302 /nfs/dbraw/zinc/37/43/02/533374302.db2.gz JNKSCPCWNHPJEG-SFHVURJKSA-N 2 1 301.434 2.771 20 0 DFADMP C[C@H]1CCCC[C@@H]1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125241721 542600563 /nfs/dbraw/zinc/60/05/63/542600563.db2.gz DKDLZHNIDOVZCL-WMZOPIPTSA-N 2 1 303.450 2.799 20 0 DFADMP C[C@H]1CCCC[C@H]1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125242174 542600481 /nfs/dbraw/zinc/60/04/81/542600481.db2.gz DKDLZHNIDOVZCL-FUHWJXTLSA-N 2 1 303.450 2.799 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000626116206 399760849 /nfs/dbraw/zinc/76/08/49/399760849.db2.gz URFCNCFXZODDPT-GOSISDBHSA-N 2 1 300.446 2.977 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C(C)(C)c1ccc2ccccc2c1 ZINC000626116206 399760854 /nfs/dbraw/zinc/76/08/54/399760854.db2.gz URFCNCFXZODDPT-GOSISDBHSA-N 2 1 300.446 2.977 20 0 DFADMP CC[NH+](CC)Cc1cccc(CNC(=O)C[N@@H+](C)C2CCC2)c1 ZINC000629949712 399763912 /nfs/dbraw/zinc/76/39/12/399763912.db2.gz LFMQEHLZVOVJIY-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000132998832 542644364 /nfs/dbraw/zinc/64/43/64/542644364.db2.gz KMTSRQKNBHXAOL-LIRRHRJNSA-N 2 1 318.436 2.904 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966129 131308323 /nfs/dbraw/zinc/30/83/23/131308323.db2.gz ZANBMHKFIZKPRK-FUHWJXTLSA-N 2 1 324.896 2.907 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966129 131308324 /nfs/dbraw/zinc/30/83/24/131308324.db2.gz ZANBMHKFIZKPRK-FUHWJXTLSA-N 2 1 324.896 2.907 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287966129 131308326 /nfs/dbraw/zinc/30/83/26/131308326.db2.gz ZANBMHKFIZKPRK-FUHWJXTLSA-N 2 1 324.896 2.907 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)ccc1F ZINC000603517317 399786228 /nfs/dbraw/zinc/78/62/28/399786228.db2.gz OSNONTOWRICKRJ-KRWDZBQOSA-N 2 1 306.425 2.867 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC2([NH2+]C)CCC2)cc1 ZINC000630000072 399787778 /nfs/dbraw/zinc/78/77/78/399787778.db2.gz DOEOHMMSHOPZGH-UHFFFAOYSA-N 2 1 317.477 2.790 20 0 DFADMP c1ccc(CCOCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166234816 542749499 /nfs/dbraw/zinc/74/94/99/542749499.db2.gz ZKGXFBCVNYCIGR-RTBURBONSA-N 2 1 302.462 2.852 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166053248 542750317 /nfs/dbraw/zinc/75/03/17/542750317.db2.gz UAGJJHKTLKLIOO-ZWKOTPCHSA-N 2 1 315.461 2.998 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000166357196 542751275 /nfs/dbraw/zinc/75/12/75/542751275.db2.gz AFFYTMDSSKYXFP-CZUORRHYSA-N 2 1 323.868 2.576 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166381146 542751535 /nfs/dbraw/zinc/75/15/35/542751535.db2.gz MQDGEYLZLXUSOH-GVDBMIGSSA-N 2 1 305.466 2.879 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166726410 542752241 /nfs/dbraw/zinc/75/22/41/542752241.db2.gz FQCYKVDKIXJTBK-OWCLPIDISA-N 2 1 304.434 2.679 20 0 DFADMP CCc1nn(C)cc1C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000179989260 542782580 /nfs/dbraw/zinc/78/25/80/542782580.db2.gz MAPUHEHSBLZZRB-HNNXBMFYSA-N 2 1 313.449 2.620 20 0 DFADMP CCc1nn(C)cc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000179989260 542782584 /nfs/dbraw/zinc/78/25/84/542782584.db2.gz MAPUHEHSBLZZRB-HNNXBMFYSA-N 2 1 313.449 2.620 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2nc(-c3ccccn3)cs2)CC[N@H+]1C ZINC000181009966 542787265 /nfs/dbraw/zinc/78/72/65/542787265.db2.gz NGMXWDDMOXEJFW-KBPBESRZSA-N 2 1 316.474 2.820 20 0 DFADMP CCC[NH+]1CCC(Nc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000236797417 542897789 /nfs/dbraw/zinc/89/77/89/542897789.db2.gz BHBUSNXDDHCTPA-UHFFFAOYSA-N 2 1 317.477 2.805 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937623 542974801 /nfs/dbraw/zinc/97/48/01/542974801.db2.gz SFHCTXWUQAZYNR-IJCBKZNRSA-N 2 1 300.446 2.807 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000293774017 543021923 /nfs/dbraw/zinc/02/19/23/543021923.db2.gz SKJKDWJGPQGKJM-OCCSQVGLSA-N 2 1 315.383 2.963 20 0 DFADMP COCC[C@H](C)[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309982704 543066527 /nfs/dbraw/zinc/06/65/27/543066527.db2.gz VXLXDSXMBLSBMH-UHOSZYNNSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309982704 543066531 /nfs/dbraw/zinc/06/65/31/543066531.db2.gz VXLXDSXMBLSBMH-UHOSZYNNSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309982704 543066533 /nfs/dbraw/zinc/06/65/33/543066533.db2.gz VXLXDSXMBLSBMH-UHOSZYNNSA-N 2 1 302.462 2.865 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000604418271 399845697 /nfs/dbraw/zinc/84/56/97/399845697.db2.gz OWUYXKGBAQMJNF-MAUKXSAKSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000604418271 399845699 /nfs/dbraw/zinc/84/56/99/399845699.db2.gz OWUYXKGBAQMJNF-MAUKXSAKSA-N 2 1 305.466 2.617 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000339268948 543142799 /nfs/dbraw/zinc/14/27/99/543142799.db2.gz HHCADQWRVJBXFQ-KRWDZBQOSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000339268948 543142801 /nfs/dbraw/zinc/14/28/01/543142801.db2.gz HHCADQWRVJBXFQ-KRWDZBQOSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000339268948 543142803 /nfs/dbraw/zinc/14/28/03/543142803.db2.gz HHCADQWRVJBXFQ-KRWDZBQOSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000339266327 543142821 /nfs/dbraw/zinc/14/28/21/543142821.db2.gz YGKBVDNHAUJOKY-HNNXBMFYSA-N 2 1 309.498 2.630 20 0 DFADMP CC1CC[NH+](CCCCNC(=O)CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000339262629 543142888 /nfs/dbraw/zinc/14/28/88/543142888.db2.gz FIHGBZVKJORVDR-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000339278969 543143262 /nfs/dbraw/zinc/14/32/62/543143262.db2.gz NNXQBEONPVUICP-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339072150 543139688 /nfs/dbraw/zinc/13/96/88/543139688.db2.gz UAGJJHKTLKLIOO-ROUUACIJSA-N 2 1 315.461 2.998 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339068373 543139902 /nfs/dbraw/zinc/13/99/02/543139902.db2.gz GFCQQTNPFOFRMU-PMPSAXMXSA-N 2 1 304.434 2.679 20 0 DFADMP COc1ccc(COCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339067218 543140232 /nfs/dbraw/zinc/14/02/32/543140232.db2.gz FKYCVDLFRFYYNG-ROUUACIJSA-N 2 1 318.461 2.818 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070259 543140273 /nfs/dbraw/zinc/14/02/73/543140273.db2.gz ZWVREICJEOJFQJ-SJORKVTESA-N 2 1 312.461 2.951 20 0 DFADMP C(N[C@H]1CC[N@H+]2CCC[C@H]2C1)C1([NH+]2CCSCC2)CCCC1 ZINC000339076604 543140295 /nfs/dbraw/zinc/14/02/95/543140295.db2.gz VAOXKUCJLTZXDL-IRXDYDNUSA-N 2 1 323.550 2.564 20 0 DFADMP C([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000339076604 543140299 /nfs/dbraw/zinc/14/02/99/543140299.db2.gz VAOXKUCJLTZXDL-IRXDYDNUSA-N 2 1 323.550 2.564 20 0 DFADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000339076604 543140300 /nfs/dbraw/zinc/14/03/00/543140300.db2.gz VAOXKUCJLTZXDL-IRXDYDNUSA-N 2 1 323.550 2.564 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000339233461 543142149 /nfs/dbraw/zinc/14/21/49/543142149.db2.gz CNRFVRSXMOVXOI-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CCO[C@H](C[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000625180433 399858189 /nfs/dbraw/zinc/85/81/89/399858189.db2.gz LUUQDCLECMQOAN-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000625180433 399858191 /nfs/dbraw/zinc/85/81/91/399858191.db2.gz LUUQDCLECMQOAN-DOTOQJQBSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CC[C@@H]3C3CC3)CC2)nc(C)[nH+]1 ZINC000348065258 543182986 /nfs/dbraw/zinc/18/29/86/543182986.db2.gz BPCYVFDITFLNPP-IAGOWNOFSA-N 2 1 300.450 2.840 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CC[C@H]2C2CC2)c1 ZINC000348088618 543183166 /nfs/dbraw/zinc/18/31/66/543183166.db2.gz RHONCYSYAUNURA-RBUKOAKNSA-N 2 1 300.446 2.797 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH2+]2)CC[N@H+]1Cc1ccccc1 ZINC000379659409 543297531 /nfs/dbraw/zinc/29/75/31/543297531.db2.gz ZVQFQEOSGLUAPX-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP COc1cc(C[NH2+]CCc2c[nH+]cn2C)ccc1OC(C)C ZINC000401765510 543312494 /nfs/dbraw/zinc/31/24/94/543312494.db2.gz FXUAZNVTYLIBJL-UHFFFAOYSA-N 2 1 303.406 2.548 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOc2ccc(OC)cc2)C1 ZINC000072858112 145190392 /nfs/dbraw/zinc/19/03/92/145190392.db2.gz SVNOPSDNRJZVRK-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOc2ccc(OC)cc2)C1 ZINC000072858112 145190394 /nfs/dbraw/zinc/19/03/94/145190394.db2.gz SVNOPSDNRJZVRK-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000072858112 145190396 /nfs/dbraw/zinc/19/03/96/145190396.db2.gz SVNOPSDNRJZVRK-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000165347484 145229413 /nfs/dbraw/zinc/22/94/13/145229413.db2.gz JCAVKIUHBRDUSB-IEBWSBKVSA-N 2 1 316.489 2.956 20 0 DFADMP C[C@@H](NC[C@H](C1CC1)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000166197497 145232730 /nfs/dbraw/zinc/23/27/30/145232730.db2.gz ROVPOWNXRFKQJT-DNVCBOLYSA-N 2 1 319.493 2.618 20 0 DFADMP C[C@@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000166197256 145233437 /nfs/dbraw/zinc/23/34/37/145233437.db2.gz ROVPOWNXRFKQJT-BEFAXECRSA-N 2 1 319.493 2.618 20 0 DFADMP CCOc1cc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000168811866 145244216 /nfs/dbraw/zinc/24/42/16/145244216.db2.gz FGICBCFJOOMQPK-SQWLQELKSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000168811866 145244222 /nfs/dbraw/zinc/24/42/22/145244222.db2.gz FGICBCFJOOMQPK-SQWLQELKSA-N 2 1 306.450 2.912 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C[C@H]1c1ccccc1 ZINC000414337141 543325795 /nfs/dbraw/zinc/32/57/95/543325795.db2.gz KNBDYOFQNSRUDS-NQYYFHDYSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](CO)C2)C[C@H]1c1ccccc1 ZINC000414337141 543325796 /nfs/dbraw/zinc/32/57/96/543325796.db2.gz KNBDYOFQNSRUDS-NQYYFHDYSA-N 2 1 302.462 2.963 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)C1 ZINC000414925359 543327750 /nfs/dbraw/zinc/32/77/50/543327750.db2.gz LQMJQAHQFUBNSP-MJGOQNOKSA-N 2 1 319.468 2.692 20 0 DFADMP Cc1csc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000173209549 145336933 /nfs/dbraw/zinc/33/69/33/145336933.db2.gz BZCAUEDZGOGPED-GASCZTMLSA-N 2 1 323.506 2.773 20 0 DFADMP Cc1csc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)n1 ZINC000173209549 145336936 /nfs/dbraw/zinc/33/69/36/145336936.db2.gz BZCAUEDZGOGPED-GASCZTMLSA-N 2 1 323.506 2.773 20 0 DFADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633335478 399888419 /nfs/dbraw/zinc/88/84/19/399888419.db2.gz YQEJDERVFLPABI-INIZCTEOSA-N 2 1 312.417 2.633 20 0 DFADMP CC[C@H]1CN(CC)CCN1C(=O)c1ccc(-c2c[nH]cn2)cc1 ZINC000633335478 399888420 /nfs/dbraw/zinc/88/84/20/399888420.db2.gz YQEJDERVFLPABI-INIZCTEOSA-N 2 1 312.417 2.633 20 0 DFADMP COc1cc(C[NH+](C)C)ccc1NC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000633373072 399894210 /nfs/dbraw/zinc/89/42/10/399894210.db2.gz HZMMDTWADITOAN-OKILXGFUSA-N 2 1 319.449 2.568 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630509541 399896608 /nfs/dbraw/zinc/89/66/08/399896608.db2.gz NPUGFBCKPPVPFE-HUUCEWRRSA-N 2 1 323.444 2.560 20 0 DFADMP [NH3+]Cc1cccc(-n2cc(C[NH2+][C@@H]3CCc4ccccc43)nn2)c1 ZINC000630608010 399909531 /nfs/dbraw/zinc/90/95/31/399909531.db2.gz SDANUPDZYRNNBC-LJQANCHMSA-N 2 1 319.412 2.503 20 0 DFADMP CC1CC[NH+](CCC[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631035187 399966106 /nfs/dbraw/zinc/96/61/06/399966106.db2.gz CCJBOXGEOVKVIC-UHFFFAOYSA-N 2 1 304.482 2.511 20 0 DFADMP Cc1scc(C[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1C ZINC000631063700 399972308 /nfs/dbraw/zinc/97/23/08/399972308.db2.gz GKPRVDWIGJLJAE-UHFFFAOYSA-N 2 1 309.523 2.728 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnn1CC1CCC1 ZINC000631065472 399972936 /nfs/dbraw/zinc/97/29/36/399972936.db2.gz ZAERRECGIANMGE-CQSZACIVSA-N 2 1 301.438 2.614 20 0 DFADMP Cn1nc2c(c1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)CCCC2 ZINC000631075123 399975288 /nfs/dbraw/zinc/97/52/88/399975288.db2.gz MRZJTUAURYUJIM-QGZVFWFLSA-N 2 1 306.498 2.755 20 0 DFADMP CC(C)(C)[N@H+]1CCCN(C(=O)NCC2([NH3+])CCCCCC2)CC1 ZINC000634037633 399977007 /nfs/dbraw/zinc/97/70/07/399977007.db2.gz ZMSQXEBSGSITKX-UHFFFAOYSA-N 2 1 324.513 2.554 20 0 DFADMP C[N@H+]1CCCC[C@H](CNC(=O)c2ccc(-c3c[nH]cn3)cc2)C1 ZINC000633678467 399933688 /nfs/dbraw/zinc/93/36/88/399933688.db2.gz DXCCOSLXBXYKJU-CQSZACIVSA-N 2 1 312.417 2.538 20 0 DFADMP CSc1ccc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420361966 543339388 /nfs/dbraw/zinc/33/93/88/543339388.db2.gz HKKSQGYLZAYKOH-QGZVFWFLSA-N 2 1 306.475 2.863 20 0 DFADMP CSc1ccc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000420361966 543339390 /nfs/dbraw/zinc/33/93/90/543339390.db2.gz HKKSQGYLZAYKOH-QGZVFWFLSA-N 2 1 306.475 2.863 20 0 DFADMP CN(C)c1c(C[N@@H+](C)CC2CC[NH+](C)CC2)ccc(F)c1F ZINC000628163746 399994198 /nfs/dbraw/zinc/99/41/98/399994198.db2.gz QBRCJRITFMMBFP-UHFFFAOYSA-N 2 1 311.420 2.804 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000631192799 399999889 /nfs/dbraw/zinc/99/98/89/399999889.db2.gz AMVVQKSBKAQESI-CRAIPNDOSA-N 2 1 312.461 2.586 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000631192799 399999891 /nfs/dbraw/zinc/99/98/91/399999891.db2.gz AMVVQKSBKAQESI-CRAIPNDOSA-N 2 1 312.461 2.586 20 0 DFADMP CCn1cncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195065 400000974 /nfs/dbraw/zinc/00/09/74/400000974.db2.gz SHYLOKWYVUKYDG-SJLPKXTDSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1cncc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195065 400000976 /nfs/dbraw/zinc/00/09/76/400000976.db2.gz SHYLOKWYVUKYDG-SJLPKXTDSA-N 2 1 312.461 2.761 20 0 DFADMP Cc1nc(C)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000628204567 400001206 /nfs/dbraw/zinc/00/12/06/400001206.db2.gz DDRZREPEHZHELX-UHFFFAOYSA-N 2 1 303.406 2.522 20 0 DFADMP Cc1ncc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)o1 ZINC000628265792 400010299 /nfs/dbraw/zinc/01/02/99/400010299.db2.gz RKFJSYBUBANZOD-UHFFFAOYSA-N 2 1 315.417 2.746 20 0 DFADMP Cc1ccc([C@@H](C)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000628323082 400020629 /nfs/dbraw/zinc/02/06/29/400020629.db2.gz YWQKWGZKNJFLAX-KRWDZBQOSA-N 2 1 302.462 2.895 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000628352399 400024772 /nfs/dbraw/zinc/02/47/72/400024772.db2.gz HARUOKHDWMVHSZ-KRWDZBQOSA-N 2 1 301.434 2.711 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3[nH]ccc3c2)CCO1 ZINC000628352399 400024773 /nfs/dbraw/zinc/02/47/73/400024773.db2.gz HARUOKHDWMVHSZ-KRWDZBQOSA-N 2 1 301.434 2.711 20 0 DFADMP Cc1ccc([C@@H](C)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000628352121 400025194 /nfs/dbraw/zinc/02/51/94/400025194.db2.gz XTCSJFJUNFOOFI-LPHOPBHVSA-N 2 1 302.462 2.630 20 0 DFADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000631582196 400054841 /nfs/dbraw/zinc/05/48/41/400054841.db2.gz YRCLAGFNIDQJBN-QFBILLFUSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000631661628 400063242 /nfs/dbraw/zinc/06/32/42/400063242.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631661628 400063243 /nfs/dbraw/zinc/06/32/43/400063243.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631661628 400063244 /nfs/dbraw/zinc/06/32/44/400063244.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000631661628 400063245 /nfs/dbraw/zinc/06/32/45/400063245.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000631661628 400063246 /nfs/dbraw/zinc/06/32/46/400063246.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000631661628 400063247 /nfs/dbraw/zinc/06/32/47/400063247.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000631661628 400063248 /nfs/dbraw/zinc/06/32/48/400063248.db2.gz AMRKBJGQDQGLIO-LCLWPZTBSA-N 3 1 315.505 2.827 20 0 DFADMP CCOC1CC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631661644 400063260 /nfs/dbraw/zinc/06/32/60/400063260.db2.gz ARHBNIBJUYBVCI-SVUBNXHSSA-N 2 1 302.462 2.912 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000631665661 400064030 /nfs/dbraw/zinc/06/40/30/400064030.db2.gz XCSZGLROFBFRRJ-LZQZEXGQSA-N 2 1 302.462 2.769 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000631665302 400064166 /nfs/dbraw/zinc/06/41/66/400064166.db2.gz VEUUIGDUXBZNHE-FPAYPSAMSA-N 2 1 302.462 2.769 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000631673225 400065061 /nfs/dbraw/zinc/06/50/61/400065061.db2.gz RSCNSVMIJHYRPS-PXTPFGJHSA-N 2 1 314.473 2.790 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2CCOC3)C[C@H]1c1ccccc1 ZINC000631825164 400077995 /nfs/dbraw/zinc/07/79/95/400077995.db2.gz AYKZBDMQQHGKCP-CTNGQTDRSA-N 2 1 322.452 2.934 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000631828934 400078155 /nfs/dbraw/zinc/07/81/55/400078155.db2.gz CECMTFNWWDXUAL-OAHLLOKOSA-N 2 1 304.438 2.549 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@H]1C[NH3+] ZINC000631837003 400078765 /nfs/dbraw/zinc/07/87/65/400078765.db2.gz LJJUBDRVXBBWDO-WBVHZDCISA-N 2 1 311.429 2.687 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@H]1C[NH3+] ZINC000631840902 400078852 /nfs/dbraw/zinc/07/88/52/400078852.db2.gz VZOBJEVXDROQAK-MAUKXSAKSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@H]1C[NH3+] ZINC000631839826 400078967 /nfs/dbraw/zinc/07/89/67/400078967.db2.gz LKCSOFUDYNYBNN-WCQYABFASA-N 2 1 302.340 2.654 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000631840042 400079038 /nfs/dbraw/zinc/07/90/38/400079038.db2.gz OVDPKKSGQUZIOI-WCQYABFASA-N 2 1 302.340 2.654 20 0 DFADMP c1ccc(CN2CCC[C@@H]([NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000236586833 146021998 /nfs/dbraw/zinc/02/19/98/146021998.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H](NC[C@@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000236586833 146022001 /nfs/dbraw/zinc/02/20/01/146022001.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](NC[C@@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000236586833 146022003 /nfs/dbraw/zinc/02/20/03/146022003.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H](NC[C@@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000236586833 146022004 /nfs/dbraw/zinc/02/20/04/146022004.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H](NC[C@@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000236586833 146022005 /nfs/dbraw/zinc/02/20/05/146022005.db2.gz KSPTZZXKXIIEJF-RBUKOAKNSA-N 2 1 313.489 2.725 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236767174 146025936 /nfs/dbraw/zinc/02/59/36/146025936.db2.gz IENWXJDYZRSTPP-QZTJIDSGSA-N 2 1 317.477 2.675 20 0 DFADMP CCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000237033685 146034790 /nfs/dbraw/zinc/03/47/90/146034790.db2.gz KNYCDUDGIJDPEU-DOTOQJQBSA-N 2 1 317.477 2.798 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C2CCOCC2)C3)cc1 ZINC000245642559 146090308 /nfs/dbraw/zinc/09/03/08/146090308.db2.gz BCFYZJOJULOLLZ-REPLKXPHSA-N 2 1 300.446 2.951 20 0 DFADMP CCC[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710384 146097094 /nfs/dbraw/zinc/09/70/94/146097094.db2.gz NDHVIYILBLJWHH-AKHDSKFASA-N 2 1 302.462 2.933 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000245781544 146102282 /nfs/dbraw/zinc/10/22/82/146102282.db2.gz UKMLMIJNJQPCIH-FUHWJXTLSA-N 2 1 316.493 2.844 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000245781544 146102284 /nfs/dbraw/zinc/10/22/84/146102284.db2.gz UKMLMIJNJQPCIH-FUHWJXTLSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000245781544 146102286 /nfs/dbraw/zinc/10/22/86/146102286.db2.gz UKMLMIJNJQPCIH-FUHWJXTLSA-N 2 1 316.493 2.844 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000245781544 146102288 /nfs/dbraw/zinc/10/22/88/146102288.db2.gz UKMLMIJNJQPCIH-FUHWJXTLSA-N 2 1 316.493 2.844 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000245791981 146103132 /nfs/dbraw/zinc/10/31/32/146103132.db2.gz NZKQYCIQSSWZJA-KZNAEPCWSA-N 2 1 323.525 2.830 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000246089159 146118777 /nfs/dbraw/zinc/11/87/77/146118777.db2.gz ILZCUTHEIXOWJW-HZPDHXFCSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1OC ZINC000246089159 146118780 /nfs/dbraw/zinc/11/87/80/146118780.db2.gz ILZCUTHEIXOWJW-HZPDHXFCSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC ZINC000246089159 146118785 /nfs/dbraw/zinc/11/87/85/146118785.db2.gz ILZCUTHEIXOWJW-HZPDHXFCSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1OC ZINC000246089159 146118788 /nfs/dbraw/zinc/11/87/88/146118788.db2.gz ILZCUTHEIXOWJW-HZPDHXFCSA-N 2 1 304.434 2.620 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2C[NH2+][C@H]2CCSC2)C[C@H](C)O1 ZINC000247111977 146162565 /nfs/dbraw/zinc/16/25/65/146162565.db2.gz TVYVRQXPUMGAGP-DAYGRLMNSA-N 2 1 320.502 2.891 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1OC ZINC000247146954 146163357 /nfs/dbraw/zinc/16/33/57/146163357.db2.gz SQUOATIARKSAQX-YQQAZPJKSA-N 2 1 320.477 2.955 20 0 DFADMP C[NH+](C)[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000249000283 146181423 /nfs/dbraw/zinc/18/14/23/146181423.db2.gz QGKJLSOVYJDHPW-HQSKLWIPSA-N 2 1 305.441 2.643 20 0 DFADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)c1ccc(F)cc1 ZINC000249000283 146181426 /nfs/dbraw/zinc/18/14/26/146181426.db2.gz QGKJLSOVYJDHPW-HQSKLWIPSA-N 2 1 305.441 2.643 20 0 DFADMP CN(C)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc(F)cc1 ZINC000249000283 146181432 /nfs/dbraw/zinc/18/14/32/146181432.db2.gz QGKJLSOVYJDHPW-HQSKLWIPSA-N 2 1 305.441 2.643 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249059346 146185403 /nfs/dbraw/zinc/18/54/03/146185403.db2.gz ZOIBFLBFJRAZJC-SCIMBWJRSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)C1 ZINC000249059346 146185404 /nfs/dbraw/zinc/18/54/04/146185404.db2.gz ZOIBFLBFJRAZJC-SCIMBWJRSA-N 2 1 307.526 2.959 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cs1 ZINC000453114737 543371061 /nfs/dbraw/zinc/37/10/61/543371061.db2.gz RWJRKDKRBVFLAV-CQSZACIVSA-N 2 1 323.506 2.650 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000250672673 146211371 /nfs/dbraw/zinc/21/13/71/146211371.db2.gz NKWQVQVRQCQJPP-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000250672673 146211376 /nfs/dbraw/zinc/21/13/76/146211376.db2.gz NKWQVQVRQCQJPP-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000250672673 146211379 /nfs/dbraw/zinc/21/13/79/146211379.db2.gz NKWQVQVRQCQJPP-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000250672673 146211383 /nfs/dbraw/zinc/21/13/83/146211383.db2.gz NKWQVQVRQCQJPP-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000252893759 146223433 /nfs/dbraw/zinc/22/34/33/146223433.db2.gz RVHDBGANZOSGMV-BXUZGUMPSA-N 2 1 310.825 2.541 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000252893759 146223435 /nfs/dbraw/zinc/22/34/35/146223435.db2.gz RVHDBGANZOSGMV-BXUZGUMPSA-N 2 1 310.825 2.541 20 0 DFADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000261543976 146237639 /nfs/dbraw/zinc/23/76/39/146237639.db2.gz DJKSYITUNZKNBK-HNNXBMFYSA-N 2 1 323.440 2.540 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@@H](CNC3CC[NH2+]CC3)C2)cc1 ZINC000261540528 146238335 /nfs/dbraw/zinc/23/83/35/146238335.db2.gz FAYFNAJKNMGYTD-SFHVURJKSA-N 2 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@H+]2CCCC[C@@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000261540528 146238338 /nfs/dbraw/zinc/23/83/38/146238338.db2.gz FAYFNAJKNMGYTD-SFHVURJKSA-N 3 1 301.478 2.630 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@@H](C[NH2+]C3CC[NH2+]CC3)C2)cc1 ZINC000261540528 146238343 /nfs/dbraw/zinc/23/83/43/146238343.db2.gz FAYFNAJKNMGYTD-SFHVURJKSA-N 3 1 301.478 2.630 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000261554901 146239437 /nfs/dbraw/zinc/23/94/37/146239437.db2.gz PHXHXQBYXACWPN-NOZJJQNGSA-N 2 1 301.203 2.676 20 0 DFADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261549715 146239452 /nfs/dbraw/zinc/23/94/52/146239452.db2.gz PCFDUKGRRMXQLN-IBGZPJMESA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000261552502 146239707 /nfs/dbraw/zinc/23/97/07/146239707.db2.gz RNXLMPRIRNDASO-AWUBQHKLSA-N 3 1 313.489 2.757 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000261564371 146241597 /nfs/dbraw/zinc/24/15/97/146241597.db2.gz HHSCCAOVJKZAAF-WHOFXGATSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000261564371 146241601 /nfs/dbraw/zinc/24/16/01/146241601.db2.gz HHSCCAOVJKZAAF-WHOFXGATSA-N 2 1 309.251 2.927 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261626925 146249834 /nfs/dbraw/zinc/24/98/34/146249834.db2.gz HFTUBZDRRULYJV-JSGCOSHPSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000261626925 146249837 /nfs/dbraw/zinc/24/98/37/146249837.db2.gz HFTUBZDRRULYJV-JSGCOSHPSA-N 2 1 300.324 2.769 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@@H]21 ZINC000261644303 146252669 /nfs/dbraw/zinc/25/26/69/146252669.db2.gz AMPCTJWVFBRSSZ-JEBQAFNWSA-N 2 1 314.408 2.571 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261681173 146257890 /nfs/dbraw/zinc/25/78/90/146257890.db2.gz MMPCVZLFJPOBDI-OCCSQVGLSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261681173 146257895 /nfs/dbraw/zinc/25/78/95/146257895.db2.gz MMPCVZLFJPOBDI-OCCSQVGLSA-N 2 1 300.324 2.769 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261684011 146259348 /nfs/dbraw/zinc/25/93/48/146259348.db2.gz ANBXHWAPQAGPKM-UHFFFAOYSA-N 2 1 310.445 2.756 20 0 DFADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261694540 146260945 /nfs/dbraw/zinc/26/09/45/146260945.db2.gz NOKSLLPBSHIWSL-RWMBFGLXSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000261694540 146260947 /nfs/dbraw/zinc/26/09/47/146260947.db2.gz NOKSLLPBSHIWSL-RWMBFGLXSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1cccc2nc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cn21 ZINC000261704174 146262141 /nfs/dbraw/zinc/26/21/41/146262141.db2.gz JZUQFFIQCIARJR-MJGOQNOKSA-N 2 1 320.440 2.817 20 0 DFADMP Cc1cccc2nc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cn21 ZINC000261704174 146262144 /nfs/dbraw/zinc/26/21/44/146262144.db2.gz JZUQFFIQCIARJR-MJGOQNOKSA-N 2 1 320.440 2.817 20 0 DFADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000261726792 146266954 /nfs/dbraw/zinc/26/69/54/146266954.db2.gz JSUDXNOKYCYBDV-LJQANCHMSA-N 2 1 311.429 2.831 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000261726792 146266958 /nfs/dbraw/zinc/26/69/58/146266958.db2.gz JSUDXNOKYCYBDV-LJQANCHMSA-N 2 1 311.429 2.831 20 0 DFADMP O=C(C[C@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000261751418 146271040 /nfs/dbraw/zinc/27/10/40/146271040.db2.gz CEQCDPYLOXJQDZ-RHSMWYFYSA-N 2 1 304.409 2.863 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c[nH]nc32)C[C@H]1c1ccccc1 ZINC000261761396 146271932 /nfs/dbraw/zinc/27/19/32/146271932.db2.gz RFOFXZLZIMOUCG-MSOLQXFVSA-N 2 1 306.413 2.737 20 0 DFADMP Cc1ncsc1C[N@H+](C[C@H]1CCSC1)C[C@H]1CC[NH2+]C1 ZINC000261773886 146274852 /nfs/dbraw/zinc/27/48/52/146274852.db2.gz DWMPHOOYHGCILN-UONOGXRCSA-N 2 1 311.520 2.616 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccc(F)cc2)C[C@H]1c1ccccc1 ZINC000261773929 146274987 /nfs/dbraw/zinc/27/49/87/146274987.db2.gz PAMIDCLFHHGTIZ-APWZRJJASA-N 2 1 314.404 2.879 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261800237 146279301 /nfs/dbraw/zinc/27/93/01/146279301.db2.gz VTBFDONPHXXTAH-AHIWAGSCSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@@](C)(C[NH3+])C1 ZINC000261800237 146279303 /nfs/dbraw/zinc/27/93/03/146279303.db2.gz VTBFDONPHXXTAH-AHIWAGSCSA-N 2 1 323.868 2.576 20 0 DFADMP C[N@H+]1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)[C@H](c2ccccc2)C1 ZINC000261808387 146280151 /nfs/dbraw/zinc/28/01/51/146280151.db2.gz GDKSBAVCXHACKN-OALUTQOASA-N 2 1 323.440 2.592 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000261816888 146281477 /nfs/dbraw/zinc/28/14/77/146281477.db2.gz GZBZZOFBMVFKEQ-ZYSHUDEJSA-N 2 1 318.461 2.913 20 0 DFADMP c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CCC2)cc1 ZINC000261862333 146291008 /nfs/dbraw/zinc/29/10/08/146291008.db2.gz CEYGRSOGSROVJP-IPMKNSEASA-N 2 1 314.473 2.855 20 0 DFADMP c1ccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CCC2)cc1 ZINC000261862339 146291034 /nfs/dbraw/zinc/29/10/34/146291034.db2.gz CEYGRSOGSROVJP-OTWHNJEPSA-N 2 1 314.473 2.855 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261894198 146296226 /nfs/dbraw/zinc/29/62/26/146296226.db2.gz GWVSPNHJKYQCTK-KSZLIROESA-N 2 1 318.461 2.721 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261894201 146297024 /nfs/dbraw/zinc/29/70/24/146297024.db2.gz GWVSPNHJKYQCTK-KURKYZTESA-N 2 1 318.461 2.721 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261898672 146297784 /nfs/dbraw/zinc/29/77/84/146297784.db2.gz ONYPWSCHPJTLBO-BBWFWOEESA-N 2 1 315.461 2.610 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261898672 146297786 /nfs/dbraw/zinc/29/77/86/146297786.db2.gz ONYPWSCHPJTLBO-BBWFWOEESA-N 2 1 315.461 2.610 20 0 DFADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1Cl ZINC000261920604 146301911 /nfs/dbraw/zinc/30/19/11/146301911.db2.gz HXTGIKVVIUHZKR-KGLIPLIRSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1Cl ZINC000261920604 146301912 /nfs/dbraw/zinc/30/19/12/146301912.db2.gz HXTGIKVVIUHZKR-KGLIPLIRSA-N 2 1 323.868 2.721 20 0 DFADMP c1coc(-c2cc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)no2)c1 ZINC000261926343 146302886 /nfs/dbraw/zinc/30/28/86/146302886.db2.gz IQXIGXFDTBOIOT-OAHLLOKOSA-N 2 1 301.390 2.899 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261931356 146304566 /nfs/dbraw/zinc/30/45/66/146304566.db2.gz CTXBSHJFDVETNH-UHFFFAOYSA-N 2 1 318.852 2.802 20 0 DFADMP c1cn(-c2ccccc2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000261943852 146306946 /nfs/dbraw/zinc/30/69/46/146306946.db2.gz NAILXDLCCMDIFE-SFHVURJKSA-N 2 1 310.445 2.836 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000261950903 146308326 /nfs/dbraw/zinc/30/83/26/146308326.db2.gz MXCTYGXOBSZMFD-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000261950903 146308327 /nfs/dbraw/zinc/30/83/27/146308327.db2.gz MXCTYGXOBSZMFD-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP CCC[N@@H+](C[C@H]1COc2ccccc2O1)C[C@@]1(C)CC[NH2+]C1 ZINC000261970983 146311611 /nfs/dbraw/zinc/31/16/11/146311611.db2.gz IFINKKUAHXYQKJ-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP c1csc(C[N@H+](CC[C@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261976566 146313842 /nfs/dbraw/zinc/31/38/42/146313842.db2.gz QWHCCWJNPUPOOI-LSDHHAIUSA-N 2 1 321.490 2.514 20 0 DFADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000261982217 146315827 /nfs/dbraw/zinc/31/58/27/146315827.db2.gz INFJIRLQBGHTKZ-UHFFFAOYSA-N 2 1 303.450 2.509 20 0 DFADMP Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261987152 146317546 /nfs/dbraw/zinc/31/75/46/146317546.db2.gz SFMMIAYIJHOGTF-ZACQAIPSSA-N 2 1 308.853 2.629 20 0 DFADMP Clc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)s1 ZINC000262007033 146320386 /nfs/dbraw/zinc/32/03/86/146320386.db2.gz VEPGBCILIRFUFP-MJBXVCDLSA-N 2 1 314.882 2.691 20 0 DFADMP CCOc1ccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000262012379 146322107 /nfs/dbraw/zinc/32/21/07/146322107.db2.gz MJUXCXPDDNDEKN-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)cc1OCC ZINC000262012379 146322109 /nfs/dbraw/zinc/32/21/09/146322109.db2.gz MJUXCXPDDNDEKN-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000262016280 146322317 /nfs/dbraw/zinc/32/23/17/146322317.db2.gz WAZHMZSWYALUGT-UHOSZYNNSA-N 2 1 302.462 2.859 20 0 DFADMP CCOc1cc(C[N@@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000262016039 146322711 /nfs/dbraw/zinc/32/27/11/146322711.db2.gz XBVLWKJSXHBHSS-ZDUSSCGKSA-N 2 1 314.376 2.857 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000262016039 146322714 /nfs/dbraw/zinc/32/27/14/146322714.db2.gz XBVLWKJSXHBHSS-ZDUSSCGKSA-N 2 1 314.376 2.857 20 0 DFADMP Fc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)C2CCOCC2)cc1 ZINC000262018850 146324094 /nfs/dbraw/zinc/32/40/94/146324094.db2.gz VXBZSXHXFYUIEU-INIZCTEOSA-N 2 1 306.425 2.806 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262070093 146330192 /nfs/dbraw/zinc/33/01/92/146330192.db2.gz RZXKQBXLNFJLLQ-IBGZPJMESA-N 2 1 310.445 2.675 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000262070093 146330195 /nfs/dbraw/zinc/33/01/95/146330195.db2.gz RZXKQBXLNFJLLQ-IBGZPJMESA-N 2 1 310.445 2.675 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262112467 146334352 /nfs/dbraw/zinc/33/43/52/146334352.db2.gz WQABEFSJJPMPGR-HKUYNNGSSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262112467 146334354 /nfs/dbraw/zinc/33/43/54/146334354.db2.gz WQABEFSJJPMPGR-HKUYNNGSSA-N 2 1 307.526 2.963 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1 ZINC000262112467 146334356 /nfs/dbraw/zinc/33/43/56/146334356.db2.gz WQABEFSJJPMPGR-HKUYNNGSSA-N 2 1 307.526 2.963 20 0 DFADMP Cc1ccc(C(=O)C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000262146578 146338643 /nfs/dbraw/zinc/33/86/43/146338643.db2.gz ZOVLYJLPHVKXFK-LJQANCHMSA-N 2 1 300.446 2.889 20 0 DFADMP FC(F)(F)c1cc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)[nH]n1 ZINC000262224167 146343780 /nfs/dbraw/zinc/34/37/80/146343780.db2.gz NAKPPRFUHLGERX-LBPRGKRZSA-N 2 1 316.371 2.608 20 0 DFADMP C[NH2+]CCC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262401077 146356837 /nfs/dbraw/zinc/35/68/37/146356837.db2.gz PLRWMRVMSAHMMG-UHFFFAOYSA-N 2 1 303.450 2.999 20 0 DFADMP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000262585228 146375303 /nfs/dbraw/zinc/37/53/03/146375303.db2.gz ZPOJEJHRFMIONS-JKSUJKDBSA-N 2 1 303.450 2.725 20 0 DFADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000262585228 146375304 /nfs/dbraw/zinc/37/53/04/146375304.db2.gz ZPOJEJHRFMIONS-JKSUJKDBSA-N 2 1 303.450 2.725 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000262710870 146384095 /nfs/dbraw/zinc/38/40/95/146384095.db2.gz QLDJYTXYFFMQJZ-BQFCYCMXSA-N 2 1 309.498 2.617 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000354399414 147021461 /nfs/dbraw/zinc/02/14/61/147021461.db2.gz ZHZUHKXPVSIDNE-UHFFFAOYSA-N 2 1 323.868 2.861 20 0 DFADMP C[C@@H]1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C[C@H]1n1ccnc1 ZINC000354791682 147152230 /nfs/dbraw/zinc/15/22/30/147152230.db2.gz IBJRBYORXGUOCO-IXDOHACOSA-N 2 1 318.465 2.557 20 0 DFADMP CCN(CCC[NH+]1CC[C@H](C[N@H+](C)CC)C1)CC(F)(F)F ZINC000354858159 147180665 /nfs/dbraw/zinc/18/06/65/147180665.db2.gz NWQZCAAJNQFKGQ-CQSZACIVSA-N 2 1 309.420 2.534 20 0 DFADMP CCN(CCC[NH+]1CC[C@H](C[N@@H+](C)CC)C1)CC(F)(F)F ZINC000354858159 147180667 /nfs/dbraw/zinc/18/06/67/147180667.db2.gz NWQZCAAJNQFKGQ-CQSZACIVSA-N 2 1 309.420 2.534 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc([S@](C)=O)cc2)C[C@H]1n1ccnc1 ZINC000355252605 147239270 /nfs/dbraw/zinc/23/92/70/147239270.db2.gz JJAKZUCBBVHDDB-SRVWHDFXSA-N 2 1 317.458 2.704 20 0 DFADMP C[C@@H]1CCN(Cc2ccc([S@](C)=O)cc2)C[C@H]1n1ccnc1 ZINC000355252605 147239275 /nfs/dbraw/zinc/23/92/75/147239275.db2.gz JJAKZUCBBVHDDB-SRVWHDFXSA-N 2 1 317.458 2.704 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000350077873 286000384 /nfs/dbraw/zinc/00/03/84/286000384.db2.gz ORBGKQZBJXDXKL-BHIYHBOVSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000350077873 286000388 /nfs/dbraw/zinc/00/03/88/286000388.db2.gz ORBGKQZBJXDXKL-BHIYHBOVSA-N 2 1 302.462 2.792 20 0 DFADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000374777936 286004631 /nfs/dbraw/zinc/00/46/31/286004631.db2.gz NUXMPRMFQKGVRY-FCGDIQPGSA-N 2 1 300.446 2.790 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000374777936 286004632 /nfs/dbraw/zinc/00/46/32/286004632.db2.gz NUXMPRMFQKGVRY-FCGDIQPGSA-N 2 1 300.446 2.790 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000374777936 286004633 /nfs/dbraw/zinc/00/46/33/286004633.db2.gz NUXMPRMFQKGVRY-FCGDIQPGSA-N 2 1 300.446 2.790 20 0 DFADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000357807249 148130705 /nfs/dbraw/zinc/13/07/05/148130705.db2.gz BVGYQPUGFDANGG-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP COCc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1 ZINC000425900792 296603742 /nfs/dbraw/zinc/60/37/42/296603742.db2.gz OSMLXQHJKVGTAO-UHFFFAOYSA-N 2 1 315.417 2.578 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(O)cc2)[C@@H](C)C1 ZINC000358103471 148244983 /nfs/dbraw/zinc/24/49/83/148244983.db2.gz WTYYYQVGBMHDMV-LPHOPBHVSA-N 2 1 320.477 2.661 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3c[nH]c4ncncc34)C2)c1 ZINC000638006191 543496853 /nfs/dbraw/zinc/49/68/53/543496853.db2.gz FNEOZHIYLLIPLZ-AWEZNQCLSA-N 2 1 322.416 2.547 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3c[nH]c4ncncc34)C2)c1 ZINC000638006191 543496855 /nfs/dbraw/zinc/49/68/55/543496855.db2.gz FNEOZHIYLLIPLZ-AWEZNQCLSA-N 2 1 322.416 2.547 20 0 DFADMP CC1=CC[N@H+](CCNC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000358129847 148254273 /nfs/dbraw/zinc/25/42/73/148254273.db2.gz DYQLBCZIYBJTFJ-UHFFFAOYSA-N 2 1 313.489 2.893 20 0 DFADMP CC1=CC[N@@H+](CCNC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000358129847 148254275 /nfs/dbraw/zinc/25/42/75/148254275.db2.gz DYQLBCZIYBJTFJ-UHFFFAOYSA-N 2 1 313.489 2.893 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133767 148256595 /nfs/dbraw/zinc/25/65/95/148256595.db2.gz QRMRJJNTLJPRNV-HNAYVOBHSA-N 2 1 323.440 2.711 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccncc2Cl)C1 ZINC000350262373 286022638 /nfs/dbraw/zinc/02/26/38/286022638.db2.gz YWYVJOJAIWNAOA-HNNXBMFYSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccncc2Cl)C1 ZINC000350262373 286022640 /nfs/dbraw/zinc/02/26/40/286022640.db2.gz YWYVJOJAIWNAOA-HNNXBMFYSA-N 2 1 311.857 2.668 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000358164002 148266240 /nfs/dbraw/zinc/26/62/40/148266240.db2.gz JDQUEDBIAWCYRD-LJQANCHMSA-N 2 1 312.413 2.635 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2cccc(Oc3ccccc3)c2)C1 ZINC000358164002 148266243 /nfs/dbraw/zinc/26/62/43/148266243.db2.gz JDQUEDBIAWCYRD-LJQANCHMSA-N 2 1 312.413 2.635 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000358169574 148267800 /nfs/dbraw/zinc/26/78/00/148267800.db2.gz QEKPOEYKJPHFIY-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3ccccc3F)s2)C1 ZINC000358169574 148267801 /nfs/dbraw/zinc/26/78/01/148267801.db2.gz QEKPOEYKJPHFIY-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358250078 148304254 /nfs/dbraw/zinc/30/42/54/148304254.db2.gz KWVVXLSTDPTXBH-QFBILLFUSA-N 2 1 320.477 2.829 20 0 DFADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358250078 148304256 /nfs/dbraw/zinc/30/42/56/148304256.db2.gz KWVVXLSTDPTXBH-QFBILLFUSA-N 2 1 320.477 2.829 20 0 DFADMP Cc1[nH+]ccc(N2CCC([N@@H+]3CCO[C@@H](C)C3)CC2)c1Cl ZINC000350344510 286030548 /nfs/dbraw/zinc/03/05/48/286030548.db2.gz ZOWKBSIKAXFICB-LBPRGKRZSA-N 2 1 309.841 2.733 20 0 DFADMP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000358253920 148306276 /nfs/dbraw/zinc/30/62/76/148306276.db2.gz PHARZMGGNYVNOD-ZRTADKKWSA-N 2 1 306.494 2.638 20 0 DFADMP C[C@@H](CC12CC3CC(CC(C3)C1)C2)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000358253920 148306281 /nfs/dbraw/zinc/30/62/81/148306281.db2.gz PHARZMGGNYVNOD-ZRTADKKWSA-N 2 1 306.494 2.638 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000358251509 286064337 /nfs/dbraw/zinc/06/43/37/286064337.db2.gz MONYVZFUBRDOCK-ZACQAIPSSA-N 2 1 312.498 2.671 20 0 DFADMP CCN1CC[C@H]([NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000660006767 543524051 /nfs/dbraw/zinc/52/40/51/543524051.db2.gz UHQIBKXAWHBGRW-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CSCC[C@@H]([NH3+])c1nc(-c2ccc(C[NH+](C)C)cc2)no1 ZINC000350724284 286077667 /nfs/dbraw/zinc/07/76/67/286077667.db2.gz JSSPLGMCLVXPHX-CYBMUJFWSA-N 2 1 306.435 2.551 20 0 DFADMP Cc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c(C)c1 ZINC000660448492 543527268 /nfs/dbraw/zinc/52/72/68/543527268.db2.gz ORENSDFSKQOPTH-ZWKOTPCHSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1ccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)c(C)c1 ZINC000660448492 543527270 /nfs/dbraw/zinc/52/72/70/543527270.db2.gz ORENSDFSKQOPTH-ZWKOTPCHSA-N 2 1 304.478 2.794 20 0 DFADMP CC[N@H+](Cc1ccccc1N1CC[NH+](CC)CC1)C[C@@H](C)OC ZINC000361018335 149008625 /nfs/dbraw/zinc/00/86/25/149008625.db2.gz RWHUFMLOFCPWBP-QGZVFWFLSA-N 2 1 319.493 2.685 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2ccsc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000361096646 149027369 /nfs/dbraw/zinc/02/73/69/149027369.db2.gz MHNKWSDSZBXPBZ-FUHWJXTLSA-N 2 1 321.534 2.639 20 0 DFADMP Cc1ccc([C@@H](CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)[NH+](C)C)cc1 ZINC000355410021 292199090 /nfs/dbraw/zinc/19/90/90/292199090.db2.gz NSGIPTZSGGFIIN-SOLBZPMBSA-N 2 1 317.477 2.587 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N(C)Cc1cncnc1 ZINC000361153395 149040774 /nfs/dbraw/zinc/04/07/74/149040774.db2.gz IUGVPBISVALSHR-VQIMIIECSA-N 2 1 310.445 2.819 20 0 DFADMP CCC[C@@H](C)[C@@H](CC)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361341581 149090023 /nfs/dbraw/zinc/09/00/23/149090023.db2.gz PLQNBCUYBZHVJZ-NVXWUHKLSA-N 2 1 311.514 2.734 20 0 DFADMP CCOc1ccccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000361345149 149091645 /nfs/dbraw/zinc/09/16/45/149091645.db2.gz HPZIWGBLOYHOPK-IRXDYDNUSA-N 2 1 320.477 2.973 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)cc1 ZINC000361345543 149092152 /nfs/dbraw/zinc/09/21/52/149092152.db2.gz JCZFOHPWOHXTEX-MRXNPFEDSA-N 2 1 317.477 2.588 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CCOCC3CC3)CC2)cc1 ZINC000361348020 149093576 /nfs/dbraw/zinc/09/35/76/149093576.db2.gz GKUHBXYQYAAQJR-UHFFFAOYSA-N 2 1 320.452 2.849 20 0 DFADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000361353934 149095298 /nfs/dbraw/zinc/09/52/98/149095298.db2.gz VLXYBOLEWDZUJV-LSBZLQRGSA-N 2 1 320.452 2.741 20 0 DFADMP CC(C)(CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000361384488 149101015 /nfs/dbraw/zinc/10/10/15/149101015.db2.gz KRZZGXRIQTVBNQ-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCOC1 ZINC000361398394 149104636 /nfs/dbraw/zinc/10/46/36/149104636.db2.gz SZSGDEUAGUIOEZ-NEWSRXKRSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CCN(CCc3ccccc3Cl)CC2)C1 ZINC000361525675 149139516 /nfs/dbraw/zinc/13/95/16/149139516.db2.gz RYGOUTHZMZSMAT-QGZVFWFLSA-N 2 1 321.896 2.594 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(F)CC[NH2+]C2)cc1 ZINC000361719442 149200847 /nfs/dbraw/zinc/20/08/47/149200847.db2.gz SYNLSYIDGTVYJV-KBXCAEBGSA-N 2 1 319.424 2.701 20 0 DFADMP CC(C)[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361767770 149214541 /nfs/dbraw/zinc/21/45/41/149214541.db2.gz QBKQJZGQPYSKKX-QXAKKESOSA-N 2 1 304.478 2.894 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361892541 149248877 /nfs/dbraw/zinc/24/88/77/149248877.db2.gz WJFFSOHCBFYQAL-SZMVWBNQSA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361892541 149248875 /nfs/dbraw/zinc/24/88/75/149248875.db2.gz WJFFSOHCBFYQAL-SZMVWBNQSA-N 2 1 322.518 2.601 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]2SC)[C@H](C)C1 ZINC000361937498 149260511 /nfs/dbraw/zinc/26/05/11/149260511.db2.gz IUBDHZNIFPFROL-QXSJWSMHSA-N 2 1 300.512 2.607 20 0 DFADMP CN(Cc1cnc[nH]1)C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000667197035 543564286 /nfs/dbraw/zinc/56/42/86/543564286.db2.gz KBAWHBLYPLCABL-MRXNPFEDSA-N 2 1 313.405 2.623 20 0 DFADMP CCCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000350918105 286099727 /nfs/dbraw/zinc/09/97/27/286099727.db2.gz LKIMHPCPKIFJMS-UHFFFAOYSA-N 2 1 319.493 2.971 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000362905741 149393727 /nfs/dbraw/zinc/39/37/27/149393727.db2.gz IISUARXEOGYDGE-OAHLLOKOSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000362905741 149393728 /nfs/dbraw/zinc/39/37/28/149393728.db2.gz IISUARXEOGYDGE-OAHLLOKOSA-N 2 1 318.465 2.530 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362925273 149398811 /nfs/dbraw/zinc/39/88/11/149398811.db2.gz HMQPRLXOUWJQNJ-JFIYKMOQSA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362925273 149398815 /nfs/dbraw/zinc/39/88/15/149398815.db2.gz HMQPRLXOUWJQNJ-JFIYKMOQSA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000362925273 149398819 /nfs/dbraw/zinc/39/88/19/149398819.db2.gz HMQPRLXOUWJQNJ-JFIYKMOQSA-N 2 1 324.472 2.532 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367058106 149537067 /nfs/dbraw/zinc/53/70/67/149537067.db2.gz PWWXEKKBOGHDLC-LPHOPBHVSA-N 2 1 317.477 2.808 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccc(C(F)(F)F)cc3)C[C@H]12 ZINC000351482074 286131642 /nfs/dbraw/zinc/13/16/42/286131642.db2.gz YOLREOCMDOQHMQ-TUKIKUTGSA-N 2 1 314.351 2.753 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@H](c2ccccc2)CC1)C1CC1 ZINC000351487693 286133115 /nfs/dbraw/zinc/13/31/15/286133115.db2.gz CIKOICBFUWFFEE-IEBWSBKVSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@H](c2ccccc2)CC1)C1CC1 ZINC000351487693 286133118 /nfs/dbraw/zinc/13/31/18/286133118.db2.gz CIKOICBFUWFFEE-IEBWSBKVSA-N 2 1 302.462 2.711 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]12 ZINC000351488188 286133275 /nfs/dbraw/zinc/13/32/75/286133275.db2.gz DZSMKCVXPUSOQI-CGTJXYLNSA-N 2 1 323.440 2.838 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351490665 286134023 /nfs/dbraw/zinc/13/40/23/286134023.db2.gz IRVAPTMMMHOHFZ-JURCDPSOSA-N 2 1 321.852 2.645 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351490665 286134025 /nfs/dbraw/zinc/13/40/25/286134025.db2.gz IRVAPTMMMHOHFZ-JURCDPSOSA-N 2 1 321.852 2.645 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+](Cc1ccccc1)CC(C)(C)C)C1CC1 ZINC000351497148 286135783 /nfs/dbraw/zinc/13/57/83/286135783.db2.gz SYBPPTCCKOQGSB-GOSISDBHSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+](Cc1ccccc1)CC(C)(C)C)C1CC1 ZINC000351497148 286135784 /nfs/dbraw/zinc/13/57/84/286135784.db2.gz SYBPPTCCKOQGSB-GOSISDBHSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](Cc1ccccc1)CC(C)(C)C)C1CC1 ZINC000351497148 286135785 /nfs/dbraw/zinc/13/57/85/286135785.db2.gz SYBPPTCCKOQGSB-GOSISDBHSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](Cc1ccccc1)CC(C)(C)C)C1CC1 ZINC000351497148 286135786 /nfs/dbraw/zinc/13/57/86/286135786.db2.gz SYBPPTCCKOQGSB-GOSISDBHSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2ccccc2)CC1)C1CC1 ZINC000351487693 286133109 /nfs/dbraw/zinc/13/31/09/286133109.db2.gz CIKOICBFUWFFEE-IEBWSBKVSA-N 2 1 302.462 2.711 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@H](c2ccccc2)CC1)C1CC1 ZINC000351487693 286133112 /nfs/dbraw/zinc/13/31/12/286133112.db2.gz CIKOICBFUWFFEE-IEBWSBKVSA-N 2 1 302.462 2.711 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519219 286141481 /nfs/dbraw/zinc/14/14/81/286141481.db2.gz ODMJTPWRALMFCS-LZQZEXGQSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519219 286141482 /nfs/dbraw/zinc/14/14/82/286141482.db2.gz ODMJTPWRALMFCS-LZQZEXGQSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519219 286141483 /nfs/dbraw/zinc/14/14/83/286141483.db2.gz ODMJTPWRALMFCS-LZQZEXGQSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000351519219 286141486 /nfs/dbraw/zinc/14/14/86/286141486.db2.gz ODMJTPWRALMFCS-LZQZEXGQSA-N 2 1 302.462 2.567 20 0 DFADMP CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351544067 286148477 /nfs/dbraw/zinc/14/84/77/286148477.db2.gz UFIYLWBYSFVKDY-MJGOQNOKSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351544067 286148478 /nfs/dbraw/zinc/14/84/78/286148478.db2.gz UFIYLWBYSFVKDY-MJGOQNOKSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@H](Cc1ccccc1)[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351544067 286148480 /nfs/dbraw/zinc/14/84/80/286148480.db2.gz UFIYLWBYSFVKDY-MJGOQNOKSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@H](Cc1ccccc1)[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351544067 286148481 /nfs/dbraw/zinc/14/84/81/286148481.db2.gz UFIYLWBYSFVKDY-MJGOQNOKSA-N 2 1 304.478 2.785 20 0 DFADMP Cc1ccccc1OCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371295682 150017954 /nfs/dbraw/zinc/01/79/54/150017954.db2.gz UHWSJEPUDPKHRE-YQVWRLOYSA-N 2 1 318.461 2.557 20 0 DFADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2cccc(F)c2F)CC1 ZINC000371371464 150032344 /nfs/dbraw/zinc/03/23/44/150032344.db2.gz RYEQNEINMQDITR-UHFFFAOYSA-N 2 1 324.415 2.899 20 0 DFADMP CC1(C[NH+]2CCOCC2)CC[NH+](Cc2ccc(Cl)nc2)CC1 ZINC000371373787 150033175 /nfs/dbraw/zinc/03/31/75/150033175.db2.gz OEUUPRKMAMOIAP-UHFFFAOYSA-N 2 1 323.868 2.669 20 0 DFADMP Cc1cccc2ncc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)n21 ZINC000371403591 150040661 /nfs/dbraw/zinc/04/06/61/150040661.db2.gz VCHSEMCEHFEZCN-BPQIPLTHSA-N 2 1 310.445 2.559 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccccc1-c1cnn(C)c1 ZINC000371429743 150045615 /nfs/dbraw/zinc/04/56/15/150045615.db2.gz GUVMATOHMMMWRI-VCBZYWHSSA-N 2 1 312.461 2.905 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@H](C)C1 ZINC000371433547 150046445 /nfs/dbraw/zinc/04/64/45/150046445.db2.gz XIBVSJJPJMRHGC-BEFAXECRSA-N 2 1 312.461 2.907 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000371449887 150049546 /nfs/dbraw/zinc/04/95/46/150049546.db2.gz IWGOJKXJONLRDQ-CAAYCTOESA-N 2 1 306.454 2.723 20 0 DFADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1F ZINC000371468840 150051992 /nfs/dbraw/zinc/05/19/92/150051992.db2.gz BSCCYZJYZMLPMP-KBAYOESNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)ccc1F ZINC000371468840 150051994 /nfs/dbraw/zinc/05/19/94/150051994.db2.gz BSCCYZJYZMLPMP-KBAYOESNSA-N 2 1 306.425 2.818 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371479148 150053190 /nfs/dbraw/zinc/05/31/90/150053190.db2.gz DLKYDGVZAYDPMO-DZGCQCFKSA-N 2 1 313.401 2.538 20 0 DFADMP C[N@H+]1CCCC12CCN(Cc1ccc3c(c1)OCCO3)CC2 ZINC000371688214 150081661 /nfs/dbraw/zinc/08/16/61/150081661.db2.gz DZHQJBSTEPFKQY-UHFFFAOYSA-N 2 1 302.418 2.518 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc2c(c1)CCCC2 ZINC000351573088 286157595 /nfs/dbraw/zinc/15/75/95/286157595.db2.gz HAAVWTPWBBPNFK-LIRRHRJNSA-N 2 1 302.462 2.671 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc2c(c1)CCCC2 ZINC000351573088 286157597 /nfs/dbraw/zinc/15/75/97/286157597.db2.gz HAAVWTPWBBPNFK-LIRRHRJNSA-N 2 1 302.462 2.671 20 0 DFADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000371723984 150086348 /nfs/dbraw/zinc/08/63/48/150086348.db2.gz OMNIVFAGCGRWOS-IEBWSBKVSA-N 2 1 312.461 2.820 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccoc1 ZINC000371985467 150121181 /nfs/dbraw/zinc/12/11/81/150121181.db2.gz SRFXCFPMHKJNJI-VQIMIIECSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccoc1 ZINC000371985467 150121185 /nfs/dbraw/zinc/12/11/85/150121185.db2.gz SRFXCFPMHKJNJI-VQIMIIECSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000372092870 150135519 /nfs/dbraw/zinc/13/55/19/150135519.db2.gz YQSCIHFWYCJFEI-LPHOPBHVSA-N 2 1 302.462 2.539 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000372092870 150135521 /nfs/dbraw/zinc/13/55/21/150135521.db2.gz YQSCIHFWYCJFEI-LPHOPBHVSA-N 2 1 302.462 2.539 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000372303470 150160051 /nfs/dbraw/zinc/16/00/51/150160051.db2.gz XVEATERSRSGBRB-CGTJXYLNSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000372303470 150160055 /nfs/dbraw/zinc/16/00/55/150160055.db2.gz XVEATERSRSGBRB-CGTJXYLNSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000372303470 150160058 /nfs/dbraw/zinc/16/00/58/150160058.db2.gz XVEATERSRSGBRB-CGTJXYLNSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000372303470 150160059 /nfs/dbraw/zinc/16/00/59/150160059.db2.gz XVEATERSRSGBRB-CGTJXYLNSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000372303470 150160063 /nfs/dbraw/zinc/16/00/63/150160063.db2.gz XVEATERSRSGBRB-CGTJXYLNSA-N 2 1 322.518 2.553 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000351599265 286165087 /nfs/dbraw/zinc/16/50/87/286165087.db2.gz WISHUMDULWFQOW-IRXDYDNUSA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000351599265 286165088 /nfs/dbraw/zinc/16/50/88/286165088.db2.gz WISHUMDULWFQOW-IRXDYDNUSA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000351599265 286165089 /nfs/dbraw/zinc/16/50/89/286165089.db2.gz WISHUMDULWFQOW-IRXDYDNUSA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000372882156 150196041 /nfs/dbraw/zinc/19/60/41/150196041.db2.gz ZPDUHBYHTNFPDJ-UHFFFAOYSA-N 2 1 318.396 2.649 20 0 DFADMP C[N@@H+](CCCN1CCCCC1)C1CCN(c2ccccn2)CC1 ZINC000372905572 150199591 /nfs/dbraw/zinc/19/95/91/150199591.db2.gz XHQAKEQKAQYFSK-UHFFFAOYSA-N 3 1 316.493 2.858 20 0 DFADMP CC[C@@H](C[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000351609653 286168374 /nfs/dbraw/zinc/16/83/74/286168374.db2.gz LVPVLNWJWBYXMR-LPHOPBHVSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H](C[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000351609653 286168375 /nfs/dbraw/zinc/16/83/75/286168375.db2.gz LVPVLNWJWBYXMR-LPHOPBHVSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H](C[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000351609653 286168376 /nfs/dbraw/zinc/16/83/76/286168376.db2.gz LVPVLNWJWBYXMR-LPHOPBHVSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H](C[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000351609653 286168377 /nfs/dbraw/zinc/16/83/77/286168377.db2.gz LVPVLNWJWBYXMR-LPHOPBHVSA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(C)cc3Cl)C2)CC1 ZINC000373149577 150238257 /nfs/dbraw/zinc/23/82/57/150238257.db2.gz GXKNFSHMBQSRFI-KRWDZBQOSA-N 2 1 321.896 2.860 20 0 DFADMP C[C@@H]1CN(C/C=C/c2ccccc2)CC[N@H+]1C1CCN(C)CC1 ZINC000373175868 150241618 /nfs/dbraw/zinc/24/16/18/150241618.db2.gz IWMWECCTRKOCJI-AHKGRUIUSA-N 2 1 313.489 2.800 20 0 DFADMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CCN1C1CC[NH+](C)CC1 ZINC000373175868 150241621 /nfs/dbraw/zinc/24/16/21/150241621.db2.gz IWMWECCTRKOCJI-AHKGRUIUSA-N 2 1 313.489 2.800 20 0 DFADMP c1cnn(CC[N@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000374052727 150299527 /nfs/dbraw/zinc/29/95/27/150299527.db2.gz FIWJPJZEBQNVJA-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP c1cnn(CC[NH+]2CC[C@@]3(C2)CCC[N@H+](Cc2ccccc2)C3)c1 ZINC000374052727 150299529 /nfs/dbraw/zinc/29/95/29/150299529.db2.gz FIWJPJZEBQNVJA-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP c1cnn(CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)c1 ZINC000374052727 150299531 /nfs/dbraw/zinc/29/95/31/150299531.db2.gz FIWJPJZEBQNVJA-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)c3ccccc3F)C2)CC1 ZINC000374074464 150303412 /nfs/dbraw/zinc/30/34/12/150303412.db2.gz KTIJHJGNUHJCIG-KRWDZBQOSA-N 2 1 306.425 2.667 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162361 150314840 /nfs/dbraw/zinc/31/48/40/150314840.db2.gz NSDMCVQPNDTOTO-INIZCTEOSA-N 2 1 315.461 2.821 20 0 DFADMP C[N@@H+](CCNC(=O)CC[C@H]1CCCC[NH+]1C)C1CCCCC1 ZINC000351636593 286177456 /nfs/dbraw/zinc/17/74/56/286177456.db2.gz PMRLEIVSHNWONP-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC000351636593 286177458 /nfs/dbraw/zinc/17/74/58/286177458.db2.gz PMRLEIVSHNWONP-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP C[NH+](CCNC(=O)CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000351636593 286177460 /nfs/dbraw/zinc/17/74/60/286177460.db2.gz PMRLEIVSHNWONP-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1cccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374426282 150365424 /nfs/dbraw/zinc/36/54/24/150365424.db2.gz DBFIJHUSSQKPKA-YTQUADARSA-N 2 1 318.461 2.557 20 0 DFADMP Cc1sccc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000351699659 286197245 /nfs/dbraw/zinc/19/72/45/286197245.db2.gz CJJARDYLIWRLMI-YOEHRIQHSA-N 2 1 307.507 2.514 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000352051815 286280333 /nfs/dbraw/zinc/28/03/33/286280333.db2.gz FNZRZHUYSGICKJ-RYQLBKOJSA-N 2 1 321.509 2.628 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000352155180 286307051 /nfs/dbraw/zinc/30/70/51/286307051.db2.gz CTOOJBAQAHXNJE-DLBZAZTESA-N 2 1 311.514 2.924 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000352142248 286302853 /nfs/dbraw/zinc/30/28/53/286302853.db2.gz IMQMBXWKRSPDCV-SJORKVTESA-N 2 1 310.445 2.804 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000352142246 286302992 /nfs/dbraw/zinc/30/29/92/286302992.db2.gz IMQMBXWKRSPDCV-IRXDYDNUSA-N 2 1 310.445 2.804 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000352173313 286311956 /nfs/dbraw/zinc/31/19/56/286311956.db2.gz ZVXCNPPWVUXLIG-IAGOWNOFSA-N 2 1 311.514 2.781 20 0 DFADMP COc1ccc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352246216 286328055 /nfs/dbraw/zinc/32/80/55/286328055.db2.gz NQUNRCPRQZJWGQ-UHFFFAOYSA-N 2 1 305.447 2.546 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCCNCc1ncc(C[NH+](C)C)s1 ZINC000352232818 286324689 /nfs/dbraw/zinc/32/46/89/286324689.db2.gz WJQHZJVQHVEDBY-AWEZNQCLSA-N 2 1 310.511 2.559 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNCc1ncc(C[NH+](C)C)s1 ZINC000352232818 286324690 /nfs/dbraw/zinc/32/46/90/286324690.db2.gz WJQHZJVQHVEDBY-AWEZNQCLSA-N 2 1 310.511 2.559 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352380638 286358683 /nfs/dbraw/zinc/35/86/83/286358683.db2.gz KHLICOXZVPUQAG-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000352380637 286358772 /nfs/dbraw/zinc/35/87/72/286358772.db2.gz KHLICOXZVPUQAG-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000352451932 286377739 /nfs/dbraw/zinc/37/77/39/286377739.db2.gz ZLMUFTLRIIBSDK-UHFFFAOYSA-N 2 1 306.454 2.602 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352495460 286388422 /nfs/dbraw/zinc/38/84/22/286388422.db2.gz LTVWAUBXXYVWPZ-UHFFFAOYSA-N 2 1 303.450 2.986 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1nc(-c2ccoc2)no1)CC1CCCC1 ZINC000352503142 286390729 /nfs/dbraw/zinc/39/07/29/286390729.db2.gz CCOMOIBCDJODKW-UHFFFAOYSA-N 2 1 304.394 2.671 20 0 DFADMP [NH3+]CCC[N@H+](Cc1nc(-c2ccoc2)no1)CC1CCCC1 ZINC000352503142 286390730 /nfs/dbraw/zinc/39/07/30/286390730.db2.gz CCOMOIBCDJODKW-UHFFFAOYSA-N 2 1 304.394 2.671 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C12CCCC2 ZINC000181733571 286385461 /nfs/dbraw/zinc/38/54/61/286385461.db2.gz PSLZIINEUDTFMR-FGTMMUONSA-N 2 1 324.509 2.551 20 0 DFADMP C[C@@H](CC[NH2+]Cc1cnn(CC(F)F)c1)[NH+]1CCCCC1 ZINC000352877480 286491525 /nfs/dbraw/zinc/49/15/25/286491525.db2.gz QOEPAGPVJMVLSN-ZDUSSCGKSA-N 2 1 300.397 2.502 20 0 DFADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(C)OCCCO2)CC1 ZINC000366772687 299784588 /nfs/dbraw/zinc/78/45/88/299784588.db2.gz LEFJIADSTAQIPL-DOTOQJQBSA-N 2 1 310.482 2.772 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H]2CCCOc3ccccc32)CC1 ZINC000159163635 292350745 /nfs/dbraw/zinc/35/07/45/292350745.db2.gz ZUXMPEPGLSKQRB-SFHVURJKSA-N 2 1 318.461 2.991 20 0 DFADMP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000246423100 158091083 /nfs/dbraw/zinc/09/10/83/158091083.db2.gz NILDMHVDBZYGHQ-MDZRGWNJSA-N 2 1 316.493 2.679 20 0 DFADMP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000246423100 158091085 /nfs/dbraw/zinc/09/10/85/158091085.db2.gz NILDMHVDBZYGHQ-MDZRGWNJSA-N 2 1 316.493 2.679 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3c(cccc3F)n2C)[C@@H](C)C1 ZINC000246577994 158095615 /nfs/dbraw/zinc/09/56/15/158095615.db2.gz YKMWETCHGFRWJE-DZGCQCFKSA-N 2 1 318.440 2.575 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000247168626 158121242 /nfs/dbraw/zinc/12/12/42/158121242.db2.gz YHJZYVFFDZJPND-AZOIQLNYSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000247168626 158121244 /nfs/dbraw/zinc/12/12/44/158121244.db2.gz YHJZYVFFDZJPND-AZOIQLNYSA-N 2 1 316.445 2.981 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000247329403 158130466 /nfs/dbraw/zinc/13/04/66/158130466.db2.gz WTPUJORLTWSHOP-WMZOPIPTSA-N 2 1 302.418 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247329403 158130469 /nfs/dbraw/zinc/13/04/69/158130469.db2.gz WTPUJORLTWSHOP-WMZOPIPTSA-N 2 1 302.418 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000247329403 158130472 /nfs/dbraw/zinc/13/04/72/158130472.db2.gz WTPUJORLTWSHOP-WMZOPIPTSA-N 2 1 302.418 2.528 20 0 DFADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247931355 158152366 /nfs/dbraw/zinc/15/23/66/158152366.db2.gz CBWAOHHNBRUWBZ-IRXDYDNUSA-N 2 1 320.477 2.891 20 0 DFADMP CC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248048235 158158758 /nfs/dbraw/zinc/15/87/58/158158758.db2.gz VTZVEAVGPPRMNG-SJLPKXTDSA-N 2 1 319.493 2.762 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248048235 158158761 /nfs/dbraw/zinc/15/87/61/158158761.db2.gz VTZVEAVGPPRMNG-SJLPKXTDSA-N 2 1 319.493 2.762 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CCCC1 ZINC000248463186 158178908 /nfs/dbraw/zinc/17/89/08/158178908.db2.gz YSBSZJQPUZGYJH-HNAYVOBHSA-N 2 1 302.462 2.922 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000248748851 158200051 /nfs/dbraw/zinc/20/00/51/158200051.db2.gz FWPALVAGSXJFLN-IEBWSBKVSA-N 2 1 313.445 2.816 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H]1Cc2ccccc2[C@H]1O ZINC000248748851 158200054 /nfs/dbraw/zinc/20/00/54/158200054.db2.gz FWPALVAGSXJFLN-IEBWSBKVSA-N 2 1 313.445 2.816 20 0 DFADMP OCCCCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248751047 158200621 /nfs/dbraw/zinc/20/06/21/158200621.db2.gz OMBFXQFRLQQCBP-CEXWTWQISA-N 2 1 302.462 2.649 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000248817356 158202193 /nfs/dbraw/zinc/20/21/93/158202193.db2.gz DVKMHSSRGVBOOR-KRWDZBQOSA-N 2 1 304.482 2.700 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cn1 ZINC000248817356 158202195 /nfs/dbraw/zinc/20/21/95/158202195.db2.gz DVKMHSSRGVBOOR-KRWDZBQOSA-N 2 1 304.482 2.700 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)cn1 ZINC000248817356 158202198 /nfs/dbraw/zinc/20/21/98/158202198.db2.gz DVKMHSSRGVBOOR-KRWDZBQOSA-N 2 1 304.482 2.700 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000248817356 158202200 /nfs/dbraw/zinc/20/22/00/158202200.db2.gz DVKMHSSRGVBOOR-KRWDZBQOSA-N 2 1 304.482 2.700 20 0 DFADMP CCN1CC[NH+]([C@@H](C)CNc2cc(C)[nH+]c3ccccc23)CC1 ZINC000301563928 158219975 /nfs/dbraw/zinc/21/99/75/158219975.db2.gz YPRLMOIXCJGLCC-INIZCTEOSA-N 2 1 312.461 2.981 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354916408 158243736 /nfs/dbraw/zinc/24/37/36/158243736.db2.gz SNCUJXRHNMMIFC-KRWDZBQOSA-N 2 1 321.509 2.655 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354916408 158243737 /nfs/dbraw/zinc/24/37/37/158243737.db2.gz SNCUJXRHNMMIFC-KRWDZBQOSA-N 2 1 321.509 2.655 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354916408 158243738 /nfs/dbraw/zinc/24/37/38/158243738.db2.gz SNCUJXRHNMMIFC-KRWDZBQOSA-N 2 1 321.509 2.655 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000355101962 158274054 /nfs/dbraw/zinc/27/40/54/158274054.db2.gz IJTSPRIWGRHPLT-ZWKOTPCHSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000355101962 158274057 /nfs/dbraw/zinc/27/40/57/158274057.db2.gz IJTSPRIWGRHPLT-ZWKOTPCHSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000355101962 158274061 /nfs/dbraw/zinc/27/40/61/158274061.db2.gz IJTSPRIWGRHPLT-ZWKOTPCHSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000355101935 158274344 /nfs/dbraw/zinc/27/43/44/158274344.db2.gz IJTSPRIWGRHPLT-MSOLQXFVSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000355101935 158274348 /nfs/dbraw/zinc/27/43/48/158274348.db2.gz IJTSPRIWGRHPLT-MSOLQXFVSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000355101935 158274350 /nfs/dbraw/zinc/27/43/50/158274350.db2.gz IJTSPRIWGRHPLT-MSOLQXFVSA-N 2 1 323.525 2.878 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355209742 158298398 /nfs/dbraw/zinc/29/83/98/158298398.db2.gz KBASVWWREBKZFR-ZHALLVOQSA-N 2 1 318.461 2.687 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000355209742 158298400 /nfs/dbraw/zinc/29/84/00/158298400.db2.gz KBASVWWREBKZFR-ZHALLVOQSA-N 2 1 318.461 2.687 20 0 DFADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000356641584 158304822 /nfs/dbraw/zinc/30/48/22/158304822.db2.gz ITAXFRNFZWZFER-QZTJIDSGSA-N 2 1 323.525 2.831 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H]2CCCOC2)[C@H](C)C1 ZINC000356846023 158314208 /nfs/dbraw/zinc/31/42/08/158314208.db2.gz IZQACEMONWMCQD-BDXSIMOUSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000356893185 158318689 /nfs/dbraw/zinc/31/86/89/158318689.db2.gz ILDWQZXYZKYJIG-APWZRJJASA-N 2 1 302.462 2.840 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000356893185 158318690 /nfs/dbraw/zinc/31/86/90/158318690.db2.gz ILDWQZXYZKYJIG-APWZRJJASA-N 2 1 302.462 2.840 20 0 DFADMP CCOC(=O)[C@@H](C)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357021078 158349521 /nfs/dbraw/zinc/34/95/21/158349521.db2.gz YFTXLPAJNSFOIQ-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357021078 158349523 /nfs/dbraw/zinc/34/95/23/158349523.db2.gz YFTXLPAJNSFOIQ-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357021078 158349524 /nfs/dbraw/zinc/34/95/24/158349524.db2.gz YFTXLPAJNSFOIQ-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(C)COC1 ZINC000357035969 158353578 /nfs/dbraw/zinc/35/35/78/158353578.db2.gz JKZGHKDJPDJGQW-UHFFFAOYSA-N 2 1 303.450 2.656 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)nc1 ZINC000357044875 158355364 /nfs/dbraw/zinc/35/53/64/158355364.db2.gz HIPLEUUEJIAKNM-ZWKOTPCHSA-N 2 1 323.440 2.702 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2)nc1 ZINC000357044875 158355367 /nfs/dbraw/zinc/35/53/67/158355367.db2.gz HIPLEUUEJIAKNM-ZWKOTPCHSA-N 2 1 323.440 2.702 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@@H]4C3)cc2)n1 ZINC000357086992 158363549 /nfs/dbraw/zinc/36/35/49/158363549.db2.gz RZZTZEJVWSFJCG-ZWKOTPCHSA-N 2 1 310.445 2.530 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358507456 158382798 /nfs/dbraw/zinc/38/27/98/158382798.db2.gz KKTIMNWMAPEXNX-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670744 158397784 /nfs/dbraw/zinc/39/77/84/158397784.db2.gz WVOGERNTSWJGKM-AOIWGVFYSA-N 2 1 303.494 2.969 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000360217533 287012728 /nfs/dbraw/zinc/01/27/28/287012728.db2.gz GPVKWAYMGNHPRH-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000441369676 297181302 /nfs/dbraw/zinc/18/13/02/297181302.db2.gz OACOPHYVEXMYDR-ZBFHGGJFSA-N 2 1 305.466 2.519 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)Cc1ccccc1 ZINC000188921862 287112603 /nfs/dbraw/zinc/11/26/03/287112603.db2.gz IYRIMFFUHZMMKF-VBSBHUPXSA-N 2 1 316.489 2.833 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000129461319 196050713 /nfs/dbraw/zinc/05/07/13/196050713.db2.gz UDZAMZPQEAGYDG-LJQANCHMSA-N 2 1 313.489 2.520 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000129583994 196059932 /nfs/dbraw/zinc/05/99/32/196059932.db2.gz FYIPUUHHMYPZEL-FPCVCCKLSA-N 2 1 306.450 2.781 20 0 DFADMP C[C@@H](CNC1CC[NH+](Cc2cccc(F)c2)CC1)[N@H+](C)C1CC1 ZINC000130724880 196104309 /nfs/dbraw/zinc/10/43/09/196104309.db2.gz JEKQYKPTIHIHPW-HNNXBMFYSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@@H](CNC1CC[NH+](Cc2cccc(F)c2)CC1)[N@@H+](C)C1CC1 ZINC000130724880 196104311 /nfs/dbraw/zinc/10/43/11/196104311.db2.gz JEKQYKPTIHIHPW-HNNXBMFYSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCc1ccc(F)cc1 ZINC000131713586 196192396 /nfs/dbraw/zinc/19/23/96/196192396.db2.gz KEMGSCOZRQSXQI-MNEFBYGVSA-N 2 1 320.452 2.847 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCn2ccnc2)CC1 ZINC000131735556 196195589 /nfs/dbraw/zinc/19/55/89/196195589.db2.gz HVQZDHCHKVDBNC-KRWDZBQOSA-N 2 1 304.482 2.860 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CCN(Cc2cc3ccncc3s2)CC1 ZINC000667611698 543640812 /nfs/dbraw/zinc/64/08/12/543640812.db2.gz YSHCWZNYFYABOC-CYBMUJFWSA-N 2 1 319.474 2.573 20 0 DFADMP Cc1ccc2cc(CN3CCC([N@H+](C)C[C@H](C)O)CC3)[nH]c2c1 ZINC000667611530 543641021 /nfs/dbraw/zinc/64/10/21/543641021.db2.gz RUPLCJNEFAVKKQ-HNNXBMFYSA-N 2 1 315.461 2.753 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(Cc2cnc3n2CCC3)CC1 ZINC000667497536 543618815 /nfs/dbraw/zinc/61/88/15/543618815.db2.gz FQZOKNNPXDQCTN-UHFFFAOYSA-N 2 1 324.472 2.846 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC[N@@H+]1C ZINC000667667483 543656048 /nfs/dbraw/zinc/65/60/48/543656048.db2.gz NVTMSYCYDHODGO-HHXXYDBFSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC[N@H+]1C ZINC000667667483 543656050 /nfs/dbraw/zinc/65/60/50/543656050.db2.gz NVTMSYCYDHODGO-HHXXYDBFSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC[NH+]1C ZINC000667667483 543656052 /nfs/dbraw/zinc/65/60/52/543656052.db2.gz NVTMSYCYDHODGO-HHXXYDBFSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)CC[NH+]1C ZINC000667667483 543656053 /nfs/dbraw/zinc/65/60/53/543656053.db2.gz NVTMSYCYDHODGO-HHXXYDBFSA-N 2 1 318.461 2.769 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@](O)(Cc3cccc(Cl)c3)C2)n1C ZINC000667712755 543665047 /nfs/dbraw/zinc/66/50/47/543665047.db2.gz OVLATNZTGAUWRC-KRWDZBQOSA-N 2 1 319.836 2.561 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667731025 543668252 /nfs/dbraw/zinc/66/82/52/543668252.db2.gz JUHWWVWRGRKSSZ-AWEZNQCLSA-N 2 1 318.465 2.777 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667764024 543674881 /nfs/dbraw/zinc/67/48/81/543674881.db2.gz OUTGHGJEWUQGDZ-INIZCTEOSA-N 2 1 320.477 2.717 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667767326 543675474 /nfs/dbraw/zinc/67/54/74/543675474.db2.gz DONXXPXHPIYWCQ-OALUTQOASA-N 2 1 300.446 2.808 20 0 DFADMP CN(Cc1cccc(F)c1OC(F)F)C[C@@H]1CC[N@@H+](C)C1 ZINC000668021046 543725013 /nfs/dbraw/zinc/72/50/13/543725013.db2.gz YJIAOEZPKKHHKY-LLVKDONJSA-N 2 1 302.340 2.811 20 0 DFADMP Cc1[nH+]cc(CN2CCN(c3ccccc3F)C[C@@H]2C)n1C ZINC000668048189 543729582 /nfs/dbraw/zinc/72/95/82/543729582.db2.gz YIOBTVZVGXXLLH-ZDUSSCGKSA-N 2 1 302.397 2.578 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668063306 543731891 /nfs/dbraw/zinc/73/18/91/543731891.db2.gz JLEBNKQXCAMEHN-HKUYNNGSSA-N 2 1 318.461 2.770 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000668063306 543731892 /nfs/dbraw/zinc/73/18/92/543731892.db2.gz JLEBNKQXCAMEHN-HKUYNNGSSA-N 2 1 318.461 2.770 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C2)cc1 ZINC000668089957 543736249 /nfs/dbraw/zinc/73/62/49/543736249.db2.gz CHFGVIFFZDXZSV-NZSAHSFTSA-N 2 1 300.446 2.666 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]2C2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000667926610 543704407 /nfs/dbraw/zinc/70/44/07/543704407.db2.gz RVWDUCPXMCHUSZ-GOSISDBHSA-N 2 1 312.417 2.658 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]2C2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000667926610 543704411 /nfs/dbraw/zinc/70/44/11/543704411.db2.gz RVWDUCPXMCHUSZ-GOSISDBHSA-N 2 1 312.417 2.658 20 0 DFADMP COC[C@H](C)Oc1ccc(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)cc1 ZINC000667947001 543707396 /nfs/dbraw/zinc/70/73/96/543707396.db2.gz BXZBDUWPTAVESQ-IEZWGBDMSA-N 2 1 318.461 2.626 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000667947001 543707398 /nfs/dbraw/zinc/70/73/98/543707398.db2.gz BXZBDUWPTAVESQ-IEZWGBDMSA-N 2 1 318.461 2.626 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@@H]3CCN(C)C[C@@H]32)cc1 ZINC000667947001 543707400 /nfs/dbraw/zinc/70/74/00/543707400.db2.gz BXZBDUWPTAVESQ-IEZWGBDMSA-N 2 1 318.461 2.626 20 0 DFADMP CCN(CCC[NH+](CC)CC)Cc1ccnn1-c1ccncc1 ZINC000668165005 543755460 /nfs/dbraw/zinc/75/54/60/543755460.db2.gz JHSRMQJOIDSHKZ-UHFFFAOYSA-N 3 1 315.465 2.821 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)C[C@@H]1CCCO[C@H]1c1cnn(C)c1 ZINC000668168311 543757596 /nfs/dbraw/zinc/75/75/96/543757596.db2.gz UDZFUNVYYHCTPU-FUHWJXTLSA-N 2 1 322.497 2.552 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@@H+](C)[C@H]2CCN(C)C[C@H]2C)cc1 ZINC000668172107 543758357 /nfs/dbraw/zinc/75/83/57/543758357.db2.gz DNLKCTSHRZAKFI-GJYPPUQNSA-N 2 1 320.477 2.872 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000668172107 543758367 /nfs/dbraw/zinc/75/83/67/543758367.db2.gz DNLKCTSHRZAKFI-GJYPPUQNSA-N 2 1 320.477 2.872 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000668172107 543758370 /nfs/dbraw/zinc/75/83/70/543758370.db2.gz DNLKCTSHRZAKFI-GJYPPUQNSA-N 2 1 320.477 2.872 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489009 543814062 /nfs/dbraw/zinc/81/40/62/543814062.db2.gz JBPZBOJLFPTPRG-AKHDSKFASA-N 2 1 300.446 2.531 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000668538217 543820519 /nfs/dbraw/zinc/82/05/19/543820519.db2.gz WUUJALFZSQBROO-UHFFFAOYSA-N 2 1 302.340 2.621 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2ccc(OC(F)F)c(Cl)c2)C1 ZINC000668539715 543821477 /nfs/dbraw/zinc/82/14/77/543821477.db2.gz JOADPWATYJYTJA-UHFFFAOYSA-N 2 1 304.768 2.935 20 0 DFADMP CN(Cc1ccc(OC(F)F)c(Cl)c1)CC1C[NH+](C)C1 ZINC000668539715 543821478 /nfs/dbraw/zinc/82/14/78/543821478.db2.gz JOADPWATYJYTJA-UHFFFAOYSA-N 2 1 304.768 2.935 20 0 DFADMP O=C1CCC(C[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000295891758 225354471 /nfs/dbraw/zinc/35/44/71/225354471.db2.gz DNVDRWZGHHFIIO-KDURUIRLSA-N 2 1 312.457 2.810 20 0 DFADMP O=C1CCC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000295891758 225354475 /nfs/dbraw/zinc/35/44/75/225354475.db2.gz DNVDRWZGHHFIIO-KDURUIRLSA-N 2 1 312.457 2.810 20 0 DFADMP O=C1CCC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000295891758 225354479 /nfs/dbraw/zinc/35/44/79/225354479.db2.gz DNVDRWZGHHFIIO-KDURUIRLSA-N 2 1 312.457 2.810 20 0 DFADMP O=C1CCC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)CC1 ZINC000295891758 225354482 /nfs/dbraw/zinc/35/44/82/225354482.db2.gz DNVDRWZGHHFIIO-KDURUIRLSA-N 2 1 312.457 2.810 20 0 DFADMP CC(C)[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738466 543857319 /nfs/dbraw/zinc/85/73/19/543857319.db2.gz DHUJVBNKFCQVNE-WOJBJXKFSA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)c1ccc(CC[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668740878 543858887 /nfs/dbraw/zinc/85/88/87/543858887.db2.gz YAKFGEDISLIDMK-HXUWFJFHSA-N 2 1 316.489 2.884 20 0 DFADMP CC(C)c1ccc(CC[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000668740878 543858891 /nfs/dbraw/zinc/85/88/91/543858891.db2.gz YAKFGEDISLIDMK-HXUWFJFHSA-N 2 1 316.489 2.884 20 0 DFADMP COCC1([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000668811212 543872462 /nfs/dbraw/zinc/87/24/62/543872462.db2.gz OSFYSGQHZXZKDF-QGZVFWFLSA-N 2 1 310.482 2.569 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCOc3ccccc32)CCO1 ZINC000668785456 543867473 /nfs/dbraw/zinc/86/74/73/543867473.db2.gz QMSDEICAMASAMX-DLBZAZTESA-N 2 1 318.461 2.595 20 0 DFADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000669621117 543976820 /nfs/dbraw/zinc/97/68/20/543976820.db2.gz GYLLIHSYBHXUNH-YJBOKZPZSA-N 2 1 306.450 2.626 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1csc(C)c1 ZINC000671683341 544097428 /nfs/dbraw/zinc/09/74/28/544097428.db2.gz QNSHAGAJXWUIHD-MRXNPFEDSA-N 2 1 323.506 2.545 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671741506 544105448 /nfs/dbraw/zinc/10/54/48/544105448.db2.gz LCKKRXIDCHPBAX-BRWVUGGUSA-N 2 1 303.450 2.831 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671741506 544105450 /nfs/dbraw/zinc/10/54/50/544105450.db2.gz LCKKRXIDCHPBAX-BRWVUGGUSA-N 2 1 303.450 2.831 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2[nH]c(=O)oc2c1 ZINC000671741913 544105611 /nfs/dbraw/zinc/10/56/11/544105611.db2.gz QFIKPCINHODBFI-LLVKDONJSA-N 2 1 300.362 2.779 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@H]2CCC[C@H]21 ZINC000672618910 544143781 /nfs/dbraw/zinc/14/37/81/544143781.db2.gz FLBCXEDYNNXXNV-NRSFXHEJSA-N 2 1 322.880 2.878 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C23CCC[NH+]2CCC3)cc1Cl ZINC000290945459 222021353 /nfs/dbraw/zinc/02/13/53/222021353.db2.gz UKSCZOGQRICIKM-UHFFFAOYSA-N 2 1 321.852 2.969 20 0 DFADMP C[C@H]([NH2+]Cc1c[nH]c2nccnc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000290971423 222038931 /nfs/dbraw/zinc/03/89/31/222038931.db2.gz XKSMJWWKMWFWAS-UONOGXRCSA-N 2 1 313.449 2.701 20 0 DFADMP C[C@H]([NH2+]Cc1c[nH]c2nccnc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000290971418 222039979 /nfs/dbraw/zinc/03/99/79/222039979.db2.gz XKSMJWWKMWFWAS-KBPBESRZSA-N 2 1 313.449 2.701 20 0 DFADMP C[C@@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000674084155 544218588 /nfs/dbraw/zinc/21/85/88/544218588.db2.gz AZUVSYNXYFHCJQ-CQSZACIVSA-N 2 1 316.449 2.598 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cn2cccc(C)c2n1 ZINC000674231659 544224928 /nfs/dbraw/zinc/22/49/28/544224928.db2.gz JHVDGJKQSZIUDS-QGZVFWFLSA-N 2 1 309.417 2.812 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cn2cccc(C)c2n1 ZINC000674231659 544224929 /nfs/dbraw/zinc/22/49/29/544224929.db2.gz JHVDGJKQSZIUDS-QGZVFWFLSA-N 2 1 309.417 2.812 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)[NH+](C)C ZINC000674245301 544226297 /nfs/dbraw/zinc/22/62/97/544226297.db2.gz JXIYHXJQAOHZIX-GJZGRUSLSA-N 2 1 303.450 2.950 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000674306014 544230845 /nfs/dbraw/zinc/23/08/45/544230845.db2.gz YOBRNSAWMKUYRS-RDJZCZTQSA-N 2 1 300.450 2.805 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCn2ccccc2=O)cc1 ZINC000675778338 544335722 /nfs/dbraw/zinc/33/57/22/544335722.db2.gz UNCYJGIPXNTLOF-HNNXBMFYSA-N 2 1 322.412 2.693 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@H](C)C1 ZINC000675783277 544336265 /nfs/dbraw/zinc/33/62/65/544336265.db2.gz FPQXJAIKCJIYSW-AEFFLSMTSA-N 2 1 301.478 2.759 20 0 DFADMP C[N@@H+]1CCC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000675768416 544334980 /nfs/dbraw/zinc/33/49/80/544334980.db2.gz XVPJSKDBWWJJHK-LJQANCHMSA-N 2 1 319.468 2.516 20 0 DFADMP C[N@H+]1CCC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000675768416 544334982 /nfs/dbraw/zinc/33/49/82/544334982.db2.gz XVPJSKDBWWJJHK-LJQANCHMSA-N 2 1 319.468 2.516 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2OC)[C@H](C)C1 ZINC000675813755 544338456 /nfs/dbraw/zinc/33/84/56/544338456.db2.gz LCNSCCMHGNONDI-CVEARBPZSA-N 2 1 306.450 2.784 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOc2ccccc2OC)[C@@H](C)C1 ZINC000675813756 544338488 /nfs/dbraw/zinc/33/84/88/544338488.db2.gz LCNSCCMHGNONDI-HOTGVXAUSA-N 2 1 306.450 2.784 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](Cn1cccn1)c1ccccc1 ZINC000675899410 544342583 /nfs/dbraw/zinc/34/25/83/544342583.db2.gz GPEUPAWBRAYGQO-AYOQOUSVSA-N 2 1 310.445 2.697 20 0 DFADMP COc1ccc(COCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000675897700 544342657 /nfs/dbraw/zinc/34/26/57/544342657.db2.gz RQJKSTXUSYOULQ-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000675897700 544342659 /nfs/dbraw/zinc/34/26/59/544342659.db2.gz RQJKSTXUSYOULQ-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000675897700 544342662 /nfs/dbraw/zinc/34/26/62/544342662.db2.gz RQJKSTXUSYOULQ-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP C[C@H](CC[N@H+]1CCCOC(C)(C)C1)[NH+]1CCCOC(C)(C)C1 ZINC000676253127 544366207 /nfs/dbraw/zinc/36/62/07/544366207.db2.gz XKVPYSMXSXEMND-MRXNPFEDSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+]1CCCOC(C)(C)C1)[N@@H+]1CCCOC(C)(C)C1 ZINC000676253127 544366210 /nfs/dbraw/zinc/36/62/10/544366210.db2.gz XKVPYSMXSXEMND-MRXNPFEDSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+]1CCCOC(C)(C)C1)[N@H+]1CCCOC(C)(C)C1 ZINC000676253127 544366212 /nfs/dbraw/zinc/36/62/12/544366212.db2.gz XKVPYSMXSXEMND-MRXNPFEDSA-N 2 1 312.498 2.767 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000677131353 544437948 /nfs/dbraw/zinc/43/79/48/544437948.db2.gz QUNGAJMVHFCZIU-KSSFIOAISA-N 2 1 324.415 2.779 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2c1 ZINC000677240791 544457142 /nfs/dbraw/zinc/45/71/42/544457142.db2.gz KXWINPCEGKKETG-CVEARBPZSA-N 2 1 313.445 2.935 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000442917484 297210996 /nfs/dbraw/zinc/21/09/96/297210996.db2.gz APAFNVXVLRQXHQ-INIZCTEOSA-N 2 1 306.450 2.663 20 0 DFADMP CC1(C)CC[C@H]([NH2+]C2CC[NH+](CCO)CC2)c2ccccc21 ZINC000677377239 544479188 /nfs/dbraw/zinc/47/91/88/544479188.db2.gz JLQCWJRALNWXDN-SFHVURJKSA-N 2 1 302.462 2.845 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCN(Cc2ccccc2)CC[C@@H]1C ZINC000677985199 544576097 /nfs/dbraw/zinc/57/60/97/544576097.db2.gz VTICFALGAYBGRW-KRWDZBQOSA-N 2 1 312.461 2.788 20 0 DFADMP Cc1nccn1CCN1CC[N@@H+](Cc2ccccc2)CC[C@@H]1C ZINC000677985199 544576098 /nfs/dbraw/zinc/57/60/98/544576098.db2.gz VTICFALGAYBGRW-KRWDZBQOSA-N 2 1 312.461 2.788 20 0 DFADMP Cc1nccn1CCN1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000677985199 544576102 /nfs/dbraw/zinc/57/61/02/544576102.db2.gz VTICFALGAYBGRW-KRWDZBQOSA-N 2 1 312.461 2.788 20 0 DFADMP C[C@H](CO)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678044266 544586811 /nfs/dbraw/zinc/58/68/11/544586811.db2.gz NVABFELHZMEBIU-UHOSZYNNSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678044266 544586812 /nfs/dbraw/zinc/58/68/12/544586812.db2.gz NVABFELHZMEBIU-UHOSZYNNSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678044266 544586815 /nfs/dbraw/zinc/58/68/15/544586815.db2.gz NVABFELHZMEBIU-UHOSZYNNSA-N 2 1 302.462 2.601 20 0 DFADMP C/C(=C/c1ccccc1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000678258770 544635060 /nfs/dbraw/zinc/63/50/60/544635060.db2.gz MTWQZCVEUZWSBS-PUWPPSGDSA-N 2 1 313.489 2.802 20 0 DFADMP C/C(=C/c1ccccc1)C[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000678258770 544635063 /nfs/dbraw/zinc/63/50/63/544635063.db2.gz MTWQZCVEUZWSBS-PUWPPSGDSA-N 2 1 313.489 2.802 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c(C)n1 ZINC000678426804 544672088 /nfs/dbraw/zinc/67/20/88/544672088.db2.gz IUHMHVQFAHEBEO-SJORKVTESA-N 2 1 317.477 2.850 20 0 DFADMP CC[N@H+]1C[C@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@@H]1C ZINC000678272215 544640185 /nfs/dbraw/zinc/64/01/85/544640185.db2.gz CODNHEQWKWHXOY-IRXDYDNUSA-N 2 1 319.493 2.542 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2nn(C)c3ccccc23)C1 ZINC000678283344 544644142 /nfs/dbraw/zinc/64/41/42/544644142.db2.gz JKQUYTMXTGOAIC-HNNXBMFYSA-N 2 1 300.450 2.737 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1 ZINC000299490999 229148977 /nfs/dbraw/zinc/14/89/77/229148977.db2.gz AUEUXGWBOOZBJA-UHFFFAOYSA-N 2 1 300.406 2.542 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1 ZINC000299490999 229148981 /nfs/dbraw/zinc/14/89/81/229148981.db2.gz AUEUXGWBOOZBJA-UHFFFAOYSA-N 2 1 300.406 2.542 20 0 DFADMP C[N@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720612 544712253 /nfs/dbraw/zinc/71/22/53/544712253.db2.gz ZKOONJDCQWQXFB-MRXNPFEDSA-N 2 1 323.431 2.565 20 0 DFADMP C[N@@H+](Cc1ccc(F)c(F)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000678720612 544712257 /nfs/dbraw/zinc/71/22/57/544712257.db2.gz ZKOONJDCQWQXFB-MRXNPFEDSA-N 2 1 323.431 2.565 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000299599418 229249922 /nfs/dbraw/zinc/24/99/22/229249922.db2.gz MLQJYRABUKUUMY-GOSISDBHSA-N 2 1 311.429 2.990 20 0 DFADMP COc1cc(F)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000679023822 544770083 /nfs/dbraw/zinc/77/00/83/544770083.db2.gz HRXACLBNSHVXHJ-NEPJUHHUSA-N 2 1 319.380 2.705 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000679036651 544772571 /nfs/dbraw/zinc/77/25/71/544772571.db2.gz OFFDCNFMUCZETO-QGZVFWFLSA-N 2 1 308.853 2.837 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCCn2cncn2)cc1 ZINC000679036519 544772945 /nfs/dbraw/zinc/77/29/45/544772945.db2.gz MIDZHZJTGXPDHA-CQSZACIVSA-N 2 1 310.405 2.513 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000679039063 544773468 /nfs/dbraw/zinc/77/34/68/544773468.db2.gz XFYYWZUFTCZUBU-MSOLQXFVSA-N 2 1 306.425 2.508 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCC(F)(F)C2)[C@H](C)C1 ZINC000679072866 544779518 /nfs/dbraw/zinc/77/95/18/544779518.db2.gz DTHNAJXUFFPCCR-ILXRZTDVSA-N 2 1 304.425 2.901 20 0 DFADMP OCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000679395443 544848815 /nfs/dbraw/zinc/84/88/15/544848815.db2.gz XGCPXLCSUVLNIE-BCDXTJNWSA-N 2 1 300.446 2.544 20 0 DFADMP C[C@@H](CCCCO)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000679337062 544836860 /nfs/dbraw/zinc/83/68/60/544836860.db2.gz JWQZBUVOWGQDFM-HKUYNNGSSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@@H](CCCCO)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000679337065 544837188 /nfs/dbraw/zinc/83/71/88/544837188.db2.gz JWQZBUVOWGQDFM-PKOBYXMFSA-N 2 1 304.478 2.692 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H](C)CCCCO)CCCC2)CC1 ZINC000679340683 544837423 /nfs/dbraw/zinc/83/74/23/544837423.db2.gz GZPFOPKDZNVRPU-MRXNPFEDSA-N 2 1 312.498 2.551 20 0 DFADMP CO[C@@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679953867 544933573 /nfs/dbraw/zinc/93/35/73/544933573.db2.gz XOIAXMAUOABMJR-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)CN(C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091140 544956754 /nfs/dbraw/zinc/95/67/54/544956754.db2.gz KOHQWPJASHDIPO-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091140 544956758 /nfs/dbraw/zinc/95/67/58/544956758.db2.gz KOHQWPJASHDIPO-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091140 544956760 /nfs/dbraw/zinc/95/67/60/544956760.db2.gz KOHQWPJASHDIPO-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091140 544956764 /nfs/dbraw/zinc/95/67/64/544956764.db2.gz KOHQWPJASHDIPO-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091140 544956767 /nfs/dbraw/zinc/95/67/67/544956767.db2.gz KOHQWPJASHDIPO-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091144 544956829 /nfs/dbraw/zinc/95/68/29/544956829.db2.gz KOHQWPJASHDIPO-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091144 544956834 /nfs/dbraw/zinc/95/68/34/544956834.db2.gz KOHQWPJASHDIPO-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091144 544956837 /nfs/dbraw/zinc/95/68/37/544956837.db2.gz KOHQWPJASHDIPO-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091144 544956842 /nfs/dbraw/zinc/95/68/42/544956842.db2.gz KOHQWPJASHDIPO-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091144 544956845 /nfs/dbraw/zinc/95/68/45/544956845.db2.gz KOHQWPJASHDIPO-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[N@@H+](C[C@H](O)CN(C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091141 544956908 /nfs/dbraw/zinc/95/69/08/544956908.db2.gz KOHQWPJASHDIPO-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091141 544956910 /nfs/dbraw/zinc/95/69/10/544956910.db2.gz KOHQWPJASHDIPO-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091141 544956913 /nfs/dbraw/zinc/95/69/13/544956913.db2.gz KOHQWPJASHDIPO-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091141 544956915 /nfs/dbraw/zinc/95/69/15/544956915.db2.gz KOHQWPJASHDIPO-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091141 544956918 /nfs/dbraw/zinc/95/69/18/544956918.db2.gz KOHQWPJASHDIPO-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP Cc1cc(C)cc(CNC[C@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000067448839 425910196 /nfs/dbraw/zinc/91/01/96/425910196.db2.gz AUPDEYSUAIBBOX-NRFANRHFSA-N 2 1 324.468 2.812 20 0 DFADMP Cc1cc(C)cc(CNC[C@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000067448839 425910197 /nfs/dbraw/zinc/91/01/97/425910197.db2.gz AUPDEYSUAIBBOX-NRFANRHFSA-N 2 1 324.468 2.812 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)o1 ZINC000124540958 425925144 /nfs/dbraw/zinc/92/51/44/425925144.db2.gz WFJILQPSMPAKAZ-HNNXBMFYSA-N 2 1 307.482 2.766 20 0 DFADMP CCn1ncnc1C[NH+]1CCC(CCC[NH+](CC)CC)CC1 ZINC000193544316 268071406 /nfs/dbraw/zinc/07/14/06/268071406.db2.gz WOZKHYXLFIISHA-UHFFFAOYSA-N 2 1 307.486 2.632 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2c(cnn2C(C)C)c1 ZINC000264546155 268173610 /nfs/dbraw/zinc/17/36/10/268173610.db2.gz VTLSPSANQAFASK-UHFFFAOYSA-N 2 1 312.421 2.697 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000268823653 268186197 /nfs/dbraw/zinc/18/61/97/268186197.db2.gz OSEJWTZHFRQRMO-HZPDHXFCSA-N 2 1 317.477 2.533 20 0 DFADMP CCC(O)(CC)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268982561 268187472 /nfs/dbraw/zinc/18/74/72/268187472.db2.gz IDXIDHJPLROMGW-UHFFFAOYSA-N 2 1 322.468 2.973 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000270604981 268190674 /nfs/dbraw/zinc/19/06/74/268190674.db2.gz GOTYTABBBQSBRZ-HKUYNNGSSA-N 2 1 312.461 2.834 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)c1 ZINC000270604981 268190676 /nfs/dbraw/zinc/19/06/76/268190676.db2.gz GOTYTABBBQSBRZ-HKUYNNGSSA-N 2 1 312.461 2.834 20 0 DFADMP Cc1nc2sccn2c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000270624780 268193709 /nfs/dbraw/zinc/19/37/09/268193709.db2.gz KODTWEMQLOHRQX-UHFFFAOYSA-N 2 1 303.435 2.731 20 0 DFADMP Cc1nc2sccn2c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000270624780 268193712 /nfs/dbraw/zinc/19/37/12/268193712.db2.gz KODTWEMQLOHRQX-UHFFFAOYSA-N 2 1 303.435 2.731 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000270653995 268197043 /nfs/dbraw/zinc/19/70/43/268197043.db2.gz MMNSUEPYOFZQSA-LJQANCHMSA-N 2 1 313.445 2.954 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](CCCO)[C@@H]1CCCc2ccccc21 ZINC000270653995 268197045 /nfs/dbraw/zinc/19/70/45/268197045.db2.gz MMNSUEPYOFZQSA-LJQANCHMSA-N 2 1 313.445 2.954 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)[nH+]1 ZINC000270850691 268226420 /nfs/dbraw/zinc/22/64/20/268226420.db2.gz XTMWRUFRXBSGQQ-CVAIRZPRSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)[nH+]1 ZINC000270850691 268226422 /nfs/dbraw/zinc/22/64/22/268226422.db2.gz XTMWRUFRXBSGQQ-CVAIRZPRSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](CCCO)Cc1cccc(Cl)c1 ZINC000270858649 268226822 /nfs/dbraw/zinc/22/68/22/268226822.db2.gz JLVVOAWUMBZKCP-UHFFFAOYSA-N 2 1 307.825 2.730 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](CCCO)Cc1cccc(Cl)c1 ZINC000270858649 268226823 /nfs/dbraw/zinc/22/68/23/268226823.db2.gz JLVVOAWUMBZKCP-UHFFFAOYSA-N 2 1 307.825 2.730 20 0 DFADMP COCC[N@@H+](C)CCCC1CCN(c2cc(C)ccn2)CC1 ZINC000270973605 268242707 /nfs/dbraw/zinc/24/27/07/268242707.db2.gz QNXVIWIOBDKDGT-UHFFFAOYSA-N 2 1 305.466 2.965 20 0 DFADMP COCC[N@H+](C)CCCC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000270973605 268242709 /nfs/dbraw/zinc/24/27/09/268242709.db2.gz QNXVIWIOBDKDGT-UHFFFAOYSA-N 2 1 305.466 2.965 20 0 DFADMP COCC[N@@H+](C)CCCC1CCN(c2cc(C)cc[nH+]2)CC1 ZINC000270973605 268242711 /nfs/dbraw/zinc/24/27/11/268242711.db2.gz QNXVIWIOBDKDGT-UHFFFAOYSA-N 2 1 305.466 2.965 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(CO)o1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272258525 268251594 /nfs/dbraw/zinc/25/15/94/268251594.db2.gz ZPIGJIVQURMIFE-DOTOQJQBSA-N 2 1 314.429 2.772 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(CO)o1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272258525 268251596 /nfs/dbraw/zinc/25/15/96/268251596.db2.gz ZPIGJIVQURMIFE-DOTOQJQBSA-N 2 1 314.429 2.772 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000295145264 268290791 /nfs/dbraw/zinc/29/07/91/268290791.db2.gz CCDZIPKQMXLYGY-OAHLLOKOSA-N 2 1 311.429 2.865 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000295145264 268290793 /nfs/dbraw/zinc/29/07/93/268290793.db2.gz CCDZIPKQMXLYGY-OAHLLOKOSA-N 2 1 311.429 2.865 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309775017 268336061 /nfs/dbraw/zinc/33/60/61/268336061.db2.gz YVIFQKRBUWFQDI-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309775017 268336063 /nfs/dbraw/zinc/33/60/63/268336063.db2.gz YVIFQKRBUWFQDI-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP c1coc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000314879833 268342214 /nfs/dbraw/zinc/34/22/14/268342214.db2.gz HZSRZMXKLIFZFX-BETUJISGSA-N 2 1 303.431 2.835 20 0 DFADMP C[C@@H]1c2ccsc2CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315814942 268343985 /nfs/dbraw/zinc/34/39/85/268343985.db2.gz YBKVSLWROWRFCZ-COXVUDFISA-N 2 1 316.470 2.598 20 0 DFADMP C[C@@H]1c2ccsc2CC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000315814942 268343987 /nfs/dbraw/zinc/34/39/87/268343987.db2.gz YBKVSLWROWRFCZ-COXVUDFISA-N 2 1 316.470 2.598 20 0 DFADMP c1ccc(CN2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000323833268 268350326 /nfs/dbraw/zinc/35/03/26/268350326.db2.gz RCYLSUDDYXMISW-SFHVURJKSA-N 2 1 301.478 2.584 20 0 DFADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)cc(Cl)c1OC ZINC000049554082 425879861 /nfs/dbraw/zinc/87/98/61/425879861.db2.gz DAYFUCSWDKFGBH-LLVKDONJSA-N 2 1 300.830 2.787 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000107369840 425989343 /nfs/dbraw/zinc/98/93/43/425989343.db2.gz YQEPQWDLGJFESP-HOTGVXAUSA-N 2 1 305.441 2.599 20 0 DFADMP CC(C)[C@@H](CO)[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125034088 425950775 /nfs/dbraw/zinc/95/07/75/425950775.db2.gz RVHFJGRQJGGJHM-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H](CO)[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000125034088 425950777 /nfs/dbraw/zinc/95/07/77/425950777.db2.gz RVHFJGRQJGGJHM-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H](CO)[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000125034088 425950780 /nfs/dbraw/zinc/95/07/80/425950780.db2.gz RVHFJGRQJGGJHM-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CCOC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158969431 425951371 /nfs/dbraw/zinc/95/13/71/425951371.db2.gz FDHAUIRAVNVYIB-MRXNPFEDSA-N 2 1 310.482 2.916 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000125419141 425970409 /nfs/dbraw/zinc/97/04/09/425970409.db2.gz LASIWPRMPQTBLT-ZWKOTPCHSA-N 2 1 318.461 2.818 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000125419141 425970411 /nfs/dbraw/zinc/97/04/11/425970411.db2.gz LASIWPRMPQTBLT-ZWKOTPCHSA-N 2 1 318.461 2.818 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1)[NH+](C)C ZINC000126567982 426026329 /nfs/dbraw/zinc/02/63/29/426026329.db2.gz ZWYHKLXEBAXYRQ-DYVFJYSZSA-N 2 1 314.433 2.698 20 0 DFADMP CC(=O)N1CCC([NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CC1 ZINC000126735954 426034490 /nfs/dbraw/zinc/03/44/90/426034490.db2.gz LXFGMESUNJASFX-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1(C)CC1 ZINC000126729717 426034579 /nfs/dbraw/zinc/03/45/79/426034579.db2.gz KRNPERXWSZYXSM-MRXNPFEDSA-N 2 1 301.478 2.712 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CCC[C@@H]([NH+]2CCCCC2)C1 ZINC000161733864 426037030 /nfs/dbraw/zinc/03/70/30/426037030.db2.gz XPNCWOIHRPZEIN-GOSISDBHSA-N 2 1 304.482 2.922 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCOc2ccc(OC)cc2)CC1 ZINC000111240886 426041165 /nfs/dbraw/zinc/04/11/65/426041165.db2.gz SBCHIRHSVMQQAC-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000162181265 426055376 /nfs/dbraw/zinc/05/53/76/426055376.db2.gz QVAXSKXQINOXBN-GOSISDBHSA-N 2 1 321.465 2.632 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162408931 426063432 /nfs/dbraw/zinc/06/34/32/426063432.db2.gz LQNVYJKWTDSGRN-AEFFLSMTSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162408931 426063437 /nfs/dbraw/zinc/06/34/37/426063437.db2.gz LQNVYJKWTDSGRN-AEFFLSMTSA-N 2 1 316.493 2.892 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CN(C)C(=O)OC(C)(C)C ZINC000162489942 426066395 /nfs/dbraw/zinc/06/63/95/426066395.db2.gz RMJGOMTYKBOTJP-QLFBSQMISA-N 2 1 313.486 2.562 20 0 DFADMP COC(=O)[C@@H](C)[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000127450981 426067085 /nfs/dbraw/zinc/06/70/85/426067085.db2.gz OCGISOAHFRCTSX-YOEHRIQHSA-N 2 1 315.417 2.722 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN(Cc2[nH+]cc(C)c(OC)c2C)C1 ZINC000076000927 426092760 /nfs/dbraw/zinc/09/27/60/426092760.db2.gz BAVJQPSZADZMOW-INIZCTEOSA-N 2 1 305.466 2.871 20 0 DFADMP Cc1ccc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000128012723 426098116 /nfs/dbraw/zinc/09/81/16/426098116.db2.gz XTXNAXBJVKWJQR-IRXDYDNUSA-N 2 1 317.477 2.541 20 0 DFADMP COCCOCCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000163431538 426098932 /nfs/dbraw/zinc/09/89/32/426098932.db2.gz ZGTUKJYUEIAREK-HNNXBMFYSA-N 2 1 317.433 2.884 20 0 DFADMP CC[C@@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)c1cnn(C)c1 ZINC000128081346 426101621 /nfs/dbraw/zinc/10/16/21/426101621.db2.gz SZHOQRQKADIVPL-QGZVFWFLSA-N 2 1 313.449 2.833 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2c(s1)CCC2 ZINC000128420772 426116649 /nfs/dbraw/zinc/11/66/49/426116649.db2.gz BHBCVXKYHWDMSP-HNNXBMFYSA-N 2 1 321.534 2.915 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000113514721 426117071 /nfs/dbraw/zinc/11/70/71/426117071.db2.gz ZFFPBKASFJDYBM-ZDUSSCGKSA-N 2 1 316.367 2.968 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000113514721 426117072 /nfs/dbraw/zinc/11/70/72/426117072.db2.gz ZFFPBKASFJDYBM-ZDUSSCGKSA-N 2 1 316.367 2.968 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]CCCCn1cc[nH+]c1C ZINC000164648200 426117578 /nfs/dbraw/zinc/11/75/78/426117578.db2.gz JRXZATWCPHSMFT-GOSISDBHSA-N 2 1 301.434 2.819 20 0 DFADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)cc1 ZINC000168318465 426134581 /nfs/dbraw/zinc/13/45/81/426134581.db2.gz DNCJZCHQZAMBCQ-HZPDHXFCSA-N 2 1 320.477 2.888 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCOC3)CC2)oc1C ZINC000162733906 426075224 /nfs/dbraw/zinc/07/52/24/426075224.db2.gz AOHVTTUOBCUTBO-WMLDXEAASA-N 2 1 321.465 2.518 20 0 DFADMP CCC[N@H+](CCCOC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477228 426137618 /nfs/dbraw/zinc/13/76/18/426137618.db2.gz RHEPDESHZFMLKA-UHFFFAOYSA-N 2 1 320.481 2.811 20 0 DFADMP CCC[N@@H+](CCCOC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000114477228 426137620 /nfs/dbraw/zinc/13/76/20/426137620.db2.gz RHEPDESHZFMLKA-UHFFFAOYSA-N 2 1 320.481 2.811 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C(N)=O ZINC000112529670 426082152 /nfs/dbraw/zinc/08/21/52/426082152.db2.gz ACRHLVCGMBMTRS-RVKKMQEKSA-N 2 1 317.477 2.518 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000075766422 426082486 /nfs/dbraw/zinc/08/24/86/426082486.db2.gz MCUWDYNZOGHDMZ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000075766422 426082489 /nfs/dbraw/zinc/08/24/89/426082489.db2.gz MCUWDYNZOGHDMZ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000075766422 426082491 /nfs/dbraw/zinc/08/24/91/426082491.db2.gz MCUWDYNZOGHDMZ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000116879078 426200376 /nfs/dbraw/zinc/20/03/76/426200376.db2.gz FSNMNLMEANXTBQ-AZUAARDMSA-N 2 1 315.505 2.892 20 0 DFADMP C[N@H+](CCC[NH2+]Cc1cccc(C(N)=O)c1)C1CCCCC1 ZINC000079773898 426203110 /nfs/dbraw/zinc/20/31/10/426203110.db2.gz ZZWMKQQLRVJOCE-UHFFFAOYSA-N 2 1 303.450 2.530 20 0 DFADMP C[N@@H+](CCC[NH2+]Cc1cccc(C(N)=O)c1)C1CCCCC1 ZINC000079773898 426203111 /nfs/dbraw/zinc/20/31/11/426203111.db2.gz ZZWMKQQLRVJOCE-UHFFFAOYSA-N 2 1 303.450 2.530 20 0 DFADMP CN(C(=O)CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C)c1ccccc1 ZINC000135103028 426205142 /nfs/dbraw/zinc/20/51/42/426205142.db2.gz FDDHTZIIZWLHMU-QGZVFWFLSA-N 2 1 317.477 2.846 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@H](C)C1 ZINC000130381229 426156514 /nfs/dbraw/zinc/15/65/14/426156514.db2.gz VOVHQKGUSZNGMC-APWZRJJASA-N 2 1 312.461 2.735 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1)C(C)C ZINC000170868179 426157192 /nfs/dbraw/zinc/15/71/92/426157192.db2.gz FFUIWSQQDRKFAL-SFHVURJKSA-N 2 1 317.477 2.693 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302105 426172755 /nfs/dbraw/zinc/17/27/55/426172755.db2.gz AMYDXYHIALEMNV-BMFZPTHFSA-N 2 1 304.434 2.981 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302105 426172757 /nfs/dbraw/zinc/17/27/57/426172757.db2.gz AMYDXYHIALEMNV-BMFZPTHFSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000134084205 426185362 /nfs/dbraw/zinc/18/53/62/426185362.db2.gz UFDKIWBOUAEGSM-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP CC[C@]1(C(=O)N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCC[NH2+]1 ZINC000134584333 426188473 /nfs/dbraw/zinc/18/84/73/426188473.db2.gz UAHMMZUYRKDMQG-JENIJYKNSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000134732087 426193404 /nfs/dbraw/zinc/19/34/04/426193404.db2.gz BDHRATNAZQGHOZ-ZDUSSCGKSA-N 2 1 308.388 2.904 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000134732087 426193405 /nfs/dbraw/zinc/19/34/05/426193405.db2.gz BDHRATNAZQGHOZ-ZDUSSCGKSA-N 2 1 308.388 2.904 20 0 DFADMP CCCCCCNC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134861991 426196835 /nfs/dbraw/zinc/19/68/35/426196835.db2.gz FVOLMDBJNXIWBD-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC000171589161 426197232 /nfs/dbraw/zinc/19/72/32/426197232.db2.gz FMJBQZMTUNBRIB-GJZGRUSLSA-N 2 1 308.441 2.911 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134890638 426198219 /nfs/dbraw/zinc/19/82/19/426198219.db2.gz BIEHDDJZWOLGLC-ZMSDIMECSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H]1CC[N@@H+](CCOc2ccc(F)cc2)C[C@@H]1n1ccnc1 ZINC000136082211 426234446 /nfs/dbraw/zinc/23/44/46/426234446.db2.gz JNFWIQZWVREKQW-PBHICJAKSA-N 2 1 303.381 2.984 20 0 DFADMP COc1ccc(OCCC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000136306741 426238909 /nfs/dbraw/zinc/23/89/09/426238909.db2.gz IUWNHNRHGHRGHY-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000136306741 426238913 /nfs/dbraw/zinc/23/89/13/426238913.db2.gz IUWNHNRHGHRGHY-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000136355545 426240705 /nfs/dbraw/zinc/24/07/05/426240705.db2.gz GUWXRPVKDLZPMX-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000136355545 426240709 /nfs/dbraw/zinc/24/07/09/426240709.db2.gz GUWXRPVKDLZPMX-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP COC(CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000136780613 426245686 /nfs/dbraw/zinc/24/56/86/426245686.db2.gz AGVHKIPDJWNJOI-NVXWUHKLSA-N 2 1 306.450 2.590 20 0 DFADMP COC(C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)OC ZINC000136780613 426245689 /nfs/dbraw/zinc/24/56/89/426245689.db2.gz AGVHKIPDJWNJOI-NVXWUHKLSA-N 2 1 306.450 2.590 20 0 DFADMP COC(C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)OC ZINC000136780613 426245692 /nfs/dbraw/zinc/24/56/92/426245692.db2.gz AGVHKIPDJWNJOI-NVXWUHKLSA-N 2 1 306.450 2.590 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCC[NH+](C)C1 ZINC000118841350 426248851 /nfs/dbraw/zinc/24/88/51/426248851.db2.gz KPFVIUMEGXENNZ-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000118841350 426248853 /nfs/dbraw/zinc/24/88/53/426248853.db2.gz KPFVIUMEGXENNZ-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000118841350 426248856 /nfs/dbraw/zinc/24/88/56/426248856.db2.gz KPFVIUMEGXENNZ-CQSZACIVSA-N 2 1 323.868 2.942 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](c2ccc(C)cc2)[NH+](C)C)[C@H](C)C1 ZINC000118962515 426252594 /nfs/dbraw/zinc/25/25/94/426252594.db2.gz PQIPJPJESQSSIA-NEWSRXKRSA-N 2 1 303.494 2.918 20 0 DFADMP CN(CC[NH+]1CCCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402155 426254840 /nfs/dbraw/zinc/25/48/40/426254840.db2.gz PKOCQJHLFHJNGD-HXUWFJFHSA-N 2 1 315.505 2.926 20 0 DFADMP CN(CC[NH+]1CCCCC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000174402137 426254976 /nfs/dbraw/zinc/25/49/76/426254976.db2.gz PKOCQJHLFHJNGD-FQEVSTJZSA-N 2 1 315.505 2.926 20 0 DFADMP CC(C)CC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000135318044 426212784 /nfs/dbraw/zinc/21/27/84/426212784.db2.gz RCFWOVIGJOJHOU-SFHVURJKSA-N 2 1 323.525 2.876 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]C[C@@H](O)CN2CCCCC2)cc1 ZINC000151340945 426290546 /nfs/dbraw/zinc/29/05/46/426290546.db2.gz MSSMKKPZUPJORV-DOTOQJQBSA-N 2 1 306.450 2.583 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCC2 ZINC000151360990 426291736 /nfs/dbraw/zinc/29/17/36/426291736.db2.gz LTXCDZBLZURWDM-HNNXBMFYSA-N 2 1 302.462 2.673 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@H](C)C1 ZINC000089667047 426301517 /nfs/dbraw/zinc/30/15/17/426301517.db2.gz QBCKWRQHVAFOMT-KGLIPLIRSA-N 2 1 307.507 2.884 20 0 DFADMP COC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000151664427 426306729 /nfs/dbraw/zinc/30/67/29/426306729.db2.gz NFEYTVSVUKJWOT-OCCSQVGLSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1F ZINC000151664427 426306732 /nfs/dbraw/zinc/30/67/32/426306732.db2.gz NFEYTVSVUKJWOT-OCCSQVGLSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cc1F ZINC000151664427 426306733 /nfs/dbraw/zinc/30/67/33/426306733.db2.gz NFEYTVSVUKJWOT-OCCSQVGLSA-N 2 1 308.397 2.527 20 0 DFADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000151923061 426318916 /nfs/dbraw/zinc/31/89/16/426318916.db2.gz VJZLMMTUBJMSJB-HNNXBMFYSA-N 2 1 316.449 2.601 20 0 DFADMP Cc1ccc2ncc(CNC(C)(C)C(=O)NCC(C)(C)C)n2c1 ZINC000121225488 426326113 /nfs/dbraw/zinc/32/61/13/426326113.db2.gz AKQFFMZSJBNXIS-UHFFFAOYSA-N 2 1 316.449 2.673 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCC1 ZINC000121236834 426327113 /nfs/dbraw/zinc/32/71/13/426327113.db2.gz FSBUCLVCWARCHR-NCOADZHNSA-N 2 1 305.466 2.735 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552607 426327542 /nfs/dbraw/zinc/32/75/42/426327542.db2.gz RTFPNCSXUYPFJV-OALUTQOASA-N 2 1 313.489 2.855 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552607 426327546 /nfs/dbraw/zinc/32/75/46/426327546.db2.gz RTFPNCSXUYPFJV-OALUTQOASA-N 2 1 313.489 2.855 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCN3CCCc4ccccc43)CC[C@@H]21 ZINC000090552607 426327550 /nfs/dbraw/zinc/32/75/50/426327550.db2.gz RTFPNCSXUYPFJV-OALUTQOASA-N 2 1 313.489 2.855 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCN2CCCc3ccccc32)CC[N@@H+]1C ZINC000090551656 426327630 /nfs/dbraw/zinc/32/76/30/426327630.db2.gz PBRVZADTXWKGBV-WMZOPIPTSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCN2CCCc3ccccc32)CC[N@H+]1C ZINC000090551656 426327632 /nfs/dbraw/zinc/32/76/32/426327632.db2.gz PBRVZADTXWKGBV-WMZOPIPTSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCN2CCCc3ccccc32)CC[NH+]1C ZINC000090551656 426327636 /nfs/dbraw/zinc/32/76/36/426327636.db2.gz PBRVZADTXWKGBV-WMZOPIPTSA-N 2 1 301.478 2.854 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCN2CCCc3ccccc32)CC[NH+]1C ZINC000090551656 426327639 /nfs/dbraw/zinc/32/76/39/426327639.db2.gz PBRVZADTXWKGBV-WMZOPIPTSA-N 2 1 301.478 2.854 20 0 DFADMP Cc1cc(NC(=O)NC[C@@H](c2ccco2)N2CCCC2)ccn1 ZINC000119297049 426277018 /nfs/dbraw/zinc/27/70/18/426277018.db2.gz FUWTUQHZNHNNQX-HNNXBMFYSA-N 2 1 314.389 2.942 20 0 DFADMP CCn1cc(C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)cn1 ZINC000119311950 426278380 /nfs/dbraw/zinc/27/83/80/426278380.db2.gz NIESIVDMMSRIAV-UHFFFAOYSA-N 2 1 312.461 2.999 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000122817922 426396042 /nfs/dbraw/zinc/39/60/42/426396042.db2.gz JYNJQLVFYLIQPJ-INIZCTEOSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CCOCC1 ZINC000122817922 426396045 /nfs/dbraw/zinc/39/60/45/426396045.db2.gz JYNJQLVFYLIQPJ-INIZCTEOSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC[N@H+]1C ZINC000122867690 426400711 /nfs/dbraw/zinc/40/07/11/426400711.db2.gz RMVNHBRUBZYWJN-ZBFHGGJFSA-N 2 1 318.461 2.808 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000153755700 426404171 /nfs/dbraw/zinc/40/41/71/426404171.db2.gz ZIOPRMLATBFKBV-LLVKDONJSA-N 2 1 304.356 2.723 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cc(F)c(F)c(F)c1 ZINC000153755700 426404177 /nfs/dbraw/zinc/40/41/77/426404177.db2.gz ZIOPRMLATBFKBV-LLVKDONJSA-N 2 1 304.356 2.723 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984551 426365034 /nfs/dbraw/zinc/36/50/34/426365034.db2.gz JAVDBZNPWXAVIW-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984551 426365037 /nfs/dbraw/zinc/36/50/37/426365037.db2.gz JAVDBZNPWXAVIW-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@@H](N[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984551 426365040 /nfs/dbraw/zinc/36/50/40/426365040.db2.gz JAVDBZNPWXAVIW-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000152984551 426365045 /nfs/dbraw/zinc/36/50/45/426365045.db2.gz JAVDBZNPWXAVIW-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000122758418 426392369 /nfs/dbraw/zinc/39/23/69/426392369.db2.gz ZQQYTIDSMGQEJP-LJQANCHMSA-N 2 1 312.461 2.909 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)c1cnn(C)c1 ZINC000122758418 426392371 /nfs/dbraw/zinc/39/23/71/426392371.db2.gz ZQQYTIDSMGQEJP-LJQANCHMSA-N 2 1 312.461 2.909 20 0 DFADMP C[C@H]1C[C@@H](NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000122759240 426392651 /nfs/dbraw/zinc/39/26/51/426392651.db2.gz GGOASSOBZMNHJR-LPHOPBHVSA-N 3 1 301.478 2.507 20 0 DFADMP C[C@H]1C[C@@H](NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000122759240 426392652 /nfs/dbraw/zinc/39/26/52/426392652.db2.gz GGOASSOBZMNHJR-LPHOPBHVSA-N 3 1 301.478 2.507 20 0 DFADMP C[C@H]1C[C@@H](NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000122759240 426392654 /nfs/dbraw/zinc/39/26/54/426392654.db2.gz GGOASSOBZMNHJR-LPHOPBHVSA-N 3 1 301.478 2.507 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000122999792 426407294 /nfs/dbraw/zinc/40/72/94/426407294.db2.gz QQBZDICQHKOHSG-APWZRJJASA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000122999792 426407298 /nfs/dbraw/zinc/40/72/98/426407298.db2.gz QQBZDICQHKOHSG-APWZRJJASA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000122999792 426407302 /nfs/dbraw/zinc/40/73/02/426407302.db2.gz QQBZDICQHKOHSG-APWZRJJASA-N 2 1 301.478 2.855 20 0 DFADMP C[C@@H]1C[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000122999792 426407303 /nfs/dbraw/zinc/40/73/03/426407303.db2.gz QQBZDICQHKOHSG-APWZRJJASA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000122999575 426408178 /nfs/dbraw/zinc/40/81/78/426408178.db2.gz QQBZDICQHKOHSG-QFBILLFUSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CCN1C ZINC000122999575 426408181 /nfs/dbraw/zinc/40/81/81/426408181.db2.gz QQBZDICQHKOHSG-QFBILLFUSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@H](NCc2cccc(C[NH+]3CCCC3)c2)CC[N@@H+]1C ZINC000122999575 426408184 /nfs/dbraw/zinc/40/81/84/426408184.db2.gz QQBZDICQHKOHSG-QFBILLFUSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@H](NCc2cccc(C[NH+]3CCCC3)c2)CC[N@H+]1C ZINC000122999575 426408186 /nfs/dbraw/zinc/40/81/86/426408186.db2.gz QQBZDICQHKOHSG-QFBILLFUSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123031502 426410620 /nfs/dbraw/zinc/41/06/20/426410620.db2.gz OSNACBRMAHPODI-LPHOPBHVSA-N 3 1 301.478 2.712 20 0 DFADMP C[C@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123031502 426410622 /nfs/dbraw/zinc/41/06/22/426410622.db2.gz OSNACBRMAHPODI-LPHOPBHVSA-N 2 1 301.478 2.712 20 0 DFADMP Cc1ccc(CN2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153976104 426416494 /nfs/dbraw/zinc/41/64/94/426416494.db2.gz WAMNDGWNVZAGGB-KDURUIRLSA-N 2 1 315.505 2.985 20 0 DFADMP Cc1ccc(C[NH+]2CCN(CC[N@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153976104 426416497 /nfs/dbraw/zinc/41/64/97/426416497.db2.gz WAMNDGWNVZAGGB-KDURUIRLSA-N 2 1 315.505 2.985 20 0 DFADMP Cc1ccc(C[NH+]2CCN(CC[N@@H+]3[C@H](C)CC[C@@H]3C)CC2)cc1 ZINC000153976104 426416499 /nfs/dbraw/zinc/41/64/99/426416499.db2.gz WAMNDGWNVZAGGB-KDURUIRLSA-N 2 1 315.505 2.985 20 0 DFADMP COCCN(Cc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000176982345 426430716 /nfs/dbraw/zinc/43/07/16/426430716.db2.gz ITLKCBNOVBLDFC-UHFFFAOYSA-N 2 1 322.412 2.916 20 0 DFADMP C[C@@H]1C[C@@H](N(C)CCc2nc(-c3ccccc3)no2)CC[N@H+]1C ZINC000123410411 426431932 /nfs/dbraw/zinc/43/19/32/426431932.db2.gz WMHDSRUEEYKFTH-ZBFHGGJFSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2nc(-c3ccccc3)no2)CCN1C ZINC000123410411 426431935 /nfs/dbraw/zinc/43/19/35/426431935.db2.gz WMHDSRUEEYKFTH-ZBFHGGJFSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2nc(-c3ccccc3)no2)CCN1C ZINC000123410411 426431938 /nfs/dbraw/zinc/43/19/38/426431938.db2.gz WMHDSRUEEYKFTH-ZBFHGGJFSA-N 2 1 314.433 2.694 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccc(C)cc32)CC1 ZINC000154518715 426444365 /nfs/dbraw/zinc/44/43/65/426444365.db2.gz GHJPUMSQLXZPGR-FQEVSTJZSA-N 2 1 315.505 2.990 20 0 DFADMP C[C@@]1(C[N@@H+](CCCO)[C@@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700972 269001414 /nfs/dbraw/zinc/00/14/14/269001414.db2.gz KDRYUINXRNNZPK-RTBURBONSA-N 2 1 302.462 2.748 20 0 DFADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)C1CC1 ZINC000177209587 426453532 /nfs/dbraw/zinc/45/35/32/426453532.db2.gz RAQAOHCHDNQBQH-VQIMIIECSA-N 2 1 301.478 2.753 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)C2CC2)CC1 ZINC000177223771 426456958 /nfs/dbraw/zinc/45/69/58/426456958.db2.gz WKHDZJYSDKLPIU-MRXNPFEDSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000124155922 426472402 /nfs/dbraw/zinc/47/24/02/426472402.db2.gz JIHVUPYMPKDRIW-GOEBONIOSA-N 2 1 304.434 2.668 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000177387071 426475103 /nfs/dbraw/zinc/47/51/03/426475103.db2.gz VJZOYZRSJUJZOC-UHFFFAOYSA-N 2 1 304.434 2.826 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000124320385 426480206 /nfs/dbraw/zinc/48/02/06/426480206.db2.gz RBNOAUKHBIIZGL-HNNXBMFYSA-N 2 1 309.523 2.981 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1csc(-c2ccccn2)n1 ZINC000124434492 426483635 /nfs/dbraw/zinc/48/36/35/426483635.db2.gz UWFXDFXJNMGSDL-UHFFFAOYSA-N 2 1 313.430 2.924 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCCN(C(C)C)C2=O)CC1 ZINC000177721766 426510633 /nfs/dbraw/zinc/51/06/33/426510633.db2.gz ORZSMPVHWMJXRV-SFHVURJKSA-N 2 1 323.525 2.830 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)C12CCOCC2 ZINC000186430663 426525254 /nfs/dbraw/zinc/52/52/54/426525254.db2.gz KNEUOJWOSSZHGA-KURKYZTESA-N 2 1 324.509 2.671 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)C12CCOCC2 ZINC000186430663 426525258 /nfs/dbraw/zinc/52/52/58/426525258.db2.gz KNEUOJWOSSZHGA-KURKYZTESA-N 2 1 324.509 2.671 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000177936931 426542852 /nfs/dbraw/zinc/54/28/52/426542852.db2.gz YHJZYVFFDZJPND-ACWOFJMJSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000177936931 426542857 /nfs/dbraw/zinc/54/28/57/426542857.db2.gz YHJZYVFFDZJPND-ACWOFJMJSA-N 2 1 316.445 2.981 20 0 DFADMP c1cn(-c2cccc(-c3noc([C@@H]4CCC[N@H+]4C4CC4)n3)n2)cn1 ZINC000288903688 426549352 /nfs/dbraw/zinc/54/93/52/426549352.db2.gz BNQPOFARJPEGQR-AWEZNQCLSA-N 2 1 322.372 2.617 20 0 DFADMP c1cn(-c2cccc(-c3noc([C@@H]4CCC[N@@H+]4C4CC4)n3)n2)cn1 ZINC000288903688 426549357 /nfs/dbraw/zinc/54/93/57/426549357.db2.gz BNQPOFARJPEGQR-AWEZNQCLSA-N 2 1 322.372 2.617 20 0 DFADMP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272537097 426550535 /nfs/dbraw/zinc/55/05/35/426550535.db2.gz RKEXHCJGBHPZPY-MJGOQNOKSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272537097 426550538 /nfs/dbraw/zinc/55/05/38/426550538.db2.gz RKEXHCJGBHPZPY-MJGOQNOKSA-N 2 1 303.494 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195137433 426501892 /nfs/dbraw/zinc/50/18/92/426501892.db2.gz CZNOMDNXQHVUSZ-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195137433 426501894 /nfs/dbraw/zinc/50/18/94/426501894.db2.gz CZNOMDNXQHVUSZ-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195137433 426501900 /nfs/dbraw/zinc/50/19/00/426501900.db2.gz CZNOMDNXQHVUSZ-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195137433 426501903 /nfs/dbraw/zinc/50/19/03/426501903.db2.gz CZNOMDNXQHVUSZ-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195137433 426501906 /nfs/dbraw/zinc/50/19/06/426501906.db2.gz CZNOMDNXQHVUSZ-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195137433 426501907 /nfs/dbraw/zinc/50/19/07/426501907.db2.gz CZNOMDNXQHVUSZ-JYBIWHBTSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000195135943 426501941 /nfs/dbraw/zinc/50/19/41/426501941.db2.gz XQICSZKVXIJUAK-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000195135943 426501944 /nfs/dbraw/zinc/50/19/44/426501944.db2.gz XQICSZKVXIJUAK-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000195135943 426501947 /nfs/dbraw/zinc/50/19/47/426501947.db2.gz XQICSZKVXIJUAK-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP COCCC[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000178106051 426572126 /nfs/dbraw/zinc/57/21/26/426572126.db2.gz IANBJMBMCCGDCY-AWEZNQCLSA-N 2 1 323.481 2.908 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cn2c(cccc2C)n1 ZINC000178296415 426600300 /nfs/dbraw/zinc/60/03/00/426600300.db2.gz SEKDTUGXQIKLSS-KRWDZBQOSA-N 2 1 309.417 2.812 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn2c(cccc2C)n1 ZINC000178296415 426600303 /nfs/dbraw/zinc/60/03/03/426600303.db2.gz SEKDTUGXQIKLSS-KRWDZBQOSA-N 2 1 309.417 2.812 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)oc1C ZINC000178320527 426605993 /nfs/dbraw/zinc/60/59/93/426605993.db2.gz FVKYVMGMUWWEPU-CQSZACIVSA-N 2 1 317.389 2.544 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)oc1C ZINC000178320527 426605994 /nfs/dbraw/zinc/60/59/94/426605994.db2.gz FVKYVMGMUWWEPU-CQSZACIVSA-N 2 1 317.389 2.544 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000178333832 426607597 /nfs/dbraw/zinc/60/75/97/426607597.db2.gz GOEHFQDUMPBNPY-INIZCTEOSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1ccc(F)cc1 ZINC000178333832 426607603 /nfs/dbraw/zinc/60/76/03/426607603.db2.gz GOEHFQDUMPBNPY-INIZCTEOSA-N 2 1 303.381 2.874 20 0 DFADMP COc1ccnc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c1 ZINC000273210936 426616970 /nfs/dbraw/zinc/61/69/70/426616970.db2.gz BQDXNYFNTUTSOA-HUUCEWRRSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccnc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c1 ZINC000273210936 426616971 /nfs/dbraw/zinc/61/69/71/426616971.db2.gz BQDXNYFNTUTSOA-HUUCEWRRSA-N 2 1 303.450 2.833 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000272560676 426559064 /nfs/dbraw/zinc/55/90/64/426559064.db2.gz NRAGFUQEPSASNH-CVEARBPZSA-N 2 1 317.477 2.741 20 0 DFADMP CC[C@H](C)NC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000178388699 426620488 /nfs/dbraw/zinc/62/04/88/426620488.db2.gz UWTSXWOOSUHADI-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280392664 426564180 /nfs/dbraw/zinc/56/41/80/426564180.db2.gz KKKGHMINFLFANY-KDURUIRLSA-N 2 1 324.472 2.601 20 0 DFADMP Cc1nn(C)c(C)c1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280392664 426564184 /nfs/dbraw/zinc/56/41/84/426564184.db2.gz KKKGHMINFLFANY-KDURUIRLSA-N 2 1 324.472 2.601 20 0 DFADMP Cc1nn(C)c(C)c1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000280392664 426564188 /nfs/dbraw/zinc/56/41/88/426564188.db2.gz KKKGHMINFLFANY-KDURUIRLSA-N 2 1 324.472 2.601 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280392664 426564191 /nfs/dbraw/zinc/56/41/91/426564191.db2.gz KKKGHMINFLFANY-KDURUIRLSA-N 2 1 324.472 2.601 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000280392664 426564193 /nfs/dbraw/zinc/56/41/93/426564193.db2.gz KKKGHMINFLFANY-KDURUIRLSA-N 2 1 324.472 2.601 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(C(=O)Nc2ccccc2)CC1 ZINC000178442001 426631809 /nfs/dbraw/zinc/63/18/09/426631809.db2.gz PHTZFGQOZCURLR-SFHVURJKSA-N 2 1 315.461 2.821 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC000228474085 426633206 /nfs/dbraw/zinc/63/32/06/426633206.db2.gz KDPNETIEHZOITE-IACUBPJLSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3coc(-c4cccs4)n3)C[C@H]21 ZINC000228474085 426633210 /nfs/dbraw/zinc/63/32/10/426633210.db2.gz KDPNETIEHZOITE-IACUBPJLSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)cc4c3OCC4)C[C@@H]21 ZINC000230131197 426643794 /nfs/dbraw/zinc/64/37/94/426643794.db2.gz GIOJVVAMZRFQMB-UHOFOFEASA-N 2 1 306.837 2.834 20 0 DFADMP CN(CCC[N@H+](C)Cc1nc2ccccc2s1)CC[NH+](C)C ZINC000289433475 426656063 /nfs/dbraw/zinc/65/60/63/426656063.db2.gz NWBQNFUGLZYTNG-UHFFFAOYSA-N 2 1 320.506 2.612 20 0 DFADMP CN(CCC[N@@H+](C)Cc1nc2ccccc2s1)CC[NH+](C)C ZINC000289433475 426656066 /nfs/dbraw/zinc/65/60/66/426656066.db2.gz NWBQNFUGLZYTNG-UHFFFAOYSA-N 2 1 320.506 2.612 20 0 DFADMP Nc1cc(C[NH+]2CCN(c3cc[nH+]c4ccccc43)CC2)ccn1 ZINC000289433567 426657142 /nfs/dbraw/zinc/65/71/42/426657142.db2.gz VXHHSEKMLLGWOA-UHFFFAOYSA-N 2 1 319.412 2.534 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)OCCCO3)CC1 ZINC000236603801 426665294 /nfs/dbraw/zinc/66/52/94/426665294.db2.gz VUQFZKQBASXIMH-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000178634545 426666828 /nfs/dbraw/zinc/66/68/28/426666828.db2.gz PYJONMFCDLNGBD-YLJYHZDGSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000178634545 426666834 /nfs/dbraw/zinc/66/68/34/426666834.db2.gz PYJONMFCDLNGBD-YLJYHZDGSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)c(C)c1 ZINC000289482426 426667156 /nfs/dbraw/zinc/66/71/56/426667156.db2.gz YDPLYVPJYRGLON-AEFFLSMTSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)c(C)c1 ZINC000289482426 426667160 /nfs/dbraw/zinc/66/71/60/426667160.db2.gz YDPLYVPJYRGLON-AEFFLSMTSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c(C)c1 ZINC000289482426 426667162 /nfs/dbraw/zinc/66/71/62/426667162.db2.gz YDPLYVPJYRGLON-AEFFLSMTSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1ccc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c(C)c1 ZINC000289482426 426667168 /nfs/dbraw/zinc/66/71/68/426667168.db2.gz YDPLYVPJYRGLON-AEFFLSMTSA-N 2 1 302.462 2.548 20 0 DFADMP CC(C)c1ccc([C@@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178666881 426673632 /nfs/dbraw/zinc/67/36/32/426673632.db2.gz RGUJYNXWHLMNAA-MRXNPFEDSA-N 2 1 317.477 2.625 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000178701772 426679111 /nfs/dbraw/zinc/67/91/11/426679111.db2.gz CQKSGSZCMNRYOM-MAUKXSAKSA-N 2 1 301.434 2.675 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc2c(c1)OCO2 ZINC000178707152 426680257 /nfs/dbraw/zinc/68/02/57/426680257.db2.gz OLGQTGCMSYJKAH-STQMWFEESA-N 2 1 301.390 2.907 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000236729346 426681257 /nfs/dbraw/zinc/68/12/57/426681257.db2.gz ZDRYXNXTJVGFRN-HRCADAONSA-N 2 1 323.868 2.575 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000178707679 426681277 /nfs/dbraw/zinc/68/12/77/426681277.db2.gz XJRNSSUDUVSHNX-GJZGRUSLSA-N 2 1 324.432 2.759 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CCC1CC[NH2+]CC1 ZINC000236753433 426685440 /nfs/dbraw/zinc/68/54/40/426685440.db2.gz CSYJHVAASVVYFA-KRWDZBQOSA-N 2 1 309.498 2.537 20 0 DFADMP C[C@@H](NC[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000289303602 426622367 /nfs/dbraw/zinc/62/23/67/426622367.db2.gz CXNSPUPQBNPXMQ-MFKMUULPSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)CN(C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000289303602 426622372 /nfs/dbraw/zinc/62/23/72/426622372.db2.gz CXNSPUPQBNPXMQ-MFKMUULPSA-N 2 1 300.805 2.585 20 0 DFADMP CC[N@H+]1CCCN(c2cc[nH+]c3cc(F)c(OC)cc32)CC1 ZINC000280641119 426623215 /nfs/dbraw/zinc/62/32/15/426623215.db2.gz DKEWZJHONIQNEU-UHFFFAOYSA-N 2 1 303.381 2.915 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)C1CC1 ZINC000289323557 426627608 /nfs/dbraw/zinc/62/76/08/426627608.db2.gz GMMZDTXULLWIMI-ROUUACIJSA-N 2 1 306.425 2.712 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)C1CC1 ZINC000289323557 426627612 /nfs/dbraw/zinc/62/76/12/426627612.db2.gz GMMZDTXULLWIMI-ROUUACIJSA-N 2 1 306.425 2.712 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440956 426629432 /nfs/dbraw/zinc/62/94/32/426629432.db2.gz WOOJYUUHDRWBRY-FUHWJXTLSA-N 2 1 315.461 2.821 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440956 426629435 /nfs/dbraw/zinc/62/94/35/426629435.db2.gz WOOJYUUHDRWBRY-FUHWJXTLSA-N 2 1 315.461 2.821 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)Nc2ccccc2)C1 ZINC000178440956 426629439 /nfs/dbraw/zinc/62/94/39/426629439.db2.gz WOOJYUUHDRWBRY-FUHWJXTLSA-N 2 1 315.461 2.821 20 0 DFADMP [NH3+][C@H]1CCCCCC[C@H]1C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000178752138 426689020 /nfs/dbraw/zinc/68/90/20/426689020.db2.gz JQTCGJKSPRDWKG-MSOLQXFVSA-N 2 1 321.509 2.761 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)C2([NH3+])CCCC2)cc1 ZINC000178845760 426706699 /nfs/dbraw/zinc/70/66/99/426706699.db2.gz RPNMIZZUOKRGMK-ZDUSSCGKSA-N 2 1 312.417 2.629 20 0 DFADMP OC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000290162129 426707369 /nfs/dbraw/zinc/70/73/69/426707369.db2.gz MALZWGDPYNTZRP-HXUWFJFHSA-N 2 1 316.489 2.834 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@H](c1ncc[nH]1)c1ccc(F)cc1 ZINC000187933239 426707777 /nfs/dbraw/zinc/70/77/77/426707777.db2.gz LGQISRROBBHNMK-BBRMVZONSA-N 2 1 304.413 2.958 20 0 DFADMP C[C@@H](CCNC(=O)C1(C[NH3+])CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000178857595 426708265 /nfs/dbraw/zinc/70/82/65/426708265.db2.gz AUKNYKGVJBZVDY-INIZCTEOSA-N 2 1 317.477 2.532 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)c3nccnc3C)CC2)[nH+]1 ZINC000188029452 426715740 /nfs/dbraw/zinc/71/57/40/426715740.db2.gz WDXDBJKUXVTKBC-HNNXBMFYSA-N 2 1 311.433 2.808 20 0 DFADMP C[C@H]([NH2+]CCN1CC=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950695 426692858 /nfs/dbraw/zinc/69/28/58/426692858.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](NCC[N@H+]1CC=CCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280950695 426692860 /nfs/dbraw/zinc/69/28/60/426692860.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280950695 426692864 /nfs/dbraw/zinc/69/28/64/426692864.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](NCC[NH+]1CC=CCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950695 426692867 /nfs/dbraw/zinc/69/28/67/426692867.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](NCC[NH+]1CC=CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950695 426692870 /nfs/dbraw/zinc/69/28/70/426692870.db2.gz JRKXKTANFHKBBB-AZUAARDMSA-N 2 1 313.489 2.749 20 0 DFADMP Cc1cccc([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1C ZINC000290100444 426693939 /nfs/dbraw/zinc/69/39/39/426693939.db2.gz WSAGPXRPVUOPJH-IEBWSBKVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1C ZINC000290100444 426693943 /nfs/dbraw/zinc/69/39/43/426693943.db2.gz WSAGPXRPVUOPJH-IEBWSBKVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1C ZINC000290100444 426693948 /nfs/dbraw/zinc/69/39/48/426693948.db2.gz WSAGPXRPVUOPJH-IEBWSBKVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1C ZINC000290100444 426693953 /nfs/dbraw/zinc/69/39/53/426693953.db2.gz WSAGPXRPVUOPJH-IEBWSBKVSA-N 2 1 302.462 2.895 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000290145216 426702032 /nfs/dbraw/zinc/70/20/32/426702032.db2.gz KYBJVUJHGOXVDX-VKSUQKOCSA-N 2 1 302.462 2.910 20 0 DFADMP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245853439 426776234 /nfs/dbraw/zinc/77/62/34/426776234.db2.gz JRBWWXBUXVAICS-WBVHZDCISA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245853439 426776237 /nfs/dbraw/zinc/77/62/37/426776237.db2.gz JRBWWXBUXVAICS-WBVHZDCISA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245853439 426776241 /nfs/dbraw/zinc/77/62/41/426776241.db2.gz JRBWWXBUXVAICS-WBVHZDCISA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[NH+](C)CC(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245853439 426776243 /nfs/dbraw/zinc/77/62/43/426776243.db2.gz JRBWWXBUXVAICS-WBVHZDCISA-N 2 1 323.868 2.542 20 0 DFADMP COc1ccccc1-n1nccc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000281595857 426726455 /nfs/dbraw/zinc/72/64/55/426726455.db2.gz JRKOJRVWZIDROR-UHFFFAOYSA-N 2 1 316.449 2.701 20 0 DFADMP COc1ccccc1-n1nccc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000281595857 426726457 /nfs/dbraw/zinc/72/64/57/426726457.db2.gz JRKOJRVWZIDROR-UHFFFAOYSA-N 2 1 316.449 2.701 20 0 DFADMP c1cc2c(c([C@@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)c1)OCCO2 ZINC000178971627 426727037 /nfs/dbraw/zinc/72/70/37/426727037.db2.gz HIAPTLLWZGAIOP-INIZCTEOSA-N 2 1 302.418 2.594 20 0 DFADMP CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188232427 426734797 /nfs/dbraw/zinc/73/47/97/426734797.db2.gz GOASYOYVCZUOQJ-LRDDRELGSA-N 2 1 305.447 2.555 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274346141 426749373 /nfs/dbraw/zinc/74/93/73/426749373.db2.gz JNHPZIRRQZSGQC-FXAWDEMLSA-N 2 1 313.489 2.749 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290363449 426749607 /nfs/dbraw/zinc/74/96/07/426749607.db2.gz GYQPBJLKAFRLQI-LJQANCHMSA-N 3 1 301.478 2.986 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245977630 426789015 /nfs/dbraw/zinc/78/90/15/426789015.db2.gz OXXZDTVCHACCGS-DDWPSWQVSA-N 2 1 323.868 2.575 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245977630 426789021 /nfs/dbraw/zinc/78/90/21/426789021.db2.gz OXXZDTVCHACCGS-DDWPSWQVSA-N 2 1 323.868 2.575 20 0 DFADMP COc1ccc(C[C@@H](C)C[NH2+]CC2=CC[N@@H+](C)CC2)cc1F ZINC000274411391 426763723 /nfs/dbraw/zinc/76/37/23/426763723.db2.gz JBJLBHDJXOMWRH-CQSZACIVSA-N 2 1 306.425 2.864 20 0 DFADMP Cc1ncsc1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179183039 426764380 /nfs/dbraw/zinc/76/43/80/426764380.db2.gz OMENHNSESDFHCT-GDBMZVCRSA-N 2 1 305.491 2.943 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)oc1C ZINC000290590751 426799372 /nfs/dbraw/zinc/79/93/72/426799372.db2.gz VFDJXVKTRNWOFM-HNNXBMFYSA-N 2 1 320.433 2.538 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)C[C@@H]([NH3+])c2ccccc2)C1 ZINC000246222232 426810149 /nfs/dbraw/zinc/81/01/49/426810149.db2.gz BMLSHGRBQOFJJN-SOLBZPMBSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+] ZINC000246240496 426813153 /nfs/dbraw/zinc/81/31/53/426813153.db2.gz IUHAUMOJDMYVJW-YYIAUSFCSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)CC[N@H+]1C ZINC000246266502 426815034 /nfs/dbraw/zinc/81/50/34/426815034.db2.gz AFKIHRLDPSCWNF-BPQIPLTHSA-N 2 1 304.478 2.861 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282046551 426819437 /nfs/dbraw/zinc/81/94/37/426819437.db2.gz AWCAJFJHUJGHCP-OAHLLOKOSA-N 2 1 323.912 2.887 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)[C@@H](C)C1 ZINC000246373504 426826789 /nfs/dbraw/zinc/82/67/89/426826789.db2.gz JMQOTWCQEZLPGE-GOEBONIOSA-N 2 1 314.433 2.599 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274741716 426827278 /nfs/dbraw/zinc/82/72/78/426827278.db2.gz FLPRWZIQFOLXCC-YQGXSICGSA-N 2 1 302.462 2.814 20 0 DFADMP C[N@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180115211 426835771 /nfs/dbraw/zinc/83/57/71/426835771.db2.gz QGKRXWPERKMZBT-NXEWRWPSSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180115211 426835773 /nfs/dbraw/zinc/83/57/73/426835773.db2.gz QGKRXWPERKMZBT-NXEWRWPSSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180115211 426835778 /nfs/dbraw/zinc/83/57/78/426835778.db2.gz QGKRXWPERKMZBT-NXEWRWPSSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180115211 426835784 /nfs/dbraw/zinc/83/57/84/426835784.db2.gz QGKRXWPERKMZBT-NXEWRWPSSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180115211 426835788 /nfs/dbraw/zinc/83/57/88/426835788.db2.gz QGKRXWPERKMZBT-NXEWRWPSSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]C2)cc1 ZINC000246542550 426842962 /nfs/dbraw/zinc/84/29/62/426842962.db2.gz SMPOSSKKDUSWPX-WBVHZDCISA-N 2 1 315.461 2.999 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000246538715 426843297 /nfs/dbraw/zinc/84/32/97/426843297.db2.gz SIOOCALZYRIRRB-HZPDHXFCSA-N 2 1 317.477 2.533 20 0 DFADMP Nc1ncccc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295166396 426847405 /nfs/dbraw/zinc/84/74/05/426847405.db2.gz HSCRHZKBDPSMFJ-FQEVSTJZSA-N 2 1 322.456 2.762 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc(Cl)c(F)c2)CC1(C)C ZINC000282218079 426856070 /nfs/dbraw/zinc/85/60/70/426856070.db2.gz DTIVABRBJZFZRS-UHFFFAOYSA-N 2 1 313.848 2.595 20 0 DFADMP C[C@H](NCC(C)(C)[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274888849 426856585 /nfs/dbraw/zinc/85/65/85/426856585.db2.gz JAMFBFSMAYBCDZ-WMZOPIPTSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)N(C)C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274888849 426856589 /nfs/dbraw/zinc/85/65/89/426856589.db2.gz JAMFBFSMAYBCDZ-WMZOPIPTSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)N(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274888849 426856593 /nfs/dbraw/zinc/85/65/93/426856593.db2.gz JAMFBFSMAYBCDZ-WMZOPIPTSA-N 2 1 303.494 2.827 20 0 DFADMP O[C@H](C[NH+]1CCC[C@H]2CCC[C@@H]21)C[N@H+]1CCC[C@@H]2CCC[C@@H]21 ZINC000246016543 426791744 /nfs/dbraw/zinc/79/17/44/426791744.db2.gz UKVPWJUNWRTQRK-PJVZLEMVSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000246016543 426791748 /nfs/dbraw/zinc/79/17/48/426791748.db2.gz UKVPWJUNWRTQRK-PJVZLEMVSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@@H]2CCC[C@@H]21)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000246016543 426791753 /nfs/dbraw/zinc/79/17/53/426791753.db2.gz UKVPWJUNWRTQRK-PJVZLEMVSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nc(-c2ccccc2)no1 ZINC000179478750 426793367 /nfs/dbraw/zinc/79/33/67/426793367.db2.gz ODYGXZAEVYLAML-IIAWOOMASA-N 2 1 314.433 2.912 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H](C)C1 ZINC000247224827 426918468 /nfs/dbraw/zinc/91/84/68/426918468.db2.gz XWVLVHQHKVBVLR-QFBILLFUSA-N 2 1 312.461 2.735 20 0 DFADMP Cc1nocc1C[N@@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000295345763 426919330 /nfs/dbraw/zinc/91/93/30/426919330.db2.gz MXMXKKGNTKHVNR-UHFFFAOYSA-N 2 1 314.433 2.517 20 0 DFADMP Cc1nocc1C[N@H+](C)C1CCN(CCc2ccccn2)CC1 ZINC000295345763 426919338 /nfs/dbraw/zinc/91/93/38/426919338.db2.gz MXMXKKGNTKHVNR-UHFFFAOYSA-N 2 1 314.433 2.517 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000246731283 426859979 /nfs/dbraw/zinc/85/99/79/426859979.db2.gz YIJLPRNYAFTYRX-BDXSIMOUSA-N 2 1 321.509 2.678 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cccc3ccccc32)CC1(C)C ZINC000282235677 426860249 /nfs/dbraw/zinc/86/02/49/426860249.db2.gz FUBWQGFJLVKYPM-UHFFFAOYSA-N 2 1 311.473 2.955 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCn3ccnc32)CC[N@H+]1Cc1ccccc1 ZINC000295201748 426860398 /nfs/dbraw/zinc/86/03/98/426860398.db2.gz YVDBWULIRDIQLC-NXHRZFHOSA-N 2 1 310.445 2.971 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCn3ccnc32)CC[N@H+]1Cc1ccccc1 ZINC000295201746 426861747 /nfs/dbraw/zinc/86/17/47/426861747.db2.gz YVDBWULIRDIQLC-KBAYOESNSA-N 2 1 310.445 2.971 20 0 DFADMP CC(C)(C[N@H+]1CC[C@@H](CN2CCOCC2)C1)c1ccccc1 ZINC000180453326 426862596 /nfs/dbraw/zinc/86/25/96/426862596.db2.gz FRIKSJUQGMSZFZ-KRWDZBQOSA-N 2 1 302.462 2.618 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000268144577 426924849 /nfs/dbraw/zinc/92/48/49/426924849.db2.gz QLTQTCSACDEBNZ-ZIAGYGMSSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000268144577 426924856 /nfs/dbraw/zinc/92/48/56/426924856.db2.gz QLTQTCSACDEBNZ-ZIAGYGMSSA-N 2 1 323.506 2.660 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@@H](C)C1 ZINC000246835371 426869506 /nfs/dbraw/zinc/86/95/06/426869506.db2.gz BHTGLRTYQIMCIF-WMZOPIPTSA-N 2 1 320.477 2.840 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@@H](C)C1 ZINC000246835371 426869509 /nfs/dbraw/zinc/86/95/09/426869509.db2.gz BHTGLRTYQIMCIF-WMZOPIPTSA-N 2 1 320.477 2.840 20 0 DFADMP FC(F)Oc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275550638 426869729 /nfs/dbraw/zinc/86/97/29/426869729.db2.gz NIYYLJVVDPWZNG-ZDUSSCGKSA-N 2 1 307.344 2.837 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000246864815 426875634 /nfs/dbraw/zinc/87/56/34/426875634.db2.gz CQXJHWSMZOMVMV-VWPFQQQWSA-N 2 1 323.431 2.862 20 0 DFADMP Brc1ccccc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000275639739 426884230 /nfs/dbraw/zinc/88/42/30/426884230.db2.gz SXURMXQFDJHUAP-GFCCVEGCSA-N 2 1 320.234 2.998 20 0 DFADMP C[N@@H+]1CCC[C@H]2CN(Cc3cnc(-c4ccccc4)[nH]3)CC[C@@H]21 ZINC000180732969 426885053 /nfs/dbraw/zinc/88/50/53/426885053.db2.gz WUKKGWZCNZEEOQ-WMZOPIPTSA-N 2 1 310.445 2.993 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(Cc3cnc(-c4ccccc4)[nH]3)CC[C@@H]21 ZINC000180732969 426885058 /nfs/dbraw/zinc/88/50/58/426885058.db2.gz WUKKGWZCNZEEOQ-WMZOPIPTSA-N 2 1 310.445 2.993 20 0 DFADMP CCOCc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC ZINC000275652442 426886577 /nfs/dbraw/zinc/88/65/77/426886577.db2.gz KRBAXYZRQKCINU-INIZCTEOSA-N 2 1 306.450 2.615 20 0 DFADMP CCOCc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC ZINC000275652442 426886584 /nfs/dbraw/zinc/88/65/84/426886584.db2.gz KRBAXYZRQKCINU-INIZCTEOSA-N 2 1 306.450 2.615 20 0 DFADMP CCOCc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)ccc1OC ZINC000275652442 426886589 /nfs/dbraw/zinc/88/65/89/426886589.db2.gz KRBAXYZRQKCINU-INIZCTEOSA-N 2 1 306.450 2.615 20 0 DFADMP CCOCc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)ccc1OC ZINC000275652442 426886597 /nfs/dbraw/zinc/88/65/97/426886597.db2.gz KRBAXYZRQKCINU-INIZCTEOSA-N 2 1 306.450 2.615 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1sccc1CN(C)C ZINC000268042586 426897974 /nfs/dbraw/zinc/89/79/74/426897974.db2.gz QMRVSRXRKDCGEF-UONOGXRCSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)c1sccc1C[NH+](C)C ZINC000268042586 426897983 /nfs/dbraw/zinc/89/79/83/426897983.db2.gz QMRVSRXRKDCGEF-UONOGXRCSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1sccc1CN(C)C ZINC000268042588 426898865 /nfs/dbraw/zinc/89/88/65/426898865.db2.gz QMRVSRXRKDCGEF-ZIAGYGMSSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1sccc1C[NH+](C)C ZINC000268042588 426898875 /nfs/dbraw/zinc/89/88/75/426898875.db2.gz QMRVSRXRKDCGEF-ZIAGYGMSSA-N 2 1 323.506 2.660 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1 ZINC000247118892 426905227 /nfs/dbraw/zinc/90/52/27/426905227.db2.gz RQAXYAMXHZWCOK-PBHICJAKSA-N 2 1 312.417 2.683 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1 ZINC000247118892 426905235 /nfs/dbraw/zinc/90/52/35/426905235.db2.gz RQAXYAMXHZWCOK-PBHICJAKSA-N 2 1 312.417 2.683 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2C[C@@H](C)[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000247139839 426906568 /nfs/dbraw/zinc/90/65/68/426906568.db2.gz QTIYVGYNRMSCCF-JOMPHRNESA-N 2 1 315.505 2.968 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000247139839 426906575 /nfs/dbraw/zinc/90/65/75/426906575.db2.gz QTIYVGYNRMSCCF-JOMPHRNESA-N 2 1 315.505 2.968 20 0 DFADMP C[C@H]1C[C@H](N[C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000247139839 426906582 /nfs/dbraw/zinc/90/65/82/426906582.db2.gz QTIYVGYNRMSCCF-JOMPHRNESA-N 2 1 315.505 2.968 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139839 426906592 /nfs/dbraw/zinc/90/65/92/426906592.db2.gz QTIYVGYNRMSCCF-JOMPHRNESA-N 2 1 315.505 2.968 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CN1Cc1ccccc1 ZINC000247139839 426906600 /nfs/dbraw/zinc/90/66/00/426906600.db2.gz QTIYVGYNRMSCCF-JOMPHRNESA-N 2 1 315.505 2.968 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000282415068 426906664 /nfs/dbraw/zinc/90/66/64/426906664.db2.gz SIEFTEPXXFIQCR-GOSISDBHSA-N 2 1 301.478 2.598 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1 ZINC000305272966 426907100 /nfs/dbraw/zinc/90/71/00/426907100.db2.gz AJSFBQOEFUODLU-NQYYFHDYSA-N 2 1 302.462 2.758 20 0 DFADMP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000247514081 426945859 /nfs/dbraw/zinc/94/58/59/426945859.db2.gz MTMWAISLOIKULS-YJBOKZPZSA-N 2 1 306.425 2.667 20 0 DFADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000247514081 426945862 /nfs/dbraw/zinc/94/58/62/426945862.db2.gz MTMWAISLOIKULS-YJBOKZPZSA-N 2 1 306.425 2.667 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OC)c(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000316889352 426950848 /nfs/dbraw/zinc/95/08/48/426950848.db2.gz SBSRMLYPBRUWNL-OLZOCXBDSA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)CC[C@@H]1[NH3+] ZINC000316889352 426950858 /nfs/dbraw/zinc/95/08/58/426950858.db2.gz SBSRMLYPBRUWNL-OLZOCXBDSA-N 2 1 314.376 2.856 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268224065 426955728 /nfs/dbraw/zinc/95/57/28/426955728.db2.gz PBWSSTYEPACNQO-CQSZACIVSA-N 2 1 323.506 2.517 20 0 DFADMP CC[C@@](C)(C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1)OC ZINC000319605101 426964958 /nfs/dbraw/zinc/96/49/58/426964958.db2.gz JYRDGVKIZNQKQY-MOPGFXCFSA-N 2 1 320.477 2.682 20 0 DFADMP CC[C@@](C)(C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1)OC ZINC000319605101 426964965 /nfs/dbraw/zinc/96/49/65/426964965.db2.gz JYRDGVKIZNQKQY-MOPGFXCFSA-N 2 1 320.477 2.682 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[N@@H+]1C ZINC000337839157 426994880 /nfs/dbraw/zinc/99/48/80/426994880.db2.gz YPRBVLPAGIHNOQ-OCCSQVGLSA-N 2 1 304.463 2.721 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[N@H+]1C ZINC000337839157 426994889 /nfs/dbraw/zinc/99/48/89/426994889.db2.gz YPRBVLPAGIHNOQ-OCCSQVGLSA-N 2 1 304.463 2.721 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(C)=O)[C@@H](C)C1 ZINC000247327058 426927355 /nfs/dbraw/zinc/92/73/55/426927355.db2.gz YFUNPDKCKHOCAW-YJBOKZPZSA-N 2 1 318.461 2.930 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(C)=O)[C@@H](C)C1 ZINC000247327058 426927360 /nfs/dbraw/zinc/92/73/60/426927360.db2.gz YFUNPDKCKHOCAW-YJBOKZPZSA-N 2 1 318.461 2.930 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(C)=O)[C@@H](C)C1 ZINC000247327058 426927365 /nfs/dbraw/zinc/92/73/65/426927365.db2.gz YFUNPDKCKHOCAW-YJBOKZPZSA-N 2 1 318.461 2.930 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(C)=O)[C@@H](C)C1 ZINC000247327058 426927374 /nfs/dbraw/zinc/92/73/74/426927374.db2.gz YFUNPDKCKHOCAW-YJBOKZPZSA-N 2 1 318.461 2.930 20 0 DFADMP C[C@H](CC[NH2+]CCCc1cnn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000314451061 426929362 /nfs/dbraw/zinc/92/93/62/426929362.db2.gz GEPYDLIDUFIIGB-QGZVFWFLSA-N 2 1 314.477 2.853 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000314692125 426931318 /nfs/dbraw/zinc/93/13/18/426931318.db2.gz IOZAZAIIFWGMOD-HZPDHXFCSA-N 2 1 303.450 2.671 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1sccc1C[NH+](C)C ZINC000268183744 426942264 /nfs/dbraw/zinc/94/22/64/426942264.db2.gz WOYWSSYAZUCHFS-OAHLLOKOSA-N 2 1 323.506 2.756 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000181947660 427000018 /nfs/dbraw/zinc/00/00/18/427000018.db2.gz NWFGGHHXUNLPBK-IRXDYDNUSA-N 2 1 324.509 2.815 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@@H]21 ZINC000182028189 427010250 /nfs/dbraw/zinc/01/02/50/427010250.db2.gz ACUPIHGVBNNMEG-CVEARBPZSA-N 2 1 310.482 2.915 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)CCN1C ZINC000190052909 427010643 /nfs/dbraw/zinc/01/06/43/427010643.db2.gz MQJAXCCQFSPXAL-YJBOKZPZSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000190052909 427010649 /nfs/dbraw/zinc/01/06/49/427010649.db2.gz MQJAXCCQFSPXAL-YJBOKZPZSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000190052909 427010655 /nfs/dbraw/zinc/01/06/55/427010655.db2.gz MQJAXCCQFSPXAL-YJBOKZPZSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)CC[NH+]1C ZINC000190052909 427010658 /nfs/dbraw/zinc/01/06/58/427010658.db2.gz MQJAXCCQFSPXAL-YJBOKZPZSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)CC[NH+]1C ZINC000190052909 427010664 /nfs/dbraw/zinc/01/06/64/427010664.db2.gz MQJAXCCQFSPXAL-YJBOKZPZSA-N 2 1 302.462 2.969 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248583490 427017131 /nfs/dbraw/zinc/01/71/31/427017131.db2.gz PGWKFHQPOQYTAF-IKGGRYGDSA-N 2 1 323.525 2.924 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248583490 427017138 /nfs/dbraw/zinc/01/71/38/427017138.db2.gz PGWKFHQPOQYTAF-IKGGRYGDSA-N 2 1 323.525 2.924 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCC(C)(C)O ZINC000276284868 427026957 /nfs/dbraw/zinc/02/69/57/427026957.db2.gz UQKCTVRZGBXIFN-VQFNDLOPSA-N 2 1 304.478 2.894 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H]1Cn1ccnc1C ZINC000182216422 427029115 /nfs/dbraw/zinc/02/91/15/427029115.db2.gz UCBXKQOQFJXCIX-HZPDHXFCSA-N 2 1 307.438 2.634 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000182216422 427029128 /nfs/dbraw/zinc/02/91/28/427029128.db2.gz UCBXKQOQFJXCIX-HZPDHXFCSA-N 2 1 307.438 2.634 20 0 DFADMP Cc1cnn(C)c1CNCc1c(Cl)cccc1-n1ccnc1 ZINC000295960902 427030158 /nfs/dbraw/zinc/03/01/58/427030158.db2.gz HVNPSBWGFCHLPZ-UHFFFAOYSA-N 2 1 315.808 2.857 20 0 DFADMP CC[C@@H]1CN(c2cc[nH+]c3ccc(C)cc32)CC[N@H+]1C[C@H](C)O ZINC000248708253 427034248 /nfs/dbraw/zinc/03/42/48/427034248.db2.gz BCQILKNKXMDCTI-JKSUJKDBSA-N 2 1 313.445 2.825 20 0 DFADMP OC(C[NH+]1CCC[C@H]1C1CCC1)C[N@H+]1CCC[C@H]1C1CCC1 ZINC000248727601 427034278 /nfs/dbraw/zinc/03/42/78/427034278.db2.gz IYQQASCIZYTHMT-OALUTQOASA-N 2 1 306.494 2.876 20 0 DFADMP C[C@H](C1CC1)[NH+](CC(O)C[N@H+]([C@H](C)C1CC1)C1CC1)C1CC1 ZINC000248734869 427037266 /nfs/dbraw/zinc/03/72/66/427037266.db2.gz MRDGBIXUBYADJC-ZIAGYGMSSA-N 2 1 306.494 2.873 20 0 DFADMP C[C@@H]1C[N@H+](CC2CCN(Cc3ccc(F)cn3)CC2)C[C@H](C)O1 ZINC000276393798 427054555 /nfs/dbraw/zinc/05/45/55/427054555.db2.gz SGVQKJCDSXHZKV-GASCZTMLSA-N 2 1 321.440 2.542 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)cn3)CC2)C[C@H](C)O1 ZINC000276393798 427054566 /nfs/dbraw/zinc/05/45/66/427054566.db2.gz SGVQKJCDSXHZKV-GASCZTMLSA-N 2 1 321.440 2.542 20 0 DFADMP C[N@H+](Cc1ccsc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190317999 427072683 /nfs/dbraw/zinc/07/26/83/427072683.db2.gz ZQPOGKBZOJCMPI-SFHVURJKSA-N 2 1 316.470 2.817 20 0 DFADMP C[N@@H+](Cc1ccsc1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000190317999 427072687 /nfs/dbraw/zinc/07/26/87/427072687.db2.gz ZQPOGKBZOJCMPI-SFHVURJKSA-N 2 1 316.470 2.817 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](O)CCc2ccccc2)C1 ZINC000182437169 427075462 /nfs/dbraw/zinc/07/54/62/427075462.db2.gz YDFGPSOEFIFEMV-RTBURBONSA-N 2 1 304.478 2.644 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182437169 427075468 /nfs/dbraw/zinc/07/54/68/427075468.db2.gz YDFGPSOEFIFEMV-RTBURBONSA-N 2 1 304.478 2.644 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182437169 427075476 /nfs/dbraw/zinc/07/54/76/427075476.db2.gz YDFGPSOEFIFEMV-RTBURBONSA-N 2 1 304.478 2.644 20 0 DFADMP Cc1nccn1CCC[N@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296118934 427081649 /nfs/dbraw/zinc/08/16/49/427081649.db2.gz FKPMIMIVCCYJEU-MRXNPFEDSA-N 2 1 307.825 2.900 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](CO)c1ccc(Cl)cc1 ZINC000296118934 427081656 /nfs/dbraw/zinc/08/16/56/427081656.db2.gz FKPMIMIVCCYJEU-MRXNPFEDSA-N 2 1 307.825 2.900 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000249083137 427085590 /nfs/dbraw/zinc/08/55/90/427085590.db2.gz AUSHVGANJJFQNA-GJZGRUSLSA-N 2 1 321.431 2.725 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1nnn(-c2ccccc2)c1C ZINC000338017963 427094748 /nfs/dbraw/zinc/09/47/48/427094748.db2.gz GTISOUQTTNOSEC-AWEZNQCLSA-N 2 1 324.432 2.822 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000182555339 427099650 /nfs/dbraw/zinc/09/96/50/427099650.db2.gz BWKPMHJFBOKOKT-SFHVURJKSA-N 2 1 301.434 2.507 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@@H](O)CCc1ccccc1 ZINC000182555339 427099657 /nfs/dbraw/zinc/09/96/57/427099657.db2.gz BWKPMHJFBOKOKT-SFHVURJKSA-N 2 1 301.434 2.507 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000249277184 427100418 /nfs/dbraw/zinc/10/04/18/427100418.db2.gz DMEQJDDXWOIUEM-SOLBZPMBSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@@H]3CCCC[C@@H]32)CC1 ZINC000249297991 427104617 /nfs/dbraw/zinc/10/46/17/427104617.db2.gz RMSOVXWODOKRKQ-QYZOEREBSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000268734645 427106812 /nfs/dbraw/zinc/10/68/12/427106812.db2.gz DBITURAZUVMRTR-IEBWSBKVSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000268734645 427106819 /nfs/dbraw/zinc/10/68/19/427106819.db2.gz DBITURAZUVMRTR-IEBWSBKVSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000268734647 427107464 /nfs/dbraw/zinc/10/74/64/427107464.db2.gz DBITURAZUVMRTR-MJGOQNOKSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCn1cccn1 ZINC000268734647 427107471 /nfs/dbraw/zinc/10/74/71/427107471.db2.gz DBITURAZUVMRTR-MJGOQNOKSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000268765807 427108903 /nfs/dbraw/zinc/10/89/03/427108903.db2.gz JCQFWHBJUZPDNR-XKQJLSEDSA-N 2 1 313.445 2.849 20 0 DFADMP CC[C@@H]1[C@H](C)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249396740 427112060 /nfs/dbraw/zinc/11/20/60/427112060.db2.gz BCFAUGFMCGJSPX-KBAYOESNSA-N 2 1 317.477 2.526 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](Cc2cccnc2)C1 ZINC000190457376 427114000 /nfs/dbraw/zinc/11/40/00/427114000.db2.gz JBBMLQWKIRGCDO-MRXNPFEDSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(Cc2cccnc2)C1 ZINC000190457376 427114007 /nfs/dbraw/zinc/11/40/07/427114007.db2.gz JBBMLQWKIRGCDO-MRXNPFEDSA-N 2 1 316.474 2.800 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000268790972 427114145 /nfs/dbraw/zinc/11/41/45/427114145.db2.gz CZPNLEROKAVXGQ-JKSUJKDBSA-N 2 1 308.466 2.745 20 0 DFADMP CCOCCN(CC)C[C@@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284004930 427115317 /nfs/dbraw/zinc/11/53/17/427115317.db2.gz GWOBHAKRSLAXTI-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP CCOCCN(CC)C[C@@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284004930 427115326 /nfs/dbraw/zinc/11/53/26/427115326.db2.gz GWOBHAKRSLAXTI-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796224 427118478 /nfs/dbraw/zinc/11/84/78/427118478.db2.gz WRUVVKHWOHSHKT-QGTPRVQTSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796224 427118484 /nfs/dbraw/zinc/11/84/84/427118484.db2.gz WRUVVKHWOHSHKT-QGTPRVQTSA-N 2 1 311.433 2.545 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[C@@H](C)n2ccnc21 ZINC000296272857 427131520 /nfs/dbraw/zinc/13/15/20/427131520.db2.gz CFJRIPSOAIGHBN-IUODEOHRSA-N 2 1 313.405 2.541 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000269237016 427151831 /nfs/dbraw/zinc/15/18/31/427151831.db2.gz NKZGIWHXJWDMQS-MAUKXSAKSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[C@@H]([NH3+])c1ccccc1 ZINC000165005788 271094525 /nfs/dbraw/zinc/09/45/25/271094525.db2.gz URWPHYXLILXWHM-MAUKXSAKSA-N 2 1 317.477 2.703 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338167287 427166469 /nfs/dbraw/zinc/16/64/69/427166469.db2.gz VUEKCFXELXKCMG-GOSISDBHSA-N 2 1 307.401 2.555 20 0 DFADMP C[C@@H]([NH2+]CC1(C)OCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277335383 427168154 /nfs/dbraw/zinc/16/81/54/427168154.db2.gz UPKGTVSJFMWRPJ-AEFFLSMTSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1-n1ccnn1 ZINC000296404668 427171275 /nfs/dbraw/zinc/17/12/75/427171275.db2.gz KRRPPLXUSLXOTC-HNSVSWJLSA-N 2 1 311.433 2.543 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000284287176 427174544 /nfs/dbraw/zinc/17/45/44/427174544.db2.gz HXMMEVHNVMCZBA-LNLFQRSKSA-N 2 1 318.461 2.989 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000284287176 427174548 /nfs/dbraw/zinc/17/45/48/427174548.db2.gz HXMMEVHNVMCZBA-LNLFQRSKSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000296464539 427190147 /nfs/dbraw/zinc/19/01/47/427190147.db2.gz NMONENNVOMMWBH-ZHALLVOQSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000296464539 427190154 /nfs/dbraw/zinc/19/01/54/427190154.db2.gz NMONENNVOMMWBH-ZHALLVOQSA-N 2 1 304.478 2.895 20 0 DFADMP OC1(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000284361202 427190623 /nfs/dbraw/zinc/19/06/23/427190623.db2.gz NAMMMLKBCDAENR-GBESFXJTSA-N 2 1 314.473 2.792 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292928812 427207306 /nfs/dbraw/zinc/20/73/06/427207306.db2.gz IVHNCAXSNFJHNO-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292928812 427207314 /nfs/dbraw/zinc/20/73/14/427207314.db2.gz IVHNCAXSNFJHNO-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292928812 427207318 /nfs/dbraw/zinc/20/73/18/427207318.db2.gz IVHNCAXSNFJHNO-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@H](O)COC(C)C)cc1 ZINC000183157189 427213299 /nfs/dbraw/zinc/21/32/99/427213299.db2.gz HJMMLXNYFYBMBM-KBXCAEBGSA-N 2 1 317.433 2.617 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000285604259 427285103 /nfs/dbraw/zinc/28/51/03/427285103.db2.gz JWPWRSRXZARJGQ-CQSZACIVSA-N 2 1 317.433 2.544 20 0 DFADMP CCn1ccnc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296554417 427222633 /nfs/dbraw/zinc/22/26/33/427222633.db2.gz RSFMFERTIPYABK-HNNXBMFYSA-N 2 1 316.449 2.694 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCCO[C@H]2CCCCO2)C1 ZINC000338318744 427255550 /nfs/dbraw/zinc/25/55/50/427255550.db2.gz RIDGJHWSNVNZTE-MSOLQXFVSA-N 2 1 310.482 2.583 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338318744 427255558 /nfs/dbraw/zinc/25/55/58/427255558.db2.gz RIDGJHWSNVNZTE-MSOLQXFVSA-N 2 1 310.482 2.583 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCCO[C@H]2CCCCO2)C1 ZINC000338318744 427255560 /nfs/dbraw/zinc/25/55/60/427255560.db2.gz RIDGJHWSNVNZTE-MSOLQXFVSA-N 2 1 310.482 2.583 20 0 DFADMP C(CO[C@@H]1CCCCO1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000338314193 427255938 /nfs/dbraw/zinc/25/59/38/427255938.db2.gz IKUZNTIVMNGUTF-QZTJIDSGSA-N 2 1 310.482 2.728 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](Nc3cc(N4CCCC4)ncn3)C2)cc1 ZINC000277616548 427261609 /nfs/dbraw/zinc/26/16/09/427261609.db2.gz BJWSLLYQAPQVRF-QGZVFWFLSA-N 2 1 323.444 2.763 20 0 DFADMP CN(C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277656585 427274239 /nfs/dbraw/zinc/27/42/39/427274239.db2.gz ZMEVLPODHMXAPL-HNNXBMFYSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000277656585 427274250 /nfs/dbraw/zinc/27/42/50/427274250.db2.gz ZMEVLPODHMXAPL-HNNXBMFYSA-N 2 1 321.490 2.556 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)s2)CCCO1 ZINC000277675376 427282971 /nfs/dbraw/zinc/28/29/71/427282971.db2.gz GKBVPYWGIYBKHT-GFCCVEGCSA-N 2 1 302.871 2.992 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)s2)CCCO1 ZINC000277675376 427282977 /nfs/dbraw/zinc/28/29/77/427282977.db2.gz GKBVPYWGIYBKHT-GFCCVEGCSA-N 2 1 302.871 2.992 20 0 DFADMP COc1cc2c(cc1Cl)C[N@@H+](CCCn1ccnc1)CC2 ZINC000293312086 427283337 /nfs/dbraw/zinc/28/33/37/427283337.db2.gz XCCBVEULVFAJIG-UHFFFAOYSA-N 2 1 305.809 2.994 20 0 DFADMP COc1cc2c(cc1Cl)CN(CCCn1ccnc1)CC2 ZINC000293312086 427283341 /nfs/dbraw/zinc/28/33/41/427283341.db2.gz XCCBVEULVFAJIG-UHFFFAOYSA-N 2 1 305.809 2.994 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)cn1 ZINC000191287533 427308047 /nfs/dbraw/zinc/30/80/47/427308047.db2.gz ABXIXHOSQLAPCQ-IRXDYDNUSA-N 2 1 304.482 2.889 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H]2CCOC2=O)cc1 ZINC000183686987 427318460 /nfs/dbraw/zinc/31/84/60/427318460.db2.gz HROSSZGZIWMWHT-CZUORRHYSA-N 2 1 313.401 2.785 20 0 DFADMP CC[C@@H](C)NC(=O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183681636 427319942 /nfs/dbraw/zinc/31/99/42/427319942.db2.gz OFDYJXACBMIOOJ-KGLIPLIRSA-N 2 1 314.433 2.746 20 0 DFADMP c1cn(CCC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285747185 427326766 /nfs/dbraw/zinc/32/67/66/427326766.db2.gz YMZQJBCYDZEOIY-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP c1cn(CCC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285747185 427326773 /nfs/dbraw/zinc/32/67/73/427326773.db2.gz YMZQJBCYDZEOIY-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP c1cn(CCC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285747185 427326775 /nfs/dbraw/zinc/32/67/75/427326775.db2.gz YMZQJBCYDZEOIY-HXUWFJFHSA-N 2 1 324.472 2.871 20 0 DFADMP CSCc1cnc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)s1 ZINC000293460558 427330685 /nfs/dbraw/zinc/33/06/85/427330685.db2.gz DEIDUNZAHOSHBT-NSHDSACASA-N 2 1 310.492 2.937 20 0 DFADMP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000297107352 427331717 /nfs/dbraw/zinc/33/17/17/427331717.db2.gz WXCHWOCRQIEGJJ-HNNXBMFYSA-N 2 1 315.421 2.591 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000297107352 427331724 /nfs/dbraw/zinc/33/17/24/427331724.db2.gz WXCHWOCRQIEGJJ-HNNXBMFYSA-N 2 1 315.421 2.591 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000262146010 427353224 /nfs/dbraw/zinc/35/32/24/427353224.db2.gz MWCRDRKSUBWGPR-XDNAFOTISA-N 2 1 321.509 2.535 20 0 DFADMP COc1cc(C)nc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000270374519 427336954 /nfs/dbraw/zinc/33/69/54/427336954.db2.gz ZTFSHDVELBXMIN-INIZCTEOSA-N 2 1 300.406 2.568 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000270374519 427336961 /nfs/dbraw/zinc/33/69/61/427336961.db2.gz ZTFSHDVELBXMIN-INIZCTEOSA-N 2 1 300.406 2.568 20 0 DFADMP C[C@@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261722175 427338103 /nfs/dbraw/zinc/33/81/03/427338103.db2.gz GBEPZGAFMYCOBV-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)Cc2ccc(F)cc2)CC1 ZINC000191390464 427338757 /nfs/dbraw/zinc/33/87/57/427338757.db2.gz HZCJAJBFGQLMRM-UHFFFAOYSA-N 2 1 307.457 2.674 20 0 DFADMP O=C(NC[C@H]1CCC[N@@H+](CC2CCCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261890026 427343195 /nfs/dbraw/zinc/34/31/95/427343195.db2.gz NQKSPOBBWQZVST-QZTJIDSGSA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261894209 427344788 /nfs/dbraw/zinc/34/47/88/427344788.db2.gz GWVSPNHJKYQCTK-RCCFBDPRSA-N 2 1 318.461 2.721 20 0 DFADMP Fc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)CC2)c1 ZINC000261934895 427346993 /nfs/dbraw/zinc/34/69/93/427346993.db2.gz MDOZFFJFWJELSV-RCCFBDPRSA-N 2 1 318.436 2.604 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293519319 427350946 /nfs/dbraw/zinc/35/09/46/427350946.db2.gz UGFZDAXQIVJSAP-HUUCEWRRSA-N 2 1 315.461 2.523 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000296989995 427298343 /nfs/dbraw/zinc/29/83/43/427298343.db2.gz ZLYWHSVUPFJOBX-RGCFKVTRSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000296989995 427298348 /nfs/dbraw/zinc/29/83/48/427298348.db2.gz ZLYWHSVUPFJOBX-RGCFKVTRSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000296989995 427298354 /nfs/dbraw/zinc/29/83/54/427298354.db2.gz ZLYWHSVUPFJOBX-RGCFKVTRSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000296989995 427298360 /nfs/dbraw/zinc/29/83/60/427298360.db2.gz ZLYWHSVUPFJOBX-RGCFKVTRSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000296989995 427298367 /nfs/dbraw/zinc/29/83/67/427298367.db2.gz ZLYWHSVUPFJOBX-RGCFKVTRSA-N 2 1 302.462 2.708 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000191536421 427374373 /nfs/dbraw/zinc/37/43/73/427374373.db2.gz NTHKHSBPWIENLD-SFHVURJKSA-N 2 1 312.498 2.768 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCOC3(C)C)c2)CCO1 ZINC000293613311 427381897 /nfs/dbraw/zinc/38/18/97/427381897.db2.gz GRKPRHUSDTXSSF-MAUKXSAKSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCOC3(C)C)c2)CCO1 ZINC000293613311 427381904 /nfs/dbraw/zinc/38/19/04/427381904.db2.gz GRKPRHUSDTXSSF-MAUKXSAKSA-N 2 1 318.461 2.564 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)CO2 ZINC000297504823 427408285 /nfs/dbraw/zinc/40/82/85/427408285.db2.gz CDVQIGKTYNGREB-NVXWUHKLSA-N 2 1 318.461 2.709 20 0 DFADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000271136648 427412832 /nfs/dbraw/zinc/41/28/32/427412832.db2.gz NGKDDQHGYAEKQR-QAPCUYQASA-N 2 1 302.462 2.980 20 0 DFADMP CC(C)[N@H+]1CCCN([C@H]2CC[NH+](Cc3ccccc3)C2)CC1 ZINC000297632879 427417204 /nfs/dbraw/zinc/41/72/04/427417204.db2.gz HYZVHAKIZXURQO-IBGZPJMESA-N 2 1 301.478 2.677 20 0 DFADMP CC(C)[NH+]1CCCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000297632879 427417209 /nfs/dbraw/zinc/41/72/09/427417209.db2.gz HYZVHAKIZXURQO-IBGZPJMESA-N 2 1 301.478 2.677 20 0 DFADMP CC(C)[NH+]1CCCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297632879 427417213 /nfs/dbraw/zinc/41/72/13/427417213.db2.gz HYZVHAKIZXURQO-IBGZPJMESA-N 2 1 301.478 2.677 20 0 DFADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000262303494 427354901 /nfs/dbraw/zinc/35/49/01/427354901.db2.gz XVUXUAWFNNRKKQ-GOSISDBHSA-N 2 1 316.424 2.580 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@H]12 ZINC000262442194 427358276 /nfs/dbraw/zinc/35/82/76/427358276.db2.gz GYCQTOZLGFIWLY-KCQAQPDRSA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@H]12 ZINC000262442194 427358280 /nfs/dbraw/zinc/35/82/80/427358280.db2.gz GYCQTOZLGFIWLY-KCQAQPDRSA-N 2 1 322.836 2.670 20 0 DFADMP CC[NH+](CC)CCOc1ccc(-c2noc(C[NH+](C)C)n2)cc1 ZINC000277912915 427358470 /nfs/dbraw/zinc/35/84/70/427358470.db2.gz MMJPGUVGGXIQMR-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP C[NH2+]CCC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000262416584 427359929 /nfs/dbraw/zinc/35/99/29/427359929.db2.gz REEGWBHDNOQUDS-UHFFFAOYSA-N 2 1 317.477 2.677 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000192098492 427479788 /nfs/dbraw/zinc/47/97/88/427479788.db2.gz ZASCTMYRRWGESW-KGLIPLIRSA-N 2 1 314.433 2.977 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c1 ZINC000192098480 427479914 /nfs/dbraw/zinc/47/99/14/427479914.db2.gz ZASCTMYRRWGESW-ZIAGYGMSSA-N 2 1 314.433 2.977 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccnc(N)c1 ZINC000278871985 427483524 /nfs/dbraw/zinc/48/35/24/427483524.db2.gz OEMSPDADHQYDKV-MAUKXSAKSA-N 2 1 310.445 2.664 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)[C@@H](C)[NH3+])c2C1 ZINC000192107241 427484251 /nfs/dbraw/zinc/48/42/51/427484251.db2.gz MJODTFRUUVSERK-UONOGXRCSA-N 2 1 303.450 2.970 20 0 DFADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@H]1C[C@@H]1c1ccccc1 ZINC000338783311 427484508 /nfs/dbraw/zinc/48/45/08/427484508.db2.gz VEHWNKMALRYCMZ-CGTJXYLNSA-N 2 1 302.462 2.879 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])c1 ZINC000192123285 427485536 /nfs/dbraw/zinc/48/55/36/427485536.db2.gz TXVWVDRALUEXFB-JKSUJKDBSA-N 2 1 319.493 2.908 20 0 DFADMP CCCC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286089108 427420531 /nfs/dbraw/zinc/42/05/31/427420531.db2.gz STDOSBGQZSJDCW-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP C[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000278343426 427430973 /nfs/dbraw/zinc/43/09/73/427430973.db2.gz AJZHCPWTHHANLH-DNVCBOLYSA-N 2 1 320.452 2.847 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)C[S@](C)=O)cc1 ZINC000184298298 427432418 /nfs/dbraw/zinc/43/24/18/427432418.db2.gz UQBCGUSRRXCJKM-ZNLKAECVSA-N 2 1 305.447 2.598 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286178747 427447268 /nfs/dbraw/zinc/44/72/68/427447268.db2.gz XBAFLDCNOIAEPD-CEXWTWQISA-N 2 1 311.429 2.696 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000286178747 427447272 /nfs/dbraw/zinc/44/72/72/427447272.db2.gz XBAFLDCNOIAEPD-CEXWTWQISA-N 2 1 311.429 2.696 20 0 DFADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1O ZINC000297990081 427496251 /nfs/dbraw/zinc/49/62/51/427496251.db2.gz YPRXNOLLAARTBO-HOCLYGCPSA-N 2 1 306.450 2.953 20 0 DFADMP COc1cccc(OC)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000286348591 427500356 /nfs/dbraw/zinc/50/03/56/427500356.db2.gz FMGDGQWYLALUAG-ZDUSSCGKSA-N 2 1 303.406 2.635 20 0 DFADMP CC1(C)OCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000293956455 427501255 /nfs/dbraw/zinc/50/12/55/427501255.db2.gz ZQTRZRFYQBUZLA-QZTJIDSGSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1Br ZINC000286383851 427511193 /nfs/dbraw/zinc/51/11/93/427511193.db2.gz ONYXOGMJUVAHLD-NEPJUHHUSA-N 2 1 310.239 2.907 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000278955928 427514790 /nfs/dbraw/zinc/51/47/90/427514790.db2.gz LUZMGHTZEHUHMB-ZIAGYGMSSA-N 2 1 315.417 2.814 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+]C1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000298109869 427521627 /nfs/dbraw/zinc/52/16/27/427521627.db2.gz OFNZTJKWOVUGNG-OXQOHEQNSA-N 2 1 316.489 2.833 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@H]1CCC[N@H+]1C1CC1 ZINC000278999961 427527082 /nfs/dbraw/zinc/52/70/82/427527082.db2.gz GMHVOGXPFZQDOZ-QGZVFWFLSA-N 2 1 301.434 2.622 20 0 DFADMP C[C@@H](O)CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000279062391 427545854 /nfs/dbraw/zinc/54/58/54/427545854.db2.gz KZTJKSZOCQADPN-OQIJWPOYSA-N 2 1 302.462 2.933 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccccc2)CC1 ZINC000263726588 427551358 /nfs/dbraw/zinc/55/13/58/427551358.db2.gz RRXQYXXFWDBUIE-UHFFFAOYSA-N 2 1 303.450 2.820 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@@H]1c1nncn1C ZINC000192141693 427489233 /nfs/dbraw/zinc/48/92/33/427489233.db2.gz VOTLKDTXLGRYSW-QGZVFWFLSA-N 2 1 322.416 2.646 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCC[C@@H]1c1nncn1C ZINC000192141693 427489240 /nfs/dbraw/zinc/48/92/40/427489240.db2.gz VOTLKDTXLGRYSW-QGZVFWFLSA-N 2 1 322.416 2.646 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)OCc2ccccc2)CC1 ZINC000272054206 427618232 /nfs/dbraw/zinc/61/82/32/427618232.db2.gz VHIAQQZQBSIYHF-UHFFFAOYSA-N 2 1 318.461 2.925 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000341705058 271880495 /nfs/dbraw/zinc/88/04/95/271880495.db2.gz FWCQOBQTZXVXQI-HKUYNNGSSA-N 2 1 320.452 2.886 20 0 DFADMP CC[C@](C)(O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000192841859 427620873 /nfs/dbraw/zinc/62/08/73/427620873.db2.gz LLWNBZCXWRGDKF-IPQPSQTFSA-N 2 1 302.462 2.933 20 0 DFADMP c1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)n(-c2ccccc2)n1 ZINC000279112890 427563118 /nfs/dbraw/zinc/56/31/18/427563118.db2.gz KRBKTMMHYKKLKD-UHFFFAOYSA-N 2 1 310.445 2.836 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000271508446 427563186 /nfs/dbraw/zinc/56/31/86/427563186.db2.gz OKDAETBTRUAMDB-GRDNDAEWSA-N 2 1 319.449 2.726 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000271524074 427572216 /nfs/dbraw/zinc/57/22/16/427572216.db2.gz PVULXHYMCRSZII-QGTPRVQTSA-N 2 1 318.461 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000192702928 427592327 /nfs/dbraw/zinc/59/23/27/427592327.db2.gz IAHFVHYKLRCQLC-SOLBZPMBSA-N 2 1 301.478 2.758 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000294230325 427593392 /nfs/dbraw/zinc/59/33/92/427593392.db2.gz STXCSKCJGICAQN-JKSUJKDBSA-N 2 1 302.418 2.882 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000294230325 427593398 /nfs/dbraw/zinc/59/33/98/427593398.db2.gz STXCSKCJGICAQN-JKSUJKDBSA-N 2 1 302.418 2.882 20 0 DFADMP Cc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000192773585 427610091 /nfs/dbraw/zinc/61/00/91/427610091.db2.gz JECIWFKRRSCDJR-XVLXNVKGSA-N 2 1 301.478 2.813 20 0 DFADMP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000192773585 427610099 /nfs/dbraw/zinc/61/00/99/427610099.db2.gz JECIWFKRRSCDJR-XVLXNVKGSA-N 2 1 301.478 2.813 20 0 DFADMP Cc1ccc([C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000192773585 427610106 /nfs/dbraw/zinc/61/01/06/427610106.db2.gz JECIWFKRRSCDJR-XVLXNVKGSA-N 2 1 301.478 2.813 20 0 DFADMP COCCN(Cc1ccc(-n2ccnc2)cc1)Cc1ccccn1 ZINC000287513084 427625474 /nfs/dbraw/zinc/62/54/74/427625474.db2.gz UQENVQHMJZZBMZ-UHFFFAOYSA-N 2 1 322.412 2.916 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCCCC1 ZINC000298487504 427627981 /nfs/dbraw/zinc/62/79/81/427627981.db2.gz PSLVFAXZKLFNGP-UHFFFAOYSA-N 3 1 316.493 2.905 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185309102 427630205 /nfs/dbraw/zinc/63/02/05/427630205.db2.gz NJHNSADWEJUFBN-OMNBBPDLSA-N 2 1 310.869 2.866 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc(OC)c1OC ZINC000192901176 427633207 /nfs/dbraw/zinc/63/32/07/427633207.db2.gz IHPFODPOEBWTOH-CQSZACIVSA-N 2 1 322.449 2.849 20 0 DFADMP CN(C)[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1c(F)cccc1F ZINC000298510745 427633469 /nfs/dbraw/zinc/63/34/69/427633469.db2.gz QYSJZDOLHDGFFV-QGZVFWFLSA-N 2 1 323.431 2.784 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000192947194 427641260 /nfs/dbraw/zinc/64/12/60/427641260.db2.gz GUHSGSGUQVOXBC-AYHJJNSGSA-N 2 1 318.461 2.735 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192947194 427641264 /nfs/dbraw/zinc/64/12/64/427641264.db2.gz GUHSGSGUQVOXBC-AYHJJNSGSA-N 2 1 318.461 2.735 20 0 DFADMP c1cnn(Cc2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000298574096 427651882 /nfs/dbraw/zinc/65/18/82/427651882.db2.gz XGYDZJHAGQFSSY-UHFFFAOYSA-N 2 1 310.445 2.648 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193059286 427657168 /nfs/dbraw/zinc/65/71/68/427657168.db2.gz VAVKXNKCBFTWOW-MGNMYUMUSA-N 2 1 318.461 2.925 20 0 DFADMP COCCC[NH+]1CCC([NH2+]Cc2cc(Cl)cs2)CC1 ZINC000193077764 427660784 /nfs/dbraw/zinc/66/07/84/427660784.db2.gz KXLXKHGDEJSLJY-UHFFFAOYSA-N 2 1 302.871 2.992 20 0 DFADMP c1cnn(Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)c1 ZINC000339072136 427662564 /nfs/dbraw/zinc/66/25/64/427662564.db2.gz TXGROKIMTFVVCJ-RBUKOAKNSA-N 2 1 310.445 2.648 20 0 DFADMP Cc1cccc(C)c1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000342945291 272070174 /nfs/dbraw/zinc/07/01/74/272070174.db2.gz WZBMAGCGSQZKBR-IBGZPJMESA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccccc1OCCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000343254903 272105834 /nfs/dbraw/zinc/10/58/34/272105834.db2.gz ZHAIFOSZXVXXOJ-KSZLIROESA-N 2 1 318.461 2.511 20 0 DFADMP Cc1ccccc1OCCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000343254911 272106637 /nfs/dbraw/zinc/10/66/37/272106637.db2.gz ZHAIFOSZXVXXOJ-KZNAEPCWSA-N 2 1 318.461 2.511 20 0 DFADMP c1cn(CCC[N@H+]2CCc3c(cnn3-c3ccccc3)C2)cn1 ZINC000343262301 272108324 /nfs/dbraw/zinc/10/83/24/272108324.db2.gz VBNGQXITDJTQKS-UHFFFAOYSA-N 2 1 307.401 2.517 20 0 DFADMP CCc1cc(N(C)C[C@@H]2C[C@@H](OC)C[N@H+]2C)c2ccccc2[nH+]1 ZINC000343299290 272115035 /nfs/dbraw/zinc/11/50/35/272115035.db2.gz BDZGILDLYMDDOK-JKSUJKDBSA-N 2 1 313.445 2.953 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C(=O)N1CCCC1 ZINC000343509543 272161841 /nfs/dbraw/zinc/16/18/41/272161841.db2.gz RKUXMQXUCHQMEQ-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000295054592 427674164 /nfs/dbraw/zinc/67/41/64/427674164.db2.gz GBMBAYCBNPAGLZ-IJXRJRJASA-N 2 1 316.489 2.895 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000343532282 272166320 /nfs/dbraw/zinc/16/63/20/272166320.db2.gz VRWJIHRRXQOWFN-AEFFLSMTSA-N 2 1 319.493 2.744 20 0 DFADMP CC[N@@H+]1C[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000343575513 272174789 /nfs/dbraw/zinc/17/47/89/272174789.db2.gz QTEJMYDOZXJZCA-PXNSSMCTSA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000343575501 272174955 /nfs/dbraw/zinc/17/49/55/272174955.db2.gz QTEJMYDOZXJZCA-FXAWDEMLSA-N 2 1 315.505 2.889 20 0 DFADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000343632358 272189172 /nfs/dbraw/zinc/18/91/72/272189172.db2.gz RUZZJMNPRUQIHT-HZPDHXFCSA-N 2 1 304.434 2.729 20 0 DFADMP COc1cc(C)c(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000343632358 272189174 /nfs/dbraw/zinc/18/91/74/272189174.db2.gz RUZZJMNPRUQIHT-HZPDHXFCSA-N 2 1 304.434 2.729 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)n2c1 ZINC000343642142 272191933 /nfs/dbraw/zinc/19/19/33/272191933.db2.gz YNFHSFUIWQQKGQ-UONOGXRCSA-N 2 1 304.825 2.704 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)n2c1 ZINC000343642142 272191934 /nfs/dbraw/zinc/19/19/34/272191934.db2.gz YNFHSFUIWQQKGQ-UONOGXRCSA-N 2 1 304.825 2.704 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]1C[N@@H+](C)CCN1C ZINC000272222369 427676329 /nfs/dbraw/zinc/67/63/29/427676329.db2.gz NVQHQTGTZHUAGT-HNNXBMFYSA-N 2 1 312.461 2.763 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]1CN(C)CC[N@@H+]1C ZINC000272222369 427676333 /nfs/dbraw/zinc/67/63/33/427676333.db2.gz NVQHQTGTZHUAGT-HNNXBMFYSA-N 2 1 312.461 2.763 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1NC[C@H]1CN(C)CC[N@H+]1C ZINC000272222369 427676338 /nfs/dbraw/zinc/67/63/38/427676338.db2.gz NVQHQTGTZHUAGT-HNNXBMFYSA-N 2 1 312.461 2.763 20 0 DFADMP CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000343803766 272222764 /nfs/dbraw/zinc/22/27/64/272222764.db2.gz NGOMOQSOIVSSDD-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343922051 272238362 /nfs/dbraw/zinc/23/83/62/272238362.db2.gz KNNPWYUJHCMDJP-AZUAARDMSA-N 2 1 315.505 2.761 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000343972318 272246046 /nfs/dbraw/zinc/24/60/46/272246046.db2.gz DQRMWLWPQREESR-RTBURBONSA-N 2 1 318.461 2.607 20 0 DFADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C12CCC2 ZINC000344045749 272252789 /nfs/dbraw/zinc/25/27/89/272252789.db2.gz GSDDCPCHXPZHCS-MDMSPXHWSA-N 2 1 324.509 2.669 20 0 DFADMP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)sc2C1 ZINC000344084582 272259943 /nfs/dbraw/zinc/25/99/43/272259943.db2.gz BHMNWILLCNGOLR-QWHCGFSZSA-N 2 1 316.474 2.817 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C)CCO2 ZINC000344110001 272264718 /nfs/dbraw/zinc/26/47/18/272264718.db2.gz OKPDPJKLDZWTNO-NSNWQYSKSA-N 2 1 304.434 2.837 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CCO2 ZINC000344110001 272264720 /nfs/dbraw/zinc/26/47/20/272264720.db2.gz OKPDPJKLDZWTNO-NSNWQYSKSA-N 2 1 304.434 2.837 20 0 DFADMP Cn1c2c(nc1[C@H]1CCCN1CC[C@@H]1CCC[N@H+]1C)CCCC2 ZINC000344362671 272321089 /nfs/dbraw/zinc/32/10/89/272321089.db2.gz IQHJKDQPEGEBRO-MAUKXSAKSA-N 2 1 316.493 2.920 20 0 DFADMP CC[C@H](C(=O)NCCCC[N@H+]1CCC[C@H](C)C1)[NH+](CC)CC ZINC000344518742 272333254 /nfs/dbraw/zinc/33/32/54/272333254.db2.gz BXWXQXKBGMESPW-DLBZAZTESA-N 2 1 311.514 2.735 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000344662698 272353544 /nfs/dbraw/zinc/35/35/44/272353544.db2.gz KFVCWYUIEZAZRK-IRXDYDNUSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1nn(C)c(C)c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000344762510 272365963 /nfs/dbraw/zinc/36/59/63/272365963.db2.gz DYYZYWFSVNSNTF-UHFFFAOYSA-N 2 1 304.482 2.924 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000344777997 272366675 /nfs/dbraw/zinc/36/66/75/272366675.db2.gz VLHJNFKLZIVBCK-CJNGLKHVSA-N 2 1 323.506 2.837 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(CO)cc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755371 427700455 /nfs/dbraw/zinc/70/04/55/427700455.db2.gz WKHAYMOZQBXTQW-CRAIPNDOSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000287921924 427716813 /nfs/dbraw/zinc/71/68/13/427716813.db2.gz WDEJOYGGUMWLPD-XYPHTWIQSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000287921924 427716818 /nfs/dbraw/zinc/71/68/18/427716818.db2.gz WDEJOYGGUMWLPD-XYPHTWIQSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000287921924 427716825 /nfs/dbraw/zinc/71/68/25/427716825.db2.gz WDEJOYGGUMWLPD-XYPHTWIQSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000287921924 427716828 /nfs/dbraw/zinc/71/68/28/427716828.db2.gz WDEJOYGGUMWLPD-XYPHTWIQSA-N 2 1 310.869 2.658 20 0 DFADMP Cc1ccc(-c2noc(CCC[NH+]3CCC([NH3+])CC3)n2)cc1F ZINC000339363623 427760639 /nfs/dbraw/zinc/76/06/39/427760639.db2.gz YMQJGDZVJMGJGN-UHFFFAOYSA-N 2 1 318.396 2.540 20 0 DFADMP Cc1cnn(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)c1 ZINC000336863459 427765899 /nfs/dbraw/zinc/76/58/99/427765899.db2.gz IHOWHLFCWYLZPY-ROUUACIJSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c1 ZINC000336863459 427765902 /nfs/dbraw/zinc/76/59/02/427765902.db2.gz IHOWHLFCWYLZPY-ROUUACIJSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000336863459 427765905 /nfs/dbraw/zinc/76/59/05/427765905.db2.gz IHOWHLFCWYLZPY-ROUUACIJSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)c1 ZINC000336863459 427765907 /nfs/dbraw/zinc/76/59/07/427765907.db2.gz IHOWHLFCWYLZPY-ROUUACIJSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000336871471 427768612 /nfs/dbraw/zinc/76/86/12/427768612.db2.gz MGYIIKYJPYOHGF-LJQANCHMSA-N 2 1 313.445 2.915 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC[C@H]1Cc1ccccc1 ZINC000336871471 427768614 /nfs/dbraw/zinc/76/86/14/427768614.db2.gz MGYIIKYJPYOHGF-LJQANCHMSA-N 2 1 313.445 2.915 20 0 DFADMP Cc1ccc(CCC[N@H+]2C[C@H](C[NH3+])[C@@H](c3ccccc3)C2)cn1 ZINC000339406879 427769485 /nfs/dbraw/zinc/76/94/85/427769485.db2.gz GZVHKZMOQWSACR-VQTJNVASSA-N 2 1 309.457 2.997 20 0 DFADMP COc1ccccc1[C@@H](CNc1cc(C)[nH+]c(C)n1)[NH+](C)C ZINC000301077356 427773748 /nfs/dbraw/zinc/77/37/48/427773748.db2.gz LSGQGAGPTCOFSA-OAHLLOKOSA-N 2 1 300.406 2.817 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000339433051 427774295 /nfs/dbraw/zinc/77/42/95/427774295.db2.gz IENBYKCNKRWVIT-QFBILLFUSA-N 2 1 315.461 2.740 20 0 DFADMP CC[C@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)C(C)(C)O ZINC000339544760 427791476 /nfs/dbraw/zinc/79/14/76/427791476.db2.gz VWZMBLNOVWHUMG-AWEZNQCLSA-N 2 1 311.495 2.549 20 0 DFADMP CN(CCC[N@H+](C)Cc1cccc(F)c1Cl)CC[NH+](C)C ZINC000339205807 427732020 /nfs/dbraw/zinc/73/20/20/427732020.db2.gz QBJDUCQHNQWDLM-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cccc(F)c1Cl)CC[NH+](C)C ZINC000339205807 427732024 /nfs/dbraw/zinc/73/20/24/427732024.db2.gz QBJDUCQHNQWDLM-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP COC[C@@H](C)[NH+]1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000301397263 427793922 /nfs/dbraw/zinc/79/39/22/427793922.db2.gz GWSWRXSLKIKOAR-CYBMUJFWSA-N 2 1 303.381 2.531 20 0 DFADMP CCN1CC[NH+]([C@H]2CCN(c3cc[nH+]c4c(C)cccc34)C2)CC1 ZINC000301652221 427812677 /nfs/dbraw/zinc/81/26/77/427812677.db2.gz GOKBMNUDAVNWSG-KRWDZBQOSA-N 2 1 324.472 2.759 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnn2C(C)C)[C@H](C)C1 ZINC000337206601 427815241 /nfs/dbraw/zinc/81/52/41/427815241.db2.gz MWGMLPJLUMUYKR-AEFFLSMTSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnn2C(C)C)[C@H](C)C1 ZINC000337206601 427815244 /nfs/dbraw/zinc/81/52/44/427815244.db2.gz MWGMLPJLUMUYKR-AEFFLSMTSA-N 2 1 322.497 2.691 20 0 DFADMP Cc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c2cc(F)ccc2[nH+]1 ZINC000301688761 427816436 /nfs/dbraw/zinc/81/64/36/427816436.db2.gz VPFSPQJUTORQNF-UONOGXRCSA-N 2 1 317.408 2.574 20 0 DFADMP CN(C)c1cc[nH+]c(NC2CC[NH+](C3CCCCC3)CC2)n1 ZINC000301774746 427823860 /nfs/dbraw/zinc/82/38/60/427823860.db2.gz QKIADKWRELYRPY-UHFFFAOYSA-N 2 1 303.454 2.752 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000340378787 427833389 /nfs/dbraw/zinc/83/33/89/427833389.db2.gz UNURJSYKFAJLRU-YDZRNGNQSA-N 2 1 318.461 2.606 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000340378787 427833392 /nfs/dbraw/zinc/83/33/92/427833392.db2.gz UNURJSYKFAJLRU-YDZRNGNQSA-N 2 1 318.461 2.606 20 0 DFADMP CCn1nc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c2ccccc21 ZINC000349643127 427835826 /nfs/dbraw/zinc/83/58/26/427835826.db2.gz DSBMXHDDLPXRLP-AWEZNQCLSA-N 2 1 311.433 2.987 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CC[C@H](C)C1 ZINC000345657204 427847737 /nfs/dbraw/zinc/84/77/37/427847737.db2.gz VFUGDLBLFVBZDF-OKZBNKHCSA-N 2 1 323.525 2.687 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000340477204 427859150 /nfs/dbraw/zinc/85/91/50/427859150.db2.gz XILWCBFYWJFGMS-CVEARBPZSA-N 2 1 320.477 2.810 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000340477204 427859154 /nfs/dbraw/zinc/85/91/54/427859154.db2.gz XILWCBFYWJFGMS-CVEARBPZSA-N 2 1 320.477 2.810 20 0 DFADMP CCCCOc1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000359455239 427858917 /nfs/dbraw/zinc/85/89/17/427858917.db2.gz CYKQSLMOOMOEPO-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340504881 427867246 /nfs/dbraw/zinc/86/72/46/427867246.db2.gz QWMCMELFOKVSDM-PKOBYXMFSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340504881 427867249 /nfs/dbraw/zinc/86/72/49/427867249.db2.gz QWMCMELFOKVSDM-PKOBYXMFSA-N 2 1 310.445 2.753 20 0 DFADMP Cn1ccnc1[C@H]1CC[N@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000339908113 427870453 /nfs/dbraw/zinc/87/04/53/427870453.db2.gz KCDYHBYFUXSWJU-KRWDZBQOSA-N 2 1 321.428 2.654 20 0 DFADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2nccn2Cc2ccccc2)C1 ZINC000339908113 427870460 /nfs/dbraw/zinc/87/04/60/427870460.db2.gz KCDYHBYFUXSWJU-KRWDZBQOSA-N 2 1 321.428 2.654 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[C@]1(C)[NH3+] ZINC000345726985 427877962 /nfs/dbraw/zinc/87/79/62/427877962.db2.gz ZEDOKCQDJIEDGR-RYRKJORJSA-N 2 1 309.498 2.665 20 0 DFADMP CCc1nc(NCc2ccccc2C[NH+]2CCCC2)cc(C)[nH+]1 ZINC000339969860 427891985 /nfs/dbraw/zinc/89/19/85/427891985.db2.gz VCEDPXFOFTXEDE-UHFFFAOYSA-N 2 1 310.445 3.555 20 0 DFADMP CC[NH+](CC)[C@@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000340590921 427893710 /nfs/dbraw/zinc/89/37/10/427893710.db2.gz QCYSZOXUMITPLW-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[N@H+](C(C)C)CC1 ZINC000337460998 427917818 /nfs/dbraw/zinc/91/78/18/427917818.db2.gz PJMRBGKYUOJZJH-UHFFFAOYSA-N 2 1 311.514 2.831 20 0 DFADMP CC[C@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+](CC)CC ZINC000345817299 427918620 /nfs/dbraw/zinc/91/86/20/427918620.db2.gz XRSXZZPMSLHDKU-QGZVFWFLSA-N 2 1 311.514 2.830 20 0 DFADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223306 427957455 /nfs/dbraw/zinc/95/74/55/427957455.db2.gz QLNDKMYAUNTWAY-PKOBYXMFSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223306 427957459 /nfs/dbraw/zinc/95/74/59/427957459.db2.gz QLNDKMYAUNTWAY-PKOBYXMFSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223306 427957464 /nfs/dbraw/zinc/95/74/64/427957464.db2.gz QLNDKMYAUNTWAY-PKOBYXMFSA-N 2 1 301.478 2.896 20 0 DFADMP CC(C)[N@H+](C)CCN[C@H]1CCC[NH+](Cc2ccccc2)[C@@H]1C ZINC000340222840 427958810 /nfs/dbraw/zinc/95/88/10/427958810.db2.gz PHNXCZBALRVUND-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H]1CCC[NH+](Cc2ccccc2)[C@@H]1C ZINC000340222840 427958816 /nfs/dbraw/zinc/95/88/16/427958816.db2.gz PHNXCZBALRVUND-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340222840 427958822 /nfs/dbraw/zinc/95/88/22/427958822.db2.gz PHNXCZBALRVUND-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340222840 427958824 /nfs/dbraw/zinc/95/88/24/427958824.db2.gz PHNXCZBALRVUND-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C[C@H](C)[NH3+])c1 ZINC000340237901 427962639 /nfs/dbraw/zinc/96/26/39/427962639.db2.gz PDQMHVHELJDPGS-HNNXBMFYSA-N 2 1 305.466 2.662 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1F ZINC000346909390 272700567 /nfs/dbraw/zinc/70/05/67/272700567.db2.gz GMYMXTYGPBIKLD-LXZKKBNFSA-N 2 1 306.425 2.697 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@H]3CCC[NH2+][C@H]3C2)cc1F ZINC000346909390 272700569 /nfs/dbraw/zinc/70/05/69/272700569.db2.gz GMYMXTYGPBIKLD-LXZKKBNFSA-N 2 1 306.425 2.697 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256397 427967536 /nfs/dbraw/zinc/96/75/36/427967536.db2.gz HQBXSORAQGAZAD-JQFCIGGWSA-N 2 1 304.434 2.997 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(C(=O)OC)cc1 ZINC000340256397 427967541 /nfs/dbraw/zinc/96/75/41/427967541.db2.gz HQBXSORAQGAZAD-JQFCIGGWSA-N 2 1 304.434 2.997 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000340259698 427968547 /nfs/dbraw/zinc/96/85/47/427968547.db2.gz KRWUSZIYMCVQSN-OTWHNJEPSA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCO[C@@H]2CCOC2)C[C@H]1c1ccccc1 ZINC000340259698 427968551 /nfs/dbraw/zinc/96/85/51/427968551.db2.gz KRWUSZIYMCVQSN-OTWHNJEPSA-N 2 1 318.461 2.607 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ncccc2C)[C@@H](C)C1 ZINC000359686897 427973251 /nfs/dbraw/zinc/97/32/51/427973251.db2.gz HUZGDTNBZYCYQJ-IRXDYDNUSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ncccc2C)[C@@H](C)C1 ZINC000359686897 427973255 /nfs/dbraw/zinc/97/32/55/427973255.db2.gz HUZGDTNBZYCYQJ-IRXDYDNUSA-N 2 1 305.466 2.617 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337599533 427976140 /nfs/dbraw/zinc/97/61/40/427976140.db2.gz MYYAOARHSQXFEJ-PVAVHDDUSA-N 2 1 316.445 2.953 20 0 DFADMP CCC[N@H+](Cc1cnn(Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000347077381 272721773 /nfs/dbraw/zinc/72/17/73/272721773.db2.gz VKWPUXITMYPMGN-UHFFFAOYSA-N 2 1 312.461 2.895 20 0 DFADMP CCC[N@@H+](Cc1cnn(Cc2ccccc2)c1)C1CC[NH2+]CC1 ZINC000347077381 272721774 /nfs/dbraw/zinc/72/17/74/272721774.db2.gz VKWPUXITMYPMGN-UHFFFAOYSA-N 2 1 312.461 2.895 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@@H+]4CCCC[C@@H]34)CC2)n1 ZINC000346107119 428021555 /nfs/dbraw/zinc/02/15/55/428021555.db2.gz UREQOABRFTWHNA-HOTGVXAUSA-N 2 1 320.506 2.637 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@H+]4CCCC[C@@H]34)CC2)n1 ZINC000346107119 428021561 /nfs/dbraw/zinc/02/15/61/428021561.db2.gz UREQOABRFTWHNA-HOTGVXAUSA-N 2 1 320.506 2.637 20 0 DFADMP CSC[C@@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000376937634 428027828 /nfs/dbraw/zinc/02/78/28/428027828.db2.gz PLWXJQOZEJYQPA-FZMZJTMJSA-N 2 1 323.437 2.694 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000346132515 428030211 /nfs/dbraw/zinc/03/02/11/428030211.db2.gz BXNSPULQCFKTBP-CALCHBBNSA-N 2 1 323.525 2.830 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000346132515 428030215 /nfs/dbraw/zinc/03/02/15/428030215.db2.gz BXNSPULQCFKTBP-CALCHBBNSA-N 2 1 323.525 2.830 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000346132515 428030220 /nfs/dbraw/zinc/03/02/20/428030220.db2.gz BXNSPULQCFKTBP-CALCHBBNSA-N 2 1 323.525 2.830 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377093181 428055754 /nfs/dbraw/zinc/05/57/54/428055754.db2.gz JOWQHELUSCFFJM-PKOBYXMFSA-N 2 1 324.472 2.909 20 0 DFADMP C[N@H+](CCC(=O)Nc1cccc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000359877935 428058041 /nfs/dbraw/zinc/05/80/41/428058041.db2.gz MPTLPFBCKOBCAJ-GOSISDBHSA-N 2 1 311.429 2.838 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc2ccccc21)[C@H](C[NH3+])C1CC1 ZINC000359877935 428058047 /nfs/dbraw/zinc/05/80/47/428058047.db2.gz MPTLPFBCKOBCAJ-GOSISDBHSA-N 2 1 311.429 2.838 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000359878368 428058073 /nfs/dbraw/zinc/05/80/73/428058073.db2.gz PCXJCJOMIVYMOX-GOSISDBHSA-N 2 1 305.466 2.631 20 0 DFADMP CCc1cnc(C[N@H+]2CC[C@H](OCC[NH+](CC)CC)C2)s1 ZINC000346187592 428060488 /nfs/dbraw/zinc/06/04/88/428060488.db2.gz BLWNNPMKBIVIQR-AWEZNQCLSA-N 2 1 311.495 2.638 20 0 DFADMP CCc1cnc(C[N@@H+]2CC[C@H](OCC[NH+](CC)CC)C2)s1 ZINC000346187592 428060493 /nfs/dbraw/zinc/06/04/93/428060493.db2.gz BLWNNPMKBIVIQR-AWEZNQCLSA-N 2 1 311.495 2.638 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C[C@@H]1CCOC1)C1CC1 ZINC000346187617 428060955 /nfs/dbraw/zinc/06/09/55/428060955.db2.gz XCLABVLHMLKHCT-HNNXBMFYSA-N 2 1 312.417 2.577 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2ccsc2Cl)CC1 ZINC000359763981 428008030 /nfs/dbraw/zinc/00/80/30/428008030.db2.gz HTFDQAPSXAUXMT-UHFFFAOYSA-N 2 1 315.914 2.765 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000359775447 428012463 /nfs/dbraw/zinc/01/24/63/428012463.db2.gz QNARSAHGBKLPOA-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000359775447 428012469 /nfs/dbraw/zinc/01/24/69/428012469.db2.gz QNARSAHGBKLPOA-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000369610276 428014599 /nfs/dbraw/zinc/01/45/99/428014599.db2.gz ZSBWTHWNKFZYDZ-DJIMGWMZSA-N 2 1 315.465 2.877 20 0 DFADMP Cn1ccnc1-c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000369840223 428072273 /nfs/dbraw/zinc/07/22/73/428072273.db2.gz KGGAIKRSVGBNFV-QZTJIDSGSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341606201 428127220 /nfs/dbraw/zinc/12/72/20/428127220.db2.gz VEVSVCATPRYTKC-DZGCQCFKSA-N 2 1 317.433 2.543 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341606201 428127224 /nfs/dbraw/zinc/12/72/24/428127224.db2.gz VEVSVCATPRYTKC-DZGCQCFKSA-N 2 1 317.433 2.543 20 0 DFADMP c1cn(-c2csc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)c2)cn1 ZINC000346219863 428076000 /nfs/dbraw/zinc/07/60/00/428076000.db2.gz NFDRVMKYEBOTMY-HNNXBMFYSA-N 2 1 316.474 2.852 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000359950388 428089354 /nfs/dbraw/zinc/08/93/54/428089354.db2.gz RAUXWSKFQLGWMV-UHFFFAOYSA-N 2 1 315.914 2.909 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000351861450 428112701 /nfs/dbraw/zinc/11/27/01/428112701.db2.gz LKXWPFNOORETEK-NWDGAFQWSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000351859199 428113541 /nfs/dbraw/zinc/11/35/41/428113541.db2.gz FVLVIMAFKJOAPW-VXGBXAGGSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000360007759 428115835 /nfs/dbraw/zinc/11/58/35/428115835.db2.gz RDAYVHHMNXDLFT-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360007759 428115842 /nfs/dbraw/zinc/11/58/42/428115842.db2.gz RDAYVHHMNXDLFT-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360007759 428115850 /nfs/dbraw/zinc/11/58/50/428115850.db2.gz RDAYVHHMNXDLFT-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000360012997 428118206 /nfs/dbraw/zinc/11/82/06/428118206.db2.gz DTWQJGGZNGGGFQ-GOEBONIOSA-N 2 1 315.417 2.574 20 0 DFADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360026346 428123238 /nfs/dbraw/zinc/12/32/38/428123238.db2.gz YFZGNUNFOZFGOZ-RHSMWYFYSA-N 2 1 303.450 2.855 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C[C@@H]1C ZINC000413498449 428064518 /nfs/dbraw/zinc/06/45/18/428064518.db2.gz MQSHEVLJXJAPET-NRKLIOEPSA-N 2 1 309.498 2.579 20 0 DFADMP O[C@H](CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000377124102 428064584 /nfs/dbraw/zinc/06/45/84/428064584.db2.gz CPIRAXIEBIKVCG-FCGDIQPGSA-N 2 1 300.446 2.526 20 0 DFADMP O[C@H](CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccccc1 ZINC000377124102 428064588 /nfs/dbraw/zinc/06/45/88/428064588.db2.gz CPIRAXIEBIKVCG-FCGDIQPGSA-N 2 1 300.446 2.526 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000346342484 428134311 /nfs/dbraw/zinc/13/43/11/428134311.db2.gz RVHMZAYSXDUZKI-HZPDHXFCSA-N 2 1 320.481 2.728 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)C[C@H]1C ZINC000346342484 428134315 /nfs/dbraw/zinc/13/43/15/428134315.db2.gz RVHMZAYSXDUZKI-HZPDHXFCSA-N 2 1 320.481 2.728 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352534292 428138453 /nfs/dbraw/zinc/13/84/53/428138453.db2.gz FEIHQCXUKDQZMS-LJQANCHMSA-N 2 1 310.445 2.961 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000352534292 428138459 /nfs/dbraw/zinc/13/84/59/428138459.db2.gz FEIHQCXUKDQZMS-LJQANCHMSA-N 2 1 310.445 2.961 20 0 DFADMP c1cc(CCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352540455 428143158 /nfs/dbraw/zinc/14/31/58/428143158.db2.gz LIEPMXBVGHUGQP-LJQANCHMSA-N 2 1 300.446 2.630 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000352544662 428143806 /nfs/dbraw/zinc/14/38/06/428143806.db2.gz CFPARNNRXZQMSP-CYBMUJFWSA-N 2 1 302.447 2.908 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnc(-c2ccccn2)s1 ZINC000352544662 428143813 /nfs/dbraw/zinc/14/38/13/428143813.db2.gz CFPARNNRXZQMSP-CYBMUJFWSA-N 2 1 302.447 2.908 20 0 DFADMP C[N@@H+](CCN1CC[C@H]([NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000360071612 428145432 /nfs/dbraw/zinc/14/54/32/428145432.db2.gz LYKDBLMRDWQZDS-IBGZPJMESA-N 2 1 319.468 2.818 20 0 DFADMP CCOc1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352544424 428145529 /nfs/dbraw/zinc/14/55/29/428145529.db2.gz ALRUDNZQVZBDEU-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352544424 428145535 /nfs/dbraw/zinc/14/55/35/428145535.db2.gz ALRUDNZQVZBDEU-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP CC[NH+](CC)Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000346381814 428148746 /nfs/dbraw/zinc/14/87/46/428148746.db2.gz GJYVHQHMJQBQLQ-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3ccsc3)C2)nc(C)[nH+]1 ZINC000360095105 428159203 /nfs/dbraw/zinc/15/92/03/428159203.db2.gz FNJHYAGTVOSZIC-OAHLLOKOSA-N 2 1 302.447 2.914 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1F ZINC000346434713 428169886 /nfs/dbraw/zinc/16/98/86/428169886.db2.gz BQTOPCQZGRTXII-SJKOYZFVSA-N 2 1 303.381 2.977 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CCN4CCC3CC4)cc2)ccn1 ZINC000377625269 428175493 /nfs/dbraw/zinc/17/54/93/428175493.db2.gz MAGSQMXLZNTLGG-UHFFFAOYSA-N 2 1 323.440 2.941 20 0 DFADMP C[N@@H+](C/C=C/c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377625588 428176220 /nfs/dbraw/zinc/17/62/20/428176220.db2.gz KYKXHVBKDPMLRD-ZGBFETHSSA-N 2 1 313.489 2.800 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000377628671 428177267 /nfs/dbraw/zinc/17/72/67/428177267.db2.gz QLXWKFQEWNFNNP-MVHVFESUSA-N 2 1 313.489 2.659 20 0 DFADMP CC[C@H](C)[C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000356498858 428205708 /nfs/dbraw/zinc/20/57/08/428205708.db2.gz ACQPWVPBVTUEHC-ULQDDVLXSA-N 2 1 311.514 2.543 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C12CCOCC2 ZINC000346540731 428210579 /nfs/dbraw/zinc/21/05/79/428210579.db2.gz ZPATUXAXGGIFLB-DLBZAZTESA-N 2 1 324.509 2.815 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414128894 428215676 /nfs/dbraw/zinc/21/56/76/428215676.db2.gz HUIZWDAQYWQYJT-XIRDDKMYSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@H](c3cccc(Cl)c3)C2)C1 ZINC000414128894 428215679 /nfs/dbraw/zinc/21/56/79/428215679.db2.gz HUIZWDAQYWQYJT-XIRDDKMYSA-N 2 1 308.853 2.632 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H]2SCCc3ccccc32)CC1 ZINC000360240711 428217714 /nfs/dbraw/zinc/21/77/14/428217714.db2.gz WKWGZOARTGJTKJ-GOSISDBHSA-N 2 1 320.502 2.717 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2c(s1)CCCC2 ZINC000360242309 428218882 /nfs/dbraw/zinc/21/88/82/428218882.db2.gz NVBACTIJHOEBNK-HIFRSBDPSA-N 2 1 308.491 2.734 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000414155501 428220120 /nfs/dbraw/zinc/22/01/20/428220120.db2.gz SXNBFUCEXMZKMZ-MRXNPFEDSA-N 2 1 319.493 2.680 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C)n2)[C@@H](C)C1 ZINC000414161877 428221800 /nfs/dbraw/zinc/22/18/00/428221800.db2.gz GGFAXBUBXQPVEA-LPHOPBHVSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)c(C)n2)[C@@H](C)C1 ZINC000414161877 428221808 /nfs/dbraw/zinc/22/18/08/428221808.db2.gz GGFAXBUBXQPVEA-LPHOPBHVSA-N 2 1 319.493 2.925 20 0 DFADMP CC(C)C[C@@H]1C[C@@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)CCO1 ZINC000352733068 428223766 /nfs/dbraw/zinc/22/37/66/428223766.db2.gz QMSIJCPZXCHLAM-UONOGXRCSA-N 2 1 311.495 2.888 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414172876 428225476 /nfs/dbraw/zinc/22/54/76/428225476.db2.gz FQZPRYYVWGHZRK-CABCVRRESA-N 2 1 304.434 2.840 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000414187584 428231161 /nfs/dbraw/zinc/23/11/61/428231161.db2.gz QBITYAPASNRWBP-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000346616870 428241323 /nfs/dbraw/zinc/24/13/23/428241323.db2.gz PHSJGUIAHVPVSN-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000346616870 428241335 /nfs/dbraw/zinc/24/13/35/428241335.db2.gz PHSJGUIAHVPVSN-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000346616870 428241340 /nfs/dbraw/zinc/24/13/40/428241340.db2.gz PHSJGUIAHVPVSN-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@H](C)C2)[C@H](C)C1 ZINC000414230408 428237986 /nfs/dbraw/zinc/23/79/86/428237986.db2.gz NXAYREFTAUVLKZ-WCVJEAGWSA-N 2 1 300.512 2.607 20 0 DFADMP CC[NH+]1CCC(NC(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000346610290 428238284 /nfs/dbraw/zinc/23/82/84/428238284.db2.gz ZMFLKRFUQWCVOA-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2c[nH]c3cc(C)ccc23)CC1 ZINC000360165788 428186993 /nfs/dbraw/zinc/18/69/93/428186993.db2.gz YZSUZQQMXRRBDN-UHFFFAOYSA-N 2 1 315.461 2.719 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC000377674412 428190483 /nfs/dbraw/zinc/19/04/83/428190483.db2.gz KVBBXNPUZAXSOZ-MSOLQXFVSA-N 2 1 316.424 2.756 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000377691344 428194526 /nfs/dbraw/zinc/19/45/26/428194526.db2.gz FURURLLYVIVNMG-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)c1 ZINC000377691344 428194533 /nfs/dbraw/zinc/19/45/33/428194533.db2.gz FURURLLYVIVNMG-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000377691620 428195055 /nfs/dbraw/zinc/19/50/55/428195055.db2.gz IFCRLFCGRDQEQA-ZIAGYGMSSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000377691620 428195056 /nfs/dbraw/zinc/19/50/56/428195056.db2.gz IFCRLFCGRDQEQA-ZIAGYGMSSA-N 2 1 315.417 2.853 20 0 DFADMP C[N@@H+](Cc1cnn2ccccc12)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377687681 428195342 /nfs/dbraw/zinc/19/53/42/428195342.db2.gz AOAXEOGKMWKHDO-UHFFFAOYSA-N 2 1 321.428 2.830 20 0 DFADMP CC[C@H]1C[N@@H+](CCCc2cnccc2C)C[C@@]2(CCOC2)O1 ZINC000377687698 428197074 /nfs/dbraw/zinc/19/70/74/428197074.db2.gz AQESWODSWKPGPN-ZWKOTPCHSA-N 2 1 304.434 2.593 20 0 DFADMP CC[C@H]1CN(CCCc2cnccc2C)C[C@@]2(CCOC2)O1 ZINC000377687698 428197079 /nfs/dbraw/zinc/19/70/79/428197079.db2.gz AQESWODSWKPGPN-ZWKOTPCHSA-N 2 1 304.434 2.593 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000370404086 428200816 /nfs/dbraw/zinc/20/08/16/428200816.db2.gz GTYIRXXRGBKEFV-INIZCTEOSA-N 2 1 313.401 2.503 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000370404086 428200821 /nfs/dbraw/zinc/20/08/21/428200821.db2.gz GTYIRXXRGBKEFV-INIZCTEOSA-N 2 1 313.401 2.503 20 0 DFADMP C[N@@H+](Cc1nnc(-c2ccccc2)o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370405641 428202734 /nfs/dbraw/zinc/20/27/34/428202734.db2.gz LBOJROAIPPFFLS-CQSZACIVSA-N 2 1 323.400 2.628 20 0 DFADMP C[N@H+](Cc1nnc(-c2ccccc2)o1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370405641 428202739 /nfs/dbraw/zinc/20/27/39/428202739.db2.gz LBOJROAIPPFFLS-CQSZACIVSA-N 2 1 323.400 2.628 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000414351903 428268313 /nfs/dbraw/zinc/26/83/13/428268313.db2.gz SLMBEHNXBONBLM-GZOSKZMVSA-N 2 1 305.441 2.723 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000414355949 428270479 /nfs/dbraw/zinc/27/04/79/428270479.db2.gz ZKHOFSDYJFCOKF-OQIJWPOYSA-N 2 1 317.452 2.867 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000414355951 428270625 /nfs/dbraw/zinc/27/06/25/428270625.db2.gz ZKHOFSDYJFCOKF-XGXHKWSGSA-N 2 1 317.452 2.867 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000346683577 428272104 /nfs/dbraw/zinc/27/21/04/428272104.db2.gz PEFLRSDXNRMZSI-STQMWFEESA-N 2 1 318.852 2.910 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000346683577 428272107 /nfs/dbraw/zinc/27/21/07/428272107.db2.gz PEFLRSDXNRMZSI-STQMWFEESA-N 2 1 318.852 2.910 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000346690197 428274006 /nfs/dbraw/zinc/27/40/06/428274006.db2.gz STVRSLHEIZACFA-KSSFIOAISA-N 2 1 312.461 2.717 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346693217 428275574 /nfs/dbraw/zinc/27/55/74/428275574.db2.gz LNCOTCCAZSOYLW-WCQYABFASA-N 2 1 304.825 2.899 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000346695321 428275939 /nfs/dbraw/zinc/27/59/39/428275939.db2.gz ZSMYHYAQWWVBOI-QWHCGFSZSA-N 2 1 318.852 2.910 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000346695321 428275942 /nfs/dbraw/zinc/27/59/42/428275942.db2.gz ZSMYHYAQWWVBOI-QWHCGFSZSA-N 2 1 318.852 2.910 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000346693420 428276549 /nfs/dbraw/zinc/27/65/49/428276549.db2.gz NAPZSTKZYMMDDC-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000346695320 428278252 /nfs/dbraw/zinc/27/82/52/428278252.db2.gz ZSMYHYAQWWVBOI-OLZOCXBDSA-N 2 1 318.852 2.910 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000346695320 428278259 /nfs/dbraw/zinc/27/82/59/428278259.db2.gz ZSMYHYAQWWVBOI-OLZOCXBDSA-N 2 1 318.852 2.910 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000352851965 428279178 /nfs/dbraw/zinc/27/91/78/428279178.db2.gz JEVKJYRKBDJDRI-RYQLBKOJSA-N 2 1 321.509 2.511 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000352851965 428279181 /nfs/dbraw/zinc/27/91/81/428279181.db2.gz JEVKJYRKBDJDRI-RYQLBKOJSA-N 2 1 321.509 2.511 20 0 DFADMP Cc1nn2c(CN[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000346700346 428279878 /nfs/dbraw/zinc/27/98/78/428279878.db2.gz GVEZJKPYMWFDEP-WCQYABFASA-N 2 1 321.494 2.795 20 0 DFADMP Cc1nn2c(C[NH2+][C@@H]3CCN(C)[C@@H](C)C3)c(C(C)C)nc2s1 ZINC000346700346 428279881 /nfs/dbraw/zinc/27/98/81/428279881.db2.gz GVEZJKPYMWFDEP-WCQYABFASA-N 2 1 321.494 2.795 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342027959 428281620 /nfs/dbraw/zinc/28/16/20/428281620.db2.gz QJPFUGWZVFEFPG-HNNXBMFYSA-N 2 1 306.450 2.834 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342080159 428295607 /nfs/dbraw/zinc/29/56/07/428295607.db2.gz FZTRCBAETDVRCI-DZKIICNBSA-N 2 1 319.424 2.522 20 0 DFADMP CC(C)n1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)nn1 ZINC000342092111 428296260 /nfs/dbraw/zinc/29/62/60/428296260.db2.gz WBELFBBJPASZCI-IYBDPMFKSA-N 2 1 307.486 2.707 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000342095271 428297076 /nfs/dbraw/zinc/29/70/76/428297076.db2.gz FSTLGKWJYLSFJM-GZIXRCOHSA-N 2 1 319.424 2.520 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1F ZINC000342095271 428297077 /nfs/dbraw/zinc/29/70/77/428297077.db2.gz FSTLGKWJYLSFJM-GZIXRCOHSA-N 2 1 319.424 2.520 20 0 DFADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCn2ccnc2C1 ZINC000377853576 428246950 /nfs/dbraw/zinc/24/69/50/428246950.db2.gz ARNBKZAJYZQXER-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377853576 428246957 /nfs/dbraw/zinc/24/69/57/428246957.db2.gz ARNBKZAJYZQXER-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccc(-n2cccn2)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377853576 428246961 /nfs/dbraw/zinc/24/69/61/428246961.db2.gz ARNBKZAJYZQXER-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c(C(C)(C)C)n1 ZINC000377860438 428247107 /nfs/dbraw/zinc/24/71/07/428247107.db2.gz MLMYLVSOQYLKNI-CQSZACIVSA-N 2 1 315.465 2.609 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c(C(C)(C)C)n1 ZINC000377860438 428247112 /nfs/dbraw/zinc/24/71/12/428247112.db2.gz MLMYLVSOQYLKNI-CQSZACIVSA-N 2 1 315.465 2.609 20 0 DFADMP C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377861009 428247877 /nfs/dbraw/zinc/24/78/77/428247877.db2.gz OXQFRHVRQJBWAN-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1ncccc1C(F)(F)F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377861009 428247881 /nfs/dbraw/zinc/24/78/81/428247881.db2.gz OXQFRHVRQJBWAN-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858681 428247916 /nfs/dbraw/zinc/24/79/16/428247916.db2.gz AUOUKRGHILFWKG-BEFAXECRSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858681 428247920 /nfs/dbraw/zinc/24/79/20/428247920.db2.gz AUOUKRGHILFWKG-BEFAXECRSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858681 428247923 /nfs/dbraw/zinc/24/79/23/428247923.db2.gz AUOUKRGHILFWKG-BEFAXECRSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858681 428247924 /nfs/dbraw/zinc/24/79/24/428247924.db2.gz AUOUKRGHILFWKG-BEFAXECRSA-N 2 1 312.461 2.859 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H]2OC)[C@@H](C)C1 ZINC000341911456 428250193 /nfs/dbraw/zinc/25/01/93/428250193.db2.gz UTUYVZPBIXSJLX-XSLAGTTESA-N 2 1 312.498 2.528 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c2ccccc2C1 ZINC000352790269 428250776 /nfs/dbraw/zinc/25/07/76/428250776.db2.gz RLBWAXBSMGMVHR-BJZITVGISA-N 2 1 315.461 2.552 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c2ccccc2C1 ZINC000352790269 428250778 /nfs/dbraw/zinc/25/07/78/428250778.db2.gz RLBWAXBSMGMVHR-BJZITVGISA-N 2 1 315.461 2.552 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000356604765 428251347 /nfs/dbraw/zinc/25/13/47/428251347.db2.gz SUKMOPSEPUJXMH-OAHLLOKOSA-N 2 1 305.466 2.598 20 0 DFADMP COc1ccc(OC)c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377866276 428251938 /nfs/dbraw/zinc/25/19/38/428251938.db2.gz WZPIDYCVWALPIV-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377866276 428251941 /nfs/dbraw/zinc/25/19/41/428251941.db2.gz WZPIDYCVWALPIV-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346646606 428253919 /nfs/dbraw/zinc/25/39/19/428253919.db2.gz OQHKFULNUBMGCY-GOEBONIOSA-N 2 1 306.450 2.899 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000370634880 428259162 /nfs/dbraw/zinc/25/91/62/428259162.db2.gz NHSBTXVTDSVGGF-HNNXBMFYSA-N 3 1 304.482 2.824 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CC[NH+](C2CCCC2)CC1 ZINC000370634881 428260768 /nfs/dbraw/zinc/26/07/68/428260768.db2.gz NHSBTXVTDSVGGF-OAHLLOKOSA-N 3 1 304.482 2.824 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3)C2)[C@@H](C)C1 ZINC000414344239 428262920 /nfs/dbraw/zinc/26/29/20/428262920.db2.gz KIVZSCKUVKEFLM-ZVZYQTTQSA-N 2 1 305.441 2.724 20 0 DFADMP [NH3+]CCN(c1ccc2ccccc2n1)[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414485306 428316657 /nfs/dbraw/zinc/31/66/57/428316657.db2.gz HWXZEAKLLWVYOU-DLBZAZTESA-N 2 1 310.445 2.627 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH2+]C(C)(C)C1 ZINC000352949673 428323692 /nfs/dbraw/zinc/32/36/92/428323692.db2.gz YSUDAASXEPIGOL-UHFFFAOYSA-N 2 1 303.494 2.828 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3C[C@@H](C)O[C@@H]3C)sc2C1 ZINC000414514440 428326602 /nfs/dbraw/zinc/32/66/02/428326602.db2.gz LNNYTHSPVJOVIW-MGPQQGTHSA-N 2 1 323.506 2.813 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3C[C@@H](C)O[C@@H]3C)sc2C1 ZINC000414514440 428326608 /nfs/dbraw/zinc/32/66/08/428326608.db2.gz LNNYTHSPVJOVIW-MGPQQGTHSA-N 2 1 323.506 2.813 20 0 DFADMP c1cc2c(c([C@H]3CCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000346825094 428330889 /nfs/dbraw/zinc/33/08/89/428330889.db2.gz ANVQMNUYKQVDNU-GDBMZVCRSA-N 2 1 302.418 2.594 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000346826743 428334004 /nfs/dbraw/zinc/33/40/04/428334004.db2.gz MNIFVNMOTYQVDD-CGTJXYLNSA-N 2 1 310.445 2.944 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000346832607 428338023 /nfs/dbraw/zinc/33/80/23/428338023.db2.gz LPPJGWASZSFCHY-XIRDDKMYSA-N 2 1 304.482 2.814 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000356857173 428339005 /nfs/dbraw/zinc/33/90/05/428339005.db2.gz BIIBKFPRMAHTQE-UKRRQHHQSA-N 2 1 322.449 2.532 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000356857173 428339010 /nfs/dbraw/zinc/33/90/10/428339010.db2.gz BIIBKFPRMAHTQE-UKRRQHHQSA-N 2 1 322.449 2.532 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000356857172 428339373 /nfs/dbraw/zinc/33/93/73/428339373.db2.gz BIIBKFPRMAHTQE-HIFRSBDPSA-N 2 1 322.449 2.532 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000356857172 428339378 /nfs/dbraw/zinc/33/93/78/428339378.db2.gz BIIBKFPRMAHTQE-HIFRSBDPSA-N 2 1 322.449 2.532 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@H]12 ZINC000346850605 428345573 /nfs/dbraw/zinc/34/55/73/428345573.db2.gz UTBNJAIPKQBPPF-ZYSHUDEJSA-N 2 1 323.440 2.830 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)s1 ZINC000346856848 428348064 /nfs/dbraw/zinc/34/80/64/428348064.db2.gz PRXWJCCCDPNLJX-QEJZJMRPSA-N 2 1 308.495 2.549 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360561731 428350356 /nfs/dbraw/zinc/35/03/56/428350356.db2.gz JUHLGELIRXDXAH-HNNXBMFYSA-N 2 1 314.351 2.770 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1 ZINC000360561731 428350360 /nfs/dbraw/zinc/35/03/60/428350360.db2.gz JUHLGELIRXDXAH-HNNXBMFYSA-N 2 1 314.351 2.770 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360570203 428352863 /nfs/dbraw/zinc/35/28/63/428352863.db2.gz QKSIGHXCDNJXQD-HNNXBMFYSA-N 2 1 314.351 2.770 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@]2(CC[NH2+]C2)C1 ZINC000360570203 428352867 /nfs/dbraw/zinc/35/28/67/428352867.db2.gz QKSIGHXCDNJXQD-HNNXBMFYSA-N 2 1 314.351 2.770 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000342216228 428353701 /nfs/dbraw/zinc/35/37/01/428353701.db2.gz CRXGZWOAVKBCRO-AWEZNQCLSA-N 2 1 310.405 2.513 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000342110513 428303601 /nfs/dbraw/zinc/30/36/01/428303601.db2.gz SMMFRGOUMHPWJG-QAETUUGQSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000342110513 428303606 /nfs/dbraw/zinc/30/36/06/428303606.db2.gz SMMFRGOUMHPWJG-QAETUUGQSA-N 2 1 315.461 2.690 20 0 DFADMP COC(=O)[C@@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@@H]1CCCC2 ZINC000342110126 428303841 /nfs/dbraw/zinc/30/38/41/428303841.db2.gz CVQKWGUBBJCHQY-WMZOPIPTSA-N 2 1 308.466 2.528 20 0 DFADMP CCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000357101757 428388399 /nfs/dbraw/zinc/38/83/99/428388399.db2.gz DSVCZCYYTYITIS-JKSUJKDBSA-N 2 1 304.434 2.525 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1OCC ZINC000357101757 428388406 /nfs/dbraw/zinc/38/84/06/428388406.db2.gz DSVCZCYYTYITIS-JKSUJKDBSA-N 2 1 304.434 2.525 20 0 DFADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414736878 428391684 /nfs/dbraw/zinc/39/16/84/428391684.db2.gz GUIYRSKPEYKKQN-HZPDHXFCSA-N 2 1 324.538 2.579 20 0 DFADMP Cc1cc(NCC[N@@H+]2CCOCC2(C)C)c2cc(F)ccc2[nH+]1 ZINC000360669108 428393620 /nfs/dbraw/zinc/39/36/20/428393620.db2.gz MWVFCBZNPXISHM-UHFFFAOYSA-N 2 1 317.408 2.627 20 0 DFADMP Cc1cc(NCC[N@H+]2CCOCC2(C)C)c2cc(F)ccc2[nH+]1 ZINC000360669108 428393626 /nfs/dbraw/zinc/39/36/26/428393626.db2.gz MWVFCBZNPXISHM-UHFFFAOYSA-N 2 1 317.408 2.627 20 0 DFADMP CCc1ccc(C[N@@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000378437787 428394529 /nfs/dbraw/zinc/39/45/29/428394529.db2.gz XYYYKCJRSBSJKM-HXUWFJFHSA-N 2 1 315.505 2.849 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(SC)cc1OC ZINC000346992259 428396559 /nfs/dbraw/zinc/39/65/59/428396559.db2.gz ANUKAOCDUCOTQJ-YPMHNXCESA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])[C@H](C)C2)c(SC)cc1OC ZINC000346992259 428396563 /nfs/dbraw/zinc/39/65/63/428396563.db2.gz ANUKAOCDUCOTQJ-YPMHNXCESA-N 2 1 310.463 2.595 20 0 DFADMP C[C@H]1Oc2cc(F)ccc2[C@H]1NCc1ncc(C[NH+](C)C)s1 ZINC000342312005 428397886 /nfs/dbraw/zinc/39/78/86/428397886.db2.gz JVZQVSMZWGXGBT-HWPZZCPQSA-N 2 1 321.421 2.956 20 0 DFADMP C[C@@H](C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774061 428400232 /nfs/dbraw/zinc/40/02/32/428400232.db2.gz FDPLXHZQGAUMCE-GOEBONIOSA-N 2 1 306.425 2.617 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1[NH3+] ZINC000346998363 428401596 /nfs/dbraw/zinc/40/15/96/428401596.db2.gz CSJVMEBHCOJIBT-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)CC[C@@H]1[NH3+] ZINC000346998363 428401602 /nfs/dbraw/zinc/40/16/02/428401602.db2.gz CSJVMEBHCOJIBT-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000414773301 428402051 /nfs/dbraw/zinc/40/20/51/428402051.db2.gz DJFAHNYJJAPXLZ-IRXDYDNUSA-N 2 1 304.482 2.731 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357138992 428405857 /nfs/dbraw/zinc/40/58/57/428405857.db2.gz XPDVKLFERFHGKR-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357138992 428405863 /nfs/dbraw/zinc/40/58/63/428405863.db2.gz XPDVKLFERFHGKR-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414785728 428406484 /nfs/dbraw/zinc/40/64/84/428406484.db2.gz TUTJEAGZCHCDRS-ZWKOTPCHSA-N 2 1 314.477 2.503 20 0 DFADMP C[C@H](CCc1ccccc1)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784107 428406625 /nfs/dbraw/zinc/40/66/25/428406625.db2.gz QUBZYKVLJLFSPL-MJGOQNOKSA-N 2 1 316.489 2.943 20 0 DFADMP C[C@@H](Cc1ccccc1)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414785430 428406686 /nfs/dbraw/zinc/40/66/86/428406686.db2.gz SRCYOHSVIBSTEQ-FUHWJXTLSA-N 2 1 302.462 2.553 20 0 DFADMP C[C@@H](CCc1ccccc1)C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784103 428407078 /nfs/dbraw/zinc/40/70/78/428407078.db2.gz QUBZYKVLJLFSPL-HKUYNNGSSA-N 2 1 316.489 2.943 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414785047 428407163 /nfs/dbraw/zinc/40/71/63/428407163.db2.gz SBDRMZWHEKTVEM-JKSUJKDBSA-N 2 1 304.434 2.525 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)s2)CC12CCOCC2 ZINC000414789794 428410362 /nfs/dbraw/zinc/41/03/62/428410362.db2.gz OQNVSEFZRKKNKS-LLVKDONJSA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)s2)CC12CCOCC2 ZINC000414789794 428410367 /nfs/dbraw/zinc/41/03/67/428410367.db2.gz OQNVSEFZRKKNKS-LLVKDONJSA-N 2 1 300.855 2.589 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789271 428410799 /nfs/dbraw/zinc/41/07/99/428410799.db2.gz YHKNACVJYJHUHW-SJORKVTESA-N 2 1 310.445 2.898 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789271 428410805 /nfs/dbraw/zinc/41/08/05/428410805.db2.gz YHKNACVJYJHUHW-SJORKVTESA-N 2 1 310.445 2.898 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789271 428410811 /nfs/dbraw/zinc/41/08/11/428410811.db2.gz YHKNACVJYJHUHW-SJORKVTESA-N 2 1 310.445 2.898 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786696 428411265 /nfs/dbraw/zinc/41/12/65/428411265.db2.gz UTBATBKSSCSWEW-HUUCEWRRSA-N 2 1 304.434 2.525 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414792020 428414527 /nfs/dbraw/zinc/41/45/27/428414527.db2.gz BUVFQRKUMQLYOU-DYVFJYSZSA-N 2 1 303.450 2.854 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NCc1cnn2ccccc12 ZINC000353034291 428364356 /nfs/dbraw/zinc/36/43/56/428364356.db2.gz ARQPBUSQDZOIDO-LPHOPBHVSA-N 2 1 320.440 2.944 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCc1cnn2ccccc12 ZINC000353034291 428364360 /nfs/dbraw/zinc/36/43/60/428364360.db2.gz ARQPBUSQDZOIDO-LPHOPBHVSA-N 2 1 320.440 2.944 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000414664882 428367983 /nfs/dbraw/zinc/36/79/83/428367983.db2.gz CYRDRAJQPHJUOW-NHCYSSNCSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)s1 ZINC000414664882 428367987 /nfs/dbraw/zinc/36/79/87/428367987.db2.gz CYRDRAJQPHJUOW-NHCYSSNCSA-N 2 1 315.280 2.988 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360617851 428371477 /nfs/dbraw/zinc/37/14/77/428371477.db2.gz HICPUPXGRHREMC-GOSISDBHSA-N 2 1 320.452 2.679 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](CCO)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414690219 428374734 /nfs/dbraw/zinc/37/47/34/428374734.db2.gz HKOZDMFVDHMDRL-MDZRGWNJSA-N 2 1 302.462 2.746 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](CCO)[C@@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414690214 428375948 /nfs/dbraw/zinc/37/59/48/428375948.db2.gz HKOZDMFVDHMDRL-GPMSIDNRSA-N 2 1 302.462 2.746 20 0 DFADMP CN(CC[NH3+])C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000414707369 428380296 /nfs/dbraw/zinc/38/02/96/428380296.db2.gz HSRSCRALBKIWJA-UHFFFAOYSA-N 2 1 318.465 2.874 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000414704221 428380629 /nfs/dbraw/zinc/38/06/29/428380629.db2.gz CZGVNHDTGBVGME-SJLPKXTDSA-N 2 1 316.493 2.618 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2[nH]ccc21 ZINC000378367798 428381016 /nfs/dbraw/zinc/38/10/16/428381016.db2.gz DYGBPWZUQLKWBT-LZQZEXGQSA-N 2 1 313.445 2.851 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414701179 428381057 /nfs/dbraw/zinc/38/10/57/428381057.db2.gz UDXZDVMVAUAZMX-FMKPAKJESA-N 2 1 302.418 2.940 20 0 DFADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@@H]([NH3+])CC(C)C)CC2)c1 ZINC000414704628 428381284 /nfs/dbraw/zinc/38/12/84/428381284.db2.gz WGMKZMGVXKULGP-WMZOPIPTSA-N 2 1 319.493 2.747 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2[nH]ccc21 ZINC000378367799 428381392 /nfs/dbraw/zinc/38/13/92/428381392.db2.gz DYGBPWZUQLKWBT-MNEFBYGVSA-N 2 1 313.445 2.851 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414701182 428381734 /nfs/dbraw/zinc/38/17/34/428381734.db2.gz UDXZDVMVAUAZMX-YCPHGPKFSA-N 2 1 302.418 2.940 20 0 DFADMP CCN(C[C@@H]1CC[N@H+](C[C@H]([NH3+])CC(C)C)C1)CC(F)(F)F ZINC000414702568 428382070 /nfs/dbraw/zinc/38/20/70/428382070.db2.gz IQTLRDVBZQYEJU-UONOGXRCSA-N 2 1 309.420 2.566 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](C[C@H]([NH3+])CC(C)C)C1)CC(F)(F)F ZINC000414702568 428382075 /nfs/dbraw/zinc/38/20/75/428382075.db2.gz IQTLRDVBZQYEJU-UONOGXRCSA-N 2 1 309.420 2.566 20 0 DFADMP [NH3+]CCOCC[N@@H+](Cc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000357079845 428382517 /nfs/dbraw/zinc/38/25/17/428382517.db2.gz LPCBOMHPWNEZEK-UHFFFAOYSA-N 2 1 320.433 2.525 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+](C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713720 428383325 /nfs/dbraw/zinc/38/33/25/428383325.db2.gz WQKCFPHJZGOUBZ-ZJUUUORDSA-N 2 1 307.385 2.982 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2nc(C(F)(F)F)cs2)CC[NH2+]1 ZINC000414713720 428383329 /nfs/dbraw/zinc/38/33/29/428383329.db2.gz WQKCFPHJZGOUBZ-ZJUUUORDSA-N 2 1 307.385 2.982 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)C1)CC(F)(F)F ZINC000414711481 428384037 /nfs/dbraw/zinc/38/40/37/428384037.db2.gz SNFJZTPPOZBSAP-KFWWJZLASA-N 2 1 321.431 2.581 20 0 DFADMP C[N@@H+](Cc1ccccc1NC(=O)NCCC[NH3+])C1CCCCC1 ZINC000414713336 428384514 /nfs/dbraw/zinc/38/45/14/428384514.db2.gz OWFVZKFWCUGOPX-UHFFFAOYSA-N 2 1 318.465 2.921 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2C[C@@H](C)O[C@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715348 428384906 /nfs/dbraw/zinc/38/49/06/428384906.db2.gz WINCYHSHUWGTQR-ADAWSYLGSA-N 2 1 306.425 2.976 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN[C@@H]3CCCC[C@H]3C[NH3+])sc2C1 ZINC000414793122 428413841 /nfs/dbraw/zinc/41/38/41/428413841.db2.gz DECBZDJPMIEBNQ-UONOGXRCSA-N 2 1 322.522 2.517 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078578 428435364 /nfs/dbraw/zinc/43/53/64/428435364.db2.gz WCIZIFZAIXTWNR-DZGCQCFKSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000347078578 428435367 /nfs/dbraw/zinc/43/53/67/428435367.db2.gz WCIZIFZAIXTWNR-DZGCQCFKSA-N 2 1 302.397 2.571 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1 ZINC000414854641 428436441 /nfs/dbraw/zinc/43/64/41/428436441.db2.gz ZRIMPOWNSFNRHJ-RHSMWYFYSA-N 2 1 303.450 2.869 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(F)CC[NH2+]C3)cc2)C1 ZINC000372397155 428438038 /nfs/dbraw/zinc/43/80/38/428438038.db2.gz AQFCSSOWMRACEG-KSSFIOAISA-N 2 1 319.424 2.559 20 0 DFADMP COc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1OC ZINC000360791967 428440803 /nfs/dbraw/zinc/44/08/03/428440803.db2.gz RGWIJKYZONTDPO-ZACQAIPSSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1OC ZINC000360791967 428440807 /nfs/dbraw/zinc/44/08/07/428440807.db2.gz RGWIJKYZONTDPO-ZACQAIPSSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)cc1OC ZINC000360791967 428440813 /nfs/dbraw/zinc/44/08/13/428440813.db2.gz RGWIJKYZONTDPO-ZACQAIPSSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc1OC ZINC000360791967 428440819 /nfs/dbraw/zinc/44/08/19/428440819.db2.gz RGWIJKYZONTDPO-ZACQAIPSSA-N 2 1 316.445 2.620 20 0 DFADMP COc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc1OC ZINC000360791967 428440822 /nfs/dbraw/zinc/44/08/22/428440822.db2.gz RGWIJKYZONTDPO-ZACQAIPSSA-N 2 1 316.445 2.620 20 0 DFADMP CC(C)(C)c1n[nH]cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360790846 428440931 /nfs/dbraw/zinc/44/09/31/428440931.db2.gz JUIGTCAZRWEQRQ-PMPSAXMXSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360790846 428440934 /nfs/dbraw/zinc/44/09/34/428440934.db2.gz JUIGTCAZRWEQRQ-PMPSAXMXSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000360790846 428440940 /nfs/dbraw/zinc/44/09/40/428440940.db2.gz JUIGTCAZRWEQRQ-PMPSAXMXSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360790846 428440943 /nfs/dbraw/zinc/44/09/43/428440943.db2.gz JUIGTCAZRWEQRQ-PMPSAXMXSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000360790846 428440949 /nfs/dbraw/zinc/44/09/49/428440949.db2.gz JUIGTCAZRWEQRQ-PMPSAXMXSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCCNC1 ZINC000414873555 428440968 /nfs/dbraw/zinc/44/09/68/428440968.db2.gz YBRWOWBUWREFFF-LSDHHAIUSA-N 2 1 303.450 2.869 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(C)CCOCC3)sc2C1 ZINC000378639811 428445476 /nfs/dbraw/zinc/44/54/76/428445476.db2.gz GKPJBGDOXZJNCA-UHFFFAOYSA-N 2 1 309.479 2.568 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(C)CCOCC3)sc2C1 ZINC000378639811 428445494 /nfs/dbraw/zinc/44/54/94/428445494.db2.gz GKPJBGDOXZJNCA-UHFFFAOYSA-N 2 1 309.479 2.568 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000360863040 428470344 /nfs/dbraw/zinc/47/03/44/428470344.db2.gz YQIQNLJNNWRWAO-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360863040 428470350 /nfs/dbraw/zinc/47/03/50/428470350.db2.gz YQIQNLJNNWRWAO-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360863040 428470356 /nfs/dbraw/zinc/47/03/56/428470356.db2.gz YQIQNLJNNWRWAO-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000360863040 428470362 /nfs/dbraw/zinc/47/03/62/428470362.db2.gz YQIQNLJNNWRWAO-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000360863040 428470366 /nfs/dbraw/zinc/47/03/66/428470366.db2.gz YQIQNLJNNWRWAO-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000357229657 428446018 /nfs/dbraw/zinc/44/60/18/428446018.db2.gz IHWHLZFJQONBFP-IEBWSBKVSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357229657 428446023 /nfs/dbraw/zinc/44/60/23/428446023.db2.gz IHWHLZFJQONBFP-IEBWSBKVSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357229657 428446027 /nfs/dbraw/zinc/44/60/27/428446027.db2.gz IHWHLZFJQONBFP-IEBWSBKVSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104047 428446468 /nfs/dbraw/zinc/44/64/68/428446468.db2.gz KWKIOLLQLDONJM-STQMWFEESA-N 2 1 302.447 2.764 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104047 428446475 /nfs/dbraw/zinc/44/64/75/428446475.db2.gz KWKIOLLQLDONJM-STQMWFEESA-N 2 1 302.447 2.764 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000347106619 428447694 /nfs/dbraw/zinc/44/76/94/428447694.db2.gz LXHJITBSUCUBJC-MRXNPFEDSA-N 2 1 306.450 2.901 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000347106619 428447699 /nfs/dbraw/zinc/44/76/99/428447699.db2.gz LXHJITBSUCUBJC-MRXNPFEDSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@H](C[NH2+]CCC[NH2+]Cc1cccnc1)CC1CCOCC1 ZINC000414888969 428448049 /nfs/dbraw/zinc/44/80/49/428448049.db2.gz YKIJNZSHYXORNJ-INIZCTEOSA-N 2 1 305.466 2.604 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2nc(C3CC3)cs2)CC1 ZINC000342759265 428448139 /nfs/dbraw/zinc/44/81/39/428448139.db2.gz XPCFKDYRLJSMNT-CYBMUJFWSA-N 2 1 323.506 2.545 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)[S@@](C)=O ZINC000357238350 428449966 /nfs/dbraw/zinc/44/99/66/428449966.db2.gz PWUZMBMTBAMQOK-DSZJKHHPSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[S@@](C)=O ZINC000357238350 428449969 /nfs/dbraw/zinc/44/99/69/428449969.db2.gz PWUZMBMTBAMQOK-DSZJKHHPSA-N 2 1 322.518 2.644 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342773921 428451493 /nfs/dbraw/zinc/45/14/93/428451493.db2.gz GKKOMCSKRPNEBO-UHFFFAOYSA-N 2 1 302.466 2.834 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnc(C(C)(C)C)nc2)CC1 ZINC000342773921 428451498 /nfs/dbraw/zinc/45/14/98/428451498.db2.gz GKKOMCSKRPNEBO-UHFFFAOYSA-N 2 1 302.466 2.834 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379655315 428452214 /nfs/dbraw/zinc/45/22/14/428452214.db2.gz LLCUFQLWCSCUJD-ZWKOTPCHSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379656176 428453079 /nfs/dbraw/zinc/45/30/79/428453079.db2.gz OJBCLMKIFQUJRZ-ZFWWWQNUSA-N 2 1 318.383 2.800 20 0 DFADMP C[C@@H](CC[NH2+]C[C@](C)(O)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000379656176 428453084 /nfs/dbraw/zinc/45/30/84/428453084.db2.gz OJBCLMKIFQUJRZ-ZFWWWQNUSA-N 2 1 318.383 2.800 20 0 DFADMP CC[C@H](C[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000353260975 428453982 /nfs/dbraw/zinc/45/39/82/428453982.db2.gz PJRUGIHEYYRVRI-IAGOWNOFSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H](C[NH+]1CCC([N@@H+](C)C[C@@H](C)O)CC1)c1ccccc1 ZINC000353260989 428454402 /nfs/dbraw/zinc/45/44/02/428454402.db2.gz PJRUGIHEYYRVRI-SJORKVTESA-N 2 1 304.478 2.957 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c1 ZINC000414914711 428455156 /nfs/dbraw/zinc/45/51/56/428455156.db2.gz XZMNGUFZUGUPLY-INIZCTEOSA-N 2 1 314.376 2.776 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347125321 428456654 /nfs/dbraw/zinc/45/66/54/428456654.db2.gz YBKWSPFVEVQSKJ-INIZCTEOSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347125321 428456659 /nfs/dbraw/zinc/45/66/59/428456659.db2.gz YBKWSPFVEVQSKJ-INIZCTEOSA-N 2 1 311.429 2.702 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000360834573 428456942 /nfs/dbraw/zinc/45/69/42/428456942.db2.gz JBCSYFRGSXSYCJ-MAUKXSAKSA-N 2 1 302.462 2.845 20 0 DFADMP COc1cc(C[NH2+][C@H](C)C[NH3+])c(-c2ccccc2)cc1OC ZINC000414922078 428458628 /nfs/dbraw/zinc/45/86/28/428458628.db2.gz BUJDQTYHXFXCRB-CYBMUJFWSA-N 2 1 300.402 2.808 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCC[NH2+][C@@H]1C ZINC000414958774 428470787 /nfs/dbraw/zinc/47/07/87/428470787.db2.gz SJPFCDGTCPMLEK-SQWLQELKSA-N 2 1 303.450 2.696 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc(Cl)c1OC ZINC000414936122 428461812 /nfs/dbraw/zinc/46/18/12/428461812.db2.gz BGXNMUNYOARLJE-SMDDNHRTSA-N 2 1 312.841 2.835 20 0 DFADMP CC[C@H](N[C@@H]1CC[N@@H+](C)[C@H](C)C1)c1nnc2n1CCCCC2 ZINC000360850138 428463478 /nfs/dbraw/zinc/46/34/78/428463478.db2.gz BCNFEXHTAWTZIF-KFWWJZLASA-N 2 1 305.470 2.528 20 0 DFADMP CC1([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]CC1 ZINC000414946637 428466039 /nfs/dbraw/zinc/46/60/39/428466039.db2.gz ULSHKVZVUXFVCN-UHFFFAOYSA-N 2 1 301.203 2.820 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000414942464 428466814 /nfs/dbraw/zinc/46/68/14/428466814.db2.gz DNHCKZQGFYNKSQ-JQWIXIFHSA-N 2 1 313.239 2.688 20 0 DFADMP Cc1[nH+]ccn1CCCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000357287493 428467165 /nfs/dbraw/zinc/46/71/65/428467165.db2.gz SKZKOYFMNAFLEK-KRWDZBQOSA-N 2 1 320.481 2.598 20 0 DFADMP CC(C)[C@@H]([NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414800271 428416343 /nfs/dbraw/zinc/41/63/43/428416343.db2.gz SBDDLSZTWMPSIV-IPQPSQTFSA-N 2 1 301.478 2.755 20 0 DFADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414799846 428417082 /nfs/dbraw/zinc/41/70/82/428417082.db2.gz DZVKKRICHIKMKR-LKFCYVNXSA-N 2 1 315.230 2.846 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2nc3cc(Cl)ccc3n2C)CC1 ZINC000347037977 428417456 /nfs/dbraw/zinc/41/74/56/428417456.db2.gz GHGNIIKYMHSBHI-UHFFFAOYSA-N 2 1 306.841 2.658 20 0 DFADMP CCOc1cc(C[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC(F)F ZINC000414811857 428418178 /nfs/dbraw/zinc/41/81/78/428418178.db2.gz WTVFWFXIGLJXKB-LBPRGKRZSA-N 2 1 300.349 2.514 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000414806452 428418500 /nfs/dbraw/zinc/41/85/00/428418500.db2.gz QIWITQDIJPZJKA-SFHVURJKSA-N 2 1 306.413 2.852 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045947 428422829 /nfs/dbraw/zinc/42/28/29/428422829.db2.gz GTVPQSVSPMSTRP-KBAYOESNSA-N 2 1 322.880 2.660 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045947 428422834 /nfs/dbraw/zinc/42/28/34/428422834.db2.gz GTVPQSVSPMSTRP-KBAYOESNSA-N 2 1 322.880 2.660 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@H]21 ZINC000347045947 428422838 /nfs/dbraw/zinc/42/28/38/428422838.db2.gz GTVPQSVSPMSTRP-KBAYOESNSA-N 2 1 322.880 2.660 20 0 DFADMP FC(F)(F)CCN1CCC([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000378553125 428425417 /nfs/dbraw/zinc/42/54/17/428425417.db2.gz SDEBEJOXBNFSRY-GJZGRUSLSA-N 2 1 319.415 2.620 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000378553125 428425422 /nfs/dbraw/zinc/42/54/22/428425422.db2.gz SDEBEJOXBNFSRY-GJZGRUSLSA-N 2 1 319.415 2.620 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000378553125 428425424 /nfs/dbraw/zinc/42/54/24/428425424.db2.gz SDEBEJOXBNFSRY-GJZGRUSLSA-N 2 1 319.415 2.620 20 0 DFADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000347054468 428426491 /nfs/dbraw/zinc/42/64/91/428426491.db2.gz SVSUCUKNQWWQMF-XYPWUTKMSA-N 2 1 304.434 2.809 20 0 DFADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)ccc1OC ZINC000347054468 428426496 /nfs/dbraw/zinc/42/64/96/428426496.db2.gz SVSUCUKNQWWQMF-XYPWUTKMSA-N 2 1 304.434 2.809 20 0 DFADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000414831138 428428441 /nfs/dbraw/zinc/42/84/41/428428441.db2.gz PPELVLMRTMMMGY-FIBJEGPVSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000414831138 428428444 /nfs/dbraw/zinc/42/84/44/428428444.db2.gz PPELVLMRTMMMGY-FIBJEGPVSA-N 2 1 313.489 2.912 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414840231 428429985 /nfs/dbraw/zinc/42/99/85/428429985.db2.gz MURBSBIUHGSUMC-QGZVFWFLSA-N 3 1 301.478 2.630 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000414847706 428431991 /nfs/dbraw/zinc/43/19/91/428431991.db2.gz FXZAFIFUGAEEOB-PBWTXFEYSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000414847706 428431995 /nfs/dbraw/zinc/43/19/95/428431995.db2.gz FXZAFIFUGAEEOB-PBWTXFEYSA-N 2 1 301.478 2.800 20 0 DFADMP FC(F)Oc1cccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000414996513 428482002 /nfs/dbraw/zinc/48/20/02/428482002.db2.gz GLABXUWYQHPXND-NSHDSACASA-N 2 1 306.303 2.622 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414992545 428482948 /nfs/dbraw/zinc/48/29/48/428482948.db2.gz BUHUQYTZBBLNJS-ZWKOTPCHSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414990571 428482998 /nfs/dbraw/zinc/48/29/98/428482998.db2.gz ABVYCUBPJYYFCU-OYSPMZIOSA-N 3 1 319.468 2.639 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347176753 428483127 /nfs/dbraw/zinc/48/31/27/428483127.db2.gz RCQAGUCUHGKZPJ-LBPRGKRZSA-N 2 1 304.825 2.901 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000393736733 428486474 /nfs/dbraw/zinc/48/64/74/428486474.db2.gz AEHVADYKICNDKA-QZTJIDSGSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000393736732 428486592 /nfs/dbraw/zinc/48/65/92/428486592.db2.gz AEHVADYKICNDKA-MSOLQXFVSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000415009192 428487152 /nfs/dbraw/zinc/48/71/52/428487152.db2.gz DXSWCMHLIMOMLM-MRXNPFEDSA-N 3 1 321.484 2.940 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000347186590 428487526 /nfs/dbraw/zinc/48/75/26/428487526.db2.gz BZKARRGQAMMGHG-GDBMZVCRSA-N 2 1 312.417 2.828 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000357338873 428488378 /nfs/dbraw/zinc/48/83/78/428488378.db2.gz BBFPAYWAJSLYSJ-OGWHTMIXSA-N 2 1 302.462 2.769 20 0 DFADMP C[C@H]([NH3+])[C@H](C)[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000415012776 428489297 /nfs/dbraw/zinc/48/92/97/428489297.db2.gz JYPRCPIDJZBZRA-QWRGUYRKSA-N 2 1 312.339 2.716 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@H]1CCOC1 ZINC000360912901 428489946 /nfs/dbraw/zinc/48/99/46/428489946.db2.gz NEYPUARHPPJPOA-BHIYHBOVSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)C[C@H]1CCOC1 ZINC000360912901 428489951 /nfs/dbraw/zinc/48/99/51/428489951.db2.gz NEYPUARHPPJPOA-BHIYHBOVSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)C[C@H]1CCOC1 ZINC000360912901 428489955 /nfs/dbraw/zinc/48/99/55/428489955.db2.gz NEYPUARHPPJPOA-BHIYHBOVSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)C[C@H]1CCOC1 ZINC000360912901 428489959 /nfs/dbraw/zinc/48/99/59/428489959.db2.gz NEYPUARHPPJPOA-BHIYHBOVSA-N 2 1 302.462 2.865 20 0 DFADMP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000415033866 428493133 /nfs/dbraw/zinc/49/31/33/428493133.db2.gz CELHUKZMUSIZHV-WMLDXEAASA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000415033866 428493138 /nfs/dbraw/zinc/49/31/38/428493138.db2.gz CELHUKZMUSIZHV-WMLDXEAASA-N 2 1 304.434 2.668 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cc1)C(C)C ZINC000357353050 428495380 /nfs/dbraw/zinc/49/53/80/428495380.db2.gz WBKGLRZGHBEWOY-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP Fc1ccc(COc2cccc(C[NH2+][C@@H]3[C@H]4C[NH2+]C[C@H]43)c2)cc1 ZINC000415042771 428497124 /nfs/dbraw/zinc/49/71/24/428497124.db2.gz SUAASRSMETWTHY-BWTSREIZSA-N 2 1 312.388 2.712 20 0 DFADMP Fc1cncc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)c1 ZINC000347222066 428499317 /nfs/dbraw/zinc/49/93/17/428499317.db2.gz JPNJXEJJULEBJZ-HNNXBMFYSA-N 2 1 300.381 2.743 20 0 DFADMP CC(C)CCOc1ccc(C[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000415049899 428499710 /nfs/dbraw/zinc/49/97/10/428499710.db2.gz YIQHQDDYZGZEGJ-SFHVURJKSA-N 2 1 306.450 2.580 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000415048719 428500044 /nfs/dbraw/zinc/50/00/44/428500044.db2.gz XGLHXPMNIYRZAB-LCWAXJCOSA-N 3 1 313.489 2.614 20 0 DFADMP COc1cccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1OC ZINC000415053793 428500672 /nfs/dbraw/zinc/50/06/72/428500672.db2.gz PCRZYQWRAYJEOS-ZBFHGGJFSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1OC ZINC000415053793 428500678 /nfs/dbraw/zinc/50/06/78/428500678.db2.gz PCRZYQWRAYJEOS-ZBFHGGJFSA-N 2 1 304.434 2.668 20 0 DFADMP Cc1ccc(C)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415048957 428500975 /nfs/dbraw/zinc/50/09/75/428500975.db2.gz GVZMNVGDBDXANR-UHFFFAOYSA-N 2 1 301.478 2.609 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000396573876 428501295 /nfs/dbraw/zinc/50/12/95/428501295.db2.gz BOENFCLBRXKJDU-MVBLQPKNSA-N 2 1 313.489 2.627 20 0 DFADMP Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)c1 ZINC000415056245 428502847 /nfs/dbraw/zinc/50/28/47/428502847.db2.gz PPXKZEBCSUTXRZ-UHFFFAOYSA-N 2 1 301.478 2.609 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057240 428503551 /nfs/dbraw/zinc/50/35/51/428503551.db2.gz PKTLMSKFYZUZEX-HNBVOPMISA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057240 428503557 /nfs/dbraw/zinc/50/35/57/428503557.db2.gz PKTLMSKFYZUZEX-HNBVOPMISA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057240 428503560 /nfs/dbraw/zinc/50/35/60/428503560.db2.gz PKTLMSKFYZUZEX-HNBVOPMISA-N 2 1 315.505 2.956 20 0 DFADMP C[N@H+](CCC1(O)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000396793696 428504177 /nfs/dbraw/zinc/50/41/77/428504177.db2.gz VDXGZNGSLPNJCE-UHFFFAOYSA-N 2 1 302.462 2.888 20 0 DFADMP C[N@@H+](CCC1(O)CCC1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000396793696 428504184 /nfs/dbraw/zinc/50/41/84/428504184.db2.gz VDXGZNGSLPNJCE-UHFFFAOYSA-N 2 1 302.462 2.888 20 0 DFADMP C1CC1[C@H]1CCCC[C@@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415058100 428505087 /nfs/dbraw/zinc/50/50/87/428505087.db2.gz SJHMCJFJHDTVBO-GMNCBBECSA-N 2 1 305.510 2.761 20 0 DFADMP C[N@H+](Cc1cccc(OCc2ccccn2)c1)C1CC[NH2+]CC1 ZINC000347233570 428505482 /nfs/dbraw/zinc/50/54/82/428505482.db2.gz YZSTUBCOBOAUJH-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP C[N@@H+](Cc1cccc(OCc2ccccn2)c1)C1CC[NH2+]CC1 ZINC000347233570 428505484 /nfs/dbraw/zinc/50/54/84/428505484.db2.gz YZSTUBCOBOAUJH-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP CCCc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415061548 428505645 /nfs/dbraw/zinc/50/56/45/428505645.db2.gz YLGVMKLGAKUPGX-UHFFFAOYSA-N 2 1 315.505 2.945 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000415060321 428506424 /nfs/dbraw/zinc/50/64/24/428506424.db2.gz WGSZDPTZUJTKBZ-OAHLLOKOSA-N 2 1 300.406 2.732 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000372924256 428508310 /nfs/dbraw/zinc/50/83/10/428508310.db2.gz MSVQYGGEIWWELI-QYZOEREBSA-N 2 1 302.462 2.707 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1 ZINC000372924256 428508321 /nfs/dbraw/zinc/50/83/21/428508321.db2.gz MSVQYGGEIWWELI-QYZOEREBSA-N 2 1 302.462 2.707 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@@H]1C[NH3+] ZINC000397349825 428508889 /nfs/dbraw/zinc/50/88/89/428508889.db2.gz HYYPDHZWVYYPMQ-RDBSUJKOSA-N 2 1 323.868 2.974 20 0 DFADMP CC(C)C[C@H]([NH3+])C[NH2+]CCOc1cccc(Br)c1 ZINC000415075825 428510029 /nfs/dbraw/zinc/51/00/29/428510029.db2.gz FPLMYXQUAUFKHO-ZDUSSCGKSA-N 2 1 315.255 2.791 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000415067028 428510556 /nfs/dbraw/zinc/51/05/56/428510556.db2.gz JWOBYIQEBHPFGD-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C(C)(C)n1cncn1 ZINC000353388411 428515692 /nfs/dbraw/zinc/51/56/92/428515692.db2.gz PTFCLYGLOMMULH-HOTGVXAUSA-N 2 1 307.486 2.646 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)ccc1F ZINC000415097261 428518357 /nfs/dbraw/zinc/51/83/57/428518357.db2.gz CMDVZFFWBFEGPJ-NZSAHSFTSA-N 2 1 319.468 2.898 20 0 DFADMP C[C@@H](C[N@@H+]1CCCO[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415104434 428521132 /nfs/dbraw/zinc/52/11/32/428521132.db2.gz GXHWHFYDFATVIZ-WFASDCNBSA-N 2 1 316.367 2.859 20 0 DFADMP C[C@@H](C[N@H+]1CCCO[C@@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415104434 428521135 /nfs/dbraw/zinc/52/11/35/428521135.db2.gz GXHWHFYDFATVIZ-WFASDCNBSA-N 2 1 316.367 2.859 20 0 DFADMP C[C@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050125 428531914 /nfs/dbraw/zinc/53/19/14/428531914.db2.gz UTIOBKHBNLDFEB-GOEBONIOSA-N 2 1 323.481 2.626 20 0 DFADMP CC(C)OC(=O)C[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415113197 428523294 /nfs/dbraw/zinc/52/32/94/428523294.db2.gz WJPZEOZFAHYUEZ-NVXWUHKLSA-N 2 1 304.434 2.659 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000353407704 428524502 /nfs/dbraw/zinc/52/45/02/428524502.db2.gz XPERSOOJNLWADN-PMPSAXMXSA-N 2 1 321.852 2.741 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2)[C@H]2CCC[C@@H]21 ZINC000353407704 428524505 /nfs/dbraw/zinc/52/45/05/428524505.db2.gz XPERSOOJNLWADN-PMPSAXMXSA-N 2 1 321.852 2.741 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000415120885 428526765 /nfs/dbraw/zinc/52/67/65/428526765.db2.gz GMBOPBDQTVQJNV-UKRRQHHQSA-N 2 1 318.852 2.942 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000415120885 428526773 /nfs/dbraw/zinc/52/67/73/428526773.db2.gz GMBOPBDQTVQJNV-UKRRQHHQSA-N 2 1 318.852 2.942 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000415123646 428530364 /nfs/dbraw/zinc/53/03/64/428530364.db2.gz PYXNMUBHQCEYQD-APWZRJJASA-N 2 1 301.478 2.903 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390623787 428472290 /nfs/dbraw/zinc/47/22/90/428472290.db2.gz CRXQRPNIGBONIC-MNIJEXPFSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390623787 428472294 /nfs/dbraw/zinc/47/22/94/428472294.db2.gz CRXQRPNIGBONIC-MNIJEXPFSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390623787 428472299 /nfs/dbraw/zinc/47/22/99/428472299.db2.gz CRXQRPNIGBONIC-MNIJEXPFSA-N 3 1 313.489 2.770 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390722034 428473462 /nfs/dbraw/zinc/47/34/62/428473462.db2.gz ZNCRZESJTLLCJC-DZJYIKFMSA-N 2 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390722034 428473469 /nfs/dbraw/zinc/47/34/69/428473469.db2.gz ZNCRZESJTLLCJC-DZJYIKFMSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390722034 428473476 /nfs/dbraw/zinc/47/34/76/428473476.db2.gz ZNCRZESJTLLCJC-DZJYIKFMSA-N 3 1 313.489 2.899 20 0 DFADMP CC(C)(C)OC(=O)N[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000390801155 428475623 /nfs/dbraw/zinc/47/56/23/428475623.db2.gz OYONFVWERMBTGN-MRXNPFEDSA-N 2 1 323.481 2.506 20 0 DFADMP C[C@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000390806204 428476009 /nfs/dbraw/zinc/47/60/09/428476009.db2.gz JGWKDQQNBVKIIO-CQSZACIVSA-N 2 1 313.486 2.754 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@H]2CCSC2)cc1F ZINC000414968802 428478926 /nfs/dbraw/zinc/47/89/26/428478926.db2.gz YLGIMYSDIDCECD-PVXIVEMSSA-N 2 1 312.429 2.753 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415129407 428532620 /nfs/dbraw/zinc/53/26/20/428532620.db2.gz PJMJXERAFRBDFU-GDBMZVCRSA-N 2 1 306.450 2.901 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000353431158 428532885 /nfs/dbraw/zinc/53/28/85/428532885.db2.gz LAFIGWROIASYMK-ZWKOTPCHSA-N 2 1 321.509 2.728 20 0 DFADMP Clc1csc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415138299 428535244 /nfs/dbraw/zinc/53/52/44/428535244.db2.gz KEKWRBQDPRCGEP-KGLIPLIRSA-N 2 1 312.866 2.602 20 0 DFADMP CC[C@H]1CCC[C@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000415136390 428535899 /nfs/dbraw/zinc/53/58/99/428535899.db2.gz HIGIRUIPYTXUKO-FJIDUMEYSA-N 2 1 306.494 2.903 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439215 428538017 /nfs/dbraw/zinc/53/80/17/428538017.db2.gz IFWIYRYNNKXWKM-ZNMIVQPWSA-N 2 1 306.454 2.591 20 0 DFADMP CC(C)[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@H](C)[NH3+] ZINC000399696524 428541281 /nfs/dbraw/zinc/54/12/81/428541281.db2.gz ZOWSUWDUBDUISO-RYRKJORJSA-N 2 1 319.493 2.633 20 0 DFADMP c1cncc(C[N@H+]2CCC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000373300320 428541902 /nfs/dbraw/zinc/54/19/02/428541902.db2.gz AVFUEQPAGGQQLV-DLBZAZTESA-N 2 1 305.491 2.636 20 0 DFADMP c1cncc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000373300320 428541904 /nfs/dbraw/zinc/54/19/04/428541904.db2.gz AVFUEQPAGGQQLV-DLBZAZTESA-N 2 1 305.491 2.636 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000373307836 428544332 /nfs/dbraw/zinc/54/43/32/428544332.db2.gz YUQFZXWQPNVHIN-QAPCUYQASA-N 2 1 318.465 2.702 20 0 DFADMP C[N@@H+](CCCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456686 428546697 /nfs/dbraw/zinc/54/66/97/428546697.db2.gz WFTAPSKLBFCPSO-XUVXKRRUSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456686 428546704 /nfs/dbraw/zinc/54/67/04/428546704.db2.gz WFTAPSKLBFCPSO-XUVXKRRUSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](CCCN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000353456686 428546711 /nfs/dbraw/zinc/54/67/11/428546711.db2.gz WFTAPSKLBFCPSO-XUVXKRRUSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000361230699 428549940 /nfs/dbraw/zinc/54/99/40/428549940.db2.gz FRMIKPARUDPWJE-WFASDCNBSA-N 2 1 304.459 2.791 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CO1 ZINC000401838024 428559257 /nfs/dbraw/zinc/55/92/57/428559257.db2.gz PLYMDEHWKHAHQP-VAYAGCRFSA-N 2 1 300.446 2.949 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000402708797 428560336 /nfs/dbraw/zinc/56/03/36/428560336.db2.gz RJMJHNKAOUZYTJ-HKUYNNGSSA-N 2 1 324.472 2.828 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353492220 428562739 /nfs/dbraw/zinc/56/27/39/428562739.db2.gz UKKKZGOMLUEIQT-CQSZACIVSA-N 2 1 310.511 2.822 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353492220 428562743 /nfs/dbraw/zinc/56/27/43/428562743.db2.gz UKKKZGOMLUEIQT-CQSZACIVSA-N 2 1 310.511 2.822 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@@H]1CC[NH3+] ZINC000404311289 428565758 /nfs/dbraw/zinc/56/57/58/428565758.db2.gz WPLXBCUCUYVLEB-CZUORRHYSA-N 2 1 307.413 2.604 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000343737668 428571304 /nfs/dbraw/zinc/57/13/04/428571304.db2.gz RNBGPXHLVXFPRC-GOSISDBHSA-N 2 1 315.505 2.904 20 0 DFADMP COCCNc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353513121 428572431 /nfs/dbraw/zinc/57/24/31/428572431.db2.gz FBEQMRSVUYKSTK-GUDVDZBRSA-N 2 1 317.477 2.707 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000353518011 428572918 /nfs/dbraw/zinc/57/29/18/428572918.db2.gz KAUQKPVGJZXJIS-MDNKFWRPSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)[N@H+](C)Cc1ccccc1 ZINC000353518011 428572924 /nfs/dbraw/zinc/57/29/24/428572924.db2.gz KAUQKPVGJZXJIS-MDNKFWRPSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)[N@@H+](C)Cc1ccccc1 ZINC000353518011 428572928 /nfs/dbraw/zinc/57/29/28/428572928.db2.gz KAUQKPVGJZXJIS-MDNKFWRPSA-N 2 1 315.505 2.969 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)C1 ZINC000353526712 428577632 /nfs/dbraw/zinc/57/76/32/428577632.db2.gz RZYLJACTGVPNTB-ZACQAIPSSA-N 2 1 323.525 2.637 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c2ccccc21 ZINC000358352458 428596603 /nfs/dbraw/zinc/59/66/03/428596603.db2.gz JGDZVLGVFVVAFT-IHETXDGRSA-N 2 1 315.461 2.803 20 0 DFADMP CN(C)C(=[NH2+])NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000361802348 428598381 /nfs/dbraw/zinc/59/83/81/428598381.db2.gz BEZBPSXQGIMLEC-DZGCQCFKSA-N 2 1 308.857 2.809 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000373564406 428606322 /nfs/dbraw/zinc/60/63/22/428606322.db2.gz XZFPVLIBLSPEES-ZMSDIMECSA-N 2 1 316.445 2.908 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC[N@H+](C)Cc3ccccc32)s1 ZINC000353591153 428612817 /nfs/dbraw/zinc/61/28/17/428612817.db2.gz WNZLXKRLQOUGBW-UHFFFAOYSA-N 2 1 316.474 2.657 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC[N@@H+](C)Cc3ccccc32)s1 ZINC000353591153 428612823 /nfs/dbraw/zinc/61/28/23/428612823.db2.gz WNZLXKRLQOUGBW-UHFFFAOYSA-N 2 1 316.474 2.657 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000415896629 428619251 /nfs/dbraw/zinc/61/92/51/428619251.db2.gz DRGFRAFZMOYBOV-GJZGRUSLSA-N 2 1 318.465 2.790 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CC=C(C)CC1 ZINC000415911270 428624584 /nfs/dbraw/zinc/62/45/84/428624584.db2.gz DLUJRRRDYYDTQO-UHFFFAOYSA-N 2 1 316.449 2.570 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@]1(C)OCCc2sccc21 ZINC000353621596 428626166 /nfs/dbraw/zinc/62/61/66/428626166.db2.gz KOAXIXUBSJIGSY-SMKXDYDZSA-N 2 1 308.491 2.854 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353623173 428629036 /nfs/dbraw/zinc/62/90/36/428629036.db2.gz ODPVZIIVHPPAAA-CGTJXYLNSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353623173 428629042 /nfs/dbraw/zinc/62/90/42/428629042.db2.gz ODPVZIIVHPPAAA-CGTJXYLNSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353623173 428629048 /nfs/dbraw/zinc/62/90/48/428629048.db2.gz ODPVZIIVHPPAAA-CGTJXYLNSA-N 2 1 324.472 2.767 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)Nc1ccccc1C[NH2+]CC ZINC000415936948 428630618 /nfs/dbraw/zinc/63/06/18/428630618.db2.gz XRDOIGYIESAHEP-INIZCTEOSA-N 2 1 318.465 2.792 20 0 DFADMP COCc1ccc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)o1 ZINC000353647311 428636779 /nfs/dbraw/zinc/63/67/79/428636779.db2.gz RLKNFBUQSUYIFH-UHFFFAOYSA-N 2 1 303.406 2.614 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1 ZINC000415972150 428637893 /nfs/dbraw/zinc/63/78/93/428637893.db2.gz LYOJXJOEZKFJFO-ALOPSCKCSA-N 2 1 316.449 2.543 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972674 428640347 /nfs/dbraw/zinc/64/03/47/428640347.db2.gz ILZWFQVBTFGGKH-MRXNPFEDSA-N 2 1 304.438 2.531 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981531 428640477 /nfs/dbraw/zinc/64/04/77/428640477.db2.gz VWHOVMFGJJLBIW-QGZVFWFLSA-N 2 1 318.465 2.921 20 0 DFADMP COc1c(C)cnc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000377667572 274087897 /nfs/dbraw/zinc/08/78/97/274087897.db2.gz DRHWNADJSPMKOO-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP COc1c(C)cnc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000377667572 274087899 /nfs/dbraw/zinc/08/78/99/274087899.db2.gz DRHWNADJSPMKOO-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000162594011 274127637 /nfs/dbraw/zinc/12/76/37/274127637.db2.gz GKRKXYHUKKAFKC-RHSMWYFYSA-N 2 1 300.446 2.626 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCO2 ZINC000274361850 274133536 /nfs/dbraw/zinc/13/35/36/274133536.db2.gz ILSBSDOJHHUUHS-CPUCHLNUSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CCO2 ZINC000274361850 274133538 /nfs/dbraw/zinc/13/35/38/274133538.db2.gz ILSBSDOJHHUUHS-CPUCHLNUSA-N 2 1 302.418 2.735 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000362194713 428656790 /nfs/dbraw/zinc/65/67/90/428656790.db2.gz KBAJWKWKMDVAOD-IAGOWNOFSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000362194713 428656792 /nfs/dbraw/zinc/65/67/92/428656792.db2.gz KBAJWKWKMDVAOD-IAGOWNOFSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000362194713 428656797 /nfs/dbraw/zinc/65/67/97/428656797.db2.gz KBAJWKWKMDVAOD-IAGOWNOFSA-N 2 1 310.482 2.915 20 0 DFADMP CC[N@H+](CCC1CC[NH+](Cc2nnc(C)n2C)CC1)CC(C)C ZINC000358751718 428658095 /nfs/dbraw/zinc/65/80/95/428658095.db2.gz NWYFRZFDDRHXER-UHFFFAOYSA-N 2 1 321.513 2.704 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C)n2C)CC1)CC(C)C ZINC000358751718 428658097 /nfs/dbraw/zinc/65/80/97/428658097.db2.gz NWYFRZFDDRHXER-UHFFFAOYSA-N 2 1 321.513 2.704 20 0 DFADMP CC1CCC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000344508842 428670529 /nfs/dbraw/zinc/67/05/29/428670529.db2.gz FJLOWZCPTDKNPK-NKELODKYSA-N 2 1 302.462 2.792 20 0 DFADMP CC1CCC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344508842 428670534 /nfs/dbraw/zinc/67/05/34/428670534.db2.gz FJLOWZCPTDKNPK-NKELODKYSA-N 2 1 302.462 2.792 20 0 DFADMP COC(C)(C)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348302565 428700293 /nfs/dbraw/zinc/70/02/93/428700293.db2.gz APWMHSPLVWBGDK-HDICACEKSA-N 2 1 302.462 2.865 20 0 DFADMP COC(C)(C)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348302565 428700297 /nfs/dbraw/zinc/70/02/97/428700297.db2.gz APWMHSPLVWBGDK-HDICACEKSA-N 2 1 302.462 2.865 20 0 DFADMP COC(C)(C)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348302565 428700301 /nfs/dbraw/zinc/70/03/01/428700301.db2.gz APWMHSPLVWBGDK-HDICACEKSA-N 2 1 302.462 2.865 20 0 DFADMP CC[NH+](CC)CCCNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000358843224 428702392 /nfs/dbraw/zinc/70/23/92/428702392.db2.gz YSGZDLHZGYQJLB-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(=O)c(OC)co1 ZINC000348317372 428706459 /nfs/dbraw/zinc/70/64/59/428706459.db2.gz IGNALVRNRBHVHK-ZBFHGGJFSA-N 2 1 322.449 2.639 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000348383607 428724771 /nfs/dbraw/zinc/72/47/71/428724771.db2.gz DPDBMTQPTKYBLP-VMUDFCTBSA-N 2 1 310.869 2.734 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416159128 428678303 /nfs/dbraw/zinc/67/83/03/428678303.db2.gz MHURHIDSLWGOTD-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000374420423 428679136 /nfs/dbraw/zinc/67/91/36/428679136.db2.gz LIKWEUJURPMMCN-NXWXRZEISA-N 2 1 302.462 2.974 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000348262138 428685352 /nfs/dbraw/zinc/68/53/52/428685352.db2.gz NHVNXXFFQWSMJH-NKELODKYSA-N 2 1 302.462 2.617 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]CC2CCC(c3ccccc3)CC2)C1 ZINC000348262138 428685355 /nfs/dbraw/zinc/68/53/55/428685355.db2.gz NHVNXXFFQWSMJH-NKELODKYSA-N 2 1 302.462 2.617 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000344636688 428686547 /nfs/dbraw/zinc/68/65/47/428686547.db2.gz VKRRWTHBCBXSEN-MLGOLLRUSA-N 2 1 302.397 2.788 20 0 DFADMP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000411177985 428753670 /nfs/dbraw/zinc/75/36/70/428753670.db2.gz WSSTWWJLTPSLEV-UHFFFAOYSA-N 2 1 322.474 2.843 20 0 DFADMP CCC[N@@H+](CC(=O)NC)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411189112 428756747 /nfs/dbraw/zinc/75/67/47/428756747.db2.gz SNOYTDIDQNDSIO-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000358997563 428765871 /nfs/dbraw/zinc/76/58/71/428765871.db2.gz VJOQOZJJHLWYOE-OAHLLOKOSA-N 2 1 320.820 2.789 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]Cc2ccc(Cl)o2)C1 ZINC000358997563 428765881 /nfs/dbraw/zinc/76/58/81/428765881.db2.gz VJOQOZJJHLWYOE-OAHLLOKOSA-N 2 1 320.820 2.789 20 0 DFADMP COC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411307499 428776674 /nfs/dbraw/zinc/77/66/74/428776674.db2.gz HHLAEEGCODZBDX-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP COC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CCO1 ZINC000411307499 428776679 /nfs/dbraw/zinc/77/66/79/428776679.db2.gz HHLAEEGCODZBDX-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000345160300 428778177 /nfs/dbraw/zinc/77/81/77/428778177.db2.gz PQSLRUYNCZPXKR-HUUCEWRRSA-N 2 1 303.450 2.804 20 0 DFADMP C[C@H](CC[NH+]1CCO[C@H](C)[C@H]1C)CC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322422 428780829 /nfs/dbraw/zinc/78/08/29/428780829.db2.gz INSWEJFGVGYVOK-UYTYNIKBSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1CCO[C@H](C)[C@@H]1C)CC[N@@H+]1CCO[C@H](C)[C@H]1C ZINC000411322422 428780832 /nfs/dbraw/zinc/78/08/32/428780832.db2.gz INSWEJFGVGYVOK-UYTYNIKBSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1CCO[C@H](C)[C@@H]1C)CC[N@H+]1CCO[C@H](C)[C@H]1C ZINC000411322422 428780835 /nfs/dbraw/zinc/78/08/35/428780835.db2.gz INSWEJFGVGYVOK-UYTYNIKBSA-N 2 1 312.498 2.621 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC000353929456 428782434 /nfs/dbraw/zinc/78/24/34/428782434.db2.gz MMDOHOJBKCWQSD-LUKYLMHMSA-N 2 1 310.482 2.674 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000345176738 428783974 /nfs/dbraw/zinc/78/39/74/428783974.db2.gz RETPPTHETZODQA-UHFFFAOYSA-N 2 1 314.351 2.979 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000353951698 428792349 /nfs/dbraw/zinc/79/23/49/428792349.db2.gz QCJHBQRZIXFCSZ-JKSUJKDBSA-N 2 1 320.481 2.776 20 0 DFADMP C[C@H](CC[NH+]1C[C@@H](C)OC[C@@H]1C)CC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145826 428746285 /nfs/dbraw/zinc/74/62/85/428746285.db2.gz MGWQDQBCPPKQLN-KFGODFMUSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1C[C@H](C)OC[C@@H]1C)CC[N@@H+]1C[C@@H](C)OC[C@@H]1C ZINC000411145826 428746290 /nfs/dbraw/zinc/74/62/90/428746290.db2.gz MGWQDQBCPPKQLN-KFGODFMUSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1C[C@H](C)OC[C@@H]1C)CC[N@H+]1C[C@@H](C)OC[C@@H]1C ZINC000411145826 428746295 /nfs/dbraw/zinc/74/62/95/428746295.db2.gz MGWQDQBCPPKQLN-KFGODFMUSA-N 2 1 312.498 2.621 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2sc(C)nc2C)C1 ZINC000354078469 428850380 /nfs/dbraw/zinc/85/03/80/428850380.db2.gz SBXVPZWNHCXCFV-OAHLLOKOSA-N 2 1 311.495 2.693 20 0 DFADMP CC(C)(C)c1ncc(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)cn1 ZINC000375310024 428851907 /nfs/dbraw/zinc/85/19/07/428851907.db2.gz OTWSLBJSELMJPZ-MRXNPFEDSA-N 2 1 312.417 2.822 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000353985709 428805324 /nfs/dbraw/zinc/80/53/24/428805324.db2.gz DRDSRMDWASQSCL-LJQANCHMSA-N 2 1 316.493 2.510 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000353985709 428805327 /nfs/dbraw/zinc/80/53/27/428805327.db2.gz DRDSRMDWASQSCL-LJQANCHMSA-N 2 1 316.493 2.510 20 0 DFADMP C[C@H](C[S@@](C)=O)[N@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411510916 428808467 /nfs/dbraw/zinc/80/84/67/428808467.db2.gz HLWLTVDTEDQSHR-OPAMFIHVSA-N 2 1 322.518 2.871 20 0 DFADMP C[C@H](C[S@@](C)=O)[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411510916 428808473 /nfs/dbraw/zinc/80/84/73/428808473.db2.gz HLWLTVDTEDQSHR-OPAMFIHVSA-N 2 1 322.518 2.871 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000375171239 428816085 /nfs/dbraw/zinc/81/60/85/428816085.db2.gz NMCVMRQBPWRWPH-DLBZAZTESA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000375171239 428816087 /nfs/dbraw/zinc/81/60/87/428816087.db2.gz NMCVMRQBPWRWPH-DLBZAZTESA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000375171239 428816092 /nfs/dbraw/zinc/81/60/92/428816092.db2.gz NMCVMRQBPWRWPH-DLBZAZTESA-N 2 1 321.465 2.757 20 0 DFADMP Cc1noc(C)c1CO[C@@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000375171239 428816099 /nfs/dbraw/zinc/81/60/99/428816099.db2.gz NMCVMRQBPWRWPH-DLBZAZTESA-N 2 1 321.465 2.757 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354016573 428822239 /nfs/dbraw/zinc/82/22/39/428822239.db2.gz AGAANSBXGUDCLS-LPHOPBHVSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354016573 428822244 /nfs/dbraw/zinc/82/22/44/428822244.db2.gz AGAANSBXGUDCLS-LPHOPBHVSA-N 2 1 319.468 2.592 20 0 DFADMP C[C@@H](C[NH+]1CCCCC1)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000359119216 428826156 /nfs/dbraw/zinc/82/61/56/428826156.db2.gz WYSYUTIEZLJGJD-AWEZNQCLSA-N 2 1 321.431 2.867 20 0 DFADMP Cc1cccc2ncc(C[N@H+]3CCSC4(CCOCC4)C3)n21 ZINC000375227707 428826166 /nfs/dbraw/zinc/82/61/66/428826166.db2.gz DECIYRHFTDTDMT-UHFFFAOYSA-N 2 1 317.458 2.741 20 0 DFADMP Cc1cccc2ncc(CN3CCSC4(CCOCC4)C3)n21 ZINC000375227707 428826172 /nfs/dbraw/zinc/82/61/72/428826172.db2.gz DECIYRHFTDTDMT-UHFFFAOYSA-N 2 1 317.458 2.741 20 0 DFADMP Cc1ccsc1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354025399 428828095 /nfs/dbraw/zinc/82/80/95/428828095.db2.gz CYQYTDLPOZCZBW-CVEARBPZSA-N 2 1 307.507 2.514 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+]1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029545 428831271 /nfs/dbraw/zinc/83/12/71/428831271.db2.gz TYFLIQRIKGMWAF-HZPDHXFCSA-N 2 1 310.482 2.818 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@H+]1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029545 428831276 /nfs/dbraw/zinc/83/12/76/428831276.db2.gz TYFLIQRIKGMWAF-HZPDHXFCSA-N 2 1 310.482 2.818 20 0 DFADMP CC1CCC(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000354037638 428832652 /nfs/dbraw/zinc/83/26/52/428832652.db2.gz JEOBDCTVNYEFPL-JWHDQAAXSA-N 2 1 307.526 2.771 20 0 DFADMP Cc1ccoc1C[NH+]1CCN(C2CC[NH+](C(C)C)CC2)CC1 ZINC000354033086 428832725 /nfs/dbraw/zinc/83/27/25/428832725.db2.gz HWGLGOYMEBAAFU-UHFFFAOYSA-N 2 1 305.466 2.578 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(C)cs2)CC1 ZINC000354035636 428833048 /nfs/dbraw/zinc/83/30/48/428833048.db2.gz ZYPBBPVJGRRUJB-UHFFFAOYSA-N 2 1 311.495 2.774 20 0 DFADMP C[C@H]1[C@H](CO)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655145 428834361 /nfs/dbraw/zinc/83/43/61/428834361.db2.gz IRJNUZVFKSSLAE-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP CC(C)c1nccn1CCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000345500172 428910579 /nfs/dbraw/zinc/91/05/79/428910579.db2.gz CYYAFWAZVPNJCJ-IYBDPMFKSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000345500172 428910583 /nfs/dbraw/zinc/91/05/83/428910583.db2.gz CYYAFWAZVPNJCJ-IYBDPMFKSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000345500172 428910587 /nfs/dbraw/zinc/91/05/87/428910587.db2.gz CYYAFWAZVPNJCJ-IYBDPMFKSA-N 2 1 320.481 2.776 20 0 DFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000354087755 428855062 /nfs/dbraw/zinc/85/50/62/428855062.db2.gz FSJACMLIPKXYQW-QGZVFWFLSA-N 2 1 300.446 2.785 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc3c(c2)CCO3)C1 ZINC000354087755 428855067 /nfs/dbraw/zinc/85/50/67/428855067.db2.gz FSJACMLIPKXYQW-QGZVFWFLSA-N 2 1 300.446 2.785 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000354087755 428855073 /nfs/dbraw/zinc/85/50/73/428855073.db2.gz FSJACMLIPKXYQW-QGZVFWFLSA-N 2 1 300.446 2.785 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)CCO3)C1 ZINC000354087755 428855079 /nfs/dbraw/zinc/85/50/79/428855079.db2.gz FSJACMLIPKXYQW-QGZVFWFLSA-N 2 1 300.446 2.785 20 0 DFADMP C[N@H+](CCC1CC[NH2+]CC1)Cc1nc(C(F)(F)F)cs1 ZINC000359183609 428855112 /nfs/dbraw/zinc/85/51/12/428855112.db2.gz AYUCQSUUVYVDKO-UHFFFAOYSA-N 2 1 307.385 2.983 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)Cc1nc(C(F)(F)F)cs1 ZINC000359183609 428855117 /nfs/dbraw/zinc/85/51/17/428855117.db2.gz AYUCQSUUVYVDKO-UHFFFAOYSA-N 2 1 307.385 2.983 20 0 DFADMP CC(CC[NH+]1C[C@@H]2C[C@H]1CS2)CC[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000411814578 428863628 /nfs/dbraw/zinc/86/36/28/428863628.db2.gz CUGJJPHFDVUMDY-VGWMRTNUSA-N 2 1 312.548 2.782 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000359212699 428866665 /nfs/dbraw/zinc/86/66/65/428866665.db2.gz DZUHXNWSQVRSBL-SFHVURJKSA-N 2 1 315.461 2.504 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2C)c(C)n1 ZINC000359220238 428873461 /nfs/dbraw/zinc/87/34/61/428873461.db2.gz FWEMJRFNCSCKOW-MRXNPFEDSA-N 2 1 314.433 2.877 20 0 DFADMP c1ccc2c(c1)CO[C@@]21CCC[N@@H+](CCC[NH+]2CCCC2)C1 ZINC000375395931 428873459 /nfs/dbraw/zinc/87/34/59/428873459.db2.gz ZDJBOWRCHNUEDU-LJQANCHMSA-N 2 1 300.446 2.994 20 0 DFADMP c1ccc2c(c1)CO[C@@]21CCC[N@H+](CCC[NH+]2CCCC2)C1 ZINC000375395931 428873464 /nfs/dbraw/zinc/87/34/64/428873464.db2.gz ZDJBOWRCHNUEDU-LJQANCHMSA-N 2 1 300.446 2.994 20 0 DFADMP C[C@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@H](c2ccc(F)cc2)O1 ZINC000359229806 428878436 /nfs/dbraw/zinc/87/84/36/428878436.db2.gz ZLBSROOEQIBEPZ-KBXCAEBGSA-N 2 1 306.425 2.977 20 0 DFADMP C[N@H+]1CCC[C@H](CNCC(=O)NC(C)(C)C)[C@H]1c1ccccc1 ZINC000375450691 428887327 /nfs/dbraw/zinc/88/73/27/428887327.db2.gz ZZMPURNCELEDQV-SJLPKXTDSA-N 2 1 317.477 2.574 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H]1c1ccccc1 ZINC000375450691 428887333 /nfs/dbraw/zinc/88/73/33/428887333.db2.gz ZZMPURNCELEDQV-SJLPKXTDSA-N 2 1 317.477 2.574 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]CC(=O)NC(C)(C)C)[C@H]1c1ccccc1 ZINC000375450691 428887335 /nfs/dbraw/zinc/88/73/35/428887335.db2.gz ZZMPURNCELEDQV-SJLPKXTDSA-N 2 1 317.477 2.574 20 0 DFADMP Cn1nccc1CC[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375495650 428899696 /nfs/dbraw/zinc/89/96/96/428899696.db2.gz OQHNNOSBEFNYTA-IEBWSBKVSA-N 2 1 312.461 2.635 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984833 428902797 /nfs/dbraw/zinc/90/27/97/428902797.db2.gz NGCDORXRBQWCIQ-RBUKOAKNSA-N 2 1 314.473 2.711 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984833 428902801 /nfs/dbraw/zinc/90/28/01/428902801.db2.gz NGCDORXRBQWCIQ-RBUKOAKNSA-N 2 1 314.473 2.711 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984833 428902805 /nfs/dbraw/zinc/90/28/05/428902805.db2.gz NGCDORXRBQWCIQ-RBUKOAKNSA-N 2 1 314.473 2.711 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984833 428902806 /nfs/dbraw/zinc/90/28/06/428902806.db2.gz NGCDORXRBQWCIQ-RBUKOAKNSA-N 2 1 314.473 2.711 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)[C@H]1C ZINC000354182971 428903796 /nfs/dbraw/zinc/90/37/96/428903796.db2.gz VJZJBQUHMWNLMO-ZXLDYLNASA-N 2 1 324.509 2.920 20 0 DFADMP CC(=O)CC[N@H+]1CC[C@@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363324090 428905599 /nfs/dbraw/zinc/90/55/99/428905599.db2.gz JKTREJLNEUHUMR-LJQANCHMSA-N 2 1 300.446 2.954 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000359310596 428913799 /nfs/dbraw/zinc/91/37/99/428913799.db2.gz JVACDXWTKGXPEH-UFYCRDLUSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC[C@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000359310596 428913807 /nfs/dbraw/zinc/91/38/07/428913807.db2.gz JVACDXWTKGXPEH-UFYCRDLUSA-N 2 1 314.473 2.792 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccc(Cl)o1 ZINC000349077894 428914253 /nfs/dbraw/zinc/91/42/53/428914253.db2.gz QPBXBXFGIJSGIG-CQSZACIVSA-N 2 1 313.873 2.781 20 0 DFADMP CC[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1occc1C ZINC000412028402 428914648 /nfs/dbraw/zinc/91/46/48/428914648.db2.gz RZNQRDAVLFQZFF-UHFFFAOYSA-N 2 1 307.482 2.826 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)COC(C)C)CC2)oc1C ZINC000375591540 428918919 /nfs/dbraw/zinc/91/89/19/428918919.db2.gz NRFWATWJPDZLKZ-CQSZACIVSA-N 2 1 323.481 2.907 20 0 DFADMP CCc1nccc([C@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363459870 428919888 /nfs/dbraw/zinc/91/98/88/428919888.db2.gz SSXOBOPLVQOZQM-INIZCTEOSA-N 2 1 302.466 2.704 20 0 DFADMP CCc1nccc([C@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363459870 428919894 /nfs/dbraw/zinc/91/98/94/428919894.db2.gz SSXOBOPLVQOZQM-INIZCTEOSA-N 2 1 302.466 2.704 20 0 DFADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+]([C@@H]2CCOC2)CC3)cc1 ZINC000375674162 428940944 /nfs/dbraw/zinc/94/09/44/428940944.db2.gz SEVFXFFBWUWXKU-GOSISDBHSA-N 2 1 300.446 2.763 20 0 DFADMP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000363572902 428944492 /nfs/dbraw/zinc/94/44/92/428944492.db2.gz KXXUILVPPDCKJD-IHPCNDPISA-N 2 1 324.472 2.772 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[N@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000363572902 428944509 /nfs/dbraw/zinc/94/45/09/428944509.db2.gz KXXUILVPPDCKJD-IHPCNDPISA-N 2 1 324.472 2.772 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[N@@H+](C)[C@@H](c3ccccc3)[C@H]2C1 ZINC000363572902 428944513 /nfs/dbraw/zinc/94/45/13/428944513.db2.gz KXXUILVPPDCKJD-IHPCNDPISA-N 2 1 324.472 2.772 20 0 DFADMP CCn1cc(CC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000375698765 428946496 /nfs/dbraw/zinc/94/64/96/428946496.db2.gz SQLAJAZYOJRIMW-IBGZPJMESA-N 2 1 318.509 2.889 20 0 DFADMP CCn1cc(CC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cn1 ZINC000375698765 428946501 /nfs/dbraw/zinc/94/65/01/428946501.db2.gz SQLAJAZYOJRIMW-IBGZPJMESA-N 2 1 318.509 2.889 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC000354273318 428949416 /nfs/dbraw/zinc/94/94/16/428949416.db2.gz KZVWYBXFWNHOQI-ROUUACIJSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354273318 428949420 /nfs/dbraw/zinc/94/94/20/428949420.db2.gz KZVWYBXFWNHOQI-ROUUACIJSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354273318 428949424 /nfs/dbraw/zinc/94/94/24/428949424.db2.gz KZVWYBXFWNHOQI-ROUUACIJSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000354273316 428949581 /nfs/dbraw/zinc/94/95/81/428949581.db2.gz KZVWYBXFWNHOQI-QZTJIDSGSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354273316 428949585 /nfs/dbraw/zinc/94/95/85/428949585.db2.gz KZVWYBXFWNHOQI-QZTJIDSGSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354273316 428949590 /nfs/dbraw/zinc/94/95/90/428949590.db2.gz KZVWYBXFWNHOQI-QZTJIDSGSA-N 2 1 321.509 2.632 20 0 DFADMP CCOC1CC(C[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)C1 ZINC000375716361 428951563 /nfs/dbraw/zinc/95/15/63/428951563.db2.gz JVWRVQPBZQTUTR-GTPINHCMSA-N 2 1 303.450 2.939 20 0 DFADMP CCOC1CC(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)C1 ZINC000375716361 428951567 /nfs/dbraw/zinc/95/15/67/428951567.db2.gz JVWRVQPBZQTUTR-GTPINHCMSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1ccc(OC(F)F)c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000363605336 428953761 /nfs/dbraw/zinc/95/37/61/428953761.db2.gz DMZOJPPDBYNMMT-ZDUSSCGKSA-N 2 1 307.344 2.898 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000412093844 428953766 /nfs/dbraw/zinc/95/37/66/428953766.db2.gz PAXCEXMDMQIAAO-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1cc2c(c(OC)c1)OCO2 ZINC000349342944 428964873 /nfs/dbraw/zinc/96/48/73/428964873.db2.gz FMUXVHFIXYIHGE-UHFFFAOYSA-N 2 1 308.422 2.588 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1cc2c(c(OC)c1)OCO2 ZINC000349342944 428964876 /nfs/dbraw/zinc/96/48/76/428964876.db2.gz FMUXVHFIXYIHGE-UHFFFAOYSA-N 2 1 308.422 2.588 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000375763219 428966842 /nfs/dbraw/zinc/96/68/42/428966842.db2.gz JFRMJNKNPVLZEU-MRXNPFEDSA-N 2 1 321.428 2.790 20 0 DFADMP C[N@@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000423822874 429030076 /nfs/dbraw/zinc/03/00/76/429030076.db2.gz JBRXQAQWYHBMDH-RRFJBIMHSA-N 2 1 323.868 2.575 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1ccc(Cl)cc1 ZINC000423822874 429030081 /nfs/dbraw/zinc/03/00/81/429030081.db2.gz JBRXQAQWYHBMDH-RRFJBIMHSA-N 2 1 323.868 2.575 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CCCC[NH2+]C2)C3)cc1 ZINC000423556139 428972746 /nfs/dbraw/zinc/97/27/46/428972746.db2.gz MMZHBQPDIQMRMM-LWYYNNOASA-N 3 1 313.489 2.914 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)Nc1cccc(-n2cc[nH+]c2C)n1 ZINC000363721270 428977490 /nfs/dbraw/zinc/97/74/90/428977490.db2.gz JWWXLSKJGSLZLC-OAHLLOKOSA-N 2 1 315.465 3.498 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CS1 ZINC000433025214 428979363 /nfs/dbraw/zinc/97/93/63/428979363.db2.gz IXJIQIYCNQHHCQ-PMPSAXMXSA-N 2 1 300.512 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@H]2CCC[C@@H]21 ZINC000375801274 428980164 /nfs/dbraw/zinc/98/01/64/428980164.db2.gz IPGCTDXWYHCGTI-IKGGRYGDSA-N 2 1 302.466 2.736 20 0 DFADMP C[C@@H]1COCC[N@@H+]1CCSCC[NH+](C)Cc1ccccc1 ZINC000433052637 428985588 /nfs/dbraw/zinc/98/55/88/428985588.db2.gz NDOKURAWYPTXRJ-MRXNPFEDSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@@H]1COCC[N@H+]1CCSCC[NH+](C)Cc1ccccc1 ZINC000433052637 428985602 /nfs/dbraw/zinc/98/56/02/428985602.db2.gz NDOKURAWYPTXRJ-MRXNPFEDSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@@H]1COCC[NH+]1CCSCC[N@H+](C)Cc1ccccc1 ZINC000433052637 428985606 /nfs/dbraw/zinc/98/56/06/428985606.db2.gz NDOKURAWYPTXRJ-MRXNPFEDSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@@H]1COCC[NH+]1CCSCC[N@@H+](C)Cc1ccccc1 ZINC000433052637 428985613 /nfs/dbraw/zinc/98/56/13/428985613.db2.gz NDOKURAWYPTXRJ-MRXNPFEDSA-N 2 1 308.491 2.572 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433051356 428986795 /nfs/dbraw/zinc/98/67/95/428986795.db2.gz GLXIFMUSXWBCGQ-GOSISDBHSA-N 2 1 301.434 2.507 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000433051356 428986798 /nfs/dbraw/zinc/98/67/98/428986798.db2.gz GLXIFMUSXWBCGQ-GOSISDBHSA-N 2 1 301.434 2.507 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)[C@@H](C)C1 ZINC000433079740 428990498 /nfs/dbraw/zinc/99/04/98/428990498.db2.gz YGJSJGODVKTGAY-VHBXLISGSA-N 2 1 316.489 2.863 20 0 DFADMP CC[C@H](C(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000423673714 428992088 /nfs/dbraw/zinc/99/20/88/428992088.db2.gz AFZBMKXEGICFSL-KZNAEPCWSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cncc(F)c1 ZINC000363779604 428992137 /nfs/dbraw/zinc/99/21/37/428992137.db2.gz APZKMOYKMKHMTD-LBTBCDHLSA-N 2 1 321.440 2.761 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)c1cncc(F)c1 ZINC000363779604 428992144 /nfs/dbraw/zinc/99/21/44/428992144.db2.gz APZKMOYKMKHMTD-LBTBCDHLSA-N 2 1 321.440 2.761 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000363788124 428994832 /nfs/dbraw/zinc/99/48/32/428994832.db2.gz WIZBTTLDWGTRQX-YUELXQCFSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000363788124 428994837 /nfs/dbraw/zinc/99/48/37/428994837.db2.gz WIZBTTLDWGTRQX-YUELXQCFSA-N 2 1 309.404 2.616 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000375888801 429007670 /nfs/dbraw/zinc/00/76/70/429007670.db2.gz MWDTWYXUTHOONR-SLFFLAALSA-N 2 1 324.472 2.877 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@@H]1CCCC[C@@H]1[NH3+] ZINC000423760926 429012006 /nfs/dbraw/zinc/01/20/06/429012006.db2.gz OCGWOXCZHIETDQ-RDJZCZTQSA-N 2 1 309.498 2.617 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000423760929 429012199 /nfs/dbraw/zinc/01/21/99/429012199.db2.gz OCGWOXCZHIETDQ-WBVHZDCISA-N 2 1 309.498 2.617 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000423760924 429012346 /nfs/dbraw/zinc/01/23/46/429012346.db2.gz OCGWOXCZHIETDQ-NVXWUHKLSA-N 2 1 309.498 2.617 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccc(I)cc1)[C@H](C)[NH3+] ZINC000423450430 429089108 /nfs/dbraw/zinc/08/91/08/429089108.db2.gz SXIQKMLQLLGRPY-AEJSXWLSSA-N 2 1 318.202 2.678 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423444051 429089141 /nfs/dbraw/zinc/08/91/41/429089141.db2.gz AUMIQRYOOMUIGY-DSLXNQLJSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423444051 429089145 /nfs/dbraw/zinc/08/91/45/429089145.db2.gz AUMIQRYOOMUIGY-DSLXNQLJSA-N 2 1 301.478 2.899 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000423462773 429091206 /nfs/dbraw/zinc/09/12/06/429091206.db2.gz FDBKBWZNNJKHNE-RISCZKNCSA-N 2 1 311.376 2.540 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000423470621 429091711 /nfs/dbraw/zinc/09/17/11/429091711.db2.gz LNGPUGDFEOTHCG-IAAVTCLWSA-N 2 1 319.468 2.591 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000423470177 429092926 /nfs/dbraw/zinc/09/29/26/429092926.db2.gz GONPUQIQYCUSSR-BXUZGUMPSA-N 2 1 311.376 2.540 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CC[C@@H]2CCCO2)C1 ZINC000434494908 429093235 /nfs/dbraw/zinc/09/32/35/429093235.db2.gz QLVNQJRCWZZSGP-CVEARBPZSA-N 2 1 323.506 2.774 20 0 DFADMP Cc1[nH+]ccn1CCCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424127391 429094125 /nfs/dbraw/zinc/09/41/25/429094125.db2.gz CUPHAMZQRDBDTF-QGZVFWFLSA-N 2 1 320.481 2.776 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423475842 429094738 /nfs/dbraw/zinc/09/47/38/429094738.db2.gz KQCUNCQLICKALS-CZUORRHYSA-N 2 1 310.388 2.907 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2O1 ZINC000424129009 429096628 /nfs/dbraw/zinc/09/66/28/429096628.db2.gz FVBBIUPKPGXSAH-CHWSQXEVSA-N 2 1 310.344 2.725 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2O1 ZINC000424129009 429096630 /nfs/dbraw/zinc/09/66/30/429096630.db2.gz FVBBIUPKPGXSAH-CHWSQXEVSA-N 2 1 310.344 2.725 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@@H](CC(C)(C)C)C2)CC1 ZINC000452081157 429051312 /nfs/dbraw/zinc/05/13/12/429051312.db2.gz PWCXFMDHAOCLJJ-INIZCTEOSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423288427 429058889 /nfs/dbraw/zinc/05/88/89/429058889.db2.gz SAUWVROMNLXAHH-NSHDSACASA-N 2 1 301.203 2.902 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423310606 429061298 /nfs/dbraw/zinc/06/12/98/429061298.db2.gz SBVHDTIWHZXPRN-OWYHZJEWSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423310606 429061300 /nfs/dbraw/zinc/06/13/00/429061300.db2.gz SBVHDTIWHZXPRN-OWYHZJEWSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423310606 429061303 /nfs/dbraw/zinc/06/13/03/429061303.db2.gz SBVHDTIWHZXPRN-OWYHZJEWSA-N 3 1 301.478 2.614 20 0 DFADMP [NH3+][C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000423322143 429062381 /nfs/dbraw/zinc/06/23/81/429062381.db2.gz NQPHQMURZRHOHP-UAFMIMERSA-N 2 1 313.489 2.614 20 0 DFADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423311566 429062917 /nfs/dbraw/zinc/06/29/17/429062917.db2.gz BZWNQOWQVQAVNQ-KBPBESRZSA-N 2 1 300.324 2.899 20 0 DFADMP COc1ccc([C@H]2CC[NH2+]C[C@@H]2[NH2+]C2CCC(OC)CC2)cc1 ZINC000423327212 429064547 /nfs/dbraw/zinc/06/45/47/429064547.db2.gz JTEFFOITPGDRIP-AWRGBYNESA-N 2 1 318.461 2.688 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[NH2+]C2)cnn1-c1ccc(F)cc1 ZINC000423324243 429065860 /nfs/dbraw/zinc/06/58/60/429065860.db2.gz AXBKRLNTCAJOPT-JSGCOSHPSA-N 2 1 302.397 2.580 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423328648 429066208 /nfs/dbraw/zinc/06/62/08/429066208.db2.gz OAWGXCHNBLPIND-ZDUSSCGKSA-N 2 1 304.438 2.749 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]34C[C@H]3CC[NH2+]4)cc2)C1 ZINC000423336100 429068034 /nfs/dbraw/zinc/06/80/34/429068034.db2.gz QIAPZWLRCZUVBG-OGWOLHLISA-N 2 1 313.445 2.609 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cc(Br)ccc1F ZINC000423346135 429069739 /nfs/dbraw/zinc/06/97/39/429069739.db2.gz PSLSQYZSARCOOS-NXEZZACHSA-N 2 1 301.203 2.848 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423349676 429070593 /nfs/dbraw/zinc/07/05/93/429070593.db2.gz WDOFYWGSOWVFKW-BXUZGUMPSA-N 2 1 302.340 2.592 20 0 DFADMP Cc1cc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cn2cc[nH+]c12 ZINC000452154709 429072522 /nfs/dbraw/zinc/07/25/22/429072522.db2.gz SVKFFHUXPOJSST-OAHLLOKOSA-N 2 1 300.406 2.846 20 0 DFADMP Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cn2cc[nH+]c12 ZINC000452154709 429072524 /nfs/dbraw/zinc/07/25/24/429072524.db2.gz SVKFFHUXPOJSST-OAHLLOKOSA-N 2 1 300.406 2.846 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC[NH2+]2)cc1 ZINC000423372918 429073759 /nfs/dbraw/zinc/07/37/59/429073759.db2.gz HKGRECBOAMUTBV-WOJBJXKFSA-N 3 1 307.441 2.873 20 0 DFADMP c1ccc([C@H]2C[C@H](NCc3ccc4c(c3)C[NH2+]C4)CC[NH2+]2)cc1 ZINC000423372918 429073763 /nfs/dbraw/zinc/07/37/63/429073763.db2.gz HKGRECBOAMUTBV-WOJBJXKFSA-N 2 1 307.441 2.873 20 0 DFADMP C[C@H]([NH2+][C@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)C1CCOCC1 ZINC000423365604 429074324 /nfs/dbraw/zinc/07/43/24/429074324.db2.gz KOKVRYNKCQSQCQ-QITLCBANSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)CC[NH2+]1 ZINC000423368958 429074350 /nfs/dbraw/zinc/07/43/50/429074350.db2.gz BMAJFUGODONSEC-RWQQGDIJSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)[C@@H]2C)CC[NH2+]1 ZINC000423368958 429074353 /nfs/dbraw/zinc/07/43/53/429074353.db2.gz BMAJFUGODONSEC-RWQQGDIJSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423365773 429075564 /nfs/dbraw/zinc/07/55/64/429075564.db2.gz PSGASNYWUBHJFV-ILXRZTDVSA-N 2 1 303.450 2.557 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423383173 429076316 /nfs/dbraw/zinc/07/63/16/429076316.db2.gz GXPXLNBIJXPRQF-IAGOWNOFSA-N 2 1 317.477 2.655 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000423374612 429076403 /nfs/dbraw/zinc/07/64/03/429076403.db2.gz XGGABPGXCAJCOD-XUWVNRHRSA-N 2 1 317.477 2.803 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423383172 429076859 /nfs/dbraw/zinc/07/68/59/429076859.db2.gz GXPXLNBIJXPRQF-DLBZAZTESA-N 2 1 317.477 2.655 20 0 DFADMP CC[N@@H+](CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1)C(C)C ZINC000423383783 429076962 /nfs/dbraw/zinc/07/69/62/429076962.db2.gz FFNBOWHXCKJVIB-INIZCTEOSA-N 2 1 305.466 2.559 20 0 DFADMP [NH3+][C@H](CC1CCCCC1)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000423379320 429077123 /nfs/dbraw/zinc/07/71/23/429077123.db2.gz XDDDUQAMXLOADM-GOSISDBHSA-N 2 1 321.509 2.761 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000423396343 429079969 /nfs/dbraw/zinc/07/99/69/429079969.db2.gz NRUWEMCKVNPNCH-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000423396343 429079974 /nfs/dbraw/zinc/07/99/74/429079974.db2.gz NRUWEMCKVNPNCH-KCITZHQASA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H](C[NH3+])N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423400987 429082216 /nfs/dbraw/zinc/08/22/16/429082216.db2.gz QPVIQIMSMBVGLR-DSLXNQLJSA-N 2 1 301.478 2.614 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1)C(C)C ZINC000424049169 429082869 /nfs/dbraw/zinc/08/28/69/429082869.db2.gz TULHQHDXMIEBFJ-UHFFFAOYSA-N 2 1 305.466 2.774 20 0 DFADMP COC[C@@]1(C[NH2+][C@@H](C)Cc2coc3ccccc23)CCC[NH2+]1 ZINC000423413235 429083031 /nfs/dbraw/zinc/08/30/31/429083031.db2.gz JVTPRLRUIAUKHM-KSSFIOAISA-N 2 1 302.418 2.722 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c2ccccc2)c(C)c1 ZINC000423409824 429083464 /nfs/dbraw/zinc/08/34/64/429083464.db2.gz QTQDGUGMSJPTJR-YZGWKJHDSA-N 2 1 310.441 2.563 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)CC23CCCCC3)cc1 ZINC000423424424 429085138 /nfs/dbraw/zinc/08/51/38/429085138.db2.gz FNYRDNXFIXHAOR-OAHLLOKOSA-N 2 1 315.461 2.797 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2ccc([C@@H](C)[NH3+])cc2)C[C@@H]1C ZINC000423422327 429085201 /nfs/dbraw/zinc/08/52/01/429085201.db2.gz KXRPTQPHGXKIIT-VBQJREDUSA-N 2 1 303.450 2.651 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@H+]1C1CC1)[NH+]1CCCCC1 ZINC000434443449 429086290 /nfs/dbraw/zinc/08/62/90/429086290.db2.gz YUZGSBKPJGZKBZ-QZTJIDSGSA-N 2 1 321.509 2.630 20 0 DFADMP O=C(NC[C@@H]1CCCC[N@H+]1C1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000434448994 429088054 /nfs/dbraw/zinc/08/80/54/429088054.db2.gz UKDBQSMVCRBRLI-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000434448994 429088057 /nfs/dbraw/zinc/08/80/57/429088057.db2.gz UKDBQSMVCRBRLI-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@@H]1CCCC[NH+]1C1CC1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000434448994 429088059 /nfs/dbraw/zinc/08/80/59/429088059.db2.gz UKDBQSMVCRBRLI-ZWKOTPCHSA-N 2 1 319.493 2.527 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1 ZINC000423448014 429088852 /nfs/dbraw/zinc/08/88/52/429088852.db2.gz POYPHQWWFQWSME-MJBXVCDLSA-N 2 1 306.454 2.947 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430071 429143253 /nfs/dbraw/zinc/14/32/53/429143253.db2.gz YYSMWJQNHMPQTO-CQSZACIVSA-N 2 1 306.454 2.696 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695228 429145568 /nfs/dbraw/zinc/14/55/68/429145568.db2.gz WLDHCYBIEBANDS-CABCVRRESA-N 2 1 322.453 2.617 20 0 DFADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424140710 429098645 /nfs/dbraw/zinc/09/86/45/429098645.db2.gz WOOCOIGAWYIBFM-ROUUACIJSA-N 2 1 323.525 2.865 20 0 DFADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@@H]3[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423496775 429098926 /nfs/dbraw/zinc/09/89/26/429098926.db2.gz XQDGFWRUCYPPIV-KSSFIOAISA-N 2 1 313.445 2.822 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H](C[NH3+])C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000423497083 429099376 /nfs/dbraw/zinc/09/93/76/429099376.db2.gz FYXQYIUIFQDRQE-LZQZEXGQSA-N 2 1 301.478 2.757 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423493858 429099980 /nfs/dbraw/zinc/09/99/80/429099980.db2.gz CGQGNQZLJCDPNL-IVDHNXQLSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000423493858 429099985 /nfs/dbraw/zinc/09/99/85/429099985.db2.gz CGQGNQZLJCDPNL-IVDHNXQLSA-N 2 1 313.489 2.899 20 0 DFADMP CC[N@H+]1CCC[C@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424156196 429100970 /nfs/dbraw/zinc/10/09/70/429100970.db2.gz NZJPULVYHDPODL-SJORKVTESA-N 2 1 309.498 2.665 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)C2 ZINC000423506457 429101333 /nfs/dbraw/zinc/10/13/33/429101333.db2.gz HUDRGLHBTGVUFH-YSIASYRMSA-N 2 1 322.452 2.898 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])C2CCCC2)[C@@H]1Oc1ccccc1 ZINC000423500500 429102160 /nfs/dbraw/zinc/10/21/60/429102160.db2.gz KIGWMLAKZATOPN-OKYOBFRVSA-N 2 1 318.461 2.719 20 0 DFADMP CC[N@@H+](CCNC(=O)CC[C@@H]([NH3+])CC1CCCCC1)C1CC1 ZINC000424162516 429102878 /nfs/dbraw/zinc/10/28/78/429102878.db2.gz WYTUAVURRPDMMI-MRXNPFEDSA-N 2 1 309.498 2.665 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000423507589 429103912 /nfs/dbraw/zinc/10/39/12/429103912.db2.gz JQIMLTOPQYWYLX-QQFBHYJXSA-N 2 1 307.507 2.924 20 0 DFADMP C[C@@H]1CN([C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507378 429104091 /nfs/dbraw/zinc/10/40/91/429104091.db2.gz JSXLSWSVAQWXIT-PIKOESSRSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507378 429104094 /nfs/dbraw/zinc/10/40/94/429104094.db2.gz JSXLSWSVAQWXIT-PIKOESSRSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2CCCN(Cc3ccccc3)[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507378 429104098 /nfs/dbraw/zinc/10/40/98/429104098.db2.gz JSXLSWSVAQWXIT-PIKOESSRSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@H](c1cccc(OCC[NH+](C)C)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423511443 429104245 /nfs/dbraw/zinc/10/42/45/429104245.db2.gz OYCMGIZLUUBVSL-GPMSIDNRSA-N 3 1 319.493 2.605 20 0 DFADMP C[C@@H]1CN([C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507376 429104394 /nfs/dbraw/zinc/10/43/94/429104394.db2.gz JSXLSWSVAQWXIT-LCLWPZTBSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H]2CCCN(Cc3ccccc3)[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507376 429104396 /nfs/dbraw/zinc/10/43/96/429104396.db2.gz JSXLSWSVAQWXIT-LCLWPZTBSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCCN(Cc3ccccc3)[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423507376 429104400 /nfs/dbraw/zinc/10/44/00/429104400.db2.gz JSXLSWSVAQWXIT-LCLWPZTBSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H](c1ccc(OCC[NH+](C)C)cc1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514217 429106205 /nfs/dbraw/zinc/10/62/05/429106205.db2.gz SNLQUVIZOOCTLM-JTDSTZFVSA-N 3 1 319.493 2.605 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423523197 429108433 /nfs/dbraw/zinc/10/84/33/429108433.db2.gz YMTVWSUPJXZDRC-GDAAHCPNSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@H](C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423523197 429108438 /nfs/dbraw/zinc/10/84/38/429108438.db2.gz YMTVWSUPJXZDRC-GDAAHCPNSA-N 2 1 301.478 2.614 20 0 DFADMP COc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000423535020 429110967 /nfs/dbraw/zinc/11/09/67/429110967.db2.gz XASJBETYPUVRKK-XJKSGUPXSA-N 2 1 319.449 2.519 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H](c1ccccc1)C1CCCCC1 ZINC000423530228 429110988 /nfs/dbraw/zinc/11/09/88/429110988.db2.gz YNEGVLACDIIWFA-RTBURBONSA-N 2 1 301.478 2.801 20 0 DFADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000423529256 429111408 /nfs/dbraw/zinc/11/14/08/429111408.db2.gz XOIGNTZWQFKEGH-ROUUACIJSA-N 2 1 305.441 2.550 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424282766 429119475 /nfs/dbraw/zinc/11/94/75/429119475.db2.gz AIFBBAMPHCDMLK-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424287016 429119506 /nfs/dbraw/zinc/11/95/06/429119506.db2.gz IBSHEWRPBOFMQN-CQSZACIVSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1ccc(-n3cccn3)cc1)CC[NH2+]CC2 ZINC000424287529 429120161 /nfs/dbraw/zinc/12/01/61/429120161.db2.gz IXURALVQKRJFFZ-INIZCTEOSA-N 2 1 310.445 2.836 20 0 DFADMP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)C[C@H]2C1 ZINC000424306488 429122515 /nfs/dbraw/zinc/12/25/15/429122515.db2.gz VMYRFYYPFAMZOF-BAMLVTLESA-N 2 1 324.509 2.669 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000424308140 429124535 /nfs/dbraw/zinc/12/45/35/429124535.db2.gz ZFVUDNOVGZIJID-SJLPKXTDSA-N 2 1 316.424 2.538 20 0 DFADMP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000424332847 429127597 /nfs/dbraw/zinc/12/75/97/429127597.db2.gz VPKNQXMLQXBMRJ-OAGGEKHMSA-N 2 1 312.498 2.920 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]CCc1nc(-c2cccc(Cl)c2)no1 ZINC000424339841 429129363 /nfs/dbraw/zinc/12/93/63/429129363.db2.gz WVLAQAKBCKQPDQ-ZIAGYGMSSA-N 2 1 320.824 2.792 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cccc3c1OCCCO3)CC[NH2+]CC2 ZINC000424385089 429133122 /nfs/dbraw/zinc/13/31/22/429133122.db2.gz VVOXKNDKGOETEA-OAHLLOKOSA-N 2 1 316.445 2.812 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424380363 429133602 /nfs/dbraw/zinc/13/36/02/429133602.db2.gz WYVCXNJFUPRODE-FVQBIDKESA-N 2 1 322.449 2.641 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435374379 429133861 /nfs/dbraw/zinc/13/38/61/429133861.db2.gz IMOYDYRQEAZEEU-DOTOQJQBSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000435376561 429137120 /nfs/dbraw/zinc/13/71/20/429137120.db2.gz RQKKVSFMKWVPAM-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP CC[N@H+](Cc1ccc(OC)c(OC)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000435390394 429137657 /nfs/dbraw/zinc/13/76/57/429137657.db2.gz OYDJFDWIRNRCRK-HNNXBMFYSA-N 2 1 322.449 2.676 20 0 DFADMP CC[N@@H+](Cc1ccc(OC)c(OC)c1OC)[C@H]1CCC[NH2+]CC1 ZINC000435390394 429137662 /nfs/dbraw/zinc/13/76/62/429137662.db2.gz OYDJFDWIRNRCRK-HNNXBMFYSA-N 2 1 322.449 2.676 20 0 DFADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435393101 429140164 /nfs/dbraw/zinc/14/01/64/429140164.db2.gz YXRFHYYXFRCTPK-HNNXBMFYSA-N 2 1 312.461 2.950 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000424423036 429140834 /nfs/dbraw/zinc/14/08/34/429140834.db2.gz FPEOHSWOVMCJNI-MRXNPFEDSA-N 2 1 318.465 2.696 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H](c1ccccc1)[NH+](C)C ZINC000487195440 429140926 /nfs/dbraw/zinc/14/09/26/429140926.db2.gz CYSJYPVAGXJRNG-CGTJXYLNSA-N 2 1 317.477 2.668 20 0 DFADMP COc1cc2c(c(C[N@H+](C)[C@H]3CCC[NH2+]CC3)c1)O[C@H](C)C2 ZINC000435447518 429141643 /nfs/dbraw/zinc/14/16/43/429141643.db2.gz PWHMZGOMNWLFRG-CJNGLKHVSA-N 2 1 304.434 2.593 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)c1)O[C@H](C)C2 ZINC000435447518 429141648 /nfs/dbraw/zinc/14/16/48/429141648.db2.gz PWHMZGOMNWLFRG-CJNGLKHVSA-N 2 1 304.434 2.593 20 0 DFADMP c1csc(C[N@H+](CC2CCOCC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435437368 429142442 /nfs/dbraw/zinc/14/24/42/429142442.db2.gz JLGXLSCZLQHKLE-OAHLLOKOSA-N 2 1 321.490 2.514 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(C(=O)N(C)C)cc1 ZINC000494888655 429161600 /nfs/dbraw/zinc/16/16/00/429161600.db2.gz IKOVSDLSCBZWNK-WBAXXEDZSA-N 2 1 315.461 2.666 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000494879508 429161696 /nfs/dbraw/zinc/16/16/96/429161696.db2.gz RJNHPBNRCHEAJF-OAHLLOKOSA-N 2 1 317.477 2.913 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494885035 429161989 /nfs/dbraw/zinc/16/19/89/429161989.db2.gz DDGBSZBJUVPVTR-KRWDZBQOSA-N 2 1 317.477 2.674 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H]1C ZINC000494927287 429165374 /nfs/dbraw/zinc/16/53/74/429165374.db2.gz ZUMFJPZYCBXBFL-GJYPPUQNSA-N 2 1 301.478 2.568 20 0 DFADMP c1ccc(COC2CC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000364072067 429165932 /nfs/dbraw/zinc/16/59/32/429165932.db2.gz HLIMMXILCCEICH-BKVYNOPKSA-N 2 1 300.446 2.951 20 0 DFADMP C[NH2+]CCC[N@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000435870929 429169772 /nfs/dbraw/zinc/16/97/72/429169772.db2.gz QEXJXWYILKARAE-UHFFFAOYSA-N 2 1 314.376 2.871 20 0 DFADMP C[NH2+]CCC[N@@H+](Cc1ccc(OC(F)F)c(OC)c1)C1CC1 ZINC000435870929 429169776 /nfs/dbraw/zinc/16/97/76/429169776.db2.gz QEXJXWYILKARAE-UHFFFAOYSA-N 2 1 314.376 2.871 20 0 DFADMP C[NH2+]CCC[N@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000435881323 429171127 /nfs/dbraw/zinc/17/11/27/429171127.db2.gz OWKGHTOUDDWQFE-UHFFFAOYSA-N 2 1 305.249 2.787 20 0 DFADMP C[NH2+]CCC[N@@H+](CCCO)Cc1ccc(Cl)c(Cl)c1 ZINC000435881323 429171130 /nfs/dbraw/zinc/17/11/30/429171130.db2.gz OWKGHTOUDDWQFE-UHFFFAOYSA-N 2 1 305.249 2.787 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CCCc2c(Cl)cccc21)C[NH+]1CCCC1 ZINC000273400838 275052581 /nfs/dbraw/zinc/05/25/81/275052581.db2.gz NAALBVKCJQWNKJ-GUYCJALGSA-N 2 1 308.853 2.764 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(CCc2ccnn2C)C1 ZINC000364303528 429178079 /nfs/dbraw/zinc/17/80/79/429178079.db2.gz NQFUGDJWSFEHEG-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC000364303528 429178082 /nfs/dbraw/zinc/17/80/82/429178082.db2.gz NQFUGDJWSFEHEG-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC000364303528 429178085 /nfs/dbraw/zinc/17/80/85/429178085.db2.gz NQFUGDJWSFEHEG-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000364303528 429178089 /nfs/dbraw/zinc/17/80/89/429178089.db2.gz NQFUGDJWSFEHEG-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000364303528 429178092 /nfs/dbraw/zinc/17/80/92/429178092.db2.gz NQFUGDJWSFEHEG-IRXDYDNUSA-N 2 1 304.482 2.549 20 0 DFADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@@H]1C ZINC000364338281 429185113 /nfs/dbraw/zinc/18/51/13/429185113.db2.gz ADBIOWDSRNTBGX-JCKWVBRZSA-N 2 1 321.465 2.524 20 0 DFADMP CC(C)OC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364343606 429187681 /nfs/dbraw/zinc/18/76/81/429187681.db2.gz OZRKNKABDRZJNH-AEFFLSMTSA-N 2 1 318.461 2.828 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cc(F)cc(F)c3)C2)CC1 ZINC000436303808 429195264 /nfs/dbraw/zinc/19/52/64/429195264.db2.gz XBHIMOWKIMXSFB-PPUGGXLSSA-N 2 1 324.415 2.911 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC000364482659 429212174 /nfs/dbraw/zinc/21/21/74/429212174.db2.gz JHLDAPCFUJEMBI-JOFJAFTHSA-N 2 1 320.452 2.582 20 0 DFADMP C[C@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000488774019 429199528 /nfs/dbraw/zinc/19/95/28/429199528.db2.gz XIKDQABELYDNOV-IXDOHACOSA-N 2 1 321.509 2.725 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769162 429235327 /nfs/dbraw/zinc/23/53/27/429235327.db2.gz MYJUBQXQMJLUFP-RYUDHWBXSA-N 2 1 318.339 2.633 20 0 DFADMP CC(C)(C)OC(=O)CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000364653345 429242786 /nfs/dbraw/zinc/24/27/86/429242786.db2.gz DWQSAPNQJUUPNB-IXDOHACOSA-N 2 1 322.493 2.915 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(C(C)(C)C)n1 ZINC000364669942 429245738 /nfs/dbraw/zinc/24/57/38/429245738.db2.gz GBOUWZITOIHLDR-CQSZACIVSA-N 2 1 315.465 2.609 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(C(C)(C)C)n1 ZINC000364669942 429245741 /nfs/dbraw/zinc/24/57/41/429245741.db2.gz GBOUWZITOIHLDR-CQSZACIVSA-N 2 1 315.465 2.609 20 0 DFADMP CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCn1ccnc1C ZINC000495709046 429250851 /nfs/dbraw/zinc/25/08/51/429250851.db2.gz YGJIUMMUGWLOJK-INIZCTEOSA-N 2 1 322.453 2.572 20 0 DFADMP CCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000495709046 429250858 /nfs/dbraw/zinc/25/08/58/429250858.db2.gz YGJIUMMUGWLOJK-INIZCTEOSA-N 2 1 322.453 2.572 20 0 DFADMP C[C@@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000456161663 429251496 /nfs/dbraw/zinc/25/14/96/429251496.db2.gz DKDJPGLJRFHAOP-INIZCTEOSA-N 2 1 319.493 2.744 20 0 DFADMP CCN(CC)CC[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364994120 429271387 /nfs/dbraw/zinc/27/13/87/429271387.db2.gz KQRKBPYHFZZHIS-UHFFFAOYSA-N 2 1 304.482 2.572 20 0 DFADMP CC[NH+](CC)CCN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364994120 429271394 /nfs/dbraw/zinc/27/13/94/429271394.db2.gz KQRKBPYHFZZHIS-UHFFFAOYSA-N 2 1 304.482 2.572 20 0 DFADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813741 429272017 /nfs/dbraw/zinc/27/20/17/429272017.db2.gz JECHQUFPCPYJDM-UONOGXRCSA-N 2 1 313.486 2.562 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813741 429272020 /nfs/dbraw/zinc/27/20/20/429272020.db2.gz JECHQUFPCPYJDM-UONOGXRCSA-N 2 1 313.486 2.562 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495817672 429273414 /nfs/dbraw/zinc/27/34/14/429273414.db2.gz OOOSHHZTIDHIIB-ZIAGYGMSSA-N 2 1 313.486 2.560 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495817672 429273415 /nfs/dbraw/zinc/27/34/15/429273415.db2.gz OOOSHHZTIDHIIB-ZIAGYGMSSA-N 2 1 313.486 2.560 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCCCNC2=O)CC1 ZINC000449073352 429324802 /nfs/dbraw/zinc/32/48/02/429324802.db2.gz IJGRZQNOQWOAGB-INIZCTEOSA-N 2 1 323.525 2.924 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000449097131 429330248 /nfs/dbraw/zinc/33/02/48/429330248.db2.gz BRMMXTZHHUBZIV-KRWDZBQOSA-N 2 1 317.477 2.575 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000449106751 429332843 /nfs/dbraw/zinc/33/28/43/429332843.db2.gz JKFIUEQAMOGMSD-FUHWJXTLSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449104130 429333434 /nfs/dbraw/zinc/33/34/34/429333434.db2.gz UHZXTJWAPGRMPH-IXDOHACOSA-N 2 1 310.482 2.567 20 0 DFADMP CC(C)C[C@H](C[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000504438644 429336280 /nfs/dbraw/zinc/33/62/80/429336280.db2.gz NGIJFWYANWGQJS-WOJBJXKFSA-N 2 1 315.505 2.796 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365538600 429336741 /nfs/dbraw/zinc/33/67/41/429336741.db2.gz NPEBTVLJSFXHFB-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365538600 429336745 /nfs/dbraw/zinc/33/67/45/429336745.db2.gz NPEBTVLJSFXHFB-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365538600 429336749 /nfs/dbraw/zinc/33/67/49/429336749.db2.gz NPEBTVLJSFXHFB-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1 ZINC000365538600 429336752 /nfs/dbraw/zinc/33/67/52/429336752.db2.gz NPEBTVLJSFXHFB-QRQLOZEOSA-N 2 1 313.445 2.561 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000365553348 429341082 /nfs/dbraw/zinc/34/10/82/429341082.db2.gz XSKDLHMVTCAMAI-GXTWGEPZSA-N 2 1 318.446 2.543 20 0 DFADMP CC(C)(C)c1ncc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000365562244 429342230 /nfs/dbraw/zinc/34/22/30/429342230.db2.gz ZYTUPNUPQBSATO-GFCCVEGCSA-N 2 1 304.463 2.989 20 0 DFADMP CSCC1CCC([NH2+]CCCC[N@H+]2CCC[C@H]2CO)CC1 ZINC000449146804 429343480 /nfs/dbraw/zinc/34/34/80/429343480.db2.gz DONHLXLFHIOJOE-JCYILVPMSA-N 2 1 314.539 2.735 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000505890102 429343701 /nfs/dbraw/zinc/34/37/01/429343701.db2.gz NKPPOEPIXHNZJA-QGZVFWFLSA-N 2 1 323.525 2.948 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](n2c(C)nc3c2CCCC3)C1)C1CC1 ZINC000425432740 429295407 /nfs/dbraw/zinc/29/54/07/429295407.db2.gz JFBSHVGRMZUEGP-MAUKXSAKSA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)C1CC1 ZINC000425432740 429295410 /nfs/dbraw/zinc/29/54/10/429295410.db2.gz JFBSHVGRMZUEGP-MAUKXSAKSA-N 2 1 303.450 2.742 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1)C1CC1 ZINC000425432740 429295415 /nfs/dbraw/zinc/29/54/15/429295415.db2.gz JFBSHVGRMZUEGP-MAUKXSAKSA-N 2 1 303.450 2.742 20 0 DFADMP O[C@H](C[NH2+]Cc1ccc2c(c1)CCCC2)C[NH+]1CCCCC1 ZINC000490777382 429305523 /nfs/dbraw/zinc/30/55/23/429305523.db2.gz QIEVSGXNKLGEHF-LJQANCHMSA-N 2 1 302.462 2.502 20 0 DFADMP CC(C)OCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000365884046 429396783 /nfs/dbraw/zinc/39/67/83/429396783.db2.gz HPGSVANUMRGXLR-CALCHBBNSA-N 2 1 312.498 2.623 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+]CCC[NH+]2CCC2)cc1OC ZINC000517757591 429397978 /nfs/dbraw/zinc/39/79/78/429397978.db2.gz UBBFAQGJVHNNIY-UHFFFAOYSA-N 2 1 312.841 2.933 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000517795063 429400256 /nfs/dbraw/zinc/40/02/56/429400256.db2.gz FZSDJUCRVBVXAB-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000517795063 429400257 /nfs/dbraw/zinc/40/02/57/429400257.db2.gz FZSDJUCRVBVXAB-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426688335 429408498 /nfs/dbraw/zinc/40/84/98/429408498.db2.gz PRHGYFRSIRPLIS-KRWDZBQOSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC[N@H+]1C ZINC000449170906 429348214 /nfs/dbraw/zinc/34/82/14/429348214.db2.gz JIKSZHDESGZZLN-CXAGYDPISA-N 2 1 316.424 2.799 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2CC(F)(F)C2)[C@@H](C)C1 ZINC000425952309 429354835 /nfs/dbraw/zinc/35/48/35/429354835.db2.gz PAVNAMBISXEIFH-ZFWWWQNUSA-N 2 1 304.425 2.758 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000365665255 429359474 /nfs/dbraw/zinc/35/94/74/429359474.db2.gz FHELSSZFIBMOPX-WDSOQIARSA-N 2 1 305.510 2.691 20 0 DFADMP CCc1noc(C2CCC([N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)CC2)n1 ZINC000514588100 429364595 /nfs/dbraw/zinc/36/45/95/429364595.db2.gz IQKOJCRQHBMJEW-QROZZAMVSA-N 2 1 306.454 2.575 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000491597662 429379051 /nfs/dbraw/zinc/37/90/51/429379051.db2.gz XVMYZYUDANNVFV-OAHLLOKOSA-N 2 1 314.477 2.836 20 0 DFADMP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](C3CCCC3)C2)CCCCC1 ZINC000426364519 429385172 /nfs/dbraw/zinc/38/51/72/429385172.db2.gz ZQADDWDNFLLZEK-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000365849184 429386012 /nfs/dbraw/zinc/38/60/12/429386012.db2.gz SNYNWCMXJJTWPW-KZNAEPCWSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000365849184 429386015 /nfs/dbraw/zinc/38/60/15/429386015.db2.gz SNYNWCMXJJTWPW-KZNAEPCWSA-N 2 1 305.466 2.987 20 0 DFADMP O=C(NC1CC[NH+](C2CCCCC2)CC1)[C@H]1CCC[N@H+]1C1CC1 ZINC000426704057 429410696 /nfs/dbraw/zinc/41/06/96/429410696.db2.gz PAPLFNSMTMYIQV-GOSISDBHSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449325905 429387845 /nfs/dbraw/zinc/38/78/45/429387845.db2.gz QKFDSCNGBVWRTA-XDNAFOTISA-N 2 1 323.525 2.768 20 0 DFADMP COc1cc(F)cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000449324588 429387852 /nfs/dbraw/zinc/38/78/52/429387852.db2.gz GGRCAHFNUAHRNE-INIZCTEOSA-N 2 1 306.425 2.998 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449324387 429387923 /nfs/dbraw/zinc/38/79/23/429387923.db2.gz FAXBGNKHEFDWMI-UHFFFAOYSA-N 2 1 318.440 3.000 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(F)cc1 ZINC000449324387 429387929 /nfs/dbraw/zinc/38/79/29/429387929.db2.gz FAXBGNKHEFDWMI-UHFFFAOYSA-N 2 1 318.440 3.000 20 0 DFADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000457058818 429389073 /nfs/dbraw/zinc/38/90/73/429389073.db2.gz PYOHUOMMXCCTTL-QGZVFWFLSA-N 2 1 321.509 2.774 20 0 DFADMP CC1(C)CCC[NH+]1CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000457058818 429389075 /nfs/dbraw/zinc/38/90/75/429389075.db2.gz PYOHUOMMXCCTTL-QGZVFWFLSA-N 2 1 321.509 2.774 20 0 DFADMP CC1(C)CCC[NH+]1CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000457058818 429389076 /nfs/dbraw/zinc/38/90/76/429389076.db2.gz PYOHUOMMXCCTTL-QGZVFWFLSA-N 2 1 321.509 2.774 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]CC1 ZINC000427290766 429442114 /nfs/dbraw/zinc/44/21/14/429442114.db2.gz WWDMDBMNNXHKGO-IRXDYDNUSA-N 2 1 309.498 2.537 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCC[NH2+]CC2)C1 ZINC000427294463 429444144 /nfs/dbraw/zinc/44/41/44/429444144.db2.gz ITZXTSSOFKVFIX-IAGOWNOFSA-N 2 1 323.525 2.783 20 0 DFADMP Cc1csc(N2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000449560701 429447238 /nfs/dbraw/zinc/44/72/38/429447238.db2.gz OPDLTZCZOQTBMB-MQVJKMGUSA-N 2 1 320.506 2.635 20 0 DFADMP C[C@@H]([NH2+]CCC1(CO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449576863 429453885 /nfs/dbraw/zinc/45/38/85/429453885.db2.gz BUCSWNLLWXEAAB-SJLPKXTDSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCCC1)C1CC1 ZINC000518152591 429411851 /nfs/dbraw/zinc/41/18/51/429411851.db2.gz PXISRTNODUREJZ-LJQANCHMSA-N 2 1 316.489 2.977 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCCC1)C1CC1 ZINC000518152591 429411853 /nfs/dbraw/zinc/41/18/53/429411853.db2.gz PXISRTNODUREJZ-LJQANCHMSA-N 2 1 316.489 2.977 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)CCCCO)sc2C1 ZINC000449424799 429413367 /nfs/dbraw/zinc/41/33/67/429413367.db2.gz GFBBNOKCZGQXQE-ZDUSSCGKSA-N 2 1 311.495 2.550 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)CCCCO)sc2C1 ZINC000449424799 429413370 /nfs/dbraw/zinc/41/33/70/429413370.db2.gz GFBBNOKCZGQXQE-ZDUSSCGKSA-N 2 1 311.495 2.550 20 0 DFADMP C[NH+](C)CC1(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)CCCCC1 ZINC000426781906 429414748 /nfs/dbraw/zinc/41/47/48/429414748.db2.gz DUVMVGYRQQDXIN-ALOPSCKCSA-N 2 1 321.509 2.630 20 0 DFADMP O[C@H]1CCCC[C@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000518383677 429419166 /nfs/dbraw/zinc/41/91/66/429419166.db2.gz OXYWBRKLTRTTGB-WMZOPIPTSA-N 2 1 317.477 2.950 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](SC)C2)CC1 ZINC000449444847 429421413 /nfs/dbraw/zinc/42/14/13/429421413.db2.gz DWFAKDZIXQVSMI-KRWDZBQOSA-N 2 1 319.518 2.766 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)CC(C)(C)O)sc2C1 ZINC000449453050 429423450 /nfs/dbraw/zinc/42/34/50/429423450.db2.gz WBEBNAGYOYENRK-LBPRGKRZSA-N 2 1 311.495 2.549 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)CC(C)(C)O)sc2C1 ZINC000449453050 429423454 /nfs/dbraw/zinc/42/34/54/429423454.db2.gz WBEBNAGYOYENRK-LBPRGKRZSA-N 2 1 311.495 2.549 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCCCC[NH+](C)C1CC1)c1ccccc1 ZINC000457203329 429424669 /nfs/dbraw/zinc/42/46/69/429424669.db2.gz OKPRLFFXQXILHB-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000457203329 429424674 /nfs/dbraw/zinc/42/46/74/429424674.db2.gz OKPRLFFXQXILHB-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000457203329 429424679 /nfs/dbraw/zinc/42/46/79/429424679.db2.gz OKPRLFFXQXILHB-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000427122279 429433240 /nfs/dbraw/zinc/43/32/40/429433240.db2.gz PTDCDCURCPZNSW-VQIMIIECSA-N 2 1 310.445 2.579 20 0 DFADMP CCC[C@@H](C)C[N@@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449504103 429436660 /nfs/dbraw/zinc/43/66/60/429436660.db2.gz QAJNRYCOROOEKU-MJGOQNOKSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@@H](C)C[N@H+]1CCC[C@@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449504103 429436665 /nfs/dbraw/zinc/43/66/65/429436665.db2.gz QAJNRYCOROOEKU-MJGOQNOKSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@@H](C)C[NH+]1CCC[C@@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449504103 429436670 /nfs/dbraw/zinc/43/66/70/429436670.db2.gz QAJNRYCOROOEKU-MJGOQNOKSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[C@@H](C)C[NH+]1CCC[C@@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449504103 429436674 /nfs/dbraw/zinc/43/66/74/429436674.db2.gz QAJNRYCOROOEKU-MJGOQNOKSA-N 2 1 323.525 2.689 20 0 DFADMP Cc1cc(C)c(CNC(=O)NCCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000457504045 429476518 /nfs/dbraw/zinc/47/65/18/429476518.db2.gz MIZVNNOTPMXCPR-MRXNPFEDSA-N 2 1 318.465 2.762 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@H](C)C1 ZINC000449691933 429480745 /nfs/dbraw/zinc/48/07/45/429480745.db2.gz ZBAALBKOAQVZGX-RHSMWYFYSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@H](C)C1 ZINC000449691933 429480749 /nfs/dbraw/zinc/48/07/49/429480749.db2.gz ZBAALBKOAQVZGX-RHSMWYFYSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)C2(C[NH3+])CCC2)cc1)C(C)C ZINC000449689357 429481643 /nfs/dbraw/zinc/48/16/43/429481643.db2.gz ZKQDEYYTRGIRRI-UHFFFAOYSA-N 2 1 317.477 2.870 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1)C(C)C ZINC000449748287 429497963 /nfs/dbraw/zinc/49/79/63/429497963.db2.gz BEFUHCMBKSVNAJ-KRWDZBQOSA-N 2 1 317.477 2.787 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)NC ZINC000449776374 429504772 /nfs/dbraw/zinc/50/47/72/429504772.db2.gz ONBFAMCYEDFUBD-HNNXBMFYSA-N 2 1 311.514 2.780 20 0 DFADMP CN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)c1ccccc1 ZINC000520400784 429512491 /nfs/dbraw/zinc/51/24/91/429512491.db2.gz RRXVKOZOGYNLDF-MJGOQNOKSA-N 2 1 301.478 2.929 20 0 DFADMP CN(CCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccccc1 ZINC000520400784 429512494 /nfs/dbraw/zinc/51/24/94/429512494.db2.gz RRXVKOZOGYNLDF-MJGOQNOKSA-N 2 1 301.478 2.929 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)n1-c1ccccc1 ZINC000366784082 429512643 /nfs/dbraw/zinc/51/26/43/429512643.db2.gz BYDIDCNUFLJYNX-INIZCTEOSA-N 2 1 321.428 2.729 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC[S@@](=O)c2ccccc2)CC1 ZINC000520606894 429523412 /nfs/dbraw/zinc/52/34/12/429523412.db2.gz UENNNBQNAGOWQM-JOCHJYFZSA-N 2 1 322.518 2.846 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CC[C@@H](Oc3ccncc3)C2)o1 ZINC000521336875 429547869 /nfs/dbraw/zinc/54/78/69/429547869.db2.gz NNZZMCULEMTSEO-OAHLLOKOSA-N 2 1 301.390 2.984 20 0 DFADMP CCCc1nc(C)c(CN2CC[C@@H](Oc3ccncc3)C2)o1 ZINC000521336875 429547876 /nfs/dbraw/zinc/54/78/76/429547876.db2.gz NNZZMCULEMTSEO-OAHLLOKOSA-N 2 1 301.390 2.984 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428807241 429553779 /nfs/dbraw/zinc/55/37/79/429553779.db2.gz QOOIJNOZYHRGDI-IBGZPJMESA-N 2 1 318.461 2.535 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](C(=O)OC)(c2ccccc2)C1 ZINC000428807241 429553784 /nfs/dbraw/zinc/55/37/84/429553784.db2.gz QOOIJNOZYHRGDI-IBGZPJMESA-N 2 1 318.461 2.535 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)nc(C)[nH+]1 ZINC000367032660 429561536 /nfs/dbraw/zinc/56/15/36/429561536.db2.gz BMJXSZSRJRXBBS-MWDXBVQZSA-N 2 1 300.450 2.840 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000367058107 429566868 /nfs/dbraw/zinc/56/68/68/429566868.db2.gz PWWXEKKBOGHDLC-QFBILLFUSA-N 2 1 317.477 2.808 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)cc1 ZINC000429107287 429578803 /nfs/dbraw/zinc/57/88/03/429578803.db2.gz AERGCEUGQSKKDS-MRXNPFEDSA-N 2 1 317.477 2.648 20 0 DFADMP Cc1cccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367117425 429581812 /nfs/dbraw/zinc/58/18/12/429581812.db2.gz OXTBIZZWSVBDKK-LJQANCHMSA-N 2 1 301.478 2.595 20 0 DFADMP CCC[C@@H](C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000522136474 429581942 /nfs/dbraw/zinc/58/19/42/429581942.db2.gz BNLUYVHKQFCJDF-CQSZACIVSA-N 2 1 304.438 2.598 20 0 DFADMP CCCCc1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366882602 429533503 /nfs/dbraw/zinc/53/35/03/429533503.db2.gz LJQHPPAOGBZHNY-UHFFFAOYSA-N 2 1 306.454 2.720 20 0 DFADMP CCCCc1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000366882602 429533508 /nfs/dbraw/zinc/53/35/08/429533508.db2.gz LJQHPPAOGBZHNY-UHFFFAOYSA-N 2 1 306.454 2.720 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCC[NH2+]C2)c1 ZINC000521068116 429537939 /nfs/dbraw/zinc/53/79/39/429537939.db2.gz MUBWTRCQKBDKQE-QGZVFWFLSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936619 429541150 /nfs/dbraw/zinc/54/11/50/429541150.db2.gz DSLCWMALTBQIFE-DOTOQJQBSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450392685 429616544 /nfs/dbraw/zinc/61/65/44/429616544.db2.gz OVVXJVQHGYSPAU-HZPDHXFCSA-N 2 1 315.452 2.524 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429628824 429622659 /nfs/dbraw/zinc/62/26/59/429622659.db2.gz TYLAPPKVGOLQGD-HUUCEWRRSA-N 2 1 311.857 2.576 20 0 DFADMP Cc1cc(N(C)CC2CCN(c3cc[nH+]cc3)CC2)nc(C)[nH+]1 ZINC000367342360 429626361 /nfs/dbraw/zinc/62/63/61/429626361.db2.gz MCWYNDTTZAZMBF-UHFFFAOYSA-N 2 1 311.433 2.841 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@@H](C)O)C[C@H]3C)c2c1 ZINC000450452763 429629722 /nfs/dbraw/zinc/62/97/22/429629722.db2.gz ICFLXICAEWGFFC-HUUCEWRRSA-N 2 1 313.445 2.689 20 0 DFADMP C[C@@H](O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000450456788 429632293 /nfs/dbraw/zinc/63/22/93/429632293.db2.gz UKDIUACCQOYUMG-IEBWSBKVSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000450456788 429632297 /nfs/dbraw/zinc/63/22/97/429632297.db2.gz UKDIUACCQOYUMG-IEBWSBKVSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000450456788 429632300 /nfs/dbraw/zinc/63/23/00/429632300.db2.gz UKDIUACCQOYUMG-IEBWSBKVSA-N 2 1 302.462 2.745 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000450478495 429637312 /nfs/dbraw/zinc/63/73/12/429637312.db2.gz GUVUXTWSGHRVEG-WZGPROSRSA-N 2 1 302.462 2.710 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@H](O)[C@H](C)c1ccccc1 ZINC000450478496 429637681 /nfs/dbraw/zinc/63/76/81/429637681.db2.gz GUVUXTWSGHRVEG-YSHGAJCASA-N 2 1 302.462 2.710 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(COc2ccccn2)CC1 ZINC000367215751 429597640 /nfs/dbraw/zinc/59/76/40/429597640.db2.gz MICZDZWABRFJSU-QGZVFWFLSA-N 2 1 303.450 2.657 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)[C@@H](C)c2ccccc2)CC1 ZINC000450340144 429604289 /nfs/dbraw/zinc/60/42/89/429604289.db2.gz UPOBZVYIJRXJLB-QFBILLFUSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429430556 429608781 /nfs/dbraw/zinc/60/87/81/429608781.db2.gz RYBCDTQAWCKBDL-ACJWMLNOSA-N 2 1 320.452 2.610 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccc(F)cc2)[C@@H](C)C1 ZINC000429460199 429609463 /nfs/dbraw/zinc/60/94/63/429609463.db2.gz XENYQWQLLOQGNC-VLQPXKRTSA-N 2 1 320.452 2.612 20 0 DFADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000429491355 429611591 /nfs/dbraw/zinc/61/15/91/429611591.db2.gz KZADRVXMGINFFN-KSSFIOAISA-N 2 1 311.429 2.625 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2CCCCC2(F)F)CC1 ZINC000450373328 429612976 /nfs/dbraw/zinc/61/29/76/429612976.db2.gz TXIQXSJZDGWWCK-UONOGXRCSA-N 2 1 304.425 2.589 20 0 DFADMP c1cc2c(nc[nH+]c2NCc2ccccc2C[NH+]2CCCCC2)[nH]1 ZINC000523702790 429613532 /nfs/dbraw/zinc/61/35/32/429613532.db2.gz BNTMTIKNQNNLKY-UHFFFAOYSA-N 2 1 321.428 3.556 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC000367472274 429658248 /nfs/dbraw/zinc/65/82/48/429658248.db2.gz HNPGRNNZSHUDSJ-SFHVURJKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(-n2ccnn2)c1 ZINC000367490184 429658699 /nfs/dbraw/zinc/65/86/99/429658699.db2.gz NIGVBDWMGNRWNW-UAGQMJEPSA-N 2 1 311.433 2.545 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367517652 429664220 /nfs/dbraw/zinc/66/42/20/429664220.db2.gz CVPGILXNHSZOEU-OKZBNKHCSA-N 2 1 315.461 2.833 20 0 DFADMP CCOC1CC(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)C1 ZINC000367553179 429669696 /nfs/dbraw/zinc/66/96/96/429669696.db2.gz LSPAILLDPWVDTI-CCZBSFLLSA-N 2 1 324.509 2.623 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@H](C)[N@@H+](C)C1CC1)c1ccccc1 ZINC000355662246 276115335 /nfs/dbraw/zinc/11/53/35/276115335.db2.gz YYMMKHGYNSCHMJ-YJBOKZPZSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367583784 429677461 /nfs/dbraw/zinc/67/74/61/429677461.db2.gz FWLIVLSXELEOHR-IXEWLPCDSA-N 2 1 306.425 2.725 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367583784 429677465 /nfs/dbraw/zinc/67/74/65/429677465.db2.gz FWLIVLSXELEOHR-IXEWLPCDSA-N 2 1 306.425 2.725 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367583784 429677467 /nfs/dbraw/zinc/67/74/67/429677467.db2.gz FWLIVLSXELEOHR-IXEWLPCDSA-N 2 1 306.425 2.725 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599899 429681047 /nfs/dbraw/zinc/68/10/47/429681047.db2.gz IMXYIPUWYUGUAZ-OTWHNJEPSA-N 2 1 301.478 2.581 20 0 DFADMP C[N@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599899 429681051 /nfs/dbraw/zinc/68/10/51/429681051.db2.gz IMXYIPUWYUGUAZ-OTWHNJEPSA-N 2 1 301.478 2.581 20 0 DFADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599899 429681053 /nfs/dbraw/zinc/68/10/53/429681053.db2.gz IMXYIPUWYUGUAZ-OTWHNJEPSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CC(C)=C[C@H](C)C3)C2)CC1 ZINC000356219314 276198345 /nfs/dbraw/zinc/19/83/45/276198345.db2.gz GTDDIJJXVKDCGU-QXAKKESOSA-N 2 1 305.510 2.691 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599898 429682646 /nfs/dbraw/zinc/68/26/46/429682646.db2.gz IMXYIPUWYUGUAZ-IPMKNSEASA-N 2 1 301.478 2.581 20 0 DFADMP C[N@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599898 429682650 /nfs/dbraw/zinc/68/26/50/429682650.db2.gz IMXYIPUWYUGUAZ-IPMKNSEASA-N 2 1 301.478 2.581 20 0 DFADMP C[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367599898 429682656 /nfs/dbraw/zinc/68/26/56/429682656.db2.gz IMXYIPUWYUGUAZ-IPMKNSEASA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(s2)CCCC3)[C@@H](C)C1 ZINC000246463495 276228724 /nfs/dbraw/zinc/22/87/24/276228724.db2.gz QBCKWRQHVAFOMT-KBPBESRZSA-N 2 1 307.507 2.884 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000367611164 429685486 /nfs/dbraw/zinc/68/54/86/429685486.db2.gz AMJWTZDAZSSYOS-RNQOJCNYSA-N 2 1 313.489 2.975 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430551789 429688939 /nfs/dbraw/zinc/68/89/39/429688939.db2.gz ISYHTKXJLQYGQZ-ZFWWWQNUSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000430551789 429688941 /nfs/dbraw/zinc/68/89/41/429688941.db2.gz ISYHTKXJLQYGQZ-ZFWWWQNUSA-N 2 1 321.490 2.796 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)[C@@H](C)C1 ZINC000367601030 276316109 /nfs/dbraw/zinc/31/61/09/276316109.db2.gz MAPZPCKRROHCKL-XIRDDKMYSA-N 2 1 320.481 2.514 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)[C@@H](C)C1 ZINC000367601030 276316110 /nfs/dbraw/zinc/31/61/10/276316110.db2.gz MAPZPCKRROHCKL-XIRDDKMYSA-N 2 1 320.481 2.514 20 0 DFADMP Cc1cccn2c(C[N@H+](C)C[C@H]3CCn4cc[nH+]c4C3)cnc12 ZINC000367660189 429693815 /nfs/dbraw/zinc/69/38/15/429693815.db2.gz YRVOUOWGSXIEFL-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1cccn2c(C[N@@H+](C)C[C@H]3CCn4cc[nH+]c4C3)cnc12 ZINC000367660189 429693821 /nfs/dbraw/zinc/69/38/21/429693821.db2.gz YRVOUOWGSXIEFL-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(N)=[NH2+])c1ccc(C(F)(F)F)cc1 ZINC000263992964 276336418 /nfs/dbraw/zinc/33/64/18/276336418.db2.gz WIVDIKIPPLLFJG-LBPRGKRZSA-N 2 1 302.344 2.571 20 0 DFADMP C[N@H+](CC(C)(C)C[NH3+])[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000430575942 429694641 /nfs/dbraw/zinc/69/46/41/429694641.db2.gz LVTBKTPFHDCYPM-OAHLLOKOSA-N 2 1 323.868 2.752 20 0 DFADMP C[N@@H+](CC(C)(C)C[NH3+])[C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000430575942 429694643 /nfs/dbraw/zinc/69/46/43/429694643.db2.gz LVTBKTPFHDCYPM-OAHLLOKOSA-N 2 1 323.868 2.752 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430600126 429701784 /nfs/dbraw/zinc/70/17/84/429701784.db2.gz ABKKQVNGZQXHFU-LBPRGKRZSA-N 2 1 320.824 2.603 20 0 DFADMP C[C@@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(C[NH3+])CC1 ZINC000430605336 429702055 /nfs/dbraw/zinc/70/20/55/429702055.db2.gz QQRYVDRQECQBFA-LBPRGKRZSA-N 2 1 318.396 2.531 20 0 DFADMP C[N@@H+](CCc1nc(-c2cccc(Cl)c2)no1)CC(C)(C)C[NH3+] ZINC000430603657 429702154 /nfs/dbraw/zinc/70/21/54/429702154.db2.gz ZCFUDOHYNTXBBI-UHFFFAOYSA-N 2 1 322.840 2.849 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000430607326 429702243 /nfs/dbraw/zinc/70/22/43/429702243.db2.gz YGBVLATVSKHNFG-ZWKOTPCHSA-N 2 1 317.477 2.766 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000430607326 429702246 /nfs/dbraw/zinc/70/22/46/429702246.db2.gz YGBVLATVSKHNFG-ZWKOTPCHSA-N 2 1 317.477 2.766 20 0 DFADMP C[C@H]1CCCN(c2cc(NC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)ncn2)C1 ZINC000450821972 429706826 /nfs/dbraw/zinc/70/68/26/429706826.db2.gz AQKNXDIUWJOWKT-HNSVSWJLSA-N 2 1 315.465 2.750 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430758720 429714382 /nfs/dbraw/zinc/71/43/82/429714382.db2.gz DGGGSFQNPRKMEH-QBPKDAKJSA-N 2 1 309.498 2.663 20 0 DFADMP CC(C)[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)[NH+]1CCCC1 ZINC000367791667 429716968 /nfs/dbraw/zinc/71/69/68/429716968.db2.gz MBNFYXKLNLXWCG-MRXNPFEDSA-N 2 1 322.522 2.822 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000367809763 429722052 /nfs/dbraw/zinc/72/20/52/429722052.db2.gz JBPBMSQLTNWCBB-HNNXBMFYSA-N 2 1 307.413 2.921 20 0 DFADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(C[NH2+]C)CC1 ZINC000430922126 429723577 /nfs/dbraw/zinc/72/35/77/429723577.db2.gz XNVNGGOTKHCNFC-UHFFFAOYSA-N 2 1 317.477 2.681 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(Oc2ccc(C)cn2)CC1 ZINC000367828308 429725080 /nfs/dbraw/zinc/72/50/80/429725080.db2.gz TUJBVYWJGYUUEA-UHFFFAOYSA-N 2 1 314.433 2.828 20 0 DFADMP CC(C)[C@H]1CC[C@@H](C)C[C@H]1[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000482541097 429726839 /nfs/dbraw/zinc/72/68/39/429726839.db2.gz DRQSRPTWVWCOEI-BRSBDYLESA-N 2 1 323.525 2.624 20 0 DFADMP C[N@@H+](CCOC1CCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367859978 429730990 /nfs/dbraw/zinc/73/09/90/429730990.db2.gz YQVSVZNRZLGGIZ-UHFFFAOYSA-N 2 1 303.450 2.799 20 0 DFADMP C[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000430970875 429732014 /nfs/dbraw/zinc/73/20/14/429732014.db2.gz IWZLTKGQDCXNGX-RISCZKNCSA-N 2 1 320.824 2.602 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H](C(C)(C)C)C2)CC1 ZINC000483237855 429733243 /nfs/dbraw/zinc/73/32/43/429733243.db2.gz BUWCIEJEPGVVFX-INIZCTEOSA-N 2 1 323.525 2.734 20 0 DFADMP CCC[N@H+](CC(=O)N(C(C)C)C1CCCC1)C1CC[NH2+]CC1 ZINC000431067612 429739027 /nfs/dbraw/zinc/73/90/27/429739027.db2.gz RBMNIVCSDNOVBA-UHFFFAOYSA-N 2 1 309.498 2.630 20 0 DFADMP CCC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)C1CC[NH2+]CC1 ZINC000431067612 429739033 /nfs/dbraw/zinc/73/90/33/429739033.db2.gz RBMNIVCSDNOVBA-UHFFFAOYSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1ccccc1[C@H]1C[C@@H](C)[N@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431078686 429739307 /nfs/dbraw/zinc/73/93/07/429739307.db2.gz GRTGZJQPYCIOGI-KGLIPLIRSA-N 2 1 314.433 2.950 20 0 DFADMP CCn1ccnc1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000367901364 429740000 /nfs/dbraw/zinc/74/00/00/429740000.db2.gz GTXPTTSFXOSGKO-UHFFFAOYSA-N 2 1 313.449 2.646 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324962 429743754 /nfs/dbraw/zinc/74/37/54/429743754.db2.gz STBLZNLIDRMJQG-IEBWSBKVSA-N 2 1 324.472 2.990 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432080636 429797838 /nfs/dbraw/zinc/79/78/38/429797838.db2.gz PTVAFTCTGIAOGB-INIZCTEOSA-N 2 1 313.449 2.604 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432080636 429797843 /nfs/dbraw/zinc/79/78/43/429797843.db2.gz PTVAFTCTGIAOGB-INIZCTEOSA-N 2 1 313.449 2.604 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000432080636 429797847 /nfs/dbraw/zinc/79/78/47/429797847.db2.gz PTVAFTCTGIAOGB-INIZCTEOSA-N 2 1 313.449 2.604 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC23CC(C2)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000527787460 429798324 /nfs/dbraw/zinc/79/83/24/429798324.db2.gz CGCBJMPFOSFRFM-WEOZKBJRSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC23CC(C2)CO3)CC[N@H+]1Cc1ccccc1 ZINC000527787460 429798327 /nfs/dbraw/zinc/79/83/27/429798327.db2.gz CGCBJMPFOSFRFM-WEOZKBJRSA-N 2 1 300.446 2.808 20 0 DFADMP CC(C)c1cc(N2CCC([NH+]3CCCC3)CC2)nc(N(C)C)[nH+]1 ZINC000486972383 429757627 /nfs/dbraw/zinc/75/76/27/429757627.db2.gz OWQYIZWHWPBTJP-UHFFFAOYSA-N 2 1 317.481 2.731 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000451070362 429761456 /nfs/dbraw/zinc/76/14/56/429761456.db2.gz OLYJJJJCVTVPDI-QRQLOZEOSA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccs1 ZINC000431572252 429770299 /nfs/dbraw/zinc/77/02/99/429770299.db2.gz SRYZOBFPMJPOQA-HUUCEWRRSA-N 2 1 323.506 2.732 20 0 DFADMP CCC[NH+]1CCC(NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000431615622 429773691 /nfs/dbraw/zinc/77/36/91/429773691.db2.gz YFXUAOJJQVOUGZ-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000431724966 429778712 /nfs/dbraw/zinc/77/87/12/429778712.db2.gz XWCMKKKYDIZSOR-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@@H+](Cc1cccc2nsnc21)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368070179 429779502 /nfs/dbraw/zinc/77/95/02/429779502.db2.gz IRPLNPCOZMIFHB-LBPRGKRZSA-N 2 1 313.430 2.582 20 0 DFADMP C[N@H+](Cc1cccc2nsnc21)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368070179 429779506 /nfs/dbraw/zinc/77/95/06/429779506.db2.gz IRPLNPCOZMIFHB-LBPRGKRZSA-N 2 1 313.430 2.582 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000431795847 429784735 /nfs/dbraw/zinc/78/47/35/429784735.db2.gz QXRVDBKTZHRSBE-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP CC(C)N1CCCC[C@@H]1C[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000451213614 429788728 /nfs/dbraw/zinc/78/87/28/429788728.db2.gz FFLLNTPSIBWWFB-DLBZAZTESA-N 2 1 323.525 2.863 20 0 DFADMP C[C@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431912750 429789520 /nfs/dbraw/zinc/78/95/20/429789520.db2.gz JXEYIECEAQADRK-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220818 429790141 /nfs/dbraw/zinc/79/01/41/429790141.db2.gz WOWXGIFKBWIRLI-MRXNPFEDSA-N 2 1 320.481 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220818 429790144 /nfs/dbraw/zinc/79/01/44/429790144.db2.gz WOWXGIFKBWIRLI-MRXNPFEDSA-N 2 1 320.481 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](CC(C)(C)C(N)=O)C1 ZINC000451220818 429790148 /nfs/dbraw/zinc/79/01/48/429790148.db2.gz WOWXGIFKBWIRLI-MRXNPFEDSA-N 2 1 320.481 2.585 20 0 DFADMP FC1(F)Oc2cccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2O1 ZINC000527754328 429792608 /nfs/dbraw/zinc/79/26/08/429792608.db2.gz JRKVOLGVQIWTDO-KGLIPLIRSA-N 2 1 324.371 2.767 20 0 DFADMP c1cn(CCC[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130990 429793878 /nfs/dbraw/zinc/79/38/78/429793878.db2.gz IEXDMDBXHOALSG-UXHICEINSA-N 3 1 324.472 2.727 20 0 DFADMP c1cn(CCC[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130990 429793882 /nfs/dbraw/zinc/79/38/82/429793882.db2.gz IEXDMDBXHOALSG-UXHICEINSA-N 3 1 324.472 2.727 20 0 DFADMP c1cn(CCC[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000368130990 429793886 /nfs/dbraw/zinc/79/38/86/429793886.db2.gz IEXDMDBXHOALSG-UXHICEINSA-N 3 1 324.472 2.727 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1 ZINC000368135807 429795342 /nfs/dbraw/zinc/79/53/42/429795342.db2.gz RPTFQEDEMWZKTH-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1 ZINC000368135807 429795346 /nfs/dbraw/zinc/79/53/46/429795346.db2.gz RPTFQEDEMWZKTH-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1 ZINC000368135807 429795350 /nfs/dbraw/zinc/79/53/50/429795350.db2.gz RPTFQEDEMWZKTH-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC1CCOCC1 ZINC000432369120 429817722 /nfs/dbraw/zinc/81/77/22/429817722.db2.gz PFDZWGGNSDNMIQ-IAGOWNOFSA-N 2 1 312.498 2.530 20 0 DFADMP COc1ccc(C)cc1C[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432365316 429817967 /nfs/dbraw/zinc/81/79/67/429817967.db2.gz SELSRTKSJGBRTD-INIZCTEOSA-N 2 1 306.450 2.594 20 0 DFADMP COc1ccc(C)cc1C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432365316 429817970 /nfs/dbraw/zinc/81/79/70/429817970.db2.gz SELSRTKSJGBRTD-INIZCTEOSA-N 2 1 306.450 2.594 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000368273468 429821450 /nfs/dbraw/zinc/82/14/50/429821450.db2.gz MSSVEQSJGGAIBO-AABGKKOBSA-N 2 1 313.489 2.643 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432419094 429821482 /nfs/dbraw/zinc/82/14/82/429821482.db2.gz YVWWLFFWKZGRTA-HIFRSBDPSA-N 2 1 323.506 2.919 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CCC2 ZINC000432419094 429821486 /nfs/dbraw/zinc/82/14/86/429821486.db2.gz YVWWLFFWKZGRTA-HIFRSBDPSA-N 2 1 323.506 2.919 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)COc3ccccc3O2)[C@@H](C)C1 ZINC000527927995 429821511 /nfs/dbraw/zinc/82/15/11/429821511.db2.gz DAFGUKRPFLCQNY-MPGHIAIKSA-N 2 1 304.434 2.536 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@H](C)C1 ZINC000527928000 429822007 /nfs/dbraw/zinc/82/20/07/429822007.db2.gz DAFGUKRPFLCQNY-RVKKMQEKSA-N 2 1 304.434 2.536 20 0 DFADMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1C ZINC000432425665 429823933 /nfs/dbraw/zinc/82/39/33/429823933.db2.gz WKFJCIHCSUOYGI-LSDHHAIUSA-N 2 1 322.497 2.671 20 0 DFADMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1C ZINC000432425665 429823936 /nfs/dbraw/zinc/82/39/36/429823936.db2.gz WKFJCIHCSUOYGI-LSDHHAIUSA-N 2 1 322.497 2.671 20 0 DFADMP CCOC[C@@H]1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000368344756 429834509 /nfs/dbraw/zinc/83/45/09/429834509.db2.gz NFZPRLKOJUVPNO-CQSZACIVSA-N 2 1 323.506 2.768 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000528016497 429837210 /nfs/dbraw/zinc/83/72/10/429837210.db2.gz ASCNVVWGXRSWEU-DRRJLQACSA-N 2 1 314.473 2.648 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)o1 ZINC000368437028 429849356 /nfs/dbraw/zinc/84/93/56/429849356.db2.gz CEOBRWANEDIRHJ-CYBMUJFWSA-N 2 1 311.389 2.527 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000368448436 429850988 /nfs/dbraw/zinc/85/09/88/429850988.db2.gz AKWLBHHCWQRWRL-PXAZEXFGSA-N 2 1 315.392 2.913 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CCCO[C@H]3CCCCO3)C2)CC1 ZINC000368486263 429856873 /nfs/dbraw/zinc/85/68/73/429856873.db2.gz YYXFDZUFNSJHBT-KRWDZBQOSA-N 2 1 310.482 2.728 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000368500633 429858339 /nfs/dbraw/zinc/85/83/39/429858339.db2.gz XOLUFHURCPNDNF-UHFFFAOYSA-N 2 1 302.462 2.934 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+][C@@H]1Cc3[nH]c4ccccc4c3C1)C2 ZINC000368521218 429859855 /nfs/dbraw/zinc/85/98/55/429859855.db2.gz CSCYBQNWWZFLIE-KBPBESRZSA-N 2 1 306.413 2.684 20 0 DFADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1(C)C ZINC000368563501 429867756 /nfs/dbraw/zinc/86/77/56/429867756.db2.gz LXNBCZPOSPLDOJ-YUAHOQAQSA-N 2 1 324.509 2.669 20 0 DFADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C1(C)C ZINC000368563501 429867759 /nfs/dbraw/zinc/86/77/59/429867759.db2.gz LXNBCZPOSPLDOJ-YUAHOQAQSA-N 2 1 324.509 2.669 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC12CC2 ZINC000527848527 429810785 /nfs/dbraw/zinc/81/07/85/429810785.db2.gz KKOIUZJRQAVUEG-VQIMIIECSA-N 2 1 313.489 2.712 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)C[C@@H]1CCC[NH+](C)C1 ZINC000528385353 429883303 /nfs/dbraw/zinc/88/33/03/429883303.db2.gz BPVYEJVFGSAERQ-AEFFLSMTSA-N 2 1 308.441 2.657 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000528385354 429883569 /nfs/dbraw/zinc/88/35/69/429883569.db2.gz BPVYEJVFGSAERQ-FUHWJXTLSA-N 2 1 308.441 2.657 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399049 429884944 /nfs/dbraw/zinc/88/49/44/429884944.db2.gz QXWITSIBNIGACW-FUHWJXTLSA-N 2 1 308.441 2.657 20 0 DFADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3C[N@@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000368720193 429889944 /nfs/dbraw/zinc/88/99/44/429889944.db2.gz WFFGMYLAWNFBLI-MUGJNUQGSA-N 2 1 314.473 2.851 20 0 DFADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@H]3C[N@H+]4CCC[C@H]4CO3)C2)cc1 ZINC000368720193 429889946 /nfs/dbraw/zinc/88/99/46/429889946.db2.gz WFFGMYLAWNFBLI-MUGJNUQGSA-N 2 1 314.473 2.851 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000369348635 429928568 /nfs/dbraw/zinc/92/85/68/429928568.db2.gz JPGGWOBNTPCTLA-OAHLLOKOSA-N 2 1 321.428 2.934 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@H+]2C)o1 ZINC000368755695 429891713 /nfs/dbraw/zinc/89/17/13/429891713.db2.gz CYWAAKVSIXAMDS-NVXWUHKLSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)o1 ZINC000368755695 429891715 /nfs/dbraw/zinc/89/17/15/429891715.db2.gz CYWAAKVSIXAMDS-NVXWUHKLSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)o1 ZINC000368755695 429891716 /nfs/dbraw/zinc/89/17/16/429891716.db2.gz CYWAAKVSIXAMDS-NVXWUHKLSA-N 2 1 319.449 2.537 20 0 DFADMP CC(=O)NCc1ccc([C@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)o1 ZINC000368755695 429891718 /nfs/dbraw/zinc/89/17/18/429891718.db2.gz CYWAAKVSIXAMDS-NVXWUHKLSA-N 2 1 319.449 2.537 20 0 DFADMP CC(C)[C@@H](C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2)[NH+](C)C ZINC000368819220 429896364 /nfs/dbraw/zinc/89/63/64/429896364.db2.gz SCMRBLHAVZGUIF-KRWDZBQOSA-N 2 1 301.434 2.689 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@H+](CCCn3cc[nH+]c3C)C2)cs1 ZINC000369004038 429907094 /nfs/dbraw/zinc/90/70/94/429907094.db2.gz XLYCAKZRVLFGEX-MRXNPFEDSA-N 2 1 320.462 2.638 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@@H+](CCCn3cc[nH+]c3C)C2)cs1 ZINC000369004038 429907095 /nfs/dbraw/zinc/90/70/95/429907095.db2.gz XLYCAKZRVLFGEX-MRXNPFEDSA-N 2 1 320.462 2.638 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369021049 429908246 /nfs/dbraw/zinc/90/82/46/429908246.db2.gz GXFAIHFYTGZEQA-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746555 429912130 /nfs/dbraw/zinc/91/21/30/429912130.db2.gz WKDPZGDXSQDVGJ-SJORKVTESA-N 2 1 308.441 2.706 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746555 429912131 /nfs/dbraw/zinc/91/21/31/429912131.db2.gz WKDPZGDXSQDVGJ-SJORKVTESA-N 2 1 308.441 2.706 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C ZINC000528746555 429912133 /nfs/dbraw/zinc/91/21/33/429912133.db2.gz WKDPZGDXSQDVGJ-SJORKVTESA-N 2 1 308.441 2.706 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000369328467 429923890 /nfs/dbraw/zinc/92/38/90/429923890.db2.gz BDZYTGYKENZEAW-ZWKOTPCHSA-N 2 1 304.503 2.894 20 0 DFADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H](C1CC1)[NH+](C)C ZINC000494473653 429875691 /nfs/dbraw/zinc/87/56/91/429875691.db2.gz VRUBPGLOQHRCFV-IPYPFGDCSA-N 2 1 313.486 2.608 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1ccc(-c2cc[nH]n2)o1 ZINC000369484992 429955027 /nfs/dbraw/zinc/95/50/27/429955027.db2.gz OQQYPTYRMMHYAN-KGLIPLIRSA-N 2 1 300.406 2.728 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccc(-c2cc[nH]n2)o1 ZINC000369484992 429955033 /nfs/dbraw/zinc/95/50/33/429955033.db2.gz OQQYPTYRMMHYAN-KGLIPLIRSA-N 2 1 300.406 2.728 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccc(-c2cc[nH]n2)o1 ZINC000369484992 429955039 /nfs/dbraw/zinc/95/50/39/429955039.db2.gz OQQYPTYRMMHYAN-KGLIPLIRSA-N 2 1 300.406 2.728 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH2+]CC2)C3)cc1 ZINC000573593195 429964683 /nfs/dbraw/zinc/96/46/83/429964683.db2.gz IVJAGLGCINQKCB-ACDBMABISA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC2CC[NH2+]CC2)C3)cc1 ZINC000573593195 429964686 /nfs/dbraw/zinc/96/46/86/429964686.db2.gz IVJAGLGCINQKCB-ACDBMABISA-N 2 1 313.489 2.771 20 0 DFADMP CN(C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000558253779 429965995 /nfs/dbraw/zinc/96/59/95/429965995.db2.gz FAADWEWOGUQVMT-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000558253779 429966001 /nfs/dbraw/zinc/96/60/01/429966001.db2.gz FAADWEWOGUQVMT-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000558253779 429966003 /nfs/dbraw/zinc/96/60/03/429966003.db2.gz FAADWEWOGUQVMT-XUVXKRRUSA-N 2 1 315.505 2.828 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c(C)c1 ZINC000639759851 429972388 /nfs/dbraw/zinc/97/23/88/429972388.db2.gz LRNSWAQYWKMEOP-UHFFFAOYSA-N 2 1 315.461 2.660 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1C ZINC000639760635 429972495 /nfs/dbraw/zinc/97/24/95/429972495.db2.gz YJMOXNBAQAPOKV-UHFFFAOYSA-N 2 1 315.461 2.660 20 0 DFADMP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759928 429973450 /nfs/dbraw/zinc/97/34/50/429973450.db2.gz NZUKEXXPYUNQOI-CQSZACIVSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cc(F)cc4c3OCOC4)C2)CC1 ZINC000639764941 429973544 /nfs/dbraw/zinc/97/35/44/429973544.db2.gz YFMFURUBSSKBNH-UHFFFAOYSA-N 2 1 320.408 2.610 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791223 429983943 /nfs/dbraw/zinc/98/39/43/429983943.db2.gz JHNZZGIGHOTIHW-IAGOWNOFSA-N 2 1 310.445 2.903 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791223 429983948 /nfs/dbraw/zinc/98/39/48/429983948.db2.gz JHNZZGIGHOTIHW-IAGOWNOFSA-N 2 1 310.445 2.903 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791223 429983952 /nfs/dbraw/zinc/98/39/52/429983952.db2.gz JHNZZGIGHOTIHW-IAGOWNOFSA-N 2 1 310.445 2.903 20 0 DFADMP C[C@H]1C[N@H+](CCCc2cncn2C)C[C@H](c2ccsc2)O1 ZINC000573217006 429936395 /nfs/dbraw/zinc/93/63/95/429936395.db2.gz WJHUOQRJWWAMNR-XJKSGUPXSA-N 2 1 305.447 2.876 20 0 DFADMP c1cc(N2CCC[N@H+](CCc3ccc4c(c3)CCO4)CC2)cc[nH+]1 ZINC000639682703 429945296 /nfs/dbraw/zinc/94/52/96/429945296.db2.gz KAHPCSFLLBNQSL-UHFFFAOYSA-N 2 1 323.440 2.771 20 0 DFADMP Cc1ncsc1CC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683226 429946991 /nfs/dbraw/zinc/94/69/91/429946991.db2.gz SJLLETXXLKDNKW-UHFFFAOYSA-N 2 1 302.447 2.601 20 0 DFADMP C[N@@H+](CCCC[NH2+]CCC(=O)Nc1cccc(F)c1)C1CC1 ZINC000573438126 429951648 /nfs/dbraw/zinc/95/16/48/429951648.db2.gz AGFIZOSUYALCJI-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000574410900 430039570 /nfs/dbraw/zinc/03/95/70/430039570.db2.gz XQPNYLBGGUWMAH-YPMHNXCESA-N 2 1 302.340 2.896 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000574462572 430043743 /nfs/dbraw/zinc/04/37/43/430043743.db2.gz IYGHIBGNMKLRSI-LRDDRELGSA-N 2 1 302.397 2.631 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@@H]1C ZINC000574462572 430043749 /nfs/dbraw/zinc/04/37/49/430043749.db2.gz IYGHIBGNMKLRSI-LRDDRELGSA-N 2 1 302.397 2.631 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)Cc2ccccc2)CC1 ZINC000639986770 430046587 /nfs/dbraw/zinc/04/65/87/430046587.db2.gz RLFLAAPUPSDYHW-IBGZPJMESA-N 2 1 316.489 2.930 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989404 /nfs/dbraw/zinc/98/94/04/429989404.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989409 /nfs/dbraw/zinc/98/94/09/429989409.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989413 /nfs/dbraw/zinc/98/94/13/429989413.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 2 1 315.505 2.889 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989418 /nfs/dbraw/zinc/98/94/18/429989418.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 2 1 315.505 2.889 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000631748958 429989424 /nfs/dbraw/zinc/98/94/24/429989424.db2.gz MCONTTGQWRRCND-IHPCNDPISA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@@H+](CCCn1ccnc1C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639821610 429992663 /nfs/dbraw/zinc/99/26/63/429992663.db2.gz VFWZWVZYTIHCTE-CQSZACIVSA-N 2 1 318.387 2.540 20 0 DFADMP CC[N@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639821610 429992668 /nfs/dbraw/zinc/99/26/68/429992668.db2.gz VFWZWVZYTIHCTE-CQSZACIVSA-N 2 1 318.387 2.540 20 0 DFADMP CC[N@@H+](CCCn1cc[nH+]c1C)[C@@H]1CCN(CC(F)(F)F)C1 ZINC000639821610 429992673 /nfs/dbraw/zinc/99/26/73/429992673.db2.gz VFWZWVZYTIHCTE-CQSZACIVSA-N 2 1 318.387 2.540 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000573930928 429996384 /nfs/dbraw/zinc/99/63/84/429996384.db2.gz GIFAAWZZQOBIAM-AOIWGVFYSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Oc1ccccc1C ZINC000573930928 429996386 /nfs/dbraw/zinc/99/63/86/429996386.db2.gz GIFAAWZZQOBIAM-AOIWGVFYSA-N 2 1 320.477 2.587 20 0 DFADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000573931011 429996408 /nfs/dbraw/zinc/99/64/08/429996408.db2.gz IDEPQWOZWSYCSF-ZBFHGGJFSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@@H]1C(=O)OC(C)(C)C ZINC000573931011 429996412 /nfs/dbraw/zinc/99/64/12/429996412.db2.gz IDEPQWOZWSYCSF-ZBFHGGJFSA-N 2 1 321.465 2.652 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000574092035 430010465 /nfs/dbraw/zinc/01/04/65/430010465.db2.gz QZFGFRIJLAQMIE-OAHLLOKOSA-N 2 1 306.425 2.998 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC(F)(F)C1 ZINC000529540061 430023041 /nfs/dbraw/zinc/02/30/41/430023041.db2.gz DSXVASAKTWVHIO-GUYCJALGSA-N 2 1 324.415 2.777 20 0 DFADMP CCn1nc(C)c(C[N@H+](C)CCCCn2cc[nH+]c2C)c1C ZINC000639923796 430024451 /nfs/dbraw/zinc/02/44/51/430024451.db2.gz XPWGHBPEOVWNHS-UHFFFAOYSA-N 2 1 303.454 2.937 20 0 DFADMP CCn1nc(C)c(C[N@@H+](C)CCCCn2cc[nH+]c2C)c1C ZINC000639923796 430024454 /nfs/dbraw/zinc/02/44/54/430024454.db2.gz XPWGHBPEOVWNHS-UHFFFAOYSA-N 2 1 303.454 2.937 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H](C)C2CC(F)(F)C2)CC1 ZINC000529543464 430025578 /nfs/dbraw/zinc/02/55/78/430025578.db2.gz KVGFLUJYXWKHNY-ZDUSSCGKSA-N 2 1 304.425 2.899 20 0 DFADMP O[C@@]1(C[NH2+]C[C@H]2CCCC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634715618 430088340 /nfs/dbraw/zinc/08/83/40/430088340.db2.gz GVUMFUVQMPUIHL-IAGOWNOFSA-N 2 1 324.415 2.648 20 0 DFADMP O[C@@]1(C[NH2+]C[C@H]2CCCC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715618 430088342 /nfs/dbraw/zinc/08/83/42/430088342.db2.gz GVUMFUVQMPUIHL-IAGOWNOFSA-N 2 1 324.415 2.648 20 0 DFADMP O[C@]1(C[NH2+]CCC2CC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634716709 430088402 /nfs/dbraw/zinc/08/84/02/430088402.db2.gz YPMKTBRWVXTQBS-KRWDZBQOSA-N 2 1 324.415 2.648 20 0 DFADMP O[C@]1(C[NH2+]CCC2CC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716709 430088406 /nfs/dbraw/zinc/08/84/06/430088406.db2.gz YPMKTBRWVXTQBS-KRWDZBQOSA-N 2 1 324.415 2.648 20 0 DFADMP CC1(C)[C@@H](C[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1(F)F ZINC000634722836 430089715 /nfs/dbraw/zinc/08/97/15/430089715.db2.gz VQZKKNRPGBTTMC-WBVHZDCISA-N 2 1 324.415 2.504 20 0 DFADMP CC1(C)[C@@H](C[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1(F)F ZINC000634722836 430089720 /nfs/dbraw/zinc/08/97/20/430089720.db2.gz VQZKKNRPGBTTMC-WBVHZDCISA-N 2 1 324.415 2.504 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCc1cccc2[nH]ccc21 ZINC000634730614 430090680 /nfs/dbraw/zinc/09/06/80/430090680.db2.gz MEXKMGFNVMBHSQ-SFHVURJKSA-N 2 1 323.440 2.750 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)CNCc1cccc2[nH]ccc21 ZINC000634730614 430090682 /nfs/dbraw/zinc/09/06/82/430090682.db2.gz MEXKMGFNVMBHSQ-SFHVURJKSA-N 2 1 323.440 2.750 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000634730614 430090683 /nfs/dbraw/zinc/09/06/83/430090683.db2.gz MEXKMGFNVMBHSQ-SFHVURJKSA-N 2 1 323.440 2.750 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]Cc1cccc2[nH]ccc21 ZINC000634730614 430090686 /nfs/dbraw/zinc/09/06/86/430090686.db2.gz MEXKMGFNVMBHSQ-SFHVURJKSA-N 2 1 323.440 2.750 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1)O[C@@H](C)C2 ZINC000634732309 430093236 /nfs/dbraw/zinc/09/32/36/430093236.db2.gz CMGXDLIAEBBJRH-XJKSGUPXSA-N 2 1 318.461 2.886 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000634732551 430094247 /nfs/dbraw/zinc/09/42/47/430094247.db2.gz IWYCQLUXGMRCQR-OCCSQVGLSA-N 2 1 309.479 2.862 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000640136168 430096901 /nfs/dbraw/zinc/09/69/01/430096901.db2.gz NWTIWSGBCNLKML-UHFFFAOYSA-N 2 1 302.397 2.543 20 0 DFADMP CO[C@H](C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000530227392 430104869 /nfs/dbraw/zinc/10/48/69/430104869.db2.gz WZMVJIVAGLMKGF-RHSMWYFYSA-N 2 1 306.425 2.977 20 0 DFADMP C/C(=C/c1ccccc1)C[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000561981761 430105362 /nfs/dbraw/zinc/10/53/62/430105362.db2.gz FWYIEDUKJPUNGQ-VLGSPTGOSA-N 2 1 303.494 2.905 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@@H]1C ZINC000530226141 430106002 /nfs/dbraw/zinc/10/60/02/430106002.db2.gz PXORYXYERMCMPF-ILXVDBEPSA-N 2 1 308.441 2.688 20 0 DFADMP CC(C)[C@H]1CN(C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000530245159 430107679 /nfs/dbraw/zinc/10/76/79/430107679.db2.gz UZLNOKQLQNXLPK-WOJBJXKFSA-N 2 1 315.505 2.828 20 0 DFADMP OC[C@@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000562103382 430109221 /nfs/dbraw/zinc/10/92/21/430109221.db2.gz PFITWCBBPHQDJS-WTGUMLROSA-N 2 1 314.473 2.790 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000561074582 430075433 /nfs/dbraw/zinc/07/54/33/430075433.db2.gz UVEATJRAGJRSNM-WMZOPIPTSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000640063365 430076444 /nfs/dbraw/zinc/07/64/44/430076444.db2.gz FKJOYFSZGCFXSY-LLVKDONJSA-N 2 1 300.362 2.550 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2CCOC(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000634685988 430077915 /nfs/dbraw/zinc/07/79/15/430077915.db2.gz ZFRRAIRQHRRCFM-KURKYZTESA-N 2 1 302.462 2.879 20 0 DFADMP C[C@@H]([NH3+])c1ccc(NC(=O)C[N@@H+](C)CCc2ccccc2)cc1 ZINC000637856489 430149882 /nfs/dbraw/zinc/14/98/82/430149882.db2.gz CEZVFDAMBZUDEK-OAHLLOKOSA-N 2 1 311.429 2.819 20 0 DFADMP COc1cc(F)cc(OC)c1CN(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930737 430176965 /nfs/dbraw/zinc/17/69/65/430176965.db2.gz TUNVJWIUUSQUPL-CYBMUJFWSA-N 2 1 310.413 2.617 20 0 DFADMP COc1cc(OC)c([C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1Cl ZINC000562303225 430117797 /nfs/dbraw/zinc/11/77/97/430117797.db2.gz PEHDDKCDIXHHKL-NSHDSACASA-N 2 1 323.824 2.984 20 0 DFADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000530694030 430122946 /nfs/dbraw/zinc/12/29/46/430122946.db2.gz KQDSMBHHJADPRY-DZGCQCFKSA-N 2 1 318.465 2.536 20 0 DFADMP COc1ncc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC000530694030 430122947 /nfs/dbraw/zinc/12/29/47/430122947.db2.gz KQDSMBHHJADPRY-DZGCQCFKSA-N 2 1 318.465 2.536 20 0 DFADMP CCC[N@H+](C[C@H](O)C[NH+](C)CC)[C@H]1CCc2ccccc2C1 ZINC000562442569 430133596 /nfs/dbraw/zinc/13/35/96/430133596.db2.gz UKSVWRFINJIJSZ-RBUKOAKNSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)CC)[C@H]1CCc2ccccc2C1 ZINC000562442569 430133600 /nfs/dbraw/zinc/13/36/00/430133600.db2.gz UKSVWRFINJIJSZ-RBUKOAKNSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)CC)[C@H]1CCc2ccccc2C1 ZINC000562442569 430133603 /nfs/dbraw/zinc/13/36/03/430133603.db2.gz UKSVWRFINJIJSZ-RBUKOAKNSA-N 2 1 304.478 2.569 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)CC)[C@H]1CCc2ccccc2C1 ZINC000562442569 430133604 /nfs/dbraw/zinc/13/36/04/430133604.db2.gz UKSVWRFINJIJSZ-RBUKOAKNSA-N 2 1 304.478 2.569 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000580708747 430145787 /nfs/dbraw/zinc/14/57/87/430145787.db2.gz VREDANNIENXSDW-ZDUSSCGKSA-N 2 1 321.856 2.959 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330126 277060570 /nfs/dbraw/zinc/06/05/70/277060570.db2.gz QVEDRJBFIALDCC-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330126 277060571 /nfs/dbraw/zinc/06/05/71/277060571.db2.gz QVEDRJBFIALDCC-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)NC2CCCCC2)C1 ZINC000371330126 277060573 /nfs/dbraw/zinc/06/05/73/277060573.db2.gz QVEDRJBFIALDCC-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285965790 277061829 /nfs/dbraw/zinc/06/18/29/277061829.db2.gz NHMZVRORXZWFRX-YSTOQKLRSA-N 2 1 314.473 2.975 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285965790 277061830 /nfs/dbraw/zinc/06/18/30/277061830.db2.gz NHMZVRORXZWFRX-YSTOQKLRSA-N 2 1 314.473 2.975 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@H]21 ZINC000285965790 277061831 /nfs/dbraw/zinc/06/18/31/277061831.db2.gz NHMZVRORXZWFRX-YSTOQKLRSA-N 2 1 314.473 2.975 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000634999284 430188971 /nfs/dbraw/zinc/18/89/71/430188971.db2.gz RYWUTEZVSBYCFJ-CJNGLKHVSA-N 2 1 318.852 2.611 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ncccc3O)C2)CC1 ZINC000581217044 430189211 /nfs/dbraw/zinc/18/92/11/430189211.db2.gz CIPDCGHAOLYPGT-INIZCTEOSA-N 2 1 303.450 2.731 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ncccc3O)C2)CC1 ZINC000581217044 430189213 /nfs/dbraw/zinc/18/92/13/430189213.db2.gz CIPDCGHAOLYPGT-INIZCTEOSA-N 2 1 303.450 2.731 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000634998845 430189330 /nfs/dbraw/zinc/18/93/30/430189330.db2.gz LSGJKIYXWXVAHC-UKRRQHHQSA-N 2 1 324.428 2.860 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000634999763 430189515 /nfs/dbraw/zinc/18/95/15/430189515.db2.gz YSHNQNNPDICUQP-PWSUYJOCSA-N 2 1 320.330 2.793 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000634999763 430189520 /nfs/dbraw/zinc/18/95/20/430189520.db2.gz YSHNQNNPDICUQP-PWSUYJOCSA-N 2 1 320.330 2.793 20 0 DFADMP C[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000634998782 430190085 /nfs/dbraw/zinc/19/00/85/430190085.db2.gz KZNONKVBRNSJIR-UONOGXRCSA-N 2 1 307.869 2.967 20 0 DFADMP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000634998782 430190090 /nfs/dbraw/zinc/19/00/90/430190090.db2.gz KZNONKVBRNSJIR-UONOGXRCSA-N 2 1 307.869 2.967 20 0 DFADMP CC[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635003756 430191368 /nfs/dbraw/zinc/19/13/68/430191368.db2.gz LIERFKPBDUBMAV-LMCOJAPRSA-N 2 1 315.505 2.875 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)N1CCCCCC1 ZINC000640532009 430192566 /nfs/dbraw/zinc/19/25/66/430192566.db2.gz OELHNWUQWDHHIS-UHFFFAOYSA-N 2 1 309.498 2.587 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000640534690 430193837 /nfs/dbraw/zinc/19/38/37/430193837.db2.gz RVYDLZOKOFBISQ-FGTMMUONSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](Cc1ccsc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000542159399 430201980 /nfs/dbraw/zinc/20/19/80/430201980.db2.gz CXVBIWRMLZFCRR-WMZOPIPTSA-N 2 1 321.534 2.781 20 0 DFADMP C[C@H](Cc1ccsc1)[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000542159398 430202351 /nfs/dbraw/zinc/20/23/51/430202351.db2.gz CXVBIWRMLZFCRR-SJLPKXTDSA-N 2 1 321.534 2.781 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN[C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953379 430197267 /nfs/dbraw/zinc/19/72/67/430197267.db2.gz KJHYEKUEYZUDKB-HUUCEWRRSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953379 430197272 /nfs/dbraw/zinc/19/72/72/430197272.db2.gz KJHYEKUEYZUDKB-HUUCEWRRSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953379 430197275 /nfs/dbraw/zinc/19/72/75/430197275.db2.gz KJHYEKUEYZUDKB-HUUCEWRRSA-N 2 1 316.367 2.813 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc2c1CCOC2 ZINC000635013973 430197565 /nfs/dbraw/zinc/19/75/65/430197565.db2.gz XHRFNSORUHJOAA-QRWLVFNGSA-N 2 1 310.441 2.807 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1cccc2c1CCOC2 ZINC000635013974 430198982 /nfs/dbraw/zinc/19/89/82/430198982.db2.gz XHRFNSORUHJOAA-YWZLYKJASA-N 2 1 310.441 2.807 20 0 DFADMP COCC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248418754 277239392 /nfs/dbraw/zinc/23/93/92/277239392.db2.gz TWIBGGAABZRWFV-WZGPROSRSA-N 2 1 302.462 2.912 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353631564 277332236 /nfs/dbraw/zinc/33/22/36/277332236.db2.gz LYBDKPMRRITBNP-BRSBDYLESA-N 2 1 306.425 2.976 20 0 DFADMP CCC[C@@H](C[N@H+]1CCCN(Cc2nccn2C(C)C)CC1)OC ZINC000638047049 430220055 /nfs/dbraw/zinc/22/00/55/430220055.db2.gz XBYYTFXMQKETOS-KRWDZBQOSA-N 2 1 322.497 2.787 20 0 DFADMP Cc1scc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000638053736 430221849 /nfs/dbraw/zinc/22/18/49/430221849.db2.gz BBCUZSLIQPZUFM-QGZVFWFLSA-N 2 1 307.507 2.577 20 0 DFADMP Cc1scc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000638053736 430221854 /nfs/dbraw/zinc/22/18/54/430221854.db2.gz BBCUZSLIQPZUFM-QGZVFWFLSA-N 2 1 307.507 2.577 20 0 DFADMP CC[N@H+](CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000581616622 430224011 /nfs/dbraw/zinc/22/40/11/430224011.db2.gz SNDWIXVFRAQNGB-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP CC[N@@H+](CCNC(=O)[C@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000581616622 430224015 /nfs/dbraw/zinc/22/40/15/430224015.db2.gz SNDWIXVFRAQNGB-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP C[N@@H+](C[C@@H]1CCN(c2ccccc2)C1)CC1CC[NH+](C)CC1 ZINC000638029651 430213190 /nfs/dbraw/zinc/21/31/90/430213190.db2.gz RANMCDIRBGPVPX-SFHVURJKSA-N 2 1 301.478 2.787 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1 ZINC000581486162 430214154 /nfs/dbraw/zinc/21/41/54/430214154.db2.gz YLERDUHIVVWRNX-WSGSOLELSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1 ZINC000581486162 430214158 /nfs/dbraw/zinc/21/41/58/430214158.db2.gz YLERDUHIVVWRNX-WSGSOLELSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000581486162 430214160 /nfs/dbraw/zinc/21/41/60/430214160.db2.gz YLERDUHIVVWRNX-WSGSOLELSA-N 2 1 315.461 2.911 20 0 DFADMP CC1CC[NH+](CCCCNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635347362 430257073 /nfs/dbraw/zinc/25/70/73/430257073.db2.gz YQNMYVKVAIZYII-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000582002695 430257767 /nfs/dbraw/zinc/25/77/67/430257767.db2.gz ASBNBONCOCTBRN-KRWDZBQOSA-N 2 1 318.461 2.663 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000566408004 430258827 /nfs/dbraw/zinc/25/88/27/430258827.db2.gz XJVQUFKAJYJGJE-GDBMZVCRSA-N 2 1 302.466 2.516 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCCC2)C1 ZINC000566408004 430258832 /nfs/dbraw/zinc/25/88/32/430258832.db2.gz XJVQUFKAJYJGJE-GDBMZVCRSA-N 2 1 302.466 2.516 20 0 DFADMP Nc1c(F)cccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638180943 430264405 /nfs/dbraw/zinc/26/44/05/430264405.db2.gz LIUCMKMDFLLTTI-SUMWQHHRSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000638180943 430264410 /nfs/dbraw/zinc/26/44/10/430264410.db2.gz LIUCMKMDFLLTTI-SUMWQHHRSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000638180943 430264412 /nfs/dbraw/zinc/26/44/12/430264412.db2.gz LIUCMKMDFLLTTI-SUMWQHHRSA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000638180943 430264415 /nfs/dbraw/zinc/26/44/15/430264415.db2.gz LIUCMKMDFLLTTI-SUMWQHHRSA-N 2 1 303.425 2.857 20 0 DFADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(F)c1 ZINC000638181843 430265163 /nfs/dbraw/zinc/26/51/63/430265163.db2.gz PEIHSEWEBXGROB-BPQIPLTHSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c(F)c1 ZINC000638181843 430265165 /nfs/dbraw/zinc/26/51/65/430265165.db2.gz PEIHSEWEBXGROB-BPQIPLTHSA-N 2 1 306.425 2.818 20 0 DFADMP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000635404884 430268850 /nfs/dbraw/zinc/26/88/50/430268850.db2.gz JZYINQZVQYJOLG-JZXOWHBKSA-N 2 1 317.477 2.621 20 0 DFADMP CC(C)=C(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000635410376 430271725 /nfs/dbraw/zinc/27/17/25/430271725.db2.gz HHSDSLUVSCWFFG-UHFFFAOYSA-N 2 1 302.422 2.518 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000635424542 430276159 /nfs/dbraw/zinc/27/61/59/430276159.db2.gz CCDUSOKEQPNOQI-UHFFFAOYSA-N 2 1 320.481 2.585 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000635424542 430276164 /nfs/dbraw/zinc/27/61/64/430276164.db2.gz CCDUSOKEQPNOQI-UHFFFAOYSA-N 2 1 320.481 2.585 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000544351103 430278711 /nfs/dbraw/zinc/27/87/11/430278711.db2.gz KDBKBOBAIDTGAQ-OAHLLOKOSA-N 2 1 322.416 2.678 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000635216697 430229494 /nfs/dbraw/zinc/22/94/94/430229494.db2.gz KTOJNRNFZNZUPD-UHFFFAOYSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000635216697 430229495 /nfs/dbraw/zinc/22/94/95/430229495.db2.gz KTOJNRNFZNZUPD-UHFFFAOYSA-N 2 1 320.481 2.777 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1CCCc1ccccc1 ZINC000581733945 430235512 /nfs/dbraw/zinc/23/55/12/430235512.db2.gz QUSDOZXPQKIZMA-RBUKOAKNSA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000581733945 430235513 /nfs/dbraw/zinc/23/55/13/430235513.db2.gz QUSDOZXPQKIZMA-RBUKOAKNSA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1CCCc1ccccc1 ZINC000581733945 430235518 /nfs/dbraw/zinc/23/55/18/430235518.db2.gz QUSDOZXPQKIZMA-RBUKOAKNSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000581737833 430238205 /nfs/dbraw/zinc/23/82/05/430238205.db2.gz UDAZUNLBIZDFIS-OAHLLOKOSA-N 2 1 303.450 2.998 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000635264863 430240621 /nfs/dbraw/zinc/24/06/21/430240621.db2.gz NBADBQYLIHTQRO-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP C[NH+]1CCN(CCCC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000582281401 430285873 /nfs/dbraw/zinc/28/58/73/430285873.db2.gz USOIPVOLOASLQB-UHFFFAOYSA-N 2 1 324.538 2.558 20 0 DFADMP O=C(Nc1ccc2c(c1)C[NH2+]C2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638257952 430287044 /nfs/dbraw/zinc/28/70/44/430287044.db2.gz DCLQMRZBBRUSJA-QGZVFWFLSA-N 2 1 321.424 2.750 20 0 DFADMP CO[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)CC(C)C ZINC000638305189 430298403 /nfs/dbraw/zinc/29/84/03/430298403.db2.gz RGHZBRAAKSAECS-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP Cc1ccc(C[C@H]2CCC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000582449338 430300463 /nfs/dbraw/zinc/30/04/63/430300463.db2.gz XAUVWTJQVSBJSS-QUCCMNQESA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@H]2CCC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000582449338 430300467 /nfs/dbraw/zinc/30/04/67/430300467.db2.gz XAUVWTJQVSBJSS-QUCCMNQESA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000582449338 430300468 /nfs/dbraw/zinc/30/04/68/430300468.db2.gz XAUVWTJQVSBJSS-QUCCMNQESA-N 2 1 316.489 2.705 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000582449338 430300472 /nfs/dbraw/zinc/30/04/72/430300472.db2.gz XAUVWTJQVSBJSS-QUCCMNQESA-N 2 1 316.489 2.705 20 0 DFADMP CO[C@@](C)(C[NH2+]CCC[N@@H+]1CCc2ccccc2C1)C1CC1 ZINC000638334319 430308585 /nfs/dbraw/zinc/30/85/85/430308585.db2.gz AXIKUORYLQFPNX-IBGZPJMESA-N 2 1 302.462 2.840 20 0 DFADMP CO[C@@](C)(C[NH2+]CCC[N@H+]1CCc2ccccc2C1)C1CC1 ZINC000638334319 430308587 /nfs/dbraw/zinc/30/85/87/430308587.db2.gz AXIKUORYLQFPNX-IBGZPJMESA-N 2 1 302.462 2.840 20 0 DFADMP CCOC1CC(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000638334362 430308768 /nfs/dbraw/zinc/30/87/68/430308768.db2.gz BNEOZAYMNODTLQ-UHFFFAOYSA-N 2 1 302.462 2.840 20 0 DFADMP CCOC1CC(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000638334362 430308770 /nfs/dbraw/zinc/30/87/70/430308770.db2.gz BNEOZAYMNODTLQ-UHFFFAOYSA-N 2 1 302.462 2.840 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]([NH3+])C2)N2CCCC2)cc1 ZINC000568107502 430317904 /nfs/dbraw/zinc/31/79/04/430317904.db2.gz OXSJNEKHJYCUQE-FHWLQOOXSA-N 2 1 301.478 2.991 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]Cc2c[nH]c3ncncc23)C1 ZINC000638366558 430318128 /nfs/dbraw/zinc/31/81/28/430318128.db2.gz OIACAFJSSPKCHE-CQSZACIVSA-N 2 1 301.438 2.511 20 0 DFADMP COc1ncc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)s1 ZINC000638369369 430318597 /nfs/dbraw/zinc/31/85/97/430318597.db2.gz GNZFWUMZLMUPEQ-OKILXGFUSA-N 2 1 311.495 2.999 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000568166123 430321495 /nfs/dbraw/zinc/32/14/95/430321495.db2.gz DDGJUCIGXYJHTR-NKKGCODLSA-N 2 1 310.869 2.939 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000568166123 430321504 /nfs/dbraw/zinc/32/15/04/430321504.db2.gz DDGJUCIGXYJHTR-NKKGCODLSA-N 2 1 310.869 2.939 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@H]1C[C@@H]1C ZINC000568166123 430321508 /nfs/dbraw/zinc/32/15/08/430321508.db2.gz DDGJUCIGXYJHTR-NKKGCODLSA-N 2 1 310.869 2.939 20 0 DFADMP CCN(C)C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169170 430324941 /nfs/dbraw/zinc/32/49/41/430324941.db2.gz CWUJPANUDFOFFN-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169170 430324942 /nfs/dbraw/zinc/32/49/42/430324942.db2.gz CWUJPANUDFOFFN-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169170 430324947 /nfs/dbraw/zinc/32/49/47/430324947.db2.gz CWUJPANUDFOFFN-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169170 430324950 /nfs/dbraw/zinc/32/49/50/430324950.db2.gz CWUJPANUDFOFFN-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CCc1ccc(F)cc1)C1CCCC1 ZINC000568169170 430324955 /nfs/dbraw/zinc/32/49/55/430324955.db2.gz CWUJPANUDFOFFN-LJQANCHMSA-N 2 1 322.468 2.925 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000545867367 430329761 /nfs/dbraw/zinc/32/97/61/430329761.db2.gz QOBSLAOWPFWKPY-RBUKOAKNSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccccc2)C2CCCCC2)C1 ZINC000545867367 430329764 /nfs/dbraw/zinc/32/97/64/430329764.db2.gz QOBSLAOWPFWKPY-RBUKOAKNSA-N 2 1 302.462 2.964 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCC2 ZINC000638410801 430332933 /nfs/dbraw/zinc/33/29/33/430332933.db2.gz COAQWMUESLEYCW-IAGOWNOFSA-N 2 1 324.509 2.549 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000638419846 430337462 /nfs/dbraw/zinc/33/74/62/430337462.db2.gz JXHQGMHHBOIHFG-RVKKMQEKSA-N 2 1 320.502 2.891 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)CS1 ZINC000638419846 430337468 /nfs/dbraw/zinc/33/74/68/430337468.db2.gz JXHQGMHHBOIHFG-RVKKMQEKSA-N 2 1 320.502 2.891 20 0 DFADMP CC[C@](C)(C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)OC ZINC000638420498 430337476 /nfs/dbraw/zinc/33/74/76/430337476.db2.gz OFXCASMIDXYNEE-QFBILLFUSA-N 2 1 320.477 2.812 20 0 DFADMP CC[C@](C)(C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)OC ZINC000638420498 430337482 /nfs/dbraw/zinc/33/74/82/430337482.db2.gz OFXCASMIDXYNEE-QFBILLFUSA-N 2 1 320.477 2.812 20 0 DFADMP CCC[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)OC ZINC000638421410 430337533 /nfs/dbraw/zinc/33/75/33/430337533.db2.gz VFKHAYDIFPIGEL-APWZRJJASA-N 2 1 320.477 2.812 20 0 DFADMP CC(C)OC[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000546028824 430341575 /nfs/dbraw/zinc/34/15/75/430341575.db2.gz SSKDSLLJWCZFDH-HNNXBMFYSA-N 2 1 321.446 2.560 20 0 DFADMP CC(C)OC[C@@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000546028824 430341580 /nfs/dbraw/zinc/34/15/80/430341580.db2.gz SSKDSLLJWCZFDH-HNNXBMFYSA-N 2 1 321.446 2.560 20 0 DFADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000546015699 430342674 /nfs/dbraw/zinc/34/26/74/430342674.db2.gz VYQDKZLIRZPUHZ-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H](C)[NH+]2CC(C)C2)cc1 ZINC000568291700 430346041 /nfs/dbraw/zinc/34/60/41/430346041.db2.gz RIIMOFZZSVVJCZ-OAHLLOKOSA-N 2 1 303.450 2.807 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH3+])cc2)C1 ZINC000568997900 430414366 /nfs/dbraw/zinc/41/43/66/430414366.db2.gz SKAMUUQFIZZBSR-OAHLLOKOSA-N 2 1 303.450 2.986 20 0 DFADMP CCn1cncc1[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635937843 430415776 /nfs/dbraw/zinc/41/57/76/430415776.db2.gz KHKYGPQELVQJRW-OAHLLOKOSA-N 2 1 320.481 2.935 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)C1 ZINC000546573896 430355339 /nfs/dbraw/zinc/35/53/39/430355339.db2.gz JTVUIBRBCCUZMD-VQTJNVASSA-N 2 1 316.489 2.834 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)C1 ZINC000546573896 430355343 /nfs/dbraw/zinc/35/53/43/430355343.db2.gz JTVUIBRBCCUZMD-VQTJNVASSA-N 2 1 316.489 2.834 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000568407690 430356444 /nfs/dbraw/zinc/35/64/44/430356444.db2.gz MFEZIMUFELVFBL-QGZVFWFLSA-N 2 1 301.434 2.702 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3cnc(C4CC4)nc3)C2)[nH+]1 ZINC000568483022 430361963 /nfs/dbraw/zinc/36/19/63/430361963.db2.gz XVINHBGDBFRLFI-HNNXBMFYSA-N 2 1 323.444 2.991 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CS[C@@H](C)C3)CC2)oc1C ZINC000638524290 430365930 /nfs/dbraw/zinc/36/59/30/430365930.db2.gz OKNQSDWTIXOZOG-BLLLJJGKSA-N 2 1 323.506 2.987 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CS[C@H](C)C3)CC2)oc1C ZINC000638524292 430366625 /nfs/dbraw/zinc/36/66/25/430366625.db2.gz OKNQSDWTIXOZOG-MLGOLLRUSA-N 2 1 323.506 2.987 20 0 DFADMP CO[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521653 430367104 /nfs/dbraw/zinc/36/71/04/430367104.db2.gz NPEYHMQIANXLJW-HKUYNNGSSA-N 2 1 302.462 2.566 20 0 DFADMP CO[C@](C)(C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521280 430367746 /nfs/dbraw/zinc/36/77/46/430367746.db2.gz FBPUQDMFUZGSMM-UYAOXDASSA-N 2 1 316.489 2.956 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638566407 430378777 /nfs/dbraw/zinc/37/87/77/430378777.db2.gz HXFGJFIXCNTEAQ-YESZJQIVSA-N 2 1 309.498 2.678 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000638566407 430378781 /nfs/dbraw/zinc/37/87/81/430378781.db2.gz HXFGJFIXCNTEAQ-YESZJQIVSA-N 2 1 309.498 2.678 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000583369815 430388675 /nfs/dbraw/zinc/38/86/75/430388675.db2.gz OPMSNLKCBNTFGL-AWEZNQCLSA-N 2 1 318.465 2.574 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1CCc2ccccc2C1 ZINC000638621321 430392348 /nfs/dbraw/zinc/39/23/48/430392348.db2.gz WEMUCGAJICFWRF-PXNSSMCTSA-N 2 1 316.489 2.618 20 0 DFADMP CO[C@H](C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H]1CCOC1 ZINC000638725667 430418711 /nfs/dbraw/zinc/41/87/11/430418711.db2.gz HEIRFMXWRIYNLX-BHIYHBOVSA-N 2 1 320.477 2.538 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1 ZINC000638644030 430398581 /nfs/dbraw/zinc/39/85/81/430398581.db2.gz NXQIGDKUVXFBTH-MAUKXSAKSA-N 2 1 317.477 2.789 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)cc1)C(C)C ZINC000638645043 430398862 /nfs/dbraw/zinc/39/88/62/430398862.db2.gz TXQYJSHABOIAJQ-YJBOKZPZSA-N 2 1 317.477 2.787 20 0 DFADMP CC[C@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000583557712 430405930 /nfs/dbraw/zinc/40/59/30/430405930.db2.gz XFCYRFAJEHMFRH-WMZOPIPTSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC1(F)F ZINC000638686301 430407319 /nfs/dbraw/zinc/40/73/19/430407319.db2.gz ISJVOPAQQQGRNK-PQEBFOHHSA-N 2 1 324.415 2.503 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC1(F)F ZINC000638686301 430407321 /nfs/dbraw/zinc/40/73/21/430407321.db2.gz ISJVOPAQQQGRNK-PQEBFOHHSA-N 2 1 324.415 2.503 20 0 DFADMP CCc1nc(N(C)CCC[N@H+](C)Cc2ccncc2)cc(C)[nH+]1 ZINC000641647516 430434095 /nfs/dbraw/zinc/43/40/95/430434095.db2.gz WCMOXYVKSPPHSW-UHFFFAOYSA-N 2 1 313.449 2.701 20 0 DFADMP CCc1nc(N(C)CCC[N@@H+](C)Cc2ccncc2)cc(C)[nH+]1 ZINC000641647516 430434097 /nfs/dbraw/zinc/43/40/97/430434097.db2.gz WCMOXYVKSPPHSW-UHFFFAOYSA-N 2 1 313.449 2.701 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2CC[N@H+]2C2CCCC2)cc1 ZINC000585121146 430480821 /nfs/dbraw/zinc/48/08/21/430480821.db2.gz HCASHEYNICTVGW-SFHVURJKSA-N 2 1 315.461 2.746 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548064641 430443369 /nfs/dbraw/zinc/44/33/69/430443369.db2.gz RJLBKQMMOPVMBG-INIZCTEOSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000569339358 430443650 /nfs/dbraw/zinc/44/36/50/430443650.db2.gz DRUPVQYAXBTZEE-WMZOPIPTSA-N 2 1 301.478 2.723 20 0 DFADMP C[NH2+]CCCC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850390 430454716 /nfs/dbraw/zinc/45/47/16/430454716.db2.gz DZFRYJUJRACAGK-SFHVURJKSA-N 2 1 317.477 2.547 20 0 DFADMP CC(C)OC1CC([N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000584098930 430459205 /nfs/dbraw/zinc/45/92/05/430459205.db2.gz PFJHYVLBRXGPMS-LMDPOFIKSA-N 2 1 317.477 2.791 20 0 DFADMP CC(C)OC1CC([N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000584098930 430459208 /nfs/dbraw/zinc/45/92/08/430459208.db2.gz PFJHYVLBRXGPMS-LMDPOFIKSA-N 2 1 317.477 2.791 20 0 DFADMP CC(C)OC1CC([NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000584098930 430459212 /nfs/dbraw/zinc/45/92/12/430459212.db2.gz PFJHYVLBRXGPMS-LMDPOFIKSA-N 2 1 317.477 2.791 20 0 DFADMP CC(C)OC1CC([NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000584098930 430459216 /nfs/dbraw/zinc/45/92/16/430459216.db2.gz PFJHYVLBRXGPMS-LMDPOFIKSA-N 2 1 317.477 2.791 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000584121251 430463262 /nfs/dbraw/zinc/46/32/62/430463262.db2.gz GDZYPEGPPLJIOL-WOJBJXKFSA-N 2 1 312.457 2.873 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000584121251 430463263 /nfs/dbraw/zinc/46/32/63/430463263.db2.gz GDZYPEGPPLJIOL-WOJBJXKFSA-N 2 1 312.457 2.873 20 0 DFADMP Cc1cc(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)sn1 ZINC000638874026 430464548 /nfs/dbraw/zinc/46/45/48/430464548.db2.gz PCSUDUYWULUUCI-UHFFFAOYSA-N 2 1 317.462 2.617 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000641770366 430466949 /nfs/dbraw/zinc/46/69/49/430466949.db2.gz ONUIIWZOYOOUHP-MRXNPFEDSA-N 2 1 303.450 2.659 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@H]2C[NH+](C)CC[C@@H]21)C1CCCCC1 ZINC000548393082 430468225 /nfs/dbraw/zinc/46/82/25/430468225.db2.gz KNXUMFBEIWQEPX-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1c[nH]nc1-c1ccsc1)C2 ZINC000548424072 430473982 /nfs/dbraw/zinc/47/39/82/430473982.db2.gz NUOZQHRWNNEBKJ-GFCCVEGCSA-N 2 1 313.430 2.687 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641802881 430475845 /nfs/dbraw/zinc/47/58/45/430475845.db2.gz BSMXIWTXKQNUSZ-MGBSGCIJSA-N 2 1 317.477 2.530 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000641806499 430477823 /nfs/dbraw/zinc/47/78/23/430477823.db2.gz PTMACEXRLMEUGR-SJORKVTESA-N 2 1 315.461 2.528 20 0 DFADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000641803716 430477915 /nfs/dbraw/zinc/47/79/15/430477915.db2.gz FBXMXTXNXHTZGI-RYUDHWBXSA-N 2 1 316.232 2.647 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc2ccccc21 ZINC000641805124 430478300 /nfs/dbraw/zinc/47/83/00/430478300.db2.gz LYMXTYBOIONQPG-JCURWCKSSA-N 2 1 311.429 2.882 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](CCCC[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000547770796 430420244 /nfs/dbraw/zinc/42/02/44/430420244.db2.gz HOSKMALGAQZFMB-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CO[C@]1(C)CCC[NH+](CCCC[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000547770796 430420248 /nfs/dbraw/zinc/42/02/48/430420248.db2.gz HOSKMALGAQZFMB-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CO[C@]1(C)CCC[NH+](CCCC[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000547770796 430420250 /nfs/dbraw/zinc/42/02/50/430420250.db2.gz HOSKMALGAQZFMB-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000547798652 430423405 /nfs/dbraw/zinc/42/34/05/430423405.db2.gz NVLNEGHLWSEEKW-IRXDYDNUSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000583789578 430428129 /nfs/dbraw/zinc/42/81/29/430428129.db2.gz NNIDXWRHEMVVTF-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000583789578 430428131 /nfs/dbraw/zinc/42/81/31/430428131.db2.gz NNIDXWRHEMVVTF-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000583789578 430428135 /nfs/dbraw/zinc/42/81/35/430428135.db2.gz NNIDXWRHEMVVTF-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@](C)(O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000569172240 430428872 /nfs/dbraw/zinc/42/88/72/430428872.db2.gz UQILNFCWEFYRMA-DOTOQJQBSA-N 2 1 310.507 2.971 20 0 DFADMP CC[C@@](C)(O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000569172240 430428874 /nfs/dbraw/zinc/42/88/74/430428874.db2.gz UQILNFCWEFYRMA-DOTOQJQBSA-N 2 1 310.507 2.971 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)C[C@@H]3CC[N@@H+](C)C3)ccc21 ZINC000635997364 430433018 /nfs/dbraw/zinc/43/30/18/430433018.db2.gz UTTCSUOACMCFIR-SUMWQHHRSA-N 2 1 301.434 2.516 20 0 DFADMP C[C@@H]([NH2+]Cc1c[nH]c2ncncc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638970673 430483539 /nfs/dbraw/zinc/48/35/39/430483539.db2.gz MVRSTXKNVQPFLV-ZIAGYGMSSA-N 2 1 313.449 2.652 20 0 DFADMP C[C@H]([NH2+]Cc1c[nH]c2ncncc12)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638970672 430484081 /nfs/dbraw/zinc/48/40/81/430484081.db2.gz MVRSTXKNVQPFLV-UONOGXRCSA-N 2 1 313.449 2.652 20 0 DFADMP Cc1cccc(NCCNC(=O)CC[N@@H+](C)C2CCCCC2)[nH+]1 ZINC000548716233 430494497 /nfs/dbraw/zinc/49/44/97/430494497.db2.gz BXZKINGAPMGYGK-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP Cc1cccc(NCCNC(=O)CC[N@H+](C)C2CCCCC2)[nH+]1 ZINC000548716233 430494500 /nfs/dbraw/zinc/49/45/00/430494500.db2.gz BXZKINGAPMGYGK-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP CC(C)O[C@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000639049310 430502456 /nfs/dbraw/zinc/50/24/56/430502456.db2.gz NVYLLRBQKVLZCW-GOSISDBHSA-N 2 1 320.477 2.589 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC[C@H]3C[C@H]32)c2cccs2)CC1 ZINC000548884459 430509162 /nfs/dbraw/zinc/50/91/62/430509162.db2.gz ILHYNBSNDRUUTN-YLFCFFPRSA-N 2 1 319.518 2.815 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000642630960 430522295 /nfs/dbraw/zinc/52/22/95/430522295.db2.gz SHQHVKPJJNYCOC-RYQLBKOJSA-N 2 1 315.461 2.929 20 0 DFADMP C[C@@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000570329526 430533578 /nfs/dbraw/zinc/53/35/78/430533578.db2.gz QFQAQXDHNMZWDP-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000570329526 430533580 /nfs/dbraw/zinc/53/35/80/430533580.db2.gz QFQAQXDHNMZWDP-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNCc2cnc([C@H]3CCCO3)s2)C1 ZINC000549867869 430534465 /nfs/dbraw/zinc/53/44/65/430534465.db2.gz YRQUQFJDMLIOFF-UKRRQHHQSA-N 2 1 309.479 2.815 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000549867869 430534468 /nfs/dbraw/zinc/53/44/68/430534468.db2.gz YRQUQFJDMLIOFF-UKRRQHHQSA-N 2 1 309.479 2.815 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000549867869 430534473 /nfs/dbraw/zinc/53/44/73/430534473.db2.gz YRQUQFJDMLIOFF-UKRRQHHQSA-N 2 1 309.479 2.815 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCC[C@@H]([NH3+])C2)[C@H]2CCC[NH2+]2)cc1 ZINC000570389247 430539518 /nfs/dbraw/zinc/53/95/18/430539518.db2.gz ZXBKADVNBMAUOI-OPNNQBFTSA-N 3 1 317.477 2.595 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cccc(F)c1N)Cc1ccco1 ZINC000639166977 430550671 /nfs/dbraw/zinc/55/06/71/430550671.db2.gz YGFURIJPJZRJMF-UHFFFAOYSA-N 2 1 305.397 2.955 20 0 DFADMP C[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570681946 430565923 /nfs/dbraw/zinc/56/59/23/430565923.db2.gz KPONGYJEFRVPSM-RYRKJORJSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H](C[C@H](C)O)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570681946 430565928 /nfs/dbraw/zinc/56/59/28/430565928.db2.gz KPONGYJEFRVPSM-RYRKJORJSA-N 2 1 302.462 2.933 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCCCC3)CC2)CC1 ZINC000552818907 430602115 /nfs/dbraw/zinc/60/21/15/430602115.db2.gz LCIBRKWEXXMJRX-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639249677 430588788 /nfs/dbraw/zinc/58/87/88/430588788.db2.gz KVZOMVPITHTFQM-OQIJWPOYSA-N 2 1 300.446 2.858 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639249677 430588792 /nfs/dbraw/zinc/58/87/92/430588792.db2.gz KVZOMVPITHTFQM-OQIJWPOYSA-N 2 1 300.446 2.858 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000552244104 430593412 /nfs/dbraw/zinc/59/34/12/430593412.db2.gz VFKMEXGVRZCZNG-MRXNPFEDSA-N 2 1 312.461 2.907 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000552336416 430594557 /nfs/dbraw/zinc/59/45/57/430594557.db2.gz CJIPCHKADLFYCZ-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000552336416 430594561 /nfs/dbraw/zinc/59/45/61/430594561.db2.gz CJIPCHKADLFYCZ-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](CC3(C(C)C)CC3)CC2)CC1 ZINC000639274975 430596593 /nfs/dbraw/zinc/59/65/93/430596593.db2.gz GRAPTQUSXCJSSN-UHFFFAOYSA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)CC[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571040293 430598696 /nfs/dbraw/zinc/59/86/96/430598696.db2.gz AADNJACWYHGNJR-MOPGFXCFSA-N 2 1 304.478 2.895 20 0 DFADMP C[NH2+]C[C@@H]1C[C@H](F)CN1c1cc(C)[nH+]c2c(OC)cccc12 ZINC000643039009 430544938 /nfs/dbraw/zinc/54/49/38/430544938.db2.gz RVCVEUBMTRCKSE-STQMWFEESA-N 2 1 303.381 2.688 20 0 DFADMP COc1ccc(COCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000643064215 430547151 /nfs/dbraw/zinc/54/71/51/430547151.db2.gz XLPGSNNYAFOHBL-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CC[C@H](C)C2)cc1 ZINC000554800615 430652705 /nfs/dbraw/zinc/65/27/05/430652705.db2.gz WVMHTUZHTZXUJE-INIZCTEOSA-N 2 1 317.477 2.600 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000571790246 430654098 /nfs/dbraw/zinc/65/40/98/430654098.db2.gz DQTVFSXOFUGYBB-WBVHZDCISA-N 2 1 316.489 2.886 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C[C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000571790246 430654102 /nfs/dbraw/zinc/65/41/02/430654102.db2.gz DQTVFSXOFUGYBB-WBVHZDCISA-N 2 1 316.489 2.886 20 0 DFADMP COC[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000643456348 430602814 /nfs/dbraw/zinc/60/28/14/430602814.db2.gz TVHZMTQMYQQTFG-HZMBPMFUSA-N 2 1 302.340 2.590 20 0 DFADMP COC[C@H]([NH2+][C@H](C)[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000643456322 430603110 /nfs/dbraw/zinc/60/31/10/430603110.db2.gz LEUXRPASEJNLPF-ZLDLUXBVSA-N 2 1 316.367 2.981 20 0 DFADMP FC(F)CN1CCC([NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000643460068 430603913 /nfs/dbraw/zinc/60/39/13/430603913.db2.gz SJYICAVSVLHCQY-IRXDYDNUSA-N 2 1 323.431 2.799 20 0 DFADMP Cc1ccc(NC(=O)C2(C[NH2+][C@@H]3CC[NH2+]C3)CCCC2)cc1C ZINC000643460271 430604135 /nfs/dbraw/zinc/60/41/35/430604135.db2.gz HTPMDZIOYOWPQT-QGZVFWFLSA-N 2 1 315.461 2.754 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643457599 430604154 /nfs/dbraw/zinc/60/41/54/430604154.db2.gz PNSNJOIUXVYAEU-GURQWTFNSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643457599 430604157 /nfs/dbraw/zinc/60/41/57/430604157.db2.gz PNSNJOIUXVYAEU-GURQWTFNSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643457599 430604159 /nfs/dbraw/zinc/60/41/59/430604159.db2.gz PNSNJOIUXVYAEU-GURQWTFNSA-N 3 1 313.489 2.771 20 0 DFADMP CCc1cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643457184 430604822 /nfs/dbraw/zinc/60/48/22/430604822.db2.gz ASGMYGCHOGCBPW-WMZOPIPTSA-N 2 1 313.401 2.583 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127466 430605236 /nfs/dbraw/zinc/60/52/36/430605236.db2.gz XMJRSBRMLNWYDZ-HOJAQTOUSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127466 430605239 /nfs/dbraw/zinc/60/52/39/430605239.db2.gz XMJRSBRMLNWYDZ-HOJAQTOUSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127466 430605242 /nfs/dbraw/zinc/60/52/42/430605242.db2.gz XMJRSBRMLNWYDZ-HOJAQTOUSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000571127466 430605247 /nfs/dbraw/zinc/60/52/47/430605247.db2.gz XMJRSBRMLNWYDZ-HOJAQTOUSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000571127466 430605250 /nfs/dbraw/zinc/60/52/50/430605250.db2.gz XMJRSBRMLNWYDZ-HOJAQTOUSA-N 2 1 315.505 2.827 20 0 DFADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000643502393 430609760 /nfs/dbraw/zinc/60/97/60/430609760.db2.gz FHFCAEMEWFRZMT-FMKPAKJESA-N 2 1 306.450 2.928 20 0 DFADMP C[C@@H]1[C@@H](NC[C@@H]2CCCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000643502240 430610120 /nfs/dbraw/zinc/61/01/20/430610120.db2.gz AVAVLHIHALQQFA-NEWSRXKRSA-N 2 1 301.478 2.771 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1CC[C@H](C)C1)c1ccccc1 ZINC000553177850 430610240 /nfs/dbraw/zinc/61/02/40/430610240.db2.gz SODROYCBFTWMAN-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H](O)C1([NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639326696 430610269 /nfs/dbraw/zinc/61/02/69/430610269.db2.gz DAEGQGDJSGETAJ-ZVZYQTTQSA-N 2 1 300.446 2.858 20 0 DFADMP C[C@H](O)C1([NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639326696 430610273 /nfs/dbraw/zinc/61/02/73/430610273.db2.gz DAEGQGDJSGETAJ-ZVZYQTTQSA-N 2 1 300.446 2.858 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H](NCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000643507514 430612011 /nfs/dbraw/zinc/61/20/11/430612011.db2.gz HBLFZTJBEOUJHF-DFQSSKMNSA-N 2 1 313.489 2.629 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000643528373 430612703 /nfs/dbraw/zinc/61/27/03/430612703.db2.gz IHMXCJKTEUSERX-LSDHHAIUSA-N 2 1 324.428 2.911 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000643548377 430616422 /nfs/dbraw/zinc/61/64/22/430616422.db2.gz ONLQOVZABZXSCW-TZMCWYRMSA-N 2 1 323.506 2.966 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC[C@H]1CCO1 ZINC000639359631 430620402 /nfs/dbraw/zinc/62/04/02/430620402.db2.gz OLSHRRJRQOJZBL-QRQLOZEOSA-N 2 1 302.462 2.913 20 0 DFADMP COc1cc(C)[nH+]c(CN2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000639375347 430626683 /nfs/dbraw/zinc/62/66/83/430626683.db2.gz UDCYNJXEKABDEU-UHFFFAOYSA-N 2 1 303.450 2.849 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCOCC2CC2)cc1 ZINC000643882856 430638802 /nfs/dbraw/zinc/63/88/02/430638802.db2.gz ASDRUVRROBJKTI-DFNIBXOVSA-N 2 1 300.446 2.523 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCOCC2CC2)cc1 ZINC000643882856 430638804 /nfs/dbraw/zinc/63/88/04/430638804.db2.gz ASDRUVRROBJKTI-DFNIBXOVSA-N 2 1 300.446 2.523 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)S1 ZINC000571631523 430642506 /nfs/dbraw/zinc/64/25/06/430642506.db2.gz HFHTZEROVKSAAB-IYBDPMFKSA-N 2 1 320.502 2.845 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)S1 ZINC000571631523 430642509 /nfs/dbraw/zinc/64/25/09/430642509.db2.gz HFHTZEROVKSAAB-IYBDPMFKSA-N 2 1 320.502 2.845 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H]2CCN(C3CCC3)C2=O)CC1 ZINC000639454894 430643185 /nfs/dbraw/zinc/64/31/85/430643185.db2.gz JRAUKIFZXTYFMO-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571641151 430643365 /nfs/dbraw/zinc/64/33/65/430643365.db2.gz DJMYSNZWSFERHB-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP CCC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571641151 430643368 /nfs/dbraw/zinc/64/33/68/430643368.db2.gz DJMYSNZWSFERHB-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CCc2cnccn2)CC1 ZINC000639471574 430648307 /nfs/dbraw/zinc/64/83/07/430648307.db2.gz CUEURQSECVQPOT-UHFFFAOYSA-N 2 1 324.472 2.863 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)n1 ZINC000639543461 430666683 /nfs/dbraw/zinc/66/66/83/430666683.db2.gz HGARDRYHQAHZOK-BHIYHBOVSA-N 2 1 317.477 2.690 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c(C)n1 ZINC000639543461 430666686 /nfs/dbraw/zinc/66/66/86/430666686.db2.gz HGARDRYHQAHZOK-BHIYHBOVSA-N 2 1 317.477 2.690 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@H]2CCCC[C@@H]2O)CC1 ZINC000572044323 430669029 /nfs/dbraw/zinc/66/90/29/430669029.db2.gz DJHDURSKWWWYBX-WBVHZDCISA-N 2 1 304.434 2.784 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000556085713 430677798 /nfs/dbraw/zinc/67/77/98/430677798.db2.gz SWTTVVYTUBRPJP-SFHVURJKSA-N 2 1 306.425 2.821 20 0 DFADMP COCC[NH2+]C1CC[NH+](CCCOc2cc(C)ccc2C)CC1 ZINC000572295113 430680136 /nfs/dbraw/zinc/68/01/36/430680136.db2.gz UXFDWLUAFBERQQ-UHFFFAOYSA-N 2 1 320.477 2.773 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000121246578 278003618 /nfs/dbraw/zinc/00/36/18/278003618.db2.gz OZWVFRDXBJXSTR-RZFLPCETSA-N 2 1 306.494 2.902 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2C[C@H](C)O[C@]3(CCCOC3)C2)c(C)n1 ZINC000639623306 430683431 /nfs/dbraw/zinc/68/34/31/430683431.db2.gz IYFUARCHFLAJQP-MAUKXSAKSA-N 2 1 304.434 2.777 20 0 DFADMP Cc1cc(C)c(CN2C[C@H](C)O[C@]3(CCCOC3)C2)c(C)n1 ZINC000639623306 430683432 /nfs/dbraw/zinc/68/34/32/430683432.db2.gz IYFUARCHFLAJQP-MAUKXSAKSA-N 2 1 304.434 2.777 20 0 DFADMP COc1cncc(/C=C/CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000572359505 430683475 /nfs/dbraw/zinc/68/34/75/430683475.db2.gz KWYXPHRYFRBQLU-PFWMLDTASA-N 2 1 303.450 2.767 20 0 DFADMP COc1cncc(/C=C/CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000572359505 430683477 /nfs/dbraw/zinc/68/34/77/430683477.db2.gz KWYXPHRYFRBQLU-PFWMLDTASA-N 2 1 303.450 2.767 20 0 DFADMP COc1cncc(/C=C/CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000572359505 430683480 /nfs/dbraw/zinc/68/34/80/430683480.db2.gz KWYXPHRYFRBQLU-PFWMLDTASA-N 2 1 303.450 2.767 20 0 DFADMP C[N@@H+](Cc1cccc2c1CCOC2)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639625620 430683948 /nfs/dbraw/zinc/68/39/48/430683948.db2.gz BLVXSDSEACQXDB-OAHLLOKOSA-N 2 1 311.429 2.650 20 0 DFADMP C[N@H+](Cc1cccc2c1CCOC2)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639625620 430683951 /nfs/dbraw/zinc/68/39/51/430683951.db2.gz BLVXSDSEACQXDB-OAHLLOKOSA-N 2 1 311.429 2.650 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cnc(-c2ccncc2)s1 ZINC000572409200 430686467 /nfs/dbraw/zinc/68/64/67/430686467.db2.gz CDTXEMALVIVJGE-CJNGLKHVSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CCCC[NH+](C)C)C1 ZINC000572506783 430688872 /nfs/dbraw/zinc/68/88/72/430688872.db2.gz NNBVTUSAEJSGAV-CALCHBBNSA-N 2 1 311.514 2.593 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@H+](C)C2)cc(Cl)c1O ZINC000556779600 430692082 /nfs/dbraw/zinc/69/20/82/430692082.db2.gz CZRFJHWUTSSSAV-GFCCVEGCSA-N 2 1 312.841 2.876 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc(Cl)c1O ZINC000556779600 430692084 /nfs/dbraw/zinc/69/20/84/430692084.db2.gz CZRFJHWUTSSSAV-GFCCVEGCSA-N 2 1 312.841 2.876 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000359282680 278209021 /nfs/dbraw/zinc/20/90/21/278209021.db2.gz SVMWEHKUXGBFBS-HOTGVXAUSA-N 2 1 319.493 2.599 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000371985461 278259206 /nfs/dbraw/zinc/25/92/06/278259206.db2.gz SRFXCFPMHKJNJI-LPHOPBHVSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccoc1 ZINC000371985461 278259208 /nfs/dbraw/zinc/25/92/08/278259208.db2.gz SRFXCFPMHKJNJI-LPHOPBHVSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298251238 278332025 /nfs/dbraw/zinc/33/20/25/278332025.db2.gz DLERDKDTASTHLE-KRWDZBQOSA-N 3 1 316.493 2.905 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000237504834 278332300 /nfs/dbraw/zinc/33/23/00/278332300.db2.gz VHSHEMPFMLPUSM-AWEZNQCLSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCc2ccsc2)CC1 ZINC000360909171 278395003 /nfs/dbraw/zinc/39/50/03/278395003.db2.gz DBXWIADXJXEWRM-OAHLLOKOSA-N 2 1 310.507 2.705 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)s1 ZINC000644166210 430701036 /nfs/dbraw/zinc/70/10/36/430701036.db2.gz BPVJUQQRDWGBSI-SNVBAGLBSA-N 2 1 306.435 2.757 20 0 DFADMP Cc1cc2ccccc2nc1N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000664598646 430703312 /nfs/dbraw/zinc/70/33/12/430703312.db2.gz HVYRHGGEPGMGHY-QGZVFWFLSA-N 2 1 311.429 2.579 20 0 DFADMP CC(C)[C@H](O)[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657748893 430725120 /nfs/dbraw/zinc/72/51/20/430725120.db2.gz WTBRBVHYLBEPSS-MANSERQUSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@H](O)[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000657748893 430725123 /nfs/dbraw/zinc/72/51/23/430725123.db2.gz WTBRBVHYLBEPSS-MANSERQUSA-N 2 1 302.462 2.961 20 0 DFADMP CCCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657752885 430725654 /nfs/dbraw/zinc/72/56/54/430725654.db2.gz WDHDJFLAWUKUEI-IBGZPJMESA-N 2 1 302.462 2.982 20 0 DFADMP Fc1cc(Cl)cc(CNC2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657753285 430726146 /nfs/dbraw/zinc/72/61/46/430726146.db2.gz WINXVBAZKSOYBA-INIZCTEOSA-N 2 1 312.816 2.822 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc3c(c2)CCCC3)CC1 ZINC000644382413 430726477 /nfs/dbraw/zinc/72/64/77/430726477.db2.gz YJXWPWHEWITIAM-UHFFFAOYSA-N 2 1 315.505 2.683 20 0 DFADMP c1n[nH]cc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772077 430733545 /nfs/dbraw/zinc/73/35/45/430733545.db2.gz RCSKKNLJDKZKFI-GOSISDBHSA-N 2 1 310.445 2.802 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+]1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029544 288045596 /nfs/dbraw/zinc/04/55/96/288045596.db2.gz TYFLIQRIKGMWAF-HOTGVXAUSA-N 2 1 310.482 2.818 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@H+]1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029544 288045598 /nfs/dbraw/zinc/04/55/98/288045598.db2.gz TYFLIQRIKGMWAF-HOTGVXAUSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1ccc(CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644569486 430756639 /nfs/dbraw/zinc/75/66/39/430756639.db2.gz SHGPRKWFOVNTAX-HXUWFJFHSA-N 2 1 312.457 2.620 20 0 DFADMP Cc1ccc(CC[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644569486 430756644 /nfs/dbraw/zinc/75/66/44/430756644.db2.gz SHGPRKWFOVNTAX-HXUWFJFHSA-N 2 1 312.457 2.620 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)C(C)(C)C(F)F ZINC000657872793 430757369 /nfs/dbraw/zinc/75/73/69/430757369.db2.gz SHHMXBWKCYKJSL-ZDUSSCGKSA-N 2 1 305.457 2.529 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000657875474 430758433 /nfs/dbraw/zinc/75/84/33/430758433.db2.gz KQBSNWRZXHQLCX-MDZRGWNJSA-N 2 1 306.494 2.889 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000657875357 430759173 /nfs/dbraw/zinc/75/91/73/430759173.db2.gz CLMOEQRKRFAOAI-NWDGAFQWSA-N 2 1 312.255 2.837 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000657875357 430759176 /nfs/dbraw/zinc/75/91/76/430759176.db2.gz CLMOEQRKRFAOAI-NWDGAFQWSA-N 2 1 312.255 2.837 20 0 DFADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@@H+]1CC(C)C ZINC000657932176 430771447 /nfs/dbraw/zinc/77/14/47/430771447.db2.gz KGKFEIGZFGMQNT-ZWKOTPCHSA-N 2 1 312.498 2.528 20 0 DFADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H]1CCC[N@H+]1CC(C)C ZINC000657932176 430771450 /nfs/dbraw/zinc/77/14/50/430771450.db2.gz KGKFEIGZFGMQNT-ZWKOTPCHSA-N 2 1 312.498 2.528 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000644637907 430776062 /nfs/dbraw/zinc/77/60/62/430776062.db2.gz XETYRAAYJBCFCI-HSALFYBXSA-N 2 1 310.441 2.625 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1ccccc1 ZINC000644637907 430776064 /nfs/dbraw/zinc/77/60/64/430776064.db2.gz XETYRAAYJBCFCI-HSALFYBXSA-N 2 1 310.441 2.625 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nccs1 ZINC000658141437 430823335 /nfs/dbraw/zinc/82/33/35/430823335.db2.gz XCXJFVPADGEHLN-CJNGLKHVSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nccs1 ZINC000658141437 430823339 /nfs/dbraw/zinc/82/33/39/430823339.db2.gz XCXJFVPADGEHLN-CJNGLKHVSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139294 430824031 /nfs/dbraw/zinc/82/40/31/430824031.db2.gz QMCCFDTWXAFWQY-HNAYVOBHSA-N 2 1 314.429 2.567 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000658170459 430833469 /nfs/dbraw/zinc/83/34/69/430833469.db2.gz SPYXFZLDWJPJAX-PVAVHDDUSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000658170459 430833472 /nfs/dbraw/zinc/83/34/72/430833472.db2.gz SPYXFZLDWJPJAX-PVAVHDDUSA-N 2 1 324.415 2.911 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000644669381 430785484 /nfs/dbraw/zinc/78/54/84/430785484.db2.gz UBTXEAUUBFTBPQ-AQNXPRMDSA-N 2 1 316.489 2.895 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@H]1CCC[C@H]1C1CC1 ZINC000644669381 430785489 /nfs/dbraw/zinc/78/54/89/430785489.db2.gz UBTXEAUUBFTBPQ-AQNXPRMDSA-N 2 1 316.489 2.895 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000661640989 430788325 /nfs/dbraw/zinc/78/83/25/430788325.db2.gz CHYNISWCHUWDHV-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)Cc3ccoc3)C2)nc(C)[nH+]1 ZINC000648446236 430791572 /nfs/dbraw/zinc/79/15/72/430791572.db2.gz PHEXZMUJGXZXLQ-SUMWQHHRSA-N 2 1 314.433 2.876 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661693709 430806756 /nfs/dbraw/zinc/80/67/56/430806756.db2.gz SCGLFLSQBWIPPZ-ZWKOTPCHSA-N 2 1 308.441 2.551 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661693709 430806761 /nfs/dbraw/zinc/80/67/61/430806761.db2.gz SCGLFLSQBWIPPZ-ZWKOTPCHSA-N 2 1 308.441 2.551 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661693709 430806764 /nfs/dbraw/zinc/80/67/64/430806764.db2.gz SCGLFLSQBWIPPZ-ZWKOTPCHSA-N 2 1 308.441 2.551 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661693709 430806767 /nfs/dbraw/zinc/80/67/67/430806767.db2.gz SCGLFLSQBWIPPZ-ZWKOTPCHSA-N 2 1 308.441 2.551 20 0 DFADMP C[C@H]([NH2+]C[C@@H](CO)CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658257287 430854702 /nfs/dbraw/zinc/85/47/02/430854702.db2.gz ZEYYRJNDCADNNY-VDGAXYAQSA-N 2 1 316.489 2.895 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000651709140 430855713 /nfs/dbraw/zinc/85/57/13/430855713.db2.gz LSPQEULCIBLIEJ-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000651709140 430855718 /nfs/dbraw/zinc/85/57/18/430855718.db2.gz LSPQEULCIBLIEJ-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP COc1cc(OC)c(C[NH2+]CCCCn2cc[nH+]c2C)cc1F ZINC000651719776 430857833 /nfs/dbraw/zinc/85/78/33/430857833.db2.gz DOPPPBISYMBTHC-UHFFFAOYSA-N 2 1 321.396 2.918 20 0 DFADMP CC(C)[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665292368 430889173 /nfs/dbraw/zinc/88/91/73/430889173.db2.gz ZXFVYINEPOWUHJ-INIZCTEOSA-N 2 1 320.824 2.781 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665234995 430862898 /nfs/dbraw/zinc/86/28/98/430862898.db2.gz NVADHEBLZDBGDK-DGCLKSJQSA-N 2 1 316.371 2.896 20 0 DFADMP CC[N@H+]1C[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)[C@@H](C)C1 ZINC000651738184 430863186 /nfs/dbraw/zinc/86/31/86/430863186.db2.gz DJOKPXPHJZFKDD-HOCLYGCPSA-N 2 1 300.450 2.888 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)[C@@H](C)C1 ZINC000651738184 430863191 /nfs/dbraw/zinc/86/31/91/430863191.db2.gz DJOKPXPHJZFKDD-HOCLYGCPSA-N 2 1 300.450 2.888 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000648715699 430866226 /nfs/dbraw/zinc/86/62/26/430866226.db2.gz BNKAWPLHSFGVES-HNNXBMFYSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000648718063 430867621 /nfs/dbraw/zinc/86/76/21/430867621.db2.gz MQSDPMCKDNZFDU-INIZCTEOSA-N 2 1 320.481 2.635 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH3+])CCCC1 ZINC000665249576 430868348 /nfs/dbraw/zinc/86/83/48/430868348.db2.gz TTZZWCCVNZYFBY-FUHWJXTLSA-N 2 1 301.478 2.758 20 0 DFADMP Cc1ccc2oc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)cc2c1 ZINC000665261932 430874494 /nfs/dbraw/zinc/87/44/94/430874494.db2.gz ORPWEWLBTXKJJH-RCCFBDPRSA-N 2 1 314.429 2.988 20 0 DFADMP COCc1csc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000665263069 430874651 /nfs/dbraw/zinc/87/46/51/430874651.db2.gz FWCQPZAPBVUZGX-SUMWQHHRSA-N 2 1 304.459 2.943 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)on2)cc1 ZINC000665261737 430875168 /nfs/dbraw/zinc/87/51/68/430875168.db2.gz KFUFOGJFINKXCZ-DZGCQCFKSA-N 2 1 315.417 2.828 20 0 DFADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658330515 430877044 /nfs/dbraw/zinc/87/70/44/430877044.db2.gz DPHZPGVEQJUNMF-ZRSRNVLSSA-N 2 1 300.446 2.949 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000658351963 430882797 /nfs/dbraw/zinc/88/27/97/430882797.db2.gz BQXPIETYQHEYHX-QYZOEREBSA-N 3 1 305.510 2.571 20 0 DFADMP CN1CC[C@H]([NH2+]CC2CC[NH+](CC3CC3)CC2)[C@H]2CCC[C@@H]21 ZINC000658351963 430882801 /nfs/dbraw/zinc/88/28/01/430882801.db2.gz BQXPIETYQHEYHX-QYZOEREBSA-N 2 1 305.510 2.571 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000658353769 430882907 /nfs/dbraw/zinc/88/29/07/430882907.db2.gz RSCNSVMIJHYRPS-GNWGEKMJSA-N 2 1 314.473 2.790 20 0 DFADMP OCC1CC([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000658355724 430885404 /nfs/dbraw/zinc/88/54/04/430885404.db2.gz JGYNCLVJVAUWGX-DRRJLQACSA-N 2 1 314.473 2.648 20 0 DFADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)n1 ZINC000665291794 430886545 /nfs/dbraw/zinc/88/65/45/430886545.db2.gz LILJKPMPJNPALM-INIZCTEOSA-N 2 1 318.808 2.535 20 0 DFADMP C[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(C(C)(C)C)cc1 ZINC000665290747 430887706 /nfs/dbraw/zinc/88/77/06/430887706.db2.gz JPKOJVALUMJSFR-LBPRGKRZSA-N 2 1 314.433 2.789 20 0 DFADMP CC[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000658190032 430838450 /nfs/dbraw/zinc/83/84/50/430838450.db2.gz GNTPSLVLIJUBLJ-HCXYKTFWSA-N 2 1 302.462 2.790 20 0 DFADMP COc1cc(OC)c(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000651830030 430891762 /nfs/dbraw/zinc/89/17/62/430891762.db2.gz XYKIUMAPGZDMMB-CYBMUJFWSA-N 2 1 310.413 2.664 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000648801797 430898640 /nfs/dbraw/zinc/89/86/40/430898640.db2.gz CYUDVZDZFNOVDP-CVEARBPZSA-N 2 1 320.481 2.587 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)C[C@@H](C)n2cc[nH+]c2CC)C1 ZINC000648801797 430898645 /nfs/dbraw/zinc/89/86/45/430898645.db2.gz CYUDVZDZFNOVDP-CVEARBPZSA-N 2 1 320.481 2.587 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000648844972 430910820 /nfs/dbraw/zinc/91/08/20/430910820.db2.gz GMPVIAAJGLCILL-LSDHHAIUSA-N 2 1 320.481 2.585 20 0 DFADMP CCC(CC)CCC[N@@H+](C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000662037204 430930093 /nfs/dbraw/zinc/93/00/93/430930093.db2.gz GVSRAYWOOILNIW-UHFFFAOYSA-N 2 1 311.514 2.735 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648906145 430931595 /nfs/dbraw/zinc/93/15/95/430931595.db2.gz HRDXSOOBABORBN-LSDHHAIUSA-N 2 1 308.470 2.633 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648906145 430931600 /nfs/dbraw/zinc/93/16/00/430931600.db2.gz HRDXSOOBABORBN-LSDHHAIUSA-N 2 1 308.470 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCCCC[NH+]1CCCC1 ZINC000648914407 430935160 /nfs/dbraw/zinc/93/51/60/430935160.db2.gz CIMWLQREVAXIHT-MRXNPFEDSA-N 2 1 320.481 2.779 20 0 DFADMP FC1(F)Oc2ccc(CC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cc2O1 ZINC000652038174 430941834 /nfs/dbraw/zinc/94/18/34/430941834.db2.gz LRMJWILURXFXIJ-UONOGXRCSA-N 2 1 324.371 2.767 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN(CCCc3ccccc3Cl)CC2)C1 ZINC000662152460 430981014 /nfs/dbraw/zinc/98/10/14/430981014.db2.gz FLHRUILOYINHRK-QGZVFWFLSA-N 2 1 322.880 2.804 20 0 DFADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3csc4ccccc34)CC2)C1 ZINC000662155503 430982394 /nfs/dbraw/zinc/98/23/94/430982394.db2.gz JRSZJEUOTAELMA-MRXNPFEDSA-N 2 1 316.470 2.932 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3csc4ccccc34)CC2)C1 ZINC000662155503 430982397 /nfs/dbraw/zinc/98/23/97/430982397.db2.gz JRSZJEUOTAELMA-MRXNPFEDSA-N 2 1 316.470 2.932 20 0 DFADMP CCc1cc(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)nc(C)[nH+]1 ZINC000645371705 430984285 /nfs/dbraw/zinc/98/42/85/430984285.db2.gz GPRKZOBVIRYYJD-AEFFLSMTSA-N 2 1 310.445 3.105 20 0 DFADMP CCc1cc(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)nc(C)[nH+]1 ZINC000645371705 430984288 /nfs/dbraw/zinc/98/42/88/430984288.db2.gz GPRKZOBVIRYYJD-AEFFLSMTSA-N 2 1 310.445 3.105 20 0 DFADMP CC[N@@H+](CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000652216133 430990361 /nfs/dbraw/zinc/99/03/61/430990361.db2.gz JVMPLSUYHIGVCC-CVEARBPZSA-N 2 1 324.513 2.600 20 0 DFADMP COc1ccccc1[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258504 431020476 /nfs/dbraw/zinc/02/04/76/431020476.db2.gz VOALQPCFQNFXJG-NVXWUHKLSA-N 2 1 316.445 2.743 20 0 DFADMP Cc1cnn([C@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000662262422 431022180 /nfs/dbraw/zinc/02/21/80/431022180.db2.gz FKKBORCUULJXDD-SFHVURJKSA-N 2 1 310.445 2.674 20 0 DFADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662266129 431022977 /nfs/dbraw/zinc/02/29/77/431022977.db2.gz XXLIXFQPPNXPRN-KRWDZBQOSA-N 2 1 313.489 2.640 20 0 DFADMP c1cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662266129 431022980 /nfs/dbraw/zinc/02/29/80/431022980.db2.gz XXLIXFQPPNXPRN-KRWDZBQOSA-N 2 1 313.489 2.640 20 0 DFADMP CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339451 431025349 /nfs/dbraw/zinc/02/53/49/431025349.db2.gz VZNWDYJMAONKDE-WOJBJXKFSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339451 431025355 /nfs/dbraw/zinc/02/53/55/431025355.db2.gz VZNWDYJMAONKDE-WOJBJXKFSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339451 431025361 /nfs/dbraw/zinc/02/53/61/431025361.db2.gz VZNWDYJMAONKDE-WOJBJXKFSA-N 2 1 313.489 2.781 20 0 DFADMP Cc1cccc(OCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000652345481 431026272 /nfs/dbraw/zinc/02/62/72/431026272.db2.gz CLIYEDXFFOQLRO-JENIJYKNSA-N 2 1 318.461 2.592 20 0 DFADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349216 431027220 /nfs/dbraw/zinc/02/72/20/431027220.db2.gz FYOLGGDLUDQBJI-IPMKNSEASA-N 2 1 302.462 2.967 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000662271824 431027397 /nfs/dbraw/zinc/02/73/97/431027397.db2.gz JLLIPQZZYDSPJC-NSHDSACASA-N 2 1 302.340 2.988 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272644 431027654 /nfs/dbraw/zinc/02/76/54/431027654.db2.gz GNLQVJLCDDHAIB-QZTJIDSGSA-N 2 1 314.473 2.794 20 0 DFADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351189 431027993 /nfs/dbraw/zinc/02/79/93/431027993.db2.gz LJSQMPVACROSFF-YEWWUXTCSA-N 2 1 312.417 2.858 20 0 DFADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652351189 431027996 /nfs/dbraw/zinc/02/79/96/431027996.db2.gz LJSQMPVACROSFF-YEWWUXTCSA-N 2 1 312.417 2.858 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652350435 431028036 /nfs/dbraw/zinc/02/80/36/431028036.db2.gz YJPSCAJIAAIYKT-QOKNQOGYSA-N 2 1 315.461 2.637 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652350435 431028038 /nfs/dbraw/zinc/02/80/38/431028038.db2.gz YJPSCAJIAAIYKT-QOKNQOGYSA-N 2 1 315.461 2.637 20 0 DFADMP CC(C)c1cccc(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000662271998 431028208 /nfs/dbraw/zinc/02/82/08/431028208.db2.gz AZSUHXFMVCMCFS-GOSISDBHSA-N 2 1 302.462 2.997 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000662278603 431029501 /nfs/dbraw/zinc/02/95/01/431029501.db2.gz ZQSBUIHQOIHAIL-CYBMUJFWSA-N 2 1 300.349 2.514 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000645551000 431030522 /nfs/dbraw/zinc/03/05/22/431030522.db2.gz CGMGGVMORNYBPO-RHSMWYFYSA-N 2 1 315.461 2.998 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+])C1CCCC1 ZINC000652355054 431030931 /nfs/dbraw/zinc/03/09/31/431030931.db2.gz OCTMXKUPAMPTKD-DOTOQJQBSA-N 2 1 309.498 2.615 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@@H]1CC[NH3+] ZINC000652354546 431031381 /nfs/dbraw/zinc/03/13/81/431031381.db2.gz BQDVZHZTLFRIPQ-RDTXWAMCSA-N 2 1 316.424 2.961 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)[C@@H]1CC[NH3+] ZINC000652354546 431031389 /nfs/dbraw/zinc/03/13/89/431031389.db2.gz BQDVZHZTLFRIPQ-RDTXWAMCSA-N 2 1 316.424 2.961 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2CCOc2ccc(F)cc2)C1 ZINC000652360790 431032169 /nfs/dbraw/zinc/03/21/69/431032169.db2.gz QJSNTBUHJWKBAN-NXHRZFHOSA-N 2 1 322.424 2.565 20 0 DFADMP CC(C)(C)c1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)no1 ZINC000652363782 431032755 /nfs/dbraw/zinc/03/27/55/431032755.db2.gz NHODCPYPAXIQTO-NUEKZKHPSA-N 2 1 321.465 2.833 20 0 DFADMP CC(C)(C)c1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)no1 ZINC000652363782 431032758 /nfs/dbraw/zinc/03/27/58/431032758.db2.gz NHODCPYPAXIQTO-NUEKZKHPSA-N 2 1 321.465 2.833 20 0 DFADMP Cc1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360828 431033050 /nfs/dbraw/zinc/03/30/50/431033050.db2.gz RGAQDIBBUZGWPB-QXAKKESOSA-N 2 1 318.461 2.735 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCCc2ccccc2)C1 ZINC000652360804 431033257 /nfs/dbraw/zinc/03/32/57/431033257.db2.gz QRZFRFYTZUXXRZ-GUDVDZBRSA-N 2 1 302.462 2.980 20 0 DFADMP C[N@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)[NH3+] ZINC000662293817 431035321 /nfs/dbraw/zinc/03/53/21/431035321.db2.gz VZDCBZVGNSXBRD-UHFFFAOYSA-N 2 1 317.355 2.703 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc(C(F)(F)F)c1)CC(C)(C)[NH3+] ZINC000662293817 431035323 /nfs/dbraw/zinc/03/53/23/431035323.db2.gz VZDCBZVGNSXBRD-UHFFFAOYSA-N 2 1 317.355 2.703 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294222 431035924 /nfs/dbraw/zinc/03/59/24/431035924.db2.gz JQGQEXJEYQTJJU-QGZVFWFLSA-N 2 1 318.461 2.786 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000662388549 431069877 /nfs/dbraw/zinc/06/98/77/431069877.db2.gz OHTPHZVUMXQGDM-QAPCUYQASA-N 2 1 317.477 2.533 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000662318886 431047502 /nfs/dbraw/zinc/04/75/02/431047502.db2.gz ACYBBJGFZINXBG-SJLPKXTDSA-N 2 1 306.425 2.856 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000662318886 431047508 /nfs/dbraw/zinc/04/75/08/431047508.db2.gz ACYBBJGFZINXBG-SJLPKXTDSA-N 2 1 306.425 2.856 20 0 DFADMP CSc1ccccc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325627 431047847 /nfs/dbraw/zinc/04/78/47/431047847.db2.gz OGZNHFXQJLSATC-MRXNPFEDSA-N 2 1 308.491 2.951 20 0 DFADMP CSc1ccccc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662325627 431047851 /nfs/dbraw/zinc/04/78/51/431047851.db2.gz OGZNHFXQJLSATC-MRXNPFEDSA-N 2 1 308.491 2.951 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@](C)(C(F)F)O1 ZINC000662335581 431051300 /nfs/dbraw/zinc/05/13/00/431051300.db2.gz OHNUKXXAOXDOOE-SJKOYZFVSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C[C@](C)(C(F)F)O1 ZINC000662335581 431051304 /nfs/dbraw/zinc/05/13/04/431051304.db2.gz OHNUKXXAOXDOOE-SJKOYZFVSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000649293356 431057485 /nfs/dbraw/zinc/05/74/85/431057485.db2.gz OFVZOGGUMXFXJK-DVOMOZLQSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000649293356 431057489 /nfs/dbraw/zinc/05/74/89/431057489.db2.gz OFVZOGGUMXFXJK-DVOMOZLQSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)cc1 ZINC000649288185 431057839 /nfs/dbraw/zinc/05/78/39/431057839.db2.gz AOGSEWQYIIFMRI-NZPGVSJUSA-N 2 1 313.445 2.750 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649318867 431066034 /nfs/dbraw/zinc/06/60/34/431066034.db2.gz QSQRYUWJCONFDE-XJKCOSOUSA-N 2 1 323.868 2.719 20 0 DFADMP CCOc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248498 431012787 /nfs/dbraw/zinc/01/27/87/431012787.db2.gz DGUGUUDIMMSWBB-ZWKOTPCHSA-N 2 1 316.445 2.743 20 0 DFADMP C[N@H+](Cc1csc2ccccc12)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248955 431013000 /nfs/dbraw/zinc/01/30/00/431013000.db2.gz MKWFJZKWZUPOSD-CQSZACIVSA-N 2 1 302.443 2.854 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000662247323 431013188 /nfs/dbraw/zinc/01/31/88/431013188.db2.gz XBWAFFJWHVBAOW-UKRRQHHQSA-N 2 1 315.417 2.909 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000662247323 431013194 /nfs/dbraw/zinc/01/31/94/431013194.db2.gz XBWAFFJWHVBAOW-UKRRQHHQSA-N 2 1 315.417 2.909 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000662244447 431014022 /nfs/dbraw/zinc/01/40/22/431014022.db2.gz GXDDKYJCPVOBKY-DGCLKSJQSA-N 2 1 312.360 2.610 20 0 DFADMP OCC[N@@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000662254235 431015613 /nfs/dbraw/zinc/01/56/13/431015613.db2.gz GBFCEVMAYYINTO-NRFANRHFSA-N 2 1 322.452 2.814 20 0 DFADMP C[C@@H](O)C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000662256098 431015669 /nfs/dbraw/zinc/01/56/69/431015669.db2.gz GCNFHZLRFCARCU-OAHLLOKOSA-N 2 1 302.462 2.848 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662249905 431016425 /nfs/dbraw/zinc/01/64/25/431016425.db2.gz UUXLKKACUOKRRP-UHFFFAOYSA-N 2 1 323.440 2.711 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662249905 431016430 /nfs/dbraw/zinc/01/64/30/431016430.db2.gz UUXLKKACUOKRRP-UHFFFAOYSA-N 2 1 323.440 2.711 20 0 DFADMP c1ccc(SC[C@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256352 431018006 /nfs/dbraw/zinc/01/80/06/431018006.db2.gz IMJLILDXSCJXNX-HOTGVXAUSA-N 2 1 318.486 2.622 20 0 DFADMP c1ccc([C@H]2COCC[N@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662257934 431018318 /nfs/dbraw/zinc/01/83/18/431018318.db2.gz SWCMHJKBKHKQKK-HXUWFJFHSA-N 2 1 308.425 2.906 20 0 DFADMP c1ccc([C@H]2COCC[N@@H+]2Cc2cccc3c2CC[NH2+]C3)cc1 ZINC000662257934 431018323 /nfs/dbraw/zinc/01/83/23/431018323.db2.gz SWCMHJKBKHKQKK-HXUWFJFHSA-N 2 1 308.425 2.906 20 0 DFADMP Cc1nnsc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000649486192 431117660 /nfs/dbraw/zinc/11/76/60/431117660.db2.gz ARWMKVVOGZVBMY-UHFFFAOYSA-N 2 1 308.495 2.935 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000649501834 431126712 /nfs/dbraw/zinc/12/67/12/431126712.db2.gz YGMRDNBULAXXAI-SOLBZPMBSA-N 2 1 313.445 2.542 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000649501834 431126715 /nfs/dbraw/zinc/12/67/15/431126715.db2.gz YGMRDNBULAXXAI-SOLBZPMBSA-N 2 1 313.445 2.542 20 0 DFADMP FC1(F)CC[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655765078 431124537 /nfs/dbraw/zinc/12/45/37/431124537.db2.gz YGIKTTXBQJGNKA-UKRRQHHQSA-N 2 1 302.409 2.655 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649341791 431071051 /nfs/dbraw/zinc/07/10/51/431071051.db2.gz XCWORPCQYWKOMW-JKSUJKDBSA-N 2 1 323.868 2.673 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CCC(C)(C)[NH3+])cc1 ZINC000649345404 431071763 /nfs/dbraw/zinc/07/17/63/431071763.db2.gz ZKHYMOQSFPWSLO-ZDUSSCGKSA-N 2 1 314.433 2.875 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662401812 431073071 /nfs/dbraw/zinc/07/30/71/431073071.db2.gz BMDUGPFNEBRMQU-AWEZNQCLSA-N 2 1 315.461 2.530 20 0 DFADMP CC(C)[C@@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649378497 431082099 /nfs/dbraw/zinc/08/20/99/431082099.db2.gz AGEWSGUWOLRADC-WMZOPIPTSA-N 2 1 323.525 2.863 20 0 DFADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655686788 431083618 /nfs/dbraw/zinc/08/36/18/431083618.db2.gz DFJRDTYCCFGSEL-GOSISDBHSA-N 2 1 318.461 2.817 20 0 DFADMP c1ccc(CCCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655695568 431086841 /nfs/dbraw/zinc/08/68/41/431086841.db2.gz NDDCKHMPCSNOHT-IBGZPJMESA-N 2 1 302.462 2.852 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662457824 431087490 /nfs/dbraw/zinc/08/74/90/431087490.db2.gz SMKSPIOBYHYKCR-KRWDZBQOSA-N 2 1 317.477 2.527 20 0 DFADMP c1c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)sc2c1CCCC2 ZINC000655701813 431089650 /nfs/dbraw/zinc/08/96/50/431089650.db2.gz JAKVCQJFQLQTFZ-MRXNPFEDSA-N 2 1 320.502 2.970 20 0 DFADMP Oc1cccc2c1CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655714342 431093671 /nfs/dbraw/zinc/09/36/71/431093671.db2.gz AYMXDUHYPPWPLB-QAPCUYQASA-N 2 1 316.445 2.613 20 0 DFADMP C[N@H+](CCCC1CC[NH2+]CC1)Cc1nccn1CC(F)(F)F ZINC000649412106 431094213 /nfs/dbraw/zinc/09/42/13/431094213.db2.gz LFXXUSKRGWLMSR-UHFFFAOYSA-N 2 1 318.387 2.657 20 0 DFADMP C[N@@H+](CCCC1CC[NH2+]CC1)Cc1nccn1CC(F)(F)F ZINC000649412106 431094215 /nfs/dbraw/zinc/09/42/15/431094215.db2.gz LFXXUSKRGWLMSR-UHFFFAOYSA-N 2 1 318.387 2.657 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662486588 431095494 /nfs/dbraw/zinc/09/54/94/431095494.db2.gz MPVKIOORIWDJQQ-QGZVFWFLSA-N 2 1 317.477 2.527 20 0 DFADMP CCO[C@H](CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C(C)C ZINC000655718310 431096770 /nfs/dbraw/zinc/09/67/70/431096770.db2.gz ITEYHXOJSMAUCN-ZWKOTPCHSA-N 2 1 312.498 2.671 20 0 DFADMP Cc1cc(C)cc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655715229 431096914 /nfs/dbraw/zinc/09/69/14/431096914.db2.gz HSULKTGHROPINJ-LJQANCHMSA-N 2 1 302.462 2.689 20 0 DFADMP OCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000655721176 431098625 /nfs/dbraw/zinc/09/86/25/431098625.db2.gz MIJUJXCVYMDTRK-GOSISDBHSA-N 2 1 324.509 2.552 20 0 DFADMP Cc1cccc(O[C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655720331 431100012 /nfs/dbraw/zinc/10/00/12/431100012.db2.gz UCKORNMBGNGDDJ-AEFFLSMTSA-N 2 1 318.461 2.605 20 0 DFADMP COCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCC1 ZINC000655723810 431100909 /nfs/dbraw/zinc/10/09/09/431100909.db2.gz SZQJCHUIGFRGFG-SFHVURJKSA-N 2 1 324.509 2.816 20 0 DFADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655728466 431104245 /nfs/dbraw/zinc/10/42/45/431104245.db2.gz UZBSUBBYYZIVAZ-KBAYOESNSA-N 2 1 324.509 2.671 20 0 DFADMP COCC[N@@H+](CCc1ccncc1C)Cc1scnc1C ZINC000645894041 431105348 /nfs/dbraw/zinc/10/53/48/431105348.db2.gz WYQXBFKULSYKAM-UHFFFAOYSA-N 2 1 305.447 2.846 20 0 DFADMP CCC(CC)[C@@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)OC ZINC000655734416 431105924 /nfs/dbraw/zinc/10/59/24/431105924.db2.gz HSYXXIYIYMEXQD-ZWKOTPCHSA-N 2 1 312.498 2.671 20 0 DFADMP CCc1cc(CCC[N@@H+](C)C[C@@H]2CCc3nccn3C2)on1 ZINC000649460612 431108276 /nfs/dbraw/zinc/10/82/76/431108276.db2.gz AYEJRPAMXZYUMS-AWEZNQCLSA-N 2 1 302.422 2.561 20 0 DFADMP CCc1cc(CCC[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)on1 ZINC000649460612 431108280 /nfs/dbraw/zinc/10/82/80/431108280.db2.gz AYEJRPAMXZYUMS-AWEZNQCLSA-N 2 1 302.422 2.561 20 0 DFADMP CCc1cc(CCC[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)on1 ZINC000649460612 431108283 /nfs/dbraw/zinc/10/82/83/431108283.db2.gz AYEJRPAMXZYUMS-AWEZNQCLSA-N 2 1 302.422 2.561 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@@H+](CC2CC2)C1)CC1CCCCC1 ZINC000645953391 431129135 /nfs/dbraw/zinc/12/91/35/431129135.db2.gz RSPFGIRLGAPXNQ-QZTJIDSGSA-N 2 1 321.509 2.665 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000114376800 279042586 /nfs/dbraw/zinc/04/25/86/279042586.db2.gz ITPYKKBDUUSGFV-QZTJIDSGSA-N 2 1 319.493 2.772 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000358289681 288107913 /nfs/dbraw/zinc/10/79/13/288107913.db2.gz DCEIKWDMZTYNDU-LVQVYYBASA-N 2 1 312.523 2.750 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC000367118161 279170824 /nfs/dbraw/zinc/17/08/24/279170824.db2.gz YFRJHKMDPSAGKN-QGZVFWFLSA-N 2 1 313.449 2.862 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1CNc1cccc(C)n1 ZINC000367118161 279170826 /nfs/dbraw/zinc/17/08/26/279170826.db2.gz YFRJHKMDPSAGKN-QGZVFWFLSA-N 2 1 313.449 2.862 20 0 DFADMP c1cc(N2CCCC2)nc(NC2CC[NH+](C3CCC3)CC2)[nH+]1 ZINC000649515658 431136593 /nfs/dbraw/zinc/13/65/93/431136593.db2.gz CFCQNKUDOJPIPA-UHFFFAOYSA-N 2 1 301.438 2.506 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000655788494 431138089 /nfs/dbraw/zinc/13/80/89/431138089.db2.gz JVAZDSDQRFCLIE-SJLPKXTDSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309894095 279256319 /nfs/dbraw/zinc/25/63/19/279256319.db2.gz FVDWITMUFAASFT-NXWXRZEISA-N 3 1 301.478 2.614 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)[C@H]1c1cccs1 ZINC000646071308 431167974 /nfs/dbraw/zinc/16/79/74/431167974.db2.gz OUCZWOIKBNKDKJ-BBRMVZONSA-N 2 1 321.490 2.519 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646073976 431172279 /nfs/dbraw/zinc/17/22/79/431172279.db2.gz MRAXYWYEUISECR-AQNXPRMDSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646073976 431172284 /nfs/dbraw/zinc/17/22/84/431172284.db2.gz MRAXYWYEUISECR-AQNXPRMDSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](O)[C@H]1CCc1ccccc1 ZINC000646073976 431172290 /nfs/dbraw/zinc/17/22/90/431172290.db2.gz MRAXYWYEUISECR-AQNXPRMDSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+]1CCC[C@H]1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649582047 431174299 /nfs/dbraw/zinc/17/42/99/431174299.db2.gz WAFZDSPYZZPIBG-RBUKOAKNSA-N 2 1 301.478 2.897 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649582047 431174306 /nfs/dbraw/zinc/17/43/06/431174306.db2.gz WAFZDSPYZZPIBG-RBUKOAKNSA-N 2 1 301.478 2.897 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccn2)[C@H](C)C1 ZINC000655836209 431177214 /nfs/dbraw/zinc/17/72/14/431177214.db2.gz FXCQXLABKXCEGH-LMMKCTJWSA-N 2 1 319.493 2.739 20 0 DFADMP CC[C@H](CC(F)F)C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000659908405 431182856 /nfs/dbraw/zinc/18/28/56/431182856.db2.gz FGMXIVFEQAISKR-HZPDHXFCSA-N 2 1 317.468 2.770 20 0 DFADMP CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000659912118 431186012 /nfs/dbraw/zinc/18/60/12/431186012.db2.gz GJNFRHMTUMMLCY-SJLPKXTDSA-N 2 1 322.493 2.649 20 0 DFADMP CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000659912118 431186015 /nfs/dbraw/zinc/18/60/15/431186015.db2.gz GJNFRHMTUMMLCY-SJLPKXTDSA-N 2 1 322.493 2.649 20 0 DFADMP CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000659912118 431186018 /nfs/dbraw/zinc/18/60/18/431186018.db2.gz GJNFRHMTUMMLCY-SJLPKXTDSA-N 2 1 322.493 2.649 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CCC[C@H](O)C3)C2)CC1 ZINC000659865823 431157023 /nfs/dbraw/zinc/15/70/23/431157023.db2.gz QJQSEFVMZWIRLL-QYZOEREBSA-N 2 1 308.510 2.981 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000655806708 431158032 /nfs/dbraw/zinc/15/80/32/431158032.db2.gz ZPUNRVBIVRZPCK-IJXRJRJASA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000655806708 431158034 /nfs/dbraw/zinc/15/80/34/431158034.db2.gz ZPUNRVBIVRZPCK-IJXRJRJASA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000646139704 431205011 /nfs/dbraw/zinc/20/50/11/431205011.db2.gz HSQRTHFVORNHNC-BEFAXECRSA-N 2 1 318.461 2.556 20 0 DFADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000646139707 431205832 /nfs/dbraw/zinc/20/58/32/431205832.db2.gz HSQRTHFVORNHNC-KXBFYZLASA-N 2 1 318.461 2.556 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655907888 431213929 /nfs/dbraw/zinc/21/39/29/431213929.db2.gz PIEQXQZOWFSIAT-IAGOWNOFSA-N 2 1 316.449 2.544 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193828 431224051 /nfs/dbraw/zinc/22/40/51/431224051.db2.gz BAWBGPHSAAZCLB-IAGOWNOFSA-N 2 1 321.509 2.761 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000646193912 431224606 /nfs/dbraw/zinc/22/46/06/431224606.db2.gz GWDDJNNQMXROLL-OLMNPRSZSA-N 2 1 315.461 2.795 20 0 DFADMP C[C@H]1C[C@H](CCNC(=O)CC(C)(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000646264406 431248739 /nfs/dbraw/zinc/24/87/39/431248739.db2.gz ZVIDXBDHANKCLV-RDJZCZTQSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000660066383 431256243 /nfs/dbraw/zinc/25/62/43/431256243.db2.gz ZHZCXQOZSWZEKY-ZWKOTPCHSA-N 2 1 308.441 2.958 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000660066383 431256249 /nfs/dbraw/zinc/25/62/49/431256249.db2.gz ZHZCXQOZSWZEKY-ZWKOTPCHSA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC[C@@H]1CCc2ccccc21 ZINC000660145441 431290338 /nfs/dbraw/zinc/29/03/38/431290338.db2.gz RVRYWERFUSQQJA-IBGZPJMESA-N 2 1 315.505 2.676 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)C[C@@H]2CC[NH2+][C@H](C)C2)Oc2ccccc21 ZINC000666616085 431297597 /nfs/dbraw/zinc/29/75/97/431297597.db2.gz JZPYAKJXYPENNJ-ZACQAIPSSA-N 2 1 317.477 2.594 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CC12CC[NH2+]CC2)C1CCCCC1 ZINC000653200392 431305518 /nfs/dbraw/zinc/30/55/18/431305518.db2.gz CTHRVPQBYSZRMJ-QGZVFWFLSA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000656198223 431306353 /nfs/dbraw/zinc/30/63/53/431306353.db2.gz YMJALGGRGORENW-AQNXPRMDSA-N 2 1 315.505 2.929 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000656198223 431306357 /nfs/dbraw/zinc/30/63/57/431306357.db2.gz YMJALGGRGORENW-AQNXPRMDSA-N 2 1 315.505 2.929 20 0 DFADMP COc1c(C)ncnc1NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000656125189 431270889 /nfs/dbraw/zinc/27/08/89/431270889.db2.gz ZKWZLGYRRACUKW-CYBMUJFWSA-N 2 1 300.406 2.726 20 0 DFADMP C[N@@H+]1CCC[C@H](CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656123317 431271022 /nfs/dbraw/zinc/27/10/22/431271022.db2.gz KPZKKWNNWQGJRK-OAHLLOKOSA-N 2 1 317.481 2.857 20 0 DFADMP C[N@H+]1CCC[C@H](CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656123317 431271028 /nfs/dbraw/zinc/27/10/28/431271028.db2.gz KPZKKWNNWQGJRK-OAHLLOKOSA-N 2 1 317.481 2.857 20 0 DFADMP C[N@@H+]1CCC[C@@H](CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656123316 431271392 /nfs/dbraw/zinc/27/13/92/431271392.db2.gz KPZKKWNNWQGJRK-HNNXBMFYSA-N 2 1 317.481 2.857 20 0 DFADMP C[N@H+]1CCC[C@@H](CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000656123316 431271398 /nfs/dbraw/zinc/27/13/98/431271398.db2.gz KPZKKWNNWQGJRK-HNNXBMFYSA-N 2 1 317.481 2.857 20 0 DFADMP C[C@@H]1C[C@H](Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[N@@H+]1C ZINC000656128722 431275273 /nfs/dbraw/zinc/27/52/73/431275273.db2.gz DDIIZIQPKHHHQE-HUUCEWRRSA-N 2 1 317.481 2.998 20 0 DFADMP C[C@@H]1C[C@H](Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[N@H+]1C ZINC000656128722 431275282 /nfs/dbraw/zinc/27/52/82/431275282.db2.gz DDIIZIQPKHHHQE-HUUCEWRRSA-N 2 1 317.481 2.998 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660307296 431370133 /nfs/dbraw/zinc/37/01/33/431370133.db2.gz WASRMCIIHJCQDQ-SZMVWBNQSA-N 2 1 312.498 2.528 20 0 DFADMP C[N@H+]1CCN(CCC[NH+]2CCCCC2)[C@@H](Cc2ccccc2)C1 ZINC000649828062 431321046 /nfs/dbraw/zinc/32/10/46/431321046.db2.gz BPSASGAWNGWWQJ-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP Cn1cc(C[NH2+]C2CC[NH2+]CC2)c(-c2cc3ccccc3o2)n1 ZINC000666734201 431338811 /nfs/dbraw/zinc/33/88/11/431338811.db2.gz IWNGKACACUNXDT-UHFFFAOYSA-N 2 1 310.401 2.675 20 0 DFADMP COc1cc(CN[C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000660257894 431345529 /nfs/dbraw/zinc/34/55/29/431345529.db2.gz XQLVLLFBGAVJLQ-QWHCGFSZSA-N 2 1 309.479 2.894 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000660257894 431345532 /nfs/dbraw/zinc/34/55/32/431345532.db2.gz XQLVLLFBGAVJLQ-QWHCGFSZSA-N 2 1 309.479 2.894 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000660257894 431345535 /nfs/dbraw/zinc/34/55/35/431345535.db2.gz XQLVLLFBGAVJLQ-QWHCGFSZSA-N 2 1 309.479 2.894 20 0 DFADMP CC(C)CNC(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256003 431345857 /nfs/dbraw/zinc/34/58/57/431345857.db2.gz HNAIASHCISRPFK-SJORKVTESA-N 2 1 323.525 2.781 20 0 DFADMP COc1cc(CN[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000660257888 431346064 /nfs/dbraw/zinc/34/60/64/431346064.db2.gz XQLVLLFBGAVJLQ-CHWSQXEVSA-N 2 1 309.479 2.894 20 0 DFADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000660257888 431346068 /nfs/dbraw/zinc/34/60/68/431346068.db2.gz XQLVLLFBGAVJLQ-CHWSQXEVSA-N 2 1 309.479 2.894 20 0 DFADMP COc1cc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000660257888 431346073 /nfs/dbraw/zinc/34/60/73/431346073.db2.gz XQLVLLFBGAVJLQ-CHWSQXEVSA-N 2 1 309.479 2.894 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000653279590 431348886 /nfs/dbraw/zinc/34/88/86/431348886.db2.gz RRSORJQKMJRWIA-KYJSFNMBSA-N 2 1 304.434 2.556 20 0 DFADMP Brc1ccc2[nH+]ccc(NCC34CC(C3)C[NH2+]4)c2c1 ZINC000663274010 431350006 /nfs/dbraw/zinc/35/00/06/431350006.db2.gz KHLQZJGWSRSYHP-UHFFFAOYSA-N 2 1 318.218 2.583 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1 ZINC000660276656 431354182 /nfs/dbraw/zinc/35/41/82/431354182.db2.gz RLZCYPZTDWZSML-SFHVURJKSA-N 2 1 304.478 2.833 20 0 DFADMP CC(C)c1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000663326405 431367057 /nfs/dbraw/zinc/36/70/57/431367057.db2.gz IYIUGIYQGYHCPK-UHFFFAOYSA-N 2 1 303.494 2.926 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525836 431420564 /nfs/dbraw/zinc/42/05/64/431420564.db2.gz INIBHCIDVBNFDU-MOPGFXCFSA-N 2 1 304.478 2.562 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525836 431420570 /nfs/dbraw/zinc/42/05/70/431420570.db2.gz INIBHCIDVBNFDU-MOPGFXCFSA-N 2 1 304.478 2.562 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@H](Cc2ccc(C)cc2)C1 ZINC000653525836 431420573 /nfs/dbraw/zinc/42/05/73/431420573.db2.gz INIBHCIDVBNFDU-MOPGFXCFSA-N 2 1 304.478 2.562 20 0 DFADMP CO[C@@H](C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000660419660 431421602 /nfs/dbraw/zinc/42/16/02/431421602.db2.gz KQAWBCHIQPKVFP-RDJZCZTQSA-N 2 1 305.466 2.973 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000660419660 431421604 /nfs/dbraw/zinc/42/16/04/431421604.db2.gz KQAWBCHIQPKVFP-RDJZCZTQSA-N 2 1 305.466 2.973 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344365 431373578 /nfs/dbraw/zinc/37/35/78/431373578.db2.gz SAVPQFLVGXBIQO-KRWDZBQOSA-N 2 1 304.482 2.751 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344365 431373581 /nfs/dbraw/zinc/37/35/81/431373581.db2.gz SAVPQFLVGXBIQO-KRWDZBQOSA-N 2 1 304.482 2.751 20 0 DFADMP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)cnc12 ZINC000663345330 431375913 /nfs/dbraw/zinc/37/59/13/431375913.db2.gz IMFTYOJIPKLDJK-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1cccn2c(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000663345330 431375921 /nfs/dbraw/zinc/37/59/21/431375921.db2.gz IMFTYOJIPKLDJK-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344813 431375965 /nfs/dbraw/zinc/37/59/65/431375965.db2.gz XZMLMLRDFFCYJV-QGZVFWFLSA-N 2 1 304.482 2.984 20 0 DFADMP Cc1nn(C(C)C)cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344813 431375973 /nfs/dbraw/zinc/37/59/73/431375973.db2.gz XZMLMLRDFFCYJV-QGZVFWFLSA-N 2 1 304.482 2.984 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345341 431376177 /nfs/dbraw/zinc/37/61/77/431376177.db2.gz IQGCDRDVPIHKFQ-MRXNPFEDSA-N 2 1 318.509 2.757 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345341 431376180 /nfs/dbraw/zinc/37/61/80/431376180.db2.gz IQGCDRDVPIHKFQ-MRXNPFEDSA-N 2 1 318.509 2.757 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)c1 ZINC000656441411 431384341 /nfs/dbraw/zinc/38/43/41/431384341.db2.gz JAIFPDPKWWMSQN-AWEZNQCLSA-N 2 1 319.840 2.674 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)c1 ZINC000656441411 431384347 /nfs/dbraw/zinc/38/43/47/431384347.db2.gz JAIFPDPKWWMSQN-AWEZNQCLSA-N 2 1 319.840 2.674 20 0 DFADMP CC[C@@H]1CN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000653472120 431389846 /nfs/dbraw/zinc/38/98/46/431389846.db2.gz GQGHYCOOBMNNRL-CABCVRRESA-N 2 1 317.481 2.667 20 0 DFADMP CC[C@H]1CN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000653472121 431390033 /nfs/dbraw/zinc/39/00/33/431390033.db2.gz GQGHYCOOBMNNRL-GJZGRUSLSA-N 2 1 317.481 2.667 20 0 DFADMP CC[C@H](O)C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663369224 431390314 /nfs/dbraw/zinc/39/03/14/431390314.db2.gz ZESZMGJRWMQRDA-MSOLQXFVSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cnn(Cc3ccccc3Cl)c2)CC[NH2+]1 ZINC000666872576 431392753 /nfs/dbraw/zinc/39/27/53/431392753.db2.gz YPURNFXPAXGGLL-XJKSGUPXSA-N 2 1 318.852 2.815 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(NC3CCC([NH3+])CC3)n2)C1 ZINC000653472320 431393302 /nfs/dbraw/zinc/39/33/02/431393302.db2.gz MJDSZWFFEDSPKD-UHFFFAOYSA-N 2 1 303.454 2.785 20 0 DFADMP CN(Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015871 431403693 /nfs/dbraw/zinc/40/36/93/431403693.db2.gz RVIPCAMSDSCWHG-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015871 431403698 /nfs/dbraw/zinc/40/36/98/431403698.db2.gz RVIPCAMSDSCWHG-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015871 431403704 /nfs/dbraw/zinc/40/37/04/431403704.db2.gz RVIPCAMSDSCWHG-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015871 431403711 /nfs/dbraw/zinc/40/37/11/431403711.db2.gz RVIPCAMSDSCWHG-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015871 431403715 /nfs/dbraw/zinc/40/37/15/431403715.db2.gz RVIPCAMSDSCWHG-OTWHNJEPSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995390 431438015 /nfs/dbraw/zinc/43/80/15/431438015.db2.gz MRKKDIDIJBFNRC-NZSAHSFTSA-N 2 1 313.489 2.771 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995390 431438020 /nfs/dbraw/zinc/43/80/20/431438020.db2.gz MRKKDIDIJBFNRC-NZSAHSFTSA-N 2 1 313.489 2.771 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)[nH+]1 ZINC000663483087 431441563 /nfs/dbraw/zinc/44/15/63/431441563.db2.gz YSYASZCDZJNJCR-KRWDZBQOSA-N 2 1 317.477 2.831 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000647019220 431448576 /nfs/dbraw/zinc/44/85/76/431448576.db2.gz IBCSPNQNHKQUQG-CYBMUJFWSA-N 2 1 315.339 2.587 20 0 DFADMP COCC1(CNc2cc(C(F)(F)F)cc(C)[nH+]2)CC[NH2+]CC1 ZINC000656608185 431449154 /nfs/dbraw/zinc/44/91/54/431449154.db2.gz XRXHAMIEPJJJJM-UHFFFAOYSA-N 2 1 317.355 2.837 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000660475947 431450261 /nfs/dbraw/zinc/45/02/61/431450261.db2.gz ZZLJUSIVBHIMDV-FUHWJXTLSA-N 2 1 318.461 2.943 20 0 DFADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000663514787 431453649 /nfs/dbraw/zinc/45/36/49/431453649.db2.gz TUNBNNWYJNSXNM-UWVGGRQHSA-N 2 1 303.219 2.717 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000647084390 431456735 /nfs/dbraw/zinc/45/67/35/431456735.db2.gz WPVZNUQWDGXZGG-FUHWJXTLSA-N 2 1 317.477 2.630 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cn(C)cn3)C2)s1 ZINC000660497079 431459615 /nfs/dbraw/zinc/45/96/15/431459615.db2.gz KZEQHIHRDFYZNT-HNNXBMFYSA-N 2 1 318.490 2.744 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660432831 431426878 /nfs/dbraw/zinc/42/68/78/431426878.db2.gz XXEGFTOAGOSECE-QRQLOZEOSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660432831 431426884 /nfs/dbraw/zinc/42/68/84/431426884.db2.gz XXEGFTOAGOSECE-QRQLOZEOSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccc([C@@H]2C[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660432831 431426894 /nfs/dbraw/zinc/42/68/94/431426894.db2.gz XXEGFTOAGOSECE-QRQLOZEOSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CCCc2c[nH+]cn2C)n1 ZINC000653551254 431430987 /nfs/dbraw/zinc/43/09/87/431430987.db2.gz HDWHCLVMGUIQJC-SFHVURJKSA-N 2 1 315.465 2.721 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CCCc2c[nH+]cn2C)n1 ZINC000653551254 431430993 /nfs/dbraw/zinc/43/09/93/431430993.db2.gz HDWHCLVMGUIQJC-SFHVURJKSA-N 2 1 315.465 2.721 20 0 DFADMP CCOc1ccc([C@@H](COC)[NH2+]CCCc2c[nH+]cn2C)cc1 ZINC000653665158 431480087 /nfs/dbraw/zinc/48/00/87/431480087.db2.gz WGYAKBVLWIKAFA-GOSISDBHSA-N 2 1 317.433 2.729 20 0 DFADMP c1ccc2c(c1)ccnc2C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000666979011 431431247 /nfs/dbraw/zinc/43/12/47/431431247.db2.gz YCQLZYVNYUYBHZ-UHFFFAOYSA-N 2 1 324.472 2.541 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c(C)n1 ZINC000663467224 431431703 /nfs/dbraw/zinc/43/17/03/431431703.db2.gz DSMKUURZODVWRQ-GUYCJALGSA-N 2 1 302.466 2.866 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000663467224 431431709 /nfs/dbraw/zinc/43/17/09/431431709.db2.gz DSMKUURZODVWRQ-GUYCJALGSA-N 2 1 302.466 2.866 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCc2cncn2C)C1 ZINC000653556727 431436797 /nfs/dbraw/zinc/43/67/97/431436797.db2.gz FVYUIDIYCPLMCO-QZTJIDSGSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCc2cncn2C)C1 ZINC000653556727 431436803 /nfs/dbraw/zinc/43/68/03/431436803.db2.gz FVYUIDIYCPLMCO-QZTJIDSGSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000653556727 431436809 /nfs/dbraw/zinc/43/68/09/431436809.db2.gz FVYUIDIYCPLMCO-QZTJIDSGSA-N 2 1 318.509 2.939 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3nsc4ccccc43)C2)C1 ZINC000660616314 431518112 /nfs/dbraw/zinc/51/81/12/431518112.db2.gz JNZRGKXTVHVFLI-QGZVFWFLSA-N 2 1 301.459 2.866 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCc3nsc4ccccc43)C2)C1 ZINC000660616314 431518115 /nfs/dbraw/zinc/51/81/15/431518115.db2.gz JNZRGKXTVHVFLI-QGZVFWFLSA-N 2 1 301.459 2.866 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660616314 431518123 /nfs/dbraw/zinc/51/81/23/431518123.db2.gz JNZRGKXTVHVFLI-QGZVFWFLSA-N 2 1 301.459 2.866 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCc3nsc4ccccc43)C2)C1 ZINC000660616314 431518127 /nfs/dbraw/zinc/51/81/27/431518127.db2.gz JNZRGKXTVHVFLI-QGZVFWFLSA-N 2 1 301.459 2.866 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(OC)c1 ZINC000656783871 431519098 /nfs/dbraw/zinc/51/90/98/431519098.db2.gz AYIOXJZMYAUWSX-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ncncc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000647176427 431496488 /nfs/dbraw/zinc/49/64/88/431496488.db2.gz HEOLGMLUXPWPPX-UHFFFAOYSA-N 2 1 314.433 2.615 20 0 DFADMP COc1ncncc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000647176427 431496494 /nfs/dbraw/zinc/49/64/94/431496494.db2.gz HEOLGMLUXPWPPX-UHFFFAOYSA-N 2 1 314.433 2.615 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)C1 ZINC000647177183 431496571 /nfs/dbraw/zinc/49/65/71/431496571.db2.gz OUXJTHFFYNVXFQ-OAHLLOKOSA-N 2 1 316.449 2.810 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647200749 431506802 /nfs/dbraw/zinc/50/68/02/431506802.db2.gz DOVWNFPSMZMWKG-GOSISDBHSA-N 2 1 314.473 2.936 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647200749 431506808 /nfs/dbraw/zinc/50/68/08/431506808.db2.gz DOVWNFPSMZMWKG-GOSISDBHSA-N 2 1 314.473 2.936 20 0 DFADMP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647197906 431507560 /nfs/dbraw/zinc/50/75/60/431507560.db2.gz ULVYYVHMOACLOO-RYQLBKOJSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647197906 431507569 /nfs/dbraw/zinc/50/75/69/431507569.db2.gz ULVYYVHMOACLOO-RYQLBKOJSA-N 2 1 300.446 2.951 20 0 DFADMP O[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647205665 431509616 /nfs/dbraw/zinc/50/96/16/431509616.db2.gz LPQJSWSJVRWIRS-CEXWTWQISA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CC[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647205665 431509621 /nfs/dbraw/zinc/50/96/21/431509621.db2.gz LPQJSWSJVRWIRS-CEXWTWQISA-N 2 1 314.473 2.934 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000647214985 431512983 /nfs/dbraw/zinc/51/29/83/431512983.db2.gz AUWNWFXABSKEEK-MQVJKMGUSA-N 2 1 314.433 2.703 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000647214985 431512985 /nfs/dbraw/zinc/51/29/85/431512985.db2.gz AUWNWFXABSKEEK-MQVJKMGUSA-N 2 1 314.433 2.703 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H](C)C1 ZINC000647339157 431557021 /nfs/dbraw/zinc/55/70/21/431557021.db2.gz JYXCCCKZMFLKLZ-NRSFXHEJSA-N 2 1 303.450 2.622 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@H]1CCOC1 ZINC000647343906 431559426 /nfs/dbraw/zinc/55/94/26/431559426.db2.gz FSKVJLJXCXNMGH-AKHDSKFASA-N 2 1 302.462 2.737 20 0 DFADMP C[N@@H+](CCN1CCC[C@@]2(CC[NH+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661371 431535144 /nfs/dbraw/zinc/53/51/44/431535144.db2.gz CTRZZVWZISXDII-IBGZPJMESA-N 2 1 319.468 2.675 20 0 DFADMP C[NH+](CCN1CCC[C@@]2(CC[N@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661371 431535152 /nfs/dbraw/zinc/53/51/52/431535152.db2.gz CTRZZVWZISXDII-IBGZPJMESA-N 2 1 319.468 2.675 20 0 DFADMP C[NH+](CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661371 431535161 /nfs/dbraw/zinc/53/51/61/431535161.db2.gz CTRZZVWZISXDII-IBGZPJMESA-N 2 1 319.468 2.675 20 0 DFADMP CCC(C)(C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000653811252 431535870 /nfs/dbraw/zinc/53/58/70/431535870.db2.gz BCSICPBUZPBIKE-UHFFFAOYSA-N 2 1 303.494 2.925 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cc2n(n1)CCCC2 ZINC000647287674 431538488 /nfs/dbraw/zinc/53/84/88/431538488.db2.gz PIUVTPLIVQJGDW-ZIAGYGMSSA-N 2 1 301.438 2.711 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2[nH+]ccc3[nH]ccc32)C1 ZINC000663787260 431540786 /nfs/dbraw/zinc/54/07/86/431540786.db2.gz GPXZXWICNRSXNE-MRXNPFEDSA-N 2 1 322.412 2.742 20 0 DFADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647297806 431542352 /nfs/dbraw/zinc/54/23/52/431542352.db2.gz GLQWFOWXYGIQSS-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@](C)(CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647297806 431542358 /nfs/dbraw/zinc/54/23/58/431542358.db2.gz GLQWFOWXYGIQSS-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP Cc1cc(CO)cc(N[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000663806466 431548426 /nfs/dbraw/zinc/54/84/26/431548426.db2.gz ZTSGLIOXMMTRDR-KBXCAEBGSA-N 2 1 311.429 2.815 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H]2CCC[C@H]21 ZINC000647338379 431554174 /nfs/dbraw/zinc/55/41/74/431554174.db2.gz LWYQMTUDPTYEGO-UJWQCDCRSA-N 2 1 315.461 2.764 20 0 DFADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158910378 280035868 /nfs/dbraw/zinc/03/58/68/280035868.db2.gz QGRPTRRYRYISDQ-IEZWGBDMSA-N 2 1 302.462 2.602 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3scnc3C3CC3)C2)C1 ZINC000650707744 431652847 /nfs/dbraw/zinc/65/28/47/431652847.db2.gz MGLRRVKRLOKGBG-RBSFLKMASA-N 2 1 321.490 2.739 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1F ZINC000650707849 431654342 /nfs/dbraw/zinc/65/43/42/431654342.db2.gz ODOJOJIOAXBQSN-YSVLISHTSA-N 2 1 322.424 2.553 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3csc(C4CC4)n3)C2)C1 ZINC000650707006 431654752 /nfs/dbraw/zinc/65/47/52/431654752.db2.gz WUFNUKZMHGNEMZ-FMKPAKJESA-N 2 1 321.490 2.739 20 0 DFADMP CCN(CC)[C@@H](C[NH2+]Cc1nc(C)c[nH]1)c1cccc(OC)c1 ZINC000657298686 431655470 /nfs/dbraw/zinc/65/54/70/431655470.db2.gz XWEHQJVGWCNJAG-KRWDZBQOSA-N 2 1 316.449 2.899 20 0 DFADMP CCN(CC)[C@H](C[NH2+]Cc1nc(C)c[nH]1)c1cccc(OC)c1 ZINC000657298687 431656899 /nfs/dbraw/zinc/65/68/99/431656899.db2.gz XWEHQJVGWCNJAG-QGZVFWFLSA-N 2 1 316.449 2.899 20 0 DFADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)n1-c1ccccc1 ZINC000650709321 431657037 /nfs/dbraw/zinc/65/70/37/431657037.db2.gz RDJVZCXDFBVROG-LPHOPBHVSA-N 2 1 310.445 2.742 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2cccs2)n1 ZINC000650709099 431657051 /nfs/dbraw/zinc/65/70/51/431657051.db2.gz AQVCJVJDTPNPGX-YOEHRIQHSA-N 2 1 316.474 2.709 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3ccncc3)s1)C2 ZINC000650709369 431657155 /nfs/dbraw/zinc/65/71/55/431657155.db2.gz WFNYYTDVOYTFKF-YOEHRIQHSA-N 2 1 314.458 2.766 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@@H]1CC[NH3+] ZINC000650711467 431659817 /nfs/dbraw/zinc/65/98/17/431659817.db2.gz UOGZIGLBNOWPOG-NVXWUHKLSA-N 2 1 302.466 2.631 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712786 431660082 /nfs/dbraw/zinc/66/00/82/431660082.db2.gz UHKYGBVCOQHARQ-UHFFFAOYSA-N 3 1 303.494 2.863 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712786 431660088 /nfs/dbraw/zinc/66/00/88/431660088.db2.gz UHKYGBVCOQHARQ-UHFFFAOYSA-N 2 1 303.494 2.863 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cccc(OCCCOC)c2)CC[C@H]1[NH3+] ZINC000647498849 431608942 /nfs/dbraw/zinc/60/89/42/431608942.db2.gz RYFLDMXXMMFVHP-FUHWJXTLSA-N 2 1 306.450 2.661 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc(OC)c(OC)cc2SC)CC[C@@H]1[NH3+] ZINC000647498910 431609781 /nfs/dbraw/zinc/60/97/81/431609781.db2.gz TZXOCHIQLZNSLO-OCCSQVGLSA-N 2 1 324.490 2.985 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2SC)CC[C@@H]1[NH3+] ZINC000647498910 431609787 /nfs/dbraw/zinc/60/97/87/431609787.db2.gz TZXOCHIQLZNSLO-OCCSQVGLSA-N 2 1 324.490 2.985 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH2+]C1 ZINC000647515489 431613671 /nfs/dbraw/zinc/61/36/71/431613671.db2.gz HRPOLKDJJOLTGM-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP Nc1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532609 431616933 /nfs/dbraw/zinc/61/69/33/431616933.db2.gz UCZVXDHKRMUURE-MOPGFXCFSA-N 2 1 324.472 2.666 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)nc1 ZINC000647536373 431619202 /nfs/dbraw/zinc/61/92/02/431619202.db2.gz HSPWPFXARIGINR-APWZRJJASA-N 2 1 311.429 2.655 20 0 DFADMP COc1c(O)cccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543121 431623812 /nfs/dbraw/zinc/62/38/12/431623812.db2.gz HVNCLXWGSZIZCL-CABCVRRESA-N 2 1 304.434 2.612 20 0 DFADMP CC(C)(C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000647545489 431624554 /nfs/dbraw/zinc/62/45/54/431624554.db2.gz WQSDOGOJZLOXQC-KRWDZBQOSA-N 2 1 302.462 2.652 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543429 431624621 /nfs/dbraw/zinc/62/46/21/431624621.db2.gz NHBPVISWIHUEEV-CVEARBPZSA-N 2 1 318.461 2.915 20 0 DFADMP COCc1cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000647544232 431625359 /nfs/dbraw/zinc/62/53/59/431625359.db2.gz YKKGMRYTXAMPEC-UONOGXRCSA-N 2 1 309.479 2.501 20 0 DFADMP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000650720052 431664598 /nfs/dbraw/zinc/66/45/98/431664598.db2.gz DABHGECPOXZWPR-PMACEKPBSA-N 3 1 309.457 2.989 20 0 DFADMP C[NH2+]Cc1ccccc1CN[C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000650720052 431664605 /nfs/dbraw/zinc/66/46/05/431664605.db2.gz DABHGECPOXZWPR-PMACEKPBSA-N 2 1 309.457 2.989 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c2c1C ZINC000647708404 431664910 /nfs/dbraw/zinc/66/49/10/431664910.db2.gz KWHHFLQKDYERCG-LSDHHAIUSA-N 2 1 313.449 2.791 20 0 DFADMP CCc1cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723980 431666949 /nfs/dbraw/zinc/66/69/49/431666949.db2.gz WLGKPBQAYXFJQS-CFVMTHIKSA-N 2 1 309.479 2.566 20 0 DFADMP C[N@H+](Cc1cc(-c2ccco2)on1)C[C@@H]1CCn2ccnc2C1 ZINC000664140113 431667984 /nfs/dbraw/zinc/66/79/84/431667984.db2.gz SEMKBZMZLOKLOH-CYBMUJFWSA-N 2 1 312.373 2.826 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657312590 431669947 /nfs/dbraw/zinc/66/99/47/431669947.db2.gz ADDXRVBAUOMTFJ-UHFFFAOYSA-N 2 1 324.472 2.892 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000657318292 431673555 /nfs/dbraw/zinc/67/35/55/431673555.db2.gz ISJQDPDJBBWUAF-OAHLLOKOSA-N 2 1 317.433 2.785 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000657332722 431679196 /nfs/dbraw/zinc/67/91/96/431679196.db2.gz ODIUADQHPAIXLM-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc3n(n2)CCC3)c1 ZINC000657332722 431679199 /nfs/dbraw/zinc/67/91/99/431679199.db2.gz ODIUADQHPAIXLM-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000650755936 431681799 /nfs/dbraw/zinc/68/17/99/431681799.db2.gz PUAIBKWKMJLFHD-CGTJXYLNSA-N 3 1 305.441 2.685 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(F)c1 ZINC000650755937 431682552 /nfs/dbraw/zinc/68/25/52/431682552.db2.gz PUAIBKWKMJLFHD-KBAYOESNSA-N 3 1 305.441 2.685 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(F)c1 ZINC000650755935 431683044 /nfs/dbraw/zinc/68/30/44/431683044.db2.gz PUAIBKWKMJLFHD-BPQIPLTHSA-N 3 1 305.441 2.685 20 0 DFADMP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650762676 431683843 /nfs/dbraw/zinc/68/38/43/431683843.db2.gz HSMLKOINMZIDRG-FXAWDEMLSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000650762676 431683848 /nfs/dbraw/zinc/68/38/48/431683848.db2.gz HSMLKOINMZIDRG-FXAWDEMLSA-N 2 1 315.505 2.876 20 0 DFADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000647800397 431690996 /nfs/dbraw/zinc/69/09/96/431690996.db2.gz ANUPVGXJWSKWKT-NNIGNNQHSA-N 2 1 300.446 2.537 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657347754 431691723 /nfs/dbraw/zinc/69/17/23/431691723.db2.gz GAKPCROPSNLOEC-GFCCVEGCSA-N 2 1 318.387 2.649 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657347754 431691729 /nfs/dbraw/zinc/69/17/29/431691729.db2.gz GAKPCROPSNLOEC-GFCCVEGCSA-N 2 1 318.387 2.649 20 0 DFADMP CC[C@@H]1CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000657350357 431693164 /nfs/dbraw/zinc/69/31/64/431693164.db2.gz VOGJJWALKSQXRW-BRWVUGGUSA-N 2 1 309.498 2.522 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657349400 431693623 /nfs/dbraw/zinc/69/36/23/431693623.db2.gz FSRFWLNCNLOETH-LXPRWKDFSA-N 2 1 321.509 2.522 20 0 DFADMP Cc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)c2cc(F)ccc2[nH+]1 ZINC000290875601 280560434 /nfs/dbraw/zinc/56/04/34/280560434.db2.gz BHGZUTBEJBEYLV-UHFFFAOYSA-N 2 1 311.364 2.732 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1 ZINC000647814338 431696731 /nfs/dbraw/zinc/69/67/31/431696731.db2.gz JJJLXKPREDARBW-UHFFFAOYSA-N 2 1 304.434 2.681 20 0 DFADMP CC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000657359715 431700746 /nfs/dbraw/zinc/70/07/46/431700746.db2.gz XOQCGUSYIIUVNB-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1cccc2ccccc21 ZINC000647849269 431707256 /nfs/dbraw/zinc/70/72/56/431707256.db2.gz NMFALXLCXRUWHX-CABCVRRESA-N 2 1 313.445 2.686 20 0 DFADMP C[C@@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1cccc2ccccc21 ZINC000647849269 431707260 /nfs/dbraw/zinc/70/72/60/431707260.db2.gz NMFALXLCXRUWHX-CABCVRRESA-N 2 1 313.445 2.686 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C1 ZINC000664234770 431709287 /nfs/dbraw/zinc/70/92/87/431709287.db2.gz AMWYJJZMKKZCQT-MRXNPFEDSA-N 2 1 322.412 2.742 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000657376552 431711337 /nfs/dbraw/zinc/71/13/37/431711337.db2.gz RYFDRBCWBYOJDR-YQQAZPJKSA-N 2 1 306.450 2.673 20 0 DFADMP CC1([NH3+])CC[NH+](CCOc2ccccc2C(F)(F)F)CC1 ZINC000647925325 431730182 /nfs/dbraw/zinc/73/01/82/431730182.db2.gz DHBUOEQQCSCKNM-UHFFFAOYSA-N 2 1 302.340 2.897 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000647937433 431737828 /nfs/dbraw/zinc/73/78/28/431737828.db2.gz ZBWBEWDGWXNNBS-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429985 431747189 /nfs/dbraw/zinc/74/71/89/431747189.db2.gz OEWPGCIZEWQDCY-HUUCEWRRSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429985 431747197 /nfs/dbraw/zinc/74/71/97/431747197.db2.gz OEWPGCIZEWQDCY-HUUCEWRRSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429250 431747845 /nfs/dbraw/zinc/74/78/45/431747845.db2.gz HCSINBPCHCMZOY-LSDHHAIUSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@H]([NH2+]Cc1cnn2c1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429250 431747849 /nfs/dbraw/zinc/74/78/49/431747849.db2.gz HCSINBPCHCMZOY-LSDHHAIUSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429986 431748481 /nfs/dbraw/zinc/74/84/81/431748481.db2.gz OEWPGCIZEWQDCY-LSDHHAIUSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429986 431748489 /nfs/dbraw/zinc/74/84/89/431748489.db2.gz OEWPGCIZEWQDCY-LSDHHAIUSA-N 2 1 302.466 2.572 20 0 DFADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnc2n1CCC2 ZINC000657440080 431753170 /nfs/dbraw/zinc/75/31/70/431753170.db2.gz RLVVTVBUNMYUFE-UHFFFAOYSA-N 2 1 304.482 2.964 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCC[C@@H](O)C3)C2)[nH+]1 ZINC000647964766 431753904 /nfs/dbraw/zinc/75/39/04/431753904.db2.gz ZXAHGSMJHALMBX-YESZJQIVSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCC[C@@H](O)C3)C2)[nH+]1 ZINC000647964766 431753910 /nfs/dbraw/zinc/75/39/10/431753910.db2.gz ZXAHGSMJHALMBX-YESZJQIVSA-N 2 1 303.450 2.675 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647978267 431760910 /nfs/dbraw/zinc/76/09/10/431760910.db2.gz PBRLNOJYPOGPRK-ZWKOTPCHSA-N 2 1 315.461 2.857 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975269 431761850 /nfs/dbraw/zinc/76/18/50/431761850.db2.gz TYYQAXMLQZJDPP-IAGOWNOFSA-N 2 1 321.509 2.537 20 0 DFADMP c1coc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)c1 ZINC000647975837 431763446 /nfs/dbraw/zinc/76/34/46/431763446.db2.gz GPCQAMIODCIOKO-KGLIPLIRSA-N 2 1 316.405 2.541 20 0 DFADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647882132 431715775 /nfs/dbraw/zinc/71/57/75/431715775.db2.gz MRJWJSMBUXESDN-KRWDZBQOSA-N 2 1 312.461 2.839 20 0 DFADMP Cc1nn(-c2ccccc2C)c(C)c1C[N@@H+](C)C[C@H]1CC[NH2+]C1 ZINC000647882132 431715782 /nfs/dbraw/zinc/71/57/82/431715782.db2.gz MRJWJSMBUXESDN-KRWDZBQOSA-N 2 1 312.461 2.839 20 0 DFADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)C[C@@H]1CC[NH2+]C1 ZINC000647881525 431716088 /nfs/dbraw/zinc/71/60/88/431716088.db2.gz CPVOARKWRLROMI-CQSZACIVSA-N 2 1 316.424 2.690 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000647874904 431716496 /nfs/dbraw/zinc/71/64/96/431716496.db2.gz IJKFPWVZJLDNHP-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000647874904 431716498 /nfs/dbraw/zinc/71/64/98/431716498.db2.gz IJKFPWVZJLDNHP-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP C[NH2+]CCC[NH+]1CCC(c2c(OC)cc(OC)cc2OC)CC1 ZINC000647874669 431716721 /nfs/dbraw/zinc/71/67/21/431716721.db2.gz LPAJOIBAAORUFM-UHFFFAOYSA-N 2 1 322.449 2.501 20 0 DFADMP C(C[N@@H+]1CCCC[C@H]1c1noc(C2CC2)n1)C1CC[NH2+]CC1 ZINC000647882173 431717311 /nfs/dbraw/zinc/71/73/11/431717311.db2.gz RWLDALPHARELCX-HNNXBMFYSA-N 2 1 304.438 2.864 20 0 DFADMP C(C[N@H+]1CCCC[C@H]1c1noc(C2CC2)n1)C1CC[NH2+]CC1 ZINC000647882173 431717314 /nfs/dbraw/zinc/71/73/14/431717314.db2.gz RWLDALPHARELCX-HNNXBMFYSA-N 2 1 304.438 2.864 20 0 DFADMP Cc1c(Br)cncc1CN[C@@H]1C[C@@H](C)[N@H+](C2CC2)C1 ZINC000657390461 431721226 /nfs/dbraw/zinc/72/12/26/431721226.db2.gz YAISZLPMNXXDBG-ZWNOBZJWSA-N 2 1 324.266 2.867 20 0 DFADMP C[NH+]1CCC([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000657537520 431800318 /nfs/dbraw/zinc/80/03/18/431800318.db2.gz NRWDNCWLXSBMES-AWEZNQCLSA-N 2 1 307.869 2.850 20 0 DFADMP OC[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000657558154 431807427 /nfs/dbraw/zinc/80/74/27/431807427.db2.gz AOWILMFHZYPWLT-RBUKOAKNSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000657558154 431807431 /nfs/dbraw/zinc/80/74/31/431807431.db2.gz AOWILMFHZYPWLT-RBUKOAKNSA-N 2 1 314.473 2.934 20 0 DFADMP C[NH+](C)CCOc1ccc(CN[C@@H]2CC[N@@H+](C(C)(C)C)C2)cc1 ZINC000657562734 431811242 /nfs/dbraw/zinc/81/12/42/431811242.db2.gz ONJWTFGHZFXPCC-QGZVFWFLSA-N 2 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1ccc(CN[C@@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000657562734 431811245 /nfs/dbraw/zinc/81/12/45/431811245.db2.gz ONJWTFGHZFXPCC-QGZVFWFLSA-N 2 1 319.493 2.589 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657564706 431811369 /nfs/dbraw/zinc/81/13/69/431811369.db2.gz YSXBNGUYUPEAOO-MRXNPFEDSA-N 2 1 313.449 2.538 20 0 DFADMP FC(F)(F)c1csc([C@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647989678 431767500 /nfs/dbraw/zinc/76/75/00/431767500.db2.gz WECXKRGNKJOSPP-QWRGUYRKSA-N 2 1 319.396 2.951 20 0 DFADMP FC(F)(F)c1csc([C@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647989678 431767504 /nfs/dbraw/zinc/76/75/04/431767504.db2.gz WECXKRGNKJOSPP-QWRGUYRKSA-N 2 1 319.396 2.951 20 0 DFADMP CC1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000657593689 431821083 /nfs/dbraw/zinc/82/10/83/431821083.db2.gz BJFNZFFZURUGHN-XUJQIHCRSA-N 2 1 302.462 2.922 20 0 DFADMP Cc1ccsc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000657595294 431821107 /nfs/dbraw/zinc/82/11/07/431821107.db2.gz OJXSVEFQFREJNR-QGZVFWFLSA-N 2 1 316.470 2.913 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1CC1(C)C ZINC000657597278 431821521 /nfs/dbraw/zinc/82/15/21/431821521.db2.gz SADYJWQYYWLHCL-WBAXXEDZSA-N 2 1 302.462 2.777 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CS1 ZINC000657598014 431822167 /nfs/dbraw/zinc/82/21/67/431822167.db2.gz WYSAXGJHFAYVSS-JLSDUUJJSA-N 2 1 320.502 2.627 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648158441 431828010 /nfs/dbraw/zinc/82/80/10/431828010.db2.gz LHABRHKPMJGCAT-HZPDHXFCSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648158441 431828013 /nfs/dbraw/zinc/82/80/13/431828013.db2.gz LHABRHKPMJGCAT-HZPDHXFCSA-N 2 1 323.868 2.576 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657630938 431829255 /nfs/dbraw/zinc/82/92/55/431829255.db2.gz RUIWNDKOKBDIDU-LJQANCHMSA-N 2 1 314.473 2.995 20 0 DFADMP c1ccc([C@@H]2CO[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000657657135 431833792 /nfs/dbraw/zinc/83/37/92/431833792.db2.gz WBMDWUHOMFLKGH-VJANTYMQSA-N 2 1 300.446 2.776 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)C2 ZINC000282397554 281091950 /nfs/dbraw/zinc/09/19/50/281091950.db2.gz RLWPLWAPKIEHDT-LPHOPBHVSA-N 2 1 315.505 2.844 20 0 DFADMP CC[C@H]1CN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261892524 281169421 /nfs/dbraw/zinc/16/94/21/281169421.db2.gz UEJLUGIUWXMUPT-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](C[C@H](C)O)[C@@H](C)C1 ZINC000248399561 281308101 /nfs/dbraw/zinc/30/81/01/281308101.db2.gz VYZHWFRKYCBKCV-HOTGVXAUSA-N 2 1 313.445 2.743 20 0 DFADMP Cc1ccccc1C[NH+]1CCCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000367215706 281342250 /nfs/dbraw/zinc/34/22/50/281342250.db2.gz LQVZLFUINGCFHX-FQEVSTJZSA-N 2 1 315.505 2.987 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000367215706 281342251 /nfs/dbraw/zinc/34/22/51/281342251.db2.gz LQVZLFUINGCFHX-FQEVSTJZSA-N 2 1 315.505 2.987 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCN(CC[C@@H]2CCC[NH+]2C)CC1 ZINC000367215706 281342252 /nfs/dbraw/zinc/34/22/52/281342252.db2.gz LQVZLFUINGCFHX-FQEVSTJZSA-N 2 1 315.505 2.987 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](CCCSCC(C)C)CC1 ZINC000361517263 289068067 /nfs/dbraw/zinc/06/80/67/289068067.db2.gz BEFYGJBUYANHLU-UHFFFAOYSA-N 2 1 323.506 2.992 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000363335389 289078915 /nfs/dbraw/zinc/07/89/15/289078915.db2.gz PLIKQSNIZUPAQK-YOEHRIQHSA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000363335389 289078918 /nfs/dbraw/zinc/07/89/18/289078918.db2.gz PLIKQSNIZUPAQK-YOEHRIQHSA-N 2 1 323.506 2.587 20 0 DFADMP CC(C)[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000363335389 289078921 /nfs/dbraw/zinc/07/89/21/289078921.db2.gz PLIKQSNIZUPAQK-YOEHRIQHSA-N 2 1 323.506 2.587 20 0 DFADMP C[NH+](C)CC1(CNC(=O)[C@H](c2ccccc2)[NH+](C)C)CCCC1 ZINC000185077581 289093090 /nfs/dbraw/zinc/09/30/90/289093090.db2.gz PGBISYYBBXPNOQ-KRWDZBQOSA-N 2 1 317.477 2.528 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSC(C)(C)C ZINC000370172468 289332821 /nfs/dbraw/zinc/33/28/21/289332821.db2.gz KXJBGRZZISFUGP-QLFBSQMISA-N 2 1 300.512 2.702 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)C1([NH3+])CCCCC1)c1ccccc1Cl ZINC000262211375 289351853 /nfs/dbraw/zinc/35/18/53/289351853.db2.gz KZOJBDADMDPZTP-OAHLLOKOSA-N 2 1 323.868 2.721 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@H]2CCC[C@H]21 ZINC000353630070 290220965 /nfs/dbraw/zinc/22/09/65/290220965.db2.gz LTXXMOADTCSZPD-VUNQQRPYSA-N 2 1 320.502 2.998 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000436415771 297001755 /nfs/dbraw/zinc/00/17/55/297001755.db2.gz UIUHXZJGGMGGPF-ZDUSSCGKSA-N 2 1 322.758 2.515 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(Cl)cc(C(F)(F)F)c2)C1 ZINC000436415771 297001756 /nfs/dbraw/zinc/00/17/56/297001756.db2.gz UIUHXZJGGMGGPF-ZDUSSCGKSA-N 2 1 322.758 2.515 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000436442344 297003754 /nfs/dbraw/zinc/00/37/54/297003754.db2.gz BCCFGWDDHJGSLQ-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000494555362 299873514 /nfs/dbraw/zinc/87/35/14/299873514.db2.gz QFZFFWVRVGZIQY-KBPBESRZSA-N 2 1 313.486 2.752 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)C(=O)NCC1CCCC1 ZINC000155133634 295313435 /nfs/dbraw/zinc/31/34/35/295313435.db2.gz WUCQUKOJWHHNGL-UHFFFAOYSA-N 2 1 320.481 2.646 20 0 DFADMP CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000156754674 295340604 /nfs/dbraw/zinc/34/06/04/295340604.db2.gz QASRKOZOKKCXEU-QGZVFWFLSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000157927257 295355646 /nfs/dbraw/zinc/35/56/46/295355646.db2.gz GNMKTJXUXSEAOD-HNNXBMFYSA-N 2 1 317.468 2.818 20 0 DFADMP CC(C)CNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158877822 295368631 /nfs/dbraw/zinc/36/86/31/295368631.db2.gz MYLDKCLXTAYOGD-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)CC1 ZINC000393907085 295481339 /nfs/dbraw/zinc/48/13/39/295481339.db2.gz IMMACMFPCMXIAH-CQSZACIVSA-N 2 1 313.486 2.754 20 0 DFADMP c1csc(C[N@H+]2CCC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)c1 ZINC000438203279 297084407 /nfs/dbraw/zinc/08/44/07/297084407.db2.gz ROBSIRYFCBQFQB-CVEARBPZSA-N 2 1 308.491 2.976 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)c1 ZINC000438203279 297084408 /nfs/dbraw/zinc/08/44/08/297084408.db2.gz ROBSIRYFCBQFQB-CVEARBPZSA-N 2 1 308.491 2.976 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438565169 297098806 /nfs/dbraw/zinc/09/88/06/297098806.db2.gz BTJJCDXAAYPDOG-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565169 297098809 /nfs/dbraw/zinc/09/88/09/297098809.db2.gz BTJJCDXAAYPDOG-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438565169 297098812 /nfs/dbraw/zinc/09/88/12/297098812.db2.gz BTJJCDXAAYPDOG-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@H]1C[NH+](CC(C)C[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439486708 297128696 /nfs/dbraw/zinc/12/86/96/297128696.db2.gz MZOHQGJHPARPMA-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP C[N@H+]1CCN(CCNc2cc[nH+]c3cc(F)ccc23)CC1(C)C ZINC000440651870 297160681 /nfs/dbraw/zinc/16/06/81/297160681.db2.gz LMQMLYRIMXMLTB-UHFFFAOYSA-N 2 1 316.424 2.812 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150307 297173381 /nfs/dbraw/zinc/17/33/81/297173381.db2.gz CYANHOXCABDTSR-SJLPKXTDSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150307 297173384 /nfs/dbraw/zinc/17/33/84/297173384.db2.gz CYANHOXCABDTSR-SJLPKXTDSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)C[C@H]1C ZINC000441150307 297173385 /nfs/dbraw/zinc/17/33/85/297173385.db2.gz CYANHOXCABDTSR-SJLPKXTDSA-N 2 1 317.477 2.844 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccccc1 ZINC000441172508 297174319 /nfs/dbraw/zinc/17/43/19/297174319.db2.gz HEEOMGBHYUSBQM-QRQLOZEOSA-N 2 1 318.461 2.639 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@H](C)[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000442664200 297199626 /nfs/dbraw/zinc/19/96/26/297199626.db2.gz LSTWOYKMMMBGOR-NQLMQOPMSA-N 2 1 309.498 2.518 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442793803 297206124 /nfs/dbraw/zinc/20/61/24/297206124.db2.gz SCLBVIYEJIGOON-KKUMJFAQSA-N 2 1 303.450 2.806 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000442793803 297206125 /nfs/dbraw/zinc/20/61/25/297206125.db2.gz SCLBVIYEJIGOON-KKUMJFAQSA-N 2 1 303.450 2.806 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788786 297206326 /nfs/dbraw/zinc/20/63/26/297206326.db2.gz IZMODPCAWJAIDH-VXGBXAGGSA-N 2 1 320.824 2.602 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442787613 297206384 /nfs/dbraw/zinc/20/63/84/297206384.db2.gz HLBHTCMYXVAQGM-QLFBSQMISA-N 2 1 317.477 2.808 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442787613 297206386 /nfs/dbraw/zinc/20/63/86/297206386.db2.gz HLBHTCMYXVAQGM-QLFBSQMISA-N 2 1 317.477 2.808 20 0 DFADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443056535 297213593 /nfs/dbraw/zinc/21/35/93/297213593.db2.gz CWAFHYYLUJZBLR-GDBMZVCRSA-N 2 1 303.450 2.637 20 0 DFADMP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058438 297213831 /nfs/dbraw/zinc/21/38/31/297213831.db2.gz ADHLTNHNOOPUIS-LPHOPBHVSA-N 2 1 317.477 2.561 20 0 DFADMP CCN(CC)C(=O)[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058233 297213944 /nfs/dbraw/zinc/21/39/44/297213944.db2.gz MRMCBMOEUCSWDQ-FUHWJXTLSA-N 2 1 317.477 2.657 20 0 DFADMP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443060873 297214501 /nfs/dbraw/zinc/21/45/01/297214501.db2.gz PXYMRJRIKGUTJA-FUHWJXTLSA-N 2 1 317.477 2.705 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443068430 297214813 /nfs/dbraw/zinc/21/48/13/297214813.db2.gz ICOBGTUZEJCNLE-IRXDYDNUSA-N 2 1 317.477 2.541 20 0 DFADMP O=C1[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1C1CCCCC1 ZINC000443095472 297216056 /nfs/dbraw/zinc/21/60/56/297216056.db2.gz RBWBEZJTFGXLRU-CGTJXYLNSA-N 2 1 319.493 2.527 20 0 DFADMP O=C1[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1C1CCCCC1 ZINC000443095472 297216057 /nfs/dbraw/zinc/21/60/57/297216057.db2.gz RBWBEZJTFGXLRU-CGTJXYLNSA-N 2 1 319.493 2.527 20 0 DFADMP CC(C)c1cc(N(C)CC2([NH+](C)C)CCC2)nc(N(C)C)[nH+]1 ZINC000445662722 297264650 /nfs/dbraw/zinc/26/46/50/297264650.db2.gz UIQIYOQUELCTET-UHFFFAOYSA-N 2 1 305.470 2.587 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C[N@@H+]1C1CC1 ZINC000287142905 297285698 /nfs/dbraw/zinc/28/56/98/297285698.db2.gz SJGDONZJYHQZQP-QBIMZIAESA-N 2 1 305.441 2.643 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H](C[NH+](C)C)c2ccc(F)cc2)C[N@H+]1C1CC1 ZINC000287142905 297285700 /nfs/dbraw/zinc/28/57/00/297285700.db2.gz SJGDONZJYHQZQP-QBIMZIAESA-N 2 1 305.441 2.643 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3occc32)CC1 ZINC000447572439 297308943 /nfs/dbraw/zinc/30/89/43/297308943.db2.gz BWYHNSSQBRQXNZ-BRWVUGGUSA-N 2 1 304.434 2.624 20 0 DFADMP Cn1ccc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447603530 297310718 /nfs/dbraw/zinc/31/07/18/297310718.db2.gz YBGWVOTYQJIRKR-OWZKRDHZSA-N 2 1 324.472 2.748 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C2CC3(CCC3)C2)c1 ZINC000448055986 297330977 /nfs/dbraw/zinc/33/09/77/297330977.db2.gz KLZOZKSHWYZSCM-UHFFFAOYSA-N 2 1 300.446 2.941 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+]C3CC4(CCC4)C3)cc2)CC1 ZINC000448076304 297331499 /nfs/dbraw/zinc/33/14/99/297331499.db2.gz FTJNOVDCXXBSMU-UHFFFAOYSA-N 2 1 313.489 2.856 20 0 DFADMP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[NH+](CC)CC ZINC000448444910 297339667 /nfs/dbraw/zinc/33/96/67/297339667.db2.gz RJDDONNMLPKLTE-IRXDYDNUSA-N 2 1 311.514 2.591 20 0 DFADMP CC[C@H](C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+](CC)CC ZINC000448521100 297340656 /nfs/dbraw/zinc/34/06/56/297340656.db2.gz PVKWFECYARSMGL-CGTJXYLNSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1cccc(CC[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000449022917 297392525 /nfs/dbraw/zinc/39/25/25/297392525.db2.gz LRIVDNKLQKBILA-HXUWFJFHSA-N 2 1 315.505 2.639 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000453108059 298062153 /nfs/dbraw/zinc/06/21/53/298062153.db2.gz MRIXJHIODGXGKB-MRXNPFEDSA-N 2 1 320.477 2.812 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C(F)F ZINC000453123047 298064978 /nfs/dbraw/zinc/06/49/78/298064978.db2.gz FPVOWEALZRWCFT-VVLHAWIVSA-N 2 1 324.415 2.645 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CCN3CCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453174782 298068874 /nfs/dbraw/zinc/06/88/74/298068874.db2.gz PAGMJJVZKLPERZ-SLFFLAALSA-N 2 1 313.489 2.725 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346527 298085873 /nfs/dbraw/zinc/08/58/73/298085873.db2.gz IGRWUSVFGBPREX-JKIFEVAISA-N 2 1 316.424 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000453346527 298085875 /nfs/dbraw/zinc/08/58/75/298085875.db2.gz IGRWUSVFGBPREX-JKIFEVAISA-N 2 1 316.424 2.830 20 0 DFADMP Cc1cc(NC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C)cn2cc[nH+]c12 ZINC000455641206 298394575 /nfs/dbraw/zinc/39/45/75/298394575.db2.gz KDZFGKCBZAPNDN-ZDUSSCGKSA-N 2 1 317.437 2.741 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000497076293 300157380 /nfs/dbraw/zinc/15/73/80/300157380.db2.gz KXBKNXHKIUXUJJ-SOUVJXGZSA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000497076293 300157383 /nfs/dbraw/zinc/15/73/83/300157383.db2.gz KXBKNXHKIUXUJJ-SOUVJXGZSA-N 2 1 315.502 2.997 20 0 DFADMP CCC(C)(C)NC(=O)CN1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506486229 300230503 /nfs/dbraw/zinc/23/05/03/300230503.db2.gz KSNMVGXXZJEFMP-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP CCC(C)(C)NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506486231 300230668 /nfs/dbraw/zinc/23/06/68/300230668.db2.gz KSNMVGXXZJEFMP-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](C)CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000509771669 300243237 /nfs/dbraw/zinc/24/32/37/300243237.db2.gz GZKHKGGUMUTUPD-INIZCTEOSA-N 2 1 320.477 2.886 20 0 DFADMP COC(=O)[C@@H](C)C[NH+](C)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000509771669 300243239 /nfs/dbraw/zinc/24/32/39/300243239.db2.gz GZKHKGGUMUTUPD-INIZCTEOSA-N 2 1 320.477 2.886 20 0 DFADMP COC(=O)[C@@H](C)C[NH+](C)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000509771669 300243242 /nfs/dbraw/zinc/24/32/42/300243242.db2.gz GZKHKGGUMUTUPD-INIZCTEOSA-N 2 1 320.477 2.886 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000514596336 300261491 /nfs/dbraw/zinc/26/14/91/300261491.db2.gz OBFULUMFPHMTTB-BPLDGKMQSA-N 2 1 321.852 2.695 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000514612101 300262740 /nfs/dbraw/zinc/26/27/40/300262740.db2.gz JTVWEUKZQYHQEW-GDBMZVCRSA-N 2 1 311.429 2.980 20 0 DFADMP C[C@H]1[C@H]([NH2+]CCc2c[nH+]cn2C)CCCN1Cc1ccccc1 ZINC000514618980 300263492 /nfs/dbraw/zinc/26/34/92/300263492.db2.gz PCDHOGWSBPHTBD-QFBILLFUSA-N 2 1 312.461 2.605 20 0 DFADMP CCc1[nH+]c2ccccc2c(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c1C ZINC000515082144 300289616 /nfs/dbraw/zinc/28/96/16/300289616.db2.gz OUCHEIIRMFOUQT-ROUUACIJSA-N 2 1 311.429 2.625 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cnc(C2CCC2)s1)CC[NH+](C)C ZINC000515093014 300290025 /nfs/dbraw/zinc/29/00/25/300290025.db2.gz BLTPDAQNWKKHNX-UHFFFAOYSA-N 2 1 324.538 2.726 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000515643072 300316444 /nfs/dbraw/zinc/31/64/44/300316444.db2.gz YMOMGZGNONWBMG-FUHWJXTLSA-N 2 1 317.477 2.703 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CCc2cc(F)c(Cl)cc21)C[NH+]1CCCC1 ZINC000527845981 300700685 /nfs/dbraw/zinc/70/06/85/300700685.db2.gz BWHCUGRQOQXQPL-BLLLJJGKSA-N 2 1 312.816 2.513 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4cc(Cl)ccc4[C@@H]23)CC1 ZINC000527941238 300714930 /nfs/dbraw/zinc/71/49/30/300714930.db2.gz DUZFQSPSOOSEGI-RCCFBDPRSA-N 2 1 320.864 2.679 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000528413207 300785102 /nfs/dbraw/zinc/78/51/02/300785102.db2.gz HZPMNYFDYAKQCT-SFHVURJKSA-N 2 1 308.441 2.846 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000530176565 301025654 /nfs/dbraw/zinc/02/56/54/301025654.db2.gz CBLNAJXYHCKADV-NZSAHSFTSA-N 2 1 313.489 2.914 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH2+]CC2CC2)CC1 ZINC000530206613 301028875 /nfs/dbraw/zinc/02/88/75/301028875.db2.gz AVWCOPUBQFCLPY-LJQANCHMSA-N 2 1 320.452 2.847 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)c1OC ZINC000530216512 301030010 /nfs/dbraw/zinc/03/00/10/301030010.db2.gz QALGGDJLOSEMBM-CXAGYDPISA-N 2 1 318.461 2.817 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530217810 301030369 /nfs/dbraw/zinc/03/03/69/301030369.db2.gz BAPPRASBRMFQKQ-QYZOEREBSA-N 2 1 320.452 2.990 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000530217810 301030370 /nfs/dbraw/zinc/03/03/70/301030370.db2.gz BAPPRASBRMFQKQ-QYZOEREBSA-N 2 1 320.452 2.990 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530217801 301030571 /nfs/dbraw/zinc/03/05/71/301030571.db2.gz BAPPRASBRMFQKQ-CEXWTWQISA-N 2 1 320.452 2.990 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000530217801 301030574 /nfs/dbraw/zinc/03/05/74/301030574.db2.gz BAPPRASBRMFQKQ-CEXWTWQISA-N 2 1 320.452 2.990 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@H]1CC[NH2+]C1 ZINC000530219501 301030826 /nfs/dbraw/zinc/03/08/26/301030826.db2.gz JIOQTQLQAACWLK-BDAKNGLRSA-N 2 1 319.193 2.815 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219376 301030923 /nfs/dbraw/zinc/03/09/23/301030923.db2.gz PIOOZUQXSSYEGT-RDTXWAMCSA-N 2 1 308.429 2.621 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000530220088 301031091 /nfs/dbraw/zinc/03/10/91/301031091.db2.gz IMJGQZQFPZWNIP-YQVWRLOYSA-N 2 1 320.452 2.705 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000530463632 301049769 /nfs/dbraw/zinc/04/97/69/301049769.db2.gz PFSYZKKSFSYGET-SJLPKXTDSA-N 2 1 324.509 2.503 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000531681430 301103688 /nfs/dbraw/zinc/10/36/88/301103688.db2.gz XDRQBSVLPQYTNX-SJORKVTESA-N 2 1 311.514 2.735 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000531721025 301106229 /nfs/dbraw/zinc/10/62/29/301106229.db2.gz QCSOCXGVPYKZNF-OALUTQOASA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000531721025 301106231 /nfs/dbraw/zinc/10/62/31/301106231.db2.gz QCSOCXGVPYKZNF-OALUTQOASA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000531932066 301119102 /nfs/dbraw/zinc/11/91/02/301119102.db2.gz IZESCRGJKZKBDY-CABCVRRESA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)c1ccoc1 ZINC000531931964 301119273 /nfs/dbraw/zinc/11/92/73/301119273.db2.gz ZSTBWOMVBPKODI-HOCLYGCPSA-N 2 1 319.474 2.980 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000531940375 301119872 /nfs/dbraw/zinc/11/98/72/301119872.db2.gz USLIVLMAXLFWGD-UONOGXRCSA-N 2 1 313.445 2.706 20 0 DFADMP C[N@H+](CCCn1c2ccccc2[nH]c1=O)CCC[NH+]1CCCC1 ZINC000531957231 301120895 /nfs/dbraw/zinc/12/08/95/301120895.db2.gz KMNATMHAHAETOE-UHFFFAOYSA-N 2 1 316.449 2.550 20 0 DFADMP C[N@@H+](CCCn1c2ccccc2[nH]c1=O)CCC[NH+]1CCCC1 ZINC000531957231 301120897 /nfs/dbraw/zinc/12/08/97/301120897.db2.gz KMNATMHAHAETOE-UHFFFAOYSA-N 2 1 316.449 2.550 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000532459767 301154320 /nfs/dbraw/zinc/15/43/20/301154320.db2.gz HCKGRXBJQOIMKF-IAGOWNOFSA-N 2 1 311.514 2.878 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000532494275 301156203 /nfs/dbraw/zinc/15/62/03/301156203.db2.gz NYXAWWUUAFXWBE-LBPRGKRZSA-N 2 1 312.417 2.772 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000532531761 301158709 /nfs/dbraw/zinc/15/87/09/301158709.db2.gz CLZAYBRWLHNTJU-ZHALLVOQSA-N 2 1 307.526 2.961 20 0 DFADMP CC[N@@H+](CC(=O)NCC1([NH+]2CCCCC2)CCCCC1)C1CC1 ZINC000533548728 301206486 /nfs/dbraw/zinc/20/64/86/301206486.db2.gz XUWXLQVSNIWFPN-UHFFFAOYSA-N 2 1 321.509 2.776 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000533581923 301209037 /nfs/dbraw/zinc/20/90/37/301209037.db2.gz DDSRGDPTDCLSGA-APWZRJJASA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000533581923 301209038 /nfs/dbraw/zinc/20/90/38/301209038.db2.gz DDSRGDPTDCLSGA-APWZRJJASA-N 2 1 310.445 2.692 20 0 DFADMP C[C@@H](c1nc2ccccc2c(=O)[nH]1)[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000533864776 301214723 /nfs/dbraw/zinc/21/47/23/301214723.db2.gz BJOUPROVMXZCER-STQMWFEESA-N 2 1 323.400 2.619 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cscn1 ZINC000535779958 301260494 /nfs/dbraw/zinc/26/04/94/301260494.db2.gz JMRFGZPMBKSCKM-CYBMUJFWSA-N 2 1 305.447 2.934 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000537607188 301305657 /nfs/dbraw/zinc/30/56/57/301305657.db2.gz SBTPGXKQEBACME-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC(=O)NC(C)(C)C)CC1)CC1CC1 ZINC000538951418 301335434 /nfs/dbraw/zinc/33/54/34/301335434.db2.gz WSJLRKFPCQICHN-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP CC[C@@H](C)NC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000538950515 301335574 /nfs/dbraw/zinc/33/55/74/301335574.db2.gz UWRQBPNOJQLBAB-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP COC(=O)CC1([NH2+]CCCCn2cc[nH+]c2C)CCCCC1 ZINC000551985570 301673532 /nfs/dbraw/zinc/67/35/32/301673532.db2.gz QZIKNBDOPWVLJV-UHFFFAOYSA-N 2 1 307.438 2.827 20 0 DFADMP C[C@H](CCc1ccccc1)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000562902556 302011611 /nfs/dbraw/zinc/01/16/11/302011611.db2.gz YLYXIDKBBUFSGP-LJQANCHMSA-N 2 1 317.521 2.825 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000563351411 302064849 /nfs/dbraw/zinc/06/48/49/302064849.db2.gz YZQYRBPCIIFDJV-WBVHZDCISA-N 2 1 311.429 2.972 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000563365572 302067144 /nfs/dbraw/zinc/06/71/44/302067144.db2.gz UVXZBPCQEAMRQT-IBGZPJMESA-N 2 1 311.429 2.822 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@]2(C1)CCc1ccccc1O2 ZINC000563365572 302067147 /nfs/dbraw/zinc/06/71/47/302067147.db2.gz UVXZBPCQEAMRQT-IBGZPJMESA-N 2 1 311.429 2.822 20 0 DFADMP O[C@H](C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528791 302079976 /nfs/dbraw/zinc/07/99/76/302079976.db2.gz GOZHUDNBCLYIEU-UTKZUKDTSA-N 2 1 324.468 2.817 20 0 DFADMP C[NH+](C)C1(CNC(=O)CC[C@H]2CCCC[N@H+]2C)CCCCC1 ZINC000563740176 302096218 /nfs/dbraw/zinc/09/62/18/302096218.db2.gz TYSIOHUENHKNLC-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000564096551 302118594 /nfs/dbraw/zinc/11/85/94/302118594.db2.gz MLHWKDJVQKZMIK-IBGZPJMESA-N 2 1 313.445 2.626 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccccc1)[C@@H](CO)C1CC1 ZINC000564096551 302118596 /nfs/dbraw/zinc/11/85/96/302118596.db2.gz MLHWKDJVQKZMIK-IBGZPJMESA-N 2 1 313.445 2.626 20 0 DFADMP Cn1cncc1CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000564344410 302130418 /nfs/dbraw/zinc/13/04/18/302130418.db2.gz QLBLFAKGMASGHN-UHFFFAOYSA-N 2 1 309.417 2.670 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1cnn(-c2ccccc2)c1 ZINC000564344410 302130420 /nfs/dbraw/zinc/13/04/20/302130420.db2.gz QLBLFAKGMASGHN-UHFFFAOYSA-N 2 1 309.417 2.670 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000564587041 302143523 /nfs/dbraw/zinc/14/35/23/302143523.db2.gz VZVHDZCYVUVQKK-KCXAZCMYSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000564587041 302143526 /nfs/dbraw/zinc/14/35/26/302143526.db2.gz VZVHDZCYVUVQKK-KCXAZCMYSA-N 2 1 323.868 2.542 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(C)=O)no2)CC1 ZINC000564772897 302156964 /nfs/dbraw/zinc/15/69/64/302156964.db2.gz WAJZLYXXEGTQIA-UHFFFAOYSA-N 2 1 307.438 2.821 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(C)=O)no2)CC1 ZINC000564772897 302156967 /nfs/dbraw/zinc/15/69/67/302156967.db2.gz WAJZLYXXEGTQIA-UHFFFAOYSA-N 2 1 307.438 2.821 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Br)cn1 ZINC000565161381 302199051 /nfs/dbraw/zinc/19/90/51/302199051.db2.gz GUDJOFBYHQQVKI-LLVKDONJSA-N 2 1 323.238 2.861 20 0 DFADMP Cc1ccc2[nH]c(C[NH2+]C3(CCO)CC[NH+](C)CC3)cc2c1C ZINC000565216889 302208444 /nfs/dbraw/zinc/20/84/44/302208444.db2.gz GHDVKOLHWAGYHQ-UHFFFAOYSA-N 2 1 315.461 2.721 20 0 DFADMP C[C@@H]([NH2+]Cc1cccc(NC(=O)c2ccccc2)c1)C1C[NH2+]C1 ZINC000566090974 302258454 /nfs/dbraw/zinc/25/84/54/302258454.db2.gz RXXOLGDJGRZYFZ-CQSZACIVSA-N 2 1 309.413 2.636 20 0 DFADMP C[C@H](NC[C@H](c1ccc(Cl)cc1)[NH+](C)C)[C@H]1CCC[NH2+]C1 ZINC000566089476 302258581 /nfs/dbraw/zinc/25/85/81/302258581.db2.gz BBSLXHBMROAYCR-JLJPHGGASA-N 2 1 309.885 2.920 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)Nc1ccc(Cl)cc1 ZINC000566106533 302260309 /nfs/dbraw/zinc/26/03/09/302260309.db2.gz SZJWLUKZRRHUSZ-HOTGVXAUSA-N 2 1 321.852 2.885 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)Nc1ccc(Cl)cc1 ZINC000566106533 302260311 /nfs/dbraw/zinc/26/03/11/302260311.db2.gz SZJWLUKZRRHUSZ-HOTGVXAUSA-N 2 1 321.852 2.885 20 0 DFADMP CC[C@H](O)C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000566114867 302260982 /nfs/dbraw/zinc/26/09/82/302260982.db2.gz FZXPVKJFTMGMQF-KRWDZBQOSA-N 2 1 302.418 2.772 20 0 DFADMP C[C@@H](CNC(=O)CC[C@@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000566289376 302275001 /nfs/dbraw/zinc/27/50/01/302275001.db2.gz STEWYZFSSRWLLT-SOLBZPMBSA-N 2 1 317.477 2.846 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)C[C@H](C)[NH3+])cc1 ZINC000566294963 302276039 /nfs/dbraw/zinc/27/60/39/302276039.db2.gz HMFUQVDHESECDK-LSDHHAIUSA-N 2 1 305.466 2.774 20 0 DFADMP O[C@H]1CCCC[C@@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306613 302277725 /nfs/dbraw/zinc/27/77/25/302277725.db2.gz UFSXUGWQGYCMEP-ZRNYENFQSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@H]1CCCC[C@@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306613 302277728 /nfs/dbraw/zinc/27/77/28/302277728.db2.gz UFSXUGWQGYCMEP-ZRNYENFQSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@H]1CCCC[C@@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306613 302277731 /nfs/dbraw/zinc/27/77/31/302277731.db2.gz UFSXUGWQGYCMEP-ZRNYENFQSA-N 2 1 314.473 2.601 20 0 DFADMP Cn1ccnc1[C@@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000567120377 302337680 /nfs/dbraw/zinc/33/76/80/302337680.db2.gz CSUGSEUCCYDZKN-GFCCVEGCSA-N 2 1 319.792 2.792 20 0 DFADMP Cn1ccnc1[C@@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000567120377 302337682 /nfs/dbraw/zinc/33/76/82/302337682.db2.gz CSUGSEUCCYDZKN-GFCCVEGCSA-N 2 1 319.792 2.792 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C1 ZINC000567249892 302345579 /nfs/dbraw/zinc/34/55/79/302345579.db2.gz XSLLWFRVTJUBNE-HZPDHXFCSA-N 2 1 311.539 2.598 20 0 DFADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000567375371 302354773 /nfs/dbraw/zinc/35/47/73/302354773.db2.gz XPNLWRIQXIJGNG-IZGVIRRGSA-N 2 1 314.351 2.611 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000567408145 302356863 /nfs/dbraw/zinc/35/68/63/302356863.db2.gz YAXHXPNURFOUIT-SFHVURJKSA-N 2 1 303.494 2.623 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[C@H]3[NH3+])c2)C[C@H](C)O1 ZINC000567645854 302376042 /nfs/dbraw/zinc/37/60/42/302376042.db2.gz FDFWJQBCCKNUSO-LTCOOKNTSA-N 2 1 303.450 2.588 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000567642519 302376178 /nfs/dbraw/zinc/37/61/78/302376178.db2.gz OHGBHOHOUDIXHW-XOKHGSTOSA-N 2 1 309.885 2.920 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CC[C@@H]2C2CC2)c2cccs2)CC1 ZINC000568548086 302458988 /nfs/dbraw/zinc/45/89/88/302458988.db2.gz VMEMGKXFVGZPRQ-IXDOHACOSA-N 2 1 319.518 2.815 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569684630 302532578 /nfs/dbraw/zinc/53/25/78/302532578.db2.gz QPEXWIPGUJZWTN-CHWSQXEVSA-N 2 1 317.355 2.772 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000570320879 302567823 /nfs/dbraw/zinc/56/78/23/302567823.db2.gz IDSNXVJJKVGPHP-RBUKOAKNSA-N 2 1 322.456 2.614 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOC(C)(C)C)[C@H](C)C1 ZINC000180340019 316031230 /nfs/dbraw/zinc/03/12/30/316031230.db2.gz UQNNPUMKFLZIGY-HZPDHXFCSA-N 2 1 300.487 2.528 20 0 DFADMP C[C@H](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000182245380 316091613 /nfs/dbraw/zinc/09/16/13/316091613.db2.gz IHLMEHLPINYEDN-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H](CCNc1cc[nH+]cc1C(N)=O)[N@@H+](C)Cc1ccccc1 ZINC000184129050 316159716 /nfs/dbraw/zinc/15/97/16/316159716.db2.gz UDQYKPGTKKNEII-CQSZACIVSA-N 2 1 312.417 2.503 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659834 316189235 /nfs/dbraw/zinc/18/92/35/316189235.db2.gz KNVDPOJZSTYWQZ-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659834 316189239 /nfs/dbraw/zinc/18/92/39/316189239.db2.gz KNVDPOJZSTYWQZ-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1)C(=O)NC1CCCC1 ZINC000185690693 316190004 /nfs/dbraw/zinc/19/00/04/316190004.db2.gz FKGQNGLYDMEGMS-JYJNAYRXSA-N 2 1 321.509 2.676 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(=O)NC1CCCC1 ZINC000185690693 316190007 /nfs/dbraw/zinc/19/00/07/316190007.db2.gz FKGQNGLYDMEGMS-JYJNAYRXSA-N 2 1 321.509 2.676 20 0 DFADMP C[C@@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692497 316190055 /nfs/dbraw/zinc/19/00/55/316190055.db2.gz IOPNFCXSSKFLMO-CHWSQXEVSA-N 2 1 308.388 2.808 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185690711 316190105 /nfs/dbraw/zinc/19/01/05/316190105.db2.gz FKGQNGLYDMEGMS-PMPSAXMXSA-N 2 1 321.509 2.676 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC1CCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185690711 316190110 /nfs/dbraw/zinc/19/01/10/316190110.db2.gz FKGQNGLYDMEGMS-PMPSAXMXSA-N 2 1 321.509 2.676 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185663547 316190193 /nfs/dbraw/zinc/19/01/93/316190193.db2.gz GUTCNMODIBTXFU-QLFBSQMISA-N 2 1 309.498 2.532 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)NC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185663547 316190197 /nfs/dbraw/zinc/19/01/97/316190197.db2.gz GUTCNMODIBTXFU-QLFBSQMISA-N 2 1 309.498 2.532 20 0 DFADMP CCOC(=O)CCCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185709986 316190954 /nfs/dbraw/zinc/19/09/54/316190954.db2.gz SMIHGHZGYSKGHJ-HZPDHXFCSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc2c(c1)OCCO2 ZINC000337610666 316301961 /nfs/dbraw/zinc/30/19/61/316301961.db2.gz YFLKVYJXVLNBTK-IMJJTQAJSA-N 2 1 302.418 2.735 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000337608530 316302117 /nfs/dbraw/zinc/30/21/17/316302117.db2.gz WOKQWIWDFMMSKY-VHSSKADRSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000337608530 316302119 /nfs/dbraw/zinc/30/21/19/316302119.db2.gz WOKQWIWDFMMSKY-VHSSKADRSA-N 2 1 301.434 2.922 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000449672104 317051393 /nfs/dbraw/zinc/05/13/93/317051393.db2.gz LQKIZONVUXECGM-UHFFFAOYSA-N 2 1 301.415 2.665 20 0 DFADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000453062811 317157680 /nfs/dbraw/zinc/15/76/80/317157680.db2.gz QQPSYQFXWYFQFN-IRXDYDNUSA-N 2 1 312.498 2.672 20 0 DFADMP CSCC1CCC([NH2+]CCCN2CCC[N@@H+](C)CC2)CC1 ZINC000453095004 317161074 /nfs/dbraw/zinc/16/10/74/317161074.db2.gz GTOYCYBVKNRLFP-UHFFFAOYSA-N 2 1 313.555 2.525 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000453394838 317183053 /nfs/dbraw/zinc/18/30/53/317183053.db2.gz HJGVBZYSJOJSLH-HKUYNNGSSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CCCC[N@@H+](C)C3CC3)c(C)n2n1 ZINC000453405852 317183868 /nfs/dbraw/zinc/18/38/68/317183868.db2.gz QOLJSLSMHIHHHG-CQSZACIVSA-N 2 1 315.465 2.871 20 0 DFADMP Cn1c[nH+]cc1CCN1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000459505549 317327246 /nfs/dbraw/zinc/32/72/46/317327246.db2.gz HGKHRYOALBSIOG-UHFFFAOYSA-N 2 1 306.498 2.795 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000487510006 317346794 /nfs/dbraw/zinc/34/67/94/317346794.db2.gz ZRACMTCTPXFUNR-KRWDZBQOSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CC1(C)C ZINC000487556794 317347285 /nfs/dbraw/zinc/34/72/85/317347285.db2.gz IPPSDIFOWBKYGJ-JCGIZDLHSA-N 2 1 302.462 2.777 20 0 DFADMP COCCSCCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000488278031 317380460 /nfs/dbraw/zinc/38/04/60/317380460.db2.gz IFHHJTYYPIMKAN-CVEARBPZSA-N 2 1 314.539 2.999 20 0 DFADMP CC(C)C1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000488406494 317389975 /nfs/dbraw/zinc/38/99/75/317389975.db2.gz CNYFPNRKYPJRAZ-NBDWZHNGSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)C1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000488406494 317389979 /nfs/dbraw/zinc/38/99/79/317389979.db2.gz CNYFPNRKYPJRAZ-NBDWZHNGSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cnn(Cc2ccccc2)c1 ZINC000518360214 317710912 /nfs/dbraw/zinc/71/09/12/317710912.db2.gz UMLHXZYCWKXLQC-MRXNPFEDSA-N 2 1 300.450 2.970 20 0 DFADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000574631328 318029413 /nfs/dbraw/zinc/02/94/13/318029413.db2.gz FKMVZFSPFYRPEJ-NVXWUHKLSA-N 2 1 310.869 2.706 20 0 DFADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000574631328 318029416 /nfs/dbraw/zinc/02/94/16/318029416.db2.gz FKMVZFSPFYRPEJ-NVXWUHKLSA-N 2 1 310.869 2.706 20 0 DFADMP Cc1nn(-c2ccncc2)cc1CNCC1([NH3+])CCCCCC1 ZINC000574904473 318049498 /nfs/dbraw/zinc/04/94/98/318049498.db2.gz CUUVQUOGENPYLD-UHFFFAOYSA-N 3 1 313.449 2.717 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000574983293 318054740 /nfs/dbraw/zinc/05/47/40/318054740.db2.gz BHTSRKSUYITJTI-HNNXBMFYSA-N 2 1 321.440 2.927 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000574983293 318054741 /nfs/dbraw/zinc/05/47/41/318054741.db2.gz BHTSRKSUYITJTI-HNNXBMFYSA-N 2 1 321.440 2.927 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000575999371 318097789 /nfs/dbraw/zinc/09/77/89/318097789.db2.gz GBTZOJHCQNOOED-GOSISDBHSA-N 2 1 313.445 2.891 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](COCc2ccccc2)C1 ZINC000575999371 318097790 /nfs/dbraw/zinc/09/77/90/318097790.db2.gz GBTZOJHCQNOOED-GOSISDBHSA-N 2 1 313.445 2.891 20 0 DFADMP C[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000576027008 318099349 /nfs/dbraw/zinc/09/93/49/318099349.db2.gz IJHHDAOMEUTKRA-CORIIIEPSA-N 2 1 316.367 2.717 20 0 DFADMP [NH3+]C[C@H]1c2ccccc2CCN1c1cc[nH+]c(N2CCCCC2)n1 ZINC000576108317 318104288 /nfs/dbraw/zinc/10/42/88/318104288.db2.gz WSGBAQKIAGDQJE-KRWDZBQOSA-N 2 1 323.444 2.529 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000577109597 318172063 /nfs/dbraw/zinc/17/20/63/318172063.db2.gz JPDMCNUDJBOGBT-QGZVFWFLSA-N 2 1 300.406 2.554 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)o1 ZINC000577109597 318172066 /nfs/dbraw/zinc/17/20/66/318172066.db2.gz JPDMCNUDJBOGBT-QGZVFWFLSA-N 2 1 300.406 2.554 20 0 DFADMP C[N@@H+](CCC(=O)NCCC[NH+]1CCCCC1)C1CCCCC1 ZINC000577340621 318185573 /nfs/dbraw/zinc/18/55/73/318185573.db2.gz FUAFPVKJIYMJLK-UHFFFAOYSA-N 2 1 309.498 2.633 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577710645 318211520 /nfs/dbraw/zinc/21/15/20/318211520.db2.gz CASVZCXQBUNBBY-KBPBESRZSA-N 2 1 316.449 2.532 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000578663683 318276922 /nfs/dbraw/zinc/27/69/22/318276922.db2.gz JHRHFVJVGHDDMN-SMDDNHRTSA-N 2 1 320.824 2.744 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccc(Br)cn1)[C@@H]1CCC[NH2+]C1 ZINC000578738456 318281554 /nfs/dbraw/zinc/28/15/54/318281554.db2.gz YJSFWIBJRGWDFG-GRYCIOLGSA-N 2 1 312.255 2.883 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@H](O)CC(F)(F)F)C1 ZINC000579463408 318331613 /nfs/dbraw/zinc/33/16/13/318331613.db2.gz ROFZKJKIRRLSCK-HZSPNIEDSA-N 2 1 310.404 2.647 20 0 DFADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579709700 318349146 /nfs/dbraw/zinc/34/91/46/318349146.db2.gz BEOKFHYGPSQFKW-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579709700 318349149 /nfs/dbraw/zinc/34/91/49/318349149.db2.gz BEOKFHYGPSQFKW-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000579736997 318351752 /nfs/dbraw/zinc/35/17/52/318351752.db2.gz VZLWPKUABULMCG-MRXNPFEDSA-N 2 1 312.461 2.827 20 0 DFADMP COc1cc(C[N@H+](C)CCCc2c[nH+]cn2C)cc(OC)c1 ZINC000580089563 318375136 /nfs/dbraw/zinc/37/51/36/318375136.db2.gz MCLHZWSNUPBGRA-UHFFFAOYSA-N 2 1 303.406 2.502 20 0 DFADMP COc1cc(C[N@@H+](C)CCCc2c[nH+]cn2C)cc(OC)c1 ZINC000580089563 318375137 /nfs/dbraw/zinc/37/51/37/318375137.db2.gz MCLHZWSNUPBGRA-UHFFFAOYSA-N 2 1 303.406 2.502 20 0 DFADMP C[N@@H+](CCOc1ccc(F)cc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580200677 318382992 /nfs/dbraw/zinc/38/29/92/318382992.db2.gz CZXQAJZYCYKFGF-UHFFFAOYSA-N 2 1 314.404 2.982 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000580267210 318386174 /nfs/dbraw/zinc/38/61/74/318386174.db2.gz JOMZQQDBWWAUQC-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP C[N@H+](C/C=C/c1ccc(Cl)cc1)CCCN1CC[NH+](C)CC1 ZINC000189781753 323225896 /nfs/dbraw/zinc/22/58/96/323225896.db2.gz ZFQBCEKOYKDKRT-HWKANZROSA-N 2 1 321.896 2.923 20 0 DFADMP CC[NH+](CC)CCCN1CC[NH+](Cc2ccccc2OC)CC1 ZINC000191782266 323238814 /nfs/dbraw/zinc/23/88/14/323238814.db2.gz IXAKLDLIJAILBQ-UHFFFAOYSA-N 2 1 319.493 2.545 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000382744598 323302150 /nfs/dbraw/zinc/30/21/50/323302150.db2.gz REOBLROIOFHMAJ-AOIWGVFYSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000382744601 323302501 /nfs/dbraw/zinc/30/25/01/323302501.db2.gz REOBLROIOFHMAJ-ZHALLVOQSA-N 2 1 301.478 2.581 20 0 DFADMP Brc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000386589824 323319679 /nfs/dbraw/zinc/31/96/79/323319679.db2.gz CZHMFRZWPNNVKH-OKILXGFUSA-N 2 1 309.251 2.881 20 0 DFADMP CC(C)[C@H](C[NH2+]C1CCC(O)(C(F)(F)F)CC1)[NH+]1CCCC1 ZINC000396364170 323353217 /nfs/dbraw/zinc/35/32/17/323353217.db2.gz NMJLTADHEDWERJ-SLTAFYQDSA-N 2 1 322.415 2.932 20 0 DFADMP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345496 323373611 /nfs/dbraw/zinc/37/36/11/323373611.db2.gz KMAOGIQZMPUPEP-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@@H](C)N(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345496 323373613 /nfs/dbraw/zinc/37/36/13/323373613.db2.gz KMAOGIQZMPUPEP-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@@H](C)N(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345496 323373614 /nfs/dbraw/zinc/37/36/14/323373614.db2.gz KMAOGIQZMPUPEP-BBWFWOEESA-N 2 1 321.509 2.582 20 0 DFADMP c1c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)sc2c1CCCC2 ZINC000580432094 323384559 /nfs/dbraw/zinc/38/45/59/323384559.db2.gz VVZPGBNVFWWYKO-ZACQAIPSSA-N 2 1 320.502 2.874 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000580445705 323386908 /nfs/dbraw/zinc/38/69/08/323386908.db2.gz ZHLSGADPRLBOML-HNNXBMFYSA-N 2 1 321.465 2.797 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000580445705 323386913 /nfs/dbraw/zinc/38/69/13/323386913.db2.gz ZHLSGADPRLBOML-HNNXBMFYSA-N 2 1 321.465 2.797 20 0 DFADMP CSc1cc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)ccn1 ZINC000425896575 500637526 /nfs/dbraw/zinc/63/75/26/500637526.db2.gz PPZRPQISEWVYLQ-UHFFFAOYSA-N 2 1 318.446 2.548 20 0 DFADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cn1 ZINC000367603351 519779908 /nfs/dbraw/zinc/77/99/08/519779908.db2.gz ZEYXIWGAJYRQAC-BRWVUGGUSA-N 2 1 303.450 2.831 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000154547076 521067382 /nfs/dbraw/zinc/06/73/82/521067382.db2.gz SYAWWQIGIKCNJA-GOEBONIOSA-N 2 1 323.506 2.594 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292847154 534547177 /nfs/dbraw/zinc/54/71/77/534547177.db2.gz SXDYWDJVSHYWGO-IBGZPJMESA-N 2 1 310.445 2.913 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292847154 534547183 /nfs/dbraw/zinc/54/71/83/534547183.db2.gz SXDYWDJVSHYWGO-IBGZPJMESA-N 2 1 310.445 2.913 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292847154 534547190 /nfs/dbraw/zinc/54/71/90/534547190.db2.gz SXDYWDJVSHYWGO-IBGZPJMESA-N 2 1 310.445 2.913 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292847154 534547196 /nfs/dbraw/zinc/54/71/96/534547196.db2.gz SXDYWDJVSHYWGO-IBGZPJMESA-N 2 1 310.445 2.913 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2csc(C)n2)CC1 ZINC000361093809 521679855 /nfs/dbraw/zinc/67/98/55/521679855.db2.gz COWBHRGPONUMPI-CQSZACIVSA-N 2 1 310.511 2.520 20 0 DFADMP CCn1cc([C@H](C)[NH2+]C2CCN(c3ccc(C)c[nH+]3)CC2)cn1 ZINC000163503609 523469001 /nfs/dbraw/zinc/46/90/01/523469001.db2.gz SWOVQUWGOZMCNF-HNNXBMFYSA-N 2 1 313.449 2.926 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000364113680 523748477 /nfs/dbraw/zinc/74/84/77/523748477.db2.gz XDBWFDCSYUUDAX-UHFFFAOYSA-N 2 1 300.446 2.668 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848545 523813148 /nfs/dbraw/zinc/81/31/48/523813148.db2.gz ALWZTTYUDIOLHL-ZFWWWQNUSA-N 2 1 323.868 2.576 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)CCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848647 523840243 /nfs/dbraw/zinc/84/02/43/523840243.db2.gz BOKSBQBMNJQLNC-PBHICJAKSA-N 2 1 323.868 2.578 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000364886321 524635088 /nfs/dbraw/zinc/63/50/88/524635088.db2.gz SBPYWTATLCJNCB-BBRMVZONSA-N 2 1 322.416 2.675 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1Nc1[nH+]cnc2[nH]ccc21 ZINC000364886321 524635109 /nfs/dbraw/zinc/63/51/09/524635109.db2.gz SBPYWTATLCJNCB-BBRMVZONSA-N 2 1 322.416 2.675 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000364852654 524914616 /nfs/dbraw/zinc/91/46/16/524914616.db2.gz ICRFNZGTFWRSIX-YFHUEUNASA-N 2 1 301.478 2.613 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](CN[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249158108 526469269 /nfs/dbraw/zinc/46/92/69/526469269.db2.gz XSQFSWRZQWDWOY-AABGKKOBSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000249158108 526469276 /nfs/dbraw/zinc/46/92/76/526469276.db2.gz XSQFSWRZQWDWOY-AABGKKOBSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000249158108 526469280 /nfs/dbraw/zinc/46/92/80/526469280.db2.gz XSQFSWRZQWDWOY-AABGKKOBSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249158108 526469285 /nfs/dbraw/zinc/46/92/85/526469285.db2.gz XSQFSWRZQWDWOY-AABGKKOBSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249158108 526469291 /nfs/dbraw/zinc/46/92/91/526469291.db2.gz XSQFSWRZQWDWOY-AABGKKOBSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000249158108 526469295 /nfs/dbraw/zinc/46/92/95/526469295.db2.gz XSQFSWRZQWDWOY-AABGKKOBSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000249158108 526469299 /nfs/dbraw/zinc/46/92/99/526469299.db2.gz XSQFSWRZQWDWOY-AABGKKOBSA-N 3 1 313.489 2.725 20 0 DFADMP CC(C)(CO)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000294802334 527203958 /nfs/dbraw/zinc/20/39/58/527203958.db2.gz MZMUMQVYZBCQBQ-GBESFXJTSA-N 2 1 316.489 2.895 20 0 DFADMP O[C@@H]1c2ccccc2C[C@H]1[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000367595797 527680128 /nfs/dbraw/zinc/68/01/28/527680128.db2.gz YHZIAJKSOROCHB-RTBURBONSA-N 2 1 300.446 2.641 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000292396140 527849801 /nfs/dbraw/zinc/84/98/01/527849801.db2.gz IWWKPWNVACNUPL-QGZVFWFLSA-N 2 1 301.478 2.713 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCN2CCc3ccccc32)C1 ZINC000292396140 527849803 /nfs/dbraw/zinc/84/98/03/527849803.db2.gz IWWKPWNVACNUPL-QGZVFWFLSA-N 2 1 301.478 2.713 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCN2CCc3ccccc32)C1 ZINC000292396140 527849808 /nfs/dbraw/zinc/84/98/08/527849808.db2.gz IWWKPWNVACNUPL-QGZVFWFLSA-N 2 1 301.478 2.713 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](C[C@@H](Cc2ccccc2)OC)C1 ZINC000295087458 528185031 /nfs/dbraw/zinc/18/50/31/528185031.db2.gz RTWQOPSIRVKHCF-RTBURBONSA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000294997698 528557685 /nfs/dbraw/zinc/55/76/85/528557685.db2.gz IBLCWWLJNOXMLC-JZXOWHBKSA-N 2 1 317.477 2.544 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC000361936071 534918272 /nfs/dbraw/zinc/91/82/72/534918272.db2.gz DVYCQZBUYDOXCH-CABCVRRESA-N 2 1 320.481 2.774 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)NC(C)(C)C ZINC000361936071 534918282 /nfs/dbraw/zinc/91/82/82/534918282.db2.gz DVYCQZBUYDOXCH-CABCVRRESA-N 2 1 320.481 2.774 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cnc21 ZINC000261677296 535137244 /nfs/dbraw/zinc/13/72/44/535137244.db2.gz AARXACQQMYPIFY-UHFFFAOYSA-N 2 1 313.449 2.588 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249888096 535174228 /nfs/dbraw/zinc/17/42/28/535174228.db2.gz PRNIBOUDFBJOCD-AEFFLSMTSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249888096 535174232 /nfs/dbraw/zinc/17/42/32/535174232.db2.gz PRNIBOUDFBJOCD-AEFFLSMTSA-N 2 1 317.477 2.526 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCCc2nc(C)no2)CC1 ZINC000357727768 535215270 /nfs/dbraw/zinc/21/52/70/535215270.db2.gz HUEURYBRJRUWJT-UHFFFAOYSA-N 2 1 308.470 2.755 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@H]1Oc1ccccc1 ZINC000357460572 535511604 /nfs/dbraw/zinc/51/16/04/535511604.db2.gz QYMRODGCCSKCJM-DZJNRPSUSA-N 2 1 306.450 2.541 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000361030021 535592615 /nfs/dbraw/zinc/59/26/15/535592615.db2.gz SOQKKFWQTXURNM-WBVHZDCISA-N 2 1 319.497 2.533 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000361173861 535803653 /nfs/dbraw/zinc/80/36/53/535803653.db2.gz NNPJNPDBFDQSTG-IAGOWNOFSA-N 2 1 309.498 2.522 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261972448 535864481 /nfs/dbraw/zinc/86/44/81/535864481.db2.gz ZDFRJZOYGQOOAC-BBWFWOEESA-N 2 1 315.461 2.555 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261972448 535864484 /nfs/dbraw/zinc/86/44/84/535864484.db2.gz ZDFRJZOYGQOOAC-BBWFWOEESA-N 2 1 315.461 2.555 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000369348044 535932792 /nfs/dbraw/zinc/93/27/92/535932792.db2.gz GUNISXKJLTXSQQ-VAMGGRTRSA-N 2 1 316.489 2.975 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1ccccc1C[NH+](C)C ZINC000362863401 536040749 /nfs/dbraw/zinc/04/07/49/536040749.db2.gz MPYKDHKSPBYZNE-KRWDZBQOSA-N 2 1 317.477 2.695 20 0 DFADMP CC[C@H]1C[N@H+](CCNc2cc(C)[nH+]c3ccc(F)cc23)CCO1 ZINC000362682630 536143917 /nfs/dbraw/zinc/14/39/17/536143917.db2.gz FDNHQUAHBMNJMZ-HNNXBMFYSA-N 2 1 317.408 2.627 20 0 DFADMP CC[C@H]1C[N@@H+](CCNc2cc(C)[nH+]c3ccc(F)cc23)CCO1 ZINC000362682630 536143921 /nfs/dbraw/zinc/14/39/21/536143921.db2.gz FDNHQUAHBMNJMZ-HNNXBMFYSA-N 2 1 317.408 2.627 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000680932751 545565637 /nfs/dbraw/zinc/56/56/37/545565637.db2.gz OEEMLZWPXDJILT-IAQYHMDHSA-N 2 1 320.387 2.785 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000680932751 545565640 /nfs/dbraw/zinc/56/56/40/545565640.db2.gz OEEMLZWPXDJILT-IAQYHMDHSA-N 2 1 320.387 2.785 20 0 DFADMP CCCc1cccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000681483045 545650557 /nfs/dbraw/zinc/65/05/57/545650557.db2.gz JBNRGEHBTZETPE-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCCc1cccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000681483045 545650562 /nfs/dbraw/zinc/65/05/62/545650562.db2.gz JBNRGEHBTZETPE-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000681547846 545669020 /nfs/dbraw/zinc/66/90/20/545669020.db2.gz PXIWOWNLASCFEN-UHFFFAOYSA-N 2 1 315.808 2.592 20 0 DFADMP CC[C@@]1(O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755559 545716047 /nfs/dbraw/zinc/71/60/47/545716047.db2.gz VNYDBNHGZUBCHX-LJQANCHMSA-N 2 1 318.461 2.508 20 0 DFADMP C[N@@H+](Cc1nc2c(s1)CCCC2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681915010 545751138 /nfs/dbraw/zinc/75/11/38/545751138.db2.gz UYJTVOPUVFSLEF-CYBMUJFWSA-N 2 1 316.474 2.913 20 0 DFADMP C[N@H+](Cc1nc2c(s1)CCCC2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681915010 545751143 /nfs/dbraw/zinc/75/11/43/545751143.db2.gz UYJTVOPUVFSLEF-CYBMUJFWSA-N 2 1 316.474 2.913 20 0 DFADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)C[C@H]1CCOc2ccccc21 ZINC000681915030 545752274 /nfs/dbraw/zinc/75/22/74/545752274.db2.gz VFUFPVGVNYEVNP-HZPDHXFCSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)C[C@H]1CCOc2ccccc21 ZINC000681915030 545752277 /nfs/dbraw/zinc/75/22/77/545752277.db2.gz VFUFPVGVNYEVNP-HZPDHXFCSA-N 2 1 311.429 2.944 20 0 DFADMP c1ccc(N2C[C@@H]3C[N@@H+](CCC[NH+]4CCCCC4)C[C@@H]3C2)cc1 ZINC000682027658 545779319 /nfs/dbraw/zinc/77/93/19/545779319.db2.gz GDNXELPXWVSFPT-KDURUIRLSA-N 2 1 313.489 2.931 20 0 DFADMP CO[C@@]1(C(F)(F)F)CCCN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000682036916 545780703 /nfs/dbraw/zinc/78/07/03/545780703.db2.gz HLWVPRHBWQGXBA-KBPBESRZSA-N 2 1 308.388 2.904 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cc1OC ZINC000683471022 546039338 /nfs/dbraw/zinc/03/93/38/546039338.db2.gz LLZIDNXLXLZGDW-CQSZACIVSA-N 2 1 315.417 2.561 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000683473538 546039906 /nfs/dbraw/zinc/03/99/06/546039906.db2.gz ZWFXDIRAAJMPIK-CQSZACIVSA-N 2 1 322.412 2.792 20 0 DFADMP OC[C@@H](CC1CC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691433 546076553 /nfs/dbraw/zinc/07/65/53/546076553.db2.gz GSPIFWKKACJGMV-WTGUMLROSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[NH2+]C1CC[NH+](CCO)CC1 ZINC000684377884 546204895 /nfs/dbraw/zinc/20/48/95/546204895.db2.gz XKKVGTFCUPWONB-KBPBESRZSA-N 2 1 310.869 2.878 20 0 DFADMP c1cnc2c(c1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000684956540 546308672 /nfs/dbraw/zinc/30/86/72/546308672.db2.gz GFEUXNTWQNWWLI-CRAIPNDOSA-N 2 1 315.461 2.550 20 0 DFADMP C[C@H](Cc1ccsc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457665 546353940 /nfs/dbraw/zinc/35/39/40/546353940.db2.gz ITIZIPHRHDRGDR-CRAIPNDOSA-N 2 1 321.534 2.779 20 0 DFADMP Cn1nc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c2ccccc21 ZINC000685463166 546354733 /nfs/dbraw/zinc/35/47/33/546354733.db2.gz VKNDCKOMCCERBT-MRXNPFEDSA-N 2 1 312.461 2.737 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3nc4c(s3)CCC4)C2)CC1 ZINC000685463163 546355349 /nfs/dbraw/zinc/35/53/49/546355349.db2.gz UIVXFWNLDBGQJG-AWEZNQCLSA-N 2 1 305.491 2.796 20 0 DFADMP CC(C)[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566930 546367825 /nfs/dbraw/zinc/36/78/25/546367825.db2.gz RVZKXINFXRFYTB-MJGOQNOKSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@H]1c2ccccc2CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000685566930 546367828 /nfs/dbraw/zinc/36/78/28/546367828.db2.gz RVZKXINFXRFYTB-MJGOQNOKSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000685566930 546367830 /nfs/dbraw/zinc/36/78/30/546367830.db2.gz RVZKXINFXRFYTB-MJGOQNOKSA-N 2 1 302.462 2.697 20 0 DFADMP CC(C)[C@H]1c2ccccc2CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000685566930 546367834 /nfs/dbraw/zinc/36/78/34/546367834.db2.gz RVZKXINFXRFYTB-MJGOQNOKSA-N 2 1 302.462 2.697 20 0 DFADMP COc1ncc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000685576903 546370694 /nfs/dbraw/zinc/37/06/94/546370694.db2.gz MEBRTLLLXCEGJI-GFCCVEGCSA-N 2 1 320.824 2.635 20 0 DFADMP COc1ncc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)cc1Cl ZINC000685576903 546370696 /nfs/dbraw/zinc/37/06/96/546370696.db2.gz MEBRTLLLXCEGJI-GFCCVEGCSA-N 2 1 320.824 2.635 20 0 DFADMP CC(C)(O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000278356222 214112398 /nfs/dbraw/zinc/11/23/98/214112398.db2.gz BAHKCQQHQKVIOU-BCDXTJNWSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278390455 214136759 /nfs/dbraw/zinc/13/67/59/214136759.db2.gz AHMGRQJJILGPTL-WVATUKLVSA-N 2 1 314.832 2.831 20 0 DFADMP COc1cccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278463780 214170663 /nfs/dbraw/zinc/17/06/63/214170663.db2.gz JFTIWMCTUJHPCM-HOTGVXAUSA-N 2 1 306.450 2.847 20 0 DFADMP COc1cccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278463780 214170664 /nfs/dbraw/zinc/17/06/64/214170664.db2.gz JFTIWMCTUJHPCM-HOTGVXAUSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@@H](O)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000278591515 214260274 /nfs/dbraw/zinc/26/02/74/214260274.db2.gz ANBSZTCTONMXRH-OAHLLOKOSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696086 231101977 /nfs/dbraw/zinc/10/19/77/231101977.db2.gz DZORIRUKZMBUEA-FUHWJXTLSA-N 2 1 312.461 2.983 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)Cc1ccc(Br)o1 ZINC000516309899 300339339 /nfs/dbraw/zinc/33/93/39/300339339.db2.gz BMLXDPSGPMXTNH-UHFFFAOYSA-N 2 1 312.211 2.840 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)Cc1ccc(Br)o1 ZINC000516309899 300339343 /nfs/dbraw/zinc/33/93/43/300339343.db2.gz BMLXDPSGPMXTNH-UHFFFAOYSA-N 2 1 312.211 2.840 20 0 DFADMP OCCCCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310010529 231110025 /nfs/dbraw/zinc/11/00/25/231110025.db2.gz KFEJAVSKPNNPAY-MOPGFXCFSA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310010529 231110028 /nfs/dbraw/zinc/11/00/28/231110028.db2.gz KFEJAVSKPNNPAY-MOPGFXCFSA-N 2 1 302.462 2.603 20 0 DFADMP OCCCCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310010529 231110031 /nfs/dbraw/zinc/11/00/31/231110031.db2.gz KFEJAVSKPNNPAY-MOPGFXCFSA-N 2 1 302.462 2.603 20 0 DFADMP CCn1c(C)cc(C(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000314780329 231133492 /nfs/dbraw/zinc/13/34/92/231133492.db2.gz BGRFNTKSMNDCIM-UHFFFAOYSA-N 2 1 305.466 2.581 20 0 DFADMP C[C@H]1CC[N@@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000318004469 231165076 /nfs/dbraw/zinc/16/50/76/231165076.db2.gz GWIWZSAYEDEGOT-STQMWFEESA-N 2 1 320.462 2.647 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000278767801 214387693 /nfs/dbraw/zinc/38/76/93/214387693.db2.gz XSAZFGJUJHMXAB-UONOGXRCSA-N 2 1 311.857 2.887 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc(Cl)nc1 ZINC000278767801 214387696 /nfs/dbraw/zinc/38/76/96/214387696.db2.gz XSAZFGJUJHMXAB-UONOGXRCSA-N 2 1 311.857 2.887 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591907206 398350898 /nfs/dbraw/zinc/35/08/98/398350898.db2.gz YYGMCJKNPGCXKJ-SQWLQELKSA-N 2 1 306.454 2.522 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591907206 398350901 /nfs/dbraw/zinc/35/09/01/398350901.db2.gz YYGMCJKNPGCXKJ-SQWLQELKSA-N 2 1 306.454 2.522 20 0 DFADMP Cc1ccc([C@H](CNC(=[NH2+])NC2CCCC2)[NH+]2CCCC2)o1 ZINC000066246499 398363996 /nfs/dbraw/zinc/36/39/96/398363996.db2.gz CROVFJCJHHWORS-HNNXBMFYSA-N 2 1 304.438 2.781 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCOc2cccc(OC)c2)[C@H](C)C1 ZINC000090060410 185280008 /nfs/dbraw/zinc/28/00/08/185280008.db2.gz OWJABDJTTGFTHX-CRAIPNDOSA-N 2 1 306.450 2.784 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000278209124 214025081 /nfs/dbraw/zinc/02/50/81/214025081.db2.gz HLBQLOWEOZLCJH-CRAIPNDOSA-N 2 1 317.477 2.789 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@H]1SC ZINC000459374786 299090243 /nfs/dbraw/zinc/09/02/43/299090243.db2.gz MFSCVUUAZBHWEM-YYIAUSFCSA-N 2 1 314.539 2.997 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)cc1F ZINC000181366945 199285799 /nfs/dbraw/zinc/28/57/99/199285799.db2.gz JWJYYNJNCLVRCX-UHFFFAOYSA-N 2 1 313.848 2.548 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)Cc3cccn3C)CC2)nc(C)[nH+]1 ZINC000092645097 185330949 /nfs/dbraw/zinc/33/09/49/185330949.db2.gz KRXIHFMDMWOVTI-UHFFFAOYSA-N 2 1 313.449 2.533 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)Cc3cccn3C)CC2)nc(C)[nH+]1 ZINC000092645097 185330950 /nfs/dbraw/zinc/33/09/50/185330950.db2.gz KRXIHFMDMWOVTI-UHFFFAOYSA-N 2 1 313.449 2.533 20 0 DFADMP C[C@@H](c1ccc2c(c1)CCC2)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000459389825 299094407 /nfs/dbraw/zinc/09/44/07/299094407.db2.gz MSFIOBSSSITMSQ-KRWDZBQOSA-N 2 1 315.505 2.806 20 0 DFADMP CN(CC[N@@H+](C)CC1CCC(F)(F)CC1)C1CC[NH+](C)CC1 ZINC000459396172 299096314 /nfs/dbraw/zinc/09/63/14/299096314.db2.gz VJAFKJJIVXEHLM-UHFFFAOYSA-N 2 1 317.468 2.770 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181466681 199301113 /nfs/dbraw/zinc/30/11/13/199301113.db2.gz TVCLKTLTSKACNQ-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181466681 199301115 /nfs/dbraw/zinc/30/11/15/199301115.db2.gz TVCLKTLTSKACNQ-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)OCc2ccccc2)CC[N@@H+]1C ZINC000181470315 199302395 /nfs/dbraw/zinc/30/23/95/199302395.db2.gz SBHKUKJOQGFYPG-WBVHZDCISA-N 2 1 304.434 2.534 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)OCc2ccccc2)CC[N@H+]1C ZINC000181470315 199302397 /nfs/dbraw/zinc/30/23/97/199302397.db2.gz SBHKUKJOQGFYPG-WBVHZDCISA-N 2 1 304.434 2.534 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)OCc2ccccc2)CC[NH+]1C ZINC000181470315 199302399 /nfs/dbraw/zinc/30/23/99/199302399.db2.gz SBHKUKJOQGFYPG-WBVHZDCISA-N 2 1 304.434 2.534 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)OCc2ccccc2)CC[NH+]1C ZINC000181470315 199302401 /nfs/dbraw/zinc/30/24/01/199302401.db2.gz SBHKUKJOQGFYPG-WBVHZDCISA-N 2 1 304.434 2.534 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc(C3CC3)cc2)CC1 ZINC000459404713 299098732 /nfs/dbraw/zinc/09/87/32/299098732.db2.gz REWLFOSKAQJCTN-IBGZPJMESA-N 2 1 302.462 2.746 20 0 DFADMP CC(C)(C)c1cn2c(n1)CC[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)C2 ZINC000459421047 299102239 /nfs/dbraw/zinc/10/22/39/299102239.db2.gz YRAZDEGLALTUGR-OAHLLOKOSA-N 2 1 316.493 2.712 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3cc[nH]c3)CC2)cs1 ZINC000086253567 398419857 /nfs/dbraw/zinc/41/98/57/398419857.db2.gz NRAARGGECVUTSC-UHFFFAOYSA-N 2 1 304.463 2.781 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433643 398425667 /nfs/dbraw/zinc/42/56/67/398425667.db2.gz MXIPKGDRKKNXKN-ROUUACIJSA-N 2 1 316.445 2.685 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000584847501 398421983 /nfs/dbraw/zinc/42/19/83/398421983.db2.gz PEQBKTZUQFNSIO-OAHLLOKOSA-N 2 1 324.432 2.626 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000584847501 398421986 /nfs/dbraw/zinc/42/19/86/398421986.db2.gz PEQBKTZUQFNSIO-OAHLLOKOSA-N 2 1 324.432 2.626 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491668 398433759 /nfs/dbraw/zinc/43/37/59/398433759.db2.gz FWBTZAAVPAJDQA-IRXDYDNUSA-N 2 1 310.482 2.822 20 0 DFADMP CCc1nc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000067452507 398434685 /nfs/dbraw/zinc/43/46/85/398434685.db2.gz FQWCVJOWUZOCMM-OKILXGFUSA-N 2 1 311.495 2.685 20 0 DFADMP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000586763960 398455271 /nfs/dbraw/zinc/45/52/71/398455271.db2.gz JLVMUIWZUCGRTF-HOTGVXAUSA-N 2 1 319.449 2.712 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(-n2ccnn2)cc1 ZINC000459465780 299112839 /nfs/dbraw/zinc/11/28/39/299112839.db2.gz XSULXGHVIUPQAC-AWEZNQCLSA-N 2 1 311.433 2.545 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H]2CCC[C@@H]21 ZINC000586791446 398460151 /nfs/dbraw/zinc/46/01/51/398460151.db2.gz CNPBVBYWEWYDPS-PMPSAXMXSA-N 2 1 310.482 2.961 20 0 DFADMP Cn1cc(-c2ccccc2C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000459470320 299114472 /nfs/dbraw/zinc/11/44/72/299114472.db2.gz UDBVTCLTGVCNMB-UHFFFAOYSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(-n2cccn2)c(F)c1 ZINC000459485363 299118689 /nfs/dbraw/zinc/11/86/89/299118689.db2.gz IOJYNQHWDYDBPE-ZDUSSCGKSA-N 2 1 313.380 2.638 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@@H](C)[S@](C)=O)cc1 ZINC000090515073 398488070 /nfs/dbraw/zinc/48/80/70/398488070.db2.gz XQMFQWHYOLJPAO-ALLJEULLSA-N 2 1 319.474 2.988 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1([C@H](O)c2ccccc2)CC1 ZINC000090771104 398492876 /nfs/dbraw/zinc/49/28/76/398492876.db2.gz IUXKNURTFXUUKC-XYVMCAHJSA-N 2 1 302.462 2.819 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090800595 398493048 /nfs/dbraw/zinc/49/30/48/398493048.db2.gz SRUUXIVRVYZBDP-IZIZEDOESA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090800595 398493052 /nfs/dbraw/zinc/49/30/52/398493052.db2.gz SRUUXIVRVYZBDP-IZIZEDOESA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000090800594 398493155 /nfs/dbraw/zinc/49/31/55/398493155.db2.gz SRUUXIVRVYZBDP-BARLLCKDSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000090800594 398493159 /nfs/dbraw/zinc/49/31/59/398493159.db2.gz SRUUXIVRVYZBDP-BARLLCKDSA-N 2 1 302.462 2.933 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000090888325 398495850 /nfs/dbraw/zinc/49/58/50/398495850.db2.gz LJNCNAURCIFYFW-IAGOWNOFSA-N 2 1 318.461 2.853 20 0 DFADMP Cc1cc2ncn(C[C@@H](O)C[N@H+](C)[C@H](C)C3CC3)c2cc1C ZINC000303095143 398497708 /nfs/dbraw/zinc/49/77/08/398497708.db2.gz OEFFEYUMZJLJRU-ZBFHGGJFSA-N 2 1 301.434 2.744 20 0 DFADMP CC(C)n1ncc2c1C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000459526643 299126005 /nfs/dbraw/zinc/12/60/05/299126005.db2.gz OZTVYBIERATAJF-INIZCTEOSA-N 2 1 302.466 2.538 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000272703392 210108858 /nfs/dbraw/zinc/10/88/58/210108858.db2.gz ZLZCPKRPRKBBNH-WBVHZDCISA-N 2 1 313.449 2.792 20 0 DFADMP c1cc(N2CCC([NH2+]C3CC(N4CCCCC4)C3)CC2)cc[nH+]1 ZINC000459526597 299126177 /nfs/dbraw/zinc/12/61/77/299126177.db2.gz MGUQARWYFCXBLA-UHFFFAOYSA-N 2 1 314.477 2.657 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)c1 ZINC000066045045 282468024 /nfs/dbraw/zinc/46/80/24/282468024.db2.gz NEYMCUIZYPFRJZ-SFHVURJKSA-N 2 1 311.429 2.990 20 0 DFADMP CC[C@H](CCO)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272672860 210075767 /nfs/dbraw/zinc/07/57/67/210075767.db2.gz QCCPTAHFAUVMTJ-LMMKCTJWSA-N 2 1 304.478 2.895 20 0 DFADMP C[N@@H+](CCCNC(=O)CC[C@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000314804034 398522277 /nfs/dbraw/zinc/52/22/77/398522277.db2.gz MEKHURSASHSOLK-MRXNPFEDSA-N 2 1 309.498 2.537 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000459585279 299141474 /nfs/dbraw/zinc/14/14/74/299141474.db2.gz JVWBDDBYYAZUDJ-OMQSBVIBSA-N 2 1 314.473 2.790 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592657 299142819 /nfs/dbraw/zinc/14/28/19/299142819.db2.gz VEZRWJWNOMUJQA-YJBOKZPZSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592657 299142820 /nfs/dbraw/zinc/14/28/20/299142820.db2.gz VEZRWJWNOMUJQA-YJBOKZPZSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592657 299142824 /nfs/dbraw/zinc/14/28/24/299142824.db2.gz VEZRWJWNOMUJQA-YJBOKZPZSA-N 2 1 310.482 2.915 20 0 DFADMP C[C@@H](c1cccnc1)[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000069016925 398543956 /nfs/dbraw/zinc/54/39/56/398543956.db2.gz NMMKCLCTTASKLD-BBWFWOEESA-N 2 1 317.477 2.964 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000272613666 210014756 /nfs/dbraw/zinc/01/47/56/210014756.db2.gz WVXUBUPGNUDSHS-HSALFYBXSA-N 2 1 324.472 2.903 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000320271775 398546679 /nfs/dbraw/zinc/54/66/79/398546679.db2.gz UFJZIWOKKGWGSI-RDJZCZTQSA-N 2 1 320.477 2.955 20 0 DFADMP COC(=O)c1ccc(CN(C)C[C@H]2CC[N@@H+](C)C2)cc1Cl ZINC000597097746 398566706 /nfs/dbraw/zinc/56/67/06/398566706.db2.gz RFCMSRORGQEWCZ-ZDUSSCGKSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)cc1Cl ZINC000597097746 398566711 /nfs/dbraw/zinc/56/67/11/398566711.db2.gz RFCMSRORGQEWCZ-ZDUSSCGKSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1Cl ZINC000597097746 398566716 /nfs/dbraw/zinc/56/67/16/398566716.db2.gz RFCMSRORGQEWCZ-ZDUSSCGKSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)cc1Cl ZINC000597097746 398566721 /nfs/dbraw/zinc/56/67/21/398566721.db2.gz RFCMSRORGQEWCZ-ZDUSSCGKSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)cc1Cl ZINC000597097746 398566725 /nfs/dbraw/zinc/56/67/25/398566725.db2.gz RFCMSRORGQEWCZ-ZDUSSCGKSA-N 2 1 310.825 2.510 20 0 DFADMP C[C@H](C[NH2+]Cc1ccnn1-c1ccc(F)cc1)C[NH+]1CCCC1 ZINC000279861551 215188050 /nfs/dbraw/zinc/18/80/50/215188050.db2.gz IXPAYSXFWOXARI-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1F ZINC000597133381 398573530 /nfs/dbraw/zinc/57/35/30/398573530.db2.gz SSWZJALHRJOLJA-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000597133381 398573521 /nfs/dbraw/zinc/57/35/21/398573521.db2.gz SSWZJALHRJOLJA-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000597133381 398573523 /nfs/dbraw/zinc/57/35/23/398573523.db2.gz SSWZJALHRJOLJA-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1F ZINC000597133381 398573526 /nfs/dbraw/zinc/57/35/26/398573526.db2.gz SSWZJALHRJOLJA-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1F ZINC000597133381 398573533 /nfs/dbraw/zinc/57/35/33/398573533.db2.gz SSWZJALHRJOLJA-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP CSC[C@@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000590028583 398591654 /nfs/dbraw/zinc/59/16/54/398591654.db2.gz VCVAQKUOJPJGAN-MSOLQXFVSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000590028583 398591656 /nfs/dbraw/zinc/59/16/56/398591656.db2.gz VCVAQKUOJPJGAN-MSOLQXFVSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000590028583 398591658 /nfs/dbraw/zinc/59/16/58/398591658.db2.gz VCVAQKUOJPJGAN-MSOLQXFVSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000590028583 398591660 /nfs/dbraw/zinc/59/16/60/398591660.db2.gz VCVAQKUOJPJGAN-MSOLQXFVSA-N 2 1 322.518 2.554 20 0 DFADMP CCC1(C)CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000590126531 398599426 /nfs/dbraw/zinc/59/94/26/398599426.db2.gz MNADDPVAEDPCOW-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP CCC1(C)CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000590126531 398599428 /nfs/dbraw/zinc/59/94/28/398599428.db2.gz MNADDPVAEDPCOW-GOSISDBHSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[N@@H+](Cc1ccco1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000590126288 398598409 /nfs/dbraw/zinc/59/84/09/398598409.db2.gz BSFVFUNQOBBVMA-SFHVURJKSA-N 2 1 316.445 2.983 20 0 DFADMP CC(C)[N@H+](Cc1ccco1)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000590126288 398598411 /nfs/dbraw/zinc/59/84/11/398598411.db2.gz BSFVFUNQOBBVMA-SFHVURJKSA-N 2 1 316.445 2.983 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092897838 398606220 /nfs/dbraw/zinc/60/62/20/398606220.db2.gz WLIIPWGMLQUFEX-OAHLLOKOSA-N 2 1 314.437 2.647 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092897838 398606222 /nfs/dbraw/zinc/60/62/22/398606222.db2.gz WLIIPWGMLQUFEX-OAHLLOKOSA-N 2 1 314.437 2.647 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(C(=O)OC)cc1 ZINC000590248830 398607615 /nfs/dbraw/zinc/60/76/15/398607615.db2.gz LPALWFCTJZAIKR-CVEARBPZSA-N 2 1 313.401 2.725 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)n1 ZINC000092890808 398604982 /nfs/dbraw/zinc/60/49/82/398604982.db2.gz GOIXWFKOUYFMNU-UONOGXRCSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)n1 ZINC000092890808 398604986 /nfs/dbraw/zinc/60/49/86/398604986.db2.gz GOIXWFKOUYFMNU-UONOGXRCSA-N 2 1 314.437 2.503 20 0 DFADMP c1cn(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC000150805671 186067414 /nfs/dbraw/zinc/06/74/14/186067414.db2.gz LYHKIVRPOPBVFI-SFHVURJKSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+](C)C[C@H](N[C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000287149275 219344000 /nfs/dbraw/zinc/34/40/00/219344000.db2.gz SRHRVTAQEBAUFN-BZSNNMDCSA-N 2 1 305.441 2.645 20 0 DFADMP C[C@H](NCC(C)(C)[NH+](C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000152603438 186088743 /nfs/dbraw/zinc/08/87/43/186088743.db2.gz UAJOQWNCZVIPEF-HNNXBMFYSA-N 2 1 307.482 2.618 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000093394992 398635315 /nfs/dbraw/zinc/63/53/15/398635315.db2.gz RYFGDTUHFMUVNI-IEBWSBKVSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000155980942 186125100 /nfs/dbraw/zinc/12/51/00/186125100.db2.gz RZJOPKMPHLVGAB-TYNCELHUSA-N 2 1 324.852 2.930 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000155980942 186125102 /nfs/dbraw/zinc/12/51/02/186125102.db2.gz RZJOPKMPHLVGAB-TYNCELHUSA-N 2 1 324.852 2.930 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)cs1 ZINC000590640472 398643797 /nfs/dbraw/zinc/64/37/97/398643797.db2.gz BKPAMASYNNUIJW-QGZVFWFLSA-N 2 1 307.507 2.657 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000191827655 186260099 /nfs/dbraw/zinc/26/00/99/186260099.db2.gz FBINXOMSGDFFQZ-APWZRJJASA-N 2 1 302.462 2.708 20 0 DFADMP COCCC[NH+]1CCC([NH2+]Cc2ccc(C)c(OC)c2)CC1 ZINC000194282844 186276697 /nfs/dbraw/zinc/27/66/97/186276697.db2.gz LOVYDUQFGMVQCO-UHFFFAOYSA-N 2 1 306.450 2.594 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3CC[NH2+]CC3)cc2)C1 ZINC000237478293 186295737 /nfs/dbraw/zinc/29/57/37/186295737.db2.gz MTHSSCABMAAMOT-OAHLLOKOSA-N 2 1 315.461 2.857 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000268746686 186376365 /nfs/dbraw/zinc/37/63/65/186376365.db2.gz AUDLZCQITNIKSV-USXIJHARSA-N 2 1 318.461 2.851 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)cc1OC ZINC000268746690 186376593 /nfs/dbraw/zinc/37/65/93/186376593.db2.gz AUDLZCQITNIKSV-XIRDDKMYSA-N 2 1 318.461 2.851 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3cnccn23)c1 ZINC000269577799 186389917 /nfs/dbraw/zinc/38/99/17/186389917.db2.gz ONZBYUXLWLXYEY-UHFFFAOYSA-N 2 1 323.444 2.859 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1ncc(Br)s1 ZINC000414804250 295821138 /nfs/dbraw/zinc/82/11/38/295821138.db2.gz OLUMNVBINBMTKE-RKDXNWHRSA-N 2 1 304.257 2.513 20 0 DFADMP Fc1ccc(Br)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414816775 295821195 /nfs/dbraw/zinc/82/11/95/295821195.db2.gz QPEATAOKRRTMSP-FUNVUKJBSA-N 2 1 313.214 2.961 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000414814633 295821356 /nfs/dbraw/zinc/82/13/56/295821356.db2.gz VSNJXXWNEXYDME-UHFFFAOYSA-N 2 1 307.829 2.528 20 0 DFADMP CCCOc1c(C[NH2+]C[C@@H]2CCC[NH2+]C2)cccc1OCC ZINC000414827389 295823133 /nfs/dbraw/zinc/82/31/33/295823133.db2.gz KPBQEBACBUIRIM-OAHLLOKOSA-N 2 1 306.450 2.963 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccc(F)cc2)CCCCC1 ZINC000414835042 295823903 /nfs/dbraw/zinc/82/39/03/295823903.db2.gz CURVSACSZQNVQA-UHFFFAOYSA-N 2 1 302.397 2.967 20 0 DFADMP CSc1cc2c(cc1C[NH2+]CC1([NH3+])CCCCC1)OCCO2 ZINC000414838744 295824648 /nfs/dbraw/zinc/82/46/48/295824648.db2.gz IRDJPPOPVGDULE-UHFFFAOYSA-N 2 1 322.474 2.931 20 0 DFADMP CC[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000459740808 299178955 /nfs/dbraw/zinc/17/89/55/299178955.db2.gz MBIURHJOVUTXAA-MOPGFXCFSA-N 2 1 302.462 2.851 20 0 DFADMP COCCOc1ccccc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459740530 299179113 /nfs/dbraw/zinc/17/91/13/299179113.db2.gz UONQOMGWXXBPQA-INIZCTEOSA-N 2 1 306.450 2.533 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1Cl ZINC000414853771 295826507 /nfs/dbraw/zinc/82/65/07/295826507.db2.gz YBYWHXBFKRWHPM-TZMCWYRMSA-N 2 1 309.841 2.707 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414855361 295826704 /nfs/dbraw/zinc/82/67/04/295826704.db2.gz MXCKNPAIWNDZMM-HNNXBMFYSA-N 2 1 311.429 2.846 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414856032 295826845 /nfs/dbraw/zinc/82/68/45/295826845.db2.gz XZHQTZLHVRLMBJ-QGZVFWFLSA-N 2 1 323.525 2.911 20 0 DFADMP Fc1cc(Br)ccc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414906960 295833384 /nfs/dbraw/zinc/83/33/84/295833384.db2.gz QCYUNDZNISOFQG-GFCCVEGCSA-N 2 1 301.203 2.820 20 0 DFADMP COc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)c(SC)cc1OC ZINC000414904490 295832811 /nfs/dbraw/zinc/83/28/11/295832811.db2.gz LSPDWUXKZUNLRP-CYBMUJFWSA-N 2 1 310.463 2.657 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)C[C@@H]1C ZINC000414923856 295835685 /nfs/dbraw/zinc/83/56/85/295835685.db2.gz GGFWTFHTXJFZJW-CAOSSQGBSA-N 2 1 310.482 2.722 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000073225084 398668997 /nfs/dbraw/zinc/66/89/97/398668997.db2.gz LZBHZZNBVRHJAY-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP COc1sc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1Br ZINC000414928359 295836092 /nfs/dbraw/zinc/83/60/92/295836092.db2.gz AVBZGXSJUAFHNG-DTWKUNHWSA-N 2 1 319.268 2.749 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414956059 295840538 /nfs/dbraw/zinc/84/05/38/295840538.db2.gz MXXQZCVAWFORLR-WBMJQRKESA-N 2 1 304.825 2.613 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000414993341 295844858 /nfs/dbraw/zinc/84/48/58/295844858.db2.gz CNJGJQSXHUPGBW-HNNXBMFYSA-N 2 1 320.387 2.720 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1F ZINC000414997466 295845253 /nfs/dbraw/zinc/84/52/53/295845253.db2.gz HSSAOLOYFKWUMX-LBPRGKRZSA-N 2 1 302.340 2.559 20 0 DFADMP Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000415002265 295846076 /nfs/dbraw/zinc/84/60/76/295846076.db2.gz LUQIMWBGOCGPNW-ZDUSSCGKSA-N 2 1 309.335 2.708 20 0 DFADMP C[C@H](CCc1ccccc1F)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415011246 295847020 /nfs/dbraw/zinc/84/70/20/295847020.db2.gz ZSVCYFVHXOSLNX-TZMCWYRMSA-N 2 1 300.368 2.981 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@@H]2COc3ccccc3O2)CC1 ZINC000590818853 398681002 /nfs/dbraw/zinc/68/10/02/398681002.db2.gz AHUCECXUTBVLCO-QGZVFWFLSA-N 2 1 318.461 2.879 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000459791027 299194147 /nfs/dbraw/zinc/19/41/47/299194147.db2.gz ROWJZDNXQVWOAT-YJBOKZPZSA-N 2 1 302.462 2.874 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H](C[NH3+])C3CCCC3)CC2)n1 ZINC000415063298 295853400 /nfs/dbraw/zinc/85/34/00/295853400.db2.gz HRIJYMHUXQTEMW-OAHLLOKOSA-N 2 1 308.495 2.527 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415082015 295855482 /nfs/dbraw/zinc/85/54/82/295855482.db2.gz LEGHOTIRXNNSPP-RDJZCZTQSA-N 2 1 306.450 2.640 20 0 DFADMP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000173868544 198262038 /nfs/dbraw/zinc/26/20/38/198262038.db2.gz MTMWAISLOIKULS-QAPCUYQASA-N 2 1 306.425 2.667 20 0 DFADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000173868544 198262040 /nfs/dbraw/zinc/26/20/40/198262040.db2.gz MTMWAISLOIKULS-QAPCUYQASA-N 2 1 306.425 2.667 20 0 DFADMP Clc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)n1 ZINC000173958707 198272705 /nfs/dbraw/zinc/27/27/05/198272705.db2.gz QAQJRWBLVKVISZ-UHFFFAOYSA-N 2 1 323.868 2.812 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc3ccccc3c2)CC1 ZINC000105477099 398693514 /nfs/dbraw/zinc/69/35/14/398693514.db2.gz LUQCCJQEEHNYAU-UHFFFAOYSA-N 2 1 311.473 2.957 20 0 DFADMP CC(C)OC(=O)C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415113194 295859623 /nfs/dbraw/zinc/85/96/23/295859623.db2.gz WJPZEOZFAHYUEZ-DOTOQJQBSA-N 2 1 304.434 2.659 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(OCCOC)cc2)CC1 ZINC000107313918 398701813 /nfs/dbraw/zinc/70/18/13/398701813.db2.gz BITZQOXORDQOBA-UHFFFAOYSA-N 2 1 306.450 2.676 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+]CC(C)(C)C)cc2)CC1 ZINC000107801620 398704446 /nfs/dbraw/zinc/70/44/46/398704446.db2.gz SVPYRAMXRRHFSN-UHFFFAOYSA-N 2 1 303.494 2.960 20 0 DFADMP CC(C)CN(C(=O)C[N@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1)C(C)C ZINC000129353168 283011498 /nfs/dbraw/zinc/01/14/98/283011498.db2.gz JBCUTBWDMYLCAM-SJORKVTESA-N 2 1 320.481 2.659 20 0 DFADMP CC(C)CN(C(=O)CN1CC[C@@H](C)[C@@H](n2ccnc2)C1)C(C)C ZINC000129353168 283011502 /nfs/dbraw/zinc/01/15/02/283011502.db2.gz JBCUTBWDMYLCAM-SJORKVTESA-N 2 1 320.481 2.659 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129575171 283021461 /nfs/dbraw/zinc/02/14/61/283021461.db2.gz GTZPDPCQCPNSEY-GJYPPUQNSA-N 2 1 312.461 2.733 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000276981756 213218506 /nfs/dbraw/zinc/21/85/06/213218506.db2.gz SPPFTUQJMCNQTP-UHFFFAOYSA-N 2 1 306.450 2.533 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000367616177 283136004 /nfs/dbraw/zinc/13/60/04/283136004.db2.gz LKJJSPCPCXGCAU-AABGKKOBSA-N 2 1 313.489 2.507 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236883209 202050956 /nfs/dbraw/zinc/05/09/56/202050956.db2.gz DPTPVSLBNXKFBB-QAPCUYQASA-N 2 1 317.477 2.662 20 0 DFADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)(C)C ZINC000134449434 283187355 /nfs/dbraw/zinc/18/73/55/283187355.db2.gz LELXZQKATIHGKY-UHFFFAOYSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2CCC([NH3+])CC2)cc1)C(C)C ZINC000236994345 202112216 /nfs/dbraw/zinc/11/22/16/202112216.db2.gz FMJHFJMNSLVOHK-UHFFFAOYSA-N 2 1 317.477 2.917 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1)C(C)C ZINC000236995474 202113901 /nfs/dbraw/zinc/11/39/01/202113901.db2.gz HFLYVUTXJRGEJN-IBGZPJMESA-N 2 1 317.477 2.774 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](C)c1ccc(OCC(=O)OC)cc1 ZINC000276929696 213182163 /nfs/dbraw/zinc/18/21/63/213182163.db2.gz QOKGRRZPOWBKOU-OAHLLOKOSA-N 2 1 322.449 2.621 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000237157417 202170984 /nfs/dbraw/zinc/17/09/84/202170984.db2.gz YHRQQYGLNNUJPS-OBGWFSINSA-N 2 1 315.505 2.953 20 0 DFADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000237188063 202182585 /nfs/dbraw/zinc/18/25/85/202182585.db2.gz KLLQZACAYTURHT-IBGZPJMESA-N 2 1 301.478 2.582 20 0 DFADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000262552896 283280299 /nfs/dbraw/zinc/28/02/99/283280299.db2.gz STHJBPVBWXNLGZ-HZPDHXFCSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330183 283281284 /nfs/dbraw/zinc/28/12/84/283281284.db2.gz WFKFVUFHWANSGD-JTDSTZFVSA-N 3 1 312.461 2.750 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594493387 398809024 /nfs/dbraw/zinc/80/90/24/398809024.db2.gz HLUNJUORJDLXLX-KBXCAEBGSA-N 2 1 316.445 2.782 20 0 DFADMP CC(C)CSCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000594499207 398810986 /nfs/dbraw/zinc/81/09/86/398810986.db2.gz BFHGGWHGSRVXSX-MRXNPFEDSA-N 2 1 300.512 2.609 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C(=O)OC(C)(C)C ZINC000594510515 398812990 /nfs/dbraw/zinc/81/29/90/398812990.db2.gz AFNFLQNAHQSKRZ-JYJNAYRXSA-N 2 1 310.482 2.817 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179632970 199067235 /nfs/dbraw/zinc/06/72/35/199067235.db2.gz GCSFUUKQEDGKLR-QGZVFWFLSA-N 2 1 312.461 2.873 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000179632970 199067237 /nfs/dbraw/zinc/06/72/37/199067237.db2.gz GCSFUUKQEDGKLR-QGZVFWFLSA-N 2 1 312.461 2.873 20 0 DFADMP CC(C)(C[NH2+]Cc1ccc(N2CCCC2)nc1)C[NH+]1CCCC1 ZINC000276724513 213069071 /nfs/dbraw/zinc/06/90/71/213069071.db2.gz TYCHWDNSCRNPKX-UHFFFAOYSA-N 2 1 316.493 2.893 20 0 DFADMP COC(=O)c1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)c(C)o1 ZINC000594608085 398830724 /nfs/dbraw/zinc/83/07/24/398830724.db2.gz IDTBDYMAWGYVNU-HNNXBMFYSA-N 2 1 310.438 2.831 20 0 DFADMP CC[C@@H](O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180162974 199124795 /nfs/dbraw/zinc/12/47/95/199124795.db2.gz GEZZYKZWBUGRKO-XVLXNVKGSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H](CCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180163431 199125276 /nfs/dbraw/zinc/12/52/76/199125276.db2.gz SLVJVFQQFYZMGG-UXDRXVOSSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000237351698 202241543 /nfs/dbraw/zinc/24/15/43/202241543.db2.gz JUYXJSQSQLPRNF-CZUORRHYSA-N 2 1 319.474 2.662 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CSC[NH2+]2)cc1 ZINC000237351698 202241544 /nfs/dbraw/zinc/24/15/44/202241544.db2.gz JUYXJSQSQLPRNF-CZUORRHYSA-N 2 1 319.474 2.662 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000594941766 398877625 /nfs/dbraw/zinc/87/76/25/398877625.db2.gz UQRIEILHUQOBDJ-BURFUSLBSA-N 2 1 318.461 2.684 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(F)c(OC)c2)CC1 ZINC000153514109 283371847 /nfs/dbraw/zinc/37/18/47/283371847.db2.gz SNUIBLVQZXPTKM-CQSZACIVSA-N 2 1 324.440 2.986 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@]1(C)CCCC[NH2+]1)c1ccccc1Cl ZINC000180979277 199236602 /nfs/dbraw/zinc/23/66/02/199236602.db2.gz IQXVISAIKNBGGE-WBVHZDCISA-N 2 1 323.868 2.591 20 0 DFADMP Cc1ccc(CNCc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000180986381 199237164 /nfs/dbraw/zinc/23/71/64/199237164.db2.gz GQZNKBYAHDUEQM-SFHVURJKSA-N 2 1 314.429 2.835 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)o1 ZINC000180986381 199237166 /nfs/dbraw/zinc/23/71/66/199237166.db2.gz GQZNKBYAHDUEQM-SFHVURJKSA-N 2 1 314.429 2.835 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)o1 ZINC000180986381 199237168 /nfs/dbraw/zinc/23/71/68/199237168.db2.gz GQZNKBYAHDUEQM-SFHVURJKSA-N 2 1 314.429 2.835 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([S@](C)=O)cc1 ZINC000598969320 398899618 /nfs/dbraw/zinc/89/96/18/398899618.db2.gz FHKQKJSIENGJAO-KUUHDYPXSA-N 2 1 308.491 2.947 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([S@](C)=O)cc1 ZINC000598969320 398899621 /nfs/dbraw/zinc/89/96/21/398899621.db2.gz FHKQKJSIENGJAO-KUUHDYPXSA-N 2 1 308.491 2.947 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186761338 200004995 /nfs/dbraw/zinc/00/49/95/200004995.db2.gz RZOOBJMRWACIEQ-HNNXBMFYSA-N 2 1 304.434 2.715 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186761338 200004996 /nfs/dbraw/zinc/00/49/96/200004996.db2.gz RZOOBJMRWACIEQ-HNNXBMFYSA-N 2 1 304.434 2.715 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCc2ccccc2C(=O)OC)C1 ZINC000187114779 200064286 /nfs/dbraw/zinc/06/42/86/200064286.db2.gz NMNBTEQVUZBYIX-MRXNPFEDSA-N 2 1 318.461 2.679 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccccc2C(=O)OC)C1 ZINC000187114779 200064288 /nfs/dbraw/zinc/06/42/88/200064288.db2.gz NMNBTEQVUZBYIX-MRXNPFEDSA-N 2 1 318.461 2.679 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000187114779 200064290 /nfs/dbraw/zinc/06/42/90/200064290.db2.gz NMNBTEQVUZBYIX-MRXNPFEDSA-N 2 1 318.461 2.679 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccccc2C(=O)OC)C1 ZINC000187114779 200064292 /nfs/dbraw/zinc/06/42/92/200064292.db2.gz NMNBTEQVUZBYIX-MRXNPFEDSA-N 2 1 318.461 2.679 20 0 DFADMP COC(=O)CC1CCC([NH2+]CC2([NH+](C)C)CCCCC2)CC1 ZINC000599023290 398909316 /nfs/dbraw/zinc/90/93/16/398909316.db2.gz TWDRSOZTHBOKNA-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP CCC[C@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000187677619 200143629 /nfs/dbraw/zinc/14/36/29/200143629.db2.gz LXWWBERJGBJDNY-SFHVURJKSA-N 2 1 303.494 2.925 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC(=O)CCC[NH3+])C1 ZINC000237522697 202269911 /nfs/dbraw/zinc/26/99/11/202269911.db2.gz YKGQOJBCABHOCS-IYBDPMFKSA-N 2 1 317.477 2.520 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC(=O)CCC[NH3+])cc2)C1 ZINC000237522318 202270398 /nfs/dbraw/zinc/27/03/98/202270398.db2.gz MJPIVCKXRAXHGH-IYBDPMFKSA-N 2 1 317.477 2.520 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000599071649 398917184 /nfs/dbraw/zinc/91/71/84/398917184.db2.gz RUAKSRHUDQRIMV-OLZOCXBDSA-N 2 1 310.463 2.917 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000599071649 398917186 /nfs/dbraw/zinc/91/71/86/398917186.db2.gz RUAKSRHUDQRIMV-OLZOCXBDSA-N 2 1 310.463 2.917 20 0 DFADMP OCC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000187976524 200185440 /nfs/dbraw/zinc/18/54/40/200185440.db2.gz BQRHZXBUCVQACH-AZUAARDMSA-N 2 1 316.489 2.834 20 0 DFADMP Cc1cccc(C[NH+]2CCN(C(=O)CCCCCC[NH3+])CC2)c1 ZINC000237629353 202310121 /nfs/dbraw/zinc/31/01/21/202310121.db2.gz FTVDFBXENPWMEK-UHFFFAOYSA-N 2 1 317.477 2.548 20 0 DFADMP FC(F)COCC[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000188760459 200300704 /nfs/dbraw/zinc/30/07/04/200300704.db2.gz LTLXIWDBRLAGHY-ZACQAIPSSA-N 2 1 324.415 2.768 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189050887 200341309 /nfs/dbraw/zinc/34/13/09/200341309.db2.gz AWOLQJIMTRHGIY-MRXNPFEDSA-N 2 1 316.424 2.502 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000189050887 200341311 /nfs/dbraw/zinc/34/13/11/200341311.db2.gz AWOLQJIMTRHGIY-MRXNPFEDSA-N 2 1 316.424 2.502 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333003 296011195 /nfs/dbraw/zinc/01/11/95/296011195.db2.gz PCVNNGBKLPXJLK-HRCADAONSA-N 2 1 321.534 2.856 20 0 DFADMP C[C@H](NCC1([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417356342 296013444 /nfs/dbraw/zinc/01/34/44/296013444.db2.gz PFVPUVGQLAZYEE-FUHWJXTLSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417356342 296013446 /nfs/dbraw/zinc/01/34/46/296013446.db2.gz PFVPUVGQLAZYEE-FUHWJXTLSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]([NH2+]CC1(N(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417356342 296013447 /nfs/dbraw/zinc/01/34/47/296013447.db2.gz PFVPUVGQLAZYEE-FUHWJXTLSA-N 2 1 301.478 2.581 20 0 DFADMP Cn1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471837062 299308970 /nfs/dbraw/zinc/30/89/70/299308970.db2.gz YTISLVYDBJCKFS-MOPGFXCFSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1cncc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471866457 299310946 /nfs/dbraw/zinc/31/09/46/299310946.db2.gz UIJUPZRUFXXBRT-MJGOQNOKSA-N 2 1 312.461 2.592 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000599291139 398948310 /nfs/dbraw/zinc/94/83/10/398948310.db2.gz GWLRUPNQOAWCEJ-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP COC(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000599296329 398950124 /nfs/dbraw/zinc/95/01/24/398950124.db2.gz UYUYCRZKUMRSCP-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)CCCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000599296329 398950127 /nfs/dbraw/zinc/95/01/27/398950127.db2.gz UYUYCRZKUMRSCP-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)CCCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000599296329 398950130 /nfs/dbraw/zinc/95/01/30/398950130.db2.gz UYUYCRZKUMRSCP-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP COc1cccc(C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C2CC2)c1 ZINC000271897517 209306996 /nfs/dbraw/zinc/30/69/96/209306996.db2.gz UQTPMRJMHYKEJX-LJQANCHMSA-N 2 1 300.446 2.868 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000271898683 209306879 /nfs/dbraw/zinc/30/68/79/209306879.db2.gz VBGLIQBNQOSJSH-AWEZNQCLSA-N 2 1 315.417 2.556 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ncc(Br)s1 ZINC000271895377 209304828 /nfs/dbraw/zinc/30/48/28/209304828.db2.gz TTYNXRUYXFXJOC-VIFPVBQESA-N 2 1 316.268 2.818 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ncc(Br)s1 ZINC000271895377 209304831 /nfs/dbraw/zinc/30/48/31/209304831.db2.gz TTYNXRUYXFXJOC-VIFPVBQESA-N 2 1 316.268 2.818 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)CC[N@@H+]1C ZINC000292757067 223231255 /nfs/dbraw/zinc/23/12/55/223231255.db2.gz IPQAVADWWPVOEQ-VNQPRFMTSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)CC[N@H+]1C ZINC000292757067 223231256 /nfs/dbraw/zinc/23/12/56/223231256.db2.gz IPQAVADWWPVOEQ-VNQPRFMTSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC[NH+]1C ZINC000292757067 223231259 /nfs/dbraw/zinc/23/12/59/223231259.db2.gz IPQAVADWWPVOEQ-VNQPRFMTSA-N 2 1 302.418 2.881 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC[NH+]1C ZINC000292757067 223231260 /nfs/dbraw/zinc/23/12/60/223231260.db2.gz IPQAVADWWPVOEQ-VNQPRFMTSA-N 2 1 302.418 2.881 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193267704 201016951 /nfs/dbraw/zinc/01/69/51/201016951.db2.gz NAWFWBJSFJHOPM-OAHLLOKOSA-N 2 1 313.445 2.985 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000193295760 201023277 /nfs/dbraw/zinc/02/32/77/201023277.db2.gz ZCWGWPKGSAKKQO-JKSUJKDBSA-N 2 1 317.477 2.662 20 0 DFADMP Cc1cccc(N2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000472847875 299327033 /nfs/dbraw/zinc/32/70/33/299327033.db2.gz HDBNOLMNOCUEDR-GOSISDBHSA-N 2 1 301.478 2.991 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000600167110 398982849 /nfs/dbraw/zinc/98/28/49/398982849.db2.gz OOBXZZORVPTRRH-LRDDRELGSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000600167110 398982853 /nfs/dbraw/zinc/98/28/53/398982853.db2.gz OOBXZZORVPTRRH-LRDDRELGSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000600167110 398982858 /nfs/dbraw/zinc/98/28/58/398982858.db2.gz OOBXZZORVPTRRH-LRDDRELGSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000600167110 398982861 /nfs/dbraw/zinc/98/28/61/398982861.db2.gz OOBXZZORVPTRRH-LRDDRELGSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000600167112 398983065 /nfs/dbraw/zinc/98/30/65/398983065.db2.gz OOBXZZORVPTRRH-MLGOLLRUSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)c1C ZINC000600167112 398983069 /nfs/dbraw/zinc/98/30/69/398983069.db2.gz OOBXZZORVPTRRH-MLGOLLRUSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)c1C ZINC000600167112 398983075 /nfs/dbraw/zinc/98/30/75/398983075.db2.gz OOBXZZORVPTRRH-MLGOLLRUSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)c1C ZINC000600167112 398983078 /nfs/dbraw/zinc/98/30/78/398983078.db2.gz OOBXZZORVPTRRH-MLGOLLRUSA-N 2 1 321.465 2.580 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]2C1 ZINC000194541098 201247255 /nfs/dbraw/zinc/24/72/55/201247255.db2.gz PFXIVFOIBJUDJH-GASCZTMLSA-N 2 1 316.836 2.724 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]2C1 ZINC000194541098 201247258 /nfs/dbraw/zinc/24/72/58/201247258.db2.gz PFXIVFOIBJUDJH-GASCZTMLSA-N 2 1 316.836 2.724 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]2C1 ZINC000194541098 201247261 /nfs/dbraw/zinc/24/72/61/201247261.db2.gz PFXIVFOIBJUDJH-GASCZTMLSA-N 2 1 316.836 2.724 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@@H]2C1 ZINC000194541098 201247265 /nfs/dbraw/zinc/24/72/65/201247265.db2.gz PFXIVFOIBJUDJH-GASCZTMLSA-N 2 1 316.836 2.724 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417738564 296045538 /nfs/dbraw/zinc/04/55/38/296045538.db2.gz XEINQMYSPQHSPJ-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417738564 296045540 /nfs/dbraw/zinc/04/55/40/296045540.db2.gz XEINQMYSPQHSPJ-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP CC1(C)C[NH+](C/C=C\C[N@H+]2CCCOC(C)(C)C2)CCCO1 ZINC000604999015 398988868 /nfs/dbraw/zinc/98/88/68/398988868.db2.gz CFDHABDJBUSEFV-WAYWQWQTSA-N 2 1 310.482 2.544 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1)c1ccccc1 ZINC000167717090 398995315 /nfs/dbraw/zinc/99/53/15/398995315.db2.gz YCLMDTLMUPNBRM-SJLPKXTDSA-N 2 1 315.461 2.600 20 0 DFADMP CC(C)OCCC[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284875 201373303 /nfs/dbraw/zinc/37/33/03/201373303.db2.gz IJSHIYXYAVIEBV-GOSISDBHSA-N 2 1 305.466 2.650 20 0 DFADMP CC(C)OCCC[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284875 201373307 /nfs/dbraw/zinc/37/33/07/201373307.db2.gz IJSHIYXYAVIEBV-GOSISDBHSA-N 2 1 305.466 2.650 20 0 DFADMP CC(C)OCCC[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284875 201373309 /nfs/dbraw/zinc/37/33/09/201373309.db2.gz IJSHIYXYAVIEBV-GOSISDBHSA-N 2 1 305.466 2.650 20 0 DFADMP CC(C)OCCC[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195284875 201373314 /nfs/dbraw/zinc/37/33/14/201373314.db2.gz IJSHIYXYAVIEBV-GOSISDBHSA-N 2 1 305.466 2.650 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000078974357 399004578 /nfs/dbraw/zinc/00/45/78/399004578.db2.gz MTRDCOPWHMESGS-HZPDHXFCSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000078974357 399004583 /nfs/dbraw/zinc/00/45/83/399004583.db2.gz MTRDCOPWHMESGS-HZPDHXFCSA-N 2 1 323.481 2.602 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417839361 296056710 /nfs/dbraw/zinc/05/67/10/296056710.db2.gz LLQDMHGUENXNRX-MRXNPFEDSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417839361 296056711 /nfs/dbraw/zinc/05/67/11/296056711.db2.gz LLQDMHGUENXNRX-MRXNPFEDSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3COC(C)(C)C3)c2)CCO1 ZINC000417872003 296059659 /nfs/dbraw/zinc/05/96/59/296059659.db2.gz KJEXDRUSZIVCEP-YJBOKZPZSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3COC(C)(C)C3)c2)CCO1 ZINC000417872003 296059661 /nfs/dbraw/zinc/05/96/61/296059661.db2.gz KJEXDRUSZIVCEP-YJBOKZPZSA-N 2 1 318.461 2.564 20 0 DFADMP Clc1ccc2nc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)cn2c1 ZINC000275527032 212394497 /nfs/dbraw/zinc/39/44/97/212394497.db2.gz LMPQOSXOWHNGKX-GFCCVEGCSA-N 2 1 315.808 2.536 20 0 DFADMP C[C@H](C[NH2+]Cc1ccccc1C(=O)N(C)C)C[NH+]1CCCCC1 ZINC000417891649 296061549 /nfs/dbraw/zinc/06/15/49/296061549.db2.gz QWXHRZSNJYGCTK-MRXNPFEDSA-N 2 1 317.477 2.600 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)n1-c1ccccc1 ZINC000275505079 212379957 /nfs/dbraw/zinc/37/99/57/212379957.db2.gz JVJLSYZYLXVPMF-MRXNPFEDSA-N 2 1 321.428 2.729 20 0 DFADMP CCn1nncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417951220 296065995 /nfs/dbraw/zinc/06/59/95/296065995.db2.gz YHBNDMHKFATJDV-BBRMVZONSA-N 2 1 319.478 2.532 20 0 DFADMP CCn1nncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417951220 296065996 /nfs/dbraw/zinc/06/59/96/296065996.db2.gz YHBNDMHKFATJDV-BBRMVZONSA-N 2 1 319.478 2.532 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000091333632 193041851 /nfs/dbraw/zinc/04/18/51/193041851.db2.gz ISULIQRDGFSNPQ-INIZCTEOSA-N 2 1 323.912 2.888 20 0 DFADMP CCCc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)s1 ZINC000621716181 399043916 /nfs/dbraw/zinc/04/39/16/399043916.db2.gz UYXSVPZUCLAWPK-INIZCTEOSA-N 2 1 321.534 2.912 20 0 DFADMP CCCc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)s1 ZINC000621716181 399043921 /nfs/dbraw/zinc/04/39/21/399043921.db2.gz UYXSVPZUCLAWPK-INIZCTEOSA-N 2 1 321.534 2.912 20 0 DFADMP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000079443018 399045111 /nfs/dbraw/zinc/04/51/11/399045111.db2.gz NSGBAFKTOGDXCM-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000079443018 399045117 /nfs/dbraw/zinc/04/51/17/399045117.db2.gz NSGBAFKTOGDXCM-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000079443018 399045123 /nfs/dbraw/zinc/04/51/23/399045123.db2.gz NSGBAFKTOGDXCM-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000079443018 399045130 /nfs/dbraw/zinc/04/51/30/399045130.db2.gz NSGBAFKTOGDXCM-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H](C)[N@@H+](C)C2CC2)cc1 ZINC000057709439 399056247 /nfs/dbraw/zinc/05/62/47/399056247.db2.gz SKOWMXDQDYAXNR-OAHLLOKOSA-N 2 1 317.477 2.741 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCCC[C@@H]12 ZINC000595729365 399059203 /nfs/dbraw/zinc/05/92/03/399059203.db2.gz DWEOUFNZCJOPOC-KSZLIROESA-N 2 1 322.493 2.916 20 0 DFADMP CCOC(=O)[C@@H](C)[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000057844264 399066313 /nfs/dbraw/zinc/06/63/13/399066313.db2.gz RQDYDBPCDDAPLT-MRXNPFEDSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000057844264 399066320 /nfs/dbraw/zinc/06/63/20/399066320.db2.gz RQDYDBPCDDAPLT-MRXNPFEDSA-N 2 1 318.461 2.782 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293069538 223381096 /nfs/dbraw/zinc/38/10/96/223381096.db2.gz VGTKEEDFROYXPT-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293069538 223381098 /nfs/dbraw/zinc/38/10/98/223381098.db2.gz VGTKEEDFROYXPT-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293069538 223381101 /nfs/dbraw/zinc/38/11/01/223381101.db2.gz VGTKEEDFROYXPT-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293069538 223381103 /nfs/dbraw/zinc/38/11/03/223381103.db2.gz VGTKEEDFROYXPT-LJQANCHMSA-N 2 1 318.461 2.882 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CCC[NH+](C)C1 ZINC000092253540 193181248 /nfs/dbraw/zinc/18/12/48/193181248.db2.gz HLNKIUGCUMKGRX-ZDUSSCGKSA-N 2 1 304.463 2.912 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CCC[NH+](C)C1 ZINC000092253540 193181250 /nfs/dbraw/zinc/18/12/50/193181250.db2.gz HLNKIUGCUMKGRX-ZDUSSCGKSA-N 2 1 304.463 2.912 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CCC[N@H+](C)C1 ZINC000092253540 193181252 /nfs/dbraw/zinc/18/12/52/193181252.db2.gz HLNKIUGCUMKGRX-ZDUSSCGKSA-N 2 1 304.463 2.912 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1cccs1)C[C@H]1CCC[N@@H+](C)C1 ZINC000092253540 193181254 /nfs/dbraw/zinc/18/12/54/193181254.db2.gz HLNKIUGCUMKGRX-ZDUSSCGKSA-N 2 1 304.463 2.912 20 0 DFADMP COCCCOc1cccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253960 193180388 /nfs/dbraw/zinc/18/03/88/193180388.db2.gz QRPJOIHVYYZMFU-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP COCCCOc1cccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000092253960 193180390 /nfs/dbraw/zinc/18/03/90/193180390.db2.gz QRPJOIHVYYZMFU-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP COCCCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000092253960 193180391 /nfs/dbraw/zinc/18/03/91/193180391.db2.gz QRPJOIHVYYZMFU-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP COCCCOc1cccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000092253960 193180393 /nfs/dbraw/zinc/18/03/93/193180393.db2.gz QRPJOIHVYYZMFU-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)ccc1F ZINC000268924431 296121819 /nfs/dbraw/zinc/12/18/19/296121819.db2.gz PKOLQHYFQUDPNI-HIFRSBDPSA-N 2 1 312.404 2.852 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCOCC3CCC3)C2)[nH+]1 ZINC000419210515 296128167 /nfs/dbraw/zinc/12/81/67/296128167.db2.gz VFJZSCLVFOUMFN-KRWDZBQOSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOCC3CCC3)C2)[nH+]1 ZINC000419210515 296128168 /nfs/dbraw/zinc/12/81/68/296128168.db2.gz VFJZSCLVFOUMFN-KRWDZBQOSA-N 2 1 303.450 2.941 20 0 DFADMP [NH3+]CCCCCCC(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000262004206 203172486 /nfs/dbraw/zinc/17/24/86/203172486.db2.gz QDTPXYSYCIZQLT-INIZCTEOSA-N 2 1 323.868 2.722 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C=C/c3ccc(F)cc3)C2)CC1 ZINC000093133137 193205514 /nfs/dbraw/zinc/20/55/14/193205514.db2.gz VQTYDYHIPHQIDY-RTLBZRNLSA-N 2 1 317.452 2.551 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000093147081 193207970 /nfs/dbraw/zinc/20/79/70/193207970.db2.gz FYPZEHVQZYCKNV-MRXNPFEDSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000093147081 193207971 /nfs/dbraw/zinc/20/79/71/193207971.db2.gz FYPZEHVQZYCKNV-MRXNPFEDSA-N 2 1 307.507 2.658 20 0 DFADMP C[N@H+](CC1=CCCOC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093336974 193233925 /nfs/dbraw/zinc/23/39/25/193233925.db2.gz OCXPSIWUHQXBIP-SFHVURJKSA-N 2 1 300.446 2.787 20 0 DFADMP C[NH+](CC1=CCCOC1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000093336974 193233927 /nfs/dbraw/zinc/23/39/27/193233927.db2.gz OCXPSIWUHQXBIP-SFHVURJKSA-N 2 1 300.446 2.787 20 0 DFADMP C[NH+](CC1=CCCOC1)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000093336974 193233929 /nfs/dbraw/zinc/23/39/29/193233929.db2.gz OCXPSIWUHQXBIP-SFHVURJKSA-N 2 1 300.446 2.787 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340200978 284160473 /nfs/dbraw/zinc/16/04/73/284160473.db2.gz HGAHRNKVXYBBRJ-LSDHHAIUSA-N 2 1 316.367 2.990 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOCC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340200978 284160476 /nfs/dbraw/zinc/16/04/76/284160476.db2.gz HGAHRNKVXYBBRJ-LSDHHAIUSA-N 2 1 316.367 2.990 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639465 193279441 /nfs/dbraw/zinc/27/94/41/193279441.db2.gz NMZGYQLKCFSDDA-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639465 193279444 /nfs/dbraw/zinc/27/94/44/193279444.db2.gz NMZGYQLKCFSDDA-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639465 193279445 /nfs/dbraw/zinc/27/94/45/193279445.db2.gz NMZGYQLKCFSDDA-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000093639465 193279448 /nfs/dbraw/zinc/27/94/48/193279448.db2.gz NMZGYQLKCFSDDA-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP Cc1ccc(NCCCNC(=O)CC2(C[NH3+])CCCCC2)[nH+]c1 ZINC000262695834 203384496 /nfs/dbraw/zinc/38/44/96/203384496.db2.gz XKYWLKWBXZSFAI-UHFFFAOYSA-N 2 1 318.465 2.608 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)CCSC)CC1 ZINC000093509596 193261218 /nfs/dbraw/zinc/26/12/18/193261218.db2.gz WPNZYZNIWNYJHP-UHFFFAOYSA-N 2 1 307.507 2.623 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564227 193269587 /nfs/dbraw/zinc/26/95/87/193269587.db2.gz IVVGOUUVWKPDSQ-INIZCTEOSA-N 2 1 318.509 2.995 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000093564227 193269588 /nfs/dbraw/zinc/26/95/88/193269588.db2.gz IVVGOUUVWKPDSQ-INIZCTEOSA-N 2 1 318.509 2.995 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895937 399126640 /nfs/dbraw/zinc/12/66/40/399126640.db2.gz WQYQEMGVJSXBHF-HUUCEWRRSA-N 2 1 322.474 2.746 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCCOC)cc2)C1 ZINC000093753005 193300194 /nfs/dbraw/zinc/30/01/94/193300194.db2.gz PVGIKGAXIQAVPB-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(OCCOC)cc2)C1 ZINC000093753005 193300196 /nfs/dbraw/zinc/30/01/96/193300196.db2.gz PVGIKGAXIQAVPB-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000093753005 193300198 /nfs/dbraw/zinc/30/01/98/193300198.db2.gz PVGIKGAXIQAVPB-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000093753005 193300200 /nfs/dbraw/zinc/30/02/00/193300200.db2.gz PVGIKGAXIQAVPB-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340305339 284171821 /nfs/dbraw/zinc/17/18/21/284171821.db2.gz HMJHAJCYDAFNSI-BBWFWOEESA-N 2 1 308.491 2.526 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340305339 284171823 /nfs/dbraw/zinc/17/18/23/284171823.db2.gz HMJHAJCYDAFNSI-BBWFWOEESA-N 2 1 308.491 2.526 20 0 DFADMP COCCOc1cccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093643918 193281311 /nfs/dbraw/zinc/28/13/11/193281311.db2.gz JCFVAKGYGXWGHB-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC000093643918 193281313 /nfs/dbraw/zinc/28/13/13/193281313.db2.gz JCFVAKGYGXWGHB-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000093643918 193281315 /nfs/dbraw/zinc/28/13/15/193281315.db2.gz JCFVAKGYGXWGHB-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1cccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000093643918 193281316 /nfs/dbraw/zinc/28/13/16/193281316.db2.gz JCFVAKGYGXWGHB-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000419744409 296147843 /nfs/dbraw/zinc/14/78/43/296147843.db2.gz ILSWSICRGVQEDY-NSHDSACASA-N 2 1 306.479 2.869 20 0 DFADMP C[N@@H+](CCOc1cccc(Br)c1)CC(C)(C)C[NH3+] ZINC000093874325 193322303 /nfs/dbraw/zinc/32/23/03/193322303.db2.gz MRKDNMIWEHSYMX-UHFFFAOYSA-N 2 1 315.255 2.745 20 0 DFADMP CCC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[NH+](C)C ZINC000094128089 193346350 /nfs/dbraw/zinc/34/63/50/193346350.db2.gz SRDMHNDOTQREEQ-SFHVURJKSA-N 2 1 319.493 2.873 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000340530696 284189522 /nfs/dbraw/zinc/18/95/22/284189522.db2.gz GDQIDPGKYVXMJO-OLMNPRSZSA-N 2 1 321.534 2.941 20 0 DFADMP CC(C)CSCCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000595907796 399130567 /nfs/dbraw/zinc/13/05/67/399130567.db2.gz YLYBSKKVKIXPHI-MRXNPFEDSA-N 2 1 302.528 2.808 20 0 DFADMP Cc1ccc(CCC[N@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000182272637 399143068 /nfs/dbraw/zinc/14/30/68/399143068.db2.gz PCPYRADDPNWKKN-UHFFFAOYSA-N 2 1 317.521 2.885 20 0 DFADMP CN(CC[N@@H+](C)CCCCC(F)(F)F)C1CC[NH+](C)CC1 ZINC000341121540 284240012 /nfs/dbraw/zinc/24/00/12/284240012.db2.gz DPBYRISQWKHTBY-UHFFFAOYSA-N 2 1 309.420 2.677 20 0 DFADMP [NH3+]C[C@H]1CC[C@@H](Nc2cc[nH+]c3ccc(Br)cc23)C1 ZINC000420265921 296167155 /nfs/dbraw/zinc/16/71/55/296167155.db2.gz FNERFUIWUHFJPV-CMPLNLGQSA-N 2 1 320.234 2.959 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@H]1[NH3+] ZINC000420271209 296167951 /nfs/dbraw/zinc/16/79/51/296167951.db2.gz HHCJDXINWZEWEU-BXKDBHETSA-N 2 1 306.207 2.781 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000420295357 296170402 /nfs/dbraw/zinc/17/04/02/296170402.db2.gz VHWOYCNRTCOQBR-OAHLLOKOSA-N 2 1 321.465 2.719 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000264951933 204298281 /nfs/dbraw/zinc/29/82/81/204298281.db2.gz BTFNUJPZDVXFHB-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)c(C)c1 ZINC000420300136 296171220 /nfs/dbraw/zinc/17/12/20/296171220.db2.gz HIKMMUPILFFNET-KRWDZBQOSA-N 2 1 317.477 2.872 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@H](COC)Cc1ccccc1 ZINC000420295217 296170719 /nfs/dbraw/zinc/17/07/19/296170719.db2.gz BXVFPVRQOIKKHT-MOPGFXCFSA-N 2 1 304.478 2.956 20 0 DFADMP COCC[N@@H+](CCCc1ccccc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420296408 296171032 /nfs/dbraw/zinc/17/10/32/296171032.db2.gz DMIWSVWATMJMKK-IBGZPJMESA-N 2 1 304.478 2.957 20 0 DFADMP C[C@H]1[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420299285 296171387 /nfs/dbraw/zinc/17/13/87/296171387.db2.gz IRJOCBSCDZRXSB-CZGNIMDHSA-N 2 1 324.468 2.795 20 0 DFADMP CCS[C@H]1CCCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299231 296171391 /nfs/dbraw/zinc/17/13/91/296171391.db2.gz ILGPRGVYSQOHBW-BZSNNMDCSA-N 2 1 322.518 2.525 20 0 DFADMP COC(=O)CCC[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420304598 296172112 /nfs/dbraw/zinc/17/21/12/296172112.db2.gz FDFLAYBHKWDVBG-QZTJIDSGSA-N 2 1 318.461 2.612 20 0 DFADMP CC(C)[C@H](CO)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420302970 296172151 /nfs/dbraw/zinc/17/21/51/296172151.db2.gz MVBLYMHYHJYWAA-MJGOQNOKSA-N 2 1 304.478 2.895 20 0 DFADMP COc1cc(CCC2CC[NH+](C[C@@H](C)[NH3+])CC2)cc(OC)c1 ZINC000420303530 296172214 /nfs/dbraw/zinc/17/22/14/296172214.db2.gz KNWVIUVFHXFLAE-CQSZACIVSA-N 2 1 306.450 2.696 20 0 DFADMP O=C(Nc1ccccc1)[C@@H]1CCC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000420303470 296172260 /nfs/dbraw/zinc/17/22/60/296172260.db2.gz KKDWCRAILGOYPE-DLBZAZTESA-N 2 1 315.461 2.727 20 0 DFADMP CC(C)(C)c1csc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)n1 ZINC000420308495 296173117 /nfs/dbraw/zinc/17/31/17/296173117.db2.gz SHRGJQHCHCINPY-ZIAGYGMSSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)(C)c1csc([C@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)n1 ZINC000420308495 296173118 /nfs/dbraw/zinc/17/31/18/296173118.db2.gz SHRGJQHCHCINPY-ZIAGYGMSSA-N 2 1 323.506 2.814 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)C[C@@H]21 ZINC000420313484 296173848 /nfs/dbraw/zinc/17/38/48/296173848.db2.gz UCEFFYLGBFHJGJ-PVXIVEMSSA-N 2 1 312.816 2.917 20 0 DFADMP C[C@H]1C[C@@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315115 296173852 /nfs/dbraw/zinc/17/38/52/296173852.db2.gz ZRLRVCVQJLECSW-CZGNIMDHSA-N 2 1 324.468 2.795 20 0 DFADMP CCOC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000420314807 296173857 /nfs/dbraw/zinc/17/38/57/296173857.db2.gz QVTVSEBKBOHBMK-MSOLQXFVSA-N 2 1 318.461 2.612 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3ccc(O)cc3C2)cc1 ZINC000420318358 296174574 /nfs/dbraw/zinc/17/45/74/296174574.db2.gz ONTWPZGBJCNVAP-KRWDZBQOSA-N 2 1 312.413 2.501 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cc(C)no2)cc1 ZINC000420319342 296174580 /nfs/dbraw/zinc/17/45/80/296174580.db2.gz PFZLKDKGPZZVNH-RDJZCZTQSA-N 2 1 315.417 2.871 20 0 DFADMP CC(C)[N@H+](Cc1ccccc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420317755 296174193 /nfs/dbraw/zinc/17/41/93/296174193.db2.gz NVZUCVHJAXRHQN-PMACEKPBSA-N 2 1 312.457 2.828 20 0 DFADMP c1ccc2c(c1)cccc2[C@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420320013 296174303 /nfs/dbraw/zinc/17/43/03/296174303.db2.gz PZUHRKRZSWKWMH-HXUWFJFHSA-N 2 1 309.457 2.882 20 0 DFADMP Fc1ccccc1CC[N@@H+](CCN1CC[NH2+]CC1)C1CCCC1 ZINC000420323368 296175217 /nfs/dbraw/zinc/17/52/17/296175217.db2.gz TUCYWSXJKLMBIE-UHFFFAOYSA-N 2 1 319.468 2.518 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420327689 296176266 /nfs/dbraw/zinc/17/62/66/296176266.db2.gz DNWLSXNEVMQGPP-MCIONIFRSA-N 2 1 321.852 2.598 20 0 DFADMP CSc1ccccc1NC(=O)C[N@@H+](C)CC[C@H]1CCC[NH2+]C1 ZINC000420325935 296175680 /nfs/dbraw/zinc/17/56/80/296175680.db2.gz WXIMWMSPGURGGA-CQSZACIVSA-N 2 1 321.490 2.669 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)cc1OC ZINC000420326217 296175767 /nfs/dbraw/zinc/17/57/67/296175767.db2.gz WYPPOQBJGTVFHH-HNNXBMFYSA-N 2 1 306.450 2.834 20 0 DFADMP COc1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@@H]2CCCO2)c1 ZINC000420328526 296176013 /nfs/dbraw/zinc/17/60/13/296176013.db2.gz ZUPCVOOWLVVSPU-APWZRJJASA-N 2 1 318.461 2.676 20 0 DFADMP COc1cc(Cl)ccc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420336178 296177206 /nfs/dbraw/zinc/17/72/06/296177206.db2.gz VNWNAXQREGEREH-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP COc1cc(Cl)ccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420336178 296177207 /nfs/dbraw/zinc/17/72/07/296177207.db2.gz VNWNAXQREGEREH-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP CCO[C@H](C)c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420338750 296177510 /nfs/dbraw/zinc/17/75/10/296177510.db2.gz NXBAQQZNQFEZPI-MCIONIFRSA-N 2 1 309.479 2.672 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420345002 296178098 /nfs/dbraw/zinc/17/80/98/296178098.db2.gz VNDLXYICJIOXAO-SJORKVTESA-N 2 1 318.461 2.786 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c(F)c1 ZINC000420346029 296178170 /nfs/dbraw/zinc/17/81/70/296178170.db2.gz XCBLAHNDOIKRQO-MRXNPFEDSA-N 2 1 319.424 2.537 20 0 DFADMP c1cc(-c2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)co1 ZINC000420342554 296177669 /nfs/dbraw/zinc/17/76/69/296177669.db2.gz RAFQKSLTWGQWAF-BETUJISGSA-N 2 1 303.431 2.835 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cc3ccccc3o2)CC1(C)C ZINC000282514228 217053402 /nfs/dbraw/zinc/05/34/02/217053402.db2.gz XSHSQNSVJMJSCF-UHFFFAOYSA-N 2 1 301.434 2.548 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420355877 296179131 /nfs/dbraw/zinc/17/91/31/296179131.db2.gz CQIIUVAVVTYLKK-KRWDZBQOSA-N 2 1 321.852 2.744 20 0 DFADMP c1ccc(CC[C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1 ZINC000420358003 296179726 /nfs/dbraw/zinc/17/97/26/296179726.db2.gz IOSWLZKBRRWWLP-LJQANCHMSA-N 2 1 302.462 2.710 20 0 DFADMP FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)n1 ZINC000420361873 296179888 /nfs/dbraw/zinc/17/98/88/296179888.db2.gz NREDVNGFPBMPLH-RYUDHWBXSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@H]2CCC[N@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000420361873 296179891 /nfs/dbraw/zinc/17/98/91/296179891.db2.gz NREDVNGFPBMPLH-RYUDHWBXSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@H]2CCC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)[nH]1 ZINC000420361873 296179892 /nfs/dbraw/zinc/17/98/92/296179892.db2.gz NREDVNGFPBMPLH-RYUDHWBXSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)n1 ZINC000420361874 296179980 /nfs/dbraw/zinc/17/99/80/296179980.db2.gz NREDVNGFPBMPLH-VXGBXAGGSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@@H]2CCC[N@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000420361874 296179981 /nfs/dbraw/zinc/17/99/81/296179981.db2.gz NREDVNGFPBMPLH-VXGBXAGGSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]1 ZINC000420361874 296179982 /nfs/dbraw/zinc/17/99/82/296179982.db2.gz NREDVNGFPBMPLH-VXGBXAGGSA-N 2 1 316.371 2.608 20 0 DFADMP Cc1nc(-c2cc3c(s2)CC[N@@H+](CCOCC[NH3+])C3)cs1 ZINC000420364893 296180729 /nfs/dbraw/zinc/18/07/29/296180729.db2.gz DFZLMVBBUZVHSI-UHFFFAOYSA-N 2 1 323.487 2.513 20 0 DFADMP c1ccc(CC[C@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1 ZINC000420364342 296180463 /nfs/dbraw/zinc/18/04/63/296180463.db2.gz QOIBFQRMLLSCBE-MOPGFXCFSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1CC[NH2+][C@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000420367223 296181267 /nfs/dbraw/zinc/18/12/67/296181267.db2.gz MVBCUTPROQGNQW-HSMVNMDESA-N 2 1 309.841 2.645 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCO1 ZINC000282569084 217096654 /nfs/dbraw/zinc/09/66/54/217096654.db2.gz VAEGTJZYEFBYNK-QGZVFWFLSA-N 2 1 318.461 2.640 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCO1 ZINC000282569084 217096656 /nfs/dbraw/zinc/09/66/56/217096656.db2.gz VAEGTJZYEFBYNK-QGZVFWFLSA-N 2 1 318.461 2.640 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H](C[NH3+])C(C)(C)C ZINC000420367462 296180989 /nfs/dbraw/zinc/18/09/89/296180989.db2.gz SGYCLOSMRNLAKS-AWEZNQCLSA-N 2 1 309.479 2.700 20 0 DFADMP O=C(CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420367390 296181097 /nfs/dbraw/zinc/18/10/97/296181097.db2.gz KAZKSUSWILBDHL-QGZVFWFLSA-N 2 1 321.852 2.744 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420372322 296181887 /nfs/dbraw/zinc/18/18/87/296181887.db2.gz FCQXDBCJFNOWHD-DLBZAZTESA-N 2 1 317.412 2.664 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000420375763 296182846 /nfs/dbraw/zinc/18/28/46/296182846.db2.gz UJVSAOKNWUEXHO-KRWDZBQOSA-N 2 1 321.440 2.960 20 0 DFADMP CC[C@H]1C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420377919 296183073 /nfs/dbraw/zinc/18/30/73/296183073.db2.gz SVYQAZSRICWKGP-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420378068 296183253 /nfs/dbraw/zinc/18/32/53/296183253.db2.gz BBWLAKZYJNYAMB-NVXWUHKLSA-N 2 1 312.461 2.580 20 0 DFADMP Fc1ccc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420382139 296183435 /nfs/dbraw/zinc/18/34/35/296183435.db2.gz YKBVQIPNIPGFAZ-WBMJQRKESA-N 2 1 312.816 2.852 20 0 DFADMP Fc1ccc([C@@H]2C[N@@H+](CC[C@H]3CC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420382139 296183436 /nfs/dbraw/zinc/18/34/36/296183436.db2.gz YKBVQIPNIPGFAZ-WBMJQRKESA-N 2 1 312.816 2.852 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCc2ccccc2[C@H]1Cc1ccccc1 ZINC000420380471 296183623 /nfs/dbraw/zinc/18/36/23/296183623.db2.gz WTVSOYFUEHFFRK-HXUWFJFHSA-N 2 1 310.441 2.804 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387765 296184562 /nfs/dbraw/zinc/18/45/62/296184562.db2.gz GNMYUXHSWXWYEV-YOEHRIQHSA-N 2 1 319.424 2.618 20 0 DFADMP C[C@H]1CC(CC[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C[C@H](C)C1 ZINC000420389765 296184924 /nfs/dbraw/zinc/18/49/24/296184924.db2.gz YSXZDCUOAZCTGM-IIDMSEBBSA-N 2 1 319.497 2.836 20 0 DFADMP C[C@@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420390207 296184990 /nfs/dbraw/zinc/18/49/90/296184990.db2.gz ZAOMAEIKROKTKP-GXTWGEPZSA-N 2 1 319.840 2.788 20 0 DFADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420397149 296185627 /nfs/dbraw/zinc/18/56/27/296185627.db2.gz MOUGCYZIAZKKRY-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000420399415 296186162 /nfs/dbraw/zinc/18/61/62/296186162.db2.gz HRIHHAXWMBVNKL-VNQPRFMTSA-N 2 1 303.450 2.547 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1C ZINC000420399415 296186163 /nfs/dbraw/zinc/18/61/63/296186163.db2.gz HRIHHAXWMBVNKL-VNQPRFMTSA-N 2 1 303.450 2.547 20 0 DFADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420397149 296185626 /nfs/dbraw/zinc/18/56/26/296185626.db2.gz MOUGCYZIAZKKRY-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)ccc2o1 ZINC000420422751 296188295 /nfs/dbraw/zinc/18/82/95/296188295.db2.gz ZNMVRQCPMJDQPX-DOMZBBRYSA-N 2 1 316.401 2.636 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC[N@H+]1C ZINC000614254016 399189789 /nfs/dbraw/zinc/18/97/89/399189789.db2.gz CBKPGNZKKVJCDC-UKRRQHHQSA-N 2 1 310.401 2.526 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)s2)cn1 ZINC000282802936 217260868 /nfs/dbraw/zinc/26/08/68/217260868.db2.gz NIQYCOMSBSIDKH-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@H](C[NH+](C)C)C3)s2)cn1 ZINC000282802936 217260870 /nfs/dbraw/zinc/26/08/70/217260870.db2.gz NIQYCOMSBSIDKH-ZDUSSCGKSA-N 2 1 304.463 2.532 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000063582712 399195816 /nfs/dbraw/zinc/19/58/16/399195816.db2.gz OMTCCKXRMMHASB-UHFFFAOYSA-N 2 1 317.477 2.994 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000600992679 399198013 /nfs/dbraw/zinc/19/80/13/399198013.db2.gz ZNQBQJXMKWZGSP-GOSISDBHSA-N 2 1 315.461 2.748 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000600992679 399198020 /nfs/dbraw/zinc/19/80/20/399198020.db2.gz ZNQBQJXMKWZGSP-GOSISDBHSA-N 2 1 315.461 2.748 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000600996885 399198844 /nfs/dbraw/zinc/19/88/44/399198844.db2.gz LZQPHEFACQVGIN-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282985522 217372306 /nfs/dbraw/zinc/37/23/06/217372306.db2.gz FAYHNGQEHYJLQL-WDSOQIARSA-N 2 1 315.505 2.794 20 0 DFADMP C[N@H+]1CCC[C@H]1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000614353952 399216185 /nfs/dbraw/zinc/21/61/85/399216185.db2.gz RFDUEGYWLLWRRV-KRWDZBQOSA-N 2 1 324.428 2.919 20 0 DFADMP CN1CCC[C@H]1C(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000614353952 399216187 /nfs/dbraw/zinc/21/61/87/399216187.db2.gz RFDUEGYWLLWRRV-KRWDZBQOSA-N 2 1 324.428 2.919 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000342727739 284395815 /nfs/dbraw/zinc/39/58/15/284395815.db2.gz IAHGFIPXXQAUCQ-FUHWJXTLSA-N 2 1 320.477 2.973 20 0 DFADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000420920250 296212133 /nfs/dbraw/zinc/21/21/33/296212133.db2.gz ARKOFMIDELTFSM-OAGGEKHMSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000420920250 296212134 /nfs/dbraw/zinc/21/21/34/296212134.db2.gz ARKOFMIDELTFSM-OAGGEKHMSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000420920250 296212135 /nfs/dbraw/zinc/21/21/35/296212135.db2.gz ARKOFMIDELTFSM-OAGGEKHMSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000420920252 296212330 /nfs/dbraw/zinc/21/23/30/296212330.db2.gz ARKOFMIDELTFSM-PMPSAXMXSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000420920252 296212331 /nfs/dbraw/zinc/21/23/31/296212331.db2.gz ARKOFMIDELTFSM-PMPSAXMXSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000420920252 296212332 /nfs/dbraw/zinc/21/23/32/296212332.db2.gz ARKOFMIDELTFSM-PMPSAXMXSA-N 2 1 310.482 2.913 20 0 DFADMP O[C@H]1C[C@@H](C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000420945216 296216140 /nfs/dbraw/zinc/21/61/40/296216140.db2.gz YQKNZYMJJLGZTK-ZRNYENFQSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000420945216 296216141 /nfs/dbraw/zinc/21/61/41/296216141.db2.gz YQKNZYMJJLGZTK-ZRNYENFQSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000420945216 296216142 /nfs/dbraw/zinc/21/61/42/296216142.db2.gz YQKNZYMJJLGZTK-ZRNYENFQSA-N 2 1 314.473 2.744 20 0 DFADMP CO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000420960423 296218037 /nfs/dbraw/zinc/21/80/37/296218037.db2.gz HSGRTYYVPFFUGJ-APWZRJJASA-N 2 1 318.461 2.518 20 0 DFADMP CO[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000420960423 296218039 /nfs/dbraw/zinc/21/80/39/296218039.db2.gz HSGRTYYVPFFUGJ-APWZRJJASA-N 2 1 318.461 2.518 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C3CCCC3)C2)CC1 ZINC000420960574 296218187 /nfs/dbraw/zinc/21/81/87/296218187.db2.gz GVBAMZMQVNHLNB-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP CO[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000420960426 296218278 /nfs/dbraw/zinc/21/82/78/296218278.db2.gz HSGRTYYVPFFUGJ-VQIMIIECSA-N 2 1 318.461 2.518 20 0 DFADMP CO[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@H](C)C1 ZINC000420960426 296218279 /nfs/dbraw/zinc/21/82/79/296218279.db2.gz HSGRTYYVPFFUGJ-VQIMIIECSA-N 2 1 318.461 2.518 20 0 DFADMP CCC[C@@]1([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCOC1 ZINC000420966646 296218888 /nfs/dbraw/zinc/21/88/88/296218888.db2.gz RBYLFUVGESVOCI-LJQANCHMSA-N 2 1 318.461 2.568 20 0 DFADMP CC1=C[C@@H](C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420966502 296218948 /nfs/dbraw/zinc/21/89/48/296218948.db2.gz QYQOMHSFEYPVSQ-MRXNPFEDSA-N 2 1 300.446 2.917 20 0 DFADMP CC1=C[C@@H](C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420966502 296218950 /nfs/dbraw/zinc/21/89/50/296218950.db2.gz QYQOMHSFEYPVSQ-MRXNPFEDSA-N 2 1 300.446 2.917 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000622365542 399249613 /nfs/dbraw/zinc/24/96/13/399249613.db2.gz YCAZPESGWHNIGB-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000622365542 399249617 /nfs/dbraw/zinc/24/96/17/399249617.db2.gz YCAZPESGWHNIGB-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(Br)cn1 ZINC000343194342 284491891 /nfs/dbraw/zinc/49/18/91/284491891.db2.gz WNSBXZJXIARZJK-NSHDSACASA-N 2 1 323.238 2.775 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000622408569 399252033 /nfs/dbraw/zinc/25/20/33/399252033.db2.gz CPNQDGUCZMRFCF-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000622408569 399252036 /nfs/dbraw/zinc/25/20/36/399252036.db2.gz CPNQDGUCZMRFCF-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000622408569 399252039 /nfs/dbraw/zinc/25/20/39/399252039.db2.gz CPNQDGUCZMRFCF-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421027271 296227967 /nfs/dbraw/zinc/22/79/67/296227967.db2.gz SWHXVEYWIAKRQE-GOEBONIOSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C1 ZINC000421027271 296227968 /nfs/dbraw/zinc/22/79/68/296227968.db2.gz SWHXVEYWIAKRQE-GOEBONIOSA-N 2 1 321.465 2.881 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031036 296228705 /nfs/dbraw/zinc/22/87/05/296228705.db2.gz ZKHDYQHQSUJTIJ-ZWKOTPCHSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031036 296228707 /nfs/dbraw/zinc/22/87/07/296228707.db2.gz ZKHDYQHQSUJTIJ-ZWKOTPCHSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031036 296228708 /nfs/dbraw/zinc/22/87/08/296228708.db2.gz ZKHDYQHQSUJTIJ-ZWKOTPCHSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031036 296228710 /nfs/dbraw/zinc/22/87/10/296228710.db2.gz ZKHDYQHQSUJTIJ-ZWKOTPCHSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031034 296228735 /nfs/dbraw/zinc/22/87/35/296228735.db2.gz ZKHDYQHQSUJTIJ-QZTJIDSGSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031034 296228737 /nfs/dbraw/zinc/22/87/37/296228737.db2.gz ZKHDYQHQSUJTIJ-QZTJIDSGSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031034 296228738 /nfs/dbraw/zinc/22/87/38/296228738.db2.gz ZKHDYQHQSUJTIJ-QZTJIDSGSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031034 296228740 /nfs/dbraw/zinc/22/87/40/296228740.db2.gz ZKHDYQHQSUJTIJ-QZTJIDSGSA-N 2 1 302.462 2.710 20 0 DFADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000622555320 399259431 /nfs/dbraw/zinc/25/94/31/399259431.db2.gz SRWGTHQATIQKNE-MSOLQXFVSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000622555320 399259433 /nfs/dbraw/zinc/25/94/33/399259433.db2.gz SRWGTHQATIQKNE-MSOLQXFVSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000622555320 399259436 /nfs/dbraw/zinc/25/94/36/399259436.db2.gz SRWGTHQATIQKNE-MSOLQXFVSA-N 2 1 321.509 2.582 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325646 399277991 /nfs/dbraw/zinc/27/79/91/399277991.db2.gz DYHMFIOHYDSXRY-NWDGAFQWSA-N 2 1 318.442 2.715 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000601325646 399277993 /nfs/dbraw/zinc/27/79/93/399277993.db2.gz DYHMFIOHYDSXRY-NWDGAFQWSA-N 2 1 318.442 2.715 20 0 DFADMP OC1(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCC1 ZINC000421369829 296249342 /nfs/dbraw/zinc/24/93/42/296249342.db2.gz HYKKEMDTROMLNJ-UHFFFAOYSA-N 2 1 302.462 2.936 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cnc(-c2cccs2)s1 ZINC000623086439 399324091 /nfs/dbraw/zinc/32/40/91/399324091.db2.gz RCJHNQLVNAAXML-UHFFFAOYSA-N 2 1 304.444 2.937 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000623086302 399324241 /nfs/dbraw/zinc/32/42/41/399324241.db2.gz IUKBNCOVVQWMQS-UHFFFAOYSA-N 2 1 313.323 2.694 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000360960082 284686284 /nfs/dbraw/zinc/68/62/84/284686284.db2.gz YQPSHBYGSCVHLX-RYRKJORJSA-N 2 1 323.525 2.924 20 0 DFADMP Cc1ccc2c(C)cc(N3CCC([N@H+](C)CCO)CC3)[nH+]c2c1 ZINC000274051629 211309403 /nfs/dbraw/zinc/30/94/03/211309403.db2.gz LIALALXYHJGEBC-UHFFFAOYSA-N 2 1 313.445 2.745 20 0 DFADMP Cc1ccc2c(C)cc(N3CCC([N@@H+](C)CCO)CC3)[nH+]c2c1 ZINC000274051629 211309405 /nfs/dbraw/zinc/30/94/05/211309405.db2.gz LIALALXYHJGEBC-UHFFFAOYSA-N 2 1 313.445 2.745 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(C)c2)[C@H](C)C1 ZINC000421879455 296278509 /nfs/dbraw/zinc/27/85/09/296278509.db2.gz NEWDAWXDVLQENE-DNVCBOLYSA-N 2 1 319.493 2.925 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000284411276 218017026 /nfs/dbraw/zinc/01/70/26/218017026.db2.gz QHMWUZNDQHBKDK-MSOLQXFVSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]([NH2+]CCC1(O)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284410766 218017280 /nfs/dbraw/zinc/01/72/80/218017280.db2.gz QLDQZMURVOMSOZ-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ncc([C@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1Cl ZINC000284533167 218068333 /nfs/dbraw/zinc/06/83/33/218068333.db2.gz XESNFRHUMCYBPC-NSHDSACASA-N 2 1 308.813 2.989 20 0 DFADMP c1[nH]nc2c1CN([C@@H]1CC[N@H+](Cc3ccccc3)C3(CC3)C1)CC2 ZINC000623244025 399345297 /nfs/dbraw/zinc/34/52/97/399345297.db2.gz XJOAOTKXDUJXOT-GOSISDBHSA-N 2 1 322.456 2.965 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271885114 209296094 /nfs/dbraw/zinc/29/60/94/209296094.db2.gz QJXFRSJXWUIGTA-HNNXBMFYSA-N 2 1 301.434 2.564 20 0 DFADMP O=C(CC[NH+]1CCC([NH+]2CCCC2)CC1)Nc1ccc(F)cc1 ZINC000051953303 425883838 /nfs/dbraw/zinc/88/38/38/425883838.db2.gz BBBLBPARJLUEDN-UHFFFAOYSA-N 2 1 319.424 2.715 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000623344213 399367089 /nfs/dbraw/zinc/36/70/89/399367089.db2.gz ABYFRKZXEWWVLF-UKRRQHHQSA-N 2 1 324.490 2.614 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000623344213 399367093 /nfs/dbraw/zinc/36/70/93/399367093.db2.gz ABYFRKZXEWWVLF-UKRRQHHQSA-N 2 1 324.490 2.614 20 0 DFADMP CCc1cc(N2CC[C@H]3OCC[N@@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000285031128 218263414 /nfs/dbraw/zinc/26/34/14/218263414.db2.gz NJSCYSDMMWWTOA-RBUKOAKNSA-N 2 1 311.429 2.707 20 0 DFADMP CC(C)[C@@H](N[C@H]1CC[N@@H+](C)C(C)(C)C1)c1nnc2ccccn21 ZINC000623395493 399378862 /nfs/dbraw/zinc/37/88/62/399378862.db2.gz NTSWJQUCLOLPHU-GOEBONIOSA-N 2 1 315.465 2.889 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3c(O)cccc32)CCCO1 ZINC000285154479 218311387 /nfs/dbraw/zinc/31/13/87/218311387.db2.gz MJRQNIMVDFBCBR-MAUKXSAKSA-N 2 1 318.461 2.860 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421717 399385960 /nfs/dbraw/zinc/38/59/60/399385960.db2.gz XLCIKELKUYKJRR-HZPDHXFCSA-N 2 1 315.461 2.534 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](Cc2ccccc2C)CC1 ZINC000285357127 218395074 /nfs/dbraw/zinc/39/50/74/218395074.db2.gz BENDMDFPMBWNKX-UHFFFAOYSA-N 2 1 320.477 2.554 20 0 DFADMP COC[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268815025 206979027 /nfs/dbraw/zinc/97/90/27/206979027.db2.gz PJRDVDAIDVWQPI-HNNXBMFYSA-N 2 1 308.441 2.705 20 0 DFADMP CC[N@H+](CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000268834541 207001652 /nfs/dbraw/zinc/00/16/52/207001652.db2.gz LFFURGWXHCPPQZ-INIZCTEOSA-N 2 1 319.493 2.762 20 0 DFADMP CC[N@@H+](CCN[C@@H](C)c1ccc(OCC[NH+](C)C)cc1)C1CC1 ZINC000268834541 207001655 /nfs/dbraw/zinc/00/16/55/207001655.db2.gz LFFURGWXHCPPQZ-INIZCTEOSA-N 2 1 319.493 2.762 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC12CCOCC2 ZINC000422557627 296312014 /nfs/dbraw/zinc/31/20/14/296312014.db2.gz WTRIOMVRUDYPJI-SFHVURJKSA-N 2 1 300.446 2.751 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccccc2)CC1 ZINC000268838711 207004260 /nfs/dbraw/zinc/00/42/60/207004260.db2.gz BVPRTFTZNXWPHB-VQTJNVASSA-N 2 1 315.505 2.940 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCc2ccc3c(c2)CCO3)C[C@H]1C[NH3+] ZINC000422560989 296312795 /nfs/dbraw/zinc/31/27/95/296312795.db2.gz IIFVOGOPFNIHRP-IIDMSEBBSA-N 2 1 302.462 2.859 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C[C@H]1C[NH3+] ZINC000422561087 296312818 /nfs/dbraw/zinc/31/28/18/296312818.db2.gz IXNYSPOGQMSZLY-IJEWVQPXSA-N 2 1 316.424 2.817 20 0 DFADMP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268871052 207039652 /nfs/dbraw/zinc/03/96/52/207039652.db2.gz VCHXDIFEKXIUQB-SFHVURJKSA-N 2 1 318.461 2.645 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCOCC3CC3)CC2)cc1 ZINC000268870976 207040102 /nfs/dbraw/zinc/04/01/02/207040102.db2.gz GEFWLGOYWOBQKL-UHFFFAOYSA-N 2 1 302.462 2.710 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268901176 207068981 /nfs/dbraw/zinc/06/89/81/207068981.db2.gz UNBKSCSTAHHRMH-DOTOQJQBSA-N 2 1 312.461 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000268901176 207068986 /nfs/dbraw/zinc/06/89/86/207068986.db2.gz UNBKSCSTAHHRMH-DOTOQJQBSA-N 2 1 312.461 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268901176 207068991 /nfs/dbraw/zinc/06/89/91/207068991.db2.gz UNBKSCSTAHHRMH-DOTOQJQBSA-N 2 1 312.461 2.532 20 0 DFADMP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@H]3C)nc21 ZINC000268916851 207083445 /nfs/dbraw/zinc/08/34/45/207083445.db2.gz JEAFCGQNSAVOQN-RBSFLKMASA-N 2 1 301.434 2.997 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccc(F)cc1)N(C)C)c1c[nH+]ccc1N ZINC000422705919 296319079 /nfs/dbraw/zinc/31/90/79/296319079.db2.gz DALJQRSKXQFBAY-YVEFUNNKSA-N 2 1 302.397 2.587 20 0 DFADMP C[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422703004 296318550 /nfs/dbraw/zinc/31/85/50/296318550.db2.gz MBKUKWORVDMOFE-QFBILLFUSA-N 2 1 315.505 2.944 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(N3CCCC3=O)cc2)CC1 ZINC000159314875 197344796 /nfs/dbraw/zinc/34/47/96/197344796.db2.gz FFILNVSXNCKLBC-OAHLLOKOSA-N 2 1 315.461 2.948 20 0 DFADMP CCCC[N@@H+](C)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709630 296319640 /nfs/dbraw/zinc/31/96/40/296319640.db2.gz KXPJNCXIZFLZNL-IEBWSBKVSA-N 2 1 317.477 2.564 20 0 DFADMP CCCCN(C)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422709630 296319641 /nfs/dbraw/zinc/31/96/41/296319641.db2.gz KXPJNCXIZFLZNL-IEBWSBKVSA-N 2 1 317.477 2.564 20 0 DFADMP CC(C)(CN[C@@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422709962 296319777 /nfs/dbraw/zinc/31/97/77/296319777.db2.gz ZZWWFQKFKNOPRR-FUHWJXTLSA-N 2 1 301.478 2.540 20 0 DFADMP CC(C)(CN[C@@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422709962 296319778 /nfs/dbraw/zinc/31/97/78/296319778.db2.gz ZZWWFQKFKNOPRR-FUHWJXTLSA-N 2 1 301.478 2.540 20 0 DFADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4nsnc43)CC[C@H]21 ZINC000268946442 207108815 /nfs/dbraw/zinc/10/88/15/207108815.db2.gz BHKACUJZQOHLMN-SWLSCSKDSA-N 2 1 302.447 2.607 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4nsnc43)CC[C@H]21 ZINC000268946442 207108819 /nfs/dbraw/zinc/10/88/19/207108819.db2.gz BHKACUJZQOHLMN-SWLSCSKDSA-N 2 1 302.447 2.607 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4nsnc43)CC[C@H]21 ZINC000268946442 207108823 /nfs/dbraw/zinc/10/88/23/207108823.db2.gz BHKACUJZQOHLMN-SWLSCSKDSA-N 2 1 302.447 2.607 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4nsnc43)CC[C@H]21 ZINC000268946442 207108827 /nfs/dbraw/zinc/10/88/27/207108827.db2.gz BHKACUJZQOHLMN-SWLSCSKDSA-N 2 1 302.447 2.607 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422715276 296320667 /nfs/dbraw/zinc/32/06/67/296320667.db2.gz RXSLKUXNCBCJIY-SNRMKQJTSA-N 2 1 317.477 2.784 20 0 DFADMP C[N@H+]1C[C@@H](CN[C@@H]2CC[NH+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557584 399415613 /nfs/dbraw/zinc/41/56/13/399415613.db2.gz BFURHOLEIOMOJK-QRVBRYPASA-N 2 1 315.505 2.794 20 0 DFADMP C[NH+]1C[C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557584 399415616 /nfs/dbraw/zinc/41/56/16/399415616.db2.gz BFURHOLEIOMOJK-QRVBRYPASA-N 2 1 315.505 2.794 20 0 DFADMP C[NH+]1C[C@@H](CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)[C@H](c2ccccc2)C1 ZINC000623557584 399415617 /nfs/dbraw/zinc/41/56/17/399415617.db2.gz BFURHOLEIOMOJK-QRVBRYPASA-N 2 1 315.505 2.794 20 0 DFADMP CC(C)(C)[C@H](C[N@H+]1CCc2ccccc2C1)NC1CC[NH2+]CC1 ZINC000422725521 296322260 /nfs/dbraw/zinc/32/22/60/296322260.db2.gz BOYIFOLBBMXPDC-IBGZPJMESA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)(C)[C@H](CN1CCc2ccccc2C1)[NH2+]C1CC[NH2+]CC1 ZINC000422725521 296322261 /nfs/dbraw/zinc/32/22/61/296322261.db2.gz BOYIFOLBBMXPDC-IBGZPJMESA-N 2 1 315.505 2.801 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000268986474 207145116 /nfs/dbraw/zinc/14/51/16/207145116.db2.gz QGHLWNVGJIOHPQ-DYVFJYSZSA-N 2 1 317.458 2.699 20 0 DFADMP CS[C@@H]1CCCC[N@@H+](C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000610990457 399425207 /nfs/dbraw/zinc/42/52/07/399425207.db2.gz PBFUELYTWCWPPF-QZTJIDSGSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@@H]1CCCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000610990457 399425208 /nfs/dbraw/zinc/42/52/08/399425208.db2.gz PBFUELYTWCWPPF-QZTJIDSGSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@@H]1CCCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000610990457 399425213 /nfs/dbraw/zinc/42/52/13/399425213.db2.gz PBFUELYTWCWPPF-QZTJIDSGSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@@H]1CCCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000610990457 399425216 /nfs/dbraw/zinc/42/52/16/399425216.db2.gz PBFUELYTWCWPPF-QZTJIDSGSA-N 2 1 322.518 2.697 20 0 DFADMP CS[C@@H]1CCCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000610990457 399425220 /nfs/dbraw/zinc/42/52/20/399425220.db2.gz PBFUELYTWCWPPF-QZTJIDSGSA-N 2 1 322.518 2.697 20 0 DFADMP C[C@@H](CC[NH+](C)C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012516 207164729 /nfs/dbraw/zinc/16/47/29/207164729.db2.gz NTUHRLLWBFDWLS-HOTGVXAUSA-N 2 1 307.482 2.618 20 0 DFADMP C[C@@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012516 207164734 /nfs/dbraw/zinc/16/47/34/207164734.db2.gz NTUHRLLWBFDWLS-HOTGVXAUSA-N 2 1 307.482 2.618 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000623656600 399436290 /nfs/dbraw/zinc/43/62/90/399436290.db2.gz YDOZXKZYKWNOSN-KRWDZBQOSA-N 2 1 302.466 2.503 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(N3CCCC3)nc2)C1 ZINC000623656600 399436291 /nfs/dbraw/zinc/43/62/91/399436291.db2.gz YDOZXKZYKWNOSN-KRWDZBQOSA-N 2 1 302.466 2.503 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[N@H+](C)C1)O[C@H](C)C2 ZINC000623655260 399435544 /nfs/dbraw/zinc/43/55/44/399435544.db2.gz SRHYKFKAJXLWIF-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1)O[C@H](C)C2 ZINC000623655260 399435547 /nfs/dbraw/zinc/43/55/47/399435547.db2.gz SRHYKFKAJXLWIF-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623656060 399437101 /nfs/dbraw/zinc/43/71/01/399437101.db2.gz MAHBPNFRVYHDEI-OAHLLOKOSA-N 2 1 306.450 2.834 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cn1 ZINC000623657705 399438146 /nfs/dbraw/zinc/43/81/46/399438146.db2.gz XAMZLUPNMTZUIH-QGZVFWFLSA-N 2 1 304.482 2.748 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cn1 ZINC000623657705 399438148 /nfs/dbraw/zinc/43/81/48/399438148.db2.gz XAMZLUPNMTZUIH-QGZVFWFLSA-N 2 1 304.482 2.748 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000623733397 399453229 /nfs/dbraw/zinc/45/32/29/399453229.db2.gz LDFCBJQUYJOXDY-LISAXSMJSA-N 2 1 318.465 2.510 20 0 DFADMP COC(=O)CC[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000611194688 399444690 /nfs/dbraw/zinc/44/46/90/399444690.db2.gz YWGXOLOQFFBEAI-UHFFFAOYSA-N 2 1 315.417 2.647 20 0 DFADMP COC(=O)CC[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000611194688 399444691 /nfs/dbraw/zinc/44/46/91/399444691.db2.gz YWGXOLOQFFBEAI-UHFFFAOYSA-N 2 1 315.417 2.647 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)[nH]1 ZINC000602502235 399462025 /nfs/dbraw/zinc/46/20/25/399462025.db2.gz KLDYAKYAKDRNBO-CQSZACIVSA-N 2 1 307.438 2.546 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)[nH]1 ZINC000602502235 399462030 /nfs/dbraw/zinc/46/20/30/399462030.db2.gz KLDYAKYAKDRNBO-CQSZACIVSA-N 2 1 307.438 2.546 20 0 DFADMP COc1ccc([C@H](NC[C@H](C)[N@@H+](C)C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422732686 296323556 /nfs/dbraw/zinc/32/35/56/296323556.db2.gz AGZUIQWGJOUJIN-JVPBZIDWSA-N 2 1 317.477 2.561 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])[C@@H](C)C2)cc1)C(C)C ZINC000269212777 207332323 /nfs/dbraw/zinc/33/23/23/207332323.db2.gz OLIVTSSQNWVRHF-YJBOKZPZSA-N 2 1 317.477 2.726 20 0 DFADMP C[C@H](NCc1cccc(C[NH+]2CCC(C)CC2)c1)C1C[NH2+]C1 ZINC000422737870 296324148 /nfs/dbraw/zinc/32/41/48/296324148.db2.gz IRVRHALBNNGKGC-INIZCTEOSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422738251 296324201 /nfs/dbraw/zinc/32/42/01/296324201.db2.gz JHQXRVVPMJVKCY-IPMKNSEASA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000422738251 296324202 /nfs/dbraw/zinc/32/42/02/296324202.db2.gz JHQXRVVPMJVKCY-IPMKNSEASA-N 2 1 301.478 2.901 20 0 DFADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000422745766 296325199 /nfs/dbraw/zinc/32/51/99/296325199.db2.gz MUXNZJWGTGYJRS-SZVBFZGTSA-N 2 1 301.478 2.929 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000422748924 296325646 /nfs/dbraw/zinc/32/56/46/296325646.db2.gz WTJRSZIWIMTEJO-SUMWQHHRSA-N 2 1 309.885 2.920 20 0 DFADMP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[NH2+]CC1)N1CCCC1 ZINC000422748640 296325667 /nfs/dbraw/zinc/32/56/67/296325667.db2.gz VMAIWVSRSYHCTR-WMZOPIPTSA-N 2 1 317.477 2.564 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)cc1C ZINC000602575919 399480152 /nfs/dbraw/zinc/48/01/52/399480152.db2.gz YRBLSMWJXSQWNO-OAHLLOKOSA-N 2 1 321.465 2.567 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cc1C ZINC000602575919 399480157 /nfs/dbraw/zinc/48/01/57/399480157.db2.gz YRBLSMWJXSQWNO-OAHLLOKOSA-N 2 1 321.465 2.567 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422763596 296328934 /nfs/dbraw/zinc/32/89/34/296328934.db2.gz OXGSGQQCDFGPEZ-CEWLAPEOSA-N 2 1 324.468 2.921 20 0 DFADMP COC[C@H]([NH2+]C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000422760583 296328380 /nfs/dbraw/zinc/32/83/80/296328380.db2.gz MAIGVYJICDVQGN-AWEZNQCLSA-N 2 1 302.340 2.735 20 0 DFADMP COc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422764195 296329139 /nfs/dbraw/zinc/32/91/39/296329139.db2.gz UWFDYSJMYDWVRX-MPGHIAIKSA-N 2 1 305.466 2.548 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422769676 296329886 /nfs/dbraw/zinc/32/98/86/296329886.db2.gz VZZTUVLKLGUIAH-UWWQBHOKSA-N 2 1 305.441 2.915 20 0 DFADMP COc1ccc([C@H](CN[C@@H](C)C[C@@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000422769177 296330029 /nfs/dbraw/zinc/33/00/29/296330029.db2.gz UTEZNCGNAQIHTL-GJYPPUQNSA-N 2 1 319.493 2.938 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422769674 296330036 /nfs/dbraw/zinc/33/00/36/296330036.db2.gz VZZTUVLKLGUIAH-QGPMSJSTSA-N 2 1 305.441 2.915 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422778410 296331374 /nfs/dbraw/zinc/33/13/74/296331374.db2.gz HKLICRUAPYSASD-KZNAEPCWSA-N 3 1 304.482 2.872 20 0 DFADMP C[C@H](NCc1ccccc1C[NH+]1CCCCC1)[C@@H]1CC[NH2+]C1 ZINC000422788413 296332998 /nfs/dbraw/zinc/33/29/98/296332998.db2.gz NKBRBBDWKJHRAF-DLBZAZTESA-N 2 1 301.478 2.760 20 0 DFADMP COC(=O)[C@H](C1CC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611660021 399502681 /nfs/dbraw/zinc/50/26/81/399502681.db2.gz ISRUFBBDACOZMF-KRWDZBQOSA-N 2 1 308.466 2.526 20 0 DFADMP CC[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422801465 296335671 /nfs/dbraw/zinc/33/56/71/296335671.db2.gz BZKJSABIYSSHRS-AYOQOUSVSA-N 2 1 301.478 2.553 20 0 DFADMP CC[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422804611 296336110 /nfs/dbraw/zinc/33/61/10/296336110.db2.gz HTHJFFILEWENJB-OALUTQOASA-N 2 1 301.478 2.555 20 0 DFADMP C[C@@H](NCc1ccc(C[NH+]2CCC(C)CC2)cc1)C1C[NH2+]C1 ZINC000422810990 296337153 /nfs/dbraw/zinc/33/71/53/296337153.db2.gz VCWKRXCNWNXUBQ-MRXNPFEDSA-N 2 1 301.478 2.616 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422811094 296337157 /nfs/dbraw/zinc/33/71/57/296337157.db2.gz TZLNCYDFXTYYJU-GBESFXJTSA-N 2 1 301.478 2.759 20 0 DFADMP CC[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+]1CCc2ccccc2C1 ZINC000422812229 296337610 /nfs/dbraw/zinc/33/76/10/296337610.db2.gz VWYKOTLKZNRWRK-XNMUZJSGSA-N 2 1 313.489 2.696 20 0 DFADMP CC[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)N1CCc2ccccc2C1 ZINC000422812229 296337611 /nfs/dbraw/zinc/33/76/11/296337611.db2.gz VWYKOTLKZNRWRK-XNMUZJSGSA-N 2 1 313.489 2.696 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)cc1F ZINC000422819781 296339020 /nfs/dbraw/zinc/33/90/20/296339020.db2.gz OBNZWMXSUWPBDL-SUMWQHHRSA-N 2 1 320.383 2.892 20 0 DFADMP C[C@H](CCN[C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818515 296339118 /nfs/dbraw/zinc/33/91/18/296339118.db2.gz GOMMXGSQLLFNDW-ZHALLVOQSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000422818515 296339120 /nfs/dbraw/zinc/33/91/20/296339120.db2.gz GOMMXGSQLLFNDW-ZHALLVOQSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000422818515 296339121 /nfs/dbraw/zinc/33/91/21/296339121.db2.gz GOMMXGSQLLFNDW-ZHALLVOQSA-N 3 1 303.494 2.875 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843148 399506639 /nfs/dbraw/zinc/50/66/39/399506639.db2.gz JUKDXQJGFQVEIS-PMPSAXMXSA-N 2 1 317.477 2.972 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631843148 399506643 /nfs/dbraw/zinc/50/66/43/399506643.db2.gz JUKDXQJGFQVEIS-PMPSAXMXSA-N 2 1 317.477 2.972 20 0 DFADMP CCC[N@@H+](CC)CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823573 296339642 /nfs/dbraw/zinc/33/96/42/296339642.db2.gz LUAMPNVPYLCLBX-IEBWSBKVSA-N 2 1 317.477 2.564 20 0 DFADMP CCCN(CC)CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422823573 296339644 /nfs/dbraw/zinc/33/96/44/296339644.db2.gz LUAMPNVPYLCLBX-IEBWSBKVSA-N 2 1 317.477 2.564 20 0 DFADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846262 399507722 /nfs/dbraw/zinc/50/77/22/399507722.db2.gz XDALDECUCXIOJU-HZPDHXFCSA-N 2 1 319.840 2.788 20 0 DFADMP CC[C@@H]([NH2+]CCc1cnn(-c2ccccc2)c1)[C@H]1CCCC[NH2+]1 ZINC000422821496 296339429 /nfs/dbraw/zinc/33/94/29/296339429.db2.gz WORKFCAIMJWTIR-RTBURBONSA-N 2 1 312.461 2.925 20 0 DFADMP Cc1cc(C)c([C@H](C)[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)c(C)c1 ZINC000631846367 399507858 /nfs/dbraw/zinc/50/78/58/399507858.db2.gz XYULIFWSZZVCJM-DOTOQJQBSA-N 2 1 313.449 2.670 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000422830474 296340985 /nfs/dbraw/zinc/34/09/85/296340985.db2.gz IGHJSQKYEALYDC-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000422830474 296340986 /nfs/dbraw/zinc/34/09/86/296340986.db2.gz IGHJSQKYEALYDC-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP CC[N@H+](CCC1CC[NH+]([C@@H](C)c2nncn2C)CC1)CC(C)C ZINC000347011885 285001637 /nfs/dbraw/zinc/00/16/37/285001637.db2.gz MWTUHEYUNLZDFR-INIZCTEOSA-N 2 1 321.513 2.956 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C)c2nncn2C)CC1)CC(C)C ZINC000347011885 285001639 /nfs/dbraw/zinc/00/16/39/285001639.db2.gz MWTUHEYUNLZDFR-INIZCTEOSA-N 2 1 321.513 2.956 20 0 DFADMP C[C@@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]1 ZINC000422828393 296340480 /nfs/dbraw/zinc/34/04/80/296340480.db2.gz APYVSWHYAPMFDO-PSBWJHGTSA-N 2 1 301.478 2.627 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422836180 296342102 /nfs/dbraw/zinc/34/21/02/296342102.db2.gz JKXVQIVCBTXOCT-VYDXJSESSA-N 2 1 307.507 2.677 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422836180 296342104 /nfs/dbraw/zinc/34/21/04/296342104.db2.gz JKXVQIVCBTXOCT-VYDXJSESSA-N 2 1 307.507 2.677 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000347065343 285009402 /nfs/dbraw/zinc/00/94/02/285009402.db2.gz KNUDZRXFRYJAKT-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OCC ZINC000347065343 285009405 /nfs/dbraw/zinc/00/94/05/285009405.db2.gz KNUDZRXFRYJAKT-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841263 296342735 /nfs/dbraw/zinc/34/27/35/296342735.db2.gz VLGDPXXIHVDXCT-ARFHVFGLSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841263 296342737 /nfs/dbraw/zinc/34/27/37/296342737.db2.gz VLGDPXXIHVDXCT-ARFHVFGLSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841263 296342740 /nfs/dbraw/zinc/34/27/40/296342740.db2.gz VLGDPXXIHVDXCT-ARFHVFGLSA-N 3 1 307.507 2.548 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841263 296342741 /nfs/dbraw/zinc/34/27/41/296342741.db2.gz VLGDPXXIHVDXCT-ARFHVFGLSA-N 3 1 307.507 2.548 20 0 DFADMP Clc1cccc([C@H](C[NH2+]C2CC[NH2+]CC2)N2CCCC2)c1 ZINC000422848486 296344275 /nfs/dbraw/zinc/34/42/75/296344275.db2.gz UBESAROQGBRATC-KRWDZBQOSA-N 2 1 307.869 2.819 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(Oc2cccc(F)c2)nc1)C1C[NH2+]C1 ZINC000422847297 296344090 /nfs/dbraw/zinc/34/40/90/296344090.db2.gz RCECYXPRFKCNIO-LBPRGKRZSA-N 2 1 301.365 2.711 20 0 DFADMP C1CCC([N@H+]2CC[C@H](N[C@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)C1 ZINC000422855923 296345698 /nfs/dbraw/zinc/34/56/98/296345698.db2.gz DHPAROQDZIMKEZ-KANFNMMFSA-N 2 1 305.510 2.904 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000422861085 296346408 /nfs/dbraw/zinc/34/64/08/296346408.db2.gz IXQYNHWKWVWIHN-KRWDZBQOSA-N 2 1 306.450 2.642 20 0 DFADMP Cc1ccc(C[NH2+]C2CC[NH2+]CC2)c(OCC(F)(F)F)c1 ZINC000422862185 296346596 /nfs/dbraw/zinc/34/65/96/296346596.db2.gz KBACHRHRFFMEDN-UHFFFAOYSA-N 2 1 302.340 2.778 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC[C@@H]2CCOC2)c1 ZINC000422871323 296348094 /nfs/dbraw/zinc/34/80/94/296348094.db2.gz YRBCLHCLBBLXOR-SJLPKXTDSA-N 2 1 318.461 2.642 20 0 DFADMP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000422867043 296347180 /nfs/dbraw/zinc/34/71/80/296347180.db2.gz RMCZKUHTADMORI-RHSMWYFYSA-N 3 1 316.449 2.585 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c(N2CCOCC2)c1 ZINC000422867736 296347305 /nfs/dbraw/zinc/34/73/05/296347305.db2.gz SSEHSYCCFSRASU-ZWKOTPCHSA-N 2 1 317.477 2.581 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1c[nH+]ccc1N ZINC000422869036 296347334 /nfs/dbraw/zinc/34/73/34/296347334.db2.gz VXSLKPJMMNSVLC-NEPJUHHUSA-N 2 1 318.371 2.702 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])[NH+]2CCCC2)o1 ZINC000422876986 296349173 /nfs/dbraw/zinc/34/91/73/296349173.db2.gz HCUIVISAZFEWIJ-IKGGRYGDSA-N 2 1 305.466 2.832 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN1C[C@@H](C)C[C@H](C)C1 ZINC000422874537 296348404 /nfs/dbraw/zinc/34/84/04/296348404.db2.gz AIBAONOFTUJNFB-JONQDZQNSA-N 2 1 318.509 2.866 20 0 DFADMP CC[N@@H+](CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1)C1CC1 ZINC000422874768 296348673 /nfs/dbraw/zinc/34/86/73/296348673.db2.gz BBGCMODYNUBBAU-MOPGFXCFSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@@H]3CC[NH2+]C3)cc2)C1 ZINC000422874917 296348678 /nfs/dbraw/zinc/34/86/78/296348678.db2.gz DPLJBQPGPIFJFI-JTDSTZFVSA-N 2 1 301.478 2.616 20 0 DFADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422875193 296348802 /nfs/dbraw/zinc/34/88/02/296348802.db2.gz CEFHALFCCQVDGY-AAEUAGOBSA-N 2 1 314.376 2.569 20 0 DFADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422883553 296350080 /nfs/dbraw/zinc/35/00/80/296350080.db2.gz CJTJALBUFKARMQ-ARFHVFGLSA-N 2 1 324.852 2.595 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000119700068 195021092 /nfs/dbraw/zinc/02/10/92/195021092.db2.gz JQLOFEWYFLREBA-ZSEKCTLFSA-N 2 1 306.475 2.701 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422889955 296351247 /nfs/dbraw/zinc/35/12/47/296351247.db2.gz RAJLCMJUSJJIFX-BWPNAZKDSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000422889955 296351248 /nfs/dbraw/zinc/35/12/48/296351248.db2.gz RAJLCMJUSJJIFX-BWPNAZKDSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1N[C@@H]1CCC[NH2+]CC1 ZINC000422889955 296351250 /nfs/dbraw/zinc/35/12/50/296351250.db2.gz RAJLCMJUSJJIFX-BWPNAZKDSA-N 2 1 315.505 2.875 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H](C)[C@H]2CCCC[NH2+]2)cc1F ZINC000422900496 296353098 /nfs/dbraw/zinc/35/30/98/296353098.db2.gz JJXUUIUUVAXILW-SUMWQHHRSA-N 2 1 316.424 2.940 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000422900555 296353166 /nfs/dbraw/zinc/35/31/66/296353166.db2.gz JOLAKUINJJPUKO-IRXDYDNUSA-N 2 1 305.466 2.531 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422893708 296351852 /nfs/dbraw/zinc/35/18/52/296351852.db2.gz AOHDKDVDRSAXLV-LPHOPBHVSA-N 2 1 301.478 2.676 20 0 DFADMP CC(C)[C@H](CO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000347416472 285043492 /nfs/dbraw/zinc/04/34/92/285043492.db2.gz OICBIZRBJWTKMW-IPQPSQTFSA-N 2 1 302.462 2.789 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)cc1 ZINC000119728343 195026678 /nfs/dbraw/zinc/02/66/78/195026678.db2.gz YBXSKNYGKMLIKN-YOFSQIOKSA-N 2 1 313.489 2.738 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)c1 ZINC000422939208 296358150 /nfs/dbraw/zinc/35/81/50/296358150.db2.gz RARDYFVOBOHIKY-GHMZBOCLSA-N 2 1 313.239 2.545 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422943966 296358514 /nfs/dbraw/zinc/35/85/14/296358514.db2.gz LTCZBZMIVULPMN-QAPCUYQASA-N 2 1 324.472 2.968 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCC[C@H]2[NH3+])ccc1OC1CCCC1 ZINC000422937688 296357867 /nfs/dbraw/zinc/35/78/67/296357867.db2.gz JWRWMRPXLGIKFR-CVEARBPZSA-N 2 1 304.434 2.986 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888789 399519963 /nfs/dbraw/zinc/51/99/63/399519963.db2.gz AYKQXHGRRLKGRO-WMLDXEAASA-N 2 1 319.424 2.537 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888789 399519965 /nfs/dbraw/zinc/51/99/65/399519965.db2.gz AYKQXHGRRLKGRO-WMLDXEAASA-N 2 1 319.424 2.537 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1 ZINC000631886256 399518871 /nfs/dbraw/zinc/51/88/71/399518871.db2.gz GLADJTKLXLETNF-BBRMVZONSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@@H]21)Nc1ccc(Cl)cc1 ZINC000631886256 399518873 /nfs/dbraw/zinc/51/88/73/399518873.db2.gz GLADJTKLXLETNF-BBRMVZONSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422958826 296360987 /nfs/dbraw/zinc/36/09/87/296360987.db2.gz QCAPOBURMJBOFF-SCLBCKFNSA-N 2 1 320.383 2.892 20 0 DFADMP CCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422963213 296361725 /nfs/dbraw/zinc/36/17/25/296361725.db2.gz HZQNWIRKAVQQRE-GVDBMIGSSA-N 2 1 303.450 2.881 20 0 DFADMP C[C@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422965391 296362125 /nfs/dbraw/zinc/36/21/25/296362125.db2.gz LBFLJMCKJKVSOX-INIZCTEOSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000422967339 296362580 /nfs/dbraw/zinc/36/25/80/296362580.db2.gz OYFJUNUJJDJKDQ-BPQIPLTHSA-N 2 1 304.478 2.909 20 0 DFADMP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccco1)c1ccccc1OC ZINC000422985834 296364271 /nfs/dbraw/zinc/36/42/71/296364271.db2.gz AONHLDFZXBLRIH-KBXCAEBGSA-N 2 1 318.417 2.721 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422987761 296364346 /nfs/dbraw/zinc/36/43/46/296364346.db2.gz HJSDTIHRQFLRLN-OWYHZJEWSA-N 2 1 301.478 2.798 20 0 DFADMP CO[C@H](C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000625347518 399529786 /nfs/dbraw/zinc/52/97/86/399529786.db2.gz GPXNSXHZRSJCFQ-WMLDXEAASA-N 2 1 317.408 2.904 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000625347518 399529790 /nfs/dbraw/zinc/52/97/90/399529790.db2.gz GPXNSXHZRSJCFQ-WMLDXEAASA-N 2 1 317.408 2.904 20 0 DFADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000422993776 296364855 /nfs/dbraw/zinc/36/48/55/296364855.db2.gz GFGKAOIPCHOCCQ-GMBSWORKSA-N 2 1 312.461 2.842 20 0 DFADMP CCC1(CN[C@@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000422999703 296365531 /nfs/dbraw/zinc/36/55/31/296365531.db2.gz FRVIWLPONMVIOW-GOSISDBHSA-N 2 1 301.478 2.630 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(c3nc4ccccc4n4cncc34)CC[C@@H]21 ZINC000624041030 399533528 /nfs/dbraw/zinc/53/35/28/399533528.db2.gz HBSPNUSXHJSTAW-ZBFHGGJFSA-N 2 1 321.428 2.803 20 0 DFADMP CC[C@H]([NH2+]CCOCc1ccc(OC)cc1)[C@H]1CCCC[NH2+]1 ZINC000422998630 296365614 /nfs/dbraw/zinc/36/56/14/296365614.db2.gz WMPFOMFSXICFHM-ZWKOTPCHSA-N 2 1 306.450 2.722 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000347606111 285089169 /nfs/dbraw/zinc/08/91/69/285089169.db2.gz BPDNRNXIFHPWOX-LSDHHAIUSA-N 2 1 311.857 2.576 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]CCc3cnc(C4CC4)nc3)CC[NH2+]2)cc1 ZINC000423015286 296368216 /nfs/dbraw/zinc/36/82/16/296368216.db2.gz QQXGKYVBNQUXNL-MOPGFXCFSA-N 2 1 322.456 2.979 20 0 DFADMP CO[C@@H](C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000625373104 399537015 /nfs/dbraw/zinc/53/70/15/399537015.db2.gz BVXXRWCZOXVTLL-PBHICJAKSA-N 2 1 317.408 2.904 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000625373104 399537019 /nfs/dbraw/zinc/53/70/19/399537019.db2.gz BVXXRWCZOXVTLL-PBHICJAKSA-N 2 1 317.408 2.904 20 0 DFADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423014473 296367603 /nfs/dbraw/zinc/36/76/03/296367603.db2.gz PEVYUJYKBLUIPX-IXDOHACOSA-N 2 1 302.466 2.548 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]1 ZINC000423018426 296368504 /nfs/dbraw/zinc/36/85/04/296368504.db2.gz YWZIOCGQWNBVLG-IMJJTQAJSA-N 2 1 314.433 2.960 20 0 DFADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423018066 296368518 /nfs/dbraw/zinc/36/85/18/296368518.db2.gz QAZJBXMDPQLVIU-KURKYZTESA-N 2 1 302.462 2.866 20 0 DFADMP COc1ccccc1OC[C@@H](C)C[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000423022478 296368862 /nfs/dbraw/zinc/36/88/62/296368862.db2.gz HSOPZBABBBMTIZ-UONOGXRCSA-N 2 1 315.417 2.868 20 0 DFADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)CCO1 ZINC000423039935 296370650 /nfs/dbraw/zinc/37/06/50/296370650.db2.gz GFTYUCKDBGBCGG-LFDJNIOPSA-N 2 1 324.509 2.717 20 0 DFADMP COc1cccc([C@@H]2[C@H](N[C@H](C)C[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000423041746 296371058 /nfs/dbraw/zinc/37/10/58/296371058.db2.gz JQCLQIJPMMINDS-TWKYDXJASA-N 2 1 317.477 2.688 20 0 DFADMP COc1cccc([C@@H]2[C@H](N[C@H](C)C[C@@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000423041746 296371059 /nfs/dbraw/zinc/37/10/59/296371059.db2.gz JQCLQIJPMMINDS-TWKYDXJASA-N 2 1 317.477 2.688 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423042886 296371423 /nfs/dbraw/zinc/37/14/23/296371423.db2.gz MNLNRPBCRURTDO-OZVIIMIRSA-N 2 1 311.832 2.788 20 0 DFADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423046526 296371566 /nfs/dbraw/zinc/37/15/66/296371566.db2.gz FMBFDNCCCUIJOC-JQHSSLGASA-N 2 1 314.429 2.988 20 0 DFADMP OC[C@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423057337 296373270 /nfs/dbraw/zinc/37/32/70/296373270.db2.gz HBKOQTHTHOGBBI-UFYCRDLUSA-N 2 1 310.441 2.673 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000159283277 197342239 /nfs/dbraw/zinc/34/22/39/197342239.db2.gz RZLDEUSBYQAFNN-INIZCTEOSA-N 3 1 319.493 2.762 20 0 DFADMP OC[C@H]1CC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000120195451 195117051 /nfs/dbraw/zinc/11/70/51/195117051.db2.gz KQIYACGVLDVWPC-IYARVYRRSA-N 2 1 302.462 2.792 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c2ccccc21 ZINC000423069409 296374511 /nfs/dbraw/zinc/37/45/11/296374511.db2.gz BCCLXFIZSYBJPP-RYUDHWBXSA-N 2 1 306.303 2.638 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423066568 296374096 /nfs/dbraw/zinc/37/40/96/296374096.db2.gz XDXHBBQNLHIJDC-AHRSYUTCSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423066568 296374098 /nfs/dbraw/zinc/37/40/98/296374098.db2.gz XDXHBBQNLHIJDC-AHRSYUTCSA-N 2 1 315.505 2.875 20 0 DFADMP COC(=O)CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159090437 197326586 /nfs/dbraw/zinc/32/65/86/197326586.db2.gz XWUKTVQMEXXRHM-MSOLQXFVSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159090437 197326588 /nfs/dbraw/zinc/32/65/88/197326588.db2.gz XWUKTVQMEXXRHM-MSOLQXFVSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159090437 197326590 /nfs/dbraw/zinc/32/65/90/197326590.db2.gz XWUKTVQMEXXRHM-MSOLQXFVSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159090437 197326591 /nfs/dbraw/zinc/32/65/91/197326591.db2.gz XWUKTVQMEXXRHM-MSOLQXFVSA-N 2 1 316.445 2.536 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423067409 296374686 /nfs/dbraw/zinc/37/46/86/296374686.db2.gz ZKSKUMHOKUYAAF-AAEUAGOBSA-N 2 1 306.841 2.704 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000347659894 285117737 /nfs/dbraw/zinc/11/77/37/285117737.db2.gz JWVBWXGKHNFBED-UHFFFAOYSA-N 2 1 322.449 2.716 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc(OC)c(O)c(OC)c2)CC1 ZINC000347659894 285117741 /nfs/dbraw/zinc/11/77/41/285117741.db2.gz JWVBWXGKHNFBED-UHFFFAOYSA-N 2 1 322.449 2.716 20 0 DFADMP C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423089823 296377028 /nfs/dbraw/zinc/37/70/28/296377028.db2.gz WCWHXBCZNOWNRV-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP CCO[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000423091671 296377097 /nfs/dbraw/zinc/37/70/97/296377097.db2.gz YDCKAHKDKDUUTJ-ZSYWTGECSA-N 2 1 318.461 2.511 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423088743 296377246 /nfs/dbraw/zinc/37/72/46/296377246.db2.gz SOLVLXHHACFRNJ-LLGZUXRYSA-N 2 1 319.415 2.509 20 0 DFADMP CC[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000423090709 296377324 /nfs/dbraw/zinc/37/73/24/296377324.db2.gz YITDNFZIZDXHKT-QYZOEREBSA-N 2 1 301.478 2.629 20 0 DFADMP CSCc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423108443 296379365 /nfs/dbraw/zinc/37/93/65/296379365.db2.gz MFMZVOFEDIFVIW-RCCFBDPRSA-N 2 1 320.502 2.796 20 0 DFADMP CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423108442 296379388 /nfs/dbraw/zinc/37/93/88/296379388.db2.gz MFMZVOFEDIFVIW-KZNAEPCWSA-N 2 1 320.502 2.796 20 0 DFADMP c1ccc(C2CC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423112705 296380175 /nfs/dbraw/zinc/38/01/75/296380175.db2.gz KALUVGFRICYBPB-YFPRJPQZSA-N 2 1 314.473 2.927 20 0 DFADMP Cc1cc2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)ccc2[nH]1 ZINC000423110576 296379801 /nfs/dbraw/zinc/37/98/01/296379801.db2.gz PEKLWOFXVRZRCP-UHOSZYNNSA-N 2 1 313.445 2.723 20 0 DFADMP c1ccc(C2CC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423112704 296380100 /nfs/dbraw/zinc/38/01/00/296380100.db2.gz KALUVGFRICYBPB-OCHJOZIMSA-N 2 1 314.473 2.927 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccsc1Br ZINC000423116578 296380307 /nfs/dbraw/zinc/38/03/07/296380307.db2.gz QMERUIWYQNDPCW-KOLCDFICSA-N 2 1 303.269 2.988 20 0 DFADMP CSC1(C[NH2+][C@@H]2C[C@@H](N)c3ccccc32)CC[NH+](C)CC1 ZINC000423118821 296380708 /nfs/dbraw/zinc/38/07/08/296380708.db2.gz AHBZCGHGYULSID-HZPDHXFCSA-N 2 1 305.491 2.548 20 0 DFADMP CSC1(CN[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC[NH+](C)CC1 ZINC000423118821 296380709 /nfs/dbraw/zinc/38/07/09/296380709.db2.gz AHBZCGHGYULSID-HZPDHXFCSA-N 2 1 305.491 2.548 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000272900181 210289303 /nfs/dbraw/zinc/28/93/03/210289303.db2.gz BIJBXGATXDRKJA-NVXWUHKLSA-N 2 1 306.450 2.501 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+](C)C)cc1 ZINC000423122539 296381199 /nfs/dbraw/zinc/38/11/99/296381199.db2.gz JUFGUJYIRLHEBJ-DAYGRLMNSA-N 2 1 307.482 2.792 20 0 DFADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423134019 296382631 /nfs/dbraw/zinc/38/26/31/296382631.db2.gz RGBIHQQXFIAMGH-HZZCBIDNSA-N 2 1 318.436 2.818 20 0 DFADMP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@@H]1CCCC[NH2+]1 ZINC000423136328 296383221 /nfs/dbraw/zinc/38/32/21/296383221.db2.gz PBUCJVNGORUWHX-RISCZKNCSA-N 2 1 301.356 2.763 20 0 DFADMP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423142839 296384040 /nfs/dbraw/zinc/38/40/40/296384040.db2.gz BJNINGPUOMEINR-LULLPPNCSA-N 2 1 318.436 2.950 20 0 DFADMP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000423144049 296384202 /nfs/dbraw/zinc/38/42/02/296384202.db2.gz YETYNCSPQHMNHA-NXHRZFHOSA-N 2 1 322.880 2.938 20 0 DFADMP [NH3+]CCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423177103 296388554 /nfs/dbraw/zinc/38/85/54/296388554.db2.gz AFVJMVURMRWDFT-CEXWTWQISA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423177103 296388556 /nfs/dbraw/zinc/38/85/56/296388556.db2.gz AFVJMVURMRWDFT-CEXWTWQISA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423177103 296388557 /nfs/dbraw/zinc/38/85/57/296388557.db2.gz AFVJMVURMRWDFT-CEXWTWQISA-N 3 1 301.478 2.616 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCCCC2)[C@@H]1Oc1ccccc1 ZINC000423181344 296389294 /nfs/dbraw/zinc/38/92/94/296389294.db2.gz OXQADGHNZBMYDT-KSZLIROESA-N 2 1 318.461 2.863 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423187578 296390034 /nfs/dbraw/zinc/39/00/34/296390034.db2.gz YGAZJNHPVUJOPH-MRXNPFEDSA-N 3 1 319.493 2.939 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423192780 296390923 /nfs/dbraw/zinc/39/09/23/296390923.db2.gz URFWNMRJUCUJQL-TZMCWYRMSA-N 2 1 300.381 2.563 20 0 DFADMP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194475 296390934 /nfs/dbraw/zinc/39/09/34/296390934.db2.gz YTQBWABBFNWJSJ-VQIMIIECSA-N 2 1 313.445 2.927 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423192778 296390794 /nfs/dbraw/zinc/39/07/94/296390794.db2.gz URFWNMRJUCUJQL-JSGCOSHPSA-N 2 1 300.381 2.563 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000423192777 296390837 /nfs/dbraw/zinc/39/08/37/296390837.db2.gz URFWNMRJUCUJQL-GXTWGEPZSA-N 2 1 300.381 2.563 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)Nc1ccsc1 ZINC000157404670 197185090 /nfs/dbraw/zinc/18/50/90/197185090.db2.gz MJHSWQPRJYDZAF-HNNXBMFYSA-N 2 1 324.494 2.628 20 0 DFADMP C[C@@H](N[C@@H](C)c1cccc(OCC[NH+](C)C)c1)[C@H]1CCC[NH2+]C1 ZINC000423218071 296393771 /nfs/dbraw/zinc/39/37/71/296393771.db2.gz RHKSFAVRRRKSEU-JZXOWHBKSA-N 2 1 319.493 2.666 20 0 DFADMP C[C@@H]([NH2+]CC[C@H](C)[NH3+])c1ccccc1I ZINC000423227251 296394726 /nfs/dbraw/zinc/39/47/26/296394726.db2.gz VBIIZIALCPSBBG-VHSXEESVSA-N 2 1 318.202 2.679 20 0 DFADMP CC[NH2+]CC[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423229040 296394783 /nfs/dbraw/zinc/39/47/83/296394783.db2.gz AAVNFVJAHUGGFJ-OAHLLOKOSA-N 2 1 311.267 2.969 20 0 DFADMP C[C@@H]([NH3+])CC[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423222577 296394377 /nfs/dbraw/zinc/39/43/77/296394377.db2.gz BSKCJKWOWMRRAI-PELKAZGASA-N 2 1 301.203 2.902 20 0 DFADMP C[C@@H](Cc1ccccc1)N1CCC([NH2+]C2CCC([NH3+])CC2)CC1 ZINC000423240194 296395888 /nfs/dbraw/zinc/39/58/88/296395888.db2.gz XAUOEHFFOWTUCM-IVMQYODDSA-N 2 1 315.505 2.942 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000629387541 399590020 /nfs/dbraw/zinc/59/00/20/399590020.db2.gz GBFDPBVQMKSKAL-DSLXNQLJSA-N 2 1 301.478 2.770 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@H]4CCC[NH2+]4)[C@H]3C2)cc1 ZINC000423246637 296396695 /nfs/dbraw/zinc/39/66/95/296396695.db2.gz ZOVLMESHCHBWFD-YRPNKDGESA-N 2 1 313.489 2.629 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156942792 197152057 /nfs/dbraw/zinc/15/20/57/197152057.db2.gz HDVCFTCWGBJLKN-IJEWVQPXSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000156942792 197152059 /nfs/dbraw/zinc/15/20/59/197152059.db2.gz HDVCFTCWGBJLKN-IJEWVQPXSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000423272104 296399084 /nfs/dbraw/zinc/39/90/84/296399084.db2.gz YKMCRGUWXCNGHJ-WMLDXEAASA-N 2 1 303.450 2.901 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1Br ZINC000423271421 296399094 /nfs/dbraw/zinc/39/90/94/296399094.db2.gz HKIWXBBEPXDIKN-RNCFNFMXSA-N 2 1 313.239 2.846 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000423271174 296399218 /nfs/dbraw/zinc/39/92/18/296399218.db2.gz XKTROOQTDSSCHP-GXTWGEPZSA-N 2 1 303.450 2.940 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)c(Br)c1 ZINC000423274657 296399513 /nfs/dbraw/zinc/39/95/13/296399513.db2.gz KRAXSXIWZRALFR-ISVAXAHUSA-N 2 1 301.203 2.976 20 0 DFADMP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629408604 399595637 /nfs/dbraw/zinc/59/56/37/399595637.db2.gz XCGODLMOCWOCBD-PKFCDNJMSA-N 2 1 315.230 2.859 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000423265994 296398547 /nfs/dbraw/zinc/39/85/47/296398547.db2.gz RLLCAZNWVQTEFN-HVEKOLDVSA-N 2 1 315.461 2.782 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)cc(OC)c1OC ZINC000423267060 296398686 /nfs/dbraw/zinc/39/86/86/296398686.db2.gz DRYDLJUIQKFVFZ-GXTWGEPZSA-N 2 1 310.438 2.736 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000423269815 296398817 /nfs/dbraw/zinc/39/88/17/296398817.db2.gz HQCKWXGYHCAOGL-ZYHUDNBSSA-N 2 1 302.365 2.931 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423275348 296399800 /nfs/dbraw/zinc/39/98/00/296399800.db2.gz LSUMBNFYKORWAI-HUUCEWRRSA-N 2 1 309.251 2.633 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000423299200 296402061 /nfs/dbraw/zinc/40/20/61/296402061.db2.gz PQMSLWCEVIBZBZ-MRXNPFEDSA-N 2 1 323.440 2.664 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCSC3)CC2)cc1 ZINC000271547822 209001711 /nfs/dbraw/zinc/00/17/11/209001711.db2.gz VDRKUCZTBHEZGQ-QGZVFWFLSA-N 2 1 308.466 2.928 20 0 DFADMP C[C@@H](NC[C@@]1(C)CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423326420 296404315 /nfs/dbraw/zinc/40/43/15/296404315.db2.gz KMTGYDMHCKIJIV-APWZRJJASA-N 2 1 319.493 2.667 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000155193069 197030960 /nfs/dbraw/zinc/03/09/60/197030960.db2.gz ICFKLQWHVYHGIG-GOEBONIOSA-N 2 1 306.450 2.709 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1Cl ZINC000423407624 296413491 /nfs/dbraw/zinc/41/34/91/296413491.db2.gz MUCVYHNQDYYNNJ-QCZZGDTMSA-N 2 1 303.233 2.614 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1C[C@@]1(C)C(C)C ZINC000356445174 285248347 /nfs/dbraw/zinc/24/83/47/285248347.db2.gz JBTQLKSZJNQHFW-LMMKCTJWSA-N 2 1 323.525 2.543 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCCN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423438353 296416741 /nfs/dbraw/zinc/41/67/41/296416741.db2.gz RIJRWLBAKJWXDB-GUYCJALGSA-N 2 1 312.417 2.516 20 0 DFADMP C[N@H+]1CCC[C@@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073434123 542464494 /nfs/dbraw/zinc/46/44/94/542464494.db2.gz RPVLMJPOANSEMC-QGZVFWFLSA-N 2 1 310.401 2.649 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(-n2ccnc2)cc1 ZINC000423463638 296418630 /nfs/dbraw/zinc/41/86/30/296418630.db2.gz ASGDRGSQEPMVQD-UKRRQHHQSA-N 2 1 320.387 2.768 20 0 DFADMP C[C@H]([NH2+]CCC(=O)N1CCC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934556 285255237 /nfs/dbraw/zinc/25/52/37/285255237.db2.gz OYBWJHCPOCUKIY-IKGGRYGDSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423485542 296420921 /nfs/dbraw/zinc/42/09/21/296420921.db2.gz AVMQIBIWRANDPE-FZMZJTMJSA-N 2 1 302.340 2.735 20 0 DFADMP COc1ccccc1[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423496373 296422266 /nfs/dbraw/zinc/42/22/66/296422266.db2.gz WRGCLNWJSGJIRB-APWZRJJASA-N 2 1 318.461 2.895 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423503960 296423073 /nfs/dbraw/zinc/42/30/73/296423073.db2.gz NFOYYQVHSNIRMX-USXIJHARSA-N 2 1 310.482 2.996 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccccc1C(F)(F)F ZINC000423516167 296425039 /nfs/dbraw/zinc/42/50/39/296425039.db2.gz NNIQEXSNVPKTOQ-NEPJUHHUSA-N 2 1 302.340 2.735 20 0 DFADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H]1C[NH2+]CCN1C ZINC000423510301 296424317 /nfs/dbraw/zinc/42/43/17/296424317.db2.gz JMWHUCHDNGBDKN-QZTJIDSGSA-N 2 1 323.912 2.790 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(OC(F)(F)F)cc1 ZINC000423511919 296424333 /nfs/dbraw/zinc/42/43/33/296424333.db2.gz KOJYEMYQHHBDJL-SMDDNHRTSA-N 2 1 318.339 2.614 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000423520748 296425478 /nfs/dbraw/zinc/42/54/78/296425478.db2.gz QFLRYDWKTJWTOC-CGTJXYLNSA-N 2 1 321.896 2.859 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423530354 296426947 /nfs/dbraw/zinc/42/69/47/296426947.db2.gz RFKUNWWLXLUUIZ-GFCCVEGCSA-N 2 1 319.840 2.713 20 0 DFADMP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257510 399617192 /nfs/dbraw/zinc/61/71/92/399617192.db2.gz GLLKTBMCVAGEQQ-WMLDXEAASA-N 2 1 303.450 2.920 20 0 DFADMP CC(C)[C@@H](C)[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000682075138 545791327 /nfs/dbraw/zinc/79/13/27/545791327.db2.gz RJJYTDBOAHIWNB-GOSISDBHSA-N 2 1 303.494 2.781 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347991102 285287083 /nfs/dbraw/zinc/28/70/83/285287083.db2.gz BNVGWIOZVCZUGX-YTQUADARSA-N 2 1 302.462 2.913 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000271578111 209028445 /nfs/dbraw/zinc/02/84/45/209028445.db2.gz WMILDRSYZXHZBE-XFBWCDHKSA-N 2 1 314.832 2.832 20 0 DFADMP COCCOCc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000289898394 221301680 /nfs/dbraw/zinc/30/16/80/221301680.db2.gz YHGCSTKKAZRSGE-UHFFFAOYSA-N 2 1 318.461 2.566 20 0 DFADMP Cn1nccc1C[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000289909797 221310504 /nfs/dbraw/zinc/31/05/04/221310504.db2.gz UPEFGYAPQXOOBX-GOSISDBHSA-N 2 1 312.461 2.812 20 0 DFADMP Cn1nccc1C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000289909797 221310505 /nfs/dbraw/zinc/31/05/05/221310505.db2.gz UPEFGYAPQXOOBX-GOSISDBHSA-N 2 1 312.461 2.812 20 0 DFADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]CC1([NH3+])CCOCC1)CCCO2 ZINC000629525664 399636895 /nfs/dbraw/zinc/63/68/95/399636895.db2.gz YOIRXEPMYDCJAN-MRXNPFEDSA-N 2 1 304.434 2.615 20 0 DFADMP Oc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000290015051 221381162 /nfs/dbraw/zinc/38/11/62/221381162.db2.gz USBSBWVGBCOCOQ-NSHDSACASA-N 2 1 314.351 2.985 20 0 DFADMP Oc1cc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000290015051 221381163 /nfs/dbraw/zinc/38/11/63/221381163.db2.gz USBSBWVGBCOCOQ-NSHDSACASA-N 2 1 314.351 2.985 20 0 DFADMP C[C@@H]1CC[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C[NH2+]1 ZINC000629538424 399640168 /nfs/dbraw/zinc/64/01/68/399640168.db2.gz JOLSHYUCANASRN-NEPXVJNWSA-N 2 1 301.478 2.770 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000348065815 285327080 /nfs/dbraw/zinc/32/70/80/285327080.db2.gz ALSGMRCBURHMSJ-RTWAWAEBSA-N 2 1 322.452 2.901 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000348065815 285327084 /nfs/dbraw/zinc/32/70/84/285327084.db2.gz ALSGMRCBURHMSJ-RTWAWAEBSA-N 2 1 322.452 2.901 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000348065819 285327143 /nfs/dbraw/zinc/32/71/43/285327143.db2.gz ALSGMRCBURHMSJ-SFTDATJTSA-N 2 1 322.452 2.901 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000348065819 285327151 /nfs/dbraw/zinc/32/71/51/285327151.db2.gz ALSGMRCBURHMSJ-SFTDATJTSA-N 2 1 322.452 2.901 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629566159 399652658 /nfs/dbraw/zinc/65/26/58/399652658.db2.gz MKGWEZQTLNFYIL-OCCSQVGLSA-N 2 1 302.340 2.525 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629566159 399652661 /nfs/dbraw/zinc/65/26/61/399652661.db2.gz MKGWEZQTLNFYIL-OCCSQVGLSA-N 2 1 302.340 2.525 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1Oc1ccccc1 ZINC000629578848 399653460 /nfs/dbraw/zinc/65/34/60/399653460.db2.gz VVNAYFKCEIBHKF-UHFFFAOYSA-N 2 1 300.402 2.886 20 0 DFADMP C[NH+](C)[C@H]1C[C@@H](CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000624373734 399656701 /nfs/dbraw/zinc/65/67/01/399656701.db2.gz YETXWDYKGJOIBY-KDYLLFBJSA-N 2 1 323.444 2.749 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)c2ccccc21 ZINC000629598880 399660135 /nfs/dbraw/zinc/66/01/35/399660135.db2.gz XHORNJWGBZBAAE-SNRMKQJTSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c2ccccc21 ZINC000629598880 399660139 /nfs/dbraw/zinc/66/01/39/399660139.db2.gz XHORNJWGBZBAAE-SNRMKQJTSA-N 2 1 302.462 2.916 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)c2ccccc21 ZINC000629545525 399643083 /nfs/dbraw/zinc/64/30/83/399643083.db2.gz HTVYYUKOUPLAKT-QIIPPGSGSA-N 2 1 311.433 2.541 20 0 DFADMP CCCc1ccc([C@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000629547333 399643862 /nfs/dbraw/zinc/64/38/62/399643862.db2.gz MRDAIRGRJHPTEF-KSSFIOAISA-N 2 1 313.449 2.616 20 0 DFADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCC1 ZINC000629551787 399645219 /nfs/dbraw/zinc/64/52/19/399645219.db2.gz XLALKDVCDDSJPV-MCIONIFRSA-N 2 1 320.399 2.856 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629559213 399649014 /nfs/dbraw/zinc/64/90/14/399649014.db2.gz AJPRFPORUORLGU-LSDHHAIUSA-N 2 1 316.367 2.662 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629559213 399649019 /nfs/dbraw/zinc/64/90/19/399649019.db2.gz AJPRFPORUORLGU-LSDHHAIUSA-N 2 1 316.367 2.662 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629563736 399650820 /nfs/dbraw/zinc/65/08/20/399650820.db2.gz QNFAWRZAQVGZFX-QLFBSQMISA-N 2 1 316.367 2.833 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629563736 399650826 /nfs/dbraw/zinc/65/08/26/399650826.db2.gz QNFAWRZAQVGZFX-QLFBSQMISA-N 2 1 316.367 2.833 20 0 DFADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629564085 399651147 /nfs/dbraw/zinc/65/11/47/399651147.db2.gz RJSDGNVJQJZBQJ-QWRGUYRKSA-N 2 1 307.385 2.719 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)s1 ZINC000629564085 399651152 /nfs/dbraw/zinc/65/11/52/399651152.db2.gz RJSDGNVJQJZBQJ-QWRGUYRKSA-N 2 1 307.385 2.719 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567661 399652100 /nfs/dbraw/zinc/65/21/00/399652100.db2.gz PRTPUSATKXQICA-UONOGXRCSA-N 2 1 316.367 2.963 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567661 399652107 /nfs/dbraw/zinc/65/21/07/399652107.db2.gz PRTPUSATKXQICA-UONOGXRCSA-N 2 1 316.367 2.963 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccc(F)c(-c2cccs2)c1 ZINC000629663165 399681190 /nfs/dbraw/zinc/68/11/90/399681190.db2.gz KGULESWFWMTNHJ-UHFFFAOYSA-N 2 1 308.422 2.961 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC[S@@](=O)c1ccccc1 ZINC000603112211 399684053 /nfs/dbraw/zinc/68/40/53/399684053.db2.gz UVIAMVWVJMHFQT-JOCHJYFZSA-N 2 1 322.518 2.992 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cccc(OC2CCCC2)c1 ZINC000629652595 399676352 /nfs/dbraw/zinc/67/63/52/399676352.db2.gz JBAFBWQFYCHIJH-UHFFFAOYSA-N 2 1 306.450 2.676 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629654356 399676455 /nfs/dbraw/zinc/67/64/55/399676455.db2.gz HUMVOINEHIQLFT-KBPBESRZSA-N 2 1 316.367 2.963 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1C ZINC000629654356 399676457 /nfs/dbraw/zinc/67/64/57/399676457.db2.gz HUMVOINEHIQLFT-KBPBESRZSA-N 2 1 316.367 2.963 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCCC(=O)OC(C)(C)C ZINC000612691531 399706349 /nfs/dbraw/zinc/70/63/49/399706349.db2.gz GIXHEKSLINAJND-UHFFFAOYSA-N 2 1 307.438 2.749 20 0 DFADMP Cc1cc(C[NH3+])ccc1-c1ccccc1CN1CC[NH+](C)CC1 ZINC000629735496 399707521 /nfs/dbraw/zinc/70/75/21/399707521.db2.gz ZDPMUZTTYWIKED-UHFFFAOYSA-N 2 1 309.457 2.868 20 0 DFADMP O=C(Cc1c(F)cccc1F)Nc1cnccc1-n1ccnc1 ZINC000087299954 542521562 /nfs/dbraw/zinc/52/15/62/542521562.db2.gz PLCQNHYVRIFCTA-UHFFFAOYSA-N 2 1 314.295 2.727 20 0 DFADMP CCCCCC(=O)NC1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000348082275 285335223 /nfs/dbraw/zinc/33/52/23/285335223.db2.gz YFVJHPSBROHZPK-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1cccc(Cl)c1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000295035030 224393371 /nfs/dbraw/zinc/39/33/71/224393371.db2.gz WANHHGIUOXJJBU-UHFFFAOYSA-N 2 1 309.885 2.718 20 0 DFADMP C[N@H+](Cc1ncccc1C(F)(F)F)CC1CC[NH+](C)CC1 ZINC000093088680 542551396 /nfs/dbraw/zinc/55/13/96/542551396.db2.gz JZHOLLQTIJZYPC-UHFFFAOYSA-N 2 1 301.356 2.874 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)CC1CCCC1 ZINC000617505583 399719992 /nfs/dbraw/zinc/71/99/92/399719992.db2.gz ITEMGEOUJVASGB-HOTGVXAUSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H](C)CC1CCCC1 ZINC000617505583 399719997 /nfs/dbraw/zinc/71/99/97/399719997.db2.gz ITEMGEOUJVASGB-HOTGVXAUSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@H](CC1CCCC1)C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617505582 399720756 /nfs/dbraw/zinc/72/07/56/399720756.db2.gz ITEMGEOUJVASGB-CVEARBPZSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@H](CC1CCCC1)C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617505582 399720759 /nfs/dbraw/zinc/72/07/59/399720759.db2.gz ITEMGEOUJVASGB-CVEARBPZSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099292 285347567 /nfs/dbraw/zinc/34/75/67/285347567.db2.gz WQIIVEKMDFJVJP-SNRMKQJTSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348100147 285348999 /nfs/dbraw/zinc/34/89/99/285348999.db2.gz DZZTUFPSEBXUKG-RQJABVFESA-N 2 1 308.388 2.806 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348100147 285349000 /nfs/dbraw/zinc/34/90/00/285349000.db2.gz DZZTUFPSEBXUKG-RQJABVFESA-N 2 1 308.388 2.806 20 0 DFADMP COc1ccc(OC(F)F)c(CN(C)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000120955789 195270558 /nfs/dbraw/zinc/27/05/58/195270558.db2.gz UXDMPWQGUWQXMA-GFCCVEGCSA-N 2 1 314.376 2.680 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H]1CC[NH+](C)C1 ZINC000120974930 195274705 /nfs/dbraw/zinc/27/47/05/195274705.db2.gz CTQXRZUSKRSLIC-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H]1CC[NH+](C)C1 ZINC000120974930 195274707 /nfs/dbraw/zinc/27/47/07/195274707.db2.gz CTQXRZUSKRSLIC-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000120974930 195274709 /nfs/dbraw/zinc/27/47/09/195274709.db2.gz CTQXRZUSKRSLIC-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1ccccc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000120974930 195274711 /nfs/dbraw/zinc/27/47/11/195274711.db2.gz CTQXRZUSKRSLIC-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)ccc1F ZINC000121113298 195294883 /nfs/dbraw/zinc/29/48/83/195294883.db2.gz OMARNPKGANROAF-HNNXBMFYSA-N 2 1 308.441 2.659 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000121768794 195343823 /nfs/dbraw/zinc/34/38/23/195343823.db2.gz UFGLEXWQEBXHEY-UHFFFAOYSA-N 2 1 313.401 2.604 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2nccs2)CC1 ZINC000122057372 195395303 /nfs/dbraw/zinc/39/53/03/195395303.db2.gz LWUMOTPYIWDHKX-UHFFFAOYSA-N 2 1 311.495 2.714 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2nccs2)CC1 ZINC000122057372 195395306 /nfs/dbraw/zinc/39/53/06/195395306.db2.gz LWUMOTPYIWDHKX-UHFFFAOYSA-N 2 1 311.495 2.714 20 0 DFADMP O[C@H]1c2ccccc2C[C@H]1[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000367595794 285373339 /nfs/dbraw/zinc/37/33/39/285373339.db2.gz YHZIAJKSOROCHB-MOPGFXCFSA-N 2 1 300.446 2.641 20 0 DFADMP CC[N@@H+](CCOC1CCOCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063420 399742874 /nfs/dbraw/zinc/74/28/74/399742874.db2.gz COSQGDSIFWEFJS-UHFFFAOYSA-N 2 1 320.477 2.766 20 0 DFADMP COCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309949324 533257458 /nfs/dbraw/zinc/25/74/58/533257458.db2.gz FICYPLSOJPCGPU-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP COCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309949324 533257467 /nfs/dbraw/zinc/25/74/67/533257467.db2.gz FICYPLSOJPCGPU-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP COCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309949324 533257470 /nfs/dbraw/zinc/25/74/70/533257470.db2.gz FICYPLSOJPCGPU-RBUKOAKNSA-N 2 1 302.462 2.867 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000296673778 533377776 /nfs/dbraw/zinc/37/77/76/533377776.db2.gz HGSLHYAVCSQGKB-RBUKOAKNSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000296673778 533377779 /nfs/dbraw/zinc/37/77/79/533377779.db2.gz HGSLHYAVCSQGKB-RBUKOAKNSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000296673778 533377784 /nfs/dbraw/zinc/37/77/84/533377784.db2.gz HGSLHYAVCSQGKB-RBUKOAKNSA-N 2 1 302.462 2.662 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@@H](C)O1 ZINC000126953111 542610006 /nfs/dbraw/zinc/61/00/06/542610006.db2.gz BBTRICOPWWPDGD-IAGOWNOFSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000629961025 399770583 /nfs/dbraw/zinc/77/05/83/399770583.db2.gz GSARFIJDXXMNNO-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000629961025 399770586 /nfs/dbraw/zinc/77/05/86/399770586.db2.gz GSARFIJDXXMNNO-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629961025 399770590 /nfs/dbraw/zinc/77/05/90/399770590.db2.gz GSARFIJDXXMNNO-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](NCc2ccc(C)cn2)[C@H](C)C1 ZINC000134330284 542649589 /nfs/dbraw/zinc/64/95/89/542649589.db2.gz CBHQBRZOBMVVOV-SJLPKXTDSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cn2)[C@H](C)C1 ZINC000134330284 542649592 /nfs/dbraw/zinc/64/95/92/542649592.db2.gz CBHQBRZOBMVVOV-SJLPKXTDSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cn2)[C@H](C)C1 ZINC000134330284 542649597 /nfs/dbraw/zinc/64/95/97/542649597.db2.gz CBHQBRZOBMVVOV-SJLPKXTDSA-N 2 1 305.466 2.617 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC(F)F ZINC000156219343 542699884 /nfs/dbraw/zinc/69/98/84/542699884.db2.gz JYKKLZIYAHYZQQ-ZYHUDNBSSA-N 2 1 300.349 2.608 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@H]2C)ccc1OC(F)F ZINC000156219343 542699886 /nfs/dbraw/zinc/69/98/86/542699886.db2.gz JYKKLZIYAHYZQQ-ZYHUDNBSSA-N 2 1 300.349 2.608 20 0 DFADMP Cc1ccnc(N2CCN(CCC(=O)Nc3ccccc3)CC2)c1 ZINC000164046208 132128544 /nfs/dbraw/zinc/12/85/44/132128544.db2.gz DOXDZFFZMPISPY-UHFFFAOYSA-N 2 1 324.428 2.541 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cccc(OCC[NH+](C)C)c2)CC1 ZINC000162528358 542737699 /nfs/dbraw/zinc/73/76/99/542737699.db2.gz HDLVXLWSNGFDEU-UHFFFAOYSA-N 3 1 319.493 2.591 20 0 DFADMP C[NH+](C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232929 542749865 /nfs/dbraw/zinc/74/98/65/542749865.db2.gz ZNXRIXXTNGPFSW-RCCFBDPRSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232929 542749867 /nfs/dbraw/zinc/74/98/67/542749867.db2.gz ZNXRIXXTNGPFSW-RCCFBDPRSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232929 542749870 /nfs/dbraw/zinc/74/98/70/542749870.db2.gz ZNXRIXXTNGPFSW-RCCFBDPRSA-N 2 1 305.441 2.645 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000166241982 542750140 /nfs/dbraw/zinc/75/01/40/542750140.db2.gz QCJUJZXPGSIQFJ-IAGOWNOFSA-N 2 1 302.466 2.644 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000166241982 542750145 /nfs/dbraw/zinc/75/01/45/542750145.db2.gz QCJUJZXPGSIQFJ-IAGOWNOFSA-N 2 1 302.466 2.644 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000166325654 542752015 /nfs/dbraw/zinc/75/20/15/542752015.db2.gz LIZDMCSWEQLGCI-IAGOWNOFSA-N 2 1 318.461 2.853 20 0 DFADMP COc1ccc(COCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166467671 542752041 /nfs/dbraw/zinc/75/20/41/542752041.db2.gz FKYCVDLFRFYYNG-QZTJIDSGSA-N 2 1 318.461 2.818 20 0 DFADMP C(C1CCCC1)[NH+]1CCC(N[C@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166388875 542752168 /nfs/dbraw/zinc/75/21/68/542752168.db2.gz JOLNBSKFBSPZFI-RBUKOAKNSA-N 2 1 305.510 2.857 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CC(C)(C)[NH3+])C1 ZINC000237503632 542903285 /nfs/dbraw/zinc/90/32/85/542903285.db2.gz NBTRFTOWKKLKRG-HNNXBMFYSA-N 2 1 317.477 2.662 20 0 DFADMP CCC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000261629425 542952718 /nfs/dbraw/zinc/95/27/18/542952718.db2.gz BTKCNAWLVDDMAL-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000261629425 542952720 /nfs/dbraw/zinc/95/27/20/542952720.db2.gz BTKCNAWLVDDMAL-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268938310 542961732 /nfs/dbraw/zinc/96/17/32/542961732.db2.gz SJQLKUSBJAEBMX-SJQORLFUSA-N 2 1 300.446 2.807 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000268938310 542961735 /nfs/dbraw/zinc/96/17/35/542961735.db2.gz SJQLKUSBJAEBMX-SJQORLFUSA-N 2 1 300.446 2.807 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(N2CCCC2=O)c1 ZINC000424371338 296505413 /nfs/dbraw/zinc/50/54/13/296505413.db2.gz FUWHBYQTIOYSIW-KBRIMQKVSA-N 2 1 301.434 2.734 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@@H+]3C)CC2 ZINC000296651688 543035941 /nfs/dbraw/zinc/03/59/41/543035941.db2.gz YXKAFRQOPKNTRW-BTFYYFJDSA-N 2 1 316.445 2.906 20 0 DFADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC1CCOCC1 ZINC000625137305 399851832 /nfs/dbraw/zinc/85/18/32/399851832.db2.gz YTWNOMNVXCTNNM-SFHVURJKSA-N 2 1 324.509 2.770 20 0 DFADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)OC1CCOCC1 ZINC000625137305 399851833 /nfs/dbraw/zinc/85/18/33/399851833.db2.gz YTWNOMNVXCTNNM-SFHVURJKSA-N 2 1 324.509 2.770 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339263978 543142753 /nfs/dbraw/zinc/14/27/53/543142753.db2.gz IBNURPYGIDJFRD-KURKYZTESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000339286165 543143369 /nfs/dbraw/zinc/14/33/69/543143369.db2.gz KRVVZIYXVOIBSH-JKSUJKDBSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000339278971 543143716 /nfs/dbraw/zinc/14/37/16/543143716.db2.gz NNXQBEONPVUICP-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000339286160 543143758 /nfs/dbraw/zinc/14/37/58/543143758.db2.gz KRVVZIYXVOIBSH-HOTGVXAUSA-N 2 1 311.514 2.734 20 0 DFADMP COCC[C@H](C)[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338634582 543137461 /nfs/dbraw/zinc/13/74/61/543137461.db2.gz XXMDIQSTUVONJA-LSDHHAIUSA-N 2 1 323.506 2.854 20 0 DFADMP COCC[C@H](C)[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338634582 543137462 /nfs/dbraw/zinc/13/74/62/543137462.db2.gz XXMDIQSTUVONJA-LSDHHAIUSA-N 2 1 323.506 2.854 20 0 DFADMP c1cnn(Cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c2)c1 ZINC000339068781 543139786 /nfs/dbraw/zinc/13/97/86/543139786.db2.gz PZPCYWNEAFUKHL-OALUTQOASA-N 2 1 310.445 2.648 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)cc1 ZINC000339070197 543140042 /nfs/dbraw/zinc/14/00/42/543140042.db2.gz XQDDZUUQCGYJLC-FHWLQOOXSA-N 2 1 301.478 2.814 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339070197 543140044 /nfs/dbraw/zinc/14/00/44/543140044.db2.gz XQDDZUUQCGYJLC-FHWLQOOXSA-N 2 1 301.478 2.814 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)cc1 ZINC000339070197 543140046 /nfs/dbraw/zinc/14/00/46/543140046.db2.gz XQDDZUUQCGYJLC-FHWLQOOXSA-N 2 1 301.478 2.814 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)[NH+](C)Cc1ccccc1 ZINC000339066207 543140116 /nfs/dbraw/zinc/14/01/16/543140116.db2.gz FUVPKSLYIIMZGG-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@H+](C)Cc1ccccc1 ZINC000339066207 543140118 /nfs/dbraw/zinc/14/01/18/543140118.db2.gz FUVPKSLYIIMZGG-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+]2CCC[C@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000339066207 543140121 /nfs/dbraw/zinc/14/01/21/543140121.db2.gz FUVPKSLYIIMZGG-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000339066207 543140122 /nfs/dbraw/zinc/14/01/22/543140122.db2.gz FUVPKSLYIIMZGG-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)N(C)Cc1ccccc1 ZINC000339066207 543140125 /nfs/dbraw/zinc/14/01/25/543140125.db2.gz FUVPKSLYIIMZGG-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339250994 543141965 /nfs/dbraw/zinc/14/19/65/543141965.db2.gz QANLEWJZVZFRLY-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339250994 543141967 /nfs/dbraw/zinc/14/19/67/543141967.db2.gz QANLEWJZVZFRLY-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339250994 543141968 /nfs/dbraw/zinc/14/19/68/543141968.db2.gz QANLEWJZVZFRLY-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000339234685 543142191 /nfs/dbraw/zinc/14/21/91/543142191.db2.gz UVHGBRURJWXRIV-CABCVRRESA-N 2 1 323.506 2.732 20 0 DFADMP CCO[C@H](C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000625180435 399858162 /nfs/dbraw/zinc/85/81/62/399858162.db2.gz LUUQDCLECMQOAN-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@H](C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000625180435 399858164 /nfs/dbraw/zinc/85/81/64/399858164.db2.gz LUUQDCLECMQOAN-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP CCCC[C@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000343530352 543167733 /nfs/dbraw/zinc/16/77/33/543167733.db2.gz NMVUSXXONYNNGV-JKSUJKDBSA-N 2 1 311.514 2.734 20 0 DFADMP CCCC[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000343530347 543167740 /nfs/dbraw/zinc/16/77/40/543167740.db2.gz NMVUSXXONYNNGV-CVEARBPZSA-N 2 1 311.514 2.734 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](CC[C@@H](C)[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348247789 543183808 /nfs/dbraw/zinc/18/38/08/543183808.db2.gz WOXPYJCOCNZRFP-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348247789 543183812 /nfs/dbraw/zinc/18/38/12/543183812.db2.gz WOXPYJCOCNZRFP-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348247789 543183815 /nfs/dbraw/zinc/18/38/15/543183815.db2.gz WOXPYJCOCNZRFP-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247792 543184100 /nfs/dbraw/zinc/18/41/00/543184100.db2.gz WOXPYJCOCNZRFP-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247792 543184102 /nfs/dbraw/zinc/18/41/02/543184102.db2.gz WOXPYJCOCNZRFP-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247792 543184104 /nfs/dbraw/zinc/18/41/04/543184104.db2.gz WOXPYJCOCNZRFP-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000353822837 146776737 /nfs/dbraw/zinc/77/67/37/146776737.db2.gz USAYAZJGXQAGFG-JOCHJYFZSA-N 2 1 322.518 2.918 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000351606502 543226151 /nfs/dbraw/zinc/22/61/51/543226151.db2.gz TYKWXSOORWXHLO-IRXDYDNUSA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000351606502 543226154 /nfs/dbraw/zinc/22/61/54/543226154.db2.gz TYKWXSOORWXHLO-IRXDYDNUSA-N 2 1 308.441 2.958 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ncc[nH]1 ZINC000353521349 543236465 /nfs/dbraw/zinc/23/64/65/543236465.db2.gz RFPQPXAPGDWKEI-OAHLLOKOSA-N 2 1 314.433 2.735 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000357815040 543264295 /nfs/dbraw/zinc/26/42/95/543264295.db2.gz VESMVOSHUFHWQY-PSBWJHGTSA-N 2 1 304.478 2.546 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390728026 543306867 /nfs/dbraw/zinc/30/68/67/543306867.db2.gz SXWVXQZLGODFAY-WMZOPIPTSA-N 2 1 319.493 2.634 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000390728025 543307014 /nfs/dbraw/zinc/30/70/14/543307014.db2.gz SXWVXQZLGODFAY-AEFFLSMTSA-N 2 1 319.493 2.634 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000165111329 145229144 /nfs/dbraw/zinc/22/91/44/145229144.db2.gz YIJLPRNYAFTYRX-OWSLCNJRSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@H](NC[C@@H](C1CC1)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000166197138 145232689 /nfs/dbraw/zinc/23/26/89/145232689.db2.gz ROVPOWNXRFKQJT-KXBFYZLASA-N 2 1 319.493 2.618 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[C@@H]1c1ccccc1 ZINC000414300042 543325033 /nfs/dbraw/zinc/32/50/33/543325033.db2.gz LHYRUKAGYQPZSX-HZMVEIRTSA-N 2 1 324.415 2.960 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[C@@H]1c1ccccc1 ZINC000414300042 543325034 /nfs/dbraw/zinc/32/50/34/543325034.db2.gz LHYRUKAGYQPZSX-HZMVEIRTSA-N 2 1 324.415 2.960 20 0 DFADMP CCOc1c(C[NH2+][C@@H]2CCC[C@@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414932604 543328244 /nfs/dbraw/zinc/32/82/44/543328244.db2.gz VWRDMKZCTMYUAM-HUUCEWRRSA-N 2 1 308.470 2.606 20 0 DFADMP C[C@@H]([NH3+])[C@@H](C)[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000415025126 543328286 /nfs/dbraw/zinc/32/82/86/543328286.db2.gz ZPKQZVWRQWLKAP-NXEZZACHSA-N 2 1 308.223 2.823 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000174900764 145393409 /nfs/dbraw/zinc/39/34/09/145393409.db2.gz LIPUCFXLNUHPBY-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000174900764 145393412 /nfs/dbraw/zinc/39/34/12/145393412.db2.gz LIPUCFXLNUHPBY-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP C[C@@]1(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CCC[NH2+]C1 ZINC000630512009 399896913 /nfs/dbraw/zinc/89/69/13/399896913.db2.gz HWYYLPKIVDXYKC-LJQANCHMSA-N 2 1 323.444 2.798 20 0 DFADMP CC[C@H]1CN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000630513025 399897111 /nfs/dbraw/zinc/89/71/11/399897111.db2.gz OGXQYGOKGPWZNG-YOEHRIQHSA-N 2 1 323.444 2.560 20 0 DFADMP [NH3+]CCCOCCNc1cc[nH+]c2c(Br)cccc12 ZINC000630537162 399899740 /nfs/dbraw/zinc/89/97/40/399899740.db2.gz IYVGEOFYNXPPPT-UHFFFAOYSA-N 2 1 324.222 2.775 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CCC[NH+]2CCC(C)CC2)c1 ZINC000631035320 399966145 /nfs/dbraw/zinc/96/61/45/399966145.db2.gz FPRGGCOMBCOTTP-UHFFFAOYSA-N 2 1 303.450 2.857 20 0 DFADMP Cn1nc2c(c1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1)CCCC2 ZINC000631036022 399966352 /nfs/dbraw/zinc/96/63/52/399966352.db2.gz ZZCYYVAAKVMTJZ-UHFFFAOYSA-N 2 1 304.482 2.698 20 0 DFADMP C[C@@H](C[NH2+]Cc1c2c(nn1C)CCCC2)C[NH+]1CCCCC1 ZINC000631047351 399968639 /nfs/dbraw/zinc/96/86/39/399968639.db2.gz SISJBQIPPLPVBV-HNNXBMFYSA-N 2 1 304.482 2.511 20 0 DFADMP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cc(C)no2)cc1 ZINC000631045620 399968782 /nfs/dbraw/zinc/96/87/82/399968782.db2.gz CLNMHUJJCRPNSF-UHFFFAOYSA-N 2 1 317.433 2.993 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000631079607 399976131 /nfs/dbraw/zinc/97/61/31/399976131.db2.gz NELLYLZJHVOIEA-AYHJJNSGSA-N 2 1 301.434 2.750 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000631079607 399976133 /nfs/dbraw/zinc/97/61/33/399976133.db2.gz NELLYLZJHVOIEA-AYHJJNSGSA-N 2 1 301.434 2.750 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000631085273 399977692 /nfs/dbraw/zinc/97/76/92/399977692.db2.gz JMSOAOTUDCZKNA-QAPCUYQASA-N 2 1 311.429 2.930 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628544331 400039531 /nfs/dbraw/zinc/03/95/31/400039531.db2.gz DLXBOLRBHRAUMO-HOCLYGCPSA-N 2 1 309.498 2.676 20 0 DFADMP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+](CC)CC ZINC000628545447 400039786 /nfs/dbraw/zinc/03/97/86/400039786.db2.gz POJRRZIIKWHXGD-IRXDYDNUSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)(C[NH2+]Cc1ccnn1CC1CCC1)C[NH+]1CCCC1 ZINC000631122290 399985061 /nfs/dbraw/zinc/98/50/61/399985061.db2.gz YDJJQOWEEDLACA-UHFFFAOYSA-N 2 1 304.482 2.895 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000634120878 399985251 /nfs/dbraw/zinc/98/52/51/399985251.db2.gz PQMOAEXNCHMJPD-XHSDSOJGSA-N 2 1 309.498 2.581 20 0 DFADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000631177945 399996787 /nfs/dbraw/zinc/99/67/87/399996787.db2.gz CHXJTBNWXNFHIJ-INIZCTEOSA-N 2 1 303.450 2.610 20 0 DFADMP COc1cncc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000631177945 399996789 /nfs/dbraw/zinc/99/67/89/399996789.db2.gz CHXJTBNWXNFHIJ-INIZCTEOSA-N 2 1 303.450 2.610 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000631179546 399997309 /nfs/dbraw/zinc/99/73/09/399997309.db2.gz UVTRXNSDCYWUMW-SFHVURJKSA-N 2 1 315.461 2.857 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000631179546 399997311 /nfs/dbraw/zinc/99/73/11/399997311.db2.gz UVTRXNSDCYWUMW-SFHVURJKSA-N 2 1 315.461 2.857 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000628214424 400002852 /nfs/dbraw/zinc/00/28/52/400002852.db2.gz WZXYAONOLQXKJY-GOSISDBHSA-N 2 1 317.521 2.962 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@H](O)C(F)(F)F ZINC000631235017 400010011 /nfs/dbraw/zinc/01/00/11/400010011.db2.gz UEHIKTIYPUBNQG-RISCZKNCSA-N 2 1 308.388 2.685 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cnc4ccccc4n3)C2)CC1 ZINC000628279851 400012652 /nfs/dbraw/zinc/01/26/52/400012652.db2.gz CQFAQSIMWZMEFC-INIZCTEOSA-N 2 1 310.445 2.794 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631251556 400012705 /nfs/dbraw/zinc/01/27/05/400012705.db2.gz YWSURDGVLROFSY-BZSNNMDCSA-N 2 1 300.446 2.687 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000631251556 400012708 /nfs/dbraw/zinc/01/27/08/400012708.db2.gz YWSURDGVLROFSY-BZSNNMDCSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@]1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCCS1 ZINC000628337992 400022262 /nfs/dbraw/zinc/02/22/62/400022262.db2.gz XABIZXJDNGBUBL-ZWKOTPCHSA-N 2 1 320.502 2.629 20 0 DFADMP C[C@@]1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CCCS1 ZINC000628337991 400022472 /nfs/dbraw/zinc/02/24/72/400022472.db2.gz XABIZXJDNGBUBL-ROUUACIJSA-N 2 1 320.502 2.629 20 0 DFADMP Cc1ccc([C@H](C)C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1 ZINC000628352120 400024839 /nfs/dbraw/zinc/02/48/39/400024839.db2.gz XTCSJFJUNFOOFI-APWZRJJASA-N 2 1 302.462 2.630 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628747817 400051895 /nfs/dbraw/zinc/05/18/95/400051895.db2.gz CPNUMHOXLYESNB-KRWDZBQOSA-N 2 1 311.514 2.737 20 0 DFADMP C[N@H+]1CCCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000628748974 400052585 /nfs/dbraw/zinc/05/25/85/400052585.db2.gz ZKMMGIYIEGNUOA-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000628748974 400052587 /nfs/dbraw/zinc/05/25/87/400052587.db2.gz ZKMMGIYIEGNUOA-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000628748974 400052589 /nfs/dbraw/zinc/05/25/89/400052589.db2.gz ZKMMGIYIEGNUOA-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(C)ccn1 ZINC000631625715 400059568 /nfs/dbraw/zinc/05/95/68/400059568.db2.gz QBKJBVSBQFNSMO-KRWDZBQOSA-N 2 1 318.509 2.847 20 0 DFADMP C1CC2(C1)[C@@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631646446 400061602 /nfs/dbraw/zinc/06/16/02/400061602.db2.gz LVGIOHXMXDPYIG-UBDQQSCGSA-N 2 1 304.478 2.941 20 0 DFADMP C1CC2(C1)[C@@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631646446 400061604 /nfs/dbraw/zinc/06/16/04/400061604.db2.gz LVGIOHXMXDPYIG-UBDQQSCGSA-N 2 1 304.478 2.941 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000631673224 400064847 /nfs/dbraw/zinc/06/48/47/400064847.db2.gz RSCNSVMIJHYRPS-IVDHNXQLSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H](O)C(F)F ZINC000631696255 400067494 /nfs/dbraw/zinc/06/74/94/400067494.db2.gz FKOZVGTVQQLNNG-VNQPRFMTSA-N 2 1 312.404 2.503 20 0 DFADMP O[C@H](CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(F)F ZINC000631697968 400067911 /nfs/dbraw/zinc/06/79/11/400067911.db2.gz AHAPRMJFAFGWRN-WCXIOVBPSA-N 2 1 324.415 2.788 20 0 DFADMP C[C@H]([NH2+]CC[C@@H](O)C(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631698624 400068165 /nfs/dbraw/zinc/06/81/65/400068165.db2.gz GIANFYIAUHXJHK-NUEKZKHPSA-N 2 1 312.404 2.503 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C)CC[N@H+]1C ZINC000631794095 400075730 /nfs/dbraw/zinc/07/57/30/400075730.db2.gz RMGGTNJQOOVMQP-MISYRCLQSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)CC[NH+]1C ZINC000631794095 400075732 /nfs/dbraw/zinc/07/57/32/400075732.db2.gz RMGGTNJQOOVMQP-MISYRCLQSA-N 2 1 315.505 2.779 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC[NH+]1C ZINC000631794095 400075733 /nfs/dbraw/zinc/07/57/33/400075733.db2.gz RMGGTNJQOOVMQP-MISYRCLQSA-N 2 1 315.505 2.779 20 0 DFADMP c1cc(C[NH+]2CCC([NH2+]CC3CC3)CC2)c2c(c1)COCC2 ZINC000631821532 400077672 /nfs/dbraw/zinc/07/76/72/400077672.db2.gz ATJUEHMFBUUEAW-UHFFFAOYSA-N 2 1 300.446 2.723 20 0 DFADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)co2)c1 ZINC000631823816 400077767 /nfs/dbraw/zinc/07/77/67/400077767.db2.gz OKQPUQILJFXFOK-JQFCIGGWSA-N 2 1 313.401 2.519 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)co2)c1 ZINC000631823816 400077768 /nfs/dbraw/zinc/07/77/68/400077768.db2.gz OKQPUQILJFXFOK-JQFCIGGWSA-N 2 1 313.401 2.519 20 0 DFADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2c(c1)COCC2 ZINC000631827663 400078158 /nfs/dbraw/zinc/07/81/58/400078158.db2.gz UFGVPWYRPBLJQC-DNVCBOLYSA-N 2 1 300.446 2.723 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CCN3CCCC[C@@H]23)cc1OC ZINC000237010404 146035201 /nfs/dbraw/zinc/03/52/01/146035201.db2.gz MFLQFZLOQUJOOK-CVEARBPZSA-N 2 1 304.434 2.810 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@@H]2CCCC[NH2+]2)cc1 ZINC000237448036 146043778 /nfs/dbraw/zinc/04/37/78/146043778.db2.gz RRDXXSXIMVULIQ-GUYCJALGSA-N 2 1 312.417 2.500 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCOC1CCCCCC1 ZINC000441259440 543355028 /nfs/dbraw/zinc/35/50/28/543355028.db2.gz DOWYRFGEMXNVHD-NZSAHSFTSA-N 2 1 324.509 2.909 20 0 DFADMP C[C@H]1C[C@H](N(C)C(=O)CC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000237582897 146046784 /nfs/dbraw/zinc/04/67/84/146046784.db2.gz MSJCBFGLZRXRNE-DOTOQJQBSA-N 2 1 317.477 2.625 20 0 DFADMP Cc1[nH+]ccn1-c1ncccc1NC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000237639164 146048970 /nfs/dbraw/zinc/04/89/70/146048970.db2.gz GJVOIZDQNCKVKM-HNNXBMFYSA-N 2 1 321.384 2.604 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2COC3(CCCCCC3)O2)[C@H](C)C1 ZINC000245559490 146083313 /nfs/dbraw/zinc/08/33/13/146083313.db2.gz IEWSMTKMAHNYPT-IKGGRYGDSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([C@H]3C[C@@H]3C)o2)CC1 ZINC000245745781 146099213 /nfs/dbraw/zinc/09/92/13/146099213.db2.gz MRYSHNDXXNEZOT-MPGHIAIKSA-N 2 1 320.477 2.928 20 0 DFADMP C[C@@H]1OCC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000245907122 146108002 /nfs/dbraw/zinc/10/80/02/146108002.db2.gz CMQIARNFGCQDIQ-CYJAXWMASA-N 2 1 318.461 2.563 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2cc(C)c(C(=O)OC)o2)C1 ZINC000246215498 146131466 /nfs/dbraw/zinc/13/14/66/146131466.db2.gz ZARKWQLVDVUYFN-KGLIPLIRSA-N 2 1 308.422 2.709 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000247089693 146160655 /nfs/dbraw/zinc/16/06/55/146160655.db2.gz NWYHEQAIICMISD-MSRNWOCLSA-N 2 1 302.462 2.849 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@@H+]2C ZINC000247089693 146160658 /nfs/dbraw/zinc/16/06/58/146160658.db2.gz NWYHEQAIICMISD-MSRNWOCLSA-N 2 1 302.462 2.849 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161033 /nfs/dbraw/zinc/16/10/33/146161033.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161036 /nfs/dbraw/zinc/16/10/36/146161036.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161039 /nfs/dbraw/zinc/16/10/39/146161039.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161042 /nfs/dbraw/zinc/16/10/42/146161042.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000247090594 146161045 /nfs/dbraw/zinc/16/10/45/146161045.db2.gz NZHWDEOMENFHDE-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)cc1C ZINC000247140796 146163950 /nfs/dbraw/zinc/16/39/50/146163950.db2.gz XBBNFSNBLPPHNJ-IRXDYDNUSA-N 2 1 317.477 2.904 20 0 DFADMP FC(F)COCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000249032365 146182367 /nfs/dbraw/zinc/18/23/67/146182367.db2.gz LTLXIWDBRLAGHY-YESZJQIVSA-N 2 1 324.415 2.768 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000249041522 146184815 /nfs/dbraw/zinc/18/48/15/146184815.db2.gz UVUYSVDQSNTNHD-WKWVNEEDSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000249099393 146186592 /nfs/dbraw/zinc/18/65/92/146186592.db2.gz NGPJGKFKVHNQNT-QRQLOZEOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000249099393 146186596 /nfs/dbraw/zinc/18/65/96/146186596.db2.gz NGPJGKFKVHNQNT-QRQLOZEOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000249099393 146186600 /nfs/dbraw/zinc/18/66/00/146186600.db2.gz NGPJGKFKVHNQNT-QRQLOZEOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000249099393 146186603 /nfs/dbraw/zinc/18/66/03/146186603.db2.gz NGPJGKFKVHNQNT-QRQLOZEOSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000249099393 146186606 /nfs/dbraw/zinc/18/66/06/146186606.db2.gz NGPJGKFKVHNQNT-QRQLOZEOSA-N 2 1 313.489 2.723 20 0 DFADMP CO[C@H](C)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249091634 146187405 /nfs/dbraw/zinc/18/74/05/146187405.db2.gz NMUYFVYVFBWATI-NXWXRZEISA-N 2 1 302.462 2.912 20 0 DFADMP OC[C@@H]1C[N@@H+](CCC[NH+]2CCCCC2)C[C@H]1c1ccsc1 ZINC000249329662 146194739 /nfs/dbraw/zinc/19/47/39/146194739.db2.gz HLKKEIKKYNSSNQ-IRXDYDNUSA-N 2 1 308.491 2.632 20 0 DFADMP CSC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000249459794 146197857 /nfs/dbraw/zinc/19/78/57/146197857.db2.gz OQNMWUQNELOTQO-BPQIPLTHSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000249459794 146197860 /nfs/dbraw/zinc/19/78/60/146197860.db2.gz OQNMWUQNELOTQO-BPQIPLTHSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249459794 146197862 /nfs/dbraw/zinc/19/78/62/146197862.db2.gz OQNMWUQNELOTQO-BPQIPLTHSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249459794 146197866 /nfs/dbraw/zinc/19/78/66/146197866.db2.gz OQNMWUQNELOTQO-BPQIPLTHSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000249454610 146198567 /nfs/dbraw/zinc/19/85/67/146198567.db2.gz NFOCMYOIIGUPGG-NVXWUHKLSA-N 2 1 314.539 2.687 20 0 DFADMP CSC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459797 146198644 /nfs/dbraw/zinc/19/86/44/146198644.db2.gz OQNMWUQNELOTQO-CGTJXYLNSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459797 146198646 /nfs/dbraw/zinc/19/86/46/146198646.db2.gz OQNMWUQNELOTQO-CGTJXYLNSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459797 146198649 /nfs/dbraw/zinc/19/86/49/146198649.db2.gz OQNMWUQNELOTQO-CGTJXYLNSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459797 146198653 /nfs/dbraw/zinc/19/86/53/146198653.db2.gz OQNMWUQNELOTQO-CGTJXYLNSA-N 2 1 322.518 2.695 20 0 DFADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000250128467 146209698 /nfs/dbraw/zinc/20/96/98/146209698.db2.gz WOBKMHWOVIVDIS-UEDWAMCQSA-N 2 1 314.473 2.790 20 0 DFADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000250127778 146210199 /nfs/dbraw/zinc/21/01/99/146210199.db2.gz WOBKMHWOVIVDIS-MDMHHNQBSA-N 2 1 314.473 2.790 20 0 DFADMP [NH3+]C1CCC([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000261552504 146239538 /nfs/dbraw/zinc/23/95/38/146239538.db2.gz RNXLMPRIRNDASO-RDLPGAODSA-N 3 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1C[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c2ccccc21 ZINC000261555152 146239956 /nfs/dbraw/zinc/23/99/56/146239956.db2.gz UUDHVEJSSMBFKT-NSISKUIASA-N 2 1 307.441 2.995 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261557570 146241387 /nfs/dbraw/zinc/24/13/87/146241387.db2.gz XLVPCKZVILFRSF-GOSISDBHSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261557570 146241392 /nfs/dbraw/zinc/24/13/92/146241392.db2.gz XLVPCKZVILFRSF-GOSISDBHSA-N 3 1 315.505 2.973 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261557570 146241395 /nfs/dbraw/zinc/24/13/95/146241395.db2.gz XLVPCKZVILFRSF-GOSISDBHSA-N 3 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cccc(N)c3)CC2)C[C@H](C)O1 ZINC000261616959 146247174 /nfs/dbraw/zinc/24/71/74/146247174.db2.gz BHKHSKZTASBMPU-IYBDPMFKSA-N 2 1 317.477 2.590 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261669484 146256162 /nfs/dbraw/zinc/25/61/62/146256162.db2.gz GFTLUUPUNMSSSN-GOSISDBHSA-N 2 1 316.424 2.799 20 0 DFADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261694546 146260682 /nfs/dbraw/zinc/26/06/82/146260682.db2.gz NOKSLLPBSHIWSL-YNEHKIRRSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000261694546 146260685 /nfs/dbraw/zinc/26/06/85/146260685.db2.gz NOKSLLPBSHIWSL-YNEHKIRRSA-N 2 1 303.431 2.881 20 0 DFADMP CC[C@H]1C[C@H](C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCO1 ZINC000261702657 146262685 /nfs/dbraw/zinc/26/26/85/146262685.db2.gz JLPQFUOCOMQYIV-YSHGAJCASA-N 2 1 302.462 2.866 20 0 DFADMP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261707849 146264257 /nfs/dbraw/zinc/26/42/57/146264257.db2.gz DHXNYUFNMVFRIS-MOPGFXCFSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261707849 146264262 /nfs/dbraw/zinc/26/42/62/146264262.db2.gz DHXNYUFNMVFRIS-MOPGFXCFSA-N 2 1 318.461 2.676 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC2CC[NH2+]CC2)CC1)CC1CC1 ZINC000261745848 146269157 /nfs/dbraw/zinc/26/91/57/146269157.db2.gz BUKBEQHEJRIYRW-UHFFFAOYSA-N 3 1 307.526 2.820 20 0 DFADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](C[C@@H]2CCC[NH2+]C2)C1 ZINC000261747450 146269144 /nfs/dbraw/zinc/26/91/44/146269144.db2.gz BWZDFKJTGAJGOU-WBVHZDCISA-N 2 1 306.425 2.806 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@]2(C)CC[NH2+]C2)cc1OC(F)F ZINC000261763651 146271661 /nfs/dbraw/zinc/27/16/61/146271661.db2.gz LRMZTQRUTGFATQ-MRXNPFEDSA-N 2 1 314.376 2.728 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@]2(C)CC[NH2+]C2)cc1OC(F)F ZINC000261763651 146271664 /nfs/dbraw/zinc/27/16/64/146271664.db2.gz LRMZTQRUTGFATQ-MRXNPFEDSA-N 2 1 314.376 2.728 20 0 DFADMP Cc1cccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1C ZINC000261759763 146272048 /nfs/dbraw/zinc/27/20/48/146272048.db2.gz PUFJWEZUBNQAPE-GOSISDBHSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261775938 146274785 /nfs/dbraw/zinc/27/47/85/146274785.db2.gz FAFQAHGXZBWDSR-UONOGXRCSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261775938 146274790 /nfs/dbraw/zinc/27/47/90/146274790.db2.gz FAFQAHGXZBWDSR-UONOGXRCSA-N 2 1 302.397 2.571 20 0 DFADMP Cc1cc2cc(C[N@H+]3CC[C@H](N4CC[NH2+]CC4)C3)oc2cc1C ZINC000261827819 146284809 /nfs/dbraw/zinc/28/48/09/146284809.db2.gz AAWQNURWHOQJBN-KRWDZBQOSA-N 2 1 313.445 2.529 20 0 DFADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000261877216 146292885 /nfs/dbraw/zinc/29/28/85/146292885.db2.gz DUMZDLGEMAQYHB-DAXOMENPSA-N 2 1 312.816 2.726 20 0 DFADMP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261875931 146293260 /nfs/dbraw/zinc/29/32/60/146293260.db2.gz DRWLDPAATGEIFS-DUQPFJRNSA-N 2 1 324.509 2.574 20 0 DFADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000261899499 146297641 /nfs/dbraw/zinc/29/76/41/146297641.db2.gz HOSDOQNHXHCEIG-IPMKNSEASA-N 2 1 302.462 2.593 20 0 DFADMP CCN(C[C@@]1(C)CC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261909159 146300629 /nfs/dbraw/zinc/30/06/29/146300629.db2.gz XTBROZYCHWGAMW-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1Cl ZINC000261920608 146301539 /nfs/dbraw/zinc/30/15/39/146301539.db2.gz HXTGIKVVIUHZKR-ZIAGYGMSSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1Cl ZINC000261920608 146301542 /nfs/dbraw/zinc/30/15/42/146301542.db2.gz HXTGIKVVIUHZKR-ZIAGYGMSSA-N 2 1 323.868 2.721 20 0 DFADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261930975 146304669 /nfs/dbraw/zinc/30/46/69/146304669.db2.gz LSFAJFRTIQJCRU-GUDVDZBRSA-N 2 1 302.462 2.593 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261934778 146305839 /nfs/dbraw/zinc/30/58/39/146305839.db2.gz MCRFBRDYSDLIGZ-NXWXRZEISA-N 2 1 302.462 2.845 20 0 DFADMP Fc1cccc(C2(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000261934886 146305873 /nfs/dbraw/zinc/30/58/73/146305873.db2.gz MDOZFFJFWJELSV-KSZLIROESA-N 2 1 318.436 2.604 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261952415 146308450 /nfs/dbraw/zinc/30/84/50/146308450.db2.gz WPCFHURKDIEXPB-SZMVWBNQSA-N 2 1 316.445 2.847 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261952415 146308453 /nfs/dbraw/zinc/30/84/53/146308453.db2.gz WPCFHURKDIEXPB-SZMVWBNQSA-N 2 1 316.445 2.847 20 0 DFADMP C[C@]1(C[N@@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000261947220 146308658 /nfs/dbraw/zinc/30/86/58/146308658.db2.gz FLZSUNPNGQYHTN-ROUUACIJSA-N 2 1 306.425 2.806 20 0 DFADMP C[C@]1(C[N@H+](Cc2cccc(F)c2)C[C@@H]2CCCO2)CC[NH2+]C1 ZINC000261947220 146308661 /nfs/dbraw/zinc/30/86/61/146308661.db2.gz FLZSUNPNGQYHTN-ROUUACIJSA-N 2 1 306.425 2.806 20 0 DFADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261970225 146311941 /nfs/dbraw/zinc/31/19/41/146311941.db2.gz QKKNZHAKUXRVPR-XHSDSOJGSA-N 2 1 324.852 2.595 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H]2C[C@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977862 146312715 /nfs/dbraw/zinc/31/27/15/146312715.db2.gz IXLUWVNNPMVQIA-BZSNNMDCSA-N 2 1 306.425 2.713 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980825 146314755 /nfs/dbraw/zinc/31/47/55/146314755.db2.gz RHFQXEITOGOAOB-ZIAGYGMSSA-N 2 1 323.868 2.578 20 0 DFADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c1 ZINC000261981493 146315142 /nfs/dbraw/zinc/31/51/42/146315142.db2.gz RSTODPNOGWPULI-QXCFHYIPSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H](n3ccc(C(F)(F)F)n3)C2)CC[NH2+]C1 ZINC000261998161 146318837 /nfs/dbraw/zinc/31/88/37/146318837.db2.gz LAFSHWFRKYFNML-OCCSQVGLSA-N 2 1 316.371 2.538 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261997155 146319194 /nfs/dbraw/zinc/31/91/94/146319194.db2.gz UEZFHTAALTYQOM-QRVBRYPASA-N 2 1 318.461 2.722 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000262009018 146321149 /nfs/dbraw/zinc/32/11/49/146321149.db2.gz WDAQXPXDYKLXMA-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC(F)F ZINC000262009018 146321153 /nfs/dbraw/zinc/32/11/53/146321153.db2.gz WDAQXPXDYKLXMA-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000262027668 146323350 /nfs/dbraw/zinc/32/33/50/146323350.db2.gz XFLKKGXNYWWJMQ-BBWFWOEESA-N 2 1 314.429 2.988 20 0 DFADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262027672 146323989 /nfs/dbraw/zinc/32/39/89/146323989.db2.gz XFLKKGXNYWWJMQ-BRWVUGGUSA-N 2 1 314.429 2.988 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1(CC)CC ZINC000262043521 146326064 /nfs/dbraw/zinc/32/60/64/146326064.db2.gz YUZNOSDUJUWKIZ-DFBDCSAJSA-N 2 1 324.509 2.717 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047989 146327025 /nfs/dbraw/zinc/32/70/25/146327025.db2.gz ZHCPUGKZJSZXEE-OLZOCXBDSA-N 2 1 304.463 2.708 20 0 DFADMP C[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000262052762 146327749 /nfs/dbraw/zinc/32/77/49/146327749.db2.gz ZVTODQMFEBPQQT-MSOLQXFVSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262101991 146333230 /nfs/dbraw/zinc/33/32/30/146333230.db2.gz VROZUGDFFWCRGV-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP Fc1ccc(-n2cc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cn2)cc1 ZINC000262102038 146333572 /nfs/dbraw/zinc/33/35/72/146333572.db2.gz VSCLCDWMSPOBKK-UHFFFAOYSA-N 2 1 314.408 2.587 20 0 DFADMP C[N@@H+](CCNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])C1CCCCC1 ZINC000262211728 146342674 /nfs/dbraw/zinc/34/26/74/146342674.db2.gz FAESHYSHHBYZTE-SFYZZRBRSA-N 2 1 321.509 2.521 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccccc1 ZINC000262364158 146353609 /nfs/dbraw/zinc/35/36/09/146353609.db2.gz WRUDCBOIKNMEMT-NCXUSEDFSA-N 2 1 301.478 2.800 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262372479 146354891 /nfs/dbraw/zinc/35/48/91/146354891.db2.gz XOVBGUGMTOMHOQ-XYPWUTKMSA-N 2 1 304.434 2.679 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC(F)F ZINC000262555827 146371410 /nfs/dbraw/zinc/37/14/10/146371410.db2.gz UDWDQKLENBPQBW-YPMHNXCESA-N 2 1 314.376 2.713 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1ccccc1)C1(CO)CCCC1 ZINC000459544303 543394262 /nfs/dbraw/zinc/39/42/62/543394262.db2.gz NOIBQWYELKJBER-SFHVURJKSA-N 2 1 313.445 2.846 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2scnc2C2CC2)CC1 ZINC000486962387 543400514 /nfs/dbraw/zinc/40/05/14/543400514.db2.gz CFHHHESLTDZXTI-UHFFFAOYSA-N 2 1 322.522 2.528 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000354346329 147001888 /nfs/dbraw/zinc/00/18/88/147001888.db2.gz HLMFNMPCQUYSLZ-UHOSZYNNSA-N 2 1 320.477 2.711 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H]1CCOC[C@@H]1C)c1ccccc1 ZINC000354346329 147001892 /nfs/dbraw/zinc/00/18/92/147001892.db2.gz HLMFNMPCQUYSLZ-UHOSZYNNSA-N 2 1 320.477 2.711 20 0 DFADMP CC(C)CC[NH+]1CCC(CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000354834003 147169778 /nfs/dbraw/zinc/16/97/78/147169778.db2.gz RRRZHLFZHQZTMR-WMZOPIPTSA-N 2 1 323.525 2.591 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000354928570 147199089 /nfs/dbraw/zinc/19/90/89/147199089.db2.gz GLBXEKYLVWGJED-LUKYLMHMSA-N 2 1 309.498 2.628 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000355216401 147225789 /nfs/dbraw/zinc/22/57/89/147225789.db2.gz FIAWOEVUFLUNPS-HSALFYBXSA-N 2 1 314.473 2.859 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc3c(cc2OC)OCO3)[C@@H](C)C1 ZINC000355359644 147282938 /nfs/dbraw/zinc/28/29/38/147282938.db2.gz SDHSMLZFPLIANQ-ZFWWWQNUSA-N 2 1 320.433 2.586 20 0 DFADMP Cc1cc(NC[C@H](c2ccc(Cl)cc2)[NH+](C)C)nc(C)[nH+]1 ZINC000531334738 543434653 /nfs/dbraw/zinc/43/46/53/543434653.db2.gz PAAOBZQGGAZMDE-OAHLLOKOSA-N 2 1 304.825 2.884 20 0 DFADMP C[C@@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[NH+]1CCCCCC1 ZINC000533826963 543436607 /nfs/dbraw/zinc/43/66/07/543436607.db2.gz OTCIFBHEXYYKMI-YJBOKZPZSA-N 2 1 315.461 2.554 20 0 DFADMP C[C@@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1CCCCCC1 ZINC000533826963 543436608 /nfs/dbraw/zinc/43/66/08/543436608.db2.gz OTCIFBHEXYYKMI-YJBOKZPZSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2nccn2Cc2ccccc2)CC1 ZINC000350144932 286010601 /nfs/dbraw/zinc/01/06/01/286010601.db2.gz FULGVLYBNQSONP-UHFFFAOYSA-N 2 1 312.461 2.705 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000358002569 148206946 /nfs/dbraw/zinc/20/69/46/148206946.db2.gz GRNTZCUAKWSGDV-RHSMWYFYSA-N 2 1 303.450 2.711 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)NC(C)(C)C ZINC000358027517 148217677 /nfs/dbraw/zinc/21/76/77/148217677.db2.gz RVIFSCUENYCBHX-CQSZACIVSA-N 2 1 309.498 2.676 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3c[nH]c4ncncc34)C2)[nH+]1 ZINC000638007532 543497413 /nfs/dbraw/zinc/49/74/13/543497413.db2.gz RPFGGDLODNQXQC-AWEZNQCLSA-N 2 1 322.416 2.547 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3c[nH]c4ncncc34)C2)[nH+]1 ZINC000638007532 543497416 /nfs/dbraw/zinc/49/74/16/543497416.db2.gz RPFGGDLODNQXQC-AWEZNQCLSA-N 2 1 322.416 2.547 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000358153861 148263599 /nfs/dbraw/zinc/26/35/99/148263599.db2.gz DQRJGZBCPHZSCH-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000358153861 148263602 /nfs/dbraw/zinc/26/36/02/148263602.db2.gz DQRJGZBCPHZSCH-QGZVFWFLSA-N 2 1 320.433 2.710 20 0 DFADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000279609508 286023923 /nfs/dbraw/zinc/02/39/23/286023923.db2.gz XFRVBZGETSUNNF-AOIWGVFYSA-N 2 1 320.477 2.853 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCOCc2cccc(OC)c2)[C@@H](C)C1 ZINC000358239809 148299270 /nfs/dbraw/zinc/29/92/70/148299270.db2.gz ZOEFIKPFZWHDSI-MAUKXSAKSA-N 2 1 306.450 2.532 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)CCC2 ZINC000358251564 148304237 /nfs/dbraw/zinc/30/42/37/148304237.db2.gz KRLXCTWLCMVXBS-RBUKOAKNSA-N 2 1 302.462 2.844 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000358251564 148304239 /nfs/dbraw/zinc/30/42/39/148304239.db2.gz KRLXCTWLCMVXBS-RBUKOAKNSA-N 2 1 302.462 2.844 20 0 DFADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358250072 148304347 /nfs/dbraw/zinc/30/43/47/148304347.db2.gz KWVVXLSTDPTXBH-LPHOPBHVSA-N 2 1 320.477 2.829 20 0 DFADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358250072 148304349 /nfs/dbraw/zinc/30/43/49/148304349.db2.gz KWVVXLSTDPTXBH-LPHOPBHVSA-N 2 1 320.477 2.829 20 0 DFADMP CSCC[C@@H](CO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358315118 148326309 /nfs/dbraw/zinc/32/63/09/148326309.db2.gz GITNHLUONGBNBJ-BBRMVZONSA-N 2 1 319.474 2.945 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)Nc2ccncc2[O-])cc1 ZINC000358340777 148334980 /nfs/dbraw/zinc/33/49/80/148334980.db2.gz QFKPFMDXQIGBPR-UHFFFAOYSA-N 2 1 313.401 2.693 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)nc1 ZINC000358351029 148338041 /nfs/dbraw/zinc/33/80/41/148338041.db2.gz HBHRBJYGCLIXPO-MJGOQNOKSA-N 2 1 324.472 2.828 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000358572577 148389441 /nfs/dbraw/zinc/38/94/41/148389441.db2.gz QPHSBMPEPBQUTH-SLFFLAALSA-N 2 1 313.489 2.582 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccncc2)[C@@H](C)C1 ZINC000247976795 286064638 /nfs/dbraw/zinc/06/46/38/286064638.db2.gz LDSKFGRHVBWLDF-JZXOWHBKSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncs2)[C@H](C)C1 ZINC000361484494 286064820 /nfs/dbraw/zinc/06/48/20/286064820.db2.gz JPHDBJHCBSAABN-KFWWJZLASA-N 2 1 311.495 2.931 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncs2)[C@H](C)C1 ZINC000361484494 286064821 /nfs/dbraw/zinc/06/48/21/286064821.db2.gz JPHDBJHCBSAABN-KFWWJZLASA-N 2 1 311.495 2.931 20 0 DFADMP C[C@H](NC[C@]1(O)CC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025941 149011407 /nfs/dbraw/zinc/01/14/07/149011407.db2.gz PYSTUJLKIBBTOW-KBXCAEBGSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025941 149011410 /nfs/dbraw/zinc/01/14/10/149011410.db2.gz PYSTUJLKIBBTOW-KBXCAEBGSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025941 149011412 /nfs/dbraw/zinc/01/14/12/149011412.db2.gz PYSTUJLKIBBTOW-KBXCAEBGSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025941 149011414 /nfs/dbraw/zinc/01/14/14/149011414.db2.gz PYSTUJLKIBBTOW-KBXCAEBGSA-N 2 1 306.450 2.581 20 0 DFADMP Nc1cccc(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000660446354 543526707 /nfs/dbraw/zinc/52/67/07/543526707.db2.gz DZTYZTYBDYIZPZ-KDURUIRLSA-N 2 1 307.441 2.833 20 0 DFADMP Nc1cccc(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000660446354 543526709 /nfs/dbraw/zinc/52/67/09/543526709.db2.gz DZTYZTYBDYIZPZ-KDURUIRLSA-N 2 1 307.441 2.833 20 0 DFADMP Nc1cccc(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000660446354 543526711 /nfs/dbraw/zinc/52/67/11/543526711.db2.gz DZTYZTYBDYIZPZ-KDURUIRLSA-N 2 1 307.441 2.833 20 0 DFADMP COCCNc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000361183960 149049416 /nfs/dbraw/zinc/04/94/16/149049416.db2.gz HMBLZWLUMOKWCD-RLFYNMQTSA-N 2 1 305.466 2.563 20 0 DFADMP Cc1cccc([C@@H](C)[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)c1 ZINC000361346307 149092065 /nfs/dbraw/zinc/09/20/65/149092065.db2.gz NTCIRSWBSHFDDF-MRXNPFEDSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@H]1C[C@H](NCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000361345146 149092245 /nfs/dbraw/zinc/09/22/45/149092245.db2.gz YCOYGDSWPOQKAV-PKOBYXMFSA-N 2 1 301.478 2.725 20 0 DFADMP Cc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361354208 149094309 /nfs/dbraw/zinc/09/43/09/149094309.db2.gz DSKQBQLADUPBOZ-CQSZACIVSA-N 2 1 323.506 2.650 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CCc2nn[nH]c2C1 ZINC000361389481 149103756 /nfs/dbraw/zinc/10/37/56/149103756.db2.gz JFAOZBYRROZTFI-UHFFFAOYSA-N 2 1 324.432 2.691 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361495211 149130389 /nfs/dbraw/zinc/13/03/89/149130389.db2.gz CQJMQSMBDGESGJ-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361495211 149130393 /nfs/dbraw/zinc/13/03/93/149130393.db2.gz CQJMQSMBDGESGJ-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+]1CCC[C@H]1CN(C)C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361495211 149130396 /nfs/dbraw/zinc/13/03/96/149130396.db2.gz CQJMQSMBDGESGJ-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1CO ZINC000361663887 149185017 /nfs/dbraw/zinc/18/50/17/149185017.db2.gz XWSPYRNGABHFAE-SJLPKXTDSA-N 2 1 304.478 2.705 20 0 DFADMP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1CO ZINC000361663887 149185020 /nfs/dbraw/zinc/18/50/20/149185020.db2.gz XWSPYRNGABHFAE-SJLPKXTDSA-N 2 1 304.478 2.705 20 0 DFADMP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1CO ZINC000361663887 149185023 /nfs/dbraw/zinc/18/50/23/149185023.db2.gz XWSPYRNGABHFAE-SJLPKXTDSA-N 2 1 304.478 2.705 20 0 DFADMP Cc1nnc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)o1 ZINC000361667380 149186586 /nfs/dbraw/zinc/18/65/86/149186586.db2.gz PEMANYSEBNVODL-GXTWGEPZSA-N 2 1 303.410 2.924 20 0 DFADMP Cc1nccn1CCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000361769096 149214005 /nfs/dbraw/zinc/21/40/05/149214005.db2.gz RZPMSIHBILPLLT-UHFFFAOYSA-N 2 1 313.449 2.862 20 0 DFADMP CC(C)[C@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000361767768 149214549 /nfs/dbraw/zinc/21/45/49/149214549.db2.gz QBKQJZGQPYSKKX-NZSAHSFTSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770599 149215241 /nfs/dbraw/zinc/21/52/41/149215241.db2.gz VWNUDRUDCJZUNU-BQFCYCMXSA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770599 149215242 /nfs/dbraw/zinc/21/52/42/149215242.db2.gz VWNUDRUDCJZUNU-BQFCYCMXSA-N 3 1 319.493 2.760 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccoc2)[C@H](C)C1 ZINC000361930930 149258338 /nfs/dbraw/zinc/25/83/38/149258338.db2.gz SQKPHDVKOOLSOJ-RYRKJORJSA-N 2 1 308.466 2.937 20 0 DFADMP CN(CC1CCN(c2cc[nH+]cc2)CC1)c1[nH+]cnc2[nH]ccc21 ZINC000362657405 149335577 /nfs/dbraw/zinc/33/55/77/149335577.db2.gz KEDJYCBDHHWHCA-UHFFFAOYSA-N 2 1 322.416 2.706 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351340163 286122477 /nfs/dbraw/zinc/12/24/77/286122477.db2.gz OBNYHDUILQGRGY-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351340163 286122479 /nfs/dbraw/zinc/12/24/79/286122479.db2.gz OBNYHDUILQGRGY-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351340163 286122482 /nfs/dbraw/zinc/12/24/82/286122482.db2.gz OBNYHDUILQGRGY-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351340163 286122485 /nfs/dbraw/zinc/12/24/85/286122485.db2.gz OBNYHDUILQGRGY-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000351474649 286129373 /nfs/dbraw/zinc/12/93/73/286129373.db2.gz GRARDNDPWWNWHP-IEBWSBKVSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000351474649 286129375 /nfs/dbraw/zinc/12/93/75/286129375.db2.gz GRARDNDPWWNWHP-IEBWSBKVSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000351474649 286129377 /nfs/dbraw/zinc/12/93/77/286129377.db2.gz GRARDNDPWWNWHP-IEBWSBKVSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000351474649 286129380 /nfs/dbraw/zinc/12/93/80/286129380.db2.gz GRARDNDPWWNWHP-IEBWSBKVSA-N 2 1 302.462 2.841 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+](C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000351521463 286142415 /nfs/dbraw/zinc/14/24/15/286142415.db2.gz JHIGNCGOGPAFJP-UYAOXDASSA-N 2 1 314.473 2.984 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+](C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000351521463 286142416 /nfs/dbraw/zinc/14/24/16/286142416.db2.gz JHIGNCGOGPAFJP-UYAOXDASSA-N 2 1 314.473 2.984 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000351521463 286142419 /nfs/dbraw/zinc/14/24/19/286142419.db2.gz JHIGNCGOGPAFJP-UYAOXDASSA-N 2 1 314.473 2.984 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000351521463 286142422 /nfs/dbraw/zinc/14/24/22/286142422.db2.gz JHIGNCGOGPAFJP-UYAOXDASSA-N 2 1 314.473 2.984 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351522981 286142895 /nfs/dbraw/zinc/14/28/95/286142895.db2.gz ZTTSNJRQDHFHMQ-MJGOQNOKSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000351522981 286142896 /nfs/dbraw/zinc/14/28/96/286142896.db2.gz ZTTSNJRQDHFHMQ-MJGOQNOKSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351522981 286142897 /nfs/dbraw/zinc/14/28/97/286142897.db2.gz ZTTSNJRQDHFHMQ-MJGOQNOKSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351522981 286142898 /nfs/dbraw/zinc/14/28/98/286142898.db2.gz ZTTSNJRQDHFHMQ-MJGOQNOKSA-N 2 1 304.478 2.703 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538085 286147071 /nfs/dbraw/zinc/14/70/71/286147071.db2.gz QUQLYGDKESMQFU-VQTJNVASSA-N 2 1 316.489 2.786 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538085 286147074 /nfs/dbraw/zinc/14/70/74/286147074.db2.gz QUQLYGDKESMQFU-VQTJNVASSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538085 286147077 /nfs/dbraw/zinc/14/70/77/286147077.db2.gz QUQLYGDKESMQFU-VQTJNVASSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538085 286147080 /nfs/dbraw/zinc/14/70/80/286147080.db2.gz QUQLYGDKESMQFU-VQTJNVASSA-N 2 1 316.489 2.786 20 0 DFADMP CC[C@H](Cc1ccccc1)[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000351544066 286148547 /nfs/dbraw/zinc/14/85/47/286148547.db2.gz UFIYLWBYSFVKDY-IEBWSBKVSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1 ZINC000351544066 286148548 /nfs/dbraw/zinc/14/85/48/286148548.db2.gz UFIYLWBYSFVKDY-IEBWSBKVSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@H](Cc1ccccc1)[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351544066 286148551 /nfs/dbraw/zinc/14/85/51/286148551.db2.gz UFIYLWBYSFVKDY-IEBWSBKVSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@H](Cc1ccccc1)[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351544066 286148553 /nfs/dbraw/zinc/14/85/53/286148553.db2.gz UFIYLWBYSFVKDY-IEBWSBKVSA-N 2 1 304.478 2.785 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)C[C@H]([NH3+])c1ccccc1 ZINC000371280292 150014983 /nfs/dbraw/zinc/01/49/83/150014983.db2.gz OQRMRMYLZWPHGL-SQNIBIBYSA-N 2 1 315.461 2.552 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322555 150022397 /nfs/dbraw/zinc/02/23/97/150022397.db2.gz ZTQNLSBTTQSAGD-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322555 150022401 /nfs/dbraw/zinc/02/24/01/150022401.db2.gz ZTQNLSBTTQSAGD-ROUUACIJSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cnn4ccccc34)C2)c1 ZINC000371372937 150032574 /nfs/dbraw/zinc/03/25/74/150032574.db2.gz JBXXLMLZJQJZBF-MRXNPFEDSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cnn4ccccc34)C2)c1 ZINC000371372937 150032575 /nfs/dbraw/zinc/03/25/75/150032575.db2.gz JBXXLMLZJQJZBF-MRXNPFEDSA-N 2 1 321.428 2.972 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402793 150040271 /nfs/dbraw/zinc/04/02/71/150040271.db2.gz BQMWAMKGOBUAKB-NZSAHSFTSA-N 2 1 322.456 2.993 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1CN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402793 150040278 /nfs/dbraw/zinc/04/02/78/150040278.db2.gz BQMWAMKGOBUAKB-NZSAHSFTSA-N 2 1 322.456 2.993 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371402793 150040281 /nfs/dbraw/zinc/04/02/81/150040281.db2.gz BQMWAMKGOBUAKB-NZSAHSFTSA-N 2 1 322.456 2.993 20 0 DFADMP CCOC(=O)CCCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371418648 150043553 /nfs/dbraw/zinc/04/35/53/150043553.db2.gz PPLGCBMCFDXAMT-MRXNPFEDSA-N 2 1 322.493 2.916 20 0 DFADMP Cn1cc(-c2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000371429397 150045029 /nfs/dbraw/zinc/04/50/29/150045029.db2.gz DBQRXGDJDJPVAJ-QZTJIDSGSA-N 2 1 310.445 2.804 20 0 DFADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1F ZINC000371468841 150051324 /nfs/dbraw/zinc/05/13/24/150051324.db2.gz BSCCYZJYZMLPMP-RYQLBKOJSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)ccc1F ZINC000371468841 150051327 /nfs/dbraw/zinc/05/13/27/150051327.db2.gz BSCCYZJYZMLPMP-RYQLBKOJSA-N 2 1 306.425 2.818 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371479149 150052851 /nfs/dbraw/zinc/05/28/51/150052851.db2.gz DLKYDGVZAYDPMO-HIFRSBDPSA-N 2 1 313.401 2.538 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000371479151 150053244 /nfs/dbraw/zinc/05/32/44/150053244.db2.gz DLKYDGVZAYDPMO-ZFWWWQNUSA-N 2 1 313.401 2.538 20 0 DFADMP Cc1nc(CC[N@H+](C)C2CCN(c3ccccn3)CC2)cs1 ZINC000372426543 150171000 /nfs/dbraw/zinc/17/10/00/150171000.db2.gz WSDMIMUQRABZIH-UHFFFAOYSA-N 2 1 316.474 2.990 20 0 DFADMP Cc1ccc(F)cc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372459838 150176308 /nfs/dbraw/zinc/17/63/08/150176308.db2.gz JKPLDSVNKITVDS-LJQANCHMSA-N 2 1 319.468 2.734 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351604898 286166967 /nfs/dbraw/zinc/16/69/67/286166967.db2.gz FUCFVAPIYSPIKG-DFQSSKMNSA-N 2 1 316.489 2.833 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351604898 286166969 /nfs/dbraw/zinc/16/69/69/286166969.db2.gz FUCFVAPIYSPIKG-DFQSSKMNSA-N 2 1 316.489 2.833 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H](c3nccn3C)C2)c1 ZINC000373105760 150230952 /nfs/dbraw/zinc/23/09/52/150230952.db2.gz BUZVGACKYIEHNC-INIZCTEOSA-N 2 1 312.417 2.758 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000373763208 150253480 /nfs/dbraw/zinc/25/34/80/150253480.db2.gz MOFSPLTZZYZHME-FMKPAKJESA-N 2 1 318.465 2.616 20 0 DFADMP CC(C)(C)c1cnc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000373851131 150268703 /nfs/dbraw/zinc/26/87/03/150268703.db2.gz PDPZTYYHCRCBPL-LBPRGKRZSA-N 2 1 304.463 2.989 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]CCSCc1ccccc1)CC2 ZINC000374049141 150297577 /nfs/dbraw/zinc/29/75/77/150297577.db2.gz GNUDAKVVKAZTOL-INIZCTEOSA-N 2 1 301.459 2.969 20 0 DFADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)Cc3ccco3)CC2)CC1 ZINC000374283751 150336590 /nfs/dbraw/zinc/33/65/90/150336590.db2.gz MSZTWUQMHYGUCM-UHFFFAOYSA-N 2 1 319.493 2.908 20 0 DFADMP C[N@H+](C[C@H]1CC12CC[NH+](Cc1nc(C3CC3)no1)CC2)C1CC1 ZINC000374318378 150343535 /nfs/dbraw/zinc/34/35/35/150343535.db2.gz QPHRQBCCGIIPAG-CQSZACIVSA-N 2 1 316.449 2.643 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1nc(C3CC3)no1)CC2)C1CC1 ZINC000374318378 150343537 /nfs/dbraw/zinc/34/35/37/150343537.db2.gz QPHRQBCCGIIPAG-CQSZACIVSA-N 2 1 316.449 2.643 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322232 150344254 /nfs/dbraw/zinc/34/42/54/150344254.db2.gz CLVAKUQSUXLERE-AZUAARDMSA-N 2 1 315.505 2.577 20 0 DFADMP CCCCCNC(=O)C[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000374403098 150360620 /nfs/dbraw/zinc/36/06/20/150360620.db2.gz GYEHNPLZPRYYTQ-MRXNPFEDSA-N 2 1 320.481 2.950 20 0 DFADMP Cc1cccc(OCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374426281 150365198 /nfs/dbraw/zinc/36/51/98/150365198.db2.gz DBFIJHUSSQKPKA-QXAKKESOSA-N 2 1 318.461 2.557 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000374526804 150373569 /nfs/dbraw/zinc/37/35/69/150373569.db2.gz LSGSKBOBTXHBCG-CAMMJAKZSA-N 2 1 302.462 2.912 20 0 DFADMP CCc1nocc1C[NH+]1CCC(CCC[N@@H+](C)CCOC)CC1 ZINC000351687256 286193820 /nfs/dbraw/zinc/19/38/20/286193820.db2.gz VMCKPXVPLCLKBF-UHFFFAOYSA-N 2 1 323.481 2.807 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000351781938 286217275 /nfs/dbraw/zinc/21/72/75/286217275.db2.gz IWTBMGWRJLQQFK-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2ccc3c(c2)OC(F)(F)O3)C1 ZINC000352004733 286267262 /nfs/dbraw/zinc/26/72/62/286267262.db2.gz PRMBTQGROCCYSZ-ZDUSSCGKSA-N 2 1 312.360 2.782 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H]2CO)C12CCCC2 ZINC000245914065 286280462 /nfs/dbraw/zinc/28/04/62/286280462.db2.gz PSLZIINEUDTFMR-RCCFBDPRSA-N 2 1 324.509 2.551 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352137776 286301737 /nfs/dbraw/zinc/30/17/37/286301737.db2.gz QNBSGSVDKPRGAT-ZIAGYGMSSA-N 2 1 314.424 2.606 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000352155181 286307103 /nfs/dbraw/zinc/30/71/03/286307103.db2.gz CTOOJBAQAHXNJE-IAGOWNOFSA-N 2 1 311.514 2.924 20 0 DFADMP COc1ccccc1CC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352241470 286326559 /nfs/dbraw/zinc/32/65/59/286326559.db2.gz MTSPYWCMIQRCBL-UHFFFAOYSA-N 2 1 305.447 2.546 20 0 DFADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268825501 286356218 /nfs/dbraw/zinc/35/62/18/286356218.db2.gz JACOWZUDZMXSNW-HOTGVXAUSA-N 2 1 320.477 2.624 20 0 DFADMP CC(C)[NH+]1CCC(N(C)c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000352406944 286365577 /nfs/dbraw/zinc/36/55/77/286365577.db2.gz FSLSJHBQNNFYRR-UHFFFAOYSA-N 2 1 317.481 2.776 20 0 DFADMP [NH3+]CCC[N@@H+](CCC(=O)Nc1ccccc1F)CC1CCCC1 ZINC000352489002 286386474 /nfs/dbraw/zinc/38/64/74/286386474.db2.gz WWPHLGRXFRNXOS-UHFFFAOYSA-N 2 1 321.440 2.995 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1nc(-c2ccco2)no1)CC1CCCC1 ZINC000352489032 286386526 /nfs/dbraw/zinc/38/65/26/286386526.db2.gz XCJHDKSRUFRSTL-UHFFFAOYSA-N 2 1 304.394 2.671 20 0 DFADMP [NH3+]CCC[N@H+](Cc1nc(-c2ccco2)no1)CC1CCCC1 ZINC000352489032 286386527 /nfs/dbraw/zinc/38/65/27/286386527.db2.gz XCJHDKSRUFRSTL-UHFFFAOYSA-N 2 1 304.394 2.671 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000352504072 286391280 /nfs/dbraw/zinc/39/12/80/286391280.db2.gz MWWGYLJNOXSCTE-OAHLLOKOSA-N 2 1 323.868 2.550 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000352495171 286388163 /nfs/dbraw/zinc/38/81/63/286388163.db2.gz JERZOFYDIZGIHN-HKUYNNGSSA-N 2 1 318.461 2.948 20 0 DFADMP C[C@H](NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)c1cccs1 ZINC000352496741 286388801 /nfs/dbraw/zinc/38/88/01/286388801.db2.gz YZTBTYNYOQOUFM-AWEZNQCLSA-N 2 1 323.506 2.766 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352487241 286385970 /nfs/dbraw/zinc/38/59/70/286385970.db2.gz BOJLPGIPOGUFEA-AWEZNQCLSA-N 2 1 307.413 2.666 20 0 DFADMP C[C@H]1CCC[C@H](C)N1C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352524516 286397826 /nfs/dbraw/zinc/39/78/26/286397826.db2.gz BPGQGSBUTDKIOS-HOTGVXAUSA-N 2 1 309.498 2.617 20 0 DFADMP COCC[C@@H](Cc1ccco1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352723092 286451416 /nfs/dbraw/zinc/45/14/16/286451416.db2.gz HFMWYGVEECGMHE-ZDUSSCGKSA-N 2 1 323.462 2.535 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+](CC2CCCCC2)CC1 ZINC000353007277 286526626 /nfs/dbraw/zinc/52/66/26/286526626.db2.gz JYCCIBOBYLPEPR-UHFFFAOYSA-N 2 1 312.498 2.626 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246271231 158083003 /nfs/dbraw/zinc/08/30/03/158083003.db2.gz APLAOMZAHAFQLF-RLFYNMQTSA-N 2 1 306.450 2.782 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246944362 158106977 /nfs/dbraw/zinc/10/69/77/158106977.db2.gz HUBJROOUUKEGPK-SJORKVTESA-N 3 1 319.493 2.619 20 0 DFADMP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246944362 158106979 /nfs/dbraw/zinc/10/69/79/158106979.db2.gz HUBJROOUUKEGPK-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246944362 158106980 /nfs/dbraw/zinc/10/69/80/158106980.db2.gz HUBJROOUUKEGPK-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000247022647 158113899 /nfs/dbraw/zinc/11/38/99/158113899.db2.gz NADBBPJWJOTMEA-QXAKKESOSA-N 2 1 302.462 2.566 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)C1 ZINC000247025077 158114216 /nfs/dbraw/zinc/11/42/16/158114216.db2.gz PKXHOLKDMFCHDO-YOEHRIQHSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@@H](C)C1 ZINC000247025077 158114218 /nfs/dbraw/zinc/11/42/18/158114218.db2.gz PKXHOLKDMFCHDO-YOEHRIQHSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000247186981 158121910 /nfs/dbraw/zinc/12/19/10/158121910.db2.gz VOVHQKGUSZNGMC-QFBILLFUSA-N 2 1 312.461 2.735 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCOC)cc2)[C@@H](C)C1 ZINC000247180259 158122148 /nfs/dbraw/zinc/12/21/48/158122148.db2.gz RWXLGCJWELRVOJ-MAUKXSAKSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247221634 158123441 /nfs/dbraw/zinc/12/34/41/158123441.db2.gz RHLVXLNGXLSEJV-GOEBONIOSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247221634 158123442 /nfs/dbraw/zinc/12/34/42/158123442.db2.gz RHLVXLNGXLSEJV-GOEBONIOSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000247221634 158123443 /nfs/dbraw/zinc/12/34/43/158123443.db2.gz RHLVXLNGXLSEJV-GOEBONIOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000247930406 158151395 /nfs/dbraw/zinc/15/13/95/158151395.db2.gz BZZFSSJRFXYUAU-CVEARBPZSA-N 2 1 306.450 2.583 20 0 DFADMP CC[C@@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961275 158153932 /nfs/dbraw/zinc/15/39/32/158153932.db2.gz GGAICTPKPXLIFT-IPMKNSEASA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247961275 158153933 /nfs/dbraw/zinc/15/39/33/158153933.db2.gz GGAICTPKPXLIFT-IPMKNSEASA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247961275 158153936 /nfs/dbraw/zinc/15/39/36/158153936.db2.gz GGAICTPKPXLIFT-IPMKNSEASA-N 2 1 302.462 2.744 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCOc2ccccc2)[C@@H](C)C1 ZINC000248026418 158156751 /nfs/dbraw/zinc/15/67/51/158156751.db2.gz PBYKRZYBZIABEH-PKOBYXMFSA-N 2 1 320.477 2.792 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](N[C@@H](C)c2ccccn2)[C@@H](C)C1 ZINC000248040391 158159183 /nfs/dbraw/zinc/15/91/83/158159183.db2.gz STGYOIDWDDAEEC-ULQDDVLXSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2ccccn2)[C@@H](C)C1 ZINC000248040391 158159185 /nfs/dbraw/zinc/15/91/85/158159185.db2.gz STGYOIDWDDAEEC-ULQDDVLXSA-N 2 1 305.466 2.869 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062006 158159207 /nfs/dbraw/zinc/15/92/07/158159207.db2.gz LWQYLQOBSVKJIO-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062006 158159209 /nfs/dbraw/zinc/15/92/09/158159209.db2.gz LWQYLQOBSVKJIO-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@H]21 ZINC000248062006 158159211 /nfs/dbraw/zinc/15/92/11/158159211.db2.gz LWQYLQOBSVKJIO-IEBWSBKVSA-N 2 1 310.445 2.788 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c1 ZINC000248215886 158166112 /nfs/dbraw/zinc/16/61/12/158166112.db2.gz ZQUMUMLHOSNDEM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248215886 158166117 /nfs/dbraw/zinc/16/61/17/158166117.db2.gz ZQUMUMLHOSNDEM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000248215886 158166119 /nfs/dbraw/zinc/16/61/19/158166119.db2.gz ZQUMUMLHOSNDEM-WMZOPIPTSA-N 2 1 301.434 2.561 20 0 DFADMP CCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248389174 158170677 /nfs/dbraw/zinc/17/06/77/158170677.db2.gz AOALRBVAGMHLFR-GUDVDZBRSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248414053 158173640 /nfs/dbraw/zinc/17/36/40/158173640.db2.gz MBEMJSNVAZOCAI-MTQWCTHYSA-N 2 1 316.489 2.894 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000248418024 158175087 /nfs/dbraw/zinc/17/50/87/158175087.db2.gz SAEUNOXVGQXAMS-WCIQWLHISA-N 2 1 314.473 2.912 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@H+]1C ZINC000248553318 158183542 /nfs/dbraw/zinc/18/35/42/158183542.db2.gz JNVPVZDXJPXBLM-FSPWUOQZSA-N 2 1 316.424 2.721 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000248627820 158190589 /nfs/dbraw/zinc/19/05/89/158190589.db2.gz FSNRUUGKPDLDJO-NQYYFHDYSA-N 2 1 301.478 2.894 20 0 DFADMP COc1ncccc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000248654627 158194826 /nfs/dbraw/zinc/19/48/26/158194826.db2.gz AQYAUHAINHWCBY-WMLDXEAASA-N 2 1 301.434 2.539 20 0 DFADMP CCC[C@@H]1CN(c2cc[nH+]c(C)c2Cl)CC[N@H+]1CCOC ZINC000355100541 158274656 /nfs/dbraw/zinc/27/46/56/158274656.db2.gz SDNYTSJPJMDNBE-CQSZACIVSA-N 2 1 311.857 2.981 20 0 DFADMP CC[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000355202227 158296786 /nfs/dbraw/zinc/29/67/86/158296786.db2.gz UNJAPTBFBIXUTQ-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@@H]1O ZINC000355202227 158296787 /nfs/dbraw/zinc/29/67/87/158296787.db2.gz UNJAPTBFBIXUTQ-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000355202227 158296788 /nfs/dbraw/zinc/29/67/88/158296788.db2.gz UNJAPTBFBIXUTQ-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@@H]1O ZINC000355202227 158296790 /nfs/dbraw/zinc/29/67/90/158296790.db2.gz UNJAPTBFBIXUTQ-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000356893187 158319042 /nfs/dbraw/zinc/31/90/42/158319042.db2.gz ILDWQZXYZKYJIG-LPHOPBHVSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCOC1 ZINC000356893187 158319045 /nfs/dbraw/zinc/31/90/45/158319045.db2.gz ILDWQZXYZKYJIG-LPHOPBHVSA-N 2 1 302.462 2.840 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000356903820 158320400 /nfs/dbraw/zinc/32/04/00/158320400.db2.gz SONKGLHPQQFVMW-MTFMMBMASA-N 2 1 316.489 2.895 20 0 DFADMP FC(F)(F)c1ncc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)s1 ZINC000357047371 158357009 /nfs/dbraw/zinc/35/70/09/158357009.db2.gz JONSSJZKISPWAA-NSHDSACASA-N 2 1 319.396 2.983 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC(C)C ZINC000357055438 158357820 /nfs/dbraw/zinc/35/78/20/158357820.db2.gz RJTQBFZVIKZLNU-JKSUJKDBSA-N 2 1 304.434 2.524 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)ccc1OC(C)C ZINC000357055438 158357823 /nfs/dbraw/zinc/35/78/23/158357823.db2.gz RJTQBFZVIKZLNU-JKSUJKDBSA-N 2 1 304.434 2.524 20 0 DFADMP c1coc(-c2cc(C[NH+]3CCC([C@H]4CC[NH2+]C4)CC3)no2)c1 ZINC000357078614 158360853 /nfs/dbraw/zinc/36/08/53/158360853.db2.gz LOZAVGDOSHGOSO-AWEZNQCLSA-N 2 1 301.390 2.756 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000357082411 158361315 /nfs/dbraw/zinc/36/13/15/158361315.db2.gz OFGOYTJAROUTOJ-RTBURBONSA-N 2 1 323.440 2.702 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cc2)c1 ZINC000357082411 158361317 /nfs/dbraw/zinc/36/13/17/158361317.db2.gz OFGOYTJAROUTOJ-RTBURBONSA-N 2 1 323.440 2.702 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)n1 ZINC000357086991 158363418 /nfs/dbraw/zinc/36/34/18/158363418.db2.gz RZZTZEJVWSFJCG-ROUUACIJSA-N 2 1 310.445 2.530 20 0 DFADMP O=C(CC[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1cccc2ccccc21 ZINC000357087390 158363437 /nfs/dbraw/zinc/36/34/37/158363437.db2.gz NOAVRBRKPDMVNV-IAGOWNOFSA-N 2 1 323.440 2.710 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1)Nc1cccc2ccccc21 ZINC000357087390 158363440 /nfs/dbraw/zinc/36/34/40/158363440.db2.gz NOAVRBRKPDMVNV-IAGOWNOFSA-N 2 1 323.440 2.710 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358670747 158397569 /nfs/dbraw/zinc/39/75/69/158397569.db2.gz WVOGERNTSWJGKM-ZIFCJYIRSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1ccccc1Cc1noc(C[NH+]2CCC([C@H](C)[NH3+])CC2)n1 ZINC000430968320 296816032 /nfs/dbraw/zinc/81/60/32/296816032.db2.gz XUNSUWBENUCZME-AWEZNQCLSA-N 2 1 314.433 2.528 20 0 DFADMP Cc1sc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1C ZINC000441203609 297175890 /nfs/dbraw/zinc/17/58/90/297175890.db2.gz OWAWEBGIYVGKEL-UHFFFAOYSA-N 2 1 323.506 2.885 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025944 287040212 /nfs/dbraw/zinc/04/02/12/287040212.db2.gz PYSTUJLKIBBTOW-RDTXWAMCSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025944 287040215 /nfs/dbraw/zinc/04/02/15/287040215.db2.gz PYSTUJLKIBBTOW-RDTXWAMCSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)Cc1ccccc1 ZINC000188902061 287112466 /nfs/dbraw/zinc/11/24/66/287112466.db2.gz OXGFUDFMGQIQAQ-PSBWJHGTSA-N 2 1 304.478 2.689 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](C)Oc2ccccc2OC)[C@H](C)C1 ZINC000129569711 196059107 /nfs/dbraw/zinc/05/91/07/196059107.db2.gz LPHKUJVRBUQDGI-BZUAXINKSA-N 2 1 306.450 2.782 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130732784 196105188 /nfs/dbraw/zinc/10/51/88/196105188.db2.gz YVQURIGMPNUQNE-ROUUACIJSA-N 2 1 302.462 2.759 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000131002877 196130981 /nfs/dbraw/zinc/13/09/81/196130981.db2.gz UDAREOFAKYNTQO-GOSISDBHSA-N 2 1 317.477 2.870 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cnn2C)c1 ZINC000131208257 196149184 /nfs/dbraw/zinc/14/91/84/196149184.db2.gz FHXZOSNIOMMOPL-UHFFFAOYSA-N 2 1 306.841 2.815 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2c(Cl)cnn2C)c1 ZINC000131208257 196149185 /nfs/dbraw/zinc/14/91/85/196149185.db2.gz FHXZOSNIOMMOPL-UHFFFAOYSA-N 2 1 306.841 2.815 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H](C)C1 ZINC000131404956 196165860 /nfs/dbraw/zinc/16/58/60/196165860.db2.gz IPIPTGZDIBKQTG-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H](C)C1 ZINC000131404956 196165861 /nfs/dbraw/zinc/16/58/61/196165861.db2.gz IPIPTGZDIBKQTG-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423675 196168236 /nfs/dbraw/zinc/16/82/36/196168236.db2.gz YSOWXJAAVPVKEH-BFYDXBDKSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423675 196168237 /nfs/dbraw/zinc/16/82/37/196168237.db2.gz YSOWXJAAVPVKEH-BFYDXBDKSA-N 2 1 302.466 2.500 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CCC[N@H+]2Cc2ccccc2)cc1 ZINC000131437043 196169250 /nfs/dbraw/zinc/16/92/50/196169250.db2.gz PMIUIFBBMLPLRW-GOSISDBHSA-N 2 1 309.413 2.748 20 0 DFADMP CC[C@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000132618535 196270601 /nfs/dbraw/zinc/27/06/01/196270601.db2.gz VFBKRZQERDOOLA-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CCOC(=O)CCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000132710864 196277354 /nfs/dbraw/zinc/27/73/54/196277354.db2.gz JUXJGGOMJWQYOW-INIZCTEOSA-N 2 1 319.449 2.857 20 0 DFADMP CCOC(=O)CCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000132710864 196277355 /nfs/dbraw/zinc/27/73/55/196277355.db2.gz JUXJGGOMJWQYOW-INIZCTEOSA-N 2 1 319.449 2.857 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000133090967 196310842 /nfs/dbraw/zinc/31/08/42/196310842.db2.gz FEHNJTWVTSABNZ-LSDHHAIUSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000358361232 287288682 /nfs/dbraw/zinc/28/86/82/287288682.db2.gz AWAGWSZTLOADAB-VHDGCEQUSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H](CO)CC(F)(F)F)CC1 ZINC000358361343 287289374 /nfs/dbraw/zinc/28/93/74/287289374.db2.gz BNBSFYICXSHDNX-SNPRPXQTSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377698808 287307127 /nfs/dbraw/zinc/30/71/27/287307127.db2.gz MQCQFEINJZJHLV-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377698808 287307128 /nfs/dbraw/zinc/30/71/28/287307128.db2.gz MQCQFEINJZJHLV-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC1 ZINC000358361230 287311476 /nfs/dbraw/zinc/31/14/76/287311476.db2.gz AWAGWSZTLOADAB-BPLDGKMQSA-N 2 1 322.415 2.932 20 0 DFADMP Cn1ncc(C(F)(F)F)c1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000667544031 543626233 /nfs/dbraw/zinc/62/62/33/543626233.db2.gz TYTLDTPIHKMESR-UHFFFAOYSA-N 2 1 318.387 2.603 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2Cc2cnc3n2CCC3)n1 ZINC000667611802 543640837 /nfs/dbraw/zinc/64/08/37/543640837.db2.gz CDNAWIBJBNHNLX-MRXNPFEDSA-N 2 1 313.449 2.697 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCCN2Cc2cnc3n2CCC3)n1 ZINC000667611802 543640838 /nfs/dbraw/zinc/64/08/38/543640838.db2.gz CDNAWIBJBNHNLX-MRXNPFEDSA-N 2 1 313.449 2.697 20 0 DFADMP CCOC[C@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667639838 543647498 /nfs/dbraw/zinc/64/74/98/543647498.db2.gz CNMQNQJAJZTMRA-HNNXBMFYSA-N 2 1 300.406 2.516 20 0 DFADMP CCOC[C@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667639838 543647501 /nfs/dbraw/zinc/64/75/01/543647501.db2.gz CNMQNQJAJZTMRA-HNNXBMFYSA-N 2 1 300.406 2.516 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C[C@@H]1C ZINC000667664099 543654068 /nfs/dbraw/zinc/65/40/68/543654068.db2.gz CITXGEUWXOQMAR-RDJZCZTQSA-N 2 1 313.449 2.572 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667708602 543664718 /nfs/dbraw/zinc/66/47/18/543664718.db2.gz HLROZADKRRTDDK-HZPDHXFCSA-N 2 1 312.417 2.516 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667708602 543664719 /nfs/dbraw/zinc/66/47/19/543664719.db2.gz HLROZADKRRTDDK-HZPDHXFCSA-N 2 1 312.417 2.516 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668063309 543731921 /nfs/dbraw/zinc/73/19/21/543731921.db2.gz JLEBNKQXCAMEHN-PKOBYXMFSA-N 2 1 318.461 2.770 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000668063309 543731923 /nfs/dbraw/zinc/73/19/23/543731923.db2.gz JLEBNKQXCAMEHN-PKOBYXMFSA-N 2 1 318.461 2.770 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)C1 ZINC000667961945 543713757 /nfs/dbraw/zinc/71/37/57/543713757.db2.gz BYWKFWWZUNOURA-DQEVTTJGSA-N 2 1 300.446 2.531 20 0 DFADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000667962779 543713991 /nfs/dbraw/zinc/71/39/91/543713991.db2.gz ZPTOHBKMNUKPLZ-GEALJGNFSA-N 2 1 314.473 2.922 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2ccn3cc(C)nc3c2)C[C@H]1C ZINC000668158627 543753324 /nfs/dbraw/zinc/75/33/24/543753324.db2.gz ZBOVVWKOEQOOCX-KGLIPLIRSA-N 2 1 315.421 2.589 20 0 DFADMP CCn1nccc1[C@@H]1OCCC[C@H]1C[N@@H+](CC)CCC[NH+](C)C ZINC000668166259 543756254 /nfs/dbraw/zinc/75/62/54/543756254.db2.gz WKNGXUWBLKMWEW-FUHWJXTLSA-N 2 1 322.497 2.644 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2ccc(Br)c(F)c2)C1 ZINC000668539947 543821067 /nfs/dbraw/zinc/82/10/67/543821067.db2.gz QYLWATLSCKUETA-UHFFFAOYSA-N 2 1 301.203 2.582 20 0 DFADMP CN(Cc1ccc(Br)c(F)c1)CC1C[NH+](C)C1 ZINC000668539947 543821071 /nfs/dbraw/zinc/82/10/71/543821071.db2.gz QYLWATLSCKUETA-UHFFFAOYSA-N 2 1 301.203 2.582 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)CC1CN(C)C1 ZINC000668539636 543821340 /nfs/dbraw/zinc/82/13/40/543821340.db2.gz FXEITTPIXDNDQI-UHFFFAOYSA-N 2 1 311.429 2.751 20 0 DFADMP COc1ccc(-c2ccncc2)cc1CN(C)CC1C[NH+](C)C1 ZINC000668539636 543821342 /nfs/dbraw/zinc/82/13/42/543821342.db2.gz FXEITTPIXDNDQI-UHFFFAOYSA-N 2 1 311.429 2.751 20 0 DFADMP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668566752 543828317 /nfs/dbraw/zinc/82/83/17/543828317.db2.gz PAWTVXKUSWGZBI-SFHVURJKSA-N 2 1 324.472 2.578 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668566752 543828321 /nfs/dbraw/zinc/82/83/21/543828321.db2.gz PAWTVXKUSWGZBI-SFHVURJKSA-N 2 1 324.472 2.578 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@](C)(C3CC3)C2)cc1 ZINC000668462445 543810735 /nfs/dbraw/zinc/81/07/35/543810735.db2.gz GEFWFJQUKSZIPG-LJQANCHMSA-N 2 1 318.461 2.628 20 0 DFADMP CCn1cc([C@@H](C)[NH2+]CCC[NH2+][C@H](C)c2cnn(CC)c2)cn1 ZINC000296017035 225477752 /nfs/dbraw/zinc/47/77/52/225477752.db2.gz LNNOFYAOGVNXCN-HUUCEWRRSA-N 2 1 318.469 2.511 20 0 DFADMP CC(C)[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738464 543857093 /nfs/dbraw/zinc/85/70/93/543857093.db2.gz DHUJVBNKFCQVNE-UXHICEINSA-N 2 1 316.489 2.957 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000668741664 543859221 /nfs/dbraw/zinc/85/92/21/543859221.db2.gz XOZGVYAOLVJGHA-IBGZPJMESA-N 2 1 302.462 2.643 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)cc1C ZINC000668741664 543859222 /nfs/dbraw/zinc/85/92/22/543859222.db2.gz XOZGVYAOLVJGHA-IBGZPJMESA-N 2 1 302.462 2.643 20 0 DFADMP C[C@@H]1CCC[C@@H](C)N1C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866707 287385790 /nfs/dbraw/zinc/38/57/90/287385790.db2.gz RUDHPQPHYFVOPH-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000668785591 543867624 /nfs/dbraw/zinc/86/76/24/543867624.db2.gz SOFLKRXCAKBUJJ-MRXNPFEDSA-N 2 1 301.434 2.711 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633592 226070081 /nfs/dbraw/zinc/07/00/81/226070081.db2.gz XOOHZTSLWBLWQZ-OQIJWPOYSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@@H](CO)C1 ZINC000296633592 226070084 /nfs/dbraw/zinc/07/00/84/226070084.db2.gz XOOHZTSLWBLWQZ-OQIJWPOYSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3COC(C)(C)C3)CC2)oc1C ZINC000669536532 543962147 /nfs/dbraw/zinc/96/21/47/543962147.db2.gz UVDGULPWSQJWKZ-INIZCTEOSA-N 2 1 321.465 2.661 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCO2)cc1 ZINC000671309020 544066831 /nfs/dbraw/zinc/06/68/31/544066831.db2.gz GDUPGUBRDSBKKK-MOPGFXCFSA-N 2 1 318.461 2.770 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000671109049 544055951 /nfs/dbraw/zinc/05/59/51/544055951.db2.gz UWXNYZZAGJTGEY-FUHWJXTLSA-N 2 1 304.478 2.954 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@H]2CCC[C@@H]21 ZINC000671743972 544104950 /nfs/dbraw/zinc/10/49/50/544104950.db2.gz KAVARJIRPOMHFU-HBFSDRIKSA-N 2 1 313.489 2.902 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@H](C)C1 ZINC000672619132 544143753 /nfs/dbraw/zinc/14/37/53/544143753.db2.gz JEJNDFSKGJAWDO-UNEWFSDZSA-N 2 1 310.869 2.736 20 0 DFADMP C[NH+](C)[C@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297364877 227070801 /nfs/dbraw/zinc/07/08/01/227070801.db2.gz GBLCUMWIIFHJSO-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716201 544193480 /nfs/dbraw/zinc/19/34/80/544193480.db2.gz SCNQIQBNJGUHES-LPHOPBHVSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716201 544193482 /nfs/dbraw/zinc/19/34/82/544193482.db2.gz SCNQIQBNJGUHES-LPHOPBHVSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716201 544193484 /nfs/dbraw/zinc/19/34/84/544193484.db2.gz SCNQIQBNJGUHES-LPHOPBHVSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716192 544193687 /nfs/dbraw/zinc/19/36/87/544193687.db2.gz SCNQIQBNJGUHES-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716192 544193690 /nfs/dbraw/zinc/19/36/90/544193690.db2.gz SCNQIQBNJGUHES-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCc2ccc(OC)cc2)[C@H](C)C1 ZINC000673716192 544193692 /nfs/dbraw/zinc/19/36/92/544193692.db2.gz SCNQIQBNJGUHES-APWZRJJASA-N 2 1 320.477 2.874 20 0 DFADMP COc1ccc(F)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000291066797 222110140 /nfs/dbraw/zinc/11/01/40/222110140.db2.gz QLJMTRBDUNXICI-HNNXBMFYSA-N 2 1 306.425 2.998 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@H](C)C1 ZINC000291210844 222224562 /nfs/dbraw/zinc/22/45/62/222224562.db2.gz MSMYZRXVYRYQQJ-RYRKJORJSA-N 2 1 319.468 2.972 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000291221044 222234742 /nfs/dbraw/zinc/23/47/42/222234742.db2.gz NJWJXNJCLUTSOL-PMPSAXMXSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H](C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1)[NH+](C)C ZINC000674284228 544228701 /nfs/dbraw/zinc/22/87/01/544228701.db2.gz OJLLHZJCZJEMIX-XJKSGUPXSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682777818 545913365 /nfs/dbraw/zinc/91/33/65/545913365.db2.gz SKYQGEFUCOIPPY-NTDBWNAOSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@@H](C)[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000682777818 545913368 /nfs/dbraw/zinc/91/33/68/545913368.db2.gz SKYQGEFUCOIPPY-NTDBWNAOSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@@H](C)[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000682777818 545913372 /nfs/dbraw/zinc/91/33/72/545913372.db2.gz SKYQGEFUCOIPPY-NTDBWNAOSA-N 2 1 304.478 2.846 20 0 DFADMP C[C@@H]1C[C@H](C)[C@@H](C)[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000682777818 545913373 /nfs/dbraw/zinc/91/33/73/545913373.db2.gz SKYQGEFUCOIPPY-NTDBWNAOSA-N 2 1 304.478 2.846 20 0 DFADMP c1ccc2c(c1)CC[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)C2 ZINC000675881113 544341277 /nfs/dbraw/zinc/34/12/77/544341277.db2.gz JHHRKKWAXDSGMB-WOJBJXKFSA-N 2 1 314.473 2.777 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(O)cc2)[C@H](C)C1 ZINC000675802539 544337861 /nfs/dbraw/zinc/33/78/61/544337861.db2.gz STANPDCLNBATEG-CRAIPNDOSA-N 2 1 306.450 2.619 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000442868238 297208880 /nfs/dbraw/zinc/20/88/80/297208880.db2.gz NJBLSFFJORPTCV-QZTJIDSGSA-N 2 1 307.526 2.963 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@H](C)c2ccncc2)[C@@H](C)C1 ZINC000675926272 544345034 /nfs/dbraw/zinc/34/50/34/544345034.db2.gz APAMHFOELKMEBE-LNLFQRSKSA-N 2 1 319.493 2.912 20 0 DFADMP Cc1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn1C ZINC000676038140 544350915 /nfs/dbraw/zinc/35/09/15/544350915.db2.gz NQKOBOATGQSGBG-UHFFFAOYSA-N 2 1 304.482 2.817 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000676126336 544358516 /nfs/dbraw/zinc/35/85/16/544358516.db2.gz NFQXAXPQBVGYIZ-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000676126335 544358557 /nfs/dbraw/zinc/35/85/57/544358557.db2.gz NFQXAXPQBVGYIZ-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP CCO[C@@H]1CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000676252552 544366180 /nfs/dbraw/zinc/36/61/80/544366180.db2.gz QYFFKKKUKVTHQI-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@@H](OCC)C2)C1 ZINC000676252552 544366182 /nfs/dbraw/zinc/36/61/82/544366182.db2.gz QYFFKKKUKVTHQI-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@@H](OCC)C2)C1 ZINC000676252552 544366183 /nfs/dbraw/zinc/36/61/83/544366183.db2.gz QYFFKKKUKVTHQI-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CC1(C)C[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CN1Cc1ccccc1 ZINC000677749951 544536963 /nfs/dbraw/zinc/53/69/63/544536963.db2.gz WKWOHTCHHDRUJM-ZWKOTPCHSA-N 2 1 324.472 2.841 20 0 DFADMP CC1(C)C[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CN1Cc1ccccc1 ZINC000677749949 544537288 /nfs/dbraw/zinc/53/72/88/544537288.db2.gz WKWOHTCHHDRUJM-QZTJIDSGSA-N 2 1 324.472 2.841 20 0 DFADMP Cc1csc(N2CC[N@@H+](CCCn3cc[nH+]c3C)C[C@@H]2C)n1 ZINC000677816922 544545973 /nfs/dbraw/zinc/54/59/73/544545973.db2.gz DWCIKJHTWPCDHU-AWEZNQCLSA-N 2 1 319.478 2.557 20 0 DFADMP Cc1csc(N2CC[N@H+](CCCn3cc[nH+]c3C)C[C@@H]2C)n1 ZINC000677816922 544545976 /nfs/dbraw/zinc/54/59/76/544545976.db2.gz DWCIKJHTWPCDHU-AWEZNQCLSA-N 2 1 319.478 2.557 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@H+](CC)C[C@@H]2C)o1 ZINC000677976041 544574226 /nfs/dbraw/zinc/57/42/26/544574226.db2.gz WCJVQZBKGXRLFO-GJZGRUSLSA-N 2 1 321.465 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[N@@H+](CC)C[C@@H]2C)o1 ZINC000677976041 544574230 /nfs/dbraw/zinc/57/42/30/544574230.db2.gz WCJVQZBKGXRLFO-GJZGRUSLSA-N 2 1 321.465 2.676 20 0 DFADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000438187229 297083952 /nfs/dbraw/zinc/08/39/52/297083952.db2.gz GPHJJVTWLLEMCJ-ZWKOTPCHSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000438187229 297083954 /nfs/dbraw/zinc/08/39/54/297083954.db2.gz GPHJJVTWLLEMCJ-ZWKOTPCHSA-N 2 1 304.478 2.895 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC000678046889 544588087 /nfs/dbraw/zinc/58/80/87/544588087.db2.gz YUNPXNLAGITQMP-CQSZACIVSA-N 2 1 324.469 2.509 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nc(C)no2)CC1 ZINC000678046889 544588092 /nfs/dbraw/zinc/58/80/92/544588092.db2.gz YUNPXNLAGITQMP-CQSZACIVSA-N 2 1 324.469 2.509 20 0 DFADMP COc1ccc(COCC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000678080068 544596780 /nfs/dbraw/zinc/59/67/80/544596780.db2.gz NAGITMXMZAYRGM-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP COc1ccc(COCC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000678080068 544596785 /nfs/dbraw/zinc/59/67/85/544596785.db2.gz NAGITMXMZAYRGM-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP COC[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678261036 544636395 /nfs/dbraw/zinc/63/63/95/544636395.db2.gz SABXMKAHUSBPKW-SFHVURJKSA-N 2 1 318.461 2.630 20 0 DFADMP CC[N@H+]1C[C@H](C)N(Cc2ccc(OCC[NH+](C)C)cc2)C[C@H]1C ZINC000678272216 544640494 /nfs/dbraw/zinc/64/04/94/544640494.db2.gz CODNHEQWKWHXOY-SJORKVTESA-N 2 1 319.493 2.542 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000678544739 544690023 /nfs/dbraw/zinc/69/00/23/544690023.db2.gz FDNPITZCUNBJPK-RDJZCZTQSA-N 2 1 303.450 2.684 20 0 DFADMP CCn1cnnc1CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000678586625 544696115 /nfs/dbraw/zinc/69/61/15/544696115.db2.gz CJPLMDJDZVGNSH-CQSZACIVSA-N 2 1 324.432 2.685 20 0 DFADMP OC[C@@H](CC1CC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000678606100 544701236 /nfs/dbraw/zinc/70/12/36/544701236.db2.gz GSPIFWKKACJGMV-YGFFAISXSA-N 2 1 314.473 2.933 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1)CC(C)C ZINC000678652349 544708280 /nfs/dbraw/zinc/70/82/80/544708280.db2.gz ARUCGPWOCNFGNR-INIZCTEOSA-N 2 1 311.514 2.543 20 0 DFADMP C[C@@H](CCc1ccccc1)C[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000678954533 544756182 /nfs/dbraw/zinc/75/61/82/544756182.db2.gz FPOFUOJJIPZENU-IBGZPJMESA-N 2 1 317.521 2.873 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C(C)(C)O ZINC000679016807 544768085 /nfs/dbraw/zinc/76/80/85/544768085.db2.gz RDGJUUIJOMNOTN-AWEZNQCLSA-N 2 1 308.441 2.582 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2CCc3nc(-c4ccccc4)ncc3C2)CC1 ZINC000679025748 544769794 /nfs/dbraw/zinc/76/97/94/544769794.db2.gz UQCCCVLXDPEQEP-SFHVURJKSA-N 2 1 322.456 2.685 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000679024736 544770288 /nfs/dbraw/zinc/77/02/88/544770288.db2.gz JHBRDHSETVJWNO-JKSUJKDBSA-N 2 1 312.461 2.815 20 0 DFADMP COc1cc(F)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000679023833 544770347 /nfs/dbraw/zinc/77/03/47/544770347.db2.gz HRXACLBNSHVXHJ-VXGBXAGGSA-N 2 1 319.380 2.705 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000679036637 544772758 /nfs/dbraw/zinc/77/27/58/544772758.db2.gz OFFDCNFMUCZETO-KRWDZBQOSA-N 2 1 308.853 2.837 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCCC[C@@H]2O)cc1 ZINC000679359349 544841518 /nfs/dbraw/zinc/84/15/18/544841518.db2.gz BQUUDESOYIOEMI-MJGOQNOKSA-N 2 1 320.477 2.610 20 0 DFADMP CC[C@@H](C[NH2+]C1CCN(c2nccs2)CC1)[NH+]1CCCC1 ZINC000679730647 544906908 /nfs/dbraw/zinc/90/69/08/544906908.db2.gz VPHKXAGARCUTKE-HNNXBMFYSA-N 2 1 308.495 2.576 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(Nc2cc[nH+]cc2C(N)=O)CC1 ZINC000302206270 230161164 /nfs/dbraw/zinc/16/11/64/230161164.db2.gz DQQWXJBFHVLYPI-UHFFFAOYSA-N 2 1 324.428 2.565 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000060453413 425898666 /nfs/dbraw/zinc/89/86/66/425898666.db2.gz FUAZXBLGDQGBDD-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP CC(C)=CC[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000066534171 425904775 /nfs/dbraw/zinc/90/47/75/425904775.db2.gz SZOBZNLTJFGJQQ-UHFFFAOYSA-N 2 1 301.478 2.702 20 0 DFADMP COc1ccccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000067453019 425910884 /nfs/dbraw/zinc/91/08/84/425910884.db2.gz ZLPZGIVXRLCDLN-IYBDPMFKSA-N 2 1 306.450 2.674 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2ccnc2)cc1F ZINC000124462379 425921305 /nfs/dbraw/zinc/92/13/05/425921305.db2.gz UVWWTEBQKZINBF-AWEZNQCLSA-N 2 1 318.396 2.680 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000124487405 425922390 /nfs/dbraw/zinc/92/23/90/425922390.db2.gz IGJIXEYGZAHLDN-QGZVFWFLSA-N 2 1 321.534 2.989 20 0 DFADMP CCCCC(=O)N(C)[C@@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124613809 425928984 /nfs/dbraw/zinc/92/89/84/425928984.db2.gz IIEUBUBSLODNKV-QZTJIDSGSA-N 2 1 323.525 2.972 20 0 DFADMP Cc1cccc(C[NH+]2CCN(CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000124706349 425934370 /nfs/dbraw/zinc/93/43/70/425934370.db2.gz LFDLHUCWYUUKQI-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2ccc(Br)s2)CC1 ZINC000051756182 267414198 /nfs/dbraw/zinc/41/41/98/267414198.db2.gz KIAOAYHGAQFFNS-UHFFFAOYSA-N 2 1 303.269 2.942 20 0 DFADMP O[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000000152443 425540346 /nfs/dbraw/zinc/54/03/46/425540346.db2.gz CENCMKFNRCQRPR-FQEVSTJZSA-N 2 1 310.441 2.974 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000037484256 425848429 /nfs/dbraw/zinc/84/84/29/425848429.db2.gz NZEZAOWJMPKXEA-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)s2)C1 ZINC000037484256 425848430 /nfs/dbraw/zinc/84/84/30/425848430.db2.gz NZEZAOWJMPKXEA-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000191501184 268002918 /nfs/dbraw/zinc/00/29/18/268002918.db2.gz YAWVIHWILHEGJK-HNNXBMFYSA-N 2 1 322.497 2.851 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)CC ZINC000191501184 268002921 /nfs/dbraw/zinc/00/29/21/268002921.db2.gz YAWVIHWILHEGJK-HNNXBMFYSA-N 2 1 322.497 2.851 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000192440148 268036509 /nfs/dbraw/zinc/03/65/09/268036509.db2.gz MDVRPCALKBZLCC-KWJBXHGQSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C1CCC([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000192440148 268036511 /nfs/dbraw/zinc/03/65/11/268036511.db2.gz MDVRPCALKBZLCC-KWJBXHGQSA-N 2 1 310.482 2.674 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2ccc3c(c2)sc(=O)n3C)CC[N@H+]1C ZINC000192625194 268043606 /nfs/dbraw/zinc/04/36/06/268043606.db2.gz BVESLBMCRIOTHN-OCCSQVGLSA-N 2 1 319.474 2.515 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)sc(=O)n3C)CCN1C ZINC000192625194 268043607 /nfs/dbraw/zinc/04/36/07/268043607.db2.gz BVESLBMCRIOTHN-OCCSQVGLSA-N 2 1 319.474 2.515 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C[C@@H](C)c2nccs2)CC1 ZINC000192795079 268049222 /nfs/dbraw/zinc/04/92/22/268049222.db2.gz OJARYLRJJKSYIC-MRXNPFEDSA-N 2 1 324.538 2.595 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2ncnc3c2cnn3C)C1 ZINC000194003926 268087068 /nfs/dbraw/zinc/08/70/68/268087068.db2.gz VDGCNKJZYSKWBF-OKILXGFUSA-N 2 1 316.453 2.533 20 0 DFADMP C[N@@H+]1C[C@H]2CN(Cc3ccc(-c4ccncc4)cc3F)C[C@H]2C1 ZINC000194543591 268106401 /nfs/dbraw/zinc/10/64/01/268106401.db2.gz XDEYCBAVGNUESK-HDICACEKSA-N 2 1 311.404 2.881 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C1(C[NH3+])CCCC1 ZINC000236654119 268148234 /nfs/dbraw/zinc/14/82/34/268148234.db2.gz STHJHLWRTKOWHT-UHFFFAOYSA-N 2 1 317.477 2.662 20 0 DFADMP C[NH+]1CCC([NH2+]C[C@H](O)c2c(Cl)cccc2Cl)CC1 ZINC000267257662 268180621 /nfs/dbraw/zinc/18/06/21/268180621.db2.gz PPJZYNISZIVQBC-ZDUSSCGKSA-N 2 1 303.233 2.711 20 0 DFADMP C[N@@H+]1CCC[C@H]2C[NH+](Cc3cccc4nsnc43)CC[C@@H]21 ZINC000268946444 268186889 /nfs/dbraw/zinc/18/68/89/268186889.db2.gz BHKACUJZQOHLMN-WFASDCNBSA-N 2 1 302.447 2.607 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3cccc4nsnc43)CC[C@@H]21 ZINC000268946444 268186890 /nfs/dbraw/zinc/18/68/90/268186890.db2.gz BHKACUJZQOHLMN-WFASDCNBSA-N 2 1 302.447 2.607 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3cccc4nsnc43)CC[C@@H]21 ZINC000268946444 268186891 /nfs/dbraw/zinc/18/68/91/268186891.db2.gz BHKACUJZQOHLMN-WFASDCNBSA-N 2 1 302.447 2.607 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3cccc4nsnc43)CC[C@@H]21 ZINC000268946444 268186892 /nfs/dbraw/zinc/18/68/92/268186892.db2.gz BHKACUJZQOHLMN-WFASDCNBSA-N 2 1 302.447 2.607 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000270603618 268190708 /nfs/dbraw/zinc/19/07/08/268190708.db2.gz HDDNGGFBRJEJIV-LJQANCHMSA-N 2 1 312.461 2.788 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000270603618 268190709 /nfs/dbraw/zinc/19/07/09/268190709.db2.gz HDDNGGFBRJEJIV-LJQANCHMSA-N 2 1 312.461 2.788 20 0 DFADMP CC[N@H+](CCn1cc[nH+]c1C)Cc1ccc(OC)c(OC)c1 ZINC000270842187 268225051 /nfs/dbraw/zinc/22/50/51/268225051.db2.gz NVJKTILMQLSXLW-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP CC[N@@H+](CCn1cc[nH+]c1C)Cc1ccc(OC)c(OC)c1 ZINC000270842187 268225054 /nfs/dbraw/zinc/22/50/54/268225054.db2.gz NVJKTILMQLSXLW-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000271520298 268249634 /nfs/dbraw/zinc/24/96/34/268249634.db2.gz QDGHUNVNTCRRRE-DZGCQCFKSA-N 2 1 316.474 2.820 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C2CC(c3cccc(F)c3)C2)CC1(C)C ZINC000282432024 268271897 /nfs/dbraw/zinc/27/18/97/268271897.db2.gz TYNHEMAXJMGTST-UHFFFAOYSA-N 2 1 319.468 2.687 20 0 DFADMP Cc1cc(NC[C@@H]2CN(CC(C)C)CCO2)nc(C(C)C)n1 ZINC000301060815 268322358 /nfs/dbraw/zinc/32/23/58/268322358.db2.gz LMKGZTKUKXXVSY-OAHLLOKOSA-N 2 1 306.454 2.677 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](CNC(=O)OC(C)(C)C)C(C)C ZINC000309717850 268336221 /nfs/dbraw/zinc/33/62/21/268336221.db2.gz LIOFIDDYAYKOSE-OAHLLOKOSA-N 2 1 324.469 2.578 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315298850 268342827 /nfs/dbraw/zinc/34/28/27/268342827.db2.gz XPVNIZXETSSGRR-UHFFFAOYSA-N 2 1 311.223 2.506 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000315298850 268342829 /nfs/dbraw/zinc/34/28/29/268342829.db2.gz XPVNIZXETSSGRR-UHFFFAOYSA-N 2 1 311.223 2.506 20 0 DFADMP C[C@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148912 425982583 /nfs/dbraw/zinc/98/25/83/425982583.db2.gz OEZLEVRGEIUAGX-GFCCVEGCSA-N 2 1 316.276 2.891 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000107371822 425990328 /nfs/dbraw/zinc/99/03/28/425990328.db2.gz UOGLSMIVMRYJOH-INIZCTEOSA-N 2 1 307.869 2.552 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+](C)C(C)C)c2C1 ZINC000158276473 425941481 /nfs/dbraw/zinc/94/14/81/425941481.db2.gz PSNXUWOZYNGEFO-UHFFFAOYSA-N 2 1 303.450 2.937 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@H+](C)C(C)C)c2C1 ZINC000158276473 425941484 /nfs/dbraw/zinc/94/14/84/425941484.db2.gz PSNXUWOZYNGEFO-UHFFFAOYSA-N 2 1 303.450 2.937 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)C[N@@H+](C)C(C)C)c2C1 ZINC000158276473 425941486 /nfs/dbraw/zinc/94/14/86/425941486.db2.gz PSNXUWOZYNGEFO-UHFFFAOYSA-N 2 1 303.450 2.937 20 0 DFADMP CN(c1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cs1)C1CC1 ZINC000158754342 425947495 /nfs/dbraw/zinc/94/74/95/425947495.db2.gz CXAKIKUUZKKCOI-BBRMVZONSA-N 2 1 320.506 2.658 20 0 DFADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000158910489 425949657 /nfs/dbraw/zinc/94/96/57/425949657.db2.gz QGRPTRRYRYISDQ-KVSKMBFKSA-N 2 1 302.462 2.602 20 0 DFADMP CC(C)N(C)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159020230 425952489 /nfs/dbraw/zinc/95/24/89/425952489.db2.gz PDDMAPTVYPURGV-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125306435 425964582 /nfs/dbraw/zinc/96/45/82/425964582.db2.gz UKFZDGOKTFZOEC-AOIWGVFYSA-N 2 1 304.478 2.954 20 0 DFADMP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000125366666 425968697 /nfs/dbraw/zinc/96/86/97/425968697.db2.gz FATWSBOYLLBNSH-ZVZYQTTQSA-N 2 1 306.450 2.580 20 0 DFADMP Cc1cc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)on1 ZINC000125502472 425975127 /nfs/dbraw/zinc/97/51/27/425975127.db2.gz HWZMQHIDMCUBBO-AWEZNQCLSA-N 2 1 303.406 2.774 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000125516099 425976331 /nfs/dbraw/zinc/97/63/31/425976331.db2.gz UNIJSHHYTWTQAS-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000125516099 425976335 /nfs/dbraw/zinc/97/63/35/425976335.db2.gz UNIJSHHYTWTQAS-CYBMUJFWSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](C)C[C@@H]1CN(c2cc[nH+]c3cc(Cl)ccc32)CCO1 ZINC000108952127 426025779 /nfs/dbraw/zinc/02/57/79/426025779.db2.gz HBUDPGRKRRGDBK-CYBMUJFWSA-N 2 1 305.809 2.655 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000161589042 426030396 /nfs/dbraw/zinc/03/03/96/426030396.db2.gz OXYJZZPNUKFSAW-SOUVJXGZSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161589042 426030398 /nfs/dbraw/zinc/03/03/98/426030398.db2.gz OXYJZZPNUKFSAW-SOUVJXGZSA-N 2 1 304.434 2.981 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCOC3)CC2)cs1 ZINC000161708242 426035771 /nfs/dbraw/zinc/03/57/71/426035771.db2.gz PGZWHKMEGXFDAY-CJNGLKHVSA-N 2 1 323.506 2.678 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000111420883 426050517 /nfs/dbraw/zinc/05/05/17/426050517.db2.gz UUGZRJBFTKRDPZ-KRWDZBQOSA-N 2 1 318.465 2.744 20 0 DFADMP CN(CCC[NH+]1CCCC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000162102502 426051820 /nfs/dbraw/zinc/05/18/20/426051820.db2.gz XCXBYMBNYUFCCX-HXUWFJFHSA-N 3 1 315.505 2.926 20 0 DFADMP CCCN(CC[NH+](CC)CC)c1cncc(-n2cc[nH+]c2C)n1 ZINC000162424187 426063638 /nfs/dbraw/zinc/06/36/38/426063638.db2.gz RWYFDCOBUBSXMC-UHFFFAOYSA-N 2 1 316.453 2.529 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CN(C)C(=O)OC(C)(C)C ZINC000162489837 426065976 /nfs/dbraw/zinc/06/59/76/426065976.db2.gz RMJGOMTYKBOTJP-RBSFLKMASA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000127516106 426070581 /nfs/dbraw/zinc/07/05/81/426070581.db2.gz IQEHITUFRDQJQC-CQSZACIVSA-N 2 1 310.511 2.740 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000075334740 426070735 /nfs/dbraw/zinc/07/07/35/426070735.db2.gz FLXQGLINPZIEMJ-KRWDZBQOSA-N 2 1 317.477 2.552 20 0 DFADMP CCC[NH+]1CCC(N[C@@H](C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000126326572 426015695 /nfs/dbraw/zinc/01/56/95/426015695.db2.gz FTEAMVZNFOZNKV-KRWDZBQOSA-N 2 1 303.494 2.971 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000163171212 426090780 /nfs/dbraw/zinc/09/07/80/426090780.db2.gz JNJJRFBCFGCVBO-QGZVFWFLSA-N 2 1 301.438 2.641 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000163171212 426090783 /nfs/dbraw/zinc/09/07/83/426090783.db2.gz JNJJRFBCFGCVBO-QGZVFWFLSA-N 2 1 301.438 2.641 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC[N@@H+]1C ZINC000163359681 426097091 /nfs/dbraw/zinc/09/70/91/426097091.db2.gz MGDYBTIUQDTRLP-NUEKZKHPSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)CC[N@H+]1C ZINC000163359681 426097094 /nfs/dbraw/zinc/09/70/94/426097094.db2.gz MGDYBTIUQDTRLP-NUEKZKHPSA-N 2 1 307.869 2.991 20 0 DFADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(OC)c1 ZINC000128276181 426109817 /nfs/dbraw/zinc/10/98/17/426109817.db2.gz ZABGPQAZVDAIFP-IBGZPJMESA-N 2 1 319.493 2.764 20 0 DFADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128343900 426113170 /nfs/dbraw/zinc/11/31/70/426113170.db2.gz ZADWXJSPWVYYHW-QFBILLFUSA-N 2 1 301.478 2.537 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(C)c1 ZINC000128498300 426120628 /nfs/dbraw/zinc/12/06/28/426120628.db2.gz DOQJAPVHZNBIEL-GOSISDBHSA-N 2 1 303.494 2.982 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165311897 426122067 /nfs/dbraw/zinc/12/20/67/426122067.db2.gz UZRQNXAXDMBMEA-FUHWJXTLSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165311897 426122070 /nfs/dbraw/zinc/12/20/70/426122070.db2.gz UZRQNXAXDMBMEA-FUHWJXTLSA-N 2 1 312.461 2.635 20 0 DFADMP CC(C)[NH2+]CCC(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000165895795 426124568 /nfs/dbraw/zinc/12/45/68/426124568.db2.gz UCXMMVMGINYUCP-SFHVURJKSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H](CCc1ccc(F)cc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128679206 426129302 /nfs/dbraw/zinc/12/93/02/426129302.db2.gz VWGFWUZQAJIMJB-QGZVFWFLSA-N 2 1 321.484 2.764 20 0 DFADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128720546 426130382 /nfs/dbraw/zinc/13/03/82/426130382.db2.gz ATSNCFSQZYBDEL-KXBFYZLASA-N 2 1 319.468 2.676 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H](C)C3)C2)c1 ZINC000128750097 426131925 /nfs/dbraw/zinc/13/19/25/426131925.db2.gz BJTBCAGLNZCNKU-GVDBMIGSSA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000128750097 426131929 /nfs/dbraw/zinc/13/19/29/426131929.db2.gz BJTBCAGLNZCNKU-GVDBMIGSSA-N 2 1 317.477 2.736 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@H](C)C1 ZINC000167630684 426133605 /nfs/dbraw/zinc/13/36/05/426133605.db2.gz BHTGLRTYQIMCIF-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)cc2OCCOC)[C@H](C)C1 ZINC000167630684 426133608 /nfs/dbraw/zinc/13/36/08/426133608.db2.gz BHTGLRTYQIMCIF-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP Cc1nccn1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000127606672 426074990 /nfs/dbraw/zinc/07/49/90/426074990.db2.gz QMYZIFRENAXPAT-SJLPKXTDSA-N 3 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000127606672 426074992 /nfs/dbraw/zinc/07/49/92/426074992.db2.gz QMYZIFRENAXPAT-SJLPKXTDSA-N 3 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000127606672 426074994 /nfs/dbraw/zinc/07/49/94/426074994.db2.gz QMYZIFRENAXPAT-SJLPKXTDSA-N 3 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000127606672 426074996 /nfs/dbraw/zinc/07/49/96/426074996.db2.gz QMYZIFRENAXPAT-SJLPKXTDSA-N 3 1 302.466 2.530 20 0 DFADMP CC[C@H](O)C[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000127605751 426075385 /nfs/dbraw/zinc/07/53/85/426075385.db2.gz QJINAAZGAQZJDI-SFHVURJKSA-N 2 1 301.434 2.855 20 0 DFADMP CC[C@H](O)C[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000127605751 426075387 /nfs/dbraw/zinc/07/53/87/426075387.db2.gz QJINAAZGAQZJDI-SFHVURJKSA-N 2 1 301.434 2.855 20 0 DFADMP CC[C@H](COC)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000162780885 426077420 /nfs/dbraw/zinc/07/74/20/426077420.db2.gz BCTRVBVEROQGCX-MRXNPFEDSA-N 2 1 309.454 2.518 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)CC[C@@H]21 ZINC000162795610 426077529 /nfs/dbraw/zinc/07/75/29/426077529.db2.gz RRVAVARMMSPTAP-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)CC[C@@H]21 ZINC000162795610 426077531 /nfs/dbraw/zinc/07/75/31/426077531.db2.gz RRVAVARMMSPTAP-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(F)c3)CC[C@@H]21 ZINC000162795610 426077535 /nfs/dbraw/zinc/07/75/35/426077535.db2.gz RRVAVARMMSPTAP-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000163006907 426086132 /nfs/dbraw/zinc/08/61/32/426086132.db2.gz ZLPJZEURJNCTEH-UHFFFAOYSA-N 2 1 315.465 2.887 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCc2c(nc(C(C)C)n2C)C1 ZINC000163006907 426086134 /nfs/dbraw/zinc/08/61/34/426086134.db2.gz ZLPJZEURJNCTEH-UHFFFAOYSA-N 2 1 315.465 2.887 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000135079047 426205032 /nfs/dbraw/zinc/20/50/32/426205032.db2.gz SVDQFAVIIZCJKL-INIZCTEOSA-N 2 1 304.434 2.635 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1 ZINC000135079047 426205035 /nfs/dbraw/zinc/20/50/35/426205035.db2.gz SVDQFAVIIZCJKL-INIZCTEOSA-N 2 1 304.434 2.635 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H](Nc2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000115521253 426166581 /nfs/dbraw/zinc/16/65/81/426166581.db2.gz UCAOCOFVUXJXJA-CJNGLKHVSA-N 2 1 306.454 2.642 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](Nc2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000115521253 426166582 /nfs/dbraw/zinc/16/65/82/426166582.db2.gz UCAOCOFVUXJXJA-CJNGLKHVSA-N 2 1 306.454 2.642 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000134139113 426184920 /nfs/dbraw/zinc/18/49/20/426184920.db2.gz YPLXNKATQQYDLA-OKZBNKHCSA-N 2 1 321.509 2.511 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@H+]1CCC[C@@H]1C(=O)N(C)C ZINC000134139113 426184923 /nfs/dbraw/zinc/18/49/23/426184923.db2.gz YPLXNKATQQYDLA-OKZBNKHCSA-N 2 1 321.509 2.511 20 0 DFADMP CCc1noc(C)c1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134895605 426197898 /nfs/dbraw/zinc/19/78/98/426197898.db2.gz WLADVDOYJDAQLB-RDTXWAMCSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1noc(C)c1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134895605 426197902 /nfs/dbraw/zinc/19/79/02/426197902.db2.gz WLADVDOYJDAQLB-RDTXWAMCSA-N 2 1 303.450 2.994 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C ZINC000136083318 426235137 /nfs/dbraw/zinc/23/51/37/426235137.db2.gz DZZCGLXFNMHKNJ-SUMWQHHRSA-N 2 1 314.433 2.987 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC000173500880 426242070 /nfs/dbraw/zinc/24/20/70/426242070.db2.gz ABUVFRWPICRRSM-MSOLQXFVSA-N 2 1 321.509 2.581 20 0 DFADMP COC(CN(C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000136780643 426246333 /nfs/dbraw/zinc/24/63/33/426246333.db2.gz AGVHKIPDJWNJOI-DOTOQJQBSA-N 2 1 306.450 2.590 20 0 DFADMP COC(C[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)OC ZINC000136780643 426246336 /nfs/dbraw/zinc/24/63/36/426246336.db2.gz AGVHKIPDJWNJOI-DOTOQJQBSA-N 2 1 306.450 2.590 20 0 DFADMP COC(C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)OC ZINC000136780643 426246338 /nfs/dbraw/zinc/24/63/38/426246338.db2.gz AGVHKIPDJWNJOI-DOTOQJQBSA-N 2 1 306.450 2.590 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000118841505 426248713 /nfs/dbraw/zinc/24/87/13/426248713.db2.gz WMLWADQUONLZAV-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP COc1ccc(OCCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000118841505 426248715 /nfs/dbraw/zinc/24/87/15/426248715.db2.gz WMLWADQUONLZAV-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP COc1ccc(OCCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841505 426248718 /nfs/dbraw/zinc/24/87/18/426248718.db2.gz WMLWADQUONLZAV-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP C[N@@H+](CCC1CCCC1)C1CCN(CCn2cccn2)CC1 ZINC000119188588 426267888 /nfs/dbraw/zinc/26/78/88/426267888.db2.gz WRGMBJUQKHJWLI-UHFFFAOYSA-N 2 1 304.482 2.860 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc2c(c1)CCC2 ZINC000151361053 426291445 /nfs/dbraw/zinc/29/14/45/426291445.db2.gz LTXCDZBLZURWDM-OAHLLOKOSA-N 2 1 302.462 2.673 20 0 DFADMP Cc1cccc(C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CC2)c1 ZINC000151378535 426292899 /nfs/dbraw/zinc/29/28/99/426292899.db2.gz MEANVEZOWOPDBT-FQEVSTJZSA-N 2 1 316.489 2.753 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000119669470 426300808 /nfs/dbraw/zinc/30/08/08/426300808.db2.gz BWUFWDUUQMWKBK-CABCVRRESA-N 2 1 313.486 2.611 20 0 DFADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000120979207 426317611 /nfs/dbraw/zinc/31/76/11/426317611.db2.gz NHKLKGBBSGAJMY-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](Cc1ccc(OC[C@@H]2CCCO2)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120979207 426317612 /nfs/dbraw/zinc/31/76/12/426317612.db2.gz NHKLKGBBSGAJMY-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP COc1cccc([C@H](C)[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000175648097 426319357 /nfs/dbraw/zinc/31/93/57/426319357.db2.gz WPLDZAHKFZKMHL-HOTGVXAUSA-N 2 1 320.477 2.781 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000090585187 426329261 /nfs/dbraw/zinc/32/92/61/426329261.db2.gz NVRRXPYLBQOPSF-SJORKVTESA-N 2 1 311.514 2.591 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000151119394 426278782 /nfs/dbraw/zinc/27/87/82/426278782.db2.gz XYJUZHAIFYSHKT-LSDHHAIUSA-N 2 1 304.434 2.840 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000151140125 426281132 /nfs/dbraw/zinc/28/11/32/426281132.db2.gz XXEUJFPPZGLXAC-HOTGVXAUSA-N 2 1 313.449 2.650 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000089215575 426283042 /nfs/dbraw/zinc/28/30/42/426283042.db2.gz CXQYCXXTEUXKST-APWZRJJASA-N 3 1 316.493 2.618 20 0 DFADMP CCN1CC[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H](C)C1 ZINC000089215575 426283045 /nfs/dbraw/zinc/28/30/45/426283045.db2.gz CXQYCXXTEUXKST-APWZRJJASA-N 2 1 316.493 2.618 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652324 426397785 /nfs/dbraw/zinc/39/77/85/426397785.db2.gz WHQOIFBNODZXPS-CPUCHLNUSA-N 2 1 316.424 2.830 20 0 DFADMP C[C@H](c1ccccc1Cl)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122855999 426399140 /nfs/dbraw/zinc/39/91/40/426399140.db2.gz NJDQUUKENZBQPY-OAHLLOKOSA-N 2 1 309.885 2.970 20 0 DFADMP CC1CCN(CC[N@H+]2CC[C@@H](CNc3ccccn3)C2)CC1 ZINC000153676119 426399404 /nfs/dbraw/zinc/39/94/04/426399404.db2.gz UGMRLJHTAXJSIP-KRWDZBQOSA-N 2 1 302.466 2.547 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122902400 426401725 /nfs/dbraw/zinc/40/17/25/426401725.db2.gz WKBNPGFBEJZMNT-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1cc(F)ccc1F ZINC000153747053 426403230 /nfs/dbraw/zinc/40/32/30/426403230.db2.gz KPLLETJYUCRJAY-INIZCTEOSA-N 2 1 300.393 2.974 20 0 DFADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1cc(F)ccc1F ZINC000153747053 426403233 /nfs/dbraw/zinc/40/32/33/426403233.db2.gz KPLLETJYUCRJAY-INIZCTEOSA-N 2 1 300.393 2.974 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000152447427 426343331 /nfs/dbraw/zinc/34/33/31/426343331.db2.gz RKNVNTYAVAQOKA-DGCWBMGLSA-N 2 1 306.475 2.559 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000152878516 426358328 /nfs/dbraw/zinc/35/83/28/426358328.db2.gz NWJWXDVIZYILHH-KXBFYZLASA-N 2 1 320.452 2.990 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3ccco3)CC2)C[C@H](C)O1 ZINC000093844166 426358801 /nfs/dbraw/zinc/35/88/01/426358801.db2.gz YNJQTGVCCWUYDE-IYBDPMFKSA-N 2 1 306.450 2.991 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)C2CCOCC2)[C@H](C)C1 ZINC000122350633 426371545 /nfs/dbraw/zinc/37/15/45/426371545.db2.gz CDQCPFAYHCQYSO-RYRKJORJSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000153236370 426377345 /nfs/dbraw/zinc/37/73/45/426377345.db2.gz YQSCIHFWYCJFEI-VQIMIIECSA-N 2 1 302.462 2.539 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000153236370 426377348 /nfs/dbraw/zinc/37/73/48/426377348.db2.gz YQSCIHFWYCJFEI-VQIMIIECSA-N 2 1 302.462 2.539 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C)nc2C)C1 ZINC000176715462 426406419 /nfs/dbraw/zinc/40/64/19/426406419.db2.gz ANYPRNJDHWVVGX-OAHLLOKOSA-N 2 1 304.438 2.894 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)CC[N@@H+]1C ZINC000123207300 426419972 /nfs/dbraw/zinc/41/99/72/426419972.db2.gz NIIKIZRRDLRNGS-KBPBESRZSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCC(=O)Nc2ccccc2F)CC[N@H+]1C ZINC000123207300 426419975 /nfs/dbraw/zinc/41/99/75/426419975.db2.gz NIIKIZRRDLRNGS-KBPBESRZSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccccc2F)CC[NH+]1C ZINC000123207300 426419979 /nfs/dbraw/zinc/41/99/79/426419979.db2.gz NIIKIZRRDLRNGS-KBPBESRZSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)CC[NH+]1C ZINC000123207300 426419982 /nfs/dbraw/zinc/41/99/82/426419982.db2.gz NIIKIZRRDLRNGS-KBPBESRZSA-N 2 1 307.413 2.569 20 0 DFADMP Cc1ccc(C)c(NC(=O)CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123464649 426436095 /nfs/dbraw/zinc/43/60/95/426436095.db2.gz RURBGSOABVRXGZ-HZPDHXFCSA-N 2 1 303.450 2.656 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc2ccccc2[nH]c1=O ZINC000123628909 426444422 /nfs/dbraw/zinc/44/44/22/426444422.db2.gz MXTWCLKRMVJIMZ-CYBMUJFWSA-N 2 1 310.401 2.871 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@H](CO)C1 ZINC000154614664 426448195 /nfs/dbraw/zinc/44/81/95/426448195.db2.gz WXRMERKOWGFSNR-SFHVURJKSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@H](CO)C1 ZINC000154614664 426448197 /nfs/dbraw/zinc/44/81/97/426448197.db2.gz WXRMERKOWGFSNR-SFHVURJKSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@H](CO)C1 ZINC000154614664 426448199 /nfs/dbraw/zinc/44/81/99/426448199.db2.gz WXRMERKOWGFSNR-SFHVURJKSA-N 2 1 304.478 2.849 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000154678214 426450983 /nfs/dbraw/zinc/45/09/83/426450983.db2.gz IPSHIMRUKDBRFC-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000154678214 426450987 /nfs/dbraw/zinc/45/09/87/426450987.db2.gz IPSHIMRUKDBRFC-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@H](C)C3CC3)cc2)CC1 ZINC000177223695 426456778 /nfs/dbraw/zinc/45/67/78/426456778.db2.gz WMLHGFYDJKWDHM-MRXNPFEDSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)CC[N@@H+]1C ZINC000155420231 426470772 /nfs/dbraw/zinc/47/07/72/426470772.db2.gz WIZBTTLDWGTRQX-BPLDGKMQSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)CC[N@H+]1C ZINC000155420231 426470776 /nfs/dbraw/zinc/47/07/76/426470776.db2.gz WIZBTTLDWGTRQX-BPLDGKMQSA-N 2 1 309.404 2.616 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177431477 426478330 /nfs/dbraw/zinc/47/83/30/426478330.db2.gz YKQZMZRIUVNITA-GOSISDBHSA-N 2 1 321.509 2.773 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000098143630 426480386 /nfs/dbraw/zinc/48/03/86/426480386.db2.gz SOWAZCYLBWFTHP-PKOBYXMFSA-N 2 1 302.462 2.746 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000098143629 426480759 /nfs/dbraw/zinc/48/07/59/426480759.db2.gz SOWAZCYLBWFTHP-IEBWSBKVSA-N 2 1 302.462 2.746 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000177462478 426481020 /nfs/dbraw/zinc/48/10/20/426481020.db2.gz YDZVERHYMSJHFF-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101626964 426485335 /nfs/dbraw/zinc/48/53/35/426485335.db2.gz YODAJMXZMTXYQS-DFGXFYAUSA-N 2 1 317.477 2.667 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000264164930 426509498 /nfs/dbraw/zinc/50/94/98/426509498.db2.gz IYQVZYWSCKARFV-MRXNPFEDSA-N 2 1 317.477 2.743 20 0 DFADMP CC(C)[C@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](C)CC1 ZINC000186573876 426554576 /nfs/dbraw/zinc/55/45/76/426554576.db2.gz KEMAEFZAAZKOTJ-IBGZPJMESA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C)CC1 ZINC000186573876 426554585 /nfs/dbraw/zinc/55/45/85/426554585.db2.gz KEMAEFZAAZKOTJ-IBGZPJMESA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000272392646 426515024 /nfs/dbraw/zinc/51/50/24/426515024.db2.gz YCOUZKAIWSPOPQ-XYJFISCASA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)CC[N@H+]1C ZINC000186413356 426522187 /nfs/dbraw/zinc/52/21/87/426522187.db2.gz CAKBCCGWOXGRBP-XJKSGUPXSA-N 2 1 303.425 2.932 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000264309062 426531574 /nfs/dbraw/zinc/53/15/74/426531574.db2.gz ZJDQJWVGWJQQFK-CABCVRRESA-N 2 1 308.441 2.911 20 0 DFADMP C[C@@H]1C[C@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@H+]1C ZINC000186638108 426569863 /nfs/dbraw/zinc/56/98/63/426569863.db2.gz JNVPVZDXJPXBLM-XWIAVFTESA-N 2 1 316.424 2.721 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1C ZINC000273119201 426596750 /nfs/dbraw/zinc/59/67/50/426596750.db2.gz XSVJCIOPYDGQQW-HNNXBMFYSA-N 2 1 306.450 2.501 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000273310783 426641810 /nfs/dbraw/zinc/64/18/10/426641810.db2.gz UGSOBISMBLSJDS-ZBFHGGJFSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000273310783 426641814 /nfs/dbraw/zinc/64/18/14/426641814.db2.gz UGSOBISMBLSJDS-ZBFHGGJFSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000273310780 426641915 /nfs/dbraw/zinc/64/19/15/426641915.db2.gz UGSOBISMBLSJDS-GDBMZVCRSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000273310780 426641918 /nfs/dbraw/zinc/64/19/18/426641918.db2.gz UGSOBISMBLSJDS-GDBMZVCRSA-N 2 1 303.450 2.833 20 0 DFADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@H]1CSC[NH2+]1 ZINC000178742471 426686761 /nfs/dbraw/zinc/68/67/61/426686761.db2.gz NXECWNDBJYLHBN-INIZCTEOSA-N 2 1 319.474 2.664 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cccc(C(F)F)c1)CC[NH+](C)C ZINC000289435780 426656205 /nfs/dbraw/zinc/65/62/05/426656205.db2.gz OCADUNURWCWBPX-UHFFFAOYSA-N 2 1 313.436 2.940 20 0 DFADMP CCCOc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289460434 426663784 /nfs/dbraw/zinc/66/37/84/426663784.db2.gz OIJFPFJJSSXWKK-UHFFFAOYSA-N 2 1 319.493 2.545 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000178634575 426667462 /nfs/dbraw/zinc/66/74/62/426667462.db2.gz PYJONMFCDLNGBD-PXNSSMCTSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCN1C ZINC000178634575 426667467 /nfs/dbraw/zinc/66/74/67/426667467.db2.gz PYJONMFCDLNGBD-PXNSSMCTSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289580387 426668899 /nfs/dbraw/zinc/66/88/99/426668899.db2.gz WLTZDDSUXMXXQI-SFHVURJKSA-N 2 1 310.445 2.719 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN2c3ccccc3C[C@H]2C1 ZINC000289580387 426668908 /nfs/dbraw/zinc/66/89/08/426668908.db2.gz WLTZDDSUXMXXQI-SFHVURJKSA-N 2 1 310.445 2.719 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccccc1Cl ZINC000178662211 426673606 /nfs/dbraw/zinc/67/36/06/426673606.db2.gz RYZAZKKLLTXLSD-OAHLLOKOSA-N 2 1 323.868 2.578 20 0 DFADMP C[NH2+]CCCC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000178690729 426676560 /nfs/dbraw/zinc/67/65/60/426676560.db2.gz VGFVCXQJBFHANZ-MRXNPFEDSA-N 2 1 317.477 2.534 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000178707712 426680277 /nfs/dbraw/zinc/68/02/77/426680277.db2.gz XJRNSSUDUVSHNX-HUUCEWRRSA-N 2 1 324.432 2.759 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000280902579 426681732 /nfs/dbraw/zinc/68/17/32/426681732.db2.gz FWLCDINNGMFXRQ-ICSRJNTNSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CC=CCC1 ZINC000280902579 426681738 /nfs/dbraw/zinc/68/17/38/426681738.db2.gz FWLCDINNGMFXRQ-ICSRJNTNSA-N 2 1 313.489 2.749 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H]3CC)c2C1 ZINC000290062959 426683715 /nfs/dbraw/zinc/68/37/15/426683715.db2.gz UTQAFGZUPHXFFZ-GOEBONIOSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CC[NH2+][C@@H]3CC)c2C1 ZINC000290062959 426683720 /nfs/dbraw/zinc/68/37/20/426683720.db2.gz UTQAFGZUPHXFFZ-GOEBONIOSA-N 2 1 301.434 2.739 20 0 DFADMP Cc1noc(C2CCC([NH2+]CCCCn3cc[nH+]c3C)CC2)n1 ZINC000280907453 426683985 /nfs/dbraw/zinc/68/39/85/426683985.db2.gz FIBVJISBLUXXDM-UHFFFAOYSA-N 2 1 317.437 2.979 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)s1 ZINC000178738930 426685364 /nfs/dbraw/zinc/68/53/64/426685364.db2.gz XOSJTKJBCBAQCO-ZDUSSCGKSA-N 2 1 324.538 2.684 20 0 DFADMP Cc1nn(C)cc1[C@H](C)[NH2+]C1CCN(c2cccc(C)[nH+]2)CC1 ZINC000178418399 426626910 /nfs/dbraw/zinc/62/69/10/426626910.db2.gz FFCOGXKGDPRIEG-AWEZNQCLSA-N 2 1 313.449 2.752 20 0 DFADMP COC(=O)c1ccccc1CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000187086079 426629352 /nfs/dbraw/zinc/62/93/52/426629352.db2.gz LEBLWQVQWCFBED-KRWDZBQOSA-N 2 1 318.461 2.822 20 0 DFADMP COC(=O)c1ccccc1CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000187086079 426629356 /nfs/dbraw/zinc/62/93/56/426629356.db2.gz LEBLWQVQWCFBED-KRWDZBQOSA-N 2 1 318.461 2.822 20 0 DFADMP COC(=O)c1ccccc1CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000187086079 426629361 /nfs/dbraw/zinc/62/93/61/426629361.db2.gz LEBLWQVQWCFBED-KRWDZBQOSA-N 2 1 318.461 2.822 20 0 DFADMP COC(=O)c1ccccc1CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000187086079 426629367 /nfs/dbraw/zinc/62/93/67/426629367.db2.gz LEBLWQVQWCFBED-KRWDZBQOSA-N 2 1 318.461 2.822 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)CC[N@H+]1C ZINC000187998171 426714040 /nfs/dbraw/zinc/71/40/40/426714040.db2.gz ZQFOZLNKWLNPTI-ZBFHGGJFSA-N 2 1 321.896 2.770 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2ccc(Br)o2)CC[N@H+]1C ZINC000188075957 426720991 /nfs/dbraw/zinc/72/09/91/426720991.db2.gz PXKFYOXUDHEHDQ-MNOVXSKESA-N 2 1 301.228 2.957 20 0 DFADMP C[C@@H]([NH2+]CCN1CC=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950701 426692598 /nfs/dbraw/zinc/69/25/98/426692598.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H](NCC[N@H+]1CC=CCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280950701 426692602 /nfs/dbraw/zinc/69/26/02/426692602.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H](NCC[N@@H+]1CC=CCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280950701 426692605 /nfs/dbraw/zinc/69/26/05/426692605.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H](NCC[NH+]1CC=CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950701 426692608 /nfs/dbraw/zinc/69/26/08/426692608.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H](NCC[NH+]1CC=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950701 426692611 /nfs/dbraw/zinc/69/26/11/426692611.db2.gz JRKXKTANFHKBBB-QUCCMNQESA-N 2 1 313.489 2.749 20 0 DFADMP [NH3+][C@@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000237825757 426697799 /nfs/dbraw/zinc/69/77/99/426697799.db2.gz VKWQYUTXIHSKGX-RBUKOAKNSA-N 2 1 323.440 2.640 20 0 DFADMP Cc1nc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)sc1C ZINC000179274440 426775811 /nfs/dbraw/zinc/77/58/11/426775811.db2.gz HTUCDKGBZSSBBF-AWEZNQCLSA-N 2 1 304.463 2.948 20 0 DFADMP Cc1nc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)sc1C ZINC000179274440 426775814 /nfs/dbraw/zinc/77/58/14/426775814.db2.gz HTUCDKGBZSSBBF-AWEZNQCLSA-N 2 1 304.463 2.948 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179446901 426789876 /nfs/dbraw/zinc/78/98/76/426789876.db2.gz BCKCUABBEVMPBF-OAHLLOKOSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179446901 426789882 /nfs/dbraw/zinc/78/98/82/426789882.db2.gz BCKCUABBEVMPBF-OAHLLOKOSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179446901 426789886 /nfs/dbraw/zinc/78/98/86/426789886.db2.gz BCKCUABBEVMPBF-OAHLLOKOSA-N 2 1 307.438 2.635 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290494703 426777867 /nfs/dbraw/zinc/77/78/67/426777867.db2.gz OTGDUJUTXDXNAM-VQIMIIECSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1 ZINC000290494703 426777871 /nfs/dbraw/zinc/77/78/71/426777871.db2.gz OTGDUJUTXDXNAM-VQIMIIECSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1 ZINC000290494703 426777872 /nfs/dbraw/zinc/77/78/72/426777872.db2.gz OTGDUJUTXDXNAM-VQIMIIECSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000290494703 426777876 /nfs/dbraw/zinc/77/78/76/426777876.db2.gz OTGDUJUTXDXNAM-VQIMIIECSA-N 2 1 320.477 2.622 20 0 DFADMP Cc1noc([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000179314665 426779853 /nfs/dbraw/zinc/77/98/53/426779853.db2.gz HFSJLRCXUYNSGB-HNNXBMFYSA-N 2 1 303.410 2.543 20 0 DFADMP Cc1noc([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000179314665 426779861 /nfs/dbraw/zinc/77/98/61/426779861.db2.gz HFSJLRCXUYNSGB-HNNXBMFYSA-N 2 1 303.410 2.543 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H](c2nccn2C)C2CC2)C1 ZINC000245902844 426780649 /nfs/dbraw/zinc/78/06/49/426780649.db2.gz SNLWFDNAXCSGLF-RDJZCZTQSA-N 2 1 304.482 2.973 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2c3ccccc3CC23CCOCC3)CC1 ZINC000290262217 426728477 /nfs/dbraw/zinc/72/84/77/426728477.db2.gz VHDJRPUVDXFZLX-SFHVURJKSA-N 2 1 300.446 2.764 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H](C[NH2+]C)C2)cc1)C(C)C ZINC000178991459 426731693 /nfs/dbraw/zinc/73/16/93/426731693.db2.gz TVVLHKRWKUCODJ-KRWDZBQOSA-N 2 1 317.477 2.598 20 0 DFADMP Cc1ccc2nc(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000290301453 426736435 /nfs/dbraw/zinc/73/64/35/426736435.db2.gz BIXQVYSGDCHQMV-KRWDZBQOSA-N 2 1 312.461 2.806 20 0 DFADMP COCCOc1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290303400 426736475 /nfs/dbraw/zinc/73/64/75/426736475.db2.gz BMPUENFQCHUQKU-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP COCCOc1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000290303400 426736477 /nfs/dbraw/zinc/73/64/77/426736477.db2.gz BMPUENFQCHUQKU-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP C[N@@H+](C[C@@]1(O)CCN(Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275407 426738170 /nfs/dbraw/zinc/73/81/70/426738170.db2.gz BRAASBWTQHSMHM-OALUTQOASA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275407 426738189 /nfs/dbraw/zinc/73/81/89/426738189.db2.gz BRAASBWTQHSMHM-OALUTQOASA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C=CCCC1 ZINC000188275407 426738196 /nfs/dbraw/zinc/73/81/96/426738196.db2.gz BRAASBWTQHSMHM-OALUTQOASA-N 2 1 300.446 2.664 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC ZINC000290345340 426747556 /nfs/dbraw/zinc/74/75/56/426747556.db2.gz FUAKSNYJHMDYGX-MRXNPFEDSA-N 2 1 318.461 2.868 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000290359781 426749955 /nfs/dbraw/zinc/74/99/55/426749955.db2.gz GTTQDYIPGKPFSF-WBVHZDCISA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000290359781 426749962 /nfs/dbraw/zinc/74/99/62/426749962.db2.gz GTTQDYIPGKPFSF-WBVHZDCISA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000290359781 426749969 /nfs/dbraw/zinc/74/99/69/426749969.db2.gz GTTQDYIPGKPFSF-WBVHZDCISA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000290359781 426749973 /nfs/dbraw/zinc/74/99/73/426749973.db2.gz GTTQDYIPGKPFSF-WBVHZDCISA-N 2 1 304.482 2.698 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000245608512 426756869 /nfs/dbraw/zinc/75/68/69/426756869.db2.gz NPBVYUOZDPFYEP-UXLLHSPISA-N 2 1 320.481 2.597 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@H]1CCCC[C@@H]1C ZINC000245608512 426756872 /nfs/dbraw/zinc/75/68/72/426756872.db2.gz NPBVYUOZDPFYEP-UXLLHSPISA-N 2 1 320.481 2.597 20 0 DFADMP CC(C)n1ccnc1CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000179174047 426761961 /nfs/dbraw/zinc/76/19/61/426761961.db2.gz ZVMFNTFCDZEODC-NVXWUHKLSA-N 2 1 302.466 2.913 20 0 DFADMP COCc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000290429517 426762268 /nfs/dbraw/zinc/76/22/68/426762268.db2.gz LFFQUBVZGIBALM-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000281782769 426764281 /nfs/dbraw/zinc/76/42/81/426764281.db2.gz XHDUBQWUXMCYGW-WBMJQRKESA-N 2 1 315.392 2.870 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000188920733 426800402 /nfs/dbraw/zinc/80/04/02/426800402.db2.gz XTOPDHHJAMXUAF-RISVGRPXSA-N 2 1 318.505 2.935 20 0 DFADMP COCC[C@](C)(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000266946970 426803291 /nfs/dbraw/zinc/80/32/91/426803291.db2.gz FJHPQMJAIGLCBZ-IBGZPJMESA-N 2 1 322.493 2.522 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000246158396 426805986 /nfs/dbraw/zinc/80/59/86/426805986.db2.gz AAWHNEWITDXDRP-LSDHHAIUSA-N 2 1 303.450 2.713 20 0 DFADMP C[C@@H](CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1)C1CC[NH2+]CC1 ZINC000246229922 426812130 /nfs/dbraw/zinc/81/21/30/426812130.db2.gz HOTRSCRDRHJXLV-IRXDYDNUSA-N 2 1 323.525 2.641 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]1CCCCCC[C@H]1[NH3+] ZINC000246240482 426812301 /nfs/dbraw/zinc/81/23/01/426812301.db2.gz IUHAUMOJDMYVJW-LTIDMASMSA-N 2 1 309.498 2.521 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN([C@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000267030585 426813580 /nfs/dbraw/zinc/81/35/80/426813580.db2.gz AUYCMDWKFMVDEP-KGLIPLIRSA-N 2 1 308.422 2.791 20 0 DFADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)c1 ZINC000290724980 426826209 /nfs/dbraw/zinc/82/62/09/426826209.db2.gz OXHDMWFKEFCFRW-SJORKVTESA-N 2 1 300.446 2.943 20 0 DFADMP COc1cccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000290724955 426826965 /nfs/dbraw/zinc/82/69/65/426826965.db2.gz OXHDMWFKEFCFRW-DLBZAZTESA-N 2 1 300.446 2.943 20 0 DFADMP COc1cccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)c1 ZINC000290724962 426827065 /nfs/dbraw/zinc/82/70/65/426827065.db2.gz OXHDMWFKEFCFRW-IAGOWNOFSA-N 2 1 300.446 2.943 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274741711 426827422 /nfs/dbraw/zinc/82/74/22/426827422.db2.gz FLPRWZIQFOLXCC-LLHCEFMISA-N 2 1 302.462 2.814 20 0 DFADMP COCCC1(C[NH2+]CC2([NH+](C)C)CCOCC2)CCCCC1 ZINC000189204120 426828387 /nfs/dbraw/zinc/82/83/87/426828387.db2.gz RQRRPNHCLHSRAL-UHFFFAOYSA-N 2 1 312.498 2.674 20 0 DFADMP CCOC(=O)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000274834484 426846172 /nfs/dbraw/zinc/84/61/72/426846172.db2.gz NCLYBMRCIPDLGC-WMZOPIPTSA-N 2 1 318.461 2.830 20 0 DFADMP CCOC(=O)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000274834484 426846177 /nfs/dbraw/zinc/84/61/77/426846177.db2.gz NCLYBMRCIPDLGC-WMZOPIPTSA-N 2 1 318.461 2.830 20 0 DFADMP CC(C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282194027 426850417 /nfs/dbraw/zinc/85/04/17/426850417.db2.gz GKIVFIOLYBPWLU-GOSISDBHSA-N 2 1 303.494 2.999 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C(C)(C)C)n1 ZINC000180393277 426855867 /nfs/dbraw/zinc/85/58/67/426855867.db2.gz IAJUJLOLQYBVED-HNNXBMFYSA-N 2 1 304.482 2.635 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c(C(C)(C)C)n1 ZINC000180393277 426855875 /nfs/dbraw/zinc/85/58/75/426855875.db2.gz IAJUJLOLQYBVED-HNNXBMFYSA-N 2 1 304.482 2.635 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@@H+](CC)C1)c1ccccc1 ZINC000246050065 426793869 /nfs/dbraw/zinc/79/38/69/426793869.db2.gz VALMPTNGRGORFT-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cn(C(C)(C)C)nn1 ZINC000290566981 426795951 /nfs/dbraw/zinc/79/59/51/426795951.db2.gz STPKTLIXPWSLQI-UHFFFAOYSA-N 2 1 318.469 2.704 20 0 DFADMP CCCn1cc[nH+]c1CCCN(C)Cc1cn(C(C)(C)C)nn1 ZINC000290566981 426795955 /nfs/dbraw/zinc/79/59/55/426795955.db2.gz STPKTLIXPWSLQI-UHFFFAOYSA-N 2 1 318.469 2.704 20 0 DFADMP OC1(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000309997275 426919457 /nfs/dbraw/zinc/91/94/57/426919457.db2.gz CEZQZBHNRAUVJS-RBUKOAKNSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000309997275 426919463 /nfs/dbraw/zinc/91/94/63/426919463.db2.gz CEZQZBHNRAUVJS-RBUKOAKNSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)CCCC1 ZINC000309997275 426919467 /nfs/dbraw/zinc/91/94/67/426919467.db2.gz CEZQZBHNRAUVJS-RBUKOAKNSA-N 2 1 314.473 2.745 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]CCSCc2ccccc2)CC1(C)C ZINC000282237868 426859970 /nfs/dbraw/zinc/85/99/70/426859970.db2.gz IXKIDGGSSUQSDV-UHFFFAOYSA-N 2 1 321.534 2.535 20 0 DFADMP Cc1cnc(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000180465470 426862237 /nfs/dbraw/zinc/86/22/37/426862237.db2.gz WKUIIOPJZKUPNY-OKILXGFUSA-N 2 1 323.506 2.773 20 0 DFADMP Cc1cnc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)s1 ZINC000180465470 426862241 /nfs/dbraw/zinc/86/22/41/426862241.db2.gz WKUIIOPJZKUPNY-OKILXGFUSA-N 2 1 323.506 2.773 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1C ZINC000282243965 426862346 /nfs/dbraw/zinc/86/23/46/426862346.db2.gz JENNUVKSNWTKNB-QGZVFWFLSA-N 2 1 303.494 2.980 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295209244 426862933 /nfs/dbraw/zinc/86/29/33/426862933.db2.gz ZVMOGAZKDUPORM-JENIJYKNSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]([NH2+]CC[C@H](C)CCO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295209248 426862970 /nfs/dbraw/zinc/86/29/70/426862970.db2.gz ZVMOGAZKDUPORM-SCTDSRPQSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]([NH2+]CC[C@H](C)CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295209250 426863801 /nfs/dbraw/zinc/86/38/01/426863801.db2.gz ZVMOGAZKDUPORM-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP OC1CC[NH+](Cc2ccccc2C[NH2+]Cc2ccco2)CC1 ZINC000267286836 426864005 /nfs/dbraw/zinc/86/40/05/426864005.db2.gz QFXSWNCDHMOWIQ-UHFFFAOYSA-N 2 1 300.402 2.526 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000246859824 426872534 /nfs/dbraw/zinc/87/25/34/426872534.db2.gz CYWXRAKPIQAFQX-DOTOQJQBSA-N 2 1 304.482 2.748 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000246859824 426872541 /nfs/dbraw/zinc/87/25/41/426872541.db2.gz CYWXRAKPIQAFQX-DOTOQJQBSA-N 2 1 304.482 2.748 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000189509959 426873717 /nfs/dbraw/zinc/87/37/17/426873717.db2.gz NCOCPJWTHCKUDF-LBPRGKRZSA-N 2 1 323.334 2.573 20 0 DFADMP C[C@H](CC[NH+](C)C)[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000275609928 426877330 /nfs/dbraw/zinc/87/73/30/426877330.db2.gz RBEVPTQRPFCGCD-CQSZACIVSA-N 2 1 304.413 2.500 20 0 DFADMP C[N@@H+](Cc1ccc(-n2ccnc2)nc1)[C@H](CCO)c1ccccc1 ZINC000267344588 426878002 /nfs/dbraw/zinc/87/80/02/426878002.db2.gz DHRBGYJSYOGLKN-GOSISDBHSA-N 2 1 322.412 2.823 20 0 DFADMP CN(Cc1ccc(-n2ccnc2)nc1)[C@H](CCO)c1ccccc1 ZINC000267344588 426878006 /nfs/dbraw/zinc/87/80/06/426878006.db2.gz DHRBGYJSYOGLKN-GOSISDBHSA-N 2 1 322.412 2.823 20 0 DFADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCCO2 ZINC000305115102 426882864 /nfs/dbraw/zinc/88/28/64/426882864.db2.gz HRFZKUWAEARESC-FUHWJXTLSA-N 2 1 318.461 2.563 20 0 DFADMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@@H]4CCOC4)C3)CC2)cc1 ZINC000291329654 426882900 /nfs/dbraw/zinc/88/29/00/426882900.db2.gz ABXHZSDWWNJINY-GOSISDBHSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CCC3(CC[N@H+]([C@H]4CCOC4)C3)CC2)cc1 ZINC000291329658 426882933 /nfs/dbraw/zinc/88/29/33/426882933.db2.gz ABXHZSDWWNJINY-SFHVURJKSA-N 2 1 300.446 2.763 20 0 DFADMP O[C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000305130819 426884097 /nfs/dbraw/zinc/88/40/97/426884097.db2.gz JVBXYBZSXKNHOR-UYAOXDASSA-N 2 1 316.489 2.834 20 0 DFADMP Cc1ccc(C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C(C)C)cc1 ZINC000305143403 426886203 /nfs/dbraw/zinc/88/62/03/426886203.db2.gz RABKDHQPQBUIEJ-HXUWFJFHSA-N 2 1 318.505 2.999 20 0 DFADMP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246982246 426886616 /nfs/dbraw/zinc/88/66/16/426886616.db2.gz KCJPFXZQVVQVGK-RBSFLKMASA-N 2 1 313.486 2.562 20 0 DFADMP COC(C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2)OC ZINC000291454881 426886704 /nfs/dbraw/zinc/88/67/04/426886704.db2.gz MOAWZAPKAHLEOZ-UHFFFAOYSA-N 2 1 318.461 2.593 20 0 DFADMP CC(C)[C@H](O)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305156615 426889242 /nfs/dbraw/zinc/88/92/42/426889242.db2.gz QFQVHZLUAJSNCQ-LJQANCHMSA-N 2 1 322.468 2.829 20 0 DFADMP C[C@H](O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000180860556 426894829 /nfs/dbraw/zinc/89/48/29/426894829.db2.gz SNDOTZHFKIXGND-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H](O)[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000180860556 426894836 /nfs/dbraw/zinc/89/48/36/426894836.db2.gz SNDOTZHFKIXGND-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H](O)[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000180860556 426894845 /nfs/dbraw/zinc/89/48/45/426894845.db2.gz SNDOTZHFKIXGND-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](NCc2ccc(OC(C)(C)C)nc2)C[N@@H+]1C1CC1 ZINC000180891120 426897305 /nfs/dbraw/zinc/89/73/05/426897305.db2.gz RPTZUZDYKVERAP-HIFRSBDPSA-N 2 1 303.450 2.974 20 0 DFADMP C[C@@H]1C[C@H](NCc2ccc(OC(C)(C)C)nc2)C[N@H+]1C1CC1 ZINC000180891120 426897313 /nfs/dbraw/zinc/89/73/13/426897313.db2.gz RPTZUZDYKVERAP-HIFRSBDPSA-N 2 1 303.450 2.974 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247140696 426906789 /nfs/dbraw/zinc/90/67/89/426906789.db2.gz SHULJKMBWNCRDH-WBVHZDCISA-N 2 1 304.482 2.899 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000247174294 426911597 /nfs/dbraw/zinc/91/15/97/426911597.db2.gz UUEKYDDNYFMCOM-RYRKJORJSA-N 2 1 311.514 2.734 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000317064272 426955584 /nfs/dbraw/zinc/95/55/84/426955584.db2.gz YRSNSZRSAYXDAA-KZNAEPCWSA-N 2 1 300.446 2.769 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000319385462 426961849 /nfs/dbraw/zinc/96/18/49/426961849.db2.gz KJETXUPSDCGFDR-PVAVHDDUSA-N 2 1 301.434 2.620 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)nc2)C1(C)C ZINC000181540668 426961826 /nfs/dbraw/zinc/96/18/26/426961826.db2.gz JJJMSBOIVJNVCQ-HZPDHXFCSA-N 2 1 314.433 2.869 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2)C(C)(C)CO)CC[N@H+]1C ZINC000181555521 426965393 /nfs/dbraw/zinc/96/53/93/426965393.db2.gz AFKIHRLDPSCWNF-JQHSSLGASA-N 2 1 304.478 2.861 20 0 DFADMP Cc1cncc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000189862420 426966618 /nfs/dbraw/zinc/96/66/18/426966618.db2.gz UBIFJVDPYFYLHJ-CALCHBBNSA-N 2 1 317.477 2.711 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181693510 426973347 /nfs/dbraw/zinc/97/33/47/426973347.db2.gz QHLYWRRRKYQYJN-LLLHUVSDSA-N 2 1 303.450 2.765 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181693549 426973402 /nfs/dbraw/zinc/97/34/02/426973402.db2.gz QHLYWRRRKYQYJN-HJWJTTGWSA-N 2 1 303.450 2.765 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccccc1OCc1cccnc1)C[NH+](C)C ZINC000291752522 426976509 /nfs/dbraw/zinc/97/65/09/426976509.db2.gz QIFHMKACSQANNJ-INIZCTEOSA-N 2 1 313.445 2.948 20 0 DFADMP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000248217542 426986866 /nfs/dbraw/zinc/98/68/66/426986866.db2.gz ZYFHLIZFJYRLBW-DOMZBBRYSA-N 2 1 311.495 2.647 20 0 DFADMP CN(Cc1ccc(-c2cnn(C)c2)s1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000282846183 426929120 /nfs/dbraw/zinc/92/91/20/426929120.db2.gz SEVFSNYUPZCABJ-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+](C)C[C@@H]3CCC[NH+](C)C3)s2)cn1 ZINC000282846183 426929126 /nfs/dbraw/zinc/92/91/26/426929126.db2.gz SEVFSNYUPZCABJ-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C)C[C@@H]3CCC[NH+](C)C3)s2)cn1 ZINC000282846183 426929132 /nfs/dbraw/zinc/92/91/32/426929132.db2.gz SEVFSNYUPZCABJ-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(-c2ccc(C[NH+](C)C[C@@H]3CCC[N@H+](C)C3)s2)cn1 ZINC000282846183 426929135 /nfs/dbraw/zinc/92/91/35/426929135.db2.gz SEVFSNYUPZCABJ-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCCCCOc2ccccc2)CC1 ZINC000275848258 426933349 /nfs/dbraw/zinc/93/33/49/426933349.db2.gz VUFHGRLFCTYNEK-UHFFFAOYSA-N 2 1 320.477 2.936 20 0 DFADMP CN(Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[N@@H+](C)C1 ZINC000275870919 426935643 /nfs/dbraw/zinc/93/56/43/426935643.db2.gz YBOFFUQEVVTRSN-HNNXBMFYSA-N 2 1 304.434 2.715 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[NH+](C)C1 ZINC000275870919 426935648 /nfs/dbraw/zinc/93/56/48/426935648.db2.gz YBOFFUQEVVTRSN-HNNXBMFYSA-N 2 1 304.434 2.715 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)COC(C)(C)O2)C[C@H]1CC[NH+](C)C1 ZINC000275870919 426935654 /nfs/dbraw/zinc/93/56/54/426935654.db2.gz YBOFFUQEVVTRSN-HNNXBMFYSA-N 2 1 304.434 2.715 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CC2=CCCOC2)CC1 ZINC000275866587 426936801 /nfs/dbraw/zinc/93/68/01/426936801.db2.gz XUSBVNNVSZJAJE-LJQANCHMSA-N 2 1 315.461 2.715 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](CC2=CCCOC2)CC1 ZINC000275866587 426936809 /nfs/dbraw/zinc/93/68/09/426936809.db2.gz XUSBVNNVSZJAJE-LJQANCHMSA-N 2 1 315.461 2.715 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](CC2=CCCOC2)CC1 ZINC000275866587 426936814 /nfs/dbraw/zinc/93/68/14/426936814.db2.gz XUSBVNNVSZJAJE-LJQANCHMSA-N 2 1 315.461 2.715 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](CC2=CCCOC2)CC1 ZINC000275866587 426936823 /nfs/dbraw/zinc/93/68/23/426936823.db2.gz XUSBVNNVSZJAJE-LJQANCHMSA-N 2 1 315.461 2.715 20 0 DFADMP CN(Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2cccn2C)CC1 ZINC000275894568 426943875 /nfs/dbraw/zinc/94/38/75/426943875.db2.gz ZUOIUHSFKAQBAO-GOSISDBHSA-N 2 1 312.461 2.907 20 0 DFADMP Cn1cccc1CN1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000275894568 426943882 /nfs/dbraw/zinc/94/38/82/426943882.db2.gz ZUOIUHSFKAQBAO-GOSISDBHSA-N 2 1 312.461 2.907 20 0 DFADMP Cn1cccc1CN1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000275894568 426943888 /nfs/dbraw/zinc/94/38/88/426943888.db2.gz ZUOIUHSFKAQBAO-GOSISDBHSA-N 2 1 312.461 2.907 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055888 427011381 /nfs/dbraw/zinc/01/13/81/427011381.db2.gz UZXXOBSNONMZNC-MOPGFXCFSA-N 2 1 314.473 2.970 20 0 DFADMP C[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@@H]1O ZINC000190056703 427011472 /nfs/dbraw/zinc/01/14/72/427011472.db2.gz VXMSVTMMXLLFKO-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248604778 427019971 /nfs/dbraw/zinc/01/99/71/427019971.db2.gz WAIISMHJPDLFNN-PMPSAXMXSA-N 2 1 309.498 2.534 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248604778 427019973 /nfs/dbraw/zinc/01/99/73/427019973.db2.gz WAIISMHJPDLFNN-PMPSAXMXSA-N 2 1 309.498 2.534 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248613626 427022517 /nfs/dbraw/zinc/02/25/17/427022517.db2.gz YIEKIMBPTZNSAJ-PMPSAXMXSA-N 2 1 323.525 2.922 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248613626 427022522 /nfs/dbraw/zinc/02/25/22/427022522.db2.gz YIEKIMBPTZNSAJ-PMPSAXMXSA-N 2 1 323.525 2.922 20 0 DFADMP Cn1ccnc1C[C@@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000182292918 427047226 /nfs/dbraw/zinc/04/72/26/427047226.db2.gz JABSRTQBKSCEBQ-HNNXBMFYSA-N 2 1 321.465 2.797 20 0 DFADMP CCn1cc([C@H](C)[NH2+]CCC[NH2+][C@@H](C)c2cnn(CC)c2)cn1 ZINC000296017030 427047239 /nfs/dbraw/zinc/04/72/39/427047239.db2.gz LNNOFYAOGVNXCN-GJZGRUSLSA-N 2 1 318.469 2.511 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248864360 427055259 /nfs/dbraw/zinc/05/52/59/427055259.db2.gz ASDGMXONYKJXRZ-OBJOEFQTSA-N 2 1 308.388 2.542 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248993883 427073736 /nfs/dbraw/zinc/07/37/36/427073736.db2.gz OICBIZRBJWTKMW-FCGDIQPGSA-N 2 1 302.462 2.789 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249032931 427076157 /nfs/dbraw/zinc/07/61/57/427076157.db2.gz MDVRPCALKBZLCC-DLXPNOHRSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)CC1 ZINC000249032931 427076164 /nfs/dbraw/zinc/07/61/64/427076164.db2.gz MDVRPCALKBZLCC-DLXPNOHRSA-N 2 1 310.482 2.674 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000337999398 427084273 /nfs/dbraw/zinc/08/42/73/427084273.db2.gz OYZASOAZHVAKLG-UFYCRDLUSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000337999398 427084279 /nfs/dbraw/zinc/08/42/79/427084279.db2.gz OYZASOAZHVAKLG-UFYCRDLUSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CCC2)C1 ZINC000338009039 427090095 /nfs/dbraw/zinc/09/00/95/427090095.db2.gz FQGZXNMINWQAEW-AABGKKOBSA-N 2 1 314.473 2.922 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000182528521 427093255 /nfs/dbraw/zinc/09/32/55/427093255.db2.gz UEJMUPWSNWHVRY-BHIYHBOVSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000182528521 427093258 /nfs/dbraw/zinc/09/32/58/427093258.db2.gz UEJMUPWSNWHVRY-BHIYHBOVSA-N 2 1 304.478 2.642 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)C[C@H](O)CCc2ccccc2)[C@H](C)C1 ZINC000182528521 427093264 /nfs/dbraw/zinc/09/32/64/427093264.db2.gz UEJMUPWSNWHVRY-BHIYHBOVSA-N 2 1 304.478 2.642 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1 ZINC000249192209 427093497 /nfs/dbraw/zinc/09/34/97/427093497.db2.gz OOJJULGTVKSZSY-ARILJUKYSA-N 2 1 322.415 2.788 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427102972 /nfs/dbraw/zinc/10/29/72/427102972.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427102980 /nfs/dbraw/zinc/10/29/80/427102980.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427102987 /nfs/dbraw/zinc/10/29/87/427102987.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427102993 /nfs/dbraw/zinc/10/29/93/427102993.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000268719828 427102997 /nfs/dbraw/zinc/10/29/97/427102997.db2.gz NYKITJOEFAYQHA-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000249329623 427107079 /nfs/dbraw/zinc/10/70/79/427107079.db2.gz VXTUSAZGAZKAIE-JKIFEVAISA-N 2 1 300.450 2.663 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268734915 427107423 /nfs/dbraw/zinc/10/74/23/427107423.db2.gz VHTOMYASTFDZLX-IEBWSBKVSA-N 2 1 303.494 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH+]1CCCC1 ZINC000268753931 427108430 /nfs/dbraw/zinc/10/84/30/427108430.db2.gz WOJCLHJEWSYKHF-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268773443 427110803 /nfs/dbraw/zinc/11/08/03/427110803.db2.gz UQTSPLZYXGKTQC-PKOBYXMFSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000268773443 427110809 /nfs/dbraw/zinc/11/08/09/427110809.db2.gz UQTSPLZYXGKTQC-PKOBYXMFSA-N 2 1 312.461 2.916 20 0 DFADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(OC)c(OC)c1 ZINC000276605353 427111448 /nfs/dbraw/zinc/11/14/48/427111448.db2.gz FYGJJTNUCBRAQG-HNNXBMFYSA-N 2 1 303.406 2.721 20 0 DFADMP CCOCCN(CC)C[C@H]1C[N@H+](Cc2ccccc2)CCCO1 ZINC000284004927 427114473 /nfs/dbraw/zinc/11/44/73/427114473.db2.gz GWOBHAKRSLAXTI-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP CCOCCN(CC)C[C@H]1C[N@@H+](Cc2ccccc2)CCCO1 ZINC000284004927 427114478 /nfs/dbraw/zinc/11/44/78/427114478.db2.gz GWOBHAKRSLAXTI-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2cncs2)C1 ZINC000190468115 427117343 /nfs/dbraw/zinc/11/73/43/427117343.db2.gz FZRJIEWNOWKSSK-ZDUSSCGKSA-N 2 1 322.503 2.862 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000268798699 427117872 /nfs/dbraw/zinc/11/78/72/427117872.db2.gz GXHUBFXKPVSOQD-HOTGVXAUSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000268797049 427118844 /nfs/dbraw/zinc/11/88/44/427118844.db2.gz WXSPCBKHZVRBJQ-RDJZCZTQSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)CC[N@H+]1C ZINC000268797049 427118848 /nfs/dbraw/zinc/11/88/48/427118848.db2.gz WXSPCBKHZVRBJQ-RDJZCZTQSA-N 2 1 302.466 2.644 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000296253759 427126846 /nfs/dbraw/zinc/12/68/46/427126846.db2.gz DBMCQMCRAQAGPD-PBHICJAKSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000296253759 427126852 /nfs/dbraw/zinc/12/68/52/427126852.db2.gz DBMCQMCRAQAGPD-PBHICJAKSA-N 2 1 317.477 2.622 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268820652 427127159 /nfs/dbraw/zinc/12/71/59/427127159.db2.gz HJEXQMIAJCWVAH-LJQANCHMSA-N 2 1 318.461 2.509 20 0 DFADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000268825502 427131172 /nfs/dbraw/zinc/13/11/72/427131172.db2.gz JACOWZUDZMXSNW-HZPDHXFCSA-N 2 1 320.477 2.624 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000268828872 427131504 /nfs/dbraw/zinc/13/15/04/427131504.db2.gz ZZYSDKHVUJMBHN-WBVHZDCISA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000268828872 427131514 /nfs/dbraw/zinc/13/15/14/427131514.db2.gz ZZYSDKHVUJMBHN-WBVHZDCISA-N 2 1 306.450 2.532 20 0 DFADMP C[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000338082809 427133922 /nfs/dbraw/zinc/13/39/22/427133922.db2.gz BPZZEQAHCIYSDO-BZUAXINKSA-N 2 1 309.498 2.628 20 0 DFADMP CCc1nnc(C[NH+]2CCC(CCC[NH+](CC)CC)CC2)o1 ZINC000182738390 427134438 /nfs/dbraw/zinc/13/44/38/427134438.db2.gz FBOMEVIKTKCALW-UHFFFAOYSA-N 2 1 308.470 2.966 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3c2cccc3F)CC1 ZINC000268853864 427135664 /nfs/dbraw/zinc/13/56/64/427135664.db2.gz HXPKMBURWSRNLH-LJQANCHMSA-N 2 1 319.468 2.676 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220659 427136441 /nfs/dbraw/zinc/13/64/41/427136441.db2.gz UWLVGXHKBJTFNP-NHCUHLMSSA-N 2 1 324.468 2.771 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220659 427136446 /nfs/dbraw/zinc/13/64/46/427136446.db2.gz UWLVGXHKBJTFNP-NHCUHLMSSA-N 2 1 324.468 2.771 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220659 427136457 /nfs/dbraw/zinc/13/64/57/427136457.db2.gz UWLVGXHKBJTFNP-NHCUHLMSSA-N 2 1 324.468 2.771 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000268978318 427141394 /nfs/dbraw/zinc/14/13/94/427141394.db2.gz HJHRRFVYEYAWRL-LSDHHAIUSA-N 2 1 324.465 2.711 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@@H](C)O[C@@H]2C)cc1F ZINC000296311084 427146037 /nfs/dbraw/zinc/14/60/37/427146037.db2.gz GPQXAJIAAIDXPN-XHBSWPGZSA-N 2 1 303.381 2.975 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284178603 427147823 /nfs/dbraw/zinc/14/78/23/427147823.db2.gz AIXIBCVVOUUJAH-OAHLLOKOSA-N 2 1 324.266 2.979 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)Cc3occc32)CC1 ZINC000128330778 271034433 /nfs/dbraw/zinc/03/44/33/271034433.db2.gz KKYHHRNIUYSVBG-KRWDZBQOSA-N 2 1 319.493 2.910 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000269280949 427161989 /nfs/dbraw/zinc/16/19/89/427161989.db2.gz KLHCCHGIWCYGFO-QFBILLFUSA-N 2 1 300.446 2.833 20 0 DFADMP CC(C)([NH2+]CCC[NH+]1CCCCC1)C(=O)NCC1CCCC1 ZINC000162189626 271082570 /nfs/dbraw/zinc/08/25/70/271082570.db2.gz PBLFRRWPWZTHEJ-UHFFFAOYSA-N 2 1 309.498 2.537 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000166446971 271096941 /nfs/dbraw/zinc/09/69/41/271096941.db2.gz ALPUOOVQRQKOPC-IRXDYDNUSA-N 2 1 321.509 2.619 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688768 271204531 /nfs/dbraw/zinc/20/45/31/271204531.db2.gz MFZRKFDATTYEFK-NEPJUHHUSA-N 2 1 314.367 2.566 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688768 271204533 /nfs/dbraw/zinc/20/45/33/271204533.db2.gz MFZRKFDATTYEFK-NEPJUHHUSA-N 2 1 314.367 2.566 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCC(F)(F)C(F)F)[C@H](C)C1 ZINC000189688768 271204536 /nfs/dbraw/zinc/20/45/36/271204536.db2.gz MFZRKFDATTYEFK-NEPJUHHUSA-N 2 1 314.367 2.566 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC[N@H+]1C ZINC000230406480 271238713 /nfs/dbraw/zinc/23/87/13/271238713.db2.gz GFEZCKBHLUDBQD-KGLIPLIRSA-N 2 1 311.470 2.506 20 0 DFADMP COc1cccc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n1 ZINC000190727895 427169032 /nfs/dbraw/zinc/16/90/32/427169032.db2.gz DQJTZYUNFBVJGN-UHFFFAOYSA-N 2 1 311.429 2.976 20 0 DFADMP [NH3+]CCCCCCC(=O)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000237998689 271256034 /nfs/dbraw/zinc/25/60/34/271256034.db2.gz HGZQSMBOCHAYPB-SFHVURJKSA-N 2 1 317.477 2.676 20 0 DFADMP Cc1cc(C)cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000264380908 271273468 /nfs/dbraw/zinc/27/34/68/271273468.db2.gz OVDBBZFOKWCUMD-QGZVFWFLSA-N 2 1 304.478 2.828 20 0 DFADMP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CCc1ccnn1C ZINC000284280629 427170325 /nfs/dbraw/zinc/17/03/25/427170325.db2.gz FJSOBPKBIRZZAX-QGZVFWFLSA-N 2 1 323.444 2.785 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000303394885 271365143 /nfs/dbraw/zinc/36/51/43/271365143.db2.gz XGRHAFKBAZGUTK-LMCOJAPRSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC000303394885 271365146 /nfs/dbraw/zinc/36/51/46/271365146.db2.gz XGRHAFKBAZGUTK-LMCOJAPRSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)C[NH+]1Cc1ccccc1 ZINC000303394885 271365149 /nfs/dbraw/zinc/36/51/49/271365149.db2.gz XGRHAFKBAZGUTK-LMCOJAPRSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000303394885 271365155 /nfs/dbraw/zinc/36/51/55/271365155.db2.gz XGRHAFKBAZGUTK-LMCOJAPRSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CN1Cc1ccccc1 ZINC000303394885 271365159 /nfs/dbraw/zinc/36/51/59/271365159.db2.gz XGRHAFKBAZGUTK-LMCOJAPRSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183174631 427216781 /nfs/dbraw/zinc/21/67/81/427216781.db2.gz YWORHWFGJMLSMF-RBSFLKMASA-N 2 1 313.486 2.610 20 0 DFADMP COc1cccc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000190773618 427178599 /nfs/dbraw/zinc/17/85/99/427178599.db2.gz GFUQVCFJWKRZQI-IYBDPMFKSA-N 2 1 305.466 2.938 20 0 DFADMP Cc1ccc2ncc(CNCc3ccnc(N4CCCC4)c3)n2c1 ZINC000269364450 427179807 /nfs/dbraw/zinc/17/98/07/427179807.db2.gz QJOFOESBEJODMZ-UHFFFAOYSA-N 2 1 321.428 2.928 20 0 DFADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000183050497 427190949 /nfs/dbraw/zinc/19/09/49/427190949.db2.gz BHMOUDWRJXTHCV-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@@H+]1CCO[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]21 ZINC000284894685 427198710 /nfs/dbraw/zinc/19/87/10/427198710.db2.gz HHHXXMIXFNCTND-IAGOWNOFSA-N 2 1 317.820 2.798 20 0 DFADMP C[N@H+]1CCO[C@@H]2CCN(c3cc[nH+]c4cc(Cl)ccc43)C[C@H]21 ZINC000284894685 427198712 /nfs/dbraw/zinc/19/87/12/427198712.db2.gz HHHXXMIXFNCTND-IAGOWNOFSA-N 2 1 317.820 2.798 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000190956663 427213531 /nfs/dbraw/zinc/21/35/31/427213531.db2.gz XJWZBGRBKCIOSV-QGZVFWFLSA-N 2 1 304.482 2.748 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000190956663 427213539 /nfs/dbraw/zinc/21/35/39/427213539.db2.gz XJWZBGRBKCIOSV-QGZVFWFLSA-N 2 1 304.482 2.748 20 0 DFADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000277468877 427213743 /nfs/dbraw/zinc/21/37/43/427213743.db2.gz LVNJPVRGPCUFIL-IRXDYDNUSA-N 2 1 320.477 2.804 20 0 DFADMP C[C@@H](CCc1ccc(O)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277468877 427213748 /nfs/dbraw/zinc/21/37/48/427213748.db2.gz LVNJPVRGPCUFIL-IRXDYDNUSA-N 2 1 320.477 2.804 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc(OC)c1OC ZINC000293316122 427285517 /nfs/dbraw/zinc/28/55/17/427285517.db2.gz FKJAHGZXRZOYDD-STQMWFEESA-N 2 1 310.438 2.561 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[C@H]4OCC[N@@H+](C)[C@@H]4C3)c2c1 ZINC000296730451 427229272 /nfs/dbraw/zinc/22/92/72/427229272.db2.gz IOXJSTYNTWGEAU-RTBURBONSA-N 2 1 311.429 2.707 20 0 DFADMP CC[NH+](CC)CCCN(C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000338279932 427231666 /nfs/dbraw/zinc/23/16/66/427231666.db2.gz BPUTXBIHUUKMKE-IBGZPJMESA-N 2 1 303.494 2.925 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCn2cc[nH+]c2C)c(C)c1OC ZINC000285515894 427257762 /nfs/dbraw/zinc/25/77/62/427257762.db2.gz AWXPDIFHJOFSFB-ZDUSSCGKSA-N 2 1 303.406 2.868 20 0 DFADMP CCc1cc(N[C@@H](C)CN2CC[NH+](C)CC2)c2ccccc2[nH+]1 ZINC000269724237 427264794 /nfs/dbraw/zinc/26/47/94/427264794.db2.gz CYWVIDXWRXRWIK-HNNXBMFYSA-N 2 1 312.461 2.845 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000269804007 427280437 /nfs/dbraw/zinc/28/04/37/427280437.db2.gz KKRZORKODQVVHY-HOJAQTOUSA-N 2 1 314.473 2.815 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CC=CCC1 ZINC000269804007 427280441 /nfs/dbraw/zinc/28/04/41/427280441.db2.gz KKRZORKODQVVHY-HOJAQTOUSA-N 2 1 314.473 2.815 20 0 DFADMP CC(C)[C@@H](O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293363405 427300682 /nfs/dbraw/zinc/30/06/82/427300682.db2.gz ONLWHPSZOBVGRS-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293363405 427300690 /nfs/dbraw/zinc/30/06/90/427300690.db2.gz ONLWHPSZOBVGRS-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293363405 427300695 /nfs/dbraw/zinc/30/06/95/427300695.db2.gz ONLWHPSZOBVGRS-RBUKOAKNSA-N 2 1 302.462 2.601 20 0 DFADMP CCNC(=O)[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000285668037 427304416 /nfs/dbraw/zinc/30/44/16/427304416.db2.gz NEUKOQCLRZWDNC-FAEJEUNOSA-N 2 1 317.477 2.544 20 0 DFADMP COc1c(C)c[nH+]c(CN2C[C@H]([NH+]3CCCC3)C[C@@H]2C)c1C ZINC000285695102 427312844 /nfs/dbraw/zinc/31/28/44/427312844.db2.gz VOKCKIVGJYXEKN-GOEBONIOSA-N 2 1 303.450 2.766 20 0 DFADMP Cc1cc(NC(=O)N2CCC[C@H]([NH+](C)C)CC2)cn2cc[nH+]c12 ZINC000297116301 427335279 /nfs/dbraw/zinc/33/52/79/427335279.db2.gz XLQDLKULTGKVNJ-HNNXBMFYSA-N 2 1 315.421 2.591 20 0 DFADMP CCC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000261757220 427341593 /nfs/dbraw/zinc/34/15/93/427341593.db2.gz PKCFYJSKNUAHLG-MRXNPFEDSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)C1CC[NH2+]CC1 ZINC000261757220 427341599 /nfs/dbraw/zinc/34/15/99/427341599.db2.gz PKCFYJSKNUAHLG-MRXNPFEDSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C/C=C/c2ccc(F)cc2)CCCO1 ZINC000277862571 427343678 /nfs/dbraw/zinc/34/36/78/427343678.db2.gz NFMBDBBTQQMJHG-OUGHUQCRSA-N 2 1 306.425 2.929 20 0 DFADMP CC1CCN(C(=[NH2+])NC[C@H](c2ccco2)[NH+]2CCCC2)CC1 ZINC000261887133 427344267 /nfs/dbraw/zinc/34/42/67/427344267.db2.gz SDGUWIFOBYYIQV-OAHLLOKOSA-N 2 1 304.438 2.673 20 0 DFADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261970070 427348247 /nfs/dbraw/zinc/34/82/47/427348247.db2.gz YVRCVRMYCMHWHP-OXJNMPFZSA-N 2 1 309.457 2.880 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293519317 427350456 /nfs/dbraw/zinc/35/04/56/427350456.db2.gz UGFZDAXQIVJSAP-GJZGRUSLSA-N 2 1 315.461 2.523 20 0 DFADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000293327450 427288253 /nfs/dbraw/zinc/28/82/53/427288253.db2.gz IUYHHODMYUMNIX-WMZOPIPTSA-N 2 1 317.477 2.675 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@@H]13)CC2 ZINC000269861964 427294929 /nfs/dbraw/zinc/29/49/29/427294929.db2.gz JKCYFOSVISGCGB-NEWSRXKRSA-N 2 1 300.446 2.769 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@@H]13)CC2 ZINC000269861964 427294935 /nfs/dbraw/zinc/29/49/35/427294935.db2.gz JKCYFOSVISGCGB-NEWSRXKRSA-N 2 1 300.446 2.769 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cccc(F)c1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285636935 427295427 /nfs/dbraw/zinc/29/54/27/427295427.db2.gz XLOPTDFARCNIDQ-SJPCQFCGSA-N 2 1 319.424 2.711 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])c1 ZINC000262896437 427377874 /nfs/dbraw/zinc/37/78/74/427377874.db2.gz DCQFWTRDFZZNNA-MJGOQNOKSA-N 2 1 317.477 2.662 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@H](n2cnc3c2CCCC3)C1 ZINC000338566160 427380898 /nfs/dbraw/zinc/38/08/98/427380898.db2.gz FSKKTFCROZJJIH-AWEZNQCLSA-N 2 1 319.449 2.598 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1 ZINC000338566161 427381722 /nfs/dbraw/zinc/38/17/22/427381722.db2.gz FSKKTFCROZJJIH-CQSZACIVSA-N 2 1 319.449 2.598 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293635031 427390574 /nfs/dbraw/zinc/39/05/74/427390574.db2.gz GUTIYFXLAXKEBD-DYEKYZERSA-N 2 1 315.383 2.961 20 0 DFADMP c1c[nH]c([C@@H]([NH2+]CCCCC[NH+]2CCCC2)c2cccnc2)n1 ZINC000293634860 427391434 /nfs/dbraw/zinc/39/14/34/427391434.db2.gz GTCBJUKLADZBJA-KRWDZBQOSA-N 2 1 313.449 2.750 20 0 DFADMP O[C@@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000293636269 427391763 /nfs/dbraw/zinc/39/17/63/427391763.db2.gz XFVRFKSZLFVFKZ-IBGZPJMESA-N 2 1 320.452 2.679 20 0 DFADMP CC[C@@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000184150082 427406401 /nfs/dbraw/zinc/40/64/01/427406401.db2.gz NOXROHKKOIUJSL-RDJZCZTQSA-N 2 1 323.868 2.591 20 0 DFADMP CC(C)(CCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000293691008 427408314 /nfs/dbraw/zinc/40/83/14/427408314.db2.gz PBXXWEVSBICFPJ-QGZVFWFLSA-N 2 1 317.477 2.532 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297639256 427415799 /nfs/dbraw/zinc/41/57/99/427415799.db2.gz MPGUUCDEXLVMSN-UHFFFAOYSA-N 2 1 318.461 2.737 20 0 DFADMP Cn1cncc1CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000297636955 427416089 /nfs/dbraw/zinc/41/60/89/427416089.db2.gz MJWJAODOKMUIFB-HXUWFJFHSA-N 2 1 324.472 2.561 20 0 DFADMP Cn1cncc1CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000297636955 427416097 /nfs/dbraw/zinc/41/60/97/427416097.db2.gz MJWJAODOKMUIFB-HXUWFJFHSA-N 2 1 324.472 2.561 20 0 DFADMP Cn1cncc1CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000297636955 427416103 /nfs/dbraw/zinc/41/61/03/427416103.db2.gz MJWJAODOKMUIFB-HXUWFJFHSA-N 2 1 324.472 2.561 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H](C)[S@]1=O ZINC000285861529 427356880 /nfs/dbraw/zinc/35/68/80/427356880.db2.gz INYYARYOPCUGLA-UZSYQUHHSA-N 2 1 317.458 2.604 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@@H](C)[S@]1=O ZINC000285861529 427356887 /nfs/dbraw/zinc/35/68/87/427356887.db2.gz INYYARYOPCUGLA-UZSYQUHHSA-N 2 1 317.458 2.604 20 0 DFADMP COCCC[N@@H+](CCOC)Cc1ccc(-n2ccnc2)cc1C ZINC000191955620 427451938 /nfs/dbraw/zinc/45/19/38/427451938.db2.gz NRDNZGBJOZFTHF-UHFFFAOYSA-N 2 1 317.433 2.666 20 0 DFADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)c1 ZINC000184416449 427455828 /nfs/dbraw/zinc/45/58/28/427455828.db2.gz IMYKNRXMWCRKBQ-IPELMVKDSA-N 2 1 317.477 2.809 20 0 DFADMP Cc1nccc(N2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)n1 ZINC000286239813 427462741 /nfs/dbraw/zinc/46/27/41/427462741.db2.gz FHECJGCJUMQNEF-IBGZPJMESA-N 2 1 308.429 2.887 20 0 DFADMP CC(C)C[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000184571372 427488867 /nfs/dbraw/zinc/48/88/67/427488867.db2.gz XZKXUZQDKDDJQP-GOSISDBHSA-N 2 1 319.493 2.772 20 0 DFADMP COCC[NH+]1CCC([NH2+]CC2CC(c3ccccc3)C2)CC1 ZINC000338775448 427483243 /nfs/dbraw/zinc/48/32/43/427483243.db2.gz FIFQMOWFCLORHG-UHFFFAOYSA-N 2 1 302.462 2.881 20 0 DFADMP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000293901334 427483363 /nfs/dbraw/zinc/48/33/63/427483363.db2.gz ZPUCCHXTVMXAMY-INDMIFKZSA-N 2 1 302.462 2.648 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000191793202 427427734 /nfs/dbraw/zinc/42/77/34/427427734.db2.gz MWBOOHBEIPAJBH-INIZCTEOSA-N 2 1 315.465 2.641 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@H](c2nnc3ccccn32)C1 ZINC000191793202 427427738 /nfs/dbraw/zinc/42/77/38/427427738.db2.gz MWBOOHBEIPAJBH-INIZCTEOSA-N 2 1 315.465 2.641 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCN(Cc2ccccc2)[C@H]1C ZINC000293762870 427430385 /nfs/dbraw/zinc/43/03/85/427430385.db2.gz PDPIDYPFJBRLSN-QFBILLFUSA-N 2 1 312.461 2.834 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H](C)C[S@](C)=O)cc1 ZINC000184298282 427430880 /nfs/dbraw/zinc/43/08/80/427430880.db2.gz UQBCGUSRRXCJKM-BYVOGVQKSA-N 2 1 305.447 2.598 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000271192985 427443493 /nfs/dbraw/zinc/44/34/93/427443493.db2.gz MRZNPTKKRBCGTE-FZMZJTMJSA-N 2 1 321.494 2.570 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000286321245 427491500 /nfs/dbraw/zinc/49/15/00/427491500.db2.gz XOBDOBMQVOOGLY-CYBMUJFWSA-N 2 1 317.433 2.541 20 0 DFADMP c1c[nH]c([C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ccccc2)n1 ZINC000278896538 427492000 /nfs/dbraw/zinc/49/20/00/427492000.db2.gz FHJIBPFXQCRAIT-PBHICJAKSA-N 2 1 307.401 2.548 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)Cc1ccn(C(C)C)n1 ZINC000341189030 271789657 /nfs/dbraw/zinc/78/96/57/271789657.db2.gz NMRPYYVEPAYGAS-CABCVRRESA-N 2 1 303.454 2.826 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCc2[nH+]ccn2C1)c1nc2ccccc2n1C ZINC000278918168 427499783 /nfs/dbraw/zinc/49/97/83/427499783.db2.gz HNOQRCROHGPYCM-UONOGXRCSA-N 2 1 309.417 2.683 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@]3(C)CCCO3)CC2)nc(C)[nH+]1 ZINC000332099167 427510147 /nfs/dbraw/zinc/51/01/47/427510147.db2.gz CPBIBRCNCHZHPT-KSSFIOAISA-N 2 1 318.465 2.609 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437399 427537025 /nfs/dbraw/zinc/53/70/25/427537025.db2.gz RCASYOLNUQGKCW-WOJBJXKFSA-N 2 1 313.489 2.821 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]CCCc1nc2ccccc2n1C ZINC000185204252 427615227 /nfs/dbraw/zinc/61/52/27/427615227.db2.gz URFOBUOPARXTGE-UHFFFAOYSA-N 2 1 323.444 2.757 20 0 DFADMP C[C@H]1[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000287299064 427571000 /nfs/dbraw/zinc/57/10/00/427571000.db2.gz KOARJPAHBXECBJ-UKBAYJJMSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC[NH+]1Cc1ccccc1 ZINC000287299064 427571006 /nfs/dbraw/zinc/57/10/06/427571006.db2.gz KOARJPAHBXECBJ-UKBAYJJMSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1[C@H]([NH2+][C@@H]2CCN(C)[C@H](C)C2)CCN1Cc1ccccc1 ZINC000287299064 427571018 /nfs/dbraw/zinc/57/10/18/427571018.db2.gz KOARJPAHBXECBJ-UKBAYJJMSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304415 427572820 /nfs/dbraw/zinc/57/28/20/427572820.db2.gz COCXUEAIDGUFHJ-QGTPRVQTSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN2CCCC[C@@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304415 427572824 /nfs/dbraw/zinc/57/28/24/427572824.db2.gz COCXUEAIDGUFHJ-QGTPRVQTSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304415 427572827 /nfs/dbraw/zinc/57/28/27/427572827.db2.gz COCXUEAIDGUFHJ-QGTPRVQTSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304415 427572832 /nfs/dbraw/zinc/57/28/32/427572832.db2.gz COCXUEAIDGUFHJ-QGTPRVQTSA-N 2 1 311.433 2.545 20 0 DFADMP CCc1oc(CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1C(=O)OC ZINC000338944961 427577600 /nfs/dbraw/zinc/57/76/00/427577600.db2.gz PFOBWQSGGMGVFK-XJKSGUPXSA-N 2 1 322.449 2.791 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287317046 427578309 /nfs/dbraw/zinc/57/83/09/427578309.db2.gz DGPCLTQZKPAENS-LSDHHAIUSA-N 2 1 324.432 2.759 20 0 DFADMP CC(C)[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCC(C)CC1 ZINC000192662382 427582642 /nfs/dbraw/zinc/58/26/42/427582642.db2.gz GPGVTENCEGIFBY-XVLXNVKGSA-N 3 1 307.526 2.958 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192851505 427623416 /nfs/dbraw/zinc/62/34/16/427623416.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000192851505 427623421 /nfs/dbraw/zinc/62/34/21/427623421.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000192851505 427623426 /nfs/dbraw/zinc/62/34/26/427623426.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)Cc1ccccc1 ZINC000192851505 427623433 /nfs/dbraw/zinc/62/34/33/427623433.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)Cc1ccccc1 ZINC000192851505 427623439 /nfs/dbraw/zinc/62/34/39/427623439.db2.gz VBAPCTFMVRYCJD-UXDRXVOSSA-N 2 1 301.478 2.722 20 0 DFADMP CC1(c2ccccc2)CC([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000294228162 427591674 /nfs/dbraw/zinc/59/16/74/427591674.db2.gz OBQAJEIDUJVPJE-UHFFFAOYSA-N 2 1 302.462 2.543 20 0 DFADMP CC[N@H+]1CC[C@@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921375 427634099 /nfs/dbraw/zinc/63/40/99/427634099.db2.gz ZNQLFWZCYAKVGK-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921375 427634110 /nfs/dbraw/zinc/63/41/10/427634110.db2.gz ZNQLFWZCYAKVGK-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921375 427634118 /nfs/dbraw/zinc/63/41/18/427634118.db2.gz ZNQLFWZCYAKVGK-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921375 427634128 /nfs/dbraw/zinc/63/41/28/427634128.db2.gz ZNQLFWZCYAKVGK-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921375 427634140 /nfs/dbraw/zinc/63/41/40/427634140.db2.gz ZNQLFWZCYAKVGK-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000192921375 427634149 /nfs/dbraw/zinc/63/41/49/427634149.db2.gz ZNQLFWZCYAKVGK-YZGWKJHDSA-N 3 1 315.505 2.828 20 0 DFADMP CC(C)[NH+]1CCC(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927587 427634568 /nfs/dbraw/zinc/63/45/68/427634568.db2.gz JQUHTMCONVBNHY-IBGZPJMESA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000192927587 427634577 /nfs/dbraw/zinc/63/45/77/427634577.db2.gz JQUHTMCONVBNHY-IBGZPJMESA-N 3 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000192927587 427634584 /nfs/dbraw/zinc/63/45/84/427634584.db2.gz JQUHTMCONVBNHY-IBGZPJMESA-N 3 1 315.505 2.971 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000287552417 427634610 /nfs/dbraw/zinc/63/46/10/427634610.db2.gz AQYLWWUHHPEZAK-RDJZCZTQSA-N 2 1 310.869 2.517 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+](Cc3ccccc3)C2)C[N@H+]1C1CC1 ZINC000192927253 427636161 /nfs/dbraw/zinc/63/61/61/427636161.db2.gz NGPJGKFKVHNQNT-NZSAHSFTSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000192927253 427636166 /nfs/dbraw/zinc/63/61/66/427636166.db2.gz NGPJGKFKVHNQNT-NZSAHSFTSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[NH+]1C1CC1 ZINC000192927253 427636172 /nfs/dbraw/zinc/63/61/72/427636172.db2.gz NGPJGKFKVHNQNT-NZSAHSFTSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000192927253 427636177 /nfs/dbraw/zinc/63/61/77/427636177.db2.gz NGPJGKFKVHNQNT-NZSAHSFTSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CN1C1CC1 ZINC000192927253 427636184 /nfs/dbraw/zinc/63/61/84/427636184.db2.gz NGPJGKFKVHNQNT-NZSAHSFTSA-N 2 1 313.489 2.723 20 0 DFADMP O[C@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000287586291 427647137 /nfs/dbraw/zinc/64/71/37/427647137.db2.gz CNXAVUHMNCGZBU-FUHWJXTLSA-N 2 1 322.880 2.661 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NCc1nccn1CC(F)(F)F ZINC000342422332 272009267 /nfs/dbraw/zinc/00/92/67/272009267.db2.gz PLZXKHKZZLKXBD-LBPRGKRZSA-N 2 1 306.376 2.655 20 0 DFADMP CCCCCC(=O)NC1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000342860148 272064171 /nfs/dbraw/zinc/06/41/71/272064171.db2.gz NZHTUUJDPCUJSQ-UHFFFAOYSA-N 2 1 320.481 2.743 20 0 DFADMP Cc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000342928049 272066900 /nfs/dbraw/zinc/06/69/00/272066900.db2.gz PMNWLHRIMBMBTJ-QXAKKESOSA-N 2 1 302.462 2.987 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000342944179 272069755 /nfs/dbraw/zinc/06/97/55/272069755.db2.gz IUXKXQYJGLBNMH-YTQUADARSA-N 2 1 303.494 2.999 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(Cl)cc32)CC1 ZINC000343101792 272086064 /nfs/dbraw/zinc/08/60/64/272086064.db2.gz JFRIZPFNZPYJHR-GOSISDBHSA-N 2 1 321.896 2.945 20 0 DFADMP CC[N@@H+]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)C1 ZINC000343164547 272092126 /nfs/dbraw/zinc/09/21/26/272092126.db2.gz WHBZKXIFOXTAOJ-PXNSSMCTSA-N 2 1 315.505 2.623 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000343164549 272092356 /nfs/dbraw/zinc/09/23/56/272092356.db2.gz WHBZKXIFOXTAOJ-YLJYHZDGSA-N 2 1 315.505 2.623 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nccn1Cc1ccccc1 ZINC000343190307 272095154 /nfs/dbraw/zinc/09/51/54/272095154.db2.gz DMZGRMYQPGSPNS-INIZCTEOSA-N 2 1 323.444 2.862 20 0 DFADMP Cc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000343255245 272106882 /nfs/dbraw/zinc/10/68/82/272106882.db2.gz XTBWKMIQOBMTRW-IPMKNSEASA-N 2 1 318.461 2.511 20 0 DFADMP Cc1cc(N(C)C[C@@H]2OCC[N@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000343321960 272118801 /nfs/dbraw/zinc/11/88/01/272118801.db2.gz PBQLLAHEYCIXMA-RBUKOAKNSA-N 2 1 311.429 2.898 20 0 DFADMP Cc1cc(N(C)C[C@@H]2OCC[N@@H+](C)[C@@H]2c2ccccc2)cc[nH+]1 ZINC000343321960 272118804 /nfs/dbraw/zinc/11/88/04/272118804.db2.gz PBQLLAHEYCIXMA-RBUKOAKNSA-N 2 1 311.429 2.898 20 0 DFADMP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000343473890 272156038 /nfs/dbraw/zinc/15/60/38/272156038.db2.gz MBUXFBMEJUZKDT-FUHIMQAGSA-N 2 1 315.505 2.958 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000343532286 272165707 /nfs/dbraw/zinc/16/57/07/272165707.db2.gz VRWJIHRRXQOWFN-WMZOPIPTSA-N 2 1 319.493 2.744 20 0 DFADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[N@H+](CC)C[C@@H]2C)c1 ZINC000343557945 272169508 /nfs/dbraw/zinc/16/95/08/272169508.db2.gz GOESZZDYEPTGDX-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(CN[C@@H]2C[N@@H+](CC)C[C@@H]2C)c1 ZINC000343557945 272169511 /nfs/dbraw/zinc/16/95/11/272169511.db2.gz GOESZZDYEPTGDX-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)C1 ZINC000343575532 272174859 /nfs/dbraw/zinc/17/48/59/272174859.db2.gz QTEJMYDOZXJZCA-YLJYHZDGSA-N 2 1 315.505 2.889 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000343641141 272190808 /nfs/dbraw/zinc/19/08/08/272190808.db2.gz NXUQHLQVBQUJLU-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000343641141 272190810 /nfs/dbraw/zinc/19/08/10/272190810.db2.gz NXUQHLQVBQUJLU-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000343641141 272190813 /nfs/dbraw/zinc/19/08/13/272190813.db2.gz NXUQHLQVBQUJLU-ROUUACIJSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CCCO1 ZINC000343670999 272198350 /nfs/dbraw/zinc/19/83/50/272198350.db2.gz DRFKKBIXWIOSNF-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCCC[N@H+]2C[C@@H]1C ZINC000343676420 272199215 /nfs/dbraw/zinc/19/92/15/272199215.db2.gz TXERJIWOIMJLDG-ROUUACIJSA-N 2 1 323.525 2.974 20 0 DFADMP C[N@@H+](C[C@@H](O)C(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000343723945 272208645 /nfs/dbraw/zinc/20/86/45/272208645.db2.gz YAZPTEMXKLAYGY-QGZVFWFLSA-N 2 1 305.466 2.637 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343730536 272209540 /nfs/dbraw/zinc/20/95/40/272209540.db2.gz OLNUXJWITQRVDX-CVEARBPZSA-N 2 1 319.468 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000298703804 427680857 /nfs/dbraw/zinc/68/08/57/427680857.db2.gz QSVSZRCJBASXES-UHFFFAOYSA-N 2 1 313.430 2.890 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCCCC2 ZINC000344029249 272251415 /nfs/dbraw/zinc/25/14/15/272251415.db2.gz BQGQAEASCSICDR-IRXDYDNUSA-N 2 1 312.498 2.672 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C)nc1C ZINC000344147227 272273280 /nfs/dbraw/zinc/27/32/80/272273280.db2.gz CUGAEBKWQJTJCH-UHFFFAOYSA-N 2 1 318.509 2.548 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3F)CC2)CC1 ZINC000344267096 272300795 /nfs/dbraw/zinc/30/07/95/272300795.db2.gz ITGCXMRQLYHFFM-UHFFFAOYSA-N 2 1 319.468 2.818 20 0 DFADMP CCn1ccnc1[C@@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000344268785 272301660 /nfs/dbraw/zinc/30/16/60/272301660.db2.gz WWZKQZCBCCQPPM-HZPDHXFCSA-N 2 1 320.481 2.586 20 0 DFADMP O[C@]1(C[NH2+]Cc2cccc(F)c2)CC[N@H+](Cc2ccccc2)C1 ZINC000344516919 272333042 /nfs/dbraw/zinc/33/30/42/272333042.db2.gz GJVNJSLQRKCFIE-IBGZPJMESA-N 2 1 314.404 2.552 20 0 DFADMP O[C@]1(C[NH2+]Cc2cccc(F)c2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344516919 272333045 /nfs/dbraw/zinc/33/30/45/272333045.db2.gz GJVNJSLQRKCFIE-IBGZPJMESA-N 2 1 314.404 2.552 20 0 DFADMP CC[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000344518767 272333214 /nfs/dbraw/zinc/33/32/14/272333214.db2.gz BXWXQXKBGMESPW-IAGOWNOFSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000344698833 272357317 /nfs/dbraw/zinc/35/73/17/272357317.db2.gz YXSBSZCPMXBJAC-NUJGCVRESA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000344698833 272357319 /nfs/dbraw/zinc/35/73/19/272357319.db2.gz YXSBSZCPMXBJAC-NUJGCVRESA-N 2 1 317.477 2.526 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832619 272375645 /nfs/dbraw/zinc/37/56/45/272375645.db2.gz PBULRGKNMKFJFO-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832619 272375649 /nfs/dbraw/zinc/37/56/49/272375649.db2.gz PBULRGKNMKFJFO-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000344832619 272375651 /nfs/dbraw/zinc/37/56/51/272375651.db2.gz PBULRGKNMKFJFO-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(C)n1 ZINC000333789323 427690385 /nfs/dbraw/zinc/69/03/85/427690385.db2.gz FYMZKELFZBTHON-IPAJBWBYSA-N 2 1 314.477 2.898 20 0 DFADMP C[C@@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272283092 427696163 /nfs/dbraw/zinc/69/61/63/427696163.db2.gz AMLOFAQGUZGXGR-KANFNMMFSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[N@@H+](C)CCCNCc1ccccc1N1CCO[C@H](C)C1 ZINC000298780995 427703394 /nfs/dbraw/zinc/70/33/94/427703394.db2.gz MODUOMXMANJEHA-QGZVFWFLSA-N 2 1 319.493 2.732 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000298780995 427703402 /nfs/dbraw/zinc/70/34/02/427703402.db2.gz MODUOMXMANJEHA-QGZVFWFLSA-N 2 1 319.493 2.732 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000298780995 427703410 /nfs/dbraw/zinc/70/34/10/427703410.db2.gz MODUOMXMANJEHA-QGZVFWFLSA-N 2 1 319.493 2.732 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]1C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000333896034 427705516 /nfs/dbraw/zinc/70/55/16/427705516.db2.gz YHAJYYUBLAVZDX-DOMZBBRYSA-N 2 1 303.431 2.629 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CCCC(=O)OC)C2)CC1 ZINC000339163401 427712103 /nfs/dbraw/zinc/71/21/03/427712103.db2.gz DMHLKZIUKZZYDV-DOTOQJQBSA-N 2 1 310.482 2.962 20 0 DFADMP Cc1cc(Cl)cc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c1 ZINC000339387522 427765629 /nfs/dbraw/zinc/76/56/29/427765629.db2.gz KPPYKGBRIWKTOZ-UHFFFAOYSA-N 2 1 309.885 2.764 20 0 DFADMP Cc1ccc(CCC[N@@H+]2C[C@@H](c3ccccc3)[C@@H](C[NH3+])C2)cn1 ZINC000339406875 427768844 /nfs/dbraw/zinc/76/88/44/427768844.db2.gz GZVHKZMOQWSACR-PMACEKPBSA-N 2 1 309.457 2.997 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000339410280 427770128 /nfs/dbraw/zinc/77/01/28/427770128.db2.gz QMGVLNNEPDRJQJ-SFHVURJKSA-N 2 1 318.440 2.876 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000339410280 427770131 /nfs/dbraw/zinc/77/01/31/427770131.db2.gz QMGVLNNEPDRJQJ-SFHVURJKSA-N 2 1 318.440 2.876 20 0 DFADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@@H](CO)C(C)C)cc1 ZINC000339431725 427773859 /nfs/dbraw/zinc/77/38/59/427773859.db2.gz UUFWGADDRNARKK-MJGOQNOKSA-N 2 1 320.477 2.514 20 0 DFADMP COC(=O)c1oc([C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000339433058 427774149 /nfs/dbraw/zinc/77/41/49/427774149.db2.gz IYDWVELPQLQBJO-KSSFIOAISA-N 2 1 320.433 2.853 20 0 DFADMP O[C@H](C[NH2+]Cc1ccc(C2CCC2)cc1)C[NH+]1CCCCC1 ZINC000339200434 427728243 /nfs/dbraw/zinc/72/82/43/427728243.db2.gz MRIYXHLOWAUBGO-LJQANCHMSA-N 2 1 302.462 2.891 20 0 DFADMP Cn1c(NCC2(C[NH+](C)C)CCCC2)[nH+]c2cccc(F)c21 ZINC000337029751 427790188 /nfs/dbraw/zinc/79/01/88/427790188.db2.gz XMTAQIBAEKPUMA-UHFFFAOYSA-N 2 1 304.413 3.246 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2CC[NH+](CC3CC3)CC2)o1 ZINC000194361982 427740540 /nfs/dbraw/zinc/74/05/40/427740540.db2.gz ASYRGZZLNGCURL-UHFFFAOYSA-N 2 1 314.433 2.942 20 0 DFADMP CN(CC[NH+]1CCCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723941 427750970 /nfs/dbraw/zinc/75/09/70/427750970.db2.gz WUPFTHYFSAOJLY-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1noc(CN)n1 ZINC000337055690 427793306 /nfs/dbraw/zinc/79/33/06/427793306.db2.gz URMHHNIIJTUOON-OAHLLOKOSA-N 2 1 302.422 2.680 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1noc(CN)n1 ZINC000337055690 427793309 /nfs/dbraw/zinc/79/33/09/427793309.db2.gz URMHHNIIJTUOON-OAHLLOKOSA-N 2 1 302.422 2.680 20 0 DFADMP Cc1nc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301668225 427814061 /nfs/dbraw/zinc/81/40/61/427814061.db2.gz NBYSZCUYLPZVFW-BETUJISGSA-N 2 1 306.454 2.703 20 0 DFADMP Cc1nc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301668225 427814063 /nfs/dbraw/zinc/81/40/63/427814063.db2.gz NBYSZCUYLPZVFW-BETUJISGSA-N 2 1 306.454 2.703 20 0 DFADMP Cc1nc(NCCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c(C)c(C)[nH+]1 ZINC000301668227 427814313 /nfs/dbraw/zinc/81/43/13/427814313.db2.gz NBYSZCUYLPZVFW-STQMWFEESA-N 2 1 306.454 2.703 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCC2)C[C@@H]1c1ccccc1 ZINC000340377201 427835059 /nfs/dbraw/zinc/83/50/59/427835059.db2.gz SSPINYJUSZDFEZ-IPMKNSEASA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)CC2CCC2)C[C@@H]1c1ccccc1 ZINC000340377201 427835064 /nfs/dbraw/zinc/83/50/64/427835064.db2.gz SSPINYJUSZDFEZ-IPMKNSEASA-N 2 1 302.462 2.963 20 0 DFADMP Cc1[nH+]ccc(N2CC[N@@H+](C3CCOCC3)C[C@@H]2C)c1Cl ZINC000355678519 427845529 /nfs/dbraw/zinc/84/55/29/427845529.db2.gz FDARLTAQBWLXOI-LBPRGKRZSA-N 2 1 309.841 2.733 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000340439207 427849714 /nfs/dbraw/zinc/84/97/14/427849714.db2.gz HZHNGHJGELCIDC-MOPGFXCFSA-N 2 1 302.462 2.881 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349725557 427852165 /nfs/dbraw/zinc/85/21/65/427852165.db2.gz XMFVRFMWNDAYFY-QCSYZSNVSA-N 2 1 306.425 2.976 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000349725557 427852170 /nfs/dbraw/zinc/85/21/70/427852170.db2.gz XMFVRFMWNDAYFY-QCSYZSNVSA-N 2 1 306.425 2.976 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340469548 427856841 /nfs/dbraw/zinc/85/68/41/427856841.db2.gz KQPQZFXFOMWJNX-BBWFWOEESA-N 2 1 321.513 2.749 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C[C@@H](C)C(C)C ZINC000340515006 427870377 /nfs/dbraw/zinc/87/03/77/427870377.db2.gz LIKZRRGGANXQKJ-SJORKVTESA-N 2 1 311.514 2.543 20 0 DFADMP CC(C)[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCC1 ZINC000359519175 427887374 /nfs/dbraw/zinc/88/73/74/427887374.db2.gz RDSOECUCXBNBHO-MSOLQXFVSA-N 2 1 323.525 2.830 20 0 DFADMP Cc1cc([C@H](C)[NH2+]Cc2cccc(OCC[NH+](C)C)c2)nn1C ZINC000337408041 427890500 /nfs/dbraw/zinc/89/05/00/427890500.db2.gz UHKWGGVXDSJQGH-HNNXBMFYSA-N 2 1 316.449 2.520 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427251 427900762 /nfs/dbraw/zinc/90/07/62/427900762.db2.gz BRGSXZXXVFLDGX-IAGOWNOFSA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427251 427900766 /nfs/dbraw/zinc/90/07/66/427900766.db2.gz BRGSXZXXVFLDGX-IAGOWNOFSA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427251 427900770 /nfs/dbraw/zinc/90/07/70/427900770.db2.gz BRGSXZXXVFLDGX-IAGOWNOFSA-N 2 1 316.493 2.883 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)N(C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000345785068 427903868 /nfs/dbraw/zinc/90/38/68/427903868.db2.gz XJGGWQGYHUIQHX-CVEARBPZSA-N 2 1 303.450 2.596 20 0 DFADMP Cc1cc(F)ccc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000337463843 427919088 /nfs/dbraw/zinc/91/90/88/427919088.db2.gz LQEWQCCYRBMABI-UHFFFAOYSA-N 2 1 321.484 2.982 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000345823310 427920168 /nfs/dbraw/zinc/92/01/68/427920168.db2.gz VFFPZMCHLBEOHP-RYRKJORJSA-N 2 1 309.498 2.522 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337469990 427920755 /nfs/dbraw/zinc/92/07/55/427920755.db2.gz NEEIEGLOBKNXAR-MHORFTMASA-N 2 1 312.498 2.671 20 0 DFADMP COCCOCCCC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340220898 427958592 /nfs/dbraw/zinc/95/85/92/427958592.db2.gz RBLRTLUWGBQPJX-RBUKOAKNSA-N 2 1 320.477 2.855 20 0 DFADMP COCCOCCCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340220898 427958598 /nfs/dbraw/zinc/95/85/98/427958598.db2.gz RBLRTLUWGBQPJX-RBUKOAKNSA-N 2 1 320.477 2.855 20 0 DFADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340223098 427959584 /nfs/dbraw/zinc/95/95/84/427959584.db2.gz SSHQWMASEIUHMF-MOPGFXCFSA-N 2 1 312.461 2.778 20 0 DFADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)cn1 ZINC000340223098 427959587 /nfs/dbraw/zinc/95/95/87/427959587.db2.gz SSHQWMASEIUHMF-MOPGFXCFSA-N 2 1 312.461 2.778 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCCC23CCCC3)C1 ZINC000340228246 427961601 /nfs/dbraw/zinc/96/16/01/427961601.db2.gz JTZORCRZLCOAMO-SJORKVTESA-N 2 1 321.509 2.666 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000359666063 427965280 /nfs/dbraw/zinc/96/52/80/427965280.db2.gz VJTMXVBTXUXCLE-RDTXWAMCSA-N 2 1 315.461 2.855 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000359666063 427965284 /nfs/dbraw/zinc/96/52/84/427965284.db2.gz VJTMXVBTXUXCLE-RDTXWAMCSA-N 2 1 315.461 2.855 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000346981502 272706506 /nfs/dbraw/zinc/70/65/06/272706506.db2.gz OBIIVTNPIJYJOQ-CABCVRRESA-N 2 1 320.481 2.776 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)ccc1OCC(C)C ZINC000347031207 272714251 /nfs/dbraw/zinc/71/42/51/272714251.db2.gz YKIZSRDLKOKYTM-INIZCTEOSA-N 2 1 306.450 2.901 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)ccc1OCC(C)C ZINC000347031207 272714253 /nfs/dbraw/zinc/71/42/53/272714253.db2.gz YKIZSRDLKOKYTM-INIZCTEOSA-N 2 1 306.450 2.901 20 0 DFADMP C[NH+](C)CCc1ccccc1NC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000356016710 427983354 /nfs/dbraw/zinc/98/33/54/427983354.db2.gz ZJGXAOZMRWPTPF-MRXNPFEDSA-N 2 1 312.417 2.503 20 0 DFADMP Cc1nc2c(c(N3CC[C@@H](C[N@@H+](C)CC4CC4)C3)n1)CCCC2 ZINC000359729210 427991763 /nfs/dbraw/zinc/99/17/63/427991763.db2.gz DTPUFSWOXVWLPW-INIZCTEOSA-N 2 1 314.477 2.832 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)Nc2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000345874539 427936320 /nfs/dbraw/zinc/93/63/20/427936320.db2.gz LFKOWTCGGONKIH-CABCVRRESA-N 2 1 318.465 2.695 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000304528124 427938392 /nfs/dbraw/zinc/93/83/92/427938392.db2.gz MHPDJFNCHLCGHR-VQIMIIECSA-N 2 1 320.452 2.975 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000304528124 427938401 /nfs/dbraw/zinc/93/84/01/427938401.db2.gz MHPDJFNCHLCGHR-VQIMIIECSA-N 2 1 320.452 2.975 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304528121 427939073 /nfs/dbraw/zinc/93/90/73/427939073.db2.gz MHPDJFNCHLCGHR-LPHOPBHVSA-N 2 1 320.452 2.975 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304528121 427939079 /nfs/dbraw/zinc/93/90/79/427939079.db2.gz MHPDJFNCHLCGHR-LPHOPBHVSA-N 2 1 320.452 2.975 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC000355903957 427940776 /nfs/dbraw/zinc/94/07/76/427940776.db2.gz INNRBVSJCGXWFO-ICSRJNTNSA-N 2 1 323.440 2.809 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000355915539 427946077 /nfs/dbraw/zinc/94/60/77/427946077.db2.gz HWXZKPTYNZWUNY-RYRKJORJSA-N 2 1 323.525 2.922 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H]1CCCCO1 ZINC000346131322 428030771 /nfs/dbraw/zinc/03/07/71/428030771.db2.gz ARMFWMGRCCOOLJ-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000341332798 428032977 /nfs/dbraw/zinc/03/29/77/428032977.db2.gz WQWQQQFGEFSQTB-HOTGVXAUSA-N 2 1 322.468 2.924 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376971943 428034799 /nfs/dbraw/zinc/03/47/99/428034799.db2.gz OIOQWRRAZCLXHF-HNNXBMFYSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376971943 428034806 /nfs/dbraw/zinc/03/48/06/428034806.db2.gz OIOQWRRAZCLXHF-HNNXBMFYSA-N 2 1 321.428 2.829 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCC[C@H]([C@H]3CCOC3)C1)C2 ZINC000341372566 428050991 /nfs/dbraw/zinc/05/09/91/428050991.db2.gz OEGQDVBTUFYHKP-LTIDMASMSA-N 2 1 303.450 2.630 20 0 DFADMP CC[C@H](C(=O)N1CC[N@@H+](C)CC12CCCCC2)[NH+](CC)CC ZINC000359861973 428051317 /nfs/dbraw/zinc/05/13/17/428051317.db2.gz UBMZJHVEWMSNAF-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCO1 ZINC000359864197 428051653 /nfs/dbraw/zinc/05/16/53/428051653.db2.gz AUYVWWHSBBVSTB-IEWDOMPSSA-N 2 1 324.509 2.671 20 0 DFADMP c1cnc(Oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cn1 ZINC000369757466 428053186 /nfs/dbraw/zinc/05/31/86/428053186.db2.gz MQJWKWWEPDTPLX-IRXDYDNUSA-N 2 1 324.428 2.985 20 0 DFADMP c1cnc(Oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cn1 ZINC000369757466 428053189 /nfs/dbraw/zinc/05/31/89/428053189.db2.gz MQJWKWWEPDTPLX-IRXDYDNUSA-N 2 1 324.428 2.985 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000359741040 427996738 /nfs/dbraw/zinc/99/67/38/427996738.db2.gz BWNNHURVPWFWGC-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359741040 427996741 /nfs/dbraw/zinc/99/67/41/427996741.db2.gz BWNNHURVPWFWGC-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359741040 427996746 /nfs/dbraw/zinc/99/67/46/427996746.db2.gz BWNNHURVPWFWGC-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CCC1 ZINC000340361088 427999214 /nfs/dbraw/zinc/99/92/14/427999214.db2.gz ZSMKGUFYQJCMIJ-ROUUACIJSA-N 2 1 301.478 2.896 20 0 DFADMP OC[C@H]1C=C[C@@H](N[C@H]2C[C@@H](C3CC3)[N@H+](Cc3ccccc3)C2)C1 ZINC000376892447 428019556 /nfs/dbraw/zinc/01/95/56/428019556.db2.gz NNTCIVHLZRWDOG-RNQOJCNYSA-N 2 1 312.457 2.566 20 0 DFADMP OC[C@H]1C=C[C@@H](N[C@H]2C[C@@H](C3CC3)[N@@H+](Cc3ccccc3)C2)C1 ZINC000376892447 428019562 /nfs/dbraw/zinc/01/95/62/428019562.db2.gz NNTCIVHLZRWDOG-RNQOJCNYSA-N 2 1 312.457 2.566 20 0 DFADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346213126 428073338 /nfs/dbraw/zinc/07/33/38/428073338.db2.gz JADOCCWFCPCIPQ-SJORKVTESA-N 2 1 311.514 2.543 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCn1cccn1 ZINC000369907461 428085500 /nfs/dbraw/zinc/08/55/00/428085500.db2.gz YOIQEIBEUQBFBW-IEBWSBKVSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCn1cccn1 ZINC000369907461 428085506 /nfs/dbraw/zinc/08/55/06/428085506.db2.gz YOIQEIBEUQBFBW-IEBWSBKVSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCn1cccn1 ZINC000369907461 428085512 /nfs/dbraw/zinc/08/55/12/428085512.db2.gz YOIQEIBEUQBFBW-IEBWSBKVSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCn1cccn1 ZINC000369907461 428085515 /nfs/dbraw/zinc/08/55/15/428085515.db2.gz YOIQEIBEUQBFBW-IEBWSBKVSA-N 2 1 312.461 2.726 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[NH+]2C[C@@H](C)C[C@H](C)C2)cn1 ZINC000359962198 428093263 /nfs/dbraw/zinc/09/32/63/428093263.db2.gz CQPIFOLEXORNJD-IRXDYDNUSA-N 2 1 318.509 2.995 20 0 DFADMP CCCCNC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000341536047 428094959 /nfs/dbraw/zinc/09/49/59/428094959.db2.gz TYPMQORRCYXXEZ-GOSISDBHSA-N 2 1 323.525 2.737 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000377261250 428095215 /nfs/dbraw/zinc/09/52/15/428095215.db2.gz IAFOCSKEMCXVMM-OAHLLOKOSA-N 2 1 321.440 2.938 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000377261250 428095218 /nfs/dbraw/zinc/09/52/18/428095218.db2.gz IAFOCSKEMCXVMM-OAHLLOKOSA-N 2 1 321.440 2.938 20 0 DFADMP CCC(O)(CC)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000359995631 428107938 /nfs/dbraw/zinc/10/79/38/428107938.db2.gz DJHOTXBDTSQJSG-UHFFFAOYSA-N 2 1 311.495 2.550 20 0 DFADMP CCC(O)(CC)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000359995631 428107942 /nfs/dbraw/zinc/10/79/42/428107942.db2.gz DJHOTXBDTSQJSG-UHFFFAOYSA-N 2 1 311.495 2.550 20 0 DFADMP COCCSCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000370010170 428109667 /nfs/dbraw/zinc/10/96/67/428109667.db2.gz RWXKCEMXSZODLG-UHFFFAOYSA-N 2 1 300.512 2.564 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000351853927 428112109 /nfs/dbraw/zinc/11/21/09/428112109.db2.gz PRKPBSFVDZVJOD-AAEUAGOBSA-N 2 1 302.340 2.797 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000346304019 428115360 /nfs/dbraw/zinc/11/53/60/428115360.db2.gz GRMDFIRMSPSZPN-UHFFFAOYSA-N 2 1 313.445 2.999 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)CC1(O)CCCC1 ZINC000346304019 428115365 /nfs/dbraw/zinc/11/53/65/428115365.db2.gz GRMDFIRMSPSZPN-UHFFFAOYSA-N 2 1 313.445 2.999 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(-n2ccnc2)cc1 ZINC000360018820 428120352 /nfs/dbraw/zinc/12/03/52/428120352.db2.gz QTWIWTFNKWXCNS-ZBFHGGJFSA-N 2 1 307.401 2.734 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341606205 428125945 /nfs/dbraw/zinc/12/59/45/428125945.db2.gz VEVSVCATPRYTKC-UKRRQHHQSA-N 2 1 317.433 2.543 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341606205 428125950 /nfs/dbraw/zinc/12/59/50/428125950.db2.gz VEVSVCATPRYTKC-UKRRQHHQSA-N 2 1 317.433 2.543 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000413498443 428062972 /nfs/dbraw/zinc/06/29/72/428062972.db2.gz MQSHEVLJXJAPET-ALYAQQCSSA-N 2 1 309.498 2.579 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000413498443 428062976 /nfs/dbraw/zinc/06/29/76/428062976.db2.gz MQSHEVLJXJAPET-ALYAQQCSSA-N 2 1 309.498 2.579 20 0 DFADMP CC[NH+]1CC[C@H](N(C)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C[C@H]1C ZINC000413498443 428062981 /nfs/dbraw/zinc/06/29/81/428062981.db2.gz MQSHEVLJXJAPET-ALYAQQCSSA-N 2 1 309.498 2.579 20 0 DFADMP C[N@H+]1CC[C@H](NCc2cc(COC(C)(C)C)on2)[C@@H]2CCC[C@@H]21 ZINC000377128795 428064679 /nfs/dbraw/zinc/06/46/79/428064679.db2.gz PHYHLWAHXSQVBL-ULQDDVLXSA-N 2 1 321.465 2.952 20 0 DFADMP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@@H](CN)C1CC1 ZINC000359896981 428066948 /nfs/dbraw/zinc/06/69/48/428066948.db2.gz KDNBDCLSGLNUMU-AWEZNQCLSA-N 2 1 302.340 2.797 20 0 DFADMP CCOc1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352544425 428145847 /nfs/dbraw/zinc/14/58/47/428145847.db2.gz ALRUDNZQVZBDEU-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)ccc1OC ZINC000352544425 428145852 /nfs/dbraw/zinc/14/58/52/428145852.db2.gz ALRUDNZQVZBDEU-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@@H]1C ZINC000346346626 428136363 /nfs/dbraw/zinc/13/63/63/428136363.db2.gz XHYPTOSUIVEJBK-ULQDDVLXSA-N 2 1 309.498 2.582 20 0 DFADMP FC(F)(F)Oc1ccccc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000377497894 428142599 /nfs/dbraw/zinc/14/25/99/428142599.db2.gz OTRBWESNXBHDQD-LBPRGKRZSA-N 2 1 311.307 2.886 20 0 DFADMP Cc1cccc2ncc(C[N@@H+](CCC[NH3+])CC3CCCC3)n21 ZINC000352546484 428145294 /nfs/dbraw/zinc/14/52/94/428145294.db2.gz VYFCSPXVIGRVLE-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])N2CCCCC2)[C@@H]1c1cccs1 ZINC000370160084 428145646 /nfs/dbraw/zinc/14/56/46/428145646.db2.gz FNLRGJMJXBCGQC-DZGCQCFKSA-N 2 1 306.479 2.751 20 0 DFADMP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000370160092 428147553 /nfs/dbraw/zinc/14/75/53/428147553.db2.gz FODIYWQVMLDTER-DZGCQCFKSA-N 2 1 308.495 2.901 20 0 DFADMP C[C@H](O)c1ncc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000377549235 428155104 /nfs/dbraw/zinc/15/51/04/428155104.db2.gz KHHJETZCLOSMHX-XEZPLFJOSA-N 2 1 321.490 2.645 20 0 DFADMP CC(C)C[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C)c2C1 ZINC000352647028 428183739 /nfs/dbraw/zinc/18/37/39/428183739.db2.gz QRLXPEQIPGUECO-KRWDZBQOSA-N 2 1 301.434 2.691 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH+]3C)c2C1 ZINC000352647028 428183740 /nfs/dbraw/zinc/18/37/40/428183740.db2.gz QRLXPEQIPGUECO-KRWDZBQOSA-N 2 1 301.434 2.691 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@@H+]3C)c2C1 ZINC000352647028 428183748 /nfs/dbraw/zinc/18/37/48/428183748.db2.gz QRLXPEQIPGUECO-KRWDZBQOSA-N 2 1 301.434 2.691 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CCC[N@H+]3C)c2C1 ZINC000352647028 428183753 /nfs/dbraw/zinc/18/37/53/428183753.db2.gz QRLXPEQIPGUECO-KRWDZBQOSA-N 2 1 301.434 2.691 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000356411530 428167286 /nfs/dbraw/zinc/16/72/86/428167286.db2.gz BTDFPEIRHQRINS-INIZCTEOSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000356411530 428167292 /nfs/dbraw/zinc/16/72/92/428167292.db2.gz BTDFPEIRHQRINS-INIZCTEOSA-N 2 1 318.465 2.620 20 0 DFADMP CC[N@H+]1C[C@H](C)N(CC[NH+](C)Cc2ccc(F)cc2)C[C@H]1C ZINC000360114626 428168632 /nfs/dbraw/zinc/16/86/32/428168632.db2.gz HZLXISVFZOWYGK-CVEARBPZSA-N 2 1 307.457 2.672 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCSC(C)(C)C)C2)CC1 ZINC000370284691 428174578 /nfs/dbraw/zinc/17/45/78/428174578.db2.gz FXFUURCPMQKOCP-MRXNPFEDSA-N 2 1 313.555 2.618 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377644377 428180822 /nfs/dbraw/zinc/18/08/22/428180822.db2.gz FGSZVWPSODMKPG-YOEHRIQHSA-N 2 1 317.408 2.558 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377644377 428180825 /nfs/dbraw/zinc/18/08/25/428180825.db2.gz FGSZVWPSODMKPG-YOEHRIQHSA-N 2 1 317.408 2.558 20 0 DFADMP Cc1oncc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377730933 428210864 /nfs/dbraw/zinc/21/08/64/428210864.db2.gz AOJGOBCTLJZUBT-MJGOQNOKSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377730933 428210870 /nfs/dbraw/zinc/21/08/70/428210870.db2.gz AOJGOBCTLJZUBT-MJGOQNOKSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377730933 428210876 /nfs/dbraw/zinc/21/08/76/428210876.db2.gz AOJGOBCTLJZUBT-MJGOQNOKSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377730933 428210879 /nfs/dbraw/zinc/21/08/79/428210879.db2.gz AOJGOBCTLJZUBT-MJGOQNOKSA-N 2 1 311.429 2.937 20 0 DFADMP COC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCC(C)CC1 ZINC000352702827 428211589 /nfs/dbraw/zinc/21/15/89/428211589.db2.gz BNKONEXIZAUZIL-UHFFFAOYSA-N 2 1 311.495 2.890 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740062 428213895 /nfs/dbraw/zinc/21/38/95/428213895.db2.gz BSRGTLIAPISRDO-JKSUJKDBSA-N 2 1 319.497 2.788 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C2CCCCCC2)C1)C(C)(C)n1cncn1 ZINC000377740062 428213900 /nfs/dbraw/zinc/21/39/00/428213900.db2.gz BSRGTLIAPISRDO-JKSUJKDBSA-N 2 1 319.497 2.788 20 0 DFADMP Cn1cnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000414131299 428214981 /nfs/dbraw/zinc/21/49/81/428214981.db2.gz YYHPHFFDQSSRGT-OWZKRDHZSA-N 2 1 324.472 2.748 20 0 DFADMP C[C@@H](O)C[N@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000414140129 428217886 /nfs/dbraw/zinc/21/78/86/428217886.db2.gz IUPLBFFCHPWLNZ-APWZRJJASA-N 2 1 316.489 2.990 20 0 DFADMP Cn1ccc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000356524851 428218215 /nfs/dbraw/zinc/21/82/15/428218215.db2.gz NDIZOHCABLFWDF-PMACEKPBSA-N 2 1 309.457 2.979 20 0 DFADMP Cn1ccc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)c1 ZINC000356524851 428218221 /nfs/dbraw/zinc/21/82/21/428218221.db2.gz NDIZOHCABLFWDF-PMACEKPBSA-N 2 1 309.457 2.979 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000356528277 428220000 /nfs/dbraw/zinc/22/00/00/428220000.db2.gz BIZQMTNAVUXEAX-JKSUJKDBSA-N 2 1 319.493 2.790 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)CC1 ZINC000377763272 428222683 /nfs/dbraw/zinc/22/26/83/428222683.db2.gz VMEPTZNSTAILQH-QZTJIDSGSA-N 2 1 323.525 2.591 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488016 428223569 /nfs/dbraw/zinc/22/35/69/428223569.db2.gz KFMAWNJSOSNOCN-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488016 428223574 /nfs/dbraw/zinc/22/35/74/428223574.db2.gz KFMAWNJSOSNOCN-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCCCC2)C1 ZINC000370488016 428223578 /nfs/dbraw/zinc/22/35/78/428223578.db2.gz KFMAWNJSOSNOCN-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000414180672 428227954 /nfs/dbraw/zinc/22/79/54/428227954.db2.gz LQSRKRPAJMBMNA-HZPDHXFCSA-N 2 1 317.477 2.771 20 0 DFADMP COc1cccc(C[C@@H](C)[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352756735 428234117 /nfs/dbraw/zinc/23/41/17/428234117.db2.gz CSTQTHNPTZZHFX-CYBMUJFWSA-N 2 1 319.474 2.934 20 0 DFADMP CCc1ccc(CCN2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000360284805 428235664 /nfs/dbraw/zinc/23/56/64/428235664.db2.gz HKLPBPWMCAZUJS-INIZCTEOSA-N 2 1 304.478 2.569 20 0 DFADMP CCc1ccc(CC[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000360284805 428235668 /nfs/dbraw/zinc/23/56/68/428235668.db2.gz HKLPBPWMCAZUJS-INIZCTEOSA-N 2 1 304.478 2.569 20 0 DFADMP CCc1ccc(CC[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000360284805 428235674 /nfs/dbraw/zinc/23/56/74/428235674.db2.gz HKLPBPWMCAZUJS-INIZCTEOSA-N 2 1 304.478 2.569 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1)[C@H]1CCCO1 ZINC000346475896 428186419 /nfs/dbraw/zinc/18/64/19/428186419.db2.gz CTSNFSPPKHFOJO-JTDSTZFVSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1)[C@H]1CCCO1 ZINC000346475896 428186424 /nfs/dbraw/zinc/18/64/24/428186424.db2.gz CTSNFSPPKHFOJO-JTDSTZFVSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCc1cnccn1 ZINC000370366166 428194209 /nfs/dbraw/zinc/19/42/09/428194209.db2.gz OJOGKOMTOLJHAU-LPHOPBHVSA-N 2 1 310.445 2.519 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)s1 ZINC000377698358 428198494 /nfs/dbraw/zinc/19/84/94/428198494.db2.gz MLHZRCKZAULVDX-MRXNPFEDSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)s1 ZINC000377698358 428198499 /nfs/dbraw/zinc/19/84/99/428198499.db2.gz MLHZRCKZAULVDX-MRXNPFEDSA-N 2 1 307.507 2.658 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000414072181 428199496 /nfs/dbraw/zinc/19/94/96/428199496.db2.gz USCXYUFYSYIETL-JYJNAYRXSA-N 2 1 305.466 2.874 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H](C)[N@H+]2CCCC[C@@H]2C)cn1 ZINC000414072181 428199500 /nfs/dbraw/zinc/19/95/00/428199500.db2.gz USCXYUFYSYIETL-JYJNAYRXSA-N 2 1 305.466 2.874 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000377694379 428200046 /nfs/dbraw/zinc/20/00/46/428200046.db2.gz ISCZQJOWSPJUDJ-OLZOCXBDSA-N 2 1 301.390 2.511 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370403578 428202180 /nfs/dbraw/zinc/20/21/80/428202180.db2.gz FSMVYNCNWQFJEV-RHSMWYFYSA-N 2 1 317.408 2.558 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000370403578 428202182 /nfs/dbraw/zinc/20/21/82/428202182.db2.gz FSMVYNCNWQFJEV-RHSMWYFYSA-N 2 1 317.408 2.558 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000352684551 428203653 /nfs/dbraw/zinc/20/36/53/428203653.db2.gz ORSDYPMQPBEESB-UXPWSPDFSA-N 2 1 313.489 2.896 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000352684551 428203658 /nfs/dbraw/zinc/20/36/58/428203658.db2.gz ORSDYPMQPBEESB-UXPWSPDFSA-N 2 1 313.489 2.896 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC[C@H]3CCCO3)C1)CCCC2 ZINC000346519445 428204085 /nfs/dbraw/zinc/20/40/85/428204085.db2.gz AQUOVBOQMYMSGM-JKSUJKDBSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC[C@H]3CCCO3)C1)CCCC2 ZINC000346519445 428204089 /nfs/dbraw/zinc/20/40/89/428204089.db2.gz AQUOVBOQMYMSGM-JKSUJKDBSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342100407 428298290 /nfs/dbraw/zinc/29/82/90/428298290.db2.gz KDTUTDQXKMSYKX-NXOAAHMSSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342100407 428298297 /nfs/dbraw/zinc/29/82/97/428298297.db2.gz KDTUTDQXKMSYKX-NXOAAHMSSA-N 2 1 315.461 2.690 20 0 DFADMP OC1(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCCC1 ZINC000352828715 428269480 /nfs/dbraw/zinc/26/94/80/428269480.db2.gz ZBFSOLOOPTWVQU-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP OC1(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000352828715 428269487 /nfs/dbraw/zinc/26/94/87/428269487.db2.gz ZBFSOLOOPTWVQU-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP OC1(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)CCCC1 ZINC000352828715 428269490 /nfs/dbraw/zinc/26/94/90/428269490.db2.gz ZBFSOLOOPTWVQU-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP COc1cc2c(c(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)c1)O[C@H](C)C2 ZINC000346679396 428270767 /nfs/dbraw/zinc/27/07/67/428270767.db2.gz MRDLGBBJTDXNOK-CXAGYDPISA-N 2 1 306.450 2.824 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)c1)O[C@H](C)C2 ZINC000346679396 428270773 /nfs/dbraw/zinc/27/07/73/428270773.db2.gz MRDLGBBJTDXNOK-CXAGYDPISA-N 2 1 306.450 2.824 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000346681141 428271177 /nfs/dbraw/zinc/27/11/77/428271177.db2.gz OLABXBZOBFZKDR-MNOVXSKESA-N 2 1 306.360 2.524 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000346681141 428271183 /nfs/dbraw/zinc/27/11/83/428271183.db2.gz OLABXBZOBFZKDR-MNOVXSKESA-N 2 1 306.360 2.524 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342100416 428298467 /nfs/dbraw/zinc/29/84/67/428298467.db2.gz KFOGBJZSVDAKON-KOZAUXTDSA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342100416 428298473 /nfs/dbraw/zinc/29/84/73/428298473.db2.gz KFOGBJZSVDAKON-KOZAUXTDSA-N 2 1 321.852 2.726 20 0 DFADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]Cc3ccccc3)CC2)CC1 ZINC000377979333 428275487 /nfs/dbraw/zinc/27/54/87/428275487.db2.gz SBRLDQCETVHQCJ-UHFFFAOYSA-N 3 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000346693396 428275773 /nfs/dbraw/zinc/27/57/73/428275773.db2.gz MVLHNWMAFYZWQQ-VXGBXAGGSA-N 2 1 302.340 2.797 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(SC)cc1OC ZINC000346693965 428277001 /nfs/dbraw/zinc/27/70/01/428277001.db2.gz QWDRLFJBMJOMDE-NEPJUHHUSA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]([C@@H](C)[NH3+])C2)c(SC)cc1OC ZINC000346693965 428277004 /nfs/dbraw/zinc/27/70/04/428277004.db2.gz QWDRLFJBMJOMDE-NEPJUHHUSA-N 2 1 310.463 2.595 20 0 DFADMP CCc1ncc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414389715 428282069 /nfs/dbraw/zinc/28/20/69/428282069.db2.gz SIGWXWFLGYNUMU-GOSISDBHSA-N 2 1 324.472 2.993 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000342028922 428282942 /nfs/dbraw/zinc/28/29/42/428282942.db2.gz SEMXUQLROPCQBS-LJQANCHMSA-N 2 1 320.477 2.671 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000342094027 428297282 /nfs/dbraw/zinc/29/72/82/428297282.db2.gz KDDZFGNKYYGQDW-UHFFFAOYSA-N 2 1 309.454 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCc1cccs1 ZINC000370577413 428244860 /nfs/dbraw/zinc/24/48/60/428244860.db2.gz GFJAXHQAUSWJJV-INMHGKMJSA-N 2 1 308.491 2.770 20 0 DFADMP C[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352781229 428245742 /nfs/dbraw/zinc/24/57/42/428245742.db2.gz SIXNMHNABINABP-CQSZACIVSA-N 2 1 324.538 2.805 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352781229 428245746 /nfs/dbraw/zinc/24/57/46/428245746.db2.gz SIXNMHNABINABP-CQSZACIVSA-N 2 1 324.538 2.805 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000356596780 428248659 /nfs/dbraw/zinc/24/86/59/428248659.db2.gz LFBWEUQHRUXRFB-SJORKVTESA-N 2 1 319.493 2.744 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000356596780 428248662 /nfs/dbraw/zinc/24/86/62/428248662.db2.gz LFBWEUQHRUXRFB-SJORKVTESA-N 2 1 319.493 2.744 20 0 DFADMP CCCC[NH+](C)C[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356596780 428248664 /nfs/dbraw/zinc/24/86/64/428248664.db2.gz LFBWEUQHRUXRFB-SJORKVTESA-N 2 1 319.493 2.744 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000370600080 428249549 /nfs/dbraw/zinc/24/95/49/428249549.db2.gz STQBUQCYSNWOSD-BHIYHBOVSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000370600080 428249553 /nfs/dbraw/zinc/24/95/53/428249553.db2.gz STQBUQCYSNWOSD-BHIYHBOVSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000370600080 428249556 /nfs/dbraw/zinc/24/95/56/428249556.db2.gz STQBUQCYSNWOSD-BHIYHBOVSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)cc1 ZINC000370600080 428249558 /nfs/dbraw/zinc/24/95/58/428249558.db2.gz STQBUQCYSNWOSD-BHIYHBOVSA-N 2 1 314.429 2.528 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cc(C)n(C)n1 ZINC000414279577 428250926 /nfs/dbraw/zinc/25/09/26/428250926.db2.gz JPVOVZUFGQLEAN-UHFFFAOYSA-N 2 1 300.450 2.860 20 0 DFADMP CC(C)Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000377883363 428254093 /nfs/dbraw/zinc/25/40/93/428254093.db2.gz JHPBNZPKUJDJIF-GOSISDBHSA-N 2 1 304.482 2.703 20 0 DFADMP CCOc1c(OC)cc(C[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000346648894 428256399 /nfs/dbraw/zinc/25/63/99/428256399.db2.gz BQSOJHBTCRNNLG-HNNXBMFYSA-N 2 1 324.465 2.908 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+](C)CC[C@H]([NH3+])C(C)C)cc1OC ZINC000346648894 428256402 /nfs/dbraw/zinc/25/64/02/428256402.db2.gz BQSOJHBTCRNNLG-HNNXBMFYSA-N 2 1 324.465 2.908 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CC1 ZINC000414324184 428260957 /nfs/dbraw/zinc/26/09/57/428260957.db2.gz BBEZYSNLBGOUKK-CVEARBPZSA-N 2 1 312.498 2.669 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000346659559 428261370 /nfs/dbraw/zinc/26/13/70/428261370.db2.gz USSNLCWLGUYCBG-INIZCTEOSA-N 2 1 303.454 2.817 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnc2c(cnn2C(C)C)c1 ZINC000346659559 428261372 /nfs/dbraw/zinc/26/13/72/428261372.db2.gz USSNLCWLGUYCBG-INIZCTEOSA-N 2 1 303.454 2.817 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3ncc(-c4cccs4)o3)C[C@@H]21 ZINC000342111883 428305540 /nfs/dbraw/zinc/30/55/40/428305540.db2.gz VAZJYJYUDYBRCN-RWMBFGLXSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ncc(-c4cccs4)o3)C[C@@H]21 ZINC000342111883 428305545 /nfs/dbraw/zinc/30/55/45/428305545.db2.gz VAZJYJYUDYBRCN-RWMBFGLXSA-N 2 1 303.431 2.962 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342116747 428309085 /nfs/dbraw/zinc/30/90/85/428309085.db2.gz YQGWKGQOOHVBEC-SLBVQIDZSA-N 2 1 312.417 2.857 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342116747 428309090 /nfs/dbraw/zinc/30/90/90/428309090.db2.gz YQGWKGQOOHVBEC-SLBVQIDZSA-N 2 1 312.417 2.857 20 0 DFADMP COC(=O)[C@@]12C[N@@H+](CC[C@H]3CCCC[NH+]3C)C[C@H]1CCCC2 ZINC000342135957 428316220 /nfs/dbraw/zinc/31/62/20/428316220.db2.gz UPPDMQTYMBXNQI-NUJGCVRESA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@@]12C[NH+](CC[C@H]3CCCC[N@@H+]3C)C[C@H]1CCCC2 ZINC000342135957 428316222 /nfs/dbraw/zinc/31/62/22/428316222.db2.gz UPPDMQTYMBXNQI-NUJGCVRESA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@@]12C[NH+](CC[C@H]3CCCC[N@H+]3C)C[C@H]1CCCC2 ZINC000342135957 428316227 /nfs/dbraw/zinc/31/62/27/428316227.db2.gz UPPDMQTYMBXNQI-NUJGCVRESA-N 2 1 308.466 2.526 20 0 DFADMP COc1cc2c(c(CN3CC[C@@H]4CC[N@@H+](C)C[C@@H]43)c1)O[C@@H](C)C2 ZINC000352930307 428316426 /nfs/dbraw/zinc/31/64/26/428316426.db2.gz KBRXJNCXOYXAOU-DEYYWGMASA-N 2 1 316.445 2.545 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000378168769 428325457 /nfs/dbraw/zinc/32/54/57/428325457.db2.gz MGUJWKYBKFBHJX-YJBOKZPZSA-N 2 1 316.493 2.679 20 0 DFADMP COc1ccc(OCCC[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1 ZINC000342152820 428326449 /nfs/dbraw/zinc/32/64/49/428326449.db2.gz YTBLABFXXBXGIE-WBAXXEDZSA-N 2 1 304.434 2.523 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)C[C@H]21 ZINC000346813296 428326819 /nfs/dbraw/zinc/32/68/19/428326819.db2.gz AMLNEUVMBZIWHW-MGPQQGTHSA-N 2 1 316.474 2.832 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000346816243 428328828 /nfs/dbraw/zinc/32/88/28/428328828.db2.gz CVZMMSDVJDMHNZ-IHPCNDPISA-N 2 1 324.472 2.717 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346816245 428329026 /nfs/dbraw/zinc/32/90/26/428329026.db2.gz CVZMMSDVJDMHNZ-SXLOBPIMSA-N 2 1 324.472 2.717 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)C[C@@H]21 ZINC000346824080 428331573 /nfs/dbraw/zinc/33/15/73/428331573.db2.gz KXGYJBHHAUJSPJ-RLFYNMQTSA-N 2 1 317.452 2.985 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000352971977 428331958 /nfs/dbraw/zinc/33/19/58/428331958.db2.gz MRMUTZXLNUHUBZ-QZTJIDSGSA-N 2 1 321.509 2.728 20 0 DFADMP COc1ccc(CN[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000342172698 428333489 /nfs/dbraw/zinc/33/34/89/428333489.db2.gz STUCMDVWDIHULE-SWLSCSKDSA-N 2 1 304.434 2.727 20 0 DFADMP COc1ccc(CN[C@@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000342172698 428333493 /nfs/dbraw/zinc/33/34/93/428333493.db2.gz STUCMDVWDIHULE-SWLSCSKDSA-N 2 1 304.434 2.727 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346829850 428334031 /nfs/dbraw/zinc/33/40/31/428334031.db2.gz ODLCFBXXDYCJLS-GUTXKFCHSA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346829850 428334039 /nfs/dbraw/zinc/33/40/39/428334039.db2.gz ODLCFBXXDYCJLS-GUTXKFCHSA-N 2 1 324.852 2.916 20 0 DFADMP FC(F)(F)CC[NH+]1CCC(N[C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000356844002 428333966 /nfs/dbraw/zinc/33/39/66/428333966.db2.gz LYIPOGOZOBEQEA-CABCVRRESA-N 2 1 319.415 2.620 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C[C@H]12 ZINC000346827289 428335591 /nfs/dbraw/zinc/33/55/91/428335591.db2.gz IAOQYWSZPPZKFL-IFUGULHKSA-N 2 1 318.371 2.524 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C[C@H]12 ZINC000346827289 428335598 /nfs/dbraw/zinc/33/55/98/428335598.db2.gz IAOQYWSZPPZKFL-IFUGULHKSA-N 2 1 318.371 2.524 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(Cl)cc4)c3)C[C@@H]12 ZINC000346832616 428336203 /nfs/dbraw/zinc/33/62/03/428336203.db2.gz LQBCJVSZERDMQT-IAOVAPTHSA-N 2 1 316.836 2.695 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(SC)cc1OC ZINC000346832575 428336840 /nfs/dbraw/zinc/33/68/40/428336840.db2.gz LMEBZHQPNRDEON-VXGBXAGGSA-N 2 1 310.463 2.595 20 0 DFADMP CC[NH+](CC)CCCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000356850284 428337782 /nfs/dbraw/zinc/33/77/82/428337782.db2.gz QCJKWXVNDJLINX-UHFFFAOYSA-N 3 1 309.420 2.725 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@@H]21 ZINC000346839708 428338598 /nfs/dbraw/zinc/33/85/98/428338598.db2.gz SKLPZTATQHDYBP-SGMGOOAPSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@H]21 ZINC000346839707 428340194 /nfs/dbraw/zinc/34/01/94/428340194.db2.gz SKLPZTATQHDYBP-OUCADQQQSA-N 2 1 314.351 2.986 20 0 DFADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1-c1ccccc1 ZINC000346844858 428342119 /nfs/dbraw/zinc/34/21/19/428342119.db2.gz LZZSBAOBNSTRBM-IPELMVKDSA-N 2 1 310.445 2.740 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3cccc(Cl)c3)C[C@H]12 ZINC000346843150 428342997 /nfs/dbraw/zinc/34/29/97/428342997.db2.gz XFQQMZIWVWNRDO-VBNZEHGJSA-N 2 1 316.836 2.899 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346852279 428343984 /nfs/dbraw/zinc/34/39/84/428343984.db2.gz KNARLSOVASGQML-KCQAQPDRSA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346852279 428343989 /nfs/dbraw/zinc/34/39/89/428343989.db2.gz KNARLSOVASGQML-KCQAQPDRSA-N 2 1 324.852 2.916 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346849933 428344295 /nfs/dbraw/zinc/34/42/95/428344295.db2.gz GPMDQYYQIWFIRA-SCRDCRAPSA-N 2 1 310.825 2.526 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346849933 428344301 /nfs/dbraw/zinc/34/43/01/428344301.db2.gz GPMDQYYQIWFIRA-SCRDCRAPSA-N 2 1 310.825 2.526 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)ccc1OC(C)C ZINC000346852306 428344863 /nfs/dbraw/zinc/34/48/63/428344863.db2.gz KOKDFMDYBRKKOB-JYJNAYRXSA-N 2 1 304.434 2.652 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2ccnn2)cc1 ZINC000342209392 428351723 /nfs/dbraw/zinc/35/17/23/428351723.db2.gz RYGGXTUEVQAWSO-RDJZCZTQSA-N 2 1 313.449 2.792 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342100414 428299812 /nfs/dbraw/zinc/29/98/12/428299812.db2.gz KFOGBJZSVDAKON-GUYJKWIASA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342100414 428299816 /nfs/dbraw/zinc/29/98/16/428299816.db2.gz KFOGBJZSVDAKON-GUYJKWIASA-N 2 1 321.852 2.726 20 0 DFADMP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414735021 428390876 /nfs/dbraw/zinc/39/08/76/428390876.db2.gz BVCZDKCXCJTDSF-DOTOQJQBSA-N 2 1 317.477 2.598 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000414750185 428393783 /nfs/dbraw/zinc/39/37/83/428393783.db2.gz LAAVIWOHNJVVBX-KRWDZBQOSA-N 2 1 316.424 2.894 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000414750185 428393785 /nfs/dbraw/zinc/39/37/85/428393785.db2.gz LAAVIWOHNJVVBX-KRWDZBQOSA-N 2 1 316.424 2.894 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000346981503 428394692 /nfs/dbraw/zinc/39/46/92/428394692.db2.gz OBIIVTNPIJYJOQ-GJZGRUSLSA-N 2 1 320.481 2.776 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378430042 428394793 /nfs/dbraw/zinc/39/47/93/428394793.db2.gz BMDGUKFQFKRVPR-DLBZAZTESA-N 2 1 319.468 2.846 20 0 DFADMP CC(C)C[C@H]([NH3+])C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000414755556 428395332 /nfs/dbraw/zinc/39/53/32/428395332.db2.gz ZRPYQIRSGVUEMI-INIZCTEOSA-N 2 1 309.498 2.521 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)cc1 ZINC000378435533 428395798 /nfs/dbraw/zinc/39/57/98/428395798.db2.gz NWKGHUGPVPPVCR-FQEVSTJZSA-N 2 1 315.505 2.708 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000346995620 428399861 /nfs/dbraw/zinc/39/98/61/428399861.db2.gz BOJXOBFIRPJSKT-OCCSQVGLSA-N 2 1 302.397 2.775 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1OC ZINC000414775103 428401355 /nfs/dbraw/zinc/40/13/55/428401355.db2.gz GEZSSASMTFKSMY-CABCVRRESA-N 2 1 304.434 2.525 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000414771998 428401379 /nfs/dbraw/zinc/40/13/79/428401379.db2.gz BBAPZCPETCCPNP-ZWKOTPCHSA-N 2 1 324.472 2.909 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1OC ZINC000414775114 428402306 /nfs/dbraw/zinc/40/23/06/428402306.db2.gz GEZSSASMTFKSMY-LSDHHAIUSA-N 2 1 304.434 2.525 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1Cl ZINC000414777812 428404481 /nfs/dbraw/zinc/40/44/81/428404481.db2.gz IKKQVKTYRKDCFW-HNNXBMFYSA-N 2 1 308.853 2.836 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000353151816 428405978 /nfs/dbraw/zinc/40/59/78/428405978.db2.gz LVZXIHVCMBDMRX-SFHVURJKSA-N 2 1 317.477 2.994 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000414782720 428406020 /nfs/dbraw/zinc/40/60/20/428406020.db2.gz ORYUXMYJLLUXJW-HUUCEWRRSA-N 2 1 304.482 2.539 20 0 DFADMP CCn1nc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c2ccccc21 ZINC000414788183 428408794 /nfs/dbraw/zinc/40/87/94/428408794.db2.gz WJODZWNKFQMYJY-HZPDHXFCSA-N 2 1 312.461 2.878 20 0 DFADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414787743 428410390 /nfs/dbraw/zinc/41/03/90/428410390.db2.gz VXWFQVAMNWDGGE-SJORKVTESA-N 2 1 310.445 2.694 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c2c(c1)OCCCO2 ZINC000414787197 428411161 /nfs/dbraw/zinc/41/11/61/428411161.db2.gz VIQBMQMDLXXSDA-JKSUJKDBSA-N 2 1 316.445 2.669 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(Cl)c(F)c2)CC12CCOCC2 ZINC000414785745 428411222 /nfs/dbraw/zinc/41/12/22/428411222.db2.gz TWBVNEYITKFOQK-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(Cl)c(F)c2)CC12CCOCC2 ZINC000414785745 428411227 /nfs/dbraw/zinc/41/12/27/428411227.db2.gz TWBVNEYITKFOQK-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP Cc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000414791780 428412244 /nfs/dbraw/zinc/41/22/44/428412244.db2.gz QXNHJUGAZQIKNW-KRWDZBQOSA-N 2 1 302.462 2.799 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000346885685 428358412 /nfs/dbraw/zinc/35/84/12/428358412.db2.gz RWNWRBIPJSNNJO-MRXNPFEDSA-N 2 1 319.493 2.791 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OCCC(C)C ZINC000414794581 428413249 /nfs/dbraw/zinc/41/32/49/428413249.db2.gz VMGSIRKJTBEMLF-UHFFFAOYSA-N 2 1 306.450 2.962 20 0 DFADMP [NH3+]CCOCC[N@@H+](Cc1ccccc1C(F)(F)F)C1CC1 ZINC000357036182 428372260 /nfs/dbraw/zinc/37/22/60/428372260.db2.gz WWNWFPVNVGYOPC-UHFFFAOYSA-N 2 1 302.340 2.645 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000414681374 428372332 /nfs/dbraw/zinc/37/23/32/428372332.db2.gz OXUTZSDTNSCNNR-VYDXJSESSA-N 2 1 316.445 2.983 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000342268637 428375467 /nfs/dbraw/zinc/37/54/67/428375467.db2.gz QHDLWTSDHMQNQR-RHSMWYFYSA-N 2 1 312.404 2.708 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NCc1nc2c(s1)C[NH+](C(C)C)CC2 ZINC000353071830 428375967 /nfs/dbraw/zinc/37/59/67/428375967.db2.gz LBEWXGQWOMRGOW-AWEZNQCLSA-N 2 1 324.538 2.728 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)NCc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000353071830 428375974 /nfs/dbraw/zinc/37/59/74/428375974.db2.gz LBEWXGQWOMRGOW-AWEZNQCLSA-N 2 1 324.538 2.728 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000353071830 428375976 /nfs/dbraw/zinc/37/59/76/428375976.db2.gz LBEWXGQWOMRGOW-AWEZNQCLSA-N 2 1 324.538 2.728 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H]1CCN(CCC[NH+]2CCCC2)C1 ZINC000371205087 428378094 /nfs/dbraw/zinc/37/80/94/428378094.db2.gz NSJBLIKBYATXMZ-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP CCCCC[N@@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](C)CCC ZINC000414700832 428378510 /nfs/dbraw/zinc/37/85/10/428378510.db2.gz ZVPXLEXMQLAASE-SJORKVTESA-N 2 1 311.514 2.865 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000414698362 428379268 /nfs/dbraw/zinc/37/92/68/428379268.db2.gz DCHUPUNHLANWJE-GDBMZVCRSA-N 2 1 310.869 2.913 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)[C@@H](COC)Cc1ccccc1 ZINC000414708753 428380275 /nfs/dbraw/zinc/38/02/75/428380275.db2.gz PHBHLDCRFNHCKB-QXAKKESOSA-N 2 1 304.478 2.954 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H](COC)Cc1ccccc1 ZINC000414708752 428380484 /nfs/dbraw/zinc/38/04/84/428380484.db2.gz PHBHLDCRFNHCKB-QRQLOZEOSA-N 2 1 304.478 2.954 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2[nH]ccc21 ZINC000378367797 428381083 /nfs/dbraw/zinc/38/10/83/428381083.db2.gz DYGBPWZUQLKWBT-AYOQOUSVSA-N 2 1 313.445 2.851 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccc(Br)cc1 ZINC000357083866 428381387 /nfs/dbraw/zinc/38/13/87/428381387.db2.gz QOFQTBJVUMRBOT-AWEZNQCLSA-N 2 1 313.239 2.561 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357091228 428381537 /nfs/dbraw/zinc/38/15/37/428381537.db2.gz WCTOQFUQNVYYHG-QGZVFWFLSA-N 2 1 315.461 2.563 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)C1)CC(F)(F)F ZINC000414711478 428382620 /nfs/dbraw/zinc/38/26/20/428382620.db2.gz SNFJZTPPOZBSAP-ILXRZTDVSA-N 2 1 321.431 2.581 20 0 DFADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357085128 428382833 /nfs/dbraw/zinc/38/28/33/428382833.db2.gz QKNOKUYLJHWVDO-UKRRQHHQSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1cc2cccnc2c(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357085128 428382838 /nfs/dbraw/zinc/38/28/38/428382838.db2.gz QKNOKUYLJHWVDO-UKRRQHHQSA-N 2 1 301.821 2.930 20 0 DFADMP CCS[C@H](C)c1noc(C[N@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414714904 428383719 /nfs/dbraw/zinc/38/37/19/428383719.db2.gz WCLCBDNBCAERLL-UPJWGTAASA-N 2 1 312.483 2.704 20 0 DFADMP CCS[C@H](C)c1noc(C[N@@H+](C)C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414714904 428383722 /nfs/dbraw/zinc/38/37/22/428383722.db2.gz WCLCBDNBCAERLL-UPJWGTAASA-N 2 1 312.483 2.704 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2)[C@@H](CO)C2CC2)CC[NH2+]1 ZINC000414715630 428386123 /nfs/dbraw/zinc/38/61/23/428386123.db2.gz RHXUOLRORDYXDO-SUMDDJOVSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)n1c2ccccc2nc1[C@@H]1CCC[N@H+]1CCOCC[NH3+] ZINC000357101244 428387100 /nfs/dbraw/zinc/38/71/00/428387100.db2.gz GZDNCHQPLVSVFN-KRWDZBQOSA-N 2 1 316.449 2.729 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347090427 428438775 /nfs/dbraw/zinc/43/87/75/428438775.db2.gz GBYXKNZDUXDOOP-QWHCGFSZSA-N 2 1 304.463 2.708 20 0 DFADMP c1cnn(-c2cccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)c2)c1 ZINC000347089878 428440258 /nfs/dbraw/zinc/44/02/58/428440258.db2.gz DREITZNMYCDCPR-UHFFFAOYSA-N 2 1 310.445 2.836 20 0 DFADMP CN(C(=[NH2+])NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000378643508 428447785 /nfs/dbraw/zinc/44/77/85/428447785.db2.gz UKEMBLZCRZBAJJ-MRXNPFEDSA-N 2 1 300.450 2.517 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCC[C@H]1CCC[NH2+]1 ZINC000414898528 428450195 /nfs/dbraw/zinc/45/01/95/428450195.db2.gz AQIWNLDUEFZFDT-GOSISDBHSA-N 2 1 303.494 2.876 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898528 428450199 /nfs/dbraw/zinc/45/01/99/428450199.db2.gz AQIWNLDUEFZFDT-GOSISDBHSA-N 3 1 303.494 2.876 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000414898528 428450203 /nfs/dbraw/zinc/45/02/03/428450203.db2.gz AQIWNLDUEFZFDT-GOSISDBHSA-N 3 1 303.494 2.876 20 0 DFADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)CCCCC1 ZINC000372486108 428453115 /nfs/dbraw/zinc/45/31/15/428453115.db2.gz HGDGWANMKOHOKH-OKZBNKHCSA-N 2 1 324.509 2.815 20 0 DFADMP CC1(C)CC[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000360834575 428456646 /nfs/dbraw/zinc/45/66/46/428456646.db2.gz JBCSYFRGSXSYCJ-YJBOKZPZSA-N 2 1 302.462 2.845 20 0 DFADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414923008 428459989 /nfs/dbraw/zinc/45/99/89/428459989.db2.gz DODOZGQHLNREAD-JKSUJKDBSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000414925371 428460916 /nfs/dbraw/zinc/46/09/16/428460916.db2.gz JMYCNDSUAAGHTJ-JFRXWTBNSA-N 2 1 301.478 2.627 20 0 DFADMP CC(C)(C)CC(=O)N1CCC([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000414925267 428461017 /nfs/dbraw/zinc/46/10/17/428461017.db2.gz IITISMCTAKYVIG-MRXNPFEDSA-N 2 1 323.525 2.781 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000387012489 428461441 /nfs/dbraw/zinc/46/14/41/428461441.db2.gz JKOSQPCWVYBMRB-HZPDHXFCSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1OC ZINC000387012489 428461447 /nfs/dbraw/zinc/46/14/47/428461447.db2.gz JKOSQPCWVYBMRB-HZPDHXFCSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(SC)cc1OC ZINC000414934113 428462044 /nfs/dbraw/zinc/46/20/44/428462044.db2.gz AFKZIROYGIGTHC-DGCLKSJQSA-N 2 1 310.463 2.513 20 0 DFADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000414942924 428464974 /nfs/dbraw/zinc/46/49/74/428464974.db2.gz DUCKBAVCGUYBNY-RNINOARNSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414946320 428465724 /nfs/dbraw/zinc/46/57/24/428465724.db2.gz SYKCFXYRCSJOFG-QAPCUYQASA-N 2 1 310.445 2.937 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccsc2C)CC1 ZINC000353285604 428467503 /nfs/dbraw/zinc/46/75/03/428467503.db2.gz ZQROCGKZYSWYKL-UHFFFAOYSA-N 2 1 303.431 2.782 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c1 ZINC000347036026 428418544 /nfs/dbraw/zinc/41/85/44/428418544.db2.gz DZHXDEULGUTGIH-RDJZCZTQSA-N 2 1 306.450 2.661 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414812019 428419692 /nfs/dbraw/zinc/41/96/92/428419692.db2.gz OYEPEBJHZVMIHE-IAQYHMDHSA-N 2 1 309.841 2.692 20 0 DFADMP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347044344 428422455 /nfs/dbraw/zinc/42/24/55/428422455.db2.gz MZJJOBWYHSHMBJ-NSHDSACASA-N 2 1 306.303 2.547 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347044344 428422463 /nfs/dbraw/zinc/42/24/63/428422463.db2.gz MZJJOBWYHSHMBJ-NSHDSACASA-N 2 1 306.303 2.547 20 0 DFADMP C[C@@H](c1nncn1C)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000347044445 428422531 /nfs/dbraw/zinc/42/25/31/428422531.db2.gz FJXZEWSJDVXDRZ-CVEARBPZSA-N 2 1 319.497 2.853 20 0 DFADMP C[C@@H](c1nncn1C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000347044445 428422537 /nfs/dbraw/zinc/42/25/37/428422537.db2.gz FJXZEWSJDVXDRZ-CVEARBPZSA-N 2 1 319.497 2.853 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414826473 428424667 /nfs/dbraw/zinc/42/46/67/428424667.db2.gz FOAHJJQCWLDWKN-ZHALLVOQSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414826473 428424674 /nfs/dbraw/zinc/42/46/74/428424674.db2.gz FOAHJJQCWLDWKN-ZHALLVOQSA-N 3 1 301.478 2.629 20 0 DFADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414835784 428427406 /nfs/dbraw/zinc/42/74/06/428427406.db2.gz HUQLEIGGZSDTSW-ZBFHGGJFSA-N 2 1 305.466 2.929 20 0 DFADMP COCCOc1cccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000414836677 428428991 /nfs/dbraw/zinc/42/89/91/428428991.db2.gz ITQVVLZVACPMSB-GOSISDBHSA-N 2 1 306.450 2.709 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414837247 428430926 /nfs/dbraw/zinc/43/09/26/428430926.db2.gz JGVYGQAHKMTOCM-OAHLLOKOSA-N 2 1 300.406 2.732 20 0 DFADMP C[NH2+]C[C@@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414847442 428432196 /nfs/dbraw/zinc/43/21/96/428432196.db2.gz VVUIAZLDVQOQFQ-BPIHKTFHSA-N 2 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414847442 428432198 /nfs/dbraw/zinc/43/21/98/428432198.db2.gz VVUIAZLDVQOQFQ-BPIHKTFHSA-N 3 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414847442 428432204 /nfs/dbraw/zinc/43/22/04/428432204.db2.gz VVUIAZLDVQOQFQ-BPIHKTFHSA-N 3 1 301.478 2.627 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000353309711 428480681 /nfs/dbraw/zinc/48/06/81/428480681.db2.gz DOGHFMQNEZDBNS-AZUAARDMSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000353309711 428480686 /nfs/dbraw/zinc/48/06/86/428480686.db2.gz DOGHFMQNEZDBNS-AZUAARDMSA-N 2 1 314.473 2.936 20 0 DFADMP C[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414986134 428481151 /nfs/dbraw/zinc/48/11/51/428481151.db2.gz NMIFCBSLBIUIJK-NXEZZACHSA-N 2 1 303.219 2.717 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196584 428481285 /nfs/dbraw/zinc/48/12/85/428481285.db2.gz DGQUMGAMOOATEW-HOTGVXAUSA-N 2 1 323.481 2.674 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1 ZINC000392214158 428481726 /nfs/dbraw/zinc/48/17/26/428481726.db2.gz UCCWBBWQGPCPIE-UHFFFAOYSA-N 2 1 323.481 2.674 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000414990570 428482640 /nfs/dbraw/zinc/48/26/40/428482640.db2.gz ABVYCUBPJYYFCU-IWKCEXAMSA-N 3 1 319.468 2.639 20 0 DFADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1 ZINC000372675457 428484313 /nfs/dbraw/zinc/48/43/13/428484313.db2.gz OHQGKCFZZRRXHN-COXVUDFISA-N 2 1 308.853 2.896 20 0 DFADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1 ZINC000372675457 428484315 /nfs/dbraw/zinc/48/43/15/428484315.db2.gz OHQGKCFZZRRXHN-COXVUDFISA-N 2 1 308.853 2.896 20 0 DFADMP FC(F)COc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414999589 428485840 /nfs/dbraw/zinc/48/58/40/428485840.db2.gz JJOYJMBTIRSCAW-GFCCVEGCSA-N 2 1 320.330 2.665 20 0 DFADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415011244 428488023 /nfs/dbraw/zinc/48/80/23/428488023.db2.gz ZSVCYFVHXOSLNX-JSGCOSHPSA-N 2 1 300.368 2.981 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1cnc(C2CCC2)s1 ZINC000415010508 428488105 /nfs/dbraw/zinc/48/81/05/428488105.db2.gz UZVNWCRYHBGSCF-NSHDSACASA-N 2 1 301.406 2.745 20 0 DFADMP COc1ccc([C@H](C)C[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000342919313 428488651 /nfs/dbraw/zinc/48/86/51/428488651.db2.gz UCDJGASLHKXKLE-HZPDHXFCSA-N 2 1 320.477 2.576 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000415006184 428489157 /nfs/dbraw/zinc/48/91/57/428489157.db2.gz SOKAIFCTGFABOD-CYBMUJFWSA-N 2 1 302.409 2.560 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc(OC)c1 ZINC000415039002 428495864 /nfs/dbraw/zinc/49/58/64/428495864.db2.gz IGGRIXSSSPJPLR-YJBOKZPZSA-N 2 1 304.434 2.668 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCO2)[C@H](C)C1 ZINC000360932124 428495924 /nfs/dbraw/zinc/49/59/24/428495924.db2.gz YOSUTUSVOIKUKG-TVFCKZIOSA-N 2 1 312.498 2.671 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC000395692612 428496633 /nfs/dbraw/zinc/49/66/33/428496633.db2.gz VLRQTPHEHIAFBG-KRWDZBQOSA-N 2 1 319.493 2.649 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C(C)C)[NH+]1CCCC1)C1(C(=O)OC)CCC1 ZINC000353355571 428498334 /nfs/dbraw/zinc/49/83/34/428498334.db2.gz RTFGMNZGEFIWEE-HOTGVXAUSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415044262 428498807 /nfs/dbraw/zinc/49/88/07/428498807.db2.gz BOHNAUSXCKSNHZ-WBMJQRKESA-N 2 1 307.413 2.650 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000415053083 428500348 /nfs/dbraw/zinc/50/03/48/428500348.db2.gz NYDMYWXUQDFODC-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1C ZINC000415059046 428503493 /nfs/dbraw/zinc/50/34/93/428503493.db2.gz WUFDVKRMWXLHKH-SPYBWZPUSA-N 2 1 317.477 2.937 20 0 DFADMP CC[NH+](CC)Cc1ccc(CN[C@H]2C[N@H+](CC)C[C@H]2C)cc1 ZINC000343034652 428505736 /nfs/dbraw/zinc/50/57/36/428505736.db2.gz OUTDXVXAGZKRDH-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccc(CN[C@H]2C[N@@H+](CC)C[C@H]2C)cc1 ZINC000343034652 428505743 /nfs/dbraw/zinc/50/57/43/428505743.db2.gz OUTDXVXAGZKRDH-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP COc1sc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000415068576 428509679 /nfs/dbraw/zinc/50/96/79/428509679.db2.gz NEHCCQFEQVGMRZ-UHFFFAOYSA-N 2 1 319.268 2.751 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415077375 428511807 /nfs/dbraw/zinc/51/18/07/428511807.db2.gz DWFVOAOSBDKPMC-LSDHHAIUSA-N 2 1 306.498 2.945 20 0 DFADMP C[C@]1(CN[C@H]2CCC[C@H]2C[NH3+])CCC[N@H+]1Cc1ccccc1 ZINC000397981231 428514185 /nfs/dbraw/zinc/51/41/85/428514185.db2.gz GYORKLLJHDOBDB-GBESFXJTSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@]1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CCCN1Cc1ccccc1 ZINC000397981231 428514189 /nfs/dbraw/zinc/51/41/89/428514189.db2.gz GYORKLLJHDOBDB-GBESFXJTSA-N 2 1 301.478 2.758 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398011192 428516104 /nfs/dbraw/zinc/51/61/04/428516104.db2.gz DBFLUAPPVXKBDN-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398011192 428516108 /nfs/dbraw/zinc/51/61/08/428516108.db2.gz DBFLUAPPVXKBDN-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398011192 428516112 /nfs/dbraw/zinc/51/61/12/428516112.db2.gz DBFLUAPPVXKBDN-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051040 428518060 /nfs/dbraw/zinc/51/80/60/428518060.db2.gz XTFAGKAYQHCSMZ-RXQRSOPUSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH3+])CC1 ZINC000398051040 428518066 /nfs/dbraw/zinc/51/80/66/428518066.db2.gz XTFAGKAYQHCSMZ-RXQRSOPUSA-N 3 1 301.478 2.757 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000415100794 428518300 /nfs/dbraw/zinc/51/83/00/428518300.db2.gz ALCJSAKGDVJFFN-YOEHRIQHSA-N 2 1 312.461 2.906 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC(=O)CCC(C)(C)[NH3+] ZINC000398084369 428518865 /nfs/dbraw/zinc/51/88/65/428518865.db2.gz SXNMURRJYRLERS-RDJZCZTQSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1CN(Cc2ncc(C[NH+](C)C)s2)c2ccccc2C[NH2+]1 ZINC000415104814 428520944 /nfs/dbraw/zinc/52/09/44/428520944.db2.gz RHLAYISYEIIYIK-CYBMUJFWSA-N 2 1 316.474 2.703 20 0 DFADMP C[C@@H](C[NH2+]Cc1cn(C)nc1C(F)F)C[NH+]1CCCCC1 ZINC000360975046 428521009 /nfs/dbraw/zinc/52/10/09/428521009.db2.gz MZQXWMAJEJGWFM-LBPRGKRZSA-N 2 1 300.397 2.569 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000353402439 428521593 /nfs/dbraw/zinc/52/15/93/428521593.db2.gz JACXNCVHVAXUKE-AABGKKOBSA-N 3 1 324.472 2.894 20 0 DFADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@@H]2CCC[NH2+]C2)CC12CCOCC2 ZINC000415103749 428522256 /nfs/dbraw/zinc/52/22/56/428522256.db2.gz DABIVFMCGKMCII-ZIAGYGMSSA-N 2 1 320.399 2.667 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415103266 428522694 /nfs/dbraw/zinc/52/26/94/428522694.db2.gz CZWYXWBZWXNTJC-RHSMWYFYSA-N 2 1 306.450 2.648 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415101855 428522792 /nfs/dbraw/zinc/52/27/92/428522792.db2.gz BSBNLGMVPDURCD-HIFRSBDPSA-N 2 1 316.424 2.737 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000415101855 428522795 /nfs/dbraw/zinc/52/27/95/428522795.db2.gz BSBNLGMVPDURCD-HIFRSBDPSA-N 2 1 316.424 2.737 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415113199 428524430 /nfs/dbraw/zinc/52/44/30/428524430.db2.gz WJPZEOZFAHYUEZ-RDJZCZTQSA-N 2 1 304.434 2.659 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1C[NH3+] ZINC000415133759 428531967 /nfs/dbraw/zinc/53/19/67/428531967.db2.gz VLUQPFAIIZWHPZ-QWHCGFSZSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1C[NH3+] ZINC000415133759 428531971 /nfs/dbraw/zinc/53/19/71/428531971.db2.gz VLUQPFAIIZWHPZ-QWHCGFSZSA-N 2 1 302.447 2.622 20 0 DFADMP CC(C)OC(=O)C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415116214 428527293 /nfs/dbraw/zinc/52/72/93/428527293.db2.gz ZILMFFBNLILLKD-IAGOWNOFSA-N 2 1 304.434 2.801 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390722036 428473833 /nfs/dbraw/zinc/47/38/33/428473833.db2.gz ZNCRZESJTLLCJC-FCFHUKJJSA-N 2 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390722036 428473837 /nfs/dbraw/zinc/47/38/37/428473837.db2.gz ZNCRZESJTLLCJC-FCFHUKJJSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390722036 428473842 /nfs/dbraw/zinc/47/38/42/428473842.db2.gz ZNCRZESJTLLCJC-FCFHUKJJSA-N 3 1 313.489 2.899 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390398802 428474579 /nfs/dbraw/zinc/47/45/79/428474579.db2.gz SMXRZFCFAUOUTQ-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390398802 428474584 /nfs/dbraw/zinc/47/45/84/428474584.db2.gz SMXRZFCFAUOUTQ-SJORKVTESA-N 2 1 318.461 2.928 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2)cn1 ZINC000391007030 428476957 /nfs/dbraw/zinc/47/69/57/428476957.db2.gz IJGIVKUIQSABGI-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCSC2)cc1F ZINC000414968804 428478088 /nfs/dbraw/zinc/47/80/88/428478088.db2.gz YLGIMYSDIDCECD-RBOXIYTFSA-N 2 1 312.429 2.753 20 0 DFADMP COC1(C[N@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)CCCC1 ZINC000361607272 428582078 /nfs/dbraw/zinc/58/20/78/428582078.db2.gz BXJTUMDHMMKXED-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCCC1 ZINC000361607272 428582084 /nfs/dbraw/zinc/58/20/84/428582084.db2.gz BXJTUMDHMMKXED-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCCC1 ZINC000361607272 428582088 /nfs/dbraw/zinc/58/20/88/428582088.db2.gz BXJTUMDHMMKXED-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCCC1 ZINC000361607272 428582095 /nfs/dbraw/zinc/58/20/95/428582095.db2.gz BXJTUMDHMMKXED-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP COC1(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCCC1 ZINC000361607272 428582100 /nfs/dbraw/zinc/58/21/00/428582100.db2.gz BXJTUMDHMMKXED-GOSISDBHSA-N 2 1 317.477 2.795 20 0 DFADMP CC[C@H](C)[C@H](C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197876 428587485 /nfs/dbraw/zinc/58/74/85/428587485.db2.gz ONAVALFEURKSSZ-HOTGVXAUSA-N 2 1 323.525 2.874 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000358227175 428588713 /nfs/dbraw/zinc/58/87/13/428588713.db2.gz AFCYMDIWMMKJDF-IRXDYDNUSA-N 2 1 308.853 2.764 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCCc3ccc(Cl)cc32)C1 ZINC000358227175 428588717 /nfs/dbraw/zinc/58/87/17/428588717.db2.gz AFCYMDIWMMKJDF-IRXDYDNUSA-N 2 1 308.853 2.764 20 0 DFADMP CO[C@@H]1C[C@@H](CN(C)c2cc[nH+]c3cc(F)ccc32)[N@H+](C)C1 ZINC000343881035 428589432 /nfs/dbraw/zinc/58/94/32/428589432.db2.gz SEPYBJSIRRBJHR-UONOGXRCSA-N 2 1 303.381 2.529 20 0 DFADMP CO[C@@H]1C[C@@H](CN(C)c2cc[nH+]c3cc(F)ccc32)[N@@H+](C)C1 ZINC000343881035 428589437 /nfs/dbraw/zinc/58/94/37/428589437.db2.gz SEPYBJSIRRBJHR-UONOGXRCSA-N 2 1 303.381 2.529 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1cc2ccccc2o1 ZINC000358264190 428591386 /nfs/dbraw/zinc/59/13/86/428591386.db2.gz YOTFXZQPJDTREC-QZTJIDSGSA-N 2 1 302.418 2.786 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1cc2ccccc2o1 ZINC000358264190 428591390 /nfs/dbraw/zinc/59/13/90/428591390.db2.gz YOTFXZQPJDTREC-QZTJIDSGSA-N 2 1 302.418 2.786 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050122 428532262 /nfs/dbraw/zinc/53/22/62/428532262.db2.gz UTIOBKHBNLDFEB-GDBMZVCRSA-N 2 1 323.481 2.626 20 0 DFADMP Fc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1Cl ZINC000415141159 428537137 /nfs/dbraw/zinc/53/71/37/428537137.db2.gz OQPANSZYSBGQEX-CJNGLKHVSA-N 2 1 324.827 2.680 20 0 DFADMP Fc1cc(Cl)cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415141735 428537838 /nfs/dbraw/zinc/53/78/38/428537838.db2.gz PWIBESSVBUWZRU-CVEARBPZSA-N 2 1 324.827 2.680 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399205624 428538509 /nfs/dbraw/zinc/53/85/09/428538509.db2.gz VOIZWGZTFXCJAJ-DZGCQCFKSA-N 2 1 322.453 2.569 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000353452030 428541389 /nfs/dbraw/zinc/54/13/89/428541389.db2.gz WAMAHOIKLOUCNR-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000353452030 428541393 /nfs/dbraw/zinc/54/13/93/428541393.db2.gz WAMAHOIKLOUCNR-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000353452030 428541399 /nfs/dbraw/zinc/54/13/99/428541399.db2.gz WAMAHOIKLOUCNR-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP c1cncc(C[N@H+]2CCC[C@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000373300321 428542256 /nfs/dbraw/zinc/54/22/56/428542256.db2.gz AVFUEQPAGGQQLV-IAGOWNOFSA-N 2 1 305.491 2.636 20 0 DFADMP c1cncc(C[N@@H+]2CCC[C@H](C[NH2+]C[C@H]3CCSC3)C2)c1 ZINC000373300321 428542259 /nfs/dbraw/zinc/54/22/59/428542259.db2.gz AVFUEQPAGGQQLV-IAGOWNOFSA-N 2 1 305.491 2.636 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353451523 428543441 /nfs/dbraw/zinc/54/34/41/428543441.db2.gz AEHZIOKUICFJSP-QRVBRYPASA-N 2 1 318.461 2.674 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@@H]2CCC[C@H]21 ZINC000353451487 428543825 /nfs/dbraw/zinc/54/38/25/428543825.db2.gz ABCJDMAOUYANOF-SLFFLAALSA-N 2 1 324.472 2.877 20 0 DFADMP CO[C@@H](C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000400169989 428544211 /nfs/dbraw/zinc/54/42/11/428544211.db2.gz KDHZROAOKIKLHH-MJGOQNOKSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353462310 428548428 /nfs/dbraw/zinc/54/84/28/428548428.db2.gz IOHVOMNCUNASCQ-FCGDIQPGSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353462310 428548432 /nfs/dbraw/zinc/54/84/32/428548432.db2.gz IOHVOMNCUNASCQ-FCGDIQPGSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353462310 428548437 /nfs/dbraw/zinc/54/84/37/428548437.db2.gz IOHVOMNCUNASCQ-FCGDIQPGSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C1 ZINC000353462310 428548442 /nfs/dbraw/zinc/54/84/42/428548442.db2.gz IOHVOMNCUNASCQ-FCGDIQPGSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)C1 ZINC000353462310 428548447 /nfs/dbraw/zinc/54/84/47/428548447.db2.gz IOHVOMNCUNASCQ-FCGDIQPGSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400811611 428548993 /nfs/dbraw/zinc/54/89/93/428548993.db2.gz YNKPJQDKDIJFAV-QXAKKESOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757515 428549356 /nfs/dbraw/zinc/54/93/56/428549356.db2.gz XKNSUWLPXPQQIJ-UKBAYJJMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757515 428549363 /nfs/dbraw/zinc/54/93/63/428549363.db2.gz XKNSUWLPXPQQIJ-UKBAYJJMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757515 428549367 /nfs/dbraw/zinc/54/93/67/428549367.db2.gz XKNSUWLPXPQQIJ-UKBAYJJMSA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@@H]1CC[NH2+]C1 ZINC000400757515 428549386 /nfs/dbraw/zinc/54/93/86/428549386.db2.gz XKNSUWLPXPQQIJ-UKBAYJJMSA-N 3 1 301.478 2.627 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000361310528 428555224 /nfs/dbraw/zinc/55/52/24/428555224.db2.gz TUZLURCSAPJHPC-GUDVDZBRSA-N 2 1 302.462 2.975 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@@H]1CC[NH3+] ZINC000404287495 428564793 /nfs/dbraw/zinc/56/47/93/428564793.db2.gz ITFIGQWOZKVERA-CZUORRHYSA-N 2 1 307.413 2.604 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@H]1CC[NH3+] ZINC000404287492 428564818 /nfs/dbraw/zinc/56/48/18/428564818.db2.gz ITFIGQWOZKVERA-CJNGLKHVSA-N 2 1 307.413 2.604 20 0 DFADMP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404262217 428566889 /nfs/dbraw/zinc/56/68/89/428566889.db2.gz DWURSHHAHWKBBP-YOEHRIQHSA-N 2 1 303.450 2.637 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc1 ZINC000404262217 428566896 /nfs/dbraw/zinc/56/68/96/428566896.db2.gz DWURSHHAHWKBBP-YOEHRIQHSA-N 2 1 303.450 2.637 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)[C@H]1CC[NH3+] ZINC000404379151 428569944 /nfs/dbraw/zinc/56/99/44/428569944.db2.gz TUYKCSHOIWKUQH-WFASDCNBSA-N 2 1 306.841 2.937 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)[C@H]1CC[NH3+] ZINC000404379151 428569948 /nfs/dbraw/zinc/56/99/48/428569948.db2.gz TUYKCSHOIWKUQH-WFASDCNBSA-N 2 1 306.841 2.937 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc(OC)c1OC ZINC000404453835 428572134 /nfs/dbraw/zinc/57/21/34/428572134.db2.gz ZZHFAHSFIPWKDR-HIFRSBDPSA-N 2 1 322.449 2.662 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000358018498 428577011 /nfs/dbraw/zinc/57/70/11/428577011.db2.gz AWJMHFUEKGCHGY-ZACQAIPSSA-N 2 1 302.466 2.538 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C[NH3+] ZINC000405564938 428578146 /nfs/dbraw/zinc/57/81/46/428578146.db2.gz FXVOMSGPCAEUAG-CZUORRHYSA-N 2 1 319.836 2.684 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(Cl)c3cccnc23)C[C@H]1C[NH3+] ZINC000405564938 428578151 /nfs/dbraw/zinc/57/81/51/428578151.db2.gz FXVOMSGPCAEUAG-CZUORRHYSA-N 2 1 319.836 2.684 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358705420 428634099 /nfs/dbraw/zinc/63/40/99/428634099.db2.gz MFZJSFBRVPMQGE-IRXDYDNUSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000347530020 428598745 /nfs/dbraw/zinc/59/87/45/428598745.db2.gz NRTXLJAXHPPGGJ-HNNXBMFYSA-N 2 1 323.440 2.540 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cc2ccccc2o1)CC[NH+](C)C ZINC000344013907 428607736 /nfs/dbraw/zinc/60/77/36/428607736.db2.gz CYPDIMJGTMTOQJ-UHFFFAOYSA-N 2 1 303.450 2.748 20 0 DFADMP CN(CCC[N@H+](C)Cc1ccc(F)cc1Cl)CC[NH+](C)C ZINC000344032203 428613008 /nfs/dbraw/zinc/61/30/08/428613008.db2.gz PRYHYBZOZJZHSU-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc(F)cc1Cl)CC[NH+](C)C ZINC000344032203 428613012 /nfs/dbraw/zinc/61/30/12/428613012.db2.gz PRYHYBZOZJZHSU-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP Cn1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c(C(C)(C)C)n1 ZINC000362040023 428613307 /nfs/dbraw/zinc/61/33/07/428613307.db2.gz ORMROITWWWZYME-PVAVHDDUSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c(C(C)(C)C)n1 ZINC000362040023 428613312 /nfs/dbraw/zinc/61/33/12/428613312.db2.gz ORMROITWWWZYME-PVAVHDDUSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c(C(C)(C)C)n1 ZINC000362040023 428613315 /nfs/dbraw/zinc/61/33/15/428613315.db2.gz ORMROITWWWZYME-PVAVHDDUSA-N 2 1 316.493 2.634 20 0 DFADMP Cn1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c(C(C)(C)C)n1 ZINC000362040023 428613319 /nfs/dbraw/zinc/61/33/19/428613319.db2.gz ORMROITWWWZYME-PVAVHDDUSA-N 2 1 316.493 2.634 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000344038032 428613947 /nfs/dbraw/zinc/61/39/47/428613947.db2.gz YYIFGDNIOGNVIE-HNNXBMFYSA-N 2 1 323.481 2.727 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415901848 428621911 /nfs/dbraw/zinc/62/19/11/428621911.db2.gz NNXSACHIBLOVRQ-CQSZACIVSA-N 2 1 306.454 2.648 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NCCCCn1cc[nH+]c1C ZINC000415907941 428622185 /nfs/dbraw/zinc/62/21/85/428622185.db2.gz CBRGUDOXGLOKPR-UHFFFAOYSA-N 2 1 315.421 2.513 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000415910057 428623823 /nfs/dbraw/zinc/62/38/23/428623823.db2.gz HAZNWKLNJNGGMA-INIZCTEOSA-N 2 1 318.465 2.744 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccccc2C[NH2+]C)[C@@H](C)C1 ZINC000415912464 428625541 /nfs/dbraw/zinc/62/55/41/428625541.db2.gz LITAQHJJXJLUJN-YOEHRIQHSA-N 2 1 318.465 2.600 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000353621318 428626570 /nfs/dbraw/zinc/62/65/70/428626570.db2.gz LYAFNIUDJHIGRB-LTIDMASMSA-N 2 1 316.445 2.679 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415924924 428627800 /nfs/dbraw/zinc/62/78/00/428627800.db2.gz ZFWFKYWZYANODR-HUUCEWRRSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)c1 ZINC000415934602 428630072 /nfs/dbraw/zinc/63/00/72/428630072.db2.gz RPBBBKFKZPMEAZ-CABCVRRESA-N 2 1 318.465 2.790 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCCCC[N@@H+](C)C2CC2)c1 ZINC000415934389 428631166 /nfs/dbraw/zinc/63/11/66/428631166.db2.gz PWIMDDRFFOFNDM-UHFFFAOYSA-N 2 1 318.465 2.792 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000415936909 428631237 /nfs/dbraw/zinc/63/12/37/428631237.db2.gz XKPWORMDTOBNMW-HNNXBMFYSA-N 2 1 318.465 2.650 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353629468 428631224 /nfs/dbraw/zinc/63/12/24/428631224.db2.gz FZDCIJNGKKMXPV-QRVBRYPASA-N 2 1 318.461 2.674 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415947645 428632682 /nfs/dbraw/zinc/63/26/82/428632682.db2.gz WYSLSAKGQOGNDB-PBHICJAKSA-N 2 1 318.465 2.600 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415970494 428637042 /nfs/dbraw/zinc/63/70/42/428637042.db2.gz IFZQVWFABIARGG-GJZGRUSLSA-N 2 1 318.465 2.648 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)cc1O ZINC000353651677 428637439 /nfs/dbraw/zinc/63/74/39/428637439.db2.gz DEBNZVNZDJDAFC-GJZGRUSLSA-N 2 1 322.449 2.552 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1O ZINC000353651677 428637445 /nfs/dbraw/zinc/63/74/45/428637445.db2.gz DEBNZVNZDJDAFC-GJZGRUSLSA-N 2 1 322.449 2.552 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1ccc(C[NH2+]C)cc1 ZINC000415987032 428641096 /nfs/dbraw/zinc/64/10/96/428641096.db2.gz WDCIKDQWDFXRBJ-CQSZACIVSA-N 2 1 306.454 2.648 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358720767 428642170 /nfs/dbraw/zinc/64/21/70/428642170.db2.gz VTWXNJGTWDIMMT-ATZDWAIDSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000358720767 428642177 /nfs/dbraw/zinc/64/21/77/428642177.db2.gz VTWXNJGTWDIMMT-ATZDWAIDSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358718227 428642600 /nfs/dbraw/zinc/64/26/00/428642600.db2.gz DEEUKTGFKFVETN-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C)cc1)C(C)C ZINC000344403711 428636201 /nfs/dbraw/zinc/63/62/01/428636201.db2.gz AOXKGDCEEPVPRG-INIZCTEOSA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000344403711 428636208 /nfs/dbraw/zinc/63/62/08/428636208.db2.gz AOXKGDCEEPVPRG-INIZCTEOSA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000344403711 428636215 /nfs/dbraw/zinc/63/62/15/428636215.db2.gz AOXKGDCEEPVPRG-INIZCTEOSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1)C(C)C ZINC000344403711 428636224 /nfs/dbraw/zinc/63/62/24/428636224.db2.gz AOXKGDCEEPVPRG-INIZCTEOSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1)C(C)C ZINC000344403711 428636228 /nfs/dbraw/zinc/63/62/28/428636228.db2.gz AOXKGDCEEPVPRG-INIZCTEOSA-N 2 1 317.477 2.693 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000359579367 274101914 /nfs/dbraw/zinc/10/19/14/274101914.db2.gz QKOHJDMFOBIALB-RYUDHWBXSA-N 2 1 303.381 2.911 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000359579367 274101920 /nfs/dbraw/zinc/10/19/20/274101920.db2.gz QKOHJDMFOBIALB-RYUDHWBXSA-N 2 1 303.381 2.911 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCN2CCCC2=O)CC1)CC(C)C ZINC000358738076 428650649 /nfs/dbraw/zinc/65/06/49/428650649.db2.gz RNEHNJWNMXGVPQ-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP Cc1cc(N(C)C[C@H]2CCC[N@@H+](C)[C@H]2c2ccnn2C)cc[nH+]1 ZINC000344444251 428644296 /nfs/dbraw/zinc/64/42/96/428644296.db2.gz FGXJOCHMRGUDJO-CRAIPNDOSA-N 2 1 313.449 2.643 20 0 DFADMP CCc1cccc(F)c1C[N@@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000353664504 428645941 /nfs/dbraw/zinc/64/59/41/428645941.db2.gz XFHQSORHDSJEKJ-KRWDZBQOSA-N 2 1 319.468 2.600 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000268807778 274135767 /nfs/dbraw/zinc/13/57/67/274135767.db2.gz DADFCPWVHZXXKC-LJQANCHMSA-N 2 1 318.461 2.509 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090060613 274148356 /nfs/dbraw/zinc/14/83/56/274148356.db2.gz APLAOMZAHAFQLF-IIDMSEBBSA-N 2 1 306.450 2.782 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000362194715 428658082 /nfs/dbraw/zinc/65/80/82/428658082.db2.gz KBAJWKWKMDVAOD-SJORKVTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000362194715 428658087 /nfs/dbraw/zinc/65/80/87/428658087.db2.gz KBAJWKWKMDVAOD-SJORKVTESA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000362194715 428658091 /nfs/dbraw/zinc/65/80/91/428658091.db2.gz KBAJWKWKMDVAOD-SJORKVTESA-N 2 1 310.482 2.915 20 0 DFADMP C[C@@H](CC[NH+](C)C)[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000049553788 274208705 /nfs/dbraw/zinc/20/87/05/274208705.db2.gz JKOKDCXOWQWMSO-LBPRGKRZSA-N 2 1 312.841 2.931 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353678483 428655504 /nfs/dbraw/zinc/65/55/04/428655504.db2.gz MWVAKVRTPAJJPL-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H](O)CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000309698857 274265333 /nfs/dbraw/zinc/26/53/33/274265333.db2.gz FJZGFZFDTXLLHL-QGZVFWFLSA-N 2 1 302.462 2.745 20 0 DFADMP C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155070 428666152 /nfs/dbraw/zinc/66/61/52/428666152.db2.gz AASQGWCNUYWOPP-QYZOEREBSA-N 2 1 306.494 2.999 20 0 DFADMP C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155070 428666161 /nfs/dbraw/zinc/66/61/61/428666161.db2.gz AASQGWCNUYWOPP-QYZOEREBSA-N 2 1 306.494 2.999 20 0 DFADMP C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155070 428666166 /nfs/dbraw/zinc/66/61/66/428666166.db2.gz AASQGWCNUYWOPP-QYZOEREBSA-N 2 1 306.494 2.999 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000358304107 274340559 /nfs/dbraw/zinc/34/05/59/274340559.db2.gz SERJPHQNIHGPEH-KLHDSHLOSA-N 2 1 304.434 2.535 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCOCC(F)(F)F)CC2)C1CC1 ZINC000374298139 428672567 /nfs/dbraw/zinc/67/25/67/428672567.db2.gz UARKGAPNRLNHIK-ZDUSSCGKSA-N 2 1 320.399 2.762 20 0 DFADMP O[C@]1(C[NH2+]CC2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344522697 428672830 /nfs/dbraw/zinc/67/28/30/428672830.db2.gz HWJGSTJNZLROTL-IBGZPJMESA-N 2 1 302.462 2.793 20 0 DFADMP O[C@]1(C[NH2+]CC2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344522697 428672834 /nfs/dbraw/zinc/67/28/34/428672834.db2.gz HWJGSTJNZLROTL-IBGZPJMESA-N 2 1 302.462 2.793 20 0 DFADMP CC(C)[N@@H+](C)CCCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416130397 428673037 /nfs/dbraw/zinc/67/30/37/428673037.db2.gz IRBYRBXABULZQG-QGZVFWFLSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@@H]1C[C@@H](c2nc(-c3ccc(C[NH+](C)C)cc3)no2)CC[N@H+]1C ZINC000362310423 428698233 /nfs/dbraw/zinc/69/82/33/428698233.db2.gz YTSLBONEVKZABJ-CJNGLKHVSA-N 2 1 314.433 2.996 20 0 DFADMP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000362310686 428698328 /nfs/dbraw/zinc/69/83/28/428698328.db2.gz UZYVQXQOFKXYFN-GVDBMIGSSA-N 2 1 314.539 2.855 20 0 DFADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416242215 428698648 /nfs/dbraw/zinc/69/86/48/428698648.db2.gz FHXIWBNUZWEZKP-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348306000 428699389 /nfs/dbraw/zinc/69/93/89/428699389.db2.gz LLCFWVXAOKAFPH-ZCNNSNEGSA-N 3 1 313.489 2.535 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348306000 428699396 /nfs/dbraw/zinc/69/93/96/428699396.db2.gz LLCFWVXAOKAFPH-ZCNNSNEGSA-N 2 1 313.489 2.535 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000348306000 428699400 /nfs/dbraw/zinc/69/94/00/428699400.db2.gz LLCFWVXAOKAFPH-ZCNNSNEGSA-N 2 1 313.489 2.535 20 0 DFADMP CC(C)=CC[NH+]1CCC(OCC[NH+]2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000358852774 428706478 /nfs/dbraw/zinc/70/64/78/428706478.db2.gz LSKWGTVYOSBEJJ-IRXDYDNUSA-N 2 1 310.482 2.543 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000348328457 428710091 /nfs/dbraw/zinc/71/00/91/428710091.db2.gz KKKGHMINFLFANY-OALUTQOASA-N 2 1 324.472 2.601 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1F ZINC000348355951 428717821 /nfs/dbraw/zinc/71/78/21/428717821.db2.gz NDDBVBQKZCSLHP-AWEZNQCLSA-N 2 1 323.456 2.511 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC1CCC1)[C@@H](C)CO ZINC000348356045 428718747 /nfs/dbraw/zinc/71/87/47/428718747.db2.gz NPJLIHHSWFDRGO-AWEZNQCLSA-N 2 1 314.433 2.559 20 0 DFADMP CCn1cc(CC[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000348376062 428726514 /nfs/dbraw/zinc/72/65/14/428726514.db2.gz IYCRZYZPQBZYMN-NVXWUHKLSA-N 2 1 304.482 2.688 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1C ZINC000362386166 428726766 /nfs/dbraw/zinc/72/67/66/428726766.db2.gz ODZKFLRCWIBTSQ-QRQLOZEOSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@@H]3C2)c1C ZINC000362386166 428726771 /nfs/dbraw/zinc/72/67/71/428726771.db2.gz ODZKFLRCWIBTSQ-QRQLOZEOSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)c1C ZINC000362386166 428726776 /nfs/dbraw/zinc/72/67/76/428726776.db2.gz ODZKFLRCWIBTSQ-QRQLOZEOSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1C ZINC000362386166 428726782 /nfs/dbraw/zinc/72/67/82/428726782.db2.gz ODZKFLRCWIBTSQ-QRQLOZEOSA-N 2 1 316.493 2.826 20 0 DFADMP Cc1cccc(OC2CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000374679325 428729178 /nfs/dbraw/zinc/72/91/78/428729178.db2.gz NEKFVILBLZMQOA-UHFFFAOYSA-N 2 1 303.450 2.719 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358913646 428729248 /nfs/dbraw/zinc/72/92/48/428729248.db2.gz ITHXXKCDUWAVNH-DOTOQJQBSA-N 2 1 304.482 2.899 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000358913781 428729703 /nfs/dbraw/zinc/72/97/03/428729703.db2.gz IZVQIMDRMCOLOY-LJQANCHMSA-N 2 1 324.472 2.836 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000358913781 428729708 /nfs/dbraw/zinc/72/97/08/428729708.db2.gz IZVQIMDRMCOLOY-LJQANCHMSA-N 2 1 324.472 2.836 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416159129 428678642 /nfs/dbraw/zinc/67/86/42/428678642.db2.gz MHURHIDSLWGOTD-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000374445017 428680617 /nfs/dbraw/zinc/68/06/17/428680617.db2.gz XGYYKEZTZJBEKD-XKQJLSEDSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000374445017 428680622 /nfs/dbraw/zinc/68/06/22/428680622.db2.gz XGYYKEZTZJBEKD-XKQJLSEDSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000374445017 428680637 /nfs/dbraw/zinc/68/06/37/428680637.db2.gz XGYYKEZTZJBEKD-XKQJLSEDSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3ccccc3Cl)CC[C@H]21 ZINC000374445017 428680639 /nfs/dbraw/zinc/68/06/39/428680639.db2.gz XGYYKEZTZJBEKD-XKQJLSEDSA-N 2 1 308.853 2.790 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(C)[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348258320 428681394 /nfs/dbraw/zinc/68/13/94/428681394.db2.gz AARYFQJTLCBBMX-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@H+](C)[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348258320 428681398 /nfs/dbraw/zinc/68/13/98/428681398.db2.gz AARYFQJTLCBBMX-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[N@@H+](C)[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000348258320 428681403 /nfs/dbraw/zinc/68/14/03/428681403.db2.gz AARYFQJTLCBBMX-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)[C@H]1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348258320 428681408 /nfs/dbraw/zinc/68/14/08/428681408.db2.gz AARYFQJTLCBBMX-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH+](C)[C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348258320 428681411 /nfs/dbraw/zinc/68/14/11/428681411.db2.gz AARYFQJTLCBBMX-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H](CO)CC(F)F)cc1 ZINC000348404041 428733105 /nfs/dbraw/zinc/73/31/05/428733105.db2.gz IWLNSWSVKYOMSE-BXUZGUMPSA-N 2 1 309.360 2.847 20 0 DFADMP C[NH+](C)Cc1cnc(CN(CCC[NH3+])c2cccc(F)c2)s1 ZINC000348256617 428683144 /nfs/dbraw/zinc/68/31/44/428683144.db2.gz WKBDLCPJEXSUOU-UHFFFAOYSA-N 2 1 322.453 2.699 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416188342 428684733 /nfs/dbraw/zinc/68/47/33/428684733.db2.gz GYKWCVAPISKYBN-NXHRZFHOSA-N 2 1 317.477 2.524 20 0 DFADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000358819912 428689584 /nfs/dbraw/zinc/68/95/84/428689584.db2.gz RYKVUMAVYVNTIY-MSOLQXFVSA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+](Cc1nccs1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374837086 428760523 /nfs/dbraw/zinc/76/05/23/428760523.db2.gz IEVBZZKDAJLANQ-UHFFFAOYSA-N 2 1 302.447 2.887 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000345137307 428767251 /nfs/dbraw/zinc/76/72/51/428767251.db2.gz GJORVEXEUBFJSX-UHFFFAOYSA-N 2 1 324.472 2.900 20 0 DFADMP CCCNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000411286891 428771844 /nfs/dbraw/zinc/77/18/44/428771844.db2.gz YGRKLJARFDILJZ-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000411286891 428771849 /nfs/dbraw/zinc/77/18/49/428771849.db2.gz YGRKLJARFDILJZ-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000411286891 428771852 /nfs/dbraw/zinc/77/18/52/428771852.db2.gz YGRKLJARFDILJZ-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H](C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374878160 428774110 /nfs/dbraw/zinc/77/41/10/428774110.db2.gz QNFZGUHIKIBWQW-ICSRJNTNSA-N 2 1 315.505 2.892 20 0 DFADMP C[C@@H](C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374878160 428774113 /nfs/dbraw/zinc/77/41/13/428774113.db2.gz QNFZGUHIKIBWQW-ICSRJNTNSA-N 2 1 315.505 2.892 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCC3(O)CCC3)CC2)C[C@H](C)O1 ZINC000411313158 428775161 /nfs/dbraw/zinc/77/51/61/428775161.db2.gz XCJBUFZWZQFAMN-CALCHBBNSA-N 2 1 324.509 2.503 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnc(-c3ccccn3)s2)CC1 ZINC000345172681 428783593 /nfs/dbraw/zinc/78/35/93/428783593.db2.gz LGJNNCHPTWEHDH-UHFFFAOYSA-N 2 1 300.431 2.557 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000353934842 428784264 /nfs/dbraw/zinc/78/42/64/428784264.db2.gz YOZOQGHNYIHICC-ADHGMGHFSA-N 2 1 324.509 2.922 20 0 DFADMP CC[N@H+](CC(=O)NCCCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000345187906 428790140 /nfs/dbraw/zinc/79/01/40/428790140.db2.gz IYQOYTCHHSCWAF-SFHVURJKSA-N 2 1 323.525 2.927 20 0 DFADMP CC[N@@H+](CC(=O)NCCCC1CCCCC1)[C@H]1CCC[NH2+]CC1 ZINC000345187906 428790145 /nfs/dbraw/zinc/79/01/45/428790145.db2.gz IYQOYTCHHSCWAF-SFHVURJKSA-N 2 1 323.525 2.927 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)C1(C(=O)OC)CCC1 ZINC000353837684 428742307 /nfs/dbraw/zinc/74/23/07/428742307.db2.gz CUOJEDLXDITLDU-DZGCQCFKSA-N 2 1 307.438 2.539 20 0 DFADMP C[C@@H]1CN(CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000411118080 428743001 /nfs/dbraw/zinc/74/30/01/428743001.db2.gz NBTDVJFAAVFIPJ-GOSISDBHSA-N 2 1 301.478 2.679 20 0 DFADMP CC(CC[NH+]1C[C@@H](C)O[C@@H](C)C1)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000411127035 428743755 /nfs/dbraw/zinc/74/37/55/428743755.db2.gz PGQHSZITKJQJJM-USTZCAOPSA-N 2 1 312.498 2.621 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411169965 428752283 /nfs/dbraw/zinc/75/22/83/428752283.db2.gz FZLDIQMHVTWYTN-MRXNPFEDSA-N 2 1 318.461 2.913 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000374969940 428795316 /nfs/dbraw/zinc/79/53/16/428795316.db2.gz GFAQOANFRLFBQD-XLIONFOSSA-N 2 1 316.489 2.929 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000374969940 428795322 /nfs/dbraw/zinc/79/53/22/428795322.db2.gz GFAQOANFRLFBQD-XLIONFOSSA-N 2 1 316.489 2.929 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411427075 428796308 /nfs/dbraw/zinc/79/63/08/428796308.db2.gz QDDSUACYWZKIRE-RTBURBONSA-N 2 1 302.462 2.875 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411424752 428796779 /nfs/dbraw/zinc/79/67/79/428796779.db2.gz NQEVYSYXPWYKJI-RBUKOAKNSA-N 2 1 302.462 2.875 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362646446 428797352 /nfs/dbraw/zinc/79/73/52/428797352.db2.gz KPBHFNOFZDZPFP-ROUUACIJSA-N 2 1 323.525 2.591 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000345198835 428797248 /nfs/dbraw/zinc/79/72/48/428797248.db2.gz BGEHPKYAUZARKO-IRXDYDNUSA-N 2 1 311.514 2.878 20 0 DFADMP OC[C@@H]1CSCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411425458 428797980 /nfs/dbraw/zinc/79/79/80/428797980.db2.gz MLMKUQLRNUQMDE-GOSISDBHSA-N 2 1 320.502 2.582 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632261 428800282 /nfs/dbraw/zinc/80/02/82/428800282.db2.gz DFJGFABXWKSDRY-HKUYNNGSSA-N 2 1 320.477 2.744 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632261 428800288 /nfs/dbraw/zinc/80/02/88/428800288.db2.gz DFJGFABXWKSDRY-HKUYNNGSSA-N 2 1 320.477 2.744 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632261 428800291 /nfs/dbraw/zinc/80/02/91/428800291.db2.gz DFJGFABXWKSDRY-HKUYNNGSSA-N 2 1 320.477 2.744 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411456174 428800806 /nfs/dbraw/zinc/80/08/06/428800806.db2.gz YWZMTACGGRYDPS-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000353987539 428805853 /nfs/dbraw/zinc/80/58/53/428805853.db2.gz PLIHUDYGGWSUES-IBGZPJMESA-N 2 1 316.493 2.510 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccncc2)CC1 ZINC000353987539 428805859 /nfs/dbraw/zinc/80/58/59/428805859.db2.gz PLIHUDYGGWSUES-IBGZPJMESA-N 2 1 316.493 2.510 20 0 DFADMP C[C@@H](O)[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411500029 428806216 /nfs/dbraw/zinc/80/62/16/428806216.db2.gz SAWHBKUKCGMVGV-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411513602 428807613 /nfs/dbraw/zinc/80/76/13/428807613.db2.gz DUDZSJKDCBUMEC-IKGGRYGDSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C(=O)N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411513602 428807617 /nfs/dbraw/zinc/80/76/17/428807617.db2.gz DUDZSJKDCBUMEC-IKGGRYGDSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](O)[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411500034 428808783 /nfs/dbraw/zinc/80/87/83/428808783.db2.gz SAWHBKUKCGMVGV-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccccc2C[NH+](C)C)C1 ZINC000362894790 428811217 /nfs/dbraw/zinc/81/12/17/428811217.db2.gz RBFFZPXRRIRXBG-INIZCTEOSA-N 2 1 317.477 2.552 20 0 DFADMP C[C@@H]([NH2+]CCC(=O)OC(C)(C)C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515679 428811219 /nfs/dbraw/zinc/81/12/19/428811219.db2.gz IGFCAYXGLBPHAQ-HUUCEWRRSA-N 2 1 310.482 2.961 20 0 DFADMP CC[C@@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+]1CCCC1 ZINC000359100970 428816198 /nfs/dbraw/zinc/81/61/98/428816198.db2.gz BURUONQUVIUHRM-HNNXBMFYSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@H]1O ZINC000411568507 428819702 /nfs/dbraw/zinc/81/97/02/428819702.db2.gz LBKIJANSAYASSG-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP Cc1[nH+]ccn1CCCN1CC[NH2+]C[C@H]1c1cccc(Cl)c1 ZINC000348756969 428826813 /nfs/dbraw/zinc/82/68/13/428826813.db2.gz RPAZCEWCPOBKCU-KRWDZBQOSA-N 2 1 318.852 2.882 20 0 DFADMP CO[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1OC ZINC000411628516 428828414 /nfs/dbraw/zinc/82/84/14/428828414.db2.gz VKAFJGFNOLYLSQ-KDURUIRLSA-N 2 1 318.461 2.518 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000345283330 428828826 /nfs/dbraw/zinc/82/88/26/428828826.db2.gz OWHKTZLAGRSACO-IAGOWNOFSA-N 2 1 308.853 2.837 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](CC2CC2)c2ccc(Cl)cc2)C1 ZINC000345283330 428828830 /nfs/dbraw/zinc/82/88/30/428828830.db2.gz OWHKTZLAGRSACO-IAGOWNOFSA-N 2 1 308.853 2.837 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000362979498 428831867 /nfs/dbraw/zinc/83/18/67/428831867.db2.gz HBCKYGQFTBAFOF-LBPRGKRZSA-N 2 1 323.343 2.598 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411675632 428839942 /nfs/dbraw/zinc/83/99/42/428839942.db2.gz PELYZNJWPVKORP-GOSISDBHSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000417035484 428842044 /nfs/dbraw/zinc/84/20/44/428842044.db2.gz GUUNNNIUSZPPDZ-INIZCTEOSA-N 2 1 324.513 2.602 20 0 DFADMP CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](c1cccc(Cl)c1)N(C)C ZINC000348799415 428842928 /nfs/dbraw/zinc/84/29/28/428842928.db2.gz JZGZHXIONJFISW-HOTGVXAUSA-N 2 1 323.868 2.543 20 0 DFADMP OC[C@]1(F)CC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411706554 428844035 /nfs/dbraw/zinc/84/40/35/428844035.db2.gz XOPSUQJFXIJSNZ-SFHVURJKSA-N 2 1 306.425 2.579 20 0 DFADMP OC[C@]1(F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411706554 428844039 /nfs/dbraw/zinc/84/40/39/428844039.db2.gz XOPSUQJFXIJSNZ-SFHVURJKSA-N 2 1 306.425 2.579 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[N@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059422 428909711 /nfs/dbraw/zinc/90/97/11/428909711.db2.gz BMDHZSGKWGWSHM-YJBOKZPZSA-N 2 1 319.493 2.861 20 0 DFADMP C[C@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)o1 ZINC000349059422 428909719 /nfs/dbraw/zinc/90/97/19/428909719.db2.gz BMDHZSGKWGWSHM-YJBOKZPZSA-N 2 1 319.493 2.861 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@@H](C)OC)CC1 ZINC000348833959 428855472 /nfs/dbraw/zinc/85/54/72/428855472.db2.gz ONNJZOXESXBIOA-QGZVFWFLSA-N 2 1 319.493 2.685 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354107739 428864731 /nfs/dbraw/zinc/86/47/31/428864731.db2.gz SDPKFWUZPHIBHX-MRXNPFEDSA-N 2 1 318.509 2.709 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000354107739 428864736 /nfs/dbraw/zinc/86/47/36/428864736.db2.gz SDPKFWUZPHIBHX-MRXNPFEDSA-N 2 1 318.509 2.709 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000354107739 428864743 /nfs/dbraw/zinc/86/47/43/428864743.db2.gz SDPKFWUZPHIBHX-MRXNPFEDSA-N 2 1 318.509 2.709 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354107739 428864746 /nfs/dbraw/zinc/86/47/46/428864746.db2.gz SDPKFWUZPHIBHX-MRXNPFEDSA-N 2 1 318.509 2.709 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(OC)nc2C)C1 ZINC000359229677 428878856 /nfs/dbraw/zinc/87/88/56/428878856.db2.gz RCUNJBFQBMPFSM-INIZCTEOSA-N 2 1 305.466 2.871 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2c(C)cc(OC)nc2C)C1 ZINC000359229677 428878859 /nfs/dbraw/zinc/87/88/59/428878859.db2.gz RCUNJBFQBMPFSM-INIZCTEOSA-N 2 1 305.466 2.871 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000359229677 428878865 /nfs/dbraw/zinc/87/88/65/428878865.db2.gz RCUNJBFQBMPFSM-INIZCTEOSA-N 2 1 305.466 2.871 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2c(C)cc(OC)nc2C)C1 ZINC000359229677 428878868 /nfs/dbraw/zinc/87/88/68/428878868.db2.gz RCUNJBFQBMPFSM-INIZCTEOSA-N 2 1 305.466 2.871 20 0 DFADMP C[NH+](C)[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000348965244 428888160 /nfs/dbraw/zinc/88/81/60/428888160.db2.gz LSFBHKIBONYQTB-SFHVURJKSA-N 2 1 303.494 2.781 20 0 DFADMP CC[C@@H](C)NC(=O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375476351 428895932 /nfs/dbraw/zinc/89/59/32/428895932.db2.gz PEGDFFIWXHEYSX-SZVBFZGTSA-N 2 1 317.477 2.574 20 0 DFADMP CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375476351 428895935 /nfs/dbraw/zinc/89/59/35/428895935.db2.gz PEGDFFIWXHEYSX-SZVBFZGTSA-N 2 1 317.477 2.574 20 0 DFADMP CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375476351 428895940 /nfs/dbraw/zinc/89/59/40/428895940.db2.gz PEGDFFIWXHEYSX-SZVBFZGTSA-N 2 1 317.477 2.574 20 0 DFADMP CN(CC[N@@H+](C)C[C@@H]1C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000349034677 428904138 /nfs/dbraw/zinc/90/41/38/428904138.db2.gz FCOHKGKIJWVMFQ-ICSRJNTNSA-N 2 1 315.505 2.748 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2C(=O)OC)C[C@H]1C ZINC000354226239 428926984 /nfs/dbraw/zinc/92/69/84/428926984.db2.gz VTNFGSCTEOHVGC-CZUORRHYSA-N 2 1 322.424 2.917 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccco1)[NH+](CC)CC ZINC000349142044 428930225 /nfs/dbraw/zinc/93/02/25/428930225.db2.gz HBOJKJYFAWNAJN-HZPDHXFCSA-N 2 1 321.465 2.653 20 0 DFADMP C[C@@H]1C[NH+](CCOC2CC[NH+](CC3(C)CCC3)CC2)C[C@@H](C)O1 ZINC000349364410 428971693 /nfs/dbraw/zinc/97/16/93/428971693.db2.gz GKUBBFPLVWXYOX-IAGOWNOFSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]([NH3+])c1ccc(CNc2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC000420198516 428947592 /nfs/dbraw/zinc/94/75/92/428947592.db2.gz COSLWNGNPZKTEC-CQSZACIVSA-N 2 1 311.433 3.099 20 0 DFADMP C[C@H]([NH3+])c1ccc(CNc2cc[nH+]c(N3CCCCC3)n2)cc1 ZINC000420198515 428949001 /nfs/dbraw/zinc/94/90/01/428949001.db2.gz COSLWNGNPZKTEC-AWEZNQCLSA-N 2 1 311.433 3.099 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000354273161 428949261 /nfs/dbraw/zinc/94/92/61/428949261.db2.gz RVHJHDJMVSYPGY-MSOLQXFVSA-N 2 1 323.525 2.734 20 0 DFADMP COCC1(CNc2cc(C)c3ccc(C)cc3[nH+]2)CC[NH2+]CC1 ZINC000420249083 428952045 /nfs/dbraw/zinc/95/20/45/428952045.db2.gz XJKGMPMNVQKIDV-UHFFFAOYSA-N 2 1 313.445 3.280 20 0 DFADMP CCc1ccccc1CC[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000375724719 428953725 /nfs/dbraw/zinc/95/37/25/428953725.db2.gz MSIXTJBEYGJKID-HXUWFJFHSA-N 2 1 315.505 2.503 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000363616735 428955726 /nfs/dbraw/zinc/95/57/26/428955726.db2.gz OAMOASINSUXJAZ-DLBZAZTESA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363616735 428955729 /nfs/dbraw/zinc/95/57/29/428955729.db2.gz OAMOASINSUXJAZ-DLBZAZTESA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000363616738 428956058 /nfs/dbraw/zinc/95/60/58/428956058.db2.gz OAMOASINSUXJAZ-SJORKVTESA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000363616738 428956061 /nfs/dbraw/zinc/95/60/61/428956061.db2.gz OAMOASINSUXJAZ-SJORKVTESA-N 2 1 314.408 2.932 20 0 DFADMP Cc1cnn(CC[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000375748403 428960818 /nfs/dbraw/zinc/96/08/18/428960818.db2.gz YRRWMRBLDZDOBE-FQEVSTJZSA-N 2 1 324.472 2.790 20 0 DFADMP Cc1cnn(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000375748403 428960821 /nfs/dbraw/zinc/96/08/21/428960821.db2.gz YRRWMRBLDZDOBE-FQEVSTJZSA-N 2 1 324.472 2.790 20 0 DFADMP Cc1cnn(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000375748403 428960823 /nfs/dbraw/zinc/96/08/23/428960823.db2.gz YRRWMRBLDZDOBE-FQEVSTJZSA-N 2 1 324.472 2.790 20 0 DFADMP Cc1cnn(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000375748403 428960827 /nfs/dbraw/zinc/96/08/27/428960827.db2.gz YRRWMRBLDZDOBE-FQEVSTJZSA-N 2 1 324.472 2.790 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc2cc(F)ccc2o1 ZINC000349315126 428961254 /nfs/dbraw/zinc/96/12/54/428961254.db2.gz KFJRBDVQSYOQCS-UHFFFAOYSA-N 2 1 319.424 2.641 20 0 DFADMP C[C@H](N[C@H]1CCCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423549625 428970529 /nfs/dbraw/zinc/97/05/29/428970529.db2.gz HXFDMMSVDPBEDK-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP CCN(CCC[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C)CC(F)(F)F ZINC000355096498 429027646 /nfs/dbraw/zinc/02/76/46/429027646.db2.gz LDBUIGQXFIGCSV-HUUCEWRRSA-N 2 1 323.447 2.923 20 0 DFADMP CCN(CCC[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C)CC(F)(F)F ZINC000355096498 429027651 /nfs/dbraw/zinc/02/76/51/429027651.db2.gz LDBUIGQXFIGCSV-HUUCEWRRSA-N 2 1 323.447 2.923 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)C1CCSCC1 ZINC000355131540 429030036 /nfs/dbraw/zinc/03/00/36/429030036.db2.gz ZINZTMGUSYJFKN-LSDHHAIUSA-N 2 1 300.512 2.609 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCSCC1 ZINC000355131540 429030040 /nfs/dbraw/zinc/03/00/40/429030040.db2.gz ZINZTMGUSYJFKN-LSDHHAIUSA-N 2 1 300.512 2.609 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000375792249 428974628 /nfs/dbraw/zinc/97/46/28/428974628.db2.gz PZQIHUYEQRZUKE-AABGKKOBSA-N 2 1 324.472 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)[C@H]2CCC[C@@H]21 ZINC000375792249 428974638 /nfs/dbraw/zinc/97/46/38/428974638.db2.gz PZQIHUYEQRZUKE-AABGKKOBSA-N 2 1 324.472 2.894 20 0 DFADMP C[C@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1cccnc1 ZINC000423579893 428976002 /nfs/dbraw/zinc/97/60/02/428976002.db2.gz WVFURDQEOJAFDM-KRWDZBQOSA-N 2 1 324.472 2.726 20 0 DFADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000349384729 428978962 /nfs/dbraw/zinc/97/89/62/428978962.db2.gz XCWKDQJWVOKFLY-CFVMTHIKSA-N 2 1 324.490 2.785 20 0 DFADMP COc1ccsc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000349384728 428979644 /nfs/dbraw/zinc/97/96/44/428979644.db2.gz XCWKDQJWVOKFLY-AEGPPILISA-N 2 1 324.490 2.785 20 0 DFADMP C[C@@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412198405 428980348 /nfs/dbraw/zinc/98/03/48/428980348.db2.gz WRWVOMBUJYKTKI-XHSDSOJGSA-N 2 1 309.498 2.581 20 0 DFADMP CC(C)c1nccn1[C@H]1CCC[N@H+](Cc2cn3cccnc3n2)C1 ZINC000375811704 428982661 /nfs/dbraw/zinc/98/26/61/428982661.db2.gz INOGYRCDCQHVPO-INIZCTEOSA-N 2 1 324.432 2.886 20 0 DFADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375807446 428982791 /nfs/dbraw/zinc/98/27/91/428982791.db2.gz BPRRKQRSKLHUME-CVEARBPZSA-N 2 1 320.481 2.948 20 0 DFADMP CCCCNC(=O)[C@@H](C)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375807446 428982798 /nfs/dbraw/zinc/98/27/98/428982798.db2.gz BPRRKQRSKLHUME-CVEARBPZSA-N 2 1 320.481 2.948 20 0 DFADMP C[C@H](C(=O)N[C@H]1CCCC[C@H]1C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000375816063 428985094 /nfs/dbraw/zinc/98/50/94/428985094.db2.gz QMBWIHJCKXZRRU-ZACQAIPSSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433085243 428991885 /nfs/dbraw/zinc/99/18/85/428991885.db2.gz UDMCLXLHUQFCRH-LUMCNRMDSA-N 2 1 316.489 2.861 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)CC[N@H+]1C ZINC000433086005 428994309 /nfs/dbraw/zinc/99/43/09/428994309.db2.gz YGLACKUWKDMPPC-WEOZKBJRSA-N 2 1 302.462 2.615 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000375845507 428994318 /nfs/dbraw/zinc/99/43/18/428994318.db2.gz YLPZWOCORPHCBO-OLZOCXBDSA-N 2 1 301.390 2.566 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H]2CCC[C@H]21 ZINC000375850738 428995073 /nfs/dbraw/zinc/99/50/73/428995073.db2.gz JZKOYTKTUVTRGH-SLFFLAALSA-N 2 1 324.472 2.894 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C)CCCC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423695040 428998009 /nfs/dbraw/zinc/99/80/09/428998009.db2.gz LBTSAWLCWOMHGN-WBVHZDCISA-N 2 1 305.466 2.531 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000375855042 428998751 /nfs/dbraw/zinc/99/87/51/428998751.db2.gz YAWSAGKSSUVGMN-QRVBRYPASA-N 2 1 318.461 2.927 20 0 DFADMP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354736549 429007167 /nfs/dbraw/zinc/00/71/67/429007167.db2.gz SOHVPCPWOQZONQ-SQNIBIBYSA-N 2 1 323.525 2.734 20 0 DFADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000375892128 429007626 /nfs/dbraw/zinc/00/76/26/429007626.db2.gz XVIGEDBYFQCOAD-IPMKNSEASA-N 3 1 307.526 2.961 20 0 DFADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@H]32)CC1 ZINC000375892128 429007628 /nfs/dbraw/zinc/00/76/28/429007628.db2.gz XVIGEDBYFQCOAD-IPMKNSEASA-N 2 1 307.526 2.961 20 0 DFADMP OC1(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CCC1 ZINC000433180964 429008116 /nfs/dbraw/zinc/00/81/16/429008116.db2.gz WVQNBWKJFHDDHH-UHFFFAOYSA-N 2 1 314.473 2.890 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1 ZINC000375907090 429014242 /nfs/dbraw/zinc/01/42/42/429014242.db2.gz REAGBGBEUBGUCS-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000423462771 429091103 /nfs/dbraw/zinc/09/11/03/429091103.db2.gz FDBKBWZNNJKHNE-FZMZJTMJSA-N 2 1 311.376 2.540 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000423462769 429091149 /nfs/dbraw/zinc/09/11/49/429091149.db2.gz FDBKBWZNNJKHNE-BXUZGUMPSA-N 2 1 311.376 2.540 20 0 DFADMP Cc1ccnc(C2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)n1 ZINC000376295850 429091138 /nfs/dbraw/zinc/09/11/38/429091138.db2.gz JJVMSBFHVGWJOB-KRWDZBQOSA-N 2 1 302.466 2.839 20 0 DFADMP Cc1ccnc(C2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000376295850 429091140 /nfs/dbraw/zinc/09/11/40/429091140.db2.gz JJVMSBFHVGWJOB-KRWDZBQOSA-N 2 1 302.466 2.839 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000423465302 429091998 /nfs/dbraw/zinc/09/19/98/429091998.db2.gz HPJNPIXTFIQRDO-BVBHFADKSA-N 3 1 301.478 2.929 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H]([NH3+])C2)C[C@H]1c1ccccc1 ZINC000423465302 429092002 /nfs/dbraw/zinc/09/20/02/429092002.db2.gz HPJNPIXTFIQRDO-BVBHFADKSA-N 3 1 301.478 2.929 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423469290 429092321 /nfs/dbraw/zinc/09/23/21/429092321.db2.gz OTVDVGBLEYJNJB-SKDRFNHKSA-N 2 1 318.202 2.679 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000423470623 429092493 /nfs/dbraw/zinc/09/24/93/429092493.db2.gz LNGPUGDFEOTHCG-IWKCEXAMSA-N 2 1 319.468 2.591 20 0 DFADMP CC[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423471678 429093299 /nfs/dbraw/zinc/09/32/99/429093299.db2.gz PVDULXPOVAPDHH-INDMIFKZSA-N 2 1 301.478 2.614 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C12CCCCC2 ZINC000423478650 429094132 /nfs/dbraw/zinc/09/41/32/429094132.db2.gz NMDAGAHGBNWSQJ-RBSFLKMASA-N 2 1 316.436 2.949 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)ccc1F ZINC000423475353 429095111 /nfs/dbraw/zinc/09/51/11/429095111.db2.gz KETUSAZEFJIZMG-JQWIXIFHSA-N 2 1 302.340 2.730 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C12CCCCC2 ZINC000423478652 429095309 /nfs/dbraw/zinc/09/53/09/429095309.db2.gz NMDAGAHGBNWSQJ-SOUVJXGZSA-N 2 1 316.436 2.949 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423477361 429095379 /nfs/dbraw/zinc/09/53/79/429095379.db2.gz TVDCUVVKGLKICV-ZANVPECISA-N 2 1 301.203 2.902 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@H]12)CC1CCCCC1 ZINC000424138163 429096102 /nfs/dbraw/zinc/09/61/02/429096102.db2.gz TXNONZIEKUGGIH-FGTMMUONSA-N 2 1 321.509 2.807 20 0 DFADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CCCCC1 ZINC000421859321 429040044 /nfs/dbraw/zinc/04/00/44/429040044.db2.gz SKAXTVVTWXWYEK-SJORKVTESA-N 2 1 312.498 2.815 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(OC)c(Br)c1 ZINC000423482212 429096492 /nfs/dbraw/zinc/09/64/92/429096492.db2.gz XHVACXGLADYJKB-MWLCHTKSSA-N 2 1 301.228 2.846 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1c2ccccc2CC[C@@H]1CO ZINC000377010485 274860827 /nfs/dbraw/zinc/86/08/27/274860827.db2.gz AQHJHRQMFBNJDB-MJGOQNOKSA-N 2 1 313.445 2.857 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCCC1 ZINC000424131286 429096642 /nfs/dbraw/zinc/09/66/42/429096642.db2.gz JBSGORHNLDKCCU-FGTMMUONSA-N 2 1 321.509 2.807 20 0 DFADMP CC[N@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424132928 429096788 /nfs/dbraw/zinc/09/67/88/429096788.db2.gz LHOSIQXGDQRPEM-IRXDYDNUSA-N 2 1 309.498 2.522 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC([NH3+])(CC)CC)[C@H]1Oc1ccccc1 ZINC000423281836 429055449 /nfs/dbraw/zinc/05/54/49/429055449.db2.gz BZQRTTMGUOWWRV-BRWVUGGUSA-N 2 1 306.450 2.719 20 0 DFADMP CC(C)[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278040 429055974 /nfs/dbraw/zinc/05/59/74/429055974.db2.gz QKAYFJYRXGVGST-WBMJQRKESA-N 2 1 304.438 2.604 20 0 DFADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000423280542 429056037 /nfs/dbraw/zinc/05/60/37/429056037.db2.gz SWGLMQOIYDDSPC-KBPBESRZSA-N 2 1 308.388 2.998 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423283853 429056198 /nfs/dbraw/zinc/05/61/98/429056198.db2.gz WKULAAWWMJPOCX-DYVFJYSZSA-N 2 1 318.465 2.948 20 0 DFADMP CC(C)([NH3+])C[NH2+][C@@H]1CCCOc2cc(Br)ccc21 ZINC000423286878 429057394 /nfs/dbraw/zinc/05/73/94/429057394.db2.gz JFDFCNQSQHDJHP-GFCCVEGCSA-N 2 1 313.239 2.990 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423293713 429057910 /nfs/dbraw/zinc/05/79/10/429057910.db2.gz AOQNWJSDKGPHAS-ROUUACIJSA-N 2 1 315.465 2.825 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)[NH3+])c1ccc(I)cc1 ZINC000423288129 429058133 /nfs/dbraw/zinc/05/81/33/429058133.db2.gz QQPVLQKDRCTIDR-SECBINFHSA-N 2 1 318.202 2.679 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@H]1CCN(C(C)=O)Cc2ccccc21 ZINC000423296652 429058637 /nfs/dbraw/zinc/05/86/37/429058637.db2.gz HFVUMKWAKBSGKC-WMZOPIPTSA-N 2 1 303.450 2.587 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423309589 429059505 /nfs/dbraw/zinc/05/95/05/429059505.db2.gz QGVOFFCCGMCCCI-KXBFYZLASA-N 2 1 323.440 2.711 20 0 DFADMP CCC[NH2+]CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423319333 429062555 /nfs/dbraw/zinc/06/25/55/429062555.db2.gz ZWAMQDANVNDTCM-XUVXKRRUSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(F)c(Br)c1 ZINC000423323857 429064606 /nfs/dbraw/zinc/06/46/06/429064606.db2.gz PAGKIKYUXSKHFT-AMIZOPFISA-N 2 1 301.203 2.976 20 0 DFADMP C[C@H](NC[C@]1(C)CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423326423 429066131 /nfs/dbraw/zinc/06/61/31/429066131.db2.gz KMTGYDMHCKIJIV-QFBILLFUSA-N 2 1 319.493 2.667 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C[NH3+])C(C)(C)C)cc1)C1CC1 ZINC000423966563 429066889 /nfs/dbraw/zinc/06/68/89/429066889.db2.gz ZNMFQTJYTYZFAY-KRWDZBQOSA-N 2 1 317.477 2.774 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)CCCO2 ZINC000423351385 429070356 /nfs/dbraw/zinc/07/03/56/429070356.db2.gz ZAHBLONKRDIELT-FUHWJXTLSA-N 2 1 304.434 2.888 20 0 DFADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000376180487 429072165 /nfs/dbraw/zinc/07/21/65/429072165.db2.gz HFROMRCSALMKAP-IXDOHACOSA-N 2 1 324.509 2.671 20 0 DFADMP C[N@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000434183430 429075889 /nfs/dbraw/zinc/07/58/89/429075889.db2.gz NHKLKGBBSGAJMY-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000434183430 429075893 /nfs/dbraw/zinc/07/58/93/429075893.db2.gz NHKLKGBBSGAJMY-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](Cc1ccc(OC[C@H]2CCCO2)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000434183430 429075897 /nfs/dbraw/zinc/07/58/97/429075897.db2.gz NHKLKGBBSGAJMY-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@@H]2C)c(C)c1OC ZINC000423383255 429076212 /nfs/dbraw/zinc/07/62/12/429076212.db2.gz PKHLEQCGQKYFLZ-JGGQBBKZSA-N 2 1 306.450 2.673 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)c1OC ZINC000423383253 429077562 /nfs/dbraw/zinc/07/75/62/429077562.db2.gz PKHLEQCGQKYFLZ-DUVNUKRYSA-N 2 1 306.450 2.673 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@H+](C2CC2)C[C@@H](C)C1 ZINC000452169988 429077705 /nfs/dbraw/zinc/07/77/05/429077705.db2.gz HLJTVEQFFHETLI-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP C[NH2+][C@H](C)C[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000423381413 429077849 /nfs/dbraw/zinc/07/78/49/429077849.db2.gz FNROGZFVQPVKTA-NXEZZACHSA-N 2 1 303.219 2.717 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)CC[NH2+]1 ZINC000423390506 429079210 /nfs/dbraw/zinc/07/92/10/429079210.db2.gz WFALQXGTOKQPJM-RVKKMQEKSA-N 2 1 310.445 2.980 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000423422183 429085276 /nfs/dbraw/zinc/08/52/76/429085276.db2.gz YNHXTZPIRWUZKM-KSSFIOAISA-N 2 1 315.461 2.701 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423424088 429086160 /nfs/dbraw/zinc/08/61/60/429086160.db2.gz CLJWLFNMPLHZAK-WCIQWLHISA-N 3 1 313.489 2.800 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000423424088 429086164 /nfs/dbraw/zinc/08/61/64/429086164.db2.gz CLJWLFNMPLHZAK-WCIQWLHISA-N 3 1 313.489 2.800 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423433185 429086479 /nfs/dbraw/zinc/08/64/79/429086479.db2.gz MZNJMTDPJIEIJF-MRXNPFEDSA-N 2 1 305.466 2.561 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000423434309 429087324 /nfs/dbraw/zinc/08/73/24/429087324.db2.gz KLWWTDFNAJRRLN-YOEHRIQHSA-N 2 1 303.450 2.653 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@H]2CC[N@H+](CC(C)C)C2)c1 ZINC000424434497 429143355 /nfs/dbraw/zinc/14/33/55/429143355.db2.gz JXUDUNOTCQROEN-OAHLLOKOSA-N 2 1 318.465 2.553 20 0 DFADMP c1[nH]nc2c1CC[C@H]([NH2+]C1CC[NH+](Cc3ccccc3)CC1)C2 ZINC000363936532 429143567 /nfs/dbraw/zinc/14/35/67/429143567.db2.gz HDXAGISCBQMJNO-SFHVURJKSA-N 2 1 310.445 2.521 20 0 DFADMP CCSCC[NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000363929799 429143929 /nfs/dbraw/zinc/14/39/29/429143929.db2.gz VRZWBZBUFCJQCV-UHFFFAOYSA-N 3 1 313.555 2.525 20 0 DFADMP COc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](C)[C@H](C)C3)c2cc1OC ZINC000413155890 429151512 /nfs/dbraw/zinc/15/15/12/429151512.db2.gz DEBISQVIXFQRIF-CHWSQXEVSA-N 2 1 315.417 2.569 20 0 DFADMP Nc1cccc(C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435613876 429154092 /nfs/dbraw/zinc/15/40/92/429154092.db2.gz CUIVWJNPQZUEOL-LJQANCHMSA-N 2 1 310.445 2.808 20 0 DFADMP Nc1cccc(C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)c1 ZINC000435613876 429154096 /nfs/dbraw/zinc/15/40/96/429154096.db2.gz CUIVWJNPQZUEOL-LJQANCHMSA-N 2 1 310.445 2.808 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@@H](O)CSC)CC1)CC(C)C ZINC000494779193 429154400 /nfs/dbraw/zinc/15/44/00/429154400.db2.gz AIHCOCAWENOEFH-QGZVFWFLSA-N 2 1 316.555 2.790 20 0 DFADMP CC[N@@H+](CCc1nc2ccccc2n1C)[C@@H]1CCC[NH2+]CC1 ZINC000435628080 429155024 /nfs/dbraw/zinc/15/50/24/429155024.db2.gz UAZXQEAWZTVHOV-OAHLLOKOSA-N 2 1 300.450 2.580 20 0 DFADMP [NH3+][C@H](CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)CC1CCCCC1 ZINC000424139826 429098658 /nfs/dbraw/zinc/09/86/58/429098658.db2.gz VQGLUQASPVCKSS-DLBZAZTESA-N 2 1 321.509 2.665 20 0 DFADMP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@H]1CC[N@H+](C2CC2)C1 ZINC000424141376 429099137 /nfs/dbraw/zinc/09/91/37/429099137.db2.gz CKNXYJYJXRAVNG-WMZOPIPTSA-N 2 1 321.509 2.759 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cncn2C(C)C)[C@@H](C)C1 ZINC000424140429 429099458 /nfs/dbraw/zinc/09/94/58/429099458.db2.gz FYPWSDQRWHGQTM-FUHWJXTLSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cncn2C(C)C)[C@@H](C)C1 ZINC000424140429 429099463 /nfs/dbraw/zinc/09/94/63/429099463.db2.gz FYPWSDQRWHGQTM-FUHWJXTLSA-N 2 1 322.497 2.691 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423493443 429099856 /nfs/dbraw/zinc/09/98/56/429099856.db2.gz QBLOHOFQLUIQNG-YSHGAJCASA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000423493443 429099860 /nfs/dbraw/zinc/09/98/60/429099860.db2.gz QBLOHOFQLUIQNG-YSHGAJCASA-N 3 1 301.478 2.614 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)oc1C ZINC000423500351 429101861 /nfs/dbraw/zinc/10/18/61/429101861.db2.gz ABRQCJFLIHQWJD-ODIFPOPNSA-N 2 1 305.466 2.763 20 0 DFADMP FCCC[C@H]1CCC[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423500505 429102259 /nfs/dbraw/zinc/10/22/59/429102259.db2.gz APKJWZZENOKYHK-AQEOSJORSA-N 2 1 311.489 2.711 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(-c2ccncc2)cc1 ZINC000423504933 429102366 /nfs/dbraw/zinc/10/23/66/429102366.db2.gz GFHPOEVYPOUVLT-HNAYVOBHSA-N 2 1 311.429 2.778 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424164220 429102865 /nfs/dbraw/zinc/10/28/65/429102865.db2.gz YQRPJQAAZAUNTM-WBVHZDCISA-N 2 1 311.514 2.911 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423506513 429103591 /nfs/dbraw/zinc/10/35/91/429103591.db2.gz HWMWKTUQTWYHHA-ZSYWTGECSA-N 2 1 324.472 2.792 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423510514 429103644 /nfs/dbraw/zinc/10/36/44/429103644.db2.gz MMRIKDLWASYYAN-GIESBBMHSA-N 2 1 313.489 2.726 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000423508871 429104126 /nfs/dbraw/zinc/10/41/26/429104126.db2.gz QZJIAEYKSYORBB-WJFTUGDTSA-N 2 1 301.478 2.711 20 0 DFADMP COc1cccc(C[C@H](C2CC2)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c1 ZINC000423512945 429104561 /nfs/dbraw/zinc/10/45/61/429104561.db2.gz QVGFXMIHXBOAPT-NIKGAXFTSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000423507588 429104576 /nfs/dbraw/zinc/10/45/76/429104576.db2.gz JQIMLTOPQYWYLX-FHERZECASA-N 2 1 307.507 2.924 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H](C[NH3+])C1CCCC1 ZINC000423507892 429104728 /nfs/dbraw/zinc/10/47/28/429104728.db2.gz IRJXDPUQARRYNW-LZQZEXGQSA-N 2 1 301.478 2.614 20 0 DFADMP c1[nH+]c(C2CC[NH+](C[C@H]3CCCCO3)CC2)n2c1CCCC2 ZINC000434672061 429104761 /nfs/dbraw/zinc/10/47/61/429104761.db2.gz LIDMCIDEGJZOGM-QGZVFWFLSA-N 2 1 303.450 2.968 20 0 DFADMP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(F)c1F ZINC000423522305 429108666 /nfs/dbraw/zinc/10/86/66/429108666.db2.gz UPMQQEZWWBCVDM-NFOMZHRRSA-N 2 1 323.431 2.832 20 0 DFADMP Cc1nn(C)c2sc([C@@H](C)[N@H+]3C[C@@H](C)[C@](C)(C[NH3+])C3)cc12 ZINC000423531576 429110485 /nfs/dbraw/zinc/11/04/85/429110485.db2.gz YDJLYMGKWMTKLL-NSODJVPESA-N 2 1 306.479 2.921 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1 ZINC000423534097 429110916 /nfs/dbraw/zinc/11/09/16/429110916.db2.gz VDDPSGAYUPAZBC-KBXCAEBGSA-N 2 1 306.450 2.880 20 0 DFADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@@H](c1ccccc1)C1CCCCC1 ZINC000423530226 429111007 /nfs/dbraw/zinc/11/10/07/429111007.db2.gz YNEGVLACDIIWFA-OALUTQOASA-N 2 1 301.478 2.801 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000423529168 429111105 /nfs/dbraw/zinc/11/11/05/429111105.db2.gz OBXWMHRPKMDSPQ-MSOLQXFVSA-N 2 1 308.441 2.880 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424294342 429121250 /nfs/dbraw/zinc/12/12/50/429121250.db2.gz QAEKXCLGLKGLEI-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP Fc1cc(F)cc(C[NH+]2CCC(n3ncc4c3C[NH2+]C4)CC2)c1 ZINC000424297571 429121732 /nfs/dbraw/zinc/12/17/32/429121732.db2.gz SYQRIYIMBGREJZ-UHFFFAOYSA-N 2 1 318.371 2.602 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)s1 ZINC000424301155 429122429 /nfs/dbraw/zinc/12/24/29/429122429.db2.gz XGACKCPCGKJZMK-GFCCVEGCSA-N 2 1 322.474 2.807 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(F)c1 ZINC000424299898 429122755 /nfs/dbraw/zinc/12/27/55/429122755.db2.gz WDJLILMWLFECJH-CQSZACIVSA-N 2 1 319.424 2.537 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CC(=O)Nc1ccc(Cl)cc1)CC[NH2+]CC2 ZINC000424300581 429123318 /nfs/dbraw/zinc/12/33/18/429123318.db2.gz WURBULGSQKKGPK-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435133080 429125147 /nfs/dbraw/zinc/12/51/47/429125147.db2.gz OPJNEQSVXVDHLU-AWEZNQCLSA-N 2 1 302.422 2.833 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435133080 429125150 /nfs/dbraw/zinc/12/51/50/429125150.db2.gz OPJNEQSVXVDHLU-AWEZNQCLSA-N 2 1 302.422 2.833 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435133080 429125153 /nfs/dbraw/zinc/12/51/53/429125153.db2.gz OPJNEQSVXVDHLU-AWEZNQCLSA-N 2 1 302.422 2.833 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435133080 429125157 /nfs/dbraw/zinc/12/51/57/429125157.db2.gz OPJNEQSVXVDHLU-AWEZNQCLSA-N 2 1 302.422 2.833 20 0 DFADMP COC(=O)CC1CC([NH2+]CC[C@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000424321045 429126145 /nfs/dbraw/zinc/12/61/45/429126145.db2.gz UFDSXXBQLINCDP-ZLPCBKJTSA-N 2 1 318.461 2.828 20 0 DFADMP COC(=O)CC1CC([NH2+]C[C@@H]2CCC[N@H+]2C2CCCCC2)C1 ZINC000424351018 429129461 /nfs/dbraw/zinc/12/94/61/429129461.db2.gz OWFALUAYIZKYBF-DQPZFDDXSA-N 2 1 308.466 2.715 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000435373661 429133200 /nfs/dbraw/zinc/13/32/00/429133200.db2.gz NWTLVTMBFNOKJE-HUUCEWRRSA-N 2 1 311.429 2.926 20 0 DFADMP CC[N@@H+](Cc1cc(OC)c(OC)cc1C)[C@H]1CCC[NH2+]CC1 ZINC000435381718 429136723 /nfs/dbraw/zinc/13/67/23/429136723.db2.gz VKLPNBQWCWWMCI-INIZCTEOSA-N 2 1 306.450 2.976 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000435377702 429137490 /nfs/dbraw/zinc/13/74/90/429137490.db2.gz FJZGXDUCUZQVNI-WDSOQIARSA-N 2 1 323.440 2.926 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435437484 429142196 /nfs/dbraw/zinc/14/21/96/429142196.db2.gz KTFYICIOBJDZHJ-MRXNPFEDSA-N 2 1 302.397 2.585 20 0 DFADMP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435437484 429142199 /nfs/dbraw/zinc/14/21/99/429142199.db2.gz KTFYICIOBJDZHJ-MRXNPFEDSA-N 2 1 302.397 2.585 20 0 DFADMP CCC(CC)C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435430717 429142260 /nfs/dbraw/zinc/14/22/60/429142260.db2.gz FCFZXJYJTKNLLM-INIZCTEOSA-N 2 1 304.482 2.800 20 0 DFADMP Cc1ccccc1[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000494937210 429164857 /nfs/dbraw/zinc/16/48/57/429164857.db2.gz DMYABGIESZCNEF-MOPGFXCFSA-N 2 1 302.462 2.883 20 0 DFADMP Cc1ccccc1[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000494937210 429164858 /nfs/dbraw/zinc/16/48/58/429164858.db2.gz DMYABGIESZCNEF-MOPGFXCFSA-N 2 1 302.462 2.883 20 0 DFADMP OC[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CCCC1 ZINC000290162128 275049716 /nfs/dbraw/zinc/04/97/16/275049716.db2.gz MALZWGDPYNTZRP-FQEVSTJZSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000487527291 429159300 /nfs/dbraw/zinc/15/93/00/429159300.db2.gz ZVLZRWGYNIMVTM-BXUZGUMPSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000487527291 429159304 /nfs/dbraw/zinc/15/93/04/429159304.db2.gz ZVLZRWGYNIMVTM-BXUZGUMPSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(CCc2ccnn2C)C1 ZINC000364303522 429177697 /nfs/dbraw/zinc/17/76/97/429177697.db2.gz NQFUGDJWSFEHEG-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC000364303522 429177699 /nfs/dbraw/zinc/17/76/99/429177699.db2.gz NQFUGDJWSFEHEG-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2ccnn2C)C1 ZINC000364303522 429177703 /nfs/dbraw/zinc/17/77/03/429177703.db2.gz NQFUGDJWSFEHEG-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2ccnn2C)C1 ZINC000364303522 429177705 /nfs/dbraw/zinc/17/77/05/429177705.db2.gz NQFUGDJWSFEHEG-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2ccnn2C)C1 ZINC000364303522 429177709 /nfs/dbraw/zinc/17/77/09/429177709.db2.gz NQFUGDJWSFEHEG-DLBZAZTESA-N 2 1 304.482 2.549 20 0 DFADMP c1cc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cs1 ZINC000436292603 429193392 /nfs/dbraw/zinc/19/33/92/429193392.db2.gz SVHISAYUCKUEST-LBPRGKRZSA-N 2 1 302.447 2.712 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000364481937 429211785 /nfs/dbraw/zinc/21/17/85/429211785.db2.gz HAQNWMRLIVNBLA-WMZOPIPTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CCO)CC1 ZINC000364481937 429211789 /nfs/dbraw/zinc/21/17/89/429211789.db2.gz HAQNWMRLIVNBLA-WMZOPIPTSA-N 2 1 302.462 2.649 20 0 DFADMP O=C1O[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC12CCC2 ZINC000365234693 429284179 /nfs/dbraw/zinc/28/41/79/429284179.db2.gz PJWLOFXRIOJVMG-DLBZAZTESA-N 2 1 320.477 2.670 20 0 DFADMP O=C1O[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC12CCC2 ZINC000365234693 429284182 /nfs/dbraw/zinc/28/41/82/429284182.db2.gz PJWLOFXRIOJVMG-DLBZAZTESA-N 2 1 320.477 2.670 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442770806 429234850 /nfs/dbraw/zinc/23/48/50/429234850.db2.gz YGRVAKIFHHCVOP-OWCLPIDISA-N 2 1 303.450 2.608 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)c(C)c1 ZINC000442770806 429234851 /nfs/dbraw/zinc/23/48/51/429234851.db2.gz YGRVAKIFHHCVOP-OWCLPIDISA-N 2 1 303.450 2.608 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]1C[NH+]1CCCCCC1 ZINC000364623350 429236357 /nfs/dbraw/zinc/23/63/57/429236357.db2.gz NDEPTKIVEYMYEA-GOSISDBHSA-N 2 1 304.482 2.922 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(-c2cccs2)n1 ZINC000442929595 429240555 /nfs/dbraw/zinc/24/05/55/429240555.db2.gz SBBGLWCUHQZSEO-CYBMUJFWSA-N 2 1 304.463 2.709 20 0 DFADMP CC[N@@H+](CC(=O)NCC[NH+]1CCC2(CCCCC2)CC1)C1CC1 ZINC000442965454 429242648 /nfs/dbraw/zinc/24/26/48/429242648.db2.gz JQVCKKUVAFWQPG-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)c1 ZINC000364728489 429256742 /nfs/dbraw/zinc/25/67/42/429256742.db2.gz SVKTVSYHXKAYGP-WMZOPIPTSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H](O)c3ccccc3)C2)c1 ZINC000364728489 429256743 /nfs/dbraw/zinc/25/67/43/429256743.db2.gz SVKTVSYHXKAYGP-WMZOPIPTSA-N 2 1 311.429 2.857 20 0 DFADMP OC1(c2ccccc2)CCC([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)CC1 ZINC000364725112 429257688 /nfs/dbraw/zinc/25/76/88/429257688.db2.gz SQUISRPYLTXCQD-PPDQVPDSSA-N 2 1 314.473 2.891 20 0 DFADMP CC(C)n1ccnc1CN1CCC[N@@H+](C[C@@H]2CCC=CO2)CC1 ZINC000364763722 429264245 /nfs/dbraw/zinc/26/42/45/429264245.db2.gz GGXLJOREALNMDQ-KRWDZBQOSA-N 2 1 318.465 2.664 20 0 DFADMP CCc1cccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000364928761 429269377 /nfs/dbraw/zinc/26/93/77/429269377.db2.gz GIZCYTXVAWGMJG-PXNSSMCTSA-N 2 1 315.505 2.707 20 0 DFADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)OCCCCO2 ZINC000449093764 429331246 /nfs/dbraw/zinc/33/12/46/429331246.db2.gz YFFZMOFUGLIRHQ-IRXDYDNUSA-N 2 1 316.445 2.954 20 0 DFADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)OCCCCO2 ZINC000449093764 429331250 /nfs/dbraw/zinc/33/12/50/429331250.db2.gz YFFZMOFUGLIRHQ-IRXDYDNUSA-N 2 1 316.445 2.954 20 0 DFADMP CCOC(=O)c1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[nH]c1C ZINC000449142399 429342138 /nfs/dbraw/zinc/34/21/38/429342138.db2.gz OBIMAWXKMSJGJS-INIZCTEOSA-N 2 1 323.481 2.956 20 0 DFADMP CO[C@@H](C[N@@H+](C)[C@H]1CCC[NH+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425789 429293285 /nfs/dbraw/zinc/29/32/85/429293285.db2.gz UWFRSDZTODFGGS-GBESFXJTSA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@@H](C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425789 429293291 /nfs/dbraw/zinc/29/32/91/429293291.db2.gz UWFRSDZTODFGGS-GBESFXJTSA-N 2 1 324.509 2.623 20 0 DFADMP CO[C@@H](C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H](OC)C2CC2)CC1)C1CC1 ZINC000425425789 429293294 /nfs/dbraw/zinc/29/32/94/429293294.db2.gz UWFRSDZTODFGGS-GBESFXJTSA-N 2 1 324.509 2.623 20 0 DFADMP COC(=O)[C@@H](CC[N@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000425439878 429297517 /nfs/dbraw/zinc/29/75/17/429297517.db2.gz CUPZNFYNQLFRQV-SFHVURJKSA-N 2 1 318.461 2.751 20 0 DFADMP COC(=O)[C@@H](CC[N@@H+](C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000425439878 429297519 /nfs/dbraw/zinc/29/75/19/429297519.db2.gz CUPZNFYNQLFRQV-SFHVURJKSA-N 2 1 318.461 2.751 20 0 DFADMP CC(C)[C@H]1C[N@@H+](C)CCN1CC[NH+](C)Cc1ccc(F)cc1 ZINC000425484636 429307461 /nfs/dbraw/zinc/30/74/61/429307461.db2.gz SMQBSEQEOLOIGF-GOSISDBHSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)[C@H]1C[NH+](C)CCN1CC[N@H+](C)Cc1ccc(F)cc1 ZINC000425484636 429307465 /nfs/dbraw/zinc/30/74/65/429307465.db2.gz SMQBSEQEOLOIGF-GOSISDBHSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)[C@H]1C[NH+](C)CCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000425484636 429307471 /nfs/dbraw/zinc/30/74/71/429307471.db2.gz SMQBSEQEOLOIGF-GOSISDBHSA-N 2 1 307.457 2.530 20 0 DFADMP COc1cc(C)ccc1C[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000449162051 429347133 /nfs/dbraw/zinc/34/71/33/429347133.db2.gz QILJOIRAPQSOSN-MRXNPFEDSA-N 2 1 318.461 2.594 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@H]2[NH3+])C1 ZINC000449347685 429395097 /nfs/dbraw/zinc/39/50/97/429395097.db2.gz DGQPRBAXRDDTFQ-BRWVUGGUSA-N 2 1 323.525 2.911 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc2ccccc21)C1CC1 ZINC000517925321 429402951 /nfs/dbraw/zinc/40/29/51/429402951.db2.gz DFEYYUXIOKGJQO-FFZOFVMBSA-N 2 1 310.441 2.740 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc2ccccc21)C1CC1 ZINC000517925321 429402956 /nfs/dbraw/zinc/40/29/56/429402956.db2.gz DFEYYUXIOKGJQO-FFZOFVMBSA-N 2 1 310.441 2.740 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)CCCOc1ccc(F)cc1 ZINC000517957533 429406206 /nfs/dbraw/zinc/40/62/06/429406206.db2.gz RMISGYXFIKFDOS-UHFFFAOYSA-N 2 1 305.397 2.893 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)CCCOc1ccc(F)cc1 ZINC000517957533 429406210 /nfs/dbraw/zinc/40/62/10/429406210.db2.gz RMISGYXFIKFDOS-UHFFFAOYSA-N 2 1 305.397 2.893 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCOC3(CCC3)C2)CC1 ZINC000449181711 429350469 /nfs/dbraw/zinc/35/04/69/429350469.db2.gz IMMRPYLHFHHFLH-KRWDZBQOSA-N 2 1 310.482 2.567 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000513336713 429362563 /nfs/dbraw/zinc/36/25/63/429362563.db2.gz ZQJOAINFGOGLAJ-LSBZLQRGSA-N 2 1 316.493 2.900 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000449242270 429365408 /nfs/dbraw/zinc/36/54/08/429365408.db2.gz DZTGQISNHVPFHD-NXHRZFHOSA-N 2 1 322.880 2.707 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000449242270 429365410 /nfs/dbraw/zinc/36/54/10/429365410.db2.gz DZTGQISNHVPFHD-NXHRZFHOSA-N 2 1 322.880 2.707 20 0 DFADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000449245129 429365737 /nfs/dbraw/zinc/36/57/37/429365737.db2.gz YQOVZTSSZIMOGR-HXUWFJFHSA-N 2 1 310.441 2.818 20 0 DFADMP Cc1ccccc1-c1ccccc1C[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000449245129 429365739 /nfs/dbraw/zinc/36/57/39/429365739.db2.gz YQOVZTSSZIMOGR-HXUWFJFHSA-N 2 1 310.441 2.818 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccccc1OCc1ccncc1)C[NH+](C)C ZINC000491550769 429373495 /nfs/dbraw/zinc/37/34/95/429373495.db2.gz YWAPZUGHYVHZEJ-INIZCTEOSA-N 2 1 313.445 2.948 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000365849178 429385290 /nfs/dbraw/zinc/38/52/90/429385290.db2.gz SNYNWCMXJJTWPW-KSZLIROESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000365849178 429385295 /nfs/dbraw/zinc/38/52/95/429385295.db2.gz SNYNWCMXJJTWPW-KSZLIROESA-N 2 1 305.466 2.987 20 0 DFADMP COc1cc2c(cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)O[C@@H](C)C2 ZINC000518924321 429440169 /nfs/dbraw/zinc/44/01/69/429440169.db2.gz CIYNBORRGXRONJ-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP CC(C)[NH2+]CCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000519537390 429463539 /nfs/dbraw/zinc/46/35/39/429463539.db2.gz FSKUDOMDWHNVNZ-HSALFYBXSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000519537390 429463542 /nfs/dbraw/zinc/46/35/42/429463542.db2.gz FSKUDOMDWHNVNZ-HSALFYBXSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000519537390 429463545 /nfs/dbraw/zinc/46/35/45/429463545.db2.gz FSKUDOMDWHNVNZ-HSALFYBXSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)CCCCO)sc2C1 ZINC000449424797 429413054 /nfs/dbraw/zinc/41/30/54/429413054.db2.gz GFBBNOKCZGQXQE-CYBMUJFWSA-N 2 1 311.495 2.550 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)CCCCO)sc2C1 ZINC000449424797 429413058 /nfs/dbraw/zinc/41/30/58/429413058.db2.gz GFBBNOKCZGQXQE-CYBMUJFWSA-N 2 1 311.495 2.550 20 0 DFADMP CCN1CCC([N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)CC1 ZINC000449476185 429429091 /nfs/dbraw/zinc/42/90/91/429429091.db2.gz ZGWPIZFJJHNYJM-UHFFFAOYSA-N 2 1 317.481 2.823 20 0 DFADMP CC[NH+]1CCC([N@H+]2CCC=C(c3cn(C(C)C)nn3)CC2)CC1 ZINC000449476185 429429099 /nfs/dbraw/zinc/42/90/99/429429099.db2.gz ZGWPIZFJJHNYJM-UHFFFAOYSA-N 2 1 317.481 2.823 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)ccn1 ZINC000427126933 429432135 /nfs/dbraw/zinc/43/21/35/429432135.db2.gz BUARFQWFGLMOAP-ICSRJNTNSA-N 2 1 323.440 2.844 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)ccn1 ZINC000427126933 429432139 /nfs/dbraw/zinc/43/21/39/429432139.db2.gz BUARFQWFGLMOAP-ICSRJNTNSA-N 2 1 323.440 2.844 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC000427104763 429433644 /nfs/dbraw/zinc/43/36/44/429433644.db2.gz QSMDZHFLHBYOSK-ICSRJNTNSA-N 2 1 323.440 2.844 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@H]4C3)cc2)c1 ZINC000427104763 429433649 /nfs/dbraw/zinc/43/36/49/429433649.db2.gz QSMDZHFLHBYOSK-ICSRJNTNSA-N 2 1 323.440 2.844 20 0 DFADMP CC(=O)N1CCCN(C[C@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC000449496166 429435234 /nfs/dbraw/zinc/43/52/34/429435234.db2.gz IUPPTDUBGLAQQX-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC000449496166 429435236 /nfs/dbraw/zinc/43/52/36/429435236.db2.gz IUPPTDUBGLAQQX-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC000449496166 429435240 /nfs/dbraw/zinc/43/52/40/429435240.db2.gz IUPPTDUBGLAQQX-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCCC(C)C)C2)CC1 ZINC000449496166 429435245 /nfs/dbraw/zinc/43/52/45/429435245.db2.gz IUPPTDUBGLAQQX-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCCC(C)C)C2)CC1 ZINC000449496166 429435247 /nfs/dbraw/zinc/43/52/47/429435247.db2.gz IUPPTDUBGLAQQX-IBGZPJMESA-N 2 1 323.525 2.689 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CCC[NH2+]C1 ZINC000519646631 429476031 /nfs/dbraw/zinc/47/60/31/429476031.db2.gz KRJSOWGQPIAOJE-MRXNPFEDSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449742063 429493300 /nfs/dbraw/zinc/49/33/00/429493300.db2.gz XSVQPLIXDBLQAU-LZQZEXGQSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000449742063 429493302 /nfs/dbraw/zinc/49/33/02/429493302.db2.gz XSVQPLIXDBLQAU-LZQZEXGQSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@@H](O)C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000449767760 429502994 /nfs/dbraw/zinc/50/29/94/429502994.db2.gz QWCOVMVJADQTJT-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[C@@H](O)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000449767760 429502996 /nfs/dbraw/zinc/50/29/96/429502996.db2.gz QWCOVMVJADQTJT-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[C@@H](O)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000449767760 429502997 /nfs/dbraw/zinc/50/29/97/429502997.db2.gz QWCOVMVJADQTJT-FUHWJXTLSA-N 2 1 304.478 2.847 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCC(=Cc2ccc(F)c(F)c2)CC1 ZINC000520248125 429507099 /nfs/dbraw/zinc/50/70/99/429507099.db2.gz PTYQLYODZUPIFC-INIZCTEOSA-N 2 1 324.415 2.757 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C[C@@H]1C ZINC000449780461 429508074 /nfs/dbraw/zinc/50/80/74/429508074.db2.gz FZTFWOCWHWNGMY-HRCADAONSA-N 2 1 310.482 2.818 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[N@H+]2CCCC2(C)C)C[C@@H]1C ZINC000449780461 429508079 /nfs/dbraw/zinc/50/80/79/429508079.db2.gz FZTFWOCWHWNGMY-HRCADAONSA-N 2 1 310.482 2.818 20 0 DFADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000449784994 429510984 /nfs/dbraw/zinc/51/09/84/429510984.db2.gz ZDKBVADMPKLZFV-UHFFFAOYSA-N 2 1 308.495 2.576 20 0 DFADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCN(c2nccs2)CC1 ZINC000449784994 429510988 /nfs/dbraw/zinc/51/09/88/429510988.db2.gz ZDKBVADMPKLZFV-UHFFFAOYSA-N 2 1 308.495 2.576 20 0 DFADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000520428177 429514654 /nfs/dbraw/zinc/51/46/54/429514654.db2.gz MYVCSRDKUCBEDB-MJGOQNOKSA-N 3 1 301.478 2.725 20 0 DFADMP Cc1cnc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)cn1 ZINC000428386421 429515424 /nfs/dbraw/zinc/51/54/24/429515424.db2.gz DKROMDBRJMMTAU-MPGHIAIKSA-N 2 1 300.450 2.795 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC3(CCCO3)CC2)CCCO1 ZINC000366802435 429516367 /nfs/dbraw/zinc/51/63/67/429516367.db2.gz XTZCEGAPMFVVMQ-AOCRQIFASA-N 2 1 310.482 2.569 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC3(CCCO3)CC2)CCCO1 ZINC000366802435 429516370 /nfs/dbraw/zinc/51/63/70/429516370.db2.gz XTZCEGAPMFVVMQ-AOCRQIFASA-N 2 1 310.482 2.569 20 0 DFADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000449828468 429519660 /nfs/dbraw/zinc/51/96/60/429519660.db2.gz XEPQMDBIGLKZEK-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@H]1c1cccs1 ZINC000366955365 429547461 /nfs/dbraw/zinc/54/74/61/429547461.db2.gz ZYXGWJFLLGIEGV-GCSSGZNBSA-N 2 1 306.475 2.693 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@H]1c1cccs1 ZINC000366955365 429547464 /nfs/dbraw/zinc/54/74/64/429547464.db2.gz ZYXGWJFLLGIEGV-GCSSGZNBSA-N 2 1 306.475 2.693 20 0 DFADMP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000521414163 429550557 /nfs/dbraw/zinc/55/05/57/429550557.db2.gz YTJZGJUWBVGUFP-BHIYHBOVSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000521414163 429550562 /nfs/dbraw/zinc/55/05/62/429550562.db2.gz YTJZGJUWBVGUFP-BHIYHBOVSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000521414163 429550566 /nfs/dbraw/zinc/55/05/66/429550566.db2.gz YTJZGJUWBVGUFP-BHIYHBOVSA-N 3 1 301.478 2.753 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000367032538 429562165 /nfs/dbraw/zinc/56/21/65/429562165.db2.gz ZWYZTBIUHDXZQA-QUCCMNQESA-N 2 1 315.505 2.761 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCC[C@H]4C[C@H]43)C2)nc(C)[nH+]1 ZINC000367032662 429562350 /nfs/dbraw/zinc/56/23/50/429562350.db2.gz BMJXSZSRJRXBBS-YLFCFFPRSA-N 2 1 300.450 2.840 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]2c2ccccc2F)CC1 ZINC000367058307 429567852 /nfs/dbraw/zinc/56/78/52/429567852.db2.gz RYLDEPDJPURZKS-LJQANCHMSA-N 2 1 319.468 2.989 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCN([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000429024186 429573235 /nfs/dbraw/zinc/57/32/35/429573235.db2.gz WSTYBVQHHNFATJ-LZLYRXPVSA-N 2 1 304.482 2.634 20 0 DFADMP CCc1ccccc1NC(=O)[C@@H](C)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000429034395 429573695 /nfs/dbraw/zinc/57/36/95/429573695.db2.gz IHUUOSJSRZIWIB-BEFAXECRSA-N 2 1 315.461 2.604 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)cc1 ZINC000429107286 429579998 /nfs/dbraw/zinc/57/99/98/429579998.db2.gz AERGCEUGQSKKDS-INIZCTEOSA-N 2 1 317.477 2.648 20 0 DFADMP COC(=O)[C@@H](CC(C)C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367132706 429585002 /nfs/dbraw/zinc/58/50/02/429585002.db2.gz FPSFXJBKCDBAEZ-NVXWUHKLSA-N 2 1 322.493 2.770 20 0 DFADMP COC(=O)[C@@H](CC(C)C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367132705 429585424 /nfs/dbraw/zinc/58/54/24/429585424.db2.gz FPSFXJBKCDBAEZ-DOTOQJQBSA-N 2 1 322.493 2.770 20 0 DFADMP CC1(C)OCc2cc(C[NH2+][C@H]3CCc4[nH+]ccn4C3)ccc2O1 ZINC000368501345 275882839 /nfs/dbraw/zinc/88/28/39/275882839.db2.gz HKWIGAZCPHWWFX-HNNXBMFYSA-N 2 1 313.401 2.633 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)o1 ZINC000366949520 429544800 /nfs/dbraw/zinc/54/48/00/429544800.db2.gz BUTNZKGYBXSULU-UHFFFAOYSA-N 2 1 320.433 2.764 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@H]2C)CC1 ZINC000524156124 429621210 /nfs/dbraw/zinc/62/12/10/429621210.db2.gz KYTDKZNUHXXCNA-IAGOWNOFSA-N 2 1 323.525 2.828 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)C[C@H]1C ZINC000450465274 429632981 /nfs/dbraw/zinc/63/29/81/429632981.db2.gz DUYGNCQERDBMGW-MJGOQNOKSA-N 2 1 303.494 2.923 20 0 DFADMP CC[NH+]1CC[C@H](N(C)CC[N@H+](C)Cc2ccccc2)C[C@H]1C ZINC000450465274 429632984 /nfs/dbraw/zinc/63/29/84/429632984.db2.gz DUYGNCQERDBMGW-MJGOQNOKSA-N 2 1 303.494 2.923 20 0 DFADMP CC[NH+]1CC[C@H](N(C)CC[N@@H+](C)Cc2ccccc2)C[C@H]1C ZINC000450465274 429632987 /nfs/dbraw/zinc/63/29/87/429632987.db2.gz DUYGNCQERDBMGW-MJGOQNOKSA-N 2 1 303.494 2.923 20 0 DFADMP CCc1cc(N2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)cc[nH+]1 ZINC000450463613 429633491 /nfs/dbraw/zinc/63/34/91/429633491.db2.gz QPQCPWORHQVMOW-KRWDZBQOSA-N 2 1 310.445 2.997 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000524771157 429635652 /nfs/dbraw/zinc/63/56/52/429635652.db2.gz LWVHFXMAFOTFQG-QGZVFWFLSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)c1cc(N2CC[N@@H+](C3CC3)C[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000450546580 429645373 /nfs/dbraw/zinc/64/53/73/429645373.db2.gz JFTKLEWOPUQKPN-AWEZNQCLSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CC[N@H+](C3CC3)C[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000450546580 429645376 /nfs/dbraw/zinc/64/53/76/429645376.db2.gz JFTKLEWOPUQKPN-AWEZNQCLSA-N 2 1 317.481 2.587 20 0 DFADMP CCC[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000450342432 429604448 /nfs/dbraw/zinc/60/44/48/429604448.db2.gz AIPCVEBWOALPBP-IBGZPJMESA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000450342433 429605307 /nfs/dbraw/zinc/60/53/07/429605307.db2.gz AIPCVEBWOALPBP-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1cc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)ccc1C[NH+](C)C ZINC000458256066 429608077 /nfs/dbraw/zinc/60/80/77/429608077.db2.gz BQSFZRAOWUQYSX-INIZCTEOSA-N 2 1 312.417 2.769 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCCC2(F)F)CC1 ZINC000450362508 429611169 /nfs/dbraw/zinc/61/11/69/429611169.db2.gz GHWXHIDMIVAGLA-HOCLYGCPSA-N 2 1 318.452 2.837 20 0 DFADMP CNC(=O)c1cccc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000523670696 429613616 /nfs/dbraw/zinc/61/36/16/429613616.db2.gz HTKBRMJGOKNKBK-UHFFFAOYSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(CN2CCN([C@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000367472806 429657609 /nfs/dbraw/zinc/65/76/09/429657609.db2.gz WBJIXKTWCKNJOP-RYRKJORJSA-N 2 1 317.477 2.615 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000367540062 429667677 /nfs/dbraw/zinc/66/76/77/429667677.db2.gz HMYCPABNYZKSPY-SFHVURJKSA-N 2 1 312.461 2.730 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000367540062 429667681 /nfs/dbraw/zinc/66/76/81/429667681.db2.gz HMYCPABNYZKSPY-SFHVURJKSA-N 2 1 312.461 2.730 20 0 DFADMP C[C@@H](O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000450650640 429670013 /nfs/dbraw/zinc/67/00/13/429670013.db2.gz RKYUFEAYWGQDHU-QGZVFWFLSA-N 2 1 302.462 2.745 20 0 DFADMP CC[NH+]1CCC([N@H+](CC2CCC3(CC2)OCCO3)C2CC2)CC1 ZINC000377013138 276149454 /nfs/dbraw/zinc/14/94/54/276149454.db2.gz MSLGYZUOEDAOEX-UHFFFAOYSA-N 2 1 322.493 2.868 20 0 DFADMP CC[NH+]1CCC([N@@H+](CC2CCC3(CC2)OCCO3)C2CC2)CC1 ZINC000377013138 276149456 /nfs/dbraw/zinc/14/94/56/276149456.db2.gz MSLGYZUOEDAOEX-UHFFFAOYSA-N 2 1 322.493 2.868 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000356321552 276184870 /nfs/dbraw/zinc/18/48/70/276184870.db2.gz QJASRKWRORFTIO-FUHWJXTLSA-N 2 1 307.526 2.937 20 0 DFADMP CCC[C@@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430554814 429689167 /nfs/dbraw/zinc/68/91/67/429689167.db2.gz NVLPGYOAQLHGBW-DOTOQJQBSA-N 2 1 319.493 2.949 20 0 DFADMP CCC[C@@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430554814 429689172 /nfs/dbraw/zinc/68/91/72/429689172.db2.gz NVLPGYOAQLHGBW-DOTOQJQBSA-N 2 1 319.493 2.949 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000174774925 276225281 /nfs/dbraw/zinc/22/52/81/276225281.db2.gz AEOXOELXRVYFLG-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000174774925 276225282 /nfs/dbraw/zinc/22/52/82/276225282.db2.gz AEOXOELXRVYFLG-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000174774925 276225283 /nfs/dbraw/zinc/22/52/83/276225283.db2.gz AEOXOELXRVYFLG-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)[C@H](C)C1 ZINC000174774925 276225285 /nfs/dbraw/zinc/22/52/85/276225285.db2.gz AEOXOELXRVYFLG-QAPCUYQASA-N 2 1 317.477 2.551 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000367639286 429690542 /nfs/dbraw/zinc/69/05/42/429690542.db2.gz UTFFWAKWNHYVLE-FGTMMUONSA-N 2 1 314.477 2.644 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cccs1 ZINC000367683429 429698888 /nfs/dbraw/zinc/69/88/88/429698888.db2.gz IVFFFZPAXULUKL-UHFFFAOYSA-N 2 1 306.479 2.922 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1cccs1 ZINC000367683429 429698891 /nfs/dbraw/zinc/69/88/91/429698891.db2.gz IVFFFZPAXULUKL-UHFFFAOYSA-N 2 1 306.479 2.922 20 0 DFADMP C[N@@H+](CCCCC(F)(F)F)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367684430 429698915 /nfs/dbraw/zinc/69/89/15/429698915.db2.gz NYBZZQAPWIMUFV-HNNXBMFYSA-N 2 1 321.431 2.819 20 0 DFADMP C[C@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)C1CC1 ZINC000430590455 429699599 /nfs/dbraw/zinc/69/95/99/429699599.db2.gz KZPPIVQZFZSPBV-OAHLLOKOSA-N 2 1 313.804 2.525 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CCC(C)CC2)CC1)C1CC1 ZINC000366744560 276313279 /nfs/dbraw/zinc/31/32/79/276313279.db2.gz PLYLRBAHTXSBKQ-UHFFFAOYSA-N 2 1 321.509 2.630 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2cncs2)[C@@H](C)C1 ZINC000361484496 276316187 /nfs/dbraw/zinc/31/61/87/276316187.db2.gz JPHDBJHCBSAABN-ZNMIVQPWSA-N 2 1 311.495 2.931 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2cncs2)[C@@H](C)C1 ZINC000361484496 276316188 /nfs/dbraw/zinc/31/61/88/276316188.db2.gz JPHDBJHCBSAABN-ZNMIVQPWSA-N 2 1 311.495 2.931 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)[C@H](C)C1 ZINC000367601029 276316239 /nfs/dbraw/zinc/31/62/39/276316239.db2.gz MAPZPCKRROHCKL-PVAVHDDUSA-N 2 1 320.481 2.514 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCCc3n[nH]cc32)[C@H](C)C1 ZINC000367601029 276316240 /nfs/dbraw/zinc/31/62/40/276316240.db2.gz MAPZPCKRROHCKL-PVAVHDDUSA-N 2 1 320.481 2.514 20 0 DFADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1cccc2ccccc21)C1CC1 ZINC000430569716 429693465 /nfs/dbraw/zinc/69/34/65/429693465.db2.gz AXLNNMGEGLNQKO-IBGZPJMESA-N 2 1 311.429 2.885 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000430579257 429696944 /nfs/dbraw/zinc/69/69/44/429696944.db2.gz BYLWROGXFYKUKY-JJRVBVJISA-N 2 1 323.456 2.697 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000430579257 429696947 /nfs/dbraw/zinc/69/69/47/429696947.db2.gz BYLWROGXFYKUKY-JJRVBVJISA-N 2 1 323.456 2.697 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCC2 ZINC000181851663 276365264 /nfs/dbraw/zinc/36/52/64/276365264.db2.gz PAEYMZGCDTUFNJ-ROUUACIJSA-N 2 1 324.509 2.813 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000430579262 429697450 /nfs/dbraw/zinc/69/74/50/429697450.db2.gz BYLWROGXFYKUKY-ZQIUZPCESA-N 2 1 323.456 2.697 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000430579262 429697454 /nfs/dbraw/zinc/69/74/54/429697454.db2.gz BYLWROGXFYKUKY-ZQIUZPCESA-N 2 1 323.456 2.697 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccccc3C)C2)CC1 ZINC000247935515 276386653 /nfs/dbraw/zinc/38/66/53/276386653.db2.gz CKPFLCOXEFJQJV-QZTJIDSGSA-N 2 1 301.478 2.768 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000430599449 429701994 /nfs/dbraw/zinc/70/19/94/429701994.db2.gz QKXCRJJQPYIDIX-JYJNAYRXSA-N 2 1 303.450 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1C ZINC000430599449 429701997 /nfs/dbraw/zinc/70/19/97/429701997.db2.gz QKXCRJJQPYIDIX-JYJNAYRXSA-N 2 1 303.450 2.690 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])C1CCCCC1 ZINC000430683185 429709586 /nfs/dbraw/zinc/70/95/86/429709586.db2.gz JNGIZTZAVJQEGV-IAGOWNOFSA-N 2 1 309.498 2.665 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)Cc2ccsc2)CC1 ZINC000526994996 429715893 /nfs/dbraw/zinc/71/58/93/429715893.db2.gz PFKHDSQVCULMOC-AWEZNQCLSA-N 2 1 317.458 2.905 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000430771430 429716520 /nfs/dbraw/zinc/71/65/20/429716520.db2.gz DDQQQMYZMYTPJB-IKGGRYGDSA-N 2 1 309.498 2.665 20 0 DFADMP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000367930579 429746555 /nfs/dbraw/zinc/74/65/55/429746555.db2.gz JDKBPJCEVOBHIK-QXAKKESOSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000367930579 429746560 /nfs/dbraw/zinc/74/65/60/429746560.db2.gz JDKBPJCEVOBHIK-QXAKKESOSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000367930579 429746564 /nfs/dbraw/zinc/74/65/64/429746564.db2.gz JDKBPJCEVOBHIK-QXAKKESOSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000367930579 429746568 /nfs/dbraw/zinc/74/65/68/429746568.db2.gz JDKBPJCEVOBHIK-QXAKKESOSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)c1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)nc(N(C)C)[nH+]1 ZINC000481984960 429722924 /nfs/dbraw/zinc/72/29/24/429722924.db2.gz OJHAAVVNVCQRPR-GOEBONIOSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)nc(N(C)C)[nH+]1 ZINC000481984960 429722927 /nfs/dbraw/zinc/72/29/27/429722927.db2.gz OJHAAVVNVCQRPR-GOEBONIOSA-N 2 1 317.481 2.587 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1[NH3+] ZINC000430915562 429723978 /nfs/dbraw/zinc/72/39/78/429723978.db2.gz DCGDTPHJWHOAPB-KXBFYZLASA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000430938153 429726221 /nfs/dbraw/zinc/72/62/21/429726221.db2.gz APZUNSMBVWAPDF-GHMZBOCLSA-N 2 1 306.435 2.918 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430960225 429729056 /nfs/dbraw/zinc/72/90/56/429729056.db2.gz HQPRZQHFJCSAOU-CVEARBPZSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430960225 429729061 /nfs/dbraw/zinc/72/90/61/429729061.db2.gz HQPRZQHFJCSAOU-CVEARBPZSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@H]1[C@H]([NH+]2CCCC2)CCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000367855730 429731211 /nfs/dbraw/zinc/73/12/11/429731211.db2.gz IXEZXFJRHVZALN-QFBILLFUSA-N 2 1 319.468 2.816 20 0 DFADMP Cc1ccc(C[C@@H](C)[N@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431074581 429739381 /nfs/dbraw/zinc/73/93/81/429739381.db2.gz WBBFIVPGFYOTIW-CYBMUJFWSA-N 2 1 302.422 2.635 20 0 DFADMP Cc1ccc(C[C@@H](C)[N@@H+](C)Cc2nc(C(C)(C)[NH3+])no2)cc1 ZINC000431074581 429739384 /nfs/dbraw/zinc/73/93/84/429739384.db2.gz WBBFIVPGFYOTIW-CYBMUJFWSA-N 2 1 302.422 2.635 20 0 DFADMP C[C@@H]1C[N@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1c1ccccc1 ZINC000431085273 429741539 /nfs/dbraw/zinc/74/15/39/429741539.db2.gz JLPRVDLZNRQQSO-HIFRSBDPSA-N 2 1 314.433 2.889 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)CC[C@@H]1c1ccccc1 ZINC000431085273 429741544 /nfs/dbraw/zinc/74/15/44/429741544.db2.gz JLPRVDLZNRQQSO-HIFRSBDPSA-N 2 1 314.433 2.889 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000450984593 429743341 /nfs/dbraw/zinc/74/33/41/429743341.db2.gz WWXJMWSKFXTYLC-ZLMZNLFFSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000450984593 429743344 /nfs/dbraw/zinc/74/33/44/429743344.db2.gz WWXJMWSKFXTYLC-ZLMZNLFFSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000450984593 429743349 /nfs/dbraw/zinc/74/33/49/429743349.db2.gz WWXJMWSKFXTYLC-ZLMZNLFFSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[N@H+]2CCC[C@@H]2CN1Cc1cncn1Cc1ccccc1 ZINC000527324973 429744715 /nfs/dbraw/zinc/74/47/15/429744715.db2.gz UVAKJRMPRDGYSZ-SJLPKXTDSA-N 2 1 310.445 2.600 20 0 DFADMP CNC(=O)CC[C@H]1CCCC[N@H+]1C[C@H]1CCCCN1C(C)C ZINC000450993396 429745191 /nfs/dbraw/zinc/74/51/91/429745191.db2.gz VRQMJDFYVYWZMX-IAGOWNOFSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1csc(C[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)n1 ZINC000432074631 429799014 /nfs/dbraw/zinc/79/90/14/429799014.db2.gz CKRPKKVGCCXPAF-CYBMUJFWSA-N 2 1 302.447 2.974 20 0 DFADMP Cc1csc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)n1 ZINC000432074631 429799017 /nfs/dbraw/zinc/79/90/17/429799017.db2.gz CKRPKKVGCCXPAF-CYBMUJFWSA-N 2 1 302.447 2.974 20 0 DFADMP OC1CC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000527816907 429804624 /nfs/dbraw/zinc/80/46/24/429804624.db2.gz XTOQIYDGQOCGBZ-ADKAHSJRSA-N 2 1 300.446 2.544 20 0 DFADMP OC1CC(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000527816907 429804628 /nfs/dbraw/zinc/80/46/28/429804628.db2.gz XTOQIYDGQOCGBZ-ADKAHSJRSA-N 2 1 300.446 2.544 20 0 DFADMP OC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000367997817 429762185 /nfs/dbraw/zinc/76/21/85/429762185.db2.gz GLLMHZUEEBKOLF-GBESFXJTSA-N 2 1 314.473 2.792 20 0 DFADMP C[N@H+](CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21)C1CCCCC1 ZINC000368011368 429767289 /nfs/dbraw/zinc/76/72/89/429767289.db2.gz GWWZBNMSJMFENN-INIZCTEOSA-N 2 1 318.465 2.531 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1CCCc2[nH+]ccn21)C1CCCCC1 ZINC000368011368 429767293 /nfs/dbraw/zinc/76/72/93/429767293.db2.gz GWWZBNMSJMFENN-INIZCTEOSA-N 2 1 318.465 2.531 20 0 DFADMP CC[N@@H+]1CCc2c(cccc2NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000368197183 429807633 /nfs/dbraw/zinc/80/76/33/429807633.db2.gz BNHAQJFHSVUUJI-UHFFFAOYSA-N 2 1 324.428 2.778 20 0 DFADMP CC[N@H+]1CCc2c(cccc2NC(=O)c2c[nH+]ccc2N(C)C)C1 ZINC000368197183 429807636 /nfs/dbraw/zinc/80/76/36/429807636.db2.gz BNHAQJFHSVUUJI-UHFFFAOYSA-N 2 1 324.428 2.778 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000431727620 429779427 /nfs/dbraw/zinc/77/94/27/429779427.db2.gz LDHKCPFDDJSEJT-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000431782891 429782779 /nfs/dbraw/zinc/78/27/79/429782779.db2.gz HNCRFVURUHNNBQ-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000431782891 429782780 /nfs/dbraw/zinc/78/27/80/429782780.db2.gz HNCRFVURUHNNBQ-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000431782891 429782784 /nfs/dbraw/zinc/78/27/84/429782784.db2.gz HNCRFVURUHNNBQ-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451194657 429784083 /nfs/dbraw/zinc/78/40/83/429784083.db2.gz WHZLOXBSDLUAOD-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431912753 429789503 /nfs/dbraw/zinc/78/95/03/429789503.db2.gz JXEYIECEAQADRK-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000368105072 429789735 /nfs/dbraw/zinc/78/97/35/429789735.db2.gz NUCMNLDHZVJRCB-MFKMUULPSA-N 2 1 301.365 2.692 20 0 DFADMP CCCn1nc(C)c(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000368130341 429793385 /nfs/dbraw/zinc/79/33/85/429793385.db2.gz AUZWSXZDXPCODH-MRXNPFEDSA-N 2 1 315.465 2.801 20 0 DFADMP CCCn1nc(C)c(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1C ZINC000368130341 429793388 /nfs/dbraw/zinc/79/33/88/429793388.db2.gz AUZWSXZDXPCODH-MRXNPFEDSA-N 2 1 315.465 2.801 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)[C@H](C)C1 ZINC000527923653 429821186 /nfs/dbraw/zinc/82/11/86/429821186.db2.gz DIBWWEGRMVEJQJ-KURKYZTESA-N 2 1 312.498 2.530 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C[C@H]1OC ZINC000432413434 429822078 /nfs/dbraw/zinc/82/20/78/429822078.db2.gz MMRFYBNUMIAWTH-BRWVUGGUSA-N 2 1 312.498 2.671 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000528016499 429836899 /nfs/dbraw/zinc/83/68/99/429836899.db2.gz ASCNVVWGXRSWEU-KPZODNFCSA-N 2 1 314.473 2.648 20 0 DFADMP Cc1ccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(C)n1 ZINC000368380009 429839296 /nfs/dbraw/zinc/83/92/96/429839296.db2.gz JDUFOBOSLXJNCC-UHFFFAOYSA-N 2 1 317.477 2.774 20 0 DFADMP Cc1ccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c(C)n1 ZINC000368380009 429839299 /nfs/dbraw/zinc/83/92/99/429839299.db2.gz JDUFOBOSLXJNCC-UHFFFAOYSA-N 2 1 317.477 2.774 20 0 DFADMP Cc1cccc(CCC[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000368401998 429843211 /nfs/dbraw/zinc/84/32/11/429843211.db2.gz IHKPEBOVXYCNBT-HXUWFJFHSA-N 2 1 315.505 2.639 20 0 DFADMP Cc1ccc2[nH+]ccc(NCCC[N@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000432877927 429848242 /nfs/dbraw/zinc/84/82/42/429848242.db2.gz OKTXDBVBPRUIJW-INIZCTEOSA-N 2 1 313.445 2.878 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCCC1CCOCC1 ZINC000368530471 429862849 /nfs/dbraw/zinc/86/28/49/429862849.db2.gz MRWZXLUFPBHUTA-QRVBRYPASA-N 2 1 324.509 2.767 20 0 DFADMP CC(C)Cc1ncc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000369350034 429928552 /nfs/dbraw/zinc/92/85/52/429928552.db2.gz QDMLHZSSMYWYRJ-ZDUSSCGKSA-N 2 1 304.463 2.890 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591797 429901213 /nfs/dbraw/zinc/90/12/13/429901213.db2.gz DNJREADUSXZMML-UHFFFAOYSA-N 2 1 313.449 2.727 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2nc(C(C)(C)C)ncc2C1 ZINC000528591797 429901214 /nfs/dbraw/zinc/90/12/14/429901214.db2.gz DNJREADUSXZMML-UHFFFAOYSA-N 2 1 313.449 2.727 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccnn1-c1ccccc1 ZINC000369077884 429910875 /nfs/dbraw/zinc/91/08/75/429910875.db2.gz NILHBXWVSWQNRH-GJZGRUSLSA-N 2 1 307.401 2.734 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746550 429912254 /nfs/dbraw/zinc/91/22/54/429912254.db2.gz WKDPZGDXSQDVGJ-DLBZAZTESA-N 2 1 308.441 2.706 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746550 429912256 /nfs/dbraw/zinc/91/22/56/429912256.db2.gz WKDPZGDXSQDVGJ-DLBZAZTESA-N 2 1 308.441 2.706 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746550 429912259 /nfs/dbraw/zinc/91/22/59/429912259.db2.gz WKDPZGDXSQDVGJ-DLBZAZTESA-N 2 1 308.441 2.706 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@]3(CC[C@H](C)C3)C2)CC1 ZINC000369122239 429914330 /nfs/dbraw/zinc/91/43/30/429914330.db2.gz OFDQODWBCMBDIP-OALUTQOASA-N 2 1 307.526 2.915 20 0 DFADMP Cn1cncc1C[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000368584346 429872031 /nfs/dbraw/zinc/87/20/31/429872031.db2.gz MMSOGOVGCBCUKI-SFHVURJKSA-N 2 1 312.461 2.812 20 0 DFADMP Cn1cncc1C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000368584346 429872032 /nfs/dbraw/zinc/87/20/32/429872032.db2.gz MMSOGOVGCBCUKI-SFHVURJKSA-N 2 1 312.461 2.812 20 0 DFADMP C[NH+]1CCC2(CC[N@H+](CC(=O)Nc3ccccc3Cl)C2)CC1 ZINC000639757020 429970087 /nfs/dbraw/zinc/97/00/87/429970087.db2.gz CBNLLABGYYXXAL-UHFFFAOYSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CC(=O)Nc3ccccc3Cl)C2)CC1 ZINC000639757020 429970089 /nfs/dbraw/zinc/97/00/89/429970089.db2.gz CBNLLABGYYXXAL-UHFFFAOYSA-N 2 1 321.852 2.696 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639761601 429972347 /nfs/dbraw/zinc/97/23/47/429972347.db2.gz GQJHAXUIIPATFJ-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000573684602 429972937 /nfs/dbraw/zinc/97/29/37/429972937.db2.gz MBUFCRGQWIUPAF-ZJUUUORDSA-N 2 1 308.223 2.957 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639763260 429973065 /nfs/dbraw/zinc/97/30/65/429973065.db2.gz PJUQVZFVIKETAX-UHFFFAOYSA-N 2 1 323.525 2.545 20 0 DFADMP CC(C)O[C@H](C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766838 429973285 /nfs/dbraw/zinc/97/32/85/429973285.db2.gz PBRCZVJLVCJXRP-RTBURBONSA-N 2 1 320.477 2.541 20 0 DFADMP CC(C)O[C@H](C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766838 429973287 /nfs/dbraw/zinc/97/32/87/429973287.db2.gz PBRCZVJLVCJXRP-RTBURBONSA-N 2 1 320.477 2.541 20 0 DFADMP CCCCNc1cc(C)[nH+]c(N2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000631096983 429974839 /nfs/dbraw/zinc/97/48/39/429974839.db2.gz NPGXLQRZRULRNB-AWEZNQCLSA-N 2 1 314.437 3.104 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000573724232 429976562 /nfs/dbraw/zinc/97/65/62/429976562.db2.gz XHHPGADICDIAJL-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP [NH3+][C@H]1CCC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C1 ZINC000573741401 429978505 /nfs/dbraw/zinc/97/85/05/429978505.db2.gz IBUMLCHQJKIWEG-ZUJMUWTESA-N 2 1 319.415 2.651 20 0 DFADMP O=C(NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000369365433 429931017 /nfs/dbraw/zinc/93/10/17/429931017.db2.gz BMDKTAWMTYJVSO-GOSISDBHSA-N 2 1 319.493 2.527 20 0 DFADMP COc1ncc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000639654772 429933942 /nfs/dbraw/zinc/93/39/42/429933942.db2.gz NCUQFXNBTUCQDS-LJQANCHMSA-N 2 1 311.429 2.771 20 0 DFADMP COc1ncc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c2ccccc21 ZINC000639654772 429933944 /nfs/dbraw/zinc/93/39/44/429933944.db2.gz NCUQFXNBTUCQDS-LJQANCHMSA-N 2 1 311.429 2.771 20 0 DFADMP COc1ncc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccc21 ZINC000639654772 429933948 /nfs/dbraw/zinc/93/39/48/429933948.db2.gz NCUQFXNBTUCQDS-LJQANCHMSA-N 2 1 311.429 2.771 20 0 DFADMP COc1ncc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccc21 ZINC000639654772 429933949 /nfs/dbraw/zinc/93/39/49/429933949.db2.gz NCUQFXNBTUCQDS-LJQANCHMSA-N 2 1 311.429 2.771 20 0 DFADMP COc1ccc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682125 429943762 /nfs/dbraw/zinc/94/37/62/429943762.db2.gz LOSSLULINRJRFZ-UHFFFAOYSA-N 2 1 311.429 2.845 20 0 DFADMP Fc1ccccc1OCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639682579 429944463 /nfs/dbraw/zinc/94/44/63/429944463.db2.gz YUTKJCCVMDUXJI-UHFFFAOYSA-N 2 1 315.392 2.812 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704218 429952617 /nfs/dbraw/zinc/95/26/17/429952617.db2.gz PLQGIRIRJNQDEM-UHFFFAOYSA-N 2 1 313.449 2.579 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704218 429952621 /nfs/dbraw/zinc/95/26/21/429952621.db2.gz PLQGIRIRJNQDEM-UHFFFAOYSA-N 3 1 313.449 2.579 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704218 429952628 /nfs/dbraw/zinc/95/26/28/429952628.db2.gz PLQGIRIRJNQDEM-UHFFFAOYSA-N 3 1 313.449 2.579 20 0 DFADMP Clc1ccc(C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639703721 429953077 /nfs/dbraw/zinc/95/30/77/429953077.db2.gz MPJHSUDSVSHVBX-UHFFFAOYSA-N 2 1 302.809 2.842 20 0 DFADMP Clc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639703721 429953082 /nfs/dbraw/zinc/95/30/82/429953082.db2.gz MPJHSUDSVSHVBX-UHFFFAOYSA-N 2 1 302.809 2.842 20 0 DFADMP Cc1nc(CC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cs1 ZINC000639704110 429953643 /nfs/dbraw/zinc/95/36/43/429953643.db2.gz NZFYHTBEFBSWAP-UHFFFAOYSA-N 2 1 302.447 2.601 20 0 DFADMP Clc1cc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277512 430028662 /nfs/dbraw/zinc/02/86/62/430028662.db2.gz KZJPBVCWFIVVQT-UONOGXRCSA-N 2 1 322.836 2.890 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC(Cc2nccs2)CC1 ZINC000639984610 430044004 /nfs/dbraw/zinc/04/40/04/430044004.db2.gz IHDKZMFFAIVORO-UHFFFAOYSA-N 2 1 304.463 2.764 20 0 DFADMP Cn1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000574453585 430044417 /nfs/dbraw/zinc/04/44/17/430044417.db2.gz TZAAJPXYELCMND-IEBWSBKVSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000574453585 430044419 /nfs/dbraw/zinc/04/44/19/430044419.db2.gz TZAAJPXYELCMND-IEBWSBKVSA-N 2 1 312.461 2.592 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)CCOC(C)C)CC1 ZINC000639987155 430045776 /nfs/dbraw/zinc/04/57/76/430045776.db2.gz XZHBFDVYVBLJBY-QGZVFWFLSA-N 2 1 312.498 2.503 20 0 DFADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000631748451 429988779 /nfs/dbraw/zinc/98/87/79/429988779.db2.gz GFFBZCZIKAUXBX-IBGZPJMESA-N 2 1 301.478 2.643 20 0 DFADMP O[C@@]1(C[NH+]2CCC(CCF)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639990581 430047849 /nfs/dbraw/zinc/04/78/49/430047849.db2.gz PZKGWLZRBXISKB-LJQANCHMSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@@]1(C[NH+]2CCC(CCF)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639990581 430047852 /nfs/dbraw/zinc/04/78/52/430047852.db2.gz PZKGWLZRBXISKB-LJQANCHMSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@@]1(C[N@@H+]2CCC[C@H](CCF)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639824904 429994396 /nfs/dbraw/zinc/99/43/96/429994396.db2.gz OFNFMQWXRCYKIT-RTBURBONSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@@]1(C[N@H+]2CCC[C@H](CCF)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639824904 429994401 /nfs/dbraw/zinc/99/44/01/429994401.db2.gz OFNFMQWXRCYKIT-RTBURBONSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@@]1(C[NH+]2CCC[C@H](CCF)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639824904 429994404 /nfs/dbraw/zinc/99/44/04/429994404.db2.gz OFNFMQWXRCYKIT-RTBURBONSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@@]1(C[NH+]2CCC[C@H](CCF)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639824904 429994408 /nfs/dbraw/zinc/99/44/08/429994408.db2.gz OFNFMQWXRCYKIT-RTBURBONSA-N 2 1 320.452 2.695 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000573930932 429996479 /nfs/dbraw/zinc/99/64/79/429996479.db2.gz GIFAAWZZQOBIAM-ZIFCJYIRSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Oc1ccccc1C ZINC000573930932 429996482 /nfs/dbraw/zinc/99/64/82/429996482.db2.gz GIFAAWZZQOBIAM-ZIFCJYIRSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000573930931 429996792 /nfs/dbraw/zinc/99/67/92/429996792.db2.gz GIFAAWZZQOBIAM-ZHALLVOQSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Oc1ccccc1C ZINC000573930931 429996797 /nfs/dbraw/zinc/99/67/97/429996797.db2.gz GIFAAWZZQOBIAM-ZHALLVOQSA-N 2 1 320.477 2.587 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2C=CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000559146041 429999176 /nfs/dbraw/zinc/99/91/76/429999176.db2.gz VCGXUGCDWNWZTR-QYZOEREBSA-N 2 1 305.510 2.833 20 0 DFADMP OCC1([C@H]([NH2+]CCC[NH+]2CCCCC2)c2ccncc2)CCC1 ZINC000639880939 430008890 /nfs/dbraw/zinc/00/88/90/430008890.db2.gz YVDCUWCKQGLLEJ-GOSISDBHSA-N 2 1 317.477 2.751 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc3cc[nH]c3c2)CC1 ZINC000529527434 430021385 /nfs/dbraw/zinc/02/13/85/430021385.db2.gz CMIIQWSSAKVIFR-HNNXBMFYSA-N 2 1 315.461 2.693 20 0 DFADMP O[C@@]1(C[NH2+]C[C@@H]2CCCC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634715617 430087995 /nfs/dbraw/zinc/08/79/95/430087995.db2.gz GVUMFUVQMPUIHL-DLBZAZTESA-N 2 1 324.415 2.648 20 0 DFADMP O[C@@]1(C[NH2+]C[C@@H]2CCCC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715617 430087998 /nfs/dbraw/zinc/08/79/98/430087998.db2.gz GVUMFUVQMPUIHL-DLBZAZTESA-N 2 1 324.415 2.648 20 0 DFADMP Cc1ncc([C@H](C)NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000634726946 430091329 /nfs/dbraw/zinc/09/13/29/430091329.db2.gz GSTUSEAIZZMXLF-XJKSGUPXSA-N 2 1 319.474 2.595 20 0 DFADMP Cc1ncc([C@H](C)[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)s1 ZINC000634726946 430091334 /nfs/dbraw/zinc/09/13/34/430091334.db2.gz GSTUSEAIZZMXLF-XJKSGUPXSA-N 2 1 319.474 2.595 20 0 DFADMP CCc1[nH+]c2ccccc2c(N2CC[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000561520779 430093226 /nfs/dbraw/zinc/09/32/26/430093226.db2.gz BWKOEDAZKLDJFB-AWEZNQCLSA-N 2 1 313.445 2.608 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)c1ccc(F)cc1 ZINC000530220947 430105302 /nfs/dbraw/zinc/10/53/02/430105302.db2.gz KVKFFXNCSDPGOZ-LZLYRXPVSA-N 2 1 306.425 2.835 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](O)CN(C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035739 430107069 /nfs/dbraw/zinc/10/70/69/430107069.db2.gz OHGMCASJIRUCRA-UXPWSPDFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035739 430107074 /nfs/dbraw/zinc/10/70/74/430107074.db2.gz OHGMCASJIRUCRA-UXPWSPDFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035739 430107076 /nfs/dbraw/zinc/10/70/76/430107076.db2.gz OHGMCASJIRUCRA-UXPWSPDFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035739 430107081 /nfs/dbraw/zinc/10/70/81/430107081.db2.gz OHGMCASJIRUCRA-UXPWSPDFSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035739 430107085 /nfs/dbraw/zinc/10/70/85/430107085.db2.gz OHGMCASJIRUCRA-UXPWSPDFSA-N 2 1 316.489 2.957 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241212 430107329 /nfs/dbraw/zinc/10/73/29/430107329.db2.gz DNELDEQWIWTQEN-KGLIPLIRSA-N 2 1 302.466 2.520 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cs1 ZINC000530239680 430107951 /nfs/dbraw/zinc/10/79/51/430107951.db2.gz GZNYUNDIIGCMKO-INIZCTEOSA-N 2 1 323.506 2.857 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NC[C@H]2CC[N@H+]2C2CCCCC2)CC1 ZINC000529714331 430057079 /nfs/dbraw/zinc/05/70/79/430057079.db2.gz HKYIAUTYAMOQRE-GOSISDBHSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)O1 ZINC000634687862 430078194 /nfs/dbraw/zinc/07/81/94/430078194.db2.gz BJYIWHWSBQYBIU-NXHRZFHOSA-N 2 1 303.450 2.593 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@@H+](Cc2ccccn2)[C@@H]2CCC[NH2+]CC2)O1 ZINC000634687862 430078201 /nfs/dbraw/zinc/07/82/01/430078201.db2.gz BJYIWHWSBQYBIU-NXHRZFHOSA-N 2 1 303.450 2.593 20 0 DFADMP O[C@]1(C[NH2+]C[C@H]2CCCC2(F)F)CC[N@H+](Cc2ccccc2)C1 ZINC000634715620 430087318 /nfs/dbraw/zinc/08/73/18/430087318.db2.gz GVUMFUVQMPUIHL-SJORKVTESA-N 2 1 324.415 2.648 20 0 DFADMP O[C@]1(C[NH2+]C[C@H]2CCCC2(F)F)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715620 430087324 /nfs/dbraw/zinc/08/73/24/430087324.db2.gz GVUMFUVQMPUIHL-SJORKVTESA-N 2 1 324.415 2.648 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580833678 430156357 /nfs/dbraw/zinc/15/63/57/430156357.db2.gz AHLCRZNZNNEUQQ-SFHVURJKSA-N 2 1 304.482 2.830 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000580833678 430156361 /nfs/dbraw/zinc/15/63/61/430156361.db2.gz AHLCRZNZNNEUQQ-SFHVURJKSA-N 2 1 304.482 2.830 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2cccn(C(F)F)c2=O)CC1 ZINC000637889008 430161917 /nfs/dbraw/zinc/16/19/17/430161917.db2.gz MHFMHPBJPKQBGB-UHFFFAOYSA-N 2 1 313.392 2.548 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000581019693 430170323 /nfs/dbraw/zinc/17/03/23/430170323.db2.gz MLMOCFZKAKOHRJ-YJBOKZPZSA-N 2 1 311.429 2.972 20 0 DFADMP CCC[N@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1CCc2ccccc2C1 ZINC000562442568 430132307 /nfs/dbraw/zinc/13/23/07/430132307.db2.gz UKSVWRFINJIJSZ-OALUTQOASA-N 2 1 304.478 2.569 20 0 DFADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)CC)[C@H]1CCc2ccccc2C1 ZINC000562442568 430132310 /nfs/dbraw/zinc/13/23/10/430132310.db2.gz UKSVWRFINJIJSZ-OALUTQOASA-N 2 1 304.478 2.569 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@H+](C)CC)[C@H]1CCc2ccccc2C1 ZINC000562442568 430132314 /nfs/dbraw/zinc/13/23/14/430132314.db2.gz UKSVWRFINJIJSZ-OALUTQOASA-N 2 1 304.478 2.569 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)CC)[C@H]1CCc2ccccc2C1 ZINC000562442568 430132317 /nfs/dbraw/zinc/13/23/17/430132317.db2.gz UKSVWRFINJIJSZ-OALUTQOASA-N 2 1 304.478 2.569 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000637808828 430135129 /nfs/dbraw/zinc/13/51/29/430135129.db2.gz GNRHSXHGNNWFIY-GOSISDBHSA-N 2 1 323.440 2.867 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C(C)(C)CC)CC2)CC1 ZINC000563382757 430184608 /nfs/dbraw/zinc/18/46/08/430184608.db2.gz IEFFUZVTMVNBMI-UHFFFAOYSA-N 2 1 323.525 2.830 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993208 430185029 /nfs/dbraw/zinc/18/50/29/430185029.db2.gz NMCBPMNLMZLVRL-IPJUCJBFSA-N 2 1 305.510 2.715 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330124 277077867 /nfs/dbraw/zinc/07/78/67/277077867.db2.gz QVEDRJBFIALDCC-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330124 277077868 /nfs/dbraw/zinc/07/78/68/277077868.db2.gz QVEDRJBFIALDCC-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330124 277077869 /nfs/dbraw/zinc/07/78/69/277077869.db2.gz QVEDRJBFIALDCC-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CCCCOc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000635000236 430188864 /nfs/dbraw/zinc/18/88/64/430188864.db2.gz JYAGHONMXHIHEG-GOEBONIOSA-N 2 1 306.450 2.901 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC000563403669 430189475 /nfs/dbraw/zinc/18/94/75/430189475.db2.gz MPFMLEVFNWZDIV-INIZCTEOSA-N 2 1 319.493 2.641 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000634998110 430189773 /nfs/dbraw/zinc/18/97/73/430189773.db2.gz AUJBFWUQAYYIDR-GXSJLCMTSA-N 2 1 304.768 2.968 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(Cl)c2)C[C@H]1C[NH3+] ZINC000634998110 430189778 /nfs/dbraw/zinc/18/97/78/430189778.db2.gz AUJBFWUQAYYIDR-GXSJLCMTSA-N 2 1 304.768 2.968 20 0 DFADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1c[nH+]ccc1N ZINC000635002993 430191337 /nfs/dbraw/zinc/19/13/37/430191337.db2.gz DEMCJLXYHVSTGW-RYRKJORJSA-N 2 1 324.472 2.913 20 0 DFADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530331 430192491 /nfs/dbraw/zinc/19/24/91/430192491.db2.gz BUKAMJWGOAEJDW-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP C[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000635005167 430193590 /nfs/dbraw/zinc/19/35/90/430193590.db2.gz RXNQACCTIKFPDT-UMGGQSCQSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000635005167 430193594 /nfs/dbraw/zinc/19/35/94/430193594.db2.gz RXNQACCTIKFPDT-UMGGQSCQSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCC[NH2+]C1 ZINC000635005167 430193597 /nfs/dbraw/zinc/19/35/97/430193597.db2.gz RXNQACCTIKFPDT-UMGGQSCQSA-N 3 1 315.505 2.732 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H]2CCC[C@H]21 ZINC000367601063 277172440 /nfs/dbraw/zinc/17/24/40/277172440.db2.gz MELQDQLTICDHRY-HSALFYBXSA-N 2 1 324.472 2.894 20 0 DFADMP COC1(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCCCC1 ZINC000359741123 277187170 /nfs/dbraw/zinc/18/71/70/277187170.db2.gz GFFWHPKKFVPGOA-CALCHBBNSA-N 2 1 312.498 2.815 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+]([C@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]2C1 ZINC000367327501 277198828 /nfs/dbraw/zinc/19/88/28/277198828.db2.gz QVKXPXKZIOHANS-ZENOOKHLSA-N 2 1 304.409 2.921 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+]([C@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]2C1 ZINC000367327501 277198829 /nfs/dbraw/zinc/19/88/29/277198829.db2.gz QVKXPXKZIOHANS-ZENOOKHLSA-N 2 1 304.409 2.921 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+]([C@H]3CC(C)(C)Oc4cc(F)ccc43)C[C@@H]2C1 ZINC000367327501 277198831 /nfs/dbraw/zinc/19/88/31/277198831.db2.gz QVKXPXKZIOHANS-ZENOOKHLSA-N 2 1 304.409 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000635014138 430197414 /nfs/dbraw/zinc/19/74/14/430197414.db2.gz YHHXHDCESBXJRH-IPMKNSEASA-N 2 1 301.478 2.752 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)[C@@H]1CCCC[NH2+]1 ZINC000635014388 430197607 /nfs/dbraw/zinc/19/76/07/430197607.db2.gz RLGDMYGKGBRXBL-XIRDDKMYSA-N 2 1 310.869 2.926 20 0 DFADMP c1c(C[NH2+]Cc2ccc3cccnc3c2)onc1C1CC[NH2+]CC1 ZINC000635015500 430198288 /nfs/dbraw/zinc/19/82/88/430198288.db2.gz BMVMTMLOLNXAGU-UHFFFAOYSA-N 2 1 322.412 2.980 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000635014137 430198568 /nfs/dbraw/zinc/19/85/68/430198568.db2.gz YHHXHDCESBXJRH-GUDVDZBRSA-N 2 1 301.478 2.752 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)[C@@H]1C ZINC000354164141 277325752 /nfs/dbraw/zinc/32/57/52/277325752.db2.gz OHFWLZWPRIOGDQ-OWCLPIDISA-N 2 1 310.482 2.818 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000638063344 430223494 /nfs/dbraw/zinc/22/34/94/430223494.db2.gz LUAPXMHNSYVCSX-JKSUJKDBSA-N 2 1 317.477 2.533 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)CC1CC[NH+](C)CC1)CC2 ZINC000638028541 430213145 /nfs/dbraw/zinc/21/31/45/430213145.db2.gz GPJKWUPJSOOIQY-KRWDZBQOSA-N 2 1 318.461 2.965 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134961 430247977 /nfs/dbraw/zinc/24/79/77/430247977.db2.gz QTEZSNFSLSWSRN-RHSMWYFYSA-N 2 1 318.461 2.965 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134961 430247982 /nfs/dbraw/zinc/24/79/82/430247982.db2.gz QTEZSNFSLSWSRN-RHSMWYFYSA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134961 430247984 /nfs/dbraw/zinc/24/79/84/430247984.db2.gz QTEZSNFSLSWSRN-RHSMWYFYSA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134961 430247987 /nfs/dbraw/zinc/24/79/87/430247987.db2.gz QTEZSNFSLSWSRN-RHSMWYFYSA-N 2 1 318.461 2.965 20 0 DFADMP Cc1scc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000638138204 430248684 /nfs/dbraw/zinc/24/86/84/430248684.db2.gz XTRCUQUAZQPOFX-KBXCAEBGSA-N 2 1 321.534 2.823 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C ZINC000638173282 430258662 /nfs/dbraw/zinc/25/86/62/430258662.db2.gz VFJPKOAUELXITG-CZUORRHYSA-N 2 1 300.406 2.678 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCCCCC[C@@H]1[NH3+] ZINC000581999745 430258879 /nfs/dbraw/zinc/25/88/79/430258879.db2.gz FVPPPYCRAPPVMX-IKGGRYGDSA-N 2 1 309.498 2.665 20 0 DFADMP Cn1cncc1CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000582010690 430260198 /nfs/dbraw/zinc/26/01/98/430260198.db2.gz ABIVLDZEYURUGC-LJQANCHMSA-N 2 1 312.461 2.954 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000582010690 430260200 /nfs/dbraw/zinc/26/02/00/430260200.db2.gz ABIVLDZEYURUGC-LJQANCHMSA-N 2 1 312.461 2.954 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H]1CCCN(c2ccccc2)C1 ZINC000582010690 430260205 /nfs/dbraw/zinc/26/02/05/430260205.db2.gz ABIVLDZEYURUGC-LJQANCHMSA-N 2 1 312.461 2.954 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176454 430261504 /nfs/dbraw/zinc/26/15/04/430261504.db2.gz DTKQPCGIDTUCIA-GGPKGHCWSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176454 430261506 /nfs/dbraw/zinc/26/15/06/430261506.db2.gz DTKQPCGIDTUCIA-GGPKGHCWSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCN(c4ccccc4)C3)CC[C@@H]21 ZINC000638176454 430261507 /nfs/dbraw/zinc/26/15/07/430261507.db2.gz DTKQPCGIDTUCIA-GGPKGHCWSA-N 2 1 313.489 2.929 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1([NH+](C)C)CCC[C@H](C)C1 ZINC000635407491 430270032 /nfs/dbraw/zinc/27/00/32/430270032.db2.gz ZEMKDXXXUZVATI-MAUKXSAKSA-N 2 1 320.481 2.633 20 0 DFADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000542852049 430230286 /nfs/dbraw/zinc/23/02/86/430230286.db2.gz OSWWUPLURXVNBR-LZQZEXGQSA-N 2 1 302.462 2.922 20 0 DFADMP C[NH+](C)CCCN[C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638289393 430295474 /nfs/dbraw/zinc/29/54/74/430295474.db2.gz HPKMZKLTADPLNU-HKUYNNGSSA-N 2 1 301.478 2.896 20 0 DFADMP CO[C@H](C[NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000638300898 430296759 /nfs/dbraw/zinc/29/67/59/430296759.db2.gz LAOHVWYFXWJSHX-GOSISDBHSA-N 2 1 312.498 2.672 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000582414441 430298044 /nfs/dbraw/zinc/29/80/44/430298044.db2.gz OFROCXQDYWWFHI-IRXDYDNUSA-N 2 1 302.466 2.822 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](CC(C)(C)O)CC2)cc1F ZINC000638307277 430301166 /nfs/dbraw/zinc/30/11/66/430301166.db2.gz IXSWWRTZKSBZPO-CYBMUJFWSA-N 2 1 324.440 2.720 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2ccccc2nc1C ZINC000638335788 430309019 /nfs/dbraw/zinc/30/90/19/430309019.db2.gz SUCOIPJAZJOLLC-ZDUSSCGKSA-N 2 1 309.417 2.869 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2c[nH]c3ncncc23)C1 ZINC000638372681 430320790 /nfs/dbraw/zinc/32/07/90/430320790.db2.gz YGSGSDKFRXVVLU-GASCZTMLSA-N 2 1 315.465 2.757 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000568176969 430325480 /nfs/dbraw/zinc/32/54/80/430325480.db2.gz JTPOYIHPIKVIMV-KZNAEPCWSA-N 2 1 305.466 2.758 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@]1(C)O ZINC000568176969 430325483 /nfs/dbraw/zinc/32/54/83/430325483.db2.gz JTPOYIHPIKVIMV-KZNAEPCWSA-N 2 1 305.466 2.758 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNCCCc2cnn(C)c2)C1 ZINC000638407297 430334339 /nfs/dbraw/zinc/33/43/39/430334339.db2.gz FGGMHYQLCNXGET-HZPDHXFCSA-N 2 1 306.498 2.699 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]CCC[C@H]3CCO3)c2)CCO1 ZINC000638421479 430337431 /nfs/dbraw/zinc/33/74/31/430337431.db2.gz WNFBZIZMHVSTNI-APWZRJJASA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]CCC[C@H]3CCO3)c2)CCO1 ZINC000638421479 430337435 /nfs/dbraw/zinc/33/74/35/430337435.db2.gz WNFBZIZMHVSTNI-APWZRJJASA-N 2 1 318.461 2.566 20 0 DFADMP CO[C@@H](C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000638434117 430341841 /nfs/dbraw/zinc/34/18/41/430341841.db2.gz HSYFANSKPFAYOF-MOPGFXCFSA-N 2 1 320.477 2.668 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3CCC[C@@H]3C[NH3+])c2)C[C@H](C)O1 ZINC000582899180 430345437 /nfs/dbraw/zinc/34/54/37/430345437.db2.gz BCHGIJJYKGBMQZ-LORHWOILSA-N 2 1 317.477 2.835 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCCC[NH3+])cc2)C1 ZINC000568997897 430414168 /nfs/dbraw/zinc/41/41/68/430414168.db2.gz SKAMUUQFIZZBSR-HNNXBMFYSA-N 2 1 303.450 2.986 20 0 DFADMP CCCCCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000546573578 430355162 /nfs/dbraw/zinc/35/51/62/430355162.db2.gz BWUCZRAAAVOKPX-QFBILLFUSA-N 2 1 320.477 2.973 20 0 DFADMP CCCCCOc1ccc([C@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546573578 430355165 /nfs/dbraw/zinc/35/51/65/430355165.db2.gz BWUCZRAAAVOKPX-QFBILLFUSA-N 2 1 320.477 2.973 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000638495021 430359295 /nfs/dbraw/zinc/35/92/95/430359295.db2.gz DAIFBRTYKCUWPP-QLFBSQMISA-N 2 1 303.450 2.914 20 0 DFADMP Fc1ccc2ccc(C[NH2+][C@H]3CCc4[nH+]ccn4C3)nc2c1F ZINC000638496506 430359749 /nfs/dbraw/zinc/35/97/49/430359749.db2.gz SJQLRMVBAXWGMK-ZDUSSCGKSA-N 2 1 314.339 2.814 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOCC3)c2)c2ccccc21 ZINC000568499298 430362651 /nfs/dbraw/zinc/36/26/51/430362651.db2.gz FLFGVQZOIOGFAS-VQTJNVASSA-N 2 1 323.440 2.758 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638720269 430417359 /nfs/dbraw/zinc/41/73/59/430417359.db2.gz HZGOVLGLKNZNRA-QRQLOZEOSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638720269 430417360 /nfs/dbraw/zinc/41/73/60/430417360.db2.gz HZGOVLGLKNZNRA-QRQLOZEOSA-N 2 1 302.462 2.961 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]CC3CCSCC3)C2)nc(C)[nH+]1 ZINC000638535014 430370133 /nfs/dbraw/zinc/37/01/33/430370133.db2.gz ZOZYBVLGVWBWCO-MRXNPFEDSA-N 2 1 320.506 2.795 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)C[N@H+]2CC[C@@H](C)C2)cc1 ZINC000568645830 430379821 /nfs/dbraw/zinc/37/98/21/430379821.db2.gz ADQVHTUPKUAUBA-OAHLLOKOSA-N 2 1 303.450 2.809 20 0 DFADMP CCn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000568761791 430390064 /nfs/dbraw/zinc/39/00/64/430390064.db2.gz IMKWWMXXXJGOBR-HZPDHXFCSA-N 2 1 312.461 2.878 20 0 DFADMP CC(C)(C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)Oc1ccccc1 ZINC000638620513 430391946 /nfs/dbraw/zinc/39/19/46/430391946.db2.gz RWPFNVFCGZQZRX-KRWDZBQOSA-N 2 1 320.477 2.671 20 0 DFADMP C[N@H+](CCCO)C1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641383216 430392395 /nfs/dbraw/zinc/39/23/95/430392395.db2.gz YVZULUHGHVRFHN-UHFFFAOYSA-N 2 1 305.466 2.662 20 0 DFADMP C[N@@H+](CCCO)C1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641383216 430392400 /nfs/dbraw/zinc/39/24/00/430392400.db2.gz YVZULUHGHVRFHN-UHFFFAOYSA-N 2 1 305.466 2.662 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000547429977 430393075 /nfs/dbraw/zinc/39/30/75/430393075.db2.gz SQZLKZOYWLUNGW-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)[NH+]1CCC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000547429977 430393079 /nfs/dbraw/zinc/39/30/79/430393079.db2.gz SQZLKZOYWLUNGW-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547429977 430393082 /nfs/dbraw/zinc/39/30/82/430393082.db2.gz SQZLKZOYWLUNGW-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]CCC[C@H]3CCO3)CCCC2)CC1 ZINC000638636663 430394851 /nfs/dbraw/zinc/39/48/51/430394851.db2.gz GKZYUNSVLQAYGE-KRWDZBQOSA-N 2 1 310.482 2.569 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000547469657 430396758 /nfs/dbraw/zinc/39/67/58/430396758.db2.gz WRIJJBKREYDVNC-OAHLLOKOSA-N 2 1 311.514 2.732 20 0 DFADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000635877909 430401289 /nfs/dbraw/zinc/40/12/89/430401289.db2.gz PMFYZTUYRFWARY-KRWDZBQOSA-N 2 1 310.401 2.670 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccccc1Nc1cc[nH+]cc1 ZINC000635877909 430401290 /nfs/dbraw/zinc/40/12/90/430401290.db2.gz PMFYZTUYRFWARY-KRWDZBQOSA-N 2 1 310.401 2.670 20 0 DFADMP CCc1cc(N(C)CCC[N@H+](C)Cc2ccncc2)nc(C)[nH+]1 ZINC000641646432 430433990 /nfs/dbraw/zinc/43/39/90/430433990.db2.gz IABRRLXTXDKJGU-UHFFFAOYSA-N 2 1 313.449 2.701 20 0 DFADMP CCc1cc(N(C)CCC[N@@H+](C)Cc2ccncc2)nc(C)[nH+]1 ZINC000641646432 430433992 /nfs/dbraw/zinc/43/39/92/430433992.db2.gz IABRRLXTXDKJGU-UHFFFAOYSA-N 2 1 313.449 2.701 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000548060382 430441251 /nfs/dbraw/zinc/44/12/51/430441251.db2.gz WGHYGWIDVNSQDB-NVXWUHKLSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548060382 430441256 /nfs/dbraw/zinc/44/12/56/430441256.db2.gz WGHYGWIDVNSQDB-NVXWUHKLSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548060382 430441262 /nfs/dbraw/zinc/44/12/62/430441262.db2.gz WGHYGWIDVNSQDB-NVXWUHKLSA-N 2 1 309.498 2.582 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000583929357 430442575 /nfs/dbraw/zinc/44/25/75/430442575.db2.gz DITRWVLJUQZFLY-VKJFTORMSA-N 2 1 301.434 2.582 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641707677 430447731 /nfs/dbraw/zinc/44/77/31/430447731.db2.gz OWXVKAKOFGSENX-AWEZNQCLSA-N 2 1 316.449 2.870 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](c2cccnc2)C1 ZINC000569364514 430448416 /nfs/dbraw/zinc/44/84/16/430448416.db2.gz CCTYKMIBDHGEMO-QGZVFWFLSA-N 2 1 319.412 2.960 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048124 430453787 /nfs/dbraw/zinc/45/37/87/430453787.db2.gz DLHTXCJNUFFTTL-WMZOPIPTSA-N 2 1 324.896 2.953 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)C[C@H]2C=CCCC2)CC1 ZINC000548282205 430460211 /nfs/dbraw/zinc/46/02/11/430460211.db2.gz KWKMNRYYJQAKRQ-HNNXBMFYSA-N 2 1 314.433 2.518 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1ccc(F)c2cccnc12 ZINC000641771931 430468145 /nfs/dbraw/zinc/46/81/45/430468145.db2.gz MXCUVWPFRPAJPN-HNNXBMFYSA-N 2 1 319.424 2.556 20 0 DFADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCN1CCC(O)CC1 ZINC000569640780 430472104 /nfs/dbraw/zinc/47/21/04/430472104.db2.gz ABFOQVUICLGSQQ-HNNXBMFYSA-N 2 1 306.450 2.501 20 0 DFADMP C[C@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000584339893 430474887 /nfs/dbraw/zinc/47/48/87/430474887.db2.gz HUQIPISRLOAWMF-OWCLPIDISA-N 2 1 309.498 2.581 20 0 DFADMP CC1(C)[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)C[C@@H]1[NH3+] ZINC000641803538 430476894 /nfs/dbraw/zinc/47/68/94/430476894.db2.gz SQHMPVJLFLCDOZ-QWHCGFSZSA-N 2 1 302.340 2.843 20 0 DFADMP CCc1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000548453271 430477086 /nfs/dbraw/zinc/47/70/86/430477086.db2.gz MOJYRFSQHLSHDP-CABCVRRESA-N 2 1 320.481 2.603 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2Cl)C1=O ZINC000641804671 430478046 /nfs/dbraw/zinc/47/80/46/430478046.db2.gz ZQZGZFXQOBIKID-YUELXQCFSA-N 2 1 321.852 2.551 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000641805165 430478055 /nfs/dbraw/zinc/47/80/55/430478055.db2.gz MOLPBJJBDZYDCX-CKLFPEKLSA-N 2 1 313.804 2.522 20 0 DFADMP CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641806030 430478733 /nfs/dbraw/zinc/47/87/33/430478733.db2.gz QBISGDZRUJLVEE-LSDHHAIUSA-N 2 1 303.450 2.638 20 0 DFADMP CC(C)(C)[C@H](NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1cccs1 ZINC000641804204 430478774 /nfs/dbraw/zinc/47/87/74/430478774.db2.gz JNLCCMYFKWRPJE-GZBFAFLISA-N 2 1 323.506 2.667 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583752551 430426653 /nfs/dbraw/zinc/42/66/53/430426653.db2.gz PMSCOIPBPXAQDF-FGTMMUONSA-N 2 1 314.473 2.933 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583752551 430426657 /nfs/dbraw/zinc/42/66/57/430426657.db2.gz PMSCOIPBPXAQDF-FGTMMUONSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnccn2)C1 ZINC000569195584 430430649 /nfs/dbraw/zinc/43/06/49/430430649.db2.gz LMTMNWAMZYSNBY-MRXNPFEDSA-N 2 1 310.445 2.998 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]Cc2cnccn2)C1 ZINC000569195584 430430653 /nfs/dbraw/zinc/43/06/53/430430653.db2.gz LMTMNWAMZYSNBY-MRXNPFEDSA-N 2 1 310.445 2.998 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C(C)(C)n1cncn1 ZINC000638969776 430483624 /nfs/dbraw/zinc/48/36/24/430483624.db2.gz IOQLTGDTESUQMR-XHSDSOJGSA-N 2 1 319.497 2.644 20 0 DFADMP CCCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)c1ccccc1OC ZINC000570408131 430540348 /nfs/dbraw/zinc/54/03/48/430540348.db2.gz WXOHHYLJAPKTEQ-HOTGVXAUSA-N 2 1 308.466 2.781 20 0 DFADMP CCC[N@H+](C[C@@H](O)CN(C)CC)[C@@H](C)c1ccccc1OC ZINC000570408131 430540349 /nfs/dbraw/zinc/54/03/49/430540349.db2.gz WXOHHYLJAPKTEQ-HOTGVXAUSA-N 2 1 308.466 2.781 20 0 DFADMP CCC[N@@H+](C[C@@H](O)CN(C)CC)[C@@H](C)c1ccccc1OC ZINC000570408131 430540352 /nfs/dbraw/zinc/54/03/52/430540352.db2.gz WXOHHYLJAPKTEQ-HOTGVXAUSA-N 2 1 308.466 2.781 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@H]2CCC3(CCCC3)O2)C1 ZINC000548918372 430511269 /nfs/dbraw/zinc/51/12/69/430511269.db2.gz PRKPXAROWRTJRG-QZTJIDSGSA-N 2 1 324.509 2.911 20 0 DFADMP Cn1cncc1CCC[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000570104542 430513524 /nfs/dbraw/zinc/51/35/24/430513524.db2.gz LJQOKVLOONCMGF-INIZCTEOSA-N 2 1 307.825 2.672 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000570104542 430513528 /nfs/dbraw/zinc/51/35/28/430513528.db2.gz LJQOKVLOONCMGF-INIZCTEOSA-N 2 1 307.825 2.672 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000570104542 430513530 /nfs/dbraw/zinc/51/35/30/430513530.db2.gz LJQOKVLOONCMGF-INIZCTEOSA-N 2 1 307.825 2.672 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000570176977 430521695 /nfs/dbraw/zinc/52/16/95/430521695.db2.gz KHAICYOELRTPLM-AEFFLSMTSA-N 2 1 310.445 2.867 20 0 DFADMP CSC[C@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000570202540 430521732 /nfs/dbraw/zinc/52/17/32/430521732.db2.gz MZVLHTRZYSIQGQ-QZTJIDSGSA-N 2 1 322.518 2.602 20 0 DFADMP CSC[C@@H](O)C[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000570202541 430521912 /nfs/dbraw/zinc/52/19/12/430521912.db2.gz MZVLHTRZYSIQGQ-ROUUACIJSA-N 2 1 322.518 2.602 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](O)Cc2ccc(F)cc2)CC1 ZINC000549405221 430526249 /nfs/dbraw/zinc/52/62/49/430526249.db2.gz AZVBTUSXXDWDPB-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C12CCCC2 ZINC000639107921 430528020 /nfs/dbraw/zinc/52/80/20/430528020.db2.gz USFMVRRRBKLGMI-OWCLPIDISA-N 2 1 303.450 2.773 20 0 DFADMP c1cnn(C2CC([NH2+]C[C@@H]3CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000639117265 430531356 /nfs/dbraw/zinc/53/13/56/430531356.db2.gz FECNKSBBHRLSJH-VIQWUECVSA-N 2 1 310.445 2.698 20 0 DFADMP c1[nH]c2ncncc2c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639117309 430532502 /nfs/dbraw/zinc/53/25/02/430532502.db2.gz GFICHSDXPDVFRK-INIZCTEOSA-N 2 1 321.428 2.521 20 0 DFADMP OC[C@@H](CC(F)F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570331968 430532873 /nfs/dbraw/zinc/53/28/73/430532873.db2.gz WGDSCZLMWLCNCT-JKSUJKDBSA-N 2 1 324.415 2.789 20 0 DFADMP OC[C@@H](CC(F)F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570331968 430532878 /nfs/dbraw/zinc/53/28/78/430532878.db2.gz WGDSCZLMWLCNCT-JKSUJKDBSA-N 2 1 324.415 2.789 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000569737871 430482248 /nfs/dbraw/zinc/48/22/48/430482248.db2.gz DZNWMOHPIRRIQS-RDJZCZTQSA-N 2 1 313.449 2.604 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCOC[C@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551050765 430549205 /nfs/dbraw/zinc/54/92/05/430549205.db2.gz BROPTPLQOGONEP-IPMKNSEASA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOC[C@H]2CCCO2)C[C@@H]1c1ccccc1 ZINC000551050765 430549208 /nfs/dbraw/zinc/54/92/08/430549208.db2.gz BROPTPLQOGONEP-IPMKNSEASA-N 2 1 318.461 2.607 20 0 DFADMP C[NH+](C)C1(C[NH2+]CCC(=O)Nc2ccccc2)CCCCC1 ZINC000570530126 430553128 /nfs/dbraw/zinc/55/31/28/430553128.db2.gz NASLHZRGMHDVHX-UHFFFAOYSA-N 2 1 303.450 2.869 20 0 DFADMP Cn1ccnc1[C@@H](C1CC1)[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176480 430555563 /nfs/dbraw/zinc/55/55/63/430555563.db2.gz HVCGXSNCFMCGBT-DLBZAZTESA-N 2 1 302.466 2.535 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](C(C)C)C3)c1)O[C@@H](C)C2 ZINC000551430646 430556822 /nfs/dbraw/zinc/55/68/22/430556822.db2.gz GJZKTLIXMOIJMN-GJZGRUSLSA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)c1)O[C@@H](C)C2 ZINC000551430646 430556825 /nfs/dbraw/zinc/55/68/25/430556825.db2.gz GJZKTLIXMOIJMN-GJZGRUSLSA-N 2 1 318.461 2.839 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)NC(C)(CC)CC)CC2)CC1 ZINC000570643880 430561593 /nfs/dbraw/zinc/56/15/93/430561593.db2.gz BNGHBISJTGNHBI-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639189235 430564164 /nfs/dbraw/zinc/56/41/64/430564164.db2.gz DXFPIMRENWMYFU-MJGOQNOKSA-N 2 1 310.445 2.910 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639189235 430564167 /nfs/dbraw/zinc/56/41/67/430564167.db2.gz DXFPIMRENWMYFU-MJGOQNOKSA-N 2 1 310.445 2.910 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNCc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000551870365 430567445 /nfs/dbraw/zinc/56/74/45/430567445.db2.gz YMCWERQZJZRCBH-HNNXBMFYSA-N 2 1 316.424 2.831 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000551870365 430567448 /nfs/dbraw/zinc/56/74/48/430567448.db2.gz YMCWERQZJZRCBH-HNNXBMFYSA-N 2 1 316.424 2.831 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000551870365 430567451 /nfs/dbraw/zinc/56/74/51/430567451.db2.gz YMCWERQZJZRCBH-HNNXBMFYSA-N 2 1 316.424 2.831 20 0 DFADMP CC(C)[NH2+]CCC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000570725293 430571953 /nfs/dbraw/zinc/57/19/53/430571953.db2.gz RRUBFCYEJWVCRF-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1ccc2c(C)cc(NCCCC[NH+]3CCOCC3)[nH+]c2c1 ZINC000613515590 430575560 /nfs/dbraw/zinc/57/55/60/430575560.db2.gz SIBWHEPALOFQGL-UHFFFAOYSA-N 2 1 313.445 3.376 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000570812459 430579858 /nfs/dbraw/zinc/57/98/58/430579858.db2.gz AGNSIOKJBFBWNH-LJQANCHMSA-N 2 1 302.462 2.705 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CCNC2=O)CC1)CC(C)C ZINC000570825487 430581824 /nfs/dbraw/zinc/58/18/24/430581824.db2.gz YWUCTWVAQWPHEQ-GOSISDBHSA-N 2 1 323.525 2.593 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCc2c[nH+]cn2C)c(C)c1OC ZINC000552065556 430582770 /nfs/dbraw/zinc/58/27/70/430582770.db2.gz FFFALBIXSLUSKM-ZDUSSCGKSA-N 2 1 317.433 2.509 20 0 DFADMP CCC[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000643349121 430589681 /nfs/dbraw/zinc/58/96/81/430589681.db2.gz LGVKLVVMKXYLQS-IBGZPJMESA-N 2 1 317.477 2.540 20 0 DFADMP COc1cc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(Cl)cc1O ZINC000639257763 430590469 /nfs/dbraw/zinc/59/04/69/430590469.db2.gz RFAVDHADBNJAQL-GFCCVEGCSA-N 2 1 312.841 2.876 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000643057170 430546246 /nfs/dbraw/zinc/54/62/46/430546246.db2.gz MSTBYILWQJBCFP-QGZVFWFLSA-N 2 1 312.413 2.632 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000643057170 430546248 /nfs/dbraw/zinc/54/62/48/430546248.db2.gz MSTBYILWQJBCFP-QGZVFWFLSA-N 2 1 312.413 2.632 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000554727474 430650833 /nfs/dbraw/zinc/65/08/33/430650833.db2.gz DAZFLODWGIGSRG-QLFBSQMISA-N 2 1 303.450 2.948 20 0 DFADMP CCC(CC)[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000571798071 430653645 /nfs/dbraw/zinc/65/36/45/430653645.db2.gz UOLFBRXNEVJFKH-SFHVURJKSA-N 2 1 319.493 2.916 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639508941 430658694 /nfs/dbraw/zinc/65/86/94/430658694.db2.gz UVGITTWPONOREY-SFHVURJKSA-N 3 1 319.493 2.940 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)cc(C)nc2C)C1 ZINC000639508940 430659041 /nfs/dbraw/zinc/65/90/41/430659041.db2.gz UVGITTWPONOREY-GOSISDBHSA-N 3 1 319.493 2.940 20 0 DFADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000643453683 430603147 /nfs/dbraw/zinc/60/31/47/430603147.db2.gz RJZBNOXIWFLRIL-MOPGFXCFSA-N 3 1 301.478 2.801 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000643463496 430603631 /nfs/dbraw/zinc/60/36/31/430603631.db2.gz GXZNIDPTKBDMTC-ZWKOTPCHSA-N 2 1 315.505 2.937 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552920564 430603863 /nfs/dbraw/zinc/60/38/63/430603863.db2.gz ASMHFKQMAMCJHW-DSLXNQLJSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552920564 430603865 /nfs/dbraw/zinc/60/38/65/430603865.db2.gz ASMHFKQMAMCJHW-DSLXNQLJSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1c[nH+]ccc1N ZINC000643462830 430604783 /nfs/dbraw/zinc/60/47/83/430604783.db2.gz MKCQOJVISLCGPX-AAEUAGOBSA-N 2 1 318.371 2.702 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[C@H]([NH3+])c2ccccc21 ZINC000643479194 430606819 /nfs/dbraw/zinc/60/68/19/430606819.db2.gz JERKENOTKFWJFD-WMZOPIPTSA-N 2 1 324.428 2.783 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1C[C@@H]([NH3+])c2ccccc21 ZINC000643479193 430607486 /nfs/dbraw/zinc/60/74/86/430607486.db2.gz JERKENOTKFWJFD-SJLPKXTDSA-N 2 1 324.428 2.783 20 0 DFADMP C[C@@]1(C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)C[C@H]1c1ccccc1 ZINC000639330508 430612336 /nfs/dbraw/zinc/61/23/36/430612336.db2.gz LFHIFRXEPLEQHD-AABGKKOBSA-N 2 1 314.473 2.711 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000643522977 430613349 /nfs/dbraw/zinc/61/33/49/430613349.db2.gz RBOSNZDEGOCNQD-MJGOQNOKSA-N 3 1 315.505 2.814 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000571275574 430616658 /nfs/dbraw/zinc/61/66/58/430616658.db2.gz LNDAGGSMTZBYJJ-NWDGAFQWSA-N 2 1 314.376 2.774 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639345912 430616726 /nfs/dbraw/zinc/61/67/26/430616726.db2.gz CLJPEEFZJXYGJD-ZWKOTPCHSA-N 2 1 301.478 2.834 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000639359402 430619872 /nfs/dbraw/zinc/61/98/72/430619872.db2.gz MGFABKKLWUWVGO-ATZDWAIDSA-N 2 1 302.462 2.769 20 0 DFADMP CC(C)c1cc(N2C[C@H]([NH+]3CCCC3)C[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000553679684 430621944 /nfs/dbraw/zinc/62/19/44/430621944.db2.gz OSOYHBSXJFGSBE-LSDHHAIUSA-N 2 1 317.481 2.729 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](Cc2ccc3c(c2)ncn3C)CC1 ZINC000639378580 430627245 /nfs/dbraw/zinc/62/72/45/430627245.db2.gz JCQNBMSVBAMBJE-UHFFFAOYSA-N 2 1 300.450 2.880 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)cc2O1 ZINC000643773692 430631287 /nfs/dbraw/zinc/63/12/87/430631287.db2.gz OPOBGVUZNAZHKR-LBPRGKRZSA-N 2 1 321.327 2.557 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](C(C)(C)C)C[C@@H]2C)CC1 ZINC000554310930 430632887 /nfs/dbraw/zinc/63/28/87/430632887.db2.gz UPRIWKPFNPLSHP-HOTGVXAUSA-N 2 1 323.525 2.734 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCCCC[NH2+]1)c1ccccc1Cl ZINC000571526535 430633951 /nfs/dbraw/zinc/63/39/51/430633951.db2.gz VMRQKEUFDPRJBJ-JKSUJKDBSA-N 2 1 323.868 2.591 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000571551756 430636375 /nfs/dbraw/zinc/63/63/75/430636375.db2.gz ISYWYXXWKBLHSD-ZIFCJYIRSA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000571551756 430636377 /nfs/dbraw/zinc/63/63/77/430636377.db2.gz ISYWYXXWKBLHSD-ZIFCJYIRSA-N 2 1 302.462 2.758 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@H]1C ZINC000571571378 430638210 /nfs/dbraw/zinc/63/82/10/430638210.db2.gz BJGFUZSIXBIKMA-AOIWGVFYSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000571571378 430638214 /nfs/dbraw/zinc/63/82/14/430638214.db2.gz BJGFUZSIXBIKMA-AOIWGVFYSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000571571378 430638218 /nfs/dbraw/zinc/63/82/18/430638218.db2.gz BJGFUZSIXBIKMA-AOIWGVFYSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000319385458 533690569 /nfs/dbraw/zinc/69/05/69/533690569.db2.gz KJETXUPSDCGFDR-HYVNUMGLSA-N 2 1 301.434 2.620 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H](CCO)c1ccccc1 ZINC000571691237 430645943 /nfs/dbraw/zinc/64/59/43/430645943.db2.gz PGUVMXIMPLGYPC-HXUWFJFHSA-N 2 1 310.441 2.888 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c(C)c1OC ZINC000554713538 430649484 /nfs/dbraw/zinc/64/94/84/430649484.db2.gz FMTDWXSHELBPFL-OAHLLOKOSA-N 2 1 306.450 2.832 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)c(C)c1OC ZINC000554713537 430649557 /nfs/dbraw/zinc/64/95/57/430649557.db2.gz FMTDWXSHELBPFL-HNNXBMFYSA-N 2 1 306.450 2.832 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+][C@@H]1CCc2[nH]cnc2C1 ZINC000572170717 430674432 /nfs/dbraw/zinc/67/44/32/430674432.db2.gz FKDNIBYOELDCDG-CQSZACIVSA-N 2 1 308.385 2.614 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639589035 430677947 /nfs/dbraw/zinc/67/79/47/430677947.db2.gz IKYWQAYSAAJNFV-YJBOKZPZSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000639589045 430678046 /nfs/dbraw/zinc/67/80/46/430678046.db2.gz IRSLIDMAAVUSTD-RWQQGDIJSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@@H]2C)C1 ZINC000639614794 430681797 /nfs/dbraw/zinc/68/17/97/430681797.db2.gz HCHIBZLHZZWUHZ-OWCLPIDISA-N 2 1 323.506 2.630 20 0 DFADMP COc1ccc([C@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000572354903 430682529 /nfs/dbraw/zinc/68/25/29/430682529.db2.gz OWMNDGCPBSCSIL-CBVHJVASSA-N 2 1 318.461 2.629 20 0 DFADMP CCc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000556444616 430685909 /nfs/dbraw/zinc/68/59/09/430685909.db2.gz OTPRKKSHMZCQJD-RHSMWYFYSA-N 2 1 314.433 2.632 20 0 DFADMP CCc1ncc(CN[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)o1 ZINC000556444616 430685910 /nfs/dbraw/zinc/68/59/10/430685910.db2.gz OTPRKKSHMZCQJD-RHSMWYFYSA-N 2 1 314.433 2.632 20 0 DFADMP COc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c(C)c1 ZINC000572396888 430686446 /nfs/dbraw/zinc/68/64/46/430686446.db2.gz XFMZZHBAWVADIG-UHFFFAOYSA-N 2 1 315.417 2.748 20 0 DFADMP C[C@@](O)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000378398157 278116801 /nfs/dbraw/zinc/11/68/01/278116801.db2.gz CFJVXRSABFXJBG-CQSZACIVSA-N 2 1 308.388 2.686 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)CC[NH2+]1 ZINC000556942907 430696510 /nfs/dbraw/zinc/69/65/10/430696510.db2.gz RXCFILWZFGGWQN-IIYDPXPESA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@@H](c3ccc(F)cc3F)C2)CC[NH2+]1 ZINC000556942907 430696512 /nfs/dbraw/zinc/69/65/12/430696512.db2.gz RXCFILWZFGGWQN-IIYDPXPESA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cc(F)cc(F)c1 ZINC000268863408 278343588 /nfs/dbraw/zinc/34/35/88/278343588.db2.gz FBVKUIJGKWZVQN-DYVFJYSZSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@H]1CC[C@H](C)[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000158756430 278381076 /nfs/dbraw/zinc/38/10/76/278381076.db2.gz RTAYCSFJPGMDCC-BQFCYCMXSA-N 2 1 317.477 2.526 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)CCC(C)C)CC2)CC1 ZINC000654470646 430704119 /nfs/dbraw/zinc/70/41/19/430704119.db2.gz NINOEYCARPDMOZ-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000651138130 430715471 /nfs/dbraw/zinc/71/54/71/430715471.db2.gz BNGNQHDLOQSLNC-ZCNNSNEGSA-N 2 1 314.473 2.600 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000651138130 430715474 /nfs/dbraw/zinc/71/54/74/430715474.db2.gz BNGNQHDLOQSLNC-ZCNNSNEGSA-N 2 1 314.473 2.600 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000651138130 430715478 /nfs/dbraw/zinc/71/54/78/430715478.db2.gz BNGNQHDLOQSLNC-ZCNNSNEGSA-N 2 1 314.473 2.600 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@H](C2CC2)[C@@H]1C1CC1 ZINC000651138130 430715484 /nfs/dbraw/zinc/71/54/84/430715484.db2.gz BNGNQHDLOQSLNC-ZCNNSNEGSA-N 2 1 314.473 2.600 20 0 DFADMP Fc1ccc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(Cl)c1 ZINC000657751568 430725785 /nfs/dbraw/zinc/72/57/85/430725785.db2.gz SHOINYOLCNECMI-HNNXBMFYSA-N 2 1 312.816 2.822 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H](C[NH2+][C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000657773380 430732110 /nfs/dbraw/zinc/73/21/10/430732110.db2.gz RDABJMFOUUBHTD-QZTJIDSGSA-N 2 1 300.446 2.667 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000657823824 430745293 /nfs/dbraw/zinc/74/52/93/430745293.db2.gz ONBQGWZTCZVOMG-SFHVURJKSA-N 2 1 300.446 2.941 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000644660091 430783335 /nfs/dbraw/zinc/78/33/35/430783335.db2.gz GSKFACQBJYAJOS-CVEARBPZSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCCC1(F)F ZINC000644660091 430783340 /nfs/dbraw/zinc/78/33/40/430783340.db2.gz GSKFACQBJYAJOS-CVEARBPZSA-N 2 1 312.404 2.504 20 0 DFADMP C[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657836558 430750395 /nfs/dbraw/zinc/75/03/95/430750395.db2.gz TVWIKBYONDLQLI-HNNXBMFYSA-N 2 1 316.449 2.506 20 0 DFADMP CC[C@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(F)c1C ZINC000644569337 430756676 /nfs/dbraw/zinc/75/66/76/430756676.db2.gz IYCWRDQGLWUUOO-OAHLLOKOSA-N 2 1 321.440 2.927 20 0 DFADMP CC(C)CC1(C[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644588225 430759855 /nfs/dbraw/zinc/75/98/55/430759855.db2.gz RFSYPLPGKYQPAO-SFHVURJKSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)CC1(C[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644588225 430759860 /nfs/dbraw/zinc/75/98/60/430759860.db2.gz RFSYPLPGKYQPAO-SFHVURJKSA-N 2 1 304.478 2.895 20 0 DFADMP Cn1ncc2c1CC(C)(C)CN(CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000664871567 430769372 /nfs/dbraw/zinc/76/93/72/430769372.db2.gz BOPVGTPJOXHZJD-INIZCTEOSA-N 2 1 304.482 2.679 20 0 DFADMP Cn1ncc2c1CC(C)(C)C[N@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000664871567 430769378 /nfs/dbraw/zinc/76/93/78/430769378.db2.gz BOPVGTPJOXHZJD-INIZCTEOSA-N 2 1 304.482 2.679 20 0 DFADMP Cn1ncc2c1CC(C)(C)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C2 ZINC000664871567 430769382 /nfs/dbraw/zinc/76/93/82/430769382.db2.gz BOPVGTPJOXHZJD-INIZCTEOSA-N 2 1 304.482 2.679 20 0 DFADMP Cn1ncc2c1CC(C)(C)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C2 ZINC000664871567 430769387 /nfs/dbraw/zinc/76/93/87/430769387.db2.gz BOPVGTPJOXHZJD-INIZCTEOSA-N 2 1 304.482 2.679 20 0 DFADMP Cn1ncc2c1CC(C)(C)C[NH+](CC[C@@H]1CCCC[N@H+]1C)C2 ZINC000664871567 430769391 /nfs/dbraw/zinc/76/93/91/430769391.db2.gz BOPVGTPJOXHZJD-INIZCTEOSA-N 2 1 304.482 2.679 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC12CCC(CC1)C2 ZINC000644609678 430770047 /nfs/dbraw/zinc/77/00/47/430770047.db2.gz JRTIGFUDJOJCRT-AVAKVYKDSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC12CCC(CC1)C2 ZINC000644609678 430770051 /nfs/dbraw/zinc/77/00/51/430770051.db2.gz JRTIGFUDJOJCRT-AVAKVYKDSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cncc(Br)c1 ZINC000657945923 430773005 /nfs/dbraw/zinc/77/30/05/430773005.db2.gz NUMNNZHJVXQHLB-MFKMUULPSA-N 2 1 321.222 2.706 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)C1 ZINC000658134339 430821765 /nfs/dbraw/zinc/82/17/65/430821765.db2.gz AKJPYQBCHXMBSA-AABGKKOBSA-N 2 1 314.473 2.922 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137151 430822334 /nfs/dbraw/zinc/82/23/34/430822334.db2.gz JBPZBOJLFPTPRG-MANSERQUSA-N 2 1 300.446 2.531 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCCC1 ZINC000658139890 430822480 /nfs/dbraw/zinc/82/24/80/430822480.db2.gz NOCGHPKSMMSGQE-KXBFYZLASA-N 2 1 302.462 2.922 20 0 DFADMP C[C@H](CC1CCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658141280 430822890 /nfs/dbraw/zinc/82/28/90/430822890.db2.gz SMBSHPWQXPMMCP-BEFAXECRSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658139292 430823018 /nfs/dbraw/zinc/82/30/18/430823018.db2.gz QMCCFDTWXAFWQY-DNVCBOLYSA-N 2 1 314.429 2.567 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3Cc4ccccc4C3)cc2)C1 ZINC000658147375 430825740 /nfs/dbraw/zinc/82/57/40/430825740.db2.gz ZOZHDLDGNWAOPY-NRFANRHFSA-N 2 1 322.452 2.510 20 0 DFADMP Cc1cccc(CN(C)[C@H]2CC[N@H+](C3CCN(C)CC3)C2)c1F ZINC000648586038 430830328 /nfs/dbraw/zinc/83/03/28/430830328.db2.gz YQBJCUWSHHYOIB-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1cccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1F ZINC000648586038 430830334 /nfs/dbraw/zinc/83/03/34/430830334.db2.gz YQBJCUWSHHYOIB-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1F ZINC000648586038 430830339 /nfs/dbraw/zinc/83/03/39/430830339.db2.gz YQBJCUWSHHYOIB-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000658165171 430832999 /nfs/dbraw/zinc/83/29/99/430832999.db2.gz JCMAAKOYKRYVFC-ZAAXVRCTSA-N 2 1 314.473 2.948 20 0 DFADMP CC(C)C[C@@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658178981 430835332 /nfs/dbraw/zinc/83/53/32/430835332.db2.gz BZGCVAFMKFDBLW-NEWSRXKRSA-N 2 1 304.478 2.894 20 0 DFADMP COC1([C@@H](C)[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCC1 ZINC000658042324 430791613 /nfs/dbraw/zinc/79/16/13/430791613.db2.gz UKLYKMMQWGXWAN-NXHRZFHOSA-N 2 1 302.462 2.879 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CCO1 ZINC000648456328 430793501 /nfs/dbraw/zinc/79/35/01/430793501.db2.gz AASDEODUXMSYDJ-IRXDYDNUSA-N 2 1 324.509 2.957 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@H](C)C1 ZINC000658100932 430810337 /nfs/dbraw/zinc/81/03/37/430810337.db2.gz MCCNYVYNQTWGBY-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@H](C)C1 ZINC000658100932 430810340 /nfs/dbraw/zinc/81/03/40/430810340.db2.gz MCCNYVYNQTWGBY-WBVHZDCISA-N 2 1 302.466 2.502 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+][C@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000658266234 430857132 /nfs/dbraw/zinc/85/71/32/430857132.db2.gz GMSYVRJHVSRYRK-XIRDDKMYSA-N 2 1 302.466 2.650 20 0 DFADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cn1 ZINC000665234794 430863654 /nfs/dbraw/zinc/86/36/54/430863654.db2.gz KDWDHWDMLPVQIU-YNEHKIRRSA-N 2 1 314.355 2.506 20 0 DFADMP C[C@@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723992 430870027 /nfs/dbraw/zinc/87/00/27/430870027.db2.gz LCYMPBNDISHDFH-APWZRJJASA-N 2 1 318.461 2.506 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000648724394 430870202 /nfs/dbraw/zinc/87/02/02/430870202.db2.gz WMUZUWZHYBOVKV-OAHLLOKOSA-N 2 1 320.481 2.728 20 0 DFADMP COCC[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251916 430870840 /nfs/dbraw/zinc/87/08/40/430870840.db2.gz BPKQCLRNZMYSSL-AKHDSKFASA-N 2 1 302.462 2.927 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000648733648 430873485 /nfs/dbraw/zinc/87/34/85/430873485.db2.gz BOWIUWQQLAHHIQ-XHSDSOJGSA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000648733648 430873489 /nfs/dbraw/zinc/87/34/89/430873489.db2.gz BOWIUWQQLAHHIQ-XHSDSOJGSA-N 2 1 320.481 2.776 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277239 430878700 /nfs/dbraw/zinc/87/87/00/430878700.db2.gz XERGCUJGLPMFGV-OTWHNJEPSA-N 3 1 313.489 2.758 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000648752896 430879382 /nfs/dbraw/zinc/87/93/82/430879382.db2.gz RJUWVTYGCAHDSU-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000665273910 430879584 /nfs/dbraw/zinc/87/95/84/430879584.db2.gz GNCYBXRQXVMJIZ-YTQUADARSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000648748716 430880001 /nfs/dbraw/zinc/88/00/01/430880001.db2.gz VFJJCCKZYIZYGM-CRAIPNDOSA-N 2 1 315.461 2.604 20 0 DFADMP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279703 430881087 /nfs/dbraw/zinc/88/10/87/430881087.db2.gz KFYIXOQJMPRULG-LSHSLQSTSA-N 2 1 304.409 2.635 20 0 DFADMP COc1cccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1C ZINC000658346132 430881604 /nfs/dbraw/zinc/88/16/04/430881604.db2.gz CVNRNTYUJBJKOS-SFHVURJKSA-N 2 1 318.461 2.737 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)on1 ZINC000665299302 430889640 /nfs/dbraw/zinc/88/96/40/430889640.db2.gz KDSVRVSFYLUBSA-KGLIPLIRSA-N 2 1 315.417 2.828 20 0 DFADMP CCCN1Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC000648764998 430885274 /nfs/dbraw/zinc/88/52/74/430885274.db2.gz MOXRHTDARMTORF-UKRRQHHQSA-N 2 1 301.434 2.691 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2C1 ZINC000648764998 430885277 /nfs/dbraw/zinc/88/52/77/430885277.db2.gz MOXRHTDARMTORF-UKRRQHHQSA-N 2 1 301.434 2.691 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2C1 ZINC000648764998 430885280 /nfs/dbraw/zinc/88/52/80/430885280.db2.gz MOXRHTDARMTORF-UKRRQHHQSA-N 2 1 301.434 2.691 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2C1 ZINC000648764998 430885283 /nfs/dbraw/zinc/88/52/83/430885283.db2.gz MOXRHTDARMTORF-UKRRQHHQSA-N 2 1 301.434 2.691 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC000648764998 430885287 /nfs/dbraw/zinc/88/52/87/430885287.db2.gz MOXRHTDARMTORF-UKRRQHHQSA-N 2 1 301.434 2.691 20 0 DFADMP CCCC[C@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccccc1 ZINC000665291479 430886143 /nfs/dbraw/zinc/88/61/43/430886143.db2.gz CIBVUJLUIINFHE-HNNXBMFYSA-N 2 1 300.406 2.662 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000648775622 430887446 /nfs/dbraw/zinc/88/74/46/430887446.db2.gz QHJJCZTUUNOEKE-OWCLPIDISA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000648775622 430887448 /nfs/dbraw/zinc/88/74/48/430887448.db2.gz QHJJCZTUUNOEKE-OWCLPIDISA-N 2 1 320.481 2.776 20 0 DFADMP COc1ccc(-c2cc(CN[C@H]3CC[N@@H+](C)[C@@H](C)C3)on2)cc1 ZINC000658188269 430837729 /nfs/dbraw/zinc/83/77/29/430837729.db2.gz PSTRJINQDIGENX-ZFWWWQNUSA-N 2 1 315.417 2.923 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2cnccc2o1 ZINC000651651424 430838560 /nfs/dbraw/zinc/83/85/60/430838560.db2.gz YFJBJWGDPVEQOE-HFTRVMKXSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2cnccc2o1 ZINC000651651424 430838564 /nfs/dbraw/zinc/83/85/64/430838564.db2.gz YFJBJWGDPVEQOE-HFTRVMKXSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@@H](O)CC(C)(C)C2)cc1 ZINC000648794062 430894478 /nfs/dbraw/zinc/89/44/78/430894478.db2.gz LLKMOWMUTYMZJE-QGZVFWFLSA-N 2 1 320.477 2.610 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cccc(-n2cccn2)c1 ZINC000651865854 430896984 /nfs/dbraw/zinc/89/69/84/430896984.db2.gz JVBJPYYQJUMOGR-UHFFFAOYSA-N 2 1 300.450 2.940 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000648801213 430898070 /nfs/dbraw/zinc/89/80/70/430898070.db2.gz LHCFBUKWGBFIMB-HZPDHXFCSA-N 2 1 320.481 2.587 20 0 DFADMP CC[N@H+](CCC[NH2+]Cc1ccc(C(N)=O)cc1)C1CCCCC1 ZINC000651909437 430911718 /nfs/dbraw/zinc/91/17/18/430911718.db2.gz JQCKVAFBCQHNFO-UHFFFAOYSA-N 2 1 317.477 2.920 20 0 DFADMP CC[N@@H+](CCC[NH2+]Cc1ccc(C(N)=O)cc1)C1CCCCC1 ZINC000651909437 430911723 /nfs/dbraw/zinc/91/17/23/430911723.db2.gz JQCKVAFBCQHNFO-UHFFFAOYSA-N 2 1 317.477 2.920 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996326 430915659 /nfs/dbraw/zinc/91/56/59/430915659.db2.gz UBTINKRBSLYPKV-UHFFFAOYSA-N 2 1 303.450 2.863 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCOC(C2CC2)(C2CC2)C1 ZINC000661996326 430915666 /nfs/dbraw/zinc/91/56/66/430915666.db2.gz UBTINKRBSLYPKV-UHFFFAOYSA-N 2 1 303.450 2.863 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000648860072 430917854 /nfs/dbraw/zinc/91/78/54/430917854.db2.gz UNWXIQBQDCMJEV-HZPDHXFCSA-N 2 1 320.481 2.777 20 0 DFADMP CC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000651948346 430922829 /nfs/dbraw/zinc/92/28/29/430922829.db2.gz JNVTXHJKOHWCTO-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP c1cc([C@@H]2C[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)CCO2)ccn1 ZINC000651967426 430927380 /nfs/dbraw/zinc/92/73/80/430927380.db2.gz FSFFMYOOMHJHPM-AEFFLSMTSA-N 2 1 301.434 2.518 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000648923952 430938530 /nfs/dbraw/zinc/93/85/30/430938530.db2.gz ZKMKOBIAEMOQRW-CQSZACIVSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000648932212 430941727 /nfs/dbraw/zinc/94/17/27/430941727.db2.gz LFZQKNHNEJYFMX-HNNXBMFYSA-N 2 1 320.481 2.729 20 0 DFADMP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)CCCCC1 ZINC000655351182 430974025 /nfs/dbraw/zinc/97/40/25/430974025.db2.gz PGRHTBQBMJBMQJ-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP CC[C@H](c1ccc(F)cc1F)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152506 430979287 /nfs/dbraw/zinc/97/92/87/430979287.db2.gz GQUTXIHYGGUQOT-MAUKXSAKSA-N 2 1 324.415 2.947 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662153826 430980100 /nfs/dbraw/zinc/98/01/00/430980100.db2.gz CVFHPZDMVUFYFY-MSOLQXFVSA-N 2 1 306.425 2.808 20 0 DFADMP C[C@@H](CN1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1cccc(Cl)c1 ZINC000662151256 430980922 /nfs/dbraw/zinc/98/09/22/430980922.db2.gz HBXBQQUQBIAEIB-KBXCAEBGSA-N 2 1 322.880 2.975 20 0 DFADMP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000662155470 430982932 /nfs/dbraw/zinc/98/29/32/430982932.db2.gz JIWGZSZQUGTHFP-GOSISDBHSA-N 2 1 322.880 2.804 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](CCCc3ccc(Cl)cc3)CC2)C1 ZINC000662155470 430982935 /nfs/dbraw/zinc/98/29/35/430982935.db2.gz JIWGZSZQUGTHFP-GOSISDBHSA-N 2 1 322.880 2.804 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000652221908 430991918 /nfs/dbraw/zinc/99/19/18/430991918.db2.gz ADFWODPXLLOJQW-AWEZNQCLSA-N 2 1 319.449 2.646 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)OCC(=O)N2 ZINC000652221908 430991921 /nfs/dbraw/zinc/99/19/21/430991921.db2.gz ADFWODPXLLOJQW-AWEZNQCLSA-N 2 1 319.449 2.646 20 0 DFADMP CC[N@@H+](CCCN[C@H](C)c1ccc(=O)[nH]n1)C1CCCCC1 ZINC000652238047 430999104 /nfs/dbraw/zinc/99/91/04/430999104.db2.gz QLVVYYVWDWIHLX-CQSZACIVSA-N 2 1 306.454 2.878 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H](Cc2ccccc2)c2nccn2C)CC[N@H+]1C ZINC000652274852 431007731 /nfs/dbraw/zinc/00/77/31/431007731.db2.gz XJGXTPNYDTULBO-BPQIPLTHSA-N 2 1 312.461 2.776 20 0 DFADMP CCCN(C(=O)CC[NH+](C)C1CCCCC1)[C@@H]1CC[N@@H+](C)C1 ZINC000648997154 430963356 /nfs/dbraw/zinc/96/33/56/430963356.db2.gz KATUJCPKDPLDJU-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCCN(C(=O)CC[N@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C)C1 ZINC000648997154 430963358 /nfs/dbraw/zinc/96/33/58/430963358.db2.gz KATUJCPKDPLDJU-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCCN(C(=O)CC[N@@H+](C)C1CCCCC1)[C@@H]1CC[NH+](C)C1 ZINC000648997154 430963364 /nfs/dbraw/zinc/96/33/64/430963364.db2.gz KATUJCPKDPLDJU-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)c1C ZINC000662256233 431020525 /nfs/dbraw/zinc/02/05/25/431020525.db2.gz JOJUBPZCXDXKNX-WMZOPIPTSA-N 2 1 300.446 2.961 20 0 DFADMP CC[C@@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662266175 431021133 /nfs/dbraw/zinc/02/11/33/431021133.db2.gz YSQCWHMPZRUSES-MOPGFXCFSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662266175 431021139 /nfs/dbraw/zinc/02/11/39/431021139.db2.gz YSQCWHMPZRUSES-MOPGFXCFSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662266175 431021143 /nfs/dbraw/zinc/02/11/43/431021143.db2.gz YSQCWHMPZRUSES-MOPGFXCFSA-N 2 1 313.489 2.781 20 0 DFADMP C[NH+](CCCC[N@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662262892 431021350 /nfs/dbraw/zinc/02/13/50/431021350.db2.gz FBAXBTFRZDGUEO-UHFFFAOYSA-N 2 1 312.548 2.977 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3OC(F)F)C[C@@H]21 ZINC000662264530 431021547 /nfs/dbraw/zinc/02/15/47/431021547.db2.gz DQQMJUBIRGAZDP-DDTOSNHZSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3OC(F)F)C[C@@H]21 ZINC000662264530 431021553 /nfs/dbraw/zinc/02/15/53/431021553.db2.gz DQQMJUBIRGAZDP-DDTOSNHZSA-N 2 1 314.351 2.986 20 0 DFADMP c1ccc(NC[C@@H]2CC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)nc1 ZINC000662266141 431022682 /nfs/dbraw/zinc/02/26/82/431022682.db2.gz XYIXHEBKCHDPBE-INIZCTEOSA-N 3 1 322.456 2.661 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000652352587 431027117 /nfs/dbraw/zinc/02/71/17/431027117.db2.gz BSJOVNGXTWRQFC-LRDDRELGSA-N 2 1 312.816 2.919 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000652348587 431028257 /nfs/dbraw/zinc/02/82/57/431028257.db2.gz JBBXCATUBOVQDF-ITQYTPKQSA-N 2 1 318.461 2.975 20 0 DFADMP COc1cccc2c1CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)C2 ZINC000662278275 431029399 /nfs/dbraw/zinc/02/93/99/431029399.db2.gz DOGJGQGANVZGRK-UHFFFAOYSA-N 2 1 308.425 2.899 20 0 DFADMP c1ccc([C@@H]2CC[C@@H](C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)C2)cc1 ZINC000662277634 431030570 /nfs/dbraw/zinc/03/05/70/431030570.db2.gz RAEYHOFLWFZDPK-MISYRCLQSA-N 2 1 313.489 2.550 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)[C@H]1CC[NH3+] ZINC000652354437 431030860 /nfs/dbraw/zinc/03/08/60/431030860.db2.gz YRDDRJKXJVQBLN-AEFFLSMTSA-N 2 1 306.450 2.531 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H]([NH3+])C[C@H]3C)on2)cc1 ZINC000662282911 431032308 /nfs/dbraw/zinc/03/23/08/431032308.db2.gz DGFOOPVMSALITR-TZMCWYRMSA-N 2 1 301.390 2.662 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H]([NH3+])C[C@H]3C)on2)cc1 ZINC000662282911 431032312 /nfs/dbraw/zinc/03/23/12/431032312.db2.gz DGFOOPVMSALITR-TZMCWYRMSA-N 2 1 301.390 2.662 20 0 DFADMP Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652362862 431032874 /nfs/dbraw/zinc/03/28/74/431032874.db2.gz RKCBCEAYKUTCAX-OTWHNJEPSA-N 2 1 302.462 2.898 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]2[C@H]2CCCOC2)c2c(c1)C[NH2+]CC2 ZINC000662284632 431032869 /nfs/dbraw/zinc/03/28/69/431032869.db2.gz YNPPJHRJBXXPGJ-HKUYNNGSSA-N 2 1 300.446 2.723 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCCC2CCOCC2)C1 ZINC000652363538 431032985 /nfs/dbraw/zinc/03/29/85/431032985.db2.gz HEWXYDHXTYJBSZ-QYZOEREBSA-N 2 1 324.509 2.944 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1csc(N(C)C3CC3)n1)CC[NH2+]CC2 ZINC000662283370 431033134 /nfs/dbraw/zinc/03/31/34/431033134.db2.gz MWXAVJIDIXRMHI-ZDUSSCGKSA-N 2 1 320.506 2.706 20 0 DFADMP FC(F)(F)[C@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280827 431033632 /nfs/dbraw/zinc/03/36/32/431033632.db2.gz GCHXACWCUHRCHL-OLZOCXBDSA-N 2 1 318.383 2.562 20 0 DFADMP CCCCc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662290539 431036467 /nfs/dbraw/zinc/03/64/67/431036467.db2.gz FVOHKLCMWDHHME-HNNXBMFYSA-N 2 1 306.454 2.624 20 0 DFADMP Clc1ccc(N2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)cc1Cl ZINC000662299062 431037512 /nfs/dbraw/zinc/03/75/12/431037512.db2.gz JPSQEAVTFCYGND-LBPRGKRZSA-N 2 1 314.260 2.725 20 0 DFADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295904 431038850 /nfs/dbraw/zinc/03/88/50/431038850.db2.gz IQWYIGPLHSVWEF-DZGCQCFKSA-N 2 1 306.454 2.966 20 0 DFADMP Cc1ccc2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn2c1 ZINC000662295561 431039191 /nfs/dbraw/zinc/03/91/91/431039191.db2.gz VEWJONXAYMXJSO-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000662307564 431042663 /nfs/dbraw/zinc/04/26/63/431042663.db2.gz XKUXCELMKDIIIV-VQTJNVASSA-N 2 1 315.505 2.625 20 0 DFADMP c1ccc(O[C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000662315218 431043814 /nfs/dbraw/zinc/04/38/14/431043814.db2.gz CRHBLRHVLXUAQS-HXUWFJFHSA-N 2 1 308.425 2.986 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]1CCC[NH3+] ZINC000662313954 431044307 /nfs/dbraw/zinc/04/43/07/431044307.db2.gz AJDPUTKEFNLFMI-DNVCBOLYSA-N 3 1 301.478 2.672 20 0 DFADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C[C@H]1CCc2ccccc21 ZINC000662320987 431045574 /nfs/dbraw/zinc/04/55/74/431045574.db2.gz GDDJGOOXRWVESV-GIVPXCGWSA-N 2 1 324.468 2.579 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CCO1 ZINC000662323731 431046178 /nfs/dbraw/zinc/04/61/78/431046178.db2.gz PUPWSUDNCRLYLF-IAGOWNOFSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CCO1 ZINC000662323731 431046185 /nfs/dbraw/zinc/04/61/85/431046185.db2.gz PUPWSUDNCRLYLF-IAGOWNOFSA-N 2 1 310.482 2.521 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662322285 431046652 /nfs/dbraw/zinc/04/66/52/431046652.db2.gz GSDIZAGMIYTXBD-LJQANCHMSA-N 2 1 304.478 2.834 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CCO1 ZINC000662323735 431046725 /nfs/dbraw/zinc/04/67/25/431046725.db2.gz PUPWSUDNCRLYLF-SJORKVTESA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CCO1 ZINC000662323735 431046729 /nfs/dbraw/zinc/04/67/29/431046729.db2.gz PUPWSUDNCRLYLF-SJORKVTESA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CC2CCC(F)(F)CC2)CCO1 ZINC000662325762 431047918 /nfs/dbraw/zinc/04/79/18/431047918.db2.gz JMVILIGVLRRJRC-OAHLLOKOSA-N 2 1 304.425 2.855 20 0 DFADMP COCC[C@@H](c1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326422 431048662 /nfs/dbraw/zinc/04/86/62/431048662.db2.gz ZGIWECFOZXPWGY-OALUTQOASA-N 2 1 320.477 2.807 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2ccc(Cl)cc2)CCO1 ZINC000662326355 431048864 /nfs/dbraw/zinc/04/88/64/431048864.db2.gz SCPGSMVLQCCKQT-KRWDZBQOSA-N 2 1 310.869 2.925 20 0 DFADMP COCC[C@H](c1ccccc1)[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662326423 431049012 /nfs/dbraw/zinc/04/90/12/431049012.db2.gz ZGIWECFOZXPWGY-RBUKOAKNSA-N 2 1 320.477 2.807 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000662387117 431070144 /nfs/dbraw/zinc/07/01/44/431070144.db2.gz BMSBYCHXMWTHIU-YJBOKZPZSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649280907 431056137 /nfs/dbraw/zinc/05/61/37/431056137.db2.gz UBCPNODBSYBIHL-BBRMVZONSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C)C1 ZINC000649293359 431057861 /nfs/dbraw/zinc/05/78/61/431057861.db2.gz OFVZOGGUMXFXJK-XJKCOSOUSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000649293359 431057864 /nfs/dbraw/zinc/05/78/64/431057864.db2.gz OFVZOGGUMXFXJK-XJKCOSOUSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@@H+]1CCCC[C@H]1C ZINC000649293580 431058255 /nfs/dbraw/zinc/05/82/55/431058255.db2.gz YXPMOVNSSSTBDQ-XJKCOSOUSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[N@H+]1CCCC[C@H]1C ZINC000649293580 431058256 /nfs/dbraw/zinc/05/82/56/431058256.db2.gz YXPMOVNSSSTBDQ-XJKCOSOUSA-N 2 1 323.868 2.719 20 0 DFADMP C[N@@H+](CCN1CCC[C@H]1[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000649296960 431060798 /nfs/dbraw/zinc/06/07/98/431060798.db2.gz VIHGIIDKFIERQZ-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](CCN1CCC[C@H]1[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000649296960 431060801 /nfs/dbraw/zinc/06/08/01/431060801.db2.gz VIHGIIDKFIERQZ-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP C[NH+](CCN1CCC[C@H]1[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000649296960 431060805 /nfs/dbraw/zinc/06/08/05/431060805.db2.gz VIHGIIDKFIERQZ-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]2C[NH3+])c1 ZINC000649306648 431063623 /nfs/dbraw/zinc/06/36/23/431063623.db2.gz FORJAQQDUYEFIF-MSOLQXFVSA-N 2 1 317.477 2.518 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000662386460 431068230 /nfs/dbraw/zinc/06/82/30/431068230.db2.gz AJMSONACXSZWDM-CRAIPNDOSA-N 2 1 317.477 2.533 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000662247321 431013319 /nfs/dbraw/zinc/01/33/19/431013319.db2.gz XBWAFFJWHVBAOW-HIFRSBDPSA-N 2 1 315.417 2.909 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000662247321 431013324 /nfs/dbraw/zinc/01/33/24/431013324.db2.gz XBWAFFJWHVBAOW-HIFRSBDPSA-N 2 1 315.417 2.909 20 0 DFADMP C[N@H+](Cc1csc2ccccc12)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662248953 431013543 /nfs/dbraw/zinc/01/35/43/431013543.db2.gz MKWFJZKWZUPOSD-AWEZNQCLSA-N 2 1 302.443 2.854 20 0 DFADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc2C1 ZINC000662255113 431015331 /nfs/dbraw/zinc/01/53/31/431015331.db2.gz WPIHGTXSUADCFR-RBUKOAKNSA-N 2 1 314.473 2.777 20 0 DFADMP C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251162 431015362 /nfs/dbraw/zinc/01/53/62/431015362.db2.gz AGJWYIWVOCKEES-INIZCTEOSA-N 2 1 310.441 2.715 20 0 DFADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc2C1 ZINC000662255114 431016113 /nfs/dbraw/zinc/01/61/13/431016113.db2.gz WPIHGTXSUADCFR-RTBURBONSA-N 2 1 314.473 2.777 20 0 DFADMP CC(C)C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655747216 431113053 /nfs/dbraw/zinc/11/30/53/431113053.db2.gz CDYUZZJOBSYKPL-IPMKNSEASA-N 2 1 324.509 2.813 20 0 DFADMP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655758764 431118669 /nfs/dbraw/zinc/11/86/69/431118669.db2.gz ZTIYZCDAZPPQGU-HKUYNNGSSA-N 2 1 324.509 2.551 20 0 DFADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)[C@@H]1CCC2(CCCCC2)O1 ZINC000655760482 431119467 /nfs/dbraw/zinc/11/94/67/431119467.db2.gz RELUEOYIZDCHJR-MSOLQXFVSA-N 2 1 322.493 2.711 20 0 DFADMP CC(C)[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655757114 431120204 /nfs/dbraw/zinc/12/02/04/431120204.db2.gz BQQRMXXJHALYKO-ZIAGYGMSSA-N 2 1 308.388 2.806 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649341790 431072436 /nfs/dbraw/zinc/07/24/36/431072436.db2.gz XCWORPCQYWKOMW-HZPDHXFCSA-N 2 1 323.868 2.673 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000662589354 431125284 /nfs/dbraw/zinc/12/52/84/431125284.db2.gz BMZUILMLKLTFSM-RDJZCZTQSA-N 2 1 317.477 2.703 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)c1sccc1C[NH+](C)C ZINC000652522269 431079145 /nfs/dbraw/zinc/07/91/45/431079145.db2.gz ATBOOGGWHMWHIK-UHFFFAOYSA-N 2 1 311.495 2.517 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662450612 431085390 /nfs/dbraw/zinc/08/53/90/431085390.db2.gz UBQPXBPCWUJGNL-DAYGRLMNSA-N 2 1 315.461 2.600 20 0 DFADMP C[C@H](CNC(=O)c1cccc2c1C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000662453639 431086143 /nfs/dbraw/zinc/08/61/43/431086143.db2.gz ARIFYOIAVDITRZ-OAHLLOKOSA-N 2 1 323.440 2.540 20 0 DFADMP Clc1cccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655700415 431087468 /nfs/dbraw/zinc/08/74/68/431087468.db2.gz HCBFRXDOYDOWST-INIZCTEOSA-N 2 1 324.852 2.562 20 0 DFADMP Clc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)s1 ZINC000655699822 431087921 /nfs/dbraw/zinc/08/79/21/431087921.db2.gz BUDOFAVIGBMQDD-CYBMUJFWSA-N 2 1 314.882 2.787 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000649413521 431093065 /nfs/dbraw/zinc/09/30/65/431093065.db2.gz CIBAFYHYFJLNCP-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413434 431094514 /nfs/dbraw/zinc/09/45/14/431094514.db2.gz ZPILZAXOPDJGMA-QGZVFWFLSA-N 2 1 304.482 2.862 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1cccs1 ZINC000655718562 431095745 /nfs/dbraw/zinc/09/57/45/431095745.db2.gz BFGFULQECWHVKN-ZBFHGGJFSA-N 2 1 308.491 2.770 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000655718381 431097173 /nfs/dbraw/zinc/09/71/73/431097173.db2.gz MTKHDSGKFMLYRO-XJKSGUPXSA-N 2 1 324.415 2.911 20 0 DFADMP CCO[C@@H](CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1CCCC1 ZINC000655718743 431099170 /nfs/dbraw/zinc/09/91/70/431099170.db2.gz LXZYDHHHWXVATR-OALUTQOASA-N 2 1 324.509 2.815 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000655723088 431100582 /nfs/dbraw/zinc/10/05/82/431100582.db2.gz HPMVTUMFBNTYTP-KRWDZBQOSA-N 2 1 321.428 2.790 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc3n(n2)CCCC3)c1 ZINC000655729051 431103513 /nfs/dbraw/zinc/10/35/13/431103513.db2.gz DHSVTVJOFBTTRM-UHFFFAOYSA-N 2 1 312.461 2.961 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cc3n(n2)CCCC3)c1 ZINC000655729051 431103517 /nfs/dbraw/zinc/10/35/17/431103517.db2.gz DHSVTVJOFBTTRM-UHFFFAOYSA-N 2 1 312.461 2.961 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@@H](C)SC2)C[C@H](C)O1 ZINC000655729141 431103569 /nfs/dbraw/zinc/10/35/69/431103569.db2.gz GQQVRQYPRCYLFF-QKPAOTATSA-N 2 1 300.512 2.750 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000655732414 431104738 /nfs/dbraw/zinc/10/47/38/431104738.db2.gz ATGPNHZSOJKQEY-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000655732414 431104743 /nfs/dbraw/zinc/10/47/43/431104743.db2.gz ATGPNHZSOJKQEY-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645895056 431105655 /nfs/dbraw/zinc/10/56/55/431105655.db2.gz URYPBTCPXLAZNK-IEBWSBKVSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645895056 431105661 /nfs/dbraw/zinc/10/56/61/431105661.db2.gz URYPBTCPXLAZNK-IEBWSBKVSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645895056 431105665 /nfs/dbraw/zinc/10/56/65/431105665.db2.gz URYPBTCPXLAZNK-IEBWSBKVSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645895056 431105668 /nfs/dbraw/zinc/10/56/68/431105668.db2.gz URYPBTCPXLAZNK-IEBWSBKVSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645895056 431105671 /nfs/dbraw/zinc/10/56/71/431105671.db2.gz URYPBTCPXLAZNK-IEBWSBKVSA-N 2 1 317.477 2.652 20 0 DFADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645895057 431105864 /nfs/dbraw/zinc/10/58/64/431105864.db2.gz URYPBTCPXLAZNK-MJGOQNOKSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645895057 431105866 /nfs/dbraw/zinc/10/58/66/431105866.db2.gz URYPBTCPXLAZNK-MJGOQNOKSA-N 2 1 317.477 2.652 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CCC[C@@H]2CCOC2)C1 ZINC000645895057 431105870 /nfs/dbraw/zinc/10/58/70/431105870.db2.gz URYPBTCPXLAZNK-MJGOQNOKSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CCC[C@@H]2CCOC2)C1 ZINC000645895057 431105872 /nfs/dbraw/zinc/10/58/72/431105872.db2.gz URYPBTCPXLAZNK-MJGOQNOKSA-N 2 1 317.477 2.652 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CCC[C@@H]2CCOC2)C1 ZINC000645895057 431105876 /nfs/dbraw/zinc/10/58/76/431105876.db2.gz URYPBTCPXLAZNK-MJGOQNOKSA-N 2 1 317.477 2.652 20 0 DFADMP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655738907 431107255 /nfs/dbraw/zinc/10/72/55/431107255.db2.gz ZZEAJPQYNQAPRK-GUYCJALGSA-N 2 1 321.465 2.628 20 0 DFADMP Cc1noc(C)c1[C@@H](C)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655738908 431107565 /nfs/dbraw/zinc/10/75/65/431107565.db2.gz ZZEAJPQYNQAPRK-SUMWQHHRSA-N 2 1 321.465 2.628 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)c1ccccc1 ZINC000356833570 279043202 /nfs/dbraw/zinc/04/32/02/279043202.db2.gz YGQBJNDKXCDXJA-DOTOQJQBSA-N 2 1 305.466 2.524 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)c1ccccc1 ZINC000356833570 279043204 /nfs/dbraw/zinc/04/32/04/279043204.db2.gz YGQBJNDKXCDXJA-DOTOQJQBSA-N 2 1 305.466 2.524 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)c1ccccc1 ZINC000356833570 279043206 /nfs/dbraw/zinc/04/32/06/279043206.db2.gz YGQBJNDKXCDXJA-DOTOQJQBSA-N 2 1 305.466 2.524 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H](c1ccco1)[NH+]1CCCC1 ZINC000249298955 288103726 /nfs/dbraw/zinc/10/37/26/288103726.db2.gz FSBUCLVCWARCHR-WCXIOVBPSA-N 2 1 305.466 2.735 20 0 DFADMP COCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCCC1 ZINC000655770044 431130740 /nfs/dbraw/zinc/13/07/40/431130740.db2.gz WTPVEWGHGBPSDC-GOSISDBHSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[NH+](C)[C@@H]1c1ccccc1 ZINC000371517493 288104780 /nfs/dbraw/zinc/10/47/80/288104780.db2.gz FDRGTELHYOWOPG-CVYSASLGSA-N 2 1 315.505 2.998 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000371517493 288104783 /nfs/dbraw/zinc/10/47/83/288104783.db2.gz FDRGTELHYOWOPG-CVYSASLGSA-N 2 1 315.505 2.998 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000371517493 288104785 /nfs/dbraw/zinc/10/47/85/288104785.db2.gz FDRGTELHYOWOPG-CVYSASLGSA-N 2 1 315.505 2.998 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCOC2(CCC2)C1 ZINC000655773313 431132943 /nfs/dbraw/zinc/13/29/43/431132943.db2.gz VLPOPUCGFYWOGA-SJLPKXTDSA-N 2 1 322.493 2.569 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000163552250 279138144 /nfs/dbraw/zinc/13/81/44/279138144.db2.gz PSWPVQLRLHCTIF-LPHOPBHVSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)c1 ZINC000163552250 279138145 /nfs/dbraw/zinc/13/81/45/279138145.db2.gz PSWPVQLRLHCTIF-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC(C)C[C@H](CNC1CC[NH+](CCC(F)(F)F)CC1)[NH+](C)C ZINC000361344801 279162841 /nfs/dbraw/zinc/16/28/41/279162841.db2.gz WBVSBKIEQDWALS-OAHLLOKOSA-N 2 1 323.447 2.969 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000309894098 279256258 /nfs/dbraw/zinc/25/62/58/279256258.db2.gz FVDWITMUFAASFT-XGXHKWSGSA-N 3 1 301.478 2.614 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000646071432 431169996 /nfs/dbraw/zinc/16/99/96/431169996.db2.gz HQBHNMSNWYXUNT-CPUCHLNUSA-N 2 1 323.506 2.621 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@H]2CCCN2C)CC1)CC1CC1 ZINC000649573053 431170207 /nfs/dbraw/zinc/17/02/07/431170207.db2.gz RGRLJWACYJDNQK-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@H+](CCC1CCN(C[C@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000649573053 431170211 /nfs/dbraw/zinc/17/02/11/431170211.db2.gz RGRLJWACYJDNQK-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@@H+](CCC1CCN(C[C@H]2CCC[NH+]2C)CC1)CC1CC1 ZINC000649573053 431170217 /nfs/dbraw/zinc/17/02/17/431170217.db2.gz RGRLJWACYJDNQK-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+](CCC1CCN(C[C@H]2CCC[N@@H+]2C)CC1)CC1CC1 ZINC000649573053 431170221 /nfs/dbraw/zinc/17/02/21/431170221.db2.gz RGRLJWACYJDNQK-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+](CCC1CCN(C[C@H]2CCC[N@H+]2C)CC1)CC1CC1 ZINC000649573053 431170226 /nfs/dbraw/zinc/17/02/26/431170226.db2.gz RGRLJWACYJDNQK-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H]1CCC[N@@H+]1C ZINC000649585515 431174778 /nfs/dbraw/zinc/17/47/78/431174778.db2.gz YMLGIIJMSALUNF-ZHALLVOQSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@H]1CCC[N@H+]1C ZINC000649585515 431174783 /nfs/dbraw/zinc/17/47/83/431174783.db2.gz YMLGIIJMSALUNF-ZHALLVOQSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H]1CCC[N@@H+]1C ZINC000649585514 431177190 /nfs/dbraw/zinc/17/71/90/431177190.db2.gz YMLGIIJMSALUNF-LMMKCTJWSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1NC[C@@H]1CCC[N@H+]1C ZINC000649585514 431177196 /nfs/dbraw/zinc/17/71/96/431177196.db2.gz YMLGIIJMSALUNF-LMMKCTJWSA-N 2 1 315.505 2.827 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cc(C)nc(C)n3)C2)c1 ZINC000659906732 431183661 /nfs/dbraw/zinc/18/36/61/431183661.db2.gz OWQKAWSCVYDIPI-MRXNPFEDSA-N 2 1 311.433 2.731 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCC2(CCCC2)O1 ZINC000655853167 431185938 /nfs/dbraw/zinc/18/59/38/431185938.db2.gz STZQCCIUGRDYRA-MSOLQXFVSA-N 2 1 322.493 2.711 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCC2(CCCC2)O1 ZINC000655853168 431186212 /nfs/dbraw/zinc/18/62/12/431186212.db2.gz STZQCCIUGRDYRA-QZTJIDSGSA-N 2 1 322.493 2.711 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc3cccnc31)CCO2 ZINC000646103744 431188256 /nfs/dbraw/zinc/18/82/56/431188256.db2.gz MPLFCVWCCSGKMH-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCC2(CCCC2)O1 ZINC000655853170 431188467 /nfs/dbraw/zinc/18/84/67/431188467.db2.gz STZQCCIUGRDYRA-ZWKOTPCHSA-N 2 1 322.493 2.711 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000659920814 431189198 /nfs/dbraw/zinc/18/91/98/431189198.db2.gz QQYWXRLHXBDBAV-WBVHZDCISA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000659920814 431189209 /nfs/dbraw/zinc/18/92/09/431189209.db2.gz QQYWXRLHXBDBAV-WBVHZDCISA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000659920814 431189212 /nfs/dbraw/zinc/18/92/12/431189212.db2.gz QQYWXRLHXBDBAV-WBVHZDCISA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000659920814 431189219 /nfs/dbraw/zinc/18/92/19/431189219.db2.gz QQYWXRLHXBDBAV-WBVHZDCISA-N 2 1 310.869 2.830 20 0 DFADMP COc1cccc([C@@H](C)[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000646104860 431189403 /nfs/dbraw/zinc/18/94/03/431189403.db2.gz QXIQJACPIIYZEB-OAHLLOKOSA-N 2 1 304.434 2.553 20 0 DFADMP Cc1ccccc1OCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104611 431189918 /nfs/dbraw/zinc/18/99/18/431189918.db2.gz SHCVRHLJJDGDEX-UHFFFAOYSA-N 2 1 318.461 2.561 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CC1CCC(F)(F)CC1)CCO2 ZINC000646106858 431191209 /nfs/dbraw/zinc/19/12/09/431191209.db2.gz WUZUEHPWVGPZPR-UHFFFAOYSA-N 2 1 302.409 2.609 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)C[C@H]3CCC[NH+]3C)C2)s1 ZINC000649603430 431191387 /nfs/dbraw/zinc/19/13/87/431191387.db2.gz MFQPPZYMSSJMJZ-DLBZAZTESA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C[C@H]3CCC[N@@H+]3C)C2)s1 ZINC000649603430 431191391 /nfs/dbraw/zinc/19/13/91/431191391.db2.gz MFQPPZYMSSJMJZ-DLBZAZTESA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](CN(C)C[C@H]3CCC[N@H+]3C)C2)s1 ZINC000649603430 431191397 /nfs/dbraw/zinc/19/13/97/431191397.db2.gz MFQPPZYMSSJMJZ-DLBZAZTESA-N 2 1 321.534 2.904 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H]1CCC[NH+]1C ZINC000649539144 431149012 /nfs/dbraw/zinc/14/90/12/431149012.db2.gz LCOQLXHGVWIZBF-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C[C@@H]1CCC[N@@H+]1C ZINC000649539144 431149020 /nfs/dbraw/zinc/14/90/20/431149020.db2.gz LCOQLXHGVWIZBF-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CCCN1C[C@@H]1CCC[N@H+]1C ZINC000649539144 431149025 /nfs/dbraw/zinc/14/90/25/431149025.db2.gz LCOQLXHGVWIZBF-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP COc1cccc(CN(CC(C)C)C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000659860166 431153152 /nfs/dbraw/zinc/15/31/52/431153152.db2.gz WHJVMSULOSKTDI-GOSISDBHSA-N 2 1 322.493 2.854 20 0 DFADMP COc1cccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000659860166 431153159 /nfs/dbraw/zinc/15/31/59/431153159.db2.gz WHJVMSULOSKTDI-GOSISDBHSA-N 2 1 322.493 2.854 20 0 DFADMP COc1cccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000659860166 431153162 /nfs/dbraw/zinc/15/31/62/431153162.db2.gz WHJVMSULOSKTDI-GOSISDBHSA-N 2 1 322.493 2.854 20 0 DFADMP CCCN(Cc1ccc(OC)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659858123 431153696 /nfs/dbraw/zinc/15/36/96/431153696.db2.gz BVRDINNUCSLWEU-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858123 431153719 /nfs/dbraw/zinc/15/37/19/431153719.db2.gz BVRDINNUCSLWEU-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP CCC[NH+](Cc1ccc(OC)cc1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659858123 431153724 /nfs/dbraw/zinc/15/37/24/431153724.db2.gz BVRDINNUCSLWEU-KRWDZBQOSA-N 2 1 308.466 2.608 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH+]1C ZINC000649547681 431154855 /nfs/dbraw/zinc/15/48/55/431154855.db2.gz ZOVBPKSONBAINS-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C[C@@H]1CCC[N@@H+]1C ZINC000649547681 431154861 /nfs/dbraw/zinc/15/48/61/431154861.db2.gz ZOVBPKSONBAINS-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1CC[NH+](Cc2ccccc2)CCN1C[C@@H]1CCC[N@H+]1C ZINC000649547681 431154868 /nfs/dbraw/zinc/15/48/68/431154868.db2.gz ZOVBPKSONBAINS-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805575 431158621 /nfs/dbraw/zinc/15/86/21/431158621.db2.gz JESCUEJUCNWIDU-FFGOWVMKSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655805575 431158627 /nfs/dbraw/zinc/15/86/27/431158627.db2.gz JESCUEJUCNWIDU-FFGOWVMKSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2([NH3+])CC3(CCC3)C2)C1 ZINC000662681718 431159888 /nfs/dbraw/zinc/15/98/88/431159888.db2.gz CCRBKSPUBGIYQN-IYBDPMFKSA-N 2 1 321.509 2.522 20 0 DFADMP C[N@@H+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@H]1CCC[NH+](C)C1 ZINC000659947261 431203886 /nfs/dbraw/zinc/20/38/86/431203886.db2.gz NHGMXLOWPNGXHS-IRXDYDNUSA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000659947261 431203893 /nfs/dbraw/zinc/20/38/93/431203893.db2.gz NHGMXLOWPNGXHS-IRXDYDNUSA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C[C@@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000659947261 431203896 /nfs/dbraw/zinc/20/38/96/431203896.db2.gz NHGMXLOWPNGXHS-IRXDYDNUSA-N 2 1 323.525 2.545 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CCc3cncs3)C2)c1 ZINC000662828403 431208247 /nfs/dbraw/zinc/20/82/47/431208247.db2.gz RYUUQRYCXUKLNM-AWEZNQCLSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCc3cncs3)C2)c1 ZINC000662828403 431208263 /nfs/dbraw/zinc/20/82/63/431208263.db2.gz RYUUQRYCXUKLNM-AWEZNQCLSA-N 2 1 302.447 2.823 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655907891 431214101 /nfs/dbraw/zinc/21/41/01/431214101.db2.gz PIEQXQZOWFSIAT-IRXDYDNUSA-N 2 1 316.449 2.544 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655910575 431214658 /nfs/dbraw/zinc/21/46/58/431214658.db2.gz YQRHNRKBJCATPR-SJORKVTESA-N 2 1 316.449 2.592 20 0 DFADMP CN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000652990217 431219665 /nfs/dbraw/zinc/21/96/65/431219665.db2.gz KIEFTUYMEGDUPL-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000659986901 431222321 /nfs/dbraw/zinc/22/23/21/431222321.db2.gz DWZJTVNHXSTUGI-INIZCTEOSA-N 2 1 307.401 2.799 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000659986901 431222328 /nfs/dbraw/zinc/22/23/28/431222328.db2.gz DWZJTVNHXSTUGI-INIZCTEOSA-N 2 1 307.401 2.799 20 0 DFADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000662886823 431227497 /nfs/dbraw/zinc/22/74/97/431227497.db2.gz OMMUPEKMICHWLQ-CJNGLKHVSA-N 2 1 323.868 2.576 20 0 DFADMP CCCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@@H+](C)C1 ZINC000646213418 431228827 /nfs/dbraw/zinc/22/88/27/431228827.db2.gz QHNATJOFEIXPKT-QGZVFWFLSA-N 2 1 318.465 2.696 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)Oc2ccccc21 ZINC000666616083 431297556 /nfs/dbraw/zinc/29/75/56/431297556.db2.gz JZPYAKJXYPENNJ-ULQDDVLXSA-N 2 1 317.477 2.594 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000660201441 431316810 /nfs/dbraw/zinc/31/68/10/431316810.db2.gz HLRDIVQLUWEQQK-VQIMIIECSA-N 2 1 319.493 2.639 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H](C)c1cccc(N2CCCC2)c1 ZINC000660201441 431316815 /nfs/dbraw/zinc/31/68/15/431316815.db2.gz HLRDIVQLUWEQQK-VQIMIIECSA-N 2 1 319.493 2.639 20 0 DFADMP CCN1CC[C@H]([NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1=O ZINC000660170078 431300205 /nfs/dbraw/zinc/30/02/05/431300205.db2.gz DJTODOHWSHTPDG-SFHVURJKSA-N 2 1 323.525 2.687 20 0 DFADMP CCN1CC[C@@H]([NH+]2CCC(CC[N@@H+](CC)CC(C)C)CC2)C1=O ZINC000660170077 431301428 /nfs/dbraw/zinc/30/14/28/431301428.db2.gz DJTODOHWSHTPDG-GOSISDBHSA-N 2 1 323.525 2.687 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653200230 431306065 /nfs/dbraw/zinc/30/60/65/431306065.db2.gz ZQPNSWVSYGMMGL-MSOLQXFVSA-N 2 1 321.509 2.678 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000656198226 431306201 /nfs/dbraw/zinc/30/62/01/431306201.db2.gz YMJALGGRGORENW-ZCNNSNEGSA-N 2 1 315.505 2.929 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@H]([NH3+])C1)N1CCc2ccccc2C1 ZINC000656198226 431306204 /nfs/dbraw/zinc/30/62/04/431306204.db2.gz YMJALGGRGORENW-ZCNNSNEGSA-N 2 1 315.505 2.929 20 0 DFADMP CC[N@@H+](CCCNC(=O)CC[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000653200366 431307092 /nfs/dbraw/zinc/30/70/92/431307092.db2.gz BUODPRNAPKSFFY-INIZCTEOSA-N 2 1 309.498 2.537 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH2+][C@H]1C)C1CCCCC1 ZINC000653200762 431307350 /nfs/dbraw/zinc/30/73/50/431307350.db2.gz PBJUMCMHBWQJLH-RDJZCZTQSA-N 2 1 309.498 2.535 20 0 DFADMP C[NH+]1CCC(CNc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656115994 431267590 /nfs/dbraw/zinc/26/75/90/431267590.db2.gz QLXIJGQPCKHZAH-UHFFFAOYSA-N 2 1 317.481 2.857 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](NCc2cc(C3CC3)no2)[C@H](C)C1 ZINC000660304033 431368171 /nfs/dbraw/zinc/36/81/71/431368171.db2.gz BSACWCVVHPVIRE-PBHICJAKSA-N 2 1 321.465 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@H](C)C[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000660248262 431341971 /nfs/dbraw/zinc/34/19/71/431341971.db2.gz NTUKQPTYFTVCAN-IEZWGBDMSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@H](C)C[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)c1 ZINC000660248262 431341981 /nfs/dbraw/zinc/34/19/81/431341981.db2.gz NTUKQPTYFTVCAN-IEZWGBDMSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@H](C)C[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000660248262 431341987 /nfs/dbraw/zinc/34/19/87/431341987.db2.gz NTUKQPTYFTVCAN-IEZWGBDMSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@H](C)C[NH+]2C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000660248262 431341993 /nfs/dbraw/zinc/34/19/93/431341993.db2.gz NTUKQPTYFTVCAN-IEZWGBDMSA-N 2 1 320.477 2.779 20 0 DFADMP CC(C)CNC(=O)CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256001 431345897 /nfs/dbraw/zinc/34/58/97/431345897.db2.gz HNAIASHCISRPFK-IAGOWNOFSA-N 2 1 323.525 2.781 20 0 DFADMP Clc1ccccc1Cn1cc(C[NH2+]C[C@H]2CCC[NH2+]C2)cn1 ZINC000666763513 431348052 /nfs/dbraw/zinc/34/80/52/431348052.db2.gz AHKQRCKMBKODIF-AWEZNQCLSA-N 2 1 318.852 2.674 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000653279907 431350365 /nfs/dbraw/zinc/35/03/65/431350365.db2.gz JNPCOZZONKUKAI-MAUKXSAKSA-N 2 1 311.429 2.972 20 0 DFADMP c1csc(N2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)c1 ZINC000656507824 431415777 /nfs/dbraw/zinc/41/57/77/431415777.db2.gz PUUZSFGWIUHTKS-UHFFFAOYSA-N 2 1 305.491 2.933 20 0 DFADMP Cn1cnc2cc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)ccc21 ZINC000663345358 431374854 /nfs/dbraw/zinc/37/48/54/431374854.db2.gz IYELOVUPNNGWPH-KRWDZBQOSA-N 2 1 312.461 2.785 20 0 DFADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345056 431375437 /nfs/dbraw/zinc/37/54/37/431375437.db2.gz GHFBVZPSAITMDE-KRWDZBQOSA-N 2 1 315.461 2.857 20 0 DFADMP CC(=O)Nc1ccccc1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345056 431375440 /nfs/dbraw/zinc/37/54/40/431375440.db2.gz GHFBVZPSAITMDE-KRWDZBQOSA-N 2 1 315.461 2.857 20 0 DFADMP CC(C)=CCC[N@H+](C)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334544 431384031 /nfs/dbraw/zinc/38/40/31/431384031.db2.gz NMEXJZWEAAXXOB-IBGZPJMESA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)=CCC[N@@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334544 431384039 /nfs/dbraw/zinc/38/40/39/431384039.db2.gz NMEXJZWEAAXXOB-IBGZPJMESA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)=CCC[N@H+](C)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334544 431384044 /nfs/dbraw/zinc/38/40/44/431384044.db2.gz NMEXJZWEAAXXOB-IBGZPJMESA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)=CCC[NH+](C)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334544 431384051 /nfs/dbraw/zinc/38/40/51/431384051.db2.gz NMEXJZWEAAXXOB-IBGZPJMESA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)=CCC[NH+](C)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334544 431384057 /nfs/dbraw/zinc/38/40/57/431384057.db2.gz NMEXJZWEAAXXOB-IBGZPJMESA-N 2 1 302.462 2.912 20 0 DFADMP C[N@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334607 431385755 /nfs/dbraw/zinc/38/57/55/431385755.db2.gz OIIKYOZRMLVIRG-IYWMVGAKSA-N 2 1 314.473 2.601 20 0 DFADMP C[N@@H+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334607 431385760 /nfs/dbraw/zinc/38/57/60/431385760.db2.gz OIIKYOZRMLVIRG-IYWMVGAKSA-N 2 1 314.473 2.601 20 0 DFADMP C[NH+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334607 431385768 /nfs/dbraw/zinc/38/57/68/431385768.db2.gz OIIKYOZRMLVIRG-IYWMVGAKSA-N 2 1 314.473 2.601 20 0 DFADMP C[NH+](C[C@@H]1C[C@H]2C[C@H]2C1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334607 431385772 /nfs/dbraw/zinc/38/57/72/431385772.db2.gz OIIKYOZRMLVIRG-IYWMVGAKSA-N 2 1 314.473 2.601 20 0 DFADMP Clc1ccc(-n2cc(C[NH2+][C@H]3CCC[NH2+]CC3)cn2)cc1 ZINC000666855407 431386528 /nfs/dbraw/zinc/38/65/28/431386528.db2.gz QDTWWQITULWUTB-HNNXBMFYSA-N 2 1 304.825 2.757 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H]1CCC[NH2+]CC1 ZINC000666855434 431387118 /nfs/dbraw/zinc/38/71/18/431387118.db2.gz RHFYQXYDHXHOLI-SFHVURJKSA-N 2 1 303.494 2.876 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855434 431387123 /nfs/dbraw/zinc/38/71/23/431387123.db2.gz RHFYQXYDHXHOLI-SFHVURJKSA-N 3 1 303.494 2.876 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666855434 431387128 /nfs/dbraw/zinc/38/71/28/431387128.db2.gz RHFYQXYDHXHOLI-SFHVURJKSA-N 3 1 303.494 2.876 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000653472567 431392099 /nfs/dbraw/zinc/39/20/99/431392099.db2.gz UPRDAPYYWPMDOB-HUUCEWRRSA-N 2 1 317.481 2.667 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)cc1 ZINC000646987164 431437427 /nfs/dbraw/zinc/43/74/27/431437427.db2.gz IGBWHAABUODAMW-SFHVURJKSA-N 2 1 317.477 2.790 20 0 DFADMP C[NH2+]C[C@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000663510007 431450634 /nfs/dbraw/zinc/45/06/34/431450634.db2.gz CCTLATIMGWYNRE-UWVGGRQHSA-N 2 1 303.219 2.717 20 0 DFADMP CC(C)(C)OCCCC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660477373 431450625 /nfs/dbraw/zinc/45/06/25/431450625.db2.gz GZCGLENAOLQWGC-KRWDZBQOSA-N 2 1 312.498 2.768 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)ccc1O ZINC000656620047 431452524 /nfs/dbraw/zinc/45/25/24/431452524.db2.gz YJIYHMXNPNEAOC-OAHLLOKOSA-N 2 1 315.417 2.682 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)ccc1O ZINC000656620047 431452526 /nfs/dbraw/zinc/45/25/26/431452526.db2.gz YJIYHMXNPNEAOC-OAHLLOKOSA-N 2 1 315.417 2.682 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1cccc(F)c1)C1CCCC1 ZINC000653606527 431456632 /nfs/dbraw/zinc/45/66/32/431456632.db2.gz OXJLPQALBCLWNZ-MSOLQXFVSA-N 2 1 308.441 2.959 20 0 DFADMP CCN(C)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000653606527 431456641 /nfs/dbraw/zinc/45/66/41/431456641.db2.gz OXJLPQALBCLWNZ-MSOLQXFVSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000653606527 431456646 /nfs/dbraw/zinc/45/66/46/431456646.db2.gz OXJLPQALBCLWNZ-MSOLQXFVSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C1CCCC1 ZINC000653606527 431456652 /nfs/dbraw/zinc/45/66/52/431456652.db2.gz OXJLPQALBCLWNZ-MSOLQXFVSA-N 2 1 308.441 2.959 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@H](C)[C@@H]2C)o1 ZINC000650150334 431458456 /nfs/dbraw/zinc/45/84/56/431458456.db2.gz SYMZSZWNUGAIJZ-KFWWJZLASA-N 2 1 321.465 2.675 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000653622857 431465954 /nfs/dbraw/zinc/46/59/54/431465954.db2.gz XULCZTOONLZJPY-NEWSRXKRSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000653622857 431465961 /nfs/dbraw/zinc/46/59/61/431465961.db2.gz XULCZTOONLZJPY-NEWSRXKRSA-N 2 1 320.477 2.587 20 0 DFADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C[C@H]2C1 ZINC000663463650 431428348 /nfs/dbraw/zinc/42/83/48/431428348.db2.gz AQPBKDOSYUZHBZ-GFEQUFNTSA-N 2 1 306.494 2.902 20 0 DFADMP FCCOCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000663463102 431428542 /nfs/dbraw/zinc/42/85/42/431428542.db2.gz WKYKJFXEPVKJAL-CEXWTWQISA-N 2 1 320.452 2.863 20 0 DFADMP Clc1ccccc1Cn1cc(C[NH2+]CCC[NH2+]C2CC2)cn1 ZINC000666989691 431435834 /nfs/dbraw/zinc/43/58/34/431435834.db2.gz XNXFHTBASCMVTO-UHFFFAOYSA-N 2 1 318.852 2.817 20 0 DFADMP COCc1cnc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)s1 ZINC000656784533 431521276 /nfs/dbraw/zinc/52/12/76/431521276.db2.gz BUXNXCUZKAWVIH-CQSZACIVSA-N 2 1 309.479 2.501 20 0 DFADMP Fc1cccn2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]C4)CC3)nc12 ZINC000656787043 431522253 /nfs/dbraw/zinc/52/22/53/431522253.db2.gz RVTOYHRIXOBWNM-OAHLLOKOSA-N 2 1 316.424 2.685 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786229 431523928 /nfs/dbraw/zinc/52/39/28/431523928.db2.gz QDVHTIGHYVCACZ-QGZVFWFLSA-N 2 1 315.461 2.857 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647249316 431528515 /nfs/dbraw/zinc/52/85/15/431528515.db2.gz RHZAIBSCRKLLFU-MSOLQXFVSA-N 2 1 311.429 2.525 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cn1 ZINC000647249316 431528523 /nfs/dbraw/zinc/52/85/23/431528523.db2.gz RHZAIBSCRKLLFU-MSOLQXFVSA-N 2 1 311.429 2.525 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1F)C2 ZINC000660655861 431532903 /nfs/dbraw/zinc/53/29/03/431532903.db2.gz QJYDEJFUFXMIRW-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccccc1F)C2 ZINC000660655861 431532908 /nfs/dbraw/zinc/53/29/08/431532908.db2.gz QJYDEJFUFXMIRW-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccccc1F)C2 ZINC000660655861 431532912 /nfs/dbraw/zinc/53/29/12/431532912.db2.gz QJYDEJFUFXMIRW-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000656695004 431482839 /nfs/dbraw/zinc/48/28/39/431482839.db2.gz YWLHBFZWPIZOFC-HNAYVOBHSA-N 2 1 304.478 2.917 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](C)c1ccc2c(c1)CCCC2 ZINC000656695004 431482845 /nfs/dbraw/zinc/48/28/45/431482845.db2.gz YWLHBFZWPIZOFC-HNAYVOBHSA-N 2 1 304.478 2.917 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc2ccccc21 ZINC000656695133 431483717 /nfs/dbraw/zinc/48/37/17/431483717.db2.gz ATWHSUKCKBUJJY-SFHVURJKSA-N 2 1 300.446 2.973 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)Cc1cccc2ccccc21 ZINC000656695133 431483722 /nfs/dbraw/zinc/48/37/22/431483722.db2.gz ATWHSUKCKBUJJY-SFHVURJKSA-N 2 1 300.446 2.973 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)Cc1cccc2ccccc21 ZINC000656695133 431483726 /nfs/dbraw/zinc/48/37/26/431483726.db2.gz ATWHSUKCKBUJJY-SFHVURJKSA-N 2 1 300.446 2.973 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)Cc1cccc2ccccc21 ZINC000656695133 431483734 /nfs/dbraw/zinc/48/37/34/431483734.db2.gz ATWHSUKCKBUJJY-SFHVURJKSA-N 2 1 300.446 2.973 20 0 DFADMP COc1ccc(C2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC2)cc1 ZINC000656698727 431484761 /nfs/dbraw/zinc/48/47/61/431484761.db2.gz NWYVYKIRXZIEAH-GOSISDBHSA-N 2 1 320.477 2.576 20 0 DFADMP COc1ccc(C2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC000656698727 431484767 /nfs/dbraw/zinc/48/47/67/431484767.db2.gz NWYVYKIRXZIEAH-GOSISDBHSA-N 2 1 320.477 2.576 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000656699826 431485261 /nfs/dbraw/zinc/48/52/61/431485261.db2.gz WBUYKMVIFCSOQD-QRQLOZEOSA-N 2 1 304.478 2.813 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000656699826 431485265 /nfs/dbraw/zinc/48/52/65/431485265.db2.gz WBUYKMVIFCSOQD-QRQLOZEOSA-N 2 1 304.478 2.813 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccccc2)[C@H](C)C1 ZINC000656699826 431485271 /nfs/dbraw/zinc/48/52/71/431485271.db2.gz WBUYKMVIFCSOQD-QRQLOZEOSA-N 2 1 304.478 2.813 20 0 DFADMP CC[C@@H](c1ccccc1OC)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660559253 431491067 /nfs/dbraw/zinc/49/10/67/431491067.db2.gz VLIBUOVYKVBQCL-RDJZCZTQSA-N 2 1 308.466 2.779 20 0 DFADMP Cc1cc(NC(=O)N(C)CC[NH+]2CCCCC2)cn2cc[nH+]c12 ZINC000650230352 431493303 /nfs/dbraw/zinc/49/33/03/431493303.db2.gz FAYUPQITNZENBO-UHFFFAOYSA-N 2 1 315.421 2.592 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]CCCn2cc[nH+]c2C)o1 ZINC000647172649 431493464 /nfs/dbraw/zinc/49/34/64/431493464.db2.gz CAYMQJPVBZPBOV-UHFFFAOYSA-N 2 1 313.405 2.673 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CO[C@H](C)C3)CC2)cs1 ZINC000647182015 431500008 /nfs/dbraw/zinc/50/00/08/431500008.db2.gz BTCLWCRIQUZPHP-HIFRSBDPSA-N 2 1 323.506 2.685 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647189345 431501537 /nfs/dbraw/zinc/50/15/37/431501537.db2.gz PSEPCLNBHZBNIJ-QGZVFWFLSA-N 2 1 300.446 2.546 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647189345 431501543 /nfs/dbraw/zinc/50/15/43/431501543.db2.gz PSEPCLNBHZBNIJ-QGZVFWFLSA-N 2 1 300.446 2.546 20 0 DFADMP OCC1([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647193346 431505990 /nfs/dbraw/zinc/50/59/90/431505990.db2.gz VSCXEIKMLQOTLY-QGZVFWFLSA-N 2 1 300.446 2.688 20 0 DFADMP OCC1([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000647193346 431505994 /nfs/dbraw/zinc/50/59/94/431505994.db2.gz VSCXEIKMLQOTLY-QGZVFWFLSA-N 2 1 300.446 2.688 20 0 DFADMP C[C@@H](CC[NH2+]Cc1ccnn1-c1ccccn1)[NH+]1CCCCC1 ZINC000647201072 431507896 /nfs/dbraw/zinc/50/78/96/431507896.db2.gz ZADHKIRYWHMXDC-INIZCTEOSA-N 2 1 313.449 2.621 20 0 DFADMP Cc1cc(CO)cc(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000663711410 431509296 /nfs/dbraw/zinc/50/92/96/431509296.db2.gz KWWBFEOJXVGONW-QAPCUYQASA-N 2 1 311.429 2.957 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647205668 431511262 /nfs/dbraw/zinc/51/12/62/431511262.db2.gz LPQJSWSJVRWIRS-IPMKNSEASA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647205668 431511268 /nfs/dbraw/zinc/51/12/68/431511268.db2.gz LPQJSWSJVRWIRS-IPMKNSEASA-N 2 1 314.473 2.934 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)c1cnn(C)c1 ZINC000647344008 431558743 /nfs/dbraw/zinc/55/87/43/431558743.db2.gz HNNFDVALCXXIJO-NEWSRXKRSA-N 2 1 312.461 2.806 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660661308 431536580 /nfs/dbraw/zinc/53/65/80/431536580.db2.gz CFKZDEFYOGGNJG-BHIYHBOVSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660661308 431536584 /nfs/dbraw/zinc/53/65/84/431536584.db2.gz CFKZDEFYOGGNJG-BHIYHBOVSA-N 2 1 302.462 2.569 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660661308 431536589 /nfs/dbraw/zinc/53/65/89/431536589.db2.gz CFKZDEFYOGGNJG-BHIYHBOVSA-N 2 1 302.462 2.569 20 0 DFADMP CC(C)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccncc1 ZINC000647288453 431539982 /nfs/dbraw/zinc/53/99/82/431539982.db2.gz DYWGLIDTXBVWNP-OALUTQOASA-N 2 1 319.493 2.995 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665916 431540549 /nfs/dbraw/zinc/54/05/49/431540549.db2.gz ZFEYWPDGCBEDDW-OALUTQOASA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665916 431540556 /nfs/dbraw/zinc/54/05/56/431540556.db2.gz ZFEYWPDGCBEDDW-OALUTQOASA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665916 431540565 /nfs/dbraw/zinc/54/05/65/431540565.db2.gz ZFEYWPDGCBEDDW-OALUTQOASA-N 2 1 302.462 2.662 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)[C@H]2CCC[C@@H]21 ZINC000647338380 431554583 /nfs/dbraw/zinc/55/45/83/431554583.db2.gz LWYQMTUDPTYEGO-ZSXDVEMLSA-N 2 1 315.461 2.764 20 0 DFADMP Cc1ccc(CC[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)cc1 ZINC000660697233 431555688 /nfs/dbraw/zinc/55/56/88/431555688.db2.gz WAKPCJFBJLXQNL-UHFFFAOYSA-N 2 1 304.478 2.610 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3c(cccc3C)n2)[C@@H](C)C1 ZINC000647365001 431565740 /nfs/dbraw/zinc/56/57/40/431565740.db2.gz VVORENISMLHGEZ-YOEHRIQHSA-N 2 1 300.450 2.505 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000355622042 280100193 /nfs/dbraw/zinc/10/01/93/280100193.db2.gz ACZYJJPAONZROD-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C)[NH+]1CCCCC1 ZINC000377662075 280146884 /nfs/dbraw/zinc/14/68/84/280146884.db2.gz LVFPJNBWKOZATK-RCCFBDPRSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)CC[NH2+]C1 ZINC000262064539 280154652 /nfs/dbraw/zinc/15/46/52/280154652.db2.gz RMCNLROOCBRXPG-FZMZJTMJSA-N 2 1 316.371 2.608 20 0 DFADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282509217 280187906 /nfs/dbraw/zinc/18/79/06/280187906.db2.gz YSNZDYZJJPZYDT-GOSISDBHSA-N 2 1 319.493 2.762 20 0 DFADMP OC(C[NH+](CC1CC1)C1CCC1)C[N@@H+](CC1CC1)C1CCC1 ZINC000361589429 280398502 /nfs/dbraw/zinc/39/85/02/280398502.db2.gz VMEFKYIEWZSQLP-UHFFFAOYSA-N 2 1 306.494 2.876 20 0 DFADMP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3CC3CC[NH2+]CC3)O2)cc1 ZINC000650517679 431600785 /nfs/dbraw/zinc/60/07/85/431600785.db2.gz SUEGVXSATWMDOA-FHWLQOOXSA-N 2 1 300.446 2.981 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480696 431601108 /nfs/dbraw/zinc/60/11/08/431601108.db2.gz XLBUACWQWKSIAM-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000647479748 431602247 /nfs/dbraw/zinc/60/22/47/431602247.db2.gz RRERCJADIZCFOB-ZBFHGGJFSA-N 2 1 314.433 2.942 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)o1 ZINC000647479748 431602249 /nfs/dbraw/zinc/60/22/49/431602249.db2.gz RRERCJADIZCFOB-ZBFHGGJFSA-N 2 1 314.433 2.942 20 0 DFADMP CCN(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479760 431602894 /nfs/dbraw/zinc/60/28/94/431602894.db2.gz SYWBMKZPZRNGQJ-SJORKVTESA-N 2 1 302.466 2.502 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479760 431602902 /nfs/dbraw/zinc/60/29/02/431602902.db2.gz SYWBMKZPZRNGQJ-SJORKVTESA-N 2 1 302.466 2.502 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000647498308 431604677 /nfs/dbraw/zinc/60/46/77/431604677.db2.gz DXVKSQGEXVRMPY-RHSMWYFYSA-N 2 1 302.397 2.571 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000647498308 431604691 /nfs/dbraw/zinc/60/46/91/431604691.db2.gz DXVKSQGEXVRMPY-RHSMWYFYSA-N 2 1 302.397 2.571 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)CCC4)C2)C1 ZINC000650706395 431652401 /nfs/dbraw/zinc/65/24/01/431652401.db2.gz JRRLORKYYZXBPK-AQNXPRMDSA-N 2 1 314.473 2.894 20 0 DFADMP COCc1cccc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)c1 ZINC000650707016 431653064 /nfs/dbraw/zinc/65/30/64/431653064.db2.gz WYNVZDMPJBHJBE-IPMKNSEASA-N 2 1 318.461 2.551 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705585 431653506 /nfs/dbraw/zinc/65/35/06/431653506.db2.gz MMLWBKHQFRTXKD-FHWLQOOXSA-N 2 1 302.462 2.967 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650708500 431655942 /nfs/dbraw/zinc/65/59/42/431655942.db2.gz AOISAYFHOLYQOC-YJBOKZPZSA-N 2 1 304.434 2.655 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1CC[NH3+] ZINC000650711025 431657995 /nfs/dbraw/zinc/65/79/95/431657995.db2.gz GMEUWSNIUWVHON-VQIMIIECSA-N 3 1 319.493 2.576 20 0 DFADMP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+]CCC[N@@H+](C)C(C)C)cn1 ZINC000657302060 431658880 /nfs/dbraw/zinc/65/88/80/431658880.db2.gz SRFHQPGENLZOEW-FUHWJXTLSA-N 2 1 322.497 2.691 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)CC[C@H]1[NH3+] ZINC000647497683 431605625 /nfs/dbraw/zinc/60/56/25/431605625.db2.gz RLFYWCPNGWEENC-UKRRQHHQSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)CC[C@H]1[NH3+] ZINC000647497683 431605630 /nfs/dbraw/zinc/60/56/30/431605630.db2.gz RLFYWCPNGWEENC-UKRRQHHQSA-N 2 1 302.422 2.548 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647493753 431605886 /nfs/dbraw/zinc/60/58/86/431605886.db2.gz DKZIZPYTXMZSAB-CQSZACIVSA-N 2 1 324.428 2.875 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647493753 431605891 /nfs/dbraw/zinc/60/58/91/431605891.db2.gz DKZIZPYTXMZSAB-CQSZACIVSA-N 2 1 324.428 2.875 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000647497370 431606818 /nfs/dbraw/zinc/60/68/18/431606818.db2.gz FBKNWJXDLUCKNR-WFASDCNBSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@@H]1[NH3+] ZINC000647497370 431606824 /nfs/dbraw/zinc/60/68/24/431606824.db2.gz FBKNWJXDLUCKNR-WFASDCNBSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000647497369 431606969 /nfs/dbraw/zinc/60/69/69/431606969.db2.gz FBKNWJXDLUCKNR-SWLSCSKDSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000647497369 431606972 /nfs/dbraw/zinc/60/69/72/431606972.db2.gz FBKNWJXDLUCKNR-SWLSCSKDSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccc(C)o2)CC[C@H]1[NH3+] ZINC000647497681 431607702 /nfs/dbraw/zinc/60/77/02/431607702.db2.gz RLFYWCPNGWEENC-DZGCQCFKSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2ccc(C)o2)CC[C@H]1[NH3+] ZINC000647497681 431607710 /nfs/dbraw/zinc/60/77/10/431607710.db2.gz RLFYWCPNGWEENC-DZGCQCFKSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cc(OC)c(OC)cc2SC)CC[C@H]1[NH3+] ZINC000647498908 431608269 /nfs/dbraw/zinc/60/82/69/431608269.db2.gz TZXOCHIQLZNSLO-GXTWGEPZSA-N 2 1 324.490 2.985 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cc(OC)c(OC)cc2SC)CC[C@H]1[NH3+] ZINC000647498908 431608272 /nfs/dbraw/zinc/60/82/72/431608272.db2.gz TZXOCHIQLZNSLO-GXTWGEPZSA-N 2 1 324.490 2.985 20 0 DFADMP C(c1nc2c(s1)CCC2)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542753 431621169 /nfs/dbraw/zinc/62/11/69/431621169.db2.gz BKZNNZLHYLIWPV-KBPBESRZSA-N 2 1 305.491 2.843 20 0 DFADMP FC(F)COc1ccc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000647536935 431623301 /nfs/dbraw/zinc/62/33/01/431623301.db2.gz JBENKGYNQXTMRQ-KRWDZBQOSA-N 2 1 310.388 2.906 20 0 DFADMP FC(F)COc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000647536935 431623306 /nfs/dbraw/zinc/62/33/06/431623306.db2.gz JBENKGYNQXTMRQ-KRWDZBQOSA-N 2 1 310.388 2.906 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544273 431623933 /nfs/dbraw/zinc/62/39/33/431623933.db2.gz YWOOGFMGRBLVND-IRXDYDNUSA-N 2 1 318.461 2.915 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543431 431625147 /nfs/dbraw/zinc/62/51/47/431625147.db2.gz NHBPVISWIHUEEV-HZPDHXFCSA-N 2 1 318.461 2.915 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544270 431625510 /nfs/dbraw/zinc/62/55/10/431625510.db2.gz YWOOGFMGRBLVND-DLBZAZTESA-N 2 1 318.461 2.915 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([C@H]3CCC[NH2+]C3)C1)OCCO2 ZINC000647543497 431625628 /nfs/dbraw/zinc/62/56/28/431625628.db2.gz OKLIQTOAZYFURT-DLBZAZTESA-N 2 1 316.445 2.669 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543799 431626360 /nfs/dbraw/zinc/62/63/60/431626360.db2.gz SFEOHLBTTFVLSD-HZPDHXFCSA-N 2 1 318.509 2.757 20 0 DFADMP CC(C)C[NH+]1CCC([NH2+]Cc2c(C3CCC3)cnn2C)CC1 ZINC000657304143 431661149 /nfs/dbraw/zinc/66/11/49/431661149.db2.gz JIXZVMDDAKIZMT-UHFFFAOYSA-N 2 1 304.482 2.898 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723232 431665157 /nfs/dbraw/zinc/66/51/57/431665157.db2.gz JXZLKMAQSRVQLS-KFWWJZLASA-N 2 1 309.479 2.621 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2csc(C3CC3)n2)C1 ZINC000650722903 431665549 /nfs/dbraw/zinc/66/55/49/431665549.db2.gz DIPOYHOTCCMGLT-KBMXLJTQSA-N 2 1 321.490 2.881 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2csc(C3CC3)n2)C1 ZINC000650722903 431665553 /nfs/dbraw/zinc/66/55/53/431665553.db2.gz DIPOYHOTCCMGLT-KBMXLJTQSA-N 2 1 321.490 2.881 20 0 DFADMP CCOc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000650722193 431666517 /nfs/dbraw/zinc/66/65/17/431666517.db2.gz MYHYZXSPCDOUNL-UHOSZYNNSA-N 2 1 318.461 2.946 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1F ZINC000650722812 431666705 /nfs/dbraw/zinc/66/67/05/431666705.db2.gz BSNNXWFBGPXBSL-NXHRZFHOSA-N 2 1 306.425 2.995 20 0 DFADMP COc1c(C)nc(C2CC2)nc1NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000664138895 431667935 /nfs/dbraw/zinc/66/79/35/431667935.db2.gz LSLJGVFCRDIIBF-CYBMUJFWSA-N 2 1 304.438 2.956 20 0 DFADMP Cc1cc(NC[C@@H]2CC[N@H+]2C(C)(C)C)nc(-c2ccncc2)n1 ZINC000664138079 431668058 /nfs/dbraw/zinc/66/80/58/431668058.db2.gz HOQYKOKMHXFOIC-HNNXBMFYSA-N 2 1 311.433 2.554 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2cc3ccc(C)cc3[nH]2)CC1 ZINC000657331164 431679456 /nfs/dbraw/zinc/67/94/56/431679456.db2.gz QNAGBVKXACJLFO-UHFFFAOYSA-N 2 1 301.434 2.677 20 0 DFADMP c1nn2c(c1CNC[C@@H]1CCC[N@@H+](Cc3ccccc3)C1)CCC2 ZINC000657334491 431682533 /nfs/dbraw/zinc/68/25/33/431682533.db2.gz BUCXBRFZZHQBOF-SFHVURJKSA-N 2 1 324.472 2.831 20 0 DFADMP c1nn2c(c1C[NH2+]C[C@@H]1CCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657334491 431682541 /nfs/dbraw/zinc/68/25/41/431682541.db2.gz BUCXBRFZZHQBOF-SFHVURJKSA-N 2 1 324.472 2.831 20 0 DFADMP Fc1ccc(OC(F)F)c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000657340819 431686657 /nfs/dbraw/zinc/68/66/57/431686657.db2.gz ZSCCIUHADGHLKR-LBPRGKRZSA-N 2 1 311.307 2.728 20 0 DFADMP Fc1cccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1OC(F)F ZINC000657340636 431687129 /nfs/dbraw/zinc/68/71/29/431687129.db2.gz SLBIDVKDEYOPPQ-LLVKDONJSA-N 2 1 311.307 2.728 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N1CCCC1 ZINC000647788620 431687772 /nfs/dbraw/zinc/68/77/72/431687772.db2.gz NINXAKLVXNUSHX-HCXYKTFWSA-N 2 1 307.526 2.865 20 0 DFADMP CCn1cc([C@@H]2OCCC[C@H]2C[NH2+][C@@H](C)C[NH+](CC)CC)cn1 ZINC000657346514 431689381 /nfs/dbraw/zinc/68/93/81/431689381.db2.gz FBQDBLJDHLHMOE-XYJFISCASA-N 2 1 322.497 2.691 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657346781 431690155 /nfs/dbraw/zinc/69/01/55/431690155.db2.gz ILYHJGFAMHPYIF-CYBMUJFWSA-N 2 1 301.438 2.618 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH2+]C1CCCCCC1 ZINC000647838026 431703691 /nfs/dbraw/zinc/70/36/91/431703691.db2.gz HMRCOUOQSLPUHE-OAHLLOKOSA-N 2 1 320.481 2.825 20 0 DFADMP C[C@H](CCNCc1cnn2c1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000657382622 431713828 /nfs/dbraw/zinc/71/38/28/431713828.db2.gz HCZHZUZUILGPNZ-MRXNPFEDSA-N 2 1 312.461 2.830 20 0 DFADMP C[C@H](CC[NH2+]Cc1cnn2c1CCC2)[N@H+](C)Cc1ccccc1 ZINC000657382622 431713833 /nfs/dbraw/zinc/71/38/33/431713833.db2.gz HCZHZUZUILGPNZ-MRXNPFEDSA-N 2 1 312.461 2.830 20 0 DFADMP C[C@H](CC[NH2+]Cc1cnn2c1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000657382622 431713839 /nfs/dbraw/zinc/71/38/39/431713839.db2.gz HCZHZUZUILGPNZ-MRXNPFEDSA-N 2 1 312.461 2.830 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000657309696 431663619 /nfs/dbraw/zinc/66/36/19/431663619.db2.gz QMLZFIVTOKTIHR-MOPGFXCFSA-N 2 1 302.462 2.851 20 0 DFADMP CC[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000647936800 431735195 /nfs/dbraw/zinc/73/51/95/431735195.db2.gz LPMNKLMGLUOXEE-CSKOPFHVSA-N 2 1 321.509 2.615 20 0 DFADMP CC[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC[C@@H]1[NH3+] ZINC000647936800 431735201 /nfs/dbraw/zinc/73/52/01/431735201.db2.gz LPMNKLMGLUOXEE-CSKOPFHVSA-N 2 1 321.509 2.615 20 0 DFADMP Cc1[nH+]cc(CNCc2nc3cc(Cl)ccc3n2C)n1C ZINC000657440278 431752544 /nfs/dbraw/zinc/75/25/44/431752544.db2.gz QIPNMXOPARFCIN-UHFFFAOYSA-N 2 1 303.797 2.558 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966570 431753615 /nfs/dbraw/zinc/75/36/15/431753615.db2.gz ZJKBHSOPIRPCLN-SJORKVTESA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966570 431753620 /nfs/dbraw/zinc/75/36/20/431753620.db2.gz ZJKBHSOPIRPCLN-SJORKVTESA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966570 431753627 /nfs/dbraw/zinc/75/36/27/431753627.db2.gz ZJKBHSOPIRPCLN-SJORKVTESA-N 2 1 323.525 2.545 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C1 ZINC000647964463 431755138 /nfs/dbraw/zinc/75/51/38/431755138.db2.gz LNFBKQVMPVYPAY-KSZLIROESA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000647964463 431755140 /nfs/dbraw/zinc/75/51/40/431755140.db2.gz LNFBKQVMPVYPAY-KSZLIROESA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C1 ZINC000647964463 431755144 /nfs/dbraw/zinc/75/51/44/431755144.db2.gz LNFBKQVMPVYPAY-KSZLIROESA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975188 431761188 /nfs/dbraw/zinc/76/11/88/431761188.db2.gz PCHPANYCNQDHKK-IRXDYDNUSA-N 2 1 315.461 2.645 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977760 431763391 /nfs/dbraw/zinc/76/33/91/431763391.db2.gz HEFMNTLQGVHNRJ-JKSUJKDBSA-N 2 1 318.465 2.939 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977760 431763396 /nfs/dbraw/zinc/76/33/96/431763396.db2.gz HEFMNTLQGVHNRJ-JKSUJKDBSA-N 2 1 318.465 2.939 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+](C)CCCC2CC[NH2+]CC2)c1C ZINC000647872200 431714077 /nfs/dbraw/zinc/71/40/77/431714077.db2.gz GEVDDAWDPDYSNQ-UHFFFAOYSA-N 2 1 317.477 2.954 20 0 DFADMP COc1cccc2c(NCC[N@H+](C)CCC[NH+](C)C)ccnc12 ZINC000664247759 431716451 /nfs/dbraw/zinc/71/64/51/431716451.db2.gz GSFXTDXXSHDRCO-UHFFFAOYSA-N 2 1 316.449 2.539 20 0 DFADMP COc1cccc2c(NCC[N@@H+](C)CCC[NH+](C)C)ccnc12 ZINC000664247759 431716455 /nfs/dbraw/zinc/71/64/55/431716455.db2.gz GSFXTDXXSHDRCO-UHFFFAOYSA-N 2 1 316.449 2.539 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883382 431716887 /nfs/dbraw/zinc/71/68/87/431716887.db2.gz MUFCMGWAATWTLY-FUHWJXTLSA-N 2 1 323.525 2.783 20 0 DFADMP Cc1ccc(C(=O)C2CC[NH+](C[C@H]3CC[NH2+]C3)CC2)c(C)c1 ZINC000647879878 431716955 /nfs/dbraw/zinc/71/69/55/431716955.db2.gz SSMDXLVIUJTFGR-INIZCTEOSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657386080 431718827 /nfs/dbraw/zinc/71/88/27/431718827.db2.gz AMTFIDUXTRFWAX-LPHOPBHVSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657386080 431718834 /nfs/dbraw/zinc/71/88/34/431718834.db2.gz AMTFIDUXTRFWAX-LPHOPBHVSA-N 2 1 324.472 2.830 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647904188 431723697 /nfs/dbraw/zinc/72/36/97/431723697.db2.gz YDXMAJYXNCZOCO-FUHWJXTLSA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647904188 431723701 /nfs/dbraw/zinc/72/37/01/431723701.db2.gz YDXMAJYXNCZOCO-FUHWJXTLSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000657560058 431807282 /nfs/dbraw/zinc/80/72/82/431807282.db2.gz SDYXCBAAEMYBPV-ATZDWAIDSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](CO)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000657560058 431807284 /nfs/dbraw/zinc/80/72/84/431807284.db2.gz SDYXCBAAEMYBPV-ATZDWAIDSA-N 2 1 302.462 2.790 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3c(c1)CCCC3)CCO2 ZINC000648072028 431807408 /nfs/dbraw/zinc/80/74/08/431807408.db2.gz HPPLBRVHBMXPOT-UHFFFAOYSA-N 2 1 314.473 2.862 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccnn1CC(C)C ZINC000648012180 431778360 /nfs/dbraw/zinc/77/83/60/431778360.db2.gz SBPAAEJPRPWNSB-INIZCTEOSA-N 2 1 301.438 2.709 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccnn1CC(C)C ZINC000648012180 431778364 /nfs/dbraw/zinc/77/83/64/431778364.db2.gz SBPAAEJPRPWNSB-INIZCTEOSA-N 2 1 301.438 2.709 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CS1 ZINC000657598013 431820084 /nfs/dbraw/zinc/82/00/84/431820084.db2.gz WYSAXGJHFAYVSS-FHLIZLRMSA-N 2 1 320.502 2.627 20 0 DFADMP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)C1 ZINC000657595215 431821217 /nfs/dbraw/zinc/82/12/17/431821217.db2.gz NEXYQTJSJOOWEM-HNNXBMFYSA-N 2 1 320.820 2.789 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)o3)cc2)C1 ZINC000657595215 431821220 /nfs/dbraw/zinc/82/12/20/431821220.db2.gz NEXYQTJSJOOWEM-HNNXBMFYSA-N 2 1 320.820 2.789 20 0 DFADMP CC1CCC([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000657593687 431821795 /nfs/dbraw/zinc/82/17/95/431821795.db2.gz BJFNZFFZURUGHN-PPSBMQLTSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1(CO)CC1 ZINC000657608064 431823376 /nfs/dbraw/zinc/82/33/76/431823376.db2.gz PKOMBYKKGNJXAB-FUHWJXTLSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1(CO)CC1 ZINC000657608064 431823380 /nfs/dbraw/zinc/82/33/80/431823380.db2.gz PKOMBYKKGNJXAB-FUHWJXTLSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)C1(CO)CC1 ZINC000657608116 431824505 /nfs/dbraw/zinc/82/45/05/431824505.db2.gz QPNFVDQXZJJGOD-NUJGCVRESA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C1(CO)CC1 ZINC000657608116 431824508 /nfs/dbraw/zinc/82/45/08/431824508.db2.gz QPNFVDQXZJJGOD-NUJGCVRESA-N 2 1 302.462 2.790 20 0 DFADMP FC1(F)C[C@@H]1OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000657619153 431826436 /nfs/dbraw/zinc/82/64/36/431826436.db2.gz SOJIJWJHAQKRNC-INIZCTEOSA-N 2 1 310.388 2.665 20 0 DFADMP C[C@H](COc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657629091 431828746 /nfs/dbraw/zinc/82/87/46/431828746.db2.gz ZTOHCZUSFCHDIV-RDBSUJKOSA-N 2 1 310.388 2.949 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]CCc1cn(C)c2ccccc12 ZINC000657662293 431833457 /nfs/dbraw/zinc/83/34/57/431833457.db2.gz ZOOMZNVIXJKLQU-UHFFFAOYSA-N 2 1 308.429 2.972 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(-c2ccnn2C)c1 ZINC000366980675 280833470 /nfs/dbraw/zinc/83/34/70/280833470.db2.gz HYRVITLGIVUVFT-INIZCTEOSA-N 2 1 321.428 2.697 20 0 DFADMP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262049931 280935553 /nfs/dbraw/zinc/93/55/53/280935553.db2.gz ZOJSZTQFNOTVNI-RCCFBDPRSA-N 2 1 320.502 2.834 20 0 DFADMP Cc1ccc2c(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)cc(=O)oc2c1 ZINC000261910892 281046812 /nfs/dbraw/zinc/04/68/12/281046812.db2.gz QFLJIFQMOPOSLP-RRQGHBQHSA-N 2 1 312.413 2.661 20 0 DFADMP Cc1ccccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000362641113 281342237 /nfs/dbraw/zinc/34/22/37/281342237.db2.gz OLBOFYNWEJAJSD-QGZVFWFLSA-N 2 1 301.478 2.595 20 0 DFADMP CC[C@H]1C[C@H](C[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000355681683 288351465 /nfs/dbraw/zinc/35/14/65/288351465.db2.gz JQAGWXCHGHOLNC-MSOLQXFVSA-N 2 1 324.509 2.816 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000357151189 282011516 /nfs/dbraw/zinc/01/15/16/282011516.db2.gz SLUGXNCEPBAIHU-JKSUJKDBSA-N 2 1 311.514 2.637 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[C@H]3OCC[N@H+](C)[C@@H]3C2)c1C ZINC000284936683 282074271 /nfs/dbraw/zinc/07/42/71/282074271.db2.gz JEWQZKXKTKAPFU-QZTJIDSGSA-N 2 1 311.429 2.761 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000262107657 289164167 /nfs/dbraw/zinc/16/41/67/289164167.db2.gz WEIMWFLUMREVIF-CRAIPNDOSA-N 2 1 302.418 2.594 20 0 DFADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000357812964 289348852 /nfs/dbraw/zinc/34/88/52/289348852.db2.gz VEBSDJSVIWGFGW-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@@H]2CCC[C@@H]21 ZINC000353635277 290224621 /nfs/dbraw/zinc/22/46/21/290224621.db2.gz ZJMLAYUHIPFFIA-QZWWFDLISA-N 2 1 324.534 2.894 20 0 DFADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(C)OCCCO2)CC1 ZINC000366772691 290401273 /nfs/dbraw/zinc/40/12/73/290401273.db2.gz LEFJIADSTAQIPL-RDJZCZTQSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H]1C[N@H+](CC[C@H]2CCCC[NH+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973979 297009811 /nfs/dbraw/zinc/00/98/11/297009811.db2.gz CNCVYPUKMCFLGX-BRSBDYLESA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@H]2CCCC[NH+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973979 297009813 /nfs/dbraw/zinc/00/98/13/297009813.db2.gz CNCVYPUKMCFLGX-BRSBDYLESA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@@H+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973979 297009815 /nfs/dbraw/zinc/00/98/15/297009815.db2.gz CNCVYPUKMCFLGX-BRSBDYLESA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[NH+](CC[C@H]2CCCC[N@H+]2C)C[C@]2(CCO[C@H](C)C2)O1 ZINC000373973979 297009817 /nfs/dbraw/zinc/00/98/17/297009817.db2.gz CNCVYPUKMCFLGX-BRSBDYLESA-N 2 1 310.482 2.519 20 0 DFADMP CN(Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000437594363 297065617 /nfs/dbraw/zinc/06/56/17/297065617.db2.gz WDXLBIADFJJNTN-CYBMUJFWSA-N 2 1 304.463 2.912 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CCC[NH+](C)C1 ZINC000437594363 297065619 /nfs/dbraw/zinc/06/56/19/297065619.db2.gz WDXLBIADFJJNTN-CYBMUJFWSA-N 2 1 304.463 2.912 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)C[C@@H]1CCC[NH+](C)C1 ZINC000437594363 297065620 /nfs/dbraw/zinc/06/56/20/297065620.db2.gz WDXLBIADFJJNTN-CYBMUJFWSA-N 2 1 304.463 2.912 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438000902 297076830 /nfs/dbraw/zinc/07/68/30/297076830.db2.gz QOQVDEDHSONNHA-HKUYNNGSSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](CC[C@H]2CCOC2)CC1 ZINC000438000902 297076831 /nfs/dbraw/zinc/07/68/31/297076831.db2.gz QOQVDEDHSONNHA-HKUYNNGSSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000438000902 297076833 /nfs/dbraw/zinc/07/68/33/297076833.db2.gz QOQVDEDHSONNHA-HKUYNNGSSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)CC1 ZINC000438000902 297076836 /nfs/dbraw/zinc/07/68/36/297076836.db2.gz QOQVDEDHSONNHA-HKUYNNGSSA-N 2 1 317.477 2.795 20 0 DFADMP COc1ccc([C@H]2CCC[N@@H+]2C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929066 295249454 /nfs/dbraw/zinc/24/94/54/295249454.db2.gz CNGRGHGJPYGAGJ-SJLPKXTDSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)c(OC)c1 ZINC000261929066 295249456 /nfs/dbraw/zinc/24/94/56/295249456.db2.gz CNGRGHGJPYGAGJ-SJLPKXTDSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CCCO2 ZINC000361763355 295275456 /nfs/dbraw/zinc/27/54/56/295275456.db2.gz HRBRYWVLFFWJTL-CKEIUWERSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CCCO2 ZINC000361763355 295275458 /nfs/dbraw/zinc/27/54/58/295275458.db2.gz HRBRYWVLFFWJTL-CKEIUWERSA-N 2 1 304.434 2.981 20 0 DFADMP CC[N@H+]1CC[C@H](NCc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155274532 295316070 /nfs/dbraw/zinc/31/60/70/295316070.db2.gz DIBMUMJBUSUWHS-QAPCUYQASA-N 2 1 315.461 2.633 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(N3CCCC3=O)c2)[C@H](C)C1 ZINC000155274532 295316076 /nfs/dbraw/zinc/31/60/76/295316076.db2.gz DIBMUMJBUSUWHS-QAPCUYQASA-N 2 1 315.461 2.633 20 0 DFADMP Fc1ccccc1OCCN1CC[C@H](Oc2ccncc2)C1 ZINC000156374701 295335181 /nfs/dbraw/zinc/33/51/81/295335181.db2.gz JWKCDCXVKKQDGZ-HNNXBMFYSA-N 2 1 302.349 2.753 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167621 295359129 /nfs/dbraw/zinc/35/91/29/295359129.db2.gz ATFCVZGTJKZFTK-CABCVRRESA-N 2 1 317.433 2.636 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1ccc2c(c1)CCC2 ZINC000158896022 295369063 /nfs/dbraw/zinc/36/90/63/295369063.db2.gz LVWFOYSHXCDFKM-JXFKEZNVSA-N 2 1 316.489 2.919 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000438545110 297097807 /nfs/dbraw/zinc/09/78/07/297097807.db2.gz LKVBYHFSPKBDKN-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438545110 297097809 /nfs/dbraw/zinc/09/78/09/297097809.db2.gz LKVBYHFSPKBDKN-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000438545110 297097810 /nfs/dbraw/zinc/09/78/10/297097810.db2.gz LKVBYHFSPKBDKN-RYRKJORJSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCC(C)CC1 ZINC000438558082 297098695 /nfs/dbraw/zinc/09/86/95/297098695.db2.gz ZYALEAJCTZIWJX-WMZOPIPTSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000438569945 297099382 /nfs/dbraw/zinc/09/93/82/297099382.db2.gz UZGNSSXLOALYIR-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000438569945 297099385 /nfs/dbraw/zinc/09/93/85/297099385.db2.gz UZGNSSXLOALYIR-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000438569945 297099388 /nfs/dbraw/zinc/09/93/88/297099388.db2.gz UZGNSSXLOALYIR-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442757267 297204503 /nfs/dbraw/zinc/20/45/03/297204503.db2.gz LVSOAJYLHVBKFM-RBSFLKMASA-N 2 1 311.429 2.836 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442757267 297204505 /nfs/dbraw/zinc/20/45/05/297204505.db2.gz LVSOAJYLHVBKFM-RBSFLKMASA-N 2 1 311.429 2.836 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000442765760 297205142 /nfs/dbraw/zinc/20/51/42/297205142.db2.gz MWURMRCIUFRYTO-IHRRRGAJSA-N 2 1 300.406 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)n1 ZINC000442765760 297205144 /nfs/dbraw/zinc/20/51/44/297205144.db2.gz MWURMRCIUFRYTO-IHRRRGAJSA-N 2 1 300.406 2.775 20 0 DFADMP C[C@@H](CCc1ccccc1F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442868532 297208779 /nfs/dbraw/zinc/20/87/79/297208779.db2.gz CMXYXCBCNMIWPW-INIZCTEOSA-N 2 1 321.484 2.762 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1(C)C ZINC000442875999 297209206 /nfs/dbraw/zinc/20/92/06/297209206.db2.gz QFIYVJMTTNHLSB-MRXNPFEDSA-N 2 1 319.493 2.909 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)[C@@H](C)C1 ZINC000442886660 297209401 /nfs/dbraw/zinc/20/94/01/297209401.db2.gz TUKDYYSQFAFZTJ-JQWIXIFHSA-N 2 1 304.360 2.591 20 0 DFADMP C[C@@H]1Cc2ccc(F)cc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442887947 297209788 /nfs/dbraw/zinc/20/97/88/297209788.db2.gz CFPSREDOGRWDSV-KDOFPFPSSA-N 2 1 319.468 2.675 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000442921426 297211067 /nfs/dbraw/zinc/21/10/67/297211067.db2.gz NEBSTAXTEJUKST-OAHLLOKOSA-N 2 1 312.417 2.830 20 0 DFADMP CCOc1c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)nn1CC(C)C ZINC000442917064 297211253 /nfs/dbraw/zinc/21/12/53/297211253.db2.gz BVHHKRJOCIODHS-MRXNPFEDSA-N 2 1 322.497 2.807 20 0 DFADMP Cc1nn2c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)c(C(C)C)nc2s1 ZINC000442922583 297211294 /nfs/dbraw/zinc/21/12/94/297211294.db2.gz OWZFSWQKXOAOAY-ZDUSSCGKSA-N 2 1 321.494 2.783 20 0 DFADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057648 297214105 /nfs/dbraw/zinc/21/41/05/297214105.db2.gz HNWRXCXWDZDKHT-KGLIPLIRSA-N 2 1 321.490 2.796 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000443075912 297215135 /nfs/dbraw/zinc/21/51/35/297215135.db2.gz RVESRVYHRKFHSP-LBPRGKRZSA-N 2 1 308.376 2.992 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000443075912 297215138 /nfs/dbraw/zinc/21/51/38/297215138.db2.gz RVESRVYHRKFHSP-LBPRGKRZSA-N 2 1 308.376 2.992 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCN1CCc2c(Cl)cccc2C1 ZINC000443086848 297215682 /nfs/dbraw/zinc/21/56/82/297215682.db2.gz HRGILBRZYVPQPI-KSSFIOAISA-N 2 1 321.896 2.628 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443214698 297217633 /nfs/dbraw/zinc/21/76/33/297217633.db2.gz LJERGZPSXHKJLA-RNIPGJKVSA-N 2 1 303.494 2.916 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443214698 297217634 /nfs/dbraw/zinc/21/76/34/297217634.db2.gz LJERGZPSXHKJLA-RNIPGJKVSA-N 2 1 303.494 2.916 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(OC)c2)C[C@@H]1C ZINC000443623715 297223297 /nfs/dbraw/zinc/22/32/97/297223297.db2.gz QRWZFTZUGJRAPY-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(OC)c2)C[C@@H]1C ZINC000443623715 297223298 /nfs/dbraw/zinc/22/32/98/297223298.db2.gz QRWZFTZUGJRAPY-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(OC)c2)C[C@@H]1C ZINC000443623715 297223300 /nfs/dbraw/zinc/22/33/00/297223300.db2.gz QRWZFTZUGJRAPY-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)cc1 ZINC000444616706 297241651 /nfs/dbraw/zinc/24/16/51/297241651.db2.gz JILCIAFFNBPNAO-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP CCCc1cc(NCC[N@H+]2CCCOCC2)c2ccccc2[nH+]1 ZINC000445672906 297264851 /nfs/dbraw/zinc/26/48/51/297264851.db2.gz CQODELIEZJAFKG-UHFFFAOYSA-N 2 1 313.445 2.743 20 0 DFADMP Cc1ccc(NC(=O)CC[N@H+](C)C2CC[NH+](C(C)C)CC2)nc1 ZINC000447344831 297301704 /nfs/dbraw/zinc/30/17/04/297301704.db2.gz DSCACUWQEBSORZ-UHFFFAOYSA-N 2 1 318.465 2.523 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)cc1)C1CC1 ZINC000447506627 297305541 /nfs/dbraw/zinc/30/55/41/297305541.db2.gz DHGUVYKZAYXGLV-WMLDXEAASA-N 2 1 315.461 2.541 20 0 DFADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000447529893 297307006 /nfs/dbraw/zinc/30/70/06/297307006.db2.gz LKONAVSPYANCIM-AYOQOUSVSA-N 2 1 302.462 2.917 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cccnc2o1 ZINC000449046838 297397045 /nfs/dbraw/zinc/39/70/45/297397045.db2.gz MCIAQGVOZLJDCQ-DJIMGWMZSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cccnc2o1 ZINC000449046838 297397048 /nfs/dbraw/zinc/39/70/48/297397048.db2.gz MCIAQGVOZLJDCQ-DJIMGWMZSA-N 2 1 315.417 2.511 20 0 DFADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+](C)C)c(-c2ccc(F)cc2)n1 ZINC000449063528 297398832 /nfs/dbraw/zinc/39/88/32/297398832.db2.gz QBANBOCIZGSKIN-UHFFFAOYSA-N 2 1 318.440 2.904 20 0 DFADMP CCOC(=O)c1cc(CNCCC[N@H+]2CCCC[C@H]2C)[nH]c1C ZINC000449062524 297399075 /nfs/dbraw/zinc/39/90/75/297399075.db2.gz LYWVDUGVCQYPHP-CQSZACIVSA-N 2 1 321.465 2.854 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)[nH]c1C ZINC000449062524 297399076 /nfs/dbraw/zinc/39/90/76/297399076.db2.gz LYWVDUGVCQYPHP-CQSZACIVSA-N 2 1 321.465 2.854 20 0 DFADMP CCOC(=O)c1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)[nH]c1C ZINC000449062524 297399079 /nfs/dbraw/zinc/39/90/79/297399079.db2.gz LYWVDUGVCQYPHP-CQSZACIVSA-N 2 1 321.465 2.854 20 0 DFADMP OC1CC[NH+](CCC[NH2+]C2CCC(OC3CCCC3)CC2)CC1 ZINC000449093891 297404112 /nfs/dbraw/zinc/40/41/12/297404112.db2.gz QFHRQPFMLIORHG-UHFFFAOYSA-N 2 1 324.509 2.693 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449126619 297409911 /nfs/dbraw/zinc/40/99/11/297409911.db2.gz USNQKMMLTINJDX-JFIYKMOQSA-N 2 1 323.525 2.734 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3=CCOCC3)CC2)cc1 ZINC000449403545 297459694 /nfs/dbraw/zinc/45/96/94/297459694.db2.gz QMISPMHWGWYXDE-UHFFFAOYSA-N 2 1 318.436 2.769 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3C[C@H](C)n4ccnc43)CC2)[nH+]1 ZINC000453110627 298062751 /nfs/dbraw/zinc/06/27/51/298062751.db2.gz CQJNVJZTCLYXHK-GOEBONIOSA-N 2 1 311.433 2.851 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+][C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453179642 298069115 /nfs/dbraw/zinc/06/91/15/298069115.db2.gz UYYOJGIXIOTDQQ-YRXWBPOGSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000453198194 298070618 /nfs/dbraw/zinc/07/06/18/298070618.db2.gz OUTRZNVOWXXHAO-BZUAXINKSA-N 2 1 302.466 2.650 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453260198 298077636 /nfs/dbraw/zinc/07/76/36/298077636.db2.gz CSYKJZATJNSNNU-IAQYHMDHSA-N 2 1 300.805 2.788 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCC[C@H]1O ZINC000453364986 298087245 /nfs/dbraw/zinc/08/72/45/298087245.db2.gz CHFLDYRDHPIMHC-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000453391246 298089150 /nfs/dbraw/zinc/08/91/50/298089150.db2.gz SXMZPGOSPFRUNI-WKWVNEEDSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(-n2cncn2)cc1 ZINC000453399230 298089698 /nfs/dbraw/zinc/08/96/98/298089698.db2.gz LDOYUTBHVIIYHN-HNNXBMFYSA-N 2 1 313.449 2.792 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@@H]1C ZINC000453411663 298091871 /nfs/dbraw/zinc/09/18/71/298091871.db2.gz VWRAHJDPVKHOKD-ZMSDIMECSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000453418527 298092702 /nfs/dbraw/zinc/09/27/02/298092702.db2.gz YHJYMQGJNALVNE-OXQOHEQNSA-N 2 1 324.472 2.828 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)OCCO2 ZINC000453442229 298096282 /nfs/dbraw/zinc/09/62/82/298096282.db2.gz YCOHVYALHZRGAT-AWEZNQCLSA-N 2 1 304.434 2.983 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1C ZINC000453469200 298097605 /nfs/dbraw/zinc/09/76/05/298097605.db2.gz ZXSZLKQVMMIHAN-UKBAYJJMSA-N 2 1 304.478 2.525 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1C ZINC000453469198 298097644 /nfs/dbraw/zinc/09/76/44/298097644.db2.gz ZXSZLKQVMMIHAN-QFHJOOASSA-N 2 1 304.478 2.525 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000453625932 298106774 /nfs/dbraw/zinc/10/67/74/298106774.db2.gz FPXBIJQOPIUBCJ-WAPOTWQKSA-N 2 1 314.473 2.648 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496072621 300015736 /nfs/dbraw/zinc/01/57/36/300015736.db2.gz SBBGKGNCBXVACF-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H]1[C@@H](C)[N@@H+](CCn2ccnc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000496528363 300075986 /nfs/dbraw/zinc/07/59/86/300075986.db2.gz QCDBTRTZMNKXCK-RRFJBIMHSA-N 2 1 322.453 2.601 20 0 DFADMP C[C@@H]1[C@@H](C)N(C(=O)OC(C)(C)C)C[C@H](C)N1CCn1ccnc1 ZINC000496528363 300075987 /nfs/dbraw/zinc/07/59/87/300075987.db2.gz QCDBTRTZMNKXCK-RRFJBIMHSA-N 2 1 322.453 2.601 20 0 DFADMP C[C@@H]1[C@H](C)[N@@H+](CCn2ccnc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000496528364 300076004 /nfs/dbraw/zinc/07/60/04/300076004.db2.gz QCDBTRTZMNKXCK-SOUVJXGZSA-N 2 1 322.453 2.601 20 0 DFADMP C[C@@H]1[C@H](C)N(CCn2ccnc2)[C@@H](C)CN1C(=O)OC(C)(C)C ZINC000496528364 300076006 /nfs/dbraw/zinc/07/60/06/300076006.db2.gz QCDBTRTZMNKXCK-SOUVJXGZSA-N 2 1 322.453 2.601 20 0 DFADMP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151253250 300086642 /nfs/dbraw/zinc/08/66/42/300086642.db2.gz BPPPVZQABJMZJL-YZVOILCLSA-N 2 1 320.452 2.886 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000497095366 300160473 /nfs/dbraw/zinc/16/04/73/300160473.db2.gz NHHDQBCYWGODIH-LBPRGKRZSA-N 2 1 314.389 2.566 20 0 DFADMP CC[N@@H+]1C[C@@H](C)N(c2cc(C(C)C)[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000497517327 300191028 /nfs/dbraw/zinc/19/10/28/300191028.db2.gz XOEOBSMTRFTVCM-UONOGXRCSA-N 2 1 305.470 2.585 20 0 DFADMP CC[N@H+]1C[C@@H](C)N(c2cc(C(C)C)[nH+]c(N(C)C)n2)C[C@@H]1C ZINC000497517327 300191032 /nfs/dbraw/zinc/19/10/32/300191032.db2.gz XOEOBSMTRFTVCM-UONOGXRCSA-N 2 1 305.470 2.585 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1(C(=O)OC)CCC1 ZINC000498940549 300199952 /nfs/dbraw/zinc/19/99/52/300199952.db2.gz QRVBVXRUDLSJLN-SJORKVTESA-N 2 1 322.493 2.962 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1(C(=O)OC)CCC1 ZINC000498940549 300199954 /nfs/dbraw/zinc/19/99/54/300199954.db2.gz QRVBVXRUDLSJLN-SJORKVTESA-N 2 1 322.493 2.962 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000513502500 300258101 /nfs/dbraw/zinc/25/81/01/300258101.db2.gz AFOKMJLLJBBSNB-VQIMIIECSA-N 2 1 304.478 2.992 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000513502497 300258187 /nfs/dbraw/zinc/25/81/87/300258187.db2.gz AFOKMJLLJBBSNB-APWZRJJASA-N 2 1 304.478 2.992 20 0 DFADMP Clc1ccc(CN2CCC([NH2+]CCC[NH+]3CCC3)CC2)cc1 ZINC000514826126 300273185 /nfs/dbraw/zinc/27/31/85/300273185.db2.gz CZMCWPKKTIWBBM-UHFFFAOYSA-N 2 1 321.896 2.990 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H]3CCOC3)C2)s1 ZINC000515018993 300284822 /nfs/dbraw/zinc/28/48/22/300284822.db2.gz NJFXXFOTQOEVGT-JKSUJKDBSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCOC3)C2)s1 ZINC000515018993 300284823 /nfs/dbraw/zinc/28/48/23/300284823.db2.gz NJFXXFOTQOEVGT-JKSUJKDBSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3CCOC3)C2)s1 ZINC000515018993 300284827 /nfs/dbraw/zinc/28/48/27/300284827.db2.gz NJFXXFOTQOEVGT-JKSUJKDBSA-N 2 1 308.491 2.847 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(Cc2cc(C(F)(F)F)n[nH]2)CC1 ZINC000515975011 300325635 /nfs/dbraw/zinc/32/56/35/300325635.db2.gz OEDYPFNBCZUPLF-UHFFFAOYSA-N 2 1 318.387 2.981 20 0 DFADMP CC(C)COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccco1 ZINC000516082872 300328650 /nfs/dbraw/zinc/32/86/50/300328650.db2.gz GFQPRABGYRKMJL-MRXNPFEDSA-N 2 1 305.422 2.949 20 0 DFADMP CC[NH+]1CCC(NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC1 ZINC000516311027 300339370 /nfs/dbraw/zinc/33/93/70/300339370.db2.gz QWYCXXVYGNKBRF-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000516798421 300361231 /nfs/dbraw/zinc/36/12/31/300361231.db2.gz VMCAHAJEUCRAJQ-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000516798421 300361233 /nfs/dbraw/zinc/36/12/33/300361233.db2.gz VMCAHAJEUCRAJQ-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000516798421 300361234 /nfs/dbraw/zinc/36/12/34/300361234.db2.gz VMCAHAJEUCRAJQ-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP c1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000516927790 300369950 /nfs/dbraw/zinc/36/99/50/300369950.db2.gz CIIJQTUNXQDRLT-HNNXBMFYSA-N 2 1 303.431 2.880 20 0 DFADMP c1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)on1 ZINC000516927790 300369952 /nfs/dbraw/zinc/36/99/52/300369952.db2.gz CIIJQTUNXQDRLT-HNNXBMFYSA-N 2 1 303.431 2.880 20 0 DFADMP C[C@@H](CCCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516969586 300374134 /nfs/dbraw/zinc/37/41/34/300374134.db2.gz BFZFOPAAZDDJTK-FUHWJXTLSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H](CCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516969586 300374135 /nfs/dbraw/zinc/37/41/35/300374135.db2.gz BFZFOPAAZDDJTK-FUHWJXTLSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516969587 300374193 /nfs/dbraw/zinc/37/41/93/300374193.db2.gz BFZFOPAAZDDJTK-SJLPKXTDSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H](CCCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516969587 300374196 /nfs/dbraw/zinc/37/41/96/300374196.db2.gz BFZFOPAAZDDJTK-SJLPKXTDSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530178600 301026209 /nfs/dbraw/zinc/02/62/09/301026209.db2.gz OSAPHWANVZJWFJ-WFASDCNBSA-N 2 1 321.852 2.931 20 0 DFADMP CC[N@@H+](C[C@H](Cc1ccc(F)cc1)OC)[C@@H]1CCC[NH2+]CC1 ZINC000530219445 301030850 /nfs/dbraw/zinc/03/08/50/301030850.db2.gz PPILBSZHYLSLSV-MSOLQXFVSA-N 2 1 308.441 2.847 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)s1 ZINC000530249855 301034270 /nfs/dbraw/zinc/03/42/70/301034270.db2.gz ZFQJHOCRQLNFMD-HNNXBMFYSA-N 2 1 323.506 2.857 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530407548 301046355 /nfs/dbraw/zinc/04/63/55/301046355.db2.gz ZICKXEJMLAYZKH-GFCCVEGCSA-N 2 1 320.824 2.623 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000531681428 301103741 /nfs/dbraw/zinc/10/37/41/301103741.db2.gz XDRQBSVLPQYTNX-IAGOWNOFSA-N 2 1 311.514 2.735 20 0 DFADMP COc1cccc2c(NCC[N@@H+]3CCO[C@@H](C)C3)cc(C)nc12 ZINC000531694222 301104041 /nfs/dbraw/zinc/10/40/41/301104041.db2.gz MZJBRUQEMYKHAR-AWEZNQCLSA-N 2 1 315.417 2.684 20 0 DFADMP COc1cccc2c(NCC[N@H+]3CCO[C@@H](C)C3)cc(C)nc12 ZINC000531694222 301104044 /nfs/dbraw/zinc/10/40/44/301104044.db2.gz MZJBRUQEMYKHAR-AWEZNQCLSA-N 2 1 315.417 2.684 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)ccc1OC(F)F ZINC000531945244 301120492 /nfs/dbraw/zinc/12/04/92/301120492.db2.gz PBAUKEZNBSNDPY-AAEUAGOBSA-N 2 1 314.376 2.726 20 0 DFADMP COc1cc(C)ccc1[C@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000531970032 301122154 /nfs/dbraw/zinc/12/21/54/301122154.db2.gz BAVNPBLWZPZBAM-DLBZAZTESA-N 2 1 320.477 2.891 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000531980909 301123557 /nfs/dbraw/zinc/12/35/57/301123557.db2.gz GNFFXRRQTNDOKH-XJKCOSOUSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000531980909 301123558 /nfs/dbraw/zinc/12/35/58/301123558.db2.gz GNFFXRRQTNDOKH-XJKCOSOUSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOCC2)c1 ZINC000532506871 301157080 /nfs/dbraw/zinc/15/70/80/301157080.db2.gz XPILRHKBRGNMRD-DLBZAZTESA-N 2 1 317.477 2.516 20 0 DFADMP C[C@H]([NH2+][C@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccnc1 ZINC000532641646 301165458 /nfs/dbraw/zinc/16/54/58/301165458.db2.gz WYQKSBZLEUXNEC-FXAWDEMLSA-N 2 1 324.472 2.721 20 0 DFADMP CC(C)(C)[N@H+]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC000533376523 301198460 /nfs/dbraw/zinc/19/84/60/301198460.db2.gz XGLMZDGJFWUSPI-QGZVFWFLSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC000533376523 301198463 /nfs/dbraw/zinc/19/84/63/301198463.db2.gz XGLMZDGJFWUSPI-QGZVFWFLSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)(C)[NH+]1CCCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000533376523 301198465 /nfs/dbraw/zinc/19/84/65/301198465.db2.gz XGLMZDGJFWUSPI-QGZVFWFLSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)n1C ZINC000536589666 301280958 /nfs/dbraw/zinc/28/09/58/301280958.db2.gz MUHZEESTTSMOMK-UHFFFAOYSA-N 2 1 319.493 2.878 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCCn2c3ccccc3[nH]c2=O)CC[N@@H+]1C ZINC000538619173 301325114 /nfs/dbraw/zinc/32/51/14/301325114.db2.gz KDTPTHRBKLTZBE-GJZGRUSLSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCCn2c3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000538619173 301325117 /nfs/dbraw/zinc/32/51/17/301325117.db2.gz KDTPTHRBKLTZBE-GJZGRUSLSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCCn2c3ccccc3[nH]c2=O)CC[NH+]1C ZINC000538619173 301325120 /nfs/dbraw/zinc/32/51/20/301325120.db2.gz KDTPTHRBKLTZBE-GJZGRUSLSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCCn2c3ccccc3[nH]c2=O)CC[NH+]1C ZINC000538619173 301325122 /nfs/dbraw/zinc/32/51/22/301325122.db2.gz KDTPTHRBKLTZBE-GJZGRUSLSA-N 2 1 316.449 2.547 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3nccn32)CC1 ZINC000539409110 301341731 /nfs/dbraw/zinc/34/17/31/301341731.db2.gz JIHAIGRXGRUDHB-UHFFFAOYSA-N 2 1 300.450 2.887 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1 ZINC000540604999 301366103 /nfs/dbraw/zinc/36/61/03/301366103.db2.gz CJQJCQCEAQEUMC-HNNXBMFYSA-N 2 1 301.434 2.564 20 0 DFADMP CC[N@H+]1CC[C@@H](Nc2cccc(OCC[NH+](C)C)c2)[C@H](C)C1 ZINC000540839557 301370631 /nfs/dbraw/zinc/37/06/31/301370631.db2.gz WEIWJICMRSHRMX-CRAIPNDOSA-N 2 1 305.466 2.769 20 0 DFADMP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000540988414 301380051 /nfs/dbraw/zinc/38/00/51/301380051.db2.gz LFIBUVNANQZTAP-OALUTQOASA-N 2 1 302.462 2.777 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@@H](C(=O)OC)C2CC2)CC1)CC1CC1 ZINC000541057371 301382256 /nfs/dbraw/zinc/38/22/56/301382256.db2.gz HCGMPXGPBJYKOT-GOSISDBHSA-N 2 1 322.493 2.772 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC(=O)Nc2ccccc21 ZINC000542494870 301414259 /nfs/dbraw/zinc/41/42/59/301414259.db2.gz OUZFZGNLIQCUBS-CJNGLKHVSA-N 2 1 312.417 2.891 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C1 ZINC000562955973 302017733 /nfs/dbraw/zinc/01/77/33/302017733.db2.gz RCNVPJUAVIAEOI-BRWVUGGUSA-N 2 1 304.482 2.944 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120211 302038949 /nfs/dbraw/zinc/03/89/49/302038949.db2.gz XFUMAXVKJRHNOT-QZTJIDSGSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000563120211 302038953 /nfs/dbraw/zinc/03/89/53/302038953.db2.gz XFUMAXVKJRHNOT-QZTJIDSGSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)n1ccnc1 ZINC000563235825 302053208 /nfs/dbraw/zinc/05/32/08/302053208.db2.gz INJDPNDMHNNODD-HNNXBMFYSA-N 2 1 306.454 2.605 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCCC(=O)N(C)C)CC1)CC1CC1 ZINC000563352581 302065561 /nfs/dbraw/zinc/06/55/61/302065561.db2.gz CWDXZFDMZUEKAT-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP Cc1cccc(CCC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)c1 ZINC000563361830 302066637 /nfs/dbraw/zinc/06/66/37/302066637.db2.gz RZDNSKQYEXZVFU-UHFFFAOYSA-N 2 1 304.478 2.753 20 0 DFADMP c1ccc(-c2nnc([C@@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)[nH]2)cc1 ZINC000563670166 302091614 /nfs/dbraw/zinc/09/16/14/302091614.db2.gz LXRUMGCBGOGBCI-ZBFHGGJFSA-N 2 1 311.433 2.608 20 0 DFADMP Fc1cc(OCC[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000563810051 302099679 /nfs/dbraw/zinc/09/96/79/302099679.db2.gz BLJIVYYKQZJFBV-MRXNPFEDSA-N 2 1 312.816 2.933 20 0 DFADMP Fc1cc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000563810051 302099680 /nfs/dbraw/zinc/09/96/80/302099680.db2.gz BLJIVYYKQZJFBV-MRXNPFEDSA-N 2 1 312.816 2.933 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000564847816 302163515 /nfs/dbraw/zinc/16/35/15/302163515.db2.gz BXOHLHVRVWSYJT-HNNXBMFYSA-N 2 1 321.440 2.722 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000564845974 302163820 /nfs/dbraw/zinc/16/38/20/302163820.db2.gz YAQWLAREBHYPLC-QZTJIDSGSA-N 2 1 320.477 2.671 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1cc(Cl)c2c(c1)OCCCO2)C1CC1 ZINC000564989344 302179590 /nfs/dbraw/zinc/17/95/90/302179590.db2.gz KQHUYNRPNQNASK-MRXNPFEDSA-N 2 1 310.825 2.718 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155534 302198782 /nfs/dbraw/zinc/19/87/82/302198782.db2.gz GHJWTQMSFBNBAY-RBUKOAKNSA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155534 302198784 /nfs/dbraw/zinc/19/87/84/302198784.db2.gz GHJWTQMSFBNBAY-RBUKOAKNSA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155534 302198787 /nfs/dbraw/zinc/19/87/87/302198787.db2.gz GHJWTQMSFBNBAY-RBUKOAKNSA-N 2 1 304.478 2.644 20 0 DFADMP C[C@H]1C[C@@H](NC2CC([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000565218804 302208780 /nfs/dbraw/zinc/20/87/80/302208780.db2.gz PCKPQNRBTDVMCO-FLODPWGTSA-N 2 1 301.478 2.722 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)N2CCCC2)cc1 ZINC000565225296 302209787 /nfs/dbraw/zinc/20/97/87/302209787.db2.gz CGPZHGHBGNUYID-AOIWGVFYSA-N 2 1 317.477 2.692 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)O[C@@H](C)C2 ZINC000565475060 302226503 /nfs/dbraw/zinc/22/65/03/302226503.db2.gz KWDRPQKVOGWPFA-RRFJBIMHSA-N 2 1 318.461 2.886 20 0 DFADMP COc1cncc(/C=C/CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000566156647 302264246 /nfs/dbraw/zinc/26/42/46/302264246.db2.gz ZXFOXGIXYORCJM-NDOICKTLSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C/CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000566156647 302264247 /nfs/dbraw/zinc/26/42/47/302264247.db2.gz ZXFOXGIXYORCJM-NDOICKTLSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C/CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000566156647 302264248 /nfs/dbraw/zinc/26/42/48/302264248.db2.gz ZXFOXGIXYORCJM-NDOICKTLSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C/CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000566156647 302264251 /nfs/dbraw/zinc/26/42/51/302264251.db2.gz ZXFOXGIXYORCJM-NDOICKTLSA-N 2 1 303.450 2.908 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000566412595 302284938 /nfs/dbraw/zinc/28/49/38/302284938.db2.gz XVQABMNMIKLCEM-AAEUAGOBSA-N 2 1 302.340 2.939 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nccn2CCCc2ccccc2)C1 ZINC000566571393 302296394 /nfs/dbraw/zinc/29/63/94/302296394.db2.gz ACWZFAUDQCVJDZ-ROUUACIJSA-N 2 1 312.461 2.875 20 0 DFADMP CC[C@H](c1ccccc1)[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)CC ZINC000566686174 302304202 /nfs/dbraw/zinc/30/42/02/302304202.db2.gz BYTSJAYJMCEJBX-QRVBRYPASA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)cc1 ZINC000567227543 302343345 /nfs/dbraw/zinc/34/33/45/302343345.db2.gz MDKPTRPZEIWQGJ-OAHLLOKOSA-N 2 1 317.412 2.652 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]CC2(N3CCSCC3)CCCCC2)C1 ZINC000567249891 302345414 /nfs/dbraw/zinc/34/54/14/302345414.db2.gz XSLLWFRVTJUBNE-HOTGVXAUSA-N 2 1 311.539 2.598 20 0 DFADMP CSc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCC2 ZINC000567269540 302346634 /nfs/dbraw/zinc/34/66/34/302346634.db2.gz KOSWDBPWTSHMTL-MAUKXSAKSA-N 2 1 320.502 2.832 20 0 DFADMP CCC[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567501959 302364733 /nfs/dbraw/zinc/36/47/33/302364733.db2.gz PTJVCKJFJJQAHK-AEFFLSMTSA-N 2 1 323.525 2.878 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000567627190 302374687 /nfs/dbraw/zinc/37/46/87/302374687.db2.gz GTQKNPRFMKJYGB-LJQANCHMSA-N 2 1 302.462 2.936 20 0 DFADMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccc(F)c1 ZINC000567891041 302396761 /nfs/dbraw/zinc/39/67/61/302396761.db2.gz WZFBEOSUXMXCPD-HNNXBMFYSA-N 2 1 317.412 2.652 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC[NH2+]C2CC2)cc1 ZINC000568231242 302432755 /nfs/dbraw/zinc/43/27/55/302432755.db2.gz OXKRBNQUVXGKGY-CYBMUJFWSA-N 2 1 312.417 2.500 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000570133753 302557361 /nfs/dbraw/zinc/55/73/61/302557361.db2.gz SUCYEZPTCOQWRM-UHFFFAOYSA-N 2 1 318.505 2.963 20 0 DFADMP Cc1[nH+]cc(CNc2ccccc2C[NH+]2CCSCC2)n1C ZINC000570226125 302562839 /nfs/dbraw/zinc/56/28/39/302562839.db2.gz OYKBPJXQTYCVLO-UHFFFAOYSA-N 2 1 316.474 2.889 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000571275576 302610945 /nfs/dbraw/zinc/61/09/45/302610945.db2.gz LNDAGGSMTZBYJJ-VXGBXAGGSA-N 2 1 314.376 2.774 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000573614240 302713104 /nfs/dbraw/zinc/71/31/04/302713104.db2.gz AMQSYAKKJYLYAE-UHFFFAOYSA-N 2 1 306.841 2.788 20 0 DFADMP c1ccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CCC2)cc1 ZINC000261862327 304854291 /nfs/dbraw/zinc/85/42/91/304854291.db2.gz CEYGRSOGSROVJP-GUDVDZBRSA-N 2 1 314.473 2.855 20 0 DFADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]CC2([NH+](C)C)CCOCC2)cc1 ZINC000168318743 315893024 /nfs/dbraw/zinc/89/30/24/315893024.db2.gz DNCJZCHQZAMBCQ-HOTGVXAUSA-N 2 1 320.477 2.888 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000181450254 316059814 /nfs/dbraw/zinc/05/98/14/316059814.db2.gz LMYFUHGECCZDGI-RDJZCZTQSA-N 2 1 315.461 2.948 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000181450254 316059816 /nfs/dbraw/zinc/05/98/16/316059816.db2.gz LMYFUHGECCZDGI-RDJZCZTQSA-N 2 1 315.461 2.948 20 0 DFADMP COc1ccc([C@H](CCO)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000182381470 316100439 /nfs/dbraw/zinc/10/04/39/316100439.db2.gz HKXPIDZZEOQKEH-SFHVURJKSA-N 2 1 317.433 2.694 20 0 DFADMP CC1CC[NH+](CCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000183079359 316129606 /nfs/dbraw/zinc/12/96/06/316129606.db2.gz CLUSCPXTUQVGTB-LJQANCHMSA-N 2 1 301.478 2.707 20 0 DFADMP CC1CC[NH+](CCN2CC[N@@H+](C)C[C@@H]2c2ccccc2)CC1 ZINC000183079359 316129608 /nfs/dbraw/zinc/12/96/08/316129608.db2.gz CLUSCPXTUQVGTB-LJQANCHMSA-N 2 1 301.478 2.707 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C[S@](C)=O)c1ccccc1 ZINC000183185954 316132714 /nfs/dbraw/zinc/13/27/14/316132714.db2.gz BRXKOQDYBHJPRS-JTSKRJEESA-N 2 1 319.474 2.681 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1CCCC[C@H]1CC[NH3+])O[C@@H](C)C2 ZINC000316972028 316247202 /nfs/dbraw/zinc/24/72/02/316247202.db2.gz IGIYWLJCLKVGGL-BBRMVZONSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCCC[C@H]1CC[NH3+])O[C@@H](C)C2 ZINC000316972028 316247207 /nfs/dbraw/zinc/24/72/07/316247207.db2.gz IGIYWLJCLKVGGL-BBRMVZONSA-N 2 1 304.434 2.722 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000320443388 316254001 /nfs/dbraw/zinc/25/40/01/316254001.db2.gz CRCDEIDKHSHSKF-WMZOPIPTSA-N 2 1 317.477 2.847 20 0 DFADMP C[N@H+]1CC[C@H](c2nc(-c3ccccc3C[NH+]3CCCC3)no2)C1 ZINC000349925229 316371346 /nfs/dbraw/zinc/37/13/46/316371346.db2.gz CACNRGSPQBEUSO-HNNXBMFYSA-N 2 1 312.417 2.752 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H](C)O ZINC000449547920 317040400 /nfs/dbraw/zinc/04/04/00/317040400.db2.gz ZAVGOLZLXXAXAD-KBXCAEBGSA-N 2 1 308.441 2.582 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450376138 317087294 /nfs/dbraw/zinc/08/72/94/317087294.db2.gz ZTGPEJOMBZMOGC-BHMZLHOFSA-N 2 1 302.462 2.867 20 0 DFADMP C[N@@H+](CCN1CC[C@H]2[C@@H](CCC[NH+]2C)C1)Cc1ccccc1 ZINC000450499283 317099296 /nfs/dbraw/zinc/09/92/96/317099296.db2.gz IYQPYLPEAQIUTK-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)Cc1ccccc1 ZINC000450499283 317099299 /nfs/dbraw/zinc/09/92/99/317099299.db2.gz IYQPYLPEAQIUTK-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)Cc1ccccc1 ZINC000450499283 317099304 /nfs/dbraw/zinc/09/93/04/317099304.db2.gz IYQPYLPEAQIUTK-OALUTQOASA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000450503446 317100675 /nfs/dbraw/zinc/10/06/75/317100675.db2.gz XPILOZQZZISAEN-ATZDWAIDSA-N 2 1 312.413 2.699 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000453370078 317181412 /nfs/dbraw/zinc/18/14/12/317181412.db2.gz FKMVMLULXCJOBF-AYOQOUSVSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456705640 317244987 /nfs/dbraw/zinc/24/49/87/317244987.db2.gz IHAZKHGFVBRMFM-HZPDHXFCSA-N 2 1 323.525 2.543 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456705639 317245065 /nfs/dbraw/zinc/24/50/65/317245065.db2.gz IHAZKHGFVBRMFM-HOTGVXAUSA-N 2 1 323.525 2.543 20 0 DFADMP C[N@H+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000458236533 317269612 /nfs/dbraw/zinc/26/96/12/317269612.db2.gz YJNXMWAYPQSZND-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000458236533 317269617 /nfs/dbraw/zinc/26/96/17/317269617.db2.gz YJNXMWAYPQSZND-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000458236533 317269621 /nfs/dbraw/zinc/26/96/21/317269621.db2.gz YJNXMWAYPQSZND-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000458236530 317269732 /nfs/dbraw/zinc/26/97/32/317269732.db2.gz YJNXMWAYPQSZND-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000458236530 317269734 /nfs/dbraw/zinc/26/97/34/317269734.db2.gz YJNXMWAYPQSZND-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@H](CCNC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000458236530 317269738 /nfs/dbraw/zinc/26/97/38/317269738.db2.gz YJNXMWAYPQSZND-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCc2ccc(Cl)cc2)CCCO1 ZINC000459504928 317327261 /nfs/dbraw/zinc/32/72/61/317327261.db2.gz JCKLTWIOQUJJQB-OAHLLOKOSA-N 2 1 310.869 2.973 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488430222 317392689 /nfs/dbraw/zinc/39/26/89/317392689.db2.gz JXEVPBLZTNBIIV-DLBZAZTESA-N 2 1 313.555 2.524 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)CS1 ZINC000488469974 317396121 /nfs/dbraw/zinc/39/61/21/317396121.db2.gz ZQRARQROZPUTGZ-HOTGVXAUSA-N 2 1 312.523 2.751 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000574544398 318023957 /nfs/dbraw/zinc/02/39/57/318023957.db2.gz PSMPPKNOELRQSA-CQSZACIVSA-N 2 1 318.490 2.969 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(CC[NH3+])CC2)c(F)c1 ZINC000574881731 318047440 /nfs/dbraw/zinc/04/74/40/318047440.db2.gz HWHCJZVMGRPILU-CYBMUJFWSA-N 2 1 307.413 2.522 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000575059145 318060301 /nfs/dbraw/zinc/06/03/01/318060301.db2.gz HWVKVNPNJILHJN-BPUTZDHNSA-N 2 1 306.425 2.554 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000575398211 318075957 /nfs/dbraw/zinc/07/59/57/318075957.db2.gz APZMSZLZHSIRBW-ROUUACIJSA-N 2 1 317.477 2.847 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1)[C@H]1CCC[NH2+]C1 ZINC000576027011 318099125 /nfs/dbraw/zinc/09/91/25/318099125.db2.gz IJHHDAOMEUTKRA-WHOFXGATSA-N 2 1 316.367 2.717 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)Cc2ccccc2)C1 ZINC000576457223 318127440 /nfs/dbraw/zinc/12/74/40/318127440.db2.gz AVUYPYQOXMLQAO-NSHGMRRFSA-N 2 1 318.505 2.938 20 0 DFADMP COC[C@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@@H]1COC ZINC000576702529 318144014 /nfs/dbraw/zinc/14/40/14/318144014.db2.gz DCKVCHXMADPNAD-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000576725824 318146302 /nfs/dbraw/zinc/14/63/02/318146302.db2.gz IRKDOXBRFSQDIS-OTWHNJEPSA-N 2 1 300.446 2.797 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]C3)c2C1 ZINC000576838186 318154475 /nfs/dbraw/zinc/15/44/75/318154475.db2.gz PGOPJTMPCRMDKX-CQSZACIVSA-N 2 1 301.434 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@H]3CCC[NH2+]C3)c2C1 ZINC000576838186 318154477 /nfs/dbraw/zinc/15/44/77/318154477.db2.gz PGOPJTMPCRMDKX-CQSZACIVSA-N 2 1 301.434 2.740 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCC1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000577229836 318180035 /nfs/dbraw/zinc/18/00/35/318180035.db2.gz RNDJGGYRKFLERH-OAHLLOKOSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000577280759 318182877 /nfs/dbraw/zinc/18/28/77/318182877.db2.gz MPIQHISIULJPQR-MELADBBJSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000577280759 318182878 /nfs/dbraw/zinc/18/28/78/318182878.db2.gz MPIQHISIULJPQR-MELADBBJSA-N 2 1 323.868 2.576 20 0 DFADMP COc1cc(F)c(C[NH2+]CCCn2cc[nH+]c2C)cc1OC ZINC000577378603 318189219 /nfs/dbraw/zinc/18/92/19/318189219.db2.gz ARMZVDLTJDCICL-UHFFFAOYSA-N 2 1 307.369 2.528 20 0 DFADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577848839 318221085 /nfs/dbraw/zinc/22/10/85/318221085.db2.gz ITUHUPKVAYHYKG-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577848839 318221087 /nfs/dbraw/zinc/22/10/87/318221087.db2.gz ITUHUPKVAYHYKG-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)Cc1ccc2ccccc2c1)C1=CC[N@@H+](C)CC1 ZINC000577948574 318227715 /nfs/dbraw/zinc/22/77/15/318227715.db2.gz NZPFGQKFTWLOIM-HRAATJIYSA-N 2 1 324.468 2.983 20 0 DFADMP Cn1cc([C@H]2C[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2(C)C)cn1 ZINC000578079727 318236332 /nfs/dbraw/zinc/23/63/32/318236332.db2.gz BKJIHPKPSAVMDF-IAGOWNOFSA-N 2 1 304.482 2.720 20 0 DFADMP Cn1cc([C@H]2C[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000578079727 318236334 /nfs/dbraw/zinc/23/63/34/318236334.db2.gz BKJIHPKPSAVMDF-IAGOWNOFSA-N 2 1 304.482 2.720 20 0 DFADMP Cn1cc([C@H]2C[NH+](CC[C@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000578079727 318236336 /nfs/dbraw/zinc/23/63/36/318236336.db2.gz BKJIHPKPSAVMDF-IAGOWNOFSA-N 2 1 304.482 2.720 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263974 318249071 /nfs/dbraw/zinc/24/90/71/318249071.db2.gz CABNNNNKYBSXJS-CZUORRHYSA-N 2 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263974 318249072 /nfs/dbraw/zinc/24/90/72/318249072.db2.gz CABNNNNKYBSXJS-CZUORRHYSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263974 318249073 /nfs/dbraw/zinc/24/90/73/318249073.db2.gz CABNNNNKYBSXJS-CZUORRHYSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263974 318249074 /nfs/dbraw/zinc/24/90/74/318249074.db2.gz CABNNNNKYBSXJS-CZUORRHYSA-N 3 1 304.463 2.706 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000578263974 318249075 /nfs/dbraw/zinc/24/90/75/318249075.db2.gz CABNNNNKYBSXJS-CZUORRHYSA-N 3 1 304.463 2.706 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H]3CCCC[C@@H]3O)C2)[nH+]1 ZINC000578421315 318259390 /nfs/dbraw/zinc/25/93/90/318259390.db2.gz KWYQRJWUVPIEKO-BBWFWOEESA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@H]3CCCC[C@@H]3O)C2)[nH+]1 ZINC000578421315 318259392 /nfs/dbraw/zinc/25/93/92/318259392.db2.gz KWYQRJWUVPIEKO-BBWFWOEESA-N 2 1 303.450 2.675 20 0 DFADMP C[C@@H]([NH2+]Cc1cccnc1OCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000578422888 318259400 /nfs/dbraw/zinc/25/94/00/318259400.db2.gz IXRFIGRSMHFKHQ-NEPJUHHUSA-N 2 1 317.355 2.500 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000578499026 318264776 /nfs/dbraw/zinc/26/47/76/318264776.db2.gz BGEUHUCUHRZAEG-UHFFFAOYSA-N 2 1 319.424 2.679 20 0 DFADMP COc1cc(F)c(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000578514771 318266461 /nfs/dbraw/zinc/26/64/61/318266461.db2.gz WDIUYNNMDUOVIN-GFCCVEGCSA-N 2 1 321.396 2.774 20 0 DFADMP COc1cc(F)c([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)cc1OC ZINC000578519095 318266728 /nfs/dbraw/zinc/26/67/28/318266728.db2.gz OVPPNBSXWSYMJY-GFCCVEGCSA-N 2 1 321.396 2.860 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(Br)cn1 ZINC000578738458 318281585 /nfs/dbraw/zinc/28/15/85/318281585.db2.gz YJSFWIBJRGWDFG-SRVKXCTJSA-N 2 1 312.255 2.883 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000579369937 318326714 /nfs/dbraw/zinc/32/67/14/318326714.db2.gz SCUOSUHMQFKRAK-AAEUAGOBSA-N 2 1 302.340 2.939 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN1CC[C@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000579377317 318327513 /nfs/dbraw/zinc/32/75/13/318327513.db2.gz MNOFNPBTEZYBBO-MOPGFXCFSA-N 2 1 303.494 2.609 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579822501 318356483 /nfs/dbraw/zinc/35/64/83/318356483.db2.gz WOHPTWIYGBCDEL-SXLOBPIMSA-N 2 1 315.505 2.529 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579822501 318356485 /nfs/dbraw/zinc/35/64/85/318356485.db2.gz WOHPTWIYGBCDEL-SXLOBPIMSA-N 3 1 315.505 2.529 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579822501 318356487 /nfs/dbraw/zinc/35/64/87/318356487.db2.gz WOHPTWIYGBCDEL-SXLOBPIMSA-N 3 1 315.505 2.529 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192457438 323241903 /nfs/dbraw/zinc/24/19/03/323241903.db2.gz JAFBEQFXYKPRAV-UHFFFAOYSA-N 2 1 319.474 2.562 20 0 DFADMP Cn1c2ccc(C[NH2+][C@H]3CCC[C@@H]([NH+](C)C)C3)cc2sc1=O ZINC000192604218 323244782 /nfs/dbraw/zinc/24/47/82/323244782.db2.gz UOSVFRFPLYVRQS-UONOGXRCSA-N 2 1 319.474 2.562 20 0 DFADMP CCOC(=O)[C@@]1(C(C)C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000194876507 323274390 /nfs/dbraw/zinc/27/43/90/323274390.db2.gz XIHZKRQTZQUJRA-SFHVURJKSA-N 2 1 310.482 2.774 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379631636 323289653 /nfs/dbraw/zinc/28/96/53/323289653.db2.gz RQDASHMIJYBOOV-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379631636 323289657 /nfs/dbraw/zinc/28/96/57/323289657.db2.gz RQDASHMIJYBOOV-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379631636 323289659 /nfs/dbraw/zinc/28/96/59/323289659.db2.gz RQDASHMIJYBOOV-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H](CCNC(=O)[C@@H]1CCCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379681799 323291043 /nfs/dbraw/zinc/29/10/43/323291043.db2.gz TVHXUZOBLGGXAD-WMZOPIPTSA-N 2 1 317.477 2.545 20 0 DFADMP CCOC[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000381784844 323295670 /nfs/dbraw/zinc/29/56/70/323295670.db2.gz HDJWJYCCVOSJKY-DSLXNQLJSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CCC1CC[NH2+]CC1 ZINC000382696734 323301449 /nfs/dbraw/zinc/30/14/49/323301449.db2.gz KGISQUZQDZSYOR-SFHVURJKSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000382719072 323301567 /nfs/dbraw/zinc/30/15/67/323301567.db2.gz JSBZYTIQIUDRJM-MSOLQXFVSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000382719072 323301570 /nfs/dbraw/zinc/30/15/70/323301570.db2.gz JSBZYTIQIUDRJM-MSOLQXFVSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[C@@H]1CC[NH2+]C1 ZINC000382719072 323301573 /nfs/dbraw/zinc/30/15/73/323301573.db2.gz JSBZYTIQIUDRJM-MSOLQXFVSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1CC[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382736918 323302537 /nfs/dbraw/zinc/30/25/37/323302537.db2.gz JGGCDXSMXHREOP-QZTJIDSGSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Br)s1 ZINC000382840929 323302631 /nfs/dbraw/zinc/30/26/31/323302631.db2.gz UNCCBWVUBLPJNY-JQWIXIFHSA-N 2 1 317.296 2.983 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccccc3)CC2)CC1 ZINC000383956690 323305652 /nfs/dbraw/zinc/30/56/52/323305652.db2.gz BNPGPGBCQVUIPD-UHFFFAOYSA-N 2 1 301.478 2.679 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H](Cc1ccncc1)c1cccs1 ZINC000580551778 323402654 /nfs/dbraw/zinc/40/26/54/323402654.db2.gz GPQBFDPZFWVTSS-INIZCTEOSA-N 2 1 312.442 2.993 20 0 DFADMP Cc1c([C@@H](C)[NH2+]Cc2ccc(C[NH3+])cc2)nnn1-c1ccccc1 ZINC000581825037 323574814 /nfs/dbraw/zinc/57/48/14/323574814.db2.gz VLINNCLPIJWRSR-CQSZACIVSA-N 2 1 321.428 2.885 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(NC(=O)CCCC[NH+](C)C)sc2C1 ZINC000584375348 337232717 /nfs/dbraw/zinc/23/27/17/337232717.db2.gz NMWFSMZLANCBCY-UHFFFAOYSA-N 2 1 324.494 2.580 20 0 DFADMP CC(C)[N@H+]1CCc2nc(NC(=O)CCCC[NH+](C)C)sc2C1 ZINC000584375348 337232718 /nfs/dbraw/zinc/23/27/18/337232718.db2.gz NMWFSMZLANCBCY-UHFFFAOYSA-N 2 1 324.494 2.580 20 0 DFADMP C[C@@H](NCC1([NH3+])CC[NH+](Cc2ccccc2)CC1)c1ccoc1 ZINC000584584990 337368904 /nfs/dbraw/zinc/36/89/04/337368904.db2.gz ZEXDIBGZQVHDKA-MRXNPFEDSA-N 2 1 313.445 2.924 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)CC[N@@H+]1C ZINC000292757063 533896140 /nfs/dbraw/zinc/89/61/40/533896140.db2.gz IPQAVADWWPVOEQ-FVQBIDKESA-N 2 1 302.418 2.881 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H](O)c2cc3ccccc3o2)CC[N@H+]1C ZINC000292757063 533896143 /nfs/dbraw/zinc/89/61/43/533896143.db2.gz IPQAVADWWPVOEQ-FVQBIDKESA-N 2 1 302.418 2.881 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC[NH+]1C ZINC000292757063 533896152 /nfs/dbraw/zinc/89/61/52/533896152.db2.gz IPQAVADWWPVOEQ-FVQBIDKESA-N 2 1 302.418 2.881 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H](O)c2cc3ccccc3o2)CC[NH+]1C ZINC000292757063 533896159 /nfs/dbraw/zinc/89/61/59/533896159.db2.gz IPQAVADWWPVOEQ-FVQBIDKESA-N 2 1 302.418 2.881 20 0 DFADMP C[C@H]1C[C@@H](CNc2cc[nH+]cc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000302158061 534084948 /nfs/dbraw/zinc/08/49/48/534084948.db2.gz OHFYSYMVNWUCJA-HOCLYGCPSA-N 2 1 324.428 2.503 20 0 DFADMP C[C@H]1C[C@@H](CNc2cc[nH+]cc2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000302158061 534084957 /nfs/dbraw/zinc/08/49/57/534084957.db2.gz OHFYSYMVNWUCJA-HOCLYGCPSA-N 2 1 324.428 2.503 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000365154887 519632949 /nfs/dbraw/zinc/63/29/49/519632949.db2.gz IDCNSYRJPPGWSA-IAGOWNOFSA-N 2 1 302.466 2.643 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000365154887 519632950 /nfs/dbraw/zinc/63/29/50/519632950.db2.gz IDCNSYRJPPGWSA-IAGOWNOFSA-N 2 1 302.466 2.643 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000157334844 519914967 /nfs/dbraw/zinc/91/49/67/519914967.db2.gz YTEUMLBWTAUDGO-UHFFFAOYSA-N 2 1 312.255 2.666 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2cc(-c3cccs3)on2)CC1 ZINC000317548007 534618150 /nfs/dbraw/zinc/61/81/50/534618150.db2.gz MKDJACSFDKAZTM-UHFFFAOYSA-N 2 1 321.446 2.733 20 0 DFADMP Cc1[nH+]c2ccccc2c(N[C@H](C)CN2CC[NH+](C)CC2)c1C ZINC000302104672 534671259 /nfs/dbraw/zinc/67/12/59/534671259.db2.gz WXOZDQXGFNCCFN-CQSZACIVSA-N 2 1 312.461 2.899 20 0 DFADMP COc1cc2c(cc1OC)CC[NH+](CCC[NH+]1CCCC1)CC2 ZINC000371185716 523026941 /nfs/dbraw/zinc/02/69/41/523026941.db2.gz UCFOVEOLGXWRSP-UHFFFAOYSA-N 2 1 318.461 2.590 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848651 523811927 /nfs/dbraw/zinc/81/19/27/523811927.db2.gz BOKSBQBMNJQLNC-WMLDXEAASA-N 2 1 323.868 2.578 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367614688 523989133 /nfs/dbraw/zinc/98/91/33/523989133.db2.gz IUQWOHRZBXVVSU-OKZBNKHCSA-N 2 1 314.477 2.644 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000154467457 524558792 /nfs/dbraw/zinc/55/87/92/524558792.db2.gz IROBPROVBZZVTM-YOEHRIQHSA-N 2 1 312.461 2.731 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)O1 ZINC000365074268 524589913 /nfs/dbraw/zinc/58/99/13/524589913.db2.gz VKXLPXQXRBVELW-APWZRJJASA-N 2 1 317.477 2.588 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)O1 ZINC000365074268 524589922 /nfs/dbraw/zinc/58/99/22/524589922.db2.gz VKXLPXQXRBVELW-APWZRJJASA-N 2 1 317.477 2.588 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163370580 524897918 /nfs/dbraw/zinc/89/79/18/524897918.db2.gz AHIDWPAUQKMCLS-UNEWFSDZSA-N 2 1 307.869 2.849 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163370580 524897929 /nfs/dbraw/zinc/89/79/29/524897929.db2.gz AHIDWPAUQKMCLS-UNEWFSDZSA-N 2 1 307.869 2.849 20 0 DFADMP Cc1ccc(N2CCC([NH2+][C@H](C)C3CCOCC3)CC2)[nH+]c1 ZINC000163543740 524943421 /nfs/dbraw/zinc/94/34/21/524943421.db2.gz RNOAECJSRFULRJ-OAHLLOKOSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000368492628 524977330 /nfs/dbraw/zinc/97/73/30/524977330.db2.gz CYUADWLVFJYELE-QRQLOZEOSA-N 2 1 324.509 2.672 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CCC1 ZINC000363821955 525006833 /nfs/dbraw/zinc/00/68/33/525006833.db2.gz MMMHNEVPRCPDSI-AEFFLSMTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC[N@@H+]1C ZINC000154574078 525263550 /nfs/dbraw/zinc/26/35/50/525263550.db2.gz SFGXVQXPKXXCTG-QAPCUYQASA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC[N@H+]1C ZINC000154574078 525263557 /nfs/dbraw/zinc/26/35/57/525263557.db2.gz SFGXVQXPKXXCTG-QAPCUYQASA-N 2 1 321.509 2.630 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C1 ZINC000364120509 525325267 /nfs/dbraw/zinc/32/52/67/525325267.db2.gz LMZQRUDTTHDXIX-HAGHYFMRSA-N 2 1 314.473 2.950 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C1 ZINC000364120509 525325273 /nfs/dbraw/zinc/32/52/73/525325273.db2.gz LMZQRUDTTHDXIX-HAGHYFMRSA-N 2 1 314.473 2.950 20 0 DFADMP Cc1ccsc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000354025401 525845227 /nfs/dbraw/zinc/84/52/27/525845227.db2.gz CYQYTDLPOZCZBW-HZPDHXFCSA-N 2 1 307.507 2.514 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000294986229 527882942 /nfs/dbraw/zinc/88/29/42/527882942.db2.gz HAUTXYJZAQAFQL-AAEUAGOBSA-N 2 1 301.356 2.920 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000294986229 527882946 /nfs/dbraw/zinc/88/29/46/527882946.db2.gz HAUTXYJZAQAFQL-AAEUAGOBSA-N 2 1 301.356 2.920 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000298159825 528265912 /nfs/dbraw/zinc/26/59/12/528265912.db2.gz SJMKJHCFKNFTDR-QGZVFWFLSA-N 2 1 318.461 2.955 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@@H](O)c2cccnc2)CC1 ZINC000295573800 528338490 /nfs/dbraw/zinc/33/84/90/528338490.db2.gz RJRHLIUQYXNSNE-GOSISDBHSA-N 2 1 305.466 2.559 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309749465 528970753 /nfs/dbraw/zinc/97/07/53/528970753.db2.gz YZHMLDBARHFWCA-NXHRZFHOSA-N 2 1 317.477 2.531 20 0 DFADMP CC[NH+]1CCC(NC[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000309743481 528986908 /nfs/dbraw/zinc/98/69/08/528986908.db2.gz SROGRJACRRXBFL-SFHVURJKSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000315652927 529017881 /nfs/dbraw/zinc/01/78/81/529017881.db2.gz XQTWETROEOQNOK-IHRRRGAJSA-N 2 1 308.388 2.806 20 0 DFADMP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245456000 535646475 /nfs/dbraw/zinc/64/64/75/535646475.db2.gz SWKCTRSRFGAUIX-WMZOPIPTSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000245456000 535646480 /nfs/dbraw/zinc/64/64/80/535646480.db2.gz SWKCTRSRFGAUIX-WMZOPIPTSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245456000 535646483 /nfs/dbraw/zinc/64/64/83/535646483.db2.gz SWKCTRSRFGAUIX-WMZOPIPTSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000245456000 535646486 /nfs/dbraw/zinc/64/64/86/535646486.db2.gz SWKCTRSRFGAUIX-WMZOPIPTSA-N 2 1 318.461 2.925 20 0 DFADMP C[NH+](C)CCOC1CC[NH+](Cc2ccsc2Cl)CC1 ZINC000361549978 535892918 /nfs/dbraw/zinc/89/29/18/535892918.db2.gz QHILHWGGBINMDP-UHFFFAOYSA-N 2 1 302.871 2.944 20 0 DFADMP C[NH+](C)Cc1ccccc1C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000362640239 536043874 /nfs/dbraw/zinc/04/38/74/536043874.db2.gz ZZPVOFASEXCBOI-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000361762407 536677429 /nfs/dbraw/zinc/67/74/29/536677429.db2.gz CZPOYZLCVJGDPY-ZOBUZTSGSA-N 2 1 306.450 2.845 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000361762407 536677434 /nfs/dbraw/zinc/67/74/34/536677434.db2.gz CZPOYZLCVJGDPY-ZOBUZTSGSA-N 2 1 306.450 2.845 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261962964 536757139 /nfs/dbraw/zinc/75/71/39/536757139.db2.gz PBHHXFOXTXYXCJ-AAEUAGOBSA-N 2 1 314.376 2.856 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000262036952 536766472 /nfs/dbraw/zinc/76/64/72/536766472.db2.gz OPUDXBZLGHRVHC-GOSISDBHSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)ccc1OC(C)C ZINC000262036952 536766478 /nfs/dbraw/zinc/76/64/78/536766478.db2.gz OPUDXBZLGHRVHC-GOSISDBHSA-N 2 1 304.434 2.668 20 0 DFADMP COCc1ccc(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000355359484 536767794 /nfs/dbraw/zinc/76/77/94/536767794.db2.gz BVIJMYHCEOHBLM-AWEZNQCLSA-N 2 1 303.406 2.614 20 0 DFADMP COCc1ccc(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000355359484 536767800 /nfs/dbraw/zinc/76/78/00/536767800.db2.gz BVIJMYHCEOHBLM-AWEZNQCLSA-N 2 1 303.406 2.614 20 0 DFADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@H+](C)C3)ccc2c1 ZINC000358254574 537038823 /nfs/dbraw/zinc/03/88/23/537038823.db2.gz QALHMXBUTXWPDE-KUHUBIRLSA-N 2 1 314.429 2.566 20 0 DFADMP COc1ccc2cc([C@@H](C)[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)ccc2c1 ZINC000358254574 537038824 /nfs/dbraw/zinc/03/88/24/537038824.db2.gz QALHMXBUTXWPDE-KUHUBIRLSA-N 2 1 314.429 2.566 20 0 DFADMP Cc1ccc2[nH+]ccc(N3CCN([C@@H]4CCC[N@H+](C)C4)CC3)c2c1 ZINC000680623618 545520470 /nfs/dbraw/zinc/52/04/70/545520470.db2.gz ZAYHDGGXNWEJOV-QGZVFWFLSA-N 2 1 324.472 2.759 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cn(C)nc2-c2cccs2)C1 ZINC000680932758 545566149 /nfs/dbraw/zinc/56/61/49/545566149.db2.gz OFEBECOSFQUCIZ-TZMCWYRMSA-N 2 1 304.463 2.578 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cn(C)nc2-c2cccs2)C1 ZINC000680932758 545566153 /nfs/dbraw/zinc/56/61/53/545566153.db2.gz OFEBECOSFQUCIZ-TZMCWYRMSA-N 2 1 304.463 2.578 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000680933435 545566389 /nfs/dbraw/zinc/56/63/89/545566389.db2.gz XGKWASDHFWSJLQ-MLGOLLRUSA-N 2 1 302.397 2.646 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000680933435 545566391 /nfs/dbraw/zinc/56/63/91/545566391.db2.gz XGKWASDHFWSJLQ-MLGOLLRUSA-N 2 1 302.397 2.646 20 0 DFADMP CCN(CCCN1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)CC(F)(F)F ZINC000681209554 545611364 /nfs/dbraw/zinc/61/13/64/545611364.db2.gz SFGOPADVOZGPIN-GJZGRUSLSA-N 2 1 321.431 2.819 20 0 DFADMP CCN(CCCN1CCC[C@H]1[C@@H]1CCC[N@H+]1C)CC(F)(F)F ZINC000681209554 545611367 /nfs/dbraw/zinc/61/13/67/545611367.db2.gz SFGOPADVOZGPIN-GJZGRUSLSA-N 2 1 321.431 2.819 20 0 DFADMP CC[C@]1(C)COCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000681490914 545653373 /nfs/dbraw/zinc/65/33/73/545653373.db2.gz FEOWYXHEZCVZAD-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682076606 545790622 /nfs/dbraw/zinc/79/06/22/545790622.db2.gz XPDFFBOGTLNUTK-AZUAARDMSA-N 2 1 313.489 2.776 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000683719831 546081424 /nfs/dbraw/zinc/08/14/24/546081424.db2.gz BTZJSVUZIZLTBL-LSDHHAIUSA-N 2 1 323.444 2.933 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000683719827 546081844 /nfs/dbraw/zinc/08/18/44/546081844.db2.gz BTZJSVUZIZLTBL-CABCVRRESA-N 2 1 323.444 2.933 20 0 DFADMP CCC[C@]1(CO)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683722403 546081979 /nfs/dbraw/zinc/08/19/79/546081979.db2.gz OPXMYUMUJCGALR-LJQANCHMSA-N 2 1 320.477 2.754 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022721 546137084 /nfs/dbraw/zinc/13/70/84/546137084.db2.gz PFLINJTYYVFZKV-QRQLOZEOSA-N 2 1 313.445 2.851 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022721 546137086 /nfs/dbraw/zinc/13/70/86/546137086.db2.gz PFLINJTYYVFZKV-QRQLOZEOSA-N 2 1 313.445 2.851 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)C1 ZINC000684375868 546204494 /nfs/dbraw/zinc/20/44/94/546204494.db2.gz CMSDZRCPGZLPAL-GVDBMIGSSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Br)cn1 ZINC000684557404 546243589 /nfs/dbraw/zinc/24/35/89/546243589.db2.gz ZSUQCNQRCAVGPF-PWSUYJOCSA-N 2 1 321.222 2.706 20 0 DFADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000684956543 546308894 /nfs/dbraw/zinc/30/88/94/546308894.db2.gz GFEUXNTWQNWWLI-YJBOKZPZSA-N 2 1 315.461 2.550 20 0 DFADMP Cc1ccc(F)c(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457903 546353549 /nfs/dbraw/zinc/35/35/49/546353549.db2.gz RYUFGXAJDJGAOY-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP Cc1ccc(F)c(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000685457903 546353554 /nfs/dbraw/zinc/35/35/54/546353554.db2.gz RYUFGXAJDJGAOY-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C[C@H](O)C1CC1 ZINC000685461871 546354841 /nfs/dbraw/zinc/35/48/41/546354841.db2.gz XBTWVQJEFCJDNE-SFHVURJKSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C[C@H](O)C1CC1 ZINC000685461871 546354843 /nfs/dbraw/zinc/35/48/43/546354843.db2.gz XBTWVQJEFCJDNE-SFHVURJKSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@H](O)C1CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000685461871 546354847 /nfs/dbraw/zinc/35/48/47/546354847.db2.gz XBTWVQJEFCJDNE-SFHVURJKSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@H](O)C1CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000685461871 546354850 /nfs/dbraw/zinc/35/48/50/546354850.db2.gz XBTWVQJEFCJDNE-SFHVURJKSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+](C)C[C@@H](O)C1CC1 ZINC000685461870 546355027 /nfs/dbraw/zinc/35/50/27/546355027.db2.gz XBTWVQJEFCJDNE-GOSISDBHSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+](C)C[C@@H](O)C1CC1 ZINC000685461870 546355029 /nfs/dbraw/zinc/35/50/29/546355029.db2.gz XBTWVQJEFCJDNE-GOSISDBHSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@@H](O)C1CC1)CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000685461870 546355033 /nfs/dbraw/zinc/35/50/33/546355033.db2.gz XBTWVQJEFCJDNE-GOSISDBHSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@@H](O)C1CC1)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000685461870 546355035 /nfs/dbraw/zinc/35/50/35/546355035.db2.gz XBTWVQJEFCJDNE-GOSISDBHSA-N 2 1 304.478 2.847 20 0 DFADMP CN(CCC[N@@H+](C)Cc1coc2ccccc12)CC[NH+](C)C ZINC000685475808 546358748 /nfs/dbraw/zinc/35/87/48/546358748.db2.gz IGALJIKUYDRCJV-UHFFFAOYSA-N 2 1 303.450 2.748 20 0 DFADMP C[N@H+](CCc1cccc(F)c1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577914 546370766 /nfs/dbraw/zinc/37/07/66/546370766.db2.gz PIEVJYZQVQEZAM-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1cccc(F)c1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577914 546370768 /nfs/dbraw/zinc/37/07/68/546370768.db2.gz PIEVJYZQVQEZAM-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928935 282085448 /nfs/dbraw/zinc/08/54/48/282085448.db2.gz VNGWSVXWUMPIME-GQIGUUNPSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928935 282085450 /nfs/dbraw/zinc/08/54/50/282085450.db2.gz VNGWSVXWUMPIME-GQIGUUNPSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928935 282085452 /nfs/dbraw/zinc/08/54/52/282085452.db2.gz VNGWSVXWUMPIME-GQIGUUNPSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000360928935 282085453 /nfs/dbraw/zinc/08/54/53/282085453.db2.gz VNGWSVXWUMPIME-GQIGUUNPSA-N 2 1 322.456 2.854 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH2+]Cc2cccc(C[NH+](C)C)c2)c1 ZINC000278347374 214105128 /nfs/dbraw/zinc/10/51/28/214105128.db2.gz YQNAZGFCFIQUAM-CYBMUJFWSA-N 2 1 316.401 2.979 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](O)c1cc(F)cc(Cl)c1 ZINC000278390457 214135837 /nfs/dbraw/zinc/13/58/37/214135837.db2.gz AHMGRQJJILGPTL-XYPYXGAPSA-N 2 1 314.832 2.831 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278516221 214206173 /nfs/dbraw/zinc/20/61/73/214206173.db2.gz MMQKYOKBRRPBAV-CVEARBPZSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278516221 214206175 /nfs/dbraw/zinc/20/61/75/214206175.db2.gz MMQKYOKBRRPBAV-CVEARBPZSA-N 2 1 308.441 2.847 20 0 DFADMP C[N@@H+](CCN1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccccc1 ZINC000278514157 214204432 /nfs/dbraw/zinc/20/44/32/214204432.db2.gz BTCLZQPJOXZLJF-LJQANCHMSA-N 2 1 301.478 2.536 20 0 DFADMP CCOC(=O)CCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000278536735 214219802 /nfs/dbraw/zinc/21/98/02/214219802.db2.gz FSGWMIBANLMHAY-UHFFFAOYSA-N 2 1 320.433 2.967 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC000443622278 297222776 /nfs/dbraw/zinc/22/27/76/297222776.db2.gz WTHWXCGAGLGXIH-OAHLLOKOSA-N 2 1 311.495 2.693 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC000443622278 297222778 /nfs/dbraw/zinc/22/27/78/297222778.db2.gz WTHWXCGAGLGXIH-OAHLLOKOSA-N 2 1 311.495 2.693 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(CC[NH+](C)Cc2ccccc2)C1 ZINC000278686004 214325050 /nfs/dbraw/zinc/32/50/50/214325050.db2.gz RZTIVAKDRKXVDE-LJQANCHMSA-N 2 1 303.494 2.782 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(CC[N@H+](C)Cc2ccccc2)C1 ZINC000278686004 214325051 /nfs/dbraw/zinc/32/50/51/214325051.db2.gz RZTIVAKDRKXVDE-LJQANCHMSA-N 2 1 303.494 2.782 20 0 DFADMP CCC[NH+](C)C[C@H]1CCN(CC[N@@H+](C)Cc2ccccc2)C1 ZINC000278686004 214325052 /nfs/dbraw/zinc/32/50/52/214325052.db2.gz RZTIVAKDRKXVDE-LJQANCHMSA-N 2 1 303.494 2.782 20 0 DFADMP C[C@@H](C[NH2+]Cc1cc(F)cc(Br)c1)C[NH+](C)C ZINC000310166779 231112568 /nfs/dbraw/zinc/11/25/68/231112568.db2.gz SIUVXIGLPCITLO-JTQLQIEISA-N 2 1 303.219 2.876 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000081481460 398352043 /nfs/dbraw/zinc/35/20/43/398352043.db2.gz WCQYLMZCXMVKNW-INIZCTEOSA-N 2 1 320.481 2.587 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)CCn2cc[nH+]c2C(C)C)C1 ZINC000081481460 398352045 /nfs/dbraw/zinc/35/20/45/398352045.db2.gz WCQYLMZCXMVKNW-INIZCTEOSA-N 2 1 320.481 2.587 20 0 DFADMP CCOc1cccc(CNC[C@H]2CCC[N@@H+]2C)c1OC(F)F ZINC000236942926 398365302 /nfs/dbraw/zinc/36/53/02/398365302.db2.gz BVCWQFNLDKWAHS-CYBMUJFWSA-N 2 1 314.376 2.871 20 0 DFADMP O=C(NCCCCC[NH+]1CCCCC1)[C@H]1C[C@@H]2CCCC[N@H+]2C1 ZINC000081718437 398368246 /nfs/dbraw/zinc/36/82/46/398368246.db2.gz UFSHBEBHLRXDRO-ROUUACIJSA-N 2 1 321.509 2.633 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237673622 398372513 /nfs/dbraw/zinc/37/25/13/398372513.db2.gz CRCDEIDKHSHSKF-SJLPKXTDSA-N 2 1 317.477 2.847 20 0 DFADMP Cc1[nH+]ccn1CCCCNC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237623654 398372858 /nfs/dbraw/zinc/37/28/58/398372858.db2.gz NVVYFRRETNTGLB-QGZVFWFLSA-N 2 1 314.433 2.568 20 0 DFADMP COCc1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)no1 ZINC000459382538 299092690 /nfs/dbraw/zinc/09/26/90/299092690.db2.gz WHNHUPQAQITWKJ-GJZGRUSLSA-N 2 1 309.454 2.669 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000092738770 185337709 /nfs/dbraw/zinc/33/77/09/185337709.db2.gz NCSHMCFOMKZTHY-TZMCWYRMSA-N 2 1 323.506 2.775 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000092738770 185337710 /nfs/dbraw/zinc/33/77/10/185337710.db2.gz NCSHMCFOMKZTHY-TZMCWYRMSA-N 2 1 323.506 2.775 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)c1cccnc1 ZINC000092740061 185337758 /nfs/dbraw/zinc/33/77/58/185337758.db2.gz WJIBNPDORHZGLD-QGZVFWFLSA-N 2 1 324.472 2.680 20 0 DFADMP CO[C@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000459396958 299096165 /nfs/dbraw/zinc/09/61/65/299096165.db2.gz IVFFJXDOZUZKMR-LRDDRELGSA-N 2 1 307.825 2.982 20 0 DFADMP O=C(CC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000181462772 199301002 /nfs/dbraw/zinc/30/10/02/199301002.db2.gz ZFXHJKYIGNYVQB-GOSISDBHSA-N 2 1 316.445 2.538 20 0 DFADMP O=C(CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)OCc1ccccc1 ZINC000181462772 199301004 /nfs/dbraw/zinc/30/10/04/199301004.db2.gz ZFXHJKYIGNYVQB-GOSISDBHSA-N 2 1 316.445 2.538 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797448 529802107 /nfs/dbraw/zinc/80/21/07/529802107.db2.gz NBDZHTLIRMWCLT-GOSISDBHSA-N 2 1 314.408 2.743 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797448 529802109 /nfs/dbraw/zinc/80/21/09/529802109.db2.gz NBDZHTLIRMWCLT-GOSISDBHSA-N 2 1 314.408 2.743 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797448 529802110 /nfs/dbraw/zinc/80/21/10/529802110.db2.gz NBDZHTLIRMWCLT-GOSISDBHSA-N 2 1 314.408 2.743 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C2)C1 ZINC000292797448 529802112 /nfs/dbraw/zinc/80/21/12/529802112.db2.gz NBDZHTLIRMWCLT-GOSISDBHSA-N 2 1 314.408 2.743 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000292812816 529811386 /nfs/dbraw/zinc/81/13/86/529811386.db2.gz OYCHEQJKMOGHGD-IBGZPJMESA-N 2 1 316.445 2.859 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000292812816 529811387 /nfs/dbraw/zinc/81/13/87/529811387.db2.gz OYCHEQJKMOGHGD-IBGZPJMESA-N 2 1 316.445 2.859 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000292812816 529811388 /nfs/dbraw/zinc/81/13/88/529811388.db2.gz OYCHEQJKMOGHGD-IBGZPJMESA-N 2 1 316.445 2.859 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc4c(c3)COC(C)(C)O4)C2)C1 ZINC000292812816 529811389 /nfs/dbraw/zinc/81/13/89/529811389.db2.gz OYCHEQJKMOGHGD-IBGZPJMESA-N 2 1 316.445 2.859 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H]1SC ZINC000459427343 299103659 /nfs/dbraw/zinc/10/36/59/299103659.db2.gz NCJRTEJTLVRNEQ-CAOSSQGBSA-N 2 1 300.512 2.605 20 0 DFADMP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000592379374 398419110 /nfs/dbraw/zinc/41/91/10/398419110.db2.gz MNTKZLDTDJXLBL-QKPAOTATSA-N 2 1 308.466 2.713 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+])Cc1ccccc1 ZINC000309750642 529889353 /nfs/dbraw/zinc/88/93/53/529889353.db2.gz ZFUOZGFDOBPDCR-QZTJIDSGSA-N 2 1 317.477 2.532 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]1SC ZINC000459430924 299104848 /nfs/dbraw/zinc/10/48/48/299104848.db2.gz RZHYDDSWZTWXLQ-MWDXBVQZSA-N 2 1 312.523 2.750 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807464 530064352 /nfs/dbraw/zinc/06/43/52/530064352.db2.gz MUSQRNXHZGPLRQ-GVDBMIGSSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807464 530064353 /nfs/dbraw/zinc/06/43/53/530064353.db2.gz MUSQRNXHZGPLRQ-GVDBMIGSSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807464 530064354 /nfs/dbraw/zinc/06/43/54/530064354.db2.gz MUSQRNXHZGPLRQ-GVDBMIGSSA-N 2 1 314.429 2.882 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807474 530064384 /nfs/dbraw/zinc/06/43/84/530064384.db2.gz MUSQRNXHZGPLRQ-YESZJQIVSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807474 530064385 /nfs/dbraw/zinc/06/43/85/530064385.db2.gz MUSQRNXHZGPLRQ-YESZJQIVSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807474 530064386 /nfs/dbraw/zinc/06/43/86/530064386.db2.gz MUSQRNXHZGPLRQ-YESZJQIVSA-N 2 1 314.429 2.882 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048898 530065331 /nfs/dbraw/zinc/06/53/31/530065331.db2.gz SXTGSAQAGHDRKB-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048898 530065332 /nfs/dbraw/zinc/06/53/32/530065332.db2.gz SXTGSAQAGHDRKB-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3ccc(-n4ccnc4)cc3)C2)C1 ZINC000293048898 530065333 /nfs/dbraw/zinc/06/53/33/530065333.db2.gz SXTGSAQAGHDRKB-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807460 530059191 /nfs/dbraw/zinc/05/91/91/530059191.db2.gz MUSQRNXHZGPLRQ-BRWVUGGUSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807460 530059192 /nfs/dbraw/zinc/05/91/92/530059192.db2.gz MUSQRNXHZGPLRQ-BRWVUGGUSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@H]21 ZINC000292807460 530059193 /nfs/dbraw/zinc/05/91/93/530059193.db2.gz MUSQRNXHZGPLRQ-BRWVUGGUSA-N 2 1 314.429 2.882 20 0 DFADMP CC(C)[C@@H]([NH2+]C1CCN(C2CC2)CC1)c1nnc2ccccn21 ZINC000459468737 299113675 /nfs/dbraw/zinc/11/36/75/299113675.db2.gz RVCPOANDZVLRGI-QGZVFWFLSA-N 2 1 313.449 2.643 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000089627551 398460104 /nfs/dbraw/zinc/46/01/04/398460104.db2.gz MWBVWRVUDYHBHM-WBVHZDCISA-N 2 1 313.445 2.934 20 0 DFADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)CC2)CC1 ZINC000090775281 398492797 /nfs/dbraw/zinc/49/27/97/398492797.db2.gz KOILYRAPPAHLRE-MKCYZYCBSA-N 3 1 307.526 2.959 20 0 DFADMP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)CC2)CC1 ZINC000090775281 398492801 /nfs/dbraw/zinc/49/28/01/398492801.db2.gz KOILYRAPPAHLRE-MKCYZYCBSA-N 3 1 307.526 2.959 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907811 398496218 /nfs/dbraw/zinc/49/62/18/398496218.db2.gz YAPGZLFIAGRORG-WOJBJXKFSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000302907811 398496222 /nfs/dbraw/zinc/49/62/22/398496222.db2.gz YAPGZLFIAGRORG-WOJBJXKFSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000302907811 398496225 /nfs/dbraw/zinc/49/62/25/398496225.db2.gz YAPGZLFIAGRORG-WOJBJXKFSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000302907811 398496229 /nfs/dbraw/zinc/49/62/29/398496229.db2.gz YAPGZLFIAGRORG-WOJBJXKFSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CC[C@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000302907811 398496234 /nfs/dbraw/zinc/49/62/34/398496234.db2.gz YAPGZLFIAGRORG-WOJBJXKFSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000068510037 398509150 /nfs/dbraw/zinc/50/91/50/398509150.db2.gz ZXRNEAHUMQLKSY-MRXNPFEDSA-N 2 1 323.481 2.901 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]C[C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000272681709 210086376 /nfs/dbraw/zinc/08/63/76/210086376.db2.gz NDUJZMLWGAPHQJ-HAGHYFMRSA-N 2 1 314.473 2.913 20 0 DFADMP C[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)OCCc2sccc21 ZINC000459567681 299136164 /nfs/dbraw/zinc/13/61/64/299136164.db2.gz VJODMBHTLYEABO-KRWDZBQOSA-N 2 1 306.475 2.752 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CC(C)(C)[NH+]2CCCCC2)cn1 ZINC000414058213 295762177 /nfs/dbraw/zinc/76/21/77/295762177.db2.gz TVNBJMFHZXQERF-OAHLLOKOSA-N 2 1 305.466 2.875 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2[C@H]2CCC[NH2+]2)c1C ZINC000316392954 398530963 /nfs/dbraw/zinc/53/09/63/398530963.db2.gz LBRNIHPUEGVLTI-WBVHZDCISA-N 2 1 303.450 2.814 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592652 299142721 /nfs/dbraw/zinc/14/27/21/299142721.db2.gz VEZRWJWNOMUJQA-MAUKXSAKSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592652 299142723 /nfs/dbraw/zinc/14/27/23/299142723.db2.gz VEZRWJWNOMUJQA-MAUKXSAKSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592652 299142725 /nfs/dbraw/zinc/14/27/25/299142725.db2.gz VEZRWJWNOMUJQA-MAUKXSAKSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592656 299142899 /nfs/dbraw/zinc/14/28/99/299142899.db2.gz VEZRWJWNOMUJQA-QAPCUYQASA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592656 299142903 /nfs/dbraw/zinc/14/29/03/299142903.db2.gz VEZRWJWNOMUJQA-QAPCUYQASA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CC[C@](C)(C(=O)OC(C)(C)C)C1 ZINC000459592656 299142907 /nfs/dbraw/zinc/14/29/07/299142907.db2.gz VEZRWJWNOMUJQA-QAPCUYQASA-N 2 1 310.482 2.915 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000318732638 398539752 /nfs/dbraw/zinc/53/97/52/398539752.db2.gz UPXGNVIIKLNIEL-UHFFFAOYSA-N 2 1 308.397 2.576 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739742 398543169 /nfs/dbraw/zinc/54/31/69/398543169.db2.gz DBNVKSQLODAJSZ-DYVFJYSZSA-N 2 1 317.408 2.953 20 0 DFADMP CS[C@@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597029742 398550785 /nfs/dbraw/zinc/55/07/85/398550785.db2.gz NFHAAWRJDOVBCA-MRXNPFEDSA-N 2 1 302.447 2.985 20 0 DFADMP CS[C@@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597029742 398550789 /nfs/dbraw/zinc/55/07/89/398550789.db2.gz NFHAAWRJDOVBCA-MRXNPFEDSA-N 2 1 302.447 2.985 20 0 DFADMP CCc1noc(C2CCC([NH2+]CCCn3cc[nH+]c3C)CC2)n1 ZINC000272608029 210005884 /nfs/dbraw/zinc/00/58/84/210005884.db2.gz YTOCGBRDRVCPAP-UHFFFAOYSA-N 2 1 317.437 2.843 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[NH2+][C@@H]2C)cc1 ZINC000277517508 213585060 /nfs/dbraw/zinc/58/50/60/213585060.db2.gz RZJWGFYHRQZCBF-CRAIPNDOSA-N 2 1 317.477 2.789 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@H]([NH3+])c2ccccc2)CC1 ZINC000321559099 398553576 /nfs/dbraw/zinc/55/35/76/398553576.db2.gz FYMKLRHGWROIDU-SFHVURJKSA-N 2 1 317.477 2.655 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1F ZINC000597045982 398554182 /nfs/dbraw/zinc/55/41/82/398554182.db2.gz DBPJNEZRNJNNOX-UHFFFAOYSA-N 2 1 320.408 2.576 20 0 DFADMP CC(C)[C@H](C[NH2+]Cc1ccc([C@H]2C[C@@H]2C)o1)N1CC[NH+](C)CC1 ZINC000236690346 201967256 /nfs/dbraw/zinc/96/72/56/201967256.db2.gz KRIKIKXQJKPKDS-SZMVWBNQSA-N 2 1 319.493 2.765 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCC2)cc1Cl ZINC000597076611 398561125 /nfs/dbraw/zinc/56/11/25/398561125.db2.gz SHAFMAXGZHVWDT-UHFFFAOYSA-N 2 1 310.825 2.702 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@H]21 ZINC000459666493 299159344 /nfs/dbraw/zinc/15/93/44/299159344.db2.gz CFYJHEOMFJLTBG-QZTJIDSGSA-N 2 1 324.428 2.577 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000069754260 398583201 /nfs/dbraw/zinc/58/32/01/398583201.db2.gz GSQFKRNVXVEWGG-UHFFFAOYSA-N 2 1 309.417 2.866 20 0 DFADMP CSC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000590028592 398591405 /nfs/dbraw/zinc/59/14/05/398591405.db2.gz VCVAQKUOJPJGAN-ZWKOTPCHSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000590028592 398591411 /nfs/dbraw/zinc/59/14/11/398591411.db2.gz VCVAQKUOJPJGAN-ZWKOTPCHSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000590028592 398591412 /nfs/dbraw/zinc/59/14/12/398591412.db2.gz VCVAQKUOJPJGAN-ZWKOTPCHSA-N 2 1 322.518 2.554 20 0 DFADMP CSC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000590028592 398591416 /nfs/dbraw/zinc/59/14/16/398591416.db2.gz VCVAQKUOJPJGAN-ZWKOTPCHSA-N 2 1 322.518 2.554 20 0 DFADMP C[C@@H](C1CC1)[N@@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590125136 398598441 /nfs/dbraw/zinc/59/84/41/398598441.db2.gz IXSTYAKSLXRIER-HNAYVOBHSA-N 2 1 302.462 2.742 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]3)c2C1 ZINC000070844770 398601324 /nfs/dbraw/zinc/60/13/24/398601324.db2.gz TYABAJXZZFHDMB-KRWDZBQOSA-N 2 1 301.434 2.739 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCCC[NH+](C(C)C)C(C)C)n1 ZINC000092918786 398607327 /nfs/dbraw/zinc/60/73/27/398607327.db2.gz CDBGWLPMAREOCF-UHFFFAOYSA-N 2 1 316.453 2.892 20 0 DFADMP Cc1noc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821139 398602232 /nfs/dbraw/zinc/60/22/32/398602232.db2.gz IFKHUNOIAWJTBW-UHFFFAOYSA-N 2 1 315.421 2.512 20 0 DFADMP Cc1noc(C[N@@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000092821139 398602235 /nfs/dbraw/zinc/60/22/35/398602235.db2.gz IFKHUNOIAWJTBW-UHFFFAOYSA-N 2 1 315.421 2.512 20 0 DFADMP CSCc1cnc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000590187661 398603910 /nfs/dbraw/zinc/60/39/10/398603910.db2.gz DHDLFYQMSQOTSJ-LLVKDONJSA-N 2 1 308.476 2.555 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCCC[N@H+]2CCCC[C@@H]2C)n1 ZINC000092886266 398604093 /nfs/dbraw/zinc/60/40/93/398604093.db2.gz BFUZZDTYYWBLFF-AWEZNQCLSA-N 2 1 314.437 2.647 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000092886266 398604097 /nfs/dbraw/zinc/60/40/97/398604097.db2.gz BFUZZDTYYWBLFF-AWEZNQCLSA-N 2 1 314.437 2.647 20 0 DFADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000597243730 398604961 /nfs/dbraw/zinc/60/49/61/398604961.db2.gz VPGWYAIFJYOVPR-OWLYRPNTSA-N 2 1 316.445 2.581 20 0 DFADMP COC(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000597243730 398604966 /nfs/dbraw/zinc/60/49/66/398604966.db2.gz VPGWYAIFJYOVPR-OWLYRPNTSA-N 2 1 316.445 2.581 20 0 DFADMP COC1CCC([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CC1 ZINC000459693450 299166261 /nfs/dbraw/zinc/16/62/61/299166261.db2.gz WJVVHQRIIMCFIN-UHFFFAOYSA-N 2 1 323.506 2.957 20 0 DFADMP COC1CCC([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CC1 ZINC000459693450 299166266 /nfs/dbraw/zinc/16/62/66/299166266.db2.gz WJVVHQRIIMCFIN-UHFFFAOYSA-N 2 1 323.506 2.957 20 0 DFADMP c1cn(-c2ccc(C[N@@H+]3CC[C@H](C[NH+]4CCCC4)C3)cc2)cn1 ZINC000150805641 186067312 /nfs/dbraw/zinc/06/73/12/186067312.db2.gz LYHKIVRPOPBVFI-GOSISDBHSA-N 2 1 310.445 2.790 20 0 DFADMP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000280009524 215310050 /nfs/dbraw/zinc/31/00/50/215310050.db2.gz SKJSQTMFGIJJTG-UONOGXRCSA-N 2 1 306.450 2.880 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)cc1 ZINC000152447135 186073938 /nfs/dbraw/zinc/07/39/38/186073938.db2.gz NEHOZULLCXBIBN-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[NH+](C)C[C@H]2CCC[N@H+](C)C2)cc1 ZINC000152447135 186073939 /nfs/dbraw/zinc/07/39/39/186073939.db2.gz NEHOZULLCXBIBN-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000152447135 186073941 /nfs/dbraw/zinc/07/39/41/186073941.db2.gz NEHOZULLCXBIBN-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000152493591 186078969 /nfs/dbraw/zinc/07/89/69/186078969.db2.gz AEWCKCUZRREUIM-RVKKMQEKSA-N 2 1 306.450 2.782 20 0 DFADMP CCOC(=O)CC[NH2+]C1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000189952022 186253939 /nfs/dbraw/zinc/25/39/39/186253939.db2.gz PEEQYMVNRAAWJC-MCPYQZEQSA-N 2 1 318.461 2.686 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746019 186376120 /nfs/dbraw/zinc/37/61/20/186376120.db2.gz ASPFXPKJBZQZGK-DFQSSKMNSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746019 186376121 /nfs/dbraw/zinc/37/61/21/186376121.db2.gz ASPFXPKJBZQZGK-DFQSSKMNSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268746019 186376122 /nfs/dbraw/zinc/37/61/22/186376122.db2.gz ASPFXPKJBZQZGK-DFQSSKMNSA-N 2 1 315.505 2.828 20 0 DFADMP Cc1noc(C[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)c2ccccc2)n1 ZINC000277248996 213394748 /nfs/dbraw/zinc/39/47/48/213394748.db2.gz QBNUZTDKRFAWGO-SJORKVTESA-N 2 1 314.433 2.736 20 0 DFADMP Cc1noc(C[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)c2ccccc2)n1 ZINC000277248996 213394751 /nfs/dbraw/zinc/39/47/51/213394751.db2.gz QBNUZTDKRFAWGO-SJORKVTESA-N 2 1 314.433 2.736 20 0 DFADMP CC(C)(C)[NH2+]CCN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000414762742 295819624 /nfs/dbraw/zinc/81/96/24/295819624.db2.gz WPOQUIAGTOYLKK-UHFFFAOYSA-N 2 1 304.482 2.787 20 0 DFADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c(OC(F)F)c1 ZINC000414826081 295822568 /nfs/dbraw/zinc/82/25/68/295822568.db2.gz IILFYPMBPOBVJF-FUNVUKJBSA-N 2 1 312.360 2.669 20 0 DFADMP C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)[C@H]1CCC[NH2+]C1 ZINC000414823092 295822244 /nfs/dbraw/zinc/82/22/44/295822244.db2.gz AVOJEWYITCHXBM-RYUDHWBXSA-N 2 1 306.841 2.704 20 0 DFADMP Cc1cc(Br)c(C[NH2+]C[C@@H]2CCC[NH2+]C2)s1 ZINC000414849053 295825866 /nfs/dbraw/zinc/82/58/66/295825866.db2.gz HCGBNQRCUASPCZ-SNVBAGLBSA-N 2 1 303.269 2.908 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1O ZINC000277232603 213382748 /nfs/dbraw/zinc/38/27/48/213382748.db2.gz NHTCKJUYHKBBII-CQSZACIVSA-N 2 1 317.433 2.907 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000414924393 295835633 /nfs/dbraw/zinc/83/56/33/295835633.db2.gz KCUFRFWZHFERED-NEPJUHHUSA-N 2 1 313.239 2.817 20 0 DFADMP CCCOc1c(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cccc1OCC ZINC000414955599 295840385 /nfs/dbraw/zinc/84/03/85/295840385.db2.gz MEIXQWTUMGDMFW-GOEBONIOSA-N 2 1 306.450 2.962 20 0 DFADMP COc1cc2c(NC[C@H](C)[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000280122083 215391898 /nfs/dbraw/zinc/39/18/98/215391898.db2.gz WVEHXVQOSHCOQY-LBPRGKRZSA-N 2 1 319.380 2.515 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786278 398673659 /nfs/dbraw/zinc/67/36/59/398673659.db2.gz LZPZEZLZIONIIP-HZPDHXFCSA-N 2 1 311.514 2.732 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000590786999 398674239 /nfs/dbraw/zinc/67/42/39/398674239.db2.gz QCHMZFZLTIUVKV-IAGOWNOFSA-N 2 1 323.525 2.543 20 0 DFADMP COc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000459777243 299189545 /nfs/dbraw/zinc/18/95/45/299189545.db2.gz KJCXRINAPSIYFB-OAHLLOKOSA-N 2 1 306.450 2.834 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]CCSCc1ccccc1 ZINC000414997975 295845519 /nfs/dbraw/zinc/84/55/19/295845519.db2.gz IIHKZGMSBGBKCI-AWEZNQCLSA-N 2 1 300.418 2.754 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)s1 ZINC000593734052 398679096 /nfs/dbraw/zinc/67/90/96/398679096.db2.gz SCLMNGSFAJVBQP-SMDDNHRTSA-N 2 1 310.463 2.792 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+]Cc1ccccc1OCC1CC1 ZINC000415004013 295846530 /nfs/dbraw/zinc/84/65/30/295846530.db2.gz NPIPPWFUUDPGNM-OAHLLOKOSA-N 2 1 310.388 2.810 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCC1 ZINC000102950150 398681460 /nfs/dbraw/zinc/68/14/60/398681460.db2.gz FEOYMSTXMQCWLJ-RTBURBONSA-N 2 1 302.462 2.744 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1C1CCC1 ZINC000102950150 398681467 /nfs/dbraw/zinc/68/14/67/398681467.db2.gz FEOYMSTXMQCWLJ-RTBURBONSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000102950150 398681471 /nfs/dbraw/zinc/68/14/71/398681471.db2.gz FEOYMSTXMQCWLJ-RTBURBONSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1C1CCC1 ZINC000102950150 398681473 /nfs/dbraw/zinc/68/14/73/398681473.db2.gz FEOYMSTXMQCWLJ-RTBURBONSA-N 2 1 302.462 2.744 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c(Cl)c1 ZINC000415012372 295847410 /nfs/dbraw/zinc/84/74/10/295847410.db2.gz XAPWKQWNPFSYIN-NSHDSACASA-N 2 1 304.768 2.683 20 0 DFADMP Cn1cc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000590819500 398681504 /nfs/dbraw/zinc/68/15/04/398681504.db2.gz RLFJEZMXXKAJBP-IBGZPJMESA-N 2 1 318.509 2.941 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)o2)C1 ZINC000459787744 299193279 /nfs/dbraw/zinc/19/32/79/299193279.db2.gz PXEGGEGECCGBOM-LLVKDONJSA-N 2 1 301.228 2.864 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@@H](C)c2ccccc2)CC1 ZINC000173620782 198233358 /nfs/dbraw/zinc/23/33/58/198233358.db2.gz VODBHLKGGBXHDV-JKSUJKDBSA-N 2 1 317.477 2.715 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(F)c1Br ZINC000401656811 398688554 /nfs/dbraw/zinc/68/85/54/398688554.db2.gz VBYMAPKNTOCZAA-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CO1 ZINC000401870357 398688993 /nfs/dbraw/zinc/68/89/93/398688993.db2.gz BLLUCVAOPBBQTC-GYFISPQKSA-N 2 1 300.446 2.664 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2c(F)cccc2Cl)CC1 ZINC000105476858 398693591 /nfs/dbraw/zinc/69/35/91/398693591.db2.gz FAPVDTSOBCOHPO-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP COCc1cccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000174315774 198319366 /nfs/dbraw/zinc/31/93/66/198319366.db2.gz ZFOHJYLACICPTO-CALCHBBNSA-N 2 1 320.477 2.812 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000174653155 198365259 /nfs/dbraw/zinc/36/52/59/198365259.db2.gz WTKHFDOEQFXGKK-UHFFFAOYSA-N 2 1 317.477 2.744 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000108462052 398710748 /nfs/dbraw/zinc/71/07/48/398710748.db2.gz DXHKNUDUYVZQLX-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H](c1ccccc1)[NH+](C)C ZINC000355790055 299211456 /nfs/dbraw/zinc/21/14/56/299211456.db2.gz HRXFRWYECGELJL-ONIAQPFYSA-N 2 1 317.477 2.524 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000236794527 202010873 /nfs/dbraw/zinc/01/08/73/202010873.db2.gz DWGUWSJLDCCKKG-UHFFFAOYSA-N 2 1 303.450 2.998 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129575670 283021626 /nfs/dbraw/zinc/02/16/26/283021626.db2.gz GTZPDPCQCPNSEY-JTDSTZFVSA-N 2 1 312.461 2.733 20 0 DFADMP Fc1ccccc1CC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000681115421 545599639 /nfs/dbraw/zinc/59/96/39/545599639.db2.gz PZNMNOLNMMSFFN-KRWDZBQOSA-N 2 1 306.425 2.601 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[NH+](C)C3)cc2)C1 ZINC000591096322 398726709 /nfs/dbraw/zinc/72/67/09/398726709.db2.gz CVAASAKSJYSBAU-WBVHZDCISA-N 2 1 315.461 2.809 20 0 DFADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@H+](C)C3)cc2)C1 ZINC000591096322 398726714 /nfs/dbraw/zinc/72/67/14/398726714.db2.gz CVAASAKSJYSBAU-WBVHZDCISA-N 2 1 315.461 2.809 20 0 DFADMP C[C@@H]1CCC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)cc2)C1 ZINC000591096322 398726718 /nfs/dbraw/zinc/72/67/18/398726718.db2.gz CVAASAKSJYSBAU-WBVHZDCISA-N 2 1 315.461 2.809 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000073418225 191314664 /nfs/dbraw/zinc/31/46/64/191314664.db2.gz HACZJQMFBRIUTP-INIZCTEOSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[C@@H]1C[NH+](CCCC[N@H+]2CCO[C@H](CCC)C2)CCO1 ZINC000131324869 283080197 /nfs/dbraw/zinc/08/01/97/283080197.db2.gz CGNLXVLGRNSYIP-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP C[NH+](C)C[C@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000131481796 283087565 /nfs/dbraw/zinc/08/75/65/283087565.db2.gz AAEULRAGVVUTPP-QGZVFWFLSA-N 2 1 322.449 2.956 20 0 DFADMP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000378523386 283115799 /nfs/dbraw/zinc/11/57/99/283115799.db2.gz ZWBWRNJNVSHWLU-UAFMIMERSA-N 2 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000378523386 283115803 /nfs/dbraw/zinc/11/58/03/283115803.db2.gz ZWBWRNJNVSHWLU-UAFMIMERSA-N 2 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H]1c1ccccc1 ZINC000378523386 283115807 /nfs/dbraw/zinc/11/58/07/283115807.db2.gz ZWBWRNJNVSHWLU-UAFMIMERSA-N 2 1 313.489 2.896 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC000081363260 192256829 /nfs/dbraw/zinc/25/68/29/192256829.db2.gz YWGUSXVJMZLQGV-QGZVFWFLSA-N 2 1 317.477 2.552 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCC2 ZINC000591578246 398773202 /nfs/dbraw/zinc/77/32/02/398773202.db2.gz GKBXNJOEAPCZQH-KBPBESRZSA-N 2 1 320.433 2.874 20 0 DFADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591741515 398784001 /nfs/dbraw/zinc/78/40/01/398784001.db2.gz QTDDDDCRBAKWAY-RCCFBDPRSA-N 2 1 322.518 2.743 20 0 DFADMP CS[C@@H]1CCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591741515 398784002 /nfs/dbraw/zinc/78/40/02/398784002.db2.gz QTDDDDCRBAKWAY-RCCFBDPRSA-N 2 1 322.518 2.743 20 0 DFADMP CC[NH2+]CC1CCN(C(=O)[C@H](c2ccccc2)[N@@H+](C)CC)CC1 ZINC000237020932 202125538 /nfs/dbraw/zinc/12/55/38/202125538.db2.gz JXWVRMNRFBEUBG-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP C[N@@H+](CCCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2)C1CCCCC1 ZINC000237066311 202141376 /nfs/dbraw/zinc/14/13/76/202141376.db2.gz UPCQFJQUAJOOLR-ALOPSCKCSA-N 2 1 321.509 2.678 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH3+])CCCCC2)C1 ZINC000237052766 202136735 /nfs/dbraw/zinc/13/67/35/202136735.db2.gz SMYQYYOINHQVEV-HNNXBMFYSA-N 2 1 309.498 2.665 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000138728976 283258189 /nfs/dbraw/zinc/25/81/89/283258189.db2.gz KCECOHMNUZFVJT-IAGOWNOFSA-N 2 1 300.450 2.772 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccccc2N(C)C)CC1 ZINC000179404303 199030440 /nfs/dbraw/zinc/03/04/40/199030440.db2.gz NIRTXQPBTPIXAQ-HNNXBMFYSA-N 2 1 305.466 2.514 20 0 DFADMP CC(C)[C@@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C(=O)OC(C)(C)C ZINC000594517470 398814718 /nfs/dbraw/zinc/81/47/18/398814718.db2.gz CFKJUAUKJZBCMI-OAHLLOKOSA-N 2 1 321.465 2.851 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@@H]1C ZINC000354571115 291122087 /nfs/dbraw/zinc/12/20/87/291122087.db2.gz LKHLSAAWQKCDCV-BDXSIMOUSA-N 2 1 324.509 2.922 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)c(C)o1 ZINC000594599626 398828135 /nfs/dbraw/zinc/82/81/35/398828135.db2.gz ILCFWGMRRNNGNV-CYBMUJFWSA-N 2 1 308.422 2.586 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000276688064 213047229 /nfs/dbraw/zinc/04/72/29/213047229.db2.gz UICUGGZLMUSZQG-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000276688064 213047233 /nfs/dbraw/zinc/04/72/33/213047233.db2.gz UICUGGZLMUSZQG-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP COc1cccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1OC ZINC000276685481 213046593 /nfs/dbraw/zinc/04/65/93/213046593.db2.gz IUXGUUQJXUPOKI-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCOCCOCc2ccccc2)CC[N@H+]1C ZINC000180231662 199134293 /nfs/dbraw/zinc/13/42/93/199134293.db2.gz DKPMOLWIJGSOEV-IEBWSBKVSA-N 2 1 320.477 2.682 20 0 DFADMP C[C@H](CNC(=O)CCCCCC[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000237391995 202252769 /nfs/dbraw/zinc/25/27/69/202252769.db2.gz HQHXSUVORHBJIX-CQSZACIVSA-N 2 1 323.506 2.520 20 0 DFADMP C[C@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCc2sccc2C1 ZINC000237391995 202252772 /nfs/dbraw/zinc/25/27/72/202252772.db2.gz HQHXSUVORHBJIX-CQSZACIVSA-N 2 1 323.506 2.520 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1C ZINC000594978234 398885492 /nfs/dbraw/zinc/88/54/92/398885492.db2.gz REGGVALTVFSOBV-HPFXQQBRSA-N 2 1 322.493 2.961 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1C ZINC000594978234 398885495 /nfs/dbraw/zinc/88/54/95/398885495.db2.gz REGGVALTVFSOBV-HPFXQQBRSA-N 2 1 322.493 2.961 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@H](C)C1 ZINC000595099530 398905433 /nfs/dbraw/zinc/90/54/33/398905433.db2.gz NJFWSHOXHSSWFI-CABCVRRESA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC000599019862 398907982 /nfs/dbraw/zinc/90/79/82/398907982.db2.gz NQBFSUANXGYNPP-JCYILVPMSA-N 2 1 310.482 2.818 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCCC[C@H]2CC(C)C)CC1 ZINC000077657424 398916737 /nfs/dbraw/zinc/91/67/37/398916737.db2.gz OBDRRGUEISKDBL-SFHVURJKSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cccc(F)c2F)C[C@H](C)O1 ZINC000237668716 202322629 /nfs/dbraw/zinc/32/26/29/202322629.db2.gz FBFWVXXPRMPEOM-OKILXGFUSA-N 2 1 312.404 2.944 20 0 DFADMP C[C@H]1CCC[N@@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000151086051 398923934 /nfs/dbraw/zinc/92/39/34/398923934.db2.gz IFNGAQCESKMCRA-AWEZNQCLSA-N 2 1 317.468 2.816 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000151086051 398923937 /nfs/dbraw/zinc/92/39/37/398923937.db2.gz IFNGAQCESKMCRA-AWEZNQCLSA-N 2 1 317.468 2.816 20 0 DFADMP c1ccc2c(c1)[nH+]ccc2N1CCC[N@H+](C2CCOCC2)CC1 ZINC000077990146 398933229 /nfs/dbraw/zinc/93/32/29/398933229.db2.gz ZBXKTDMHMURDHL-UHFFFAOYSA-N 2 1 311.429 2.926 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(Cl)c1 ZINC000153748368 398937400 /nfs/dbraw/zinc/93/74/00/398937400.db2.gz CQVDYDXGMVUVRK-ZDUSSCGKSA-N 2 1 314.857 2.968 20 0 DFADMP COC(=O)CCCC[N@H+]1CCC[C@H](C[NH+]2CCC(C)CC2)C1 ZINC000599277295 398946480 /nfs/dbraw/zinc/94/64/80/398946480.db2.gz LCYZZKUMJCZUQJ-KRWDZBQOSA-N 2 1 310.482 2.774 20 0 DFADMP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[N@H+]2C)c1 ZINC000599322740 398954071 /nfs/dbraw/zinc/95/40/71/398954071.db2.gz JCGXRVZVMFJOHO-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000158658066 398959346 /nfs/dbraw/zinc/95/93/46/398959346.db2.gz OVBRHDCNFYAUKM-GASCZTMLSA-N 2 1 317.468 2.674 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000271901792 209310621 /nfs/dbraw/zinc/31/06/21/209310621.db2.gz VUXUBLVDJVCAMB-OAHLLOKOSA-N 2 1 313.445 2.726 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882571 209291432 /nfs/dbraw/zinc/29/14/32/209291432.db2.gz VMLKWHQZMUEKPZ-RHSMWYFYSA-N 2 1 300.450 2.735 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882571 209291436 /nfs/dbraw/zinc/29/14/36/209291436.db2.gz VMLKWHQZMUEKPZ-RHSMWYFYSA-N 2 1 300.450 2.735 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882571 209291439 /nfs/dbraw/zinc/29/14/39/209291439.db2.gz VMLKWHQZMUEKPZ-RHSMWYFYSA-N 2 1 300.450 2.735 20 0 DFADMP COC(=O)[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150592 398972421 /nfs/dbraw/zinc/97/24/21/398972421.db2.gz FDHDPVPMYQHFLL-QFBILLFUSA-N 2 1 318.461 2.580 20 0 DFADMP O[C@@H]1CC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193349155 201034860 /nfs/dbraw/zinc/03/48/60/201034860.db2.gz UVUYSVDQSNTNHD-DZJYIKFMSA-N 2 1 314.473 2.933 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]2C1 ZINC000193608423 201085047 /nfs/dbraw/zinc/08/50/47/201085047.db2.gz LAWWGYTTXMGBAT-OKILXGFUSA-N 2 1 314.351 2.621 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]2C1 ZINC000193608423 201085051 /nfs/dbraw/zinc/08/50/51/201085051.db2.gz LAWWGYTTXMGBAT-OKILXGFUSA-N 2 1 314.351 2.621 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]2C1 ZINC000193608423 201085054 /nfs/dbraw/zinc/08/50/54/201085054.db2.gz LAWWGYTTXMGBAT-OKILXGFUSA-N 2 1 314.351 2.621 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCC(F)(F)F)c3)C[C@@H]2C1 ZINC000193608423 201085058 /nfs/dbraw/zinc/08/50/58/201085058.db2.gz LAWWGYTTXMGBAT-OKILXGFUSA-N 2 1 314.351 2.621 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475947 216327524 /nfs/dbraw/zinc/32/75/24/216327524.db2.gz FLNXZDNSWZIPEX-RDTXWAMCSA-N 2 1 321.440 2.762 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H](c2cncc(F)c2)C2CC2)CCCO1 ZINC000281475947 216327526 /nfs/dbraw/zinc/32/75/26/216327526.db2.gz FLNXZDNSWZIPEX-RDTXWAMCSA-N 2 1 321.440 2.762 20 0 DFADMP CCc1ccccc1NC(=O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056524500 398977504 /nfs/dbraw/zinc/97/75/04/398977504.db2.gz YQQUSFROOBRXQL-UHFFFAOYSA-N 2 1 317.477 2.851 20 0 DFADMP C[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000604885262 398980121 /nfs/dbraw/zinc/98/01/21/398980121.db2.gz UPGNNULJAPXHAW-MJGOQNOKSA-N 2 1 301.478 2.502 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(Cc2noc3c2CCCC3)C1 ZINC000595577552 398981236 /nfs/dbraw/zinc/98/12/36/398981236.db2.gz SCGIBCFXCBCBKS-AWEZNQCLSA-N 2 1 300.406 2.895 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281562798 216386123 /nfs/dbraw/zinc/38/61/23/216386123.db2.gz CWHYNYIDKRHPGJ-IRXDYDNUSA-N 2 1 303.381 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000281562798 216386125 /nfs/dbraw/zinc/38/61/25/216386125.db2.gz CWHYNYIDKRHPGJ-IRXDYDNUSA-N 2 1 303.381 2.529 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CCN(c3ccc(F)cc3F)CC2)CC1 ZINC000271836459 209255170 /nfs/dbraw/zinc/25/51/70/209255170.db2.gz FYRWOXQZPREBHT-UHFFFAOYSA-N 2 1 321.415 2.785 20 0 DFADMP CCC[C@@H](C)C[N@@H+](C)C[C@@H]1C[C@H](F)CN1Cc1nccn1C ZINC000475086181 299342466 /nfs/dbraw/zinc/34/24/66/299342466.db2.gz LJYKJUJBYZAYRR-PMPSAXMXSA-N 2 1 310.461 2.701 20 0 DFADMP C[C@H]1[C@H](NC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000293613244 291309865 /nfs/dbraw/zinc/30/98/65/291309865.db2.gz GRDXMSPIFFCHCT-QFBILLFUSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1[C@H](NC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000293613244 291309868 /nfs/dbraw/zinc/30/98/68/291309868.db2.gz GRDXMSPIFFCHCT-QFBILLFUSA-N 2 1 301.478 2.723 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000417951268 296065866 /nfs/dbraw/zinc/06/58/66/296065866.db2.gz YNZWNWCHLIKKCQ-WMLDXEAASA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n(C)n1 ZINC000417951268 296065868 /nfs/dbraw/zinc/06/58/68/296065868.db2.gz YNZWNWCHLIKKCQ-WMLDXEAASA-N 2 1 318.490 2.963 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C[C@H](C)O1 ZINC000245918968 288560670 /nfs/dbraw/zinc/56/06/70/288560670.db2.gz QBTGUJBGTCQORQ-BJWYYQGGSA-N 2 1 310.482 2.567 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@H]2CCC[C@H]21 ZINC000599653082 399044721 /nfs/dbraw/zinc/04/47/21/399044721.db2.gz IUSGPXOWSRMGPH-BBWFWOEESA-N 2 1 308.466 2.526 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C(=O)OC)C1CC1 ZINC000599659146 399048683 /nfs/dbraw/zinc/04/86/83/399048683.db2.gz DBPNHNRCQVZMGA-QGZVFWFLSA-N 2 1 304.434 2.522 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(-n2cccn2)c(F)c1 ZINC000293027653 223358778 /nfs/dbraw/zinc/35/87/78/223358778.db2.gz RFUXEAXDJGIKIX-CYBMUJFWSA-N 2 1 313.380 2.867 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cccc(Br)n1 ZINC000293043073 223367448 /nfs/dbraw/zinc/36/74/48/223367448.db2.gz FGCKIOMQJPCDMU-UHFFFAOYSA-N 2 1 323.238 2.871 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cccc(Br)n1 ZINC000293043073 223367450 /nfs/dbraw/zinc/36/74/50/223367450.db2.gz FGCKIOMQJPCDMU-UHFFFAOYSA-N 2 1 323.238 2.871 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c2ccccc21 ZINC000621749882 399066521 /nfs/dbraw/zinc/06/65/21/399066521.db2.gz DRGWTBWUJDKMTI-QAPCUYQASA-N 2 1 313.445 2.558 20 0 DFADMP [NH3+][C@@]12CCC[C@@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780944 399076440 /nfs/dbraw/zinc/07/64/40/399076440.db2.gz XNYHHATWOYSJJK-OXQOHEQNSA-N 2 1 323.440 2.982 20 0 DFADMP [NH3+][C@@]12CCC[C@@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780944 399076446 /nfs/dbraw/zinc/07/64/46/399076446.db2.gz XNYHHATWOYSJJK-OXQOHEQNSA-N 2 1 323.440 2.982 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)cc1 ZINC000275188055 212183418 /nfs/dbraw/zinc/18/34/18/212183418.db2.gz YRBZZTLVZHVISI-CRAIPNDOSA-N 2 1 317.477 2.646 20 0 DFADMP CN1CCC([N@@H+](CCO)Cc2cc3ccccc3s2)CC1 ZINC000305225651 284043091 /nfs/dbraw/zinc/04/30/91/284043091.db2.gz VRHXHQVHSBOFTA-UHFFFAOYSA-N 2 1 304.459 2.790 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC([C@@H](O)C(F)(F)F)CC1 ZINC000305742403 284051242 /nfs/dbraw/zinc/05/12/42/284051242.db2.gz SOPLXLCKSNYNSS-CQSZACIVSA-N 2 1 319.371 2.607 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H](c1ccccc1)C(C)(C)CO ZINC000305770066 284051892 /nfs/dbraw/zinc/05/18/92/284051892.db2.gz NGYHKMHYYKQSLX-BPQIPLTHSA-N 2 1 304.478 2.719 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000419285167 296131689 /nfs/dbraw/zinc/13/16/89/296131689.db2.gz DHDODLHNYKQTCP-NVXWUHKLSA-N 2 1 321.509 2.773 20 0 DFADMP Cn1nccc1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000093006835 193193316 /nfs/dbraw/zinc/19/33/16/193193316.db2.gz KDNWIZNKWZLUMO-UHFFFAOYSA-N 2 1 312.461 2.764 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CCC[NH2+]2)cc1 ZINC000261715560 203099870 /nfs/dbraw/zinc/09/98/70/203099870.db2.gz MVJUXCPAHFLLTF-WMLDXEAASA-N 2 1 301.434 2.752 20 0 DFADMP CO[C@H](CC(C)C)C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000419315832 296134481 /nfs/dbraw/zinc/13/44/81/296134481.db2.gz WPGZBHSDXIRIDN-RTBURBONSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1 ZINC000419315832 296134482 /nfs/dbraw/zinc/13/44/82/296134482.db2.gz WPGZBHSDXIRIDN-RTBURBONSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000419315832 296134483 /nfs/dbraw/zinc/13/44/83/296134483.db2.gz WPGZBHSDXIRIDN-RTBURBONSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@H](CC(C)C)C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000419315832 296134485 /nfs/dbraw/zinc/13/44/85/296134485.db2.gz WPGZBHSDXIRIDN-RTBURBONSA-N 2 1 319.493 2.896 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)c1ccc(NC(N)=O)cc1 ZINC000249309241 299399003 /nfs/dbraw/zinc/39/90/03/299399003.db2.gz KTWNSCDYSKBKOB-RSUWNVLCSA-N 2 1 304.438 2.557 20 0 DFADMP Cc1ncccc1OC[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000419384637 296138351 /nfs/dbraw/zinc/13/83/51/296138351.db2.gz GQMMJIMGQFPSCE-DLBZAZTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1OC[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000419384637 296138352 /nfs/dbraw/zinc/13/83/52/296138352.db2.gz GQMMJIMGQFPSCE-DLBZAZTESA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1OC[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000419384637 296138353 /nfs/dbraw/zinc/13/83/53/296138353.db2.gz GQMMJIMGQFPSCE-DLBZAZTESA-N 2 1 303.450 2.718 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]3)cc2)C1 ZINC000262099509 203198902 /nfs/dbraw/zinc/19/89/02/203198902.db2.gz ZEABPLVSIGIZLD-WMLDXEAASA-N 2 1 301.434 2.609 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C/C(C)=C/c3ccccc3)C2)CC1 ZINC000093133073 193206099 /nfs/dbraw/zinc/20/60/99/193206099.db2.gz OLEZVVARVHRXPV-POLXVDLBSA-N 2 1 313.489 2.802 20 0 DFADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340196435 284158658 /nfs/dbraw/zinc/15/86/58/284158658.db2.gz HOJANYLGAIHULG-CGTJXYLNSA-N 2 1 317.477 2.716 20 0 DFADMP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340196435 284158659 /nfs/dbraw/zinc/15/86/59/284158659.db2.gz HOJANYLGAIHULG-CGTJXYLNSA-N 2 1 317.477 2.716 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000262647006 203363907 /nfs/dbraw/zinc/36/39/07/203363907.db2.gz KGHCUOHUSQLLFM-FUHWJXTLSA-N 2 1 317.477 2.766 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093693200 193291109 /nfs/dbraw/zinc/29/11/09/193291109.db2.gz QSPONNMAUNZTBW-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093693200 193291111 /nfs/dbraw/zinc/29/11/11/193291111.db2.gz QSPONNMAUNZTBW-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP COCCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093644885 193282301 /nfs/dbraw/zinc/28/23/01/193282301.db2.gz WOIJVLIEQIBSRF-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093644885 193282302 /nfs/dbraw/zinc/28/23/02/193282302.db2.gz WOIJVLIEQIBSRF-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644885 193282304 /nfs/dbraw/zinc/28/23/04/193282304.db2.gz WOIJVLIEQIBSRF-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644885 193282305 /nfs/dbraw/zinc/28/23/05/193282305.db2.gz WOIJVLIEQIBSRF-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660018 193284498 /nfs/dbraw/zinc/28/44/98/193284498.db2.gz UEMOQQLYKYWCCN-SFHVURJKSA-N 2 1 303.450 2.951 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000093660018 193284500 /nfs/dbraw/zinc/28/45/00/193284500.db2.gz UEMOQQLYKYWCCN-SFHVURJKSA-N 2 1 303.450 2.951 20 0 DFADMP CC(=O)Nc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000093660018 193284502 /nfs/dbraw/zinc/28/45/02/193284502.db2.gz UEMOQQLYKYWCCN-SFHVURJKSA-N 2 1 303.450 2.951 20 0 DFADMP CC(=O)Nc1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000093660018 193284504 /nfs/dbraw/zinc/28/45/04/193284504.db2.gz UEMOQQLYKYWCCN-SFHVURJKSA-N 2 1 303.450 2.951 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1cccnc1 ZINC000093660147 193284786 /nfs/dbraw/zinc/28/47/86/193284786.db2.gz FPSWWJNJNIKNMA-QGZVFWFLSA-N 2 1 313.449 2.778 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1c[nH]nc1-c1cccnc1 ZINC000093660147 193284788 /nfs/dbraw/zinc/28/47/88/193284788.db2.gz FPSWWJNJNIKNMA-QGZVFWFLSA-N 2 1 313.449 2.778 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1c[nH]nc1-c1cccnc1 ZINC000093660147 193284790 /nfs/dbraw/zinc/28/47/90/193284790.db2.gz FPSWWJNJNIKNMA-QGZVFWFLSA-N 2 1 313.449 2.778 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1c[nH]nc1-c1cccnc1 ZINC000093660147 193284791 /nfs/dbraw/zinc/28/47/91/193284791.db2.gz FPSWWJNJNIKNMA-QGZVFWFLSA-N 2 1 313.449 2.778 20 0 DFADMP C[C@@H]([NH2+]C1CCC(O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274925762 212037917 /nfs/dbraw/zinc/03/79/17/212037917.db2.gz PUAXHTIDCGBMRS-SVUBNXHSSA-N 2 1 302.462 2.790 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cs1 ZINC000595911700 399132727 /nfs/dbraw/zinc/13/27/27/399132727.db2.gz VPKYNGUKFCVGOY-TZMCWYRMSA-N 2 1 310.463 2.874 20 0 DFADMP [NH3+][C@@H]1CCCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000420108899 296158838 /nfs/dbraw/zinc/15/88/38/296158838.db2.gz CTIRJXHRNYTOLJ-LLVKDONJSA-N 2 1 306.207 2.925 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)c3ccc(C)cc3)C2)CC1 ZINC000600117269 399141732 /nfs/dbraw/zinc/14/17/32/399141732.db2.gz KGPHQSHKXSKASE-AZUAARDMSA-N 2 1 315.505 2.810 20 0 DFADMP [NH3+][C@H](CNc1cc[nH+]c2ccc(Br)cc12)C1CC1 ZINC000420216190 296162862 /nfs/dbraw/zinc/16/28/62/296162862.db2.gz CFVZNCZWXCTCSE-GFCCVEGCSA-N 2 1 306.207 2.568 20 0 DFADMP COCC[NH2+]CCNc1cc[nH+]c2cc(Br)ccc12 ZINC000420231085 296164149 /nfs/dbraw/zinc/16/41/49/296164149.db2.gz ZNGWNHWAIICMPT-UHFFFAOYSA-N 2 1 324.222 2.645 20 0 DFADMP C[C@@H]1[C@H]([NH3+])CCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000420250151 296165536 /nfs/dbraw/zinc/16/55/36/296165536.db2.gz JTDGKUOBYYLNKS-BXKDBHETSA-N 2 1 306.207 2.923 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3sccc3C2)cc1 ZINC000420295881 296170589 /nfs/dbraw/zinc/17/05/89/296170589.db2.gz BCBCEMQCRMHWSC-HNNXBMFYSA-N 2 1 302.443 2.857 20 0 DFADMP CC(C)(C)OC(=O)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C1CCC1 ZINC000596062546 399160287 /nfs/dbraw/zinc/16/02/87/399160287.db2.gz HVJBBKMWSGIMDP-BRWVUGGUSA-N 2 1 322.493 2.961 20 0 DFADMP CC[C@@H](C)[C@@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420297091 296170938 /nfs/dbraw/zinc/17/09/38/296170938.db2.gz FJHDOEWYHSRVQM-LTDCPUDJSA-N 2 1 304.478 2.816 20 0 DFADMP CC[C@@H](C)[C@@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420297091 296170939 /nfs/dbraw/zinc/17/09/39/296170939.db2.gz FJHDOEWYHSRVQM-LTDCPUDJSA-N 2 1 304.478 2.816 20 0 DFADMP CC(C)(C)OC(=O)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)C1CCC1 ZINC000596062550 399159918 /nfs/dbraw/zinc/15/99/18/399159918.db2.gz HVJBBKMWSGIMDP-YESZJQIVSA-N 2 1 322.493 2.961 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)[C@H](C)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420301548 296171855 /nfs/dbraw/zinc/17/18/55/296171855.db2.gz LKYKZFSWIGNRDG-GJZGRUSLSA-N 2 1 309.885 2.669 20 0 DFADMP FC(F)(F)c1cc([C@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000420302107 296171914 /nfs/dbraw/zinc/17/19/14/296171914.db2.gz MDDHSAQJNYOOKK-NEPJUHHUSA-N 2 1 316.371 2.608 20 0 DFADMP Fc1ccc(F)c(C[N@@H+](CCN2CC[NH2+]CC2)C2CCCC2)c1 ZINC000420303950 296172033 /nfs/dbraw/zinc/17/20/33/296172033.db2.gz OBEYGQXCIYFHIX-UHFFFAOYSA-N 2 1 323.431 2.615 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000420307898 296172872 /nfs/dbraw/zinc/17/28/72/296172872.db2.gz JCUHMGYBUGKNKU-SLFFLAALSA-N 3 1 315.505 2.658 20 0 DFADMP O=C(Nc1ccccc1)[C@H]1CCC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1 ZINC000420303477 296172270 /nfs/dbraw/zinc/17/22/70/296172270.db2.gz KKDWCRAILGOYPE-SJORKVTESA-N 2 1 315.461 2.727 20 0 DFADMP c1c2ccccc2[nH]c1[C@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420310971 296173317 /nfs/dbraw/zinc/17/33/17/296173317.db2.gz VORTXGUVIDMAJL-LJQANCHMSA-N 2 1 312.461 2.600 20 0 DFADMP C[C@@H]([NH3+])CN1CCC[N@@H+](Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000420314141 296173830 /nfs/dbraw/zinc/17/38/30/296173830.db2.gz YWOBAORTRVNZCK-CYBMUJFWSA-N 2 1 315.383 2.560 20 0 DFADMP CCOc1cc2c(cc1OCC)C[N@@H+](CC[C@@H]1CC[NH2+]C1)CC2 ZINC000420320006 296174632 /nfs/dbraw/zinc/17/46/32/296174632.db2.gz PZHJAYVXFKRPAP-HNNXBMFYSA-N 2 1 318.461 2.842 20 0 DFADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1)OCCO2 ZINC000420316037 296174034 /nfs/dbraw/zinc/17/40/34/296174034.db2.gz MFRAWUYWBPHUPV-NVXWUHKLSA-N 2 1 316.445 2.984 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCOc2ccccc2)cc1 ZINC000420323981 296175474 /nfs/dbraw/zinc/17/54/74/296175474.db2.gz UUPAZUMYFYZYQP-KRWDZBQOSA-N 2 1 314.429 2.748 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420335580 296176678 /nfs/dbraw/zinc/17/66/78/296176678.db2.gz LRDZOETXFZBPEV-MCIONIFRSA-N 2 1 321.852 2.598 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2scnc2C)cc1 ZINC000420326044 296175629 /nfs/dbraw/zinc/17/56/29/296175629.db2.gz WYMAQTHQQZFSMJ-AWEZNQCLSA-N 2 1 305.447 2.634 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2scnc2C)cc1 ZINC000420326044 296175630 /nfs/dbraw/zinc/17/56/30/296175630.db2.gz WYMAQTHQQZFSMJ-AWEZNQCLSA-N 2 1 305.447 2.634 20 0 DFADMP COc1cccc(CCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420326673 296175791 /nfs/dbraw/zinc/17/57/91/296175791.db2.gz KFDZMLDJCFEREZ-QZTJIDSGSA-N 2 1 302.462 2.949 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328164 296175996 /nfs/dbraw/zinc/17/59/96/296175996.db2.gz DWPFVIDOPQRVIM-MELADBBJSA-N 2 1 321.852 2.598 20 0 DFADMP C[C@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328502 296176076 /nfs/dbraw/zinc/17/60/76/296176076.db2.gz MQYASEJCRQCSOV-OLZOCXBDSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1cc(F)ccc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328502 296176077 /nfs/dbraw/zinc/17/60/77/296176077.db2.gz MQYASEJCRQCSOV-OLZOCXBDSA-N 2 1 310.388 2.713 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335955 296177180 /nfs/dbraw/zinc/17/71/80/296177180.db2.gz IGCJDRCSDKLBDM-ROUUACIJSA-N 2 1 323.525 2.737 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336657 296177190 /nfs/dbraw/zinc/17/71/90/296177190.db2.gz WCCLJPQBJKGJPK-AEFFLSMTSA-N 2 1 300.446 2.751 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335953 296177224 /nfs/dbraw/zinc/17/72/24/296177224.db2.gz IGCJDRCSDKLBDM-QZTJIDSGSA-N 2 1 323.525 2.737 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420343851 296177739 /nfs/dbraw/zinc/17/77/39/296177739.db2.gz ROWFWVOIFGCKSI-SJORKVTESA-N 2 1 315.461 2.509 20 0 DFADMP c1ccc(-c2nc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)no2)cc1 ZINC000420342862 296177754 /nfs/dbraw/zinc/17/77/54/296177754.db2.gz QCRYWFIQPCHKHN-JKSUJKDBSA-N 2 1 312.417 2.558 20 0 DFADMP c1ccc(-c2nc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)no2)cc1 ZINC000420342862 296177755 /nfs/dbraw/zinc/17/77/55/296177755.db2.gz QCRYWFIQPCHKHN-JKSUJKDBSA-N 2 1 312.417 2.558 20 0 DFADMP O=C(C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420341508 296177772 /nfs/dbraw/zinc/17/77/72/296177772.db2.gz ORJYUFUWPZTZMM-UONOGXRCSA-N 2 1 321.852 2.600 20 0 DFADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1)Nc1ccc(Cl)cc1 ZINC000420341504 296177813 /nfs/dbraw/zinc/17/78/13/296177813.db2.gz ORJYUFUWPZTZMM-KBPBESRZSA-N 2 1 321.852 2.600 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420344999 296177974 /nfs/dbraw/zinc/17/79/74/296177974.db2.gz VNDLXYICJIOXAO-DLBZAZTESA-N 2 1 318.461 2.786 20 0 DFADMP Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c(C[NH+](C)C)c1 ZINC000080669206 399168342 /nfs/dbraw/zinc/16/83/42/399168342.db2.gz LALITOIJDCLSEN-IAGOWNOFSA-N 2 1 315.461 2.870 20 0 DFADMP Cc1cc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)ccc1F ZINC000420352860 296178802 /nfs/dbraw/zinc/17/88/02/296178802.db2.gz AWOACLPLINEMSF-QAPCUYQASA-N 2 1 306.425 2.897 20 0 DFADMP Cc1cc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)ccc1F ZINC000420352862 296178891 /nfs/dbraw/zinc/17/88/91/296178891.db2.gz AWOACLPLINEMSF-YJBOKZPZSA-N 2 1 306.425 2.897 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092555 399170958 /nfs/dbraw/zinc/17/09/58/399170958.db2.gz BLSNMTWCNAGAFK-DLBZAZTESA-N 2 1 322.493 2.820 20 0 DFADMP Cc1cc(C)c(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(C)c1 ZINC000282538137 217071983 /nfs/dbraw/zinc/07/19/83/217071983.db2.gz ZNNWTVVEMUGHCT-UHFFFAOYSA-N 2 1 303.494 2.727 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2ccncc2)cc1 ZINC000420363968 296180326 /nfs/dbraw/zinc/18/03/26/296180326.db2.gz QERZFBVMOPXTBX-MJGOQNOKSA-N 2 1 311.429 2.970 20 0 DFADMP c1nc([C@@H]2CCC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)n2c1CCCC2 ZINC000420362117 296180347 /nfs/dbraw/zinc/18/03/47/296180347.db2.gz AHRHMWXQYIPLPB-DLBZAZTESA-N 2 1 316.493 2.789 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420363624 296180450 /nfs/dbraw/zinc/18/04/50/296180450.db2.gz BQJMJXBXLUMGBP-MRXNPFEDSA-N 2 1 300.446 2.680 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H]2c2ccncc2)cc1 ZINC000420363969 296180508 /nfs/dbraw/zinc/18/05/08/296180508.db2.gz QERZFBVMOPXTBX-PKOBYXMFSA-N 2 1 311.429 2.970 20 0 DFADMP CCC(C)(C)[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420370543 296181753 /nfs/dbraw/zinc/18/17/53/296181753.db2.gz JMLQGJJZOJYDEW-BZSNNMDCSA-N 2 1 304.478 2.818 20 0 DFADMP CC[C@@H](C)[C@@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CCC[NH2+]C ZINC000420377208 296182661 /nfs/dbraw/zinc/18/26/61/296182661.db2.gz RYTCHODLCFFOFW-APWZRJJASA-N 2 1 318.509 2.532 20 0 DFADMP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC[NH2+]C ZINC000420377208 296182665 /nfs/dbraw/zinc/18/26/65/296182665.db2.gz RYTCHODLCFFOFW-APWZRJJASA-N 2 1 318.509 2.532 20 0 DFADMP CC[C@@H](C)[C@@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC[NH2+]C ZINC000420377208 296182666 /nfs/dbraw/zinc/18/26/66/296182666.db2.gz RYTCHODLCFFOFW-APWZRJJASA-N 2 1 318.509 2.532 20 0 DFADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](CC[C@H]2CC[NH2+]C2)C1 ZINC000420379321 296183153 /nfs/dbraw/zinc/18/31/53/296183153.db2.gz VDDDTUQZWWBIFB-WBVHZDCISA-N 2 1 306.425 2.806 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420376091 296182862 /nfs/dbraw/zinc/18/28/62/296182862.db2.gz AGGDBFIGRMRKOI-DOTOQJQBSA-N 2 1 303.450 2.671 20 0 DFADMP COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420376091 296182863 /nfs/dbraw/zinc/18/28/63/296182863.db2.gz AGGDBFIGRMRKOI-DOTOQJQBSA-N 2 1 303.450 2.671 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1C ZINC000420376091 296182865 /nfs/dbraw/zinc/18/28/65/296182865.db2.gz AGGDBFIGRMRKOI-DOTOQJQBSA-N 2 1 303.450 2.671 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000420379859 296183728 /nfs/dbraw/zinc/18/37/28/296183728.db2.gz VWUSAHKZBJZOEG-SFHVURJKSA-N 3 1 307.526 2.820 20 0 DFADMP [NH3+]C[C@@H]([NH2+]CCC(=O)NCC1CCCCC1)C1CCCCC1 ZINC000420381152 296183384 /nfs/dbraw/zinc/18/33/84/296183384.db2.gz YXEHUIAZSGVMKY-QGZVFWFLSA-N 2 1 309.498 2.570 20 0 DFADMP C[C@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000282700039 217185750 /nfs/dbraw/zinc/18/57/50/217185750.db2.gz QBEICSLCTFFMSQ-MRXNPFEDSA-N 2 1 323.912 2.888 20 0 DFADMP CC(C)(C)c1cccc(OCCC[N@H+]2CCCO[C@H](C[NH3+])C2)c1 ZINC000420388941 296184968 /nfs/dbraw/zinc/18/49/68/296184968.db2.gz LTFBMJQFVHLNJN-GOSISDBHSA-N 2 1 320.477 2.803 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000420399697 296186008 /nfs/dbraw/zinc/18/60/08/296186008.db2.gz ODGRPUJTTIJQTP-UKRRQHHQSA-N 2 1 322.474 2.807 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000420399697 296186009 /nfs/dbraw/zinc/18/60/09/296186009.db2.gz ODGRPUJTTIJQTP-UKRRQHHQSA-N 2 1 322.474 2.807 20 0 DFADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000600938185 399180488 /nfs/dbraw/zinc/18/04/88/399180488.db2.gz DMXPXZQMDISHME-KRWDZBQOSA-N 2 1 301.434 2.705 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000600938185 399180496 /nfs/dbraw/zinc/18/04/96/399180496.db2.gz DMXPXZQMDISHME-KRWDZBQOSA-N 2 1 301.434 2.705 20 0 DFADMP COc1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420406894 296187370 /nfs/dbraw/zinc/18/73/70/296187370.db2.gz UTGDCPTVXAUJIP-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420412582 296187575 /nfs/dbraw/zinc/18/75/75/296187575.db2.gz ZJORCTYQGCKZOO-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000266199974 205179124 /nfs/dbraw/zinc/17/91/24/205179124.db2.gz IZIQVPYQDMPNQR-INIZCTEOSA-N 2 1 321.428 2.916 20 0 DFADMP CN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1[nH+]cnc2[nH]ccc21 ZINC000266199974 205179128 /nfs/dbraw/zinc/17/91/28/205179128.db2.gz IZIQVPYQDMPNQR-INIZCTEOSA-N 2 1 321.428 2.916 20 0 DFADMP CC[C@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+](CC)CC ZINC000618661076 399200856 /nfs/dbraw/zinc/20/08/56/399200856.db2.gz NQHDJLGIFSBUKK-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP COCCCOc1cccc(C[NH2+]CCCn2cc[nH+]c2C)c1 ZINC000063915429 399212969 /nfs/dbraw/zinc/21/29/69/399212969.db2.gz JXSDUVXMJCJRDK-UHFFFAOYSA-N 2 1 317.433 2.787 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2ncc(COC)s2)CC1 ZINC000342681622 284387857 /nfs/dbraw/zinc/38/78/57/284387857.db2.gz QUFQFZAWJJDWES-UHFFFAOYSA-N 2 1 311.495 2.843 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282990535 217374295 /nfs/dbraw/zinc/37/42/95/217374295.db2.gz FLHKZDDHPZDCPF-MNEFBYGVSA-N 2 1 302.462 2.615 20 0 DFADMP Cc1cn2c(C[NH2+]CCCn3cc[nH+]c3C)c(C)nc2s1 ZINC000614389371 399223306 /nfs/dbraw/zinc/22/33/06/399223306.db2.gz PHTIGUSAZNFQAJ-UHFFFAOYSA-N 2 1 303.435 2.697 20 0 DFADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000420920249 296212271 /nfs/dbraw/zinc/21/22/71/296212271.db2.gz ARKOFMIDELTFSM-BZUAXINKSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000420920249 296212272 /nfs/dbraw/zinc/21/22/72/296212272.db2.gz ARKOFMIDELTFSM-BZUAXINKSA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000420920249 296212275 /nfs/dbraw/zinc/21/22/75/296212275.db2.gz ARKOFMIDELTFSM-BZUAXINKSA-N 2 1 310.482 2.913 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000267447233 206072917 /nfs/dbraw/zinc/07/29/17/206072917.db2.gz KMBCZUNKVIWJBF-WBVHZDCISA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000267447233 206072922 /nfs/dbraw/zinc/07/29/22/206072922.db2.gz KMBCZUNKVIWJBF-WBVHZDCISA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2nc3ccccc3n2C)[C@H](C)C1 ZINC000267447233 206072928 /nfs/dbraw/zinc/07/29/28/206072928.db2.gz KMBCZUNKVIWJBF-WBVHZDCISA-N 2 1 314.477 2.778 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]C[C@H]3CCSC3)CCCC2)CC1 ZINC000487298170 299456022 /nfs/dbraw/zinc/45/60/22/299456022.db2.gz LWOYXBPBNXJNSR-OAHLLOKOSA-N 2 1 312.523 2.753 20 0 DFADMP CCOC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)C(C)C ZINC000420960445 296218161 /nfs/dbraw/zinc/21/81/61/296218161.db2.gz HVABSTXNQUYVHK-IBGZPJMESA-N 2 1 320.477 2.670 20 0 DFADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C2CCC(C(C)C)CC2)CC1 ZINC000622421919 399252807 /nfs/dbraw/zinc/25/28/07/399252807.db2.gz OWZCXUWUZWVBSJ-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP COc1ccc2c(c1)OC(C)(C)C[N@@H+](CCn1cc[nH+]c1C)C2 ZINC000421043582 296230699 /nfs/dbraw/zinc/23/06/99/296230699.db2.gz RCVYHOHFWBPRJI-UHFFFAOYSA-N 2 1 315.417 2.873 20 0 DFADMP COc1ccc2c(c1)OC(C)(C)C[N@H+](CCn1cc[nH+]c1C)C2 ZINC000421043582 296230700 /nfs/dbraw/zinc/23/07/00/296230700.db2.gz RCVYHOHFWBPRJI-UHFFFAOYSA-N 2 1 315.417 2.873 20 0 DFADMP CCC[N@@H+](C)CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000622662914 399266100 /nfs/dbraw/zinc/26/61/00/399266100.db2.gz WAYSJSPWWUBAJA-UHFFFAOYSA-N 2 1 311.514 2.687 20 0 DFADMP CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000601275765 399268455 /nfs/dbraw/zinc/26/84/55/399268455.db2.gz DUKZQJWHBZPRDM-SCXZOKCQSA-N 2 1 322.493 2.961 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618997867 399274546 /nfs/dbraw/zinc/27/45/46/399274546.db2.gz ZGKGPARAPTUKKQ-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)C[C@H]1CC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000608746457 399292391 /nfs/dbraw/zinc/29/23/91/399292391.db2.gz XCKZJSXRCWBLCW-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@H]1CC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000608746457 399292393 /nfs/dbraw/zinc/29/23/93/399292393.db2.gz XCKZJSXRCWBLCW-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@H]1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000608746457 399292396 /nfs/dbraw/zinc/29/23/96/399292396.db2.gz XCKZJSXRCWBLCW-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@H]1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000608746457 399292399 /nfs/dbraw/zinc/29/23/99/399292399.db2.gz XCKZJSXRCWBLCW-RTBURBONSA-N 2 1 304.478 2.847 20 0 DFADMP CCCC[C@H](C(=O)OC)[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609317325 399313289 /nfs/dbraw/zinc/31/32/89/399313289.db2.gz UPXNHOKGPUYGHD-HZPDHXFCSA-N 2 1 319.449 2.856 20 0 DFADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609635918 399327967 /nfs/dbraw/zinc/32/79/67/399327967.db2.gz XLNMMHPSZVAIPE-CVEARBPZSA-N 2 1 319.449 2.856 20 0 DFADMP C[N@H+](CC1(C)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1=O ZINC000104726373 194030499 /nfs/dbraw/zinc/03/04/99/194030499.db2.gz IHGNUBUKZCRCCJ-KRWDZBQOSA-N 2 1 316.445 2.536 20 0 DFADMP C[N@@H+](CC1(C)CC[NH+](Cc2ccccc2)CC1)[C@H]1CCOC1=O ZINC000104726373 194030502 /nfs/dbraw/zinc/03/05/02/194030502.db2.gz IHGNUBUKZCRCCJ-KRWDZBQOSA-N 2 1 316.445 2.536 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](C/C=C\c3ccccc3)C2)CC1 ZINC000610250327 399350964 /nfs/dbraw/zinc/35/09/64/399350964.db2.gz SJJZDCVILCPNDS-NSDNCLLMSA-N 2 1 313.489 2.800 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC[N@@H+]1C ZINC000273914425 211168060 /nfs/dbraw/zinc/16/80/60/211168060.db2.gz CUJBWTJWCSRUOJ-BARLLCKDSA-N 2 1 302.462 2.889 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)CC[N@H+]1C ZINC000273914425 211168062 /nfs/dbraw/zinc/16/80/62/211168062.db2.gz CUJBWTJWCSRUOJ-BARLLCKDSA-N 2 1 302.462 2.889 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)CC(C)(C)O3)CC1 ZINC000105423821 194103619 /nfs/dbraw/zinc/10/36/19/194103619.db2.gz DECLZDHSLAXEPI-UHFFFAOYSA-N 2 1 318.461 2.601 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)CC1(C)C ZINC000623336809 399365465 /nfs/dbraw/zinc/36/54/65/399365465.db2.gz GBZMXSQMQSJOOX-JKSUJKDBSA-N 2 1 305.466 2.879 20 0 DFADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623338312 399365505 /nfs/dbraw/zinc/36/55/05/399365505.db2.gz UVTRMUKKKLVGQE-ROUUACIJSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338312 399365518 /nfs/dbraw/zinc/36/55/18/399365518.db2.gz UVTRMUKKKLVGQE-ROUUACIJSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623338310 399365605 /nfs/dbraw/zinc/36/56/05/399365605.db2.gz UVTRMUKKKLVGQE-MSOLQXFVSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338310 399365613 /nfs/dbraw/zinc/36/56/13/399365613.db2.gz UVTRMUKKKLVGQE-MSOLQXFVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623338923 399365626 /nfs/dbraw/zinc/36/56/26/399365626.db2.gz AXHBHFCCDCPVJK-UKRRQHHQSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623338923 399365628 /nfs/dbraw/zinc/36/56/28/399365628.db2.gz AXHBHFCCDCPVJK-UKRRQHHQSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000623344211 399367381 /nfs/dbraw/zinc/36/73/81/399367381.db2.gz ABYFRKZXEWWVLF-DZGCQCFKSA-N 2 1 324.490 2.614 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(S(C)(=O)=O)cc1 ZINC000623344211 399367383 /nfs/dbraw/zinc/36/73/83/399367383.db2.gz ABYFRKZXEWWVLF-DZGCQCFKSA-N 2 1 324.490 2.614 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347517 399368107 /nfs/dbraw/zinc/36/81/07/399368107.db2.gz CMHIFSIACOYSMF-WBVHZDCISA-N 2 1 301.478 2.900 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1nnc2n1CCCCC2 ZINC000623352101 399369682 /nfs/dbraw/zinc/36/96/82/399369682.db2.gz OXNVZAGHVADLFU-UONOGXRCSA-N 2 1 305.470 2.528 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc(F)c1F ZINC000623356476 399371082 /nfs/dbraw/zinc/37/10/82/399371082.db2.gz SIRFLYMFKPXDPC-GFCCVEGCSA-N 2 1 309.404 2.605 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)ccc(F)c1F ZINC000623356476 399371085 /nfs/dbraw/zinc/37/10/85/399371085.db2.gz SIRFLYMFKPXDPC-GFCCVEGCSA-N 2 1 309.404 2.605 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccn3)CC2)CC1(C)C ZINC000623357601 399371102 /nfs/dbraw/zinc/37/11/02/399371102.db2.gz XQCKCPMIBSDEFA-INIZCTEOSA-N 2 1 302.466 2.513 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(C)c(Br)cn1 ZINC000623363429 399372656 /nfs/dbraw/zinc/37/26/56/399372656.db2.gz UDPCCHKRBLMPGO-UHFFFAOYSA-N 2 1 323.238 2.837 20 0 DFADMP COc1cccc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1OC ZINC000623362694 399373037 /nfs/dbraw/zinc/37/30/37/399373037.db2.gz FOWHENUNEWJKDF-OAHLLOKOSA-N 2 1 306.450 2.709 20 0 DFADMP C[N@@H+]1CCC[C@H]1CNCc1cccc(F)c1OCC(F)(F)F ZINC000623377308 399375675 /nfs/dbraw/zinc/37/56/75/399375675.db2.gz USKWZWZPWCWLEX-LBPRGKRZSA-N 2 1 320.330 2.951 20 0 DFADMP C[N@H+]1CCC[C@H]1CNCc1cccc(F)c1OCC(F)(F)F ZINC000623377308 399375678 /nfs/dbraw/zinc/37/56/78/399375678.db2.gz USKWZWZPWCWLEX-LBPRGKRZSA-N 2 1 320.330 2.951 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1(C)C ZINC000623376014 399375776 /nfs/dbraw/zinc/37/57/76/399375776.db2.gz BYRLHPUDZHNYAG-OAHLLOKOSA-N 2 1 316.424 2.974 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1(C)C ZINC000623376014 399375778 /nfs/dbraw/zinc/37/57/78/399375778.db2.gz BYRLHPUDZHNYAG-OAHLLOKOSA-N 2 1 316.424 2.974 20 0 DFADMP CCc1cc(N2CC[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000285031119 218263443 /nfs/dbraw/zinc/26/34/43/218263443.db2.gz NJSCYSDMMWWTOA-OALUTQOASA-N 2 1 311.429 2.707 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC1CC1 ZINC000623388534 399377842 /nfs/dbraw/zinc/37/78/42/399377842.db2.gz MJPVAOQCSOYQBE-CQSZACIVSA-N 2 1 313.401 2.538 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC1(C)C ZINC000623387576 399377646 /nfs/dbraw/zinc/37/76/46/399377646.db2.gz JUVLDRKVKRZROV-MRXNPFEDSA-N 2 1 303.450 2.833 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)CC1(C)C ZINC000623387576 399377649 /nfs/dbraw/zinc/37/76/49/399377649.db2.gz JUVLDRKVKRZROV-MRXNPFEDSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC1CC1 ZINC000623388533 399377719 /nfs/dbraw/zinc/37/77/19/399377719.db2.gz MJPVAOQCSOYQBE-AWEZNQCLSA-N 2 1 313.401 2.538 20 0 DFADMP C[C@H](CN1CC[NH+](C)CC1)[NH2+]Cc1ccc(-c2ccccc2)o1 ZINC000106483737 194219614 /nfs/dbraw/zinc/21/96/14/194219614.db2.gz HFIGQEJWDKTWRB-MRXNPFEDSA-N 2 1 313.445 2.672 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623402719 399381354 /nfs/dbraw/zinc/38/13/54/399381354.db2.gz WXMVPDMIDZLGHD-LBPRGKRZSA-N 2 1 322.403 2.962 20 0 DFADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000623445401 399391661 /nfs/dbraw/zinc/39/16/61/399391661.db2.gz PPXYHXINLSPIIZ-CVEARBPZSA-N 2 1 317.477 2.736 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623444514 399391906 /nfs/dbraw/zinc/39/19/06/399391906.db2.gz IUSGLWPHIDYGCA-QGZVFWFLSA-N 2 1 320.477 2.983 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623444514 399391907 /nfs/dbraw/zinc/39/19/07/399391907.db2.gz IUSGLWPHIDYGCA-QGZVFWFLSA-N 2 1 320.477 2.983 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000422558236 296312304 /nfs/dbraw/zinc/31/23/04/296312304.db2.gz ANXDOYXEAQGUAH-HLLBOEOZSA-N 2 1 304.482 2.731 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C[C@H]2C)cn1 ZINC000422558235 296312364 /nfs/dbraw/zinc/31/23/64/296312364.db2.gz ANXDOYXEAQGUAH-BFYDXBDKSA-N 2 1 304.482 2.731 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000268845912 207012933 /nfs/dbraw/zinc/01/29/33/207012933.db2.gz AHSBVDMFGBCSNF-RWQQGDIJSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCOC1 ZINC000268845912 207012936 /nfs/dbraw/zinc/01/29/36/207012936.db2.gz AHSBVDMFGBCSNF-RWQQGDIJSA-N 2 1 302.462 2.912 20 0 DFADMP c1ccc(COc2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)nc1 ZINC000422561630 296312615 /nfs/dbraw/zinc/31/26/15/296312615.db2.gz MLVHXAKWTZULFK-UHFFFAOYSA-N 2 1 323.440 2.989 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@H]2C)cc1OC ZINC000422562406 296312618 /nfs/dbraw/zinc/31/26/18/296312618.db2.gz PXOOHNOSECGFGV-LZWOXQAQSA-N 2 1 306.450 2.899 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000110649596 194346070 /nfs/dbraw/zinc/34/60/70/194346070.db2.gz LMUGEIMTMZXNDC-GFCCVEGCSA-N 2 1 309.841 2.646 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2c(c1)OCCO2 ZINC000268861681 207030150 /nfs/dbraw/zinc/03/01/50/207030150.db2.gz MSGYBFSOKYPPBG-CYBMUJFWSA-N 2 1 301.390 2.704 20 0 DFADMP CSc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1F ZINC000268875650 207043980 /nfs/dbraw/zinc/04/39/80/207043980.db2.gz WQDZQOUMJHKJRR-GXTWGEPZSA-N 2 1 312.454 2.655 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000268880272 207052320 /nfs/dbraw/zinc/05/23/20/207052320.db2.gz MMKXSXYTBACCME-SFHVURJKSA-N 2 1 300.446 2.909 20 0 DFADMP CO[C@@H](C)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268890805 207060582 /nfs/dbraw/zinc/06/05/82/207060582.db2.gz YTBDRZIREIQPRA-HNNXBMFYSA-N 2 1 308.441 2.847 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCCO[C@@H]2c2ccncc2)CC1(C)C ZINC000623499714 399402618 /nfs/dbraw/zinc/40/26/18/399402618.db2.gz NITNHOLHPUYSJE-YESZJQIVSA-N 2 1 303.450 2.764 20 0 DFADMP c1cn2cc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nc2s1 ZINC000422699551 296318230 /nfs/dbraw/zinc/31/82/30/296318230.db2.gz DPSROSWGYIUUOB-QLFBSQMISA-N 2 1 304.463 2.796 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cc(F)ccc1F ZINC000268924427 207091901 /nfs/dbraw/zinc/09/19/01/207091901.db2.gz PKOLQHYFQUDPNI-DZGCQCFKSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268926936 207092869 /nfs/dbraw/zinc/09/28/69/207092869.db2.gz YJOUACZWPXBUOR-OQIJWPOYSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268926936 207092874 /nfs/dbraw/zinc/09/28/74/207092874.db2.gz YJOUACZWPXBUOR-OQIJWPOYSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@@H+](C)C1CCCCC1 ZINC000422700391 296318660 /nfs/dbraw/zinc/31/86/60/296318660.db2.gz GVROYHZSDNMBTL-QFBILLFUSA-N 2 1 303.494 2.799 20 0 DFADMP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422711321 296320263 /nfs/dbraw/zinc/32/02/63/296320263.db2.gz GWYQWRAUYRUKIO-YCPHGPKFSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422711321 296320264 /nfs/dbraw/zinc/32/02/64/296320264.db2.gz GWYQWRAUYRUKIO-YCPHGPKFSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@H]([NH2+]CCc1cc(Br)ccc1F)[C@H]1CCC[NH2+]1 ZINC000422709075 296319881 /nfs/dbraw/zinc/31/98/81/296319881.db2.gz YPQIHUKVGZMCPB-IINYFYTJSA-N 2 1 315.230 2.861 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422718532 296320825 /nfs/dbraw/zinc/32/08/25/296320825.db2.gz PWAXDVLAWVLGKX-IHPCNDPISA-N 2 1 315.505 2.671 20 0 DFADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC1CC1 ZINC000623540206 399411843 /nfs/dbraw/zinc/41/18/43/399411843.db2.gz PUKOAVNHVXAIIU-MQVJKMGUSA-N 2 1 316.445 2.951 20 0 DFADMP COc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC1CC1 ZINC000623540206 399411846 /nfs/dbraw/zinc/41/18/46/399411846.db2.gz PUKOAVNHVXAIIU-MQVJKMGUSA-N 2 1 316.445 2.951 20 0 DFADMP CC[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422722924 296321621 /nfs/dbraw/zinc/32/16/21/296321621.db2.gz ZCVNHHPOACEFNN-AQNXPRMDSA-N 2 1 315.505 2.671 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccncc3)C2)CC1(C)C ZINC000623540006 399411911 /nfs/dbraw/zinc/41/19/11/399411911.db2.gz GWLCTPMFIWXKEG-IXDOHACOSA-N 2 1 303.450 2.764 20 0 DFADMP CC[C@H](NC[C@@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722215 296321663 /nfs/dbraw/zinc/32/16/63/296321663.db2.gz XERCBWMNZQQGOY-KBMXLJTQSA-N 2 1 307.507 2.615 20 0 DFADMP CC[C@H](NC[C@@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722215 296321664 /nfs/dbraw/zinc/32/16/64/296321664.db2.gz XERCBWMNZQQGOY-KBMXLJTQSA-N 2 1 307.507 2.615 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)N1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722215 296321665 /nfs/dbraw/zinc/32/16/65/296321665.db2.gz XERCBWMNZQQGOY-KBMXLJTQSA-N 2 1 307.507 2.615 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000268962831 207127201 /nfs/dbraw/zinc/12/72/01/207127201.db2.gz GBNFZUKTSJTCKW-IRXDYDNUSA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000268962831 207127202 /nfs/dbraw/zinc/12/72/02/207127202.db2.gz GBNFZUKTSJTCKW-IRXDYDNUSA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000268962831 207127205 /nfs/dbraw/zinc/12/72/05/207127205.db2.gz GBNFZUKTSJTCKW-IRXDYDNUSA-N 2 1 318.461 2.880 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000422720322 296321223 /nfs/dbraw/zinc/32/12/23/296321223.db2.gz ZDYIDPLZENYRMN-SJLPKXTDSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000422720320 296321245 /nfs/dbraw/zinc/32/12/45/296321245.db2.gz ZDYIDPLZENYRMN-AEFFLSMTSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000422720323 296321451 /nfs/dbraw/zinc/32/14/51/296321451.db2.gz ZDYIDPLZENYRMN-WMZOPIPTSA-N 2 1 317.477 2.545 20 0 DFADMP CC(C)(C)[C@@H](C[N@H+]1CCc2ccccc2C1)NC1CC[NH2+]CC1 ZINC000422725522 296322190 /nfs/dbraw/zinc/32/21/90/296322190.db2.gz BOYIFOLBBMXPDC-LJQANCHMSA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)(C)[C@@H](CN1CCc2ccccc2C1)[NH2+]C1CC[NH2+]CC1 ZINC000422725522 296322191 /nfs/dbraw/zinc/32/21/91/296322191.db2.gz BOYIFOLBBMXPDC-LJQANCHMSA-N 2 1 315.505 2.801 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000422731867 296323098 /nfs/dbraw/zinc/32/30/98/296323098.db2.gz OEMOXWVJZMBKIY-PBHICJAKSA-N 2 1 304.482 2.764 20 0 DFADMP CC[C@H]1CCCCN1CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422731867 296323100 /nfs/dbraw/zinc/32/31/00/296323100.db2.gz OEMOXWVJZMBKIY-PBHICJAKSA-N 2 1 304.482 2.764 20 0 DFADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422732214 296323103 /nfs/dbraw/zinc/32/31/03/296323103.db2.gz NMSLOZFLTHCMLK-RHSMWYFYSA-N 2 1 314.429 2.752 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C(C)C ZINC000268995343 207152596 /nfs/dbraw/zinc/15/25/96/207152596.db2.gz SPPNPRVSNNCROR-LJQANCHMSA-N 2 1 304.478 2.954 20 0 DFADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000611036222 399429984 /nfs/dbraw/zinc/42/99/84/399429984.db2.gz FIFILSUULAGNGS-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CC[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000611036222 399429986 /nfs/dbraw/zinc/42/99/86/399429986.db2.gz FIFILSUULAGNGS-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@@H](CC[NH+](C)C)[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000269009988 207163458 /nfs/dbraw/zinc/16/34/58/207163458.db2.gz NKBUXDMRMWHJEW-INIZCTEOSA-N 2 1 321.484 2.762 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)ccc(F)c1F ZINC000623657914 399437785 /nfs/dbraw/zinc/43/77/85/399437785.db2.gz CKJLLCAXXJXDEX-ZDUSSCGKSA-N 2 1 311.420 2.852 20 0 DFADMP CN(C)c1c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)ccc(F)c1F ZINC000623657914 399437787 /nfs/dbraw/zinc/43/77/87/399437787.db2.gz CKJLLCAXXJXDEX-ZDUSSCGKSA-N 2 1 311.420 2.852 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3csc(C)c3C)C2)CC1 ZINC000602463388 399450990 /nfs/dbraw/zinc/45/09/90/399450990.db2.gz GADLGKMWIDJJBB-KRWDZBQOSA-N 2 1 307.507 2.577 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000269078490 207225421 /nfs/dbraw/zinc/22/54/21/207225421.db2.gz YYIIUVQJJNWNSN-CAMMJAKZSA-N 2 1 304.478 2.894 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000269078490 207225425 /nfs/dbraw/zinc/22/54/25/207225425.db2.gz YYIIUVQJJNWNSN-CAMMJAKZSA-N 2 1 304.478 2.894 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000269078492 207226271 /nfs/dbraw/zinc/22/62/71/207226271.db2.gz YYIIUVQJJNWNSN-DKKFBQAASA-N 2 1 304.478 2.894 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000269078492 207226277 /nfs/dbraw/zinc/22/62/77/207226277.db2.gz YYIIUVQJJNWNSN-DKKFBQAASA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000623733395 399452821 /nfs/dbraw/zinc/45/28/21/399452821.db2.gz LDFCBJQUYJOXDY-BVIKNXMNSA-N 2 1 318.465 2.510 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623733590 399452961 /nfs/dbraw/zinc/45/29/61/399452961.db2.gz UFWCUMYIYDCYFK-BFYDXBDKSA-N 2 1 320.481 2.756 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623733590 399452964 /nfs/dbraw/zinc/45/29/64/399452964.db2.gz UFWCUMYIYDCYFK-BFYDXBDKSA-N 2 1 320.481 2.756 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(=O)OC)cs2)[C@@H](C)C1 ZINC000602475647 399455101 /nfs/dbraw/zinc/45/51/01/399455101.db2.gz LXTBOYWVYDEJDH-WFASDCNBSA-N 2 1 310.463 2.697 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)C2CC[NH2+]CC2)cc1 ZINC000269124722 207259552 /nfs/dbraw/zinc/25/95/52/207259552.db2.gz BRCIVIOULHROBV-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)cc1C ZINC000602512372 399465042 /nfs/dbraw/zinc/46/50/42/399465042.db2.gz ASRGBECCMKEHQT-CQSZACIVSA-N 2 1 321.465 2.711 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)[nH]c1C ZINC000602513718 399465622 /nfs/dbraw/zinc/46/56/22/399465622.db2.gz HAHIZOQMCYUUJA-CQSZACIVSA-N 2 1 321.465 2.854 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000623786328 399466433 /nfs/dbraw/zinc/46/64/33/399466433.db2.gz IGYKJEJUIXMDDT-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000623786328 399466435 /nfs/dbraw/zinc/46/64/35/399466435.db2.gz IGYKJEJUIXMDDT-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000623786328 399466438 /nfs/dbraw/zinc/46/64/38/399466438.db2.gz IGYKJEJUIXMDDT-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)cc1 ZINC000269181440 207301442 /nfs/dbraw/zinc/30/14/42/207301442.db2.gz IDNPTSCINUVRJU-KRWDZBQOSA-N 2 1 317.477 2.648 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000422738523 296324017 /nfs/dbraw/zinc/32/40/17/296324017.db2.gz JOBAXRSLEQYDAQ-WDSOQIARSA-N 2 1 317.477 2.562 20 0 DFADMP COC(=O)c1cc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[nH]c1C ZINC000602544141 399471394 /nfs/dbraw/zinc/47/13/94/399471394.db2.gz IGSSUZDWVMUATF-HNNXBMFYSA-N 2 1 309.454 2.566 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]CCN2CCc3sccc3C2)c2ccccc21 ZINC000422743617 296324904 /nfs/dbraw/zinc/32/49/04/296324904.db2.gz UPDIFHYUQUEPLA-DLBZAZTESA-N 2 1 313.470 2.841 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H](C)[C@@H]2CCCC[NH2+]2)C1 ZINC000422740767 296324546 /nfs/dbraw/zinc/32/45/46/296324546.db2.gz NEAVPSSHOBPAGI-NBMJBFSESA-N 2 1 301.478 2.942 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000422744902 296325397 /nfs/dbraw/zinc/32/53/97/296325397.db2.gz UIUABUGEFUMQGR-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422744902 296325398 /nfs/dbraw/zinc/32/53/98/296325398.db2.gz UIUABUGEFUMQGR-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422752845 296327109 /nfs/dbraw/zinc/32/71/09/296327109.db2.gz HOQUYZGXWJLHBZ-NZSAHSFTSA-N 2 1 317.477 2.562 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1c[nH+]ccc1N ZINC000422752833 296326885 /nfs/dbraw/zinc/32/68/85/296326885.db2.gz HOBWDCXFDDAGSC-CYBMUJFWSA-N 2 1 309.417 2.893 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H](C)[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422760022 296327925 /nfs/dbraw/zinc/32/79/25/296327925.db2.gz LKAQVLAVVWGNFV-TXPKVOOTSA-N 2 1 317.477 2.784 20 0 DFADMP COC[C@@H]([NH2+]C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000422760585 296328415 /nfs/dbraw/zinc/32/84/15/296328415.db2.gz MAIGVYJICDVQGN-CQSZACIVSA-N 2 1 302.340 2.735 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422764482 296329380 /nfs/dbraw/zinc/32/93/80/296329380.db2.gz PSWZFVHZYONDME-ILXRZTDVSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422764482 296329382 /nfs/dbraw/zinc/32/93/82/296329382.db2.gz PSWZFVHZYONDME-ILXRZTDVSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000422764486 296329412 /nfs/dbraw/zinc/32/94/12/296329412.db2.gz PSWZFVHZYONDME-KFWWJZLASA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000422764486 296329413 /nfs/dbraw/zinc/32/94/13/296329413.db2.gz PSWZFVHZYONDME-KFWWJZLASA-N 2 1 304.482 2.620 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1F ZINC000422766446 296329577 /nfs/dbraw/zinc/32/95/77/296329577.db2.gz XIOKSZKVHHCOOV-WMLDXEAASA-N 2 1 302.393 2.753 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000422765803 296329788 /nfs/dbraw/zinc/32/97/88/296329788.db2.gz RGBIFAOROLELIR-RHSMWYFYSA-N 2 1 306.498 2.866 20 0 DFADMP CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)[C@H]1CCCC[NH2+]1 ZINC000422770726 296330376 /nfs/dbraw/zinc/33/03/76/296330376.db2.gz XBONOAITORNRIL-DLBZAZTESA-N 2 1 306.450 2.757 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@H+]1CCCC[C@H]1C ZINC000422772679 296330682 /nfs/dbraw/zinc/33/06/82/296330682.db2.gz SRWDMIGSGCRTIV-ZIFCJYIRSA-N 2 1 303.494 2.799 20 0 DFADMP C[C@@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422776509 296331190 /nfs/dbraw/zinc/33/11/90/296331190.db2.gz CTKXVWOWMXOVQS-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H](NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000422788418 296332961 /nfs/dbraw/zinc/33/29/61/296332961.db2.gz NKBRBBDWKJHRAF-SJORKVTESA-N 2 1 301.478 2.760 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@@H]2CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422790325 296333393 /nfs/dbraw/zinc/33/33/93/296333393.db2.gz XPSKNDNMVOSPCD-JIRNRHONSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(CN2CCCC[C@@H]2C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000422790325 296333394 /nfs/dbraw/zinc/33/33/94/296333394.db2.gz XPSKNDNMVOSPCD-JIRNRHONSA-N 2 1 313.489 2.914 20 0 DFADMP Cc1csc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000623927065 399496594 /nfs/dbraw/zinc/49/65/94/399496594.db2.gz XFJADJCBAXTLNH-ZDUSSCGKSA-N 2 1 320.462 2.638 20 0 DFADMP C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[NH2+]C1 ZINC000422796621 296334512 /nfs/dbraw/zinc/33/45/12/296334512.db2.gz YRZAZRKFYCEOHK-APWZRJJASA-N 2 1 301.478 2.760 20 0 DFADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422803038 296335863 /nfs/dbraw/zinc/33/58/63/296335863.db2.gz CHUSYAMAMOCCSV-QZTJIDSGSA-N 2 1 317.477 2.918 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000422809290 296337082 /nfs/dbraw/zinc/33/70/82/296337082.db2.gz LXCCHZFKCUVNHN-IKGGRYGDSA-N 2 1 319.493 2.513 20 0 DFADMP Cc1csc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000422810597 296337182 /nfs/dbraw/zinc/33/71/82/296337182.db2.gz NVDPHTUFIZNSGU-YOEHRIQHSA-N 2 1 315.442 2.797 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841407 399505914 /nfs/dbraw/zinc/50/59/14/399505914.db2.gz KHBNXCFCFYDECO-QLFBSQMISA-N 2 1 303.450 2.664 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841407 399505922 /nfs/dbraw/zinc/50/59/22/399505922.db2.gz KHBNXCFCFYDECO-QLFBSQMISA-N 2 1 303.450 2.664 20 0 DFADMP CC[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422812581 296337531 /nfs/dbraw/zinc/33/75/31/296337531.db2.gz WOVUDKOBNYWXLM-SXLOBPIMSA-N 2 1 315.505 2.930 20 0 DFADMP CC[C@H](CN[C@H]1CCCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422812581 296337532 /nfs/dbraw/zinc/33/75/32/296337532.db2.gz WOVUDKOBNYWXLM-SXLOBPIMSA-N 2 1 315.505 2.930 20 0 DFADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812179 296337594 /nfs/dbraw/zinc/33/75/94/296337594.db2.gz VSYUQLPWHNCURF-QFBILLFUSA-N 2 1 301.478 2.555 20 0 DFADMP C[C@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812177 296337660 /nfs/dbraw/zinc/33/76/60/296337660.db2.gz VSYUQLPWHNCURF-LPHOPBHVSA-N 2 1 301.478 2.555 20 0 DFADMP C[N@@H+](CCN[C@@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccc(F)cc1 ZINC000422818996 296339033 /nfs/dbraw/zinc/33/90/33/296339033.db2.gz LXRXGOOPOXTYHG-RBUKOAKNSA-N 2 1 313.420 2.992 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631842246 399505995 /nfs/dbraw/zinc/50/59/95/399505995.db2.gz XNUGYILXJQOAMK-HZSPNIEDSA-N 2 1 300.406 2.633 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)n1 ZINC000631842246 399505999 /nfs/dbraw/zinc/50/59/99/399505999.db2.gz XNUGYILXJQOAMK-HZSPNIEDSA-N 2 1 300.406 2.633 20 0 DFADMP C[C@@H](NCc1cccc(C[NH+]2CCCCCC2)c1)C1C[NH2+]C1 ZINC000422825105 296340065 /nfs/dbraw/zinc/34/00/65/296340065.db2.gz IXOFWHGXBTXFOI-MRXNPFEDSA-N 2 1 301.478 2.760 20 0 DFADMP [NH3+]C1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000422831310 296341228 /nfs/dbraw/zinc/34/12/28/296341228.db2.gz DPQSEFFYCBIONG-QQFBHYJXSA-N 3 1 307.507 2.820 20 0 DFADMP [NH3+]C1CCC([NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000422831310 296341229 /nfs/dbraw/zinc/34/12/29/296341229.db2.gz DPQSEFFYCBIONG-QQFBHYJXSA-N 3 1 307.507 2.820 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000422832445 296341357 /nfs/dbraw/zinc/34/13/57/296341357.db2.gz VBPDDGDJQSJVOV-SJORKVTESA-N 2 1 306.413 2.995 20 0 DFADMP CC[C@H](N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834059 296341846 /nfs/dbraw/zinc/34/18/46/296341846.db2.gz NGDAMSRRFTWZDK-QYZOEREBSA-N 2 1 301.478 2.771 20 0 DFADMP c1csc(C[N@@H+]2CCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422838489 296342497 /nfs/dbraw/zinc/34/24/97/296342497.db2.gz OOEIENZBVRLBGB-VPSFDDGASA-N 2 1 319.518 2.833 20 0 DFADMP c1csc(CN2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)c1 ZINC000422838489 296342498 /nfs/dbraw/zinc/34/24/98/296342498.db2.gz OOEIENZBVRLBGB-VPSFDDGASA-N 2 1 319.518 2.833 20 0 DFADMP Clc1cccc([C@@H](C[NH2+]C2CC[NH2+]CC2)N2CCCC2)c1 ZINC000422848487 296344380 /nfs/dbraw/zinc/34/43/80/296344380.db2.gz UBESAROQGBRATC-QGZVFWFLSA-N 2 1 307.869 2.819 20 0 DFADMP COCCOCCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422845581 296343817 /nfs/dbraw/zinc/34/38/17/296343817.db2.gz CJHWXVPDQLDMFS-QZTJIDSGSA-N 2 1 306.450 2.513 20 0 DFADMP CN(CCC[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000422870575 296347860 /nfs/dbraw/zinc/34/78/60/296347860.db2.gz YZMQTHDJAMQCCH-KGLIPLIRSA-N 2 1 301.356 2.605 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422872834 296347977 /nfs/dbraw/zinc/34/79/77/296347977.db2.gz IUXAZCLRSZOTJB-OKZBNKHCSA-N 2 1 318.461 2.640 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422872833 296348034 /nfs/dbraw/zinc/34/80/34/296348034.db2.gz IUXAZCLRSZOTJB-KZNAEPCWSA-N 2 1 318.461 2.640 20 0 DFADMP CC[C@@H](C(=O)N[C@](C)(C[NH3+])CC(C)C)[N@@H+](C)Cc1ccccc1 ZINC000422866363 296347156 /nfs/dbraw/zinc/34/71/56/296347156.db2.gz QIGGHFLFHNFGSV-HKUYNNGSSA-N 2 1 319.493 2.777 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@H]2CCC[C@H]2[NH3+])C1 ZINC000422874838 296348861 /nfs/dbraw/zinc/34/88/61/296348861.db2.gz DINFTDGXKHFZPP-LZQZEXGQSA-N 2 1 301.478 2.888 20 0 DFADMP CC[N@@H+](CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883874 296350129 /nfs/dbraw/zinc/35/01/29/296350129.db2.gz VUXALTNBLLUYTR-HKUYNNGSSA-N 2 1 317.477 2.562 20 0 DFADMP CCN(CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883874 296350130 /nfs/dbraw/zinc/35/01/30/296350130.db2.gz VUXALTNBLLUYTR-HKUYNNGSSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884342 296350191 /nfs/dbraw/zinc/35/01/91/296350191.db2.gz RWBBFLXSMLQZIR-HLNWXESRSA-N 2 1 317.521 2.903 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000422886838 296350952 /nfs/dbraw/zinc/35/09/52/296350952.db2.gz JTEASGNFQJQNNW-MJQMVNBJSA-N 3 1 303.494 2.860 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+][C@H]1[C@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422886838 296350953 /nfs/dbraw/zinc/35/09/53/296350953.db2.gz JTEASGNFQJQNNW-MJQMVNBJSA-N 2 1 303.494 2.860 20 0 DFADMP C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000422887058 296350784 /nfs/dbraw/zinc/35/07/84/296350784.db2.gz JXTSWTJYQZGEDB-SQIBXOBRSA-N 2 1 315.505 2.873 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000422900554 296353143 /nfs/dbraw/zinc/35/31/43/296353143.db2.gz JOLAKUINJJPUKO-IAGOWNOFSA-N 2 1 305.466 2.531 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1C[NH2+]C1 ZINC000422893987 296351887 /nfs/dbraw/zinc/35/18/87/296351887.db2.gz RXEYBXZEKKSSCO-IXDOHACOSA-N 3 1 315.505 2.862 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1)C1C[NH2+]C1 ZINC000422893987 296351888 /nfs/dbraw/zinc/35/18/88/296351888.db2.gz RXEYBXZEKKSSCO-IXDOHACOSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1)C1C[NH2+]C1 ZINC000422893987 296351889 /nfs/dbraw/zinc/35/18/89/296351889.db2.gz RXEYBXZEKKSSCO-IXDOHACOSA-N 2 1 315.505 2.862 20 0 DFADMP Fc1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422895430 296352178 /nfs/dbraw/zinc/35/21/78/296352178.db2.gz VZBNQKWXEILHFX-SJLPKXTDSA-N 2 1 313.376 2.566 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H](C)c2c[nH+]ccc2N)cc1 ZINC000422895583 296352199 /nfs/dbraw/zinc/35/21/99/296352199.db2.gz GGKBGWZRSHMNHD-ZDUSSCGKSA-N 2 1 301.390 2.622 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)CO ZINC000347415961 285043387 /nfs/dbraw/zinc/04/33/87/285043387.db2.gz PQUNHHBOWUDYFS-ZLTBNTPESA-N 2 1 302.462 2.789 20 0 DFADMP c1cc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCCCC2)cc2c1OCO2 ZINC000422905923 296354229 /nfs/dbraw/zinc/35/42/29/296354229.db2.gz ZVHCPOKVJDXZKB-HNNXBMFYSA-N 2 1 302.418 2.569 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@H](C)CCC[NH3+])CC2)cs1 ZINC000422914521 296355286 /nfs/dbraw/zinc/35/52/86/296355286.db2.gz UPBCGAIXXSEYPR-CQSZACIVSA-N 3 1 324.538 2.635 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119964251 195071047 /nfs/dbraw/zinc/07/10/47/195071047.db2.gz PXNDSVJQSVFXCS-KQTLUZQSSA-N 2 1 322.884 2.632 20 0 DFADMP CC(C)[C@@H](CN[C@@H](C)C[C@H](C)[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422925606 296356109 /nfs/dbraw/zinc/35/61/09/296356109.db2.gz BIPYLAXEGWVCAA-TXPKVOOTSA-N 2 1 303.494 2.785 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@@H](C)C[C@H](C)[NH3+])N1CCc2ccccc2C1 ZINC000422925606 296356110 /nfs/dbraw/zinc/35/61/10/296356110.db2.gz BIPYLAXEGWVCAA-TXPKVOOTSA-N 2 1 303.494 2.785 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1nc(-c2ccncc2)cs1 ZINC000422913404 296355079 /nfs/dbraw/zinc/35/50/79/296355079.db2.gz PXTZPTUTXAWOEB-OBJOEFQTSA-N 2 1 302.447 2.854 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ncccc1Cl ZINC000422931564 296357197 /nfs/dbraw/zinc/35/71/97/296357197.db2.gz XVCKSWIKRLPZKA-BBRMVZONSA-N 2 1 319.836 2.662 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccccc1CN1C[C@@H](C)O[C@H](C)C1 ZINC000422933993 296357274 /nfs/dbraw/zinc/35/72/74/296357274.db2.gz BWQDHULILNQWOJ-MWDXBVQZSA-N 2 1 319.493 2.511 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccc(Cl)cn1 ZINC000422928319 296356424 /nfs/dbraw/zinc/35/64/24/296356424.db2.gz KAJVNMCYTIYQAQ-CZUORRHYSA-N 2 1 319.836 2.662 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422937660 296357893 /nfs/dbraw/zinc/35/78/93/296357893.db2.gz JQDSGKOALUKEBI-OTWHNJEPSA-N 3 1 301.478 2.539 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422937660 296357894 /nfs/dbraw/zinc/35/78/94/296357894.db2.gz JQDSGKOALUKEBI-OTWHNJEPSA-N 3 1 301.478 2.539 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1sccc1Br ZINC000422938241 296358273 /nfs/dbraw/zinc/35/82/73/296358273.db2.gz DJCOVBBHPQTOJY-ONGXEEELSA-N 2 1 303.269 2.988 20 0 DFADMP COC(=O)CC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000422959481 296360985 /nfs/dbraw/zinc/36/09/85/296360985.db2.gz SFHDJSKNSJPAQV-FCLJQHQZSA-N 2 1 302.418 2.554 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(NC3CCC([NH3+])CC3)c2)C[C@H](C)O1 ZINC000422953641 296360229 /nfs/dbraw/zinc/36/02/29/296360229.db2.gz GCZYJBCLWBYXQE-BXXOZEPKSA-N 2 1 317.477 2.978 20 0 DFADMP C[C@H]([NH2+]CCCc1nc(-c2ccncc2)cs1)[C@@H]1CCC[NH2+]1 ZINC000422954475 296360494 /nfs/dbraw/zinc/36/04/94/296360494.db2.gz ITWONTTVFDETNW-ZFWWWQNUSA-N 2 1 316.474 2.868 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422961839 296361338 /nfs/dbraw/zinc/36/13/38/296361338.db2.gz BEFFKDZBTUMRRV-DGCLKSJQSA-N 2 1 318.387 2.839 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422961115 296361387 /nfs/dbraw/zinc/36/13/87/296361387.db2.gz ANNSEMKOGQSKAI-RHSMWYFYSA-N 2 1 303.450 2.881 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)[C@@H]1CCC[NH2+]1 ZINC000422961382 296361402 /nfs/dbraw/zinc/36/14/02/296361402.db2.gz BOKCQSHILKPVPB-APWZRJJASA-N 2 1 312.461 2.843 20 0 DFADMP COCCNc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422962791 296361540 /nfs/dbraw/zinc/36/15/40/296361540.db2.gz DGSAYJRKMASTDX-MOPGFXCFSA-N 2 1 311.429 2.979 20 0 DFADMP c1cn2c(n1)[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c3ccccc3)C1)CCC2 ZINC000422964346 296361622 /nfs/dbraw/zinc/36/16/22/296361622.db2.gz IKWAGWWCTDHXON-BZSNNMDCSA-N 2 1 310.445 2.843 20 0 DFADMP COCCNc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422962792 296361785 /nfs/dbraw/zinc/36/17/85/296361785.db2.gz DGSAYJRKMASTDX-OALUTQOASA-N 2 1 311.429 2.979 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1c[nH+]ccc1N ZINC000422965388 296362056 /nfs/dbraw/zinc/36/20/56/296362056.db2.gz LAJPZFIBZAKUHX-RHSMWYFYSA-N 2 1 313.445 2.947 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H]1C[NH2+]CC[C@H]1C ZINC000422965250 296362136 /nfs/dbraw/zinc/36/21/36/296362136.db2.gz ODQBFQAVZOFINL-BEFAXECRSA-N 2 1 312.461 2.701 20 0 DFADMP CSc1cc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])ccn1 ZINC000422986810 296364178 /nfs/dbraw/zinc/36/41/78/296364178.db2.gz HKMBQBWJYDFTMP-CZUORRHYSA-N 2 1 301.459 2.852 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423003863 296366154 /nfs/dbraw/zinc/36/61/54/296366154.db2.gz NKSNLFUKNFFCCL-KSSFIOAISA-N 2 1 308.429 2.654 20 0 DFADMP COc1cccc(COCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)c1 ZINC000422999435 296365527 /nfs/dbraw/zinc/36/55/27/296365527.db2.gz FAUOHVPIOCMHSI-MOPGFXCFSA-N 2 1 312.413 2.946 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423009711 296367035 /nfs/dbraw/zinc/36/70/35/296367035.db2.gz DMKCNYRJLJGPDE-KKBVYLPWSA-N 2 1 307.869 2.815 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1)[C@@H]1CCC[NH2+]1 ZINC000423009711 296367036 /nfs/dbraw/zinc/36/70/36/296367036.db2.gz DMKCNYRJLJGPDE-KKBVYLPWSA-N 2 1 307.869 2.815 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CCC[C@@H]1[NH3+] ZINC000423009389 296367249 /nfs/dbraw/zinc/36/72/49/296367249.db2.gz VLIDSSYPPVABKL-OALUTQOASA-N 2 1 313.445 2.881 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CNCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423006556 296366539 /nfs/dbraw/zinc/36/65/39/296366539.db2.gz VTDGRWSYWSYCQU-LFGUQSLTSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423006556 296366541 /nfs/dbraw/zinc/36/65/41/296366541.db2.gz VTDGRWSYWSYCQU-LFGUQSLTSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423006556 296366544 /nfs/dbraw/zinc/36/65/44/296366544.db2.gz VTDGRWSYWSYCQU-LFGUQSLTSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(Cc2ccccc2)c1 ZINC000423015820 296368246 /nfs/dbraw/zinc/36/82/46/296368246.db2.gz RWQXNQANHXHWDZ-QXGIVVGOSA-N 2 1 310.445 2.865 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)c1nc(-c2ccccc2)no1)c1c[nH+]ccc1N ZINC000423017388 296368293 /nfs/dbraw/zinc/36/82/93/296368293.db2.gz WGGLLZPTTXGKEY-QWHCGFSZSA-N 2 1 323.400 2.998 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)c(F)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423029771 296369532 /nfs/dbraw/zinc/36/95/32/296369532.db2.gz VKZJUBSGUPPTIV-HSMVNMDESA-N 2 1 311.832 2.788 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)ccc1Cl ZINC000423037327 296370682 /nfs/dbraw/zinc/37/06/82/296370682.db2.gz MQGVZDYQSQLVJQ-UAGQMJEPSA-N 2 1 308.853 2.895 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000620622225 399545126 /nfs/dbraw/zinc/54/51/26/399545126.db2.gz HXJONIVGUDXMNE-QGZVFWFLSA-N 2 1 319.493 2.916 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)CN1CCCCCC1 ZINC000423045045 296371340 /nfs/dbraw/zinc/37/13/40/296371340.db2.gz BGBZAZSMRBSQAT-HUUCEWRRSA-N 2 1 304.482 2.764 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1cccc(C(F)(F)F)c1)N(C)C)C1C[NH2+]C1 ZINC000423048291 296371658 /nfs/dbraw/zinc/37/16/58/296371658.db2.gz IHJCUFLKGLSWKZ-ABAIWWIYSA-N 2 1 315.383 2.506 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423046015 296371729 /nfs/dbraw/zinc/37/17/29/296371729.db2.gz DTTRQEDXZMZAFN-TZMCWYRMSA-N 2 1 308.223 2.900 20 0 DFADMP CN(C)[C@H](C[NH2+]C1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000423051531 296372463 /nfs/dbraw/zinc/37/24/63/296372463.db2.gz OEZNTOMAYXTEAJ-OAHLLOKOSA-N 2 1 315.383 2.650 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CCC[C@H]2C[NH+]2CCCCC2)s1 ZINC000347638772 285106955 /nfs/dbraw/zinc/10/69/55/285106955.db2.gz NOCUCORRDCJBJP-HNNXBMFYSA-N 2 1 322.522 2.655 20 0 DFADMP C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059361 296373301 /nfs/dbraw/zinc/37/33/01/296373301.db2.gz FKIDQLCDZVIJQG-SNRMKQJTSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423064516 296373941 /nfs/dbraw/zinc/37/39/41/296373941.db2.gz RMUBOSMPAGQCLI-XUXIUFHCSA-N 2 1 308.388 2.590 20 0 DFADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159044922 197321937 /nfs/dbraw/zinc/32/19/37/197321937.db2.gz GGAICTPKPXLIFT-CEXWTWQISA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@H]1CCC[NH2+]1 ZINC000423076891 296375668 /nfs/dbraw/zinc/37/56/68/296375668.db2.gz SBHVQSKJWTYARC-JEDBISTDSA-N 2 1 320.452 2.630 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423087375 296376605 /nfs/dbraw/zinc/37/66/05/296376605.db2.gz PJOYJQYLZXEFAC-JCHJZTRSSA-N 2 1 318.436 2.950 20 0 DFADMP Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423095658 296378030 /nfs/dbraw/zinc/37/80/30/296378030.db2.gz MVUXEKIQDSAFKV-JQHSSLGASA-N 2 1 306.425 2.505 20 0 DFADMP COCCSCCC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375734658 285125819 /nfs/dbraw/zinc/12/58/19/285125819.db2.gz XHOTWNLAHRZKIA-NVXWUHKLSA-N 2 1 312.523 2.705 20 0 DFADMP COCCSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000375734658 285125820 /nfs/dbraw/zinc/12/58/20/285125820.db2.gz XHOTWNLAHRZKIA-NVXWUHKLSA-N 2 1 312.523 2.705 20 0 DFADMP COCCSCCC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000375734658 285125821 /nfs/dbraw/zinc/12/58/21/285125821.db2.gz XHOTWNLAHRZKIA-NVXWUHKLSA-N 2 1 312.523 2.705 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000616997976 399560039 /nfs/dbraw/zinc/56/00/39/399560039.db2.gz DPYXZCMDXBSCLJ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000616997976 399560044 /nfs/dbraw/zinc/56/00/44/399560044.db2.gz DPYXZCMDXBSCLJ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000616997976 399560049 /nfs/dbraw/zinc/56/00/49/399560049.db2.gz DPYXZCMDXBSCLJ-RDJZCZTQSA-N 2 1 321.509 2.630 20 0 DFADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423112505 296380070 /nfs/dbraw/zinc/38/00/70/296380070.db2.gz XKCJCFNBWXCRPQ-YJGITHLRSA-N 2 1 314.473 2.853 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119136 296380596 /nfs/dbraw/zinc/38/05/96/296380596.db2.gz BGXKZJYVUUHIOS-IEZWGBDMSA-N 2 1 317.477 2.561 20 0 DFADMP CC(C)N(C)C[C@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119136 296380597 /nfs/dbraw/zinc/38/05/97/296380597.db2.gz BGXKZJYVUUHIOS-IEZWGBDMSA-N 2 1 317.477 2.561 20 0 DFADMP CSC1(C[NH2+][C@H]2C[C@H](N)c3ccccc32)CC[NH+](C)CC1 ZINC000423118819 296380726 /nfs/dbraw/zinc/38/07/26/296380726.db2.gz AHBZCGHGYULSID-HOTGVXAUSA-N 2 1 305.491 2.548 20 0 DFADMP CSC1(CN[C@H]2C[C@H]([NH3+])c3ccccc32)CC[NH+](C)CC1 ZINC000423118819 296380727 /nfs/dbraw/zinc/38/07/27/296380727.db2.gz AHBZCGHGYULSID-HOTGVXAUSA-N 2 1 305.491 2.548 20 0 DFADMP Brc1ccccc1C1(C[NH2+][C@@H]2CC[NH2+]C2)CCC1 ZINC000423124213 296381396 /nfs/dbraw/zinc/38/13/96/296381396.db2.gz GDDNEBZZPKWKQL-GFCCVEGCSA-N 2 1 309.251 2.822 20 0 DFADMP OC[C@@H]1CCC[C@H](C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423124212 296381467 /nfs/dbraw/zinc/38/14/67/296381467.db2.gz MGJPGAUXTKCUCB-QFHJOOASSA-N 2 1 302.462 2.868 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@]2(CO)C[C@H]2c2ccccc2)c2ccccc21 ZINC000423124030 296381487 /nfs/dbraw/zinc/38/14/87/296381487.db2.gz NYZQSLZIJGQOBH-ZGXWSNOMSA-N 2 1 308.425 2.887 20 0 DFADMP Fc1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423130707 296382338 /nfs/dbraw/zinc/38/23/38/296382338.db2.gz NFSHTBDPWGOSTQ-QXAKKESOSA-N 2 1 318.436 2.950 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423133773 296382602 /nfs/dbraw/zinc/38/26/02/296382602.db2.gz CWFYCZQFSRZXPC-RLLQIKCJSA-N 2 1 315.505 2.876 20 0 DFADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000423134020 296382648 /nfs/dbraw/zinc/38/26/48/296382648.db2.gz RGBIHQQXFIAMGH-SJQORLFUSA-N 2 1 318.436 2.818 20 0 DFADMP c1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C2CC2)cc1 ZINC000423134062 296382805 /nfs/dbraw/zinc/38/28/05/296382805.db2.gz RNTAVYWSWQXWDB-WCIQWLHISA-N 2 1 314.473 2.927 20 0 DFADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@@H]2[NH3+])N(C)C)cc1 ZINC000423136787 296383233 /nfs/dbraw/zinc/38/32/33/296383233.db2.gz ZLILBXDAUICZMH-FHWLQOOXSA-N 2 1 303.494 2.957 20 0 DFADMP C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@H]1CCC[NH2+]1 ZINC000423140070 296383774 /nfs/dbraw/zinc/38/37/74/296383774.db2.gz XBLMDIAXCPNWOF-XJKSGUPXSA-N 2 1 320.506 2.784 20 0 DFADMP CC[NH+](CC)CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000158351797 197265592 /nfs/dbraw/zinc/26/55/92/197265592.db2.gz DBYBGNGULDSLOK-UHFFFAOYSA-N 2 1 303.450 2.939 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423148459 296385036 /nfs/dbraw/zinc/38/50/36/296385036.db2.gz GCADRFABNHUYBX-DFNIBXOVSA-N 2 1 313.489 2.914 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000423148459 296385038 /nfs/dbraw/zinc/38/50/38/296385038.db2.gz GCADRFABNHUYBX-DFNIBXOVSA-N 2 1 313.489 2.914 20 0 DFADMP COCCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000158254820 197256584 /nfs/dbraw/zinc/25/65/84/197256584.db2.gz ORYUFDGHDQUWGP-UHFFFAOYSA-N 2 1 308.441 2.849 20 0 DFADMP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423149848 296385325 /nfs/dbraw/zinc/38/53/25/296385325.db2.gz XZHVEQXEZLQAKT-QXAKKESOSA-N 2 1 318.436 2.950 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288725767 220373132 /nfs/dbraw/zinc/37/31/32/220373132.db2.gz GDQVLBKCPVSVTB-LJQANCHMSA-N 2 1 322.468 2.785 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](CO)(Cc2ccc(F)cc2)C1 ZINC000288725767 220373136 /nfs/dbraw/zinc/37/31/36/220373136.db2.gz GDQVLBKCPVSVTB-LJQANCHMSA-N 2 1 322.468 2.785 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000423182479 296389193 /nfs/dbraw/zinc/38/91/93/296389193.db2.gz DYFHLROQCOQDQS-IPMKNSEASA-N 2 1 317.477 2.746 20 0 DFADMP [NH3+]CCCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423177105 296388409 /nfs/dbraw/zinc/38/84/09/296388409.db2.gz AFVJMVURMRWDFT-GUDVDZBRSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423177105 296388410 /nfs/dbraw/zinc/38/84/10/296388410.db2.gz AFVJMVURMRWDFT-GUDVDZBRSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]CCC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423177105 296388411 /nfs/dbraw/zinc/38/84/11/296388411.db2.gz AFVJMVURMRWDFT-GUDVDZBRSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]CCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423177104 296388638 /nfs/dbraw/zinc/38/86/38/296388638.db2.gz AFVJMVURMRWDFT-GBESFXJTSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423177104 296388641 /nfs/dbraw/zinc/38/86/41/296388641.db2.gz AFVJMVURMRWDFT-GBESFXJTSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423177104 296388643 /nfs/dbraw/zinc/38/86/43/296388643.db2.gz AFVJMVURMRWDFT-GBESFXJTSA-N 3 1 301.478 2.616 20 0 DFADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423182822 296389311 /nfs/dbraw/zinc/38/93/11/296389311.db2.gz FPMPTPPBYWKWTH-IAGOWNOFSA-N 2 1 305.466 2.743 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C12CCCC2 ZINC000423185921 296389595 /nfs/dbraw/zinc/38/95/95/296389595.db2.gz KGCONPPBYCTMJF-ROUUACIJSA-N 2 1 317.477 2.889 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C12CCCC2 ZINC000423185923 296389834 /nfs/dbraw/zinc/38/98/34/296389834.db2.gz KGCONPPBYCTMJF-ZWKOTPCHSA-N 2 1 317.477 2.889 20 0 DFADMP COc1cccc2c1CC[C@@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191553 296390488 /nfs/dbraw/zinc/39/04/88/296390488.db2.gz SWYZTADVGSPAAJ-SFHVURJKSA-N 2 1 311.429 2.847 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1 ZINC000423193659 296390717 /nfs/dbraw/zinc/39/07/17/296390717.db2.gz XSCXYPZNRQRLFJ-GBESFXJTSA-N 2 1 317.477 2.746 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423210974 296392815 /nfs/dbraw/zinc/39/28/15/296392815.db2.gz KJISWYOGAVINEH-IUODEOHRSA-N 2 1 316.367 2.982 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC[C@@H](C)[NH3+])c(Br)c1 ZINC000423222310 296393964 /nfs/dbraw/zinc/39/39/64/296393964.db2.gz AOPFOIXPHDWBBB-NXEZZACHSA-N 2 1 301.228 2.846 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000620762177 399585526 /nfs/dbraw/zinc/58/55/26/399585526.db2.gz KJYCWZREYIEAKT-GOSISDBHSA-N 2 1 310.445 2.787 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000620762177 399585532 /nfs/dbraw/zinc/58/55/32/399585532.db2.gz KJYCWZREYIEAKT-GOSISDBHSA-N 2 1 310.445 2.787 20 0 DFADMP CSc1ccc(CN2CCC([NH+]3CCOCC3)CC2)cc1 ZINC000625550904 399585744 /nfs/dbraw/zinc/58/57/44/399585744.db2.gz BNRCOLUQDSUKPX-UHFFFAOYSA-N 2 1 306.475 2.705 20 0 DFADMP C[C@H]([NH3+])CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423227134 296394653 /nfs/dbraw/zinc/39/46/53/296394653.db2.gz UPCDLASCNCQYSY-AITUJVMLSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423227134 296394654 /nfs/dbraw/zinc/39/46/54/296394654.db2.gz UPCDLASCNCQYSY-AITUJVMLSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423227134 296394656 /nfs/dbraw/zinc/39/46/56/296394656.db2.gz UPCDLASCNCQYSY-AITUJVMLSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H](CO)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000271409781 208890544 /nfs/dbraw/zinc/89/05/44/208890544.db2.gz ALNSKBIXTIDLBI-KRWDZBQOSA-N 2 1 304.478 2.692 20 0 DFADMP CC[NH2+]CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423244032 296396405 /nfs/dbraw/zinc/39/64/05/296396405.db2.gz XCAOAFYLXNLVKG-OTWHNJEPSA-N 2 1 301.478 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](NC[C@@H]4CCC[NH2+]4)[C@@H]3C2)cc1 ZINC000423246634 296396626 /nfs/dbraw/zinc/39/66/26/296396626.db2.gz ZOVLMESHCHBWFD-HAGHYFMRSA-N 2 1 313.489 2.629 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000423265794 296398466 /nfs/dbraw/zinc/39/84/66/296398466.db2.gz RJBSIKCVKLKPBF-KBXCAEBGSA-N 2 1 317.477 2.947 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCCC[C@H]2C[NH3+])nnn1-c1ccccc1 ZINC000423263605 296398314 /nfs/dbraw/zinc/39/83/14/296398314.db2.gz BEACQNUOGNTXPW-JLJPHGGASA-N 2 1 313.449 2.744 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 ZINC000271655221 209098163 /nfs/dbraw/zinc/09/81/63/209098163.db2.gz CEWTWDVZUWOIAK-KDOFPFPSSA-N 2 1 306.450 2.845 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c1OC ZINC000423260437 296397627 /nfs/dbraw/zinc/39/76/27/296397627.db2.gz HLMYLBUXKJDOTQ-CZUORRHYSA-N 2 1 308.466 2.906 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+][C@H](C[NH3+])CC(C)C)cc1OC ZINC000423259907 296397667 /nfs/dbraw/zinc/39/76/67/296397667.db2.gz FZTPTADQYISNQR-ZBFHGGJFSA-N 2 1 308.466 2.906 20 0 DFADMP CC(C)C[C@H](C[NH3+])N[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423271568 296399261 /nfs/dbraw/zinc/39/92/61/296399261.db2.gz YACNVWXVPXISIF-QXAKKESOSA-N 2 1 303.494 2.860 20 0 DFADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423271873 296399306 /nfs/dbraw/zinc/39/93/06/296399306.db2.gz HQBXARULTFUHMF-YMTOWFKASA-N 2 1 315.230 2.846 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423274575 296399528 /nfs/dbraw/zinc/39/95/28/296399528.db2.gz MBSLVPSXSONVDI-FFGOWVMKSA-N 2 1 315.505 2.875 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423274575 296399529 /nfs/dbraw/zinc/39/95/29/296399529.db2.gz MBSLVPSXSONVDI-FFGOWVMKSA-N 3 1 315.505 2.875 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423274575 296399531 /nfs/dbraw/zinc/39/95/31/296399531.db2.gz MBSLVPSXSONVDI-FFGOWVMKSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423266890 296398485 /nfs/dbraw/zinc/39/84/85/296398485.db2.gz DWOTVROQHUMRDZ-POAQFYNOSA-N 3 1 315.505 2.799 20 0 DFADMP C[C@H]1CC[C@H]([NH2+]C2CCN(c3ccc(F)cc3F)CC2)C[NH2+]1 ZINC000629397534 399593738 /nfs/dbraw/zinc/59/37/38/399593738.db2.gz XDNMLIHJRSOHAG-WFASDCNBSA-N 2 1 309.404 2.664 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@H](C)c1ccc(OC)cc1Br ZINC000423269092 296398828 /nfs/dbraw/zinc/39/88/28/296398828.db2.gz GMUHEMFYBQIXHL-GHMZBOCLSA-N 2 1 315.255 2.964 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)c1cnn(C)c1)[N@H+](C)Cc1ccccc1 ZINC000156210260 197095899 /nfs/dbraw/zinc/09/58/99/197095899.db2.gz HRMFRTPEYOFNQD-CVEARBPZSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)c1cnn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000156210260 197095901 /nfs/dbraw/zinc/09/59/01/197095901.db2.gz HRMFRTPEYOFNQD-CVEARBPZSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347900294 285232120 /nfs/dbraw/zinc/23/21/20/285232120.db2.gz JMLQZCYXZDJIBR-LMMKCTJWSA-N 2 1 324.472 2.908 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000347900293 285232183 /nfs/dbraw/zinc/23/21/83/285232183.db2.gz JMLQZCYXZDJIBR-AOIWGVFYSA-N 2 1 324.472 2.908 20 0 DFADMP C[C@H](CNc1nc(N2Cc3ccccc3C2)cc[nH+]1)C[NH+](C)C ZINC000624238453 399609612 /nfs/dbraw/zinc/60/96/12/399609612.db2.gz RKNWMQWPISWZMC-CQSZACIVSA-N 2 1 311.433 2.606 20 0 DFADMP COC[C@]1(C[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCC[NH2+]1 ZINC000423413072 296414455 /nfs/dbraw/zinc/41/44/55/296414455.db2.gz JPTXGVVAKUNTOE-QXAKKESOSA-N 2 1 318.461 2.513 20 0 DFADMP Cc1ccc(C)c([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c2ccccc2)c1 ZINC000423436739 296416327 /nfs/dbraw/zinc/41/63/27/296416327.db2.gz TXNUOAWTKBMWFJ-YSIASYRMSA-N 2 1 310.441 2.563 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)ccc1F ZINC000423475352 296419747 /nfs/dbraw/zinc/41/97/47/296419747.db2.gz KETUSAZEFJIZMG-CMPLNLGQSA-N 2 1 302.340 2.730 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)[C@@H](C)[C@H]1OC ZINC000423475414 296419797 /nfs/dbraw/zinc/41/97/97/296419797.db2.gz KJFFYGFQMRXYTB-XJFOESAGSA-N 2 1 304.425 2.661 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1F ZINC000423475991 296419824 /nfs/dbraw/zinc/41/98/24/296419824.db2.gz LAAYFQBMQFWLHS-PWSUYJOCSA-N 2 1 302.340 2.730 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423492612 296421801 /nfs/dbraw/zinc/42/18/01/296421801.db2.gz NYFJALSJRKQZCQ-CRAIPNDOSA-N 2 1 306.450 2.895 20 0 DFADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCS2 ZINC000423493034 296421968 /nfs/dbraw/zinc/42/19/68/296421968.db2.gz PHALKZILORYXIC-GDBMZVCRSA-N 2 1 306.475 2.808 20 0 DFADMP COc1ccc2cc([C@H](C)[NH2+]C[C@@H]3C[NH2+]CCCO3)ccc2c1 ZINC000423504360 296423236 /nfs/dbraw/zinc/42/32/36/296423236.db2.gz FWQMAEJAACNCKT-LIRRHRJNSA-N 2 1 314.429 2.878 20 0 DFADMP O=C1OCC[C@H]1CC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000120612494 195201384 /nfs/dbraw/zinc/20/13/84/195201384.db2.gz MSOPJPBMMRXNIA-IAGOWNOFSA-N 2 1 308.466 2.528 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]Cc3ccc[nH]c3=O)CC2)C1 ZINC000624257790 399618076 /nfs/dbraw/zinc/61/80/76/399618076.db2.gz QLHHEGPVGGNVMR-RHSMWYFYSA-N 2 1 303.450 2.920 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)CC1(SC)CCC1 ZINC000356313411 285281886 /nfs/dbraw/zinc/28/18/86/285281886.db2.gz YRQVZSNXHVYBDA-INIZCTEOSA-N 2 1 313.555 2.620 20 0 DFADMP Cc1c[nH+]ccc1OC1CCN(CC[NH+]2CCCCC2)CC1 ZINC000289488701 221012436 /nfs/dbraw/zinc/01/24/36/221012436.db2.gz YURPHQRIPAEXIA-UHFFFAOYSA-N 2 1 303.450 2.719 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CC4=CCCOC4)C3)C2)cc1 ZINC000289518270 221035279 /nfs/dbraw/zinc/03/52/79/221035279.db2.gz GZQIBMUJBPIRMQ-FQEVSTJZSA-N 2 1 312.457 2.931 20 0 DFADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CC4=CCCOC4)C3)C2)cc1 ZINC000289518270 221035282 /nfs/dbraw/zinc/03/52/82/221035282.db2.gz GZQIBMUJBPIRMQ-FQEVSTJZSA-N 2 1 312.457 2.931 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CC4=CCCOC4)C3)C2)cc1 ZINC000289518270 221035284 /nfs/dbraw/zinc/03/52/84/221035284.db2.gz GZQIBMUJBPIRMQ-FQEVSTJZSA-N 2 1 312.457 2.931 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000294879033 224281149 /nfs/dbraw/zinc/28/11/49/224281149.db2.gz VKFSTEIEUZWLFY-VBSBHUPXSA-N 2 1 316.489 2.895 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000624311219 399635220 /nfs/dbraw/zinc/63/52/20/399635220.db2.gz VFMDSISFELJMOV-DSLXNQLJSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cs1 ZINC000629521760 399635407 /nfs/dbraw/zinc/63/54/07/399635407.db2.gz TWIPVZYMCBWTKN-SECBINFHSA-N 2 1 319.268 2.669 20 0 DFADMP CCO[C@@H](C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000629522873 399635557 /nfs/dbraw/zinc/63/55/57/399635557.db2.gz HYQIDIVXWYUVNI-ZBFHGGJFSA-N 2 1 323.506 2.678 20 0 DFADMP CCO[C@@H](C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000629522873 399635563 /nfs/dbraw/zinc/63/55/63/399635563.db2.gz HYQIDIVXWYUVNI-ZBFHGGJFSA-N 2 1 323.506 2.678 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000289895620 221299289 /nfs/dbraw/zinc/29/92/89/221299289.db2.gz YCDRLHHBDYLNGG-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP CCO[C@@H](C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000629522872 399635690 /nfs/dbraw/zinc/63/56/90/399635690.db2.gz HYQIDIVXWYUVNI-HOCLYGCPSA-N 2 1 323.506 2.678 20 0 DFADMP CCO[C@@H](C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1)C1CC1 ZINC000629522872 399635694 /nfs/dbraw/zinc/63/56/94/399635694.db2.gz HYQIDIVXWYUVNI-HOCLYGCPSA-N 2 1 323.506 2.678 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289982711 221360659 /nfs/dbraw/zinc/36/06/59/221360659.db2.gz XZBOAURBJWFCKS-LDLYASANSA-N 2 1 310.445 2.737 20 0 DFADMP CN(CC[N@@H+](C)Cc1cccc2cc[nH]c21)C1CC[NH+](C)CC1 ZINC000289977719 221355869 /nfs/dbraw/zinc/35/58/69/221355869.db2.gz ZPFUUHDKVMKYOB-UHFFFAOYSA-N 2 1 314.477 2.626 20 0 DFADMP C[C@@H]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C[NH2+]1 ZINC000629538423 399640293 /nfs/dbraw/zinc/64/02/93/399640293.db2.gz JOLSHYUCANASRN-KCITZHQASA-N 2 1 301.478 2.770 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+][C@@H]2CC[C@H](C)[NH2+]C2)cc1OC ZINC000629542899 399641665 /nfs/dbraw/zinc/64/16/65/399641665.db2.gz OPQVZAHRVPJKLB-KNCOVGOOSA-N 2 1 306.450 2.926 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(Oc2ccccc2)c1 ZINC000629577124 399653697 /nfs/dbraw/zinc/65/36/97/399653697.db2.gz PZDKXMTYCAGFHG-UHFFFAOYSA-N 2 1 300.402 2.886 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CCOc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629562862 399650471 /nfs/dbraw/zinc/65/04/71/399650471.db2.gz CVLIAGLPFUNMTE-FZMZJTMJSA-N 2 1 320.330 2.664 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCOc2ccc(F)cc2)CC[C@@H]1C(F)(F)F ZINC000629562862 399650474 /nfs/dbraw/zinc/65/04/74/399650474.db2.gz CVLIAGLPFUNMTE-FZMZJTMJSA-N 2 1 320.330 2.664 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563657 399651003 /nfs/dbraw/zinc/65/10/03/399651003.db2.gz QAOMQCJLFSQQBB-JSGCOSHPSA-N 2 1 302.340 2.654 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563657 399651009 /nfs/dbraw/zinc/65/10/09/399651009.db2.gz QAOMQCJLFSQQBB-JSGCOSHPSA-N 2 1 302.340 2.654 20 0 DFADMP Cc1cccc(OCC[N@@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563279 399651129 /nfs/dbraw/zinc/65/11/29/399651129.db2.gz DNSBSODVRYNZGV-ZFWWWQNUSA-N 2 1 316.367 2.833 20 0 DFADMP Cc1cccc(OCC[N@H+]2CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C2)c1 ZINC000629563279 399651137 /nfs/dbraw/zinc/65/11/37/399651137.db2.gz DNSBSODVRYNZGV-ZFWWWQNUSA-N 2 1 316.367 2.833 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@@H]1C(F)(F)F ZINC000629656412 399677576 /nfs/dbraw/zinc/67/75/76/399677576.db2.gz OHNUZDQKUKWRSK-KGLIPLIRSA-N 2 1 313.367 2.614 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@@H]1C(F)(F)F ZINC000629656412 399677578 /nfs/dbraw/zinc/67/75/78/399677578.db2.gz OHNUZDQKUKWRSK-KGLIPLIRSA-N 2 1 313.367 2.614 20 0 DFADMP Cc1ccnc(NC[C@@H]2CCN(Cc3nccn3C(F)F)C2)c1 ZINC000624484649 399686609 /nfs/dbraw/zinc/68/66/09/399686609.db2.gz IQUYVBZMJRRFBX-ZDUSSCGKSA-N 2 1 321.375 2.916 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824196 542543166 /nfs/dbraw/zinc/54/31/66/542543166.db2.gz BZHBZTMHXAKDDL-GOSISDBHSA-N 2 1 315.461 2.748 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824196 542543170 /nfs/dbraw/zinc/54/31/70/542543170.db2.gz BZHBZTMHXAKDDL-GOSISDBHSA-N 2 1 315.461 2.748 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)CO1 ZINC000092018385 542544026 /nfs/dbraw/zinc/54/40/26/542544026.db2.gz UHJSMAYGQOJYPR-IAGOWNOFSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)CO1 ZINC000092018385 542544031 /nfs/dbraw/zinc/54/40/31/542544031.db2.gz UHJSMAYGQOJYPR-IAGOWNOFSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000617504805 399720377 /nfs/dbraw/zinc/72/03/77/399720377.db2.gz KTGMDFQHVYWKMR-YESZJQIVSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@H]1CCCC[C@@H]1C ZINC000617504805 399720383 /nfs/dbraw/zinc/72/03/83/399720383.db2.gz KTGMDFQHVYWKMR-YESZJQIVSA-N 2 1 311.514 2.591 20 0 DFADMP CC(C)C[C@@H](C)C[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000348089532 285339898 /nfs/dbraw/zinc/33/98/98/285339898.db2.gz VJOATJVDOBCGDD-IEBWSBKVSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)C[C@@H](C)C[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000348089532 285339902 /nfs/dbraw/zinc/33/99/02/285339902.db2.gz VJOATJVDOBCGDD-IEBWSBKVSA-N 2 1 304.478 2.895 20 0 DFADMP CCn1nccc1CN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119474478 542573068 /nfs/dbraw/zinc/57/30/68/542573068.db2.gz NBVBJNNCYXVZSI-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@H]1CCN(Cc2ccccc2)C[C@@H]1C ZINC000119474478 542573073 /nfs/dbraw/zinc/57/30/73/542573073.db2.gz NBVBJNNCYXVZSI-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000119474478 542573077 /nfs/dbraw/zinc/57/30/77/542573077.db2.gz NBVBJNNCYXVZSI-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000119474478 542573082 /nfs/dbraw/zinc/57/30/82/542573082.db2.gz NBVBJNNCYXVZSI-LPHOPBHVSA-N 2 1 312.461 2.903 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348098239 285346836 /nfs/dbraw/zinc/34/68/36/285346836.db2.gz ABKGEQLMSADRHO-SYQHCUMBSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000348098239 285346841 /nfs/dbraw/zinc/34/68/41/285346841.db2.gz ABKGEQLMSADRHO-SYQHCUMBSA-N 2 1 308.388 2.806 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000348110500 285355758 /nfs/dbraw/zinc/35/57/58/285355758.db2.gz MYFMDAVFEAGKLB-AKHDSKFASA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000348110500 285355759 /nfs/dbraw/zinc/35/57/59/285355759.db2.gz MYFMDAVFEAGKLB-AKHDSKFASA-N 2 1 302.462 2.648 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000120973447 195274212 /nfs/dbraw/zinc/27/42/12/195274212.db2.gz QQEALXJJGYGFTQ-INIZCTEOSA-N 2 1 312.417 2.652 20 0 DFADMP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CC[NH+](C)C1 ZINC000120973447 195274215 /nfs/dbraw/zinc/27/42/15/195274215.db2.gz QQEALXJJGYGFTQ-INIZCTEOSA-N 2 1 312.417 2.652 20 0 DFADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000120973447 195274219 /nfs/dbraw/zinc/27/42/19/195274219.db2.gz QQEALXJJGYGFTQ-INIZCTEOSA-N 2 1 312.417 2.652 20 0 DFADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000120973447 195274221 /nfs/dbraw/zinc/27/42/21/195274221.db2.gz QQEALXJJGYGFTQ-INIZCTEOSA-N 2 1 312.417 2.652 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[N@H+](C)Cc1ccccc1 ZINC000121049672 195287959 /nfs/dbraw/zinc/28/79/59/195287959.db2.gz DSUSXMYXXBJAHM-SFHVURJKSA-N 2 1 312.461 2.909 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000121049672 195287962 /nfs/dbraw/zinc/28/79/62/195287962.db2.gz DSUSXMYXXBJAHM-SFHVURJKSA-N 2 1 312.461 2.909 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C/C=C/c2ccc(F)cc2)CC1 ZINC000121132965 195297758 /nfs/dbraw/zinc/29/77/58/195297758.db2.gz MBVFIOHBHMTDOX-CWDCEQMOSA-N 2 1 320.452 2.864 20 0 DFADMP CC[N@H+]1CCC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121715200 195334238 /nfs/dbraw/zinc/33/42/38/195334238.db2.gz ZMUGGMRSTMQLGN-FQEVSTJZSA-N 2 1 315.505 2.767 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000348139670 285377086 /nfs/dbraw/zinc/37/70/86/285377086.db2.gz ONAVRUMRWVWBHK-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP CC[NH+]1CCN(C(=O)[C@H](C)[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000348139670 285377087 /nfs/dbraw/zinc/37/70/87/285377087.db2.gz ONAVRUMRWVWBHK-KRWDZBQOSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cc2c(s1)CCC2 ZINC000128421015 195962986 /nfs/dbraw/zinc/96/29/86/195962986.db2.gz BHBCVXKYHWDMSP-OAHLLOKOSA-N 2 1 321.534 2.915 20 0 DFADMP C[C@@H]([NH2+]CCC(C)(C)CO)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294736404 533373064 /nfs/dbraw/zinc/37/30/64/533373064.db2.gz GTAZPDPNQLCMIB-AEFFLSMTSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294702351 533449845 /nfs/dbraw/zinc/44/98/45/533449845.db2.gz BGKZTINGLANMEP-LNRIEFBSSA-N 2 1 301.434 2.619 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309708445 533499969 /nfs/dbraw/zinc/49/99/69/533499969.db2.gz IULAICSKTHGGKT-UKBAYJJMSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000127972038 542616318 /nfs/dbraw/zinc/61/63/18/542616318.db2.gz ZUCRWEKERMWMKV-PBHICJAKSA-N 2 1 318.465 2.789 20 0 DFADMP CC[NH+](CC)Cc1ccc(CNC(=O)C[N@@H+](C)C2CCC2)cc1 ZINC000629944664 399761312 /nfs/dbraw/zinc/76/13/12/399761312.db2.gz SUQONGFHZHVWRP-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CCOc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000603517305 399785920 /nfs/dbraw/zinc/78/59/20/399785920.db2.gz OGBUCLVLOSFXFS-IBGZPJMESA-N 2 1 318.461 2.818 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000156219683 542700014 /nfs/dbraw/zinc/70/00/14/542700014.db2.gz JYKKLZIYAHYZQQ-JQWIXIFHSA-N 2 1 300.349 2.608 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000156219683 542700019 /nfs/dbraw/zinc/70/00/19/542700019.db2.gz JYKKLZIYAHYZQQ-JQWIXIFHSA-N 2 1 300.349 2.608 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000166280511 542751591 /nfs/dbraw/zinc/75/15/91/542751591.db2.gz DXSNQMMYFIVPFS-PKOBYXMFSA-N 2 1 302.462 2.809 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166726186 542751693 /nfs/dbraw/zinc/75/16/93/542751693.db2.gz FQCYKVDKIXJTBK-BZUAXINKSA-N 2 1 304.434 2.679 20 0 DFADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166292210 542751740 /nfs/dbraw/zinc/75/17/40/542751740.db2.gz SDVYKOSOGNAZHB-BPLDGKMQSA-N 2 1 310.388 2.949 20 0 DFADMP COc1ccc(COCCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166467781 542751778 /nfs/dbraw/zinc/75/17/78/542751778.db2.gz FKYCVDLFRFYYNG-ZWKOTPCHSA-N 2 1 318.461 2.818 20 0 DFADMP C(C1CCCC1)[NH+]1CCC(N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000166388764 542751919 /nfs/dbraw/zinc/75/19/19/542751919.db2.gz JOLNBSKFBSPZFI-RTBURBONSA-N 2 1 305.510 2.857 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C2CC2)C2CCCCC2)CC1 ZINC000603933020 399818753 /nfs/dbraw/zinc/81/87/53/399818753.db2.gz QONOBLMGNFBZFZ-UHFFFAOYSA-N 2 1 321.509 2.773 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCc3cc(OC)c(OC)cc32)CC1 ZINC000280254275 542987702 /nfs/dbraw/zinc/98/77/02/542987702.db2.gz WUWVEYCSSAMKKN-INIZCTEOSA-N 2 1 304.434 2.765 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)oc1C ZINC000292755752 543017083 /nfs/dbraw/zinc/01/70/83/543017083.db2.gz XFIRQKHNXBNBRD-NOLJZWGESA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)oc1C ZINC000292755752 543017088 /nfs/dbraw/zinc/01/70/88/543017088.db2.gz XFIRQKHNXBNBRD-NOLJZWGESA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)oc1C ZINC000292755752 543017092 /nfs/dbraw/zinc/01/70/92/543017092.db2.gz XFIRQKHNXBNBRD-NOLJZWGESA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1cc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)oc1C ZINC000292755752 543017098 /nfs/dbraw/zinc/01/70/98/543017098.db2.gz XFIRQKHNXBNBRD-NOLJZWGESA-N 2 1 320.433 2.852 20 0 DFADMP Cc1cc(N2CCN([C@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301300331 543046529 /nfs/dbraw/zinc/04/65/29/543046529.db2.gz QTAKYQDKXVCPEM-KRWDZBQOSA-N 2 1 324.472 2.759 20 0 DFADMP Cc1cc(N2CC[NH+]([C@H]3CCCN(C)C3)CC2)c2ccccc2[nH+]1 ZINC000301300331 543046532 /nfs/dbraw/zinc/04/65/32/543046532.db2.gz QTAKYQDKXVCPEM-KRWDZBQOSA-N 2 1 324.472 2.759 20 0 DFADMP CCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@H]1CC[N@@H+](CC)C1 ZINC000617929289 399839262 /nfs/dbraw/zinc/83/92/62/399839262.db2.gz FWKBVYSQXMPFEF-HNNXBMFYSA-N 2 1 321.465 2.678 20 0 DFADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319721110 543080261 /nfs/dbraw/zinc/08/02/61/543080261.db2.gz MLAMPHMENBSZEE-APAFKAMOSA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319721110 543080264 /nfs/dbraw/zinc/08/02/64/543080264.db2.gz MLAMPHMENBSZEE-APAFKAMOSA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H]2[C@@H]2CCCC[C@@H]2O)C1 ZINC000319721110 543080268 /nfs/dbraw/zinc/08/02/68/543080268.db2.gz MLAMPHMENBSZEE-APAFKAMOSA-N 2 1 308.510 2.980 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1cccc(F)c1 ZINC000321266051 543085001 /nfs/dbraw/zinc/08/50/01/543085001.db2.gz GNKCKVZIOXPIEK-WMLDXEAASA-N 2 1 319.424 2.618 20 0 DFADMP Cc1cn2c(CNC3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C)nc2s1 ZINC000322451496 543089261 /nfs/dbraw/zinc/08/92/61/543089261.db2.gz UWDSGLQILRTUQO-AGUYFDCRSA-N 2 1 304.463 2.727 20 0 DFADMP Cc1cn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C)nc2s1 ZINC000322451496 543089263 /nfs/dbraw/zinc/08/92/63/543089263.db2.gz UWDSGLQILRTUQO-AGUYFDCRSA-N 2 1 304.463 2.727 20 0 DFADMP Cc1cn2c(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C)nc2s1 ZINC000322451496 543089266 /nfs/dbraw/zinc/08/92/66/543089266.db2.gz UWDSGLQILRTUQO-AGUYFDCRSA-N 2 1 304.463 2.727 20 0 DFADMP CCCc1ccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604388342 399843965 /nfs/dbraw/zinc/84/39/65/399843965.db2.gz ATUSOWYJNMHQKC-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCCc1ccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604388342 399843967 /nfs/dbraw/zinc/84/39/67/399843967.db2.gz ATUSOWYJNMHQKC-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP OC1CCC(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000323374312 543092932 /nfs/dbraw/zinc/09/29/32/543092932.db2.gz FGOXRGPLZQXCGR-UHFFFAOYSA-N 2 1 316.489 2.834 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@@H](CNc2cc(C)ccn2)C1)C1CC1 ZINC000625156101 399855384 /nfs/dbraw/zinc/85/53/84/399855384.db2.gz UXGICYBQPHFWMW-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@@H](C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000625156101 399855389 /nfs/dbraw/zinc/85/53/89/399855389.db2.gz UXGICYBQPHFWMW-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000625156101 399855392 /nfs/dbraw/zinc/85/53/92/399855392.db2.gz UXGICYBQPHFWMW-RDJZCZTQSA-N 2 1 303.450 2.939 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068975 543139622 /nfs/dbraw/zinc/13/96/22/543139622.db2.gz SYAQSHDEZHVDPJ-MSOLQXFVSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339072148 543139637 /nfs/dbraw/zinc/13/96/37/543139637.db2.gz UAGJJHKTLKLIOO-MSOLQXFVSA-N 2 1 315.461 2.998 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070215 543139779 /nfs/dbraw/zinc/13/97/79/543139779.db2.gz ZNXRIXXTNGPFSW-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070215 543139781 /nfs/dbraw/zinc/13/97/81/543139781.db2.gz ZNXRIXXTNGPFSW-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(F)cc1 ZINC000339070215 543139782 /nfs/dbraw/zinc/13/97/82/543139782.db2.gz ZNXRIXXTNGPFSW-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066869 543140033 /nfs/dbraw/zinc/14/00/33/543140033.db2.gz IIMMSLGFPOJFIV-OALUTQOASA-N 3 1 307.526 2.961 20 0 DFADMP CN(CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1F ZINC000339070030 543140057 /nfs/dbraw/zinc/14/00/57/543140057.db2.gz VTOXNQPJIUBDRA-CVEARBPZSA-N 2 1 305.441 2.868 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000340242929 543151490 /nfs/dbraw/zinc/15/14/90/543151490.db2.gz BTTHSDCYVMROIJ-CADBVGFASA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@H]1c1ccccc1 ZINC000340242929 543151491 /nfs/dbraw/zinc/15/14/91/543151491.db2.gz BTTHSDCYVMROIJ-CADBVGFASA-N 2 1 302.462 2.963 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CC[C@@H]2C2CC2)c1 ZINC000348088616 543182803 /nfs/dbraw/zinc/18/28/03/543182803.db2.gz RHONCYSYAUNURA-MOPGFXCFSA-N 2 1 300.446 2.797 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CO)Cc2ccccc2)[C@H](C)C1 ZINC000358057142 543265703 /nfs/dbraw/zinc/26/57/03/543265703.db2.gz PFGZRODBBOXSJG-NEWSRXKRSA-N 2 1 304.478 2.548 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000425340662 296569379 /nfs/dbraw/zinc/56/93/79/296569379.db2.gz FELOVSDTGUOTOU-LSDHHAIUSA-N 2 1 306.479 2.546 20 0 DFADMP CCN(CCC[NH+]1CCCC1)Cc1ncc(C[NH+](C)C)s1 ZINC000349407278 285858078 /nfs/dbraw/zinc/85/80/78/285858078.db2.gz NDZOUBMZJGYAEN-UHFFFAOYSA-N 2 1 310.511 2.513 20 0 DFADMP CCC[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000389794622 543305100 /nfs/dbraw/zinc/30/51/00/543305100.db2.gz SOIDRABGOANWHZ-XLIONFOSSA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)CC1 ZINC000389794622 543305104 /nfs/dbraw/zinc/30/51/04/543305104.db2.gz SOIDRABGOANWHZ-XLIONFOSSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000349452464 285865746 /nfs/dbraw/zinc/86/57/46/285865746.db2.gz JSOBCNZEOKHEFO-DNVCBOLYSA-N 2 1 321.428 2.997 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000390915886 543308309 /nfs/dbraw/zinc/30/83/09/543308309.db2.gz UHTRNXWMQAKWJW-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390915886 543308310 /nfs/dbraw/zinc/30/83/10/543308310.db2.gz UHTRNXWMQAKWJW-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390915886 543308313 /nfs/dbraw/zinc/30/83/13/543308313.db2.gz UHTRNXWMQAKWJW-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000165352467 145229681 /nfs/dbraw/zinc/22/96/81/145229681.db2.gz VWJRXPIZNKBQID-HNAYVOBHSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000165352467 145229684 /nfs/dbraw/zinc/22/96/84/145229684.db2.gz VWJRXPIZNKBQID-HNAYVOBHSA-N 2 1 319.468 2.862 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000165898373 145232826 /nfs/dbraw/zinc/23/28/26/145232826.db2.gz KGINKHUPNQRKQA-RYQLBKOJSA-N 2 1 317.477 2.531 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000167146798 145238747 /nfs/dbraw/zinc/23/87/47/145238747.db2.gz WFVKUBBGTYXQGX-WMZOPIPTSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000167146798 145238750 /nfs/dbraw/zinc/23/87/50/145238750.db2.gz WFVKUBBGTYXQGX-WMZOPIPTSA-N 2 1 320.477 2.840 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416335439 543332471 /nfs/dbraw/zinc/33/24/71/543332471.db2.gz UYCGUMHDOSRJLE-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP CC(C)([NH3+])C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414797412 543327306 /nfs/dbraw/zinc/32/73/06/543327306.db2.gz CZFUXMXGYCGYLA-UHFFFAOYSA-N 2 1 308.223 2.824 20 0 DFADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414982684 543328266 /nfs/dbraw/zinc/32/82/66/543328266.db2.gz SCPBWNSCXYXLDJ-NSHDSACASA-N 2 1 308.223 2.824 20 0 DFADMP CCOc1c(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)c(C)nn1CC(C)C ZINC000414932608 543328306 /nfs/dbraw/zinc/32/83/06/543328306.db2.gz VWRDMKZCTMYUAM-LSDHHAIUSA-N 2 1 308.470 2.606 20 0 DFADMP COc1cccc(C([NH2+]CCC[NH3+])c2cccc(OC)c2)c1 ZINC000415078716 543328649 /nfs/dbraw/zinc/32/86/49/543328649.db2.gz GVPIBNYQRCRXCO-UHFFFAOYSA-N 2 1 300.402 2.732 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1[C@H](C)CC[C@H]1C ZINC000174721243 145388472 /nfs/dbraw/zinc/38/84/72/145388472.db2.gz OAWMSBUWOXVCNZ-XLMAVXFVSA-N 2 1 321.509 2.628 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630510218 399896298 /nfs/dbraw/zinc/89/62/98/399896298.db2.gz UNQGVKNWOPDUBY-CJNGLKHVSA-N 2 1 309.417 2.536 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630510734 399896847 /nfs/dbraw/zinc/89/68/47/399896847.db2.gz ZDMVXCRWBTVRDW-WMLDXEAASA-N 2 1 323.444 2.926 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630510732 399896926 /nfs/dbraw/zinc/89/69/26/399896926.db2.gz ZDMVXCRWBTVRDW-PBHICJAKSA-N 2 1 323.444 2.926 20 0 DFADMP CC1(CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)CC[NH2+]CC1 ZINC000630514716 399897093 /nfs/dbraw/zinc/89/70/93/399897093.db2.gz WOUCMAVJSGDKQH-UHFFFAOYSA-N 2 1 323.444 2.798 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631043460 399968464 /nfs/dbraw/zinc/96/84/64/399968464.db2.gz XCGFAGCFVJRPRT-HZPDHXFCSA-N 2 1 318.509 2.757 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631065900 399973076 /nfs/dbraw/zinc/97/30/76/399973076.db2.gz VZIZLSPZPMXKBB-HNNXBMFYSA-N 2 1 304.482 2.509 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631065900 399973077 /nfs/dbraw/zinc/97/30/77/399973077.db2.gz VZIZLSPZPMXKBB-HNNXBMFYSA-N 2 1 304.482 2.509 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000631085272 399977539 /nfs/dbraw/zinc/97/75/39/399977539.db2.gz JMSOAOTUDCZKNA-MAUKXSAKSA-N 2 1 311.429 2.930 20 0 DFADMP CC[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1)[NH+](CC)CC ZINC000628545445 400039837 /nfs/dbraw/zinc/03/98/37/400039837.db2.gz POJRRZIIKWHXGD-DLBZAZTESA-N 2 1 309.498 2.630 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000634122567 399985681 /nfs/dbraw/zinc/98/56/81/399985681.db2.gz JZZCYWRRIZJRSV-QGZVFWFLSA-N 2 1 321.509 2.726 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000634122566 399985751 /nfs/dbraw/zinc/98/57/51/399985751.db2.gz JZZCYWRRIZJRSV-KRWDZBQOSA-N 2 1 321.509 2.726 20 0 DFADMP CCn1cncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631195059 400000853 /nfs/dbraw/zinc/00/08/53/400000853.db2.gz SHYLOKWYVUKYDG-AEFFLSMTSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1cncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631195059 400000854 /nfs/dbraw/zinc/00/08/54/400000854.db2.gz SHYLOKWYVUKYDG-AEFFLSMTSA-N 2 1 312.461 2.761 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000631195025 400000914 /nfs/dbraw/zinc/00/09/14/400000914.db2.gz AECLEPHUCVUESS-RDJZCZTQSA-N 2 1 314.429 2.630 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000631195025 400000916 /nfs/dbraw/zinc/00/09/16/400000916.db2.gz AECLEPHUCVUESS-RDJZCZTQSA-N 2 1 314.429 2.630 20 0 DFADMP CCn1cncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195067 400001096 /nfs/dbraw/zinc/00/10/96/400001096.db2.gz SHYLOKWYVUKYDG-WMZOPIPTSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1cncc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000631195067 400001099 /nfs/dbraw/zinc/00/10/99/400001099.db2.gz SHYLOKWYVUKYDG-WMZOPIPTSA-N 2 1 312.461 2.761 20 0 DFADMP Cc1nc(C)c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)o1 ZINC000628204566 400001234 /nfs/dbraw/zinc/00/12/34/400001234.db2.gz DDEDNAPDVDRFEI-UHFFFAOYSA-N 2 1 303.406 2.522 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CC1=CCCOC1 ZINC000631196061 400001528 /nfs/dbraw/zinc/00/15/28/400001528.db2.gz NKDSKDLNRNAYNV-QFBILLFUSA-N 2 1 300.446 2.691 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@@H](C)O1 ZINC000631221057 400006725 /nfs/dbraw/zinc/00/67/25/400006725.db2.gz DUEPUFCNWAFYFK-CLCXKQKWSA-N 2 1 320.452 2.988 20 0 DFADMP C[C@@H](Cc1ccc(-c2ccccc2)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000631579237 400054209 /nfs/dbraw/zinc/05/42/09/400054209.db2.gz DULLIGRWSQWQAP-OXJNMPFZSA-N 2 1 312.457 2.797 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000631601752 400057283 /nfs/dbraw/zinc/05/72/83/400057283.db2.gz VKJGFHHWQLKSBM-XSLAGTTESA-N 2 1 306.494 2.902 20 0 DFADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000631621795 400058944 /nfs/dbraw/zinc/05/89/44/400058944.db2.gz LDTACJZPJURTPT-BEFAXECRSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631661720 400063523 /nfs/dbraw/zinc/06/35/23/400063523.db2.gz BWGPIIKVZWELRF-ZHALLVOQSA-N 2 1 324.472 2.765 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631663342 400063584 /nfs/dbraw/zinc/06/35/84/400063584.db2.gz IOHFEHWIGLHPPR-LMMKCTJWSA-N 2 1 312.461 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000631662956 400063628 /nfs/dbraw/zinc/06/36/28/400063628.db2.gz GVTZSXBYMZSYSC-XYJFISCASA-N 2 1 312.461 2.839 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1ccnn1C ZINC000631662956 400063630 /nfs/dbraw/zinc/06/36/30/400063630.db2.gz GVTZSXBYMZSYSC-XYJFISCASA-N 2 1 312.461 2.839 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1cnn(C)c1 ZINC000631668193 400064298 /nfs/dbraw/zinc/06/42/98/400064298.db2.gz WBQILNCIORDPIS-RYRKJORJSA-N 2 1 312.461 2.839 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)c1cnn(C)c1 ZINC000631668197 400064327 /nfs/dbraw/zinc/06/43/27/400064327.db2.gz WBQILNCIORDPIS-XYJFISCASA-N 2 1 312.461 2.839 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631754508 400072622 /nfs/dbraw/zinc/07/26/22/400072622.db2.gz JPULCJVKSKIPGX-REWJHTLYSA-N 2 1 308.388 2.664 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@@H](C)C1 ZINC000631754508 400072623 /nfs/dbraw/zinc/07/26/23/400072623.db2.gz JPULCJVKSKIPGX-REWJHTLYSA-N 2 1 308.388 2.664 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000631793440 400075919 /nfs/dbraw/zinc/07/59/19/400075919.db2.gz GZZJVDUXHUFEKR-YSIASYRMSA-N 2 1 315.505 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000631793440 400075920 /nfs/dbraw/zinc/07/59/20/400075920.db2.gz GZZJVDUXHUFEKR-YSIASYRMSA-N 2 1 315.505 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000631793440 400075921 /nfs/dbraw/zinc/07/59/21/400075921.db2.gz GZZJVDUXHUFEKR-YSIASYRMSA-N 2 1 315.505 2.921 20 0 DFADMP C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631837263 400078759 /nfs/dbraw/zinc/07/87/59/400078759.db2.gz PWDKPQQCEDUESS-YJBOKZPZSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@@H]1C[NH3+] ZINC000631837263 400078760 /nfs/dbraw/zinc/07/87/60/400078760.db2.gz PWDKPQQCEDUESS-YJBOKZPZSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C[C@@H]1C[NH3+] ZINC000631839824 400078864 /nfs/dbraw/zinc/07/88/64/400078864.db2.gz LKCSOFUDYNYBNN-AAEUAGOBSA-N 2 1 302.340 2.654 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000631839374 400079081 /nfs/dbraw/zinc/07/90/81/400079081.db2.gz FRFFGFJNIYDJKX-CRAIPNDOSA-N 2 1 311.429 2.687 20 0 DFADMP CC[C@@H]1CC[C@@H](C)C[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430717113 543346838 /nfs/dbraw/zinc/34/68/38/543346838.db2.gz FMUQBCOFMUVNMY-JFIYKMOQSA-N 2 1 323.525 2.734 20 0 DFADMP Brc1ccc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)nc1 ZINC000437982929 543352521 /nfs/dbraw/zinc/35/25/21/543352521.db2.gz GKXDXSGSRXRKGE-AWEZNQCLSA-N 2 1 321.222 2.705 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCOC1CCCCCC1 ZINC000441259444 543354903 /nfs/dbraw/zinc/35/49/03/543354903.db2.gz DOWYRFGEMXNVHD-QRQLOZEOSA-N 2 1 324.509 2.909 20 0 DFADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@@H+]1CCCCn1cc[nH+]c1C ZINC000245565559 146083240 /nfs/dbraw/zinc/08/32/40/146083240.db2.gz DRCZBPWKFOCWME-IKGGRYGDSA-N 2 1 319.449 2.778 20 0 DFADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[N@H+]1CCCCn1cc[nH+]c1C ZINC000245565559 146083242 /nfs/dbraw/zinc/08/32/42/146083242.db2.gz DRCZBPWKFOCWME-IKGGRYGDSA-N 2 1 319.449 2.778 20 0 DFADMP C[C@H](CCCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245745676 146099371 /nfs/dbraw/zinc/09/93/71/146099371.db2.gz SLVJVFQQFYZMGG-OQIJWPOYSA-N 2 1 302.462 2.933 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)c1C ZINC000246225457 146132282 /nfs/dbraw/zinc/13/22/82/146132282.db2.gz DZZCGLXFNMHKNJ-DYVFJYSZSA-N 2 1 314.433 2.987 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000246296531 146136690 /nfs/dbraw/zinc/13/66/90/146136690.db2.gz BMDLTFLXXMAPPQ-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000246296531 146136693 /nfs/dbraw/zinc/13/66/93/146136693.db2.gz BMDLTFLXXMAPPQ-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP OCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000248872621 146172722 /nfs/dbraw/zinc/17/27/22/146172722.db2.gz IISFLDCSOAELBR-LDLYASANSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000249041520 146183683 /nfs/dbraw/zinc/18/36/83/146183683.db2.gz UVUYSVDQSNTNHD-OUUBHVDSSA-N 2 1 314.473 2.933 20 0 DFADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000250127780 146210792 /nfs/dbraw/zinc/21/07/92/146210792.db2.gz WOBKMHWOVIVDIS-RMMWZPCPSA-N 2 1 314.473 2.790 20 0 DFADMP CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261539651 146238454 /nfs/dbraw/zinc/23/84/54/146238454.db2.gz CXLNSPIIDSMLBU-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532488 146238493 /nfs/dbraw/zinc/23/84/93/146238493.db2.gz AJILRXROTUFREI-GDAAHCPNSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261532488 146238495 /nfs/dbraw/zinc/23/84/95/146238495.db2.gz AJILRXROTUFREI-GDAAHCPNSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261532488 146238497 /nfs/dbraw/zinc/23/84/97/146238497.db2.gz AJILRXROTUFREI-GDAAHCPNSA-N 3 1 301.478 2.757 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000261564368 146240557 /nfs/dbraw/zinc/24/05/57/146240557.db2.gz HHSCCAOVJKZAAF-CORIIIEPSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(Br)c1 ZINC000261564368 146240559 /nfs/dbraw/zinc/24/05/59/146240559.db2.gz HHSCCAOVJKZAAF-CORIIIEPSA-N 2 1 309.251 2.927 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261557892 146241469 /nfs/dbraw/zinc/24/14/69/146241469.db2.gz XUNGPLRXHAOUDC-GBESFXJTSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261557892 146241473 /nfs/dbraw/zinc/24/14/73/146241473.db2.gz XUNGPLRXHAOUDC-GBESFXJTSA-N 2 1 301.478 2.758 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261584999 146242133 /nfs/dbraw/zinc/24/21/33/146242133.db2.gz STNAMPVNPLOCMM-KCQAQPDRSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1Br ZINC000261584999 146242138 /nfs/dbraw/zinc/24/21/38/146242138.db2.gz STNAMPVNPLOCMM-KCQAQPDRSA-N 2 1 309.251 2.927 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000261601727 146244399 /nfs/dbraw/zinc/24/43/99/146244399.db2.gz AGMRQVAOOFFIGE-LJQANCHMSA-N 2 1 311.429 2.831 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261637757 146250471 /nfs/dbraw/zinc/25/04/71/146250471.db2.gz IIQLNFLWPKZMSQ-AWEZNQCLSA-N 2 1 300.324 2.771 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261637757 146250474 /nfs/dbraw/zinc/25/04/74/146250474.db2.gz IIQLNFLWPKZMSQ-AWEZNQCLSA-N 2 1 300.324 2.771 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261656349 146254846 /nfs/dbraw/zinc/25/48/46/146254846.db2.gz BITWOPBOXHSSNH-SZMVWBNQSA-N 2 1 310.445 2.565 20 0 DFADMP c1ccc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000261661034 146255274 /nfs/dbraw/zinc/25/52/74/146255274.db2.gz GERXZUGTNWOSQC-INIZCTEOSA-N 2 1 312.417 2.701 20 0 DFADMP Cc1oc(-c2cccs2)nc1C[N@@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261694537 146260694 /nfs/dbraw/zinc/26/06/94/146260694.db2.gz NOKSLLPBSHIWSL-AVGNSLFASA-N 2 1 303.431 2.881 20 0 DFADMP Cc1oc(-c2cccs2)nc1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000261694537 146260697 /nfs/dbraw/zinc/26/06/97/146260697.db2.gz NOKSLLPBSHIWSL-AVGNSLFASA-N 2 1 303.431 2.881 20 0 DFADMP c1coc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)[NH+]2CCCC2)c1 ZINC000261740103 146269799 /nfs/dbraw/zinc/26/97/99/146269799.db2.gz NUMGDZQICUYXFA-FJIDUMEYSA-N 2 1 317.477 2.927 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261775934 146274688 /nfs/dbraw/zinc/27/46/88/146274688.db2.gz FAFQAHGXZBWDSR-KBPBESRZSA-N 2 1 302.397 2.571 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000261775934 146274691 /nfs/dbraw/zinc/27/46/91/146274691.db2.gz FAFQAHGXZBWDSR-KBPBESRZSA-N 2 1 302.397 2.571 20 0 DFADMP N[C@@H]1C[N@@H+](Cc2cccc(-n3cccn3)c2)C[C@H]1c1ccccc1 ZINC000261786128 146275739 /nfs/dbraw/zinc/27/57/39/146275739.db2.gz KOKBGWNOWPCVNC-VQTJNVASSA-N 2 1 318.424 2.799 20 0 DFADMP C[C@@H](c1cccc(C(F)(F)F)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000261853290 146288941 /nfs/dbraw/zinc/28/89/41/146288941.db2.gz DVGYVQIRRJSPJQ-ZDUSSCGKSA-N 2 1 315.383 2.603 20 0 DFADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1Cl ZINC000261877218 146293713 /nfs/dbraw/zinc/29/37/13/146293713.db2.gz DUMZDLGEMAQYHB-MAZHCROVSA-N 2 1 312.816 2.726 20 0 DFADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261898015 146297474 /nfs/dbraw/zinc/29/74/74/146297474.db2.gz HIWOKGBYFDLXBA-XMTFNYHQSA-N 2 1 318.461 2.509 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261898673 146297739 /nfs/dbraw/zinc/29/77/39/146297739.db2.gz ONYPWSCHPJTLBO-GVDBMIGSSA-N 2 1 315.461 2.610 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(C)c1 ZINC000261898673 146297740 /nfs/dbraw/zinc/29/77/40/146297740.db2.gz ONYPWSCHPJTLBO-GVDBMIGSSA-N 2 1 315.461 2.610 20 0 DFADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000261900436 146297970 /nfs/dbraw/zinc/29/79/70/146297970.db2.gz HOSDOQNHXHCEIG-QRVBRYPASA-N 2 1 302.462 2.593 20 0 DFADMP O=C(C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1)Nc1cccc(Cl)c1 ZINC000261923549 146302301 /nfs/dbraw/zinc/30/23/01/146302301.db2.gz IFXGWQCOBSUOSI-INIZCTEOSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(NC[C@H]1CCC[N@@H+](CCC2CCCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000261944546 146307513 /nfs/dbraw/zinc/30/75/13/146307513.db2.gz VJCRODQKEYZXTE-QZTJIDSGSA-N 2 1 321.509 2.537 20 0 DFADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261970258 146311845 /nfs/dbraw/zinc/31/18/45/146311845.db2.gz QKWNAPBIWKAMOK-IPMKNSEASA-N 2 1 302.462 2.593 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000261971668 146313962 /nfs/dbraw/zinc/31/39/62/146313962.db2.gz QBHQSGVQEOWBFF-OAHLLOKOSA-N 2 1 303.450 2.809 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261990427 146317300 /nfs/dbraw/zinc/31/73/00/146317300.db2.gz KEORQTYTBAMHJS-AEFFLSMTSA-N 2 1 304.434 2.840 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)c1 ZINC000261990427 146317307 /nfs/dbraw/zinc/31/73/07/146317307.db2.gz KEORQTYTBAMHJS-AEFFLSMTSA-N 2 1 304.434 2.840 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262002456 146320610 /nfs/dbraw/zinc/32/06/10/146320610.db2.gz LLIUDLFMMNECES-HNNXBMFYSA-N 2 1 314.351 2.813 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000262002456 146320613 /nfs/dbraw/zinc/32/06/13/146320613.db2.gz LLIUDLFMMNECES-HNNXBMFYSA-N 2 1 314.351 2.813 20 0 DFADMP c1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262005680 146320634 /nfs/dbraw/zinc/32/06/34/146320634.db2.gz VAKWXGMIMNWHKU-ZACQAIPSSA-N 2 1 300.402 2.680 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000262025207 146323639 /nfs/dbraw/zinc/32/36/39/146323639.db2.gz NLMKJWFKPCSQDN-UHFFFAOYSA-N 2 1 318.461 2.807 20 0 DFADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262044763 146327134 /nfs/dbraw/zinc/32/71/34/146327134.db2.gz YYGYEOWTTYHECH-QRVBRYPASA-N 2 1 318.461 2.721 20 0 DFADMP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262049925 146327692 /nfs/dbraw/zinc/32/76/92/146327692.db2.gz ZOJSZTQFNOTVNI-KSZLIROESA-N 2 1 320.502 2.834 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000262047993 146327702 /nfs/dbraw/zinc/32/77/02/146327702.db2.gz ZHCPUGKZJSZXEE-QWHCGFSZSA-N 2 1 304.463 2.708 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000262053791 146328208 /nfs/dbraw/zinc/32/82/08/146328208.db2.gz QMKPCOCWLAHYJQ-LJQANCHMSA-N 2 1 310.445 2.581 20 0 DFADMP Cc1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)n1-c1ccccc1 ZINC000262060547 146328378 /nfs/dbraw/zinc/32/83/78/146328378.db2.gz RCKLCDJDMXRLQH-UHFFFAOYSA-N 2 1 310.445 2.756 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C[C@H]21 ZINC000262066700 146329689 /nfs/dbraw/zinc/32/96/89/146329689.db2.gz FOTIPAQSDPGYFY-GZBFAFLISA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C[C@H]21 ZINC000262066700 146329692 /nfs/dbraw/zinc/32/96/92/146329692.db2.gz FOTIPAQSDPGYFY-GZBFAFLISA-N 2 1 322.836 2.670 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262101979 146333099 /nfs/dbraw/zinc/33/30/99/146333099.db2.gz VROZUGDFFWCRGV-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262109058 146334617 /nfs/dbraw/zinc/33/46/17/146334617.db2.gz JPXFHTGGTBOALP-CFVMTHIKSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262109058 146334621 /nfs/dbraw/zinc/33/46/21/146334621.db2.gz JPXFHTGGTBOALP-CFVMTHIKSA-N 2 1 321.852 2.646 20 0 DFADMP C[N@@H+](Cc1ccc(OC[C@H]2CCCO2)cc1)CC(C)(C)C[NH3+] ZINC000262116270 146335540 /nfs/dbraw/zinc/33/55/40/146335540.db2.gz LJECRDZPSSSMMS-QGZVFWFLSA-N 2 1 306.450 2.661 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262305292 146350376 /nfs/dbraw/zinc/35/03/76/146350376.db2.gz OZXWFJQVSKTYQQ-JYJNAYRXSA-N 2 1 304.434 2.523 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000262355328 146353264 /nfs/dbraw/zinc/35/32/64/146353264.db2.gz VRXJFBDHJJIOTQ-WCQYABFASA-N 2 1 314.376 2.856 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000262351911 146353722 /nfs/dbraw/zinc/35/37/22/146353722.db2.gz VIDXLGRZHRZKSM-GBESFXJTSA-N 2 1 301.478 2.931 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000262390186 146355860 /nfs/dbraw/zinc/35/58/60/146355860.db2.gz ZRSRSPXARXTAKQ-UHFFFAOYSA-N 2 1 323.868 2.908 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1OC(F)F ZINC000262420291 146357930 /nfs/dbraw/zinc/35/79/30/146357930.db2.gz DYVAVFSOMFMWJD-WCQYABFASA-N 2 1 314.376 2.713 20 0 DFADMP COc1ccc(OC)c(C[N@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000262529721 146367777 /nfs/dbraw/zinc/36/77/77/146367777.db2.gz PKECCOFQJJNJRL-CQSZACIVSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](C[C@@H]2CCC[NH2+]C2)C2CC2)c1 ZINC000262529721 146367778 /nfs/dbraw/zinc/36/77/78/146367778.db2.gz PKECCOFQJJNJRL-CQSZACIVSA-N 2 1 304.434 2.668 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000262710872 146383877 /nfs/dbraw/zinc/38/38/77/146383877.db2.gz QLDJYTXYFFMQJZ-NUJGCVRESA-N 2 1 309.498 2.617 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1C(C)(C)C1(C)C ZINC000354333442 146997385 /nfs/dbraw/zinc/99/73/85/146997385.db2.gz YRWUHVVEEMFOPW-CQSZACIVSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000354408084 147025517 /nfs/dbraw/zinc/02/55/17/147025517.db2.gz LFFRPFOJIFHJBP-VQIMIIECSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000354408084 147025521 /nfs/dbraw/zinc/02/55/21/147025521.db2.gz LFFRPFOJIFHJBP-VQIMIIECSA-N 2 1 302.462 2.792 20 0 DFADMP Cc1nccn1CCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494079600 543413895 /nfs/dbraw/zinc/41/38/95/543413895.db2.gz VNDWMEHADONVRA-HNNXBMFYSA-N 2 1 322.453 2.523 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494079600 543413899 /nfs/dbraw/zinc/41/38/99/543413899.db2.gz VNDWMEHADONVRA-HNNXBMFYSA-N 2 1 322.453 2.523 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494079600 543413902 /nfs/dbraw/zinc/41/39/02/543413902.db2.gz VNDWMEHADONVRA-HNNXBMFYSA-N 2 1 322.453 2.523 20 0 DFADMP CC[N@@H+](CC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)C1CC1 ZINC000494091150 543414266 /nfs/dbraw/zinc/41/42/66/543414266.db2.gz XGPHDKAYWFPXBC-UHFFFAOYSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H]1CC[C@H](C[NH+]2CCC[C@H]([N@H+](C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000354673010 147112452 /nfs/dbraw/zinc/11/24/52/147112452.db2.gz NCWOVLSIHJWUCV-XCDZQEORSA-N 2 1 324.509 2.908 20 0 DFADMP C[C@@H]1CC[C@H](C[N@H+]2CCC[C@H]([NH+](C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000354673010 147112454 /nfs/dbraw/zinc/11/24/54/147112454.db2.gz NCWOVLSIHJWUCV-XCDZQEORSA-N 2 1 324.509 2.908 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+]2CCC[C@H]([NH+](C)C[C@@H]3CC[C@H](C)O3)CC2)O1 ZINC000354673010 147112457 /nfs/dbraw/zinc/11/24/57/147112457.db2.gz NCWOVLSIHJWUCV-XCDZQEORSA-N 2 1 324.509 2.908 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1scnc1C1CC1 ZINC000494941233 543416728 /nfs/dbraw/zinc/41/67/28/543416728.db2.gz USJWCDOBIXSGJZ-QLFBSQMISA-N 2 1 321.490 2.704 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2Cc1scnc1C1CC1 ZINC000494941233 543416731 /nfs/dbraw/zinc/41/67/31/543416731.db2.gz USJWCDOBIXSGJZ-QLFBSQMISA-N 2 1 321.490 2.704 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000354812197 147160980 /nfs/dbraw/zinc/16/09/80/147160980.db2.gz NNIMLGNGQPYZGJ-XLAORIBOSA-N 2 1 321.509 2.725 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000355330367 147267146 /nfs/dbraw/zinc/26/71/46/147267146.db2.gz CDWZDOMAAYIIQY-YQVWRLOYSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@H](C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000533878500 543436569 /nfs/dbraw/zinc/43/65/69/543436569.db2.gz IWKKSGXPCXUNRD-FSZRXZPDSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@H](C(=O)N[C@H]1C[NH+](C)Cc2ccccc21)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000533878500 543436570 /nfs/dbraw/zinc/43/65/70/543436570.db2.gz IWKKSGXPCXUNRD-FSZRXZPDSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@H](C(=O)N[C@H]1C[N@H+](C)Cc2ccccc21)[NH+]1[C@H](C)CC[C@@H]1C ZINC000533878500 543436571 /nfs/dbraw/zinc/43/65/71/543436571.db2.gz IWKKSGXPCXUNRD-FSZRXZPDSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@H](C(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1[C@H](C)CC[C@@H]1C ZINC000533878500 543436572 /nfs/dbraw/zinc/43/65/72/543436572.db2.gz IWKKSGXPCXUNRD-FSZRXZPDSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@H](C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000533878499 543436825 /nfs/dbraw/zinc/43/68/25/543436825.db2.gz IWKKSGXPCXUNRD-BASYENTBSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@H](C(=O)N[C@@H]1C[NH+](C)Cc2ccccc21)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000533878499 543436828 /nfs/dbraw/zinc/43/68/28/543436828.db2.gz IWKKSGXPCXUNRD-BASYENTBSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@H](C(=O)N[C@@H]1C[N@H+](C)Cc2ccccc21)[NH+]1[C@H](C)CC[C@@H]1C ZINC000533878499 543436832 /nfs/dbraw/zinc/43/68/32/543436832.db2.gz IWKKSGXPCXUNRD-BASYENTBSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@H](C(=O)N[C@@H]1C[N@@H+](C)Cc2ccccc21)[NH+]1[C@H](C)CC[C@@H]1C ZINC000533878499 543436836 /nfs/dbraw/zinc/43/68/36/543436836.db2.gz IWKKSGXPCXUNRD-BASYENTBSA-N 2 1 315.461 2.551 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000350077874 286000362 /nfs/dbraw/zinc/00/03/62/286000362.db2.gz ORBGKQZBJXDXKL-NEWSRXKRSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000350077874 286000364 /nfs/dbraw/zinc/00/03/64/286000364.db2.gz ORBGKQZBJXDXKL-NEWSRXKRSA-N 2 1 302.462 2.792 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC1([NH+](C)C)CCC1)c1cccc(Cl)c1 ZINC000438511848 297096728 /nfs/dbraw/zinc/09/67/28/297096728.db2.gz LLGFXPBXBGPZSR-HNNXBMFYSA-N 2 1 323.868 2.543 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)[C@@H](C)C1 ZINC000357597070 148051987 /nfs/dbraw/zinc/05/19/87/148051987.db2.gz GCIWRLIZTFKUMR-XIRDDKMYSA-N 2 1 304.482 2.641 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2nc(C)oc2C)[C@@H](C)C1 ZINC000357780504 148119407 /nfs/dbraw/zinc/11/94/07/148119407.db2.gz WJPWMTQJDJQLPW-YOEHRIQHSA-N 2 1 323.481 2.561 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012206 148210141 /nfs/dbraw/zinc/21/01/41/148210141.db2.gz HDARLASBVKAQJM-KBMXLJTQSA-N 2 1 304.434 2.839 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)c1ccc2c(c1)OCCO2 ZINC000358012206 148210145 /nfs/dbraw/zinc/21/01/45/148210145.db2.gz HDARLASBVKAQJM-KBMXLJTQSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000358061532 148229503 /nfs/dbraw/zinc/22/95/03/148229503.db2.gz LZOWZWDPWWELNX-DZGCQCFKSA-N 2 1 316.474 2.677 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(O)cc2)[C@@H](C)C1 ZINC000358103473 148244604 /nfs/dbraw/zinc/24/46/04/148244604.db2.gz WTYYYQVGBMHDMV-QFBILLFUSA-N 2 1 320.477 2.661 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133769 148255825 /nfs/dbraw/zinc/25/58/25/148255825.db2.gz QRMRJJNTLJPRNV-KXBFYZLASA-N 2 1 323.440 2.711 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+](C)C ZINC000425919229 296604082 /nfs/dbraw/zinc/60/40/82/296604082.db2.gz ITZBFEXLAZJGOD-OLZOCXBDSA-N 2 1 307.438 2.502 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358249673 148303179 /nfs/dbraw/zinc/30/31/79/148303179.db2.gz KTXZSEIKOKBUSR-LIRRHRJNSA-N 2 1 314.429 2.566 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358249673 148303182 /nfs/dbraw/zinc/30/31/82/148303182.db2.gz KTXZSEIKOKBUSR-LIRRHRJNSA-N 2 1 314.429 2.566 20 0 DFADMP CCCCCn1cc(CN[C@H]2C[N@@H+](C3CC3)C[C@@H]2C)c(C)n1 ZINC000358269129 148312199 /nfs/dbraw/zinc/31/21/99/148312199.db2.gz TVOQDMKBPWEPON-KSSFIOAISA-N 2 1 304.482 2.954 20 0 DFADMP CCCCCn1cc(CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)c(C)n1 ZINC000358269129 148312203 /nfs/dbraw/zinc/31/22/03/148312203.db2.gz TVOQDMKBPWEPON-KSSFIOAISA-N 2 1 304.482 2.954 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC[C@H]1COc2ccccc2O1 ZINC000358304109 148321538 /nfs/dbraw/zinc/32/15/38/148321538.db2.gz SERJPHQNIHGPEH-LVQVYYBASA-N 2 1 304.434 2.535 20 0 DFADMP CCC[N@@H+](C)CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000358562124 148386854 /nfs/dbraw/zinc/38/68/54/148386854.db2.gz NYGOKMIKVBRFCP-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573117 148389269 /nfs/dbraw/zinc/38/92/69/148389269.db2.gz QSQPFBMBAVODFK-MWDXBVQZSA-N 2 1 324.415 2.503 20 0 DFADMP CC(C)[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@@H](O)C3)c2)CC1 ZINC000361044168 149016847 /nfs/dbraw/zinc/01/68/47/149016847.db2.gz KJVRIRKDSYUIMH-LJQANCHMSA-N 2 1 317.477 2.538 20 0 DFADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C(F)F)n1 ZINC000361136758 149037819 /nfs/dbraw/zinc/03/78/19/149037819.db2.gz RWBNHTUFGSUMBW-UHFFFAOYSA-N 2 1 300.397 2.569 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C(C)(C)CC[NH+]2CCCCCC2)[nH]1 ZINC000361143192 149038213 /nfs/dbraw/zinc/03/82/13/149038213.db2.gz TVWCCMSKLJGGIZ-UHFFFAOYSA-N 2 1 321.465 2.936 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361334264 149087558 /nfs/dbraw/zinc/08/75/58/149087558.db2.gz FWTMXNWZZWZHFH-CWLKWCNXSA-N 2 1 322.518 2.742 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361334264 149087560 /nfs/dbraw/zinc/08/75/60/149087560.db2.gz FWTMXNWZZWZHFH-CWLKWCNXSA-N 2 1 322.518 2.742 20 0 DFADMP CCCC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000361383700 149100847 /nfs/dbraw/zinc/10/08/47/149100847.db2.gz FKTFPIDBVFFUKW-MJGOQNOKSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000361383700 149100848 /nfs/dbraw/zinc/10/08/48/149100848.db2.gz FKTFPIDBVFFUKW-MJGOQNOKSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C ZINC000361383700 149100849 /nfs/dbraw/zinc/10/08/49/149100849.db2.gz FKTFPIDBVFFUKW-MJGOQNOKSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000361383700 149100850 /nfs/dbraw/zinc/10/08/50/149100850.db2.gz FKTFPIDBVFFUKW-MJGOQNOKSA-N 2 1 318.509 2.614 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000361381551 149101690 /nfs/dbraw/zinc/10/16/90/149101690.db2.gz OKXMELUMVWXSCN-HOTGVXAUSA-N 2 1 319.424 2.920 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361392904 149102957 /nfs/dbraw/zinc/10/29/57/149102957.db2.gz VBSZRTMKXQRWAQ-AEFFLSMTSA-N 2 1 309.413 2.768 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)[C@H](C)CC)[C@H](C)C1 ZINC000361398621 149105896 /nfs/dbraw/zinc/10/58/96/149105896.db2.gz ABJBKYGPCFBIJD-BDXSIMOUSA-N 2 1 314.514 2.510 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2CC(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000361435826 149115126 /nfs/dbraw/zinc/11/51/26/149115126.db2.gz OJIXMBYVGFKTAY-BARLLCKDSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2CC(O)C2)CC[N@H+]1Cc1ccccc1 ZINC000361435826 149115128 /nfs/dbraw/zinc/11/51/28/149115128.db2.gz OJIXMBYVGFKTAY-BARLLCKDSA-N 2 1 302.462 2.790 20 0 DFADMP OC1CC(CC[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000361435168 149115418 /nfs/dbraw/zinc/11/54/18/149115418.db2.gz JXQHHIXYHBMUJP-UHFFFAOYSA-N 2 1 320.452 2.583 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000361494978 149130554 /nfs/dbraw/zinc/13/05/54/149130554.db2.gz BBEJFIAZDSNKBA-NUJGCVRESA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000361494978 149130556 /nfs/dbraw/zinc/13/05/56/149130556.db2.gz BBEJFIAZDSNKBA-NUJGCVRESA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000361494978 149130558 /nfs/dbraw/zinc/13/05/58/149130558.db2.gz BBEJFIAZDSNKBA-NUJGCVRESA-N 2 1 321.509 2.582 20 0 DFADMP CCOc1cc(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000361532025 149140671 /nfs/dbraw/zinc/14/06/71/149140671.db2.gz VJCZKXFGLDFVQN-WBVHZDCISA-N 2 1 320.477 2.956 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000361667083 149186300 /nfs/dbraw/zinc/18/63/00/149186300.db2.gz MMSOBGMOLQOSPA-HRCADAONSA-N 2 1 320.481 2.774 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361667083 149186301 /nfs/dbraw/zinc/18/63/01/149186301.db2.gz MMSOBGMOLQOSPA-HRCADAONSA-N 2 1 320.481 2.774 20 0 DFADMP CC(C)CNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361668485 149187553 /nfs/dbraw/zinc/18/75/53/149187553.db2.gz ZVBLLFKXKGDGRO-HZPDHXFCSA-N 2 1 320.481 2.632 20 0 DFADMP CC(C)CNC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361668485 149187555 /nfs/dbraw/zinc/18/75/55/149187555.db2.gz ZVBLLFKXKGDGRO-HZPDHXFCSA-N 2 1 320.481 2.632 20 0 DFADMP Cc1ccc(F)cc1C[N@@H+]1CC[C@@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000361901880 149251695 /nfs/dbraw/zinc/25/16/95/149251695.db2.gz WWGBQKBTUJZGEZ-LJQANCHMSA-N 2 1 319.468 2.734 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000361965040 149266018 /nfs/dbraw/zinc/26/60/18/149266018.db2.gz AVWYKUMWPCTGSD-DZGCQCFKSA-N 2 1 321.431 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCC1CCN(CC(F)(F)F)CC1 ZINC000361965042 149266670 /nfs/dbraw/zinc/26/66/70/149266670.db2.gz AVWYKUMWPCTGSD-UKRRQHHQSA-N 2 1 321.431 2.581 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350948411 286101289 /nfs/dbraw/zinc/10/12/89/286101289.db2.gz ICIBEHVDFHHFHV-AWEZNQCLSA-N 2 1 321.440 2.735 20 0 DFADMP CCOCCOc1cc(C)ccc1CN[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000362030356 149280239 /nfs/dbraw/zinc/28/02/39/149280239.db2.gz WFVKUBBGTYXQGX-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000362030356 149280242 /nfs/dbraw/zinc/28/02/42/149280242.db2.gz WFVKUBBGTYXQGX-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000362030356 149280243 /nfs/dbraw/zinc/28/02/43/149280243.db2.gz WFVKUBBGTYXQGX-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000362030356 149280247 /nfs/dbraw/zinc/28/02/47/149280247.db2.gz WFVKUBBGTYXQGX-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000362563539 149309805 /nfs/dbraw/zinc/30/98/05/149309805.db2.gz AAWGOWOADISEQY-HOTGVXAUSA-N 2 1 317.477 2.741 20 0 DFADMP C[N@H+](C[C@@H]1CC12CC[NH+](CC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000362616982 149325789 /nfs/dbraw/zinc/32/57/89/149325789.db2.gz NZEUEGHHFSLUQN-AWEZNQCLSA-N 2 1 308.466 2.524 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CC(=O)OC(C)(C)C)CC2)C1CC1 ZINC000362616982 149325792 /nfs/dbraw/zinc/32/57/92/149325792.db2.gz NZEUEGHHFSLUQN-AWEZNQCLSA-N 2 1 308.466 2.524 20 0 DFADMP Cc1cc(C)c(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c(C)c1 ZINC000350915589 286099699 /nfs/dbraw/zinc/09/96/99/286099699.db2.gz ABFQVFYBEKCMQX-UHFFFAOYSA-N 2 1 317.477 2.824 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350918019 286099723 /nfs/dbraw/zinc/09/97/23/286099723.db2.gz KWUBBHRVGCHCSA-UHFFFAOYSA-N 2 1 318.440 2.969 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC(CCc2ccccc2)CC1)C1CC1 ZINC000351339512 286121920 /nfs/dbraw/zinc/12/19/20/286121920.db2.gz NEFOUORRYSZCCY-FQEVSTJZSA-N 2 1 316.489 2.786 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(CCc2ccccc2)CC1)C1CC1 ZINC000351339512 286121921 /nfs/dbraw/zinc/12/19/21/286121921.db2.gz NEFOUORRYSZCCY-FQEVSTJZSA-N 2 1 316.489 2.786 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000351475822 286129404 /nfs/dbraw/zinc/12/94/04/286129404.db2.gz JKIQXZDGTSQEQN-OUCADQQQSA-N 2 1 314.351 2.753 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@H]12 ZINC000351482140 286131440 /nfs/dbraw/zinc/13/14/40/286131440.db2.gz ZBLNUVYASXVFID-PVXIVEMSSA-N 2 1 319.355 2.789 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@H]12 ZINC000351482140 286131444 /nfs/dbraw/zinc/13/14/44/286131444.db2.gz ZBLNUVYASXVFID-PVXIVEMSSA-N 2 1 319.355 2.789 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c1C ZINC000351492454 286134803 /nfs/dbraw/zinc/13/48/03/286134803.db2.gz LHOZRLHJRQKITR-SZMVWBNQSA-N 2 1 300.446 2.984 20 0 DFADMP C[C@H](c1cn(-c2ccccc2)nn1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000351536704 286146517 /nfs/dbraw/zinc/14/65/17/286146517.db2.gz QYYNZWDVIWIRMB-OAHLLOKOSA-N 2 1 313.449 2.602 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538083 286147033 /nfs/dbraw/zinc/14/70/33/286147033.db2.gz QUQLYGDKESMQFU-PMACEKPBSA-N 2 1 316.489 2.786 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538083 286147035 /nfs/dbraw/zinc/14/70/35/286147035.db2.gz QUQLYGDKESMQFU-PMACEKPBSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538083 286147039 /nfs/dbraw/zinc/14/70/39/286147039.db2.gz QUQLYGDKESMQFU-PMACEKPBSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@](C)(CCc2ccccc2)C1)C1CC1 ZINC000351538083 286147041 /nfs/dbraw/zinc/14/70/41/286147041.db2.gz QUQLYGDKESMQFU-PMACEKPBSA-N 2 1 316.489 2.786 20 0 DFADMP CC(C)CCC(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371093152 149988723 /nfs/dbraw/zinc/98/87/23/149988723.db2.gz IZTLKYZYSFOYDY-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@H]3CCCCCC[C@@H]32)CC1 ZINC000371208181 150003811 /nfs/dbraw/zinc/00/38/11/150003811.db2.gz HBIKFXLIKFTZQE-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP CCOC(=O)[C@@H](CC)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329286 150024456 /nfs/dbraw/zinc/02/44/56/150024456.db2.gz GSGLJCZQRIXXMJ-GOEBONIOSA-N 2 1 308.466 2.524 20 0 DFADMP Cc1noc(C)c1C[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329343 150024579 /nfs/dbraw/zinc/02/45/79/150024579.db2.gz HNMCJAONIVTMPU-OAHLLOKOSA-N 2 1 303.450 2.988 20 0 DFADMP Cc1cccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000371338219 150026849 /nfs/dbraw/zinc/02/68/49/150026849.db2.gz ZNDGRYVQQNZQJO-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP COc1ccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c(OC)c1 ZINC000371402776 150040996 /nfs/dbraw/zinc/04/09/96/150040996.db2.gz BFZVWJFQTXUKCX-NXHRZFHOSA-N 2 1 316.445 2.620 20 0 DFADMP C[C@H]1CN(Cc2ccc(F)c(F)c2)CC[N@@H+]1C1CCN(C)CC1 ZINC000371692250 150081199 /nfs/dbraw/zinc/08/11/99/150081199.db2.gz HIJFZPKWCBJRKZ-AWEZNQCLSA-N 2 1 323.431 2.565 20 0 DFADMP C[C@H]1CN(Cc2ccc(F)c(F)c2)CC[N@H+]1C1CCN(C)CC1 ZINC000371692250 150081204 /nfs/dbraw/zinc/08/12/04/150081204.db2.gz HIJFZPKWCBJRKZ-AWEZNQCLSA-N 2 1 323.431 2.565 20 0 DFADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351575687 286158272 /nfs/dbraw/zinc/15/82/72/286158272.db2.gz SXOUFKVYVZCREC-BEFAXECRSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351575687 286158274 /nfs/dbraw/zinc/15/82/74/286158274.db2.gz SXOUFKVYVZCREC-BEFAXECRSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccoc1 ZINC000371985465 150121225 /nfs/dbraw/zinc/12/12/25/150121225.db2.gz SRFXCFPMHKJNJI-QFBILLFUSA-N 2 1 313.445 2.919 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)c1ccoc1 ZINC000371985465 150121228 /nfs/dbraw/zinc/12/12/28/150121228.db2.gz SRFXCFPMHKJNJI-QFBILLFUSA-N 2 1 313.445 2.919 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCC2OCCO2)cc1F ZINC000372035263 150128623 /nfs/dbraw/zinc/12/86/23/150128623.db2.gz CJNSTCGABWAZPC-LBPRGKRZSA-N 2 1 319.380 2.733 20 0 DFADMP O=C1O[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC12CC2 ZINC000373030947 150218580 /nfs/dbraw/zinc/21/85/80/150218580.db2.gz XGZAWUOWGNHZHI-IAGOWNOFSA-N 2 1 320.477 2.670 20 0 DFADMP O=C1O[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC12CC2 ZINC000373030947 150218582 /nfs/dbraw/zinc/21/85/82/150218582.db2.gz XGZAWUOWGNHZHI-IAGOWNOFSA-N 2 1 320.477 2.670 20 0 DFADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CC[N@H+](C)[C@@H]1c1cccs1)C2 ZINC000373182836 150243021 /nfs/dbraw/zinc/24/30/21/150243021.db2.gz MCRXJVCJYDYLGO-XNRPARBSSA-N 3 1 319.518 2.956 20 0 DFADMP C[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1cccs1 ZINC000373182836 150243026 /nfs/dbraw/zinc/24/30/26/150243026.db2.gz MCRXJVCJYDYLGO-XNRPARBSSA-N 2 1 319.518 2.956 20 0 DFADMP CO[C@@H]1CC[C@H]([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000373762957 150253651 /nfs/dbraw/zinc/25/36/51/150253651.db2.gz KXIBSCNGSLKKQK-QWHCGFSZSA-N 2 1 309.479 2.567 20 0 DFADMP CC(C)(C)c1cnc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000373851130 150267192 /nfs/dbraw/zinc/26/71/92/150267192.db2.gz PDPZTYYHCRCBPL-GFCCVEGCSA-N 2 1 304.463 2.989 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@](C)(O)c3ccccc3)C2)CC1 ZINC000374073549 150303355 /nfs/dbraw/zinc/30/33/55/150303355.db2.gz BCCGWHCXLQFWSL-GOSISDBHSA-N 2 1 302.462 2.702 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000374140541 150311743 /nfs/dbraw/zinc/31/17/43/150311743.db2.gz FDNQSQSXXAPJPJ-ROUUACIJSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)C[C@H]1c1cccc(F)c1 ZINC000374140541 150311747 /nfs/dbraw/zinc/31/17/47/150311747.db2.gz FDNQSQSXXAPJPJ-ROUUACIJSA-N 2 1 317.408 2.919 20 0 DFADMP COc1cc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)ccn1 ZINC000374298728 150339910 /nfs/dbraw/zinc/33/99/10/150339910.db2.gz WHYDJEVQGLATPL-MRXNPFEDSA-N 2 1 315.461 2.787 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374431188 150366611 /nfs/dbraw/zinc/36/66/11/150366611.db2.gz WKVUNZDEUYDTTR-GBESFXJTSA-N 2 1 302.462 2.987 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000374461344 150370452 /nfs/dbraw/zinc/37/04/52/150370452.db2.gz MJOXLGTXMKQQDP-ARFHVFGLSA-N 2 1 318.465 2.688 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000351857423 286233307 /nfs/dbraw/zinc/23/33/07/286233307.db2.gz BEWOVQZKKAOYKV-GDBMZVCRSA-N 2 1 311.429 2.838 20 0 DFADMP COC(=O)[C@@H](CC(C)C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000352024826 286272748 /nfs/dbraw/zinc/27/27/48/286272748.db2.gz JFLFBLOEVIULOK-HZPDHXFCSA-N 2 1 319.449 2.712 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000352156354 286307343 /nfs/dbraw/zinc/30/73/43/286307343.db2.gz JIZGCWPWYQQXQQ-HZPDHXFCSA-N 2 1 311.514 2.780 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000352219993 286321024 /nfs/dbraw/zinc/32/10/24/286321024.db2.gz UNZNVJSNECBFTA-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)C(C)(C)CO ZINC000352342335 286348294 /nfs/dbraw/zinc/34/82/94/286348294.db2.gz RFEARMDMCDQAGP-QGZVFWFLSA-N 2 1 301.434 2.931 20 0 DFADMP CCC[C@@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000352487752 286386324 /nfs/dbraw/zinc/38/63/24/286386324.db2.gz IRUDWJVVZAYIND-QZTJIDSGSA-N 2 1 317.477 2.847 20 0 DFADMP CCC[C@@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1 ZINC000352487752 286386325 /nfs/dbraw/zinc/38/63/25/286386325.db2.gz IRUDWJVVZAYIND-QZTJIDSGSA-N 2 1 317.477 2.847 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)NCc1ccccc1Cl ZINC000352504071 286391225 /nfs/dbraw/zinc/39/12/25/286391225.db2.gz MWWGYLJNOXSCTE-HNNXBMFYSA-N 2 1 323.868 2.550 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CC2(CCO)CCCCC2)s1 ZINC000352750398 286457698 /nfs/dbraw/zinc/45/76/98/286457698.db2.gz QOAUIDMUOJCQRS-UHFFFAOYSA-N 2 1 311.495 2.627 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000353275398 286598656 /nfs/dbraw/zinc/59/86/56/286598656.db2.gz KCSOTAXWFLGGBH-ZDUSSCGKSA-N 2 1 304.425 2.901 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCCCC2 ZINC000181751782 157996612 /nfs/dbraw/zinc/99/66/12/157996612.db2.gz GCNSPHFGJNGGPH-DLBZAZTESA-N 2 1 324.509 2.815 20 0 DFADMP CCN(CC)C(=O)CCC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000182552142 158005174 /nfs/dbraw/zinc/00/51/74/158005174.db2.gz XJYIXPKEFRLFJQ-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1ccncc1 ZINC000246276252 158084678 /nfs/dbraw/zinc/08/46/78/158084678.db2.gz BCQMAWOLGGFCJC-BMGDILEWSA-N 2 1 303.450 2.500 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CCC[C@@H]([NH+](C)C)C3)c(C)n2n1 ZINC000246462816 158092674 /nfs/dbraw/zinc/09/26/74/158092674.db2.gz PWXUKXOOAGUMFJ-NUEKZKHPSA-N 2 1 315.465 2.870 20 0 DFADMP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCC[C@@H](C)C1 ZINC000246816152 158100798 /nfs/dbraw/zinc/10/07/98/158100798.db2.gz IYHIOMJFVVDPIR-HZPDHXFCSA-N 2 1 317.477 2.598 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H](C)C1 ZINC000247068771 158118219 /nfs/dbraw/zinc/11/82/19/158118219.db2.gz QAJDRPQYVZXXAB-WMLDXEAASA-N 2 1 303.450 2.690 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H](C)C1 ZINC000247068771 158118221 /nfs/dbraw/zinc/11/82/21/158118221.db2.gz QAJDRPQYVZXXAB-WMLDXEAASA-N 2 1 303.450 2.690 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cnn(-c3ccccc3)c2)[C@@H](C)C1 ZINC000247186964 158122409 /nfs/dbraw/zinc/12/24/09/158122409.db2.gz VOVHQKGUSZNGMC-LPHOPBHVSA-N 2 1 312.461 2.735 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCN(C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000247253658 158125058 /nfs/dbraw/zinc/12/50/58/158125058.db2.gz YMSTYUPICRGILS-MAUKXSAKSA-N 2 1 307.457 2.577 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)ccc1OC ZINC000247953220 158153199 /nfs/dbraw/zinc/15/31/99/158153199.db2.gz FGICBCFJOOMQPK-IIAWOOMASA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)ccc1OC ZINC000247953220 158153201 /nfs/dbraw/zinc/15/32/01/158153201.db2.gz FGICBCFJOOMQPK-IIAWOOMASA-N 2 1 306.450 2.912 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000248029125 158156796 /nfs/dbraw/zinc/15/67/96/158156796.db2.gz PZTIVRKURBICNY-HOCLYGCPSA-N 2 1 300.450 2.807 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2cc(F)ccc21 ZINC000248131932 158161241 /nfs/dbraw/zinc/16/12/41/158161241.db2.gz ONYOSNGXVWHGEF-FUHWJXTLSA-N 2 1 306.425 2.640 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248201708 158165121 /nfs/dbraw/zinc/16/51/21/158165121.db2.gz YXSDLPXEHBWKLD-RDJZCZTQSA-N 2 1 306.450 2.583 20 0 DFADMP CCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248216280 158165816 /nfs/dbraw/zinc/16/58/16/158165816.db2.gz ZRKBXYJUPBXIRR-MAUKXSAKSA-N 2 1 317.477 2.662 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248417947 158173544 /nfs/dbraw/zinc/17/35/44/158173544.db2.gz RTVHIXHQPCSCDJ-HCXYKTFWSA-N 2 1 302.462 2.648 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000248418025 158174651 /nfs/dbraw/zinc/17/46/51/158174651.db2.gz SAEUNOXVGQXAMS-WTGUMLROSA-N 2 1 314.473 2.912 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248583121 158185940 /nfs/dbraw/zinc/18/59/40/158185940.db2.gz WOBKMHWOVIVDIS-CENDIDJXSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@H](C1CCC1)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000355067701 158265443 /nfs/dbraw/zinc/26/54/43/158265443.db2.gz YBHHTWDDCLYDAF-CRAIPNDOSA-N 2 1 317.477 2.526 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000356846027 158314384 /nfs/dbraw/zinc/31/43/84/158314384.db2.gz IZQACEMONWMCQD-MLHJIOFPSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]1CCC[N@H+](CCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356891700 158319071 /nfs/dbraw/zinc/31/90/71/158319071.db2.gz HCYOFIADCCDFLF-CQSZACIVSA-N 2 1 321.431 2.725 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356891700 158319074 /nfs/dbraw/zinc/31/90/74/158319074.db2.gz HCYOFIADCCDFLF-CQSZACIVSA-N 2 1 321.431 2.725 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000356903799 158320287 /nfs/dbraw/zinc/32/02/87/158320287.db2.gz SONKGLHPQQFVMW-FRYIKTPZSA-N 2 1 316.489 2.895 20 0 DFADMP Cc1cnc([C@@H](C)[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000356970685 158335611 /nfs/dbraw/zinc/33/56/11/158335611.db2.gz AMQYAGQCFVXCKV-OWCLPIDISA-N 2 1 321.465 2.865 20 0 DFADMP Cc1cnc([C@@H](C)[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000356970685 158335612 /nfs/dbraw/zinc/33/56/12/158335612.db2.gz AMQYAGQCFVXCKV-OWCLPIDISA-N 2 1 321.465 2.865 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1(O)CCCC1 ZINC000357008363 158346086 /nfs/dbraw/zinc/34/60/86/158346086.db2.gz FUUNZJUBSPAWOW-UHFFFAOYSA-N 2 1 317.477 2.925 20 0 DFADMP FC(F)(F)COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357039874 158354783 /nfs/dbraw/zinc/35/47/83/158354783.db2.gz BAHLFVTXPHUSQH-UONOGXRCSA-N 2 1 314.351 2.669 20 0 DFADMP FC(F)(F)COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357039874 158354784 /nfs/dbraw/zinc/35/47/84/158354784.db2.gz BAHLFVTXPHUSQH-UONOGXRCSA-N 2 1 314.351 2.669 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000357054371 158356843 /nfs/dbraw/zinc/35/68/43/158356843.db2.gz QTIWDBWOHSPYLF-GOSISDBHSA-N 2 1 319.493 2.867 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000357059248 158358294 /nfs/dbraw/zinc/35/82/94/158358294.db2.gz WRLNQFXTMMQHNL-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1OCC ZINC000357059248 158358296 /nfs/dbraw/zinc/35/82/96/158358296.db2.gz WRLNQFXTMMQHNL-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCn2cccn2)CC1)CC1CC1 ZINC000357086691 158362481 /nfs/dbraw/zinc/36/24/81/158362481.db2.gz PGUGLZYWEIJDJZ-UHFFFAOYSA-N 2 1 304.482 2.717 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358343433 158370755 /nfs/dbraw/zinc/37/07/55/158370755.db2.gz HVPFQBWEKOSUAF-CRAIPNDOSA-N 2 1 306.450 2.532 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358509554 158384228 /nfs/dbraw/zinc/38/42/28/158384228.db2.gz QGHUVGBOSULLOM-GFCCVEGCSA-N 2 1 318.446 2.935 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000129016512 196012286 /nfs/dbraw/zinc/01/22/86/196012286.db2.gz UPTUBLZILRVHAD-ATNYBXOESA-N 2 1 306.450 2.781 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129424160 196048077 /nfs/dbraw/zinc/04/80/77/196048077.db2.gz WUEOXTLZICTLSJ-MDZRGWNJSA-N 2 1 312.461 2.750 20 0 DFADMP COc1cccc(OCC[N@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000129593041 196060688 /nfs/dbraw/zinc/06/06/88/196060688.db2.gz WSIWOOWBZWUVPJ-YJBOKZPZSA-N 2 1 315.417 2.854 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CCn2ccnc2)CC1 ZINC000131735338 196195259 /nfs/dbraw/zinc/19/52/59/196195259.db2.gz HVQZDHCHKVDBNC-QGZVFWFLSA-N 2 1 304.482 2.860 20 0 DFADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC000131777159 196198583 /nfs/dbraw/zinc/19/85/83/196198583.db2.gz UTFGQTFWFPFEEZ-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)o1 ZINC000132579561 196267337 /nfs/dbraw/zinc/26/73/37/196267337.db2.gz RRWQKSQWYJXJBJ-DOTOQJQBSA-N 2 1 307.482 2.765 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301118 /nfs/dbraw/zinc/30/11/18/196301118.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301119 /nfs/dbraw/zinc/30/11/19/196301119.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301121 /nfs/dbraw/zinc/30/11/21/196301121.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301123 /nfs/dbraw/zinc/30/11/23/196301123.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@H](C)C1 ZINC000132977252 196301124 /nfs/dbraw/zinc/30/11/24/196301124.db2.gz NZHWDEOMENFHDE-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP COc1ccccc1N1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000133261135 196325560 /nfs/dbraw/zinc/32/55/60/196325560.db2.gz RDXPZZADBCRWDS-IXDOHACOSA-N 2 1 317.477 2.594 20 0 DFADMP C[C@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)Cc1ccccc1 ZINC000133898981 196344215 /nfs/dbraw/zinc/34/42/15/196344215.db2.gz NRJJWKDKKQNUDC-SFHVURJKSA-N 2 1 317.521 2.728 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000667518002 543621679 /nfs/dbraw/zinc/62/16/79/543621679.db2.gz LWXZJHYJDBRGPA-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667561237 543631025 /nfs/dbraw/zinc/63/10/25/543631025.db2.gz PRVFFXBSNCBFRL-IAGOWNOFSA-N 2 1 316.493 2.916 20 0 DFADMP [NH3+]Cc1cccc(NC(=O)N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000667732583 543669331 /nfs/dbraw/zinc/66/93/31/543669331.db2.gz OCOBLTQXCWCOSE-GOSISDBHSA-N 2 1 324.428 2.541 20 0 DFADMP CN(Cc1cc(F)ccc1OC(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000668020492 543724965 /nfs/dbraw/zinc/72/49/65/543724965.db2.gz MWKTTYFVPIWPNK-NSHDSACASA-N 2 1 302.340 2.811 20 0 DFADMP C[C@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145812 543749184 /nfs/dbraw/zinc/74/91/84/543749184.db2.gz TYJDDKRYKXHTLA-DOTOQJQBSA-N 2 1 314.433 2.783 20 0 DFADMP C[C@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145812 543749187 /nfs/dbraw/zinc/74/91/87/543749187.db2.gz TYJDDKRYKXHTLA-DOTOQJQBSA-N 2 1 314.433 2.783 20 0 DFADMP CCOC1CC2(C1)CC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668147697 543749835 /nfs/dbraw/zinc/74/98/35/543749835.db2.gz REPJQNKSLCSFPU-UHFFFAOYSA-N 2 1 312.417 2.658 20 0 DFADMP CCOC1CC2(C1)CC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000668147697 543749837 /nfs/dbraw/zinc/74/98/37/543749837.db2.gz REPJQNKSLCSFPU-UHFFFAOYSA-N 2 1 312.417 2.658 20 0 DFADMP Cn1ncc(C2CCC2)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000668169063 543757840 /nfs/dbraw/zinc/75/78/40/543757840.db2.gz HVBCMARKCLKWDZ-QGZVFWFLSA-N 2 1 316.493 2.851 20 0 DFADMP c1cc(C[N@H+]2CC3(CCOCC3)[C@H]2C2CC2)n(-c2cc[nH+]cc2)n1 ZINC000668195478 543764760 /nfs/dbraw/zinc/76/47/60/543764760.db2.gz KHOFPOCLEVBOGM-GOSISDBHSA-N 2 1 324.428 2.658 20 0 DFADMP CO[C@@H]1C[C@@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000668225024 543771522 /nfs/dbraw/zinc/77/15/22/543771522.db2.gz CFZRGSCTYUZRLS-IAGOWNOFSA-N 2 1 312.417 2.657 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000295932669 225392509 /nfs/dbraw/zinc/39/25/09/225392509.db2.gz KYETUXIMWLQLPP-MIGBEJBISA-N 2 1 318.461 2.988 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@](C)(C3CC3)C2)cc1 ZINC000668462439 543810278 /nfs/dbraw/zinc/81/02/78/543810278.db2.gz GEFWFJQUKSZIPG-IBGZPJMESA-N 2 1 318.461 2.628 20 0 DFADMP C[C@H](CC[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740597 543859253 /nfs/dbraw/zinc/85/92/53/543859253.db2.gz WCMXOOCIMLYKHE-VQIMIIECSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc3c2CCC3)CCO1 ZINC000668787261 543867351 /nfs/dbraw/zinc/86/73/51/543867351.db2.gz QLAJOAKNSNGBBQ-GOSISDBHSA-N 2 1 302.462 2.718 20 0 DFADMP COc1c(C)cc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000668785919 543867939 /nfs/dbraw/zinc/86/79/39/543867939.db2.gz QVSYHBDBUGBWLH-SFHVURJKSA-N 2 1 320.477 2.855 20 0 DFADMP COc1c(C)cc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000668785919 543867941 /nfs/dbraw/zinc/86/79/41/543867941.db2.gz QVSYHBDBUGBWLH-SFHVURJKSA-N 2 1 320.477 2.855 20 0 DFADMP Cc1ncc(C[N@@H+]2CCCc3n[nH]cc3C2)n1-c1ccccc1 ZINC000668840929 543877580 /nfs/dbraw/zinc/87/75/80/543877580.db2.gz KONFJWIRPUIQOW-UHFFFAOYSA-N 2 1 307.401 2.852 20 0 DFADMP Cc1ncc(C[N@H+]2CCCc3n[nH]cc3C2)n1-c1ccccc1 ZINC000668840929 543877581 /nfs/dbraw/zinc/87/75/81/543877581.db2.gz KONFJWIRPUIQOW-UHFFFAOYSA-N 2 1 307.401 2.852 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3c2cc(F)cc3F)CC1(C)C ZINC000669618826 543976347 /nfs/dbraw/zinc/97/63/47/543976347.db2.gz BHFCBGOJBFZTHL-QGZVFWFLSA-N 2 1 323.431 2.568 20 0 DFADMP Cc1cc(NC(=O)N2CCC[C@@H](c3ncc[nH]3)C2)cn2cc[nH+]c12 ZINC000296710945 226148251 /nfs/dbraw/zinc/14/82/51/226148251.db2.gz AXFDNORDINHFIB-CYBMUJFWSA-N 2 1 324.388 2.777 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1COCc2ccccc21 ZINC000669573696 543967712 /nfs/dbraw/zinc/96/77/12/543967712.db2.gz JFKBATXSQBGSFC-IBGZPJMESA-N 2 1 320.396 2.937 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(-c2cnn(C)c2)c1 ZINC000669992861 544014099 /nfs/dbraw/zinc/01/40/99/544014099.db2.gz OBGNHDZTURRARJ-QGZVFWFLSA-N 2 1 321.428 2.697 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CC[C@]3(C2)CCCOC3)cc1 ZINC000671312879 544067225 /nfs/dbraw/zinc/06/72/25/544067225.db2.gz XZJFHMYJNLLKAW-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP Cc1cccn2cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)nc12 ZINC000671749732 544106336 /nfs/dbraw/zinc/10/63/36/544106336.db2.gz MLBFNGALCRPXSN-KZNAEPCWSA-N 2 1 312.461 2.648 20 0 DFADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000671745715 544105744 /nfs/dbraw/zinc/10/57/44/544105744.db2.gz RUZCHVQOFBCMIF-DJIMGWMZSA-N 2 1 303.450 2.669 20 0 DFADMP C[NH+](C)[C@@H]1CCCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000297364879 227070704 /nfs/dbraw/zinc/07/07/04/227070704.db2.gz GBLCUMWIIFHJSO-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716205 544193510 /nfs/dbraw/zinc/19/35/10/544193510.db2.gz SCNQIQBNJGUHES-QFBILLFUSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716205 544193511 /nfs/dbraw/zinc/19/35/11/544193511.db2.gz SCNQIQBNJGUHES-QFBILLFUSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCc2ccc(OC)cc2)[C@@H](C)C1 ZINC000673716205 544193514 /nfs/dbraw/zinc/19/35/14/544193514.db2.gz SCNQIQBNJGUHES-QFBILLFUSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(N(C)C)c2)C1 ZINC000673757102 544196408 /nfs/dbraw/zinc/19/64/08/544196408.db2.gz MISYAAXSDOECJT-IBGZPJMESA-N 2 1 319.493 2.685 20 0 DFADMP c1[nH]c2nccnc2c1C[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000290896941 222004078 /nfs/dbraw/zinc/00/40/78/222004078.db2.gz NNZHHSGQCJYBDQ-UHFFFAOYSA-N 2 1 313.449 2.845 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2c(O)cccc21 ZINC000291226198 222239279 /nfs/dbraw/zinc/23/92/79/222239279.db2.gz NVFLBYODCJMKMV-YJBOKZPZSA-N 2 1 318.461 2.596 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259347 222264474 /nfs/dbraw/zinc/26/44/74/222264474.db2.gz WTZXQRDOOPXXGV-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259347 222264476 /nfs/dbraw/zinc/26/44/76/222264476.db2.gz WTZXQRDOOPXXGV-WFASDCNBSA-N 2 1 316.367 2.622 20 0 DFADMP Cn1cncc1C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291403985 222369986 /nfs/dbraw/zinc/36/99/86/222369986.db2.gz FJVYRAGXHHSYRG-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674087753 544219101 /nfs/dbraw/zinc/21/91/01/544219101.db2.gz AIUKIBXDWMCJSM-WMZOPIPTSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1)[NH+](C)C ZINC000674245447 544226286 /nfs/dbraw/zinc/22/62/86/544226286.db2.gz MUIFOMVZROCKSC-CABCVRRESA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCN2CCCc3ccccc32)[C@H](C)C1 ZINC000675783279 544336036 /nfs/dbraw/zinc/33/60/36/544336036.db2.gz FPQXJAIKCJIYSW-SJLPKXTDSA-N 2 1 301.478 2.759 20 0 DFADMP CC[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+]1CCCC1 ZINC000675744025 544333366 /nfs/dbraw/zinc/33/33/66/544333366.db2.gz YDIOOOJTCFNWHG-IBGZPJMESA-N 2 1 316.493 2.510 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3c[nH]nc32)cc1 ZINC000675766404 544334368 /nfs/dbraw/zinc/33/43/68/544334368.db2.gz KRKSMCXUWHEZAO-QGZVFWFLSA-N 2 1 314.433 2.517 20 0 DFADMP CC[C@H](Cc1cccs1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000675821686 544338990 /nfs/dbraw/zinc/33/89/90/544338990.db2.gz LOPANYMUHPKYID-MRXNPFEDSA-N 2 1 309.523 2.686 20 0 DFADMP C[C@H](Cc1ccsc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675880101 544341286 /nfs/dbraw/zinc/34/12/86/544341286.db2.gz BFFGROAKPPHOMI-RHSMWYFYSA-N 2 1 308.491 2.912 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000675882574 544341454 /nfs/dbraw/zinc/34/14/54/544341454.db2.gz SAWOGESHMMNKDT-HNAYVOBHSA-N 2 1 318.461 2.989 20 0 DFADMP Cc1ccc(C)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000442879571 297209194 /nfs/dbraw/zinc/20/91/94/297209194.db2.gz WVLHDXKROQHVMJ-KRWDZBQOSA-N 2 1 303.494 2.980 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000676222403 544364533 /nfs/dbraw/zinc/36/45/33/544364533.db2.gz MSOGLSIAJLPTEM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000676222403 544364535 /nfs/dbraw/zinc/36/45/35/544364535.db2.gz MSOGLSIAJLPTEM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000676222403 544364537 /nfs/dbraw/zinc/36/45/37/544364537.db2.gz MSOGLSIAJLPTEM-SJLPKXTDSA-N 2 1 301.434 2.561 20 0 DFADMP c1cnn(C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000677241654 544456567 /nfs/dbraw/zinc/45/65/67/544456567.db2.gz RTFNCDBBIZRCLL-FHWLQOOXSA-N 2 1 310.445 2.841 20 0 DFADMP c1cnn(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc2)c1 ZINC000677241654 544456571 /nfs/dbraw/zinc/45/65/71/544456571.db2.gz RTFNCDBBIZRCLL-FHWLQOOXSA-N 2 1 310.445 2.841 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677241552 544456593 /nfs/dbraw/zinc/45/65/93/544456593.db2.gz QLWFIOAXDOAKSW-KEYYUXOJSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677241552 544456596 /nfs/dbraw/zinc/45/65/96/544456596.db2.gz QLWFIOAXDOAKSW-KEYYUXOJSA-N 2 1 302.418 2.735 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000677236529 544457334 /nfs/dbraw/zinc/45/73/34/544457334.db2.gz DWHICMIZFNPSQT-RDJZCZTQSA-N 2 1 301.434 2.752 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000677236529 544457337 /nfs/dbraw/zinc/45/73/37/544457337.db2.gz DWHICMIZFNPSQT-RDJZCZTQSA-N 2 1 301.434 2.752 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000677242385 544458053 /nfs/dbraw/zinc/45/80/53/544458053.db2.gz ZMNZEIIKKAAOJE-JKSUJKDBSA-N 2 1 304.434 2.681 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000442917040 297211112 /nfs/dbraw/zinc/21/11/12/297211112.db2.gz BPCCCRJKBDRCCU-CYBMUJFWSA-N 2 1 302.447 2.766 20 0 DFADMP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cc(OC)cc(C)[nH+]1 ZINC000677441369 544489437 /nfs/dbraw/zinc/48/94/37/544489437.db2.gz POOLUQNZBAOXTM-IRXDYDNUSA-N 2 1 303.450 2.847 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cc(OC)cc(C)[nH+]1 ZINC000677441369 544489440 /nfs/dbraw/zinc/48/94/40/544489440.db2.gz POOLUQNZBAOXTM-IRXDYDNUSA-N 2 1 303.450 2.847 20 0 DFADMP CC1(C)C[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CN1Cc1ccccc1 ZINC000677749948 544537570 /nfs/dbraw/zinc/53/75/70/544537570.db2.gz WKWOHTCHHDRUJM-MSOLQXFVSA-N 2 1 324.472 2.841 20 0 DFADMP C[C@@H](CC[NH+](C)C)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804315 544543907 /nfs/dbraw/zinc/54/39/07/544543907.db2.gz FBHQKDFGUGHOAP-WMZOPIPTSA-N 2 1 303.494 2.969 20 0 DFADMP CCC[C@@H](C(=O)NCc1ccccc1-n1cc[nH+]c1C)[NH+](C)C ZINC000677871221 544554090 /nfs/dbraw/zinc/55/40/90/544554090.db2.gz JVMWPCFNGBMNKV-KRWDZBQOSA-N 2 1 314.433 2.527 20 0 DFADMP CCN1C[C@H](C[N@H+](C)CC[C@@H]2CCC[NH+]2C)Oc2ccccc21 ZINC000678073648 544594248 /nfs/dbraw/zinc/59/42/48/544594248.db2.gz DZQBHUHPLIYTHK-IRXDYDNUSA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)Oc2ccccc21 ZINC000678073648 544594255 /nfs/dbraw/zinc/59/42/55/544594255.db2.gz DZQBHUHPLIYTHK-IRXDYDNUSA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@H](C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)Oc2ccccc21 ZINC000678073648 544594258 /nfs/dbraw/zinc/59/42/58/544594258.db2.gz DZQBHUHPLIYTHK-IRXDYDNUSA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@H](C[NH+](C)CC[C@@H]2CCC[N@H+]2C)Oc2ccccc21 ZINC000678073648 544594261 /nfs/dbraw/zinc/59/42/61/544594261.db2.gz DZQBHUHPLIYTHK-IRXDYDNUSA-N 2 1 317.477 2.690 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000678072982 544594713 /nfs/dbraw/zinc/59/47/13/544594713.db2.gz HFHUKJQLIOKHSE-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259011 544635154 /nfs/dbraw/zinc/63/51/54/544635154.db2.gz VRCNWWVKPMDVIC-QZTJIDSGSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccccc3C3CC3)CC2)C1 ZINC000678258862 544635456 /nfs/dbraw/zinc/63/54/56/544635456.db2.gz PWXNAKORXWJBJF-IBGZPJMESA-N 2 1 313.489 2.776 20 0 DFADMP Fc1cccc(F)c1-c1ccc(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000678343397 544655849 /nfs/dbraw/zinc/65/58/49/544655849.db2.gz SXHDMDQEHFIIMS-RYUDHWBXSA-N 2 1 304.340 2.876 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(-n2cccn2)cc1 ZINC000679024946 544769679 /nfs/dbraw/zinc/76/96/79/544769679.db2.gz GLAFZXXVSHSFDJ-HOCLYGCPSA-N 2 1 307.401 2.734 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000679039065 544773372 /nfs/dbraw/zinc/77/33/72/544773372.db2.gz XFYYWZUFTCZUBU-ROUUACIJSA-N 2 1 306.425 2.508 20 0 DFADMP O=C(CC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccc(F)cc1 ZINC000679132766 544788945 /nfs/dbraw/zinc/78/89/45/544788945.db2.gz YOVOHXSZQBSZOQ-UHFFFAOYSA-N 2 1 313.376 2.616 20 0 DFADMP Cc1ccc(N[C@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000679148939 544792624 /nfs/dbraw/zinc/79/26/24/544792624.db2.gz WGFGIRUZRNKDSP-HOTGVXAUSA-N 2 1 305.466 2.830 20 0 DFADMP C[C@@H](CCCCO)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000679336520 544836691 /nfs/dbraw/zinc/83/66/91/544836691.db2.gz WYOMEOIIPGORKI-IRXDYDNUSA-N 2 1 320.477 2.548 20 0 DFADMP C[C@@H](CCCCO)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000679336520 544836694 /nfs/dbraw/zinc/83/66/94/544836694.db2.gz WYOMEOIIPGORKI-IRXDYDNUSA-N 2 1 320.477 2.548 20 0 DFADMP O=C(CCC[NH+]1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000679436304 544853060 /nfs/dbraw/zinc/85/30/60/544853060.db2.gz ZJDSCNUXYHWLII-UHFFFAOYSA-N 2 1 309.413 2.867 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@](C)(CNC(=O)OC(C)(C)C)C(C)C ZINC000494044194 299854816 /nfs/dbraw/zinc/85/48/16/299854816.db2.gz NJJQEMXHNGWARY-QGZVFWFLSA-N 2 1 324.469 2.721 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000068722541 425919229 /nfs/dbraw/zinc/91/92/29/425919229.db2.gz JOQQDWTVBACDNW-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000068722541 425919230 /nfs/dbraw/zinc/91/92/30/425919230.db2.gz JOQQDWTVBACDNW-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CC(C)[N@H+](C)CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155751562 425926632 /nfs/dbraw/zinc/92/66/32/425926632.db2.gz KOWGBHYYZDUFTJ-INIZCTEOSA-N 2 1 307.482 2.618 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000155751562 425926636 /nfs/dbraw/zinc/92/66/36/425926636.db2.gz KOWGBHYYZDUFTJ-INIZCTEOSA-N 2 1 307.482 2.618 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC2OCCO2)CC[N@@H+]1Cc1ccccc1 ZINC000124584456 425928016 /nfs/dbraw/zinc/92/80/16/425928016.db2.gz ZEQQVPHPWOQRMJ-FUHWJXTLSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCC2OCCO2)CC[N@H+]1Cc1ccccc1 ZINC000124584456 425928019 /nfs/dbraw/zinc/92/80/19/425928019.db2.gz ZEQQVPHPWOQRMJ-FUHWJXTLSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCC2OCCO2)CC[NH+]1Cc1ccccc1 ZINC000124584456 425928022 /nfs/dbraw/zinc/92/80/22/425928022.db2.gz ZEQQVPHPWOQRMJ-FUHWJXTLSA-N 2 1 318.461 2.734 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCC2OCCO2)CC[NH+]1Cc1ccccc1 ZINC000124584456 425928024 /nfs/dbraw/zinc/92/80/24/425928024.db2.gz ZEQQVPHPWOQRMJ-FUHWJXTLSA-N 2 1 318.461 2.734 20 0 DFADMP CCCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124613657 425928539 /nfs/dbraw/zinc/92/85/39/425928539.db2.gz IIEUBUBSLODNKV-ROUUACIJSA-N 2 1 323.525 2.972 20 0 DFADMP Cc1ccc(CC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000124610526 425929147 /nfs/dbraw/zinc/92/91/47/425929147.db2.gz YPCFVVYLKLQLCW-KRWDZBQOSA-N 2 1 304.478 2.562 20 0 DFADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000156196060 425933147 /nfs/dbraw/zinc/93/31/47/425933147.db2.gz JCHQXSFIESPDGQ-ZHALLVOQSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CCN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000156196060 425933151 /nfs/dbraw/zinc/93/31/51/425933151.db2.gz JCHQXSFIESPDGQ-ZHALLVOQSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CCN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000156196060 425933152 /nfs/dbraw/zinc/93/31/52/425933152.db2.gz JCHQXSFIESPDGQ-ZHALLVOQSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)c1c[nH+]ccc1N(C)C ZINC000183854309 267759956 /nfs/dbraw/zinc/75/99/56/267759956.db2.gz XMABWLZCCCSYAH-UHFFFAOYSA-N 2 1 312.417 2.770 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187965003 267885106 /nfs/dbraw/zinc/88/51/06/267885106.db2.gz QGAFJLNBFVYKIF-INIZCTEOSA-N 2 1 302.397 2.570 20 0 DFADMP C[N@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC[NH2+]CC1 ZINC000036301157 425845531 /nfs/dbraw/zinc/84/55/31/425845531.db2.gz BQDVMEQPIAYURQ-UHFFFAOYSA-N 2 1 310.825 2.685 20 0 DFADMP C[N@@H+](Cc1cc(Cl)c2c(c1)OCCCO2)C1CC[NH2+]CC1 ZINC000036301157 425845532 /nfs/dbraw/zinc/84/55/32/425845532.db2.gz BQDVMEQPIAYURQ-UHFFFAOYSA-N 2 1 310.825 2.685 20 0 DFADMP COC(=O)C1CCC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000192447614 268036646 /nfs/dbraw/zinc/03/66/46/268036646.db2.gz HOAWIOJSNXMQNK-SOEBMCCKSA-N 2 1 322.493 2.961 20 0 DFADMP COc1ncccc1C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000193549539 268072398 /nfs/dbraw/zinc/07/23/98/268072398.db2.gz IHOLUZJTPRRFIH-ZBFHGGJFSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ncccc1C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000193549539 268072401 /nfs/dbraw/zinc/07/24/01/268072401.db2.gz IHOLUZJTPRRFIH-ZBFHGGJFSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136876 268127806 /nfs/dbraw/zinc/12/78/06/268127806.db2.gz MAQAEAMHKDQRFM-CRAIPNDOSA-N 2 1 312.461 2.901 20 0 DFADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccc(Br)s1 ZINC000258878347 268168526 /nfs/dbraw/zinc/16/85/26/268168526.db2.gz BIEYCJJBIMTAQI-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123769 268168246 /nfs/dbraw/zinc/16/82/46/268168246.db2.gz VXMSVTMMXLLFKO-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123769 268168247 /nfs/dbraw/zinc/16/82/47/268168247.db2.gz VXMSVTMMXLLFKO-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@H]1O ZINC000250123769 268168248 /nfs/dbraw/zinc/16/82/48/268168248.db2.gz VXMSVTMMXLLFKO-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP CCOc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000266639655 268177797 /nfs/dbraw/zinc/17/77/97/268177797.db2.gz AEMIQFKABFLJRP-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000266639655 268177798 /nfs/dbraw/zinc/17/77/98/268177798.db2.gz AEMIQFKABFLJRP-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000266639655 268177800 /nfs/dbraw/zinc/17/78/00/268177800.db2.gz AEMIQFKABFLJRP-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000266639655 268177801 /nfs/dbraw/zinc/17/78/01/268177801.db2.gz AEMIQFKABFLJRP-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP COc1cccc(N2CC[C@H]([NH2+][C@@H]3C[C@@H](C)[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000268867556 268186456 /nfs/dbraw/zinc/18/64/56/268186456.db2.gz TUYLKPJCRZLQJU-CYJAXWMASA-N 2 1 317.477 2.592 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000269005359 268187696 /nfs/dbraw/zinc/18/76/96/268187696.db2.gz QHISOQYXATWSED-DWRORGKVSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000269005359 268187697 /nfs/dbraw/zinc/18/76/97/268187697.db2.gz QHISOQYXATWSED-DWRORGKVSA-N 2 1 304.478 2.894 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@@H](OCc2ccccc2)C1(C)C ZINC000276627720 268262466 /nfs/dbraw/zinc/26/24/66/268262466.db2.gz IYTJXMWISFUVTQ-ZWKOTPCHSA-N 2 1 313.445 2.936 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000289543130 268280578 /nfs/dbraw/zinc/28/05/78/268280578.db2.gz CRBAFHWESZFZLO-JZXOWHBKSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000289543130 268280580 /nfs/dbraw/zinc/28/05/80/268280580.db2.gz CRBAFHWESZFZLO-JZXOWHBKSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000289543130 268280581 /nfs/dbraw/zinc/28/05/81/268280581.db2.gz CRBAFHWESZFZLO-JZXOWHBKSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289543130 268280583 /nfs/dbraw/zinc/28/05/83/268280583.db2.gz CRBAFHWESZFZLO-JZXOWHBKSA-N 2 1 302.462 2.628 20 0 DFADMP C[C@@H](COc1ccc(F)cc1F)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298564688 268315348 /nfs/dbraw/zinc/31/53/48/268315348.db2.gz WKLMUCIREYXEIG-LBPRGKRZSA-N 2 1 310.388 2.949 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000309976208 268336604 /nfs/dbraw/zinc/33/66/04/268336604.db2.gz RGTPIFVWAXCUBD-GJZGRUSLSA-N 2 1 313.486 2.611 20 0 DFADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000313123470 268338839 /nfs/dbraw/zinc/33/88/39/268338839.db2.gz STKYGTLNMPQHDT-MANSERQUSA-N 2 1 314.473 2.912 20 0 DFADMP CC1(C)COC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000313123467 268339271 /nfs/dbraw/zinc/33/92/71/268339271.db2.gz STKYGTLNMPQHDT-HCXYKTFWSA-N 2 1 314.473 2.912 20 0 DFADMP CCOC(=O)[C@@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000319825379 268346652 /nfs/dbraw/zinc/34/66/52/268346652.db2.gz DXKBGILGCKOWCT-QGZVFWFLSA-N 2 1 304.434 2.564 20 0 DFADMP Cc1noc(C2CCC([NH2+]CC[N@@H+]3CCCC3(C)C)CC2)n1 ZINC000333046720 268371278 /nfs/dbraw/zinc/37/12/78/268371278.db2.gz BIYBQEUVENYDRB-UHFFFAOYSA-N 2 1 306.454 2.868 20 0 DFADMP Cc1noc(C2CCC([NH2+]CC[N@H+]3CCCC3(C)C)CC2)n1 ZINC000333046720 268371279 /nfs/dbraw/zinc/37/12/79/268371279.db2.gz BIYBQEUVENYDRB-UHFFFAOYSA-N 2 1 306.454 2.868 20 0 DFADMP Cc1nn2c(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)c(C(C)C)nc2s1 ZINC000333107298 268375093 /nfs/dbraw/zinc/37/50/93/268375093.db2.gz FVWXJLWTFIJSNU-CYBMUJFWSA-N 2 1 321.494 2.700 20 0 DFADMP C[C@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333289185 268389243 /nfs/dbraw/zinc/38/92/43/268389243.db2.gz OCPZGHSJOLVRFI-VSPZMHAVSA-N 2 1 313.445 2.549 20 0 DFADMP Cc1nccn1CCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000124838393 425941152 /nfs/dbraw/zinc/94/11/52/425941152.db2.gz ZAXJXOVRTKRYNG-MSOLQXFVSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000124838393 425941155 /nfs/dbraw/zinc/94/11/55/425941155.db2.gz ZAXJXOVRTKRYNG-MSOLQXFVSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C ZINC000124838393 425941157 /nfs/dbraw/zinc/94/11/57/425941157.db2.gz ZAXJXOVRTKRYNG-MSOLQXFVSA-N 3 1 304.482 2.919 20 0 DFADMP CCCCN(CCCC)C(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158525177 425943789 /nfs/dbraw/zinc/94/37/89/425943789.db2.gz DNMUHMIAJRQLHX-MSOLQXFVSA-N 2 1 323.525 2.831 20 0 DFADMP CCCCNC(=O)[C@@H]1CC[C@@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125005803 425949318 /nfs/dbraw/zinc/94/93/18/425949318.db2.gz UGLVYIRWNYVDOH-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1cccc2c1CC[C@@H]2[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158876946 425950454 /nfs/dbraw/zinc/95/04/54/425950454.db2.gz ZZXWKXXDALYVQT-LPHOPBHVSA-N 2 1 302.462 2.665 20 0 DFADMP Cc1cccc(C[NH+]2CCC([NH2+][C@H](C)[C@@H]3CCOC3)CC2)c1 ZINC000159327387 425957239 /nfs/dbraw/zinc/95/72/39/425957239.db2.gz VYPVOVCDIZKXBY-SJLPKXTDSA-N 2 1 302.462 2.974 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000070170726 425968654 /nfs/dbraw/zinc/96/86/54/425968654.db2.gz FLTGGHZDDHXBCS-CYBMUJFWSA-N 2 1 309.841 2.648 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCN(Cc2ccccc2Cl)CC1 ZINC000125559879 425979052 /nfs/dbraw/zinc/97/90/52/425979052.db2.gz OVUZDRCWQZEYHF-QGZVFWFLSA-N 2 1 321.896 2.942 20 0 DFADMP CC(C)CC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000108865552 426022675 /nfs/dbraw/zinc/02/26/75/426022675.db2.gz DXTVILXVYAVLHZ-UHFFFAOYSA-N 2 1 303.494 2.782 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc(C3CC3)n2)CC1 ZINC000161681813 426034668 /nfs/dbraw/zinc/03/46/68/426034668.db2.gz SIXBJIRMDZILPS-ZDUSSCGKSA-N 2 1 323.506 2.545 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2csc(C3CC3)n2)CC1 ZINC000161681813 426034672 /nfs/dbraw/zinc/03/46/72/426034672.db2.gz SIXBJIRMDZILPS-ZDUSSCGKSA-N 2 1 323.506 2.545 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@H+]2CCCC3(CCCCC3)C2)CC1 ZINC000111324071 426046976 /nfs/dbraw/zinc/04/69/76/426046976.db2.gz IOSJGEHDMWLXCJ-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccco3)CC2)oc1C ZINC000111412050 426048723 /nfs/dbraw/zinc/04/87/23/426048723.db2.gz MUYKWZCQIPVRMH-UHFFFAOYSA-N 2 1 303.406 2.886 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000127246447 426056978 /nfs/dbraw/zinc/05/69/78/426056978.db2.gz FPVGZNPFKDUMON-UHFFFAOYSA-N 2 1 318.248 2.863 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@H](C)C1 ZINC000162302783 426060720 /nfs/dbraw/zinc/06/07/20/426060720.db2.gz QHQFXYWURBFKSQ-IAQYHMDHSA-N 2 1 300.368 2.966 20 0 DFADMP Cc1cccc(OC[C@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860224 426087978 /nfs/dbraw/zinc/08/79/78/426087978.db2.gz QIYWIVNNSUCZMI-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000075860224 426087981 /nfs/dbraw/zinc/08/79/81/426087981.db2.gz QIYWIVNNSUCZMI-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000075860224 426087983 /nfs/dbraw/zinc/08/79/83/426087983.db2.gz QIYWIVNNSUCZMI-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000075860224 426087986 /nfs/dbraw/zinc/08/79/86/426087986.db2.gz QIYWIVNNSUCZMI-ZWKOTPCHSA-N 2 1 320.477 2.541 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2ccccc2[nH]c1=O ZINC000075860257 426088341 /nfs/dbraw/zinc/08/83/41/426088341.db2.gz FCHAUFPWOLKEJE-KRWDZBQOSA-N 2 1 313.445 2.834 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1cc2ccccc2[nH]c1=O ZINC000075860257 426088343 /nfs/dbraw/zinc/08/83/43/426088343.db2.gz FCHAUFPWOLKEJE-KRWDZBQOSA-N 2 1 313.445 2.834 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1cc2ccccc2[nH]c1=O ZINC000075860257 426088344 /nfs/dbraw/zinc/08/83/44/426088344.db2.gz FCHAUFPWOLKEJE-KRWDZBQOSA-N 2 1 313.445 2.834 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1cc2ccccc2[nH]c1=O ZINC000075860257 426088347 /nfs/dbraw/zinc/08/83/47/426088347.db2.gz FCHAUFPWOLKEJE-KRWDZBQOSA-N 2 1 313.445 2.834 20 0 DFADMP C[C@@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000127877258 426090811 /nfs/dbraw/zinc/09/08/11/426090811.db2.gz APFNHXIMYGRIJO-INIZCTEOSA-N 2 1 321.484 2.792 20 0 DFADMP C[C@H](C[NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000127877496 426090996 /nfs/dbraw/zinc/09/09/96/426090996.db2.gz APFNHXIMYGRIJO-MRXNPFEDSA-N 2 1 321.484 2.792 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)C3CCOCC3)CC2)[nH+]1 ZINC000128248467 426109403 /nfs/dbraw/zinc/10/94/03/426109403.db2.gz QFAYGCORDQBZEV-HNNXBMFYSA-N 2 1 303.450 2.764 20 0 DFADMP C[N@@H+](CCNC(=O)CC[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000165004488 426119451 /nfs/dbraw/zinc/11/94/51/426119451.db2.gz NSAAYSXUBMQAJR-SFHVURJKSA-N 2 1 317.477 2.847 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000165118607 426120510 /nfs/dbraw/zinc/12/05/10/426120510.db2.gz HOTRSCRDRHJXLV-IAGOWNOFSA-N 2 1 323.525 2.641 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000165299128 426121516 /nfs/dbraw/zinc/12/15/16/426121516.db2.gz NADBBPJWJOTMEA-NEWSRXKRSA-N 2 1 302.462 2.566 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC[NH+]1C ZINC000166330649 426127637 /nfs/dbraw/zinc/12/76/37/426127637.db2.gz IYVWDGMMYJXDNR-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@@H+]1C ZINC000166330649 426127640 /nfs/dbraw/zinc/12/76/40/426127640.db2.gz IYVWDGMMYJXDNR-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)CC[N@H+]1C ZINC000166330649 426127642 /nfs/dbraw/zinc/12/76/42/426127642.db2.gz IYVWDGMMYJXDNR-ONCXSQPRSA-N 2 1 315.505 2.969 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)s1 ZINC000128663537 426127928 /nfs/dbraw/zinc/12/79/28/426127928.db2.gz KRZIGDDYMRTNMR-HNNXBMFYSA-N 2 1 309.523 2.989 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000114175036 426128732 /nfs/dbraw/zinc/12/87/32/426128732.db2.gz CIRVVTOTJOGRRU-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000114175036 426128734 /nfs/dbraw/zinc/12/87/34/426128734.db2.gz CIRVVTOTJOGRRU-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[NH2+]C3)c2C1 ZINC000166933846 426130221 /nfs/dbraw/zinc/13/02/21/426130221.db2.gz OPAQZIBWFRETGP-HNNXBMFYSA-N 2 1 315.461 2.986 20 0 DFADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128719825 426130415 /nfs/dbraw/zinc/13/04/15/426130415.db2.gz ATSNCFSQZYBDEL-DNVCBOLYSA-N 2 1 319.468 2.676 20 0 DFADMP CC[N@@H+](CC(=O)NC1CCC([NH+]2CCC(C)CC2)CC1)C1CC1 ZINC000128819714 426134821 /nfs/dbraw/zinc/13/48/21/426134821.db2.gz KGPWXZGBERPULX-UHFFFAOYSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)CCC2CCCCC2)CC1 ZINC000114456226 426136636 /nfs/dbraw/zinc/13/66/36/426136636.db2.gz AEZLKDFMGFVSDE-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+](CC)[C@@H](C)C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000127586805 426073685 /nfs/dbraw/zinc/07/36/85/426073685.db2.gz AOHFAXMOLGKUOS-GJZGRUSLSA-N 2 1 308.466 2.955 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCOC3)CC2)oc1C ZINC000162734229 426074823 /nfs/dbraw/zinc/07/48/23/426074823.db2.gz AOHVTTUOBCUTBO-PBHICJAKSA-N 2 1 321.465 2.518 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000162841053 426080076 /nfs/dbraw/zinc/08/00/76/426080076.db2.gz BDYFSVRQKTXUOV-UHFFFAOYSA-N 2 1 316.424 2.933 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCN(c2ccc(F)cc2)CC1 ZINC000162841053 426080080 /nfs/dbraw/zinc/08/00/80/426080080.db2.gz BDYFSVRQKTXUOV-UHFFFAOYSA-N 2 1 316.424 2.933 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000162891017 426081364 /nfs/dbraw/zinc/08/13/64/426081364.db2.gz KSOFZOUVGOHIMH-ROUUACIJSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000075677009 426081414 /nfs/dbraw/zinc/08/14/14/426081414.db2.gz MJSJYQFSEHXVQG-QGZVFWFLSA-N 2 1 310.482 2.772 20 0 DFADMP CC(C)OC(=O)CC[N@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000075677009 426081416 /nfs/dbraw/zinc/08/14/16/426081416.db2.gz MJSJYQFSEHXVQG-QGZVFWFLSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000116879074 426200566 /nfs/dbraw/zinc/20/05/66/426200566.db2.gz FSNMNLMEANXTBQ-ICSRJNTNSA-N 2 1 315.505 2.892 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(C)c3ccccc32)[C@H](C)C1 ZINC000130134717 426148369 /nfs/dbraw/zinc/14/83/69/426148369.db2.gz RTWXHBLWFPCEDW-RYRKJORJSA-N 2 1 301.478 2.930 20 0 DFADMP COCCC[NH+]1CCC([NH2+]CC2=Cc3ccccc3OC2)CC1 ZINC000171095548 426169872 /nfs/dbraw/zinc/16/98/72/426169872.db2.gz WVPIQIHWSXHKOA-UHFFFAOYSA-N 2 1 316.445 2.553 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H](C)C[NH+]3CCCC3)c(C)n2n1 ZINC000171141381 426172357 /nfs/dbraw/zinc/17/23/57/426172357.db2.gz IKZQLVMCDPJSRR-DZGCQCFKSA-N 2 1 315.465 2.729 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CCC[NH+]2C)cc1)C(C)C ZINC000171275347 426180437 /nfs/dbraw/zinc/18/04/37/426180437.db2.gz UIACMESDUACPBM-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@@H+]2C)cc1)C(C)C ZINC000171275347 426180439 /nfs/dbraw/zinc/18/04/39/426180439.db2.gz UIACMESDUACPBM-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cc1)C(C)C ZINC000171275347 426180442 /nfs/dbraw/zinc/18/04/42/426180442.db2.gz UIACMESDUACPBM-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP C[NH+](C)CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000171391379 426188440 /nfs/dbraw/zinc/18/84/40/426188440.db2.gz WCTDHMFTLMRCTI-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000116396612 426188947 /nfs/dbraw/zinc/18/89/47/426188947.db2.gz HDJNWMTXQRTESI-WBVHZDCISA-N 2 1 319.493 2.647 20 0 DFADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCN(c2ccccc2)C1=O)C(C)(C)C ZINC000116396355 426189004 /nfs/dbraw/zinc/18/90/04/426189004.db2.gz BDSWWMFATOXEFN-IRXDYDNUSA-N 2 1 317.477 2.748 20 0 DFADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCN(c2ccccc2)C1=O)C(C)(C)C ZINC000116396348 426189038 /nfs/dbraw/zinc/18/90/38/426189038.db2.gz BDSWWMFATOXEFN-IAGOWNOFSA-N 2 1 317.477 2.748 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000081096859 426220577 /nfs/dbraw/zinc/22/05/77/426220577.db2.gz IYFYFZIOFUAKGC-RHSMWYFYSA-N 2 1 304.434 2.635 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000081096859 426220581 /nfs/dbraw/zinc/22/05/81/426220581.db2.gz IYFYFZIOFUAKGC-RHSMWYFYSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000081096859 426220583 /nfs/dbraw/zinc/22/05/83/426220583.db2.gz IYFYFZIOFUAKGC-RHSMWYFYSA-N 2 1 304.434 2.635 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)OC)c2)[C@H](C)C1 ZINC000081096859 426220587 /nfs/dbraw/zinc/22/05/87/426220587.db2.gz IYFYFZIOFUAKGC-RHSMWYFYSA-N 2 1 304.434 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@H]([NH+]2CCCCCC2)C1 ZINC000136385595 426240178 /nfs/dbraw/zinc/24/01/78/426240178.db2.gz WLIBVHPYUOYLOX-SFHVURJKSA-N 2 1 304.482 2.922 20 0 DFADMP Cc1ccc(NCCCNC(=O)[C@H](C)[NH+]2CCCCCC2)[nH+]c1 ZINC000173781320 426247471 /nfs/dbraw/zinc/24/74/71/426247471.db2.gz CZEDESGOJHZIQN-INIZCTEOSA-N 2 1 318.465 2.573 20 0 DFADMP Cc1ccc2c(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)cc(=O)oc2c1 ZINC000118843209 426248204 /nfs/dbraw/zinc/24/82/04/426248204.db2.gz YEHKQOHFMCXMFS-HNNXBMFYSA-N 2 1 314.429 2.875 20 0 DFADMP Cc1ccc2c(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)cc(=O)oc2c1 ZINC000118843209 426248207 /nfs/dbraw/zinc/24/82/07/426248207.db2.gz YEHKQOHFMCXMFS-HNNXBMFYSA-N 2 1 314.429 2.875 20 0 DFADMP Cc1ccc2c(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)cc(=O)oc2c1 ZINC000118843209 426248208 /nfs/dbraw/zinc/24/82/08/426248208.db2.gz YEHKQOHFMCXMFS-HNNXBMFYSA-N 2 1 314.429 2.875 20 0 DFADMP Cc1ccc2c(C[NH+](C)C[C@H]3CCC[N@@H+](C)C3)cc(=O)oc2c1 ZINC000118843209 426248211 /nfs/dbraw/zinc/24/82/11/426248211.db2.gz YEHKQOHFMCXMFS-HNNXBMFYSA-N 2 1 314.429 2.875 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOCCc2ccccc2)C1 ZINC000173884954 426250192 /nfs/dbraw/zinc/25/01/92/426250192.db2.gz IBABWYOGDYRFCO-IBGZPJMESA-N 2 1 304.478 2.909 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000173884954 426250193 /nfs/dbraw/zinc/25/01/93/426250193.db2.gz IBABWYOGDYRFCO-IBGZPJMESA-N 2 1 304.478 2.909 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000173884954 426250197 /nfs/dbraw/zinc/25/01/97/426250197.db2.gz IBABWYOGDYRFCO-IBGZPJMESA-N 2 1 304.478 2.909 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@H](C)C1 ZINC000119239909 426271700 /nfs/dbraw/zinc/27/17/00/426271700.db2.gz QKYBMVBSAYOLAH-VQIMIIECSA-N 2 1 312.461 2.751 20 0 DFADMP Cc1noc(CC[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)n1 ZINC000089518095 426295655 /nfs/dbraw/zinc/29/56/55/426295655.db2.gz HJFCHMSOOIHMOX-LBPRGKRZSA-N 2 1 311.389 2.765 20 0 DFADMP CC(C)(C)c1cnc(C[NH+]2CCC(OCCC[NH3+])CC2)s1 ZINC000339405742 268808552 /nfs/dbraw/zinc/80/85/52/268808552.db2.gz CKPGUWGDXXTFGA-UHFFFAOYSA-N 2 1 311.495 2.770 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119566385 426297468 /nfs/dbraw/zinc/29/74/68/426297468.db2.gz OABYRMVKAHSGPY-RDJZCZTQSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667509 426301165 /nfs/dbraw/zinc/30/11/65/426301165.db2.gz OOKCQJOXKQSVPZ-UMVBOHGHSA-N 2 1 307.507 2.883 20 0 DFADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)cc(OC)c1OC ZINC000121240727 426327851 /nfs/dbraw/zinc/32/78/51/426327851.db2.gz IFOBUGJJJOPAOU-UMVBOHGHSA-N 2 1 322.449 2.531 20 0 DFADMP COc1cc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc(OC)c1OC ZINC000121240727 426327855 /nfs/dbraw/zinc/32/78/55/426327855.db2.gz IFOBUGJJJOPAOU-UMVBOHGHSA-N 2 1 322.449 2.531 20 0 DFADMP C[N@H+](Cc1ccc(CO)o1)C1CCN(Cc2ccccc2)CC1 ZINC000119321485 426277771 /nfs/dbraw/zinc/27/77/71/426277771.db2.gz SHJXAMXFNOPXSG-UHFFFAOYSA-N 2 1 314.429 2.868 20 0 DFADMP C[N@@H+](Cc1ccc(CO)o1)C1CCN(Cc2ccccc2)CC1 ZINC000119321485 426277775 /nfs/dbraw/zinc/27/77/75/426277775.db2.gz SHJXAMXFNOPXSG-UHFFFAOYSA-N 2 1 314.429 2.868 20 0 DFADMP FC(F)(F)OCC[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000089051615 426278856 /nfs/dbraw/zinc/27/88/56/426278856.db2.gz SGRHXUAOXGBVOC-UHFFFAOYSA-N 2 1 302.340 2.777 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000122808432 426395949 /nfs/dbraw/zinc/39/59/49/426395949.db2.gz RMOUVMHZKCVWEL-UKRRQHHQSA-N 2 1 304.434 2.765 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000122856587 426398784 /nfs/dbraw/zinc/39/87/84/426398784.db2.gz MQAMZAOVXSATPQ-CYBMUJFWSA-N 2 1 304.434 2.981 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000152409087 426342364 /nfs/dbraw/zinc/34/23/64/426342364.db2.gz RQEUDFLSYXFNCZ-RHSMWYFYSA-N 2 1 316.445 2.983 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092565365 426349971 /nfs/dbraw/zinc/34/99/71/426349971.db2.gz XNDIOZNIFUZEJI-QQFBHYJXSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000152769657 426353483 /nfs/dbraw/zinc/35/34/83/426353483.db2.gz HXXGADDQAFIHTP-ZOBUZTSGSA-N 2 1 305.441 2.724 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000122097150 426357379 /nfs/dbraw/zinc/35/73/79/426357379.db2.gz XFHDWLZRFZQIMV-CWRNSKLLSA-N 2 1 323.481 2.506 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCOC1 ZINC000153243233 426377628 /nfs/dbraw/zinc/37/76/28/426377628.db2.gz ICYJEILTNLFWJD-WMZOPIPTSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NCCC[NH+]1CCc2ccccc2C1 ZINC000122780184 426393117 /nfs/dbraw/zinc/39/31/17/426393117.db2.gz WJGGCZDBAYFLFF-MBOZVWFJSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000122780184 426393119 /nfs/dbraw/zinc/39/31/19/426393119.db2.gz WJGGCZDBAYFLFF-MBOZVWFJSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000122780184 426393123 /nfs/dbraw/zinc/39/31/23/426393123.db2.gz WJGGCZDBAYFLFF-MBOZVWFJSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122780184 426393127 /nfs/dbraw/zinc/39/31/27/426393127.db2.gz WJGGCZDBAYFLFF-MBOZVWFJSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN1CCc2ccccc2C1 ZINC000122780184 426393130 /nfs/dbraw/zinc/39/31/30/426393130.db2.gz WJGGCZDBAYFLFF-MBOZVWFJSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NCc1cccnc1OC1CCCC1 ZINC000153886040 426411858 /nfs/dbraw/zinc/41/18/58/426411858.db2.gz HGWGEDMFUNMOFN-YOEHRIQHSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000154012637 426418777 /nfs/dbraw/zinc/41/87/77/426418777.db2.gz PBENOJDRGDTMBL-KDURUIRLSA-N 2 1 315.505 2.985 20 0 DFADMP Cc1cc(C(=O)C[NH+]2CCC(CCC[NH+](C)C)CC2)c(C)[nH]1 ZINC000123243024 426422708 /nfs/dbraw/zinc/42/27/08/426422708.db2.gz FHMIFKYIWNOZJI-UHFFFAOYSA-N 2 1 305.466 2.868 20 0 DFADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154323336 426435362 /nfs/dbraw/zinc/43/53/62/426435362.db2.gz VPVXRZQMEWUFLG-WFASDCNBSA-N 2 1 318.383 2.539 20 0 DFADMP CC[C@@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154328475 426437185 /nfs/dbraw/zinc/43/71/85/426437185.db2.gz UFSSLBGFNGPNCA-KBPBESRZSA-N 2 1 319.276 2.827 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1F ZINC000340698426 269001666 /nfs/dbraw/zinc/00/16/66/269001666.db2.gz OUYWQBGIXIOBOE-KSSFIOAISA-N 2 1 306.425 2.698 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@]1(C)CC[NH2+]C1 ZINC000340712828 269003107 /nfs/dbraw/zinc/00/31/07/269003107.db2.gz SWQJMBCGSDNVEB-LJQANCHMSA-N 2 1 312.461 2.941 20 0 DFADMP CN1CCC[C@@H]1C[NH2+]C1CCN(CCc2ccc(F)cc2)CC1 ZINC000154567692 426446257 /nfs/dbraw/zinc/44/62/57/426446257.db2.gz VVVCCFCAQANYRP-LJQANCHMSA-N 2 1 319.468 2.516 20 0 DFADMP Cc1ccc2nc(C[NH2+]Cc3ccc(C[NH+](C)C)cc3)cn2c1 ZINC000341084650 269041255 /nfs/dbraw/zinc/04/12/55/269041255.db2.gz YVVISNGITMRHJG-UHFFFAOYSA-N 2 1 308.429 2.994 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C2CCN(CC(F)F)CC2)C1 ZINC000341358804 269072089 /nfs/dbraw/zinc/07/20/89/269072089.db2.gz SBOAKAWCZQHHGG-HNNXBMFYSA-N 2 1 317.468 2.674 20 0 DFADMP COc1cccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000177298416 426465583 /nfs/dbraw/zinc/46/55/83/426465583.db2.gz GLCWEOAQRHFFAR-INIZCTEOSA-N 2 1 319.493 2.619 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)c1 ZINC000177322558 426467807 /nfs/dbraw/zinc/46/78/07/426467807.db2.gz RXORZUQGMLUISJ-NVXWUHKLSA-N 2 1 306.450 2.583 20 0 DFADMP CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1[nH+]cc(C)c(OC)c1C ZINC000177348784 426471436 /nfs/dbraw/zinc/47/14/36/426471436.db2.gz VNYUMTUOCWGZNZ-CVEARBPZSA-N 2 1 303.450 2.766 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2Cc1[nH+]cc(C)c(OC)c1C ZINC000177348784 426471441 /nfs/dbraw/zinc/47/14/41/426471441.db2.gz VNYUMTUOCWGZNZ-CVEARBPZSA-N 2 1 303.450 2.766 20 0 DFADMP CC[N@H+]1CC[C@@H](CNCc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000124172903 426474026 /nfs/dbraw/zinc/47/40/26/426474026.db2.gz WAGLKNUHMGKLTI-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000124172903 426474027 /nfs/dbraw/zinc/47/40/27/426474027.db2.gz WAGLKNUHMGKLTI-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000124172903 426474028 /nfs/dbraw/zinc/47/40/28/426474028.db2.gz WAGLKNUHMGKLTI-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CCc1cccc(C)c1NC(=O)CN(C)CCCn1ccnc1 ZINC000124210043 426475534 /nfs/dbraw/zinc/47/55/34/426475534.db2.gz HUOCHBBUEPDCKG-UHFFFAOYSA-N 2 1 314.433 2.715 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000124357908 426482025 /nfs/dbraw/zinc/48/20/25/426482025.db2.gz JPMKEOGHNYHATQ-ZBFHGGJFSA-N 2 1 318.461 2.709 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000124381856 426482543 /nfs/dbraw/zinc/48/25/43/426482543.db2.gz FLLUTKAHYQCTBE-HOCLYGCPSA-N 2 1 316.445 2.810 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000101659262 426485883 /nfs/dbraw/zinc/48/58/83/426485883.db2.gz WMCUAAQHAAZTFQ-OWCLPIDISA-N 2 1 309.498 2.628 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000272386999 426513039 /nfs/dbraw/zinc/51/30/39/426513039.db2.gz WXNAIXPQRBDWAT-UHFFFAOYSA-N 2 1 308.441 2.537 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000272386999 426513044 /nfs/dbraw/zinc/51/30/44/426513044.db2.gz WXNAIXPQRBDWAT-UHFFFAOYSA-N 2 1 308.441 2.537 20 0 DFADMP Cn1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272388883 426513702 /nfs/dbraw/zinc/51/37/02/426513702.db2.gz GTBVSUABGZLFSS-OWZKRDHZSA-N 2 1 324.472 2.748 20 0 DFADMP C[C@H](NCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272395605 426515336 /nfs/dbraw/zinc/51/53/36/426515336.db2.gz DGPPHVKTBMFAJU-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272395605 426515340 /nfs/dbraw/zinc/51/53/40/426515340.db2.gz DGPPHVKTBMFAJU-ICSRJNTNSA-N 3 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272395605 426515344 /nfs/dbraw/zinc/51/53/44/426515344.db2.gz DGPPHVKTBMFAJU-ICSRJNTNSA-N 3 1 315.505 2.973 20 0 DFADMP COc1ccccc1[C@@H](C[NH2+]C1CC[NH+](C)CC1)OC(C)C ZINC000186377664 426516892 /nfs/dbraw/zinc/51/68/92/426516892.db2.gz XCQUJUQULBMEPJ-GOSISDBHSA-N 2 1 306.450 2.845 20 0 DFADMP COc1ccnc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000280214593 426522378 /nfs/dbraw/zinc/52/23/78/426522378.db2.gz AHZCZTBZDSYXLK-HDICACEKSA-N 2 1 323.440 2.654 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCOCC(F)(F)F)C2)[nH+]1 ZINC000195516324 426534168 /nfs/dbraw/zinc/53/41/68/426534168.db2.gz RUWNYWQLDYBSQI-ZDUSSCGKSA-N 2 1 317.355 2.703 20 0 DFADMP Cc1nccn1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485139 426538899 /nfs/dbraw/zinc/53/88/99/426538899.db2.gz MMCKRRFTYYELSL-QFBILLFUSA-N 2 1 312.461 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485139 426538904 /nfs/dbraw/zinc/53/89/04/426538904.db2.gz MMCKRRFTYYELSL-QFBILLFUSA-N 3 1 312.461 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485139 426538906 /nfs/dbraw/zinc/53/89/06/426538906.db2.gz MMCKRRFTYYELSL-QFBILLFUSA-N 3 1 312.461 2.692 20 0 DFADMP C[C@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1C ZINC000177968765 426547523 /nfs/dbraw/zinc/54/75/23/426547523.db2.gz UUUNHBTVGJRMKJ-PXNSSMCTSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272537251 426551335 /nfs/dbraw/zinc/55/13/35/426551335.db2.gz RLMUSIKGXREWJD-GDAAHCPNSA-N 2 1 302.462 2.790 20 0 DFADMP CSCCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000177510408 426490685 /nfs/dbraw/zinc/49/06/85/426490685.db2.gz SMZWURPQUHOZJA-IYBDPMFKSA-N 2 1 314.539 2.951 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212710 426494460 /nfs/dbraw/zinc/49/44/60/426494460.db2.gz TZUGRGSOKQNDJA-OKZBNKHCSA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)c1nc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cs1 ZINC000186322448 426504394 /nfs/dbraw/zinc/50/43/94/426504394.db2.gz QFGNDXRYUCWBQW-OAHLLOKOSA-N 2 1 324.538 2.945 20 0 DFADMP c1c(Cc2noc([C@H]3CCC[N@@H+]3C3CC3)n2)nc2ccccn12 ZINC000289025997 426570216 /nfs/dbraw/zinc/57/02/16/426570216.db2.gz PNBDIZPMPSKLES-CQSZACIVSA-N 2 1 309.373 2.607 20 0 DFADMP c1c(Cc2noc([C@H]3CCC[N@H+]3C3CC3)n2)nc2ccccn12 ZINC000289025997 426570220 /nfs/dbraw/zinc/57/02/20/426570220.db2.gz PNBDIZPMPSKLES-CQSZACIVSA-N 2 1 309.373 2.607 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cn(C(C)C)nn2)c1 ZINC000289051273 426573141 /nfs/dbraw/zinc/57/31/41/426573141.db2.gz AGHMMOIHKSWGNZ-UHFFFAOYSA-N 2 1 315.465 2.991 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000265183408 426593881 /nfs/dbraw/zinc/59/38/81/426593881.db2.gz FJIGGBZXIWBBQZ-UHFFFAOYSA-N 2 1 313.445 2.513 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000265183408 426593883 /nfs/dbraw/zinc/59/38/83/426593883.db2.gz FJIGGBZXIWBBQZ-UHFFFAOYSA-N 2 1 313.445 2.513 20 0 DFADMP c1cc2c(ncnc2N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000280545816 426596659 /nfs/dbraw/zinc/59/66/59/426596659.db2.gz STWGXDMDXCBMOR-IYBDPMFKSA-N 2 1 319.412 2.526 20 0 DFADMP c1cc2c(nc[nH+]c2N2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000280545816 426596664 /nfs/dbraw/zinc/59/66/64/426596664.db2.gz STWGXDMDXCBMOR-IYBDPMFKSA-N 2 1 319.412 2.526 20 0 DFADMP c1cc2c(nc[nH+]c2N2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)[nH]1 ZINC000280545816 426596668 /nfs/dbraw/zinc/59/66/68/426596668.db2.gz STWGXDMDXCBMOR-IYBDPMFKSA-N 2 1 319.412 2.526 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1CCCOCC(F)(F)F ZINC000178297323 426602082 /nfs/dbraw/zinc/60/20/82/426602082.db2.gz IYJUOVPZZQEMQV-ZDUSSCGKSA-N 2 1 305.344 2.625 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(O)(Cc2cccc(F)c2)CC1 ZINC000186946724 426611905 /nfs/dbraw/zinc/61/19/05/426611905.db2.gz KRUUJEDPFZQPOR-GOSISDBHSA-N 2 1 320.452 2.679 20 0 DFADMP COCC[C@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178375709 426618150 /nfs/dbraw/zinc/61/81/50/426618150.db2.gz QGHSNGNPGKGADX-KSSFIOAISA-N 2 1 317.433 2.619 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000178033080 426558797 /nfs/dbraw/zinc/55/87/97/426558797.db2.gz SVFBPEABRHWNEV-AWEZNQCLSA-N 2 1 303.450 2.954 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]C[C@@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000187115237 426631094 /nfs/dbraw/zinc/63/10/94/426631094.db2.gz SWNQQFWCTOPUPB-GOEBONIOSA-N 2 1 308.441 2.944 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(F)cc(Cl)c1 ZINC000289390758 426645639 /nfs/dbraw/zinc/64/56/39/426645639.db2.gz DXHFXBXNNVRUJL-UHFFFAOYSA-N 2 1 313.848 2.548 20 0 DFADMP COCCC[C@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000178620348 426665649 /nfs/dbraw/zinc/66/56/49/426665649.db2.gz NCHZDSKSJVSJHL-PKOBYXMFSA-N 2 1 304.478 2.956 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000236669135 426672081 /nfs/dbraw/zinc/67/20/81/426672081.db2.gz JIKQBNYXKIRGNT-MRXNPFEDSA-N 2 1 319.493 2.778 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H](c1cccnc1)C1CCC1 ZINC000280862905 426672886 /nfs/dbraw/zinc/67/28/86/426672886.db2.gz NITXJDZBOBKAID-RTBURBONSA-N 2 1 317.477 2.749 20 0 DFADMP Cc1ccncc1CCC[N@H+](C)[C@H]1CCCC[C@@H]1S(C)(=O)=O ZINC000290049840 426680787 /nfs/dbraw/zinc/68/07/87/426680787.db2.gz OPNGRFMERKHQFN-IRXDYDNUSA-N 2 1 324.490 2.610 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000236749298 426682397 /nfs/dbraw/zinc/68/23/97/426682397.db2.gz GGBIDKKKHIYRAD-SJLPKXTDSA-N 2 1 323.525 2.783 20 0 DFADMP C[N@@H+](C[C@H](O)CN[C@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301424 426623054 /nfs/dbraw/zinc/62/30/54/426623054.db2.gz CTXIRNSZAXHPDZ-IAGOWNOFSA-N 2 1 308.441 2.958 20 0 DFADMP CN(C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301424 426623057 /nfs/dbraw/zinc/62/30/57/426623057.db2.gz CTXIRNSZAXHPDZ-IAGOWNOFSA-N 2 1 308.441 2.958 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301424 426623060 /nfs/dbraw/zinc/62/30/60/426623060.db2.gz CTXIRNSZAXHPDZ-IAGOWNOFSA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301424 426623064 /nfs/dbraw/zinc/62/30/64/426623064.db2.gz CTXIRNSZAXHPDZ-IAGOWNOFSA-N 2 1 308.441 2.958 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(COCCOC)cc2)C1 ZINC000290146978 426702829 /nfs/dbraw/zinc/70/28/29/426702829.db2.gz WHJWFHAVMIVJDR-IBGZPJMESA-N 2 1 320.477 2.623 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(COCCOC)cc2)C1 ZINC000290146978 426702835 /nfs/dbraw/zinc/70/28/35/426702835.db2.gz WHJWFHAVMIVJDR-IBGZPJMESA-N 2 1 320.477 2.623 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000290146978 426702838 /nfs/dbraw/zinc/70/28/38/426702838.db2.gz WHJWFHAVMIVJDR-IBGZPJMESA-N 2 1 320.477 2.623 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(COCCOC)cc2)C1 ZINC000290146978 426702842 /nfs/dbraw/zinc/70/28/42/426702842.db2.gz WHJWFHAVMIVJDR-IBGZPJMESA-N 2 1 320.477 2.623 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H](C)c3nccnc3C)CC2)[nH+]1 ZINC000188029478 426716137 /nfs/dbraw/zinc/71/61/37/426716137.db2.gz WDXDBJKUXVTKBC-OAHLLOKOSA-N 2 1 311.433 2.808 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)cccc3C)C2)CC1 ZINC000265804352 426692921 /nfs/dbraw/zinc/69/29/21/426692921.db2.gz OEMBHSYVHQLKQB-GOSISDBHSA-N 2 1 301.478 2.515 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245735924 426767419 /nfs/dbraw/zinc/76/74/19/426767419.db2.gz QUJGJYCYXJYEOA-OKYOBFRVSA-N 2 1 302.462 2.789 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc3ccccc3c2)CC1(C)C ZINC000281861021 426780042 /nfs/dbraw/zinc/78/00/42/426780042.db2.gz ANHRYEJPKICCPP-UHFFFAOYSA-N 2 1 311.473 2.955 20 0 DFADMP CCn1nc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c2ccccc21 ZINC000274504997 426782473 /nfs/dbraw/zinc/78/24/73/426782473.db2.gz SVJSLVVUAILAAY-YJBOKZPZSA-N 2 1 312.461 2.972 20 0 DFADMP COC(=O)[C@@H](c1ccccc1)N1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000245930463 426784608 /nfs/dbraw/zinc/78/46/08/426784608.db2.gz JBIBAJWAMKNWPA-IAGOWNOFSA-N 2 1 313.401 2.570 20 0 DFADMP c1ccc(CCCO[C@H]2CC[N@@H+](CC3CC[NH2+]CC3)C2)cc1 ZINC000178976578 426729296 /nfs/dbraw/zinc/72/92/96/426729296.db2.gz XDQBZKSRMOUISZ-IBGZPJMESA-N 2 1 302.462 2.710 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCc2ccc3c(c2)CCO3)CC1 ZINC000266542900 426736476 /nfs/dbraw/zinc/73/64/76/426736476.db2.gz QNTWUSVJIYLAEV-UHFFFAOYSA-N 2 1 302.462 2.969 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)ccc1F ZINC000245501694 426744178 /nfs/dbraw/zinc/74/41/78/426744178.db2.gz DFYJFXVQWOAKRZ-ZBFHGGJFSA-N 2 1 324.440 2.722 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274346936 426748061 /nfs/dbraw/zinc/74/80/61/426748061.db2.gz JNHPZIRRQZSGQC-PXNSSMCTSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN(Cc2ccccc2)C1 ZINC000274346945 426749722 /nfs/dbraw/zinc/74/97/22/426749722.db2.gz JNHPZIRRQZSGQC-YLJYHZDGSA-N 2 1 313.489 2.749 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3c[nH]c4nccnc34)C2)[nH+]1 ZINC000290422476 426761790 /nfs/dbraw/zinc/76/17/90/426761790.db2.gz MKDWXFUYSKIZJL-AWEZNQCLSA-N 2 1 322.416 2.595 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)[nH+]1 ZINC000290422476 426761795 /nfs/dbraw/zinc/76/17/95/426761795.db2.gz MKDWXFUYSKIZJL-AWEZNQCLSA-N 2 1 322.416 2.595 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(OC)c1 ZINC000290592400 426801954 /nfs/dbraw/zinc/80/19/54/426801954.db2.gz VJTWROFAVGLQJS-INIZCTEOSA-N 2 1 318.461 2.868 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000179605939 426805110 /nfs/dbraw/zinc/80/51/10/426805110.db2.gz WUEUSKVVFMCEEO-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000179605939 426805117 /nfs/dbraw/zinc/80/51/17/426805117.db2.gz WUEUSKVVFMCEEO-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000179637611 426807573 /nfs/dbraw/zinc/80/75/73/426807573.db2.gz WPLMSIOXVKXGKQ-ZDUSSCGKSA-N 2 1 302.340 2.969 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OC(F)(F)F)c2)C1 ZINC000179637611 426807577 /nfs/dbraw/zinc/80/75/77/426807577.db2.gz WPLMSIOXVKXGKQ-ZDUSSCGKSA-N 2 1 302.340 2.969 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000246197646 426809631 /nfs/dbraw/zinc/80/96/31/426809631.db2.gz DPPHCHQNGJFPQO-OWCLPIDISA-N 2 1 309.498 2.521 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000246255148 426814901 /nfs/dbraw/zinc/81/49/01/426814901.db2.gz KGINKHUPNQRKQA-CGTJXYLNSA-N 2 1 317.477 2.531 20 0 DFADMP CC1CCC(O)(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)CC1 ZINC000246279250 426817292 /nfs/dbraw/zinc/81/72/92/426817292.db2.gz AUZXHZISHRXRIC-DPCKTDSQSA-N 2 1 306.494 2.876 20 0 DFADMP CC1CCC(O)(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000246279250 426817296 /nfs/dbraw/zinc/81/72/96/426817296.db2.gz AUZXHZISHRXRIC-DPCKTDSQSA-N 2 1 306.494 2.876 20 0 DFADMP CC1CCC(O)(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000246279250 426817299 /nfs/dbraw/zinc/81/72/99/426817299.db2.gz AUZXHZISHRXRIC-DPCKTDSQSA-N 2 1 306.494 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccn3ccnc3c2)C1 ZINC000290689352 426819644 /nfs/dbraw/zinc/81/96/44/426819644.db2.gz MMHUWDDFTJJSEL-AWEZNQCLSA-N 2 1 315.421 2.530 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(N2CCc3ccccc32)CC1 ZINC000282056590 426821451 /nfs/dbraw/zinc/82/14/51/426821451.db2.gz MIDSZZJLPBAMIQ-SFHVURJKSA-N 2 1 313.489 2.998 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000246351586 426822526 /nfs/dbraw/zinc/82/25/26/426822526.db2.gz DCCRYVVQHDAINL-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP CC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246392899 426828036 /nfs/dbraw/zinc/82/80/36/426828036.db2.gz BEPZUTHAMHKSFV-WMZOPIPTSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246392899 426828041 /nfs/dbraw/zinc/82/80/41/426828041.db2.gz BEPZUTHAMHKSFV-WMZOPIPTSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246392899 426828045 /nfs/dbraw/zinc/82/80/45/426828045.db2.gz BEPZUTHAMHKSFV-WMZOPIPTSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246392899 426828047 /nfs/dbraw/zinc/82/80/47/426828047.db2.gz BEPZUTHAMHKSFV-WMZOPIPTSA-N 2 1 316.445 2.684 20 0 DFADMP CC(C)(O)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000274759828 426832223 /nfs/dbraw/zinc/83/22/23/426832223.db2.gz DFYIYGGFXMCYEK-OKZBNKHCSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)(O)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000274759826 426832234 /nfs/dbraw/zinc/83/22/34/426832234.db2.gz DFYIYGGFXMCYEK-KZNAEPCWSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](CO)CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274758196 426832457 /nfs/dbraw/zinc/83/24/57/426832457.db2.gz JMEJZJNGOBVADA-LNLFQRSKSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[C@@H]1CCC[NH+]1C ZINC000274872208 426855100 /nfs/dbraw/zinc/85/51/00/426855100.db2.gz XOURHFOZQOASSY-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[C@@H]1CCC[N@@H+]1C ZINC000274872208 426855104 /nfs/dbraw/zinc/85/51/04/426855104.db2.gz XOURHFOZQOASSY-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[C@@H]1CCC[N@H+]1C ZINC000274872208 426855108 /nfs/dbraw/zinc/85/51/08/426855108.db2.gz XOURHFOZQOASSY-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCC[NH+]1C ZINC000274872213 426855214 /nfs/dbraw/zinc/85/52/14/426855214.db2.gz XOURHFOZQOASSY-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCC[N@@H+]1C ZINC000274872213 426855215 /nfs/dbraw/zinc/85/52/15/426855215.db2.gz XOURHFOZQOASSY-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NCC[C@H]1CCC[N@H+]1C ZINC000274872213 426855219 /nfs/dbraw/zinc/85/52/19/426855219.db2.gz XOURHFOZQOASSY-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1csc2ccccc12 ZINC000266918629 426796469 /nfs/dbraw/zinc/79/64/69/426796469.db2.gz LHGVJEWGBVPHNY-UHFFFAOYSA-N 2 1 317.502 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H](C)C1 ZINC000247193058 426915027 /nfs/dbraw/zinc/91/50/27/426915027.db2.gz VWRLJOJIPBGAMI-LNLFQRSKSA-N 2 1 301.478 2.833 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954999 426917803 /nfs/dbraw/zinc/91/78/03/426917803.db2.gz IEZZAPMJLTYDHO-QYZOEREBSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954999 426917809 /nfs/dbraw/zinc/91/78/09/426917809.db2.gz IEZZAPMJLTYDHO-QYZOEREBSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@@H]4CCCO4)C[C@@H]3C2)cc1 ZINC000309954999 426917814 /nfs/dbraw/zinc/91/78/14/426917814.db2.gz IEZZAPMJLTYDHO-QYZOEREBSA-N 2 1 300.446 2.619 20 0 DFADMP C[C@H]1C[NH+](CCCCCC[N@H+]2CCCO[C@@H](C)C2)CCCO1 ZINC000247239876 426919708 /nfs/dbraw/zinc/91/97/08/426919708.db2.gz SFDKDILCUGDCFW-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP CCn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310427128 426920006 /nfs/dbraw/zinc/92/00/06/426920006.db2.gz RVZUHSZSRZXRKH-PMACEKPBSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310427128 426920014 /nfs/dbraw/zinc/92/00/14/426920014.db2.gz RVZUHSZSRZXRKH-PMACEKPBSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310427128 426920019 /nfs/dbraw/zinc/92/00/19/426920019.db2.gz RVZUHSZSRZXRKH-PMACEKPBSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310427128 426920027 /nfs/dbraw/zinc/92/00/27/426920027.db2.gz RVZUHSZSRZXRKH-PMACEKPBSA-N 2 1 324.472 2.857 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309876671 426920207 /nfs/dbraw/zinc/92/02/07/426920207.db2.gz UILHKKVZRMJCFC-WDSOQIARSA-N 3 1 301.478 2.629 20 0 DFADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000247259871 426920210 /nfs/dbraw/zinc/92/02/10/426920210.db2.gz ROIGBNSOMXBDKS-UWWQBHOKSA-N 2 1 312.461 2.999 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000247242981 426920942 /nfs/dbraw/zinc/92/09/42/426920942.db2.gz SMCXKMIFVAWQPR-CABCVRRESA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H](C)C(=O)NC(C)(C)CC)C1 ZINC000247242981 426920947 /nfs/dbraw/zinc/92/09/47/426920947.db2.gz SMCXKMIFVAWQPR-CABCVRRESA-N 2 1 320.481 2.776 20 0 DFADMP C[C@@H](CC(N)=O)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000267285571 426864122 /nfs/dbraw/zinc/86/41/22/426864122.db2.gz WIXUWDRDIOUIKE-HNNXBMFYSA-N 2 1 317.477 2.805 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2nccn21 ZINC000295224057 426868628 /nfs/dbraw/zinc/86/86/28/426868628.db2.gz NALJCGOBQPQYHD-PBHICJAKSA-N 2 1 314.433 2.619 20 0 DFADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)C1 ZINC000246851200 426871942 /nfs/dbraw/zinc/87/19/42/426871942.db2.gz CAVRXJXFPKIDMT-LUKYLMHMSA-N 2 1 317.477 2.592 20 0 DFADMP CN(C)C[C@@H]1C[N@@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000189510326 426872154 /nfs/dbraw/zinc/87/21/54/426872154.db2.gz VMCZNTOLNDQZIW-GUDVDZBRSA-N 2 1 302.462 2.759 20 0 DFADMP CN(C)C[C@@H]1C[N@H+]([C@@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000189510326 426872158 /nfs/dbraw/zinc/87/21/58/426872158.db2.gz VMCZNTOLNDQZIW-GUDVDZBRSA-N 2 1 302.462 2.759 20 0 DFADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246851170 426872628 /nfs/dbraw/zinc/87/26/28/426872628.db2.gz CAVRXJXFPKIDMT-LTIDMASMSA-N 2 1 317.477 2.592 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCCN(Cc2ccncc2)CC1 ZINC000275614422 426881633 /nfs/dbraw/zinc/88/16/33/426881633.db2.gz JALYGTBKMUFVLJ-LJQANCHMSA-N 2 1 310.445 2.963 20 0 DFADMP CN(Cc1ccccn1)[C@@H]1CCC[N@H+](Cc2ccncc2)CC1 ZINC000275614422 426881639 /nfs/dbraw/zinc/88/16/39/426881639.db2.gz JALYGTBKMUFVLJ-LJQANCHMSA-N 2 1 310.445 2.963 20 0 DFADMP CN(Cc1ccccn1)[C@@H]1CCC[N@@H+](Cc2ccncc2)CC1 ZINC000275614422 426881642 /nfs/dbraw/zinc/88/16/42/426881642.db2.gz JALYGTBKMUFVLJ-LJQANCHMSA-N 2 1 310.445 2.963 20 0 DFADMP C[N@@H+]1CCC[C@@H]2CN(Cc3cnc(-c4ccccc4)[nH]3)CC[C@@H]21 ZINC000180732987 426886107 /nfs/dbraw/zinc/88/61/07/426886107.db2.gz WUKKGWZCNZEEOQ-AEFFLSMTSA-N 2 1 310.445 2.993 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(Cc3cnc(-c4ccccc4)[nH]3)CC[C@@H]21 ZINC000180732987 426886115 /nfs/dbraw/zinc/88/61/15/426886115.db2.gz WUKKGWZCNZEEOQ-AEFFLSMTSA-N 2 1 310.445 2.993 20 0 DFADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000282349977 426889424 /nfs/dbraw/zinc/88/94/24/426889424.db2.gz PERKBGFSPBQXSD-KRWDZBQOSA-N 2 1 307.457 2.892 20 0 DFADMP C[C@H](CCCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000305175981 426890917 /nfs/dbraw/zinc/89/09/17/426890917.db2.gz VHZLXHPSGTZRRB-OAHLLOKOSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000268034474 426895428 /nfs/dbraw/zinc/89/54/28/426895428.db2.gz NIXFXQWDUQCPCH-AWEZNQCLSA-N 2 1 323.506 2.660 20 0 DFADMP Cc1oc2ccccc2c1C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000282379870 426895549 /nfs/dbraw/zinc/89/55/49/426895549.db2.gz OIGMMEHLXTUDNH-UHFFFAOYSA-N 2 1 315.461 2.857 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337665285 426909628 /nfs/dbraw/zinc/90/96/28/426909628.db2.gz LMJUVORQHUZZAO-LZQZEXGQSA-N 2 1 302.462 2.866 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@H]([NH3+])[C@@H](c2ccccc2)C1 ZINC000337665285 426909632 /nfs/dbraw/zinc/90/96/32/426909632.db2.gz LMJUVORQHUZZAO-LZQZEXGQSA-N 2 1 302.462 2.866 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000316206829 426946738 /nfs/dbraw/zinc/94/67/38/426946738.db2.gz QEKLLWDDXMYYRQ-INIZCTEOSA-N 2 1 311.514 2.768 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1cc(Cl)ccc1F ZINC000189781618 426949546 /nfs/dbraw/zinc/94/95/46/426949546.db2.gz FNVMJTISJMLISF-UHFFFAOYSA-N 2 1 313.848 2.548 20 0 DFADMP CCC[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000295418320 426951463 /nfs/dbraw/zinc/95/14/63/426951463.db2.gz XXZKJIUYAPFNAY-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000295418320 426951468 /nfs/dbraw/zinc/95/14/68/426951468.db2.gz XXZKJIUYAPFNAY-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP CCC[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000295418320 426951474 /nfs/dbraw/zinc/95/14/74/426951474.db2.gz XXZKJIUYAPFNAY-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC[C@@H]1[NH3+] ZINC000316802354 426951943 /nfs/dbraw/zinc/95/19/43/426951943.db2.gz HVSNBAZYEUWDBX-IOASZLSFSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC[C@@H]1[NH3+] ZINC000316802354 426951950 /nfs/dbraw/zinc/95/19/50/426951950.db2.gz HVSNBAZYEUWDBX-IOASZLSFSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C)O[C@@H](C)C2 ZINC000317141047 426955821 /nfs/dbraw/zinc/95/58/21/426955821.db2.gz KBUXVUDXZBNOHN-XJKSGUPXSA-N 2 1 306.450 2.824 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)O[C@@H](C)C2 ZINC000317141047 426955827 /nfs/dbraw/zinc/95/58/27/426955827.db2.gz KBUXVUDXZBNOHN-XJKSGUPXSA-N 2 1 306.450 2.824 20 0 DFADMP Cc1ccc(OC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)nc1 ZINC000181552236 426961966 /nfs/dbraw/zinc/96/19/66/426961966.db2.gz ZWICFEHSTVEAMQ-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ccc(OC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)nc1 ZINC000181552236 426961975 /nfs/dbraw/zinc/96/19/75/426961975.db2.gz ZWICFEHSTVEAMQ-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP COc1ccc(Br)cc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291716782 426963052 /nfs/dbraw/zinc/96/30/52/426963052.db2.gz LYHPIAKEFMMURP-LLVKDONJSA-N 2 1 315.255 2.745 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000337779730 426967944 /nfs/dbraw/zinc/96/79/44/426967944.db2.gz AJKOYEVEELWSEZ-ZWKOTPCHSA-N 2 1 302.462 2.913 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCOC1 ZINC000337779730 426967949 /nfs/dbraw/zinc/96/79/49/426967949.db2.gz AJKOYEVEELWSEZ-ZWKOTPCHSA-N 2 1 302.462 2.913 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(Cc2ncnn2C(C)(C)C)C1 ZINC000283215508 426977584 /nfs/dbraw/zinc/97/75/84/426977584.db2.gz SGXQNCGIZGBDES-CQSZACIVSA-N 2 1 316.453 2.629 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)CC(F)(F)F)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000189933779 426983342 /nfs/dbraw/zinc/98/33/42/426983342.db2.gz ASDGMXONYKJXRZ-SGMGOOAPSA-N 2 1 308.388 2.542 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000181916546 426994945 /nfs/dbraw/zinc/99/49/45/426994945.db2.gz NCMUVXNJRDKVNU-INIZCTEOSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000181916546 426994951 /nfs/dbraw/zinc/99/49/51/426994951.db2.gz NCMUVXNJRDKVNU-INIZCTEOSA-N 2 1 310.482 2.916 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCCC(=O)OC(C)(C)C)CC1 ZINC000181849164 426987046 /nfs/dbraw/zinc/98/70/46/426987046.db2.gz DYWOUZLZDGSCNN-UHFFFAOYSA-N 2 1 321.465 2.797 20 0 DFADMP CN(Cc1ccc(-c2cnn(C)c2)s1)C[C@H]1CCC[N@@H+](C)C1 ZINC000282846177 426927451 /nfs/dbraw/zinc/92/74/51/426927451.db2.gz SEVFSNYUPZCABJ-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+](C)C[C@H]3CCC[NH+](C)C3)s2)cn1 ZINC000282846177 426927456 /nfs/dbraw/zinc/92/74/56/426927456.db2.gz SEVFSNYUPZCABJ-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C)C[C@H]3CCC[NH+](C)C3)s2)cn1 ZINC000282846177 426927465 /nfs/dbraw/zinc/92/74/65/426927465.db2.gz SEVFSNYUPZCABJ-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP Cn1cc(-c2ccc(C[NH+](C)C[C@H]3CCC[N@H+](C)C3)s2)cn1 ZINC000282846177 426927469 /nfs/dbraw/zinc/92/74/69/426927469.db2.gz SEVFSNYUPZCABJ-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP Cc1ccc(-c2noc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000315506932 426937616 /nfs/dbraw/zinc/93/76/16/426937616.db2.gz YXKFOYNOSVBGKE-AWEZNQCLSA-N 2 1 300.406 2.606 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC[N@@H+]1C ZINC000181327072 426939436 /nfs/dbraw/zinc/93/94/36/426939436.db2.gz PGIGKFMQWWARTO-DGCLKSJQSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC[N@H+]1C ZINC000181327072 426939443 /nfs/dbraw/zinc/93/94/43/426939443.db2.gz PGIGKFMQWWARTO-DGCLKSJQSA-N 2 1 317.355 2.552 20 0 DFADMP Cc1cccc(NC[C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000268563080 427055477 /nfs/dbraw/zinc/05/54/77/427055477.db2.gz POHGNDKYBAEOSN-QZTJIDSGSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000268563080 427055482 /nfs/dbraw/zinc/05/54/82/427055482.db2.gz POHGNDKYBAEOSN-QZTJIDSGSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000268563080 427055487 /nfs/dbraw/zinc/05/54/87/427055487.db2.gz POHGNDKYBAEOSN-QZTJIDSGSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ncc(Br)s1 ZINC000337949973 427056390 /nfs/dbraw/zinc/05/63/90/427056390.db2.gz JCSGKGVLGYIVQO-UHFFFAOYSA-N 2 1 315.240 2.590 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)CC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248864369 427056564 /nfs/dbraw/zinc/05/65/64/427056564.db2.gz ASDGMXONYKJXRZ-SCRDCRAPSA-N 2 1 308.388 2.542 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000329166438 427058255 /nfs/dbraw/zinc/05/82/55/427058255.db2.gz HZZWUVXBBKZTEU-MBNYWOFBSA-N 2 1 303.406 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000329166438 427058259 /nfs/dbraw/zinc/05/82/59/427058259.db2.gz HZZWUVXBBKZTEU-MBNYWOFBSA-N 2 1 303.406 2.800 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H](C[NH+](C)C)C2)cc1F ZINC000248901361 427060888 /nfs/dbraw/zinc/06/08/88/427060888.db2.gz XAMPAJWHTRDVGC-HOCLYGCPSA-N 2 1 308.441 2.896 20 0 DFADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248406184 426995761 /nfs/dbraw/zinc/99/57/61/426995761.db2.gz BRGYAFVFNIOCQH-MTQWCTHYSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCCC[C@@H]1c1ncc[nH]1 ZINC000328792008 426998519 /nfs/dbraw/zinc/99/85/19/426998519.db2.gz RFDTXIIOURXVFN-HUUCEWRRSA-N 2 1 304.438 2.728 20 0 DFADMP C[C@@H]1CC[NH+](CC2(C[N@@H+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@H]1C ZINC000248420089 426999478 /nfs/dbraw/zinc/99/94/78/426999478.db2.gz LMOSDEHIBGPUCS-USTZCAOPSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]1CC[N@@H+](CC2(C[NH+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@H]1C ZINC000248420089 426999483 /nfs/dbraw/zinc/99/94/83/426999483.db2.gz LMOSDEHIBGPUCS-USTZCAOPSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]1CC[N@H+](CC2(C[NH+]3CC[C@H](C)[C@@H](C)C3)COC2)C[C@H]1C ZINC000248420089 426999488 /nfs/dbraw/zinc/99/94/88/426999488.db2.gz LMOSDEHIBGPUCS-USTZCAOPSA-N 2 1 308.510 2.959 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248604777 427018494 /nfs/dbraw/zinc/01/84/94/427018494.db2.gz WAIISMHJPDLFNN-JYJNAYRXSA-N 2 1 309.498 2.534 20 0 DFADMP CCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248604777 427018500 /nfs/dbraw/zinc/01/85/00/427018500.db2.gz WAIISMHJPDLFNN-JYJNAYRXSA-N 2 1 309.498 2.534 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000182144740 427020200 /nfs/dbraw/zinc/02/02/00/427020200.db2.gz ICPZAOHLRWQBEJ-INIZCTEOSA-N 2 1 321.465 2.652 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248617726 427021157 /nfs/dbraw/zinc/02/11/57/427021157.db2.gz ZKTBVMFSBJNWJX-JYJNAYRXSA-N 2 1 323.525 2.922 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248617726 427021160 /nfs/dbraw/zinc/02/11/60/427021160.db2.gz ZKTBVMFSBJNWJX-JYJNAYRXSA-N 2 1 323.525 2.922 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CCCc2nc(Cl)ccc21)CN1CCCCC1 ZINC000296001642 427041323 /nfs/dbraw/zinc/04/13/23/427041323.db2.gz OHEJLSNQVMPWIB-DZGCQCFKSA-N 2 1 323.868 2.549 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000248840695 427050583 /nfs/dbraw/zinc/05/05/83/427050583.db2.gz QOVIURSKKAFCCC-OALUTQOASA-N 2 1 324.509 2.974 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000248840695 427050588 /nfs/dbraw/zinc/05/05/88/427050588.db2.gz QOVIURSKKAFCCC-OALUTQOASA-N 2 1 324.509 2.974 20 0 DFADMP C[C@H]([NH2+]CCO[C@H]1CCCCO1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248839218 427051628 /nfs/dbraw/zinc/05/16/28/427051628.db2.gz PUPZGXHCTZFKON-JZXOWHBKSA-N 2 1 310.482 2.772 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000248999726 427074125 /nfs/dbraw/zinc/07/41/25/427074125.db2.gz IGFWWKGRKATDMT-XOKHGSTOSA-N 2 1 310.388 2.869 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]C[C@H](C)Cc2ccc(OC)c(F)c2)C1 ZINC000249033382 427077644 /nfs/dbraw/zinc/07/76/44/427077644.db2.gz SWNQQFWCTOPUPB-ZBFHGGJFSA-N 2 1 308.441 2.944 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CCC2)C1 ZINC000338009045 427090428 /nfs/dbraw/zinc/09/04/28/427090428.db2.gz FQGZXNMINWQAEW-VAMGGRTRSA-N 2 1 314.473 2.922 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH2+]1 ZINC000292107177 427090546 /nfs/dbraw/zinc/09/05/46/427090546.db2.gz OZTUUZGYGUOHAC-GOSISDBHSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000249201981 427097826 /nfs/dbraw/zinc/09/78/26/427097826.db2.gz UEHWKYUYKDTUNW-RDJZCZTQSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@H](C)O1 ZINC000296264834 427129354 /nfs/dbraw/zinc/12/93/54/427129354.db2.gz DKXSWEXKVKULTG-GJYPPUQNSA-N 2 1 302.462 2.849 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000268718060 427101128 /nfs/dbraw/zinc/10/11/28/427101128.db2.gz JSTTVPKYFFAWEJ-CQSZACIVSA-N 2 1 306.450 2.977 20 0 DFADMP O=C(C=Cc1c[nH]cn1)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000276574768 427104626 /nfs/dbraw/zinc/10/46/26/427104626.db2.gz KTJCQRGSLZTTFI-BBVFFXRHSA-N 2 1 324.428 2.594 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000249319644 427106877 /nfs/dbraw/zinc/10/68/77/427106877.db2.gz PVHPHNNCYTUWBV-SAKMYQHLSA-N 2 1 319.493 2.616 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)[NH+](C)C)c1 ZINC000249319644 427106886 /nfs/dbraw/zinc/10/68/86/427106886.db2.gz PVHPHNNCYTUWBV-SAKMYQHLSA-N 2 1 319.493 2.616 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)c1 ZINC000249319644 427106890 /nfs/dbraw/zinc/10/68/90/427106890.db2.gz PVHPHNNCYTUWBV-SAKMYQHLSA-N 2 1 319.493 2.616 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(O)c1 ZINC000249606596 427134467 /nfs/dbraw/zinc/13/44/67/427134467.db2.gz RIWOLJXUPCDYAR-OWCLPIDISA-N 2 1 306.450 2.932 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000268876757 427137452 /nfs/dbraw/zinc/13/74/52/427137452.db2.gz IYVWDGMMYJXDNR-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000268876757 427137459 /nfs/dbraw/zinc/13/74/59/427137459.db2.gz IYVWDGMMYJXDNR-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000268876757 427137467 /nfs/dbraw/zinc/13/74/67/427137467.db2.gz IYVWDGMMYJXDNR-BWPNAZKDSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1F ZINC000268929653 427137522 /nfs/dbraw/zinc/13/75/22/427137522.db2.gz QIZKNDCRPYBYOJ-ZFWWWQNUSA-N 2 1 312.404 2.852 20 0 DFADMP C[C@@H]1[C@H]([N@H+](C)CCO)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000292236683 427142070 /nfs/dbraw/zinc/14/20/70/427142070.db2.gz JGQZVHKSDLEMSH-MLGOLLRUSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H]1[C@H]([N@@H+](C)CCO)CCN1c1cc[nH+]c2cc(Cl)ccc21 ZINC000292236683 427142073 /nfs/dbraw/zinc/14/20/73/427142073.db2.gz JGQZVHKSDLEMSH-MLGOLLRUSA-N 2 1 319.836 2.780 20 0 DFADMP COc1nccc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1 ZINC000296335631 427150423 /nfs/dbraw/zinc/15/04/23/427150423.db2.gz IARSKJLVJDBSRG-UHFFFAOYSA-N 2 1 314.433 2.615 20 0 DFADMP COc1nccc(C[NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)n1 ZINC000296335631 427150430 /nfs/dbraw/zinc/15/04/30/427150430.db2.gz IARSKJLVJDBSRG-UHFFFAOYSA-N 2 1 314.433 2.615 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2CCN(CCc3ccccn3)CC2)O1 ZINC000190648627 427152099 /nfs/dbraw/zinc/15/20/99/427152099.db2.gz VHZDSQLIXNTJQK-VQIMIIECSA-N 2 1 317.477 2.588 20 0 DFADMP Cn1nccc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000284206225 427153516 /nfs/dbraw/zinc/15/35/16/427153516.db2.gz SLEFNZRVEBWZCC-UHFFFAOYSA-N 2 1 312.461 2.953 20 0 DFADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000338143705 427157133 /nfs/dbraw/zinc/15/71/33/427157133.db2.gz NRQOPHQZZXRCOA-OOXMNIKJSA-N 2 1 308.853 2.790 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccn(C)c3)CC2)oc1C ZINC000125403639 271029006 /nfs/dbraw/zinc/02/90/06/271029006.db2.gz ZDKQYHVHUYEHII-UHFFFAOYSA-N 2 1 316.449 2.632 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C(C)C)cc1)C1CC1 ZINC000158266348 271074260 /nfs/dbraw/zinc/07/42/60/271074260.db2.gz UNSAGVCNUYGBNP-IBGZPJMESA-N 2 1 317.477 2.774 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCc2ccccc2C1 ZINC000237153576 271245999 /nfs/dbraw/zinc/24/59/99/271245999.db2.gz FYSHZCZAFAOBCD-HNNXBMFYSA-N 2 1 323.440 2.791 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C(C)(C)C[NH3+])cc2)C1 ZINC000237503177 271249359 /nfs/dbraw/zinc/24/93/59/271249359.db2.gz KHKIPLQXCSLRLP-AWEZNQCLSA-N 2 1 303.450 2.842 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000270473614 271293237 /nfs/dbraw/zinc/29/32/37/271293237.db2.gz NKHZKRLDYKXWRN-INIZCTEOSA-N 2 1 316.445 2.622 20 0 DFADMP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303261293 271364129 /nfs/dbraw/zinc/36/41/29/271364129.db2.gz OIDPJSPQVBNXPZ-MRXNPFEDSA-N 2 1 314.477 2.689 20 0 DFADMP C[C@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303261293 271364131 /nfs/dbraw/zinc/36/41/31/271364131.db2.gz OIDPJSPQVBNXPZ-MRXNPFEDSA-N 2 1 314.477 2.689 20 0 DFADMP c1ccc(C[C@H]([NH2+]CCC[NH+]2CCCC2)c2cccnc2)nc1 ZINC000338193699 427182236 /nfs/dbraw/zinc/18/22/36/427182236.db2.gz HLTHYHZXYRTZNU-IBGZPJMESA-N 2 1 310.445 2.836 20 0 DFADMP C[N@@H+](CCCO)C1CCN(C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000190970773 427219690 /nfs/dbraw/zinc/21/96/90/427219690.db2.gz AUUMOUKANJDZTR-SFHVURJKSA-N 2 1 324.509 2.647 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2ccc(N(C)CC)nc2)CC1 ZINC000190899893 427198221 /nfs/dbraw/zinc/19/82/21/427198221.db2.gz CBWSGYVNWBBGCZ-UHFFFAOYSA-N 2 1 304.482 2.892 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338218760 427198356 /nfs/dbraw/zinc/19/83/56/427198356.db2.gz WBGLJKWQOZSQPF-QFBILLFUSA-N 2 1 310.445 2.692 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338218759 427198952 /nfs/dbraw/zinc/19/89/52/427198952.db2.gz WBGLJKWQOZSQPF-LPHOPBHVSA-N 2 1 310.445 2.692 20 0 DFADMP c1ccc([C@@H]2OCC[C@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000253336059 427199546 /nfs/dbraw/zinc/19/95/46/427199546.db2.gz HWUKPECPGOSWPY-RDGPPVDQSA-N 2 1 300.446 2.981 20 0 DFADMP CS[C@H]1CCN(C[C@H]2C[N@@H+](Cc3ccccc3)CCCO2)C1 ZINC000296507938 427202906 /nfs/dbraw/zinc/20/29/06/427202906.db2.gz ZPZMQYCIBHNVTK-MSOLQXFVSA-N 2 1 320.502 2.715 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190953421 427212927 /nfs/dbraw/zinc/21/29/27/427212927.db2.gz QXEVZZTUDHTZDJ-HNNXBMFYSA-N 2 1 309.417 2.803 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000183199731 427220721 /nfs/dbraw/zinc/22/07/21/427220721.db2.gz BSAUCOLVGGGOKL-KHYOSLBOSA-N 2 1 312.461 2.999 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H]1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000183199731 427220726 /nfs/dbraw/zinc/22/07/26/427220726.db2.gz BSAUCOLVGGGOKL-KHYOSLBOSA-N 2 1 312.461 2.999 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000338261882 427221498 /nfs/dbraw/zinc/22/14/98/427221498.db2.gz KQHNPDYTQSHALA-UHFFFAOYSA-N 2 1 307.486 2.587 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCCC(F)(F)C1 ZINC000338284018 427234956 /nfs/dbraw/zinc/23/49/56/427234956.db2.gz JBYROFVWVCECCE-JJXSEGSLSA-N 2 1 316.436 2.995 20 0 DFADMP C[N@H+]1CCC[C@H]1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000277539990 427235863 /nfs/dbraw/zinc/23/58/63/427235863.db2.gz BEQKPPFLNPEMSN-KRWDZBQOSA-N 2 1 324.428 2.919 20 0 DFADMP CN1CCC[C@H]1C(=O)Nc1cccc(-c2ncc3n2CCCC3)c1 ZINC000277539990 427235873 /nfs/dbraw/zinc/23/58/73/427235873.db2.gz BEQKPPFLNPEMSN-KRWDZBQOSA-N 2 1 324.428 2.919 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCSC(C)C)[C@@H](C)C1 ZINC000338287227 427236747 /nfs/dbraw/zinc/23/67/47/427236747.db2.gz HLOUWIYDPPZCRY-HOTGVXAUSA-N 2 1 302.528 2.855 20 0 DFADMP CN(C[C@@H](O)c1c(F)cccc1F)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285479481 427244747 /nfs/dbraw/zinc/24/47/47/427244747.db2.gz LDIIHEKXBZFVLH-TUURBPCVSA-N 2 1 310.388 2.555 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@@H+]1C ZINC000183334278 427248990 /nfs/dbraw/zinc/24/89/90/427248990.db2.gz FSWQMBSJDCJMJM-VNQPRFMTSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3ccc(Cl)cc3)C2)CC[N@H+]1C ZINC000183334278 427248999 /nfs/dbraw/zinc/24/89/99/427248999.db2.gz FSWQMBSJDCJMJM-VNQPRFMTSA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)c1ccc(Br)nc1)C[NH+](C)C ZINC000293221332 427252550 /nfs/dbraw/zinc/25/25/50/427252550.db2.gz AMYIJHRPVCNYLI-QWRGUYRKSA-N 2 1 300.244 2.692 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000277607389 427258247 /nfs/dbraw/zinc/25/82/47/427258247.db2.gz AMQJFOZIUZFCSH-MRXNPFEDSA-N 2 1 306.450 2.676 20 0 DFADMP CC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)CC2(C)C)COC1 ZINC000338327880 427262610 /nfs/dbraw/zinc/26/26/10/427262610.db2.gz OGIWABVYLJOERM-KRWDZBQOSA-N 2 1 302.462 2.913 20 0 DFADMP CC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)CC2(C)C)COC1 ZINC000338327880 427262618 /nfs/dbraw/zinc/26/26/18/427262618.db2.gz OGIWABVYLJOERM-KRWDZBQOSA-N 2 1 302.462 2.913 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000338367556 427281581 /nfs/dbraw/zinc/28/15/81/427281581.db2.gz UICGCBOHBQJZNS-LJQANCHMSA-N 2 1 304.478 2.788 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H]2CCOC2=O)cc1 ZINC000183687038 427320226 /nfs/dbraw/zinc/32/02/26/427320226.db2.gz HROSSZGZIWMWHT-BBRMVZONSA-N 2 1 313.401 2.785 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744921 427325678 /nfs/dbraw/zinc/32/56/78/427325678.db2.gz RIZZBIQRGBBLIU-ZBFHGGJFSA-N 2 1 320.477 2.875 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000270351393 427328861 /nfs/dbraw/zinc/32/88/61/427328861.db2.gz WIVBKHFFTSAEEC-KXBFYZLASA-N 2 1 315.461 2.847 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000270351393 427328869 /nfs/dbraw/zinc/32/88/69/427328869.db2.gz WIVBKHFFTSAEEC-KXBFYZLASA-N 2 1 315.461 2.847 20 0 DFADMP Cc1cc(NC(=O)N2CCC[C@@H]([NH+](C)C)CC2)cn2cc[nH+]c12 ZINC000297116306 427334648 /nfs/dbraw/zinc/33/46/48/427334648.db2.gz XLQDLKULTGKVNJ-OAHLLOKOSA-N 2 1 315.421 2.591 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000285788870 427337892 /nfs/dbraw/zinc/33/78/92/427337892.db2.gz XHQUEWYVRIQBEW-OAHLLOKOSA-N 2 1 322.412 2.585 20 0 DFADMP COCCSCCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000285798055 427341091 /nfs/dbraw/zinc/34/10/91/427341091.db2.gz VDHWEQYGKXYDEN-UHFFFAOYSA-N 2 1 314.495 2.803 20 0 DFADMP Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261987145 427347939 /nfs/dbraw/zinc/34/79/39/427347939.db2.gz SFMMIAYIJHOGTF-BRWVUGGUSA-N 2 1 308.853 2.629 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293519315 427350411 /nfs/dbraw/zinc/35/04/11/427350411.db2.gz UGFZDAXQIVJSAP-CABCVRRESA-N 2 1 315.461 2.523 20 0 DFADMP CC(C)c1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH3+])cc1 ZINC000262076817 427350837 /nfs/dbraw/zinc/35/08/37/427350837.db2.gz SSFSQJDYZSYKCS-GOSISDBHSA-N 2 1 317.477 2.630 20 0 DFADMP CC[C@](C)(O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285612297 427289373 /nfs/dbraw/zinc/28/93/73/427289373.db2.gz QECQLIYQQNESFL-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@](C)(O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285612297 427289379 /nfs/dbraw/zinc/28/93/79/427289379.db2.gz QECQLIYQQNESFL-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@](C)(O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285612297 427289384 /nfs/dbraw/zinc/28/93/84/427289384.db2.gz QECQLIYQQNESFL-OALUTQOASA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000296989987 427296586 /nfs/dbraw/zinc/29/65/86/427296586.db2.gz ZLYWHSVUPFJOBX-OHQAAIJDSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000296989987 427296589 /nfs/dbraw/zinc/29/65/89/427296589.db2.gz ZLYWHSVUPFJOBX-OHQAAIJDSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000296989987 427296595 /nfs/dbraw/zinc/29/65/95/427296595.db2.gz ZLYWHSVUPFJOBX-OHQAAIJDSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000296989987 427296598 /nfs/dbraw/zinc/29/65/98/427296598.db2.gz ZLYWHSVUPFJOBX-OHQAAIJDSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@H](C)[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000296989987 427296604 /nfs/dbraw/zinc/29/66/04/427296604.db2.gz ZLYWHSVUPFJOBX-OHQAAIJDSA-N 2 1 302.462 2.708 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@H](O)Cc1ccccc1 ZINC000191520331 427370790 /nfs/dbraw/zinc/37/07/90/427370790.db2.gz AODDJABDIWZWGY-GOSISDBHSA-N 2 1 315.461 2.761 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@H](O)Cc1ccccc1 ZINC000191520331 427370799 /nfs/dbraw/zinc/37/07/99/427370799.db2.gz AODDJABDIWZWGY-GOSISDBHSA-N 2 1 315.461 2.761 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000297259410 427376555 /nfs/dbraw/zinc/37/65/55/427376555.db2.gz JWICAZZTSRLHMV-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000297259410 427376564 /nfs/dbraw/zinc/37/65/64/427376564.db2.gz JWICAZZTSRLHMV-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP COc1cc(CN(CC[C@@H]2CCC[N@H+]2C)C2CC2)ccc1O ZINC000271033109 427378851 /nfs/dbraw/zinc/37/88/51/427378851.db2.gz QXVCCGWZLVECEA-HNNXBMFYSA-N 2 1 304.434 2.850 20 0 DFADMP COc1cc(C[N@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)ccc1O ZINC000271033109 427378857 /nfs/dbraw/zinc/37/88/57/427378857.db2.gz QXVCCGWZLVECEA-HNNXBMFYSA-N 2 1 304.434 2.850 20 0 DFADMP COc1cc(C[N@@H+](CC[C@@H]2CCC[NH+]2C)C2CC2)ccc1O ZINC000271033109 427378860 /nfs/dbraw/zinc/37/88/60/427378860.db2.gz QXVCCGWZLVECEA-HNNXBMFYSA-N 2 1 304.434 2.850 20 0 DFADMP COc1cc(C[NH+](CC[C@@H]2CCC[N@@H+]2C)C2CC2)ccc1O ZINC000271033109 427378865 /nfs/dbraw/zinc/37/88/65/427378865.db2.gz QXVCCGWZLVECEA-HNNXBMFYSA-N 2 1 304.434 2.850 20 0 DFADMP COc1cc(C[NH+](CC[C@@H]2CCC[N@H+]2C)C2CC2)ccc1O ZINC000271033109 427378871 /nfs/dbraw/zinc/37/88/71/427378871.db2.gz QXVCCGWZLVECEA-HNNXBMFYSA-N 2 1 304.434 2.850 20 0 DFADMP FCCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286000169 427398661 /nfs/dbraw/zinc/39/86/61/427398661.db2.gz OURXZROSXJZLSU-IBGZPJMESA-N 2 1 319.468 2.628 20 0 DFADMP COC(=O)[C@H](C)[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC1 ZINC000191648034 427398985 /nfs/dbraw/zinc/39/89/85/427398985.db2.gz RNEYNLVEPBCEFB-AWEZNQCLSA-N 2 1 313.401 2.788 20 0 DFADMP CO[C@@H](C)[C@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000191648668 427399525 /nfs/dbraw/zinc/39/95/25/427399525.db2.gz AMPUIAFLVSKGJW-GJZGRUSLSA-N 2 1 308.441 2.846 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000263055791 427403675 /nfs/dbraw/zinc/40/36/75/427403675.db2.gz UYYVFJWOROMVFR-RVKKMQEKSA-N 2 1 309.498 2.521 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1 ZINC000293728294 427417569 /nfs/dbraw/zinc/41/75/69/427417569.db2.gz KLDRGFVLLXLWLG-MRXNPFEDSA-N 2 1 319.493 2.846 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@@H](C)[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191462678 427355873 /nfs/dbraw/zinc/35/58/73/427355873.db2.gz CEDKHAJYSHOWLA-SJORKVTESA-N 2 1 311.514 2.735 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCC[NH+](CC)CC)C1 ZINC000191466585 427355905 /nfs/dbraw/zinc/35/59/05/427355905.db2.gz QFEJUXUCNTYKHK-SJORKVTESA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000286073573 427418056 /nfs/dbraw/zinc/41/80/56/427418056.db2.gz LERCVDCGDRRSTO-XGXHKWSGSA-N 2 1 302.462 2.648 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000191489853 427362089 /nfs/dbraw/zinc/36/20/89/427362089.db2.gz FWPALVAGSXJFLN-HKUYNNGSSA-N 2 1 313.445 2.816 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000191489853 427362098 /nfs/dbraw/zinc/36/20/98/427362098.db2.gz FWPALVAGSXJFLN-HKUYNNGSSA-N 2 1 313.445 2.816 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H]1Cc2ccccc2[C@@H]1O ZINC000191489853 427362107 /nfs/dbraw/zinc/36/21/07/427362107.db2.gz FWPALVAGSXJFLN-HKUYNNGSSA-N 2 1 313.445 2.816 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000262675492 427366247 /nfs/dbraw/zinc/36/62/47/427366247.db2.gz RRDZCLMARPOORL-SOLBZPMBSA-N 2 1 317.477 2.513 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000278834990 427468819 /nfs/dbraw/zinc/46/88/19/427468819.db2.gz UIOALWFDAGGGAV-RYUDHWBXSA-N 2 1 305.378 2.558 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000192093998 427479761 /nfs/dbraw/zinc/47/97/61/427479761.db2.gz VPJFXNZMYINOOU-SOUVJXGZSA-N 2 1 303.450 2.840 20 0 DFADMP CC[C@H](C)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286086328 427422118 /nfs/dbraw/zinc/42/21/18/427422118.db2.gz SPDVDIPHJWXIFX-AZUAARDMSA-N 2 1 315.505 2.925 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000293762861 427428890 /nfs/dbraw/zinc/42/88/90/427428890.db2.gz PDPIDYPFJBRLSN-APWZRJJASA-N 2 1 312.461 2.834 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000297714272 427436053 /nfs/dbraw/zinc/43/60/53/427436053.db2.gz RFUAXUWWFSASGY-QGZVFWFLSA-N 3 1 324.472 2.841 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000338686310 427438024 /nfs/dbraw/zinc/43/80/24/427438024.db2.gz FPWQJIMEXASJKL-MSOLQXFVSA-N 2 1 316.445 2.852 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297723069 427438206 /nfs/dbraw/zinc/43/82/06/427438206.db2.gz RXQMWRNKZAUCNP-LJQANCHMSA-N 3 1 316.493 2.760 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297723069 427438211 /nfs/dbraw/zinc/43/82/11/427438211.db2.gz RXQMWRNKZAUCNP-LJQANCHMSA-N 3 1 316.493 2.760 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000338784487 427487629 /nfs/dbraw/zinc/48/76/29/427487629.db2.gz KPXZOENPLOTOPK-TXEJJXNPSA-N 2 1 303.381 2.911 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000338784487 427487633 /nfs/dbraw/zinc/48/76/33/427487633.db2.gz KPXZOENPLOTOPK-TXEJJXNPSA-N 2 1 303.381 2.911 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCCOc3ccccc32)CCCO1 ZINC000278608228 427446009 /nfs/dbraw/zinc/44/60/09/427446009.db2.gz RDRJGBHNUZBNMH-AEFFLSMTSA-N 2 1 318.461 2.991 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000263250069 427446277 /nfs/dbraw/zinc/44/62/77/427446277.db2.gz JGZDRLSGBONASK-GOSISDBHSA-N 2 1 305.466 2.661 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000293972774 427508507 /nfs/dbraw/zinc/50/85/07/427508507.db2.gz QWQYBDKDEXLMNG-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP Cn1cncc1CC[N@H+]1CC[C@@H](Oc2ccc(Cl)cc2)C1 ZINC000298109779 427521285 /nfs/dbraw/zinc/52/12/85/427521285.db2.gz OEKOPJHFDDSLKG-MRXNPFEDSA-N 2 1 305.809 2.769 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)CC[S@@](C)=O)cc1 ZINC000271422966 427530894 /nfs/dbraw/zinc/53/08/94/427530894.db2.gz AUINACUPCICRRK-ALLJEULLSA-N 2 1 319.474 2.988 20 0 DFADMP O[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1cc(F)cc(Cl)c1 ZINC000298203390 427533209 /nfs/dbraw/zinc/53/32/09/427533209.db2.gz YFGBVPFDSHPGRT-INIZCTEOSA-N 2 1 312.816 2.729 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCCNC1CC[NH+](C3CC3)CC1)C2 ZINC000298218883 427537330 /nfs/dbraw/zinc/53/73/30/427537330.db2.gz AFKLQZPIKUPBML-UHFFFAOYSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H]([NH+]4CCCCC4)C3)C2)cc1 ZINC000271437396 427539398 /nfs/dbraw/zinc/53/93/98/427539398.db2.gz RCASYOLNUQGKCW-VQTJNVASSA-N 2 1 313.489 2.821 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H]2CCOC[C@H]2C)CC1 ZINC000192481451 427547387 /nfs/dbraw/zinc/54/73/87/427547387.db2.gz CHMKALKOOKDRSM-VQIMIIECSA-N 2 1 302.462 2.974 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279069721 427548786 /nfs/dbraw/zinc/54/87/86/427548786.db2.gz FYYHXSPACVWCJA-OAHLLOKOSA-N 2 1 309.417 2.803 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CCOC[C@@H]2C)cc1F ZINC000192504168 427553478 /nfs/dbraw/zinc/55/34/78/427553478.db2.gz RHQMBVOAYTWHCI-BLLLJJGKSA-N 2 1 303.381 2.834 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000185229757 427616811 /nfs/dbraw/zinc/61/68/11/427616811.db2.gz OKTYGWBQLLMTNZ-MRXNPFEDSA-N 2 1 319.449 2.703 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]C2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC000294314329 427620843 /nfs/dbraw/zinc/62/08/43/427620843.db2.gz WCQDRHXTOKVQAB-UZLBHIALSA-N 2 1 313.489 2.866 20 0 DFADMP CC[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008965 427621282 /nfs/dbraw/zinc/62/12/82/427621282.db2.gz DOGLRPMVCKUDJR-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@@H](O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008965 427621288 /nfs/dbraw/zinc/62/12/88/427621288.db2.gz DOGLRPMVCKUDJR-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP CCc1ccc(C[N@@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)nc1 ZINC000339009832 427622107 /nfs/dbraw/zinc/62/21/07/427622107.db2.gz KQLCAKCBLVGFSJ-GOSISDBHSA-N 2 1 305.466 2.577 20 0 DFADMP COc1ccc(COCCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000298282822 427559681 /nfs/dbraw/zinc/55/96/81/427559681.db2.gz GWWYUTDKZASKOG-UHFFFAOYSA-N 2 1 318.461 2.818 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000192604986 427571932 /nfs/dbraw/zinc/57/19/32/427571932.db2.gz CMVNUIPNJMVEES-ALOPSCKCSA-N 3 1 312.461 2.950 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)N2C ZINC000192604986 427571937 /nfs/dbraw/zinc/57/19/37/427571937.db2.gz CMVNUIPNJMVEES-ALOPSCKCSA-N 3 1 312.461 2.950 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000271826873 427588225 /nfs/dbraw/zinc/58/82/25/427588225.db2.gz DKSJBUKCGPMRJL-UHFFFAOYSA-N 2 1 302.418 2.580 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000271865932 427592661 /nfs/dbraw/zinc/59/26/61/427592661.db2.gz LLEQZWALNBWPFF-PXNSSMCTSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271865932 427592671 /nfs/dbraw/zinc/59/26/71/427592671.db2.gz LLEQZWALNBWPFF-PXNSSMCTSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271865932 427592675 /nfs/dbraw/zinc/59/26/75/427592675.db2.gz LLEQZWALNBWPFF-PXNSSMCTSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271865932 427592690 /nfs/dbraw/zinc/59/26/90/427592690.db2.gz LLEQZWALNBWPFF-PXNSSMCTSA-N 2 1 313.489 2.749 20 0 DFADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287393863 427598063 /nfs/dbraw/zinc/59/80/63/427598063.db2.gz QIVKEDSLQSFNET-QFBILLFUSA-N 2 1 301.478 2.723 20 0 DFADMP CC(C)Oc1cccc([C@@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192876504 427626960 /nfs/dbraw/zinc/62/69/60/427626960.db2.gz IGEVWRFRBLVUAR-PHSGOXPASA-N 2 1 318.461 2.722 20 0 DFADMP CC[N@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000339031528 427638164 /nfs/dbraw/zinc/63/81/64/427638164.db2.gz JVRIJGBDXBNUOD-QGZVFWFLSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1)C(C)C ZINC000339031528 427638169 /nfs/dbraw/zinc/63/81/69/427638169.db2.gz JVRIJGBDXBNUOD-QGZVFWFLSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCCC[NH+](C)C(C)C)c1ccccc1 ZINC000264026472 427638460 /nfs/dbraw/zinc/63/84/60/427638460.db2.gz LLYZTMCGJTTXTR-KRWDZBQOSA-N 2 1 305.466 2.526 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCCC[N@H+](C)C(C)C)c1ccccc1 ZINC000264026472 427638466 /nfs/dbraw/zinc/63/84/66/427638466.db2.gz LLYZTMCGJTTXTR-KRWDZBQOSA-N 2 1 305.466 2.526 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000264026472 427638473 /nfs/dbraw/zinc/63/84/73/427638473.db2.gz LLYZTMCGJTTXTR-KRWDZBQOSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn3cccnc3n2)C1 ZINC000298561912 427647235 /nfs/dbraw/zinc/64/72/35/427647235.db2.gz WBEQGSCKYCEUMY-IYBDPMFKSA-N 2 1 315.465 2.577 20 0 DFADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000264085053 427653281 /nfs/dbraw/zinc/65/32/81/427653281.db2.gz IRAJMRLSMKRYCY-UHFFFAOYSA-N 2 1 317.477 2.696 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](CC)CC2)cc1 ZINC000264085053 427653288 /nfs/dbraw/zinc/65/32/88/427653288.db2.gz IRAJMRLSMKRYCY-UHFFFAOYSA-N 2 1 317.477 2.696 20 0 DFADMP CC[C@H](C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1)[NH+]1CCCC1 ZINC000287658149 427662438 /nfs/dbraw/zinc/66/24/38/427662438.db2.gz LPBTWUHJMVOWPA-DOTOQJQBSA-N 2 1 313.449 2.792 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@@H](Oc2ccccc2)C1(C)C ZINC000342624296 272032072 /nfs/dbraw/zinc/03/20/72/272032072.db2.gz IGVISWCMYWXMNW-QZTJIDSGSA-N 2 1 320.477 2.790 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000343032863 272077072 /nfs/dbraw/zinc/07/70/72/272077072.db2.gz IBLCFBLBMMQEEV-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[N@@H+](CC)C[C@H]1C ZINC000343032863 272077075 /nfs/dbraw/zinc/07/70/75/272077075.db2.gz IBLCFBLBMMQEEV-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[N@H+](CC)C[C@@H]1C ZINC000343032861 272077625 /nfs/dbraw/zinc/07/76/25/272077625.db2.gz IBLCFBLBMMQEEV-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CN[C@@H]1C[N@@H+](CC)C[C@@H]1C ZINC000343032861 272077626 /nfs/dbraw/zinc/07/76/26/272077626.db2.gz IBLCFBLBMMQEEV-QFBILLFUSA-N 2 1 303.494 2.958 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cc(F)cc(Cl)c1 ZINC000279435566 427671576 /nfs/dbraw/zinc/67/15/76/427671576.db2.gz HAFHBCOKSMBOSX-OWCLPIDISA-N 2 1 312.816 2.729 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cc(F)cc(Cl)c1 ZINC000279435566 427671578 /nfs/dbraw/zinc/67/15/78/427671578.db2.gz HAFHBCOKSMBOSX-OWCLPIDISA-N 2 1 312.816 2.729 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(Cl)cs1 ZINC000193097183 427666385 /nfs/dbraw/zinc/66/63/85/427666385.db2.gz HTFMNGMMGAYAJM-CYBMUJFWSA-N 2 1 302.871 2.728 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1sccc1Cl ZINC000193097135 427667167 /nfs/dbraw/zinc/66/71/67/427667167.db2.gz RJPQAVCOROYBIP-LBPRGKRZSA-N 2 1 302.871 2.728 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)[C@@H](C)C1 ZINC000279452343 427676818 /nfs/dbraw/zinc/67/68/18/427676818.db2.gz IHNPHLRIZBKAAO-KNXALSJPSA-N 2 1 314.832 2.832 20 0 DFADMP C[N@H+](CCCc1ccc2c(c1)CCO2)CCC[NH+]1CCCC1 ZINC000343600972 272180634 /nfs/dbraw/zinc/18/06/34/272180634.db2.gz IXWPHJFUYHQJCN-UHFFFAOYSA-N 2 1 302.462 2.972 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCc2ccc(Cl)cc21 ZINC000343752780 272212323 /nfs/dbraw/zinc/21/23/23/272212323.db2.gz RURAXWKFWMQQDH-SFHVURJKSA-N 2 1 321.896 2.897 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000343833506 272228273 /nfs/dbraw/zinc/22/82/73/272228273.db2.gz ORKGLSOEYDNTSK-AEFFLSMTSA-N 2 1 302.462 2.543 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000343833506 272228274 /nfs/dbraw/zinc/22/82/74/272228274.db2.gz ORKGLSOEYDNTSK-AEFFLSMTSA-N 2 1 302.462 2.543 20 0 DFADMP CC(C)(C)[C@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000343937905 272240396 /nfs/dbraw/zinc/24/03/96/272240396.db2.gz KZQLWOVJTRKNCO-QUCCMNQESA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000343937905 272240398 /nfs/dbraw/zinc/24/03/98/272240398.db2.gz KZQLWOVJTRKNCO-QUCCMNQESA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000343937905 272240400 /nfs/dbraw/zinc/24/04/00/272240400.db2.gz KZQLWOVJTRKNCO-QUCCMNQESA-N 2 1 316.489 2.991 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc(Cl)c(F)c1)CC[NH+](C)C ZINC000344023611 272250453 /nfs/dbraw/zinc/25/04/53/272250453.db2.gz AZWJRDMZUMMYFA-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCCCC2 ZINC000344029247 272251624 /nfs/dbraw/zinc/25/16/24/272251624.db2.gz BQGQAEASCSICDR-DLBZAZTESA-N 2 1 312.498 2.672 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000344107682 272264956 /nfs/dbraw/zinc/26/49/56/272264956.db2.gz WFUQTQVIGPYKOG-RRQGHBQHSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000344107682 272264958 /nfs/dbraw/zinc/26/49/58/272264958.db2.gz WFUQTQVIGPYKOG-RRQGHBQHSA-N 2 1 304.434 2.839 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cccc(C)c1 ZINC000344149818 272274627 /nfs/dbraw/zinc/27/46/27/272274627.db2.gz RXKDIWVCLUANGU-UHFFFAOYSA-N 2 1 303.494 2.845 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccco1 ZINC000344165472 272278319 /nfs/dbraw/zinc/27/83/19/272278319.db2.gz ZGPVXWWRIOLJCT-ARFHVFGLSA-N 2 1 321.465 2.509 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C[C@H]2C)C1 ZINC000344278128 272302887 /nfs/dbraw/zinc/30/28/87/272302887.db2.gz XBYXBEBOHFIPCO-FPAYPSAMSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C1 ZINC000344278128 272302888 /nfs/dbraw/zinc/30/28/88/272302888.db2.gz XBYXBEBOHFIPCO-FPAYPSAMSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C1 ZINC000344278128 272302891 /nfs/dbraw/zinc/30/28/91/272302891.db2.gz XBYXBEBOHFIPCO-FPAYPSAMSA-N 2 1 301.478 2.752 20 0 DFADMP Cc1ccccc1C[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000344516904 272332776 /nfs/dbraw/zinc/33/27/76/272332776.db2.gz GGESMVRTCQEHBA-FQEVSTJZSA-N 2 1 310.441 2.722 20 0 DFADMP Cc1ccccc1C[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000344516904 272332778 /nfs/dbraw/zinc/33/27/78/272332778.db2.gz GGESMVRTCQEHBA-FQEVSTJZSA-N 2 1 310.441 2.722 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344551528 272337543 /nfs/dbraw/zinc/33/75/43/272337543.db2.gz RWKPIEFLRDESCW-QRQLOZEOSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344551528 272337545 /nfs/dbraw/zinc/33/75/45/272337545.db2.gz RWKPIEFLRDESCW-QRQLOZEOSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344551524 272337620 /nfs/dbraw/zinc/33/76/20/272337620.db2.gz RWKPIEFLRDESCW-BHIYHBOVSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344551524 272337621 /nfs/dbraw/zinc/33/76/21/272337621.db2.gz RWKPIEFLRDESCW-BHIYHBOVSA-N 2 1 302.462 2.792 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000344662693 272353589 /nfs/dbraw/zinc/35/35/89/272353589.db2.gz KFVCWYUIEZAZRK-DLBZAZTESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000279471937 427681919 /nfs/dbraw/zinc/68/19/19/427681919.db2.gz JZYHSFZTHMKZGH-KMUNFCNLSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000279471937 427681924 /nfs/dbraw/zinc/68/19/24/427681924.db2.gz JZYHSFZTHMKZGH-KMUNFCNLSA-N 2 1 300.805 2.585 20 0 DFADMP COc1ncccc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000193354344 427687379 /nfs/dbraw/zinc/68/73/79/427687379.db2.gz STTIYMFGPYRHNG-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(CO)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272258534 427688311 /nfs/dbraw/zinc/68/83/11/427688311.db2.gz ZPIGJIVQURMIFE-RDJZCZTQSA-N 2 1 314.429 2.772 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(CO)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272258534 427688315 /nfs/dbraw/zinc/68/83/15/427688315.db2.gz ZPIGJIVQURMIFE-RDJZCZTQSA-N 2 1 314.429 2.772 20 0 DFADMP CCn1nccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272257372 427688834 /nfs/dbraw/zinc/68/88/34/427688834.db2.gz ZJMUNZNKVKEIRR-SJLPKXTDSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272257372 427688850 /nfs/dbraw/zinc/68/88/50/427688850.db2.gz ZJMUNZNKVKEIRR-SJLPKXTDSA-N 2 1 312.461 2.903 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)c1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185678192 427689798 /nfs/dbraw/zinc/68/97/98/427689798.db2.gz XZELOUXRFLMRIM-IEZWGBDMSA-N 2 1 302.462 2.963 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)C12CCOCC2 ZINC000333854559 427699295 /nfs/dbraw/zinc/69/92/95/427699295.db2.gz QQARBIBRVMTWSV-XLAORIBOSA-N 2 1 316.445 2.695 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)C12CCOCC2 ZINC000333854563 427699357 /nfs/dbraw/zinc/69/93/57/427699357.db2.gz QQARBIBRVMTWSV-ZJPYXAASSA-N 2 1 316.445 2.695 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287836265 427700086 /nfs/dbraw/zinc/70/00/86/427700086.db2.gz QIMXIGJLXKXFRQ-QGZVFWFLSA-N 2 1 321.852 2.770 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)Cc1cccc(Cl)c1 ZINC000287836265 427700090 /nfs/dbraw/zinc/70/00/90/427700090.db2.gz QIMXIGJLXKXFRQ-QGZVFWFLSA-N 2 1 321.852 2.770 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000339180679 427719681 /nfs/dbraw/zinc/71/96/81/427719681.db2.gz DDTCBMOHXLXLNH-YESZJQIVSA-N 2 1 322.493 2.962 20 0 DFADMP NC(=O)c1ccc(C[N@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000299153809 427755925 /nfs/dbraw/zinc/75/59/25/427755925.db2.gz ZMDGYWBUURDLQR-UHFFFAOYSA-N 2 1 315.461 2.626 20 0 DFADMP NC(=O)c1ccc(C[N@@H+](CCC[NH+]2CCCCC2)C2CC2)cc1 ZINC000299153809 427755927 /nfs/dbraw/zinc/75/59/27/427755927.db2.gz ZMDGYWBUURDLQR-UHFFFAOYSA-N 2 1 315.461 2.626 20 0 DFADMP [NH3+]C1CC[NH+](CCCc2nc(-c3ccccc3Cl)no2)CC1 ZINC000339358936 427759111 /nfs/dbraw/zinc/75/91/11/427759111.db2.gz OQAPYKUROHQFJS-UHFFFAOYSA-N 2 1 320.824 2.746 20 0 DFADMP Cc1nccn1CC[N@@H+]1CCC[C@@H](C[NH+]2CCC(C)CC2)C1 ZINC000336856186 427761425 /nfs/dbraw/zinc/76/14/25/427761425.db2.gz KWCLSKHWBGOCHD-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000336865722 427767047 /nfs/dbraw/zinc/76/70/47/427767047.db2.gz LGOQDKKHZLAFAE-FYSCAJFOSA-N 2 1 306.494 2.636 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000336865722 427767049 /nfs/dbraw/zinc/76/70/49/427767049.db2.gz LGOQDKKHZLAFAE-FYSCAJFOSA-N 2 1 306.494 2.636 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2cc(-c3ccccc3)on2)CC1 ZINC000336868645 427767389 /nfs/dbraw/zinc/76/73/89/427767389.db2.gz VIJUVBWYEKOBIG-UHFFFAOYSA-N 2 1 315.417 2.671 20 0 DFADMP Cc1ccc(CCC[N@H+]2C[C@@H](C[NH3+])[C@@H](c3ccccc3)C2)cn1 ZINC000339406881 427769221 /nfs/dbraw/zinc/76/92/21/427769221.db2.gz GZVHKZMOQWSACR-WOJBJXKFSA-N 2 1 309.457 2.997 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336872926 427769756 /nfs/dbraw/zinc/76/97/56/427769756.db2.gz RMWJJOVSZWBBIT-MSOLQXFVSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C[C@H]1c1ccc(F)cc1 ZINC000336872926 427769757 /nfs/dbraw/zinc/76/97/57/427769757.db2.gz RMWJJOVSZWBBIT-MSOLQXFVSA-N 2 1 317.408 2.919 20 0 DFADMP CCN(CCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2)CC(F)(F)F ZINC000339427686 427773183 /nfs/dbraw/zinc/77/31/83/427773183.db2.gz JGNAOOPJYNZONK-HNNXBMFYSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(CCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2)CC(F)(F)F ZINC000339427686 427773184 /nfs/dbraw/zinc/77/31/84/427773184.db2.gz JGNAOOPJYNZONK-HNNXBMFYSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(CCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2)CC(F)(F)F ZINC000339427686 427773186 /nfs/dbraw/zinc/77/31/86/427773186.db2.gz JGNAOOPJYNZONK-HNNXBMFYSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(C(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000339433419 427774406 /nfs/dbraw/zinc/77/44/06/427774406.db2.gz KVNVJCRJEVGHES-LJQANCHMSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000339435999 427775321 /nfs/dbraw/zinc/77/53/21/427775321.db2.gz AFMUJHGGWAZZNV-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000339435999 427775323 /nfs/dbraw/zinc/77/53/23/427775323.db2.gz AFMUJHGGWAZZNV-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000339435999 427775326 /nfs/dbraw/zinc/77/53/26/427775326.db2.gz AFMUJHGGWAZZNV-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000339439573 427775780 /nfs/dbraw/zinc/77/57/80/427775780.db2.gz XAKCBIWQGXEAPY-BRWVUGGUSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H](C(=O)NC[C@H](C)[NH+](CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000339439045 427775992 /nfs/dbraw/zinc/77/59/92/427775992.db2.gz RFIVRVZKAAWZDZ-WMZOPIPTSA-N 2 1 319.493 2.744 20 0 DFADMP c1cc2c(nc[nH+]c2NCc2ccc(C[NH+]3CCCCC3)cc2)[nH]1 ZINC000339243119 427738517 /nfs/dbraw/zinc/73/85/17/427738517.db2.gz WJPVJXURHHWTHA-UHFFFAOYSA-N 2 1 321.428 3.556 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCOC1 ZINC000336656112 427745774 /nfs/dbraw/zinc/74/57/74/427745774.db2.gz KQHWMTLLADATQW-CJSSEVFESA-N 2 1 314.473 2.912 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCOC1 ZINC000336656117 427746182 /nfs/dbraw/zinc/74/61/82/427746182.db2.gz KQHWMTLLADATQW-FAJAVTLNSA-N 2 1 314.473 2.912 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](O)C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657503 427746707 /nfs/dbraw/zinc/74/67/07/427746707.db2.gz SAAGRGNFMNHMDF-HPBDAGMYSA-N 2 1 302.462 2.646 20 0 DFADMP c1ccc(C[NH+]2CC[C@H]3C[N@H+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000336696229 427749628 /nfs/dbraw/zinc/74/96/28/427749628.db2.gz ARVVFCCILZWWEH-VQTJNVASSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000336696229 427749632 /nfs/dbraw/zinc/74/96/32/427749632.db2.gz ARVVFCCILZWWEH-VQTJNVASSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]3C[NH+](CC4CCOCC4)C[C@H]3C2)cc1 ZINC000336696229 427749635 /nfs/dbraw/zinc/74/96/35/427749635.db2.gz ARVVFCCILZWWEH-VQTJNVASSA-N 2 1 314.473 2.867 20 0 DFADMP CN(CC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336723942 427751072 /nfs/dbraw/zinc/75/10/72/427751072.db2.gz WUPFTHYFSAOJLY-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000336725085 427751113 /nfs/dbraw/zinc/75/11/13/427751113.db2.gz XPTKUZJYYSPYDE-QRVBRYPASA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(CN(C)c2cc[nH+]c3ccsc32)CC1 ZINC000301403223 427793685 /nfs/dbraw/zinc/79/36/85/427793685.db2.gz KBGXNIPVGPIFEB-CYBMUJFWSA-N 2 1 319.474 2.825 20 0 DFADMP CC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1C[C@@H](C)O ZINC000301406592 427795025 /nfs/dbraw/zinc/79/50/25/427795025.db2.gz MFAMZHPOMIIOAW-UKRRQHHQSA-N 2 1 317.408 2.655 20 0 DFADMP CC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1C[C@@H](C)O ZINC000301406592 427795027 /nfs/dbraw/zinc/79/50/27/427795027.db2.gz MFAMZHPOMIIOAW-UKRRQHHQSA-N 2 1 317.408 2.655 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000345745832 272532382 /nfs/dbraw/zinc/53/23/82/272532382.db2.gz ATFSPKUUVRFTFF-SFNKJDCFSA-N 2 1 323.525 2.768 20 0 DFADMP OC(C[NH+]1CC[C@H](CC2CC2)C1)C[N@H+]1CC[C@H](CC2CC2)C1 ZINC000339675106 427810155 /nfs/dbraw/zinc/81/01/55/427810155.db2.gz CCMUGFYTVXNGNO-QZTJIDSGSA-N 2 1 306.494 2.591 20 0 DFADMP OC(C[NH+]1CC[C@@H](CC2CC2)C1)C[N@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675109 427810332 /nfs/dbraw/zinc/81/03/32/427810332.db2.gz CCMUGFYTVXNGNO-ROUUACIJSA-N 2 1 306.494 2.591 20 0 DFADMP CCSc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000339685718 427811707 /nfs/dbraw/zinc/81/17/07/427811707.db2.gz GGZJVCUPCCRCSJ-GDBMZVCRSA-N 2 1 308.491 2.906 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnn2C(C)C)[C@@H](C)C1 ZINC000337206604 427815609 /nfs/dbraw/zinc/81/56/09/427815609.db2.gz MWGMLPJLUMUYKR-WMZOPIPTSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnn2C(C)C)[C@@H](C)C1 ZINC000337206604 427815610 /nfs/dbraw/zinc/81/56/10/427815610.db2.gz MWGMLPJLUMUYKR-WMZOPIPTSA-N 2 1 322.497 2.691 20 0 DFADMP C[N@@H+](CCCOc1ccc2c(c1)OCO2)CCC[NH+]1CCCC1 ZINC000337272701 427828916 /nfs/dbraw/zinc/82/89/16/427828916.db2.gz OPWDMFOPQTTWDZ-UHFFFAOYSA-N 2 1 320.433 2.602 20 0 DFADMP CCC[C@@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337288023 427831535 /nfs/dbraw/zinc/83/15/35/427831535.db2.gz AMFWCOJNUNIKJH-ZACQAIPSSA-N 2 1 312.498 2.765 20 0 DFADMP CCC[C@@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337288023 427831537 /nfs/dbraw/zinc/83/15/37/427831537.db2.gz AMFWCOJNUNIKJH-ZACQAIPSSA-N 2 1 312.498 2.765 20 0 DFADMP CC[C@H](C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+](CC)CC ZINC000340377577 427833783 /nfs/dbraw/zinc/83/37/83/427833783.db2.gz UMESBHRFFYIYAX-KSZLIROESA-N 2 1 317.477 2.668 20 0 DFADMP CCC[N@@H+](C)CC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000345673537 427854066 /nfs/dbraw/zinc/85/40/66/427854066.db2.gz HUKSBATVQFWROP-HNNXBMFYSA-N 2 1 305.466 2.574 20 0 DFADMP CCCCOc1ccc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359473692 427866608 /nfs/dbraw/zinc/86/66/08/427866608.db2.gz NTDDRIRUFBVYMC-IYBDPMFKSA-N 2 1 304.434 2.525 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000359473692 427866612 /nfs/dbraw/zinc/86/66/12/427866612.db2.gz NTDDRIRUFBVYMC-IYBDPMFKSA-N 2 1 304.434 2.525 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC1 ZINC000349816593 427872037 /nfs/dbraw/zinc/87/20/37/427872037.db2.gz NVMGHDKIGLJDSR-UHFFFAOYSA-N 2 1 313.449 2.572 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2CCc3ccccc3C2)CC1 ZINC000359587545 427925475 /nfs/dbraw/zinc/92/54/75/427925475.db2.gz FCILMUGATARLKM-IRXDYDNUSA-N 2 1 316.489 2.569 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](CC)CCOC)CC1 ZINC000349852646 427879727 /nfs/dbraw/zinc/87/97/27/427879727.db2.gz FMWJENSAOIEYDA-UHFFFAOYSA-N 2 1 319.493 2.687 20 0 DFADMP Cc1cccc(NCc2ccccc2C[N@@H+]2CCC[C@H]2CO)[nH+]1 ZINC000302869700 427882325 /nfs/dbraw/zinc/88/23/25/427882325.db2.gz BALKWBHVSOKADZ-SFHVURJKSA-N 2 1 311.429 2.959 20 0 DFADMP Cc1cccc(NCc2ccccc2C[N@H+]2CCC[C@H]2CO)[nH+]1 ZINC000302869700 427882329 /nfs/dbraw/zinc/88/23/29/427882329.db2.gz BALKWBHVSOKADZ-SFHVURJKSA-N 2 1 311.429 2.959 20 0 DFADMP CC[C@@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000337414330 427894499 /nfs/dbraw/zinc/89/44/99/427894499.db2.gz SIBICTWTRAKHNO-SFHVURJKSA-N 2 1 317.477 2.624 20 0 DFADMP Cc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)nn1C ZINC000337438849 427905560 /nfs/dbraw/zinc/90/55/60/427905560.db2.gz LBRVLSQWDNHNIV-OAHLLOKOSA-N 2 1 313.449 2.641 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359577101 427919328 /nfs/dbraw/zinc/91/93/28/427919328.db2.gz GEGMJMOBJBZSNN-MRXNPFEDSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCCN(CC(C)(C)C)C1=O ZINC000359577101 427919335 /nfs/dbraw/zinc/91/93/35/427919335.db2.gz GEGMJMOBJBZSNN-MRXNPFEDSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1nn(C)c(C)c1CN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340216864 427955463 /nfs/dbraw/zinc/95/54/63/427955463.db2.gz FEZVJQXTKADEAE-IEBWSBKVSA-N 2 1 312.461 2.962 20 0 DFADMP CC(C)[NH+](CCN(C)C(=O)CC[C@@H]1CCCC[N@H+]1C)C(C)C ZINC000355940658 427956642 /nfs/dbraw/zinc/95/66/42/427956642.db2.gz YUZPAFZOFYLJQZ-KRWDZBQOSA-N 2 1 311.514 2.828 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)[C@@H]1Oc1ccccc1 ZINC000359660901 427960578 /nfs/dbraw/zinc/96/05/78/427960578.db2.gz MMEWTQYUGRGFCM-KANFNMMFSA-N 2 1 318.461 2.543 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCC23CCCC3)CC1 ZINC000340235769 427963429 /nfs/dbraw/zinc/96/34/29/427963429.db2.gz MBFYROBALILVIL-GOSISDBHSA-N 2 1 307.526 2.963 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340245399 427965785 /nfs/dbraw/zinc/96/57/85/427965785.db2.gz ALMBLJZHHDTHJN-QMCVQRASSA-N 2 1 308.491 2.524 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340245399 427965790 /nfs/dbraw/zinc/96/57/90/427965790.db2.gz ALMBLJZHHDTHJN-QMCVQRASSA-N 2 1 308.491 2.524 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1c1ccccc1 ZINC000340259334 427967846 /nfs/dbraw/zinc/96/78/46/427967846.db2.gz PXZOLHJDJVYESZ-QXCFHYIPSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](O)C2)C[C@@H]1c1ccccc1 ZINC000340259334 427967851 /nfs/dbraw/zinc/96/78/51/427967851.db2.gz PXZOLHJDJVYESZ-QXCFHYIPSA-N 2 1 302.462 2.963 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000346983333 272706651 /nfs/dbraw/zinc/70/66/51/272706651.db2.gz PQMLCZPINISVQN-ZBFHGGJFSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)CC[N@H+]1C ZINC000340262694 427969398 /nfs/dbraw/zinc/96/93/98/427969398.db2.gz ZVHDSLNOBZWRGE-NXWXRZEISA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000340262694 427969406 /nfs/dbraw/zinc/96/94/06/427969406.db2.gz ZVHDSLNOBZWRGE-NXWXRZEISA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC[NH+]1C ZINC000340262694 427969412 /nfs/dbraw/zinc/96/94/12/427969412.db2.gz ZVHDSLNOBZWRGE-NXWXRZEISA-N 2 1 301.478 2.894 20 0 DFADMP CC1CC[NH+](CC2CCN(c3[nH+]cnc4[nH]ccc43)CC2)CC1 ZINC000376726027 427987330 /nfs/dbraw/zinc/98/73/30/427987330.db2.gz MXOWUHPSGJCGRE-UHFFFAOYSA-N 2 1 313.449 2.906 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350064362 427930471 /nfs/dbraw/zinc/93/04/71/427930471.db2.gz HAHNXVTZEDXFNB-HNNXBMFYSA-N 2 1 309.498 2.676 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCCCO ZINC000304418226 427936669 /nfs/dbraw/zinc/93/66/69/427936669.db2.gz DZFZUGFSRDZHRS-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCCCO ZINC000304418226 427936672 /nfs/dbraw/zinc/93/66/72/427936672.db2.gz DZFZUGFSRDZHRS-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCCCCO ZINC000304418226 427936679 /nfs/dbraw/zinc/93/66/79/427936679.db2.gz DZFZUGFSRDZHRS-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCCCCO ZINC000304418226 427936682 /nfs/dbraw/zinc/93/66/82/427936682.db2.gz DZFZUGFSRDZHRS-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCCCCO ZINC000304418226 427936686 /nfs/dbraw/zinc/93/66/86/427936686.db2.gz DZFZUGFSRDZHRS-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000304528119 427938014 /nfs/dbraw/zinc/93/80/14/427938014.db2.gz MHPDJFNCHLCGHR-APWZRJJASA-N 2 1 320.452 2.975 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000304528119 427938019 /nfs/dbraw/zinc/93/80/19/427938019.db2.gz MHPDJFNCHLCGHR-APWZRJJASA-N 2 1 320.452 2.975 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@@H](Oc4ccncc4)C3)C2)cc1 ZINC000355903959 427941637 /nfs/dbraw/zinc/94/16/37/427941637.db2.gz INNRBVSJCGXWFO-UYAOXDASSA-N 2 1 323.440 2.809 20 0 DFADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000345889073 427941684 /nfs/dbraw/zinc/94/16/84/427941684.db2.gz QCKRLAMUXOQAKI-ZWKOTPCHSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN3CCCO[C@H](C)C3)sc2C1 ZINC000346148244 428037762 /nfs/dbraw/zinc/03/77/62/428037762.db2.gz KARMFONEXSNOGW-CYBMUJFWSA-N 2 1 309.479 2.520 20 0 DFADMP CC(C)N1CCc2nc(CN3CCCO[C@H](C)C3)sc2C1 ZINC000346148244 428037766 /nfs/dbraw/zinc/03/77/66/428037766.db2.gz KARMFONEXSNOGW-CYBMUJFWSA-N 2 1 309.479 2.520 20 0 DFADMP c1cnc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000369757465 428053463 /nfs/dbraw/zinc/05/34/63/428053463.db2.gz MQJWKWWEPDTPLX-IAGOWNOFSA-N 2 1 324.428 2.985 20 0 DFADMP c1cnc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)cc2)cn1 ZINC000369757465 428053465 /nfs/dbraw/zinc/05/34/65/428053465.db2.gz MQJWKWWEPDTPLX-IAGOWNOFSA-N 2 1 324.428 2.985 20 0 DFADMP C[C@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369767853 428057132 /nfs/dbraw/zinc/05/71/32/428057132.db2.gz UWYJDVFHZKYBDF-ULXJXQFFSA-N 2 1 313.489 2.658 20 0 DFADMP C[C@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000369767853 428057135 /nfs/dbraw/zinc/05/71/35/428057135.db2.gz UWYJDVFHZKYBDF-ULXJXQFFSA-N 2 1 313.489 2.658 20 0 DFADMP COc1cc2[nH+]ccc(N[C@@H]3CCC[N@@H+](C)[C@H]3C)c2cc1OC ZINC000413233379 427998101 /nfs/dbraw/zinc/99/81/01/427998101.db2.gz DFIJDQHLSFGCLA-GXTWGEPZSA-N 2 1 315.417 2.569 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000341189035 428006811 /nfs/dbraw/zinc/00/68/11/428006811.db2.gz NMRPYYVEPAYGAS-HUUCEWRRSA-N 2 1 303.454 2.826 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1 ZINC000369610278 428015552 /nfs/dbraw/zinc/01/55/52/428015552.db2.gz ZSBWTHWNKFZYDZ-OIISXLGYSA-N 2 1 315.465 2.877 20 0 DFADMP OC[C@H]1C=C[C@@H](N[C@@H]2C[C@@H](C3CC3)[N@H+](Cc3ccccc3)C2)C1 ZINC000376892445 428020029 /nfs/dbraw/zinc/02/00/29/428020029.db2.gz NNTCIVHLZRWDOG-NBYUQASBSA-N 2 1 312.457 2.566 20 0 DFADMP OC[C@H]1C=C[C@@H](N[C@@H]2C[C@@H](C3CC3)[N@@H+](Cc3ccccc3)C2)C1 ZINC000376892445 428020035 /nfs/dbraw/zinc/02/00/35/428020035.db2.gz NNTCIVHLZRWDOG-NBYUQASBSA-N 2 1 312.457 2.566 20 0 DFADMP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H](CN)C1CC1 ZINC000359904005 428070488 /nfs/dbraw/zinc/07/04/88/428070488.db2.gz STYWPNVMNXUOOS-AWEZNQCLSA-N 2 1 302.340 2.753 20 0 DFADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@@H](CN)C1CC1 ZINC000359904005 428070492 /nfs/dbraw/zinc/07/04/92/428070492.db2.gz STYWPNVMNXUOOS-AWEZNQCLSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCSCCCO ZINC000377177258 428077849 /nfs/dbraw/zinc/07/78/49/428077849.db2.gz DACQMJDUIHIONR-WMZOPIPTSA-N 2 1 322.518 2.602 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000346225521 428078245 /nfs/dbraw/zinc/07/82/45/428078245.db2.gz ULWIUZAVDIQZEE-IAGOWNOFSA-N 2 1 309.498 2.584 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC000369875870 428081584 /nfs/dbraw/zinc/08/15/84/428081584.db2.gz XGNAFJNJDPQFLZ-QGZVFWFLSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC000369875870 428081585 /nfs/dbraw/zinc/08/15/85/428081585.db2.gz XGNAFJNJDPQFLZ-QGZVFWFLSA-N 2 1 318.465 2.618 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000369883662 428084643 /nfs/dbraw/zinc/08/46/43/428084643.db2.gz UJTXVUZENBXIPD-TZMCWYRMSA-N 2 1 301.390 2.566 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)cn1 ZINC000359962197 428093242 /nfs/dbraw/zinc/09/32/42/428093242.db2.gz CQPIFOLEXORNJD-IAGOWNOFSA-N 2 1 318.509 2.995 20 0 DFADMP COC1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCCC1 ZINC000359976432 428101254 /nfs/dbraw/zinc/10/12/54/428101254.db2.gz OAKQFEQBIIZFIR-UHFFFAOYSA-N 2 1 318.461 2.568 20 0 DFADMP COc1ccc2c(c1)[C@H](N[C@H]1C[C@H](C)[N@@H+](C3CC3)C1)CCO2 ZINC000341553071 428101316 /nfs/dbraw/zinc/10/13/16/428101316.db2.gz MYORYMSOGGVVAH-GDZNZVCISA-N 2 1 302.418 2.734 20 0 DFADMP COc1ccc2c(c1)[C@H](N[C@H]1C[C@H](C)[N@H+](C3CC3)C1)CCO2 ZINC000341553071 428101322 /nfs/dbraw/zinc/10/13/22/428101322.db2.gz MYORYMSOGGVVAH-GDZNZVCISA-N 2 1 302.418 2.734 20 0 DFADMP Cc1c(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338416 428109081 /nfs/dbraw/zinc/10/90/81/428109081.db2.gz XKNZMTRHQVLVOH-QUCCMNQESA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338416 428109087 /nfs/dbraw/zinc/10/90/87/428109087.db2.gz XKNZMTRHQVLVOH-QUCCMNQESA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338416 428109092 /nfs/dbraw/zinc/10/90/92/428109092.db2.gz XKNZMTRHQVLVOH-QUCCMNQESA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338416 428109096 /nfs/dbraw/zinc/10/90/96/428109096.db2.gz XKNZMTRHQVLVOH-QUCCMNQESA-N 2 1 324.472 2.682 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351859765 428112962 /nfs/dbraw/zinc/11/29/62/428112962.db2.gz DRIUIUGFVVQWFK-JQHSSLGASA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351859765 428112971 /nfs/dbraw/zinc/11/29/71/428112971.db2.gz DRIUIUGFVVQWFK-JQHSSLGASA-N 2 1 317.477 2.559 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351863734 428113002 /nfs/dbraw/zinc/11/30/02/428113002.db2.gz UUFJXQFQOALFJM-FZCLSBEQSA-N 2 1 317.477 2.702 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351863734 428113008 /nfs/dbraw/zinc/11/30/08/428113008.db2.gz UUFJXQFQOALFJM-FZCLSBEQSA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864651 428116476 /nfs/dbraw/zinc/11/64/76/428116476.db2.gz YTBADYOSXAQKJQ-RDJZCZTQSA-N 2 1 311.429 2.830 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027744 428126264 /nfs/dbraw/zinc/12/62/64/428126264.db2.gz OEDUBXUFULEGOL-RDJZCZTQSA-N 2 1 318.461 2.805 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027744 428126268 /nfs/dbraw/zinc/12/62/68/428126268.db2.gz OEDUBXUFULEGOL-RDJZCZTQSA-N 2 1 318.461 2.805 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027744 428126273 /nfs/dbraw/zinc/12/62/73/428126273.db2.gz OEDUBXUFULEGOL-RDJZCZTQSA-N 2 1 318.461 2.805 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C[C@H]1C ZINC000346346623 428136916 /nfs/dbraw/zinc/13/69/16/428136916.db2.gz XHYPTOSUIVEJBK-IKGGRYGDSA-N 2 1 309.498 2.582 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCCC[C@@H]3CC[NH3+])cnc21 ZINC000352534339 428139848 /nfs/dbraw/zinc/13/98/48/428139848.db2.gz FOBSCUQUPLTCHD-MRXNPFEDSA-N 2 1 301.438 2.716 20 0 DFADMP [NH3+]CCC[N@H+](Cc1ccc(-n2cncn2)cc1)CC1CCCC1 ZINC000352541483 428141665 /nfs/dbraw/zinc/14/16/65/428141665.db2.gz YJFNNYCDMAVWKJ-UHFFFAOYSA-N 2 1 313.449 2.608 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000360040548 428129764 /nfs/dbraw/zinc/12/97/64/428129764.db2.gz UHYJHXGWALZUCE-UXPWSPDFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000360040548 428129770 /nfs/dbraw/zinc/12/97/70/428129770.db2.gz UHYJHXGWALZUCE-UXPWSPDFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000360040548 428129779 /nfs/dbraw/zinc/12/97/79/428129779.db2.gz UHYJHXGWALZUCE-UXPWSPDFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040548 428129782 /nfs/dbraw/zinc/12/97/82/428129782.db2.gz UHYJHXGWALZUCE-UXPWSPDFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040548 428129788 /nfs/dbraw/zinc/12/97/88/428129788.db2.gz UHYJHXGWALZUCE-UXPWSPDFSA-N 2 1 315.505 2.827 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000346387863 428150841 /nfs/dbraw/zinc/15/08/41/428150841.db2.gz OSQRMTOIHXPNMR-CRAIPNDOSA-N 2 1 317.477 2.693 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=[NH2+])Nc2ccccn2)[C@@H]1c1cccs1 ZINC000370164694 428148316 /nfs/dbraw/zinc/14/83/16/428148316.db2.gz XYOCDCFMJRRXLR-SWLSCSKDSA-N 2 1 315.446 2.772 20 0 DFADMP CCCNC(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000370167566 428148593 /nfs/dbraw/zinc/14/85/93/428148593.db2.gz QZNNQKSOFIBSSC-UKRRQHHQSA-N 2 1 308.857 2.857 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000356411531 428167314 /nfs/dbraw/zinc/16/73/14/428167314.db2.gz BTDFPEIRHQRINS-MRXNPFEDSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000356411531 428167320 /nfs/dbraw/zinc/16/73/20/428167320.db2.gz BTDFPEIRHQRINS-MRXNPFEDSA-N 2 1 318.465 2.620 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413935503 428169498 /nfs/dbraw/zinc/16/94/98/428169498.db2.gz DFDVNFFBERQLST-INIZCTEOSA-N 2 1 307.413 2.700 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413935503 428169501 /nfs/dbraw/zinc/16/95/01/428169501.db2.gz DFDVNFFBERQLST-INIZCTEOSA-N 2 1 307.413 2.700 20 0 DFADMP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360138539 428177651 /nfs/dbraw/zinc/17/76/51/428177651.db2.gz FTNOUPSNVMSOQX-RHSMWYFYSA-N 2 1 318.465 2.646 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C3CCCC3)C2)cn1 ZINC000414110574 428207413 /nfs/dbraw/zinc/20/74/13/428207413.db2.gz ICNNAIUFIPRLRD-HOCLYGCPSA-N 2 1 303.450 2.628 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C3CCCC3)C2)cn1 ZINC000414110574 428207425 /nfs/dbraw/zinc/20/74/25/428207425.db2.gz ICNNAIUFIPRLRD-HOCLYGCPSA-N 2 1 303.450 2.628 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc2C1 ZINC000352701204 428210903 /nfs/dbraw/zinc/21/09/03/428210903.db2.gz GEROWUDDGLGQKV-LJQANCHMSA-N 2 1 317.477 2.800 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc2C1 ZINC000352701204 428210906 /nfs/dbraw/zinc/21/09/06/428210906.db2.gz GEROWUDDGLGQKV-LJQANCHMSA-N 2 1 317.477 2.800 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000414124202 428211359 /nfs/dbraw/zinc/21/13/59/428211359.db2.gz PFNULSHGRKVQOZ-DOTOQJQBSA-N 2 1 305.466 2.731 20 0 DFADMP Cc1oncc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377730931 428211668 /nfs/dbraw/zinc/21/16/68/428211668.db2.gz AOJGOBCTLJZUBT-HKUYNNGSSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000377730931 428211671 /nfs/dbraw/zinc/21/16/71/428211671.db2.gz AOJGOBCTLJZUBT-HKUYNNGSSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377730931 428211677 /nfs/dbraw/zinc/21/16/77/428211677.db2.gz AOJGOBCTLJZUBT-HKUYNNGSSA-N 2 1 311.429 2.937 20 0 DFADMP Cc1oncc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000377730931 428211680 /nfs/dbraw/zinc/21/16/80/428211680.db2.gz AOJGOBCTLJZUBT-HKUYNNGSSA-N 2 1 311.429 2.937 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000414131022 428214387 /nfs/dbraw/zinc/21/43/87/428214387.db2.gz YMGKCZOAWJDQNU-LTFPLMDUSA-N 2 1 314.473 2.933 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414132389 428215338 /nfs/dbraw/zinc/21/53/38/428215338.db2.gz ZEIRAQAENYLHTQ-WBVHZDCISA-N 2 1 305.466 2.875 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414132389 428215343 /nfs/dbraw/zinc/21/53/43/428215343.db2.gz ZEIRAQAENYLHTQ-WBVHZDCISA-N 2 1 305.466 2.875 20 0 DFADMP CCSc1ccccc1[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000360241653 428220390 /nfs/dbraw/zinc/22/03/90/428220390.db2.gz KHRYOCXTBKQTFN-GJZGRUSLSA-N 2 1 308.491 2.906 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)n2)[C@@H](C)C1 ZINC000414161878 428222216 /nfs/dbraw/zinc/22/22/16/428222216.db2.gz GGFAXBUBXQPVEA-QFBILLFUSA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)n2)[C@@H](C)C1 ZINC000414161878 428222222 /nfs/dbraw/zinc/22/22/22/428222222.db2.gz GGFAXBUBXQPVEA-QFBILLFUSA-N 2 1 319.493 2.925 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCO3)CC2)oc1C ZINC000346568585 428222433 /nfs/dbraw/zinc/22/24/33/428222433.db2.gz UOBKUZGVJIQNSL-PBHICJAKSA-N 2 1 321.465 2.661 20 0 DFADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000377764857 428223183 /nfs/dbraw/zinc/22/31/83/428223183.db2.gz ZKTXPZHILCVTBK-KZNAEPCWSA-N 2 1 310.445 2.718 20 0 DFADMP Cc1cn[nH]c1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000377764857 428223187 /nfs/dbraw/zinc/22/31/87/428223187.db2.gz ZKTXPZHILCVTBK-KZNAEPCWSA-N 2 1 310.445 2.718 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000414174241 428223958 /nfs/dbraw/zinc/22/39/58/428223958.db2.gz GMDKDHQLLYCEKL-QFBILLFUSA-N 2 1 310.445 2.888 20 0 DFADMP C[NH+](C)CCOc1ccc(CCNc2cc[nH+]cc2Cl)cc1 ZINC000352746836 428229391 /nfs/dbraw/zinc/22/93/91/428229391.db2.gz BXWCACGJBIYVIR-UHFFFAOYSA-N 2 1 319.836 2.752 20 0 DFADMP C[NH+](C)Cc1cnc(CN[C@H]2CC[N@H+](CC3CCCC3)C2)s1 ZINC000352752113 428232941 /nfs/dbraw/zinc/23/29/41/428232941.db2.gz XLSCWOKKCPEEPP-HNNXBMFYSA-N 2 1 322.522 2.559 20 0 DFADMP C[NH+](C)Cc1cnc(CN[C@H]2CC[N@@H+](CC3CCCC3)C2)s1 ZINC000352752113 428232951 /nfs/dbraw/zinc/23/29/51/428232951.db2.gz XLSCWOKKCPEEPP-HNNXBMFYSA-N 2 1 322.522 2.559 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCCC3)s1 ZINC000352757604 428234914 /nfs/dbraw/zinc/23/49/14/428234914.db2.gz GCMYTGGFIVZKHE-FVQBIDKESA-N 2 1 321.490 2.642 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CS[C@@H](C)C2)[C@H](C)C1 ZINC000414230406 428237313 /nfs/dbraw/zinc/23/73/13/428237313.db2.gz NXAYREFTAUVLKZ-UGUYLWEFSA-N 2 1 300.512 2.607 20 0 DFADMP COc1cc(F)c([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000341877343 428238411 /nfs/dbraw/zinc/23/84/11/428238411.db2.gz NIDWXTXFLFNGQA-LLVKDONJSA-N 2 1 307.369 2.699 20 0 DFADMP C[N@@H+]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]2[C@H]1c1ccccc1 ZINC000377830699 428239085 /nfs/dbraw/zinc/23/90/85/428239085.db2.gz GUYHZXFIIPRVBS-DJIMGWMZSA-N 2 1 319.412 2.697 20 0 DFADMP C[N@H+]1C[C@@H]2CN(c3[nH+]cnc4[nH]ccc43)C[C@H]2[C@H]1c1ccccc1 ZINC000377830699 428239087 /nfs/dbraw/zinc/23/90/87/428239087.db2.gz GUYHZXFIIPRVBS-DJIMGWMZSA-N 2 1 319.412 2.697 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccccc1Cl)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377680556 428191675 /nfs/dbraw/zinc/19/16/75/428191675.db2.gz VTGYGDGRJLEIBS-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccccc1Cl)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377680556 428191678 /nfs/dbraw/zinc/19/16/78/428191678.db2.gz VTGYGDGRJLEIBS-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+](C)C[C@H]2CCn3ccnc3C2)cs1 ZINC000377688938 428197534 /nfs/dbraw/zinc/19/75/34/428197534.db2.gz XAQKMNBBXWRJIQ-OLZOCXBDSA-N 2 1 320.462 2.741 20 0 DFADMP CO[C@H](C)c1nc(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)cs1 ZINC000377688938 428197536 /nfs/dbraw/zinc/19/75/36/428197536.db2.gz XAQKMNBBXWRJIQ-OLZOCXBDSA-N 2 1 320.462 2.741 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1C[C@@H](OC(C)(C)C)C1(C)C ZINC000414077033 428198210 /nfs/dbraw/zinc/19/82/10/428198210.db2.gz YRYWKYTZNYRLNA-LSDHHAIUSA-N 2 1 300.487 2.527 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](OC(C)(C)C)C1(C)C ZINC000414077030 428199745 /nfs/dbraw/zinc/19/97/45/428199745.db2.gz YRYWKYTZNYRLNA-CABCVRRESA-N 2 1 300.487 2.527 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H](c2ccc(Cl)cc2)C1 ZINC000414080636 428200304 /nfs/dbraw/zinc/20/03/04/428200304.db2.gz DIZIRTQFEJKIES-USXIJHARSA-N 2 1 310.869 2.878 20 0 DFADMP Cc1nccn1CCC[N@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000360198254 428201359 /nfs/dbraw/zinc/20/13/59/428201359.db2.gz GACRFMVBXCLTBO-UHFFFAOYSA-N 2 1 315.417 2.527 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000360198254 428201366 /nfs/dbraw/zinc/20/13/66/428201366.db2.gz GACRFMVBXCLTBO-UHFFFAOYSA-N 2 1 315.417 2.527 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1ccc2c(c1)OCCO2 ZINC000360198254 428201370 /nfs/dbraw/zinc/20/13/70/428201370.db2.gz GACRFMVBXCLTBO-UHFFFAOYSA-N 2 1 315.417 2.527 20 0 DFADMP CC(C)n1cc(C[NH+]2CCC3(C[C@H]3C[N@@H+](C)C3CC3)CC2)nn1 ZINC000377703201 428203287 /nfs/dbraw/zinc/20/32/87/428203287.db2.gz WFMYHONRFGXGDU-HNNXBMFYSA-N 2 1 317.481 2.555 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000346667882 428265044 /nfs/dbraw/zinc/26/50/44/428265044.db2.gz FIMZWWJTNTZYNA-SFHVURJKSA-N 2 1 300.450 2.737 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000346667882 428265048 /nfs/dbraw/zinc/26/50/48/428265048.db2.gz FIMZWWJTNTZYNA-SFHVURJKSA-N 2 1 300.450 2.737 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000346694766 428276158 /nfs/dbraw/zinc/27/61/58/428276158.db2.gz WBLPBCKIKDYQKR-RDTXWAMCSA-N 2 1 312.461 2.717 20 0 DFADMP CC(=O)NCCc1ccc([C@@H](C)[NH2+]CCC[N@H+](C)C(C)C)cc1 ZINC000356694138 428276345 /nfs/dbraw/zinc/27/63/45/428276345.db2.gz JIQQKUVLRHTPLS-MRXNPFEDSA-N 2 1 319.493 2.746 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000346693395 428276792 /nfs/dbraw/zinc/27/67/92/428276792.db2.gz MVLHNWMAFYZWQQ-RYUDHWBXSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346693218 428277858 /nfs/dbraw/zinc/27/78/58/428277858.db2.gz LNCOTCCAZSOYLW-YPMHNXCESA-N 2 1 304.825 2.899 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c(C)c1 ZINC000370706671 428279206 /nfs/dbraw/zinc/27/92/06/428279206.db2.gz CCVVOHMTZNQXGA-AZUAARDMSA-N 2 1 315.505 2.761 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370709063 428280849 /nfs/dbraw/zinc/28/08/49/428280849.db2.gz IMGHEMABMJDVMB-VQIMIIECSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000370709063 428280853 /nfs/dbraw/zinc/28/08/53/428280853.db2.gz IMGHEMABMJDVMB-VQIMIIECSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(CN(C)C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000414388387 428281394 /nfs/dbraw/zinc/28/13/94/428281394.db2.gz LSQLQWLILONRDZ-GOSISDBHSA-N 2 1 310.445 2.739 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](c3nccn3C)C2)cc1 ZINC000370725025 428283228 /nfs/dbraw/zinc/28/32/28/428283228.db2.gz OGVWUCCPWCXRRW-HNNXBMFYSA-N 2 1 312.417 2.547 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3ccc(C)nn3)C1)CCCC2 ZINC000414426248 428292466 /nfs/dbraw/zinc/29/24/66/428292466.db2.gz BXHLASXPYVQZRX-INIZCTEOSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3ccc(C)nn3)C1)CCCC2 ZINC000414426248 428292477 /nfs/dbraw/zinc/29/24/77/428292477.db2.gz BXHLASXPYVQZRX-INIZCTEOSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000342079072 428292963 /nfs/dbraw/zinc/29/29/63/428292963.db2.gz DGXLUTFSWFKFTM-ONIAQPFYSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1C ZINC000342079072 428292967 /nfs/dbraw/zinc/29/29/67/428292967.db2.gz DGXLUTFSWFKFTM-ONIAQPFYSA-N 2 1 315.461 2.690 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000352776569 428242147 /nfs/dbraw/zinc/24/21/47/428242147.db2.gz UBLGAFGBRDWSCJ-HOTGVXAUSA-N 2 1 318.465 2.531 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1CCCc2[nH+]ccn21 ZINC000352776569 428242151 /nfs/dbraw/zinc/24/21/51/428242151.db2.gz UBLGAFGBRDWSCJ-HOTGVXAUSA-N 2 1 318.465 2.531 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356589994 428243883 /nfs/dbraw/zinc/24/38/83/428243883.db2.gz BBQZEXVZHLVEHR-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356589994 428243886 /nfs/dbraw/zinc/24/38/86/428243886.db2.gz BBQZEXVZHLVEHR-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000346631830 428248029 /nfs/dbraw/zinc/24/80/29/428248029.db2.gz COOBTBUGLNGVNG-AEFFLSMTSA-N 2 1 303.494 2.814 20 0 DFADMP C[N@@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858734 428248762 /nfs/dbraw/zinc/24/87/62/428248762.db2.gz BGBSLDFASZOZQT-CQSZACIVSA-N 2 1 301.438 2.529 20 0 DFADMP C[N@H+](Cc1cnn(C(C)(C)C)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858734 428248766 /nfs/dbraw/zinc/24/87/66/428248766.db2.gz BGBSLDFASZOZQT-CQSZACIVSA-N 2 1 301.438 2.529 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(N2CC[NH+](C3CCCC3)CC2)n1 ZINC000370607436 428252472 /nfs/dbraw/zinc/25/24/72/428252472.db2.gz BLCTXZTUBNMLQK-UHFFFAOYSA-N 2 1 311.433 2.640 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000346651327 428257303 /nfs/dbraw/zinc/25/73/03/428257303.db2.gz HGLWZPFXLVWSBY-CQSZACIVSA-N 2 1 306.479 2.954 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cccc2c1OC(F)(F)O2 ZINC000414326869 428259796 /nfs/dbraw/zinc/25/97/96/428259796.db2.gz MATWCRULSAKWGF-LLVKDONJSA-N 2 1 323.343 2.939 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633944 428260293 /nfs/dbraw/zinc/26/02/93/428260293.db2.gz JKKPHZHHPVLDCC-PXNSSMCTSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633944 428260295 /nfs/dbraw/zinc/26/02/95/428260295.db2.gz JKKPHZHHPVLDCC-PXNSSMCTSA-N 2 1 315.505 2.828 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346657935 428262008 /nfs/dbraw/zinc/26/20/08/428262008.db2.gz HJIVXFWWQAQTQX-UHFFFAOYSA-N 2 1 314.477 2.965 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346657935 428262011 /nfs/dbraw/zinc/26/20/11/428262011.db2.gz HJIVXFWWQAQTQX-UHFFFAOYSA-N 2 1 314.477 2.965 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342120359 428307891 /nfs/dbraw/zinc/30/78/91/428307891.db2.gz HYROBYAXHJRZSF-OXXUSNJHSA-N 2 1 315.461 2.635 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000342120359 428307895 /nfs/dbraw/zinc/30/78/95/428307895.db2.gz HYROBYAXHJRZSF-OXXUSNJHSA-N 2 1 315.461 2.635 20 0 DFADMP C[C@@H](C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000370909754 428316972 /nfs/dbraw/zinc/31/69/72/428316972.db2.gz VKOFDANSSPGWMW-NCOADZHNSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000370909754 428316978 /nfs/dbraw/zinc/31/69/78/428316978.db2.gz VKOFDANSSPGWMW-NCOADZHNSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000370909754 428316984 /nfs/dbraw/zinc/31/69/84/428316984.db2.gz VKOFDANSSPGWMW-NCOADZHNSA-N 2 1 321.509 2.723 20 0 DFADMP COC(=O)[C@@H]1CCCCCC[C@@H]1[NH2+]CCCn1cc[nH+]c1C ZINC000360485166 428317596 /nfs/dbraw/zinc/31/75/96/428317596.db2.gz STILZJRQTIOWIN-CVEARBPZSA-N 2 1 307.438 2.683 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(C4CC4)nc4sccn34)C[C@H]21 ZINC000346813289 428326772 /nfs/dbraw/zinc/32/67/72/428326772.db2.gz AMLNEUVMBZIWHW-BFHYXJOUSA-N 2 1 316.474 2.832 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000356835043 428329594 /nfs/dbraw/zinc/32/95/94/428329594.db2.gz BEUWFLRUBHNECS-INIZCTEOSA-N 2 1 307.507 2.740 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000356835043 428329600 /nfs/dbraw/zinc/32/96/00/428329600.db2.gz BEUWFLRUBHNECS-INIZCTEOSA-N 2 1 307.507 2.740 20 0 DFADMP C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000356838360 428331474 /nfs/dbraw/zinc/33/14/74/428331474.db2.gz ILTDXSOJMQTPKJ-AFYVEPGGSA-N 2 1 314.473 2.648 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346824913 428331884 /nfs/dbraw/zinc/33/18/84/428331884.db2.gz CZBINFMAGZLQIT-HRCADAONSA-N 2 1 304.434 2.653 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@@H]2C)c(SC)cc1OC ZINC000346832571 428336992 /nfs/dbraw/zinc/33/69/92/428336992.db2.gz LMEBZHQPNRDEON-NWDGAFQWSA-N 2 1 310.463 2.595 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCc3ccccn3)C[C@H]12 ZINC000346850601 428344426 /nfs/dbraw/zinc/34/44/26/428344426.db2.gz UTBNJAIPKQBPPF-AYOQOUSVSA-N 2 1 323.440 2.830 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)ccc1OC(C)C ZINC000346852304 428344816 /nfs/dbraw/zinc/34/48/16/428344816.db2.gz KOKDFMDYBRKKOB-ARFHVFGLSA-N 2 1 304.434 2.652 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346852274 428344967 /nfs/dbraw/zinc/34/49/67/428344967.db2.gz KNARLSOVASGQML-GUTXKFCHSA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346852274 428344974 /nfs/dbraw/zinc/34/49/74/428344974.db2.gz KNARLSOVASGQML-GUTXKFCHSA-N 2 1 324.852 2.916 20 0 DFADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1C[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000346852474 428345058 /nfs/dbraw/zinc/34/50/58/428345058.db2.gz RREIUBRDAFQSSR-GDBMZVCRSA-N 2 1 302.418 2.594 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1OCC(C)C ZINC000346855624 428346762 /nfs/dbraw/zinc/34/67/62/428346762.db2.gz UYZUNPCKFWVYHC-GVDBMIGSSA-N 2 1 318.461 2.899 20 0 DFADMP Cc1ccc(C(=O)C2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000346855691 428346832 /nfs/dbraw/zinc/34/68/32/428346832.db2.gz VFWHOTASDBVQJP-MRXNPFEDSA-N 2 1 300.446 2.889 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000346856840 428348481 /nfs/dbraw/zinc/34/84/81/428348481.db2.gz PRXWJCCCDPNLJX-AEGPPILISA-N 2 1 308.495 2.549 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)CC(=O)Nc2cccnc2Cl)CC1 ZINC000159256381 273650030 /nfs/dbraw/zinc/65/00/30/273650030.db2.gz ZMEGSMCOMRPFDT-GFCCVEGCSA-N 2 1 324.856 2.526 20 0 DFADMP CC[C@H](F)CN1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352894796 428302441 /nfs/dbraw/zinc/30/24/41/428302441.db2.gz VOJIECSMVPXPJI-RBUKOAKNSA-N 2 1 319.468 2.627 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000414728106 428388827 /nfs/dbraw/zinc/38/88/27/428388827.db2.gz CADXRCGJVLKTDR-CVEARBPZSA-N 2 1 303.450 2.711 20 0 DFADMP CC(C)C[C@H]([NH3+])C[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000414728106 428388832 /nfs/dbraw/zinc/38/88/32/428388832.db2.gz CADXRCGJVLKTDR-CVEARBPZSA-N 2 1 303.450 2.711 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104499 428390522 /nfs/dbraw/zinc/39/05/22/428390522.db2.gz LDRTYEDBKVEKHW-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OC ZINC000357104499 428390526 /nfs/dbraw/zinc/39/05/26/428390526.db2.gz LDRTYEDBKVEKHW-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414735029 428391059 /nfs/dbraw/zinc/39/10/59/428391059.db2.gz BVCZDKCXCJTDSF-RDJZCZTQSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C(=O)Nc3ccccc3)C2)CC[NH2+]1 ZINC000414743318 428391617 /nfs/dbraw/zinc/39/16/17/428391617.db2.gz VBMUOQKTBVFAFF-IKGGRYGDSA-N 2 1 315.461 2.725 20 0 DFADMP CCOC(=O)[C@@H]1C[N@@H+](C[C@@H]2CC[NH2+][C@H](C)C2)Cc2ccccc21 ZINC000414748304 428393479 /nfs/dbraw/zinc/39/34/79/428393479.db2.gz NXOHZULDJUVMNC-IIDMSEBBSA-N 2 1 316.445 2.537 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCCCCC[NH+]1CCCC1 ZINC000357118776 428396147 /nfs/dbraw/zinc/39/61/47/428396147.db2.gz IYQNVFGPIWLAHS-UHFFFAOYSA-N 2 1 320.481 2.779 20 0 DFADMP FC(F)(F)c1ncc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)s1 ZINC000414764384 428396942 /nfs/dbraw/zinc/39/69/42/428396942.db2.gz DGXJQWJSEANNKF-AOOOYVTPSA-N 2 1 305.369 2.593 20 0 DFADMP CC(C)C[C@H]([NH3+])CN1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000414765489 428397481 /nfs/dbraw/zinc/39/74/81/428397481.db2.gz ZXIFLTBHCVBHFK-INIZCTEOSA-N 2 1 304.482 2.772 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000346995495 428399083 /nfs/dbraw/zinc/39/90/83/428399083.db2.gz WNRJXUXIWFEONT-KRWDZBQOSA-N 2 1 308.441 2.801 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684758 428399131 /nfs/dbraw/zinc/39/91/31/428399131.db2.gz GXSKPQZDIQHBGZ-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684758 428399137 /nfs/dbraw/zinc/39/91/37/428399137.db2.gz GXSKPQZDIQHBGZ-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684758 428399143 /nfs/dbraw/zinc/39/91/43/428399143.db2.gz GXSKPQZDIQHBGZ-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684758 428399147 /nfs/dbraw/zinc/39/91/47/428399147.db2.gz GXSKPQZDIQHBGZ-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@]2(C1)OCc1ccccc12 ZINC000360684758 428399154 /nfs/dbraw/zinc/39/91/54/428399154.db2.gz GXSKPQZDIQHBGZ-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000346995301 428400006 /nfs/dbraw/zinc/40/00/06/428400006.db2.gz BFBFFSCPFKXPTE-NHYWBVRUSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000346995301 428400013 /nfs/dbraw/zinc/40/00/13/428400013.db2.gz BFBFFSCPFKXPTE-NHYWBVRUSA-N 2 1 304.825 2.899 20 0 DFADMP CC(C)Oc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000414774690 428400190 /nfs/dbraw/zinc/40/01/90/428400190.db2.gz FTFUWGXSXVFXGX-KRWDZBQOSA-N 2 1 318.461 2.661 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cn1 ZINC000414773625 428401908 /nfs/dbraw/zinc/40/19/08/428401908.db2.gz DQBOIRYDEGGWKF-MSOLQXFVSA-N 2 1 316.493 2.748 20 0 DFADMP CC(C)([NH3+])CN1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000346998927 428401998 /nfs/dbraw/zinc/40/19/98/428401998.db2.gz YMQNIQSUQNONAV-ROUUACIJSA-N 2 1 301.478 2.710 20 0 DFADMP Clc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)n2c1 ZINC000414772636 428402133 /nfs/dbraw/zinc/40/21/33/428402133.db2.gz CHSQZDDZFZMYND-ZIAGYGMSSA-N 2 1 318.852 2.809 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)o1 ZINC000414776709 428403220 /nfs/dbraw/zinc/40/32/20/428403220.db2.gz HNFYDPFMRQBGSS-CABCVRRESA-N 2 1 314.433 2.800 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414775731 428405162 /nfs/dbraw/zinc/40/51/62/428405162.db2.gz GNJODKHCVHQSNP-ROUUACIJSA-N 2 1 310.445 2.694 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000353151814 428406331 /nfs/dbraw/zinc/40/63/31/428406331.db2.gz LVZXIHVCMBDMRX-GOSISDBHSA-N 2 1 317.477 2.994 20 0 DFADMP Cc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1C ZINC000414783970 428406831 /nfs/dbraw/zinc/40/68/31/428406831.db2.gz ICPCCXQIWSQVEC-SFHVURJKSA-N 2 1 302.462 2.799 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000360706606 428407703 /nfs/dbraw/zinc/40/77/03/428407703.db2.gz BEVUUBUCVSQMOF-GOEBONIOSA-N 2 1 318.461 2.665 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC12CCOCC2 ZINC000414783542 428408262 /nfs/dbraw/zinc/40/82/62/428408262.db2.gz QATCYVYYCYPAAK-GOSISDBHSA-N 2 1 300.446 2.751 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414786690 428409124 /nfs/dbraw/zinc/40/91/24/428409124.db2.gz UTBATBKSSCSWEW-CABCVRRESA-N 2 1 304.434 2.525 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)ccc1OCC(C)C ZINC000347031208 428412186 /nfs/dbraw/zinc/41/21/86/428412186.db2.gz YKIZSRDLKOKYTM-MRXNPFEDSA-N 2 1 306.450 2.901 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H](C[NH3+])C2)ccc1OCC(C)C ZINC000347031208 428412194 /nfs/dbraw/zinc/41/21/94/428412194.db2.gz YKIZSRDLKOKYTM-MRXNPFEDSA-N 2 1 306.450 2.901 20 0 DFADMP CCC[C@@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371092658 428356992 /nfs/dbraw/zinc/35/69/92/428356992.db2.gz GGWDTEWIDKZLBO-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1F ZINC000346909392 428367368 /nfs/dbraw/zinc/36/73/68/428367368.db2.gz GMYMXTYGPBIKLD-QRTARXTBSA-N 2 1 306.425 2.697 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3[NH2+]CCC[C@H]3C2)cc1F ZINC000346909392 428367373 /nfs/dbraw/zinc/36/73/73/428367373.db2.gz GMYMXTYGPBIKLD-QRTARXTBSA-N 2 1 306.425 2.697 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000414664612 428368004 /nfs/dbraw/zinc/36/80/04/428368004.db2.gz CYRDRAJQPHJUOW-JBLDHEPKSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)s1 ZINC000414664612 428368008 /nfs/dbraw/zinc/36/80/08/428368008.db2.gz CYRDRAJQPHJUOW-JBLDHEPKSA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000414663841 428368468 /nfs/dbraw/zinc/36/84/68/428368468.db2.gz RWHZRUUTSQGUIZ-UWVGGRQHSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)s1 ZINC000414663841 428368475 /nfs/dbraw/zinc/36/84/75/428368475.db2.gz RWHZRUUTSQGUIZ-UWVGGRQHSA-N 2 1 303.269 2.988 20 0 DFADMP O=C1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c2cc(F)ccc2N1 ZINC000360612334 428368767 /nfs/dbraw/zinc/36/87/67/428368767.db2.gz JFGCIGVDMYXWCO-FMKPAKJESA-N 2 1 317.408 2.816 20 0 DFADMP O=C1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c2cc(F)ccc2N1 ZINC000360612334 428368769 /nfs/dbraw/zinc/36/87/69/428368769.db2.gz JFGCIGVDMYXWCO-FMKPAKJESA-N 2 1 317.408 2.816 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414674461 428370162 /nfs/dbraw/zinc/37/01/62/428370162.db2.gz SAZIGPOVYFUIDD-BZUAXINKSA-N 2 1 313.449 2.648 20 0 DFADMP COc1ccc(C[N@H+]2CCCN(C[C@@H]([NH3+])CC(C)C)CC2)cc1 ZINC000414675553 428372580 /nfs/dbraw/zinc/37/25/80/428372580.db2.gz TZRHLKCUFLHDED-SFHVURJKSA-N 2 1 319.493 2.576 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](CCO)[C@H]2CCCc3ccccc32)CC[NH2+]1 ZINC000414690212 428375469 /nfs/dbraw/zinc/37/54/69/428375469.db2.gz HKOZDMFVDHMDRL-GJYPPUQNSA-N 2 1 302.462 2.746 20 0 DFADMP CCc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000357066655 428376266 /nfs/dbraw/zinc/37/62/66/428376266.db2.gz BPGMOTJQNOAPNY-QGZVFWFLSA-N 2 1 315.461 2.509 20 0 DFADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688524 428377120 /nfs/dbraw/zinc/37/71/20/428377120.db2.gz DRDYLJGNVNKWLP-VQIMIIECSA-N 2 1 317.477 2.513 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)ccn1 ZINC000357070959 428379318 /nfs/dbraw/zinc/37/93/18/428379318.db2.gz BHDFNYZIFINNEG-MOPGFXCFSA-N 2 1 323.440 2.702 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)ccn1 ZINC000357070959 428379323 /nfs/dbraw/zinc/37/93/23/428379323.db2.gz BHDFNYZIFINNEG-MOPGFXCFSA-N 2 1 323.440 2.702 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000378368250 428379463 /nfs/dbraw/zinc/37/94/63/428379463.db2.gz GHEZQEWTWCPZGN-GUDVDZBRSA-N 2 1 302.462 2.987 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)CC[NH2+]1 ZINC000414701181 428381000 /nfs/dbraw/zinc/38/10/00/428381000.db2.gz UDXZDVMVAUAZMX-IJEWVQPXSA-N 2 1 302.418 2.940 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000414714466 428382746 /nfs/dbraw/zinc/38/27/46/428382746.db2.gz PUDBVPMYFLIXIC-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710142 428384296 /nfs/dbraw/zinc/38/42/96/428384296.db2.gz RLZITUIHTGZTMV-RYRKJORJSA-N 2 1 315.461 2.502 20 0 DFADMP Cc1c[nH]nc1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733506 428387257 /nfs/dbraw/zinc/38/72/57/428387257.db2.gz JKVONYJLRMKHGL-PKOBYXMFSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1c[nH]nc1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733506 428387260 /nfs/dbraw/zinc/38/72/60/428387260.db2.gz JKVONYJLRMKHGL-PKOBYXMFSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1cn[nH]c1C[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733506 428387264 /nfs/dbraw/zinc/38/72/64/428387264.db2.gz JKVONYJLRMKHGL-PKOBYXMFSA-N 2 1 312.461 2.890 20 0 DFADMP Cc1cn[nH]c1C[N@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000414733506 428387268 /nfs/dbraw/zinc/38/72/68/428387268.db2.gz JKVONYJLRMKHGL-PKOBYXMFSA-N 2 1 312.461 2.890 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000414728135 428387538 /nfs/dbraw/zinc/38/75/38/428387538.db2.gz BQMMCZZMLWHVAX-LLVKDONJSA-N 2 1 313.239 2.716 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cnc21 ZINC000347083773 428436786 /nfs/dbraw/zinc/43/67/86/428436786.db2.gz ZQIWOLBCVVDICJ-SJPCQFCGSA-N 2 1 313.449 2.727 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+](C)C3C[C@H]4CC[C@@H](C3)[NH2+]4)cnc21 ZINC000347083773 428436792 /nfs/dbraw/zinc/43/67/92/428436792.db2.gz ZQIWOLBCVVDICJ-SJPCQFCGSA-N 2 1 313.449 2.727 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@]3(F)CC[NH2+]C3)cc2)C1 ZINC000372397156 428437066 /nfs/dbraw/zinc/43/70/66/428437066.db2.gz AQFCSSOWMRACEG-RDTXWAMCSA-N 2 1 319.424 2.559 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1c(C)nn(Cc2ccccc2Cl)c1C ZINC000414863497 428438836 /nfs/dbraw/zinc/43/88/36/428438836.db2.gz XDUNJNPOXPLEKI-UHFFFAOYSA-N 2 1 320.868 2.901 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414875141 428441981 /nfs/dbraw/zinc/44/19/81/428441981.db2.gz IREKGBKWHOFHMQ-UHFFFAOYSA-N 2 1 321.428 2.741 20 0 DFADMP CCOCc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347101533 428444117 /nfs/dbraw/zinc/44/41/17/428444117.db2.gz KVLUCXIQWSVGKG-INIZCTEOSA-N 2 1 306.450 2.663 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347101533 428444123 /nfs/dbraw/zinc/44/41/23/428444123.db2.gz KVLUCXIQWSVGKG-INIZCTEOSA-N 2 1 306.450 2.663 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347103192 428446019 /nfs/dbraw/zinc/44/60/19/428446019.db2.gz MDHAPAPIWAHZDV-SFHVURJKSA-N 2 1 312.461 2.637 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000378644211 428446168 /nfs/dbraw/zinc/44/61/68/428446168.db2.gz BVWAYSUPZNLVOB-QGZVFWFLSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](Oc2cccc(F)c2)C1 ZINC000378644211 428446173 /nfs/dbraw/zinc/44/61/73/428446173.db2.gz BVWAYSUPZNLVOB-QGZVFWFLSA-N 2 1 303.381 2.874 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379644469 428450564 /nfs/dbraw/zinc/45/05/64/428450564.db2.gz CIAWWLQWKFCLFH-CGTJXYLNSA-N 2 1 317.477 2.529 20 0 DFADMP Cc1cnc(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)n1C ZINC000342791544 428458698 /nfs/dbraw/zinc/45/86/98/428458698.db2.gz OFTKQJCARGRFKO-UHFFFAOYSA-N 2 1 312.461 2.825 20 0 DFADMP COc1cccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1OC ZINC000372546022 428461501 /nfs/dbraw/zinc/46/15/01/428461501.db2.gz QIGJWIBOJFOJMS-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1OC ZINC000372546022 428461505 /nfs/dbraw/zinc/46/15/05/428461505.db2.gz QIGJWIBOJFOJMS-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[NH2+]1 ZINC000414947324 428464791 /nfs/dbraw/zinc/46/47/91/428464791.db2.gz KQJTYOFFBWGGFA-MAUKXSAKSA-N 2 1 311.429 2.891 20 0 DFADMP COC[C@]1(C[NH2+][C@H](C)Cc2ccccc2SC)CCC[NH2+]1 ZINC000414944667 428465426 /nfs/dbraw/zinc/46/54/26/428465426.db2.gz OIJJWAWDEMGQMG-RHSMWYFYSA-N 2 1 308.491 2.698 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000387831880 428465822 /nfs/dbraw/zinc/46/58/22/428465822.db2.gz ZHIBHRRGGXVQBK-IXDOHACOSA-N 2 1 303.450 2.879 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414942481 428466455 /nfs/dbraw/zinc/46/64/55/428466455.db2.gz DNYHPVDYKZRCGL-CMPLNLGQSA-N 2 1 313.239 2.688 20 0 DFADMP CCOc1cccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1OC(F)F ZINC000414949946 428469295 /nfs/dbraw/zinc/46/92/95/428469295.db2.gz OBTKVDILVNYOAZ-YPMHNXCESA-N 2 1 314.376 2.917 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000347031515 428414996 /nfs/dbraw/zinc/41/49/96/428414996.db2.gz CCYXPOSHNMYLGL-LSDHHAIUSA-N 2 1 311.514 2.780 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000414812632 428422035 /nfs/dbraw/zinc/42/20/35/428422035.db2.gz XQNNLAHNAJJTQM-ABAIWWIYSA-N 2 1 309.841 2.692 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Br)c(Cl)c1)C1CC1 ZINC000414814419 428422907 /nfs/dbraw/zinc/42/29/07/428422907.db2.gz RVKUPTGUVMPRRB-GFCCVEGCSA-N 2 1 303.631 2.929 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000414826663 428424219 /nfs/dbraw/zinc/42/42/19/428424219.db2.gz FYVRUFKTNYCPHQ-UXPWSPDFSA-N 2 1 309.457 2.797 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000414826658 428424546 /nfs/dbraw/zinc/42/45/46/428424546.db2.gz FYVRUFKTNYCPHQ-LSTHTHJFSA-N 2 1 309.457 2.797 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)ccc1OC ZINC000347053549 428427155 /nfs/dbraw/zinc/42/71/55/428427155.db2.gz SNMMOPQDOHPRLF-HOCLYGCPSA-N 2 1 306.450 2.791 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C[NH3+])C2CCCCC2)C[C@H]1C ZINC000414838391 428431307 /nfs/dbraw/zinc/43/13/07/428431307.db2.gz KPVSGQLBZBOYSA-XLNGHYISSA-N 2 1 310.482 2.852 20 0 DFADMP C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000414844912 428431734 /nfs/dbraw/zinc/43/17/34/428431734.db2.gz DFXMLPSTZFPJAN-NEPJUHHUSA-N 2 1 306.841 2.704 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414847713 428431946 /nfs/dbraw/zinc/43/19/46/428431946.db2.gz FXZAFIFUGAEEOB-RNIPGJKVSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000414847713 428431952 /nfs/dbraw/zinc/43/19/52/428431952.db2.gz FXZAFIFUGAEEOB-RNIPGJKVSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@@H]([NH2+]C1CCN(CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414847576 428432147 /nfs/dbraw/zinc/43/21/47/428432147.db2.gz FUTVUJMSRHRFRQ-MJGOQNOKSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCC[NH2+]C1 ZINC000414847576 428432149 /nfs/dbraw/zinc/43/21/49/428432149.db2.gz FUTVUJMSRHRFRQ-MJGOQNOKSA-N 3 1 315.505 2.671 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C)c(C)c1 ZINC000414851183 428432874 /nfs/dbraw/zinc/43/28/74/428432874.db2.gz OVGASWFVOZSACA-HZPDHXFCSA-N 2 1 305.466 2.984 20 0 DFADMP C[C@H](Cc1ccccc1)C[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000360897340 428483189 /nfs/dbraw/zinc/48/31/89/428483189.db2.gz MAYSDQYRWKIVCX-SJORKVTESA-N 2 1 304.478 2.642 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414997879 428485655 /nfs/dbraw/zinc/48/56/55/428485655.db2.gz IALXTVOMQNWWDD-AWEZNQCLSA-N 2 1 320.387 2.515 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000393736735 428485994 /nfs/dbraw/zinc/48/59/94/428485994.db2.gz AEHVADYKICNDKA-ZWKOTPCHSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000393922055 428486714 /nfs/dbraw/zinc/48/67/14/428486714.db2.gz AYJNZRQTCFCPLN-CABCVRRESA-N 2 1 313.486 2.611 20 0 DFADMP Cc1ncc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)n1-c1ccccc1 ZINC000415009008 428488145 /nfs/dbraw/zinc/48/81/45/428488145.db2.gz SZBVCUFQQBKRAN-AWEZNQCLSA-N 2 1 320.387 2.515 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1snnc1C ZINC000394704412 428489654 /nfs/dbraw/zinc/48/96/54/428489654.db2.gz JVRGVLJPGJFPGF-UHFFFAOYSA-N 2 1 304.463 2.978 20 0 DFADMP Cc1[nH+]ccc(N2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c1Cl ZINC000357343189 428490269 /nfs/dbraw/zinc/49/02/69/428490269.db2.gz ZVEOQOOCMLGGOF-OAHLLOKOSA-N 2 1 322.884 2.650 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)cc2)c1 ZINC000415037627 428496636 /nfs/dbraw/zinc/49/66/36/428496636.db2.gz GWOYIIYFQSLYQP-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000396344740 428497802 /nfs/dbraw/zinc/49/78/02/428497802.db2.gz PAVYJMJODPMGCR-LMMKCTJWSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)Cc1ccc(C[N@@H+](C)C2CCN(CCO)CC2)cc1 ZINC000353350156 428498721 /nfs/dbraw/zinc/49/87/21/428498721.db2.gz KHWYFMBXSPWBQF-UHFFFAOYSA-N 2 1 304.478 2.774 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415050859 428500105 /nfs/dbraw/zinc/50/01/05/428500105.db2.gz DDUKHWWOOIKKCL-FZKQIMNGSA-N 2 1 322.449 2.519 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415050859 428500106 /nfs/dbraw/zinc/50/01/06/428500106.db2.gz DDUKHWWOOIKKCL-FZKQIMNGSA-N 2 1 322.449 2.519 20 0 DFADMP CC(C)CCOc1ccc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000415049897 428500336 /nfs/dbraw/zinc/50/03/36/428500336.db2.gz YIQHQDDYZGZEGJ-GOSISDBHSA-N 2 1 306.450 2.580 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415053079 428501864 /nfs/dbraw/zinc/50/18/64/428501864.db2.gz NYDMYWXUQDFODC-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP C1CC1[C@@H]1CCC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000415052788 428502026 /nfs/dbraw/zinc/50/20/26/428502026.db2.gz LIBITKJEHMLUCJ-TXQGORRRSA-N 2 1 305.510 2.761 20 0 DFADMP C[C@H](c1ccccc1)[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415055803 428503273 /nfs/dbraw/zinc/50/32/73/428503273.db2.gz OUZQSLARCOYEKK-BEEJXANESA-N 2 1 315.505 2.985 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@]1(C)C[NH3+] ZINC000415056108 428504573 /nfs/dbraw/zinc/50/45/73/428504573.db2.gz PVBFONWTNNRGLZ-RDTXWAMCSA-N 2 1 312.417 2.686 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396698511 428504899 /nfs/dbraw/zinc/50/48/99/428504899.db2.gz KHZWGJLEEDMONN-QFHJOOASSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@]1(C)C[NH3+] ZINC000415057793 428504955 /nfs/dbraw/zinc/50/49/55/428504955.db2.gz UHSGBFCMXASBQB-PIGZYNQJSA-N 2 1 320.387 2.772 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@]1(C)C[NH3+] ZINC000415057793 428504958 /nfs/dbraw/zinc/50/49/58/428504958.db2.gz UHSGBFCMXASBQB-PIGZYNQJSA-N 2 1 320.387 2.772 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415059804 428505671 /nfs/dbraw/zinc/50/56/71/428505671.db2.gz ZEQANSCOGIZUPN-RDTXWAMCSA-N 2 1 306.450 2.901 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397255959 428506779 /nfs/dbraw/zinc/50/67/79/428506779.db2.gz GMMHDHOIJPWBRT-NFAWXSAZSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(OC)c(OC)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000397255959 428506784 /nfs/dbraw/zinc/50/67/84/428506784.db2.gz GMMHDHOIJPWBRT-NFAWXSAZSA-N 2 1 322.449 2.518 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(OC)c1OC ZINC000397243853 428507380 /nfs/dbraw/zinc/50/73/80/428507380.db2.gz AVAKBRKRZUZCAJ-IPYPFGDCSA-N 2 1 322.449 2.518 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)c(OC)c1OC ZINC000397243853 428507382 /nfs/dbraw/zinc/50/73/82/428507382.db2.gz AVAKBRKRZUZCAJ-IPYPFGDCSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(OC)c1OC ZINC000397251618 428507617 /nfs/dbraw/zinc/50/76/17/428507617.db2.gz DRMKEVGKNZBCQX-IPYPFGDCSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc(OC)c1OC ZINC000397251618 428507621 /nfs/dbraw/zinc/50/76/21/428507621.db2.gz DRMKEVGKNZBCQX-IPYPFGDCSA-N 2 1 322.449 2.518 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415060865 428507676 /nfs/dbraw/zinc/50/76/76/428507676.db2.gz ZBWVRUBTIXRDEO-QZTJIDSGSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415063180 428507723 /nfs/dbraw/zinc/50/77/23/428507723.db2.gz GZGKOGIJJXDKCO-WBMJQRKESA-N 2 1 307.413 2.650 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1OC ZINC000397404249 428510013 /nfs/dbraw/zinc/51/00/13/428510013.db2.gz SKMDLXOTAVHAOO-INWMFGNUSA-N 2 1 306.450 2.817 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1OC ZINC000397404258 428510457 /nfs/dbraw/zinc/51/04/57/428510457.db2.gz SKMDLXOTAVHAOO-XPKDYRNWSA-N 2 1 306.450 2.817 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000415082895 428512615 /nfs/dbraw/zinc/51/26/15/428512615.db2.gz PAQBRQUYNQYJLM-GUDVDZBRSA-N 2 1 301.478 2.944 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000343075435 428513791 /nfs/dbraw/zinc/51/37/91/428513791.db2.gz AEXWFZAUCCQZJS-APWZRJJASA-N 2 1 301.478 2.581 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)cc1OC ZINC000415085455 428516539 /nfs/dbraw/zinc/51/65/39/428516539.db2.gz IFUWAGMUJAJGMI-FRRDWIJNSA-N 2 1 310.413 2.882 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000353393388 428517701 /nfs/dbraw/zinc/51/77/01/428517701.db2.gz JUHWCXRLAUMYTN-CEXWTWQISA-N 2 1 310.445 2.835 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)[C@H]2CCC[C@H]21 ZINC000353393388 428517705 /nfs/dbraw/zinc/51/77/05/428517705.db2.gz JUHWCXRLAUMYTN-CEXWTWQISA-N 2 1 310.445 2.835 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415100790 428518269 /nfs/dbraw/zinc/51/82/69/428518269.db2.gz ALCJSAKGDVJFFN-RHSMWYFYSA-N 2 1 312.461 2.906 20 0 DFADMP C[C@]1(C[N@H+]2CC[C@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]C1 ZINC000415111164 428524031 /nfs/dbraw/zinc/52/40/31/428524031.db2.gz OMLJKKLJBXPLDM-KBPBESRZSA-N 2 1 320.399 2.667 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)c1 ZINC000415119273 428525697 /nfs/dbraw/zinc/52/56/97/428525697.db2.gz FFLKWEQPWYNNRJ-DOTOQJQBSA-N 2 1 306.450 2.519 20 0 DFADMP CC[C@H](C)C[NH2+]Cc1ccc(C[NH+]2CCN(CC)CC2)cc1 ZINC000357417743 428526823 /nfs/dbraw/zinc/52/68/23/428526823.db2.gz QOQWPUNKPUOUMN-KRWDZBQOSA-N 2 1 303.494 2.960 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000415118728 428527693 /nfs/dbraw/zinc/52/76/93/428527693.db2.gz DWUCYGUURZDCJQ-ZBFHGGJFSA-N 2 1 306.450 2.901 20 0 DFADMP Clc1ccccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415125413 428529590 /nfs/dbraw/zinc/52/95/90/428529590.db2.gz DULJVMSZELFNID-ZBFHGGJFSA-N 2 1 306.837 2.540 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@H]1C[NH3+] ZINC000415123724 428529751 /nfs/dbraw/zinc/52/97/51/428529751.db2.gz JOKRTKNPTAONIW-CHWSQXEVSA-N 2 1 304.463 2.565 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH2+]1 ZINC000414953505 428472021 /nfs/dbraw/zinc/47/20/21/428472021.db2.gz RSWVWWSCKKFANO-AAEUAGOBSA-N 2 1 310.825 2.731 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414957207 428472298 /nfs/dbraw/zinc/47/22/98/428472298.db2.gz VWTCWMZDWHLCDB-GWCFXTLKSA-N 2 1 313.239 2.688 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OC ZINC000414956696 428472488 /nfs/dbraw/zinc/47/24/88/428472488.db2.gz NQXOZQDXFIJDRN-SMDDNHRTSA-N 2 1 312.841 2.835 20 0 DFADMP CC[N@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000390694456 428472614 /nfs/dbraw/zinc/47/26/14/428472614.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390694456 428472620 /nfs/dbraw/zinc/47/26/20/428472620.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390694456 428472624 /nfs/dbraw/zinc/47/26/24/428472624.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000390694456 428472630 /nfs/dbraw/zinc/47/26/30/428472630.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000390694456 428472636 /nfs/dbraw/zinc/47/26/36/428472636.db2.gz QZUUIDOFWBHLMA-XUBOLADHSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000342847432 428472817 /nfs/dbraw/zinc/47/28/17/428472817.db2.gz BSEQTKXUKFOTRS-YKTARERQSA-N 2 1 317.477 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000390564818 428473679 /nfs/dbraw/zinc/47/36/79/428473679.db2.gz OLUQPVVBVFNTGZ-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000390564818 428473685 /nfs/dbraw/zinc/47/36/85/428473685.db2.gz OLUQPVVBVFNTGZ-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390722037 428474031 /nfs/dbraw/zinc/47/40/31/428474031.db2.gz ZNCRZESJTLLCJC-NWJVMNJYSA-N 2 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390722037 428474034 /nfs/dbraw/zinc/47/40/34/428474034.db2.gz ZNCRZESJTLLCJC-NWJVMNJYSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390722037 428474039 /nfs/dbraw/zinc/47/40/39/428474039.db2.gz ZNCRZESJTLLCJC-NWJVMNJYSA-N 3 1 313.489 2.899 20 0 DFADMP CC[NH2+][C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414968253 428477374 /nfs/dbraw/zinc/47/73/74/428477374.db2.gz YIUUJKIAKBFOKR-BPIHKTFHSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110573 428580999 /nfs/dbraw/zinc/58/09/99/428580999.db2.gz KNCBUJHRUZGCQF-WCXIOVBPSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000415130804 428533247 /nfs/dbraw/zinc/53/32/47/428533247.db2.gz XWGDIGXPGLRIFQ-GOEBONIOSA-N 2 1 323.506 2.985 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1)OCCO2 ZINC000415135361 428534939 /nfs/dbraw/zinc/53/49/39/428534939.db2.gz WPXGNCYGYNBGFF-GXTWGEPZSA-N 2 1 322.474 2.596 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1)OCCO2 ZINC000415135361 428534944 /nfs/dbraw/zinc/53/49/44/428534944.db2.gz WPXGNCYGYNBGFF-GXTWGEPZSA-N 2 1 322.474 2.596 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353442203 428535786 /nfs/dbraw/zinc/53/57/86/428535786.db2.gz OVFKWKOIZVJVKP-VSZNYVQBSA-N 2 1 317.477 2.879 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C(C)C)[C@H]1CCOC1 ZINC000361081617 428536049 /nfs/dbraw/zinc/53/60/49/428536049.db2.gz MXCFRAKRWAPHKY-KRWDZBQOSA-N 2 1 300.406 2.575 20 0 DFADMP CC[C@@H](C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415143888 428538145 /nfs/dbraw/zinc/53/81/45/428538145.db2.gz UFTPBGLOIBWHAK-UHOSZYNNSA-N 2 1 314.473 2.881 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000353438786 428538183 /nfs/dbraw/zinc/53/81/83/428538183.db2.gz VULKAKCOXXNUQI-ZSYWTGECSA-N 2 1 301.478 2.752 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000353438786 428538187 /nfs/dbraw/zinc/53/81/87/428538187.db2.gz VULKAKCOXXNUQI-ZSYWTGECSA-N 2 1 301.478 2.752 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000353438786 428538191 /nfs/dbraw/zinc/53/81/91/428538191.db2.gz VULKAKCOXXNUQI-ZSYWTGECSA-N 2 1 301.478 2.752 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3NCCC[NH+]2CCCC2)cc1 ZINC000399685280 428541420 /nfs/dbraw/zinc/54/14/20/428541420.db2.gz ZORLDFXDJAUKAN-YOFSQIOKSA-N 2 1 313.489 2.582 20 0 DFADMP c1ccc(CN2C[C@H]3C[C@@H](C2)C3[NH2+]CCC[NH+]2CCCC2)cc1 ZINC000399685280 428541425 /nfs/dbraw/zinc/54/14/25/428541425.db2.gz ZORLDFXDJAUKAN-YOFSQIOKSA-N 2 1 313.489 2.582 20 0 DFADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccc(F)cc1 ZINC000361145444 428542124 /nfs/dbraw/zinc/54/21/24/428542124.db2.gz SDJQLKYWEPSLPV-NJAFHUGGSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccc(F)cc1 ZINC000361145444 428542130 /nfs/dbraw/zinc/54/21/30/428542130.db2.gz SDJQLKYWEPSLPV-NJAFHUGGSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccc(F)cc1 ZINC000361145444 428542136 /nfs/dbraw/zinc/54/21/36/428542136.db2.gz SDJQLKYWEPSLPV-NJAFHUGGSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccc(F)cc1 ZINC000361145444 428542141 /nfs/dbraw/zinc/54/21/41/428542141.db2.gz SDJQLKYWEPSLPV-NJAFHUGGSA-N 2 1 316.420 2.815 20 0 DFADMP C[C@H](NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400734676 428549155 /nfs/dbraw/zinc/54/91/55/428549155.db2.gz JRKQJLPUCCPSPD-SXLOBPIMSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400734676 428549161 /nfs/dbraw/zinc/54/91/61/428549161.db2.gz JRKQJLPUCCPSPD-SXLOBPIMSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@H]1CC[NH2+]C1 ZINC000400734676 428549168 /nfs/dbraw/zinc/54/91/68/428549168.db2.gz JRKQJLPUCCPSPD-SXLOBPIMSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353465349 428550052 /nfs/dbraw/zinc/55/00/52/428550052.db2.gz SRQAWCXYPUCVRJ-ZRSRNVLSSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353465349 428550057 /nfs/dbraw/zinc/55/00/57/428550057.db2.gz SRQAWCXYPUCVRJ-ZRSRNVLSSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353465349 428550062 /nfs/dbraw/zinc/55/00/62/428550062.db2.gz SRQAWCXYPUCVRJ-ZRSRNVLSSA-N 2 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353465349 428550066 /nfs/dbraw/zinc/55/00/66/428550066.db2.gz SRQAWCXYPUCVRJ-ZRSRNVLSSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353465349 428550068 /nfs/dbraw/zinc/55/00/68/428550068.db2.gz SRQAWCXYPUCVRJ-ZRSRNVLSSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353465349 428550072 /nfs/dbraw/zinc/55/00/72/428550072.db2.gz SRQAWCXYPUCVRJ-ZRSRNVLSSA-N 3 1 307.526 2.817 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353465349 428550078 /nfs/dbraw/zinc/55/00/78/428550078.db2.gz SRQAWCXYPUCVRJ-ZRSRNVLSSA-N 3 1 307.526 2.817 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000401045810 428550933 /nfs/dbraw/zinc/55/09/33/428550933.db2.gz VRTLFVGTXOZXHA-WSTZPKSXSA-N 3 1 313.489 2.629 20 0 DFADMP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000402798259 428561494 /nfs/dbraw/zinc/56/14/94/428561494.db2.gz ODHRTCSSYCHMLD-UZLBHIALSA-N 2 1 324.472 2.828 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000353494660 428565869 /nfs/dbraw/zinc/56/58/69/428565869.db2.gz DIIXSUGJCOKNNL-LNLFQRSKSA-N 2 1 310.445 2.835 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@@H]1CC[NH3+] ZINC000404317595 428567460 /nfs/dbraw/zinc/56/74/60/428567460.db2.gz PJHWZANOPUSVNP-XMTFNYHQSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@H]32)[C@@H]1CC[NH3+] ZINC000404317595 428567464 /nfs/dbraw/zinc/56/74/64/428567464.db2.gz PJHWZANOPUSVNP-XMTFNYHQSA-N 2 1 321.509 2.617 20 0 DFADMP Cn1ccnc1C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000353504710 428567566 /nfs/dbraw/zinc/56/75/66/428567566.db2.gz SIAQPFMUQUSXAS-UHFFFAOYSA-N 2 1 312.461 2.953 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2CCF)C[C@H](C)O1 ZINC000353499998 428567626 /nfs/dbraw/zinc/56/76/26/428567626.db2.gz FDNAMLJGXDQHCV-YYIAUSFCSA-N 2 1 300.462 2.994 20 0 DFADMP O=C(NC1CC([NH+]2CCCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000357857105 428567805 /nfs/dbraw/zinc/56/78/05/428567805.db2.gz LBGCJSFDQURGFK-VMWRSERWSA-N 2 1 319.493 2.527 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c(OC)c1 ZINC000353503811 428568255 /nfs/dbraw/zinc/56/82/55/428568255.db2.gz PXOPIIKYVGZRQA-KURKYZTESA-N 2 1 318.461 2.709 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)c1 ZINC000404362878 428569253 /nfs/dbraw/zinc/56/92/53/428569253.db2.gz GCWNERYALIWKOQ-WMLDXEAASA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(C)c1 ZINC000404362878 428569258 /nfs/dbraw/zinc/56/92/58/428569258.db2.gz GCWNERYALIWKOQ-WMLDXEAASA-N 2 1 303.450 2.691 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3CN(CCC[NH+]4CCCC4)C[C@H]3C2)cc1 ZINC000373406740 428569337 /nfs/dbraw/zinc/56/93/37/428569337.db2.gz XJNRUSKUTQSVDF-BGYRXZFFSA-N 2 1 313.489 2.536 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(OC)c1OC ZINC000404423288 428570004 /nfs/dbraw/zinc/57/00/04/428570004.db2.gz JUXNFNUNCKAYMT-DZGCQCFKSA-N 2 1 322.449 2.662 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c(OC)c1OC ZINC000404423288 428570007 /nfs/dbraw/zinc/57/00/07/428570007.db2.gz JUXNFNUNCKAYMT-DZGCQCFKSA-N 2 1 322.449 2.662 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000361494977 428572376 /nfs/dbraw/zinc/57/23/76/428572376.db2.gz BBEJFIAZDSNKBA-JFIYKMOQSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000361494977 428572379 /nfs/dbraw/zinc/57/23/79/428572379.db2.gz BBEJFIAZDSNKBA-JFIYKMOQSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000361494977 428572382 /nfs/dbraw/zinc/57/23/82/428572382.db2.gz BBEJFIAZDSNKBA-JFIYKMOQSA-N 2 1 321.509 2.582 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC[N@H+](Cc2ccccc2)C1 ZINC000353521384 428575374 /nfs/dbraw/zinc/57/53/74/428575374.db2.gz RMOHZPWMORYHMG-OTWHNJEPSA-N 2 1 320.452 2.741 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC[C@H]2CCF)CC[N@@H+](Cc2ccccc2)C1 ZINC000353521384 428575377 /nfs/dbraw/zinc/57/53/77/428575377.db2.gz RMOHZPWMORYHMG-OTWHNJEPSA-N 2 1 320.452 2.741 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000343823727 428575968 /nfs/dbraw/zinc/57/59/68/428575968.db2.gz GEFNWESZZSWHDY-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H](C)C[NH+]1CCCCC1)c1ccccc1 ZINC000343823727 428575973 /nfs/dbraw/zinc/57/59/73/428575973.db2.gz GEFNWESZZSWHDY-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c(c1)oc(=O)n2C ZINC000353523959 428578425 /nfs/dbraw/zinc/57/84/25/428578425.db2.gz VEHYKGXBCUGTLG-UHFFFAOYSA-N 2 1 319.449 2.685 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c(c1)oc(=O)n2C ZINC000353523959 428578429 /nfs/dbraw/zinc/57/84/29/428578429.db2.gz VEHYKGXBCUGTLG-UHFFFAOYSA-N 2 1 319.449 2.685 20 0 DFADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000373528796 428598293 /nfs/dbraw/zinc/59/82/93/428598293.db2.gz JSZMJGXXXTWURL-YESZJQIVSA-N 2 1 312.498 2.528 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000362081926 428616146 /nfs/dbraw/zinc/61/61/46/428616146.db2.gz ZARXEBGPWMHTRT-JKSUJKDBSA-N 2 1 320.481 2.900 20 0 DFADMP CCC[C@@H](C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1)[NH+](C)C ZINC000362081923 428616539 /nfs/dbraw/zinc/61/65/39/428616539.db2.gz ZARXEBGPWMHTRT-CVEARBPZSA-N 2 1 320.481 2.900 20 0 DFADMP CCc1cccc(F)c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000353615800 428622146 /nfs/dbraw/zinc/62/21/46/428622146.db2.gz LWLWGANYVXJWPS-OAHLLOKOSA-N 2 1 322.468 2.913 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@H]2CCC[C@H]21 ZINC000353621321 428625770 /nfs/dbraw/zinc/62/57/70/428625770.db2.gz LYAFNIUDJHIGRB-WCXIOVBPSA-N 2 1 316.445 2.679 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000415924922 428628141 /nfs/dbraw/zinc/62/81/41/428628141.db2.gz ZFWFKYWZYANODR-GJZGRUSLSA-N 2 1 318.465 2.648 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2nc[nH]c2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353623175 428629272 /nfs/dbraw/zinc/62/92/72/428629272.db2.gz ODPVZIIVHPPAAA-JQHSSLGASA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353623175 428629276 /nfs/dbraw/zinc/62/92/76/428629276.db2.gz ODPVZIIVHPPAAA-JQHSSLGASA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353623175 428629279 /nfs/dbraw/zinc/62/92/79/428629279.db2.gz ODPVZIIVHPPAAA-JQHSSLGASA-N 2 1 324.472 2.767 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000415924921 428629433 /nfs/dbraw/zinc/62/94/33/428629433.db2.gz ZFWFKYWZYANODR-CABCVRRESA-N 2 1 318.465 2.648 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353631567 428630421 /nfs/dbraw/zinc/63/04/21/428630421.db2.gz LYBDKPMRRITBNP-ZJPYXAASSA-N 2 1 306.425 2.976 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000358699058 428632161 /nfs/dbraw/zinc/63/21/61/428632161.db2.gz UTLWMBWTFRBZPM-UHFFFAOYSA-N 2 1 317.477 2.744 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@@H]1CCC[N@H+]1CC ZINC000415941261 428633021 /nfs/dbraw/zinc/63/30/21/428633021.db2.gz FZZDKXSOIOYFMF-INIZCTEOSA-N 2 1 318.465 2.744 20 0 DFADMP C[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@@H]1C ZINC000415972151 428637461 /nfs/dbraw/zinc/63/74/61/428637461.db2.gz HJMYADQIENVQHR-UONOGXRCSA-N 2 1 304.438 2.530 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000358722946 428642678 /nfs/dbraw/zinc/64/26/78/428642678.db2.gz LKWZEJBIGSLATK-UMGGQSCQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358722946 428642682 /nfs/dbraw/zinc/64/26/82/428642682.db2.gz LKWZEJBIGSLATK-UMGGQSCQSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358722946 428642684 /nfs/dbraw/zinc/64/26/84/428642684.db2.gz LKWZEJBIGSLATK-UMGGQSCQSA-N 3 1 315.505 2.969 20 0 DFADMP Cc1cc(N(C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2ccnn2C)cc[nH+]1 ZINC000344444254 428643202 /nfs/dbraw/zinc/64/32/02/428643202.db2.gz FGXJOCHMRGUDJO-YJBOKZPZSA-N 2 1 313.449 2.643 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000353642002 428634952 /nfs/dbraw/zinc/63/49/52/428634952.db2.gz KINVGCNJVKQCJI-OIISXLGYSA-N 2 1 316.493 2.900 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)Nc1ccccc1C[NH2+]CC ZINC000415958881 428635991 /nfs/dbraw/zinc/63/59/91/428635991.db2.gz RVLUIWULGLWNGX-UHFFFAOYSA-N 2 1 306.454 2.650 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000274361859 274134173 /nfs/dbraw/zinc/13/41/73/274134173.db2.gz ILSBSDOJHHUUHS-ZQIUZPCESA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000274361859 274134175 /nfs/dbraw/zinc/13/41/75/274134175.db2.gz ILSBSDOJHHUUHS-ZQIUZPCESA-N 2 1 302.418 2.735 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353678482 428655644 /nfs/dbraw/zinc/65/56/44/428655644.db2.gz MWVAKVRTPAJJPL-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000353702973 428667341 /nfs/dbraw/zinc/66/73/41/428667341.db2.gz KTPAUOODHBDRTG-ZACQAIPSSA-N 2 1 309.498 2.617 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC[N@@H+]1C ZINC000332185323 274393028 /nfs/dbraw/zinc/39/30/28/274393028.db2.gz BCGAGRFTQHQJBL-IVMMDQJWSA-N 2 1 303.450 2.943 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC(C)(C)Oc3ccc(N)cc32)CC[N@H+]1C ZINC000332185323 274393029 /nfs/dbraw/zinc/39/30/29/274393029.db2.gz BCGAGRFTQHQJBL-IVMMDQJWSA-N 2 1 303.450 2.943 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416241669 428698569 /nfs/dbraw/zinc/69/85/69/428698569.db2.gz DLSKDTMNXUUNJY-MSOLQXFVSA-N 2 1 317.477 2.621 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000353754807 428698578 /nfs/dbraw/zinc/69/85/78/428698578.db2.gz QLOMBENTYNAOQK-KBXCAEBGSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000353754807 428698582 /nfs/dbraw/zinc/69/85/82/428698582.db2.gz QLOMBENTYNAOQK-KBXCAEBGSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000353754807 428698584 /nfs/dbraw/zinc/69/85/84/428698584.db2.gz QLOMBENTYNAOQK-KBXCAEBGSA-N 2 1 303.450 2.950 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000353754815 428700329 /nfs/dbraw/zinc/70/03/29/428700329.db2.gz QLOMBENTYNAOQK-RDTXWAMCSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000353754815 428700333 /nfs/dbraw/zinc/70/03/33/428700333.db2.gz QLOMBENTYNAOQK-RDTXWAMCSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000353754815 428700338 /nfs/dbraw/zinc/70/03/38/428700338.db2.gz QLOMBENTYNAOQK-RDTXWAMCSA-N 2 1 303.450 2.950 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000416253133 428700739 /nfs/dbraw/zinc/70/07/39/428700739.db2.gz QNPAYKVNJTYJBB-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000374610761 428712553 /nfs/dbraw/zinc/71/25/53/428712553.db2.gz HTGLDMLYQFARPW-MSOLQXFVSA-N 2 1 315.505 2.890 20 0 DFADMP COc1cccc2c1ncc(C)c2NCC[N@@H+]1CCOC[C@@H]1C ZINC000344932115 428724792 /nfs/dbraw/zinc/72/47/92/428724792.db2.gz BEBXTGCKOQAMOS-AWEZNQCLSA-N 2 1 315.417 2.684 20 0 DFADMP COc1cccc2c1ncc(C)c2NCC[N@H+]1CCOC[C@@H]1C ZINC000344932115 428724799 /nfs/dbraw/zinc/72/47/99/428724799.db2.gz BEBXTGCKOQAMOS-AWEZNQCLSA-N 2 1 315.417 2.684 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1C ZINC000362386165 428727300 /nfs/dbraw/zinc/72/73/00/428727300.db2.gz ODZKFLRCWIBTSQ-NZSAHSFTSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1C ZINC000362386165 428727305 /nfs/dbraw/zinc/72/73/05/428727305.db2.gz ODZKFLRCWIBTSQ-NZSAHSFTSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1C ZINC000362386165 428727309 /nfs/dbraw/zinc/72/73/09/428727309.db2.gz ODZKFLRCWIBTSQ-NZSAHSFTSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1C ZINC000362386165 428727312 /nfs/dbraw/zinc/72/73/12/428727312.db2.gz ODZKFLRCWIBTSQ-NZSAHSFTSA-N 2 1 316.493 2.826 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416146930 428676984 /nfs/dbraw/zinc/67/69/84/428676984.db2.gz QJCXGZSPQLEFBJ-SFHVURJKSA-N 2 1 317.477 2.622 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000348251943 428680534 /nfs/dbraw/zinc/68/05/34/428680534.db2.gz ALTSKLWKXAMSRO-VQTJNVASSA-N 2 1 315.505 2.653 20 0 DFADMP C(CO[C@@H]1CCCCO1)C[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000358806406 428686370 /nfs/dbraw/zinc/68/63/70/428686370.db2.gz MUBZQRNXMFCUEW-GOSISDBHSA-N 2 1 310.482 2.870 20 0 DFADMP c1ccc(CN2CCC[C@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)cc1 ZINC000348277634 428689856 /nfs/dbraw/zinc/68/98/56/428689856.db2.gz SWXNBBHTYNJYPP-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@]3(CC[NH+]([C@H]4CCOC4)C3)C2)cc1 ZINC000348277634 428689863 /nfs/dbraw/zinc/68/98/63/428689863.db2.gz SWXNBBHTYNJYPP-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CCC[C@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)cc1 ZINC000348277634 428689882 /nfs/dbraw/zinc/68/98/82/428689882.db2.gz SWXNBBHTYNJYPP-OALUTQOASA-N 2 1 300.446 2.763 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358966198 428752302 /nfs/dbraw/zinc/75/23/02/428752302.db2.gz ODHMMGTZIGANIC-NVXWUHKLSA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358966198 428752306 /nfs/dbraw/zinc/75/23/06/428752306.db2.gz ODHMMGTZIGANIC-NVXWUHKLSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3cncs3)CC2)C[C@H](C)O1 ZINC000411223116 428762325 /nfs/dbraw/zinc/76/23/25/428762325.db2.gz XPBKDXRLSRDAMH-GASCZTMLSA-N 2 1 323.506 2.507 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2C[C@H](C)[C@H](C)C2)CC1 ZINC000353884915 428762518 /nfs/dbraw/zinc/76/25/18/428762518.db2.gz ZDANZVMCJIHFHQ-CALCHBBNSA-N 2 1 301.478 2.916 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000345189370 428792803 /nfs/dbraw/zinc/79/28/03/428792803.db2.gz MNMPIILJDFLQTF-QGZVFWFLSA-N 2 1 311.514 2.879 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000345189370 428792808 /nfs/dbraw/zinc/79/28/08/428792808.db2.gz MNMPIILJDFLQTF-QGZVFWFLSA-N 2 1 311.514 2.879 20 0 DFADMP COC(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411241895 428765711 /nfs/dbraw/zinc/76/57/11/428765711.db2.gz VQHMHMNKCIGAKE-SFHVURJKSA-N 2 1 316.445 2.810 20 0 DFADMP COC(=O)[C@@H]1CCC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411241895 428765717 /nfs/dbraw/zinc/76/57/17/428765717.db2.gz VQHMHMNKCIGAKE-SFHVURJKSA-N 2 1 316.445 2.810 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(C(F)F)CC2)[C@@H](C)C1 ZINC000359005913 428770740 /nfs/dbraw/zinc/77/07/40/428770740.db2.gz WYJSKEVBPUTOSM-UONOGXRCSA-N 2 1 304.425 2.758 20 0 DFADMP C[N@@H+](C[C@@H]1CCCCO1)C1CCN(CCc2ccncc2)CC1 ZINC000374754383 428745207 /nfs/dbraw/zinc/74/52/07/428745207.db2.gz NUAIZZOCEXPXCS-IBGZPJMESA-N 2 1 317.477 2.589 20 0 DFADMP C[N@H+](C[C@@H]1CCCCO1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374754383 428745216 /nfs/dbraw/zinc/74/52/16/428745216.db2.gz NUAIZZOCEXPXCS-IBGZPJMESA-N 2 1 317.477 2.589 20 0 DFADMP C[N@@H+](C[C@@H]1CCCCO1)C1CC[NH+](CCc2ccncc2)CC1 ZINC000374754383 428745220 /nfs/dbraw/zinc/74/52/20/428745220.db2.gz NUAIZZOCEXPXCS-IBGZPJMESA-N 2 1 317.477 2.589 20 0 DFADMP OC[C@@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411145616 428746737 /nfs/dbraw/zinc/74/67/37/428746737.db2.gz CMCYOVKBBQPKRW-LJQANCHMSA-N 2 1 302.462 2.877 20 0 DFADMP CO[C@H]1C[C@@H]([NH+](C)CCC(C)CC[N@H+](C)[C@H]2C[C@@H](OC)C2)C1 ZINC000411718793 428846889 /nfs/dbraw/zinc/84/68/89/428846889.db2.gz LYBVRCGBPQWCRA-BALXVJCKSA-N 2 1 312.498 2.621 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000363061079 428850318 /nfs/dbraw/zinc/85/03/18/428850318.db2.gz HRICDOQTOJZHSJ-MRXNPFEDSA-N 2 1 317.477 2.668 20 0 DFADMP C[N@@H+](CCC1(O)CCC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000411424932 428796055 /nfs/dbraw/zinc/79/60/55/428796055.db2.gz LZPDYEZDACTULJ-UHFFFAOYSA-N 2 1 303.450 2.535 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@H]1O ZINC000411427072 428796886 /nfs/dbraw/zinc/79/68/86/428796886.db2.gz QDDSUACYWZKIRE-RBUKOAKNSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411514735 428808332 /nfs/dbraw/zinc/80/83/32/428808332.db2.gz GPWFGIJFVMRWHU-IXDOHACOSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCC[C@H]1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411514735 428808333 /nfs/dbraw/zinc/80/83/33/428808333.db2.gz GPWFGIJFVMRWHU-IXDOHACOSA-N 2 1 321.509 2.630 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2c(cc(C)cc2C)[nH]1 ZINC000359084925 428810390 /nfs/dbraw/zinc/81/03/90/428810390.db2.gz SGNVAZFDGNTQDG-UHFFFAOYSA-N 2 1 303.450 2.843 20 0 DFADMP CCCCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411520629 428811009 /nfs/dbraw/zinc/81/10/09/428811009.db2.gz WJUAIHRATUICRI-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000345251384 428816093 /nfs/dbraw/zinc/81/60/93/428816093.db2.gz QCGMRXPXLHLTJQ-YESZJQIVSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000359116743 428824835 /nfs/dbraw/zinc/82/48/35/428824835.db2.gz QUWUUNZJOWZZEN-HOTGVXAUSA-N 2 1 320.506 2.637 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@@H]1CO ZINC000411614231 428826275 /nfs/dbraw/zinc/82/62/75/428826275.db2.gz KPBSWBDUUHMSRV-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@@H]1[C@H](CO)CC[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411655607 428833419 /nfs/dbraw/zinc/83/34/19/428833419.db2.gz LNPOOMQATMIUSQ-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000354052842 428842010 /nfs/dbraw/zinc/84/20/10/428842010.db2.gz IBBMVMXIXZMUCB-INIZCTEOSA-N 2 1 300.406 2.650 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)n1 ZINC000354052842 428842015 /nfs/dbraw/zinc/84/20/15/428842015.db2.gz IBBMVMXIXZMUCB-INIZCTEOSA-N 2 1 300.406 2.650 20 0 DFADMP COc1ccc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(OC)c1 ZINC000354101516 428863274 /nfs/dbraw/zinc/86/32/74/428863274.db2.gz VFGIWRQCDKAYFJ-INIZCTEOSA-N 2 1 318.461 2.868 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(CCC2CC[NH2+]CC2)CC1 ZINC000359200608 428863244 /nfs/dbraw/zinc/86/32/44/428863244.db2.gz GFAUZAHTDVQMNO-UHFFFAOYSA-N 2 1 301.478 2.502 20 0 DFADMP COc1ccc(CN2CC[C@H](C[N@@H+](C)CC3CC3)C2)c(OC)c1 ZINC000354101517 428863795 /nfs/dbraw/zinc/86/37/95/428863795.db2.gz VFGIWRQCDKAYFJ-MRXNPFEDSA-N 2 1 318.461 2.868 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359208408 428866995 /nfs/dbraw/zinc/86/69/95/428866995.db2.gz JISRPWAJYFRUBX-OAHLLOKOSA-N 2 1 313.449 2.650 20 0 DFADMP c1ccc(COC[C@H]2CC[N@H+](CCC3CC[NH2+]CC3)C2)cc1 ZINC000359222940 428871692 /nfs/dbraw/zinc/87/16/92/428871692.db2.gz RFEYACHQHHSYSY-IBGZPJMESA-N 2 1 302.462 2.915 20 0 DFADMP Cc1cccc(NC2CCN(Cc3nc(C(C)C)no3)CC2)[nH+]1 ZINC000363231361 428886656 /nfs/dbraw/zinc/88/66/56/428886656.db2.gz NDBSCODMAZMUQC-UHFFFAOYSA-N 2 1 315.421 2.973 20 0 DFADMP CC[C@H](C)NC(=O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375476350 428895289 /nfs/dbraw/zinc/89/52/89/428895289.db2.gz PEGDFFIWXHEYSX-KVSKMBFKSA-N 2 1 317.477 2.574 20 0 DFADMP CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375476350 428895295 /nfs/dbraw/zinc/89/52/95/428895295.db2.gz PEGDFFIWXHEYSX-KVSKMBFKSA-N 2 1 317.477 2.574 20 0 DFADMP CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375476350 428895297 /nfs/dbraw/zinc/89/52/97/428895297.db2.gz PEGDFFIWXHEYSX-KVSKMBFKSA-N 2 1 317.477 2.574 20 0 DFADMP COc1ccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c(OC)c1 ZINC000375506616 428903385 /nfs/dbraw/zinc/90/33/85/428903385.db2.gz KRKDRDGSJMRPEF-UHFFFAOYSA-N 2 1 304.434 2.764 20 0 DFADMP C[C@@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411991914 428903775 /nfs/dbraw/zinc/90/37/75/428903775.db2.gz ZELWTJGOGFMVTF-MHORFTMASA-N 2 1 321.509 2.725 20 0 DFADMP CCc1nccc([C@@H]2CCC[N@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000363459689 428919111 /nfs/dbraw/zinc/91/91/11/428919111.db2.gz QDPBZSKOGXZIAO-MRXNPFEDSA-N 2 1 313.449 2.814 20 0 DFADMP CCc1nccc([C@@H]2CCC[N@@H+](CCCn3cc[nH+]c3C)C2)n1 ZINC000363459689 428919113 /nfs/dbraw/zinc/91/91/13/428919113.db2.gz QDPBZSKOGXZIAO-MRXNPFEDSA-N 2 1 313.449 2.814 20 0 DFADMP C[C@H](N[C@@H]1CCCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423549619 428971195 /nfs/dbraw/zinc/97/11/95/428971195.db2.gz HXFDMMSVDPBEDK-QXAKKESOSA-N 2 1 301.478 2.629 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226267 428927952 /nfs/dbraw/zinc/92/79/52/428927952.db2.gz VXZQTQCOKRJJTO-FUHWJXTLSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)NCC2CCCCC2)C[C@@H]1C ZINC000354226267 428927960 /nfs/dbraw/zinc/92/79/60/428927960.db2.gz VXZQTQCOKRJJTO-FUHWJXTLSA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(F)cc2C(=O)OC)C[C@@H]1C ZINC000354226235 428928571 /nfs/dbraw/zinc/92/85/71/428928571.db2.gz VTNFGSCTEOHVGC-BBRMVZONSA-N 2 1 322.424 2.917 20 0 DFADMP Cc1ccn2c(C[N@@H+]3CC[C@H](C4CC[NH+](C)CC4)C3)cnc2c1 ZINC000349183357 428933700 /nfs/dbraw/zinc/93/37/00/428933700.db2.gz GNXNEFZMAXVRSY-KRWDZBQOSA-N 2 1 312.461 2.806 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000349190182 428936153 /nfs/dbraw/zinc/93/61/53/428936153.db2.gz MNXIWKLWGRZYDD-INIZCTEOSA-N 2 1 303.450 2.562 20 0 DFADMP CC(C)CO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1(C)C ZINC000363685459 428971754 /nfs/dbraw/zinc/97/17/54/428971754.db2.gz IIAFAXVNVVCKHE-HRCADAONSA-N 2 1 305.466 2.875 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000412085920 428945981 /nfs/dbraw/zinc/94/59/81/428945981.db2.gz FCXONAYQZBYPJL-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000412085920 428945991 /nfs/dbraw/zinc/94/59/91/428945991.db2.gz FCXONAYQZBYPJL-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccnc1 ZINC000359378949 428946020 /nfs/dbraw/zinc/94/60/20/428946020.db2.gz CSRXMAWWZNUTJU-ZWKOTPCHSA-N 2 1 305.466 2.605 20 0 DFADMP Cc1cnn(CC[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000375748405 428961252 /nfs/dbraw/zinc/96/12/52/428961252.db2.gz YRRWMRBLDZDOBE-HXUWFJFHSA-N 2 1 324.472 2.790 20 0 DFADMP Cc1cnn(CC[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c1 ZINC000375748405 428961255 /nfs/dbraw/zinc/96/12/55/428961255.db2.gz YRRWMRBLDZDOBE-HXUWFJFHSA-N 2 1 324.472 2.790 20 0 DFADMP Cc1cnn(CC[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000375748405 428961257 /nfs/dbraw/zinc/96/12/57/428961257.db2.gz YRRWMRBLDZDOBE-HXUWFJFHSA-N 2 1 324.472 2.790 20 0 DFADMP Cc1cnn(CC[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c1 ZINC000375748405 428961259 /nfs/dbraw/zinc/96/12/59/428961259.db2.gz YRRWMRBLDZDOBE-HXUWFJFHSA-N 2 1 324.472 2.790 20 0 DFADMP c1cc(-c2ccc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755791 428963408 /nfs/dbraw/zinc/96/34/08/428963408.db2.gz GADNDIGNTUHKBH-FRFSOERESA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[N@@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755791 428963413 /nfs/dbraw/zinc/96/34/13/428963413.db2.gz GADNDIGNTUHKBH-FRFSOERESA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755791 428963416 /nfs/dbraw/zinc/96/34/16/428963416.db2.gz GADNDIGNTUHKBH-FRFSOERESA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755791 428963419 /nfs/dbraw/zinc/96/34/19/428963419.db2.gz GADNDIGNTUHKBH-FRFSOERESA-N 2 1 312.417 2.586 20 0 DFADMP c1cc(-c2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)o2)n[nH]1 ZINC000375755791 428963422 /nfs/dbraw/zinc/96/34/22/428963422.db2.gz GADNDIGNTUHKBH-FRFSOERESA-N 2 1 312.417 2.586 20 0 DFADMP CC[C@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000349337100 428964184 /nfs/dbraw/zinc/96/41/84/428964184.db2.gz ZBCLHXBYXOKMFS-GOSISDBHSA-N 2 1 303.494 2.750 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423538445 428967085 /nfs/dbraw/zinc/96/70/85/428967085.db2.gz MVZXFFOWDOWGFX-YLJYHZDGSA-N 3 1 313.489 2.939 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2=CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423538445 428967092 /nfs/dbraw/zinc/96/70/92/428967092.db2.gz MVZXFFOWDOWGFX-YLJYHZDGSA-N 3 1 313.489 2.939 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2ccc(CO)cc2)n1 ZINC000375774827 428968387 /nfs/dbraw/zinc/96/83/87/428968387.db2.gz CGYTVXSWUDKWLX-GOSISDBHSA-N 2 1 311.429 2.959 20 0 DFADMP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423536336 428968655 /nfs/dbraw/zinc/96/86/55/428968655.db2.gz HITYBKZDDATUMD-XLIONFOSSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423536336 428968662 /nfs/dbraw/zinc/96/86/62/428968662.db2.gz HITYBKZDDATUMD-XLIONFOSSA-N 2 1 313.489 2.796 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000423538442 428968818 /nfs/dbraw/zinc/96/88/18/428968818.db2.gz MVZXFFOWDOWGFX-PXNSSMCTSA-N 3 1 313.489 2.939 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000423538442 428968822 /nfs/dbraw/zinc/96/88/22/428968822.db2.gz MVZXFFOWDOWGFX-PXNSSMCTSA-N 3 1 313.489 2.939 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)[C@@H](C)C1CCCCC1 ZINC000354327364 428970165 /nfs/dbraw/zinc/97/01/65/428970165.db2.gz GVSUZWVDCIBOKA-SOLBZPMBSA-N 2 1 323.525 2.768 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2OCCCO3)[C@H]2CCC[C@H]21 ZINC000375788248 428970394 /nfs/dbraw/zinc/97/03/94/428970394.db2.gz IPLJFRWRMOLJCR-IXDOHACOSA-N 2 1 316.445 2.810 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000375986175 429034685 /nfs/dbraw/zinc/03/46/85/429034685.db2.gz PGOWYDUZPCSRIN-IAGOWNOFSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000375986175 429034689 /nfs/dbraw/zinc/03/46/89/429034689.db2.gz PGOWYDUZPCSRIN-IAGOWNOFSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000375986175 429034695 /nfs/dbraw/zinc/03/46/95/429034695.db2.gz PGOWYDUZPCSRIN-IAGOWNOFSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[N@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000375986175 429034699 /nfs/dbraw/zinc/03/46/99/429034699.db2.gz PGOWYDUZPCSRIN-IAGOWNOFSA-N 2 1 303.450 2.718 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000423797561 429023543 /nfs/dbraw/zinc/02/35/43/429023543.db2.gz HXVLVSPADVOSPO-KBAYOESNSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)OCCOC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000451951923 429025488 /nfs/dbraw/zinc/02/54/88/429025488.db2.gz DWEBVDPUEWAFHV-QGZVFWFLSA-N 2 1 312.498 2.767 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)NCC[N@@H+](C)C1CCCC1)c1ccccc1 ZINC000433343967 429026603 /nfs/dbraw/zinc/02/66/03/429026603.db2.gz PSGPKOUSMSGTED-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375814877 428986321 /nfs/dbraw/zinc/98/63/21/428986321.db2.gz NSRGTMWXBZBHMA-ARFHVFGLSA-N 2 1 320.481 2.947 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000375814877 428986330 /nfs/dbraw/zinc/98/63/30/428986330.db2.gz NSRGTMWXBZBHMA-ARFHVFGLSA-N 2 1 320.481 2.947 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@@H+](C3CCCCCC3)C2)CC1 ZINC000363816324 428997508 /nfs/dbraw/zinc/99/75/08/428997508.db2.gz DFQQYWCLSODBCQ-DAWZGUTISA-N 2 1 321.509 2.820 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@@H]2CC[N@H+](C3CCCCCC3)C2)CC1 ZINC000363816324 428997511 /nfs/dbraw/zinc/99/75/11/428997511.db2.gz DFQQYWCLSODBCQ-DAWZGUTISA-N 2 1 321.509 2.820 20 0 DFADMP C[C@@H]1CN(CC(F)(F)F)CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000451873887 429002060 /nfs/dbraw/zinc/00/20/60/429002060.db2.gz PSXZJPRVBCDNML-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CN(CC(F)(F)F)CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000451873887 429002064 /nfs/dbraw/zinc/00/20/64/429002064.db2.gz PSXZJPRVBCDNML-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CN(CC(F)(F)F)CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000451873887 429002070 /nfs/dbraw/zinc/00/20/70/429002070.db2.gz PSXZJPRVBCDNML-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CN(CC(F)(F)F)CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000451873887 429002074 /nfs/dbraw/zinc/00/20/74/429002074.db2.gz PSXZJPRVBCDNML-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423724675 429005243 /nfs/dbraw/zinc/00/52/43/429005243.db2.gz HMDWGHQLMUYAFY-OWCLPIDISA-N 2 1 309.498 2.615 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000423726741 429005345 /nfs/dbraw/zinc/00/53/45/429005345.db2.gz KGGFXYQYEVIRMW-OWCLPIDISA-N 2 1 307.482 2.512 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000423720554 429005810 /nfs/dbraw/zinc/00/58/10/429005810.db2.gz ANSAIECZPMANHX-FSNPWBFUSA-N 2 1 321.509 2.758 20 0 DFADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375892126 429008197 /nfs/dbraw/zinc/00/81/97/429008197.db2.gz XVIGEDBYFQCOAD-GUDVDZBRSA-N 3 1 307.526 2.961 20 0 DFADMP CC1CC[NH+](CCCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)CC1 ZINC000375892126 429008201 /nfs/dbraw/zinc/00/82/01/429008201.db2.gz XVIGEDBYFQCOAD-GUDVDZBRSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccccc1-n1ccnn1 ZINC000375890356 429008434 /nfs/dbraw/zinc/00/84/34/429008434.db2.gz SCPHKPRPIBJISS-JYJNAYRXSA-N 2 1 311.433 2.545 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000421681647 429009730 /nfs/dbraw/zinc/00/97/30/429009730.db2.gz YOXSYEKONOWJAB-ABHNRTSZSA-N 2 1 317.477 2.668 20 0 DFADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000433231949 429013454 /nfs/dbraw/zinc/01/34/54/429013454.db2.gz ZJSOEZXPMWTYQU-KZNAEPCWSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000433231949 429013459 /nfs/dbraw/zinc/01/34/59/429013459.db2.gz ZJSOEZXPMWTYQU-KZNAEPCWSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000433231949 429013471 /nfs/dbraw/zinc/01/34/71/429013471.db2.gz ZJSOEZXPMWTYQU-KZNAEPCWSA-N 2 1 319.493 2.527 20 0 DFADMP CCC[C@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354828423 429014355 /nfs/dbraw/zinc/01/43/55/429014355.db2.gz BIPPOCJIOLWEGV-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cnn1C(C)C ZINC000423473003 429093201 /nfs/dbraw/zinc/09/32/01/429093201.db2.gz IHDCEXAZASUSJM-AAEUAGOBSA-N 2 1 300.397 2.668 20 0 DFADMP CC[C@H]([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423466281 429093260 /nfs/dbraw/zinc/09/32/60/429093260.db2.gz NHZWTDWIAGHJHK-INDMIFKZSA-N 2 1 301.478 2.757 20 0 DFADMP COC[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(Cl)cc1 ZINC000423475895 429094176 /nfs/dbraw/zinc/09/41/76/429094176.db2.gz KTVLHOVCFYTKHN-GXTWGEPZSA-N 2 1 318.795 2.862 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1F ZINC000423475992 429095152 /nfs/dbraw/zinc/09/51/52/429095152.db2.gz LAAYFQBMQFWLHS-ZYHUDNBSSA-N 2 1 302.340 2.730 20 0 DFADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)CCCCC1 ZINC000421859320 429040508 /nfs/dbraw/zinc/04/05/08/429040508.db2.gz SKAXTVVTWXWYEK-IRXDYDNUSA-N 2 1 312.498 2.815 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H](Cn2cccn2)C(C)C)cn1 ZINC000284303283 274859541 /nfs/dbraw/zinc/85/95/41/274859541.db2.gz YTBZOHJAOXLFTM-QGZVFWFLSA-N 2 1 324.432 2.587 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000376063160 429050904 /nfs/dbraw/zinc/05/09/04/429050904.db2.gz XZLJNIBBYZUUKM-ZACQAIPSSA-N 2 1 317.433 2.827 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H]1c1ccccc1 ZINC000423276839 429056053 /nfs/dbraw/zinc/05/60/53/429056053.db2.gz NKAKYCXZVMLDLW-FCGDIQPGSA-N 2 1 301.478 2.929 20 0 DFADMP CN1CC[C@H]([NH2+][C@@H]2CCCC[C@@H]2C[NH3+])C[C@@H]1c1ccccc1 ZINC000423276839 429056056 /nfs/dbraw/zinc/05/60/56/429056056.db2.gz NKAKYCXZVMLDLW-FCGDIQPGSA-N 2 1 301.478 2.929 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC[NH2+]C2CCCCCC2)C12CCOCC2 ZINC000423285474 429057375 /nfs/dbraw/zinc/05/73/75/429057375.db2.gz YDNSRPTVOXZEAW-ZWKOTPCHSA-N 2 1 324.509 2.863 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CC[NH2+]C2CCCCCC2)C12CCOCC2 ZINC000423285473 429058292 /nfs/dbraw/zinc/05/82/92/429058292.db2.gz YDNSRPTVOXZEAW-ROUUACIJSA-N 2 1 324.509 2.863 20 0 DFADMP CC(C)([NH3+])CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289193 429058650 /nfs/dbraw/zinc/05/86/50/429058650.db2.gz WLCGUOYDNOWAME-FGTMMUONSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCC[N@H+]2CCCC[C@H]2C)cc1 ZINC000423311469 429060179 /nfs/dbraw/zinc/06/01/79/429060179.db2.gz TYPGOKBXRMQDNK-HUUCEWRRSA-N 2 1 303.450 2.701 20 0 DFADMP Clc1cc2c(c(Cl)c1)CC[C@@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423486714 429096984 /nfs/dbraw/zinc/09/69/84/429096984.db2.gz BYLIMUXTMNSHGK-NHYWBVRUSA-N 2 1 315.244 2.949 20 0 DFADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC[C@H]2CCCCO2)c(F)c1 ZINC000423304528 429061212 /nfs/dbraw/zinc/06/12/12/429061212.db2.gz OKZPVOFIHHCHMO-XJKSGUPXSA-N 2 1 322.424 2.644 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)CC(=O)Nc1ccccc1OC ZINC000423303975 429061406 /nfs/dbraw/zinc/06/14/06/429061406.db2.gz XVQCFHJQFYRSRL-UONOGXRCSA-N 2 1 307.438 2.519 20 0 DFADMP COc1ccc(C[C@@H]([NH2+][C@H](C)C[NH3+])c2ccc(OC)cc2)cc1 ZINC000423322604 429061995 /nfs/dbraw/zinc/06/19/95/429061995.db2.gz JARFNIDYONEEKV-AUUYWEPGSA-N 2 1 314.429 2.924 20 0 DFADMP [NH3+][C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C1CC1 ZINC000423315857 429063681 /nfs/dbraw/zinc/06/36/81/429063681.db2.gz JDPAHFLMIHQEAV-NMLBUPMWSA-N 2 1 313.489 2.757 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423318589 429063734 /nfs/dbraw/zinc/06/37/34/429063734.db2.gz CNUQTLQNVXWLAG-WBVHZDCISA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000423323517 429064362 /nfs/dbraw/zinc/06/43/62/429064362.db2.gz HZMRQHGFJTWWEU-AEFFLSMTSA-N 2 1 323.525 2.912 20 0 DFADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC2([NH3+])CCC2)cc1 ZINC000423325145 429065473 /nfs/dbraw/zinc/06/54/73/429065473.db2.gz LADCOHVREWLKKN-SFHVURJKSA-N 2 1 311.429 2.845 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323548 429065978 /nfs/dbraw/zinc/06/59/78/429065978.db2.gz ICFOXDROZKKVKV-HKUYNNGSSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323548 429065980 /nfs/dbraw/zinc/06/59/80/429065980.db2.gz ICFOXDROZKKVKV-HKUYNNGSSA-N 2 1 315.505 2.876 20 0 DFADMP COc1cc(F)c([C@@H](C)[NH2+]C[C@]2(C)CCC[NH2+]C2)cc1OC ZINC000423345281 429069293 /nfs/dbraw/zinc/06/92/93/429069293.db2.gz YNTMWWGCWOJWIX-SJKOYZFVSA-N 2 1 310.413 2.883 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2[NH2+]CCCC2(C)C)c1 ZINC000423356674 429071951 /nfs/dbraw/zinc/07/19/51/429071951.db2.gz RCIQQRMCKMYACB-KRWDZBQOSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@@H](C)[NH3+] ZINC000423359877 429072018 /nfs/dbraw/zinc/07/20/18/429072018.db2.gz PUHYRJOPVYTESO-MLHJIOFPSA-N 2 1 323.525 2.719 20 0 DFADMP CC(C)[C@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H](C)[NH3+] ZINC000423356372 429072479 /nfs/dbraw/zinc/07/24/79/429072479.db2.gz GPVDULMDGMCADP-QAPCUYQASA-N 2 1 319.493 2.762 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H](C)[NH3+] ZINC000423357507 429072555 /nfs/dbraw/zinc/07/25/55/429072555.db2.gz IEOKXZRUSDOPHO-ATLSCFEFSA-N 2 1 317.477 2.558 20 0 DFADMP CC(C)[C@@H](C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H](C)[NH3+] ZINC000423356370 429072866 /nfs/dbraw/zinc/07/28/66/429072866.db2.gz GPVDULMDGMCADP-CRAIPNDOSA-N 2 1 319.493 2.762 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423365530 429074213 /nfs/dbraw/zinc/07/42/13/429074213.db2.gz BVVXVLSFHMFTFQ-LRDDRELGSA-N 2 1 309.404 2.664 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423377245 429076253 /nfs/dbraw/zinc/07/62/53/429076253.db2.gz FCJZCFDOWDWNIA-SWKXRBFHSA-N 2 1 310.482 2.866 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423383175 429077749 /nfs/dbraw/zinc/07/77/49/429077749.db2.gz GXPXLNBIJXPRQF-SJORKVTESA-N 2 1 317.477 2.655 20 0 DFADMP CN(C(=O)CC[C@@H]([NH3+])CC1CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424141373 429097902 /nfs/dbraw/zinc/09/79/02/429097902.db2.gz CKNXYJYJXRAVNG-SJLPKXTDSA-N 2 1 321.509 2.759 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)CC[NH2+]1 ZINC000423390507 429078917 /nfs/dbraw/zinc/07/89/17/429078917.db2.gz WFALQXGTOKQPJM-VKJFTORMSA-N 2 1 310.445 2.980 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423395703 429079838 /nfs/dbraw/zinc/07/98/38/429079838.db2.gz NLMNQKOFERUJJX-ZTFGCOKTSA-N 2 1 310.445 2.837 20 0 DFADMP COC[C@]1(C[NH2+][C@@H]2C[C@@H](c3ccccc3)C2(C)C)CCC[NH2+]1 ZINC000423413260 429083567 /nfs/dbraw/zinc/08/35/67/429083567.db2.gz JZNMECJBENNRAN-YQVWRLOYSA-N 2 1 302.462 2.927 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423427160 429086897 /nfs/dbraw/zinc/08/68/97/429086897.db2.gz IICXTVQAGOCLFC-WBVHZDCISA-N 2 1 317.477 2.513 20 0 DFADMP COc1cc2[nH+]ccc(N[C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413155894 429152065 /nfs/dbraw/zinc/15/20/65/429152065.db2.gz DEBISQVIXFQRIF-QWHCGFSZSA-N 2 1 315.417 2.569 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H](C[NH3+])C2CCCC2)C[N@H+]1Cc1ccccc1 ZINC000423497081 429098054 /nfs/dbraw/zinc/09/80/54/429098054.db2.gz FYXQYIUIFQDRQE-ATZDWAIDSA-N 2 1 301.478 2.757 20 0 DFADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCS2 ZINC000423493035 429098875 /nfs/dbraw/zinc/09/88/75/429098875.db2.gz PHALKZILORYXIC-GOEBONIOSA-N 2 1 306.475 2.808 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423493440 429099796 /nfs/dbraw/zinc/09/97/96/429099796.db2.gz QBLOHOFQLUIQNG-BVBHFADKSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000423493440 429099800 /nfs/dbraw/zinc/09/98/00/429099800.db2.gz QBLOHOFQLUIQNG-BVBHFADKSA-N 3 1 301.478 2.614 20 0 DFADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000376361139 429100127 /nfs/dbraw/zinc/10/01/27/429100127.db2.gz RODMNRBDSBPCGU-OKZBNKHCSA-N 2 1 312.498 2.671 20 0 DFADMP C1CC(C([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCC2)C1 ZINC000423500380 429100900 /nfs/dbraw/zinc/10/09/00/429100900.db2.gz ACYIBPVFXHABDT-UHFFFAOYSA-N 2 1 305.510 2.761 20 0 DFADMP Fc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423505945 429101498 /nfs/dbraw/zinc/10/14/98/429101498.db2.gz IFINXBBEBQLZSD-FAFZWHIHSA-N 2 1 317.452 2.619 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423501718 429101802 /nfs/dbraw/zinc/10/18/02/429101802.db2.gz LMYUXNQIYHOFTK-YJYMSZOUSA-N 2 1 312.461 2.762 20 0 DFADMP CCC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccn1 ZINC000423511134 429103685 /nfs/dbraw/zinc/10/36/85/429103685.db2.gz NJGQLHZAVCPRRU-TVPLGVNVSA-N 2 1 316.493 2.729 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000423510606 429103857 /nfs/dbraw/zinc/10/38/57/429103857.db2.gz JWAAXBHJUCJILF-CZUORRHYSA-N 2 1 315.486 2.772 20 0 DFADMP C[C@@H](c1cnn(Cc2ccccc2)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423509909 429104028 /nfs/dbraw/zinc/10/40/28/429104028.db2.gz MZNZNYPMVVVALJ-JTDSTZFVSA-N 2 1 312.461 2.909 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000423508869 429104349 /nfs/dbraw/zinc/10/43/49/429104349.db2.gz QZJIAEYKSYORBB-NCXUSEDFSA-N 2 1 301.478 2.711 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1OCC ZINC000423514764 429105146 /nfs/dbraw/zinc/10/51/46/429105146.db2.gz MRRCMHWMMJOJMD-ZBFHGGJFSA-N 2 1 322.449 2.513 20 0 DFADMP CCn1cc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cn1 ZINC000423520696 429105358 /nfs/dbraw/zinc/10/53/58/429105358.db2.gz FPXWOIXSNZPCJP-IPQZGBMFSA-N 2 1 302.466 2.707 20 0 DFADMP COc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1OC ZINC000423515352 429107202 /nfs/dbraw/zinc/10/72/02/429107202.db2.gz VGVNTWUPJYSMOR-UVBSCNOISA-N 2 1 306.450 2.990 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000423523546 429107785 /nfs/dbraw/zinc/10/77/85/429107785.db2.gz WCECEGKYAVADOI-FAEJEUNOSA-N 2 1 317.477 2.562 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCC[NH2+]C2CC2)cc(OC)c1OC ZINC000423529315 429110224 /nfs/dbraw/zinc/11/02/24/429110224.db2.gz POWYOZMGFGVJSY-LBPRGKRZSA-N 2 1 308.422 2.505 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC2 ZINC000423531478 429110474 /nfs/dbraw/zinc/11/04/74/429110474.db2.gz QLNGZBNJFXRKJV-SESVDKBCSA-N 2 1 322.452 2.898 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424282767 429119575 /nfs/dbraw/zinc/11/95/75/429119575.db2.gz AIFBBAMPHCDMLK-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CCC(=O)NCC1CCCCC1)CC[NH2+]CC2 ZINC000424283820 429119595 /nfs/dbraw/zinc/11/95/95/429119595.db2.gz CGZXUGZNLCZSLT-INIZCTEOSA-N 2 1 321.509 2.537 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424284186 429119699 /nfs/dbraw/zinc/11/96/99/429119699.db2.gz CZNZSAJTPPKMMI-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@@H]1CC2(C[N@@H+]1CC(=O)Nc1ccccc1Cl)CC[NH2+]CC2 ZINC000424286048 429119737 /nfs/dbraw/zinc/11/97/37/429119737.db2.gz GUWIIBZZBMNDPV-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1ccccc1Cl)CC[NH2+]CC2 ZINC000424286048 429119741 /nfs/dbraw/zinc/11/97/41/429119741.db2.gz GUWIIBZZBMNDPV-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)NCC1CCCCC1)CC[NH2+]CC2 ZINC000424283821 429120073 /nfs/dbraw/zinc/12/00/73/429120073.db2.gz CGZXUGZNLCZSLT-MRXNPFEDSA-N 2 1 321.509 2.537 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424368972 429132220 /nfs/dbraw/zinc/13/22/20/429132220.db2.gz AZIMQBQJACVUMG-AWEZNQCLSA-N 2 1 301.434 2.609 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cn1 ZINC000424368510 429132578 /nfs/dbraw/zinc/13/25/78/429132578.db2.gz ADEVJSJCGCTHLV-MRXNPFEDSA-N 2 1 316.493 2.890 20 0 DFADMP CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435370176 429133099 /nfs/dbraw/zinc/13/30/99/429133099.db2.gz HMBBYVFIOHYYBZ-QGZVFWFLSA-N 2 1 315.465 2.976 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000494641937 429134133 /nfs/dbraw/zinc/13/41/33/429134133.db2.gz UROQYFQUVQSOPH-UHFFFAOYSA-N 2 1 323.481 2.763 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cnc3ccc(Cl)cn13)CC[NH2+]CC2 ZINC000424381176 429134390 /nfs/dbraw/zinc/13/43/90/429134390.db2.gz QPJJXRYQUWZEMH-ZDUSSCGKSA-N 2 1 318.852 2.952 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc1OC ZINC000424380364 429134634 /nfs/dbraw/zinc/13/46/34/429134634.db2.gz WYVCXNJFUPRODE-NUEKZKHPSA-N 2 1 322.449 2.641 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494642834 429134988 /nfs/dbraw/zinc/13/49/88/429134988.db2.gz KYSXHGFRFUOMES-JKSUJKDBSA-N 2 1 309.498 2.535 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000435377267 429137671 /nfs/dbraw/zinc/13/76/71/429137671.db2.gz ZSCIIXYJEXDTML-OAHLLOKOSA-N 2 1 311.429 2.799 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cc(-c3ccncc3)ccc2OC)C1 ZINC000435377267 429137673 /nfs/dbraw/zinc/13/76/73/429137673.db2.gz ZSCIIXYJEXDTML-OAHLLOKOSA-N 2 1 311.429 2.799 20 0 DFADMP CC[N@@H+](Cc1ccc(N2CCCC2)nc1)[C@H]1CCC[NH2+]CC1 ZINC000435394662 429139647 /nfs/dbraw/zinc/13/96/47/429139647.db2.gz OMULEIKWTJWDEI-KRWDZBQOSA-N 2 1 302.466 2.646 20 0 DFADMP c1csc(C[N@H+](C[C@@H]2CCCOC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435425277 429139968 /nfs/dbraw/zinc/13/99/68/429139968.db2.gz CEIYIUOJNGUPBS-GJZGRUSLSA-N 2 1 321.490 2.514 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)cnc21 ZINC000435445248 429141899 /nfs/dbraw/zinc/14/18/99/429141899.db2.gz DLUGCUFCYINZBT-INIZCTEOSA-N 2 1 301.438 2.586 20 0 DFADMP c1csc(C[N@H+](CC2CCOCC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435437367 429142047 /nfs/dbraw/zinc/14/20/47/429142047.db2.gz JLGXLSCZLQHKLE-HNNXBMFYSA-N 2 1 321.490 2.514 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@H]1C ZINC000424437817 429142265 /nfs/dbraw/zinc/14/22/65/429142265.db2.gz OTNDUMGYRFCZGW-RHSMWYFYSA-N 2 1 318.465 2.790 20 0 DFADMP c1cc(C[N@H+](C[C@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)cs1 ZINC000435694978 429159758 /nfs/dbraw/zinc/15/97/58/429159758.db2.gz MUOJKHIPZUAOEU-ZBFHGGJFSA-N 2 1 306.475 2.729 20 0 DFADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000487527292 429159974 /nfs/dbraw/zinc/15/99/74/429159974.db2.gz ZVLZRWGYNIMVTM-FZMZJTMJSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000487527292 429159976 /nfs/dbraw/zinc/15/99/76/429159976.db2.gz ZVLZRWGYNIMVTM-FZMZJTMJSA-N 2 1 309.841 2.538 20 0 DFADMP Cc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000494937211 429165004 /nfs/dbraw/zinc/16/50/04/429165004.db2.gz DMYABGIESZCNEF-OALUTQOASA-N 2 1 302.462 2.883 20 0 DFADMP Cc1ccccc1[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000494937211 429165005 /nfs/dbraw/zinc/16/50/05/429165005.db2.gz DMYABGIESZCNEF-OALUTQOASA-N 2 1 302.462 2.883 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000494958408 429166325 /nfs/dbraw/zinc/16/63/25/429166325.db2.gz VYTMLMKIWGGUOT-DUMMIQTOSA-N 2 1 303.450 2.528 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@H](O)CC(F)(F)F)n1 ZINC000364286899 429176689 /nfs/dbraw/zinc/17/66/89/429176689.db2.gz ZMFPXKWKOOIRGP-CHWSQXEVSA-N 2 1 317.355 2.580 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)[C@@H]1C ZINC000495081283 429177472 /nfs/dbraw/zinc/17/74/72/429177472.db2.gz GAJCHVFUMLPVRG-FDMITFGQSA-N 2 1 302.462 2.504 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)[C@@H]1C ZINC000495081283 429177473 /nfs/dbraw/zinc/17/74/73/429177473.db2.gz GAJCHVFUMLPVRG-FDMITFGQSA-N 2 1 302.462 2.504 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436272459 429193785 /nfs/dbraw/zinc/19/37/85/429193785.db2.gz HLIXAMRWNJCKGD-CYBMUJFWSA-N 2 1 304.463 2.960 20 0 DFADMP C(N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1CCC[NH+]1C1CCCCC1 ZINC000373904151 275395517 /nfs/dbraw/zinc/39/55/17/275395517.db2.gz NNGQFUGPOITXJC-BHIYHBOVSA-N 2 1 305.510 3.000 20 0 DFADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373904151 275395519 /nfs/dbraw/zinc/39/55/19/275395519.db2.gz NNGQFUGPOITXJC-BHIYHBOVSA-N 2 1 305.510 3.000 20 0 DFADMP C(N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373904151 275395520 /nfs/dbraw/zinc/39/55/20/275395520.db2.gz NNGQFUGPOITXJC-BHIYHBOVSA-N 2 1 305.510 3.000 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1CC ZINC000489049289 429215543 /nfs/dbraw/zinc/21/55/43/429215543.db2.gz XYHZOZGETSEDEP-MSOLQXFVSA-N 2 1 323.525 2.974 20 0 DFADMP CC(C)COC(=O)N1CCC([NH2+]CCC[N@@H+](C)C(C)C)CC1 ZINC000495615356 429231685 /nfs/dbraw/zinc/23/16/85/429231685.db2.gz ALMTVTACYJREDP-UHFFFAOYSA-N 2 1 313.486 2.563 20 0 DFADMP C[N@@H+](CC1CC[NH+](C)CC1)CC(C)(C)NC(=O)OC(C)(C)C ZINC000495312272 429198636 /nfs/dbraw/zinc/19/86/36/429198636.db2.gz LWMVIEQSUAUOTP-UHFFFAOYSA-N 2 1 313.486 2.563 20 0 DFADMP O=C1O[C@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC12CCC2 ZINC000365234695 429284950 /nfs/dbraw/zinc/28/49/50/429284950.db2.gz PJWLOFXRIOJVMG-IRXDYDNUSA-N 2 1 320.477 2.670 20 0 DFADMP O=C1O[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)CC12CCC2 ZINC000365234695 429284954 /nfs/dbraw/zinc/28/49/54/429284954.db2.gz PJWLOFXRIOJVMG-IRXDYDNUSA-N 2 1 320.477 2.670 20 0 DFADMP C[N@@H+](C[C@H]1CCCOC1)C1CCN(CCC(F)(F)F)CC1 ZINC000445260992 429285472 /nfs/dbraw/zinc/28/54/72/429285472.db2.gz GLKHKKQYOUFGPF-CYBMUJFWSA-N 2 1 308.388 2.762 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425407116 429286853 /nfs/dbraw/zinc/28/68/53/429286853.db2.gz OAZUNOGDSFGBMC-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCCn1ccnc1C ZINC000495640450 429236378 /nfs/dbraw/zinc/23/63/78/429236378.db2.gz LTXRANPSAFIQKP-MRXNPFEDSA-N 2 1 322.453 2.524 20 0 DFADMP CCN(C)C(=O)OC[C@H]1CCCC[N@H+]1CCCn1cc[nH+]c1C ZINC000495640450 429236386 /nfs/dbraw/zinc/23/63/86/429236386.db2.gz LTXRANPSAFIQKP-MRXNPFEDSA-N 2 1 322.453 2.524 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(SC)cc1OC ZINC000442931678 429241213 /nfs/dbraw/zinc/24/12/13/429241213.db2.gz WKBFTPZSPWTYBR-CYBMUJFWSA-N 2 1 324.490 2.987 20 0 DFADMP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364671973 429245488 /nfs/dbraw/zinc/24/54/88/429245488.db2.gz LTPHWQDSOTUXBR-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364671973 429245491 /nfs/dbraw/zinc/24/54/91/429245491.db2.gz LTPHWQDSOTUXBR-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000364664409 429246528 /nfs/dbraw/zinc/24/65/28/429246528.db2.gz YRKDJVLASPGAIX-OWCLPIDISA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000364664409 429246531 /nfs/dbraw/zinc/24/65/31/429246531.db2.gz YRKDJVLASPGAIX-OWCLPIDISA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364664409 429246535 /nfs/dbraw/zinc/24/65/35/429246535.db2.gz YRKDJVLASPGAIX-OWCLPIDISA-N 2 1 308.466 2.524 20 0 DFADMP CC(C)(C)OC(=O)CCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364664409 429246538 /nfs/dbraw/zinc/24/65/38/429246538.db2.gz YRKDJVLASPGAIX-OWCLPIDISA-N 2 1 308.466 2.524 20 0 DFADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1scnc1C ZINC000489514183 429249086 /nfs/dbraw/zinc/24/90/86/429249086.db2.gz QHSULGZAYUPLTE-UHFFFAOYSA-N 2 1 322.478 2.885 20 0 DFADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1scnc1C ZINC000489514183 429249089 /nfs/dbraw/zinc/24/90/89/429249089.db2.gz QHSULGZAYUPLTE-UHFFFAOYSA-N 2 1 322.478 2.885 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)C[C@@H](C)NC(=O)OC(C)(C)C ZINC000495716046 429252131 /nfs/dbraw/zinc/25/21/31/429252131.db2.gz GKLHKVKVHMSMRX-UONOGXRCSA-N 2 1 324.469 2.863 20 0 DFADMP CCCCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCn1ccnc1 ZINC000495748733 429257046 /nfs/dbraw/zinc/25/70/46/429257046.db2.gz UJWDGQLDRSHYPF-INIZCTEOSA-N 2 1 322.453 2.654 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495801428 429269699 /nfs/dbraw/zinc/26/96/99/429269699.db2.gz CQBVJYAXUKECOS-CQSZACIVSA-N 2 1 313.486 2.562 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCC[N@H+]3C3CC3)ccc21 ZINC000456314423 429274059 /nfs/dbraw/zinc/27/40/59/429274059.db2.gz LSNRSQAWNVMHBH-ZWKOTPCHSA-N 2 1 313.445 2.801 20 0 DFADMP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000425359324 429276575 /nfs/dbraw/zinc/27/65/75/429276575.db2.gz PQAUPMUUDJBUBP-IRXDYDNUSA-N 2 1 306.475 2.502 20 0 DFADMP C[C@@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491024682 429319634 /nfs/dbraw/zinc/31/96/34/429319634.db2.gz XWHQBXGAHFWTSQ-IEBWSBKVSA-N 2 1 307.526 2.915 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)C[C@@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000497272718 429322468 /nfs/dbraw/zinc/32/24/68/429322468.db2.gz TUFFGCHMKKFKJZ-QGZVFWFLSA-N 2 1 313.486 2.517 20 0 DFADMP CCOCC[C@@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000365464242 429324141 /nfs/dbraw/zinc/32/41/41/429324141.db2.gz QICHCGCITCLMHY-RDTXWAMCSA-N 2 1 317.433 2.619 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)Cc1coc2ccccc12 ZINC000449074040 429325395 /nfs/dbraw/zinc/32/53/95/429325395.db2.gz BDYFLOKEQWWYLW-OAHLLOKOSA-N 2 1 304.434 2.922 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@H]3CSC[C@@H]3C)CC2)oc1C ZINC000449120309 429335761 /nfs/dbraw/zinc/33/57/61/429335761.db2.gz CMJMNSVGDFYRKW-LRDDRELGSA-N 2 1 323.506 2.845 20 0 DFADMP COC(=O)[C@H](CC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000425422336 429292076 /nfs/dbraw/zinc/29/20/76/429292076.db2.gz NABKZFDTNJUJIV-BPQIPLTHSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1)c1ccccc1 ZINC000425422336 429292078 /nfs/dbraw/zinc/29/20/78/429292078.db2.gz NABKZFDTNJUJIV-BPQIPLTHSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000425422336 429292083 /nfs/dbraw/zinc/29/20/83/429292083.db2.gz NABKZFDTNJUJIV-BPQIPLTHSA-N 2 1 318.461 2.748 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000425422336 429292084 /nfs/dbraw/zinc/29/20/84/429292084.db2.gz NABKZFDTNJUJIV-BPQIPLTHSA-N 2 1 318.461 2.748 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC000495922938 429295004 /nfs/dbraw/zinc/29/50/04/429295004.db2.gz XGBQTYKRWNDSHN-CQSZACIVSA-N 2 1 322.453 2.569 20 0 DFADMP CCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCc1ccc(C)nc1 ZINC000495947340 429297919 /nfs/dbraw/zinc/29/79/19/429297919.db2.gz POAYNRWQQFUVAW-KRWDZBQOSA-N 2 1 319.449 2.923 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)CCCO1 ZINC000365315344 429299145 /nfs/dbraw/zinc/29/91/45/429299145.db2.gz GJSIJJVDSBPDJN-FCGDIQPGSA-N 2 1 324.509 2.672 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449338243 429392775 /nfs/dbraw/zinc/39/27/75/429392775.db2.gz UOUCQIZCJAHWFX-BRWVUGGUSA-N 2 1 309.498 2.665 20 0 DFADMP C[N@H+]1CCC[C@H](N2CCN(Cc3sccc3Cl)CC2)C1 ZINC000365878837 429394611 /nfs/dbraw/zinc/39/46/11/429394611.db2.gz RZNQWMJUFXVZNP-ZDUSSCGKSA-N 2 1 313.898 2.613 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](C(C)C)C1 ZINC000457121306 429408207 /nfs/dbraw/zinc/40/82/07/429408207.db2.gz ODYVVJQSDZSSLM-KRWDZBQOSA-N 2 1 311.514 2.830 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000449166389 429349080 /nfs/dbraw/zinc/34/90/80/429349080.db2.gz CNCNNQSODHYWPD-WQVCFCJDSA-N 2 1 323.868 2.590 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000449166389 429349082 /nfs/dbraw/zinc/34/90/82/429349082.db2.gz CNCNNQSODHYWPD-WQVCFCJDSA-N 2 1 323.868 2.590 20 0 DFADMP c1c(C[NH2+]Cc2ccc3ncccc3c2)onc1C1CC[NH2+]CC1 ZINC000425895913 429349937 /nfs/dbraw/zinc/34/99/37/429349937.db2.gz LTWGOAASATZINQ-UHFFFAOYSA-N 2 1 322.412 2.980 20 0 DFADMP COc1cc(C)cc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425895933 429350911 /nfs/dbraw/zinc/35/09/11/429350911.db2.gz LZGQZUQIFNIBLE-UHFFFAOYSA-N 2 1 315.417 2.748 20 0 DFADMP C[C@H]1[C@H](CO)CC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000425977485 429356631 /nfs/dbraw/zinc/35/66/31/429356631.db2.gz VITZGDRHLBVUHJ-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1[C@H](CO)CC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000425977485 429356637 /nfs/dbraw/zinc/35/66/37/429356637.db2.gz VITZGDRHLBVUHJ-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1[C@H](CO)CC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000425977485 429356642 /nfs/dbraw/zinc/35/66/42/429356642.db2.gz VITZGDRHLBVUHJ-WMZOPIPTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000449317045 429385397 /nfs/dbraw/zinc/38/53/97/429385397.db2.gz AIZOPSVPUPDYSK-RVKKMQEKSA-N 2 1 315.461 2.855 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCC1(CO)CC1 ZINC000449579929 429454243 /nfs/dbraw/zinc/45/42/43/429454243.db2.gz LAYFNCSGHSMKHH-UHFFFAOYSA-N 2 1 304.478 2.897 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366532990 429471395 /nfs/dbraw/zinc/47/13/95/429471395.db2.gz GPIKUZMOPLYXLO-LJQANCHMSA-N 2 1 310.445 2.708 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366532990 429471400 /nfs/dbraw/zinc/47/14/00/429471400.db2.gz GPIKUZMOPLYXLO-LJQANCHMSA-N 2 1 310.445 2.708 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000518397092 429421344 /nfs/dbraw/zinc/42/13/44/429421344.db2.gz OOABECQTIFVHJK-UXLLHSPISA-N 2 1 307.507 2.871 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@]2(CCN(C)C2)C1 ZINC000366532990 429471413 /nfs/dbraw/zinc/47/14/13/429471413.db2.gz GPIKUZMOPLYXLO-LJQANCHMSA-N 3 1 310.445 2.708 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136425 429474358 /nfs/dbraw/zinc/47/43/58/429474358.db2.gz SRZQRZIHPCTMOQ-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136425 429474362 /nfs/dbraw/zinc/47/43/62/429474362.db2.gz SRZQRZIHPCTMOQ-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136425 429474367 /nfs/dbraw/zinc/47/43/67/429474367.db2.gz SRZQRZIHPCTMOQ-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136425 429474370 /nfs/dbraw/zinc/47/43/70/429474370.db2.gz SRZQRZIHPCTMOQ-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CCC[NH2+]C1 ZINC000519646623 429475299 /nfs/dbraw/zinc/47/52/99/429475299.db2.gz KRJSOWGQPIAOJE-INIZCTEOSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC000427928567 429478243 /nfs/dbraw/zinc/47/82/43/429478243.db2.gz DGVZCCNCFOVEJU-KRWDZBQOSA-N 2 1 323.525 2.591 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428034693 429485237 /nfs/dbraw/zinc/48/52/37/429485237.db2.gz TXYPKBAIWMXFKT-JSGCOSHPSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000428034693 429485243 /nfs/dbraw/zinc/48/52/43/429485243.db2.gz TXYPKBAIWMXFKT-JSGCOSHPSA-N 2 1 314.351 2.768 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)n1 ZINC000428041067 429486248 /nfs/dbraw/zinc/48/62/48/429486248.db2.gz NLRAECARMOILHD-PKOBYXMFSA-N 2 1 310.445 2.673 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1Cc1ccccc1 ZINC000519803623 429489892 /nfs/dbraw/zinc/48/98/92/429489892.db2.gz SQEKWTWFHNPXKJ-IPMKNSEASA-N 2 1 304.478 2.690 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000449735024 429491713 /nfs/dbraw/zinc/49/17/13/429491713.db2.gz FPXBIJQOPIUBCJ-OMQSBVIBSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449737720 429493421 /nfs/dbraw/zinc/49/34/21/429493421.db2.gz SZXHEBRXCKNBGO-XGXHKWSGSA-N 2 1 302.462 2.648 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)[C@@H](C)[C@@H]1OC ZINC000366727213 429500941 /nfs/dbraw/zinc/50/09/41/429500941.db2.gz CEFOEKACQVPZKX-WTTBNOFXSA-N 2 1 305.466 2.875 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CCNC(=O)[C@H]2c2ccccc2C)cn1 ZINC000428274393 429505903 /nfs/dbraw/zinc/50/59/03/429505903.db2.gz ICYYLIOPIBFLKU-LJQANCHMSA-N 2 1 323.440 2.804 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCNC(=O)[C@H]2c2ccccc2C)cn1 ZINC000428274393 429505907 /nfs/dbraw/zinc/50/59/07/429505907.db2.gz ICYYLIOPIBFLKU-LJQANCHMSA-N 2 1 323.440 2.804 20 0 DFADMP c1ccc2c(c1)CCN2CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000428254035 429506344 /nfs/dbraw/zinc/50/63/44/429506344.db2.gz FMYZTGSERKSINC-GOSISDBHSA-N 2 1 313.489 2.857 20 0 DFADMP COc1cc(F)cc(C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000449783044 429510664 /nfs/dbraw/zinc/51/06/64/429510664.db2.gz MVZCPRYGSWYFGY-IAOVAPTHSA-N 2 1 306.425 2.982 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366782174 429512010 /nfs/dbraw/zinc/51/20/10/429512010.db2.gz ASQJNCXOJIMEAP-MRXNPFEDSA-N 2 1 321.428 2.729 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)/C=C/C[NH+](C)C)CC1)CC(C)C ZINC000492323615 429513258 /nfs/dbraw/zinc/51/32/58/429513258.db2.gz OBACEYJQQCVFGP-BQYQJAHWSA-N 2 1 323.525 2.711 20 0 DFADMP C[NH+]1CC[C@H](NC[C@H]2CCC[N@H+](C)C2)C[C@@H]1c1ccccc1 ZINC000521414165 429550245 /nfs/dbraw/zinc/55/02/45/429550245.db2.gz YTJZGJUWBVGUFP-NZSAHSFTSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000521414165 429550250 /nfs/dbraw/zinc/55/02/50/429550250.db2.gz YTJZGJUWBVGUFP-NZSAHSFTSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000521414165 429550254 /nfs/dbraw/zinc/55/02/54/429550254.db2.gz YTJZGJUWBVGUFP-NZSAHSFTSA-N 3 1 301.478 2.753 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)c1 ZINC000366977101 429551198 /nfs/dbraw/zinc/55/11/98/429551198.db2.gz LJZXIVGZBNXVGD-SJLPKXTDSA-N 2 1 315.461 2.870 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](c3cccnc3)C2)CC1 ZINC000367058108 429567423 /nfs/dbraw/zinc/56/74/23/429567423.db2.gz PWWXEKKBOGHDLC-VQIMIIECSA-N 2 1 317.477 2.808 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000429035180 429575430 /nfs/dbraw/zinc/57/54/30/429575430.db2.gz LCSVTRKMMMWHRF-LJQANCHMSA-N 2 1 300.446 2.928 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000429035180 429575433 /nfs/dbraw/zinc/57/54/33/429575433.db2.gz LCSVTRKMMMWHRF-LJQANCHMSA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000429035180 429575437 /nfs/dbraw/zinc/57/54/37/429575437.db2.gz LCSVTRKMMMWHRF-LJQANCHMSA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000429035180 429575440 /nfs/dbraw/zinc/57/54/40/429575440.db2.gz LCSVTRKMMMWHRF-LJQANCHMSA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000367117531 429580958 /nfs/dbraw/zinc/58/09/58/429580958.db2.gz QFTZKBOLAMMFPI-KRWDZBQOSA-N 2 1 321.896 2.799 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000367117531 429580963 /nfs/dbraw/zinc/58/09/63/429580963.db2.gz QFTZKBOLAMMFPI-KRWDZBQOSA-N 2 1 321.896 2.799 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000367110050 429581693 /nfs/dbraw/zinc/58/16/93/429581693.db2.gz LHRUBZDERIWNEI-FQEVSTJZSA-N 2 1 315.505 2.579 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117329 429581844 /nfs/dbraw/zinc/58/18/44/429581844.db2.gz NZDDJPBTGHXGFK-QFBILLFUSA-N 2 1 301.478 2.848 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000428561429 429535919 /nfs/dbraw/zinc/53/59/19/429535919.db2.gz DYPLYRWEJWHFIZ-HNNXBMFYSA-N 2 1 311.429 2.865 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000428561429 429535925 /nfs/dbraw/zinc/53/59/25/429535925.db2.gz DYPLYRWEJWHFIZ-HNNXBMFYSA-N 2 1 311.429 2.865 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156169 429619650 /nfs/dbraw/zinc/61/96/50/429619650.db2.gz PFJCYRVCXXLDRZ-HNNXBMFYSA-N 2 1 311.514 2.732 20 0 DFADMP C[NH+]1CCN(C(=O)CC[NH2+][C@@H](c2ccccc2)C(C)(C)C)CC1 ZINC000429687370 429627026 /nfs/dbraw/zinc/62/70/26/429627026.db2.gz WOTOORMHINDYHI-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOC[C@H]3CCCO3)C2)CC1 ZINC000524970488 429642127 /nfs/dbraw/zinc/64/21/27/429642127.db2.gz HFYUBIKXOBKWTQ-RTBURBONSA-N 2 1 324.509 2.626 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOC[C@H]3CCCO3)C2)CC1 ZINC000524970488 429642133 /nfs/dbraw/zinc/64/21/33/429642133.db2.gz HFYUBIKXOBKWTQ-RTBURBONSA-N 2 1 324.509 2.626 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@H+](CCOC[C@H]3CCCO3)C2)CC1 ZINC000524970487 429643601 /nfs/dbraw/zinc/64/36/01/429643601.db2.gz HFYUBIKXOBKWTQ-RBUKOAKNSA-N 2 1 324.509 2.626 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCOC[C@H]3CCCO3)C2)CC1 ZINC000524970487 429643606 /nfs/dbraw/zinc/64/36/06/429643606.db2.gz HFYUBIKXOBKWTQ-RBUKOAKNSA-N 2 1 324.509 2.626 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](c2cccs2)N2CC[NH+](C)CC2)C1 ZINC000525180360 429647720 /nfs/dbraw/zinc/64/77/20/429647720.db2.gz YMWJSVJTINFFJK-OAGGEKHMSA-N 2 1 307.507 2.815 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1 ZINC000429411260 429607798 /nfs/dbraw/zinc/60/77/98/429607798.db2.gz WHJYKBJORQXKKJ-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP C[N@@H+](CC12CCC(CC1)C2)C1CCN(CCn2cccn2)CC1 ZINC000450360654 429608536 /nfs/dbraw/zinc/60/85/36/429608536.db2.gz ASHKQEQSAQGQAZ-UHFFFAOYSA-N 2 1 316.493 2.860 20 0 DFADMP COC1(C[C@@H](C)[NH2+]C2CC[NH+](CCOC(C)C)CC2)CCC1 ZINC000429528761 429612129 /nfs/dbraw/zinc/61/21/29/429612129.db2.gz PSAHNXYQMOSNAW-MRXNPFEDSA-N 2 1 312.498 2.813 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450373826 429612748 /nfs/dbraw/zinc/61/27/48/429612748.db2.gz UXKFWFVWBDFVRD-CQSZACIVSA-N 2 1 310.869 2.660 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450373826 429612751 /nfs/dbraw/zinc/61/27/51/429612751.db2.gz UXKFWFVWBDFVRD-CQSZACIVSA-N 2 1 310.869 2.660 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1CCC(F)(F)C1 ZINC000450600355 429658447 /nfs/dbraw/zinc/65/84/47/429658447.db2.gz NLLIBECSKFREPT-YJNKXOJESA-N 2 1 302.409 2.605 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CCCCC1(F)F ZINC000450598605 429659105 /nfs/dbraw/zinc/65/91/05/429659105.db2.gz JQAACYVRXLWARL-ZJIFWQFVSA-N 2 1 316.436 2.995 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(-n2ccnn2)c1 ZINC000367490183 429659152 /nfs/dbraw/zinc/65/91/52/429659152.db2.gz NIGVBDWMGNRWNW-BHYGNILZSA-N 2 1 311.433 2.545 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H]2CCC[C@H]21 ZINC000367518458 429663390 /nfs/dbraw/zinc/66/33/90/429663390.db2.gz IIVXYDRUDIYQTP-SLFFLAALSA-N 2 1 324.472 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H]2CCC[C@@H]21 ZINC000367518456 429663893 /nfs/dbraw/zinc/66/38/93/429663893.db2.gz IIVXYDRUDIYQTP-AABGKKOBSA-N 2 1 324.472 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H]2CCC[C@H]21 ZINC000367518457 429664440 /nfs/dbraw/zinc/66/44/40/429664440.db2.gz IIVXYDRUDIYQTP-HSALFYBXSA-N 2 1 324.472 2.894 20 0 DFADMP CN(CC[N@@H+](C)C[C@@H]1CCCCC1(F)F)C1CC[NH+](C)CC1 ZINC000450624453 429665499 /nfs/dbraw/zinc/66/54/99/429665499.db2.gz AQHUXIUFIYLRAP-HNNXBMFYSA-N 2 1 317.468 2.770 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367539336 429668456 /nfs/dbraw/zinc/66/84/56/429668456.db2.gz YRUUNJBICRTDNK-MZMPZRCHSA-N 2 1 304.482 2.507 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000262528705 276051437 /nfs/dbraw/zinc/05/14/37/276051437.db2.gz HKVABRRTFDKQHL-VYDXJSESSA-N 2 1 323.868 2.719 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000262528705 276051438 /nfs/dbraw/zinc/05/14/38/276051438.db2.gz HKVABRRTFDKQHL-VYDXJSESSA-N 2 1 323.868 2.719 20 0 DFADMP CC(C)c1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000266936543 276052488 /nfs/dbraw/zinc/05/24/88/276052488.db2.gz PYXJSGDTTXHHCH-UHFFFAOYSA-N 2 1 303.494 2.879 20 0 DFADMP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1C ZINC000367472083 429654907 /nfs/dbraw/zinc/65/49/07/429654907.db2.gz CCGKLZAVTTVRKH-LJQANCHMSA-N 2 1 301.478 2.515 20 0 DFADMP Cc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000367472083 429654912 /nfs/dbraw/zinc/65/49/12/429654912.db2.gz CCGKLZAVTTVRKH-LJQANCHMSA-N 2 1 301.478 2.515 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000264027638 276078119 /nfs/dbraw/zinc/07/81/19/276078119.db2.gz LSHCNVCMXIFJGM-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(NC(C)=O)cc1 ZINC000289466093 276123305 /nfs/dbraw/zinc/12/33/05/276123305.db2.gz OWQQAHPFTZHZAG-UHFFFAOYSA-N 2 1 303.450 2.953 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(NC(C)=O)cc1 ZINC000289466093 276123309 /nfs/dbraw/zinc/12/33/09/276123309.db2.gz OWQQAHPFTZHZAG-UHFFFAOYSA-N 2 1 303.450 2.953 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)[C@@H](C)C1 ZINC000367601027 429681157 /nfs/dbraw/zinc/68/11/57/429681157.db2.gz MAPZPCKRROHCKL-BHYGNILZSA-N 2 1 320.481 2.514 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)[C@@H](C)C1 ZINC000367601027 429681160 /nfs/dbraw/zinc/68/11/60/429681160.db2.gz MAPZPCKRROHCKL-BHYGNILZSA-N 2 1 320.481 2.514 20 0 DFADMP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000367603082 429681195 /nfs/dbraw/zinc/68/11/95/429681195.db2.gz YDYUWZPMVCUIIX-QRQLOZEOSA-N 3 1 319.468 2.850 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000367603082 429681198 /nfs/dbraw/zinc/68/11/98/429681198.db2.gz YDYUWZPMVCUIIX-QRQLOZEOSA-N 2 1 319.468 2.850 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000367603082 429681204 /nfs/dbraw/zinc/68/12/04/429681204.db2.gz YDYUWZPMVCUIIX-QRQLOZEOSA-N 2 1 319.468 2.850 20 0 DFADMP CCN1CC[NH+]([C@@H]2CCN(c3cc[nH+]c4ccc(C)cc43)C2)CC1 ZINC000302142461 276199105 /nfs/dbraw/zinc/19/91/05/276199105.db2.gz FQLIKUJUTNKOMS-QGZVFWFLSA-N 2 1 324.472 2.759 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000274797532 276207620 /nfs/dbraw/zinc/20/76/20/276207620.db2.gz MNCZHNHWYFFKIA-PVAVHDDUSA-N 2 1 317.477 2.715 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430551788 429690273 /nfs/dbraw/zinc/69/02/73/429690273.db2.gz ISYHTKXJLQYGQZ-UKRRQHHQSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000430551788 429690275 /nfs/dbraw/zinc/69/02/75/429690275.db2.gz ISYHTKXJLQYGQZ-UKRRQHHQSA-N 2 1 321.490 2.796 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367621289 429687858 /nfs/dbraw/zinc/68/78/58/429687858.db2.gz ZVOCVNKCODMVOI-KZNAEPCWSA-N 2 1 301.434 2.607 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000367614380 429688036 /nfs/dbraw/zinc/68/80/36/429688036.db2.gz GYLUXQHLJRBGNM-BRWVUGGUSA-N 2 1 318.461 2.709 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000367614382 429688181 /nfs/dbraw/zinc/68/81/81/429688181.db2.gz GYLUXQHLJRBGNM-ZACQAIPSSA-N 2 1 318.461 2.709 20 0 DFADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)CC(C)(C)C[NH3+] ZINC000430588990 429699898 /nfs/dbraw/zinc/69/98/98/429699898.db2.gz GQIORQKNSHXXQT-UHFFFAOYSA-N 2 1 322.840 2.849 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000236886989 276309101 /nfs/dbraw/zinc/30/91/01/276309101.db2.gz UIVPSVKIPWFKQB-SJORKVTESA-N 2 1 305.466 2.511 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430593003 429699424 /nfs/dbraw/zinc/69/94/24/429699424.db2.gz OBWJQMAATVTLBY-BQFCYCMXSA-N 2 1 319.493 2.866 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000430593003 429699430 /nfs/dbraw/zinc/69/94/30/429699430.db2.gz OBWJQMAATVTLBY-BQFCYCMXSA-N 2 1 319.493 2.866 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)[C@H](C)C1 ZINC000367601028 276316079 /nfs/dbraw/zinc/31/60/79/276316079.db2.gz MAPZPCKRROHCKL-HYVNUMGLSA-N 2 1 320.481 2.514 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCc3n[nH]cc32)[C@H](C)C1 ZINC000367601028 276316081 /nfs/dbraw/zinc/31/60/81/276316081.db2.gz MAPZPCKRROHCKL-HYVNUMGLSA-N 2 1 320.481 2.514 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccccc2)[nH]1)C[C@H]1CCn2ccnc2C1 ZINC000367659076 429693417 /nfs/dbraw/zinc/69/34/17/429693417.db2.gz SFBFNLITJVNRFY-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@@H+](Cc1c[nH]c(-c2ccccc2)n1)C[C@H]1CCn2ccnc2C1 ZINC000367659076 429693422 /nfs/dbraw/zinc/69/34/22/429693422.db2.gz SFBFNLITJVNRFY-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1c[nH]c(-c2ccccc2)n1)C[C@H]1CCn2ccnc2C1 ZINC000367659076 429693427 /nfs/dbraw/zinc/69/34/27/429693427.db2.gz SFBFNLITJVNRFY-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(OCC(F)(F)F)cc1)C1CC1 ZINC000430567938 429693564 /nfs/dbraw/zinc/69/35/64/429693564.db2.gz BORXFNVZSFWEOK-AWEZNQCLSA-N 2 1 302.340 2.845 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCC2 ZINC000181851684 276344386 /nfs/dbraw/zinc/34/43/86/276344386.db2.gz PAEYMZGCDTUFNJ-QZTJIDSGSA-N 2 1 324.509 2.813 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000430578334 429695986 /nfs/dbraw/zinc/69/59/86/429695986.db2.gz YLUXZRDCLJAKBE-OLZOCXBDSA-N 2 1 309.841 2.728 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430593008 429697871 /nfs/dbraw/zinc/69/78/71/429697871.db2.gz OBWJQMAATVTLBY-LZLYRXPVSA-N 2 1 319.493 2.866 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC[C@@H]([NH3+])C(C)C ZINC000430593008 429697876 /nfs/dbraw/zinc/69/78/76/429697876.db2.gz OBWJQMAATVTLBY-LZLYRXPVSA-N 2 1 319.493 2.866 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H](C)[N@H+]1CCO ZINC000450793365 429702054 /nfs/dbraw/zinc/70/20/54/429702054.db2.gz LNYWERKKXCDFFW-BETUJISGSA-N 2 1 319.836 2.780 20 0 DFADMP C[C@@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)C[C@H](C)[N@@H+]1CCO ZINC000450793365 429702059 /nfs/dbraw/zinc/70/20/59/429702059.db2.gz LNYWERKKXCDFFW-BETUJISGSA-N 2 1 319.836 2.780 20 0 DFADMP COCC[NH+]1CCC(Nc2cc(C)c3ccc(C)cc3[nH+]2)CC1 ZINC000460943470 429703199 /nfs/dbraw/zinc/70/31/99/429703199.db2.gz LTDAVWNOBNKAKR-UHFFFAOYSA-N 2 1 313.445 3.374 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](CCOc2ccc(OC(F)(F)F)cc2)C1 ZINC000430619968 429704065 /nfs/dbraw/zinc/70/40/65/429704065.db2.gz ARBDGQWVILYMTL-LBPRGKRZSA-N 2 1 318.339 2.635 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430641405 429705515 /nfs/dbraw/zinc/70/55/15/429705515.db2.gz SSTRQVJPNDKUPU-CZUORRHYSA-N 2 1 307.413 2.664 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430641405 429705517 /nfs/dbraw/zinc/70/55/17/429705517.db2.gz SSTRQVJPNDKUPU-CZUORRHYSA-N 2 1 307.413 2.664 20 0 DFADMP CCn1cnnc1[C@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000526971427 429712603 /nfs/dbraw/zinc/71/26/03/429712603.db2.gz HBXUBMFSUGUCIV-KRWDZBQOSA-N 2 1 313.449 2.814 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000430797350 429717620 /nfs/dbraw/zinc/71/76/20/429717620.db2.gz OMTBLZVFQZNEEQ-CIRFHOKZSA-N 2 1 317.477 2.654 20 0 DFADMP CC(C)[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000367795453 429717976 /nfs/dbraw/zinc/71/79/76/429717976.db2.gz VVKLEUDWEBPVOP-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000367795453 429717980 /nfs/dbraw/zinc/71/79/80/429717980.db2.gz VVKLEUDWEBPVOP-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000367795453 429717983 /nfs/dbraw/zinc/71/79/83/429717983.db2.gz VVKLEUDWEBPVOP-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CN(C(=[NH2+])NC[C@H]1CC[N@@H+](C)[C@@H]1c1cccc(Cl)c1)C1CC1 ZINC000367809449 429722183 /nfs/dbraw/zinc/72/21/83/429722183.db2.gz GHASTMSWZZFZTJ-CZUORRHYSA-N 2 1 320.868 2.951 20 0 DFADMP C[C@@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC[C@H]1[NH3+] ZINC000430970873 429732494 /nfs/dbraw/zinc/73/24/94/429732494.db2.gz IWZLTKGQDCXNGX-BXUZGUMPSA-N 2 1 320.824 2.602 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H](C(C)(C)C)C2)CC1 ZINC000483237856 429732919 /nfs/dbraw/zinc/73/29/19/429732919.db2.gz BUWCIEJEPGVVFX-MRXNPFEDSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1ccccc1-c1nc(C[NH+]2CCC3(CC[NH2+]C3)CC2)no1 ZINC000431037514 429737017 /nfs/dbraw/zinc/73/70/17/429737017.db2.gz NXYGVXUGIMXGKV-UHFFFAOYSA-N 2 1 312.417 2.621 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431073488 429739442 /nfs/dbraw/zinc/73/94/42/429739442.db2.gz KBQGFHRLYOMSLT-HNNXBMFYSA-N 2 1 314.433 2.779 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431073489 429739778 /nfs/dbraw/zinc/73/97/78/429739778.db2.gz KBQGFHRLYOMSLT-OAHLLOKOSA-N 2 1 314.433 2.779 20 0 DFADMP C[C@H]1[C@@H](Cc2ccccc2)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431095398 429741367 /nfs/dbraw/zinc/74/13/67/429741367.db2.gz FUUPPVFWCGLIQJ-DZGCQCFKSA-N 2 1 314.433 2.717 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)s1 ZINC000432072977 429797978 /nfs/dbraw/zinc/79/79/78/429797978.db2.gz VBQYXLGSZDHILW-CYBMUJFWSA-N 2 1 302.447 2.974 20 0 DFADMP CN(CC1([NH+](C)C)CCC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000451001708 429748833 /nfs/dbraw/zinc/74/88/33/429748833.db2.gz AOGNPCDBUDLHPM-KRWDZBQOSA-N 2 1 321.509 2.726 20 0 DFADMP COCC[NH+]1CCC([NH2+]C2CC(c3cc(F)cc(F)c3)C2)CC1 ZINC000368025578 429771012 /nfs/dbraw/zinc/77/10/12/429771012.db2.gz XBHIMOWKIMXSFB-UHFFFAOYSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692318 429780614 /nfs/dbraw/zinc/78/06/14/429780614.db2.gz SBFFKQFNKAFFPU-FCDRMGDPSA-N 2 1 314.473 2.777 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000431745478 429781238 /nfs/dbraw/zinc/78/12/38/429781238.db2.gz QSQZPGYXOAJYJS-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc3cc[nH]c3c2)CCCO1 ZINC000527700537 429781380 /nfs/dbraw/zinc/78/13/80/429781380.db2.gz MCRMPTRDASZKGJ-HNNXBMFYSA-N 2 1 301.434 2.758 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000431788940 429781899 /nfs/dbraw/zinc/78/18/99/429781899.db2.gz OVLNNLVMCQZNCX-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431788940 429781903 /nfs/dbraw/zinc/78/19/03/429781903.db2.gz OVLNNLVMCQZNCX-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431788940 429781907 /nfs/dbraw/zinc/78/19/07/429781907.db2.gz OVLNNLVMCQZNCX-NVXWUHKLSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451194660 429785698 /nfs/dbraw/zinc/78/56/98/429785698.db2.gz WHZLOXBSDLUAOD-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH]cnc3C1)CCCO2 ZINC000368104166 429788116 /nfs/dbraw/zinc/78/81/16/429788116.db2.gz BZZQLYMJVGNZPG-DOMZBBRYSA-N 2 1 313.401 2.779 20 0 DFADMP FC1(F)Oc2cccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)c2O1 ZINC000527754333 429792275 /nfs/dbraw/zinc/79/22/75/429792275.db2.gz JRKVOLGVQIWTDO-ZIAGYGMSSA-N 2 1 324.371 2.767 20 0 DFADMP C[N@H+]1CC[C@@H](CNc2cc(C(C)(C)C)nc(C(C)(C)C)n2)C1 ZINC000432368390 429817233 /nfs/dbraw/zinc/81/72/33/429817233.db2.gz MIKBDQFIBUOMFU-ZDUSSCGKSA-N 2 1 304.482 3.435 20 0 DFADMP Cc1ccc(CCCN2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000368265802 429819973 /nfs/dbraw/zinc/81/99/73/429819973.db2.gz UYHVRZOOZMGKGK-VQTJNVASSA-N 2 1 316.489 2.849 20 0 DFADMP Cc1ccc(CCCN2CCC[C@H]2C[N@H+]2CCC[C@@H]2CO)cc1 ZINC000368265802 429819975 /nfs/dbraw/zinc/81/99/75/429819975.db2.gz UYHVRZOOZMGKGK-VQTJNVASSA-N 2 1 316.489 2.849 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCOC2)[C@@H](C)C1 ZINC000527923649 429821749 /nfs/dbraw/zinc/82/17/49/429821749.db2.gz DIBWWEGRMVEJQJ-BZSNNMDCSA-N 2 1 312.498 2.530 20 0 DFADMP COc1cccc([C@@H](C[NH2+]C2CC[NH+](C(C)C)CC2)OC)c1 ZINC000527920583 429821838 /nfs/dbraw/zinc/82/18/38/429821838.db2.gz NUYQJJVHNSBQSX-GOSISDBHSA-N 2 1 306.450 2.845 20 0 DFADMP C[C@H](O)c1cnc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000368274056 429822551 /nfs/dbraw/zinc/82/25/51/429822551.db2.gz PZBACWVALBZETC-ZDUSSCGKSA-N 2 1 309.479 2.504 20 0 DFADMP C[C@H](O)c1cnc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000368274056 429822555 /nfs/dbraw/zinc/82/25/55/429822555.db2.gz PZBACWVALBZETC-ZDUSSCGKSA-N 2 1 309.479 2.504 20 0 DFADMP CCn1nc(C)c([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000432425662 429823135 /nfs/dbraw/zinc/82/31/35/429823135.db2.gz WKFJCIHCSUOYGI-CABCVRRESA-N 2 1 322.497 2.671 20 0 DFADMP CCn1nc(C)c([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC000432425662 429823138 /nfs/dbraw/zinc/82/31/38/429823138.db2.gz WKFJCIHCSUOYGI-CABCVRRESA-N 2 1 322.497 2.671 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)OC)c1 ZINC000527930781 429823764 /nfs/dbraw/zinc/82/37/64/429823764.db2.gz WAHDOBHUHICMNW-RDGPPVDQSA-N 2 1 318.461 2.845 20 0 DFADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000368281334 429824437 /nfs/dbraw/zinc/82/44/37/429824437.db2.gz BJARFKWBDHQZMR-FXAWDEMLSA-N 3 1 324.472 2.930 20 0 DFADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C2CC2)cn1 ZINC000528041989 429840747 /nfs/dbraw/zinc/84/07/47/429840747.db2.gz CAWQCWWBWKRHFX-SFHVURJKSA-N 2 1 301.434 2.758 20 0 DFADMP Cc1c[nH+]cn1Cc1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000528112829 429849764 /nfs/dbraw/zinc/84/97/64/429849764.db2.gz FFVIPWISBQRBED-UHFFFAOYSA-N 2 1 323.400 2.886 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368445210 429851074 /nfs/dbraw/zinc/85/10/74/429851074.db2.gz ITNNDCRKWAOJEX-NUJGCVRESA-N 2 1 315.461 2.644 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000493991737 429852661 /nfs/dbraw/zinc/85/26/61/429852661.db2.gz IZBLLQXZLVNIBV-ILXRZTDVSA-N 2 1 303.450 2.983 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CCCO[C@@H]3CCCCO3)C2)CC1 ZINC000368486264 429856364 /nfs/dbraw/zinc/85/63/64/429856364.db2.gz YYXFDZUFNSJHBT-QGZVFWFLSA-N 2 1 310.482 2.728 20 0 DFADMP COCC(C)(C)C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000494096339 429856540 /nfs/dbraw/zinc/85/65/40/429856540.db2.gz APQOPFJTZREZKY-UHFFFAOYSA-N 2 1 323.481 2.766 20 0 DFADMP CC(C)n1cc(CNC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nn1 ZINC000368559252 429866657 /nfs/dbraw/zinc/86/66/57/429866657.db2.gz ZOANBQUNTCWTAX-AEFFLSMTSA-N 2 1 313.449 2.642 20 0 DFADMP C[C@H](C[C@H](O)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000368607579 429878027 /nfs/dbraw/zinc/87/80/27/429878027.db2.gz ILKNNSIPXULXHF-QTUASDBPSA-N 2 1 302.462 2.961 20 0 DFADMP Cc1ccc(N2CCC([NH2+]Cc3cncc(F)c3)CC2)[nH+]c1 ZINC000494604469 429882181 /nfs/dbraw/zinc/88/21/81/429882181.db2.gz PNIOMFOKCAALLA-UHFFFAOYSA-N 2 1 300.381 2.683 20 0 DFADMP C/C(Cl)=C\CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000528383329 429882761 /nfs/dbraw/zinc/88/27/61/429882761.db2.gz SIHFIBNROFYGHO-CAOOACKPSA-N 2 1 321.896 2.879 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000528387097 429884654 /nfs/dbraw/zinc/88/46/54/429884654.db2.gz LASQEGBZLXDDIE-CRAIPNDOSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(F)cc1 ZINC000528387097 429884655 /nfs/dbraw/zinc/88/46/55/429884655.db2.gz LASQEGBZLXDDIE-CRAIPNDOSA-N 2 1 306.425 2.931 20 0 DFADMP C(CC[NH+]1CCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736153 429890977 /nfs/dbraw/zinc/89/09/77/429890977.db2.gz NHGVHQXZZAXYKL-INDMIFKZSA-N 2 1 322.493 2.663 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([NH+](C)C)CC1 ZINC000528478085 429891687 /nfs/dbraw/zinc/89/16/87/429891687.db2.gz SOWLFRGYLSSENJ-ROUUACIJSA-N 2 1 308.441 2.799 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000528512753 429895573 /nfs/dbraw/zinc/89/55/73/429895573.db2.gz NFUQFHJHFJHENZ-RBUKOAKNSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000528512753 429895574 /nfs/dbraw/zinc/89/55/74/429895574.db2.gz NFUQFHJHFJHENZ-RBUKOAKNSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000528512753 429895575 /nfs/dbraw/zinc/89/55/75/429895575.db2.gz NFUQFHJHFJHENZ-RBUKOAKNSA-N 2 1 320.452 2.801 20 0 DFADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000368844355 429898307 /nfs/dbraw/zinc/89/83/07/429898307.db2.gz HBXDQAJFYBCYGG-AWEZNQCLSA-N 2 1 314.408 2.727 20 0 DFADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000369073181 429911146 /nfs/dbraw/zinc/91/11/46/429911146.db2.gz BLVOVMXVZCPALU-WFASDCNBSA-N 2 1 301.365 2.623 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746552 429912088 /nfs/dbraw/zinc/91/20/88/429912088.db2.gz WKDPZGDXSQDVGJ-IAGOWNOFSA-N 2 1 308.441 2.706 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746552 429912090 /nfs/dbraw/zinc/91/20/90/429912090.db2.gz WKDPZGDXSQDVGJ-IAGOWNOFSA-N 2 1 308.441 2.706 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(F)cc2)C1(C)C ZINC000528746552 429912092 /nfs/dbraw/zinc/91/20/92/429912092.db2.gz WKDPZGDXSQDVGJ-IAGOWNOFSA-N 2 1 308.441 2.706 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@]3(CC[C@@H](C)C3)C2)CC1 ZINC000369122238 429914060 /nfs/dbraw/zinc/91/40/60/429914060.db2.gz OFDQODWBCMBDIP-MOPGFXCFSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762098 429914257 /nfs/dbraw/zinc/91/42/57/429914257.db2.gz NQQRFADMNNFKQU-MRXNPFEDSA-N 2 1 312.461 2.774 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCN(c2cccc3[nH]ccc32)CC1 ZINC000528762098 429914258 /nfs/dbraw/zinc/91/42/58/429914258.db2.gz NQQRFADMNNFKQU-MRXNPFEDSA-N 2 1 312.461 2.774 20 0 DFADMP CCn1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000369185873 429918271 /nfs/dbraw/zinc/91/82/71/429918271.db2.gz XZCCAJCGDFUSEG-LJQANCHMSA-N 2 1 312.461 2.905 20 0 DFADMP CCn1cc(C[NH2+]C[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000369185873 429918273 /nfs/dbraw/zinc/91/82/73/429918273.db2.gz XZCCAJCGDFUSEG-LJQANCHMSA-N 2 1 312.461 2.905 20 0 DFADMP COc1ccc([C@H]([NH2+]CCCn2cc[nH+]c2C)C2CC2)cn1 ZINC000528849139 429920033 /nfs/dbraw/zinc/92/00/33/429920033.db2.gz DPGDMLWJXGONBV-QGZVFWFLSA-N 2 1 300.406 2.726 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000369348634 429927813 /nfs/dbraw/zinc/92/78/13/429927813.db2.gz JPGGWOBNTPCTLA-HNNXBMFYSA-N 2 1 321.428 2.934 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000573561283 429961276 /nfs/dbraw/zinc/96/12/76/429961276.db2.gz CGRDVPMXHNRPRI-AEFFLSMTSA-N 2 1 317.477 2.561 20 0 DFADMP COc1nc(C)cc(C)c1C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639755166 429970930 /nfs/dbraw/zinc/97/09/30/429970930.db2.gz HCYORJHZDHCSLB-UHFFFAOYSA-N 2 1 303.450 2.625 20 0 DFADMP CO[C@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(F)cc1 ZINC000639756213 429971176 /nfs/dbraw/zinc/97/11/76/429971176.db2.gz RSBDPJXZGRBFFZ-QGZVFWFLSA-N 2 1 306.425 2.931 20 0 DFADMP CC(C)O[C@H](C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766828 429972144 /nfs/dbraw/zinc/97/21/44/429972144.db2.gz PBRCZVJLVCJXRP-MOPGFXCFSA-N 2 1 320.477 2.541 20 0 DFADMP CC(C)O[C@H](C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766828 429972147 /nfs/dbraw/zinc/97/21/47/429972147.db2.gz PBRCZVJLVCJXRP-MOPGFXCFSA-N 2 1 320.477 2.541 20 0 DFADMP C[NH+](C)C[C@]1(O)CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000639766024 429972551 /nfs/dbraw/zinc/97/25/51/429972551.db2.gz LGAYSEAPYKQRIP-QZTJIDSGSA-N 2 1 306.425 2.592 20 0 DFADMP C[NH+](C)C[C@]1(O)CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000639766024 429972552 /nfs/dbraw/zinc/97/25/52/429972552.db2.gz LGAYSEAPYKQRIP-QZTJIDSGSA-N 2 1 306.425 2.592 20 0 DFADMP CC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000558500701 429975200 /nfs/dbraw/zinc/97/52/00/429975200.db2.gz JTUSYJUWPVWSFE-ATZDWAIDSA-N 2 1 302.462 2.794 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791587 429984191 /nfs/dbraw/zinc/98/41/91/429984191.db2.gz WTBIXKOAXFXESR-INIZCTEOSA-N 2 1 321.428 2.785 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@H](c2ccc3cccnc3n2)C1 ZINC000639791587 429984193 /nfs/dbraw/zinc/98/41/93/429984193.db2.gz WTBIXKOAXFXESR-INIZCTEOSA-N 2 1 321.428 2.785 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000573140401 429929700 /nfs/dbraw/zinc/92/97/00/429929700.db2.gz MYZFKRXGOPOWOJ-ZDUSSCGKSA-N 2 1 304.463 2.958 20 0 DFADMP C[C@@H](c1ccc(F)cc1)N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000369360928 429929745 /nfs/dbraw/zinc/92/97/45/429929745.db2.gz ZGZLOPWXXXWZGO-YJBOKZPZSA-N 2 1 305.441 2.599 20 0 DFADMP Brc1ccccc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369365943 429933489 /nfs/dbraw/zinc/93/34/89/429933489.db2.gz IDETZTNKKNPUOO-GFCCVEGCSA-N 2 1 320.234 2.998 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000369397024 429936895 /nfs/dbraw/zinc/93/68/95/429936895.db2.gz CQUKWMXSRGMYSD-FQEVSTJZSA-N 2 1 315.505 2.720 20 0 DFADMP O=C(CC[N@@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(F)cc1 ZINC000557338162 429937472 /nfs/dbraw/zinc/93/74/72/429937472.db2.gz WYRDPVJMMABVDP-IRXDYDNUSA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(F)cc1 ZINC000557338162 429937477 /nfs/dbraw/zinc/93/74/77/429937477.db2.gz WYRDPVJMMABVDP-IRXDYDNUSA-N 2 1 319.424 2.761 20 0 DFADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000573288373 429940188 /nfs/dbraw/zinc/94/01/88/429940188.db2.gz YFFMNLYHAFPNIU-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000573288373 429940194 /nfs/dbraw/zinc/94/01/94/429940194.db2.gz YFFMNLYHAFPNIU-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP c1ccc(COCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682880 429944181 /nfs/dbraw/zinc/94/41/81/429944181.db2.gz CJWLKNMNAPRKCC-UHFFFAOYSA-N 2 1 311.429 2.811 20 0 DFADMP CCc1cc(CCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)on1 ZINC000639683161 429945696 /nfs/dbraw/zinc/94/56/96/429945696.db2.gz HSZOCLXAOQXSRQ-UHFFFAOYSA-N 2 1 314.433 2.777 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)CC[N@H+]1C ZINC000369461948 429949875 /nfs/dbraw/zinc/94/98/75/429949875.db2.gz GZGDUMKWJOVZGD-FGTMMUONSA-N 2 1 301.478 2.975 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000574462567 430043674 /nfs/dbraw/zinc/04/36/74/430043674.db2.gz IYGHIBGNMKLRSI-BLLLJJGKSA-N 2 1 302.397 2.631 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000574462567 430043676 /nfs/dbraw/zinc/04/36/76/430043676.db2.gz IYGHIBGNMKLRSI-BLLLJJGKSA-N 2 1 302.397 2.631 20 0 DFADMP CC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000639984116 430044041 /nfs/dbraw/zinc/04/40/41/430044041.db2.gz PLOHLOUIQUGBQT-SFHVURJKSA-N 2 1 320.452 2.679 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000574462574 430044172 /nfs/dbraw/zinc/04/41/72/430044172.db2.gz IYGHIBGNMKLRSI-WBMJQRKESA-N 2 1 302.397 2.631 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000574462574 430044177 /nfs/dbraw/zinc/04/41/77/430044177.db2.gz IYGHIBGNMKLRSI-WBMJQRKESA-N 2 1 302.397 2.631 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCCc2cncn2C)CC1 ZINC000639986094 430046207 /nfs/dbraw/zinc/04/62/07/430046207.db2.gz IXLJMMFBZCDPRI-UHFFFAOYSA-N 3 1 304.482 2.693 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@@H]1CN1CCC[C@@H](n2ccnn2)CC1 ZINC000639815874 429991349 /nfs/dbraw/zinc/99/13/49/429991349.db2.gz AOXMCXIUYFZKJY-IAGOWNOFSA-N 2 1 305.470 2.568 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC[C@@H](n2ccnn2)CC1 ZINC000639815874 429991353 /nfs/dbraw/zinc/99/13/53/429991353.db2.gz AOXMCXIUYFZKJY-IAGOWNOFSA-N 2 1 305.470 2.568 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCCC[C@H]1O ZINC000634723657 430089279 /nfs/dbraw/zinc/08/92/79/430089279.db2.gz AGUSFAQSFRDAKK-JCHJZTRSSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000634732552 430093467 /nfs/dbraw/zinc/09/34/67/430093467.db2.gz IWYCQLUXGMRCQR-TZMCWYRMSA-N 2 1 309.479 2.862 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@H](O)CN(C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035736 430107454 /nfs/dbraw/zinc/10/74/54/430107454.db2.gz OHGMCASJIRUCRA-AHRSYUTCSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035736 430107456 /nfs/dbraw/zinc/10/74/56/430107456.db2.gz OHGMCASJIRUCRA-AHRSYUTCSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035736 430107459 /nfs/dbraw/zinc/10/74/59/430107459.db2.gz OHGMCASJIRUCRA-AHRSYUTCSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035736 430107462 /nfs/dbraw/zinc/10/74/62/430107462.db2.gz OHGMCASJIRUCRA-AHRSYUTCSA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@@H]1c1ccccc1 ZINC000562035736 430107465 /nfs/dbraw/zinc/10/74/65/430107465.db2.gz OHGMCASJIRUCRA-AHRSYUTCSA-N 2 1 316.489 2.957 20 0 DFADMP COc1ccc(C[N@@H+](CCn2ccnc2)[C@H](C)CCCO)cc1 ZINC000640016551 430055548 /nfs/dbraw/zinc/05/55/48/430055548.db2.gz NKKDZUJXPUBFQM-MRXNPFEDSA-N 2 1 317.433 2.555 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](CC(F)(F)F)[C@@H]1C ZINC000640019826 430058687 /nfs/dbraw/zinc/05/86/87/430058687.db2.gz BJTPFCWLEACKGH-RQJABVFESA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1[C@H](C)C[C@H](CC(F)(F)F)[C@@H]1C ZINC000640019826 430058691 /nfs/dbraw/zinc/05/86/91/430058691.db2.gz BJTPFCWLEACKGH-RQJABVFESA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1[C@H](C)C[C@H](CC(F)(F)F)[C@@H]1C ZINC000640019826 430058693 /nfs/dbraw/zinc/05/86/93/430058693.db2.gz BJTPFCWLEACKGH-RQJABVFESA-N 2 1 310.404 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1[C@H](C)C[C@H](CC(F)(F)F)[C@@H]1C ZINC000640019826 430058698 /nfs/dbraw/zinc/05/86/98/430058698.db2.gz BJTPFCWLEACKGH-RQJABVFESA-N 2 1 310.404 2.739 20 0 DFADMP CC1(C)C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000634678498 430073491 /nfs/dbraw/zinc/07/34/91/430073491.db2.gz VVZSAMYDRQUBGS-SFHVURJKSA-N 2 1 302.462 2.982 20 0 DFADMP CC1(C)C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000634678498 430073496 /nfs/dbraw/zinc/07/34/96/430073496.db2.gz VVZSAMYDRQUBGS-SFHVURJKSA-N 2 1 302.462 2.982 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708788 430086057 /nfs/dbraw/zinc/08/60/57/430086057.db2.gz ZFTKYANTQUIKDD-IAGOWNOFSA-N 2 1 324.415 2.791 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708788 430086061 /nfs/dbraw/zinc/08/60/61/430086061.db2.gz ZFTKYANTQUIKDD-IAGOWNOFSA-N 2 1 324.415 2.791 20 0 DFADMP O[C@]1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712458 430086389 /nfs/dbraw/zinc/08/63/89/430086389.db2.gz GRGUNMFSELPGES-IRXDYDNUSA-N 2 1 324.415 2.648 20 0 DFADMP O[C@]1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712458 430086392 /nfs/dbraw/zinc/08/63/92/430086392.db2.gz GRGUNMFSELPGES-IRXDYDNUSA-N 2 1 324.415 2.648 20 0 DFADMP O[C@@]1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634712457 430086572 /nfs/dbraw/zinc/08/65/72/430086572.db2.gz GRGUNMFSELPGES-IAGOWNOFSA-N 2 1 324.415 2.648 20 0 DFADMP O[C@@]1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634712457 430086575 /nfs/dbraw/zinc/08/65/75/430086575.db2.gz GRGUNMFSELPGES-IAGOWNOFSA-N 2 1 324.415 2.648 20 0 DFADMP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+]1CC(C)C1 ZINC000580845234 430156969 /nfs/dbraw/zinc/15/69/69/430156969.db2.gz XIEQHBIGYVQULV-DYVFJYSZSA-N 2 1 301.434 2.514 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000562667352 430162592 /nfs/dbraw/zinc/16/25/92/430162592.db2.gz SSLHAJNTJXQBLT-UHFFFAOYSA-N 2 1 324.384 2.554 20 0 DFADMP CCCN(CC)C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637906325 430168212 /nfs/dbraw/zinc/16/82/12/430168212.db2.gz AFIPDDIABBBWMM-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(c2cc(NC3CC3)ncn2)C1 ZINC000562717779 430172290 /nfs/dbraw/zinc/17/22/90/430172290.db2.gz YBVYZSUDUCVDRI-AWEZNQCLSA-N 2 1 312.421 2.651 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)Cn1cc[nH+]c1C(C)C ZINC000637808429 430135207 /nfs/dbraw/zinc/13/52/07/430135207.db2.gz FSAAPGHPTHDFGB-UHFFFAOYSA-N 2 1 300.406 2.755 20 0 DFADMP COc1cncc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1C ZINC000637958172 430184853 /nfs/dbraw/zinc/18/48/53/430184853.db2.gz NBXRVBZXJHZLJK-UHFFFAOYSA-N 2 1 305.466 2.951 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355663887 277060411 /nfs/dbraw/zinc/06/04/11/277060411.db2.gz DSUWSLAAKUINGS-MOPGFXCFSA-N 2 1 302.462 2.540 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355663887 277060413 /nfs/dbraw/zinc/06/04/13/277060413.db2.gz DSUWSLAAKUINGS-MOPGFXCFSA-N 2 1 302.462 2.540 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355663887 277060415 /nfs/dbraw/zinc/06/04/15/277060415.db2.gz DSUWSLAAKUINGS-MOPGFXCFSA-N 2 1 302.462 2.540 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(Br)cn1 ZINC000581220208 430188488 /nfs/dbraw/zinc/18/84/88/430188488.db2.gz CLRDKMOLSFCBCG-ONGXEEELSA-N 2 1 321.222 2.775 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC(F)F ZINC000635000534 430189737 /nfs/dbraw/zinc/18/97/37/430189737.db2.gz QBWPDVJZFUYAKP-DGCLKSJQSA-N 2 1 314.376 2.713 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000634998846 430190162 /nfs/dbraw/zinc/19/01/62/430190162.db2.gz LSGJKIYXWXVAHC-ZFWWWQNUSA-N 2 1 324.428 2.860 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@H]1C[NH3+] ZINC000634998646 430190233 /nfs/dbraw/zinc/19/02/33/430190233.db2.gz IZJLICAZIYMJNS-TZMCWYRMSA-N 2 1 304.825 2.552 20 0 DFADMP CCOc1cccc(C[N@@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1OC(F)F ZINC000635000008 430190786 /nfs/dbraw/zinc/19/07/86/430190786.db2.gz FFMPSTOXQVSMIA-YPMHNXCESA-N 2 1 314.376 2.713 20 0 DFADMP CCOc1cccc(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)c1OC(F)F ZINC000635000008 430190790 /nfs/dbraw/zinc/19/07/90/430190790.db2.gz FFMPSTOXQVSMIA-YPMHNXCESA-N 2 1 314.376 2.713 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@H](O)Cc1ccccc1 ZINC000640532949 430191239 /nfs/dbraw/zinc/19/12/39/430191239.db2.gz LOTYIMMPWDNQCT-LJQANCHMSA-N 2 1 304.478 2.788 20 0 DFADMP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1 ZINC000640532381 430191393 /nfs/dbraw/zinc/19/13/93/430191393.db2.gz YWSCWDXLMRVXBW-UHFFFAOYSA-N 2 1 303.450 2.823 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)Nc1ccccc1 ZINC000640532381 430191397 /nfs/dbraw/zinc/19/13/97/430191397.db2.gz YWSCWDXLMRVXBW-UHFFFAOYSA-N 2 1 303.450 2.823 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CCC[C@H]([NH3+])C1 ZINC000635002970 430191460 /nfs/dbraw/zinc/19/14/60/430191460.db2.gz CSRKHEKPSLYECV-BVBHFADKSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000635002970 430191461 /nfs/dbraw/zinc/19/14/61/430191461.db2.gz CSRKHEKPSLYECV-BVBHFADKSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000635002970 430191464 /nfs/dbraw/zinc/19/14/64/430191464.db2.gz CSRKHEKPSLYECV-BVBHFADKSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C(=O)N1CCCCCC1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532124 430191658 /nfs/dbraw/zinc/19/16/58/430191658.db2.gz WZARJCMACICUAZ-GOSISDBHSA-N 2 1 323.525 2.975 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCN(c3nccs3)CC2)[C@H]2CCC[C@H]21 ZINC000353587547 277169829 /nfs/dbraw/zinc/16/98/29/277169829.db2.gz ZXAZXTNHGSQZQL-OWCLPIDISA-N 2 1 320.506 2.574 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@H]21 ZINC000375808460 277172275 /nfs/dbraw/zinc/17/22/75/277172275.db2.gz RVPOXBPLWWENDI-IXDOHACOSA-N 2 1 316.445 2.810 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H]2CCC[C@@H]21 ZINC000375808459 277172359 /nfs/dbraw/zinc/17/23/59/277172359.db2.gz RVPOXBPLWWENDI-IKGGRYGDSA-N 2 1 316.445 2.810 20 0 DFADMP COC1CCC([NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)CC1 ZINC000363854612 277193439 /nfs/dbraw/zinc/19/34/39/277193439.db2.gz VBZIWMPBBYXMQV-UHFFFAOYSA-N 2 1 303.450 2.906 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000581484148 430212233 /nfs/dbraw/zinc/21/22/33/430212233.db2.gz VYDFUYYRDAPRGK-KRWDZBQOSA-N 2 1 322.880 2.707 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CC1(Cc2cccc(Cl)c2)CC1)C1CC1 ZINC000581484148 430212237 /nfs/dbraw/zinc/21/22/37/430212237.db2.gz VYDFUYYRDAPRGK-KRWDZBQOSA-N 2 1 322.880 2.707 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358561716 277392651 /nfs/dbraw/zinc/39/26/51/277392651.db2.gz WKDUYRXEIHSHLL-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353617567 277397139 /nfs/dbraw/zinc/39/71/39/277397139.db2.gz DJQLTAUHOVRZMF-MKXGPGLRSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353617567 277397140 /nfs/dbraw/zinc/39/71/40/277397140.db2.gz DJQLTAUHOVRZMF-MKXGPGLRSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353617567 277397141 /nfs/dbraw/zinc/39/71/41/277397141.db2.gz DJQLTAUHOVRZMF-MKXGPGLRSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353617567 277397142 /nfs/dbraw/zinc/39/71/42/277397142.db2.gz DJQLTAUHOVRZMF-MKXGPGLRSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353617567 277397144 /nfs/dbraw/zinc/39/71/44/277397144.db2.gz DJQLTAUHOVRZMF-MKXGPGLRSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353617567 277397145 /nfs/dbraw/zinc/39/71/45/277397145.db2.gz DJQLTAUHOVRZMF-MKXGPGLRSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353617567 277397146 /nfs/dbraw/zinc/39/71/46/277397146.db2.gz DJQLTAUHOVRZMF-MKXGPGLRSA-N 3 1 307.526 2.817 20 0 DFADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c(F)c1 ZINC000638045807 430216887 /nfs/dbraw/zinc/21/68/87/430216887.db2.gz RREZIOIRRAZVFF-HNNXBMFYSA-N 2 1 308.441 2.659 20 0 DFADMP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000565530822 430217065 /nfs/dbraw/zinc/21/70/65/430217065.db2.gz TVMXBAOZANQQFO-PBHICJAKSA-N 2 1 321.490 2.739 20 0 DFADMP Cc1ncc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)c(=O)[nH]1 ZINC000543414628 430247248 /nfs/dbraw/zinc/24/72/48/430247248.db2.gz IRGOSHKMQGOKQI-SUMWQHHRSA-N 2 1 318.465 2.623 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134964 430248130 /nfs/dbraw/zinc/24/81/30/430248130.db2.gz QTEZSNFSLSWSRN-WMLDXEAASA-N 2 1 318.461 2.965 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134964 430248133 /nfs/dbraw/zinc/24/81/33/430248133.db2.gz QTEZSNFSLSWSRN-WMLDXEAASA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134964 430248134 /nfs/dbraw/zinc/24/81/34/430248134.db2.gz QTEZSNFSLSWSRN-WMLDXEAASA-N 2 1 318.461 2.965 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+]([C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000638134964 430248138 /nfs/dbraw/zinc/24/81/38/430248138.db2.gz QTEZSNFSLSWSRN-WMLDXEAASA-N 2 1 318.461 2.965 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230455 430250272 /nfs/dbraw/zinc/25/02/72/430250272.db2.gz XJVVLVZVWFJYOC-IBGZPJMESA-N 2 1 310.445 2.961 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230455 430250274 /nfs/dbraw/zinc/25/02/74/430250274.db2.gz XJVVLVZVWFJYOC-IBGZPJMESA-N 2 1 310.445 2.961 20 0 DFADMP COCCc1ncc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000638146704 430251176 /nfs/dbraw/zinc/25/11/76/430251176.db2.gz PLGTUOUWROGYOO-AWEZNQCLSA-N 2 1 320.462 2.502 20 0 DFADMP COCCc1ncc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000638146704 430251179 /nfs/dbraw/zinc/25/11/79/430251179.db2.gz PLGTUOUWROGYOO-AWEZNQCLSA-N 2 1 320.462 2.502 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000566417735 430257800 /nfs/dbraw/zinc/25/78/00/430257800.db2.gz XOYDGNNFWIWVQC-QGZVFWFLSA-N 2 1 309.417 2.649 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](n2ncc3ccccc32)C1 ZINC000566417735 430257803 /nfs/dbraw/zinc/25/78/03/430257803.db2.gz XOYDGNNFWIWVQC-QGZVFWFLSA-N 2 1 309.417 2.649 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000566415095 430257885 /nfs/dbraw/zinc/25/78/85/430257885.db2.gz WXGSOESBNRQLHX-IBGZPJMESA-N 2 1 313.445 2.686 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000566415095 430257889 /nfs/dbraw/zinc/25/78/89/430257889.db2.gz WXGSOESBNRQLHX-IBGZPJMESA-N 2 1 313.445 2.686 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)[C@@H](C)C(C)C)CC2)CC1 ZINC000566432982 430260561 /nfs/dbraw/zinc/26/05/61/430260561.db2.gz MAXHEOITNCBDRT-INIZCTEOSA-N 2 1 323.525 2.686 20 0 DFADMP CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000635404886 430268893 /nfs/dbraw/zinc/26/88/93/430268893.db2.gz JZYINQZVQYJOLG-NUJGCVRESA-N 2 1 317.477 2.621 20 0 DFADMP C[C@H](Cc1ccsc1)[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000544008753 430270016 /nfs/dbraw/zinc/27/00/16/430270016.db2.gz PBZHCQUDTIPNDL-XLNGHYISSA-N 2 1 308.491 2.863 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000635407492 430270105 /nfs/dbraw/zinc/27/01/05/430270105.db2.gz ZEMKDXXXUZVATI-QAPCUYQASA-N 2 1 320.481 2.633 20 0 DFADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000635415226 430274853 /nfs/dbraw/zinc/27/48/53/430274853.db2.gz ATTUJYKNQMQAED-QGZVFWFLSA-N 2 1 315.461 2.605 20 0 DFADMP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000638217167 430275655 /nfs/dbraw/zinc/27/56/55/430275655.db2.gz MZRNGKCYWZQIKY-HZPDHXFCSA-N 2 1 323.868 2.576 20 0 DFADMP C[NH+](C)C1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000581720110 430233473 /nfs/dbraw/zinc/23/34/73/430233473.db2.gz ZPJBRLSGXYDWKJ-UHFFFAOYSA-N 2 1 309.498 2.630 20 0 DFADMP c1cn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638298397 430297035 /nfs/dbraw/zinc/29/70/35/430297035.db2.gz OYXDTVNQGZGLNS-IEBWSBKVSA-N 2 1 310.445 2.841 20 0 DFADMP c1cn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638298397 430297036 /nfs/dbraw/zinc/29/70/36/430297036.db2.gz OYXDTVNQGZGLNS-IEBWSBKVSA-N 2 1 310.445 2.841 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638304297 430299445 /nfs/dbraw/zinc/29/94/45/430299445.db2.gz DYBMLJRQMUDPGI-REPLKXPHSA-N 2 1 300.446 2.655 20 0 DFADMP C[NH+](C)C1(C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000638308279 430300098 /nfs/dbraw/zinc/30/00/98/430300098.db2.gz UYWOZGOFZGCSHZ-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCCC[NH+]1CCCCC1 ZINC000635547324 430303795 /nfs/dbraw/zinc/30/37/95/430303795.db2.gz FWAQXXLBGMWOFO-UHFFFAOYSA-N 2 1 320.481 2.779 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c(C)c1 ZINC000567995260 430304161 /nfs/dbraw/zinc/30/41/61/430304161.db2.gz GEIKMNCGDOJUNT-UHFFFAOYSA-N 2 1 316.489 2.938 20 0 DFADMP CC[C@H](C[NH2+]C[C@H]1CCN(c2ccccc2)C1)[NH+]1CCCC1 ZINC000638354474 430312772 /nfs/dbraw/zinc/31/27/72/430312772.db2.gz NUICVSAZOFOPJT-QZTJIDSGSA-N 2 1 301.478 2.977 20 0 DFADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1)CC(C)C ZINC000638354003 430312793 /nfs/dbraw/zinc/31/27/93/430312793.db2.gz UOUQXIDBRCVXNT-BBWFWOEESA-N 2 1 311.514 2.780 20 0 DFADMP C[NH+](C)C[C@H]1CCCCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000545310117 430313950 /nfs/dbraw/zinc/31/39/50/430313950.db2.gz OREZHOILTBMEPP-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CO[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C1CCOCC1 ZINC000638366565 430318349 /nfs/dbraw/zinc/31/83/49/430318349.db2.gz OJUYVPIGCWOOIC-AEFFLSMTSA-N 2 1 312.498 2.530 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2C)CC1)C1CC1 ZINC000638380855 430323051 /nfs/dbraw/zinc/32/30/51/430323051.db2.gz ZUZNGPSTKFTRBE-LJQANCHMSA-N 2 1 302.462 2.974 20 0 DFADMP C[C@H](C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1)[NH+]1CC(C)C1 ZINC000568191797 430328872 /nfs/dbraw/zinc/32/88/72/430328872.db2.gz SULDSZOCBVWJHX-JKSUJKDBSA-N 2 1 317.477 2.572 20 0 DFADMP CCC[C@@H](C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)OC ZINC000638421411 430337993 /nfs/dbraw/zinc/33/79/93/430337993.db2.gz VFKHAYDIFPIGEL-LPHOPBHVSA-N 2 1 320.477 2.812 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]CCCc2cnn(C)c2)c1 ZINC000638434646 430341164 /nfs/dbraw/zinc/34/11/64/430341164.db2.gz OLFIJVUZGHDIQE-UHFFFAOYSA-N 2 1 314.477 2.983 20 0 DFADMP CC(C)OC[C@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000546028825 430343219 /nfs/dbraw/zinc/34/32/19/430343219.db2.gz SSKDSLLJWCZFDH-OAHLLOKOSA-N 2 1 321.446 2.560 20 0 DFADMP CC(C)OC[C@H]1C[N@@H+](Cc2cc(-n3ccnc3)cs2)CCO1 ZINC000546028825 430343222 /nfs/dbraw/zinc/34/32/22/430343222.db2.gz SSKDSLLJWCZFDH-OAHLLOKOSA-N 2 1 321.446 2.560 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638720268 430416692 /nfs/dbraw/zinc/41/66/92/430416692.db2.gz HZGOVLGLKNZNRA-BHIYHBOVSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638720268 430416695 /nfs/dbraw/zinc/41/66/95/430416695.db2.gz HZGOVLGLKNZNRA-BHIYHBOVSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638720270 430416922 /nfs/dbraw/zinc/41/69/22/430416922.db2.gz HZGOVLGLKNZNRA-QXAKKESOSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638720270 430416927 /nfs/dbraw/zinc/41/69/27/430416927.db2.gz HZGOVLGLKNZNRA-QXAKKESOSA-N 2 1 302.462 2.961 20 0 DFADMP CC[C@](C)(C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)OC ZINC000638523246 430367768 /nfs/dbraw/zinc/36/77/68/430367768.db2.gz DMUGNMYSTVZHQW-GOSISDBHSA-N 2 1 323.481 2.908 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CS[C@H](C)C3)C2)nc(C)[nH+]1 ZINC000638534597 430370776 /nfs/dbraw/zinc/37/07/76/430370776.db2.gz XRFNJZNRKHREHW-SNPRPXQTSA-N 2 1 306.479 2.546 20 0 DFADMP Cc1cnc(CC[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)s1 ZINC000568641785 430377708 /nfs/dbraw/zinc/37/77/08/430377708.db2.gz QLLQACPFSQLTNW-UHFFFAOYSA-N 2 1 301.459 2.772 20 0 DFADMP CO[C@H](C[NH2+]C[C@H]1CCC[N@H+](C(C)C)C1)Cc1ccccc1 ZINC000638566784 430378536 /nfs/dbraw/zinc/37/85/36/430378536.db2.gz QNBPYVYDEKYWEH-MOPGFXCFSA-N 2 1 304.478 2.954 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000120419445 277619048 /nfs/dbraw/zinc/61/90/48/277619048.db2.gz HFHQRZZQYMOGHG-OAHLLOKOSA-N 2 1 324.490 2.617 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000568740307 430386637 /nfs/dbraw/zinc/38/66/37/430386637.db2.gz FEMUPDZMUJCOCP-JSGCOSHPSA-N 2 1 309.841 2.741 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCCN1CCC([N@@H+]2CCOC[C@@H]2C)CC1 ZINC000583330412 430386856 /nfs/dbraw/zinc/38/68/56/430386856.db2.gz YQIFIHUJFCADJW-ZIFCJYIRSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCCN1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000583330412 430386861 /nfs/dbraw/zinc/38/68/61/430386861.db2.gz YQIFIHUJFCADJW-ZIFCJYIRSA-N 2 1 324.509 2.767 20 0 DFADMP CC(C)[C@H]1C[C@@H](NC[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc21 ZINC000568742802 430387406 /nfs/dbraw/zinc/38/74/06/430387406.db2.gz XHORNJWGBZBAAE-ATZDWAIDSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](O)CN(C)C2CC2)c2ccccc21 ZINC000568742802 430387410 /nfs/dbraw/zinc/38/74/10/430387410.db2.gz XHORNJWGBZBAAE-ATZDWAIDSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)c2ccccc21 ZINC000568742802 430387412 /nfs/dbraw/zinc/38/74/12/430387412.db2.gz XHORNJWGBZBAAE-ATZDWAIDSA-N 2 1 302.462 2.916 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)c2ccccc21 ZINC000568742802 430387415 /nfs/dbraw/zinc/38/74/15/430387415.db2.gz XHORNJWGBZBAAE-ATZDWAIDSA-N 2 1 302.462 2.916 20 0 DFADMP Cc1cccc(C2(C[NH2+]C[C@H](O)C[N@@H+](C)C3CC3)CCCC2)c1 ZINC000583436024 430392800 /nfs/dbraw/zinc/39/28/00/430392800.db2.gz OHYYHFALMICLQY-IBGZPJMESA-N 2 1 316.489 2.852 20 0 DFADMP Cc1cccc(C2(C[NH2+]C[C@H](O)C[N@H+](C)C3CC3)CCCC2)c1 ZINC000583436024 430392806 /nfs/dbraw/zinc/39/28/06/430392806.db2.gz OHYYHFALMICLQY-IBGZPJMESA-N 2 1 316.489 2.852 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1 ZINC000638644032 430398729 /nfs/dbraw/zinc/39/87/29/430398729.db2.gz NXQIGDKUVXFBTH-QAPCUYQASA-N 2 1 317.477 2.789 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CSc3ccccc32)CC1 ZINC000638655241 430401297 /nfs/dbraw/zinc/40/12/97/430401297.db2.gz IACVIUYKTCIXSC-OAHLLOKOSA-N 2 1 306.475 2.658 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+][C@H]2CSc3ccccc32)CC1 ZINC000638655239 430401609 /nfs/dbraw/zinc/40/16/09/430401609.db2.gz IACVIUYKTCIXSC-HNNXBMFYSA-N 2 1 306.475 2.658 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccco1 ZINC000583493854 430401744 /nfs/dbraw/zinc/40/17/44/430401744.db2.gz CKZFVSWLHRWLCJ-KVSKMBFKSA-N 2 1 314.429 2.514 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1ccccc1CC[NH3+] ZINC000568894379 430404269 /nfs/dbraw/zinc/40/42/69/430404269.db2.gz KTMZPZJSTXDLPM-KRWDZBQOSA-N 2 1 317.477 2.572 20 0 DFADMP CO[C@H](C[NH2+]CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000638673878 430406776 /nfs/dbraw/zinc/40/67/76/430406776.db2.gz ARARBFGVDFBLNA-SFHVURJKSA-N 2 1 301.434 2.819 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CC1(F)F ZINC000638686306 430407495 /nfs/dbraw/zinc/40/74/95/430407495.db2.gz ISJVOPAQQQGRNK-RKTXRCNFSA-N 2 1 324.415 2.503 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1CC1(F)F ZINC000638686306 430407497 /nfs/dbraw/zinc/40/74/97/430407497.db2.gz ISJVOPAQQQGRNK-RKTXRCNFSA-N 2 1 324.415 2.503 20 0 DFADMP C[C@@H]1CC[C@H](C[NH3+])[N@H+](CCc2nc(-c3ccccc3)no2)[C@H]1C ZINC000641810270 430480676 /nfs/dbraw/zinc/48/06/76/430480676.db2.gz UXFWKWFFJCZMPC-IJEWVQPXSA-N 2 1 314.433 2.727 20 0 DFADMP C[C@@H]1CC[C@H](C[NH3+])[N@@H+](CCc2nc(-c3ccccc3)no2)[C@H]1C ZINC000641810270 430480678 /nfs/dbraw/zinc/48/06/78/430480678.db2.gz UXFWKWFFJCZMPC-IJEWVQPXSA-N 2 1 314.433 2.727 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638790432 430434930 /nfs/dbraw/zinc/43/49/30/430434930.db2.gz LMCZURSRVXKWOY-SJLPKXTDSA-N 2 1 302.462 2.963 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638790432 430434933 /nfs/dbraw/zinc/43/49/33/430434933.db2.gz LMCZURSRVXKWOY-SJLPKXTDSA-N 2 1 302.462 2.963 20 0 DFADMP C[NH+](C)CCC[C@H]1CN(c2cc(C(C)(C)C)cc[nH+]2)CCO1 ZINC000641672155 430439094 /nfs/dbraw/zinc/43/90/94/430439094.db2.gz PEQOGCAQFILXHO-INIZCTEOSA-N 2 1 305.466 2.926 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000548064242 430443007 /nfs/dbraw/zinc/44/30/07/430443007.db2.gz DWKSSLKQPSVLMX-QGZVFWFLSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548061405 430443283 /nfs/dbraw/zinc/44/32/83/430443283.db2.gz ULSQHDZGZPZPFW-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548061405 430443286 /nfs/dbraw/zinc/44/32/86/430443286.db2.gz ULSQHDZGZPZPFW-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061405 430443291 /nfs/dbraw/zinc/44/32/91/430443291.db2.gz ULSQHDZGZPZPFW-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548061408 430443996 /nfs/dbraw/zinc/44/39/96/430443996.db2.gz ULSQHDZGZPZPFW-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@H]1C[NH+]2CCCC[C@H]2CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548061408 430444001 /nfs/dbraw/zinc/44/40/01/430444001.db2.gz ULSQHDZGZPZPFW-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@H]1C[NH+]2CCCC[C@H]2CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061408 430444006 /nfs/dbraw/zinc/44/40/06/430444006.db2.gz ULSQHDZGZPZPFW-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cnc(-c3ccccc3)nc1)C2 ZINC000548095891 430447562 /nfs/dbraw/zinc/44/75/62/430447562.db2.gz CURXUZGDWMORFT-HNNXBMFYSA-N 2 1 319.412 2.692 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641708496 430449549 /nfs/dbraw/zinc/44/95/49/430449549.db2.gz RVGSGDMVCAATDE-KBPBESRZSA-N 2 1 316.449 2.726 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(Cl)cc(Cl)c2N)CC1 ZINC000638839086 430451544 /nfs/dbraw/zinc/45/15/44/430451544.db2.gz XAFREWOGWGRZQO-UHFFFAOYSA-N 2 1 300.233 2.927 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641728382 430453190 /nfs/dbraw/zinc/45/31/90/430453190.db2.gz RADGKUNVOXUNAM-OAHLLOKOSA-N 2 1 310.445 2.979 20 0 DFADMP C[C@H](NCC[N@H+]1CC[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155711 430453175 /nfs/dbraw/zinc/45/31/75/430453175.db2.gz CIFXJNPMUVZGDX-WSTZPKSXSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NCC[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155711 430453180 /nfs/dbraw/zinc/45/31/80/430453180.db2.gz CIFXJNPMUVZGDX-WSTZPKSXSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NCC[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155711 430453183 /nfs/dbraw/zinc/45/31/83/430453183.db2.gz CIFXJNPMUVZGDX-WSTZPKSXSA-N 2 1 315.505 2.828 20 0 DFADMP C[N@@H+](Cc1ccccc1NC(=O)NC1C[NH2+]C1)C1CCCCC1 ZINC000569437215 430453600 /nfs/dbraw/zinc/45/36/00/430453600.db2.gz DAKMAKJZJMLSQQ-UHFFFAOYSA-N 2 1 316.449 2.544 20 0 DFADMP C[N@H+]1CCC[C@@H](CNCc2ccncc2N)[C@H]1c1cccs1 ZINC000641728841 430453954 /nfs/dbraw/zinc/45/39/54/430453954.db2.gz ILARLURPKHGJGL-YOEHRIQHSA-N 2 1 316.474 2.898 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)[C@H]1c1cccs1 ZINC000641728841 430453962 /nfs/dbraw/zinc/45/39/62/430453962.db2.gz ILARLURPKHGJGL-YOEHRIQHSA-N 2 1 316.474 2.898 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)[C@H]1c1cccs1 ZINC000641728841 430453965 /nfs/dbraw/zinc/45/39/65/430453965.db2.gz ILARLURPKHGJGL-YOEHRIQHSA-N 2 1 316.474 2.898 20 0 DFADMP CC(C)([NH3+])CC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852039 430455334 /nfs/dbraw/zinc/45/53/34/430455334.db2.gz UQFMFBAASNVAHL-KRWDZBQOSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000569472622 430457623 /nfs/dbraw/zinc/45/76/23/430457623.db2.gz ILXWERPFTFKEEG-NEPJUHHUSA-N 2 1 317.355 2.500 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1N)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000641746107 430458855 /nfs/dbraw/zinc/45/88/55/430458855.db2.gz MZJSTTXKKJQSFQ-CRAIPNDOSA-N 2 1 310.445 2.664 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]Cc1cc2ccc(C)cc2[nH]1 ZINC000641770365 430467081 /nfs/dbraw/zinc/46/70/81/430467081.db2.gz ONUIIWZOYOOUHP-INIZCTEOSA-N 2 1 303.450 2.659 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@H]1[NH+](C)CCCC1(C)C)C1CCCCC1 ZINC000548394265 430468913 /nfs/dbraw/zinc/46/89/13/430468913.db2.gz OPMJDPSYLKIZGY-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000638894157 430470050 /nfs/dbraw/zinc/47/00/50/430470050.db2.gz PNYBJDMQBLWCFR-QAPCUYQASA-N 2 1 317.477 2.584 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548392890 430470226 /nfs/dbraw/zinc/47/02/26/430470226.db2.gz WMAWAKHCRCCAQQ-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CC[C@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548392890 430470230 /nfs/dbraw/zinc/47/02/30/430470230.db2.gz WMAWAKHCRCCAQQ-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548392890 430470233 /nfs/dbraw/zinc/47/02/33/430470233.db2.gz WMAWAKHCRCCAQQ-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2ccc(Cl)cc2Cl)C[C@@H]1[NH3+] ZINC000641803715 430477544 /nfs/dbraw/zinc/47/75/44/430477544.db2.gz FBXMXTXNXHTZGI-NWDGAFQWSA-N 2 1 316.232 2.647 20 0 DFADMP CC(C)(C)[C@H](NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1cccs1 ZINC000641804205 430477841 /nfs/dbraw/zinc/47/78/41/430477841.db2.gz JNLCCMYFKWRPJE-KCQAQPDRSA-N 2 1 323.506 2.667 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641804377 430477924 /nfs/dbraw/zinc/47/79/24/430477924.db2.gz IBIYFWDRYDLJGR-QMCVQRASSA-N 2 1 317.477 2.748 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641804376 430477990 /nfs/dbraw/zinc/47/79/90/430477990.db2.gz IBIYFWDRYDLJGR-LLLHUVSDSA-N 2 1 317.477 2.748 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc2ccccc21 ZINC000641805123 430478386 /nfs/dbraw/zinc/47/83/86/430478386.db2.gz LYMXTYBOIONQPG-AFAVFJNCSA-N 2 1 311.429 2.882 20 0 DFADMP Cc1cc(C)c(NC(=O)C[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(Cl)c1 ZINC000641805529 430478782 /nfs/dbraw/zinc/47/87/82/430478782.db2.gz NKJDQAAZDATYAV-OLZOCXBDSA-N 2 1 309.841 2.611 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000641804615 430479021 /nfs/dbraw/zinc/47/90/21/430479021.db2.gz IUFGADWGEFZHSS-GHMZBOCLSA-N 2 1 316.232 2.647 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1C ZINC000641810268 430480382 /nfs/dbraw/zinc/48/03/82/430480382.db2.gz UXFWKWFFJCZMPC-FMKPAKJESA-N 2 1 314.433 2.727 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCc2nc(-c3ccccc3)no2)[C@@H]1C ZINC000641810268 430480386 /nfs/dbraw/zinc/48/03/86/430480386.db2.gz UXFWKWFFJCZMPC-FMKPAKJESA-N 2 1 314.433 2.727 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583752553 430425413 /nfs/dbraw/zinc/42/54/13/430425413.db2.gz PMSCOIPBPXAQDF-OKZBNKHCSA-N 2 1 314.473 2.933 20 0 DFADMP CC1(C)[C@H](O)C[C@@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583752553 430425415 /nfs/dbraw/zinc/42/54/15/430425415.db2.gz PMSCOIPBPXAQDF-OKZBNKHCSA-N 2 1 314.473 2.933 20 0 DFADMP c1cc2c(cc1C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000583758177 430426193 /nfs/dbraw/zinc/42/61/93/430426193.db2.gz XWORZQOYRJLHHS-HXUWFJFHSA-N 3 1 313.489 2.783 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000583758177 430426197 /nfs/dbraw/zinc/42/61/97/430426197.db2.gz XWORZQOYRJLHHS-HXUWFJFHSA-N 3 1 313.489 2.783 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CN[C@@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000569737870 430482808 /nfs/dbraw/zinc/48/28/08/430482808.db2.gz DZNWMOHPIRRIQS-NVXWUHKLSA-N 2 1 313.449 2.604 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CC[C@H]1C(F)(F)F ZINC000641825494 430484575 /nfs/dbraw/zinc/48/45/75/430484575.db2.gz YCAIDCDJSABXLP-MGPQQGTHSA-N 2 1 320.399 2.937 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CC[C@H]1C(F)(F)F ZINC000641825494 430484577 /nfs/dbraw/zinc/48/45/77/430484577.db2.gz YCAIDCDJSABXLP-MGPQQGTHSA-N 2 1 320.399 2.937 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](C[C@H]2CCC3(CCCC3)O2)CC[C@@H]1C(F)(F)F ZINC000641825493 430484818 /nfs/dbraw/zinc/48/48/18/430484818.db2.gz YCAIDCDJSABXLP-MCIONIFRSA-N 2 1 320.399 2.937 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@H]2CCC3(CCCC3)O2)CC[C@@H]1C(F)(F)F ZINC000641825493 430484823 /nfs/dbraw/zinc/48/48/23/430484823.db2.gz YCAIDCDJSABXLP-MCIONIFRSA-N 2 1 320.399 2.937 20 0 DFADMP COC[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000638973162 430485050 /nfs/dbraw/zinc/48/50/50/430485050.db2.gz XZUMQGOZKFXJFT-WDSOQIARSA-N 2 1 318.461 2.606 20 0 DFADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)OC ZINC000638973162 430485053 /nfs/dbraw/zinc/48/50/53/430485053.db2.gz XZUMQGOZKFXJFT-WDSOQIARSA-N 2 1 318.461 2.606 20 0 DFADMP CC1(C)CCC[C@@H](C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000569909085 430496820 /nfs/dbraw/zinc/49/68/20/430496820.db2.gz LBBXNURFDIONOW-ZBFHGGJFSA-N 2 1 305.470 2.590 20 0 DFADMP CC(C)CCc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000570070363 430511527 /nfs/dbraw/zinc/51/15/27/430511527.db2.gz OSBNBWAZBVZBEY-OAHLLOKOSA-N 2 1 306.454 2.622 20 0 DFADMP CC[C@](C)(C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639079534 430513644 /nfs/dbraw/zinc/51/36/44/430513644.db2.gz FTTCZTXONREICN-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@](C)(C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639079534 430513646 /nfs/dbraw/zinc/51/36/46/430513646.db2.gz FTTCZTXONREICN-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@](C)(C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639079534 430513650 /nfs/dbraw/zinc/51/36/50/430513650.db2.gz FTTCZTXONREICN-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@](C)(C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639079534 430513654 /nfs/dbraw/zinc/51/36/54/430513654.db2.gz FTTCZTXONREICN-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@](C)(C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639079534 430513657 /nfs/dbraw/zinc/51/36/57/430513657.db2.gz FTTCZTXONREICN-QZTJIDSGSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080643 430513914 /nfs/dbraw/zinc/51/39/14/430513914.db2.gz MMXABZYDRATYSP-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080643 430513917 /nfs/dbraw/zinc/51/39/17/430513917.db2.gz MMXABZYDRATYSP-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080643 430513920 /nfs/dbraw/zinc/51/39/20/430513920.db2.gz MMXABZYDRATYSP-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639080643 430513923 /nfs/dbraw/zinc/51/39/23/430513923.db2.gz MMXABZYDRATYSP-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639080643 430513927 /nfs/dbraw/zinc/51/39/27/430513927.db2.gz MMXABZYDRATYSP-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP C[N@@H+](Cc1ccc2nccnc2c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077501 430514355 /nfs/dbraw/zinc/51/43/55/430514355.db2.gz MQRAZOVHIGTQJK-OAHLLOKOSA-N 2 1 307.401 2.521 20 0 DFADMP C[N@H+](Cc1ccc2nccnc2c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000639077501 430514358 /nfs/dbraw/zinc/51/43/58/430514358.db2.gz MQRAZOVHIGTQJK-OAHLLOKOSA-N 2 1 307.401 2.521 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000570174117 430521051 /nfs/dbraw/zinc/52/10/51/430521051.db2.gz YGGFYYWEXQFSAS-RISCZKNCSA-N 2 1 320.824 2.744 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000570176986 430522432 /nfs/dbraw/zinc/52/24/32/430522432.db2.gz KHAICYOELRTPLM-WMZOPIPTSA-N 2 1 310.445 2.867 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639105684 430526498 /nfs/dbraw/zinc/52/64/98/430526498.db2.gz USRLIWXOJPUFON-HLLBOEOZSA-N 2 1 324.415 2.960 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639105684 430526503 /nfs/dbraw/zinc/52/65/03/430526503.db2.gz USRLIWXOJPUFON-HLLBOEOZSA-N 2 1 324.415 2.960 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C12CCCC2 ZINC000639107914 430528872 /nfs/dbraw/zinc/52/88/72/430528872.db2.gz USFMVRRRBKLGMI-ARFHVFGLSA-N 2 1 303.450 2.773 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000549755444 430530359 /nfs/dbraw/zinc/53/03/59/430530359.db2.gz MLUZWOVROXADBB-ULQDDVLXSA-N 2 1 310.482 2.820 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C1 ZINC000549755443 430530906 /nfs/dbraw/zinc/53/09/06/430530906.db2.gz MLUZWOVROXADBB-GVDBMIGSSA-N 2 1 310.482 2.820 20 0 DFADMP Cn1cncc1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000570525491 430551880 /nfs/dbraw/zinc/55/18/80/430551880.db2.gz PFZVOWHGDCOOHY-SFHVURJKSA-N 3 1 318.509 2.941 20 0 DFADMP Cn1cncc1CCCN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000570525491 430551883 /nfs/dbraw/zinc/55/18/83/430551883.db2.gz PFZVOWHGDCOOHY-SFHVURJKSA-N 3 1 318.509 2.941 20 0 DFADMP Cc1nc(C[NH2+][C@H]2CCC[C@@H]([NH3+])C2)sc1Br ZINC000570529188 430552243 /nfs/dbraw/zinc/55/22/43/430552243.db2.gz LRRPKKBMJJJLFB-BDAKNGLRSA-N 2 1 304.257 2.574 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639173059 430552868 /nfs/dbraw/zinc/55/28/68/430552868.db2.gz SORCOMQFYCRXAQ-QXAKKESOSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639173059 430552873 /nfs/dbraw/zinc/55/28/73/430552873.db2.gz SORCOMQFYCRXAQ-QXAKKESOSA-N 2 1 300.446 2.715 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639170311 430553862 /nfs/dbraw/zinc/55/38/62/430553862.db2.gz STZZEQCPIWMPEC-MSOLQXFVSA-N 2 1 301.478 2.833 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639189234 430563953 /nfs/dbraw/zinc/56/39/53/430563953.db2.gz DXFPIMRENWMYFU-IEBWSBKVSA-N 2 1 310.445 2.910 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639189234 430563956 /nfs/dbraw/zinc/56/39/56/430563956.db2.gz DXFPIMRENWMYFU-IEBWSBKVSA-N 2 1 310.445 2.910 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CCN(Cc3cccc(C4CC4)c3)CC2)C1 ZINC000643285616 430573874 /nfs/dbraw/zinc/57/38/74/430573874.db2.gz XMSNWUVFQIIXKC-HXUWFJFHSA-N 2 1 313.489 2.776 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3cccc(C4CC4)c3)CC2)C1 ZINC000643285616 430573881 /nfs/dbraw/zinc/57/38/81/430573881.db2.gz XMSNWUVFQIIXKC-HXUWFJFHSA-N 2 1 313.489 2.776 20 0 DFADMP C[C@H]1CC[C@H](O)C[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000643295765 430576811 /nfs/dbraw/zinc/57/68/11/430576811.db2.gz PYWVERKEPXKBSV-WMZOPIPTSA-N 2 1 318.461 2.506 20 0 DFADMP COCC[NH2+]C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000570805945 430578591 /nfs/dbraw/zinc/57/85/91/430578591.db2.gz SMRSWFOJBPHXBE-UHFFFAOYSA-N 2 1 308.491 2.620 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000552047818 430581108 /nfs/dbraw/zinc/58/11/08/430581108.db2.gz ZTFANYIMHBFQTJ-TVFCKZIOSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000552047818 430581114 /nfs/dbraw/zinc/58/11/14/430581114.db2.gz ZTFANYIMHBFQTJ-TVFCKZIOSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CCC[NH+](C(C)(C)CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000552047818 430581120 /nfs/dbraw/zinc/58/11/20/430581120.db2.gz ZTFANYIMHBFQTJ-TVFCKZIOSA-N 2 1 307.526 2.959 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000571042377 430599344 /nfs/dbraw/zinc/59/93/44/430599344.db2.gz BGSVRPOCSBYGQH-NMXXFREBSA-N 2 1 315.461 2.910 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)c1 ZINC000571042377 430599345 /nfs/dbraw/zinc/59/93/45/430599345.db2.gz BGSVRPOCSBYGQH-NMXXFREBSA-N 2 1 315.461 2.910 20 0 DFADMP CCOC(=O)C1([N@H+](C)CCCc2c[nH+]cn2C)CCCCC1 ZINC000571772700 430652117 /nfs/dbraw/zinc/65/21/17/430652117.db2.gz GSPUHAAIFJYKLI-UHFFFAOYSA-N 2 1 307.438 2.551 20 0 DFADMP CCOC(=O)C1([N@@H+](C)CCCc2c[nH+]cn2C)CCCCC1 ZINC000571772700 430652122 /nfs/dbraw/zinc/65/21/22/430652122.db2.gz GSPUHAAIFJYKLI-UHFFFAOYSA-N 2 1 307.438 2.551 20 0 DFADMP COCCOc1ccccc1CNC[C@H]1CC[N@H+](C(C)C)C1 ZINC000554882618 430653929 /nfs/dbraw/zinc/65/39/29/430653929.db2.gz LATZGLVRPYTLDZ-MRXNPFEDSA-N 2 1 306.450 2.532 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1 ZINC000554882618 430653930 /nfs/dbraw/zinc/65/39/30/430653930.db2.gz LATZGLVRPYTLDZ-MRXNPFEDSA-N 2 1 306.450 2.532 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1 ZINC000554882618 430653934 /nfs/dbraw/zinc/65/39/34/430653934.db2.gz LATZGLVRPYTLDZ-MRXNPFEDSA-N 2 1 306.450 2.532 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457653 430604483 /nfs/dbraw/zinc/60/44/83/430604483.db2.gz UPSPIDAPJPWDFZ-YSIASYRMSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457653 430604485 /nfs/dbraw/zinc/60/44/85/430604485.db2.gz UPSPIDAPJPWDFZ-YSIASYRMSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000643457653 430604495 /nfs/dbraw/zinc/60/44/95/430604495.db2.gz UPSPIDAPJPWDFZ-YSIASYRMSA-N 3 1 315.505 2.876 20 0 DFADMP CNC(=O)c1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000643459741 430604533 /nfs/dbraw/zinc/60/45/33/430604533.db2.gz DHPNECZJQWFNPF-MOPGFXCFSA-N 2 1 323.440 2.629 20 0 DFADMP CCN(CC(C)C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000552971397 430604630 /nfs/dbraw/zinc/60/46/30/430604630.db2.gz VYFKEPLMGPRVCI-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP [NH3+]C[C@@H]([NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCCC1 ZINC000643511407 430611240 /nfs/dbraw/zinc/61/12/40/430611240.db2.gz FGAOGIRAXUTCSY-ROKHWSDSSA-N 2 1 308.388 2.720 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@H]1O)c1cc2c(ccc3ccccc23)o1 ZINC000643531414 430612950 /nfs/dbraw/zinc/61/29/50/430612950.db2.gz NTMYNATXFFPINP-RVSPLBMKSA-N 2 1 310.397 2.817 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643536487 430614543 /nfs/dbraw/zinc/61/45/43/430614543.db2.gz UIPQQWQAEFXIDM-YTQUADARSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000643536487 430614546 /nfs/dbraw/zinc/61/45/46/430614546.db2.gz UIPQQWQAEFXIDM-YTQUADARSA-N 2 1 313.489 2.629 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546840 430616154 /nfs/dbraw/zinc/61/61/54/430616154.db2.gz VSNKRWCIUYFSOL-SUMWQHHRSA-N 2 1 301.434 2.970 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000639360400 430620132 /nfs/dbraw/zinc/62/01/32/430620132.db2.gz WYHXCCXIYMBZTN-NMLACTOBSA-N 2 1 314.473 2.912 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H](c2ccccn2)C2CCC2)CC1 ZINC000639368046 430621980 /nfs/dbraw/zinc/62/19/80/430621980.db2.gz PLRIVYDPLLJSBE-GOSISDBHSA-N 2 1 317.477 2.748 20 0 DFADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000553777263 430622593 /nfs/dbraw/zinc/62/25/93/430622593.db2.gz YVZJCJPJYYDQBO-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000554376655 430635101 /nfs/dbraw/zinc/63/51/01/430635101.db2.gz DIGGZONSWZTHJB-YTQUADARSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000554376655 430635106 /nfs/dbraw/zinc/63/51/06/430635106.db2.gz DIGGZONSWZTHJB-YTQUADARSA-N 2 1 304.478 2.894 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](C(C)(C)C)CC1 ZINC000554539506 430641533 /nfs/dbraw/zinc/64/15/33/430641533.db2.gz GLCOPGBTXGSTMT-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000554539506 430641535 /nfs/dbraw/zinc/64/15/35/430641535.db2.gz GLCOPGBTXGSTMT-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910778 430641952 /nfs/dbraw/zinc/64/19/52/430641952.db2.gz AHZMTGDJCSGZDK-WJFTUGDTSA-N 2 1 300.446 2.666 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000555377746 430666990 /nfs/dbraw/zinc/66/69/90/430666990.db2.gz UOWPABCQAGVOJG-MOPGFXCFSA-N 2 1 305.510 2.976 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@@H]1C ZINC000572055678 430670305 /nfs/dbraw/zinc/67/03/05/430670305.db2.gz MFUAMECMFUYMQQ-QWHCGFSZSA-N 2 1 307.463 2.549 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639593208 430677532 /nfs/dbraw/zinc/67/75/32/430677532.db2.gz RJCJSQOWLADNEV-KRWDZBQOSA-N 2 1 323.444 2.953 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@H](Cn2cnc3ccccc32)C1 ZINC000639593208 430677533 /nfs/dbraw/zinc/67/75/33/430677533.db2.gz RJCJSQOWLADNEV-KRWDZBQOSA-N 2 1 323.444 2.953 20 0 DFADMP COc1cccc2c1CC[N@@H+](CC[C@@H]1CCCC[NH+]1C)CC2 ZINC000373229978 278027934 /nfs/dbraw/zinc/02/79/34/278027934.db2.gz PMGFVGPBLMBHKF-KRWDZBQOSA-N 2 1 302.462 2.970 20 0 DFADMP COc1cccc2c1CC[NH+](CC[C@@H]1CCCC[N@@H+]1C)CC2 ZINC000373229978 278027936 /nfs/dbraw/zinc/02/79/36/278027936.db2.gz PMGFVGPBLMBHKF-KRWDZBQOSA-N 2 1 302.462 2.970 20 0 DFADMP COc1cccc2c1CC[NH+](CC[C@@H]1CCCC[N@H+]1C)CC2 ZINC000373229978 278027938 /nfs/dbraw/zinc/02/79/38/278027938.db2.gz PMGFVGPBLMBHKF-KRWDZBQOSA-N 2 1 302.462 2.970 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000572594729 430691208 /nfs/dbraw/zinc/69/12/08/430691208.db2.gz DJROZRIGDPHIJP-DLBZAZTESA-N 2 1 319.424 2.679 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000572594729 430691209 /nfs/dbraw/zinc/69/12/09/430691209.db2.gz DJROZRIGDPHIJP-DLBZAZTESA-N 2 1 319.424 2.679 20 0 DFADMP CCn1c2ccccc2nc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000556782408 430692103 /nfs/dbraw/zinc/69/21/03/430692103.db2.gz XQNJOIUNDOAXML-HNNXBMFYSA-N 2 1 300.450 2.878 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[NH+](C)C1CC1 ZINC000274928847 278284251 /nfs/dbraw/zinc/28/42/51/278284251.db2.gz QNICHMBJEQLARC-JENIJYKNSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@H+](C)C1CC1 ZINC000274928847 278284253 /nfs/dbraw/zinc/28/42/53/278284253.db2.gz QNICHMBJEQLARC-JENIJYKNSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1)[N@@H+](C)C1CC1 ZINC000274928847 278284254 /nfs/dbraw/zinc/28/42/54/278284254.db2.gz QNICHMBJEQLARC-JENIJYKNSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928847 278284255 /nfs/dbraw/zinc/28/42/55/278284255.db2.gz QNICHMBJEQLARC-JENIJYKNSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)N(C)C1CC1 ZINC000274928847 278284256 /nfs/dbraw/zinc/28/42/56/278284256.db2.gz QNICHMBJEQLARC-JENIJYKNSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2ccccc21 ZINC000247169296 278287114 /nfs/dbraw/zinc/28/71/14/278287114.db2.gz YKXCVOJUKJMIDS-CBZIJGRNSA-N 2 1 301.478 2.756 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C1 ZINC000556938517 430696264 /nfs/dbraw/zinc/69/62/64/430696264.db2.gz CJJWZOJLASXPEN-AWEZNQCLSA-N 2 1 318.490 2.969 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000269043760 278297888 /nfs/dbraw/zinc/29/78/88/278297888.db2.gz XWSMGYWBSCPVSD-WHEVEAIOSA-N 2 1 304.478 2.859 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000572897879 430698119 /nfs/dbraw/zinc/69/81/19/430698119.db2.gz ZORPISYKWLIXMN-KRWDZBQOSA-N 2 1 303.450 2.634 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC2(CCC2)[C@@H]1C1CCOCC1 ZINC000572897879 430698120 /nfs/dbraw/zinc/69/81/20/430698120.db2.gz ZORPISYKWLIXMN-KRWDZBQOSA-N 2 1 303.450 2.634 20 0 DFADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccc1OC ZINC000248170998 288038971 /nfs/dbraw/zinc/03/89/71/288038971.db2.gz UTEPIKAEUXUOKU-WMZOPIPTSA-N 2 1 320.477 2.973 20 0 DFADMP Brc1c[nH+]ccc1NCC1CC[NH+](CC2CC2)CC1 ZINC000664647907 430715053 /nfs/dbraw/zinc/71/50/53/430715053.db2.gz WXQGJVAGURQQJX-UHFFFAOYSA-N 2 1 324.266 2.800 20 0 DFADMP O[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C12CCC2 ZINC000657710888 430717371 /nfs/dbraw/zinc/71/73/71/430717371.db2.gz YMNQBJFBTHTYKL-MOPGFXCFSA-N 2 1 314.473 2.587 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCCC2(C)C)o1 ZINC000654535534 430727003 /nfs/dbraw/zinc/72/70/03/430727003.db2.gz KGSMYBUSCLDUQI-UHFFFAOYSA-N 2 1 321.465 2.726 20 0 DFADMP CC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)COC1 ZINC000657772360 430732849 /nfs/dbraw/zinc/73/28/49/430732849.db2.gz MENNGRQDNCNEQY-GOSISDBHSA-N 2 1 314.473 2.915 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000644513145 430739372 /nfs/dbraw/zinc/73/93/72/430739372.db2.gz POQQFRMUOZKKRA-RTWAWAEBSA-N 2 1 324.468 2.626 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+][C@@H]1CCc2ccccc2C1 ZINC000644513145 430739378 /nfs/dbraw/zinc/73/93/78/430739378.db2.gz POQQFRMUOZKKRA-RTWAWAEBSA-N 2 1 324.468 2.626 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccc2ccccc2c1 ZINC000644521990 430740914 /nfs/dbraw/zinc/74/09/14/430740914.db2.gz NDNJUPQLZIZLDC-PCCBWWKXSA-N 2 1 324.468 2.960 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccc2ccccc2c1 ZINC000644521990 430740919 /nfs/dbraw/zinc/74/09/19/430740919.db2.gz NDNJUPQLZIZLDC-PCCBWWKXSA-N 2 1 324.468 2.960 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]CCC(=O)Nc1ccccc1F ZINC000644573765 430756197 /nfs/dbraw/zinc/75/61/97/430756197.db2.gz JEFMIMQZZHJQMH-UHFFFAOYSA-N 2 1 318.396 2.729 20 0 DFADMP COc1nccc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)n1 ZINC000648357826 430759416 /nfs/dbraw/zinc/75/94/16/430759416.db2.gz QUMFTLUJUPXIMW-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP CC1(C)C[N@@H+](CCO)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836863 430759789 /nfs/dbraw/zinc/75/97/89/430759789.db2.gz RIYUPHKIRLJLTK-GOSISDBHSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000657876034 430759826 /nfs/dbraw/zinc/75/98/26/430759826.db2.gz SZFPNBSCELNGKD-CABCVRRESA-N 2 1 318.383 2.539 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCSCC2)CC1 ZINC000657899109 430763287 /nfs/dbraw/zinc/76/32/87/430763287.db2.gz VWSGTBCEJQJVCE-HNNXBMFYSA-N 2 1 300.512 2.751 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]C3CC(CF)(CF)C3)C2)nc(C)[nH+]1 ZINC000657942766 430772847 /nfs/dbraw/zinc/77/28/47/430772847.db2.gz CXVDYHMOMPYUIB-CQSZACIVSA-N 2 1 324.419 2.740 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCCSCC3)C2)nc(C)[nH+]1 ZINC000657942911 430773824 /nfs/dbraw/zinc/77/38/24/430773824.db2.gz FGNMXXHFNQMMMW-HOTGVXAUSA-N 2 1 320.506 2.938 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000658121009 430819518 /nfs/dbraw/zinc/81/95/18/430819518.db2.gz YZCZZXKETBICPB-IMJJTQAJSA-N 2 1 304.434 2.666 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000658121009 430819524 /nfs/dbraw/zinc/81/95/24/430819524.db2.gz YZCZZXKETBICPB-IMJJTQAJSA-N 2 1 304.434 2.666 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661723567 430820279 /nfs/dbraw/zinc/82/02/79/430820279.db2.gz OTGQCSFTTNTOAL-QFBILLFUSA-N 2 1 313.445 2.972 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCF)cc2)C1 ZINC000658134928 430820975 /nfs/dbraw/zinc/82/09/75/430820975.db2.gz CFNAYMITCUVYDN-OTWHNJEPSA-N 2 1 320.452 2.871 20 0 DFADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658136218 430821300 /nfs/dbraw/zinc/82/13/00/430821300.db2.gz CIZLFJYQXHJIGD-CEXWTWQISA-N 2 1 302.462 2.922 20 0 DFADMP CC[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136223 430821545 /nfs/dbraw/zinc/82/15/45/430821545.db2.gz CIZLFJYQXHJIGD-QRVBRYPASA-N 2 1 302.462 2.922 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cscn1 ZINC000658140050 430822165 /nfs/dbraw/zinc/82/21/65/430822165.db2.gz SFTUHUPLPVKNQZ-XJKSGUPXSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1cscn1 ZINC000658140050 430822171 /nfs/dbraw/zinc/82/21/71/430822171.db2.gz SFTUHUPLPVKNQZ-XJKSGUPXSA-N 2 1 317.458 2.561 20 0 DFADMP OC/C=C/C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658141743 430823579 /nfs/dbraw/zinc/82/35/79/430823579.db2.gz XVYAXMCPHATPTN-FNMLWVPJSA-N 2 1 300.446 2.568 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658142861 430823666 /nfs/dbraw/zinc/82/36/66/430823666.db2.gz FCAHAWYLZRYZJP-MNEFBYGVSA-N 2 1 302.462 2.922 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCO1 ZINC000648446151 430791440 /nfs/dbraw/zinc/79/14/40/430791440.db2.gz FIXNHYAYBAEYID-IXDOHACOSA-N 2 1 318.465 2.609 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648454328 430792356 /nfs/dbraw/zinc/79/23/56/430792356.db2.gz COOCNHGWYNVRKU-VQTJNVASSA-N 2 1 316.489 2.761 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccccc2C1 ZINC000648454326 430793785 /nfs/dbraw/zinc/79/37/85/430793785.db2.gz COOCNHGWYNVRKU-PMACEKPBSA-N 2 1 316.489 2.761 20 0 DFADMP COC[C@H](CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)OC ZINC000658084197 430803448 /nfs/dbraw/zinc/80/34/48/430803448.db2.gz IGJKLHURCBXXIC-NEWSRXKRSA-N 2 1 320.477 2.538 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](C3CCCCC3)C2)[C@H]2CCC[C@H]21 ZINC000658230494 430845675 /nfs/dbraw/zinc/84/56/75/430845675.db2.gz ZEJLJSIFPJYKBF-OQIJWPOYSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]2CCC[C@H]21 ZINC000658230494 430845678 /nfs/dbraw/zinc/84/56/78/430845678.db2.gz ZEJLJSIFPJYKBF-OQIJWPOYSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@H]2CCC[C@H]21 ZINC000658230494 430845682 /nfs/dbraw/zinc/84/56/82/430845682.db2.gz ZEJLJSIFPJYKBF-OQIJWPOYSA-N 2 1 305.510 2.856 20 0 DFADMP CCc1ccccc1NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000665196514 430853831 /nfs/dbraw/zinc/85/38/31/430853831.db2.gz SQYROTFZULXLII-HNNXBMFYSA-N 2 1 320.481 2.643 20 0 DFADMP CCc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000665196514 430853834 /nfs/dbraw/zinc/85/38/34/430853834.db2.gz SQYROTFZULXLII-HNNXBMFYSA-N 2 1 320.481 2.643 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cccc2c1CCC2 ZINC000651714017 430855981 /nfs/dbraw/zinc/85/59/81/430855981.db2.gz MUHDZLXGDCJVAQ-GOSISDBHSA-N 2 1 302.462 2.502 20 0 DFADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(F)F ZINC000658281757 430860701 /nfs/dbraw/zinc/86/07/01/430860701.db2.gz RZEUSYUYAQHOMT-ZIAGYGMSSA-N 2 1 302.409 2.511 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665234994 430862866 /nfs/dbraw/zinc/86/28/66/430862866.db2.gz NVADHEBLZDBGDK-AAEUAGOBSA-N 2 1 316.371 2.896 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2Cl)C1 ZINC000665235509 430863343 /nfs/dbraw/zinc/86/33/43/430863343.db2.gz WSDPRHOQUIQICN-FMKPAKJESA-N 2 1 307.869 2.754 20 0 DFADMP C[C@@H](NCC1([NH3+])CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665247895 430869214 /nfs/dbraw/zinc/86/92/14/430869214.db2.gz LKFGEAISUVVXQD-SJLPKXTDSA-N 2 1 301.478 2.758 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000651772020 430871805 /nfs/dbraw/zinc/87/18/05/430871805.db2.gz YLLFETVLXGNVPJ-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000651772020 430871812 /nfs/dbraw/zinc/87/18/12/430871812.db2.gz YLLFETVLXGNVPJ-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000648734498 430872663 /nfs/dbraw/zinc/87/26/63/430872663.db2.gz NUNXBJPDKFMXSG-ARFHVFGLSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000648734498 430872667 /nfs/dbraw/zinc/87/26/67/430872667.db2.gz NUNXBJPDKFMXSG-ARFHVFGLSA-N 2 1 320.481 2.633 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)[C@H]2CCOC2)cc1 ZINC000665255450 430872900 /nfs/dbraw/zinc/87/29/00/430872900.db2.gz SSFVATKORAIILH-CBVHJVASSA-N 2 1 318.461 2.545 20 0 DFADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCC[C@H](OC)C2)cc1 ZINC000665256015 430872912 /nfs/dbraw/zinc/87/29/12/430872912.db2.gz LPLLVRFMJMKYJH-GDAAHCPNSA-N 2 1 318.461 2.688 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)on2)cc1 ZINC000665261739 430874096 /nfs/dbraw/zinc/87/40/96/430874096.db2.gz KFUFOGJFINKXCZ-UKRRQHHQSA-N 2 1 315.417 2.828 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@@H](C)[C@H]3CCC[NH2+]C3)on2)cc1 ZINC000665261740 430874274 /nfs/dbraw/zinc/87/42/74/430874274.db2.gz KFUFOGJFINKXCZ-ZFWWWQNUSA-N 2 1 315.417 2.828 20 0 DFADMP COC[C@H](CC(C)(C)C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000651786124 430875208 /nfs/dbraw/zinc/87/52/08/430875208.db2.gz LYHFHAMPFPVOHQ-CVEARBPZSA-N 2 1 300.487 2.528 20 0 DFADMP Cc1ccc2oc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1 ZINC000665262257 430875462 /nfs/dbraw/zinc/87/54/62/430875462.db2.gz XDAUMULKJLJGLB-OKZBNKHCSA-N 2 1 314.429 2.988 20 0 DFADMP Brc1ccc(CC2(C[NH2+][C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000665264717 430875776 /nfs/dbraw/zinc/87/57/76/430875776.db2.gz GTPDEJPJXUCGSD-CQSZACIVSA-N 2 1 309.251 2.723 20 0 DFADMP CO[C@@]1(C)C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658330509 430876922 /nfs/dbraw/zinc/87/69/22/430876922.db2.gz DPHZPGVEQJUNMF-FQBWVUSXSA-N 2 1 300.446 2.949 20 0 DFADMP CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC1(C)C ZINC000648742491 430878269 /nfs/dbraw/zinc/87/82/69/430878269.db2.gz NHMXSZJJIZMGLL-SFHVURJKSA-N 2 1 320.477 2.874 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000651809611 430884097 /nfs/dbraw/zinc/88/40/97/430884097.db2.gz BUTVSKLKQKVGMN-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c(F)c1 ZINC000651809611 430884102 /nfs/dbraw/zinc/88/41/02/430884102.db2.gz BUTVSKLKQKVGMN-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1cccc(Cl)c1 ZINC000665289805 430885604 /nfs/dbraw/zinc/88/56/04/430885604.db2.gz XNHMNKLLIXEEIM-CYBMUJFWSA-N 2 1 306.797 2.535 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H](C2CCC2)C1)C[N@H+]1CC[C@H](C2CCC2)C1 ZINC000665288047 430886252 /nfs/dbraw/zinc/88/62/52/430886252.db2.gz BGMNQRDPDOMEGI-REPLKXPHSA-N 2 1 306.494 2.591 20 0 DFADMP O[C@@H](C[NH+]1CC[C@H](C2CCC2)C1)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288047 430886258 /nfs/dbraw/zinc/88/62/58/430886258.db2.gz BGMNQRDPDOMEGI-REPLKXPHSA-N 2 1 306.494 2.591 20 0 DFADMP O[C@@H](C[NH+]1CC[C@H](C2CCC2)C1)C[N@H+]1CC[C@@H](C2CCC2)C1 ZINC000665288047 430886264 /nfs/dbraw/zinc/88/62/64/430886264.db2.gz BGMNQRDPDOMEGI-REPLKXPHSA-N 2 1 306.494 2.591 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)on1 ZINC000665299301 430888189 /nfs/dbraw/zinc/88/81/89/430888189.db2.gz KDSVRVSFYLUBSA-KBPBESRZSA-N 2 1 315.417 2.828 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCC[C@@H]1Cc1cnn(C)c1 ZINC000661775905 430838871 /nfs/dbraw/zinc/83/88/71/430838871.db2.gz DHVVSRCGSVQSBG-MSOLQXFVSA-N 2 1 315.465 2.706 20 0 DFADMP CC(C)Cc1cccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665293254 430889806 /nfs/dbraw/zinc/88/98/06/430889806.db2.gz WWMUABNEWQVUQZ-CYBMUJFWSA-N 2 1 314.433 2.690 20 0 DFADMP CC(C)Cc1cccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c1 ZINC000665293255 430890047 /nfs/dbraw/zinc/89/00/47/430890047.db2.gz WWMUABNEWQVUQZ-ZDUSSCGKSA-N 2 1 314.433 2.690 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000645014893 430890889 /nfs/dbraw/zinc/89/08/89/430890889.db2.gz ALHUNTDNUDFUOC-JDGDGYACSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000645014893 430890891 /nfs/dbraw/zinc/89/08/91/430890891.db2.gz ALHUNTDNUDFUOC-JDGDGYACSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1CNCCC[N@H+](C)CC(C)C ZINC000651866034 430898161 /nfs/dbraw/zinc/89/81/61/430898161.db2.gz RFDCFNJCQLTDEO-UHFFFAOYSA-N 2 1 315.465 2.643 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000651866052 430898686 /nfs/dbraw/zinc/89/86/86/430898686.db2.gz RYZOPEPHGPYIFM-INIZCTEOSA-N 2 1 305.466 2.971 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000651866763 430898709 /nfs/dbraw/zinc/89/87/09/430898709.db2.gz QJPDLGVJUCSRLP-UHFFFAOYSA-N 2 1 300.450 2.940 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)C1 ZINC000655130784 430905521 /nfs/dbraw/zinc/90/55/21/430905521.db2.gz YOEJJDQNPAXOGX-CXAGYDPISA-N 2 1 301.434 2.516 20 0 DFADMP CC[N@H+](CCC[NH2+]Cc1cnc2cnccn12)C1CCCCC1 ZINC000651910312 430913206 /nfs/dbraw/zinc/91/32/06/430913206.db2.gz PBFBISDVCZRRHC-UHFFFAOYSA-N 2 1 315.465 2.864 20 0 DFADMP CC[N@@H+](CCC[NH2+]Cc1cnc2cnccn12)C1CCCCC1 ZINC000651910312 430913209 /nfs/dbraw/zinc/91/32/09/430913209.db2.gz PBFBISDVCZRRHC-UHFFFAOYSA-N 2 1 315.465 2.864 20 0 DFADMP CCCN(CC[NH+]1CCCC1)C(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648901204 430931046 /nfs/dbraw/zinc/93/10/46/430931046.db2.gz STVUEFAYIRMASM-MRXNPFEDSA-N 2 1 320.481 2.731 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CC[C@H](C4CC[NH+](C)CC4)C3)c2c1C ZINC000645199542 430933675 /nfs/dbraw/zinc/93/36/75/430933675.db2.gz GUGFIGNAHAKAEG-HNNXBMFYSA-N 2 1 313.449 2.743 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H](C3CCC3)C2)CC1 ZINC000662041520 430933650 /nfs/dbraw/zinc/93/36/50/430933650.db2.gz BRMBIWARYDGDDG-LJQANCHMSA-N 2 1 307.526 2.915 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000648923951 430938437 /nfs/dbraw/zinc/93/84/37/430938437.db2.gz ZKMKOBIAEMOQRW-AWEZNQCLSA-N 2 1 318.465 2.530 20 0 DFADMP FC1(F)Oc2ccc(CC[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2O1 ZINC000652038173 430942376 /nfs/dbraw/zinc/94/23/76/430942376.db2.gz LRMJWILURXFXIJ-KGLIPLIRSA-N 2 1 324.371 2.767 20 0 DFADMP CC[C@H](CC(C)C)C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1 ZINC000648934458 430942505 /nfs/dbraw/zinc/94/25/05/430942505.db2.gz BERXBLWXIFWGKX-AEFFLSMTSA-N 2 1 323.525 2.686 20 0 DFADMP CC[C@H](CC(C)C)C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000648934458 430942510 /nfs/dbraw/zinc/94/25/10/430942510.db2.gz BERXBLWXIFWGKX-AEFFLSMTSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662148479 430980472 /nfs/dbraw/zinc/98/04/72/430980472.db2.gz KTBOQLLUQYSTQY-MGPUTAFESA-N 2 1 314.473 2.767 20 0 DFADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662148479 430980477 /nfs/dbraw/zinc/98/04/77/430980477.db2.gz KTBOQLLUQYSTQY-MGPUTAFESA-N 2 1 314.473 2.767 20 0 DFADMP C[C@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1cccc(Cl)c1 ZINC000662151257 430980884 /nfs/dbraw/zinc/98/08/84/430980884.db2.gz HBXBQQUQBIAEIB-KDOFPFPSSA-N 2 1 322.880 2.975 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](CC[C@@H]3CCc4ccccc43)CC2)C1 ZINC000662148399 430980933 /nfs/dbraw/zinc/98/09/33/430980933.db2.gz KAPZEGGXCMJYHF-HKUYNNGSSA-N 2 1 314.473 2.638 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN(CCCc3ccccc3Cl)CC2)C1 ZINC000662152459 430981448 /nfs/dbraw/zinc/98/14/48/430981448.db2.gz FLHRUILOYINHRK-KRWDZBQOSA-N 2 1 322.880 2.804 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN([C@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000662154546 430981568 /nfs/dbraw/zinc/98/15/68/430981568.db2.gz XTJMIXYIIOMDKU-MJGOQNOKSA-N 2 1 318.436 2.734 20 0 DFADMP CC[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662157651 430982666 /nfs/dbraw/zinc/98/26/66/430982666.db2.gz MKEPIKFLCXLGBH-DOTOQJQBSA-N 2 1 309.498 2.628 20 0 DFADMP CC[N@@H+](CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1)C1CCCCC1 ZINC000652216136 430989492 /nfs/dbraw/zinc/98/94/92/430989492.db2.gz JVMPLSUYHIGVCC-JKSUJKDBSA-N 2 1 324.513 2.600 20 0 DFADMP CCCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000648996659 430963290 /nfs/dbraw/zinc/96/32/90/430963290.db2.gz XLRDWZBSOCKJRE-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C)CC1)c1cc(OC)c(OC)c(OC)c1 ZINC000652135320 430969892 /nfs/dbraw/zinc/96/98/92/430969892.db2.gz NITAOWNURKGARG-HNNXBMFYSA-N 2 1 322.449 2.847 20 0 DFADMP COc1ccccc1[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258506 431019784 /nfs/dbraw/zinc/01/97/84/431019784.db2.gz VOALQPCFQNFXJG-RDJZCZTQSA-N 2 1 316.445 2.743 20 0 DFADMP CC[C@@H]1CN2CCCC[C@@H]2C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662266184 431021396 /nfs/dbraw/zinc/02/13/96/431021396.db2.gz YSQCWHMPZRUSES-RTBURBONSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662266184 431021402 /nfs/dbraw/zinc/02/14/02/431021402.db2.gz YSQCWHMPZRUSES-RTBURBONSA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662266184 431021408 /nfs/dbraw/zinc/02/14/08/431021408.db2.gz YSQCWHMPZRUSES-RTBURBONSA-N 2 1 313.489 2.781 20 0 DFADMP Cc1cnn([C@@H]2CCC[N@@H+](Cc3cccc4c3CC[NH2+]C4)C2)c1 ZINC000662262421 431021839 /nfs/dbraw/zinc/02/18/39/431021839.db2.gz FKKBORCUULJXDD-GOSISDBHSA-N 2 1 310.445 2.674 20 0 DFADMP CCc1nc(C)c([C@@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262042 431022364 /nfs/dbraw/zinc/02/23/64/431022364.db2.gz DATFCFLYKRJOHE-CHWSQXEVSA-N 2 1 309.479 2.528 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(F)ccc3OC(F)F)C[C@H]21 ZINC000662264532 431023016 /nfs/dbraw/zinc/02/30/16/431023016.db2.gz DQQMJUBIRGAZDP-LERXQTSPSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(F)ccc3OC(F)F)C[C@H]21 ZINC000662264532 431023020 /nfs/dbraw/zinc/02/30/20/431023020.db2.gz DQQMJUBIRGAZDP-LERXQTSPSA-N 2 1 314.351 2.986 20 0 DFADMP CO[C@@H](C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1)C1CCC1 ZINC000662268016 431024150 /nfs/dbraw/zinc/02/41/50/431024150.db2.gz MBSIVWYSEYGDDZ-HOCLYGCPSA-N 2 1 323.506 2.678 20 0 DFADMP CO[C@@H](C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1)C1CCC1 ZINC000662268016 431024152 /nfs/dbraw/zinc/02/41/52/431024152.db2.gz MBSIVWYSEYGDDZ-HOCLYGCPSA-N 2 1 323.506 2.678 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000662267252 431024759 /nfs/dbraw/zinc/02/47/59/431024759.db2.gz TUTRMEXGTFXAOJ-OCCSQVGLSA-N 2 1 301.390 2.519 20 0 DFADMP c1ccc(C[C@@H]2COCC[N@H+]2Cc2ccc3c(c2)C[NH2+]CC3)cc1 ZINC000652337132 431025036 /nfs/dbraw/zinc/02/50/36/431025036.db2.gz MLBAKSLMXXUMFE-OAQYLSRUSA-N 2 1 322.452 2.776 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000652338910 431025680 /nfs/dbraw/zinc/02/56/80/431025680.db2.gz MAEYTZAPETWGLA-UHFFFAOYSA-N 3 1 315.505 2.885 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)CC[C@@H]1[NH3+] ZINC000662270100 431026242 /nfs/dbraw/zinc/02/62/42/431026242.db2.gz IHHZIZXYLNDAOI-DYVFJYSZSA-N 2 1 315.417 2.909 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3ccc(OC)cc3)no2)CC[C@@H]1[NH3+] ZINC000662270100 431026249 /nfs/dbraw/zinc/02/62/49/431026249.db2.gz IHHZIZXYLNDAOI-DYVFJYSZSA-N 2 1 315.417 2.909 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCSc3ccccc3)C2)C1 ZINC000652347978 431028642 /nfs/dbraw/zinc/02/86/42/431028642.db2.gz QOTXLPNNRAXFMI-NUJGCVRESA-N 2 1 320.502 2.997 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CCC[C@H](CC[NH3+])C3)on2)cc1 ZINC000662273699 431029477 /nfs/dbraw/zinc/02/94/77/431029477.db2.gz YPMOJHASAINMIM-CQSZACIVSA-N 2 1 315.417 2.911 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCOCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000652354439 431030743 /nfs/dbraw/zinc/03/07/43/431030743.db2.gz YRDDRJKXJVQBLN-SJLPKXTDSA-N 2 1 306.450 2.531 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@](C)(C[NH3+])C3)on2)cc1 ZINC000662274278 431031219 /nfs/dbraw/zinc/03/12/19/431031219.db2.gz UAHAIDVUGLFCMV-KRWDZBQOSA-N 2 1 301.390 2.521 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@](C)(C[NH3+])C3)on2)cc1 ZINC000662274278 431031224 /nfs/dbraw/zinc/03/12/24/431031224.db2.gz UAHAIDVUGLFCMV-KRWDZBQOSA-N 2 1 301.390 2.521 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652353825 431031243 /nfs/dbraw/zinc/03/12/43/431031243.db2.gz FBDBXYMFWXRNSX-PBHICJAKSA-N 2 1 303.450 2.637 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000652353825 431031247 /nfs/dbraw/zinc/03/12/47/431031247.db2.gz FBDBXYMFWXRNSX-PBHICJAKSA-N 2 1 303.450 2.637 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)on2)cc1 ZINC000662282909 431033206 /nfs/dbraw/zinc/03/32/06/431033206.db2.gz DGFOOPVMSALITR-JSGCOSHPSA-N 2 1 301.390 2.662 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)on2)cc1 ZINC000662282909 431033211 /nfs/dbraw/zinc/03/32/11/431033211.db2.gz DGFOOPVMSALITR-JSGCOSHPSA-N 2 1 301.390 2.662 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662291826 431034251 /nfs/dbraw/zinc/03/42/51/431034251.db2.gz ACHRGYHKMWKWLT-MRXNPFEDSA-N 2 1 318.465 2.939 20 0 DFADMP CC(C)c1noc([C@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291604 431034699 /nfs/dbraw/zinc/03/46/99/431034699.db2.gz JAAUQGSYWJRKLG-ZFWWWQNUSA-N 2 1 306.454 2.966 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293333 431034827 /nfs/dbraw/zinc/03/48/27/431034827.db2.gz QNXBCKBSEHXCEP-DOMZBBRYSA-N 2 1 304.438 2.720 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662292332 431035202 /nfs/dbraw/zinc/03/52/02/431035202.db2.gz DQLPLHABVHUIRQ-GOSISDBHSA-N 3 1 313.489 2.544 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000662286182 431035992 /nfs/dbraw/zinc/03/59/92/431035992.db2.gz PJQHGVBJIUVONS-CADBVGFASA-N 2 1 324.509 2.800 20 0 DFADMP Cc1ccccc1NC(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295320 431037691 /nfs/dbraw/zinc/03/76/91/431037691.db2.gz QAKXEEQQWJUVPV-KRWDZBQOSA-N 2 1 315.461 2.645 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662296379 431037872 /nfs/dbraw/zinc/03/78/72/431037872.db2.gz ZTDQQYUAFRVTEA-QGZVFWFLSA-N 2 1 315.461 2.645 20 0 DFADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297978 431038712 /nfs/dbraw/zinc/03/87/12/431038712.db2.gz SUGNUSGBHIGIPD-CQSZACIVSA-N 2 1 306.454 2.579 20 0 DFADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662297978 431038717 /nfs/dbraw/zinc/03/87/17/431038717.db2.gz SUGNUSGBHIGIPD-CQSZACIVSA-N 2 1 306.454 2.579 20 0 DFADMP CC1CCC(N(C)C(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662312794 431041523 /nfs/dbraw/zinc/04/15/23/431041523.db2.gz FEMGOJGFXJFKRV-GPQLOAJWSA-N 2 1 323.525 2.863 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1F ZINC000662313679 431043406 /nfs/dbraw/zinc/04/34/06/431043406.db2.gz VSIRWHBRMJVKNR-RHSMWYFYSA-N 2 1 321.440 2.912 20 0 DFADMP COc1cccc([C@H](C)[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662319277 431047388 /nfs/dbraw/zinc/04/73/88/431047388.db2.gz GCTXSOSQFBLZOG-YJBOKZPZSA-N 2 1 306.450 2.799 20 0 DFADMP COc1cccc([C@H](C)[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662319277 431047393 /nfs/dbraw/zinc/04/73/93/431047393.db2.gz GCTXSOSQFBLZOG-YJBOKZPZSA-N 2 1 306.450 2.799 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](CCCC(=O)c2ccccc2)CCO1 ZINC000662325955 431047430 /nfs/dbraw/zinc/04/74/30/431047430.db2.gz MFYMMVDZIPVEJW-GOSISDBHSA-N 2 1 318.461 2.692 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCC(=O)c2ccccc2)CCO1 ZINC000662325955 431047435 /nfs/dbraw/zinc/04/74/35/431047435.db2.gz MFYMMVDZIPVEJW-GOSISDBHSA-N 2 1 318.461 2.692 20 0 DFADMP C[N@@H+](CCCNC(=O)c1cccc2c1C[NH2+]C2)Cc1ccccc1 ZINC000662355090 431057852 /nfs/dbraw/zinc/05/78/52/431057852.db2.gz DNVGHNIBVQEVAJ-UHFFFAOYSA-N 2 1 323.440 2.542 20 0 DFADMP CC(C)([NH3+])CCC(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000649308949 431063296 /nfs/dbraw/zinc/06/32/96/431063296.db2.gz JJIBJVNGBVRRPK-CQSZACIVSA-N 2 1 323.506 2.594 20 0 DFADMP CCOc1ccc([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662248495 431012835 /nfs/dbraw/zinc/01/28/35/431012835.db2.gz DGUGUUDIMMSWBB-MSOLQXFVSA-N 2 1 316.445 2.743 20 0 DFADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253913 431014970 /nfs/dbraw/zinc/01/49/70/431014970.db2.gz YODODARVNCUMHC-CQSZACIVSA-N 2 1 314.351 2.658 20 0 DFADMP CC(C)[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000645494388 431016124 /nfs/dbraw/zinc/01/61/24/431016124.db2.gz GYPZEVAIAQLBLV-KRWDZBQOSA-N 2 1 305.466 2.516 20 0 DFADMP Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255956 431016177 /nfs/dbraw/zinc/01/61/77/431016177.db2.gz GSDPYRWPYOAOLM-QGZVFWFLSA-N 2 1 302.462 2.725 20 0 DFADMP C[C@@H](O)C[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662251164 431016763 /nfs/dbraw/zinc/01/67/63/431016763.db2.gz AGJWYIWVOCKEES-MRXNPFEDSA-N 2 1 310.441 2.715 20 0 DFADMP Cc1ccc(C(C)(C)C[N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662255954 431017230 /nfs/dbraw/zinc/01/72/30/431017230.db2.gz GSDPYRWPYOAOLM-KRWDZBQOSA-N 2 1 302.462 2.725 20 0 DFADMP CCCC[N@H+](Cc1ccccc1F)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662257400 431019464 /nfs/dbraw/zinc/01/94/64/431019464.db2.gz NTEZPIBYQGCSJC-INIZCTEOSA-N 2 1 306.425 2.949 20 0 DFADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655737640 431108882 /nfs/dbraw/zinc/10/88/82/431108882.db2.gz PVDKKPWFBFRIMN-BZSNNMDCSA-N 2 1 324.509 2.813 20 0 DFADMP C(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C[C@H]1CCCCO1 ZINC000655755118 431115028 /nfs/dbraw/zinc/11/50/28/431115028.db2.gz PLFBJSLGAGLIHL-MSOLQXFVSA-N 2 1 310.482 2.569 20 0 DFADMP CC1(C)CCC[C@@](O)(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655758766 431120933 /nfs/dbraw/zinc/12/09/33/431120933.db2.gz ZTIYZCDAZPPQGU-MJGOQNOKSA-N 2 1 324.509 2.551 20 0 DFADMP C[N@H+]1CCC[C@@H]1[C@@H]1CCCN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000645941454 431122109 /nfs/dbraw/zinc/12/21/09/431122109.db2.gz NDGMSRPRJOXKII-KURKYZTESA-N 2 1 315.461 2.552 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2cccc3c2C[NH2+]C3)C1 ZINC000662401813 431074665 /nfs/dbraw/zinc/07/46/65/431074665.db2.gz BMDUGPFNEBRMQU-CQSZACIVSA-N 2 1 315.461 2.530 20 0 DFADMP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000655683212 431081005 /nfs/dbraw/zinc/08/10/05/431081005.db2.gz PUEOOBOTXTWFKP-YJBOKZPZSA-N 2 1 320.502 2.893 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CCc3ccc(Cl)cc3)CC2)C1 ZINC000649382131 431083805 /nfs/dbraw/zinc/08/38/05/431083805.db2.gz MWFYXIPMGBPCMZ-SFHVURJKSA-N 2 1 321.896 2.594 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC/C=C\c3ccccc3)CC2)C1 ZINC000649382195 431084122 /nfs/dbraw/zinc/08/41/22/431084122.db2.gz TWTMDGALMOUZKM-KYRNDMNFSA-N 2 1 313.489 2.802 20 0 DFADMP C(C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)COC1CCCCC1 ZINC000655692077 431084737 /nfs/dbraw/zinc/08/47/37/431084737.db2.gz DLTSKADSYIIICV-KRWDZBQOSA-N 2 1 310.482 2.569 20 0 DFADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CC2 ZINC000655698612 431086505 /nfs/dbraw/zinc/08/65/05/431086505.db2.gz NNHFQDKTCDYWLP-ROUUACIJSA-N 2 1 302.462 2.727 20 0 DFADMP Clc1ccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655701059 431090884 /nfs/dbraw/zinc/09/08/84/431090884.db2.gz QDMTXWGUAYFWCT-MRXNPFEDSA-N 2 1 324.852 2.562 20 0 DFADMP c1ccc2c(c1)C[C@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655708381 431092202 /nfs/dbraw/zinc/09/22/02/431092202.db2.gz ILGVOZNOHZVDDP-WMZOPIPTSA-N 2 1 300.446 2.559 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655711825 431094023 /nfs/dbraw/zinc/09/40/23/431094023.db2.gz NLNSMNIKSUCGMO-MJGOQNOKSA-N 2 1 314.473 2.949 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655711824 431094871 /nfs/dbraw/zinc/09/48/71/431094871.db2.gz NLNSMNIKSUCGMO-IEBWSBKVSA-N 2 1 314.473 2.949 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000649415223 431095690 /nfs/dbraw/zinc/09/56/90/431095690.db2.gz QCMPHBPFYKBXOR-JKSUJKDBSA-N 2 1 312.461 2.580 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000649417996 431095853 /nfs/dbraw/zinc/09/58/53/431095853.db2.gz TXRCBPOYIXRXEL-SJORKVTESA-N 2 1 317.477 2.919 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncnc2C)[C@@H](C)C1 ZINC000655716501 431096485 /nfs/dbraw/zinc/09/64/85/431096485.db2.gz UNFKRDLIYDENJW-ZVZYQTTQSA-N 2 1 320.481 2.573 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncnc2C)[C@@H](C)C1 ZINC000655716501 431096490 /nfs/dbraw/zinc/09/64/90/431096490.db2.gz UNFKRDLIYDENJW-ZVZYQTTQSA-N 2 1 320.481 2.573 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C)SC2)[C@H](C)C1 ZINC000655714861 431096801 /nfs/dbraw/zinc/09/68/01/431096801.db2.gz FNVSYYKMVVRRHD-TWMKSMIVSA-N 2 1 314.539 2.997 20 0 DFADMP CCO[C@H](CC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C(C)C ZINC000655718308 431097204 /nfs/dbraw/zinc/09/72/04/431097204.db2.gz ITEYHXOJSMAUCN-QZTJIDSGSA-N 2 1 312.498 2.671 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)N(CC)[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000662502197 431098503 /nfs/dbraw/zinc/09/85/03/431098503.db2.gz JQHISQILVNJGRO-NXHRZFHOSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1ccccc1O[C@H](C)C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655720224 431100228 /nfs/dbraw/zinc/10/02/28/431100228.db2.gz QNOJKONQYXIQOP-AEFFLSMTSA-N 2 1 318.461 2.605 20 0 DFADMP C[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)c1cccc2c1C[NH2+]C2 ZINC000662512318 431103041 /nfs/dbraw/zinc/10/30/41/431103041.db2.gz OMSHDXQAPPILHZ-HNNXBMFYSA-N 2 1 323.440 2.540 20 0 DFADMP CCCC(O)(CCC)C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655728480 431103283 /nfs/dbraw/zinc/10/32/83/431103283.db2.gz VKAZXKLLTWOTRR-QGZVFWFLSA-N 2 1 312.498 2.551 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CC[C@H](C)SC2)C[C@H](C)O1 ZINC000655729142 431103606 /nfs/dbraw/zinc/10/36/06/431103606.db2.gz GQQVRQYPRCYLFF-XUWVNRHRSA-N 2 1 300.512 2.750 20 0 DFADMP Cc1cccc(C)c1CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655732411 431104762 /nfs/dbraw/zinc/10/47/62/431104762.db2.gz ATARJVAURODPEW-GOSISDBHSA-N 2 1 302.462 2.689 20 0 DFADMP O[C@@H]1CCCC[C@@H]1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655734896 431105662 /nfs/dbraw/zinc/10/56/62/431105662.db2.gz PJKREBRBAUKXRZ-BHIYHBOVSA-N 2 1 324.509 2.551 20 0 DFADMP Fc1cccc(F)c1CC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000645898549 431105678 /nfs/dbraw/zinc/10/56/78/431105678.db2.gz XFVCIDBRNCQUTP-HNNXBMFYSA-N 2 1 324.415 2.552 20 0 DFADMP Fc1cccc(F)c1CCN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000645898549 431105679 /nfs/dbraw/zinc/10/56/79/431105679.db2.gz XFVCIDBRNCQUTP-HNNXBMFYSA-N 2 1 324.415 2.552 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c(C)c1 ZINC000655732463 431106153 /nfs/dbraw/zinc/10/61/53/431106153.db2.gz CGILUPYBBVSTQG-LJQANCHMSA-N 2 1 318.461 2.737 20 0 DFADMP CN(CC[N@@H+](C)C[C@@H]1CCc2nccn2C1)Cc1ccccc1 ZINC000649460631 431108158 /nfs/dbraw/zinc/10/81/58/431108158.db2.gz DMTTYYPCKYREBA-SFHVURJKSA-N 2 1 312.461 2.509 20 0 DFADMP CN(CC[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000649460631 431108163 /nfs/dbraw/zinc/10/81/63/431108163.db2.gz DMTTYYPCKYREBA-SFHVURJKSA-N 2 1 312.461 2.509 20 0 DFADMP CN(CC[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000649460631 431108167 /nfs/dbraw/zinc/10/81/67/431108167.db2.gz DMTTYYPCKYREBA-SFHVURJKSA-N 2 1 312.461 2.509 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771483 431129075 /nfs/dbraw/zinc/12/90/75/431129075.db2.gz LXTMMYZMRLOFRY-IEBWSBKVSA-N 2 1 314.473 2.949 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccn1 ZINC000655772180 431130144 /nfs/dbraw/zinc/13/01/44/431130144.db2.gz VCWAPMNXAQFNPL-KRWDZBQOSA-N 2 1 317.477 2.592 20 0 DFADMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771371 431130500 /nfs/dbraw/zinc/13/05/00/431130500.db2.gz JEUFEGKKTPKGJJ-HOCLYGCPSA-N 2 1 318.486 2.719 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000649501479 431127249 /nfs/dbraw/zinc/12/72/49/431127249.db2.gz LALRQNRXWHSRSL-ZWKOTPCHSA-N 2 1 313.445 2.635 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000649501479 431127254 /nfs/dbraw/zinc/12/72/54/431127254.db2.gz LALRQNRXWHSRSL-ZWKOTPCHSA-N 2 1 313.445 2.635 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC1(C)CC[NH+](C)CC1)c1ccccc1 ZINC000272569488 279042631 /nfs/dbraw/zinc/04/26/31/279042631.db2.gz VPEUZVCFFQBSDV-QGZVFWFLSA-N 2 1 317.477 2.528 20 0 DFADMP c1ccc2c(c1)SC[C@H]2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771369 431127882 /nfs/dbraw/zinc/12/78/82/431127882.db2.gz JEUFEGKKTPKGJJ-GDBMZVCRSA-N 2 1 318.486 2.719 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC2(C[C@@H]2c2nnc(C)o2)CC1 ZINC000365188911 279094270 /nfs/dbraw/zinc/09/42/70/279094270.db2.gz HUKKQAPPFJZDNA-OAHLLOKOSA-N 2 1 306.454 2.679 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(OC)CCCCC2)C1 ZINC000361571894 279110020 /nfs/dbraw/zinc/11/00/20/279110020.db2.gz ORKYSLBGUDUBDE-QGZVFWFLSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(F)(F)F ZINC000655776193 431132525 /nfs/dbraw/zinc/13/25/25/431132525.db2.gz JROLSMUBPPLECV-GXTWGEPZSA-N 2 1 308.388 2.808 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC(C)CC1 ZINC000360947541 279134545 /nfs/dbraw/zinc/13/45/45/279134545.db2.gz NWVDKRABBSIACQ-QZTJIDSGSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)(C)O[C@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655779029 431137387 /nfs/dbraw/zinc/13/73/87/431137387.db2.gz AEMZWMNWDGLMBL-YESZJQIVSA-N 2 1 310.482 2.566 20 0 DFADMP C[C@H](CC(C)(C)O)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295116625 279248419 /nfs/dbraw/zinc/24/84/19/279248419.db2.gz VYBWJAPVCFDEMY-OAHLLOKOSA-N 2 1 322.468 2.972 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000158954158 279284321 /nfs/dbraw/zinc/28/43/21/279284321.db2.gz AVRGSPYMHRRQLD-AEFFLSMTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1)C1CCCC1 ZINC000158954158 279284325 /nfs/dbraw/zinc/28/43/25/279284325.db2.gz AVRGSPYMHRRQLD-AEFFLSMTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1)C1CCCC1 ZINC000158954158 279284327 /nfs/dbraw/zinc/28/43/27/279284327.db2.gz AVRGSPYMHRRQLD-AEFFLSMTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)N(C(=O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1)C1CCCC1 ZINC000158954158 279284331 /nfs/dbraw/zinc/28/43/31/279284331.db2.gz AVRGSPYMHRRQLD-AEFFLSMTSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C[C@H]1CCC[N@@H+]1C ZINC000649571957 431169021 /nfs/dbraw/zinc/16/90/21/431169021.db2.gz DTJFTSIRIXJBFX-ZHALLVOQSA-N 2 1 301.478 2.675 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C[C@H]1CCC[N@H+]1C ZINC000649571957 431169027 /nfs/dbraw/zinc/16/90/27/431169027.db2.gz DTJFTSIRIXJBFX-ZHALLVOQSA-N 2 1 301.478 2.675 20 0 DFADMP CCc1nocc1C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000646071212 431169738 /nfs/dbraw/zinc/16/97/38/431169738.db2.gz NBIRUWSUSDNMQF-CQSZACIVSA-N 2 1 300.406 2.874 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000649583684 431174167 /nfs/dbraw/zinc/17/41/67/431174167.db2.gz WAZDFJOYVOEUMC-JKSUJKDBSA-N 2 1 302.466 2.570 20 0 DFADMP CC[C@H](CC(F)F)C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000659892140 431177053 /nfs/dbraw/zinc/17/70/53/431177053.db2.gz RWZBIDSDCBJWKE-ZIAGYGMSSA-N 2 1 306.441 2.692 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](Cc2cnc3ccccc3n2)C1 ZINC000659901571 431179101 /nfs/dbraw/zinc/17/91/01/431179101.db2.gz WATWGFUTLCNQDG-INIZCTEOSA-N 2 1 307.401 2.972 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000659901571 431179107 /nfs/dbraw/zinc/17/91/07/431179107.db2.gz WATWGFUTLCNQDG-INIZCTEOSA-N 2 1 307.401 2.972 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662745333 431184506 /nfs/dbraw/zinc/18/45/06/431184506.db2.gz LYWSZXABKNICOU-WMZOPIPTSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cccc(C(F)F)c1)CCO2 ZINC000646106188 431187068 /nfs/dbraw/zinc/18/70/68/431187068.db2.gz RTTFEAJWHJJLGG-UHFFFAOYSA-N 2 1 310.388 2.921 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cccc(C(F)F)c1)CCO2 ZINC000646106188 431187075 /nfs/dbraw/zinc/18/70/75/431187075.db2.gz RTTFEAJWHJJLGG-UHFFFAOYSA-N 2 1 310.388 2.921 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CC/C=C\c1ccccc1)CCO2 ZINC000646106677 431187223 /nfs/dbraw/zinc/18/72/23/431187223.db2.gz LETRNAVLNRHAKX-UITAMQMPSA-N 2 1 300.446 2.887 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[NH+]1C[C@H](O)C[N@H+](C)C(C)C ZINC000659931527 431195192 /nfs/dbraw/zinc/19/51/92/431195192.db2.gz OWKMXPJUDXRTTO-RBUKOAKNSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000659931527 431195201 /nfs/dbraw/zinc/19/52/01/431195201.db2.gz OWKMXPJUDXRTTO-RBUKOAKNSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[N@@H+]1C[C@H](O)C[NH+](C)C(C)C ZINC000659931527 431195212 /nfs/dbraw/zinc/19/52/12/431195212.db2.gz OWKMXPJUDXRTTO-RBUKOAKNSA-N 2 1 304.478 2.703 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010207 431148145 /nfs/dbraw/zinc/14/81/45/431148145.db2.gz YWAFGHSJRCGAQB-PKOBYXMFSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010207 431148149 /nfs/dbraw/zinc/14/81/49/431148149.db2.gz YWAFGHSJRCGAQB-PKOBYXMFSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010207 431148153 /nfs/dbraw/zinc/14/81/53/431148153.db2.gz YWAFGHSJRCGAQB-PKOBYXMFSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010207 431148159 /nfs/dbraw/zinc/14/81/59/431148159.db2.gz YWAFGHSJRCGAQB-PKOBYXMFSA-N 2 1 320.452 2.678 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@H]1CCC[NH+]1C ZINC000649547682 431155403 /nfs/dbraw/zinc/15/54/03/431155403.db2.gz ZOVBPKSONBAINS-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C[C@H]1CCC[N@@H+]1C ZINC000649547682 431155406 /nfs/dbraw/zinc/15/54/06/431155406.db2.gz ZOVBPKSONBAINS-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C[C@H]1CCC[N@H+]1C ZINC000649547682 431155412 /nfs/dbraw/zinc/15/54/12/431155412.db2.gz ZOVBPKSONBAINS-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655805798 431157618 /nfs/dbraw/zinc/15/76/18/431157618.db2.gz SFINXLLBJIGEBD-FRYIKTPZSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655805798 431157626 /nfs/dbraw/zinc/15/76/26/431157626.db2.gz SFINXLLBJIGEBD-FRYIKTPZSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[C@H](N(C)C(=O)CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000646046041 431158230 /nfs/dbraw/zinc/15/82/30/431158230.db2.gz AKZZPWPNDGQBTM-SJLPKXTDSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655805801 431158365 /nfs/dbraw/zinc/15/83/65/431158365.db2.gz SFINXLLBJIGEBD-LMCOJAPRSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000655805801 431158371 /nfs/dbraw/zinc/15/83/71/431158371.db2.gz SFINXLLBJIGEBD-LMCOJAPRSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H]1CN(C[C@@H]2CCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000649622795 431201040 /nfs/dbraw/zinc/20/10/40/431201040.db2.gz UWYKVESXIKDOEZ-MJGOQNOKSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000649622795 431201045 /nfs/dbraw/zinc/20/10/45/431201045.db2.gz UWYKVESXIKDOEZ-MJGOQNOKSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000649622795 431201051 /nfs/dbraw/zinc/20/10/51/431201051.db2.gz UWYKVESXIKDOEZ-MJGOQNOKSA-N 2 1 301.478 2.535 20 0 DFADMP C[NH+](CCO[C@H]1CC1(F)F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659972160 431216816 /nfs/dbraw/zinc/21/68/16/431216816.db2.gz RRXRBRLSINNIDM-SJORKVTESA-N 2 1 324.415 2.865 20 0 DFADMP C[NH+](CCO[C@H]1CC1(F)F)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659972160 431216825 /nfs/dbraw/zinc/21/68/25/431216825.db2.gz RRXRBRLSINNIDM-SJORKVTESA-N 2 1 324.415 2.865 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC[N@@H+]1C ZINC000659984178 431219981 /nfs/dbraw/zinc/21/99/81/431219981.db2.gz DTEAVKJLSXPNJZ-ZACQAIPSSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC[N@H+]1C ZINC000659984178 431219985 /nfs/dbraw/zinc/21/99/85/431219985.db2.gz DTEAVKJLSXPNJZ-ZACQAIPSSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC[NH+]1C ZINC000659984178 431219993 /nfs/dbraw/zinc/21/99/93/431219993.db2.gz DTEAVKJLSXPNJZ-ZACQAIPSSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2CCCN(C(=O)C(C)(C)C)C2)CC[NH+]1C ZINC000659984178 431220001 /nfs/dbraw/zinc/22/00/01/431220001.db2.gz DTEAVKJLSXPNJZ-ZACQAIPSSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CC[N@@H+](C)CC23CCCCC3)C1 ZINC000659987600 431222655 /nfs/dbraw/zinc/22/26/55/431222655.db2.gz AYEALEWBELRNNI-QZTJIDSGSA-N 2 1 307.526 2.915 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000662876925 431223887 /nfs/dbraw/zinc/22/38/87/431223887.db2.gz CKFQHRXSMPNNIK-FUHWJXTLSA-N 2 1 315.461 2.518 20 0 DFADMP Cc1ccc([C@@H]([NH3+])C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000662876925 431223895 /nfs/dbraw/zinc/22/38/95/431223895.db2.gz CKFQHRXSMPNNIK-FUHWJXTLSA-N 2 1 315.461 2.518 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000660118795 431277969 /nfs/dbraw/zinc/27/79/69/431277969.db2.gz WYVUVLXXNLUJDP-CBBWQLFWSA-N 2 1 304.425 2.851 20 0 DFADMP CC(=O)c1[nH]c(CC[NH+]2CCC(CCC[NH+](C)C)CC2)nc1C ZINC000660156445 431293957 /nfs/dbraw/zinc/29/39/57/431293957.db2.gz GDMONHPJEIBHFG-UHFFFAOYSA-N 2 1 320.481 2.517 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000653176119 431294263 /nfs/dbraw/zinc/29/42/63/431294263.db2.gz KNROBPHAQPEGEG-QGZVFWFLSA-N 2 1 319.493 2.807 20 0 DFADMP C[C@@H]([NH2+]C1(c2cccc(OC(F)(F)F)c2)CC1)C1C[NH2+]C1 ZINC000656201924 431305677 /nfs/dbraw/zinc/30/56/77/431305677.db2.gz VJTUVLKMLLPUQJ-SNVBAGLBSA-N 2 1 300.324 2.772 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000653200624 431306958 /nfs/dbraw/zinc/30/69/58/431306958.db2.gz KSGPYSGMTRWLEO-SJORKVTESA-N 2 1 309.498 2.535 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1C[C@H](C)CC[NH2+]1)C1CCCCC1 ZINC000653200971 431307448 /nfs/dbraw/zinc/30/74/48/431307448.db2.gz VVSRCQKZZUEXHA-NVXWUHKLSA-N 2 1 309.498 2.535 20 0 DFADMP C[NH+]1CCC(Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656105677 431263656 /nfs/dbraw/zinc/26/36/56/431263656.db2.gz MNFBJMYSVUMBFW-UHFFFAOYSA-N 2 1 303.454 2.609 20 0 DFADMP C[N@H+]1CCN(CCC[NH+]2CCCCC2)[C@H](Cc2ccccc2)C1 ZINC000649828063 431320922 /nfs/dbraw/zinc/32/09/22/431320922.db2.gz BPSASGAWNGWWQJ-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](C)C[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC000660248263 431342356 /nfs/dbraw/zinc/34/23/56/431342356.db2.gz NTUKQPTYFTVCAN-SUMDDJOVSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](C)C[N@H+]2C[C@H](O)C[NH+](C)C(C)C)c1 ZINC000660248263 431342367 /nfs/dbraw/zinc/34/23/67/431342367.db2.gz NTUKQPTYFTVCAN-SUMDDJOVSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](C)C[NH+]2C[C@H](O)C[N@H+](C)C(C)C)c1 ZINC000660248263 431342373 /nfs/dbraw/zinc/34/23/73/431342373.db2.gz NTUKQPTYFTVCAN-SUMDDJOVSA-N 2 1 320.477 2.779 20 0 DFADMP COc1cccc([C@@H]2C[C@@H](C)C[NH+]2C[C@H](O)C[N@@H+](C)C(C)C)c1 ZINC000660248263 431342382 /nfs/dbraw/zinc/34/23/82/431342382.db2.gz NTUKQPTYFTVCAN-SUMDDJOVSA-N 2 1 320.477 2.779 20 0 DFADMP C[C@H](O)C[N@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000656277621 431354853 /nfs/dbraw/zinc/35/48/53/431354853.db2.gz CVJMFRHFKBWYRV-INIZCTEOSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H](O)C[N@@H+](CC(C)(C)C[NH+](C)Cc1ccccc1)C1CC1 ZINC000656277621 431354859 /nfs/dbraw/zinc/35/48/59/431354859.db2.gz CVJMFRHFKBWYRV-INIZCTEOSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H](O)C[NH+](CC(C)(C)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000656277621 431354867 /nfs/dbraw/zinc/35/48/67/431354867.db2.gz CVJMFRHFKBWYRV-INIZCTEOSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H](O)C[NH+](CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC1 ZINC000656277621 431354876 /nfs/dbraw/zinc/35/48/76/431354876.db2.gz CVJMFRHFKBWYRV-INIZCTEOSA-N 2 1 304.478 2.990 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000656281527 431355769 /nfs/dbraw/zinc/35/57/69/431355769.db2.gz ZFSLODLRGPXIND-SFHVURJKSA-N 2 1 318.461 2.772 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1 ZINC000660291152 431362445 /nfs/dbraw/zinc/36/24/45/431362445.db2.gz VLWGRKDKHFPANM-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000660291152 431362451 /nfs/dbraw/zinc/36/24/51/431362451.db2.gz VLWGRKDKHFPANM-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000660291152 431362456 /nfs/dbraw/zinc/36/24/56/431362456.db2.gz VLWGRKDKHFPANM-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663346191 431375030 /nfs/dbraw/zinc/37/50/30/431375030.db2.gz QHSPAYMRAPVQPH-KRWDZBQOSA-N 2 1 304.482 2.731 20 0 DFADMP CCn1nc(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663346191 431375036 /nfs/dbraw/zinc/37/50/36/431375036.db2.gz QHSPAYMRAPVQPH-KRWDZBQOSA-N 2 1 304.482 2.731 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)c(-c2cc3ccccc3o2)n1 ZINC000666834148 431375190 /nfs/dbraw/zinc/37/51/90/431375190.db2.gz IPJPEJCQSOIEDR-OAHLLOKOSA-N 2 1 310.401 2.660 20 0 DFADMP CC[C@@H]1CN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[C@H]1[NH3+] ZINC000653472122 431390928 /nfs/dbraw/zinc/39/09/28/431390928.db2.gz GQGHYCOOBMNNRL-HUUCEWRRSA-N 2 1 317.481 2.667 20 0 DFADMP CC[NH+]1CCN(CCNc2cc[nH+]c3cc(Cl)ccc23)CC1 ZINC000663385670 431397664 /nfs/dbraw/zinc/39/76/64/431397664.db2.gz IWLTULAALYVYRR-UHFFFAOYSA-N 2 1 318.852 2.938 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474687 431438739 /nfs/dbraw/zinc/43/87/39/431438739.db2.gz PGYNGEGSSVQHRY-RISCZKNCSA-N 2 1 301.356 2.920 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474687 431438746 /nfs/dbraw/zinc/43/87/46/431438746.db2.gz PGYNGEGSSVQHRY-RISCZKNCSA-N 2 1 301.356 2.920 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1Cl ZINC000663498524 431445457 /nfs/dbraw/zinc/44/54/57/431445457.db2.gz PKKPMWSHGUTQHF-POZPTJLLSA-N 2 1 321.852 2.707 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000663499489 431446324 /nfs/dbraw/zinc/44/63/24/431446324.db2.gz WSRUHNPIQKLEOA-TZGCNFNXSA-N 2 1 315.461 2.869 20 0 DFADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000663510009 431450608 /nfs/dbraw/zinc/45/06/08/431450608.db2.gz CCTLATIMGWYNRE-ZJUUUORDSA-N 2 1 303.219 2.717 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000653607165 431457170 /nfs/dbraw/zinc/45/71/70/431457170.db2.gz WRDXFIMNTMDFLM-DOTOQJQBSA-N 2 1 308.466 2.685 20 0 DFADMP CCN(C)C[C@H](O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000653607165 431457177 /nfs/dbraw/zinc/45/71/77/431457177.db2.gz WRDXFIMNTMDFLM-DOTOQJQBSA-N 2 1 308.466 2.685 20 0 DFADMP O[C@H]1CCC[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660436101 431426541 /nfs/dbraw/zinc/42/65/41/431426541.db2.gz PSSXMBBGOQHTCY-YJBOKZPZSA-N 2 1 317.477 2.950 20 0 DFADMP CCOc1cc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)ccc1O ZINC000656557175 431426975 /nfs/dbraw/zinc/42/69/75/431426975.db2.gz YSRCGWMXSPCALE-HNNXBMFYSA-N 2 1 315.417 2.682 20 0 DFADMP CCOc1cc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)ccc1O ZINC000656557175 431426982 /nfs/dbraw/zinc/42/69/82/431426982.db2.gz YSRCGWMXSPCALE-HNNXBMFYSA-N 2 1 315.417 2.682 20 0 DFADMP O[C@@H]1CCC[C@@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445266 431434156 /nfs/dbraw/zinc/43/41/56/431434156.db2.gz APMPMUSWMLVBEY-YSTOQKLRSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@@H]1CCC[C@@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445266 431434162 /nfs/dbraw/zinc/43/41/62/431434162.db2.gz APMPMUSWMLVBEY-YSTOQKLRSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@@H]1CCC[C@@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445266 431434167 /nfs/dbraw/zinc/43/41/67/431434167.db2.gz APMPMUSWMLVBEY-YSTOQKLRSA-N 2 1 314.473 2.601 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)c1cccc(CO)c1 ZINC000663471820 431435592 /nfs/dbraw/zinc/43/55/92/431435592.db2.gz YMWJHGYVRQEWOX-YJBOKZPZSA-N 2 1 302.462 2.952 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)C[NH2+]CC2 ZINC000656783324 431519410 /nfs/dbraw/zinc/51/94/10/431519410.db2.gz PEACTAKIIXGTOV-IBGZPJMESA-N 3 1 313.489 2.544 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656784761 431521742 /nfs/dbraw/zinc/52/17/42/431521742.db2.gz HAUCWYLZGMQZIN-INIZCTEOSA-N 2 1 304.434 2.612 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3Cl)C2)C1 ZINC000656787686 431521883 /nfs/dbraw/zinc/52/18/83/431521883.db2.gz RIANWOFARRJVRO-SOUVJXGZSA-N 2 1 307.869 2.754 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786223 431522060 /nfs/dbraw/zinc/52/20/60/431522060.db2.gz PYBFVDWYIXVXSM-QGZVFWFLSA-N 2 1 301.478 2.964 20 0 DFADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2c1 ZINC000656785155 431523030 /nfs/dbraw/zinc/52/30/30/431523030.db2.gz JQWSKTDOPMOKHK-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)OCCO2 ZINC000656786267 431523077 /nfs/dbraw/zinc/52/30/77/431523077.db2.gz RCPPWCITPISJGU-QGZVFWFLSA-N 2 1 316.445 2.669 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)CCCC1 ZINC000656788251 431523334 /nfs/dbraw/zinc/52/33/34/431523334.db2.gz GMTBCDRNLBVBDN-QGZVFWFLSA-N 2 1 304.434 2.606 20 0 DFADMP C[C@H]1C[C@@H](NCC2([NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000656789095 431525245 /nfs/dbraw/zinc/52/52/45/431525245.db2.gz IVFLGRUFZBUFNN-WMZOPIPTSA-N 2 1 301.478 2.901 20 0 DFADMP C[N@H+]1C[C@@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249221 431527102 /nfs/dbraw/zinc/52/71/02/431527102.db2.gz KMXNSCREUASMHC-WTGUMLROSA-N 2 1 313.489 2.548 20 0 DFADMP C[NH+]1C[C@@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249221 431527107 /nfs/dbraw/zinc/52/71/07/431527107.db2.gz KMXNSCREUASMHC-WTGUMLROSA-N 2 1 313.489 2.548 20 0 DFADMP C[NH+]1C[C@@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249221 431527114 /nfs/dbraw/zinc/52/71/14/431527114.db2.gz KMXNSCREUASMHC-WTGUMLROSA-N 2 1 313.489 2.548 20 0 DFADMP C[N@H+]1C[C@@H](CN[C@H]2CC[NH+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249220 431529829 /nfs/dbraw/zinc/52/98/29/431529829.db2.gz KMXNSCREUASMHC-WCIQWLHISA-N 2 1 313.489 2.548 20 0 DFADMP C[NH+]1C[C@@H](CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249220 431529834 /nfs/dbraw/zinc/52/98/34/431529834.db2.gz KMXNSCREUASMHC-WCIQWLHISA-N 2 1 313.489 2.548 20 0 DFADMP C[NH+]1C[C@@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000647249220 431529838 /nfs/dbraw/zinc/52/98/38/431529838.db2.gz KMXNSCREUASMHC-WCIQWLHISA-N 2 1 313.489 2.548 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CO1 ZINC000647170338 431491425 /nfs/dbraw/zinc/49/14/25/431491425.db2.gz WNLFKPCVZGLKDU-JEWRLFTDSA-N 2 1 318.461 2.563 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cn1 ZINC000647204097 431511401 /nfs/dbraw/zinc/51/14/01/431511401.db2.gz PNHSCXLXYLVHBW-INIZCTEOSA-N 2 1 321.428 2.729 20 0 DFADMP CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1(C)C ZINC000647344145 431558890 /nfs/dbraw/zinc/55/88/90/431558890.db2.gz KBJLKYWZOLXXGE-IKLKHMQRSA-N 2 1 316.489 2.981 20 0 DFADMP C[C@@H](CCn1cccn1)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647343849 431560143 /nfs/dbraw/zinc/56/01/43/431560143.db2.gz DKFCLDZGAQTFKT-UHOSZYNNSA-N 2 1 312.461 2.597 20 0 DFADMP C[N@@H+](CCN1CCC[C@]2(CC[NH+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661372 431537451 /nfs/dbraw/zinc/53/74/51/431537451.db2.gz CTRZZVWZISXDII-LJQANCHMSA-N 2 1 319.468 2.675 20 0 DFADMP C[NH+](CCN1CCC[C@]2(CC[N@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661372 431537458 /nfs/dbraw/zinc/53/74/58/431537458.db2.gz CTRZZVWZISXDII-LJQANCHMSA-N 2 1 319.468 2.675 20 0 DFADMP C[NH+](CCN1CCC[C@]2(CC[N@@H+](C)C2)C1)Cc1ccc(F)cc1 ZINC000660661372 431537463 /nfs/dbraw/zinc/53/74/63/431537463.db2.gz CTRZZVWZISXDII-LJQANCHMSA-N 2 1 319.468 2.675 20 0 DFADMP OCc1ccc(C[NH+]2CCC([NH2+]Cc3ccccc3)CC2)cc1 ZINC000660677714 431545451 /nfs/dbraw/zinc/54/54/51/431545451.db2.gz OLJNITBIVRPKOZ-UHFFFAOYSA-N 2 1 310.441 2.933 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCc2ccccc2)CC1 ZINC000660693213 431552938 /nfs/dbraw/zinc/55/29/38/431552938.db2.gz DFVWGKBCTJZFLK-UHFFFAOYSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000178741378 280013214 /nfs/dbraw/zinc/01/32/14/280013214.db2.gz NTVQOUAGZQGSPI-QXAKKESOSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000178741378 280013216 /nfs/dbraw/zinc/01/32/16/280013216.db2.gz NTVQOUAGZQGSPI-QXAKKESOSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000178741378 280013222 /nfs/dbraw/zinc/01/32/22/280013222.db2.gz NTVQOUAGZQGSPI-QXAKKESOSA-N 2 1 313.489 2.866 20 0 DFADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cn21 ZINC000647364103 431566259 /nfs/dbraw/zinc/56/62/59/431566259.db2.gz RUQXJRKVKXCYRC-RCCFBDPRSA-N 2 1 312.461 2.648 20 0 DFADMP C[C@H]1[C@H](NC2CC[NH+](C3CC3)CC2)CC[N@H+]1Cc1ccccc1 ZINC000294314319 280119307 /nfs/dbraw/zinc/11/93/07/280119307.db2.gz WCQDRHXTOKVQAB-OXJNMPFZSA-N 2 1 313.489 2.866 20 0 DFADMP CC(C)[C@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000358819928 280170444 /nfs/dbraw/zinc/17/04/44/280170444.db2.gz RYKVUMAVYVNTIY-ZWKOTPCHSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)C ZINC000268792149 280190661 /nfs/dbraw/zinc/19/06/61/280190661.db2.gz DJBHSLHAAZJYEP-GOSISDBHSA-N 2 1 317.477 2.598 20 0 DFADMP CC[C@@H](c1ccccc1F)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000366682396 280219112 /nfs/dbraw/zinc/21/91/12/280219112.db2.gz QSCGOUZUKUEIIX-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@@H](c1ccccc1F)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000366682396 280219113 /nfs/dbraw/zinc/21/91/13/280219113.db2.gz QSCGOUZUKUEIIX-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480688 431602647 /nfs/dbraw/zinc/60/26/47/431602647.db2.gz XJVPKELEKRWDMR-RHSMWYFYSA-N 2 1 304.482 2.509 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480688 431602653 /nfs/dbraw/zinc/60/26/53/431602653.db2.gz XJVPKELEKRWDMR-RHSMWYFYSA-N 2 1 304.482 2.509 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@@H]1c1ccccc1 ZINC000660774846 431591724 /nfs/dbraw/zinc/59/17/24/431591724.db2.gz BZTOEMVGMRHHDV-OTWHNJEPSA-N 2 1 304.478 2.956 20 0 DFADMP CSc1cccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000660907251 431651679 /nfs/dbraw/zinc/65/16/79/431651679.db2.gz XFHPQWICVYDZPT-UHFFFAOYSA-N 2 1 306.475 2.705 20 0 DFADMP CSc1cccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c1 ZINC000660907251 431651683 /nfs/dbraw/zinc/65/16/83/431651683.db2.gz XFHPQWICVYDZPT-UHFFFAOYSA-N 2 1 306.475 2.705 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707401 431652941 /nfs/dbraw/zinc/65/29/41/431652941.db2.gz FEJZDPRBCLSXFG-KBRIMQKVSA-N 2 1 310.388 2.683 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000647671586 431653494 /nfs/dbraw/zinc/65/34/94/431653494.db2.gz NDGOVPIYIQXATQ-CYBMUJFWSA-N 2 1 300.406 2.755 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707584 431654443 /nfs/dbraw/zinc/65/44/43/431654443.db2.gz IZGYNUHTKWAQHT-SQWLQELKSA-N 2 1 321.490 2.739 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)ccc1C ZINC000650708342 431655923 /nfs/dbraw/zinc/65/59/23/431655923.db2.gz YDTRSSAEQWCDCZ-YQVWRLOYSA-N 2 1 318.461 2.722 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(C(=O)NC3CC3)cc2)[C@@H]1CC[NH3+] ZINC000650710885 431656186 /nfs/dbraw/zinc/65/61/86/431656186.db2.gz BTQNNKCEQYCMMN-KBXCAEBGSA-N 2 1 315.461 2.528 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000647498309 431605385 /nfs/dbraw/zinc/60/53/85/431605385.db2.gz DXVKSQGEXVRMPY-WMLDXEAASA-N 2 1 302.397 2.571 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000647498309 431605389 /nfs/dbraw/zinc/60/53/89/431605389.db2.gz DXVKSQGEXVRMPY-WMLDXEAASA-N 2 1 302.397 2.571 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647493752 431606658 /nfs/dbraw/zinc/60/66/58/431606658.db2.gz DKZIZPYTXMZSAB-AWEZNQCLSA-N 2 1 324.428 2.875 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C1 ZINC000647493752 431606665 /nfs/dbraw/zinc/60/66/65/431606665.db2.gz DKZIZPYTXMZSAB-AWEZNQCLSA-N 2 1 324.428 2.875 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)CC[C@H]1[NH3+] ZINC000647497756 431607217 /nfs/dbraw/zinc/60/72/17/431607217.db2.gz UDYAOCBVLVTWGF-CRAIPNDOSA-N 2 1 312.461 2.955 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)c1 ZINC000647496841 431607330 /nfs/dbraw/zinc/60/73/30/431607330.db2.gz XUVWSNOGDAJOGY-HIFRSBDPSA-N 2 1 314.433 2.645 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647498535 431609672 /nfs/dbraw/zinc/60/96/72/431609672.db2.gz JTYFYWPEAHTBPX-SUMWQHHRSA-N 2 1 314.433 2.645 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000647521659 431614257 /nfs/dbraw/zinc/61/42/57/431614257.db2.gz UFWCVPCHFCFPJR-GOSISDBHSA-N 2 1 315.461 2.543 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH+]1CCC(C)([NH3+])CC1 ZINC000647531129 431616764 /nfs/dbraw/zinc/61/67/64/431616764.db2.gz CNVQNAVSFMMQBY-UHFFFAOYSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(C[NH2+]Cc2ccc(C[NH3+])cc2F)c(C(C)(C)C)n1 ZINC000650717635 431660945 /nfs/dbraw/zinc/66/09/45/431660945.db2.gz HXHFCJUEXYVVCI-UHFFFAOYSA-N 2 1 304.413 2.605 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000660840562 431621611 /nfs/dbraw/zinc/62/16/11/431621611.db2.gz YWUONDTXTNODTF-ZWKOTPCHSA-N 2 1 304.478 2.956 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@H](c2ccccc2)C1(C)C ZINC000660840562 431621619 /nfs/dbraw/zinc/62/16/19/431621619.db2.gz YWUONDTXTNODTF-ZWKOTPCHSA-N 2 1 304.478 2.956 20 0 DFADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545732 431623965 /nfs/dbraw/zinc/62/39/65/431623965.db2.gz JVLFVCOXNRGAIB-ZIAGYGMSSA-N 2 1 305.491 2.843 20 0 DFADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543124 431624969 /nfs/dbraw/zinc/62/49/69/431624969.db2.gz HVNCLXWGSZIZCL-LSDHHAIUSA-N 2 1 304.434 2.612 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543872 431625567 /nfs/dbraw/zinc/62/55/67/431625567.db2.gz TUVRTTHALCYVSD-LSDHHAIUSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543194 431625701 /nfs/dbraw/zinc/62/57/01/431625701.db2.gz JATUUPYLVSZQMW-IAGOWNOFSA-N 2 1 312.461 2.854 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(OC)c1 ZINC000647543430 431625931 /nfs/dbraw/zinc/62/59/31/431625931.db2.gz NHBPVISWIHUEEV-HOTGVXAUSA-N 2 1 318.461 2.915 20 0 DFADMP c1cn(-c2csc(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)c2)cn1 ZINC000647553959 431630933 /nfs/dbraw/zinc/63/09/33/431630933.db2.gz NVZPFOFGEOXKJL-OAHLLOKOSA-N 2 1 302.447 2.698 20 0 DFADMP COc1ccc(OC)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1 ZINC000650718813 431661493 /nfs/dbraw/zinc/66/14/93/431661493.db2.gz WTFPNKFCYUFNIL-UHFFFAOYSA-N 2 1 304.365 2.591 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000650724015 431666969 /nfs/dbraw/zinc/66/69/69/431666969.db2.gz XGFNJBFWAOSNPI-KSZLIROESA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1nc(NC[C@H]2CC[N@H+](C(C)(C)C)C2)nc(N(C)C)n1 ZINC000664138812 431666975 /nfs/dbraw/zinc/66/69/75/431666975.db2.gz VMCIQSBPPFCDKG-CYBMUJFWSA-N 2 1 320.485 2.593 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)ccc1C ZINC000650724170 431667663 /nfs/dbraw/zinc/66/76/63/431667663.db2.gz ZLFDTOKNPUSSLK-YQVWRLOYSA-N 2 1 318.461 2.864 20 0 DFADMP O[C@@H](C[NH2+]Cc1cccc(C2CCCC2)c1)C[NH+]1CCCC1 ZINC000657326240 431675434 /nfs/dbraw/zinc/67/54/34/431675434.db2.gz OFJNRFDSPGDFTI-IBGZPJMESA-N 2 1 302.462 2.891 20 0 DFADMP O[C@H](C[NH2+]Cc1cccc(C2CCCC2)c1)C[NH+]1CCCC1 ZINC000657326242 431677119 /nfs/dbraw/zinc/67/71/19/431677119.db2.gz OFJNRFDSPGDFTI-LJQANCHMSA-N 2 1 302.462 2.891 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc3n2CCC3)c1 ZINC000657332864 431678471 /nfs/dbraw/zinc/67/84/71/431678471.db2.gz SBQJRYUAIXBHAH-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[NH3+])cc2F)cc1O ZINC000650756023 431682125 /nfs/dbraw/zinc/68/21/25/431682125.db2.gz RUCOHFHUOHCFOW-NSHDSACASA-N 2 1 304.365 2.849 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCC3CC[NH2+]CC3)CC2)cc1 ZINC000650763540 431684025 /nfs/dbraw/zinc/68/40/25/431684025.db2.gz CZMCIFUPARZINX-UHFFFAOYSA-N 3 1 315.505 2.673 20 0 DFADMP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650762678 431685996 /nfs/dbraw/zinc/68/59/96/431685996.db2.gz HSMLKOINMZIDRG-XLIONFOSSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000650762678 431686002 /nfs/dbraw/zinc/68/60/02/431686002.db2.gz HSMLKOINMZIDRG-XLIONFOSSA-N 2 1 315.505 2.876 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790437 431687406 /nfs/dbraw/zinc/68/74/06/431687406.db2.gz YJLHCICFNYIJHI-XMTFNYHQSA-N 3 1 307.526 2.865 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000647790437 431687412 /nfs/dbraw/zinc/68/74/12/431687412.db2.gz YJLHCICFNYIJHI-XMTFNYHQSA-N 3 1 307.526 2.865 20 0 DFADMP CC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000657359713 431700618 /nfs/dbraw/zinc/70/06/18/431700618.db2.gz XOQCGUSYIIUVNB-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C ZINC000657362822 431701763 /nfs/dbraw/zinc/70/17/63/431701763.db2.gz ACGCMRHHUWXGDA-GFCCVEGCSA-N 2 1 320.403 2.895 20 0 DFADMP COc1ccc(OCC[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000647872618 431713804 /nfs/dbraw/zinc/71/38/04/431713804.db2.gz IWNUCKGBJXXLGP-UHFFFAOYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNc1cc(CO)cc(C)[nH+]1 ZINC000647851061 431705803 /nfs/dbraw/zinc/70/58/03/431705803.db2.gz MNSKOUVFHKWWMZ-UHFFFAOYSA-N 2 1 313.445 2.758 20 0 DFADMP C[NH+](C)CCC[N@H+](C)CCNc1cc(Cl)c2ncccc2n1 ZINC000664245654 431713826 /nfs/dbraw/zinc/71/38/26/431713826.db2.gz QKFCARYILGSKQE-UHFFFAOYSA-N 2 1 321.856 2.579 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CCNc1cc(Cl)c2ncccc2n1 ZINC000664245654 431713830 /nfs/dbraw/zinc/71/38/30/431713830.db2.gz QKFCARYILGSKQE-UHFFFAOYSA-N 2 1 321.856 2.579 20 0 DFADMP C[C@@H](CCNCc1cnc2n1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000657382008 431713907 /nfs/dbraw/zinc/71/39/07/431713907.db2.gz FFGSVAVPONMCPM-INIZCTEOSA-N 2 1 312.461 2.830 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000657376548 431712669 /nfs/dbraw/zinc/71/26/69/431712669.db2.gz RYFDRBCWBYOJDR-HLLBOEOZSA-N 2 1 306.450 2.673 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000657305206 431662159 /nfs/dbraw/zinc/66/21/59/431662159.db2.gz LUHBYDHLWHAGOP-UHFFFAOYSA-N 2 1 314.271 2.972 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]CCC[N@H+](C)C(C)C ZINC000657305206 431662163 /nfs/dbraw/zinc/66/21/63/431662163.db2.gz LUHBYDHLWHAGOP-UHFFFAOYSA-N 2 1 314.271 2.972 20 0 DFADMP CC[N@H+]1CCC[C@H](CN(C)c2ccccn2)[C@H]1c1cnn(C)c1 ZINC000664295381 431727795 /nfs/dbraw/zinc/72/77/95/431727795.db2.gz MTUBMTCWWJEONL-QAPCUYQASA-N 2 1 313.449 2.725 20 0 DFADMP C[C@@H]([NH2+]Cc1cnn2c1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657429187 431744077 /nfs/dbraw/zinc/74/40/77/431744077.db2.gz DSOJNRWBWHSJPJ-AEFFLSMTSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657429984 431746492 /nfs/dbraw/zinc/74/64/92/431746492.db2.gz OEWPGCIZEWQDCY-GJZGRUSLSA-N 2 1 302.466 2.572 20 0 DFADMP C[C@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000657429984 431746494 /nfs/dbraw/zinc/74/64/94/431746494.db2.gz OEWPGCIZEWQDCY-GJZGRUSLSA-N 2 1 302.466 2.572 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)n1C ZINC000657433655 431751686 /nfs/dbraw/zinc/75/16/86/431751686.db2.gz YDAPEQSHEBEXJB-MISYRCLQSA-N 2 1 324.472 2.729 20 0 DFADMP Cc1ccc(C[C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647964000 431755378 /nfs/dbraw/zinc/75/53/78/431755378.db2.gz MIARARXXYSDPPC-MOPGFXCFSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647964000 431755384 /nfs/dbraw/zinc/75/53/84/431755384.db2.gz MIARARXXYSDPPC-MOPGFXCFSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C(C)C)cc1 ZINC000647964000 431755391 /nfs/dbraw/zinc/75/53/91/431755391.db2.gz MIARARXXYSDPPC-MOPGFXCFSA-N 2 1 304.478 2.703 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966569 431756394 /nfs/dbraw/zinc/75/63/94/431756394.db2.gz ZJKBHSOPIRPCLN-IRXDYDNUSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966569 431756402 /nfs/dbraw/zinc/75/64/02/431756402.db2.gz ZJKBHSOPIRPCLN-IRXDYDNUSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H]2CCCN(C(=O)C(C)(C)C)C2)C1 ZINC000647966569 431756406 /nfs/dbraw/zinc/75/64/06/431756406.db2.gz ZJKBHSOPIRPCLN-IRXDYDNUSA-N 2 1 323.525 2.545 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964664 431756448 /nfs/dbraw/zinc/75/64/48/431756448.db2.gz SZYMETKXGBPZTG-GOSISDBHSA-N 2 1 308.441 2.739 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964664 431756457 /nfs/dbraw/zinc/75/64/57/431756457.db2.gz SZYMETKXGBPZTG-GOSISDBHSA-N 2 1 308.441 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964664 431756465 /nfs/dbraw/zinc/75/64/65/431756465.db2.gz SZYMETKXGBPZTG-GOSISDBHSA-N 2 1 308.441 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964664 431756472 /nfs/dbraw/zinc/75/64/72/431756472.db2.gz SZYMETKXGBPZTG-GOSISDBHSA-N 2 1 308.441 2.739 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccccc1 ZINC000647971999 431759082 /nfs/dbraw/zinc/75/90/82/431759082.db2.gz FSGPIPIQVLUBFW-IPMKNSEASA-N 2 1 304.478 2.689 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647975228 431760862 /nfs/dbraw/zinc/76/08/62/431760862.db2.gz RGKVCSFZQKKDNR-IAGOWNOFSA-N 2 1 315.461 2.645 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975229 431761649 /nfs/dbraw/zinc/76/16/49/431761649.db2.gz RGKVCSFZQKKDNR-IRXDYDNUSA-N 2 1 315.461 2.645 20 0 DFADMP Fc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977100 431761947 /nfs/dbraw/zinc/76/19/47/431761947.db2.gz XVDVSIRFKHEDRX-CVEARBPZSA-N 2 1 306.425 2.916 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977758 431762119 /nfs/dbraw/zinc/76/21/19/431762119.db2.gz HEFMNTLQGVHNRJ-HOTGVXAUSA-N 2 1 318.465 2.939 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647977758 431762126 /nfs/dbraw/zinc/76/21/26/431762126.db2.gz HEFMNTLQGVHNRJ-HOTGVXAUSA-N 2 1 318.465 2.939 20 0 DFADMP CC(C)(N)c1noc(CN2CCS[C@@H](c3ccccc3)C2)n1 ZINC000647885799 431719427 /nfs/dbraw/zinc/71/94/27/431719427.db2.gz RNORQIXPVJQQAL-CYBMUJFWSA-N 2 1 318.446 2.554 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647904187 431722335 /nfs/dbraw/zinc/72/23/35/431722335.db2.gz YDXMAJYXNCZOCO-AEFFLSMTSA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647904187 431722342 /nfs/dbraw/zinc/72/23/42/431722342.db2.gz YDXMAJYXNCZOCO-AEFFLSMTSA-N 2 1 301.434 2.609 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000657509458 431792434 /nfs/dbraw/zinc/79/24/34/431792434.db2.gz GYJUTOYSFGKWRC-TVFCKZIOSA-N 2 1 318.465 2.510 20 0 DFADMP C[NH+]1CCC([NH2+]C[C@H]2CCN(c3ccccc3Cl)C2)CC1 ZINC000657537521 431799970 /nfs/dbraw/zinc/79/99/70/431799970.db2.gz NRWDNCWLXSBMES-CQSZACIVSA-N 2 1 307.869 2.850 20 0 DFADMP CC(C)OC1CC([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000648068438 431805959 /nfs/dbraw/zinc/80/59/59/431805959.db2.gz YMNWARSMKPIRCH-UGXKVIGPSA-N 2 1 302.462 2.877 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC2(CCC2)O1 ZINC000648074244 431809086 /nfs/dbraw/zinc/80/90/86/431809086.db2.gz GJBATJJYDNEHBE-MRXNPFEDSA-N 2 1 318.461 2.770 20 0 DFADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C[C@H]1CC[NH2+]C1 ZINC000647991537 431766263 /nfs/dbraw/zinc/76/62/63/431766263.db2.gz IOHIGLQPVKRNKW-LBPRGKRZSA-N 2 1 302.340 2.626 20 0 DFADMP CCC[C@H]1CN(C[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000647990902 431766348 /nfs/dbraw/zinc/76/63/48/431766348.db2.gz UDNGWFRFFJGLHN-MOPGFXCFSA-N 2 1 301.478 2.582 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(C[C@H]4CC[NH2+]C4)CC[C@@H]32)cc1 ZINC000647990923 431767033 /nfs/dbraw/zinc/76/70/33/431767033.db2.gz VGJPHXWUORTZFX-ZCNNSNEGSA-N 2 1 313.489 2.582 20 0 DFADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@H](C)CC(=O)Nc1ccccc1 ZINC000647991219 431767771 /nfs/dbraw/zinc/76/77/71/431767771.db2.gz MEHNBGWUHQMALR-CVEARBPZSA-N 2 1 303.450 2.725 20 0 DFADMP FC(F)(F)c1csc([C@@H]2CCC[N@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647989679 431767847 /nfs/dbraw/zinc/76/78/47/431767847.db2.gz WECXKRGNKJOSPP-WDEREUQCSA-N 2 1 319.396 2.951 20 0 DFADMP FC(F)(F)c1csc([C@@H]2CCC[N@@H+](C[C@H]3CC[NH2+]C3)C2)n1 ZINC000647989679 431767851 /nfs/dbraw/zinc/76/78/51/431767851.db2.gz WECXKRGNKJOSPP-WDEREUQCSA-N 2 1 319.396 2.951 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccs3)cc2)C1 ZINC000657596390 431820752 /nfs/dbraw/zinc/82/07/52/431820752.db2.gz VWUYROUTXXMJGM-MRXNPFEDSA-N 2 1 302.443 2.605 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3ccccc3F)cc2)C1 ZINC000657594320 431821909 /nfs/dbraw/zinc/82/19/09/431821909.db2.gz IJVDGXNUEMLIHR-GOSISDBHSA-N 2 1 314.404 2.682 20 0 DFADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261881433 280925298 /nfs/dbraw/zinc/92/52/98/280925298.db2.gz FJTBWICXYHQMGA-QXCFHYIPSA-N 2 1 318.461 2.509 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@@H](C)c3cnccn3)C1)CCCC2 ZINC000275308968 282020093 /nfs/dbraw/zinc/02/00/93/282020093.db2.gz NRSFOHBFNOMFQC-DZGCQCFKSA-N 2 1 311.433 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@@H](C)c3cnccn3)C1)CCCC2 ZINC000275308968 282020094 /nfs/dbraw/zinc/02/00/94/282020094.db2.gz NRSFOHBFNOMFQC-DZGCQCFKSA-N 2 1 311.433 2.868 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301726721 288476912 /nfs/dbraw/zinc/47/69/12/288476912.db2.gz NDQMKSJSWKBZMQ-HUUCEWRRSA-N 2 1 305.470 2.713 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000436434728 297003293 /nfs/dbraw/zinc/00/32/93/297003293.db2.gz RQLZNQUCTJPERL-ZDUSSCGKSA-N 2 1 317.408 2.655 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)[C@H](C)CN1C[C@H]1CCC[NH2+]C1 ZINC000261774091 297027821 /nfs/dbraw/zinc/02/78/21/297027821.db2.gz DYQJCQXKAMGNDV-LMMKCTJWSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000438109641 297080404 /nfs/dbraw/zinc/08/04/04/297080404.db2.gz LJMJFHFLOBBZJR-KRWDZBQOSA-N 2 1 320.481 2.551 20 0 DFADMP COc1ccc(C[N@@H+](CC2CC2)CC2CC[NH2+]CC2)c(OC)c1 ZINC000262045365 295126259 /nfs/dbraw/zinc/12/62/59/295126259.db2.gz YWNSSZKZLPHOEI-UHFFFAOYSA-N 2 1 318.461 2.915 20 0 DFADMP CCC(C)(C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000156978997 295343555 /nfs/dbraw/zinc/34/35/55/295343555.db2.gz SPLWATKZUPWQES-QGZVFWFLSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H]1C[C@H](NC2CC[NH+](C3CCCCC3)CC2)C[N@H+]1C1CC1 ZINC000157547392 295349816 /nfs/dbraw/zinc/34/98/16/295349816.db2.gz YOVJSIVZEPOSLO-WBVHZDCISA-N 2 1 305.510 2.998 20 0 DFADMP CC[C@@H]1C[NH+](CCCC[N@H+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000158091906 295358252 /nfs/dbraw/zinc/35/82/52/295358252.db2.gz SYZIPMKQUBECGI-XLAORIBOSA-N 2 1 312.498 2.765 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCC[NH+]2C[C@H](C)O[C@@H](CC)C2)C[C@H](C)O1 ZINC000158091906 295358256 /nfs/dbraw/zinc/35/82/56/295358256.db2.gz SYZIPMKQUBECGI-XLAORIBOSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097667 295358370 /nfs/dbraw/zinc/35/83/70/295358370.db2.gz XHHSPDKBOANQNM-IAGOWNOFSA-N 3 1 319.493 2.619 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097667 295358371 /nfs/dbraw/zinc/35/83/71/295358371.db2.gz XHHSPDKBOANQNM-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158128826 295358592 /nfs/dbraw/zinc/35/85/92/295358592.db2.gz UNGWTGMXTXNCBG-KBPBESRZSA-N 2 1 315.461 2.909 20 0 DFADMP CCC[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000159090221 295371704 /nfs/dbraw/zinc/37/17/04/295371704.db2.gz ADXMFXVSVAMXLU-SJORKVTESA-N 2 1 305.466 2.749 20 0 DFADMP C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@H]1CCC[NH2+]1 ZINC000400328841 295496980 /nfs/dbraw/zinc/49/69/80/295496980.db2.gz CGYUQFXQEADJEW-MWLCHTKSSA-N 2 1 303.269 2.783 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccsc1Br ZINC000401673810 295500192 /nfs/dbraw/zinc/50/01/92/295500192.db2.gz NCVPUFIAOKWKSN-UHFFFAOYSA-N 2 1 300.225 2.576 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000411549053 295545918 /nfs/dbraw/zinc/54/59/18/295545918.db2.gz FZICWRNCRMYDST-SQNIBIBYSA-N 2 1 323.525 2.878 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000438218154 297085141 /nfs/dbraw/zinc/08/51/41/297085141.db2.gz XWWOCRHVKHWNAE-RTBURBONSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCC[C@@H](C)C1 ZINC000438545109 297097910 /nfs/dbraw/zinc/09/79/10/297097910.db2.gz LKVBYHFSPKBDKN-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@@H+]1CCC[C@@H](C)C1 ZINC000438545109 297097912 /nfs/dbraw/zinc/09/79/12/297097912.db2.gz LKVBYHFSPKBDKN-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)[N@H+]1CCC[C@@H](C)C1 ZINC000438545109 297097914 /nfs/dbraw/zinc/09/79/14/297097914.db2.gz LKVBYHFSPKBDKN-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442793805 297206238 /nfs/dbraw/zinc/20/62/38/297206238.db2.gz SCLBVIYEJIGOON-QLFBSQMISA-N 2 1 303.450 2.806 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])C[C@H]1C ZINC000442793805 297206240 /nfs/dbraw/zinc/20/62/40/297206240.db2.gz SCLBVIYEJIGOON-QLFBSQMISA-N 2 1 303.450 2.806 20 0 DFADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442887946 297209762 /nfs/dbraw/zinc/20/97/62/297209762.db2.gz CFPSREDOGRWDSV-KBXCAEBGSA-N 2 1 319.468 2.675 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnc(-c3ccncc3)s2)C1 ZINC000442918244 297211098 /nfs/dbraw/zinc/21/10/98/297211098.db2.gz GKZBLRRGMXYVBE-CYBMUJFWSA-N 2 1 302.447 2.766 20 0 DFADMP Cn1c2ccc(Cl)cc2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000442922592 297211291 /nfs/dbraw/zinc/21/12/91/297211291.db2.gz PCHNIHYEHZMNQK-LBPRGKRZSA-N 2 1 306.841 2.788 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1C ZINC000443061953 297214356 /nfs/dbraw/zinc/21/43/56/297214356.db2.gz SOWLMBTWVLSRKO-HZPDHXFCSA-N 2 1 303.450 2.691 20 0 DFADMP CO[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@H](C)C1 ZINC000443075768 297215389 /nfs/dbraw/zinc/21/53/89/297215389.db2.gz VXIZFMUXAKSWQF-CXAGYDPISA-N 2 1 300.406 2.575 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H]1CCCC[C@@H]1C ZINC000444670162 297244183 /nfs/dbraw/zinc/24/41/83/297244183.db2.gz FIIUEDKABDVIHX-MAUKXSAKSA-N 2 1 321.509 2.630 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@H]1C ZINC000444670163 297244189 /nfs/dbraw/zinc/24/41/89/297244189.db2.gz FIIUEDKABDVIHX-QAPCUYQASA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+]1CCCC12CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC000445601197 297263419 /nfs/dbraw/zinc/26/34/19/297263419.db2.gz QKJYMXFXDWVEDI-UHFFFAOYSA-N 2 1 315.465 2.532 20 0 DFADMP C[N@H+]1CCCC12CCN(c1cc[nH+]c(N3CCCCC3)n1)CC2 ZINC000445601197 297263421 /nfs/dbraw/zinc/26/34/21/297263421.db2.gz QKJYMXFXDWVEDI-UHFFFAOYSA-N 2 1 315.465 2.532 20 0 DFADMP Cc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C2CCCC2)cc1 ZINC000446889898 297289682 /nfs/dbraw/zinc/28/96/82/297289682.db2.gz DAEXSUNDHPHSRN-RBUKOAKNSA-N 2 1 302.462 2.883 20 0 DFADMP Cc1ccc([C@@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C2CCCC2)cc1 ZINC000446889898 297289683 /nfs/dbraw/zinc/28/96/83/297289683.db2.gz DAEXSUNDHPHSRN-RBUKOAKNSA-N 2 1 302.462 2.883 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000446921664 297290470 /nfs/dbraw/zinc/29/04/70/297290470.db2.gz HWGKAHNKNSOKAK-ZIAGYGMSSA-N 2 1 323.506 2.802 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000447429703 297303687 /nfs/dbraw/zinc/30/36/87/297303687.db2.gz BKJBZTLEXJXMBW-CQSZACIVSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000447429703 297303689 /nfs/dbraw/zinc/30/36/89/297303689.db2.gz BKJBZTLEXJXMBW-CQSZACIVSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447527968 297306640 /nfs/dbraw/zinc/30/66/40/297306640.db2.gz HMFWUPPTEJKLRZ-RBUKOAKNSA-N 2 1 316.420 2.622 20 0 DFADMP C[C@@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447536291 297307267 /nfs/dbraw/zinc/30/72/67/297307267.db2.gz MFRZZNZQDSDZRE-IYWMVGAKSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603795 297310610 /nfs/dbraw/zinc/31/06/10/297310610.db2.gz XSRTWAQJFREQBA-PLOWYNNNSA-N 2 1 302.462 2.931 20 0 DFADMP C[C@H](C[C@H](C)O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603796 297310693 /nfs/dbraw/zinc/31/06/93/297310693.db2.gz XSRTWAQJFREQBA-XWCCPHMRSA-N 2 1 302.462 2.931 20 0 DFADMP C[C@H](C[C@H](C)O)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603793 297310749 /nfs/dbraw/zinc/31/07/49/297310749.db2.gz XSRTWAQJFREQBA-CGHHPOIWSA-N 2 1 302.462 2.931 20 0 DFADMP COC(=O)C1(C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC1 ZINC000448524337 297341134 /nfs/dbraw/zinc/34/11/34/297341134.db2.gz HBLYNDAJHYVRQE-HOTGVXAUSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)C1(C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000448524337 297341135 /nfs/dbraw/zinc/34/11/35/297341135.db2.gz HBLYNDAJHYVRQE-HOTGVXAUSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)C1(C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC1 ZINC000448524337 297341136 /nfs/dbraw/zinc/34/11/36/297341136.db2.gz HBLYNDAJHYVRQE-HOTGVXAUSA-N 2 1 308.466 2.526 20 0 DFADMP COC[C@H](C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccc(Cl)cc1 ZINC000453313949 298082604 /nfs/dbraw/zinc/08/26/04/298082604.db2.gz DZGFTEDHBSZOOF-QRTARXTBSA-N 2 1 310.869 3.000 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H](C)O ZINC000453334791 298084246 /nfs/dbraw/zinc/08/42/46/298084246.db2.gz JVQXCXCFCAMZFR-DBDQLMEASA-N 2 1 302.462 2.931 20 0 DFADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)COC1 ZINC000453336546 298084365 /nfs/dbraw/zinc/08/43/65/298084365.db2.gz AHAQVQRQKIPRGJ-WMZOPIPTSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCN(c2nccs2)CC1)C1CC1 ZINC000453399814 298090556 /nfs/dbraw/zinc/09/05/56/298090556.db2.gz LOKKJCVGZJDHES-UHFFFAOYSA-N 2 1 308.495 2.576 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C[C@H]1C ZINC000453411660 298091522 /nfs/dbraw/zinc/09/15/22/298091522.db2.gz VWRAHJDPVKHOKD-HLLBOEOZSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1cc(NC(=O)N[C@H](C)C(C)(C)C[NH+](C)C)cn2cc[nH+]c12 ZINC000455641202 298394812 /nfs/dbraw/zinc/39/48/12/298394812.db2.gz KDZFGKCBZAPNDN-CYBMUJFWSA-N 2 1 317.437 2.741 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496282755 300040559 /nfs/dbraw/zinc/04/05/59/300040559.db2.gz KJIDCCXPXJIZOW-RBSFLKMASA-N 2 1 311.470 2.506 20 0 DFADMP CCCC[N@@H+](CN1C[C@]2(C[NH+]3CCC2CC3)OC1=O)[C@@H](C)CC ZINC000496385699 300055634 /nfs/dbraw/zinc/05/56/34/300055634.db2.gz UDJXEUKWZVICPX-YJBOKZPZSA-N 2 1 323.481 2.761 20 0 DFADMP C[C@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000496790978 300114638 /nfs/dbraw/zinc/11/46/38/300114638.db2.gz MPCWRBCXKGEPOC-CYBMUJFWSA-N 2 1 311.470 2.506 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CC[N@@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000497157758 300170301 /nfs/dbraw/zinc/17/03/01/300170301.db2.gz DNXRTLZBULUUBK-KFWWJZLASA-N 2 1 313.486 2.610 20 0 DFADMP CCC(CC)C[N@@H+](CC)CN1C[C@@]2(C[NH+]3CCC2CC3)OC1=O ZINC000497219369 300179911 /nfs/dbraw/zinc/17/99/11/300179911.db2.gz GPKDPMSNOCOHPB-GOSISDBHSA-N 2 1 323.481 2.619 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](CC2CCCC2)C1)C1(C(=O)OC)CCC1 ZINC000498940547 300200064 /nfs/dbraw/zinc/20/00/64/300200064.db2.gz QRVBVXRUDLSJLN-IRXDYDNUSA-N 2 1 322.493 2.962 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](CC2CCCC2)C1)C1(C(=O)OC)CCC1 ZINC000498940547 300200066 /nfs/dbraw/zinc/20/00/66/300200066.db2.gz QRVBVXRUDLSJLN-IRXDYDNUSA-N 2 1 322.493 2.962 20 0 DFADMP C[C@H]1CCCC[C@H]1OCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000502940211 300218943 /nfs/dbraw/zinc/21/89/43/300218943.db2.gz PAUCQRMGEDRJGH-IPMKNSEASA-N 2 1 324.509 2.626 20 0 DFADMP C[C@H]1CCCC[C@@H]1OCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000502940212 300218958 /nfs/dbraw/zinc/21/89/58/300218958.db2.gz PAUCQRMGEDRJGH-OTWHNJEPSA-N 2 1 324.509 2.626 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000514612103 300262886 /nfs/dbraw/zinc/26/28/86/300262886.db2.gz JTVWEUKZQYHQEW-HOCLYGCPSA-N 2 1 311.429 2.980 20 0 DFADMP CC(C)[C@H](CO)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000514628265 300263182 /nfs/dbraw/zinc/26/31/82/300263182.db2.gz MBNCBDHLOYICGO-SFHVURJKSA-N 2 1 306.494 2.999 20 0 DFADMP [NH3+][C@H](CCC(=O)N1CC[NH2+]Cc2ccccc21)c1ccccc1 ZINC000514663127 300264892 /nfs/dbraw/zinc/26/48/92/300264892.db2.gz VABVUIPUYJLBTD-QGZVFWFLSA-N 2 1 309.413 2.603 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCCC[NH2+]C2CC2)cc1)C(C)C ZINC000514675419 300265941 /nfs/dbraw/zinc/26/59/41/300265941.db2.gz RPVYXFCHDJPGOX-UHFFFAOYSA-N 2 1 317.477 2.789 20 0 DFADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000514730208 300268474 /nfs/dbraw/zinc/26/84/74/300268474.db2.gz KAQGPIOSMKFHQZ-MAUKXSAKSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](N(C)CCc3ccccc3)C2)CC[NH2+]1 ZINC000514734966 300269237 /nfs/dbraw/zinc/26/92/37/300269237.db2.gz QSKDCXAGILWNON-YZGWKJHDSA-N 2 1 315.505 2.623 20 0 DFADMP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)C1 ZINC000514851158 300275186 /nfs/dbraw/zinc/27/51/86/300275186.db2.gz XQTVTMVHGFRPHI-GOEBONIOSA-N 2 1 321.490 2.739 20 0 DFADMP COCC[NH2+]C1CC[NH+](Cc2cc(C)nc3ccccc23)CC1 ZINC000516575469 300349657 /nfs/dbraw/zinc/34/96/57/300349657.db2.gz RNQOYPYALCKCEA-UHFFFAOYSA-N 2 1 313.445 2.744 20 0 DFADMP CN(C)c1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cc[nH+]1 ZINC000516582503 300349954 /nfs/dbraw/zinc/34/99/54/300349954.db2.gz QIXOGIHRIRBIJB-UHFFFAOYSA-N 2 1 312.417 2.504 20 0 DFADMP COC(=O)c1cc2cc(C[N@@H+]3CC[C@H]([NH3+])C[C@@H]3C)ccc2o1 ZINC000517038199 300379994 /nfs/dbraw/zinc/37/99/94/300379994.db2.gz NSJGOSDTNIAYRV-FZMZJTMJSA-N 2 1 302.374 2.531 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CC[C@H]([NH3+])C[C@@H]3C)ccc2o1 ZINC000517038199 300379997 /nfs/dbraw/zinc/37/99/97/300379997.db2.gz NSJGOSDTNIAYRV-FZMZJTMJSA-N 2 1 302.374 2.531 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000517245290 300390223 /nfs/dbraw/zinc/39/02/23/300390223.db2.gz WDBQJGXWEPIRPN-MRXNPFEDSA-N 2 1 315.461 2.605 20 0 DFADMP CCCc1csc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)n1 ZINC000519811200 300479435 /nfs/dbraw/zinc/47/94/35/300479435.db2.gz PLBFYTRPYGHYEP-GDBMZVCRSA-N 2 1 323.506 2.814 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)Cn2c[nH+]cc2C)CC1 ZINC000529001821 300874738 /nfs/dbraw/zinc/87/47/38/300874738.db2.gz DWBQKNRNPDTVOZ-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530023821 301004954 /nfs/dbraw/zinc/00/49/54/301004954.db2.gz RWJWCITYFDYQTC-HNNXBMFYSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1 ZINC000530023821 301004956 /nfs/dbraw/zinc/00/49/56/301004956.db2.gz RWJWCITYFDYQTC-HNNXBMFYSA-N 2 1 321.490 2.556 20 0 DFADMP O=C(NC[C@H]1CC[N@H+]1C1CCCC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000530024873 301006313 /nfs/dbraw/zinc/00/63/13/301006313.db2.gz YBBUOLKQMGCWRY-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000530024873 301006314 /nfs/dbraw/zinc/00/63/14/301006314.db2.gz YBBUOLKQMGCWRY-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(NC[C@H]1CC[NH+]1C1CCCC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000530024873 301006315 /nfs/dbraw/zinc/00/63/15/301006315.db2.gz YBBUOLKQMGCWRY-MSOLQXFVSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)COc2ccccc2O1 ZINC000530207873 301028740 /nfs/dbraw/zinc/02/87/40/301028740.db2.gz DZHDSUQGLVEYIC-FCEWJHQRSA-N 2 1 310.397 2.951 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c(C)c1OC ZINC000530216514 301029918 /nfs/dbraw/zinc/02/99/18/301029918.db2.gz QALGGDJLOSEMBM-GUYCJALGSA-N 2 1 318.461 2.817 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530217807 301030503 /nfs/dbraw/zinc/03/05/03/301030503.db2.gz BAPPRASBRMFQKQ-QRVBRYPASA-N 2 1 320.452 2.990 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000530217807 301030506 /nfs/dbraw/zinc/03/05/06/301030506.db2.gz BAPPRASBRMFQKQ-QRVBRYPASA-N 2 1 320.452 2.990 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc2cn(C)nc2c1 ZINC000530219375 301031126 /nfs/dbraw/zinc/03/11/26/301031126.db2.gz PIOOZUQXSSYEGT-KSSFIOAISA-N 2 1 308.429 2.621 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]CC1(O)CCC(c2ccccc2)CC1 ZINC000530230177 301032274 /nfs/dbraw/zinc/03/22/74/301032274.db2.gz DYTJTYHTUPHPJJ-UHFFFAOYSA-N 2 1 313.445 2.870 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531701606 301104791 /nfs/dbraw/zinc/10/47/91/301104791.db2.gz AMEZCBIBKPHRQJ-CABCVRRESA-N 2 1 315.461 2.954 20 0 DFADMP COc1cccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1OC ZINC000531955355 301120968 /nfs/dbraw/zinc/12/09/68/301120968.db2.gz OWIWSCRLZBNJNZ-IJEWVQPXSA-N 2 1 306.450 2.565 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000531956376 301120974 /nfs/dbraw/zinc/12/09/74/301120974.db2.gz BSRHEINAQSEXEW-HSBZDZAISA-N 2 1 308.388 2.544 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000531984234 301123069 /nfs/dbraw/zinc/12/30/69/301123069.db2.gz POAXBUUFVAYHEZ-LMMKCTJWSA-N 2 1 307.526 2.961 20 0 DFADMP Cc1nc(C[N@@H+]2CC[C@H](c3nccn3C)C2)nc2ccccc12 ZINC000533865639 301214802 /nfs/dbraw/zinc/21/48/02/301214802.db2.gz UUGSEBDQHCWKGA-AWEZNQCLSA-N 2 1 307.401 2.661 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCCn2c3ccccc3[nH]c2=O)CC[N@@H+]1C ZINC000538619175 301325213 /nfs/dbraw/zinc/32/52/13/301325213.db2.gz KDTPTHRBKLTZBE-LSDHHAIUSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCCn2c3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000538619175 301325214 /nfs/dbraw/zinc/32/52/14/301325214.db2.gz KDTPTHRBKLTZBE-LSDHHAIUSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCCn2c3ccccc3[nH]c2=O)CC[NH+]1C ZINC000538619175 301325216 /nfs/dbraw/zinc/32/52/16/301325216.db2.gz KDTPTHRBKLTZBE-LSDHHAIUSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCCn2c3ccccc3[nH]c2=O)CC[NH+]1C ZINC000538619175 301325217 /nfs/dbraw/zinc/32/52/17/301325217.db2.gz KDTPTHRBKLTZBE-LSDHHAIUSA-N 2 1 316.449 2.547 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000539069714 301337310 /nfs/dbraw/zinc/33/73/10/301337310.db2.gz UDONPZKBVHYSKV-LMWSTFAQSA-N 2 1 319.371 2.653 20 0 DFADMP CCCCn1cc(C[NH2+]C2CC[NH+](CC3CC3)CC2)c(C)n1 ZINC000539296397 301340194 /nfs/dbraw/zinc/34/01/94/301340194.db2.gz HQXUFNJLMXUDBL-UHFFFAOYSA-N 2 1 304.482 2.956 20 0 DFADMP c1nc2ccc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)cc2[nH]1 ZINC000540067901 301357206 /nfs/dbraw/zinc/35/72/06/301357206.db2.gz DCOMUBLMRNNHKM-UHFFFAOYSA-N 2 1 321.428 2.964 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)c2ccccc21 ZINC000562960006 302018085 /nfs/dbraw/zinc/01/80/85/302018085.db2.gz GCLGKUNJDPONIC-LSDHHAIUSA-N 2 1 303.793 2.848 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4cnccn4)CC[C@H]32)cc1 ZINC000563090968 302036649 /nfs/dbraw/zinc/03/66/49/302036649.db2.gz IIICJVUYZSVDDE-UYAOXDASSA-N 2 1 322.456 2.963 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@H]3C)c2C1 ZINC000563203136 302048756 /nfs/dbraw/zinc/04/87/56/302048756.db2.gz OHAGAQGARSMBPH-GOEBONIOSA-N 2 1 315.461 2.985 20 0 DFADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CC[C@H](C)C2)c2ccccn21 ZINC000563258927 302055791 /nfs/dbraw/zinc/05/57/91/302055791.db2.gz XMBHGYWDWZNXSB-HNNXBMFYSA-N 2 1 300.450 2.889 20 0 DFADMP CC(C)c1[nH+]c(CNCC[N@H+]2CC[C@H](C)C2)c2ccccn21 ZINC000563258927 302055793 /nfs/dbraw/zinc/05/57/93/302055793.db2.gz XMBHGYWDWZNXSB-HNNXBMFYSA-N 2 1 300.450 2.889 20 0 DFADMP C[C@H](O)C[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563271556 302056416 /nfs/dbraw/zinc/05/64/16/302056416.db2.gz WUZINRGTJRFOOU-INIZCTEOSA-N 2 1 310.441 2.715 20 0 DFADMP C[C@@H]1C[N@H+](CCSCC[NH+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000563437747 302072590 /nfs/dbraw/zinc/07/25/90/302072590.db2.gz BTFSZRUOEWRLFQ-CALCHBBNSA-N 2 1 322.518 2.961 20 0 DFADMP C[C@@H]1C[NH+](CCSCC[N@H+](C)Cc2ccccc2)C[C@H](C)O1 ZINC000563437747 302072592 /nfs/dbraw/zinc/07/25/92/302072592.db2.gz BTFSZRUOEWRLFQ-CALCHBBNSA-N 2 1 322.518 2.961 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000563492003 302076900 /nfs/dbraw/zinc/07/69/00/302076900.db2.gz CJOWTQBCWDYXPB-QAETUUGQSA-N 2 1 309.498 2.581 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+]C1(c2ccc(F)cc2)CCOCC1 ZINC000563895286 302107407 /nfs/dbraw/zinc/10/74/07/302107407.db2.gz QCRJRLLTDSFJHZ-UHFFFAOYSA-N 2 1 317.408 2.787 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@@H+]1C ZINC000564587061 302143357 /nfs/dbraw/zinc/14/33/57/302143357.db2.gz VZVHDZCYVUVQKK-WQVCFCJDSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@@H]1C[C@H](NC(=O)[C@H](c2ccc(Cl)cc2)[NH+](C)C)CC[N@H+]1C ZINC000564587061 302143360 /nfs/dbraw/zinc/14/33/60/302143360.db2.gz VZVHDZCYVUVQKK-WQVCFCJDSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000564615979 302144343 /nfs/dbraw/zinc/14/43/43/302144343.db2.gz MMIBTWWWOGZXLW-OLZOCXBDSA-N 2 1 309.417 2.754 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1cncc(Br)c1 ZINC000564742286 302156016 /nfs/dbraw/zinc/15/60/16/302156016.db2.gz YBPTUXHOFGGWQH-VXGBXAGGSA-N 2 1 324.266 2.979 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961596 302177052 /nfs/dbraw/zinc/17/70/52/302177052.db2.gz ULVYYVHMOACLOO-BPQIPLTHSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000564961596 302177055 /nfs/dbraw/zinc/17/70/55/302177055.db2.gz ULVYYVHMOACLOO-BPQIPLTHSA-N 2 1 300.446 2.951 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[C@@H]3CC[N@@H+](C)C[C@@H]32)c2ccccn21 ZINC000565083374 302192548 /nfs/dbraw/zinc/19/25/48/302192548.db2.gz NGZHZAWMFHAUGU-YJBOKZPZSA-N 2 1 312.461 2.984 20 0 DFADMP CC[C@H](CN[C@@H]1CCC[C@H]([NH3+])C1)[N@H+]1CCc2ccccc2C1 ZINC000565491840 302227609 /nfs/dbraw/zinc/22/76/09/302227609.db2.gz RVHUEYMUXSVCFU-IPMKNSEASA-N 2 1 301.478 2.683 20 0 DFADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000565653203 302234949 /nfs/dbraw/zinc/23/49/49/302234949.db2.gz GMHAPWBEFYXZFL-ZBFHGGJFSA-N 2 1 308.491 2.520 20 0 DFADMP Cc1ccc(SC[C@@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000565653203 302234947 /nfs/dbraw/zinc/23/49/47/302234947.db2.gz GMHAPWBEFYXZFL-ZBFHGGJFSA-N 2 1 308.491 2.520 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000566106172 302260297 /nfs/dbraw/zinc/26/02/97/302260297.db2.gz IXDNPPJPEIFRFB-VQIMIIECSA-N 2 1 322.468 2.831 20 0 DFADMP O[C@@H]1CCCC[C@H]1C[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306611 302277987 /nfs/dbraw/zinc/27/79/87/302277987.db2.gz UFSXUGWQGYCMEP-VNTMZGSJSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@@H]1CCCC[C@H]1C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306611 302277989 /nfs/dbraw/zinc/27/79/89/302277989.db2.gz UFSXUGWQGYCMEP-VNTMZGSJSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@@H]1CCCC[C@H]1C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000566306611 302277991 /nfs/dbraw/zinc/27/79/91/302277991.db2.gz UFSXUGWQGYCMEP-VNTMZGSJSA-N 2 1 314.473 2.601 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000566412607 302284632 /nfs/dbraw/zinc/28/46/32/302284632.db2.gz XVQABMNMIKLCEM-YPMHNXCESA-N 2 1 302.340 2.939 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000566412605 302284672 /nfs/dbraw/zinc/28/46/72/302284672.db2.gz XVQABMNMIKLCEM-WCQYABFASA-N 2 1 302.340 2.939 20 0 DFADMP COc1cc2c(cc1CN(C)[C@@H]1CC[N@@H+](C)C[C@H]1C)O[C@H](C)C2 ZINC000566705899 302305435 /nfs/dbraw/zinc/30/54/35/302305435.db2.gz QTICKQROEVBZCJ-CKEIUWERSA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)[C@@H]1CCN(C)C[C@H]1C)O[C@H](C)C2 ZINC000566705899 302305437 /nfs/dbraw/zinc/30/54/37/302305437.db2.gz QTICKQROEVBZCJ-CKEIUWERSA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)[C@@H]1CCN(C)C[C@H]1C)O[C@H](C)C2 ZINC000566705899 302305439 /nfs/dbraw/zinc/30/54/39/302305439.db2.gz QTICKQROEVBZCJ-CKEIUWERSA-N 2 1 318.461 2.791 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCCCCO)C2)s1 ZINC000567617864 302374135 /nfs/dbraw/zinc/37/41/35/302374135.db2.gz XMZHGIZURDXWHI-MRXNPFEDSA-N 2 1 310.507 2.973 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCCCCO)C2)s1 ZINC000567617864 302374137 /nfs/dbraw/zinc/37/41/37/302374137.db2.gz XMZHGIZURDXWHI-MRXNPFEDSA-N 2 1 310.507 2.973 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H](c1ncc[nH]1)C1CCCCC1 ZINC000567655160 302376345 /nfs/dbraw/zinc/37/63/45/302376345.db2.gz GHEJPADESXUAIU-KGLIPLIRSA-N 2 1 312.408 2.866 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(N3CCOCC3)c2)c2ccccc21 ZINC000568499296 302454279 /nfs/dbraw/zinc/45/42/79/302454279.db2.gz FLFGVQZOIOGFAS-PMACEKPBSA-N 2 1 323.440 2.758 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](O)Cc1ccc2ccccc2c1 ZINC000570154458 302558480 /nfs/dbraw/zinc/55/84/80/302558480.db2.gz CCADBQCYUJJPNV-IBGZPJMESA-N 2 1 309.413 2.538 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000574139291 302742552 /nfs/dbraw/zinc/74/25/52/302742552.db2.gz AADWWHBJPCLRRO-CABCVRRESA-N 2 1 323.506 2.985 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCCc2oc(C(=O)OCC)c(C)c21 ZINC000574188703 302745555 /nfs/dbraw/zinc/74/55/55/302745555.db2.gz WAUFEVRKPFDCEY-CYBMUJFWSA-N 2 1 308.422 2.731 20 0 DFADMP [NH3+]C[C@H]1c2ccccc2CCN1c1cc[nH+]cc1Br ZINC000163972392 315880779 /nfs/dbraw/zinc/88/07/79/315880779.db2.gz YBNSFRSFQFFTHD-HNNXBMFYSA-N 2 1 318.218 2.907 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nc(COC)no2)CC1 ZINC000181563995 316063896 /nfs/dbraw/zinc/06/38/96/316063896.db2.gz NELFAODSZDEXNN-CQSZACIVSA-N 2 1 324.469 2.721 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nc(COC)no2)CC1 ZINC000181563995 316063899 /nfs/dbraw/zinc/06/38/99/316063899.db2.gz NELFAODSZDEXNN-CQSZACIVSA-N 2 1 324.469 2.721 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000317289642 316248384 /nfs/dbraw/zinc/24/83/84/316248384.db2.gz SAQRRQZEKCTACD-WCQYABFASA-N 2 1 314.376 2.998 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000317289642 316248385 /nfs/dbraw/zinc/24/83/85/316248385.db2.gz SAQRRQZEKCTACD-WCQYABFASA-N 2 1 314.376 2.998 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000337581868 316302134 /nfs/dbraw/zinc/30/21/34/316302134.db2.gz BTJRDKLBZCPCDE-MOPGFXCFSA-N 2 1 310.445 2.648 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000337581868 316302137 /nfs/dbraw/zinc/30/21/37/316302137.db2.gz BTJRDKLBZCPCDE-MOPGFXCFSA-N 2 1 310.445 2.648 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000360019947 316573896 /nfs/dbraw/zinc/57/38/96/316573896.db2.gz SMXGCJAZNOLNKX-KBPBESRZSA-N 2 1 315.417 2.874 20 0 DFADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414799407 316662736 /nfs/dbraw/zinc/66/27/36/316662736.db2.gz DNPQETJBPLJXSA-YMTOWFKASA-N 2 1 315.230 2.846 20 0 DFADMP Cc1oncc1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434690512 316911387 /nfs/dbraw/zinc/91/13/87/316911387.db2.gz HUPLMMQWUAZILX-UHFFFAOYSA-N 2 1 300.406 2.895 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H](O)CC ZINC000449639011 317045925 /nfs/dbraw/zinc/04/59/25/317045925.db2.gz NLJXPSAQUVTIMM-MOPGFXCFSA-N 2 1 322.468 2.972 20 0 DFADMP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+]1CCc2ccccc2C1 ZINC000449673906 317051882 /nfs/dbraw/zinc/05/18/82/317051882.db2.gz QXQIRGJTWBNGGL-CQSZACIVSA-N 2 1 321.424 2.675 20 0 DFADMP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCc2ccccc2C1 ZINC000449673906 317051884 /nfs/dbraw/zinc/05/18/84/317051884.db2.gz QXQIRGJTWBNGGL-CQSZACIVSA-N 2 1 321.424 2.675 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+](CC23CC4CC(CC(C4)C2)C3)CC1 ZINC000450371943 317086671 /nfs/dbraw/zinc/08/66/71/317086671.db2.gz LFLSRFVGQJOHHN-UHFFFAOYSA-N 2 1 306.494 2.591 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCOC2)[C@@H](C)C1 ZINC000453368065 317180826 /nfs/dbraw/zinc/18/08/26/317180826.db2.gz MSUAPAAZHSBBHM-BZSNNMDCSA-N 2 1 312.498 2.530 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1ccc(N2CCCC2)nc1)C1CC1 ZINC000453592366 317191640 /nfs/dbraw/zinc/19/16/40/317191640.db2.gz DXJUVHQMDWREJM-UHFFFAOYSA-N 2 1 302.466 2.646 20 0 DFADMP Cc1cc(C[NH2+]CCCC[N@H+](C)C2CC2)ccc1-n1cncn1 ZINC000453590158 317191871 /nfs/dbraw/zinc/19/18/71/317191871.db2.gz AUKCGASTZNZLPN-UHFFFAOYSA-N 2 1 313.449 2.540 20 0 DFADMP c1ccc(C2(C[NH2+]C3CC[NH+](C4CC4)CC3)CCOCC2)cc1 ZINC000459364848 317321752 /nfs/dbraw/zinc/32/17/52/317321752.db2.gz AQLGWGATKOREKE-UHFFFAOYSA-N 2 1 314.473 2.951 20 0 DFADMP C[N@@H+](CCCNCc1cnc(C2CC2)nc1)Cc1ccccc1 ZINC000459366490 317323071 /nfs/dbraw/zinc/32/30/71/317323071.db2.gz AXMJNHFCZSEVNV-UHFFFAOYSA-N 2 1 310.445 2.966 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000487610693 317350411 /nfs/dbraw/zinc/35/04/11/317350411.db2.gz ZLCGVFYYSPYWJU-RISCZKNCSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000487610693 317350414 /nfs/dbraw/zinc/35/04/14/317350414.db2.gz ZLCGVFYYSPYWJU-RISCZKNCSA-N 2 1 309.841 2.538 20 0 DFADMP CC(C)C1CC([NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000488442576 317393817 /nfs/dbraw/zinc/39/38/17/317393817.db2.gz UCLNHIUMCPLELT-CTWPCTMYSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)C1CC([NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000488442576 317393819 /nfs/dbraw/zinc/39/38/19/317393819.db2.gz UCLNHIUMCPLELT-CTWPCTMYSA-N 2 1 302.462 2.648 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000572777981 318003168 /nfs/dbraw/zinc/00/31/68/318003168.db2.gz WKTIXRVPIFEYPW-IBGZPJMESA-N 2 1 313.445 2.725 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000572777981 318003170 /nfs/dbraw/zinc/00/31/70/318003170.db2.gz WKTIXRVPIFEYPW-IBGZPJMESA-N 2 1 313.445 2.725 20 0 DFADMP C[C@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCC[C@H](C)C1 ZINC000572787441 318003912 /nfs/dbraw/zinc/00/39/12/318003912.db2.gz UHJRHLNEQCHJPS-JKSUJKDBSA-N 2 1 317.477 2.598 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cc2cc(F)ccc2o1)CC[NH+](C)C ZINC000573407191 318018239 /nfs/dbraw/zinc/01/82/39/318018239.db2.gz HXBZFOVEUSFDQV-UHFFFAOYSA-N 2 1 321.440 2.887 20 0 DFADMP Cc1c(C)c(C)c(C[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)c(C)c1C ZINC000574511976 318022779 /nfs/dbraw/zinc/02/27/79/318022779.db2.gz CTYDGOSSVIWTJA-SFHVURJKSA-N 2 1 304.478 2.773 20 0 DFADMP Cc1c(C)c(C)c(C[NH2+]C[C@H](O)C[N@H+](C)C2CC2)c(C)c1C ZINC000574511976 318022781 /nfs/dbraw/zinc/02/27/81/318022781.db2.gz CTYDGOSSVIWTJA-SFHVURJKSA-N 2 1 304.478 2.773 20 0 DFADMP C[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000574531106 318023330 /nfs/dbraw/zinc/02/33/30/318023330.db2.gz LKEYRVXVYFNBKZ-HNNXBMFYSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000574619747 318028579 /nfs/dbraw/zinc/02/85/79/318028579.db2.gz CKIXQSNSYUKGID-WCQYABFASA-N 2 1 317.355 2.643 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000574652211 318031860 /nfs/dbraw/zinc/03/18/60/318031860.db2.gz VILKREQNDYTOLW-WDEREUQCSA-N 2 1 318.339 2.953 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC[NH2+]C3CC3)cc2)C1 ZINC000574770963 318039992 /nfs/dbraw/zinc/03/99/92/318039992.db2.gz NCTGKNFHIPHYPY-OAHLLOKOSA-N 2 1 315.461 2.999 20 0 DFADMP Cc1nn2c(C[NH2+][C@H](C)[C@@H]3CCC[NH2+]C3)c(C(C)C)nc2s1 ZINC000574782090 318040523 /nfs/dbraw/zinc/04/05/23/318040523.db2.gz HCMNQJJYKDFWME-DGCLKSJQSA-N 2 1 321.494 2.700 20 0 DFADMP C[N@@H+](C[C@H](O)CN[C@@H]1CCCc2sc(Cl)cc21)C1CC1 ZINC000574911769 318050245 /nfs/dbraw/zinc/05/02/45/318050245.db2.gz DKWHAWHREAWOQM-DGCLKSJQSA-N 2 1 314.882 2.824 20 0 DFADMP CN(C[C@H](O)C[NH2+][C@@H]1CCCc2sc(Cl)cc21)C1CC1 ZINC000574911769 318050247 /nfs/dbraw/zinc/05/02/47/318050247.db2.gz DKWHAWHREAWOQM-DGCLKSJQSA-N 2 1 314.882 2.824 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)s2)cn1 ZINC000574916682 318050483 /nfs/dbraw/zinc/05/04/83/318050483.db2.gz BBEJWRZPHOBVMR-KRWDZBQOSA-N 2 1 316.474 2.724 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](CCCCc2ccccc2)CC1 ZINC000574924668 318051325 /nfs/dbraw/zinc/05/13/25/318051325.db2.gz BSTICCSDDJURCU-UHFFFAOYSA-N 2 1 304.478 2.834 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(-c2ccc(F)cc2)n1 ZINC000575316723 318072826 /nfs/dbraw/zinc/07/28/26/318072826.db2.gz RCWUGUHURAGLBE-CQSZACIVSA-N 2 1 316.424 2.658 20 0 DFADMP Cn1cc[nH+]c1[C@H]1CCN(c2ncnc3[nH]c4ccccc4c32)C1 ZINC000575498209 318077957 /nfs/dbraw/zinc/07/79/57/318077957.db2.gz UYGORTFSZXCNNZ-LBPRGKRZSA-N 2 1 318.384 2.839 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000575917086 318091323 /nfs/dbraw/zinc/09/13/23/318091323.db2.gz IDTKREPGFPTMDK-HNNXBMFYSA-N 2 1 316.367 2.559 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@H](C)c1cccc(N2CCCC2=O)c1 ZINC000576458427 318127633 /nfs/dbraw/zinc/12/76/33/318127633.db2.gz SYMRKSNJOCDZFW-OAHLLOKOSA-N 2 1 303.450 2.852 20 0 DFADMP COC[C@@H]1CCCC[NH+]1CCCC[N@@H+]1CCCC[C@H]1COC ZINC000576702530 318144057 /nfs/dbraw/zinc/14/40/57/318144057.db2.gz DCKVCHXMADPNAD-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(CC[NH3+])CC1 ZINC000577287067 318183198 /nfs/dbraw/zinc/18/31/98/318183198.db2.gz UMQMGDXWVKYSOO-LBPRGKRZSA-N 2 1 309.841 2.728 20 0 DFADMP CCc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)N(C)C)cc1 ZINC000577363133 318188117 /nfs/dbraw/zinc/18/81/17/318188117.db2.gz YJHOKZXJVGGLBJ-MNEFBYGVSA-N 2 1 303.494 2.829 20 0 DFADMP Cc1cc(NC(=O)NC[C@@H]2[NH2+]CCCC2(C)C)cn2cc[nH+]c12 ZINC000577590695 318203136 /nfs/dbraw/zinc/20/31/36/318203136.db2.gz VDHLPSBPXQOINS-AWEZNQCLSA-N 2 1 315.421 2.542 20 0 DFADMP CC[C@H](CN[C@@H](C)[C@@H]1CCC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000577739725 318213653 /nfs/dbraw/zinc/21/36/53/318213653.db2.gz DJKWDVMFEDIZBK-ILZDJORESA-N 2 1 315.505 2.801 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000578337318 318254331 /nfs/dbraw/zinc/25/43/31/318254331.db2.gz CKDZOQRKGHZYAF-HUUCEWRRSA-N 2 1 310.445 2.721 20 0 DFADMP C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)[C@H]1CCC[NH2+]C1 ZINC000578422890 318259222 /nfs/dbraw/zinc/25/92/22/318259222.db2.gz IXRFIGRSMHFKHQ-RYUDHWBXSA-N 2 1 317.355 2.500 20 0 DFADMP C[C@H]([NH2+]Cc1cccnc1OCC(F)(F)F)[C@@H]1CCC[NH2+]C1 ZINC000578422889 318259319 /nfs/dbraw/zinc/25/93/19/318259319.db2.gz IXRFIGRSMHFKHQ-NWDGAFQWSA-N 2 1 317.355 2.500 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000578451129 318261943 /nfs/dbraw/zinc/26/19/43/318261943.db2.gz WLDDIQDRXCWNNW-MTQWCTHYSA-N 2 1 316.489 2.957 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000578451129 318261945 /nfs/dbraw/zinc/26/19/45/318261945.db2.gz WLDDIQDRXCWNNW-MTQWCTHYSA-N 2 1 316.489 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000578451129 318261948 /nfs/dbraw/zinc/26/19/48/318261948.db2.gz WLDDIQDRXCWNNW-MTQWCTHYSA-N 2 1 316.489 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@H]21 ZINC000578451129 318261950 /nfs/dbraw/zinc/26/19/50/318261950.db2.gz WLDDIQDRXCWNNW-MTQWCTHYSA-N 2 1 316.489 2.957 20 0 DFADMP Cc1ccc(NC(=O)CC[NH2+]CC2([NH+](C)C)CCCCC2)nc1 ZINC000578482485 318263356 /nfs/dbraw/zinc/26/33/56/318263356.db2.gz GPUBNQZSGNHIBI-UHFFFAOYSA-N 2 1 318.465 2.573 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000578498014 318264948 /nfs/dbraw/zinc/26/49/48/318264948.db2.gz YHECCLSMMOWBNA-QWHCGFSZSA-N 2 1 319.840 2.713 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503123 318265055 /nfs/dbraw/zinc/26/50/55/318265055.db2.gz IMVGCZJIXGFYJH-RBUKOAKNSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503123 318265056 /nfs/dbraw/zinc/26/50/56/318265056.db2.gz IMVGCZJIXGFYJH-RBUKOAKNSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503123 318265057 /nfs/dbraw/zinc/26/50/57/318265057.db2.gz IMVGCZJIXGFYJH-RBUKOAKNSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1)C1CC1 ZINC000578503123 318265059 /nfs/dbraw/zinc/26/50/59/318265059.db2.gz IMVGCZJIXGFYJH-RBUKOAKNSA-N 2 1 320.452 2.678 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000578618584 318273115 /nfs/dbraw/zinc/27/31/15/318273115.db2.gz HXGUAVGJIYASFX-LMMKCTJWSA-N 2 1 304.478 2.861 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000578780821 318285350 /nfs/dbraw/zinc/28/53/50/318285350.db2.gz LYCKNYOJOHGAKV-MRXNPFEDSA-N 2 1 315.461 2.953 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000578832262 318287581 /nfs/dbraw/zinc/28/75/81/318287581.db2.gz JSXIIOQWNXFGLT-MTHXSQLBSA-N 2 1 300.446 2.664 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000579682972 318347115 /nfs/dbraw/zinc/34/71/15/318347115.db2.gz HKJMOBWNZJHURV-QGZVFWFLSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(O)CCC1 ZINC000579682972 318347116 /nfs/dbraw/zinc/34/71/16/318347116.db2.gz HKJMOBWNZJHURV-QGZVFWFLSA-N 2 1 302.462 2.792 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000580089537 318374990 /nfs/dbraw/zinc/37/49/90/318374990.db2.gz KPXLVVUCOSDSTF-PKOBYXMFSA-N 2 1 302.462 2.841 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000580089537 318374991 /nfs/dbraw/zinc/37/49/91/318374991.db2.gz KPXLVVUCOSDSTF-PKOBYXMFSA-N 2 1 302.462 2.841 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000580089537 318374994 /nfs/dbraw/zinc/37/49/94/318374994.db2.gz KPXLVVUCOSDSTF-PKOBYXMFSA-N 2 1 302.462 2.841 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21 ZINC000580089537 318374997 /nfs/dbraw/zinc/37/49/97/318374997.db2.gz KPXLVVUCOSDSTF-PKOBYXMFSA-N 2 1 302.462 2.841 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000580211828 318384604 /nfs/dbraw/zinc/38/46/04/318384604.db2.gz LUSUROLNNAFCEF-MOPGFXCFSA-N 2 1 304.478 2.743 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000580211828 318384606 /nfs/dbraw/zinc/38/46/06/318384606.db2.gz LUSUROLNNAFCEF-MOPGFXCFSA-N 2 1 304.478 2.743 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1 ZINC000580211828 318384608 /nfs/dbraw/zinc/38/46/08/318384608.db2.gz LUSUROLNNAFCEF-MOPGFXCFSA-N 2 1 304.478 2.743 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000379616892 323289850 /nfs/dbraw/zinc/28/98/50/323289850.db2.gz DFFIXQBPQJBNDN-QXCFHYIPSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000379616892 323289852 /nfs/dbraw/zinc/28/98/52/323289852.db2.gz DFFIXQBPQJBNDN-QXCFHYIPSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H](CCNC(=O)[C@H]1CCCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379681797 323290888 /nfs/dbraw/zinc/29/08/88/323290888.db2.gz TVHXUZOBLGGXAD-FUHWJXTLSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382709411 323301291 /nfs/dbraw/zinc/30/12/91/323301291.db2.gz SMGPKNBUMHIMIJ-OALUTQOASA-N 2 1 315.505 2.973 20 0 DFADMP CC1(C)C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382728635 323301793 /nfs/dbraw/zinc/30/17/93/323301793.db2.gz XSTSPTATTCHXOX-KRWDZBQOSA-N 2 1 301.478 2.582 20 0 DFADMP CCN(CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)C(=O)OC(C)(C)C ZINC000382826389 323302287 /nfs/dbraw/zinc/30/22/87/323302287.db2.gz DGVDZPRJKPFBQG-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN(C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382737909 323302694 /nfs/dbraw/zinc/30/26/94/323302694.db2.gz KELFNVFCDGWFHK-RTBURBONSA-N 2 1 303.494 2.814 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)C1CC([NH3+])C1 ZINC000384884948 323309389 /nfs/dbraw/zinc/30/93/89/323309389.db2.gz RVNCZJYGNWWJGD-UHFFFAOYSA-N 2 1 316.232 2.744 20 0 DFADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000387462871 323324771 /nfs/dbraw/zinc/32/47/71/323324771.db2.gz QIOYOEDOAPAPSC-RBSFLKMASA-N 2 1 313.486 2.562 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)CC2 ZINC000387574356 323326589 /nfs/dbraw/zinc/32/65/89/323326589.db2.gz OMBWQSTXVNXCNS-MAUKXSAKSA-N 2 1 302.462 2.872 20 0 DFADMP CC(C)C[N@@H+](C[C@H](O)[C@@H](N)Cc1ccccc1)C1CCCC1 ZINC000388013722 323328134 /nfs/dbraw/zinc/32/81/34/323328134.db2.gz HRDSXKBWURDNPS-OALUTQOASA-N 2 1 304.478 2.818 20 0 DFADMP CC(C)C[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCC1 ZINC000388013722 323328137 /nfs/dbraw/zinc/32/81/37/323328137.db2.gz HRDSXKBWURDNPS-OALUTQOASA-N 2 1 304.478 2.818 20 0 DFADMP CC(C)C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CCCC1 ZINC000388013722 323328140 /nfs/dbraw/zinc/32/81/40/323328140.db2.gz HRDSXKBWURDNPS-OALUTQOASA-N 2 1 304.478 2.818 20 0 DFADMP Cn1ccnc1[C@@H]([NH2+]C1CCC([NH3+])CC1)c1ccccc1F ZINC000580420904 323382650 /nfs/dbraw/zinc/38/26/50/323382650.db2.gz FLEQPRAPLQEMCY-ZUEPYMLJSA-N 2 1 302.397 2.508 20 0 DFADMP [NH3+]CCCCC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000583023189 323781171 /nfs/dbraw/zinc/78/11/71/323781171.db2.gz CQYXZXZTPZNTLH-UHFFFAOYSA-N 2 1 310.467 2.587 20 0 DFADMP Cc1cc(NC(=O)CCN(C)c2cc[nH+]cc2)cn2cc[nH+]c12 ZINC000584132017 331840142 /nfs/dbraw/zinc/84/01/42/331840142.db2.gz COPMEGCKKDVYNY-UHFFFAOYSA-N 2 1 309.373 2.503 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)C1CCOCC1 ZINC000665254544 500889833 /nfs/dbraw/zinc/88/98/33/500889833.db2.gz SUTFJXYYWZXWLW-FSPWUOQZSA-N 2 1 306.425 2.676 20 0 DFADMP C[C@H]([NH2+]CCC[NH+](C)C)c1ccc(N2CCCOC2=O)cc1 ZINC000292824432 533845355 /nfs/dbraw/zinc/84/53/55/533845355.db2.gz SXMSDLWCOWXZJW-AWEZNQCLSA-N 2 1 305.422 2.636 20 0 DFADMP CC[NH+](CC)CCCN(C)C[C@@H]1CC[N@@H+](C)[C@H]1c1cccnc1 ZINC000365190247 520594381 /nfs/dbraw/zinc/59/43/81/520594381.db2.gz GKWBXHQQQSBDST-OALUTQOASA-N 2 1 318.509 2.738 20 0 DFADMP CC[NH+](CC)CCCN1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365193797 520604340 /nfs/dbraw/zinc/60/43/40/520604340.db2.gz WHPMFLCPOFKKBI-KRWDZBQOSA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000365193797 520604344 /nfs/dbraw/zinc/60/43/44/520604344.db2.gz WHPMFLCPOFKKBI-KRWDZBQOSA-N 3 1 307.526 2.915 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365193797 520604348 /nfs/dbraw/zinc/60/43/48/520604348.db2.gz WHPMFLCPOFKKBI-KRWDZBQOSA-N 3 1 307.526 2.915 20 0 DFADMP CC(C)(C)C1CCC(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)CC1 ZINC000262488388 534554771 /nfs/dbraw/zinc/55/47/71/534554771.db2.gz KSPIZLDJVAGCIC-DAWZGUTISA-N 2 1 307.526 2.818 20 0 DFADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C1 ZINC000364841804 521645704 /nfs/dbraw/zinc/64/57/04/521645704.db2.gz BTEFNBUXEVBABA-KAYMUHFXSA-N 2 1 324.509 2.671 20 0 DFADMP C[N@H+](C[C@H](O)c1ccccc1Cl)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367724099 523100195 /nfs/dbraw/zinc/10/01/95/523100195.db2.gz VTGYGDGRJLEIBS-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccccc1Cl)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000367724099 523100202 /nfs/dbraw/zinc/10/02/02/523100202.db2.gz VTGYGDGRJLEIBS-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP Cc1nccn1CC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310320783 534774325 /nfs/dbraw/zinc/77/43/25/534774325.db2.gz YPIAYMWLCUCSPL-UXHICEINSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310320783 534774328 /nfs/dbraw/zinc/77/43/28/534774328.db2.gz YPIAYMWLCUCSPL-UXHICEINSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310320783 534774333 /nfs/dbraw/zinc/77/43/33/534774333.db2.gz YPIAYMWLCUCSPL-UXHICEINSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000128357349 525724750 /nfs/dbraw/zinc/72/47/50/525724750.db2.gz OOVBYWGFUWHEQN-GOSISDBHSA-N 2 1 303.494 2.982 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC2(O)CCOCC2)CC1 ZINC000157079969 526246834 /nfs/dbraw/zinc/24/68/34/526246834.db2.gz TWGUZDCEYMDSNT-KRWDZBQOSA-N 2 1 324.509 2.504 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000358126794 536481787 /nfs/dbraw/zinc/48/17/87/536481787.db2.gz BPPJFRAARDGXQZ-ZDUSSCGKSA-N 2 1 322.758 2.515 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(Cl)c(C(F)(F)F)c2)C1 ZINC000358126794 536481790 /nfs/dbraw/zinc/48/17/90/536481790.db2.gz BPPJFRAARDGXQZ-ZDUSSCGKSA-N 2 1 322.758 2.515 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309695807 527965469 /nfs/dbraw/zinc/96/54/69/527965469.db2.gz DJRABZYLXKOMDW-YTQUADARSA-N 2 1 304.478 2.894 20 0 DFADMP CCOc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1O ZINC000298120674 528259563 /nfs/dbraw/zinc/25/95/63/528259563.db2.gz PFDSDAWTHPYAAI-XYPWUTKMSA-N 2 1 304.434 2.848 20 0 DFADMP CCOc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)ccc1O ZINC000298120674 528259571 /nfs/dbraw/zinc/25/95/71/528259571.db2.gz PFDSDAWTHPYAAI-XYPWUTKMSA-N 2 1 304.434 2.848 20 0 DFADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)ccc1O ZINC000298120674 528259573 /nfs/dbraw/zinc/25/95/73/528259573.db2.gz PFDSDAWTHPYAAI-XYPWUTKMSA-N 2 1 304.434 2.848 20 0 DFADMP CCOc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)ccc1O ZINC000298120674 528259579 /nfs/dbraw/zinc/25/95/79/528259579.db2.gz PFDSDAWTHPYAAI-XYPWUTKMSA-N 2 1 304.434 2.848 20 0 DFADMP CCOCc1cc(C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292722017 529032066 /nfs/dbraw/zinc/03/20/66/529032066.db2.gz FIXMVSDAVPDWBW-LJQANCHMSA-N 2 1 318.461 2.759 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292722017 529032073 /nfs/dbraw/zinc/03/20/73/529032073.db2.gz FIXMVSDAVPDWBW-LJQANCHMSA-N 2 1 318.461 2.759 20 0 DFADMP CCOCc1cc(C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000292722017 529032077 /nfs/dbraw/zinc/03/20/77/529032077.db2.gz FIXMVSDAVPDWBW-LJQANCHMSA-N 2 1 318.461 2.759 20 0 DFADMP CCOCc1cc(C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000292722017 529032082 /nfs/dbraw/zinc/03/20/82/529032082.db2.gz FIXMVSDAVPDWBW-LJQANCHMSA-N 2 1 318.461 2.759 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC000362646444 535137855 /nfs/dbraw/zinc/13/78/55/535137855.db2.gz KPBHFNOFZDZPFP-MSOLQXFVSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000261959168 535154250 /nfs/dbraw/zinc/15/42/50/535154250.db2.gz PIFHBTDVLNUSEE-KZNAEPCWSA-N 2 1 320.452 2.850 20 0 DFADMP CC(C)[C@@H]1CN(C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000362762726 535258022 /nfs/dbraw/zinc/25/80/22/535258022.db2.gz LUWZFRFWPYMKSH-KRWDZBQOSA-N 2 1 318.465 2.552 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@@H]2CCOC2)[C@H](C)C1 ZINC000361491932 535525908 /nfs/dbraw/zinc/52/59/08/535525908.db2.gz BPOCPCLNRJUHNP-TVFCKZIOSA-N 2 1 312.498 2.528 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2csc(C)n2)CC1 ZINC000361093808 535695181 /nfs/dbraw/zinc/69/51/81/535695181.db2.gz COWBHRGPONUMPI-AWEZNQCLSA-N 2 1 310.511 2.520 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3cccc(F)c3)C2)CC1 ZINC000171527805 535738290 /nfs/dbraw/zinc/73/82/90/535738290.db2.gz CAZRZSJYNOVRAX-MAUKXSAKSA-N 2 1 305.441 2.599 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261972452 535864453 /nfs/dbraw/zinc/86/44/53/535864453.db2.gz ZDFRJZOYGQOOAC-ULQDDVLXSA-N 2 1 315.461 2.555 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261972452 535864457 /nfs/dbraw/zinc/86/44/57/535864457.db2.gz ZDFRJZOYGQOOAC-ULQDDVLXSA-N 2 1 315.461 2.555 20 0 DFADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000261895495 536350235 /nfs/dbraw/zinc/35/02/35/536350235.db2.gz XXMNZGLWTIIPSD-ZFWWWQNUSA-N 2 1 300.406 2.557 20 0 DFADMP C[NH2+][C@@H](C)Cc1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000261895495 536350239 /nfs/dbraw/zinc/35/02/39/536350239.db2.gz XXMNZGLWTIIPSD-ZFWWWQNUSA-N 2 1 300.406 2.557 20 0 DFADMP C[N@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533427 536452890 /nfs/dbraw/zinc/45/28/90/536452890.db2.gz BRAASBWTQHSMHM-RTBURBONSA-N 2 1 300.446 2.664 20 0 DFADMP C[N@@H+](C[C@]1(O)CC[NH+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533427 536452893 /nfs/dbraw/zinc/45/28/93/536452893.db2.gz BRAASBWTQHSMHM-RTBURBONSA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533427 536452895 /nfs/dbraw/zinc/45/28/95/536452895.db2.gz BRAASBWTQHSMHM-RTBURBONSA-N 2 1 300.446 2.664 20 0 DFADMP C[NH+](C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C=CCCC1 ZINC000249533427 536452897 /nfs/dbraw/zinc/45/28/97/536452897.db2.gz BRAASBWTQHSMHM-RTBURBONSA-N 2 1 300.446 2.664 20 0 DFADMP CO[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000163897089 536645627 /nfs/dbraw/zinc/64/56/27/536645627.db2.gz WTMILKKOCPRAER-RTBURBONSA-N 2 1 320.452 2.990 20 0 DFADMP COc1ccc(C(=O)C2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261695463 536663610 /nfs/dbraw/zinc/66/36/10/536663610.db2.gz BVDFFZZICFIKSF-LJQANCHMSA-N 2 1 316.445 2.590 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261962971 536753032 /nfs/dbraw/zinc/75/30/32/536753032.db2.gz PBHHXFOXTXYXCJ-DGCLKSJQSA-N 2 1 314.376 2.856 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261962985 536757870 /nfs/dbraw/zinc/75/78/70/536757870.db2.gz PBHHXFOXTXYXCJ-YPMHNXCESA-N 2 1 314.376 2.856 20 0 DFADMP COc1ccc2c(c1)CC[C@H]([NH2+]Cc1c[nH+]ccc1N(C)C)C2 ZINC000680543339 545507866 /nfs/dbraw/zinc/50/78/66/545507866.db2.gz PGOIIBOTKOXLKW-KRWDZBQOSA-N 2 1 311.429 2.803 20 0 DFADMP CC1(C)[C@@H]([NH2+]C2CC[NH+](CCO)CC2)C[C@H]1c1ccccc1 ZINC000680970013 545572319 /nfs/dbraw/zinc/57/23/19/545572319.db2.gz QOJMFEORXUUCBA-ROUUACIJSA-N 2 1 302.462 2.615 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000681304965 545626472 /nfs/dbraw/zinc/62/64/72/545626472.db2.gz VNXGKEIKHWLKQF-ARFHVFGLSA-N 2 1 309.498 2.628 20 0 DFADMP CCCc1cccc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000681483044 545650866 /nfs/dbraw/zinc/65/08/66/545650866.db2.gz JBNRGEHBTZETPE-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCCc1cccc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000681483044 545650871 /nfs/dbraw/zinc/65/08/71/545650871.db2.gz JBNRGEHBTZETPE-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CC[C@]1(O)CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000681755558 545715937 /nfs/dbraw/zinc/71/59/37/545715937.db2.gz VNYDBNHGZUBCHX-IBGZPJMESA-N 2 1 318.461 2.508 20 0 DFADMP COc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681927822 545755054 /nfs/dbraw/zinc/75/50/54/545755054.db2.gz WPCGOFMJXFFFMQ-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681927822 545755055 /nfs/dbraw/zinc/75/50/55/545755055.db2.gz WPCGOFMJXFFFMQ-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@@H]2C)[C@H](C)C1 ZINC000682159060 545808340 /nfs/dbraw/zinc/80/83/40/545808340.db2.gz KZJRFKOKQUJUQV-LVQVYYBASA-N 2 1 300.512 2.607 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cccc3cnccc32)CCCO1 ZINC000683343913 546015356 /nfs/dbraw/zinc/01/53/56/546015356.db2.gz BUEYEKRXXJZTKR-INIZCTEOSA-N 2 1 313.445 2.825 20 0 DFADMP CN1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690288 546075978 /nfs/dbraw/zinc/07/59/78/546075978.db2.gz GHSWXHAGRUUNRO-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP C[N@@H+]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683690288 546075983 /nfs/dbraw/zinc/07/59/83/546075983.db2.gz GHSWXHAGRUUNRO-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP C[N@H+]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683690288 546075987 /nfs/dbraw/zinc/07/59/87/546075987.db2.gz GHSWXHAGRUUNRO-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683690288 546075993 /nfs/dbraw/zinc/07/59/93/546075993.db2.gz GHSWXHAGRUUNRO-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690288 546075997 /nfs/dbraw/zinc/07/59/97/546075997.db2.gz GHSWXHAGRUUNRO-LWYYNNOASA-N 2 1 313.489 2.866 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000683694296 546076970 /nfs/dbraw/zinc/07/69/70/546076970.db2.gz SCDOPCMVQPNFRG-ZWKOTPCHSA-N 2 1 306.425 2.600 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1C ZINC000683703119 546078786 /nfs/dbraw/zinc/07/87/86/546078786.db2.gz JWUUPUUILMXMRC-GOSISDBHSA-N 2 1 318.461 2.737 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000683719756 546081547 /nfs/dbraw/zinc/08/15/47/546081547.db2.gz ACEAWSFCAWGHNU-MOPGFXCFSA-N 2 1 324.472 2.700 20 0 DFADMP CC(C)C[C@H](C[NH2+]C1CC[NH+](CCO)CC1)c1ccccc1 ZINC000684375724 546204441 /nfs/dbraw/zinc/20/44/41/546204441.db2.gz AKBREDGCIHVWKG-GOSISDBHSA-N 2 1 304.478 2.863 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C2CC2)O1 ZINC000684411139 546212109 /nfs/dbraw/zinc/21/21/09/546212109.db2.gz AQEBCJPTIABBDS-HNAYVOBHSA-N 2 1 318.461 2.626 20 0 DFADMP c1cnc2c(c1)CCC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000684956542 546308715 /nfs/dbraw/zinc/30/87/15/546308715.db2.gz GFEUXNTWQNWWLI-QAPCUYQASA-N 2 1 315.461 2.550 20 0 DFADMP C[C@@H](Cc1ccsc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457666 546353293 /nfs/dbraw/zinc/35/32/93/546353293.db2.gz ITIZIPHRHDRGDR-MAUKXSAKSA-N 2 1 321.534 2.779 20 0 DFADMP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577748 546369967 /nfs/dbraw/zinc/36/99/67/546369967.db2.gz FVWMOZBPYTYBTJ-JKSUJKDBSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577748 546369972 /nfs/dbraw/zinc/36/99/72/546369972.db2.gz FVWMOZBPYTYBTJ-JKSUJKDBSA-N 2 1 303.450 2.869 20 0 DFADMP C[NH+](C)CC1CC[NH+](c2ccc(NCC3(C)COC3)cc2)CC1 ZINC000286536679 219042361 /nfs/dbraw/zinc/04/23/61/219042361.db2.gz NZYLGOISHJCIND-UHFFFAOYSA-N 2 1 317.477 2.913 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000275155290 212155804 /nfs/dbraw/zinc/15/58/04/212155804.db2.gz YJOUACZWPXBUOR-NQYYFHDYSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000275155290 212155807 /nfs/dbraw/zinc/15/58/07/212155807.db2.gz YJOUACZWPXBUOR-NQYYFHDYSA-N 2 1 302.462 2.933 20 0 DFADMP C[NH+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000365782534 282118285 /nfs/dbraw/zinc/11/82/85/282118285.db2.gz DJGCLECLOXWVNY-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000278516223 214206508 /nfs/dbraw/zinc/20/65/08/214206508.db2.gz MMQKYOKBRRPBAV-HOTGVXAUSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000278516223 214206511 /nfs/dbraw/zinc/20/65/11/214206511.db2.gz MMQKYOKBRRPBAV-HOTGVXAUSA-N 2 1 308.441 2.847 20 0 DFADMP CCOc1ccc(C[NH2+]C2CC[NH+](CCCOC)CC2)cc1F ZINC000278576952 214250769 /nfs/dbraw/zinc/25/07/69/214250769.db2.gz XZJWTKHYCGSQBJ-UHFFFAOYSA-N 2 1 324.440 2.815 20 0 DFADMP OC[C@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000309681897 231102905 /nfs/dbraw/zinc/10/29/05/231102905.db2.gz AAXMMOREPDKQAJ-HKUYNNGSSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000319342521 231183912 /nfs/dbraw/zinc/18/39/12/231183912.db2.gz CULIGZZYDJGQAK-DGCLKSJQSA-N 2 1 314.376 2.726 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000591904797 398348008 /nfs/dbraw/zinc/34/80/08/398348008.db2.gz AUWODOSNRSXXRO-BFYDXBDKSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000591904797 398348012 /nfs/dbraw/zinc/34/80/12/398348012.db2.gz AUWODOSNRSXXRO-BFYDXBDKSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@H]2C)C1 ZINC000591904797 398348016 /nfs/dbraw/zinc/34/80/16/398348016.db2.gz AUWODOSNRSXXRO-BFYDXBDKSA-N 2 1 318.465 2.618 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905647 398348275 /nfs/dbraw/zinc/34/82/75/398348275.db2.gz FENKTGSUIOHQHH-XJKSGUPXSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905647 398348277 /nfs/dbraw/zinc/34/82/77/398348277.db2.gz FENKTGSUIOHQHH-XJKSGUPXSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905647 398348280 /nfs/dbraw/zinc/34/82/80/398348280.db2.gz FENKTGSUIOHQHH-XJKSGUPXSA-N 2 1 306.454 2.522 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906432 398349922 /nfs/dbraw/zinc/34/99/22/398349922.db2.gz OFYKQWSGQXNCAV-RDJZCZTQSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906432 398349925 /nfs/dbraw/zinc/34/99/25/398349925.db2.gz OFYKQWSGQXNCAV-RDJZCZTQSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906432 398349932 /nfs/dbraw/zinc/34/99/32/398349932.db2.gz OFYKQWSGQXNCAV-RDJZCZTQSA-N 2 1 318.465 2.620 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000236652412 398362618 /nfs/dbraw/zinc/36/26/18/398362618.db2.gz GYZOALGXEDMZMG-WMZOPIPTSA-N 2 1 323.525 2.863 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237075634 398366742 /nfs/dbraw/zinc/36/67/42/398366742.db2.gz WZSOJBSTCOCHFK-QZTJIDSGSA-N 2 1 317.477 2.799 20 0 DFADMP CCOc1cc(CNC[C@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000236954907 398365704 /nfs/dbraw/zinc/36/57/04/398365704.db2.gz UPLAESHHSOYHQJ-CYBMUJFWSA-N 2 1 314.376 2.871 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1ccnn1C ZINC000369705962 282203556 /nfs/dbraw/zinc/20/35/56/282203556.db2.gz GLKSJIHJOIWCCB-QGZVFWFLSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1ccnn1C ZINC000369705962 282203557 /nfs/dbraw/zinc/20/35/57/282203557.db2.gz GLKSJIHJOIWCCB-QGZVFWFLSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1c2ccccc2CC[C@H]1CO ZINC000377010486 282204025 /nfs/dbraw/zinc/20/40/25/282204025.db2.gz AQHJHRQMFBNJDB-PKOBYXMFSA-N 2 1 313.445 2.857 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1SC ZINC000459359527 299087702 /nfs/dbraw/zinc/08/77/02/299087702.db2.gz CEKLXXRRXASWOE-CAOSSQGBSA-N 2 1 300.512 2.605 20 0 DFADMP CCn1nncc1CN1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000459360272 299087899 /nfs/dbraw/zinc/08/78/99/299087899.db2.gz GZNHIXKUJRRHRV-INIZCTEOSA-N 2 1 319.497 2.775 20 0 DFADMP CCn1nncc1C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000459360272 299087902 /nfs/dbraw/zinc/08/79/02/299087902.db2.gz GZNHIXKUJRRHRV-INIZCTEOSA-N 2 1 319.497 2.775 20 0 DFADMP CCn1nncc1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000459360272 299087905 /nfs/dbraw/zinc/08/79/05/299087905.db2.gz GZNHIXKUJRRHRV-INIZCTEOSA-N 2 1 319.497 2.775 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1CCc1cncn1C ZINC000459374559 299090769 /nfs/dbraw/zinc/09/07/69/299090769.db2.gz OPLWNRUUZJMBPL-SJORKVTESA-N 2 1 312.461 2.557 20 0 DFADMP C[C@@H]1C[N@@H+](CCc2cncn2C)[C@@H](C)CN1Cc1ccccc1 ZINC000459374552 299090335 /nfs/dbraw/zinc/09/03/35/299090335.db2.gz OPLWNRUUZJMBPL-DLBZAZTESA-N 2 1 312.461 2.557 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1OC ZINC000083455301 398386838 /nfs/dbraw/zinc/38/68/38/398386838.db2.gz QYIXCQCOKFTWOF-ZDUSSCGKSA-N 2 1 317.433 2.943 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)c1ccccc1Cl ZINC000246751082 282244313 /nfs/dbraw/zinc/24/43/13/282244313.db2.gz ZWHJXEXPSUVMMV-XJKCOSOUSA-N 2 1 323.868 2.576 20 0 DFADMP Cc1ncccc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587499 185327438 /nfs/dbraw/zinc/32/74/38/185327438.db2.gz IMFVKMCAJCJATN-IYBDPMFKSA-N 2 1 317.477 2.711 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1C ZINC000272820621 210222047 /nfs/dbraw/zinc/22/20/47/210222047.db2.gz CZLDEJAVCIUJTF-AEFFLSMTSA-N 2 1 320.477 2.891 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C)s1 ZINC000092719509 185336129 /nfs/dbraw/zinc/33/61/29/185336129.db2.gz UWRWKDLXVRWXOW-GFCCVEGCSA-N 2 1 313.511 2.879 20 0 DFADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000365307634 282255163 /nfs/dbraw/zinc/25/51/63/282255163.db2.gz JGUVIISWFRUPQV-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CCc1ccc2[nH+]ccc(NC[C@@H](C)[NH+]3CCN(C)CC3)c2c1 ZINC000295629325 529731964 /nfs/dbraw/zinc/73/19/64/529731964.db2.gz XHPNWZIUIQIQGK-OAHLLOKOSA-N 2 1 312.461 2.845 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1CC1 ZINC000272782537 210186890 /nfs/dbraw/zinc/18/68/90/210186890.db2.gz WDRJGSSZQQBYOM-RBUKOAKNSA-N 2 1 302.462 2.922 20 0 DFADMP CC[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)C1CC1 ZINC000272782525 210186777 /nfs/dbraw/zinc/18/67/77/210186777.db2.gz WDRJGSSZQQBYOM-MOPGFXCFSA-N 2 1 302.462 2.922 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000592433657 398425360 /nfs/dbraw/zinc/42/53/60/398425360.db2.gz OBQCAKCFLCEMDL-MSOLQXFVSA-N 2 1 316.445 2.685 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc3oc(C(=O)OC)cc3c2)CC[C@@H]1[NH3+] ZINC000592489438 398432883 /nfs/dbraw/zinc/43/28/83/398432883.db2.gz VUGWWOJKGQKCIW-HIFRSBDPSA-N 2 1 316.401 2.779 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H]([NH3+])C3)cc2)C1 ZINC000262673000 398433619 /nfs/dbraw/zinc/43/36/19/398433619.db2.gz PUVAGCDAACFJNK-PVAVHDDUSA-N 2 1 315.461 2.984 20 0 DFADMP Clc1cccnc1N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459434147 299105291 /nfs/dbraw/zinc/10/52/91/299105291.db2.gz MTOCEZJBIBPKOK-CQSZACIVSA-N 2 1 320.868 2.530 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459456303 299111512 /nfs/dbraw/zinc/11/15/12/299111512.db2.gz DVZSNEKPFNCKCJ-GOSISDBHSA-N 2 1 300.446 2.676 20 0 DFADMP C[C@H](NC1CC[NH+](C2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459466175 299114165 /nfs/dbraw/zinc/11/41/65/299114165.db2.gz OSCLWSOCZSIQLX-JKSUJKDBSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000459466175 299114168 /nfs/dbraw/zinc/11/41/68/299114168.db2.gz OSCLWSOCZSIQLX-JKSUJKDBSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+]C1CCN(C2CC2)CC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459466175 299114171 /nfs/dbraw/zinc/11/41/71/299114171.db2.gz OSCLWSOCZSIQLX-JKSUJKDBSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000090455454 398487318 /nfs/dbraw/zinc/48/73/18/398487318.db2.gz PDKKRGGKBHZUMR-LZQZEXGQSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000090455454 398487319 /nfs/dbraw/zinc/48/73/19/398487319.db2.gz PDKKRGGKBHZUMR-LZQZEXGQSA-N 2 1 324.472 2.910 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000090718704 398491892 /nfs/dbraw/zinc/49/18/92/398491892.db2.gz HVPFQBWEKOSUAF-QAPCUYQASA-N 2 1 306.450 2.532 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907809 398496254 /nfs/dbraw/zinc/49/62/54/398496254.db2.gz YAPGZLFIAGRORG-UXHICEINSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000302907809 398496259 /nfs/dbraw/zinc/49/62/59/398496259.db2.gz YAPGZLFIAGRORG-UXHICEINSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000302907809 398496265 /nfs/dbraw/zinc/49/62/65/398496265.db2.gz YAPGZLFIAGRORG-UXHICEINSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000302907809 398496267 /nfs/dbraw/zinc/49/62/67/398496267.db2.gz YAPGZLFIAGRORG-UXHICEINSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CC[C@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000302907809 398496272 /nfs/dbraw/zinc/49/62/72/398496272.db2.gz YAPGZLFIAGRORG-UXHICEINSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912149 398496858 /nfs/dbraw/zinc/49/68/58/398496858.db2.gz ZYBCHSWXURAINS-JKIFEVAISA-N 2 1 303.450 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912149 398496860 /nfs/dbraw/zinc/49/68/60/398496860.db2.gz ZYBCHSWXURAINS-JKIFEVAISA-N 2 1 303.450 2.831 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000090888340 398495582 /nfs/dbraw/zinc/49/55/82/398495582.db2.gz MRFIWIQJUJYEBP-YOEHRIQHSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000272703390 210109512 /nfs/dbraw/zinc/10/95/12/210109512.db2.gz ZLZCPKRPRKBBNH-RDJZCZTQSA-N 2 1 313.449 2.792 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@H]1C ZINC000588686700 398503445 /nfs/dbraw/zinc/50/34/45/398503445.db2.gz FELXIDNQVSUSNF-NEPXVJNWSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@H]1C ZINC000588686700 398503449 /nfs/dbraw/zinc/50/34/49/398503449.db2.gz FELXIDNQVSUSNF-NEPXVJNWSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@@H]1C ZINC000588686698 398504039 /nfs/dbraw/zinc/50/40/39/398504039.db2.gz FELXIDNQVSUSNF-FPAYPSAMSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H]1C ZINC000588686698 398504041 /nfs/dbraw/zinc/50/40/41/398504041.db2.gz FELXIDNQVSUSNF-FPAYPSAMSA-N 2 1 304.478 2.894 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181943712 199366918 /nfs/dbraw/zinc/36/69/18/199366918.db2.gz ZIZVHILGCGHWTI-MRXNPFEDSA-N 2 1 310.413 2.597 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCOc2cc(F)ccc21 ZINC000181943712 199366920 /nfs/dbraw/zinc/36/69/20/199366920.db2.gz ZIZVHILGCGHWTI-MRXNPFEDSA-N 2 1 310.413 2.597 20 0 DFADMP Oc1cccc(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1Br ZINC000459564022 299135133 /nfs/dbraw/zinc/13/51/33/299135133.db2.gz PONHCQKXXHZQFU-SNVBAGLBSA-N 2 1 322.206 2.525 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@H](O)C[NH+](C)C)c1ccc(C(F)(F)F)cc1 ZINC000091334570 398526404 /nfs/dbraw/zinc/52/64/04/398526404.db2.gz GXLJVIMJDPVODD-HUUCEWRRSA-N 2 1 318.383 2.915 20 0 DFADMP COCCOc1ccccc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000083455294 192371447 /nfs/dbraw/zinc/37/14/47/192371447.db2.gz KHMQLUMLEPAPRN-HNNXBMFYSA-N 2 1 317.433 2.643 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1Cl ZINC000597047378 398554262 /nfs/dbraw/zinc/55/42/62/398554262.db2.gz OBHBAUSAYSTBKU-KGLIPLIRSA-N 2 1 322.836 2.843 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1Cl ZINC000597047378 398554268 /nfs/dbraw/zinc/55/42/68/398554268.db2.gz OBHBAUSAYSTBKU-KGLIPLIRSA-N 2 1 322.836 2.843 20 0 DFADMP Cc1ccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000322697759 398558722 /nfs/dbraw/zinc/55/87/22/398558722.db2.gz NSPDPYLBTHCFNJ-HRCADAONSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)n2)cc1 ZINC000322697759 398558728 /nfs/dbraw/zinc/55/87/28/398558728.db2.gz NSPDPYLBTHCFNJ-HRCADAONSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)CC[NH+](C)C ZINC000414296244 295785353 /nfs/dbraw/zinc/78/53/53/295785353.db2.gz GRYJHMUAWSRKLU-CYBMUJFWSA-N 2 1 304.413 2.750 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000414350645 295790847 /nfs/dbraw/zinc/79/08/47/295790847.db2.gz QTFHJRWXAMDYIP-INIZCTEOSA-N 2 1 303.425 2.621 20 0 DFADMP Cc1occc1C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000414367625 295793647 /nfs/dbraw/zinc/79/36/47/295793647.db2.gz RWTJFLPWOYRKRA-UHFFFAOYSA-N 2 1 300.406 2.753 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[N@H+](C(C)C)CC2)o1 ZINC000590037025 398591245 /nfs/dbraw/zinc/59/12/45/398591245.db2.gz CPMIWTBNYVPLCZ-UHFFFAOYSA-N 2 1 321.465 2.678 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)[C@H]1SC ZINC000597257794 398609116 /nfs/dbraw/zinc/60/91/16/398609116.db2.gz WIEGFJVCRHDQRD-YYIAUSFCSA-N 2 1 312.523 2.607 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000280009522 215309572 /nfs/dbraw/zinc/30/95/72/215309572.db2.gz SKJSQTMFGIJJTG-KGLIPLIRSA-N 2 1 306.450 2.880 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@H](C)Cn2cncn2)cc1 ZINC000164175583 186151244 /nfs/dbraw/zinc/15/12/44/186151244.db2.gz HANKYMLVNAGPDZ-KGLIPLIRSA-N 2 1 310.405 2.512 20 0 DFADMP Cc1ccc(CCC[NH+]2CCC([N@@H+](C)CCCO)CC2)cc1 ZINC000181887111 186215313 /nfs/dbraw/zinc/21/53/13/186215313.db2.gz MBFGCFIMYWQNJR-UHFFFAOYSA-N 2 1 304.478 2.706 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000181925800 186219733 /nfs/dbraw/zinc/21/97/33/186219733.db2.gz OHHCTWDUWFQODT-ZDUSSCGKSA-N 2 1 301.434 2.922 20 0 DFADMP C[NH+]1CCC([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC1 ZINC000177937944 282712385 /nfs/dbraw/zinc/71/23/85/282712385.db2.gz NFQPDRICNNWHOL-SFHVURJKSA-N 2 1 302.418 2.593 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)CC[N@H+]1Cc1ccccc1 ZINC000237507278 186299120 /nfs/dbraw/zinc/29/91/20/186299120.db2.gz SYCSQSIQBXWUIU-HYVNUMGLSA-N 2 1 317.477 2.529 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(O)ccc1Br ZINC000414814672 295821213 /nfs/dbraw/zinc/82/12/13/295821213.db2.gz ZOAGGPXXPJWECI-IINYFYTJSA-N 2 1 313.239 2.762 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](C)Cc2ccccc2)CC1 ZINC000182038369 199377783 /nfs/dbraw/zinc/37/77/83/199377783.db2.gz VFQKRSMJBQNYQY-ZWKOTPCHSA-N 2 1 318.505 2.890 20 0 DFADMP FC(F)(F)Oc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414814849 295821266 /nfs/dbraw/zinc/82/12/66/295821266.db2.gz OFEWSBYQECHNGN-FUNVUKJBSA-N 2 1 300.324 2.958 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000459734877 299176504 /nfs/dbraw/zinc/17/65/04/299176504.db2.gz OSTPDSOJVIMWLK-ZDUSSCGKSA-N 2 1 324.852 2.933 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414825748 295822707 /nfs/dbraw/zinc/82/27/07/295822707.db2.gz HPKNJXHUJGBSBB-OAHLLOKOSA-N 2 1 316.424 2.717 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459741900 299178794 /nfs/dbraw/zinc/17/87/94/299178794.db2.gz BBEZYSNLBGOUKK-JKSUJKDBSA-N 2 1 312.498 2.669 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(N3CCCC3)nc2)CCCCCC1 ZINC000414858771 295827215 /nfs/dbraw/zinc/82/72/15/295827215.db2.gz LFYQXPZIUPJCTD-UHFFFAOYSA-N 2 1 302.466 2.823 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1cccc(Br)c1OC(F)F ZINC000414858477 295826996 /nfs/dbraw/zinc/82/69/96/295826996.db2.gz JOHZQXYINWRMHH-UHFFFAOYSA-N 2 1 323.181 2.750 20 0 DFADMP CCCOc1ccc(C[NH2+]C[C@@H]2CC[NH2+]C2)c(OCCC)c1 ZINC000414904404 295832707 /nfs/dbraw/zinc/83/27/07/295832707.db2.gz JYRBPWDIBGQBME-OAHLLOKOSA-N 2 1 306.450 2.963 20 0 DFADMP FC(F)C1CC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000681089163 545594794 /nfs/dbraw/zinc/59/47/94/545594794.db2.gz JDSJYAWHLPVCOC-UHFFFAOYSA-N 2 1 310.388 2.652 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(SC)cc1OC ZINC000414934119 295837229 /nfs/dbraw/zinc/83/72/29/295837229.db2.gz AFKZIROYGIGTHC-WCQYABFASA-N 2 1 310.463 2.513 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414951591 295839620 /nfs/dbraw/zinc/83/96/20/295839620.db2.gz HOSHPEYJTZEPLP-XIKOKIGWSA-N 2 1 316.424 2.716 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c(OC(F)F)c1 ZINC000414961808 295841609 /nfs/dbraw/zinc/84/16/09/295841609.db2.gz ZEFQOFLTVJXAAS-ZYHUDNBSSA-N 2 1 300.349 2.527 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000414969842 295842601 /nfs/dbraw/zinc/84/26/01/295842601.db2.gz JRHPCGQBTOPGIG-KRWDZBQOSA-N 2 1 316.424 2.548 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000072605940 191200764 /nfs/dbraw/zinc/20/07/64/191200764.db2.gz UWTKDJNEXBMQMC-UHFFFAOYSA-N 2 1 303.450 2.786 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414995874 295845380 /nfs/dbraw/zinc/84/53/80/295845380.db2.gz FWYWZVKZFBLWJM-GFCCVEGCSA-N 2 1 324.350 2.550 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c1 ZINC000414993736 295844918 /nfs/dbraw/zinc/84/49/18/295844918.db2.gz CNJGJQSXHUPGBW-OAHLLOKOSA-N 2 1 320.387 2.720 20 0 DFADMP C[C@@H](CCc1ccccc1F)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415011243 295847174 /nfs/dbraw/zinc/84/71/74/295847174.db2.gz ZSVCYFVHXOSLNX-GXTWGEPZSA-N 2 1 300.368 2.981 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@H](C)C1 ZINC000173364151 198207197 /nfs/dbraw/zinc/20/71/97/198207197.db2.gz PKXHOLKDMFCHDO-RHSMWYFYSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@H](C)C1 ZINC000173364151 198207198 /nfs/dbraw/zinc/20/71/98/198207198.db2.gz PKXHOLKDMFCHDO-RHSMWYFYSA-N 2 1 316.424 2.831 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000459794325 299195058 /nfs/dbraw/zinc/19/50/58/299195058.db2.gz UJIVXNOIPUBDPA-ZDUSSCGKSA-N 2 1 324.852 2.948 20 0 DFADMP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000173490323 198220464 /nfs/dbraw/zinc/22/04/64/198220464.db2.gz SWKCTRSRFGAUIX-SJLPKXTDSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000173490323 198220466 /nfs/dbraw/zinc/22/04/66/198220466.db2.gz SWKCTRSRFGAUIX-SJLPKXTDSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173490323 198220467 /nfs/dbraw/zinc/22/04/67/198220467.db2.gz SWKCTRSRFGAUIX-SJLPKXTDSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173490323 198220468 /nfs/dbraw/zinc/22/04/68/198220468.db2.gz SWKCTRSRFGAUIX-SJLPKXTDSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)N1CCC([NH2+]C[C@H](C(CC)CC)[NH+](C)C)CC1 ZINC000124141767 282861008 /nfs/dbraw/zinc/86/10/08/282861008.db2.gz CNTIAASTJKPHJS-MRXNPFEDSA-N 2 1 313.486 2.563 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)N[C@H](C)c2ccccc2)CC1 ZINC000173620805 198233263 /nfs/dbraw/zinc/23/32/63/198233263.db2.gz VODBHLKGGBXHDV-HZPDHXFCSA-N 2 1 317.477 2.715 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@@H](C[NH3+])C3CCCC3)CC2)n1 ZINC000415069681 295854191 /nfs/dbraw/zinc/85/41/91/295854191.db2.gz TUUFYWVFFNDERX-NRXISQOPSA-N 2 1 306.454 2.765 20 0 DFADMP COc1ccc(C2(C[NH2+][C@@H]3CC[NH2+]C3)CCCCC2)cc1OC ZINC000415082641 295855897 /nfs/dbraw/zinc/85/58/97/295855897.db2.gz DLOHODJZYKEOKU-MRXNPFEDSA-N 2 1 318.461 2.857 20 0 DFADMP C[C@H]1C[C@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000415084106 295855791 /nfs/dbraw/zinc/85/57/91/295855791.db2.gz QZTDJWSNIQAPCZ-FUHWJXTLSA-N 3 1 301.478 2.629 20 0 DFADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000073895165 398707742 /nfs/dbraw/zinc/70/77/42/398707742.db2.gz GKKWGAUDBTYUCC-GOSISDBHSA-N 2 1 320.477 2.539 20 0 DFADMP Cc1cccc(OC[C@H](O)C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000073895165 398707744 /nfs/dbraw/zinc/70/77/44/398707744.db2.gz GKKWGAUDBTYUCC-GOSISDBHSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000108462049 398711598 /nfs/dbraw/zinc/71/15/98/398711598.db2.gz DXHKNUDUYVZQLX-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129446289 283015999 /nfs/dbraw/zinc/01/59/99/283015999.db2.gz LUDRWVKVGLVDOP-QWHCGFSZSA-N 2 1 308.388 2.544 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]([NH+]3CCCCCC3)C2)CC[N@H+]1C ZINC000377959372 291038338 /nfs/dbraw/zinc/03/83/38/291038338.db2.gz ZWEASXUBIRLLJY-BZSNNMDCSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+]2CCCCCC2)CC[N@H+]1C ZINC000368250727 291038852 /nfs/dbraw/zinc/03/88/52/291038852.db2.gz RHXBJZAHXPGPEP-BZSNNMDCSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000074188255 398729775 /nfs/dbraw/zinc/72/97/75/398729775.db2.gz UVOXCCBENOQWGF-UHFFFAOYSA-N 2 1 320.481 2.779 20 0 DFADMP CCN(C(=O)C[N@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000130905849 283065338 /nfs/dbraw/zinc/06/53/38/283065338.db2.gz NHDUHIBMCMNJFL-UHFFFAOYSA-N 2 1 320.481 2.695 20 0 DFADMP CCN(C(=O)C[N@@H+](C)CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000130905849 283065339 /nfs/dbraw/zinc/06/53/39/283065339.db2.gz NHDUHIBMCMNJFL-UHFFFAOYSA-N 2 1 320.481 2.695 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC3CC[NH2+]CC3)c2C1 ZINC000236811636 202022209 /nfs/dbraw/zinc/02/22/09/202022209.db2.gz JXJGBQIBRZZBJY-UHFFFAOYSA-N 2 1 301.434 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)CC3CC[NH2+]CC3)c2C1 ZINC000236811636 202022211 /nfs/dbraw/zinc/02/22/11/202022211.db2.gz JXJGBQIBRZZBJY-UHFFFAOYSA-N 2 1 301.434 2.740 20 0 DFADMP C[N@H+]1CC[C@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)C1 ZINC000591440905 398761682 /nfs/dbraw/zinc/76/16/82/398761682.db2.gz JWCMIEGYBSJLNT-KRWDZBQOSA-N 2 1 315.461 2.605 20 0 DFADMP CCCCC[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)CC1 ZINC000117879405 398768208 /nfs/dbraw/zinc/76/82/08/398768208.db2.gz OWAYLPPWMUFJFL-UHFFFAOYSA-N 2 1 303.494 2.926 20 0 DFADMP CCC[C@H]1[C@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729276 299246670 /nfs/dbraw/zinc/24/66/70/299246670.db2.gz DIJMYPDNDKXXPU-AEFFLSMTSA-N 2 1 323.525 2.876 20 0 DFADMP CCCc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000591716967 398782488 /nfs/dbraw/zinc/78/24/88/398782488.db2.gz CEXZZMGAEBHUAH-UHFFFAOYSA-N 2 1 303.494 2.756 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]([NH2+]C)C2)cc1 ZINC000261732585 283188477 /nfs/dbraw/zinc/18/84/77/283188477.db2.gz MZFDUHZOULGUTJ-GOSISDBHSA-N 2 1 317.477 2.743 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC([NH2+]C)CC2)cc1)C(C)C ZINC000236992494 202111958 /nfs/dbraw/zinc/11/19/58/202111958.db2.gz CFCNNOFTRCTQPK-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP C[N@@H+](CCCNC(=O)CCC1CC[NH2+]CC1)C1CCCCC1 ZINC000237066384 202141527 /nfs/dbraw/zinc/14/15/27/202141527.db2.gz FIZGZYDXSDVAIB-UHFFFAOYSA-N 2 1 309.498 2.537 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000237163436 202171386 /nfs/dbraw/zinc/17/13/86/202171386.db2.gz SMBANUYFQLYOSW-UHFFFAOYSA-N 2 1 314.477 2.531 20 0 DFADMP C[NH2+]CCCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000237182536 202179655 /nfs/dbraw/zinc/17/96/55/202179655.db2.gz YBNNQWFXLUBSMJ-MRXNPFEDSA-N 2 1 317.477 2.677 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000292367474 223027626 /nfs/dbraw/zinc/02/76/26/223027626.db2.gz RRZSGSVFGPIEOK-SFHVURJKSA-N 2 1 315.392 2.915 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594491148 398808104 /nfs/dbraw/zinc/80/81/04/398808104.db2.gz WZMWGUCVBFHUJT-SFHVURJKSA-N 2 1 316.445 2.925 20 0 DFADMP CCC[N@@H+](C[C@H]1CCC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000262552894 283289751 /nfs/dbraw/zinc/28/97/51/283289751.db2.gz STHJBPVBWXNLGZ-HOTGVXAUSA-N 2 1 304.434 2.538 20 0 DFADMP CC(C)CSCCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000594503178 398811452 /nfs/dbraw/zinc/81/14/52/398811452.db2.gz VFXAXQBGJATUIQ-KRWDZBQOSA-N 2 1 314.539 2.999 20 0 DFADMP CC(C)[C@H](C[NH2+]Cc1c[nH+]ccc1N(C)C)C(=O)OC(C)(C)C ZINC000594517468 398814507 /nfs/dbraw/zinc/81/45/07/398814507.db2.gz CFKJUAUKJZBCMI-HNNXBMFYSA-N 2 1 321.465 2.851 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000594510517 398812776 /nfs/dbraw/zinc/81/27/76/398812776.db2.gz AFNFLQNAHQSKRZ-OAGGEKHMSA-N 2 1 310.482 2.817 20 0 DFADMP CC[C@@H]([NH3+])C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000130356984 398844391 /nfs/dbraw/zinc/84/43/91/398844391.db2.gz OTQVESJCXRHOOZ-OAHLLOKOSA-N 2 1 300.406 2.731 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]C[C@@](C)(O)c2ccc(F)cc2F)CC1 ZINC000180458626 199161524 /nfs/dbraw/zinc/16/15/24/199161524.db2.gz JXNJIVPJOCXRPP-QGZVFWFLSA-N 2 1 312.404 2.635 20 0 DFADMP CCCC[N@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000052869793 398854265 /nfs/dbraw/zinc/85/42/65/398854265.db2.gz VQWGCFNWHKHDEX-KRWDZBQOSA-N 2 1 317.477 2.624 20 0 DFADMP CCCC[N@@H+](C)CC(=O)N1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000052869793 398854268 /nfs/dbraw/zinc/85/42/68/398854268.db2.gz VQWGCFNWHKHDEX-KRWDZBQOSA-N 2 1 317.477 2.624 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)o1 ZINC000237349804 202240371 /nfs/dbraw/zinc/24/03/71/202240371.db2.gz KWFWGDMUVOWGFU-LBPRGKRZSA-N 2 1 313.405 2.909 20 0 DFADMP COCCOc1ccccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276614775 213000801 /nfs/dbraw/zinc/00/08/01/213000801.db2.gz GIJPSHAYIJQMCR-UHFFFAOYSA-N 2 1 320.477 2.923 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@H]2CC=CCC2)C1 ZINC000180996250 199238782 /nfs/dbraw/zinc/23/87/82/199238782.db2.gz JJWQNOBJTIOSEJ-LPHOPBHVSA-N 2 1 300.446 2.699 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+](C(C)C)CC2)c1C ZINC000598953029 398896043 /nfs/dbraw/zinc/89/60/43/398896043.db2.gz QZJGQNNHWQSHQI-UHFFFAOYSA-N 2 1 321.465 2.771 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000469985515 299290512 /nfs/dbraw/zinc/29/05/12/299290512.db2.gz YKSDNTVCEYYQNB-BRWVUGGUSA-N 2 1 323.525 2.876 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCc2ccc3c(c2)CCO3)CC1 ZINC000281019008 216024936 /nfs/dbraw/zinc/02/49/36/216024936.db2.gz ZDZAGPZHVDXTEA-GOSISDBHSA-N 2 1 302.462 2.970 20 0 DFADMP C[C@H](CC(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)C1CC[NH2+]CC1 ZINC000237531098 202273364 /nfs/dbraw/zinc/27/33/64/202273364.db2.gz VMSIGJUOQSVPOC-HZPDHXFCSA-N 2 1 323.525 2.639 20 0 DFADMP C[C@@H](CNC(=O)CCCCCC[NH3+])[N@@H+]1CCc2sccc2C1 ZINC000237534230 202273377 /nfs/dbraw/zinc/27/33/77/202273377.db2.gz HQHXSUVORHBJIX-AWEZNQCLSA-N 2 1 323.506 2.520 20 0 DFADMP C[C@@H](CNC(=O)CCCCCC[NH3+])[N@H+]1CCc2sccc2C1 ZINC000237534230 202273380 /nfs/dbraw/zinc/27/33/80/202273380.db2.gz HQHXSUVORHBJIX-AWEZNQCLSA-N 2 1 323.506 2.520 20 0 DFADMP OCC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000187976501 200185649 /nfs/dbraw/zinc/18/56/49/200185649.db2.gz BQRHZXBUCVQACH-QUCCMNQESA-N 2 1 316.489 2.834 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CCN1C(=O)CCCCCC[NH3+] ZINC000237677640 202326567 /nfs/dbraw/zinc/32/65/67/202326567.db2.gz YLQDGUFVQMEUCO-KRWDZBQOSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1C(=O)CCCCCC[NH3+] ZINC000237677640 202326570 /nfs/dbraw/zinc/32/65/70/202326570.db2.gz YLQDGUFVQMEUCO-KRWDZBQOSA-N 2 1 317.477 2.629 20 0 DFADMP Fc1ccc(Cn2cc(C[NH2+]CCC[NH+]3CCCC3)cn2)cc1 ZINC000189007970 200334776 /nfs/dbraw/zinc/33/47/76/200334776.db2.gz OOIFWCBOJKTXMK-UHFFFAOYSA-N 2 1 316.424 2.646 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417392410 296016452 /nfs/dbraw/zinc/01/64/52/296016452.db2.gz BJJNMTBDNFIRNK-HWHMVJPJSA-N 2 1 300.446 2.685 20 0 DFADMP C[C@H](C[S@@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193280533 201019172 /nfs/dbraw/zinc/01/91/72/201019172.db2.gz JPPYYWLFSBXTNR-CQZUVIQCSA-N 2 1 320.502 2.539 20 0 DFADMP C[C@H](C[S@@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193280533 201019174 /nfs/dbraw/zinc/01/91/74/201019174.db2.gz JPPYYWLFSBXTNR-CQZUVIQCSA-N 2 1 320.502 2.539 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)cn1 ZINC000193984466 201158203 /nfs/dbraw/zinc/15/82/03/201158203.db2.gz LUHCAIISBHRYBV-BPQIPLTHSA-N 2 1 324.428 2.623 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cc(Cl)cs2)CC1 ZINC000194385707 201216786 /nfs/dbraw/zinc/21/67/86/201216786.db2.gz CSJFLMPYQLKCJZ-LBPRGKRZSA-N 2 1 316.898 2.926 20 0 DFADMP CCCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271844072 209261310 /nfs/dbraw/zinc/26/13/10/209261310.db2.gz RQMBRVYCKXBXRH-UHFFFAOYSA-N 2 1 304.434 2.836 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@H](CC(=O)OC)[C@@H]1C)[NH+](C)C ZINC000474470697 299337263 /nfs/dbraw/zinc/33/72/63/299337263.db2.gz FNZPAPFUZSLIHA-SVGFKBNWSA-N 2 1 312.498 2.920 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)OCCCO2 ZINC000271842371 209259349 /nfs/dbraw/zinc/25/93/49/209259349.db2.gz GYERYDGLSNFVGX-CQSZACIVSA-N 2 1 302.418 2.760 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3COC(C)(C)C3)c2)CCO1 ZINC000417872002 296059623 /nfs/dbraw/zinc/05/96/23/296059623.db2.gz KJEXDRUSZIVCEP-QAPCUYQASA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3COC(C)(C)C3)c2)CCO1 ZINC000417872002 296059625 /nfs/dbraw/zinc/05/96/25/296059625.db2.gz KJEXDRUSZIVCEP-QAPCUYQASA-N 2 1 318.461 2.564 20 0 DFADMP COCc1cc([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC ZINC000271813902 209238238 /nfs/dbraw/zinc/23/82/38/209238238.db2.gz BDBVCJZXPUAFFP-AWEZNQCLSA-N 2 1 304.434 2.754 20 0 DFADMP C[N@@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000605421269 399018182 /nfs/dbraw/zinc/01/81/82/399018182.db2.gz GCLXHAWDERCTPU-GFCCVEGCSA-N 2 1 310.825 2.842 20 0 DFADMP C[N@H+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000605421269 399018184 /nfs/dbraw/zinc/01/81/84/399018184.db2.gz GCLXHAWDERCTPU-GFCCVEGCSA-N 2 1 310.825 2.842 20 0 DFADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000605421269 399018186 /nfs/dbraw/zinc/01/81/86/399018186.db2.gz GCLXHAWDERCTPU-GFCCVEGCSA-N 2 1 310.825 2.842 20 0 DFADMP C[NH+](Cc1cc2c(c(Cl)c1)OCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000605421269 399018187 /nfs/dbraw/zinc/01/81/87/399018187.db2.gz GCLXHAWDERCTPU-GFCCVEGCSA-N 2 1 310.825 2.842 20 0 DFADMP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000275341214 212281318 /nfs/dbraw/zinc/28/13/18/212281318.db2.gz XDNHLQGMBUHFHU-WBVHZDCISA-N 2 1 316.445 2.582 20 0 DFADMP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000275341214 212281322 /nfs/dbraw/zinc/28/13/22/212281322.db2.gz XDNHLQGMBUHFHU-WBVHZDCISA-N 2 1 316.445 2.582 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000092043312 193145101 /nfs/dbraw/zinc/14/51/01/193145101.db2.gz VJIADLCTECSSBK-YJBOKZPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000092043312 193145103 /nfs/dbraw/zinc/14/51/03/193145103.db2.gz VJIADLCTECSSBK-YJBOKZPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000092043312 193145104 /nfs/dbraw/zinc/14/51/04/193145104.db2.gz VJIADLCTECSSBK-YJBOKZPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc(OC)c1 ZINC000092043312 193145106 /nfs/dbraw/zinc/14/51/06/193145106.db2.gz VJIADLCTECSSBK-YJBOKZPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000092043313 193146268 /nfs/dbraw/zinc/14/62/68/193146268.db2.gz VJIADLCTECSSBK-QAPCUYQASA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000092043313 193146270 /nfs/dbraw/zinc/14/62/70/193146270.db2.gz VJIADLCTECSSBK-QAPCUYQASA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000092043313 193146271 /nfs/dbraw/zinc/14/62/71/193146271.db2.gz VJIADLCTECSSBK-QAPCUYQASA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc(OC)c1 ZINC000092043313 193146273 /nfs/dbraw/zinc/14/62/73/193146273.db2.gz VJIADLCTECSSBK-QAPCUYQASA-N 2 1 304.434 2.620 20 0 DFADMP COC(=O)[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@H]2CCC[C@@H]21 ZINC000599651423 399044637 /nfs/dbraw/zinc/04/46/37/399044637.db2.gz BIGREHMILKXHDT-ZACQAIPSSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@H]2CCC[C@@H]21 ZINC000599651423 399044640 /nfs/dbraw/zinc/04/46/40/399044640.db2.gz BIGREHMILKXHDT-ZACQAIPSSA-N 2 1 319.449 2.635 20 0 DFADMP CCOC(=O)CC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000079443017 399044790 /nfs/dbraw/zinc/04/47/90/399044790.db2.gz NSGBAFKTOGDXCM-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000079443017 399044793 /nfs/dbraw/zinc/04/47/93/399044793.db2.gz NSGBAFKTOGDXCM-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000079443017 399044799 /nfs/dbraw/zinc/04/47/99/399044799.db2.gz NSGBAFKTOGDXCM-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000079443017 399044802 /nfs/dbraw/zinc/04/48/02/399044802.db2.gz NSGBAFKTOGDXCM-FUHWJXTLSA-N 2 1 318.461 2.782 20 0 DFADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000477925144 299364465 /nfs/dbraw/zinc/36/44/65/299364465.db2.gz HWUKPECPGOSWPY-YDZRNGNQSA-N 2 1 300.446 2.981 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(C(=O)OC)CC1 ZINC000599662031 399050642 /nfs/dbraw/zinc/05/06/42/399050642.db2.gz WNIWTNSDOKSCKU-UHFFFAOYSA-N 2 1 304.434 2.523 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cnn(C)c3C)C1)CCCC2 ZINC000275287401 212249631 /nfs/dbraw/zinc/24/96/31/212249631.db2.gz LFXYFCCFZOVPTE-INIZCTEOSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cnn(C)c3C)C1)CCCC2 ZINC000275287401 212249633 /nfs/dbraw/zinc/24/96/33/212249633.db2.gz LFXYFCCFZOVPTE-INIZCTEOSA-N 2 1 313.449 2.559 20 0 DFADMP COC(=O)C1C[C@@H](C)[NH+](CCCCn2cc[nH+]c2C)[C@H](C)C1 ZINC000599697555 399068750 /nfs/dbraw/zinc/06/87/50/399068750.db2.gz RPYOSAJRPRBVNJ-ZIAGYGMSSA-N 2 1 307.438 2.634 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293069525 223381596 /nfs/dbraw/zinc/38/15/96/223381596.db2.gz VGTKEEDFROYXPT-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000293069525 223381598 /nfs/dbraw/zinc/38/15/98/223381598.db2.gz VGTKEEDFROYXPT-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293069525 223381600 /nfs/dbraw/zinc/38/16/00/223381600.db2.gz VGTKEEDFROYXPT-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293069525 223381602 /nfs/dbraw/zinc/38/16/02/223381602.db2.gz VGTKEEDFROYXPT-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000057911496 399070563 /nfs/dbraw/zinc/07/05/63/399070563.db2.gz QCYSZOXUMITPLW-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780891 399076032 /nfs/dbraw/zinc/07/60/32/399076032.db2.gz WZBLNFQBEILYGC-DYVFJYSZSA-N 2 1 319.474 2.550 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621780891 399076039 /nfs/dbraw/zinc/07/60/39/399076039.db2.gz WZBLNFQBEILYGC-DYVFJYSZSA-N 2 1 319.474 2.550 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295083763 284019282 /nfs/dbraw/zinc/01/92/82/284019282.db2.gz QRGHAAJNVVGIAL-NQYYFHDYSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[C@@H](CO)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000295083765 284019425 /nfs/dbraw/zinc/01/94/25/284019425.db2.gz QRGHAAJNVVGIAL-OWYHZJEWSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000092253455 193180649 /nfs/dbraw/zinc/18/06/49/193180649.db2.gz QBVGQOFEXNKATH-CQSZACIVSA-N 2 1 302.422 2.752 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)o1 ZINC000092253455 193180651 /nfs/dbraw/zinc/18/06/51/193180651.db2.gz QBVGQOFEXNKATH-CQSZACIVSA-N 2 1 302.422 2.752 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)o1 ZINC000092253455 193180653 /nfs/dbraw/zinc/18/06/53/193180653.db2.gz QBVGQOFEXNKATH-CQSZACIVSA-N 2 1 302.422 2.752 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000092253455 193180655 /nfs/dbraw/zinc/18/06/55/193180655.db2.gz QBVGQOFEXNKATH-CQSZACIVSA-N 2 1 302.422 2.752 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000092253456 193181383 /nfs/dbraw/zinc/18/13/83/193181383.db2.gz QBVGQOFEXNKATH-AWEZNQCLSA-N 2 1 302.422 2.752 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000092253456 193181385 /nfs/dbraw/zinc/18/13/85/193181385.db2.gz QBVGQOFEXNKATH-AWEZNQCLSA-N 2 1 302.422 2.752 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000092253456 193181387 /nfs/dbraw/zinc/18/13/87/193181387.db2.gz QBVGQOFEXNKATH-AWEZNQCLSA-N 2 1 302.422 2.752 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000092253456 193181388 /nfs/dbraw/zinc/18/13/88/193181388.db2.gz QBVGQOFEXNKATH-AWEZNQCLSA-N 2 1 302.422 2.752 20 0 DFADMP CC[C@H](C[N@@H+](C)[C@@H]1CCC[NH+](C[C@@H](CC)OC)CC1)OC ZINC000419247563 296129955 /nfs/dbraw/zinc/12/99/55/296129955.db2.gz XFZGZFCMKDCAEY-BRWVUGGUSA-N 2 1 300.487 2.623 20 0 DFADMP CC[C@H](C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](CC)OC)CC1)OC ZINC000419247563 296129956 /nfs/dbraw/zinc/12/99/56/296129956.db2.gz XFZGZFCMKDCAEY-BRWVUGGUSA-N 2 1 300.487 2.623 20 0 DFADMP CC[C@H](C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](CC)OC)CC1)OC ZINC000419247563 296129959 /nfs/dbraw/zinc/12/99/59/296129959.db2.gz XFZGZFCMKDCAEY-BRWVUGGUSA-N 2 1 300.487 2.623 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1)C(C)C ZINC000419286863 296132022 /nfs/dbraw/zinc/13/20/22/296132022.db2.gz GCBOKDWNUAWBBU-HNNXBMFYSA-N 2 1 309.498 2.627 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000261778962 203114942 /nfs/dbraw/zinc/11/49/42/203114942.db2.gz WRLHUUGZARMRAK-GDBMZVCRSA-N 2 1 306.450 2.566 20 0 DFADMP CC[C@H](C)C[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000093074744 193200979 /nfs/dbraw/zinc/20/09/79/193200979.db2.gz OFVNVQRBECNRAG-YJBOKZPZSA-N 2 1 317.477 2.520 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1cccs1)CC1CC[NH+](C)CC1 ZINC000093088841 193201924 /nfs/dbraw/zinc/20/19/24/193201924.db2.gz DNBALBITKQLMPV-UHFFFAOYSA-N 2 1 304.463 2.912 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262148097 203211316 /nfs/dbraw/zinc/21/13/16/203211316.db2.gz QWSOIQZILSITMM-AYBZRNKSSA-N 2 1 317.477 2.673 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)c1ccc(NC(N)=O)cc1 ZINC000261906563 299400319 /nfs/dbraw/zinc/40/03/19/299400319.db2.gz PMVSRLOIGLAUCH-MZPVMMEZSA-N 2 1 310.401 2.973 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000262111959 203202109 /nfs/dbraw/zinc/20/21/09/203202109.db2.gz HCHWIHGEGBTCSE-YJBOKZPZSA-N 2 1 317.477 2.662 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H](c1ccccc1Cl)[NH+](C)C ZINC000262314640 203257405 /nfs/dbraw/zinc/25/74/05/203257405.db2.gz OYPWABQDLYZQDG-GDBMZVCRSA-N 2 1 311.857 2.576 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(OC)c2)C1 ZINC000340194241 284157765 /nfs/dbraw/zinc/15/77/65/284157765.db2.gz HPODPHLBURSQNY-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCCC2)C[C@H]1c1ccccc1 ZINC000340174234 284155205 /nfs/dbraw/zinc/15/52/05/284155205.db2.gz NNKZLGCYNPMEAA-MOPGFXCFSA-N 2 1 301.478 2.897 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340193107 284157195 /nfs/dbraw/zinc/15/71/95/284157195.db2.gz SLWCHIPIKPJVBS-CEXWTWQISA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340193107 284157200 /nfs/dbraw/zinc/15/72/00/284157200.db2.gz SLWCHIPIKPJVBS-CEXWTWQISA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340193107 284157204 /nfs/dbraw/zinc/15/72/04/284157204.db2.gz SLWCHIPIKPJVBS-CEXWTWQISA-N 2 1 301.478 2.896 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340293694 284169250 /nfs/dbraw/zinc/16/92/50/284169250.db2.gz UQKFAGJHGUGBHV-IAGOWNOFSA-N 2 1 317.477 2.716 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCC(=O)NC(C)(C)C)C[C@@H]1c1ccccc1 ZINC000340293694 284169254 /nfs/dbraw/zinc/16/92/54/284169254.db2.gz UQKFAGJHGUGBHV-IAGOWNOFSA-N 2 1 317.477 2.716 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305342 284171857 /nfs/dbraw/zinc/17/18/57/284171857.db2.gz HMJHAJCYDAFNSI-GVDBMIGSSA-N 2 1 308.491 2.526 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340305342 284171860 /nfs/dbraw/zinc/17/18/60/284171860.db2.gz HMJHAJCYDAFNSI-GVDBMIGSSA-N 2 1 308.491 2.526 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cc[nH]c3)CC2)C[C@H](C)O1 ZINC000093844352 193317613 /nfs/dbraw/zinc/31/76/13/193317613.db2.gz GIBXYZQRPMCOEM-IYBDPMFKSA-N 2 1 305.466 2.726 20 0 DFADMP CC[C@@H](Cn1cncn1)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000340520098 284185839 /nfs/dbraw/zinc/18/58/39/284185839.db2.gz OLXDTUQIUGMZSI-YOEHRIQHSA-N 2 1 324.432 2.902 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccc(Cl)cc1 ZINC000420279928 296168641 /nfs/dbraw/zinc/16/86/41/296168641.db2.gz XTXASAQXVIHMTO-WFASDCNBSA-N 2 1 309.841 2.870 20 0 DFADMP OC[C@@H]1C=C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000341247243 284259326 /nfs/dbraw/zinc/25/93/26/284259326.db2.gz OXLFWRLEGYHBGL-KGEPEWOVSA-N 2 1 312.457 2.709 20 0 DFADMP CC(C)C[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420293713 296170156 /nfs/dbraw/zinc/17/01/56/296170156.db2.gz ADUCEKKWSLDYDJ-FHWLQOOXSA-N 2 1 304.478 2.675 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1CN ZINC000420290408 296169944 /nfs/dbraw/zinc/16/99/44/296169944.db2.gz LYVQWPZWFQWGBT-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1C[NH3+] ZINC000420290408 296169947 /nfs/dbraw/zinc/16/99/47/296169947.db2.gz LYVQWPZWFQWGBT-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1C[NH3+] ZINC000420290408 296169949 /nfs/dbraw/zinc/16/99/49/296169949.db2.gz LYVQWPZWFQWGBT-IUODEOHRSA-N 2 1 309.841 2.728 20 0 DFADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H](C)C(=O)Nc1ccccc1 ZINC000420293836 296170534 /nfs/dbraw/zinc/17/05/34/296170534.db2.gz ANYBLMDCZVIABX-HOTGVXAUSA-N 2 1 303.450 2.725 20 0 DFADMP Cc1ccc([C@H](C)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420295815 296170621 /nfs/dbraw/zinc/17/06/21/296170621.db2.gz AXCSVPKDMXPXEN-VDGAXYAQSA-N 2 1 312.457 2.919 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420295691 296170652 /nfs/dbraw/zinc/17/06/52/296170652.db2.gz VYPUHQJVYIMODJ-NWDGAFQWSA-N 2 1 300.805 2.917 20 0 DFADMP COCC[N@@H+](CC[C@H]1CC[NH2+]C1)Cc1ccc(F)cc1Cl ZINC000420297507 296171063 /nfs/dbraw/zinc/17/10/63/296171063.db2.gz GAMVRLXODIEWSF-CYBMUJFWSA-N 2 1 314.832 2.927 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+](CC1CC1)C1CCCCC1 ZINC000420297842 296171069 /nfs/dbraw/zinc/17/10/69/296171069.db2.gz GHSZFHGLDURPHS-PMACEKPBSA-N 2 1 316.489 2.962 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@@H+](CC1CC1)C1CCCCC1 ZINC000420297842 296171070 /nfs/dbraw/zinc/17/10/70/296171070.db2.gz GHSZFHGLDURPHS-PMACEKPBSA-N 2 1 316.489 2.962 20 0 DFADMP FC(F)(F)c1cc([C@@H]2CCC[N@@H+](CC[C@H]3CC[NH2+]C3)C2)[nH]n1 ZINC000420302112 296171629 /nfs/dbraw/zinc/17/16/29/296171629.db2.gz MDDHSAQJNYOOKK-VXGBXAGGSA-N 2 1 316.371 2.608 20 0 DFADMP Cc1ncsc1C[N@H+](CC[C@@H]1CCCCO1)C[C@@H]1CC[NH2+]C1 ZINC000420302729 296171685 /nfs/dbraw/zinc/17/16/85/296171685.db2.gz BWBDRKGFLDABMK-CVEARBPZSA-N 2 1 323.506 2.822 20 0 DFADMP Cc1ncsc1C[N@@H+](CC[C@@H]1CCCCO1)C[C@@H]1CC[NH2+]C1 ZINC000420302729 296171686 /nfs/dbraw/zinc/17/16/86/296171686.db2.gz BWBDRKGFLDABMK-CVEARBPZSA-N 2 1 323.506 2.822 20 0 DFADMP Fc1ccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1F ZINC000420300325 296171472 /nfs/dbraw/zinc/17/14/72/296171472.db2.gz KAKHTGMMRAUJJU-GUYCJALGSA-N 2 1 310.388 2.728 20 0 DFADMP Fc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)cc1F ZINC000420300325 296171473 /nfs/dbraw/zinc/17/14/73/296171473.db2.gz KAKHTGMMRAUJJU-GUYCJALGSA-N 2 1 310.388 2.728 20 0 DFADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC[C@H]1CCCO1 ZINC000607358310 399160673 /nfs/dbraw/zinc/16/06/73/399160673.db2.gz MYEMXGFYNHWZMC-RTBURBONSA-N 2 1 324.509 2.770 20 0 DFADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)OC[C@H]1CCCO1 ZINC000607358310 399160677 /nfs/dbraw/zinc/16/06/77/399160677.db2.gz MYEMXGFYNHWZMC-RTBURBONSA-N 2 1 324.509 2.770 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1cccc(Cl)c1 ZINC000420304097 296172091 /nfs/dbraw/zinc/17/20/91/296172091.db2.gz KUXCEYFKQBBLPL-ZDUSSCGKSA-N 2 1 309.841 2.600 20 0 DFADMP c1nn(-c2ccccc2)c2c1C[N@@H+](CC[C@H]1CCC[NH2+]C1)CC2 ZINC000420303894 296172250 /nfs/dbraw/zinc/17/22/50/296172250.db2.gz NWAVJGNBVFBDAL-MRXNPFEDSA-N 2 1 310.445 2.620 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC[NH3+])[C@@H]2CCCC[C@@H]12 ZINC000420302085 296171776 /nfs/dbraw/zinc/17/17/76/296171776.db2.gz LZPAKPHMULSZLA-SMLCLMEVSA-N 2 1 309.498 2.519 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000420308436 296172954 /nfs/dbraw/zinc/17/29/54/296172954.db2.gz SFWVWPKPCDKZQS-INIZCTEOSA-N 2 1 317.477 2.600 20 0 DFADMP COc1ccc([C@H](C[NH3+])CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000420307221 296172500 /nfs/dbraw/zinc/17/25/00/296172500.db2.gz BHHCDVFYJSABIR-QZTJIDSGSA-N 2 1 319.493 2.544 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420314257 296173780 /nfs/dbraw/zinc/17/37/80/296173780.db2.gz QKZXMENTKYUBOK-LBPRGKRZSA-N 2 1 300.805 2.919 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C2Cc3ccccc3C2)cc1 ZINC000420317782 296173982 /nfs/dbraw/zinc/17/39/82/296173982.db2.gz NYOZERUZSJLECY-GOSISDBHSA-N 2 1 310.441 2.837 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420319392 296174381 /nfs/dbraw/zinc/17/43/81/296174381.db2.gz ABFNLFOBIQVIBZ-JKSUJKDBSA-N 2 1 303.450 2.529 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1C ZINC000420323989 296175223 /nfs/dbraw/zinc/17/52/23/296175223.db2.gz AJMGHNLRIVZCCR-YESZJQIVSA-N 2 1 315.461 2.562 20 0 DFADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000420331617 296176399 /nfs/dbraw/zinc/17/63/99/296176399.db2.gz RAZYCSCLZNZZFB-CHWSQXEVSA-N 2 1 313.367 2.922 20 0 DFADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000420331619 296176409 /nfs/dbraw/zinc/17/64/09/296176409.db2.gz RAZYCSCLZNZZFB-OLZOCXBDSA-N 2 1 313.367 2.922 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420328683 296175942 /nfs/dbraw/zinc/17/59/42/296175942.db2.gz FIWHZTRLZWEKDD-OKILXGFUSA-N 2 1 316.424 2.627 20 0 DFADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1)OCCO2 ZINC000420327856 296176090 /nfs/dbraw/zinc/17/60/90/296176090.db2.gz YZNAZGGOILXWTI-ZBFHGGJFSA-N 2 1 302.418 2.594 20 0 DFADMP [NH3+]C[C@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336660 296177268 /nfs/dbraw/zinc/17/72/68/296177268.db2.gz WCCLJPQBJKGJPK-FUHWJXTLSA-N 2 1 300.446 2.751 20 0 DFADMP CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000420338752 296177454 /nfs/dbraw/zinc/17/74/54/296177454.db2.gz NXBAQQZNQFEZPI-MELADBBJSA-N 2 1 309.479 2.672 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929118 284293771 /nfs/dbraw/zinc/29/37/71/284293771.db2.gz BGPSKMJTYNBGOS-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929118 284293775 /nfs/dbraw/zinc/29/37/75/284293775.db2.gz BGPSKMJTYNBGOS-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929118 284293779 /nfs/dbraw/zinc/29/37/79/284293779.db2.gz BGPSKMJTYNBGOS-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](Cc1ccccc1)CC1(CO)CC1 ZINC000341929118 284293783 /nfs/dbraw/zinc/29/37/83/284293783.db2.gz BGPSKMJTYNBGOS-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420346945 296178279 /nfs/dbraw/zinc/17/82/79/296178279.db2.gz ZMVASFRSLAUKMK-IAGOWNOFSA-N 2 1 315.461 2.563 20 0 DFADMP CCCCc1noc([C@@H](C)[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000420346537 296178366 /nfs/dbraw/zinc/17/83/66/296178366.db2.gz YPKXPWFNMQWFPW-HIFRSBDPSA-N 2 1 306.454 2.937 20 0 DFADMP COCCOCCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274878154 212003261 /nfs/dbraw/zinc/00/32/61/212003261.db2.gz HACBGEBBYPNHDE-HKUYNNGSSA-N 2 1 320.477 2.540 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1ccccc1Cl ZINC000420353491 296178717 /nfs/dbraw/zinc/17/87/17/296178717.db2.gz BBBHDOMPLZQITD-KRWDZBQOSA-N 2 1 321.852 2.744 20 0 DFADMP [NH3+]C[C@@H]([NH2+]CCCOc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000420355609 296179176 /nfs/dbraw/zinc/17/91/76/296179176.db2.gz CCNALTXHEIXRSD-MRXNPFEDSA-N 2 1 320.433 2.681 20 0 DFADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1ccc(F)cc1)C1CCCCC1 ZINC000420357488 296179551 /nfs/dbraw/zinc/17/95/51/296179551.db2.gz DQPJQURYJFHIBU-INIZCTEOSA-N 2 1 307.413 2.652 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cccn1 ZINC000282531499 217066454 /nfs/dbraw/zinc/06/64/54/217066454.db2.gz QOIDRPNCGSSWGA-GOSISDBHSA-N 2 1 312.461 2.773 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCn1cccn1 ZINC000282531499 217066456 /nfs/dbraw/zinc/06/64/56/217066456.db2.gz QOIDRPNCGSSWGA-GOSISDBHSA-N 2 1 312.461 2.773 20 0 DFADMP COC(=O)c1cc2cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc2o1 ZINC000420365521 296180683 /nfs/dbraw/zinc/18/06/83/296180683.db2.gz QEHHHWFNEZJQAJ-HNNXBMFYSA-N 2 1 304.390 2.682 20 0 DFADMP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000420362041 296180424 /nfs/dbraw/zinc/18/04/24/296180424.db2.gz ACAAQIIYPPLSGZ-SNVBAGLBSA-N 2 1 319.268 2.623 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccc(Br)s1 ZINC000420362041 296180425 /nfs/dbraw/zinc/18/04/25/296180425.db2.gz ACAAQIIYPPLSGZ-SNVBAGLBSA-N 2 1 319.268 2.623 20 0 DFADMP COC(=O)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282560242 217089631 /nfs/dbraw/zinc/08/96/31/217089631.db2.gz UEGSLEYGLZCORP-QGZVFWFLSA-N 2 1 318.461 2.830 20 0 DFADMP COC(=O)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282560242 217089632 /nfs/dbraw/zinc/08/96/32/217089632.db2.gz UEGSLEYGLZCORP-QGZVFWFLSA-N 2 1 318.461 2.830 20 0 DFADMP [NH3+]C[C@@H]([NH2+]CCC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000420368652 296181425 /nfs/dbraw/zinc/18/14/25/296181425.db2.gz NWFOKMCTHKAWRD-MRXNPFEDSA-N 2 1 307.413 2.652 20 0 DFADMP CCC[C@@H](NC(=O)C[NH2+][C@@H]1CC[NH2+]CC1(C)C)c1ccccc1 ZINC000420365954 296180869 /nfs/dbraw/zinc/18/08/69/296180869.db2.gz QPCQGXBULZSHJQ-IAGOWNOFSA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@H](C)[C@H]1C[N@@H+](Cc2ccc(C)nc2)CCN1CCC[NH2+]C ZINC000420377212 296182702 /nfs/dbraw/zinc/18/27/02/296182702.db2.gz RYTCHODLCFFOFW-QFBILLFUSA-N 2 1 318.509 2.532 20 0 DFADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@@H+]1CCC[NH2+]C ZINC000420377212 296182706 /nfs/dbraw/zinc/18/27/06/296182706.db2.gz RYTCHODLCFFOFW-QFBILLFUSA-N 2 1 318.509 2.532 20 0 DFADMP CC[C@H](C)[C@H]1CN(Cc2ccc(C)nc2)CC[N@H+]1CCC[NH2+]C ZINC000420377212 296182708 /nfs/dbraw/zinc/18/27/08/296182708.db2.gz RYTCHODLCFFOFW-QFBILLFUSA-N 2 1 318.509 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420378067 296183064 /nfs/dbraw/zinc/18/30/64/296183064.db2.gz BBWLAKZYJNYAMB-DOTOQJQBSA-N 2 1 312.461 2.580 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420379886 296183594 /nfs/dbraw/zinc/18/35/94/296183594.db2.gz BMJKHKQBGBJKDG-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420379886 296183596 /nfs/dbraw/zinc/18/35/96/296183596.db2.gz BMJKHKQBGBJKDG-AEFFLSMTSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH2+]CCCN1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420382800 296184137 /nfs/dbraw/zinc/18/41/37/296184137.db2.gz YRHMGLPEKDQJKR-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH2+]CCCN1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000420382802 296184158 /nfs/dbraw/zinc/18/41/58/296184158.db2.gz YRHMGLPEKDQJKR-RTBURBONSA-N 2 1 301.478 2.582 20 0 DFADMP COc1cccc(C[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000282660294 217160361 /nfs/dbraw/zinc/16/03/61/217160361.db2.gz LUZJOFGCHMEIHY-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390942 296184760 /nfs/dbraw/zinc/18/47/60/296184760.db2.gz IBDNHWMSNBMRPP-PBHICJAKSA-N 2 1 319.424 2.618 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000342089056 284323653 /nfs/dbraw/zinc/32/36/53/284323653.db2.gz SCAOHCDTLWETTN-CVEARBPZSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)c(C)c1OC ZINC000342089056 284323654 /nfs/dbraw/zinc/32/36/54/284323654.db2.gz SCAOHCDTLWETTN-CVEARBPZSA-N 2 1 304.434 2.729 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1)Nc1ccccc1F ZINC000420387756 296184372 /nfs/dbraw/zinc/18/43/72/296184372.db2.gz GNMYUXHSWXWYEV-PBHICJAKSA-N 2 1 319.424 2.618 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342107997 284325929 /nfs/dbraw/zinc/32/59/29/284325929.db2.gz QHDMKWZTTRLUEL-WMHQRMGPSA-N 2 1 319.424 2.520 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342107997 284325931 /nfs/dbraw/zinc/32/59/31/284325931.db2.gz QHDMKWZTTRLUEL-WMHQRMGPSA-N 2 1 319.424 2.520 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420387784 296184546 /nfs/dbraw/zinc/18/45/46/296184546.db2.gz GOBPZPHVHVQECI-HZPDHXFCSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420387786 296185058 /nfs/dbraw/zinc/18/50/58/296185058.db2.gz GOBPZPHVHVQECI-JKSUJKDBSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H](Cc1cccc(Cl)c1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000282700036 217186344 /nfs/dbraw/zinc/18/63/44/217186344.db2.gz QBEICSLCTFFMSQ-INIZCTEOSA-N 2 1 323.912 2.888 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390945 296185467 /nfs/dbraw/zinc/18/54/67/296185467.db2.gz IBDNHWMSNBMRPP-YOEHRIQHSA-N 2 1 319.424 2.618 20 0 DFADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000420395233 296185835 /nfs/dbraw/zinc/18/58/35/296185835.db2.gz DEUWYVKTZMLAOZ-QWHCGFSZSA-N 2 1 309.841 2.585 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420398659 296186152 /nfs/dbraw/zinc/18/61/52/296186152.db2.gz NNEIKXXDMMIHIG-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420398659 296186154 /nfs/dbraw/zinc/18/61/54/296186154.db2.gz NNEIKXXDMMIHIG-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407410 296187200 /nfs/dbraw/zinc/18/72/00/296187200.db2.gz VFPCABPDWMQDLC-ZWKOTPCHSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)CN(CC(C)C)C(=O)C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420407410 296187201 /nfs/dbraw/zinc/18/72/01/296187201.db2.gz VFPCABPDWMQDLC-ZWKOTPCHSA-N 2 1 323.525 2.591 20 0 DFADMP CC(C)[C@@H](C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCCCC1 ZINC000342501612 284346138 /nfs/dbraw/zinc/34/61/38/284346138.db2.gz WFUPPGZIBYAXPF-WFFDWFOESA-N 2 1 321.509 2.581 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000282780283 217246611 /nfs/dbraw/zinc/24/66/11/217246611.db2.gz XQBLFPBCLCRNNZ-UHFFFAOYSA-N 2 1 309.417 2.690 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000373013123 284352133 /nfs/dbraw/zinc/35/21/33/284352133.db2.gz HQSVBMCDQKYUMT-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000373013123 284352136 /nfs/dbraw/zinc/35/21/36/284352136.db2.gz HQSVBMCDQKYUMT-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000373013123 284352140 /nfs/dbraw/zinc/35/21/40/284352140.db2.gz HQSVBMCDQKYUMT-AEFFLSMTSA-N 2 1 321.509 2.584 20 0 DFADMP C(=C/c1ccncc1)\C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000486991656 299436890 /nfs/dbraw/zinc/43/68/90/299436890.db2.gz XHDCPLGRCOKIGT-ONEGZZNKSA-N 2 1 323.440 2.717 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N(C)C[C@H]1CCC[N@H+]1C ZINC000420631235 296194353 /nfs/dbraw/zinc/19/43/53/296194353.db2.gz GLJLFTGWBYHUNA-GFCCVEGCSA-N 2 1 303.381 2.913 20 0 DFADMP CC[C@@H]1C[N@@H+](C)CCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000614329726 399208587 /nfs/dbraw/zinc/20/85/87/399208587.db2.gz GTXXPZNQTBZSLX-MRXNPFEDSA-N 2 1 309.498 2.584 20 0 DFADMP CC[C@H]1C[N@@H+](C)CCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000614336611 399212005 /nfs/dbraw/zinc/21/20/05/399212005.db2.gz ZQHZCRDEMGWPCF-HNNXBMFYSA-N 2 1 321.465 2.678 20 0 DFADMP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000063917661 399213139 /nfs/dbraw/zinc/21/31/39/399213139.db2.gz NWNNIPNMLJAVRR-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000063917661 399213141 /nfs/dbraw/zinc/21/31/41/399213141.db2.gz NWNNIPNMLJAVRR-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282985518 217371048 /nfs/dbraw/zinc/37/10/48/217371048.db2.gz FAYHNGQEHYJLQL-NEWSRXKRSA-N 2 1 315.505 2.794 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000420916695 296211708 /nfs/dbraw/zinc/21/17/08/296211708.db2.gz PAZHAAVVRNVFSQ-GDAAHCPNSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000420916695 296211710 /nfs/dbraw/zinc/21/17/10/296211710.db2.gz PAZHAAVVRNVFSQ-GDAAHCPNSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000420916695 296211712 /nfs/dbraw/zinc/21/17/12/296211712.db2.gz PAZHAAVVRNVFSQ-GDAAHCPNSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000420916695 296211713 /nfs/dbraw/zinc/21/17/13/296211713.db2.gz PAZHAAVVRNVFSQ-GDAAHCPNSA-N 2 1 302.462 2.742 20 0 DFADMP CO[C@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000420960424 296218181 /nfs/dbraw/zinc/21/81/81/296218181.db2.gz HSGRTYYVPFFUGJ-LPHOPBHVSA-N 2 1 318.461 2.518 20 0 DFADMP CO[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)[C@@H](C)C1 ZINC000420960424 296218182 /nfs/dbraw/zinc/21/81/82/296218182.db2.gz HSGRTYYVPFFUGJ-LPHOPBHVSA-N 2 1 318.461 2.518 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@H](C3CCCC3)C2)CC1 ZINC000420960573 296218232 /nfs/dbraw/zinc/21/82/32/296218232.db2.gz GVBAMZMQVNHLNB-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000622365541 399249943 /nfs/dbraw/zinc/24/99/43/399249943.db2.gz YCAZPESGWHNIGB-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC000622365541 399249946 /nfs/dbraw/zinc/24/99/46/399249946.db2.gz YCAZPESGWHNIGB-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1ccncc1[C@@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000344000194 284555847 /nfs/dbraw/zinc/55/58/47/284555847.db2.gz WFVGDDYCWDIOLY-OAHLLOKOSA-N 2 1 314.433 2.576 20 0 DFADMP C[N@@H+](CCC1OCCCO1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000267920874 206338595 /nfs/dbraw/zinc/33/85/95/206338595.db2.gz IYOJCNMATAQNND-GOSISDBHSA-N 2 1 318.461 2.593 20 0 DFADMP C[NH+](CCC1OCCCO1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000267920874 206338599 /nfs/dbraw/zinc/33/85/99/206338599.db2.gz IYOJCNMATAQNND-GOSISDBHSA-N 2 1 318.461 2.593 20 0 DFADMP C[NH+](CCC1OCCCO1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000267920874 206338604 /nfs/dbraw/zinc/33/86/04/206338604.db2.gz IYOJCNMATAQNND-GOSISDBHSA-N 2 1 318.461 2.593 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3CCc4ccccc43)C2)CC1 ZINC000614962608 399285973 /nfs/dbraw/zinc/28/59/73/399285973.db2.gz LQOGOWROLSRVHM-UYAOXDASSA-N 2 1 313.489 2.774 20 0 DFADMP CC(C)C[C@H]1CC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000608746454 399292422 /nfs/dbraw/zinc/29/24/22/399292422.db2.gz XCKZJSXRCWBLCW-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@H]1CC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000608746454 399292425 /nfs/dbraw/zinc/29/24/25/399292425.db2.gz XCKZJSXRCWBLCW-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@H]1CC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000608746454 399292428 /nfs/dbraw/zinc/29/24/28/399292428.db2.gz XCKZJSXRCWBLCW-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C[C@H]1CC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000608746454 399292429 /nfs/dbraw/zinc/29/24/29/399292429.db2.gz XCKZJSXRCWBLCW-MOPGFXCFSA-N 2 1 304.478 2.847 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)o1 ZINC000609260105 399310980 /nfs/dbraw/zinc/31/09/80/399310980.db2.gz AJNASNKRRBNPSQ-OCCSQVGLSA-N 2 1 317.389 2.969 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)o1 ZINC000609260105 399310982 /nfs/dbraw/zinc/31/09/82/399310982.db2.gz AJNASNKRRBNPSQ-OCCSQVGLSA-N 2 1 317.389 2.969 20 0 DFADMP COc1ccc(C[NH2+]CCc2c[nH+]cn2C)cc1OCC(C)C ZINC000623086987 399324525 /nfs/dbraw/zinc/32/45/25/399324525.db2.gz WMOHCSRRJFQWQS-UHFFFAOYSA-N 2 1 317.433 2.796 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000610250351 399350981 /nfs/dbraw/zinc/35/09/81/399350981.db2.gz VGNUGBNDCCQLNM-INIZCTEOSA-N 2 1 323.431 2.565 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000610250351 399350983 /nfs/dbraw/zinc/35/09/83/399350983.db2.gz VGNUGBNDCCQLNM-INIZCTEOSA-N 2 1 323.431 2.565 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1 ZINC000105443323 194104964 /nfs/dbraw/zinc/10/49/64/194104964.db2.gz KCLIOHZICAWLOD-CYBMUJFWSA-N 2 1 300.406 2.576 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1 ZINC000623336030 399365573 /nfs/dbraw/zinc/36/55/73/399365573.db2.gz RGROPLDXIMPBSH-IAGOWNOFSA-N 2 1 307.457 2.891 20 0 DFADMP C[N@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623338311 399365775 /nfs/dbraw/zinc/36/57/75/399365775.db2.gz UVTRMUKKKLVGQE-QZTJIDSGSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)CC1(C)C ZINC000623338311 399365783 /nfs/dbraw/zinc/36/57/83/399365783.db2.gz UVTRMUKKKLVGQE-QZTJIDSGSA-N 2 1 301.478 2.723 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623342846 399367260 /nfs/dbraw/zinc/36/72/60/399367260.db2.gz REQMOAFNXFFLNM-OAHLLOKOSA-N 3 1 300.450 2.807 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CCN(C)C(C)(C)C1 ZINC000623342846 399367264 /nfs/dbraw/zinc/36/72/64/399367264.db2.gz REQMOAFNXFFLNM-OAHLLOKOSA-N 3 1 300.450 2.807 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2ccccc21 ZINC000623347514 399367697 /nfs/dbraw/zinc/36/76/97/399367697.db2.gz CMHIFSIACOYSMF-DOTOQJQBSA-N 2 1 301.478 2.900 20 0 DFADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000422012225 296290669 /nfs/dbraw/zinc/29/06/69/296290669.db2.gz VRVZWHRQQOWRPO-HTWSVDAQSA-N 2 1 321.509 2.773 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623342845 399367017 /nfs/dbraw/zinc/36/70/17/399367017.db2.gz REQMOAFNXFFLNM-HNNXBMFYSA-N 3 1 300.450 2.807 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@H]1CCN(C)C(C)(C)C1 ZINC000623342845 399367019 /nfs/dbraw/zinc/36/70/19/399367019.db2.gz REQMOAFNXFFLNM-HNNXBMFYSA-N 3 1 300.450 2.807 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)CC1(C)C ZINC000623351624 399369588 /nfs/dbraw/zinc/36/95/88/399369588.db2.gz YGCSGDGJWIVXIR-SFHVURJKSA-N 3 1 312.461 2.894 20 0 DFADMP C[N@H+]1CC[C@H](NCc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000623354963 399370100 /nfs/dbraw/zinc/37/01/00/399370100.db2.gz QPWGMROALOSMSD-INIZCTEOSA-N 2 1 302.466 2.644 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000623354963 399370106 /nfs/dbraw/zinc/37/01/06/399370106.db2.gz QPWGMROALOSMSD-INIZCTEOSA-N 2 1 302.466 2.644 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623364084 399373099 /nfs/dbraw/zinc/37/30/99/399373099.db2.gz SDRJRCSHMDLCMS-INIZCTEOSA-N 2 1 304.482 2.890 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623364084 399373103 /nfs/dbraw/zinc/37/31/03/399373103.db2.gz SDRJRCSHMDLCMS-INIZCTEOSA-N 2 1 304.482 2.890 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623373277 399375085 /nfs/dbraw/zinc/37/50/85/399375085.db2.gz ZMMNOPIEDIMXFC-ZDUSSCGKSA-N 2 1 311.420 2.852 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623373277 399375087 /nfs/dbraw/zinc/37/50/87/399375087.db2.gz ZMMNOPIEDIMXFC-ZDUSSCGKSA-N 2 1 311.420 2.852 20 0 DFADMP C/C=C(/C=C\C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC ZINC000492110498 299514306 /nfs/dbraw/zinc/51/43/06/299514306.db2.gz KLAZOBWQZHCUIR-QGDXSJHOSA-N 2 1 314.433 2.684 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC1CC1 ZINC000623430137 399387988 /nfs/dbraw/zinc/38/79/88/399387988.db2.gz CMRVDANGWPIBFH-DZGCQCFKSA-N 2 1 304.434 2.809 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC1CC1 ZINC000623430137 399387992 /nfs/dbraw/zinc/38/79/92/399387992.db2.gz CMRVDANGWPIBFH-DZGCQCFKSA-N 2 1 304.434 2.809 20 0 DFADMP CC(C)(CC[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000422551597 296311795 /nfs/dbraw/zinc/31/17/95/296311795.db2.gz FHAASIVBWCMEHY-UHFFFAOYSA-N 2 1 319.430 2.756 20 0 DFADMP CC[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268838671 207002579 /nfs/dbraw/zinc/00/25/79/207002579.db2.gz TVAOMCXPVYFVCF-CVEARBPZSA-N 2 1 317.477 2.598 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](C)C[C@@H]3C)cnc21 ZINC000422559673 296312438 /nfs/dbraw/zinc/31/24/38/296312438.db2.gz DTBAFCKCCAQPMY-JKIFEVAISA-N 2 1 315.465 2.817 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3c2OCCCO3)C[C@H]1C[NH3+] ZINC000422561480 296312587 /nfs/dbraw/zinc/31/25/87/296312587.db2.gz LKCTUYKAZJUYGN-IIAWOOMASA-N 2 1 304.434 2.653 20 0 DFADMP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000268846061 207013841 /nfs/dbraw/zinc/01/38/41/207013841.db2.gz VMDNQFGAJQVEQA-QFBILLFUSA-N 2 1 320.477 2.812 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000268858024 207025735 /nfs/dbraw/zinc/02/57/35/207025735.db2.gz ZUOZGHQCXUTSKA-CYBMUJFWSA-N 2 1 301.390 2.704 20 0 DFADMP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268862920 207030567 /nfs/dbraw/zinc/03/05/67/207030567.db2.gz SNCJKWCDBFBRRT-AUUYWEPGSA-N 2 1 320.452 2.886 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268878896 207048110 /nfs/dbraw/zinc/04/81/10/207048110.db2.gz LFQQNXCCWACPSN-RBUKOAKNSA-N 2 1 320.452 2.726 20 0 DFADMP CCCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000268879648 207048653 /nfs/dbraw/zinc/04/86/53/207048653.db2.gz XJSLDZPYRRCMAX-WBVHZDCISA-N 2 1 306.450 2.583 20 0 DFADMP FC(F)(F)c1ccc(OCC[NH+]2CCC3(CC[NH2+]3)CC2)cc1 ZINC000422631473 296317020 /nfs/dbraw/zinc/31/70/20/296317020.db2.gz FPBYWOAWKDLIBH-UHFFFAOYSA-N 2 1 314.351 2.912 20 0 DFADMP CC[C@@H]([NH2+]C1CCN(Cc2ccncc2)CC1)[C@H]1CCCC[NH2+]1 ZINC000422687313 296317927 /nfs/dbraw/zinc/31/79/27/296317927.db2.gz BLSUVIORONYOGH-RTBURBONSA-N 2 1 316.493 2.556 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OC(F)F ZINC000422689195 296318002 /nfs/dbraw/zinc/31/80/02/296318002.db2.gz DWQJOUAHIFKLBQ-RYUDHWBXSA-N 2 1 300.349 2.656 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCSCCCO)CC[N@@H+]1Cc1ccccc1 ZINC000268930026 207094814 /nfs/dbraw/zinc/09/48/14/207094814.db2.gz ZDSDROSUPKUHPI-FUHWJXTLSA-N 2 1 322.518 2.745 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCSCCCO)CC[N@H+]1Cc1ccccc1 ZINC000268930026 207094817 /nfs/dbraw/zinc/09/48/17/207094817.db2.gz ZDSDROSUPKUHPI-FUHWJXTLSA-N 2 1 322.518 2.745 20 0 DFADMP CC(C)(CN[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422705520 296318885 /nfs/dbraw/zinc/31/88/85/296318885.db2.gz RTZIQLXVFQURII-GOSISDBHSA-N 2 1 301.478 2.555 20 0 DFADMP CC(C)(CN[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422705520 296318886 /nfs/dbraw/zinc/31/88/86/296318886.db2.gz RTZIQLXVFQURII-GOSISDBHSA-N 2 1 301.478 2.555 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1c[nH+]ccc1N ZINC000422705917 296318945 /nfs/dbraw/zinc/31/89/45/296318945.db2.gz DALJQRSKXQFBAY-SJCJKPOMSA-N 2 1 302.397 2.587 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1ccc(F)cc1)N(C)C)c1c[nH+]ccc1N ZINC000422705916 296319142 /nfs/dbraw/zinc/31/91/42/296319142.db2.gz DALJQRSKXQFBAY-PXAZEXFGSA-N 2 1 302.397 2.587 20 0 DFADMP C[C@@H](NCc1ccccc1C[NH+]1CCCCCC1)C1C[NH2+]C1 ZINC000422711596 296320337 /nfs/dbraw/zinc/32/03/37/296320337.db2.gz NJSFGRZGTMENSN-MRXNPFEDSA-N 2 1 301.478 2.760 20 0 DFADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422718525 296321015 /nfs/dbraw/zinc/32/10/15/296321015.db2.gz PVYBKZBSOJFJDD-OALUTQOASA-N 3 1 319.493 2.767 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714454 296320687 /nfs/dbraw/zinc/32/06/87/296320687.db2.gz RARAVYOFGVOOBV-INDMIFKZSA-N 2 1 319.468 2.939 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000422717944 296320842 /nfs/dbraw/zinc/32/08/42/296320842.db2.gz KXEOOUDECDEVKI-KBPBESRZSA-N 2 1 324.350 2.861 20 0 DFADMP C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724108 296321716 /nfs/dbraw/zinc/32/17/16/296321716.db2.gz ULLVTVUZDQNKPM-KSSFIOAISA-N 2 1 305.441 2.520 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1(C)C ZINC000623559581 399415662 /nfs/dbraw/zinc/41/56/62/399415662.db2.gz GWLCTPMFIWXKEG-ZACQAIPSSA-N 2 1 303.450 2.764 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(O)CC2)cc1F ZINC000285935637 218703841 /nfs/dbraw/zinc/70/38/41/218703841.db2.gz FMDBJFQVVMIPQJ-UHFFFAOYSA-N 2 1 303.381 2.713 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000268984156 207142855 /nfs/dbraw/zinc/14/28/55/207142855.db2.gz LCAUULHMPKMAFW-GBESFXJTSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO)C1CC1 ZINC000268984156 207142858 /nfs/dbraw/zinc/14/28/58/207142858.db2.gz LCAUULHMPKMAFW-GBESFXJTSA-N 2 1 302.462 2.648 20 0 DFADMP COc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1OC ZINC000422732215 296323016 /nfs/dbraw/zinc/32/30/16/296323016.db2.gz NMSLOZFLTHCMLK-WMLDXEAASA-N 2 1 314.429 2.752 20 0 DFADMP CCOC(=O)CC[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000611036223 399430173 /nfs/dbraw/zinc/43/01/73/399430173.db2.gz FIFILSUULAGNGS-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CC[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000611036223 399430177 /nfs/dbraw/zinc/43/01/77/399430177.db2.gz FIFILSUULAGNGS-IRXDYDNUSA-N 2 1 310.482 2.916 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[NH+]1C ZINC000623634525 399432671 /nfs/dbraw/zinc/43/26/71/399432671.db2.gz IRLNIVXSXYIVLD-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[N@@H+]1C ZINC000623634525 399432672 /nfs/dbraw/zinc/43/26/72/399432672.db2.gz IRLNIVXSXYIVLD-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[N@H+]1C ZINC000623634525 399432675 /nfs/dbraw/zinc/43/26/75/399432675.db2.gz IRLNIVXSXYIVLD-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP CN1CCC[C@@H]1C[NH2+]CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000623634525 399432677 /nfs/dbraw/zinc/43/26/77/399432677.db2.gz IRLNIVXSXYIVLD-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP CN1CCC[C@@H]1C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000623634525 399432679 /nfs/dbraw/zinc/43/26/79/399432679.db2.gz IRLNIVXSXYIVLD-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000623654978 399435746 /nfs/dbraw/zinc/43/57/46/399435746.db2.gz LMHJHVLLDAOGSJ-CYBMUJFWSA-N 2 1 324.852 2.933 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000623654978 399435747 /nfs/dbraw/zinc/43/57/47/399435747.db2.gz LMHJHVLLDAOGSJ-CYBMUJFWSA-N 2 1 324.852 2.933 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000623655820 399436265 /nfs/dbraw/zinc/43/62/65/399436265.db2.gz GJEQFDSPKCMUBI-ZDUSSCGKSA-N 2 1 306.841 2.809 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000623655820 399436266 /nfs/dbraw/zinc/43/62/66/399436266.db2.gz GJEQFDSPKCMUBI-ZDUSSCGKSA-N 2 1 306.841 2.809 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)c(C)nc2s1 ZINC000623655744 399436551 /nfs/dbraw/zinc/43/65/51/399436551.db2.gz DMGUOFMGZYUVIC-CQSZACIVSA-N 2 1 306.479 2.834 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)c(C)nc2s1 ZINC000623655744 399436553 /nfs/dbraw/zinc/43/65/53/399436553.db2.gz DMGUOFMGZYUVIC-CQSZACIVSA-N 2 1 306.479 2.834 20 0 DFADMP COCCOCc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623657041 399436631 /nfs/dbraw/zinc/43/66/31/399436631.db2.gz IPAOXGGDWNGPRL-IBGZPJMESA-N 2 1 320.477 2.671 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000623657004 399436912 /nfs/dbraw/zinc/43/69/12/399436912.db2.gz HPDLHYBJGGKQIA-AWEZNQCLSA-N 2 1 321.431 2.725 20 0 DFADMP COCCCOc1cccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000623656172 399437120 /nfs/dbraw/zinc/43/71/20/399437120.db2.gz OOCGMNQGXQDIAZ-SFHVURJKSA-N 2 1 320.477 2.923 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000623656996 399437373 /nfs/dbraw/zinc/43/73/73/399437373.db2.gz HJJWGULISIOBRX-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)CC2 ZINC000623657689 399438232 /nfs/dbraw/zinc/43/82/32/399438232.db2.gz WPCHTLDFWBTIOH-YJBOKZPZSA-N 2 1 302.462 2.874 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000269050462 207200078 /nfs/dbraw/zinc/20/00/78/207200078.db2.gz VWVGRGFMGWWZPX-HKUYNNGSSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[NH+](C)C ZINC000269050462 207200079 /nfs/dbraw/zinc/20/00/79/207200079.db2.gz VWVGRGFMGWWZPX-HKUYNNGSSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000269054754 207202867 /nfs/dbraw/zinc/20/28/67/207202867.db2.gz WKVPEMWPEBAHNG-PKOBYXMFSA-N 3 1 303.494 2.971 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000269054754 207202870 /nfs/dbraw/zinc/20/28/70/207202870.db2.gz WKVPEMWPEBAHNG-PKOBYXMFSA-N 3 1 303.494 2.971 20 0 DFADMP C[C@@H](O)C[C@H](C)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000269067518 207216197 /nfs/dbraw/zinc/21/61/97/207216197.db2.gz WCJGTJGHHXVAFP-JKSUJKDBSA-N 2 1 322.468 2.829 20 0 DFADMP C[C@H]1C[C@@H](NCc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623777329 399463970 /nfs/dbraw/zinc/46/39/70/399463970.db2.gz AJAYLWJATLJDRQ-YJBOKZPZSA-N 2 1 311.429 2.930 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623777329 399463981 /nfs/dbraw/zinc/46/39/81/399463981.db2.gz AJAYLWJATLJDRQ-YJBOKZPZSA-N 2 1 311.429 2.930 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129716 207262589 /nfs/dbraw/zinc/26/25/89/207262589.db2.gz IUIZWJAEZCFJTC-HKUYNNGSSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129716 207262593 /nfs/dbraw/zinc/26/25/93/207262593.db2.gz IUIZWJAEZCFJTC-HKUYNNGSSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129716 207262597 /nfs/dbraw/zinc/26/25/97/207262597.db2.gz IUIZWJAEZCFJTC-HKUYNNGSSA-N 2 1 302.462 2.843 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@@H](O)c2ccccc2)CC1 ZINC000269138758 207270424 /nfs/dbraw/zinc/27/04/24/207270424.db2.gz YQOYSQAYSABZDX-OALUTQOASA-N 2 1 302.462 2.916 20 0 DFADMP C[C@@H]1C[C@@H](NCc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623777328 399464231 /nfs/dbraw/zinc/46/42/31/399464231.db2.gz AJAYLWJATLJDRQ-QAPCUYQASA-N 2 1 311.429 2.930 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc[nH]c2=O)CC[N@H+]1Cc1ccccc1 ZINC000623777328 399464238 /nfs/dbraw/zinc/46/42/38/399464238.db2.gz AJAYLWJATLJDRQ-QAPCUYQASA-N 2 1 311.429 2.930 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000602518815 399466671 /nfs/dbraw/zinc/46/66/71/399466671.db2.gz TYWFJORLJFVKDJ-ZDUSSCGKSA-N 2 1 310.463 2.746 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH3+])cc1 ZINC000269168410 207291835 /nfs/dbraw/zinc/29/18/35/207291835.db2.gz DPRHTZKUQHNTIN-GOSISDBHSA-N 2 1 317.477 2.872 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]C)cc1 ZINC000269190307 207311442 /nfs/dbraw/zinc/31/14/42/207311442.db2.gz KRAOAXGBKXMWGQ-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCCC[NH+]1CCCCCC1)c1ccccc1 ZINC000066041970 184385340 /nfs/dbraw/zinc/38/53/40/184385340.db2.gz KGFQMMLBZKIMQR-GOSISDBHSA-N 2 1 317.477 2.672 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccc(F)c1)N(C)C)c1c[nH+]ccc1N ZINC000422736690 296323861 /nfs/dbraw/zinc/32/38/61/296323861.db2.gz WGOGAABVBBWZHV-SJCJKPOMSA-N 2 1 302.397 2.587 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)[nH]1 ZINC000602543507 399471436 /nfs/dbraw/zinc/47/14/36/399471436.db2.gz BYPVIBCJZXXECF-HNNXBMFYSA-N 2 1 309.454 2.647 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000422743265 296324896 /nfs/dbraw/zinc/32/48/96/296324896.db2.gz RFESQBVCXDLTJO-HOCLYGCPSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000422743265 296324897 /nfs/dbraw/zinc/32/48/97/296324897.db2.gz RFESQBVCXDLTJO-HOCLYGCPSA-N 3 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000422743265 296324898 /nfs/dbraw/zinc/32/48/98/296324898.db2.gz RFESQBVCXDLTJO-HOCLYGCPSA-N 3 1 304.482 2.620 20 0 DFADMP COC[C@@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000422745902 296325163 /nfs/dbraw/zinc/32/51/63/296325163.db2.gz NAIQFPOZFJXARL-VQIMIIECSA-N 3 1 319.493 2.556 20 0 DFADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]3[NH3+])c2)CC1 ZINC000422740114 296324554 /nfs/dbraw/zinc/32/45/54/296324554.db2.gz MIOZGWMBKJHPEN-RBUKOAKNSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2)C1 ZINC000269226869 207348641 /nfs/dbraw/zinc/34/86/41/207348641.db2.gz FGKBMJVVZRGPLT-DNVCBOLYSA-N 2 1 315.461 2.857 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000269230838 207352971 /nfs/dbraw/zinc/35/29/71/207352971.db2.gz IDFVLCRHLZIRFE-WMLDXEAASA-N 2 1 303.450 2.840 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422744898 296325290 /nfs/dbraw/zinc/32/52/90/296325290.db2.gz UIQCLGVMDFLKMK-AABGKKOBSA-N 2 1 310.441 2.673 20 0 DFADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1C1CCC1 ZINC000623842444 399477429 /nfs/dbraw/zinc/47/74/29/399477429.db2.gz NXTOPUTUYFHFBW-GOSISDBHSA-N 2 1 319.493 2.527 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NCCC[N@H+]1CCCC[C@H]1C ZINC000422756839 296327602 /nfs/dbraw/zinc/32/76/02/296327602.db2.gz CMGAEQGCBIRUQN-CABCVRRESA-N 2 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCC[C@H]1C ZINC000422756839 296327603 /nfs/dbraw/zinc/32/76/03/296327603.db2.gz CMGAEQGCBIRUQN-CABCVRRESA-N 3 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[N@H+]1CCCC[C@H]1C ZINC000422756839 296327605 /nfs/dbraw/zinc/32/76/05/296327605.db2.gz CMGAEQGCBIRUQN-CABCVRRESA-N 3 1 304.482 2.764 20 0 DFADMP CCOc1ccc(CC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)cc1OCC ZINC000422757553 296327865 /nfs/dbraw/zinc/32/78/65/296327865.db2.gz JQJFVCWCYJIWOX-GOEBONIOSA-N 2 1 306.450 2.614 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)[nH]c1C ZINC000602575267 399480304 /nfs/dbraw/zinc/48/03/04/399480304.db2.gz QUSLDIXYIWOBEF-OAHLLOKOSA-N 2 1 321.465 2.567 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[nH]c1C ZINC000602575267 399480307 /nfs/dbraw/zinc/48/03/07/399480307.db2.gz QUSLDIXYIWOBEF-OAHLLOKOSA-N 2 1 321.465 2.567 20 0 DFADMP CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422761535 296328465 /nfs/dbraw/zinc/32/84/65/296328465.db2.gz MVQDVGBLZMHTKV-QYZOEREBSA-N 2 1 301.478 2.771 20 0 DFADMP COc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422767148 296329692 /nfs/dbraw/zinc/32/96/92/296329692.db2.gz YEOXJIRJTLCSJO-UHOSZYNNSA-N 2 1 317.477 2.549 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(N(C)C)CCCCC1 ZINC000422766899 296329732 /nfs/dbraw/zinc/32/97/32/296329732.db2.gz XWMXSWWYHJHNGN-AWEZNQCLSA-N 2 1 304.482 2.764 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCCO3)CC2)nc(C)[nH+]1 ZINC000623902758 399490557 /nfs/dbraw/zinc/49/05/57/399490557.db2.gz PFDIXBYPQUAMAT-YOEHRIQHSA-N 2 1 318.465 2.609 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000422790132 296333169 /nfs/dbraw/zinc/33/31/69/296333169.db2.gz PBAFUZIIVPXNTJ-DNVCBOLYSA-N 2 1 312.461 2.802 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C[NH+](C)C)c1ccccc1 ZINC000422790133 296333357 /nfs/dbraw/zinc/33/33/57/296333357.db2.gz PBAFUZIIVPXNTJ-HNAYVOBHSA-N 2 1 312.461 2.802 20 0 DFADMP CCN(CC)[C@@H](C[NH2+][C@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794832 296334009 /nfs/dbraw/zinc/33/40/09/296334009.db2.gz GYVQVPZKBZWIDT-HKUYNNGSSA-N 2 1 319.493 2.810 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000269246655 207383026 /nfs/dbraw/zinc/38/30/26/207383026.db2.gz VBGZLLWFJHBSHL-CRAIPNDOSA-N 2 1 317.477 2.518 20 0 DFADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000269254290 207395299 /nfs/dbraw/zinc/39/52/99/207395299.db2.gz JCJPXJZGMJOZTD-HOTGVXAUSA-N 2 1 323.868 2.548 20 0 DFADMP CC[C@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000269254290 207395307 /nfs/dbraw/zinc/39/53/07/207395307.db2.gz JCJPXJZGMJOZTD-HOTGVXAUSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000422814511 296337850 /nfs/dbraw/zinc/33/78/50/296337850.db2.gz VFZBGHGTTVAEEM-MWDXBVQZSA-N 2 1 319.493 2.511 20 0 DFADMP Clc1ccc2nc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000422816009 296338314 /nfs/dbraw/zinc/33/83/14/296338314.db2.gz CWWHLFYWEINJCK-BZUAXINKSA-N 2 1 318.852 2.998 20 0 DFADMP CC(C)(C)C1CCC(C[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000631845506 399506445 /nfs/dbraw/zinc/50/64/45/399506445.db2.gz DAYXJOHTFFBQRU-DQPZFDDXSA-N 2 1 319.497 2.836 20 0 DFADMP CC[C@@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422820899 296339458 /nfs/dbraw/zinc/33/94/58/296339458.db2.gz SVKCMCRPSIUDTK-MSOLQXFVSA-N 2 1 307.457 2.768 20 0 DFADMP COC[C@H](CCC[NH3+])[NH2+][C@H](c1nccs1)c1ccccc1 ZINC000422829622 296340712 /nfs/dbraw/zinc/34/07/12/296340712.db2.gz QAPUSRGTHCNJEN-GJZGRUSLSA-N 2 1 305.447 2.576 20 0 DFADMP C[C@@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422831131 296340992 /nfs/dbraw/zinc/34/09/92/296340992.db2.gz WHXKTNCGLXDCER-ZBFHGGJFSA-N 2 1 318.461 2.856 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@H]1CCCC[NH2+]1 ZINC000422831128 296341031 /nfs/dbraw/zinc/34/10/31/296341031.db2.gz WHXKTNCGLXDCER-GOEBONIOSA-N 2 1 318.461 2.856 20 0 DFADMP C[NH2+]C1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000347011242 285001325 /nfs/dbraw/zinc/00/13/25/285001325.db2.gz UIYFZVPZFVDSPT-UHFFFAOYSA-N 2 1 303.494 2.828 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H](C)c2c[nH+]ccc2N)CC1 ZINC000422830840 296341077 /nfs/dbraw/zinc/34/10/77/296341077.db2.gz DEFJOLYONUZQPR-HNNXBMFYSA-N 3 1 304.482 2.903 20 0 DFADMP C[C@H](c1ccc(F)c(Cl)c1)[N@@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845823 399507939 /nfs/dbraw/zinc/50/79/39/399507939.db2.gz LRIJWCWAXFTQKQ-ZWNOBZJWSA-N 2 1 323.803 2.537 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830741 296341161 /nfs/dbraw/zinc/34/11/61/296341161.db2.gz RQCUNFISHOJWNG-YOEHRIQHSA-N 3 1 307.507 2.548 20 0 DFADMP C[C@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631845823 399507944 /nfs/dbraw/zinc/50/79/44/399507944.db2.gz LRIJWCWAXFTQKQ-ZWNOBZJWSA-N 2 1 323.803 2.537 20 0 DFADMP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)cn1 ZINC000422826817 296340349 /nfs/dbraw/zinc/34/03/49/296340349.db2.gz CQTSZEOOWJRCSZ-ZWKOTPCHSA-N 2 1 310.445 2.731 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841264 296342833 /nfs/dbraw/zinc/34/28/33/296342833.db2.gz VLGDPXXIHVDXCT-HRCADAONSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841264 296342835 /nfs/dbraw/zinc/34/28/35/296342835.db2.gz VLGDPXXIHVDXCT-HRCADAONSA-N 2 1 307.507 2.548 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841264 296342836 /nfs/dbraw/zinc/34/28/36/296342836.db2.gz VLGDPXXIHVDXCT-HRCADAONSA-N 3 1 307.507 2.548 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CC[NH2+]C1 ZINC000422841264 296342837 /nfs/dbraw/zinc/34/28/37/296342837.db2.gz VLGDPXXIHVDXCT-HRCADAONSA-N 3 1 307.507 2.548 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)cc1OCC ZINC000347069988 285011577 /nfs/dbraw/zinc/01/15/77/285011577.db2.gz PCBJRQWMEZNUDL-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)cc1OCC ZINC000347069988 285011580 /nfs/dbraw/zinc/01/15/80/285011580.db2.gz PCBJRQWMEZNUDL-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422853431 296345375 /nfs/dbraw/zinc/34/53/75/296345375.db2.gz BTTGEPYYHFLQAN-HZPDHXFCSA-N 3 1 301.478 2.759 20 0 DFADMP C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422853431 296345376 /nfs/dbraw/zinc/34/53/76/296345376.db2.gz BTTGEPYYHFLQAN-HZPDHXFCSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000422853431 296345379 /nfs/dbraw/zinc/34/53/79/296345379.db2.gz BTTGEPYYHFLQAN-HZPDHXFCSA-N 2 1 301.478 2.759 20 0 DFADMP COc1cc([C@H](C)[NH2+]C2CC[NH2+]CC2)ccc1OC(F)F ZINC000422856079 296345635 /nfs/dbraw/zinc/34/56/35/296345635.db2.gz FOHCDFBXEUDZAK-JTQLQIEISA-N 2 1 300.349 2.699 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000422863414 296346880 /nfs/dbraw/zinc/34/68/80/296346880.db2.gz OYWPOHRBZRQUFD-KKUMJFAQSA-N 2 1 304.482 2.762 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[N@H+]1CCCC[C@@H]1C ZINC000422863414 296346882 /nfs/dbraw/zinc/34/68/82/296346882.db2.gz OYWPOHRBZRQUFD-KKUMJFAQSA-N 2 1 304.482 2.762 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422865553 296346958 /nfs/dbraw/zinc/34/69/58/296346958.db2.gz YMNFWCDNVMJKJL-WDYCEAGBSA-N 2 1 301.478 2.551 20 0 DFADMP CN(C)c1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422859966 296346212 /nfs/dbraw/zinc/34/62/12/296346212.db2.gz KTOUVDUAEVLFKJ-GVDBMIGSSA-N 2 1 302.466 2.548 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422860043 296346258 /nfs/dbraw/zinc/34/62/58/296346258.db2.gz KYPYJLGANPPQPC-NEWSRXKRSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCN[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422860042 296346272 /nfs/dbraw/zinc/34/62/72/296346272.db2.gz KYPYJLGANPPQPC-BHIYHBOVSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H](N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000422872821 296348139 /nfs/dbraw/zinc/34/81/39/296348139.db2.gz ITQQVDPBRSXMMU-PBWTXFEYSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](C)N(Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000422872821 296348140 /nfs/dbraw/zinc/34/81/40/296348140.db2.gz ITQQVDPBRSXMMU-PBWTXFEYSA-N 2 1 301.478 2.627 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422872981 296348151 /nfs/dbraw/zinc/34/81/51/296348151.db2.gz JJKINCHJXFZFOF-RISCZKNCSA-N 2 1 314.376 2.774 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(N2CCOCC2)c1 ZINC000422867734 296347422 /nfs/dbraw/zinc/34/74/22/296347422.db2.gz SSEHSYCCFSRASU-QZTJIDSGSA-N 2 1 317.477 2.581 20 0 DFADMP CC[N@@H+](CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422874770 296348683 /nfs/dbraw/zinc/34/86/83/296348683.db2.gz BBGCMODYNUBBAU-RBUKOAKNSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633102 296350016 /nfs/dbraw/zinc/35/00/16/296350016.db2.gz UVFHYBGRLHPFGT-AOIWGVFYSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884343 296350218 /nfs/dbraw/zinc/35/02/18/296350218.db2.gz RWBBFLXSMLQZIR-RMJJICAUSA-N 2 1 317.521 2.903 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)[C@H]1CCCC[NH2+]1 ZINC000422879625 296349473 /nfs/dbraw/zinc/34/94/73/296349473.db2.gz VRPUDQXEMKQGRU-IXDOHACOSA-N 2 1 317.477 2.784 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCCC[NH2+]1 ZINC000422879624 296349508 /nfs/dbraw/zinc/34/95/08/296349508.db2.gz VRPUDQXEMKQGRU-IKGGRYGDSA-N 2 1 317.477 2.784 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N[C@@H]1CCC[NH2+]CC1 ZINC000422889958 296351332 /nfs/dbraw/zinc/35/13/32/296351332.db2.gz RAJLCMJUSJJIFX-ZHALLVOQSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CN[C@H]2CC[NH2+]C2)C1 ZINC000422892166 296351600 /nfs/dbraw/zinc/35/16/00/296351600.db2.gz MKLFGQAIBSCAEW-FCEWJHQRSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@H]([NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1)c1c[nH+]ccc1N ZINC000422887713 296350851 /nfs/dbraw/zinc/35/08/51/296350851.db2.gz YZVXWQDCEBHGHZ-OAGGEKHMSA-N 3 1 304.482 2.903 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000422886792 296350927 /nfs/dbraw/zinc/35/09/27/296350927.db2.gz XRWNYNKTBLXXQO-UZLBHIALSA-N 2 1 320.440 2.920 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901412 296353067 /nfs/dbraw/zinc/35/30/67/296353067.db2.gz BZYFBDBVQGFCDI-WDYCEAGBSA-N 2 1 317.477 2.562 20 0 DFADMP CC[C@H](C)N(C)CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422901412 296353068 /nfs/dbraw/zinc/35/30/68/296353068.db2.gz BZYFBDBVQGFCDI-WDYCEAGBSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000422901837 296353161 /nfs/dbraw/zinc/35/31/61/296353161.db2.gz SJMZFJHDMROBKU-KGLIPLIRSA-N 2 1 314.408 2.810 20 0 DFADMP COc1cccc(Oc2ccc(C[NH2+][C@H](C)C3C[NH2+]C3)cn2)c1 ZINC000422894928 296352308 /nfs/dbraw/zinc/35/23/08/296352308.db2.gz DMTDNHQKXZXDEZ-CYBMUJFWSA-N 2 1 313.401 2.580 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@H]1CCC[NH2+]1 ZINC000422905662 296354190 /nfs/dbraw/zinc/35/41/90/296354190.db2.gz IOFHFJZVUDBQKA-SUNYJGFJSA-N 2 1 323.431 2.659 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(Oc2cccnc2)c(F)c1 ZINC000422906062 296354232 /nfs/dbraw/zinc/35/42/32/296354232.db2.gz UCGPYQUICOULPE-HOTGVXAUSA-N 2 1 301.365 2.982 20 0 DFADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422912836 296354803 /nfs/dbraw/zinc/35/48/03/296354803.db2.gz WZMAQTXYZOGNPF-VHDGCEQUSA-N 2 1 323.868 2.657 20 0 DFADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422912730 296354985 /nfs/dbraw/zinc/35/49/85/296354985.db2.gz WZMAQTXYZOGNPF-AEGPPILISA-N 2 1 323.868 2.657 20 0 DFADMP FC(F)(F)COCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422931090 296356781 /nfs/dbraw/zinc/35/67/81/296356781.db2.gz WXZPDLDRMUSRPT-UONOGXRCSA-N 2 1 302.340 2.648 20 0 DFADMP COc1cc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])ccc1OC1CCCC1 ZINC000422937689 296358089 /nfs/dbraw/zinc/35/80/89/296358089.db2.gz JWRWMRPXLGIKFR-HOTGVXAUSA-N 2 1 304.434 2.986 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1SC ZINC000631887238 399519719 /nfs/dbraw/zinc/51/97/19/399519719.db2.gz MOWXWDUALNEHBC-HUUCEWRRSA-N 2 1 306.475 2.991 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)ccc1SC ZINC000631887238 399519724 /nfs/dbraw/zinc/51/97/24/399519724.db2.gz MOWXWDUALNEHBC-HUUCEWRRSA-N 2 1 306.475 2.991 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422947593 296359387 /nfs/dbraw/zinc/35/93/87/296359387.db2.gz YNKRXJZCPKWHMA-UXHICEINSA-N 2 1 315.505 2.801 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)N1CCc2ccccc2C1 ZINC000422947593 296359389 /nfs/dbraw/zinc/35/93/89/296359389.db2.gz YNKRXJZCPKWHMA-UXHICEINSA-N 2 1 315.505 2.801 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887489 399519980 /nfs/dbraw/zinc/51/99/80/399519980.db2.gz SBOIMDVNQYFADT-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP C[C@H]([NH2+]CCc1nc2c(s1)CCCC2)c1c[nH+]ccc1N ZINC000422958387 296361000 /nfs/dbraw/zinc/36/10/00/296361000.db2.gz XMYCULKAOIZPCT-NSHDSACASA-N 2 1 302.447 2.723 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(N[C@@H]3C[NH2+]CC[C@@H]3C)c2)C[C@H](C)O1 ZINC000422953572 296360337 /nfs/dbraw/zinc/36/03/37/296360337.db2.gz FRDBSZJMPRUREQ-YIOZNXECSA-N 2 1 317.477 2.706 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000347518644 285070221 /nfs/dbraw/zinc/07/02/21/285070221.db2.gz IRWYKZXVTUKQFA-HZPDHXFCSA-N 2 1 311.514 2.924 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000347518645 285070241 /nfs/dbraw/zinc/07/02/41/285070241.db2.gz IRWYKZXVTUKQFA-JKSUJKDBSA-N 2 1 311.514 2.924 20 0 DFADMP CSc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])ccn1 ZINC000422986808 296364284 /nfs/dbraw/zinc/36/42/84/296364284.db2.gz HKMBQBWJYDFTMP-BBRMVZONSA-N 2 1 301.459 2.852 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000422996759 296365206 /nfs/dbraw/zinc/36/52/06/296365206.db2.gz UHVQCMDPLMECBD-ZDUSSCGKSA-N 3 1 304.482 2.762 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@@H+](CC(C)C)C1 ZINC000422991257 296364606 /nfs/dbraw/zinc/36/46/06/296364606.db2.gz AQYDNPMOQWSQNV-DOTOQJQBSA-N 2 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000422991257 296364607 /nfs/dbraw/zinc/36/46/07/296364607.db2.gz AQYDNPMOQWSQNV-DOTOQJQBSA-N 2 1 318.509 2.867 20 0 DFADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000422990161 296364689 /nfs/dbraw/zinc/36/46/89/296364689.db2.gz MZEPHHYKLOZTQY-HGNGGELXSA-N 2 1 309.262 2.897 20 0 DFADMP Fc1cccnc1OCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422998045 296365552 /nfs/dbraw/zinc/36/55/52/296365552.db2.gz PIPNOAFIRLUOCL-RDJZCZTQSA-N 2 1 315.392 2.682 20 0 DFADMP CCC1(CN[C@H]2CC[NH2+]C2)CC[NH+](Cc2ccccc2)CC1 ZINC000422999705 296365672 /nfs/dbraw/zinc/36/56/72/296365672.db2.gz FRVIWLPONMVIOW-SFHVURJKSA-N 2 1 301.478 2.630 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CCC[C@H]1[NH3+] ZINC000423009391 296366949 /nfs/dbraw/zinc/36/69/49/296366949.db2.gz VLIDSSYPPVABKL-RTBURBONSA-N 2 1 313.445 2.881 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000602716962 399536673 /nfs/dbraw/zinc/53/66/73/399536673.db2.gz WGHMOVBPXLLIDD-CQSZACIVSA-N 2 1 322.474 2.746 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000602716962 399536675 /nfs/dbraw/zinc/53/66/75/399536675.db2.gz WGHMOVBPXLLIDD-CQSZACIVSA-N 2 1 322.474 2.746 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cnn(Cc2ccccc2)c1 ZINC000423015819 296368235 /nfs/dbraw/zinc/36/82/35/296368235.db2.gz RWQXNQANHXHWDZ-DYJHLDHHSA-N 2 1 310.445 2.865 20 0 DFADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423018064 296368369 /nfs/dbraw/zinc/36/83/69/296368369.db2.gz QAZJBXMDPQLVIU-BZSNNMDCSA-N 2 1 302.462 2.866 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423018344 296368379 /nfs/dbraw/zinc/36/83/79/296368379.db2.gz YOYLKJLXUOWGTK-YQQAZPJKSA-N 2 1 305.441 2.915 20 0 DFADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423021661 296368815 /nfs/dbraw/zinc/36/88/15/296368815.db2.gz FUCQCMDEQRRZNJ-OKYOBFRVSA-N 2 1 318.436 2.950 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C[NH3+])C[C@@H]2C)cc1)C(C)C ZINC000261889905 285098507 /nfs/dbraw/zinc/09/85/07/285098507.db2.gz VGGJSYLFWUPEID-DOTOQJQBSA-N 2 1 317.477 2.726 20 0 DFADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)C[N@@H+](CC)C1CC1 ZINC000152059039 285099011 /nfs/dbraw/zinc/09/90/11/285099011.db2.gz CAKVGTYLZTUBQF-UHFFFAOYSA-N 2 1 317.477 2.581 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000423030873 296370037 /nfs/dbraw/zinc/37/00/37/296370037.db2.gz KBDRUYCQQUKJHD-HUUCEWRRSA-N 3 1 304.482 2.764 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000620622987 399546989 /nfs/dbraw/zinc/54/69/89/399546989.db2.gz CQGAQFLGTBMIOQ-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000620622987 399546995 /nfs/dbraw/zinc/54/69/95/399546995.db2.gz CQGAQFLGTBMIOQ-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000620622987 399547002 /nfs/dbraw/zinc/54/70/02/399547002.db2.gz CQGAQFLGTBMIOQ-INIZCTEOSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000423046380 296371642 /nfs/dbraw/zinc/37/16/42/296371642.db2.gz DLQRVXPFJZKGBR-WBVHZDCISA-N 2 1 300.450 2.626 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)[C@H](C)[NH+](C)Cc1ccccc1 ZINC000620624295 399546463 /nfs/dbraw/zinc/54/64/63/399546463.db2.gz UUGVJPHSGCODEG-INIZCTEOSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000620624295 399546468 /nfs/dbraw/zinc/54/64/68/399546468.db2.gz UUGVJPHSGCODEG-INIZCTEOSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+](C)CC(C)(C)NC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000620624295 399546472 /nfs/dbraw/zinc/54/64/72/399546472.db2.gz UUGVJPHSGCODEG-INIZCTEOSA-N 2 1 319.493 2.744 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000423066571 296374286 /nfs/dbraw/zinc/37/42/86/296374286.db2.gz XDXHBBQNLHIJDC-UXPWSPDFSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](C1CC1)N(C)Cc1ccccc1 ZINC000423066571 296374287 /nfs/dbraw/zinc/37/42/87/296374287.db2.gz XDXHBBQNLHIJDC-UXPWSPDFSA-N 2 1 315.505 2.875 20 0 DFADMP COCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)CCCCC1 ZINC000423063790 296373882 /nfs/dbraw/zinc/37/38/82/296373882.db2.gz PUWRZNMRBSBRGL-KURKYZTESA-N 2 1 324.509 2.720 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H](C)[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423070906 296374887 /nfs/dbraw/zinc/37/48/87/296374887.db2.gz GXMWWHDANFKZRL-OGWHTMIXSA-N 2 1 304.478 2.736 20 0 DFADMP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423079988 296376157 /nfs/dbraw/zinc/37/61/57/296376157.db2.gz ZBGHEZQDXRRMJE-OTWHNJEPSA-N 2 1 317.477 2.755 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423076621 296375585 /nfs/dbraw/zinc/37/55/85/296375585.db2.gz ZMSAYJIYDVOIGX-WNRNVDISSA-N 2 1 316.445 2.565 20 0 DFADMP C[C@@H](NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423089822 296377253 /nfs/dbraw/zinc/37/72/53/296377253.db2.gz WCWHXBCZNOWNRV-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423087381 296376597 /nfs/dbraw/zinc/37/65/97/296376597.db2.gz PJOYJQYLZXEFAC-YSHGAJCASA-N 2 1 318.436 2.950 20 0 DFADMP C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423087230 296376746 /nfs/dbraw/zinc/37/67/46/296376746.db2.gz NKNPCMJLDIXUQT-ZTRSQXPZSA-N 2 1 302.462 2.663 20 0 DFADMP [NH3+]CC1CCC([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000423083736 296376419 /nfs/dbraw/zinc/37/64/19/296376419.db2.gz GOJVOASIMYKOEG-CUYAVPTFSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]CC1CCC([NH2+]C[C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000423083736 296376420 /nfs/dbraw/zinc/37/64/20/296376420.db2.gz GOJVOASIMYKOEG-CUYAVPTFSA-N 2 1 301.478 2.616 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CC[NH2+]2)cc1 ZINC000423083755 296376466 /nfs/dbraw/zinc/37/64/66/296376466.db2.gz GTGIWSHEFGPNGI-ICSRJNTNSA-N 3 1 313.489 2.944 20 0 DFADMP Brc1cccc2c1OCC[C@@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423107253 296379050 /nfs/dbraw/zinc/37/90/50/296379050.db2.gz DZCUMFDZBMUXBO-ZDUSSCGKSA-N 2 1 311.223 2.614 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000624119717 399559323 /nfs/dbraw/zinc/55/93/23/399559323.db2.gz HZKHECUYCYRDQE-CABCVRRESA-N 2 1 304.434 2.840 20 0 DFADMP C[N@H+]1CCCC[C@@H](CN[C@H](c2ccccc2)c2cncnc2)C1 ZINC000624122704 399560615 /nfs/dbraw/zinc/56/06/15/399560615.db2.gz ZAZRCPKRHKSNJQ-QFBILLFUSA-N 2 1 310.445 2.888 20 0 DFADMP CSc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423112431 296379559 /nfs/dbraw/zinc/37/95/59/296379559.db2.gz XPAUGSCUSPKZJK-FVQBIDKESA-N 2 1 324.465 2.794 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423112935 296380014 /nfs/dbraw/zinc/38/00/14/296380014.db2.gz SVQCTXDVZOTIMN-GBESFXJTSA-N 2 1 301.478 2.944 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@H](C)[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423131882 296382344 /nfs/dbraw/zinc/38/23/44/296382344.db2.gz TVOFSMKCJRLXRM-SUMDDJOVSA-N 2 1 319.493 2.664 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423133812 296382538 /nfs/dbraw/zinc/38/25/38/296382538.db2.gz DAIXYOSJIKUYPC-UONOGXRCSA-N 2 1 314.408 2.810 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)c1ccco1 ZINC000120277314 195133926 /nfs/dbraw/zinc/13/39/26/195133926.db2.gz AAEGHVCPKCWXTK-XHSDSOJGSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000423144114 296384405 /nfs/dbraw/zinc/38/44/05/296384405.db2.gz YMPRAINJXRLYFG-LSDHHAIUSA-N 2 1 304.482 2.699 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c2ccccc2O1 ZINC000423152179 296385472 /nfs/dbraw/zinc/38/54/72/296385472.db2.gz DUDUYEYYLWMAKI-RTKZEXODSA-N 2 1 316.445 2.645 20 0 DFADMP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423148303 296385147 /nfs/dbraw/zinc/38/51/47/296385147.db2.gz UWVBXGAAUFHKIK-BHIYHBOVSA-N 2 1 318.436 2.950 20 0 DFADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@]4(CCOC4)C3)CCN2)cc1 ZINC000423154827 296385782 /nfs/dbraw/zinc/38/57/82/296385782.db2.gz KBGAGFSDRBKLTE-CEXWTWQISA-N 2 1 300.446 2.982 20 0 DFADMP c1ccc([C@@H]2C[C@H]([N@@H+]3CCC[C@@]4(CCOC4)C3)CC[NH2+]2)cc1 ZINC000423154827 296385783 /nfs/dbraw/zinc/38/57/83/296385783.db2.gz KBGAGFSDRBKLTE-CEXWTWQISA-N 2 1 300.446 2.982 20 0 DFADMP c1ccc([C@@H]2C[C@H]([N@H+]3CCC[C@@]4(CCOC4)C3)CC[NH2+]2)cc1 ZINC000423154827 296385784 /nfs/dbraw/zinc/38/57/84/296385784.db2.gz KBGAGFSDRBKLTE-CEXWTWQISA-N 2 1 300.446 2.982 20 0 DFADMP Cn1c[nH+]cc1CCN1CCC[N@H+](CC2CCCCC2)CC1 ZINC000347741997 285155259 /nfs/dbraw/zinc/15/52/59/285155259.db2.gz YMJBSJWRILPBFG-UHFFFAOYSA-N 2 1 304.482 2.551 20 0 DFADMP Cn1c[nH+]cc1CCN1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000347741997 285155261 /nfs/dbraw/zinc/15/52/61/285155261.db2.gz YMJBSJWRILPBFG-UHFFFAOYSA-N 2 1 304.482 2.551 20 0 DFADMP COc1ccc([C@H](CO)C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423171319 296387635 /nfs/dbraw/zinc/38/76/35/296387635.db2.gz ODKOOYABUBCVST-KYNGSXCRSA-N 2 1 312.413 2.506 20 0 DFADMP C[C@H]([NH2+]Cc1cc(Cl)cc(Br)c1)C1C[NH2+]C1 ZINC000423175529 296388214 /nfs/dbraw/zinc/38/82/14/296388214.db2.gz DWZUCPYEDNBRAT-QMMMGPOBSA-N 2 1 303.631 2.800 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000617011490 399573033 /nfs/dbraw/zinc/57/30/33/399573033.db2.gz GDZFNAVRBMOYQZ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000617011490 399573036 /nfs/dbraw/zinc/57/30/36/399573036.db2.gz GDZFNAVRBMOYQZ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000617011490 399573040 /nfs/dbraw/zinc/57/30/40/399573040.db2.gz GDZFNAVRBMOYQZ-NVXWUHKLSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CC[NH3+] ZINC000423182982 296389237 /nfs/dbraw/zinc/38/92/37/296389237.db2.gz MFNCWMLBEGPIER-LLVKDONJSA-N 2 1 323.234 2.918 20 0 DFADMP Fc1cncc([C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C2CC2)c1 ZINC000423182027 296389268 /nfs/dbraw/zinc/38/92/68/296389268.db2.gz DQPZTIRNYFZQEB-GOSISDBHSA-N 2 1 314.408 2.836 20 0 DFADMP Cc1nc(C)c([C@@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)s1 ZINC000423185148 296389816 /nfs/dbraw/zinc/38/98/16/296389816.db2.gz JITYOSGLXJZKLC-GFCCVEGCSA-N 2 1 304.463 2.985 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(OC)c2)[C@H](C)C1 ZINC000157673858 197207093 /nfs/dbraw/zinc/20/70/93/197207093.db2.gz OXVBAWACOXRAQW-CRAIPNDOSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(OC)c2)[C@H](C)C1 ZINC000157673858 197207094 /nfs/dbraw/zinc/20/70/94/197207094.db2.gz OXVBAWACOXRAQW-CRAIPNDOSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(OC)c2)[C@H](C)C1 ZINC000157673858 197207096 /nfs/dbraw/zinc/20/70/96/197207096.db2.gz OXVBAWACOXRAQW-CRAIPNDOSA-N 2 1 306.450 2.736 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH+]2CCC(CCC[NH+](C)C)CC2)n1 ZINC000602795901 399577678 /nfs/dbraw/zinc/57/76/78/399577678.db2.gz CJBSBUPYUUWXOR-ZDUSSCGKSA-N 2 1 323.437 2.576 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)[C@@H](C)[C@@H]1OC ZINC000423192735 296390874 /nfs/dbraw/zinc/39/08/74/296390874.db2.gz VYLVWKVEDHKMOU-NXHRZFHOSA-N 2 1 319.493 2.991 20 0 DFADMP C[NH2+]CCC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423199380 296391510 /nfs/dbraw/zinc/39/15/10/296391510.db2.gz JYVODUHPQWDOJY-ZDUSSCGKSA-N 2 1 313.239 2.862 20 0 DFADMP C[C@@H]1[C@H](NC[C@@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423214295 296393033 /nfs/dbraw/zinc/39/30/33/296393033.db2.gz OPFHOPKDHKHLON-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1[C@H](NC[C@@H]2CCC[NH2+]C2)CCC[N@H+]1Cc1ccccc1 ZINC000423214295 296393034 /nfs/dbraw/zinc/39/30/34/296393034.db2.gz OPFHOPKDHKHLON-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000347805856 285183060 /nfs/dbraw/zinc/18/30/60/285183060.db2.gz CWHUDYNKEPVGKB-JKSUJKDBSA-N 2 1 311.514 2.589 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@@H](C[NH+](C)Cc1ccccc1)C(C)C ZINC000347807029 285183569 /nfs/dbraw/zinc/18/35/69/285183569.db2.gz NBOMHBCZOWUPRK-SFHVURJKSA-N 2 1 319.493 2.601 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@@H](C[N@H+](C)Cc1ccccc1)C(C)C ZINC000347807029 285183574 /nfs/dbraw/zinc/18/35/74/285183574.db2.gz NBOMHBCZOWUPRK-SFHVURJKSA-N 2 1 319.493 2.601 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@@H](C[N@@H+](C)Cc1ccccc1)C(C)C ZINC000347807029 285183578 /nfs/dbraw/zinc/18/35/78/285183578.db2.gz NBOMHBCZOWUPRK-SFHVURJKSA-N 2 1 319.493 2.601 20 0 DFADMP CCN(C#N)CC[NH2+][C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000602812579 399586367 /nfs/dbraw/zinc/58/63/67/399586367.db2.gz TXVMLZXUKDLKBH-DZFIZOCASA-N 2 1 314.477 2.536 20 0 DFADMP CCN(C#N)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000602812579 399586373 /nfs/dbraw/zinc/58/63/73/399586373.db2.gz TXVMLZXUKDLKBH-DZFIZOCASA-N 2 1 314.477 2.536 20 0 DFADMP CC[NH+]1CCC(CCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000174106543 285184283 /nfs/dbraw/zinc/18/42/83/285184283.db2.gz YCPWNIKVZQNOHC-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000423240288 296396059 /nfs/dbraw/zinc/39/60/59/296396059.db2.gz CAVIZLPWONNQCG-FRYIKTPZSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)C3)cc1 ZINC000423240288 296396061 /nfs/dbraw/zinc/39/60/61/296396061.db2.gz CAVIZLPWONNQCG-FRYIKTPZSA-N 2 1 313.489 2.771 20 0 DFADMP CCC(CC)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156948360 197151916 /nfs/dbraw/zinc/15/19/16/197151916.db2.gz NHUJWBZULVKOQU-KRWDZBQOSA-N 2 1 317.477 2.662 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccc2c(c1)OCC(=O)N2 ZINC000423259499 296397659 /nfs/dbraw/zinc/39/76/59/296397659.db2.gz DYHUCBSLAUAUBF-LRDDRELGSA-N 2 1 317.433 2.576 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C[NH3+])CC(C)C)[C@H]1Oc1ccccc1 ZINC000423262168 296397916 /nfs/dbraw/zinc/39/79/16/296397916.db2.gz LWFUJDMMSXACHJ-BZZMCLGOSA-N 2 1 306.450 2.574 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H](C)C[NH2+]C)CCC2 ZINC000423274043 296399538 /nfs/dbraw/zinc/39/95/38/296399538.db2.gz LPPCHVJYRHMJJP-DGCLKSJQSA-N 2 1 308.422 2.587 20 0 DFADMP C[C@H]1CC[C@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000629411990 399596665 /nfs/dbraw/zinc/59/66/65/399596665.db2.gz JKSMMBIKINGWRT-WMZOPIPTSA-N 2 1 303.494 2.875 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423277898 296399919 /nfs/dbraw/zinc/39/99/19/296399919.db2.gz QKGFBAQTHZPWJO-NEWSRXKRSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[C@H]1c1ccccc1 ZINC000423277898 296399921 /nfs/dbraw/zinc/39/99/21/296399921.db2.gz QKGFBAQTHZPWJO-NEWSRXKRSA-N 3 1 301.478 2.801 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CC[C@@H](C)[NH2+]C1 ZINC000629411167 399596199 /nfs/dbraw/zinc/59/61/99/399596199.db2.gz IJQWDWPNSCKKQD-BMFZPTHFSA-N 2 1 306.450 2.755 20 0 DFADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(Br)c(F)c1 ZINC000423320657 296404044 /nfs/dbraw/zinc/40/40/44/296404044.db2.gz MJKBNFFPNVPYKQ-OQPBUACISA-N 2 1 301.203 2.976 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2cnccc2C)C1 ZINC000347864950 285215514 /nfs/dbraw/zinc/21/55/14/285215514.db2.gz OCNHYDMKWRAERI-IBGZPJMESA-N 2 1 319.493 2.755 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]C1)c1ccc(Br)cc1F ZINC000423327202 296404839 /nfs/dbraw/zinc/40/48/39/296404839.db2.gz DAYKGCMPHCYPNP-UWVGGRQHSA-N 2 1 301.203 2.848 20 0 DFADMP Cc1ccncc1CCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000347874666 285219692 /nfs/dbraw/zinc/21/96/92/285219692.db2.gz JQHZPUFQSQFJSM-SFHVURJKSA-N 2 1 301.478 2.986 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347874666 285219698 /nfs/dbraw/zinc/21/96/98/285219698.db2.gz JQHZPUFQSQFJSM-SFHVURJKSA-N 2 1 301.478 2.986 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000347874666 285219702 /nfs/dbraw/zinc/21/97/02/285219702.db2.gz JQHZPUFQSQFJSM-SFHVURJKSA-N 2 1 301.478 2.986 20 0 DFADMP COC[C@@H](CC(C)C)[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000359382989 285218841 /nfs/dbraw/zinc/21/88/41/285218841.db2.gz UODSNXXFHZXULP-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP CC[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc2c(c1)OCCO2 ZINC000271652716 209096113 /nfs/dbraw/zinc/09/61/13/209096113.db2.gz IMTLVHGBLIRRND-HOTGVXAUSA-N 2 1 304.434 2.983 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000318886911 533174510 /nfs/dbraw/zinc/17/45/10/533174510.db2.gz NQZHETFOBZUBJT-NUEKZKHPSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000423405889 296413151 /nfs/dbraw/zinc/41/31/51/296413151.db2.gz UHJODDXAVUSRJN-MKBNYLNASA-N 2 1 319.840 2.569 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCCc3ccc(F)cc32)CC1 ZINC000305756219 285245309 /nfs/dbraw/zinc/24/53/09/285245309.db2.gz AHXSLZSAAHTDAG-SFHVURJKSA-N 2 1 306.425 2.640 20 0 DFADMP CN(C)c1cc(NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc[nH+]1 ZINC000423444251 296417194 /nfs/dbraw/zinc/41/71/94/296417194.db2.gz WOHGYYJEPMLNOH-MRXNPFEDSA-N 2 1 312.417 2.812 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)o1 ZINC000602877069 399611931 /nfs/dbraw/zinc/61/19/31/399611931.db2.gz LKRWGRQQBULBPP-CYBMUJFWSA-N 2 1 306.406 2.545 20 0 DFADMP C[N@H+]1CCC[C@H](NC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073434122 542464374 /nfs/dbraw/zinc/46/43/74/542464374.db2.gz RPVLMJPOANSEMC-KRWDZBQOSA-N 2 1 310.401 2.649 20 0 DFADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CC2 ZINC000423474125 296419485 /nfs/dbraw/zinc/41/94/85/296419485.db2.gz JKKNJBPGENVBON-GXSJLCMTSA-N 2 1 320.305 2.926 20 0 DFADMP C[C@H]([NH2+]CC(=O)NC1CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934878 285254997 /nfs/dbraw/zinc/25/49/97/285254997.db2.gz RQOPWDZFTZTZAF-JKSUJKDBSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@H]([NH2+]CC(=O)NC1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934878 285255000 /nfs/dbraw/zinc/25/50/00/285255000.db2.gz RQOPWDZFTZTZAF-JKSUJKDBSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@@H]([NH2+]CC(=O)NC1CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347934875 285255224 /nfs/dbraw/zinc/25/52/24/285255224.db2.gz RQOPWDZFTZTZAF-CVEARBPZSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@@H]([NH2+]CC(=O)NC1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347934875 285255226 /nfs/dbraw/zinc/25/52/26/285255226.db2.gz RQOPWDZFTZTZAF-CVEARBPZSA-N 2 1 321.509 2.678 20 0 DFADMP OCC[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000187976549 285263439 /nfs/dbraw/zinc/26/34/39/285263439.db2.gz BQRHZXBUCVQACH-ICSRJNTNSA-N 2 1 316.489 2.834 20 0 DFADMP CCCC(=O)NC[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120431410 195164907 /nfs/dbraw/zinc/16/49/07/195164907.db2.gz MODDAEZTIZSURM-KRWDZBQOSA-N 2 1 320.481 2.600 20 0 DFADMP CCCC(=O)NC[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000120431410 195164909 /nfs/dbraw/zinc/16/49/09/195164909.db2.gz MODDAEZTIZSURM-KRWDZBQOSA-N 2 1 320.481 2.600 20 0 DFADMP COC[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000153256874 196865016 /nfs/dbraw/zinc/86/50/16/196865016.db2.gz AALORTXPIYBOLN-LJQANCHMSA-N 2 1 302.462 2.708 20 0 DFADMP O=C1OCC[C@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000120612343 195201637 /nfs/dbraw/zinc/20/16/37/195201637.db2.gz MSOPJPBMMRXNIA-DLBZAZTESA-N 2 1 308.466 2.528 20 0 DFADMP Cc1cnccc1OC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000289475541 221001751 /nfs/dbraw/zinc/00/17/51/221001751.db2.gz XKTRDQYEGAQKST-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000289519035 221034594 /nfs/dbraw/zinc/03/45/94/221034594.db2.gz FWKYZDPXKFHGMU-APWZRJJASA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000289519035 221034596 /nfs/dbraw/zinc/03/45/96/221034596.db2.gz FWKYZDPXKFHGMU-APWZRJJASA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000289519035 221034599 /nfs/dbraw/zinc/03/45/99/221034599.db2.gz FWKYZDPXKFHGMU-APWZRJJASA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000289519035 221034601 /nfs/dbraw/zinc/03/46/01/221034601.db2.gz FWKYZDPXKFHGMU-APWZRJJASA-N 2 1 320.477 2.764 20 0 DFADMP CC[N@H+]1CCCN(c2nc3ccccc3n3cncc23)[C@H](C)C1 ZINC000624273835 399624918 /nfs/dbraw/zinc/62/49/18/399624918.db2.gz KGDYZGADGNMUIG-CQSZACIVSA-N 2 1 309.417 2.803 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](CSc2ccccc2)C1)C1CC1 ZINC000289540942 221053235 /nfs/dbraw/zinc/05/32/35/221053235.db2.gz CLMKSIOHMHPYAS-NVXWUHKLSA-N 2 1 320.502 2.556 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](CSc2ccccc2)C1)C1CC1 ZINC000289540942 221053237 /nfs/dbraw/zinc/05/32/37/221053237.db2.gz CLMKSIOHMHPYAS-NVXWUHKLSA-N 2 1 320.502 2.556 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1)C1CC1 ZINC000289540942 221053238 /nfs/dbraw/zinc/05/32/38/221053238.db2.gz CLMKSIOHMHPYAS-NVXWUHKLSA-N 2 1 320.502 2.556 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1)C1CC1 ZINC000289540942 221053240 /nfs/dbraw/zinc/05/32/40/221053240.db2.gz CLMKSIOHMHPYAS-NVXWUHKLSA-N 2 1 320.502 2.556 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000289582988 221083892 /nfs/dbraw/zinc/08/38/92/221083892.db2.gz MMEDULHLHYTVRY-OAHLLOKOSA-N 2 1 321.465 2.594 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)c2ccoc2)CC1 ZINC000289582988 221083893 /nfs/dbraw/zinc/08/38/93/221083893.db2.gz MMEDULHLHYTVRY-OAHLLOKOSA-N 2 1 321.465 2.594 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)[C@@]2(F)CC[N@H+](C(C)(C)C)C2)c1 ZINC000289620416 221109022 /nfs/dbraw/zinc/10/90/22/221109022.db2.gz RJKGICBYGOXIQL-GOSISDBHSA-N 2 1 321.440 2.899 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000289688266 221155217 /nfs/dbraw/zinc/15/52/17/221155217.db2.gz IAXVINYEOAETPM-CRAIPNDOSA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@H](C)C1 ZINC000289688266 221155218 /nfs/dbraw/zinc/15/52/18/221155218.db2.gz IAXVINYEOAETPM-CRAIPNDOSA-N 2 1 316.493 2.810 20 0 DFADMP Cc1cnn(C)c1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000289714061 221174037 /nfs/dbraw/zinc/17/40/37/221174037.db2.gz OCXQKCWDWGUGCD-OAHLLOKOSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1cnn(C)c1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000289714061 221174040 /nfs/dbraw/zinc/17/40/40/221174040.db2.gz OCXQKCWDWGUGCD-OAHLLOKOSA-N 2 1 313.449 2.559 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000629513303 399630792 /nfs/dbraw/zinc/63/07/92/399630792.db2.gz FUCBVYHEFXGRMF-RDBSUJKOSA-N 2 1 318.387 2.887 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000629516609 399632812 /nfs/dbraw/zinc/63/28/12/399632812.db2.gz LNTCBDQXTAREPJ-RYQLBKOJSA-N 2 1 306.425 2.977 20 0 DFADMP CC(C)[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000625762360 399633454 /nfs/dbraw/zinc/63/34/54/399633454.db2.gz UZMCWRKQAZVFSV-UXHICEINSA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000625762360 399633460 /nfs/dbraw/zinc/63/34/60/399633460.db2.gz UZMCWRKQAZVFSV-UXHICEINSA-N 2 1 315.505 2.923 20 0 DFADMP CCc1ncc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000084018242 542505180 /nfs/dbraw/zinc/50/51/80/542505180.db2.gz BKWSZZXUKKCNQB-OKILXGFUSA-N 2 1 311.495 2.685 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000624309688 399634036 /nfs/dbraw/zinc/63/40/36/399634036.db2.gz UPTBASFUMLDXDJ-YSHGAJCASA-N 2 1 302.462 2.912 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000624309688 399634041 /nfs/dbraw/zinc/63/40/41/399634041.db2.gz UPTBASFUMLDXDJ-YSHGAJCASA-N 2 1 302.462 2.912 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(COCCOC)cc2)C1 ZINC000289824058 221249935 /nfs/dbraw/zinc/24/99/35/221249935.db2.gz SVZLZXLGEONXBL-IBGZPJMESA-N 2 1 320.477 2.671 20 0 DFADMP C[NH+]1CCC(NC[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289830431 221254014 /nfs/dbraw/zinc/25/40/14/221254014.db2.gz OFLQPQYJZXICTD-IBGZPJMESA-N 2 1 315.505 2.973 20 0 DFADMP CN1CCC([NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000289830431 221254015 /nfs/dbraw/zinc/25/40/15/221254015.db2.gz OFLQPQYJZXICTD-IBGZPJMESA-N 2 1 315.505 2.973 20 0 DFADMP CN1CCC([NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000289830431 221254018 /nfs/dbraw/zinc/25/40/18/221254018.db2.gz OFLQPQYJZXICTD-IBGZPJMESA-N 2 1 315.505 2.973 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000624311221 399635112 /nfs/dbraw/zinc/63/51/12/399635112.db2.gz VFMDSISFELJMOV-OWYHZJEWSA-N 2 1 302.462 2.912 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1OCC ZINC000629524418 399635499 /nfs/dbraw/zinc/63/54/99/399635499.db2.gz RIBCZFVZOBGICL-AWEZNQCLSA-N 2 1 322.449 2.643 20 0 DFADMP COCCOCc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000289895616 221299088 /nfs/dbraw/zinc/29/90/88/221299088.db2.gz YCDRLHHBDYLNGG-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629527407 399636756 /nfs/dbraw/zinc/63/67/56/399636756.db2.gz VCSDLLAHXSHYGU-DSLXNQLJSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[NH2+]1 ZINC000629535694 399639109 /nfs/dbraw/zinc/63/91/09/399639109.db2.gz DOIXDKIETLMLQN-PPXVZNSRSA-N 2 1 313.445 2.549 20 0 DFADMP CC[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000629545649 399642339 /nfs/dbraw/zinc/64/23/39/399642339.db2.gz IJAKXYFNDIPTLC-HZPDHXFCSA-N 2 1 319.840 2.707 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000629592417 399657709 /nfs/dbraw/zinc/65/77/09/399657709.db2.gz CIXIPEOAZMKBTE-IYBDPMFKSA-N 2 1 312.816 2.789 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](CCOc1ccc(Cl)c(F)c1)C2 ZINC000629592417 399657713 /nfs/dbraw/zinc/65/77/13/399657713.db2.gz CIXIPEOAZMKBTE-IYBDPMFKSA-N 2 1 312.816 2.789 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617345073 399671058 /nfs/dbraw/zinc/67/10/58/399671058.db2.gz WSLIHRLBGWISEM-IRXDYDNUSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)c2ccccc21 ZINC000629545527 399642887 /nfs/dbraw/zinc/64/28/87/399642887.db2.gz HTVYYUKOUPLAKT-SIIHOXLZSA-N 2 1 311.433 2.541 20 0 DFADMP FC(F)(F)C1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000629551786 399645339 /nfs/dbraw/zinc/64/53/39/399645339.db2.gz XLALKDVCDDSJPV-BFHYXJOUSA-N 2 1 320.399 2.856 20 0 DFADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@@H](O)C[NH+]2CCCC2)c1C ZINC000629559917 399648955 /nfs/dbraw/zinc/64/89/55/399648955.db2.gz UVBPCBDMFMRDQD-QGZVFWFLSA-N 2 1 315.461 2.639 20 0 DFADMP O[C@H](C[NH2+]Cc1ccc(OC2CCCC2)cc1)C[NH+]1CCCC1 ZINC000629559448 399649192 /nfs/dbraw/zinc/64/91/92/399649192.db2.gz RJHLJDVUEHFJPM-QGZVFWFLSA-N 2 1 318.461 2.554 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561865 399650232 /nfs/dbraw/zinc/65/02/32/399650232.db2.gz KBLXLSPWFCRTJJ-TZMCWYRMSA-N 2 1 302.340 2.654 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629561865 399650235 /nfs/dbraw/zinc/65/02/35/399650235.db2.gz KBLXLSPWFCRTJJ-TZMCWYRMSA-N 2 1 302.340 2.654 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000629567968 399651624 /nfs/dbraw/zinc/65/16/24/399651624.db2.gz HQONZVRTJIKUIZ-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1coc(-c2ccc(Cl)cc2)n1 ZINC000629567968 399651630 /nfs/dbraw/zinc/65/16/30/399651630.db2.gz HQONZVRTJIKUIZ-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)CCOc1cc(Cl)cc(Cl)c1 ZINC000629571459 399652583 /nfs/dbraw/zinc/65/25/83/399652583.db2.gz MMFBQJZPCRFSSC-UHFFFAOYSA-N 2 1 321.248 2.540 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000348070254 285329255 /nfs/dbraw/zinc/32/92/55/285329255.db2.gz IWRRRJQXQUKLSZ-INIZCTEOSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](NC(=O)C(C)(C)C)C1 ZINC000348070254 285329258 /nfs/dbraw/zinc/32/92/58/285329258.db2.gz IWRRRJQXQUKLSZ-INIZCTEOSA-N 2 1 320.481 2.598 20 0 DFADMP C[NH+]1CCC(N[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168240 542534430 /nfs/dbraw/zinc/53/44/30/542534430.db2.gz ATWULKWATPTUKL-SFHVURJKSA-N 2 1 301.478 2.723 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCO[C@H]2c2ccc(Cl)c(F)c2)CC1 ZINC000091412602 542540649 /nfs/dbraw/zinc/54/06/49/542540649.db2.gz WUVSUWNGZTUNND-CVEARBPZSA-N 2 1 312.816 2.993 20 0 DFADMP CC(C)CO[C@H]1CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000091964154 542543813 /nfs/dbraw/zinc/54/38/13/542543813.db2.gz AURUXRBCJZGLKE-IBGZPJMESA-N 2 1 320.477 2.874 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOCC23CCCC3)cc1 ZINC000093840526 542554585 /nfs/dbraw/zinc/55/45/85/542554585.db2.gz IDXXASAPPJPNMH-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CC2(C1)CCCCC2 ZINC000617502095 399718826 /nfs/dbraw/zinc/71/88/26/399718826.db2.gz BVGQFTDOXUTVOK-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CC2(C1)CCCCC2 ZINC000617502095 399718830 /nfs/dbraw/zinc/71/88/30/399718830.db2.gz BVGQFTDOXUTVOK-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000271973647 285338633 /nfs/dbraw/zinc/33/86/33/285338633.db2.gz NHPNFIOQMQNMKT-GEALJGNFSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000271973647 285338635 /nfs/dbraw/zinc/33/86/35/285338635.db2.gz NHPNFIOQMQNMKT-GEALJGNFSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000271973647 285338636 /nfs/dbraw/zinc/33/86/36/285338636.db2.gz NHPNFIOQMQNMKT-GEALJGNFSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000271973647 285338638 /nfs/dbraw/zinc/33/86/38/285338638.db2.gz NHPNFIOQMQNMKT-GEALJGNFSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@]1(C(F)(F)F)CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000367240789 285342807 /nfs/dbraw/zinc/34/28/07/285342807.db2.gz XRMUOBFSQBKRRG-AWEZNQCLSA-N 2 1 308.388 2.642 20 0 DFADMP O[C@@]1(C(F)(F)F)CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000367240789 285342808 /nfs/dbraw/zinc/34/28/08/285342808.db2.gz XRMUOBFSQBKRRG-AWEZNQCLSA-N 2 1 308.388 2.642 20 0 DFADMP O[C@H](C[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000157344152 285351466 /nfs/dbraw/zinc/35/14/66/285351466.db2.gz UFAODSOQOQETPW-ZWKOTPCHSA-N 2 1 306.425 2.809 20 0 DFADMP O[C@H](C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000157344152 285351468 /nfs/dbraw/zinc/35/14/68/285351468.db2.gz UFAODSOQOQETPW-ZWKOTPCHSA-N 2 1 306.425 2.809 20 0 DFADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000348113619 285357867 /nfs/dbraw/zinc/35/78/67/285357867.db2.gz RWQWMAWNKOWXFD-KFWWJZLASA-N 2 1 320.399 2.950 20 0 DFADMP FC(F)(F)[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000348113619 285357870 /nfs/dbraw/zinc/35/78/70/285357870.db2.gz RWQWMAWNKOWXFD-KFWWJZLASA-N 2 1 320.399 2.950 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000621260493 399737091 /nfs/dbraw/zinc/73/70/91/399737091.db2.gz GHWPDXLAHYQKCY-MRXNPFEDSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621260493 399737093 /nfs/dbraw/zinc/73/70/93/399737093.db2.gz GHWPDXLAHYQKCY-MRXNPFEDSA-N 2 1 311.857 2.668 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](Cc2cccc3c[nH]nc32)CC1 ZINC000121772624 195344849 /nfs/dbraw/zinc/34/48/49/195344849.db2.gz DUOPQFSFVQDOIS-UHFFFAOYSA-N 2 1 309.417 2.751 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130118 285370111 /nfs/dbraw/zinc/37/01/11/285370111.db2.gz UUOKTRMAAVIWBH-QZTJIDSGSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130118 285370114 /nfs/dbraw/zinc/37/01/14/285370114.db2.gz UUOKTRMAAVIWBH-QZTJIDSGSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130118 285370116 /nfs/dbraw/zinc/37/01/16/285370116.db2.gz UUOKTRMAAVIWBH-QZTJIDSGSA-N 2 1 322.880 2.804 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nc1 ZINC000348140405 285377685 /nfs/dbraw/zinc/37/76/85/285377685.db2.gz KCGICKLOCVCOBF-PKOBYXMFSA-N 2 1 324.472 2.828 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)CC1(O)CCSCC1 ZINC000626063950 399742772 /nfs/dbraw/zinc/74/27/72/399742772.db2.gz WJNYFYPEVZADDB-UHFFFAOYSA-N 2 1 322.518 2.828 20 0 DFADMP CCc1ccc(C2CC[NH+](C[C@H](O)C[N@@H+](C)CC)CC2)cc1 ZINC000626086881 399749794 /nfs/dbraw/zinc/74/97/94/399749794.db2.gz UCZNCKGIKDJUID-LJQANCHMSA-N 2 1 304.478 2.741 20 0 DFADMP CCc1ccc(C2CC[NH+](C[C@H](O)C[N@H+](C)CC)CC2)cc1 ZINC000626086881 399749799 /nfs/dbraw/zinc/74/97/99/399749799.db2.gz UCZNCKGIKDJUID-LJQANCHMSA-N 2 1 304.478 2.741 20 0 DFADMP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000127971543 542616352 /nfs/dbraw/zinc/61/63/52/542616352.db2.gz ZUCRWEKERMWMKV-RHSMWYFYSA-N 2 1 318.465 2.789 20 0 DFADMP Cc1ccccc1[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC000629990566 399784124 /nfs/dbraw/zinc/78/41/24/399784124.db2.gz CTGCDPNDJIQARQ-HNAYVOBHSA-N 2 1 317.477 2.587 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@@](C)(O)[C@@H](C)CC)[C@@H](C)C1 ZINC000163814201 132123771 /nfs/dbraw/zinc/12/37/71/132123771.db2.gz ABJBKYGPCFBIJD-WNRNVDISSA-N 2 1 314.514 2.510 20 0 DFADMP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166099301 542750120 /nfs/dbraw/zinc/75/01/20/542750120.db2.gz WDQYRIPPTSVXSI-PKOBYXMFSA-N 2 1 310.445 2.631 20 0 DFADMP c1cn(Cc2cccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000166122381 542750177 /nfs/dbraw/zinc/75/01/77/542750177.db2.gz CPDLACUFRUNJRR-RBUKOAKNSA-N 2 1 310.445 2.648 20 0 DFADMP CCSc1cccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000185519040 542811228 /nfs/dbraw/zinc/81/12/28/542811228.db2.gz KVYAFZTWEVCBRC-UHFFFAOYSA-N 2 1 321.534 2.916 20 0 DFADMP COc1cccc2c1CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000194862678 542862454 /nfs/dbraw/zinc/86/24/54/542862454.db2.gz KOHLWOHNPWYXLQ-QAPCUYQASA-N 2 1 318.461 2.509 20 0 DFADMP COc1cccc2c1CCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000194862669 542862519 /nfs/dbraw/zinc/86/25/19/542862519.db2.gz KOHLWOHNPWYXLQ-MAUKXSAKSA-N 2 1 318.461 2.509 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248176024 542933583 /nfs/dbraw/zinc/93/35/83/542933583.db2.gz VOLZWNABQHGWMY-KXBFYZLASA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248176024 542933587 /nfs/dbraw/zinc/93/35/87/542933587.db2.gz VOLZWNABQHGWMY-KXBFYZLASA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248176024 542933589 /nfs/dbraw/zinc/93/35/89/542933589.db2.gz VOLZWNABQHGWMY-KXBFYZLASA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248176024 542933595 /nfs/dbraw/zinc/93/35/95/542933595.db2.gz VOLZWNABQHGWMY-KXBFYZLASA-N 2 1 310.445 2.854 20 0 DFADMP CO[C@H]1C[C@H]2C[C@H]([NH2+]C3CC[NH+](CCOC(C)C)CC3)C[C@H]2C1 ZINC000424313617 296501225 /nfs/dbraw/zinc/50/12/25/296501225.db2.gz NWMIJICXNQYLSB-AYMGRPCJSA-N 2 1 324.509 2.669 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000280003414 542986089 /nfs/dbraw/zinc/98/60/89/542986089.db2.gz GDVIAYOTLCBMKV-DYVFJYSZSA-N 2 1 316.445 2.765 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)CCc3c[nH]cn3)c2C1 ZINC000281391076 542991672 /nfs/dbraw/zinc/99/16/72/542991672.db2.gz YZFMUZKLONAZKH-UHFFFAOYSA-N 2 1 312.417 2.953 20 0 DFADMP CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](CC)C1 ZINC000617928289 399837866 /nfs/dbraw/zinc/83/78/66/399837866.db2.gz MVZIYMYNEHGLQH-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CC)C1 ZINC000617928289 399837868 /nfs/dbraw/zinc/83/78/68/399837868.db2.gz MVZIYMYNEHGLQH-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](CC)C1 ZINC000617928289 399837871 /nfs/dbraw/zinc/83/78/71/399837871.db2.gz MVZIYMYNEHGLQH-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000317616433 543076222 /nfs/dbraw/zinc/07/62/22/543076222.db2.gz TUAIUNMGXSBWOM-YJBOKZPZSA-N 2 1 306.450 2.913 20 0 DFADMP c1ccc(CN2CCC[N@H+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000323558909 543092885 /nfs/dbraw/zinc/09/28/85/543092885.db2.gz SSQUNWFFGQIGKP-UHFFFAOYSA-N 2 1 315.505 2.974 20 0 DFADMP c1ccc(C[N@H+]2CCCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000323558909 543092887 /nfs/dbraw/zinc/09/28/87/543092887.db2.gz SSQUNWFFGQIGKP-UHFFFAOYSA-N 2 1 315.505 2.974 20 0 DFADMP c1ccc(C[N@@H+]2CCCN(CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000323558909 543092888 /nfs/dbraw/zinc/09/28/88/543092888.db2.gz SSQUNWFFGQIGKP-UHFFFAOYSA-N 2 1 315.505 2.974 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNC(=O)CC[N@H+]2CCCC[C@H]2C)C1 ZINC000339263981 543142541 /nfs/dbraw/zinc/14/25/41/543142541.db2.gz IBNURPYGIDJFRD-KZNAEPCWSA-N 2 1 323.525 2.735 20 0 DFADMP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339065041 543139140 /nfs/dbraw/zinc/13/91/40/543139140.db2.gz BPPCFDSKLRVDCQ-SJORKVTESA-N 2 1 313.445 2.530 20 0 DFADMP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339065041 543139142 /nfs/dbraw/zinc/13/91/42/543139142.db2.gz BPPCFDSKLRVDCQ-SJORKVTESA-N 2 1 313.445 2.530 20 0 DFADMP c1cnn(Cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)c1 ZINC000339068780 543139542 /nfs/dbraw/zinc/13/95/42/543139542.db2.gz PZPCYWNEAFUKHL-MOPGFXCFSA-N 2 1 310.445 2.648 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CC3)cc2)CC1 ZINC000348081051 543182977 /nfs/dbraw/zinc/18/29/77/543182977.db2.gz HXWBSKQTULKZPS-PMACEKPBSA-N 2 1 313.489 2.712 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000351606500 543225860 /nfs/dbraw/zinc/22/58/60/543225860.db2.gz TYKWXSOORWXHLO-DLBZAZTESA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000351606500 543225864 /nfs/dbraw/zinc/22/58/64/543225864.db2.gz TYKWXSOORWXHLO-DLBZAZTESA-N 2 1 308.441 2.958 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(CO)Cc1ccccc1 ZINC000357815049 543264419 /nfs/dbraw/zinc/26/44/19/543264419.db2.gz VESMVOSHUFHWQY-ZAWLATJESA-N 2 1 304.478 2.546 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000353954186 146845139 /nfs/dbraw/zinc/84/51/39/146845139.db2.gz JGQCDHNAYPULKV-HZMVEIRTSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000353954186 146845140 /nfs/dbraw/zinc/84/51/40/146845140.db2.gz JGQCDHNAYPULKV-HZMVEIRTSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000380907739 543297501 /nfs/dbraw/zinc/29/75/01/543297501.db2.gz IDWQLYDOQNFQMC-WMZOPIPTSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000380907739 543297502 /nfs/dbraw/zinc/29/75/02/543297502.db2.gz IDWQLYDOQNFQMC-WMZOPIPTSA-N 2 1 312.461 2.983 20 0 DFADMP CCCn1nccc1CNCCC[N@@H+](C)Cc1ccccc1 ZINC000381787626 543298206 /nfs/dbraw/zinc/29/82/06/543298206.db2.gz IXGSSEBYIIGJHQ-UHFFFAOYSA-N 2 1 300.450 2.905 20 0 DFADMP C[C@H](N[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381802328 543298281 /nfs/dbraw/zinc/29/82/81/543298281.db2.gz UOGITISPMPBAHK-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381802328 543298283 /nfs/dbraw/zinc/29/82/83/543298283.db2.gz UOGITISPMPBAHK-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381802328 543298284 /nfs/dbraw/zinc/29/82/84/543298284.db2.gz UOGITISPMPBAHK-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381802328 543298286 /nfs/dbraw/zinc/29/82/86/543298286.db2.gz UOGITISPMPBAHK-UHOSZYNNSA-N 2 1 301.478 2.581 20 0 DFADMP COc1ccc(Br)c(C[NH2+]CCc2c[nH+]cn2C)c1 ZINC000401789158 543312721 /nfs/dbraw/zinc/31/27/21/543312721.db2.gz GFKOGXXIQFIPAM-UHFFFAOYSA-N 2 1 324.222 2.524 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CCOCC1 ZINC000165347364 145229867 /nfs/dbraw/zinc/22/98/67/145229867.db2.gz JCAVKIUHBRDUSB-PKOBYXMFSA-N 2 1 316.489 2.956 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000165716470 145231809 /nfs/dbraw/zinc/23/18/09/145231809.db2.gz SSZCQEQRJZLUMA-CRAIPNDOSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)CC[N@H+]1C ZINC000165716470 145231812 /nfs/dbraw/zinc/23/18/12/145231812.db2.gz SSZCQEQRJZLUMA-CRAIPNDOSA-N 2 1 319.468 2.862 20 0 DFADMP [NH3+]CCC[N@H+]1CCC[C@@H](Nc2cccc(Br)c2)C1 ZINC000414752133 543327254 /nfs/dbraw/zinc/32/72/54/543327254.db2.gz KAJRWVHELPSQFD-CQSZACIVSA-N 2 1 312.255 2.674 20 0 DFADMP CCn1ccnc1CN1CCC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000172669334 145311577 /nfs/dbraw/zinc/31/15/77/145311577.db2.gz PSYNPIJOAWSHHK-KRWDZBQOSA-N 2 1 312.461 2.999 20 0 DFADMP Cc1cc(N(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)nc(-c2ccncc2)n1 ZINC000172765391 145315330 /nfs/dbraw/zinc/31/53/30/145315330.db2.gz JOELXAJWOFRPRP-ZBFHGGJFSA-N 2 1 311.433 2.766 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)CN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000173528386 145346978 /nfs/dbraw/zinc/34/69/78/145346978.db2.gz RTDFHNOJVKZLIL-BBWFWOEESA-N 2 1 311.514 2.732 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)C(=O)NCCC2=CCCCC2)CC1 ZINC000173618530 145348725 /nfs/dbraw/zinc/34/87/25/145348725.db2.gz PBCOKAKZRCNVLM-MRXNPFEDSA-N 2 1 321.509 2.844 20 0 DFADMP CCC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CC1(C)C ZINC000417312393 543334778 /nfs/dbraw/zinc/33/47/78/543334778.db2.gz NOZWKZHLLIVDCU-DLBZAZTESA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@@H+](CCCNC(=O)N(C)Cc1ncc[nH]1)C1CCCCC1 ZINC000633332689 399887434 /nfs/dbraw/zinc/88/74/34/399887434.db2.gz BWJOIQYTYQXGAF-UHFFFAOYSA-N 2 1 321.469 2.596 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630510217 399896286 /nfs/dbraw/zinc/89/62/86/399896286.db2.gz UNQGVKNWOPDUBY-BBRMVZONSA-N 2 1 309.417 2.536 20 0 DFADMP [NH3+]CC[C@H]1CCCN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630514083 399897285 /nfs/dbraw/zinc/89/72/85/399897285.db2.gz UUBAVQQJQIRROQ-OAHLLOKOSA-N 2 1 323.444 2.562 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630513693 399897289 /nfs/dbraw/zinc/89/72/89/399897289.db2.gz FSAADFMQEKHLOJ-CZUORRHYSA-N 2 1 309.417 2.536 20 0 DFADMP [NH3+]Cc1cccc(-n2cc(C[NH2+][C@H]3CCc4ccccc43)nn2)c1 ZINC000630608008 399909747 /nfs/dbraw/zinc/90/97/47/399909747.db2.gz SDANUPDZYRNNBC-IBGZPJMESA-N 2 1 319.412 2.503 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953363 399965068 /nfs/dbraw/zinc/96/50/68/399965068.db2.gz GQMHMDSCDCDRHM-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631038921 399966981 /nfs/dbraw/zinc/96/69/81/399966981.db2.gz BGJTVZBZNLWDHA-MRXNPFEDSA-N 2 1 319.493 2.984 20 0 DFADMP COc1cc(Cl)c(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000631080474 399976628 /nfs/dbraw/zinc/97/66/28/399976628.db2.gz QRQUFINYLXIVMX-DGCLKSJQSA-N 2 1 312.841 2.930 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000628544329 400039455 /nfs/dbraw/zinc/03/94/55/400039455.db2.gz DLXBOLRBHRAUMO-GDBMZVCRSA-N 2 1 309.498 2.676 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634124192 399986003 /nfs/dbraw/zinc/98/60/03/399986003.db2.gz CJRBKJPEARAGTO-HNNXBMFYSA-N 2 1 320.481 2.729 20 0 DFADMP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631196194 400001489 /nfs/dbraw/zinc/00/14/89/400001489.db2.gz OOBNATLSUINYJT-CRAIPNDOSA-N 2 1 312.461 2.586 20 0 DFADMP CCn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631196585 400001611 /nfs/dbraw/zinc/00/16/11/400001611.db2.gz SOZFLLGUGDTQSR-LPHOPBHVSA-N 2 1 312.461 2.761 20 0 DFADMP CCn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631196585 400001613 /nfs/dbraw/zinc/00/16/13/400001613.db2.gz SOZFLLGUGDTQSR-LPHOPBHVSA-N 2 1 312.461 2.761 20 0 DFADMP Cc1cc(N2CCC([NH2+]C[C@]3(C)CCCS3)CC2)nc(C)[nH+]1 ZINC000628233613 400005513 /nfs/dbraw/zinc/00/55/13/400005513.db2.gz MJUKZOBZLYHZGJ-KRWDZBQOSA-N 2 1 320.506 2.938 20 0 DFADMP C[N@H+]1CC[C@H](N(CC[NH3+])c2ccc3ccccc3n2)CC1(C)C ZINC000628310364 400018165 /nfs/dbraw/zinc/01/81/65/400018165.db2.gz ADZYAIBNEXSBJM-INIZCTEOSA-N 2 1 312.461 2.873 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H]1CCCC[NH+](C)C1)c1ccccc1 ZINC000628757219 400053994 /nfs/dbraw/zinc/05/39/94/400053994.db2.gz ZZNVCVDGINIBJR-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628757219 400053995 /nfs/dbraw/zinc/05/39/95/400053995.db2.gz ZZNVCVDGINIBJR-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628757219 400053996 /nfs/dbraw/zinc/05/39/96/400053996.db2.gz ZZNVCVDGINIBJR-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCCOc3c(OC)cccc32)CC1 ZINC000631582278 400054634 /nfs/dbraw/zinc/05/46/34/400054634.db2.gz JMVRXIIEGHNGEW-MRXNPFEDSA-N 2 1 304.434 2.983 20 0 DFADMP CCOC1CC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000631661641 400063313 /nfs/dbraw/zinc/06/33/13/400063313.db2.gz ARHBNIBJUYBVCI-BJMVHTGZSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000631661626 400063508 /nfs/dbraw/zinc/06/35/08/400063508.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631661626 400063509 /nfs/dbraw/zinc/06/35/09/400063509.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631661626 400063510 /nfs/dbraw/zinc/06/35/10/400063510.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000631661626 400063511 /nfs/dbraw/zinc/06/35/11/400063511.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000631661626 400063512 /nfs/dbraw/zinc/06/35/12/400063512.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631661626 400063513 /nfs/dbraw/zinc/06/35/13/400063513.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631661626 400063514 /nfs/dbraw/zinc/06/35/14/400063514.db2.gz AMRKBJGQDQGLIO-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631663347 400063607 /nfs/dbraw/zinc/06/36/07/400063607.db2.gz IOHFEHWIGLHPPR-ZHALLVOQSA-N 2 1 312.461 2.629 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000631669668 400064595 /nfs/dbraw/zinc/06/45/95/400064595.db2.gz JGYNCLVJVAUWGX-OUUBHVDSSA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000631669672 400064704 /nfs/dbraw/zinc/06/47/04/400064704.db2.gz JGYNCLVJVAUWGX-UHZRXMQZSA-N 2 1 314.473 2.648 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000628966512 400066914 /nfs/dbraw/zinc/06/69/14/400066914.db2.gz YHUYUGYJNGRLSC-GOEBONIOSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000628966512 400066916 /nfs/dbraw/zinc/06/69/16/400066916.db2.gz YHUYUGYJNGRLSC-GOEBONIOSA-N 2 1 318.465 2.530 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC[C@@H](O)C(F)F)cc1 ZINC000631697727 400067880 /nfs/dbraw/zinc/06/78/80/400067880.db2.gz OZYILYSGCNNSOI-IAQYHMDHSA-N 2 1 309.360 2.847 20 0 DFADMP C[C@H]([NH2+]CC[C@H](O)C(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000631698598 400067985 /nfs/dbraw/zinc/06/79/85/400067985.db2.gz GIANFYIAUHXJHK-BPUTZDHNSA-N 2 1 312.404 2.503 20 0 DFADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)co2)c1 ZINC000631822540 400077538 /nfs/dbraw/zinc/07/75/38/400077538.db2.gz HQNAKBIMVLAEPM-CHWSQXEVSA-N 2 1 301.390 2.519 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)co2)c1 ZINC000631822540 400077539 /nfs/dbraw/zinc/07/75/39/400077539.db2.gz HQNAKBIMVLAEPM-CHWSQXEVSA-N 2 1 301.390 2.519 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)COCC2 ZINC000631826754 400077948 /nfs/dbraw/zinc/07/79/48/400077948.db2.gz WIXRONUJVALTAD-DLBZAZTESA-N 2 1 314.473 2.971 20 0 DFADMP [NH3+][C@@H]1CCCCC[N@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000631832549 400078514 /nfs/dbraw/zinc/07/85/14/400078514.db2.gz IFJSTAPEFULDOA-OAHLLOKOSA-N 2 1 323.868 2.550 20 0 DFADMP [NH3+][C@@H]1CCCCC[N@@H+](CCC(=O)NCc2ccccc2Cl)C1 ZINC000631832549 400078515 /nfs/dbraw/zinc/07/85/15/400078515.db2.gz IFJSTAPEFULDOA-OAHLLOKOSA-N 2 1 323.868 2.550 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000631840903 400079015 /nfs/dbraw/zinc/07/90/15/400079015.db2.gz VZOBJEVXDROQAK-QAPCUYQASA-N 2 1 311.429 2.687 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CCC[NH2+]1)[C@H]1CCCN1C(=O)OC(C)(C)C ZINC000496282754 300040506 /nfs/dbraw/zinc/04/05/06/300040506.db2.gz KJIDCCXPXJIZOW-QLFBSQMISA-N 2 1 311.470 2.506 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434691775 543349022 /nfs/dbraw/zinc/34/90/22/543349022.db2.gz UISTYJCDFJOABY-IAGOWNOFSA-N 2 1 303.450 2.702 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000228409088 146009347 /nfs/dbraw/zinc/00/93/47/146009347.db2.gz ZCMCMRUWIGTBPM-UHFFFAOYSA-N 2 1 313.239 2.689 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC2CC[NH2+]CC2)c1 ZINC000236663144 146023401 /nfs/dbraw/zinc/02/34/01/146023401.db2.gz WOCZIAGKPOSXLP-UHFFFAOYSA-N 2 1 317.477 2.533 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000236781163 146027270 /nfs/dbraw/zinc/02/72/70/146027270.db2.gz BMHZTFKKIYAVGL-WMZOPIPTSA-N 2 1 317.477 2.627 20 0 DFADMP Brc1ccc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)nc1 ZINC000437982936 543352635 /nfs/dbraw/zinc/35/26/35/543352635.db2.gz GKXDXSGSRXRKGE-CQSZACIVSA-N 2 1 321.222 2.705 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000236854440 146030238 /nfs/dbraw/zinc/03/02/38/146030238.db2.gz YUMWHAHCRHZPJT-IBGZPJMESA-N 2 1 303.494 2.973 20 0 DFADMP C[C@](O)(C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000245458684 146073568 /nfs/dbraw/zinc/07/35/68/146073568.db2.gz UZUZANBMSBKTQA-HKUYNNGSSA-N 2 1 302.462 2.702 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245682846 146093495 /nfs/dbraw/zinc/09/34/95/146093495.db2.gz JDEDNHLNKLCKGV-LDLYASANSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245682846 146093497 /nfs/dbraw/zinc/09/34/97/146093497.db2.gz JDEDNHLNKLCKGV-LDLYASANSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+](C)CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245682846 146093499 /nfs/dbraw/zinc/09/34/99/146093499.db2.gz JDEDNHLNKLCKGV-LDLYASANSA-N 2 1 301.478 2.723 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+](C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000245715073 146096373 /nfs/dbraw/zinc/09/63/73/146096373.db2.gz GTAOINMFGYKGHH-RDTXWAMCSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH+](C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000245715073 146096376 /nfs/dbraw/zinc/09/63/76/146096376.db2.gz GTAOINMFGYKGHH-RDTXWAMCSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245715073 146096379 /nfs/dbraw/zinc/09/63/79/146096379.db2.gz GTAOINMFGYKGHH-RDTXWAMCSA-N 2 1 306.498 2.707 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000245715073 146096382 /nfs/dbraw/zinc/09/63/82/146096382.db2.gz GTAOINMFGYKGHH-RDTXWAMCSA-N 2 1 306.498 2.707 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000245906626 146107972 /nfs/dbraw/zinc/10/79/72/146107972.db2.gz NASWGGMFXUCZGM-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000245917851 146109763 /nfs/dbraw/zinc/10/97/63/146109763.db2.gz QHLYWRRRKYQYJN-DZUCGIPZSA-N 2 1 303.450 2.765 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000246246113 146133566 /nfs/dbraw/zinc/13/35/66/146133566.db2.gz SDANLHFNTVHCFZ-SWLSCSKDSA-N 2 1 324.852 2.931 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H](C)C1 ZINC000246246113 146133568 /nfs/dbraw/zinc/13/35/68/146133568.db2.gz SDANLHFNTVHCFZ-SWLSCSKDSA-N 2 1 324.852 2.931 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000246754132 146155578 /nfs/dbraw/zinc/15/55/78/146155578.db2.gz GAFYSYDFSYTJDD-CVEARBPZSA-N 2 1 317.477 2.598 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@@H](C)C1 ZINC000247136951 146163512 /nfs/dbraw/zinc/16/35/12/146163512.db2.gz SAUKSCYLXPYVBL-LSDHHAIUSA-N 2 1 300.450 2.815 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000247210752 146164533 /nfs/dbraw/zinc/16/45/33/146164533.db2.gz LZBAIBSYKBZRDA-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000247210752 146164536 /nfs/dbraw/zinc/16/45/36/146164536.db2.gz LZBAIBSYKBZRDA-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000453333681 543371490 /nfs/dbraw/zinc/37/14/90/543371490.db2.gz BTTHSDCYVMROIJ-HCXYKTFWSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCC[C@@H]2O)C[C@@H]1c1ccccc1 ZINC000453333681 543371494 /nfs/dbraw/zinc/37/14/94/543371494.db2.gz BTTHSDCYVMROIJ-HCXYKTFWSA-N 2 1 302.462 2.963 20 0 DFADMP CSC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000249459799 146198403 /nfs/dbraw/zinc/19/84/03/146198403.db2.gz OQNMWUQNELOTQO-KBAYOESNSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000249459799 146198405 /nfs/dbraw/zinc/19/84/05/146198405.db2.gz OQNMWUQNELOTQO-KBAYOESNSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249459799 146198408 /nfs/dbraw/zinc/19/84/08/146198408.db2.gz OQNMWUQNELOTQO-KBAYOESNSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000249459799 146198410 /nfs/dbraw/zinc/19/84/10/146198410.db2.gz OQNMWUQNELOTQO-KBAYOESNSA-N 2 1 322.518 2.695 20 0 DFADMP CC[NH+](C/C=C\C[N@H+](CC)C[C@@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255888546 146234872 /nfs/dbraw/zinc/23/48/72/146234872.db2.gz OTQQIHSDVNGQOU-SLXDBMQSSA-N 2 1 310.482 2.544 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551695 146239179 /nfs/dbraw/zinc/23/91/79/146239179.db2.gz QVIQYTPVPWICBW-CEXWTWQISA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261551695 146239183 /nfs/dbraw/zinc/23/91/83/146239183.db2.gz QVIQYTPVPWICBW-CEXWTWQISA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551695 146239187 /nfs/dbraw/zinc/23/91/87/146239187.db2.gz QVIQYTPVPWICBW-CEXWTWQISA-N 2 1 301.478 2.616 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261546038 146239979 /nfs/dbraw/zinc/23/99/79/146239979.db2.gz KPSBTPMYNTZFPN-VNTMZGSJSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261546038 146239981 /nfs/dbraw/zinc/23/99/81/146239981.db2.gz KPSBTPMYNTZFPN-VNTMZGSJSA-N 2 1 313.489 2.771 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000261559727 146240542 /nfs/dbraw/zinc/24/05/42/146240542.db2.gz ZGXZLSPBKDJYIQ-OUUBHVDSSA-N 3 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000261559727 146240545 /nfs/dbraw/zinc/24/05/45/146240545.db2.gz ZGXZLSPBKDJYIQ-OUUBHVDSSA-N 2 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000261559727 146240548 /nfs/dbraw/zinc/24/05/48/146240548.db2.gz ZGXZLSPBKDJYIQ-OUUBHVDSSA-N 2 1 313.489 2.757 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCN(Cc2ccccc2)CC1 ZINC000261557571 146241068 /nfs/dbraw/zinc/24/10/68/146241068.db2.gz XLVPCKZVILFRSF-SFHVURJKSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@H+](CC[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261557571 146241070 /nfs/dbraw/zinc/24/10/70/146241070.db2.gz XLVPCKZVILFRSF-SFHVURJKSA-N 3 1 315.505 2.973 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000261557571 146241074 /nfs/dbraw/zinc/24/10/74/146241074.db2.gz XLVPCKZVILFRSF-SFHVURJKSA-N 3 1 315.505 2.973 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000261557891 146241571 /nfs/dbraw/zinc/24/15/71/146241571.db2.gz XUNGPLRXHAOUDC-FHWLQOOXSA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000261557891 146241575 /nfs/dbraw/zinc/24/15/75/146241575.db2.gz XUNGPLRXHAOUDC-FHWLQOOXSA-N 2 1 301.478 2.758 20 0 DFADMP CCN(CC)[C@H](c1nc(C2(N)CCC2)no1)c1ccccc1 ZINC000261607752 146246012 /nfs/dbraw/zinc/24/60/12/146246012.db2.gz AIZAVGDSQSJSOP-AWEZNQCLSA-N 2 1 300.406 2.839 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261651872 146253488 /nfs/dbraw/zinc/25/34/88/146253488.db2.gz HKVUVWVHKIRDLQ-LJQANCHMSA-N 2 1 311.429 2.928 20 0 DFADMP C[N@@H+](CCc1ccc(Br)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261705748 146261994 /nfs/dbraw/zinc/26/19/94/146261994.db2.gz DBMWLDZGNFFPAT-OAHLLOKOSA-N 2 1 311.267 2.923 20 0 DFADMP O=C(C[C@@H]1CCC[N@H+]1C[C@@H]1CCC[NH2+]C1)c1ccc(F)cc1 ZINC000261751414 146270848 /nfs/dbraw/zinc/27/08/48/146270848.db2.gz CEQCDPYLOXJQDZ-PBHICJAKSA-N 2 1 304.409 2.863 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]12 ZINC000261773621 146274891 /nfs/dbraw/zinc/27/48/91/146274891.db2.gz WFDPWWWRSOESFJ-IACUBPJLSA-N 2 1 300.324 2.754 20 0 DFADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)[C@@H](c2ccccc2)C1 ZINC000261808392 146279848 /nfs/dbraw/zinc/27/98/48/146279848.db2.gz GDKSBAVCXHACKN-RTBURBONSA-N 2 1 323.440 2.592 20 0 DFADMP C[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000261814185 146281135 /nfs/dbraw/zinc/28/11/35/146281135.db2.gz MALSKJNQHAACDZ-OWCLPIDISA-N 2 1 317.477 2.518 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1c1ccccc1 ZINC000261838751 146287831 /nfs/dbraw/zinc/28/78/31/146287831.db2.gz UHWRHEODJGGPNS-CVEARBPZSA-N 2 1 324.384 2.504 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2nc(-c3ccoc3)no2)C[C@H]1c1ccccc1 ZINC000261838751 146287833 /nfs/dbraw/zinc/28/78/33/146287833.db2.gz UHWRHEODJGGPNS-CVEARBPZSA-N 2 1 324.384 2.504 20 0 DFADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000261899498 146297905 /nfs/dbraw/zinc/29/79/05/146297905.db2.gz HOSDOQNHXHCEIG-GUDVDZBRSA-N 2 1 302.462 2.593 20 0 DFADMP Cc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261898012 146298109 /nfs/dbraw/zinc/29/81/09/146298109.db2.gz HIWOKGBYFDLXBA-TVFCKZIOSA-N 2 1 318.461 2.509 20 0 DFADMP CC(C)C[N@@H+](C[C@@H](O)c1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261912097 146299873 /nfs/dbraw/zinc/29/98/73/146299873.db2.gz YMLYGPXHGVQMBR-MSOLQXFVSA-N 2 1 308.441 2.817 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[NH+]1CCC(C[NH2+]C)CC1 ZINC000261920436 146301780 /nfs/dbraw/zinc/30/17/80/146301780.db2.gz HTHCQEWGSNCPOQ-UHFFFAOYSA-N 2 1 304.434 2.719 20 0 DFADMP c1coc(-c2cc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)no2)c1 ZINC000261926342 146303241 /nfs/dbraw/zinc/30/32/41/146303241.db2.gz IQXIGXFDTBOIOT-HNNXBMFYSA-N 2 1 301.390 2.899 20 0 DFADMP c1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261933511 146304445 /nfs/dbraw/zinc/30/44/45/146304445.db2.gz MABSVCCTXMJAEW-BRWVUGGUSA-N 2 1 306.475 2.525 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3nc4ccc(F)cc4s3)C[C@@H]21 ZINC000261952957 146308991 /nfs/dbraw/zinc/30/89/91/146308991.db2.gz OEJHMGSSAFOABE-WCFLWFBJSA-N 2 1 305.422 2.995 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3nc4ccc(F)cc4s3)C[C@@H]21 ZINC000261952957 146308992 /nfs/dbraw/zinc/30/89/92/146308992.db2.gz OEJHMGSSAFOABE-WCFLWFBJSA-N 2 1 305.422 2.995 20 0 DFADMP C[C@]1(C[N@@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000261947212 146309409 /nfs/dbraw/zinc/30/94/09/146309409.db2.gz FLZSUNPNGQYHTN-MSOLQXFVSA-N 2 1 306.425 2.806 20 0 DFADMP C[C@]1(C[N@H+](Cc2cccc(F)c2)C[C@H]2CCCO2)CC[NH2+]C1 ZINC000261947212 146309413 /nfs/dbraw/zinc/30/94/13/146309413.db2.gz FLZSUNPNGQYHTN-MSOLQXFVSA-N 2 1 306.425 2.806 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@@]2(C)CC[NH2+]C2)CC1)CC1CC1 ZINC000261978948 146313864 /nfs/dbraw/zinc/31/38/64/146313864.db2.gz IYSYZYGJMVMSID-IBGZPJMESA-N 3 1 307.526 2.820 20 0 DFADMP CC[N@H+](CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1)CC1CC1 ZINC000261978948 146313865 /nfs/dbraw/zinc/31/38/65/146313865.db2.gz IYSYZYGJMVMSID-IBGZPJMESA-N 2 1 307.526 2.820 20 0 DFADMP CC[N@@H+](CCC1CCN(C[C@@]2(C)CC[NH2+]C2)CC1)CC1CC1 ZINC000261978948 146313866 /nfs/dbraw/zinc/31/38/66/146313866.db2.gz IYSYZYGJMVMSID-IBGZPJMESA-N 2 1 307.526 2.820 20 0 DFADMP Cc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261981477 146316023 /nfs/dbraw/zinc/31/60/23/146316023.db2.gz RSTODPNOGWPULI-LULLPPNCSA-N 2 1 318.461 2.509 20 0 DFADMP CCOc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)ccc1OC ZINC000261992933 146319276 /nfs/dbraw/zinc/31/92/76/146319276.db2.gz KLTUWBDFKXFJCS-UHFFFAOYSA-N 2 1 304.434 2.669 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000261993124 146319326 /nfs/dbraw/zinc/31/93/26/146319326.db2.gz KNRAWYXZWWXWCR-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000261993124 146319332 /nfs/dbraw/zinc/31/93/32/146319332.db2.gz KNRAWYXZWWXWCR-SFHVURJKSA-N 2 1 304.434 2.669 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261997153 146319644 /nfs/dbraw/zinc/31/96/44/146319644.db2.gz UEZFHTAALTYQOM-OTWHNJEPSA-N 2 1 318.461 2.722 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1OC(F)F ZINC000262019490 146323597 /nfs/dbraw/zinc/32/35/97/146323597.db2.gz XIUUNEZMECQHDE-GFCCVEGCSA-N 2 1 314.376 2.857 20 0 DFADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000262038462 146325791 /nfs/dbraw/zinc/32/57/91/146325791.db2.gz YGESVIRWWPPORW-GZBLMMOJSA-N 2 1 320.399 2.854 20 0 DFADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000262038463 146326113 /nfs/dbraw/zinc/32/61/13/146326113.db2.gz YGESVIRWWPPORW-KHMAMNHCSA-N 2 1 320.399 2.854 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)s2)cn1 ZINC000262050878 146326917 /nfs/dbraw/zinc/32/69/17/146326917.db2.gz QEPSOTLOFZQIAM-UHFFFAOYSA-N 2 1 316.474 2.724 20 0 DFADMP CCc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262052665 146327618 /nfs/dbraw/zinc/32/76/18/146327618.db2.gz ZUFMKEONXUTNBE-OTWHNJEPSA-N 2 1 302.462 2.538 20 0 DFADMP COc1cc(Cl)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000262047251 146327697 /nfs/dbraw/zinc/32/76/97/146327697.db2.gz ZGDPITGDDUQNKN-OAGGEKHMSA-N 2 1 324.852 2.595 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C[C@H]21 ZINC000262066704 146329619 /nfs/dbraw/zinc/32/96/19/146329619.db2.gz FOTIPAQSDPGYFY-UMVBOHGHSA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C[C@H]21 ZINC000262066704 146329621 /nfs/dbraw/zinc/32/96/21/146329621.db2.gz FOTIPAQSDPGYFY-UMVBOHGHSA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCO4)C[C@@H]21 ZINC000262066702 146330021 /nfs/dbraw/zinc/33/00/21/146330021.db2.gz FOTIPAQSDPGYFY-KCQAQPDRSA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCO4)C[C@@H]21 ZINC000262066702 146330023 /nfs/dbraw/zinc/33/00/23/146330023.db2.gz FOTIPAQSDPGYFY-KCQAQPDRSA-N 2 1 322.836 2.670 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262080030 146331011 /nfs/dbraw/zinc/33/10/11/146331011.db2.gz DWSUORUTUODFGJ-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000262080030 146331014 /nfs/dbraw/zinc/33/10/14/146331014.db2.gz DWSUORUTUODFGJ-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP c1ccc(COc2ccccc2C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000262134634 146338143 /nfs/dbraw/zinc/33/81/43/146338143.db2.gz YPUDOVCTXPFNBY-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP c1ccc(COc2ccccc2C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)nc1 ZINC000262134634 146338146 /nfs/dbraw/zinc/33/81/46/146338146.db2.gz YPUDOVCTXPFNBY-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP FC(F)(F)c1cc([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)[nH]n1 ZINC000262224160 146343681 /nfs/dbraw/zinc/34/36/81/146343681.db2.gz NAKPPRFUHLGERX-GFCCVEGCSA-N 2 1 316.371 2.608 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2ccccc2F)C[C@H]1c1ccccc1 ZINC000262281127 146348041 /nfs/dbraw/zinc/34/80/41/146348041.db2.gz UQAUKVCWXJYCLP-SJORKVTESA-N 2 1 314.404 2.879 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H](C[NH3+])C[C@H]2C)ccc1OC(F)F ZINC000262323496 146351526 /nfs/dbraw/zinc/35/15/26/146351526.db2.gz RIUJWCNOTDMYOM-DGCLKSJQSA-N 2 1 314.376 2.856 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[NH2+]CC23CCCCC3)c1C ZINC000262367051 146354839 /nfs/dbraw/zinc/35/48/39/146354839.db2.gz XDTPLJZGDYSFDC-UHFFFAOYSA-N 2 1 303.450 2.815 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262388312 146355560 /nfs/dbraw/zinc/35/55/60/146355560.db2.gz ZKGAERIGOUDILB-NOLJZWGESA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1Cl ZINC000262388312 146355561 /nfs/dbraw/zinc/35/55/61/146355561.db2.gz ZKGAERIGOUDILB-NOLJZWGESA-N 2 1 321.852 2.646 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000262710871 146384015 /nfs/dbraw/zinc/38/40/15/146384015.db2.gz QLDJYTXYFFMQJZ-JZXOWHBKSA-N 2 1 309.498 2.617 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1 ZINC000354380286 147015379 /nfs/dbraw/zinc/01/53/79/147015379.db2.gz HAZWDAZAONVWJY-UHFFFAOYSA-N 2 1 303.450 2.516 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000354408079 147025335 /nfs/dbraw/zinc/02/53/35/147025335.db2.gz LFFRPFOJIFHJBP-LPHOPBHVSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000354408079 147025338 /nfs/dbraw/zinc/02/53/38/147025338.db2.gz LFFRPFOJIFHJBP-LPHOPBHVSA-N 2 1 302.462 2.792 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCCCn2cc[nH+]c2C)[C@@H]1C ZINC000354511920 147064354 /nfs/dbraw/zinc/06/43/54/147064354.db2.gz NYCPNPKGPKIKBD-KBMXLJTQSA-N 2 1 307.438 2.539 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000354533412 147070274 /nfs/dbraw/zinc/07/02/74/147070274.db2.gz COOBCLWNUYLOEB-SQNIBIBYSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000354533412 147070278 /nfs/dbraw/zinc/07/02/78/147070278.db2.gz COOBCLWNUYLOEB-SQNIBIBYSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2cccc(C)c2)C[C@H]1C ZINC000354533412 147070286 /nfs/dbraw/zinc/07/02/86/147070286.db2.gz COOBCLWNUYLOEB-SQNIBIBYSA-N 2 1 320.477 2.539 20 0 DFADMP CCN(CCC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)CC(F)(F)F ZINC000354824655 147165383 /nfs/dbraw/zinc/16/53/83/147165383.db2.gz ZHEYOTBNSAJGOV-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1)CC(F)(F)F ZINC000354824655 147165388 /nfs/dbraw/zinc/16/53/88/147165388.db2.gz ZHEYOTBNSAJGOV-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000354824655 147165390 /nfs/dbraw/zinc/16/53/90/147165390.db2.gz ZHEYOTBNSAJGOV-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1)CC(F)(F)F ZINC000354824655 147165394 /nfs/dbraw/zinc/16/53/94/147165394.db2.gz ZHEYOTBNSAJGOV-GJZGRUSLSA-N 2 1 321.431 2.677 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354874611 147186455 /nfs/dbraw/zinc/18/64/55/147186455.db2.gz ACRZXCRFWGCPSX-IYBDPMFKSA-N 2 1 321.509 2.654 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354874611 147186457 /nfs/dbraw/zinc/18/64/57/147186457.db2.gz ACRZXCRFWGCPSX-IYBDPMFKSA-N 2 1 321.509 2.654 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354874611 147186460 /nfs/dbraw/zinc/18/64/60/147186460.db2.gz ACRZXCRFWGCPSX-IYBDPMFKSA-N 2 1 321.509 2.654 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@@H]1c1ccccc1 ZINC000559773584 543444983 /nfs/dbraw/zinc/44/49/83/543444983.db2.gz AEKWUUZBEFQTST-NXWXRZEISA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@@H]1c1ccccc1 ZINC000559773584 543444984 /nfs/dbraw/zinc/44/49/84/543444984.db2.gz AEKWUUZBEFQTST-NXWXRZEISA-N 2 1 302.462 2.963 20 0 DFADMP COC[C@H](C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094107 543459961 /nfs/dbraw/zinc/45/99/61/543459961.db2.gz BJGTVVOVIZOGFM-QRQLOZEOSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094107 543459962 /nfs/dbraw/zinc/45/99/62/543459962.db2.gz BJGTVVOVIZOGFM-QRQLOZEOSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094107 543459964 /nfs/dbraw/zinc/45/99/64/543459964.db2.gz BJGTVVOVIZOGFM-QRQLOZEOSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)OC ZINC000585094107 543459966 /nfs/dbraw/zinc/45/99/66/543459966.db2.gz BJGTVVOVIZOGFM-QRQLOZEOSA-N 2 1 320.477 2.633 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000357718203 148095942 /nfs/dbraw/zinc/09/59/42/148095942.db2.gz WKBWTFXNBSPLNC-BZUAXINKSA-N 2 1 323.525 2.922 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CCC3(CCCCC3)O2)CC1 ZINC000357795906 148125879 /nfs/dbraw/zinc/12/58/79/148125879.db2.gz GFLKMHUHDNBZEP-KRWDZBQOSA-N 2 1 310.482 2.569 20 0 DFADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000358000091 148205012 /nfs/dbraw/zinc/20/50/12/148205012.db2.gz BISRTLHJTKARRB-YJBOKZPZSA-N 2 1 317.477 2.646 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000358048711 148225881 /nfs/dbraw/zinc/22/58/81/148225881.db2.gz PYIWJSCQHPEAFU-UONOGXRCSA-N 2 1 316.474 2.677 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000358067082 148231224 /nfs/dbraw/zinc/23/12/24/148231224.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358067082 148231226 /nfs/dbraw/zinc/23/12/26/148231226.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358067082 148231230 /nfs/dbraw/zinc/23/12/30/148231230.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000358067082 148231233 /nfs/dbraw/zinc/23/12/33/148231233.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c1 ZINC000358067082 148231237 /nfs/dbraw/zinc/23/12/37/148231237.db2.gz WGZIWECNGXFCAR-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000358067077 148231704 /nfs/dbraw/zinc/23/17/04/148231704.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358067077 148231707 /nfs/dbraw/zinc/23/17/07/148231707.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358067077 148231710 /nfs/dbraw/zinc/23/17/10/148231710.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)c1 ZINC000358067077 148231712 /nfs/dbraw/zinc/23/17/12/148231712.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)C[C@H]2C)c1 ZINC000358067077 148231715 /nfs/dbraw/zinc/23/17/15/148231715.db2.gz WGZIWECNGXFCAR-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CSc1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000358074442 148234280 /nfs/dbraw/zinc/23/42/80/148234280.db2.gz HBNQRFNDBZXFRO-UHFFFAOYSA-N 2 1 321.534 2.866 20 0 DFADMP CO[C@@](C)(C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000638006219 543496761 /nfs/dbraw/zinc/49/67/61/543496761.db2.gz GDNPIUFQWDGCKQ-YJBOKZPZSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@@](C)(C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000638006219 543496762 /nfs/dbraw/zinc/49/67/62/543496762.db2.gz GDNPIUFQWDGCKQ-YJBOKZPZSA-N 2 1 303.450 2.939 20 0 DFADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110568 148247920 /nfs/dbraw/zinc/24/79/20/148247920.db2.gz KNCBUJHRUZGCQF-NCOADZHNSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000358133763 148256201 /nfs/dbraw/zinc/25/62/01/148256201.db2.gz QRMRJJNTLJPRNV-BEFAXECRSA-N 2 1 323.440 2.711 20 0 DFADMP Cc1ccc(-c2cccc(C[NH2+]C[C@@]3(O)CC[N@@H+](C)C3)c2)cc1 ZINC000358171505 148269832 /nfs/dbraw/zinc/26/98/32/148269832.db2.gz TZPZGBFMLUMYIX-FQEVSTJZSA-N 2 1 310.441 2.818 20 0 DFADMP Cc1ccc(-c2cccc(C[NH2+]C[C@@]3(O)CC[N@H+](C)C3)c2)cc1 ZINC000358171505 148269836 /nfs/dbraw/zinc/26/98/36/148269836.db2.gz TZPZGBFMLUMYIX-FQEVSTJZSA-N 2 1 310.441 2.818 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)c2ccccc12 ZINC000358249668 148303366 /nfs/dbraw/zinc/30/33/66/148303366.db2.gz KTXZSEIKOKBUSR-AUUYWEPGSA-N 2 1 314.429 2.566 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)c2ccccc12 ZINC000358249668 148303368 /nfs/dbraw/zinc/30/33/68/148303368.db2.gz KTXZSEIKOKBUSR-AUUYWEPGSA-N 2 1 314.429 2.566 20 0 DFADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358255936 148305820 /nfs/dbraw/zinc/30/58/20/148305820.db2.gz RBUBRDWGFXOTDL-YOEHRIQHSA-N 2 1 308.491 2.904 20 0 DFADMP CC(C)Sc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358255936 148305822 /nfs/dbraw/zinc/30/58/22/148305822.db2.gz RBUBRDWGFXOTDL-YOEHRIQHSA-N 2 1 308.491 2.904 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1ccc2c(c1)OCCO2 ZINC000358301372 148319795 /nfs/dbraw/zinc/31/97/95/148319795.db2.gz PMFUBKLXFCESSQ-INMHGKMJSA-N 2 1 318.461 2.709 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CC[C@@H]1COc2ccccc2O1 ZINC000358303486 148322436 /nfs/dbraw/zinc/32/24/36/148322436.db2.gz SERJPHQNIHGPEH-FPCVCCKLSA-N 2 1 304.434 2.535 20 0 DFADMP c1csc(-c2cnc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)o2)c1 ZINC000358521707 148382451 /nfs/dbraw/zinc/38/24/51/148382451.db2.gz YNHANXQCTPGRTD-UHFFFAOYSA-N 2 1 303.431 2.979 20 0 DFADMP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCCc4[nH+]ccn43)n2)cc1 ZINC000350392159 286033811 /nfs/dbraw/zinc/03/38/11/286033811.db2.gz BRFROABVBMXNEI-OAHLLOKOSA-N 2 1 323.400 2.920 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000358569647 148388445 /nfs/dbraw/zinc/38/84/45/148388445.db2.gz WRSPUWDKGQDEFJ-CGTJXYLNSA-N 2 1 317.477 2.524 20 0 DFADMP C[C@H](C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1Cl)C[NH+](C)C ZINC000425949901 296605530 /nfs/dbraw/zinc/60/55/30/296605530.db2.gz HYVVYCQQUYDVFS-CHWSQXEVSA-N 2 1 321.856 2.769 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCN4CCC4)[C@@H]3C2)cc1 ZINC000358572580 148389984 /nfs/dbraw/zinc/38/99/84/148389984.db2.gz QPHSBMPEPBQUTH-ZCNNSNEGSA-N 2 1 313.489 2.582 20 0 DFADMP C[N@H+](CCNc1cc[nH+]c2ccc(Br)cc12)C1CC1 ZINC000350711643 286076155 /nfs/dbraw/zinc/07/61/55/286076155.db2.gz FKTSDHJLYUMLNH-UHFFFAOYSA-N 2 1 320.234 2.925 20 0 DFADMP C[N@@H+](CCNc1cc[nH+]c2ccc(Br)cc12)C1CC1 ZINC000350711643 286076156 /nfs/dbraw/zinc/07/61/56/286076156.db2.gz FKTSDHJLYUMLNH-UHFFFAOYSA-N 2 1 320.234 2.925 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2cccc(NCc3cn4ccccc4n3)c2)C1 ZINC000361044069 149016472 /nfs/dbraw/zinc/01/64/72/149016472.db2.gz JRKGNSNKIGIVLZ-SFHVURJKSA-N 2 1 322.412 2.513 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2CCCc1ccsc1 ZINC000361084880 149025364 /nfs/dbraw/zinc/02/53/64/149025364.db2.gz BVTBYMQHJVOYSS-BRWVUGGUSA-N 2 1 308.491 2.864 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](c1cccnc1)C(C)(C)CO ZINC000660638972 543529256 /nfs/dbraw/zinc/52/92/56/543529256.db2.gz OKVBETQFBSNEKR-QGZVFWFLSA-N 2 1 316.449 2.716 20 0 DFADMP C[C@@H](CC[NH2+]Cc1cn(C)nc1C(F)F)[NH+]1CCCCC1 ZINC000361136282 149036557 /nfs/dbraw/zinc/03/65/57/149036557.db2.gz NBNLMRFUAVGHRF-LBPRGKRZSA-N 2 1 300.397 2.712 20 0 DFADMP Cc1csc(N2CCC([NH2+]CCCn3cc[nH+]c3C)CC2)n1 ZINC000361271277 149071398 /nfs/dbraw/zinc/07/13/98/149071398.db2.gz JWPFAXBQKYHAHJ-UHFFFAOYSA-N 2 1 319.478 2.605 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000361482701 149126516 /nfs/dbraw/zinc/12/65/16/149126516.db2.gz YNMRYZJUIQADCK-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000361482701 149126518 /nfs/dbraw/zinc/12/65/18/149126518.db2.gz YNMRYZJUIQADCK-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000361482701 149126520 /nfs/dbraw/zinc/12/65/20/149126520.db2.gz YNMRYZJUIQADCK-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000361482701 149126523 /nfs/dbraw/zinc/12/65/23/149126523.db2.gz YNMRYZJUIQADCK-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000361482701 149126524 /nfs/dbraw/zinc/12/65/24/149126524.db2.gz YNMRYZJUIQADCK-NZSAHSFTSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1cccc(CCC[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)c1 ZINC000350836799 286094620 /nfs/dbraw/zinc/09/46/20/286094620.db2.gz OTBDXIPEFGPWNJ-KRWDZBQOSA-N 2 1 304.478 2.705 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CCC[NH+]2CCCC2)n1 ZINC000361946150 149262365 /nfs/dbraw/zinc/26/23/65/149262365.db2.gz SPBHKULHJIJWRG-GOSISDBHSA-N 2 1 304.482 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000362030355 149280864 /nfs/dbraw/zinc/28/08/64/149280864.db2.gz WFVKUBBGTYXQGX-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000362030355 149280867 /nfs/dbraw/zinc/28/08/67/149280867.db2.gz WFVKUBBGTYXQGX-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000362030355 149280870 /nfs/dbraw/zinc/28/08/70/149280870.db2.gz WFVKUBBGTYXQGX-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000362030355 149280871 /nfs/dbraw/zinc/28/08/71/149280871.db2.gz WFVKUBBGTYXQGX-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC000350949256 286101535 /nfs/dbraw/zinc/10/15/35/286101535.db2.gz KOZYTAMKUPYWID-AWEZNQCLSA-N 2 1 321.440 2.735 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000351250572 286117540 /nfs/dbraw/zinc/11/75/40/286117540.db2.gz JRNOZVXMLFZTAJ-HOTGVXAUSA-N 2 1 323.506 2.732 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000351250573 286117556 /nfs/dbraw/zinc/11/75/56/286117556.db2.gz JRNOZVXMLFZTAJ-HZPDHXFCSA-N 2 1 323.506 2.732 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@]1(CO)CCCc2ccccc21 ZINC000367098437 149545007 /nfs/dbraw/zinc/54/50/07/149545007.db2.gz GOFCPBBELXCHJN-IBGZPJMESA-N 2 1 313.445 2.785 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@H]12 ZINC000351474112 286128914 /nfs/dbraw/zinc/12/89/14/286128914.db2.gz FGQZWNRDXKZQRK-FHLIZLRMSA-N 2 1 322.456 2.530 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@H]12 ZINC000351474112 286128917 /nfs/dbraw/zinc/12/89/17/286128917.db2.gz FGQZWNRDXKZQRK-FHLIZLRMSA-N 2 1 322.456 2.530 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351477140 286129711 /nfs/dbraw/zinc/12/97/11/286129711.db2.gz MJSBOBQBPXSOMZ-OKZBNKHCSA-N 2 1 323.525 2.576 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351477140 286129713 /nfs/dbraw/zinc/12/97/13/286129713.db2.gz MJSBOBQBPXSOMZ-OKZBNKHCSA-N 2 1 323.525 2.576 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]12 ZINC000351482139 286131608 /nfs/dbraw/zinc/13/16/08/286131608.db2.gz ZBLNUVYASXVFID-NORZTCDRSA-N 2 1 319.355 2.789 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]12 ZINC000351482139 286131609 /nfs/dbraw/zinc/13/16/09/286131609.db2.gz ZBLNUVYASXVFID-NORZTCDRSA-N 2 1 319.355 2.789 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351490599 286133999 /nfs/dbraw/zinc/13/39/99/286133999.db2.gz IMDWKDGYRYPHJF-LUKYLMHMSA-N 2 1 315.461 2.608 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c(C)c1 ZINC000351490599 286134001 /nfs/dbraw/zinc/13/40/01/286134001.db2.gz IMDWKDGYRYPHJF-LUKYLMHMSA-N 2 1 315.461 2.608 20 0 DFADMP CC(C)COc1cccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c1 ZINC000351502709 286137651 /nfs/dbraw/zinc/13/76/51/286137651.db2.gz MYCZTGUYSQFIRI-UHFFFAOYSA-N 2 1 320.477 2.658 20 0 DFADMP C[NH+](C)CCOC1CC[NH+](Cc2cccc(O)c2Cl)CC1 ZINC000351509878 286139607 /nfs/dbraw/zinc/13/96/07/286139607.db2.gz NUTIDNKRSHTJCR-UHFFFAOYSA-N 2 1 312.841 2.588 20 0 DFADMP Cc1ccc([C@@H]2CCCCCN2C[C@@H](O)C[N@H+](C)C2CC2)o1 ZINC000351512620 286140255 /nfs/dbraw/zinc/14/02/55/286140255.db2.gz HJNNTZVRFRDVIJ-IRXDYDNUSA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@@H]2CCCCC[N@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351512620 286140259 /nfs/dbraw/zinc/14/02/59/286140259.db2.gz HJNNTZVRFRDVIJ-IRXDYDNUSA-N 2 1 306.450 2.960 20 0 DFADMP Cc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H](O)CN(C)C2CC2)o1 ZINC000351512620 286140263 /nfs/dbraw/zinc/14/02/63/286140263.db2.gz HJNNTZVRFRDVIJ-IRXDYDNUSA-N 2 1 306.450 2.960 20 0 DFADMP Fc1ccc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000371198371 150001077 /nfs/dbraw/zinc/00/10/77/150001077.db2.gz MVCZOWMVGKMQTC-UHFFFAOYSA-N 2 1 305.441 2.824 20 0 DFADMP Fc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)cc1 ZINC000371198371 150001079 /nfs/dbraw/zinc/00/10/79/150001079.db2.gz MVCZOWMVGKMQTC-UHFFFAOYSA-N 2 1 305.441 2.824 20 0 DFADMP Cc1nn(C)cc1[C@H]1CCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000371206213 150004253 /nfs/dbraw/zinc/00/42/53/150004253.db2.gz XOFKCQDIZKUSRP-QGZVFWFLSA-N 2 1 301.438 2.851 20 0 DFADMP Cc1nn(C)cc1[C@H]1CCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000371206213 150004255 /nfs/dbraw/zinc/00/42/55/150004255.db2.gz XOFKCQDIZKUSRP-QGZVFWFLSA-N 2 1 301.438 2.851 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCSc1ccccc1 ZINC000371292452 150016828 /nfs/dbraw/zinc/01/68/28/150016828.db2.gz CAWJPZGEXNDNQI-BPQIPLTHSA-N 2 1 320.502 2.962 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000371347907 150028354 /nfs/dbraw/zinc/02/83/54/150028354.db2.gz PRNGSEVBSAKZLJ-XLIONFOSSA-N 2 1 324.472 2.721 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000371347907 150028356 /nfs/dbraw/zinc/02/83/56/150028356.db2.gz PRNGSEVBSAKZLJ-XLIONFOSSA-N 2 1 324.472 2.721 20 0 DFADMP C[C@@H](C[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371425603 150045731 /nfs/dbraw/zinc/04/57/31/150045731.db2.gz TXHJRGJJUADSIC-PXNSSMCTSA-N 2 1 315.505 2.890 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@H]3C)CC2)n1 ZINC000371449888 150049610 /nfs/dbraw/zinc/04/96/10/150049610.db2.gz IWGOJKXJONLRDQ-IGFOULAYSA-N 2 1 306.454 2.723 20 0 DFADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000371689004 150080922 /nfs/dbraw/zinc/08/09/22/150080922.db2.gz LVTGTEFPECCYDL-BBWFWOEESA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000351575690 286158411 /nfs/dbraw/zinc/15/84/11/286158411.db2.gz SXOUFKVYVZCREC-KXBFYZLASA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000351575690 286158412 /nfs/dbraw/zinc/15/84/12/286158412.db2.gz SXOUFKVYVZCREC-KXBFYZLASA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1cccc(F)c1 ZINC000371985123 150120991 /nfs/dbraw/zinc/12/09/91/150120991.db2.gz QRDKDVIXYRJIPM-ATZDWAIDSA-N 2 1 320.452 2.847 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372048003 150129073 /nfs/dbraw/zinc/12/90/73/150129073.db2.gz WGLSTDNYGRUNSL-ZJPYXAASSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000372048003 150129076 /nfs/dbraw/zinc/12/90/76/150129076.db2.gz WGLSTDNYGRUNSL-ZJPYXAASSA-N 2 1 312.498 2.671 20 0 DFADMP CCc1ccccc1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000372460097 150175839 /nfs/dbraw/zinc/17/58/39/150175839.db2.gz MIEMMQRCFSFAKL-SFHVURJKSA-N 2 1 315.505 2.708 20 0 DFADMP CSC[C@@H](O)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372922629 150203030 /nfs/dbraw/zinc/20/30/30/150203030.db2.gz IZPBODNYYUMFEB-ROUUACIJSA-N 2 1 322.518 2.697 20 0 DFADMP CSC[C@@H](O)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000372922629 150203034 /nfs/dbraw/zinc/20/30/34/150203034.db2.gz IZPBODNYYUMFEB-ROUUACIJSA-N 2 1 322.518 2.697 20 0 DFADMP CSC[C@@H](O)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000372922629 150203035 /nfs/dbraw/zinc/20/30/35/150203035.db2.gz IZPBODNYYUMFEB-ROUUACIJSA-N 2 1 322.518 2.697 20 0 DFADMP CC[C@H](C[N@H+](CC)C[C@@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000351609652 286168321 /nfs/dbraw/zinc/16/83/21/286168321.db2.gz LVPVLNWJWBYXMR-APWZRJJASA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@H](C[N@@H+](CC)C[C@@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000351609652 286168322 /nfs/dbraw/zinc/16/83/22/286168322.db2.gz LVPVLNWJWBYXMR-APWZRJJASA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@H](C[NH+](CC)C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000351609652 286168323 /nfs/dbraw/zinc/16/83/23/286168323.db2.gz LVPVLNWJWBYXMR-APWZRJJASA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@H](C[NH+](CC)C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000351609652 286168324 /nfs/dbraw/zinc/16/83/24/286168324.db2.gz LVPVLNWJWBYXMR-APWZRJJASA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H](C[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000351609654 286168382 /nfs/dbraw/zinc/16/83/82/286168382.db2.gz LVPVLNWJWBYXMR-QFBILLFUSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H](C[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000351609654 286168383 /nfs/dbraw/zinc/16/83/83/286168383.db2.gz LVPVLNWJWBYXMR-QFBILLFUSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H](C[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000351609654 286168384 /nfs/dbraw/zinc/16/83/84/286168384.db2.gz LVPVLNWJWBYXMR-QFBILLFUSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@@H](C[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000351609654 286168385 /nfs/dbraw/zinc/16/83/85/286168385.db2.gz LVPVLNWJWBYXMR-QFBILLFUSA-N 2 1 304.478 2.957 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000373114806 150233134 /nfs/dbraw/zinc/23/31/34/150233134.db2.gz DODTWMOJPNMLPG-WMZOPIPTSA-N 2 1 319.449 2.667 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000373114806 150233137 /nfs/dbraw/zinc/23/31/37/150233137.db2.gz DODTWMOJPNMLPG-WMZOPIPTSA-N 2 1 319.449 2.667 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373165575 150240634 /nfs/dbraw/zinc/24/06/34/150240634.db2.gz JFEJMYWEFUZBRI-NVXWUHKLSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@H](c1ccccc1F)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000373165575 150240637 /nfs/dbraw/zinc/24/06/37/150240637.db2.gz JFEJMYWEFUZBRI-NVXWUHKLSA-N 2 1 319.468 2.987 20 0 DFADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@H]1CC[N@H+](C)[C@H]1c1cccs1)C2 ZINC000373182835 150242800 /nfs/dbraw/zinc/24/28/00/150242800.db2.gz MCRXJVCJYDYLGO-RNIUXLFRSA-N 3 1 319.518 2.956 20 0 DFADMP C[NH+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1cccs1 ZINC000373182835 150242804 /nfs/dbraw/zinc/24/28/04/150242804.db2.gz MCRXJVCJYDYLGO-RNIUXLFRSA-N 2 1 319.518 2.956 20 0 DFADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CC[N@H+](C)[C@@H]1c1cccs1)C2 ZINC000373182834 150242985 /nfs/dbraw/zinc/24/29/85/150242985.db2.gz MCRXJVCJYDYLGO-DOEQRONASA-N 3 1 319.518 2.956 20 0 DFADMP C[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@H]1c1cccs1 ZINC000373182834 150242991 /nfs/dbraw/zinc/24/29/91/150242991.db2.gz MCRXJVCJYDYLGO-DOEQRONASA-N 2 1 319.518 2.956 20 0 DFADMP Cc1noc(C2CCC([NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)n1 ZINC000373206526 150247371 /nfs/dbraw/zinc/24/73/71/150247371.db2.gz NRZSTNZSODODSC-SVFSVNPNSA-N 2 1 304.438 2.619 20 0 DFADMP Brc1c[nH+]ccc1NC1CC([NH+]2CCCCC2)C1 ZINC000373958300 150284421 /nfs/dbraw/zinc/28/44/21/150284421.db2.gz KXNJCQIMLCRVKT-UHFFFAOYSA-N 2 1 310.239 2.695 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000374050678 150300332 /nfs/dbraw/zinc/30/03/32/150300332.db2.gz OKRDDSLCSMASSC-FUHWJXTLSA-N 2 1 317.408 2.837 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@@H](O)c1ccc(F)cc1C ZINC000374050678 150300335 /nfs/dbraw/zinc/30/03/35/150300335.db2.gz OKRDDSLCSMASSC-FUHWJXTLSA-N 2 1 317.408 2.837 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374173282 150316950 /nfs/dbraw/zinc/31/69/50/150316950.db2.gz MVEGEHCMUWLQOP-OWLYRPNTSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@@H]1O ZINC000374173282 150316953 /nfs/dbraw/zinc/31/69/53/150316953.db2.gz MVEGEHCMUWLQOP-OWLYRPNTSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374171147 150317125 /nfs/dbraw/zinc/31/71/25/150317125.db2.gz IMUATFVKPKAEBG-UHFFFAOYSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374171147 150317126 /nfs/dbraw/zinc/31/71/26/150317126.db2.gz IMUATFVKPKAEBG-UHFFFAOYSA-N 3 1 304.482 2.780 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374171147 150317129 /nfs/dbraw/zinc/31/71/29/150317129.db2.gz IMUATFVKPKAEBG-UHFFFAOYSA-N 3 1 304.482 2.780 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374298359 150340068 /nfs/dbraw/zinc/34/00/68/150340068.db2.gz WCNNNDHYBTYSJX-HNNXBMFYSA-N 2 1 308.466 2.524 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374428849 150366234 /nfs/dbraw/zinc/36/62/34/150366234.db2.gz NHOSWESXIZROEN-YTQUADARSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000374428849 150366238 /nfs/dbraw/zinc/36/62/38/150366238.db2.gz NHOSWESXIZROEN-YTQUADARSA-N 2 1 318.461 2.769 20 0 DFADMP CCOC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000354558826 286179572 /nfs/dbraw/zinc/17/95/72/286179572.db2.gz AOCYXAUAYBQBJM-MSOLQXFVSA-N 2 1 324.509 2.816 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@H](c3cccnc3)C2)CCOCC1 ZINC000375592936 150473739 /nfs/dbraw/zinc/47/37/39/150473739.db2.gz VLZCVVNFLJANSF-WMZOPIPTSA-N 2 1 317.477 2.808 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000351690752 286194745 /nfs/dbraw/zinc/19/47/45/286194745.db2.gz GCACYGSYFWJWQK-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP C[N@H+](Cc1ccc2c(c1)OC(F)(F)O2)CC1CC[NH+](C)CC1 ZINC000352014657 286269957 /nfs/dbraw/zinc/26/99/57/286269957.db2.gz NTHXYUKQWJMZRO-UHFFFAOYSA-N 2 1 312.360 2.782 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[N@@H+]1C ZINC000352015168 286270228 /nfs/dbraw/zinc/27/02/28/286270228.db2.gz PHGLKIDOIXEIKT-WCQYABFASA-N 2 1 312.360 2.923 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[N@H+]1C ZINC000352015168 286270229 /nfs/dbraw/zinc/27/02/29/286270229.db2.gz PHGLKIDOIXEIKT-WCQYABFASA-N 2 1 312.360 2.923 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[NH+]1C ZINC000352015168 286270230 /nfs/dbraw/zinc/27/02/30/286270230.db2.gz PHGLKIDOIXEIKT-WCQYABFASA-N 2 1 312.360 2.923 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)OC(F)(F)O3)CC[NH+]1C ZINC000352015168 286270232 /nfs/dbraw/zinc/27/02/32/286270232.db2.gz PHGLKIDOIXEIKT-WCQYABFASA-N 2 1 312.360 2.923 20 0 DFADMP COC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1 ZINC000352024824 286272737 /nfs/dbraw/zinc/27/27/37/286272737.db2.gz JFLFBLOEVIULOK-CVEARBPZSA-N 2 1 319.449 2.712 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000352051813 286280294 /nfs/dbraw/zinc/28/02/94/286280294.db2.gz FNZRZHUYSGICKJ-BPQIPLTHSA-N 2 1 321.509 2.628 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C12CCCCC2 ZINC000369433028 286290411 /nfs/dbraw/zinc/29/04/11/286290411.db2.gz CCWCQPPWCWVRCQ-BZUAXINKSA-N 2 1 303.450 2.915 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352137775 286301785 /nfs/dbraw/zinc/30/17/85/286301785.db2.gz QNBSGSVDKPRGAT-OKILXGFUSA-N 2 1 314.424 2.606 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352137775 286301788 /nfs/dbraw/zinc/30/17/88/286301788.db2.gz QNBSGSVDKPRGAT-OKILXGFUSA-N 2 1 314.424 2.606 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000352407173 286365602 /nfs/dbraw/zinc/36/56/02/286365602.db2.gz RZYNUZABEIXEQV-HNNXBMFYSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000352407173 286365603 /nfs/dbraw/zinc/36/56/03/286365603.db2.gz RZYNUZABEIXEQV-HNNXBMFYSA-N 2 1 308.441 2.535 20 0 DFADMP [NH3+]CCC[N@@H+](CC(=O)Nc1cccc(F)c1)CC1CCCC1 ZINC000352487749 286385981 /nfs/dbraw/zinc/38/59/81/286385981.db2.gz IRBSBLADYAOIAI-UHFFFAOYSA-N 2 1 307.413 2.605 20 0 DFADMP [NH3+]CCC[N@H+](CC(=O)Nc1cccc(F)c1)CC1CCCC1 ZINC000352487749 286385982 /nfs/dbraw/zinc/38/59/82/286385982.db2.gz IRBSBLADYAOIAI-UHFFFAOYSA-N 2 1 307.413 2.605 20 0 DFADMP C[C@@H]1CCCC[C@H]1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352510503 286393256 /nfs/dbraw/zinc/39/32/56/286393256.db2.gz NTHSVXWLWBIVEO-NVXWUHKLSA-N 2 1 309.498 2.522 20 0 DFADMP CN(C)C(=O)c1cccc(C[N@@H+](CCC[NH3+])CC2CCCC2)c1 ZINC000352511573 286393811 /nfs/dbraw/zinc/39/38/11/286393811.db2.gz SJZPYEKUIKHTME-UHFFFAOYSA-N 2 1 317.477 2.729 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352519216 286396003 /nfs/dbraw/zinc/39/60/03/286396003.db2.gz MUQLHZAYSGXLPT-KRWDZBQOSA-N 2 1 309.498 2.619 20 0 DFADMP C[C@@H]1CCC[C@H](C)N1C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352524518 286397840 /nfs/dbraw/zinc/39/78/40/286397840.db2.gz BPGQGSBUTDKIOS-IYBDPMFKSA-N 2 1 309.498 2.617 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1cc(C(F)(F)F)n[nH]1)CC1CCCC1 ZINC000352526606 286398282 /nfs/dbraw/zinc/39/82/82/286398282.db2.gz POSNLVBVTTYFOK-UHFFFAOYSA-N 2 1 304.360 2.770 20 0 DFADMP [NH3+]CCC[N@H+](Cc1cc(C(F)(F)F)n[nH]1)CC1CCCC1 ZINC000352526606 286398283 /nfs/dbraw/zinc/39/82/83/286398283.db2.gz POSNLVBVTTYFOK-UHFFFAOYSA-N 2 1 304.360 2.770 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000352527233 286398472 /nfs/dbraw/zinc/39/84/72/286398472.db2.gz YAIIBBLNASBDDS-MRXNPFEDSA-N 2 1 302.397 2.715 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1Cc1cnn(-c2ccc(F)cc2)c1 ZINC000352527233 286398474 /nfs/dbraw/zinc/39/84/74/286398474.db2.gz YAIIBBLNASBDDS-MRXNPFEDSA-N 2 1 302.397 2.715 20 0 DFADMP Cc1cc2cc(C[NH+]3CCN([C@@H]4CC[NH2+]C4)CC3)oc2cc1C ZINC000352720522 286450792 /nfs/dbraw/zinc/45/07/92/286450792.db2.gz OUOREZQBQPNGBV-QGZVFWFLSA-N 2 1 313.445 2.529 20 0 DFADMP COC1CCC(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000352731305 286453228 /nfs/dbraw/zinc/45/32/28/286453228.db2.gz IZANAJJSAKYJLY-UHFFFAOYSA-N 2 1 311.495 2.890 20 0 DFADMP C[NH+](C)CC[C@H](NCc1ncc(C[NH+](C)C)s1)C(C)(C)C ZINC000352761279 286460357 /nfs/dbraw/zinc/46/03/57/286460357.db2.gz VHUFRZWYETYRFY-AWEZNQCLSA-N 2 1 312.527 2.661 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCc2[nH+]ccn2C1 ZINC000353006905 286526632 /nfs/dbraw/zinc/52/66/32/286526632.db2.gz IURSGJAOHJLZRW-OAHLLOKOSA-N 2 1 321.428 2.636 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000182821157 158007980 /nfs/dbraw/zinc/00/79/80/158007980.db2.gz XGZBCLCFBUMGGL-JZXOWHBKSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000182821157 158007983 /nfs/dbraw/zinc/00/79/83/158007983.db2.gz XGZBCLCFBUMGGL-JZXOWHBKSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000182821157 158007986 /nfs/dbraw/zinc/00/79/86/158007986.db2.gz XGZBCLCFBUMGGL-JZXOWHBKSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cccc2c(NC[C@H](C)[NH+]3CCN(C)CC3)c(C)c[nH+]c12 ZINC000185293170 158052536 /nfs/dbraw/zinc/05/25/36/158052536.db2.gz HMUNUTLTVBUFIJ-INIZCTEOSA-N 2 1 312.461 2.899 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@H](CC(C)C)[NH+](C)C)c1ccccc1 ZINC000246347097 158087647 /nfs/dbraw/zinc/08/76/47/158087647.db2.gz ITPYKKBDUUSGFV-ROUUACIJSA-N 2 1 319.493 2.772 20 0 DFADMP COc1cccc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000246810479 158100163 /nfs/dbraw/zinc/10/01/63/158100163.db2.gz NHECKXROPHMXKJ-YOEHRIQHSA-N 2 1 301.434 2.539 20 0 DFADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246837008 158102135 /nfs/dbraw/zinc/10/21/35/158102135.db2.gz BLGAGSSHIWNFPN-RDJZCZTQSA-N 2 1 320.481 2.741 20 0 DFADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000246837008 158102136 /nfs/dbraw/zinc/10/21/36/158102136.db2.gz BLGAGSSHIWNFPN-RDJZCZTQSA-N 2 1 320.481 2.741 20 0 DFADMP O=C1OCC[C@@H]1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246932488 158107544 /nfs/dbraw/zinc/10/75/44/158107544.db2.gz MSOPJPBMMRXNIA-IRXDYDNUSA-N 2 1 308.466 2.528 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246968499 158110315 /nfs/dbraw/zinc/11/03/15/158110315.db2.gz FYUWYNRXFZFPHP-NXHRZFHOSA-N 2 1 317.477 2.524 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@@H]1C[NH+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246968499 158110317 /nfs/dbraw/zinc/11/03/17/158110317.db2.gz FYUWYNRXFZFPHP-NXHRZFHOSA-N 2 1 317.477 2.524 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246968499 158110319 /nfs/dbraw/zinc/11/03/19/158110319.db2.gz FYUWYNRXFZFPHP-NXHRZFHOSA-N 2 1 317.477 2.524 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@@H]1C[N@H+](C(C)C)C[C@H]1C)c1ccccc1 ZINC000246968499 158110322 /nfs/dbraw/zinc/11/03/22/158110322.db2.gz FYUWYNRXFZFPHP-NXHRZFHOSA-N 2 1 317.477 2.524 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H](C)C2)N2CCCC2)o1 ZINC000247066264 158117722 /nfs/dbraw/zinc/11/77/22/158117722.db2.gz PXRHZTPUEKLCHQ-UAGQMJEPSA-N 2 1 305.466 2.797 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H](C)C2)N2CCCC2)o1 ZINC000247066264 158117723 /nfs/dbraw/zinc/11/77/23/158117723.db2.gz PXRHZTPUEKLCHQ-UAGQMJEPSA-N 2 1 305.466 2.797 20 0 DFADMP CC[C@H](C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000247130485 158119430 /nfs/dbraw/zinc/11/94/30/158119430.db2.gz ASLFRIZBISKIRY-SJLPKXTDSA-N 2 1 323.525 2.830 20 0 DFADMP O[C@H](C[N@@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000247173921 158121229 /nfs/dbraw/zinc/12/12/29/158121229.db2.gz UFAODSOQOQETPW-QZTJIDSGSA-N 2 1 306.425 2.809 20 0 DFADMP O[C@H](C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1)c1ccc(F)cc1 ZINC000247173921 158121232 /nfs/dbraw/zinc/12/12/32/158121232.db2.gz UFAODSOQOQETPW-QZTJIDSGSA-N 2 1 306.425 2.809 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000247477824 158138809 /nfs/dbraw/zinc/13/88/09/158138809.db2.gz VWAGOWFZNRDOIT-SJORKVTESA-N 2 1 311.514 2.734 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H](c2ccco2)N2CCCCC2)CC[N@H+]1C ZINC000247971786 158154493 /nfs/dbraw/zinc/15/44/93/158154493.db2.gz JLVJKFPHXHJOFG-IXDOHACOSA-N 2 1 305.466 2.879 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248036629 158159137 /nfs/dbraw/zinc/15/91/37/158159137.db2.gz RRVAVARMMSPTAP-RHSMWYFYSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248036629 158159138 /nfs/dbraw/zinc/15/91/38/158159138.db2.gz RRVAVARMMSPTAP-RHSMWYFYSA-N 2 1 319.424 2.570 20 0 DFADMP COC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198594 158163963 /nfs/dbraw/zinc/16/39/63/158163963.db2.gz XWUKTVQMEXXRHM-ZWKOTPCHSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198594 158163964 /nfs/dbraw/zinc/16/39/64/158163964.db2.gz XWUKTVQMEXXRHM-ZWKOTPCHSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248198594 158163965 /nfs/dbraw/zinc/16/39/65/158163965.db2.gz XWUKTVQMEXXRHM-ZWKOTPCHSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248198594 158163967 /nfs/dbraw/zinc/16/39/67/158163967.db2.gz XWUKTVQMEXXRHM-ZWKOTPCHSA-N 2 1 316.445 2.536 20 0 DFADMP CCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000248216279 158166056 /nfs/dbraw/zinc/16/60/56/158166056.db2.gz ZRKBXYJUPBXIRR-CRAIPNDOSA-N 2 1 317.477 2.662 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)C1(C)CC1 ZINC000248457602 158177362 /nfs/dbraw/zinc/17/73/62/158177362.db2.gz TUMPCOGKVYRKCF-QAPCUYQASA-N 2 1 302.462 2.922 20 0 DFADMP COCCC[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000248458833 158177440 /nfs/dbraw/zinc/17/74/40/158177440.db2.gz VEWLUFGMIITVII-APWZRJJASA-N 2 1 320.477 2.548 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(O)cc(F)c2)[C@@H](C)C1 ZINC000248650569 158193516 /nfs/dbraw/zinc/19/35/16/158193516.db2.gz WVCAZWWPCBBKOD-KSSFIOAISA-N 2 1 324.440 2.758 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(O)cc(F)c2)[C@@H](C)C1 ZINC000248650569 158193518 /nfs/dbraw/zinc/19/35/18/158193518.db2.gz WVCAZWWPCBBKOD-KSSFIOAISA-N 2 1 324.440 2.758 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248829434 158202381 /nfs/dbraw/zinc/20/23/81/158202381.db2.gz KYBJVUJHGOXVDX-ZPKKHLQPSA-N 2 1 302.462 2.910 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000355053855 158262069 /nfs/dbraw/zinc/26/20/69/158262069.db2.gz IMMCMVREIBFNQJ-APWZRJJASA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccn(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000355053855 158262071 /nfs/dbraw/zinc/26/20/71/158262071.db2.gz IMMCMVREIBFNQJ-APWZRJJASA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000357040781 158354950 /nfs/dbraw/zinc/35/49/50/158354950.db2.gz OVNAZHATKHMDJL-ADHGMGHFSA-N 2 1 323.525 2.732 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357079810 158361205 /nfs/dbraw/zinc/36/12/05/158361205.db2.gz LOFKLEOGAWWQRS-OLZOCXBDSA-N 2 1 314.351 2.626 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000357079810 158361207 /nfs/dbraw/zinc/36/12/07/158361207.db2.gz LOFKLEOGAWWQRS-OLZOCXBDSA-N 2 1 314.351 2.626 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H](C)C1=CC[N@@H+](C)CC1 ZINC000358383516 158374012 /nfs/dbraw/zinc/37/40/12/158374012.db2.gz JPLFFGGVGFMBON-MRXNPFEDSA-N 2 1 309.498 2.655 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000358390151 158376747 /nfs/dbraw/zinc/37/67/47/158376747.db2.gz XOPLJXVGRPLAQN-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[NH+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358390151 158376748 /nfs/dbraw/zinc/37/67/48/158376748.db2.gz XOPLJXVGRPLAQN-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[NH+](C)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358390151 158376752 /nfs/dbraw/zinc/37/67/52/158376752.db2.gz XOPLJXVGRPLAQN-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358390151 158376753 /nfs/dbraw/zinc/37/67/53/158376753.db2.gz XOPLJXVGRPLAQN-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1CN(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358390151 158376756 /nfs/dbraw/zinc/37/67/56/158376756.db2.gz XOPLJXVGRPLAQN-QFMLELGNSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000358390150 158376832 /nfs/dbraw/zinc/37/68/32/158376832.db2.gz XOPLJXVGRPLAQN-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358390150 158376836 /nfs/dbraw/zinc/37/68/36/158376836.db2.gz XOPLJXVGRPLAQN-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358390150 158376839 /nfs/dbraw/zinc/37/68/39/158376839.db2.gz XOPLJXVGRPLAQN-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358390150 158376840 /nfs/dbraw/zinc/37/68/40/158376840.db2.gz XOPLJXVGRPLAQN-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358390150 158376842 /nfs/dbraw/zinc/37/68/42/158376842.db2.gz XOPLJXVGRPLAQN-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP CC[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000355060023 287119612 /nfs/dbraw/zinc/11/96/12/287119612.db2.gz UMWZWVUTPWMRIL-JQHSSLGASA-N 2 1 317.477 2.668 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000129184388 196026735 /nfs/dbraw/zinc/02/67/35/196026735.db2.gz CRIPFECNGYATOJ-APWZRJJASA-N 2 1 320.452 2.583 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H](C)C1 ZINC000131405201 196165824 /nfs/dbraw/zinc/16/58/24/196165824.db2.gz IPIPTGZDIBKQTG-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCC3)c2)[C@H](C)C1 ZINC000131405201 196165826 /nfs/dbraw/zinc/16/58/26/196165826.db2.gz IPIPTGZDIBKQTG-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2nccn2Cc2ccccc2)CC[N@H+]1C ZINC000132129087 196228575 /nfs/dbraw/zinc/22/85/75/196228575.db2.gz QTDWSMKAISZXJQ-AEFFLSMTSA-N 2 1 312.461 2.546 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377698809 287283065 /nfs/dbraw/zinc/28/30/65/287283065.db2.gz MQCQFEINJZJHLV-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000377698809 287283066 /nfs/dbraw/zinc/28/30/66/287283066.db2.gz MQCQFEINJZJHLV-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667535120 543624908 /nfs/dbraw/zinc/62/49/08/543624908.db2.gz YOAQASPPSUPUJB-UHFFFAOYSA-N 2 1 305.470 2.555 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667535120 543624910 /nfs/dbraw/zinc/62/49/10/543624910.db2.gz YOAQASPPSUPUJB-UHFFFAOYSA-N 2 1 305.470 2.555 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1Cc1cnc2n1CCC2 ZINC000667587883 543636842 /nfs/dbraw/zinc/63/68/42/543636842.db2.gz GWNFPOOBALHCBE-KRWDZBQOSA-N 2 1 324.472 2.926 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000667615070 543641592 /nfs/dbraw/zinc/64/15/92/543641592.db2.gz GJJAGPCJUUFPTG-UHFFFAOYSA-N 2 1 321.428 2.836 20 0 DFADMP Cc1[nH+]cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000667620548 543642920 /nfs/dbraw/zinc/64/29/20/543642920.db2.gz HGDISRDIKQMMDY-SFHVURJKSA-N 2 1 312.461 2.682 20 0 DFADMP Cc1[nH+]cc(CN(C)C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000667620548 543642923 /nfs/dbraw/zinc/64/29/23/543642923.db2.gz HGDISRDIKQMMDY-SFHVURJKSA-N 2 1 312.461 2.682 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000667860208 543694135 /nfs/dbraw/zinc/69/41/35/543694135.db2.gz JETMYSCKAVGVIO-WMZOPIPTSA-N 2 1 320.477 2.574 20 0 DFADMP C[C@H](CNC(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCCC[C@@H]1C ZINC000667730833 543668760 /nfs/dbraw/zinc/66/87/60/543668760.db2.gz BVLSDZHXTAFDII-UONOGXRCSA-N 2 1 304.438 2.530 20 0 DFADMP Cc1ccccc1CC[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000295693479 225131625 /nfs/dbraw/zinc/13/16/25/225131625.db2.gz LVLGRNLNFYVDFE-UHFFFAOYSA-N 2 1 317.521 2.885 20 0 DFADMP CC1(C)CC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)CCS1 ZINC000668083718 543735299 /nfs/dbraw/zinc/73/52/99/543735299.db2.gz RKNRASKZCPEZFG-UHFFFAOYSA-N 2 1 302.447 2.985 20 0 DFADMP CC1(C)CC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CCS1 ZINC000668083718 543735302 /nfs/dbraw/zinc/73/53/02/543735302.db2.gz RKNRASKZCPEZFG-UHFFFAOYSA-N 2 1 302.447 2.985 20 0 DFADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000667962781 543713982 /nfs/dbraw/zinc/71/39/82/543713982.db2.gz ZPTOHBKMNUKPLZ-XCLNPWKQSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@H]1CC2(C[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1)CCOCC2 ZINC000668277802 543782734 /nfs/dbraw/zinc/78/27/34/543782734.db2.gz QJDKGVIUIRPJCP-HNNXBMFYSA-N 2 1 312.417 2.658 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1ccnn1-c1cc[nH+]cc1)CCOCC2 ZINC000668277802 543782738 /nfs/dbraw/zinc/78/27/38/543782738.db2.gz QJDKGVIUIRPJCP-HNNXBMFYSA-N 2 1 312.417 2.658 20 0 DFADMP CC[N@@H+](Cc1cnc2n1CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000668160836 543753951 /nfs/dbraw/zinc/75/39/51/543753951.db2.gz IFWOJRNVTVNMPO-UHFFFAOYSA-N 2 1 312.461 2.913 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccn2cc(C)nc2c1 ZINC000668164655 543755508 /nfs/dbraw/zinc/75/55/08/543755508.db2.gz ALLMPUNBOVWMJL-ZDUSSCGKSA-N 2 1 317.437 2.885 20 0 DFADMP Cc1[nH+]cc(CN(Cc2ccccc2)C2CC[NH+](C)CC2)n1C ZINC000668171565 543758829 /nfs/dbraw/zinc/75/88/29/543758829.db2.gz PMFRHZQBQFBJAD-UHFFFAOYSA-N 2 1 312.461 2.825 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C(C)C)CC2)cn1 ZINC000668316362 543791480 /nfs/dbraw/zinc/79/14/80/543791480.db2.gz FOYCXHZPOAOEJZ-MSOLQXFVSA-N 2 1 320.481 2.756 20 0 DFADMP c1cc(C[N@H+]2CCOC[C@@H](C3CCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668188856 543763356 /nfs/dbraw/zinc/76/33/56/543763356.db2.gz QZVXYHUXWUOBRG-INIZCTEOSA-N 2 1 312.417 2.516 20 0 DFADMP C[C@H](O)C1([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000668700890 543848219 /nfs/dbraw/zinc/84/82/19/543848219.db2.gz NDAIKVZOUIUAPL-HOTGVXAUSA-N 2 1 302.462 2.585 20 0 DFADMP CCCc1cccc(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668738949 543857850 /nfs/dbraw/zinc/85/78/50/543857850.db2.gz HJJJNSLBVNCZID-IBGZPJMESA-N 2 1 302.462 2.670 20 0 DFADMP CCCc1cccc(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)c1 ZINC000668738949 543857853 /nfs/dbraw/zinc/85/78/53/543857853.db2.gz HJJJNSLBVNCZID-IBGZPJMESA-N 2 1 302.462 2.670 20 0 DFADMP C[N@H+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000669934569 544009531 /nfs/dbraw/zinc/00/95/31/544009531.db2.gz BOTZRCSKEQKTPZ-JKSUJKDBSA-N 2 1 303.450 2.869 20 0 DFADMP C[N@@H+](C[C@H]1CCC2(CCCC2)O1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000669934569 544009534 /nfs/dbraw/zinc/00/95/34/544009534.db2.gz BOTZRCSKEQKTPZ-JKSUJKDBSA-N 2 1 303.450 2.869 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000671746246 544105789 /nfs/dbraw/zinc/10/57/89/544105789.db2.gz ZFLKIUKIOBVMLJ-GVDBMIGSSA-N 2 1 318.461 2.927 20 0 DFADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000671745716 544106026 /nfs/dbraw/zinc/10/60/26/544106026.db2.gz RUZCHVQOFBCMIF-OIISXLGYSA-N 2 1 303.450 2.669 20 0 DFADMP CC(C)OCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000291158724 222181041 /nfs/dbraw/zinc/18/10/41/222181041.db2.gz LVMTYHROCOJVMW-UHFFFAOYSA-N 2 1 308.441 2.847 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000674844386 544269174 /nfs/dbraw/zinc/26/91/74/544269174.db2.gz MYNJVEXZWCDRIO-JQHSSLGASA-N 2 1 317.477 2.526 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(O)cc2)[C@H](C)C1 ZINC000675802542 544337656 /nfs/dbraw/zinc/33/76/56/544337656.db2.gz STANPDCLNBATEG-QAPCUYQASA-N 2 1 306.450 2.619 20 0 DFADMP C[C@H]([NH2+][C@H](CO)CC1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681394920 545637538 /nfs/dbraw/zinc/63/75/38/545637538.db2.gz XIQBLJNWJPGUTO-SNRMKQJTSA-N 2 1 302.462 2.648 20 0 DFADMP OCC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000676351134 544372110 /nfs/dbraw/zinc/37/21/10/544372110.db2.gz XGCPXLCSUVLNIE-AYHJJNSGSA-N 2 1 300.446 2.544 20 0 DFADMP CCO[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000676414148 544376037 /nfs/dbraw/zinc/37/60/37/544376037.db2.gz PFDQGNNNTIEXCW-SFHVURJKSA-N 2 1 306.450 2.628 20 0 DFADMP CC[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1Cc1cc(OC)cc(C)[nH+]1 ZINC000677441368 544489404 /nfs/dbraw/zinc/48/94/04/544489404.db2.gz POOLUQNZBAOXTM-IAGOWNOFSA-N 2 1 303.450 2.847 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1Cc1cc(OC)cc(C)[nH+]1 ZINC000677441368 544489406 /nfs/dbraw/zinc/48/94/06/544489406.db2.gz POOLUQNZBAOXTM-IAGOWNOFSA-N 2 1 303.450 2.847 20 0 DFADMP CC1(C)C[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)CN1Cc1ccccc1 ZINC000677749950 544537305 /nfs/dbraw/zinc/53/73/05/544537305.db2.gz WKWOHTCHHDRUJM-ROUUACIJSA-N 2 1 324.472 2.841 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@@H]2C)o1 ZINC000677976039 544574593 /nfs/dbraw/zinc/57/45/93/544574593.db2.gz WCJVQZBKGXRLFO-CABCVRRESA-N 2 1 321.465 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@@H]2C)o1 ZINC000677976039 544574596 /nfs/dbraw/zinc/57/45/96/544574596.db2.gz WCJVQZBKGXRLFO-CABCVRRESA-N 2 1 321.465 2.676 20 0 DFADMP CCN1C[C@@H](C[N@H+](C)CC[C@@H]2CCC[NH+]2C)Oc2ccccc21 ZINC000678073646 544594285 /nfs/dbraw/zinc/59/42/85/544594285.db2.gz DZQBHUHPLIYTHK-DLBZAZTESA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@@H](C[N@@H+](C)CC[C@@H]2CCC[NH+]2C)Oc2ccccc21 ZINC000678073646 544594288 /nfs/dbraw/zinc/59/42/88/544594288.db2.gz DZQBHUHPLIYTHK-DLBZAZTESA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@@H](C[NH+](C)CC[C@@H]2CCC[N@@H+]2C)Oc2ccccc21 ZINC000678073646 544594293 /nfs/dbraw/zinc/59/42/93/544594293.db2.gz DZQBHUHPLIYTHK-DLBZAZTESA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@@H](C[NH+](C)CC[C@@H]2CCC[N@H+]2C)Oc2ccccc21 ZINC000678073646 544594296 /nfs/dbraw/zinc/59/42/96/544594296.db2.gz DZQBHUHPLIYTHK-DLBZAZTESA-N 2 1 317.477 2.690 20 0 DFADMP CC[C@@H]1CO[C@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678122341 544604372 /nfs/dbraw/zinc/60/43/72/544604372.db2.gz LEUXQJIXAMHGTN-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@@H]1CO[C@@H](C)C[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678122340 544604581 /nfs/dbraw/zinc/60/45/81/544604581.db2.gz LEUXQJIXAMHGTN-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccccc2-n2cncn2)CC1 ZINC000678194809 544617901 /nfs/dbraw/zinc/61/79/01/544617901.db2.gz ZHKVXARIFPUAPU-UHFFFAOYSA-N 2 1 313.449 2.574 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cscc2Cl)CC1 ZINC000678248186 544629749 /nfs/dbraw/zinc/62/97/49/544629749.db2.gz TYKFNAGKSHGMTE-LBPRGKRZSA-N 2 1 316.898 2.926 20 0 DFADMP CSc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443058078 297214077 /nfs/dbraw/zinc/21/40/77/297214077.db2.gz JAEDOUACMNGOEK-ZIAGYGMSSA-N 2 1 321.490 2.796 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)n1 ZINC000678422653 544670434 /nfs/dbraw/zinc/67/04/34/544670434.db2.gz NKQJJDKIFWEDRI-WBVHZDCISA-N 2 1 305.466 2.586 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000299366234 229076898 /nfs/dbraw/zinc/07/68/98/229076898.db2.gz WOADVHIBYXFNPT-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000299366234 229076900 /nfs/dbraw/zinc/07/69/00/229076900.db2.gz WOADVHIBYXFNPT-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cccc(F)c3n2)[C@@H](C)C1 ZINC000678277243 544641123 /nfs/dbraw/zinc/64/11/23/544641123.db2.gz HBKASKBHZYWRLO-XJKSGUPXSA-N 2 1 304.413 2.636 20 0 DFADMP CO[C@H](C)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000678277549 544641211 /nfs/dbraw/zinc/64/12/11/544641211.db2.gz WZQSAHCBJVBZCJ-MRXNPFEDSA-N 2 1 308.466 2.872 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H]1OC ZINC000678928921 544751054 /nfs/dbraw/zinc/75/10/54/544751054.db2.gz ZWCKLZNAHMMWPD-KSZLIROESA-N 2 1 324.509 2.813 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3cncs3)C2)nc(C)[nH+]1 ZINC000679035850 544772584 /nfs/dbraw/zinc/77/25/84/544772584.db2.gz QYYVBUVQNKHHNK-JSGCOSHPSA-N 2 1 317.462 2.870 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000299714237 229354635 /nfs/dbraw/zinc/35/46/35/229354635.db2.gz QZXCKFHCESVAHE-UHFFFAOYSA-N 2 1 318.396 2.681 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1cccc(F)c1 ZINC000299714237 229354636 /nfs/dbraw/zinc/35/46/36/229354636.db2.gz QZXCKFHCESVAHE-UHFFFAOYSA-N 2 1 318.396 2.681 20 0 DFADMP CO[C@@H]1CCC[N@@H+](CC[C@H](C)[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000679953996 544933092 /nfs/dbraw/zinc/93/30/92/544933092.db2.gz OBHIYUBYBUGDBY-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953996 544933096 /nfs/dbraw/zinc/93/30/96/544933096.db2.gz OBHIYUBYBUGDBY-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@H](OC)CC2)CC1 ZINC000679953996 544933101 /nfs/dbraw/zinc/93/31/01/544933101.db2.gz OBHIYUBYBUGDBY-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CSC4)[C@H]3C2)cc1 ZINC000680334017 544992412 /nfs/dbraw/zinc/99/24/12/544992412.db2.gz KMFBAKVRZGQSCU-RYQLBKOJSA-N 2 1 302.487 2.992 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCC(C)CC1 ZINC000062349867 425900035 /nfs/dbraw/zinc/90/00/35/425900035.db2.gz XDIFZPDBIKRFQB-SJLPKXTDSA-N 2 1 317.477 2.526 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000067122198 425908605 /nfs/dbraw/zinc/90/86/05/425908605.db2.gz RDDPHSHYUSSFPC-XYSGSMRZSA-N 2 1 302.462 2.772 20 0 DFADMP C[C@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCCn1ccnc1 ZINC000124461391 425920559 /nfs/dbraw/zinc/92/05/59/425920559.db2.gz OXKWFASXKCOKSW-GFCCVEGCSA-N 2 1 322.359 2.510 20 0 DFADMP CC[N@H+](CCNC1CC[NH+](Cc2cccc(F)c2)CC1)C1CC1 ZINC000155817074 425927387 /nfs/dbraw/zinc/92/73/87/425927387.db2.gz FBLGMBQMPNNFCP-UHFFFAOYSA-N 2 1 319.468 2.864 20 0 DFADMP CC[N@@H+](CCNC1CC[NH+](Cc2cccc(F)c2)CC1)C1CC1 ZINC000155817074 425927389 /nfs/dbraw/zinc/92/73/89/425927389.db2.gz FBLGMBQMPNNFCP-UHFFFAOYSA-N 2 1 319.468 2.864 20 0 DFADMP C[C@H](CCN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+](C)Cc1ccccc1 ZINC000156196181 425933120 /nfs/dbraw/zinc/93/31/20/425933120.db2.gz JCHQXSFIESPDGQ-ZIFCJYIRSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CCN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@H+](C)Cc1ccccc1 ZINC000156196181 425933122 /nfs/dbraw/zinc/93/31/22/425933122.db2.gz JCHQXSFIESPDGQ-ZIFCJYIRSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CCN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+](C)Cc1ccccc1 ZINC000156196181 425933124 /nfs/dbraw/zinc/93/31/24/425933124.db2.gz JCHQXSFIESPDGQ-ZIFCJYIRSA-N 2 1 303.494 2.969 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000037484298 425848509 /nfs/dbraw/zinc/84/85/09/425848509.db2.gz DNELYVIJSFJVMZ-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2csc(Br)c2)C1 ZINC000037484298 425848510 /nfs/dbraw/zinc/84/85/10/425848510.db2.gz DNELYVIJSFJVMZ-SNVBAGLBSA-N 2 1 303.269 2.942 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2ccc3c(c2)sc(=O)n3C)CC[N@H+]1C ZINC000192625176 268043277 /nfs/dbraw/zinc/04/32/77/268043277.db2.gz BVESLBMCRIOTHN-GXTWGEPZSA-N 2 1 319.474 2.515 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc3c(c2)sc(=O)n3C)CCN1C ZINC000192625176 268043282 /nfs/dbraw/zinc/04/32/82/268043282.db2.gz BVESLBMCRIOTHN-GXTWGEPZSA-N 2 1 319.474 2.515 20 0 DFADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)s2)c1 ZINC000193001679 268056033 /nfs/dbraw/zinc/05/60/33/268056033.db2.gz NSBYCUKDXIIVJJ-LBPRGKRZSA-N 2 1 303.431 2.977 20 0 DFADMP c1coc(-c2ncc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)s2)c1 ZINC000193001679 268056035 /nfs/dbraw/zinc/05/60/35/268056035.db2.gz NSBYCUKDXIIVJJ-LBPRGKRZSA-N 2 1 303.431 2.977 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)NC(=O)OC(C)(C)C ZINC000221973557 268141368 /nfs/dbraw/zinc/14/13/68/268141368.db2.gz PKNLMTQTHUPQPB-GBJTYRQASA-N 2 1 313.486 2.608 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000236817975 268151860 /nfs/dbraw/zinc/15/18/60/268151860.db2.gz BIXIKNGONNDTPJ-KRWDZBQOSA-N 2 1 305.466 2.661 20 0 DFADMP COc1ccc(Br)cc1C[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000258934462 268168381 /nfs/dbraw/zinc/16/83/81/268168381.db2.gz HETTZWOGERTCLA-CYBMUJFWSA-N 2 1 313.239 2.689 20 0 DFADMP CCOc1ccccc1OCC[N@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000266639658 268177697 /nfs/dbraw/zinc/17/76/97/268177697.db2.gz AEMIQFKABFLJRP-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000266639658 268177701 /nfs/dbraw/zinc/17/77/01/268177701.db2.gz AEMIQFKABFLJRP-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000266639658 268177702 /nfs/dbraw/zinc/17/77/02/268177702.db2.gz AEMIQFKABFLJRP-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000266639658 268177705 /nfs/dbraw/zinc/17/77/05/268177705.db2.gz AEMIQFKABFLJRP-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269015805 268187196 /nfs/dbraw/zinc/18/71/96/268187196.db2.gz OIAPAQMVRBJPIG-MXSMSXNCSA-N 2 1 322.518 2.599 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269015805 268187199 /nfs/dbraw/zinc/18/71/99/268187199.db2.gz OIAPAQMVRBJPIG-MXSMSXNCSA-N 2 1 322.518 2.599 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](Cc3cncs3)C1)CCCC2 ZINC000275559905 268260038 /nfs/dbraw/zinc/26/00/38/268260038.db2.gz ICQHHFYKJXTHQO-ZDUSSCGKSA-N 2 1 302.447 2.974 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](Cc3cncs3)C1)CCCC2 ZINC000275559905 268260039 /nfs/dbraw/zinc/26/00/39/268260039.db2.gz ICQHHFYKJXTHQO-ZDUSSCGKSA-N 2 1 302.447 2.974 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1C[C@H](OCc2ccccc2)C1(C)C ZINC000276627716 268262220 /nfs/dbraw/zinc/26/22/20/268262220.db2.gz IYTJXMWISFUVTQ-ROUUACIJSA-N 2 1 313.445 2.936 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287269732 268276177 /nfs/dbraw/zinc/27/61/77/268276177.db2.gz AVUJACOKHRACAW-OAHLLOKOSA-N 2 1 301.438 2.648 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000289543127 268280597 /nfs/dbraw/zinc/28/05/97/268280597.db2.gz CRBAFHWESZFZLO-JFIYKMOQSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C2CC2)C1 ZINC000289543127 268280599 /nfs/dbraw/zinc/28/05/99/268280599.db2.gz CRBAFHWESZFZLO-JFIYKMOQSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C2CC2)C1 ZINC000289543127 268280601 /nfs/dbraw/zinc/28/06/01/268280601.db2.gz CRBAFHWESZFZLO-JFIYKMOQSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](C[C@H](O)C[N@@H+](C)C2CC2)C1 ZINC000289543127 268280603 /nfs/dbraw/zinc/28/06/03/268280603.db2.gz CRBAFHWESZFZLO-JFIYKMOQSA-N 2 1 302.462 2.628 20 0 DFADMP CCC[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000296361320 268303285 /nfs/dbraw/zinc/30/32/85/268303285.db2.gz RWMWPAPCSGUZTL-GOSISDBHSA-N 2 1 305.466 2.781 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309775016 268335968 /nfs/dbraw/zinc/33/59/68/268335968.db2.gz YVIFQKRBUWFQDI-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCCN(Cc2ccccc2)C1 ZINC000309775016 268335969 /nfs/dbraw/zinc/33/59/69/268335969.db2.gz YVIFQKRBUWFQDI-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(Cl)c1OC ZINC000320114256 268347059 /nfs/dbraw/zinc/34/70/59/268347059.db2.gz NBIJCKHNDPKDLX-BETUJISGSA-N 2 1 324.852 2.789 20 0 DFADMP CON1CCC([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000323476844 268350293 /nfs/dbraw/zinc/35/02/93/268350293.db2.gz KZSOUEYSDCWUHY-WMZOPIPTSA-N 2 1 317.477 2.512 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H](c2ccc(F)cc2)N(C)C)[C@H](C)C1 ZINC000124789884 425939028 /nfs/dbraw/zinc/93/90/28/425939028.db2.gz ODWDRIZPRKSFIX-OLMNPRSZSA-N 2 1 307.457 2.748 20 0 DFADMP CC[N@@H+]1CC[C@@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC000124789884 425939030 /nfs/dbraw/zinc/93/90/30/425939030.db2.gz ODWDRIZPRKSFIX-OLMNPRSZSA-N 2 1 307.457 2.748 20 0 DFADMP CC[N@H+]1CC[C@@H](NC[C@@H](c2ccc(F)cc2)[NH+](C)C)[C@H](C)C1 ZINC000124789884 425939031 /nfs/dbraw/zinc/93/90/31/425939031.db2.gz ODWDRIZPRKSFIX-OLMNPRSZSA-N 2 1 307.457 2.748 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000125619544 425982903 /nfs/dbraw/zinc/98/29/03/425982903.db2.gz ZICHJMLRTZYBNL-KYJSFNMBSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000125619544 425982905 /nfs/dbraw/zinc/98/29/05/425982905.db2.gz ZICHJMLRTZYBNL-KYJSFNMBSA-N 2 1 305.441 2.724 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)ccc3C)C2)CC1 ZINC000107368972 425989535 /nfs/dbraw/zinc/98/95/35/425989535.db2.gz DOBWSHUJPHCBNA-LJQANCHMSA-N 2 1 301.478 2.515 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)NC(C)(C)C)cc1 ZINC000125796881 425991499 /nfs/dbraw/zinc/99/14/99/425991499.db2.gz NFTWCIYJZZYZSW-ZDUSSCGKSA-N 2 1 314.433 2.746 20 0 DFADMP COCCCCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000103227872 425939653 /nfs/dbraw/zinc/93/96/53/425939653.db2.gz SXBAGRXMKHFQMR-CALCHBBNSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000157956023 425940846 /nfs/dbraw/zinc/94/08/46/425940846.db2.gz SHULJKMBWNCRDH-DOTOQJQBSA-N 2 1 304.482 2.899 20 0 DFADMP Cc1ccc(N2CCC([NH2+][C@H](C)CCn3cccn3)CC2)[nH+]c1 ZINC000158869105 425949497 /nfs/dbraw/zinc/94/94/97/425949497.db2.gz BZKUIYWMUHPESU-MRXNPFEDSA-N 2 1 313.449 2.624 20 0 DFADMP C[C@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158999691 425952717 /nfs/dbraw/zinc/95/27/17/425952717.db2.gz VLXYBOLEWDZUJV-UCLAIMLFSA-N 2 1 320.452 2.741 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000070170991 425969060 /nfs/dbraw/zinc/96/90/60/425969060.db2.gz NJEWOXQQSCEDIX-ZDUSSCGKSA-N 2 1 309.841 2.729 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3cccs3)no2)CC1 ZINC000070189830 425970282 /nfs/dbraw/zinc/97/02/82/425970282.db2.gz AWLMGCDYFNMPKS-UHFFFAOYSA-N 2 1 306.435 2.620 20 0 DFADMP COc1ccc(OCC[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000125453715 425973236 /nfs/dbraw/zinc/97/32/36/425973236.db2.gz OMWWXKKVGLVGPY-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP COc1ccc(OCC[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000125453715 425973237 /nfs/dbraw/zinc/97/32/37/425973237.db2.gz OMWWXKKVGLVGPY-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP COc1ccc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000072979053 426022428 /nfs/dbraw/zinc/02/24/28/426022428.db2.gz QAVBSEDSTXVLNR-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000072979053 426022431 /nfs/dbraw/zinc/02/24/31/426022431.db2.gz QAVBSEDSTXVLNR-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000072979053 426022434 /nfs/dbraw/zinc/02/24/34/426022434.db2.gz QAVBSEDSTXVLNR-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](c1ncc[nH]1)c1ccccc1 ZINC000126707495 426032656 /nfs/dbraw/zinc/03/26/56/426032656.db2.gz MJFZZMBKGQTRRO-PBHICJAKSA-N 2 1 309.417 2.930 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000112309319 426071830 /nfs/dbraw/zinc/07/18/30/426071830.db2.gz GLMWVCHBEPFQAS-UHFFFAOYSA-N 2 1 317.477 2.744 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCn2c(C)nc3ccccc32)[C@H](C)C1 ZINC000162235041 426058151 /nfs/dbraw/zinc/05/81/51/426058151.db2.gz CTPNXEXPQCUOKE-ZBFHGGJFSA-N 2 1 300.450 2.665 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)CC[N@@H+]1C ZINC000162386456 426062929 /nfs/dbraw/zinc/06/29/29/426062929.db2.gz NDPKAVJUVUCDDM-DOTOQJQBSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)CC[N@H+]1C ZINC000162386456 426062931 /nfs/dbraw/zinc/06/29/31/426062931.db2.gz NDPKAVJUVUCDDM-DOTOQJQBSA-N 2 1 302.466 2.644 20 0 DFADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(c2nc(C)cs2)CC1 ZINC000127515915 426070787 /nfs/dbraw/zinc/07/07/87/426070787.db2.gz IQEHITUFRDQJQC-AWEZNQCLSA-N 2 1 310.511 2.740 20 0 DFADMP CCCc1cc(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c2ccccc2[nH+]1 ZINC000126228306 426011418 /nfs/dbraw/zinc/01/14/18/426011418.db2.gz UGURNIXEJBGQLG-RTBURBONSA-N 2 1 311.429 2.707 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCCOc2ccc3c(c2)OCO3)CC1 ZINC000108372275 426015572 /nfs/dbraw/zinc/01/55/72/426015572.db2.gz YZMDVXVNZBKJQL-UHFFFAOYSA-N 2 1 320.433 2.647 20 0 DFADMP COc1ccc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000072979053 426022425 /nfs/dbraw/zinc/02/24/25/426022425.db2.gz QAVBSEDSTXVLNR-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(Cn2cccn2)CC1 ZINC000163097463 426090624 /nfs/dbraw/zinc/09/06/24/426090624.db2.gz SPKDUPRARMCHOS-UHFFFAOYSA-N 2 1 301.438 2.580 20 0 DFADMP COc1cc(OC)cc([C@@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000163238187 426094029 /nfs/dbraw/zinc/09/40/29/426094029.db2.gz CXCCYAVWWKQDNF-MRXNPFEDSA-N 2 1 318.461 2.979 20 0 DFADMP COc1cc(OC)cc([C@@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000163238187 426094031 /nfs/dbraw/zinc/09/40/31/426094031.db2.gz CXCCYAVWWKQDNF-MRXNPFEDSA-N 2 1 318.461 2.979 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000128295129 426111567 /nfs/dbraw/zinc/11/15/67/426111567.db2.gz JNSUXPMYMNGBKD-QGZVFWFLSA-N 2 1 319.518 2.841 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000128421243 426117047 /nfs/dbraw/zinc/11/70/47/426117047.db2.gz QIGOUKASPJXTSO-AWEZNQCLSA-N 2 1 312.841 2.916 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cc(Cl)c2c(c1)OCCO2 ZINC000128421243 426117049 /nfs/dbraw/zinc/11/70/49/426117049.db2.gz QIGOUKASPJXTSO-AWEZNQCLSA-N 2 1 312.841 2.916 20 0 DFADMP CC[C@H](Cc1ccccc1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128491792 426118583 /nfs/dbraw/zinc/11/85/83/426118583.db2.gz ZMHPDOZGMJFYEE-LJQANCHMSA-N 2 1 303.494 2.625 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000113656021 426118925 /nfs/dbraw/zinc/11/89/25/426118925.db2.gz KRPCJQRSYWMPNQ-UHFFFAOYSA-N 2 1 309.841 2.600 20 0 DFADMP C[N@@H+](CCCF)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000128529036 426121709 /nfs/dbraw/zinc/12/17/09/426121709.db2.gz ILBYYNYIPJNSAF-SFHVURJKSA-N 2 1 308.441 2.723 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)cc1 ZINC000165629562 426123089 /nfs/dbraw/zinc/12/30/89/426123089.db2.gz JCWOKPLSMXLYPS-QWQRMKEZSA-N 2 1 303.450 2.506 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000166337235 426127203 /nfs/dbraw/zinc/12/72/03/426127203.db2.gz AZPRWTRAZHBWOO-UKBAYJJMSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000166337235 426127207 /nfs/dbraw/zinc/12/72/07/426127207.db2.gz AZPRWTRAZHBWOO-UKBAYJJMSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000166337235 426127211 /nfs/dbraw/zinc/12/72/11/426127211.db2.gz AZPRWTRAZHBWOO-UKBAYJJMSA-N 2 1 301.478 2.722 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]C3)c2C1 ZINC000166933726 426129433 /nfs/dbraw/zinc/12/94/33/426129433.db2.gz OPAQZIBWFRETGP-OAHLLOKOSA-N 2 1 315.461 2.986 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000162809760 426078952 /nfs/dbraw/zinc/07/89/52/426078952.db2.gz VXGSPSDEMASYNZ-PVAVHDDUSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000162809760 426078955 /nfs/dbraw/zinc/07/89/55/426078955.db2.gz VXGSPSDEMASYNZ-PVAVHDDUSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000162809760 426078957 /nfs/dbraw/zinc/07/89/57/426078957.db2.gz VXGSPSDEMASYNZ-PVAVHDDUSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000162809760 426078959 /nfs/dbraw/zinc/07/89/59/426078959.db2.gz VXGSPSDEMASYNZ-PVAVHDDUSA-N 2 1 308.853 2.790 20 0 DFADMP CCCC[C@H](C[NH3+])NC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000162891391 426080935 /nfs/dbraw/zinc/08/09/35/426080935.db2.gz KSOFZOUVGOHIMH-QZTJIDSGSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000127763184 426085262 /nfs/dbraw/zinc/08/52/62/426085262.db2.gz XAYKGQKMUMZFIY-LPHOPBHVSA-N 2 1 300.446 2.976 20 0 DFADMP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000116879076 426200846 /nfs/dbraw/zinc/20/08/46/426200846.db2.gz FSNMNLMEANXTBQ-QUCCMNQESA-N 2 1 315.505 2.892 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000115521257 426166716 /nfs/dbraw/zinc/16/67/16/426166716.db2.gz UCAOCOFVUXJXJA-CZUORRHYSA-N 2 1 306.454 2.642 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](Nc2cc(C)[nH+]c(C)n2)[C@H](C)C1 ZINC000115521257 426166718 /nfs/dbraw/zinc/16/67/18/426166718.db2.gz UCAOCOFVUXJXJA-CZUORRHYSA-N 2 1 306.454 2.642 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000134155858 426186717 /nfs/dbraw/zinc/18/67/17/426186717.db2.gz POMMPOCRGLWIMN-PKOBYXMFSA-N 2 1 307.526 2.842 20 0 DFADMP C[C@@H]1CCC[N@@H+]1C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000134732075 426192966 /nfs/dbraw/zinc/19/29/66/426192966.db2.gz BDHRATNAZQGHOZ-CYBMUJFWSA-N 2 1 308.388 2.904 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CCCOCC(F)(F)F)CC1 ZINC000134732075 426192969 /nfs/dbraw/zinc/19/29/69/426192969.db2.gz BDHRATNAZQGHOZ-CYBMUJFWSA-N 2 1 308.388 2.904 20 0 DFADMP Clc1cc2c(c(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)c1)OCC2 ZINC000136389405 426240626 /nfs/dbraw/zinc/24/06/26/426240626.db2.gz WOYNHZVIDBZXPZ-GFCCVEGCSA-N 2 1 306.837 2.849 20 0 DFADMP Clc1cc2c(c(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)c1)OCC2 ZINC000136389405 426240628 /nfs/dbraw/zinc/24/06/28/426240628.db2.gz WOYNHZVIDBZXPZ-GFCCVEGCSA-N 2 1 306.837 2.849 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1 ZINC000118841507 426247711 /nfs/dbraw/zinc/24/77/11/426247711.db2.gz WMLWADQUONLZAV-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP COc1ccc(OCCC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1 ZINC000118841507 426247713 /nfs/dbraw/zinc/24/77/13/426247713.db2.gz WMLWADQUONLZAV-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP COc1ccc(OCCC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000118841507 426247716 /nfs/dbraw/zinc/24/77/16/426247716.db2.gz WMLWADQUONLZAV-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965688 426252311 /nfs/dbraw/zinc/25/23/11/426252311.db2.gz YRAGCCDGMCXHQU-CAMMJAKZSA-N 2 1 303.494 2.916 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000135182705 426208674 /nfs/dbraw/zinc/20/86/74/426208674.db2.gz GHZKWLAVXFAWAH-UHFFFAOYSA-N 2 1 303.450 2.502 20 0 DFADMP CCC[C@@H](C)[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135331395 426214679 /nfs/dbraw/zinc/21/46/79/426214679.db2.gz UDFFDYXWFBKARI-CRAIPNDOSA-N 2 1 321.509 2.630 20 0 DFADMP COC(=O)c1ccc(CN(C)CC[C@@H]2CCCC[N@H+]2C)s1 ZINC000119437794 426288612 /nfs/dbraw/zinc/28/86/12/426288612.db2.gz CELZTLYQHVCAMS-ZDUSSCGKSA-N 2 1 310.463 2.841 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000119675867 426301456 /nfs/dbraw/zinc/30/14/56/426301456.db2.gz MELWRVODBQREHZ-BRWVUGGUSA-N 2 1 304.482 2.904 20 0 DFADMP C[N@@H+](CCCOCCc1ccccc1)C[C@@H]1CCC[NH+](C)C1 ZINC000152346388 426339764 /nfs/dbraw/zinc/33/97/64/426339764.db2.gz LQDQQFDNAKGQSF-LJQANCHMSA-N 2 1 304.478 2.909 20 0 DFADMP C[NH+](CCCOCCc1ccccc1)C[C@@H]1CCC[N@H+](C)C1 ZINC000152346388 426339767 /nfs/dbraw/zinc/33/97/67/426339767.db2.gz LQDQQFDNAKGQSF-LJQANCHMSA-N 2 1 304.478 2.909 20 0 DFADMP C[NH+](CCCOCCc1ccccc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000152346388 426339770 /nfs/dbraw/zinc/33/97/70/426339770.db2.gz LQDQQFDNAKGQSF-LJQANCHMSA-N 2 1 304.478 2.909 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCN(C)C(=O)OC(C)(C)C)[C@H](C)C1 ZINC000120253993 426308455 /nfs/dbraw/zinc/30/84/55/426308455.db2.gz WVQHQBKHTXNDMW-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC[N@H+]1C ZINC000152043275 426324546 /nfs/dbraw/zinc/32/45/46/426324546.db2.gz HJHZOTZQMJZFPK-YJBOKZPZSA-N 2 1 320.452 2.946 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000090523895 426327427 /nfs/dbraw/zinc/32/74/27/426327427.db2.gz BCQMAWOLGGFCJC-QGTPRVQTSA-N 2 1 303.450 2.500 20 0 DFADMP CSCC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000175796455 426329902 /nfs/dbraw/zinc/32/99/02/426329902.db2.gz KIWRYWXHVZSMNT-GASCZTMLSA-N 2 1 300.512 2.561 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090719021 426331159 /nfs/dbraw/zinc/33/11/59/426331159.db2.gz OFWMLPAHEWCJLQ-MDZRGWNJSA-N 2 1 320.477 2.920 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090888415 426332994 /nfs/dbraw/zinc/33/29/94/426332994.db2.gz SLGMYTWHEOTQEK-RKVPGOIHSA-N 2 1 320.477 2.955 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000152286135 426336638 /nfs/dbraw/zinc/33/66/38/426336638.db2.gz YVZJAPUXWUBQST-PBWTXFEYSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152286135 426336643 /nfs/dbraw/zinc/33/66/43/426336643.db2.gz YVZJAPUXWUBQST-PBWTXFEYSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000152286135 426336646 /nfs/dbraw/zinc/33/66/46/426336646.db2.gz YVZJAPUXWUBQST-PBWTXFEYSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[NH+](C)[C@@H](C)C1 ZINC000152285923 426336832 /nfs/dbraw/zinc/33/68/32/426336832.db2.gz YVZJAPUXWUBQST-RNIPGJKVSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)C[C@H]1N[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000152285923 426336837 /nfs/dbraw/zinc/33/68/37/426336837.db2.gz YVZJAPUXWUBQST-RNIPGJKVSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000152285923 426336841 /nfs/dbraw/zinc/33/68/41/426336841.db2.gz YVZJAPUXWUBQST-RNIPGJKVSA-N 2 1 301.478 2.579 20 0 DFADMP Cc1cc(N[C@@H](C)C[NH+]2CCOCC2)c2cc(F)ccc2[nH+]1 ZINC000121382840 426338729 /nfs/dbraw/zinc/33/87/29/426338729.db2.gz PCIRAVKOMDHREV-ZDUSSCGKSA-N 2 1 303.381 2.815 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)s2)[C@H](C)C1 ZINC000119379693 426284620 /nfs/dbraw/zinc/28/46/20/426284620.db2.gz INVJPKYOLNVPOE-OCCSQVGLSA-N 2 1 310.463 2.697 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000151275142 426287253 /nfs/dbraw/zinc/28/72/53/426287253.db2.gz UHQLLNIDXSNUBD-ZWKOTPCHSA-N 2 1 318.461 2.509 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)C1 ZINC000092565364 426349658 /nfs/dbraw/zinc/34/96/58/426349658.db2.gz XNDIOZNIFUZEJI-FHERZECASA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000152769410 426353384 /nfs/dbraw/zinc/35/33/84/426353384.db2.gz HXXGADDQAFIHTP-YQQAZPJKSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153351155 426381820 /nfs/dbraw/zinc/38/18/20/426381820.db2.gz YFDGYMZQNMKEHC-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000153351155 426381822 /nfs/dbraw/zinc/38/18/22/426381822.db2.gz YFDGYMZQNMKEHC-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000122585567 426383175 /nfs/dbraw/zinc/38/31/75/426383175.db2.gz PHQCUCWTKMCEPV-UHFFFAOYSA-N 3 1 304.482 2.780 20 0 DFADMP C[C@@H](c1ccc(F)c(F)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000122662779 426387157 /nfs/dbraw/zinc/38/71/57/426387157.db2.gz JOYMNSFCLFBXFN-AWEZNQCLSA-N 2 1 311.420 2.595 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)CC[N@@H+]1C ZINC000123671733 426446982 /nfs/dbraw/zinc/44/69/82/426446982.db2.gz OGVBYEKWWNZEHM-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)CC[N@H+]1C ZINC000123671733 426446984 /nfs/dbraw/zinc/44/69/84/426446984.db2.gz OGVBYEKWWNZEHM-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)CC[NH+]1C ZINC000123671733 426446988 /nfs/dbraw/zinc/44/69/88/426446988.db2.gz OGVBYEKWWNZEHM-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2)CC[NH+]1C ZINC000123671733 426446989 /nfs/dbraw/zinc/44/69/89/426446989.db2.gz OGVBYEKWWNZEHM-CJNGLKHVSA-N 2 1 307.413 2.569 20 0 DFADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000123093403 426414270 /nfs/dbraw/zinc/41/42/70/426414270.db2.gz DXIXTGYZANKKGE-NSISKUIASA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000123093403 426414272 /nfs/dbraw/zinc/41/42/72/426414272.db2.gz DXIXTGYZANKKGE-NSISKUIASA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](CN[C@@H]1CC[NH+](C)[C@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000123093403 426414276 /nfs/dbraw/zinc/41/42/76/426414276.db2.gz DXIXTGYZANKKGE-NSISKUIASA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000123093403 426414279 /nfs/dbraw/zinc/41/42/79/426414279.db2.gz DXIXTGYZANKKGE-NSISKUIASA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000123093403 426414281 /nfs/dbraw/zinc/41/42/81/426414281.db2.gz DXIXTGYZANKKGE-NSISKUIASA-N 2 1 315.505 2.896 20 0 DFADMP Cc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154030453 426420179 /nfs/dbraw/zinc/42/01/79/426420179.db2.gz MJRKKOJOPLBJTH-USXIJHARSA-N 2 1 305.466 2.655 20 0 DFADMP Cc1ccc([C@@H](CN[C@H]2CC[N@@H+](C)[C@H](C)C2)[NH+]2CCCC2)o1 ZINC000154015984 426420473 /nfs/dbraw/zinc/42/04/73/426420473.db2.gz PXRHZTPUEKLCHQ-HYVNUMGLSA-N 2 1 305.466 2.797 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC2(CO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340361161 268971082 /nfs/dbraw/zinc/97/10/82/268971082.db2.gz NXFZXXAIOJNZBA-ZWKOTPCHSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(CO)CCCC2)C[C@@H]1c1ccccc1 ZINC000340361161 268971084 /nfs/dbraw/zinc/97/10/84/268971084.db2.gz NXFZXXAIOJNZBA-ZWKOTPCHSA-N 2 1 302.462 2.964 20 0 DFADMP Clc1c[nH+]ccc1N1CCC(OCC[NH+]2CCCC2)CC1 ZINC000176945744 426427540 /nfs/dbraw/zinc/42/75/40/426427540.db2.gz AMZBGUJWEXFCHW-UHFFFAOYSA-N 2 1 309.841 2.816 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2c3ccccc3C[C@H]2C)CC1 ZINC000154478556 426442929 /nfs/dbraw/zinc/44/29/29/426442929.db2.gz PLKCHVKMTQSSSO-XLIONFOSSA-N 2 1 315.505 2.927 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC000154528105 426443450 /nfs/dbraw/zinc/44/34/50/426443450.db2.gz RISJRWQETZROPO-MRXNPFEDSA-N 2 1 307.457 2.894 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2cc(OC)ccc21 ZINC000153783333 426407016 /nfs/dbraw/zinc/40/70/16/426407016.db2.gz VZRMKQZAFMHHCR-SFHVURJKSA-N 2 1 306.450 2.631 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000341262926 269054731 /nfs/dbraw/zinc/05/47/31/269054731.db2.gz BEJURSVJSDKSGD-OAGGEKHMSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000341262926 269054733 /nfs/dbraw/zinc/05/47/33/269054733.db2.gz BEJURSVJSDKSGD-OAGGEKHMSA-N 2 1 303.450 2.500 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)Nc1ccccc1 ZINC000177295888 426465086 /nfs/dbraw/zinc/46/50/86/426465086.db2.gz FXXJKRICGPTTNN-CABCVRRESA-N 2 1 314.433 2.835 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000155432323 426470801 /nfs/dbraw/zinc/47/08/01/426470801.db2.gz VZBJFZHYFFERMA-UNEWFSDZSA-N 2 1 323.431 2.863 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CN(C)CCCn1ccnc1 ZINC000124223461 426475455 /nfs/dbraw/zinc/47/54/55/426475455.db2.gz URBSXEWBAIBRSG-UHFFFAOYSA-N 2 1 320.824 2.806 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3ccn(C)c3)c2)CCO1 ZINC000124275956 426477905 /nfs/dbraw/zinc/47/79/05/426477905.db2.gz XRQYTFRBIAXAPV-MRXNPFEDSA-N 2 1 313.445 2.536 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3ccn(C)c3)c2)CCO1 ZINC000124275956 426477907 /nfs/dbraw/zinc/47/79/07/426477907.db2.gz XRQYTFRBIAXAPV-MRXNPFEDSA-N 2 1 313.445 2.536 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000124381314 426482429 /nfs/dbraw/zinc/48/24/29/426482429.db2.gz HZKHQUCHEIXNPG-UONOGXRCSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000124381314 426482431 /nfs/dbraw/zinc/48/24/31/426482431.db2.gz HZKHQUCHEIXNPG-UONOGXRCSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124400859 426483099 /nfs/dbraw/zinc/48/30/99/426483099.db2.gz RHIRUJUSVJXDNQ-MRXNPFEDSA-N 2 1 319.493 2.619 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2sc(C)nc2C)CC1 ZINC000178005155 426555072 /nfs/dbraw/zinc/55/50/72/426555072.db2.gz TYRPCBRRHNCZPP-CQSZACIVSA-N 2 1 324.538 2.828 20 0 DFADMP Cc1nccn1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485133 426538269 /nfs/dbraw/zinc/53/82/69/426538269.db2.gz MMCKRRFTYYELSL-APWZRJJASA-N 2 1 312.461 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272485133 426538274 /nfs/dbraw/zinc/53/82/74/426538274.db2.gz MMCKRRFTYYELSL-APWZRJJASA-N 3 1 312.461 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272485133 426538279 /nfs/dbraw/zinc/53/82/79/426538279.db2.gz MMCKRRFTYYELSL-APWZRJJASA-N 3 1 312.461 2.692 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@@H]2C)c1 ZINC000288885974 426547112 /nfs/dbraw/zinc/54/71/12/426547112.db2.gz ZYDHWFWHNWJXDT-CRAIPNDOSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc(Cl)c2)CC1 ZINC000264420218 426548884 /nfs/dbraw/zinc/54/88/84/426548884.db2.gz ZZMMIKMETBMXCU-AWEZNQCLSA-N 2 1 310.869 2.865 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]1Cn1ccnc1 ZINC000177993472 426552371 /nfs/dbraw/zinc/55/23/71/426552371.db2.gz NUVJFCUCIKMRPR-MRXNPFEDSA-N 2 1 308.385 2.802 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)C12CCOCC2 ZINC000186212741 426494168 /nfs/dbraw/zinc/49/41/68/426494168.db2.gz TZUGRGSOKQNDJA-RCCFBDPRSA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)c1nc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cs1 ZINC000186322468 426503830 /nfs/dbraw/zinc/50/38/30/426503830.db2.gz QFGNDXRYUCWBQW-HNNXBMFYSA-N 2 1 324.538 2.945 20 0 DFADMP C[C@H]1C[C@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@H+]1C ZINC000186638126 426569835 /nfs/dbraw/zinc/56/98/35/426569835.db2.gz JNVPVZDXJPXBLM-VHSSKADRSA-N 2 1 316.424 2.721 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000178315113 426603054 /nfs/dbraw/zinc/60/30/54/426603054.db2.gz QWEMRDQDBXJWLD-RDJZCZTQSA-N 2 1 320.481 2.690 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C(C)C)C(C)C ZINC000178315113 426603058 /nfs/dbraw/zinc/60/30/58/426603058.db2.gz QWEMRDQDBXJWLD-RDJZCZTQSA-N 2 1 320.481 2.690 20 0 DFADMP COCC[C@@](C)(O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178375691 426617949 /nfs/dbraw/zinc/61/79/49/426617949.db2.gz QGHSNGNPGKGADX-KBXCAEBGSA-N 2 1 317.433 2.619 20 0 DFADMP C[C@H]([NH2+]CCOCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562913 426558416 /nfs/dbraw/zinc/55/84/16/426558416.db2.gz UOUSNFBQMNJWLE-QFBILLFUSA-N 2 1 302.462 2.913 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000273279646 426633384 /nfs/dbraw/zinc/63/33/84/426633384.db2.gz NROBVHCIBMBFMV-HUUCEWRRSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000273279646 426633390 /nfs/dbraw/zinc/63/33/90/426633390.db2.gz NROBVHCIBMBFMV-HUUCEWRRSA-N 2 1 303.450 2.833 20 0 DFADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1cc(-c2ccccc2)cs1 ZINC000228722010 426634547 /nfs/dbraw/zinc/63/45/47/426634547.db2.gz VYMHJUQCADZBDG-KRWDZBQOSA-N 2 1 304.459 2.817 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)s1 ZINC000178469092 426635138 /nfs/dbraw/zinc/63/51/38/426635138.db2.gz IJBAEDKICPOTKY-ZFWWWQNUSA-N 2 1 323.506 2.911 20 0 DFADMP CCN(C[C@H](O)C[N@@H+](C)C1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000290067857 426686587 /nfs/dbraw/zinc/68/65/87/426686587.db2.gz TWYVCROHFKQMRZ-WMLDXEAASA-N 2 1 306.450 2.533 20 0 DFADMP CC[N@H+](C[C@H](O)CN(C)C1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000290067857 426686591 /nfs/dbraw/zinc/68/65/91/426686591.db2.gz TWYVCROHFKQMRZ-WMLDXEAASA-N 2 1 306.450 2.533 20 0 DFADMP CC[N@@H+](C[C@H](O)CN(C)C1CC1)[C@@H](C)c1cccc(OC)c1 ZINC000290067857 426686596 /nfs/dbraw/zinc/68/65/96/426686596.db2.gz TWYVCROHFKQMRZ-WMLDXEAASA-N 2 1 306.450 2.533 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCCc2c(Cl)cccc21)C[NH+]1CCCC1 ZINC000273400832 426657777 /nfs/dbraw/zinc/65/77/77/426657777.db2.gz NAALBVKCJQWNKJ-CXAGYDPISA-N 2 1 308.853 2.764 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000236644188 426668101 /nfs/dbraw/zinc/66/81/01/426668101.db2.gz OLVDCHLUKMCRCL-UHFFFAOYSA-N 2 1 313.449 2.824 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cnc2ccc(Cl)cn12 ZINC000265655016 426668431 /nfs/dbraw/zinc/66/84/31/426668431.db2.gz PDXMHZDDAKZGFX-UHFFFAOYSA-N 2 1 303.797 2.673 20 0 DFADMP CC[C@]1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)OCCc2ccccc21 ZINC000289614773 426671315 /nfs/dbraw/zinc/67/13/15/426671315.db2.gz DGUOEJCTIULMEA-KVSKMBFKSA-N 2 1 302.462 2.937 20 0 DFADMP CC[C@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccc(Cl)cc1 ZINC000178675547 426674240 /nfs/dbraw/zinc/67/42/40/426674240.db2.gz ZRXWMJZFMOLLKR-INIZCTEOSA-N 2 1 323.868 2.545 20 0 DFADMP C1=C[C@@H]2C[C@H]1C[C@@H]2C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000236694801 426677249 /nfs/dbraw/zinc/67/72/49/426677249.db2.gz IMRJXDJEZPHCGS-SQGPQFPESA-N 2 1 312.457 2.821 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236766199 426685647 /nfs/dbraw/zinc/68/56/47/426685647.db2.gz MRDFOSOAYWUGIT-MSOLQXFVSA-N 2 1 317.477 2.800 20 0 DFADMP C[N@@H+](C[C@@H](O)CN[C@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301421 426622507 /nfs/dbraw/zinc/62/25/07/426622507.db2.gz CTXIRNSZAXHPDZ-DLBZAZTESA-N 2 1 308.441 2.958 20 0 DFADMP CN(C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301421 426622513 /nfs/dbraw/zinc/62/25/13/426622513.db2.gz CTXIRNSZAXHPDZ-DLBZAZTESA-N 2 1 308.441 2.958 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301421 426622517 /nfs/dbraw/zinc/62/25/17/426622517.db2.gz CTXIRNSZAXHPDZ-DLBZAZTESA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301421 426622520 /nfs/dbraw/zinc/62/25/20/426622520.db2.gz CTXIRNSZAXHPDZ-DLBZAZTESA-N 2 1 308.441 2.958 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000289295422 426623179 /nfs/dbraw/zinc/62/31/79/426623179.db2.gz QEQYXXRXJZKJLK-AWEZNQCLSA-N 2 1 315.383 2.891 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CCN(CC(F)(F)F)[C@@H](C)C1 ZINC000289295422 426623181 /nfs/dbraw/zinc/62/31/81/426623181.db2.gz QEQYXXRXJZKJLK-AWEZNQCLSA-N 2 1 315.383 2.891 20 0 DFADMP C[C@H](NCCC[NH+]1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178411767 426623886 /nfs/dbraw/zinc/62/38/86/426623886.db2.gz SOPBSQNEUPLXQQ-KRWDZBQOSA-N 2 1 319.493 2.764 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCCOC3)CC2)cc1 ZINC000178426963 426626191 /nfs/dbraw/zinc/62/61/91/426626191.db2.gz XOBUGFHVNZGFRU-QGZVFWFLSA-N 2 1 320.452 2.849 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCSc2ccccc2)CC1 ZINC000265374642 426626725 /nfs/dbraw/zinc/62/67/25/426626725.db2.gz BGLNERNXMDKGIN-MRXNPFEDSA-N 2 1 322.518 2.803 20 0 DFADMP C[C@@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290084004 426689833 /nfs/dbraw/zinc/68/98/33/426689833.db2.gz VHEXCXZCJHXCHM-KXBFYZLASA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000290084004 426689839 /nfs/dbraw/zinc/68/98/39/426689839.db2.gz VHEXCXZCJHXCHM-KXBFYZLASA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H](C1CC1)[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000290084004 426689843 /nfs/dbraw/zinc/68/98/43/426689843.db2.gz VHEXCXZCJHXCHM-KXBFYZLASA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H](C1CC1)[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290084004 426689847 /nfs/dbraw/zinc/68/98/47/426689847.db2.gz VHEXCXZCJHXCHM-KXBFYZLASA-N 2 1 302.462 2.742 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)N(CC(C)C)C(C)C ZINC000178750958 426687961 /nfs/dbraw/zinc/68/79/61/426687961.db2.gz RHLWILOCONXPHU-QGZVFWFLSA-N 2 1 320.481 2.549 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)N(CC(C)C)C(C)C ZINC000178750958 426687966 /nfs/dbraw/zinc/68/79/66/426687966.db2.gz RHLWILOCONXPHU-QGZVFWFLSA-N 2 1 320.481 2.549 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+]2)c1 ZINC000178850089 426707821 /nfs/dbraw/zinc/70/78/21/426707821.db2.gz RBJCWMDWWMORPK-SFHVURJKSA-N 2 1 317.477 2.677 20 0 DFADMP OCC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CCCC1 ZINC000178876148 426712449 /nfs/dbraw/zinc/71/24/49/426712449.db2.gz MGYUSHXKHBSKHS-UHFFFAOYSA-N 2 1 302.462 2.793 20 0 DFADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1C ZINC000290100441 426693829 /nfs/dbraw/zinc/69/38/29/426693829.db2.gz WSAGPXRPVUOPJH-HKUYNNGSSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1C ZINC000290100441 426693836 /nfs/dbraw/zinc/69/38/36/426693836.db2.gz WSAGPXRPVUOPJH-HKUYNNGSSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1C ZINC000290100441 426693841 /nfs/dbraw/zinc/69/38/41/426693841.db2.gz WSAGPXRPVUOPJH-HKUYNNGSSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1cccc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1C ZINC000290100441 426693846 /nfs/dbraw/zinc/69/38/46/426693846.db2.gz WSAGPXRPVUOPJH-HKUYNNGSSA-N 2 1 302.462 2.895 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H]1CC[NH+]2CCC[C@H]2C1 ZINC000290444169 426766820 /nfs/dbraw/zinc/76/68/20/426766820.db2.gz VRAKIBNEROBLGI-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000290444169 426766827 /nfs/dbraw/zinc/76/68/27/426766827.db2.gz VRAKIBNEROBLGI-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000290444169 426766832 /nfs/dbraw/zinc/76/68/32/426766832.db2.gz VRAKIBNEROBLGI-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000290444169 426766837 /nfs/dbraw/zinc/76/68/37/426766837.db2.gz VRAKIBNEROBLGI-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000290444169 426766839 /nfs/dbraw/zinc/76/68/39/426766839.db2.gz VRAKIBNEROBLGI-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP COCc1cccc(CN2CCC([N@@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000179200748 426767036 /nfs/dbraw/zinc/76/70/36/426767036.db2.gz HSKMBIDUPPAGRK-MRXNPFEDSA-N 2 1 318.461 2.518 20 0 DFADMP COCc1cccc(CN2CCC([N@H+]3CCO[C@H](C)C3)CC2)c1 ZINC000179200748 426767043 /nfs/dbraw/zinc/76/70/43/426767043.db2.gz HSKMBIDUPPAGRK-MRXNPFEDSA-N 2 1 318.461 2.518 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245796713 426771982 /nfs/dbraw/zinc/77/19/82/426771982.db2.gz XBWVTBGBQMJKTP-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245796713 426771986 /nfs/dbraw/zinc/77/19/86/426771986.db2.gz XBWVTBGBQMJKTP-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000245796713 426771988 /nfs/dbraw/zinc/77/19/88/426771988.db2.gz XBWVTBGBQMJKTP-KSSFIOAISA-N 2 1 303.450 2.807 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCCO2)C3)cc1 ZINC000245784355 426772308 /nfs/dbraw/zinc/77/23/08/426772308.db2.gz ZIVJNZVFJWCHRS-AKHDSKFASA-N 2 1 300.446 2.951 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1O ZINC000290478217 426773993 /nfs/dbraw/zinc/77/39/93/426773993.db2.gz NXXQCVCYLWGRSX-MRXNPFEDSA-N 2 1 304.434 2.565 20 0 DFADMP CC[NH+](CC)CCCCNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000266823360 426784590 /nfs/dbraw/zinc/78/45/90/426784590.db2.gz IZDKLLQLILMFMN-QGZVFWFLSA-N 2 1 319.493 2.745 20 0 DFADMP CC(C)Oc1ccccc1C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000266881220 426787566 /nfs/dbraw/zinc/78/75/66/426787566.db2.gz AJXNTZCSTUNKEZ-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP Brc1cccc2c1CC[N@@H+](CC1CC[NH2+]CC1)C2 ZINC000178970834 426728049 /nfs/dbraw/zinc/72/80/49/426728049.db2.gz DDZWXUGWWIXNAR-UHFFFAOYSA-N 2 1 309.251 2.807 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000290290477 426734080 /nfs/dbraw/zinc/73/40/80/426734080.db2.gz AGRLHUGJRUPLNB-CVEARBPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000290290477 426734085 /nfs/dbraw/zinc/73/40/85/426734085.db2.gz AGRLHUGJRUPLNB-CVEARBPZSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000290290477 426734088 /nfs/dbraw/zinc/73/40/88/426734088.db2.gz AGRLHUGJRUPLNB-CVEARBPZSA-N 2 1 304.434 2.620 20 0 DFADMP Cc1ccc2nc(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cn2c1 ZINC000290301455 426736263 /nfs/dbraw/zinc/73/62/63/426736263.db2.gz BIXQVYSGDCHQMV-QGZVFWFLSA-N 2 1 312.461 2.806 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@H](C)Cn1cc[nH+]c1C)CC2 ZINC000179023267 426738108 /nfs/dbraw/zinc/73/81/08/426738108.db2.gz GTKNECLZDDXUDD-KBXCAEBGSA-N 2 1 313.445 2.983 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)n2C)c1 ZINC000281659591 426738337 /nfs/dbraw/zinc/73/83/37/426738337.db2.gz KPRLUTPCTNPNCV-UHFFFAOYSA-N 2 1 306.841 2.815 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2ncc(Cl)n2C)c1 ZINC000281659591 426738339 /nfs/dbraw/zinc/73/83/39/426738339.db2.gz KPRLUTPCTNPNCV-UHFFFAOYSA-N 2 1 306.841 2.815 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245438455 426738993 /nfs/dbraw/zinc/73/89/93/426738993.db2.gz FHWUODODPRXTAI-HOTGVXAUSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[NH+](C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000245438455 426738999 /nfs/dbraw/zinc/73/89/99/426738999.db2.gz FHWUODODPRXTAI-HOTGVXAUSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245438455 426739004 /nfs/dbraw/zinc/73/90/04/426739004.db2.gz FHWUODODPRXTAI-HOTGVXAUSA-N 2 1 303.450 2.738 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000245438455 426739007 /nfs/dbraw/zinc/73/90/07/426739007.db2.gz FHWUODODPRXTAI-HOTGVXAUSA-N 2 1 303.450 2.738 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316427 426740208 /nfs/dbraw/zinc/74/02/08/426740208.db2.gz COVHEWFCKYHVPX-CJNGLKHVSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316427 426740210 /nfs/dbraw/zinc/74/02/10/426740210.db2.gz COVHEWFCKYHVPX-CJNGLKHVSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316427 426740213 /nfs/dbraw/zinc/74/02/13/426740213.db2.gz COVHEWFCKYHVPX-CJNGLKHVSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316427 426740218 /nfs/dbraw/zinc/74/02/18/426740218.db2.gz COVHEWFCKYHVPX-CJNGLKHVSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@@H]1C[N@H+](CC2CCN(Cc3cncc(F)c3)CC2)C[C@H](C)O1 ZINC000274329282 426745266 /nfs/dbraw/zinc/74/52/66/426745266.db2.gz FKBJNTLKAAZZIQ-GASCZTMLSA-N 2 1 321.440 2.542 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3cncc(F)c3)CC2)C[C@H](C)O1 ZINC000274329282 426745275 /nfs/dbraw/zinc/74/52/75/426745275.db2.gz FKBJNTLKAAZZIQ-GASCZTMLSA-N 2 1 321.440 2.542 20 0 DFADMP CC[C@@H](CCO)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245708981 426765559 /nfs/dbraw/zinc/76/55/59/426765559.db2.gz MZDPGYLUUBRRIW-OKYOBFRVSA-N 2 1 302.462 2.933 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)oc1C ZINC000290590757 426799530 /nfs/dbraw/zinc/79/95/30/426799530.db2.gz VFDJXVKTRNWOFM-OAHLLOKOSA-N 2 1 320.433 2.538 20 0 DFADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc(OC)c1 ZINC000290610936 426805381 /nfs/dbraw/zinc/80/53/81/426805381.db2.gz WMVCEHXXMYDRND-QAPCUYQASA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc(OC)c1 ZINC000290610936 426805388 /nfs/dbraw/zinc/80/53/88/426805388.db2.gz WMVCEHXXMYDRND-QAPCUYQASA-N 2 1 304.434 2.620 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290610941 426805461 /nfs/dbraw/zinc/80/54/61/426805461.db2.gz WMYIKOFIVMYCDD-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)CC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000246209570 426811623 /nfs/dbraw/zinc/81/16/23/426811623.db2.gz FRQJXOIYSGICGX-CSNJMZFVSA-N 2 1 321.509 2.535 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2cscn2)CC1 ZINC000179679629 426812286 /nfs/dbraw/zinc/81/22/86/426812286.db2.gz INXINKDXIALNBZ-UHFFFAOYSA-N 2 1 311.495 2.714 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cscn2)CC1 ZINC000179679629 426812289 /nfs/dbraw/zinc/81/22/89/426812289.db2.gz INXINKDXIALNBZ-UHFFFAOYSA-N 2 1 311.495 2.714 20 0 DFADMP COCc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290664220 426814019 /nfs/dbraw/zinc/81/40/19/426814019.db2.gz ZXCWZDVYNNGNDH-LJQANCHMSA-N 2 1 302.462 2.997 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000246281732 426816035 /nfs/dbraw/zinc/81/60/35/426816035.db2.gz MPJJFOHGHCTSPS-NCOADZHNSA-N 2 1 321.509 2.534 20 0 DFADMP O[C@@H](C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000189098374 426816944 /nfs/dbraw/zinc/81/69/44/426816944.db2.gz JGUFQKCMSSEHPF-LSDHHAIUSA-N 2 1 322.415 2.888 20 0 DFADMP O[C@@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)CC(F)(F)F ZINC000189098374 426816948 /nfs/dbraw/zinc/81/69/48/426816948.db2.gz JGUFQKCMSSEHPF-LSDHHAIUSA-N 2 1 322.415 2.888 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274741710 426828397 /nfs/dbraw/zinc/82/83/97/426828397.db2.gz FLPRWZIQFOLXCC-IDCBKMMBSA-N 2 1 302.462 2.814 20 0 DFADMP CCc1ccccc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000189207773 426828829 /nfs/dbraw/zinc/82/88/29/426828829.db2.gz NMXPSKSIYQMQGN-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1ccccc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000189207773 426828833 /nfs/dbraw/zinc/82/88/33/426828833.db2.gz NMXPSKSIYQMQGN-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282124910 426833842 /nfs/dbraw/zinc/83/38/42/426833842.db2.gz AZKJWPGZWOBZRL-QAPCUYQASA-N 2 1 301.478 2.536 20 0 DFADMP C[C@@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)nc3)CC2)C[C@@H](C)O1 ZINC000189309303 426837248 /nfs/dbraw/zinc/83/72/48/426837248.db2.gz YVHDQXOVTHBMTH-HUUCEWRRSA-N 2 1 321.440 2.542 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cncnc2)CC1 ZINC000180182320 426840529 /nfs/dbraw/zinc/84/05/29/426840529.db2.gz FECVWPHHDKYCCT-INIZCTEOSA-N 2 1 302.466 2.953 20 0 DFADMP C[C@@H](C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000282232148 426858287 /nfs/dbraw/zinc/85/82/87/426858287.db2.gz FPLHKEPTGOZOIG-HNNXBMFYSA-N 2 1 307.457 2.545 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000274821695 426844912 /nfs/dbraw/zinc/84/49/12/426844912.db2.gz YJOUACZWPXBUOR-JCHJZTRSSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000274821695 426844918 /nfs/dbraw/zinc/84/49/18/426844918.db2.gz YJOUACZWPXBUOR-JCHJZTRSSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1cc(N(C)[C@@H]2CC[N@H+](C)C[C@H]2C)nc(-c2ccncc2)n1 ZINC000246622834 426851287 /nfs/dbraw/zinc/85/12/87/426851287.db2.gz MFEMWDRYDLQPOI-CZUORRHYSA-N 2 1 311.433 2.623 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CCc3cc(Cl)ccc32)CC1(C)C ZINC000282203594 426851520 /nfs/dbraw/zinc/85/15/20/426851520.db2.gz GYFPKRUVTUXGKA-KRWDZBQOSA-N 2 1 321.896 2.943 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274861341 426853387 /nfs/dbraw/zinc/85/33/87/426853387.db2.gz CYMAKXALPJSOIU-DZGCQCFKSA-N 2 1 311.857 2.623 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553568 426792837 /nfs/dbraw/zinc/79/28/37/426792837.db2.gz RXIJZXDKTIBQQN-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553568 426792842 /nfs/dbraw/zinc/79/28/42/426792842.db2.gz RXIJZXDKTIBQQN-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccc(-n3cccn3)cc2)C1 ZINC000290553568 426792844 /nfs/dbraw/zinc/79/28/44/426792844.db2.gz RXIJZXDKTIBQQN-MJGOQNOKSA-N 2 1 310.445 2.788 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1ccnn1-c1ccc(F)cc1 ZINC000290568390 426794652 /nfs/dbraw/zinc/79/46/52/426794652.db2.gz SVRRKXRZQZVYQG-UHFFFAOYSA-N 2 1 313.380 2.730 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1(C)C ZINC000282443864 426914794 /nfs/dbraw/zinc/91/47/94/426914794.db2.gz SBNKORSFLRBVTM-RBUKOAKNSA-N 2 1 315.505 2.938 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309639301 426916419 /nfs/dbraw/zinc/91/64/19/426916419.db2.gz BBTSYJRKCFKUAA-QYZOEREBSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309639301 426916423 /nfs/dbraw/zinc/91/64/23/426916423.db2.gz BBTSYJRKCFKUAA-QYZOEREBSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309639301 426916428 /nfs/dbraw/zinc/91/64/28/426916428.db2.gz BBTSYJRKCFKUAA-QYZOEREBSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H](NC[C@H]1CCCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309876669 426917526 /nfs/dbraw/zinc/91/75/26/426917526.db2.gz UILHKKVZRMJCFC-QXAKKESOSA-N 3 1 301.478 2.629 20 0 DFADMP CC[C@@](C)(O)C[N@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000275806844 426921476 /nfs/dbraw/zinc/92/14/76/426921476.db2.gz FOHJNABVIJZAAV-GOSISDBHSA-N 2 1 301.434 2.855 20 0 DFADMP CC[C@@](C)(O)C[N@@H+](CCn1cc[nH+]c1C)Cc1ccccc1 ZINC000275806844 426921481 /nfs/dbraw/zinc/92/14/81/426921481.db2.gz FOHJNABVIJZAAV-GOSISDBHSA-N 2 1 301.434 2.855 20 0 DFADMP CC[N@@H+](CCN[C@@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1)C1CC1 ZINC000274954586 426860741 /nfs/dbraw/zinc/86/07/41/426860741.db2.gz VPTTVRDVSFFGIB-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954586 426860746 /nfs/dbraw/zinc/86/07/46/426860746.db2.gz VPTTVRDVSFFGIB-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954586 426860753 /nfs/dbraw/zinc/86/07/53/426860753.db2.gz VPTTVRDVSFFGIB-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954586 426860757 /nfs/dbraw/zinc/86/07/57/426860757.db2.gz VPTTVRDVSFFGIB-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP CCN(CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000274954586 426860761 /nfs/dbraw/zinc/86/07/61/426860761.db2.gz VPTTVRDVSFFGIB-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H](C)C2 ZINC000180468046 426861944 /nfs/dbraw/zinc/86/19/44/426861944.db2.gz DXVBDXTYJKCFDY-PXNSSMCTSA-N 2 1 315.505 2.846 20 0 DFADMP Clc1cc2c(c(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)c1)OCC2 ZINC000275577457 426873038 /nfs/dbraw/zinc/87/30/38/426873038.db2.gz OVASWABLBWEZRA-GFCCVEGCSA-N 2 1 317.820 2.824 20 0 DFADMP C[C@@H](C[NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)N1CCc2sccc2C1 ZINC000246905460 426876264 /nfs/dbraw/zinc/87/62/64/426876264.db2.gz FPNMRPBZGPCWFT-AIANPOQGSA-N 2 1 321.534 2.813 20 0 DFADMP OC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCC1 ZINC000305105745 426879190 /nfs/dbraw/zinc/87/91/90/426879190.db2.gz CWQRGDACWKCYQE-UHFFFAOYSA-N 2 1 320.452 2.727 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCCO2 ZINC000305104225 426880021 /nfs/dbraw/zinc/88/00/21/426880021.db2.gz CHDHXYZDLWLYFT-SFHVURJKSA-N 2 1 318.461 2.645 20 0 DFADMP Cc1ccc(N2CCC([NH2+]C3CC(OC(C)C)C3)CC2)[nH+]c1 ZINC000189540928 426884733 /nfs/dbraw/zinc/88/47/33/426884733.db2.gz AGQCHROFYUMBLM-UHFFFAOYSA-N 2 1 303.450 2.904 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000305170329 426891659 /nfs/dbraw/zinc/89/16/59/426891659.db2.gz ZPQJRNDLXNUKBL-PKOBYXMFSA-N 2 1 316.445 2.812 20 0 DFADMP C[C@H]1Cc2ccccc2N1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247112572 426902992 /nfs/dbraw/zinc/90/29/92/426902992.db2.gz TYOPSGNJAWNZRL-XLMAVXFVSA-N 2 1 301.478 2.756 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccccc1 ZINC000247118905 426903761 /nfs/dbraw/zinc/90/37/61/426903761.db2.gz RQAXYAMXHZWCOK-RHSMWYFYSA-N 2 1 312.417 2.683 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@H](C)C(=O)Nc1ccccc1 ZINC000247118905 426903765 /nfs/dbraw/zinc/90/37/65/426903765.db2.gz RQAXYAMXHZWCOK-RHSMWYFYSA-N 2 1 312.417 2.683 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000337665284 426909918 /nfs/dbraw/zinc/90/99/18/426909918.db2.gz LMJUVORQHUZZAO-AYOQOUSVSA-N 2 1 302.462 2.866 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@@H+]1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000337665284 426909928 /nfs/dbraw/zinc/90/99/28/426909928.db2.gz LMJUVORQHUZZAO-AYOQOUSVSA-N 2 1 302.462 2.866 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](CC[C@@H]2CCCO2)CC1 ZINC000189796440 426950919 /nfs/dbraw/zinc/95/09/19/426950919.db2.gz TVYKDEXCPMTBJL-SFHVURJKSA-N 2 1 312.498 2.626 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C(C)(C)C)n1 ZINC000317113015 426956285 /nfs/dbraw/zinc/95/62/85/426956285.db2.gz LFCQSBJRJAAFOL-HOCLYGCPSA-N 2 1 304.482 2.682 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(C(C)(C)C)n1 ZINC000317113015 426956290 /nfs/dbraw/zinc/95/62/90/426956290.db2.gz LFCQSBJRJAAFOL-HOCLYGCPSA-N 2 1 304.482 2.682 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC000268224063 426956773 /nfs/dbraw/zinc/95/67/73/426956773.db2.gz PBWSSTYEPACNQO-AWEZNQCLSA-N 2 1 323.506 2.517 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000317481982 426957196 /nfs/dbraw/zinc/95/71/96/426957196.db2.gz ZAZZMRGMTWZTPB-IJEWVQPXSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCCO2 ZINC000317481982 426957201 /nfs/dbraw/zinc/95/72/01/426957201.db2.gz ZAZZMRGMTWZTPB-IJEWVQPXSA-N 2 1 304.434 2.981 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@@H]3CCCC[C@H]32)CC1 ZINC000247685687 426957646 /nfs/dbraw/zinc/95/76/46/426957646.db2.gz UXKYFKVZZXUZCS-SOLBZPMBSA-N 2 1 321.509 2.628 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc(NC(N)=O)cc2)[C@@H](C)C1 ZINC000247960610 426968925 /nfs/dbraw/zinc/96/89/25/426968925.db2.gz GELXSTLMFXDLPQ-ZENOOKHLSA-N 2 1 304.438 2.558 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)[C@@H](C)C1 ZINC000248046798 426974589 /nfs/dbraw/zinc/97/45/89/426974589.db2.gz VJZJJRLEVKAFEI-FUHWJXTLSA-N 2 1 301.478 2.759 20 0 DFADMP Cc1oncc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000181735746 426976642 /nfs/dbraw/zinc/97/66/42/426976642.db2.gz FQNZVHZCJKDTOG-GASCZTMLSA-N 2 1 321.465 2.694 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCOC(C)C)CC2)C12CCC2 ZINC000181851649 426984734 /nfs/dbraw/zinc/98/47/34/426984734.db2.gz PAEYMZGCDTUFNJ-ZWKOTPCHSA-N 2 1 324.509 2.813 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248216309 426985372 /nfs/dbraw/zinc/98/53/72/426985372.db2.gz ZSCLKWXOCASEDH-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1F ZINC000248216309 426985379 /nfs/dbraw/zinc/98/53/79/426985379.db2.gz ZSCLKWXOCASEDH-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1F ZINC000248216309 426985385 /nfs/dbraw/zinc/98/53/85/426985385.db2.gz ZSCLKWXOCASEDH-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1F ZINC000248216309 426985392 /nfs/dbraw/zinc/98/53/92/426985392.db2.gz ZSCLKWXOCASEDH-WMLDXEAASA-N 2 1 320.408 2.528 20 0 DFADMP CN(Cc1nccs1)[C@H]1CC12CC[NH+](Cc1ccon1)CC2 ZINC000283310848 426993132 /nfs/dbraw/zinc/99/31/32/426993132.db2.gz XZQZOPDWUOACFB-AWEZNQCLSA-N 2 1 318.446 2.618 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916525 426996150 /nfs/dbraw/zinc/99/61/50/426996150.db2.gz NCMUVXNJRDKVNU-MRXNPFEDSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)(C)OC(=O)CCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000181916525 426996156 /nfs/dbraw/zinc/99/61/56/426996156.db2.gz NCMUVXNJRDKVNU-MRXNPFEDSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)F ZINC000276205144 427005143 /nfs/dbraw/zinc/00/51/43/427005143.db2.gz JXGMSQLNSYUEMF-GOEBONIOSA-N 2 1 312.404 2.768 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)F ZINC000276205144 427005151 /nfs/dbraw/zinc/00/51/51/427005151.db2.gz JXGMSQLNSYUEMF-GOEBONIOSA-N 2 1 312.404 2.768 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000248508751 427007334 /nfs/dbraw/zinc/00/73/34/427007334.db2.gz YIDWBFWTBWPIEA-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000182183393 427021537 /nfs/dbraw/zinc/02/15/37/427021537.db2.gz GERRCJQCYKRVGB-CVEARBPZSA-N 2 1 319.449 2.793 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)N1CC[C@H](CNc2ccccn2)C1 ZINC000182183393 427021542 /nfs/dbraw/zinc/02/15/42/427021542.db2.gz GERRCJQCYKRVGB-CVEARBPZSA-N 2 1 319.449 2.793 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248608858 427022844 /nfs/dbraw/zinc/02/28/44/427022844.db2.gz HBLRSAGPCDPOTP-JQHSSLGASA-N 2 1 316.445 2.625 20 0 DFADMP Cc1cncc(CN2CC[C@@H](Oc3cccnc3N(C)C)C2)c1 ZINC000296012076 427046047 /nfs/dbraw/zinc/04/60/47/427046047.db2.gz QNFIFBTYBGSWSE-MRXNPFEDSA-N 2 1 312.417 2.504 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccnc(OC)n1 ZINC000296040310 427053553 /nfs/dbraw/zinc/05/35/53/427053553.db2.gz NYZIOXNTAADMKE-UHFFFAOYSA-N 2 1 314.433 2.569 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH3+])CCC3)cc2)C1 ZINC000296081998 427069544 /nfs/dbraw/zinc/06/95/44/427069544.db2.gz QOIUORJHPUDQMX-CQSZACIVSA-N 2 1 301.434 2.738 20 0 DFADMP O[C@H](CCc1ccccc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182403741 427072864 /nfs/dbraw/zinc/07/28/64/427072864.db2.gz HUNBBFRCSNMKGC-VQTJNVASSA-N 2 1 316.489 2.930 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC[C@H]2CCCF)CC1 ZINC000337990644 427079047 /nfs/dbraw/zinc/07/90/47/427079047.db2.gz DMMFGHSDWMXTDX-ROUUACIJSA-N 2 1 313.505 2.768 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CCC2)C1 ZINC000338009041 427090857 /nfs/dbraw/zinc/09/08/57/427090857.db2.gz FQGZXNMINWQAEW-AQNXPRMDSA-N 2 1 314.473 2.922 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1ccccc1)c1cncnc1 ZINC000338015212 427093131 /nfs/dbraw/zinc/09/31/31/427093131.db2.gz GXSAQRQFEWGAFJ-SFHVURJKSA-N 2 1 307.401 2.751 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@@H](C)[C@H]3CCCC[C@H]32)CC1 ZINC000249297989 427103910 /nfs/dbraw/zinc/10/39/10/427103910.db2.gz RMSOVXWODOKRKQ-GUDVDZBRSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@H]1CSCC[N@@H+](CCC[NH+]2CCSC[C@@H](C)C2)C1 ZINC000190454116 427110986 /nfs/dbraw/zinc/11/09/86/427110986.db2.gz SMEHGVYHOVCUQH-GASCZTMLSA-N 2 1 302.553 2.746 20 0 DFADMP C[C@H]1CSCC[NH+](CCC[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000190454116 427110992 /nfs/dbraw/zinc/11/09/92/427110992.db2.gz SMEHGVYHOVCUQH-GASCZTMLSA-N 2 1 302.553 2.746 20 0 DFADMP C[C@H]1CSCC[NH+](CCC[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000190454116 427110994 /nfs/dbraw/zinc/11/09/94/427110994.db2.gz SMEHGVYHOVCUQH-GASCZTMLSA-N 2 1 302.553 2.746 20 0 DFADMP CC[C@@H]1[C@@H](C)CC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000249396735 427111872 /nfs/dbraw/zinc/11/18/72/427111872.db2.gz BCFAUGFMCGJSPX-CGTJXYLNSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)NC(=O)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000283995758 427114875 /nfs/dbraw/zinc/11/48/75/427114875.db2.gz HOWOSLDTXNICQT-UHFFFAOYSA-N 2 1 317.477 2.544 20 0 DFADMP Cc1ncsc1C[N@@H+](C)C[C@H]1CCN(Cc2ccccn2)C1 ZINC000190464978 427115973 /nfs/dbraw/zinc/11/59/73/427115973.db2.gz HEWPEMAHFNBBRU-OAHLLOKOSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@H+](Cc2ccccn2)C1 ZINC000190464978 427115980 /nfs/dbraw/zinc/11/59/80/427115980.db2.gz HEWPEMAHFNBBRU-OAHLLOKOSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccncc2)C1 ZINC000190461523 427116804 /nfs/dbraw/zinc/11/68/04/427116804.db2.gz FEWAUWHIQJGFRC-INIZCTEOSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(Cc2ccncc2)C1 ZINC000190461523 427116810 /nfs/dbraw/zinc/11/68/10/427116810.db2.gz FEWAUWHIQJGFRC-INIZCTEOSA-N 2 1 316.474 2.800 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)CC[N@@H+]1C ZINC000268797047 427118155 /nfs/dbraw/zinc/11/81/55/427118155.db2.gz WXSPCBKHZVRBJQ-DOTOQJQBSA-N 2 1 302.466 2.644 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)CC[N@H+]1C ZINC000268797047 427118160 /nfs/dbraw/zinc/11/81/60/427118160.db2.gz WXSPCBKHZVRBJQ-DOTOQJQBSA-N 2 1 302.466 2.644 20 0 DFADMP COCc1cc([C@H](C)[NH2+]CCn2cc[nH+]c2C)ccc1OC ZINC000268794091 427120039 /nfs/dbraw/zinc/12/00/39/427120039.db2.gz HERNCOGQGVQAEE-ZDUSSCGKSA-N 2 1 303.406 2.697 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000296253786 427127914 /nfs/dbraw/zinc/12/79/14/427127914.db2.gz DBMCQMCRAQAGPD-WMLDXEAASA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000296253786 427127918 /nfs/dbraw/zinc/12/79/18/427127918.db2.gz DBMCQMCRAQAGPD-WMLDXEAASA-N 2 1 317.477 2.622 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](CCCOCCc3ccccc3)C2)C1 ZINC000292206810 427131347 /nfs/dbraw/zinc/13/13/47/427131347.db2.gz SULDMTDWDTVDSY-IBGZPJMESA-N 2 1 302.462 2.663 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](CCCOCCc3ccccc3)C2)C1 ZINC000292206810 427131353 /nfs/dbraw/zinc/13/13/53/427131353.db2.gz SULDMTDWDTVDSY-IBGZPJMESA-N 2 1 302.462 2.663 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCOCCc3ccccc3)C2)C1 ZINC000292206810 427131364 /nfs/dbraw/zinc/13/13/64/427131364.db2.gz SULDMTDWDTVDSY-IBGZPJMESA-N 2 1 302.462 2.663 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCOCCc3ccccc3)C2)C1 ZINC000292206818 427132142 /nfs/dbraw/zinc/13/21/42/427132142.db2.gz SULDMTDWDTVDSY-LJQANCHMSA-N 2 1 302.462 2.663 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCOCCc3ccccc3)C2)C1 ZINC000292206818 427132146 /nfs/dbraw/zinc/13/21/46/427132146.db2.gz SULDMTDWDTVDSY-LJQANCHMSA-N 2 1 302.462 2.663 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCOCCc3ccccc3)C2)C1 ZINC000292206818 427132153 /nfs/dbraw/zinc/13/21/53/427132153.db2.gz SULDMTDWDTVDSY-LJQANCHMSA-N 2 1 302.462 2.663 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1SC ZINC000268832818 427134183 /nfs/dbraw/zinc/13/41/83/427134183.db2.gz KYASHDUJRKTYEX-UKRRQHHQSA-N 2 1 324.490 2.524 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)ccc1SC ZINC000268832816 427135012 /nfs/dbraw/zinc/13/50/12/427135012.db2.gz KYASHDUJRKTYEX-DZGCQCFKSA-N 2 1 324.490 2.524 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000268869412 427139703 /nfs/dbraw/zinc/13/97/03/427139703.db2.gz IJVIKDQHXIIKFG-WMZOPIPTSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(O)CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000268869412 427139708 /nfs/dbraw/zinc/13/97/08/427139708.db2.gz IJVIKDQHXIIKFG-WMZOPIPTSA-N 2 1 302.462 2.934 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2C[C@H](C)O[C@@H]2C)cc1F ZINC000296311075 427145366 /nfs/dbraw/zinc/14/53/66/427145366.db2.gz GPQXAJIAAIDXPN-HWWQOWPSSA-N 2 1 303.381 2.975 20 0 DFADMP C[C@H](O)C[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)c1ccccc1 ZINC000269043759 427150009 /nfs/dbraw/zinc/15/00/09/427150009.db2.gz XWSMGYWBSCPVSD-WCWVYFQPSA-N 2 1 304.478 2.859 20 0 DFADMP C[C@H](c1cccs1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251243138 427158416 /nfs/dbraw/zinc/15/84/16/427158416.db2.gz GQTTWSTUGKVDOP-KBMXLJTQSA-N 2 1 304.459 2.672 20 0 DFADMP C[C@H](c1cccs1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000251243138 427158421 /nfs/dbraw/zinc/15/84/21/427158421.db2.gz GQTTWSTUGKVDOP-KBMXLJTQSA-N 2 1 304.459 2.672 20 0 DFADMP CC[C@@H](C(=O)NCc1cccc(C[N@@H+](C)CC)c1)[NH+](CC)CC ZINC000265431225 271282524 /nfs/dbraw/zinc/28/25/24/271282524.db2.gz MZHRXFULGJFOJS-SFHVURJKSA-N 2 1 319.493 2.875 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000270538077 271306187 /nfs/dbraw/zinc/30/61/87/271306187.db2.gz WSYXINQSGWDXMM-INIZCTEOSA-N 2 1 306.425 2.998 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)CC1 ZINC000277353302 427175356 /nfs/dbraw/zinc/17/53/56/427175356.db2.gz WUHRLABLHRVXTO-MRXNPFEDSA-N 2 1 307.413 2.570 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000284317301 427180389 /nfs/dbraw/zinc/18/03/89/427180389.db2.gz JVRVJDNIBMEZLW-FUHWJXTLSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCC2(O)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000284317301 427180394 /nfs/dbraw/zinc/18/03/94/427180394.db2.gz JVRVJDNIBMEZLW-FUHWJXTLSA-N 2 1 302.462 2.934 20 0 DFADMP OC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000284361199 427189395 /nfs/dbraw/zinc/18/93/95/427189395.db2.gz NAMMMLKBCDAENR-CEXWTWQISA-N 2 1 314.473 2.792 20 0 DFADMP OC1(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000284361205 427190775 /nfs/dbraw/zinc/19/07/75/427190775.db2.gz NAMMMLKBCDAENR-GUDVDZBRSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000292767219 427198862 /nfs/dbraw/zinc/19/88/62/427198862.db2.gz JIYOLOLUJZRZOI-MJGOQNOKSA-N 2 1 320.452 2.537 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nccn1-c1ccccc1 ZINC000190953435 427212261 /nfs/dbraw/zinc/21/22/61/427212261.db2.gz QXEVZZTUDHTZDJ-OAHLLOKOSA-N 2 1 309.417 2.803 20 0 DFADMP CC(C)CC[NH+](CCC(=O)N1CC[NH+](C)CC1)CCC(C)C ZINC000338262212 427222070 /nfs/dbraw/zinc/22/20/70/427222070.db2.gz GVJJGPXJCURHLG-UHFFFAOYSA-N 2 1 311.514 2.545 20 0 DFADMP CN(C(=O)CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C)c1ccccc1 ZINC000285457642 427237639 /nfs/dbraw/zinc/23/76/39/427237639.db2.gz JNQQXASPYZUYIX-JWTNVVGKSA-N 2 1 315.461 2.597 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183387971 427261458 /nfs/dbraw/zinc/26/14/58/427261458.db2.gz IXRIANROVCZUKJ-HNNXBMFYSA-N 2 1 318.465 2.532 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000269804011 427279996 /nfs/dbraw/zinc/27/99/96/427279996.db2.gz KKRZORKODQVVHY-YSIASYRMSA-N 2 1 314.473 2.815 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC=CCC1 ZINC000269804011 427280003 /nfs/dbraw/zinc/28/00/03/427280003.db2.gz KKRZORKODQVVHY-YSIASYRMSA-N 2 1 314.473 2.815 20 0 DFADMP CCN(C)c1ccc(CNC[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000191452276 427352661 /nfs/dbraw/zinc/35/26/61/427352661.db2.gz FGRAIPVYVYPZNN-SFHVURJKSA-N 2 1 318.509 2.995 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)cn1 ZINC000191452276 427352666 /nfs/dbraw/zinc/35/26/66/427352666.db2.gz FGRAIPVYVYPZNN-SFHVURJKSA-N 2 1 318.509 2.995 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000191452276 427352669 /nfs/dbraw/zinc/35/26/69/427352669.db2.gz FGRAIPVYVYPZNN-SFHVURJKSA-N 2 1 318.509 2.995 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000262147978 427352694 /nfs/dbraw/zinc/35/26/94/427352694.db2.gz QRLOKGSBZVYCIA-JZXOWHBKSA-N 2 1 323.525 2.863 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293451160 427328418 /nfs/dbraw/zinc/32/84/18/427328418.db2.gz VVYPBAGMTNDPAZ-UHFFFAOYSA-N 2 1 304.478 2.744 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000191398902 427342359 /nfs/dbraw/zinc/34/23/59/427342359.db2.gz MKLZECMESOMCKG-DOTOQJQBSA-N 2 1 304.482 2.841 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cn1 ZINC000191398902 427342363 /nfs/dbraw/zinc/34/23/63/427342363.db2.gz MKLZECMESOMCKG-DOTOQJQBSA-N 2 1 304.482 2.841 20 0 DFADMP COc1c(C)c[nH+]c(CN(CC[NH3+])CCc2ccccc2)c1C ZINC000261855390 427342877 /nfs/dbraw/zinc/34/28/77/427342877.db2.gz YRDADXUSBAJADR-UHFFFAOYSA-N 2 1 313.445 2.710 20 0 DFADMP C[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1CN(c1ccccn1)C2 ZINC000270417757 427350097 /nfs/dbraw/zinc/35/00/97/427350097.db2.gz FQRHHCFWGJHOSZ-KRWDZBQOSA-N 2 1 322.412 2.635 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCN(C/C=C\c2ccccc2)CC1 ZINC000255869459 427297353 /nfs/dbraw/zinc/29/73/53/427297353.db2.gz JRRUNDJULNTKCK-FMSOUQGNSA-N 2 1 313.489 2.802 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255869459 427297358 /nfs/dbraw/zinc/29/73/58/427297358.db2.gz JRRUNDJULNTKCK-FMSOUQGNSA-N 2 1 313.489 2.802 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CC[NH+](C/C=C\c2ccccc2)CC1 ZINC000255869459 427297363 /nfs/dbraw/zinc/29/73/63/427297363.db2.gz JRRUNDJULNTKCK-FMSOUQGNSA-N 2 1 313.489 2.802 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1)C(C)C ZINC000262790936 427371869 /nfs/dbraw/zinc/37/18/69/427371869.db2.gz NELMYZKDARICBG-CVEARBPZSA-N 2 1 317.477 2.739 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1)C(C)C ZINC000262790947 427371965 /nfs/dbraw/zinc/37/19/65/427371965.db2.gz NELMYZKDARICBG-JKSUJKDBSA-N 2 1 317.477 2.739 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000191536436 427372798 /nfs/dbraw/zinc/37/27/98/427372798.db2.gz NTHKHSBPWIENLD-GOSISDBHSA-N 2 1 312.498 2.768 20 0 DFADMP COc1cc(CN(CC[C@H]2CCC[N@H+]2C)C2CC2)ccc1O ZINC000271033111 427379141 /nfs/dbraw/zinc/37/91/41/427379141.db2.gz QXVCCGWZLVECEA-OAHLLOKOSA-N 2 1 304.434 2.850 20 0 DFADMP COc1cc(C[N@H+](CC[C@H]2CCC[NH+]2C)C2CC2)ccc1O ZINC000271033111 427379147 /nfs/dbraw/zinc/37/91/47/427379147.db2.gz QXVCCGWZLVECEA-OAHLLOKOSA-N 2 1 304.434 2.850 20 0 DFADMP COc1cc(C[N@@H+](CC[C@H]2CCC[NH+]2C)C2CC2)ccc1O ZINC000271033111 427379155 /nfs/dbraw/zinc/37/91/55/427379155.db2.gz QXVCCGWZLVECEA-OAHLLOKOSA-N 2 1 304.434 2.850 20 0 DFADMP COc1cc(C[NH+](CC[C@H]2CCC[N@@H+]2C)C2CC2)ccc1O ZINC000271033111 427379160 /nfs/dbraw/zinc/37/91/60/427379160.db2.gz QXVCCGWZLVECEA-OAHLLOKOSA-N 2 1 304.434 2.850 20 0 DFADMP COc1cc(C[NH+](CC[C@H]2CCC[N@H+]2C)C2CC2)ccc1O ZINC000271033111 427379164 /nfs/dbraw/zinc/37/91/64/427379164.db2.gz QXVCCGWZLVECEA-OAHLLOKOSA-N 2 1 304.434 2.850 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000293623104 427384584 /nfs/dbraw/zinc/38/45/84/427384584.db2.gz FXHYGDOGDULFNV-ATZDWAIDSA-N 2 1 302.462 2.912 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1)C(C)C ZINC000262973319 427388076 /nfs/dbraw/zinc/38/80/76/427388076.db2.gz XVBMIXOCBTUVJY-YJBOKZPZSA-N 2 1 317.477 2.787 20 0 DFADMP Cn1cncc1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000297636950 427415978 /nfs/dbraw/zinc/41/59/78/427415978.db2.gz MJWJAODOKMUIFB-FQEVSTJZSA-N 2 1 324.472 2.561 20 0 DFADMP Cn1cncc1CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000297636950 427415984 /nfs/dbraw/zinc/41/59/84/427415984.db2.gz MJWJAODOKMUIFB-FQEVSTJZSA-N 2 1 324.472 2.561 20 0 DFADMP Cn1cncc1CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000297636950 427415992 /nfs/dbraw/zinc/41/59/92/427415992.db2.gz MJWJAODOKMUIFB-FQEVSTJZSA-N 2 1 324.472 2.561 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccc3occc3c2)CC1(C)C ZINC000285847552 427354763 /nfs/dbraw/zinc/35/47/63/427354763.db2.gz HWUKRQSYYJLKIL-UHFFFAOYSA-N 2 1 301.434 2.548 20 0 DFADMP C[C@H](CC(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[C@H]1CCC[NH2+]C1 ZINC000262660474 427368606 /nfs/dbraw/zinc/36/86/06/427368606.db2.gz NNBPLCVQEYLTON-KURKYZTESA-N 2 1 323.525 2.641 20 0 DFADMP CC[C@H](C(=O)OC(C)(C)C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000191943588 427449606 /nfs/dbraw/zinc/44/96/06/427449606.db2.gz VPIOANTWMWJCKO-MRXNPFEDSA-N 2 1 310.482 2.915 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C(=O)OC)cs2)C1 ZINC000286197993 427453153 /nfs/dbraw/zinc/45/31/53/427453153.db2.gz RMWHBAXLHUHQPZ-OLZOCXBDSA-N 2 1 310.463 2.917 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cc(C(=O)OC)cs2)C1 ZINC000286197993 427453160 /nfs/dbraw/zinc/45/31/60/427453160.db2.gz RMWHBAXLHUHQPZ-OLZOCXBDSA-N 2 1 310.463 2.917 20 0 DFADMP Cn1cncc1CC[N@H+]1CCO[C@@H](c2ccc(Cl)cc2)C1 ZINC000297779772 427453460 /nfs/dbraw/zinc/45/34/60/427453460.db2.gz MOFRGQGPHVPFMQ-MRXNPFEDSA-N 2 1 305.809 2.690 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H](N2CCCC2)C1 ZINC000191984912 427457089 /nfs/dbraw/zinc/45/70/89/427457089.db2.gz BTPPNSQLVVFMQY-LJQANCHMSA-N 2 1 310.445 2.851 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)cnc21 ZINC000278812746 427461294 /nfs/dbraw/zinc/46/12/94/427461294.db2.gz RZUQSZHPJFIOGS-ALOPSCKCSA-N 2 1 313.449 2.727 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)cnc21 ZINC000278812746 427461296 /nfs/dbraw/zinc/46/12/96/427461296.db2.gz RZUQSZHPJFIOGS-ALOPSCKCSA-N 2 1 313.449 2.727 20 0 DFADMP CC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000293901341 427482877 /nfs/dbraw/zinc/48/28/77/427482877.db2.gz ZPUCCHXTVMXAMY-YDZRNGNQSA-N 2 1 302.462 2.648 20 0 DFADMP CC/C=C/CC[NH+]1CCC(CC(=O)N2CC[NH+](CC)CC2)CC1 ZINC000184541699 427483884 /nfs/dbraw/zinc/48/38/84/427483884.db2.gz CVLLPDIREQQYFT-AATRIKPKSA-N 2 1 321.509 2.609 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297483 427485201 /nfs/dbraw/zinc/48/52/01/427485201.db2.gz WNHZCXDALLDVPZ-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000278158469 427420458 /nfs/dbraw/zinc/42/04/58/427420458.db2.gz ATJZPWONMPATNF-XYJFISCASA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000278158469 427420463 /nfs/dbraw/zinc/42/04/63/427420463.db2.gz ATJZPWONMPATNF-XYJFISCASA-N 2 1 312.461 2.981 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCn2ccnc21 ZINC000297657027 427421853 /nfs/dbraw/zinc/42/18/53/427421853.db2.gz KLCGVVVDCFTJAG-NJAFHUGGSA-N 2 1 310.445 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCn2ccnc21 ZINC000297657031 427422088 /nfs/dbraw/zinc/42/20/88/427422088.db2.gz KLCGVVVDCFTJAG-NXHRZFHOSA-N 2 1 310.445 2.828 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)CC1(C[NH3+])CCCCC1 ZINC000184241210 427422558 /nfs/dbraw/zinc/42/25/58/427422558.db2.gz XYULZHGYFKRVBD-INIZCTEOSA-N 2 1 309.498 2.619 20 0 DFADMP CC[C@H]([NH2+]CCn1cc[nH+]c1C)c1ccc(C(=O)OC)cc1 ZINC000293779619 427432986 /nfs/dbraw/zinc/43/29/86/427432986.db2.gz QBOCCZXPQNZWPB-INIZCTEOSA-N 2 1 301.390 2.719 20 0 DFADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805717 427442312 /nfs/dbraw/zinc/44/23/12/427442312.db2.gz VHXJBYPSSQKAJB-AFYVEPGGSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000293805717 427442319 /nfs/dbraw/zinc/44/23/19/427442319.db2.gz VHXJBYPSSQKAJB-AFYVEPGGSA-N 3 1 315.505 2.969 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286178768 427445563 /nfs/dbraw/zinc/44/55/63/427445563.db2.gz XBAFLDCNOIAEPD-QYZOEREBSA-N 2 1 311.429 2.696 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)[C@@H]2COCC[C@@H]21 ZINC000286178768 427445571 /nfs/dbraw/zinc/44/55/71/427445571.db2.gz XBAFLDCNOIAEPD-QYZOEREBSA-N 2 1 311.429 2.696 20 0 DFADMP Cc1cncc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000184361843 427446047 /nfs/dbraw/zinc/44/60/47/427446047.db2.gz NGWQIBHXNXDVSP-HOTGVXAUSA-N 2 1 303.450 2.542 20 0 DFADMP c1c[nH]c([C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ccccc2)n1 ZINC000278896543 427494115 /nfs/dbraw/zinc/49/41/15/427494115.db2.gz FHJIBPFXQCRAIT-YOEHRIQHSA-N 2 1 307.401 2.548 20 0 DFADMP Cc1c(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)cnn1C ZINC000278916610 427498730 /nfs/dbraw/zinc/49/87/30/427498730.db2.gz RBTXNUOVGBIZOX-UHFFFAOYSA-N 2 1 313.449 2.641 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000278943258 427506797 /nfs/dbraw/zinc/50/67/97/427506797.db2.gz KMCQVHWSPMBZRL-OLZOCXBDSA-N 2 1 303.381 2.944 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1)C(C)C ZINC000294041060 427532987 /nfs/dbraw/zinc/53/29/87/427532987.db2.gz FOYNSVSKRADOIN-MRXNPFEDSA-N 2 1 319.493 2.844 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC[N@@H+]1C ZINC000332185327 427538330 /nfs/dbraw/zinc/53/83/30/427538330.db2.gz BCGAGRFTQHQJBL-XPKDYRNWSA-N 2 1 303.450 2.943 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(C)(C)Oc3ccc(N)cc32)CC[N@H+]1C ZINC000332185327 427538333 /nfs/dbraw/zinc/53/83/33/427538333.db2.gz BCGAGRFTQHQJBL-XPKDYRNWSA-N 2 1 303.450 2.943 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)C2 ZINC000192439032 427538931 /nfs/dbraw/zinc/53/89/31/427538931.db2.gz CNCVBOKDHRXXJL-HOCLYGCPSA-N 2 1 300.446 2.626 20 0 DFADMP Cc1cnn(C)c1CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000286680837 427541714 /nfs/dbraw/zinc/54/17/14/427541714.db2.gz VNBVGCUDUPZHPN-MRXNPFEDSA-N 2 1 300.450 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]CC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000286680837 427541721 /nfs/dbraw/zinc/54/17/21/427541721.db2.gz VNBVGCUDUPZHPN-MRXNPFEDSA-N 2 1 300.450 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000286680837 427541726 /nfs/dbraw/zinc/54/17/26/427541726.db2.gz VNBVGCUDUPZHPN-MRXNPFEDSA-N 2 1 300.450 2.729 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](CC)C2)cc1 ZINC000263710593 427546487 /nfs/dbraw/zinc/54/64/87/427546487.db2.gz QMYSBMVWBVILNZ-KRWDZBQOSA-N 2 1 317.477 2.600 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H]2CCOC[C@@H]2C)CC1 ZINC000192481439 427548867 /nfs/dbraw/zinc/54/88/67/427548867.db2.gz CHMKALKOOKDRSM-LPHOPBHVSA-N 2 1 302.462 2.974 20 0 DFADMP COc1ccc(COCCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192810160 427616061 /nfs/dbraw/zinc/61/60/61/427616061.db2.gz ARCGUTALPXJLFR-AYHJJNSGSA-N 2 1 318.461 2.817 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000192827883 427619434 /nfs/dbraw/zinc/61/94/34/427619434.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 3 1 301.478 2.853 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192827883 427619438 /nfs/dbraw/zinc/61/94/38/427619438.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 3 1 301.478 2.853 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192827883 427619447 /nfs/dbraw/zinc/61/94/47/427619447.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 3 1 301.478 2.853 20 0 DFADMP CC[N@H+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000192827883 427619452 /nfs/dbraw/zinc/61/94/52/427619452.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 2 1 301.478 2.853 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[NH+]3C)c1 ZINC000192827883 427619458 /nfs/dbraw/zinc/61/94/58/427619458.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 2 1 301.478 2.853 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000192827883 427619465 /nfs/dbraw/zinc/61/94/65/427619465.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 2 1 301.478 2.853 20 0 DFADMP CC[NH+](C)Cc1cccc(CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000192827883 427619470 /nfs/dbraw/zinc/61/94/70/427619470.db2.gz NSNXPZNZSUYQOD-YQQQUEKLSA-N 2 1 301.478 2.853 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271503707 427562547 /nfs/dbraw/zinc/56/25/47/427562547.db2.gz MKZOXEXZTIWABS-DNVCBOLYSA-N 2 1 320.452 2.990 20 0 DFADMP c1cc2c(nc[nH+]c2NCC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000271510884 427567531 /nfs/dbraw/zinc/56/75/31/427567531.db2.gz YTKXJHMTTXJKGB-UHFFFAOYSA-N 2 1 308.389 2.681 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@@H](O)c1c(F)cccc1F ZINC000298320993 427568751 /nfs/dbraw/zinc/56/87/51/427568751.db2.gz IIHALJGBGFLBAZ-FUHWJXTLSA-N 2 1 324.415 2.993 20 0 DFADMP C[NH+](CC1CCOCC1)[C@H]1CCC[N@H+](CC2CCOCC2)CC1 ZINC000338938250 427568980 /nfs/dbraw/zinc/56/89/80/427568980.db2.gz ILMHPUHMJRDYAE-IBGZPJMESA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC1CCOCC1)[C@H]1CCC[N@@H+](CC2CCOCC2)CC1 ZINC000338938250 427568985 /nfs/dbraw/zinc/56/89/85/427568985.db2.gz ILMHPUHMJRDYAE-IBGZPJMESA-N 2 1 324.509 2.626 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H](O)c1c(F)cccc1F ZINC000298321003 427569420 /nfs/dbraw/zinc/56/94/20/427569420.db2.gz IIHALJGBGFLBAZ-WMZOPIPTSA-N 2 1 324.415 2.993 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308290 427573964 /nfs/dbraw/zinc/57/39/64/427573964.db2.gz CVEKPHOUQDBTRH-HOTGVXAUSA-N 2 1 313.449 2.650 20 0 DFADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cccnc1 ZINC000185014344 427576565 /nfs/dbraw/zinc/57/65/65/427576565.db2.gz WRNLIEDKJCDJGF-IBGZPJMESA-N 2 1 318.509 2.930 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271913559 427596009 /nfs/dbraw/zinc/59/60/09/427596009.db2.gz YKNLZTKNIMRYPT-AWEZNQCLSA-N 2 1 302.418 2.588 20 0 DFADMP CC[NH+]1CCC(N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)CC1 ZINC000287393859 427599598 /nfs/dbraw/zinc/59/95/98/427599598.db2.gz QIVKEDSLQSFNET-LPHOPBHVSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc(C)c(O)c(C)c2)CC1 ZINC000298405046 427600004 /nfs/dbraw/zinc/60/00/04/427600004.db2.gz LCRDQDLNWTXQDJ-UHFFFAOYSA-N 2 1 319.493 2.516 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192923588 427636720 /nfs/dbraw/zinc/63/67/20/427636720.db2.gz DIBPOLFZFMLWJU-MJGOQNOKSA-N 2 1 312.461 2.773 20 0 DFADMP COCc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000339042877 427642708 /nfs/dbraw/zinc/64/27/08/427642708.db2.gz CEPPVBZOWPIELR-GUDVDZBRSA-N 2 1 318.461 2.517 20 0 DFADMP CCc1cc(N2CCC([N@@H+](C)CCO)CC2)c2ccccc2[nH+]1 ZINC000272141332 427646739 /nfs/dbraw/zinc/64/67/39/427646739.db2.gz AXLBDRGIOLYPOL-UHFFFAOYSA-N 2 1 313.445 2.690 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CCO)CC2)c2cc(F)ccc2[nH+]1 ZINC000272178024 427662859 /nfs/dbraw/zinc/66/28/59/427662859.db2.gz IOLDBOJNORMQGF-UHFFFAOYSA-N 2 1 317.408 2.575 20 0 DFADMP c1cnn(Cc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2)c1 ZINC000339072134 427663079 /nfs/dbraw/zinc/66/30/79/427663079.db2.gz TXGROKIMTFVVCJ-OALUTQOASA-N 2 1 310.445 2.648 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000342549853 272021932 /nfs/dbraw/zinc/02/19/32/272021932.db2.gz SCDQIDLTFQBKRU-MRXNPFEDSA-N 2 1 312.417 2.542 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000342549853 272021933 /nfs/dbraw/zinc/02/19/33/272021933.db2.gz SCDQIDLTFQBKRU-MRXNPFEDSA-N 2 1 312.417 2.542 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298646616 427668961 /nfs/dbraw/zinc/66/89/61/427668961.db2.gz XCRVYIBAKZOJJI-ZWKOTPCHSA-N 2 1 317.477 2.793 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298646616 427668966 /nfs/dbraw/zinc/66/89/66/427668966.db2.gz XCRVYIBAKZOJJI-ZWKOTPCHSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298646616 427668974 /nfs/dbraw/zinc/66/89/74/427668974.db2.gz XCRVYIBAKZOJJI-ZWKOTPCHSA-N 2 1 317.477 2.793 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](C[C@H]2CCC(C)(C)O2)C1 ZINC000298646616 427668983 /nfs/dbraw/zinc/66/89/83/427668983.db2.gz XCRVYIBAKZOJJI-ZWKOTPCHSA-N 2 1 317.477 2.793 20 0 DFADMP CCC1CC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000342722022 272047003 /nfs/dbraw/zinc/04/70/03/272047003.db2.gz DJSRWCQQDCTQGC-IOXAMRCBSA-N 2 1 302.462 2.648 20 0 DFADMP CCC1CC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000342722022 272047006 /nfs/dbraw/zinc/04/70/06/272047006.db2.gz DJSRWCQQDCTQGC-IOXAMRCBSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H]1CNc1cc[nH+]cc1Br ZINC000342778619 272052901 /nfs/dbraw/zinc/05/29/01/272052901.db2.gz JPTNJZWIIRXQNA-LBPRGKRZSA-N 2 1 312.255 2.798 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNc1cc[nH+]cc1Br ZINC000342778619 272052903 /nfs/dbraw/zinc/05/29/03/272052903.db2.gz JPTNJZWIIRXQNA-LBPRGKRZSA-N 2 1 312.255 2.798 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1 ZINC000272207634 427670986 /nfs/dbraw/zinc/67/09/86/427670986.db2.gz HFRSGVFMJPITIO-YJBOKZPZSA-N 2 1 317.477 2.728 20 0 DFADMP Fc1cccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000343250499 272105070 /nfs/dbraw/zinc/10/50/70/272105070.db2.gz ZAGAVUOHQQNHJU-KSZLIROESA-N 2 1 306.425 2.505 20 0 DFADMP CCc1cc(N(C)C[C@H]2C[C@H](OC)C[N@H+]2C)c2ccccc2[nH+]1 ZINC000343299281 272115407 /nfs/dbraw/zinc/11/54/07/272115407.db2.gz BDZGILDLYMDDOK-CVEARBPZSA-N 2 1 313.445 2.953 20 0 DFADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CCC[NH+](C)C1 ZINC000193239734 427676953 /nfs/dbraw/zinc/67/69/53/427676953.db2.gz AQGYUINXPDATNH-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@H+](C)C1 ZINC000193239734 427676959 /nfs/dbraw/zinc/67/69/59/427676959.db2.gz AQGYUINXPDATNH-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@@H]1CCC[N@@H+](C)C1 ZINC000193239734 427676968 /nfs/dbraw/zinc/67/69/68/427676968.db2.gz AQGYUINXPDATNH-KRWDZBQOSA-N 2 1 302.462 2.828 20 0 DFADMP CO[C@H](C)CC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000295053170 427673577 /nfs/dbraw/zinc/67/35/77/427673577.db2.gz PTLVHFBHZQXCLX-NXWXRZEISA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000343466361 272154247 /nfs/dbraw/zinc/15/42/47/272154247.db2.gz JWCULMZQDXTKPR-SOLBZPMBSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCC[N@@H+](Cc2cccc3nccn32)C1 ZINC000185581246 427674671 /nfs/dbraw/zinc/67/46/71/427674671.db2.gz OLPNMKLPXKEYIJ-OAHLLOKOSA-N 2 1 315.417 2.888 20 0 DFADMP CC(C)OC(=O)C[C@H]1CCCN(Cc2cccc3nccn32)C1 ZINC000185581246 427674677 /nfs/dbraw/zinc/67/46/77/427674677.db2.gz OLPNMKLPXKEYIJ-OAHLLOKOSA-N 2 1 315.417 2.888 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000343558276 272169360 /nfs/dbraw/zinc/16/93/60/272169360.db2.gz UZFQQPSSHVOBEO-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000343558276 272169361 /nfs/dbraw/zinc/16/93/61/272169361.db2.gz UZFQQPSSHVOBEO-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000343558276 272169362 /nfs/dbraw/zinc/16/93/62/272169362.db2.gz UZFQQPSSHVOBEO-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC[C@@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000343558276 272169363 /nfs/dbraw/zinc/16/93/63/272169363.db2.gz UZFQQPSSHVOBEO-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000343558279 272169463 /nfs/dbraw/zinc/16/94/63/272169463.db2.gz UZFQQPSSHVOBEO-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000343558279 272169464 /nfs/dbraw/zinc/16/94/64/272169464.db2.gz UZFQQPSSHVOBEO-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000343558279 272169465 /nfs/dbraw/zinc/16/94/65/272169465.db2.gz UZFQQPSSHVOBEO-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CCC[NH+]1CCC[C@H]1CNC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000343558279 272169466 /nfs/dbraw/zinc/16/94/66/272169466.db2.gz UZFQQPSSHVOBEO-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1)C1CC1 ZINC000343586493 272177241 /nfs/dbraw/zinc/17/72/41/272177241.db2.gz PESRXDGIBRUFLZ-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000343586493 272177242 /nfs/dbraw/zinc/17/72/42/272177242.db2.gz PESRXDGIBRUFLZ-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000343586493 272177244 /nfs/dbraw/zinc/17/72/44/272177244.db2.gz PESRXDGIBRUFLZ-SFHVURJKSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1)C1CC1 ZINC000343586492 272177529 /nfs/dbraw/zinc/17/75/29/272177529.db2.gz PESRXDGIBRUFLZ-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)C1CC1 ZINC000343586492 272177531 /nfs/dbraw/zinc/17/75/31/272177531.db2.gz PESRXDGIBRUFLZ-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)C1CC1 ZINC000343586492 272177533 /nfs/dbraw/zinc/17/75/33/272177533.db2.gz PESRXDGIBRUFLZ-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343632389 272189221 /nfs/dbraw/zinc/18/92/21/272189221.db2.gz RYPORHSVIBKIQH-ZIAGYGMSSA-N 2 1 314.458 2.922 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343632389 272189223 /nfs/dbraw/zinc/18/92/23/272189223.db2.gz RYPORHSVIBKIQH-ZIAGYGMSSA-N 2 1 314.458 2.922 20 0 DFADMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000343743888 272210241 /nfs/dbraw/zinc/21/02/41/272210241.db2.gz WBCCLSKIOOTITP-OAQYLSRUSA-N 2 1 306.475 2.531 20 0 DFADMP Cc1nc2[nH]ccc2c(N(C)CCC[N@@H+](C)Cc2ccco2)n1 ZINC000343807183 272223939 /nfs/dbraw/zinc/22/39/39/272223939.db2.gz KSJKMUNTMLGJCO-UHFFFAOYSA-N 2 1 313.405 2.818 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000343820931 272226526 /nfs/dbraw/zinc/22/65/26/272226526.db2.gz IGHVDZRAAGOKEH-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000343820931 272226527 /nfs/dbraw/zinc/22/65/27/272226527.db2.gz IGHVDZRAAGOKEH-RDJZCZTQSA-N 2 1 305.466 2.526 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888287 272232123 /nfs/dbraw/zinc/23/21/23/272232123.db2.gz OWVGMMHJUNTLJL-GJYPPUQNSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343888287 272232124 /nfs/dbraw/zinc/23/21/24/272232124.db2.gz OWVGMMHJUNTLJL-GJYPPUQNSA-N 2 1 319.468 2.845 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000298706187 427681272 /nfs/dbraw/zinc/68/12/72/427681272.db2.gz REUYNPWTHACZBC-ZDUSSCGKSA-N 2 1 318.396 2.728 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccc(C)cc1 ZINC000344143216 272272523 /nfs/dbraw/zinc/27/25/23/272272523.db2.gz MSCLHMHGWLGMCC-UHFFFAOYSA-N 2 1 303.494 2.845 20 0 DFADMP CCC[N@H+](CCN1CC[NH+](CC)CC1)Cc1nc(C)c(C)s1 ZINC000344162167 272277101 /nfs/dbraw/zinc/27/71/01/272277101.db2.gz ZAGXKMOMHSPXHK-UHFFFAOYSA-N 2 1 324.538 2.609 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1nc(C)c(C)s1 ZINC000344162167 272277104 /nfs/dbraw/zinc/27/71/04/272277104.db2.gz ZAGXKMOMHSPXHK-UHFFFAOYSA-N 2 1 324.538 2.609 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccco1 ZINC000344165474 272277483 /nfs/dbraw/zinc/27/74/83/272277483.db2.gz ZGPVXWWRIOLJCT-OWCLPIDISA-N 2 1 321.465 2.509 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C12CCC2 ZINC000344168792 272278964 /nfs/dbraw/zinc/27/89/64/272278964.db2.gz LMKYHENKUWWGBQ-SJORKVTESA-N 2 1 322.493 2.569 20 0 DFADMP CC(C)=CCC[C@@H](C)CC[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000193291766 427683345 /nfs/dbraw/zinc/68/33/45/427683345.db2.gz UJVNTOSNPSSAES-QGZVFWFLSA-N 2 1 309.498 2.513 20 0 DFADMP CC(C)[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCC(C)CC1 ZINC000344568249 272339706 /nfs/dbraw/zinc/33/97/06/272339706.db2.gz DMQFFFOBHZJCET-KSZLIROESA-N 2 1 323.525 2.732 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CC[NH+](C2CCC2)C[C@@H](C)C1 ZINC000344719601 272360230 /nfs/dbraw/zinc/36/02/30/272360230.db2.gz YMHDFVGOSHJPIE-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CC[N@@H+](C2CCC2)C[C@@H](C)C1 ZINC000344719601 272360231 /nfs/dbraw/zinc/36/02/31/272360231.db2.gz YMHDFVGOSHJPIE-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1 ZINC000344719601 272360232 /nfs/dbraw/zinc/36/02/32/272360232.db2.gz YMHDFVGOSHJPIE-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000193313875 427682322 /nfs/dbraw/zinc/68/23/22/427682322.db2.gz DEHNEPPIGZXATQ-RYRKJORJSA-N 2 1 317.477 2.625 20 0 DFADMP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1CCCCCC1 ZINC000344740261 272364294 /nfs/dbraw/zinc/36/42/94/272364294.db2.gz LCSPAAIDYCLGOZ-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2ccc(C)cc2OCCCOC)C1 ZINC000344924668 272385986 /nfs/dbraw/zinc/38/59/86/272385986.db2.gz WGPIZZZUFJSBGE-FUHWJXTLSA-N 2 1 320.477 2.840 20 0 DFADMP COc1ccncc1CN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000287777755 427690081 /nfs/dbraw/zinc/69/00/81/427690081.db2.gz NHEDNYJUERBHKW-WMLDXEAASA-N 2 1 301.434 2.539 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743852 427698730 /nfs/dbraw/zinc/69/87/30/427698730.db2.gz RULDFLQLFMDPOL-XKGZKEIXSA-N 2 1 316.489 2.833 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)no1 ZINC000333882786 427700626 /nfs/dbraw/zinc/70/06/26/427700626.db2.gz UYBUJOAJJIEKHG-ZBFHGGJFSA-N 2 1 321.465 2.690 20 0 DFADMP Cc1cc(OCCN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)ccc1C(C)C ZINC000193629231 427702998 /nfs/dbraw/zinc/70/29/98/427702998.db2.gz ITQJECMNXLMGBD-CALCHBBNSA-N 2 1 302.462 2.991 20 0 DFADMP Cc1cc(OCC[N@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1C(C)C ZINC000193629231 427703004 /nfs/dbraw/zinc/70/30/04/427703004.db2.gz ITQJECMNXLMGBD-CALCHBBNSA-N 2 1 302.462 2.991 20 0 DFADMP Cc1cc(OCC[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)ccc1C(C)C ZINC000193629231 427703009 /nfs/dbraw/zinc/70/30/09/427703009.db2.gz ITQJECMNXLMGBD-CALCHBBNSA-N 2 1 302.462 2.991 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162414 427711245 /nfs/dbraw/zinc/71/12/45/427711245.db2.gz BSBIKBXMLIKPKZ-DZGCQCFKSA-N 2 1 321.431 2.723 20 0 DFADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000339358389 427758849 /nfs/dbraw/zinc/75/88/49/427758849.db2.gz GVOZLESGDXMZCO-MRXNPFEDSA-N 2 1 323.525 2.687 20 0 DFADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC(C)(C)C1 ZINC000339358389 427758850 /nfs/dbraw/zinc/75/88/50/427758850.db2.gz GVOZLESGDXMZCO-MRXNPFEDSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1cnn(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000336863457 427766307 /nfs/dbraw/zinc/76/63/07/427766307.db2.gz IHOWHLFCWYLZPY-MSOLQXFVSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000336863457 427766309 /nfs/dbraw/zinc/76/63/09/427766309.db2.gz IHOWHLFCWYLZPY-MSOLQXFVSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000336863457 427766310 /nfs/dbraw/zinc/76/63/10/427766310.db2.gz IHOWHLFCWYLZPY-MSOLQXFVSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000336863457 427766312 /nfs/dbraw/zinc/76/63/12/427766312.db2.gz IHOWHLFCWYLZPY-MSOLQXFVSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1ccc(C)c(CNC[C@@H](O)C[N@@H+]2CCc3ccccc3C2)c1 ZINC000339546169 427791007 /nfs/dbraw/zinc/79/10/07/427791007.db2.gz KBZCAWWQMSPSEM-OAQYLSRUSA-N 2 1 324.468 2.812 20 0 DFADMP Cc1ccc(C)c(CNC[C@@H](O)C[N@H+]2CCc3ccccc3C2)c1 ZINC000339546169 427791008 /nfs/dbraw/zinc/79/10/08/427791008.db2.gz KBZCAWWQMSPSEM-OAQYLSRUSA-N 2 1 324.468 2.812 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)C[C@@H]21 ZINC000339407910 427769370 /nfs/dbraw/zinc/76/93/70/427769370.db2.gz QDMXKDWHUKXVTQ-OKZBNKHCSA-N 2 1 300.446 2.613 20 0 DFADMP COc1ccc2c(c1OC)CC[N@@H+](CCCn1cc[nH+]c1C)C2 ZINC000336873562 427769643 /nfs/dbraw/zinc/76/96/43/427769643.db2.gz UHJXDLXDABXEBE-UHFFFAOYSA-N 2 1 315.417 2.657 20 0 DFADMP COc1ccc2c(c1OC)CC[N@H+](CCCn1cc[nH+]c1C)C2 ZINC000336873562 427769645 /nfs/dbraw/zinc/76/96/45/427769645.db2.gz UHJXDLXDABXEBE-UHFFFAOYSA-N 2 1 315.417 2.657 20 0 DFADMP OC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000336876929 427771030 /nfs/dbraw/zinc/77/10/30/427771030.db2.gz WJFLFFZRAIOTRC-AZUAARDMSA-N 2 1 316.489 2.834 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](CC)[NH+](C)Cc1ccccc1 ZINC000339418247 427771248 /nfs/dbraw/zinc/77/12/48/427771248.db2.gz BNTRPGLJHYDFSC-WMZOPIPTSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H](CC)[N@H+](C)Cc1ccccc1 ZINC000339418247 427771249 /nfs/dbraw/zinc/77/12/49/427771249.db2.gz BNTRPGLJHYDFSC-WMZOPIPTSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@H](C)[NH+](C)CCNC(=O)[C@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000339418247 427771251 /nfs/dbraw/zinc/77/12/51/427771251.db2.gz BNTRPGLJHYDFSC-WMZOPIPTSA-N 2 1 319.493 2.744 20 0 DFADMP COc1ccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000301094219 427774812 /nfs/dbraw/zinc/77/48/12/427774812.db2.gz UYQMXNAJRUDORZ-MRXNPFEDSA-N 2 1 300.406 2.817 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000194048710 427728645 /nfs/dbraw/zinc/72/86/45/427728645.db2.gz FJWMAJDVWRUWCU-SCTDSRPQSA-N 2 1 322.493 2.890 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC(C)(C)C1CC1 ZINC000339655954 427807925 /nfs/dbraw/zinc/80/79/25/427807925.db2.gz XWMFBANZZSHCSL-KRWDZBQOSA-N 2 1 323.525 2.687 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000339682089 427811404 /nfs/dbraw/zinc/81/14/04/427811404.db2.gz OKWHOVGNXRPDRH-DZKIICNBSA-N 2 1 324.490 2.614 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000339682089 427811406 /nfs/dbraw/zinc/81/14/06/427811406.db2.gz OKWHOVGNXRPDRH-DZKIICNBSA-N 2 1 324.490 2.614 20 0 DFADMP CCOc1ccc(OCC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337194144 427813105 /nfs/dbraw/zinc/81/31/05/427813105.db2.gz ABBRXQUBDDLICD-UHFFFAOYSA-N 2 1 306.450 2.882 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337194144 427813107 /nfs/dbraw/zinc/81/31/07/427813107.db2.gz ABBRXQUBDDLICD-UHFFFAOYSA-N 2 1 306.450 2.882 20 0 DFADMP CCN1CC[NH+]([C@H](C)CNc2cc[nH+]c3c(C)cccc23)CC1 ZINC000301681662 427815193 /nfs/dbraw/zinc/81/51/93/427815193.db2.gz SFLMIGUWZLGFJY-MRXNPFEDSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@H]([NH2+]C[C@@](C)(O)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337206775 427815496 /nfs/dbraw/zinc/81/54/96/427815496.db2.gz NEKIEEVUHGPHOK-OUCADQQQSA-N 2 1 308.388 2.542 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337279239 427829895 /nfs/dbraw/zinc/82/98/95/427829895.db2.gz TZZGVBFVCCBRDC-UHFFFAOYSA-N 2 1 321.440 2.880 20 0 DFADMP CCOc1ccccc1OCC[N@H+](C)CCC[NH+]1CCCC1 ZINC000337281687 427831271 /nfs/dbraw/zinc/83/12/71/427831271.db2.gz WNRKQAYTXQQTKW-UHFFFAOYSA-N 2 1 306.450 2.882 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281687 427831273 /nfs/dbraw/zinc/83/12/73/427831273.db2.gz WNRKQAYTXQQTKW-UHFFFAOYSA-N 2 1 306.450 2.882 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000340378784 427834062 /nfs/dbraw/zinc/83/40/62/427834062.db2.gz UNURJSYKFAJLRU-FCGDIQPGSA-N 2 1 318.461 2.606 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@H]1CCCO1 ZINC000340378784 427834068 /nfs/dbraw/zinc/83/40/68/427834068.db2.gz UNURJSYKFAJLRU-FCGDIQPGSA-N 2 1 318.461 2.606 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@@H](c1ccccc1)[NH+](CC)CC ZINC000355622040 427834191 /nfs/dbraw/zinc/83/41/91/427834191.db2.gz ACZYJJPAONZROD-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](C/C=C/c2ccccc2)CC1 ZINC000355657079 427838605 /nfs/dbraw/zinc/83/86/05/427838605.db2.gz OQJXGQRVVSLQAL-VMPITWQZSA-N 2 1 309.413 2.926 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1C ZINC000359408047 427839947 /nfs/dbraw/zinc/83/99/47/427839947.db2.gz JWPSYFHWKNUAHZ-BPKGMFCQSA-N 2 1 308.466 2.571 20 0 DFADMP CC[C@@H]1C[C@@H](C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000355675762 427843592 /nfs/dbraw/zinc/84/35/92/427843592.db2.gz WANNRHCLHMVYMG-XWTMOSNGSA-N 2 1 312.498 2.671 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)CCn1ccnc1C(C)C ZINC000337342734 427854776 /nfs/dbraw/zinc/85/47/76/427854776.db2.gz ROAYIWVXVGQXJX-INIZCTEOSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000337342734 427854782 /nfs/dbraw/zinc/85/47/82/427854782.db2.gz ROAYIWVXVGQXJX-INIZCTEOSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)CCn1cc[nH+]c1C(C)C ZINC000337342734 427854789 /nfs/dbraw/zinc/85/47/89/427854789.db2.gz ROAYIWVXVGQXJX-INIZCTEOSA-N 2 1 320.481 2.633 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC(C)C ZINC000359479107 427869959 /nfs/dbraw/zinc/86/99/59/427869959.db2.gz XTWMZMGBDBAFRX-CALCHBBNSA-N 2 1 318.461 2.771 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OCC(C)C ZINC000359479107 427869963 /nfs/dbraw/zinc/86/99/63/427869963.db2.gz XTWMZMGBDBAFRX-CALCHBBNSA-N 2 1 318.461 2.771 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000337381383 427877544 /nfs/dbraw/zinc/87/75/44/427877544.db2.gz JJAUFTVHQRSBID-CQSZACIVSA-N 2 1 306.450 2.627 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339958190 427885346 /nfs/dbraw/zinc/88/53/46/427885346.db2.gz XSUKEOVGCGSANZ-INIZCTEOSA-N 2 1 314.433 2.575 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)c1c(F)cccc1F ZINC000359524295 427890243 /nfs/dbraw/zinc/89/02/43/427890243.db2.gz WYXACTQJYLROCV-HNNXBMFYSA-N 2 1 309.360 2.573 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337410420 427892261 /nfs/dbraw/zinc/89/22/61/427892261.db2.gz VPVRMUODAHPYOT-HNNXBMFYSA-N 2 1 308.470 2.617 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cnn(C2CCCC2)c1 ZINC000337410420 427892267 /nfs/dbraw/zinc/89/22/67/427892267.db2.gz VPVRMUODAHPYOT-HNNXBMFYSA-N 2 1 308.470 2.617 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000339984471 427895588 /nfs/dbraw/zinc/89/55/88/427895588.db2.gz YLXTYUGLWKITEF-KRWDZBQOSA-N 2 1 319.493 2.733 20 0 DFADMP CC[N@@H+](CC(=O)NC(C)(C)CC[NH+]1CCCCCC1)C1CC1 ZINC000359539733 427899086 /nfs/dbraw/zinc/89/90/86/427899086.db2.gz GEIDDZBGJRSBSH-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000345775765 427900642 /nfs/dbraw/zinc/90/06/42/427900642.db2.gz JENALPSPENXELU-XDNAFOTISA-N 2 1 323.525 2.734 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000359552637 427906067 /nfs/dbraw/zinc/90/60/67/427906067.db2.gz NWEKVRZABXKYLZ-ZBFHGGJFSA-N 2 1 300.450 2.665 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@H]1C ZINC000359552635 427907000 /nfs/dbraw/zinc/90/70/00/427907000.db2.gz NWEKVRZABXKYLZ-GDBMZVCRSA-N 2 1 300.450 2.665 20 0 DFADMP COc1ccc(OCC[N@@H+](CCC[NH3+])Cc2ccccc2)cc1 ZINC000303988205 427910416 /nfs/dbraw/zinc/91/04/16/427910416.db2.gz NDDZBIJZUITZRY-UHFFFAOYSA-N 2 1 314.429 2.925 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N(C)CC[N@@H+](C)C1CC1 ZINC000359576107 427916447 /nfs/dbraw/zinc/91/64/47/427916447.db2.gz LCTFGNCYTXDEKX-UHFFFAOYSA-N 2 1 303.381 2.913 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000345825066 427920360 /nfs/dbraw/zinc/92/03/60/427920360.db2.gz VRWJCJBPTLIVLE-NUJGCVRESA-N 2 1 309.498 2.665 20 0 DFADMP CC[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[NH+]1CCc2ccccc2C1 ZINC000359660995 427959758 /nfs/dbraw/zinc/95/97/58/427959758.db2.gz DXIXTGYZANKKGE-PWIZWCRZSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](CN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@@H+]1CCc2ccccc2C1 ZINC000359660995 427959765 /nfs/dbraw/zinc/95/97/65/427959765.db2.gz DXIXTGYZANKKGE-PWIZWCRZSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](CN[C@@H]1CC[NH+](C)[C@@H](C)C1)[N@H+]1CCc2ccccc2C1 ZINC000359660995 427959767 /nfs/dbraw/zinc/95/97/67/427959767.db2.gz DXIXTGYZANKKGE-PWIZWCRZSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000359660995 427959771 /nfs/dbraw/zinc/95/97/71/427959771.db2.gz DXIXTGYZANKKGE-PWIZWCRZSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)N1CCc2ccccc2C1 ZINC000359660995 427959776 /nfs/dbraw/zinc/95/97/76/427959776.db2.gz DXIXTGYZANKKGE-PWIZWCRZSA-N 2 1 315.505 2.896 20 0 DFADMP CC[C@H](C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2)[NH+](CC)CC ZINC000345949366 427962086 /nfs/dbraw/zinc/96/20/86/427962086.db2.gz FLNBBVXUZSINBQ-CYBMUJFWSA-N 2 1 324.494 2.580 20 0 DFADMP CC[C@H](C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2)[NH+](CC)CC ZINC000345949366 427962088 /nfs/dbraw/zinc/96/20/88/427962088.db2.gz FLNBBVXUZSINBQ-CYBMUJFWSA-N 2 1 324.494 2.580 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)[C@H]1Oc1ccccc1 ZINC000359665231 427963130 /nfs/dbraw/zinc/96/31/30/427963130.db2.gz SBBSLMKOZMEBGW-IPMKNSEASA-N 2 1 320.477 2.931 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@H]1Oc1ccccc1 ZINC000359665231 427963134 /nfs/dbraw/zinc/96/31/34/427963134.db2.gz SBBSLMKOZMEBGW-IPMKNSEASA-N 2 1 320.477 2.931 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C(C)C)[C@@H]1Oc1ccccc1 ZINC000359665233 427963146 /nfs/dbraw/zinc/96/31/46/427963146.db2.gz SBBSLMKOZMEBGW-OTWHNJEPSA-N 2 1 320.477 2.931 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1Oc1ccccc1 ZINC000359665233 427963151 /nfs/dbraw/zinc/96/31/51/427963151.db2.gz SBBSLMKOZMEBGW-OTWHNJEPSA-N 2 1 320.477 2.931 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000337599527 427976213 /nfs/dbraw/zinc/97/62/13/427976213.db2.gz MYYAOARHSQXFEJ-DJIMGWMZSA-N 2 1 316.445 2.953 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCc3cscn3)CC2)C[C@H](C)O1 ZINC000340282484 427976594 /nfs/dbraw/zinc/97/65/94/427976594.db2.gz KSHWZABRERUOIJ-GASCZTMLSA-N 2 1 323.506 2.507 20 0 DFADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340335205 427988898 /nfs/dbraw/zinc/98/88/98/427988898.db2.gz VGWJCPMOUZSAAO-DLBZAZTESA-N 2 1 317.477 2.574 20 0 DFADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340335205 427988904 /nfs/dbraw/zinc/98/89/04/427988904.db2.gz VGWJCPMOUZSAAO-DLBZAZTESA-N 2 1 317.477 2.574 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000350064363 427930677 /nfs/dbraw/zinc/93/06/77/427930677.db2.gz HAHNXVTZEDXFNB-OAHLLOKOSA-N 2 1 309.498 2.676 20 0 DFADMP C[C@H](CCNC(=O)C[C@H]1CCC[C@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000340116835 427931435 /nfs/dbraw/zinc/93/14/35/427931435.db2.gz BJLANVUHOIHWKB-KBAYOESNSA-N 2 1 317.477 2.531 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000355915535 427945103 /nfs/dbraw/zinc/94/51/03/427945103.db2.gz HWXZKPTYNZWUNY-BQFCYCMXSA-N 2 1 323.525 2.922 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000355915538 427946132 /nfs/dbraw/zinc/94/61/32/427946132.db2.gz HWXZKPTYNZWUNY-NUJGCVRESA-N 2 1 323.525 2.922 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914160 427951679 /nfs/dbraw/zinc/95/16/79/427951679.db2.gz LVBQHLAJPDFFTL-JKSUJKDBSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914160 427951685 /nfs/dbraw/zinc/95/16/85/427951685.db2.gz LVBQHLAJPDFFTL-JKSUJKDBSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914160 427951687 /nfs/dbraw/zinc/95/16/87/427951687.db2.gz LVBQHLAJPDFFTL-JKSUJKDBSA-N 2 1 317.481 2.667 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376971944 428035323 /nfs/dbraw/zinc/03/53/23/428035323.db2.gz OIOQWRRAZCLXHF-OAHLLOKOSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376971944 428035327 /nfs/dbraw/zinc/03/53/27/428035327.db2.gz OIOQWRRAZCLXHF-OAHLLOKOSA-N 2 1 321.428 2.829 20 0 DFADMP CCCCC[N@@H+](CCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346144283 428035495 /nfs/dbraw/zinc/03/54/95/428035495.db2.gz FDXGNYTYBRWBED-UHFFFAOYSA-N 2 1 302.422 2.560 20 0 DFADMP CC(C)C[N@@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000341371199 428049871 /nfs/dbraw/zinc/04/98/71/428049871.db2.gz SEAQMNTUYSFXJX-INIZCTEOSA-N 2 1 317.468 2.816 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000341371199 428049874 /nfs/dbraw/zinc/04/98/74/428049874.db2.gz SEAQMNTUYSFXJX-INIZCTEOSA-N 2 1 317.468 2.816 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@@H]3CCOC3)C1)C2 ZINC000341372569 428050351 /nfs/dbraw/zinc/05/03/51/428050351.db2.gz OEGQDVBTUFYHKP-QBPKDAKJSA-N 2 1 303.450 2.630 20 0 DFADMP CC[C@@H]1C[N@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@]2(CCCOC2)O1 ZINC000369551756 427998230 /nfs/dbraw/zinc/99/82/30/427998230.db2.gz PKLMMXOQMRUOFL-RCCFBDPRSA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@@]2(CCCOC2)O1 ZINC000369551756 427998238 /nfs/dbraw/zinc/99/82/38/427998238.db2.gz PKLMMXOQMRUOFL-RCCFBDPRSA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@@]2(CCCOC2)O1 ZINC000369551756 427998242 /nfs/dbraw/zinc/99/82/42/427998242.db2.gz PKLMMXOQMRUOFL-RCCFBDPRSA-N 2 1 310.482 2.521 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@@]2(CCCOC2)O1 ZINC000369551756 427998250 /nfs/dbraw/zinc/99/82/50/427998250.db2.gz PKLMMXOQMRUOFL-RCCFBDPRSA-N 2 1 310.482 2.521 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)Cc1ccn(C(C)C)n1 ZINC000341189037 428007798 /nfs/dbraw/zinc/00/77/98/428007798.db2.gz NMRPYYVEPAYGAS-LSDHHAIUSA-N 2 1 303.454 2.826 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC000359776131 428015436 /nfs/dbraw/zinc/01/54/36/428015436.db2.gz VQADGZMMRFRDSX-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000359776131 428015438 /nfs/dbraw/zinc/01/54/38/428015438.db2.gz VQADGZMMRFRDSX-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000359776131 428015441 /nfs/dbraw/zinc/01/54/41/428015441.db2.gz VQADGZMMRFRDSX-AEFFLSMTSA-N 2 1 319.493 2.916 20 0 DFADMP C[N@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H](CN)C1CC1 ZINC000359904009 428070696 /nfs/dbraw/zinc/07/06/96/428070696.db2.gz STYWPNVMNXUOOS-CQSZACIVSA-N 2 1 302.340 2.753 20 0 DFADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)[C@H](CN)C1CC1 ZINC000359904009 428070699 /nfs/dbraw/zinc/07/06/99/428070699.db2.gz STYWPNVMNXUOOS-CQSZACIVSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H](NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCC2 ZINC000377168146 428074308 /nfs/dbraw/zinc/07/43/08/428074308.db2.gz IVUUMNZMEQLXAA-KYNGSXCRSA-N 2 1 300.446 2.689 20 0 DFADMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc2c(c1)CCC2 ZINC000377168146 428074313 /nfs/dbraw/zinc/07/43/13/428074313.db2.gz IVUUMNZMEQLXAA-KYNGSXCRSA-N 2 1 300.446 2.689 20 0 DFADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346213124 428074456 /nfs/dbraw/zinc/07/44/56/428074456.db2.gz JADOCCWFCPCIPQ-IRXDYDNUSA-N 2 1 311.514 2.543 20 0 DFADMP C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000346225526 428078594 /nfs/dbraw/zinc/07/85/94/428078594.db2.gz ULWIUZAVDIQZEE-IRXDYDNUSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[NH+]1CCCCCC1 ZINC000346225516 428079481 /nfs/dbraw/zinc/07/94/81/428079481.db2.gz ULWIUZAVDIQZEE-DLBZAZTESA-N 2 1 309.498 2.584 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000351582118 428102439 /nfs/dbraw/zinc/10/24/39/428102439.db2.gz PMQOMOJHHMYQBG-CEXWTWQISA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1c1ccccc1)C1CC1 ZINC000351582118 428102443 /nfs/dbraw/zinc/10/24/43/428102443.db2.gz PMQOMOJHHMYQBG-CEXWTWQISA-N 2 1 302.462 2.758 20 0 DFADMP CC(C)(O)CC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377316227 428103748 /nfs/dbraw/zinc/10/37/48/428103748.db2.gz LKAZBABXRVOXOZ-MSOLQXFVSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)(O)CC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377316227 428103753 /nfs/dbraw/zinc/10/37/53/428103753.db2.gz LKAZBABXRVOXOZ-MSOLQXFVSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)(O)CC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000377316227 428103759 /nfs/dbraw/zinc/10/37/59/428103759.db2.gz LKAZBABXRVOXOZ-MSOLQXFVSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000370008145 428107964 /nfs/dbraw/zinc/10/79/64/428107964.db2.gz HCSONFSJIAOXLG-WMZOPIPTSA-N 2 1 315.461 2.604 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000370008144 428108526 /nfs/dbraw/zinc/10/85/26/428108526.db2.gz HCSONFSJIAOXLG-SJLPKXTDSA-N 2 1 315.461 2.604 20 0 DFADMP CCCCOC(=O)CN1CCC[C@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370016052 428110139 /nfs/dbraw/zinc/11/01/39/428110139.db2.gz AALPWSWNAXQLPD-HNNXBMFYSA-N 2 1 319.449 2.742 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351863735 428113838 /nfs/dbraw/zinc/11/38/38/428113838.db2.gz UUFJXQFQOALFJM-LAQRGFTBSA-N 2 1 317.477 2.702 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351863735 428113842 /nfs/dbraw/zinc/11/38/42/428113842.db2.gz UUFJXQFQOALFJM-LAQRGFTBSA-N 2 1 317.477 2.702 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351859768 428113982 /nfs/dbraw/zinc/11/39/82/428113982.db2.gz DRIUIUGFVVQWFK-SZMVWBNQSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1)c1ccccc1 ZINC000351859768 428113988 /nfs/dbraw/zinc/11/39/88/428113988.db2.gz DRIUIUGFVVQWFK-SZMVWBNQSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@](O)(C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000341580890 428115510 /nfs/dbraw/zinc/11/55/10/428115510.db2.gz ARLCCBDHJREVKY-LJQANCHMSA-N 2 1 320.452 2.583 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000360013749 428116394 /nfs/dbraw/zinc/11/63/94/428116394.db2.gz HKICBKVLDBSPBK-HIFRSBDPSA-N 2 1 301.365 2.841 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351865853 428117118 /nfs/dbraw/zinc/11/71/18/428117118.db2.gz PFZLGROMTFZILB-LZWOXQAQSA-N 2 1 311.429 2.836 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351865853 428117120 /nfs/dbraw/zinc/11/71/20/428117120.db2.gz PFZLGROMTFZILB-LZWOXQAQSA-N 2 1 311.429 2.836 20 0 DFADMP CC[C@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[NH+](C)C ZINC000413717076 428117659 /nfs/dbraw/zinc/11/76/59/428117659.db2.gz VLBCSKFDAWYRAB-QZTJIDSGSA-N 2 1 319.493 2.599 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000360013748 428118544 /nfs/dbraw/zinc/11/85/44/428118544.db2.gz HKICBKVLDBSPBK-DZGCQCFKSA-N 2 1 301.365 2.841 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000360019706 428119315 /nfs/dbraw/zinc/11/93/15/428119315.db2.gz SHRQXBQAJZIIQF-OLZOCXBDSA-N 2 1 301.390 2.566 20 0 DFADMP CCc1nc2c(s1)[C@@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000360021771 428120810 /nfs/dbraw/zinc/12/08/10/428120810.db2.gz WOYYOTBKQYYCIS-NEPJUHHUSA-N 2 1 302.447 2.884 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H](C)C(C)C)CC1 ZINC000360025017 428122686 /nfs/dbraw/zinc/12/26/86/428122686.db2.gz QTKFHHYRWBIOIP-KRWDZBQOSA-N 2 1 303.494 2.958 20 0 DFADMP CCCC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000360026344 428123545 /nfs/dbraw/zinc/12/35/45/428123545.db2.gz YFZGNUNFOZFGOZ-PBHICJAKSA-N 2 1 303.450 2.855 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+][C@@H](C)C(C)C)cc2)CC1 ZINC000360028535 428126049 /nfs/dbraw/zinc/12/60/49/428126049.db2.gz FZVMZULVHDNPAX-KRWDZBQOSA-N 2 1 303.494 2.958 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377411916 428126196 /nfs/dbraw/zinc/12/61/96/428126196.db2.gz JYQSWJZQGYLZTB-OAHLLOKOSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377411916 428126204 /nfs/dbraw/zinc/12/62/04/428126204.db2.gz JYQSWJZQGYLZTB-OAHLLOKOSA-N 2 1 321.428 2.829 20 0 DFADMP C[N@H+]1CC[C@H](NCc2cc(COC(C)(C)C)on2)[C@H]2CCC[C@@H]21 ZINC000377128793 428064281 /nfs/dbraw/zinc/06/42/81/428064281.db2.gz PHYHLWAHXSQVBL-IKGGRYGDSA-N 2 1 321.465 2.952 20 0 DFADMP O[C@H](CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000377124099 428064654 /nfs/dbraw/zinc/06/46/54/428064654.db2.gz CPIRAXIEBIKVCG-AKHDSKFASA-N 2 1 300.446 2.526 20 0 DFADMP O[C@H](CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000377124099 428064660 /nfs/dbraw/zinc/06/46/60/428064660.db2.gz CPIRAXIEBIKVCG-AKHDSKFASA-N 2 1 300.446 2.526 20 0 DFADMP [NH3+]CCC[N@H+](Cc1cnn(CC(F)(F)F)c1)CC1CCCC1 ZINC000352535911 428140254 /nfs/dbraw/zinc/14/02/54/428140254.db2.gz XDAHTVUWPALIGO-UHFFFAOYSA-N 2 1 318.387 2.786 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352540251 428141877 /nfs/dbraw/zinc/14/18/77/428141877.db2.gz ISQUNXRPQPRUSD-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352540251 428141879 /nfs/dbraw/zinc/14/18/79/428141879.db2.gz ISQUNXRPQPRUSD-GOSISDBHSA-N 2 1 304.434 2.669 20 0 DFADMP COc1cc2c(cc1C[N@@H+](CCC[NH3+])CC1CCCC1)OCO2 ZINC000352539466 428141961 /nfs/dbraw/zinc/14/19/61/428141961.db2.gz AZTXQKYSILZTEH-UHFFFAOYSA-N 2 1 320.433 2.765 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)cn1 ZINC000352544479 428145693 /nfs/dbraw/zinc/14/56/93/428145693.db2.gz AZSKTKJODMROBJ-QGZVFWFLSA-N 2 1 316.474 2.724 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)s2)cn1 ZINC000352544479 428145699 /nfs/dbraw/zinc/14/56/99/428145699.db2.gz AZSKTKJODMROBJ-QGZVFWFLSA-N 2 1 316.474 2.724 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000352546332 428145750 /nfs/dbraw/zinc/14/57/50/428145750.db2.gz TVDBRYMDLBHAHE-SFHVURJKSA-N 2 1 316.424 2.774 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000352546332 428145757 /nfs/dbraw/zinc/14/57/57/428145757.db2.gz TVDBRYMDLBHAHE-SFHVURJKSA-N 2 1 316.424 2.774 20 0 DFADMP CN(C(=O)C1=CCC1)[C@H]1CCCC[C@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000341610865 428129002 /nfs/dbraw/zinc/12/90/02/428129002.db2.gz LOUPFAJMUPHENN-MSOLQXFVSA-N 2 1 319.493 2.502 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC(C)(C)O ZINC000370168564 428150138 /nfs/dbraw/zinc/15/01/38/428150138.db2.gz FQKZKSWBWIUOMM-SJLPKXTDSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH+](C)CCC(C)(C)O ZINC000370168564 428150142 /nfs/dbraw/zinc/15/01/42/428150142.db2.gz FQKZKSWBWIUOMM-SJLPKXTDSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@H+](C)CCC(C)(C)O ZINC000370168564 428150147 /nfs/dbraw/zinc/15/01/47/428150147.db2.gz FQKZKSWBWIUOMM-SJLPKXTDSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1[N@@H+](C)CCC(C)(C)O ZINC000370168564 428150149 /nfs/dbraw/zinc/15/01/49/428150149.db2.gz FQKZKSWBWIUOMM-SJLPKXTDSA-N 2 1 304.478 2.990 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cccs3)C2)nc(C)[nH+]1 ZINC000360095631 428158581 /nfs/dbraw/zinc/15/85/81/428158581.db2.gz MWDSUZPQOQUFKC-AWEZNQCLSA-N 2 1 302.447 2.914 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2nc3cccnc3s2)[C@@H](C)C1 ZINC000341680774 428153953 /nfs/dbraw/zinc/15/39/53/428153953.db2.gz UWSDCEWKESKPTB-GXTWGEPZSA-N 2 1 304.463 2.853 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@H]2CCCO2)cc1F ZINC000346434715 428169375 /nfs/dbraw/zinc/16/93/75/428169375.db2.gz BQTOPCQZGRTXII-YVEFUNNKSA-N 2 1 303.381 2.977 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)cc1F ZINC000346434712 428170519 /nfs/dbraw/zinc/17/05/19/428170519.db2.gz BQTOPCQZGRTXII-SJCJKPOMSA-N 2 1 303.381 2.977 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c(C)c1 ZINC000377617614 428172330 /nfs/dbraw/zinc/17/23/30/428172330.db2.gz AOZVEGFABPNHMX-LJQANCHMSA-N 2 1 315.505 2.763 20 0 DFADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377632209 428179568 /nfs/dbraw/zinc/17/95/68/428179568.db2.gz VTWIMABSSZYQPQ-PBWFPOADSA-N 2 1 300.406 2.727 20 0 DFADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000377632209 428179569 /nfs/dbraw/zinc/17/95/69/428179569.db2.gz VTWIMABSSZYQPQ-PBWFPOADSA-N 2 1 300.406 2.727 20 0 DFADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377632209 428179576 /nfs/dbraw/zinc/17/95/76/428179576.db2.gz VTWIMABSSZYQPQ-PBWFPOADSA-N 2 1 300.406 2.727 20 0 DFADMP C[NH+](Cc1ccc(-c2cc[nH]n2)o1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000377632209 428179580 /nfs/dbraw/zinc/17/95/80/428179580.db2.gz VTWIMABSSZYQPQ-PBWFPOADSA-N 2 1 300.406 2.727 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCCc2c[nH]c3ccccc23)CC1 ZINC000360148253 428181079 /nfs/dbraw/zinc/18/10/79/428181079.db2.gz DTESKSQTYMLMGS-UHFFFAOYSA-N 2 1 315.461 2.801 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000377733106 428210695 /nfs/dbraw/zinc/21/06/95/428210695.db2.gz SKSUBKSCWHOJFX-HNNXBMFYSA-N 2 1 307.829 2.769 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](n2cc(Cl)cn2)C1 ZINC000377733106 428210699 /nfs/dbraw/zinc/21/06/99/428210699.db2.gz SKSUBKSCWHOJFX-HNNXBMFYSA-N 2 1 307.829 2.769 20 0 DFADMP Cc1nn(C)cc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356516098 428211709 /nfs/dbraw/zinc/21/17/09/428211709.db2.gz BBAMSVPBSYRSLL-UYAOXDASSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356516098 428211712 /nfs/dbraw/zinc/21/17/12/428211712.db2.gz BBAMSVPBSYRSLL-UYAOXDASSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356516098 428211720 /nfs/dbraw/zinc/21/17/20/428211720.db2.gz BBAMSVPBSYRSLL-UYAOXDASSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000356516098 428211724 /nfs/dbraw/zinc/21/17/24/428211724.db2.gz BBAMSVPBSYRSLL-UYAOXDASSA-N 2 1 324.472 2.682 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000360225886 428212498 /nfs/dbraw/zinc/21/24/98/428212498.db2.gz SPSDYGBLGATUMI-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000360225886 428212506 /nfs/dbraw/zinc/21/25/06/428212506.db2.gz SPSDYGBLGATUMI-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@](C)(O)C2CCCCC2)s1 ZINC000352708118 428214694 /nfs/dbraw/zinc/21/46/94/428214694.db2.gz VLVSOUZLAJBNPQ-MRXNPFEDSA-N 2 1 311.495 2.626 20 0 DFADMP CC[N@@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000360232652 428215682 /nfs/dbraw/zinc/21/56/82/428215682.db2.gz BXMSXPOHEVPMLR-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000360232652 428215690 /nfs/dbraw/zinc/21/56/90/428215690.db2.gz BXMSXPOHEVPMLR-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000360232652 428215695 /nfs/dbraw/zinc/21/56/95/428215695.db2.gz BXMSXPOHEVPMLR-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000360232652 428215701 /nfs/dbraw/zinc/21/57/01/428215701.db2.gz BXMSXPOHEVPMLR-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360237274 428217910 /nfs/dbraw/zinc/21/79/10/428217910.db2.gz GLNMVJYJSQWJAE-ZTFGCOKTSA-N 2 1 308.441 2.846 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360237274 428217917 /nfs/dbraw/zinc/21/79/17/428217917.db2.gz GLNMVJYJSQWJAE-ZTFGCOKTSA-N 2 1 308.441 2.846 20 0 DFADMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)n1 ZINC000377758245 428219304 /nfs/dbraw/zinc/21/93/04/428219304.db2.gz BYOHNZNJLSIGQU-QFBILLFUSA-N 2 1 311.429 2.878 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488018 428221143 /nfs/dbraw/zinc/22/11/43/428221143.db2.gz KFMAWNJSOSNOCN-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488018 428221148 /nfs/dbraw/zinc/22/11/48/428221148.db2.gz KFMAWNJSOSNOCN-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCCCC2)C1 ZINC000370488018 428221155 /nfs/dbraw/zinc/22/11/55/428221155.db2.gz KFMAWNJSOSNOCN-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1nnc([C@@H]2CC23CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC3)o1 ZINC000370496217 428221550 /nfs/dbraw/zinc/22/15/50/428221550.db2.gz LSECVOZCYAMNBU-CVEARBPZSA-N 2 1 318.465 2.822 20 0 DFADMP Cc1nnc([C@@H]2CC23CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC3)o1 ZINC000370496217 428221552 /nfs/dbraw/zinc/22/15/52/428221552.db2.gz LSECVOZCYAMNBU-CVEARBPZSA-N 2 1 318.465 2.822 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccncc2)[C@@H](C)C1 ZINC000346570907 428222561 /nfs/dbraw/zinc/22/25/61/428222561.db2.gz QAMOMHHTUDFMEK-PKOBYXMFSA-N 2 1 319.493 2.741 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCCc2ccncc2)[C@H](C)C1 ZINC000346570905 428223232 /nfs/dbraw/zinc/22/32/32/428223232.db2.gz QAMOMHHTUDFMEK-MJGOQNOKSA-N 2 1 319.493 2.741 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000414168613 428223261 /nfs/dbraw/zinc/22/32/61/428223261.db2.gz AODBIGINGVXNLG-CVEARBPZSA-N 2 1 313.449 2.650 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH2+][C@H]2C(C)C)CC1 ZINC000377763271 428223660 /nfs/dbraw/zinc/22/36/60/428223660.db2.gz VMEPTZNSTAILQH-MSOLQXFVSA-N 2 1 323.525 2.591 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)o1 ZINC000414171905 428224668 /nfs/dbraw/zinc/22/46/68/428224668.db2.gz DJXZHFRBZYZMDW-CYBMUJFWSA-N 2 1 303.406 2.774 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000414184684 428227648 /nfs/dbraw/zinc/22/76/48/428227648.db2.gz OCSCKBCIGRYGEN-STQMWFEESA-N 2 1 310.463 2.917 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nc2ccccc2n1C ZINC000414184822 428228051 /nfs/dbraw/zinc/22/80/51/428228051.db2.gz OJMRJWOCEYEBQC-HUUCEWRRSA-N 2 1 300.450 2.956 20 0 DFADMP CC(C)(C)SCC[N@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000370508547 428228254 /nfs/dbraw/zinc/22/82/54/428228254.db2.gz PIGVOLUKGPGOHH-HNNXBMFYSA-N 2 1 300.512 2.562 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203568 428232750 /nfs/dbraw/zinc/23/27/50/428232750.db2.gz ZMAHWBZBQSELPU-XJKSGUPXSA-N 2 1 319.424 2.921 20 0 DFADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352756733 428233500 /nfs/dbraw/zinc/23/35/00/428233500.db2.gz CSDKMDXBSGKRQL-UONOGXRCSA-N 2 1 311.495 2.888 20 0 DFADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@H]1COc2ccccc21 ZINC000352759230 428234054 /nfs/dbraw/zinc/23/40/54/428234054.db2.gz JLVSCHIXFGJUBU-SWLSCSKDSA-N 2 1 317.458 2.859 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000352756925 428234745 /nfs/dbraw/zinc/23/47/45/428234745.db2.gz SLEIGBHXWQNTHG-KZSQQDEKSA-N 2 1 324.415 2.660 20 0 DFADMP C[C@@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)NCc1ncc(C[NH+](C)C)s1 ZINC000352766325 428237708 /nfs/dbraw/zinc/23/77/08/428237708.db2.gz WDDXBZXWDSBJCJ-ZNMIVQPWSA-N 2 1 324.538 2.661 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NCc1ncc(C[NH+](C)C)s1 ZINC000352766325 428237714 /nfs/dbraw/zinc/23/77/14/428237714.db2.gz WDDXBZXWDSBJCJ-ZNMIVQPWSA-N 2 1 324.538 2.661 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770616 428240322 /nfs/dbraw/zinc/24/03/22/428240322.db2.gz NEUZNUPYPRCJBV-KBAYOESNSA-N 2 1 322.880 2.832 20 0 DFADMP COc1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(OC)c1 ZINC000360177582 428192970 /nfs/dbraw/zinc/19/29/70/428192970.db2.gz NTWDYSAPQTUTKA-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770616 428240327 /nfs/dbraw/zinc/24/03/27/428240327.db2.gz NEUZNUPYPRCJBV-KBAYOESNSA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@@H](c2ccc(Cl)cc2)C1 ZINC000352770616 428240332 /nfs/dbraw/zinc/24/03/32/428240332.db2.gz NEUZNUPYPRCJBV-KBAYOESNSA-N 2 1 322.880 2.832 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)cs1 ZINC000377688937 428196372 /nfs/dbraw/zinc/19/63/72/428196372.db2.gz XAQKMNBBXWRJIQ-CHWSQXEVSA-N 2 1 320.462 2.741 20 0 DFADMP CO[C@H](C)c1nc(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)cs1 ZINC000377688937 428196380 /nfs/dbraw/zinc/19/63/80/428196380.db2.gz XAQKMNBBXWRJIQ-CHWSQXEVSA-N 2 1 320.462 2.741 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H](C)C1)c1cc2n(n1)CCC2 ZINC000414072376 428199283 /nfs/dbraw/zinc/19/92/83/428199283.db2.gz MLMYPZKLBSNNSW-HOTGVXAUSA-N 2 1 304.482 2.992 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC[C@@H]3CCCO3)C1)CCCC2 ZINC000346519443 428204108 /nfs/dbraw/zinc/20/41/08/428204108.db2.gz AQUOVBOQMYMSGM-HOTGVXAUSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC[C@@H]3CCCO3)C1)CCCC2 ZINC000346519443 428204113 /nfs/dbraw/zinc/20/41/13/428204113.db2.gz AQUOVBOQMYMSGM-HOTGVXAUSA-N 2 1 303.450 2.886 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000370651697 428265610 /nfs/dbraw/zinc/26/56/10/428265610.db2.gz BXDSEHVVEJKDRM-UHOSZYNNSA-N 2 1 302.462 2.913 20 0 DFADMP CCC(CC)(CC)C[N@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000346684453 428273776 /nfs/dbraw/zinc/27/37/76/428273776.db2.gz PUXHTIQGJIYJHW-IRXDYDNUSA-N 2 1 323.525 2.783 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000370695410 428274852 /nfs/dbraw/zinc/27/48/52/428274852.db2.gz AFFIDKZXOIEKPC-ICSRJNTNSA-N 2 1 315.505 2.761 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346693216 428276502 /nfs/dbraw/zinc/27/65/02/428276502.db2.gz LNCOTCCAZSOYLW-DGCLKSJQSA-N 2 1 304.825 2.899 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c(C)c1 ZINC000370706674 428277951 /nfs/dbraw/zinc/27/79/51/428277951.db2.gz CCVVOHMTZNQXGA-QUCCMNQESA-N 2 1 315.505 2.761 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000342095272 428296068 /nfs/dbraw/zinc/29/60/68/428296068.db2.gz FSTLGKWJYLSFJM-HPZZRFSDSA-N 2 1 319.424 2.520 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1F ZINC000342095272 428296076 /nfs/dbraw/zinc/29/60/76/428296076.db2.gz FSTLGKWJYLSFJM-HPZZRFSDSA-N 2 1 319.424 2.520 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000352776572 428241988 /nfs/dbraw/zinc/24/19/88/428241988.db2.gz UBLGAFGBRDWSCJ-JKSUJKDBSA-N 2 1 318.465 2.531 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCc2[nH+]ccn21 ZINC000352776572 428241995 /nfs/dbraw/zinc/24/19/95/428241995.db2.gz UBLGAFGBRDWSCJ-JKSUJKDBSA-N 2 1 318.465 2.531 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCCC1 ZINC000346616866 428242519 /nfs/dbraw/zinc/24/25/19/428242519.db2.gz PHSJGUIAHVPVSN-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000346616866 428242527 /nfs/dbraw/zinc/24/25/27/428242527.db2.gz PHSJGUIAHVPVSN-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCN1CCCCC1 ZINC000346616866 428242531 /nfs/dbraw/zinc/24/25/31/428242531.db2.gz PHSJGUIAHVPVSN-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP CC(C)Cc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000352778448 428242681 /nfs/dbraw/zinc/24/26/81/428242681.db2.gz KYJKLITYDVTBSB-UHFFFAOYSA-N 2 1 317.521 2.954 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000346631833 428248721 /nfs/dbraw/zinc/24/87/21/428248721.db2.gz COOBTBUGLNGVNG-WMZOPIPTSA-N 2 1 303.494 2.814 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377863456 428250250 /nfs/dbraw/zinc/25/02/50/428250250.db2.gz GNLPZUZFTRPTID-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccccc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377863456 428250254 /nfs/dbraw/zinc/25/02/54/428250254.db2.gz GNLPZUZFTRPTID-OAHLLOKOSA-N 2 1 321.428 2.968 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC[N@@H+]1C ZINC000370616209 428254480 /nfs/dbraw/zinc/25/44/80/428254480.db2.gz PTEZDBITQVPIEJ-RHSMWYFYSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)CC[N@H+]1C ZINC000370616209 428254484 /nfs/dbraw/zinc/25/44/84/428254484.db2.gz PTEZDBITQVPIEJ-RHSMWYFYSA-N 2 1 305.441 2.867 20 0 DFADMP Cc1nn(-c2ccncc2)cc1CN1CCO[C@H](C2CCC2)C1 ZINC000414474408 428308772 /nfs/dbraw/zinc/30/87/72/428308772.db2.gz SFTSCCKTWZPASJ-SFHVURJKSA-N 2 1 312.417 2.577 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000370879056 428313489 /nfs/dbraw/zinc/31/34/89/428313489.db2.gz LAMKOGNFAKQSRG-ZHALLVOQSA-N 2 1 305.510 2.810 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000370879056 428313494 /nfs/dbraw/zinc/31/34/94/428313494.db2.gz LAMKOGNFAKQSRG-ZHALLVOQSA-N 2 1 305.510 2.810 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000370879056 428313498 /nfs/dbraw/zinc/31/34/98/428313498.db2.gz LAMKOGNFAKQSRG-ZHALLVOQSA-N 2 1 305.510 2.810 20 0 DFADMP COCC[C@@H](C)C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000414486292 428313610 /nfs/dbraw/zinc/31/36/10/428313610.db2.gz SYRMRRDHTZJQDO-CYBMUJFWSA-N 2 1 311.495 2.672 20 0 DFADMP COCC[C@@H](C)C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414486292 428313617 /nfs/dbraw/zinc/31/36/17/428313617.db2.gz SYRMRRDHTZJQDO-CYBMUJFWSA-N 2 1 311.495 2.672 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346824914 428331198 /nfs/dbraw/zinc/33/11/98/428331198.db2.gz CZBINFMAGZLQIT-JYJNAYRXSA-N 2 1 304.434 2.653 20 0 DFADMP COc1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000342172696 428332210 /nfs/dbraw/zinc/33/22/10/428332210.db2.gz STUCMDVWDIHULE-DOMZBBRYSA-N 2 1 304.434 2.727 20 0 DFADMP COc1ccc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000342172696 428332215 /nfs/dbraw/zinc/33/22/15/428332215.db2.gz STUCMDVWDIHULE-DOMZBBRYSA-N 2 1 304.434 2.727 20 0 DFADMP C[C@@H]1C[C@H](N(C)C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000346824934 428332351 /nfs/dbraw/zinc/33/23/51/428332351.db2.gz DCAYDZGUOJWYBK-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346824915 428332975 /nfs/dbraw/zinc/33/29/75/428332975.db2.gz CZBINFMAGZLQIT-XHSDSOJGSA-N 2 1 304.434 2.653 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)cnc21 ZINC000346829890 428335009 /nfs/dbraw/zinc/33/50/09/428335009.db2.gz OJQYUUCAKDFRKU-USXIJHARSA-N 2 1 313.449 2.571 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378209233 428336411 /nfs/dbraw/zinc/33/64/11/428336411.db2.gz JYQUECGBASSKBR-SOUVJXGZSA-N 2 1 306.454 2.543 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@@H]21 ZINC000346839749 428338929 /nfs/dbraw/zinc/33/89/29/428338929.db2.gz SVUSKJODPMJGPB-RYQLBKOJSA-N 2 1 324.428 2.828 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000356858321 428340061 /nfs/dbraw/zinc/34/00/61/428340061.db2.gz XMHBDMBYEDPJSB-GSEOLPGOSA-N 3 1 324.472 2.772 20 0 DFADMP CCOCc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346844745 428341625 /nfs/dbraw/zinc/34/16/25/428341625.db2.gz JWHIPOSZAJCDDH-CGTJXYLNSA-N 2 1 318.461 2.791 20 0 DFADMP C[C@H]1C[C@H](CNC(=[NH2+])Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000371017796 428341811 /nfs/dbraw/zinc/34/18/11/428341811.db2.gz UEZYUSHAJOLCKG-DOTOQJQBSA-N 2 1 323.444 2.928 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@@H]12 ZINC000346845126 428342209 /nfs/dbraw/zinc/34/22/09/428342209.db2.gz ZIFHWXLYNQEKDZ-NQBHXWOUSA-N 2 1 300.324 2.596 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccc(OC(F)F)c(F)c3)C[C@@H]12 ZINC000346845126 428342215 /nfs/dbraw/zinc/34/22/15/428342215.db2.gz ZIFHWXLYNQEKDZ-NQBHXWOUSA-N 2 1 300.324 2.596 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC(C)C ZINC000346852307 428345992 /nfs/dbraw/zinc/34/59/92/428345992.db2.gz KOKDFMDYBRKKOB-XHSDSOJGSA-N 2 1 304.434 2.652 20 0 DFADMP COc1cccc(C[N@H+](C[C@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346850585 428346253 /nfs/dbraw/zinc/34/62/53/428346253.db2.gz UQBSFXKWENTTFF-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346850585 428346259 /nfs/dbraw/zinc/34/62/59/428346259.db2.gz UQBSFXKWENTTFF-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP CC1CC[NH+](CCNC2CC[NH+](CCC(F)(F)F)CC2)CC1 ZINC000356899579 428356398 /nfs/dbraw/zinc/35/63/98/428356398.db2.gz OEJGIPXZGITFBH-UHFFFAOYSA-N 2 1 321.431 2.725 20 0 DFADMP CCc1nc(CN2CCC[C@H]2Cn2cc[nH+]c2C(C)C)no1 ZINC000371074650 428354502 /nfs/dbraw/zinc/35/45/02/428354502.db2.gz OSCFEXWAPDUJKC-ZDUSSCGKSA-N 2 1 303.410 2.617 20 0 DFADMP Cc1nnc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)s1 ZINC000378401839 428388077 /nfs/dbraw/zinc/38/80/77/428388077.db2.gz LEGQCVUETVTSLW-CYBMUJFWSA-N 2 1 306.479 2.543 20 0 DFADMP Cc1nnc(C[NH+]2CCC3(C[C@@H]3C[N@H+](C)C3CC3)CC2)s1 ZINC000378401839 428388080 /nfs/dbraw/zinc/38/80/80/428388080.db2.gz LEGQCVUETVTSLW-CYBMUJFWSA-N 2 1 306.479 2.543 20 0 DFADMP CC[N@H+](Cc1ccc(C(=O)N(C)C)cc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735033 428389869 /nfs/dbraw/zinc/38/98/69/428389869.db2.gz BVCZDKCXCJTDSF-WBVHZDCISA-N 2 1 317.477 2.598 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000414737282 428391441 /nfs/dbraw/zinc/39/14/41/428391441.db2.gz NMJILZCPYNRUIH-OAHLLOKOSA-N 2 1 316.424 2.881 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000414750186 428393223 /nfs/dbraw/zinc/39/32/23/428393223.db2.gz LAAVIWOHNJVVBX-QGZVFWFLSA-N 2 1 316.424 2.894 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1 ZINC000414750186 428393229 /nfs/dbraw/zinc/39/32/29/428393229.db2.gz LAAVIWOHNJVVBX-QGZVFWFLSA-N 2 1 316.424 2.894 20 0 DFADMP Cc1cc(NCC[N@H+]2CCOC(C)(C)C2)c2cc(F)ccc2[nH+]1 ZINC000360677271 428394542 /nfs/dbraw/zinc/39/45/42/428394542.db2.gz XTEDMXKFLRPLKM-UHFFFAOYSA-N 2 1 317.408 2.627 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC000371514209 428396105 /nfs/dbraw/zinc/39/61/05/428396105.db2.gz LBWODRXEYUDWHS-UHFFFAOYSA-N 2 1 305.510 2.883 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN[C@@H]3CCCC[C@@H]3C[NH3+])sc2C1 ZINC000414793123 428414106 /nfs/dbraw/zinc/41/41/06/428414106.db2.gz DECBZDJPMIEBNQ-ZIAGYGMSSA-N 2 1 322.522 2.517 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000414764004 428397999 /nfs/dbraw/zinc/39/79/99/428397999.db2.gz CWCDKAOUKHJLDQ-IYBDPMFKSA-N 2 1 304.434 2.525 20 0 DFADMP c1nc(-c2ccccn2)sc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414768633 428398132 /nfs/dbraw/zinc/39/81/32/428398132.db2.gz MDDPDLJOMZBZOI-OKILXGFUSA-N 2 1 314.458 2.637 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000346994041 428399316 /nfs/dbraw/zinc/39/93/16/428399316.db2.gz BQFVUOBULXDIIZ-ZDUSSCGKSA-N 2 1 304.463 2.580 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000346994041 428399320 /nfs/dbraw/zinc/39/93/20/428399320.db2.gz BQFVUOBULXDIIZ-ZDUSSCGKSA-N 2 1 304.463 2.580 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414773634 428400123 /nfs/dbraw/zinc/40/01/23/428400123.db2.gz DQBOIRYDEGGWKF-ZWKOTPCHSA-N 2 1 316.493 2.748 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775022 428400401 /nfs/dbraw/zinc/40/04/01/428400401.db2.gz GAYYVFBZROMNFP-CVEARBPZSA-N 2 1 311.429 2.762 20 0 DFADMP COc1ccc2nc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)sc2c1 ZINC000414773239 428401211 /nfs/dbraw/zinc/40/12/11/428401211.db2.gz WVLNHNOBQVLVRN-BETUJISGSA-N 2 1 317.458 2.736 20 0 DFADMP C[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360689030 428401859 /nfs/dbraw/zinc/40/18/59/428401859.db2.gz DPNYVZXGKGNOBR-PKOBYXMFSA-N 2 1 307.526 2.915 20 0 DFADMP CCOc1c(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)nn1CC(C)C ZINC000346997924 428403025 /nfs/dbraw/zinc/40/30/25/428403025.db2.gz DRPGWGUPGMAAKI-HOCLYGCPSA-N 2 1 322.497 2.805 20 0 DFADMP CCOc1c(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(C)nn1CC(C)C ZINC000346997924 428403033 /nfs/dbraw/zinc/40/30/33/428403033.db2.gz DRPGWGUPGMAAKI-HOCLYGCPSA-N 2 1 322.497 2.805 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414775729 428403309 /nfs/dbraw/zinc/40/33/09/428403309.db2.gz GNJODKHCVHQSNP-QZTJIDSGSA-N 2 1 310.445 2.694 20 0 DFADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414775793 428403983 /nfs/dbraw/zinc/40/39/83/428403983.db2.gz GWJKOQWGAAHAFH-RBUKOAKNSA-N 2 1 324.472 2.753 20 0 DFADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)n1 ZINC000414775794 428404638 /nfs/dbraw/zinc/40/46/38/428404638.db2.gz GWJKOQWGAAHAFH-RTBURBONSA-N 2 1 324.472 2.753 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2sccc2Cl)CC12CCOCC2 ZINC000414777876 428404902 /nfs/dbraw/zinc/40/49/02/428404902.db2.gz IOGXZNVVAIGNCE-NSHDSACASA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2sccc2Cl)CC12CCOCC2 ZINC000414777876 428404906 /nfs/dbraw/zinc/40/49/06/428404906.db2.gz IOGXZNVVAIGNCE-NSHDSACASA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2ccsc2Cl)CC12CCOCC2 ZINC000414778993 428405012 /nfs/dbraw/zinc/40/50/12/428405012.db2.gz JYWJGCPUWGNTIR-LBPRGKRZSA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccsc2Cl)CC12CCOCC2 ZINC000414778993 428405014 /nfs/dbraw/zinc/40/50/14/428405014.db2.gz JYWJGCPUWGNTIR-LBPRGKRZSA-N 2 1 300.855 2.589 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414784980 428405824 /nfs/dbraw/zinc/40/58/24/428405824.db2.gz RXODUMZWEZBCJW-QZTJIDSGSA-N 2 1 318.461 2.533 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C3CC3)cc2)CC12CCOCC2 ZINC000414783543 428407905 /nfs/dbraw/zinc/40/79/05/428407905.db2.gz QATCYVYYCYPAAK-SFHVURJKSA-N 2 1 300.446 2.751 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000414785304 428408009 /nfs/dbraw/zinc/40/80/09/428408009.db2.gz SIUJGYOQEUFVFE-ZWKOTPCHSA-N 2 1 310.445 2.694 20 0 DFADMP Brc1cncc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786640 428409236 /nfs/dbraw/zinc/40/92/36/428409236.db2.gz UQUJKGTWFWEKNA-KBPBESRZSA-N 2 1 324.266 2.666 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347021867 428409807 /nfs/dbraw/zinc/40/98/07/428409807.db2.gz NXELRZZPTGQEBF-ZYHUDNBSSA-N 2 1 302.340 2.986 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C1 ZINC000347021867 428409816 /nfs/dbraw/zinc/40/98/16/428409816.db2.gz NXELRZZPTGQEBF-ZYHUDNBSSA-N 2 1 302.340 2.986 20 0 DFADMP CC/C=C(\C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371093994 428357250 /nfs/dbraw/zinc/35/72/50/428357250.db2.gz NGEHEIJXIWPXGF-FZSIALSZSA-N 2 1 321.509 2.655 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@](F)(c2nc(-c3ccc(C[NH3+])cc3)no2)C1 ZINC000414652833 428364957 /nfs/dbraw/zinc/36/49/57/428364957.db2.gz WREWXGXLXCKHLG-KRWDZBQOSA-N 2 1 318.396 2.864 20 0 DFADMP CCc1nc([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000360603941 428365455 /nfs/dbraw/zinc/36/54/55/428365455.db2.gz GRYOYJAPVDWYLB-HNNXBMFYSA-N 2 1 317.437 2.797 20 0 DFADMP CCc1nc([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000360603941 428365456 /nfs/dbraw/zinc/36/54/56/428365456.db2.gz GRYOYJAPVDWYLB-HNNXBMFYSA-N 2 1 317.437 2.797 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H](C)c3ccccn3)C2)nc(C)[nH+]1 ZINC000371151624 428370657 /nfs/dbraw/zinc/37/06/57/428370657.db2.gz OVSUNZRZGIMXOB-HOCLYGCPSA-N 2 1 311.433 2.808 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@H]2CC[NH2+]C2)C1 ZINC000371158082 428371078 /nfs/dbraw/zinc/37/10/78/428371078.db2.gz ZYLJRBUISSPRAI-JKSUJKDBSA-N 2 1 318.465 2.560 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000353058082 428372429 /nfs/dbraw/zinc/37/24/29/428372429.db2.gz CLDMBXORPGMGRQ-HNNXBMFYSA-N 2 1 311.514 2.734 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000353058082 428372432 /nfs/dbraw/zinc/37/24/32/428372432.db2.gz CLDMBXORPGMGRQ-HNNXBMFYSA-N 2 1 311.514 2.734 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414684846 428376656 /nfs/dbraw/zinc/37/66/56/428376656.db2.gz WZMNYCVJKPKBDF-WMZOPIPTSA-N 2 1 319.468 2.722 20 0 DFADMP CC(C)[C@H](c1ccccc1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414688523 428376982 /nfs/dbraw/zinc/37/69/82/428376982.db2.gz DRDYLJGNVNKWLP-QFBILLFUSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1NC[C@@H]1CCCC[NH+](Cc2ccccc2)C1 ZINC000353081717 428378655 /nfs/dbraw/zinc/37/86/55/428378655.db2.gz OEPQHUVKVKGWIK-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353081717 428378661 /nfs/dbraw/zinc/37/86/61/428378661.db2.gz OEPQHUVKVKGWIK-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353081717 428378668 /nfs/dbraw/zinc/37/86/68/428378668.db2.gz OEPQHUVKVKGWIK-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000353081717 428378675 /nfs/dbraw/zinc/37/86/75/428378675.db2.gz OEPQHUVKVKGWIK-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000353081717 428378683 /nfs/dbraw/zinc/37/86/83/428378683.db2.gz OEPQHUVKVKGWIK-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2)CC[NH2+]1 ZINC000414698138 428378853 /nfs/dbraw/zinc/37/88/53/428378853.db2.gz IPPRKZCMOFBPDF-LMMKCTJWSA-N 2 1 301.478 2.975 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](CCCO)Cc2cccc(Cl)c2)CC[NH2+]1 ZINC000414698364 428379729 /nfs/dbraw/zinc/37/97/29/428379729.db2.gz DCHUPUNHLANWJE-GOEBONIOSA-N 2 1 310.869 2.913 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](CC(Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000414701547 428381085 /nfs/dbraw/zinc/38/10/85/428381085.db2.gz ADTHWKYDRHJBPN-NRFANRHFSA-N 2 1 324.468 2.748 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CC(Cc2ccccc2)Cc2ccccc2)CCO1 ZINC000414701547 428381089 /nfs/dbraw/zinc/38/10/89/428381089.db2.gz ADTHWKYDRHJBPN-NRFANRHFSA-N 2 1 324.468 2.748 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)CC[NH2+]1 ZINC000414704219 428381488 /nfs/dbraw/zinc/38/14/88/428381488.db2.gz CZGVNHDTGBVGME-AEFFLSMTSA-N 2 1 316.493 2.618 20 0 DFADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@@H](C)C1)C[C@@H]1COc2ccccc2O1 ZINC000414703731 428381712 /nfs/dbraw/zinc/38/17/12/428381712.db2.gz LVGJKELGKFQMBW-GVDBMIGSSA-N 2 1 318.461 2.927 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713067 428383680 /nfs/dbraw/zinc/38/36/80/428383680.db2.gz VQQWUIFWQDRTFR-HOTGVXAUSA-N 2 1 310.445 2.619 20 0 DFADMP Cc1cccc2ncc(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)n21 ZINC000372413106 428443621 /nfs/dbraw/zinc/44/36/21/428443621.db2.gz GLSXLCCZBLSKKD-UHFFFAOYSA-N 2 1 323.444 2.831 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347098890 428445713 /nfs/dbraw/zinc/44/57/13/428445713.db2.gz IXAYDEHCLHVTJI-KPZWWZAWSA-N 2 1 316.424 2.797 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000347098890 428445718 /nfs/dbraw/zinc/44/57/18/428445718.db2.gz IXAYDEHCLHVTJI-KPZWWZAWSA-N 2 1 316.424 2.797 20 0 DFADMP CC(C)[C@H](O)CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233891 428448718 /nfs/dbraw/zinc/44/87/18/428448718.db2.gz RTCMSXNABMUYKB-BHIYHBOVSA-N 2 1 304.478 2.894 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357241510 428450983 /nfs/dbraw/zinc/45/09/83/428450983.db2.gz XLJYWNRVKYSNNL-LNLFQRSKSA-N 2 1 320.477 2.538 20 0 DFADMP CCOc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)cc(Cl)c1OC ZINC000414903127 428451696 /nfs/dbraw/zinc/45/16/96/428451696.db2.gz HYIUXLSWIAWZPR-CYBMUJFWSA-N 2 1 312.841 2.979 20 0 DFADMP CCCOc1ccc(C[NH2+]C[C@H]2CC[NH2+]C2)c(OCCC)c1 ZINC000414904403 428452635 /nfs/dbraw/zinc/45/26/35/428452635.db2.gz JYRBPWDIBGQBME-HNNXBMFYSA-N 2 1 306.450 2.963 20 0 DFADMP CC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC[NH2+]CC1 ZINC000414910806 428454322 /nfs/dbraw/zinc/45/43/22/428454322.db2.gz STSCLXMHBCMOQR-UHFFFAOYSA-N 3 1 315.505 2.673 20 0 DFADMP Cc1csc(N2CCC([NH2+]C[C@H]3[NH2+]CCCC3(C)C)CC2)n1 ZINC000414921083 428460131 /nfs/dbraw/zinc/46/01/31/428460131.db2.gz ARJSAPJEFGTQOO-OAHLLOKOSA-N 2 1 322.522 2.788 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414929796 428460382 /nfs/dbraw/zinc/46/03/82/428460382.db2.gz PALLVZRSNQBODG-CZUORRHYSA-N 2 1 321.440 2.911 20 0 DFADMP COc1cc2c(c(C[N@@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c1)O[C@H](C)C2 ZINC000347141465 428464766 /nfs/dbraw/zinc/46/47/66/428464766.db2.gz WOVJFESADSXPGA-RDBSUJKOSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)c1)O[C@H](C)C2 ZINC000347141465 428464772 /nfs/dbraw/zinc/46/47/72/428464772.db2.gz WOVJFESADSXPGA-RDBSUJKOSA-N 2 1 304.434 2.578 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC[NH2+]1 ZINC000414944855 428466258 /nfs/dbraw/zinc/46/62/58/428466258.db2.gz HLGSNUWDFIJJNK-RWQQGDIJSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000414801720 428415736 /nfs/dbraw/zinc/41/57/36/428415736.db2.gz MALHTLCXXILLCN-YSHGAJCASA-N 2 1 301.478 2.929 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCCC[C@@H]2C[NH3+])C1 ZINC000414801720 428415740 /nfs/dbraw/zinc/41/57/40/428415740.db2.gz MALHTLCXXILLCN-YSHGAJCASA-N 2 1 301.478 2.929 20 0 DFADMP CC(C)[C@H]([NH3+])CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414800273 428416139 /nfs/dbraw/zinc/41/61/39/428416139.db2.gz SBDDLSZTWMPSIV-XVLXNVKGSA-N 2 1 301.478 2.755 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414797359 428416259 /nfs/dbraw/zinc/41/62/59/428416259.db2.gz IOGOOVZVCRNRTM-CXAGYDPISA-N 2 1 303.450 2.854 20 0 DFADMP CC(C)([NH3+])C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414805338 428418345 /nfs/dbraw/zinc/41/83/45/428418345.db2.gz OPOQZWSLKQBGJH-UHFFFAOYSA-N 2 1 312.339 2.718 20 0 DFADMP Cc1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1Cl ZINC000414812196 428419013 /nfs/dbraw/zinc/41/90/13/428419013.db2.gz XCGNQIKUHWTRGU-ABAIWWIYSA-N 2 1 309.841 2.692 20 0 DFADMP COc1ccc2nc(C[NH2+][C@@H](C)[C@@H]3CCC[NH2+]C3)sc2c1 ZINC000414818579 428422228 /nfs/dbraw/zinc/42/22/28/428422228.db2.gz FMOSQFZRYFNQGX-NWDGAFQWSA-N 2 1 305.447 2.783 20 0 DFADMP COc1ccc2nc(C[NH2+][C@H](C)[C@H]3CCC[NH2+]C3)sc2c1 ZINC000414818577 428422240 /nfs/dbraw/zinc/42/22/40/428422240.db2.gz FMOSQFZRYFNQGX-NEPJUHHUSA-N 2 1 305.447 2.783 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)c(Cl)c1 ZINC000414812636 428422773 /nfs/dbraw/zinc/42/27/73/428422773.db2.gz XQNNLAHNAJJTQM-XHDPSFHLSA-N 2 1 309.841 2.692 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414816779 428422967 /nfs/dbraw/zinc/42/29/67/428422967.db2.gz QPHFBIODXSWBNZ-HIFRSBDPSA-N 2 1 307.438 2.519 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414826461 428424493 /nfs/dbraw/zinc/42/44/93/428424493.db2.gz FOAHJJQCWLDWKN-AOIWGVFYSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414826461 428424497 /nfs/dbraw/zinc/42/44/97/428424497.db2.gz FOAHJJQCWLDWKN-AOIWGVFYSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)[C@H]1CCC[NH2+]C1 ZINC000414823090 428425523 /nfs/dbraw/zinc/42/55/23/428425523.db2.gz AVOJEWYITCHXBM-NEPJUHHUSA-N 2 1 306.841 2.704 20 0 DFADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000360758271 428427469 /nfs/dbraw/zinc/42/74/69/428427469.db2.gz GCKRYMIMYZFUFM-XEYPJELSSA-N 2 1 313.489 2.821 20 0 DFADMP COc1cc(Br)ccc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414829205 428427533 /nfs/dbraw/zinc/42/75/33/428427533.db2.gz NLPUBRUEWRPWMA-NSHDSACASA-N 2 1 313.239 2.547 20 0 DFADMP CCOc1c(OC)cc(C[NH2+]CC2([NH3+])CCCCC2)cc1OC ZINC000414838738 428430781 /nfs/dbraw/zinc/43/07/81/428430781.db2.gz IQQYMERTANOCMW-UHFFFAOYSA-N 2 1 322.449 2.854 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+]Cc1ccc(Oc2cnccn2)cc1 ZINC000414837246 428431007 /nfs/dbraw/zinc/43/10/07/428431007.db2.gz JGVYGQAHKMTOCM-HNNXBMFYSA-N 2 1 300.406 2.732 20 0 DFADMP [NH3+]C[C@@H]([NH2+]C1CCN(c2nccs2)CC1)C1CCCCC1 ZINC000414852788 428432681 /nfs/dbraw/zinc/43/26/81/428432681.db2.gz RRTOTNUJBHQBFK-OAHLLOKOSA-N 2 1 308.495 2.609 20 0 DFADMP CCn1cc(CN2C[C@@H]3C[N@@H+](C)[C@H](c4ccccc4)[C@@H]3C2)cn1 ZINC000360776932 428433138 /nfs/dbraw/zinc/43/31/38/428433138.db2.gz ILQIUDOPRVLWRU-IPMKNSEASA-N 2 1 310.445 2.638 20 0 DFADMP Clc1ccc(CN2CCC([NH2+]C[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414851023 428433222 /nfs/dbraw/zinc/43/32/22/428433222.db2.gz STHBWCKLQNIADJ-QGZVFWFLSA-N 2 1 307.869 2.646 20 0 DFADMP CC[C@H]([NH3+])C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414984272 428479751 /nfs/dbraw/zinc/47/97/51/428479751.db2.gz GBLNXXKNRUTDPE-HNNXBMFYSA-N 2 1 313.449 2.887 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347176751 428482855 /nfs/dbraw/zinc/48/28/55/428482855.db2.gz RCQAGUCUHGKZPJ-GFCCVEGCSA-N 2 1 304.825 2.901 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000393343839 428483996 /nfs/dbraw/zinc/48/39/96/428483996.db2.gz CLZIVMBBMXKPIC-MSOLQXFVSA-N 2 1 318.461 2.784 20 0 DFADMP CCCn1c(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)nc2ccccc21 ZINC000414997169 428484668 /nfs/dbraw/zinc/48/46/68/428484668.db2.gz HEFSKXRXYMYHCU-ZDUSSCGKSA-N 2 1 322.403 2.781 20 0 DFADMP [NH3+][C@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414999612 428486328 /nfs/dbraw/zinc/48/63/28/428486328.db2.gz JKVUBEKRVCPFJD-OALUTQOASA-N 3 1 315.505 2.801 20 0 DFADMP Cn1nccc1CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000372689919 428487009 /nfs/dbraw/zinc/48/70/09/428487009.db2.gz GACFPYGQFMSUFH-KRWDZBQOSA-N 2 1 304.482 2.551 20 0 DFADMP Cn1nccc1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000372689919 428487013 /nfs/dbraw/zinc/48/70/13/428487013.db2.gz GACFPYGQFMSUFH-KRWDZBQOSA-N 2 1 304.482 2.551 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000394428514 428488704 /nfs/dbraw/zinc/48/87/04/428488704.db2.gz VYABGXUIXQQBNQ-KDURUIRLSA-N 2 1 308.425 2.917 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3C[C@H]4C[NH2+]C[C@H]4C3)c2)cc1 ZINC000394428514 428488712 /nfs/dbraw/zinc/48/87/12/428488712.db2.gz VYABGXUIXQQBNQ-KDURUIRLSA-N 2 1 308.425 2.917 20 0 DFADMP CCc1nc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000342931966 428488927 /nfs/dbraw/zinc/48/89/27/428488927.db2.gz LNZYNFZHHMDBGQ-HUUCEWRRSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1nc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000342931966 428488933 /nfs/dbraw/zinc/48/89/33/428488933.db2.gz LNZYNFZHHMDBGQ-HUUCEWRRSA-N 2 1 302.466 3.412 20 0 DFADMP FC(F)(F)Oc1cccc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000415005595 428488952 /nfs/dbraw/zinc/48/89/52/428488952.db2.gz PHCWCSIDSZHHLB-NSHDSACASA-N 2 1 324.293 2.920 20 0 DFADMP COc1ccc([C@@H](C)C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000342919312 428489093 /nfs/dbraw/zinc/48/90/93/428489093.db2.gz UCDJGASLHKXKLE-HOTGVXAUSA-N 2 1 320.477 2.576 20 0 DFADMP CCCCOc1ccc(C[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000415033500 428493520 /nfs/dbraw/zinc/49/35/20/428493520.db2.gz ITTRTRKTYNDWRM-HWWDLCQESA-N 2 1 304.434 2.572 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc(OC)c1 ZINC000415038718 428495365 /nfs/dbraw/zinc/49/53/65/428495365.db2.gz IGGRIXSSSPJPLR-CRAIPNDOSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1C[NH2+]C[C@H]1c1ccccc1)CC1CCOCC1 ZINC000415038215 428495564 /nfs/dbraw/zinc/49/55/64/428495564.db2.gz HTTKOPNLMGGBDK-AYOQOUSVSA-N 2 1 302.462 2.784 20 0 DFADMP CCc1cccc(C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000372745571 428499626 /nfs/dbraw/zinc/49/96/26/428499626.db2.gz UEZGXQQGDQJGIM-HXUWFJFHSA-N 2 1 315.505 2.708 20 0 DFADMP c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2c(c1)OCCCO2 ZINC000415052724 428501173 /nfs/dbraw/zinc/50/11/73/428501173.db2.gz NOAGPCQEYXWFTG-WBVHZDCISA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c2c(c1)OCCCO2 ZINC000415052724 428501176 /nfs/dbraw/zinc/50/11/76/428501176.db2.gz NOAGPCQEYXWFTG-WBVHZDCISA-N 2 1 316.445 2.812 20 0 DFADMP CCc1ccccc1NC(=O)C[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053489 428501884 /nfs/dbraw/zinc/50/18/84/428501884.db2.gz KBRZFKWXIVWARJ-SPYBWZPUSA-N 2 1 317.477 2.883 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415055014 428502762 /nfs/dbraw/zinc/50/27/62/428502762.db2.gz QOWKQCHZRFVACH-ROUUACIJSA-N 2 1 314.477 2.646 20 0 DFADMP C[C@H](CCC(F)(F)F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415057650 428503649 /nfs/dbraw/zinc/50/36/49/428503649.db2.gz RYDWDKZKWQSWKZ-IYXRBSQSSA-N 2 1 307.404 2.523 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1F ZINC000415058943 428503685 /nfs/dbraw/zinc/50/36/85/428503685.db2.gz SMIXBRHIUGBSEP-HBUWYVDXSA-N 2 1 308.441 2.930 20 0 DFADMP C[C@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)Cc1ccccc1 ZINC000415059612 428504154 /nfs/dbraw/zinc/50/41/54/428504154.db2.gz VCBPNQRCCBOQES-KKXNLOMOSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@@]1(C)C[NH3+] ZINC000415057773 428504529 /nfs/dbraw/zinc/50/45/29/428504529.db2.gz UBYPCXPSFASHES-MLGOLLRUSA-N 2 1 304.463 2.565 20 0 DFADMP C[C@@H]1C[N@H+](Cc2c(C3CC3)nc3sccn23)C[C@@]1(C)C[NH3+] ZINC000415058657 428504797 /nfs/dbraw/zinc/50/47/97/428504797.db2.gz WELMPJKRXVJFNL-BDJLRTHQSA-N 2 1 304.463 2.690 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2c(C3CC3)nc3sccn23)C[C@@]1(C)C[NH3+] ZINC000415058657 428504800 /nfs/dbraw/zinc/50/48/00/428504800.db2.gz WELMPJKRXVJFNL-BDJLRTHQSA-N 2 1 304.463 2.690 20 0 DFADMP COc1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1OC(F)F ZINC000415066484 428505769 /nfs/dbraw/zinc/50/57/69/428505769.db2.gz IWLKFXFUAYQIJY-UHFFFAOYSA-N 2 1 300.349 2.528 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000415064717 428506614 /nfs/dbraw/zinc/50/66/14/428506614.db2.gz LHENDIDPXOFDLG-ATZDWAIDSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415061889 428507533 /nfs/dbraw/zinc/50/75/33/428507533.db2.gz YZTVZFMBDBXUGQ-ZLPCBKJTSA-N 2 1 319.468 2.563 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000360955823 428507736 /nfs/dbraw/zinc/50/77/36/428507736.db2.gz DGSXFRIDNGQIAD-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@@]1(C)C[NH3+] ZINC000415059851 428507934 /nfs/dbraw/zinc/50/79/34/428507934.db2.gz ZOBYBIDSMUGPBY-MLGOLLRUSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@@]1(C)C[NH3+] ZINC000415059851 428507936 /nfs/dbraw/zinc/50/79/36/428507936.db2.gz ZOBYBIDSMUGPBY-MLGOLLRUSA-N 2 1 302.447 2.622 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1)C1CCCC1 ZINC000415069406 428508494 /nfs/dbraw/zinc/50/84/94/428508494.db2.gz SMKNKCSATSZYRK-RBUKOAKNSA-N 2 1 318.461 2.852 20 0 DFADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000397433050 428508650 /nfs/dbraw/zinc/50/86/50/428508650.db2.gz ZUIZOAYWOFHJJW-AGIUHOORSA-N 2 1 306.841 2.793 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cn3cc(Cl)ccc3n2)C[C@@H]1C[NH3+] ZINC000397433050 428508656 /nfs/dbraw/zinc/50/86/56/428508656.db2.gz ZUIZOAYWOFHJJW-AGIUHOORSA-N 2 1 306.841 2.793 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396613 428510501 /nfs/dbraw/zinc/51/05/01/428510501.db2.gz PMMIOVYZRPFPHA-PMPSAXMXSA-N 2 1 306.450 2.769 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000398004332 428515680 /nfs/dbraw/zinc/51/56/80/428515680.db2.gz AJFYXBDPCZNKDT-YSHGAJCASA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000398004332 428515688 /nfs/dbraw/zinc/51/56/88/428515688.db2.gz AJFYXBDPCZNKDT-YSHGAJCASA-N 2 1 301.478 2.757 20 0 DFADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)ccc1F ZINC000353386190 428515923 /nfs/dbraw/zinc/51/59/23/428515923.db2.gz LPVFAOHKCFETMI-NXHRZFHOSA-N 2 1 306.425 2.935 20 0 DFADMP C[C@@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000415088013 428516297 /nfs/dbraw/zinc/51/62/97/428516297.db2.gz WWBROHYTDCJPQQ-AAEUAGOBSA-N 2 1 317.355 2.643 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCCC[NH2+]1 ZINC000398038574 428517455 /nfs/dbraw/zinc/51/74/55/428517455.db2.gz QXPBLXHUBOQLRB-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H](C(=O)N1CCC([NH+]2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000343085277 428517648 /nfs/dbraw/zinc/51/76/48/428517648.db2.gz NLLCAPGEWWZCIS-BBWFWOEESA-N 2 1 321.509 2.725 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CCC[NH2+]CC1 ZINC000398054378 428517776 /nfs/dbraw/zinc/51/77/76/428517776.db2.gz YYIRMXPVIHUCGA-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCC[NH2+]CC1 ZINC000398054378 428517782 /nfs/dbraw/zinc/51/77/82/428517782.db2.gz YYIRMXPVIHUCGA-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP Cn1cc(C[NH2+]C2CC[NH+](C)CC2)c(-c2ccccc2Cl)n1 ZINC000343076797 428518557 /nfs/dbraw/zinc/51/85/57/428518557.db2.gz CFZCOBUMROKDGO-UHFFFAOYSA-N 2 1 318.852 2.924 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000353393391 428519261 /nfs/dbraw/zinc/51/92/61/428519261.db2.gz JUHWCXRLAUMYTN-GBESFXJTSA-N 2 1 310.445 2.835 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000353393391 428519266 /nfs/dbraw/zinc/51/92/66/428519266.db2.gz JUHWCXRLAUMYTN-GBESFXJTSA-N 2 1 310.445 2.835 20 0 DFADMP CON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398172062 428519431 /nfs/dbraw/zinc/51/94/31/428519431.db2.gz UXCLLACNTVTIRS-QFBILLFUSA-N 2 1 317.477 2.512 20 0 DFADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398172062 428519436 /nfs/dbraw/zinc/51/94/36/428519436.db2.gz UXCLLACNTVTIRS-QFBILLFUSA-N 2 1 317.477 2.512 20 0 DFADMP C[C@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000398067493 428519828 /nfs/dbraw/zinc/51/98/28/428519828.db2.gz HYUCQORXIXPDOL-LPHOPBHVSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCCC[NH2+]C1CC1 ZINC000398063654 428520039 /nfs/dbraw/zinc/52/00/39/428520039.db2.gz XCMANEWGDKNIED-LPHOPBHVSA-N 2 1 301.478 2.629 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415101858 428521725 /nfs/dbraw/zinc/52/17/25/428521725.db2.gz BSBNLGMVPDURCD-UKRRQHHQSA-N 2 1 316.424 2.737 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000415101858 428521729 /nfs/dbraw/zinc/52/17/29/428521729.db2.gz BSBNLGMVPDURCD-UKRRQHHQSA-N 2 1 316.424 2.737 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415101851 428522038 /nfs/dbraw/zinc/52/20/38/428522038.db2.gz BSBNLGMVPDURCD-DZGCQCFKSA-N 2 1 316.424 2.737 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415101851 428522043 /nfs/dbraw/zinc/52/20/43/428522043.db2.gz BSBNLGMVPDURCD-DZGCQCFKSA-N 2 1 316.424 2.737 20 0 DFADMP C[C@H](C[N@@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415104431 428522570 /nfs/dbraw/zinc/52/25/70/428522570.db2.gz GXHWHFYDFATVIZ-IUODEOHRSA-N 2 1 316.367 2.859 20 0 DFADMP C[C@H](C[N@H+]1CCCO[C@H](C[NH3+])C1)c1ccc(C(F)(F)F)cc1 ZINC000415104431 428522574 /nfs/dbraw/zinc/52/25/74/428522574.db2.gz GXHWHFYDFATVIZ-IUODEOHRSA-N 2 1 316.367 2.859 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000360974272 428523065 /nfs/dbraw/zinc/52/30/65/428523065.db2.gz IETHOTADOWZZHB-UHFFFAOYSA-N 2 1 316.445 2.993 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000415114303 428524304 /nfs/dbraw/zinc/52/43/04/428524304.db2.gz FTURYPXRQFSQBT-INIZCTEOSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNC1CC[NH2+]CC1 ZINC000415114303 428524310 /nfs/dbraw/zinc/52/43/10/428524310.db2.gz FTURYPXRQFSQBT-INIZCTEOSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNC1CC[NH2+]CC1 ZINC000415114303 428524317 /nfs/dbraw/zinc/52/43/17/428524317.db2.gz FTURYPXRQFSQBT-INIZCTEOSA-N 2 1 301.478 2.903 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)c1 ZINC000373222832 428524666 /nfs/dbraw/zinc/52/46/66/428524666.db2.gz DTZHRWNJJCEQKC-CVAIRZPRSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@@H]3Cc4ccccc4[C@@H]3O)C2)c1 ZINC000373222832 428524669 /nfs/dbraw/zinc/52/46/69/428524669.db2.gz DTZHRWNJJCEQKC-CVAIRZPRSA-N 2 1 323.440 2.782 20 0 DFADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000415125495 428528342 /nfs/dbraw/zinc/52/83/42/428528342.db2.gz LHDQSIJLROXIFR-VYDXJSESSA-N 2 1 305.470 2.590 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414956056 428472005 /nfs/dbraw/zinc/47/20/05/428472005.db2.gz MXXQZCVAWFORLR-BLLLJJGKSA-N 2 1 304.825 2.613 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414954600 428472825 /nfs/dbraw/zinc/47/28/25/428472825.db2.gz STVCRJDZYVPWPL-MWLCHTKSSA-N 2 1 301.203 2.818 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH2+]CC1 ZINC000390654508 428474171 /nfs/dbraw/zinc/47/41/71/428474171.db2.gz OGYMFBNZOWRXEI-SFHVURJKSA-N 2 1 301.478 2.629 20 0 DFADMP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CC[NH2+]CC1 ZINC000390654508 428474175 /nfs/dbraw/zinc/47/41/75/428474175.db2.gz OGYMFBNZOWRXEI-SFHVURJKSA-N 2 1 301.478 2.629 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)sc2C1 ZINC000414969756 428479086 /nfs/dbraw/zinc/47/90/86/428479086.db2.gz JKQBRAMJOSJEEY-CQSZACIVSA-N 3 1 322.522 2.531 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC[C@@H]3CCC[NH2+]3)sc2C1 ZINC000414969756 428479090 /nfs/dbraw/zinc/47/90/90/428479090.db2.gz JKQBRAMJOSJEEY-CQSZACIVSA-N 3 1 322.522 2.531 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H](O)CC1CCCC1)Cc1ccco1 ZINC000353543980 428585579 /nfs/dbraw/zinc/58/55/79/428585579.db2.gz ORKGHUKLLJOFLF-KRWDZBQOSA-N 2 1 308.466 2.975 20 0 DFADMP CC(C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cn1 ZINC000353552085 428590880 /nfs/dbraw/zinc/59/08/80/428590880.db2.gz MVNVMVRAORIHHB-GOSISDBHSA-N 2 1 322.472 2.535 20 0 DFADMP c1c2ccccc2oc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415131936 428533041 /nfs/dbraw/zinc/53/30/41/428533041.db2.gz KHVSQGGQYQOVBO-SJORKVTESA-N 2 1 312.413 2.633 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@@H]1C[NH3+] ZINC000415136603 428535051 /nfs/dbraw/zinc/53/50/51/428535051.db2.gz XKDUNGMIFHTSJA-OLZOCXBDSA-N 2 1 304.463 2.565 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000415136691 428535140 /nfs/dbraw/zinc/53/51/40/428535140.db2.gz XOKDXIMLMLJIDM-NVXWUHKLSA-N 2 1 312.461 2.812 20 0 DFADMP CC(C)c1ccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415138211 428535839 /nfs/dbraw/zinc/53/58/39/428535839.db2.gz YOZHTYQEGZMRCG-GOSISDBHSA-N 2 1 313.449 2.697 20 0 DFADMP c1cncc(C[N@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000373300322 428541459 /nfs/dbraw/zinc/54/14/59/428541459.db2.gz AVFUEQPAGGQQLV-IRXDYDNUSA-N 2 1 305.491 2.636 20 0 DFADMP c1cncc(C[N@@H+]2CCC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)c1 ZINC000373300322 428541464 /nfs/dbraw/zinc/54/14/64/428541464.db2.gz AVFUEQPAGGQQLV-IRXDYDNUSA-N 2 1 305.491 2.636 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000347315597 428541814 /nfs/dbraw/zinc/54/18/14/428541814.db2.gz QDEVFZWRDMJIJH-GVDBMIGSSA-N 2 1 308.491 2.630 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000347315597 428541817 /nfs/dbraw/zinc/54/18/17/428541817.db2.gz QDEVFZWRDMJIJH-GVDBMIGSSA-N 2 1 308.491 2.630 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H](CO)[C@@H](c2ccsc2)C1 ZINC000347315597 428541824 /nfs/dbraw/zinc/54/18/24/428541824.db2.gz QDEVFZWRDMJIJH-GVDBMIGSSA-N 2 1 308.491 2.630 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)[C@@H](C)C1 ZINC000347318257 428542781 /nfs/dbraw/zinc/54/27/81/428542781.db2.gz NALHQSDRFPTEQM-XHSDSOJGSA-N 2 1 318.509 2.815 20 0 DFADMP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000347316786 428543691 /nfs/dbraw/zinc/54/36/91/428543691.db2.gz MFRZZNZQDSDZRE-RAFMOHDBSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)[C@H]1CCC[NH2+]1 ZINC000400479000 428545619 /nfs/dbraw/zinc/54/56/19/428545619.db2.gz VSEHOTSKVPOMNP-UKBAYJJMSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H](NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400811614 428547935 /nfs/dbraw/zinc/54/79/35/428547935.db2.gz YNKPJQDKDIJFAV-YTQUADARSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H](NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400757440 428548736 /nfs/dbraw/zinc/54/87/36/428548736.db2.gz XIIYKCRLCURUST-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CC[NH2+]C1 ZINC000400757440 428548743 /nfs/dbraw/zinc/54/87/43/428548743.db2.gz XIIYKCRLCURUST-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP CSC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000361240718 428550746 /nfs/dbraw/zinc/55/07/46/428550746.db2.gz QNRWSIHZMYYKSZ-RBSFLKMASA-N 2 1 300.512 2.607 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[N@@H+](C)Cc1ccccc1 ZINC000401004066 428551328 /nfs/dbraw/zinc/55/13/28/428551328.db2.gz ASJKKUQBLBUIDO-RSPOEFSDSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)N(C)Cc1ccccc1 ZINC000401004066 428551332 /nfs/dbraw/zinc/55/13/32/428551332.db2.gz ASJKKUQBLBUIDO-RSPOEFSDSA-N 2 1 315.505 2.875 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353465209 428551600 /nfs/dbraw/zinc/55/16/00/428551600.db2.gz WGUKKGQZIQYCIG-JYJNAYRXSA-N 2 1 318.852 2.950 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cn3cc(Cl)ccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353465209 428551604 /nfs/dbraw/zinc/55/16/04/428551604.db2.gz WGUKKGQZIQYCIG-JYJNAYRXSA-N 2 1 318.852 2.950 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000402708801 428560091 /nfs/dbraw/zinc/56/00/91/428560091.db2.gz RJMJHNKAOUZYTJ-PKOBYXMFSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1cncc(CC[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1 ZINC000402708799 428560484 /nfs/dbraw/zinc/56/04/84/428560484.db2.gz RJMJHNKAOUZYTJ-IEBWSBKVSA-N 2 1 324.472 2.828 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@H]1CC[NH3+] ZINC000404317589 428565681 /nfs/dbraw/zinc/56/56/81/428565681.db2.gz PJHWZANOPUSVNP-OWSLCNJRSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N2CCC[C@@H]3CCCC[C@@H]32)[C@H]1CC[NH3+] ZINC000404317589 428565686 /nfs/dbraw/zinc/56/56/86/428565686.db2.gz PJHWZANOPUSVNP-OWSLCNJRSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000404311287 428566310 /nfs/dbraw/zinc/56/63/10/428566310.db2.gz WPLXBCUCUYVLEB-BBRMVZONSA-N 2 1 307.413 2.604 20 0 DFADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404333150 428567198 /nfs/dbraw/zinc/56/71/98/428567198.db2.gz ZVVSJEOGYMZEEX-JFIYKMOQSA-N 2 1 317.477 2.655 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000361488387 428569274 /nfs/dbraw/zinc/56/92/74/428569274.db2.gz ZICHJMLRTZYBNL-QGPMSJSTSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000361488387 428569280 /nfs/dbraw/zinc/56/92/80/428569280.db2.gz ZICHJMLRTZYBNL-QGPMSJSTSA-N 2 1 305.441 2.724 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000353509009 428571193 /nfs/dbraw/zinc/57/11/93/428571193.db2.gz IICYVWGMVHHIJI-IYWMVGAKSA-N 2 1 314.473 2.505 20 0 DFADMP CCC[N@@H+](CC)CCNc1cc(CC)nc(-c2ccncc2)n1 ZINC000353516079 428572147 /nfs/dbraw/zinc/57/21/47/428572147.db2.gz MRTKAQKTIKKQTC-UHFFFAOYSA-N 2 1 313.449 2.667 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353564754 428598211 /nfs/dbraw/zinc/59/82/11/428598211.db2.gz IGSKHBKBUSUWMI-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353564754 428598215 /nfs/dbraw/zinc/59/82/15/428598215.db2.gz IGSKHBKBUSUWMI-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000353564754 428598220 /nfs/dbraw/zinc/59/82/20/428598220.db2.gz IGSKHBKBUSUWMI-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000353564754 428598224 /nfs/dbraw/zinc/59/82/24/428598224.db2.gz IGSKHBKBUSUWMI-IEBWSBKVSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@](C)(O)C(F)(F)F)CC2)C1 ZINC000358380092 428598295 /nfs/dbraw/zinc/59/82/95/428598295.db2.gz WPGOVEGUVINGJI-BPLDGKMQSA-N 2 1 322.415 2.932 20 0 DFADMP CN(C)C(=[NH2+])NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000361802352 428598617 /nfs/dbraw/zinc/59/86/17/428598617.db2.gz BEZBPSXQGIMLEC-UKRRQHHQSA-N 2 1 308.857 2.809 20 0 DFADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@@H]1CCCc2occc21 ZINC000343970037 428599607 /nfs/dbraw/zinc/59/96/07/428599607.db2.gz BYIRTNSWVDOFAD-MRXNPFEDSA-N 2 1 315.417 2.782 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000353568726 428599707 /nfs/dbraw/zinc/59/97/07/428599707.db2.gz BJGFUZSIXBIKMA-SCTDSRPQSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000353568726 428599712 /nfs/dbraw/zinc/59/97/12/428599712.db2.gz BJGFUZSIXBIKMA-SCTDSRPQSA-N 2 1 303.494 2.825 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000353568726 428599719 /nfs/dbraw/zinc/59/97/19/428599719.db2.gz BJGFUZSIXBIKMA-SCTDSRPQSA-N 2 1 303.494 2.825 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC2)C1 ZINC000358380095 428599970 /nfs/dbraw/zinc/59/99/70/428599970.db2.gz WPGOVEGUVINGJI-YUELXQCFSA-N 2 1 322.415 2.932 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@H](c1ccc(C)cc1)[NH+]1CCCC1 ZINC000358590918 428608350 /nfs/dbraw/zinc/60/83/50/428608350.db2.gz MPDYHYMVCFXIBV-GOSISDBHSA-N 2 1 317.477 2.590 20 0 DFADMP c1cc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCC2 ZINC000373603310 428617876 /nfs/dbraw/zinc/61/78/76/428617876.db2.gz IUVMYYYWWNXFRJ-MSOLQXFVSA-N 2 1 300.446 2.771 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)OCCc3sccc32)[C@@H](C)C1 ZINC000353608196 428621216 /nfs/dbraw/zinc/62/12/16/428621216.db2.gz HTUINUCRAFIOLQ-QRTARXTBSA-N 2 1 308.491 2.856 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2C[N@H+](C(C)C)C[C@@H]2C)c1 ZINC000415908494 428622151 /nfs/dbraw/zinc/62/21/51/428622151.db2.gz PQXDELFCXQDRMX-YOEHRIQHSA-N 2 1 318.465 2.646 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353617566 428622178 /nfs/dbraw/zinc/62/21/78/428622178.db2.gz DJQLTAUHOVRZMF-HCXYKTFWSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353617566 428622186 /nfs/dbraw/zinc/62/21/86/428622186.db2.gz DJQLTAUHOVRZMF-HCXYKTFWSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353617566 428622193 /nfs/dbraw/zinc/62/21/93/428622193.db2.gz DJQLTAUHOVRZMF-HCXYKTFWSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353617566 428622197 /nfs/dbraw/zinc/62/21/97/428622197.db2.gz DJQLTAUHOVRZMF-HCXYKTFWSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000353617566 428622202 /nfs/dbraw/zinc/62/22/02/428622202.db2.gz DJQLTAUHOVRZMF-HCXYKTFWSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353617566 428622205 /nfs/dbraw/zinc/62/22/05/428622205.db2.gz DJQLTAUHOVRZMF-HCXYKTFWSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)C1 ZINC000353617566 428622209 /nfs/dbraw/zinc/62/22/09/428622209.db2.gz DJQLTAUHOVRZMF-HCXYKTFWSA-N 3 1 307.526 2.817 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000415903912 428622362 /nfs/dbraw/zinc/62/23/62/428622362.db2.gz RCASIHFFWXOSAN-CABCVRRESA-N 2 1 318.465 2.648 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3[nH]cnc3C2)CC1 ZINC000353614481 428622373 /nfs/dbraw/zinc/62/23/73/428622373.db2.gz XLXUPGOFNAIDFU-ALKREAHSSA-N 2 1 316.493 2.900 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000415903918 428622471 /nfs/dbraw/zinc/62/24/71/428622471.db2.gz RCASIHFFWXOSAN-HUUCEWRRSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000415902972 428623039 /nfs/dbraw/zinc/62/30/39/428623039.db2.gz PTTFPOLRMUWHNY-LSDHHAIUSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000415916235 428625128 /nfs/dbraw/zinc/62/51/28/428625128.db2.gz AVMHYGVSKVVICX-UHFFFAOYSA-N 2 1 318.465 2.650 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C2=CC[N@@H+](C)CC2)c1 ZINC000415925264 428627901 /nfs/dbraw/zinc/62/79/01/428627901.db2.gz XJRIMGCPDIGJJN-CQSZACIVSA-N 2 1 316.449 2.568 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000344302009 428629158 /nfs/dbraw/zinc/62/91/58/428629158.db2.gz VKJGFHHWQLKSBM-XMTFNYHQSA-N 2 1 306.494 2.902 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2cccc(C[NH2+]C)c2)C1 ZINC000415943415 428633553 /nfs/dbraw/zinc/63/35/53/428633553.db2.gz LWRUNRROOLUUBK-MRXNPFEDSA-N 2 1 318.465 2.602 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415939039 428633764 /nfs/dbraw/zinc/63/37/64/428633764.db2.gz ZRZOEGAJLNWHSV-AWEZNQCLSA-N 2 1 306.454 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000358722944 428640925 /nfs/dbraw/zinc/64/09/25/428640925.db2.gz LKWZEJBIGSLATK-JYBIWHBTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358722944 428640930 /nfs/dbraw/zinc/64/09/30/428640930.db2.gz LKWZEJBIGSLATK-JYBIWHBTSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358722944 428640932 /nfs/dbraw/zinc/64/09/32/428640932.db2.gz LKWZEJBIGSLATK-JYBIWHBTSA-N 3 1 315.505 2.969 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000415983474 428641540 /nfs/dbraw/zinc/64/15/40/428641540.db2.gz ZNBFHLKOYIAGPF-QGZVFWFLSA-N 2 1 316.449 2.531 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCN2CCC2)CC1 ZINC000353646692 428635479 /nfs/dbraw/zinc/63/54/79/428635479.db2.gz QRGBWDJHLQDZHY-UHFFFAOYSA-N 2 1 301.478 2.725 20 0 DFADMP CCOC(=O)c1coc(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000353644616 428636414 /nfs/dbraw/zinc/63/64/14/428636414.db2.gz AIJQUJHAVCYYMF-HNNXBMFYSA-N 2 1 320.433 2.620 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000373564305 274102743 /nfs/dbraw/zinc/10/27/43/274102743.db2.gz XZFPVLIBLSPEES-YQQAZPJKSA-N 2 1 316.445 2.908 20 0 DFADMP Cn1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c2ccccc21 ZINC000353676371 428651215 /nfs/dbraw/zinc/65/12/15/428651215.db2.gz XQOWQKFPOSAIIG-QILLFSRXSA-N 2 1 312.461 2.578 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCn2ccnc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348184472 428645512 /nfs/dbraw/zinc/64/55/12/428645512.db2.gz GSGRSMYEERAZHC-YTQUADARSA-N 2 1 324.472 2.698 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000268855218 274136639 /nfs/dbraw/zinc/13/66/39/274136639.db2.gz QPYPLMAFLIDSLF-QFBILLFUSA-N 2 1 318.461 2.509 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184366 428652714 /nfs/dbraw/zinc/65/27/14/428652714.db2.gz IGTGUKRAZQTNOG-YJBOKZPZSA-N 2 1 302.462 2.969 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184366 428652720 /nfs/dbraw/zinc/65/27/20/428652720.db2.gz IGTGUKRAZQTNOG-YJBOKZPZSA-N 2 1 302.462 2.969 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184366 428652728 /nfs/dbraw/zinc/65/27/28/428652728.db2.gz IGTGUKRAZQTNOG-YJBOKZPZSA-N 2 1 302.462 2.969 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N(C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000373998263 428660737 /nfs/dbraw/zinc/66/07/37/428660737.db2.gz LPOXTSXSMXGISM-UHFFFAOYSA-N 2 1 323.525 2.828 20 0 DFADMP CC1CCC([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000344508839 428670376 /nfs/dbraw/zinc/67/03/76/428670376.db2.gz FJLOWZCPTDKNPK-KVZIAJEVSA-N 2 1 302.462 2.792 20 0 DFADMP CC1CCC([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000344508839 428670378 /nfs/dbraw/zinc/67/03/78/428670378.db2.gz FJLOWZCPTDKNPK-KVZIAJEVSA-N 2 1 302.462 2.792 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](C/C=C/C[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348235606 428671253 /nfs/dbraw/zinc/67/12/53/428671253.db2.gz MDCGKDCUNDDIEV-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@]1(C)CCC[NH+](C/C=C/C[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348235606 428671256 /nfs/dbraw/zinc/67/12/56/428671256.db2.gz MDCGKDCUNDDIEV-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@]1(C)CCC[NH+](C/C=C/C[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348235606 428671259 /nfs/dbraw/zinc/67/12/59/428671259.db2.gz MDCGKDCUNDDIEV-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2cnc([C@H]3CCCO3)s2)CC[N@H+]1C ZINC000353756581 428699747 /nfs/dbraw/zinc/69/97/47/428699747.db2.gz WDZXKVSIAGZQRH-VNHYZAJKSA-N 2 1 309.479 2.909 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000353754809 428700286 /nfs/dbraw/zinc/70/02/86/428700286.db2.gz QLOMBENTYNAOQK-KDOFPFPSSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000353754809 428700290 /nfs/dbraw/zinc/70/02/90/428700290.db2.gz QLOMBENTYNAOQK-KDOFPFPSSA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(NC(C)=O)cc2)C[C@H]1C ZINC000353754809 428700295 /nfs/dbraw/zinc/70/02/95/428700295.db2.gz QLOMBENTYNAOQK-KDOFPFPSSA-N 2 1 303.450 2.950 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCC[NH+](C)C1CCCCC1 ZINC000344805174 428708212 /nfs/dbraw/zinc/70/82/12/428708212.db2.gz DKQSDAIRQBOWSJ-IYBDPMFKSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000344805174 428708217 /nfs/dbraw/zinc/70/82/17/428708217.db2.gz DKQSDAIRQBOWSJ-IYBDPMFKSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000344805174 428708222 /nfs/dbraw/zinc/70/82/22/428708222.db2.gz DKQSDAIRQBOWSJ-IYBDPMFKSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000374597119 428708566 /nfs/dbraw/zinc/70/85/66/428708566.db2.gz RUKSAZAMPDYYFK-INIZCTEOSA-N 2 1 319.468 2.734 20 0 DFADMP COCCc1nc(C)c([C@H](C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000362343963 428711558 /nfs/dbraw/zinc/71/15/58/428711558.db2.gz XFCXPTFHPUJMNS-QEJZJMRPSA-N 2 1 323.506 2.918 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000362343963 428711563 /nfs/dbraw/zinc/71/15/63/428711563.db2.gz XFCXPTFHPUJMNS-QEJZJMRPSA-N 2 1 323.506 2.918 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000362343963 428711565 /nfs/dbraw/zinc/71/15/65/428711565.db2.gz XFCXPTFHPUJMNS-QEJZJMRPSA-N 2 1 323.506 2.918 20 0 DFADMP C[C@@H]1C[N@@H+](CCOC2CC[NH+](CC3CCCC3)CC2)C[C@H](C)O1 ZINC000358872751 428713248 /nfs/dbraw/zinc/71/32/48/428713248.db2.gz MXTXGCALBHOSIQ-CALCHBBNSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1C[N@H+](CCOC2CC[NH+](CC3CCCC3)CC2)C[C@H](C)O1 ZINC000358872751 428713253 /nfs/dbraw/zinc/71/32/53/428713253.db2.gz MXTXGCALBHOSIQ-CALCHBBNSA-N 2 1 324.509 2.767 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCCCC[NH+](C)C)cc1)C1CC1 ZINC000353820156 428732584 /nfs/dbraw/zinc/73/25/84/428732584.db2.gz YCBLTGPRWLDFLJ-UHFFFAOYSA-N 2 1 317.477 2.743 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@H]1C[C@@H]1c1ccccc1 ZINC000348263570 428684734 /nfs/dbraw/zinc/68/47/34/428684734.db2.gz LSARHOULRKMHSQ-CEXWTWQISA-N 2 1 302.462 2.617 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1C[C@@H]1c1ccccc1 ZINC000348263572 428685286 /nfs/dbraw/zinc/68/52/86/428685286.db2.gz LSARHOULRKMHSQ-GBESFXJTSA-N 2 1 302.462 2.617 20 0 DFADMP C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C[C@@H]1n1ccnc1 ZINC000348269667 428686831 /nfs/dbraw/zinc/68/68/31/428686831.db2.gz VIRHPBXPZIOYAE-QAPCUYQASA-N 2 1 311.429 2.944 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275499 428688110 /nfs/dbraw/zinc/68/81/10/428688110.db2.gz CIPGQIGWLHFEFE-MAUKXSAKSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275499 428688116 /nfs/dbraw/zinc/68/81/16/428688116.db2.gz CIPGQIGWLHFEFE-MAUKXSAKSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275499 428688121 /nfs/dbraw/zinc/68/81/21/428688121.db2.gz CIPGQIGWLHFEFE-MAUKXSAKSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275499 428688125 /nfs/dbraw/zinc/68/81/25/428688125.db2.gz CIPGQIGWLHFEFE-MAUKXSAKSA-N 2 1 313.449 2.792 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000353743121 428688448 /nfs/dbraw/zinc/68/84/48/428688448.db2.gz GZWJBWKTOMLKCS-JYJNAYRXSA-N 2 1 323.868 2.719 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000353743121 428688451 /nfs/dbraw/zinc/68/84/51/428688451.db2.gz GZWJBWKTOMLKCS-JYJNAYRXSA-N 2 1 323.868 2.719 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)cc1 ZINC000344643688 428688720 /nfs/dbraw/zinc/68/87/20/428688720.db2.gz NBAOJGVWLPEKEM-KRWDZBQOSA-N 2 1 317.477 2.598 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416201492 428690323 /nfs/dbraw/zinc/69/03/23/428690323.db2.gz GEPORBPTIOULJP-QZTJIDSGSA-N 2 1 317.477 2.668 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416233977 428694828 /nfs/dbraw/zinc/69/48/28/428694828.db2.gz LJFYASYQIVXQMW-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000353899968 428770735 /nfs/dbraw/zinc/77/07/35/428770735.db2.gz IJNCDKYYLJNEKG-ROUUACIJSA-N 2 1 321.509 2.728 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000345189369 428793123 /nfs/dbraw/zinc/79/31/23/428793123.db2.gz MNMPIILJDFLQTF-KRWDZBQOSA-N 2 1 311.514 2.879 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000345189369 428793126 /nfs/dbraw/zinc/79/31/26/428793126.db2.gz MNMPIILJDFLQTF-KRWDZBQOSA-N 2 1 311.514 2.879 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN(C)C[C@H]3CCC[C@@H]3O)sc2C1 ZINC000374907214 428780187 /nfs/dbraw/zinc/78/01/87/428780187.db2.gz DTYZUQNSPXLAJZ-HIFRSBDPSA-N 2 1 323.506 2.502 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN(C)C[C@@H]3CCC[C@@H]3O)sc2C1 ZINC000374907216 428780866 /nfs/dbraw/zinc/78/08/66/428780866.db2.gz DTYZUQNSPXLAJZ-ZFWWWQNUSA-N 2 1 323.506 2.502 20 0 DFADMP C[C@H](CC[NH+]1CCO[C@@H](C)[C@H]1C)CC[N@H+]1CCO[C@H](C)[C@@H]1C ZINC000411322419 428780894 /nfs/dbraw/zinc/78/08/94/428780894.db2.gz INSWEJFGVGYVOK-AJNQNCSDSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1CCO[C@H](C)[C@@H]1C)CC[N@@H+]1CCO[C@@H](C)[C@H]1C ZINC000411322419 428780899 /nfs/dbraw/zinc/78/08/99/428780899.db2.gz INSWEJFGVGYVOK-AJNQNCSDSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@@H](CC[NH+]1CCO[C@H](C)[C@@H]1C)CC[N@H+]1CCO[C@@H](C)[C@H]1C ZINC000411322419 428780903 /nfs/dbraw/zinc/78/09/03/428780903.db2.gz INSWEJFGVGYVOK-AJNQNCSDSA-N 2 1 312.498 2.621 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H](CC)[NH+]2CCCC2)CC1 ZINC000353930211 428782763 /nfs/dbraw/zinc/78/27/63/428782763.db2.gz FXGMTNDFAVYZEO-UPTPFMHGSA-N 2 1 310.482 2.962 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)ccc1F ZINC000348424114 428740479 /nfs/dbraw/zinc/74/04/79/428740479.db2.gz QFAZKBFMSQEOMV-LSDHHAIUSA-N 2 1 324.440 2.986 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000353954187 428792183 /nfs/dbraw/zinc/79/21/83/428792183.db2.gz JGQCDHNAYPULKV-QBPKDAKJSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C(=O)OCC)[C@H](C)C1 ZINC000353954187 428792188 /nfs/dbraw/zinc/79/21/88/428792188.db2.gz JGQCDHNAYPULKV-QBPKDAKJSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H](CC[NH+]1C[C@H](C)O[C@@H](C)C1)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000411127033 428742457 /nfs/dbraw/zinc/74/24/57/428742457.db2.gz PGQHSZITKJQJJM-JCECYMMASA-N 2 1 312.498 2.621 20 0 DFADMP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353846286 428744401 /nfs/dbraw/zinc/74/44/01/428744401.db2.gz ABIMMCQKHKTMJJ-KFKAGJAMSA-N 2 1 302.462 2.505 20 0 DFADMP CC[C@H]1C[NH+](CCC(C)CC[N@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000411162161 428751271 /nfs/dbraw/zinc/75/12/71/428751271.db2.gz GKKWYWYECUNNTF-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000374969938 428795299 /nfs/dbraw/zinc/79/52/99/428795299.db2.gz GFAQOANFRLFBQD-PXNSSMCTSA-N 2 1 316.489 2.929 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@H](O)CCc2ccccc2)CC1 ZINC000374969938 428795304 /nfs/dbraw/zinc/79/53/04/428795304.db2.gz GFAQOANFRLFBQD-PXNSSMCTSA-N 2 1 316.489 2.929 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000374969936 428795957 /nfs/dbraw/zinc/79/59/57/428795957.db2.gz GFAQOANFRLFBQD-FXAWDEMLSA-N 2 1 316.489 2.929 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000374969936 428795960 /nfs/dbraw/zinc/79/59/60/428795960.db2.gz GFAQOANFRLFBQD-FXAWDEMLSA-N 2 1 316.489 2.929 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000353986495 428803998 /nfs/dbraw/zinc/80/39/98/428803998.db2.gz JHXKYSVMSIVNQI-LJQANCHMSA-N 2 1 316.493 2.510 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CNC1CC[NH+](Cc2cccnc2)CC1 ZINC000353986495 428804005 /nfs/dbraw/zinc/80/40/05/428804005.db2.gz JHXKYSVMSIVNQI-LJQANCHMSA-N 2 1 316.493 2.510 20 0 DFADMP C[C@@H](C[S@](C)=O)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411510692 428807754 /nfs/dbraw/zinc/80/77/54/428807754.db2.gz GYSNMSQBHIFNFW-AOMKIAJQSA-N 2 1 322.518 2.871 20 0 DFADMP Cc1cc2[nH]c(C[NH2+]C[C@H](O)C[NH+]3CCCCC3)cc2c(C)c1 ZINC000359085404 428810047 /nfs/dbraw/zinc/81/00/47/428810047.db2.gz SZSFQAZMVCDHIZ-KRWDZBQOSA-N 2 1 315.461 2.721 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000359089305 428811714 /nfs/dbraw/zinc/81/17/14/428811714.db2.gz YPLXNKATQQYDLA-BZSNNMDCSA-N 2 1 321.509 2.511 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000359089305 428811718 /nfs/dbraw/zinc/81/17/18/428811718.db2.gz YPLXNKATQQYDLA-BZSNNMDCSA-N 2 1 321.509 2.511 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(OC(F)F)c1 ZINC000362951134 428818210 /nfs/dbraw/zinc/81/82/10/428818210.db2.gz CQNCFCWSACHDIN-GFCCVEGCSA-N 2 1 323.343 2.598 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@@H+](CCC3(O)CCC3)C1)CCCC2 ZINC000411578554 428818656 /nfs/dbraw/zinc/81/86/56/428818656.db2.gz SMAKMGQSBNBLBB-HNNXBMFYSA-N 2 1 303.450 2.622 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCC3(O)CCC3)C1)CCCC2 ZINC000411578554 428818663 /nfs/dbraw/zinc/81/86/63/428818663.db2.gz SMAKMGQSBNBLBB-HNNXBMFYSA-N 2 1 303.450 2.622 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCC3(O)CCC3)C1)CCCC2 ZINC000411578554 428818669 /nfs/dbraw/zinc/81/86/69/428818669.db2.gz SMAKMGQSBNBLBB-HNNXBMFYSA-N 2 1 303.450 2.622 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@H]1CCCC[C@H]1C ZINC000411619485 428824421 /nfs/dbraw/zinc/82/44/21/428824421.db2.gz XKMFJZRAGXTVOQ-AEFFLSMTSA-N 2 1 323.525 2.876 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2c[nH]cn2)cc1 ZINC000359137261 428833709 /nfs/dbraw/zinc/83/37/09/428833709.db2.gz HMSBOCOFWZSCKX-UHFFFAOYSA-N 2 1 300.406 2.572 20 0 DFADMP CCC[N@H+](CC)Cc1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000359137261 428833717 /nfs/dbraw/zinc/83/37/17/428833717.db2.gz HMSBOCOFWZSCKX-UHFFFAOYSA-N 2 1 300.406 2.572 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCc2cnc[nH]2)cc1 ZINC000359137261 428833723 /nfs/dbraw/zinc/83/37/23/428833723.db2.gz HMSBOCOFWZSCKX-UHFFFAOYSA-N 2 1 300.406 2.572 20 0 DFADMP CC[N@@H+](CCOCCO)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411685822 428842043 /nfs/dbraw/zinc/84/20/43/428842043.db2.gz BQKJNVMUFAYHDK-UHFFFAOYSA-N 2 1 320.477 2.503 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(F)(c2cccnc2)CC1 ZINC000375281998 428842830 /nfs/dbraw/zinc/84/28/30/428842830.db2.gz PWNAJHSINFBTIA-UHFFFAOYSA-N 2 1 302.397 2.937 20 0 DFADMP CC[N@@H+](CCOCCO)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411700477 428843544 /nfs/dbraw/zinc/84/35/44/428843544.db2.gz ZVENCIYRMDVFHV-UHFFFAOYSA-N 2 1 320.477 2.503 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000417044287 428844459 /nfs/dbraw/zinc/84/44/59/428844459.db2.gz XVNTVTIMXIUZDZ-WBVHZDCISA-N 2 1 324.513 2.552 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)CCC2CC[NH2+]CC2)n1 ZINC000359184951 428857268 /nfs/dbraw/zinc/85/72/68/428857268.db2.gz DTWODBZAXRHJGW-CQSZACIVSA-N 2 1 324.469 2.625 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)CCC2CC[NH2+]CC2)n1 ZINC000359184951 428857273 /nfs/dbraw/zinc/85/72/73/428857273.db2.gz DTWODBZAXRHJGW-CQSZACIVSA-N 2 1 324.469 2.625 20 0 DFADMP O[C@@]1(C(F)F)CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411786645 428858437 /nfs/dbraw/zinc/85/84/37/428858437.db2.gz DBWRRORHENQWQX-SFHVURJKSA-N 2 1 324.415 2.874 20 0 DFADMP CC(C)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cn1 ZINC000354095192 428860373 /nfs/dbraw/zinc/86/03/73/428860373.db2.gz YXNLJOSJYZRIAX-WMZOPIPTSA-N 2 1 323.456 2.744 20 0 DFADMP Cc1cccc2nc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@H]4C3)cn21 ZINC000363118061 428860980 /nfs/dbraw/zinc/86/09/80/428860980.db2.gz QYXWVYWDNIDXSR-BPQIPLTHSA-N 2 1 310.445 2.559 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000359196585 428862145 /nfs/dbraw/zinc/86/21/45/428862145.db2.gz URNJOFWNQYGLGW-MRXNPFEDSA-N 2 1 304.434 2.538 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(OC)c(OC)c1 ZINC000359199767 428862546 /nfs/dbraw/zinc/86/25/46/428862546.db2.gz FIGNBVSUBNOSGG-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1CC[NH2+]CC1 ZINC000359209646 428866155 /nfs/dbraw/zinc/86/61/55/428866155.db2.gz DEHIUZRAACJKSY-LJQANCHMSA-N 3 1 307.526 2.964 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359208403 428867874 /nfs/dbraw/zinc/86/78/74/428867874.db2.gz JISRPWAJYFRUBX-HNNXBMFYSA-N 2 1 313.449 2.650 20 0 DFADMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)Cc2ccccc2)c1 ZINC000348898086 428872549 /nfs/dbraw/zinc/87/25/49/428872549.db2.gz WMWSWWBGHQQHKN-UHFFFAOYSA-N 2 1 313.445 2.962 20 0 DFADMP C[C@H](CCCC[NH3+])NC(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1 ZINC000418133817 428886172 /nfs/dbraw/zinc/88/61/72/428886172.db2.gz LJISZFKOPDNLSP-WBVHZDCISA-N 2 1 324.513 2.600 20 0 DFADMP CCN(CC)c1ncc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000354164689 428895252 /nfs/dbraw/zinc/89/52/52/428895252.db2.gz BKWQVTAFPYKXQH-QGZVFWFLSA-N 2 1 322.522 2.907 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375507452 428903139 /nfs/dbraw/zinc/90/31/39/428903139.db2.gz GZXSHSYWVYTGIK-UHFFFAOYSA-N 2 1 304.434 2.764 20 0 DFADMP c1ccc(-c2nc3ccccn3c2C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000359288488 428904613 /nfs/dbraw/zinc/90/46/13/428904613.db2.gz ZDJOZRPAODSMTL-IRXDYDNUSA-N 2 1 318.424 2.653 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(C)(C(=O)OCC)CC2)C1 ZINC000354209544 428918715 /nfs/dbraw/zinc/91/87/15/428918715.db2.gz IYBCFJPIPIWBAB-KLHKWILBSA-N 2 1 310.482 2.820 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cn1 ZINC000349126584 428923818 /nfs/dbraw/zinc/92/38/18/428923818.db2.gz GUQOTGJTJBIKNV-IBGZPJMESA-N 2 1 301.478 2.986 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119614 428924212 /nfs/dbraw/zinc/92/42/12/428924212.db2.gz QUTTXGZZOWMZOA-QZTJIDSGSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226432 428925372 /nfs/dbraw/zinc/92/53/72/428925372.db2.gz WDCNXBVJWAEHNP-RHSMWYFYSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226432 428925379 /nfs/dbraw/zinc/92/53/79/428925379.db2.gz WDCNXBVJWAEHNP-RHSMWYFYSA-N 2 1 321.440 2.959 20 0 DFADMP CCN(C(=O)CN(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1)C1CCCCC1 ZINC000354223987 428926919 /nfs/dbraw/zinc/92/69/19/428926919.db2.gz MMTFNMDPUFRWDQ-WMZOPIPTSA-N 2 1 323.525 2.972 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]1[C@H]1CCCN1C ZINC000363504370 428931084 /nfs/dbraw/zinc/93/10/84/428931084.db2.gz PRVJJAQOSNGXBB-MSOLQXFVSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1ccccc1NC(=O)CCN1CCC[C@H]1[C@H]1CCC[N@H+]1C ZINC000363504370 428931091 /nfs/dbraw/zinc/93/10/91/428931091.db2.gz PRVJJAQOSNGXBB-MSOLQXFVSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1ccccc1NC(=O)CCN1CCC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000363504370 428931096 /nfs/dbraw/zinc/93/10/96/428931096.db2.gz PRVJJAQOSNGXBB-MSOLQXFVSA-N 2 1 315.461 2.882 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c(C)n2n1 ZINC000363532332 428937072 /nfs/dbraw/zinc/93/70/72/428937072.db2.gz AHAZQICIECHALQ-IMJJTQAJSA-N 2 1 313.449 2.624 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c(C)n2n1 ZINC000363532332 428937076 /nfs/dbraw/zinc/93/70/76/428937076.db2.gz AHAZQICIECHALQ-IMJJTQAJSA-N 2 1 313.449 2.624 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000354273163 428948521 /nfs/dbraw/zinc/94/85/21/428948521.db2.gz RVHJHDJMVSYPGY-ROUUACIJSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000349360865 428972055 /nfs/dbraw/zinc/97/20/55/428972055.db2.gz AYZLCGKHYWZHJV-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000349360865 428972060 /nfs/dbraw/zinc/97/20/60/428972060.db2.gz AYZLCGKHYWZHJV-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1O ZINC000349360865 428972066 /nfs/dbraw/zinc/97/20/66/428972066.db2.gz AYZLCGKHYWZHJV-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1O ZINC000349360865 428972070 /nfs/dbraw/zinc/97/20/70/428972070.db2.gz AYZLCGKHYWZHJV-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@H]2[C@H]2CCC[N@@H+]2C)c1C ZINC000363632981 428957298 /nfs/dbraw/zinc/95/72/98/428957298.db2.gz LYBVKLDQDFIQJK-SJORKVTESA-N 2 1 303.450 2.766 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000363632981 428957306 /nfs/dbraw/zinc/95/73/06/428957306.db2.gz LYBVKLDQDFIQJK-SJORKVTESA-N 2 1 303.450 2.766 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)Cc3ccccn3)CC2)nc(C)[nH+]1 ZINC000363635583 428959432 /nfs/dbraw/zinc/95/94/32/428959432.db2.gz IRGWUZICSFXQLJ-UHFFFAOYSA-N 2 1 311.433 2.589 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)Cc3ccccn3)CC2)nc(C)[nH+]1 ZINC000363635583 428959438 /nfs/dbraw/zinc/95/94/38/428959438.db2.gz IRGWUZICSFXQLJ-UHFFFAOYSA-N 2 1 311.433 2.589 20 0 DFADMP COc1ccc([C@H]2[C@@H](C[NH2+]CC3(C)COC3)CCC[N@@H+]2C)cc1 ZINC000375740224 428959732 /nfs/dbraw/zinc/95/97/32/428959732.db2.gz FBADFPBDNUWCDV-AEFFLSMTSA-N 2 1 318.461 2.704 20 0 DFADMP COc1ccc([C@H]2[C@@H](C[NH2+]CC3(C)COC3)CCC[N@H+]2C)cc1 ZINC000375740224 428959735 /nfs/dbraw/zinc/95/97/35/428959735.db2.gz FBADFPBDNUWCDV-AEFFLSMTSA-N 2 1 318.461 2.704 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@H+](C)[C@H]1c1cccs1 ZINC000375751145 428961085 /nfs/dbraw/zinc/96/10/85/428961085.db2.gz QHVCWPLQWNTOMP-XJKSGUPXSA-N 2 1 304.463 2.573 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1 ZINC000375751145 428961089 /nfs/dbraw/zinc/96/10/89/428961089.db2.gz QHVCWPLQWNTOMP-XJKSGUPXSA-N 2 1 304.463 2.573 20 0 DFADMP COc1cc(C)c(C[N@H+](C)CCCn2cc[nH+]c2C)c(C)n1 ZINC000349344550 428965964 /nfs/dbraw/zinc/96/59/64/428965964.db2.gz HNWGYPHYBXAHBQ-UHFFFAOYSA-N 2 1 302.422 2.734 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)CCCn2cc[nH+]c2C)c(C)n1 ZINC000349344550 428965968 /nfs/dbraw/zinc/96/59/68/428965968.db2.gz HNWGYPHYBXAHBQ-UHFFFAOYSA-N 2 1 302.422 2.734 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000349344631 428966282 /nfs/dbraw/zinc/96/62/82/428966282.db2.gz IABQIBMLRSONQU-UHFFFAOYSA-N 2 1 321.856 2.694 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000349344631 428966287 /nfs/dbraw/zinc/96/62/87/428966287.db2.gz IABQIBMLRSONQU-UHFFFAOYSA-N 2 1 321.856 2.694 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000349357088 428968578 /nfs/dbraw/zinc/96/85/78/428968578.db2.gz SMEJVCHHPMRSDO-SUMWQHHRSA-N 2 1 303.425 2.790 20 0 DFADMP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423536334 428969335 /nfs/dbraw/zinc/96/93/35/428969335.db2.gz HITYBKZDDATUMD-FXAWDEMLSA-N 3 1 313.489 2.796 20 0 DFADMP C[C@H]([NH2+]CCC1=CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423536334 428969339 /nfs/dbraw/zinc/96/93/39/428969339.db2.gz HITYBKZDDATUMD-FXAWDEMLSA-N 2 1 313.489 2.796 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCCC[NH2+]C2CC2)C3)cc1 ZINC000423550431 428972480 /nfs/dbraw/zinc/97/24/80/428972480.db2.gz ILGRTLZBFQXHCD-OWZKRDHZSA-N 2 1 313.489 2.914 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@H]1C ZINC000354327356 428970697 /nfs/dbraw/zinc/97/06/97/428970697.db2.gz GUTGRZGKNMFCRG-QAETUUGQSA-N 2 1 310.482 2.674 20 0 DFADMP CC1(C)CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)C1 ZINC000433244382 429015432 /nfs/dbraw/zinc/01/54/32/429015432.db2.gz XRVLMUXXLGYEET-GOSISDBHSA-N 2 1 302.462 2.922 20 0 DFADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000433271400 429018276 /nfs/dbraw/zinc/01/82/76/429018276.db2.gz NGXATHPCTYNIRG-FUHWJXTLSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)C1 ZINC000433271400 429018284 /nfs/dbraw/zinc/01/82/84/429018284.db2.gz NGXATHPCTYNIRG-FUHWJXTLSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)Nc1cccc2c1C[NH2+]CC2 ZINC000375961050 429028776 /nfs/dbraw/zinc/02/87/76/429028776.db2.gz ACRSVDLFHDBFBZ-UHFFFAOYSA-N 2 1 312.417 2.681 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@H]1CCO[C@H]1c1ccnn1C ZINC000349386334 428978714 /nfs/dbraw/zinc/97/87/14/428978714.db2.gz RSQOVUSATLVZND-SJLPKXTDSA-N 2 1 322.497 2.552 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)Cc1ccc(O)cc1 ZINC000349383352 428979749 /nfs/dbraw/zinc/97/97/49/428979749.db2.gz MHVCHTZBPNMBKN-UHFFFAOYSA-N 2 1 308.385 2.913 20 0 DFADMP CCCC[N@@H+](CCCO)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349409620 428985354 /nfs/dbraw/zinc/98/53/54/428985354.db2.gz RVZUTCULGNMZCZ-UHFFFAOYSA-N 2 1 302.422 2.560 20 0 DFADMP CC[NH+](CC)CCC[N@H+](CC)Cc1ccc2c(c1)nnn2C ZINC000349408369 428986412 /nfs/dbraw/zinc/98/64/12/428986412.db2.gz PTKOKSONFGZKIJ-UHFFFAOYSA-N 2 1 303.454 2.522 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccc2c(c1)nnn2C ZINC000349408369 428986418 /nfs/dbraw/zinc/98/64/18/428986418.db2.gz PTKOKSONFGZKIJ-UHFFFAOYSA-N 2 1 303.454 2.522 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCN(c2ccccc2)C1 ZINC000433093608 428992070 /nfs/dbraw/zinc/99/20/70/428992070.db2.gz VALZSWNUOWAJIH-LMMKCTJWSA-N 2 1 301.478 2.833 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC(c2ccccc2)C1 ZINC000433085626 428993219 /nfs/dbraw/zinc/99/32/19/428993219.db2.gz WZCGYEUPSRNUCK-KAXARAQCSA-N 2 1 314.473 2.759 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433085246 428993337 /nfs/dbraw/zinc/99/33/37/428993337.db2.gz UDMCLXLHUQFCRH-UXATZLLSSA-N 2 1 316.489 2.861 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000433084364 428993938 /nfs/dbraw/zinc/99/39/38/428993938.db2.gz SJUGDHXQVLETJS-GJZGRUSLSA-N 2 1 300.512 2.609 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000375845505 428994369 /nfs/dbraw/zinc/99/43/69/428994369.db2.gz YLPZWOCORPHCBO-CHWSQXEVSA-N 2 1 301.390 2.566 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(SC)CC2)[C@@H](C)C1 ZINC000433084366 428994391 /nfs/dbraw/zinc/99/43/91/428994391.db2.gz SJUGDHXQVLETJS-LSDHHAIUSA-N 2 1 300.512 2.609 20 0 DFADMP CC[C@H](C(=O)NCCC[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000423696642 428997201 /nfs/dbraw/zinc/99/72/01/428997201.db2.gz IHQCRGTVSQPSRY-QZTJIDSGSA-N 2 1 317.477 2.545 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CC3(O)CCCCC3)sc2C1 ZINC000375867050 429000915 /nfs/dbraw/zinc/00/09/15/429000915.db2.gz CDGNGVKUSRGSIZ-UHFFFAOYSA-N 2 1 323.506 2.694 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CC3(O)CCCCC3)sc2C1 ZINC000375867050 429000918 /nfs/dbraw/zinc/00/09/18/429000918.db2.gz CDGNGVKUSRGSIZ-UHFFFAOYSA-N 2 1 323.506 2.694 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCc2ccc3c(c2)CCO3)[C@@H]2CCC[C@H]21 ZINC000375859860 429002261 /nfs/dbraw/zinc/00/22/61/429002261.db2.gz FTGAVHVSFNHVTA-OKZBNKHCSA-N 2 1 300.446 2.626 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000423725422 429005482 /nfs/dbraw/zinc/00/54/82/429005482.db2.gz IWIMFHYVGLJOMF-BEFAXECRSA-N 2 1 323.440 2.835 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000423725422 429005486 /nfs/dbraw/zinc/00/54/86/429005486.db2.gz IWIMFHYVGLJOMF-BEFAXECRSA-N 2 1 323.440 2.835 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000375892374 429008631 /nfs/dbraw/zinc/00/86/31/429008631.db2.gz YNGJFJLMGHNHQG-FPMFFAJLSA-N 2 1 308.447 2.812 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000375892374 429008637 /nfs/dbraw/zinc/00/86/37/429008637.db2.gz YNGJFJLMGHNHQG-FPMFFAJLSA-N 2 1 308.447 2.812 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)cc1 ZINC000375891346 429008699 /nfs/dbraw/zinc/00/86/99/429008699.db2.gz QJVIJGFSQNNVRC-IBGZPJMESA-N 2 1 301.478 2.595 20 0 DFADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@H]12)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000433231947 429013704 /nfs/dbraw/zinc/01/37/04/429013704.db2.gz ZJSOEZXPMWTYQU-KURKYZTESA-N 2 1 319.493 2.527 20 0 DFADMP CC[C@@]1(C)CC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856993 429013653 /nfs/dbraw/zinc/01/36/53/429013653.db2.gz MWXCHMZIPZRCOL-HKUYNNGSSA-N 2 1 317.477 2.528 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000433231947 429013712 /nfs/dbraw/zinc/01/37/12/429013712.db2.gz ZJSOEZXPMWTYQU-KURKYZTESA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@H]12)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000433231947 429013716 /nfs/dbraw/zinc/01/37/16/429013716.db2.gz ZJSOEZXPMWTYQU-KURKYZTESA-N 2 1 319.493 2.527 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000375905722 429014060 /nfs/dbraw/zinc/01/40/60/429014060.db2.gz NSDMIGJLRWCGHY-IRXDYDNUSA-N 2 1 319.468 2.987 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H](C)[NH3+])cc1 ZINC000423448015 429089785 /nfs/dbraw/zinc/08/97/85/429089785.db2.gz POYPHQWWFQWSME-RDBSUJKOSA-N 2 1 306.454 2.947 20 0 DFADMP C[C@@H](CCC[NH3+])[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000423457378 429090350 /nfs/dbraw/zinc/09/03/50/429090350.db2.gz OWYYPSVVVJBPFL-IRXDYDNUSA-N 2 1 303.494 2.799 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+][C@@H](C)CCC[NH3+])CC1 ZINC000423457374 429090983 /nfs/dbraw/zinc/09/09/83/429090983.db2.gz OWYYPSVVVJBPFL-DLBZAZTESA-N 2 1 303.494 2.799 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@H](C)c1ccc(I)cc1 ZINC000423469281 429091853 /nfs/dbraw/zinc/09/18/53/429091853.db2.gz OTVDVGBLEYJNJB-BXKDBHETSA-N 2 1 318.202 2.679 20 0 DFADMP Fc1cc2c(c(F)c1F)[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CC2 ZINC000423474128 429094599 /nfs/dbraw/zinc/09/45/99/429094599.db2.gz JKKNJBPGENVBON-KOLCDFICSA-N 2 1 320.305 2.926 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@H+]2CCCC[C@@H]12)CC1CCCCC1 ZINC000424138174 429096219 /nfs/dbraw/zinc/09/62/19/429096219.db2.gz TXNONZIEKUGGIH-SQNIBIBYSA-N 2 1 321.509 2.807 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000423904479 429052551 /nfs/dbraw/zinc/05/25/51/429052551.db2.gz OHWCMTDKADHFAN-XYJFISCASA-N 2 1 317.477 2.531 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423275522 429056147 /nfs/dbraw/zinc/05/61/47/429056147.db2.gz NFPDLWNCQAKANW-IJXRJRJASA-N 3 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423275522 429056151 /nfs/dbraw/zinc/05/61/51/429056151.db2.gz NFPDLWNCQAKANW-IJXRJRJASA-N 2 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423275522 429056155 /nfs/dbraw/zinc/05/61/55/429056155.db2.gz NFPDLWNCQAKANW-IJXRJRJASA-N 2 1 315.505 2.732 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H]1C[C@H](OCC)[C@H]1Oc1ccccc1 ZINC000423297030 429058052 /nfs/dbraw/zinc/05/80/52/429058052.db2.gz IKVXYWIBVUHQHO-BGTYHANMSA-N 2 1 306.450 2.719 20 0 DFADMP C[C@@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423303453 429060913 /nfs/dbraw/zinc/06/09/13/429060913.db2.gz LONXKSJQZFIVHG-MRVPVSSYSA-N 2 1 322.302 2.759 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2CCCc3[nH+]ccn32)c(F)c1 ZINC000412566859 429061869 /nfs/dbraw/zinc/06/18/69/429061869.db2.gz BKBLWOJILRHHPK-OAHLLOKOSA-N 2 1 316.380 2.600 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@H]2CCCOC2)cc1 ZINC000423319771 429063906 /nfs/dbraw/zinc/06/39/06/429063906.db2.gz CZPKFLJPXMPVLH-XIVBQZFQSA-N 2 1 318.461 2.545 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423329575 429065504 /nfs/dbraw/zinc/06/55/04/429065504.db2.gz MVTSHFJSKMCJKC-QLFBSQMISA-N 2 1 303.450 2.557 20 0 DFADMP CC(C)[C@H](C(=O)NCc1ccccc1C[N@@H+](C)C(C)C)[C@H](C)[NH3+] ZINC000423337677 429067084 /nfs/dbraw/zinc/06/70/84/429067084.db2.gz RGUAQQZCGIKAMO-YJBOKZPZSA-N 2 1 319.493 2.762 20 0 DFADMP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337851 429068613 /nfs/dbraw/zinc/06/86/13/429068613.db2.gz UGPOWPZGJHSQOR-MJGOQNOKSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423337851 429068615 /nfs/dbraw/zinc/06/86/15/429068615.db2.gz UGPOWPZGJHSQOR-MJGOQNOKSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000423362604 429071553 /nfs/dbraw/zinc/07/15/53/429071553.db2.gz NCTQODJOEKQOAB-WBMJQRKESA-N 2 1 309.404 2.521 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCOCC2)cc1F ZINC000423361067 429071837 /nfs/dbraw/zinc/07/18/37/429071837.db2.gz GOGHITKGNUSSOO-KEYYUXOJSA-N 2 1 310.388 2.569 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423365774 429074295 /nfs/dbraw/zinc/07/42/95/429074295.db2.gz PSGASNYWUBHJFV-KFWWJZLASA-N 2 1 303.450 2.557 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@@H]1CCOC1 ZINC000423370202 429075078 /nfs/dbraw/zinc/07/50/78/429075078.db2.gz PDZAWKMRZSUPPT-KJWYOANISA-N 2 1 324.415 2.815 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@@H]1CCCOC1 ZINC000423369279 429075495 /nfs/dbraw/zinc/07/54/95/429075495.db2.gz OASCIALIURPWCI-WLLUSJSYSA-N 2 1 324.415 2.815 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)C1 ZINC000423380198 429075991 /nfs/dbraw/zinc/07/59/91/429075991.db2.gz HARKEFAYVSDYQY-VYDXJSESSA-N 2 1 304.482 2.814 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)cc1 ZINC000423385809 429078511 /nfs/dbraw/zinc/07/85/11/429078511.db2.gz RBZWRISTZZAMFN-AWEZNQCLSA-N 2 1 309.413 2.799 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)cc1 ZINC000423385809 429078513 /nfs/dbraw/zinc/07/85/13/429078513.db2.gz RBZWRISTZZAMFN-AWEZNQCLSA-N 2 1 309.413 2.799 20 0 DFADMP CC[NH2+][C@H](C)CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423393096 429078575 /nfs/dbraw/zinc/07/85/75/429078575.db2.gz YIUUJKIAKBFOKR-OQIJWPOYSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000423396346 429080207 /nfs/dbraw/zinc/08/02/07/429080207.db2.gz NRUWEMCKVNPNCH-ZAWLATJESA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000423396346 429080212 /nfs/dbraw/zinc/08/02/12/429080212.db2.gz NRUWEMCKVNPNCH-ZAWLATJESA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000423408376 429082229 /nfs/dbraw/zinc/08/22/29/429082229.db2.gz XJZXBPNWRIMWCO-JSNMRZPZSA-N 2 1 309.457 2.912 20 0 DFADMP c1ccc2c(c1)CCN[C@@H]2C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423421140 429085588 /nfs/dbraw/zinc/08/55/88/429085588.db2.gz JVBYOTVKHHWWJE-UAFMIMERSA-N 2 1 313.489 2.774 20 0 DFADMP Brc1ccc([C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)C2CC2)s1 ZINC000423429360 429087570 /nfs/dbraw/zinc/08/75/70/429087570.db2.gz KGJIYJCEVZAAHX-DTVLGXAZSA-N 2 1 313.264 2.769 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435438806 429142870 /nfs/dbraw/zinc/14/28/70/429142870.db2.gz RNOMDPJXOZXHJL-AWEZNQCLSA-N 2 1 302.447 2.779 20 0 DFADMP C[N@@H+](Cc1cnc(-c2ccncc2)s1)[C@H]1CCC[NH2+]CC1 ZINC000435438806 429142874 /nfs/dbraw/zinc/14/28/74/429142874.db2.gz RNOMDPJXOZXHJL-AWEZNQCLSA-N 2 1 302.447 2.779 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000424448467 429142937 /nfs/dbraw/zinc/14/29/37/429142937.db2.gz XZTWFNGIZFTVMP-ZFWWWQNUSA-N 2 1 318.465 2.696 20 0 DFADMP CSc1cc2c(cc1C[N@H+](C)[C@@H]1CCC[NH2+]CC1)OCCO2 ZINC000435439196 429142995 /nfs/dbraw/zinc/14/29/95/429142995.db2.gz TXGGLIQBEGWXRU-CQSZACIVSA-N 2 1 322.474 2.754 20 0 DFADMP CSc1cc2c(cc1C[N@@H+](C)[C@@H]1CCC[NH2+]CC1)OCCO2 ZINC000435439196 429143001 /nfs/dbraw/zinc/14/30/01/429143001.db2.gz TXGGLIQBEGWXRU-CQSZACIVSA-N 2 1 322.474 2.754 20 0 DFADMP COc1cc2[nH+]ccc(N3CC[N@H+]4CCC[C@H]4C3)c2cc1OC ZINC000413132232 429143745 /nfs/dbraw/zinc/14/37/45/429143745.db2.gz SXQBYPAWDOHRDS-ZDUSSCGKSA-N 2 1 313.401 2.536 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695430 429145898 /nfs/dbraw/zinc/14/58/98/429145898.db2.gz WLDHCYBIEBANDS-HUUCEWRRSA-N 2 1 322.453 2.617 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000487319664 429150078 /nfs/dbraw/zinc/15/00/78/429150078.db2.gz MPCLGAFBUXTVMH-WDYCEAGBSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1CC1(C)C ZINC000487319664 429150081 /nfs/dbraw/zinc/15/00/81/429150081.db2.gz MPCLGAFBUXTVMH-WDYCEAGBSA-N 2 1 302.462 2.648 20 0 DFADMP CCOc1ccc(OCC[N@@H+](CC)[C@H]2CCC[NH2+]CC2)cc1 ZINC000435617901 429152445 /nfs/dbraw/zinc/15/24/45/429152445.db2.gz XIMOXXZVHJBQGV-INIZCTEOSA-N 2 1 306.450 2.928 20 0 DFADMP CC[N@@H+](CCC(=O)NCC1CCCCC1)[C@@H]1CCC[NH2+]CC1 ZINC000435630207 429154526 /nfs/dbraw/zinc/15/45/26/429154526.db2.gz WJNISOWUPODLIR-QGZVFWFLSA-N 2 1 309.498 2.537 20 0 DFADMP CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626274 429154859 /nfs/dbraw/zinc/15/48/59/429154859.db2.gz KEWDWVYYAFXLPF-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626274 429154861 /nfs/dbraw/zinc/15/48/61/429154861.db2.gz KEWDWVYYAFXLPF-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CN(C(=O)CC[C@H]([NH3+])CC1CCCCC1)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000424141369 429098607 /nfs/dbraw/zinc/09/86/07/429098607.db2.gz CKNXYJYJXRAVNG-FUHWJXTLSA-N 2 1 321.509 2.759 20 0 DFADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)c(F)c1 ZINC000423502544 429101510 /nfs/dbraw/zinc/10/15/10/429101510.db2.gz FECGSIMNMVPARN-JEYLPNPQSA-N 2 1 323.431 2.832 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505797 429101906 /nfs/dbraw/zinc/10/19/06/429101906.db2.gz HISVHPZQUXAOHP-BEFAXECRSA-N 3 1 319.493 2.795 20 0 DFADMP C[C@@H](N[C@@H](C[NH3+])C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423505797 429101910 /nfs/dbraw/zinc/10/19/10/429101910.db2.gz HISVHPZQUXAOHP-BEFAXECRSA-N 2 1 319.493 2.795 20 0 DFADMP C[C@@H]1C[N@@H+]([C@@H](c2cnn(C)c2)c2cccc(F)c2)C[C@@]1(C)C[NH3+] ZINC000423508947 429103655 /nfs/dbraw/zinc/10/36/55/429103655.db2.gz LSEFQKYNXITTIP-FSPWUOQZSA-N 2 1 316.424 2.565 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H](c2cnn(C)c2)c2cccc(F)c2)C[C@@]1(C)C[NH3+] ZINC000423508947 429103658 /nfs/dbraw/zinc/10/36/58/429103658.db2.gz LSEFQKYNXITTIP-FSPWUOQZSA-N 2 1 316.424 2.565 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000434681985 429104399 /nfs/dbraw/zinc/10/43/99/429104399.db2.gz ACOLWWONFNUWQG-UHFFFAOYSA-N 2 1 319.449 2.742 20 0 DFADMP C[C@H](c1ccc2c(c1)C(C)(C)C(=O)N2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423512815 429104534 /nfs/dbraw/zinc/10/45/34/429104534.db2.gz QLUBLTWOWPLXMB-VLXJIEOASA-N 2 1 315.461 2.894 20 0 DFADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000423520544 429105205 /nfs/dbraw/zinc/10/52/05/429105205.db2.gz RGZJLFDPDKMVNU-RWBZWWBESA-N 2 1 305.441 2.693 20 0 DFADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(F)c1 ZINC000423519738 429105921 /nfs/dbraw/zinc/10/59/21/429105921.db2.gz QJSOPYQJXYFWML-NNGSBXSVSA-N 2 1 305.441 2.693 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000423520564 429106087 /nfs/dbraw/zinc/10/60/87/429106087.db2.gz RLGOPGKOOIBRPR-IVMQYODDSA-N 2 1 301.478 2.862 20 0 DFADMP COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)c1OC ZINC000423514938 429106272 /nfs/dbraw/zinc/10/62/72/429106272.db2.gz URXQJJRBRAOPMF-PJIJBLCYSA-N 2 1 320.477 2.860 20 0 DFADMP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccc(F)c1 ZINC000423519739 429106428 /nfs/dbraw/zinc/10/64/28/429106428.db2.gz QJSOPYQJXYFWML-RWBZWWBESA-N 2 1 305.441 2.693 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)cc1)C1CC1 ZINC000434704143 429107125 /nfs/dbraw/zinc/10/71/25/429107125.db2.gz XGPLKVGUPORYFQ-KSSFIOAISA-N 2 1 315.461 2.541 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424278714 429119481 /nfs/dbraw/zinc/11/94/81/429119481.db2.gz DYOUDQSAFSPQPL-WMZOPIPTSA-N 2 1 307.457 2.674 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CC(=O)Nc1cccc(Cl)c1)CC[NH2+]CC2 ZINC000424294340 429121241 /nfs/dbraw/zinc/12/12/41/429121241.db2.gz QAEKXCLGLKGLEI-CYBMUJFWSA-N 2 1 321.852 2.743 20 0 DFADMP COc1cc(CN2CCC(c3c[nH]cn3)CC2)cc2c1OCO2 ZINC000376491259 429121702 /nfs/dbraw/zinc/12/17/02/429121702.db2.gz KHAVJDCJSSYPBK-UHFFFAOYSA-N 2 1 315.373 2.527 20 0 DFADMP c1[nH+]c(C2CC[NH+](CC[C@@H]3CCOC3)CC2)n2c1CCCC2 ZINC000435058539 429122397 /nfs/dbraw/zinc/12/23/97/429122397.db2.gz FEDAMQBKMHFCCC-OAHLLOKOSA-N 2 1 303.450 2.825 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424308141 429124871 /nfs/dbraw/zinc/12/48/71/429124871.db2.gz ZFVUDNOVGZIJID-WMZOPIPTSA-N 2 1 316.424 2.538 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424373489 429131387 /nfs/dbraw/zinc/13/13/87/429131387.db2.gz HDFKNXSJKZBLDV-AWEZNQCLSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(OC)c1 ZINC000424372090 429132453 /nfs/dbraw/zinc/13/24/53/429132453.db2.gz FLPCIXBRSIBMPS-AWEZNQCLSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](C)C2CCN(Cc3ccncc3)CC2)O1 ZINC000376559948 429135144 /nfs/dbraw/zinc/13/51/44/429135144.db2.gz AZONGGDMMSVCAN-CRAIPNDOSA-N 2 1 303.450 2.545 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000435377803 429135224 /nfs/dbraw/zinc/13/52/24/429135224.db2.gz FJZGXDUCUZQVNI-YTQUADARSA-N 2 1 323.440 2.926 20 0 DFADMP CCCCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376557646 429135673 /nfs/dbraw/zinc/13/56/73/429135673.db2.gz KQYZFVMGGOLFSB-DOTOQJQBSA-N 2 1 319.449 2.620 20 0 DFADMP CCCCC[C@H](C)NC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376557646 429135679 /nfs/dbraw/zinc/13/56/79/429135679.db2.gz KQYZFVMGGOLFSB-DOTOQJQBSA-N 2 1 319.449 2.620 20 0 DFADMP CC[N@@H+](Cc1cc(OC)c(OC)c(OC)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435388956 429136279 /nfs/dbraw/zinc/13/62/79/429136279.db2.gz IJZPQEQWMLPLPK-OAHLLOKOSA-N 2 1 322.449 2.676 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435389858 429136803 /nfs/dbraw/zinc/13/68/03/429136803.db2.gz OUYHCVKNXVFQIN-AWEZNQCLSA-N 2 1 318.852 2.923 20 0 DFADMP c1cc(C[N@H+](C[C@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432390 429140990 /nfs/dbraw/zinc/14/09/90/429140990.db2.gz MYKHVPXKLQCWAM-DOTOQJQBSA-N 3 1 319.518 2.692 20 0 DFADMP c1cc(CN(C[C@H]2CCC[NH2+]C2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435432390 429140993 /nfs/dbraw/zinc/14/09/93/429140993.db2.gz MYKHVPXKLQCWAM-DOTOQJQBSA-N 2 1 319.518 2.692 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)c1 ZINC000424448464 429142311 /nfs/dbraw/zinc/14/23/11/429142311.db2.gz XZTWFNGIZFTVMP-HIFRSBDPSA-N 2 1 318.465 2.696 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCN2CC[N@@H+](C)C[C@H]2c2ccccc2)[C@@H]1C ZINC000494905558 429163805 /nfs/dbraw/zinc/16/38/05/429163805.db2.gz AUTDZZXWVAZLLQ-JYBIWHBTSA-N 2 1 315.505 2.999 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)[C@@H]1C ZINC000494927288 429165364 /nfs/dbraw/zinc/16/53/64/429165364.db2.gz ZUMFJPZYCBXBFL-GPMSIDNRSA-N 2 1 301.478 2.568 20 0 DFADMP CCSCC[N@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691791 429158826 /nfs/dbraw/zinc/15/88/26/429158826.db2.gz HYYBQDOSDMGACQ-OAHLLOKOSA-N 2 1 322.522 2.600 20 0 DFADMP CCSCC[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000435691791 429158829 /nfs/dbraw/zinc/15/88/29/429158829.db2.gz HYYBQDOSDMGACQ-OAHLLOKOSA-N 2 1 322.522 2.600 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000271973651 275055597 /nfs/dbraw/zinc/05/55/97/275055597.db2.gz NHPNFIOQMQNMKT-XFWGSAIBSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000271973651 275055598 /nfs/dbraw/zinc/05/55/98/275055598.db2.gz NHPNFIOQMQNMKT-XFWGSAIBSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000271973651 275055599 /nfs/dbraw/zinc/05/55/99/275055599.db2.gz NHPNFIOQMQNMKT-XFWGSAIBSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000271973651 275055600 /nfs/dbraw/zinc/05/56/00/275055600.db2.gz NHPNFIOQMQNMKT-XFWGSAIBSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000359310594 275060287 /nfs/dbraw/zinc/06/02/87/275060287.db2.gz JVACDXWTKGXPEH-AABGKKOBSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCC[C@@H]2C2CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000359310594 275060288 /nfs/dbraw/zinc/06/02/88/275060288.db2.gz JVACDXWTKGXPEH-AABGKKOBSA-N 2 1 314.473 2.792 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495352238 429201414 /nfs/dbraw/zinc/20/14/14/429201414.db2.gz KENCSWQVYQHBDM-CQSZACIVSA-N 2 1 313.486 2.611 20 0 DFADMP c1cc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)n[nH]1 ZINC000364443533 429204247 /nfs/dbraw/zinc/20/42/47/429204247.db2.gz UKIADISYUQUCNT-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364640591 429240926 /nfs/dbraw/zinc/24/09/26/429240926.db2.gz XITZGXUMHVGJHS-MRXNPFEDSA-N 2 1 319.468 2.734 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C1 ZINC000442929568 429241881 /nfs/dbraw/zinc/24/18/81/429241881.db2.gz RUMAOOXIWKBMRL-CYBMUJFWSA-N 2 1 302.397 2.777 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364716899 429255146 /nfs/dbraw/zinc/25/51/46/429255146.db2.gz XULNSEDIUWMBCO-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364716899 429255148 /nfs/dbraw/zinc/25/51/48/429255148.db2.gz XULNSEDIUWMBCO-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H](O)c3ccccc3)C2)c1 ZINC000364728486 429256884 /nfs/dbraw/zinc/25/68/84/429256884.db2.gz SVKTVSYHXKAYGP-AEFFLSMTSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H](O)c3ccccc3)C2)c1 ZINC000364728486 429256886 /nfs/dbraw/zinc/25/68/86/429256886.db2.gz SVKTVSYHXKAYGP-AEFFLSMTSA-N 2 1 311.429 2.857 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495747239 429258171 /nfs/dbraw/zinc/25/81/71/429258171.db2.gz FXFTUORYOIEYJP-MRXNPFEDSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCCC[C@@H]1COC(=O)NC(C)C ZINC000495747239 429258174 /nfs/dbraw/zinc/25/81/74/429258174.db2.gz FXFTUORYOIEYJP-MRXNPFEDSA-N 2 1 322.453 2.571 20 0 DFADMP CC[N@@H+](CC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)C1CC1 ZINC000456279863 429269852 /nfs/dbraw/zinc/26/98/52/429269852.db2.gz PSNDYTPWUTUUGV-QGZVFWFLSA-N 2 1 301.434 2.658 20 0 DFADMP CC(C)n1ccnc1CN1CCC[N@@H+](C[C@@H]2CC[C@H](C)O2)CC1 ZINC000365055339 429274066 /nfs/dbraw/zinc/27/40/66/429274066.db2.gz OZWBNDGNDMEHQG-IRXDYDNUSA-N 2 1 320.481 2.539 20 0 DFADMP c1cc2c(cc1C[NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)OCCCCO2 ZINC000449073510 429324657 /nfs/dbraw/zinc/32/46/57/429324657.db2.gz IVPCRGJKGCMGQZ-INIZCTEOSA-N 2 1 316.445 2.812 20 0 DFADMP CCOCC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000365464241 429324914 /nfs/dbraw/zinc/32/49/14/429324914.db2.gz QICHCGCITCLMHY-KSSFIOAISA-N 2 1 317.433 2.619 20 0 DFADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)OCCCCO2 ZINC000449093762 429328328 /nfs/dbraw/zinc/32/83/28/429328328.db2.gz YFFZMOFUGLIRHQ-DLBZAZTESA-N 2 1 316.445 2.954 20 0 DFADMP c1cc2c(cc1C[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)OCCCCO2 ZINC000449093762 429328333 /nfs/dbraw/zinc/32/83/33/429328333.db2.gz YFFZMOFUGLIRHQ-DLBZAZTESA-N 2 1 316.445 2.954 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000449098593 429331034 /nfs/dbraw/zinc/33/10/34/429331034.db2.gz KAQQUDJFOXLEJS-CABCVRRESA-N 2 1 311.514 2.637 20 0 DFADMP COCC1CCC([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000449103349 429332590 /nfs/dbraw/zinc/33/25/90/429332590.db2.gz PSJIJNJVFODDIH-OQSMONGASA-N 2 1 312.498 2.671 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCCC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000449161656 429347772 /nfs/dbraw/zinc/34/77/72/429347772.db2.gz GJONRVIIVQIBTP-AZUAARDMSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000449161656 429347775 /nfs/dbraw/zinc/34/77/75/429347775.db2.gz GJONRVIIVQIBTP-AZUAARDMSA-N 2 1 314.473 2.936 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000365547645 429339136 /nfs/dbraw/zinc/33/91/36/429339136.db2.gz DFFNOGAXKOHRDR-HNNXBMFYSA-N 2 1 315.465 2.804 20 0 DFADMP COCC[NH+]1CCC([NH2+]C2CC(C)(c3ccc(F)cc3)C2)CC1 ZINC000365381623 429310706 /nfs/dbraw/zinc/31/07/06/429310706.db2.gz QJMJPCFMXJDHHA-UHFFFAOYSA-N 2 1 320.452 2.946 20 0 DFADMP COC1CCC([NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CC1 ZINC000365393986 429311861 /nfs/dbraw/zinc/31/18/61/429311861.db2.gz QUBASQYIXUIAJV-AQFXKWCLSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449337664 429392499 /nfs/dbraw/zinc/39/24/99/429392499.db2.gz QQRXFOGSTLLTFS-YVSFHVDLSA-N 2 1 323.525 2.767 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000517929646 429405551 /nfs/dbraw/zinc/40/55/51/429405551.db2.gz YHRQQYGLNNUJPS-SDXDJHTJSA-N 2 1 315.505 2.953 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)C(F)F)CC1 ZINC000449169101 429348663 /nfs/dbraw/zinc/34/86/63/429348663.db2.gz GCOAIULEZBHNJS-CYBMUJFWSA-N 2 1 306.441 2.881 20 0 DFADMP O=C(NC[C@@H]1CCC[N@H+]1C1CCCCC1)C12CCC[NH+]1CCC2 ZINC000365613165 429350889 /nfs/dbraw/zinc/35/08/89/429350889.db2.gz AMUARHWYHRNOOV-KRWDZBQOSA-N 2 1 319.493 2.528 20 0 DFADMP Cc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000425899307 429350919 /nfs/dbraw/zinc/35/09/19/429350919.db2.gz KVLIHBJKBYVISX-UHFFFAOYSA-N 2 1 303.381 2.879 20 0 DFADMP Cc1cccc(NC2CC[NH+](Cc3c[nH]c4nccnc34)CC2)[nH+]1 ZINC000365616968 429352004 /nfs/dbraw/zinc/35/20/04/429352004.db2.gz MCLPJXNMQYZPAY-UHFFFAOYSA-N 2 1 322.416 2.689 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426708267 429410008 /nfs/dbraw/zinc/41/00/08/429410008.db2.gz IFIJASAESZVKON-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426052897 429362024 /nfs/dbraw/zinc/36/20/24/429362024.db2.gz ULUVABFTQQFMBC-BFHYXJOUSA-N 2 1 309.420 2.579 20 0 DFADMP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000449235069 429363424 /nfs/dbraw/zinc/36/34/24/429363424.db2.gz SOMCFDMGEVCUMN-HNAYVOBHSA-N 2 1 314.429 2.567 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449242334 429364931 /nfs/dbraw/zinc/36/49/31/429364931.db2.gz FMUKISWUKSTHAY-OIISXLGYSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)C1 ZINC000449242334 429364935 /nfs/dbraw/zinc/36/49/35/429364935.db2.gz FMUKISWUKSTHAY-OIISXLGYSA-N 2 1 308.853 2.632 20 0 DFADMP CCOCC[N@@H+](C)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000365782099 429371698 /nfs/dbraw/zinc/37/16/98/429371698.db2.gz AUILYRXXOUHOBG-UHFFFAOYSA-N 2 1 320.481 2.846 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000426296147 429379999 /nfs/dbraw/zinc/37/99/99/429379999.db2.gz XCNQNKFNMJDUGX-RXABAKJHSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@@H]1C[NH2+]C[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000449318724 429386438 /nfs/dbraw/zinc/38/64/38/429386438.db2.gz DREZLUXBTNZJIH-IIDMSEBBSA-N 2 1 315.461 2.713 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449325904 429388276 /nfs/dbraw/zinc/38/82/76/429388276.db2.gz QKFDSCNGBVWRTA-MHORFTMASA-N 2 1 323.525 2.768 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+]1CC1CCCCC1)[NH+](C)C ZINC000426392602 429388647 /nfs/dbraw/zinc/38/86/47/429388647.db2.gz XPBOIMKHJWUCCD-MSOLQXFVSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\C[NH+](C)C)cc2)C1 ZINC000491686421 429390447 /nfs/dbraw/zinc/39/04/47/429390447.db2.gz QPCQBONVAATHHG-GMNBZTITSA-N 2 1 315.461 2.975 20 0 DFADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC[N@@H+]2CC=CCC2)CC1 ZINC000366251033 429440199 /nfs/dbraw/zinc/44/01/99/429440199.db2.gz UTTVZMJQRZLCJB-HKUYNNGSSA-N 2 1 305.510 2.881 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000519110498 429447878 /nfs/dbraw/zinc/44/78/78/429447878.db2.gz AGVKMLNWJKMJGI-GDBMZVCRSA-N 2 1 305.470 2.748 20 0 DFADMP CC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)O ZINC000449541117 429447894 /nfs/dbraw/zinc/44/78/94/429447894.db2.gz JVQXCXCFCAMZFR-RMPXNZIMSA-N 2 1 302.462 2.931 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(Cc3cnc([C@@H]4CCCO4)s3)C2)C1 ZINC000366489141 429461078 /nfs/dbraw/zinc/46/10/78/429461078.db2.gz KIFCDQVGQTWPDT-GOEBONIOSA-N 2 1 307.463 2.522 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3cnc([C@H]4CCCO4)s3)C2)C1 ZINC000366489144 429462318 /nfs/dbraw/zinc/46/23/18/429462318.db2.gz KIFCDQVGQTWPDT-ZBFHGGJFSA-N 2 1 307.463 2.522 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000427121471 429433158 /nfs/dbraw/zinc/43/31/58/429433158.db2.gz ITKLREDLGVXSGO-SJLPKXTDSA-N 2 1 310.445 2.579 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000427119878 429433741 /nfs/dbraw/zinc/43/37/41/429433741.db2.gz NNCWDPKVUJYDOZ-OALUTQOASA-N 2 1 315.505 2.828 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000366218142 429434259 /nfs/dbraw/zinc/43/42/59/429434259.db2.gz KHSIFUJZICZUDK-QWHCGFSZSA-N 2 1 311.495 2.677 20 0 DFADMP C[C@@H]([NH2+]CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)C1CCC1 ZINC000366211654 429434472 /nfs/dbraw/zinc/43/44/72/429434472.db2.gz SWFJPNYZWIIORO-MRXNPFEDSA-N 3 1 307.526 2.961 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]CCC[C@H]3CCOC3)sc2C1 ZINC000449686676 429477926 /nfs/dbraw/zinc/47/79/26/429477926.db2.gz XWPMMSLIUSFGLF-AWEZNQCLSA-N 2 1 323.506 2.816 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]CCC[C@H]3CCOC3)sc2C1 ZINC000449686676 429477929 /nfs/dbraw/zinc/47/79/29/429477929.db2.gz XWPMMSLIUSFGLF-AWEZNQCLSA-N 2 1 323.506 2.816 20 0 DFADMP C[C@H]1CCC[C@H](C)N1C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366866708 429530135 /nfs/dbraw/zinc/53/01/35/429530135.db2.gz RUDHPQPHYFVOPH-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034691 429484823 /nfs/dbraw/zinc/48/48/23/429484823.db2.gz TXYPKBAIWMXFKT-GXTWGEPZSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000428034691 429484826 /nfs/dbraw/zinc/48/48/26/429484826.db2.gz TXYPKBAIWMXFKT-GXTWGEPZSA-N 2 1 314.351 2.768 20 0 DFADMP C[N@H+]1CCN(CCC[NH2+]CC2(C)CC2)[C@@H](c2ccccc2)C1 ZINC000519798306 429489168 /nfs/dbraw/zinc/48/91/68/429489168.db2.gz QDBYUNBBBGMFKF-GOSISDBHSA-N 2 1 301.478 2.755 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000449742060 429492754 /nfs/dbraw/zinc/49/27/54/429492754.db2.gz XSVQPLIXDBLQAU-ATZDWAIDSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](O)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000449742060 429492758 /nfs/dbraw/zinc/49/27/58/429492758.db2.gz XSVQPLIXDBLQAU-ATZDWAIDSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000428201642 429499009 /nfs/dbraw/zinc/49/90/09/429499009.db2.gz BSBWHSFBHKYKDL-GOSISDBHSA-N 2 1 313.489 2.713 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](CCN2CCc3ccccc32)C1 ZINC000428201642 429499014 /nfs/dbraw/zinc/49/90/14/429499014.db2.gz BSBWHSFBHKYKDL-GOSISDBHSA-N 2 1 313.489 2.713 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](CCN2CCc3ccccc32)C1 ZINC000428201642 429499016 /nfs/dbraw/zinc/49/90/16/429499016.db2.gz BSBWHSFBHKYKDL-GOSISDBHSA-N 2 1 313.489 2.713 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000428201652 429499381 /nfs/dbraw/zinc/49/93/81/429499381.db2.gz BSBWHSFBHKYKDL-SFHVURJKSA-N 2 1 313.489 2.713 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCN2CCc3ccccc32)C1 ZINC000428201652 429499384 /nfs/dbraw/zinc/49/93/84/429499384.db2.gz BSBWHSFBHKYKDL-SFHVURJKSA-N 2 1 313.489 2.713 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCN2CCc3ccccc32)C1 ZINC000428201652 429499388 /nfs/dbraw/zinc/49/93/88/429499388.db2.gz BSBWHSFBHKYKDL-SFHVURJKSA-N 2 1 313.489 2.713 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)/C=C\C[NH+](C)C)CC1)CC(C)C ZINC000492323619 429513068 /nfs/dbraw/zinc/51/30/68/429513068.db2.gz OBACEYJQQCVFGP-FPLPWBNLSA-N 2 1 323.525 2.711 20 0 DFADMP CC(C)(C)c1nc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)cs1 ZINC000366790042 429514766 /nfs/dbraw/zinc/51/47/66/429514766.db2.gz JUNHYLWEBFFTFS-GFCCVEGCSA-N 2 1 304.463 2.989 20 0 DFADMP CC(C)(C)c1nc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)cs1 ZINC000366790043 429514780 /nfs/dbraw/zinc/51/47/80/429514780.db2.gz JUNHYLWEBFFTFS-LBPRGKRZSA-N 2 1 304.463 2.989 20 0 DFADMP CC(C)[N@@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000449803886 429514937 /nfs/dbraw/zinc/51/49/37/429514937.db2.gz QBMVIQDFKYFWHK-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000449803886 429514940 /nfs/dbraw/zinc/51/49/40/429514940.db2.gz QBMVIQDFKYFWHK-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)[NH+](C)CCCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449803886 429514945 /nfs/dbraw/zinc/51/49/45/429514945.db2.gz QBMVIQDFKYFWHK-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP CCC[N@H+](CC)Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1 ZINC000457749432 429519961 /nfs/dbraw/zinc/51/99/61/429519961.db2.gz QPLBJVPUDUAWKC-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC2C[NH+](C(C)C)C2)cc1 ZINC000457749432 429519967 /nfs/dbraw/zinc/51/99/67/429519967.db2.gz QPLBJVPUDUAWKC-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC[C@@]1(O)CC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000428425851 429520712 /nfs/dbraw/zinc/52/07/12/429520712.db2.gz XSZQPMLUPBEORK-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@@]1(O)CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000428425851 429520717 /nfs/dbraw/zinc/52/07/17/429520717.db2.gz XSZQPMLUPBEORK-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@@]1(O)CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000428425851 429520718 /nfs/dbraw/zinc/52/07/18/429520718.db2.gz XSZQPMLUPBEORK-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CCCCNC(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366817872 429520705 /nfs/dbraw/zinc/52/07/05/429520705.db2.gz IDMPEUNMHGFQJP-SFHVURJKSA-N 2 1 302.466 2.813 20 0 DFADMP CC[C@@]1(O)CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000428425851 429520724 /nfs/dbraw/zinc/52/07/24/429520724.db2.gz XSZQPMLUPBEORK-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]([NH3+])C1CCN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000428900765 429559444 /nfs/dbraw/zinc/55/94/44/429559444.db2.gz ZXDASVGGDIMFJQ-BLLLJJGKSA-N 2 1 323.868 2.529 20 0 DFADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000367076073 429572481 /nfs/dbraw/zinc/57/24/81/429572481.db2.gz ZFHHYKWQSWGURN-MOIQIXESSA-N 2 1 311.429 2.988 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000522007207 429576483 /nfs/dbraw/zinc/57/64/83/429576483.db2.gz CUAHIDAISHKUKF-LJQANCHMSA-N 3 1 310.445 2.502 20 0 DFADMP C(CO[C@H]1CCCCO1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000367301163 429615399 /nfs/dbraw/zinc/61/53/99/429615399.db2.gz XWJRBVXHXDHIIN-SFHVURJKSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000492816128 429620835 /nfs/dbraw/zinc/62/08/35/429620835.db2.gz LDFCBJQUYJOXDY-OVWQWFNUSA-N 2 1 318.465 2.510 20 0 DFADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2CC[N@H+](C)Cc1ccccc1 ZINC000450478655 429638413 /nfs/dbraw/zinc/63/84/13/429638413.db2.gz IDKGBWZJRIQQLD-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP CC[NH+]1CC[C@H]2CC[C@@H](C1)N2CC[N@@H+](C)Cc1ccccc1 ZINC000450478655 429638415 /nfs/dbraw/zinc/63/84/15/429638415.db2.gz IDKGBWZJRIQQLD-MOPGFXCFSA-N 2 1 301.478 2.677 20 0 DFADMP C(CC[NH+]1CCC[C@@]12CCOC2)CC[N@H+]1CCC[C@]12CCOC2 ZINC000367459688 429651470 /nfs/dbraw/zinc/65/14/70/429651470.db2.gz VJKADHPQUYLWLJ-KDURUIRLSA-N 2 1 322.493 2.667 20 0 DFADMP C(CC[NH+]1CCC[C@]12CCOC2)CC[N@@H+]1CCC[C@@]12CCOC2 ZINC000367459688 429651474 /nfs/dbraw/zinc/65/14/74/429651474.db2.gz VJKADHPQUYLWLJ-KDURUIRLSA-N 2 1 322.493 2.667 20 0 DFADMP C(CC[NH+]1CCC[C@]12CCOC2)CC[N@H+]1CCC[C@@]12CCOC2 ZINC000367459688 429651479 /nfs/dbraw/zinc/65/14/79/429651479.db2.gz VJKADHPQUYLWLJ-KDURUIRLSA-N 2 1 322.493 2.667 20 0 DFADMP c1ccc2[nH]c(NC[C@@H]3CCC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000367167897 429590579 /nfs/dbraw/zinc/59/05/79/429590579.db2.gz KELOUUVDKVKKJY-INIZCTEOSA-N 2 1 321.428 2.704 20 0 DFADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+][C@@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000367183500 429594497 /nfs/dbraw/zinc/59/44/97/429594497.db2.gz CFDPHKFLUJSRFN-DFQSSKMNSA-N 3 1 319.537 2.961 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115928 429600481 /nfs/dbraw/zinc/60/04/81/429600481.db2.gz GAPDUMYSBYNUCQ-BBWFWOEESA-N 2 1 323.525 2.827 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115928 429600485 /nfs/dbraw/zinc/60/04/85/429600485.db2.gz GAPDUMYSBYNUCQ-BBWFWOEESA-N 2 1 323.525 2.827 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000523115928 429600488 /nfs/dbraw/zinc/60/04/88/429600488.db2.gz GAPDUMYSBYNUCQ-BBWFWOEESA-N 2 1 323.525 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(CO)C[C@@H]1c1ccc(F)cc1 ZINC000429430559 429607154 /nfs/dbraw/zinc/60/71/54/429607154.db2.gz RYBCDTQAWCKBDL-XABSUIGJSA-N 2 1 320.452 2.610 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367264194 429607141 /nfs/dbraw/zinc/60/71/41/429607141.db2.gz KYTRHTHXXVYCIB-DZRGKWQISA-N 2 1 300.446 2.631 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367264194 429607145 /nfs/dbraw/zinc/60/71/45/429607145.db2.gz KYTRHTHXXVYCIB-DZRGKWQISA-N 2 1 300.446 2.631 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367264197 429607557 /nfs/dbraw/zinc/60/75/57/429607557.db2.gz KYTRHTHXXVYCIB-UJCHZGTJSA-N 2 1 300.446 2.631 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367264197 429607560 /nfs/dbraw/zinc/60/75/60/429607560.db2.gz KYTRHTHXXVYCIB-UJCHZGTJSA-N 2 1 300.446 2.631 20 0 DFADMP OCCC[N@@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(F)ccc12 ZINC000450590390 429656003 /nfs/dbraw/zinc/65/60/03/429656003.db2.gz DPQJSWCPQRUFRN-CQSZACIVSA-N 2 1 303.381 2.633 20 0 DFADMP OCCC[N@H+]1CCC[C@@H]1CNc1cc[nH+]c2cc(F)ccc12 ZINC000450590390 429656006 /nfs/dbraw/zinc/65/60/06/429656006.db2.gz DPQJSWCPQRUFRN-CQSZACIVSA-N 2 1 303.381 2.633 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CCC(F)(F)C1 ZINC000450600353 429659158 /nfs/dbraw/zinc/65/91/58/429659158.db2.gz NLLIBECSKFREPT-KBUPBQIOSA-N 2 1 302.409 2.605 20 0 DFADMP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCC2)C1)[NH+]1CCCCC1 ZINC000359067288 276013843 /nfs/dbraw/zinc/01/38/43/276013843.db2.gz VWXKEDKWJWRWRT-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](CC23CCC(CC2)C3)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450640749 429668418 /nfs/dbraw/zinc/66/84/18/429668418.db2.gz GWNDGZJZCGJRLT-RRENTHDGSA-N 2 1 305.510 2.525 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353753635 276043060 /nfs/dbraw/zinc/04/30/60/276043060.db2.gz MCTLREPFHZMMQJ-JQHSSLGASA-N 2 1 317.477 2.531 20 0 DFADMP CCN(C(=O)CC(C)(C)[NH3+])[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000368453507 276060352 /nfs/dbraw/zinc/06/03/52/276060352.db2.gz KNYCDUDGIJDPEU-NVXWUHKLSA-N 2 1 317.477 2.798 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000358018496 276089562 /nfs/dbraw/zinc/08/95/62/276089562.db2.gz AWJMHFUEKGCHGY-IKGGRYGDSA-N 2 1 302.466 2.538 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360032031 276158564 /nfs/dbraw/zinc/15/85/64/276158564.db2.gz RTJNVDFKCSOGMD-ABHNRTSZSA-N 2 1 321.509 2.584 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364864503 276180051 /nfs/dbraw/zinc/18/00/51/276180051.db2.gz CVOHVJHZDFPRFQ-HAGHYFMRSA-N 2 1 319.537 2.937 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@H]1c1cccs1 ZINC000367601353 429681436 /nfs/dbraw/zinc/68/14/36/429681436.db2.gz NSFIYRDZOANHOZ-WMLDXEAASA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000367601353 429681440 /nfs/dbraw/zinc/68/14/40/429681440.db2.gz NSFIYRDZOANHOZ-WMLDXEAASA-N 2 1 318.490 2.963 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000107371821 276198224 /nfs/dbraw/zinc/19/82/24/276198224.db2.gz UOGLSMIVMRYJOH-MRXNPFEDSA-N 2 1 307.869 2.552 20 0 DFADMP CC[N@H+]1CC[C@H](NC2CC[NH+](CC3CCCC3)CC2)[C@@H](C)C1 ZINC000246872455 276227984 /nfs/dbraw/zinc/22/79/84/276227984.db2.gz CPMDHLSJCNPICF-LPHOPBHVSA-N 2 1 307.526 2.961 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430554816 429690115 /nfs/dbraw/zinc/69/01/15/429690115.db2.gz NVLPGYOAQLHGBW-RDJZCZTQSA-N 2 1 319.493 2.949 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430554816 429690117 /nfs/dbraw/zinc/69/01/17/429690117.db2.gz NVLPGYOAQLHGBW-RDJZCZTQSA-N 2 1 319.493 2.949 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000430553742 429690214 /nfs/dbraw/zinc/69/02/14/429690214.db2.gz LUZIGGPVGPLLEW-FIDHJVLJSA-N 2 1 311.514 2.621 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C ZINC000430553742 429690217 /nfs/dbraw/zinc/69/02/17/429690217.db2.gz LUZIGGPVGPLLEW-FIDHJVLJSA-N 2 1 311.514 2.621 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@H]2CCC[C@H]21 ZINC000367611289 429685562 /nfs/dbraw/zinc/68/55/62/429685562.db2.gz BNNZZHHCMBVJIO-FGTMMUONSA-N 2 1 302.466 2.961 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@H]2CCC[C@H]21 ZINC000367611289 429685566 /nfs/dbraw/zinc/68/55/66/429685566.db2.gz BNNZZHHCMBVJIO-FGTMMUONSA-N 2 1 302.466 2.961 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000367613174 429685727 /nfs/dbraw/zinc/68/57/27/429685727.db2.gz BRUNJJWXJUIQGG-JZXOWHBKSA-N 3 1 312.461 2.807 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000367624903 429687674 /nfs/dbraw/zinc/68/76/74/429687674.db2.gz YNACGEAKGRYPEG-QYZOEREBSA-N 2 1 307.526 2.772 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H]2CCC[C@@H]21 ZINC000367624629 429688139 /nfs/dbraw/zinc/68/81/39/429688139.db2.gz WJDHYFBHFCSLAU-AABGKKOBSA-N 2 1 324.472 2.894 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430551786 429688849 /nfs/dbraw/zinc/68/88/49/429688849.db2.gz ISYHTKXJLQYGQZ-DZGCQCFKSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1C[NH3+] ZINC000430551786 429688853 /nfs/dbraw/zinc/68/88/53/429688853.db2.gz ISYHTKXJLQYGQZ-DZGCQCFKSA-N 2 1 321.490 2.796 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000367631756 429688924 /nfs/dbraw/zinc/68/89/24/429688924.db2.gz FFGGLTNRHMOZBQ-HCXYKTFWSA-N 2 1 302.462 2.747 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000430593363 429699697 /nfs/dbraw/zinc/69/96/97/429699697.db2.gz IVNZVHBQQPNDMA-HNNXBMFYSA-N 2 1 313.449 2.650 20 0 DFADMP CC[NH+](CC)CC(=O)N1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000157677424 276321548 /nfs/dbraw/zinc/32/15/48/276321548.db2.gz GQUYINYUNNFHON-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000430574976 429693554 /nfs/dbraw/zinc/69/35/54/429693554.db2.gz PLBNEUBMRHTLNM-SOLBZPMBSA-N 2 1 319.493 2.600 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000430574976 429693558 /nfs/dbraw/zinc/69/35/58/429693558.db2.gz PLBNEUBMRHTLNM-SOLBZPMBSA-N 2 1 319.493 2.600 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000430570780 429694536 /nfs/dbraw/zinc/69/45/36/429694536.db2.gz CDTPMVYISHWLAQ-ZOBUZTSGSA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@@H](C)c1ccccc1 ZINC000430570780 429694540 /nfs/dbraw/zinc/69/45/40/429694540.db2.gz CDTPMVYISHWLAQ-ZOBUZTSGSA-N 2 1 305.466 2.558 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1ccc(F)c(Br)c1)C1CC1 ZINC000430573403 429694651 /nfs/dbraw/zinc/69/46/51/429694651.db2.gz QWAJNNQEXKUUAK-CYBMUJFWSA-N 2 1 301.203 2.805 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000430584417 429697418 /nfs/dbraw/zinc/69/74/18/429697418.db2.gz OMSBGQAUVUFWKZ-LJQANCHMSA-N 2 1 311.429 2.878 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000430591525 429698362 /nfs/dbraw/zinc/69/83/62/429698362.db2.gz KIBZBNNAICMGHQ-INIZCTEOSA-N 2 1 316.449 2.974 20 0 DFADMP C[N@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000430648502 429705701 /nfs/dbraw/zinc/70/57/01/429705701.db2.gz ZIUGLORSWMAOPB-UHFFFAOYSA-N 2 1 320.824 2.616 20 0 DFADMP C[N@@H+](CCc1nc(-c2ccc(Cl)cc2)no1)C1CC[NH2+]CC1 ZINC000430648502 429705705 /nfs/dbraw/zinc/70/57/05/429705705.db2.gz ZIUGLORSWMAOPB-UHFFFAOYSA-N 2 1 320.824 2.616 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430641403 429706105 /nfs/dbraw/zinc/70/61/05/429706105.db2.gz SSTRQVJPNDKUPU-BBRMVZONSA-N 2 1 307.413 2.664 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000430641403 429706109 /nfs/dbraw/zinc/70/61/09/429706109.db2.gz SSTRQVJPNDKUPU-BBRMVZONSA-N 2 1 307.413 2.664 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430641404 429706237 /nfs/dbraw/zinc/70/62/37/429706237.db2.gz SSTRQVJPNDKUPU-CJNGLKHVSA-N 2 1 307.413 2.664 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000430641404 429706240 /nfs/dbraw/zinc/70/62/40/429706240.db2.gz SSTRQVJPNDKUPU-CJNGLKHVSA-N 2 1 307.413 2.664 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430739183 429714652 /nfs/dbraw/zinc/71/46/52/429714652.db2.gz MYJQMWHCZMYMKZ-INIZCTEOSA-N 2 1 322.518 2.697 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCSCc2ccccc2)CC1 ZINC000430739183 429714656 /nfs/dbraw/zinc/71/46/56/429714656.db2.gz MYJQMWHCZMYMKZ-INIZCTEOSA-N 2 1 322.518 2.697 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@H]([NH3+])c2ccccc2)C[C@@H]1C ZINC000430797353 429716988 /nfs/dbraw/zinc/71/69/88/429716988.db2.gz OMTBLZVFQZNEEQ-MVJTYMMSSA-N 2 1 317.477 2.654 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@H](C)[NH3+])CC2)c(F)c1 ZINC000430919120 429723868 /nfs/dbraw/zinc/72/38/68/429723868.db2.gz JTWLMHNNHLAYTE-STQMWFEESA-N 2 1 307.413 2.520 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc3ccccc32)C1 ZINC000430931437 429724383 /nfs/dbraw/zinc/72/43/83/429724383.db2.gz CYHZUNDRTPVHPH-HNNXBMFYSA-N 2 1 311.429 2.710 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000430927309 429724739 /nfs/dbraw/zinc/72/47/39/429724739.db2.gz ICTCLKUFVLMCGQ-WBMJQRKESA-N 2 1 321.852 2.505 20 0 DFADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2ccccc2C(C)(C)C)CC1 ZINC000430949024 429726802 /nfs/dbraw/zinc/72/68/02/429726802.db2.gz AVBXDASQWYDSDH-UHFFFAOYSA-N 2 1 317.477 2.854 20 0 DFADMP CC(C)CC[C@@H](O)C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000482844704 429728419 /nfs/dbraw/zinc/72/84/19/429728419.db2.gz PSNRNRVCTXVKGB-HSALFYBXSA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)CC[C@@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000482844704 429728425 /nfs/dbraw/zinc/72/84/25/429728425.db2.gz PSNRNRVCTXVKGB-HSALFYBXSA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)CC[C@@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000482844704 429728429 /nfs/dbraw/zinc/72/84/29/429728429.db2.gz PSNRNRVCTXVKGB-HSALFYBXSA-N 2 1 316.489 2.847 20 0 DFADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1[NH3+] ZINC000430964948 429732360 /nfs/dbraw/zinc/73/23/60/429732360.db2.gz JUTKUYVGHXVAJG-WMLDXEAASA-N 2 1 311.429 2.838 20 0 DFADMP CCNC(=O)C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCCN1C(C)C ZINC000450937525 429734788 /nfs/dbraw/zinc/73/47/88/429734788.db2.gz IAWASKRZZGMTSM-IRXDYDNUSA-N 2 1 309.498 2.630 20 0 DFADMP CCNC(=O)C[C@@H]1CCCCN1C[C@@H]1CCCC[N@@H+]1C(C)C ZINC000450937525 429734791 /nfs/dbraw/zinc/73/47/91/429734791.db2.gz IAWASKRZZGMTSM-IRXDYDNUSA-N 2 1 309.498 2.630 20 0 DFADMP CCNC(=O)C[C@@H]1CCCCN1C[C@@H]1CCCC[N@H+]1C(C)C ZINC000450937525 429734793 /nfs/dbraw/zinc/73/47/93/429734793.db2.gz IAWASKRZZGMTSM-IRXDYDNUSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000431061669 429737523 /nfs/dbraw/zinc/73/75/23/429737523.db2.gz LTVDONKOCKOBCZ-GOSISDBHSA-N 2 1 314.433 2.817 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@](C)(c3ccccc3)C2)n1 ZINC000431061669 429737524 /nfs/dbraw/zinc/73/75/24/429737524.db2.gz LTVDONKOCKOBCZ-GOSISDBHSA-N 2 1 314.433 2.817 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062424 429737733 /nfs/dbraw/zinc/73/77/33/429737733.db2.gz QCTLHQKCCFCFNS-DOTOQJQBSA-N 2 1 315.461 2.600 20 0 DFADMP C[NH+]1CCC(N[C@H]2C[C@H](C3CC3)[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367893976 429737811 /nfs/dbraw/zinc/73/78/11/429737811.db2.gz AOKUDSYQTSXWOR-VQTJNVASSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1[C@H](Cc2ccccc2)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431095499 429741302 /nfs/dbraw/zinc/74/13/02/429741302.db2.gz FUUPPVFWCGLIQJ-HIFRSBDPSA-N 2 1 314.433 2.717 20 0 DFADMP Cc1ccccc1[C@H]1CC[N@@H+](Cc2nc(C(C)(C)[NH3+])no2)C1 ZINC000431087173 429741963 /nfs/dbraw/zinc/74/19/63/429741963.db2.gz VMSYBRLOWZRNHQ-ZDUSSCGKSA-N 2 1 300.406 2.561 20 0 DFADMP C[NH+](C)CCCN[C@H]1C[C@H](C2CC2)[N@@H+](Cc2ccccc2)C1 ZINC000367909242 429742240 /nfs/dbraw/zinc/74/22/40/429742240.db2.gz FWLZCAJBTYYVJZ-RBUKOAKNSA-N 2 1 301.478 2.581 20 0 DFADMP CCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)C1CC[NH2+]CC1 ZINC000431085183 429742651 /nfs/dbraw/zinc/74/26/51/429742651.db2.gz MZCFBMCZUJJRNC-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP CCc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000368135993 429796272 /nfs/dbraw/zinc/79/62/72/429796272.db2.gz SIDVHWYXMJUFBZ-AWEZNQCLSA-N 2 1 324.900 2.800 20 0 DFADMP CCCCC[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000486812013 429750903 /nfs/dbraw/zinc/75/09/03/429750903.db2.gz YCKQFMMGCGHLIZ-QGZVFWFLSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCCc3[nH+]ccn32)c1 ZINC000367954440 429751096 /nfs/dbraw/zinc/75/10/96/429751096.db2.gz BPROWSVJKGVMRX-INIZCTEOSA-N 2 1 312.417 2.769 20 0 DFADMP Cc1n[nH]cc1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367958556 429751881 /nfs/dbraw/zinc/75/18/81/429751881.db2.gz DPNPLVBLPOKZSY-MJGOQNOKSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367958556 429751883 /nfs/dbraw/zinc/75/18/83/429751883.db2.gz DPNPLVBLPOKZSY-MJGOQNOKSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367958556 429751888 /nfs/dbraw/zinc/75/18/88/429751888.db2.gz DPNPLVBLPOKZSY-MJGOQNOKSA-N 2 1 310.445 2.672 20 0 DFADMP CCCCC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](CC)CC1 ZINC000486813696 429752148 /nfs/dbraw/zinc/75/21/48/429752148.db2.gz VQTITDYGNYODGO-KRWDZBQOSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000368025958 429770765 /nfs/dbraw/zinc/77/07/65/429770765.db2.gz YTLOXFHJKOXOIX-GUDVDZBRSA-N 2 1 317.477 2.506 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431725961 429779476 /nfs/dbraw/zinc/77/94/76/429779476.db2.gz OUTMNCFPPTXFQH-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431725961 429779481 /nfs/dbraw/zinc/77/94/81/429779481.db2.gz OUTMNCFPPTXFQH-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000431725961 429779485 /nfs/dbraw/zinc/77/94/85/429779485.db2.gz OUTMNCFPPTXFQH-FGTMMUONSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000431724964 429779578 /nfs/dbraw/zinc/77/95/78/429779578.db2.gz XWCMKKKYDIZSOR-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451194659 429785563 /nfs/dbraw/zinc/78/55/63/429785563.db2.gz WHZLOXBSDLUAOD-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000431861775 429787609 /nfs/dbraw/zinc/78/76/09/429787609.db2.gz VZMSAXCPJFUKPU-NJAFHUGGSA-N 2 1 317.477 2.621 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000432354035 429818275 /nfs/dbraw/zinc/81/82/75/429818275.db2.gz SEILFCWEODBHBB-HOTGVXAUSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000432354035 429818279 /nfs/dbraw/zinc/81/82/79/429818279.db2.gz SEILFCWEODBHBB-HOTGVXAUSA-N 2 1 308.441 2.847 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@@H](C)C1 ZINC000527927998 429821494 /nfs/dbraw/zinc/82/14/94/429821494.db2.gz DAFGUKRPFLCQNY-RLFYNMQTSA-N 2 1 304.434 2.536 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCOC2)[C@@H](C)C1 ZINC000527923652 429821849 /nfs/dbraw/zinc/82/18/49/429821849.db2.gz DIBWWEGRMVEJQJ-KSZLIROESA-N 2 1 312.498 2.530 20 0 DFADMP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CC[N@H+]1C1CCCCC1 ZINC000527946601 429825116 /nfs/dbraw/zinc/82/51/16/429825116.db2.gz HTWWGODESYKUGI-LJQANCHMSA-N 2 1 305.510 2.857 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976293 429829228 /nfs/dbraw/zinc/82/92/28/429829228.db2.gz DJKVKUAKERHXGE-IZIZEDOESA-N 2 1 300.446 2.666 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976295 429829261 /nfs/dbraw/zinc/82/92/61/429829261.db2.gz DJKVKUAKERHXGE-WEOZKBJRSA-N 2 1 300.446 2.666 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@@H](C)C1 ZINC000527998361 429833519 /nfs/dbraw/zinc/83/35/19/429833519.db2.gz MFGONXWPTUADEO-FJIDUMEYSA-N 2 1 312.498 2.669 20 0 DFADMP CC/C=C/CC[N@H+]1CCC[C@H](CN2CCCN(C(C)=O)CC2)C1 ZINC000451528662 429844456 /nfs/dbraw/zinc/84/44/56/429844456.db2.gz LSPJMWJDWJRSAK-PXPVJAHISA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C/CC[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528662 429844457 /nfs/dbraw/zinc/84/44/57/429844457.db2.gz LSPJMWJDWJRSAK-PXPVJAHISA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C/CC[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000451528662 429844460 /nfs/dbraw/zinc/84/44/60/429844460.db2.gz LSPJMWJDWJRSAK-PXPVJAHISA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C/CC[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528662 429844462 /nfs/dbraw/zinc/84/44/62/429844462.db2.gz LSPJMWJDWJRSAK-PXPVJAHISA-N 2 1 321.509 2.609 20 0 DFADMP CC/C=C/CC[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000451528662 429844466 /nfs/dbraw/zinc/84/44/66/429844466.db2.gz LSPJMWJDWJRSAK-PXPVJAHISA-N 2 1 321.509 2.609 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529152 429844615 /nfs/dbraw/zinc/84/46/15/429844615.db2.gz MJFKJSFCZHCMET-MJGOQNOKSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529152 429844618 /nfs/dbraw/zinc/84/46/18/429844618.db2.gz MJFKJSFCZHCMET-MJGOQNOKSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529152 429844621 /nfs/dbraw/zinc/84/46/21/429844621.db2.gz MJFKJSFCZHCMET-MJGOQNOKSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+]([C@H](C)CC(C)C)C2)CC1 ZINC000451529152 429844623 /nfs/dbraw/zinc/84/46/23/429844623.db2.gz MJFKJSFCZHCMET-MJGOQNOKSA-N 2 1 323.525 2.687 20 0 DFADMP O[C@@]1(c2ccc(F)cc2)CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000368421303 429846894 /nfs/dbraw/zinc/84/68/94/429846894.db2.gz ZKCYLWZSPIVKLO-SFHVURJKSA-N 2 1 306.425 2.595 20 0 DFADMP O[C@@]1(c2ccc(F)cc2)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000368421303 429846898 /nfs/dbraw/zinc/84/68/98/429846898.db2.gz ZKCYLWZSPIVKLO-SFHVURJKSA-N 2 1 306.425 2.595 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C1 ZINC000368434524 429849048 /nfs/dbraw/zinc/84/90/48/429849048.db2.gz PMBLTRLSIZFBSP-LMMKCTJWSA-N 2 1 324.472 2.871 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000368445212 429850335 /nfs/dbraw/zinc/85/03/35/429850335.db2.gz ITNNDCRKWAOJEX-SOLBZPMBSA-N 2 1 315.461 2.644 20 0 DFADMP CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000493953589 429851079 /nfs/dbraw/zinc/85/10/79/429851079.db2.gz VJXBRWRMHQFYFE-HPFXQQBRSA-N 2 1 317.477 2.654 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000368445211 429851135 /nfs/dbraw/zinc/85/11/35/429851135.db2.gz ITNNDCRKWAOJEX-RYRKJORJSA-N 2 1 315.461 2.644 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)[NH+]1CCCCC1 ZINC000368460648 429852938 /nfs/dbraw/zinc/85/29/38/429852938.db2.gz AUEFYGXNSAYEJI-QGZVFWFLSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1cc([C@H]2CCC[N@@H+]2CCCN2CC[NH+](C(C)C)CC2)no1 ZINC000368520710 429860847 /nfs/dbraw/zinc/86/08/47/429860847.db2.gz XWDNFZUVAVQCFS-GOSISDBHSA-N 2 1 320.481 2.536 20 0 DFADMP CC(C)n1cc(CNC[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)nn1 ZINC000368559254 429866589 /nfs/dbraw/zinc/86/65/89/429866589.db2.gz ZOANBQUNTCWTAX-SJLPKXTDSA-N 2 1 313.449 2.642 20 0 DFADMP CO[C@H](CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000528408371 429886185 /nfs/dbraw/zinc/88/61/85/429886185.db2.gz UQACDEIELRBHCE-BPQIPLTHSA-N 2 1 306.425 2.929 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1OC(C)C ZINC000368845313 429898145 /nfs/dbraw/zinc/89/81/45/429898145.db2.gz LMNCUCNAVYIFLQ-OAHLLOKOSA-N 2 1 315.417 2.784 20 0 DFADMP COc1cccc(C[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000368874657 429899208 /nfs/dbraw/zinc/89/92/08/429899208.db2.gz HRLSWNKBPUQFBO-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP COc1cccc(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)c1 ZINC000368874657 429899211 /nfs/dbraw/zinc/89/92/11/429899211.db2.gz HRLSWNKBPUQFBO-UHFFFAOYSA-N 2 1 318.461 2.770 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)CC[C@H]3CCCO3)CC2)nc(C)[nH+]1 ZINC000368948068 429903464 /nfs/dbraw/zinc/90/34/64/429903464.db2.gz AXEUBHPXSPGQOA-QGZVFWFLSA-N 2 1 318.465 2.563 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CC[C@H]3CCCO3)CC2)nc(C)[nH+]1 ZINC000368948068 429903466 /nfs/dbraw/zinc/90/34/66/429903466.db2.gz AXEUBHPXSPGQOA-QGZVFWFLSA-N 2 1 318.465 2.563 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000369021048 429908301 /nfs/dbraw/zinc/90/83/01/429908301.db2.gz GXFAIHFYTGZEQA-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745440 429911493 /nfs/dbraw/zinc/91/14/93/429911493.db2.gz PVOUMRDQRJMGDI-ROUUACIJSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745440 429911494 /nfs/dbraw/zinc/91/14/94/429911494.db2.gz PVOUMRDQRJMGDI-ROUUACIJSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745440 429911495 /nfs/dbraw/zinc/91/14/95/429911495.db2.gz PVOUMRDQRJMGDI-ROUUACIJSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(F)cc2)C1(C)C)C1CC1 ZINC000528745440 429911497 /nfs/dbraw/zinc/91/14/97/429911497.db2.gz PVOUMRDQRJMGDI-ROUUACIJSA-N 2 1 320.452 2.849 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000369199609 429918977 /nfs/dbraw/zinc/91/89/77/429918977.db2.gz YOHWCZMHZPLPPB-UHFFFAOYSA-N 2 1 316.445 2.781 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000369328466 429924013 /nfs/dbraw/zinc/92/40/13/429924013.db2.gz BDZYTGYKENZEAW-ROUUACIJSA-N 2 1 304.503 2.894 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000369348042 429928009 /nfs/dbraw/zinc/92/80/09/429928009.db2.gz GUNISXKJLTXSQQ-SLFFLAALSA-N 2 1 316.489 2.975 20 0 DFADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000494467950 429875210 /nfs/dbraw/zinc/87/52/10/429875210.db2.gz GYHQOSIUILRGTA-ILXRZTDVSA-N 2 1 313.486 2.610 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C2(CO)CCC2)CC1 ZINC000368606034 429876501 /nfs/dbraw/zinc/87/65/01/429876501.db2.gz CJJGPDNRSGHEAS-UHFFFAOYSA-N 2 1 302.462 2.934 20 0 DFADMP CN(C)CC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000558253777 429965760 /nfs/dbraw/zinc/96/57/60/429965760.db2.gz FAADWEWOGUQVMT-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCN[C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000558253777 429965762 /nfs/dbraw/zinc/96/57/62/429965762.db2.gz FAADWEWOGUQVMT-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000558253777 429965764 /nfs/dbraw/zinc/96/57/64/429965764.db2.gz FAADWEWOGUQVMT-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000558348675 429967390 /nfs/dbraw/zinc/96/73/90/429967390.db2.gz CMJKTDNYNVWJEK-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)Nc3ccc(F)cc3)C2)CC1 ZINC000639757156 429970124 /nfs/dbraw/zinc/97/01/24/429970124.db2.gz HLCJDWHOXMLQPX-UHFFFAOYSA-N 2 1 319.424 2.572 20 0 DFADMP CN(CC[N@H+]1CCC2(C1)CC[NH+](C)CC2)Cc1ccccc1 ZINC000639755770 429971551 /nfs/dbraw/zinc/97/15/51/429971551.db2.gz MPSJLCANWLBTJP-UHFFFAOYSA-N 2 1 301.478 2.536 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CCC(=O)Nc3ccccc3F)C2)CC1 ZINC000639758227 429972843 /nfs/dbraw/zinc/97/28/43/429972843.db2.gz RBSYHOVWTGKLIP-UHFFFAOYSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC2(CC[N@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000639759733 429973206 /nfs/dbraw/zinc/97/32/06/429973206.db2.gz IANBMNHUZYNOIU-UHFFFAOYSA-N 2 1 318.446 2.716 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(-c4cccs4)no3)C2)CC1 ZINC000639759733 429973209 /nfs/dbraw/zinc/97/32/09/429973209.db2.gz IANBMNHUZYNOIU-UHFFFAOYSA-N 2 1 318.446 2.716 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)c(C)c1 ZINC000573740274 429978677 /nfs/dbraw/zinc/97/86/77/429978677.db2.gz GMCOUUQCGZJFEF-UHFFFAOYSA-N 2 1 304.478 2.937 20 0 DFADMP CCC[C@@H](C)N(C)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000557522782 429942966 /nfs/dbraw/zinc/94/29/66/429942966.db2.gz DUKIMSPLHIBKDX-MRXNPFEDSA-N 2 1 323.525 2.830 20 0 DFADMP CCc1noc(C)c1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639681998 429944395 /nfs/dbraw/zinc/94/43/95/429944395.db2.gz DLYFBDCCFKMAGL-UHFFFAOYSA-N 2 1 300.406 2.653 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639682715 429945169 /nfs/dbraw/zinc/94/51/69/429945169.db2.gz KUNSYQALQIEENV-UHFFFAOYSA-N 2 1 324.428 2.752 20 0 DFADMP CCOc1ccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)nc1 ZINC000639683386 429946177 /nfs/dbraw/zinc/94/61/77/429946177.db2.gz XTVYQOMTKLVIAA-UHFFFAOYSA-N 2 1 312.417 2.588 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000529621909 430041735 /nfs/dbraw/zinc/04/17/35/430041735.db2.gz OJORVYURWAGQLK-QGZVFWFLSA-N 2 1 301.434 2.711 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3cc[nH]c3c2)CCO1 ZINC000529621909 430041738 /nfs/dbraw/zinc/04/17/38/430041738.db2.gz OJORVYURWAGQLK-QGZVFWFLSA-N 2 1 301.434 2.711 20 0 DFADMP Cn1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000574453587 430044311 /nfs/dbraw/zinc/04/43/11/430044311.db2.gz TZAAJPXYELCMND-PKOBYXMFSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)n1 ZINC000574453587 430044316 /nfs/dbraw/zinc/04/43/16/430044316.db2.gz TZAAJPXYELCMND-PKOBYXMFSA-N 2 1 312.461 2.592 20 0 DFADMP CCn1nccc1CC[NH+]1CCC(CC)([NH+]2CCCC2)CC1 ZINC000639986453 430045428 /nfs/dbraw/zinc/04/54/28/430045428.db2.gz NCXYHLLOZFSUNK-UHFFFAOYSA-N 2 1 304.482 2.786 20 0 DFADMP C[C@@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000573931008 429996264 /nfs/dbraw/zinc/99/62/64/429996264.db2.gz IDEPQWOZWSYCSF-GDBMZVCRSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000573931008 429996267 /nfs/dbraw/zinc/99/62/67/429996267.db2.gz IDEPQWOZWSYCSF-GDBMZVCRSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000573982456 430001350 /nfs/dbraw/zinc/00/13/50/430001350.db2.gz DENUWSWGAGUGCX-NEPJUHHUSA-N 2 1 324.266 2.979 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)cn1 ZINC000573982456 430001354 /nfs/dbraw/zinc/00/13/54/430001354.db2.gz DENUWSWGAGUGCX-NEPJUHHUSA-N 2 1 324.266 2.979 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)c1 ZINC000574092034 430008958 /nfs/dbraw/zinc/00/89/58/430008958.db2.gz QZFGFRIJLAQMIE-HNNXBMFYSA-N 2 1 306.425 2.998 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)ccn1 ZINC000559917490 430015988 /nfs/dbraw/zinc/01/59/88/430015988.db2.gz PUKYXZBMLWDNFG-XHSDSOJGSA-N 2 1 321.465 2.630 20 0 DFADMP Cc1ncc([C@@H](C)NC[C@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000634726944 430090705 /nfs/dbraw/zinc/09/07/05/430090705.db2.gz GSTUSEAIZZMXLF-CJNGLKHVSA-N 2 1 319.474 2.595 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]C[C@H](O)CN(C)Cc2ccccc2)s1 ZINC000634726944 430090708 /nfs/dbraw/zinc/09/07/08/430090708.db2.gz GSTUSEAIZZMXLF-CJNGLKHVSA-N 2 1 319.474 2.595 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)O[C@H](C)C2 ZINC000634732307 430093662 /nfs/dbraw/zinc/09/36/62/430093662.db2.gz CMGXDLIAEBBJRH-CJNGLKHVSA-N 2 1 318.461 2.886 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccc(F)c2)CC1 ZINC000640136033 430096357 /nfs/dbraw/zinc/09/63/57/430096357.db2.gz MUCHYYUNFPQLSS-UHFFFAOYSA-N 2 1 316.424 2.933 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H](C)c2c[nH+]ccc2N)OC)c1 ZINC000530212034 430104455 /nfs/dbraw/zinc/10/44/55/430104455.db2.gz QALQCBHVXCIGQO-SJCJKPOMSA-N 2 1 301.390 2.541 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634761748 430107197 /nfs/dbraw/zinc/10/71/97/430107197.db2.gz IINVFEMWCUUOOI-DLBZAZTESA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530239681 430107603 /nfs/dbraw/zinc/10/76/03/430107603.db2.gz GZNYUNDIIGCMKO-MRXNPFEDSA-N 2 1 323.506 2.857 20 0 DFADMP C[C@@]1(CC[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634649037 430065201 /nfs/dbraw/zinc/06/52/01/430065201.db2.gz FDTISNCXNMVSPX-IAGOWNOFSA-N 2 1 324.415 2.648 20 0 DFADMP C[C@@]1(CC[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634649037 430065205 /nfs/dbraw/zinc/06/52/05/430065205.db2.gz FDTISNCXNMVSPX-IAGOWNOFSA-N 2 1 324.415 2.648 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000530354789 430113512 /nfs/dbraw/zinc/11/35/12/430113512.db2.gz BFSMLIMBYLOMGW-AEFFLSMTSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000530354789 430113516 /nfs/dbraw/zinc/11/35/16/430113516.db2.gz BFSMLIMBYLOMGW-AEFFLSMTSA-N 2 1 312.461 2.605 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CC(C)(C)CO2)[C@H](C)C1 ZINC000634686659 430077899 /nfs/dbraw/zinc/07/78/99/430077899.db2.gz PJAGNGUEJDRJTR-IKGGRYGDSA-N 2 1 312.498 2.528 20 0 DFADMP O[C@]1(C[NH2+]C[C@@H]2Cc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000634699186 430082265 /nfs/dbraw/zinc/08/22/65/430082265.db2.gz GJFCCEQOGIFBEI-FPOVZHCZSA-N 2 1 322.452 2.553 20 0 DFADMP O[C@]1(C[NH2+]C[C@@H]2Cc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699186 430082267 /nfs/dbraw/zinc/08/22/67/430082267.db2.gz GJFCCEQOGIFBEI-FPOVZHCZSA-N 2 1 322.452 2.553 20 0 DFADMP O[C@@]1(C[NH2+]C[C@@H]2Cc3ccccc32)CC[N@H+](Cc2ccccc2)C1 ZINC000634699187 430082642 /nfs/dbraw/zinc/08/26/42/430082642.db2.gz GJFCCEQOGIFBEI-PZJWPPBQSA-N 2 1 322.452 2.553 20 0 DFADMP O[C@@]1(C[NH2+]C[C@@H]2Cc3ccccc32)CC[N@@H+](Cc2ccccc2)C1 ZINC000634699187 430082647 /nfs/dbraw/zinc/08/26/47/430082647.db2.gz GJFCCEQOGIFBEI-PZJWPPBQSA-N 2 1 322.452 2.553 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]CC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000580769674 430150372 /nfs/dbraw/zinc/15/03/72/430150372.db2.gz ZNUIQQRHVSCVTH-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580833675 430156809 /nfs/dbraw/zinc/15/68/09/430156809.db2.gz AHLCRZNZNNEUQQ-GOSISDBHSA-N 2 1 304.482 2.830 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000580833675 430156812 /nfs/dbraw/zinc/15/68/12/430156812.db2.gz AHLCRZNZNNEUQQ-GOSISDBHSA-N 2 1 304.482 2.830 20 0 DFADMP CCC(C)(C)NC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637877181 430156817 /nfs/dbraw/zinc/15/68/17/430156817.db2.gz RRJNWJSUPJSQBT-UHFFFAOYSA-N 2 1 317.477 2.675 20 0 DFADMP Cc1csc([C@@H]2CCC[N@@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000580960505 430165460 /nfs/dbraw/zinc/16/54/60/430165460.db2.gz PGGPFOAWPAGXEF-CQSZACIVSA-N 2 1 304.463 2.997 20 0 DFADMP Cc1csc([C@@H]2CCC[N@H+](CCCc3c[nH+]cn3C)C2)n1 ZINC000580960505 430165465 /nfs/dbraw/zinc/16/54/65/430165465.db2.gz PGGPFOAWPAGXEF-CQSZACIVSA-N 2 1 304.463 2.997 20 0 DFADMP CCC[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C(C)C ZINC000535723658 430167516 /nfs/dbraw/zinc/16/75/16/430167516.db2.gz IVQHMDCXXBKVST-HNNXBMFYSA-N 2 1 318.465 2.844 20 0 DFADMP Cc1c([C@@H](C)NC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccccc1 ZINC000562316864 430119482 /nfs/dbraw/zinc/11/94/82/430119482.db2.gz HESQUBIKQUBMSC-GDBMZVCRSA-N 2 1 313.449 2.568 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CCCO[C@H]2CCCCO2)CC1 ZINC000581142740 430183070 /nfs/dbraw/zinc/18/30/70/430183070.db2.gz COVHMTBBGSJQPX-SFHVURJKSA-N 2 1 312.498 2.972 20 0 DFADMP Cc1cnc2cc(C(=O)NCCC[N@@H+]3CCCC[C@@H]3C)ccn12 ZINC000563370066 430183420 /nfs/dbraw/zinc/18/34/20/430183420.db2.gz OWWXNBRATCEMQP-AWEZNQCLSA-N 2 1 314.433 2.637 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330128 277060025 /nfs/dbraw/zinc/06/00/25/277060025.db2.gz QVEDRJBFIALDCC-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330128 277060027 /nfs/dbraw/zinc/06/00/27/277060027.db2.gz QVEDRJBFIALDCC-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)NC2CCCCC2)C1 ZINC000371330128 277060029 /nfs/dbraw/zinc/06/00/29/277060029.db2.gz QVEDRJBFIALDCC-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2ccc(F)cc2)CCOCC1 ZINC000293283939 277061841 /nfs/dbraw/zinc/06/18/41/277061841.db2.gz OGHYANZUSOAHMP-GOSISDBHSA-N 2 1 320.452 2.991 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN([C@H]3CC[NH+](Cc4ccccc4)C3)CC[C@H]21 ZINC000271252645 277069730 /nfs/dbraw/zinc/06/97/30/277069730.db2.gz FWYBISBXNWNNKW-HSALFYBXSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]2CN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000271252645 277069731 /nfs/dbraw/zinc/06/97/31/277069731.db2.gz FWYBISBXNWNNKW-HSALFYBXSA-N 2 1 313.489 2.677 20 0 DFADMP C[NH+]1CCC[C@@H]2CN([C@H]3CC[N@@H+](Cc4ccccc4)C3)CC[C@H]21 ZINC000271252645 277069732 /nfs/dbraw/zinc/06/97/32/277069732.db2.gz FWYBISBXNWNNKW-HSALFYBXSA-N 2 1 313.489 2.677 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322553 277078120 /nfs/dbraw/zinc/07/81/20/277078120.db2.gz ZTQNLSBTTQSAGD-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322553 277078121 /nfs/dbraw/zinc/07/81/21/277078121.db2.gz ZTQNLSBTTQSAGD-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)N2CCCCCC2)C1 ZINC000371322553 277078122 /nfs/dbraw/zinc/07/81/22/277078122.db2.gz ZTQNLSBTTQSAGD-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@@H+]1CCC[C@]2(CCN(c3cc[nH+]cc3Br)C2)C1 ZINC000292737341 277087318 /nfs/dbraw/zinc/08/73/18/277087318.db2.gz IPSGURCIXXZVIW-AWEZNQCLSA-N 2 1 310.239 2.766 20 0 DFADMP C[N@H+]1CCC[C@]2(CCN(c3cc[nH+]cc3Br)C2)C1 ZINC000292737341 277087319 /nfs/dbraw/zinc/08/73/19/277087319.db2.gz IPSGURCIXXZVIW-AWEZNQCLSA-N 2 1 310.239 2.766 20 0 DFADMP c1ccc([C@H]2C[C@@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)CC[NH2+]2)cc1 ZINC000635005869 430194307 /nfs/dbraw/zinc/19/43/07/430194307.db2.gz XAWMCHCDMNHBFY-PZJWPPBQSA-N 3 1 321.468 2.915 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005632 430194377 /nfs/dbraw/zinc/19/43/77/430194377.db2.gz VUQKECUSDZVZFN-BXXUTWAOSA-N 3 1 315.505 2.862 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000635005632 430194382 /nfs/dbraw/zinc/19/43/82/430194382.db2.gz VUQKECUSDZVZFN-BXXUTWAOSA-N 2 1 315.505 2.862 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000634999032 430188926 /nfs/dbraw/zinc/18/89/26/430188926.db2.gz PAXOFKHMTDBIAE-OFQRWUPVSA-N 2 1 306.450 2.899 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000634998309 430189025 /nfs/dbraw/zinc/18/90/25/430189025.db2.gz DBLPUJCUPODLMY-DOMZBBRYSA-N 2 1 316.424 2.655 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)cc1OCC(C)C ZINC000634999535 430189217 /nfs/dbraw/zinc/18/92/17/430189217.db2.gz VWSJSQZXIYVQBA-GOEBONIOSA-N 2 1 306.450 2.757 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998863 430189307 /nfs/dbraw/zinc/18/93/07/430189307.db2.gz LZEDMZNDDZDQQX-PSASIEDQSA-N 2 1 303.269 2.846 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)s1 ZINC000634998863 430189308 /nfs/dbraw/zinc/18/93/08/430189308.db2.gz LZEDMZNDDZDQQX-PSASIEDQSA-N 2 1 303.269 2.846 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000634998766 430189464 /nfs/dbraw/zinc/18/94/64/430189464.db2.gz KPMPGXSBLMEVQA-DOTOQJQBSA-N 2 1 310.445 2.876 20 0 DFADMP OCC[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000634997533 430190171 /nfs/dbraw/zinc/19/01/71/430190171.db2.gz NNCJTJMQOJFDLM-IUODEOHRSA-N 2 1 300.805 2.634 20 0 DFADMP C[C@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)[C@@H]1CCC[NH2+]C1 ZINC000634998020 430190369 /nfs/dbraw/zinc/19/03/69/430190369.db2.gz YSKBVJTUFNKSSH-NJZAAPMLSA-N 2 1 316.367 2.717 20 0 DFADMP C[C@H](C(=O)Nc1nccs1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533825 430191908 /nfs/dbraw/zinc/19/19/08/430191908.db2.gz WQYSPNVBLLQDIJ-CQSZACIVSA-N 2 1 324.494 2.668 20 0 DFADMP C[C@H](C(=O)Nc1nccs1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533825 430191911 /nfs/dbraw/zinc/19/19/11/430191911.db2.gz WQYSPNVBLLQDIJ-CQSZACIVSA-N 2 1 324.494 2.668 20 0 DFADMP C[C@H]([NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000635003498 430192133 /nfs/dbraw/zinc/19/21/33/430192133.db2.gz KFMKYVRHAQSKCE-DTNAEXMBSA-N 2 1 321.262 2.817 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)CC[NH2+]2)cc1 ZINC000635005871 430193306 /nfs/dbraw/zinc/19/33/06/430193306.db2.gz XAWMCHCDMNHBFY-TZIWHRDSSA-N 3 1 321.468 2.915 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN[C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953377 430196681 /nfs/dbraw/zinc/19/66/81/430196681.db2.gz KJHYEKUEYZUDKB-GJZGRUSLSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953377 430196685 /nfs/dbraw/zinc/19/66/85/430196685.db2.gz KJHYEKUEYZUDKB-GJZGRUSLSA-N 2 1 316.367 2.813 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](CO)c1ccc(C(F)(F)F)cc1 ZINC000541953377 430196689 /nfs/dbraw/zinc/19/66/89/430196689.db2.gz KJHYEKUEYZUDKB-GJZGRUSLSA-N 2 1 316.367 2.813 20 0 DFADMP C[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)c1c[nH+]ccc1N ZINC000635014509 430197924 /nfs/dbraw/zinc/19/79/24/430197924.db2.gz WJVFICHVQTXUSG-AAEUAGOBSA-N 2 1 305.809 2.574 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000354491950 277325708 /nfs/dbraw/zinc/32/57/08/277325708.db2.gz DJYFQYVWEVMGHC-NQMMUZQISA-N 2 1 308.466 2.569 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000354491950 277325709 /nfs/dbraw/zinc/32/57/09/277325709.db2.gz DJYFQYVWEVMGHC-NQMMUZQISA-N 2 1 308.466 2.569 20 0 DFADMP COC(=O)[C@@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291471320 277338505 /nfs/dbraw/zinc/33/85/05/277338505.db2.gz PEDSXXMISPGGJY-MRXNPFEDSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)[C@@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291471320 277338506 /nfs/dbraw/zinc/33/85/06/277338506.db2.gz PEDSXXMISPGGJY-MRXNPFEDSA-N 2 1 316.445 2.536 20 0 DFADMP c1ccc([C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000542670134 430219913 /nfs/dbraw/zinc/21/99/13/430219913.db2.gz BTFIJSSXVZGPDM-KXBFYZLASA-N 2 1 308.429 2.640 20 0 DFADMP c1ccc([C@@H](NC[C@@H]2CC[N@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000542670133 430220124 /nfs/dbraw/zinc/22/01/24/430220124.db2.gz BTFIJSSXVZGPDM-HNAYVOBHSA-N 2 1 308.429 2.640 20 0 DFADMP CC(C)CN1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294281329 277385962 /nfs/dbraw/zinc/38/59/62/277385962.db2.gz SSKVMZBTQMIVKY-UHFFFAOYSA-N 2 1 316.493 2.760 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000542484976 430213865 /nfs/dbraw/zinc/21/38/65/430213865.db2.gz CNOWGCBILMJPCX-YJBOKZPZSA-N 2 1 314.433 2.559 20 0 DFADMP C[C@@H]1C[C@H](N(C)Cc2ccccc2OCCCCO)CC[N@H+]1C ZINC000638118322 430241684 /nfs/dbraw/zinc/24/16/84/430241684.db2.gz XLCYVQULJSKMAW-SJLPKXTDSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)Cc2ccccc2OCCCCO)CCN1C ZINC000638118322 430241688 /nfs/dbraw/zinc/24/16/88/430241688.db2.gz XLCYVQULJSKMAW-SJLPKXTDSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCCCCO)CCN1C ZINC000638118322 430241692 /nfs/dbraw/zinc/24/16/92/430241692.db2.gz XLCYVQULJSKMAW-SJLPKXTDSA-N 2 1 320.477 2.752 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230456 430249137 /nfs/dbraw/zinc/24/91/37/430249137.db2.gz XJVVLVZVWFJYOC-LJQANCHMSA-N 2 1 310.445 2.961 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000566230456 430249142 /nfs/dbraw/zinc/24/91/42/430249142.db2.gz XJVVLVZVWFJYOC-LJQANCHMSA-N 2 1 310.445 2.961 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000566415096 430257275 /nfs/dbraw/zinc/25/72/75/430257275.db2.gz WXGSOESBNRQLHX-LJQANCHMSA-N 2 1 313.445 2.686 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](CCc1ccccc1)[C@@H]1CCOC1 ZINC000566415096 430257278 /nfs/dbraw/zinc/25/72/78/430257278.db2.gz WXGSOESBNRQLHX-LJQANCHMSA-N 2 1 313.445 2.686 20 0 DFADMP Cn1cc([C@@H]([NH2+]C2CC[NH+](CC3CC3)CC2)C(C)(C)C)cn1 ZINC000544017902 430270527 /nfs/dbraw/zinc/27/05/27/430270527.db2.gz MVKIRYYNCQAOPC-QGZVFWFLSA-N 2 1 304.482 2.971 20 0 DFADMP O[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1cccc(Cl)c1 ZINC000582236573 430280095 /nfs/dbraw/zinc/28/00/95/430280095.db2.gz CDJYGFMKCKFOQL-DAWZGUTISA-N 2 1 322.880 2.850 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnc(-c2ccccn2)s1 ZINC000582268870 430283422 /nfs/dbraw/zinc/28/34/22/430283422.db2.gz GXCNTZVIHADVNJ-CZUORRHYSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000582268870 430283425 /nfs/dbraw/zinc/28/34/25/430283425.db2.gz GXCNTZVIHADVNJ-CZUORRHYSA-N 2 1 316.474 2.977 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnc(-c2ccccn2)s1 ZINC000582268870 430283428 /nfs/dbraw/zinc/28/34/28/430283428.db2.gz GXCNTZVIHADVNJ-CZUORRHYSA-N 2 1 316.474 2.977 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000581654653 430229225 /nfs/dbraw/zinc/22/92/25/430229225.db2.gz IRHQMWNAYNYQGL-JKSUJKDBSA-N 2 1 320.477 2.875 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c3c(nn2C)CCCC3)C[C@@H]1C ZINC000638109774 430238014 /nfs/dbraw/zinc/23/80/14/430238014.db2.gz GRCYYOWTQVPMBZ-LSDHHAIUSA-N 2 1 304.482 2.604 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)c2oc(C[NH3+])cc2C)C1 ZINC000638112929 430240052 /nfs/dbraw/zinc/24/00/52/430240052.db2.gz XGHFLGLDKADCQH-AWEZNQCLSA-N 2 1 321.465 2.677 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccccc1C[NH+](C)C ZINC000635265192 430240604 /nfs/dbraw/zinc/24/06/04/430240604.db2.gz VQUAFIVVYQQTRD-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP Cc1nccc(N2CCN(Cc3ccnc4ccccc34)CC2)n1 ZINC000546255370 430349240 /nfs/dbraw/zinc/34/92/40/430349240.db2.gz GSTGKJDCQAZLQG-UHFFFAOYSA-N 2 1 319.412 2.655 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(CC[NH+](C)C)cc1 ZINC000635490075 430292496 /nfs/dbraw/zinc/29/24/96/430292496.db2.gz RLEKTLUTSCVHHW-UHFFFAOYSA-N 2 1 314.433 2.749 20 0 DFADMP c1nc(-c2ccncc2)sc1C[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582360687 430293002 /nfs/dbraw/zinc/29/30/02/430293002.db2.gz ZNACQSTTYVAVRI-QGZVFWFLSA-N 2 1 314.458 2.781 20 0 DFADMP c1nc(-c2ccncc2)sc1C[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000582360687 430293006 /nfs/dbraw/zinc/29/30/06/430293006.db2.gz ZNACQSTTYVAVRI-QGZVFWFLSA-N 2 1 314.458 2.781 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc([C@H]([NH3+])c2ccccc2)nn1 ZINC000641169111 430350090 /nfs/dbraw/zinc/35/00/90/430350090.db2.gz KCGORHLDXLUZJG-SJLPKXTDSA-N 2 1 313.449 2.589 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC000582369543 430294589 /nfs/dbraw/zinc/29/45/89/430294589.db2.gz OQKIQPDVJOGDAF-HOTGVXAUSA-N 2 1 321.509 2.582 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638289394 430295194 /nfs/dbraw/zinc/29/51/94/430295194.db2.gz HPKMZKLTADPLNU-IEBWSBKVSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638303511 430299072 /nfs/dbraw/zinc/29/90/72/430299072.db2.gz REDVPFBSHGFOIB-ZDUSSCGKSA-N 2 1 313.392 2.598 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1cccn(C(F)F)c1=O ZINC000638303511 430299076 /nfs/dbraw/zinc/29/90/76/430299076.db2.gz REDVPFBSHGFOIB-ZDUSSCGKSA-N 2 1 313.392 2.598 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC1(F)F ZINC000638304960 430299761 /nfs/dbraw/zinc/29/97/61/430299761.db2.gz NODGWRBGXAQIMN-BBRMVZONSA-N 2 1 310.388 2.652 20 0 DFADMP C[N@@H+](CCC[NH2+]Cc1c[nH]c2ncncc12)Cc1ccccc1 ZINC000638309921 430300846 /nfs/dbraw/zinc/30/08/46/430300846.db2.gz RBCMKWMNKXZIAN-UHFFFAOYSA-N 2 1 309.417 2.521 20 0 DFADMP OCc1ccc(C[NH2+]CCC[N@@H+]2CCc3ccccc3C2)cc1 ZINC000638335141 430307955 /nfs/dbraw/zinc/30/79/55/430307955.db2.gz HKZOOOIRQMWXEX-UHFFFAOYSA-N 2 1 310.441 2.717 20 0 DFADMP OCc1ccc(C[NH2+]CCC[N@H+]2CCc3ccccc3C2)cc1 ZINC000638335141 430307957 /nfs/dbraw/zinc/30/79/57/430307957.db2.gz HKZOOOIRQMWXEX-UHFFFAOYSA-N 2 1 310.441 2.717 20 0 DFADMP CC[NH+](CC)[C@H](C[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1)CC(C)C ZINC000638354005 430313705 /nfs/dbraw/zinc/31/37/05/430313705.db2.gz UOUQXIDBRCVXNT-ULQDDVLXSA-N 2 1 311.514 2.780 20 0 DFADMP CC[C@@H](C[NH2+]C[C@@H]1CCN(c2ccccc2)C1)[NH+]1CCCC1 ZINC000638354475 430313999 /nfs/dbraw/zinc/31/39/99/430313999.db2.gz NUICVSAZOFOPJT-ROUUACIJSA-N 2 1 301.478 2.977 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)CC[N@@H+]2C2CC2)cc1 ZINC000638360903 430317842 /nfs/dbraw/zinc/31/78/42/430317842.db2.gz JPVLXTANRLGEEC-IEZWGBDMSA-N 2 1 300.446 2.981 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@@H]3CCOC3)CC[N@H+]2C2CC2)cc1 ZINC000638360903 430317843 /nfs/dbraw/zinc/31/78/43/430317843.db2.gz JPVLXTANRLGEEC-IEZWGBDMSA-N 2 1 300.446 2.981 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[C@]12CCCO2 ZINC000638366293 430318684 /nfs/dbraw/zinc/31/86/84/430318684.db2.gz MZBYCPBDSBNWQG-WJFTUGDTSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]CCCc2cnn(C)c2)C1 ZINC000638368574 430319484 /nfs/dbraw/zinc/31/94/84/430319484.db2.gz ASJNYCKFUSGTNZ-CALCHBBNSA-N 2 1 306.498 2.700 20 0 DFADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638369942 430320224 /nfs/dbraw/zinc/32/02/24/430320224.db2.gz JPCMSJXACAKLMM-MHORFTMASA-N 2 1 323.525 2.781 20 0 DFADMP COCC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000568167569 430323098 /nfs/dbraw/zinc/32/30/98/430323098.db2.gz JCRTZNPGTGGVKY-QZTJIDSGSA-N 2 1 322.493 2.611 20 0 DFADMP COCC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1cccc(C)c1)C(C)(C)C ZINC000568167569 430323103 /nfs/dbraw/zinc/32/31/03/430323103.db2.gz JCRTZNPGTGGVKY-QZTJIDSGSA-N 2 1 322.493 2.611 20 0 DFADMP CCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000568183364 430327359 /nfs/dbraw/zinc/32/73/59/430327359.db2.gz RPHVJBHKCGWKGP-KRWDZBQOSA-N 2 1 305.466 2.526 20 0 DFADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@H+](C)C1 ZINC000545866796 430329626 /nfs/dbraw/zinc/32/96/26/430329626.db2.gz YSVDCFTWWCPCKV-MSOLQXFVSA-N 2 1 324.896 2.953 20 0 DFADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@]1(O)CC[N@@H+](C)C1 ZINC000545866796 430329630 /nfs/dbraw/zinc/32/96/30/430329630.db2.gz YSVDCFTWWCPCKV-MSOLQXFVSA-N 2 1 324.896 2.953 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638409112 430333409 /nfs/dbraw/zinc/33/34/09/430333409.db2.gz JDRPFTQHXDEFNG-MSOLQXFVSA-N 2 1 301.478 2.834 20 0 DFADMP CO[C@H](C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@@H]1CCOC1 ZINC000638434120 430340955 /nfs/dbraw/zinc/34/09/55/430340955.db2.gz HSYFANSKPFAYOF-RTBURBONSA-N 2 1 320.477 2.668 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638450781 430346955 /nfs/dbraw/zinc/34/69/55/430346955.db2.gz HMJOWOLUXXRLHY-MSOLQXFVSA-N 2 1 301.478 2.834 20 0 DFADMP Cc1cc(C)c(Cn2cc(CC[NH+]3CCCCC3)nn2)c(C)[nH+]1 ZINC000641187270 430358762 /nfs/dbraw/zinc/35/87/62/430358762.db2.gz IBDCJCKGCSSDJF-UHFFFAOYSA-N 2 1 313.449 2.675 20 0 DFADMP CO[C@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)C1CC1 ZINC000638523308 430366810 /nfs/dbraw/zinc/36/68/10/430366810.db2.gz GJKKXMUFRPAEPB-QGZVFWFLSA-N 2 1 321.465 2.518 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]Cc3ccns3)CC2)oc1C ZINC000638524487 430367054 /nfs/dbraw/zinc/36/70/54/430367054.db2.gz OVVTYTGMPISANF-UHFFFAOYSA-N 2 1 320.462 2.750 20 0 DFADMP CC[C@@](C)(C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521994 430367618 /nfs/dbraw/zinc/36/76/18/430367618.db2.gz TXZRSUVRBHRUSQ-OALUTQOASA-N 2 1 304.478 2.956 20 0 DFADMP CCC[C@H](C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)OC ZINC000638521309 430367715 /nfs/dbraw/zinc/36/77/15/430367715.db2.gz GKIJCECOKDENHP-RTBURBONSA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2c(C)nsc2C)C1 ZINC000583212084 430373608 /nfs/dbraw/zinc/37/36/08/430373608.db2.gz ITZWMFHRTJRBCY-OAHLLOKOSA-N 2 1 311.495 2.693 20 0 DFADMP CC[N@H+](Cc1nc(-c2cccc(-n3ccnc3)c2)no1)C1CC1 ZINC000547109427 430378015 /nfs/dbraw/zinc/37/80/15/430378015.db2.gz DDQDXCACXXRTHA-UHFFFAOYSA-N 2 1 309.373 2.907 20 0 DFADMP CC[N@@H+](Cc1nc(-c2cccc(-n3ccnc3)c2)no1)C1CC1 ZINC000547109427 430378019 /nfs/dbraw/zinc/37/80/19/430378019.db2.gz DDQDXCACXXRTHA-UHFFFAOYSA-N 2 1 309.373 2.907 20 0 DFADMP CC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)COC1 ZINC000638595679 430384216 /nfs/dbraw/zinc/38/42/16/430384216.db2.gz VATCICGJIIZEPW-SJLPKXTDSA-N 2 1 300.446 2.981 20 0 DFADMP CC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)COC1 ZINC000638595679 430384219 /nfs/dbraw/zinc/38/42/19/430384219.db2.gz VATCICGJIIZEPW-SJLPKXTDSA-N 2 1 300.446 2.981 20 0 DFADMP CO[C@]1(C[NH2+]C2CC[NH+]([C@@H](C)c3ccccc3)CC2)CCOC1 ZINC000638613625 430389353 /nfs/dbraw/zinc/38/93/53/430389353.db2.gz ZDPMMRSZPVKJIN-LPHOPBHVSA-N 2 1 318.461 2.607 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccccc1CC[NH+](C)C ZINC000635836839 430390509 /nfs/dbraw/zinc/39/05/09/430390509.db2.gz YQKOLIODPWNZFY-UHFFFAOYSA-N 2 1 314.433 2.749 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1CCc2ccccc2C1 ZINC000638621323 430391086 /nfs/dbraw/zinc/39/10/86/430391086.db2.gz WEMUCGAJICFWRF-YLJYHZDGSA-N 2 1 316.489 2.618 20 0 DFADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CCC[C@H]2C[C@H]21 ZINC000568770010 430391204 /nfs/dbraw/zinc/39/12/04/430391204.db2.gz ZPTOHBKMNUKPLZ-OBZTUIKSSA-N 2 1 314.473 2.922 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000638619754 430391660 /nfs/dbraw/zinc/39/16/60/430391660.db2.gz NRXIRKWZDPNEHP-AEFFLSMTSA-N 2 1 300.446 2.859 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000638619754 430391664 /nfs/dbraw/zinc/39/16/64/430391664.db2.gz NRXIRKWZDPNEHP-AEFFLSMTSA-N 2 1 300.446 2.859 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000638619756 430391999 /nfs/dbraw/zinc/39/19/99/430391999.db2.gz NRXIRKWZDPNEHP-SJLPKXTDSA-N 2 1 300.446 2.859 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CCC1 ZINC000638619756 430392001 /nfs/dbraw/zinc/39/20/01/430392001.db2.gz NRXIRKWZDPNEHP-SJLPKXTDSA-N 2 1 300.446 2.859 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccco1 ZINC000583493855 430400779 /nfs/dbraw/zinc/40/07/79/430400779.db2.gz CKZFVSWLHRWLCJ-VDZJLULYSA-N 2 1 314.429 2.514 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000583508055 430403297 /nfs/dbraw/zinc/40/32/97/430403297.db2.gz YSBVWOPNWAKUDU-UHFFFAOYSA-N 2 1 324.428 2.566 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc2ccccc2n(C)c1=O ZINC000583508055 430403300 /nfs/dbraw/zinc/40/33/00/430403300.db2.gz YSBVWOPNWAKUDU-UHFFFAOYSA-N 2 1 324.428 2.566 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532754 430403484 /nfs/dbraw/zinc/40/34/84/430403484.db2.gz QJORPKWGNJWRLH-DOTOQJQBSA-N 2 1 307.482 2.718 20 0 DFADMP CO[C@]1(C[NH2+]C[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCOC1 ZINC000638669718 430403915 /nfs/dbraw/zinc/40/39/15/430403915.db2.gz AGEGRWACOMJXKS-PVAVHDDUSA-N 2 1 324.490 2.526 20 0 DFADMP CO[C@]1(C[NH2+]C[C@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCOC1 ZINC000638669718 430403919 /nfs/dbraw/zinc/40/39/19/430403919.db2.gz AGEGRWACOMJXKS-PVAVHDDUSA-N 2 1 324.490 2.526 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1)C1CCCCC1 ZINC000548060843 430443266 /nfs/dbraw/zinc/44/32/66/430443266.db2.gz SVDSXHCJKHXDNN-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000569360884 430448724 /nfs/dbraw/zinc/44/87/24/430448724.db2.gz YROWNSLJVVMWJN-QZTJIDSGSA-N 2 1 317.477 2.628 20 0 DFADMP CC(C)(C[NH3+])C(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850758 430454427 /nfs/dbraw/zinc/45/44/27/430454427.db2.gz GVBCYRYNPHZSEW-QGZVFWFLSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@](C)(O)C(F)(F)F)CC1 ZINC000358361231 277681306 /nfs/dbraw/zinc/68/13/06/277681306.db2.gz AWAGWSZTLOADAB-SNPRPXQTSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000569473797 430456736 /nfs/dbraw/zinc/45/67/36/430456736.db2.gz WFNRCBTYIDGDFJ-INIZCTEOSA-N 2 1 315.461 2.605 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]Cc1ccncc1N ZINC000641737446 430456881 /nfs/dbraw/zinc/45/68/81/430456881.db2.gz VLLBUSHCGIRWNJ-IGOJGBNBSA-N 2 1 324.472 2.910 20 0 DFADMP Nc1cnccc1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000641746655 430458383 /nfs/dbraw/zinc/45/83/83/430458383.db2.gz BSHATQFEQAVCMJ-NLWGTHIKSA-N 2 1 322.456 2.664 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CS[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000638873885 430464463 /nfs/dbraw/zinc/46/44/63/430464463.db2.gz MTRYYBFLKAACEP-SWLSCSKDSA-N 2 1 306.479 2.546 20 0 DFADMP CC[NH+](CC)CC[C@@H](CO)[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000641770446 430467613 /nfs/dbraw/zinc/46/76/13/430467613.db2.gz RZCIJDNRDRXPTC-NFAHFFEMSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000548389174 430468267 /nfs/dbraw/zinc/46/82/67/430468267.db2.gz BYNNPKWZUSCJAS-SJLPKXTDSA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC000548389174 430468271 /nfs/dbraw/zinc/46/82/71/430468271.db2.gz BYNNPKWZUSCJAS-SJLPKXTDSA-N 2 1 323.525 2.972 20 0 DFADMP CC[NH+]1CC[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)C[C@H]1C ZINC000548389174 430468276 /nfs/dbraw/zinc/46/82/76/430468276.db2.gz BYNNPKWZUSCJAS-SJLPKXTDSA-N 2 1 323.525 2.972 20 0 DFADMP C[N@@H+](CCCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000569687289 430477321 /nfs/dbraw/zinc/47/73/21/430477321.db2.gz RFHWTFFCEILMIF-QGZVFWFLSA-N 2 1 310.869 2.707 20 0 DFADMP CC(C)(C)[C@H](NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1cccs1 ZINC000641804206 430477998 /nfs/dbraw/zinc/47/79/98/430477998.db2.gz JNLCCMYFKWRPJE-UMVBOHGHSA-N 2 1 323.506 2.667 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+][C@H]1CCCN(c2ccccc2Cl)C1=O ZINC000641804663 430478243 /nfs/dbraw/zinc/47/82/43/430478243.db2.gz ZQZGZFXQOBIKID-CFVMTHIKSA-N 2 1 321.852 2.551 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])C2(C)C)c(C)c1 ZINC000641804313 430478643 /nfs/dbraw/zinc/47/86/43/430478643.db2.gz HLXHXISVOUVKSO-ZNMIVQPWSA-N 2 1 303.450 2.654 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH3+])[N@H+](CCc2nc(-c3ccccc3)no2)[C@H]1C ZINC000641810271 430480219 /nfs/dbraw/zinc/48/02/19/430480219.db2.gz UXFWKWFFJCZMPC-YCPHGPKFSA-N 2 1 314.433 2.727 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH3+])[N@@H+](CCc2nc(-c3ccccc3)no2)[C@H]1C ZINC000641810271 430480222 /nfs/dbraw/zinc/48/02/22/430480222.db2.gz UXFWKWFFJCZMPC-YCPHGPKFSA-N 2 1 314.433 2.727 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000547798653 430424163 /nfs/dbraw/zinc/42/41/63/430424163.db2.gz NVLNEGHLWSEEKW-SJORKVTESA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000583794410 430429815 /nfs/dbraw/zinc/42/98/15/430429815.db2.gz OWTZUMMTUIKCBY-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@H]1C(F)(F)F ZINC000641825491 430484316 /nfs/dbraw/zinc/48/43/16/430484316.db2.gz YCAIDCDJSABXLP-HZSPNIEDSA-N 2 1 320.399 2.937 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CC[C@H]1C(F)(F)F ZINC000641825491 430484318 /nfs/dbraw/zinc/48/43/18/430484318.db2.gz YCAIDCDJSABXLP-HZSPNIEDSA-N 2 1 320.399 2.937 20 0 DFADMP O=C(N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+]1C1CCCC1 ZINC000636203751 430485527 /nfs/dbraw/zinc/48/55/27/430485527.db2.gz YOVUEHAGFMKJQL-QAPCUYQASA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636203751 430485530 /nfs/dbraw/zinc/48/55/30/430485530.db2.gz YOVUEHAGFMKJQL-QAPCUYQASA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+]1C1CCCC1 ZINC000636203751 430485532 /nfs/dbraw/zinc/48/55/32/430485532.db2.gz YOVUEHAGFMKJQL-QAPCUYQASA-N 2 1 319.493 2.527 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnccn2)CC1 ZINC000569806992 430486551 /nfs/dbraw/zinc/48/65/51/430486551.db2.gz UMEFHKSHVBNXIQ-UHFFFAOYSA-N 2 1 310.445 2.821 20 0 DFADMP CSc1cc(Br)ccc1C[N@H+](C)CCC[NH3+] ZINC000570044423 430508091 /nfs/dbraw/zinc/50/80/91/430508091.db2.gz JOHQBLFXGLAQMK-UHFFFAOYSA-N 2 1 303.269 2.952 20 0 DFADMP CSc1cc(Br)ccc1C[N@@H+](C)CCC[NH3+] ZINC000570044423 430508096 /nfs/dbraw/zinc/50/80/96/430508096.db2.gz JOHQBLFXGLAQMK-UHFFFAOYSA-N 2 1 303.269 2.952 20 0 DFADMP CCC[C@@H](C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080638 430514235 /nfs/dbraw/zinc/51/42/35/430514235.db2.gz MMXABZYDRATYSP-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080638 430514238 /nfs/dbraw/zinc/51/42/38/430514238.db2.gz MMXABZYDRATYSP-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080638 430514242 /nfs/dbraw/zinc/51/42/42/430514242.db2.gz MMXABZYDRATYSP-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639080638 430514245 /nfs/dbraw/zinc/51/42/45/430514245.db2.gz MMXABZYDRATYSP-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639080638 430514249 /nfs/dbraw/zinc/51/42/49/430514249.db2.gz MMXABZYDRATYSP-MSOLQXFVSA-N 2 1 305.466 2.650 20 0 DFADMP C[N@@H+](Cc1ccc(C(F)F)nc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077898 430515281 /nfs/dbraw/zinc/51/52/81/430515281.db2.gz RUPSKROVKKBZGV-ZDUSSCGKSA-N 2 1 306.360 2.910 20 0 DFADMP C[N@H+](Cc1ccc(C(F)F)nc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639077898 430515284 /nfs/dbraw/zinc/51/52/84/430515284.db2.gz RUPSKROVKKBZGV-ZDUSSCGKSA-N 2 1 306.360 2.910 20 0 DFADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080346 430515538 /nfs/dbraw/zinc/51/55/38/430515538.db2.gz LGJLKGHOBFJTGJ-WDSOQIARSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080346 430515542 /nfs/dbraw/zinc/51/55/42/430515542.db2.gz LGJLKGHOBFJTGJ-WDSOQIARSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080346 430515544 /nfs/dbraw/zinc/51/55/44/430515544.db2.gz LGJLKGHOBFJTGJ-WDSOQIARSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639080346 430515546 /nfs/dbraw/zinc/51/55/46/430515546.db2.gz LGJLKGHOBFJTGJ-WDSOQIARSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639080346 430515549 /nfs/dbraw/zinc/51/55/49/430515549.db2.gz LGJLKGHOBFJTGJ-WDSOQIARSA-N 2 1 319.493 2.896 20 0 DFADMP CSC[C@@H](O)C[NH2+]C[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000570202539 430521549 /nfs/dbraw/zinc/52/15/49/430521549.db2.gz MZVLHTRZYSIQGQ-MSOLQXFVSA-N 2 1 322.518 2.602 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c(Cl)cc1O ZINC000639107465 430526147 /nfs/dbraw/zinc/52/61/47/430526147.db2.gz PKZPIGLURZQUPR-NSHDSACASA-N 2 1 321.808 2.603 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]C[C@@H]1CCN(c3ccccc3)C1)CC2 ZINC000639104302 430526409 /nfs/dbraw/zinc/52/64/09/430526409.db2.gz BAKHMLWSRQMZIL-IRXDYDNUSA-N 2 1 310.445 2.562 20 0 DFADMP [NH3+][C@@H]1CC[C@H](C(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)C1 ZINC000570329988 430532838 /nfs/dbraw/zinc/53/28/38/430532838.db2.gz QLKGJFCNZVJREO-QWHCGFSZSA-N 2 1 322.478 2.585 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CCC[C@H]2C[N@@H+](C)CC[C@H]21 ZINC000639180766 430559056 /nfs/dbraw/zinc/55/90/56/430559056.db2.gz YCMOCNWSYNBDDQ-HNAYVOBHSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000639180766 430559059 /nfs/dbraw/zinc/55/90/59/430559059.db2.gz YCMOCNWSYNBDDQ-HNAYVOBHSA-N 2 1 310.445 2.854 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)CC2 ZINC000639177828 430559151 /nfs/dbraw/zinc/55/91/51/430559151.db2.gz HKGXEMWMHMECEK-IAOVAPTHSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)[C@@H]1CC[NH+](C)C[C@@H]1C)CC2 ZINC000639177828 430559153 /nfs/dbraw/zinc/55/91/53/430559153.db2.gz HKGXEMWMHMECEK-IAOVAPTHSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@@H]1CC[N@H+](C)C[C@@H]1C)CC2 ZINC000639177828 430559155 /nfs/dbraw/zinc/55/91/55/430559155.db2.gz HKGXEMWMHMECEK-IAOVAPTHSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@@H]1CC[N@@H+](C)C[C@@H]1C)CC2 ZINC000639177828 430559157 /nfs/dbraw/zinc/55/91/57/430559157.db2.gz HKGXEMWMHMECEK-IAOVAPTHSA-N 2 1 318.461 2.963 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cccc2ncccc12)CC[NH+](C)C ZINC000639185439 430562426 /nfs/dbraw/zinc/56/24/26/430562426.db2.gz APFXMWLZWOZCGF-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@@H]2CCC2(C)C)c2cccs2)CC1 ZINC000551792960 430563897 /nfs/dbraw/zinc/56/38/97/430563897.db2.gz CSSUTYOMPJFQCN-GOEBONIOSA-N 2 1 307.507 2.815 20 0 DFADMP C[N@H+](CCOC(C)(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251131 430566199 /nfs/dbraw/zinc/56/61/99/430566199.db2.gz SVJXRDWFSGDMMQ-UHFFFAOYSA-N 2 1 320.477 2.766 20 0 DFADMP C[N@@H+](CCOC(C)(C)C)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000643251131 430566203 /nfs/dbraw/zinc/56/62/03/430566203.db2.gz SVJXRDWFSGDMMQ-UHFFFAOYSA-N 2 1 320.477 2.766 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CC=C(c2cc(C)cc(C)c2)CC1 ZINC000570812458 430579185 /nfs/dbraw/zinc/57/91/85/430579185.db2.gz AGNSIOKJBFBWNH-IBGZPJMESA-N 2 1 302.462 2.705 20 0 DFADMP CC[NH+]1CCC(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000643453685 430601983 /nfs/dbraw/zinc/60/19/83/430601983.db2.gz RJZBNOXIWFLRIL-RBUKOAKNSA-N 3 1 301.478 2.801 20 0 DFADMP CC(C)(C[NH+]1CCCC1)[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000639242781 430586847 /nfs/dbraw/zinc/58/68/47/430586847.db2.gz SIMCDBUUVVODME-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000570972371 430594148 /nfs/dbraw/zinc/59/41/48/430594148.db2.gz BQHXDAGBEVEJGK-UHFFFAOYSA-N 2 1 319.428 2.570 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cncn2)c(F)c1 ZINC000570972371 430594151 /nfs/dbraw/zinc/59/41/51/430594151.db2.gz BQHXDAGBEVEJGK-UHFFFAOYSA-N 2 1 319.428 2.570 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCOc3ccccc3C2)cc1 ZINC000643057169 430546433 /nfs/dbraw/zinc/54/64/33/430546433.db2.gz MSTBYILWQJBCFP-KRWDZBQOSA-N 2 1 312.413 2.632 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCOc3ccccc3C2)cc1 ZINC000643057169 430546436 /nfs/dbraw/zinc/54/64/36/430546436.db2.gz MSTBYILWQJBCFP-KRWDZBQOSA-N 2 1 312.413 2.632 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(C)n1 ZINC000639483173 430651731 /nfs/dbraw/zinc/65/17/31/430651731.db2.gz RSQJWADPJJILBY-ZIAGYGMSSA-N 2 1 302.340 2.894 20 0 DFADMP Cc1cc(C)c(CN2CCC[C@@H]2[C@@H](O)C(F)(F)F)c(C)n1 ZINC000639483173 430651734 /nfs/dbraw/zinc/65/17/34/430651734.db2.gz RSQJWADPJJILBY-ZIAGYGMSSA-N 2 1 302.340 2.894 20 0 DFADMP C[C@@H](NC(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000639494388 430655581 /nfs/dbraw/zinc/65/55/81/430655581.db2.gz KHEXEZSKOXIYOP-IKGGRYGDSA-N 2 1 317.477 2.526 20 0 DFADMP CCCC[C@H](C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000554958917 430657126 /nfs/dbraw/zinc/65/71/26/430657126.db2.gz ZNENDXNTUZOPTI-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP Cc1ccc(NC(=O)C2(C[NH2+][C@H]3CC[NH2+]C3)CCCC2)cc1C ZINC000643460270 430604264 /nfs/dbraw/zinc/60/42/64/430604264.db2.gz HTPMDZIOYOWPQT-KRWDZBQOSA-N 2 1 315.461 2.754 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469419 430605827 /nfs/dbraw/zinc/60/58/27/430605827.db2.gz UEDPWNGGRBDYRH-IUODEOHRSA-N 2 1 311.267 2.969 20 0 DFADMP COc1ccc(C[C@H]([NH2+]C[C@H](C)[NH3+])c2ccc(OC)cc2)cc1 ZINC000643528473 430613186 /nfs/dbraw/zinc/61/31/86/430613186.db2.gz JWSYHCNRQGUHMK-LIRRHRJNSA-N 2 1 314.429 2.924 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000643521894 430613657 /nfs/dbraw/zinc/61/36/57/430613657.db2.gz DZAXCDHQMOZUHY-STQMWFEESA-N 2 1 319.840 2.713 20 0 DFADMP Cc1cnn([C@@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC000571411109 430627035 /nfs/dbraw/zinc/62/70/35/430627035.db2.gz RTJZGJQSGBPYTG-LJQANCHMSA-N 2 1 310.445 2.674 20 0 DFADMP CCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000571569299 430638182 /nfs/dbraw/zinc/63/81/82/430638182.db2.gz YMCFDWSKGTTWTC-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000571569299 430638185 /nfs/dbraw/zinc/63/81/85/430638185.db2.gz YMCFDWSKGTTWTC-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000571569299 430638187 /nfs/dbraw/zinc/63/81/87/430638187.db2.gz YMCFDWSKGTTWTC-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000571569299 430638191 /nfs/dbraw/zinc/63/81/91/430638191.db2.gz YMCFDWSKGTTWTC-GDBMZVCRSA-N 2 1 306.450 2.866 20 0 DFADMP C[NH+]1CCN(CCCC[NH2+]Cc2ccsc2Cl)CC1 ZINC000571588003 430639541 /nfs/dbraw/zinc/63/95/41/430639541.db2.gz SCRIBYFOLSNRAB-UHFFFAOYSA-N 2 1 301.887 2.519 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000554560478 430644193 /nfs/dbraw/zinc/64/41/93/430644193.db2.gz QRQAOZBYHXXCIY-AWEZNQCLSA-N 2 1 317.433 2.509 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H]3C=CCCCCC3)C2)CC1 ZINC000555377749 430666672 /nfs/dbraw/zinc/66/66/72/430666672.db2.gz UOWPABCQAGVOJG-RTBURBONSA-N 2 1 305.510 2.976 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H]([NH3+])C[C@H]1C ZINC000572055674 430670819 /nfs/dbraw/zinc/67/08/19/430670819.db2.gz MFUAMECMFUYMQQ-CHWSQXEVSA-N 2 1 307.463 2.549 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@H+](C[C@H]2CCO[C@H]2C)C1 ZINC000639614787 430681197 /nfs/dbraw/zinc/68/11/97/430681197.db2.gz HCHIBZLHZZWUHZ-HRCADAONSA-N 2 1 323.506 2.630 20 0 DFADMP COc1cncc(/C=C/CC[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c1 ZINC000572359502 430683400 /nfs/dbraw/zinc/68/34/00/430683400.db2.gz KWYXPHRYFRBQLU-BBOMDTFKSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cncc(/C=C/CC[NH+](C)C[C@H]2CCC[N@H+](C)C2)c1 ZINC000572359502 430683403 /nfs/dbraw/zinc/68/34/03/430683403.db2.gz KWYXPHRYFRBQLU-BBOMDTFKSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cncc(/C=C/CC[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c1 ZINC000572359502 430683406 /nfs/dbraw/zinc/68/34/06/430683406.db2.gz KWYXPHRYFRBQLU-BBOMDTFKSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@@H]1CCn3cc[nH+]c3C1)C2 ZINC000366749615 278034422 /nfs/dbraw/zinc/03/44/22/278034422.db2.gz ZSJDCMTXFLDJQE-ZBFHGGJFSA-N 2 1 311.429 2.601 20 0 DFADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479855 430688541 /nfs/dbraw/zinc/68/85/41/430688541.db2.gz NDYZNWMMPWVPRB-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479855 430688543 /nfs/dbraw/zinc/68/85/43/430688543.db2.gz NDYZNWMMPWVPRB-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000572479855 430688544 /nfs/dbraw/zinc/68/85/44/430688544.db2.gz NDYZNWMMPWVPRB-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(CC(=O)Nc2ccc(F)cc2)CC1 ZINC000556686507 430688895 /nfs/dbraw/zinc/68/88/95/430688895.db2.gz QUMKUZRWABVDHI-UHFFFAOYSA-N 2 1 321.440 2.816 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000556686507 430688897 /nfs/dbraw/zinc/68/88/97/430688897.db2.gz QUMKUZRWABVDHI-UHFFFAOYSA-N 2 1 321.440 2.816 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000556686507 430688898 /nfs/dbraw/zinc/68/88/98/430688898.db2.gz QUMKUZRWABVDHI-UHFFFAOYSA-N 2 1 321.440 2.816 20 0 DFADMP CSC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000361240720 278121583 /nfs/dbraw/zinc/12/15/83/278121583.db2.gz QNRWSIHZMYYKSZ-SOUVJXGZSA-N 2 1 300.512 2.607 20 0 DFADMP CC(C)n1cc2c(n1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000358287153 278130112 /nfs/dbraw/zinc/13/01/12/278130112.db2.gz IWDPROZZPLWYII-IXDOHACOSA-N 2 1 302.466 2.538 20 0 DFADMP CCn1c2ccccc2nc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000556782411 430692233 /nfs/dbraw/zinc/69/22/33/430692233.db2.gz XQNJOIUNDOAXML-OAHLLOKOSA-N 2 1 300.450 2.878 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366958125 278212528 /nfs/dbraw/zinc/21/25/28/278212528.db2.gz JIVUNBBBOOTKAO-UHFFFAOYSA-N 2 1 315.461 2.953 20 0 DFADMP C[C@@H](CC(C)(C)O)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000295051880 278222993 /nfs/dbraw/zinc/22/29/93/278222993.db2.gz NONGMLPOVXOVFI-INIZCTEOSA-N 2 1 304.478 2.833 20 0 DFADMP CCCC(C)(C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000572733057 430696632 /nfs/dbraw/zinc/69/66/32/430696632.db2.gz YEORNMRWPPUFCI-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359226044 278333620 /nfs/dbraw/zinc/33/36/20/278333620.db2.gz VPFDNQILOHTYNC-HKUYNNGSSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226044 278333621 /nfs/dbraw/zinc/33/36/21/278333621.db2.gz VPFDNQILOHTYNC-HKUYNNGSSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226044 278333622 /nfs/dbraw/zinc/33/36/22/278333622.db2.gz VPFDNQILOHTYNC-HKUYNNGSSA-N 3 1 307.526 2.963 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](C)C1(c2ccccc2)CCCC1 ZINC000572896578 430698130 /nfs/dbraw/zinc/69/81/30/430698130.db2.gz WVQRWXALRIXDEL-AEFFLSMTSA-N 2 1 304.478 2.789 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000247140686 278341943 /nfs/dbraw/zinc/34/19/43/278341943.db2.gz SHULJKMBWNCRDH-RDJZCZTQSA-N 2 1 304.482 2.899 20 0 DFADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccccc1 ZINC000556875642 430695413 /nfs/dbraw/zinc/69/54/13/430695413.db2.gz AHQSZGZJJHOHAN-OTWHNJEPSA-N 2 1 301.478 2.975 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)C1CCCCC1 ZINC000556874962 430695499 /nfs/dbraw/zinc/69/54/99/430695499.db2.gz HRNARYJQZMABII-ZSYWTGECSA-N 2 1 307.526 2.959 20 0 DFADMP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)C(C)(C)O1 ZINC000330670442 278388348 /nfs/dbraw/zinc/38/83/48/278388348.db2.gz DJPOCMGGQYJIRJ-KGLIPLIRSA-N 2 1 311.470 2.559 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000651138128 430715847 /nfs/dbraw/zinc/71/58/47/430715847.db2.gz BNGNQHDLOQSLNC-UFYCRDLUSA-N 2 1 314.473 2.600 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000651138128 430715853 /nfs/dbraw/zinc/71/58/53/430715853.db2.gz BNGNQHDLOQSLNC-UFYCRDLUSA-N 2 1 314.473 2.600 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000651138128 430715859 /nfs/dbraw/zinc/71/58/59/430715859.db2.gz BNGNQHDLOQSLNC-UFYCRDLUSA-N 2 1 314.473 2.600 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@@H](C2CC2)[C@@H]1C1CC1 ZINC000651138128 430715864 /nfs/dbraw/zinc/71/58/64/430715864.db2.gz BNGNQHDLOQSLNC-UFYCRDLUSA-N 2 1 314.473 2.600 20 0 DFADMP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1C ZINC000657750223 430724829 /nfs/dbraw/zinc/72/48/29/430724829.db2.gz DRXYTRGKZGGMDK-IBGZPJMESA-N 2 1 302.462 2.955 20 0 DFADMP Fc1ccc(C[NH2+]C2CCN([C@@H]3CCOC3)CC2)c(Cl)c1 ZINC000657751571 430725107 /nfs/dbraw/zinc/72/51/07/430725107.db2.gz SHOINYOLCNECMI-OAHLLOKOSA-N 2 1 312.816 2.822 20 0 DFADMP c1cc2cc(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2o1 ZINC000657751438 430725303 /nfs/dbraw/zinc/72/53/03/430725303.db2.gz JENJWVLAKHXBKU-QGZVFWFLSA-N 2 1 300.402 2.776 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000657751203 430726320 /nfs/dbraw/zinc/72/63/20/430726320.db2.gz HBCLPTYBNKOOAH-IMLGJKEDSA-N 2 1 322.399 2.821 20 0 DFADMP CC(C)c1cnc(C[NH2+]C2CCN([C@H]3CCOC3)CC2)s1 ZINC000657751767 430726398 /nfs/dbraw/zinc/72/63/98/430726398.db2.gz JZPWPCCBGRZDCR-AWEZNQCLSA-N 2 1 309.479 2.609 20 0 DFADMP Clc1ccsc1C[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000657751369 430726415 /nfs/dbraw/zinc/72/64/15/430726415.db2.gz HRECPIOVUMAIQN-GFCCVEGCSA-N 2 1 300.855 2.744 20 0 DFADMP Cn1cncc1C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772032 430732451 /nfs/dbraw/zinc/73/24/51/430732451.db2.gz IXRJKQIIHODIIK-GOSISDBHSA-N 2 1 324.472 2.812 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000657823823 430745455 /nfs/dbraw/zinc/74/54/55/430745455.db2.gz ONBQGWZTCZVOMG-GOSISDBHSA-N 2 1 300.446 2.941 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@]1(C)c1ccccc1 ZINC000644574673 430755892 /nfs/dbraw/zinc/75/58/92/430755892.db2.gz BIKRMGRTTZOUGD-QHAWAJNXSA-N 2 1 324.468 2.799 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@H]1C[C@]1(C)c1ccccc1 ZINC000644574673 430755895 /nfs/dbraw/zinc/75/58/95/430755895.db2.gz BIKRMGRTTZOUGD-QHAWAJNXSA-N 2 1 324.468 2.799 20 0 DFADMP CC1(C)C[N@@H+](CCO)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836864 430758861 /nfs/dbraw/zinc/75/88/61/430758861.db2.gz RIYUPHKIRLJLTK-SFHVURJKSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@H](Cc1ccc(C(F)(F)F)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000657876036 430759566 /nfs/dbraw/zinc/75/95/66/430759566.db2.gz SZFPNBSCELNGKD-HUUCEWRRSA-N 2 1 318.383 2.539 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](C)C1)c1cncc(Br)c1 ZINC000657875358 430759627 /nfs/dbraw/zinc/75/96/27/430759627.db2.gz CLMOEQRKRFAOAI-RYUDHWBXSA-N 2 1 312.255 2.837 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](C)C1)c1cncc(Br)c1 ZINC000657875358 430759629 /nfs/dbraw/zinc/75/96/29/430759629.db2.gz CLMOEQRKRFAOAI-RYUDHWBXSA-N 2 1 312.255 2.837 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]C2CC(CF)(CF)C2)CC1 ZINC000657900074 430762712 /nfs/dbraw/zinc/76/27/12/430762712.db2.gz ZSWTWKCYLDCFAF-UHFFFAOYSA-N 2 1 304.425 2.553 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCCSCC2)C1 ZINC000657969744 430777825 /nfs/dbraw/zinc/77/78/25/430777825.db2.gz UJIYHMZTEVDLBP-ZWKOTPCHSA-N 2 1 320.502 2.629 20 0 DFADMP COc1cc(F)cc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000648531515 430815838 /nfs/dbraw/zinc/81/58/38/430815838.db2.gz MYLQWIIWEDKSIY-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1cc(F)cc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000648531515 430815840 /nfs/dbraw/zinc/81/58/40/430815840.db2.gz MYLQWIIWEDKSIY-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CCC1 ZINC000658136417 430820933 /nfs/dbraw/zinc/82/09/33/430820933.db2.gz IEPVQRUHIOKYHX-RTBURBONSA-N 2 1 302.462 2.922 20 0 DFADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)COCc1ccccc1 ZINC000658133381 430821459 /nfs/dbraw/zinc/82/14/59/430821459.db2.gz QNOWWNFDVPOYCN-YTQUADARSA-N 2 1 320.477 2.681 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1nccs1 ZINC000658141439 430824086 /nfs/dbraw/zinc/82/40/86/430824086.db2.gz XCXJFVPADGEHLN-CZUORRHYSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1nccs1 ZINC000658141439 430824091 /nfs/dbraw/zinc/82/40/91/430824091.db2.gz XCXJFVPADGEHLN-CZUORRHYSA-N 2 1 317.458 2.561 20 0 DFADMP CC(C)c1nn(C)c(N(C)C)c1C[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000651600481 430829130 /nfs/dbraw/zinc/82/91/30/430829130.db2.gz GXEJNKZJVZSFGF-UHFFFAOYSA-N 2 1 321.513 2.574 20 0 DFADMP C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658170854 430833061 /nfs/dbraw/zinc/83/30/61/430833061.db2.gz VFZCHDROEFQBDU-XIRDDKMYSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@H]([NH2+]CCO[C@H]1CC1(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658170852 430834520 /nfs/dbraw/zinc/83/45/20/430834520.db2.gz VFZCHDROEFQBDU-UAGQMJEPSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCC[N@@H+](C)C2)CC1 ZINC000648432552 430784406 /nfs/dbraw/zinc/78/44/06/430784406.db2.gz XDAWZWKJCQOMCQ-PXNSSMCTSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCCN(C)C2)CC1 ZINC000648432552 430784410 /nfs/dbraw/zinc/78/44/10/430784410.db2.gz XDAWZWKJCQOMCQ-PXNSSMCTSA-N 2 1 315.505 2.766 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661693708 430806551 /nfs/dbraw/zinc/80/65/51/430806551.db2.gz SCGLFLSQBWIPPZ-ROUUACIJSA-N 2 1 308.441 2.551 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H](CCF)C1 ZINC000661693708 430806556 /nfs/dbraw/zinc/80/65/56/430806556.db2.gz SCGLFLSQBWIPPZ-ROUUACIJSA-N 2 1 308.441 2.551 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H](CCF)C1 ZINC000661693708 430806557 /nfs/dbraw/zinc/80/65/57/430806557.db2.gz SCGLFLSQBWIPPZ-ROUUACIJSA-N 2 1 308.441 2.551 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000661693708 430806563 /nfs/dbraw/zinc/80/65/63/430806563.db2.gz SCGLFLSQBWIPPZ-ROUUACIJSA-N 2 1 308.441 2.551 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCO1 ZINC000648499218 430807287 /nfs/dbraw/zinc/80/72/87/430807287.db2.gz URPPFWNLCXRKAQ-IAGOWNOFSA-N 2 1 318.465 2.609 20 0 DFADMP Oc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000658240520 430848888 /nfs/dbraw/zinc/84/88/88/430848888.db2.gz YQKGHHPGMSZVFS-HKUYNNGSSA-N 2 1 316.445 2.613 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2cccc3c2CCC3)CC1 ZINC000651705902 430854590 /nfs/dbraw/zinc/85/45/90/430854590.db2.gz LLZFTFOOYZKPNU-UHFFFAOYSA-N 2 1 315.505 2.539 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000658257520 430855793 /nfs/dbraw/zinc/85/57/93/430855793.db2.gz YTEHIZQNKZCLKT-BVBHFADKSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000658257520 430855798 /nfs/dbraw/zinc/85/57/98/430855798.db2.gz YTEHIZQNKZCLKT-BVBHFADKSA-N 2 1 314.473 2.790 20 0 DFADMP CC1(C)[C@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(F)F ZINC000658281754 430860464 /nfs/dbraw/zinc/86/04/64/430860464.db2.gz RZEUSYUYAQHOMT-KBPBESRZSA-N 2 1 302.409 2.511 20 0 DFADMP CC1(C)[C@@H](C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1(F)F ZINC000658281756 430861213 /nfs/dbraw/zinc/86/12/13/430861213.db2.gz RZEUSYUYAQHOMT-UONOGXRCSA-N 2 1 302.409 2.511 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1 ZINC000661850342 430864946 /nfs/dbraw/zinc/86/49/46/430864946.db2.gz HYRLMKYYMDYQOQ-SJORKVTESA-N 2 1 318.461 2.518 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)O1 ZINC000661850342 430864949 /nfs/dbraw/zinc/86/49/49/430864949.db2.gz HYRLMKYYMDYQOQ-SJORKVTESA-N 2 1 318.461 2.518 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000665249006 430869131 /nfs/dbraw/zinc/86/91/31/430869131.db2.gz HWLDYFFYIRSTGM-LBPRGKRZSA-N 2 1 301.434 2.838 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@@H]1CCOC1 ZINC000665253940 430869638 /nfs/dbraw/zinc/86/96/38/430869638.db2.gz CWQAQCNYOZJWBN-VDHUWJSZSA-N 2 1 306.425 2.676 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2cccc(F)c2)C1 ZINC000665253831 430869720 /nfs/dbraw/zinc/86/97/20/430869720.db2.gz ANVGTNVSJSKLGW-BRSBDYLESA-N 2 1 306.425 2.818 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251919 430870168 /nfs/dbraw/zinc/87/01/68/430870168.db2.gz BPKQCLRNZMYSSL-ZSYWTGECSA-N 2 1 302.462 2.927 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@H]2CCOC2)cc1 ZINC000665255453 430872042 /nfs/dbraw/zinc/87/20/42/430872042.db2.gz SSFVATKORAIILH-XIVBQZFQSA-N 2 1 318.461 2.545 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000651774722 430872716 /nfs/dbraw/zinc/87/27/16/430872716.db2.gz OWRIXXIYHGHAKO-KRWDZBQOSA-N 2 1 312.461 2.873 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000665257525 430872998 /nfs/dbraw/zinc/87/29/98/430872998.db2.gz LVWIQGNWNYWYOT-PAYONLEZSA-N 2 1 306.425 2.676 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@H]1CCOC1 ZINC000665255963 430873498 /nfs/dbraw/zinc/87/34/98/430873498.db2.gz JOIPFVMVKFYETK-JCHJZTRSSA-N 2 1 318.461 2.545 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCOC1 ZINC000665257638 430873516 /nfs/dbraw/zinc/87/35/16/430873516.db2.gz OXILUGJTPDVIBJ-VDHUWJSZSA-N 2 1 306.425 2.676 20 0 DFADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000665298683 430889477 /nfs/dbraw/zinc/88/94/77/430889477.db2.gz ZVEVXXNVOYBLDH-ABAIWWIYSA-N 2 1 311.267 2.968 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CC[NH2+]CC[C@H]3C)on2)cc1 ZINC000665262074 430873936 /nfs/dbraw/zinc/87/39/36/430873936.db2.gz SQTVMNOCXXVJJL-CXAGYDPISA-N 2 1 315.417 2.828 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@@H]3CCC[C@H]([NH3+])C3)on2)cc1 ZINC000665262033 430875700 /nfs/dbraw/zinc/87/57/00/430875700.db2.gz RQCGBGGJIYJNPM-UONOGXRCSA-N 2 1 301.390 2.710 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000648742809 430877364 /nfs/dbraw/zinc/87/73/64/430877364.db2.gz SFZWLAJYJAPUPJ-JKSUJKDBSA-N 2 1 320.481 2.635 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000648752897 430880599 /nfs/dbraw/zinc/88/05/99/430880599.db2.gz RJUWVTYGCAHDSU-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP Clc1ccccc1C[C@@H]([NH2+]CC12CC(C1)C[NH2+]2)[C@@H]1CCCO1 ZINC000665280230 430881202 /nfs/dbraw/zinc/88/12/02/430881202.db2.gz WHQIEIAQPDFHSO-NBIFXARBSA-N 2 1 320.864 2.772 20 0 DFADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000658347833 430883016 /nfs/dbraw/zinc/88/30/16/430883016.db2.gz HTHVCVVTQHAAJC-LTFXXXRZSA-N 2 1 300.446 2.543 20 0 DFADMP O[C@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000658347831 430883102 /nfs/dbraw/zinc/88/31/02/430883102.db2.gz HTHVCVVTQHAAJC-FVVUREQNSA-N 2 1 300.446 2.543 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648768105 430884470 /nfs/dbraw/zinc/88/44/70/430884470.db2.gz PZKMQKYJOPYSMA-BFYDXBDKSA-N 2 1 317.477 2.572 20 0 DFADMP CN(CC[N@@H+](C)Cc1cccc2c1CCC2)C1CC[NH+](C)CC1 ZINC000651808503 430884456 /nfs/dbraw/zinc/88/44/56/430884456.db2.gz TZEMXNPLYVWNAV-UHFFFAOYSA-N 2 1 315.505 2.633 20 0 DFADMP OCC1CC([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000658357258 430885160 /nfs/dbraw/zinc/88/51/60/430885160.db2.gz UCFHRNNTWGQBQZ-QHPSASCESA-N 2 1 300.446 2.543 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1CCC[C@H]1Cc1cnn(C)c1 ZINC000661775908 430838503 /nfs/dbraw/zinc/83/85/03/430838503.db2.gz DHVVSRCGSVQSBG-ZWKOTPCHSA-N 2 1 315.465 2.706 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000648861458 430917394 /nfs/dbraw/zinc/91/73/94/430917394.db2.gz BGZQSJFGHFHANU-OAHLLOKOSA-N 2 1 320.481 2.635 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1)C1CCC(F)CC1 ZINC000661999870 430918809 /nfs/dbraw/zinc/91/88/09/430918809.db2.gz ILIOTVUHGBUPOT-HJZRJOMTSA-N 2 1 322.468 2.986 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC(F)CC1 ZINC000661999870 430918816 /nfs/dbraw/zinc/91/88/16/430918816.db2.gz ILIOTVUHGBUPOT-HJZRJOMTSA-N 2 1 322.468 2.986 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CC[C@H](C[N@H+](C)CC4CC4)C3)c2c1C ZINC000645183752 430927810 /nfs/dbraw/zinc/92/78/10/430927810.db2.gz RIIZTIODADFKSY-OAHLLOKOSA-N 2 1 313.449 2.743 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CC[C@H](C[N@@H+](C)CC4CC4)C3)c2c1C ZINC000645183752 430927813 /nfs/dbraw/zinc/92/78/13/430927813.db2.gz RIIZTIODADFKSY-OAHLLOKOSA-N 2 1 313.449 2.743 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CC[C@@H](C4CC[NH+](C)CC4)C3)c2c1C ZINC000645199545 430933398 /nfs/dbraw/zinc/93/33/98/430933398.db2.gz GUGFIGNAHAKAEG-OAHLLOKOSA-N 2 1 313.449 2.743 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648909144 430934461 /nfs/dbraw/zinc/93/44/61/430934461.db2.gz GNBPYEDDMOMVQE-HUUCEWRRSA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)C[C@@H](C)n1cc[nH+]c1CC ZINC000648909144 430934465 /nfs/dbraw/zinc/93/44/65/430934465.db2.gz GNBPYEDDMOMVQE-HUUCEWRRSA-N 2 1 308.470 2.633 20 0 DFADMP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)[NH+]1CCCCC1 ZINC000655348569 430971871 /nfs/dbraw/zinc/97/18/71/430971871.db2.gz BZJOXLHHELASOX-RCCFBDPRSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+]3CCCC[C@H]23)CCCCC1 ZINC000655351181 430973066 /nfs/dbraw/zinc/97/30/66/430973066.db2.gz PGRHTBQBMJBMQJ-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655353711 430974913 /nfs/dbraw/zinc/97/49/13/430974913.db2.gz VMCLMWYQCSVHFZ-HUUCEWRRSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655353711 430974917 /nfs/dbraw/zinc/97/49/17/430974917.db2.gz VMCLMWYQCSVHFZ-HUUCEWRRSA-N 2 1 321.490 2.556 20 0 DFADMP CCCOc1cccc(CN2CCC([N@H+]3CC[C@@H](O)C3)CC2)c1 ZINC000662152765 430979522 /nfs/dbraw/zinc/97/95/22/430979522.db2.gz ZMKKGGUVFCLRLL-GOSISDBHSA-N 2 1 318.461 2.506 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+]([C@H]3CCCc4ccccc43)CC2)C1 ZINC000662156008 430983770 /nfs/dbraw/zinc/98/37/70/430983770.db2.gz KCYAKKIFZATSAX-MJGOQNOKSA-N 2 1 300.446 2.595 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)c1ccc(F)cc1F ZINC000662165164 430985965 /nfs/dbraw/zinc/98/59/65/430985965.db2.gz LUMOPFDLUFZLOH-MRXNPFEDSA-N 2 1 309.360 2.573 20 0 DFADMP CC[N@@H+](CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1)C1CCCCC1 ZINC000652216135 430989425 /nfs/dbraw/zinc/98/94/25/430989425.db2.gz JVMPLSUYHIGVCC-HZPDHXFCSA-N 2 1 324.513 2.600 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000652222014 430991374 /nfs/dbraw/zinc/99/13/74/430991374.db2.gz CPSCBGRFBJRHKP-UHFFFAOYSA-N 2 1 310.404 2.790 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(C)n2n1 ZINC000652222233 430993847 /nfs/dbraw/zinc/99/38/47/430993847.db2.gz ILWAKGSLAARJGA-HNNXBMFYSA-N 2 1 317.481 2.975 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(C)n2n1 ZINC000652222233 430993851 /nfs/dbraw/zinc/99/38/51/430993851.db2.gz ILWAKGSLAARJGA-HNNXBMFYSA-N 2 1 317.481 2.975 20 0 DFADMP CC[N@@H+](CCCNC(=O)N1CCCC[C@@H]1C[NH3+])C1CCCCC1 ZINC000652227531 430994759 /nfs/dbraw/zinc/99/47/59/430994759.db2.gz JJYCQRGXIMCSBB-QGZVFWFLSA-N 2 1 324.513 2.554 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)CC[C@H]1CCC[NH+]1C ZINC000662205543 430997912 /nfs/dbraw/zinc/99/79/12/430997912.db2.gz PWVHNFGVTHEZLP-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP CC[NH+](CCOc1ccccc1OC)CC[C@H]1CCC[N@@H+]1C ZINC000662205543 430997918 /nfs/dbraw/zinc/99/79/18/430997918.db2.gz PWVHNFGVTHEZLP-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP CC[NH+](CCOc1ccccc1OC)CC[C@H]1CCC[N@H+]1C ZINC000662205543 430997923 /nfs/dbraw/zinc/99/79/23/430997923.db2.gz PWVHNFGVTHEZLP-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP CC[N@H+](CCOc1ccccc1OC)CCn1cc[nH+]c1C ZINC000662206006 430998004 /nfs/dbraw/zinc/99/80/04/430998004.db2.gz UVINBNISBGRDRJ-UHFFFAOYSA-N 2 1 303.406 2.601 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)CCn1cc[nH+]c1C ZINC000662206006 430998008 /nfs/dbraw/zinc/99/80/08/430998008.db2.gz UVINBNISBGRDRJ-UHFFFAOYSA-N 2 1 303.406 2.601 20 0 DFADMP CCCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@H]1CC[N@@H+](C)C1 ZINC000648996658 430964097 /nfs/dbraw/zinc/96/40/97/430964097.db2.gz XLRDWZBSOCKJRE-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H](c1nc2ccccc2s1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259133 431019966 /nfs/dbraw/zinc/01/99/66/431019966.db2.gz QRIRJTWYSMAUBP-OLZOCXBDSA-N 2 1 317.458 2.810 20 0 DFADMP C[C@H](c1nc2ccccc2s1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662259133 431019977 /nfs/dbraw/zinc/01/99/77/431019977.db2.gz QRIRJTWYSMAUBP-OLZOCXBDSA-N 2 1 317.458 2.810 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265753 431021885 /nfs/dbraw/zinc/02/18/85/431021885.db2.gz ZACRHCNULHBYSA-SFHVURJKSA-N 3 1 310.445 2.674 20 0 DFADMP c1ccc(NC[C@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000652340018 431024758 /nfs/dbraw/zinc/02/47/58/431024758.db2.gz YHWFPBLLYBRYFO-QGZVFWFLSA-N 2 1 322.456 2.661 20 0 DFADMP c1ccc(NC[C@@H]2CC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)nc1 ZINC000652340017 431025955 /nfs/dbraw/zinc/02/59/55/431025955.db2.gz YHWFPBLLYBRYFO-KRWDZBQOSA-N 2 1 322.456 2.661 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000662271724 431027429 /nfs/dbraw/zinc/02/74/29/431027429.db2.gz YOABRJXSYVEQBO-QUCCMNQESA-N 2 1 324.472 2.957 20 0 DFADMP CC(C)(C)c1cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)no1 ZINC000652350298 431027739 /nfs/dbraw/zinc/02/77/39/431027739.db2.gz QYHKTYAQYIVGAP-LZWOXQAQSA-N 2 1 321.465 2.690 20 0 DFADMP CC(C)(C)c1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)no1 ZINC000652350298 431027742 /nfs/dbraw/zinc/02/77/42/431027742.db2.gz QYHKTYAQYIVGAP-LZWOXQAQSA-N 2 1 321.465 2.690 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(F)c1OC(F)F ZINC000662275426 431029843 /nfs/dbraw/zinc/02/98/43/431029843.db2.gz ADFSAQVCCLFMHO-LBPRGKRZSA-N 2 1 302.340 2.905 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2[NH2+]CC2(C)C)cc1 ZINC000645551002 431030977 /nfs/dbraw/zinc/03/09/77/431030977.db2.gz CGMGGVMORNYBPO-YOEHRIQHSA-N 2 1 315.461 2.998 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000662388547 431069419 /nfs/dbraw/zinc/06/94/19/431069419.db2.gz OHTPHZVUMXQGDM-CRAIPNDOSA-N 2 1 317.477 2.533 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccncc2Cl)C1 ZINC000652363323 431033666 /nfs/dbraw/zinc/03/36/66/431033666.db2.gz AZKSSNLFJDKISO-BMFZPTHFSA-N 2 1 309.841 2.596 20 0 DFADMP C[C@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CCc2ccc(Cl)cc21 ZINC000662286600 431035224 /nfs/dbraw/zinc/03/52/24/431035224.db2.gz RLKIWLGKIOAYKN-XJKSGUPXSA-N 2 1 320.864 2.823 20 0 DFADMP Fc1ccccc1OCC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293244 431036035 /nfs/dbraw/zinc/03/60/35/431036035.db2.gz DWZYAAIKJXSLJU-MRXNPFEDSA-N 2 1 306.425 2.916 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662296851 431037612 /nfs/dbraw/zinc/03/76/12/431037612.db2.gz NXPCUYPDSKYMPP-WMZOPIPTSA-N 2 1 323.525 2.732 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297775 431037681 /nfs/dbraw/zinc/03/76/81/431037681.db2.gz RQODBPAQCPGQTQ-AWEZNQCLSA-N 2 1 308.388 2.667 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C2CCCCC2)C1 ZINC000662305974 431040178 /nfs/dbraw/zinc/04/01/78/431040178.db2.gz MKSJXWXRMLXSMJ-AABGKKOBSA-N 2 1 316.489 2.820 20 0 DFADMP CC[N@H+](Cc1ccc(C)cc1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000662304028 431040614 /nfs/dbraw/zinc/04/06/14/431040614.db2.gz DBOZNTOTHKWLEP-PMACEKPBSA-N 2 1 312.457 2.748 20 0 DFADMP CC1(C)CO[C@@H](c2cccc(F)c2)C[N@H+]1CC[C@@H]1CC[NH2+]C1 ZINC000662310239 431042391 /nfs/dbraw/zinc/04/23/91/431042391.db2.gz IMWHYWHOXSWXFL-WMLDXEAASA-N 2 1 306.425 2.977 20 0 DFADMP Cc1cccc(C)c1OCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317781 431043622 /nfs/dbraw/zinc/04/36/22/431043622.db2.gz SEFJUGZVEDTGAI-SFHVURJKSA-N 2 1 320.477 2.725 20 0 DFADMP Cc1cccc(C)c1OCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662317781 431043630 /nfs/dbraw/zinc/04/36/30/431043630.db2.gz SEFJUGZVEDTGAI-SFHVURJKSA-N 2 1 320.477 2.725 20 0 DFADMP C[C@@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000662316418 431045054 /nfs/dbraw/zinc/04/50/54/431045054.db2.gz WLUKZHSVPQCNBK-RVKKMQEKSA-N 2 1 321.509 2.615 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOCc2ccccc2)CCO1 ZINC000662321380 431046520 /nfs/dbraw/zinc/04/65/20/431046520.db2.gz BZFOMBHCERMVAL-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](C[C@H]2CCCCC2(F)F)CCO1 ZINC000662325751 431046740 /nfs/dbraw/zinc/04/67/40/431046740.db2.gz JKIXERGVCCFAEB-HUUCEWRRSA-N 2 1 304.425 2.855 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1)C1CCCCC1 ZINC000662325913 431047274 /nfs/dbraw/zinc/04/72/74/431047274.db2.gz LDWVDNIOHLUOSP-ZWKOTPCHSA-N 2 1 312.498 2.624 20 0 DFADMP COCC[C@@H](c1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326421 431049612 /nfs/dbraw/zinc/04/96/12/431049612.db2.gz ZGIWECFOZXPWGY-MOPGFXCFSA-N 2 1 320.477 2.807 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]2C[NH3+])c1 ZINC000649306649 431062496 /nfs/dbraw/zinc/06/24/96/431062496.db2.gz FORJAQQDUYEFIF-ROUUACIJSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649306725 431062805 /nfs/dbraw/zinc/06/28/05/431062805.db2.gz LHUWHAJYJLRCKK-XJKCOSOUSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649306725 431062809 /nfs/dbraw/zinc/06/28/09/431062809.db2.gz LHUWHAJYJLRCKK-XJKCOSOUSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2CCC([NH3+])CC2)c1 ZINC000649306842 431063030 /nfs/dbraw/zinc/06/30/30/431063030.db2.gz SREUTBKIQDLDDU-UHFFFAOYSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649306723 431063217 /nfs/dbraw/zinc/06/32/17/431063217.db2.gz LHUWHAJYJLRCKK-IOASZLSFSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649306723 431063223 /nfs/dbraw/zinc/06/32/23/431063223.db2.gz LHUWHAJYJLRCKK-IOASZLSFSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000662386463 431068543 /nfs/dbraw/zinc/06/85/43/431068543.db2.gz AJMSONACXSZWDM-YJBOKZPZSA-N 2 1 317.477 2.533 20 0 DFADMP C[N@H+](Cc1ccccc1C(F)(F)F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662248637 431012511 /nfs/dbraw/zinc/01/25/11/431012511.db2.gz IKBMUQYIDQLKSL-CYBMUJFWSA-N 2 1 314.351 2.658 20 0 DFADMP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000659284427 431013200 /nfs/dbraw/zinc/01/32/00/431013200.db2.gz DNUIWDYMHIOWGO-HNNXBMFYSA-N 2 1 303.450 2.855 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2cccc(F)c2OC(F)F)CC1 ZINC000662247207 431013238 /nfs/dbraw/zinc/01/32/38/431013238.db2.gz VIUQPHFJRSXATP-UHFFFAOYSA-N 2 1 302.340 2.859 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H]([NH3+])[C@H](C)C3)on2)cc1 ZINC000662243249 431013822 /nfs/dbraw/zinc/01/38/22/431013822.db2.gz HEFBAZZEHXUKOI-MLGOLLRUSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H]([NH3+])[C@H](C)C3)on2)cc1 ZINC000662243249 431013826 /nfs/dbraw/zinc/01/38/26/431013826.db2.gz HEFBAZZEHXUKOI-MLGOLLRUSA-N 2 1 301.390 2.519 20 0 DFADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662249924 431015920 /nfs/dbraw/zinc/01/59/20/431015920.db2.gz VLICTKVZKJHBQI-CRAIPNDOSA-N 2 1 300.446 2.808 20 0 DFADMP CC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@@H](C)c1cccc(OC)c1 ZINC000662252142 431015939 /nfs/dbraw/zinc/01/59/39/431015939.db2.gz KJEXOBLPSDWTMM-YOEHRIQHSA-N 2 1 304.434 2.599 20 0 DFADMP C[C@H](O)C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C1CCCCC1 ZINC000662256097 431016096 /nfs/dbraw/zinc/01/60/96/431016096.db2.gz GCNFHZLRFCARCU-HNNXBMFYSA-N 2 1 302.462 2.848 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254049 431017380 /nfs/dbraw/zinc/01/73/80/431017380.db2.gz DPOPYCDNDXFQBY-CJNGLKHVSA-N 2 1 308.853 2.724 20 0 DFADMP CCc1cnccc1[C@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655736455 431109013 /nfs/dbraw/zinc/10/90/13/431109013.db2.gz PPQOVJRAZSEGMW-YJBOKZPZSA-N 2 1 317.477 2.938 20 0 DFADMP C[N@H+]1CCC[C@H]1CN1CCN(Cc2cccc(Cl)c2)CC1 ZINC000649472060 431110698 /nfs/dbraw/zinc/11/06/98/431110698.db2.gz AEPUOIRTRYMLHD-KRWDZBQOSA-N 2 1 307.869 2.552 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000645941628 431123223 /nfs/dbraw/zinc/12/32/23/431123223.db2.gz ABWHJTCSFQKHPH-IKGGRYGDSA-N 2 1 318.465 2.653 20 0 DFADMP Cc1cccc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000655766216 431124906 /nfs/dbraw/zinc/12/49/06/431124906.db2.gz BRICETDYDSPIRN-IBGZPJMESA-N 2 1 317.477 2.556 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C2)n1 ZINC000645807029 431077045 /nfs/dbraw/zinc/07/70/45/431077045.db2.gz TXKSAWLGJRBTCB-SJORKVTESA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC[C@@H]3CCOC3)C2)[nH+]1 ZINC000645807029 431077050 /nfs/dbraw/zinc/07/70/50/431077050.db2.gz TXKSAWLGJRBTCB-SJORKVTESA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C2)[nH+]1 ZINC000645807029 431077054 /nfs/dbraw/zinc/07/70/54/431077054.db2.gz TXKSAWLGJRBTCB-SJORKVTESA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)n1 ZINC000645807028 431077638 /nfs/dbraw/zinc/07/76/38/431077638.db2.gz TXKSAWLGJRBTCB-IRXDYDNUSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)[nH+]1 ZINC000645807028 431077642 /nfs/dbraw/zinc/07/76/42/431077642.db2.gz TXKSAWLGJRBTCB-IRXDYDNUSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)[nH+]1 ZINC000645807028 431077647 /nfs/dbraw/zinc/07/76/47/431077647.db2.gz TXKSAWLGJRBTCB-IRXDYDNUSA-N 2 1 303.450 2.941 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000655765476 431125370 /nfs/dbraw/zinc/12/53/70/431125370.db2.gz GHMVLGASIKYGDN-SFNKJDCFSA-N 2 1 324.509 2.813 20 0 DFADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CCC2)cc1 ZINC000655686165 431082685 /nfs/dbraw/zinc/08/26/85/431082685.db2.gz YCKKZZPVZSPJCW-LJQANCHMSA-N 2 1 314.473 2.951 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@H](C[NH3+])CC(C)C)C1 ZINC000662447904 431082838 /nfs/dbraw/zinc/08/28/38/431082838.db2.gz GJXWARHVCWSSDX-JKSUJKDBSA-N 2 1 320.481 2.620 20 0 DFADMP COCc1ccccc1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655690970 431084525 /nfs/dbraw/zinc/08/45/25/431084525.db2.gz AMSJWWPZVQLEJD-IBGZPJMESA-N 2 1 318.461 2.566 20 0 DFADMP CCCCC[N@@H+](CCNC(=O)C(C)(C)[NH3+])Cc1ccccc1 ZINC000652560308 431086360 /nfs/dbraw/zinc/08/63/60/431086360.db2.gz HCPXCIJRTSCNSO-UHFFFAOYSA-N 2 1 305.466 2.532 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)Nc1ccc([C@H](C)[NH+]2CCOCC2)cc1 ZINC000262718125 278966974 /nfs/dbraw/zinc/96/69/74/278966974.db2.gz XDEKMKCCPWTIIS-KSSFIOAISA-N 2 1 319.449 2.536 20 0 DFADMP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655704476 431089067 /nfs/dbraw/zinc/08/90/67/431089067.db2.gz ZGBRSJUAAFKBMZ-GOSISDBHSA-N 2 1 302.462 2.955 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)CCC2CC[NH2+]CC2)Oc2ccccc21 ZINC000649411341 431093575 /nfs/dbraw/zinc/09/35/75/431093575.db2.gz KHGPHMZDWRCQIG-KRWDZBQOSA-N 2 1 317.477 2.595 20 0 DFADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@@H]2CC[NH2+]C2)CC1 ZINC000649411730 431093857 /nfs/dbraw/zinc/09/38/57/431093857.db2.gz ZMYFUFSUTYSDGY-LSDHHAIUSA-N 2 1 307.869 2.628 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000649413433 431094391 /nfs/dbraw/zinc/09/43/91/431094391.db2.gz ZPILZAXOPDJGMA-KRWDZBQOSA-N 2 1 304.482 2.862 20 0 DFADMP Cc1ccccc1OCCC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655710628 431094887 /nfs/dbraw/zinc/09/48/87/431094887.db2.gz CACFWNSCUJYSRQ-SFHVURJKSA-N 2 1 318.461 2.607 20 0 DFADMP C[N@H+](CCc1c(F)cccc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000645866432 431095306 /nfs/dbraw/zinc/09/53/06/431095306.db2.gz WJZDKXWBUCPOLR-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1c(F)cccc1F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000645866432 431095311 /nfs/dbraw/zinc/09/53/11/431095311.db2.gz WJZDKXWBUCPOLR-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417799 431096809 /nfs/dbraw/zinc/09/68/09/431096809.db2.gz HFRDUCQBQDCMLA-SJORKVTESA-N 2 1 312.461 2.854 20 0 DFADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CC2 ZINC000655715903 431096857 /nfs/dbraw/zinc/09/68/57/431096857.db2.gz JPOHFJJCDNGJRO-LJQANCHMSA-N 2 1 315.505 2.908 20 0 DFADMP Cc1ccc(O[C@H](C)C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655720210 431098874 /nfs/dbraw/zinc/09/88/74/431098874.db2.gz QADIWLLGEYWTAC-SJLPKXTDSA-N 2 1 318.461 2.605 20 0 DFADMP OCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCCCC1 ZINC000655721177 431100064 /nfs/dbraw/zinc/10/00/64/431100064.db2.gz MIJUJXCVYMDTRK-SFHVURJKSA-N 2 1 324.509 2.552 20 0 DFADMP O[C@@H]1CCCC[C@H]1CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655734899 431105136 /nfs/dbraw/zinc/10/51/36/431105136.db2.gz PJKREBRBAUKXRZ-YTQUADARSA-N 2 1 324.509 2.551 20 0 DFADMP CCC(CC)[C@H](CC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)OC ZINC000655734413 431105757 /nfs/dbraw/zinc/10/57/57/431105757.db2.gz HSYXXIYIYMEXQD-MSOLQXFVSA-N 2 1 312.498 2.671 20 0 DFADMP CCOCCC1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCC1 ZINC000655732561 431106208 /nfs/dbraw/zinc/10/62/08/431106208.db2.gz DBYJZSHXGSOWLQ-SFHVURJKSA-N 2 1 324.509 2.816 20 0 DFADMP CC(C)N1CCCC[C@H]1C[N@@H+](C)C[C@@H]1CCc2nccn2C1 ZINC000649460670 431107679 /nfs/dbraw/zinc/10/76/79/431107679.db2.gz KBLODHVTGIUNID-IRXDYDNUSA-N 2 1 304.482 2.640 20 0 DFADMP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655772086 431129328 /nfs/dbraw/zinc/12/93/28/431129328.db2.gz SSPOAVIAFHUCJB-UKRRQHHQSA-N 2 1 302.409 2.655 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@@H+](CC2CC2)C1)CC1CCCCC1 ZINC000645953390 431129477 /nfs/dbraw/zinc/12/94/77/431129477.db2.gz RSPFGIRLGAPXNQ-MSOLQXFVSA-N 2 1 321.509 2.665 20 0 DFADMP Cc1cc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2[nH]1 ZINC000655768517 431127716 /nfs/dbraw/zinc/12/77/16/431127716.db2.gz GUTSJNXDRXOYCO-SFHVURJKSA-N 2 1 313.445 2.819 20 0 DFADMP CC[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)CC(F)(F)F ZINC000655776196 431131314 /nfs/dbraw/zinc/13/13/14/431131314.db2.gz JROLSMUBPPLECV-JSGCOSHPSA-N 2 1 308.388 2.808 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@@H](c3nc(C(F)(F)F)c[nH]3)C2)CC[NH2+]C1 ZINC000262064536 279159035 /nfs/dbraw/zinc/15/90/35/279159035.db2.gz RMCNLROOCBRXPG-BXUZGUMPSA-N 2 1 316.371 2.608 20 0 DFADMP CCN(CC[NH+]1CCCCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000360185027 279186828 /nfs/dbraw/zinc/18/68/28/279186828.db2.gz PAQHTUMSNWBIRE-GOSISDBHSA-N 2 1 323.525 2.975 20 0 DFADMP C[C@H](C(=O)N1CCCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074866 279190692 /nfs/dbraw/zinc/19/06/92/279190692.db2.gz NYXIXQSPWHKVJX-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)C(C)(C)C[NH+](C)C ZINC000359282683 279231588 /nfs/dbraw/zinc/23/15/88/279231588.db2.gz SVMWEHKUXGBFBS-HZPDHXFCSA-N 2 1 319.493 2.599 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000662622167 431137989 /nfs/dbraw/zinc/13/79/89/431137989.db2.gz PULMNXGDRJAWLY-HZPDHXFCSA-N 2 1 317.477 2.702 20 0 DFADMP CCCC[N@@H+](C)CC1CCN([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659848011 431142196 /nfs/dbraw/zinc/14/21/96/431142196.db2.gz VGGLPSBDYBVEFV-CQSZACIVSA-N 2 1 307.486 2.872 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659848011 431142211 /nfs/dbraw/zinc/14/22/11/431142211.db2.gz VGGLPSBDYBVEFV-CQSZACIVSA-N 2 1 307.486 2.872 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)c2nnc(CC)[nH]2)CC1 ZINC000659848011 431142216 /nfs/dbraw/zinc/14/22/16/431142216.db2.gz VGGLPSBDYBVEFV-CQSZACIVSA-N 2 1 307.486 2.872 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000659846659 431142328 /nfs/dbraw/zinc/14/23/28/431142328.db2.gz IDYOHIPBXMYRMM-UHFFFAOYSA-N 2 1 314.539 2.688 20 0 DFADMP CN1CCC[C@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000649572693 431169209 /nfs/dbraw/zinc/16/92/09/431169209.db2.gz FXINQQYMJCQUAR-IBGZPJMESA-N 2 1 316.493 2.714 20 0 DFADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCC[N@@H+]1C ZINC000649572693 431169213 /nfs/dbraw/zinc/16/92/13/431169213.db2.gz FXINQQYMJCQUAR-IBGZPJMESA-N 2 1 316.493 2.714 20 0 DFADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCC[N@H+]1C ZINC000649572693 431169223 /nfs/dbraw/zinc/16/92/23/431169223.db2.gz FXINQQYMJCQUAR-IBGZPJMESA-N 2 1 316.493 2.714 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000646084532 431177946 /nfs/dbraw/zinc/17/79/46/431177946.db2.gz NOBRVGCKKIXPDY-KRWDZBQOSA-N 2 1 305.466 2.915 20 0 DFADMP Cc1cccc(Cl)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106708 431188677 /nfs/dbraw/zinc/18/86/77/431188677.db2.gz MROKBOSQDWXOIT-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP Cc1cccc(Cl)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106708 431188681 /nfs/dbraw/zinc/18/86/81/431188681.db2.gz MROKBOSQDWXOIT-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCSc1ccccc1)CCO2 ZINC000646104533 431189592 /nfs/dbraw/zinc/18/95/92/431189592.db2.gz PUYBZJCTSVQDPB-UHFFFAOYSA-N 2 1 306.475 2.575 20 0 DFADMP CSc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103137 431189783 /nfs/dbraw/zinc/18/97/83/431189783.db2.gz DHIMLMXSCDDLLN-UHFFFAOYSA-N 2 1 306.475 2.705 20 0 DFADMP CSc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646103137 431189790 /nfs/dbraw/zinc/18/97/90/431189790.db2.gz DHIMLMXSCDDLLN-UHFFFAOYSA-N 2 1 306.475 2.705 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000649610034 431195425 /nfs/dbraw/zinc/19/54/25/431195425.db2.gz GECLODSEQYPMSA-WOJBJXKFSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC[C@@H]1CN1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000649610034 431195434 /nfs/dbraw/zinc/19/54/34/431195434.db2.gz GECLODSEQYPMSA-WOJBJXKFSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CCC[C@@H]1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000649610034 431195439 /nfs/dbraw/zinc/19/54/39/431195439.db2.gz GECLODSEQYPMSA-WOJBJXKFSA-N 2 1 313.489 2.679 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCC[N@@H+]3C)CC2)s1 ZINC000649537494 431145393 /nfs/dbraw/zinc/14/53/93/431145393.db2.gz IIFIXGRFHOUAEH-HNNXBMFYSA-N 2 1 307.507 2.522 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000649537494 431145400 /nfs/dbraw/zinc/14/54/00/431145400.db2.gz IIFIXGRFHOUAEH-HNNXBMFYSA-N 2 1 307.507 2.522 20 0 DFADMP CC[NH+](CC)CCN(CCC(F)(F)F)C[C@H]1CCC[N@H+]1C ZINC000649549667 431154019 /nfs/dbraw/zinc/15/40/19/431154019.db2.gz NTNVHGZBKNVFKR-CQSZACIVSA-N 2 1 309.420 2.677 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667417 431156620 /nfs/dbraw/zinc/15/66/20/431156620.db2.gz AAJXHNIHYQBZJG-GOEBONIOSA-N 2 1 309.498 2.534 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667450 431157755 /nfs/dbraw/zinc/15/77/55/431157755.db2.gz AVKBSQAZZXSEJL-RYQLBKOJSA-N 2 1 321.509 2.807 20 0 DFADMP COc1cccc(C2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC2)c1 ZINC000659864168 431158083 /nfs/dbraw/zinc/15/80/83/431158083.db2.gz JWIUJZOFQJUJKC-SFHVURJKSA-N 2 1 320.477 2.576 20 0 DFADMP COc1cccc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC2)c1 ZINC000659864168 431158090 /nfs/dbraw/zinc/15/80/90/431158090.db2.gz JWIUJZOFQJUJKC-SFHVURJKSA-N 2 1 320.477 2.576 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000662845761 431215247 /nfs/dbraw/zinc/21/52/47/431215247.db2.gz KOYPONXPBDCFAU-SWLSCSKDSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC1(C[NH3+])CCCCC1 ZINC000646193829 431223383 /nfs/dbraw/zinc/22/33/83/431223383.db2.gz BAWBGPHSAAZCLB-IRXDYDNUSA-N 2 1 321.509 2.761 20 0 DFADMP C[C@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000662886824 431227741 /nfs/dbraw/zinc/22/77/41/431227741.db2.gz OMMUPEKMICHWLQ-CZUORRHYSA-N 2 1 323.868 2.576 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000649709988 431248697 /nfs/dbraw/zinc/24/86/97/431248697.db2.gz IIZVLGDJVUMOLB-UHFFFAOYSA-N 2 1 305.319 2.948 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000646274613 431250116 /nfs/dbraw/zinc/25/01/16/431250116.db2.gz XRZWOQHPPSMFOO-RDJZCZTQSA-N 2 1 323.868 2.590 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000646274613 431250118 /nfs/dbraw/zinc/25/01/18/431250118.db2.gz XRZWOQHPPSMFOO-RDJZCZTQSA-N 2 1 323.868 2.590 20 0 DFADMP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[N@@H+](CC3CC3)C2)CCCCC1 ZINC000663005665 431255088 /nfs/dbraw/zinc/25/50/88/431255088.db2.gz XIAHGUWPVOOOMA-KRWDZBQOSA-N 2 1 321.509 2.524 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000660118794 431278881 /nfs/dbraw/zinc/27/88/81/431278881.db2.gz WYVUVLXXNLUJDP-APIJFGDWSA-N 2 1 304.425 2.851 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660114688 431278966 /nfs/dbraw/zinc/27/89/66/431278966.db2.gz JURFNLGHVZQFOV-DMUMMCEESA-N 2 1 319.537 2.913 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2cn(C)cn2)CC1)CC1CC1 ZINC000660168452 431299754 /nfs/dbraw/zinc/29/97/54/431299754.db2.gz RRABIVYNSDXZQF-UHFFFAOYSA-N 2 1 304.482 2.754 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000656197090 431304666 /nfs/dbraw/zinc/30/46/66/431304666.db2.gz BURGSFNYCUIYBF-BZUAXINKSA-N 2 1 307.507 2.820 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC[C@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000656197090 431304671 /nfs/dbraw/zinc/30/46/71/431304671.db2.gz BURGSFNYCUIYBF-BZUAXINKSA-N 3 1 307.507 2.820 20 0 DFADMP CC[N@@H+](CCCNC(=O)C[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653200551 431306032 /nfs/dbraw/zinc/30/60/32/431306032.db2.gz IJBDKTZOOVGNHE-QGZVFWFLSA-N 2 1 323.525 2.927 20 0 DFADMP CC[C@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000653200621 431306374 /nfs/dbraw/zinc/30/63/74/431306374.db2.gz KSGPYSGMTRWLEO-DLBZAZTESA-N 2 1 309.498 2.535 20 0 DFADMP CC[N@@H+](CCCNC(=O)C[C@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000653200550 431306513 /nfs/dbraw/zinc/30/65/13/431306513.db2.gz IJBDKTZOOVGNHE-KRWDZBQOSA-N 2 1 323.525 2.927 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000653108895 431269895 /nfs/dbraw/zinc/26/98/95/431269895.db2.gz LXIOBARGGCPIRD-MRXNPFEDSA-N 2 1 317.477 2.533 20 0 DFADMP COC[C@H]1CCC[NH+]1CCC(C)CC[N@@H+]1CCC[C@@H]1COC ZINC000663065381 431275083 /nfs/dbraw/zinc/27/50/83/431275083.db2.gz CYOJOEFXAYZXQN-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)(O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663306969 431356372 /nfs/dbraw/zinc/35/63/72/431356372.db2.gz QAOIOAKMZWUCFQ-KRWDZBQOSA-N 2 1 302.462 2.649 20 0 DFADMP c1c2ccccc2[nH]c1C[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000656281434 431357846 /nfs/dbraw/zinc/35/78/46/431357846.db2.gz XVVFWRVIEYUOIK-SFHVURJKSA-N 2 1 313.445 2.855 20 0 DFADMP Cn1cc(C[NH2+]CC2([NH3+])CCC2)c(-c2cc3ccccc3o2)n1 ZINC000666829626 431373976 /nfs/dbraw/zinc/37/39/76/431373976.db2.gz WNMZFKPVQLJNTO-UHFFFAOYSA-N 2 1 310.401 2.804 20 0 DFADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)n21 ZINC000663345034 431375330 /nfs/dbraw/zinc/37/53/30/431375330.db2.gz FYGDUVIIXUUSFX-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1cccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)n21 ZINC000663345034 431375336 /nfs/dbraw/zinc/37/53/36/431375336.db2.gz FYGDUVIIXUUSFX-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)n2c1 ZINC000663345915 431375722 /nfs/dbraw/zinc/37/57/22/431375722.db2.gz OSHUOAVGXAMKBA-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1ccc2ncc(C[NH2+]C[C@@H]3CCC[N@@H+](CC4CC4)C3)n2c1 ZINC000663345915 431375728 /nfs/dbraw/zinc/37/57/28/431375728.db2.gz OSHUOAVGXAMKBA-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344823 431376933 /nfs/dbraw/zinc/37/69/33/431376933.db2.gz YEVLYSHIYKGPPY-INIZCTEOSA-N 2 1 316.493 2.899 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344823 431376940 /nfs/dbraw/zinc/37/69/40/431376940.db2.gz YEVLYSHIYKGPPY-INIZCTEOSA-N 2 1 316.493 2.899 20 0 DFADMP c1ccc(N2CC[C@H]([NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)C2)cc1 ZINC000663347146 431377307 /nfs/dbraw/zinc/37/73/07/431377307.db2.gz ZWHHUWFBZKZTHO-MOPGFXCFSA-N 2 1 313.489 2.977 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663360494 431385701 /nfs/dbraw/zinc/38/57/01/431385701.db2.gz POKZEDVTKLARIC-QGZVFWFLSA-N 2 1 317.477 2.607 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000649971049 431388874 /nfs/dbraw/zinc/38/88/74/431388874.db2.gz JIXYQKXYAMVZJA-UHFFFAOYSA-N 2 1 320.481 2.848 20 0 DFADMP CC[C@H]1CN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[C@H]1[NH3+] ZINC000653472123 431389941 /nfs/dbraw/zinc/38/99/41/431389941.db2.gz GQGHYCOOBMNNRL-LSDHHAIUSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH2+]CC1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000653471956 431390188 /nfs/dbraw/zinc/39/01/88/431390188.db2.gz BMOGHXDFHNEZJW-UHFFFAOYSA-N 2 1 317.481 2.539 20 0 DFADMP C[C@H]1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C[C@@H]1C[NH3+] ZINC000653472462 431392967 /nfs/dbraw/zinc/39/29/67/431392967.db2.gz QUGVDNTUFNALDY-GJZGRUSLSA-N 2 1 317.481 2.524 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@@H]3CCC[C@@H]([NH3+])C3)n2)C1 ZINC000653472470 431393182 /nfs/dbraw/zinc/39/31/82/431393182.db2.gz QXXNKSNHDQVVNY-ZIAGYGMSSA-N 2 1 303.454 2.785 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@H]3CCC[C@@H]([NH3+])C3)n2)C1 ZINC000653472468 431393407 /nfs/dbraw/zinc/39/34/07/431393407.db2.gz QXXNKSNHDQVVNY-KGLIPLIRSA-N 2 1 303.454 2.785 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N3CCC[C@H](CC[NH3+])C3)n2)C1 ZINC000653472370 431393536 /nfs/dbraw/zinc/39/35/36/431393536.db2.gz NZANEFKBNFUYIS-OAHLLOKOSA-N 2 1 317.481 2.668 20 0 DFADMP CCC[C@H]([NH3+])c1cn(C[C@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656469012 431398510 /nfs/dbraw/zinc/39/85/10/431398510.db2.gz YMMOTPFXSLXTMK-IRXDYDNUSA-N 2 1 313.449 2.600 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666993684 431438841 /nfs/dbraw/zinc/43/88/41/431438841.db2.gz BKYHYXJAACJIMM-MRXNPFEDSA-N 2 1 310.445 2.945 20 0 DFADMP CC[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[C@@H]1[NH3+] ZINC000647012115 431446448 /nfs/dbraw/zinc/44/64/48/431446448.db2.gz OFLAEAYXPAHCFW-UHOFOFEASA-N 2 1 323.868 2.529 20 0 DFADMP CCc1ccccc1CC[N@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000660476709 431449174 /nfs/dbraw/zinc/44/91/74/431449174.db2.gz FDUHLTOLLCFQAF-FQEVSTJZSA-N 2 1 316.489 2.978 20 0 DFADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000660475945 431449809 /nfs/dbraw/zinc/44/98/09/431449809.db2.gz ZZLJUSIVBHIMDV-AEFFLSMTSA-N 2 1 318.461 2.943 20 0 DFADMP C[C@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000653594328 431451461 /nfs/dbraw/zinc/45/14/61/431451461.db2.gz MRARASAGNZFSGK-FUHWJXTLSA-N 2 1 307.526 2.771 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](CC(C)C)c1ccccc1OC ZINC000653606903 431456246 /nfs/dbraw/zinc/45/62/46/431456246.db2.gz KIDXYVKDVMSXID-RDJZCZTQSA-N 2 1 308.466 2.685 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc(OCC(C)C)cc1 ZINC000653607168 431457030 /nfs/dbraw/zinc/45/70/30/431457030.db2.gz WRDXFIMNTMDFLM-WBVHZDCISA-N 2 1 308.466 2.685 20 0 DFADMP CCN(C)C[C@@H](O)C[NH2+][C@H](C)c1ccc(OCC(C)C)cc1 ZINC000653607168 431457038 /nfs/dbraw/zinc/45/70/38/431457038.db2.gz WRDXFIMNTMDFLM-WBVHZDCISA-N 2 1 308.466 2.685 20 0 DFADMP c1cc2c(cc[nH+]c2N2CCC[N@H+](Cc3cscn3)CC2)[nH]1 ZINC000663531078 431459070 /nfs/dbraw/zinc/45/90/70/431459070.db2.gz ULEZPCGXTXJAJT-UHFFFAOYSA-N 2 1 313.430 2.732 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000653611030 431459902 /nfs/dbraw/zinc/45/99/02/431459902.db2.gz FEQWSVKLVHTORD-SFHVURJKSA-N 2 1 304.478 2.655 20 0 DFADMP Clc1cscc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000667058313 431462275 /nfs/dbraw/zinc/46/22/75/431462275.db2.gz JAUBGYBVNXZIGZ-OCCSQVGLSA-N 2 1 312.866 2.602 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000653622858 431465667 /nfs/dbraw/zinc/46/56/67/431465667.db2.gz XULCZTOONLZJPY-NZSAHSFTSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1Oc1cccc(C)c1 ZINC000653622858 431465673 /nfs/dbraw/zinc/46/56/73/431465673.db2.gz XULCZTOONLZJPY-NZSAHSFTSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@H+]1CCCN(c2nccc3cc(OC)c(OC)cc32)CC1 ZINC000663578408 431472378 /nfs/dbraw/zinc/47/23/78/431472378.db2.gz ASXDUOZZEHXQMK-UHFFFAOYSA-N 2 1 315.417 2.784 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663467215 431430398 /nfs/dbraw/zinc/43/03/98/431430398.db2.gz DSCPWQXKTWZUNF-WBVHZDCISA-N 2 1 302.466 2.509 20 0 DFADMP c1cc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)cc(C2CCCC2)c1 ZINC000656785244 431522033 /nfs/dbraw/zinc/52/20/33/431522033.db2.gz FYGYYPPXEWZBQT-HXUWFJFHSA-N 2 1 313.489 2.824 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCCC[C@H]1Cc1ccccc1F ZINC000653779280 431522854 /nfs/dbraw/zinc/52/28/54/431522854.db2.gz SKPSFGWMDAMHHS-IRXDYDNUSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779280 431522868 /nfs/dbraw/zinc/52/28/68/431522868.db2.gz SKPSFGWMDAMHHS-IRXDYDNUSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1F ZINC000653779280 431522874 /nfs/dbraw/zinc/52/28/74/431522874.db2.gz SKPSFGWMDAMHHS-IRXDYDNUSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@H]1C[C@H](NCC2([NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000656789093 431525172 /nfs/dbraw/zinc/52/51/72/431525172.db2.gz IVFLGRUFZBUFNN-FUHWJXTLSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000647248768 431527263 /nfs/dbraw/zinc/52/72/63/431527263.db2.gz BQRMRHRQAUTDKT-MMTROXRISA-N 2 1 313.489 2.547 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000647248768 431527268 /nfs/dbraw/zinc/52/72/68/431527268.db2.gz BQRMRHRQAUTDKT-MMTROXRISA-N 2 1 313.489 2.547 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000647248768 431527276 /nfs/dbraw/zinc/52/72/76/431527276.db2.gz BQRMRHRQAUTDKT-MMTROXRISA-N 2 1 313.489 2.547 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000653682617 431489207 /nfs/dbraw/zinc/48/92/07/431489207.db2.gz OPLVLOOQAZARIY-PKOBYXMFSA-N 2 1 310.445 2.849 20 0 DFADMP C[C@@](O)(C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647182747 431497962 /nfs/dbraw/zinc/49/79/62/431497962.db2.gz QUHJIEFPSKJHNO-RTBURBONSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@](O)(C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000647182747 431497971 /nfs/dbraw/zinc/49/79/71/431497971.db2.gz QUHJIEFPSKJHNO-RTBURBONSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)CO1 ZINC000647192731 431504257 /nfs/dbraw/zinc/50/42/57/431504257.db2.gz VSUGRVXDYQJPIM-DARIXABFSA-N 2 1 302.462 2.910 20 0 DFADMP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647196477 431504862 /nfs/dbraw/zinc/50/48/62/431504862.db2.gz AFKVAZQAYRLFBS-OALUTQOASA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647196477 431504869 /nfs/dbraw/zinc/50/48/69/431504869.db2.gz AFKVAZQAYRLFBS-OALUTQOASA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@H]1C=C[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647193047 431505496 /nfs/dbraw/zinc/50/54/96/431505496.db2.gz JGBBEGALXOUWNH-OTWHNJEPSA-N 2 1 312.457 2.710 20 0 DFADMP OC[C@H]1C=C[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647193047 431505503 /nfs/dbraw/zinc/50/55/03/431505503.db2.gz JGBBEGALXOUWNH-OTWHNJEPSA-N 2 1 312.457 2.710 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000647215320 431513962 /nfs/dbraw/zinc/51/39/62/431513962.db2.gz PKUXMMAYRKWDPR-AYHJJNSGSA-N 2 1 310.445 2.896 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000647215320 431513967 /nfs/dbraw/zinc/51/39/67/431513967.db2.gz PKUXMMAYRKWDPR-AYHJJNSGSA-N 2 1 310.445 2.896 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@@]1(C)CCCO1 ZINC000647344621 431560127 /nfs/dbraw/zinc/56/01/27/431560127.db2.gz VRFJCWHHHXYBSN-WZGPROSRSA-N 2 1 302.462 2.879 20 0 DFADMP Cc1cnc(OC2CC[NH+](CC[C@@H]3CCCC[N@H+]3C)CC2)nc1 ZINC000653801507 431533385 /nfs/dbraw/zinc/53/33/85/431533385.db2.gz JOFIQFBCCIYIMZ-INIZCTEOSA-N 2 1 318.465 2.503 20 0 DFADMP Cc1cnc(OC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)nc1 ZINC000653801507 431533391 /nfs/dbraw/zinc/53/33/91/431533391.db2.gz JOFIQFBCCIYIMZ-INIZCTEOSA-N 2 1 318.465 2.503 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000660655518 431533483 /nfs/dbraw/zinc/53/34/83/431533483.db2.gz ORYVXUHYHICGBZ-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000660655518 431533488 /nfs/dbraw/zinc/53/34/88/431533488.db2.gz ORYVXUHYHICGBZ-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccc(F)cc1)C2 ZINC000660655518 431533491 /nfs/dbraw/zinc/53/34/91/431533491.db2.gz ORYVXUHYHICGBZ-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@]3(CC[N@H+](C)C3)C2)c1C ZINC000660658985 431537716 /nfs/dbraw/zinc/53/77/16/431537716.db2.gz LNJVVUNDZSISMI-GOSISDBHSA-N 2 1 303.450 2.625 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@]3(CC[N@@H+](C)C3)C2)c1C ZINC000660658985 431537725 /nfs/dbraw/zinc/53/77/25/431537725.db2.gz LNJVVUNDZSISMI-GOSISDBHSA-N 2 1 303.450 2.625 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccncc1 ZINC000647288251 431539048 /nfs/dbraw/zinc/53/90/48/431539048.db2.gz VSLSLOSFUKJMIC-LJQANCHMSA-N 2 1 318.509 2.786 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F ZINC000660670206 431541987 /nfs/dbraw/zinc/54/19/87/431541987.db2.gz CJKOGJFQYNZXBH-MJBXVCDLSA-N 2 1 310.404 2.788 20 0 DFADMP CC[C@@](C)(CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647297805 431543331 /nfs/dbraw/zinc/54/33/31/431543331.db2.gz GLQWFOWXYGIQSS-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@@](C)(CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647297805 431543334 /nfs/dbraw/zinc/54/33/34/431543334.db2.gz GLQWFOWXYGIQSS-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP C[NH+](C)CCCC(C)(C)NC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000653845211 431550247 /nfs/dbraw/zinc/55/02/47/431550247.db2.gz JYTXOJPKEXJJNB-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)OCCc2sccc21 ZINC000353610152 280158631 /nfs/dbraw/zinc/15/86/31/280158631.db2.gz LSLZVTWURPMWBN-CKEIUWERSA-N 2 1 306.475 2.752 20 0 DFADMP CC(C)[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[NH+]1CCCCC1 ZINC000354842371 280170703 /nfs/dbraw/zinc/17/07/03/280170703.db2.gz WEYSAOGTWXPOHN-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354736547 280182304 /nfs/dbraw/zinc/18/23/04/280182304.db2.gz SOHVPCPWOQZONQ-KZNAEPCWSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCC[C@H]1c1ccccc1 ZINC000660774843 431593090 /nfs/dbraw/zinc/59/30/90/431593090.db2.gz BZTOEMVGMRHHDV-FHWLQOOXSA-N 2 1 304.478 2.956 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@H]1[NH3+] ZINC000647497749 431604914 /nfs/dbraw/zinc/60/49/14/431604914.db2.gz TWIRIQFQIJKDHD-DNVCBOLYSA-N 2 1 312.461 2.955 20 0 DFADMP c1cnc(Oc2ccc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)cc2)cn1 ZINC000647483066 431601998 /nfs/dbraw/zinc/60/19/98/431601998.db2.gz WGDJANKLCHXHEC-UHFFFAOYSA-N 2 1 324.428 2.985 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480695 431602793 /nfs/dbraw/zinc/60/27/93/431602793.db2.gz XLBUACWQWKSIAM-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP Cn1nccc1[C@H]1[C@H](CNc2[nH+]ccc3[nH]ccc32)CCC[N@H+]1C ZINC000663898037 431584920 /nfs/dbraw/zinc/58/49/20/431584920.db2.gz BAYATEVIVITFQI-SUMWQHHRSA-N 2 1 324.432 2.791 20 0 DFADMP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cs1 ZINC000650706576 431653432 /nfs/dbraw/zinc/65/34/32/431653432.db2.gz NPSPGDQCNXJTRW-OFQRWUPVSA-N 2 1 323.506 2.985 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cnc(C4CC4)s3)C2)C1 ZINC000650707581 431654219 /nfs/dbraw/zinc/65/42/19/431654219.db2.gz IZGYNUHTKWAQHT-FMKPAKJESA-N 2 1 321.490 2.739 20 0 DFADMP CC[NH+](CC)Cc1ccc(CNCc2cnc3n2CCC3)cc1 ZINC000657298950 431654646 /nfs/dbraw/zinc/65/46/46/431654646.db2.gz YQVJUYIUAJFBKV-UHFFFAOYSA-N 3 1 312.461 2.961 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650705916 431654977 /nfs/dbraw/zinc/65/49/77/431654977.db2.gz AFCZMQXJBMPISU-RYQLBKOJSA-N 2 1 306.425 2.852 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000650714690 431659563 /nfs/dbraw/zinc/65/95/63/431659563.db2.gz YSILLGIIFSGDNY-CRAIPNDOSA-N 2 1 300.402 2.742 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(-c3ccccc3)o2)C[C@H]1C[NH3+] ZINC000650714690 431659569 /nfs/dbraw/zinc/65/95/69/431659569.db2.gz YSILLGIIFSGDNY-CRAIPNDOSA-N 2 1 300.402 2.742 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000647487301 431605839 /nfs/dbraw/zinc/60/58/39/431605839.db2.gz XEDZUBJXHYECEX-XYPWUTKMSA-N 2 1 314.433 2.703 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)o1 ZINC000647487301 431605842 /nfs/dbraw/zinc/60/58/42/431605842.db2.gz XEDZUBJXHYECEX-XYPWUTKMSA-N 2 1 314.433 2.703 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(C)cc2-c2ccnn2C)CC[C@@H]1[NH3+] ZINC000647497758 431606500 /nfs/dbraw/zinc/60/65/00/431606500.db2.gz UDYAOCBVLVTWGF-QAPCUYQASA-N 2 1 312.461 2.955 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)o1 ZINC000647496494 431607350 /nfs/dbraw/zinc/60/73/50/431607350.db2.gz LFVDFNOTKWRRAL-ZIAGYGMSSA-N 2 1 302.422 2.548 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)CC[C@H]1[NH3+] ZINC000647498610 431610018 /nfs/dbraw/zinc/61/00/18/431610018.db2.gz KZKYOIPZHHYKAM-MLGOLLRUSA-N 2 1 302.397 2.775 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)o1 ZINC000647511821 431612306 /nfs/dbraw/zinc/61/23/06/431612306.db2.gz ILBQRVANDJHMKZ-IMJJTQAJSA-N 2 1 314.433 2.548 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000647518084 431614830 /nfs/dbraw/zinc/61/48/30/431614830.db2.gz CWEYUDILSAEGEY-INIZCTEOSA-N 2 1 316.493 2.971 20 0 DFADMP Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532611 431617191 /nfs/dbraw/zinc/61/71/91/431617191.db2.gz UCZVXDHKRMUURE-RBUKOAKNSA-N 2 1 324.472 2.666 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccccc1-n1cncn1 ZINC000647535283 431619760 /nfs/dbraw/zinc/61/97/60/431619760.db2.gz CACBOMBLUSEOGS-UHFFFAOYSA-N 2 1 321.428 2.618 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)c(F)c1 ZINC000650716542 431660852 /nfs/dbraw/zinc/66/08/52/431660852.db2.gz BLVPKMPFPYDIDM-MJGOQNOKSA-N 2 1 313.420 2.867 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000647537127 431621150 /nfs/dbraw/zinc/62/11/50/431621150.db2.gz ZTPFILXMEVGHMY-GOSISDBHSA-N 2 1 302.466 2.502 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cn1 ZINC000647537127 431621153 /nfs/dbraw/zinc/62/11/53/431621153.db2.gz ZTPFILXMEVGHMY-GOSISDBHSA-N 2 1 302.466 2.502 20 0 DFADMP Cn1cc(C[N@H+](C)C2CC([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647544857 431624244 /nfs/dbraw/zinc/62/42/44/431624244.db2.gz KKQMPKVTYBRRRR-UHFFFAOYSA-N 2 1 310.401 2.755 20 0 DFADMP Cn1cc(C[N@@H+](C)C2CC([NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647544857 431624247 /nfs/dbraw/zinc/62/42/47/431624247.db2.gz KKQMPKVTYBRRRR-UHFFFAOYSA-N 2 1 310.401 2.755 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544166 431624467 /nfs/dbraw/zinc/62/44/67/431624467.db2.gz XSBYUNKTSWARFZ-HOTGVXAUSA-N 2 1 316.445 2.669 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543869 431624485 /nfs/dbraw/zinc/62/44/85/431624485.db2.gz TUVRTTHALCYVSD-CABCVRRESA-N 2 1 304.482 2.919 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543521 431624803 /nfs/dbraw/zinc/62/48/03/431624803.db2.gz ORXBYXASJZKIII-DLBZAZTESA-N 2 1 315.461 2.857 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cn1 ZINC000647543315 431625344 /nfs/dbraw/zinc/62/53/44/431625344.db2.gz KXMJTOTVCOIHPM-ROUUACIJSA-N 2 1 316.493 2.749 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544259 431625471 /nfs/dbraw/zinc/62/54/71/431625471.db2.gz YTIQVGQECZVNPV-ZWKOTPCHSA-N 2 1 315.461 2.857 20 0 DFADMP Cc1cccn2c(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)cnc12 ZINC000647543406 431625640 /nfs/dbraw/zinc/62/56/40/431625640.db2.gz MUOPTNOKKDEAHL-IAGOWNOFSA-N 2 1 312.461 2.854 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543335 431626155 /nfs/dbraw/zinc/62/61/55/431626155.db2.gz LEKLSIAYWNMVQC-HZPDHXFCSA-N 2 1 312.461 2.785 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647544096 431626375 /nfs/dbraw/zinc/62/63/75/431626375.db2.gz WRCHNEYOCHDKNX-ZWKOTPCHSA-N 2 1 300.446 2.833 20 0 DFADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCCc2nc(-c3ccncc3)cs2)C1 ZINC000647550136 431627394 /nfs/dbraw/zinc/62/73/94/431627394.db2.gz BLGQXNRECWNRCI-ZFWWWQNUSA-N 2 1 316.474 2.725 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650722456 431664194 /nfs/dbraw/zinc/66/41/94/431664194.db2.gz UGZHDFAIJZPIRA-YXJHDRRASA-N 2 1 322.424 2.695 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1F ZINC000650723130 431665344 /nfs/dbraw/zinc/66/53/44/431665344.db2.gz HVMNHDZPKYXYBL-BFYDXBDKSA-N 2 1 322.424 2.695 20 0 DFADMP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000650720055 431665708 /nfs/dbraw/zinc/66/57/08/431665708.db2.gz DABHGECPOXZWPR-WOJBJXKFSA-N 3 1 309.457 2.989 20 0 DFADMP C[NH2+]Cc1ccccc1CN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000650720055 431665710 /nfs/dbraw/zinc/66/57/10/431665710.db2.gz DABHGECPOXZWPR-WOJBJXKFSA-N 2 1 309.457 2.989 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2cc(F)cc(F)c2)C1 ZINC000650723511 431666309 /nfs/dbraw/zinc/66/63/09/431666309.db2.gz PLXZDDXLKDKVRC-IKGGRYGDSA-N 2 1 310.388 2.826 20 0 DFADMP COc1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)ccc1C ZINC000650724168 431667960 /nfs/dbraw/zinc/66/79/60/431667960.db2.gz ZLFDTOKNPUSSLK-LMMKCTJWSA-N 2 1 318.461 2.864 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cc3n(n2)CCC3)C1 ZINC000657313835 431667990 /nfs/dbraw/zinc/66/79/90/431667990.db2.gz VGCWZUWAXBXOOI-IYBDPMFKSA-N 2 1 304.482 2.677 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+]Cc2ccnn2CC2CC2)C1 ZINC000657312999 431668784 /nfs/dbraw/zinc/66/87/84/431668784.db2.gz OTCWYXMAHXPZDI-HZPDHXFCSA-N 2 1 304.482 2.751 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cn1 ZINC000650724505 431668831 /nfs/dbraw/zinc/66/88/31/431668831.db2.gz HWQDBTARPOJIMT-GUDVDZBRSA-N 2 1 317.477 2.683 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000657318365 431672618 /nfs/dbraw/zinc/67/26/18/431672618.db2.gz KOWPEFSALRNCME-UHFFFAOYSA-N 2 1 302.466 2.652 20 0 DFADMP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650762677 431683828 /nfs/dbraw/zinc/68/38/28/431683828.db2.gz HSMLKOINMZIDRG-PXNSSMCTSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CCC1CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000650762677 431683831 /nfs/dbraw/zinc/68/38/31/431683831.db2.gz HSMLKOINMZIDRG-PXNSSMCTSA-N 2 1 315.505 2.876 20 0 DFADMP Fc1ccc([C@H](NCc2cnc3n2CCC3)[C@H]2CCCO2)cc1 ZINC000657334514 431684347 /nfs/dbraw/zinc/68/43/47/431684347.db2.gz CDSRLCJLDYZOIL-AEFFLSMTSA-N 2 1 315.392 2.978 20 0 DFADMP C[C@@H]([NH2+]CCc1ccc2c(c1)OC(F)(F)O2)c1c[nH+]ccc1N ZINC000650761304 431686097 /nfs/dbraw/zinc/68/60/97/431686097.db2.gz XDZLODCBHQYNJS-SNVBAGLBSA-N 2 1 321.327 2.709 20 0 DFADMP c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000647788519 431687863 /nfs/dbraw/zinc/68/78/63/431687863.db2.gz LBUFRGALTNJRCK-QRVBRYPASA-N 2 1 302.462 2.756 20 0 DFADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000647800399 431692171 /nfs/dbraw/zinc/69/21/71/431692171.db2.gz ANUPVGXJWSKWKT-ZRSRNVLSSA-N 2 1 300.446 2.537 20 0 DFADMP CC[C@@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@H]1CCCC[NH2+]1 ZINC000647804240 431695223 /nfs/dbraw/zinc/69/52/23/431695223.db2.gz MGJDLXGAZNOKFC-IAGOWNOFSA-N 2 1 300.450 2.696 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C1CC1)C1CC[NH2+]CC1 ZINC000647814708 431696529 /nfs/dbraw/zinc/69/65/29/431696529.db2.gz AONCVMXOIUAJPD-UHFFFAOYSA-N 2 1 319.424 2.679 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000657354591 431697695 /nfs/dbraw/zinc/69/76/95/431697695.db2.gz SGDUOQUITZXMRF-GUDVDZBRSA-N 2 1 302.462 2.708 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1c(C2CCC2)cnn1C ZINC000657375256 431712460 /nfs/dbraw/zinc/71/24/60/431712460.db2.gz WRTJKWSLWLYENG-UHFFFAOYSA-N 2 1 301.438 2.763 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647902686 431724030 /nfs/dbraw/zinc/72/40/30/431724030.db2.gz BCNZMMMHIKDUJN-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647904189 431724252 /nfs/dbraw/zinc/72/42/52/431724252.db2.gz YDXMAJYXNCZOCO-SJLPKXTDSA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647904189 431724257 /nfs/dbraw/zinc/72/42/57/431724257.db2.gz YDXMAJYXNCZOCO-SJLPKXTDSA-N 2 1 301.434 2.609 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)N[C@@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000664304694 431728712 /nfs/dbraw/zinc/72/87/12/431728712.db2.gz ILQVVIUFDUFBKY-MRXNPFEDSA-N 2 1 318.465 2.743 20 0 DFADMP CC[C@@H](C)[N@@H+](CC)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000661103124 431732344 /nfs/dbraw/zinc/73/23/44/431732344.db2.gz DUENINGGLUCXQU-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP COc1ccc(C[NH+](C)C)cc1NCc1c[nH+]c2n1CCC2 ZINC000657406592 431732551 /nfs/dbraw/zinc/73/25/51/431732551.db2.gz GTYHQIFWUPYNRN-UHFFFAOYSA-N 2 1 300.406 2.512 20 0 DFADMP Cc1cc(C)cc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000664314358 431733152 /nfs/dbraw/zinc/73/31/52/431733152.db2.gz HYWBGBPEKOTBJN-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP Cc1cc(C)cc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664314358 431733157 /nfs/dbraw/zinc/73/31/57/431733157.db2.gz HYWBGBPEKOTBJN-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP Cc1ccc(F)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000664314126 431733492 /nfs/dbraw/zinc/73/34/92/431733492.db2.gz GRQKNXLUBRTNIU-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP Cc1ccc(F)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000664314126 431733496 /nfs/dbraw/zinc/73/34/96/431733496.db2.gz GRQKNXLUBRTNIU-AWEZNQCLSA-N 2 1 324.444 2.528 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccn(-c3cccc(F)c3)n2)C1 ZINC000647951200 431743016 /nfs/dbraw/zinc/74/30/16/431743016.db2.gz DCNNGNJSFIAUIU-CQSZACIVSA-N 2 1 302.397 2.572 20 0 DFADMP CCOc1ccc2c(c1)[C@H]([NH2+]Cc1cnc(C)n1C)CCO2 ZINC000657438192 431751076 /nfs/dbraw/zinc/75/10/76/431751076.db2.gz WNHSJBYANGPPPL-MRXNPFEDSA-N 2 1 301.390 2.741 20 0 DFADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000647960157 431752227 /nfs/dbraw/zinc/75/22/27/431752227.db2.gz JEDKKZRKVQEENB-PMACEKPBSA-N 2 1 318.505 2.957 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000647960157 431752231 /nfs/dbraw/zinc/75/22/31/431752231.db2.gz JEDKKZRKVQEENB-PMACEKPBSA-N 2 1 318.505 2.957 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H]1CCc2ccccc2C1 ZINC000647960157 431752234 /nfs/dbraw/zinc/75/22/34/431752234.db2.gz JEDKKZRKVQEENB-PMACEKPBSA-N 2 1 318.505 2.957 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964574 431757265 /nfs/dbraw/zinc/75/72/65/431757265.db2.gz PGMJDZLIJILYRE-YOEHRIQHSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964574 431757268 /nfs/dbraw/zinc/75/72/68/431757268.db2.gz PGMJDZLIJILYRE-YOEHRIQHSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964574 431757271 /nfs/dbraw/zinc/75/72/71/431757271.db2.gz PGMJDZLIJILYRE-YOEHRIQHSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H](C)Cc1ccc(Cl)cc1 ZINC000647964574 431757274 /nfs/dbraw/zinc/75/72/74/431757274.db2.gz PGMJDZLIJILYRE-YOEHRIQHSA-N 2 1 312.885 2.904 20 0 DFADMP Cc1ccc(C[C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647964003 431757408 /nfs/dbraw/zinc/75/74/08/431757408.db2.gz MIARARXXYSDPPC-RTBURBONSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647964003 431757413 /nfs/dbraw/zinc/75/74/13/431757413.db2.gz MIARARXXYSDPPC-RTBURBONSA-N 2 1 304.478 2.703 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647964003 431757419 /nfs/dbraw/zinc/75/74/19/431757419.db2.gz MIARARXXYSDPPC-RTBURBONSA-N 2 1 304.478 2.703 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3ccncc3s2)CCCO1 ZINC000657448536 431757661 /nfs/dbraw/zinc/75/76/61/431757661.db2.gz LBCIMKNYNSNNPT-AWEZNQCLSA-N 2 1 319.474 2.887 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c(C)c1 ZINC000657449252 431760525 /nfs/dbraw/zinc/76/05/25/431760525.db2.gz SAKSFFDNSBQCQG-KRWDZBQOSA-N 2 1 320.477 2.984 20 0 DFADMP COc1ccc(CC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977081 431761174 /nfs/dbraw/zinc/76/11/74/431761174.db2.gz XRIVJYXRWZXZDS-QZTJIDSGSA-N 2 1 302.462 2.949 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647976335 431762629 /nfs/dbraw/zinc/76/26/29/431762629.db2.gz NGNGIPLWKIOWAZ-IRXDYDNUSA-N 2 1 318.461 2.786 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647975372 431763103 /nfs/dbraw/zinc/76/31/03/431763103.db2.gz YRNTUJQZEZVTPP-IAGOWNOFSA-N 2 1 315.461 2.645 20 0 DFADMP C[C@H](CCNCc1cnc2n1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000657382009 431714826 /nfs/dbraw/zinc/71/48/26/431714826.db2.gz FFGSVAVPONMCPM-MRXNPFEDSA-N 2 1 312.461 2.830 20 0 DFADMP O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@H]2CC[NH2+]C2)CC1 ZINC000647877099 431715839 /nfs/dbraw/zinc/71/58/39/431715839.db2.gz IKCCVKTZQRGVPB-ZDUSSCGKSA-N 2 1 306.837 2.844 20 0 DFADMP CC(C)c1nc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cs1 ZINC000261941134 280662263 /nfs/dbraw/zinc/66/22/63/280662263.db2.gz MXSUGMJMRRZWAX-ARFHVFGLSA-N 2 1 323.506 2.556 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccccc1Br ZINC000647890703 431717969 /nfs/dbraw/zinc/71/79/69/431717969.db2.gz HTCVERYORJDLRX-AWEZNQCLSA-N 2 1 313.239 2.561 20 0 DFADMP CCC[N@H+](CC)CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657385132 431718326 /nfs/dbraw/zinc/71/83/26/431718326.db2.gz YLIRYXNZYSANFS-FUHWJXTLSA-N 2 1 322.497 2.692 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657385132 431718332 /nfs/dbraw/zinc/71/83/32/431718332.db2.gz YLIRYXNZYSANFS-FUHWJXTLSA-N 2 1 322.497 2.692 20 0 DFADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000647884470 431718618 /nfs/dbraw/zinc/71/86/18/431718618.db2.gz UJMKUYYNJMWYTB-GOSISDBHSA-N 2 1 315.461 2.504 20 0 DFADMP C[C@H](C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648071960 431807922 /nfs/dbraw/zinc/80/79/22/431807922.db2.gz DDGYWUMHSWNWDT-CQSZACIVSA-N 2 1 324.415 2.865 20 0 DFADMP C[C@H](C[N@H+]1CCOC2(CC[NH+](C)CC2)C1)c1cc(F)cc(F)c1 ZINC000648071960 431807925 /nfs/dbraw/zinc/80/79/25/431807925.db2.gz DDGYWUMHSWNWDT-CQSZACIVSA-N 2 1 324.415 2.865 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](CCc1cccc(Cl)c1)CCO2 ZINC000648072174 431809692 /nfs/dbraw/zinc/80/96/92/431809692.db2.gz QAIRRVQWWIACPV-UHFFFAOYSA-N 2 1 308.853 2.679 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCc1cccc(Cl)c1)CCO2 ZINC000648072174 431809696 /nfs/dbraw/zinc/80/96/96/431809696.db2.gz QAIRRVQWWIACPV-UHFFFAOYSA-N 2 1 308.853 2.679 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000657562066 431811419 /nfs/dbraw/zinc/81/14/19/431811419.db2.gz FUZRIJVSMYXDEU-GOSISDBHSA-N 2 1 316.493 2.508 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccn3)CC2)C1 ZINC000657562066 431811421 /nfs/dbraw/zinc/81/14/21/431811421.db2.gz FUZRIJVSMYXDEU-GOSISDBHSA-N 2 1 316.493 2.508 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@H]([C@H]3CCCC3(C)C)C2)n1 ZINC000647995262 431770301 /nfs/dbraw/zinc/77/03/01/431770301.db2.gz JSKLASRQWOLCCP-QWHCGFSZSA-N 2 1 306.454 2.912 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@@H]3C)CC2)CC1 ZINC000654377800 431770893 /nfs/dbraw/zinc/77/08/93/431770893.db2.gz XYTNEOHPYLHPOM-INIZCTEOSA-N 2 1 321.509 2.584 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1)C1CC1 ZINC000657486962 431780756 /nfs/dbraw/zinc/78/07/56/431780756.db2.gz DDDKPYXXPTZVEK-LJQANCHMSA-N 2 1 318.461 2.818 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCc2ccccc2C(C)(C)C1 ZINC000661214459 431782307 /nfs/dbraw/zinc/78/23/07/431782307.db2.gz ABURGSTZOPJWPF-KRWDZBQOSA-N 2 1 304.478 2.523 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661214459 431782315 /nfs/dbraw/zinc/78/23/15/431782315.db2.gz ABURGSTZOPJWPF-KRWDZBQOSA-N 2 1 304.478 2.523 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCc2ccccc2C(C)(C)C1 ZINC000661214459 431782322 /nfs/dbraw/zinc/78/23/22/431782322.db2.gz ABURGSTZOPJWPF-KRWDZBQOSA-N 2 1 304.478 2.523 20 0 DFADMP CCCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)c(C)c1 ZINC000657500444 431787617 /nfs/dbraw/zinc/78/76/17/431787617.db2.gz NZEFCKIEQBZKLO-UHFFFAOYSA-N 2 1 320.477 2.720 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CS1 ZINC000657598016 431821239 /nfs/dbraw/zinc/82/12/39/431821239.db2.gz WYSAXGJHFAYVSS-ZTFGCOKTSA-N 2 1 320.502 2.627 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@H]1CC1(C)C ZINC000657597275 431821360 /nfs/dbraw/zinc/82/13/60/431821360.db2.gz SADYJWQYYWLHCL-BMGDILEWSA-N 2 1 302.462 2.777 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C[C@H]3CC=CCC3)cc2)C1 ZINC000657596607 431821659 /nfs/dbraw/zinc/82/16/59/431821659.db2.gz XSKMHHGLABMOLA-QFBILLFUSA-N 2 1 300.446 2.699 20 0 DFADMP C[N@@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000648162204 431828803 /nfs/dbraw/zinc/82/88/03/431828803.db2.gz OWYJKBVBGHHBDO-GDBMZVCRSA-N 2 1 323.868 2.719 20 0 DFADMP C[N@H+]1CC[C@@H](NC(=O)CCC(C)(C)[NH3+])[C@H]1c1ccc(Cl)cc1 ZINC000648162204 431828806 /nfs/dbraw/zinc/82/88/06/431828806.db2.gz OWYJKBVBGHHBDO-GDBMZVCRSA-N 2 1 323.868 2.719 20 0 DFADMP Cc1ccc2c(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)cc(=O)oc2c1 ZINC000261987381 281045944 /nfs/dbraw/zinc/04/59/44/281045944.db2.gz BAJDACCXUXGBST-DZGCQCFKSA-N 2 1 300.402 2.518 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCC2 ZINC000305135984 282033149 /nfs/dbraw/zinc/03/31/49/282033149.db2.gz ONAUVGSBULDPDG-GJZGRUSLSA-N 2 1 323.506 2.655 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c1C ZINC000302088410 282073219 /nfs/dbraw/zinc/07/32/19/282073219.db2.gz OJOWKKMOZJQOSR-ZIAGYGMSSA-N 2 1 313.445 2.743 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)ccc1F ZINC000153620783 289052707 /nfs/dbraw/zinc/05/27/07/289052707.db2.gz MQNSYXKSQSIJTA-HNNXBMFYSA-N 2 1 323.456 2.513 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245412335 290254571 /nfs/dbraw/zinc/25/45/71/290254571.db2.gz AKDUIXMUIRCLOA-IEBWSBKVSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245412335 290254573 /nfs/dbraw/zinc/25/45/73/290254573.db2.gz AKDUIXMUIRCLOA-IEBWSBKVSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000436430615 297002670 /nfs/dbraw/zinc/00/26/70/297002670.db2.gz GYEVJXIJOBHGNE-GFCCVEGCSA-N 2 1 305.447 2.578 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000436430615 297002672 /nfs/dbraw/zinc/00/26/72/297002672.db2.gz GYEVJXIJOBHGNE-GFCCVEGCSA-N 2 1 305.447 2.578 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccc(N)c2)CC1 ZINC000436489909 297006280 /nfs/dbraw/zinc/00/62/80/297006280.db2.gz WXSRBNNJYYAHKH-UHFFFAOYSA-N 2 1 319.493 2.839 20 0 DFADMP C[N@@H+](CC[C@H]1CCOC1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000437989321 297076816 /nfs/dbraw/zinc/07/68/16/297076816.db2.gz SUYTULQKGQLOIE-KRWDZBQOSA-N 2 1 303.450 2.656 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000495347184 299920955 /nfs/dbraw/zinc/92/09/55/299920955.db2.gz JEPPDCQJIMOLCC-UHFFFAOYSA-N 2 1 324.469 2.865 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000159216750 295373822 /nfs/dbraw/zinc/37/38/22/295373822.db2.gz QUWVRIBNDUMPLT-OAHLLOKOSA-N 2 1 320.481 2.693 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(C)C1CCCCC1 ZINC000159216750 295373823 /nfs/dbraw/zinc/37/38/23/295373823.db2.gz QUWVRIBNDUMPLT-OAHLLOKOSA-N 2 1 320.481 2.693 20 0 DFADMP C[C@@H](CCCCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C)CC1 ZINC000390806203 295479180 /nfs/dbraw/zinc/47/91/80/295479180.db2.gz JGWKDQQNBVKIIO-AWEZNQCLSA-N 2 1 313.486 2.754 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]CC[C@@H]3CCOC3)CC2)oc1C ZINC000438208928 297084688 /nfs/dbraw/zinc/08/46/88/297084688.db2.gz BYYSRNJOVIHMAN-QGZVFWFLSA-N 2 1 321.465 2.520 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000438565167 297099225 /nfs/dbraw/zinc/09/92/25/297099225.db2.gz BTJJCDXAAYPDOG-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000438565167 297099226 /nfs/dbraw/zinc/09/92/26/297099226.db2.gz BTJJCDXAAYPDOG-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000438565167 297099229 /nfs/dbraw/zinc/09/92/29/297099229.db2.gz BTJJCDXAAYPDOG-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H](C(=O)NC[C@H]1CCCC[N@H+]1CC(C)C)[NH+](CC)CC ZINC000439701299 297135718 /nfs/dbraw/zinc/13/57/18/297135718.db2.gz JKOQOQRBADGZOZ-SJORKVTESA-N 2 1 311.514 2.734 20 0 DFADMP COC(=O)CC1(C[N@@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000440690314 297161857 /nfs/dbraw/zinc/16/18/57/297161857.db2.gz HSJUWXWGXYYDQG-KRWDZBQOSA-N 2 1 322.493 2.774 20 0 DFADMP COC(=O)CC1(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CC1 ZINC000440690314 297161858 /nfs/dbraw/zinc/16/18/58/297161858.db2.gz HSJUWXWGXYYDQG-KRWDZBQOSA-N 2 1 322.493 2.774 20 0 DFADMP CCc1cccc(F)c1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441351346 297180431 /nfs/dbraw/zinc/18/04/31/297180431.db2.gz CWIUOWAUYFAKOH-UHFFFAOYSA-N 2 1 307.457 2.504 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cc(F)cc(F)c1 ZINC000442879539 297208976 /nfs/dbraw/zinc/20/89/76/297208976.db2.gz WOVZECUBBDLPCJ-CYBMUJFWSA-N 2 1 311.420 2.641 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1C ZINC000442886841 297209438 /nfs/dbraw/zinc/20/94/38/297209438.db2.gz UURYXDUCVVHQRL-CMPLNLGQSA-N 2 1 304.360 2.733 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(OC(F)F)c1 ZINC000442921320 297211200 /nfs/dbraw/zinc/21/12/00/297211200.db2.gz IQEUKMGSBLXCER-LBPRGKRZSA-N 2 1 314.376 2.857 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443059918 297213734 /nfs/dbraw/zinc/21/37/34/297213734.db2.gz NYKGPKUAPYITMN-INIZCTEOSA-N 2 1 317.477 2.633 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](CC(=O)Nc2cccc3ccccc32)C1 ZINC000443062682 297214220 /nfs/dbraw/zinc/21/42/20/297214220.db2.gz UYYAUDKEJCPWAV-HNNXBMFYSA-N 2 1 311.429 2.839 20 0 DFADMP CSc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063101 297214513 /nfs/dbraw/zinc/21/45/13/297214513.db2.gz VVALHKWDBHDXMJ-UONOGXRCSA-N 2 1 321.490 2.796 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccc(C)cc3)CC2)CC1 ZINC000445512104 297262228 /nfs/dbraw/zinc/26/22/28/297262228.db2.gz HOBSOJVZJPXORD-UHFFFAOYSA-N 2 1 315.505 2.987 20 0 DFADMP C[C@H]1CC2(CCC2)C[NH+]1CC(O)C[N@@H+]1CC2(CCC2)C[C@@H]1C ZINC000447323778 297301027 /nfs/dbraw/zinc/30/10/27/297301027.db2.gz LAWNSNXMTWDDLE-HOTGVXAUSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447536293 297307354 /nfs/dbraw/zinc/30/73/54/297307354.db2.gz MFRZZNZQDSDZRE-YSTOQKLRSA-N 2 1 314.473 2.933 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000448241963 297335797 /nfs/dbraw/zinc/33/57/97/297335797.db2.gz PETLTVKEKJJKBN-ZWKOTPCHSA-N 2 1 317.477 2.847 20 0 DFADMP COc1cc(C)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000449047381 297397114 /nfs/dbraw/zinc/39/71/14/297397114.db2.gz NIWZFKRVZWDHMY-YQVWRLOYSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000449047381 297397115 /nfs/dbraw/zinc/39/71/15/297397115.db2.gz NIWZFKRVZWDHMY-YQVWRLOYSA-N 2 1 318.461 2.687 20 0 DFADMP COc1ccc(-n2cc(C[NH2+]CC(C)(C)C[NH+](C)C)cn2)cc1 ZINC000449062058 297398859 /nfs/dbraw/zinc/39/88/59/297398859.db2.gz KTLGMYHVQVPGFB-UHFFFAOYSA-N 2 1 316.449 2.558 20 0 DFADMP CN1CCC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1=O ZINC000449174936 297418064 /nfs/dbraw/zinc/41/80/64/297418064.db2.gz JADCYZRJWVLOBG-MRXNPFEDSA-N 2 1 323.525 2.876 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)NC ZINC000449776375 297532663 /nfs/dbraw/zinc/53/26/63/297532663.db2.gz ONBFAMCYEDFUBD-OAHLLOKOSA-N 2 1 311.514 2.780 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453059022 298058743 /nfs/dbraw/zinc/05/87/43/298058743.db2.gz PSJPWNFHACWTFJ-UFYCRDLUSA-N 3 1 324.472 2.916 20 0 DFADMP c1cn(CC[NH2+][C@H]2CCN(Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453059022 298058746 /nfs/dbraw/zinc/05/87/46/298058746.db2.gz PSJPWNFHACWTFJ-UFYCRDLUSA-N 3 1 324.472 2.916 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000453115271 298063112 /nfs/dbraw/zinc/06/31/12/298063112.db2.gz WYSKXPWQRZFHJM-PKOBYXMFSA-N 2 1 324.472 2.562 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000453115269 298063209 /nfs/dbraw/zinc/06/32/09/298063209.db2.gz WYSKXPWQRZFHJM-MJGOQNOKSA-N 2 1 324.472 2.562 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453217534 298072685 /nfs/dbraw/zinc/07/26/85/298072685.db2.gz LWROHUVSMFCMQZ-SJLPKXTDSA-N 2 1 310.445 2.519 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000453262554 298078304 /nfs/dbraw/zinc/07/83/04/298078304.db2.gz FYEZRDGBWIXGGJ-NWDGAFQWSA-N 2 1 300.805 2.930 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000453262554 298078309 /nfs/dbraw/zinc/07/83/09/298078309.db2.gz FYEZRDGBWIXGGJ-NWDGAFQWSA-N 2 1 300.805 2.930 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000453268239 298078796 /nfs/dbraw/zinc/07/87/96/298078796.db2.gz NTTYWVTYVNWTJK-WJFTUGDTSA-N 2 1 302.462 2.707 20 0 DFADMP C[C@H](C(=O)N1CC[C@H](C[NH+]2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253545347 298083178 /nfs/dbraw/zinc/08/31/78/298083178.db2.gz OPCJRHCYFFSIPJ-XMTFNYHQSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)O ZINC000453334797 298084218 /nfs/dbraw/zinc/08/42/18/298084218.db2.gz JVQXCXCFCAMZFR-UJCHZGTJSA-N 2 1 302.462 2.931 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@H]2CCC[C@H]21 ZINC000453335012 298084380 /nfs/dbraw/zinc/08/43/80/298084380.db2.gz FEISPFPRYZCSIK-FQBWVUSXSA-N 2 1 315.461 2.764 20 0 DFADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000453350767 298086030 /nfs/dbraw/zinc/08/60/30/298086030.db2.gz FDGIVFKIWFECLX-OUUBHVDSSA-N 2 1 314.473 2.790 20 0 DFADMP O[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000453350769 298086086 /nfs/dbraw/zinc/08/60/86/298086086.db2.gz FDGIVFKIWFECLX-UHZRXMQZSA-N 2 1 314.473 2.790 20 0 DFADMP O[C@@H](C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000453389506 298089229 /nfs/dbraw/zinc/08/92/29/298089229.db2.gz RKDZAJIEBFIQOG-YRPNKDGESA-N 2 1 314.473 2.933 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H](CO)Cc2ccc(C)c(C)c2)[C@@H](C)C1 ZINC000453411338 298091635 /nfs/dbraw/zinc/09/16/35/298091635.db2.gz AKEGPDLRVWXVPZ-UHOSZYNNSA-N 2 1 304.478 2.527 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420633 298093240 /nfs/dbraw/zinc/09/32/40/298093240.db2.gz ZREBHUVFONWHBQ-YLJYHZDGSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)[N@H+]1CCn1ccnc1 ZINC000496528360 300076058 /nfs/dbraw/zinc/07/60/58/300076058.db2.gz QCDBTRTZMNKXCK-QLFBSQMISA-N 2 1 322.453 2.601 20 0 DFADMP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@H](C)[C@H](C)N1CCn1ccnc1 ZINC000496528360 300076059 /nfs/dbraw/zinc/07/60/59/300076059.db2.gz QCDBTRTZMNKXCK-QLFBSQMISA-N 2 1 322.453 2.601 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H](COC(N)=O)Cc2ccccc2)CC1 ZINC000497090948 300159673 /nfs/dbraw/zinc/15/96/73/300159673.db2.gz QZAZOZABNAGRQG-QGZVFWFLSA-N 2 1 319.449 2.571 20 0 DFADMP CC(C)C[C@H](C[NH2+]C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000497150770 300169461 /nfs/dbraw/zinc/16/94/61/300169461.db2.gz SIRLGFHYNAIRLZ-OAHLLOKOSA-N 2 1 313.486 2.610 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ccnn2C)C[N@H+]1Cc1ccccc1 ZINC000513493592 300258053 /nfs/dbraw/zinc/25/80/53/300258053.db2.gz BNXFQEUTLLGBTN-SJLPKXTDSA-N 2 1 312.461 2.810 20 0 DFADMP CCc1ccccc1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000514864764 300276411 /nfs/dbraw/zinc/27/64/11/300276411.db2.gz BBNCLVAMCMEHOV-UHFFFAOYSA-N 2 1 302.462 2.576 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000515654472 300317054 /nfs/dbraw/zinc/31/70/54/300317054.db2.gz SUGSTEDGBWPAJG-SJORKVTESA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000516861226 300363984 /nfs/dbraw/zinc/36/39/84/300363984.db2.gz BBDMMURNQROVJE-BBRMVZONSA-N 2 1 307.413 2.665 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000519623558 300464346 /nfs/dbraw/zinc/46/43/46/300464346.db2.gz SBDSHKGFMDCHDH-UHFFFAOYSA-N 2 1 323.506 2.804 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177517 301025617 /nfs/dbraw/zinc/02/56/17/301025617.db2.gz JMBKCUHGBWOSEN-HOCLYGCPSA-N 2 1 301.434 2.586 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530179410 301026120 /nfs/dbraw/zinc/02/61/20/301026120.db2.gz XTXRPBIPNVHVAT-DYVFJYSZSA-N 2 1 304.434 2.509 20 0 DFADMP CCC(F)(F)C(C)(C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000530218299 301030474 /nfs/dbraw/zinc/03/04/74/301030474.db2.gz LMJQBNVUJMATBQ-MCIONIFRSA-N 2 1 304.425 2.805 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]CCc1c[nH+]cn1C ZINC000530407372 301046311 /nfs/dbraw/zinc/04/63/11/301046311.db2.gz CLDRFXALYRWMIP-OAHLLOKOSA-N 2 1 317.433 2.591 20 0 DFADMP C[C@H]([NH2+]CCc1c[nH+]cn1C)c1nc2ccc(Cl)cc2n1C ZINC000530460452 301049654 /nfs/dbraw/zinc/04/96/54/301049654.db2.gz VWEMBXQOWDGVJF-NSHDSACASA-N 2 1 317.824 2.854 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)O[C@H](C)C2 ZINC000530674274 301062871 /nfs/dbraw/zinc/06/28/71/301062871.db2.gz SCDNFKVNRMFFAC-XYPHTWIQSA-N 2 1 318.461 2.981 20 0 DFADMP C[C@H](CC1CC1)[NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531678188 301103539 /nfs/dbraw/zinc/10/35/39/301103539.db2.gz IEFSKXVBRAKOOL-ZBFHGGJFSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239218 301138998 /nfs/dbraw/zinc/13/89/98/301138998.db2.gz KDTJTYWPHZOBOG-HBFSDRIKSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239218 301139000 /nfs/dbraw/zinc/13/90/00/301139000.db2.gz KDTJTYWPHZOBOG-HBFSDRIKSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000532239218 301139001 /nfs/dbraw/zinc/13/90/01/301139001.db2.gz KDTJTYWPHZOBOG-HBFSDRIKSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)C1CC1 ZINC000533089852 301185563 /nfs/dbraw/zinc/18/55/63/301185563.db2.gz DVZOAXDMUDASTD-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP CCC(CC)[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000534136657 301219896 /nfs/dbraw/zinc/21/98/96/301219896.db2.gz AXTWVOJOYABIDE-CQSZACIVSA-N 2 1 318.465 2.844 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2cccc3c2OCO3)CC1 ZINC000535083227 301248429 /nfs/dbraw/zinc/24/84/29/301248429.db2.gz OJPPIIPXGISIJZ-UHFFFAOYSA-N 2 1 304.434 2.968 20 0 DFADMP CCc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)s1 ZINC000535085987 301248584 /nfs/dbraw/zinc/24/85/84/301248584.db2.gz DLLHHOPUCPIHIB-AWEZNQCLSA-N 2 1 310.507 2.835 20 0 DFADMP CC[N@H+]1CC[C@@H](Nc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000540839559 301370428 /nfs/dbraw/zinc/37/04/28/301370428.db2.gz WEIWJICMRSHRMX-MAUKXSAKSA-N 2 1 305.466 2.769 20 0 DFADMP CC[N@H+]1CC[C@H](Nc2cccc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000540839562 301370569 /nfs/dbraw/zinc/37/05/69/301370569.db2.gz WEIWJICMRSHRMX-YJBOKZPZSA-N 2 1 305.466 2.769 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)[C@@H]2CCCC2(C)C)CC1 ZINC000547473493 301533994 /nfs/dbraw/zinc/53/39/94/301533994.db2.gz CSRSJJPYRGGHGK-AWEZNQCLSA-N 2 1 316.449 2.598 20 0 DFADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000562955488 302017460 /nfs/dbraw/zinc/01/74/60/302017460.db2.gz YWEIYDIEUJCHKP-QVHKTLOISA-N 2 1 309.479 2.800 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc([C@H]3CCCO3)s2)C[C@H]1C[NH3+] ZINC000562955488 302017463 /nfs/dbraw/zinc/01/74/63/302017463.db2.gz YWEIYDIEUJCHKP-QVHKTLOISA-N 2 1 309.479 2.800 20 0 DFADMP CC(C)[C@@H](C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)Cc1ccccc1 ZINC000563003032 302024499 /nfs/dbraw/zinc/02/44/99/302024499.db2.gz MUCXASLZHBMQEC-MJGOQNOKSA-N 2 1 304.478 2.546 20 0 DFADMP CC(C)[C@@H](C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)Cc1ccccc1 ZINC000563003032 302024501 /nfs/dbraw/zinc/02/45/01/302024501.db2.gz MUCXASLZHBMQEC-MJGOQNOKSA-N 2 1 304.478 2.546 20 0 DFADMP C[C@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)n1ccnc1 ZINC000563235826 302053227 /nfs/dbraw/zinc/05/32/27/302053227.db2.gz INJDPNDMHNNODD-OAHLLOKOSA-N 2 1 306.454 2.605 20 0 DFADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)Cc1ccc2ccccc2c1 ZINC000563528790 302079891 /nfs/dbraw/zinc/07/98/91/302079891.db2.gz GOZHUDNBCLYIEU-LAUBAEHRSA-N 2 1 324.468 2.817 20 0 DFADMP c1ccc(-c2nnc([C@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)[nH]2)cc1 ZINC000563670164 302091637 /nfs/dbraw/zinc/09/16/37/302091637.db2.gz LXRUMGCBGOGBCI-GOEBONIOSA-N 2 1 311.433 2.608 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000564076638 302117420 /nfs/dbraw/zinc/11/74/20/302117420.db2.gz FFOOLYVYPDHGCK-HNNXBMFYSA-N 2 1 318.383 2.930 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2ncccc2O)C1 ZINC000564612424 302144284 /nfs/dbraw/zinc/14/42/84/302144284.db2.gz PXTJBOXVZRMXAQ-CVEARBPZSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@H](O)COc2ccccc2)C1 ZINC000564843764 302163173 /nfs/dbraw/zinc/16/31/73/302163173.db2.gz FRYWLDGOMMVLTO-ROUUACIJSA-N 2 1 320.477 2.528 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000564851702 302164806 /nfs/dbraw/zinc/16/48/06/302164806.db2.gz FJFSMKPQTRVTIF-QGZVFWFLSA-N 2 1 317.477 2.973 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CCCCc1ccc(Cl)s1)C1CC1 ZINC000564869115 302167064 /nfs/dbraw/zinc/16/70/64/302167064.db2.gz OMDKJHHOBGZQRL-CYBMUJFWSA-N 2 1 316.898 2.769 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CCCCc1ccc(Cl)s1)C1CC1 ZINC000564869115 302167067 /nfs/dbraw/zinc/16/70/67/302167067.db2.gz OMDKJHHOBGZQRL-CYBMUJFWSA-N 2 1 316.898 2.769 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Br)cn1 ZINC000565161405 302199221 /nfs/dbraw/zinc/19/92/21/302199221.db2.gz GUDJOFBYHQQVKI-NSHDSACASA-N 2 1 323.238 2.861 20 0 DFADMP CCC[C@@H](CC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565178665 302202291 /nfs/dbraw/zinc/20/22/91/302202291.db2.gz TXOAIOBAGHOKRN-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)C1 ZINC000565770482 302241226 /nfs/dbraw/zinc/24/12/26/302241226.db2.gz WDUVVRBKTVNJBZ-YOEHRIQHSA-N 2 1 310.869 2.565 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)CCCC[NH3+])C1 ZINC000566065972 302256496 /nfs/dbraw/zinc/25/64/96/302256496.db2.gz UQEFLUJVQNMQRE-MRXNPFEDSA-N 2 1 317.477 2.664 20 0 DFADMP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000566289374 302274852 /nfs/dbraw/zinc/27/48/52/302274852.db2.gz STEWYZFSSRWLLT-RYRKJORJSA-N 2 1 317.477 2.846 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351698 302281468 /nfs/dbraw/zinc/28/14/68/302281468.db2.gz YAMAHHAKOHMJNS-DNVCBOLYSA-N 2 1 301.478 2.637 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351698 302281471 /nfs/dbraw/zinc/28/14/71/302281471.db2.gz YAMAHHAKOHMJNS-DNVCBOLYSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351698 302281474 /nfs/dbraw/zinc/28/14/74/302281474.db2.gz YAMAHHAKOHMJNS-DNVCBOLYSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351698 302281475 /nfs/dbraw/zinc/28/14/75/302281475.db2.gz YAMAHHAKOHMJNS-DNVCBOLYSA-N 3 1 301.478 2.637 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C[C@H]1C ZINC000566351698 302281478 /nfs/dbraw/zinc/28/14/78/302281478.db2.gz YAMAHHAKOHMJNS-DNVCBOLYSA-N 3 1 301.478 2.637 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1 ZINC000566413432 302284908 /nfs/dbraw/zinc/28/49/08/302284908.db2.gz FMUCUQAFXWYMRR-GOSISDBHSA-N 2 1 308.441 2.883 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1cccc(F)c1)C1CCCC1 ZINC000566413432 302284910 /nfs/dbraw/zinc/28/49/10/302284910.db2.gz FMUCUQAFXWYMRR-GOSISDBHSA-N 2 1 308.441 2.883 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000566413432 302284912 /nfs/dbraw/zinc/28/49/12/302284912.db2.gz FMUCUQAFXWYMRR-GOSISDBHSA-N 2 1 308.441 2.883 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1cccc(F)c1)C1CCCC1 ZINC000566413432 302284914 /nfs/dbraw/zinc/28/49/14/302284914.db2.gz FMUCUQAFXWYMRR-GOSISDBHSA-N 2 1 308.441 2.883 20 0 DFADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1C[C@@H](O)C[NH+](C)CC ZINC000566686172 302304331 /nfs/dbraw/zinc/30/43/31/302304331.db2.gz BYTSJAYJMCEJBX-IPMKNSEASA-N 2 1 304.478 2.957 20 0 DFADMP C[N@@H+](CCC[NH2+]C[C@H](O)Cc1ccc(F)cc1)C1CCCCC1 ZINC000566720544 302306313 /nfs/dbraw/zinc/30/63/13/302306313.db2.gz NFHGBUTWBLVIKF-LJQANCHMSA-N 2 1 322.468 2.973 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)c1 ZINC000571275575 302611081 /nfs/dbraw/zinc/61/10/81/302611081.db2.gz LNDAGGSMTZBYJJ-RYUDHWBXSA-N 2 1 314.376 2.774 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CSc2ccccc2O1)c1c[nH+]ccc1N ZINC000573564770 302710638 /nfs/dbraw/zinc/71/06/38/302710638.db2.gz OZOIFERPZVDPGE-RYUDHWBXSA-N 2 1 301.415 2.698 20 0 DFADMP C[C@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000574268937 302749651 /nfs/dbraw/zinc/74/96/51/302749651.db2.gz KCTUWRYCKCERMZ-LPHOPBHVSA-N 2 1 301.478 2.760 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181545456 316062212 /nfs/dbraw/zinc/06/22/12/316062212.db2.gz KYQXKWPXBVDKPF-IBGZPJMESA-N 2 1 313.445 2.915 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCO[C@@H](Cc2ccccc2)C1 ZINC000181545456 316062216 /nfs/dbraw/zinc/06/22/16/316062216.db2.gz KYQXKWPXBVDKPF-IBGZPJMESA-N 2 1 313.445 2.915 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000181616436 316065203 /nfs/dbraw/zinc/06/52/03/316065203.db2.gz WHIHQPXGKCRYKE-YYIAUSFCSA-N 2 1 312.498 2.669 20 0 DFADMP C[C@@H](CCNC(=O)[C@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000182245363 316092078 /nfs/dbraw/zinc/09/20/78/316092078.db2.gz IHLMEHLPINYEDN-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP COc1ccc([C@@H](CCO)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000182381489 316100071 /nfs/dbraw/zinc/10/00/71/316100071.db2.gz HKXPIDZZEOQKEH-GOSISDBHSA-N 2 1 317.433 2.694 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691643 316189874 /nfs/dbraw/zinc/18/98/74/316189874.db2.gz PGWKFHQPOQYTAF-IXDOHACOSA-N 2 1 323.525 2.924 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691643 316189876 /nfs/dbraw/zinc/18/98/76/316189876.db2.gz PGWKFHQPOQYTAF-IXDOHACOSA-N 2 1 323.525 2.924 20 0 DFADMP C[C@H](NCC[NH+]1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686671 316190252 /nfs/dbraw/zinc/19/02/52/316190252.db2.gz WUECUVXKHWAMCQ-ROUUACIJSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185686671 316190257 /nfs/dbraw/zinc/19/02/57/316190257.db2.gz WUECUVXKHWAMCQ-ROUUACIJSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H]([NH2+]CCN1CCC(C)CC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185686671 316190260 /nfs/dbraw/zinc/19/02/60/316190260.db2.gz WUECUVXKHWAMCQ-ROUUACIJSA-N 2 1 307.526 2.961 20 0 DFADMP CC(C)N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1=O ZINC000185739811 316191675 /nfs/dbraw/zinc/19/16/75/316191675.db2.gz ACDIKZFXLIELPR-JZXOWHBKSA-N 2 1 321.509 2.628 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000314581863 316240725 /nfs/dbraw/zinc/24/07/25/316240725.db2.gz NZBWVMGGABXNAN-KURKYZTESA-N 2 1 305.466 2.758 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000314581863 316240726 /nfs/dbraw/zinc/24/07/26/316240726.db2.gz NZBWVMGGABXNAN-KURKYZTESA-N 2 1 305.466 2.758 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000316054134 316244326 /nfs/dbraw/zinc/24/43/26/316244326.db2.gz WVCLLABCZRMNFM-UHFFFAOYSA-N 2 1 303.450 2.557 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]12 ZINC000319392002 316251133 /nfs/dbraw/zinc/25/11/33/316251133.db2.gz DEXRNEBNUVKPNC-BPLDGKMQSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccc(F)cc4)o3)C[C@@H]12 ZINC000319392002 316251136 /nfs/dbraw/zinc/25/11/36/316251136.db2.gz DEXRNEBNUVKPNC-BPLDGKMQSA-N 2 1 301.365 2.650 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCCC[C@@H]1O ZINC000328366769 316262966 /nfs/dbraw/zinc/26/29/66/316262966.db2.gz RFYSSUYOQHNNIB-UFYCRDLUSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1CCCC[C@@H]1O ZINC000328366769 316262970 /nfs/dbraw/zinc/26/29/70/316262970.db2.gz RFYSSUYOQHNNIB-UFYCRDLUSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCCC[C@@H]1O ZINC000328366769 316262975 /nfs/dbraw/zinc/26/29/75/316262975.db2.gz RFYSSUYOQHNNIB-UFYCRDLUSA-N 2 1 316.489 2.991 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)s1 ZINC000414778463 316652303 /nfs/dbraw/zinc/65/23/03/316652303.db2.gz QDMHQDGIDZXMLB-CJNGLKHVSA-N 2 1 309.479 2.595 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000414785153 316655461 /nfs/dbraw/zinc/65/54/61/316655461.db2.gz IWVXMQJPTSURJZ-CVEARBPZSA-N 2 1 312.816 2.807 20 0 DFADMP Fc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1Br ZINC000414813100 316665709 /nfs/dbraw/zinc/66/57/09/316665709.db2.gz LWYRRNMUHVTBIV-FOSCPWQOSA-N 2 1 313.214 2.961 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC[C@H]1CCC[C@@H]([NH3+])C1)c1cccc(Cl)c1 ZINC000449649078 317048007 /nfs/dbraw/zinc/04/80/07/317048007.db2.gz ROOPCMGBYFYZNE-MAZHCROVSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450376140 317087817 /nfs/dbraw/zinc/08/78/17/317087817.db2.gz ZTGPEJOMBZMOGC-IVEQORNPSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1ccncn1 ZINC000453103440 317162888 /nfs/dbraw/zinc/16/28/88/317162888.db2.gz CHLQDLRHUUSPDZ-AEFFLSMTSA-N 2 1 310.445 2.692 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cs1 ZINC000453102771 317162998 /nfs/dbraw/zinc/16/29/98/317162998.db2.gz BHIISTCQXSUOHS-OAHLLOKOSA-N 2 1 309.523 2.981 20 0 DFADMP C[C@H]1C[N@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000487610685 317350008 /nfs/dbraw/zinc/35/00/08/317350008.db2.gz ZLCGVFYYSPYWJU-FZMZJTMJSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(Cl)c1 ZINC000487610685 317350010 /nfs/dbraw/zinc/35/00/10/317350010.db2.gz ZLCGVFYYSPYWJU-FZMZJTMJSA-N 2 1 309.841 2.538 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2C[C@@H]2C)CC1 ZINC000488420572 317391553 /nfs/dbraw/zinc/39/15/53/317391553.db2.gz WQMITKBMFNWGPN-QFBILLFUSA-N 2 1 301.478 2.570 20 0 DFADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CS1 ZINC000488454336 317394819 /nfs/dbraw/zinc/39/48/19/317394819.db2.gz YGUUZTKJKRGOEX-OAGGEKHMSA-N 2 1 314.539 2.733 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530225397 317777039 /nfs/dbraw/zinc/77/70/39/317777039.db2.gz ZGGXCYUGHSOEDQ-GZMMTYOYSA-N 2 1 319.193 2.944 20 0 DFADMP C[C@@H](CNC(=O)c1ccccc1C[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000572787438 318004005 /nfs/dbraw/zinc/00/40/05/318004005.db2.gz UHJRHLNEQCHJPS-CVEARBPZSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000573327793 318016417 /nfs/dbraw/zinc/01/64/17/318016417.db2.gz VLXWUERLHFAHQG-HOTGVXAUSA-N 2 1 309.498 2.617 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000574544397 318024031 /nfs/dbraw/zinc/02/40/31/318024031.db2.gz PSMPPKNOELRQSA-AWEZNQCLSA-N 2 1 318.490 2.969 20 0 DFADMP Cc1cnc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)s1 ZINC000574563260 318024339 /nfs/dbraw/zinc/02/43/39/318024339.db2.gz WMFMQJYCHHHKCC-WMLDXEAASA-N 2 1 315.442 2.797 20 0 DFADMP O=C(CC[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)cc1 ZINC000574637889 318029903 /nfs/dbraw/zinc/02/99/03/318029903.db2.gz KNTBYANYWGSBOT-KRWDZBQOSA-N 2 1 321.852 2.744 20 0 DFADMP COc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000574652209 318031966 /nfs/dbraw/zinc/03/19/66/318031966.db2.gz VILKREQNDYTOLW-MNOVXSKESA-N 2 1 318.339 2.953 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C3(C)C[NH2+]C3)c2C1 ZINC000575804890 318084598 /nfs/dbraw/zinc/08/45/98/318084598.db2.gz CWIVHUFRTYHANI-UHFFFAOYSA-N 2 1 301.434 2.596 20 0 DFADMP CSC[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000575862147 318087891 /nfs/dbraw/zinc/08/78/91/318087891.db2.gz UYZKUMWFYJQOPQ-RHSMWYFYSA-N 2 1 308.491 2.526 20 0 DFADMP CSC[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000575862146 318087944 /nfs/dbraw/zinc/08/79/44/318087944.db2.gz UYZKUMWFYJQOPQ-PBHICJAKSA-N 2 1 308.491 2.526 20 0 DFADMP CC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000576049640 318100670 /nfs/dbraw/zinc/10/06/70/318100670.db2.gz GOIKVUCWJBHLKM-MRXNPFEDSA-N 2 1 315.417 2.865 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000576465427 318128298 /nfs/dbraw/zinc/12/82/98/318128298.db2.gz DZTPHASIAUOXDG-OKZBNKHCSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000576465427 318128300 /nfs/dbraw/zinc/12/83/00/318128300.db2.gz DZTPHASIAUOXDG-OKZBNKHCSA-N 2 1 300.446 2.687 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC1 ZINC000576587151 318136546 /nfs/dbraw/zinc/13/65/46/318136546.db2.gz GCJFXUUFASVOSV-QGZVFWFLSA-N 2 1 317.477 2.655 20 0 DFADMP C[C@H]([NH2+]CCC(=O)Nc1cccc(Cl)c1)C1=CC[N@@H+](C)CC1 ZINC000576698241 318143846 /nfs/dbraw/zinc/14/38/46/318143846.db2.gz ZPUVHIJJUAGLBU-ZDUSSCGKSA-N 2 1 321.852 2.909 20 0 DFADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000576726021 318146430 /nfs/dbraw/zinc/14/64/30/318146430.db2.gz ZQAOBCHFFPNTOU-ZBFHGGJFSA-N 2 1 303.450 2.698 20 0 DFADMP C[C@@H]1C[C@@H](CCNC(=O)CCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000577511109 318198443 /nfs/dbraw/zinc/19/84/43/318198443.db2.gz ZRSUEZKRNNAVET-SJLPKXTDSA-N 2 1 317.477 2.532 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@H]2CCC[C@@H]21 ZINC000577530547 318200215 /nfs/dbraw/zinc/20/02/15/318200215.db2.gz KCGHGYAVLQRCMF-YVSFHVDLSA-N 2 1 304.409 2.592 20 0 DFADMP C[C@H](NCc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000577720294 318212276 /nfs/dbraw/zinc/21/22/76/318212276.db2.gz IILVYRXUWDAHSE-QFBILLFUSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577848840 318221345 /nfs/dbraw/zinc/22/13/45/318221345.db2.gz ITUHUPKVAYHYKG-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577848840 318221347 /nfs/dbraw/zinc/22/13/47/318221347.db2.gz ITUHUPKVAYHYKG-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000578451130 318262171 /nfs/dbraw/zinc/26/21/71/318262171.db2.gz WLDDIQDRXCWNNW-NMLBUPMWSA-N 2 1 316.489 2.957 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000578451130 318262172 /nfs/dbraw/zinc/26/21/72/318262172.db2.gz WLDDIQDRXCWNNW-NMLBUPMWSA-N 2 1 316.489 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000578451130 318262173 /nfs/dbraw/zinc/26/21/73/318262173.db2.gz WLDDIQDRXCWNNW-NMLBUPMWSA-N 2 1 316.489 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCCC[C@@H]21 ZINC000578451130 318262175 /nfs/dbraw/zinc/26/21/75/318262175.db2.gz WLDDIQDRXCWNNW-NMLBUPMWSA-N 2 1 316.489 2.957 20 0 DFADMP Cn1ncc2ccc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc21 ZINC000579064988 318304083 /nfs/dbraw/zinc/30/40/83/318304083.db2.gz ZVBZXHUJKXAXEJ-UHFFFAOYSA-N 2 1 300.450 2.926 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000579142923 318310913 /nfs/dbraw/zinc/31/09/13/318310913.db2.gz LUIOCILEXSEKJA-QAPCUYQASA-N 2 1 312.461 2.729 20 0 DFADMP Cc1ncc(C[NH2+][C@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000579142923 318310914 /nfs/dbraw/zinc/31/09/14/318310914.db2.gz LUIOCILEXSEKJA-QAPCUYQASA-N 2 1 312.461 2.729 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000579192902 318312729 /nfs/dbraw/zinc/31/27/29/318312729.db2.gz CZTDPRCQRYTOGE-PKOBYXMFSA-N 2 1 320.477 2.925 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000579192902 318312731 /nfs/dbraw/zinc/31/27/31/318312731.db2.gz CZTDPRCQRYTOGE-PKOBYXMFSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000579192902 318312732 /nfs/dbraw/zinc/31/27/32/318312732.db2.gz CZTDPRCQRYTOGE-PKOBYXMFSA-N 2 1 320.477 2.925 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccc(OC)cc1 ZINC000579192902 318312734 /nfs/dbraw/zinc/31/27/34/318312734.db2.gz CZTDPRCQRYTOGE-PKOBYXMFSA-N 2 1 320.477 2.925 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)[C@H](C)[C@H]2C)c2ccccn21 ZINC000579483313 318334306 /nfs/dbraw/zinc/33/43/06/318334306.db2.gz LTIQFKSLRULEDO-HUUCEWRRSA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)[C@H](C)[C@H]2C)c2ccccn21 ZINC000579483313 318334307 /nfs/dbraw/zinc/33/43/07/318334307.db2.gz LTIQFKSLRULEDO-HUUCEWRRSA-N 2 1 300.450 2.982 20 0 DFADMP CCOc1ccccc1OCCN1[C@@H]2CC[C@H]1CC[N@H+](C)C2 ZINC000579854801 318359171 /nfs/dbraw/zinc/35/91/71/318359171.db2.gz LYAHHEWXLIOISI-JKSUJKDBSA-N 2 1 304.434 2.633 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c(C)c1 ZINC000579928544 318363857 /nfs/dbraw/zinc/36/38/57/318363857.db2.gz LCWJRCBLUVYINN-JKSUJKDBSA-N 2 1 303.450 2.752 20 0 DFADMP Cc1c[nH+]ccc1NCc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000192757893 323247696 /nfs/dbraw/zinc/24/76/96/323247696.db2.gz FDSWLRWRBIRYBE-GOSISDBHSA-N 2 1 311.429 2.959 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000194876488 323274414 /nfs/dbraw/zinc/27/44/14/323274414.db2.gz XIHZKRQTZQUJRA-GOSISDBHSA-N 2 1 310.482 2.774 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379632368 323290173 /nfs/dbraw/zinc/29/01/73/323290173.db2.gz SKWDZEMGDLOFSK-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000379632368 323290178 /nfs/dbraw/zinc/29/01/78/323290178.db2.gz SKWDZEMGDLOFSK-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379659144 323290876 /nfs/dbraw/zinc/29/08/76/323290876.db2.gz YTLXWASCLIADFM-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379659144 323290878 /nfs/dbraw/zinc/29/08/78/323290878.db2.gz YTLXWASCLIADFM-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379634085 323290962 /nfs/dbraw/zinc/29/09/62/323290962.db2.gz PILJVLLAVHGBLR-HJZRJOMTSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000379634085 323290964 /nfs/dbraw/zinc/29/09/64/323290964.db2.gz PILJVLLAVHGBLR-HJZRJOMTSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753642 323295919 /nfs/dbraw/zinc/29/59/19/323295919.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NC[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381753642 323295922 /nfs/dbraw/zinc/29/59/22/323295922.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H](NC[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381753642 323295927 /nfs/dbraw/zinc/29/59/27/323295927.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753642 323295931 /nfs/dbraw/zinc/29/59/31/323295931.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753642 323295935 /nfs/dbraw/zinc/29/59/35/323295935.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381753642 323295940 /nfs/dbraw/zinc/29/59/40/323295940.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[NH+](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381753642 323295942 /nfs/dbraw/zinc/29/59/42/323295942.db2.gz CMKBTOMMRCJRCF-SXLOBPIMSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000382728063 323301352 /nfs/dbraw/zinc/30/13/52/323301352.db2.gz WQYOTDMUHUXGLI-HBFSDRIKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CCC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000382712579 323301544 /nfs/dbraw/zinc/30/15/44/323301544.db2.gz WCERTMBLAXTLNU-RTBURBONSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000383052263 323303239 /nfs/dbraw/zinc/30/32/39/323303239.db2.gz UNVSYVDAKWYUJG-IUODEOHRSA-N 2 1 311.267 2.921 20 0 DFADMP C[C@H](CN)[N@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000382973072 323303334 /nfs/dbraw/zinc/30/33/34/323303334.db2.gz GQNVIYIPXZNABD-SECBINFHSA-N 2 1 304.221 2.601 20 0 DFADMP C[C@H](CN)[N@@H+](C)CCC(=O)Nc1cc(Cl)ccc1Cl ZINC000382973072 323303337 /nfs/dbraw/zinc/30/33/37/323303337.db2.gz GQNVIYIPXZNABD-SECBINFHSA-N 2 1 304.221 2.601 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000384057698 323305676 /nfs/dbraw/zinc/30/56/76/323305676.db2.gz ZFICPRCJNGMAKC-QRQLOZEOSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](COCc3ccccc3)C2)CC[NH2+]1 ZINC000384057694 323305696 /nfs/dbraw/zinc/30/56/96/323305696.db2.gz ZFICPRCJNGMAKC-NEWSRXKRSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)C1CC([NH3+])C1 ZINC000384897132 323309335 /nfs/dbraw/zinc/30/93/35/323309335.db2.gz VNYVGDNEEUKIKD-UHFFFAOYSA-N 2 1 316.232 2.744 20 0 DFADMP CC(C)(CO)CC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000385962558 323314679 /nfs/dbraw/zinc/31/46/79/323314679.db2.gz ZBVBQMABXFOLNT-UHFFFAOYSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000386573009 323319864 /nfs/dbraw/zinc/31/98/64/323319864.db2.gz MHHPGCXAJBCADQ-WDSOQIARSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000388333506 323330232 /nfs/dbraw/zinc/33/02/32/323330232.db2.gz KTJZJFMMHZFNNB-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)CC2(C[NH3+])CCCCC2)CC1 ZINC000391353803 323345699 /nfs/dbraw/zinc/34/56/99/323345699.db2.gz XQRQIZPDLGUIQO-UHFFFAOYSA-N 2 1 323.525 2.865 20 0 DFADMP C[N@H+](CC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCC1 ZINC000396315710 323352721 /nfs/dbraw/zinc/35/27/21/323352721.db2.gz CNQRHRIUOMGWCN-UHFFFAOYSA-N 2 1 308.388 2.686 20 0 DFADMP C[N@@H+](CC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CCCC1 ZINC000396315710 323352724 /nfs/dbraw/zinc/35/27/24/323352724.db2.gz CNQRHRIUOMGWCN-UHFFFAOYSA-N 2 1 308.388 2.686 20 0 DFADMP C[C@]1(CN[C@@H]2CCC[C@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000398024898 323356632 /nfs/dbraw/zinc/35/66/32/323356632.db2.gz XRBPPDIDYCPPES-IPMKNSEASA-N 2 1 301.478 2.901 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CCC[C@H]([NH3+])C2)CCCN1Cc1ccccc1 ZINC000398024898 323356633 /nfs/dbraw/zinc/35/66/33/323356633.db2.gz XRBPPDIDYCPPES-IPMKNSEASA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583078915 323791927 /nfs/dbraw/zinc/79/19/27/323791927.db2.gz ZNPRJJMZTRDBLI-RNIPGJKVSA-N 3 1 319.468 2.626 20 0 DFADMP CC[C@@H](CCO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584469632 337344976 /nfs/dbraw/zinc/34/49/76/337344976.db2.gz ORKZRUXGOGDLNS-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@@H](CCO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584469632 337344977 /nfs/dbraw/zinc/34/49/77/337344977.db2.gz ORKZRUXGOGDLNS-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP c1cc2c(cc1C[N@H+]1CC[C@H](C[NH+]3CCCCC3)C1)C[NH2+]CC2 ZINC000584634179 337377601 /nfs/dbraw/zinc/37/76/01/337377601.db2.gz BMPWWNHWUHDDQP-GOSISDBHSA-N 3 1 313.489 2.640 20 0 DFADMP c1cc2c(cc1C[N@@H+]1CC[C@H](C[NH+]3CCCCC3)C1)C[NH2+]CC2 ZINC000584634179 337377602 /nfs/dbraw/zinc/37/76/02/337377602.db2.gz BMPWWNHWUHDDQP-GOSISDBHSA-N 3 1 313.489 2.640 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)no1 ZINC000279600905 518187841 /nfs/dbraw/zinc/18/78/41/518187841.db2.gz PHUWZPMZIDBSPO-ZDUSSCGKSA-N 2 1 315.421 2.709 20 0 DFADMP CC(C)n1ncnc1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365032051 520129496 /nfs/dbraw/zinc/12/94/96/520129496.db2.gz DVAYUXMJDCMVSH-OAHLLOKOSA-N 2 1 317.481 2.555 20 0 DFADMP Cc1ccc2[nH+]ccc(N3CC[N@@H+](CC(C)(C)O)[C@@H](C)C3)c2c1 ZINC000302511845 534521117 /nfs/dbraw/zinc/52/11/17/534521117.db2.gz SWLJLSNJVNGPEN-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266500928 521564173 /nfs/dbraw/zinc/56/41/73/521564173.db2.gz AEBFVBWIMIBIIX-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000266500928 521564177 /nfs/dbraw/zinc/56/41/77/521564177.db2.gz AEBFVBWIMIBIIX-KRWDZBQOSA-N 2 1 318.461 2.882 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cnn(C(C)C)c2)CC1 ZINC000154534736 521679667 /nfs/dbraw/zinc/67/96/67/521679667.db2.gz XPYLZVRPXJXHAC-QGZVFWFLSA-N 2 1 321.513 2.532 20 0 DFADMP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154372913 522287362 /nfs/dbraw/zinc/28/73/62/522287362.db2.gz WNHCRCQKCABGMI-ZIAGYGMSSA-N 2 1 316.898 2.723 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCCc1nc(-c2cccs2)no1 ZINC000315694858 534648557 /nfs/dbraw/zinc/64/85/57/534648557.db2.gz XHMVCXBGAITCEV-ZDUSSCGKSA-N 2 1 320.462 2.934 20 0 DFADMP C[N@H+](CCOc1ccccc1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366010843 522920543 /nfs/dbraw/zinc/92/05/43/522920543.db2.gz STRGYWCXQJBTKQ-CQSZACIVSA-N 2 1 303.381 2.595 20 0 DFADMP C[N@@H+](CCOc1ccccc1F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366010843 522920553 /nfs/dbraw/zinc/92/05/53/522920553.db2.gz STRGYWCXQJBTKQ-CQSZACIVSA-N 2 1 303.381 2.595 20 0 DFADMP C[N@H+](CCc1ccc(F)c(F)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365999433 522941485 /nfs/dbraw/zinc/94/14/85/522941485.db2.gz HYWLVWXTSFRTFN-AWEZNQCLSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1ccc(F)c(F)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365999433 522941491 /nfs/dbraw/zinc/94/14/91/522941491.db2.gz HYWLVWXTSFRTFN-AWEZNQCLSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000366352794 523820862 /nfs/dbraw/zinc/82/08/62/523820862.db2.gz GAILRDMKFTUKFN-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2N(C)C1 ZINC000364852651 524913087 /nfs/dbraw/zinc/91/30/87/524913087.db2.gz ICRFNZGTFWRSIX-CBZIJGRNSA-N 2 1 301.478 2.613 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)CC[NH+](C(C)C)C(C)C ZINC000357580411 534913753 /nfs/dbraw/zinc/91/37/53/534913753.db2.gz REQINWUOVSJJQV-UHFFFAOYSA-N 2 1 322.497 2.974 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC000358165718 536481892 /nfs/dbraw/zinc/48/18/92/536481892.db2.gz OEAWHXGOZHZFFX-QYZOEREBSA-N 2 1 302.462 2.759 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCCC[C@@H](c3ccccc3)C2)C1 ZINC000358165718 536481894 /nfs/dbraw/zinc/48/18/94/536481894.db2.gz OEAWHXGOZHZFFX-QYZOEREBSA-N 2 1 302.462 2.759 20 0 DFADMP [NH3+]C1(C(=O)N[C@@H]2CCC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000366350069 527127203 /nfs/dbraw/zinc/12/72/03/527127203.db2.gz YYHPAJDUVYVBIJ-OAHLLOKOSA-N 2 1 307.482 2.561 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000294986240 527883150 /nfs/dbraw/zinc/88/31/50/527883150.db2.gz HAUTXYJZAQAFQL-YPMHNXCESA-N 2 1 301.356 2.920 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@H](C)C1 ZINC000294986240 527883156 /nfs/dbraw/zinc/88/31/56/527883156.db2.gz HAUTXYJZAQAFQL-YPMHNXCESA-N 2 1 301.356 2.920 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297459969 528360455 /nfs/dbraw/zinc/36/04/55/528360455.db2.gz QAUDNNXNULIKNL-INIZCTEOSA-N 3 1 304.482 2.760 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297459969 528360460 /nfs/dbraw/zinc/36/04/60/528360460.db2.gz QAUDNNXNULIKNL-INIZCTEOSA-N 3 1 304.482 2.760 20 0 DFADMP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302152363 529150774 /nfs/dbraw/zinc/15/07/74/529150774.db2.gz LATFDUGJRSAJOJ-INIZCTEOSA-N 2 1 312.461 2.981 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000236807401 535044038 /nfs/dbraw/zinc/04/40/38/535044038.db2.gz CSXGMJGKRKFJOK-DZKIICNBSA-N 2 1 323.506 2.765 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261895597 535153693 /nfs/dbraw/zinc/15/36/93/535153693.db2.gz HAYASGWQWCNVLH-KURKYZTESA-N 2 1 320.452 2.850 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H]([NH3+])c2ccccc2)CC1 ZINC000236709716 535212985 /nfs/dbraw/zinc/21/29/85/535212985.db2.gz LIFZJHXUVVXXIY-GOSISDBHSA-N 2 1 317.477 2.657 20 0 DFADMP CC(C)[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361350978 535242400 /nfs/dbraw/zinc/24/24/00/535242400.db2.gz JGHRRBYGLZZQQA-ZWKOTPCHSA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N2CCC(C)CC2)CC1 ZINC000191776912 535509635 /nfs/dbraw/zinc/50/96/35/535509635.db2.gz QYSDDFZGJIEUTG-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NCCC[N@@H+](C)C(C)C)c1ccccc1 ZINC000355562954 535665316 /nfs/dbraw/zinc/66/53/16/535665316.db2.gz GMFOTVSYANEUGQ-SFHVURJKSA-N 2 1 319.493 2.916 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+](CC)C1CC1)c1ccccc1 ZINC000355641594 535665566 /nfs/dbraw/zinc/66/55/66/535665566.db2.gz HTIWBNSMQXUFIW-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000261925098 535709633 /nfs/dbraw/zinc/70/96/33/535709633.db2.gz IMCWYQONTLQLIV-OAHLLOKOSA-N 2 1 304.434 2.849 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3SC)C2)CC1 ZINC000358064235 535737324 /nfs/dbraw/zinc/73/73/24/535737324.db2.gz LGJNTAGRKPWGJC-QGZVFWFLSA-N 2 1 319.518 2.620 20 0 DFADMP CC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(OC)c(OC)c1 ZINC000369445531 535809219 /nfs/dbraw/zinc/80/92/19/535809219.db2.gz WQOQBFPUDCOWPL-LSDHHAIUSA-N 2 1 315.417 2.956 20 0 DFADMP CC[C@@H]1C[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CCO1 ZINC000354509579 535894736 /nfs/dbraw/zinc/89/47/36/535894736.db2.gz YCWAAGYZGDZUKX-BSLJZLGVSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@@H]1C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCO1 ZINC000354509579 535894738 /nfs/dbraw/zinc/89/47/38/535894738.db2.gz YCWAAGYZGDZUKX-BSLJZLGVSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@@H]1C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000354509579 535894745 /nfs/dbraw/zinc/89/47/45/535894745.db2.gz YCWAAGYZGDZUKX-BSLJZLGVSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)[C@@H]1CCOC1 ZINC000361216287 535897564 /nfs/dbraw/zinc/89/75/64/535897564.db2.gz LSNOLRDNBNRQER-AEFFLSMTSA-N 2 1 324.509 2.815 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)[C@H]1C ZINC000354490073 536319022 /nfs/dbraw/zinc/31/90/22/536319022.db2.gz BWWQSSYGLZUZSI-OWLYRPNTSA-N 2 1 322.493 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]1C ZINC000354490073 536319026 /nfs/dbraw/zinc/31/90/26/536319026.db2.gz BWWQSSYGLZUZSI-OWLYRPNTSA-N 2 1 322.493 2.818 20 0 DFADMP C[NH2+][C@H](C)Cc1noc([C@H]2CCC[N@@H+](Cc3ccccc3)C2)n1 ZINC000261773199 536405911 /nfs/dbraw/zinc/40/59/11/536405911.db2.gz NINLKSZHESULEN-ZBFHGGJFSA-N 2 1 314.433 2.600 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000261915436 536566720 /nfs/dbraw/zinc/56/67/20/536566720.db2.gz GVQCQKJTHKTGIQ-XYPWUTKMSA-N 2 1 304.434 2.727 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)cc1 ZINC000361640420 536704119 /nfs/dbraw/zinc/70/41/19/536704119.db2.gz UPZXAUNFZVHVJF-UHFFFAOYSA-N 2 1 304.434 2.685 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000680932721 545565696 /nfs/dbraw/zinc/56/56/96/545565696.db2.gz NIRBWZZNPOTOJM-DYVFJYSZSA-N 2 1 314.433 2.515 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000680932721 545565699 /nfs/dbraw/zinc/56/56/99/545565699.db2.gz NIRBWZZNPOTOJM-DYVFJYSZSA-N 2 1 314.433 2.515 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)[C@H](C)c1ccccc1 ZINC000680988627 545576491 /nfs/dbraw/zinc/57/64/91/545576491.db2.gz AQVMPXBLLFZZAF-QAPCUYQASA-N 2 1 301.434 2.726 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)[C@@H](C)c1ccccc1 ZINC000680988625 545576953 /nfs/dbraw/zinc/57/69/53/545576953.db2.gz AQVMPXBLLFZZAF-MAUKXSAKSA-N 2 1 301.434 2.726 20 0 DFADMP COC[C@H]1CCCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681084717 545593799 /nfs/dbraw/zinc/59/37/99/545593799.db2.gz ZYIMINQXGJOIKV-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000681304968 545626256 /nfs/dbraw/zinc/62/62/56/545626256.db2.gz VNXGKEIKHWLKQF-XHSDSOJGSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681927660 545753923 /nfs/dbraw/zinc/75/39/23/545753923.db2.gz LRQCVNNMTUEYGD-ZACQAIPSSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681927660 545753930 /nfs/dbraw/zinc/75/39/30/545753930.db2.gz LRQCVNNMTUEYGD-ZACQAIPSSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCc3ccccc32)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000682071149 545787329 /nfs/dbraw/zinc/78/73/29/545787329.db2.gz HEOBNMSMPMITJO-UXPWSPDFSA-N 2 1 313.489 2.632 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000683008499 545959156 /nfs/dbraw/zinc/95/91/56/545959156.db2.gz YICAUHYIMFBIBX-WMZOPIPTSA-N 2 1 324.428 2.782 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCc3ccccc3NC2=O)C1 ZINC000683008499 545959159 /nfs/dbraw/zinc/95/91/59/545959159.db2.gz YICAUHYIMFBIBX-WMZOPIPTSA-N 2 1 324.428 2.782 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000683473536 546039311 /nfs/dbraw/zinc/03/93/11/546039311.db2.gz ZWFXDIRAAJMPIK-AWEZNQCLSA-N 2 1 322.412 2.792 20 0 DFADMP Clc1ccc2ncc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000683472307 546039612 /nfs/dbraw/zinc/03/96/12/546039612.db2.gz GZOXFTKBZGTHLX-GFCCVEGCSA-N 2 1 315.808 2.536 20 0 DFADMP FC(F)(F)c1cccnc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000683471337 546039684 /nfs/dbraw/zinc/03/96/84/546039684.db2.gz RLDKGOCKDRNUAA-LLVKDONJSA-N 2 1 310.323 2.649 20 0 DFADMP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000683848382 546108068 /nfs/dbraw/zinc/10/80/68/546108068.db2.gz OWLVIJZNBBLWQB-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000684366082 546201773 /nfs/dbraw/zinc/20/17/73/546201773.db2.gz IKDCGPKKSGGIKR-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)CC2 ZINC000684929047 546303793 /nfs/dbraw/zinc/30/37/93/546303793.db2.gz LZLRQLGNINVXHW-WCXIOVBPSA-N 2 1 303.450 2.630 20 0 DFADMP CN(CCC[NH+]1CCCC1)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000684987553 546314021 /nfs/dbraw/zinc/31/40/21/546314021.db2.gz YAVRDJDSIDINDW-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@@H+](C/C=C\c1ccccc1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457728 546353692 /nfs/dbraw/zinc/35/36/92/546353692.db2.gz KYKXHVBKDPMLRD-NSDNCLLMSA-N 2 1 313.489 2.800 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C2CCC(CO)CC2)cc1 ZINC000685468312 546357174 /nfs/dbraw/zinc/35/71/74/546357174.db2.gz KMIKMHQOBPPNKL-UHFFFAOYSA-N 2 1 320.477 2.610 20 0 DFADMP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685466409 546357199 /nfs/dbraw/zinc/35/71/99/546357199.db2.gz WULZGQAXLRNETD-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685466409 546357201 /nfs/dbraw/zinc/35/72/01/546357201.db2.gz WULZGQAXLRNETD-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685465676 546357276 /nfs/dbraw/zinc/35/72/76/546357276.db2.gz ZXBYJXDVIBSWQN-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685465676 546357281 /nfs/dbraw/zinc/35/72/81/546357281.db2.gz ZXBYJXDVIBSWQN-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)NCC[C@H]2CCC[N@@H+](C)C2)c1 ZINC000459266357 299070149 /nfs/dbraw/zinc/07/01/49/299070149.db2.gz POIWDOKIDCPWNM-OAHLLOKOSA-N 2 1 318.465 2.602 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435639 214151849 /nfs/dbraw/zinc/15/18/49/214151849.db2.gz HDUXAQDXUXJLMV-HOTGVXAUSA-N 2 1 318.461 2.773 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000162591028 197577211 /nfs/dbraw/zinc/57/72/11/197577211.db2.gz PHTNSFFRNWZHMB-KRWDZBQOSA-N 2 1 300.446 2.769 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1ccc(N2CCOC2=O)cc1 ZINC000181296606 199278098 /nfs/dbraw/zinc/27/80/98/199278098.db2.gz FVJIYMIMZZVPIQ-HOCLYGCPSA-N 2 1 317.433 2.778 20 0 DFADMP CCn1cncc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309715854 231100808 /nfs/dbraw/zinc/10/08/08/231100808.db2.gz LTJFXSRHGUETFO-FUHWJXTLSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cncc1C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309715854 231100812 /nfs/dbraw/zinc/10/08/12/231100812.db2.gz LTJFXSRHGUETFO-FUHWJXTLSA-N 2 1 312.461 2.903 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000309696087 231100905 /nfs/dbraw/zinc/10/09/05/231100905.db2.gz DZORIRUKZMBUEA-SJLPKXTDSA-N 2 1 312.461 2.983 20 0 DFADMP OC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)CCCC1 ZINC000309997281 231108801 /nfs/dbraw/zinc/10/88/01/231108801.db2.gz CEZQZBHNRAUVJS-RTBURBONSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)CCCC1 ZINC000309997281 231108803 /nfs/dbraw/zinc/10/88/03/231108803.db2.gz CEZQZBHNRAUVJS-RTBURBONSA-N 2 1 314.473 2.745 20 0 DFADMP OC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)CCCC1 ZINC000309997281 231108806 /nfs/dbraw/zinc/10/88/06/231108806.db2.gz CEZQZBHNRAUVJS-RTBURBONSA-N 2 1 314.473 2.745 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905708 398348437 /nfs/dbraw/zinc/34/84/37/398348437.db2.gz GXUUTXHFZXLTKB-RDJZCZTQSA-N 2 1 320.481 2.862 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905708 398348439 /nfs/dbraw/zinc/34/84/39/398348439.db2.gz GXUUTXHFZXLTKB-RDJZCZTQSA-N 2 1 320.481 2.862 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905708 398348441 /nfs/dbraw/zinc/34/84/41/398348441.db2.gz GXUUTXHFZXLTKB-RDJZCZTQSA-N 2 1 320.481 2.862 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000081534425 398357419 /nfs/dbraw/zinc/35/74/19/398357419.db2.gz XMNGROZXPYVHHX-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000591907374 398350938 /nfs/dbraw/zinc/35/09/38/398350938.db2.gz ZWQOSYHLQZHCSS-KRWDZBQOSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)C2CCCCC2)C1 ZINC000591907374 398350941 /nfs/dbraw/zinc/35/09/41/398350941.db2.gz ZWQOSYHLQZHCSS-KRWDZBQOSA-N 2 1 318.465 2.620 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[N@@H+](CCO)[C@H](C)C1 ZINC000302344026 529491487 /nfs/dbraw/zinc/49/14/87/529491487.db2.gz APBWHQSILLEFIE-CQSZACIVSA-N 2 1 313.445 2.608 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000066044021 398355266 /nfs/dbraw/zinc/35/52/66/398355266.db2.gz WKBLKUAUIKABKR-UHFFFAOYSA-N 2 1 311.429 2.819 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000066044021 398355269 /nfs/dbraw/zinc/35/52/69/398355269.db2.gz WKBLKUAUIKABKR-UHFFFAOYSA-N 2 1 311.429 2.819 20 0 DFADMP Cc1ccc([C@@H](CNC(=[NH2+])NC2CCCC2)[NH+]2CCCC2)o1 ZINC000066246498 398364150 /nfs/dbraw/zinc/36/41/50/398364150.db2.gz CROVFJCJHHWORS-OAHLLOKOSA-N 2 1 304.438 2.781 20 0 DFADMP CCOc1cc(CNC[C@@H]2CCC[N@@H+]2C)ccc1OC(F)F ZINC000236945141 398365293 /nfs/dbraw/zinc/36/52/93/398365293.db2.gz UPLAESHHSOYHQJ-ZDUSSCGKSA-N 2 1 314.376 2.871 20 0 DFADMP COc1cccc([C@H](C[NH2+]C2CC[NH+](C(C)C)CC2)N(C)C)c1 ZINC000237328090 398369424 /nfs/dbraw/zinc/36/94/24/398369424.db2.gz OKGNWKCVEUYASD-IBGZPJMESA-N 2 1 319.493 2.760 20 0 DFADMP CC(C)C1CCC([NH+]2CCN(CCc3c[nH+]cn3C)CC2)CC1 ZINC000459348106 299084877 /nfs/dbraw/zinc/08/48/77/299084877.db2.gz RVYVLMNXMKSNFO-UHFFFAOYSA-N 2 1 318.509 2.795 20 0 DFADMP Cc1[nH+]ccn1CCCCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000237623689 398373076 /nfs/dbraw/zinc/37/30/76/398373076.db2.gz NVVYFRRETNTGLB-KRWDZBQOSA-N 2 1 314.433 2.568 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)[C@@H]1OCCc2sccc21 ZINC000292420503 282206228 /nfs/dbraw/zinc/20/62/28/282206228.db2.gz MSMRDQMMQFZJJJ-LRDDRELGSA-N 2 1 305.447 2.935 20 0 DFADMP Cc1nn(C)c2ncc(C[NH2+]C3CC[NH+](C(C)(C)C)CC3)cc12 ZINC000237844561 398375147 /nfs/dbraw/zinc/37/51/47/398375147.db2.gz OMAPOIBQPPZGLR-UHFFFAOYSA-N 2 1 315.465 2.629 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)[C@H]1SC ZINC000459359530 299087738 /nfs/dbraw/zinc/08/77/38/299087738.db2.gz CEKLXXRRXASWOE-ZJIFWQFVSA-N 2 1 300.512 2.605 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](Cc2ccccc2)CC1)[C@@H](O)C(F)F ZINC000294933571 529682013 /nfs/dbraw/zinc/68/20/13/529682013.db2.gz BSKFNSSBNQIJPP-HZPDHXFCSA-N 2 1 312.404 2.645 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2cncn2C)CC1 ZINC000459377580 299091184 /nfs/dbraw/zinc/09/11/84/299091184.db2.gz YHJQKVWHCVVEDQ-KRWDZBQOSA-N 2 1 318.509 2.939 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)Cc3ccco3)CC2)nc(C)[nH+]1 ZINC000092645045 185330911 /nfs/dbraw/zinc/33/09/11/185330911.db2.gz AIKKAHCGJPKXEV-UHFFFAOYSA-N 2 1 300.406 2.787 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)Cc3ccco3)CC2)nc(C)[nH+]1 ZINC000092645045 185330912 /nfs/dbraw/zinc/33/09/12/185330912.db2.gz AIKKAHCGJPKXEV-UHFFFAOYSA-N 2 1 300.406 2.787 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+]Cc1cnc(C3CC3)nc1)C2 ZINC000459394361 299095049 /nfs/dbraw/zinc/09/50/49/299095049.db2.gz SULCYGIUMRNQGB-UHFFFAOYSA-N 2 1 322.456 2.892 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@@H+](C)CCc2cncn2C)cc1 ZINC000459397524 299095832 /nfs/dbraw/zinc/09/58/32/299095832.db2.gz WSWBAFBXBJOMLN-OAHLLOKOSA-N 2 1 301.434 2.782 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(Cl)c(F)c1 ZINC000181410797 199293066 /nfs/dbraw/zinc/29/30/66/199293066.db2.gz NYALASQWNGOTCA-UHFFFAOYSA-N 2 1 313.848 2.548 20 0 DFADMP CC(C)[C@@H]1CN([C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000459410165 299099080 /nfs/dbraw/zinc/09/90/80/299099080.db2.gz BZBFFHGIFUYAMR-OALUTQOASA-N 2 1 301.478 2.533 20 0 DFADMP CC(C)[C@@H]1CN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000459410165 299099083 /nfs/dbraw/zinc/09/90/83/299099083.db2.gz BZBFFHGIFUYAMR-OALUTQOASA-N 2 1 301.478 2.533 20 0 DFADMP CC(C)[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000459410165 299099084 /nfs/dbraw/zinc/09/90/84/299099084.db2.gz BZBFFHGIFUYAMR-OALUTQOASA-N 2 1 301.478 2.533 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C/C=C\c3ccc(F)cc3)C2)CC1 ZINC000255012166 398423652 /nfs/dbraw/zinc/42/36/52/398423652.db2.gz VQTYDYHIPHQIDY-ZRHASKPBSA-N 2 1 317.452 2.551 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000067222746 398423918 /nfs/dbraw/zinc/42/39/18/398423918.db2.gz FZSDJUCRVBVXAB-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000067222746 398423919 /nfs/dbraw/zinc/42/39/19/398423919.db2.gz FZSDJUCRVBVXAB-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000067507165 398438085 /nfs/dbraw/zinc/43/80/85/398438085.db2.gz FHNBRYFADKQBRE-MRXNPFEDSA-N 2 1 310.445 2.964 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000067507165 398438088 /nfs/dbraw/zinc/43/80/88/398438088.db2.gz FHNBRYFADKQBRE-MRXNPFEDSA-N 2 1 310.445 2.964 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262647576 398433668 /nfs/dbraw/zinc/43/36/68/398433668.db2.gz ABTUZYPDTQAROK-FBVQUNGASA-N 2 1 321.509 2.678 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000592491669 398433933 /nfs/dbraw/zinc/43/39/33/398433933.db2.gz FWBTZAAVPAJDQA-SJORKVTESA-N 2 1 310.482 2.822 20 0 DFADMP CC[NH+]1C[C@H](C)N(CC[N@@H+](C)Cc2ccc(F)cc2)[C@@H](C)C1 ZINC000459454256 299110156 /nfs/dbraw/zinc/11/01/56/299110156.db2.gz FBMYHLWLSLUXCM-HOTGVXAUSA-N 2 1 307.457 2.672 20 0 DFADMP Cn1c[nH+]cc1CCN1CC[C@@](F)(c2cc(F)cc(F)c2)C1 ZINC000459461397 299111829 /nfs/dbraw/zinc/11/18/29/299111829.db2.gz UAUZZYVBBUCEAN-INIZCTEOSA-N 2 1 309.335 2.812 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277344919 398455098 /nfs/dbraw/zinc/45/50/98/398455098.db2.gz WGCFTUNCLLLZKZ-HNNXBMFYSA-N 2 1 321.421 2.780 20 0 DFADMP C[C@@H](CC1CCOCC1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000089594469 398458357 /nfs/dbraw/zinc/45/83/57/398458357.db2.gz RJDWYAWMNCQWSJ-KRWDZBQOSA-N 2 1 324.509 2.816 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCCC(=O)OC(C)(C)C)[C@H]2CCC[C@H]21 ZINC000586791445 398460398 /nfs/dbraw/zinc/46/03/98/398460398.db2.gz CNPBVBYWEWYDPS-OWCLPIDISA-N 2 1 310.482 2.961 20 0 DFADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC23CC(C2)C[NH2+]3)c2ccccc21 ZINC000596655712 398473051 /nfs/dbraw/zinc/47/30/51/398473051.db2.gz XNJXEKBVJOYBJC-UVSGXRLASA-N 2 1 314.429 2.510 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459498423 299121686 /nfs/dbraw/zinc/12/16/86/299121686.db2.gz LEDPUEIFIICCRN-QGZVFWFLSA-N 3 1 316.493 2.905 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(-n2ccnn2)cc1 ZINC000090879258 398494666 /nfs/dbraw/zinc/49/46/66/398494666.db2.gz TVEHACTXJUJLBT-YXJHDRRASA-N 2 1 311.433 2.545 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459524429 299125161 /nfs/dbraw/zinc/12/51/61/299125161.db2.gz KFGBGSVTLNRSPI-KRWDZBQOSA-N 2 1 322.456 2.966 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+]Cc3cnc(C4CC4)nc3)C2)cc1 ZINC000459524429 299125164 /nfs/dbraw/zinc/12/51/64/299125164.db2.gz KFGBGSVTLNRSPI-KRWDZBQOSA-N 2 1 322.456 2.966 20 0 DFADMP C[C@H](CCO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272705139 210108969 /nfs/dbraw/zinc/10/89/69/210108969.db2.gz UAYMNQAZOVREFG-NXWXRZEISA-N 2 1 302.462 2.648 20 0 DFADMP Cc1cc[nH+]c(N2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000091478694 398532360 /nfs/dbraw/zinc/53/23/60/398532360.db2.gz LZGXOBFJCNRJNV-IYBDPMFKSA-N 2 1 303.450 2.716 20 0 DFADMP Cc1cc[nH+]c(N2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)c1 ZINC000091478694 398532363 /nfs/dbraw/zinc/53/23/63/398532363.db2.gz LZGXOBFJCNRJNV-IYBDPMFKSA-N 2 1 303.450 2.716 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000589177072 398532672 /nfs/dbraw/zinc/53/26/72/398532672.db2.gz HLAYGYOYHIYZOI-AWEZNQCLSA-N 2 1 309.454 2.582 20 0 DFADMP C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000272620902 210020927 /nfs/dbraw/zinc/02/09/27/210020927.db2.gz YGCPONLMJIQDKU-BHNDVYRESA-N 2 1 300.446 2.664 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000320271773 398546314 /nfs/dbraw/zinc/54/63/14/398546314.db2.gz UFJZIWOKKGWGSI-DOTOQJQBSA-N 2 1 320.477 2.955 20 0 DFADMP Cc1cccc(CCC[NH+]2CCC([N@@H+](C)CCCO)CC2)c1 ZINC000272607879 210005907 /nfs/dbraw/zinc/00/59/07/210005907.db2.gz WJQLPEGLVGPLTF-UHFFFAOYSA-N 2 1 304.478 2.706 20 0 DFADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000069160434 398554284 /nfs/dbraw/zinc/55/42/84/398554284.db2.gz NWNNIPNMLJAVRR-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000069160434 398554288 /nfs/dbraw/zinc/55/42/88/398554288.db2.gz NWNNIPNMLJAVRR-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCCn2cc[nH+]c2C)cc1Cl ZINC000597047049 398554447 /nfs/dbraw/zinc/55/44/47/398554447.db2.gz NHBNMXRKWKXFKH-UHFFFAOYSA-N 2 1 321.808 2.811 20 0 DFADMP COC(=O)c1ccc(CN(C)C[C@@H]2CC[N@@H+](C)C2)cc1Cl ZINC000597097745 398566639 /nfs/dbraw/zinc/56/66/39/398566639.db2.gz RFCMSRORGQEWCZ-CYBMUJFWSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)cc1Cl ZINC000597097745 398566642 /nfs/dbraw/zinc/56/66/42/398566642.db2.gz RFCMSRORGQEWCZ-CYBMUJFWSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)cc1Cl ZINC000597097745 398566645 /nfs/dbraw/zinc/56/66/45/398566645.db2.gz RFCMSRORGQEWCZ-CYBMUJFWSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000597097745 398566648 /nfs/dbraw/zinc/56/66/48/398566648.db2.gz RFCMSRORGQEWCZ-CYBMUJFWSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)cc1Cl ZINC000597097745 398566652 /nfs/dbraw/zinc/56/66/52/398566652.db2.gz RFCMSRORGQEWCZ-CYBMUJFWSA-N 2 1 310.825 2.510 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1Cl ZINC000597132761 398572941 /nfs/dbraw/zinc/57/29/41/398572941.db2.gz LPBORATXCLVJQA-MLGOLLRUSA-N 2 1 324.852 2.899 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)C[C@H]2C)cc1Cl ZINC000597132761 398572944 /nfs/dbraw/zinc/57/29/44/398572944.db2.gz LPBORATXCLVJQA-MLGOLLRUSA-N 2 1 324.852 2.899 20 0 DFADMP CC(C)NC(=O)[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000414341725 295789581 /nfs/dbraw/zinc/78/95/81/295789581.db2.gz LMXLQVPUMPDEDT-HLLBOEOZSA-N 2 1 309.498 2.532 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cnc3n2CCC3)C[C@H]1C(=O)OC(C)(C)C ZINC000597154003 398576598 /nfs/dbraw/zinc/57/65/98/398576598.db2.gz KQFGUPYFZNKINO-UKRRQHHQSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@@H]1CCN(Cc2cnc3n2CCC3)C[C@H]1C(=O)OC(C)(C)C ZINC000597154003 398576600 /nfs/dbraw/zinc/57/66/00/398576600.db2.gz KQFGUPYFZNKINO-UKRRQHHQSA-N 2 1 319.449 2.629 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cn(C)cn2)cc1 ZINC000459659463 299158182 /nfs/dbraw/zinc/15/81/82/299158182.db2.gz KCEXEOYXOPBHPH-AWEZNQCLSA-N 2 1 309.417 2.808 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC3=CCCOC3)CC2)cc1 ZINC000287049852 219286128 /nfs/dbraw/zinc/28/61/28/219286128.db2.gz MVGOEJYFJOTWOL-UHFFFAOYSA-N 2 1 318.436 2.769 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)c2nncn2C)c1 ZINC000287050476 219287787 /nfs/dbraw/zinc/28/77/87/219287787.db2.gz ACTKDXMQQYSZHC-AWEZNQCLSA-N 2 1 301.438 2.508 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@@H](C)C[NH+]1CCCC1)O[C@H](C)C2 ZINC000069752029 398582644 /nfs/dbraw/zinc/58/26/44/398582644.db2.gz DRFWTLBGIWWTIV-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H](C)C[NH+]1CCCC1)O[C@H](C)C2 ZINC000069752032 398582980 /nfs/dbraw/zinc/58/29/80/398582980.db2.gz DRFWTLBGIWWTIV-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cccc2c1OCCCO2 ZINC000069754456 398583256 /nfs/dbraw/zinc/58/32/56/398583256.db2.gz XIJKNCLSZHAOMP-UHFFFAOYSA-N 2 1 301.390 2.533 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000279949489 215263185 /nfs/dbraw/zinc/26/31/85/215263185.db2.gz OJZLOZPIZVLKKO-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000279949489 215263187 /nfs/dbraw/zinc/26/31/87/215263187.db2.gz OJZLOZPIZVLKKO-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP C[C@@H](C1CC1)[N@@H+](C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590125137 398598207 /nfs/dbraw/zinc/59/82/07/398598207.db2.gz IXSTYAKSLXRIER-KXBFYZLASA-N 2 1 302.462 2.742 20 0 DFADMP Cc1ccc(-c2noc(C[NH+]3CCC(C[NH+](C)C)CC3)n2)cc1 ZINC000590125910 398598504 /nfs/dbraw/zinc/59/85/04/398598504.db2.gz SOOLFVGLJYMORR-UHFFFAOYSA-N 2 1 314.433 2.819 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(C(=O)OC)cc1 ZINC000590248832 398607970 /nfs/dbraw/zinc/60/79/70/398607970.db2.gz LPALWFCTJZAIKR-HZPDHXFCSA-N 2 1 313.401 2.725 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCCC[N@H+]2CCCC[C@H]2C)n1 ZINC000092886268 398604036 /nfs/dbraw/zinc/60/40/36/398604036.db2.gz BFUZZDTYYWBLFF-CQSZACIVSA-N 2 1 314.437 2.647 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000092886268 398604038 /nfs/dbraw/zinc/60/40/38/398604038.db2.gz BFUZZDTYYWBLFF-CQSZACIVSA-N 2 1 314.437 2.647 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]1SC ZINC000597257792 398609380 /nfs/dbraw/zinc/60/93/80/398609380.db2.gz WIEGFJVCRHDQRD-NXOAAHMSSA-N 2 1 312.523 2.607 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150758708 186064799 /nfs/dbraw/zinc/06/47/99/186064799.db2.gz MATGARCZOOQDGV-QGZVFWFLSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c1 ZINC000150758708 186064801 /nfs/dbraw/zinc/06/48/01/186064801.db2.gz MATGARCZOOQDGV-QGZVFWFLSA-N 2 1 301.434 2.563 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000152513726 186080622 /nfs/dbraw/zinc/08/06/22/186080622.db2.gz VWRLJOJIPBGAMI-ZIFCJYIRSA-N 2 1 301.478 2.833 20 0 DFADMP C[N@H+](CCc1nc(-c2ccccc2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152490588 186078897 /nfs/dbraw/zinc/07/88/97/186078897.db2.gz PFELWPBZEUOYRI-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP C[N@@H+](CCc1nc(-c2ccccc2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152490588 186078899 /nfs/dbraw/zinc/07/88/99/186078899.db2.gz PFELWPBZEUOYRI-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@H]1CCC[N@H+](C)C1 ZINC000152490588 186078901 /nfs/dbraw/zinc/07/89/01/186078901.db2.gz PFELWPBZEUOYRI-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP C[NH+](CCc1nc(-c2ccccc2)no1)C[C@H]1CCC[N@@H+](C)C1 ZINC000152490588 186078902 /nfs/dbraw/zinc/07/89/02/186078902.db2.gz PFELWPBZEUOYRI-HNNXBMFYSA-N 2 1 314.433 2.553 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000072815115 398639013 /nfs/dbraw/zinc/63/90/13/398639013.db2.gz DEXRLRIZFORMBX-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000072815115 398639015 /nfs/dbraw/zinc/63/90/15/398639015.db2.gz DEXRLRIZFORMBX-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP c1ccc2c(c1)C=C(C[N@@H+]1C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C1)CO2 ZINC000093537126 398640695 /nfs/dbraw/zinc/64/06/95/398640695.db2.gz OGAYEABNTQUEBN-GUDVDZBRSA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[N@H+]1C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C1)CO2 ZINC000093537126 398640697 /nfs/dbraw/zinc/64/06/97/398640697.db2.gz OGAYEABNTQUEBN-GUDVDZBRSA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[NH+]1C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C1)CO2 ZINC000093537126 398640698 /nfs/dbraw/zinc/64/06/98/398640698.db2.gz OGAYEABNTQUEBN-GUDVDZBRSA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[NH+]1C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C1)CO2 ZINC000093537126 398640701 /nfs/dbraw/zinc/64/07/01/398640701.db2.gz OGAYEABNTQUEBN-GUDVDZBRSA-N 2 1 310.441 2.879 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH2+][C@@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000179725350 186210863 /nfs/dbraw/zinc/21/08/63/186210863.db2.gz ZGHJGTSVOKWNAU-QFBILLFUSA-N 2 1 316.445 2.983 20 0 DFADMP C[C@H](CCNC(=O)C1([NH3+])CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000237455358 186292270 /nfs/dbraw/zinc/29/22/70/186292270.db2.gz IEVZNNMTTDDRSP-MRXNPFEDSA-N 2 1 317.477 2.675 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000459724933 299172814 /nfs/dbraw/zinc/17/28/14/299172814.db2.gz FIMSUOROXOLOAQ-SFHVURJKSA-N 2 1 312.461 2.753 20 0 DFADMP COCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268755763 186380467 /nfs/dbraw/zinc/38/04/67/186380467.db2.gz XLIZYHGEADBTTN-HKUYNNGSSA-N 2 1 320.477 2.682 20 0 DFADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268755763 186380468 /nfs/dbraw/zinc/38/04/68/186380468.db2.gz XLIZYHGEADBTTN-HKUYNNGSSA-N 2 1 320.477 2.682 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758660 186381832 /nfs/dbraw/zinc/38/18/32/186381832.db2.gz GBTWHCWLMLXMPD-NUJGCVRESA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758660 186381835 /nfs/dbraw/zinc/38/18/35/186381835.db2.gz GBTWHCWLMLXMPD-NUJGCVRESA-N 2 1 316.493 2.890 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CC[C@H]2CCC[N@H+](C)C2)o1 ZINC000459729271 299174787 /nfs/dbraw/zinc/17/47/87/299174787.db2.gz IWOWOCDXTVNMNA-CQSZACIVSA-N 2 1 302.422 2.800 20 0 DFADMP Brc1csc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000414817188 295821574 /nfs/dbraw/zinc/82/15/74/295821574.db2.gz RQFYAOFJBOBPTG-ZACCUICWSA-N 2 1 301.253 2.883 20 0 DFADMP Brc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)s1 ZINC000414817243 295821639 /nfs/dbraw/zinc/82/16/39/295821639.db2.gz RTTYLJKLRNQDJH-ULKQDVFKSA-N 2 1 301.253 2.883 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000459734874 299176893 /nfs/dbraw/zinc/17/68/93/299176893.db2.gz OSTPDSOJVIMWLK-CYBMUJFWSA-N 2 1 324.852 2.933 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C[NH3+])C2CCCCC2)C[C@@H]1C ZINC000414838388 295824436 /nfs/dbraw/zinc/82/44/36/295824436.db2.gz KPVSGQLBZBOYSA-LLLHUVSDSA-N 2 1 310.482 2.852 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414833289 295823936 /nfs/dbraw/zinc/82/39/36/295823936.db2.gz RPRHUKBUUYDNNS-AWEZNQCLSA-N 2 1 318.852 2.923 20 0 DFADMP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000593593639 398659265 /nfs/dbraw/zinc/65/92/65/398659265.db2.gz DYRQYOHJRYWDJO-HUUCEWRRSA-N 2 1 321.465 2.936 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1c(C)nn(-c2ccc(Cl)cc2)c1C ZINC000414856495 295826687 /nfs/dbraw/zinc/82/66/87/295826687.db2.gz ANGKDAXBXABFAV-UHFFFAOYSA-N 2 1 306.841 2.842 20 0 DFADMP CN(C[C@@H]1CCC[N@@H+](C)C1)C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172047219 198030382 /nfs/dbraw/zinc/03/03/82/198030382.db2.gz HJLNSHYUFDRZMP-MRXNPFEDSA-N 2 1 318.465 2.554 20 0 DFADMP COCCOc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000459747021 299180390 /nfs/dbraw/zinc/18/03/90/299180390.db2.gz ZNMABMAWEPLFTO-QGZVFWFLSA-N 2 1 306.450 2.533 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000277210148 213370022 /nfs/dbraw/zinc/37/00/22/213370022.db2.gz NDTYAPKKYLEKNK-INIZCTEOSA-N 2 1 307.413 2.570 20 0 DFADMP Cc1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000386762558 398664423 /nfs/dbraw/zinc/66/44/23/398664423.db2.gz FSLUZMGPNTUGHP-HOTGVXAUSA-N 2 1 303.406 2.867 20 0 DFADMP Cc1c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000386762558 398664424 /nfs/dbraw/zinc/66/44/24/398664424.db2.gz FSLUZMGPNTUGHP-HOTGVXAUSA-N 2 1 303.406 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2CCN(c3ccccc3)CC2)CC[N@H+]1C ZINC000280113129 215385506 /nfs/dbraw/zinc/38/55/06/215385506.db2.gz NSOPOFVARHSZHO-AEFFLSMTSA-N 2 1 301.478 2.975 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(SC)cc1OC ZINC000414934108 295837240 /nfs/dbraw/zinc/83/72/40/295837240.db2.gz AFKZIROYGIGTHC-AAEUAGOBSA-N 2 1 310.463 2.513 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000414950694 295839521 /nfs/dbraw/zinc/83/95/21/295839521.db2.gz GIDKLYSQPOATOH-WCQYABFASA-N 2 1 302.340 2.715 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000459771030 299187970 /nfs/dbraw/zinc/18/79/70/299187970.db2.gz IBBBVHYYCGECRP-CQSZACIVSA-N 2 1 321.431 2.725 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2C[C@H](C)C[C@H](C)C2)CC1 ZINC000590786998 398673860 /nfs/dbraw/zinc/67/38/60/398673860.db2.gz QCHMZFZLTIUVKV-CALCHBBNSA-N 2 1 323.525 2.543 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(Cl)cc1-n1cncn1 ZINC000280128580 215395609 /nfs/dbraw/zinc/39/56/09/215395609.db2.gz CXSOSVQGELFUQX-UHFFFAOYSA-N 2 1 321.856 2.742 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC2(C)C)c(SC)cc1OC ZINC000414977277 295843498 /nfs/dbraw/zinc/84/34/98/295843498.db2.gz RDAOTYUWJHSXJW-MRXNPFEDSA-N 2 1 324.490 2.903 20 0 DFADMP CC[C@H]([NH3+])C[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414980542 295843688 /nfs/dbraw/zinc/84/36/88/295843688.db2.gz PPOILMAHDZYINK-VIFPVBQESA-N 2 1 323.181 2.877 20 0 DFADMP CCn1cc(C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)cn1 ZINC000414993086 295845072 /nfs/dbraw/zinc/84/50/72/295845072.db2.gz CDOBHHHIWUFLCM-FUHWJXTLSA-N 2 1 316.424 2.525 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@H](C)C1 ZINC000173364138 198207679 /nfs/dbraw/zinc/20/76/79/198207679.db2.gz PKXHOLKDMFCHDO-PBHICJAKSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)[C@H](C)C1 ZINC000173364138 198207680 /nfs/dbraw/zinc/20/76/80/198207680.db2.gz PKXHOLKDMFCHDO-PBHICJAKSA-N 2 1 316.424 2.831 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000173391667 198209765 /nfs/dbraw/zinc/20/97/65/198209765.db2.gz WROWULJARBLIPU-AWEZNQCLSA-N 2 1 311.420 2.643 20 0 DFADMP c1cc(C[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000173593234 198231178 /nfs/dbraw/zinc/23/11/78/198231178.db2.gz UTAGCACOHWHZMY-KRWDZBQOSA-N 2 1 300.446 2.929 20 0 DFADMP c1cc(C[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000173593234 198231179 /nfs/dbraw/zinc/23/11/79/198231179.db2.gz UTAGCACOHWHZMY-KRWDZBQOSA-N 2 1 300.446 2.929 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459808042 299198083 /nfs/dbraw/zinc/19/80/83/299198083.db2.gz OGZSGDZCFWUYSZ-AWEZNQCLSA-N 2 1 309.454 2.881 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@H](C)C(=O)OC(C)(C)C ZINC000459808042 299198088 /nfs/dbraw/zinc/19/80/88/299198088.db2.gz OGZSGDZCFWUYSZ-AWEZNQCLSA-N 2 1 309.454 2.881 20 0 DFADMP Cc1cc(C)c(C[NH2+]CCCN2CCC[N@H+](C)CC2)cc1C ZINC000105477049 398693483 /nfs/dbraw/zinc/69/34/83/398693483.db2.gz NCVOFCDTOUXRTH-UHFFFAOYSA-N 2 1 303.494 2.729 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1 ZINC000415115666 295859904 /nfs/dbraw/zinc/85/99/04/295859904.db2.gz YSHPVFQKWICYIK-NJYVYQBISA-N 2 1 324.468 2.981 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000174727379 198376723 /nfs/dbraw/zinc/37/67/23/198376723.db2.gz ILMIAUSGJAMUGG-GOSISDBHSA-N 2 1 307.457 2.846 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000073949098 398712002 /nfs/dbraw/zinc/71/20/02/398712002.db2.gz IYBNJZPFWQFLPG-HZPDHXFCSA-N 2 1 320.481 2.585 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000073949098 398712005 /nfs/dbraw/zinc/71/20/05/398712005.db2.gz IYBNJZPFWQFLPG-HZPDHXFCSA-N 2 1 320.481 2.585 20 0 DFADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000371588065 283000522 /nfs/dbraw/zinc/00/05/22/283000522.db2.gz JKOGLADKKVRMBZ-HIFRSBDPSA-N 2 1 301.365 2.841 20 0 DFADMP CCC([NH3+])(CC)CNC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236788595 202009263 /nfs/dbraw/zinc/00/92/63/202009263.db2.gz FOKDMNWQGSZJKG-QGZVFWFLSA-N 2 1 317.477 2.532 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1c(C)nn(C)c1C ZINC000277027624 213247743 /nfs/dbraw/zinc/24/77/43/213247743.db2.gz AWERTCIYPKQWIH-UHFFFAOYSA-N 2 1 303.454 2.708 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1c(C)nn(C)c1C ZINC000277027624 213247746 /nfs/dbraw/zinc/24/77/46/213247746.db2.gz AWERTCIYPKQWIH-UHFFFAOYSA-N 2 1 303.454 2.708 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000129739792 283026877 /nfs/dbraw/zinc/02/68/77/283026877.db2.gz AUSHVGANJJFQNA-LSDHHAIUSA-N 2 1 321.431 2.725 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000597975382 398730892 /nfs/dbraw/zinc/73/08/92/398730892.db2.gz WCMMSBNEVVRMTQ-ROUUACIJSA-N 2 1 324.428 2.634 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@H]2CCN(c3ccccc3)C2=O)C1 ZINC000597975382 398730893 /nfs/dbraw/zinc/73/08/93/398730893.db2.gz WCMMSBNEVVRMTQ-ROUUACIJSA-N 2 1 324.428 2.634 20 0 DFADMP CN(CC[N@H+]1CC[C@H](CNc2ccccn2)C1)c1ccccc1 ZINC000131300659 283079436 /nfs/dbraw/zinc/07/94/36/283079436.db2.gz DLCLDAHNCCNEKP-QGZVFWFLSA-N 2 1 310.445 2.952 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](Oc3ccncc3)C2)s1 ZINC000131807066 283100313 /nfs/dbraw/zinc/10/03/13/283100313.db2.gz FVKYWKXORXDBTG-ZDUSSCGKSA-N 2 1 318.398 2.583 20 0 DFADMP CCC[N@H+](CC(=O)Nc1ccccc1C)CC1CC[NH2+]CC1 ZINC000236971958 283106116 /nfs/dbraw/zinc/10/61/16/283106116.db2.gz RDQBTGMWVBBPNJ-UHFFFAOYSA-N 2 1 303.450 2.645 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000081516938 192276359 /nfs/dbraw/zinc/27/63/59/192276359.db2.gz KPCBXAYBSQFFLT-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000081516938 192276361 /nfs/dbraw/zinc/27/63/61/192276361.db2.gz KPCBXAYBSQFFLT-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000081516938 192276365 /nfs/dbraw/zinc/27/63/65/192276365.db2.gz KPCBXAYBSQFFLT-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C)C1 ZINC000081516906 192277486 /nfs/dbraw/zinc/27/74/86/192277486.db2.gz DTLHFYQDWBSFOP-KRWDZBQOSA-N 2 1 317.477 2.987 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000081516906 192277489 /nfs/dbraw/zinc/27/74/89/192277489.db2.gz DTLHFYQDWBSFOP-KRWDZBQOSA-N 2 1 317.477 2.987 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000081516906 192277493 /nfs/dbraw/zinc/27/74/93/192277493.db2.gz DTLHFYQDWBSFOP-KRWDZBQOSA-N 2 1 317.477 2.987 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H](C)c2ccccc2)CC1 ZINC000236875924 202048245 /nfs/dbraw/zinc/04/82/45/202048245.db2.gz KEOQLXIXJXUSKX-GOSISDBHSA-N 2 1 303.494 2.797 20 0 DFADMP CC[NH+]1CCC(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000236922052 202073886 /nfs/dbraw/zinc/07/38/86/202073886.db2.gz GAOSFLIMCHNJRL-LJQANCHMSA-N 2 1 301.478 2.725 20 0 DFADMP CC[NH+]1CCC(N[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000236922052 202073888 /nfs/dbraw/zinc/07/38/88/202073888.db2.gz GAOSFLIMCHNJRL-LJQANCHMSA-N 2 1 301.478 2.725 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C(CC)(CC)C[NH3+])C1 ZINC000237037222 202131509 /nfs/dbraw/zinc/13/15/09/202131509.db2.gz HZZKPVQLCDOFSX-HNNXBMFYSA-N 2 1 311.514 2.768 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000591835637 398793989 /nfs/dbraw/zinc/79/39/89/398793989.db2.gz YEEKFTZACFUCNS-RBSFLKMASA-N 2 1 306.479 2.546 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cccc(F)c1 ZINC000446819442 297287389 /nfs/dbraw/zinc/28/73/89/297287389.db2.gz XWCVLUVDIOQIFX-QZTJIDSGSA-N 2 1 308.441 2.959 20 0 DFADMP C[NH2+]CCCC(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000178690741 198912049 /nfs/dbraw/zinc/91/20/49/198912049.db2.gz VGFVCXQJBFHANZ-INIZCTEOSA-N 2 1 317.477 2.534 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000591893766 398804343 /nfs/dbraw/zinc/80/43/43/398804343.db2.gz VNHNRTAPJWSDES-QSJFSLAZSA-N 2 1 318.465 2.616 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000591893766 398804345 /nfs/dbraw/zinc/80/43/45/398804345.db2.gz VNHNRTAPJWSDES-QSJFSLAZSA-N 2 1 318.465 2.616 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H](C)C1 ZINC000151322621 283281352 /nfs/dbraw/zinc/28/13/52/283281352.db2.gz SWAPUSNEEBBGRG-APWZRJJASA-N 2 1 312.461 2.751 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C)CC1)CCC2 ZINC000594489526 398808285 /nfs/dbraw/zinc/80/82/85/398808285.db2.gz BCEBPOZVNKYGNF-KRWDZBQOSA-N 2 1 302.418 2.534 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)CCC2 ZINC000594495898 398809577 /nfs/dbraw/zinc/80/95/77/398809577.db2.gz FEDMNVCEPMNQLW-FDQGKXFDSA-N 2 1 316.445 2.923 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)CCC2 ZINC000594495898 398809578 /nfs/dbraw/zinc/80/95/78/398809578.db2.gz FEDMNVCEPMNQLW-FDQGKXFDSA-N 2 1 316.445 2.923 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCO1 ZINC000179391213 199026958 /nfs/dbraw/zinc/02/69/58/199026958.db2.gz KRIMSAXNFQKPOV-SFHVURJKSA-N 2 1 303.450 2.799 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)C(=O)OC(C)(C)C ZINC000594510520 398812520 /nfs/dbraw/zinc/81/25/20/398812520.db2.gz AFNFLQNAHQSKRZ-XHSDSOJGSA-N 2 1 310.482 2.817 20 0 DFADMP C[NH+](C/C=C/C[N@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000126006125 398810834 /nfs/dbraw/zinc/81/08/34/398810834.db2.gz MUANJHOPPBUWCP-ZBKUBXTQSA-N 2 1 310.482 2.544 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C(=O)OC(C)(C)C)C(C)C)[C@H](C)C1 ZINC000594520569 398815485 /nfs/dbraw/zinc/81/54/85/398815485.db2.gz JLUILCWAVPANFE-OAGGEKHMSA-N 2 1 312.498 2.920 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C(C)C)[C@@H](C)C1 ZINC000594520568 398815640 /nfs/dbraw/zinc/81/56/40/398815640.db2.gz JLUILCWAVPANFE-JYJNAYRXSA-N 2 1 312.498 2.920 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000179512773 199048634 /nfs/dbraw/zinc/04/86/34/199048634.db2.gz IHCPVTUGHGWYPW-BZUAXINKSA-N 2 1 306.450 2.782 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@@H]1C ZINC000354327354 291122173 /nfs/dbraw/zinc/12/21/73/291122173.db2.gz GUTGRZGKNMFCRG-NCOADZHNSA-N 2 1 310.482 2.674 20 0 DFADMP CC1CC[NH+](CCN2CC[NH+](Cc3cccs3)CC2)CC1 ZINC000152483774 283325648 /nfs/dbraw/zinc/32/56/48/283325648.db2.gz XZEOVUPAVBSAHZ-UHFFFAOYSA-N 2 1 307.507 2.598 20 0 DFADMP CC(C)(C[NH2+]Cc1cccc2c1OCCO2)C[NH+]1CCCC1 ZINC000276696566 213051878 /nfs/dbraw/zinc/05/18/78/213051878.db2.gz MIRGZBCJMIANEE-UHFFFAOYSA-N 2 1 304.434 2.669 20 0 DFADMP CCC[C@@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180139136 199122036 /nfs/dbraw/zinc/12/20/36/199122036.db2.gz NDHVIYILBLJWHH-XVLXNVKGSA-N 2 1 302.462 2.933 20 0 DFADMP COCC[C@@H](C)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162871 199124838 /nfs/dbraw/zinc/12/48/38/199124838.db2.gz TWIBGGAABZRWFV-BVBHFADKSA-N 2 1 302.462 2.912 20 0 DFADMP CCC[C@]1(C)CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000076145534 398843617 /nfs/dbraw/zinc/84/36/17/398843617.db2.gz FWRVVKOEJYUOEH-LJQANCHMSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]([NH3+])C(=O)NCc1ccc(C[N@@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000130320714 398844130 /nfs/dbraw/zinc/84/41/30/398844130.db2.gz RRKSAPWGIXHVFE-RVKKMQEKSA-N 2 1 317.477 2.518 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000594917027 398870582 /nfs/dbraw/zinc/87/05/82/398870582.db2.gz FXVOWDWNZDFFLR-ZTFGCOKTSA-N 2 1 318.461 2.814 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)C1 ZINC000594922332 398872627 /nfs/dbraw/zinc/87/26/27/398872627.db2.gz FDUSPIYRDRIXFS-KLHDSHLOSA-N 2 1 310.482 2.674 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)[C@H]2C[C@H]2C(=O)OC)C1 ZINC000594922332 398872628 /nfs/dbraw/zinc/87/26/28/398872628.db2.gz FDUSPIYRDRIXFS-KLHDSHLOSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000180671450 199193884 /nfs/dbraw/zinc/19/38/84/199193884.db2.gz UALDWIWHOXTTCO-OIISXLGYSA-N 2 1 304.434 2.753 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccccc1 ZINC000180671450 199193886 /nfs/dbraw/zinc/19/38/86/199193886.db2.gz UALDWIWHOXTTCO-OIISXLGYSA-N 2 1 304.434 2.753 20 0 DFADMP C[C@@H](CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C)C1CC[NH2+]CC1 ZINC000237422378 202260552 /nfs/dbraw/zinc/26/05/52/202260552.db2.gz GXDQLOSBYPEODN-IRXDYDNUSA-N 2 1 323.525 2.783 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)cc1)C(C)C ZINC000153681825 283373979 /nfs/dbraw/zinc/37/39/79/283373979.db2.gz FWZHYCZCEZWQAJ-HZPDHXFCSA-N 2 1 317.477 2.739 20 0 DFADMP CC(C)(C)OC(=O)C1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000594993073 398887990 /nfs/dbraw/zinc/88/79/90/398887990.db2.gz ADMVDZYHAVZFCB-GJZGRUSLSA-N 2 1 308.466 2.715 20 0 DFADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000598964306 398898495 /nfs/dbraw/zinc/89/84/95/398898495.db2.gz FEROVTRHIUVMHI-ODCFSMADSA-N 2 1 300.512 2.529 20 0 DFADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000598964306 398898496 /nfs/dbraw/zinc/89/84/96/398898496.db2.gz FEROVTRHIUVMHI-ODCFSMADSA-N 2 1 300.512 2.529 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCCc3ccccc3)C2)CC1 ZINC000187002443 200046284 /nfs/dbraw/zinc/04/62/84/200046284.db2.gz UPZJJRLMWDHNDL-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc3c(c2)CCC(=O)N3C)CC1 ZINC000187102238 200062057 /nfs/dbraw/zinc/06/20/57/200062057.db2.gz ZQQKJODCSNPTOM-UHFFFAOYSA-N 2 1 315.461 2.558 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[N@@H+]1C ZINC000187119998 200064770 /nfs/dbraw/zinc/06/47/70/200064770.db2.gz IDZORUFPMBDUKJ-KFNAQCHYSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[N@H+]1C ZINC000187119998 200064772 /nfs/dbraw/zinc/06/47/72/200064772.db2.gz IDZORUFPMBDUKJ-KFNAQCHYSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[NH+]1C ZINC000187119998 200064773 /nfs/dbraw/zinc/06/47/73/200064773.db2.gz IDZORUFPMBDUKJ-KFNAQCHYSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)c2ccc(F)cc2Cl)CC[NH+]1C ZINC000187119998 200064775 /nfs/dbraw/zinc/06/47/75/200064775.db2.gz IDZORUFPMBDUKJ-KFNAQCHYSA-N 2 1 314.832 2.927 20 0 DFADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1c1cccs1 ZINC000417306917 296008637 /nfs/dbraw/zinc/00/86/37/296008637.db2.gz GRHFSXGCDIGGFU-QLFBSQMISA-N 2 1 308.491 2.941 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCOC[C@@H]2CCCO2)CC1 ZINC000152323046 398930512 /nfs/dbraw/zinc/93/05/12/398930512.db2.gz SOLOIYVWPBARLE-SFHVURJKSA-N 2 1 312.498 2.626 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000417391924 296016273 /nfs/dbraw/zinc/01/62/73/296016273.db2.gz AZADCZJJKDAKDO-CENDIDJXSA-N 2 1 314.473 2.790 20 0 DFADMP Cn1cncc1C[N@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000471866456 299311104 /nfs/dbraw/zinc/31/11/04/299311104.db2.gz UIJUPZRUFXXBRT-IEBWSBKVSA-N 2 1 312.461 2.592 20 0 DFADMP C[S@@](=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000155560332 398946723 /nfs/dbraw/zinc/94/67/23/398946723.db2.gz NILLSZACJNLJFX-NRFANRHFSA-N 2 1 308.491 2.777 20 0 DFADMP COC(=O)CCCC[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000599296327 398949952 /nfs/dbraw/zinc/94/99/52/398949952.db2.gz UYUYCRZKUMRSCP-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)CCCC[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000599296327 398949954 /nfs/dbraw/zinc/94/99/54/398949954.db2.gz UYUYCRZKUMRSCP-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP COC(=O)CCCC[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000599296327 398949955 /nfs/dbraw/zinc/94/99/55/398949955.db2.gz UYUYCRZKUMRSCP-IAGOWNOFSA-N 2 1 310.482 2.916 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000271896501 209305667 /nfs/dbraw/zinc/30/56/67/209305667.db2.gz UHZAOUPBDSNXST-LBPRGKRZSA-N 2 1 309.479 2.553 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)s1 ZINC000271896499 209305045 /nfs/dbraw/zinc/30/50/45/209305045.db2.gz UHZAOUPBDSNXST-GFCCVEGCSA-N 2 1 309.479 2.553 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCCc1ccc2c(c1)CCO2 ZINC000193267689 201016928 /nfs/dbraw/zinc/01/69/28/201016928.db2.gz NAWFWBJSFJHOPM-HNNXBMFYSA-N 2 1 313.445 2.985 20 0 DFADMP C[N@@H+]1CC[C@H]2CC[NH+](CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310924 201027194 /nfs/dbraw/zinc/02/71/94/201027194.db2.gz NQGCXDINDADFAD-FUHWJXTLSA-N 2 1 300.446 2.580 20 0 DFADMP C[N@H+]1CC[C@H]2CC[NH+](CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310924 201027197 /nfs/dbraw/zinc/02/71/97/201027197.db2.gz NQGCXDINDADFAD-FUHWJXTLSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CC[C@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310924 201027199 /nfs/dbraw/zinc/02/71/99/201027199.db2.gz NQGCXDINDADFAD-FUHWJXTLSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CC[C@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)[C@@H]2C1 ZINC000193310924 201027201 /nfs/dbraw/zinc/02/72/01/201027201.db2.gz NQGCXDINDADFAD-FUHWJXTLSA-N 2 1 300.446 2.580 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCOCC3)CC2)cc1 ZINC000271868941 209282550 /nfs/dbraw/zinc/28/25/50/209282550.db2.gz GCPHJZRSEFJTLF-SFHVURJKSA-N 2 1 320.452 2.991 20 0 DFADMP COc1ccc(C[C@@H](C)C[N@@H+]2C[C@H]3C[NH+](C)C[C@H]3C2)cc1F ZINC000194541693 201246995 /nfs/dbraw/zinc/24/69/95/201246995.db2.gz ALBAYXDLQJOOTJ-BMFZPTHFSA-N 2 1 306.425 2.506 20 0 DFADMP COc1ccc(C[C@@H](C)C[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1F ZINC000194541693 201246997 /nfs/dbraw/zinc/24/69/97/201246997.db2.gz ALBAYXDLQJOOTJ-BMFZPTHFSA-N 2 1 306.425 2.506 20 0 DFADMP COc1ccc(C[C@@H](C)C[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1F ZINC000194541693 201246999 /nfs/dbraw/zinc/24/69/99/201246999.db2.gz ALBAYXDLQJOOTJ-BMFZPTHFSA-N 2 1 306.425 2.506 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281562802 216386393 /nfs/dbraw/zinc/38/63/93/216386393.db2.gz CWHYNYIDKRHPGJ-SJORKVTESA-N 2 1 303.381 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000281562802 216386395 /nfs/dbraw/zinc/38/63/95/216386395.db2.gz CWHYNYIDKRHPGJ-SJORKVTESA-N 2 1 303.381 2.529 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@@H]1C)[NH+](C)C ZINC000474470696 299336327 /nfs/dbraw/zinc/33/63/27/299336327.db2.gz FNZPAPFUZSLIHA-LLLHUVSDSA-N 2 1 312.498 2.920 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796557 296051857 /nfs/dbraw/zinc/05/18/57/296051857.db2.gz SKJSCPZQCLXNOG-DOTOQJQBSA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796557 296051858 /nfs/dbraw/zinc/05/18/58/296051858.db2.gz SKJSCPZQCLXNOG-DOTOQJQBSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796557 296051859 /nfs/dbraw/zinc/05/18/59/296051859.db2.gz SKJSCPZQCLXNOG-DOTOQJQBSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796557 296051860 /nfs/dbraw/zinc/05/18/60/296051860.db2.gz SKJSCPZQCLXNOG-DOTOQJQBSA-N 2 1 317.477 2.693 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642252 399006261 /nfs/dbraw/zinc/00/62/61/399006261.db2.gz JAGYUUMDOYJVFT-BBWFWOEESA-N 2 1 323.525 2.639 20 0 DFADMP O[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000292951945 223324823 /nfs/dbraw/zinc/32/48/23/223324823.db2.gz CADROBXZFHUVDK-RTBURBONSA-N 2 1 320.452 2.679 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)[C@@H]1C ZINC000354164142 283857207 /nfs/dbraw/zinc/85/72/07/283857207.db2.gz OHFWLZWPRIOGDQ-PMPSAXMXSA-N 2 1 310.482 2.818 20 0 DFADMP CCOc1cncc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000621727655 399051120 /nfs/dbraw/zinc/05/11/20/399051120.db2.gz LOUCZVWNOMPRCT-KRWDZBQOSA-N 2 1 303.450 2.644 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271776892 209205589 /nfs/dbraw/zinc/20/55/89/209205589.db2.gz CQEUMHXSBCVWOT-UHFFFAOYSA-N 2 1 310.445 2.841 20 0 DFADMP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000057911498 399069822 /nfs/dbraw/zinc/06/98/22/399069822.db2.gz QCYSZOXUMITPLW-NVXWUHKLSA-N 2 1 305.466 2.526 20 0 DFADMP C[NH+](C)Cc1cccc(CNC(=O)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000479420383 299376790 /nfs/dbraw/zinc/37/67/90/299376790.db2.gz XTBAGXLHKXGCIR-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP c1ccc2c(c1)OC[C@H](C[N@@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)O2 ZINC000606540210 399085888 /nfs/dbraw/zinc/08/58/88/399085888.db2.gz BTIVBFQGRSJMMD-SJORKVTESA-N 2 1 316.445 2.777 20 0 DFADMP c1ccc2c(c1)OC[C@H](C[N@H+]1CCC[C@@H]([NH+]3CCCC3)CC1)O2 ZINC000606540210 399085897 /nfs/dbraw/zinc/08/58/97/399085897.db2.gz BTIVBFQGRSJMMD-SJORKVTESA-N 2 1 316.445 2.777 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755645 299386149 /nfs/dbraw/zinc/38/61/49/299386149.db2.gz PYPDHMFROUQSLZ-KKBVYLPWSA-N 2 1 316.449 2.701 20 0 DFADMP C[C@H]1C[N@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000418996564 296123363 /nfs/dbraw/zinc/12/33/63/296123363.db2.gz FKXLPHRVEVFNDA-STQMWFEESA-N 2 1 319.836 2.780 20 0 DFADMP C[C@H]1C[N@@H+](CCO)[C@@H](C)CN1c1cc[nH+]c2ccc(Cl)cc21 ZINC000418996564 296123364 /nfs/dbraw/zinc/12/33/64/296123364.db2.gz FKXLPHRVEVFNDA-STQMWFEESA-N 2 1 319.836 2.780 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cncc(F)c2)CC1 ZINC000275148421 212150524 /nfs/dbraw/zinc/15/05/24/212150524.db2.gz RJVCTHHGWUWMAO-UHFFFAOYSA-N 2 1 323.456 2.791 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCOCC3CCC3)C2)[nH+]1 ZINC000419210516 296128115 /nfs/dbraw/zinc/12/81/15/296128115.db2.gz VFJZSCLVFOUMFN-QGZVFWFLSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCOCC3CCC3)C2)[nH+]1 ZINC000419210516 296128117 /nfs/dbraw/zinc/12/81/17/296128117.db2.gz VFJZSCLVFOUMFN-QGZVFWFLSA-N 2 1 303.450 2.941 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCC(F)(F)C2)CC1 ZINC000338272656 284097480 /nfs/dbraw/zinc/09/74/80/284097480.db2.gz CQCIXLANFYUDBO-GOEBONIOSA-N 2 1 318.452 2.837 20 0 DFADMP CO[C@H](CC(C)C)C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000419315831 296134369 /nfs/dbraw/zinc/13/43/69/296134369.db2.gz WPGZBHSDXIRIDN-RBUKOAKNSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@H](CC(C)C)C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000419315831 296134371 /nfs/dbraw/zinc/13/43/71/296134371.db2.gz WPGZBHSDXIRIDN-RBUKOAKNSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000419315831 296134372 /nfs/dbraw/zinc/13/43/72/296134372.db2.gz WPGZBHSDXIRIDN-RBUKOAKNSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@H](CC(C)C)C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000419315831 296134373 /nfs/dbraw/zinc/13/43/73/296134373.db2.gz WPGZBHSDXIRIDN-RBUKOAKNSA-N 2 1 319.493 2.896 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000481723205 299399217 /nfs/dbraw/zinc/39/92/17/299399217.db2.gz KUKMADBRKDTMDX-DZGCQCFKSA-N 2 1 304.434 2.623 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cc(C)c(C)cc3C)C2)CC1 ZINC000093132616 193206395 /nfs/dbraw/zinc/20/63/95/193206395.db2.gz FANUNLKTYNSGEW-HXUWFJFHSA-N 2 1 315.505 2.824 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262095432 203197340 /nfs/dbraw/zinc/19/73/40/203197340.db2.gz BNVRURBJTHKWQY-CRAIPNDOSA-N 2 1 305.466 2.531 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCCOC)c2)C1 ZINC000093742011 193298614 /nfs/dbraw/zinc/29/86/14/193298614.db2.gz YEKZZBHCSDLCPR-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(OCCOC)c2)C1 ZINC000093742011 193298615 /nfs/dbraw/zinc/29/86/15/193298615.db2.gz YEKZZBHCSDLCPR-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(OCCOC)c2)C1 ZINC000093742011 193298617 /nfs/dbraw/zinc/29/86/17/193298617.db2.gz YEKZZBHCSDLCPR-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(OCCOC)c2)C1 ZINC000093742011 193298619 /nfs/dbraw/zinc/29/86/19/193298619.db2.gz YEKZZBHCSDLCPR-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cncs2)CC1 ZINC000093769402 193302452 /nfs/dbraw/zinc/30/24/52/193302452.db2.gz UHWJHKFONBTIPN-UHFFFAOYSA-N 2 1 311.495 2.714 20 0 DFADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000093994851 193337137 /nfs/dbraw/zinc/33/71/37/193337137.db2.gz QTHQNYRDEVKXNZ-NSHDSACASA-N 2 1 315.230 2.972 20 0 DFADMP C[N@H+](Cc1cc(F)cc(Br)c1)C[C@H]1CC[NH+](C)C1 ZINC000093994851 193337138 /nfs/dbraw/zinc/33/71/38/193337138.db2.gz QTHQNYRDEVKXNZ-NSHDSACASA-N 2 1 315.230 2.972 20 0 DFADMP C[NH+](Cc1cc(F)cc(Br)c1)C[C@H]1CC[N@H+](C)C1 ZINC000093994851 193337140 /nfs/dbraw/zinc/33/71/40/193337140.db2.gz QTHQNYRDEVKXNZ-NSHDSACASA-N 2 1 315.230 2.972 20 0 DFADMP C[NH+](Cc1cc(F)cc(Br)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000093994851 193337141 /nfs/dbraw/zinc/33/71/41/193337141.db2.gz QTHQNYRDEVKXNZ-NSHDSACASA-N 2 1 315.230 2.972 20 0 DFADMP COc1ccc(Br)cc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000093873039 193321062 /nfs/dbraw/zinc/32/10/62/193321062.db2.gz NAXMXXSDABSJMO-UHFFFAOYSA-N 2 1 315.255 2.874 20 0 DFADMP COc1ccc(Br)cc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000093873039 193321064 /nfs/dbraw/zinc/32/10/64/193321064.db2.gz NAXMXXSDABSJMO-UHFFFAOYSA-N 2 1 315.255 2.874 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCSCc2ccccc2)CCO1 ZINC000595905496 399129241 /nfs/dbraw/zinc/12/92/41/399129241.db2.gz DENAWJBTYYYMRO-SFHVURJKSA-N 2 1 322.518 2.962 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCC2)C[C@H]1c1ccccc1 ZINC000340386187 284179647 /nfs/dbraw/zinc/17/96/47/284179647.db2.gz BSXIJBVNQFMROD-FHWLQOOXSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCC2)C[C@H]1c1ccccc1 ZINC000340386187 284179650 /nfs/dbraw/zinc/17/96/50/284179650.db2.gz BSXIJBVNQFMROD-FHWLQOOXSA-N 2 1 302.462 2.963 20 0 DFADMP [NH3+]C1CCN(c2cc[nH+]c3ccc(Br)cc32)CC1 ZINC000420147040 296159574 /nfs/dbraw/zinc/15/95/74/296159574.db2.gz RNEREVJOXLYNOT-UHFFFAOYSA-N 2 1 306.207 2.925 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1F ZINC000282445870 217001086 /nfs/dbraw/zinc/00/10/86/217001086.db2.gz UUJCTRCOVNDPHP-ZDUSSCGKSA-N 2 1 311.420 2.641 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(F)c1F ZINC000282450516 217005455 /nfs/dbraw/zinc/00/54/55/217005455.db2.gz UZVDFEMQHKDBAU-CYBMUJFWSA-N 2 1 311.420 2.641 20 0 DFADMP [NH3+]C[C@H]1CCCN1c1cc[nH+]c2cc(Br)ccc21 ZINC000420202341 296162033 /nfs/dbraw/zinc/16/20/33/296162033.db2.gz PQERCFPHRXPUKO-LLVKDONJSA-N 2 1 306.207 2.925 20 0 DFADMP Fc1ccc(C[N@H+]2CCCN(CC[NH+]3CCCCC3)CC2)cc1 ZINC000264633393 204041024 /nfs/dbraw/zinc/04/10/24/204041024.db2.gz LCKPBKBZJRRWHD-UHFFFAOYSA-N 2 1 319.468 2.819 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]1C ZINC000596058072 399157972 /nfs/dbraw/zinc/15/79/72/399157972.db2.gz BXWVKOQSMNTXJV-UBDQQSCGSA-N 2 1 322.493 2.676 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]1C ZINC000596058070 399157881 /nfs/dbraw/zinc/15/78/81/399157881.db2.gz BXWVKOQSMNTXJV-DKIMLUQUSA-N 2 1 322.493 2.676 20 0 DFADMP CCS[C@H]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294533 296170422 /nfs/dbraw/zinc/17/04/22/296170422.db2.gz AZUAWFYBLXJIJI-XSLAGTTESA-N 2 1 322.518 2.523 20 0 DFADMP COC(=O)c1cc2cc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)ccc2o1 ZINC000420297026 296170806 /nfs/dbraw/zinc/17/08/06/296170806.db2.gz YCPMFRGNESQNRX-TZMCWYRMSA-N 2 1 316.401 2.779 20 0 DFADMP FC(F)(F)C1(C(F)(F)F)CC[N@@H+](CC[C@@H]2CC[NH2+]C2)C1 ZINC000420296460 296170853 /nfs/dbraw/zinc/17/08/53/296170853.db2.gz DPXIGIZDNPYTBV-VIFPVBQESA-N 2 1 304.278 2.803 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420296157 296171002 /nfs/dbraw/zinc/17/10/02/296171002.db2.gz PZTBCYKHNOZJMG-ZDUSSCGKSA-N 2 1 316.836 2.886 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)nc(-c2ccc(Cl)cc2)n1 ZINC000420296157 296171003 /nfs/dbraw/zinc/17/10/03/296171003.db2.gz PZTBCYKHNOZJMG-ZDUSSCGKSA-N 2 1 316.836 2.886 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000420302170 296171640 /nfs/dbraw/zinc/17/16/40/296171640.db2.gz BGSZKCBPFQYYNM-JKSUJKDBSA-N 2 1 303.450 2.691 20 0 DFADMP CCO[C@@H]1C[C@@H]([N@@H+](C)C[C@@H](C[NH3+])c2ccc(OC)cc2)C1(C)C ZINC000420302540 296171663 /nfs/dbraw/zinc/17/16/63/296171663.db2.gz MNCIJHQXCUNIQH-KBAYOESNSA-N 2 1 320.477 2.873 20 0 DFADMP CC[N@H+](Cc1cc(C(=O)OC)sc1C)[C@@H]1CCC[NH2+]CC1 ZINC000420301646 296171749 /nfs/dbraw/zinc/17/17/49/296171749.db2.gz AQEBIQIWOSBUCB-CQSZACIVSA-N 2 1 310.463 2.807 20 0 DFADMP CC[N@@H+](Cc1cc(C(=O)OC)sc1C)[C@@H]1CCC[NH2+]CC1 ZINC000420301646 296171750 /nfs/dbraw/zinc/17/17/50/296171750.db2.gz AQEBIQIWOSBUCB-CQSZACIVSA-N 2 1 310.463 2.807 20 0 DFADMP Cc1c(Br)cccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420299765 296171424 /nfs/dbraw/zinc/17/14/24/296171424.db2.gz BQRCXUUCFSFVTH-GZBFAFLISA-N 2 1 309.251 2.927 20 0 DFADMP Cc1c(Br)cccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000420299765 296171425 /nfs/dbraw/zinc/17/14/25/296171425.db2.gz BQRCXUUCFSFVTH-GZBFAFLISA-N 2 1 309.251 2.927 20 0 DFADMP CC[N@H+](Cc1cc(C(=O)OC)sc1C)[C@H]1CCC[NH2+]CC1 ZINC000420301644 296171579 /nfs/dbraw/zinc/17/15/79/296171579.db2.gz AQEBIQIWOSBUCB-AWEZNQCLSA-N 2 1 310.463 2.807 20 0 DFADMP CC[N@@H+](Cc1cc(C(=O)OC)sc1C)[C@H]1CCC[NH2+]CC1 ZINC000420301644 296171581 /nfs/dbraw/zinc/17/15/81/296171581.db2.gz AQEBIQIWOSBUCB-AWEZNQCLSA-N 2 1 310.463 2.807 20 0 DFADMP C[N@@H+](CCC1CCCCC1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420304493 296172191 /nfs/dbraw/zinc/17/21/91/296172191.db2.gz OPDIYKXGFGHBPG-OALUTQOASA-N 2 1 304.478 2.820 20 0 DFADMP C[C@H](C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1 ZINC000420302585 296171798 /nfs/dbraw/zinc/17/17/98/296171798.db2.gz MSBHYMTXLBCUEU-UXPWSPDFSA-N 2 1 312.457 2.653 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000420302169 296171926 /nfs/dbraw/zinc/17/19/26/296171926.db2.gz BGSZKCBPFQYYNM-HZPDHXFCSA-N 2 1 303.450 2.691 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)[C@H]1CCC[NH2+]CC1 ZINC000420308525 296172813 /nfs/dbraw/zinc/17/28/13/296172813.db2.gz KIPKRMSGJQWNBE-HNNXBMFYSA-N 2 1 309.841 2.743 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)CC[C@@H]1CC[NH2+]C1 ZINC000420304123 296172327 /nfs/dbraw/zinc/17/23/27/296172327.db2.gz KXRZBWBVQCBAEU-INIZCTEOSA-N 2 1 312.461 2.941 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420306913 296172582 /nfs/dbraw/zinc/17/25/82/296172582.db2.gz LJASQPFDBVWUQC-QAETUUGQSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c1C ZINC000420306913 296172583 /nfs/dbraw/zinc/17/25/83/296172583.db2.gz LJASQPFDBVWUQC-QAETUUGQSA-N 2 1 315.461 2.690 20 0 DFADMP c1ccc(C[N@H+](CC[C@@H]2CCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420305533 296172674 /nfs/dbraw/zinc/17/26/74/296172674.db2.gz GPHWCQYSSNYWEF-MSOLQXFVSA-N 2 1 303.450 2.595 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420313099 296173645 /nfs/dbraw/zinc/17/36/45/296173645.db2.gz INNCBRNZPOSPPT-RYUDHWBXSA-N 2 1 318.442 2.857 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420313099 296173647 /nfs/dbraw/zinc/17/36/47/296173647.db2.gz INNCBRNZPOSPPT-RYUDHWBXSA-N 2 1 318.442 2.857 20 0 DFADMP c1ccc(C[N@H+](CC[C@@H]2CCCCO2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000420313716 296173731 /nfs/dbraw/zinc/17/37/31/296173731.db2.gz PTTJWSWFTGJWRM-MOPGFXCFSA-N 2 1 317.477 2.985 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1C ZINC000420319389 296174335 /nfs/dbraw/zinc/17/43/35/296174335.db2.gz ABFNLFOBIQVIBZ-HOTGVXAUSA-N 2 1 303.450 2.529 20 0 DFADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH2+]C1)OCCO2 ZINC000420316035 296174051 /nfs/dbraw/zinc/17/40/51/296174051.db2.gz MFRAWUYWBPHUPV-DOTOQJQBSA-N 2 1 316.445 2.984 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)c1 ZINC000607385152 399164223 /nfs/dbraw/zinc/16/42/23/399164223.db2.gz YVVGXWBRCLVILS-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420326870 296175526 /nfs/dbraw/zinc/17/55/26/296175526.db2.gz XTXRMEGGNDCODN-DOTOQJQBSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cncc(OCc2ccccc2)c1 ZINC000420326870 296175528 /nfs/dbraw/zinc/17/55/28/296175528.db2.gz XTXRMEGGNDCODN-DOTOQJQBSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000622003718 399165220 /nfs/dbraw/zinc/16/52/20/399165220.db2.gz DXHAEPQAUUZFIK-MJGOQNOKSA-N 2 1 310.445 2.709 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000622003718 399165224 /nfs/dbraw/zinc/16/52/24/399165224.db2.gz DXHAEPQAUUZFIK-MJGOQNOKSA-N 2 1 310.445 2.709 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321265 296174874 /nfs/dbraw/zinc/17/48/74/296174874.db2.gz COZYGRMVVREVNG-RHSMWYFYSA-N 2 1 304.409 2.500 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C)s1 ZINC000420338904 296177400 /nfs/dbraw/zinc/17/74/00/296177400.db2.gz YGYGHTWLWNTGHF-KGLIPLIRSA-N 2 1 322.474 2.665 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420338281 296177543 /nfs/dbraw/zinc/17/75/43/296177543.db2.gz XQTDUXZGDCIYFO-VQTJNVASSA-N 2 1 316.489 2.957 20 0 DFADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420347381 296178474 /nfs/dbraw/zinc/17/84/74/296178474.db2.gz YILFXYXRAZWWKS-OIISXLGYSA-N 2 1 315.461 2.507 20 0 DFADMP Fc1ccccc1-c1cnc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)o1 ZINC000420347387 296178508 /nfs/dbraw/zinc/17/85/08/296178508.db2.gz YLLVSWPYFLNGPS-OKILXGFUSA-N 2 1 315.392 2.912 20 0 DFADMP CCc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420346578 296178526 /nfs/dbraw/zinc/17/85/26/296178526.db2.gz YTYMQXKAOPOWBS-IAGOWNOFSA-N 2 1 315.461 2.509 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCCc1nc(-c2ccccc2)no1 ZINC000420353929 296178756 /nfs/dbraw/zinc/17/87/56/296178756.db2.gz CKVXCLXOWZDKDS-CQSZACIVSA-N 2 1 302.422 2.632 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+](Cc2ccccn2)C2CC2)cc1 ZINC000420352962 296178782 /nfs/dbraw/zinc/17/87/82/296178782.db2.gz BBSNCFLEPKDHKT-MRXNPFEDSA-N 2 1 311.429 2.797 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccccn2)C2CC2)cc1 ZINC000420352962 296178783 /nfs/dbraw/zinc/17/87/83/296178783.db2.gz BBSNCFLEPKDHKT-MRXNPFEDSA-N 2 1 311.429 2.797 20 0 DFADMP C[C@@H](C1CCCCC1)[N@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420357064 296179634 /nfs/dbraw/zinc/17/96/34/296179634.db2.gz HLRDQUSGRXKOHL-SNRMKQJTSA-N 2 1 304.478 2.818 20 0 DFADMP C[C@@H](C1CCCCC1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420357064 296179635 /nfs/dbraw/zinc/17/96/35/296179635.db2.gz HLRDQUSGRXKOHL-SNRMKQJTSA-N 2 1 304.478 2.818 20 0 DFADMP COc1cccc(NC(=O)CC[NH2+][C@H](C[NH3+])C2CCCCC2)c1 ZINC000420365778 296180720 /nfs/dbraw/zinc/18/07/20/296180720.db2.gz LONQCACXJHUDBA-QGZVFWFLSA-N 2 1 319.449 2.521 20 0 DFADMP CC(C)(C)[C@@H](C[NH3+])[NH2+]CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000420363501 296180407 /nfs/dbraw/zinc/18/04/07/296180407.db2.gz NXUOGJFGZJMWDT-IAGOWNOFSA-N 2 1 317.477 2.533 20 0 DFADMP [NH3+]C[C@@H]([NH2+]CCc1nc(-c2ccccc2)no1)C1CCCCC1 ZINC000420373128 296182234 /nfs/dbraw/zinc/18/22/34/296182234.db2.gz QUJDIHFVTZIQFO-MRXNPFEDSA-N 2 1 314.433 2.776 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420374292 296182407 /nfs/dbraw/zinc/18/24/07/296182407.db2.gz NJDLPZCKEUHBLN-SFHVURJKSA-N 2 1 304.434 2.540 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420376096 296182644 /nfs/dbraw/zinc/18/26/44/296182644.db2.gz AGGDBFIGRMRKOI-NVXWUHKLSA-N 2 1 303.450 2.671 20 0 DFADMP COc1c(C)cnc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420376096 296182645 /nfs/dbraw/zinc/18/26/45/296182645.db2.gz AGGDBFIGRMRKOI-NVXWUHKLSA-N 2 1 303.450 2.671 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1C ZINC000420376096 296182647 /nfs/dbraw/zinc/18/26/47/296182647.db2.gz AGGDBFIGRMRKOI-NVXWUHKLSA-N 2 1 303.450 2.671 20 0 DFADMP CC[C@@H](c1ccccc1)[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)OC ZINC000420373638 296182190 /nfs/dbraw/zinc/18/21/90/296182190.db2.gz MRNPNOVKLUAINW-WBVHZDCISA-N 2 1 304.434 2.612 20 0 DFADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000420376666 296182819 /nfs/dbraw/zinc/18/28/19/296182819.db2.gz KAWVPNANADTREG-HLLBOEOZSA-N 2 1 305.470 2.590 20 0 DFADMP Fc1ccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420382137 296183744 /nfs/dbraw/zinc/18/37/44/296183744.db2.gz YKBVQIPNIPGFAZ-LRDDRELGSA-N 2 1 312.816 2.852 20 0 DFADMP Fc1ccc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c(Cl)c1 ZINC000420382137 296183745 /nfs/dbraw/zinc/18/37/45/296183745.db2.gz YKBVQIPNIPGFAZ-LRDDRELGSA-N 2 1 312.816 2.852 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2cccc3ccccc32)CCCO1 ZINC000420383851 296183889 /nfs/dbraw/zinc/18/38/89/296183889.db2.gz FWJVQUONFZUVPC-QGZVFWFLSA-N 2 1 314.429 2.658 20 0 DFADMP Cc1cccc(-c2noc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)c1 ZINC000342084525 284322085 /nfs/dbraw/zinc/32/20/85/284322085.db2.gz LRAWSAAGPLAVHA-JYJNAYRXSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1cccc(-c2noc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)n2)c1 ZINC000342084525 284322087 /nfs/dbraw/zinc/32/20/87/284322087.db2.gz LRAWSAAGPLAVHA-JYJNAYRXSA-N 2 1 312.417 2.604 20 0 DFADMP C[C@H](c1ccccc1Cl)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420390210 296184898 /nfs/dbraw/zinc/18/48/98/296184898.db2.gz ZAOMAEIKROKTKP-TZMCWYRMSA-N 2 1 319.840 2.788 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000342090705 284324735 /nfs/dbraw/zinc/32/47/35/284324735.db2.gz BUADFOVTHXTTRS-JEBQAFNWSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccn(-c4ccc(F)cc4)n3)C[C@@H]21 ZINC000342090705 284324738 /nfs/dbraw/zinc/32/47/38/284324738.db2.gz BUADFOVTHXTTRS-JEBQAFNWSA-N 2 1 314.408 2.571 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CCCO1 ZINC000420392956 296185330 /nfs/dbraw/zinc/18/53/30/296185330.db2.gz QANATRSFPIAIRQ-LJQANCHMSA-N 2 1 314.429 2.658 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420393500 296185342 /nfs/dbraw/zinc/18/53/42/296185342.db2.gz JSIGIOUSQLHRIV-LPHOPBHVSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420393499 296185351 /nfs/dbraw/zinc/18/53/51/296185351.db2.gz JSIGIOUSQLHRIV-APWZRJJASA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000420393502 296185442 /nfs/dbraw/zinc/18/54/42/296185442.db2.gz JSIGIOUSQLHRIV-VQIMIIECSA-N 2 1 318.461 2.928 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000420399414 296186201 /nfs/dbraw/zinc/18/62/01/296186201.db2.gz HRIHHAXWMBVNKL-KBMXLJTQSA-N 2 1 303.450 2.547 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1C ZINC000420399414 296186204 /nfs/dbraw/zinc/18/62/04/296186204.db2.gz HRIHHAXWMBVNKL-KBMXLJTQSA-N 2 1 303.450 2.547 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000420399413 296186249 /nfs/dbraw/zinc/18/62/49/296186249.db2.gz HRIHHAXWMBVNKL-CWRNSKLLSA-N 2 1 303.450 2.547 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1C ZINC000420399413 296186251 /nfs/dbraw/zinc/18/62/51/296186251.db2.gz HRIHHAXWMBVNKL-CWRNSKLLSA-N 2 1 303.450 2.547 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000600953411 399185845 /nfs/dbraw/zinc/18/58/45/399185845.db2.gz RIBBWDIEIAZQOJ-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CC)CC1)[C@H](O)c1c(F)cccc1F ZINC000271675437 209116715 /nfs/dbraw/zinc/11/67/15/209116715.db2.gz HFSORJNSCOLHAY-WBVHZDCISA-N 2 1 312.404 2.851 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000618657866 399199829 /nfs/dbraw/zinc/19/98/29/399199829.db2.gz RMJKMERHFPJWFF-KRWDZBQOSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000600996965 399199052 /nfs/dbraw/zinc/19/90/52/399199052.db2.gz OKDSUEBXAPCFOQ-RDJZCZTQSA-N 2 1 317.477 2.716 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000600996967 399199085 /nfs/dbraw/zinc/19/90/85/399199085.db2.gz OKDSUEBXAPCFOQ-WBVHZDCISA-N 2 1 317.477 2.716 20 0 DFADMP Cc1cc(CNC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)cc(C)n1 ZINC000420789131 296202150 /nfs/dbraw/zinc/20/21/50/296202150.db2.gz DLCDEPDANZMBCB-JKSUJKDBSA-N 2 1 318.465 2.761 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)n1-c1ccccc1 ZINC000081292618 399223410 /nfs/dbraw/zinc/22/34/10/399223410.db2.gz ZUFLGFWQXIUQIR-MRXNPFEDSA-N 2 1 310.445 2.755 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)n1-c1ccccc1 ZINC000081292618 399223413 /nfs/dbraw/zinc/22/34/13/399223413.db2.gz ZUFLGFWQXIUQIR-MRXNPFEDSA-N 2 1 310.445 2.755 20 0 DFADMP CO[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922151 296212809 /nfs/dbraw/zinc/21/28/09/296212809.db2.gz NGYRKUSUTGXCTA-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000267447226 206074399 /nfs/dbraw/zinc/07/43/99/206074399.db2.gz KMBCZUNKVIWJBF-DOTOQJQBSA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000267447226 206074401 /nfs/dbraw/zinc/07/44/01/206074401.db2.gz KMBCZUNKVIWJBF-DOTOQJQBSA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2nc3ccccc3n2C)[C@@H](C)C1 ZINC000267447226 206074407 /nfs/dbraw/zinc/07/44/07/206074407.db2.gz KMBCZUNKVIWJBF-DOTOQJQBSA-N 2 1 314.477 2.778 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](CCSC(C)C)CC2)CC1 ZINC000420976301 296219715 /nfs/dbraw/zinc/21/97/15/296219715.db2.gz GSUXZTRPDZLMHJ-UHFFFAOYSA-N 2 1 313.555 2.620 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031033 296228861 /nfs/dbraw/zinc/22/88/61/296228861.db2.gz ZKHDYQHQSUJTIJ-MSOLQXFVSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031033 296228862 /nfs/dbraw/zinc/22/88/62/296228862.db2.gz ZKHDYQHQSUJTIJ-MSOLQXFVSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031033 296228863 /nfs/dbraw/zinc/22/88/63/296228863.db2.gz ZKHDYQHQSUJTIJ-MSOLQXFVSA-N 2 1 302.462 2.710 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1(C)C)C1CC1 ZINC000421031033 296228865 /nfs/dbraw/zinc/22/88/65/296228865.db2.gz ZKHDYQHQSUJTIJ-MSOLQXFVSA-N 2 1 302.462 2.710 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000608362561 399256505 /nfs/dbraw/zinc/25/65/05/399256505.db2.gz RULQEGJLBUCAIA-RDJZCZTQSA-N 2 1 318.465 2.620 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3ccoc3C)CC2)CC1 ZINC000421376480 296250246 /nfs/dbraw/zinc/25/02/46/296250246.db2.gz QNBXDAJZCWIMRP-UHFFFAOYSA-N 2 1 305.466 2.580 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+]2CCC[C@H](n3cc[nH+]c3C)C2)o1 ZINC000609260104 399310717 /nfs/dbraw/zinc/31/07/17/399310717.db2.gz AJNASNKRRBNPSQ-JSGCOSHPSA-N 2 1 317.389 2.969 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CCC[C@H](n3cc[nH+]c3C)C2)o1 ZINC000609260104 399310718 /nfs/dbraw/zinc/31/07/18/399310718.db2.gz AJNASNKRRBNPSQ-JSGCOSHPSA-N 2 1 317.389 2.969 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)c(C)o1 ZINC000609260164 399310865 /nfs/dbraw/zinc/31/08/65/399310865.db2.gz FXDZMIDVOLEIBY-OAHLLOKOSA-N 2 1 317.389 2.717 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)c(C)o1 ZINC000609260164 399310867 /nfs/dbraw/zinc/31/08/67/399310867.db2.gz FXDZMIDVOLEIBY-OAHLLOKOSA-N 2 1 317.389 2.717 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000042900710 183317500 /nfs/dbraw/zinc/31/75/00/183317500.db2.gz FKKRUOKOJNJTLP-HNNXBMFYSA-N 2 1 313.449 2.826 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1c[nH]nc1-c1cccnc1 ZINC000042900710 183317503 /nfs/dbraw/zinc/31/75/03/183317503.db2.gz FKKRUOKOJNJTLP-HNNXBMFYSA-N 2 1 313.449 2.826 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccccc1OCc1ccccn1 ZINC000623086807 399324799 /nfs/dbraw/zinc/32/47/99/399324799.db2.gz LGDIUKLOSMNELS-UHFFFAOYSA-N 2 1 322.412 2.726 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(OCc2ccncc2)cc1 ZINC000623086932 399324834 /nfs/dbraw/zinc/32/48/34/399324834.db2.gz SLVATPFKIJEGHO-UHFFFAOYSA-N 2 1 322.412 2.726 20 0 DFADMP Cc1nc2scc(C3CC3)n2c1C[NH2+]CCc1c[nH+]cn1C ZINC000623086271 399323931 /nfs/dbraw/zinc/32/39/31/399323931.db2.gz GJWCPNFUQBUMAJ-UHFFFAOYSA-N 2 1 315.446 2.647 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000284472241 218042006 /nfs/dbraw/zinc/04/20/06/218042006.db2.gz VXBPMCNDYKPQSW-LNLFQRSKSA-N 2 1 317.477 2.514 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000284472226 218042229 /nfs/dbraw/zinc/04/22/29/218042229.db2.gz VXBPMCNDYKPQSW-AOIWGVFYSA-N 2 1 317.477 2.514 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000284472484 218042392 /nfs/dbraw/zinc/04/23/92/218042392.db2.gz UKHUXFZXGBCLJA-DNVCBOLYSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n(C)n1 ZINC000284472484 218042394 /nfs/dbraw/zinc/04/23/94/218042394.db2.gz UKHUXFZXGBCLJA-DNVCBOLYSA-N 2 1 312.461 2.729 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@H]1C[C@@H]1c1ccc(OC)cc1 ZINC000284593196 218091715 /nfs/dbraw/zinc/09/17/15/218091715.db2.gz ZTWDSPBSUJWTNO-ATZDWAIDSA-N 2 1 320.477 2.745 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000284685726 218132823 /nfs/dbraw/zinc/13/28/23/218132823.db2.gz HFCVBDZTBFYTSO-HOCLYGCPSA-N 2 1 324.490 2.615 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000284685726 218132824 /nfs/dbraw/zinc/13/28/24/218132824.db2.gz HFCVBDZTBFYTSO-HOCLYGCPSA-N 2 1 324.490 2.615 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@]2(CC[NH+](C)C2)C1)C1CCCCC1 ZINC000615600255 399358931 /nfs/dbraw/zinc/35/89/31/399358931.db2.gz BPOAXKRNPRLUPN-LJQANCHMSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1)C1CCCCC1 ZINC000615600255 399358933 /nfs/dbraw/zinc/35/89/33/399358933.db2.gz BPOAXKRNPRLUPN-LJQANCHMSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1)C1CCCCC1 ZINC000615600255 399358938 /nfs/dbraw/zinc/35/89/38/399358938.db2.gz BPOAXKRNPRLUPN-LJQANCHMSA-N 2 1 321.509 2.585 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000105443318 194104411 /nfs/dbraw/zinc/10/44/11/194104411.db2.gz KCLIOHZICAWLOD-ZDUSSCGKSA-N 2 1 300.406 2.576 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)CCCc2ccccc2)CC1 ZINC000105862449 194150706 /nfs/dbraw/zinc/15/07/06/194150706.db2.gz FPVVACUJQQFSLX-QGZVFWFLSA-N 2 1 304.478 2.644 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC1CC1 ZINC000623360979 399371831 /nfs/dbraw/zinc/37/18/31/399371831.db2.gz ICQIJUGQHVBSLR-JKSUJKDBSA-N 2 1 316.445 2.953 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC1CC1 ZINC000623360979 399371832 /nfs/dbraw/zinc/37/18/32/399371832.db2.gz ICQIJUGQHVBSLR-JKSUJKDBSA-N 2 1 316.445 2.953 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897309 194163199 /nfs/dbraw/zinc/16/31/99/194163199.db2.gz OQFUHZPXOAKBCO-XHSDSOJGSA-N 2 1 320.481 2.776 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2CC)C1 ZINC000105897309 194163202 /nfs/dbraw/zinc/16/32/02/194163202.db2.gz OQFUHZPXOAKBCO-XHSDSOJGSA-N 2 1 320.481 2.776 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)CC1(C)C ZINC000623361628 399372686 /nfs/dbraw/zinc/37/26/86/399372686.db2.gz HVEZPCRMPXWHFQ-QGZVFWFLSA-N 2 1 316.493 2.508 20 0 DFADMP C[NH+](C)CCOc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623361828 399372698 /nfs/dbraw/zinc/37/26/98/399372698.db2.gz RILZAEZZJXCXCN-KRWDZBQOSA-N 2 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623361828 399372700 /nfs/dbraw/zinc/37/27/00/399372700.db2.gz RILZAEZZJXCXCN-KRWDZBQOSA-N 3 1 319.493 2.589 20 0 DFADMP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623361828 399372702 /nfs/dbraw/zinc/37/27/02/399372702.db2.gz RILZAEZZJXCXCN-KRWDZBQOSA-N 3 1 319.493 2.589 20 0 DFADMP C[NH+](C)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363187 399372803 /nfs/dbraw/zinc/37/28/03/399372803.db2.gz FBEAKYVIFVHKHT-IRXDYDNUSA-N 2 1 307.457 2.891 20 0 DFADMP CN(C)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363187 399372805 /nfs/dbraw/zinc/37/28/05/399372805.db2.gz FBEAKYVIFVHKHT-IRXDYDNUSA-N 2 1 307.457 2.891 20 0 DFADMP CN(C)[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363187 399372809 /nfs/dbraw/zinc/37/28/09/399372809.db2.gz FBEAKYVIFVHKHT-IRXDYDNUSA-N 2 1 307.457 2.891 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1(C)C ZINC000623380589 399376262 /nfs/dbraw/zinc/37/62/62/399376262.db2.gz GDKCPTSNIGGIDC-KRWDZBQOSA-N 2 1 315.461 2.541 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(C(=O)NC3CC3)c2)CC1(C)C ZINC000623380589 399376265 /nfs/dbraw/zinc/37/62/65/399376265.db2.gz GDKCPTSNIGGIDC-KRWDZBQOSA-N 2 1 315.461 2.541 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(F)cc1OC ZINC000623388211 399377598 /nfs/dbraw/zinc/37/75/98/399377598.db2.gz AKFHSAYYYBWRTH-ZDUSSCGKSA-N 2 1 319.380 2.534 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC1(C)C ZINC000623398994 399380375 /nfs/dbraw/zinc/38/03/75/399380375.db2.gz VIWDXNPRSAPQDB-OAHLLOKOSA-N 2 1 304.434 2.810 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)CC1(C)C ZINC000623398994 399380379 /nfs/dbraw/zinc/38/03/79/399380379.db2.gz VIWDXNPRSAPQDB-OAHLLOKOSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2CCCc3c(O)cccc32)CCCO1 ZINC000285154487 218311876 /nfs/dbraw/zinc/31/18/76/218311876.db2.gz MJRQNIMVDFBCBR-YJBOKZPZSA-N 2 1 318.461 2.860 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000623418185 399385169 /nfs/dbraw/zinc/38/51/69/399385169.db2.gz GFIHNJMGHKSSBN-WCQYABFASA-N 2 1 302.422 2.792 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000623418185 399385171 /nfs/dbraw/zinc/38/51/71/399385171.db2.gz GFIHNJMGHKSSBN-WCQYABFASA-N 2 1 302.422 2.792 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCc2csc(N3CCCC3)n2)CC1(C)C ZINC000623423297 399385892 /nfs/dbraw/zinc/38/58/92/399385892.db2.gz AVLVTQRMCBVAJE-CQSZACIVSA-N 2 1 322.522 2.748 20 0 DFADMP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623435368 399388739 /nfs/dbraw/zinc/38/87/39/399388739.db2.gz BOQUEYVMPSMEDI-IKGGRYGDSA-N 2 1 323.525 2.732 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2ccccc2)CC1 ZINC000109755264 194283164 /nfs/dbraw/zinc/28/31/64/194283164.db2.gz VUWXVXHILLUOSJ-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@H]2COc3ccccc3O2)CC1(C)C ZINC000623452629 399393314 /nfs/dbraw/zinc/39/33/14/399393314.db2.gz KBBFTNPRDVYLGE-CABCVRRESA-N 2 1 304.434 2.679 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc(C3CC3)c2)CC12CCOCC2 ZINC000422557626 296311975 /nfs/dbraw/zinc/31/19/75/296311975.db2.gz WTRIOMVRUDYPJI-GOSISDBHSA-N 2 1 300.446 2.751 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cn1 ZINC000422558238 296312237 /nfs/dbraw/zinc/31/22/37/296312237.db2.gz ANXDOYXEAQGUAH-VYDXJSESSA-N 2 1 304.482 2.731 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC[C@@H]2COc3ccccc3O2)CC1(C)C ZINC000623452631 399393789 /nfs/dbraw/zinc/39/37/89/399393789.db2.gz KBBFTNPRDVYLGE-HUUCEWRRSA-N 2 1 304.434 2.679 20 0 DFADMP C[NH+](C)C1CCC([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000422558826 296312315 /nfs/dbraw/zinc/31/23/15/296312315.db2.gz ZUDZIMOILJBJFB-CHPDAQJUSA-N 3 1 301.478 2.942 20 0 DFADMP COCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1 ZINC000422561264 296312805 /nfs/dbraw/zinc/31/28/05/296312805.db2.gz KFVHNBNJYOOCHX-ZOBUZTSGSA-N 2 1 306.450 2.517 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000268845911 207012423 /nfs/dbraw/zinc/01/24/23/207012423.db2.gz AHSBVDMFGBCSNF-NEPXVJNWSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@H]1CCOC1 ZINC000268845911 207012426 /nfs/dbraw/zinc/01/24/26/207012426.db2.gz AHSBVDMFGBCSNF-NEPXVJNWSA-N 2 1 302.462 2.912 20 0 DFADMP CCC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(OC)cc1 ZINC000268858260 207027050 /nfs/dbraw/zinc/02/70/50/207027050.db2.gz RNVAXRBJDNAPAI-SJLPKXTDSA-N 2 1 306.450 2.583 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000110649598 194346186 /nfs/dbraw/zinc/34/61/86/194346186.db2.gz LMUGEIMTMZXNDC-LBPRGKRZSA-N 2 1 309.841 2.646 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cnc2ccsc2c1 ZINC000268868536 207037645 /nfs/dbraw/zinc/03/76/45/207037645.db2.gz USGSZMBGXPINPR-CYBMUJFWSA-N 2 1 319.474 2.794 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1cnc2ccsc2c1 ZINC000268868537 207038592 /nfs/dbraw/zinc/03/85/92/207038592.db2.gz USGSZMBGXPINPR-ZDUSSCGKSA-N 2 1 319.474 2.794 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3cccc(OC)c3)C2)[C@@H](C)C1 ZINC000268880700 207050392 /nfs/dbraw/zinc/05/03/92/207050392.db2.gz WOTKATQJYDLQDX-BXWFABGCSA-N 2 1 317.477 2.594 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@]2(O)CCC[C@H](C(F)(F)F)C2)CC1(C)C ZINC000623502772 399403562 /nfs/dbraw/zinc/40/35/62/399403562.db2.gz ZZOACDWHTDFWTI-KCQAQPDRSA-N 2 1 322.415 2.932 20 0 DFADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623499480 399402832 /nfs/dbraw/zinc/40/28/32/399402832.db2.gz HRFIPWAZLRGHBH-PMPSAXMXSA-N 2 1 320.481 2.586 20 0 DFADMP CC[C@H](C)[C@@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268930362 207097933 /nfs/dbraw/zinc/09/79/33/207097933.db2.gz ZGPXXRQJWQKSAU-LPHOPBHVSA-N 2 1 304.478 2.690 20 0 DFADMP CCCC[N@@H+](C)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422706641 296319334 /nfs/dbraw/zinc/31/93/34/296319334.db2.gz FQLMHVWFMVQQEK-RBUKOAKNSA-N 2 1 319.493 2.810 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422708630 296319389 /nfs/dbraw/zinc/31/93/89/296319389.db2.gz CCMGJKVZFVYIRI-BXWFABGCSA-N 2 1 301.478 2.553 20 0 DFADMP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422711311 296320122 /nfs/dbraw/zinc/32/01/22/296320122.db2.gz GWYQWRAUYRUKIO-IIAWOOMASA-N 2 1 307.507 2.615 20 0 DFADMP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422711311 296320124 /nfs/dbraw/zinc/32/01/24/296320124.db2.gz GWYQWRAUYRUKIO-IIAWOOMASA-N 2 1 307.507 2.615 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422711309 296320211 /nfs/dbraw/zinc/32/02/11/296320211.db2.gz GWYQWRAUYRUKIO-DZKIICNBSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@@H](CN[C@@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422711309 296320213 /nfs/dbraw/zinc/32/02/13/296320213.db2.gz GWYQWRAUYRUKIO-DZKIICNBSA-N 2 1 307.507 2.615 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422712948 296320302 /nfs/dbraw/zinc/32/03/02/296320302.db2.gz JCMULQLAKCVPQK-IEBWSBKVSA-N 3 1 303.494 2.658 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CCN(CCc2ccccc2)C1 ZINC000422712948 296320303 /nfs/dbraw/zinc/32/03/03/296320303.db2.gz JCMULQLAKCVPQK-IEBWSBKVSA-N 2 1 303.494 2.658 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2cccc(OC)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422715277 296320408 /nfs/dbraw/zinc/32/04/08/296320408.db2.gz RXSLKUXNCBCJIY-ZYSHUDEJSA-N 2 1 317.477 2.784 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940855 207104427 /nfs/dbraw/zinc/10/44/27/207104427.db2.gz AGRSXTSRTLDIFH-ZWKOTPCHSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940855 207104429 /nfs/dbraw/zinc/10/44/29/207104429.db2.gz AGRSXTSRTLDIFH-ZWKOTPCHSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000268940855 207104434 /nfs/dbraw/zinc/10/44/34/207104434.db2.gz AGRSXTSRTLDIFH-ZWKOTPCHSA-N 2 1 300.446 2.580 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940854 207104554 /nfs/dbraw/zinc/10/45/54/207104554.db2.gz AGRSXTSRTLDIFH-ROUUACIJSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940854 207104556 /nfs/dbraw/zinc/10/45/56/207104556.db2.gz AGRSXTSRTLDIFH-ROUUACIJSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000268940854 207104561 /nfs/dbraw/zinc/10/45/61/207104561.db2.gz AGRSXTSRTLDIFH-ROUUACIJSA-N 2 1 300.446 2.580 20 0 DFADMP Cc1cc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc(N2CCCC2)n1 ZINC000623527993 399408792 /nfs/dbraw/zinc/40/87/92/399408792.db2.gz SIEVRLCQUGKNAS-QGZVFWFLSA-N 2 1 316.493 2.953 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc(N2CCCC2)n1 ZINC000623527993 399408800 /nfs/dbraw/zinc/40/88/00/399408800.db2.gz SIEVRLCQUGKNAS-QGZVFWFLSA-N 2 1 316.493 2.953 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714456 296320623 /nfs/dbraw/zinc/32/06/23/296320623.db2.gz RARAVYOFGVOOBV-NCXUSEDFSA-N 2 1 319.468 2.939 20 0 DFADMP C[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@H]1CCC[NH2+]1 ZINC000422724106 296321744 /nfs/dbraw/zinc/32/17/44/296321744.db2.gz ULLVTVUZDQNKPM-KBXCAEBGSA-N 2 1 305.441 2.520 20 0 DFADMP C[C@@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422721608 296321342 /nfs/dbraw/zinc/32/13/42/296321342.db2.gz VURTUSDODBPCSI-AEFFLSMTSA-N 2 1 324.472 2.709 20 0 DFADMP Fc1cc(Br)cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422727716 296322577 /nfs/dbraw/zinc/32/25/77/296322577.db2.gz DELDUDZHGDTLAR-PBWFPOADSA-N 2 1 313.214 2.961 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccc(F)c1 ZINC000422727818 296322603 /nfs/dbraw/zinc/32/26/03/296322603.db2.gz HZBSUTNMYXAPQI-INDMIFKZSA-N 2 1 319.468 2.939 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@@]2(O)CCSC2)cc1 ZINC000268986476 207144849 /nfs/dbraw/zinc/14/48/49/207144849.db2.gz QGHLWNVGJIOHPQ-GUYCJALGSA-N 2 1 317.458 2.699 20 0 DFADMP CSCC[C@@H](C)[N@@H+](C)C[C@@H](O)CN(C)Cc1ccccc1 ZINC000610988886 399425027 /nfs/dbraw/zinc/42/50/27/399425027.db2.gz USLZFQXRWWFTJQ-WBVHZDCISA-N 2 1 310.507 2.553 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268995770 207154040 /nfs/dbraw/zinc/15/40/40/207154040.db2.gz KNJPWHQLMCOFQJ-CVEARBPZSA-N 2 1 307.482 2.618 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422732419 296323492 /nfs/dbraw/zinc/32/34/92/296323492.db2.gz PULIBTGBJWZEKA-HKUYNNGSSA-N 3 1 317.477 2.564 20 0 DFADMP C[N@@H+](Cc1ccccc1CN[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000422732524 296323514 /nfs/dbraw/zinc/32/35/14/296323514.db2.gz OVUPMMPAYCPCIQ-GOSISDBHSA-N 2 1 301.478 2.903 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000623656294 399436432 /nfs/dbraw/zinc/43/64/32/399436432.db2.gz RKOSUVDQEJMMEX-ZDUSSCGKSA-N 2 1 304.463 2.960 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)s2)cn1 ZINC000623656934 399436445 /nfs/dbraw/zinc/43/64/45/399436445.db2.gz FYHDGGYFLDDELZ-CQSZACIVSA-N 2 1 318.490 2.970 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000623656293 399436677 /nfs/dbraw/zinc/43/66/77/399436677.db2.gz RKOSUVDQEJMMEX-CYBMUJFWSA-N 2 1 304.463 2.960 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000623656059 399436773 /nfs/dbraw/zinc/43/67/73/399436773.db2.gz MAHBPNFRVYHDEI-HNNXBMFYSA-N 2 1 306.450 2.834 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCCC[NH+](C)C1 ZINC000623656544 399436934 /nfs/dbraw/zinc/43/69/34/399436934.db2.gz WNKPQWDWXVMHEJ-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCCC[N@H+](C)C1 ZINC000623656544 399436936 /nfs/dbraw/zinc/43/69/36/399436936.db2.gz WNKPQWDWXVMHEJ-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@H]1NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656544 399436939 /nfs/dbraw/zinc/43/69/39/399436939.db2.gz WNKPQWDWXVMHEJ-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000623656544 399436941 /nfs/dbraw/zinc/43/69/41/399436941.db2.gz WNKPQWDWXVMHEJ-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623656544 399436944 /nfs/dbraw/zinc/43/69/44/399436944.db2.gz WNKPQWDWXVMHEJ-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1 ZINC000061637060 184179924 /nfs/dbraw/zinc/17/99/24/184179924.db2.gz JLLBMKYQOOEAKC-UHFFFAOYSA-N 2 1 321.490 2.514 20 0 DFADMP COC(=O)c1csc(C[NH+]2CCC(c3[nH]cc[nH+]3)CC2)c1 ZINC000602454720 399448891 /nfs/dbraw/zinc/44/88/91/399448891.db2.gz SJOXGQIFMJSQJN-UHFFFAOYSA-N 2 1 305.403 2.637 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)[nH]1 ZINC000602502233 399461733 /nfs/dbraw/zinc/46/17/33/399461733.db2.gz KLDYAKYAKDRNBO-AWEZNQCLSA-N 2 1 307.438 2.546 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)[nH]1 ZINC000602502233 399461735 /nfs/dbraw/zinc/46/17/35/399461735.db2.gz KLDYAKYAKDRNBO-AWEZNQCLSA-N 2 1 307.438 2.546 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)cc1 ZINC000269181444 207300762 /nfs/dbraw/zinc/30/07/62/207300762.db2.gz IDNPTSCINUVRJU-QGZVFWFLSA-N 2 1 317.477 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1cccc(F)c1)N(C)C)c1c[nH+]ccc1N ZINC000422736692 296323800 /nfs/dbraw/zinc/32/38/00/296323800.db2.gz WGOGAABVBBWZHV-SJKOYZFVSA-N 2 1 302.397 2.587 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000623823914 399472924 /nfs/dbraw/zinc/47/29/24/399472924.db2.gz OTLXETGDMRSJOS-IZAXUBKRSA-N 2 1 302.462 2.708 20 0 DFADMP COC[C@@H](CCC[NH3+])[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000422745900 296325311 /nfs/dbraw/zinc/32/53/11/296325311.db2.gz NAIQFPOZFJXARL-QFBILLFUSA-N 3 1 319.493 2.556 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[NH2+]C1)Cc1cccc(Br)c1 ZINC000422750559 296326205 /nfs/dbraw/zinc/32/62/05/296326205.db2.gz DGGRFVXYVVKJFO-SWLSCSKDSA-N 2 1 311.267 2.969 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]C2CC[NH+](C3CCCC3)CC2)cc1C ZINC000602567296 399478324 /nfs/dbraw/zinc/47/83/24/399478324.db2.gz JXAPNBHHNBXTIW-UHFFFAOYSA-N 2 1 319.449 2.606 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422769678 296330006 /nfs/dbraw/zinc/33/00/06/296330006.db2.gz VZZTUVLKLGUIAH-ZVZYQTTQSA-N 2 1 305.441 2.915 20 0 DFADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422772779 296330651 /nfs/dbraw/zinc/33/06/51/296330651.db2.gz XSBMFBZFLCRZCA-BZUAXINKSA-N 2 1 324.852 2.595 20 0 DFADMP O=C1[C@@H]([NH2+][C@H]2CCC[NH2+]CC2)CCCN1c1ccccc1Cl ZINC000422782105 296331834 /nfs/dbraw/zinc/33/18/34/296331834.db2.gz MUVIJZGNWHBWRK-ZFWWWQNUSA-N 2 1 321.852 2.567 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000422781641 296332106 /nfs/dbraw/zinc/33/21/06/296332106.db2.gz LZGZOOMMWYASEP-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@H](C)c2c[nH+]ccc2N)c1 ZINC000422793707 296334059 /nfs/dbraw/zinc/33/40/59/296334059.db2.gz SOCRXLGSXWWNAK-CHWSQXEVSA-N 2 1 301.390 2.621 20 0 DFADMP C[C@@H](NCc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[NH2+]C1 ZINC000422796624 296334409 /nfs/dbraw/zinc/33/44/09/296334409.db2.gz YRZAZRKFYCEOHK-VQIMIIECSA-N 2 1 301.478 2.760 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422795853 296334425 /nfs/dbraw/zinc/33/44/25/296334425.db2.gz WVBOIBZYNSRATI-DFNIBXOVSA-N 2 1 301.478 2.901 20 0 DFADMP CC[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422814131 296337885 /nfs/dbraw/zinc/33/78/85/296337885.db2.gz ZQORTVOEWWXQQT-QXAKKESOSA-N 2 1 301.478 2.540 20 0 DFADMP CC[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422814131 296337887 /nfs/dbraw/zinc/33/78/87/296337887.db2.gz ZQORTVOEWWXQQT-QXAKKESOSA-N 2 1 301.478 2.540 20 0 DFADMP CC[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422814129 296337954 /nfs/dbraw/zinc/33/79/54/296337954.db2.gz ZQORTVOEWWXQQT-BHIYHBOVSA-N 2 1 301.478 2.540 20 0 DFADMP CC[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422814129 296337955 /nfs/dbraw/zinc/33/79/55/296337955.db2.gz ZQORTVOEWWXQQT-BHIYHBOVSA-N 2 1 301.478 2.540 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccccc21 ZINC000422814495 296338054 /nfs/dbraw/zinc/33/80/54/296338054.db2.gz VDGXOBSMUNLXHN-RTBURBONSA-N 2 1 319.412 2.561 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841500 399506456 /nfs/dbraw/zinc/50/64/56/399506456.db2.gz LHGJUDZXVRSKEG-KEYYUXOJSA-N 2 1 317.477 2.665 20 0 DFADMP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841500 399506459 /nfs/dbraw/zinc/50/64/59/399506459.db2.gz LHGJUDZXVRSKEG-KEYYUXOJSA-N 2 1 317.477 2.665 20 0 DFADMP CC[C@@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422820718 296339340 /nfs/dbraw/zinc/33/93/40/296339340.db2.gz SAEXSIKRMNNQPT-MSOLQXFVSA-N 2 1 312.461 2.594 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631841945 399506672 /nfs/dbraw/zinc/50/66/72/399506672.db2.gz SEFGZJIGHMAUQA-SUMDDJOVSA-N 2 1 323.440 2.893 20 0 DFADMP C[C@@H]1C[N@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)C[C@H]1C[NH3+] ZINC000631841945 399506676 /nfs/dbraw/zinc/50/66/76/399506676.db2.gz SEFGZJIGHMAUQA-SUMDDJOVSA-N 2 1 323.440 2.893 20 0 DFADMP CC[C@H](NCC[N@@H+](C)Cc1ccc(F)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422820901 296339233 /nfs/dbraw/zinc/33/92/33/296339233.db2.gz SVKCMCRPSIUDTK-ROUUACIJSA-N 2 1 307.457 2.768 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccccc2Cn2cncn2)c2ccccc21 ZINC000422824063 296339736 /nfs/dbraw/zinc/33/97/36/296339736.db2.gz GCIFYSVYOIYVEU-RBUKOAKNSA-N 2 1 319.412 2.561 20 0 DFADMP C[C@@H](CCNC1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000422825217 296340037 /nfs/dbraw/zinc/34/00/37/296340037.db2.gz PIWVDJQFMOQAAV-UBLGTCEWSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@H+](C)Cc1ccccc1 ZINC000422825217 296340039 /nfs/dbraw/zinc/34/00/39/296340039.db2.gz PIWVDJQFMOQAAV-UBLGTCEWSA-N 3 1 301.478 2.770 20 0 DFADMP C[C@@H](CC[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[N@@H+](C)Cc1ccccc1 ZINC000422825217 296340040 /nfs/dbraw/zinc/34/00/40/296340040.db2.gz PIWVDJQFMOQAAV-UBLGTCEWSA-N 3 1 301.478 2.770 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422831130 296341148 /nfs/dbraw/zinc/34/11/48/296341148.db2.gz WHXKTNCGLXDCER-HOCLYGCPSA-N 2 1 318.461 2.856 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000422832444 296341316 /nfs/dbraw/zinc/34/13/16/296341316.db2.gz VBPDDGDJQSJVOV-IRXDYDNUSA-N 2 1 306.413 2.995 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422833769 296341726 /nfs/dbraw/zinc/34/17/26/296341726.db2.gz WNZQQVZVJJYQJG-FHWLQOOXSA-N 2 1 301.478 2.849 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000422836182 296341977 /nfs/dbraw/zinc/34/19/77/296341977.db2.gz JKXVQIVCBTXOCT-ZOBUZTSGSA-N 2 1 307.507 2.677 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422836182 296341978 /nfs/dbraw/zinc/34/19/78/296341978.db2.gz JKXVQIVCBTXOCT-ZOBUZTSGSA-N 2 1 307.507 2.677 20 0 DFADMP COCCOCCCC[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422845583 296343787 /nfs/dbraw/zinc/34/37/87/296343787.db2.gz CJHWXVPDQLDMFS-ZWKOTPCHSA-N 2 1 306.450 2.513 20 0 DFADMP C[C@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1c[nH+]ccc1N ZINC000422853276 296345253 /nfs/dbraw/zinc/34/52/53/296345253.db2.gz YTYFIQLCKHVNBE-HNNXBMFYSA-N 2 1 311.429 2.893 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422853432 296345324 /nfs/dbraw/zinc/34/53/24/296345324.db2.gz BTTGEPYYHFLQAN-JKSUJKDBSA-N 3 1 301.478 2.759 20 0 DFADMP C[C@@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422853432 296345325 /nfs/dbraw/zinc/34/53/25/296345325.db2.gz BTTGEPYYHFLQAN-JKSUJKDBSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422853432 296345326 /nfs/dbraw/zinc/34/53/26/296345326.db2.gz BTTGEPYYHFLQAN-JKSUJKDBSA-N 2 1 301.478 2.759 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422858782 296345772 /nfs/dbraw/zinc/34/57/72/296345772.db2.gz JGDMZILVDLPLCN-MOPGFXCFSA-N 2 1 312.413 2.946 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(C[NH2+]C2CC[NH2+]CC2)cc1 ZINC000422859974 296346047 /nfs/dbraw/zinc/34/60/47/296346047.db2.gz KUNQHHJNMQAMHY-MRXNPFEDSA-N 3 1 301.478 2.903 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000422859974 296346048 /nfs/dbraw/zinc/34/60/48/296346048.db2.gz KUNQHHJNMQAMHY-MRXNPFEDSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC2CC[NH2+]CC2)cc1 ZINC000422859974 296346049 /nfs/dbraw/zinc/34/60/49/296346049.db2.gz KUNQHHJNMQAMHY-MRXNPFEDSA-N 2 1 301.478 2.903 20 0 DFADMP CCOc1cccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000422873160 296348190 /nfs/dbraw/zinc/34/81/90/296348190.db2.gz KHVSFDKXHFJRFK-NEPJUHHUSA-N 2 1 314.376 2.774 20 0 DFADMP Cc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)c(OCC(F)(F)F)c1 ZINC000422866764 296347233 /nfs/dbraw/zinc/34/72/33/296347233.db2.gz QZSXODZCBMNBRG-NSHDSACASA-N 2 1 302.340 2.634 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ccccc2OC)C1)[C@@H]1CCCC[NH2+]1 ZINC000422879626 296349319 /nfs/dbraw/zinc/34/93/19/296349319.db2.gz VRPUDQXEMKQGRU-ULQDDVLXSA-N 2 1 317.477 2.784 20 0 DFADMP Clc1ccccc1C[NH+]1CCC(CN[C@@H]2CC[NH2+]C2)CC1 ZINC000422882239 296349923 /nfs/dbraw/zinc/34/99/23/296349923.db2.gz RPPGZYKDYYQYJY-MRXNPFEDSA-N 2 1 307.869 2.504 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422880772 296349681 /nfs/dbraw/zinc/34/96/81/296349681.db2.gz MRYWXTZJKUQYRK-HOTGVXAUSA-N 3 1 301.478 2.759 20 0 DFADMP C[C@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422880772 296349683 /nfs/dbraw/zinc/34/96/83/296349683.db2.gz MRYWXTZJKUQYRK-HOTGVXAUSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422880772 296349685 /nfs/dbraw/zinc/34/96/85/296349685.db2.gz MRYWXTZJKUQYRK-HOTGVXAUSA-N 2 1 301.478 2.759 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(C(=O)C2CCCCC2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422888871 296351312 /nfs/dbraw/zinc/35/13/12/296351312.db2.gz OEYALVACLPCKBF-SQNIBIBYSA-N 2 1 321.509 2.678 20 0 DFADMP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000422891623 296351515 /nfs/dbraw/zinc/35/15/15/296351515.db2.gz KYCQIACCRMKRJH-JCGIZDLHSA-N 2 1 317.477 2.965 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1F ZINC000422899528 296352906 /nfs/dbraw/zinc/35/29/06/296352906.db2.gz HOEUSIHRNSZPDQ-UHFFFAOYSA-N 3 1 316.424 2.927 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422902726 296353390 /nfs/dbraw/zinc/35/33/90/296353390.db2.gz VEHVZEKNTQKYSW-DLBZAZTESA-N 2 1 302.466 2.822 20 0 DFADMP COCCOc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)c1 ZINC000422893653 296351843 /nfs/dbraw/zinc/35/18/43/296351843.db2.gz AMIIZVTUQHHVGC-OALUTQOASA-N 2 1 312.413 2.946 20 0 DFADMP CC[C@@H](C)NC(=O)c1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)c1 ZINC000422893206 296351863 /nfs/dbraw/zinc/35/18/63/296351863.db2.gz PKDJSJLCFHDMJF-DTWYCDNDSA-N 2 1 315.461 2.588 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCOC3CCOCC3)CC[NH2+]2)cc1 ZINC000422914969 296355222 /nfs/dbraw/zinc/35/52/22/296355222.db2.gz ACISZGXHAXYDSN-HKUYNNGSSA-N 2 1 318.461 2.655 20 0 DFADMP CSC1(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CCOCC1 ZINC000422924280 296356127 /nfs/dbraw/zinc/35/61/27/296356127.db2.gz UCSIUAVXZAXXML-IRXDYDNUSA-N 2 1 320.502 2.982 20 0 DFADMP C[C@@H]([NH2+]CCc1cc(Cl)c2c(c1)OCCO2)[C@@H]1CCCC[NH2+]1 ZINC000422929283 296356635 /nfs/dbraw/zinc/35/66/35/296356635.db2.gz PCKIIPBODKFTAA-DOMZBBRYSA-N 2 1 324.852 2.774 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931728 296357350 /nfs/dbraw/zinc/35/73/50/296357350.db2.gz CQZBBYACYFVFCG-IINYFYTJSA-N 2 1 315.230 2.718 20 0 DFADMP CCCCNC(=O)c1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422946663 296359326 /nfs/dbraw/zinc/35/93/26/296359326.db2.gz XAEYGXJHOXKWEQ-MSOLQXFVSA-N 2 1 317.477 2.966 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887490 399519872 /nfs/dbraw/zinc/51/98/72/399519872.db2.gz SBOIMDVNQYFADT-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCOc1ccc(F)c(F)c1 ZINC000422958824 296360960 /nfs/dbraw/zinc/36/09/60/296360960.db2.gz QCAPOBURMJBOFF-ACJLOTCBSA-N 2 1 320.383 2.892 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000422966204 296362159 /nfs/dbraw/zinc/36/21/59/296362159.db2.gz QZGXQUKNFLUJQY-IKGGRYGDSA-N 2 1 305.466 2.784 20 0 DFADMP CC[C@H](NC[C@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422965755 296362165 /nfs/dbraw/zinc/36/21/65/296362165.db2.gz POQAFUOMKLLNEE-YESZJQIVSA-N 2 1 305.466 2.927 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000422967342 296362648 /nfs/dbraw/zinc/36/26/48/296362648.db2.gz OYFJUNUJJDJKDQ-KBAYOESNSA-N 2 1 304.478 2.909 20 0 DFADMP CCC(CC)[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)N(C)C ZINC000422968600 296362680 /nfs/dbraw/zinc/36/26/80/296362680.db2.gz XGSFSLLCJDHNTE-SCLBCKFNSA-N 2 1 306.498 2.866 20 0 DFADMP COCCOc1ncccc1C[NH2+][C@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422970094 296362873 /nfs/dbraw/zinc/36/28/73/296362873.db2.gz FJJGSYMLRPHOEX-WBVHZDCISA-N 2 1 321.465 2.507 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422969736 296362988 /nfs/dbraw/zinc/36/29/88/296362988.db2.gz DLYCRJCFJCULLW-CYBMUJFWSA-N 2 1 314.433 2.883 20 0 DFADMP CCN(CC)[C@@H](C[NH2+][C@H](C)c1c[nH+]ccc1N)c1ccco1 ZINC000422971569 296363114 /nfs/dbraw/zinc/36/31/14/296363114.db2.gz JECAMYCRMFJQOS-CJNGLKHVSA-N 2 1 302.422 2.821 20 0 DFADMP C[C@@H](NCc1ccccc1C[NH+]1CCC(C)CC1)C1C[NH2+]C1 ZINC000422965392 296362171 /nfs/dbraw/zinc/36/21/71/296362171.db2.gz LBFLJMCKJKVSOX-MRXNPFEDSA-N 2 1 301.478 2.616 20 0 DFADMP CC[C@@H](NC[C@@H](c1ccco1)[NH+]1CCCCC1)[C@@H]1CCC[NH2+]1 ZINC000422965752 296362333 /nfs/dbraw/zinc/36/23/33/296362333.db2.gz POQAFUOMKLLNEE-IKGGRYGDSA-N 2 1 305.466 2.927 20 0 DFADMP COc1ccc([C@H](NCCC[N@@H+](C)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422968544 296362434 /nfs/dbraw/zinc/36/24/34/296362434.db2.gz WXNYVVQBOSNZKW-MOPGFXCFSA-N 2 1 319.493 2.808 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000422987759 296364186 /nfs/dbraw/zinc/36/41/86/296364186.db2.gz HJSDTIHRQFLRLN-BVBHFADKSA-N 2 1 301.478 2.798 20 0 DFADMP COc1ccc([C@@H]([NH2+]CC(C)(C)CCCO)[C@H]2CCC[NH2+]2)cc1 ZINC000422984740 296364249 /nfs/dbraw/zinc/36/42/49/296364249.db2.gz BIXIDMWIJKEEEY-QZTJIDSGSA-N 2 1 320.477 2.877 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422972363 296363434 /nfs/dbraw/zinc/36/34/34/296363434.db2.gz LFVBOWNFPSVGEP-YESZJQIVSA-N 2 1 303.450 2.881 20 0 DFADMP COC[C@@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(C)o1 ZINC000423009152 296367078 /nfs/dbraw/zinc/36/70/78/296367078.db2.gz UYGFRWABDIVRPE-XJKSGUPXSA-N 2 1 303.406 2.788 20 0 DFADMP COC[C@H]([NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1ccc(C)o1 ZINC000423009146 296367195 /nfs/dbraw/zinc/36/71/95/296367195.db2.gz UYGFRWABDIVRPE-BBRMVZONSA-N 2 1 303.406 2.788 20 0 DFADMP CC[C@@H]([NH2+]CCNc1cc(OC)cc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000423007479 296366472 /nfs/dbraw/zinc/36/64/72/296366472.db2.gz XUEGRKNOCNKROV-QZTJIDSGSA-N 2 1 321.465 2.626 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000423006775 296366593 /nfs/dbraw/zinc/36/65/93/296366593.db2.gz WIDPQDBNBPTAFX-RAUXBKROSA-N 3 1 315.505 2.875 20 0 DFADMP CC[C@H]([NH2+]CCOCc1cccc(OC)c1)[C@H]1CCCC[NH2+]1 ZINC000423006780 296366830 /nfs/dbraw/zinc/36/68/30/296366830.db2.gz WIKGOFOLLMQBFY-ZWKOTPCHSA-N 2 1 306.450 2.722 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000625378477 399539222 /nfs/dbraw/zinc/53/92/22/399539222.db2.gz ICEHWEJMMSUGCF-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@@H](C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378477 399539226 /nfs/dbraw/zinc/53/92/26/399539226.db2.gz ICEHWEJMMSUGCF-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378477 399539230 /nfs/dbraw/zinc/53/92/30/399539230.db2.gz ICEHWEJMMSUGCF-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CCO[C@@H](C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378477 399539234 /nfs/dbraw/zinc/53/92/34/399539234.db2.gz ICEHWEJMMSUGCF-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000602716961 399536552 /nfs/dbraw/zinc/53/65/52/399536552.db2.gz WGHMOVBPXLLIDD-AWEZNQCLSA-N 2 1 322.474 2.746 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000602716961 399536554 /nfs/dbraw/zinc/53/65/54/399536554.db2.gz WGHMOVBPXLLIDD-AWEZNQCLSA-N 2 1 322.474 2.746 20 0 DFADMP CCO[C@@H](C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000625378477 399539238 /nfs/dbraw/zinc/53/92/38/399539238.db2.gz ICEHWEJMMSUGCF-MJGOQNOKSA-N 2 1 317.477 2.650 20 0 DFADMP CS[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)C(C)(C)C ZINC000423026885 296369266 /nfs/dbraw/zinc/36/92/66/296369266.db2.gz CMCGELAZORKVPV-LJISPDSOSA-N 2 1 300.512 2.511 20 0 DFADMP CC1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000423017928 296368537 /nfs/dbraw/zinc/36/85/37/296368537.db2.gz PXCXWBXEOXKXAP-QRVBRYPASA-N 2 1 314.473 2.538 20 0 DFADMP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423018065 296368658 /nfs/dbraw/zinc/36/86/58/296368658.db2.gz QAZJBXMDPQLVIU-KSZLIROESA-N 2 1 302.462 2.866 20 0 DFADMP C[C@H]([NH2+]CCCc1nc(-c2ccc(F)cc2)no1)[C@@H]1CCC[NH2+]1 ZINC000423031454 296369875 /nfs/dbraw/zinc/36/98/75/296369875.db2.gz KVEMLSGQMZDDPJ-WFASDCNBSA-N 2 1 318.396 2.538 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000620623615 399546244 /nfs/dbraw/zinc/54/62/44/399546244.db2.gz BOTSNAKHNLHZSU-UHFFFAOYSA-N 2 1 305.466 2.598 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423042888 296371452 /nfs/dbraw/zinc/37/14/52/296371452.db2.gz MNLNRPBCRURTDO-XHBSWPGZSA-N 2 1 311.832 2.788 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423046012 296371579 /nfs/dbraw/zinc/37/15/79/296371579.db2.gz DTTRQEDXZMZAFN-GXTWGEPZSA-N 2 1 308.223 2.900 20 0 DFADMP Cc1oc2ccccc2c1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423046528 296371747 /nfs/dbraw/zinc/37/17/47/296371747.db2.gz FMBFDNCCCUIJOC-NXHRZFHOSA-N 2 1 314.429 2.988 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@H](C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423055856 296372851 /nfs/dbraw/zinc/37/28/51/296372851.db2.gz DTGBYKZGJPYTON-COPLHBTASA-N 2 1 317.355 2.628 20 0 DFADMP C[C@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423058027 296373237 /nfs/dbraw/zinc/37/32/37/296373237.db2.gz BJADKNZJXNOOKD-LRDDRELGSA-N 2 1 305.853 2.962 20 0 DFADMP CSCc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000423061054 296373517 /nfs/dbraw/zinc/37/35/17/296373517.db2.gz PXLDQWLPCPLNGA-KURKYZTESA-N 2 1 320.502 2.796 20 0 DFADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423071235 296375044 /nfs/dbraw/zinc/37/50/44/296375044.db2.gz HMIWNLYQIOXWEF-GUDVDZBRSA-N 2 1 300.446 2.811 20 0 DFADMP C[C@H](O)[C@](C)(C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423070903 296375054 /nfs/dbraw/zinc/37/50/54/296375054.db2.gz GXMWWHDANFKZRL-DKKFBQAASA-N 2 1 304.478 2.736 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423067412 296374628 /nfs/dbraw/zinc/37/46/28/296374628.db2.gz ZKSKUMHOKUYAAF-YPMHNXCESA-N 2 1 306.841 2.704 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000624101210 399553846 /nfs/dbraw/zinc/55/38/46/399553846.db2.gz QOFXJAMPHBLNSU-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624101210 399553849 /nfs/dbraw/zinc/55/38/49/399553849.db2.gz QOFXJAMPHBLNSU-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H](NC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624101210 399553855 /nfs/dbraw/zinc/55/38/55/399553855.db2.gz QOFXJAMPHBLNSU-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000624101210 399553860 /nfs/dbraw/zinc/55/38/60/399553860.db2.gz QOFXJAMPHBLNSU-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCCN1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000624101210 399553866 /nfs/dbraw/zinc/55/38/66/399553866.db2.gz QOFXJAMPHBLNSU-BHIYHBOVSA-N 2 1 301.478 2.581 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423081987 296376082 /nfs/dbraw/zinc/37/60/82/296376082.db2.gz CGCJEKFFITZURJ-OTWHNJEPSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@](CO)(C[NH2+][C@@H]1C[C@H]([NH3+])c2ccccc21)Cc1ccccc1 ZINC000423079035 296376149 /nfs/dbraw/zinc/37/61/49/296376149.db2.gz PRWNVFNWQKTMOY-XUVXKRRUSA-N 2 1 310.441 2.962 20 0 DFADMP COc1cc(Br)ccc1[C@@H](C)[NH2+][C@H](C)C1C[NH2+]C1 ZINC000423076610 296375651 /nfs/dbraw/zinc/37/56/51/296375651.db2.gz ZLHRWWTUKURUBD-NXEZZACHSA-N 2 1 313.239 2.716 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)CCC2 ZINC000423087378 296376613 /nfs/dbraw/zinc/37/66/13/296376613.db2.gz PJOYJQYLZXEFAC-OQIJWPOYSA-N 2 1 318.436 2.950 20 0 DFADMP C[C@@H]([NH2+]Cc1ccnc(Oc2ccccc2F)c1)C1C[NH2+]C1 ZINC000423091569 296377014 /nfs/dbraw/zinc/37/70/14/296377014.db2.gz XPIQRUIHNNDXSX-GFCCVEGCSA-N 2 1 301.365 2.711 20 0 DFADMP C[C@H]([NH2+]CCCOc1ccc(C(F)(F)F)cn1)[C@H]1CCC[NH2+]1 ZINC000423082827 296376410 /nfs/dbraw/zinc/37/64/10/296376410.db2.gz XUTOALVHQXHYGK-WCQYABFASA-N 2 1 317.355 2.599 20 0 DFADMP c1ccc([C@H]2C[C@@H]([NH2+]CC3CC[NH+](C4CC4)CC3)CC[NH2+]2)cc1 ZINC000423083754 296376463 /nfs/dbraw/zinc/37/64/63/296376463.db2.gz GTGIWSHEFGPNGI-AZUAARDMSA-N 3 1 313.489 2.944 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624119542 399558987 /nfs/dbraw/zinc/55/89/87/399558987.db2.gz DSWHZQHYTZPDTI-DOTOQJQBSA-N 2 1 320.477 2.956 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121054 399560158 /nfs/dbraw/zinc/56/01/58/399560158.db2.gz MTGIQYVHBLWCGH-CABCVRRESA-N 2 1 315.461 2.954 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000423110804 296379605 /nfs/dbraw/zinc/37/96/05/296379605.db2.gz VFRKHPQBDGURCO-RHSMWYFYSA-N 2 1 305.441 2.904 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccncc1OCC(F)(F)F ZINC000423110895 296379742 /nfs/dbraw/zinc/37/97/42/296379742.db2.gz WDKKFTXMXQHPRH-DGCLKSJQSA-N 2 1 317.355 2.500 20 0 DFADMP c1ccc(C2CC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000423112702 296379941 /nfs/dbraw/zinc/37/99/41/296379941.db2.gz KALUVGFRICYBPB-ATBMWHHMSA-N 2 1 314.473 2.927 20 0 DFADMP C[C@H]([NH2+][C@@H](C)C1C[NH2+]C1)c1ccc(Br)cc1F ZINC000423113356 296380006 /nfs/dbraw/zinc/38/00/06/296380006.db2.gz UEXQTAYJEXYECQ-IUCAKERBSA-N 2 1 301.203 2.847 20 0 DFADMP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc(C(=O)OC)co2)CC1 ZINC000602765931 399562276 /nfs/dbraw/zinc/56/22/76/399562276.db2.gz MUPMXZGYLGLFCZ-CYBMUJFWSA-N 2 1 323.437 2.576 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124154 399562441 /nfs/dbraw/zinc/56/24/41/399562441.db2.gz YPOHPLVPXZGGKJ-STQMWFEESA-N 2 1 303.406 2.916 20 0 DFADMP C[C@@H]([NH2+][C@@H]1c2ccccc2CC12CCOCC2)[C@@H]1CCC[NH2+]1 ZINC000423121152 296380788 /nfs/dbraw/zinc/38/07/88/296380788.db2.gz IAROMUMMZOARHZ-FHLIZLRMSA-N 2 1 300.446 2.811 20 0 DFADMP C[C@@H]([NH2+][C@H]1c2ccccc2CC12CCOCC2)[C@H]1CCC[NH2+]1 ZINC000423121155 296380957 /nfs/dbraw/zinc/38/09/57/296380957.db2.gz IAROMUMMZOARHZ-OLMNPRSZSA-N 2 1 300.446 2.811 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@H](C)[C@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423131880 296382322 /nfs/dbraw/zinc/38/23/22/296382322.db2.gz TVOFSMKCJRLXRM-AYBZRNKSSA-N 2 1 319.493 2.664 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423133771 296382580 /nfs/dbraw/zinc/38/25/80/296382580.db2.gz CWFYCZQFSRZXPC-HOJAQTOUSA-N 2 1 315.505 2.876 20 0 DFADMP CC(C)Cc1ccc([C@@H](C[NH2+]C2CC[NH2+]CC2)N(C)C)cc1 ZINC000423135941 296383141 /nfs/dbraw/zinc/38/31/41/296383141.db2.gz YKRJQJIOTUHBNO-LJQANCHMSA-N 2 1 303.494 2.829 20 0 DFADMP CC(C)Cc1ccc([C@H](C[NH2+][C@H]2CCC[C@H]2[NH3+])N(C)C)cc1 ZINC000423136790 296383147 /nfs/dbraw/zinc/38/31/47/296383147.db2.gz ZLILBXDAUICZMH-QYZOEREBSA-N 2 1 303.494 2.957 20 0 DFADMP C[C@@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@H]1CCC[NH2+]1 ZINC000423140069 296383802 /nfs/dbraw/zinc/38/38/02/296383802.db2.gz XBLMDIAXCPNWOF-CZUORRHYSA-N 2 1 320.506 2.784 20 0 DFADMP CC[N@H+]1C[C@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000347728295 285148327 /nfs/dbraw/zinc/14/83/27/285148327.db2.gz VFOYZVCZKOPSKL-LPHOPBHVSA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@@H+]1C[C@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000347728295 285148329 /nfs/dbraw/zinc/14/83/29/285148329.db2.gz VFOYZVCZKOPSKL-LPHOPBHVSA-N 2 1 301.478 2.712 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccnc2)[C@H](C)C1 ZINC000158506889 197279774 /nfs/dbraw/zinc/27/97/74/197279774.db2.gz YNNIXIZUCIWJEW-RYRKJORJSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccnc2)[C@H](C)C1 ZINC000158506889 197279777 /nfs/dbraw/zinc/27/97/77/197279777.db2.gz YNNIXIZUCIWJEW-RYRKJORJSA-N 2 1 305.466 2.869 20 0 DFADMP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)[C@@H]1C[C@H]1C1CCCCC1 ZINC000423138779 296383479 /nfs/dbraw/zinc/38/34/79/296383479.db2.gz UBIOTLFKFMXEHA-APAFKAMOSA-N 2 1 306.494 2.950 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000617009084 399568943 /nfs/dbraw/zinc/56/89/43/399568943.db2.gz RXLIVBNIKCZMFY-IAGOWNOFSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617009084 399568951 /nfs/dbraw/zinc/56/89/51/399568951.db2.gz RXLIVBNIKCZMFY-IAGOWNOFSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000617009084 399568957 /nfs/dbraw/zinc/56/89/57/399568957.db2.gz RXLIVBNIKCZMFY-IAGOWNOFSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)[C@H]1C ZINC000249277183 296387584 /nfs/dbraw/zinc/38/75/84/296387584.db2.gz DMEQJDDXWOIUEM-RYRKJORJSA-N 2 1 317.477 2.526 20 0 DFADMP FC(F)C1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423169302 296387933 /nfs/dbraw/zinc/38/79/33/296387933.db2.gz IYDJULCUVKMWTL-CLACGNGHSA-N 2 1 302.409 2.557 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCN(c2ccc(F)cc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423179770 296388796 /nfs/dbraw/zinc/38/87/96/296388796.db2.gz KDAAUHFNQOWIHH-SZMVWBNQSA-N 2 1 305.441 2.915 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCCCC2)[C@H]1Oc1ccccc1 ZINC000423181346 296389366 /nfs/dbraw/zinc/38/93/66/296389366.db2.gz OXQADGHNZBMYDT-KZNAEPCWSA-N 2 1 318.461 2.863 20 0 DFADMP c1ccc2c(c1)CC[C@H]([NH2+]CCC[NH2+]Cc1cccnc1)CO2 ZINC000423190694 296390521 /nfs/dbraw/zinc/39/05/21/296390521.db2.gz RLKVDDJGCXCTDO-SFHVURJKSA-N 2 1 311.429 2.545 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)[C@H](C)[C@H]1OC ZINC000423192732 296390684 /nfs/dbraw/zinc/39/06/84/296390684.db2.gz VYLVWKVEDHKMOU-CGTJXYLNSA-N 2 1 319.493 2.991 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](NC3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423194766 296390854 /nfs/dbraw/zinc/39/08/54/296390854.db2.gz YSKOEUXOWTVWRQ-AABGKKOBSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423194766 296390855 /nfs/dbraw/zinc/39/08/55/296390855.db2.gz YSKOEUXOWTVWRQ-AABGKKOBSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@H]3CCC[C@@H]32)cc1 ZINC000423194766 296390857 /nfs/dbraw/zinc/39/08/57/296390857.db2.gz YSKOEUXOWTVWRQ-AABGKKOBSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000157511264 197192817 /nfs/dbraw/zinc/19/28/17/197192817.db2.gz IPCXXAUHPOBUDJ-QGZVFWFLSA-N 2 1 300.450 2.773 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423202074 296392013 /nfs/dbraw/zinc/39/20/13/296392013.db2.gz ALFVMOLAEAORPP-KGLIPLIRSA-N 2 1 320.433 2.731 20 0 DFADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(OCC[NH+](C)C)cc1 ZINC000423212843 296393041 /nfs/dbraw/zinc/39/30/41/296393041.db2.gz KFVXJSGFKNNUPU-QTXGHNMQSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)c1ccc(-n2cncn2)cc1Cl ZINC000423221408 296394046 /nfs/dbraw/zinc/39/40/46/296394046.db2.gz ZTNHFGLDGLXMIN-OLZOCXBDSA-N 2 1 319.840 2.571 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC[C@H](C)[NH3+])c(Br)c1 ZINC000423222312 296394079 /nfs/dbraw/zinc/39/40/79/296394079.db2.gz AOPFOIXPHDWBBB-VHSXEESVSA-N 2 1 301.228 2.846 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000620763820 399586395 /nfs/dbraw/zinc/58/63/95/399586395.db2.gz OJZYCJSZQRABFJ-MRXNPFEDSA-N 2 1 318.465 2.600 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C3)cc1 ZINC000423240286 296395970 /nfs/dbraw/zinc/39/59/70/296395970.db2.gz CAVIZLPWONNQCG-AFYVEPGGSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)C3)cc1 ZINC000423240286 296395972 /nfs/dbraw/zinc/39/59/72/296395972.db2.gz CAVIZLPWONNQCG-AFYVEPGGSA-N 2 1 313.489 2.771 20 0 DFADMP COC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156962651 197152993 /nfs/dbraw/zinc/15/29/93/197152993.db2.gz JJOILZMNCOXNSQ-SJLPKXTDSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000156962651 197152994 /nfs/dbraw/zinc/15/29/94/197152994.db2.gz JJOILZMNCOXNSQ-SJLPKXTDSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156962651 197152996 /nfs/dbraw/zinc/15/29/96/197152996.db2.gz JJOILZMNCOXNSQ-SJLPKXTDSA-N 2 1 318.461 2.925 20 0 DFADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000156962651 197152998 /nfs/dbraw/zinc/15/29/98/197152998.db2.gz JJOILZMNCOXNSQ-SJLPKXTDSA-N 2 1 318.461 2.925 20 0 DFADMP CC(C)C[C@H](CN)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263465 296398214 /nfs/dbraw/zinc/39/82/14/296398214.db2.gz OKSFIMDZFIVOLT-DOTOQJQBSA-N 2 1 307.482 2.651 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263465 296398215 /nfs/dbraw/zinc/39/82/15/296398215.db2.gz OKSFIMDZFIVOLT-DOTOQJQBSA-N 3 1 307.482 2.651 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H](C[NH3+])C3CCCCC3)CC2)n1 ZINC000423260398 296397730 /nfs/dbraw/zinc/39/77/30/296397730.db2.gz HHTVOHKSKHSPGB-UYSNPLJNSA-N 2 1 306.454 2.901 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]([NH3+])C(C)C)cc1 ZINC000423273422 296399470 /nfs/dbraw/zinc/39/94/70/296399470.db2.gz KQHGQNRSCMYTNA-CJNGLKHVSA-N 2 1 306.454 2.850 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423273653 296399526 /nfs/dbraw/zinc/39/95/26/296399526.db2.gz LHGRRGMCOPQSOC-IAGOWNOFSA-N 3 1 303.494 2.527 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000423273651 296399544 /nfs/dbraw/zinc/39/95/44/296399544.db2.gz LHGRRGMCOPQSOC-DLBZAZTESA-N 3 1 303.494 2.527 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000423265416 296398491 /nfs/dbraw/zinc/39/84/91/296398491.db2.gz QYWBCHQLFUASQL-WMLDXEAASA-N 2 1 313.449 2.826 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@@H]([NH3+])C(C)C)ccc1OC(F)F ZINC000423269809 296398901 /nfs/dbraw/zinc/39/89/01/296398901.db2.gz HQCKWXGYHCAOGL-CMPLNLGQSA-N 2 1 302.365 2.931 20 0 DFADMP C[C@H]1CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000629411988 399596388 /nfs/dbraw/zinc/59/63/88/399596388.db2.gz JKSMMBIKINGWRT-FUHWJXTLSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](C)C[NH3+])c1ccccc1I ZINC000423300599 296402421 /nfs/dbraw/zinc/40/24/21/296402421.db2.gz RZKZLHPOLMRHAU-VHSXEESVSA-N 2 1 318.202 2.537 20 0 DFADMP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423307142 296402688 /nfs/dbraw/zinc/40/26/88/296402688.db2.gz VLVMFCCDYAFAHL-GFCCVEGCSA-N 2 1 301.459 2.912 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H]([NH3+])C2CC2)ccc1OC(F)F ZINC000423314414 296403445 /nfs/dbraw/zinc/40/34/45/296403445.db2.gz HBMRULLFPNDXPY-SKDRFNHKSA-N 2 1 300.349 2.685 20 0 DFADMP Fc1ccc([C@@H]([NH2+]CC2=CC[NH2+]CC2)c2cccnc2)c(F)c1 ZINC000423339437 296406345 /nfs/dbraw/zinc/40/63/45/296406345.db2.gz ITGYEECEQIJCIO-SFHVURJKSA-N 2 1 315.367 2.959 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000423349679 296407394 /nfs/dbraw/zinc/40/73/94/296407394.db2.gz WDOFYWGSOWVFKW-SMDDNHRTSA-N 2 1 302.340 2.592 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[NH2+][C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000423381652 296410942 /nfs/dbraw/zinc/41/09/42/296410942.db2.gz OKHMXFJRXXBUDC-FMKPAKJESA-N 2 1 301.434 2.605 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCCc2nn(-c3ccccc3)cc21 ZINC000423395702 296412193 /nfs/dbraw/zinc/41/21/93/296412193.db2.gz NLMNQKOFERUJJX-OLMNPRSZSA-N 2 1 310.445 2.837 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)c1OC ZINC000347911102 285239841 /nfs/dbraw/zinc/23/98/41/285239841.db2.gz KQFAFOHJEUMNFF-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)c1OC ZINC000347911102 285239844 /nfs/dbraw/zinc/23/98/44/285239844.db2.gz KQFAFOHJEUMNFF-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)c1OC ZINC000347911102 285239846 /nfs/dbraw/zinc/23/98/46/285239846.db2.gz KQFAFOHJEUMNFF-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)c2ccccc2)c(C)c1 ZINC000423409819 296413679 /nfs/dbraw/zinc/41/36/79/296413679.db2.gz QTQDGUGMSJPTJR-MISYRCLQSA-N 2 1 310.441 2.563 20 0 DFADMP CCCCOc1ccc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OC ZINC000423443537 296417004 /nfs/dbraw/zinc/41/70/04/296417004.db2.gz VRBLTEYZXHGUIJ-CTNYNGJSSA-N 2 1 304.434 2.743 20 0 DFADMP CCS[C@H](C)c1noc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000602878806 399613604 /nfs/dbraw/zinc/61/36/04/399613604.db2.gz YRKMHSZUQBZVNG-CYBMUJFWSA-N 2 1 324.494 2.801 20 0 DFADMP CCS[C@H](C)c1noc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000602878806 399613607 /nfs/dbraw/zinc/61/36/07/399613607.db2.gz YRKMHSZUQBZVNG-CYBMUJFWSA-N 2 1 324.494 2.801 20 0 DFADMP OCC[N@@H+](CCC1CC[NH2+]CC1)[C@H]1CCCc2ccccc21 ZINC000359214948 285255938 /nfs/dbraw/zinc/25/59/38/285255938.db2.gz HWPROZNFQUOYQH-IBGZPJMESA-N 2 1 302.462 2.748 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423490796 296421665 /nfs/dbraw/zinc/42/16/65/296421665.db2.gz ZEXAJNVBWDSWDP-ZWNOBZJWSA-N 2 1 314.351 2.656 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000289491181 221015403 /nfs/dbraw/zinc/01/54/03/221015403.db2.gz RPMMSCFKNOZLAZ-HXUWFJFHSA-N 2 1 317.521 2.996 20 0 DFADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000289474652 221001619 /nfs/dbraw/zinc/00/16/19/221001619.db2.gz BEQRPMLHLARHRN-QZTJIDSGSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[N@H+]1CC[C@@H](Oc2cccc(Cl)c2)C1 ZINC000629512924 399630331 /nfs/dbraw/zinc/63/03/31/399630331.db2.gz CZOGNTZJCADSGI-IEAZIUSSSA-N 2 1 324.852 2.545 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000294879023 224281445 /nfs/dbraw/zinc/28/14/45/224281445.db2.gz VKFSTEIEUZWLFY-GSEOLPGOSA-N 2 1 316.489 2.895 20 0 DFADMP [NH3+]C1(C[NH2+][C@H](C[C@H]2CCCO2)c2ccc(F)cc2)CCOCC1 ZINC000629519887 399633713 /nfs/dbraw/zinc/63/37/13/399633713.db2.gz IMRUVGJGBRNCHH-IAGOWNOFSA-N 2 1 322.424 2.533 20 0 DFADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3c(Cl)cccc32)CCOCC1 ZINC000629521359 399633939 /nfs/dbraw/zinc/63/39/39/399633939.db2.gz NLPHTFVXDZTRRR-CQSZACIVSA-N 2 1 310.825 2.651 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cc(Br)cs1 ZINC000629521761 399634694 /nfs/dbraw/zinc/63/46/94/399634694.db2.gz TWIPVZYMCBWTKN-VIFPVBQESA-N 2 1 319.268 2.669 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1O ZINC000289827653 221252657 /nfs/dbraw/zinc/25/26/57/221252657.db2.gz QBUBHLBSHWJGNX-STQMWFEESA-N 2 1 303.406 2.893 20 0 DFADMP COC(=O)C1(C[NH2+][C@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000289831315 221256272 /nfs/dbraw/zinc/25/62/72/221256272.db2.gz UKQLYMCHHNOYHR-CYBMUJFWSA-N 2 1 313.401 2.785 20 0 DFADMP COc1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000289891817 221295135 /nfs/dbraw/zinc/29/51/35/221295135.db2.gz WKGRUSZROMFYFJ-XYPWUTKMSA-N 2 1 304.434 2.761 20 0 DFADMP COc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1OC ZINC000289891817 221295138 /nfs/dbraw/zinc/29/51/38/221295138.db2.gz WKGRUSZROMFYFJ-XYPWUTKMSA-N 2 1 304.434 2.761 20 0 DFADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1OC ZINC000289891817 221295142 /nfs/dbraw/zinc/29/51/42/221295142.db2.gz WKGRUSZROMFYFJ-XYPWUTKMSA-N 2 1 304.434 2.761 20 0 DFADMP COc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000289891817 221295146 /nfs/dbraw/zinc/29/51/46/221295146.db2.gz WKGRUSZROMFYFJ-XYPWUTKMSA-N 2 1 304.434 2.761 20 0 DFADMP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]CC2([NH3+])CCOCC2)c1 ZINC000629521666 399635615 /nfs/dbraw/zinc/63/56/15/399635615.db2.gz QTDFEJMEXGBFNW-LBPRGKRZSA-N 2 1 314.376 2.755 20 0 DFADMP Oc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000290015050 221380286 /nfs/dbraw/zinc/38/02/86/221380286.db2.gz USBSBWVGBCOCOQ-LLVKDONJSA-N 2 1 314.351 2.985 20 0 DFADMP Oc1cc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc(C(F)(F)F)c1 ZINC000290015050 221380287 /nfs/dbraw/zinc/38/02/87/221380287.db2.gz USBSBWVGBCOCOQ-LLVKDONJSA-N 2 1 314.351 2.985 20 0 DFADMP CC(C)c1ccc([C@@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000629544626 399642326 /nfs/dbraw/zinc/64/23/26/399642326.db2.gz GDJSDEIKKDYHDR-KDOFPFPSSA-N 2 1 313.449 2.787 20 0 DFADMP FC(F)(F)Oc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000624357918 399653320 /nfs/dbraw/zinc/65/33/20/399653320.db2.gz NRHVPAGUIBKRCS-LBPRGKRZSA-N 2 1 311.307 2.886 20 0 DFADMP CC1(C)[C@@H](c2ccc(F)cc2)CC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000629576363 399654101 /nfs/dbraw/zinc/65/41/01/399654101.db2.gz UIMOQFAMMZKVNX-DLBZAZTESA-N 2 1 318.436 2.915 20 0 DFADMP O[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629581986 399654587 /nfs/dbraw/zinc/65/45/87/399654587.db2.gz LJGGGAGSZZZHSQ-KBRIMQKVSA-N 2 1 308.853 2.837 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@H]1CC=CCC1 ZINC000629596872 399660264 /nfs/dbraw/zinc/66/02/64/399660264.db2.gz BGPJWSABWFARNO-HKUYNNGSSA-N 2 1 302.462 2.815 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@H]1CC=CCC1 ZINC000629596872 399660269 /nfs/dbraw/zinc/66/02/69/399660269.db2.gz BGPJWSABWFARNO-HKUYNNGSSA-N 2 1 302.462 2.815 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617344513 399669617 /nfs/dbraw/zinc/66/96/17/399669617.db2.gz KOFWDKPSGHSBSK-DOTOQJQBSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000617344513 399669619 /nfs/dbraw/zinc/66/96/19/399669619.db2.gz KOFWDKPSGHSBSK-DOTOQJQBSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000617344513 399669621 /nfs/dbraw/zinc/66/96/21/399669621.db2.gz KOFWDKPSGHSBSK-DOTOQJQBSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000629546068 399643901 /nfs/dbraw/zinc/64/39/01/399643901.db2.gz OAXVAQADTYUXQX-ZLDLUXBVSA-N 2 1 311.832 2.788 20 0 DFADMP C[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc2ccccc21 ZINC000629551540 399645351 /nfs/dbraw/zinc/64/53/51/399645351.db2.gz VAESMPXSGGOLOC-PBHICJAKSA-N 2 1 321.428 2.817 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)CCOc1c(Cl)cccc1Cl ZINC000629565313 399652207 /nfs/dbraw/zinc/65/22/07/399652207.db2.gz FNINIYHEDORSEY-UHFFFAOYSA-N 2 1 321.248 2.540 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)CCSc1ccc(Cl)cc1 ZINC000629567464 399652419 /nfs/dbraw/zinc/65/24/19/399652419.db2.gz OPSQUZHJXOVENU-UHFFFAOYSA-N 2 1 302.871 2.600 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(Br)cc1 ZINC000629572064 399652448 /nfs/dbraw/zinc/65/24/48/399652448.db2.gz VKKMRTKNENOKSP-GFCCVEGCSA-N 2 1 315.255 2.678 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000629571766 399652510 /nfs/dbraw/zinc/65/25/10/399652510.db2.gz QFYVHFWDLFQLGM-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ncc(-c2cccc(Cl)c2)o1 ZINC000629571766 399652511 /nfs/dbraw/zinc/65/25/11/399652511.db2.gz QFYVHFWDLFQLGM-UHFFFAOYSA-N 2 1 323.824 2.663 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000632517546 399682413 /nfs/dbraw/zinc/68/24/13/399682413.db2.gz MMPDROXXLJFHOJ-OWLYRPNTSA-N 2 1 317.477 2.524 20 0 DFADMP Cc1noc([C@H](C)N2CC[C@H](CNc3cccc(C)n3)C2)n1 ZINC000624484668 399686562 /nfs/dbraw/zinc/68/65/62/399686562.db2.gz RXZYPBQMWRBHNU-GXTWGEPZSA-N 2 1 301.394 2.576 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(C(F)(F)F)c(C)c1 ZINC000629653783 399676481 /nfs/dbraw/zinc/67/64/81/399676481.db2.gz NQRUYEQDTWJZLK-UHFFFAOYSA-N 2 1 304.356 2.682 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)C[C@@H](C)c1ccc(C(F)(F)F)cc1 ZINC000629654231 399676572 /nfs/dbraw/zinc/67/65/72/399676572.db2.gz OEIMTMUAJQALHR-CYBMUJFWSA-N 2 1 318.383 2.977 20 0 DFADMP C[C@H]1CC(F)(F)CCN1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000625979726 399707792 /nfs/dbraw/zinc/70/77/92/399707792.db2.gz SQMPBXNRFTWNSR-HOCLYGCPSA-N 2 1 312.404 2.599 20 0 DFADMP C[C@H]1CC(F)(F)CC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000625979726 399707795 /nfs/dbraw/zinc/70/77/95/399707795.db2.gz SQMPBXNRFTWNSR-HOCLYGCPSA-N 2 1 312.404 2.599 20 0 DFADMP C[C@H]1CC(F)(F)CC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000625979726 399707799 /nfs/dbraw/zinc/70/77/99/399707799.db2.gz SQMPBXNRFTWNSR-HOCLYGCPSA-N 2 1 312.404 2.599 20 0 DFADMP C[NH+]1CCC(N[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)CC1 ZINC000090168242 542534733 /nfs/dbraw/zinc/53/47/33/542534733.db2.gz ATWULKWATPTUKL-GOSISDBHSA-N 2 1 301.478 2.723 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCOC3(CCCC3)C2)cc1 ZINC000093588856 542553241 /nfs/dbraw/zinc/55/32/41/542553241.db2.gz MJXRAEKWRSVYDP-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000617502597 399718787 /nfs/dbraw/zinc/71/87/87/399718787.db2.gz VOYSDNQAUQXONA-SZMVWBNQSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCC[C@H]1C1CC1 ZINC000617502597 399718792 /nfs/dbraw/zinc/71/87/92/399718792.db2.gz VOYSDNQAUQXONA-SZMVWBNQSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@H](CC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000617503607 399720091 /nfs/dbraw/zinc/72/00/91/399720091.db2.gz QLTHIZGYTJOIIF-SJORKVTESA-N 2 1 319.493 2.568 20 0 DFADMP C[C@H](CC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1ccccc1 ZINC000617503607 399720097 /nfs/dbraw/zinc/72/00/97/399720097.db2.gz QLTHIZGYTJOIIF-SJORKVTESA-N 2 1 319.493 2.568 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2N2CCCC2)[C@H](C)C1 ZINC000119661618 542574013 /nfs/dbraw/zinc/57/40/13/542574013.db2.gz HQNHVOXXLIJUGQ-QAPCUYQASA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2N2CCCC2)[C@H](C)C1 ZINC000119661618 542574016 /nfs/dbraw/zinc/57/40/16/542574016.db2.gz HQNHVOXXLIJUGQ-QAPCUYQASA-N 2 1 316.493 2.810 20 0 DFADMP COC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000368235191 285354309 /nfs/dbraw/zinc/35/43/09/285354309.db2.gz NSRQHBXVQZPWFA-GDAAHCPNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]([NH2+]Cc1ncccc1O)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000348108358 285354346 /nfs/dbraw/zinc/35/43/46/285354346.db2.gz CGXXSTONCWHDOV-NVXWUHKLSA-N 2 1 311.429 2.787 20 0 DFADMP C[C@@H]([NH2+]Cc1ncccc1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348108358 285354350 /nfs/dbraw/zinc/35/43/50/285354350.db2.gz CGXXSTONCWHDOV-NVXWUHKLSA-N 2 1 311.429 2.787 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C(F)F ZINC000358573120 285355817 /nfs/dbraw/zinc/35/58/17/285355817.db2.gz QSQPFBMBAVODFK-YYIAUSFCSA-N 2 1 324.415 2.503 20 0 DFADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)CCO1 ZINC000348113621 285357975 /nfs/dbraw/zinc/35/79/75/285357975.db2.gz RWQWMAWNKOWXFD-KKUMJFAQSA-N 2 1 320.399 2.950 20 0 DFADMP FC(F)(F)[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)CCO1 ZINC000348113621 285357978 /nfs/dbraw/zinc/35/79/78/285357978.db2.gz RWQWMAWNKOWXFD-KKUMJFAQSA-N 2 1 320.399 2.950 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000120973610 195274439 /nfs/dbraw/zinc/27/44/39/195274439.db2.gz QQEALXJJGYGFTQ-MRXNPFEDSA-N 2 1 312.417 2.652 20 0 DFADMP C[N@H+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000120973610 195274441 /nfs/dbraw/zinc/27/44/41/195274441.db2.gz QQEALXJJGYGFTQ-MRXNPFEDSA-N 2 1 312.417 2.652 20 0 DFADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000120973610 195274444 /nfs/dbraw/zinc/27/44/44/195274444.db2.gz QQEALXJJGYGFTQ-MRXNPFEDSA-N 2 1 312.417 2.652 20 0 DFADMP C[NH+](Cc1ccc(Oc2cnccn2)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000120973610 195274447 /nfs/dbraw/zinc/27/44/47/195274447.db2.gz QQEALXJJGYGFTQ-MRXNPFEDSA-N 2 1 312.417 2.652 20 0 DFADMP Clc1cncc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000621260767 399737018 /nfs/dbraw/zinc/73/70/18/399737018.db2.gz OUVDVYAEZAZFDV-UHFFFAOYSA-N 2 1 323.868 2.812 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348126881 285367995 /nfs/dbraw/zinc/36/79/95/285367995.db2.gz QIOWXTZDWFJKON-KGYLQXTDSA-N 2 1 305.344 2.527 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348131042 285370703 /nfs/dbraw/zinc/37/07/03/285370703.db2.gz ZFVZVZOMNHXTPX-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000348131042 285370707 /nfs/dbraw/zinc/37/07/07/285370707.db2.gz ZFVZVZOMNHXTPX-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP CCCN1CC[N@H+](CCCc2cnccc2C)C(C)(C)C1=O ZINC000348169831 285395006 /nfs/dbraw/zinc/39/50/06/285395006.db2.gz CABRDPWVFTWHHL-UHFFFAOYSA-N 2 1 303.450 2.655 20 0 DFADMP CCCN1CC[N@@H+](CCCc2cnccc2C)C(C)(C)C1=O ZINC000348169831 285395009 /nfs/dbraw/zinc/39/50/09/285395009.db2.gz CABRDPWVFTWHHL-UHFFFAOYSA-N 2 1 303.450 2.655 20 0 DFADMP COCCCOc1cccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292826071 533297098 /nfs/dbraw/zinc/29/70/98/533297098.db2.gz QMQYEFAFMRLEHH-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000292826071 533297103 /nfs/dbraw/zinc/29/71/03/533297103.db2.gz QMQYEFAFMRLEHH-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCCOc1cccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000292826071 533297107 /nfs/dbraw/zinc/29/71/07/533297107.db2.gz QMQYEFAFMRLEHH-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCCOc1cccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000292826071 533297113 /nfs/dbraw/zinc/29/71/13/533297113.db2.gz QMQYEFAFMRLEHH-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@@H+](C3CC3)C[C@@H](C)C2)c1C ZINC000296747674 533411363 /nfs/dbraw/zinc/41/13/63/533411363.db2.gz PLRCLNAGMGHCGO-ZDUSSCGKSA-N 2 1 303.450 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@H+](C3CC3)C[C@@H](C)C2)c1C ZINC000296747674 533411369 /nfs/dbraw/zinc/41/13/69/533411369.db2.gz PLRCLNAGMGHCGO-ZDUSSCGKSA-N 2 1 303.450 2.623 20 0 DFADMP C[C@@H](CCCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000294805485 533560273 /nfs/dbraw/zinc/56/02/73/533560273.db2.gz NFZFHZBMOXUXME-INIZCTEOSA-N 2 1 322.468 2.831 20 0 DFADMP CCC[NH+]1CCC(NCCC[N@H+]2CCc3ccccc3C2)CC1 ZINC000122752613 542590492 /nfs/dbraw/zinc/59/04/92/542590492.db2.gz GBIRFTJVVIYIQE-UHFFFAOYSA-N 2 1 315.505 2.899 20 0 DFADMP CCC[NH+]1CCC([NH2+]CCCN2CCc3ccccc3C2)CC1 ZINC000122752613 542590496 /nfs/dbraw/zinc/59/04/96/542590496.db2.gz GBIRFTJVVIYIQE-UHFFFAOYSA-N 2 1 315.505 2.899 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccsc1 ZINC000629948662 399764024 /nfs/dbraw/zinc/76/40/24/399764024.db2.gz LNKIWOWGYZDPCJ-INIZCTEOSA-N 2 1 323.506 2.732 20 0 DFADMP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000621372707 399774757 /nfs/dbraw/zinc/77/47/57/399774757.db2.gz ZXEFJTUIECFIFD-MRXNPFEDSA-N 2 1 303.450 2.692 20 0 DFADMP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000621372707 399774759 /nfs/dbraw/zinc/77/47/59/399774759.db2.gz ZXEFJTUIECFIFD-MRXNPFEDSA-N 2 1 303.450 2.692 20 0 DFADMP CCc1cccc(NC(=O)C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000136302594 542655664 /nfs/dbraw/zinc/65/56/64/542655664.db2.gz PLJMRQCXYRQXNP-UHFFFAOYSA-N 2 1 314.433 2.715 20 0 DFADMP CCc1cccc(NC(=O)C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000136302594 542655669 /nfs/dbraw/zinc/65/56/69/542655669.db2.gz PLJMRQCXYRQXNP-UHFFFAOYSA-N 2 1 314.433 2.715 20 0 DFADMP C[C@@H](C[NH+]1CCCCC1)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000151849966 542670626 /nfs/dbraw/zinc/67/06/26/542670626.db2.gz BZMQTGSHCWEPMC-KRWDZBQOSA-N 2 1 316.493 2.510 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1F ZINC000603517399 399785957 /nfs/dbraw/zinc/78/59/57/399785957.db2.gz UAEIZDUYOQIHLW-MRXNPFEDSA-N 2 1 322.424 2.567 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[C@@H](C)[NH+](C)C)cc1)C(C)C ZINC000617752257 399790050 /nfs/dbraw/zinc/79/00/50/399790050.db2.gz KVOAOYKHFHCNML-MRXNPFEDSA-N 2 1 319.493 2.987 20 0 DFADMP c1ccc2c(c1)CC[NH+](CCCN[C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000166067134 542750026 /nfs/dbraw/zinc/75/00/26/542750026.db2.gz TUWZMEWIARHIFS-WOJBJXKFSA-N 3 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000166067134 542750030 /nfs/dbraw/zinc/75/00/30/542750030.db2.gz TUWZMEWIARHIFS-WOJBJXKFSA-N 3 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCCN[C@@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000166067134 542750033 /nfs/dbraw/zinc/75/00/33/542750033.db2.gz TUWZMEWIARHIFS-WOJBJXKFSA-N 3 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000166067134 542750036 /nfs/dbraw/zinc/75/00/36/542750036.db2.gz TUWZMEWIARHIFS-WOJBJXKFSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+][C@@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000166067134 542750039 /nfs/dbraw/zinc/75/00/39/542750039.db2.gz TUWZMEWIARHIFS-WOJBJXKFSA-N 2 1 313.489 2.651 20 0 DFADMP CC(C)C[C@@H]([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000165996185 542750251 /nfs/dbraw/zinc/75/02/51/542750251.db2.gz NIHPARXKHBWQLZ-QGZVFWFLSA-N 2 1 305.466 2.516 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)c(F)c1 ZINC000166534390 542750959 /nfs/dbraw/zinc/75/09/59/542750959.db2.gz HFIQLQXWMVDLDZ-OWCLPIDISA-N 2 1 321.415 2.760 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166720470 542751250 /nfs/dbraw/zinc/75/12/50/542751250.db2.gz GFCQQTNPFOFRMU-BZUAXINKSA-N 2 1 304.434 2.679 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000181341143 542789490 /nfs/dbraw/zinc/78/94/90/542789490.db2.gz WZIPPMVEHGKFNX-CMPLNLGQSA-N 2 1 318.248 2.840 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000181341143 542789491 /nfs/dbraw/zinc/78/94/91/542789491.db2.gz WZIPPMVEHGKFNX-CMPLNLGQSA-N 2 1 318.248 2.840 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(CC[NH+](C)Cc2ccc(F)cc2)C1 ZINC000181730816 542791138 /nfs/dbraw/zinc/79/11/38/542791138.db2.gz KDCOPXVRMGHOJQ-SFHVURJKSA-N 2 1 321.484 2.921 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(CC[N@H+](C)Cc2ccc(F)cc2)C1 ZINC000181730816 542791140 /nfs/dbraw/zinc/79/11/40/542791140.db2.gz KDCOPXVRMGHOJQ-SFHVURJKSA-N 2 1 321.484 2.921 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(CC[N@@H+](C)Cc2ccc(F)cc2)C1 ZINC000181730816 542791141 /nfs/dbraw/zinc/79/11/41/542791141.db2.gz KDCOPXVRMGHOJQ-SFHVURJKSA-N 2 1 321.484 2.921 20 0 DFADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000192935147 542855014 /nfs/dbraw/zinc/85/50/14/542855014.db2.gz AQZHABMFSMPJKR-QGZVFWFLSA-N 2 1 312.461 2.594 20 0 DFADMP CCc1nn(C)cc1C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192935147 542855018 /nfs/dbraw/zinc/85/50/18/542855018.db2.gz AQZHABMFSMPJKR-QGZVFWFLSA-N 2 1 312.461 2.594 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC(C)(C)[NH3+])cc2)C1 ZINC000237553351 542903918 /nfs/dbraw/zinc/90/39/18/542903918.db2.gz LOLUAXAJSGKBRN-CQSZACIVSA-N 2 1 303.450 2.984 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+]2CCCC2)o1 ZINC000247135982 542928336 /nfs/dbraw/zinc/92/83/36/542928336.db2.gz XBCXBJWYHXWZIL-SQNIBIBYSA-N 2 1 317.477 2.941 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H](Nc2cc(CC)[nH+]c(C)n2)[C@H](C)C1 ZINC000248451564 542935336 /nfs/dbraw/zinc/93/53/36/542935336.db2.gz YKPAGCRXUGBGLT-RHSMWYFYSA-N 2 1 320.481 2.896 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](Nc2cc(CC)[nH+]c(C)n2)[C@H](C)C1 ZINC000248451564 542935341 /nfs/dbraw/zinc/93/53/41/542935341.db2.gz YKPAGCRXUGBGLT-RHSMWYFYSA-N 2 1 320.481 2.896 20 0 DFADMP CCC[N@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000261629415 542952856 /nfs/dbraw/zinc/95/28/56/542952856.db2.gz BTKCNAWLVDDMAL-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[N@@H+](CC(=O)N1CCC[C@H]2CCCC[C@@H]21)C1CC[NH2+]CC1 ZINC000261629415 542952858 /nfs/dbraw/zinc/95/28/58/542952858.db2.gz BTKCNAWLVDDMAL-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)C2([NH+](C)C)CC2)CC1)CC(C)C ZINC000613245150 399830254 /nfs/dbraw/zinc/83/02/54/399830254.db2.gz FBGLRGFCOCKDQL-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937626 542974778 /nfs/dbraw/zinc/97/47/78/542974778.db2.gz SFHCTXWUQAZYNR-SJQORLFUSA-N 2 1 300.446 2.807 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000280269217 542987659 /nfs/dbraw/zinc/98/76/59/542987659.db2.gz XUNXTOHIUDBRBZ-KRWDZBQOSA-N 2 1 316.445 2.908 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000289780843 543009565 /nfs/dbraw/zinc/00/95/65/543009565.db2.gz MQOINRZHQGHIPV-NNZMDNLPSA-N 2 1 310.445 2.705 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000289780843 543009568 /nfs/dbraw/zinc/00/95/68/543009568.db2.gz MQOINRZHQGHIPV-NNZMDNLPSA-N 2 1 310.445 2.705 20 0 DFADMP CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](CC)C1 ZINC000617928288 399838067 /nfs/dbraw/zinc/83/80/67/399838067.db2.gz MVZIYMYNEHGLQH-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CC)C1 ZINC000617928288 399838070 /nfs/dbraw/zinc/83/80/70/399838070.db2.gz MVZIYMYNEHGLQH-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCN(C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](CC)C1 ZINC000617928288 399838073 /nfs/dbraw/zinc/83/80/73/399838073.db2.gz MVZIYMYNEHGLQH-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309822538 543066155 /nfs/dbraw/zinc/06/61/55/543066155.db2.gz ZZNRCESRVFVUHT-HAGHYFMRSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309822538 543066157 /nfs/dbraw/zinc/06/61/57/543066157.db2.gz ZZNRCESRVFVUHT-HAGHYFMRSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@H]4CCC[NH2+]CC4)[C@@H]3C2)cc1 ZINC000309822538 543066158 /nfs/dbraw/zinc/06/61/58/543066158.db2.gz ZZNRCESRVFVUHT-HAGHYFMRSA-N 2 1 313.489 2.629 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000320339288 543081847 /nfs/dbraw/zinc/08/18/47/543081847.db2.gz JGRAFEPUIMDWAK-IBGZPJMESA-N 2 1 304.478 2.642 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000320339288 543081850 /nfs/dbraw/zinc/08/18/50/543081850.db2.gz JGRAFEPUIMDWAK-IBGZPJMESA-N 2 1 304.478 2.642 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000321352632 543085541 /nfs/dbraw/zinc/08/55/41/543085541.db2.gz YHCLDQOGHLHERD-VQIMIIECSA-N 2 1 318.461 2.928 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000339272326 543142791 /nfs/dbraw/zinc/14/27/91/543142791.db2.gz FRBKUMPXOUNRMH-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCC[NH+](C2CCCC2)CC1 ZINC000339280674 543143400 /nfs/dbraw/zinc/14/34/00/543143400.db2.gz GYOZVJXJINZGLY-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000339280674 543143402 /nfs/dbraw/zinc/14/34/02/543143402.db2.gz GYOZVJXJINZGLY-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@H]1CCCC[NH+]1CCC(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000339280674 543143404 /nfs/dbraw/zinc/14/34/04/543143404.db2.gz GYOZVJXJINZGLY-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@H](COc1ccc(F)cc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339076105 543139339 /nfs/dbraw/zinc/13/93/39/543139339.db2.gz SDVYKOSOGNAZHB-YUELXQCFSA-N 2 1 310.388 2.949 20 0 DFADMP c1ccc(C2(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339074991 543139480 /nfs/dbraw/zinc/13/94/80/543139480.db2.gz OLPATJPZOGZTAC-MOPGFXCFSA-N 2 1 314.473 2.951 20 0 DFADMP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000339067815 543139592 /nfs/dbraw/zinc/13/95/92/543139592.db2.gz JCWNPZDTDJIYRH-SOUVJXGZSA-N 2 1 321.415 2.760 20 0 DFADMP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000339073800 543139868 /nfs/dbraw/zinc/13/98/68/543139868.db2.gz FHLCNCKSJPJQCC-HHXXYDBFSA-N 2 1 317.452 2.868 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348081054 543182962 /nfs/dbraw/zinc/18/29/62/543182962.db2.gz HXWBSKQTULKZPS-UXHICEINSA-N 2 1 313.489 2.712 20 0 DFADMP CO[C@]1(C)CCC[NH+]([C@@H](C)CC[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247793 543184008 /nfs/dbraw/zinc/18/40/08/543184008.db2.gz WOXPYJCOCNZRFP-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC[C@H](C)[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247793 543184011 /nfs/dbraw/zinc/18/40/11/543184011.db2.gz WOXPYJCOCNZRFP-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC[C@H](C)[N@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348247793 543184013 /nfs/dbraw/zinc/18/40/13/543184013.db2.gz WOXPYJCOCNZRFP-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP OC[C@@H]1CCC[N@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CC1 ZINC000348386956 543185490 /nfs/dbraw/zinc/18/54/90/543185490.db2.gz XSDSOVRKKQPZPV-ZCNNSNEGSA-N 2 1 314.473 2.922 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1 ZINC000353676225 543237601 /nfs/dbraw/zinc/23/76/01/543237601.db2.gz WCGTVOYODJAQSU-QYZOEREBSA-N 2 1 302.462 2.777 20 0 DFADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000361154840 543280202 /nfs/dbraw/zinc/28/02/02/543280202.db2.gz QWDVAUAIQPOBPC-JENIJYKNSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CC)C[C@H](C)N[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000361154842 543280274 /nfs/dbraw/zinc/28/02/74/543280274.db2.gz QWDVAUAIQPOBPC-ZIFCJYIRSA-N 2 1 318.509 2.612 20 0 DFADMP COC1(C[C@H](C)[NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCC1 ZINC000368465582 292125402 /nfs/dbraw/zinc/12/54/02/292125402.db2.gz MALZRYQPTOCXLE-KRWDZBQOSA-N 2 1 324.509 2.959 20 0 DFADMP O[C@H]1CCC[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000378881132 543296979 /nfs/dbraw/zinc/29/69/79/543296979.db2.gz GVBDJWROHNUQPF-OALUTQOASA-N 2 1 302.462 2.587 20 0 DFADMP C[C@H](CCNC(=O)CCC(C)(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000379673656 543297506 /nfs/dbraw/zinc/29/75/06/543297506.db2.gz RHYQHNPSZYVHOC-OAHLLOKOSA-N 2 1 305.466 2.531 20 0 DFADMP OC1CCC(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000381724743 543298066 /nfs/dbraw/zinc/29/80/66/543298066.db2.gz IHTLQYNSFIQZLZ-UHFFFAOYSA-N 2 1 302.462 2.792 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1C[C@@H]3CCC[C@]3(C[NH3+])C1)O[C@@H](C)C2 ZINC000391819744 543308897 /nfs/dbraw/zinc/30/88/97/543308897.db2.gz GWVYCBPWQTVAAR-AXHNFQJDSA-N 2 1 316.445 2.579 20 0 DFADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@]3(C[NH3+])C1)O[C@@H](C)C2 ZINC000391819744 543308901 /nfs/dbraw/zinc/30/89/01/543308901.db2.gz GWVYCBPWQTVAAR-AXHNFQJDSA-N 2 1 316.445 2.579 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCCOc2ccc(OC)cc2)C1 ZINC000072858111 145190106 /nfs/dbraw/zinc/19/01/06/145190106.db2.gz SVNOPSDNRJZVRK-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCCOc2ccc(OC)cc2)C1 ZINC000072858111 145190108 /nfs/dbraw/zinc/19/01/08/145190108.db2.gz SVNOPSDNRJZVRK-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCCOc2ccc(OC)cc2)C1 ZINC000072858111 145190111 /nfs/dbraw/zinc/19/01/11/145190111.db2.gz SVNOPSDNRJZVRK-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP [NH3+]C1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCCCC1 ZINC000165653391 145231081 /nfs/dbraw/zinc/23/10/81/145231081.db2.gz LUUHERHYGAJAMR-UHFFFAOYSA-N 2 1 321.509 2.763 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCS2)[C@H](C)C1 ZINC000168677065 145243770 /nfs/dbraw/zinc/24/37/70/145243770.db2.gz DOWKVMPGITVFEL-PMPSAXMXSA-N 2 1 300.512 2.609 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cc(C)sc3C)C2)CC1 ZINC000171527263 145269135 /nfs/dbraw/zinc/26/91/35/145269135.db2.gz XYYNFXZNHFUZSO-KRWDZBQOSA-N 2 1 307.507 2.577 20 0 DFADMP Cc1cc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)s1 ZINC000171589240 145271978 /nfs/dbraw/zinc/27/19/78/145271978.db2.gz AXYASNYQGMAXNI-CYBMUJFWSA-N 2 1 310.507 2.890 20 0 DFADMP Cc1cncc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000402806746 543313224 /nfs/dbraw/zinc/31/32/24/543313224.db2.gz CDADULMQMHIYGE-MJGOQNOKSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cncc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n1 ZINC000402806746 543313227 /nfs/dbraw/zinc/31/32/27/543313227.db2.gz CDADULMQMHIYGE-MJGOQNOKSA-N 2 1 324.472 2.970 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H](CN3CCOCC3)C2)cc2c1CCC2 ZINC000172290906 145298480 /nfs/dbraw/zinc/29/84/80/145298480.db2.gz ZREANNHOEATCKX-GOSISDBHSA-N 2 1 314.473 2.720 20 0 DFADMP CCCC[C@@H](CC)CC[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000415103160 543328917 /nfs/dbraw/zinc/32/89/17/543328917.db2.gz CSLJEWPPRJBKDQ-NVXWUHKLSA-N 2 1 307.486 2.980 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)COC)CC2)cs1 ZINC000174077137 145365773 /nfs/dbraw/zinc/36/57/73/145365773.db2.gz HXRUTNOXTZIVQX-ZDUSSCGKSA-N 2 1 311.495 2.542 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)C[C@H]1c1ccccc1 ZINC000417378303 543335352 /nfs/dbraw/zinc/33/53/52/543335352.db2.gz FBULWQUGHVWGBJ-BBWFWOEESA-N 2 1 323.431 2.751 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(CC(F)F)C2)C[C@H]1c1ccccc1 ZINC000417378303 543335353 /nfs/dbraw/zinc/33/53/53/543335353.db2.gz FBULWQUGHVWGBJ-BBWFWOEESA-N 2 1 323.431 2.751 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000174721232 145388774 /nfs/dbraw/zinc/38/87/74/145388774.db2.gz OAWMSBUWOXVCNZ-NBOOPKSLSA-N 2 1 321.509 2.628 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174876110 145393907 /nfs/dbraw/zinc/39/39/07/145393907.db2.gz ICOXIDJUYHWMLA-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174876110 145393909 /nfs/dbraw/zinc/39/39/09/145393909.db2.gz ICOXIDJUYHWMLA-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP C[NH2+]CCOCCNc1cc[nH+]c2c(Br)cccc12 ZINC000630530401 399899037 /nfs/dbraw/zinc/89/90/37/399899037.db2.gz IFCFEKVSVFKDMW-UHFFFAOYSA-N 2 1 324.222 2.645 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)c1 ZINC000631035033 399966198 /nfs/dbraw/zinc/96/61/98/399966198.db2.gz IGFWKIKRXGQGLU-OAHLLOKOSA-N 2 1 303.450 2.999 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)c1 ZINC000631035033 399966199 /nfs/dbraw/zinc/96/61/99/399966199.db2.gz IGFWKIKRXGQGLU-OAHLLOKOSA-N 2 1 303.450 2.999 20 0 DFADMP COc1cc(Cl)c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000631059928 399971560 /nfs/dbraw/zinc/97/15/60/399971560.db2.gz YRCXOGPELDKNTR-LBPRGKRZSA-N 2 1 321.808 2.658 20 0 DFADMP COc1cc(Cl)c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000631059926 399971595 /nfs/dbraw/zinc/97/15/95/399971595.db2.gz YRCXOGPELDKNTR-GFCCVEGCSA-N 2 1 321.808 2.658 20 0 DFADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631062882 399972291 /nfs/dbraw/zinc/97/22/91/399972291.db2.gz CXAPFSKKPXKMQW-MRXNPFEDSA-N 2 1 319.493 2.984 20 0 DFADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631062881 399972321 /nfs/dbraw/zinc/97/23/21/399972321.db2.gz CXAPFSKKPXKMQW-INIZCTEOSA-N 2 1 319.493 2.984 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000631065432 399972996 /nfs/dbraw/zinc/97/29/96/399972996.db2.gz YMNIBNCNZWQICB-CYBMUJFWSA-N 2 1 300.406 2.576 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2ccc(F)c3ccccc23)CC1 ZINC000631065706 399973080 /nfs/dbraw/zinc/97/30/80/399973080.db2.gz VIMOFPUMQGRHTA-UHFFFAOYSA-N 2 1 302.393 2.525 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000631085271 399977463 /nfs/dbraw/zinc/97/74/63/399977463.db2.gz JMSOAOTUDCZKNA-CRAIPNDOSA-N 2 1 311.429 2.930 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000631085274 399977614 /nfs/dbraw/zinc/97/76/14/399977614.db2.gz JMSOAOTUDCZKNA-YJBOKZPZSA-N 2 1 311.429 2.930 20 0 DFADMP CCC1([NH+](C)C)CCN(c2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000631477408 400042053 /nfs/dbraw/zinc/04/20/53/400042053.db2.gz BEDXEAUCYLKDKN-UHFFFAOYSA-N 2 1 317.481 2.778 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000634123468 399985605 /nfs/dbraw/zinc/98/56/05/399985605.db2.gz NOSCMXWSSUXEKD-UHFFFAOYSA-N 2 1 323.525 2.974 20 0 DFADMP Cc1ccc([C@H](C)C[NH+]2CCC([N@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000628165770 399994597 /nfs/dbraw/zinc/99/45/97/399994597.db2.gz LSENEHQLMFOKTO-IAGOWNOFSA-N 2 1 304.478 2.876 20 0 DFADMP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000628167263 399995376 /nfs/dbraw/zinc/99/53/76/399995376.db2.gz INVSSXBRAIBMOS-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP C[C@]1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCCS1 ZINC000628200149 400000162 /nfs/dbraw/zinc/00/01/62/400000162.db2.gz ZQPXTWFJKYITGP-GOSISDBHSA-N 2 1 320.502 2.894 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000631194817 400000295 /nfs/dbraw/zinc/00/02/95/400000295.db2.gz PPXJYVQATKMFPV-SJLPKXTDSA-N 2 1 324.472 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnc2n1CCC2 ZINC000631194817 400000297 /nfs/dbraw/zinc/00/02/97/400000297.db2.gz PPXJYVQATKMFPV-SJLPKXTDSA-N 2 1 324.472 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1cnn2c1CCC2 ZINC000631195283 400001003 /nfs/dbraw/zinc/00/10/03/400001003.db2.gz VGQKDFWGFARKEI-VQIMIIECSA-N 2 1 324.472 2.687 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258871 400014213 /nfs/dbraw/zinc/01/42/13/400014213.db2.gz DIHJJAYGNWGICZ-HSALFYBXSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258871 400014214 /nfs/dbraw/zinc/01/42/14/400014214.db2.gz DIHJJAYGNWGICZ-HSALFYBXSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258871 400014215 /nfs/dbraw/zinc/01/42/15/400014215.db2.gz DIHJJAYGNWGICZ-HSALFYBXSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258871 400014216 /nfs/dbraw/zinc/01/42/16/400014216.db2.gz DIHJJAYGNWGICZ-HSALFYBXSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(CN2CC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000631258871 400014217 /nfs/dbraw/zinc/01/42/17/400014217.db2.gz DIHJJAYGNWGICZ-HSALFYBXSA-N 2 1 313.489 2.786 20 0 DFADMP CC[C@@H](C)[N@@H+](CCO)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000628301568 400016914 /nfs/dbraw/zinc/01/69/14/400016914.db2.gz XWANUNFKPDRQKT-QGZVFWFLSA-N 2 1 320.477 2.754 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000631605775 400057646 /nfs/dbraw/zinc/05/76/46/400057646.db2.gz GYLKLKDRUXXPGY-INIZCTEOSA-N 2 1 302.418 2.760 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1CCC(O)CC1 ZINC000631664944 400064189 /nfs/dbraw/zinc/06/41/89/400064189.db2.gz SPFVCVGTKCFGBF-XMZVIZOASA-N 2 1 302.462 2.648 20 0 DFADMP CC[NH+]1CCC(NC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667166 400064280 /nfs/dbraw/zinc/06/42/80/400064280.db2.gz LQBNNVGIFBKRPB-PKOBYXMFSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667166 400064282 /nfs/dbraw/zinc/06/42/82/400064282.db2.gz LQBNNVGIFBKRPB-PKOBYXMFSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667166 400064283 /nfs/dbraw/zinc/06/42/83/400064283.db2.gz LQBNNVGIFBKRPB-PKOBYXMFSA-N 3 1 315.505 2.828 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NCC2CC[NH+](CCC(C)C)CC2)CC[N@H+]1C ZINC000631668879 400064385 /nfs/dbraw/zinc/06/43/85/400064385.db2.gz FKXKQCAUPNVIMM-ZWKOTPCHSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@@H](O)C(F)(F)F ZINC000631718277 400069703 /nfs/dbraw/zinc/06/97/03/400069703.db2.gz INTKSSGIBNCVCB-PAPYEOQZSA-N 2 1 322.415 2.931 20 0 DFADMP CC(C)[C@H]1CN(C2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000631792920 400075625 /nfs/dbraw/zinc/07/56/25/400075625.db2.gz PLADGKIYJUTEJV-HXUWFJFHSA-N 2 1 315.505 2.923 20 0 DFADMP c1ccc(C[N@@H+](C[C@@H]2CCCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000631823326 400077864 /nfs/dbraw/zinc/07/78/64/400077864.db2.gz BILQCRDWNDWZLF-ROUUACIJSA-N 2 1 303.450 2.595 20 0 DFADMP c1ccc(C[N@H+](C[C@@H]2CCCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000631823326 400077865 /nfs/dbraw/zinc/07/78/65/400077865.db2.gz BILQCRDWNDWZLF-ROUUACIJSA-N 2 1 303.450 2.595 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000631840469 400078935 /nfs/dbraw/zinc/07/89/35/400078935.db2.gz CLHFNLTWWBWSSA-SGMGOOAPSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1ccc(-c2noc([C@H](C)[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)n2)cc1F ZINC000631840469 400078936 /nfs/dbraw/zinc/07/89/36/400078936.db2.gz CLHFNLTWWBWSSA-SGMGOOAPSA-N 2 1 318.396 2.772 20 0 DFADMP [NH3+][C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCCCC2)C1)c1ccccc1 ZINC000237798623 146052604 /nfs/dbraw/zinc/05/26/04/146052604.db2.gz OMWGBLFZGNYVNB-QZTJIDSGSA-N 2 1 315.461 2.553 20 0 DFADMP C[C@H](C(=O)NCc1ccc(C[NH+](C)C)cc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245204111 146063993 /nfs/dbraw/zinc/06/39/93/146063993.db2.gz YUEDSUYLLCLMNJ-OWCLPIDISA-N 2 1 317.477 2.626 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245417234 146067978 /nfs/dbraw/zinc/06/79/78/146067978.db2.gz FVTSRNHLFANXEL-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245417234 146067980 /nfs/dbraw/zinc/06/79/80/146067980.db2.gz FVTSRNHLFANXEL-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2)[C@@H](C)C1 ZINC000245417234 146067982 /nfs/dbraw/zinc/06/79/82/146067982.db2.gz FVTSRNHLFANXEL-WMLDXEAASA-N 2 1 321.440 2.816 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245431064 146071193 /nfs/dbraw/zinc/07/11/93/146071193.db2.gz NWKXCALNYZPIGD-RDJZCZTQSA-N 2 1 303.450 2.677 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245431064 146071194 /nfs/dbraw/zinc/07/11/94/146071194.db2.gz NWKXCALNYZPIGD-RDJZCZTQSA-N 2 1 303.450 2.677 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2)[C@@H](C)C1 ZINC000245431064 146071195 /nfs/dbraw/zinc/07/11/95/146071195.db2.gz NWKXCALNYZPIGD-RDJZCZTQSA-N 2 1 303.450 2.677 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245549350 146082441 /nfs/dbraw/zinc/08/24/41/146082441.db2.gz GLPLAFYKPZIJHY-GVDBMIGSSA-N 2 1 303.450 2.909 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH+]2C)C1)CC(F)(F)F ZINC000245686983 146092722 /nfs/dbraw/zinc/09/27/22/146092722.db2.gz PTNXZBYJELGRMM-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@H]1CC[NH+](CC[C@H]2CCC[N@@H+]2C)C1)CC(F)(F)F ZINC000245686983 146092725 /nfs/dbraw/zinc/09/27/25/146092725.db2.gz PTNXZBYJELGRMM-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP CCN(C[C@H]1CC[NH+](CC[C@H]2CCC[N@H+]2C)C1)CC(F)(F)F ZINC000245686983 146092728 /nfs/dbraw/zinc/09/27/28/146092728.db2.gz PTNXZBYJELGRMM-HUUCEWRRSA-N 2 1 321.431 2.677 20 0 DFADMP COCC[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000246198759 146128881 /nfs/dbraw/zinc/12/88/81/146128881.db2.gz IURAHLYZMCSEFC-ZACQAIPSSA-N 2 1 320.477 2.810 20 0 DFADMP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)C2)c1 ZINC000247075506 146160689 /nfs/dbraw/zinc/16/06/89/146160689.db2.gz QLHMAVREELRQGM-GVDBMIGSSA-N 2 1 317.477 2.594 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000247108094 146161655 /nfs/dbraw/zinc/16/16/55/146161655.db2.gz QWEMRDQDBXJWLD-WBVHZDCISA-N 2 1 320.481 2.690 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000247108094 146161658 /nfs/dbraw/zinc/16/16/58/146161658.db2.gz QWEMRDQDBXJWLD-WBVHZDCISA-N 2 1 320.481 2.690 20 0 DFADMP CCOC(=O)CC[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000249372378 146195261 /nfs/dbraw/zinc/19/52/61/146195261.db2.gz PEEQYMVNRAAWJC-MNZLEMJZSA-N 2 1 318.461 2.686 20 0 DFADMP CC1CC[NH+](CCN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000252692340 146221931 /nfs/dbraw/zinc/22/19/31/146221931.db2.gz BFLLMVVMAHLTGP-PKOBYXMFSA-N 2 1 305.510 2.667 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H](C)[NH3+])cc1Br ZINC000261543286 146237538 /nfs/dbraw/zinc/23/75/38/146237538.db2.gz CTDYBSQEMCFOII-AEJSXWLSSA-N 2 1 301.228 2.844 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000261554903 146239064 /nfs/dbraw/zinc/23/90/64/146239064.db2.gz PHXHXQBYXACWPN-TVQRCGJNSA-N 2 1 301.203 2.676 20 0 DFADMP c1ccc(-c2ccc(C[N@H+]3CC[C@@H](N4CC[NH2+]CC4)C3)cc2)cc1 ZINC000261631138 146249691 /nfs/dbraw/zinc/24/96/91/146249691.db2.gz HHXKLIDXEKVANB-OAQYLSRUSA-N 2 1 321.468 2.833 20 0 DFADMP c1ccc(C[N@H+](C[C@H]2CCSC2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000261650380 146254205 /nfs/dbraw/zinc/25/42/05/146254205.db2.gz BAPWCTISTPUYDP-NVXWUHKLSA-N 2 1 305.491 2.779 20 0 DFADMP NCC[N@@H+](CCc1ccccc1)Cc1ccc(-n2ccnc2)cc1 ZINC000261672523 146257752 /nfs/dbraw/zinc/25/77/52/146257752.db2.gz CETICDHWHAZCAW-UHFFFAOYSA-N 2 1 320.440 2.876 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000261707146 146264276 /nfs/dbraw/zinc/26/42/76/146264276.db2.gz MCIWCHHQZAASJM-CQSZACIVSA-N 2 1 302.340 2.798 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)c1 ZINC000261782214 146275710 /nfs/dbraw/zinc/27/57/10/146275710.db2.gz FNVAOPLGCSACII-MOPGFXCFSA-N 2 1 324.424 2.648 20 0 DFADMP C[C@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000261792985 146277435 /nfs/dbraw/zinc/27/74/35/146277435.db2.gz NRJPNVXYHMAOKT-CQSZACIVSA-N 2 1 302.340 2.798 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000261792985 146277439 /nfs/dbraw/zinc/27/74/39/146277439.db2.gz NRJPNVXYHMAOKT-CQSZACIVSA-N 2 1 302.340 2.798 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261794458 146277922 /nfs/dbraw/zinc/27/79/22/146277922.db2.gz GLUYTXVGEOFDBF-OAHLLOKOSA-N 2 1 316.424 2.631 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3c[nH]nc3-c3ccsc3)C[C@@H]21 ZINC000261797751 146278647 /nfs/dbraw/zinc/27/86/47/146278647.db2.gz GRPWJEHTYYKEAC-BYCMXARLSA-N 2 1 302.447 2.697 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261817038 146281485 /nfs/dbraw/zinc/28/14/85/146281485.db2.gz IBDITNVLLNRCGJ-KFKAGJAMSA-N 2 1 310.445 2.565 20 0 DFADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1Cl ZINC000261920606 146301221 /nfs/dbraw/zinc/30/12/21/146301221.db2.gz HXTGIKVVIUHZKR-UONOGXRCSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+])c1ccccc1Cl ZINC000261920606 146301226 /nfs/dbraw/zinc/30/12/26/146301226.db2.gz HXTGIKVVIUHZKR-UONOGXRCSA-N 2 1 323.868 2.721 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261952412 146308319 /nfs/dbraw/zinc/30/83/19/146308319.db2.gz WPCFHURKDIEXPB-CGTJXYLNSA-N 2 1 316.445 2.847 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261952412 146308320 /nfs/dbraw/zinc/30/83/20/146308320.db2.gz WPCFHURKDIEXPB-CGTJXYLNSA-N 2 1 316.445 2.847 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261952235 146308566 /nfs/dbraw/zinc/30/85/66/146308566.db2.gz OMGRSSCKCSJROX-BVPBIZIASA-N 2 1 306.425 2.676 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnc(N)s2)C1 ZINC000261952088 146308939 /nfs/dbraw/zinc/30/89/39/146308939.db2.gz GDIGYTBPGLBQNR-KGLIPLIRSA-N 2 1 308.495 2.812 20 0 DFADMP Cc1cccc(C)c1CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261970260 146311726 /nfs/dbraw/zinc/31/17/26/146311726.db2.gz QKWNAPBIWKAMOK-OTWHNJEPSA-N 2 1 302.462 2.593 20 0 DFADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261970222 146311931 /nfs/dbraw/zinc/31/19/31/146311931.db2.gz QKKNZHAKUXRVPR-OAGGEKHMSA-N 2 1 324.852 2.595 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000261971488 146313891 /nfs/dbraw/zinc/31/38/91/146313891.db2.gz DJZZTLDBRBREMR-CYBMUJFWSA-N 2 1 314.433 2.718 20 0 DFADMP CSc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261977005 146313989 /nfs/dbraw/zinc/31/39/89/146313989.db2.gz RGVKRJFIVYPNQD-BRWVUGGUSA-N 2 1 320.502 2.964 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261980480 146315112 /nfs/dbraw/zinc/31/51/12/146315112.db2.gz AJRMRYWQNPDWOL-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261980480 146315113 /nfs/dbraw/zinc/31/51/13/146315113.db2.gz AJRMRYWQNPDWOL-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccccc3)no2)CC1 ZINC000262008755 146320705 /nfs/dbraw/zinc/32/07/05/146320705.db2.gz WAZMGUBRFTVBFG-UHFFFAOYSA-N 2 1 300.406 2.558 20 0 DFADMP Clc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)s1 ZINC000262007027 146321100 /nfs/dbraw/zinc/32/11/00/146321100.db2.gz VEPGBCILIRFUFP-MGPQQGTHSA-N 2 1 314.882 2.691 20 0 DFADMP Cc1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262027676 146323365 /nfs/dbraw/zinc/32/33/65/146323365.db2.gz XFLKKGXNYWWJMQ-GVDBMIGSSA-N 2 1 314.429 2.988 20 0 DFADMP CCc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262052663 146327712 /nfs/dbraw/zinc/32/77/12/146327712.db2.gz ZUFMKEONXUTNBE-IPMKNSEASA-N 2 1 302.462 2.538 20 0 DFADMP c1cnc(Oc2ccc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)cc2)cn1 ZINC000262056457 146328749 /nfs/dbraw/zinc/32/87/49/146328749.db2.gz QSCIZIHSDNLKSH-UHFFFAOYSA-N 2 1 324.428 2.844 20 0 DFADMP C[N@@H+](CCOc1ccc(F)cc1Cl)[C@@H]1CCC[NH2+]CC1 ZINC000262094896 146332815 /nfs/dbraw/zinc/33/28/15/146332815.db2.gz HPEWENNVGYZCIW-CYBMUJFWSA-N 2 1 300.805 2.932 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@]1(C)CC[NH2+]C1 ZINC000262101987 146333015 /nfs/dbraw/zinc/33/30/15/146333015.db2.gz VROZUGDFFWCRGV-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc1 ZINC000262111145 146334197 /nfs/dbraw/zinc/33/41/97/146334197.db2.gz JUOYKGRNPJGUPN-JCGIZDLHSA-N 2 1 304.434 2.523 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000262305582 146350168 /nfs/dbraw/zinc/35/01/68/146350168.db2.gz PCFVUOUUMMUAAN-NWANDNLSSA-N 2 1 314.458 2.764 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccccn4)n3)C[C@H]21 ZINC000262305582 146350172 /nfs/dbraw/zinc/35/01/72/146350172.db2.gz PCFVUOUUMMUAAN-NWANDNLSSA-N 2 1 314.458 2.764 20 0 DFADMP C[C@@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+]1CCCC[C@H]1C ZINC000262437185 146360476 /nfs/dbraw/zinc/36/04/76/146360476.db2.gz ULSUREPAFGNAGS-WJPQVJKASA-N 2 1 321.509 2.519 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NCC[N@@H+](C)Cc1ccc(F)cc1 ZINC000354511026 147062296 /nfs/dbraw/zinc/06/22/96/147062296.db2.gz LUWKOQXYTDHHAC-QGZVFWFLSA-N 2 1 323.456 2.540 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354663801 147110114 /nfs/dbraw/zinc/11/01/14/147110114.db2.gz YUGBJNJTPTUSMS-UUIJZJDISA-N 2 1 314.882 2.550 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)[C@@H]1C[C@H]1c1ccc(Cl)s1 ZINC000354663801 147110118 /nfs/dbraw/zinc/11/01/18/147110118.db2.gz YUGBJNJTPTUSMS-UUIJZJDISA-N 2 1 314.882 2.550 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1scnc1C1CC1 ZINC000494941232 543416518 /nfs/dbraw/zinc/41/65/18/543416518.db2.gz USJWCDOBIXSGJZ-KFWWJZLASA-N 2 1 321.490 2.704 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1scnc1C1CC1 ZINC000494941232 543416519 /nfs/dbraw/zinc/41/65/19/543416519.db2.gz USJWCDOBIXSGJZ-KFWWJZLASA-N 2 1 321.490 2.704 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC000354809735 147159458 /nfs/dbraw/zinc/15/94/58/147159458.db2.gz IVSZEMXJSAKLOV-MSOLQXFVSA-N 2 1 323.525 2.734 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000526041098 543428879 /nfs/dbraw/zinc/42/88/79/543428879.db2.gz GNILGZSOPTZGFG-BBRMVZONSA-N 2 1 304.434 2.623 20 0 DFADMP CC[NH+](CC)[C@H](C)CN[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000355330366 147267386 /nfs/dbraw/zinc/26/73/86/147267386.db2.gz CDWZDOMAAYIIQY-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc3c(cc2OC)OCO3)[C@H](C)C1 ZINC000355359640 147283041 /nfs/dbraw/zinc/28/30/41/147283041.db2.gz SDHSMLZFPLIANQ-HIFRSBDPSA-N 2 1 320.433 2.586 20 0 DFADMP COC[C@H](C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094109 543460032 /nfs/dbraw/zinc/46/00/32/543460032.db2.gz BJGTVVOVIZOGFM-WDSOQIARSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094109 543460034 /nfs/dbraw/zinc/46/00/34/543460034.db2.gz BJGTVVOVIZOGFM-WDSOQIARSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094109 543460036 /nfs/dbraw/zinc/46/00/36/543460036.db2.gz BJGTVVOVIZOGFM-WDSOQIARSA-N 2 1 320.477 2.633 20 0 DFADMP COC[C@H](C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000585094109 543460038 /nfs/dbraw/zinc/46/00/38/543460038.db2.gz BJGTVVOVIZOGFM-WDSOQIARSA-N 2 1 320.477 2.633 20 0 DFADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@H]2CCOC2)cc1 ZINC000357840374 148144480 /nfs/dbraw/zinc/14/44/80/148144480.db2.gz KBZGZJKJFFUGDB-RDGPPVDQSA-N 2 1 300.446 2.981 20 0 DFADMP CCOc1cccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425892473 296602856 /nfs/dbraw/zinc/60/28/56/296602856.db2.gz AYFFBMZEPPKBKU-UHFFFAOYSA-N 2 1 315.417 2.830 20 0 DFADMP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000358000069 148206053 /nfs/dbraw/zinc/20/60/53/148206053.db2.gz BISRTLHJTKARRB-MAUKXSAKSA-N 2 1 317.477 2.646 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)C[C@H]2C)c1 ZINC000358067085 148231270 /nfs/dbraw/zinc/23/12/70/148231270.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000358067085 148231273 /nfs/dbraw/zinc/23/12/73/148231273.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000358067085 148231275 /nfs/dbraw/zinc/23/12/75/148231275.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)C[C@H]2C)c1 ZINC000358067085 148231280 /nfs/dbraw/zinc/23/12/80/148231280.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CCN(C)C[C@H]2C)c1 ZINC000358067085 148231281 /nfs/dbraw/zinc/23/12/81/148231281.db2.gz WGZIWECNGXFCAR-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCCC1 ZINC000358092197 148241279 /nfs/dbraw/zinc/24/12/79/148241279.db2.gz GYBQGWFOWJYQLK-MRXNPFEDSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1ccc(-c2cccc(C[NH2+]C[C@]3(O)CC[N@@H+](C)C3)c2)cc1 ZINC000358171510 148270023 /nfs/dbraw/zinc/27/00/23/148270023.db2.gz TZPZGBFMLUMYIX-HXUWFJFHSA-N 2 1 310.441 2.818 20 0 DFADMP Cc1ccc(-c2cccc(C[NH2+]C[C@]3(O)CC[N@H+](C)C3)c2)cc1 ZINC000358171510 148270027 /nfs/dbraw/zinc/27/00/27/148270027.db2.gz TZPZGBFMLUMYIX-HXUWFJFHSA-N 2 1 310.441 2.818 20 0 DFADMP Oc1cccc2c1CC[C@@H]2[NH2+]Cc1cc(C2CC[NH2+]CC2)no1 ZINC000425894363 296603277 /nfs/dbraw/zinc/60/32/77/296603277.db2.gz FYTYJZUCTQFWAY-INIZCTEOSA-N 2 1 313.401 2.624 20 0 DFADMP C[C@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000358265310 148310601 /nfs/dbraw/zinc/31/06/01/148310601.db2.gz ZNNFWIAYOVJXLC-XPTSAGLGSA-N 2 1 321.223 2.850 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000358299638 148320633 /nfs/dbraw/zinc/32/06/33/148320633.db2.gz OGWAMJMLIQKHFR-PRLABOORSA-N 2 1 310.482 2.817 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000358299638 148320637 /nfs/dbraw/zinc/32/06/37/148320637.db2.gz OGWAMJMLIQKHFR-PRLABOORSA-N 2 1 310.482 2.817 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000358504511 148380019 /nfs/dbraw/zinc/38/00/19/148380019.db2.gz GZTYKHHGKVAMEO-UHFFFAOYSA-N 2 1 315.461 2.824 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358504485 148380589 /nfs/dbraw/zinc/38/05/89/148380589.db2.gz GUKYASLAEALMIJ-AWEZNQCLSA-N 2 1 319.424 2.537 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+]CCN4CCC4)[C@H]3C2)cc1 ZINC000358572578 148389403 /nfs/dbraw/zinc/38/94/03/148389403.db2.gz QPHSBMPEPBQUTH-UFYCRDLUSA-N 2 1 313.489 2.582 20 0 DFADMP CO[C@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374677055 286041787 /nfs/dbraw/zinc/04/17/87/286041787.db2.gz IMEOGZDRIYXUNE-ROUUACIJSA-N 2 1 312.498 2.768 20 0 DFADMP CCOc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c(C)c1 ZINC000657449253 543517650 /nfs/dbraw/zinc/51/76/50/543517650.db2.gz SAKSFFDNSBQCQG-QGZVFWFLSA-N 2 1 320.477 2.984 20 0 DFADMP CCOCCC1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)CCCC1 ZINC000262052719 286048947 /nfs/dbraw/zinc/04/89/47/286048947.db2.gz ZVKRCWYVMDDORA-KZNAEPCWSA-N 2 1 324.509 2.720 20 0 DFADMP Cn1nccc1C[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000350562253 286060112 /nfs/dbraw/zinc/06/01/12/286060112.db2.gz ZOKMYZHXVKEDJD-HKUYNNGSSA-N 2 1 312.461 2.592 20 0 DFADMP CCN1CC[C@@H]([NH+]2CCC(CC[N@H+]3CCCC[C@@H]3C)CC2)C1=O ZINC000660006768 543524213 /nfs/dbraw/zinc/52/42/13/543524213.db2.gz UHQIBKXAWHBGRW-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCN1CC[C@@H]([NH+]2CCC(CC[N@H+]3CCCC[C@H]3C)CC2)C1=O ZINC000660006769 543524227 /nfs/dbraw/zinc/52/42/27/543524227.db2.gz UHQIBKXAWHBGRW-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP COC[C@H](C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1)OC ZINC000660007080 543524021 /nfs/dbraw/zinc/52/40/21/543524021.db2.gz YOEVXAHEBHEWEL-WMZOPIPTSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H]1CCN(c2ccccc2F)C1 ZINC000360995258 149002859 /nfs/dbraw/zinc/00/28/59/149002859.db2.gz ICBPTUFAYNCUAN-BFYDXBDKSA-N 2 1 305.441 2.582 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)[C@H](C)C1 ZINC000361010505 149007204 /nfs/dbraw/zinc/00/72/04/149007204.db2.gz PMEHJBANKOIQCW-BPQIPLTHSA-N 2 1 312.498 2.528 20 0 DFADMP Cc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361341914 149090113 /nfs/dbraw/zinc/09/01/13/149090113.db2.gz SEHOTYLZYIJFKT-MRXNPFEDSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2CC(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000361435829 149114658 /nfs/dbraw/zinc/11/46/58/149114658.db2.gz OJIXMBYVGFKTAY-ZTRSQXPZSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2CC(O)C2)CC[N@H+]1Cc1ccccc1 ZINC000361435829 149114660 /nfs/dbraw/zinc/11/46/60/149114660.db2.gz OJIXMBYVGFKTAY-ZTRSQXPZSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000361488389 149128307 /nfs/dbraw/zinc/12/83/07/149128307.db2.gz ZICHJMLRTZYBNL-UWWQBHOKSA-N 2 1 305.441 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000361488389 149128311 /nfs/dbraw/zinc/12/83/11/149128311.db2.gz ZICHJMLRTZYBNL-UWWQBHOKSA-N 2 1 305.441 2.724 20 0 DFADMP CCCCCNC(=O)CN1CCC[C@H]1Cn1ccnc1C(C)C ZINC000361668189 149186174 /nfs/dbraw/zinc/18/61/74/149186174.db2.gz WCLWRDCCZRDFLH-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP CCCCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361668478 149187708 /nfs/dbraw/zinc/18/77/08/149187708.db2.gz ZSVXGZAMIIKEMP-HOTGVXAUSA-N 2 1 320.481 2.776 20 0 DFADMP CCCCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361668478 149187709 /nfs/dbraw/zinc/18/77/09/149187709.db2.gz ZSVXGZAMIIKEMP-HOTGVXAUSA-N 2 1 320.481 2.776 20 0 DFADMP CCC[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000361730167 149203787 /nfs/dbraw/zinc/20/37/87/149203787.db2.gz WQTWKWAJDCGXPT-NHYWBVRUSA-N 2 1 318.396 2.624 20 0 DFADMP COc1ccc([C@H](C)N[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1NC(C)=O ZINC000361748588 149207812 /nfs/dbraw/zinc/20/78/12/149207812.db2.gz BMUAUZQHMRHHSP-XEZPLFJOSA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CCN(C)[C@@H](C)C2)cc1NC(C)=O ZINC000361748588 149207816 /nfs/dbraw/zinc/20/78/16/149207816.db2.gz BMUAUZQHMRHHSP-XEZPLFJOSA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1NC(C)=O ZINC000361748588 149207820 /nfs/dbraw/zinc/20/78/20/149207820.db2.gz BMUAUZQHMRHHSP-XEZPLFJOSA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1NC(C)=O ZINC000361748588 149207822 /nfs/dbraw/zinc/20/78/22/149207822.db2.gz BMUAUZQHMRHHSP-XEZPLFJOSA-N 2 1 319.449 2.787 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770603 149215372 /nfs/dbraw/zinc/21/53/72/149215372.db2.gz VWNUDRUDCJZUNU-XYJFISCASA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000361770603 149215377 /nfs/dbraw/zinc/21/53/77/149215377.db2.gz VWNUDRUDCJZUNU-XYJFISCASA-N 3 1 319.493 2.760 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](OC)C2(C)C)[C@@H](C)C1 ZINC000361928917 149257736 /nfs/dbraw/zinc/25/77/36/149257736.db2.gz XRKCPFWHNOAWFM-NXOAAHMSSA-N 2 1 312.498 2.527 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCn2ccnc2)CC1 ZINC000362395852 149296093 /nfs/dbraw/zinc/29/60/93/149296093.db2.gz KWUOUFOOKJWCHR-LJQANCHMSA-N 2 1 312.461 2.870 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](CCn2ccnc2)CC1 ZINC000362395852 149296094 /nfs/dbraw/zinc/29/60/94/149296094.db2.gz KWUOUFOOKJWCHR-LJQANCHMSA-N 2 1 312.461 2.870 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](CCn2ccnc2)CC1 ZINC000362395852 149296096 /nfs/dbraw/zinc/29/60/96/149296096.db2.gz KWUOUFOOKJWCHR-LJQANCHMSA-N 2 1 312.461 2.870 20 0 DFADMP c1ccc(C[NH+]2CCC3(CC[N@@H+](Cc4ncccn4)C3)CC2)cc1 ZINC000362396329 149296202 /nfs/dbraw/zinc/29/62/02/149296202.db2.gz MZUGKPIJBLLDCJ-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP c1ccc(C[NH+]2CCC3(CC[N@H+](Cc4ncccn4)C3)CC2)cc1 ZINC000362396329 149296204 /nfs/dbraw/zinc/29/62/04/149296204.db2.gz MZUGKPIJBLLDCJ-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP CN(Cc1cnc[nH]1)C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C ZINC000667197034 543564453 /nfs/dbraw/zinc/56/44/53/543564453.db2.gz KBAWHBLYPLCABL-INIZCTEOSA-N 2 1 313.405 2.623 20 0 DFADMP Cc1cccc(N(C)C[C@@H]2CCC[N@H+](C)[C@@H]2c2cnn(C)c2)[nH+]1 ZINC000362682671 149341007 /nfs/dbraw/zinc/34/10/07/149341007.db2.gz FLJQKROVXUSEEO-YJBOKZPZSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cccc(N(C)C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cnn(C)c2)[nH+]1 ZINC000362682671 149341008 /nfs/dbraw/zinc/34/10/08/149341008.db2.gz FLJQKROVXUSEEO-YJBOKZPZSA-N 2 1 313.449 2.643 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000351250571 286117531 /nfs/dbraw/zinc/11/75/31/286117531.db2.gz JRNOZVXMLFZTAJ-CVEARBPZSA-N 2 1 323.506 2.732 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@@H]12 ZINC000351474111 286128820 /nfs/dbraw/zinc/12/88/20/286128820.db2.gz FGQZWNRDXKZQRK-BMGDILEWSA-N 2 1 322.456 2.530 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3nn(-c4ccccc4)c4c3CCC4)C[C@@H]12 ZINC000351474111 286128822 /nfs/dbraw/zinc/12/88/22/286128822.db2.gz FGQZWNRDXKZQRK-BMGDILEWSA-N 2 1 322.456 2.530 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4ccccc4F)o3)C[C@@H]12 ZINC000351473214 286128852 /nfs/dbraw/zinc/12/88/52/286128852.db2.gz CNWFLZYINKQFOO-UXIGCNINSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4ccccc4F)o3)C[C@@H]12 ZINC000351473214 286128854 /nfs/dbraw/zinc/12/88/54/286128854.db2.gz CNWFLZYINKQFOO-UXIGCNINSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]12 ZINC000351473206 286129022 /nfs/dbraw/zinc/12/90/22/286129022.db2.gz CMLNGKFHWINMHD-NWANDNLSSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@@H]12 ZINC000351473206 286129024 /nfs/dbraw/zinc/12/90/24/286129024.db2.gz CMLNGKFHWINMHD-NWANDNLSSA-N 2 1 301.365 2.650 20 0 DFADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000351480448 286131141 /nfs/dbraw/zinc/13/11/41/286131141.db2.gz UXXBNEXJOUIAPQ-IAOVAPTHSA-N 2 1 313.401 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)co2)cc1 ZINC000351480448 286131142 /nfs/dbraw/zinc/13/11/42/286131142.db2.gz UXXBNEXJOUIAPQ-IAOVAPTHSA-N 2 1 313.401 2.519 20 0 DFADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)cc1C ZINC000351481286 286131540 /nfs/dbraw/zinc/13/15/40/286131540.db2.gz XAVMEHGROHHNDV-MOPGFXCFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)cc1C ZINC000351481286 286131541 /nfs/dbraw/zinc/13/15/41/286131541.db2.gz XAVMEHGROHHNDV-MOPGFXCFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1C ZINC000351481286 286131542 /nfs/dbraw/zinc/13/15/42/286131542.db2.gz XAVMEHGROHHNDV-MOPGFXCFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)cc1C ZINC000351481286 286131543 /nfs/dbraw/zinc/13/15/43/286131543.db2.gz XAVMEHGROHHNDV-MOPGFXCFSA-N 2 1 302.462 2.895 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCC(F)(F)F)cc3)C[C@H]12 ZINC000351482083 286131566 /nfs/dbraw/zinc/13/15/66/286131566.db2.gz YRPTZAOEFDLTAL-AEGPPILISA-N 2 1 314.351 2.797 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@H](c2ccccc2)CC1)C1CC1 ZINC000351487691 286133321 /nfs/dbraw/zinc/13/33/21/286133321.db2.gz CIKOICBFUWFFEE-HKUYNNGSSA-N 2 1 302.462 2.711 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@H](c2ccccc2)CC1)C1CC1 ZINC000351487691 286133323 /nfs/dbraw/zinc/13/33/23/286133323.db2.gz CIKOICBFUWFFEE-HKUYNNGSSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1)C1CC1 ZINC000351487691 286133326 /nfs/dbraw/zinc/13/33/26/286133326.db2.gz CIKOICBFUWFFEE-HKUYNNGSSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@H](c2ccccc2)CC1)C1CC1 ZINC000351487691 286133327 /nfs/dbraw/zinc/13/33/27/286133327.db2.gz CIKOICBFUWFFEE-HKUYNNGSSA-N 2 1 302.462 2.711 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@@H]12 ZINC000351488189 286133346 /nfs/dbraw/zinc/13/33/46/286133346.db2.gz DZSMKCVXPUSOQI-KBAYOESNSA-N 2 1 323.440 2.838 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@@H]12 ZINC000351495930 286135728 /nfs/dbraw/zinc/13/57/28/286135728.db2.gz QDWILTGATYCTRV-APHBMKBZSA-N 2 1 301.365 2.650 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]Cc2ccc(C(C)(C)C)s2)CC1 ZINC000351498530 286136332 /nfs/dbraw/zinc/13/63/32/286136332.db2.gz BLYAFNWLJBGEMF-UHFFFAOYSA-N 2 1 310.507 2.982 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000370008142 149869582 /nfs/dbraw/zinc/86/95/82/149869582.db2.gz HCSONFSJIAOXLG-AEFFLSMTSA-N 2 1 315.461 2.604 20 0 DFADMP COCc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371295501 150018324 /nfs/dbraw/zinc/01/83/24/150018324.db2.gz RYTXAXQTEJIXDH-IPMKNSEASA-N 2 1 318.461 2.517 20 0 DFADMP CCOC(=O)[C@H](CC)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329288 150024512 /nfs/dbraw/zinc/02/45/12/150024512.db2.gz GSGLJCZQRIXXMJ-ZBFHGGJFSA-N 2 1 308.466 2.524 20 0 DFADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3CC4CCC3CC4)c2cc1C ZINC000371391163 150037546 /nfs/dbraw/zinc/03/75/46/150037546.db2.gz ARMDBMGEHCCQRP-JCYILVPMSA-N 2 1 313.445 2.888 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371469562 150052342 /nfs/dbraw/zinc/05/23/42/150052342.db2.gz FSYIVARQUJFBGX-RCCFBDPRSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000371469562 150052343 /nfs/dbraw/zinc/05/23/43/150052343.db2.gz FSYIVARQUJFBGX-RCCFBDPRSA-N 2 1 306.425 2.818 20 0 DFADMP COC(=O)CCC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000371547433 150064593 /nfs/dbraw/zinc/06/45/93/150064593.db2.gz UBBOZLQAVOIGJX-LBPRGKRZSA-N 2 1 319.380 2.924 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000371586192 150067719 /nfs/dbraw/zinc/06/77/19/150067719.db2.gz WKBABYLBCDJXHH-HNNXBMFYSA-N 2 1 322.522 2.966 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571690 286157250 /nfs/dbraw/zinc/15/72/50/286157250.db2.gz AVKXVJIWHPXFJX-RBUKOAKNSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H](c1ccccc1)C1CCCC1)C1CC1 ZINC000351571690 286157251 /nfs/dbraw/zinc/15/72/51/286157251.db2.gz AVKXVJIWHPXFJX-RBUKOAKNSA-N 2 1 302.462 2.963 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877202 150107094 /nfs/dbraw/zinc/10/70/94/150107094.db2.gz TXIXNKKAEKXWEY-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP Cc1cnn(CC2CC[NH+](CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000351598157 286164538 /nfs/dbraw/zinc/16/45/38/286164538.db2.gz MZGGHCTZCTUOMA-SFHVURJKSA-N 2 1 304.482 2.778 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCO[C@H](C)C3)sc2C1 ZINC000372352073 150165402 /nfs/dbraw/zinc/16/54/02/150165402.db2.gz WYIJMKUEFMYCSV-ZIAGYGMSSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCO[C@H](C)C3)sc2C1 ZINC000372352073 150165403 /nfs/dbraw/zinc/16/54/03/150165403.db2.gz WYIJMKUEFMYCSV-ZIAGYGMSSA-N 2 1 323.506 2.814 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000351599267 286165143 /nfs/dbraw/zinc/16/51/43/286165143.db2.gz WISHUMDULWFQOW-SJORKVTESA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000351599267 286165144 /nfs/dbraw/zinc/16/51/44/286165144.db2.gz WISHUMDULWFQOW-SJORKVTESA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](CNC(=O)C(C)(C)C)C1 ZINC000351599267 286165146 /nfs/dbraw/zinc/16/51/46/286165146.db2.gz WISHUMDULWFQOW-SJORKVTESA-N 2 1 323.525 2.735 20 0 DFADMP C[N@H+](C[C@@H]1CC12CCN(c1[nH+]cnc3[nH]ccc31)CC2)C1CC1 ZINC000372424626 150171053 /nfs/dbraw/zinc/17/10/53/150171053.db2.gz GONGMFJSVDLALM-ZDUSSCGKSA-N 2 1 311.433 2.659 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CCN(c1[nH+]cnc3[nH]ccc31)CC2)C1CC1 ZINC000372424626 150171056 /nfs/dbraw/zinc/17/10/56/150171056.db2.gz GONGMFJSVDLALM-ZDUSSCGKSA-N 2 1 311.433 2.659 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(C)cc3)C2)[C@@H](C)C1 ZINC000372781927 150184310 /nfs/dbraw/zinc/18/43/10/150184310.db2.gz PMFCNRKJFFFFID-LNLFQRSKSA-N 2 1 301.478 2.894 20 0 DFADMP CCCC[C@@H](C)[NH2+]Cc1c(C)nn(C)c1N1CCC[N@@H+](C)CC1 ZINC000372783629 150184554 /nfs/dbraw/zinc/18/45/54/150184554.db2.gz RIUALMMLEATPHL-OAHLLOKOSA-N 2 1 321.513 2.539 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1C ZINC000373002089 150214888 /nfs/dbraw/zinc/21/48/88/150214888.db2.gz ZLVZTDYGOCYOJX-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](c3nccn3C)C2)cc1F ZINC000373108012 150232888 /nfs/dbraw/zinc/23/28/88/150232888.db2.gz ZAMUOYYLLNKZRG-CQSZACIVSA-N 2 1 303.381 2.947 20 0 DFADMP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCC2)C1)O[C@@H]1CCCCO1 ZINC000373116569 150233374 /nfs/dbraw/zinc/23/33/74/150233374.db2.gz XOHPOTJDJNXPPL-QZTJIDSGSA-N 2 1 310.482 2.728 20 0 DFADMP C(C[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1)O[C@@H]1CCCCO1 ZINC000373116569 150233378 /nfs/dbraw/zinc/23/33/78/150233378.db2.gz XOHPOTJDJNXPPL-QZTJIDSGSA-N 2 1 310.482 2.728 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000373789937 150256924 /nfs/dbraw/zinc/25/69/24/150256924.db2.gz YQUNOEPCGOSUNB-UAGQMJEPSA-N 2 1 318.461 2.938 20 0 DFADMP c1cc(CO[C@@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000373912584 150277355 /nfs/dbraw/zinc/27/73/55/150277355.db2.gz ORZCUZWDVVGRCG-GOSISDBHSA-N 2 1 303.450 2.549 20 0 DFADMP c1cc(CO[C@@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000373912584 150277357 /nfs/dbraw/zinc/27/73/57/150277357.db2.gz ORZCUZWDVVGRCG-GOSISDBHSA-N 2 1 303.450 2.549 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)CCc3ccccc3)C2)CC1 ZINC000374075577 150303626 /nfs/dbraw/zinc/30/36/26/150303626.db2.gz VINSLPWSOZEDQW-IBGZPJMESA-N 2 1 316.489 2.788 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000374169607 150316807 /nfs/dbraw/zinc/31/68/07/150316807.db2.gz DLMWTDYFKGQPFT-KSZLIROESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@H]1O ZINC000374169607 150316808 /nfs/dbraw/zinc/31/68/08/150316808.db2.gz DLMWTDYFKGQPFT-KSZLIROESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000374169609 150317212 /nfs/dbraw/zinc/31/72/12/150317212.db2.gz DLMWTDYFKGQPFT-KZNAEPCWSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000374169609 150317214 /nfs/dbraw/zinc/31/72/14/150317214.db2.gz DLMWTDYFKGQPFT-KZNAEPCWSA-N 2 1 305.466 2.987 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CCC13CCOCC3)C2 ZINC000374320326 150343489 /nfs/dbraw/zinc/34/34/89/150343489.db2.gz HUKGXASLCNCBTP-LJQANCHMSA-N 2 1 314.473 2.984 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CCC13CCOCC3)C2 ZINC000374320326 150343491 /nfs/dbraw/zinc/34/34/91/150343491.db2.gz HUKGXASLCNCBTP-LJQANCHMSA-N 2 1 314.473 2.984 20 0 DFADMP CCCCOC(=O)C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000374317766 150343519 /nfs/dbraw/zinc/34/35/19/150343519.db2.gz NPRYOQJBUKXGSO-HNNXBMFYSA-N 2 1 308.466 2.526 20 0 DFADMP CCCCOC(=O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374317766 150343523 /nfs/dbraw/zinc/34/35/23/150343523.db2.gz NPRYOQJBUKXGSO-HNNXBMFYSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374322239 150343802 /nfs/dbraw/zinc/34/38/02/150343802.db2.gz CLVAKUQSUXLERE-UYAOXDASSA-N 2 1 315.505 2.577 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351710542 286199911 /nfs/dbraw/zinc/19/99/11/286199911.db2.gz DIIUQUYKOAJGCI-VQTJNVASSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351710542 286199912 /nfs/dbraw/zinc/19/99/12/286199912.db2.gz DIIUQUYKOAJGCI-VQTJNVASSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351710542 286199913 /nfs/dbraw/zinc/19/99/13/286199913.db2.gz DIIUQUYKOAJGCI-VQTJNVASSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@H]1CCc1ccccc1)C1CC1 ZINC000351710542 286199915 /nfs/dbraw/zinc/19/99/15/286199915.db2.gz DIIUQUYKOAJGCI-VQTJNVASSA-N 2 1 316.489 2.929 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351859076 286233720 /nfs/dbraw/zinc/23/37/20/286233720.db2.gz ZSUMOXLUXFTNCF-GUTXKFCHSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000351859076 286233721 /nfs/dbraw/zinc/23/37/21/286233721.db2.gz ZSUMOXLUXFTNCF-GUTXKFCHSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@@H]1CC[C@H](c2ccccc2)[N@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352115680 286296214 /nfs/dbraw/zinc/29/62/14/286296214.db2.gz NLYUYNONRPPFLV-AYOQOUSVSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@H](c2ccccc2)[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)C1 ZINC000352115680 286296215 /nfs/dbraw/zinc/29/62/15/286296215.db2.gz NLYUYNONRPPFLV-AYOQOUSVSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@H](c2ccccc2)[NH+](C[C@@H](O)C[N@H+](C)C2CC2)C1 ZINC000352115680 286296219 /nfs/dbraw/zinc/29/62/19/286296219.db2.gz NLYUYNONRPPFLV-AYOQOUSVSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@@H]1CC[C@H](c2ccccc2)[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)C1 ZINC000352115680 286296221 /nfs/dbraw/zinc/29/62/21/286296221.db2.gz NLYUYNONRPPFLV-AYOQOUSVSA-N 2 1 302.462 2.915 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352156323 286307275 /nfs/dbraw/zinc/30/72/75/286307275.db2.gz IYQNENCSXFIAQP-BBWFWOEESA-N 2 1 311.514 2.637 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000261893624 286378268 /nfs/dbraw/zinc/37/82/68/286378268.db2.gz UMNQNOBUWZBHCC-QAPCUYQASA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495234 286388112 /nfs/dbraw/zinc/38/81/12/286388112.db2.gz JTUBCGMMSHXGOZ-WMLDXEAASA-N 2 1 321.440 2.548 20 0 DFADMP C[C@@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCCC[C@@H]1CC[NH3+] ZINC000352495234 286388115 /nfs/dbraw/zinc/38/81/15/286388115.db2.gz JTUBCGMMSHXGOZ-WMLDXEAASA-N 2 1 321.440 2.548 20 0 DFADMP Cc1ccccc1NC(=O)C[N@H+](CCC[NH3+])CC1CCCC1 ZINC000352509498 286392952 /nfs/dbraw/zinc/39/29/52/286392952.db2.gz KXSTWJWBIMANII-UHFFFAOYSA-N 2 1 303.450 2.775 20 0 DFADMP Cc1ccccc1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352509498 286392953 /nfs/dbraw/zinc/39/29/53/286392953.db2.gz KXSTWJWBIMANII-UHFFFAOYSA-N 2 1 303.450 2.775 20 0 DFADMP COCCCOc1cccc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352527106 286398482 /nfs/dbraw/zinc/39/84/82/286398482.db2.gz WKQDPKCVXOWSIX-LJQANCHMSA-N 2 1 318.461 2.677 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000352527106 286398485 /nfs/dbraw/zinc/39/84/85/286398485.db2.gz WKQDPKCVXOWSIX-LJQANCHMSA-N 2 1 318.461 2.677 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)s1 ZINC000352735881 286454456 /nfs/dbraw/zinc/45/44/56/286454456.db2.gz JCXKGOFQWHBJMU-JSGCOSHPSA-N 2 1 311.495 2.888 20 0 DFADMP C[C@@H](CCNCc1ncc(C[NH+](C)C)s1)[NH+]1CCCCC1 ZINC000352736333 286454667 /nfs/dbraw/zinc/45/46/67/286454667.db2.gz LOGRZVDMJFHQQQ-AWEZNQCLSA-N 2 1 310.511 2.559 20 0 DFADMP Cc1csc([C@H](C)C[NH2+]Cc2ncc(C[NH+](C)C)s2)n1 ZINC000352742808 286455940 /nfs/dbraw/zinc/45/59/40/286455940.db2.gz QJMAQEBLKIPECE-SNVBAGLBSA-N 2 1 310.492 2.863 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCc2cc(F)ccc2F)s1 ZINC000352750010 286457520 /nfs/dbraw/zinc/45/75/20/286457520.db2.gz OLARFKICUMLCCP-UHFFFAOYSA-N 2 1 311.401 2.815 20 0 DFADMP CCOCCC1(C[NH2+]Cc2ncc(C[NH+](C)C)s2)CCC1 ZINC000352760495 286460073 /nfs/dbraw/zinc/46/00/73/286460073.db2.gz POADEWLBSIVALJ-UHFFFAOYSA-N 2 1 311.495 2.891 20 0 DFADMP CCC(CC)[C@@H](CNCc1ncc(C[NH+](C)C)s1)[NH+](C)C ZINC000352779190 286465402 /nfs/dbraw/zinc/46/54/02/286465402.db2.gz KJVUUMGTYSYFGU-OAHLLOKOSA-N 2 1 312.527 2.661 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCCC23CCOCC3)s1 ZINC000352859110 286486799 /nfs/dbraw/zinc/48/67/99/286486799.db2.gz QLQPRHIMGYQWLG-CQSZACIVSA-N 2 1 309.479 2.644 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)C1 ZINC000429159612 296733784 /nfs/dbraw/zinc/73/37/84/296733784.db2.gz FRBWQCSFPHDOLX-NOLJZWGESA-N 2 1 323.868 2.529 20 0 DFADMP CC[C@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1(C(=O)OC)CCC1 ZINC000353355570 286621923 /nfs/dbraw/zinc/62/19/23/286621923.db2.gz RTFGMNZGEFIWEE-CVEARBPZSA-N 2 1 310.482 2.818 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)ccc1OC ZINC000246806324 158098723 /nfs/dbraw/zinc/09/87/23/158098723.db2.gz BLJJSPORPVFCQY-GOEBONIOSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[N@@H+](CC)C[C@@H]2C)ccc1OC ZINC000246806324 158098725 /nfs/dbraw/zinc/09/87/25/158098725.db2.gz BLJJSPORPVFCQY-GOEBONIOSA-N 2 1 306.450 2.914 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000246809316 158100335 /nfs/dbraw/zinc/10/03/35/158100335.db2.gz AMYDXYHIALEMNV-IMJJTQAJSA-N 2 1 304.434 2.981 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000247120307 158119015 /nfs/dbraw/zinc/11/90/15/158119015.db2.gz MLHDBDCHMWWXNJ-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000247120307 158119018 /nfs/dbraw/zinc/11/90/18/158119018.db2.gz MLHDBDCHMWWXNJ-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)[C@H](C)C[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000247120307 158119024 /nfs/dbraw/zinc/11/90/24/158119024.db2.gz MLHDBDCHMWWXNJ-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc([S@@](C)=O)cc1 ZINC000247126897 158119703 /nfs/dbraw/zinc/11/97/03/158119703.db2.gz RKNVNTYAVAQOKA-PXIJXODZSA-N 2 1 306.475 2.559 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439919 158136433 /nfs/dbraw/zinc/13/64/33/158136433.db2.gz WOOJYUUHDRWBRY-AEFFLSMTSA-N 2 1 315.461 2.821 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439919 158136435 /nfs/dbraw/zinc/13/64/35/158136435.db2.gz WOOJYUUHDRWBRY-AEFFLSMTSA-N 2 1 315.461 2.821 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439919 158136437 /nfs/dbraw/zinc/13/64/37/158136437.db2.gz WOOJYUUHDRWBRY-AEFFLSMTSA-N 2 1 315.461 2.821 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247970514 158154852 /nfs/dbraw/zinc/15/48/52/158154852.db2.gz HGZYOWSKSBUTLL-MDMSPXHWSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247970514 158154854 /nfs/dbraw/zinc/15/48/54/158154854.db2.gz HGZYOWSKSBUTLL-MDMSPXHWSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247970514 158154857 /nfs/dbraw/zinc/15/48/57/158154857.db2.gz HGZYOWSKSBUTLL-MDMSPXHWSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247970514 158154858 /nfs/dbraw/zinc/15/48/58/158154858.db2.gz HGZYOWSKSBUTLL-MDMSPXHWSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000247995150 158157445 /nfs/dbraw/zinc/15/74/45/158157445.db2.gz JVPHIVISLZFTGN-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000247995150 158157447 /nfs/dbraw/zinc/15/74/47/158157447.db2.gz JVPHIVISLZFTGN-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000247995150 158157449 /nfs/dbraw/zinc/15/74/49/158157449.db2.gz JVPHIVISLZFTGN-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000247995150 158157451 /nfs/dbraw/zinc/15/74/51/158157451.db2.gz JVPHIVISLZFTGN-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000247995150 158157454 /nfs/dbraw/zinc/15/74/54/158157454.db2.gz JVPHIVISLZFTGN-HNBVOPMISA-N 2 1 315.505 2.969 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000248061219 158158264 /nfs/dbraw/zinc/15/82/64/158158264.db2.gz YNNIXIZUCIWJEW-BQFCYCMXSA-N 2 1 305.466 2.869 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cccnc2)[C@@H](C)C1 ZINC000248061219 158158266 /nfs/dbraw/zinc/15/82/66/158158266.db2.gz YNNIXIZUCIWJEW-BQFCYCMXSA-N 2 1 305.466 2.869 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3ccc(Cl)cc3)CC[C@H]21 ZINC000248186212 158165192 /nfs/dbraw/zinc/16/51/92/158165192.db2.gz XJXIOUAMCOOWSS-CZUORRHYSA-N 2 1 321.852 2.695 20 0 DFADMP C[NH+](CCN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)Cc1ccc(F)cc1 ZINC000248543386 158182281 /nfs/dbraw/zinc/18/22/81/158182281.db2.gz DANRBUAGTDNIAP-IEBWSBKVSA-N 2 1 319.468 2.674 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000248755797 158200295 /nfs/dbraw/zinc/20/02/95/158200295.db2.gz CPQVUAQAXFHDLX-OWZKRDHZSA-N 2 1 324.472 2.977 20 0 DFADMP Cc1[nH+]ccc(N(C)CC(C)(C)C[NH+]2CCOCC2)c1Cl ZINC000355099647 158274315 /nfs/dbraw/zinc/27/43/15/158274315.db2.gz RBKCQAACXDMGMK-UHFFFAOYSA-N 2 1 311.857 2.838 20 0 DFADMP C[C@H]1CCC[N@H+](CCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356891698 158319090 /nfs/dbraw/zinc/31/90/90/158319090.db2.gz HCYOFIADCCDFLF-AWEZNQCLSA-N 2 1 321.431 2.725 20 0 DFADMP C[C@H]1CCC[N@@H+](CCNC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000356891698 158319092 /nfs/dbraw/zinc/31/90/92/158319092.db2.gz HCYOFIADCCDFLF-AWEZNQCLSA-N 2 1 321.431 2.725 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCOC1 ZINC000357027086 158351608 /nfs/dbraw/zinc/35/16/08/158351608.db2.gz SBNKQSNGSCQLHJ-QGZVFWFLSA-N 2 1 303.450 2.656 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000357082404 158361160 /nfs/dbraw/zinc/36/11/60/158361160.db2.gz OFGOYTJAROUTOJ-MOPGFXCFSA-N 2 1 323.440 2.702 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@@H]4C[NH2+]C[C@H]4C3)cc2)c1 ZINC000357082404 158361162 /nfs/dbraw/zinc/36/11/62/158361162.db2.gz OFGOYTJAROUTOJ-MOPGFXCFSA-N 2 1 323.440 2.702 20 0 DFADMP CCCCc1noc([C@H](C)[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357086036 158362731 /nfs/dbraw/zinc/36/27/31/158362731.db2.gz RFTVUQPWKJAGRC-DZGCQCFKSA-N 2 1 306.454 2.795 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)C(C)C)CC1)CC1CC1 ZINC000357086548 158362998 /nfs/dbraw/zinc/36/29/98/158362998.db2.gz OVUZTESCGQIUFZ-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358505447 158383132 /nfs/dbraw/zinc/38/31/32/158383132.db2.gz IFBWGAANRDKXNJ-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP Cc1sc2[nH]c([C@H](C)[NH+]3CCC(C[NH3+])CC3)nc(=O)c2c1C ZINC000430646383 296802218 /nfs/dbraw/zinc/80/22/18/296802218.db2.gz PDXYWLTWGUDCOZ-JTQLQIEISA-N 2 1 320.462 2.745 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC([C@@H](C)[NH3+])CC2)c(F)c1 ZINC000430919118 296811954 /nfs/dbraw/zinc/81/19/54/296811954.db2.gz JTWLMHNNHLAYTE-OLZOCXBDSA-N 2 1 307.413 2.520 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(-c3cccs3)no2)CC1 ZINC000430938155 296813556 /nfs/dbraw/zinc/81/35/56/296813556.db2.gz APZUNSMBVWAPDF-QWRGUYRKSA-N 2 1 306.435 2.918 20 0 DFADMP C[C@@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H](c1ccccc1)[NH+](C)C ZINC000186321399 287059914 /nfs/dbraw/zinc/05/99/14/287059914.db2.gz FSNRUUGKPDLDJO-NXWXRZEISA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129424368 196047433 /nfs/dbraw/zinc/04/74/33/196047433.db2.gz WUEOXTLZICTLSJ-GJYPPUQNSA-N 2 1 312.461 2.750 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423864 196168068 /nfs/dbraw/zinc/16/80/68/196168068.db2.gz YSOWXJAAVPVKEH-HLLBOEOZSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423864 196168070 /nfs/dbraw/zinc/16/80/70/196168070.db2.gz YSOWXJAAVPVKEH-HLLBOEOZSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H](NCC(C)(C)C[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000132104078 196226951 /nfs/dbraw/zinc/22/69/51/196226951.db2.gz KQIRUWKXYKEJJS-MRXNPFEDSA-N 2 1 321.509 2.865 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)C1([NH3+])CCC1 ZINC000296042312 287275843 /nfs/dbraw/zinc/27/58/43/287275843.db2.gz OCVUFFKIIFKECT-OAHLLOKOSA-N 2 1 315.461 2.559 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000183052870 287307444 /nfs/dbraw/zinc/30/74/44/287307444.db2.gz YIDWBFWTBWPIEA-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)n1C ZINC000667593012 543637816 /nfs/dbraw/zinc/63/78/16/543637816.db2.gz NJMRTWOPUNXQBM-QGZVFWFLSA-N 2 1 304.482 2.817 20 0 DFADMP Cc1ncc(CN2CCC[N@@H+](Cc3ccccc3C)CC2)n1C ZINC000667497468 543618665 /nfs/dbraw/zinc/61/86/65/543618665.db2.gz CKEMAJGXOIHRJE-UHFFFAOYSA-N 2 1 312.461 2.745 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667501647 543619512 /nfs/dbraw/zinc/61/95/12/543619512.db2.gz FKYHKYWQSLXXGF-UHFFFAOYSA-N 2 1 304.482 2.773 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C ZINC000667664100 543654165 /nfs/dbraw/zinc/65/41/65/543654165.db2.gz CITXGEUWXOQMAR-WBVHZDCISA-N 2 1 313.449 2.572 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681267 543658265 /nfs/dbraw/zinc/65/82/65/543658265.db2.gz FBLHYIXPDCWWHI-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681267 543658268 /nfs/dbraw/zinc/65/82/68/543658268.db2.gz FBLHYIXPDCWWHI-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681267 543658270 /nfs/dbraw/zinc/65/82/70/543658270.db2.gz FBLHYIXPDCWWHI-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681267 543658271 /nfs/dbraw/zinc/65/82/71/543658271.db2.gz FBLHYIXPDCWWHI-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681268 543658546 /nfs/dbraw/zinc/65/85/46/543658546.db2.gz FBLHYIXPDCWWHI-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681268 543658549 /nfs/dbraw/zinc/65/85/49/543658549.db2.gz FBLHYIXPDCWWHI-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681268 543658551 /nfs/dbraw/zinc/65/85/51/543658551.db2.gz FBLHYIXPDCWWHI-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000667681268 543658554 /nfs/dbraw/zinc/65/85/54/543658554.db2.gz FBLHYIXPDCWWHI-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)Nc2cccc(C[NH3+])c2)C1 ZINC000667730960 543668632 /nfs/dbraw/zinc/66/86/32/543668632.db2.gz HWZPJFQAUSQHTM-HNNXBMFYSA-N 2 1 318.465 2.779 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)COc2ccc(CCOC)cc2)CC1 ZINC000667764025 543675174 /nfs/dbraw/zinc/67/51/74/543675174.db2.gz OUTGHGJEWUQGDZ-MRXNPFEDSA-N 2 1 320.477 2.717 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@@H]1CO[C@H](C3CC3)C1)C2 ZINC000667773557 543676619 /nfs/dbraw/zinc/67/66/19/543676619.db2.gz LPTBRIIDWVPGHE-OALUTQOASA-N 2 1 300.446 2.592 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@@H]1CO[C@H](C3CC3)C1)C2 ZINC000667773557 543676621 /nfs/dbraw/zinc/67/66/21/543676621.db2.gz LPTBRIIDWVPGHE-OALUTQOASA-N 2 1 300.446 2.592 20 0 DFADMP CN(C)c1cc[nH+]c(NC(=O)CC[N@H+]2CCc3ccccc3C2)c1 ZINC000667984821 543718266 /nfs/dbraw/zinc/71/82/66/543718266.db2.gz NLSZWRGHZJOWMA-UHFFFAOYSA-N 2 1 324.428 2.535 20 0 DFADMP COCC[C@@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667996394 543721162 /nfs/dbraw/zinc/72/11/62/543721162.db2.gz MLNOFLRBGKUNGF-INIZCTEOSA-N 2 1 314.433 2.906 20 0 DFADMP COCC[C@@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667996394 543721164 /nfs/dbraw/zinc/72/11/64/543721164.db2.gz MLNOFLRBGKUNGF-INIZCTEOSA-N 2 1 314.433 2.906 20 0 DFADMP CN(Cc1cccc(F)c1OC(F)F)C[C@H]1CC[N@@H+](C)C1 ZINC000668021047 543724789 /nfs/dbraw/zinc/72/47/89/543724789.db2.gz YJIAOEZPKKHHKY-NSHDSACASA-N 2 1 302.340 2.811 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]C2CC(Oc3ccccc3)C2)CCCO1 ZINC000668064879 543732074 /nfs/dbraw/zinc/73/20/74/543732074.db2.gz YTGUMCZBHRIJKI-MUYFXNHWSA-N 2 1 318.461 2.687 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CC(Oc3ccccc3)C2)CCCO1 ZINC000668064879 543732075 /nfs/dbraw/zinc/73/20/75/543732075.db2.gz YTGUMCZBHRIJKI-MUYFXNHWSA-N 2 1 318.461 2.687 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H]2C2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000667926611 543704464 /nfs/dbraw/zinc/70/44/64/543704464.db2.gz RVWDUCPXMCHUSZ-SFHVURJKSA-N 2 1 312.417 2.658 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]2C2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000667926611 543704466 /nfs/dbraw/zinc/70/44/66/543704466.db2.gz RVWDUCPXMCHUSZ-SFHVURJKSA-N 2 1 312.417 2.658 20 0 DFADMP c1nc2n(c1C[N@H+]1CC3(CCC3)[C@H]1C1CCOCC1)CCC2 ZINC000668251810 543777988 /nfs/dbraw/zinc/77/79/88/543777988.db2.gz KUYHXADHTXNDIN-QGZVFWFLSA-N 2 1 301.434 2.610 20 0 DFADMP CC[N@@H+](Cc1cnn2c1CCC2)Cc1ccc(C[NH+](C)C)cc1 ZINC000668161109 543753982 /nfs/dbraw/zinc/75/39/82/543753982.db2.gz REXVVBDFTQIXTJ-UHFFFAOYSA-N 2 1 312.461 2.913 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668166076 543756267 /nfs/dbraw/zinc/75/62/67/543756267.db2.gz ORNVXEDRSYOWIN-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668166076 543756269 /nfs/dbraw/zinc/75/62/69/543756269.db2.gz ORNVXEDRSYOWIN-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)CC2=CCSC2)cc1 ZINC000668775009 543865533 /nfs/dbraw/zinc/86/55/33/543865533.db2.gz CXJYDAJIJLEUOL-UHFFFAOYSA-N 2 1 306.475 2.732 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668740863 543859051 /nfs/dbraw/zinc/85/90/51/543859051.db2.gz XVUUQNWZQBTCSF-KXBFYZLASA-N 2 1 320.452 2.678 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668740853 543859535 /nfs/dbraw/zinc/85/95/35/543859535.db2.gz XVUUQNWZQBTCSF-BEFAXECRSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](CCc2cccc(Cl)c2)CCO1 ZINC000668785801 543867751 /nfs/dbraw/zinc/86/77/51/543867751.db2.gz XRNQKZYHBDFFLJ-KRWDZBQOSA-N 2 1 310.869 2.925 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2cccc(Cl)c2)CCO1 ZINC000668785801 543867754 /nfs/dbraw/zinc/86/77/54/543867754.db2.gz XRNQKZYHBDFFLJ-KRWDZBQOSA-N 2 1 310.869 2.925 20 0 DFADMP Cc1cnccc1C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000296730283 226171668 /nfs/dbraw/zinc/17/16/68/226171668.db2.gz JNJQENXJQLQWBI-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP Cc1cnccc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000296730283 226171672 /nfs/dbraw/zinc/17/16/72/226171672.db2.gz JNJQENXJQLQWBI-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP Cc1cnccc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000296730283 226171673 /nfs/dbraw/zinc/17/16/73/226171673.db2.gz JNJQENXJQLQWBI-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP Cc1cnccc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000296730283 226171678 /nfs/dbraw/zinc/17/16/78/226171678.db2.gz JNJQENXJQLQWBI-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000671109048 544056010 /nfs/dbraw/zinc/05/60/10/544056010.db2.gz UWXNYZZAGJTGEY-AEFFLSMTSA-N 2 1 304.478 2.954 20 0 DFADMP Cc1ccc2nc(CNc3cnn(-c4ccncc4)c3)cn2c1 ZINC000671190235 544059176 /nfs/dbraw/zinc/05/91/76/544059176.db2.gz KQSHTBZSKVIINV-UHFFFAOYSA-N 2 1 304.357 2.836 20 0 DFADMP COC(=O)CCC[NH+]1CCC(Nc2cc(C3CC3)cc[nH+]2)CC1 ZINC000291001557 222063676 /nfs/dbraw/zinc/06/36/76/222063676.db2.gz CBEVTOYFNITWGC-UHFFFAOYSA-N 2 1 317.433 2.789 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1c2ccccc2CC12CCOCC2 ZINC000291516987 222440802 /nfs/dbraw/zinc/44/08/02/222440802.db2.gz YJQFMOANEUOFLJ-SFHVURJKSA-N 2 1 311.429 2.646 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2COc3ccccc3O2)C[C@H]1C ZINC000674047788 544215730 /nfs/dbraw/zinc/21/57/30/544215730.db2.gz PKUQOYVTZWTYDE-OWCLPIDISA-N 2 1 304.434 2.631 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2COc3ccccc3O2)C[C@H]1C ZINC000674047788 544215732 /nfs/dbraw/zinc/21/57/32/544215732.db2.gz PKUQOYVTZWTYDE-OWCLPIDISA-N 2 1 304.434 2.631 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2COc3ccccc3O2)C[C@H]1C ZINC000674047788 544215734 /nfs/dbraw/zinc/21/57/34/544215734.db2.gz PKUQOYVTZWTYDE-OWCLPIDISA-N 2 1 304.434 2.631 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2COc3ccccc3O2)C[C@H]1C ZINC000674047788 544215735 /nfs/dbraw/zinc/21/57/35/544215735.db2.gz PKUQOYVTZWTYDE-OWCLPIDISA-N 2 1 304.434 2.631 20 0 DFADMP C[C@@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)[NH+](C)C ZINC000674245288 544226184 /nfs/dbraw/zinc/22/61/84/544226184.db2.gz JQAMLDNEZBQDHF-HOTGVXAUSA-N 2 1 317.477 2.627 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)nc1 ZINC000674863967 544271579 /nfs/dbraw/zinc/27/15/79/544271579.db2.gz UGGBSYBTGDQBEN-MRXNPFEDSA-N 2 1 300.406 2.822 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@H](n3cc[nH+]c3C)C2)nc1 ZINC000674863967 544271580 /nfs/dbraw/zinc/27/15/80/544271580.db2.gz UGGBSYBTGDQBEN-MRXNPFEDSA-N 2 1 300.406 2.822 20 0 DFADMP CC(C)[NH2+]CC(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC000674680881 544251218 /nfs/dbraw/zinc/25/12/18/544251218.db2.gz HBPDOCCZQNPLCC-MRXNPFEDSA-N 2 1 323.868 2.591 20 0 DFADMP COc1ccccc1OC[C@@H](C)C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297564625 227307358 /nfs/dbraw/zinc/30/73/58/227307358.db2.gz HKJBJILOQUXLKY-HNNXBMFYSA-N 2 1 318.461 2.927 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@@H](C)C3)c2c1 ZINC000675878324 544341122 /nfs/dbraw/zinc/34/11/22/544341122.db2.gz SCZCGVQQNSBYMR-DZGCQCFKSA-N 2 1 301.434 2.791 20 0 DFADMP C[C@@H](Cc1ccsc1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000675880103 544341129 /nfs/dbraw/zinc/34/11/29/544341129.db2.gz BFFGROAKPPHOMI-YOEHRIQHSA-N 2 1 308.491 2.912 20 0 DFADMP COc1ccc(COCC[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000675897702 544342693 /nfs/dbraw/zinc/34/26/93/544342693.db2.gz RQJKSTXUSYOULQ-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000675897702 544342695 /nfs/dbraw/zinc/34/26/95/544342695.db2.gz RQJKSTXUSYOULQ-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000675897702 544342697 /nfs/dbraw/zinc/34/26/97/544342697.db2.gz RQJKSTXUSYOULQ-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)c1 ZINC000676222400 544364740 /nfs/dbraw/zinc/36/47/40/544364740.db2.gz MSOGLSIAJLPTEM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000676222400 544364742 /nfs/dbraw/zinc/36/47/42/544364742.db2.gz MSOGLSIAJLPTEM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000676222400 544364744 /nfs/dbraw/zinc/36/47/44/544364744.db2.gz MSOGLSIAJLPTEM-AEFFLSMTSA-N 2 1 301.434 2.561 20 0 DFADMP C[C@@H](CC[N@H+]1CCCOC(C)(C)C1)[NH+]1CCCOC(C)(C)C1 ZINC000676253126 544366019 /nfs/dbraw/zinc/36/60/19/544366019.db2.gz XKVPYSMXSXEMND-INIZCTEOSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@@H](CC[NH+]1CCCOC(C)(C)C1)[N@@H+]1CCCOC(C)(C)C1 ZINC000676253126 544366021 /nfs/dbraw/zinc/36/60/21/544366021.db2.gz XKVPYSMXSXEMND-INIZCTEOSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@@H](CC[NH+]1CCCOC(C)(C)C1)[N@H+]1CCCOC(C)(C)C1 ZINC000676253126 544366023 /nfs/dbraw/zinc/36/60/23/544366023.db2.gz XKVPYSMXSXEMND-INIZCTEOSA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](CC[C@@H](C)[NH+]2CCC[C@H](OCC)C2)C1 ZINC000676252548 544366150 /nfs/dbraw/zinc/36/61/50/544366150.db2.gz QYFFKKKUKVTHQI-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000676252548 544366152 /nfs/dbraw/zinc/36/61/52/544366152.db2.gz QYFFKKKUKVTHQI-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@H](OCC)C2)C1 ZINC000676252548 544366153 /nfs/dbraw/zinc/36/61/53/544366153.db2.gz QYFFKKKUKVTHQI-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CC[NH+](CCO)CC1 ZINC000677139052 544440084 /nfs/dbraw/zinc/44/00/84/544440084.db2.gz RJNARNLEKXTSJM-OWBHPGMISA-N 2 1 308.853 2.790 20 0 DFADMP c1cnn(C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000677241655 544457537 /nfs/dbraw/zinc/45/75/37/544457537.db2.gz RTFNCDBBIZRCLL-OTWHNJEPSA-N 2 1 310.445 2.841 20 0 DFADMP c1cnn(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c2ccccc2)c1 ZINC000677241655 544457538 /nfs/dbraw/zinc/45/75/38/544457538.db2.gz RTFNCDBBIZRCLL-OTWHNJEPSA-N 2 1 310.445 2.841 20 0 DFADMP Cn1ccnc1C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000677242025 544457886 /nfs/dbraw/zinc/45/78/86/544457886.db2.gz WGJLENHPYLXBTL-QRVBRYPASA-N 2 1 324.472 2.920 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749342 544536157 /nfs/dbraw/zinc/53/61/57/544536157.db2.gz YKFKUZWDBGPYMZ-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749342 544536161 /nfs/dbraw/zinc/53/61/61/544536161.db2.gz YKFKUZWDBGPYMZ-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749342 544536166 /nfs/dbraw/zinc/53/61/66/544536166.db2.gz YKFKUZWDBGPYMZ-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749342 544536170 /nfs/dbraw/zinc/53/61/70/544536170.db2.gz YKFKUZWDBGPYMZ-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000677749342 544536171 /nfs/dbraw/zinc/53/61/71/544536171.db2.gz YKFKUZWDBGPYMZ-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+]CCCn1cc[nH+]c1C ZINC000677878643 544555990 /nfs/dbraw/zinc/55/59/90/544555990.db2.gz FJYWFKGHADKABG-UHFFFAOYSA-N 2 1 310.401 2.928 20 0 DFADMP CCN1C[C@@H](C[N@H+](C)CC[C@H]2CCC[NH+]2C)Oc2ccccc21 ZINC000678073647 544594547 /nfs/dbraw/zinc/59/45/47/544594547.db2.gz DZQBHUHPLIYTHK-IAGOWNOFSA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@@H](C[N@@H+](C)CC[C@H]2CCC[NH+]2C)Oc2ccccc21 ZINC000678073647 544594550 /nfs/dbraw/zinc/59/45/50/544594550.db2.gz DZQBHUHPLIYTHK-IAGOWNOFSA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@@H](C[NH+](C)CC[C@H]2CCC[N@@H+]2C)Oc2ccccc21 ZINC000678073647 544594552 /nfs/dbraw/zinc/59/45/52/544594552.db2.gz DZQBHUHPLIYTHK-IAGOWNOFSA-N 2 1 317.477 2.690 20 0 DFADMP CCN1C[C@@H](C[NH+](C)CC[C@H]2CCC[N@H+]2C)Oc2ccccc21 ZINC000678073647 544594553 /nfs/dbraw/zinc/59/45/53/544594553.db2.gz DZQBHUHPLIYTHK-IAGOWNOFSA-N 2 1 317.477 2.690 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCCC[C@@H]1c1cncn1C ZINC000678074563 544594886 /nfs/dbraw/zinc/59/48/86/544594886.db2.gz OATITXSIWGEJPX-MRXNPFEDSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1cncn1C ZINC000678074563 544594892 /nfs/dbraw/zinc/59/48/92/544594892.db2.gz OATITXSIWGEJPX-MRXNPFEDSA-N 2 1 301.438 2.932 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)CO1 ZINC000678153877 544611707 /nfs/dbraw/zinc/61/17/07/544611707.db2.gz UHJSMAYGQOJYPR-IRXDYDNUSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)CO1 ZINC000678153877 544611709 /nfs/dbraw/zinc/61/17/09/544611709.db2.gz UHJSMAYGQOJYPR-IRXDYDNUSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC000678213736 544620435 /nfs/dbraw/zinc/62/04/35/544620435.db2.gz DVUSQNPEHVOSIY-HNNXBMFYSA-N 2 1 306.450 2.626 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@H]3COCC[C@H]32)cc1 ZINC000678333587 544652829 /nfs/dbraw/zinc/65/28/29/544652829.db2.gz DRESFXLZYPSFRD-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340898 544654674 /nfs/dbraw/zinc/65/46/74/544654674.db2.gz SDHFYAYQJXKSGW-NUJGCVRESA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340898 544654677 /nfs/dbraw/zinc/65/46/77/544654677.db2.gz SDHFYAYQJXKSGW-NUJGCVRESA-N 2 1 300.446 2.969 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCOc4ccccc43)CC[C@@H]21 ZINC000678340898 544654679 /nfs/dbraw/zinc/65/46/79/544654679.db2.gz SDHFYAYQJXKSGW-NUJGCVRESA-N 2 1 300.446 2.969 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCOC1 ZINC000678465396 544678504 /nfs/dbraw/zinc/67/85/04/544678504.db2.gz RKRZUMJLUNTYJS-GOSISDBHSA-N 2 1 303.450 2.799 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1nc2c(s1)CCC2 ZINC000678840248 544734382 /nfs/dbraw/zinc/73/43/82/544734382.db2.gz PBDUFQQVDOBYPF-CYBMUJFWSA-N 2 1 302.447 2.801 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1nc2c(s1)CCC2 ZINC000678840248 544734387 /nfs/dbraw/zinc/73/43/87/544734387.db2.gz PBDUFQQVDOBYPF-CYBMUJFWSA-N 2 1 302.447 2.801 20 0 DFADMP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679038572 544773884 /nfs/dbraw/zinc/77/38/84/544773884.db2.gz OBGNAHIMPVZNDR-IBGZPJMESA-N 2 1 304.478 2.690 20 0 DFADMP C[C@H](CCCCO)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000679336522 544836757 /nfs/dbraw/zinc/83/67/57/544836757.db2.gz WYOMEOIIPGORKI-SJORKVTESA-N 2 1 320.477 2.548 20 0 DFADMP C[C@H](CCCCO)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000679336522 544836758 /nfs/dbraw/zinc/83/67/58/544836758.db2.gz WYOMEOIIPGORKI-SJORKVTESA-N 2 1 320.477 2.548 20 0 DFADMP CSc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000679671397 544896050 /nfs/dbraw/zinc/89/60/50/544896050.db2.gz IMSIWINPPLHRSB-QGZVFWFLSA-N 2 1 319.518 2.620 20 0 DFADMP CSc1ccccc1C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000679671397 544896056 /nfs/dbraw/zinc/89/60/56/544896056.db2.gz IMSIWINPPLHRSB-QGZVFWFLSA-N 2 1 319.518 2.620 20 0 DFADMP CO[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000680333728 544992913 /nfs/dbraw/zinc/99/29/13/544992913.db2.gz APNNTAAMDSXAHQ-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP Cc1ccc([C@@H](CNc2cc[nH+]cc2C(N)=O)[NH+]2CCCC2)cc1 ZINC000302232451 230190398 /nfs/dbraw/zinc/19/03/98/230190398.db2.gz SKOVRMAVGMUILV-GOSISDBHSA-N 2 1 324.428 2.738 20 0 DFADMP Cc1cc(N2CC[N@@H+](CC(C)(C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000302472571 230257666 /nfs/dbraw/zinc/25/76/66/230257666.db2.gz DECDUDPWQSBROB-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2c(F)cccc2F)C[C@H](C)O1 ZINC000062253101 425900130 /nfs/dbraw/zinc/90/01/30/425900130.db2.gz BEIWMNFKWXDUDT-OKILXGFUSA-N 2 1 312.404 2.944 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC(C)(C)C)CC1 ZINC000066960872 425907777 /nfs/dbraw/zinc/90/77/77/425907777.db2.gz GSPAZYDOMDXIHU-OAHLLOKOSA-N 2 1 311.514 2.734 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000067122199 425908628 /nfs/dbraw/zinc/90/86/28/425908628.db2.gz RDDPHSHYUSSFPC-WPNIOXTASA-N 2 1 302.462 2.772 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(F)cc1F)[N@@H+](C)CCCn1ccnc1 ZINC000124461168 425921103 /nfs/dbraw/zinc/92/11/03/425921103.db2.gz OXKWFASXKCOKSW-LBPRGKRZSA-N 2 1 322.359 2.510 20 0 DFADMP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCC[C@H](C)C1 ZINC000155781685 425927160 /nfs/dbraw/zinc/92/71/60/425927160.db2.gz IYHIOMJFVVDPIR-HOTGVXAUSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2ccc3c(c2)sc(=O)n3C)CC[N@H+]1C ZINC000192625212 268043346 /nfs/dbraw/zinc/04/33/46/268043346.db2.gz BVESLBMCRIOTHN-JSGCOSHPSA-N 2 1 319.474 2.515 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc3c(c2)sc(=O)n3C)CCN1C ZINC000192625212 268043348 /nfs/dbraw/zinc/04/33/48/268043348.db2.gz BVESLBMCRIOTHN-JSGCOSHPSA-N 2 1 319.474 2.515 20 0 DFADMP OCCCCC[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000192926154 268054043 /nfs/dbraw/zinc/05/40/43/268054043.db2.gz OMBFXQFRLQQCBP-OTWHNJEPSA-N 2 1 302.462 2.649 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCO[C@H]1CCCCO1 ZINC000193131740 268060580 /nfs/dbraw/zinc/06/05/80/268060580.db2.gz JJKVKUPZYAIMMN-KRWDZBQOSA-N 2 1 309.454 2.701 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCO[C@H]1CCCCO1 ZINC000193131740 268060581 /nfs/dbraw/zinc/06/05/81/268060581.db2.gz JJKVKUPZYAIMMN-KRWDZBQOSA-N 2 1 309.454 2.701 20 0 DFADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136863 268127394 /nfs/dbraw/zinc/12/73/94/268127394.db2.gz MAQAEAMHKDQRFM-YJBOKZPZSA-N 2 1 312.461 2.901 20 0 DFADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195136854 268127559 /nfs/dbraw/zinc/12/75/59/268127559.db2.gz MAQAEAMHKDQRFM-QAPCUYQASA-N 2 1 312.461 2.901 20 0 DFADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000223404071 268142466 /nfs/dbraw/zinc/14/24/66/268142466.db2.gz YITJFLVIRAKHRN-CQSZACIVSA-N 2 1 313.486 2.706 20 0 DFADMP c1cc(N2CCCC2)ncc1C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268148447 268183062 /nfs/dbraw/zinc/18/30/62/268183062.db2.gz APUWEAYQKRRGJS-UHFFFAOYSA-N 2 1 314.477 2.788 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270624803 268193814 /nfs/dbraw/zinc/19/38/14/268193814.db2.gz KQGDPNJZVONWES-CVEARBPZSA-N 2 1 303.406 2.763 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1C[C@H](O)c1ccco1 ZINC000270624803 268193815 /nfs/dbraw/zinc/19/38/15/268193815.db2.gz KQGDPNJZVONWES-CVEARBPZSA-N 2 1 303.406 2.763 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000270910286 268234107 /nfs/dbraw/zinc/23/41/07/268234107.db2.gz SSVZHWHYJFKZON-CQSZACIVSA-N 2 1 305.809 2.998 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@@H](Oc2ccccc2Cl)C1 ZINC000270910286 268234109 /nfs/dbraw/zinc/23/41/09/268234109.db2.gz SSVZHWHYJFKZON-CQSZACIVSA-N 2 1 305.809 2.998 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)cc1C ZINC000272900184 268253500 /nfs/dbraw/zinc/25/35/00/268253500.db2.gz BIJBXGATXDRKJA-WBVHZDCISA-N 2 1 306.450 2.501 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000277310624 268264366 /nfs/dbraw/zinc/26/43/66/268264366.db2.gz VUPGDVNOFUVISP-CQSZACIVSA-N 2 1 306.450 2.796 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000309678319 268335770 /nfs/dbraw/zinc/33/57/70/268335770.db2.gz YDRFGFCAZQXWAK-GJZGRUSLSA-N 2 1 322.453 2.617 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@H]1[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000333289186 268389470 /nfs/dbraw/zinc/38/94/70/268389470.db2.gz OCPZGHSJOLVRFI-VWHBUJHXSA-N 2 1 313.445 2.549 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000125587385 425981079 /nfs/dbraw/zinc/98/10/79/425981079.db2.gz YCWQHKXCWDZYQX-DJIMGWMZSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000125587385 425981083 /nfs/dbraw/zinc/98/10/83/425981083.db2.gz YCWQHKXCWDZYQX-DJIMGWMZSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148832 425983482 /nfs/dbraw/zinc/98/34/82/425983482.db2.gz NMXMIXVPEKVGHQ-LBPRGKRZSA-N 2 1 316.276 2.891 20 0 DFADMP C[C@@H](c1cc(Cl)ccc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148832 425983484 /nfs/dbraw/zinc/98/34/84/425983484.db2.gz NMXMIXVPEKVGHQ-LBPRGKRZSA-N 2 1 316.276 2.891 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158754930 425947298 /nfs/dbraw/zinc/94/72/98/425947298.db2.gz ZWEVVUCCPNSOPE-BRSBDYLESA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158754930 425947301 /nfs/dbraw/zinc/94/73/01/425947301.db2.gz ZWEVVUCCPNSOPE-BRSBDYLESA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000158754930 425947303 /nfs/dbraw/zinc/94/73/03/425947303.db2.gz ZWEVVUCCPNSOPE-BRSBDYLESA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158754930 425947304 /nfs/dbraw/zinc/94/73/04/425947304.db2.gz ZWEVVUCCPNSOPE-BRSBDYLESA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158754930 425947306 /nfs/dbraw/zinc/94/73/06/425947306.db2.gz ZWEVVUCCPNSOPE-BRSBDYLESA-N 2 1 321.509 2.582 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000125095753 425952592 /nfs/dbraw/zinc/95/25/92/425952592.db2.gz QSQMYZLTHZCUTA-ATNYBXOESA-N 2 1 306.450 2.781 20 0 DFADMP CCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000159048516 425954363 /nfs/dbraw/zinc/95/43/63/425954363.db2.gz BDNWULBNMGSZNC-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](c1cccnc1)[NH+]1CCN(CCC[NH+]2CCCCC2)CC1 ZINC000125206012 425958611 /nfs/dbraw/zinc/95/86/11/425958611.db2.gz YRMCXSUWCXMKKR-SFHVURJKSA-N 2 1 316.493 2.636 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125478538 425974119 /nfs/dbraw/zinc/97/41/19/425974119.db2.gz MVWRECGOQNZWQC-QAPCUYQASA-N 3 1 321.534 2.890 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000125478538 425974121 /nfs/dbraw/zinc/97/41/21/425974121.db2.gz MVWRECGOQNZWQC-QAPCUYQASA-N 2 1 321.534 2.890 20 0 DFADMP COc1cc(C[N@H+](CCCn2cc[nH+]c2C)C2CC2)ccc1O ZINC000161532935 426028366 /nfs/dbraw/zinc/02/83/66/426028366.db2.gz ZCSYDIYEPSFWGQ-UHFFFAOYSA-N 2 1 315.417 2.960 20 0 DFADMP COc1cc(C[N@@H+](CCCn2cc[nH+]c2C)C2CC2)ccc1O ZINC000161532935 426028368 /nfs/dbraw/zinc/02/83/68/426028368.db2.gz ZCSYDIYEPSFWGQ-UHFFFAOYSA-N 2 1 315.417 2.960 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccc(C)nc2)[C@H](C)C1 ZINC000161571918 426030112 /nfs/dbraw/zinc/03/01/12/426030112.db2.gz RZCUGTWFNVEPQP-APWZRJJASA-N 2 1 319.493 2.659 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126671556 426030905 /nfs/dbraw/zinc/03/09/05/426030905.db2.gz BTJRDKLBZCPCDE-RBUKOAKNSA-N 2 1 310.445 2.648 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126671556 426030908 /nfs/dbraw/zinc/03/09/08/426030908.db2.gz BTJRDKLBZCPCDE-RBUKOAKNSA-N 2 1 310.445 2.648 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C(C)C ZINC000126716058 426033519 /nfs/dbraw/zinc/03/35/19/426033519.db2.gz QEQLRZHMNUMXCL-LJQANCHMSA-N 2 1 303.494 2.958 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000161857036 426042427 /nfs/dbraw/zinc/04/24/27/426042427.db2.gz HNXSGCRFZLOQMR-VFPGXZCRSA-N 2 1 321.509 2.676 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161852380 426043028 /nfs/dbraw/zinc/04/30/28/426043028.db2.gz QYJRSLUMKRSRDR-GDBMZVCRSA-N 2 1 304.434 2.668 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc3c(c2)OCCCO3)[C@H](C)C1 ZINC000161852380 426043030 /nfs/dbraw/zinc/04/30/30/426043030.db2.gz QYJRSLUMKRSRDR-GDBMZVCRSA-N 2 1 304.434 2.668 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000074219506 426044050 /nfs/dbraw/zinc/04/40/50/426044050.db2.gz BMDLTFLXXMAPPQ-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000074219506 426044055 /nfs/dbraw/zinc/04/40/55/426044055.db2.gz BMDLTFLXXMAPPQ-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP C(CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)C[NH+]1CCCCC1 ZINC000161984415 426048518 /nfs/dbraw/zinc/04/85/18/426048518.db2.gz KBXLNPIXIHCMAY-IEBWSBKVSA-N 2 1 305.510 2.811 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2cnn(C)c2)cc1 ZINC000127870269 426089928 /nfs/dbraw/zinc/08/99/28/426089928.db2.gz YHYDTTUBCWQXDE-AWEZNQCLSA-N 2 1 309.417 2.808 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(N3CCOC3=O)c2)C1 ZINC000163217644 426093931 /nfs/dbraw/zinc/09/39/31/426093931.db2.gz KRDWPMVUCBTEFO-GJZGRUSLSA-N 2 1 317.433 2.636 20 0 DFADMP COc1cc(OC)cc([C@H]2CC[N@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000163238291 426094174 /nfs/dbraw/zinc/09/41/74/426094174.db2.gz CXCCYAVWWKQDNF-INIZCTEOSA-N 2 1 318.461 2.979 20 0 DFADMP COc1cc(OC)cc([C@H]2CC[N@@H+](CCC[NH+]3CCCC3)C2)c1 ZINC000163238291 426094178 /nfs/dbraw/zinc/09/41/78/426094178.db2.gz CXCCYAVWWKQDNF-INIZCTEOSA-N 2 1 318.461 2.979 20 0 DFADMP C[N@@H+](CCOCC1CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076110085 426099869 /nfs/dbraw/zinc/09/98/69/426099869.db2.gz ISCGRSFEXRQRDB-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CCOCC1CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076110085 426099872 /nfs/dbraw/zinc/09/98/72/426099872.db2.gz ISCGRSFEXRQRDB-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](CCOCC1CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076110085 426099875 /nfs/dbraw/zinc/09/98/75/426099875.db2.gz ISCGRSFEXRQRDB-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000076109625 426101465 /nfs/dbraw/zinc/10/14/65/426101465.db2.gz YEOODEKBJPCSJE-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000076109625 426101469 /nfs/dbraw/zinc/10/14/69/426101469.db2.gz YEOODEKBJPCSJE-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1CCOCC1 ZINC000076109625 426101472 /nfs/dbraw/zinc/10/14/72/426101472.db2.gz YEOODEKBJPCSJE-LJQANCHMSA-N 2 1 302.462 2.867 20 0 DFADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)[C@H]1CCOC1 ZINC000128207808 426106570 /nfs/dbraw/zinc/10/65/70/426106570.db2.gz AYGUEUXAJPKUMF-RDJZCZTQSA-N 2 1 303.450 2.764 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c(F)c1 ZINC000128257293 426108741 /nfs/dbraw/zinc/10/87/41/426108741.db2.gz FNSDUYITTIJUIX-OAHLLOKOSA-N 2 1 323.456 2.513 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000164568139 426115015 /nfs/dbraw/zinc/11/50/15/426115015.db2.gz UAWUPDUFOXXLJP-GJZGRUSLSA-N 2 1 303.450 2.855 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000164568022 426115725 /nfs/dbraw/zinc/11/57/25/426115725.db2.gz UAWUPDUFOXXLJP-LSDHHAIUSA-N 2 1 303.450 2.855 20 0 DFADMP C[C@@H](CNC(=O)CC[C@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000164976493 426119416 /nfs/dbraw/zinc/11/94/16/426119416.db2.gz GMLJFRIBGDRPLY-RYRKJORJSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H](C[NH2+]Cc1cncc(Br)c1)C[NH+]1CCCC1 ZINC000166895122 426130041 /nfs/dbraw/zinc/13/00/41/426130041.db2.gz NNFZIOQBAIIEKA-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCO1 ZINC000167050949 426130819 /nfs/dbraw/zinc/13/08/19/426130819.db2.gz ORUOJZNUXTWGKM-IBGZPJMESA-N 2 1 320.452 2.991 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2C2CCCC2)CC1 ZINC000114455557 426136564 /nfs/dbraw/zinc/13/65/64/426136564.db2.gz UVSJVBZSXVMNOY-SFHVURJKSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000162795614 426077156 /nfs/dbraw/zinc/07/71/56/426077156.db2.gz MIYALVSXHXSHMJ-SJORKVTESA-N 2 1 323.506 2.958 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000162795614 426077158 /nfs/dbraw/zinc/07/71/58/426077158.db2.gz MIYALVSXHXSHMJ-SJORKVTESA-N 2 1 323.506 2.958 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000127762524 426085125 /nfs/dbraw/zinc/08/51/25/426085125.db2.gz XAYKGQKMUMZFIY-VQIMIIECSA-N 2 1 300.446 2.976 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000171650487 426202523 /nfs/dbraw/zinc/20/25/23/426202523.db2.gz NSZBOMYSVNCXRZ-UHFFFAOYSA-N 2 1 318.465 2.744 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](CC(=O)N(C)C)c1ccccc1 ZINC000338276548 268649652 /nfs/dbraw/zinc/64/96/52/268649652.db2.gz BBSACMHCVUKVEL-QGZVFWFLSA-N 2 1 305.466 2.528 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328382 268659469 /nfs/dbraw/zinc/65/94/69/268659469.db2.gz RSJFZJULJHHGEI-VQTJNVASSA-N 2 1 316.489 2.887 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328382 268659471 /nfs/dbraw/zinc/65/94/71/268659471.db2.gz RSJFZJULJHHGEI-VQTJNVASSA-N 2 1 316.489 2.887 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000338328382 268659473 /nfs/dbraw/zinc/65/94/73/268659473.db2.gz RSJFZJULJHHGEI-VQTJNVASSA-N 2 1 316.489 2.887 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1)C(C)C ZINC000170868182 426156335 /nfs/dbraw/zinc/15/63/35/426156335.db2.gz FFUIWSQQDRKFAL-GOSISDBHSA-N 2 1 317.477 2.693 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000135079023 426205553 /nfs/dbraw/zinc/20/55/53/426205553.db2.gz SVDQFAVIIZCJKL-MRXNPFEDSA-N 2 1 304.434 2.635 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1 ZINC000135079023 426205556 /nfs/dbraw/zinc/20/55/56/426205556.db2.gz SVDQFAVIIZCJKL-MRXNPFEDSA-N 2 1 304.434 2.635 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131329337 426164990 /nfs/dbraw/zinc/16/49/90/426164990.db2.gz NJOHOVHIOQCVHL-CKEIUWERSA-N 2 1 303.450 2.689 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131329337 426164992 /nfs/dbraw/zinc/16/49/92/426164992.db2.gz NJOHOVHIOQCVHL-CKEIUWERSA-N 2 1 303.450 2.689 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CCOC(C)(C)C)CC2)C[C@H](C)O1 ZINC000171304227 426182880 /nfs/dbraw/zinc/18/28/80/426182880.db2.gz MVTFOOFEHCOGBT-IYBDPMFKSA-N 2 1 312.498 2.623 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000079461950 426193445 /nfs/dbraw/zinc/19/34/45/426193445.db2.gz HIQJSEDGURJEEI-QAPCUYQASA-N 2 1 302.462 2.826 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000079461950 426193447 /nfs/dbraw/zinc/19/34/47/426193447.db2.gz HIQJSEDGURJEEI-QAPCUYQASA-N 2 1 302.462 2.826 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)[C@H](C)C1 ZINC000079461950 426193448 /nfs/dbraw/zinc/19/34/48/426193448.db2.gz HIQJSEDGURJEEI-QAPCUYQASA-N 2 1 302.462 2.826 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134899860 426199566 /nfs/dbraw/zinc/19/95/66/426199566.db2.gz LVKRIKHFMKWDBV-BHIYHBOVSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134899860 426199568 /nfs/dbraw/zinc/19/95/68/426199568.db2.gz LVKRIKHFMKWDBV-BHIYHBOVSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134899860 426199570 /nfs/dbraw/zinc/19/95/70/426199570.db2.gz LVKRIKHFMKWDBV-BHIYHBOVSA-N 2 1 300.446 2.669 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC[N@H+]1C ZINC000151040458 426274119 /nfs/dbraw/zinc/27/41/19/426274119.db2.gz CPRANKFWHOXAJD-RDJZCZTQSA-N 2 1 315.461 2.776 20 0 DFADMP CC[NH+](CC)CC(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000086248441 426257037 /nfs/dbraw/zinc/25/70/37/426257037.db2.gz CZZAGKMBCNMBEK-CQSZACIVSA-N 2 1 314.433 2.700 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1OC(F)F ZINC000174515942 426259833 /nfs/dbraw/zinc/25/98/33/426259833.db2.gz MVGKJNXGBCSARM-YPMHNXCESA-N 2 1 314.376 2.869 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC(F)F ZINC000174515942 426259835 /nfs/dbraw/zinc/25/98/35/426259835.db2.gz MVGKJNXGBCSARM-YPMHNXCESA-N 2 1 314.376 2.869 20 0 DFADMP CC[C@@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000150743602 426260826 /nfs/dbraw/zinc/26/08/26/426260826.db2.gz JIHQOEACRYYCBT-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000119114677 426264315 /nfs/dbraw/zinc/26/43/15/426264315.db2.gz YNMRYZJUIQADCK-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000119114677 426264318 /nfs/dbraw/zinc/26/43/18/426264318.db2.gz YNMRYZJUIQADCK-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@@H]1CCC[N@H+]1Cc1ccccc1 ZINC000119114677 426264320 /nfs/dbraw/zinc/26/43/20/426264320.db2.gz YNMRYZJUIQADCK-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119114677 426264323 /nfs/dbraw/zinc/26/43/23/426264323.db2.gz YNMRYZJUIQADCK-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@@H]1CCCN1Cc1ccccc1 ZINC000119114677 426264324 /nfs/dbraw/zinc/26/43/24/426264324.db2.gz YNMRYZJUIQADCK-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174902271 426267738 /nfs/dbraw/zinc/26/77/38/426267738.db2.gz ZBTCRCOUFQDRTI-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174902271 426267739 /nfs/dbraw/zinc/26/77/39/426267739.db2.gz ZBTCRCOUFQDRTI-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(Cc2cccc(C(=O)N(C)C)c2)C1 ZINC000174953382 426270796 /nfs/dbraw/zinc/27/07/96/426270796.db2.gz MTTXZMZNBOQHNP-QGZVFWFLSA-N 2 1 317.477 2.552 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119251831 426272066 /nfs/dbraw/zinc/27/20/66/426272066.db2.gz HKHQSYMSJARPNQ-GPMSIDNRSA-N 2 1 312.461 2.750 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000151328327 426290119 /nfs/dbraw/zinc/29/01/19/426290119.db2.gz FFMICEAIVDTEBY-APWZRJJASA-N 2 1 318.461 2.509 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151328273 426290366 /nfs/dbraw/zinc/29/03/66/426290366.db2.gz FFMICEAIVDTEBY-QFBILLFUSA-N 2 1 318.461 2.509 20 0 DFADMP C/C(=C/c1ccccc1)C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000119527356 426294597 /nfs/dbraw/zinc/29/45/97/426294597.db2.gz AHSVRVQJWCSUGY-ZPHPHTNESA-N 2 1 313.489 2.803 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]([NH3+])c2ccccc2)C1 ZINC000119566215 426297340 /nfs/dbraw/zinc/29/73/40/426297340.db2.gz OABYRMVKAHSGPY-WBVHZDCISA-N 2 1 317.477 2.703 20 0 DFADMP COc1ccc(C[N@@H+](CC2CC[NH2+]CC2)[C@@H](CO)C(C)C)cc1 ZINC000339431098 268813528 /nfs/dbraw/zinc/81/35/28/268813528.db2.gz HXUFNHUABCNOMZ-IBGZPJMESA-N 2 1 320.477 2.514 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+](C)C)c1ccc(OCc2nccn2C)cc1 ZINC000151923143 426318694 /nfs/dbraw/zinc/31/86/94/426318694.db2.gz VJZLMMTUBJMSJB-OAHLLOKOSA-N 2 1 316.449 2.601 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cnc(C3CC3)s2)CC1 ZINC000121150793 426322267 /nfs/dbraw/zinc/32/22/67/426322267.db2.gz BZXJZUJJTRAZIG-ZDUSSCGKSA-N 2 1 323.506 2.545 20 0 DFADMP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002161 426323848 /nfs/dbraw/zinc/32/38/48/426323848.db2.gz JRBWWXBUXVAICS-DOTOQJQBSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002161 426323850 /nfs/dbraw/zinc/32/38/50/426323850.db2.gz JRBWWXBUXVAICS-DOTOQJQBSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002161 426323851 /nfs/dbraw/zinc/32/38/51/426323851.db2.gz JRBWWXBUXVAICS-DOTOQJQBSA-N 2 1 323.868 2.542 20 0 DFADMP CC(C)[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000090002161 426323853 /nfs/dbraw/zinc/32/38/53/426323853.db2.gz JRBWWXBUXVAICS-DOTOQJQBSA-N 2 1 323.868 2.542 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000090523897 426326986 /nfs/dbraw/zinc/32/69/86/426326986.db2.gz BCQMAWOLGGFCJC-WBAXXEDZSA-N 2 1 303.450 2.500 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccsc3)CC2)CC[N@@H+]1C ZINC000121238698 426327480 /nfs/dbraw/zinc/32/74/80/426327480.db2.gz QVWHZZMDJVYNFJ-WMLDXEAASA-N 2 1 307.507 2.785 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(Cc3ccsc3)CC2)CC[N@H+]1C ZINC000121238698 426327484 /nfs/dbraw/zinc/32/74/84/426327484.db2.gz QVWHZZMDJVYNFJ-WMLDXEAASA-N 2 1 307.507 2.785 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000090936171 426332978 /nfs/dbraw/zinc/33/29/78/426332978.db2.gz XNHRWXMRJZXOPD-WVATUKLVSA-N 2 1 314.832 2.831 20 0 DFADMP CC1CCN(CC[N@H+]2CC[C@H](CNc3ccccn3)C2)CC1 ZINC000153676032 426398693 /nfs/dbraw/zinc/39/86/93/426398693.db2.gz UGMRLJHTAXJSIP-QGZVFWFLSA-N 2 1 302.466 2.547 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000152655411 426349222 /nfs/dbraw/zinc/34/92/22/426349222.db2.gz DREWNZNICYQTSZ-WFASDCNBSA-N 2 1 323.868 2.907 20 0 DFADMP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC1CC1 ZINC000176112793 426352438 /nfs/dbraw/zinc/35/24/38/426352438.db2.gz VGHOUVBXQGFBSZ-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)[N@@H+](C)CCNC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000176108025 426352944 /nfs/dbraw/zinc/35/29/44/426352944.db2.gz FAHRZWOFERWLHH-UHFFFAOYSA-N 2 1 315.421 2.549 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC1 ZINC000121989352 426356265 /nfs/dbraw/zinc/35/62/65/426356265.db2.gz OOYLWKQUTDOOFU-GJZGRUSLSA-N 2 1 311.470 2.506 20 0 DFADMP CCCC[C@@H](COC)[NH2+]C1CC[NH+](CCc2ccncc2)CC1 ZINC000152861734 426358887 /nfs/dbraw/zinc/35/88/87/426358887.db2.gz YGDJMCOLUZTINK-IBGZPJMESA-N 2 1 319.493 2.883 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC000122216425 426364184 /nfs/dbraw/zinc/36/41/84/426364184.db2.gz XHSOOAGLSHKVRW-CQSZACIVSA-N 2 1 324.469 2.509 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2nnc(C)o2)CC1 ZINC000122216425 426364187 /nfs/dbraw/zinc/36/41/87/426364187.db2.gz XHSOOAGLSHKVRW-CQSZACIVSA-N 2 1 324.469 2.509 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cncs1 ZINC000122317240 426369577 /nfs/dbraw/zinc/36/95/77/426369577.db2.gz ITLHIZCWBXJDSG-CYBMUJFWSA-N 2 1 305.447 2.934 20 0 DFADMP CC(C)CSCCC[N@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000153521392 426389866 /nfs/dbraw/zinc/38/98/66/426389866.db2.gz XDBNWYAPTDCQJQ-QGZVFWFLSA-N 2 1 314.539 2.810 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000122721971 426390391 /nfs/dbraw/zinc/39/03/91/426390391.db2.gz ZPNYAMKXRKBFSY-KOLCDFICSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1csc(Br)c1 ZINC000122721971 426390395 /nfs/dbraw/zinc/39/03/95/426390395.db2.gz ZPNYAMKXRKBFSY-KOLCDFICSA-N 2 1 303.269 2.940 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000340353139 268968583 /nfs/dbraw/zinc/96/85/83/268968583.db2.gz YUECMLOAYXJVHZ-YJBOKZPZSA-N 2 1 320.477 2.546 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000154074722 426423242 /nfs/dbraw/zinc/42/32/42/426423242.db2.gz KJCXSWGOAPGEMO-RKVPGOIHSA-N 2 1 306.450 2.530 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000154075011 426423572 /nfs/dbraw/zinc/42/35/72/426423572.db2.gz KJCXSWGOAPGEMO-RVKKMQEKSA-N 2 1 306.450 2.530 20 0 DFADMP CCC(O)(CC)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000123307953 426426735 /nfs/dbraw/zinc/42/67/35/426426735.db2.gz ANXVNBQQPMFSHF-UHFFFAOYSA-N 2 1 304.478 2.834 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCCOc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000123527835 426439310 /nfs/dbraw/zinc/43/93/10/426439310.db2.gz LCUMMCHOTLRVBV-LSDHHAIUSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CCCOc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000123527835 426439314 /nfs/dbraw/zinc/43/93/14/426439314.db2.gz LCUMMCHOTLRVBV-LSDHHAIUSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCCOc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123527835 426439318 /nfs/dbraw/zinc/43/93/18/426439318.db2.gz LCUMMCHOTLRVBV-LSDHHAIUSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCCOc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123527835 426439321 /nfs/dbraw/zinc/43/93/21/426439321.db2.gz LCUMMCHOTLRVBV-LSDHHAIUSA-N 2 1 320.433 2.599 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2ccc3c(c2)OCO3)CC[N@@H+]1C ZINC000123528058 426439613 /nfs/dbraw/zinc/43/96/13/426439613.db2.gz LCUMMCHOTLRVBV-CABCVRRESA-N 2 1 320.433 2.599 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCCOc2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000123528058 426439614 /nfs/dbraw/zinc/43/96/14/426439614.db2.gz LCUMMCHOTLRVBV-CABCVRRESA-N 2 1 320.433 2.599 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCCOc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123528058 426439617 /nfs/dbraw/zinc/43/96/17/426439617.db2.gz LCUMMCHOTLRVBV-CABCVRRESA-N 2 1 320.433 2.599 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCCOc2ccc3c(c2)OCO3)CC[NH+]1C ZINC000123528058 426439620 /nfs/dbraw/zinc/43/96/20/426439620.db2.gz LCUMMCHOTLRVBV-CABCVRRESA-N 2 1 320.433 2.599 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2OC)CC1 ZINC000154480212 426442665 /nfs/dbraw/zinc/44/26/65/426442665.db2.gz YWBFSOGFGPZZNB-QGZVFWFLSA-N 2 1 319.493 2.764 20 0 DFADMP CC[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000154529758 426444342 /nfs/dbraw/zinc/44/43/42/426444342.db2.gz OYCBGMACHAJABL-GOSISDBHSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@]1(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700970 269001358 /nfs/dbraw/zinc/00/13/58/269001358.db2.gz KDRYUINXRNNZPK-OALUTQOASA-N 2 1 302.462 2.748 20 0 DFADMP C[C@@]1(C[N@H+]2CC[C@H](OCCCc3ccccc3)C2)CC[NH2+]C1 ZINC000340706158 269002262 /nfs/dbraw/zinc/00/22/62/269002262.db2.gz GFSPNZXDDUEVOI-RBUKOAKNSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@@]1(C)CC[NH2+]C1 ZINC000340712827 269002992 /nfs/dbraw/zinc/00/29/92/269002992.db2.gz SWQJMBCGSDNVEB-IBGZPJMESA-N 2 1 312.461 2.941 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2cc(OC)ccc21 ZINC000153783224 426406937 /nfs/dbraw/zinc/40/69/37/426406937.db2.gz VZRMKQZAFMHHCR-GOSISDBHSA-N 2 1 306.450 2.631 20 0 DFADMP CC(C)C[C@@H](CNC1CC[NH+](Cc2ccccn2)CC1)[NH+](C)C ZINC000341438524 269077027 /nfs/dbraw/zinc/07/70/27/269077027.db2.gz FPYVWJGNXVJIBH-IBGZPJMESA-N 2 1 318.509 2.612 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCOC)CC1)c1ccc2c(c1)CCO2 ZINC000154835773 426457090 /nfs/dbraw/zinc/45/70/90/426457090.db2.gz BEDIOYHEDDSWJD-GOSISDBHSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000124265869 426477503 /nfs/dbraw/zinc/47/75/03/426477503.db2.gz CPJWZOFVTKKBQC-LBDPXKHJSA-N 2 1 310.482 2.959 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000124265869 426477506 /nfs/dbraw/zinc/47/75/06/426477506.db2.gz CPJWZOFVTKKBQC-LBDPXKHJSA-N 2 1 310.482 2.959 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000098143632 426480107 /nfs/dbraw/zinc/48/01/07/426480107.db2.gz SOWAZCYLBWFTHP-HKUYNNGSSA-N 2 1 302.462 2.746 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000124377551 426482793 /nfs/dbraw/zinc/48/27/93/426482793.db2.gz XGPWJWRIEFMLSM-UONOGXRCSA-N 2 1 302.418 2.593 20 0 DFADMP Cc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1C ZINC000177778647 426517473 /nfs/dbraw/zinc/51/74/73/426517473.db2.gz YFGBIZOLDGAVDZ-UHFFFAOYSA-N 2 1 301.478 2.517 20 0 DFADMP C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)c1sccc1C[NH+](C)C ZINC000288314839 426519174 /nfs/dbraw/zinc/51/91/74/426519174.db2.gz IREIMQBKSNPSBN-DZGCQCFKSA-N 2 1 321.490 2.509 20 0 DFADMP CC(C)OCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000280258432 426533642 /nfs/dbraw/zinc/53/36/42/426533642.db2.gz CGHPCNVVEFVLMP-KDURUIRLSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000280258432 426533646 /nfs/dbraw/zinc/53/36/46/426533646.db2.gz CGHPCNVVEFVLMP-KDURUIRLSA-N 2 1 302.462 2.865 20 0 DFADMP OCc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000272498599 426540328 /nfs/dbraw/zinc/54/03/28/426540328.db2.gz NQXOYQPRFCTPEZ-IEBWSBKVSA-N 2 1 300.446 2.628 20 0 DFADMP OCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)cc1 ZINC000272498599 426540335 /nfs/dbraw/zinc/54/03/35/426540335.db2.gz NQXOYQPRFCTPEZ-IEBWSBKVSA-N 2 1 300.446 2.628 20 0 DFADMP OCc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)cc1 ZINC000272498599 426540340 /nfs/dbraw/zinc/54/03/40/426540340.db2.gz NQXOYQPRFCTPEZ-IEBWSBKVSA-N 2 1 300.446 2.628 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)cc1)C(C)C ZINC000272511199 426544805 /nfs/dbraw/zinc/54/48/05/426544805.db2.gz GHDHFBZUBDPYHB-HZPDHXFCSA-N 2 1 317.477 2.739 20 0 DFADMP Cc1cncc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)c1 ZINC000280321748 426548547 /nfs/dbraw/zinc/54/85/47/426548547.db2.gz GTPRNNNAPYPLII-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)C12CCOCC2 ZINC000186234729 426495893 /nfs/dbraw/zinc/49/58/93/426495893.db2.gz OJXDFLUBRPHHGE-RCCFBDPRSA-N 2 1 324.509 2.671 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195138593 426501789 /nfs/dbraw/zinc/50/17/89/426501789.db2.gz HVCBCXRSRLBUMO-IEBWSBKVSA-N 2 1 324.472 2.909 20 0 DFADMP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195138604 426502285 /nfs/dbraw/zinc/50/22/85/426502285.db2.gz HVCBCXRSRLBUMO-MJGOQNOKSA-N 2 1 324.472 2.909 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000186621197 426565584 /nfs/dbraw/zinc/56/55/84/426565584.db2.gz YZHZQNHOFXSQTC-LLVKDONJSA-N 2 1 323.238 2.775 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)c1cn[nH]c1 ZINC000272602687 426569610 /nfs/dbraw/zinc/56/96/10/426569610.db2.gz URUICGMQZVVDJR-OYSPMZIOSA-N 2 1 310.445 2.971 20 0 DFADMP CC[NH+](CC)CCOCC[N@@H+](CCCCO)Cc1ccccc1 ZINC000273056605 426583422 /nfs/dbraw/zinc/58/34/22/426583422.db2.gz LMQKUTPXYMFTOY-UHFFFAOYSA-N 2 1 322.493 2.620 20 0 DFADMP Cc1csc(N2CCN(CCCc3cnccc3C)CC2)n1 ZINC000289104446 426583611 /nfs/dbraw/zinc/58/36/11/426583611.db2.gz MHAIKBJFIYKSLM-UHFFFAOYSA-N 2 1 316.474 2.910 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000178316421 426603758 /nfs/dbraw/zinc/60/37/58/426603758.db2.gz UAZLHTPUBFAXQS-CJNGLKHVSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000178316421 426603763 /nfs/dbraw/zinc/60/37/63/426603763.db2.gz UAZLHTPUBFAXQS-CJNGLKHVSA-N 2 1 321.371 2.668 20 0 DFADMP C[N@H+](CCO)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000265256323 426606241 /nfs/dbraw/zinc/60/62/41/426606241.db2.gz ULBHYTRQSHFSLQ-UHFFFAOYSA-N 2 1 312.457 2.771 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+](CCc2ccc3ccccc3c2)CC1 ZINC000265256323 426606244 /nfs/dbraw/zinc/60/62/44/426606244.db2.gz ULBHYTRQSHFSLQ-UHFFFAOYSA-N 2 1 312.457 2.771 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000273172680 426606373 /nfs/dbraw/zinc/60/63/73/426606373.db2.gz MQESXWOPPKNTCH-IAGOWNOFSA-N 2 1 320.477 2.809 20 0 DFADMP COCCOc1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000289270377 426617857 /nfs/dbraw/zinc/61/78/57/426617857.db2.gz GHHNSVMXOXAXSM-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP COCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000289270377 426617862 /nfs/dbraw/zinc/61/78/62/426617862.db2.gz GHHNSVMXOXAXSM-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP COCCOc1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000289270377 426617867 /nfs/dbraw/zinc/61/78/67/426617867.db2.gz GHHNSVMXOXAXSM-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3C[C@@H]4OCCC[C@H]34)CC2)cc1 ZINC000186996201 426618486 /nfs/dbraw/zinc/61/84/86/426618486.db2.gz FRBVEIGJGUBCGX-AQNXPRMDSA-N 2 1 314.473 2.851 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000272580047 426564698 /nfs/dbraw/zinc/56/46/98/426564698.db2.gz VBLZRYCDMGCJPB-BZZMCLGOSA-N 2 1 302.462 2.646 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000272580047 426564701 /nfs/dbraw/zinc/56/47/01/426564701.db2.gz VBLZRYCDMGCJPB-BZZMCLGOSA-N 2 1 302.462 2.646 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc1 ZINC000273279642 426633720 /nfs/dbraw/zinc/63/37/20/426633720.db2.gz NROBVHCIBMBFMV-CABCVRRESA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc1 ZINC000273279642 426633722 /nfs/dbraw/zinc/63/37/22/426633722.db2.gz NROBVHCIBMBFMV-CABCVRRESA-N 2 1 303.450 2.833 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000178477970 426637446 /nfs/dbraw/zinc/63/74/46/426637446.db2.gz HJLJIAXDPDAXIR-YOEHRIQHSA-N 2 1 303.450 2.853 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000289365972 426638760 /nfs/dbraw/zinc/63/87/60/426638760.db2.gz ZRWHGRQXYXBOPY-MLGOLLRUSA-N 2 1 304.409 2.896 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)C1 ZINC000178511066 426644977 /nfs/dbraw/zinc/64/49/77/426644977.db2.gz HXBYOIBAEXOJHZ-ZSDSOXJFSA-N 2 1 308.491 2.807 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000289412430 426649761 /nfs/dbraw/zinc/64/97/61/426649761.db2.gz AJRKTOFAIUJZFD-SFHVURJKSA-N 2 1 312.461 2.812 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000289412430 426649765 /nfs/dbraw/zinc/64/97/65/426649765.db2.gz AJRKTOFAIUJZFD-SFHVURJKSA-N 2 1 312.461 2.812 20 0 DFADMP CCOC(=O)c1c[nH+]ccc1NC1CC[NH+](C(C)(C)C)CC1 ZINC000280765580 426651439 /nfs/dbraw/zinc/65/14/39/426651439.db2.gz RFKPJRMVPFOATL-UHFFFAOYSA-N 2 1 305.422 2.933 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[N@@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000289447622 426661153 /nfs/dbraw/zinc/66/11/53/426661153.db2.gz UMLXKMVDXVGHTD-KVSKMBFKSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[N@H+](C[C@H](O)C[NH+](C)C3CC3)C2)cc1 ZINC000289447622 426661157 /nfs/dbraw/zinc/66/11/57/426661157.db2.gz UMLXKMVDXVGHTD-KVSKMBFKSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[NH+](C[C@H](O)C[N@H+](C)C3CC3)C2)cc1 ZINC000289447622 426661161 /nfs/dbraw/zinc/66/11/61/426661161.db2.gz UMLXKMVDXVGHTD-KVSKMBFKSA-N 2 1 302.462 2.628 20 0 DFADMP Cc1ccc([C@@H]2C[C@H](C)[NH+](C[C@H](O)C[N@@H+](C)C3CC3)C2)cc1 ZINC000289447622 426661166 /nfs/dbraw/zinc/66/11/66/426661166.db2.gz UMLXKMVDXVGHTD-KVSKMBFKSA-N 2 1 302.462 2.628 20 0 DFADMP C[C@@H]1CN(C(=O)OC(C)(C)C)C[C@H](C)[N@@H+]1CCCn1ccnc1 ZINC000187452952 426663159 /nfs/dbraw/zinc/66/31/59/426663159.db2.gz MZMYPCKCLDNQTE-GASCZTMLSA-N 2 1 322.453 2.603 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1)C1CC1 ZINC000289499052 426667975 /nfs/dbraw/zinc/66/79/75/426667975.db2.gz KIMHCQNGQXRDLK-SFHVURJKSA-N 2 1 302.462 2.587 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1)C1CC1 ZINC000289499052 426667981 /nfs/dbraw/zinc/66/79/81/426667981.db2.gz KIMHCQNGQXRDLK-SFHVURJKSA-N 2 1 302.462 2.587 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236724108 426680032 /nfs/dbraw/zinc/68/00/32/426680032.db2.gz DDLUMGJIEHVIOV-JQHSSLGASA-N 2 1 317.477 2.529 20 0 DFADMP Cc1ccncc1CCC[N@H+](C)[C@@H]1CCCC[C@H]1S(C)(=O)=O ZINC000290049835 426681456 /nfs/dbraw/zinc/68/14/56/426681456.db2.gz OPNGRFMERKHQFN-IAGOWNOFSA-N 2 1 324.490 2.610 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000236764580 426684201 /nfs/dbraw/zinc/68/42/01/426684201.db2.gz MRDFOSOAYWUGIT-QZTJIDSGSA-N 2 1 317.477 2.800 20 0 DFADMP C[C@H](NC[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000289303599 426623888 /nfs/dbraw/zinc/62/38/88/426623888.db2.gz CXNSPUPQBNPXMQ-GXFFZTMASA-N 2 1 300.805 2.585 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)CN(C)C1CC1)c1ccc(F)c(Cl)c1 ZINC000289303599 426623890 /nfs/dbraw/zinc/62/38/90/426623890.db2.gz CXNSPUPQBNPXMQ-GXFFZTMASA-N 2 1 300.805 2.585 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCCC2)cc1NC(C)=O ZINC000178413980 426623849 /nfs/dbraw/zinc/62/38/49/426623849.db2.gz YRCYYCRJKQUVNZ-CQSZACIVSA-N 2 1 319.449 2.790 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000178845971 426707255 /nfs/dbraw/zinc/70/72/55/426707255.db2.gz QPJXHIGEFNLIFO-DCGLDWPTSA-N 2 1 314.433 2.731 20 0 DFADMP C[N@@H+](C[C@H](O)C(C)(C)C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290192392 426714845 /nfs/dbraw/zinc/71/48/45/426714845.db2.gz GASRYCWVAYZLMQ-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290192392 426714849 /nfs/dbraw/zinc/71/48/49/426714849.db2.gz GASRYCWVAYZLMQ-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@H](O)C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290192392 426714855 /nfs/dbraw/zinc/71/48/55/426714855.db2.gz GASRYCWVAYZLMQ-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cccnc2N)C1 ZINC000290109155 426695333 /nfs/dbraw/zinc/69/53/33/426695333.db2.gz SPIUTZBCCLATHQ-CVEARBPZSA-N 2 1 302.466 2.750 20 0 DFADMP Cc1nccn1CCCC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000179264361 426773500 /nfs/dbraw/zinc/77/35/00/426773500.db2.gz SBNSTYMOYDUXSN-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H]1COc2ccccc2O1 ZINC000179264361 426773507 /nfs/dbraw/zinc/77/35/07/426773507.db2.gz SBNSTYMOYDUXSN-MRXNPFEDSA-N 2 1 315.417 2.744 20 0 DFADMP O=C(c1ccc(F)cc1)[C@@H]1CCC[N@@H+](CC2CC[NH2+]CC2)C1 ZINC000178974661 426730380 /nfs/dbraw/zinc/73/03/80/426730380.db2.gz PTKGIGJXNCVWGS-MRXNPFEDSA-N 2 1 304.409 2.720 20 0 DFADMP CSC[C@H](O)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188232478 426734050 /nfs/dbraw/zinc/73/40/50/426734050.db2.gz GOASYOYVCZUOQJ-BLLLJJGKSA-N 2 1 305.447 2.555 20 0 DFADMP CSC[C@H](O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000188232455 426734674 /nfs/dbraw/zinc/73/46/74/426734674.db2.gz GOASYOYVCZUOQJ-MLGOLLRUSA-N 2 1 305.447 2.555 20 0 DFADMP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C[C@@H](O)C[NH+]1CCCCC1 ZINC000245509937 426746470 /nfs/dbraw/zinc/74/64/70/426746470.db2.gz VJSCLHDXSCPPJC-NUJGCVRESA-N 2 1 302.462 2.980 20 0 DFADMP Cc1cc(NC2CC[NH+](CC(=O)Nc3ccccc3)CC2)cc[nH+]1 ZINC000274378078 426756848 /nfs/dbraw/zinc/75/68/48/426756848.db2.gz RXKPLBPYICKMCY-UHFFFAOYSA-N 2 1 324.428 2.905 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245977634 426789360 /nfs/dbraw/zinc/78/93/60/426789360.db2.gz OXXZDTVCHACCGS-MWNCTCPHSA-N 2 1 323.868 2.575 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000245977634 426789364 /nfs/dbraw/zinc/78/93/64/426789364.db2.gz OXXZDTVCHACCGS-MWNCTCPHSA-N 2 1 323.868 2.575 20 0 DFADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)cc(OC)c1 ZINC000290610932 426804718 /nfs/dbraw/zinc/80/47/18/426804718.db2.gz WMVCEHXXMYDRND-CRAIPNDOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cc(OC)c1 ZINC000290610932 426804723 /nfs/dbraw/zinc/80/47/23/426804723.db2.gz WMVCEHXXMYDRND-CRAIPNDOSA-N 2 1 304.434 2.620 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)CCCn2ccnc2)cn1 ZINC000290626930 426806188 /nfs/dbraw/zinc/80/61/88/426806188.db2.gz XOSICRXABYYDCO-UHFFFAOYSA-N 2 1 301.438 2.645 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1cccc2c1OCCCO2 ZINC000290624840 426807606 /nfs/dbraw/zinc/80/76/06/426807606.db2.gz XNCIIBCSSPYLAI-UHFFFAOYSA-N 2 1 301.390 2.567 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000246242352 426813077 /nfs/dbraw/zinc/81/30/77/426813077.db2.gz IWPKRASTKNEBTJ-RDJZCZTQSA-N 2 1 315.461 2.857 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC(C)(C)c3ccccc3)C2)CC1 ZINC000180069037 426834094 /nfs/dbraw/zinc/83/40/94/426834094.db2.gz ZQZKWPPQOVLXGA-LJQANCHMSA-N 2 1 315.505 2.676 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]C3CC[NH+](C4CC4)CC3)s2)cn1 ZINC000282134775 426835663 /nfs/dbraw/zinc/83/56/63/426835663.db2.gz AFANTFHATWHYGJ-UHFFFAOYSA-N 2 1 316.474 2.865 20 0 DFADMP CN(C)c1cc(NC(=O)c2cccc(C[NH+]3CCCC3)c2)cc[nH+]1 ZINC000267198016 426844252 /nfs/dbraw/zinc/84/42/52/426844252.db2.gz DNRMEXZOWAAUPG-UHFFFAOYSA-N 2 1 324.428 2.996 20 0 DFADMP CC[NH+]1CCC(NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC1 ZINC000274824316 426845122 /nfs/dbraw/zinc/84/51/22/426845122.db2.gz ZFEXLEFKCFGZRF-FQEVSTJZSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@H]1CCC[NH+]1C ZINC000246566123 426845221 /nfs/dbraw/zinc/84/52/21/426845221.db2.gz AXWUEFVYPVULAQ-NVXWUHKLSA-N 2 1 313.449 2.744 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[NH+](C)CC[C@H]1CCC[N@@H+]1C ZINC000246566123 426845225 /nfs/dbraw/zinc/84/52/25/426845225.db2.gz AXWUEFVYPVULAQ-NVXWUHKLSA-N 2 1 313.449 2.744 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[NH+](C)CC[C@H]1CCC[N@H+]1C ZINC000246566123 426845230 /nfs/dbraw/zinc/84/52/30/426845230.db2.gz AXWUEFVYPVULAQ-NVXWUHKLSA-N 2 1 313.449 2.744 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563554 426792125 /nfs/dbraw/zinc/79/21/25/426792125.db2.gz SLZXGORMCGBFLE-RBUKOAKNSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563554 426792129 /nfs/dbraw/zinc/79/21/29/426792129.db2.gz SLZXGORMCGBFLE-RBUKOAKNSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563554 426792134 /nfs/dbraw/zinc/79/21/34/426792134.db2.gz SLZXGORMCGBFLE-RBUKOAKNSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cccc4c3OCO4)C2)CC1 ZINC000290553585 426793750 /nfs/dbraw/zinc/79/37/50/426793750.db2.gz RXODVQBSVAPOKJ-OAHLLOKOSA-N 2 1 302.418 2.579 20 0 DFADMP CSc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000266913528 426794082 /nfs/dbraw/zinc/79/40/82/426794082.db2.gz WXMHQBPPEMIHPV-AWEZNQCLSA-N 2 1 308.491 2.906 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000246731320 426859871 /nfs/dbraw/zinc/85/98/71/426859871.db2.gz YIJLPRNYAFTYRX-XDNAFOTISA-N 2 1 321.509 2.678 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246734065 426860999 /nfs/dbraw/zinc/86/09/99/426860999.db2.gz OXVBAWACOXRAQW-MAUKXSAKSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246734065 426861003 /nfs/dbraw/zinc/86/10/03/426861003.db2.gz OXVBAWACOXRAQW-MAUKXSAKSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(OC)c2)[C@@H](C)C1 ZINC000246734065 426861008 /nfs/dbraw/zinc/86/10/08/426861008.db2.gz OXVBAWACOXRAQW-MAUKXSAKSA-N 2 1 306.450 2.736 20 0 DFADMP Cc1cnc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)s1 ZINC000180526160 426865928 /nfs/dbraw/zinc/86/59/28/426865928.db2.gz AVQIVPIDPIAMQH-UHFFFAOYSA-N 2 1 309.479 2.528 20 0 DFADMP C[C@H](CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000180521190 426866138 /nfs/dbraw/zinc/86/61/38/426866138.db2.gz PKNLMTQTHUPQPB-APIJFGDWSA-N 2 1 313.486 2.608 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)CC[N@@H+]1C ZINC000189503704 426873747 /nfs/dbraw/zinc/87/37/47/426873747.db2.gz HKIRBFGTJILFJY-GHMZBOCLSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)CC[N@H+]1C ZINC000189503704 426873749 /nfs/dbraw/zinc/87/37/49/426873749.db2.gz HKIRBFGTJILFJY-GHMZBOCLSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCOCC(F)(F)C(F)(F)F)CC[NH+]1C ZINC000189503704 426873753 /nfs/dbraw/zinc/87/37/53/426873753.db2.gz HKIRBFGTJILFJY-GHMZBOCLSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCOCC(F)(F)C(F)(F)F)CC[NH+]1C ZINC000189503704 426873756 /nfs/dbraw/zinc/87/37/56/426873756.db2.gz HKIRBFGTJILFJY-GHMZBOCLSA-N 2 1 318.330 2.615 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000282328243 426883871 /nfs/dbraw/zinc/88/38/71/426883871.db2.gz OAHLHVKHSDOYAY-GOSISDBHSA-N 2 1 318.509 2.784 20 0 DFADMP CSC[C@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000305137465 426884682 /nfs/dbraw/zinc/88/46/82/426884682.db2.gz LIRNISQVHNWNSV-BBRMVZONSA-N 2 1 319.474 2.945 20 0 DFADMP O[C@H]1CCC[C@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000305130817 426885222 /nfs/dbraw/zinc/88/52/22/426885222.db2.gz JVBXYBZSXKNHOR-ICSRJNTNSA-N 2 1 316.489 2.834 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000180753649 426885688 /nfs/dbraw/zinc/88/56/88/426885688.db2.gz UIGXVPZXKKXJCU-UHFFFAOYSA-N 2 1 311.514 2.687 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282345320 426885827 /nfs/dbraw/zinc/88/58/27/426885827.db2.gz PAFAQLGWXYHTAN-IBGZPJMESA-N 2 1 317.521 2.932 20 0 DFADMP CCSc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282357574 426890531 /nfs/dbraw/zinc/89/05/31/426890531.db2.gz NBKPXBMMLHSCMV-UHFFFAOYSA-N 2 1 321.534 2.914 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000268144575 426925662 /nfs/dbraw/zinc/92/56/62/426925662.db2.gz QLTQTCSACDEBNZ-KGLIPLIRSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000268144575 426925671 /nfs/dbraw/zinc/92/56/71/426925671.db2.gz QLTQTCSACDEBNZ-KGLIPLIRSA-N 2 1 323.506 2.660 20 0 DFADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000247112586 426905457 /nfs/dbraw/zinc/90/54/57/426905457.db2.gz TYOPSGNJAWNZRL-YFHUEUNASA-N 2 1 301.478 2.756 20 0 DFADMP CC(C)Oc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282417401 426905846 /nfs/dbraw/zinc/90/58/46/426905846.db2.gz QOQCZSQWBHAUOM-UHFFFAOYSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@H](c1cccnc1)N1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000268071360 426905810 /nfs/dbraw/zinc/90/58/10/426905810.db2.gz CKZXMHDDMYXICD-IEBWSBKVSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@H](c1cccnc1)[NH+]1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000268071360 426905816 /nfs/dbraw/zinc/90/58/16/426905816.db2.gz CKZXMHDDMYXICD-IEBWSBKVSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@H](c1cccnc1)[NH+]1CCN(CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000268071360 426905821 /nfs/dbraw/zinc/90/58/21/426905821.db2.gz CKZXMHDDMYXICD-IEBWSBKVSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000247168637 426909925 /nfs/dbraw/zinc/90/99/25/426909925.db2.gz YHJZYVFFDZJPND-NRXGSXMXSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000247168637 426909933 /nfs/dbraw/zinc/90/99/33/426909933.db2.gz YHJZYVFFDZJPND-NRXGSXMXSA-N 2 1 316.445 2.981 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000316209073 426946803 /nfs/dbraw/zinc/94/68/03/426946803.db2.gz QKOMLSAUMIHZFH-KRWDZBQOSA-N 2 1 311.514 2.576 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C(C)(C)C)n1 ZINC000317113008 426956413 /nfs/dbraw/zinc/95/64/13/426956413.db2.gz LFCQSBJRJAAFOL-GDBMZVCRSA-N 2 1 304.482 2.682 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C(C)(C)C)n1 ZINC000317113008 426956418 /nfs/dbraw/zinc/95/64/18/426956418.db2.gz LFCQSBJRJAAFOL-GDBMZVCRSA-N 2 1 304.482 2.682 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)CC[N@@H+]1C ZINC000181539977 426961782 /nfs/dbraw/zinc/96/17/82/426961782.db2.gz NUPQDMXHMDZHRN-NWDGAFQWSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ncccc2C(F)(F)F)CC[N@H+]1C ZINC000181539977 426961790 /nfs/dbraw/zinc/96/17/90/426961790.db2.gz NUPQDMXHMDZHRN-NWDGAFQWSA-N 2 1 317.355 2.552 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)C[NH+](C)C ZINC000291804124 426994385 /nfs/dbraw/zinc/99/43/85/426994385.db2.gz XOJKIZCGURWZFA-LMMKCTJWSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H](C[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1)C[NH+](C)C ZINC000291804124 426994389 /nfs/dbraw/zinc/99/43/89/426994389.db2.gz XOJKIZCGURWZFA-LMMKCTJWSA-N 3 1 303.494 2.827 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684205 426930673 /nfs/dbraw/zinc/93/06/73/426930673.db2.gz AMMLDWQWFGDERW-ZIAGYGMSSA-N 2 1 308.388 2.640 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684205 426930680 /nfs/dbraw/zinc/93/06/80/426930680.db2.gz AMMLDWQWFGDERW-ZIAGYGMSSA-N 2 1 308.388 2.640 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684205 426930683 /nfs/dbraw/zinc/93/06/83/426930683.db2.gz AMMLDWQWFGDERW-ZIAGYGMSSA-N 2 1 308.388 2.640 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCC[C@](O)(C(F)(F)F)CC1 ZINC000314684205 426930687 /nfs/dbraw/zinc/93/06/87/426930687.db2.gz AMMLDWQWFGDERW-ZIAGYGMSSA-N 2 1 308.388 2.640 20 0 DFADMP CCCC[C@@H](C(=O)OC)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247428848 426937024 /nfs/dbraw/zinc/93/70/24/426937024.db2.gz VYIXLFCFBHWIPW-HOTGVXAUSA-N 2 1 319.449 2.856 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000316198873 426943279 /nfs/dbraw/zinc/94/32/79/426943279.db2.gz PEYLDEWWXWFIFF-CVEARBPZSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000316198873 426943286 /nfs/dbraw/zinc/94/32/86/426943286.db2.gz PEYLDEWWXWFIFF-CVEARBPZSA-N 2 1 304.434 2.538 20 0 DFADMP CCC(=O)CC[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000190269514 427060491 /nfs/dbraw/zinc/06/04/91/427060491.db2.gz SMPZEVYXXCTWBS-IYBDPMFKSA-N 2 1 310.482 2.567 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)N1CCCC[C@H]1c1ncc[nH]1 ZINC000328792007 426999317 /nfs/dbraw/zinc/99/93/17/426999317.db2.gz RFDTXIIOURXVFN-GJZGRUSLSA-N 2 1 304.438 2.728 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000248508752 427007527 /nfs/dbraw/zinc/00/75/27/427007527.db2.gz YIDWBFWTBWPIEA-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248613400 427020574 /nfs/dbraw/zinc/02/05/74/427020574.db2.gz YDFGPSOEFIFEMV-OALUTQOASA-N 2 1 304.478 2.644 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248613400 427020577 /nfs/dbraw/zinc/02/05/77/427020577.db2.gz YDFGPSOEFIFEMV-OALUTQOASA-N 2 1 304.478 2.644 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248617728 427022168 /nfs/dbraw/zinc/02/21/68/427022168.db2.gz ZKTBVMFSBJNWJX-PMPSAXMXSA-N 2 1 323.525 2.922 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248617728 427022173 /nfs/dbraw/zinc/02/21/73/427022173.db2.gz ZKTBVMFSBJNWJX-PMPSAXMXSA-N 2 1 323.525 2.922 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CCCC1 ZINC000182269475 427044613 /nfs/dbraw/zinc/04/46/13/427044613.db2.gz YSBSZJQPUZGYJH-KXBFYZLASA-N 2 1 302.462 2.922 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCC[C@@H]2CCCF)CC1 ZINC000337990640 427079953 /nfs/dbraw/zinc/07/99/53/427079953.db2.gz DMMFGHSDWMXTDX-MSOLQXFVSA-N 2 1 313.505 2.768 20 0 DFADMP Cc1nccn1CCC[N@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296118927 427080693 /nfs/dbraw/zinc/08/06/93/427080693.db2.gz FKPMIMIVCCYJEU-INIZCTEOSA-N 2 1 307.825 2.900 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](CO)c1ccc(Cl)cc1 ZINC000296118927 427080698 /nfs/dbraw/zinc/08/06/98/427080698.db2.gz FKPMIMIVCCYJEU-INIZCTEOSA-N 2 1 307.825 2.900 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249107565 427087364 /nfs/dbraw/zinc/08/73/64/427087364.db2.gz VPJFXNZMYINOOU-ILXRZTDVSA-N 2 1 303.450 2.840 20 0 DFADMP C[C@@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000292098313 427087921 /nfs/dbraw/zinc/08/79/21/427087921.db2.gz OAMDRMBQHIFCAX-WMZOPIPTSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@H](CNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C)[N@H+]1CCCC[C@H]1C ZINC000338002917 427088356 /nfs/dbraw/zinc/08/83/56/427088356.db2.gz SSDWUOKPPAZSFT-HHARLNAUSA-N 2 1 309.498 2.627 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CC[C@@H](Cc2ccccc2)C1 ZINC000249139533 427091863 /nfs/dbraw/zinc/09/18/63/427091863.db2.gz VLKJHRUCGRMXGB-RBUKOAKNSA-N 2 1 304.478 2.956 20 0 DFADMP Cc1ccc2c(CN3CC[C@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1 ZINC000292116401 427094524 /nfs/dbraw/zinc/09/45/24/427094524.db2.gz JQPIRQQEQHPUQD-IBGZPJMESA-N 2 1 312.413 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CCC[C@@H](C(F)(F)F)C2)CC[N@H+]1C ZINC000249185139 427095030 /nfs/dbraw/zinc/09/50/30/427095030.db2.gz KDMHZRUCDWJARW-AAVRWANBSA-N 2 1 308.388 2.542 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCCN(Cc2ccccc2)C1 ZINC000338017774 427095506 /nfs/dbraw/zinc/09/55/06/427095506.db2.gz MCZRBHFIDQKMSW-LJQANCHMSA-N 2 1 312.461 2.836 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292118963 427096538 /nfs/dbraw/zinc/09/65/38/427096538.db2.gz HNYRKLCOOQGNHQ-HNNXBMFYSA-N 2 1 316.424 2.931 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCN(c2cccc(F)c2)C[C@@H]1C ZINC000292118963 427096547 /nfs/dbraw/zinc/09/65/47/427096547.db2.gz HNYRKLCOOQGNHQ-HNNXBMFYSA-N 2 1 316.424 2.931 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC[C@@H](C(F)(F)F)C1 ZINC000249209224 427098227 /nfs/dbraw/zinc/09/82/27/427098227.db2.gz XFEMXRRZSYQHTL-APIJFGDWSA-N 2 1 320.399 2.686 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC000249385583 427109506 /nfs/dbraw/zinc/10/95/06/427109506.db2.gz QZJSSZYPZJIDIM-KXBFYZLASA-N 2 1 319.493 2.925 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(C)nc2C)[C@@H](C)C1 ZINC000249385583 427109513 /nfs/dbraw/zinc/10/95/13/427109513.db2.gz QZJSSZYPZJIDIM-KXBFYZLASA-N 2 1 319.493 2.925 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000249385063 427110320 /nfs/dbraw/zinc/11/03/20/427110320.db2.gz YEYCBOAIATVNRP-HUUCEWRRSA-N 2 1 306.450 2.834 20 0 DFADMP C[C@@H](C(=O)N1CC[NH+](CCC(C)(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338046930 427111099 /nfs/dbraw/zinc/11/10/99/427111099.db2.gz MTRHFACYQPKOSO-BBWFWOEESA-N 2 1 323.525 2.828 20 0 DFADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(Cc2ccco2)C1 ZINC000190469571 427117503 /nfs/dbraw/zinc/11/75/03/427117503.db2.gz VWKRRDXXJMMWTK-AWEZNQCLSA-N 2 1 305.447 2.998 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796222 427117546 /nfs/dbraw/zinc/11/75/46/427117546.db2.gz WRUVVKHWOHSHKT-JCGIZDLHSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796222 427117552 /nfs/dbraw/zinc/11/75/52/427117552.db2.gz WRUVVKHWOHSHKT-JCGIZDLHSA-N 2 1 311.433 2.545 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCC2 ZINC000268807776 427121621 /nfs/dbraw/zinc/12/16/21/427121621.db2.gz DADFCPWVHZXXKC-IBGZPJMESA-N 2 1 318.461 2.509 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000268799199 427121999 /nfs/dbraw/zinc/12/19/99/427121999.db2.gz XVZNWRKZQRATAS-CEXWTWQISA-N 2 1 320.452 2.990 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000268799199 427122002 /nfs/dbraw/zinc/12/20/02/427122002.db2.gz XVZNWRKZQRATAS-CEXWTWQISA-N 2 1 320.452 2.990 20 0 DFADMP C[N@H+](C[C@H]1CC=CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249529396 427124750 /nfs/dbraw/zinc/12/47/50/427124750.db2.gz ANLQVIPFKNEHTI-ICSRJNTNSA-N 2 1 314.473 2.912 20 0 DFADMP C[N@@H+](C[C@H]1CC=CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249529396 427124755 /nfs/dbraw/zinc/12/47/55/427124755.db2.gz ANLQVIPFKNEHTI-ICSRJNTNSA-N 2 1 314.473 2.912 20 0 DFADMP C[NH+](C[C@H]1CC=CCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249529396 427124761 /nfs/dbraw/zinc/12/47/61/427124761.db2.gz ANLQVIPFKNEHTI-ICSRJNTNSA-N 2 1 314.473 2.912 20 0 DFADMP C[NH+](C[C@H]1CC=CCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249529396 427124770 /nfs/dbraw/zinc/12/47/70/427124770.db2.gz ANLQVIPFKNEHTI-ICSRJNTNSA-N 2 1 314.473 2.912 20 0 DFADMP C[N@H+](C[C@@H]1CC=CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249529399 427125293 /nfs/dbraw/zinc/12/52/93/427125293.db2.gz ANLQVIPFKNEHTI-QUCCMNQESA-N 2 1 314.473 2.912 20 0 DFADMP C[N@@H+](C[C@@H]1CC=CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000249529399 427125298 /nfs/dbraw/zinc/12/52/98/427125298.db2.gz ANLQVIPFKNEHTI-QUCCMNQESA-N 2 1 314.473 2.912 20 0 DFADMP C[NH+](C[C@@H]1CC=CCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000249529399 427125304 /nfs/dbraw/zinc/12/53/04/427125304.db2.gz ANLQVIPFKNEHTI-QUCCMNQESA-N 2 1 314.473 2.912 20 0 DFADMP C[NH+](C[C@@H]1CC=CCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000249529399 427125309 /nfs/dbraw/zinc/12/53/09/427125309.db2.gz ANLQVIPFKNEHTI-QUCCMNQESA-N 2 1 314.473 2.912 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268820651 427127233 /nfs/dbraw/zinc/12/72/33/427127233.db2.gz HJEXQMIAJCWVAH-IBGZPJMESA-N 2 1 318.461 2.509 20 0 DFADMP CCc1nc(CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)n[nH]1 ZINC000296062669 427063693 /nfs/dbraw/zinc/06/36/93/427063693.db2.gz PJCLWUZTDUWGMJ-ZBFHGGJFSA-N 2 1 313.449 2.510 20 0 DFADMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000296275940 427133516 /nfs/dbraw/zinc/13/35/16/427133516.db2.gz DWMTXIZEOYWWLU-RKVPGOIHSA-N 2 1 320.502 2.748 20 0 DFADMP C[C@@H]1CSC[C@@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000296275940 427133522 /nfs/dbraw/zinc/13/35/22/427133522.db2.gz DWMTXIZEOYWWLU-RKVPGOIHSA-N 2 1 320.502 2.748 20 0 DFADMP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268862923 427136211 /nfs/dbraw/zinc/13/62/11/427136211.db2.gz SNCJKWCDBFBRRT-LIRRHRJNSA-N 2 1 320.452 2.886 20 0 DFADMP [NH2+]=C(NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)NC1CCCC1 ZINC000249729258 427140694 /nfs/dbraw/zinc/14/06/94/427140694.db2.gz XBRKIJOVLGATHS-KRWDZBQOSA-N 2 1 314.477 2.608 20 0 DFADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000284142382 427143602 /nfs/dbraw/zinc/14/36/02/427143602.db2.gz OVHKNILALBDTOR-HSALFYBXSA-N 2 1 314.473 2.958 20 0 DFADMP CC1=CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)CC1 ZINC000284142382 427143607 /nfs/dbraw/zinc/14/36/07/427143607.db2.gz OVHKNILALBDTOR-HSALFYBXSA-N 2 1 314.473 2.958 20 0 DFADMP C[C@@H](C(=O)NCCCC[NH+]1CCC[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249763427 427144755 /nfs/dbraw/zinc/14/47/55/427144755.db2.gz XZZLFZOWMGYSLY-BDXSIMOUSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H](C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249763427 427144762 /nfs/dbraw/zinc/14/47/62/427144762.db2.gz XZZLFZOWMGYSLY-BDXSIMOUSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000249763427 427144769 /nfs/dbraw/zinc/14/47/69/427144769.db2.gz XZZLFZOWMGYSLY-BDXSIMOUSA-N 2 1 323.525 2.876 20 0 DFADMP c1ccc2c(c1)CCN2CC[NH+]1CCC([NH+]2CCCCC2)CC1 ZINC000292245460 427144785 /nfs/dbraw/zinc/14/47/85/427144785.db2.gz UARYRRNONNGEET-UHFFFAOYSA-N 2 1 313.489 2.999 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129827 427149953 /nfs/dbraw/zinc/14/99/53/427149953.db2.gz JKUFEKWVSASOHJ-IBGZPJMESA-N 2 1 313.445 2.954 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](CCCO)[C@H]1CCc2ccccc21 ZINC000269129827 427149957 /nfs/dbraw/zinc/14/99/57/427149957.db2.gz JKUFEKWVSASOHJ-IBGZPJMESA-N 2 1 313.445 2.954 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)c1cccs1 ZINC000250343829 427155755 /nfs/dbraw/zinc/15/57/55/427155755.db2.gz DXDKLNYCPGOAIY-ZJIFWQFVSA-N 2 1 307.507 2.861 20 0 DFADMP C1C[C@@H]2C[C@H]([NH2+][C@H]3CCOC4(CCSCC4)C3)CC[N@H+]2C1 ZINC000251086243 427158161 /nfs/dbraw/zinc/15/81/61/427158161.db2.gz HTSVJADNNBVBQV-OWCLPIDISA-N 2 1 310.507 2.648 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@](C)(C[NH3+])C(C)C)cc1)C1CC1 ZINC000158266493 271075176 /nfs/dbraw/zinc/07/51/76/271075176.db2.gz UNSAGVCNUYGBNP-LJQANCHMSA-N 2 1 317.477 2.774 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000195087918 271230965 /nfs/dbraw/zinc/23/09/65/271230965.db2.gz FUAZXBLGDQGBDD-SJLPKXTDSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2C1 ZINC000261633223 271268922 /nfs/dbraw/zinc/26/89/22/271268922.db2.gz BXKGPVHBRZOBTN-XJKSGUPXSA-N 2 1 301.434 2.868 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[C@H]3[NH3+])c2C1 ZINC000261633223 271268925 /nfs/dbraw/zinc/26/89/25/271268925.db2.gz BXKGPVHBRZOBTN-XJKSGUPXSA-N 2 1 301.434 2.868 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000264309068 271272113 /nfs/dbraw/zinc/27/21/13/271272113.db2.gz ZJDQJWVGWJQQFK-LSDHHAIUSA-N 2 1 308.441 2.911 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C)[C@@H]2C)cc1 ZINC000338174278 427172099 /nfs/dbraw/zinc/17/20/99/427172099.db2.gz DWQUNKVKJFDNDG-HOTGVXAUSA-N 2 1 317.477 2.693 20 0 DFADMP C[C@H]([NH2+]CC1(C)OCCCO1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277335387 427170229 /nfs/dbraw/zinc/17/02/29/427170229.db2.gz UPKGTVSJFMWRPJ-FUHWJXTLSA-N 2 1 318.461 2.640 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cn1 ZINC000190795058 427180983 /nfs/dbraw/zinc/18/09/83/427180983.db2.gz KVVSVNRALWPTQS-UHFFFAOYSA-N 2 1 316.493 2.890 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292928814 427207508 /nfs/dbraw/zinc/20/75/08/427207508.db2.gz IVHNCAXSNFJHNO-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292928814 427207516 /nfs/dbraw/zinc/20/75/16/427207516.db2.gz IVHNCAXSNFJHNO-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(-n4cccn4)cc3)C2)C1 ZINC000292928814 427207524 /nfs/dbraw/zinc/20/75/24/427207524.db2.gz IVHNCAXSNFJHNO-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP CCCCNC(=O)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183139100 427208981 /nfs/dbraw/zinc/20/89/81/427208981.db2.gz GKHWTIKWTVIRGH-CQSZACIVSA-N 2 1 314.433 2.748 20 0 DFADMP CC(C)(O)CC[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285368416 427210538 /nfs/dbraw/zinc/21/05/38/427210538.db2.gz ATPJBSNWTBYEFG-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)(O)CC[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285368416 427210546 /nfs/dbraw/zinc/21/05/46/427210546.db2.gz ATPJBSNWTBYEFG-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)(O)CC[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285368416 427210550 /nfs/dbraw/zinc/21/05/50/427210550.db2.gz ATPJBSNWTBYEFG-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP CCN(C)C(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183145821 427210600 /nfs/dbraw/zinc/21/06/00/427210600.db2.gz JDPHGBBLTPSFBN-CQSZACIVSA-N 2 1 314.433 2.700 20 0 DFADMP C[C@@H](C(=O)N1[C@H](C)CCC[C@@H]1C)[NH+]1CCC(c2[nH]cc[nH+]2)CC1 ZINC000330275784 427210725 /nfs/dbraw/zinc/21/07/25/427210725.db2.gz LZCNXPRJDUINDT-ZNMIVQPWSA-N 2 1 318.465 2.767 20 0 DFADMP CN(CCc1nc2ccccc2n1C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285416700 427226017 /nfs/dbraw/zinc/22/60/17/427226017.db2.gz GHRRZMDEXJLVSQ-XYPWUTKMSA-N 2 1 312.461 2.673 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285416700 427226020 /nfs/dbraw/zinc/22/60/20/427226020.db2.gz GHRRZMDEXJLVSQ-XYPWUTKMSA-N 2 1 312.461 2.673 20 0 DFADMP Cn1c2ccccc2nc1CC[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285416700 427226026 /nfs/dbraw/zinc/22/60/26/427226026.db2.gz GHRRZMDEXJLVSQ-XYPWUTKMSA-N 2 1 312.461 2.673 20 0 DFADMP CCOC1CC(C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000285466260 427239146 /nfs/dbraw/zinc/23/91/46/427239146.db2.gz ZASFIRMOQXHYGG-VIQWUECVSA-N 2 1 317.477 2.650 20 0 DFADMP CCOC1CC(C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000285466260 427239150 /nfs/dbraw/zinc/23/91/50/427239150.db2.gz ZASFIRMOQXHYGG-VIQWUECVSA-N 2 1 317.477 2.650 20 0 DFADMP CCOC1CC(C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000285466260 427239153 /nfs/dbraw/zinc/23/91/53/427239153.db2.gz ZASFIRMOQXHYGG-VIQWUECVSA-N 2 1 317.477 2.650 20 0 DFADMP CCOC1CC(C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000285466260 427239157 /nfs/dbraw/zinc/23/91/57/427239157.db2.gz ZASFIRMOQXHYGG-VIQWUECVSA-N 2 1 317.477 2.650 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](C[C@H]2CCCC(F)(F)C2)CC1 ZINC000338309746 427253283 /nfs/dbraw/zinc/25/32/83/427253283.db2.gz WFCPZUDJPFRIKW-AWEZNQCLSA-N 2 1 304.425 2.591 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)c(C)c1OC ZINC000285515890 427256621 /nfs/dbraw/zinc/25/66/21/427256621.db2.gz AWXPDIFHJOFSFB-CYBMUJFWSA-N 2 1 303.406 2.868 20 0 DFADMP CN1CCC([NH2+]Cc2ccncc2OCc2ccccc2)CC1 ZINC000285549905 427268836 /nfs/dbraw/zinc/26/88/36/427268836.db2.gz MEHQFZZQWVNGFU-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2cccc3[nH]ccc32)CCCO1 ZINC000277739081 427303383 /nfs/dbraw/zinc/30/33/83/427303383.db2.gz KARRSUZSFIVDJZ-OAHLLOKOSA-N 2 1 301.434 2.758 20 0 DFADMP CSCc1cnc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000293402052 427315024 /nfs/dbraw/zinc/31/50/24/427315024.db2.gz YFVZHQXNGGVCCQ-NSHDSACASA-N 2 1 308.476 2.555 20 0 DFADMP CC(C)[N@@H+](CC[C@@H]1CCC[NH+]1C)C[C@@H](O)COc1ccccc1 ZINC000277776635 427315360 /nfs/dbraw/zinc/31/53/60/427315360.db2.gz LWKVYPLUXUHZSW-ZWKOTPCHSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[NH+](CC[C@@H]1CCC[N@@H+]1C)C[C@@H](O)COc1ccccc1 ZINC000277776635 427315365 /nfs/dbraw/zinc/31/53/65/427315365.db2.gz LWKVYPLUXUHZSW-ZWKOTPCHSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[NH+](CC[C@@H]1CCC[N@H+]1C)C[C@@H](O)COc1ccccc1 ZINC000277776635 427315369 /nfs/dbraw/zinc/31/53/69/427315369.db2.gz LWKVYPLUXUHZSW-ZWKOTPCHSA-N 2 1 320.477 2.621 20 0 DFADMP Clc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261788894 427341255 /nfs/dbraw/zinc/34/12/55/427341255.db2.gz XRANWZYWUNATDQ-JSGCOSHPSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c2ncccc12 ZINC000261788894 427341264 /nfs/dbraw/zinc/34/12/64/427341264.db2.gz XRANWZYWUNATDQ-JSGCOSHPSA-N 2 1 301.821 2.930 20 0 DFADMP COC(=O)c1ccc(F)c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000285636901 427296745 /nfs/dbraw/zinc/29/67/45/427296745.db2.gz XLEAQAJUQIEYKW-XYPWUTKMSA-N 2 1 320.408 2.669 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000297259406 427376682 /nfs/dbraw/zinc/37/66/82/427376682.db2.gz JWICAZZTSRLHMV-LNLFQRSKSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H](CCO)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000297259406 427376691 /nfs/dbraw/zinc/37/66/91/427376691.db2.gz JWICAZZTSRLHMV-LNLFQRSKSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@H]1[C@@H](NC2CC[NH+](C)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000293613237 427382302 /nfs/dbraw/zinc/38/23/02/427382302.db2.gz GRDXMSPIFFCHCT-LPHOPBHVSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1[C@@H](NC2CC[NH+](C)CC2)CCC[N@H+]1Cc1ccccc1 ZINC000293613237 427382308 /nfs/dbraw/zinc/38/23/08/427382308.db2.gz GRDXMSPIFFCHCT-LPHOPBHVSA-N 2 1 301.478 2.723 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CC[C@H](C)[NH+]2CCCCC2)cn1 ZINC000191589689 427384089 /nfs/dbraw/zinc/38/40/89/427384089.db2.gz YVOSBGRNCQGKRO-INIZCTEOSA-N 2 1 304.482 2.892 20 0 DFADMP COCc1cc(CNCc2ccccc2C[N@@H+](C)C(C)C)no1 ZINC000297308065 427397523 /nfs/dbraw/zinc/39/75/23/427397523.db2.gz BMZDCKDTCZCERQ-UHFFFAOYSA-N 2 1 317.433 2.951 20 0 DFADMP COc1ccc([C@H](C)C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278066633 427397820 /nfs/dbraw/zinc/39/78/20/427397820.db2.gz ZCHQKDJLQQXJEG-IAGOWNOFSA-N 2 1 320.477 2.889 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1 ZINC000293728291 427417927 /nfs/dbraw/zinc/41/79/27/427417927.db2.gz KLDRGFVLLXLWLG-INIZCTEOSA-N 2 1 319.493 2.846 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]12 ZINC000262442195 427358107 /nfs/dbraw/zinc/35/81/07/427358107.db2.gz GYCQTOZLGFIWLY-UMVBOHGHSA-N 2 1 322.836 2.670 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Cl)c4c(c3)OCCCO4)C[C@@H]12 ZINC000262442195 427358112 /nfs/dbraw/zinc/35/81/12/427358112.db2.gz GYCQTOZLGFIWLY-UMVBOHGHSA-N 2 1 322.836 2.670 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC000297645981 427418210 /nfs/dbraw/zinc/41/82/10/427418210.db2.gz JYUDWCDMFOHIJF-MRXNPFEDSA-N 2 1 316.445 2.605 20 0 DFADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)n1-c1ccccc1 ZINC000278824655 427466699 /nfs/dbraw/zinc/46/66/99/427466699.db2.gz SSLYQRSCVUDERM-ZNXRZULTSA-N 2 1 310.445 2.896 20 0 DFADMP Cc1ncc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)n1-c1ccccc1 ZINC000278824655 427466702 /nfs/dbraw/zinc/46/67/02/427466702.db2.gz SSLYQRSCVUDERM-ZNXRZULTSA-N 2 1 310.445 2.896 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)C1 ZINC000286297480 427485050 /nfs/dbraw/zinc/48/50/50/427485050.db2.gz WNHZCXDALLDVPZ-HOTGVXAUSA-N 2 1 313.449 2.650 20 0 DFADMP CCCC[NH+]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000286089102 427422756 /nfs/dbraw/zinc/42/27/56/427422756.db2.gz STDOSBGQZSJDCW-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]2C)C1 ZINC000293779568 427431808 /nfs/dbraw/zinc/43/18/08/427431808.db2.gz QBDWMIDZMICMHU-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CCC[NH+](Cc3ccccc3)[C@H]2C)C1 ZINC000293779568 427431824 /nfs/dbraw/zinc/43/18/24/427431824.db2.gz QBDWMIDZMICMHU-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CCC[N@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000293779568 427431830 /nfs/dbraw/zinc/43/18/30/427431830.db2.gz QBDWMIDZMICMHU-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)C1 ZINC000293779568 427431836 /nfs/dbraw/zinc/43/18/36/427431836.db2.gz QBDWMIDZMICMHU-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCCC[C@@]1(C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000263185994 427432181 /nfs/dbraw/zinc/43/21/81/427432181.db2.gz HHHSNKFXVUFTEJ-HHXXYDBFSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1[nH+]ccn1CC(=O)Nc1cc(C[NH+]2CCCC2)ccc1C ZINC000297710106 427433972 /nfs/dbraw/zinc/43/39/72/427433972.db2.gz YAZFYWCDIIGOEW-UHFFFAOYSA-N 2 1 312.417 2.734 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C)nc3sc(C)nn23)[C@@H](C)C1 ZINC000271192989 427442864 /nfs/dbraw/zinc/44/28/64/427442864.db2.gz MRZNPTKKRBCGTE-SMDDNHRTSA-N 2 1 321.494 2.570 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(F)c1 ZINC000278943256 427508147 /nfs/dbraw/zinc/50/81/47/427508147.db2.gz KMCQVHWSPMBZRL-CHWSQXEVSA-N 2 1 303.381 2.944 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCCCCC[NH+]1CCCC1)c1ccccc1 ZINC000293972776 427508671 /nfs/dbraw/zinc/50/86/71/427508671.db2.gz QWQYBDKDEXLMNG-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CCC[N@H+]1C1CC1 ZINC000278999958 427527307 /nfs/dbraw/zinc/52/73/07/427527307.db2.gz GMHVOGXPFZQDOZ-KRWDZBQOSA-N 2 1 301.434 2.622 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cc1)C(C)C ZINC000294041058 427531397 /nfs/dbraw/zinc/53/13/97/427531397.db2.gz FOYNSVSKRADOIN-INIZCTEOSA-N 2 1 319.493 2.844 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000263664944 427533618 /nfs/dbraw/zinc/53/36/18/427533618.db2.gz FICDCBWIDKFWPP-UHFFFAOYSA-N 2 1 303.450 2.950 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+](C)C2CC[NH+](C(C)C)CC2)c1 ZINC000263664944 427533624 /nfs/dbraw/zinc/53/36/24/427533624.db2.gz FICDCBWIDKFWPP-UHFFFAOYSA-N 2 1 303.450 2.950 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298251242 427547194 /nfs/dbraw/zinc/54/71/94/427547194.db2.gz DLERDKDTASTHLE-QGZVFWFLSA-N 3 1 316.493 2.905 20 0 DFADMP C[C@H]1[C@@H]([NH2+]C2CCN(C3CC3)CC2)CCN1Cc1ccccc1 ZINC000294314315 427619815 /nfs/dbraw/zinc/61/98/15/427619815.db2.gz WCQDRHXTOKVQAB-JXFKEZNVSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCO1 ZINC000271503712 427562403 /nfs/dbraw/zinc/56/24/03/427562403.db2.gz MKZOXEXZTIWABS-HNAYVOBHSA-N 2 1 320.452 2.990 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000271508450 427562927 /nfs/dbraw/zinc/56/29/27/427562927.db2.gz OKDAETBTRUAMDB-JKIFEVAISA-N 2 1 319.449 2.726 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H](O)c2c(F)cccc2Cl)CC[N@H+]1C ZINC000271511697 427565750 /nfs/dbraw/zinc/56/57/50/427565750.db2.gz OVQXRVPASNMRJA-UHIISALHSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)CCN1C ZINC000271511697 427565758 /nfs/dbraw/zinc/56/57/58/427565758.db2.gz OVQXRVPASNMRJA-UHIISALHSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)CC[N@@H+]1C ZINC000271511697 427565763 /nfs/dbraw/zinc/56/57/63/427565763.db2.gz OVQXRVPASNMRJA-UHIISALHSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)CC[N@H+]1C ZINC000271511697 427565769 /nfs/dbraw/zinc/56/57/69/427565769.db2.gz OVQXRVPASNMRJA-UHIISALHSA-N 2 1 300.805 2.585 20 0 DFADMP CCc1oc(CN(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1C(=O)OC ZINC000338944959 427577639 /nfs/dbraw/zinc/57/76/39/427577639.db2.gz PFOBWQSGGMGVFK-CJNGLKHVSA-N 2 1 322.449 2.791 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298372211 427588324 /nfs/dbraw/zinc/58/83/24/427588324.db2.gz KSSGQQAOESEAOA-QGZVFWFLSA-N 3 1 316.493 2.760 20 0 DFADMP CN(CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1F ZINC000192709368 427593261 /nfs/dbraw/zinc/59/32/61/427593261.db2.gz WFJAMLBWUMEWJU-MQVJKMGUSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000287408636 427602650 /nfs/dbraw/zinc/60/26/50/427602650.db2.gz RIHLFEMZNWGQSG-VBSBHUPXSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC[NH+]1Cc1ccccc1 ZINC000287408636 427602657 /nfs/dbraw/zinc/60/26/57/427602657.db2.gz RIHLFEMZNWGQSG-VBSBHUPXSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000287408636 427602664 /nfs/dbraw/zinc/60/26/64/427602664.db2.gz RIHLFEMZNWGQSG-VBSBHUPXSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCN1Cc1ccccc1 ZINC000287408636 427602672 /nfs/dbraw/zinc/60/26/72/427602672.db2.gz RIHLFEMZNWGQSG-VBSBHUPXSA-N 2 1 313.489 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)c2cccc(Cl)c2)[C@H](C)C1 ZINC000185314056 427630977 /nfs/dbraw/zinc/63/09/77/427630977.db2.gz HVLOJKKSLFBSEQ-COXVUDFISA-N 2 1 310.869 2.867 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000192937150 427638623 /nfs/dbraw/zinc/63/86/23/427638623.db2.gz OKHKAOKSCJVMMO-YQQQUEKLSA-N 3 1 307.526 2.959 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)N3C)CC1 ZINC000192937150 427638628 /nfs/dbraw/zinc/63/86/28/427638628.db2.gz OKHKAOKSCJVMMO-YQQQUEKLSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1nc(-c3ccsc3)no1)CC[NH2+]CC2 ZINC000333556322 427648144 /nfs/dbraw/zinc/64/81/44/427648144.db2.gz KGQHYMZIJRPFQP-LBPRGKRZSA-N 2 1 318.446 2.762 20 0 DFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCc1cn[nH]c1 ZINC000298575935 427651365 /nfs/dbraw/zinc/65/13/65/427651365.db2.gz XIOXQTBBWFENIV-INIZCTEOSA-N 2 1 309.417 2.775 20 0 DFADMP COCCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000193041623 427654720 /nfs/dbraw/zinc/65/47/20/427654720.db2.gz PQPLJFLLXDXWSU-AYHJJNSGSA-N 2 1 318.461 2.817 20 0 DFADMP COCCCOc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000193041623 427654729 /nfs/dbraw/zinc/65/47/29/427654729.db2.gz PQPLJFLLXDXWSU-AYHJJNSGSA-N 2 1 318.461 2.817 20 0 DFADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339068588 427658440 /nfs/dbraw/zinc/65/84/40/427658440.db2.gz RMIKZEVFRQBBKL-CVEARBPZSA-N 2 1 300.446 2.943 20 0 DFADMP CC[C@H](CO)[N@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342639765 272034963 /nfs/dbraw/zinc/03/49/63/272034963.db2.gz ORUSKZSRUIWVOQ-GOSISDBHSA-N 2 1 301.434 2.855 20 0 DFADMP CC[C@H](CO)[N@@H+](CCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000342639765 272034964 /nfs/dbraw/zinc/03/49/64/272034964.db2.gz ORUSKZSRUIWVOQ-GOSISDBHSA-N 2 1 301.434 2.855 20 0 DFADMP CC[NH+](CC)CCOC1CC[NH+](Cc2nccn2C(C)C)CC1 ZINC000342658956 272037597 /nfs/dbraw/zinc/03/75/97/272037597.db2.gz LUASLZVMRNDRQB-UHFFFAOYSA-N 2 1 322.497 2.787 20 0 DFADMP Cc1nn(C)c2sc([C@H](C)[NH2+]CCn3cc[nH+]c3C)cc12 ZINC000287694139 427671071 /nfs/dbraw/zinc/67/10/71/427671071.db2.gz NHAQPIPYDCEJJZ-NSHDSACASA-N 2 1 303.435 2.799 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000343164546 272092420 /nfs/dbraw/zinc/09/24/20/272092420.db2.gz WHBZKXIFOXTAOJ-FXAWDEMLSA-N 2 1 315.505 2.623 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1cccnc1 ZINC000343244435 272103723 /nfs/dbraw/zinc/10/37/23/272103723.db2.gz IEGBVTUPSDEQFN-OKYOBFRVSA-N 2 1 317.477 2.568 20 0 DFADMP Cc1ccc2[nH+]ccc(N3C[C@H]([NH+]4CCOCC4)C[C@@H]3C)c2c1 ZINC000343291681 272113594 /nfs/dbraw/zinc/11/35/94/272113594.db2.gz SMJITSJEYXQBJY-JKSUJKDBSA-N 2 1 311.429 2.843 20 0 DFADMP c1ccc([C@@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000343335240 272120845 /nfs/dbraw/zinc/12/08/45/272120845.db2.gz HWUKPECPGOSWPY-MKXGPGLRSA-N 2 1 300.446 2.981 20 0 DFADMP C[C@H](CC(C)(C)O)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000295051884 427673431 /nfs/dbraw/zinc/67/34/31/427673431.db2.gz NONGMLPOVXOVFI-MRXNPFEDSA-N 2 1 304.478 2.833 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569501 272173624 /nfs/dbraw/zinc/17/36/24/272173624.db2.gz RXIZSXDZZVTMBW-VQTJNVASSA-N 2 1 310.441 2.627 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569501 272173626 /nfs/dbraw/zinc/17/36/26/272173626.db2.gz RXIZSXDZZVTMBW-VQTJNVASSA-N 2 1 310.441 2.627 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](CC(=O)Nc2ccc(F)cc2)CC1 ZINC000343580831 272176574 /nfs/dbraw/zinc/17/65/74/272176574.db2.gz NIYPKWAIAHVGDU-UHFFFAOYSA-N 2 1 321.440 2.818 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2ccoc2C(=O)OC)CC1 ZINC000343586788 272177269 /nfs/dbraw/zinc/17/72/69/272177269.db2.gz ZDYUVHJIICNPSO-UHFFFAOYSA-N 2 1 308.422 2.620 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Cl ZINC000295068177 427678315 /nfs/dbraw/zinc/67/83/15/427678315.db2.gz PZUPJMRHHZHWJG-CQSZACIVSA-N 2 1 324.852 2.900 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)cc1Cl ZINC000295068177 427678319 /nfs/dbraw/zinc/67/83/19/427678319.db2.gz PZUPJMRHHZHWJG-CQSZACIVSA-N 2 1 324.852 2.900 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@H+](C)C2)cc1Cl ZINC000295068177 427678325 /nfs/dbraw/zinc/67/83/25/427678325.db2.gz PZUPJMRHHZHWJG-CQSZACIVSA-N 2 1 324.852 2.900 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000295068177 427678329 /nfs/dbraw/zinc/67/83/29/427678329.db2.gz PZUPJMRHHZHWJG-CQSZACIVSA-N 2 1 324.852 2.900 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000343753352 272212041 /nfs/dbraw/zinc/21/20/41/272212041.db2.gz SUWMPZBFVUCQCW-MRXNPFEDSA-N 2 1 305.466 2.806 20 0 DFADMP C[C@H](C[N@H+](C)Cc1ccccc1)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000343923254 272238265 /nfs/dbraw/zinc/23/82/65/272238265.db2.gz GMPVHVVJZGVAIT-RYRKJORJSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1C[C@H](C)[NH+](C2CC2)C1 ZINC000343923254 272238266 /nfs/dbraw/zinc/23/82/66/272238266.db2.gz GMPVHVVJZGVAIT-RYRKJORJSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000343923254 272238267 /nfs/dbraw/zinc/23/82/67/272238267.db2.gz GMPVHVVJZGVAIT-RYRKJORJSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000343923254 272238268 /nfs/dbraw/zinc/23/82/68/272238268.db2.gz GMPVHVVJZGVAIT-RYRKJORJSA-N 2 1 301.478 2.722 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000343923304 272238291 /nfs/dbraw/zinc/23/82/91/272238291.db2.gz GRWSWAZPQFFXCX-OAHLLOKOSA-N 2 1 311.514 2.734 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000343923304 272238292 /nfs/dbraw/zinc/23/82/92/272238292.db2.gz GRWSWAZPQFFXCX-OAHLLOKOSA-N 2 1 311.514 2.734 20 0 DFADMP CN(CCC[N@H+](C)Cc1sccc1Cl)CC[NH+](C)C ZINC000344092586 272262182 /nfs/dbraw/zinc/26/21/82/272262182.db2.gz VWRMJJYJUARYMQ-UHFFFAOYSA-N 2 1 303.903 2.717 20 0 DFADMP CN(CCC[N@@H+](C)Cc1sccc1Cl)CC[NH+](C)C ZINC000344092586 272262184 /nfs/dbraw/zinc/26/21/84/272262184.db2.gz VWRMJJYJUARYMQ-UHFFFAOYSA-N 2 1 303.903 2.717 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C12CCC2 ZINC000344168789 272278920 /nfs/dbraw/zinc/27/89/20/272278920.db2.gz LMKYHENKUWWGBQ-IRXDYDNUSA-N 2 1 322.493 2.569 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@H](C)C2)C1 ZINC000344219758 272289989 /nfs/dbraw/zinc/28/99/89/272289989.db2.gz ZNLAUDGITTXZKA-TWMKSMIVSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000344219758 272289990 /nfs/dbraw/zinc/28/99/90/272289990.db2.gz ZNLAUDGITTXZKA-TWMKSMIVSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000344219758 272289993 /nfs/dbraw/zinc/28/99/93/272289993.db2.gz ZNLAUDGITTXZKA-TWMKSMIVSA-N 2 1 323.525 2.589 20 0 DFADMP CC(C)=CCC[C@H](C)CC[NH2+]CCC(=O)N1CC[NH+](C)CC1 ZINC000193291749 427682892 /nfs/dbraw/zinc/68/28/92/427682892.db2.gz UJVNTOSNPSSAES-KRWDZBQOSA-N 2 1 309.498 2.513 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCOC(C)(C)C3)sc2C1 ZINC000344309358 272308864 /nfs/dbraw/zinc/30/88/64/272308864.db2.gz UGRPFSGFMFMVAP-ZDUSSCGKSA-N 2 1 323.506 2.957 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCOC(C)(C)C3)sc2C1 ZINC000344309358 272308866 /nfs/dbraw/zinc/30/88/66/272308866.db2.gz UGRPFSGFMFMVAP-ZDUSSCGKSA-N 2 1 323.506 2.957 20 0 DFADMP CCC1([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCOCC1 ZINC000344322576 272312918 /nfs/dbraw/zinc/31/29/18/272312918.db2.gz HGBXNIWAODFXOT-UHFFFAOYSA-N 2 1 323.506 2.958 20 0 DFADMP CCC1([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCOCC1 ZINC000344322576 272312919 /nfs/dbraw/zinc/31/29/19/272312919.db2.gz HGBXNIWAODFXOT-UHFFFAOYSA-N 2 1 323.506 2.958 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2scnc2C)[C@H](C)C1 ZINC000344373196 272323723 /nfs/dbraw/zinc/32/37/23/272323723.db2.gz KCGNWEKAXJMHOV-HIFRSBDPSA-N 2 1 311.495 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2scnc2C)[C@H](C)C1 ZINC000344373196 272323725 /nfs/dbraw/zinc/32/37/25/272323725.db2.gz KCGNWEKAXJMHOV-HIFRSBDPSA-N 2 1 311.495 2.678 20 0 DFADMP C[C@H]1C[C@@H](NCc2cnn(-c3ccc(F)cc3)c2)CC[N@H+]1C ZINC000344677038 272355281 /nfs/dbraw/zinc/35/52/81/272355281.db2.gz KMBLUURRUDGHOU-BBRMVZONSA-N 2 1 302.397 2.584 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCN1C ZINC000344677038 272355283 /nfs/dbraw/zinc/35/52/83/272355283.db2.gz KMBLUURRUDGHOU-BBRMVZONSA-N 2 1 302.397 2.584 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(C(N)=O)cs1 ZINC000344777999 272367063 /nfs/dbraw/zinc/36/70/63/272367063.db2.gz VLHJNFKLZIVBCK-XJKSGUPXSA-N 2 1 323.506 2.837 20 0 DFADMP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000279841718 427721969 /nfs/dbraw/zinc/72/19/69/427721969.db2.gz ZXDVDCKDDJSDQC-NEWSRXKRSA-N 2 1 320.477 2.589 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000152 272392204 /nfs/dbraw/zinc/39/22/04/272392204.db2.gz IVHOMMKBHUBHSP-MDMSPXHWSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[C@@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000152 272392206 /nfs/dbraw/zinc/39/22/06/272392206.db2.gz IVHOMMKBHUBHSP-MDMSPXHWSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000345000152 272392209 /nfs/dbraw/zinc/39/22/09/272392209.db2.gz IVHOMMKBHUBHSP-MDMSPXHWSA-N 2 1 321.509 2.723 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287779932 427691318 /nfs/dbraw/zinc/69/13/18/427691318.db2.gz NJQUJGVHOHGKDZ-FUHWJXTLSA-N 2 1 324.896 2.907 20 0 DFADMP c1cc2c(nc[nH+]c2NCCC[N@@H+]2CCc3ccccc3C2)[nH]1 ZINC000339134008 427693622 /nfs/dbraw/zinc/69/36/22/427693622.db2.gz BSFIVMGFCADVQM-UHFFFAOYSA-N 2 1 307.401 2.770 20 0 DFADMP c1cc2c(nc[nH+]c2NCCC[N@H+]2CCc3ccccc3C2)[nH]1 ZINC000339134008 427693626 /nfs/dbraw/zinc/69/36/26/427693626.db2.gz BSFIVMGFCADVQM-UHFFFAOYSA-N 2 1 307.401 2.770 20 0 DFADMP CC[NH+](CC)Cc1cccc(CNc2[nH+]cnc3[nH]ccc32)c1 ZINC000339140862 427700137 /nfs/dbraw/zinc/70/01/37/427700137.db2.gz OGXPBSDSWQBUEB-UHFFFAOYSA-N 2 1 309.417 3.412 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(CO)cc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185755392 427700290 /nfs/dbraw/zinc/70/02/90/427700290.db2.gz WKHAYMOZQBXTQW-YJBOKZPZSA-N 2 1 302.462 2.922 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000345182855 272423770 /nfs/dbraw/zinc/42/37/70/272423770.db2.gz HHSWHPPSXCFSQZ-UHFFFAOYSA-N 2 1 314.351 2.979 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@H]4CCSC4)C[C@H]3C2)cc1 ZINC000279587551 427707785 /nfs/dbraw/zinc/70/77/85/427707785.db2.gz CHAJVZWLOPYBPY-KURKYZTESA-N 2 1 302.487 2.803 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@H]4CCSC4)C[C@H]3C2)cc1 ZINC000279587551 427707788 /nfs/dbraw/zinc/70/77/88/427707788.db2.gz CHAJVZWLOPYBPY-KURKYZTESA-N 2 1 302.487 2.803 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+]1C)C1CCN(CC(F)(F)F)CC1 ZINC000339162416 427711328 /nfs/dbraw/zinc/71/13/28/427711328.db2.gz BSBIKBXMLIKPKZ-UKRRQHHQSA-N 2 1 321.431 2.723 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](CCCC(=O)OC)C2)C1 ZINC000339188441 427724018 /nfs/dbraw/zinc/72/40/18/427724018.db2.gz DFYMTFHMJHLKMM-ZACQAIPSSA-N 2 1 310.482 2.820 20 0 DFADMP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000339339234 427757490 /nfs/dbraw/zinc/75/74/90/427757490.db2.gz DZLWNOULQWAEIB-NVXWUHKLSA-N 2 1 308.466 2.740 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000336855578 427759866 /nfs/dbraw/zinc/75/98/66/427759866.db2.gz ILQQSHJXQPBGCM-GJZGRUSLSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)no1 ZINC000336855578 427759868 /nfs/dbraw/zinc/75/98/68/427759868.db2.gz ILQQSHJXQPBGCM-GJZGRUSLSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)no1 ZINC000336855578 427759870 /nfs/dbraw/zinc/75/98/70/427759870.db2.gz ILQQSHJXQPBGCM-GJZGRUSLSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@H]2CCC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)no1 ZINC000336855578 427759873 /nfs/dbraw/zinc/75/98/73/427759873.db2.gz ILQQSHJXQPBGCM-GJZGRUSLSA-N 2 1 306.454 2.857 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC000336853906 427760973 /nfs/dbraw/zinc/76/09/73/427760973.db2.gz CHNDGZBKZVCWRP-WMZOPIPTSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC000336853906 427760976 /nfs/dbraw/zinc/76/09/76/427760976.db2.gz CHNDGZBKZVCWRP-WMZOPIPTSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000336853906 427760979 /nfs/dbraw/zinc/76/09/79/427760979.db2.gz CHNDGZBKZVCWRP-WMZOPIPTSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000336853906 427760981 /nfs/dbraw/zinc/76/09/81/427760981.db2.gz CHNDGZBKZVCWRP-WMZOPIPTSA-N 2 1 304.482 2.549 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000336857415 427761410 /nfs/dbraw/zinc/76/14/10/427761410.db2.gz SDTXUQHEDFPQSX-IAGOWNOFSA-N 2 1 303.381 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000336857415 427761412 /nfs/dbraw/zinc/76/14/12/427761412.db2.gz SDTXUQHEDFPQSX-IAGOWNOFSA-N 2 1 303.381 2.529 20 0 DFADMP Cc1noc(CCC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000336872902 427769927 /nfs/dbraw/zinc/76/99/27/427769927.db2.gz RGONOHABHOFLPV-WBVHZDCISA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000336872902 427769929 /nfs/dbraw/zinc/76/99/29/427769929.db2.gz RGONOHABHOFLPV-WBVHZDCISA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000336872902 427769930 /nfs/dbraw/zinc/76/99/30/427769930.db2.gz RGONOHABHOFLPV-WBVHZDCISA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000336872902 427769931 /nfs/dbraw/zinc/76/99/31/427769931.db2.gz RGONOHABHOFLPV-WBVHZDCISA-N 2 1 320.481 2.897 20 0 DFADMP OC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000336876933 427770636 /nfs/dbraw/zinc/77/06/36/427770636.db2.gz WJFLFFZRAIOTRC-UYAOXDASSA-N 2 1 316.489 2.834 20 0 DFADMP COc1ccc(C[N@@H+](C[C@@H]2CCC[NH2+]C2)[C@H](CO)C(C)C)cc1 ZINC000339431723 427773822 /nfs/dbraw/zinc/77/38/22/427773822.db2.gz UUFWGADDRNARKK-IEBWSBKVSA-N 2 1 320.477 2.514 20 0 DFADMP CC[C@@H](C(=O)NCC(C)(C)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000339242330 427739321 /nfs/dbraw/zinc/73/93/21/427739321.db2.gz YVUQEFXBHPGUSB-KRWDZBQOSA-N 2 1 319.493 2.601 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@@H]1CC[C@H](C)C1 ZINC000345657206 272512067 /nfs/dbraw/zinc/51/20/67/272512067.db2.gz VFUGDLBLFVBZDF-RCCFBDPRSA-N 2 1 323.525 2.687 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CC1CC[NH2+]CC1 ZINC000337033749 427790405 /nfs/dbraw/zinc/79/04/05/427790405.db2.gz HGWJYBKADCARLZ-PMACEKPBSA-N 2 1 315.505 2.658 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC4CCOCC4)C[C@@H]3C2)cc1 ZINC000336696227 427748717 /nfs/dbraw/zinc/74/87/17/427748717.db2.gz ARVVFCCILZWWEH-UXHICEINSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)cc1 ZINC000336696227 427748718 /nfs/dbraw/zinc/74/87/18/427748718.db2.gz ARVVFCCILZWWEH-UXHICEINSA-N 2 1 314.473 2.867 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4CCOCC4)C[C@@H]3C2)cc1 ZINC000336696227 427748720 /nfs/dbraw/zinc/74/87/20/427748720.db2.gz ARVVFCCILZWWEH-UXHICEINSA-N 2 1 314.473 2.867 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000339278728 427749275 /nfs/dbraw/zinc/74/92/75/427749275.db2.gz BANAIIYTKBMDHS-QZWWFDLISA-N 2 1 310.482 2.961 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000339278728 427749277 /nfs/dbraw/zinc/74/92/77/427749277.db2.gz BANAIIYTKBMDHS-QZWWFDLISA-N 2 1 310.482 2.961 20 0 DFADMP CC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1CCOC ZINC000301413379 427794437 /nfs/dbraw/zinc/79/44/37/427794437.db2.gz QABUZJARNZZCKB-HNNXBMFYSA-N 2 1 317.408 2.921 20 0 DFADMP CC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1CCOC ZINC000301413379 427794438 /nfs/dbraw/zinc/79/44/38/427794438.db2.gz QABUZJARNZZCKB-HNNXBMFYSA-N 2 1 317.408 2.921 20 0 DFADMP CCN1CC[NH+]([C@@H](C)CNc2cc[nH+]c3c(C)cccc23)CC1 ZINC000301681661 427815437 /nfs/dbraw/zinc/81/54/37/427815437.db2.gz SFLMIGUWZLGFJY-INIZCTEOSA-N 2 1 312.461 2.981 20 0 DFADMP COc1ccc(OCCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000337218811 427817734 /nfs/dbraw/zinc/81/77/34/427817734.db2.gz CDEDBCJFWWAOIG-UHFFFAOYSA-N 2 1 306.450 2.882 20 0 DFADMP Cc1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@H]32)nc(-c2ccncc2)n1 ZINC000301729268 427819854 /nfs/dbraw/zinc/81/98/54/427819854.db2.gz RNANPCVQYBDIEJ-DLBZAZTESA-N 2 1 323.444 2.768 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H]2Cc2ccccc2)CC1 ZINC000337257676 427826115 /nfs/dbraw/zinc/82/61/15/427826115.db2.gz UKSDCDGRMYEWPS-HXUWFJFHSA-N 2 1 315.505 2.720 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](CO)c1cccc(Cl)c1F ZINC000337279931 427830514 /nfs/dbraw/zinc/83/05/14/427830514.db2.gz UWAUFPXOYMFFIF-CQSZACIVSA-N 2 1 311.788 2.697 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000337311245 427836176 /nfs/dbraw/zinc/83/61/76/427836176.db2.gz CAUHMPZNMVVWJW-ZWKOTPCHSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)C[NH+]1CCC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000337311245 427836177 /nfs/dbraw/zinc/83/61/77/427836177.db2.gz CAUHMPZNMVVWJW-ZWKOTPCHSA-N 2 1 321.509 2.630 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@@H]1C ZINC000359408051 427839521 /nfs/dbraw/zinc/83/95/21/427839521.db2.gz JWPSYFHWKNUAHZ-FIDHJVLJSA-N 2 1 308.466 2.571 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C[C@H]1CC[C@@H](C)C1 ZINC000345657200 427848700 /nfs/dbraw/zinc/84/87/00/427848700.db2.gz VFUGDLBLFVBZDF-FGTMMUONSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@]1(C)CCCO1 ZINC000340463073 427854076 /nfs/dbraw/zinc/85/40/76/427854076.db2.gz ATBQPQVCGVPXHJ-APWZRJJASA-N 2 1 302.462 2.982 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@]1(C)CCCO1 ZINC000340463073 427854080 /nfs/dbraw/zinc/85/40/80/427854080.db2.gz ATBQPQVCGVPXHJ-APWZRJJASA-N 2 1 302.462 2.982 20 0 DFADMP CC(C)C[C@@H](CNC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000345680149 427855369 /nfs/dbraw/zinc/85/53/69/427855369.db2.gz XYTZPUJJNPSQSG-AEFFLSMTSA-N 2 1 319.493 2.599 20 0 DFADMP CCCCOc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000359458163 427861161 /nfs/dbraw/zinc/86/11/61/427861161.db2.gz PIUMXHMALOROLO-IYBDPMFKSA-N 2 1 304.434 2.525 20 0 DFADMP CCCCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000359458163 427861168 /nfs/dbraw/zinc/86/11/68/427861168.db2.gz PIUMXHMALOROLO-IYBDPMFKSA-N 2 1 304.434 2.525 20 0 DFADMP Brc1ccc2[nH+]ccc(NCC[NH+]3CCCC3)c2c1 ZINC000359476479 427867160 /nfs/dbraw/zinc/86/71/60/427867160.db2.gz AHVKSBKSOOYEMU-UHFFFAOYSA-N 2 1 320.234 2.927 20 0 DFADMP c1ccc(CN2CCC[C@@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000302871495 427882373 /nfs/dbraw/zinc/88/23/73/427882373.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@@H](NC[C@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000302871495 427882377 /nfs/dbraw/zinc/88/23/77/427882377.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](NC[C@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000302871495 427882382 /nfs/dbraw/zinc/88/23/82/427882382.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H](NC[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000302871495 427882388 /nfs/dbraw/zinc/88/23/88/427882388.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@H](NC[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000302871495 427882392 /nfs/dbraw/zinc/88/23/92/427882392.db2.gz KSPTZZXKXIIEJF-RTBURBONSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000302871494 427882568 /nfs/dbraw/zinc/88/25/68/427882568.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](NC[C@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000302871494 427882571 /nfs/dbraw/zinc/88/25/71/427882571.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](NC[C@H]3CC[NH+](C4CC4)C3)C2)cc1 ZINC000302871494 427882576 /nfs/dbraw/zinc/88/25/76/427882576.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](NC[C@H]3CC[N@@H+](C4CC4)C3)C2)cc1 ZINC000302871494 427882580 /nfs/dbraw/zinc/88/25/80/427882580.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](NC[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000302871494 427882585 /nfs/dbraw/zinc/88/25/85/427882585.db2.gz KSPTZZXKXIIEJF-MOPGFXCFSA-N 2 1 313.489 2.725 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000337395218 427884020 /nfs/dbraw/zinc/88/40/20/427884020.db2.gz BNTFZVJPKYTMQB-OAHLLOKOSA-N 2 1 318.461 2.795 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCOCC(C)C)C1)CCCC2 ZINC000337401110 427886343 /nfs/dbraw/zinc/88/63/43/427886343.db2.gz HLUPWJOTIJHTIV-INIZCTEOSA-N 2 1 305.466 2.990 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCOCC(C)C)C1)CCCC2 ZINC000337401110 427886346 /nfs/dbraw/zinc/88/63/46/427886346.db2.gz HLUPWJOTIJHTIV-INIZCTEOSA-N 2 1 305.466 2.990 20 0 DFADMP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)ccc1F ZINC000337403924 427890449 /nfs/dbraw/zinc/89/04/49/427890449.db2.gz IMIHTQRQBIBQFN-UHFFFAOYSA-N 2 1 321.484 2.982 20 0 DFADMP C[NH+](C)[C@@H](CNc1cc[nH+]cc1Br)c1ccco1 ZINC000339975217 427891754 /nfs/dbraw/zinc/89/17/54/427891754.db2.gz FLLVGEHWHNYMAD-LBPRGKRZSA-N 2 1 310.195 2.574 20 0 DFADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCCn1ccnc1C ZINC000355785828 427891938 /nfs/dbraw/zinc/89/19/38/427891938.db2.gz LWPWOLFYNLNTGF-SFHVURJKSA-N 2 1 301.434 2.771 20 0 DFADMP COC[C@H](Cc1ccccc1)[N@H+](C)CCCn1cc[nH+]c1C ZINC000355785828 427891950 /nfs/dbraw/zinc/89/19/50/427891950.db2.gz LWPWOLFYNLNTGF-SFHVURJKSA-N 2 1 301.434 2.771 20 0 DFADMP COC[C@H](Cc1ccccc1)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000355785828 427891956 /nfs/dbraw/zinc/89/19/56/427891956.db2.gz LWPWOLFYNLNTGF-SFHVURJKSA-N 2 1 301.434 2.771 20 0 DFADMP CC[C@H](c1ccccc1)[NH+]1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000337414329 427894880 /nfs/dbraw/zinc/89/48/80/427894880.db2.gz SIBICTWTRAKHNO-GOSISDBHSA-N 2 1 317.477 2.624 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000303219898 427898704 /nfs/dbraw/zinc/89/87/04/427898704.db2.gz HTCGGQYSLJWZMZ-RBUKOAKNSA-N 2 1 302.462 2.820 20 0 DFADMP c1nc(NCC2CC2)cc(N2CCC[N@H+](C3CCCC3)CC2)n1 ZINC000340021849 427903543 /nfs/dbraw/zinc/90/35/43/427903543.db2.gz WUFXOGQGAWEMGC-UHFFFAOYSA-N 2 1 315.465 2.753 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000349971454 427912811 /nfs/dbraw/zinc/91/28/11/427912811.db2.gz JQFRLEONTAYULE-QXCFHYIPSA-N 2 1 324.509 2.623 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000349971452 427912851 /nfs/dbraw/zinc/91/28/51/427912851.db2.gz JQFRLEONTAYULE-NXWXRZEISA-N 2 1 324.509 2.623 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCC[C@@]2(C)[NH3+])C1 ZINC000345823313 427920532 /nfs/dbraw/zinc/92/05/32/427920532.db2.gz VFFPZMCHLBEOHP-SOLBZPMBSA-N 2 1 309.498 2.522 20 0 DFADMP O[C@@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000304260705 427921367 /nfs/dbraw/zinc/92/13/67/427921367.db2.gz FMSZWLRKUHGTLW-YOEHRIQHSA-N 2 1 308.853 2.791 20 0 DFADMP O[C@@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000304260705 427921372 /nfs/dbraw/zinc/92/13/72/427921372.db2.gz FMSZWLRKUHGTLW-YOEHRIQHSA-N 2 1 308.853 2.791 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnn(-c4ccc(F)cc4)c3)C[C@@H]21 ZINC000346823573 272690006 /nfs/dbraw/zinc/69/00/06/272690006.db2.gz FGSXCJKECDOJNC-JCGIZDLHSA-N 2 1 314.408 2.571 20 0 DFADMP COCCOCCCC[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340220896 427957697 /nfs/dbraw/zinc/95/76/97/427957697.db2.gz RBLRTLUWGBQPJX-OALUTQOASA-N 2 1 320.477 2.855 20 0 DFADMP COCCOCCCC[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340220896 427957702 /nfs/dbraw/zinc/95/77/02/427957702.db2.gz RBLRTLUWGBQPJX-OALUTQOASA-N 2 1 320.477 2.855 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@]3(C)CCCO3)CCCC2)CC1 ZINC000340231682 427960228 /nfs/dbraw/zinc/96/02/28/427960228.db2.gz VBXPYDUZUVRZSV-AEFFLSMTSA-N 2 1 324.509 2.957 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)N1CCc2ccccc2C1 ZINC000359662331 427962560 /nfs/dbraw/zinc/96/25/60/427962560.db2.gz JPBQATXCEQDLFV-NSISKUIASA-N 2 1 315.505 2.753 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)[C@@H]1Oc1ccccc1 ZINC000359665235 427963503 /nfs/dbraw/zinc/96/35/03/427963503.db2.gz SBBSLMKOZMEBGW-QRVBRYPASA-N 2 1 320.477 2.931 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@@H+](C)C(C)C)[C@@H]1Oc1ccccc1 ZINC000359665235 427963507 /nfs/dbraw/zinc/96/35/07/427963507.db2.gz SBBSLMKOZMEBGW-QRVBRYPASA-N 2 1 320.477 2.931 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340260578 427969891 /nfs/dbraw/zinc/96/98/91/427969891.db2.gz SUQMGOQQMCQPFV-QZTJIDSGSA-N 2 1 310.445 2.919 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCNc2ccccn2)C[C@@H]1c1ccccc1 ZINC000340260578 427969894 /nfs/dbraw/zinc/96/98/94/427969894.db2.gz SUQMGOQQMCQPFV-QZTJIDSGSA-N 2 1 310.445 2.919 20 0 DFADMP Cc1cnc(CNC[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1C ZINC000341048018 427978653 /nfs/dbraw/zinc/97/86/53/427978653.db2.gz RPIURCZXBRTLAD-WMLDXEAASA-N 2 1 318.490 2.963 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H](c2cccnc2)C1 ZINC000376738198 427990083 /nfs/dbraw/zinc/99/00/83/427990083.db2.gz SEYAKTYCUXYNTJ-WMZOPIPTSA-N 2 1 305.466 2.666 20 0 DFADMP CCCC[C@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000337485325 427927479 /nfs/dbraw/zinc/92/74/79/427927479.db2.gz YUCLZOCBAVEVEM-IRXDYDNUSA-N 2 1 311.514 2.687 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000337487416 427929883 /nfs/dbraw/zinc/92/98/83/427929883.db2.gz TWDUFWQOKSNLAJ-MJGOQNOKSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2CCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000337487416 427929888 /nfs/dbraw/zinc/92/98/88/427929888.db2.gz TWDUFWQOKSNLAJ-MJGOQNOKSA-N 2 1 300.446 2.546 20 0 DFADMP CCCOc1cc(C[N@@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347200422 272746634 /nfs/dbraw/zinc/74/66/34/272746634.db2.gz JLYNWJVQGGLNSO-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP CCCOc1cc(C[N@H+]2CCC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347200422 272746638 /nfs/dbraw/zinc/74/66/38/272746638.db2.gz JLYNWJVQGGLNSO-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CC1 ZINC000340181206 427947628 /nfs/dbraw/zinc/94/76/28/427947628.db2.gz MWKLCNHYTLPIFA-RTBURBONSA-N 2 1 301.478 2.896 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340188863 427949513 /nfs/dbraw/zinc/94/95/13/427949513.db2.gz QNRKMVFADNEHJW-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340188863 427949517 /nfs/dbraw/zinc/94/95/17/427949517.db2.gz QNRKMVFADNEHJW-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000340188863 427949521 /nfs/dbraw/zinc/94/95/21/427949521.db2.gz QNRKMVFADNEHJW-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000340188863 427949526 /nfs/dbraw/zinc/94/95/26/427949526.db2.gz QNRKMVFADNEHJW-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@@H](c3ccccc3)C2)C1 ZINC000340188863 427949529 /nfs/dbraw/zinc/94/95/29/427949529.db2.gz QNRKMVFADNEHJW-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP CCC[N@@H+](C)Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000350592198 427953816 /nfs/dbraw/zinc/95/38/16/427953816.db2.gz FPIWBYUANRDPER-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359845955 428043830 /nfs/dbraw/zinc/04/38/30/428043830.db2.gz CJILJGOQTIMTJZ-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]2COCC[C@H]21 ZINC000346166993 428048764 /nfs/dbraw/zinc/04/87/64/428048764.db2.gz JPVBIGAJFIBVHC-MAUKXSAKSA-N 2 1 312.417 2.577 20 0 DFADMP CC[C@@H](C(=O)N1CC[N@@H+](C)CC12CCCCC2)[NH+](CC)CC ZINC000359861972 428051470 /nfs/dbraw/zinc/05/14/70/428051470.db2.gz UBMZJHVEWMSNAF-INIZCTEOSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000359884528 428059747 /nfs/dbraw/zinc/05/97/47/428059747.db2.gz YMVVXGFJUPMEGB-FMKPAKJESA-N 2 1 314.433 2.740 20 0 DFADMP C[C@H](Cc1nc(-c2ccccc2)no1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000359884528 428059754 /nfs/dbraw/zinc/05/97/54/428059754.db2.gz YMVVXGFJUPMEGB-FMKPAKJESA-N 2 1 314.433 2.740 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000359767866 428010513 /nfs/dbraw/zinc/01/05/13/428010513.db2.gz VYTBORUNSUZFMX-HNNXBMFYSA-N 2 1 305.466 2.598 20 0 DFADMP CC[N@H+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)[C@@H](C)C1 ZINC000413283999 428011675 /nfs/dbraw/zinc/01/16/75/428011675.db2.gz UJAVNALKNGJFQO-ZDUSSCGKSA-N 2 1 315.417 2.782 20 0 DFADMP C[C@H]([NH2+]CC1(CCO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376899521 428019214 /nfs/dbraw/zinc/01/92/14/428019214.db2.gz SLMLLSLGFAMKEH-WMZOPIPTSA-N 2 1 302.462 2.649 20 0 DFADMP C[C@@H]([NH2+]CC1(CCO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376899520 428020403 /nfs/dbraw/zinc/02/04/03/428020403.db2.gz SLMLLSLGFAMKEH-SJLPKXTDSA-N 2 1 302.462 2.649 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)n1 ZINC000369834751 428072360 /nfs/dbraw/zinc/07/23/60/428072360.db2.gz LGFYCBJEVNMUTR-SSHXOBKSSA-N 2 1 318.465 2.875 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[NH+](C)C)cc1)C(C)C ZINC000346221485 428078131 /nfs/dbraw/zinc/07/81/31/428078131.db2.gz LTKCPEBNIVVNKZ-OAHLLOKOSA-N 2 1 305.466 2.597 20 0 DFADMP C[NH+](C)CCOC1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000356230816 428078813 /nfs/dbraw/zinc/07/88/13/428078813.db2.gz VKZUSMDQNHDHCX-UHFFFAOYSA-N 2 1 305.447 2.843 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCCN(Cc2nccn2C)CC1 ZINC000369917074 428088476 /nfs/dbraw/zinc/08/84/76/428088476.db2.gz ASALHDJNYGNNAF-SJORKVTESA-N 2 1 304.482 2.754 20 0 DFADMP COc1cc(C)c([C@H](C)NC[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000369913858 428088554 /nfs/dbraw/zinc/08/85/54/428088554.db2.gz SWQVHSNKPMLBAU-GVDBMIGSSA-N 2 1 318.461 2.826 20 0 DFADMP COc1cc(C)c([C@H](C)NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000369913858 428088557 /nfs/dbraw/zinc/08/85/57/428088557.db2.gz SWQVHSNKPMLBAU-GVDBMIGSSA-N 2 1 318.461 2.826 20 0 DFADMP CCc1nc(NC2CC[NH+](CCc3ccccc3)CC2)cc(C)[nH+]1 ZINC000341555701 428103199 /nfs/dbraw/zinc/10/31/99/428103199.db2.gz YCQHAOBKOCMKPF-UHFFFAOYSA-N 2 1 324.472 3.466 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000351751863 428109379 /nfs/dbraw/zinc/10/93/79/428109379.db2.gz DJCCDWVIEDUNOD-KXBFYZLASA-N 2 1 310.445 2.785 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000351751863 428109384 /nfs/dbraw/zinc/10/93/84/428109384.db2.gz DJCCDWVIEDUNOD-KXBFYZLASA-N 2 1 310.445 2.785 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cnn(Cc2ccccc2)c1 ZINC000360015139 428116777 /nfs/dbraw/zinc/11/67/77/428116777.db2.gz KOJXQZVDFHUGTK-QAPCUYQASA-N 2 1 321.428 2.794 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351867120 428117017 /nfs/dbraw/zinc/11/70/17/428117017.db2.gz WGCPOPMKSLIGPE-DLBZAZTESA-N 2 1 311.514 2.576 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000351867120 428117019 /nfs/dbraw/zinc/11/70/19/428117019.db2.gz WGCPOPMKSLIGPE-DLBZAZTESA-N 2 1 311.514 2.576 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000360027285 428122100 /nfs/dbraw/zinc/12/21/00/428122100.db2.gz HDMWQPFZTDEJSS-ABHNRTSZSA-N 2 1 321.509 2.584 20 0 DFADMP O[C@H](CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000377124106 428064856 /nfs/dbraw/zinc/06/48/56/428064856.db2.gz CPIRAXIEBIKVCG-YDZRNGNQSA-N 2 1 300.446 2.526 20 0 DFADMP O[C@H](CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000377124106 428064864 /nfs/dbraw/zinc/06/48/64/428064864.db2.gz CPIRAXIEBIKVCG-YDZRNGNQSA-N 2 1 300.446 2.526 20 0 DFADMP C[N@H+](Cc1ccc(OCC(F)(F)F)cc1)[C@H](CN)C1CC1 ZINC000359896984 428066983 /nfs/dbraw/zinc/06/69/83/428066983.db2.gz KDNBDCLSGLNUMU-CQSZACIVSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000360039631 428131108 /nfs/dbraw/zinc/13/11/08/428131108.db2.gz LADCZZUXCCHDEX-NJAFHUGGSA-N 2 1 310.445 2.623 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC000352534262 428137904 /nfs/dbraw/zinc/13/79/04/428137904.db2.gz DWRLACCVTFNXHB-HNNXBMFYSA-N 2 1 319.840 2.624 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Cl)cc1-n1cncn1 ZINC000352534262 428137909 /nfs/dbraw/zinc/13/79/09/428137909.db2.gz DWRLACCVTFNXHB-HNNXBMFYSA-N 2 1 319.840 2.624 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)c2)cn1 ZINC000352540231 428141515 /nfs/dbraw/zinc/14/15/15/428141515.db2.gz IMKQVFVDKOVKMM-MRXNPFEDSA-N 2 1 302.447 2.509 20 0 DFADMP Cc1ccn2c(C[N@@H+](CCC[NH3+])CC3CCCC3)cnc2c1 ZINC000352541306 428142689 /nfs/dbraw/zinc/14/26/89/428142689.db2.gz WGZZTFSGQQPGDK-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000352545871 428144269 /nfs/dbraw/zinc/14/42/69/428144269.db2.gz MNOBJKYPJGVAOL-FQEVSTJZSA-N 2 1 324.472 2.971 20 0 DFADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000377559150 428157323 /nfs/dbraw/zinc/15/73/23/428157323.db2.gz CPIRAXIEBIKVCG-MKXGPGLRSA-N 2 1 300.446 2.526 20 0 DFADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1)c1ccccc1 ZINC000377559150 428157330 /nfs/dbraw/zinc/15/73/30/428157330.db2.gz CPIRAXIEBIKVCG-MKXGPGLRSA-N 2 1 300.446 2.526 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000360156340 428184795 /nfs/dbraw/zinc/18/47/95/428184795.db2.gz PWIUSYWMIGOVEN-OAHLLOKOSA-N 2 1 304.482 2.569 20 0 DFADMP CC(C)=CC(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000370215754 428160030 /nfs/dbraw/zinc/16/00/30/428160030.db2.gz MANOQOORWUOWBA-UHFFFAOYSA-N 2 1 321.509 2.607 20 0 DFADMP COC1CCC([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CC1 ZINC000346437232 428172456 /nfs/dbraw/zinc/17/24/56/428172456.db2.gz MWYWSOXUEWRQON-UHFFFAOYSA-N 2 1 324.509 2.957 20 0 DFADMP CC[NH+]1CCC([N@H+](CCCO[C@H]2CCCCO2)C2CC2)CC1 ZINC000370290879 428176147 /nfs/dbraw/zinc/17/61/47/428176147.db2.gz XNBUACLEZQWQMQ-SFHVURJKSA-N 2 1 310.482 2.868 20 0 DFADMP CC[NH+]1CCC([N@@H+](CCCO[C@H]2CCCCO2)C2CC2)CC1 ZINC000370290879 428176151 /nfs/dbraw/zinc/17/61/51/428176151.db2.gz XNBUACLEZQWQMQ-SFHVURJKSA-N 2 1 310.482 2.868 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCSC2)[C@@H](C)C1 ZINC000352633522 428176605 /nfs/dbraw/zinc/17/66/05/428176605.db2.gz OXYWOUFXTWPSHG-XHSDSOJGSA-N 2 1 300.512 2.609 20 0 DFADMP COc1cc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(OC)c1 ZINC000377634277 428179740 /nfs/dbraw/zinc/17/97/40/428179740.db2.gz ZCTMADDVUAPABN-XYPWUTKMSA-N 2 1 304.434 2.761 20 0 DFADMP COc1cc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc(OC)c1 ZINC000377634277 428179742 /nfs/dbraw/zinc/17/97/42/428179742.db2.gz ZCTMADDVUAPABN-XYPWUTKMSA-N 2 1 304.434 2.761 20 0 DFADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc(OC)c1 ZINC000377634277 428179747 /nfs/dbraw/zinc/17/97/47/428179747.db2.gz ZCTMADDVUAPABN-XYPWUTKMSA-N 2 1 304.434 2.761 20 0 DFADMP COc1cc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc(OC)c1 ZINC000377634277 428179751 /nfs/dbraw/zinc/17/97/51/428179751.db2.gz ZCTMADDVUAPABN-XYPWUTKMSA-N 2 1 304.434 2.761 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414097465 428206943 /nfs/dbraw/zinc/20/69/43/428206943.db2.gz JCCQGVWQDSNWIC-FUHWJXTLSA-N 2 1 319.493 2.979 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377723346 428208522 /nfs/dbraw/zinc/20/85/22/428208522.db2.gz NEUZNUPYPRCJBV-SZMVWBNQSA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377723346 428208524 /nfs/dbraw/zinc/20/85/24/428208524.db2.gz NEUZNUPYPRCJBV-SZMVWBNQSA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1C[C@@H](c2ccc(Cl)cc2)[C@H](CO)C1 ZINC000377723346 428208530 /nfs/dbraw/zinc/20/85/30/428208530.db2.gz NEUZNUPYPRCJBV-SZMVWBNQSA-N 2 1 322.880 2.832 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)cn1 ZINC000414109873 428209083 /nfs/dbraw/zinc/20/90/83/428209083.db2.gz HQTJUOQYTDXLJV-CQSZACIVSA-N 2 1 302.422 2.596 20 0 DFADMP Cc1ccc(CCC[NH2+][C@@H](C)c2noc(COC(C)C)n2)cn1 ZINC000356506789 428209992 /nfs/dbraw/zinc/20/99/92/428209992.db2.gz PQQQZIGNHYLLAT-AWEZNQCLSA-N 2 1 318.421 2.981 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1C ZINC000414132710 428214867 /nfs/dbraw/zinc/21/48/67/428214867.db2.gz ZREVOWJWLDOOMM-DSLXNQLJSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@H]1C[C@@H]1C ZINC000414132710 428214871 /nfs/dbraw/zinc/21/48/71/428214871.db2.gz ZREVOWJWLDOOMM-DSLXNQLJSA-N 2 1 302.462 2.648 20 0 DFADMP COCC[NH+]1CCC([NH2+]CC(C)(C)Oc2ccccc2)CC1 ZINC000360245547 428222005 /nfs/dbraw/zinc/22/20/05/428222005.db2.gz OSTLHIDRFYMMFT-UHFFFAOYSA-N 2 1 306.450 2.544 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CCC(OC)CC2)[C@@H](C)C1 ZINC000414180217 428227861 /nfs/dbraw/zinc/22/78/61/428227861.db2.gz LLENMVKYZBATIC-FCCDEINASA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000414187583 428230674 /nfs/dbraw/zinc/23/06/74/428230674.db2.gz QBITYAPASNRWBP-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP CCC[NH+](CCC)CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000341863267 428232197 /nfs/dbraw/zinc/23/21/97/428232197.db2.gz NGVNSWDRLRJIGB-IXDOHACOSA-N 2 1 311.514 2.876 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]C/C=C\c1ccc(F)c(F)c1 ZINC000352749339 428232353 /nfs/dbraw/zinc/23/23/53/428232353.db2.gz MNRLROVXKRZGLZ-OICCZTGUSA-N 2 1 324.415 2.805 20 0 DFADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352761746 428237231 /nfs/dbraw/zinc/23/72/31/428237231.db2.gz ZFHXHFHJFDPVSS-BBRMVZONSA-N 2 1 311.495 2.746 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@@H](C)C1)NCc1ncc(C[NH+](C)C)s1 ZINC000352766319 428238184 /nfs/dbraw/zinc/23/81/84/428238184.db2.gz WDDXBZXWDSBJCJ-KFWWJZLASA-N 2 1 324.538 2.661 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@@H+](C)[C@@H](c4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000377830171 428239236 /nfs/dbraw/zinc/23/92/36/428239236.db2.gz BLIKZJGHDVFXSB-LNLFQRSKSA-N 2 1 308.429 2.833 20 0 DFADMP Cc1cc(N2C[C@@H]3C[N@H+](C)[C@@H](c4ccccc4)[C@H]3C2)nc(C)[nH+]1 ZINC000377830171 428239241 /nfs/dbraw/zinc/23/92/41/428239241.db2.gz BLIKZJGHDVFXSB-LNLFQRSKSA-N 2 1 308.429 2.833 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000370366168 428194889 /nfs/dbraw/zinc/19/48/89/428194889.db2.gz OJOGKOMTOLJHAU-VQIMIIECSA-N 2 1 310.445 2.519 20 0 DFADMP C[C@@H]([NH2+]CCCN1CC[N@@H+](C)C[C@@H]1c1ccccc1)[C@H]1C[C@H]1C ZINC000414066674 428196634 /nfs/dbraw/zinc/19/66/34/428196634.db2.gz PVMAYNLZMHXKCJ-IZBJGVDFSA-N 2 1 315.505 2.999 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000414069043 428197319 /nfs/dbraw/zinc/19/73/19/428197319.db2.gz KGLCULLBZRHFBJ-OWCLPIDISA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H](C)C[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000414069043 428197326 /nfs/dbraw/zinc/19/73/26/428197326.db2.gz KGLCULLBZRHFBJ-OWCLPIDISA-N 2 1 305.466 2.731 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414068387 428197522 /nfs/dbraw/zinc/19/75/22/428197522.db2.gz BAQMRFXWYJKGPB-XWCCPHMRSA-N 2 1 302.462 2.504 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414068387 428197525 /nfs/dbraw/zinc/19/75/25/428197525.db2.gz BAQMRFXWYJKGPB-XWCCPHMRSA-N 2 1 302.462 2.504 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000377698357 428198415 /nfs/dbraw/zinc/19/84/15/428198415.db2.gz MLHZRCKZAULVDX-INIZCTEOSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)s1 ZINC000377698357 428198422 /nfs/dbraw/zinc/19/84/22/428198422.db2.gz MLHZRCKZAULVDX-INIZCTEOSA-N 2 1 307.507 2.658 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@@H]2C[C@H](OC(C)(C)C)C2(C)C)CCOCC1 ZINC000414079346 428200526 /nfs/dbraw/zinc/20/05/26/428200526.db2.gz BZVIJADZQHPZOL-CABCVRRESA-N 2 1 312.498 2.669 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000414088591 428203096 /nfs/dbraw/zinc/20/30/96/428203096.db2.gz CAYFMBWDHYGJMW-MAUKXSAKSA-N 2 1 317.477 2.875 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000414088591 428203103 /nfs/dbraw/zinc/20/31/03/428203103.db2.gz CAYFMBWDHYGJMW-MAUKXSAKSA-N 2 1 317.477 2.875 20 0 DFADMP CC[C@H](C)[C@@H](C)C(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@H+]1CC ZINC000356498856 428205056 /nfs/dbraw/zinc/20/50/56/428205056.db2.gz ACQPWVPBVTUEHC-BBWFWOEESA-N 2 1 311.514 2.543 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000346663620 428263525 /nfs/dbraw/zinc/26/35/25/428263525.db2.gz BZAPDFAULDJQDK-ZYHUDNBSSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000346663620 428263528 /nfs/dbraw/zinc/26/35/28/428263528.db2.gz BZAPDFAULDJQDK-ZYHUDNBSSA-N 2 1 320.330 2.936 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)C(C)(C)C ZINC000370659436 428264382 /nfs/dbraw/zinc/26/43/82/428264382.db2.gz COUWAKITCQAUGU-MWDXBVQZSA-N 2 1 312.498 2.527 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346668532 428266820 /nfs/dbraw/zinc/26/68/20/428266820.db2.gz IUEFNZCKCYHOLQ-WMZOPIPTSA-N 2 1 303.494 2.814 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1ccccn1 ZINC000346677835 428268070 /nfs/dbraw/zinc/26/80/70/428268070.db2.gz LRKPLTPPZMOCMZ-HOTGVXAUSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(Cc2cccs2)CC1 ZINC000370677318 428270780 /nfs/dbraw/zinc/27/07/80/428270780.db2.gz UYFKPTLRRUUXST-UHFFFAOYSA-N 2 1 318.490 2.897 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000346683576 428270835 /nfs/dbraw/zinc/27/08/35/428270835.db2.gz PEFLRSDXNRMZSI-QWHCGFSZSA-N 2 1 318.852 2.910 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000346683576 428270840 /nfs/dbraw/zinc/27/08/40/428270840.db2.gz PEFLRSDXNRMZSI-QWHCGFSZSA-N 2 1 318.852 2.910 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[N@@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000352851961 428278878 /nfs/dbraw/zinc/27/88/78/428278878.db2.gz JEVKJYRKBDJDRI-CGTJXYLNSA-N 2 1 321.509 2.511 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[N@H+]2CCC[C@@H]2C(=O)N(C)C)C1 ZINC000352851961 428278883 /nfs/dbraw/zinc/27/88/83/428278883.db2.gz JEVKJYRKBDJDRI-CGTJXYLNSA-N 2 1 321.509 2.511 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000370712005 428280190 /nfs/dbraw/zinc/28/01/90/428280190.db2.gz YZOYOZMFUZQYTP-RHSMWYFYSA-N 2 1 307.507 2.514 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000370712004 428282134 /nfs/dbraw/zinc/28/21/34/428282134.db2.gz YZOYOZMFUZQYTP-PBHICJAKSA-N 2 1 307.507 2.514 20 0 DFADMP Cn1ccnc1[C@@H]1CCCN(Cc2nc(-c3ccccc3)no2)C1 ZINC000370726209 428284043 /nfs/dbraw/zinc/28/40/43/428284043.db2.gz ZFGJQVUMQUCLCZ-OAHLLOKOSA-N 2 1 323.400 2.850 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000370726049 428284670 /nfs/dbraw/zinc/28/46/70/428284670.db2.gz XXKJRMUQYWJNJH-MRXNPFEDSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000370726049 428284674 /nfs/dbraw/zinc/28/46/74/428284674.db2.gz XXKJRMUQYWJNJH-MRXNPFEDSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2nccn2C)C1 ZINC000370726049 428284678 /nfs/dbraw/zinc/28/46/78/428284678.db2.gz XXKJRMUQYWJNJH-MRXNPFEDSA-N 3 1 301.438 2.585 20 0 DFADMP COc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)c1OC ZINC000342054783 428286298 /nfs/dbraw/zinc/28/62/98/428286298.db2.gz ASCAJLRSVOWYBW-ZDUSSCGKSA-N 2 1 317.433 2.943 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000360415045 428290001 /nfs/dbraw/zinc/29/00/01/428290001.db2.gz VASHGEKKWPVYML-YLJYHZDGSA-N 2 1 315.505 2.889 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000342079071 428293485 /nfs/dbraw/zinc/29/34/85/428293485.db2.gz DGXLUTFSWFKFTM-LAQRGFTBSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1C ZINC000342079071 428293486 /nfs/dbraw/zinc/29/34/86/428293486.db2.gz DGXLUTFSWFKFTM-LAQRGFTBSA-N 2 1 315.461 2.690 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000377839127 428242751 /nfs/dbraw/zinc/24/27/51/428242751.db2.gz GJQQAOGBBKSQRN-NUEKZKHPSA-N 2 1 321.490 2.911 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@@H]2CCC[C@H]21 ZINC000370583278 428245598 /nfs/dbraw/zinc/24/55/98/428245598.db2.gz IVRFQTHUKAYLHF-SOUVJXGZSA-N 2 1 309.841 2.576 20 0 DFADMP CCc1ncc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)cn1 ZINC000414276638 428247759 /nfs/dbraw/zinc/24/77/59/428247759.db2.gz YEXRISUSIOBBDD-UHFFFAOYSA-N 2 1 310.445 2.925 20 0 DFADMP C[N@@H+](Cc1ncccc1C(F)(F)F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377861008 428247934 /nfs/dbraw/zinc/24/79/34/428247934.db2.gz OXQFRHVRQJBWAN-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1ncccc1C(F)(F)F)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377861008 428247937 /nfs/dbraw/zinc/24/79/37/428247937.db2.gz OXQFRHVRQJBWAN-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000377862807 428250391 /nfs/dbraw/zinc/25/03/91/428250391.db2.gz ZFZMMSCEMNWIHZ-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c(OC)c1 ZINC000377862807 428250397 /nfs/dbraw/zinc/25/03/97/428250397.db2.gz ZFZMMSCEMNWIHZ-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(OC)c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377866275 428250485 /nfs/dbraw/zinc/25/04/85/428250485.db2.gz WZPIDYCVWALPIV-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(OC)c(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377866275 428250488 /nfs/dbraw/zinc/25/04/88/428250488.db2.gz WZPIDYCVWALPIV-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)cc1OCC(C)C ZINC000346646605 428253830 /nfs/dbraw/zinc/25/38/30/428253830.db2.gz OQHKFULNUBMGCY-GDBMZVCRSA-N 2 1 306.450 2.899 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cn(C)nc1-c1cccs1 ZINC000346651324 428256322 /nfs/dbraw/zinc/25/63/22/428256322.db2.gz HGLWZPFXLVWSBY-AWEZNQCLSA-N 2 1 306.479 2.954 20 0 DFADMP Cn1c(CC[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)nc2ccccc21 ZINC000370626851 428256655 /nfs/dbraw/zinc/25/66/55/428256655.db2.gz MZWGYXIESBYWIP-HNNXBMFYSA-N 2 1 323.444 2.507 20 0 DFADMP Cn1c(CC[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)nc2ccccc21 ZINC000370626851 428256663 /nfs/dbraw/zinc/25/66/63/428256663.db2.gz MZWGYXIESBYWIP-HNNXBMFYSA-N 2 1 323.444 2.507 20 0 DFADMP C[C@@H](O)CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000352813494 428260119 /nfs/dbraw/zinc/26/01/19/428260119.db2.gz BTEZGRNWRXFXSJ-MJGOQNOKSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](O)CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352813494 428260123 /nfs/dbraw/zinc/26/01/23/428260123.db2.gz BTEZGRNWRXFXSJ-MJGOQNOKSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H](O)CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352813494 428260130 /nfs/dbraw/zinc/26/01/30/428260130.db2.gz BTEZGRNWRXFXSJ-MJGOQNOKSA-N 2 1 302.462 2.745 20 0 DFADMP CSC1(C[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCC1 ZINC000378128360 428314705 /nfs/dbraw/zinc/31/47/05/428314705.db2.gz IJWSIVUZOWQJCN-UHFFFAOYSA-N 2 1 320.506 2.938 20 0 DFADMP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000352928071 428316876 /nfs/dbraw/zinc/31/68/76/428316876.db2.gz BRULBIDXJFUUTB-BBRMVZONSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NCc1ccc(OC(C)(C)C)nc1 ZINC000352928071 428316880 /nfs/dbraw/zinc/31/68/80/428316880.db2.gz BRULBIDXJFUUTB-BBRMVZONSA-N 2 1 303.450 2.831 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000378168767 428325509 /nfs/dbraw/zinc/32/55/09/428325509.db2.gz MGUJWKYBKFBHJX-QAPCUYQASA-N 2 1 316.493 2.679 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3C[C@@H](C)O[C@H]3C)sc2C1 ZINC000414514438 428327810 /nfs/dbraw/zinc/32/78/10/428327810.db2.gz LNNYTHSPVJOVIW-HZSPNIEDSA-N 2 1 323.506 2.813 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3C[C@@H](C)O[C@H]3C)sc2C1 ZINC000414514438 428327814 /nfs/dbraw/zinc/32/78/14/428327814.db2.gz LNNYTHSPVJOVIW-HZSPNIEDSA-N 2 1 323.506 2.813 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccc(OCC(F)F)cc3)C[C@H]21 ZINC000346813222 428327819 /nfs/dbraw/zinc/32/78/19/428327819.db2.gz ADAMEXVPOWTHQE-NUEKZKHPSA-N 2 1 310.388 2.890 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000356835045 428329629 /nfs/dbraw/zinc/32/96/29/428329629.db2.gz BEUWFLRUBHNECS-MRXNPFEDSA-N 2 1 307.507 2.740 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000356835045 428329634 /nfs/dbraw/zinc/32/96/34/428329634.db2.gz BEUWFLRUBHNECS-MRXNPFEDSA-N 2 1 307.507 2.740 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c(-c2cccs2)n1 ZINC000346824061 428331249 /nfs/dbraw/zinc/33/12/49/428331249.db2.gz KWIOQPTWQGRQHE-NWANDNLSSA-N 2 1 316.474 2.708 20 0 DFADMP C[C@@H]1C[C@H](O)C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000414527274 428331320 /nfs/dbraw/zinc/33/13/20/428331320.db2.gz QWCOVMVJADQTJT-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](O)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000414527274 428331325 /nfs/dbraw/zinc/33/13/25/428331325.db2.gz QWCOVMVJADQTJT-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@H](O)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000414527274 428331329 /nfs/dbraw/zinc/33/13/29/428331329.db2.gz QWCOVMVJADQTJT-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP c1cc2c(c([C@@H]3CCC[N@@H+]3C[C@@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000346825097 428331452 /nfs/dbraw/zinc/33/14/52/428331452.db2.gz ANVQMNUYKQVDNU-ZBFHGGJFSA-N 2 1 302.418 2.594 20 0 DFADMP Cc1cnn(CC[N@H+]2CC[C@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000342171896 428333282 /nfs/dbraw/zinc/33/32/82/428333282.db2.gz RGVLHBORWXYGRN-INIZCTEOSA-N 2 1 313.449 2.522 20 0 DFADMP Cc1cnn(CC[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000342171896 428333292 /nfs/dbraw/zinc/33/32/92/428333292.db2.gz RGVLHBORWXYGRN-INIZCTEOSA-N 2 1 313.449 2.522 20 0 DFADMP Cc1cnn(CC[N@H+]2CC[C@@H](n3c(C)nc4c3CCCC4)C2)c1 ZINC000342171908 428333431 /nfs/dbraw/zinc/33/34/31/428333431.db2.gz RGVLHBORWXYGRN-MRXNPFEDSA-N 2 1 313.449 2.522 20 0 DFADMP Cc1cnn(CC[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)c1 ZINC000342171908 428333436 /nfs/dbraw/zinc/33/34/36/428333436.db2.gz RGVLHBORWXYGRN-MRXNPFEDSA-N 2 1 313.449 2.522 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378209231 428335151 /nfs/dbraw/zinc/33/51/51/428335151.db2.gz JYQUECGBASSKBR-KKUMJFAQSA-N 2 1 306.454 2.543 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346833667 428336630 /nfs/dbraw/zinc/33/66/30/428336630.db2.gz MHKNMESRVSTDCX-JQHSSLGASA-N 2 1 310.445 2.944 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cnccc3C)C2)nc(C)[nH+]1 ZINC000378219750 428338930 /nfs/dbraw/zinc/33/89/30/428338930.db2.gz IVRRVDOBUUHWIY-QGZVFWFLSA-N 2 1 311.433 2.555 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OC ZINC000346837228 428339066 /nfs/dbraw/zinc/33/90/66/428339066.db2.gz PQPZPGKGCUIZRK-HRCADAONSA-N 2 1 304.434 2.653 20 0 DFADMP COc1cccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1OC(C)C ZINC000346843591 428342665 /nfs/dbraw/zinc/34/26/65/428342665.db2.gz KICIBFWGHBJKFG-NUEKZKHPSA-N 2 1 304.434 2.652 20 0 DFADMP CCOCc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346844748 428342713 /nfs/dbraw/zinc/34/27/13/428342713.db2.gz JWHIPOSZAJCDDH-RYQLBKOJSA-N 2 1 318.461 2.791 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346849931 428344090 /nfs/dbraw/zinc/34/40/90/428344090.db2.gz GPMDQYYQIWFIRA-OBJOEFQTSA-N 2 1 310.825 2.526 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346849931 428344096 /nfs/dbraw/zinc/34/40/96/428344096.db2.gz GPMDQYYQIWFIRA-OBJOEFQTSA-N 2 1 310.825 2.526 20 0 DFADMP CC(C)CSCCC[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000378248770 428346309 /nfs/dbraw/zinc/34/63/09/428346309.db2.gz ZXGRQFAXQHESDA-YESZJQIVSA-N 2 1 314.539 2.949 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)s1 ZINC000346856845 428347696 /nfs/dbraw/zinc/34/76/96/428347696.db2.gz PRXWJCCCDPNLJX-NWANDNLSSA-N 2 1 308.495 2.549 20 0 DFADMP CC1(C)CN(C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000346855563 428347889 /nfs/dbraw/zinc/34/78/89/428347889.db2.gz ODZPGKGGYCTGDC-GOSISDBHSA-N 2 1 301.478 2.582 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000353006904 428350031 /nfs/dbraw/zinc/35/00/31/428350031.db2.gz IURSGJAOHJLZRW-HNNXBMFYSA-N 2 1 321.428 2.636 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(C2CCCCC2)n1 ZINC000346858820 428350861 /nfs/dbraw/zinc/35/08/61/428350861.db2.gz RXYNDGSZDWGMRE-XIRDDKMYSA-N 2 1 302.466 2.637 20 0 DFADMP CC[N@H+](Cc1ccc(OC)cc1OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414735110 428390451 /nfs/dbraw/zinc/39/04/51/428390451.db2.gz BXUNOHTXSDPCSE-CABCVRRESA-N 2 1 306.450 2.914 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCNC[C@H]2c2cccc(Cl)c2)CC[NH2+]1 ZINC000414739236 428390756 /nfs/dbraw/zinc/39/07/56/428390756.db2.gz PWQQDGLNJVBZAG-KEYYUXOJSA-N 2 1 307.869 2.674 20 0 DFADMP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@H](C)C2)Cc2ccccc21 ZINC000414748306 428391927 /nfs/dbraw/zinc/39/19/27/428391927.db2.gz NXOHZULDJUVMNC-RVKKMQEKSA-N 2 1 316.445 2.537 20 0 DFADMP Fc1ccc(C2([NH2+]C[C@@H]3CCC[NH2+]C3)CCOCC2)c(F)c1 ZINC000346980887 428394955 /nfs/dbraw/zinc/39/49/55/428394955.db2.gz MCJOUGOVCJMQSX-CYBMUJFWSA-N 2 1 310.388 2.560 20 0 DFADMP C[C@H]1C[N@@H+](CCCC2CCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000360689027 428399765 /nfs/dbraw/zinc/39/97/65/428399765.db2.gz DPNYVZXGKGNOBR-HKUYNNGSSA-N 2 1 307.526 2.915 20 0 DFADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414773079 428401031 /nfs/dbraw/zinc/40/10/31/428401031.db2.gz CTYDDMYRJAPCLL-YCPHGPKFSA-N 2 1 321.490 2.816 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)c(Cl)c2)CC12CCOCC2 ZINC000414773267 428402188 /nfs/dbraw/zinc/40/21/88/428402188.db2.gz DHJBHCDNXLMGIS-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)c(Cl)c2)CC12CCOCC2 ZINC000414773267 428402193 /nfs/dbraw/zinc/40/21/93/428402193.db2.gz DHJBHCDNXLMGIS-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP COC(=O)C[C@@](C)(NCC[C@@H]1CCC[N@H+]1C)c1cccc(F)c1 ZINC000353152524 428407079 /nfs/dbraw/zinc/40/70/79/428407079.db2.gz XFNMDICJPZKIPO-FUHWJXTLSA-N 2 1 322.424 2.678 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(C)n1 ZINC000414789675 428408931 /nfs/dbraw/zinc/40/89/31/428408931.db2.gz YKSSZUSSGNTWQL-JKSUJKDBSA-N 2 1 303.450 2.529 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cc3cc(F)ccc3o2)CC12CCOCC2 ZINC000414788096 428409782 /nfs/dbraw/zinc/40/97/82/428409782.db2.gz WFFQPWOMDXYMLF-CQSZACIVSA-N 2 1 318.392 2.759 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C1CC[NH2+]CC1 ZINC000414789385 428410192 /nfs/dbraw/zinc/41/01/92/428410192.db2.gz NVQPKKOFOWLKFX-UHFFFAOYSA-N 2 1 312.461 2.698 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789269 428410338 /nfs/dbraw/zinc/41/03/38/428410338.db2.gz YHKNACVJYJHUHW-IAGOWNOFSA-N 2 1 310.445 2.898 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789269 428410342 /nfs/dbraw/zinc/41/03/42/428410342.db2.gz YHKNACVJYJHUHW-IAGOWNOFSA-N 2 1 310.445 2.898 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414789269 428410349 /nfs/dbraw/zinc/41/03/49/428410349.db2.gz YHKNACVJYJHUHW-IAGOWNOFSA-N 2 1 310.445 2.898 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414789695 428410514 /nfs/dbraw/zinc/41/05/14/428410514.db2.gz YLXLOYLZSJRCFH-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)cs1 ZINC000414792829 428411936 /nfs/dbraw/zinc/41/19/36/428411936.db2.gz STZSVVNXIHHYDW-CABCVRRESA-N 2 1 309.479 2.595 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](Cc2c(F)cccc2Cl)CC1 ZINC000414791183 428412638 /nfs/dbraw/zinc/41/26/38/428412638.db2.gz QQVJRQXLMSLAGN-CVEARBPZSA-N 2 1 312.816 2.807 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347026994 428412943 /nfs/dbraw/zinc/41/29/43/428412943.db2.gz QNYPSZGVNZKXSZ-QKPAOTATSA-N 2 1 311.514 2.636 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@@H+]3CCC[C@H]3CO1)CCC2 ZINC000371106355 428360688 /nfs/dbraw/zinc/36/06/88/428360688.db2.gz KBEJRRMMQWDXRM-YQVWRLOYSA-N 2 1 300.446 2.825 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1C[N@H+]3CCC[C@H]3CO1)CCC2 ZINC000371106355 428360693 /nfs/dbraw/zinc/36/06/93/428360693.db2.gz KBEJRRMMQWDXRM-YQVWRLOYSA-N 2 1 300.446 2.825 20 0 DFADMP Cc1cc([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)[nH]n1 ZINC000360605243 428365952 /nfs/dbraw/zinc/36/59/52/428365952.db2.gz UISUVETZEHMLMD-MRXNPFEDSA-N 2 1 301.438 2.883 20 0 DFADMP Cc1cc([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)[nH]n1 ZINC000360605243 428365958 /nfs/dbraw/zinc/36/59/58/428365958.db2.gz UISUVETZEHMLMD-MRXNPFEDSA-N 2 1 301.438 2.883 20 0 DFADMP Cc1cc([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n[nH]1 ZINC000360605243 428365963 /nfs/dbraw/zinc/36/59/63/428365963.db2.gz UISUVETZEHMLMD-MRXNPFEDSA-N 2 1 301.438 2.883 20 0 DFADMP Cc1cc([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n[nH]1 ZINC000360605243 428365970 /nfs/dbraw/zinc/36/59/70/428365970.db2.gz UISUVETZEHMLMD-MRXNPFEDSA-N 2 1 301.438 2.883 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360615427 428367344 /nfs/dbraw/zinc/36/73/44/428367344.db2.gz RJDCZFVTSBWFPF-RBSFLKMASA-N 2 1 300.450 2.956 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360615427 428367349 /nfs/dbraw/zinc/36/73/49/428367349.db2.gz RJDCZFVTSBWFPF-RBSFLKMASA-N 2 1 300.450 2.956 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1F ZINC000346909394 428367342 /nfs/dbraw/zinc/36/73/42/428367342.db2.gz GMYMXTYGPBIKLD-YSVLISHTSA-N 2 1 306.425 2.697 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@H]3CCC[NH2+][C@@H]3C2)cc1F ZINC000346909394 428367348 /nfs/dbraw/zinc/36/73/48/428367348.db2.gz GMYMXTYGPBIKLD-YSVLISHTSA-N 2 1 306.425 2.697 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000414663840 428367457 /nfs/dbraw/zinc/36/74/57/428367457.db2.gz RWHZRUUTSQGUIZ-NXEZZACHSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)s1 ZINC000414663840 428367460 /nfs/dbraw/zinc/36/74/60/428367460.db2.gz RWHZRUUTSQGUIZ-NXEZZACHSA-N 2 1 303.269 2.988 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000346906714 428367424 /nfs/dbraw/zinc/36/74/24/428367424.db2.gz JUOBCUOKGZVQSL-ZTOOSOLZSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414674462 428370692 /nfs/dbraw/zinc/37/06/92/428370692.db2.gz SAZIGPOVYFUIDD-OAGGEKHMSA-N 2 1 313.449 2.648 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414674782 428371384 /nfs/dbraw/zinc/37/13/84/428371384.db2.gz FDOHMAPNCBTVSJ-CABCVRRESA-N 2 1 303.450 2.507 20 0 DFADMP Brc1cncc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1 ZINC000357050458 428373778 /nfs/dbraw/zinc/37/37/78/428373778.db2.gz MMYRVVGYRQOEBH-CQSZACIVSA-N 2 1 324.266 2.666 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC[NH2+]1 ZINC000414693709 428378950 /nfs/dbraw/zinc/37/89/50/428378950.db2.gz MXADPNLDBNGLCW-HLLBOEOZSA-N 2 1 316.445 2.983 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)Cc2nccn2Cc2ccccc2)CC[NH2+]1 ZINC000414692251 428379688 /nfs/dbraw/zinc/37/96/88/428379688.db2.gz KPQYFFXKJUUDCH-AEFFLSMTSA-N 2 1 312.461 2.751 20 0 DFADMP C[C@H]1C[C@H](C[N@H+]2CCc3c(ncn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414714294 428382640 /nfs/dbraw/zinc/38/26/40/428382640.db2.gz UZHIPTMFCPEHBN-JKSUJKDBSA-N 2 1 310.445 2.619 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000371347906 428385395 /nfs/dbraw/zinc/38/53/95/428385395.db2.gz PRNGSEVBSAKZLJ-PXNSSMCTSA-N 2 1 324.472 2.721 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C[C@H]1c1ccccc1)c1ccccn1 ZINC000371347906 428385399 /nfs/dbraw/zinc/38/53/99/428385399.db2.gz PRNGSEVBSAKZLJ-PXNSSMCTSA-N 2 1 324.472 2.721 20 0 DFADMP Cc1ccc2ncc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)n2c1 ZINC000360777130 428433517 /nfs/dbraw/zinc/43/35/17/428433517.db2.gz KBMCQDXXEXFVGA-NJAFHUGGSA-N 2 1 310.445 2.559 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000414847710 428433991 /nfs/dbraw/zinc/43/39/91/428433991.db2.gz FXZAFIFUGAEEOB-QFHJOOASSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)C1 ZINC000414847710 428433997 /nfs/dbraw/zinc/43/39/97/428433997.db2.gz FXZAFIFUGAEEOB-QFHJOOASSA-N 2 1 301.478 2.800 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347075883 428434414 /nfs/dbraw/zinc/43/44/14/428434414.db2.gz UUXSKAAIQNMGEK-CYBMUJFWSA-N 2 1 302.340 2.669 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)C1 ZINC000347075883 428434419 /nfs/dbraw/zinc/43/44/19/428434419.db2.gz UUXSKAAIQNMGEK-CYBMUJFWSA-N 2 1 302.340 2.669 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(-c3cccnc3)n[nH]2)[C@@H](C)C1 ZINC000372403463 428439961 /nfs/dbraw/zinc/43/99/61/428439961.db2.gz DCUSKCCOIUBAHG-KSSFIOAISA-N 2 1 313.449 2.634 20 0 DFADMP c1ccc2c(c1)C=C(CN1C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C1)CO2 ZINC000360791574 428440043 /nfs/dbraw/zinc/44/00/43/428440043.db2.gz OGAYEABNTQUEBN-CEXWTWQISA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[N@@H+]1C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C1)CO2 ZINC000360791574 428440046 /nfs/dbraw/zinc/44/00/46/428440046.db2.gz OGAYEABNTQUEBN-CEXWTWQISA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[N@H+]1C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C1)CO2 ZINC000360791574 428440050 /nfs/dbraw/zinc/44/00/50/428440050.db2.gz OGAYEABNTQUEBN-CEXWTWQISA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[NH+]1C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C1)CO2 ZINC000360791574 428440053 /nfs/dbraw/zinc/44/00/53/428440053.db2.gz OGAYEABNTQUEBN-CEXWTWQISA-N 2 1 310.441 2.879 20 0 DFADMP c1ccc2c(c1)C=C(C[NH+]1C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C1)CO2 ZINC000360791574 428440060 /nfs/dbraw/zinc/44/00/60/428440060.db2.gz OGAYEABNTQUEBN-CEXWTWQISA-N 2 1 310.441 2.879 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H]1CCC[C@@H](C)C1 ZINC000357221101 428440676 /nfs/dbraw/zinc/44/06/76/428440676.db2.gz QMJFTFXXQSTSFO-KZNAEPCWSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C1CCC(F)(F)CC1 ZINC000353237725 428444998 /nfs/dbraw/zinc/44/49/98/428444998.db2.gz UIYLPWFVDIUFEZ-ZDUSSCGKSA-N 2 1 304.425 2.637 20 0 DFADMP CN(CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1CC[NH2+]CC1 ZINC000347103289 428447320 /nfs/dbraw/zinc/44/73/20/428447320.db2.gz MJKXQKJXXIYYGR-UHFFFAOYSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1C[NH2+]CC[C@H]1C ZINC000414908231 428452111 /nfs/dbraw/zinc/45/21/11/428452111.db2.gz BDRZSRDGJXBRLJ-LALPHHSUSA-N 2 1 311.267 2.968 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000379644471 428452396 /nfs/dbraw/zinc/45/23/96/428452396.db2.gz CIAWWLQWKFCLFH-RYQLBKOJSA-N 2 1 317.477 2.529 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379644468 428452413 /nfs/dbraw/zinc/45/24/13/428452413.db2.gz CIAWWLQWKFCLFH-BPQIPLTHSA-N 2 1 317.477 2.529 20 0 DFADMP Fc1ccc(CCN2CCC([NH2+]CC[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000414910983 428455459 /nfs/dbraw/zinc/45/54/59/428455459.db2.gz WABTZAUIGXXXNT-GOSISDBHSA-N 2 1 319.468 2.564 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CCN(CCc3ccccc3)CC2)C1 ZINC000414910480 428455630 /nfs/dbraw/zinc/45/56/30/428455630.db2.gz CWVVMCQWEUXFCP-PKOBYXMFSA-N 2 1 301.478 2.553 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414910480 428455632 /nfs/dbraw/zinc/45/56/32/428455632.db2.gz CWVVMCQWEUXFCP-PKOBYXMFSA-N 3 1 301.478 2.553 20 0 DFADMP c1cc(C2([NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)CC2)cc2c1OCO2 ZINC000347121117 428455791 /nfs/dbraw/zinc/45/57/91/428455791.db2.gz CHGMGOATOXTYSI-LSDHHAIUSA-N 2 1 300.402 2.621 20 0 DFADMP CCc1ccc(CC[N@@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000360834439 428455771 /nfs/dbraw/zinc/45/57/71/428455771.db2.gz JZNUNPBVTSFAJU-HXUWFJFHSA-N 2 1 315.505 2.503 20 0 DFADMP c1cc(C2([NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc2c1OCO2 ZINC000347121117 428455794 /nfs/dbraw/zinc/45/57/94/428455794.db2.gz CHGMGOATOXTYSI-LSDHHAIUSA-N 2 1 300.402 2.621 20 0 DFADMP CCc1ccc(CC[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)cc1 ZINC000360834438 428457056 /nfs/dbraw/zinc/45/70/56/428457056.db2.gz JZNUNPBVTSFAJU-FQEVSTJZSA-N 2 1 315.505 2.503 20 0 DFADMP CC1(C)CC[C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000360834574 428457112 /nfs/dbraw/zinc/45/71/12/428457112.db2.gz JBCSYFRGSXSYCJ-QAPCUYQASA-N 2 1 302.462 2.845 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2cc(O)ccc2Br)CC1 ZINC000347127098 428458427 /nfs/dbraw/zinc/45/84/27/428458427.db2.gz YMQLZPSGFHNEHP-UHFFFAOYSA-N 2 1 313.239 2.586 20 0 DFADMP Cc1cnc(CN2CCC[N@H+](Cc3ccccc3)C[C@@H]2C)n1C ZINC000342790841 428459007 /nfs/dbraw/zinc/45/90/07/428459007.db2.gz NEHRFCZSGFVQGN-KRWDZBQOSA-N 2 1 312.461 2.825 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000342805115 428460334 /nfs/dbraw/zinc/46/03/34/428460334.db2.gz DBHWOWBTXLAHGW-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC[N@@H+](C)C1CCCCC1)c1ccccc1 ZINC000342805115 428460339 /nfs/dbraw/zinc/46/03/39/428460339.db2.gz DBHWOWBTXLAHGW-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000372541678 428460971 /nfs/dbraw/zinc/46/09/71/428460971.db2.gz ACFSAVXLOHOERH-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000372541678 428460977 /nfs/dbraw/zinc/46/09/77/428460977.db2.gz ACFSAVXLOHOERH-CQSZACIVSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc2c(c1)CC[N@H+](CCC[NH+]1CCCCC1)CC2 ZINC000372549057 428461762 /nfs/dbraw/zinc/46/17/62/428461762.db2.gz XCCPTQPZYQXWOM-UHFFFAOYSA-N 2 1 302.462 2.972 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414954406 428470818 /nfs/dbraw/zinc/47/08/18/428470818.db2.gz KPWIZWIONQSCGT-SJCJKPOMSA-N 2 1 318.852 2.922 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC000414946771 428465238 /nfs/dbraw/zinc/46/52/38/428465238.db2.gz KCSKDRSXWUKRAW-GXSJLCMTSA-N 2 1 301.203 2.818 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC000414946773 428465837 /nfs/dbraw/zinc/46/58/37/428465837.db2.gz KCSKDRSXWUKRAW-KOLCDFICSA-N 2 1 301.203 2.818 20 0 DFADMP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000414797365 428415503 /nfs/dbraw/zinc/41/55/03/428415503.db2.gz IOGOOVZVCRNRTM-SUMWQHHRSA-N 2 1 303.450 2.854 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347037984 428417681 /nfs/dbraw/zinc/41/76/81/428417681.db2.gz HXYYARSOKIAIOY-LIRRHRJNSA-N 2 1 312.461 2.717 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000347037984 428417685 /nfs/dbraw/zinc/41/76/85/428417685.db2.gz HXYYARSOKIAIOY-LIRRHRJNSA-N 2 1 312.461 2.717 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@@]12C[NH2+]C[C@H]1CCCC2 ZINC000357172558 428418197 /nfs/dbraw/zinc/41/81/97/428418197.db2.gz IMDNRSFULBGEIZ-LMMKCTJWSA-N 2 1 321.509 2.537 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@@H]([C@@H](C)[NH3+])C3)cnc21 ZINC000347037858 428418651 /nfs/dbraw/zinc/41/86/51/428418651.db2.gz FZTKGPDDKVXUNC-UKRRQHHQSA-N 2 1 301.438 2.571 20 0 DFADMP C[C@H]1CN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[C@@H]1[NH3+] ZINC000347045686 428422681 /nfs/dbraw/zinc/42/26/81/428422681.db2.gz NXEXPSMBBVBMKO-WMZOPIPTSA-N 2 1 303.494 2.814 20 0 DFADMP CCOC(=O)[C@@H](CC)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000378540902 428424031 /nfs/dbraw/zinc/42/40/31/428424031.db2.gz QZXKBEGGMUSTLM-QGZVFWFLSA-N 2 1 319.449 2.572 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414835783 428426828 /nfs/dbraw/zinc/42/68/28/428426828.db2.gz HUQLEIGGZSDTSW-HOCLYGCPSA-N 2 1 305.466 2.929 20 0 DFADMP C[NH+](C)[C@@H]1CCc2ccccc2[C@@H]1N[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000360758269 428427251 /nfs/dbraw/zinc/42/72/51/428427251.db2.gz GCKRYMIMYZFUFM-LFGUQSLTSA-N 2 1 313.489 2.821 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2c[nH]nc2-c2ccccc2F)CCCCC1 ZINC000414839890 428429689 /nfs/dbraw/zinc/42/96/89/428429689.db2.gz JWHOBKQZAJSACK-UHFFFAOYSA-N 2 1 302.397 2.967 20 0 DFADMP C[C@H]([NH2+]C1CCN(CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414847583 428432769 /nfs/dbraw/zinc/43/27/69/428432769.db2.gz FUTVUJMSRHRFRQ-PKOBYXMFSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000414847583 428432775 /nfs/dbraw/zinc/43/27/75/428432775.db2.gz FUTVUJMSRHRFRQ-PKOBYXMFSA-N 3 1 315.505 2.671 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201800 428480878 /nfs/dbraw/zinc/48/08/78/428480878.db2.gz JOGUESHMPXDKFH-HOTGVXAUSA-N 2 1 323.481 2.531 20 0 DFADMP C[C@H](C[NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1 ZINC000372675462 428483966 /nfs/dbraw/zinc/48/39/66/428483966.db2.gz OHQGKCFZZRRXHN-XYPHTWIQSA-N 2 1 308.853 2.896 20 0 DFADMP C[C@H](C[NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1cccc(Cl)c1 ZINC000372675462 428483968 /nfs/dbraw/zinc/48/39/68/428483968.db2.gz OHQGKCFZZRRXHN-XYPHTWIQSA-N 2 1 308.853 2.896 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414998393 428484951 /nfs/dbraw/zinc/48/49/51/428484951.db2.gz IXCASIJJXCFTGF-HIFRSBDPSA-N 2 1 312.404 2.851 20 0 DFADMP C[C@H](C[NH2+]C[C@@H]1C[N@@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1 ZINC000372675461 428485300 /nfs/dbraw/zinc/48/53/00/428485300.db2.gz OHQGKCFZZRRXHN-XOKHGSTOSA-N 2 1 308.853 2.896 20 0 DFADMP C[C@H](C[NH2+]C[C@@H]1C[N@H+]2CCC[C@H]2CO1)c1cccc(Cl)c1 ZINC000372675461 428485303 /nfs/dbraw/zinc/48/53/03/428485303.db2.gz OHQGKCFZZRRXHN-XOKHGSTOSA-N 2 1 308.853 2.896 20 0 DFADMP Fc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c2ncccc12 ZINC000415004148 428486355 /nfs/dbraw/zinc/48/63/55/428486355.db2.gz NWGWWFVWLCXLLS-GFCCVEGCSA-N 2 1 309.335 2.708 20 0 DFADMP COc1ccc2oc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)cc2c1 ZINC000415009419 428488055 /nfs/dbraw/zinc/48/80/55/428488055.db2.gz XHABGHACLRJPNJ-LBPRGKRZSA-N 2 1 310.344 2.776 20 0 DFADMP CC(C)Cc1ncc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)s1 ZINC000415008849 428488076 /nfs/dbraw/zinc/48/80/76/428488076.db2.gz SSDVCDZMGGCHKN-NSHDSACASA-N 2 1 303.422 2.676 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1Cl ZINC000415011888 428488485 /nfs/dbraw/zinc/48/84/85/428488485.db2.gz WJLKERVTJIPSBO-LLVKDONJSA-N 2 1 304.768 2.683 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000415009914 428488511 /nfs/dbraw/zinc/48/85/11/428488511.db2.gz XUAXDCXNXMSEPB-DJIMGWMZSA-N 2 1 323.431 2.656 20 0 DFADMP CCc1nc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000342931964 428489748 /nfs/dbraw/zinc/48/97/48/428489748.db2.gz LNZYNFZHHMDBGQ-CABCVRRESA-N 2 1 302.466 3.412 20 0 DFADMP CCc1nc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cc(C)[nH+]1 ZINC000342931964 428489754 /nfs/dbraw/zinc/48/97/54/428489754.db2.gz LNZYNFZHHMDBGQ-CABCVRRESA-N 2 1 302.466 3.412 20 0 DFADMP COc1ccc([C@H](C)C[NH+]2CCC([N@@H+](C)C[C@H](C)O)CC2)cc1 ZINC000342919311 428490626 /nfs/dbraw/zinc/49/06/26/428490626.db2.gz UCDJGASLHKXKLE-CVEARBPZSA-N 2 1 320.477 2.576 20 0 DFADMP CC[N@@H+](CCN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000360922032 428491227 /nfs/dbraw/zinc/49/12/27/428491227.db2.gz LMDZJKXCJFTFBP-IEBWSBKVSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000360922032 428491234 /nfs/dbraw/zinc/49/12/34/428491234.db2.gz LMDZJKXCJFTFBP-IEBWSBKVSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000360922032 428491239 /nfs/dbraw/zinc/49/12/39/428491239.db2.gz LMDZJKXCJFTFBP-IEBWSBKVSA-N 2 1 318.509 2.612 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCn1cc[nH+]c1C)CCCO2 ZINC000360933573 428496102 /nfs/dbraw/zinc/49/61/02/428496102.db2.gz RKFILNGBAPVOFE-INIZCTEOSA-N 2 1 301.390 2.704 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000357362167 428500386 /nfs/dbraw/zinc/50/03/86/428500386.db2.gz LDAWIICVTTUWDZ-UHFFFAOYSA-N 2 1 320.481 2.764 20 0 DFADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057242 428502601 /nfs/dbraw/zinc/50/26/01/428502601.db2.gz PKTLMSKFYZUZEX-IZBJGVDFSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057242 428502608 /nfs/dbraw/zinc/50/26/08/428502608.db2.gz PKTLMSKFYZUZEX-IZBJGVDFSA-N 2 1 315.505 2.956 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)[C@H](C)C2)C[C@@]1(C)C[NH3+] ZINC000415057242 428502614 /nfs/dbraw/zinc/50/26/14/428502614.db2.gz PKTLMSKFYZUZEX-IZBJGVDFSA-N 2 1 315.505 2.956 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1C[NH+](CC)CC ZINC000360944712 428504090 /nfs/dbraw/zinc/50/40/90/428504090.db2.gz ABEGQNAJBRTTSU-YESZJQIVSA-N 2 1 311.514 2.734 20 0 DFADMP COc1cc(C[NH2+][C@H](C[NH3+])C2CCCC2)cc(Cl)c1OC ZINC000415058575 428504327 /nfs/dbraw/zinc/50/43/27/428504327.db2.gz VSKOJOADLVGEKU-CQSZACIVSA-N 2 1 312.841 2.964 20 0 DFADMP Cc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1Cl ZINC000415058154 428505125 /nfs/dbraw/zinc/50/51/25/428505125.db2.gz SSVGGRPVNZECCV-UHFFFAOYSA-N 2 1 321.896 2.954 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060700 428506246 /nfs/dbraw/zinc/50/62/46/428506246.db2.gz XIMUDRMDZXUIGI-MNNVXMFVSA-N 2 1 319.468 2.563 20 0 DFADMP COc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415066253 428507781 /nfs/dbraw/zinc/50/77/81/428507781.db2.gz OGFKHZJAIJXMBR-GUYCJALGSA-N 2 1 319.449 2.519 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccccc1 ZINC000397377453 428508950 /nfs/dbraw/zinc/50/89/50/428508950.db2.gz DRGJAIVNWWKCHH-ZACQAIPSSA-N 2 1 317.477 2.733 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccccc1 ZINC000397377453 428508954 /nfs/dbraw/zinc/50/89/54/428508954.db2.gz DRGJAIVNWWKCHH-ZACQAIPSSA-N 2 1 317.477 2.733 20 0 DFADMP CC1=CC[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000347247608 428509247 /nfs/dbraw/zinc/50/92/47/428509247.db2.gz QWUIZVWMHXVWBZ-GOSISDBHSA-N 2 1 319.493 2.552 20 0 DFADMP Brc1ccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCC2)cc1 ZINC000415074588 428509730 /nfs/dbraw/zinc/50/97/30/428509730.db2.gz CXVUOQBLMMLYKN-AWEZNQCLSA-N 2 1 309.251 2.822 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@@H]1C[NH3+] ZINC000397338211 428509775 /nfs/dbraw/zinc/50/97/75/428509775.db2.gz CLDUSZJNSPYPAX-RDBSUJKOSA-N 2 1 323.868 2.974 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccccc1 ZINC000397377449 428510359 /nfs/dbraw/zinc/51/03/59/428510359.db2.gz DRGJAIVNWWKCHH-BRWVUGGUSA-N 2 1 317.477 2.733 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@H]1C)c1ccccc1 ZINC000397377449 428510364 /nfs/dbraw/zinc/51/03/64/428510364.db2.gz DRGJAIVNWWKCHH-BRWVUGGUSA-N 2 1 317.477 2.733 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000357391150 428511468 /nfs/dbraw/zinc/51/14/68/428511468.db2.gz LNOBPASBDRFTME-JQHSSLGASA-N 2 1 317.477 2.668 20 0 DFADMP C[N@@H+](CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCC1 ZINC000415079788 428512168 /nfs/dbraw/zinc/51/21/68/428512168.db2.gz KPDWHCUJOMGHEL-PKOBYXMFSA-N 2 1 301.478 2.944 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)c(C)c1 ZINC000353388242 428514977 /nfs/dbraw/zinc/51/49/77/428514977.db2.gz MSVITGHAJRVFQZ-HXUWFJFHSA-N 2 1 315.505 2.905 20 0 DFADMP OCc1ccc(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)cc1F ZINC000415084613 428517006 /nfs/dbraw/zinc/51/70/06/428517006.db2.gz GYNANQHGTUPVPB-MJGOQNOKSA-N 2 1 314.404 2.901 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(F)cc2F)[C@@H]2CCC[C@@H]21 ZINC000353392373 428517351 /nfs/dbraw/zinc/51/73/51/428517351.db2.gz GIXFAAMXRQXSHF-BPUTZDHNSA-N 2 1 310.388 2.806 20 0 DFADMP OC[C@@H](Cc1ccccc1)[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000415100726 428517806 /nfs/dbraw/zinc/51/78/06/428517806.db2.gz HBKOQTHTHOGBBI-ZCNNSNEGSA-N 2 1 310.441 2.673 20 0 DFADMP Brc1ccc2c(c1)[C@@H]([NH2+]C1CC[NH2+]CC1)CCO2 ZINC000415101583 428522116 /nfs/dbraw/zinc/52/21/16/428522116.db2.gz IVGPJZPKKSNJAU-ZDUSSCGKSA-N 2 1 311.223 2.614 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC(C)(C)c3ccccc3)CC2)C1 ZINC000373213760 428523044 /nfs/dbraw/zinc/52/30/44/428523044.db2.gz AHWYFSGRXJONQS-LJQANCHMSA-N 2 1 315.505 2.676 20 0 DFADMP C[C@@]1(C[N@H+]2CC[C@@H](C(F)(F)F)C3(CCOCC3)C2)CC[NH2+]C1 ZINC000415111170 428524091 /nfs/dbraw/zinc/52/40/91/428524091.db2.gz OMLJKKLJBXPLDM-ZIAGYGMSSA-N 2 1 320.399 2.667 20 0 DFADMP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1C[NH3+] ZINC000415132755 428531990 /nfs/dbraw/zinc/53/19/90/428531990.db2.gz ULEXTYOXKHGRCO-STQMWFEESA-N 2 1 302.397 2.633 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@@H]1C[NH3+] ZINC000415132755 428531994 /nfs/dbraw/zinc/53/19/94/428531994.db2.gz ULEXTYOXKHGRCO-STQMWFEESA-N 2 1 302.397 2.633 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121965 428527449 /nfs/dbraw/zinc/52/74/49/428527449.db2.gz HWFPWWDPZPPKEU-JSGCOSHPSA-N 2 1 324.490 2.842 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(SC)cc1OC ZINC000415121965 428527452 /nfs/dbraw/zinc/52/74/52/428527452.db2.gz HWFPWWDPZPPKEU-JSGCOSHPSA-N 2 1 324.490 2.842 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C[C@@H]1C[NH3+] ZINC000415123731 428528525 /nfs/dbraw/zinc/52/85/25/428528525.db2.gz JOKRTKNPTAONIW-STQMWFEESA-N 2 1 304.463 2.565 20 0 DFADMP C[N@H+](Cc1ccccc1OCc1ccccn1)C1CC[NH2+]CC1 ZINC000347158791 428473733 /nfs/dbraw/zinc/47/37/33/428473733.db2.gz FHTBMIYBUNTXHD-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP C[N@@H+](Cc1ccccc1OCc1ccccn1)C1CC[NH2+]CC1 ZINC000347158791 428473740 /nfs/dbraw/zinc/47/37/40/428473740.db2.gz FHTBMIYBUNTXHD-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)c(OC(F)F)c1 ZINC000414961801 428475373 /nfs/dbraw/zinc/47/53/73/428475373.db2.gz ZEFQOFLTVJXAAS-CMPLNLGQSA-N 2 1 300.349 2.527 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C[C@H]1C ZINC000390797587 428476387 /nfs/dbraw/zinc/47/63/87/428476387.db2.gz LBFFSWSTPBTVHM-KFWWJZLASA-N 2 1 313.486 2.610 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000390797587 428476392 /nfs/dbraw/zinc/47/63/92/428476392.db2.gz LBFFSWSTPBTVHM-KFWWJZLASA-N 2 1 313.486 2.610 20 0 DFADMP OC1(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)CCCC1 ZINC000390773600 428476520 /nfs/dbraw/zinc/47/65/20/428476520.db2.gz LHAQDOSBKQSNQO-GOSISDBHSA-N 2 1 302.462 2.793 20 0 DFADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000415131451 428532144 /nfs/dbraw/zinc/53/21/44/428532144.db2.gz SHGITCLOTMLSFZ-CMPLNLGQSA-N 2 1 302.340 2.844 20 0 DFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccc(-c2ccccc2)cc1 ZINC000391053664 428477287 /nfs/dbraw/zinc/47/72/87/428477287.db2.gz LUHIRSMQJRCXPS-UHFFFAOYSA-N 2 1 309.457 2.691 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000415131451 428532148 /nfs/dbraw/zinc/53/21/48/428532148.db2.gz SHGITCLOTMLSFZ-CMPLNLGQSA-N 2 1 302.340 2.844 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414969004 428479039 /nfs/dbraw/zinc/47/90/39/428479039.db2.gz YWZQZVINOJIMDP-MFKMUULPSA-N 2 1 313.239 2.545 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000343853587 428582945 /nfs/dbraw/zinc/58/29/45/428582945.db2.gz NTPOEXUJQNFNCK-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCCC[C@H]1C)c1ccccc1 ZINC000343853587 428582949 /nfs/dbraw/zinc/58/29/49/428582949.db2.gz NTPOEXUJQNFNCK-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000343853587 428582955 /nfs/dbraw/zinc/58/29/55/428582955.db2.gz NTPOEXUJQNFNCK-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000343853587 428582960 /nfs/dbraw/zinc/58/29/60/428582960.db2.gz NTPOEXUJQNFNCK-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)[NH+](CC)CC ZINC000358123509 428583943 /nfs/dbraw/zinc/58/39/43/428583943.db2.gz MVWIQEPVDJLRFK-JFIYKMOQSA-N 2 1 323.525 2.876 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343867909 428585752 /nfs/dbraw/zinc/58/57/52/428585752.db2.gz RBXJZMFXIWIHCC-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343867909 428585758 /nfs/dbraw/zinc/58/57/58/428585758.db2.gz RBXJZMFXIWIHCC-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343867909 428585763 /nfs/dbraw/zinc/58/57/63/428585763.db2.gz RBXJZMFXIWIHCC-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[N@H+]1CCC[C@H](C)C1)c1ccccc1 ZINC000343867909 428585765 /nfs/dbraw/zinc/58/57/65/428585765.db2.gz RBXJZMFXIWIHCC-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@H+](C(C)C)C1)C1(C(=O)OC)CCC1 ZINC000353542950 428585940 /nfs/dbraw/zinc/58/59/40/428585940.db2.gz NXLZRJDDIVEDEA-JKSUJKDBSA-N 2 1 310.482 2.818 20 0 DFADMP CO[C@@H]1C[C@H](CN(C)c2cc[nH+]c3cc(F)ccc32)[N@H+](C)C1 ZINC000343881039 428590062 /nfs/dbraw/zinc/59/00/62/428590062.db2.gz SEPYBJSIRRBJHR-ZIAGYGMSSA-N 2 1 303.381 2.529 20 0 DFADMP CO[C@@H]1C[C@H](CN(C)c2cc[nH+]c3cc(F)ccc32)[N@@H+](C)C1 ZINC000343881039 428590068 /nfs/dbraw/zinc/59/00/68/428590068.db2.gz SEPYBJSIRRBJHR-ZIAGYGMSSA-N 2 1 303.381 2.529 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000358247850 428590808 /nfs/dbraw/zinc/59/08/08/428590808.db2.gz ILWQBKYNYBCUPM-PVAVHDDUSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000358247850 428590813 /nfs/dbraw/zinc/59/08/13/428590813.db2.gz ILWQBKYNYBCUPM-PVAVHDDUSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000358256927 428592041 /nfs/dbraw/zinc/59/20/41/428592041.db2.gz RNSSYLQJRPZGQW-QAPCUYQASA-N 2 1 316.470 2.935 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCc3c4ccccc4sc32)C1 ZINC000358256927 428592045 /nfs/dbraw/zinc/59/20/45/428592045.db2.gz RNSSYLQJRPZGQW-QAPCUYQASA-N 2 1 316.470 2.935 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1C[NH3+] ZINC000415130689 428532312 /nfs/dbraw/zinc/53/23/12/428532312.db2.gz RJWVADLIWLGIHF-OCCSQVGLSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@@H]1C[NH3+] ZINC000415130689 428532315 /nfs/dbraw/zinc/53/23/15/428532315.db2.gz RJWVADLIWLGIHF-OCCSQVGLSA-N 2 1 302.447 2.622 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415138003 428534236 /nfs/dbraw/zinc/53/42/36/428534236.db2.gz UTJMHGVMQBXPTC-MSOLQXFVSA-N 2 1 300.446 2.504 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000415136667 428534650 /nfs/dbraw/zinc/53/46/50/428534650.db2.gz XMRBZTMMJCIIKD-NEPJUHHUSA-N 2 1 320.387 2.772 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@@H]1C[NH3+] ZINC000415136667 428534657 /nfs/dbraw/zinc/53/46/57/428534657.db2.gz XMRBZTMMJCIIKD-NEPJUHHUSA-N 2 1 320.387 2.772 20 0 DFADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353433970 428534969 /nfs/dbraw/zinc/53/49/69/428534969.db2.gz HSWSVXAHXCRXMS-GVDBMIGSSA-N 2 1 304.434 2.666 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399205626 428536243 /nfs/dbraw/zinc/53/62/43/428536243.db2.gz VOIZWGZTFXCJAJ-HIFRSBDPSA-N 2 1 322.453 2.569 20 0 DFADMP CC1(C)CCC(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)CC1 ZINC000415144559 428537866 /nfs/dbraw/zinc/53/78/66/428537866.db2.gz VLQOIANLCHEEIZ-SJORKVTESA-N 2 1 306.494 2.903 20 0 DFADMP Cc1cccc(C)c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415141747 428538271 /nfs/dbraw/zinc/53/82/71/428538271.db2.gz PWZKGIHAQGFAKK-MSOLQXFVSA-N 2 1 300.446 2.504 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)[C@H](C)C1 ZINC000347318248 428543127 /nfs/dbraw/zinc/54/31/27/428543127.db2.gz NALHQSDRFPTEQM-PMPSAXMXSA-N 2 1 318.509 2.815 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000373307837 428545360 /nfs/dbraw/zinc/54/53/60/428545360.db2.gz YUQFZXWQPNVHIN-YJBOKZPZSA-N 2 1 318.465 2.702 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@@H]1CCC[NH2+]1 ZINC000400454635 428545523 /nfs/dbraw/zinc/54/55/23/428545523.db2.gz RZRALHZIDPUAQX-NEWSRXKRSA-N 2 1 303.494 2.873 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400734678 428548629 /nfs/dbraw/zinc/54/86/29/428548629.db2.gz JRKQJLPUCCPSPD-YSIASYRMSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400734678 428548632 /nfs/dbraw/zinc/54/86/32/428548632.db2.gz JRKQJLPUCCPSPD-YSIASYRMSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC[NH2+]C1 ZINC000400734678 428548637 /nfs/dbraw/zinc/54/86/37/428548637.db2.gz JRKQJLPUCCPSPD-YSIASYRMSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353469607 428551529 /nfs/dbraw/zinc/55/15/29/428551529.db2.gz GUGMFAWGDGFVTA-BFYDXBDKSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCCC[N@H+]1CCC[C@H]1CO ZINC000361353826 428560605 /nfs/dbraw/zinc/56/06/05/428560605.db2.gz VDRPDAHJOFEBCZ-DKSSEZFCSA-N 2 1 320.452 2.886 20 0 DFADMP C[C@@H]1CN(C[C@@H]2CC[NH2+]C2)[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404334427 428564896 /nfs/dbraw/zinc/56/48/96/428564896.db2.gz BNYYXCOVGQISFU-VXIBKDFQSA-N 2 1 301.478 2.579 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000353501361 428568241 /nfs/dbraw/zinc/56/82/41/428568241.db2.gz MOQYKKQJGKLAGK-FUHWJXTLSA-N 2 1 319.493 2.790 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2cn3cc(Cl)ccc3n2)[C@@H]1CC[NH3+] ZINC000404379147 428569613 /nfs/dbraw/zinc/56/96/13/428569613.db2.gz TUYKCSHOIWKUQH-SWLSCSKDSA-N 2 1 306.841 2.937 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cn3cc(Cl)ccc3n2)[C@@H]1CC[NH3+] ZINC000404379147 428569616 /nfs/dbraw/zinc/56/96/16/428569616.db2.gz TUYKCSHOIWKUQH-SWLSCSKDSA-N 2 1 306.841 2.937 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H]2CC[NH+](CC3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353515262 428572613 /nfs/dbraw/zinc/57/26/13/428572613.db2.gz DGNLMMDKTKEXMB-AKHDSKFASA-N 2 1 305.510 2.713 20 0 DFADMP C[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@H]2CCC[C@H]21 ZINC000353515262 428572620 /nfs/dbraw/zinc/57/26/20/428572620.db2.gz DGNLMMDKTKEXMB-AKHDSKFASA-N 2 1 305.510 2.713 20 0 DFADMP CC(C)[N@H+]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC1 ZINC000361523939 428573394 /nfs/dbraw/zinc/57/33/94/428573394.db2.gz HOZNROKHSZSVMC-KRWDZBQOSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000361523939 428573399 /nfs/dbraw/zinc/57/33/99/428573399.db2.gz HOZNROKHSZSVMC-KRWDZBQOSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)[NH+]1CCCN(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000361523939 428573404 /nfs/dbraw/zinc/57/34/04/428573404.db2.gz HOZNROKHSZSVMC-KRWDZBQOSA-N 2 1 321.509 2.584 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@H]2CCC[C@H]21 ZINC000353518516 428574849 /nfs/dbraw/zinc/57/48/49/428574849.db2.gz LFOQXWMPTDHURX-AKHDSKFASA-N 2 1 302.462 2.963 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000405619540 428578027 /nfs/dbraw/zinc/57/80/27/428578027.db2.gz VOPYOEWEQOZCLS-TZMCWYRMSA-N 2 1 302.340 2.501 20 0 DFADMP CC(C)NC(=O)[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)C1 ZINC000353526552 428578144 /nfs/dbraw/zinc/57/81/44/428578144.db2.gz AZWQFNHLSJDISW-ILOCAZANSA-N 2 1 321.509 2.532 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441579 428579377 /nfs/dbraw/zinc/57/93/77/428579377.db2.gz PCPAZOPTUVCFJF-WDSOQIARSA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441579 428579382 /nfs/dbraw/zinc/57/93/82/428579382.db2.gz PCPAZOPTUVCFJF-WDSOQIARSA-N 2 1 304.478 2.785 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)CCc2ccccc2)C[C@@H]1C ZINC000347441579 428579385 /nfs/dbraw/zinc/57/93/85/428579385.db2.gz PCPAZOPTUVCFJF-WDSOQIARSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353564756 428597718 /nfs/dbraw/zinc/59/77/18/428597718.db2.gz IGSKHBKBUSUWMI-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353564756 428597723 /nfs/dbraw/zinc/59/77/23/428597723.db2.gz IGSKHBKBUSUWMI-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000353564756 428597727 /nfs/dbraw/zinc/59/77/27/428597727.db2.gz IGSKHBKBUSUWMI-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000353564756 428597730 /nfs/dbraw/zinc/59/77/30/428597730.db2.gz IGSKHBKBUSUWMI-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CNC(=O)c1ccc2c(c1)C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000347530024 428599808 /nfs/dbraw/zinc/59/98/08/428599808.db2.gz NRTXLJAXHPPGGJ-OAHLLOKOSA-N 2 1 323.440 2.540 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2CCC[N@H+](C(C)C)CC2)c1 ZINC000415907913 428622553 /nfs/dbraw/zinc/62/25/53/428622553.db2.gz OJWXBCYPIVQMLN-UHFFFAOYSA-N 2 1 318.465 2.744 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+](C)[C@H](C)CC)c1 ZINC000415908216 428623197 /nfs/dbraw/zinc/62/31/97/428623197.db2.gz PENVUHJJBXWQBQ-CQSZACIVSA-N 2 1 306.454 2.648 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@@H+](C)C2CCCC2)c1 ZINC000415911161 428624488 /nfs/dbraw/zinc/62/44/88/428624488.db2.gz XILAWCHXLAZCFR-UHFFFAOYSA-N 2 1 318.465 2.792 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415917668 428626682 /nfs/dbraw/zinc/62/66/82/428626682.db2.gz JQCQGLWGLFZXBL-QGZVFWFLSA-N 2 1 318.465 2.792 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@@H]2C(C)C)c1 ZINC000415927443 428628287 /nfs/dbraw/zinc/62/82/87/428628287.db2.gz CZMZIVFUIXWRGC-QGZVFWFLSA-N 2 1 318.465 2.600 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@H]1C ZINC000415952855 428634803 /nfs/dbraw/zinc/63/48/03/428634803.db2.gz KNGKBODDJGARQY-PBHICJAKSA-N 2 1 318.465 2.646 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000415936910 428630923 /nfs/dbraw/zinc/63/09/23/428630923.db2.gz XKPWORMDTOBNMW-OAHLLOKOSA-N 2 1 318.465 2.650 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353629465 428630942 /nfs/dbraw/zinc/63/09/42/428630942.db2.gz FZDCIJNGKKMXPV-IPMKNSEASA-N 2 1 318.461 2.674 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CCCC[C@@H]2C)c1 ZINC000415939203 428633485 /nfs/dbraw/zinc/63/34/85/428633485.db2.gz YWIOQRPVYUILFA-HNNXBMFYSA-N 2 1 318.465 2.792 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415974969 428640020 /nfs/dbraw/zinc/64/00/20/428640020.db2.gz LORBTHRNUHRGOW-INIZCTEOSA-N 2 1 318.465 2.635 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358720773 428642063 /nfs/dbraw/zinc/64/20/63/428642063.db2.gz VTWXNJGTWDIMMT-MNEFBYGVSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000358720773 428642069 /nfs/dbraw/zinc/64/20/69/428642069.db2.gz VTWXNJGTWDIMMT-MNEFBYGVSA-N 2 1 302.462 2.790 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCN(C)C[C@@H]2C)cc1 ZINC000344403684 428635088 /nfs/dbraw/zinc/63/50/88/428635088.db2.gz AMLZONZKRYPSCV-INIZCTEOSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C)cc1 ZINC000344403684 428635092 /nfs/dbraw/zinc/63/50/92/428635092.db2.gz AMLZONZKRYPSCV-INIZCTEOSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C[C@@H]2C)cc1 ZINC000344403684 428635098 /nfs/dbraw/zinc/63/50/98/428635098.db2.gz AMLZONZKRYPSCV-INIZCTEOSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000344403684 428635099 /nfs/dbraw/zinc/63/50/99/428635099.db2.gz AMLZONZKRYPSCV-INIZCTEOSA-N 2 1 317.477 2.695 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000344403684 428635101 /nfs/dbraw/zinc/63/51/01/428635101.db2.gz AMLZONZKRYPSCV-INIZCTEOSA-N 2 1 317.477 2.695 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C ZINC000416000283 428647028 /nfs/dbraw/zinc/64/70/28/428647028.db2.gz WQZPERYIIFWAAT-GUYCJALGSA-N 2 1 316.449 2.626 20 0 DFADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)[C@@H](CC)CN1C(C)=O ZINC000348202626 428654902 /nfs/dbraw/zinc/65/49/02/428654902.db2.gz MRKCPYVWKMDXCM-ZWKOTPCHSA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](CC)CN1C(C)=O ZINC000348202626 428654907 /nfs/dbraw/zinc/65/49/07/428654907.db2.gz MRKCPYVWKMDXCM-ZWKOTPCHSA-N 2 1 320.481 2.693 20 0 DFADMP C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155067 428665502 /nfs/dbraw/zinc/66/55/02/428665502.db2.gz AASQGWCNUYWOPP-CEXWTWQISA-N 2 1 306.494 2.999 20 0 DFADMP C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155067 428665509 /nfs/dbraw/zinc/66/55/09/428665509.db2.gz AASQGWCNUYWOPP-CEXWTWQISA-N 2 1 306.494 2.999 20 0 DFADMP C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)CC1CCOCC1 ZINC000374155067 428665514 /nfs/dbraw/zinc/66/55/14/428665514.db2.gz AASQGWCNUYWOPP-CEXWTWQISA-N 2 1 306.494 2.999 20 0 DFADMP CO[C@]1(C)CCC[N@@H+](C[C@@H](C)C[NH+]2CCC[C@](C)(OC)C2)C1 ZINC000348230552 428667416 /nfs/dbraw/zinc/66/74/16/428667416.db2.gz HAOZMGHXOLHDOJ-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CO[C@]1(C)CCC[NH+](C[C@@H](C)C[N@@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348230552 428667421 /nfs/dbraw/zinc/66/74/21/428667421.db2.gz HAOZMGHXOLHDOJ-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CO[C@]1(C)CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@](C)(OC)C2)C1 ZINC000348230552 428667425 /nfs/dbraw/zinc/66/74/25/428667425.db2.gz HAOZMGHXOLHDOJ-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000361921181 274336145 /nfs/dbraw/zinc/33/61/45/274336145.db2.gz AHIDWPAUQKMCLS-FRFSOERESA-N 2 1 307.869 2.849 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000361921181 274336146 /nfs/dbraw/zinc/33/61/46/274336146.db2.gz AHIDWPAUQKMCLS-FRFSOERESA-N 2 1 307.869 2.849 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000358776379 428670541 /nfs/dbraw/zinc/67/05/41/428670541.db2.gz PZLHKIBEEOREOH-AYOQOUSVSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c[nH]nc3C2)CC[N@H+]1Cc1ccccc1 ZINC000358776379 428670545 /nfs/dbraw/zinc/67/05/45/428670545.db2.gz PZLHKIBEEOREOH-AYOQOUSVSA-N 2 1 324.472 2.910 20 0 DFADMP c1cn2c(CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)c(C3CC3)nc2s1 ZINC000362253579 428674272 /nfs/dbraw/zinc/67/42/72/428674272.db2.gz FRQQEBOTFFDAQX-KGLIPLIRSA-N 2 1 316.474 2.990 20 0 DFADMP c1cn2c(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)c(C3CC3)nc2s1 ZINC000362253579 428674280 /nfs/dbraw/zinc/67/42/80/428674280.db2.gz FRQQEBOTFFDAQX-KGLIPLIRSA-N 2 1 316.474 2.990 20 0 DFADMP c1cn2c(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c(C3CC3)nc2s1 ZINC000362253579 428674287 /nfs/dbraw/zinc/67/42/87/428674287.db2.gz FRQQEBOTFFDAQX-KGLIPLIRSA-N 2 1 316.474 2.990 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322235 428675449 /nfs/dbraw/zinc/67/54/49/428675449.db2.gz CLVAKUQSUXLERE-ICSRJNTNSA-N 2 1 315.505 2.577 20 0 DFADMP CC(C)CSCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000362310687 428699217 /nfs/dbraw/zinc/69/92/17/428699217.db2.gz UZYVQXQOFKXYFN-IXDOHACOSA-N 2 1 314.539 2.855 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3cncn3)cc2)C[C@H]1C ZINC000353754716 428699646 /nfs/dbraw/zinc/69/96/46/428699646.db2.gz ZQANNGWIQJCGHW-QAPCUYQASA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-n3cncn3)cc2)C[C@H]1C ZINC000353754716 428699650 /nfs/dbraw/zinc/69/96/50/428699650.db2.gz ZQANNGWIQJCGHW-QAPCUYQASA-N 2 1 313.449 2.572 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-n3cncn3)cc2)C[C@H]1C ZINC000353754716 428699656 /nfs/dbraw/zinc/69/96/56/428699656.db2.gz ZQANNGWIQJCGHW-QAPCUYQASA-N 2 1 313.449 2.572 20 0 DFADMP C[NH+](C)[C@H](CC(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000416253135 428702142 /nfs/dbraw/zinc/70/21/42/428702142.db2.gz QNPAYKVNJTYJBB-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000348328459 428711576 /nfs/dbraw/zinc/71/15/76/428711576.db2.gz KKKGHMINFLFANY-RTBURBONSA-N 2 1 324.472 2.601 20 0 DFADMP C[C@@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1)c1ccccc1 ZINC000374610766 428713024 /nfs/dbraw/zinc/71/30/24/428713024.db2.gz HTGLDMLYQFARPW-ROUUACIJSA-N 2 1 315.505 2.890 20 0 DFADMP Cc1nc(CC[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000362400014 428731754 /nfs/dbraw/zinc/73/17/54/428731754.db2.gz DRDINTLHXSJPBV-UHFFFAOYSA-N 2 1 323.506 2.569 20 0 DFADMP Cc1nc(CC[N@H+](C)C2CC[NH+](C3CCOCC3)CC2)cs1 ZINC000362400014 428731759 /nfs/dbraw/zinc/73/17/59/428731759.db2.gz DRDINTLHXSJPBV-UHFFFAOYSA-N 2 1 323.506 2.569 20 0 DFADMP CC[N@H+]1CCC[C@@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000416146433 428677002 /nfs/dbraw/zinc/67/70/02/428677002.db2.gz UTVZSYBHESTXBS-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1OC ZINC000353745648 428688287 /nfs/dbraw/zinc/68/82/87/428688287.db2.gz IGYRGTNRUONHCT-GOEBONIOSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000353745648 428688294 /nfs/dbraw/zinc/68/82/94/428688294.db2.gz IGYRGTNRUONHCT-GOEBONIOSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000353745648 428688298 /nfs/dbraw/zinc/68/82/98/428688298.db2.gz IGYRGTNRUONHCT-GOEBONIOSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1OC ZINC000353745648 428688302 /nfs/dbraw/zinc/68/83/02/428688302.db2.gz IGYRGTNRUONHCT-GOEBONIOSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000353745648 428688304 /nfs/dbraw/zinc/68/83/04/428688304.db2.gz IGYRGTNRUONHCT-GOEBONIOSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000353745648 428688306 /nfs/dbraw/zinc/68/83/06/428688306.db2.gz IGYRGTNRUONHCT-GOEBONIOSA-N 2 1 306.450 2.927 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000344642901 428688809 /nfs/dbraw/zinc/68/88/09/428688809.db2.gz LUSNMQJJIYHBPQ-JKSUJKDBSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000344642901 428688815 /nfs/dbraw/zinc/68/88/15/428688815.db2.gz LUSNMQJJIYHBPQ-JKSUJKDBSA-N 2 1 320.481 2.776 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@H]1C ZINC000353750378 428691997 /nfs/dbraw/zinc/69/19/97/428691997.db2.gz NYSSLOXFKIHEOZ-UKRRQHHQSA-N 2 1 320.433 2.729 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@H]1C ZINC000353750378 428692000 /nfs/dbraw/zinc/69/20/00/428692000.db2.gz NYSSLOXFKIHEOZ-UKRRQHHQSA-N 2 1 320.433 2.729 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@H]1C ZINC000353750378 428692004 /nfs/dbraw/zinc/69/20/04/428692004.db2.gz NYSSLOXFKIHEOZ-UKRRQHHQSA-N 2 1 320.433 2.729 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@H]1C ZINC000353750378 428692007 /nfs/dbraw/zinc/69/20/07/428692007.db2.gz NYSSLOXFKIHEOZ-UKRRQHHQSA-N 2 1 320.433 2.729 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358826719 428695067 /nfs/dbraw/zinc/69/50/67/428695067.db2.gz MMGJWJBILBYTJG-RYQLBKOJSA-N 2 1 322.518 2.743 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358826719 428695071 /nfs/dbraw/zinc/69/50/71/428695071.db2.gz MMGJWJBILBYTJG-RYQLBKOJSA-N 2 1 322.518 2.743 20 0 DFADMP Cn1nccc1C1C[C@H]2CC[C@@H](C1)[N@@H+]2CCC[NH+]1CCCC1 ZINC000374831040 428761217 /nfs/dbraw/zinc/76/12/17/428761217.db2.gz WCHRXHMWDMOWKT-ALOPSCKCSA-N 2 1 302.466 2.616 20 0 DFADMP CSCC[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000374834462 428761467 /nfs/dbraw/zinc/76/14/67/428761467.db2.gz TZXUCCGQBOJCJM-ZDUSSCGKSA-N 2 1 311.520 2.792 20 0 DFADMP CSCC[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000374834462 428761473 /nfs/dbraw/zinc/76/14/73/428761473.db2.gz TZXUCCGQBOJCJM-ZDUSSCGKSA-N 2 1 311.520 2.792 20 0 DFADMP CCn1nccc1CC[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000374845948 428763455 /nfs/dbraw/zinc/76/34/55/428763455.db2.gz ORWZNMAILIUVJY-MRXNPFEDSA-N 2 1 313.449 2.583 20 0 DFADMP CCn1nccc1CC[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1 ZINC000374845948 428763463 /nfs/dbraw/zinc/76/34/63/428763463.db2.gz ORWZNMAILIUVJY-MRXNPFEDSA-N 2 1 313.449 2.583 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000359019185 428775032 /nfs/dbraw/zinc/77/50/32/428775032.db2.gz ZTNSHHOXXSKCKH-VQIMIIECSA-N 2 1 301.478 2.833 20 0 DFADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000374906859 428779463 /nfs/dbraw/zinc/77/94/63/428779463.db2.gz CODANBJQBMIZQB-BZUAXINKSA-N 2 1 300.512 2.607 20 0 DFADMP Cc1ccc(C[NH+]2CCC([NH+](C)C)CC2)c(-c2cnn(C)c2)c1 ZINC000374926955 428787899 /nfs/dbraw/zinc/78/78/99/428787899.db2.gz KKDSWGXKVKEELN-UHFFFAOYSA-N 2 1 312.461 2.922 20 0 DFADMP Cc1nnc([C@H](C)[NH+]2CCC(CCC[NH+]3CCCC3)CC2)[nH]1 ZINC000411402324 428791630 /nfs/dbraw/zinc/79/16/30/428791630.db2.gz ZXJQONJDIIYUJN-AWEZNQCLSA-N 2 1 305.470 2.762 20 0 DFADMP C[C@H]([NH2+]C[C@H](CO)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353846290 428745628 /nfs/dbraw/zinc/74/56/28/428745628.db2.gz ABIMMCQKHKTMJJ-ZYSHUDEJSA-N 2 1 302.462 2.505 20 0 DFADMP COC(=O)[C@H](C)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411172755 428751392 /nfs/dbraw/zinc/75/13/92/428751392.db2.gz MWIJXDHPRDLLFI-MRXNPFEDSA-N 2 1 318.461 2.913 20 0 DFADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000375302054 428849073 /nfs/dbraw/zinc/84/90/73/428849073.db2.gz JMOSNRFAQXFTTL-NWDGAFQWSA-N 2 1 320.824 2.853 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc(Cl)o2)C1 ZINC000354078074 428849501 /nfs/dbraw/zinc/84/95/01/428849501.db2.gz MNVJMUSZNNBFAM-ZDUSSCGKSA-N 2 1 300.830 2.866 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(Cl)o2)C1 ZINC000354078074 428849506 /nfs/dbraw/zinc/84/95/06/428849506.db2.gz MNVJMUSZNNBFAM-ZDUSSCGKSA-N 2 1 300.830 2.866 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000354078329 428850050 /nfs/dbraw/zinc/85/00/50/428850050.db2.gz PZVVLZXVYQTNNC-GOSISDBHSA-N 2 1 319.493 2.685 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccccc2N(C)C)C1 ZINC000354078330 428850869 /nfs/dbraw/zinc/85/08/69/428850869.db2.gz PZVVLZXVYQTNNC-SFHVURJKSA-N 2 1 319.493 2.685 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632264 428799673 /nfs/dbraw/zinc/79/96/73/428799673.db2.gz DFJGFABXWKSDRY-PKOBYXMFSA-N 2 1 320.477 2.744 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632264 428799676 /nfs/dbraw/zinc/79/96/76/428799676.db2.gz DFJGFABXWKSDRY-PKOBYXMFSA-N 2 1 320.477 2.744 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCCOc2ccccc2)[C@@H](C)C1 ZINC000348632264 428799678 /nfs/dbraw/zinc/79/96/78/428799678.db2.gz DFJGFABXWKSDRY-PKOBYXMFSA-N 2 1 320.477 2.744 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000353972409 428800524 /nfs/dbraw/zinc/80/05/24/428800524.db2.gz NMFSSYGPYCVKIB-UPTPFMHGSA-N 2 1 310.482 2.962 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(C)(C(=O)OCC)CC1 ZINC000353972409 428800527 /nfs/dbraw/zinc/80/05/27/428800527.db2.gz NMFSSYGPYCVKIB-UPTPFMHGSA-N 2 1 310.482 2.962 20 0 DFADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)C[C@@H]12 ZINC000411497711 428806013 /nfs/dbraw/zinc/80/60/13/428806013.db2.gz ABBQPJKQLJGTBS-XUVXKRRUSA-N 2 1 314.473 2.875 20 0 DFADMP CCCCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000411519786 428811309 /nfs/dbraw/zinc/81/13/09/428811309.db2.gz TXIWHCNKVPYIPE-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP CCCCCNC(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411519786 428811315 /nfs/dbraw/zinc/81/13/15/428811315.db2.gz TXIWHCNKVPYIPE-HOTGVXAUSA-N 2 1 309.498 2.535 20 0 DFADMP CCCNC(=O)CCC[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518630 428812028 /nfs/dbraw/zinc/81/20/28/428812028.db2.gz PVVSJTFJHNAMLV-HZPDHXFCSA-N 2 1 309.498 2.535 20 0 DFADMP c1ncc(CC[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)s1 ZINC000411578516 428820639 /nfs/dbraw/zinc/82/06/39/428820639.db2.gz SHAOKQCSEPVWSQ-ZDUSSCGKSA-N 2 1 302.447 2.708 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354016574 428822323 /nfs/dbraw/zinc/82/23/23/428822323.db2.gz AGAANSBXGUDCLS-QFBILLFUSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000354016574 428822329 /nfs/dbraw/zinc/82/23/29/428822329.db2.gz AGAANSBXGUDCLS-QFBILLFUSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cccc2ncc(C[N@@H+]3CCC[C@H](Cc4nccn4C)C3)n21 ZINC000375210101 428823828 /nfs/dbraw/zinc/82/38/28/428823828.db2.gz XZKWUDMWOCTAPX-MRXNPFEDSA-N 2 1 323.444 2.831 20 0 DFADMP CC1CCC(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)CC1 ZINC000354037636 428832427 /nfs/dbraw/zinc/83/24/27/428832427.db2.gz JEOBDCTVNYEFPL-CHPDAQJUSA-N 2 1 307.526 2.771 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000417044284 428844012 /nfs/dbraw/zinc/84/40/12/428844012.db2.gz XVNTVTIMXIUZDZ-NVXWUHKLSA-N 2 1 324.513 2.552 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+](C)C[C@H](C)OC)CC1 ZINC000348833958 428856070 /nfs/dbraw/zinc/85/60/70/428856070.db2.gz ONNJZOXESXBIOA-KRWDZBQOSA-N 2 1 319.493 2.685 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000354086268 428856422 /nfs/dbraw/zinc/85/64/22/428856422.db2.gz OFXWSLTXAVOUCO-GOSISDBHSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000359188500 428858460 /nfs/dbraw/zinc/85/84/60/428858460.db2.gz KTGPMMBEQBAXAS-HXUWFJFHSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CCC1CC[NH2+]CC1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359188500 428858467 /nfs/dbraw/zinc/85/84/67/428858467.db2.gz KTGPMMBEQBAXAS-HXUWFJFHSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CCC1CC[NH2+]CC1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000359188500 428858472 /nfs/dbraw/zinc/85/84/72/428858472.db2.gz KTGPMMBEQBAXAS-HXUWFJFHSA-N 3 1 315.505 2.830 20 0 DFADMP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000359188500 428858476 /nfs/dbraw/zinc/85/84/76/428858476.db2.gz KTGPMMBEQBAXAS-HXUWFJFHSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](CCC1CC[NH2+]CC1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000359188500 428858482 /nfs/dbraw/zinc/85/84/82/428858482.db2.gz KTGPMMBEQBAXAS-HXUWFJFHSA-N 2 1 315.505 2.830 20 0 DFADMP CC(CC[NH+](C)[C@H](C)C(C)(C)O)CC[N@@H+](C)[C@H](C)C(C)(C)O ZINC000411799913 428859789 /nfs/dbraw/zinc/85/97/89/428859789.db2.gz VQMLEKHMFLOXFY-HZPDHXFCSA-N 2 1 316.530 2.585 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349572 428860939 /nfs/dbraw/zinc/86/09/39/428860939.db2.gz NQNJRTZCXUIRQA-OAHLLOKOSA-N 2 1 323.431 2.961 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349572 428860946 /nfs/dbraw/zinc/86/09/46/428860946.db2.gz NQNJRTZCXUIRQA-OAHLLOKOSA-N 2 1 323.431 2.961 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375349572 428860953 /nfs/dbraw/zinc/86/09/53/428860953.db2.gz NQNJRTZCXUIRQA-OAHLLOKOSA-N 2 1 323.431 2.961 20 0 DFADMP COC(=O)c1ccccc1CN1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000354100986 428862493 /nfs/dbraw/zinc/86/24/93/428862493.db2.gz QAGFYFGGDQSPEE-MRXNPFEDSA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1ccccc1CN1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000354100985 428863678 /nfs/dbraw/zinc/86/36/78/428863678.db2.gz QAGFYFGGDQSPEE-INIZCTEOSA-N 2 1 316.445 2.637 20 0 DFADMP O[C@@]1(C(F)F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411811364 428863812 /nfs/dbraw/zinc/86/38/12/428863812.db2.gz XUJIBJWBVVNYIE-SFHVURJKSA-N 2 1 324.415 2.874 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cccc(COC)c2)C1 ZINC000354108285 428866314 /nfs/dbraw/zinc/86/63/14/428866314.db2.gz UMVMEYFDAQOATC-IBGZPJMESA-N 2 1 320.477 2.766 20 0 DFADMP C(C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)C1CC[NH2+]CC1 ZINC000359212087 428867157 /nfs/dbraw/zinc/86/71/57/428867157.db2.gz FUWFVVGETWVWME-INIZCTEOSA-N 2 1 317.481 2.531 20 0 DFADMP Cn1ccc([C@@H]([NH2+]CC2CC[NH+](C)CC2)c2ccc(F)cc2)n1 ZINC000359212979 428868011 /nfs/dbraw/zinc/86/80/11/428868011.db2.gz LBSOPYMRQGWJSE-SFHVURJKSA-N 2 1 316.424 2.580 20 0 DFADMP C[N@H+]1CCC[C@H](CNc2ncnc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000375384006 428870377 /nfs/dbraw/zinc/87/03/77/428870377.db2.gz IHKPGFNRKVVJCH-NVXWUHKLSA-N 2 1 321.428 3.453 20 0 DFADMP C[N@@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000375384006 428870383 /nfs/dbraw/zinc/87/03/83/428870383.db2.gz IHKPGFNRKVVJCH-NVXWUHKLSA-N 2 1 321.428 3.453 20 0 DFADMP C[N@H+]1CCC[C@H](CNc2[nH+]cnc3[nH]ccc32)[C@H]1c1ccccc1 ZINC000375384006 428870389 /nfs/dbraw/zinc/87/03/89/428870389.db2.gz IHKPGFNRKVVJCH-NVXWUHKLSA-N 2 1 321.428 3.453 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@H](Oc3ccncc3)C2)c(C)n1 ZINC000359221442 428873060 /nfs/dbraw/zinc/87/30/60/428873060.db2.gz GQXHZXNBKBUYJC-INIZCTEOSA-N 2 1 313.401 2.755 20 0 DFADMP COC(=O)[C@]12C[N@@H+](CC[C@H]3CCCC[NH+]3C)C[C@H]1CCCC2 ZINC000375398204 428873256 /nfs/dbraw/zinc/87/32/56/428873256.db2.gz UPPDMQTYMBXNQI-JFIYKMOQSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@]12C[NH+](CC[C@H]3CCCC[N@@H+]3C)C[C@H]1CCCC2 ZINC000375398204 428873264 /nfs/dbraw/zinc/87/32/64/428873264.db2.gz UPPDMQTYMBXNQI-JFIYKMOQSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)[C@]12C[NH+](CC[C@H]3CCCC[N@H+]3C)C[C@H]1CCCC2 ZINC000375398204 428873273 /nfs/dbraw/zinc/87/32/73/428873273.db2.gz UPPDMQTYMBXNQI-JFIYKMOQSA-N 2 1 308.466 2.526 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1O ZINC000375430162 428881690 /nfs/dbraw/zinc/88/16/90/428881690.db2.gz WOADYAKQRJRGKS-ZFWWWQNUSA-N 2 1 315.417 2.523 20 0 DFADMP CCN(CC)c1ncc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)s1 ZINC000354164561 428894506 /nfs/dbraw/zinc/89/45/06/428894506.db2.gz BKWQVTAFPYKXQH-KRWDZBQOSA-N 2 1 322.522 2.907 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418192648 428896553 /nfs/dbraw/zinc/89/65/53/428896553.db2.gz ARQWAAHKXRWJIN-CABCVRRESA-N 2 1 320.481 2.626 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@H]2O)[C@H]1c1ccccc1 ZINC000375482213 428898263 /nfs/dbraw/zinc/89/82/63/428898263.db2.gz MXSLVEJEOQJMOF-FCGDIQPGSA-N 2 1 302.462 2.963 20 0 DFADMP Cc1cccc([C@@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000363287519 428899250 /nfs/dbraw/zinc/89/92/50/428899250.db2.gz FUKWLLBUDMHRPN-MJGOQNOKSA-N 2 1 301.478 2.768 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(N3CCCC3)nc2)CC1 ZINC000375507932 428901413 /nfs/dbraw/zinc/90/14/13/428901413.db2.gz QULDAKXUPJCDAN-UHFFFAOYSA-N 2 1 314.477 2.742 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984825 428901923 /nfs/dbraw/zinc/90/19/23/428901923.db2.gz NGCDORXRBQWCIQ-MOPGFXCFSA-N 2 1 314.473 2.711 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984825 428901929 /nfs/dbraw/zinc/90/19/29/428901929.db2.gz NGCDORXRBQWCIQ-MOPGFXCFSA-N 2 1 314.473 2.711 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984825 428901932 /nfs/dbraw/zinc/90/19/32/428901932.db2.gz NGCDORXRBQWCIQ-MOPGFXCFSA-N 2 1 314.473 2.711 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1)C1CC1 ZINC000411984825 428901938 /nfs/dbraw/zinc/90/19/38/428901938.db2.gz NGCDORXRBQWCIQ-MOPGFXCFSA-N 2 1 314.473 2.711 20 0 DFADMP CCN(CC[NH+]1CCCCCC1)Cc1ncc(C[NH+](C)C)s1 ZINC000349035042 428904491 /nfs/dbraw/zinc/90/44/91/428904491.db2.gz PBZQBDAFTLQUGK-UHFFFAOYSA-N 2 1 324.538 2.903 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[NH+]2C[C@H](C)C[C@@H](C)C2)[C@@H]1C ZINC000354182970 428905206 /nfs/dbraw/zinc/90/52/06/428905206.db2.gz VJZJBQUHMWNLMO-WJQMWINMSA-N 2 1 324.509 2.920 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)CCc2nc3ccccc3n2C)C[C@@H]1C ZINC000354204342 428913255 /nfs/dbraw/zinc/91/32/55/428913255.db2.gz FJUQHGYSXACSAQ-JKSUJKDBSA-N 2 1 314.477 2.920 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2nc3ccccc3n2C)C[C@@H]1C ZINC000354204342 428913261 /nfs/dbraw/zinc/91/32/61/428913261.db2.gz FJUQHGYSXACSAQ-JKSUJKDBSA-N 2 1 314.477 2.920 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2nc3ccccc3n2C)C[C@@H]1C ZINC000354204342 428913265 /nfs/dbraw/zinc/91/32/65/428913265.db2.gz FJUQHGYSXACSAQ-JKSUJKDBSA-N 2 1 314.477 2.920 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2nc3ccccc3n2C)C[C@@H]1C ZINC000354204342 428913267 /nfs/dbraw/zinc/91/32/67/428913267.db2.gz FJUQHGYSXACSAQ-JKSUJKDBSA-N 2 1 314.477 2.920 20 0 DFADMP C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000345505073 428914664 /nfs/dbraw/zinc/91/46/64/428914664.db2.gz JLEYIJWQSWLQBE-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000363450943 428917880 /nfs/dbraw/zinc/91/78/80/428917880.db2.gz UZARNVKZXZKXPN-CVEARBPZSA-N 2 1 318.465 2.653 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H]2CCN(C(C)C)C2=O)C1 ZINC000363450943 428917889 /nfs/dbraw/zinc/91/78/89/428917889.db2.gz UZARNVKZXZKXPN-CVEARBPZSA-N 2 1 318.465 2.653 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000349091627 428918721 /nfs/dbraw/zinc/91/87/21/428918721.db2.gz YSIVRRPROGTXKJ-IRXDYDNUSA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000363451479 428919321 /nfs/dbraw/zinc/91/93/21/428919321.db2.gz ZDDNZNASLIVGMH-JKSUJKDBSA-N 2 1 320.481 2.899 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C)C(C)C)C1 ZINC000363451479 428919326 /nfs/dbraw/zinc/91/93/26/428919326.db2.gz ZDDNZNASLIVGMH-JKSUJKDBSA-N 2 1 320.481 2.899 20 0 DFADMP C[C@H]1CC(C)(C)C[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000412048089 428922601 /nfs/dbraw/zinc/92/26/01/428922601.db2.gz UAIFTYSJBVNAET-RDJZCZTQSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[N@H+]1CCC[NH+]1CCCC1 ZINC000363478683 428927273 /nfs/dbraw/zinc/92/72/73/428927273.db2.gz NAKKQDGGAQKYST-KRWDZBQOSA-N 2 1 304.482 2.957 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226266 428927896 /nfs/dbraw/zinc/92/78/96/428927896.db2.gz VXZQTQCOKRJJTO-AEFFLSMTSA-N 2 1 323.525 2.878 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)NCC2CCCCC2)C[C@H]1C ZINC000354226266 428927899 /nfs/dbraw/zinc/92/78/99/428927899.db2.gz VXZQTQCOKRJJTO-AEFFLSMTSA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2CCC)CC1 ZINC000349146217 428929891 /nfs/dbraw/zinc/92/98/91/428929891.db2.gz VQOLPDICSWZSML-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC000349146217 428929900 /nfs/dbraw/zinc/92/99/00/428929900.db2.gz VQOLPDICSWZSML-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC000349146217 428929904 /nfs/dbraw/zinc/92/99/04/428929904.db2.gz VQOLPDICSWZSML-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP CCOc1cccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)n1 ZINC000349149138 428930275 /nfs/dbraw/zinc/93/02/75/428930275.db2.gz LEXUNYCRCJACMI-INIZCTEOSA-N 2 1 303.450 2.644 20 0 DFADMP C[C@H](N[C@H]1CCCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423549628 428971798 /nfs/dbraw/zinc/97/17/98/428971798.db2.gz HXFDMMSVDPBEDK-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(C)C ZINC000363568229 428944825 /nfs/dbraw/zinc/94/48/25/428944825.db2.gz QCNGXMYHQBJOCE-HZPDHXFCSA-N 2 1 320.481 2.632 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@H](C)C(C)C ZINC000363568227 428945245 /nfs/dbraw/zinc/94/52/45/428945245.db2.gz QCNGXMYHQBJOCE-CVEARBPZSA-N 2 1 320.481 2.632 20 0 DFADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363567347 428946349 /nfs/dbraw/zinc/94/63/49/428946349.db2.gz YSISQPZJADWCQE-OKZBNKHCSA-N 2 1 312.498 2.528 20 0 DFADMP Cc1nccc(C[N@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)n1 ZINC000375698839 428946990 /nfs/dbraw/zinc/94/69/90/428946990.db2.gz VEHNNQGZDYYNJA-HNNXBMFYSA-N 2 1 311.433 2.697 20 0 DFADMP CCOC1CC(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)C1 ZINC000375716363 428951285 /nfs/dbraw/zinc/95/12/85/428951285.db2.gz JVWRVQPBZQTUTR-KLAILNCOSA-N 2 1 303.450 2.939 20 0 DFADMP CCOC1CC(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)C1 ZINC000375716363 428951292 /nfs/dbraw/zinc/95/12/92/428951292.db2.gz JVWRVQPBZQTUTR-KLAILNCOSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000349317899 428961095 /nfs/dbraw/zinc/96/10/95/428961095.db2.gz QRWQKFHCPWRCQV-QGZVFWFLSA-N 2 1 315.505 2.904 20 0 DFADMP CC[C@@H]1C[C@H](C)CC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000354311208 428963160 /nfs/dbraw/zinc/96/31/60/428963160.db2.gz JJJVEPCXEXVDMA-NUJGCVRESA-N 2 1 323.525 2.734 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000421711682 429018783 /nfs/dbraw/zinc/01/87/83/429018783.db2.gz PBWBYKVACPYAHC-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CCC[N@H+]2C)cc1 ZINC000421707663 429020131 /nfs/dbraw/zinc/02/01/31/429020131.db2.gz YAKPWGFVUXKHPJ-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c(-c2ccccc2)n1 ZINC000375945831 429023101 /nfs/dbraw/zinc/02/31/01/429023101.db2.gz GXQRTLFRDIFFAY-HNNXBMFYSA-N 2 1 321.428 2.636 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433321790 429026379 /nfs/dbraw/zinc/02/63/79/429026379.db2.gz WEZVHTXKXONVOP-CQSZACIVSA-N 2 1 302.422 2.880 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000433321790 429026385 /nfs/dbraw/zinc/02/63/85/429026385.db2.gz WEZVHTXKXONVOP-CQSZACIVSA-N 2 1 302.422 2.880 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCCNc2ccccn2)[C@@H]2CCC[C@@H]21 ZINC000375801276 428978489 /nfs/dbraw/zinc/97/84/89/428978489.db2.gz IPGCTDXWYHCGTI-ULQDDVLXSA-N 2 1 302.466 2.736 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)C[C@@H]1CCO[C@H]1c1ccnn1C ZINC000349386333 428979312 /nfs/dbraw/zinc/97/93/12/428979312.db2.gz RSQOVUSATLVZND-FUHWJXTLSA-N 2 1 322.497 2.552 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc2n[nH]c(C)c2c1 ZINC000349406543 428981649 /nfs/dbraw/zinc/98/16/49/428981649.db2.gz LUZPWMYJXDKVRJ-UHFFFAOYSA-N 2 1 301.438 2.574 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2n[nH]c(C)c2c1 ZINC000349406543 428981652 /nfs/dbraw/zinc/98/16/52/428981652.db2.gz LUZPWMYJXDKVRJ-UHFFFAOYSA-N 2 1 301.438 2.574 20 0 DFADMP CCc1nnc(CN2CCC[C@H](n3cc[nH+]c3C(C)C)C2)o1 ZINC000375815720 428986786 /nfs/dbraw/zinc/98/67/86/428986786.db2.gz QINHBIOAJKILCS-ZDUSSCGKSA-N 2 1 303.410 2.789 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433051357 428987384 /nfs/dbraw/zinc/98/73/84/428987384.db2.gz GLXIFMUSXWBCGQ-SFHVURJKSA-N 2 1 301.434 2.507 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](O)Cc1ccccc1 ZINC000433051357 428987392 /nfs/dbraw/zinc/98/73/92/428987392.db2.gz GLXIFMUSXWBCGQ-SFHVURJKSA-N 2 1 301.434 2.507 20 0 DFADMP COc1cccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000375855041 428999588 /nfs/dbraw/zinc/99/95/88/428999588.db2.gz YAWSAGKSSUVGMN-OTWHNJEPSA-N 2 1 318.461 2.927 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)[NH+]1CCCCC1 ZINC000354661313 429000728 /nfs/dbraw/zinc/00/07/28/429000728.db2.gz NTXMIMSYLQDTHO-FGTMMUONSA-N 2 1 323.525 2.876 20 0 DFADMP COCC[N@@H+](C)CCOc1cccc(C[NH2+]C2CC(C)(C)C2)c1 ZINC000433175198 429003750 /nfs/dbraw/zinc/00/37/50/429003750.db2.gz OYJQUMVUNAWHNC-UHFFFAOYSA-N 2 1 320.477 2.922 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000423721066 429005680 /nfs/dbraw/zinc/00/56/80/429005680.db2.gz BKEGRIRVKWPCHK-ILOCAZANSA-N 2 1 321.509 2.758 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000434504691 429092391 /nfs/dbraw/zinc/09/23/91/429092391.db2.gz VSOBDYBNJMNINT-AOIWGVFYSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000434504691 429092396 /nfs/dbraw/zinc/09/23/96/429092396.db2.gz VSOBDYBNJMNINT-AOIWGVFYSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000434504691 429092400 /nfs/dbraw/zinc/09/24/00/429092400.db2.gz VSOBDYBNJMNINT-AOIWGVFYSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000434504691 429092405 /nfs/dbraw/zinc/09/24/05/429092405.db2.gz VSOBDYBNJMNINT-AOIWGVFYSA-N 2 1 317.477 2.650 20 0 DFADMP CC[C@H]([NH3+])CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423471676 429092633 /nfs/dbraw/zinc/09/26/33/429092633.db2.gz PVDULXPOVAPDHH-FCGDIQPGSA-N 2 1 301.478 2.614 20 0 DFADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1(C)C ZINC000423464456 429092734 /nfs/dbraw/zinc/09/27/34/429092734.db2.gz BJTXEXWMLLGMQB-MGPQQGTHSA-N 2 1 304.425 2.661 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(Cl)cc1 ZINC000423475901 429094751 /nfs/dbraw/zinc/09/47/51/429094751.db2.gz KTVLHOVCFYTKHN-TZMCWYRMSA-N 2 1 318.795 2.862 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccncc1Cl ZINC000421825390 429036629 /nfs/dbraw/zinc/03/66/29/429036629.db2.gz NIPPXMOEDMSQJD-AWEZNQCLSA-N 2 1 324.900 2.659 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000452008194 429038739 /nfs/dbraw/zinc/03/87/39/429038739.db2.gz SHXQDQUQGYTWQC-ZWKOTPCHSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(=O)OC)C1 ZINC000452008194 429038741 /nfs/dbraw/zinc/03/87/41/429038741.db2.gz SHXQDQUQGYTWQC-ZWKOTPCHSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421838281 429038960 /nfs/dbraw/zinc/03/89/60/429038960.db2.gz VFFKWOBFSXLQLX-KBPBESRZSA-N 2 1 311.857 2.623 20 0 DFADMP COC1([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)CCCCC1 ZINC000421835324 429039144 /nfs/dbraw/zinc/03/91/44/429039144.db2.gz PSYCXGIQDNEGKC-DLBZAZTESA-N 2 1 312.498 2.551 20 0 DFADMP CC(C)CCOc1ccc([C@H](C)[NH2+]C[C@@H]2CNCCN2C)cc1 ZINC000423483122 429096869 /nfs/dbraw/zinc/09/68/69/429096869.db2.gz SAAHNATYMTXCDD-WMZOPIPTSA-N 2 1 319.493 2.666 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423281451 429055619 /nfs/dbraw/zinc/05/56/19/429055619.db2.gz VNRLCKRGWKTMTR-MNOVXSKESA-N 2 1 300.830 2.863 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000423280856 429055758 /nfs/dbraw/zinc/05/57/58/429055758.db2.gz SXVNPYFUYSJVOL-CHWSQXEVSA-N 2 1 313.214 2.902 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1 ZINC000423289968 429057356 /nfs/dbraw/zinc/05/73/56/429057356.db2.gz YTOHVULIHOMTOL-CYBMUJFWSA-N 2 1 306.454 2.948 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423303448 429059433 /nfs/dbraw/zinc/05/94/33/429059433.db2.gz LODFVJHFLRMHNH-YRPNKDGESA-N 3 1 313.489 2.771 20 0 DFADMP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+](C)C)cc2F)CC[N@H+]1C ZINC000412555185 429060290 /nfs/dbraw/zinc/06/02/90/429060290.db2.gz BDFXSEMFGGQZFK-JSGCOSHPSA-N 2 1 307.413 2.556 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000423297407 429060680 /nfs/dbraw/zinc/06/06/80/429060680.db2.gz KFJKJQLCUVCHQQ-NVXWUHKLSA-N 2 1 305.466 2.691 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423306560 429061050 /nfs/dbraw/zinc/06/10/50/429061050.db2.gz LTZBMNTYPXBVMT-RSPOEFSDSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423306560 429061052 /nfs/dbraw/zinc/06/10/52/429061052.db2.gz LTZBMNTYPXBVMT-RSPOEFSDSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423306560 429061057 /nfs/dbraw/zinc/06/10/57/429061057.db2.gz LTZBMNTYPXBVMT-RSPOEFSDSA-N 2 1 315.505 2.862 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423318086 429061770 /nfs/dbraw/zinc/06/17/70/429061770.db2.gz CAVVNDUQFCTEEH-LPHOPBHVSA-N 2 1 312.461 2.972 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)[C@H](C[NH3+])C2CC2)cc1)C(C)C ZINC000423947888 429062320 /nfs/dbraw/zinc/06/23/20/429062320.db2.gz LFHVKDHOGOAPHC-GOSISDBHSA-N 2 1 317.477 2.726 20 0 DFADMP [NH3+][C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000423315859 429062653 /nfs/dbraw/zinc/06/26/53/429062653.db2.gz JDPAHFLMIHQEAV-UAFMIMERSA-N 2 1 313.489 2.757 20 0 DFADMP [NH3+][C@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000423313126 429063027 /nfs/dbraw/zinc/06/30/27/429063027.db2.gz FCBIBLAKBGYWEP-OLZOCXBDSA-N 2 1 313.214 2.902 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@]23C[C@H]2CC[NH2+]3)cc1 ZINC000423340678 429066881 /nfs/dbraw/zinc/06/68/81/429066881.db2.gz SXOAIWHDEMEQQZ-GMBSWORKSA-N 2 1 313.445 2.752 20 0 DFADMP C[C@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000423332804 429067487 /nfs/dbraw/zinc/06/74/87/429067487.db2.gz PKELQWFWOLQJEN-INMHGKMJSA-N 2 1 309.498 2.663 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NCCCC[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423334634 429068298 /nfs/dbraw/zinc/06/82/98/429068298.db2.gz QXCHMVMEQSQHMD-HZPDHXFCSA-N 2 1 317.477 2.948 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334747 429068776 /nfs/dbraw/zinc/06/87/76/429068776.db2.gz FXPWPQZKCKQRGX-OWZKRDHZSA-N 3 1 311.473 2.691 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334747 429068779 /nfs/dbraw/zinc/06/87/79/429068779.db2.gz FXPWPQZKCKQRGX-OWZKRDHZSA-N 2 1 311.473 2.691 20 0 DFADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCSCC2)cc1 ZINC000423346878 429068983 /nfs/dbraw/zinc/06/89/83/429068983.db2.gz ZEYFNRRUVDDHSX-IAGOWNOFSA-N 2 1 306.475 2.626 20 0 DFADMP C[C@]1(C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)CCC[NH2+]C1 ZINC000423345119 429069499 /nfs/dbraw/zinc/06/94/99/429069499.db2.gz OSXNZYPUQHOUOO-OALUTQOASA-N 2 1 310.445 2.740 20 0 DFADMP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C[C@H]1C[NH2+]CCCO1 ZINC000423486713 429097184 /nfs/dbraw/zinc/09/71/84/429097184.db2.gz BYLIMUXTMNSHGK-IAQYHMDHSA-N 2 1 315.244 2.949 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423485541 429097206 /nfs/dbraw/zinc/09/72/06/429097206.db2.gz AVMQIBIWRANDPE-BXUZGUMPSA-N 2 1 302.340 2.735 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCC[N@@H+](C)Cc2ccccc2)cc1 ZINC000423356585 429071873 /nfs/dbraw/zinc/07/18/73/429071873.db2.gz QUOLGFUSELQEFH-HNNXBMFYSA-N 2 1 311.429 2.568 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)c2C1 ZINC000423367535 429075410 /nfs/dbraw/zinc/07/54/10/429075410.db2.gz CQHZBPIDPSZNAV-DZGCQCFKSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+][C@H]3C)c2C1 ZINC000423367535 429075415 /nfs/dbraw/zinc/07/54/15/429075415.db2.gz CQHZBPIDPSZNAV-DZGCQCFKSA-N 2 1 301.434 2.739 20 0 DFADMP C[C@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423374753 429076185 /nfs/dbraw/zinc/07/61/85/429076185.db2.gz IIYXEKSZQQWJBS-UKBAYJJMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423374753 429076188 /nfs/dbraw/zinc/07/61/88/429076188.db2.gz IIYXEKSZQQWJBS-UKBAYJJMSA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423374753 429076190 /nfs/dbraw/zinc/07/61/90/429076190.db2.gz IIYXEKSZQQWJBS-UKBAYJJMSA-N 3 1 301.478 2.627 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423377570 429077185 /nfs/dbraw/zinc/07/71/85/429077185.db2.gz ZAMPRCOWFBFOSL-HFBAOOFYSA-N 2 1 323.278 2.894 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000423382254 429077715 /nfs/dbraw/zinc/07/77/15/429077715.db2.gz OTGUPKBTVWHJKK-RWQQGDIJSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423386508 429079186 /nfs/dbraw/zinc/07/91/86/429079186.db2.gz LIFTYBPJLGRZGH-ZBFHGGJFSA-N 2 1 303.450 2.772 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000423406860 429082408 /nfs/dbraw/zinc/08/24/08/429082408.db2.gz VEHFAOSPPYEJIH-VBHSOAQHSA-N 2 1 316.424 2.968 20 0 DFADMP c1ccc(-c2nc3c(s2)[C@H]([NH2+][C@@H]2[C@H]4C[NH2+]C[C@H]42)CCC3)cc1 ZINC000423426814 429085861 /nfs/dbraw/zinc/08/58/61/429085861.db2.gz ICUMHGURBMXJDU-CTASWTNQSA-N 2 1 311.454 2.995 20 0 DFADMP O=C1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cc(F)ccc2N1 ZINC000376265439 429086511 /nfs/dbraw/zinc/08/65/11/429086511.db2.gz KZVDTTQHLFFTKU-INIZCTEOSA-N 2 1 317.408 2.816 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@H+]1C1CC1)[NH+]1CCCCC1 ZINC000434443450 429087043 /nfs/dbraw/zinc/08/70/43/429087043.db2.gz YUZGSBKPJGZKBZ-ROUUACIJSA-N 2 1 321.509 2.630 20 0 DFADMP CCOCc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)ccc1OC ZINC000435436658 429142949 /nfs/dbraw/zinc/14/29/49/429142949.db2.gz GUIFROPMGOSOJP-KRWDZBQOSA-N 2 1 306.450 2.806 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000494742450 429150014 /nfs/dbraw/zinc/15/00/14/429150014.db2.gz NOKPHLIDRWPPDA-UHFFFAOYSA-N 2 1 323.481 2.763 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000494741116 429150174 /nfs/dbraw/zinc/15/01/74/429150174.db2.gz CIJHUHIUQPQVJK-UHFFFAOYSA-N 2 1 323.481 2.761 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CN2CC3(CCCC3)OC2=O)CC1 ZINC000494741116 429150176 /nfs/dbraw/zinc/15/01/76/429150176.db2.gz CIJHUHIUQPQVJK-UHFFFAOYSA-N 2 1 323.481 2.761 20 0 DFADMP CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H]1CCC[NH2+]CC1 ZINC000435611926 429151837 /nfs/dbraw/zinc/15/18/37/429151837.db2.gz DDDGXNAPAAUNTB-OKZBNKHCSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@H]21)[C@H]1CCC[NH2+]CC1 ZINC000435611926 429151841 /nfs/dbraw/zinc/15/18/41/429151841.db2.gz DDDGXNAPAAUNTB-OKZBNKHCSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376644551 429154199 /nfs/dbraw/zinc/15/41/99/429154199.db2.gz QWPQAJYEEFFVHE-LJQANCHMSA-N 2 1 312.461 2.730 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376644551 429154204 /nfs/dbraw/zinc/15/42/04/429154204.db2.gz QWPQAJYEEFFVHE-LJQANCHMSA-N 2 1 312.461 2.730 20 0 DFADMP O=C([C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1)N1CCCCC1 ZINC000363997625 429154880 /nfs/dbraw/zinc/15/48/80/429154880.db2.gz KLGRLSZSBIADTC-SFHVURJKSA-N 2 1 321.509 2.587 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424138619 429098203 /nfs/dbraw/zinc/09/82/03/429098203.db2.gz CSYFDPBMADCZEQ-UWWQBHOKSA-N 2 1 321.509 2.663 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423505684 429100796 /nfs/dbraw/zinc/10/07/96/429100796.db2.gz HJTPEZRRELLELH-QWQRMKEZSA-N 2 1 304.434 2.826 20 0 DFADMP C[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCC2)C[C@H]1c1ccccc1 ZINC000423506203 429101739 /nfs/dbraw/zinc/10/17/39/429101739.db2.gz OWXZYIGUOVBSPY-OTWHNJEPSA-N 2 1 301.478 2.929 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)s1 ZINC000423509450 429104646 /nfs/dbraw/zinc/10/46/46/429104646.db2.gz MHZHPHCZUBSTTI-AXAPSJFSSA-N 2 1 311.495 2.618 20 0 DFADMP C[N@H+]1CC[C@@H]2CCN(C(=O)CC[C@@H]([NH3+])CC3CCCCC3)[C@H]2C1 ZINC000424175344 429105495 /nfs/dbraw/zinc/10/54/95/429105495.db2.gz PRPFQPYAWFDBLO-KURKYZTESA-N 2 1 321.509 2.617 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423523199 429108976 /nfs/dbraw/zinc/10/89/76/429108976.db2.gz YMTVWSUPJXZDRC-WZGPROSRSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423523199 429108980 /nfs/dbraw/zinc/10/89/80/429108980.db2.gz YMTVWSUPJXZDRC-WZGPROSRSA-N 2 1 301.478 2.614 20 0 DFADMP CCC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccnc1 ZINC000423522211 429109464 /nfs/dbraw/zinc/10/94/64/429109464.db2.gz UEMCIJMNFWWPLU-ACBHZAAOSA-N 2 1 316.493 2.729 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423523198 429109520 /nfs/dbraw/zinc/10/95/20/429109520.db2.gz YMTVWSUPJXZDRC-JCHJZTRSSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423523198 429109524 /nfs/dbraw/zinc/10/95/24/429109524.db2.gz YMTVWSUPJXZDRC-JCHJZTRSSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H]1CC2(C[N@H+]1CCc1nc3ccccc3n1C)CC[NH2+]CC2 ZINC000424297532 429121883 /nfs/dbraw/zinc/12/18/83/429121883.db2.gz SVQZDZTYJOLTDX-HNNXBMFYSA-N 2 1 312.461 2.580 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(F)c1 ZINC000424299897 429122459 /nfs/dbraw/zinc/12/24/59/429122459.db2.gz WDJLILMWLFECJH-AWEZNQCLSA-N 2 1 319.424 2.537 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)s1 ZINC000376494143 429122807 /nfs/dbraw/zinc/12/28/07/429122807.db2.gz YZCAOSZZNNCWCX-CQSZACIVSA-N 2 1 317.462 2.617 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1C[C@H](C[NH3+])c1ccc(F)cc1 ZINC000424308139 429125181 /nfs/dbraw/zinc/12/51/81/429125181.db2.gz ZFVUDNOVGZIJID-FUHWJXTLSA-N 2 1 316.424 2.538 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000376515940 429127715 /nfs/dbraw/zinc/12/77/15/429127715.db2.gz WDJNLQLUJTWFTH-ZACQAIPSSA-N 2 1 322.493 2.772 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000424336353 429127776 /nfs/dbraw/zinc/12/77/76/429127776.db2.gz QCXLOSHCWRCYEQ-CHWSQXEVSA-N 2 1 301.203 2.948 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(NC(=O)NC2CC2)cc1 ZINC000424376838 429132338 /nfs/dbraw/zinc/13/23/38/429132338.db2.gz PYAAIFPFNOGBQL-CSMYWGQOSA-N 2 1 316.449 2.891 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1nccn1-c1ccccc1)CC[NH2+]CC2 ZINC000424386969 429132718 /nfs/dbraw/zinc/13/27/18/429132718.db2.gz XVRAQLIDXISWKG-MRXNPFEDSA-N 2 1 310.445 2.836 20 0 DFADMP COc1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc(OC)c1 ZINC000424383813 429132975 /nfs/dbraw/zinc/13/29/75/429132975.db2.gz UOOBJOFIIDDUFA-AWEZNQCLSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000424380300 429133587 /nfs/dbraw/zinc/13/35/87/429133587.db2.gz WSHFFKAJNYWDTI-DJSGYFEHSA-N 2 1 301.434 2.837 20 0 DFADMP COc1c(Br)cccc1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000435378040 429136062 /nfs/dbraw/zinc/13/60/62/429136062.db2.gz GSCIXBOLARWWJM-UHFFFAOYSA-N 2 1 315.255 2.874 20 0 DFADMP COc1c(Br)cccc1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000435378040 429136066 /nfs/dbraw/zinc/13/60/66/429136066.db2.gz GSCIXBOLARWWJM-UHFFFAOYSA-N 2 1 315.255 2.874 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OCc3cccnc3)C[C@@H]12 ZINC000435387558 429136636 /nfs/dbraw/zinc/13/66/36/429136636.db2.gz APZTYBUKGSIDDK-BHIYHBOVSA-N 2 1 323.440 2.830 20 0 DFADMP CCCCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376557647 429137026 /nfs/dbraw/zinc/13/70/26/429137026.db2.gz KQYZFVMGGOLFSB-NVXWUHKLSA-N 2 1 319.449 2.620 20 0 DFADMP CCCCC[C@@H](C)NC(=O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000376557647 429137031 /nfs/dbraw/zinc/13/70/31/429137031.db2.gz KQYZFVMGGOLFSB-NVXWUHKLSA-N 2 1 319.449 2.620 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc1OC ZINC000435439214 429141021 /nfs/dbraw/zinc/14/10/21/429141021.db2.gz UCRXSPBGSBTGCX-HNNXBMFYSA-N 2 1 322.449 2.676 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364034774 429161078 /nfs/dbraw/zinc/16/10/78/429161078.db2.gz HUAZCOSPJSDHKQ-PBHICJAKSA-N 2 1 324.538 2.593 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364034774 429161084 /nfs/dbraw/zinc/16/10/84/429161084.db2.gz HUAZCOSPJSDHKQ-PBHICJAKSA-N 2 1 324.538 2.593 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C/C=C/c2ccncc2)C1 ZINC000494958411 429166789 /nfs/dbraw/zinc/16/67/89/429166789.db2.gz VYTMLMKIWGGUOT-QWNKOJSDSA-N 2 1 303.450 2.528 20 0 DFADMP CC(C)OC(=O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000364343609 429187324 /nfs/dbraw/zinc/18/73/24/429187324.db2.gz OZRKNKABDRZJNH-SJLPKXTDSA-N 2 1 318.461 2.828 20 0 DFADMP CCOC(=O)N[C@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000495569333 429225421 /nfs/dbraw/zinc/22/54/21/429225421.db2.gz ONHAVWNTARGMCS-INIZCTEOSA-N 2 1 305.422 2.533 20 0 DFADMP COC(CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2)OC ZINC000364578441 429228098 /nfs/dbraw/zinc/22/80/98/429228098.db2.gz KWMXTYVLUOJTGO-LJQANCHMSA-N 2 1 318.461 2.593 20 0 DFADMP COC(C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)OC ZINC000364578441 429228103 /nfs/dbraw/zinc/22/81/03/429228103.db2.gz KWMXTYVLUOJTGO-LJQANCHMSA-N 2 1 318.461 2.593 20 0 DFADMP COC(C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2)OC ZINC000364578441 429228106 /nfs/dbraw/zinc/22/81/06/429228106.db2.gz KWMXTYVLUOJTGO-LJQANCHMSA-N 2 1 318.461 2.593 20 0 DFADMP C[C@@H](c1ccc2c(c1)CCC2)N1CCC([N@@H+](C)CCO)CC1 ZINC000445278073 429285629 /nfs/dbraw/zinc/28/56/29/429285629.db2.gz XMIAPSFVXAAXJK-HNNXBMFYSA-N 2 1 302.462 2.625 20 0 DFADMP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000445278073 429285633 /nfs/dbraw/zinc/28/56/33/429285633.db2.gz XMIAPSFVXAAXJK-HNNXBMFYSA-N 2 1 302.462 2.625 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+][C@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495669644 429242101 /nfs/dbraw/zinc/24/21/01/429242101.db2.gz MHCGORQYGQDZEI-ZIAGYGMSSA-N 2 1 313.486 2.562 20 0 DFADMP Clc1cc2c(c(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)c1)OCC2 ZINC000364663275 429245193 /nfs/dbraw/zinc/24/51/93/429245193.db2.gz VPVCNLSUCYQPHL-CQSZACIVSA-N 2 1 303.793 2.576 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364716898 429256374 /nfs/dbraw/zinc/25/63/74/429256374.db2.gz XULNSEDIUWMBCO-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccc(Cl)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000364716898 429256379 /nfs/dbraw/zinc/25/63/79/429256379.db2.gz XULNSEDIUWMBCO-CZUORRHYSA-N 2 1 319.836 2.764 20 0 DFADMP CCc1cccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000364928754 429268690 /nfs/dbraw/zinc/26/86/90/429268690.db2.gz GIZCYTXVAWGMJG-FXAWDEMLSA-N 2 1 315.505 2.707 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813740 429270420 /nfs/dbraw/zinc/27/04/20/429270420.db2.gz JECHQUFPCPYJDM-KGLIPLIRSA-N 2 1 313.486 2.562 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813740 429270423 /nfs/dbraw/zinc/27/04/23/429270423.db2.gz JECHQUFPCPYJDM-KGLIPLIRSA-N 2 1 313.486 2.562 20 0 DFADMP CC[C@H](C)[N@H+](C)CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813739 429271466 /nfs/dbraw/zinc/27/14/66/429271466.db2.gz JECHQUFPCPYJDM-KBPBESRZSA-N 2 1 313.486 2.562 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495813739 429271469 /nfs/dbraw/zinc/27/14/69/429271469.db2.gz JECHQUFPCPYJDM-KBPBESRZSA-N 2 1 313.486 2.562 20 0 DFADMP COCC[N@H+](C)CCC[NH2+]Cc1cc2ccccc2cc1OC ZINC000449074798 429325526 /nfs/dbraw/zinc/32/55/26/429325526.db2.gz CMYXWTKCMWLVDQ-UHFFFAOYSA-N 2 1 316.445 2.906 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1cc2ccccc2cc1OC ZINC000449074798 429325528 /nfs/dbraw/zinc/32/55/28/429325528.db2.gz CMYXWTKCMWLVDQ-UHFFFAOYSA-N 2 1 316.445 2.906 20 0 DFADMP Cc1cccc(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000449164463 429347607 /nfs/dbraw/zinc/34/76/07/429347607.db2.gz PYCNBPKQAKBNAW-NRFANRHFSA-N 2 1 324.468 2.764 20 0 DFADMP Cc1cccc(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000449164463 429347609 /nfs/dbraw/zinc/34/76/09/429347609.db2.gz PYCNBPKQAKBNAW-NRFANRHFSA-N 2 1 324.468 2.764 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@H+]2C)CC1 ZINC000449102003 429332942 /nfs/dbraw/zinc/33/29/42/429332942.db2.gz HWNZLKQOVBLRMM-FXAWDEMLSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCN2C)CC1 ZINC000449102003 429332946 /nfs/dbraw/zinc/33/29/46/429332946.db2.gz HWNZLKQOVBLRMM-FXAWDEMLSA-N 2 1 315.505 2.766 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)N[C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449147647 429344133 /nfs/dbraw/zinc/34/41/33/429344133.db2.gz HPFMKQJLOWYFSK-UONOGXRCSA-N 2 1 314.433 2.746 20 0 DFADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000456368119 429290747 /nfs/dbraw/zinc/29/07/47/429290747.db2.gz DUDDMBVDPLGDIK-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000456368119 429290751 /nfs/dbraw/zinc/29/07/51/429290751.db2.gz DUDDMBVDPLGDIK-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@H]1C[NH+](CC)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000456368119 429290752 /nfs/dbraw/zinc/29/07/52/429290752.db2.gz DUDDMBVDPLGDIK-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP CO[C@@H](C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425427831 429292808 /nfs/dbraw/zinc/29/28/08/429292808.db2.gz VJISGACIGXXIFL-FCEWJHQRSA-N 2 1 324.509 2.623 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000426494047 429398071 /nfs/dbraw/zinc/39/80/71/429398071.db2.gz BAFYVEXLRMXTPL-DLBZAZTESA-N 2 1 311.514 2.734 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457118434 429407724 /nfs/dbraw/zinc/40/77/24/429407724.db2.gz MWXORQKRXUAKBA-MSOLQXFVSA-N 2 1 317.477 2.621 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)[C@@H]1CC[NH+](C(C)C)C1)c1ccccc1 ZINC000457118434 429407726 /nfs/dbraw/zinc/40/77/26/429407726.db2.gz MWXORQKRXUAKBA-MSOLQXFVSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000457118434 429407729 /nfs/dbraw/zinc/40/77/29/429407729.db2.gz MWXORQKRXUAKBA-MSOLQXFVSA-N 2 1 317.477 2.621 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C(C)C)C1)c1ccccc1 ZINC000457118434 429407733 /nfs/dbraw/zinc/40/77/33/429407733.db2.gz MWXORQKRXUAKBA-MSOLQXFVSA-N 2 1 317.477 2.621 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000425928384 429352474 /nfs/dbraw/zinc/35/24/74/429352474.db2.gz VHXJBYPSSQKAJB-VOBGVNJCSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C[NH+](C)C ZINC000425928384 429352477 /nfs/dbraw/zinc/35/24/77/429352477.db2.gz VHXJBYPSSQKAJB-VOBGVNJCSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C[NH+](C)C ZINC000425928384 429352479 /nfs/dbraw/zinc/35/24/79/429352479.db2.gz VHXJBYPSSQKAJB-VOBGVNJCSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1[C@H](CO)CC[N@H+]1CC(C)(C)C[NH+](C)Cc1ccccc1 ZINC000425977476 429356219 /nfs/dbraw/zinc/35/62/19/429356219.db2.gz VITZGDRHLBVUHJ-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1[C@H](CO)CC[NH+]1CC(C)(C)C[N@H+](C)Cc1ccccc1 ZINC000425977476 429356223 /nfs/dbraw/zinc/35/62/23/429356223.db2.gz VITZGDRHLBVUHJ-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1[C@H](CO)CC[NH+]1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000425977476 429356225 /nfs/dbraw/zinc/35/62/25/429356225.db2.gz VITZGDRHLBVUHJ-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@@H+]1C[C@H]2CN(Cc3ccc4c(c3)CCC(C)(C)O4)C[C@H]2C1 ZINC000425989346 429357203 /nfs/dbraw/zinc/35/72/03/429357203.db2.gz RSIMBGSDJRFSIM-CALCHBBNSA-N 2 1 300.446 2.784 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC000425989346 429357207 /nfs/dbraw/zinc/35/72/07/429357207.db2.gz RSIMBGSDJRFSIM-CALCHBBNSA-N 2 1 300.446 2.784 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc4c(c3)CCC(C)(C)O4)C[C@@H]2C1 ZINC000425989346 429357212 /nfs/dbraw/zinc/35/72/12/429357212.db2.gz RSIMBGSDJRFSIM-CALCHBBNSA-N 2 1 300.446 2.784 20 0 DFADMP CC[C@@](C)(CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449218251 429359471 /nfs/dbraw/zinc/35/94/71/429359471.db2.gz GRASTJDJDDAZES-APWZRJJASA-N 2 1 304.478 2.833 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000365735183 429365456 /nfs/dbraw/zinc/36/54/56/429365456.db2.gz KFRIJWRSTVMUPE-PLTIAYLTSA-N 2 1 302.418 2.734 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000365735183 429365459 /nfs/dbraw/zinc/36/54/59/429365459.db2.gz KFRIJWRSTVMUPE-PLTIAYLTSA-N 2 1 302.418 2.734 20 0 DFADMP CCNC(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449253945 429366937 /nfs/dbraw/zinc/36/69/37/429366937.db2.gz VDZJHWKLOKMRJT-CQSZACIVSA-N 2 1 311.514 2.780 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000426296008 429381471 /nfs/dbraw/zinc/38/14/71/429381471.db2.gz PBXAPZNLIQUUDP-LMSBXDPUSA-N 2 1 317.452 2.867 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)cc1 ZINC000365841515 429382956 /nfs/dbraw/zinc/38/29/56/429382956.db2.gz PKDMLCBWRNWEIT-RDJZCZTQSA-N 2 1 301.434 2.561 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@@H]2C[C@H]3CCCC[N@H+]3C2)cc1 ZINC000365841514 429383360 /nfs/dbraw/zinc/38/33/60/429383360.db2.gz PKDMLCBWRNWEIT-NVXWUHKLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(C)[C@@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268879012 275668284 /nfs/dbraw/zinc/66/82/84/275668284.db2.gz JPKAMDMPKBQHLW-LJQANCHMSA-N 2 1 304.478 2.690 20 0 DFADMP Cc1cccc(CC[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000449326339 429387473 /nfs/dbraw/zinc/38/74/73/429387473.db2.gz UUSSZQAHURVTRK-SFHVURJKSA-N 2 1 315.505 2.638 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+] ZINC000449326435 429388180 /nfs/dbraw/zinc/38/81/80/429388180.db2.gz VTMHAWZLKIVULZ-ZACQAIPSSA-N 2 1 309.498 2.665 20 0 DFADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426708266 429410776 /nfs/dbraw/zinc/41/07/76/429410776.db2.gz IFIJASAESZVKON-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561612 429448265 /nfs/dbraw/zinc/44/82/65/429448265.db2.gz WDFAVXIGJHOEJD-RJCAOGMDSA-N 2 1 319.424 2.758 20 0 DFADMP c1c[nH]c([C@@H](N[C@H]2CC[N@H+](C3CCCC3)C2)c2cccnc2)n1 ZINC000366453002 429454690 /nfs/dbraw/zinc/45/46/90/429454690.db2.gz SFMFPQJKJZGGCB-RDJZCZTQSA-N 2 1 311.433 2.501 20 0 DFADMP c1c[nH]c([C@@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)c2cccnc2)n1 ZINC000366453003 429455457 /nfs/dbraw/zinc/45/54/57/429455457.db2.gz SFMFPQJKJZGGCB-WBVHZDCISA-N 2 1 311.433 2.501 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCC[C@H]3O)sc2C1 ZINC000449583880 429455516 /nfs/dbraw/zinc/45/55/16/429455516.db2.gz BWHUGXMENLRHLL-DZGCQCFKSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@H]3CCCC[C@H]3O)sc2C1 ZINC000449583880 429455519 /nfs/dbraw/zinc/45/55/19/429455519.db2.gz BWHUGXMENLRHLL-DZGCQCFKSA-N 2 1 323.506 2.550 20 0 DFADMP CCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)COC1 ZINC000449601387 429459368 /nfs/dbraw/zinc/45/93/68/429459368.db2.gz RJJIUQGBXYKEEO-IPMKNSEASA-N 2 1 314.473 2.913 20 0 DFADMP CCC1(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000449602451 429459433 /nfs/dbraw/zinc/45/94/33/429459433.db2.gz DHTRLDGDIDSUMQ-FUHWJXTLSA-N 2 1 302.462 2.913 20 0 DFADMP CC[C@@H]([NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2)[C@@H](O)CC ZINC000449642965 429468816 /nfs/dbraw/zinc/46/88/16/429468816.db2.gz YIMUIUBBJSIZQD-OCCSQVGLSA-N 2 1 311.495 2.549 20 0 DFADMP CC[C@@H]([NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2)[C@@H](O)CC ZINC000449642965 429468819 /nfs/dbraw/zinc/46/88/19/429468819.db2.gz YIMUIUBBJSIZQD-OCCSQVGLSA-N 2 1 311.495 2.549 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCCCC[NH+](C)C1CC1)c1ccccc1 ZINC000457203327 429425319 /nfs/dbraw/zinc/42/53/19/429425319.db2.gz OKPRLFFXQXILHB-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@H+](C)C1CC1)c1ccccc1 ZINC000457203327 429425322 /nfs/dbraw/zinc/42/53/22/429425322.db2.gz OKPRLFFXQXILHB-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCCCC[N@@H+](C)C1CC1)c1ccccc1 ZINC000457203327 429425324 /nfs/dbraw/zinc/42/53/24/429425324.db2.gz OKPRLFFXQXILHB-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC1(C)Cc2cccc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2O1 ZINC000518534547 429426312 /nfs/dbraw/zinc/42/63/12/429426312.db2.gz IUTNSNGPUUKPPC-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2O1 ZINC000518534547 429426314 /nfs/dbraw/zinc/42/63/14/429426314.db2.gz IUTNSNGPUUKPPC-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000427121469 429433415 /nfs/dbraw/zinc/43/34/15/429433415.db2.gz ITKLREDLGVXSGO-AEFFLSMTSA-N 2 1 310.445 2.579 20 0 DFADMP COc1ccc(Cl)cc1[C@H](C)NC[C@@H]1C[N@H+]2CCC[C@H]2CO1 ZINC000366219616 429436405 /nfs/dbraw/zinc/43/64/05/429436405.db2.gz SBBVOOGUNXZWEG-AEGPPILISA-N 2 1 324.852 2.862 20 0 DFADMP COc1ccc(Cl)cc1[C@H](C)[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000366219616 429436408 /nfs/dbraw/zinc/43/64/08/429436408.db2.gz SBBVOOGUNXZWEG-AEGPPILISA-N 2 1 324.852 2.862 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CCCC[NH+](C)C)c1 ZINC000519671726 429477274 /nfs/dbraw/zinc/47/72/74/429477274.db2.gz IUNZMMSSEUWQMQ-UHFFFAOYSA-N 2 1 319.493 2.875 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427898313 429477479 /nfs/dbraw/zinc/47/74/79/429477479.db2.gz SZDBJCQAXHSAQH-QRQLOZEOSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCn2ccnc2C1 ZINC000427898313 429477485 /nfs/dbraw/zinc/47/74/85/429477485.db2.gz SZDBJCQAXHSAQH-QRQLOZEOSA-N 2 1 324.472 2.698 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)[C@H](C)C1 ZINC000427967835 429479394 /nfs/dbraw/zinc/47/93/94/429479394.db2.gz SKUSWNRZCHWUCT-IKGGRYGDSA-N 2 1 312.498 2.671 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428031582 429484267 /nfs/dbraw/zinc/48/42/67/429484267.db2.gz LQVBRPXBHCSFRK-SWLSCSKDSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H]3[NH2+]CC[C@H]3C2)cc1 ZINC000428031582 429484272 /nfs/dbraw/zinc/48/42/72/429484272.db2.gz LQVBRPXBHCSFRK-SWLSCSKDSA-N 2 1 314.351 2.768 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@H](O)C(C)C)cc1F ZINC000366596104 429484588 /nfs/dbraw/zinc/48/45/88/429484588.db2.gz JJOVGUDDXZPEQD-SJKOYZFVSA-N 2 1 305.397 2.987 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1 ZINC000519803626 429489667 /nfs/dbraw/zinc/48/96/67/429489667.db2.gz SQEKWTWFHNPXKJ-QRVBRYPASA-N 2 1 304.478 2.690 20 0 DFADMP C[C@@H]1C[C@@H](O)C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000449767761 429501776 /nfs/dbraw/zinc/50/17/76/429501776.db2.gz QWCOVMVJADQTJT-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@@H](O)C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000449767761 429501782 /nfs/dbraw/zinc/50/17/82/429501782.db2.gz QWCOVMVJADQTJT-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1C[C@@H](O)C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000449767761 429501787 /nfs/dbraw/zinc/50/17/87/429501787.db2.gz QWCOVMVJADQTJT-SJLPKXTDSA-N 2 1 304.478 2.847 20 0 DFADMP Cc1cnc([C@@H](C)[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)cn1 ZINC000428237632 429502874 /nfs/dbraw/zinc/50/28/74/429502874.db2.gz BJMBLXFJECBTKH-HZPDHXFCSA-N 2 1 311.433 2.983 20 0 DFADMP CCc1nc(C)c(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)o1 ZINC000428252498 429504483 /nfs/dbraw/zinc/50/44/83/429504483.db2.gz IJVUBORXCTVAOP-UHFFFAOYSA-N 2 1 302.422 2.734 20 0 DFADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@@H+]1CCCC1(C)C ZINC000449780491 429508365 /nfs/dbraw/zinc/50/83/65/429508365.db2.gz GBQZFKYSFKJIEA-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CC[N@H+]1CCCC1(C)C ZINC000449780491 429508367 /nfs/dbraw/zinc/50/83/67/429508367.db2.gz GBQZFKYSFKJIEA-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCC[C@H](c3ccnn3C)C2)C1 ZINC000366794394 429516024 /nfs/dbraw/zinc/51/60/24/429516024.db2.gz ZPWSKGCRAWQASC-IKGGRYGDSA-N 2 1 304.482 2.768 20 0 DFADMP CCN(CC)C(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000366822578 429520521 /nfs/dbraw/zinc/52/05/21/429520521.db2.gz QJJNZKZFUAFVJC-GOSISDBHSA-N 2 1 302.466 2.765 20 0 DFADMP C[NH+]1CC[C@@H](NC[C@H]2CCC[N@H+](C)C2)C[C@H]1c1ccccc1 ZINC000521414166 429551320 /nfs/dbraw/zinc/55/13/20/429551320.db2.gz YTJZGJUWBVGUFP-QRQLOZEOSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000521414166 429551324 /nfs/dbraw/zinc/55/13/24/429551324.db2.gz YTJZGJUWBVGUFP-QRQLOZEOSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000521414166 429551328 /nfs/dbraw/zinc/55/13/28/429551328.db2.gz YTJZGJUWBVGUFP-QRQLOZEOSA-N 3 1 301.478 2.753 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1 ZINC000367032537 429562612 /nfs/dbraw/zinc/56/26/12/429562612.db2.gz ZWYZTBIUHDXZQA-ICSRJNTNSA-N 2 1 315.505 2.761 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC23CCOCC3)[C@H](C)C1 ZINC000367050962 429564946 /nfs/dbraw/zinc/56/49/46/429564946.db2.gz URNFIMQMWYGVFI-FGTMMUONSA-N 2 1 324.509 2.672 20 0 DFADMP CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000367052060 429565218 /nfs/dbraw/zinc/56/52/18/429565218.db2.gz HMFUUCHJPZBINA-LZWOXQAQSA-N 2 1 323.506 2.587 20 0 DFADMP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000367076072 429571241 /nfs/dbraw/zinc/57/12/41/429571241.db2.gz ZFHHYKWQSWGURN-AETAKHFUSA-N 2 1 311.429 2.988 20 0 DFADMP COc1ncc([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000367071442 429572017 /nfs/dbraw/zinc/57/20/17/429572017.db2.gz BMHMHLNIRBHWOJ-JQWIXIFHSA-N 2 1 306.797 2.606 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+](Cc3ccccc3Cl)C2)CC1 ZINC000367116404 429581743 /nfs/dbraw/zinc/58/17/43/429581743.db2.gz BZRVDWFANHYOCD-INIZCTEOSA-N 2 1 321.896 2.799 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](Cc3ccccc3Cl)C2)CC1 ZINC000367116404 429581747 /nfs/dbraw/zinc/58/17/47/429581747.db2.gz BZRVDWFANHYOCD-INIZCTEOSA-N 2 1 321.896 2.799 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H](C)C[NH2+]C)cc1 ZINC000429235120 429588373 /nfs/dbraw/zinc/58/83/73/429588373.db2.gz QHAXEUOQTYXONU-HNNXBMFYSA-N 2 1 305.466 2.504 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)C[C@@H](C)NC(=O)OC(C)(C)C)CC1 ZINC000492438750 429537174 /nfs/dbraw/zinc/53/71/74/429537174.db2.gz UHYGJKVFFOZWTP-CQSZACIVSA-N 2 1 313.486 2.706 20 0 DFADMP CCc1nn(C)c(Cl)c1C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000366949670 429545000 /nfs/dbraw/zinc/54/50/00/429545000.db2.gz CZJLTZWZFLNITB-UHFFFAOYSA-N 2 1 324.900 2.944 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000367309256 429617042 /nfs/dbraw/zinc/61/70/42/429617042.db2.gz UXCBUVFQEWVZJV-KGLIPLIRSA-N 2 1 301.390 2.995 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000367309256 429617047 /nfs/dbraw/zinc/61/70/47/429617047.db2.gz UXCBUVFQEWVZJV-KGLIPLIRSA-N 2 1 301.390 2.995 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000429671641 429624190 /nfs/dbraw/zinc/62/41/90/429624190.db2.gz AONHKHQSEVIBRJ-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@H+]2CCC[C@H]2CC2CCCCC2)CC1 ZINC000429671641 429624193 /nfs/dbraw/zinc/62/41/93/429624193.db2.gz AONHKHQSEVIBRJ-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP COC(=O)[C@H]1C[N@@H+](CCCc2cnccc2C)CC12CCC2 ZINC000367370973 429632140 /nfs/dbraw/zinc/63/21/40/429632140.db2.gz NMYWEXXLGVJBSY-MRXNPFEDSA-N 2 1 302.418 2.598 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)c2ccccc2)C[C@H]1C ZINC000450466242 429633410 /nfs/dbraw/zinc/63/34/10/429633410.db2.gz IJLUKKSEUOCIBF-FPAYPSAMSA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@H](C)c2ccccc2)C[C@H]1C ZINC000450466242 429633413 /nfs/dbraw/zinc/63/34/13/429633413.db2.gz IJLUKKSEUOCIBF-FPAYPSAMSA-N 2 1 304.478 2.956 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)c2ccccc2)C[C@H]1C ZINC000450466242 429633415 /nfs/dbraw/zinc/63/34/15/429633415.db2.gz IJLUKKSEUOCIBF-FPAYPSAMSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@H]1CCC[C@H](C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)C1 ZINC000525024667 429643034 /nfs/dbraw/zinc/64/30/34/429643034.db2.gz YVOMXPRAZVAMKX-GJZGRUSLSA-N 2 1 316.449 2.598 20 0 DFADMP CCC[N@H+](CC[C@@H](C)O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450556928 429646333 /nfs/dbraw/zinc/64/63/33/429646333.db2.gz HNZPUKJCGDBGSN-OAHLLOKOSA-N 2 1 320.481 2.545 20 0 DFADMP CCC[N@@H+](CC[C@@H](C)O)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000450556928 429646338 /nfs/dbraw/zinc/64/63/38/429646338.db2.gz HNZPUKJCGDBGSN-OAHLLOKOSA-N 2 1 320.481 2.545 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1 ZINC000367201723 429595303 /nfs/dbraw/zinc/59/53/03/429595303.db2.gz VBMLCNGAQCHCOU-UHFFFAOYSA-N 2 1 315.461 2.741 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(COc2ccccn2)CC1 ZINC000367215750 429597862 /nfs/dbraw/zinc/59/78/62/429597862.db2.gz MICZDZWABRFJSU-KRWDZBQOSA-N 2 1 303.450 2.657 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2CC(F)(F)C2)CC1 ZINC000450329504 429601471 /nfs/dbraw/zinc/60/14/71/429601471.db2.gz QONZAXJIFVTJRV-GASCZTMLSA-N 2 1 315.452 2.522 20 0 DFADMP CC(C)CC(=O)N1CCC(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)CC1 ZINC000367252559 429605778 /nfs/dbraw/zinc/60/57/78/429605778.db2.gz NETARAPAVBNLKR-SFHVURJKSA-N 2 1 323.525 2.687 20 0 DFADMP OC[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[C@H]1c1ccc(F)cc1 ZINC000429407607 429607973 /nfs/dbraw/zinc/60/79/73/429607973.db2.gz JXFMRGPSIDMENA-AKHDSKFASA-N 2 1 318.436 2.508 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429430557 429608614 /nfs/dbraw/zinc/60/86/14/429608614.db2.gz RYBCDTQAWCKBDL-CSJNCLCHSA-N 2 1 320.452 2.610 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000523509863 429609567 /nfs/dbraw/zinc/60/95/67/429609567.db2.gz PUMMKAPJNRHCHM-OAGGEKHMSA-N 2 1 309.498 2.581 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000429453795 429609924 /nfs/dbraw/zinc/60/99/24/429609924.db2.gz RWLPWJIGNWXAQO-LTIDMASMSA-N 2 1 324.415 2.503 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@H]2c2ccc(F)cc2)[C@H](C)C1 ZINC000429460194 429610021 /nfs/dbraw/zinc/61/00/21/429610021.db2.gz XENYQWQLLOQGNC-FCLVOEFKSA-N 2 1 320.452 2.612 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450373825 429612146 /nfs/dbraw/zinc/61/21/46/429612146.db2.gz UXKFWFVWBDFVRD-AWEZNQCLSA-N 2 1 310.869 2.660 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000450373825 429612148 /nfs/dbraw/zinc/61/21/48/429612148.db2.gz UXKFWFVWBDFVRD-AWEZNQCLSA-N 2 1 310.869 2.660 20 0 DFADMP Cc1cccc2c(NC[C@@H]3CCC[N@H+]3CCCO)c(C)c[nH+]c12 ZINC000450599980 429659300 /nfs/dbraw/zinc/65/93/00/429659300.db2.gz UQCPBQOKKNWUDC-INIZCTEOSA-N 2 1 313.445 2.532 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367526029 429665272 /nfs/dbraw/zinc/66/52/72/429665272.db2.gz FTJDMFLJCNANBW-KSZLIROESA-N 2 1 318.461 2.709 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367526030 429665949 /nfs/dbraw/zinc/66/59/49/429665949.db2.gz FTJDMFLJCNANBW-KURKYZTESA-N 2 1 318.461 2.709 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]C2CCCCC2)c2cccs2)CC1 ZINC000525694112 429667081 /nfs/dbraw/zinc/66/70/81/429667081.db2.gz UEJIDIOUKYSDGZ-MRXNPFEDSA-N 2 1 307.507 2.959 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H]3CC4(CC4)C(=O)O3)C2)CC1 ZINC000370203061 276198608 /nfs/dbraw/zinc/19/86/08/276198608.db2.gz DNTQOMUORWCSGB-IRXDYDNUSA-N 2 1 320.477 2.526 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H]3CC4(CC4)C(=O)O3)C2)CC1 ZINC000370203061 276198610 /nfs/dbraw/zinc/19/86/10/276198610.db2.gz DNTQOMUORWCSGB-IRXDYDNUSA-N 2 1 320.477 2.526 20 0 DFADMP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000367603084 429681566 /nfs/dbraw/zinc/68/15/66/429681566.db2.gz YDYUWZPMVCUIIX-UHOSZYNNSA-N 3 1 319.468 2.850 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000367603084 429681572 /nfs/dbraw/zinc/68/15/72/429681572.db2.gz YDYUWZPMVCUIIX-UHOSZYNNSA-N 2 1 319.468 2.850 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)ccc1F ZINC000367603084 429681576 /nfs/dbraw/zinc/68/15/76/429681576.db2.gz YDYUWZPMVCUIIX-UHOSZYNNSA-N 2 1 319.468 2.850 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000093639010 276225516 /nfs/dbraw/zinc/22/55/16/276225516.db2.gz XBWVTBGBQMJKTP-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000093639010 276225517 /nfs/dbraw/zinc/22/55/17/276225517.db2.gz XBWVTBGBQMJKTP-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(NC(C)=O)cc2)[C@H](C)C1 ZINC000093639010 276225518 /nfs/dbraw/zinc/22/55/18/276225518.db2.gz XBWVTBGBQMJKTP-KDOFPFPSSA-N 2 1 303.450 2.807 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430541450 429689919 /nfs/dbraw/zinc/68/99/19/429689919.db2.gz ISSMXOYGEZFUGB-SZMVWBNQSA-N 2 1 317.477 2.655 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000430541450 429689924 /nfs/dbraw/zinc/68/99/24/429689924.db2.gz ISSMXOYGEZFUGB-SZMVWBNQSA-N 2 1 317.477 2.655 20 0 DFADMP CCC[C@@H](NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430554815 429689000 /nfs/dbraw/zinc/68/90/00/429689000.db2.gz NVLPGYOAQLHGBW-NVXWUHKLSA-N 2 1 319.493 2.949 20 0 DFADMP CCC[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])c1ccccc1 ZINC000430554815 429689007 /nfs/dbraw/zinc/68/90/07/429689007.db2.gz NVLPGYOAQLHGBW-NVXWUHKLSA-N 2 1 319.493 2.949 20 0 DFADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CC(C)(C)C[NH3+] ZINC000430561282 429691797 /nfs/dbraw/zinc/69/17/97/429691797.db2.gz ZSMUMVZMANGWOF-KGLIPLIRSA-N 2 1 323.506 2.717 20 0 DFADMP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@@H+](C)CC(C)(C)C[NH3+] ZINC000430561282 429691798 /nfs/dbraw/zinc/69/17/98/429691798.db2.gz ZSMUMVZMANGWOF-KGLIPLIRSA-N 2 1 323.506 2.717 20 0 DFADMP C[N@@H+](CCCc1nc(-c2ccccc2)no1)CC(C)(C)C[NH3+] ZINC000430576343 429695880 /nfs/dbraw/zinc/69/58/80/429695880.db2.gz BIRNGHRGBRCVKM-UHFFFAOYSA-N 2 1 302.422 2.586 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000430579260 429696500 /nfs/dbraw/zinc/69/65/00/429696500.db2.gz BYLWROGXFYKUKY-VBQJREDUSA-N 2 1 323.456 2.697 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@@H](C)c1ccc(F)cc1 ZINC000430579260 429696503 /nfs/dbraw/zinc/69/65/03/429696503.db2.gz BYLWROGXFYKUKY-VBQJREDUSA-N 2 1 323.456 2.697 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1ccc(Br)c(F)c1)C1CC1 ZINC000430579163 429696759 /nfs/dbraw/zinc/69/67/59/429696759.db2.gz XYUBBIRWXSZTCK-CYBMUJFWSA-N 2 1 301.203 2.805 20 0 DFADMP CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361527791 276366159 /nfs/dbraw/zinc/36/61/59/276366159.db2.gz SXNDEHUGSYKCEX-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361527791 276366160 /nfs/dbraw/zinc/36/61/60/276366160.db2.gz SXNDEHUGSYKCEX-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+]1CCCC[C@H]1CNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000361527791 276366162 /nfs/dbraw/zinc/36/61/62/276366162.db2.gz SXNDEHUGSYKCEX-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1cc(F)cc(Br)c1)C1CC1 ZINC000430583977 429697461 /nfs/dbraw/zinc/69/74/61/429697461.db2.gz NSCGHSFAUAOSLP-ZDUSSCGKSA-N 2 1 301.203 2.805 20 0 DFADMP Cc1nn(C)c(C)c1C[N@@H+](C)C1CCN(c2cc[nH+]cc2)CC1 ZINC000367687008 429699854 /nfs/dbraw/zinc/69/98/54/429699854.db2.gz MUWCCVPGRIUIRC-UHFFFAOYSA-N 2 1 313.449 2.533 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)CCCc1nc(-c2ccccc2)no1 ZINC000430591527 429697916 /nfs/dbraw/zinc/69/79/16/429697916.db2.gz KIBZBNNAICMGHQ-MRXNPFEDSA-N 2 1 316.449 2.974 20 0 DFADMP CC(C)[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000367930573 429745778 /nfs/dbraw/zinc/74/57/78/429745778.db2.gz JDKBPJCEVOBHIK-BHIYHBOVSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000367930573 429745782 /nfs/dbraw/zinc/74/57/82/429745782.db2.gz JDKBPJCEVOBHIK-BHIYHBOVSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000367930573 429745786 /nfs/dbraw/zinc/74/57/86/429745786.db2.gz JDKBPJCEVOBHIK-BHIYHBOVSA-N 2 1 304.478 2.846 20 0 DFADMP CC(C)[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000367930573 429745792 /nfs/dbraw/zinc/74/57/92/429745792.db2.gz JDKBPJCEVOBHIK-BHIYHBOVSA-N 2 1 304.478 2.846 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000430629742 429704250 /nfs/dbraw/zinc/70/42/50/429704250.db2.gz QTYNHQYKPFYCKC-HNNXBMFYSA-N 2 1 314.433 2.601 20 0 DFADMP CC(C)c1cc(NC[C@@H](C)[N@@H+]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462777275 429706360 /nfs/dbraw/zinc/70/63/60/429706360.db2.gz LRFHEYKJRDLGAV-LSDHHAIUSA-N 2 1 319.497 3.198 20 0 DFADMP CC(C)c1cc(NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)nc(N(C)C)[nH+]1 ZINC000462777275 429706365 /nfs/dbraw/zinc/70/63/65/429706365.db2.gz LRFHEYKJRDLGAV-LSDHHAIUSA-N 2 1 319.497 3.198 20 0 DFADMP CC(C)c1cc(NC2CC[NH+](C(C)(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000462779701 429707597 /nfs/dbraw/zinc/70/75/97/429707597.db2.gz SNTUJJYXXQMUOD-UHFFFAOYSA-N 2 1 319.497 3.341 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367738363 429709451 /nfs/dbraw/zinc/70/94/51/429709451.db2.gz UAKQOJXDCUMTIM-QRVBRYPASA-N 2 1 315.461 2.650 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1[NH2+]CCCC1(C)C)c1ccccc1 ZINC000430731248 429714694 /nfs/dbraw/zinc/71/46/94/429714694.db2.gz LFYVXNCJLAYHPY-IAGOWNOFSA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000367785145 429717385 /nfs/dbraw/zinc/71/73/85/429717385.db2.gz WEGIVJOFZLNYOS-IBGZPJMESA-N 2 1 316.489 2.991 20 0 DFADMP C[NH2+]CC1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000430934236 429724875 /nfs/dbraw/zinc/72/48/75/429724875.db2.gz OCJGJKHWOZQTOK-AWEZNQCLSA-N 2 1 314.433 2.653 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCSC3)C2)nc(C)[nH+]1 ZINC000367829910 429725646 /nfs/dbraw/zinc/72/56/46/429725646.db2.gz DKVCMLBXKKEECO-LSDHHAIUSA-N 2 1 306.479 2.547 20 0 DFADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000482549049 429725823 /nfs/dbraw/zinc/72/58/23/429725823.db2.gz CAGSUESIXXGSAC-MSOLQXFVSA-N 2 1 323.525 2.912 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCOC1 ZINC000482436598 429727051 /nfs/dbraw/zinc/72/70/51/429727051.db2.gz IYWKNFMDDTWMDR-AABGKKOBSA-N 2 1 316.489 2.956 20 0 DFADMP C[C@H]1C[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)CC[C@@H]1[NH3+] ZINC000430970874 429730732 /nfs/dbraw/zinc/73/07/32/429730732.db2.gz IWZLTKGQDCXNGX-FZMZJTMJSA-N 2 1 320.824 2.602 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000431070958 429739467 /nfs/dbraw/zinc/73/94/67/429739467.db2.gz NAKUKSPJYLEDPE-OAHLLOKOSA-N 2 1 314.433 2.718 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@H](Cc3ccccc3)C2)n1 ZINC000431070958 429739471 /nfs/dbraw/zinc/73/94/71/429739471.db2.gz NAKUKSPJYLEDPE-OAHLLOKOSA-N 2 1 314.433 2.718 20 0 DFADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000431065826 429739660 /nfs/dbraw/zinc/73/96/60/429739660.db2.gz KUYMNTPZCODLIN-QWHCGFSZSA-N 2 1 324.469 2.679 20 0 DFADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@@H](OCC)C1(C)C ZINC000431065826 429739663 /nfs/dbraw/zinc/73/96/63/429739663.db2.gz KUYMNTPZCODLIN-QWHCGFSZSA-N 2 1 324.469 2.679 20 0 DFADMP CCC[N@@H+](CCCOc1ccc2c(c1)OCO2)C1CC[NH2+]CC1 ZINC000431097190 429741321 /nfs/dbraw/zinc/74/13/21/429741321.db2.gz CQIZKJPQYADFEZ-UHFFFAOYSA-N 2 1 320.433 2.648 20 0 DFADMP CCO[C@@]1(C)C[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000527783521 429796590 /nfs/dbraw/zinc/79/65/90/429796590.db2.gz YARNYAQQOUQIRQ-MOPGFXCFSA-N 2 1 302.462 2.851 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)cn1 ZINC000432073536 429798175 /nfs/dbraw/zinc/79/81/75/429798175.db2.gz XAUOQFBALXLERA-OAHLLOKOSA-N 2 1 312.417 2.613 20 0 DFADMP COc1ccc(CN2CC[C@@H](n3cnc4c3CCCC4)C2)cn1 ZINC000432073536 429798178 /nfs/dbraw/zinc/79/81/78/429798178.db2.gz XAUOQFBALXLERA-OAHLLOKOSA-N 2 1 312.417 2.613 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)/C=C/C2CCCC2)CC1 ZINC000493671515 429806728 /nfs/dbraw/zinc/80/67/28/429806728.db2.gz AYPANSNIWSHXPQ-VOTSOKGWSA-N 2 1 314.433 2.518 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3ccc(CO)cc3)C2)c1 ZINC000367935014 429748225 /nfs/dbraw/zinc/74/82/25/429748225.db2.gz VMTKVKAPEPPEQU-GOSISDBHSA-N 2 1 311.429 2.816 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3ccc(CO)cc3)C2)c1 ZINC000367935014 429748229 /nfs/dbraw/zinc/74/82/29/429748229.db2.gz VMTKVKAPEPPEQU-GOSISDBHSA-N 2 1 311.429 2.816 20 0 DFADMP C=Cn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367959015 429753832 /nfs/dbraw/zinc/75/38/32/429753832.db2.gz FONIRTWBCYMFJM-UXHICEINSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367959015 429753835 /nfs/dbraw/zinc/75/38/35/429753835.db2.gz FONIRTWBCYMFJM-UXHICEINSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367959015 429753838 /nfs/dbraw/zinc/75/38/38/429753838.db2.gz FONIRTWBCYMFJM-UXHICEINSA-N 2 1 322.456 2.938 20 0 DFADMP C=Cn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000367959015 429753843 /nfs/dbraw/zinc/75/38/43/429753843.db2.gz FONIRTWBCYMFJM-UXHICEINSA-N 2 1 322.456 2.938 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1CCCCC1(F)F)CC[NH+](C)C ZINC000451041419 429754292 /nfs/dbraw/zinc/75/42/92/429754292.db2.gz NNCCLWNRMXQFNC-HNNXBMFYSA-N 2 1 305.457 2.627 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000451070360 429761136 /nfs/dbraw/zinc/76/11/36/429761136.db2.gz OLYJJJJCVTVPDI-NEWSRXKRSA-N 2 1 302.462 2.569 20 0 DFADMP CC(C)c1ncc2c(n1)CC[N@@H+](Cc1cccc3nccn31)C2 ZINC000527617714 429766625 /nfs/dbraw/zinc/76/66/25/429766625.db2.gz FBSLBMBIACKZHY-UHFFFAOYSA-N 2 1 307.401 2.806 20 0 DFADMP CC(C)c1ncc2c(n1)CC[N@H+](Cc1cccc3nccn31)C2 ZINC000527617714 429766627 /nfs/dbraw/zinc/76/66/27/429766627.db2.gz FBSLBMBIACKZHY-UHFFFAOYSA-N 2 1 307.401 2.806 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000431729387 429779979 /nfs/dbraw/zinc/77/99/79/429779979.db2.gz COWXTYWRRDFNFC-MRXNPFEDSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H]1CCC[N@@H+](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000431749388 429780438 /nfs/dbraw/zinc/78/04/38/429780438.db2.gz KVAHYJPDPSOMTO-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[NH+](CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000431749388 429780442 /nfs/dbraw/zinc/78/04/42/429780442.db2.gz KVAHYJPDPSOMTO-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000431749388 429780446 /nfs/dbraw/zinc/78/04/46/429780446.db2.gz KVAHYJPDPSOMTO-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[N@@H+](CCNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748857 429781622 /nfs/dbraw/zinc/78/16/22/429781622.db2.gz JCLJPVOXPJZHNC-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP COc1cccc(C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C2CC2)c1 ZINC000368103683 429788190 /nfs/dbraw/zinc/78/81/90/429788190.db2.gz XXDCHNMAAJXODD-CRAIPNDOSA-N 2 1 311.429 2.887 20 0 DFADMP c1cn(CCC[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000368130992 429793274 /nfs/dbraw/zinc/79/32/74/429793274.db2.gz IEXDMDBXHOALSG-WOJBJXKFSA-N 3 1 324.472 2.727 20 0 DFADMP c1cn(CCC[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000368130992 429793278 /nfs/dbraw/zinc/79/32/78/429793278.db2.gz IEXDMDBXHOALSG-WOJBJXKFSA-N 3 1 324.472 2.727 20 0 DFADMP c1cn(CCC[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cn1 ZINC000368130992 429793280 /nfs/dbraw/zinc/79/32/80/429793280.db2.gz IEXDMDBXHOALSG-WOJBJXKFSA-N 3 1 324.472 2.727 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@H]2C[C@@H]2c2ccccc2)CCCO1 ZINC000432346351 429815622 /nfs/dbraw/zinc/81/56/22/429815622.db2.gz LGQDKPXZUDRSST-BHIYHBOVSA-N 2 1 302.462 2.881 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)OC)c1 ZINC000527930784 429822794 /nfs/dbraw/zinc/82/27/94/429822794.db2.gz WAHDOBHUHICMNW-YRXWBPOGSA-N 2 1 318.461 2.845 20 0 DFADMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000432425664 429823725 /nfs/dbraw/zinc/82/37/25/429823725.db2.gz WKFJCIHCSUOYGI-HUUCEWRRSA-N 2 1 322.497 2.671 20 0 DFADMP CCn1nc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC000432425664 429823728 /nfs/dbraw/zinc/82/37/28/429823728.db2.gz WKFJCIHCSUOYGI-HUUCEWRRSA-N 2 1 322.497 2.671 20 0 DFADMP OC1CC(CC[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000432427589 429824104 /nfs/dbraw/zinc/82/41/04/429824104.db2.gz ZRIKDVOSAJIWDT-KMMPOOCJSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC12CC(C1)CO2 ZINC000527976289 429829970 /nfs/dbraw/zinc/82/99/70/429829970.db2.gz DJKVKUAKERHXGE-BARLLCKDSA-N 2 1 300.446 2.666 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CC45CC(C4)CO5)[C@@H]3C2)cc1 ZINC000527982103 429830832 /nfs/dbraw/zinc/83/08/32/429830832.db2.gz QLNPWSLBZAAEJN-YJGITHLRSA-N 2 1 312.457 2.666 20 0 DFADMP CCOC[C@H]1CCN(Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000368344755 429834981 /nfs/dbraw/zinc/83/49/81/429834981.db2.gz NFZPRLKOJUVPNO-AWEZNQCLSA-N 2 1 323.506 2.768 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2CC(O)C2)CC1 ZINC000528019860 429837683 /nfs/dbraw/zinc/83/76/83/429837683.db2.gz UOSYZCDDHJPCNN-UHFFFAOYSA-N 2 1 302.462 2.790 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528024951 429839107 /nfs/dbraw/zinc/83/91/07/429839107.db2.gz FHZXYLLGRRPMSX-UFYCRDLUSA-N 2 1 314.473 2.913 20 0 DFADMP C[N@H+](CC1(C)CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000432807967 429843133 /nfs/dbraw/zinc/84/31/33/429843133.db2.gz YSQRNBZUDYMYGN-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](CC1(C)CCC1)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000432807967 429843139 /nfs/dbraw/zinc/84/31/39/429843139.db2.gz YSQRNBZUDYMYGN-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CC1(C)CCC1)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000432807967 429843142 /nfs/dbraw/zinc/84/31/42/429843142.db2.gz YSQRNBZUDYMYGN-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CC1(C)CCC1)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000432807967 429843145 /nfs/dbraw/zinc/84/31/45/429843145.db2.gz YSQRNBZUDYMYGN-LJQANCHMSA-N 2 1 302.462 2.745 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)c2O1 ZINC000368432081 429848294 /nfs/dbraw/zinc/84/82/94/429848294.db2.gz IGKJOVAKIALBPJ-AWEZNQCLSA-N 2 1 311.429 2.949 20 0 DFADMP c1ccc(COC2CC([NH2+]C[C@H]3CC[N@H+](C4CC4)C3)C2)cc1 ZINC000493909830 429848923 /nfs/dbraw/zinc/84/89/23/429848923.db2.gz XRRTVENIYXMQLF-LRYGQEGESA-N 2 1 300.446 2.808 20 0 DFADMP COCC(C)(C)C[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000494371779 429869480 /nfs/dbraw/zinc/86/94/80/429869480.db2.gz UALAAYWPQZTORC-INIZCTEOSA-N 2 1 320.477 2.670 20 0 DFADMP COCC(C)(C)C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000494371779 429869482 /nfs/dbraw/zinc/86/94/82/429869482.db2.gz UALAAYWPQZTORC-INIZCTEOSA-N 2 1 320.477 2.670 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCCC1CCOCC1 ZINC000368492625 429858030 /nfs/dbraw/zinc/85/80/30/429858030.db2.gz CYUADWLVFJYELE-BHIYHBOVSA-N 2 1 324.509 2.672 20 0 DFADMP CC(C)n1cc(CNC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)nn1 ZINC000368559255 429866516 /nfs/dbraw/zinc/86/65/16/429866516.db2.gz ZOANBQUNTCWTAX-WMZOPIPTSA-N 2 1 313.449 2.642 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OC(F)F ZINC000368843153 429898159 /nfs/dbraw/zinc/89/81/59/429898159.db2.gz CLSDQCRASMYPOR-LBPRGKRZSA-N 2 1 323.343 2.598 20 0 DFADMP Cc1c[nH+]cn1CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000528871150 429927413 /nfs/dbraw/zinc/92/74/13/429927413.db2.gz RCJYKCYKSPTWCX-UHFFFAOYSA-N 2 1 312.417 2.802 20 0 DFADMP Cc1c[nH+]cn1CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000528871150 429927417 /nfs/dbraw/zinc/92/74/17/429927417.db2.gz RCJYKCYKSPTWCX-UHFFFAOYSA-N 2 1 312.417 2.802 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1n1ccnc1 ZINC000369484530 429954708 /nfs/dbraw/zinc/95/47/08/429954708.db2.gz NIFPGWFLGWYPQE-CJNGLKHVSA-N 2 1 311.389 2.949 20 0 DFADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573476591 429955891 /nfs/dbraw/zinc/95/58/91/429955891.db2.gz UTVZSIKZFDZQKC-VQTJNVASSA-N 2 1 318.505 2.938 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000558348674 429967621 /nfs/dbraw/zinc/96/76/21/429967621.db2.gz CMJKTDNYNVWJEK-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP Clc1ccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)nc1 ZINC000558406399 429970106 /nfs/dbraw/zinc/97/01/06/429970106.db2.gz GRYUQOLOVOSVAE-UHFFFAOYSA-N 2 1 323.868 2.812 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757663 429970169 /nfs/dbraw/zinc/97/01/69/429970169.db2.gz LGLMHJXSRMVJOV-UHFFFAOYSA-N 2 1 315.461 2.660 20 0 DFADMP CN(CCC[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000639756517 429970905 /nfs/dbraw/zinc/97/09/05/429970905.db2.gz WKDQKVVUJOAYPM-UHFFFAOYSA-N 2 1 301.478 2.931 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cnn(-c4ccccc4)c3)C2)CC1 ZINC000639760676 429972770 /nfs/dbraw/zinc/97/27/70/429972770.db2.gz ZPFJWADOGQPWMS-UHFFFAOYSA-N 2 1 310.445 2.790 20 0 DFADMP CCN(C(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2)C1CCCCC1 ZINC000639760845 429972869 /nfs/dbraw/zinc/97/28/69/429972869.db2.gz BIBHRECICFRTIU-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP CC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)OCCc2ccccc21 ZINC000558500702 429975285 /nfs/dbraw/zinc/97/52/85/429975285.db2.gz JTUSYJUWPVWSFE-AYOQOUSVSA-N 2 1 302.462 2.794 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCCC2)c1)[NH+]1CC(C)C1 ZINC000557519511 429942664 /nfs/dbraw/zinc/94/26/64/429942664.db2.gz NXYWNLKPCWXLBJ-INIZCTEOSA-N 2 1 315.461 2.951 20 0 DFADMP Cn1c2ccccc2nc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704171 429953800 /nfs/dbraw/zinc/95/38/00/429953800.db2.gz OXGWEPHWTVUISN-UHFFFAOYSA-N 2 1 321.428 2.681 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639704171 429953801 /nfs/dbraw/zinc/95/38/01/429953801.db2.gz OXGWEPHWTVUISN-UHFFFAOYSA-N 2 1 321.428 2.681 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@@H]21 ZINC000574277289 430027850 /nfs/dbraw/zinc/02/78/50/430027850.db2.gz OHKRUMVPEJNLOB-FGTMMUONSA-N 2 1 308.429 2.703 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccncc1Cl ZINC000529566699 430031913 /nfs/dbraw/zinc/03/19/13/430031913.db2.gz FRRBWHHNZXJANS-INIZCTEOSA-N 2 1 324.900 2.583 20 0 DFADMP COCC[N@@H+](C)CC[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000574415134 430040239 /nfs/dbraw/zinc/04/02/39/430040239.db2.gz SYQLFIOYRAXBRH-FHWLQOOXSA-N 2 1 319.493 2.556 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)n1 ZINC000639868535 430004465 /nfs/dbraw/zinc/00/44/65/430004465.db2.gz VFASQXJKBAVGFQ-QGZVFWFLSA-N 2 1 305.466 2.549 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c(C)n1 ZINC000639868535 430004469 /nfs/dbraw/zinc/00/44/69/430004469.db2.gz VFASQXJKBAVGFQ-QGZVFWFLSA-N 2 1 305.466 2.549 20 0 DFADMP OCC1([C@@H]([NH2+]CCC[NH+]2CCCCC2)c2ccncc2)CCC1 ZINC000639880940 430007818 /nfs/dbraw/zinc/00/78/18/430007818.db2.gz YVDCUWCKQGLLEJ-SFHVURJKSA-N 2 1 317.477 2.751 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639920671 430023123 /nfs/dbraw/zinc/02/31/23/430023123.db2.gz ZBGCSZWWMYVXTO-CJNGLKHVSA-N 2 1 314.832 2.977 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639920671 430023128 /nfs/dbraw/zinc/02/31/28/430023128.db2.gz ZBGCSZWWMYVXTO-CJNGLKHVSA-N 2 1 314.832 2.977 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCC3(F)F)C2)CC1 ZINC000560218243 430027051 /nfs/dbraw/zinc/02/70/51/430027051.db2.gz PQPQVWHGKVRGHH-JKSUJKDBSA-N 2 1 315.452 2.522 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H]2CCCC[C@@H]12 ZINC000640098791 430088001 /nfs/dbraw/zinc/08/80/01/430088001.db2.gz PPIHIGYYUQMFDG-GUDVDZBRSA-N 2 1 311.429 2.998 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000634734074 430093368 /nfs/dbraw/zinc/09/33/68/430093368.db2.gz WECLZCAXNMWFEO-SQNIBIBYSA-N 2 1 301.478 2.848 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@H+](C(C)C)C1)C2 ZINC000561976899 430103385 /nfs/dbraw/zinc/10/33/85/430103385.db2.gz VVDHWBYHCRHFFB-WBVHZDCISA-N 2 1 302.462 2.872 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)c1ccc(F)cc1 ZINC000530221072 430106174 /nfs/dbraw/zinc/10/61/74/430106174.db2.gz CEKRZFYPQNGJBE-RYQLBKOJSA-N 2 1 306.425 2.977 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2ncccc2Cl)C1 ZINC000530221540 430106386 /nfs/dbraw/zinc/10/63/86/430106386.db2.gz GFEGWVNPIPSIOX-DAXOMENPSA-N 2 1 309.841 2.596 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000562090826 430108601 /nfs/dbraw/zinc/10/86/01/430108601.db2.gz VYHNHTRAXMCMSV-IXDOHACOSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+][C@H]1C[C@@H](OCC)C12CCOCC2 ZINC000562090826 430108603 /nfs/dbraw/zinc/10/86/03/430108603.db2.gz VYHNHTRAXMCMSV-IXDOHACOSA-N 2 1 312.498 2.671 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCc2ccc3c(c2)CCO3)CC1 ZINC000640017725 430055952 /nfs/dbraw/zinc/05/59/52/430055952.db2.gz KNAJYZTXRNPREF-UHFFFAOYSA-N 2 1 302.462 2.970 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000560583454 430057009 /nfs/dbraw/zinc/05/70/09/430057009.db2.gz YHWMLOPSDHAVDZ-ULQDDVLXSA-N 2 1 304.482 2.910 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000560583454 430057012 /nfs/dbraw/zinc/05/70/12/430057012.db2.gz YHWMLOPSDHAVDZ-ULQDDVLXSA-N 2 1 304.482 2.910 20 0 DFADMP O[C@]1(C[NH2+][C@H]2C[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643555 430062609 /nfs/dbraw/zinc/06/26/09/430062609.db2.gz DRBXLUMTVMLBFA-HKBOAZHASA-N 2 1 322.452 2.769 20 0 DFADMP O[C@]1(C[NH2+][C@H]2C[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643555 430062615 /nfs/dbraw/zinc/06/26/15/430062615.db2.gz DRBXLUMTVMLBFA-HKBOAZHASA-N 2 1 322.452 2.769 20 0 DFADMP C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561228921 430082622 /nfs/dbraw/zinc/08/26/22/430082622.db2.gz FZLMMGJYJNYBMW-WMZOPIPTSA-N 2 1 321.509 2.726 20 0 DFADMP O[C@]1(C[NH2+]CC2=CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715455 430087214 /nfs/dbraw/zinc/08/72/14/430087214.db2.gz CXMVQGWHNDMZMY-IBGZPJMESA-N 2 1 300.446 2.713 20 0 DFADMP O[C@]1(C[NH2+]CC2=CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715455 430087217 /nfs/dbraw/zinc/08/72/17/430087217.db2.gz CXMVQGWHNDMZMY-IBGZPJMESA-N 2 1 300.446 2.713 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H]2CCCC[C@H]12 ZINC000640098792 430087207 /nfs/dbraw/zinc/08/72/07/430087207.db2.gz PPIHIGYYUQMFDG-IPMKNSEASA-N 2 1 311.429 2.998 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000562748204 430175958 /nfs/dbraw/zinc/17/59/58/430175958.db2.gz ZLZWJCSSVRVLAW-HBUWYVDXSA-N 2 1 300.450 2.801 20 0 DFADMP CN(Cc1nc(C(C)(C)N)no1)[C@@H]1CCCc2ccccc21 ZINC000580552043 430134430 /nfs/dbraw/zinc/13/44/30/430134430.db2.gz LYBKKGIPOBTQEA-CQSZACIVSA-N 2 1 300.406 2.773 20 0 DFADMP Cn1cncc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580551499 430134503 /nfs/dbraw/zinc/13/45/03/430134503.db2.gz PTXWVWZKUDQGDE-SFHVURJKSA-N 3 1 324.472 2.749 20 0 DFADMP Cn1cncc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000580551499 430134507 /nfs/dbraw/zinc/13/45/07/430134507.db2.gz PTXWVWZKUDQGDE-SFHVURJKSA-N 3 1 324.472 2.749 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000580702061 430145331 /nfs/dbraw/zinc/14/53/31/430145331.db2.gz VVNRIMOUAKWSEL-CABCVRRESA-N 2 1 315.461 2.954 20 0 DFADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563364719 430184048 /nfs/dbraw/zinc/18/40/48/430184048.db2.gz JFKCWQRSMOBFOK-HUUCEWRRSA-N 2 1 321.465 2.795 20 0 DFADMP C[C@@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000563364719 430184051 /nfs/dbraw/zinc/18/40/51/430184051.db2.gz JFKCWQRSMOBFOK-HUUCEWRRSA-N 2 1 321.465 2.795 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCN1CCCc3ccccc31)CC2 ZINC000371689922 277042214 /nfs/dbraw/zinc/04/22/14/277042214.db2.gz TZOFEGWCFZGLEM-UHFFFAOYSA-N 2 1 313.489 2.999 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCN1CCCc3ccccc31)CC2 ZINC000371689922 277042217 /nfs/dbraw/zinc/04/22/17/277042217.db2.gz TZOFEGWCFZGLEM-UHFFFAOYSA-N 2 1 313.489 2.999 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000128568154 277051611 /nfs/dbraw/zinc/05/16/11/277051611.db2.gz DMNOFFYZULOQQY-LJQANCHMSA-N 2 1 301.478 2.681 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322556 277060338 /nfs/dbraw/zinc/06/03/38/277060338.db2.gz ZTQNLSBTTQSAGD-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322556 277060339 /nfs/dbraw/zinc/06/03/39/277060339.db2.gz ZTQNLSBTTQSAGD-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](C(=O)N2CCCCCC2)C1 ZINC000371322556 277060341 /nfs/dbraw/zinc/06/03/41/277060341.db2.gz ZTQNLSBTTQSAGD-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285965784 277061852 /nfs/dbraw/zinc/06/18/52/277061852.db2.gz NHMZVRORXZWFRX-WTGUMLROSA-N 2 1 314.473 2.975 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285965784 277061853 /nfs/dbraw/zinc/06/18/53/277061853.db2.gz NHMZVRORXZWFRX-WTGUMLROSA-N 2 1 314.473 2.975 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@@H]21 ZINC000285965784 277061854 /nfs/dbraw/zinc/06/18/54/277061854.db2.gz NHMZVRORXZWFRX-WTGUMLROSA-N 2 1 314.473 2.975 20 0 DFADMP CC[N@@H+](CCC1CCN(CC23CC(C2)C[NH2+]3)CC1)CC1CC1 ZINC000634995032 430187696 /nfs/dbraw/zinc/18/76/96/430187696.db2.gz SNGSCKYEIKGURW-UHFFFAOYSA-N 2 1 305.510 2.572 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CNCC12CC(C1)C[NH2+]2 ZINC000634995369 430187728 /nfs/dbraw/zinc/18/77/28/430187728.db2.gz BXYNJERGVKBYEW-VXESANQCSA-N 2 1 313.489 2.903 20 0 DFADMP CCCOc1c(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cccc1OCC ZINC000635000443 430188508 /nfs/dbraw/zinc/18/85/08/430188508.db2.gz OKGWZOISWOPYQJ-GDBMZVCRSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCc2ccccn2)C[C@H]1C[NH3+] ZINC000634998615 430188794 /nfs/dbraw/zinc/18/87/94/430188794.db2.gz IMHRKBKFJCFKKR-NVXWUHKLSA-N 2 1 311.429 2.687 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000368260273 277107337 /nfs/dbraw/zinc/10/73/37/277107337.db2.gz IXIRMPQOPYOJQR-IHPCNDPISA-N 2 1 313.489 2.502 20 0 DFADMP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)[C@@H]1CCC[NH2+]C1 ZINC000634997990 430189527 /nfs/dbraw/zinc/18/95/27/430189527.db2.gz XYGUBNXQQSGIFE-NORZTCDRSA-N 2 1 314.832 2.880 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCc2cccnc2)C[C@@H]1C[NH3+] ZINC000634999059 430189824 /nfs/dbraw/zinc/18/98/24/430189824.db2.gz PGKGGIGBCUEFJI-YJBOKZPZSA-N 2 1 311.429 2.687 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)N1CCCCC1 ZINC000640531927 430191211 /nfs/dbraw/zinc/19/12/11/430191211.db2.gz STYNMHHEWSUYRY-UHFFFAOYSA-N 2 1 309.498 2.587 20 0 DFADMP C[N@H+](CCCC[NH+]1CCCCC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000640533209 430192252 /nfs/dbraw/zinc/19/22/52/430192252.db2.gz PCUCPNJFJWMYNW-KRWDZBQOSA-N 2 1 321.440 2.550 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@H](C(N)=O)c1ccc(F)cc1 ZINC000640533209 430192254 /nfs/dbraw/zinc/19/22/54/430192254.db2.gz PCUCPNJFJWMYNW-KRWDZBQOSA-N 2 1 321.440 2.550 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000635004612 430193953 /nfs/dbraw/zinc/19/39/53/430193953.db2.gz PVSBKVMHAZPYTN-YQVWRLOYSA-N 3 1 303.494 2.862 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000635004612 430193955 /nfs/dbraw/zinc/19/39/55/430193955.db2.gz PVSBKVMHAZPYTN-YQVWRLOYSA-N 2 1 303.494 2.862 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)c1 ZINC000640626682 430219206 /nfs/dbraw/zinc/21/92/06/430219206.db2.gz KQOHHCCVQYYTSV-QGZVFWFLSA-N 2 1 317.477 2.551 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC ZINC000581575141 430222055 /nfs/dbraw/zinc/22/20/55/430222055.db2.gz DFAFNMGMKLNLBC-DOTOQJQBSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1OC ZINC000581575141 430222057 /nfs/dbraw/zinc/22/20/57/430222057.db2.gz DFAFNMGMKLNLBC-DOTOQJQBSA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1OC ZINC000581575141 430222060 /nfs/dbraw/zinc/22/20/60/430222060.db2.gz DFAFNMGMKLNLBC-DOTOQJQBSA-N 2 1 318.461 2.928 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)NC[C@@H](c1cccc(Cl)c1)[NH+]1CCCC1 ZINC000638063405 430223201 /nfs/dbraw/zinc/22/32/01/430223201.db2.gz DSXAESMPUBZMHD-BBRMVZONSA-N 2 1 323.868 2.591 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=CC[C@H]([NH3+])C3)cc2)C1 ZINC000638063612 430224157 /nfs/dbraw/zinc/22/41/57/430224157.db2.gz NMSFKYWVWHSENP-YOEHRIQHSA-N 2 1 313.445 2.905 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353617565 277397122 /nfs/dbraw/zinc/39/71/22/277397122.db2.gz DJQLTAUHOVRZMF-FCGDIQPGSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353617565 277397124 /nfs/dbraw/zinc/39/71/24/277397124.db2.gz DJQLTAUHOVRZMF-FCGDIQPGSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353617565 277397126 /nfs/dbraw/zinc/39/71/26/277397126.db2.gz DJQLTAUHOVRZMF-FCGDIQPGSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353617565 277397128 /nfs/dbraw/zinc/39/71/28/277397128.db2.gz DJQLTAUHOVRZMF-FCGDIQPGSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353617565 277397129 /nfs/dbraw/zinc/39/71/29/277397129.db2.gz DJQLTAUHOVRZMF-FCGDIQPGSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353617565 277397130 /nfs/dbraw/zinc/39/71/30/277397130.db2.gz DJQLTAUHOVRZMF-FCGDIQPGSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)C1 ZINC000353617565 277397132 /nfs/dbraw/zinc/39/71/32/277397132.db2.gz DJQLTAUHOVRZMF-FCGDIQPGSA-N 3 1 307.526 2.817 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CC[C@@]3(C2)CCC[NH+](C)C3)c1 ZINC000581486160 430213325 /nfs/dbraw/zinc/21/33/25/430213325.db2.gz YLERDUHIVVWRNX-NAASZUNDSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CC[C@@]3(C2)CCC[N@H+](C)C3)c1 ZINC000581486160 430213328 /nfs/dbraw/zinc/21/33/28/430213328.db2.gz YLERDUHIVVWRNX-NAASZUNDSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C/CC[NH+]2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1 ZINC000581486160 430213331 /nfs/dbraw/zinc/21/33/31/430213331.db2.gz YLERDUHIVVWRNX-NAASZUNDSA-N 2 1 315.461 2.911 20 0 DFADMP C[N@@H+](CC(=O)Nc1ccc(-c2c[nH]cn2)cc1)CC(C)(C)C ZINC000635135296 430216058 /nfs/dbraw/zinc/21/60/58/430216058.db2.gz CGLPNNRRRUEHHZ-UHFFFAOYSA-N 2 1 300.406 2.993 20 0 DFADMP CN(CC(=O)Nc1ccc(-c2c[nH]cn2)cc1)CC(C)(C)C ZINC000635135296 430216062 /nfs/dbraw/zinc/21/60/62/430216062.db2.gz CGLPNNRRRUEHHZ-UHFFFAOYSA-N 2 1 300.406 2.993 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000638116171 430241571 /nfs/dbraw/zinc/24/15/71/430241571.db2.gz HKUPFUCCDZWMTJ-AOIWGVFYSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000638116171 430241576 /nfs/dbraw/zinc/24/15/76/430241576.db2.gz HKUPFUCCDZWMTJ-AOIWGVFYSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)CC[NH+]1C ZINC000638116171 430241581 /nfs/dbraw/zinc/24/15/81/430241581.db2.gz HKUPFUCCDZWMTJ-AOIWGVFYSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)CC[NH+]1C ZINC000638116171 430241584 /nfs/dbraw/zinc/24/15/84/430241584.db2.gz HKUPFUCCDZWMTJ-AOIWGVFYSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000566092532 430241636 /nfs/dbraw/zinc/24/16/36/430241636.db2.gz JRPLPCPDLCMNFJ-YVEFUNNKSA-N 2 1 301.434 2.739 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCN(c3ccccc3)C2)CC[N@@H+]1C ZINC000638116174 430241784 /nfs/dbraw/zinc/24/17/84/430241784.db2.gz HKUPFUCCDZWMTJ-ZIFCJYIRSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@@H]2CCN(c3ccccc3)C2)CC[N@H+]1C ZINC000638116174 430241790 /nfs/dbraw/zinc/24/17/90/430241790.db2.gz HKUPFUCCDZWMTJ-ZIFCJYIRSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)CC[NH+]1C ZINC000638116174 430241793 /nfs/dbraw/zinc/24/17/93/430241793.db2.gz HKUPFUCCDZWMTJ-ZIFCJYIRSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)CC[NH+]1C ZINC000638116174 430241795 /nfs/dbraw/zinc/24/17/95/430241795.db2.gz HKUPFUCCDZWMTJ-ZIFCJYIRSA-N 2 1 301.478 2.927 20 0 DFADMP C[C@H](C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C)[NH+](C)C ZINC000635324765 430254795 /nfs/dbraw/zinc/25/47/95/430254795.db2.gz JQAMLDNEZBQDHF-HZPDHXFCSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)C[NH+](C)CC(C)(C)C ZINC000635323838 430256028 /nfs/dbraw/zinc/25/60/28/430256028.db2.gz DMZHTMMGHMIRKF-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[N@H+](C)CC(C)(C)C ZINC000635323838 430256031 /nfs/dbraw/zinc/25/60/31/430256031.db2.gz DMZHTMMGHMIRKF-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000635323838 430256037 /nfs/dbraw/zinc/25/60/37/430256037.db2.gz DMZHTMMGHMIRKF-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)Cn1cc[nH+]c1C(C)C ZINC000635399102 430268471 /nfs/dbraw/zinc/26/84/71/430268471.db2.gz GWQALFUIMWUKQQ-HNNXBMFYSA-N 2 1 308.470 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NC[C@@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000635407489 430270714 /nfs/dbraw/zinc/27/07/14/430270714.db2.gz ZEMKDXXXUZVATI-CRAIPNDOSA-N 2 1 320.481 2.633 20 0 DFADMP Fc1cc(C[NH2+]CCC[NH+]2CCC2)ccc1OCC(F)(F)F ZINC000566924000 430274917 /nfs/dbraw/zinc/27/49/17/430274917.db2.gz LIBAOWIJNXCROV-UHFFFAOYSA-N 2 1 320.330 2.952 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+]2C2CCCC2)CC1 ZINC000635425758 430276713 /nfs/dbraw/zinc/27/67/13/430276713.db2.gz OHGWVJXTVFOWAE-SFHVURJKSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)CC1 ZINC000635425758 430276717 /nfs/dbraw/zinc/27/67/17/430276717.db2.gz OHGWVJXTVFOWAE-SFHVURJKSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+](C)CC1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635425758 430276722 /nfs/dbraw/zinc/27/67/22/430276722.db2.gz OHGWVJXTVFOWAE-SFHVURJKSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+](CC)CC1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635448641 430281703 /nfs/dbraw/zinc/28/17/03/430281703.db2.gz WYRKHPJWZXNAEG-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@@H](C[NH+](C)C)C1)CC2 ZINC000638076046 430227673 /nfs/dbraw/zinc/22/76/73/430227673.db2.gz IJMZGHFDCCJQML-BBRMVZONSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@@H](C[NH+](C)C)C1)CC2 ZINC000638076046 430227675 /nfs/dbraw/zinc/22/76/75/430227675.db2.gz IJMZGHFDCCJQML-BBRMVZONSA-N 2 1 304.434 2.575 20 0 DFADMP C[C@@H](O)CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000542834676 430228024 /nfs/dbraw/zinc/22/80/24/430228024.db2.gz SJVOZGCFDJLRJE-OQIJWPOYSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@@H+](CCC3=CCCCC3)C2)CC1 ZINC000581707562 430234545 /nfs/dbraw/zinc/23/45/45/430234545.db2.gz YQQZRSCKKXZXFZ-IBGZPJMESA-N 2 1 305.510 2.977 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c3c(nn2C)CCCC3)C[C@H]1C ZINC000638109771 430236682 /nfs/dbraw/zinc/23/66/82/430236682.db2.gz GRCYYOWTQVPMBZ-CABCVRRESA-N 2 1 304.482 2.604 20 0 DFADMP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC000635474684 430288886 /nfs/dbraw/zinc/28/88/86/430288886.db2.gz XXDQWFGQNCSYHA-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC000635474684 430288891 /nfs/dbraw/zinc/28/88/91/430288891.db2.gz XXDQWFGQNCSYHA-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC000635474685 430289054 /nfs/dbraw/zinc/28/90/54/430289054.db2.gz XXDQWFGQNCSYHA-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)Cn1cc[nH+]c1C(C)C ZINC000635474685 430289060 /nfs/dbraw/zinc/28/90/60/430289060.db2.gz XXDQWFGQNCSYHA-MRXNPFEDSA-N 2 1 320.481 2.777 20 0 DFADMP C[C@@H]([NH2+]C(C)(C)CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccccc1 ZINC000635493974 430291471 /nfs/dbraw/zinc/29/14/71/430291471.db2.gz GAAFZKDAEOQPIM-CVEARBPZSA-N 2 1 317.477 2.574 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000638305438 430299277 /nfs/dbraw/zinc/29/92/77/430299277.db2.gz XLKHNHNHIZADCL-PBHICJAKSA-N 2 1 306.475 2.502 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638302680 430299770 /nfs/dbraw/zinc/29/97/70/430299770.db2.gz KWOYSOWWCRLULH-WNRNVDISSA-N 2 1 310.482 2.567 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000567985721 430302306 /nfs/dbraw/zinc/30/23/06/430302306.db2.gz NZAGQLHWUKOTGC-JKSUJKDBSA-N 2 1 309.498 2.535 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@H]2C)[C@]12CCCO2 ZINC000638365458 430319079 /nfs/dbraw/zinc/31/90/79/430319079.db2.gz DGBPGHOIYXVYJH-NCXUSEDFSA-N 2 1 324.509 2.957 20 0 DFADMP CCc1ccc([C@@H]2C[C@H](C)CCN2C[C@H](O)C[N@H+](C)CC)o1 ZINC000568164075 430322428 /nfs/dbraw/zinc/32/24/28/430322428.db2.gz IMQYYUAJBUCKFR-INMHGKMJSA-N 2 1 308.466 2.928 20 0 DFADMP CN(C(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1)C(C)(C)C ZINC000638379289 430323789 /nfs/dbraw/zinc/32/37/89/430323789.db2.gz ZNBZFCLETIPVCS-UHFFFAOYSA-N 2 1 317.477 2.627 20 0 DFADMP Cc1ncc(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)n1C ZINC000568269285 430342908 /nfs/dbraw/zinc/34/29/08/430342908.db2.gz GLPZHPYXTARBEO-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000638447232 430344821 /nfs/dbraw/zinc/34/48/21/430344821.db2.gz HXWRDRVCDQQWHM-WMLDXEAASA-N 2 1 308.491 2.975 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000638447232 430344824 /nfs/dbraw/zinc/34/48/24/430344824.db2.gz HXWRDRVCDQQWHM-WMLDXEAASA-N 2 1 308.491 2.975 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H](OC(C)C)c2ccccc2)CC1 ZINC000638443267 430345077 /nfs/dbraw/zinc/34/50/77/430345077.db2.gz ILNNIOWOSQWPER-LJQANCHMSA-N 2 1 320.477 2.853 20 0 DFADMP CC[C@H](C)[C@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)OC ZINC000638724793 430418584 /nfs/dbraw/zinc/41/85/84/430418584.db2.gz BJLHMIIJEBQBSG-RDJZCZTQSA-N 2 1 300.487 2.527 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638700679 430412494 /nfs/dbraw/zinc/41/24/94/430412494.db2.gz UJUUERKTMQXGAB-SUMDDJOVSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638700679 430412498 /nfs/dbraw/zinc/41/24/98/430412498.db2.gz UJUUERKTMQXGAB-SUMDDJOVSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H](CC[NH2+]Cc1c[nH]c2ncncc12)[N@@H+](C)Cc1ccccc1 ZINC000638726913 430418628 /nfs/dbraw/zinc/41/86/28/430418628.db2.gz WYYZULJLKJCXGT-OAHLLOKOSA-N 2 1 323.444 2.910 20 0 DFADMP CCn1cncc1[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC000635937842 430415541 /nfs/dbraw/zinc/41/55/41/430415541.db2.gz KHKYGPQELVQJRW-HNNXBMFYSA-N 2 1 320.481 2.935 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(O[C@H]2CCOC2)c1 ZINC000583018723 430355827 /nfs/dbraw/zinc/35/58/27/430355827.db2.gz JXNFQMVRULRSHJ-RCCFBDPRSA-N 2 1 318.461 2.912 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[C@H]3CC[NH+](C)C3)c2C1 ZINC000635717302 430358606 /nfs/dbraw/zinc/35/86/06/430358606.db2.gz NCRFEPITBVFETD-OAHLLOKOSA-N 2 1 315.461 2.939 20 0 DFADMP OCc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000638521830 430366938 /nfs/dbraw/zinc/36/69/38/430366938.db2.gz QEZXNPXHTSLRCA-NRFANRHFSA-N 2 1 324.468 2.833 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638722451 430417366 /nfs/dbraw/zinc/41/73/66/430417366.db2.gz QXJSOWDSRDOCLS-AEFFLSMTSA-N 2 1 300.446 2.717 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000638722451 430417369 /nfs/dbraw/zinc/41/73/69/430417369.db2.gz QXJSOWDSRDOCLS-AEFFLSMTSA-N 2 1 300.446 2.717 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000568618665 430375480 /nfs/dbraw/zinc/37/54/80/430375480.db2.gz OKXBVZGTCJJOBA-JYJNAYRXSA-N 2 1 307.507 2.863 20 0 DFADMP CSc1ccc([C@H](CN[C@H](C)[C@H]2CCC[NH2+]C2)[NH+](C)C)cc1 ZINC000583257277 430377870 /nfs/dbraw/zinc/37/78/70/430377870.db2.gz XBOCADYFXPHYIV-HFTRVMKXSA-N 2 1 321.534 2.989 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000583278819 430380539 /nfs/dbraw/zinc/38/05/39/430380539.db2.gz JGQCDHNAYPULKV-YVSFHVDLSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@@H](C)C1 ZINC000583278819 430380542 /nfs/dbraw/zinc/38/05/42/430380542.db2.gz JGQCDHNAYPULKV-YVSFHVDLSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638606983 430387446 /nfs/dbraw/zinc/38/74/46/430387446.db2.gz BOPMDSMHXCDHHS-QXAKKESOSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638606983 430387449 /nfs/dbraw/zinc/38/74/49/430387449.db2.gz BOPMDSMHXCDHHS-QXAKKESOSA-N 2 1 302.462 2.961 20 0 DFADMP CCn1c2ccccc2nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000568761790 430389381 /nfs/dbraw/zinc/38/93/81/430389381.db2.gz IMKWWMXXXJGOBR-HOTGVXAUSA-N 2 1 312.461 2.878 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000635847322 430392841 /nfs/dbraw/zinc/39/28/41/430392841.db2.gz FSEWYRSUDBLWKB-KRWDZBQOSA-N 2 1 303.450 2.951 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2CCCC[N@H+]2C)cc1 ZINC000635847322 430392846 /nfs/dbraw/zinc/39/28/46/430392846.db2.gz FSEWYRSUDBLWKB-KRWDZBQOSA-N 2 1 303.450 2.951 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]C[C@@](C)(OC)C3CC3)CCCC2)CC1 ZINC000638637926 430395764 /nfs/dbraw/zinc/39/57/64/430395764.db2.gz YORIZLRPJDNMHT-GOSISDBHSA-N 2 1 324.509 2.815 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]CCC3CCOCC3)CCCC2)CC1 ZINC000638637904 430396011 /nfs/dbraw/zinc/39/60/11/430396011.db2.gz XXOMHXMDJKVRSX-UHFFFAOYSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[N@@H+](C)CCCN(C)CC[NH+](C)C)o1 ZINC000583532757 430403001 /nfs/dbraw/zinc/40/30/01/430403001.db2.gz QJORPKWGNJWRLH-WBVHZDCISA-N 2 1 307.482 2.718 20 0 DFADMP COc1cccc(C)c1C[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000638667829 430405539 /nfs/dbraw/zinc/40/55/39/430405539.db2.gz DVUSICQXMMEWJX-INIZCTEOSA-N 2 1 318.461 2.594 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2cccs2)n1 ZINC000568984127 430410891 /nfs/dbraw/zinc/41/08/91/430410891.db2.gz PWWZQOIQLFECOU-KRWDZBQOSA-N 2 1 316.474 2.724 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2cccs2)n1 ZINC000568984127 430410896 /nfs/dbraw/zinc/41/08/96/430410896.db2.gz PWWZQOIQLFECOU-KRWDZBQOSA-N 2 1 316.474 2.724 20 0 DFADMP C[C@H](C(=O)N(C)CCCC[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000641662234 430437138 /nfs/dbraw/zinc/43/71/38/430437138.db2.gz ZVJIKIRUWDTENJ-FGTMMUONSA-N 2 1 323.525 2.972 20 0 DFADMP Cc1cc(NC(=O)C[N@@H+](C)CC(C)(C)C)ccc1C[NH+](C)C ZINC000636021972 430440449 /nfs/dbraw/zinc/44/04/49/430440449.db2.gz UYPVCLFUOSVVBI-UHFFFAOYSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]([N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C(C)(C)C ZINC000548113910 430447744 /nfs/dbraw/zinc/44/77/44/430447744.db2.gz OJPJQCYENZDPIN-WBVHZDCISA-N 2 1 319.493 2.772 20 0 DFADMP Cc1cc(N[C@@H](C)[C@H]2C[N@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153561 430450809 /nfs/dbraw/zinc/45/08/09/430450809.db2.gz AGYBOMPLEZKKKQ-QFBILLFUSA-N 2 1 311.429 2.513 20 0 DFADMP Cc1cc(N[C@@H](C)[C@H]2C[N@@H+](Cc3ccccc3)CCO2)cc[nH+]1 ZINC000548153561 430450812 /nfs/dbraw/zinc/45/08/12/430450812.db2.gz AGYBOMPLEZKKKQ-QFBILLFUSA-N 2 1 311.429 2.513 20 0 DFADMP CSc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)o1 ZINC000641727860 430453250 /nfs/dbraw/zinc/45/32/50/430453250.db2.gz XLFUTESTPYYVOK-OKILXGFUSA-N 2 1 312.479 2.981 20 0 DFADMP C[N@H+]1CCC[C@@H](CNCc2ccncc2N)[C@@H]1c1cccs1 ZINC000641728840 430453806 /nfs/dbraw/zinc/45/38/06/430453806.db2.gz ILARLURPKHGJGL-WMLDXEAASA-N 2 1 316.474 2.898 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)[C@@H]1c1cccs1 ZINC000641728840 430453818 /nfs/dbraw/zinc/45/38/18/430453818.db2.gz ILARLURPKHGJGL-WMLDXEAASA-N 2 1 316.474 2.898 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccncc2N)[C@@H]1c1cccs1 ZINC000641728840 430453822 /nfs/dbraw/zinc/45/38/22/430453822.db2.gz ILARLURPKHGJGL-WMLDXEAASA-N 2 1 316.474 2.898 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1cc(-n2ccnc2)cs1)C1CCCCC1 ZINC000569452049 430455038 /nfs/dbraw/zinc/45/50/38/430455038.db2.gz KJUZUCJTAQEWEX-MRXNPFEDSA-N 2 1 304.463 2.931 20 0 DFADMP Cc1nnsc1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000569488468 430458696 /nfs/dbraw/zinc/45/86/96/430458696.db2.gz AIMWSAQDYGMDPL-INIZCTEOSA-N 2 1 316.474 2.800 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c(-c2cnn(C)c2)c1 ZINC000569484558 430458756 /nfs/dbraw/zinc/45/87/56/430458756.db2.gz ABSOOSGMPJGSSI-HXUWFJFHSA-N 2 1 324.472 2.971 20 0 DFADMP C[C@@H](C[NH2+]Cc1c(C(F)(F)F)nc2n1CCCC2)C[NH+](C)C ZINC000641756751 430464169 /nfs/dbraw/zinc/46/41/69/430464169.db2.gz OTWFDGBXDYTVTO-NSHDSACASA-N 2 1 318.387 2.526 20 0 DFADMP C[NH+](C)C1(CNC(=O)CC[N@H+](C)C2CCCCC2)CCCC1 ZINC000548388726 430469280 /nfs/dbraw/zinc/46/92/80/430469280.db2.gz JPZFMTLBAYBFEJ-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000638895206 430470176 /nfs/dbraw/zinc/47/01/76/430470176.db2.gz SQRNPBHEDIAZSU-QAPCUYQASA-N 2 1 317.477 2.585 20 0 DFADMP Cc1cccc([C@@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1C ZINC000584226601 430470766 /nfs/dbraw/zinc/47/07/66/430470766.db2.gz CANSEQPOZZCMKY-CQSZACIVSA-N 2 1 313.449 2.739 20 0 DFADMP c1cc2c(s1)CCC[C@@H]2[NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1 ZINC000584345955 430474569 /nfs/dbraw/zinc/47/45/69/430474569.db2.gz LFYDTBFONUUVQC-ZDUSSCGKSA-N 2 1 317.462 2.500 20 0 DFADMP Cc1ccc2ccnc(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000584347903 430476304 /nfs/dbraw/zinc/47/63/04/430476304.db2.gz NLRDHXRXMKODOV-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP Cc1ccc2cc[nH+]c(N3CCC([N@H+](C)CCCO)CC3)c2c1 ZINC000584347903 430476307 /nfs/dbraw/zinc/47/63/07/430476307.db2.gz NLRDHXRXMKODOV-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP Cc1ccc2cc[nH+]c(N3CCC([N@@H+](C)CCCO)CC3)c2c1 ZINC000584347903 430476310 /nfs/dbraw/zinc/47/63/10/430476310.db2.gz NLRDHXRXMKODOV-UHFFFAOYSA-N 2 1 313.445 2.826 20 0 DFADMP C[C@@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000641805370 430478479 /nfs/dbraw/zinc/47/84/79/430478479.db2.gz NJFFXNKQOKRGIQ-BAESOJJISA-N 2 1 323.868 2.621 20 0 DFADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1c(Cl)cccc1Cl ZINC000641804619 430478631 /nfs/dbraw/zinc/47/86/31/430478631.db2.gz IUFGADWGEFZHSS-QWRGUYRKSA-N 2 1 316.232 2.647 20 0 DFADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000641803672 430478922 /nfs/dbraw/zinc/47/89/22/430478922.db2.gz DIWMKGRMUKGYRW-QWRGUYRKSA-N 2 1 316.232 2.647 20 0 DFADMP CC[C@@](C)(O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000569172241 430428213 /nfs/dbraw/zinc/42/82/13/430428213.db2.gz UQILNFCWEFYRMA-NVXWUHKLSA-N 2 1 310.507 2.971 20 0 DFADMP CC[C@@](C)(O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000569172241 430428216 /nfs/dbraw/zinc/42/82/16/430428216.db2.gz UQILNFCWEFYRMA-NVXWUHKLSA-N 2 1 310.507 2.971 20 0 DFADMP CC[C@](C)(O)C[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000569172242 430428796 /nfs/dbraw/zinc/42/87/96/430428796.db2.gz UQILNFCWEFYRMA-RDJZCZTQSA-N 2 1 310.507 2.971 20 0 DFADMP CC[C@](C)(O)C[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000569172242 430428802 /nfs/dbraw/zinc/42/88/02/430428802.db2.gz UQILNFCWEFYRMA-RDJZCZTQSA-N 2 1 310.507 2.971 20 0 DFADMP [NH3+][C@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cn2)c2ccccc21 ZINC000583806372 430429127 /nfs/dbraw/zinc/42/91/27/430429127.db2.gz AEVYPIPTQUQGHV-GJZGRUSLSA-N 2 1 303.793 2.848 20 0 DFADMP C[C@@H]([NH2+]C1CC(n2cccn2)C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000638973182 430484494 /nfs/dbraw/zinc/48/44/94/430484494.db2.gz YFIDRLXOTSZYTK-RSIVFMTNSA-N 2 1 302.466 2.829 20 0 DFADMP COC[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000638973160 430485031 /nfs/dbraw/zinc/48/50/31/430485031.db2.gz XZUMQGOZKFXJFT-NZSAHSFTSA-N 2 1 318.461 2.606 20 0 DFADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)OC ZINC000638973160 430485035 /nfs/dbraw/zinc/48/50/35/430485035.db2.gz XZUMQGOZKFXJFT-NZSAHSFTSA-N 2 1 318.461 2.606 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CS1 ZINC000638971290 430485095 /nfs/dbraw/zinc/48/50/95/430485095.db2.gz QWDWLTQQVNRVFS-ZTFGCOKTSA-N 2 1 320.502 2.627 20 0 DFADMP O=C(N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+]1C1CCCC1 ZINC000636203750 430485804 /nfs/dbraw/zinc/48/58/04/430485804.db2.gz YOVUEHAGFMKJQL-MAUKXSAKSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636203750 430485807 /nfs/dbraw/zinc/48/58/07/430485807.db2.gz YOVUEHAGFMKJQL-MAUKXSAKSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000636203750 430485810 /nfs/dbraw/zinc/48/58/10/430485810.db2.gz YOVUEHAGFMKJQL-MAUKXSAKSA-N 2 1 319.493 2.527 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)C1 ZINC000638976491 430486033 /nfs/dbraw/zinc/48/60/33/430486033.db2.gz ISTPWMZDCHEGQE-YAJHFMINSA-N 2 1 314.473 2.779 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000569832403 430490066 /nfs/dbraw/zinc/49/00/66/430490066.db2.gz YAGKELRFMASNDV-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000569832403 430490071 /nfs/dbraw/zinc/49/00/71/430490071.db2.gz YAGKELRFMASNDV-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000569832403 430490075 /nfs/dbraw/zinc/49/00/75/430490075.db2.gz YAGKELRFMASNDV-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP CC1(C)CCC[C@H](C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000569909083 430497002 /nfs/dbraw/zinc/49/70/02/430497002.db2.gz LBBXNURFDIONOW-GOEBONIOSA-N 2 1 305.470 2.590 20 0 DFADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000639047601 430502390 /nfs/dbraw/zinc/50/23/90/430502390.db2.gz LTFUZVLZUBYYPR-UYAOXDASSA-N 2 1 324.472 2.920 20 0 DFADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)n1 ZINC000639047601 430502393 /nfs/dbraw/zinc/50/23/93/430502393.db2.gz LTFUZVLZUBYYPR-UYAOXDASSA-N 2 1 324.472 2.920 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c1 ZINC000549034967 430516257 /nfs/dbraw/zinc/51/62/57/430516257.db2.gz OWOJJIYDBPXXJK-IPELMVKDSA-N 2 1 300.446 2.797 20 0 DFADMP CO[C@@H](C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081711 430516316 /nfs/dbraw/zinc/51/63/16/430516316.db2.gz SYOFXKHXVNHYOA-OALUTQOASA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@@H](C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081711 430516318 /nfs/dbraw/zinc/51/63/18/430516318.db2.gz SYOFXKHXVNHYOA-OALUTQOASA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@@H](C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081711 430516323 /nfs/dbraw/zinc/51/63/23/430516323.db2.gz SYOFXKHXVNHYOA-OALUTQOASA-N 2 1 317.477 2.793 20 0 DFADMP CO[C@@H](C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccn2)CC1)C1CC1 ZINC000639081711 430516328 /nfs/dbraw/zinc/51/63/28/430516328.db2.gz SYOFXKHXVNHYOA-OALUTQOASA-N 2 1 317.477 2.793 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000639081651 430516530 /nfs/dbraw/zinc/51/65/30/430516530.db2.gz SGZXIRJLBFGQAT-RBUKOAKNSA-N 2 1 317.477 2.937 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](CCC[C@@H]2CCO2)CC1 ZINC000639081651 430516533 /nfs/dbraw/zinc/51/65/33/430516533.db2.gz SGZXIRJLBFGQAT-RBUKOAKNSA-N 2 1 317.477 2.937 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](CCC[C@@H]2CCO2)CC1 ZINC000639081651 430516536 /nfs/dbraw/zinc/51/65/36/430516536.db2.gz SGZXIRJLBFGQAT-RBUKOAKNSA-N 2 1 317.477 2.937 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](CCC[C@@H]2CCO2)CC1 ZINC000639081651 430516538 /nfs/dbraw/zinc/51/65/38/430516538.db2.gz SGZXIRJLBFGQAT-RBUKOAKNSA-N 2 1 317.477 2.937 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@@H+](C)C[C@@H]1CC[NH+](C)C1)CC2 ZINC000639082384 430517546 /nfs/dbraw/zinc/51/75/46/430517546.db2.gz ZMTLFODOOWULBK-CJNGLKHVSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH+](C)C[C@@H]1CC[N@H+](C)C1)CC2 ZINC000639082384 430517548 /nfs/dbraw/zinc/51/75/48/430517548.db2.gz ZMTLFODOOWULBK-CJNGLKHVSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH+](C)C[C@@H]1CC[N@@H+](C)C1)CC2 ZINC000639082384 430517552 /nfs/dbraw/zinc/51/75/52/430517552.db2.gz ZMTLFODOOWULBK-CJNGLKHVSA-N 2 1 304.434 2.575 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000570174115 430520727 /nfs/dbraw/zinc/52/07/27/430520727.db2.gz YGGFYYWEXQFSAS-BXUZGUMPSA-N 2 1 320.824 2.744 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000570174922 430521007 /nfs/dbraw/zinc/52/10/07/430521007.db2.gz LHARHTMEHNCAQC-INIZCTEOSA-N 2 1 310.445 2.965 20 0 DFADMP C[C@H]1C[C@@H](CC[NH2+]Cc2cnccn2)C[N@H+]1Cc1ccccc1 ZINC000570176980 430522012 /nfs/dbraw/zinc/52/20/12/430522012.db2.gz KHAICYOELRTPLM-FUHWJXTLSA-N 2 1 310.445 2.867 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000642630958 430522965 /nfs/dbraw/zinc/52/29/65/430522965.db2.gz SHQHVKPJJNYCOC-CGTJXYLNSA-N 2 1 315.461 2.929 20 0 DFADMP C[NH+](C)[C@@H]1CCCN([C@H](c2nnc[nH]2)C2CCCCC2)CC1 ZINC000639103197 430524848 /nfs/dbraw/zinc/52/48/48/430524848.db2.gz HXHNGONJJOMBKE-CVEARBPZSA-N 2 1 305.470 2.842 20 0 DFADMP C[C@@H]1C[C@H](Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000639114626 430530282 /nfs/dbraw/zinc/53/02/82/430530282.db2.gz GMEZFRCLRCFAJY-CPUCHLNUSA-N 2 1 303.450 2.966 20 0 DFADMP CCOC1CC(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639117508 430531560 /nfs/dbraw/zinc/53/15/60/430531560.db2.gz HDGQLEQXFUUMOH-VIQWUECVSA-N 2 1 302.462 2.913 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC[C@@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120799 430532132 /nfs/dbraw/zinc/53/21/32/430532132.db2.gz USQGATMPHCEWPC-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC[C@@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120799 430532136 /nfs/dbraw/zinc/53/21/36/430532136.db2.gz USQGATMPHCEWPC-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCC[C@@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120799 430532140 /nfs/dbraw/zinc/53/21/40/430532140.db2.gz USQGATMPHCEWPC-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@H]1c1ccccc1 ZINC000550996864 430548075 /nfs/dbraw/zinc/54/80/75/430548075.db2.gz GVHJKGLTNRKCFO-OALUTQOASA-N 2 1 323.440 2.711 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639169128 430553671 /nfs/dbraw/zinc/55/36/71/430553671.db2.gz CSDVJKXZPQMMTH-QGZVFWFLSA-N 2 1 320.477 2.658 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639169128 430553673 /nfs/dbraw/zinc/55/36/73/430553673.db2.gz CSDVJKXZPQMMTH-QGZVFWFLSA-N 2 1 320.477 2.658 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639189236 430563867 /nfs/dbraw/zinc/56/38/67/430563867.db2.gz DXFPIMRENWMYFU-PKOBYXMFSA-N 2 1 310.445 2.910 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639189236 430563869 /nfs/dbraw/zinc/56/38/69/430563869.db2.gz DXFPIMRENWMYFU-PKOBYXMFSA-N 2 1 310.445 2.910 20 0 DFADMP COc1ncc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1Cl ZINC000551985280 430575305 /nfs/dbraw/zinc/57/53/05/430575305.db2.gz KDOIYIMWJHHUEK-UHFFFAOYSA-N 2 1 308.813 2.771 20 0 DFADMP COc1ncc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1Cl ZINC000551985280 430575308 /nfs/dbraw/zinc/57/53/08/430575308.db2.gz KDOIYIMWJHHUEK-UHFFFAOYSA-N 2 1 308.813 2.771 20 0 DFADMP C[S@@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000552086431 430583984 /nfs/dbraw/zinc/58/39/84/430583984.db2.gz GXUNUXVZSULOSC-JOCHJYFZSA-N 2 1 320.502 2.529 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[NH+](C(C)C)CC2)c2ccccn21 ZINC000570932360 430589579 /nfs/dbraw/zinc/58/95/79/430589579.db2.gz LGWNMYGLTCQSBD-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639257689 430590460 /nfs/dbraw/zinc/59/04/60/430590460.db2.gz QNGNOFGMLCOVOR-ZWKOTPCHSA-N 2 1 301.478 2.834 20 0 DFADMP COC[C@H](C)C[N@@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000570966352 430592142 /nfs/dbraw/zinc/59/21/42/430592142.db2.gz UAEGIPMWHGXHDM-ZBFHGGJFSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552247700 430592313 /nfs/dbraw/zinc/59/23/13/430592313.db2.gz XVRJBYHZGBUBGE-DLVXIWMQSA-N 2 1 313.489 2.900 20 0 DFADMP COCC1(C[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)CCC1 ZINC000643370933 430595755 /nfs/dbraw/zinc/59/57/55/430595755.db2.gz VBDBNZGOPPWXCY-MRXNPFEDSA-N 2 1 303.450 2.941 20 0 DFADMP COCC1(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)CCC1 ZINC000643370933 430595756 /nfs/dbraw/zinc/59/57/56/430595756.db2.gz VBDBNZGOPPWXCY-MRXNPFEDSA-N 2 1 303.450 2.941 20 0 DFADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571040296 430598927 /nfs/dbraw/zinc/59/89/27/430598927.db2.gz AADNJACWYHGNJR-RTBURBONSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[C@@]3(CC[N@H+](C)C3)C2)c2ccccn21 ZINC000570456374 430544033 /nfs/dbraw/zinc/54/40/33/430544033.db2.gz VESDUMIBVPQZJM-LJQANCHMSA-N 2 1 312.461 2.985 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[C@@]3(CC[N@@H+](C)C3)C2)c2ccccn21 ZINC000570456374 430544035 /nfs/dbraw/zinc/54/40/35/430544035.db2.gz VESDUMIBVPQZJM-LJQANCHMSA-N 2 1 312.461 2.985 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453309 430602524 /nfs/dbraw/zinc/60/25/24/430602524.db2.gz ZVHJUVHCSURSSX-CPUCHLNUSA-N 2 1 307.869 2.754 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2COc3ccccc3C2)C1 ZINC000550700402 430544500 /nfs/dbraw/zinc/54/45/00/430544500.db2.gz HVOUHJSGSMMBNQ-AEFFLSMTSA-N 2 1 302.462 2.948 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCC2(CCCC2)O1 ZINC000554825757 430652308 /nfs/dbraw/zinc/65/23/08/430652308.db2.gz ZLJYGRLVHUVXIK-BRSBDYLESA-N 2 1 322.493 2.662 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000187205542 277901387 /nfs/dbraw/zinc/90/13/87/277901387.db2.gz VULYYDMEGYAMLW-SFHVURJKSA-N 2 1 304.478 2.954 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cccc3c2CCOC3)C1 ZINC000639504665 430658199 /nfs/dbraw/zinc/65/81/99/430658199.db2.gz AGUUMRWDWKCUNH-MRXNPFEDSA-N 2 1 302.462 2.923 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cccc3c2CCOC3)C1 ZINC000639504665 430658200 /nfs/dbraw/zinc/65/82/00/430658200.db2.gz AGUUMRWDWKCUNH-MRXNPFEDSA-N 2 1 302.462 2.923 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cccc3c2CCOC3)C1 ZINC000639504665 430658203 /nfs/dbraw/zinc/65/82/03/430658203.db2.gz AGUUMRWDWKCUNH-MRXNPFEDSA-N 2 1 302.462 2.923 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552920566 430603569 /nfs/dbraw/zinc/60/35/69/430603569.db2.gz ASMHFKQMAMCJHW-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552920566 430603573 /nfs/dbraw/zinc/60/35/73/430603573.db2.gz ASMHFKQMAMCJHW-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643457600 430603600 /nfs/dbraw/zinc/60/36/00/430603600.db2.gz PNSNJOIUXVYAEU-WRURNZQNSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643457600 430603603 /nfs/dbraw/zinc/60/36/03/430603603.db2.gz PNSNJOIUXVYAEU-WRURNZQNSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)C2)cc1 ZINC000643457600 430603606 /nfs/dbraw/zinc/60/36/06/430603606.db2.gz PNSNJOIUXVYAEU-WRURNZQNSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000643457628 430603643 /nfs/dbraw/zinc/60/36/43/430603643.db2.gz RIJBNGPKBJETCR-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000643457625 430604835 /nfs/dbraw/zinc/60/48/35/430604835.db2.gz RIJBNGPKBJETCR-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP OCc1ccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)cc1 ZINC000643478194 430607086 /nfs/dbraw/zinc/60/70/86/430607086.db2.gz BJKQMBQZPQISHS-WOJBJXKFSA-N 2 1 310.441 2.804 20 0 DFADMP C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@@H]1CCC[NH2+]1 ZINC000643480442 430607689 /nfs/dbraw/zinc/60/76/89/430607689.db2.gz TWBWYKUCOLDXRF-MVBLQPKNSA-N 2 1 313.489 2.627 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@H]2CCCC[NH2+]2)cc1OC ZINC000643502395 430610195 /nfs/dbraw/zinc/61/01/95/430610195.db2.gz FHFCAEMEWFRZMT-IJEWVQPXSA-N 2 1 306.450 2.928 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1cc2c(ccc3ccccc23)o1 ZINC000643531412 430613296 /nfs/dbraw/zinc/61/32/96/430613296.db2.gz NTMYNATXFFPINP-JDFRZJQESA-N 2 1 310.397 2.817 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4c3CCOC4)CC[C@H]21 ZINC000639518342 430661037 /nfs/dbraw/zinc/66/10/37/430661037.db2.gz FEGUCVLRAVRLLH-VQIMIIECSA-N 2 1 300.446 2.675 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000571398241 430625825 /nfs/dbraw/zinc/62/58/25/430625825.db2.gz KEVLHHTVZGJUAW-HNNXBMFYSA-N 2 1 315.421 2.591 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](Cc2ccccc2-n2cncn2)CC1 ZINC000639378152 430626367 /nfs/dbraw/zinc/62/63/67/430626367.db2.gz CSONASZEXVESOK-UHFFFAOYSA-N 2 1 313.449 2.574 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000554095005 430627366 /nfs/dbraw/zinc/62/73/66/430627366.db2.gz ASSJIYBFUPLCMD-FUMNGEBKSA-N 2 1 316.489 2.751 20 0 DFADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000571569301 430638752 /nfs/dbraw/zinc/63/87/52/430638752.db2.gz YMCFDWSKGTTWTC-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000571569301 430638755 /nfs/dbraw/zinc/63/87/55/430638755.db2.gz YMCFDWSKGTTWTC-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000571569301 430638757 /nfs/dbraw/zinc/63/87/57/430638757.db2.gz YMCFDWSKGTTWTC-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000571569301 430638758 /nfs/dbraw/zinc/63/87/58/430638758.db2.gz YMCFDWSKGTTWTC-HOCLYGCPSA-N 2 1 306.450 2.866 20 0 DFADMP CCn1c2ccccc2nc1CN(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000571689926 430645766 /nfs/dbraw/zinc/64/57/66/430645766.db2.gz XSHRAFWQVHQSJI-ZBFHGGJFSA-N 2 1 300.450 2.828 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Br)c3C2)CC1 ZINC000555510970 430668284 /nfs/dbraw/zinc/66/82/84/430668284.db2.gz HNXVJRLGQHHCSE-CQSZACIVSA-N 2 1 323.278 2.990 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@H]([NH3+])C[C@H]1C ZINC000572055677 430669838 /nfs/dbraw/zinc/66/98/38/430669838.db2.gz MFUAMECMFUYMQQ-OLZOCXBDSA-N 2 1 307.463 2.549 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)Cc2cnc[nH]2)c(C[NH+](C)C)c1 ZINC000572176738 430674827 /nfs/dbraw/zinc/67/48/27/430674827.db2.gz IRBJXHDIDNHHEY-CYBMUJFWSA-N 2 1 300.406 2.597 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639593211 430677578 /nfs/dbraw/zinc/67/75/78/430677578.db2.gz RJCJSQOWLADNEV-QGZVFWFLSA-N 2 1 323.444 2.953 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](Cn2cnc3ccccc32)C1 ZINC000639593211 430677580 /nfs/dbraw/zinc/67/75/80/430677580.db2.gz RJCJSQOWLADNEV-QGZVFWFLSA-N 2 1 323.444 2.953 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@@H]2CCC[NH2+]2)CC1 ZINC000572247254 430678670 /nfs/dbraw/zinc/67/86/70/430678670.db2.gz ZZSFQCGRCNWLBB-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cccc([C@H]2C[C@H](O)C[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000282049828 278022607 /nfs/dbraw/zinc/02/26/07/278022607.db2.gz GJNRBPBWEAKFKU-PKOBYXMFSA-N 2 1 318.461 2.679 20 0 DFADMP COc1cccc([C@H]2C[C@H](O)C[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000282049828 278022608 /nfs/dbraw/zinc/02/26/08/278022608.db2.gz GJNRBPBWEAKFKU-PKOBYXMFSA-N 2 1 318.461 2.679 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC[N@H+]1C ZINC000152043041 278025259 /nfs/dbraw/zinc/02/52/59/278025259.db2.gz HJHZOTZQMJZFPK-CRAIPNDOSA-N 2 1 320.452 2.946 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000572398901 430686026 /nfs/dbraw/zinc/68/60/26/430686026.db2.gz HTQZSTQHDNXJGF-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C)[C@H](C(=O)OC(C)(C)C)C1 ZINC000572398901 430686028 /nfs/dbraw/zinc/68/60/28/430686028.db2.gz HTQZSTQHDNXJGF-GDBMZVCRSA-N 2 1 321.465 2.881 20 0 DFADMP C[C@H](CCNC(=O)CC[C@@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000292027387 278173140 /nfs/dbraw/zinc/17/31/40/278173140.db2.gz GIANHBNBZSKTTE-AEFFLSMTSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@@H](C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000371425602 278242654 /nfs/dbraw/zinc/24/26/54/278242654.db2.gz TXHJRGJJUADSIC-FXAWDEMLSA-N 2 1 315.505 2.890 20 0 DFADMP OC[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)CC1CC1 ZINC000657707190 430713799 /nfs/dbraw/zinc/71/37/99/430713799.db2.gz QESJBQGOHWJVIW-GOSISDBHSA-N 2 1 302.462 2.649 20 0 DFADMP COc1ccccc1/C=C\C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657751341 430724929 /nfs/dbraw/zinc/72/49/29/430724929.db2.gz QMKJZQSVMIAWID-WLPBJKJWSA-N 2 1 316.445 2.551 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000664719668 430729699 /nfs/dbraw/zinc/72/96/99/430729699.db2.gz VPXZFJWNFIQQAG-INIZCTEOSA-N 2 1 305.466 2.703 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)Cc1ccc2ccccc2c1 ZINC000644521989 430742127 /nfs/dbraw/zinc/74/21/27/430742127.db2.gz NDNJUPQLZIZLDC-HBMCJLEFSA-N 2 1 324.468 2.960 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)Cc1ccc2ccccc2c1 ZINC000644521989 430742133 /nfs/dbraw/zinc/74/21/33/430742133.db2.gz NDNJUPQLZIZLDC-HBMCJLEFSA-N 2 1 324.468 2.960 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C[C@H](O)Cc2ccccc2)c1 ZINC000644527132 430744550 /nfs/dbraw/zinc/74/45/50/430744550.db2.gz OGTRLBQJHZQZEV-HXUWFJFHSA-N 2 1 312.457 2.832 20 0 DFADMP COC[C@H](CC1CCOCC1)[NH2+]C[C@H](C(C)C)[NH+]1CCCC1 ZINC000657833070 430748798 /nfs/dbraw/zinc/74/87/98/430748798.db2.gz MPNKETHXPHMTOF-ZWKOTPCHSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cc(-c2ccccc2)nn1C ZINC000651294221 430758994 /nfs/dbraw/zinc/75/89/94/430758994.db2.gz RCTUOFYYQXKMLZ-HOCLYGCPSA-N 2 1 321.428 2.949 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1Cl ZINC000657875774 430759240 /nfs/dbraw/zinc/75/92/40/430759240.db2.gz PFUWANAHESPXNT-FRFSOERESA-N 2 1 310.869 2.878 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+]1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029543 288049427 /nfs/dbraw/zinc/04/94/27/288049427.db2.gz TYFLIQRIKGMWAF-CVEARBPZSA-N 2 1 310.482 2.818 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CCC[N@H+]1CC(C)C)C1(C(=O)OC)CCC1 ZINC000354029543 288049429 /nfs/dbraw/zinc/04/94/29/288049429.db2.gz TYFLIQRIKGMWAF-CVEARBPZSA-N 2 1 310.482 2.818 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000657973161 430778327 /nfs/dbraw/zinc/77/83/27/430778327.db2.gz CASHQELZSSQKOU-VQTJNVASSA-N 2 1 316.489 2.919 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000657973161 430778332 /nfs/dbraw/zinc/77/83/32/430778332.db2.gz CASHQELZSSQKOU-VQTJNVASSA-N 2 1 316.489 2.919 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000658121010 430818206 /nfs/dbraw/zinc/81/82/06/430818206.db2.gz YZCZZXKETBICPB-NUEKZKHPSA-N 2 1 304.434 2.666 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000658121010 430818210 /nfs/dbraw/zinc/81/82/10/430818210.db2.gz YZCZZXKETBICPB-NUEKZKHPSA-N 2 1 304.434 2.666 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1C[C@H]1C ZINC000658135291 430821235 /nfs/dbraw/zinc/82/12/35/430821235.db2.gz CZLKIXKVHGPKHA-FCLVOEFKSA-N 2 1 302.462 2.777 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1nccs1 ZINC000658141435 430822631 /nfs/dbraw/zinc/82/26/31/430822631.db2.gz XCXJFVPADGEHLN-BBRMVZONSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)c1nccs1 ZINC000658141435 430822633 /nfs/dbraw/zinc/82/26/33/430822633.db2.gz XCXJFVPADGEHLN-BBRMVZONSA-N 2 1 317.458 2.561 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648560739 430823717 /nfs/dbraw/zinc/82/37/17/430823717.db2.gz MXFZIRGJDUHMJO-KFKAGJAMSA-N 2 1 302.462 2.849 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155651 430825287 /nfs/dbraw/zinc/82/52/87/430825287.db2.gz QMTGOFQFLYLRGN-OWYHZJEWSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1(CO)CC1 ZINC000658155643 430826200 /nfs/dbraw/zinc/82/62/00/430826200.db2.gz QMTGOFQFLYLRGN-DSLXNQLJSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC(F)(F)F ZINC000644670244 430784544 /nfs/dbraw/zinc/78/45/44/430784544.db2.gz LFZGIFPWIAUIOU-DZGCQCFKSA-N 2 1 318.383 2.657 20 0 DFADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC(F)(F)F ZINC000644670244 430784546 /nfs/dbraw/zinc/78/45/46/430784546.db2.gz LFZGIFPWIAUIOU-DZGCQCFKSA-N 2 1 318.383 2.657 20 0 DFADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)CC(F)(F)F ZINC000644670255 430784768 /nfs/dbraw/zinc/78/47/68/430784768.db2.gz LFZGIFPWIAUIOU-UKRRQHHQSA-N 2 1 318.383 2.657 20 0 DFADMP C[C@@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)CC(F)(F)F ZINC000644670255 430784773 /nfs/dbraw/zinc/78/47/73/430784773.db2.gz LFZGIFPWIAUIOU-UKRRQHHQSA-N 2 1 318.383 2.657 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1CC(F)(F)C1 ZINC000644666613 430786100 /nfs/dbraw/zinc/78/61/00/430786100.db2.gz IYCXEOGGRMGZCA-INIZCTEOSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCC1CC(F)(F)C1 ZINC000644666613 430786105 /nfs/dbraw/zinc/78/61/05/430786105.db2.gz IYCXEOGGRMGZCA-INIZCTEOSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000644675182 430787349 /nfs/dbraw/zinc/78/73/49/430787349.db2.gz CVPVEIKOEPFRDO-OTWHNJEPSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000644675182 430787352 /nfs/dbraw/zinc/78/73/52/430787352.db2.gz CVPVEIKOEPFRDO-OTWHNJEPSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2COC3(CCC3)C2)[C@H](c2ccccc2)C1 ZINC000658041627 430791014 /nfs/dbraw/zinc/79/10/14/430791014.db2.gz DUPCZJBYNHDYDL-SQNIBIBYSA-N 2 1 300.446 2.633 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)C1CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658088747 430805537 /nfs/dbraw/zinc/80/55/37/430805537.db2.gz UXWLWLOPJKEQMG-SNRMKQJTSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000648497742 430806812 /nfs/dbraw/zinc/80/68/12/430806812.db2.gz DKLYLMVLTAAPQX-DLBZAZTESA-N 2 1 310.482 2.569 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2N2CCCC2)[C@H](C)C1 ZINC000658100928 430810742 /nfs/dbraw/zinc/81/07/42/430810742.db2.gz MCCNYVYNQTWGBY-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2N2CCCC2)[C@H](C)C1 ZINC000658100928 430810746 /nfs/dbraw/zinc/81/07/46/430810746.db2.gz MCCNYVYNQTWGBY-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP COC[C@@H](CC(C)(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000651720917 430858307 /nfs/dbraw/zinc/85/83/07/430858307.db2.gz OBWMMUNTFRUXQE-IXDOHACOSA-N 2 1 314.514 2.917 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cnc(C(F)(F)F)nc1 ZINC000665234996 430863366 /nfs/dbraw/zinc/86/33/66/430863366.db2.gz NVADHEBLZDBGDK-WCQYABFASA-N 2 1 316.371 2.896 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+]CC2([NH3+])CCCC2)cc1OC ZINC000665248898 430869180 /nfs/dbraw/zinc/86/91/80/430869180.db2.gz FNGDIEVUJIWBMP-AWEZNQCLSA-N 2 1 322.449 2.643 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@H]2CCC[NH2+]CC2)on1 ZINC000665299282 430889360 /nfs/dbraw/zinc/88/93/60/430889360.db2.gz JVPUPUJLRGKCMI-ZDUSSCGKSA-N 2 1 301.390 2.582 20 0 DFADMP C[C@H]1[C@@H](O)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723993 430869985 /nfs/dbraw/zinc/86/99/85/430869985.db2.gz LCYMPBNDISHDFH-LPHOPBHVSA-N 2 1 318.461 2.506 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H]2CCO[C@H](C)C2)cc1 ZINC000665255011 430870105 /nfs/dbraw/zinc/87/01/05/430870105.db2.gz GIEDJYKIKDVNJP-XIVBQZFQSA-N 2 1 318.461 2.688 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)c(F)c1)[C@H]1CCCOC1 ZINC000665253333 430870460 /nfs/dbraw/zinc/87/04/60/430870460.db2.gz OASCIALIURPWCI-MJXUCMMTSA-N 2 1 324.415 2.815 20 0 DFADMP CO[C@H]1CCC[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257497 430873415 /nfs/dbraw/zinc/87/34/15/430873415.db2.gz LJRVHJAZJKTORM-WNRNVDISSA-N 2 1 306.425 2.818 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000665264681 430874017 /nfs/dbraw/zinc/87/40/17/430874017.db2.gz GBMVTPFIBREBMV-WMZOPIPTSA-N 2 1 310.445 2.880 20 0 DFADMP COC[C@@H](CC(C)(C)C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000651786126 430874466 /nfs/dbraw/zinc/87/44/66/430874466.db2.gz LYHFHAMPFPVOHQ-HZPDHXFCSA-N 2 1 300.487 2.528 20 0 DFADMP Cn1ncc(C2CC2)c1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000665264680 430874973 /nfs/dbraw/zinc/87/49/73/430874973.db2.gz GBMVTPFIBREBMV-SJLPKXTDSA-N 2 1 310.445 2.880 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCOC2(C)C)[C@H](C)C1 ZINC000658331188 430877443 /nfs/dbraw/zinc/87/74/43/430877443.db2.gz MBBQJLZVHZQYDE-IKGGRYGDSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nccn1C ZINC000658335070 430879502 /nfs/dbraw/zinc/87/95/02/430879502.db2.gz JGZATSFUYVCOKA-GJZGRUSLSA-N 2 1 316.449 2.772 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1NC[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277237 430879671 /nfs/dbraw/zinc/87/96/71/430879671.db2.gz XERGCUJGLPMFGV-GUDVDZBRSA-N 3 1 313.489 2.758 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1cc(F)ccc1OC(F)F ZINC000665283470 430884060 /nfs/dbraw/zinc/88/40/60/430884060.db2.gz OKBHXZDABYEOQX-GXFFZTMASA-N 2 1 302.340 2.905 20 0 DFADMP CCCCc1ccc([C@@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290944 430885891 /nfs/dbraw/zinc/88/58/91/430885891.db2.gz PMCYBHIGEBFOHF-CYBMUJFWSA-N 2 1 314.433 2.834 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@@H](C)O2)[C@H](C)C1 ZINC000658217506 430843121 /nfs/dbraw/zinc/84/31/21/430843121.db2.gz FIGWAXIOERXLAK-BDXSIMOUSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300126 430890560 /nfs/dbraw/zinc/89/05/60/430890560.db2.gz YRVNIGBYCPRSMB-OXQOHEQNSA-N 2 1 315.505 2.657 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000648794990 430896797 /nfs/dbraw/zinc/89/67/97/430896797.db2.gz OILRRKUGLSALSA-XHSDSOJGSA-N 2 1 320.481 2.585 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000648794990 430896800 /nfs/dbraw/zinc/89/68/00/430896800.db2.gz OILRRKUGLSALSA-XHSDSOJGSA-N 2 1 320.481 2.585 20 0 DFADMP CC[N@@H+](CCC[NH2+][C@@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000651910463 430913489 /nfs/dbraw/zinc/91/34/89/430913489.db2.gz UTZJDSLULBXHIN-MRXNPFEDSA-N 2 1 309.498 2.678 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000648860073 430917215 /nfs/dbraw/zinc/91/72/15/430917215.db2.gz UNWXIQBQDCMJEV-JKSUJKDBSA-N 2 1 320.481 2.777 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCC(F)CC1 ZINC000661999871 430918287 /nfs/dbraw/zinc/91/82/87/430918287.db2.gz ILIOTVUHGBUPOT-JYPHPWERSA-N 2 1 322.468 2.986 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC(F)CC1 ZINC000661999871 430918289 /nfs/dbraw/zinc/91/82/89/430918289.db2.gz ILIOTVUHGBUPOT-JYPHPWERSA-N 2 1 322.468 2.986 20 0 DFADMP C[C@@H]1[C@H](C(=O)Nc2ccc3c(c2)CC[C@@H]3[NH+](C)C)CC[N@H+]1C ZINC000648922268 430938556 /nfs/dbraw/zinc/93/85/56/430938556.db2.gz CHDKVTDNFMTSBD-VMGRFDJRSA-N 2 1 301.434 2.514 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN(C/C=C\c3ccc(Cl)cc3)CC2)C1 ZINC000662152413 430979380 /nfs/dbraw/zinc/97/93/80/430979380.db2.gz UNWUHOKJYVNPKB-LPQSXRFUSA-N 2 1 320.864 2.884 20 0 DFADMP C[C@@H](c1ccccc1Cl)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154426 430981818 /nfs/dbraw/zinc/98/18/18/430981818.db2.gz FDJLJRKHRXQGRD-ZFWWWQNUSA-N 2 1 308.853 2.932 20 0 DFADMP C[C@H](CCc1ccccc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662160077 430984549 /nfs/dbraw/zinc/98/45/49/430984549.db2.gz MFEHNNUDKHPOHM-VQIMIIECSA-N 2 1 302.462 2.539 20 0 DFADMP CC[N@@H+](CCCNC(=O)N1CCCC[C@H]1C[NH3+])C1CCCCC1 ZINC000652227530 430995300 /nfs/dbraw/zinc/99/53/00/430995300.db2.gz JJYCQRGXIMCSBB-KRWDZBQOSA-N 2 1 324.513 2.554 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2Cl)C2CC2)CC1 ZINC000645434728 431001336 /nfs/dbraw/zinc/00/13/36/431001336.db2.gz SGKWCEUHNCUYLO-GOSISDBHSA-N 2 1 322.880 2.707 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000645250189 430952110 /nfs/dbraw/zinc/95/21/10/430952110.db2.gz AJBWUJIWSGUDLG-OTWHNJEPSA-N 2 1 316.489 2.990 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000645250189 430952113 /nfs/dbraw/zinc/95/21/13/430952113.db2.gz AJBWUJIWSGUDLG-OTWHNJEPSA-N 2 1 316.489 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000645250189 430952117 /nfs/dbraw/zinc/95/21/17/430952117.db2.gz AJBWUJIWSGUDLG-OTWHNJEPSA-N 2 1 316.489 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC(C)(C)[C@@H]2CCC[C@@H]21 ZINC000645250189 430952120 /nfs/dbraw/zinc/95/21/20/430952120.db2.gz AJBWUJIWSGUDLG-OTWHNJEPSA-N 2 1 316.489 2.990 20 0 DFADMP CCCN(C(=O)c1ccc(C[NH+](CC)CC)o1)[C@@H]1CC[N@@H+](C)C1 ZINC000649001600 430969750 /nfs/dbraw/zinc/96/97/50/430969750.db2.gz PPIQDYDSDLWLMI-OAHLLOKOSA-N 2 1 321.465 2.678 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2csc(N(C)C3CC3)n2)CC1 ZINC000662264817 431022421 /nfs/dbraw/zinc/02/24/21/431022421.db2.gz MPCSHHPIYSNMKR-UHFFFAOYSA-N 2 1 308.495 2.563 20 0 DFADMP C[NH+](C/C=C/C[N@H+](C)CC1=CCSC1)CC1=CCSC1 ZINC000662266681 431023814 /nfs/dbraw/zinc/02/38/14/431023814.db2.gz KYVJHNOOOAXZQM-ONEGZZNKSA-N 2 1 310.532 2.753 20 0 DFADMP C[N@H+](CC1=CCSC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662267905 431024971 /nfs/dbraw/zinc/02/49/71/431024971.db2.gz ZAPXWPOOMQMBQX-UHFFFAOYSA-N 2 1 318.486 2.624 20 0 DFADMP C[N@@H+](CC1=CCSC1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000662267905 431024978 /nfs/dbraw/zinc/02/49/78/431024978.db2.gz ZAPXWPOOMQMBQX-UHFFFAOYSA-N 2 1 318.486 2.624 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)C1 ZINC000652345902 431025760 /nfs/dbraw/zinc/02/57/60/431025760.db2.gz ONUVWPDNCPVXHW-QRVBRYPASA-N 2 1 302.462 2.838 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCOc3ccccc3)C2)C1 ZINC000652346814 431027238 /nfs/dbraw/zinc/02/72/38/431027238.db2.gz IPWQSRPWGNAIDG-YQVWRLOYSA-N 2 1 318.461 2.674 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352681 431027465 /nfs/dbraw/zinc/02/74/65/431027465.db2.gz MUCQOPPHXZNNAS-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352681 431027468 /nfs/dbraw/zinc/02/74/68/431027468.db2.gz MUCQOPPHXZNNAS-GJYPPUQNSA-N 2 1 315.461 2.691 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCOc3ccccc3)C2)C1 ZINC000652346813 431028661 /nfs/dbraw/zinc/02/86/61/431028661.db2.gz IPWQSRPWGNAIDG-SCTDSRPQSA-N 2 1 318.461 2.674 20 0 DFADMP CCc1ccc(NC(=O)[C@@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652350434 431028674 /nfs/dbraw/zinc/02/86/74/431028674.db2.gz YJPSCAJIAAIYKT-ALKREAHSSA-N 2 1 315.461 2.637 20 0 DFADMP CCc1ccc(NC(=O)[C@@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1 ZINC000652350434 431028681 /nfs/dbraw/zinc/02/86/81/431028681.db2.gz YJPSCAJIAAIYKT-ALKREAHSSA-N 2 1 315.461 2.637 20 0 DFADMP CN(c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1)C1CC1 ZINC000662274448 431030202 /nfs/dbraw/zinc/03/02/02/431030202.db2.gz UIKZJXBYHFTNRZ-KBPBESRZSA-N 2 1 320.506 2.563 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662278256 431031028 /nfs/dbraw/zinc/03/10/28/431031028.db2.gz DBBGCMSOVIKQJM-SJLPKXTDSA-N 2 1 300.446 2.961 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]2[C@H]2CCCOC2)c2c(c1)C[NH2+]CC2 ZINC000662284641 431031759 /nfs/dbraw/zinc/03/17/59/431031759.db2.gz YNPPJHRJBXXPGJ-PKOBYXMFSA-N 2 1 300.446 2.723 20 0 DFADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280828 431032255 /nfs/dbraw/zinc/03/22/55/431032255.db2.gz GCHXACWCUHRCHL-QWHCGFSZSA-N 2 1 318.383 2.562 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363826 431032911 /nfs/dbraw/zinc/03/29/11/431032911.db2.gz OWPPWJMXTUHNPG-UHOSZYNNSA-N 2 1 317.477 2.613 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1)C1CCCCC1 ZINC000662285076 431034087 /nfs/dbraw/zinc/03/40/87/431034087.db2.gz WEMNTHOCXBOAEQ-WJFTUGDTSA-N 2 1 324.509 2.943 20 0 DFADMP Fc1ccccc1C[C@H]1CCCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662286960 431034283 /nfs/dbraw/zinc/03/42/83/431034283.db2.gz VFQGQVMPMJZWAH-IAGOWNOFSA-N 2 1 318.436 2.744 20 0 DFADMP CC(C)c1noc([C@@H](C)[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291602 431036280 /nfs/dbraw/zinc/03/62/80/431036280.db2.gz JAAUQGSYWJRKLG-HIFRSBDPSA-N 2 1 306.454 2.966 20 0 DFADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662297801 431037483 /nfs/dbraw/zinc/03/74/83/431037483.db2.gz RYJBCORMPWHXJW-WMZOPIPTSA-N 2 1 323.525 2.591 20 0 DFADMP C[N@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(C)(C)[NH3+] ZINC000662297709 431038321 /nfs/dbraw/zinc/03/83/21/431038321.db2.gz PALFNXGWBLTKOQ-UHFFFAOYSA-N 2 1 318.248 2.991 20 0 DFADMP C[N@@H+](CCC(=O)Nc1cc(Cl)ccc1Cl)CC(C)(C)[NH3+] ZINC000662297709 431038323 /nfs/dbraw/zinc/03/83/23/431038323.db2.gz PALFNXGWBLTKOQ-UHFFFAOYSA-N 2 1 318.248 2.991 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)[C@@H]1CCC[NH3+] ZINC000662309898 431041929 /nfs/dbraw/zinc/04/19/29/431041929.db2.gz AHLSXGBUCHNABO-DNVCBOLYSA-N 3 1 301.478 2.672 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cccc(C(=O)N(C)C)c2)[C@@H]1CCC[NH3+] ZINC000662311979 431042774 /nfs/dbraw/zinc/04/27/74/431042774.db2.gz FCHLZYYPORBPPS-CRAIPNDOSA-N 2 1 317.477 2.728 20 0 DFADMP CC(C)[NH2+]CC(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000662388166 431069788 /nfs/dbraw/zinc/06/97/88/431069788.db2.gz JUVOOMMETZIFSF-MRXNPFEDSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321479 431046831 /nfs/dbraw/zinc/04/68/31/431046831.db2.gz JDBBHBBUAIHRBD-SQNIBIBYSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321479 431046837 /nfs/dbraw/zinc/04/68/37/431046837.db2.gz JDBBHBBUAIHRBD-SQNIBIBYSA-N 2 1 312.498 2.624 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc3cccnc32)CCO1 ZINC000662324192 431047605 /nfs/dbraw/zinc/04/76/05/431047605.db2.gz VUYAQIAZXMWZNE-GOSISDBHSA-N 2 1 313.445 2.777 20 0 DFADMP C[C@@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326321 431048779 /nfs/dbraw/zinc/04/87/79/431048779.db2.gz RHLDBVUZFHVWMU-OCCSQVGLSA-N 2 1 308.388 2.808 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[C@H]1C[NH3+] ZINC000649288739 431057316 /nfs/dbraw/zinc/05/73/16/431057316.db2.gz DCEUJDZYRDWUEZ-MAUKXSAKSA-N 2 1 317.477 2.518 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CC3CCC(=O)CC3)C2)c1 ZINC000649301503 431060018 /nfs/dbraw/zinc/06/00/18/431060018.db2.gz PPNOAEWJZVXBIR-INIZCTEOSA-N 2 1 301.434 2.883 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CC3CCC(=O)CC3)C2)c1 ZINC000649301503 431060021 /nfs/dbraw/zinc/06/00/21/431060021.db2.gz PPNOAEWJZVXBIR-INIZCTEOSA-N 2 1 301.434 2.883 20 0 DFADMP CCC[N@@H+](C[C@H]1CCC2(C[NH2+]C2)O1)[C@@H]1CCc2ccccc21 ZINC000662252262 431015350 /nfs/dbraw/zinc/01/53/50/431015350.db2.gz NFVSEMOGRPQWBL-SJLPKXTDSA-N 2 1 300.446 2.907 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000645494389 431015436 /nfs/dbraw/zinc/01/54/36/431015436.db2.gz GYPZEVAIAQLBLV-QGZVFWFLSA-N 2 1 305.466 2.516 20 0 DFADMP Clc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253023 431016779 /nfs/dbraw/zinc/01/67/79/431016779.db2.gz GLHHJFKKGKDQEZ-JKSUJKDBSA-N 2 1 320.864 2.868 20 0 DFADMP c1cc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cs1 ZINC000662255207 431017017 /nfs/dbraw/zinc/01/70/17/431017017.db2.gz AVXYHGMQUPCXNY-SFHVURJKSA-N 2 1 314.454 2.967 20 0 DFADMP c1cc([C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cs1 ZINC000662255207 431017021 /nfs/dbraw/zinc/01/70/21/431017021.db2.gz AVXYHGMQUPCXNY-SFHVURJKSA-N 2 1 314.454 2.967 20 0 DFADMP CC[C@H](Cc1ccccc1)[N@@H+](CC)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258680 431018613 /nfs/dbraw/zinc/01/86/13/431018613.db2.gz YZBMQWPYERKXJW-QZTJIDSGSA-N 2 1 302.462 2.851 20 0 DFADMP Fc1ccccc1CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655764992 431126259 /nfs/dbraw/zinc/12/62/59/431126259.db2.gz WRMCWFUXJTTXPA-GOSISDBHSA-N 2 1 320.452 2.991 20 0 DFADMP c1cc2cc(CC[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2[nH]1 ZINC000655763784 431126389 /nfs/dbraw/zinc/12/63/89/431126389.db2.gz RVXPCWINAXOSER-SFHVURJKSA-N 2 1 313.445 2.553 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000655755610 431117733 /nfs/dbraw/zinc/11/77/33/431117733.db2.gz GKXIIYXMDVIECV-UHFFFAOYSA-N 2 1 310.445 2.841 20 0 DFADMP C[C@@](O)(C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)C1CCCCC1 ZINC000655760201 431120858 /nfs/dbraw/zinc/12/08/58/431120858.db2.gz MNVNRQQZBUUCTR-RBUKOAKNSA-N 2 1 324.509 2.551 20 0 DFADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)CC2 ZINC000655762433 431123731 /nfs/dbraw/zinc/12/37/31/431123731.db2.gz FDBUPKNUTSTBSK-SFHVURJKSA-N 2 1 315.505 2.906 20 0 DFADMP CCO[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655761978 431123921 /nfs/dbraw/zinc/12/39/21/431123921.db2.gz SNPLJDXMMQOENP-RTBURBONSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000655683211 431080959 /nfs/dbraw/zinc/08/09/59/431080959.db2.gz PUEOOBOTXTWFKP-QAPCUYQASA-N 2 1 320.502 2.893 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000649378495 431082558 /nfs/dbraw/zinc/08/25/58/431082558.db2.gz AGEWSGUWOLRADC-FUHWJXTLSA-N 2 1 323.525 2.863 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccccc1 ZINC000655688299 431083251 /nfs/dbraw/zinc/08/32/51/431083251.db2.gz WFPTZSOLBFGNRL-GOSISDBHSA-N 2 1 302.462 2.807 20 0 DFADMP c1ccc(C2(C[NH2+]C3CC[NH+](C[C@H]4CCCO4)CC3)CC2)cc1 ZINC000655686895 431083264 /nfs/dbraw/zinc/08/32/64/431083264.db2.gz RUIUNSQDUPYOHO-LJQANCHMSA-N 2 1 314.473 2.951 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655696431 431087103 /nfs/dbraw/zinc/08/71/03/431087103.db2.gz PJFFCXRWBUPFDE-MJGOQNOKSA-N 2 1 314.473 2.949 20 0 DFADMP Fc1cc(F)cc(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655713752 431093142 /nfs/dbraw/zinc/09/31/42/431093142.db2.gz VGRICRWELOBDDF-GOSISDBHSA-N 2 1 324.415 2.740 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNCc2cc3n(n2)CCCC3)C1 ZINC000655712783 431093965 /nfs/dbraw/zinc/09/39/65/431093965.db2.gz UYWSGVDCZWQUIJ-IYBDPMFKSA-N 2 1 304.482 2.677 20 0 DFADMP Fc1cccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655711842 431094972 /nfs/dbraw/zinc/09/49/72/431094972.db2.gz NWMLZNPKSVSQFG-LJQANCHMSA-N 2 1 320.452 2.991 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1C ZINC000649417993 431096376 /nfs/dbraw/zinc/09/63/76/431096376.db2.gz TXRCBPOYIXRXEL-DLBZAZTESA-N 2 1 317.477 2.919 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+][C@@H](C)CC[NH+](C)C ZINC000655721774 431098172 /nfs/dbraw/zinc/09/81/72/431098172.db2.gz RHELYMIOBDJGBZ-ZDUSSCGKSA-N 2 1 304.413 2.750 20 0 DFADMP Cc1cccc(O[C@@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655720334 431098606 /nfs/dbraw/zinc/09/86/06/431098606.db2.gz UCKORNMBGNGDDJ-WMZOPIPTSA-N 2 1 318.461 2.605 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H](C)SC3)CC2)nc(C)[nH+]1 ZINC000655720878 431099530 /nfs/dbraw/zinc/09/95/30/431099530.db2.gz IGXWSPGPHDHSOO-BBRMVZONSA-N 2 1 320.506 2.936 20 0 DFADMP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH+]([C@@H]3CCOC3)CC1)C2 ZINC000655729463 431102982 /nfs/dbraw/zinc/10/29/82/431102982.db2.gz HHCIKSMXAGDOSQ-OXJNMPFZSA-N 2 1 314.473 2.634 20 0 DFADMP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655728467 431102997 /nfs/dbraw/zinc/10/29/97/431102997.db2.gz UZBSUBBYYZIVAZ-RYQLBKOJSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)Oc1ccccc1 ZINC000655731126 431104824 /nfs/dbraw/zinc/10/48/24/431104824.db2.gz VEZQVGXNNFOBEW-VQIMIIECSA-N 2 1 318.461 2.687 20 0 DFADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655731201 431105160 /nfs/dbraw/zinc/10/51/60/431105160.db2.gz QWZKOJQKLBUMKN-QRQLOZEOSA-N 2 1 324.509 2.671 20 0 DFADMP Cc1ccc(F)c(CC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655772584 431129023 /nfs/dbraw/zinc/12/90/23/431129023.db2.gz PCKGFPSLVPOZAI-GOSISDBHSA-N 2 1 320.452 2.910 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@@H](C)C[NH+]1CCCC1)c1ccccc1 ZINC000264027640 279042969 /nfs/dbraw/zinc/04/29/69/279042969.db2.gz LSHCNVCMXIFJGM-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000178158691 288102806 /nfs/dbraw/zinc/10/28/06/288102806.db2.gz NDFCZZNXJQTQEK-MDZRGWNJSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178158691 288102808 /nfs/dbraw/zinc/10/28/08/288102808.db2.gz NDFCZZNXJQTQEK-MDZRGWNJSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178158691 288102810 /nfs/dbraw/zinc/10/28/10/288102810.db2.gz NDFCZZNXJQTQEK-MDZRGWNJSA-N 3 1 307.526 2.959 20 0 DFADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074139 279098795 /nfs/dbraw/zinc/09/87/95/279098795.db2.gz IFDJPMQIPDLWIU-KRWDZBQOSA-N 2 1 323.525 2.687 20 0 DFADMP FC(F)(F)C1CC([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655767982 431130804 /nfs/dbraw/zinc/13/08/04/431130804.db2.gz BIZAIBXMLNCBPK-UBHUBRDASA-N 2 1 306.372 2.560 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000358289683 288104815 /nfs/dbraw/zinc/10/48/15/288104815.db2.gz DCEIKWDMZTYNDU-WCVJEAGWSA-N 2 1 312.523 2.750 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000659831999 431131116 /nfs/dbraw/zinc/13/11/16/431131116.db2.gz MPMDRJQSUHAYGP-CALCHBBNSA-N 2 1 321.534 2.844 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000659831999 431131124 /nfs/dbraw/zinc/13/11/24/431131124.db2.gz MPMDRJQSUHAYGP-CALCHBBNSA-N 2 1 321.534 2.844 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000178158714 288105622 /nfs/dbraw/zinc/10/56/22/288105622.db2.gz NDFCZZNXJQTQEK-GPMSIDNRSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178158714 288105625 /nfs/dbraw/zinc/10/56/25/288105625.db2.gz NDFCZZNXJQTQEK-GPMSIDNRSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178158714 288105628 /nfs/dbraw/zinc/10/56/28/288105628.db2.gz NDFCZZNXJQTQEK-GPMSIDNRSA-N 3 1 307.526 2.959 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CC)C[C@@H]2C)cc1 ZINC000288339282 279136490 /nfs/dbraw/zinc/13/64/90/279136490.db2.gz IQQDLPKIROHSRI-INIZCTEOSA-N 2 1 317.477 2.695 20 0 DFADMP Cc1cncc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000649509236 431133528 /nfs/dbraw/zinc/13/35/28/431133528.db2.gz TUNGVOWMDNHGNN-SFHVURJKSA-N 2 1 316.493 2.916 20 0 DFADMP Cc1cncc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000649509236 431133539 /nfs/dbraw/zinc/13/35/39/431133539.db2.gz TUNGVOWMDNHGNN-SFHVURJKSA-N 2 1 316.493 2.916 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+](CC)C1CC1)c1ccccc1 ZINC000355641593 279140997 /nfs/dbraw/zinc/14/09/97/279140997.db2.gz HTIWBNSMQXUFIW-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214962 288101425 /nfs/dbraw/zinc/10/14/25/288101425.db2.gz JQQZQVHHAQELDL-GJYPPUQNSA-N 3 1 316.493 2.616 20 0 DFADMP C[C@@H]1CN(C)[C@@H](C)C[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000089214962 288101426 /nfs/dbraw/zinc/10/14/26/288101426.db2.gz JQQZQVHHAQELDL-GJYPPUQNSA-N 2 1 316.493 2.616 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@H](c3nc(C(F)(F)F)c[nH]3)C2)CC[NH2+]C1 ZINC000262064548 279159543 /nfs/dbraw/zinc/15/95/43/279159543.db2.gz RMCNLROOCBRXPG-SMDDNHRTSA-N 2 1 316.371 2.608 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH3+])cc1)C(C)C ZINC000157806718 279235185 /nfs/dbraw/zinc/23/51/85/279235185.db2.gz UGVAZIQJWMDREC-QZTJIDSGSA-N 2 1 317.477 2.774 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@H]2CC[NH+](C)C2)cc1)C(C)C ZINC000110652354 279235193 /nfs/dbraw/zinc/23/51/93/279235193.db2.gz QUFCFWWRQMFTKG-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@H+](C)C2)cc1)C(C)C ZINC000110652354 279235196 /nfs/dbraw/zinc/23/51/96/279235196.db2.gz QUFCFWWRQMFTKG-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cc1)C(C)C ZINC000110652354 279235197 /nfs/dbraw/zinc/23/51/97/279235197.db2.gz QUFCFWWRQMFTKG-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000319385456 279247399 /nfs/dbraw/zinc/24/73/99/279247399.db2.gz KJETXUPSDCGFDR-DJIMGWMZSA-N 2 1 301.434 2.620 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC([NH+]3CCCCC3)CC2)C1 ZINC000659845820 431142834 /nfs/dbraw/zinc/14/28/34/431142834.db2.gz LTJNGJNCDPYGLN-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCC[C@@H](C)C1 ZINC000237566679 279340245 /nfs/dbraw/zinc/34/02/45/279340245.db2.gz PHZASWRAAFILFU-XLMAVXFVSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@H](C[C@@H](O)c1ccc(F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297613777 279366968 /nfs/dbraw/zinc/36/69/68/279366968.db2.gz KSXRHGWXGBASAK-FZKQIMNGSA-N 2 1 306.425 2.854 20 0 DFADMP CN1CCC[C@@H]1C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000649572694 431167291 /nfs/dbraw/zinc/16/72/91/431167291.db2.gz FXINQQYMJCQUAR-LJQANCHMSA-N 2 1 316.493 2.714 20 0 DFADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCC[N@@H+]1C ZINC000649572694 431167298 /nfs/dbraw/zinc/16/72/98/431167298.db2.gz FXINQQYMJCQUAR-LJQANCHMSA-N 2 1 316.493 2.714 20 0 DFADMP CN(CCC1CCN(c2cc[nH+]cc2)CC1)C[C@H]1CCC[N@H+]1C ZINC000649572694 431167307 /nfs/dbraw/zinc/16/73/07/431167307.db2.gz FXINQQYMJCQUAR-LJQANCHMSA-N 2 1 316.493 2.714 20 0 DFADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000646071462 431169925 /nfs/dbraw/zinc/16/99/25/431169925.db2.gz NWRIEGGBHWNMQJ-PBHICJAKSA-N 2 1 323.506 2.635 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646074432 431171900 /nfs/dbraw/zinc/17/19/00/431171900.db2.gz XPPJHCFRNBFGBD-RTBURBONSA-N 2 1 313.445 2.650 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@H](O)[C@H]1CCc1ccccc1 ZINC000646074432 431171903 /nfs/dbraw/zinc/17/19/03/431171903.db2.gz XPPJHCFRNBFGBD-RTBURBONSA-N 2 1 313.445 2.650 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081884 431175903 /nfs/dbraw/zinc/17/59/03/431175903.db2.gz RBPSNILPOAGMHJ-SFHVURJKSA-N 2 1 311.429 2.851 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649585842 431176865 /nfs/dbraw/zinc/17/68/65/431176865.db2.gz HZZKWCXXCAMTQQ-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649585842 431176874 /nfs/dbraw/zinc/17/68/74/431176874.db2.gz HZZKWCXXCAMTQQ-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649585842 431176881 /nfs/dbraw/zinc/17/68/81/431176881.db2.gz HZZKWCXXCAMTQQ-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccccc1)C1(CO)CC=CC1 ZINC000646081883 431177284 /nfs/dbraw/zinc/17/72/84/431177284.db2.gz RBPSNILPOAGMHJ-GOSISDBHSA-N 2 1 311.429 2.851 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@H](Cc2ccccc2)C1 ZINC000659902773 431179954 /nfs/dbraw/zinc/17/99/54/431179954.db2.gz BUUHOWTXCMHLPN-MOPGFXCFSA-N 2 1 304.478 2.642 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000659901165 431180045 /nfs/dbraw/zinc/18/00/45/431180045.db2.gz UGTWBHGFUDDEES-XYJFISCASA-N 2 1 304.482 2.806 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCO[C@@H]3CC3(F)F)C2)c1 ZINC000659906752 431184892 /nfs/dbraw/zinc/18/48/92/431184892.db2.gz PGJIEYTVKVZAIJ-UONOGXRCSA-N 2 1 311.376 2.548 20 0 DFADMP CCCOc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646105914 431188825 /nfs/dbraw/zinc/18/88/25/431188825.db2.gz LTUWULUUJVJMCU-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP CCCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646105914 431188831 /nfs/dbraw/zinc/18/88/31/431188831.db2.gz LTUWULUUJVJMCU-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1C[C@H]1c1ccccc1)CCO2 ZINC000646106928 431191613 /nfs/dbraw/zinc/19/16/13/431191613.db2.gz YJMAYNUAORXKAX-ROUUACIJSA-N 2 1 300.446 2.587 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)C[C@@H]3CCC[NH+]3C)C2)s1 ZINC000649603433 431191944 /nfs/dbraw/zinc/19/19/44/431191944.db2.gz MFQPPZYMSSJMJZ-SJORKVTESA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C[C@@H]3CCC[N@@H+]3C)C2)s1 ZINC000649603433 431191950 /nfs/dbraw/zinc/19/19/50/431191950.db2.gz MFQPPZYMSSJMJZ-SJORKVTESA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](CN(C)C[C@@H]3CCC[N@H+]3C)C2)s1 ZINC000649603433 431191954 /nfs/dbraw/zinc/19/19/54/431191954.db2.gz MFQPPZYMSSJMJZ-SJORKVTESA-N 2 1 321.534 2.904 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)CC3(C)COC3)C2)s1 ZINC000649604008 431192541 /nfs/dbraw/zinc/19/25/41/431192541.db2.gz NILXSFGUXBWEKK-HNNXBMFYSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)CC3(C)COC3)C2)s1 ZINC000649604008 431192548 /nfs/dbraw/zinc/19/25/48/431192548.db2.gz NILXSFGUXBWEKK-HNNXBMFYSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3(C)COC3)C2)s1 ZINC000649604008 431192555 /nfs/dbraw/zinc/19/25/55/431192555.db2.gz NILXSFGUXBWEKK-HNNXBMFYSA-N 2 1 308.491 2.847 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@H]([NH+]3CCCC3)CC2)C1 ZINC000659943804 431198832 /nfs/dbraw/zinc/19/88/32/431198832.db2.gz FILAEADIWJVWMU-OTWHNJEPSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010205 431147047 /nfs/dbraw/zinc/14/70/47/431147047.db2.gz YWAFGHSJRCGAQB-IEBWSBKVSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010205 431147052 /nfs/dbraw/zinc/14/70/52/431147052.db2.gz YWAFGHSJRCGAQB-IEBWSBKVSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010205 431147058 /nfs/dbraw/zinc/14/70/58/431147058.db2.gz YWAFGHSJRCGAQB-IEBWSBKVSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010205 431147062 /nfs/dbraw/zinc/14/70/62/431147062.db2.gz YWAFGHSJRCGAQB-IEBWSBKVSA-N 2 1 320.452 2.678 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659858470 431152677 /nfs/dbraw/zinc/15/26/77/431152677.db2.gz DNWALDRGAZIRGI-QFBILLFUSA-N 2 1 320.477 2.706 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858470 431152689 /nfs/dbraw/zinc/15/26/89/431152689.db2.gz DNWALDRGAZIRGI-QFBILLFUSA-N 2 1 320.477 2.706 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659858470 431152693 /nfs/dbraw/zinc/15/26/93/431152693.db2.gz DNWALDRGAZIRGI-QFBILLFUSA-N 2 1 320.477 2.706 20 0 DFADMP CC(C)C1CCC([NH+]2CCN(C[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC000649549980 431153606 /nfs/dbraw/zinc/15/36/06/431153606.db2.gz ZBHDUOWMFOYEFM-CTWPCTMYSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)C1CCC([NH+]2CCN(C[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC000649549979 431153989 /nfs/dbraw/zinc/15/39/89/431153989.db2.gz ZBHDUOWMFOYEFM-ACBHZAAOSA-N 2 1 307.526 2.913 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659858475 431155112 /nfs/dbraw/zinc/15/51/12/431155112.db2.gz DNWALDRGAZIRGI-VQIMIIECSA-N 2 1 320.477 2.706 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000659858475 431155128 /nfs/dbraw/zinc/15/51/28/431155128.db2.gz DNWALDRGAZIRGI-VQIMIIECSA-N 2 1 320.477 2.706 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659858475 431155132 /nfs/dbraw/zinc/15/51/32/431155132.db2.gz DNWALDRGAZIRGI-VQIMIIECSA-N 2 1 320.477 2.706 20 0 DFADMP [NH3+]CC1(CC(=O)N[C@H]2CC[N@H+](C3CCCCC3)C2)CCCCC1 ZINC000662668675 431156253 /nfs/dbraw/zinc/15/62/53/431156253.db2.gz PAZCKKCPLZBVMY-INIZCTEOSA-N 2 1 321.509 2.809 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662676179 431158713 /nfs/dbraw/zinc/15/87/13/431158713.db2.gz SRSVBHGPRGGEEE-QGZVFWFLSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1ccc(C)c(C[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)c1 ZINC000649624474 431205658 /nfs/dbraw/zinc/20/56/58/431205658.db2.gz FYINKPBHLMQEGP-UHFFFAOYSA-N 2 1 302.462 2.630 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]([NH3+])C(C)C)cc1 ZINC000646175253 431215327 /nfs/dbraw/zinc/21/53/27/431215327.db2.gz PIXSKSATZZIDDI-DYVFJYSZSA-N 2 1 314.433 2.731 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659988602 431224113 /nfs/dbraw/zinc/22/41/13/431224113.db2.gz YSWANGYQEMHSBG-JZXOWHBKSA-N 2 1 304.482 2.634 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000659988602 431224119 /nfs/dbraw/zinc/22/41/19/431224119.db2.gz YSWANGYQEMHSBG-JZXOWHBKSA-N 2 1 304.482 2.634 20 0 DFADMP [NH3+][C@@H](CC1CCCCC1)C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663002306 431254399 /nfs/dbraw/zinc/25/43/99/431254399.db2.gz CYFQHXMGGAGLEA-ROUUACIJSA-N 2 1 321.509 2.522 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)Oc2ccccc21 ZINC000666616081 431298782 /nfs/dbraw/zinc/29/87/82/431298782.db2.gz JZPYAKJXYPENNJ-BBWFWOEESA-N 2 1 317.477 2.594 20 0 DFADMP C[C@H]1CN(C[C@H](O)C[N@@H+](C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746572 431269901 /nfs/dbraw/zinc/26/99/01/431269901.db2.gz CKNOHMRPTLGDCC-SUMWQHHRSA-N 2 1 322.880 2.757 20 0 DFADMP C[C@H]1C[N@H+](C[C@H](O)CN(C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746572 431269907 /nfs/dbraw/zinc/26/99/07/431269907.db2.gz CKNOHMRPTLGDCC-SUMWQHHRSA-N 2 1 322.880 2.757 20 0 DFADMP C[C@H]1C[N@@H+](C[C@H](O)CN(C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746572 431269910 /nfs/dbraw/zinc/26/99/10/431269910.db2.gz CKNOHMRPTLGDCC-SUMWQHHRSA-N 2 1 322.880 2.757 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]CC3)c2C1 ZINC000653114351 431270166 /nfs/dbraw/zinc/27/01/66/431270166.db2.gz FNKFOVGGWUYFMU-CQSZACIVSA-N 2 1 301.434 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[NH2+]CC3)c2C1 ZINC000653114351 431270172 /nfs/dbraw/zinc/27/01/72/431270172.db2.gz FNKFOVGGWUYFMU-CQSZACIVSA-N 2 1 301.434 2.740 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[C@@H](C3CC3)[NH2+]2)C1 ZINC000653119521 431271284 /nfs/dbraw/zinc/27/12/84/431271284.db2.gz MNCJMUZOBAOYOA-HYVNUMGLSA-N 2 1 321.509 2.534 20 0 DFADMP c1nc(C2CC2)ncc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344315 431374122 /nfs/dbraw/zinc/37/41/22/431374122.db2.gz RIWIZMXTCPMWTB-OAHLLOKOSA-N 2 1 300.450 2.566 20 0 DFADMP c1nc(C2CC2)ncc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344315 431374129 /nfs/dbraw/zinc/37/41/29/431374129.db2.gz RIWIZMXTCPMWTB-OAHLLOKOSA-N 2 1 300.450 2.566 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000663345380 431375291 /nfs/dbraw/zinc/37/52/91/431375291.db2.gz JFXJVCPTROJHII-QGZVFWFLSA-N 2 1 317.477 2.919 20 0 DFADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663345058 431375692 /nfs/dbraw/zinc/37/56/92/431375692.db2.gz GHFBVZPSAITMDE-QGZVFWFLSA-N 2 1 315.461 2.857 20 0 DFADMP CC(=O)Nc1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345058 431375697 /nfs/dbraw/zinc/37/56/97/431375697.db2.gz GHFBVZPSAITMDE-QGZVFWFLSA-N 2 1 315.461 2.857 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@@H]2CCOC2)cc1 ZINC000656407940 431379220 /nfs/dbraw/zinc/37/92/20/431379220.db2.gz VCXJUPNYOCRUJT-UTBUEMAESA-N 2 1 312.457 2.618 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2[C@@H]2CCOC2)cc1 ZINC000656407940 431379227 /nfs/dbraw/zinc/37/92/27/431379227.db2.gz VCXJUPNYOCRUJT-UTBUEMAESA-N 2 1 312.457 2.618 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2[C@@H]2CCOC2)cc1 ZINC000656407940 431379231 /nfs/dbraw/zinc/37/92/31/431379231.db2.gz VCXJUPNYOCRUJT-UTBUEMAESA-N 2 1 312.457 2.618 20 0 DFADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000663359439 431384581 /nfs/dbraw/zinc/38/45/81/431384581.db2.gz LOOBNUCPXBMUGV-INIZCTEOSA-N 2 1 303.450 2.504 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666858054 431385973 /nfs/dbraw/zinc/38/59/73/431385973.db2.gz VJHQZEPUIYRBQX-INIZCTEOSA-N 2 1 302.397 2.552 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(SC)cc1OC ZINC000666855409 431386548 /nfs/dbraw/zinc/38/65/48/431386548.db2.gz QGZZBDUCLPJLKT-CYBMUJFWSA-N 2 1 310.463 2.657 20 0 DFADMP Fc1ccc(CC[NH+]2CCC(N[C@H]3CCC[NH2+]CC3)CC2)cc1 ZINC000666858041 431387441 /nfs/dbraw/zinc/38/74/41/431387441.db2.gz ULGUWDPALNOAOQ-SFHVURJKSA-N 2 1 319.468 2.564 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](n3cnc4c3CCCC4)C2)nc(C)n1 ZINC000660340877 431389598 /nfs/dbraw/zinc/38/95/98/431389598.db2.gz ZWHUJJQICOVIRD-INIZCTEOSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1cc(CN2CC[C@H](n3cnc4c3CCCC4)C2)nc(C)n1 ZINC000660340877 431389603 /nfs/dbraw/zinc/38/96/03/431389603.db2.gz ZWHUJJQICOVIRD-INIZCTEOSA-N 2 1 311.433 2.616 20 0 DFADMP C[C@H](Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[C@@H]1CCC[NH2+]C1 ZINC000653471994 431390841 /nfs/dbraw/zinc/39/08/41/431390841.db2.gz CNFOCNKTMGCRGN-LSDHHAIUSA-N 2 1 317.481 2.903 20 0 DFADMP CN(CC(C)(C)C[NH3+])c1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000653472046 431391205 /nfs/dbraw/zinc/39/12/05/431391205.db2.gz DPGZHDHQFSXUHR-UHFFFAOYSA-N 2 1 305.470 2.524 20 0 DFADMP Cc1cc(CO)cc(NCCC[N@@H+]2CCc3ccccc3C2)[nH+]1 ZINC000663383784 431398670 /nfs/dbraw/zinc/39/86/70/431398670.db2.gz JTYSHMDGHOYRFR-UHFFFAOYSA-N 2 1 311.429 2.743 20 0 DFADMP Cc1cc(CO)cc(NCCC[N@H+]2CCc3ccccc3C2)[nH+]1 ZINC000663383784 431398676 /nfs/dbraw/zinc/39/86/76/431398676.db2.gz JTYSHMDGHOYRFR-UHFFFAOYSA-N 2 1 311.429 2.743 20 0 DFADMP Clc1ccc([C@@H](C2CCOCC2)[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000653501798 431404740 /nfs/dbraw/zinc/40/47/40/431404740.db2.gz IPBQGXFTQGTWSQ-JZXOWHBKSA-N 2 1 320.864 2.959 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995391 431438538 /nfs/dbraw/zinc/43/85/38/431438538.db2.gz MRKKDIDIJBFNRC-QRQLOZEOSA-N 2 1 313.489 2.771 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995391 431438544 /nfs/dbraw/zinc/43/85/44/431438544.db2.gz MRKKDIDIJBFNRC-QRQLOZEOSA-N 2 1 313.489 2.771 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474684 431439172 /nfs/dbraw/zinc/43/91/72/431439172.db2.gz PGYNGEGSSVQHRY-BXUZGUMPSA-N 2 1 301.356 2.920 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@H](C)C1 ZINC000663474684 431439176 /nfs/dbraw/zinc/43/91/76/431439176.db2.gz PGYNGEGSSVQHRY-BXUZGUMPSA-N 2 1 301.356 2.920 20 0 DFADMP Cc1cc(C(F)(F)F)cc(N2CCC(OCCC[NH3+])CC2)[nH+]1 ZINC000656606052 431445580 /nfs/dbraw/zinc/44/55/80/431445580.db2.gz LFKLETKHYFIDPH-UHFFFAOYSA-N 2 1 317.355 2.743 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C12CCCC2 ZINC000366730052 279816904 /nfs/dbraw/zinc/81/69/04/279816904.db2.gz NJUVJXWBNMFNMJ-ARFHVFGLSA-N 2 1 303.450 2.773 20 0 DFADMP C[NH2+]C[C@@H](C)[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000663510008 431452309 /nfs/dbraw/zinc/45/23/09/431452309.db2.gz CCTLATIMGWYNRE-VHSXEESVSA-N 2 1 303.219 2.717 20 0 DFADMP C[NH2+]CCC[N@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000667055270 431462093 /nfs/dbraw/zinc/46/20/93/431462093.db2.gz GHXTUOLGZYUMEO-UHFFFAOYSA-N 2 1 312.417 2.875 20 0 DFADMP C[NH2+]CCC[N@@H+](C)Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000667055270 431462096 /nfs/dbraw/zinc/46/20/96/431462096.db2.gz GHXTUOLGZYUMEO-UHFFFAOYSA-N 2 1 312.417 2.875 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCCC[NH+](C)CC(C)C)c1ccccc1 ZINC000650180385 431477266 /nfs/dbraw/zinc/47/72/66/431477266.db2.gz SBLGHHNMHSNPKK-GOSISDBHSA-N 2 1 319.493 2.774 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@H+](C)CC(C)C)c1ccccc1 ZINC000650180385 431477271 /nfs/dbraw/zinc/47/72/71/431477271.db2.gz SBLGHHNMHSNPKK-GOSISDBHSA-N 2 1 319.493 2.774 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCCC[N@@H+](C)CC(C)C)c1ccccc1 ZINC000650180385 431477274 /nfs/dbraw/zinc/47/72/74/431477274.db2.gz SBLGHHNMHSNPKK-GOSISDBHSA-N 2 1 319.493 2.774 20 0 DFADMP CC1(C)C[C@H]([NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CO1 ZINC000660433992 431427092 /nfs/dbraw/zinc/42/70/92/431427092.db2.gz DDCBYFLBOAYMNK-INIZCTEOSA-N 2 1 303.450 2.966 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CCC[NH+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000663466069 431430980 /nfs/dbraw/zinc/43/09/80/431430980.db2.gz NTMRVZFCPILBCM-ZSYWTGECSA-N 2 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000663466069 431430984 /nfs/dbraw/zinc/43/09/84/431430984.db2.gz NTMRVZFCPILBCM-ZSYWTGECSA-N 2 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000663466069 431430990 /nfs/dbraw/zinc/43/09/90/431430990.db2.gz NTMRVZFCPILBCM-ZSYWTGECSA-N 2 1 305.510 2.571 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000663466069 431430994 /nfs/dbraw/zinc/43/09/94/431430994.db2.gz NTMRVZFCPILBCM-ZSYWTGECSA-N 3 1 305.510 2.571 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[NH+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000663466069 431431002 /nfs/dbraw/zinc/43/10/02/431431002.db2.gz NTMRVZFCPILBCM-ZSYWTGECSA-N 3 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000663466069 431431005 /nfs/dbraw/zinc/43/10/05/431431005.db2.gz NTMRVZFCPILBCM-ZSYWTGECSA-N 3 1 305.510 2.571 20 0 DFADMP C[NH+]1CC[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]2CCC[C@H]21 ZINC000663466069 431431013 /nfs/dbraw/zinc/43/10/13/431431013.db2.gz NTMRVZFCPILBCM-ZSYWTGECSA-N 3 1 305.510 2.571 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466474 431433317 /nfs/dbraw/zinc/43/33/17/431433317.db2.gz UHAHCXHBDDFROX-RDJZCZTQSA-N 2 1 302.466 2.509 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466474 431433323 /nfs/dbraw/zinc/43/33/23/431433323.db2.gz UHAHCXHBDDFROX-RDJZCZTQSA-N 2 1 302.466 2.509 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@H]2CCCO[C@@H]21 ZINC000663471823 431434449 /nfs/dbraw/zinc/43/44/49/431434449.db2.gz YNWYLAJMFXREBE-MLHJIOFPSA-N 2 1 306.494 2.902 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]2CCCO[C@@H]21 ZINC000663471822 431436466 /nfs/dbraw/zinc/43/64/66/431436466.db2.gz YNWYLAJMFXREBE-FJIDUMEYSA-N 2 1 306.494 2.902 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)n1 ZINC000656783669 431519997 /nfs/dbraw/zinc/51/99/97/431519997.db2.gz SXEMKRTXVYVIEZ-QGZVFWFLSA-N 2 1 317.477 2.919 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)n1 ZINC000656783668 431520058 /nfs/dbraw/zinc/52/00/58/431520058.db2.gz SXEMKRTXVYVIEZ-KRWDZBQOSA-N 2 1 317.477 2.919 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656783797 431520113 /nfs/dbraw/zinc/52/01/13/431520113.db2.gz UMGIXEXJCXQAHY-MRXNPFEDSA-N 2 1 318.509 2.757 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656781999 431520460 /nfs/dbraw/zinc/52/04/60/431520460.db2.gz CBMKUXKKEFBADC-INIZCTEOSA-N 2 1 303.450 2.610 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000656784567 431520886 /nfs/dbraw/zinc/52/08/86/431520886.db2.gz FMEFMVYJKPMSDY-INIZCTEOSA-N 2 1 303.450 2.692 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC000656786400 431522176 /nfs/dbraw/zinc/52/21/76/431522176.db2.gz SDJOZHLTXQMEEF-INIZCTEOSA-N 2 1 316.445 2.669 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1O ZINC000656784763 431523275 /nfs/dbraw/zinc/52/32/75/431523275.db2.gz HAUCWYLZGMQZIN-MRXNPFEDSA-N 2 1 304.434 2.612 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCc2oc(-c3ccccc3)cc2C1 ZINC000653778146 431525027 /nfs/dbraw/zinc/52/50/27/431525027.db2.gz GULDEDJWMPELCG-KRWDZBQOSA-N 2 1 314.429 2.617 20 0 DFADMP CC[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CCO1 ZINC000647249142 431528463 /nfs/dbraw/zinc/52/84/63/431528463.db2.gz DRBUQBJMUPLIAL-XWSJACJDSA-N 2 1 302.462 2.879 20 0 DFADMP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC000656694796 431482607 /nfs/dbraw/zinc/48/26/07/431482607.db2.gz VDLVFDKDPYZHMB-WMZOPIPTSA-N 2 1 308.466 2.683 20 0 DFADMP COc1ccc([C@@H]([NH2+]C[C@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000656694796 431482610 /nfs/dbraw/zinc/48/26/10/431482610.db2.gz VDLVFDKDPYZHMB-WMZOPIPTSA-N 2 1 308.466 2.683 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000656714362 431490980 /nfs/dbraw/zinc/49/09/80/431490980.db2.gz HNUDTTIQXBXYQN-JKSUJKDBSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@]1(C)CC1(F)F ZINC000656714362 431490983 /nfs/dbraw/zinc/49/09/83/431490983.db2.gz HNUDTTIQXBXYQN-JKSUJKDBSA-N 2 1 312.404 2.504 20 0 DFADMP Cc1cc(NC(=O)NCCC[N@@H+](C)CC(C)C)cn2cc[nH+]c12 ZINC000650230413 431493785 /nfs/dbraw/zinc/49/37/85/431493785.db2.gz IBBVSCYJZPNUAM-UHFFFAOYSA-N 2 1 317.437 2.742 20 0 DFADMP Cc1cc(NC(=O)NCCC[N@H+](C)CC(C)C)cn2cc[nH+]c12 ZINC000650230413 431493793 /nfs/dbraw/zinc/49/37/93/431493793.db2.gz IBBVSCYJZPNUAM-UHFFFAOYSA-N 2 1 317.437 2.742 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(C)(C)O ZINC000647178529 431494886 /nfs/dbraw/zinc/49/48/86/431494886.db2.gz XJYKLGFHCSTKMG-RDJZCZTQSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(C)(C)O ZINC000647178529 431494891 /nfs/dbraw/zinc/49/48/91/431494891.db2.gz XJYKLGFHCSTKMG-RDJZCZTQSA-N 2 1 302.462 2.933 20 0 DFADMP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174604 431495827 /nfs/dbraw/zinc/49/58/27/431495827.db2.gz HCTSWBHDLXWWAI-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174604 431495836 /nfs/dbraw/zinc/49/58/36/431495836.db2.gz HCTSWBHDLXWWAI-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP C[N@@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174604 431495843 /nfs/dbraw/zinc/49/58/43/431495843.db2.gz HCTSWBHDLXWWAI-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP C[N@H+]1CCC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174604 431495852 /nfs/dbraw/zinc/49/58/52/431495852.db2.gz HCTSWBHDLXWWAI-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174604 431495860 /nfs/dbraw/zinc/49/58/60/431495860.db2.gz HCTSWBHDLXWWAI-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174604 431495865 /nfs/dbraw/zinc/49/58/65/431495865.db2.gz HCTSWBHDLXWWAI-MOPGFXCFSA-N 2 1 313.489 2.867 20 0 DFADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647197904 431506600 /nfs/dbraw/zinc/50/66/00/431506600.db2.gz ULVYYVHMOACLOO-CGTJXYLNSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647197904 431506608 /nfs/dbraw/zinc/50/66/08/431506608.db2.gz ULVYYVHMOACLOO-CGTJXYLNSA-N 2 1 300.446 2.951 20 0 DFADMP CC(C)c1ccc(C[N@@H+](C)CCCn2ccnc2)c(O)c(=O)c1 ZINC000663829391 431556481 /nfs/dbraw/zinc/55/64/81/431556481.db2.gz CWAFEAGSNUILQM-UHFFFAOYSA-N 2 1 315.417 2.594 20 0 DFADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344742 431561037 /nfs/dbraw/zinc/56/10/37/431561037.db2.gz YHPDCRIJVNECBN-BJZITVGISA-N 2 1 312.461 2.725 20 0 DFADMP Cc1nn(C)cc1[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344742 431561044 /nfs/dbraw/zinc/56/10/44/431561044.db2.gz YHPDCRIJVNECBN-BJZITVGISA-N 2 1 312.461 2.725 20 0 DFADMP C[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659102 431534634 /nfs/dbraw/zinc/53/46/34/431534634.db2.gz MWPCXSGPRNJAIP-LJQANCHMSA-N 2 1 311.429 2.858 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659102 431534638 /nfs/dbraw/zinc/53/46/38/431534638.db2.gz MWPCXSGPRNJAIP-LJQANCHMSA-N 2 1 311.429 2.858 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659102 431534641 /nfs/dbraw/zinc/53/46/41/431534641.db2.gz MWPCXSGPRNJAIP-LJQANCHMSA-N 2 1 311.429 2.858 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1cc3ccccc3[nH]c1=O)C2 ZINC000660659102 431534646 /nfs/dbraw/zinc/53/46/46/431534646.db2.gz MWPCXSGPRNJAIP-LJQANCHMSA-N 2 1 311.429 2.858 20 0 DFADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000647284228 431537230 /nfs/dbraw/zinc/53/72/30/431537230.db2.gz IJUGJBMPIMQOKL-MJGOQNOKSA-N 2 1 320.477 2.829 20 0 DFADMP CC(C)C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1 ZINC000647288452 431538376 /nfs/dbraw/zinc/53/83/76/431538376.db2.gz DYWGLIDTXBVWNP-MOPGFXCFSA-N 2 1 319.493 2.995 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000660665918 431538377 /nfs/dbraw/zinc/53/83/77/431538377.db2.gz ZFEYWPDGCBEDDW-RTBURBONSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000660665918 431538384 /nfs/dbraw/zinc/53/83/84/431538384.db2.gz ZFEYWPDGCBEDDW-RTBURBONSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660665918 431538392 /nfs/dbraw/zinc/53/83/92/431538392.db2.gz ZFEYWPDGCBEDDW-RTBURBONSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000660665915 431539251 /nfs/dbraw/zinc/53/92/51/431539251.db2.gz ZFEYWPDGCBEDDW-MOPGFXCFSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000660665915 431539257 /nfs/dbraw/zinc/53/92/57/431539257.db2.gz ZFEYWPDGCBEDDW-MOPGFXCFSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000660665915 431539264 /nfs/dbraw/zinc/53/92/64/431539264.db2.gz ZFEYWPDGCBEDDW-MOPGFXCFSA-N 2 1 302.462 2.662 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCCN([C@@H]1CC[NH+](Cc3ccccc3)C1)C2 ZINC000660664169 431539826 /nfs/dbraw/zinc/53/98/26/431539826.db2.gz QIGDAGXZVINDMJ-UXHICEINSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCCN([C@@H]1CC[N@H+](Cc3ccccc3)C1)C2 ZINC000660664169 431539832 /nfs/dbraw/zinc/53/98/32/431539832.db2.gz QIGDAGXZVINDMJ-UXHICEINSA-N 2 1 313.489 2.679 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCCN([C@@H]1CC[N@@H+](Cc3ccccc3)C1)C2 ZINC000660664169 431539835 /nfs/dbraw/zinc/53/98/35/431539835.db2.gz QIGDAGXZVINDMJ-UXHICEINSA-N 2 1 313.489 2.679 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CSc3ccccc3O2)[C@@H](C)C1 ZINC000647314136 431546727 /nfs/dbraw/zinc/54/67/27/431546727.db2.gz YZAFPDATLCXJOG-KKUMJFAQSA-N 2 1 306.475 2.860 20 0 DFADMP Cc1cc(CO)cc(N[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000663806468 431548538 /nfs/dbraw/zinc/54/85/38/431548538.db2.gz ZTSGLIOXMMTRDR-KDOFPFPSSA-N 2 1 311.429 2.815 20 0 DFADMP C[C@]1(CO)CCC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305147755 280161159 /nfs/dbraw/zinc/16/11/59/280161159.db2.gz NWVWIZIOBFVAOE-VQTJNVASSA-N 2 1 316.489 2.834 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479433 431601239 /nfs/dbraw/zinc/60/12/39/431601239.db2.gz GSWDHADSCPCJJZ-MSOLQXFVSA-N 2 1 316.493 2.890 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cn1 ZINC000647479433 431601247 /nfs/dbraw/zinc/60/12/47/431601247.db2.gz GSWDHADSCPCJJZ-MSOLQXFVSA-N 2 1 316.493 2.890 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480201 431601982 /nfs/dbraw/zinc/60/19/82/431601982.db2.gz GSRGHAZNQSMKGG-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647480578 431602070 /nfs/dbraw/zinc/60/20/70/431602070.db2.gz RPIPZYVPNRAHIZ-WMZOPIPTSA-N 2 1 304.482 2.874 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1C ZINC000647480578 431602077 /nfs/dbraw/zinc/60/20/77/431602077.db2.gz RPIPZYVPNRAHIZ-WMZOPIPTSA-N 2 1 304.482 2.874 20 0 DFADMP COCCOc1ccccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480694 431602204 /nfs/dbraw/zinc/60/22/04/431602204.db2.gz XLALKDFRISFJCP-WMZOPIPTSA-N 2 1 318.461 2.676 20 0 DFADMP COCCOc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480694 431602209 /nfs/dbraw/zinc/60/22/09/431602209.db2.gz XLALKDFRISFJCP-WMZOPIPTSA-N 2 1 318.461 2.676 20 0 DFADMP c1cn(-c2csc(C[N@@H+](C3CC3)C3CC[NH2+]CC3)c2)cn1 ZINC000647482535 431602511 /nfs/dbraw/zinc/60/25/11/431602511.db2.gz NAVLVYKRYSJNNY-UHFFFAOYSA-N 2 1 302.447 2.650 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480200 431602814 /nfs/dbraw/zinc/60/28/14/431602814.db2.gz GSRGHAZNQSMKGG-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)c2)cn1 ZINC000647479421 431603384 /nfs/dbraw/zinc/60/33/84/431603384.db2.gz GMNBIJRAWOEXMQ-PBHICJAKSA-N 2 1 316.474 2.898 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C/C=C\c3ccccc3)C2)C1 ZINC000650706571 431652665 /nfs/dbraw/zinc/65/26/65/431652665.db2.gz NPGSOTCCIONIQN-IBTIYMBQSA-N 2 1 300.446 2.918 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000650705680 431652964 /nfs/dbraw/zinc/65/29/64/431652964.db2.gz QPWDKBOEFOXBEQ-FRFSOERESA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000650705683 431653335 /nfs/dbraw/zinc/65/33/35/431653335.db2.gz QPWDKBOEFOXBEQ-YSVLISHTSA-N 2 1 310.388 2.683 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000650706474 431654495 /nfs/dbraw/zinc/65/44/95/431654495.db2.gz LQHKEOLCBNBRAF-VDZJLULYSA-N 2 1 318.461 2.722 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705529 431654958 /nfs/dbraw/zinc/65/49/58/431654958.db2.gz KORYBVZDMRMLSA-JENIJYKNSA-N 2 1 318.461 2.804 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1cccs1)C2 ZINC000650708607 431655706 /nfs/dbraw/zinc/65/57/06/431655706.db2.gz GYLFZCSEDDOWLJ-BBRMVZONSA-N 2 1 302.447 2.699 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cccc3c2OCCCO3)[C@@H]1CC[NH3+] ZINC000650711027 431655726 /nfs/dbraw/zinc/65/57/26/431655726.db2.gz GOYKEANZEWAESZ-GOEBONIOSA-N 2 1 304.434 2.797 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1 ZINC000650710879 431657310 /nfs/dbraw/zinc/65/73/10/431657310.db2.gz BLTTWCBVEFMPBR-QAPCUYQASA-N 2 1 306.450 2.661 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@@H]1[NH3+] ZINC000647497850 431607119 /nfs/dbraw/zinc/60/71/19/431607119.db2.gz YECWHQLCMVGTCN-DOMZBBRYSA-N 2 1 304.463 2.708 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cn(-c3cccc(F)c3)nc2C)CC[C@@H]1[NH3+] ZINC000647497457 431607398 /nfs/dbraw/zinc/60/73/98/431607398.db2.gz IKMLDZBLJZSOLM-KSSFIOAISA-N 2 1 316.424 2.879 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cn(-c3cccc(F)c3)nc2C)CC[C@@H]1[NH3+] ZINC000647497457 431607407 /nfs/dbraw/zinc/60/74/07/431607407.db2.gz IKMLDZBLJZSOLM-KSSFIOAISA-N 2 1 316.424 2.879 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CC[C@H]1[NH3+] ZINC000647498532 431608607 /nfs/dbraw/zinc/60/86/07/431608607.db2.gz JTYFYWPEAHTBPX-CXAGYDPISA-N 2 1 314.433 2.645 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000647498704 431608901 /nfs/dbraw/zinc/60/89/01/431608901.db2.gz NUMPPVUFXBOQBX-GXTWGEPZSA-N 2 1 304.463 2.708 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cccs2)CC[C@H]1[NH3+] ZINC000647498704 431608905 /nfs/dbraw/zinc/60/89/05/431608905.db2.gz NUMPPVUFXBOQBX-GXTWGEPZSA-N 2 1 304.463 2.708 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CCC(C)([NH3+])CC1 ZINC000647531159 431616976 /nfs/dbraw/zinc/61/69/76/431616976.db2.gz DPGSSVQCCQQWGH-UHFFFAOYSA-N 2 1 303.494 2.958 20 0 DFADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nn1C ZINC000647544532 431624163 /nfs/dbraw/zinc/62/41/63/431624163.db2.gz NRVWHDKQCZHTAZ-KBPBESRZSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1c(Cl)c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nn1C ZINC000647544532 431624167 /nfs/dbraw/zinc/62/41/67/431624167.db2.gz NRVWHDKQCZHTAZ-KBPBESRZSA-N 2 1 310.873 2.594 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc(OC)c1 ZINC000647544274 431624320 /nfs/dbraw/zinc/62/43/20/431624320.db2.gz YWOOGFMGRBLVND-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c2c(c1)OCCO2 ZINC000647544168 431624399 /nfs/dbraw/zinc/62/43/99/431624399.db2.gz XSBYUNKTSWARFZ-JKSUJKDBSA-N 2 1 316.445 2.669 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1O ZINC000647543877 431624998 /nfs/dbraw/zinc/62/49/98/431624998.db2.gz TVUJASFXAAUPAE-CVEARBPZSA-N 2 1 304.434 2.612 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c(C)n1 ZINC000647544195 431625265 /nfs/dbraw/zinc/62/52/65/431625265.db2.gz YBBFBJBZNIDAQR-IAGOWNOFSA-N 2 1 317.477 2.919 20 0 DFADMP Fc1cccn2cc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC000647543750 431625371 /nfs/dbraw/zinc/62/53/71/431625371.db2.gz RPKKHWNNXBSEJZ-GJZGRUSLSA-N 2 1 316.424 2.685 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543196 431625460 /nfs/dbraw/zinc/62/54/60/431625460.db2.gz JATUUPYLVSZQMW-SJORKVTESA-N 2 1 312.461 2.854 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647543307 431626044 /nfs/dbraw/zinc/62/60/44/431626044.db2.gz KXFWDWZRHBMNQK-HZPDHXFCSA-N 2 1 318.461 2.915 20 0 DFADMP c1cn(-c2csc(C[NH2+][C@H]3CC[NH2+]C34CCCC4)c2)cn1 ZINC000647553958 431631114 /nfs/dbraw/zinc/63/11/14/431631114.db2.gz NVZPFOFGEOXKJL-HNNXBMFYSA-N 2 1 302.447 2.698 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(F)c1 ZINC000650724344 431668177 /nfs/dbraw/zinc/66/81/77/431668177.db2.gz DESWPMPNYCEKAU-QGTPRVQTSA-N 2 1 322.424 2.695 20 0 DFADMP CC(C)n1ccnc1C[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000657315509 431669237 /nfs/dbraw/zinc/66/92/37/431669237.db2.gz ODLOZWVJYLMORE-UHFFFAOYSA-N 2 1 316.449 2.694 20 0 DFADMP C[C@H](C[NH2+]Cc1c(C(F)(F)F)cnn1C)C[NH+]1CCCCC1 ZINC000657317106 431674404 /nfs/dbraw/zinc/67/44/04/431674404.db2.gz QFWPAEJFKUTWDH-GFCCVEGCSA-N 2 1 318.387 2.651 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744377 431674912 /nfs/dbraw/zinc/67/49/12/431674912.db2.gz MQUWYSHFEIFFAF-WMZOPIPTSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(C[NH3+])CC1 ZINC000650744377 431674915 /nfs/dbraw/zinc/67/49/15/431674915.db2.gz MQUWYSHFEIFFAF-WMZOPIPTSA-N 2 1 301.478 2.616 20 0 DFADMP c1c(CNC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)nn2c1CCC2 ZINC000657335447 431682309 /nfs/dbraw/zinc/68/23/09/431682309.db2.gz QLZLAZFEWRHEGO-GOSISDBHSA-N 2 1 324.472 2.831 20 0 DFADMP Fc1c(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cccc1OC1CC1 ZINC000657340551 431687906 /nfs/dbraw/zinc/68/79/06/431687906.db2.gz PTLGUTMVRXVFJD-ZDUSSCGKSA-N 2 1 301.365 2.668 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000647793591 431689364 /nfs/dbraw/zinc/68/93/64/431689364.db2.gz BCAZZKCTDXBIPA-OBVSXPTNSA-N 3 1 305.510 2.617 20 0 DFADMP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657348179 431693083 /nfs/dbraw/zinc/69/30/83/431693083.db2.gz NAIALWKLJHPXKX-HNNXBMFYSA-N 2 1 304.482 2.898 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C3CCC3)cnn2C)C1 ZINC000657348179 431693091 /nfs/dbraw/zinc/69/30/91/431693091.db2.gz NAIALWKLJHPXKX-HNNXBMFYSA-N 2 1 304.482 2.898 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000647809460 431696505 /nfs/dbraw/zinc/69/65/05/431696505.db2.gz UXVSOKZLUFBEQA-CYBMUJFWSA-N 2 1 312.417 2.681 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000657357829 431698906 /nfs/dbraw/zinc/69/89/06/431698906.db2.gz FKSAXEAMZWSIHR-NVXWUHKLSA-N 2 1 306.450 2.532 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000657357830 431699123 /nfs/dbraw/zinc/69/91/23/431699123.db2.gz FKSAXEAMZWSIHR-RDJZCZTQSA-N 2 1 306.450 2.532 20 0 DFADMP CC[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)CC1 ZINC000657359712 431699678 /nfs/dbraw/zinc/69/96/78/431699678.db2.gz XOQCGUSYIIUVNB-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNCc1ccnn1-c1cc[nH+]cc1 ZINC000657359048 431700174 /nfs/dbraw/zinc/70/01/74/431700174.db2.gz QDZKCRWQDPELSE-INIZCTEOSA-N 2 1 313.449 2.621 20 0 DFADMP CCCn1nccc1C[NH2+][C@H]1CC[N@H+](CCCOCC)C[C@@H]1C ZINC000657362811 431704013 /nfs/dbraw/zinc/70/40/13/431704013.db2.gz IRRBJOSSYIFBQL-WMZOPIPTSA-N 2 1 322.497 2.520 20 0 DFADMP CCCn1nccc1C[NH2+][C@H]1CC[N@@H+](CCCOCC)C[C@@H]1C ZINC000657362811 431704017 /nfs/dbraw/zinc/70/40/17/431704017.db2.gz IRRBJOSSYIFBQL-WMZOPIPTSA-N 2 1 322.497 2.520 20 0 DFADMP Cc1cc(CO)cc(NC2CC[NH+](Cc3ccccc3)CC2)[nH+]1 ZINC000647845183 431705902 /nfs/dbraw/zinc/70/59/02/431705902.db2.gz UMCJAQUODCZOJG-UHFFFAOYSA-N 2 1 311.429 2.959 20 0 DFADMP O[C@@H]1CC[N@H+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)C1 ZINC000664238375 431709478 /nfs/dbraw/zinc/70/94/78/431709478.db2.gz IDZZZTZBKZYDKD-MRXNPFEDSA-N 2 1 322.412 2.742 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(CNc3[nH]c4ccccc4[nH+]3)cc2)C1 ZINC000664238375 431709485 /nfs/dbraw/zinc/70/94/85/431709485.db2.gz IDZZZTZBKZYDKD-MRXNPFEDSA-N 2 1 322.412 2.742 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+]Cc2ncccc2C(F)(F)F)c(F)c1 ZINC000650718027 431662412 /nfs/dbraw/zinc/66/24/12/431662412.db2.gz VDSJAONRWQXRND-UHFFFAOYSA-N 2 1 313.298 2.988 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000647912757 431726616 /nfs/dbraw/zinc/72/66/16/431726616.db2.gz YWKZBMPTBZNJDJ-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@](C)(C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912757 431726622 /nfs/dbraw/zinc/72/66/22/431726622.db2.gz YWKZBMPTBZNJDJ-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912757 431726626 /nfs/dbraw/zinc/72/66/26/431726626.db2.gz YWKZBMPTBZNJDJ-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@](C)(C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912757 431726633 /nfs/dbraw/zinc/72/66/33/431726633.db2.gz YWKZBMPTBZNJDJ-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@](C)(C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912757 431726636 /nfs/dbraw/zinc/72/66/36/431726636.db2.gz YWKZBMPTBZNJDJ-PKOBYXMFSA-N 2 1 317.477 2.650 20 0 DFADMP CC[C@@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1[NH3+] ZINC000647934954 431737199 /nfs/dbraw/zinc/73/71/99/431737199.db2.gz VLMRTMDBRPJQAR-IAQYHMDHSA-N 2 1 300.805 2.917 20 0 DFADMP CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cnc3n1CCC3)CCO2 ZINC000657437754 431752096 /nfs/dbraw/zinc/75/20/96/431752096.db2.gz UMRHBQIBPYVODP-INIZCTEOSA-N 2 1 313.401 2.841 20 0 DFADMP Cc1ncc(CN[C@@H](C)[C@H](c2ccccc2C)[NH+](C)C)n1C ZINC000657446171 431756331 /nfs/dbraw/zinc/75/63/31/431756331.db2.gz LEXSYAZZAUHLMN-KBXCAEBGSA-N 2 1 300.450 2.818 20 0 DFADMP COc1ccc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977083 431761319 /nfs/dbraw/zinc/76/13/19/431761319.db2.gz XRIVJYXRWZXZDS-ZWKOTPCHSA-N 2 1 302.462 2.949 20 0 DFADMP COc1ccc(CC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977082 431762105 /nfs/dbraw/zinc/76/21/05/431762105.db2.gz XRIVJYXRWZXZDS-ROUUACIJSA-N 2 1 302.462 2.949 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647978265 431762285 /nfs/dbraw/zinc/76/22/85/431762285.db2.gz PBRLNOJYPOGPRK-QZTJIDSGSA-N 2 1 315.461 2.857 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)C(C)C ZINC000647975851 431762787 /nfs/dbraw/zinc/76/27/87/431762787.db2.gz GUIDHGNLNSQCNP-SQNIBIBYSA-N 2 1 323.525 2.732 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647977802 431763019 /nfs/dbraw/zinc/76/30/19/431763019.db2.gz HSWCMHZTMBSXCW-CVEARBPZSA-N 2 1 320.481 2.870 20 0 DFADMP Cc1csc([C@@H]2C[N@H+](CCCC3CC[NH2+]CC3)CCO2)n1 ZINC000647884051 431718658 /nfs/dbraw/zinc/71/86/58/431718658.db2.gz YGXPMOYHMVVHFU-HNNXBMFYSA-N 2 1 309.479 2.605 20 0 DFADMP Cc1csc([C@@H]2C[N@@H+](CCCC3CC[NH2+]CC3)CCO2)n1 ZINC000647884051 431718665 /nfs/dbraw/zinc/71/86/65/431718665.db2.gz YGXPMOYHMVVHFU-HNNXBMFYSA-N 2 1 309.479 2.605 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3c2CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000657388696 431720515 /nfs/dbraw/zinc/72/05/15/431720515.db2.gz OSLZLRMGALVXCC-APWZRJJASA-N 2 1 324.472 2.972 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn3c2CCC3)CC[N@H+]1Cc1ccccc1 ZINC000657388696 431720519 /nfs/dbraw/zinc/72/05/19/431720519.db2.gz OSLZLRMGALVXCC-APWZRJJASA-N 2 1 324.472 2.972 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647902806 431722716 /nfs/dbraw/zinc/72/27/16/431722716.db2.gz CDOIGTVEXZSTTL-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP c1ccc(OCCOCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647901492 431722875 /nfs/dbraw/zinc/72/28/75/431722875.db2.gz PTBLMONZFCHGPW-IEBWSBKVSA-N 2 1 318.461 2.546 20 0 DFADMP CCc1cccc(F)c1C[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072098 431809349 /nfs/dbraw/zinc/80/93/49/431809349.db2.gz LCMKOQWACDHMII-UHFFFAOYSA-N 2 1 306.425 2.685 20 0 DFADMP CCc1cccc(F)c1C[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000648072098 431809353 /nfs/dbraw/zinc/80/93/53/431809353.db2.gz LCMKOQWACDHMII-UHFFFAOYSA-N 2 1 306.425 2.685 20 0 DFADMP Cn1cc(C[N@@H+](C)CCCC2CC[NH2+]CC2)c(C(F)(F)F)n1 ZINC000647990882 431766380 /nfs/dbraw/zinc/76/63/80/431766380.db2.gz SBVATXOCPFALPZ-UHFFFAOYSA-N 2 1 318.387 2.651 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000648002314 431772986 /nfs/dbraw/zinc/77/29/86/431772986.db2.gz NAVAUMWIHWSFDJ-HNNXBMFYSA-N 2 1 316.449 2.762 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)o1 ZINC000648002314 431772990 /nfs/dbraw/zinc/77/29/90/431772990.db2.gz NAVAUMWIHWSFDJ-HNNXBMFYSA-N 2 1 316.449 2.762 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C[C@H]2CCC[N@H+](C)C2)o1 ZINC000648002314 431772996 /nfs/dbraw/zinc/77/29/96/431772996.db2.gz NAVAUMWIHWSFDJ-HNNXBMFYSA-N 2 1 316.449 2.762 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000648002314 431772998 /nfs/dbraw/zinc/77/29/98/431772998.db2.gz NAVAUMWIHWSFDJ-HNNXBMFYSA-N 2 1 316.449 2.762 20 0 DFADMP Cc1ccccc1-n1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)cn1 ZINC000648006557 431775577 /nfs/dbraw/zinc/77/55/77/431775577.db2.gz LGKBRZVKHUQNGB-UHFFFAOYSA-N 2 1 312.461 2.954 20 0 DFADMP C[C@@]1(NCc2cnn3c2CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000657502404 431787072 /nfs/dbraw/zinc/78/70/72/431787072.db2.gz KUDUUWSWHSNJGI-LJQANCHMSA-N 2 1 310.445 2.584 20 0 DFADMP C[C@@]1(NCc2cnn3c2CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000657502404 431787079 /nfs/dbraw/zinc/78/70/79/431787079.db2.gz KUDUUWSWHSNJGI-LJQANCHMSA-N 2 1 310.445 2.584 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657596774 431820789 /nfs/dbraw/zinc/82/07/89/431820789.db2.gz YRVKJPXTMHLJCT-MNEFBYGVSA-N 2 1 302.462 2.922 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657594951 431820924 /nfs/dbraw/zinc/82/09/24/431820924.db2.gz LPDHGGUQCMJXEM-KRWDZBQOSA-N 2 1 316.470 2.913 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657596772 431821025 /nfs/dbraw/zinc/82/10/25/431821025.db2.gz YRVKJPXTMHLJCT-AYOQOUSVSA-N 2 1 302.462 2.922 20 0 DFADMP C[N@@H+]1C[C@H]2[C@@H](CCN2Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000664570338 431821167 /nfs/dbraw/zinc/82/11/67/431821167.db2.gz FLMDMUWPACBUJI-PMACEKPBSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2[C@@H](CC[N@@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000664570338 431821172 /nfs/dbraw/zinc/82/11/72/431821172.db2.gz FLMDMUWPACBUJI-PMACEKPBSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2[C@@H](CC[N@H+]2Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000664570338 431821175 /nfs/dbraw/zinc/82/11/75/431821175.db2.gz FLMDMUWPACBUJI-PMACEKPBSA-N 2 1 313.489 2.808 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657596742 431821261 /nfs/dbraw/zinc/82/12/61/431821261.db2.gz YJYMOWUHBYGWJB-FQEVSTJZSA-N 2 1 310.441 2.851 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C1 ZINC000657596118 431821503 /nfs/dbraw/zinc/82/15/03/431821503.db2.gz LFEXEGPVKKRVGP-QGZVFWFLSA-N 2 1 324.415 2.921 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657596770 431821599 /nfs/dbraw/zinc/82/15/99/431821599.db2.gz YRVKJPXTMHLJCT-ATZDWAIDSA-N 2 1 302.462 2.922 20 0 DFADMP Cc1ccc2c(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)cc(=O)oc2c1 ZINC000261910893 281046487 /nfs/dbraw/zinc/04/64/87/281046487.db2.gz QFLJIFQMOPOSLP-XKQJLSEDSA-N 2 1 312.413 2.661 20 0 DFADMP Cc1cccc2c1CC[C@H]2[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128266690 281272529 /nfs/dbraw/zinc/27/25/29/281272529.db2.gz UIKPIPCDUUZFKP-LJQANCHMSA-N 2 1 301.478 2.600 20 0 DFADMP Cc1ccn(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000365002534 281428854 /nfs/dbraw/zinc/42/88/54/281428854.db2.gz AUZUVFXNTZUEPG-UHFFFAOYSA-N 2 1 301.438 2.814 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000356103467 282024213 /nfs/dbraw/zinc/02/42/13/282024213.db2.gz VEDZIPYRAAMDFB-HZPDHXFCSA-N 2 1 319.493 2.790 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278982206 282034557 /nfs/dbraw/zinc/03/45/57/282034557.db2.gz PBEKLUNZRRRKHU-OLZOCXBDSA-N 2 1 302.447 2.878 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CCc3[nH+]ccn3C1)CCC2 ZINC000278982207 282043691 /nfs/dbraw/zinc/04/36/91/282043691.db2.gz PBEKLUNZRRRKHU-QWHCGFSZSA-N 2 1 302.447 2.878 20 0 DFADMP Fc1ccccc1OCC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414030 289091246 /nfs/dbraw/zinc/09/12/46/289091246.db2.gz JHAYLQMDSPJMNM-HLLBOEOZSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414030 289091247 /nfs/dbraw/zinc/09/12/47/289091247.db2.gz JHAYLQMDSPJMNM-HLLBOEOZSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414030 289091248 /nfs/dbraw/zinc/09/12/48/289091248.db2.gz JHAYLQMDSPJMNM-HLLBOEOZSA-N 2 1 304.409 2.621 20 0 DFADMP Fc1ccccc1OCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363414030 289091249 /nfs/dbraw/zinc/09/12/49/289091249.db2.gz JHAYLQMDSPJMNM-HLLBOEOZSA-N 2 1 304.409 2.621 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000291990618 289352394 /nfs/dbraw/zinc/35/23/94/289352394.db2.gz BCUIDLSKMWVBBW-XJKSGUPXSA-N 2 1 323.868 2.591 20 0 DFADMP C[C@H](N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476721 290019616 /nfs/dbraw/zinc/01/96/16/290019616.db2.gz YCFZICIRGCMSCO-DODZYUBVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476721 290019618 /nfs/dbraw/zinc/01/96/18/290019618.db2.gz YCFZICIRGCMSCO-DODZYUBVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476721 290019619 /nfs/dbraw/zinc/01/96/19/290019619.db2.gz YCFZICIRGCMSCO-DODZYUBVSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476721 290019621 /nfs/dbraw/zinc/01/96/21/290019621.db2.gz YCFZICIRGCMSCO-DODZYUBVSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000358476721 290019623 /nfs/dbraw/zinc/01/96/23/290019623.db2.gz YCFZICIRGCMSCO-DODZYUBVSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358476721 290019625 /nfs/dbraw/zinc/01/96/25/290019625.db2.gz YCFZICIRGCMSCO-DODZYUBVSA-N 3 1 305.510 2.856 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH+]2CCC[C@@H]2C1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000358476721 290019627 /nfs/dbraw/zinc/01/96/27/290019627.db2.gz YCFZICIRGCMSCO-DODZYUBVSA-N 3 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@]3(CCSC3)C2)[C@H]2CCC[C@@H]21 ZINC000353628832 290224572 /nfs/dbraw/zinc/22/45/72/290224572.db2.gz CBGYTFFZRSELGP-UHDSXZAQSA-N 2 1 310.507 2.504 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000436434727 297003176 /nfs/dbraw/zinc/00/31/76/297003176.db2.gz RQLZNQUCTJPERL-CYBMUJFWSA-N 2 1 317.408 2.655 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437102894 297054534 /nfs/dbraw/zinc/05/45/34/297054534.db2.gz ZVADEMHJLRQDPP-WMZOPIPTSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NCC2([NH+](C)C)CCC2)C1 ZINC000437102894 297054537 /nfs/dbraw/zinc/05/45/37/297054537.db2.gz ZVADEMHJLRQDPP-WMZOPIPTSA-N 2 1 301.478 2.896 20 0 DFADMP Cc1nc2c(n1[C@H]1CC[N@@H+](CC[C@H]3CCOC3)C1)CCCC2 ZINC000437976818 297075939 /nfs/dbraw/zinc/07/59/39/297075939.db2.gz JAGVPGBXELBERP-HOTGVXAUSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CC[C@H]3CCOC3)C1)CCCC2 ZINC000437976818 297075942 /nfs/dbraw/zinc/07/59/42/297075942.db2.gz JAGVPGBXELBERP-HOTGVXAUSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CC[C@H]3CCOC3)C1)CCCC2 ZINC000437976818 297075944 /nfs/dbraw/zinc/07/59/44/297075944.db2.gz JAGVPGBXELBERP-HOTGVXAUSA-N 2 1 303.450 2.744 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccsc1)CC1CC[NH+](C)CC1 ZINC000438122004 297081431 /nfs/dbraw/zinc/08/14/31/297081431.db2.gz ZLVLBSXLHWTSSL-UHFFFAOYSA-N 2 1 304.463 2.912 20 0 DFADMP CC(C)C[C@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154357098 295298179 /nfs/dbraw/zinc/29/81/79/295298179.db2.gz VWMZISHDFFAICG-IAGOWNOFSA-N 2 1 312.885 2.809 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)C(=O)NCC(C)(C)C ZINC000155462891 295319077 /nfs/dbraw/zinc/31/90/77/295319077.db2.gz IXVUFBXLUZHBGT-UHFFFAOYSA-N 2 1 308.470 2.502 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CC2(C[NH+]3C[C@@H](C)C[C@H](C)C3)COC2)C1 ZINC000157330123 295347135 /nfs/dbraw/zinc/34/71/35/295347135.db2.gz PFQFHBYITXJHGN-XLAORIBOSA-N 2 1 308.510 2.959 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000158128972 295358837 /nfs/dbraw/zinc/35/88/37/295358837.db2.gz UNGWTGMXTXNCBG-KGLIPLIRSA-N 2 1 315.461 2.909 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1cccc(N2CCOC2=O)c1 ZINC000158167481 295359162 /nfs/dbraw/zinc/35/91/62/295359162.db2.gz ATFCVZGTJKZFTK-GJZGRUSLSA-N 2 1 317.433 2.636 20 0 DFADMP CCCCNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158988153 295370472 /nfs/dbraw/zinc/37/04/72/295370472.db2.gz ZEJIYIJYESBIGS-QGZVFWFLSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@]1(C[NH2+]Cc2csc(Br)c2)CCC[NH2+]C1 ZINC000398021861 295489790 /nfs/dbraw/zinc/48/97/90/295489790.db2.gz AQJWEJGUXDXBMK-LBPRGKRZSA-N 2 1 303.269 2.990 20 0 DFADMP C[C@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000400328843 295497044 /nfs/dbraw/zinc/49/70/44/295497044.db2.gz CGYUQFXQEADJEW-ONGXEEELSA-N 2 1 303.269 2.783 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC3(O)CCCC3)CC2)C[C@H](C)O1 ZINC000438575945 297099641 /nfs/dbraw/zinc/09/96/41/297099641.db2.gz DNNSEVIRVJKWDV-CALCHBBNSA-N 2 1 324.509 2.503 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)sc2C1 ZINC000438907434 297106480 /nfs/dbraw/zinc/10/64/80/297106480.db2.gz OBSHTVCXFJKURK-NWANDNLSSA-N 2 1 321.490 2.567 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3C[C@H]4OCCC[C@@H]34)sc2C1 ZINC000438907434 297106482 /nfs/dbraw/zinc/10/64/82/297106482.db2.gz OBSHTVCXFJKURK-NWANDNLSSA-N 2 1 321.490 2.567 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439831014 297139690 /nfs/dbraw/zinc/13/96/90/297139690.db2.gz BKTRQRJBHQVFQI-NUJGCVRESA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000440145686 297145578 /nfs/dbraw/zinc/14/55/78/297145578.db2.gz AYWISINBBCXJHN-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000440145686 297145579 /nfs/dbraw/zinc/14/55/79/297145579.db2.gz AYWISINBBCXJHN-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000440145686 297145581 /nfs/dbraw/zinc/14/55/81/297145581.db2.gz AYWISINBBCXJHN-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)n[nH]1)C[NH+]1CCCCC1 ZINC000440805783 297165879 /nfs/dbraw/zinc/16/58/79/297165879.db2.gz FGJXNECPBKTJGP-LLVKDONJSA-N 2 1 304.360 2.640 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442757264 297204779 /nfs/dbraw/zinc/20/47/79/297204779.db2.gz LVSOAJYLHVBKFM-KFWWJZLASA-N 2 1 311.429 2.836 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442757264 297204780 /nfs/dbraw/zinc/20/47/80/297204780.db2.gz LVSOAJYLHVBKFM-KFWWJZLASA-N 2 1 311.429 2.836 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000442764700 297205160 /nfs/dbraw/zinc/20/51/60/297205160.db2.gz DAZRTAKFQNSISN-RFGFWPKPSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+]1C[C@H](C[NH3+])C[C@H]1C)c1ccc(Cl)cc1 ZINC000442764700 297205161 /nfs/dbraw/zinc/20/51/61/297205161.db2.gz DAZRTAKFQNSISN-RFGFWPKPSA-N 2 1 323.868 2.575 20 0 DFADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000442873018 297208814 /nfs/dbraw/zinc/20/88/14/297208814.db2.gz KLLAJLSQHWOBTI-KRWDZBQOSA-N 2 1 307.457 2.892 20 0 DFADMP CCC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000442876250 297209162 /nfs/dbraw/zinc/20/91/62/297209162.db2.gz PKBPMXAHVVNBEW-INIZCTEOSA-N 2 1 304.482 2.538 20 0 DFADMP Cc1nn2c(C[N@H+]3CCC[C@H](CC[NH3+])C3)c(C(C)C)nc2s1 ZINC000442922581 297211298 /nfs/dbraw/zinc/21/12/98/297211298.db2.gz OWZFSWQKXOAOAY-CYBMUJFWSA-N 2 1 321.494 2.783 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C1 ZINC000442921425 297211313 /nfs/dbraw/zinc/21/13/13/297211313.db2.gz NEBSTAXTEJUKST-HNNXBMFYSA-N 2 1 312.417 2.830 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000443059581 297213755 /nfs/dbraw/zinc/21/37/55/297213755.db2.gz NDQHOAQYZWETBH-XJKSGUPXSA-N 2 1 321.852 2.506 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3Cl)C2=O)C1 ZINC000443059581 297213756 /nfs/dbraw/zinc/21/37/56/297213756.db2.gz NDQHOAQYZWETBH-XJKSGUPXSA-N 2 1 321.852 2.506 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443058237 297214031 /nfs/dbraw/zinc/21/40/31/297214031.db2.gz MRMCBMOEUCSWDQ-WMZOPIPTSA-N 2 1 317.477 2.657 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057630 297214052 /nfs/dbraw/zinc/21/40/52/297214052.db2.gz HLAYBSNISUZPRH-OLZOCXBDSA-N 2 1 309.841 2.728 20 0 DFADMP CCn1c2cccc(F)c2nc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443061671 297214237 /nfs/dbraw/zinc/21/42/37/297214237.db2.gz SBLGDKKKFCBEPU-ZDUSSCGKSA-N 2 1 304.413 2.756 20 0 DFADMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443063102 297214289 /nfs/dbraw/zinc/21/42/89/297214289.db2.gz VVALHKWDBHDXMJ-ZIAGYGMSSA-N 2 1 321.490 2.796 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063436 297214352 /nfs/dbraw/zinc/21/43/52/297214352.db2.gz WOWROYZZXFWDGU-ZIAGYGMSSA-N 2 1 323.868 2.578 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000443068373 297214952 /nfs/dbraw/zinc/21/49/52/297214952.db2.gz KNBBBOUUEPJPRL-HUUCEWRRSA-N 2 1 313.555 2.522 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+]([C@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075140 297215255 /nfs/dbraw/zinc/21/52/55/297215255.db2.gz QYPCDGYSZJWZHV-CJNGLKHVSA-N 2 1 321.852 2.506 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443214696 297217624 /nfs/dbraw/zinc/21/76/24/297217624.db2.gz LJERGZPSXHKJLA-QFHJOOASSA-N 2 1 303.494 2.916 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C)[C@H](c2ccccc2C)[NH+](C)C)C1 ZINC000443214696 297217625 /nfs/dbraw/zinc/21/76/25/297217625.db2.gz LJERGZPSXHKJLA-QFHJOOASSA-N 2 1 303.494 2.916 20 0 DFADMP COc1cccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000443618600 297222612 /nfs/dbraw/zinc/22/26/12/297222612.db2.gz NMCZDFRTOQTHJJ-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1cccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000443618600 297222614 /nfs/dbraw/zinc/22/26/14/297222614.db2.gz NMCZDFRTOQTHJJ-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1cccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000443618600 297222615 /nfs/dbraw/zinc/22/26/15/297222615.db2.gz NMCZDFRTOQTHJJ-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1cccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000443618600 297222617 /nfs/dbraw/zinc/22/26/17/297222617.db2.gz NMCZDFRTOQTHJJ-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2cccc(OC)c2)C[C@H]1C ZINC000443623711 297223317 /nfs/dbraw/zinc/22/33/17/297223317.db2.gz QRWZFTZUGJRAPY-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2cccc(OC)c2)C[C@H]1C ZINC000443623711 297223318 /nfs/dbraw/zinc/22/33/18/297223318.db2.gz QRWZFTZUGJRAPY-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2cccc(OC)c2)C[C@H]1C ZINC000443623711 297223319 /nfs/dbraw/zinc/22/33/19/297223319.db2.gz QRWZFTZUGJRAPY-HZPDHXFCSA-N 2 1 306.450 2.879 20 0 DFADMP C[N@H+]1CCN(CCC[NH+]2CCCCC2)[C@H](c2ccccc2)C1 ZINC000444615409 297241498 /nfs/dbraw/zinc/24/14/98/297241498.db2.gz ANWAMAQCYZILCN-IBGZPJMESA-N 2 1 301.478 2.851 20 0 DFADMP c1nc2c(n1[C@H]1CC[N@H+](CCC[NH+]3CCCCC3)C1)CCCC2 ZINC000444630485 297242428 /nfs/dbraw/zinc/24/24/28/297242428.db2.gz OSAHLIHIPQLWDR-KRWDZBQOSA-N 3 1 316.493 2.885 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444735910 297248229 /nfs/dbraw/zinc/24/82/29/297248229.db2.gz PNBQSVFBJQESEI-KGLIPLIRSA-N 2 1 319.371 2.607 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]([C@H](O)C(F)(F)F)C1 ZINC000444735910 297248231 /nfs/dbraw/zinc/24/82/31/297248231.db2.gz PNBQSVFBJQESEI-KGLIPLIRSA-N 2 1 319.371 2.607 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000447529897 297306827 /nfs/dbraw/zinc/30/68/27/297306827.db2.gz LKONAVSPYANCIM-SNRMKQJTSA-N 2 1 302.462 2.917 20 0 DFADMP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H](O)C[NH+]2CCCC2)c2ccccc21 ZINC000447529899 297306861 /nfs/dbraw/zinc/30/68/61/297306861.db2.gz LKONAVSPYANCIM-ZYSHUDEJSA-N 2 1 302.462 2.917 20 0 DFADMP CC[C@H](C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](CC)CC ZINC000448521102 297340758 /nfs/dbraw/zinc/34/07/58/297340758.db2.gz PVKWFECYARSMGL-KBAYOESNSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449023572 297392802 /nfs/dbraw/zinc/39/28/02/297392802.db2.gz SBOPYWQOQOOUFU-SFHVURJKSA-N 2 1 313.445 2.645 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccncc2F)CC1 ZINC000449037987 297395924 /nfs/dbraw/zinc/39/59/24/297395924.db2.gz QPQJCAOQDSHLTM-UHFFFAOYSA-N 2 1 323.456 2.791 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)cc2OC)C1 ZINC000449038992 297396035 /nfs/dbraw/zinc/39/60/35/297396035.db2.gz YGZXUMCJSOMMJX-GOSISDBHSA-N 2 1 320.477 2.936 20 0 DFADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453087900 298060853 /nfs/dbraw/zinc/06/08/53/298060853.db2.gz JRGDJVVIACUYCE-JCHJZTRSSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453198341 298070809 /nfs/dbraw/zinc/07/08/09/298070809.db2.gz NYFIBCWOHZIYLZ-WJFTUGDTSA-N 2 1 302.462 2.790 20 0 DFADMP CN(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453216188 298071781 /nfs/dbraw/zinc/07/17/81/298071781.db2.gz GJCNVFKABDSKBU-GUDVDZBRSA-N 2 1 301.478 2.581 20 0 DFADMP OCC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000453333313 298083813 /nfs/dbraw/zinc/08/38/13/298083813.db2.gz GNVPBAMNNQLMSB-LDLYASANSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000453366991 298086973 /nfs/dbraw/zinc/08/69/73/298086973.db2.gz WOFRMKCVDUXFBF-FUHWJXTLSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCN(c2ccccn2)CC1)C1CC1 ZINC000453391637 298089540 /nfs/dbraw/zinc/08/95/40/298089540.db2.gz DXWIAFOVBFYTIM-UHFFFAOYSA-N 2 1 302.466 2.514 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[N@@H+]2CCCC2(C)C)C1 ZINC000453398870 298089929 /nfs/dbraw/zinc/08/99/29/298089929.db2.gz NHLPRYFRXLNATR-HZPDHXFCSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC[N@H+]2CCCC2(C)C)C1 ZINC000453398870 298089930 /nfs/dbraw/zinc/08/99/30/298089930.db2.gz NHLPRYFRXLNATR-HZPDHXFCSA-N 2 1 304.482 2.910 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@@]2(C)CCC(=O)N2)cc1 ZINC000453398311 298090092 /nfs/dbraw/zinc/09/00/92/298090092.db2.gz KMVJDNJVWXSCBD-FZKQIMNGSA-N 2 1 312.417 2.500 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453413962 298091932 /nfs/dbraw/zinc/09/19/32/298091932.db2.gz WVUAFFITQBXPCE-CVEARBPZSA-N 2 1 304.482 2.910 20 0 DFADMP Cc1cc(Br)c(CN2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)s1 ZINC000453613350 298105597 /nfs/dbraw/zinc/10/55/97/298105597.db2.gz UMJPOLGUOLUOAJ-PHIMTYICSA-N 2 1 315.280 2.812 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000453626415 298106719 /nfs/dbraw/zinc/10/67/19/298106719.db2.gz GHNNQRUDDRJQEW-NQYYFHDYSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000453626415 298106722 /nfs/dbraw/zinc/10/67/22/298106722.db2.gz GHNNQRUDDRJQEW-NQYYFHDYSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](C(=O)NCCC[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000357040785 298153103 /nfs/dbraw/zinc/15/31/03/298153103.db2.gz OVNAZHATKHMDJL-MDMSPXHWSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@H](C(=O)NCCC[N@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357040785 298153107 /nfs/dbraw/zinc/15/31/07/298153107.db2.gz OVNAZHATKHMDJL-MDMSPXHWSA-N 2 1 323.525 2.732 20 0 DFADMP C[C@H](C(=O)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000357040785 298153111 /nfs/dbraw/zinc/15/31/11/298153111.db2.gz OVNAZHATKHMDJL-MDMSPXHWSA-N 2 1 323.525 2.732 20 0 DFADMP Cc1cc(C)c(NC(=O)N2CCC[N@H+](C(C)C)CC2)c(C)n1 ZINC000455468099 298364643 /nfs/dbraw/zinc/36/46/43/298364643.db2.gz GWWPQKTURKIRQG-UHFFFAOYSA-N 2 1 304.438 2.955 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455625436 298390742 /nfs/dbraw/zinc/39/07/42/298390742.db2.gz NSRJIYYJSJJXHL-CQSZACIVSA-N 2 1 317.437 2.885 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455625436 298390748 /nfs/dbraw/zinc/39/07/48/298390748.db2.gz NSRJIYYJSJJXHL-CQSZACIVSA-N 2 1 317.437 2.885 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(N3CCOC3=O)c2)c2ccccc21 ZINC000496083298 300017362 /nfs/dbraw/zinc/01/73/62/300017362.db2.gz QBQWKZVDZXDNNK-ZWKOTPCHSA-N 2 1 323.396 2.878 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000496483466 300069250 /nfs/dbraw/zinc/06/92/50/300069250.db2.gz YTQGVCKESKEYNX-SUMWQHHRSA-N 2 1 317.433 2.811 20 0 DFADMP CCOC(=O)N[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)CC(C)C ZINC000496831491 300120493 /nfs/dbraw/zinc/12/04/93/300120493.db2.gz WQDQHUULJWFEGG-XKQJLSEDSA-N 2 1 319.449 2.882 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](CC2CCCC2)C1)C1(C(=O)OC)CCC1 ZINC000498940543 300200119 /nfs/dbraw/zinc/20/01/19/300200119.db2.gz QRVBVXRUDLSJLN-IAGOWNOFSA-N 2 1 322.493 2.962 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](CC2CCCC2)C1)C1(C(=O)OC)CCC1 ZINC000498940543 300200122 /nfs/dbraw/zinc/20/01/22/300200122.db2.gz QRVBVXRUDLSJLN-IAGOWNOFSA-N 2 1 322.493 2.962 20 0 DFADMP COCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000514092361 300259446 /nfs/dbraw/zinc/25/94/46/300259446.db2.gz FAVHWXNCUDXGAS-GBESFXJTSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1[C@@H]([NH2+]CCc2c[nH+]cn2C)CCCN1Cc1ccccc1 ZINC000514618979 300263121 /nfs/dbraw/zinc/26/31/21/300263121.db2.gz PCDHOGWSBPHTBD-LPHOPBHVSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[N@H+](CCSCC[NH+](C)Cc2ccccc2)CCO1 ZINC000278670786 300264026 /nfs/dbraw/zinc/26/40/26/300264026.db2.gz OBMKSCVSNSFVKK-INIZCTEOSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@H]1C[N@@H+](CCSCC[NH+](C)Cc2ccccc2)CCO1 ZINC000278670786 300264030 /nfs/dbraw/zinc/26/40/30/300264030.db2.gz OBMKSCVSNSFVKK-INIZCTEOSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@H]1C[NH+](CCSCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000278670786 300264034 /nfs/dbraw/zinc/26/40/34/300264034.db2.gz OBMKSCVSNSFVKK-INIZCTEOSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@H]1C[NH+](CCSCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000278670786 300264037 /nfs/dbraw/zinc/26/40/37/300264037.db2.gz OBMKSCVSNSFVKK-INIZCTEOSA-N 2 1 308.491 2.572 20 0 DFADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000514796202 300271406 /nfs/dbraw/zinc/27/14/06/300271406.db2.gz NMCFEXMYSXYNQS-INIZCTEOSA-N 2 1 301.438 2.540 20 0 DFADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000514796202 300271409 /nfs/dbraw/zinc/27/14/09/300271409.db2.gz NMCFEXMYSXYNQS-INIZCTEOSA-N 2 1 301.438 2.540 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000516861228 300363968 /nfs/dbraw/zinc/36/39/68/300363968.db2.gz BBDMMURNQROVJE-CZUORRHYSA-N 2 1 307.413 2.665 20 0 DFADMP C[C@@H](c1nc(C(C)(C)C)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000517226264 300388617 /nfs/dbraw/zinc/38/86/17/300388617.db2.gz JYGGPKITHCKEGK-GXTWGEPZSA-N 2 1 306.454 2.892 20 0 DFADMP COCC[NH+]1CCC([NH2+]CC2CCc3ccccc3CC2)CC1 ZINC000527930334 300713441 /nfs/dbraw/zinc/71/34/41/300713441.db2.gz OWZIIYJWQWVDIS-UHFFFAOYSA-N 2 1 316.489 2.882 20 0 DFADMP C[C@H]([NH2+]CC1([NH+]2CCCC2)CCOCC1)C1CC(F)(F)C1 ZINC000529536922 300945515 /nfs/dbraw/zinc/94/55/15/300945515.db2.gz AKCPHUOLCHJSSH-ZDUSSCGKSA-N 2 1 302.409 2.655 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)cc1OC ZINC000530179412 301026090 /nfs/dbraw/zinc/02/60/90/301026090.db2.gz XTXRPBIPNVHVAT-GUYCJALGSA-N 2 1 304.434 2.509 20 0 DFADMP C[C@@H]1[C@@H](N[C@@H]2CC[NH2+]C23CCC3)CCC[N@H+]1Cc1ccccc1 ZINC000530216016 301029667 /nfs/dbraw/zinc/02/96/67/301029667.db2.gz LSFJFBSFSYNOBF-NZSAHSFTSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(Br)c(F)c1F)[C@@H]1CC[NH2+]C1 ZINC000530219509 301031280 /nfs/dbraw/zinc/03/12/80/301031280.db2.gz JIOQTQLQAACWLK-RKDXNWHRSA-N 2 1 319.193 2.815 20 0 DFADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000530238336 301033340 /nfs/dbraw/zinc/03/33/40/301033340.db2.gz PFICOAJVJJNHAY-SFHVURJKSA-N 2 1 320.452 2.847 20 0 DFADMP COc1cc2c(NCC[N@@H+]3CCO[C@H](C)C3)cc[nH+]c2cc1F ZINC000530369911 301042852 /nfs/dbraw/zinc/04/28/52/301042852.db2.gz WPWBECHWLXXBJP-GFCCVEGCSA-N 2 1 319.380 2.515 20 0 DFADMP COc1cc2c(NCC[N@H+]3CCO[C@H](C)C3)cc[nH+]c2cc1F ZINC000530369911 301042854 /nfs/dbraw/zinc/04/28/54/301042854.db2.gz WPWBECHWLXXBJP-GFCCVEGCSA-N 2 1 319.380 2.515 20 0 DFADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2[nH]c(=O)oc2c1 ZINC000530460388 301049672 /nfs/dbraw/zinc/04/96/72/301049672.db2.gz PQIIYOYEBRMTBK-INIZCTEOSA-N 2 1 314.389 2.796 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCc2c[nH+]cn2C)c1C ZINC000530460263 301049853 /nfs/dbraw/zinc/04/98/53/301049853.db2.gz DNAIRHZUYMBCNT-CQSZACIVSA-N 2 1 314.433 2.586 20 0 DFADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000530465188 301049991 /nfs/dbraw/zinc/04/99/91/301049991.db2.gz HXNLXFPRDNPKIB-ZIAGYGMSSA-N 2 1 317.433 2.762 20 0 DFADMP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccc3nc[nH]c3c2)C[C@H](C)O1 ZINC000530722860 301065192 /nfs/dbraw/zinc/06/51/92/301065192.db2.gz DAPMPMAEHLFJSY-GJZGRUSLSA-N 2 1 316.449 2.542 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000531932067 301119391 /nfs/dbraw/zinc/11/93/91/301119391.db2.gz IZESCRGJKZKBDY-GJZGRUSLSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531954329 301120882 /nfs/dbraw/zinc/12/08/82/301120882.db2.gz CJCRWZACIBSOIG-HESLUPGFSA-N 2 1 322.415 2.932 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@H](C)C1)[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000531954329 301120885 /nfs/dbraw/zinc/12/08/85/301120885.db2.gz CJCRWZACIBSOIG-HESLUPGFSA-N 2 1 322.415 2.932 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000532525262 301158183 /nfs/dbraw/zinc/15/81/83/301158183.db2.gz ITXQEDKHYWRWLT-ARFHVFGLSA-N 2 1 303.450 2.784 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000532525262 301158184 /nfs/dbraw/zinc/15/81/84/301158184.db2.gz ITXQEDKHYWRWLT-ARFHVFGLSA-N 2 1 303.450 2.784 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000533581924 301208929 /nfs/dbraw/zinc/20/89/29/301208929.db2.gz DDSRGDPTDCLSGA-LPHOPBHVSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+][C@@H](Cc2ccccn2)c2cccnc2)C1 ZINC000533581924 301208930 /nfs/dbraw/zinc/20/89/30/301208930.db2.gz DDSRGDPTDCLSGA-LPHOPBHVSA-N 2 1 310.445 2.692 20 0 DFADMP CCCCc1noc([C@@H](C)[N@@H+]2CC[C@@H](c3nccn3C)C2)n1 ZINC000533865891 301214946 /nfs/dbraw/zinc/21/49/46/301214946.db2.gz GBPIVNDPXUCDND-CHWSQXEVSA-N 2 1 303.410 2.696 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](Cc1ccccc1)C[C@@H](C)O ZINC000535050695 301245375 /nfs/dbraw/zinc/24/53/75/301245375.db2.gz CNCIBDFOQQKQCE-MRXNPFEDSA-N 2 1 301.434 2.855 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](Cc1ccccc1)C[C@@H](C)O ZINC000535050695 301245376 /nfs/dbraw/zinc/24/53/76/301245376.db2.gz CNCIBDFOQQKQCE-MRXNPFEDSA-N 2 1 301.434 2.855 20 0 DFADMP CC[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCOCC1 ZINC000536853026 301291832 /nfs/dbraw/zinc/29/18/32/301291832.db2.gz ROFYCOLHFKMRCN-SFHVURJKSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@@H](CC(C)(C)C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548123407 301568042 /nfs/dbraw/zinc/56/80/42/301568042.db2.gz RSNORXCJHXCUBS-AWEZNQCLSA-N 2 1 318.465 2.844 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@H](C)[NH+]2CC(C)C2)c1 ZINC000552967242 301700705 /nfs/dbraw/zinc/70/07/05/301700705.db2.gz JKNYSYCJXHQMJN-HNNXBMFYSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000553176751 301705835 /nfs/dbraw/zinc/70/58/35/301705835.db2.gz QMDMUHZDKNOTEO-AEFFLSMTSA-N 2 1 317.477 2.526 20 0 DFADMP COc1cc2c(cc1C[NH2+]CCCC[N@@H+](C)C1CC1)O[C@H](C)C2 ZINC000562803604 302004031 /nfs/dbraw/zinc/00/40/31/302004031.db2.gz PTDNKPGRJUITBM-CQSZACIVSA-N 2 1 318.461 2.983 20 0 DFADMP CC(C)c1[nH+]c(CNCC[N@@H+]2CC[C@@H](C)C2)c2ccccn21 ZINC000563258928 302055506 /nfs/dbraw/zinc/05/55/06/302055506.db2.gz XMBHGYWDWZNXSB-OAHLLOKOSA-N 2 1 300.450 2.889 20 0 DFADMP CC(C)c1[nH+]c(CNCC[N@H+]2CC[C@@H](C)C2)c2ccccn21 ZINC000563258928 302055509 /nfs/dbraw/zinc/05/55/09/302055509.db2.gz XMBHGYWDWZNXSB-OAHLLOKOSA-N 2 1 300.450 2.889 20 0 DFADMP CCO[C@H]1C[C@H]([N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)C1(C)C ZINC000563269535 302056443 /nfs/dbraw/zinc/05/64/43/302056443.db2.gz VGJIAFZJBGDOJU-ROUUACIJSA-N 2 1 302.462 2.968 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[NH2+]C)c1 ZINC000563410848 302069028 /nfs/dbraw/zinc/06/90/28/302069028.db2.gz OXDLAOBOSNGUCN-HNNXBMFYSA-N 2 1 305.466 2.533 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)[NH2+]C)c1 ZINC000563410849 302069213 /nfs/dbraw/zinc/06/92/13/302069213.db2.gz OXDLAOBOSNGUCN-OAHLLOKOSA-N 2 1 305.466 2.533 20 0 DFADMP Cn1cc([C@H]([NH2+][C@H]2CCC[C@@H]([NH3+])C2)c2ccc(F)cc2)cn1 ZINC000563426100 302071506 /nfs/dbraw/zinc/07/15/06/302071506.db2.gz SUQFARUHBPGGLJ-IXDOHACOSA-N 2 1 302.397 2.508 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000563741341 302096239 /nfs/dbraw/zinc/09/62/39/302096239.db2.gz SRUUXIVRVYZBDP-OQIJWPOYSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@H](O)CC2)CC[N@H+]1Cc1ccccc1 ZINC000563741341 302096240 /nfs/dbraw/zinc/09/62/40/302096240.db2.gz SRUUXIVRVYZBDP-OQIJWPOYSA-N 2 1 302.462 2.933 20 0 DFADMP FC(F)(F)COc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1 ZINC000564099582 302119222 /nfs/dbraw/zinc/11/92/22/302119222.db2.gz MEOZOSAHMSGGQO-UHFFFAOYSA-N 2 1 302.340 2.813 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@@H+]2CCCc2c[nH+]cn2C)C1 ZINC000564464728 302136753 /nfs/dbraw/zinc/13/67/53/302136753.db2.gz AMFRXYDRPIAXTF-SPUZQDLCSA-N 2 1 305.466 2.614 20 0 DFADMP C[C@@H]1CC[C@H](O)[C@H]([C@H]2CCC[N@H+]2CCCc2c[nH+]cn2C)C1 ZINC000564464728 302136756 /nfs/dbraw/zinc/13/67/56/302136756.db2.gz AMFRXYDRPIAXTF-SPUZQDLCSA-N 2 1 305.466 2.614 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CC/C=C/c2cncc(OC)c2)CC1 ZINC000564896711 302170387 /nfs/dbraw/zinc/17/03/87/302170387.db2.gz PPNMAVXCORQRJU-FNORWQNLSA-N 2 1 303.450 2.910 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CC/C=C/c2cncc(OC)c2)CC1 ZINC000564896711 302170389 /nfs/dbraw/zinc/17/03/89/302170389.db2.gz PPNMAVXCORQRJU-FNORWQNLSA-N 2 1 303.450 2.910 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)cnc21 ZINC000564973675 302178352 /nfs/dbraw/zinc/17/83/52/302178352.db2.gz VIMDKPODOYHAAR-GOSISDBHSA-N 2 1 313.449 2.588 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)cnc21 ZINC000564973675 302178353 /nfs/dbraw/zinc/17/83/53/302178353.db2.gz VIMDKPODOYHAAR-GOSISDBHSA-N 2 1 313.449 2.588 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[C@H]3CC[N@@H+](C)C[C@H]32)c2ccccn21 ZINC000565083368 302192774 /nfs/dbraw/zinc/19/27/74/302192774.db2.gz NGZHZAWMFHAUGU-CRAIPNDOSA-N 2 1 312.461 2.984 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@H](O)CC(F)(F)F ZINC000565357862 302220653 /nfs/dbraw/zinc/22/06/53/302220653.db2.gz BCAFQESWCXCUIN-OAHLLOKOSA-N 2 1 318.383 2.930 20 0 DFADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000565409411 302223492 /nfs/dbraw/zinc/22/34/92/302223492.db2.gz HCDGXYRICRULIG-WNBVTYSNSA-N 3 1 313.489 2.975 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(C3CCCC3)no1)CC[NH2+]CC2 ZINC000565651912 302234998 /nfs/dbraw/zinc/23/49/98/302234998.db2.gz VHWRSHPFUBTLFX-CYBMUJFWSA-N 2 1 304.438 2.691 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000565659263 302235953 /nfs/dbraw/zinc/23/59/53/302235953.db2.gz WXLUHHJIQHBTGO-NSHDSACASA-N 2 1 320.824 2.550 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc3cc(Cl)ccc3c(=O)[nH]2)C1 ZINC000565659263 302235956 /nfs/dbraw/zinc/23/59/56/302235956.db2.gz WXLUHHJIQHBTGO-NSHDSACASA-N 2 1 320.824 2.550 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1[C@H](C)CCC[C@@H]1c1ccccc1OC ZINC000565723896 302239769 /nfs/dbraw/zinc/23/97/69/302239769.db2.gz JSDYQDNGDLVHFY-SOLBZPMBSA-N 2 1 320.477 2.923 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000565770481 302241504 /nfs/dbraw/zinc/24/15/04/302241504.db2.gz WDUVVRBKTVNJBZ-WMLDXEAASA-N 2 1 310.869 2.565 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000565770480 302241520 /nfs/dbraw/zinc/24/15/20/302241520.db2.gz WDUVVRBKTVNJBZ-RHSMWYFYSA-N 2 1 310.869 2.565 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)Nc1cc[nH+]cc1Br ZINC000565864844 302245490 /nfs/dbraw/zinc/24/54/90/302245490.db2.gz DFOXNHROCSCLCH-LLVKDONJSA-N 2 1 300.244 2.798 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cc[nH+]cc1Br ZINC000565864844 302245492 /nfs/dbraw/zinc/24/54/92/302245492.db2.gz DFOXNHROCSCLCH-LLVKDONJSA-N 2 1 300.244 2.798 20 0 DFADMP CCc1nnc(C[NH2+]Cc2cc(-n3ccnc3)cs2)s1 ZINC000565923117 302248732 /nfs/dbraw/zinc/24/87/32/302248732.db2.gz QKWSWYOPLWNICL-UHFFFAOYSA-N 2 1 305.432 2.638 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000565951436 302250227 /nfs/dbraw/zinc/25/02/27/302250227.db2.gz NMERZIPMQAHWNB-OALUTQOASA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000565951436 302250229 /nfs/dbraw/zinc/25/02/29/302250229.db2.gz NMERZIPMQAHWNB-OALUTQOASA-N 2 1 314.473 2.792 20 0 DFADMP C[C@H](NC[C@@H](c1ccc(Cl)cc1)[NH+](C)C)[C@@H]1CCC[NH2+]C1 ZINC000566089477 302258442 /nfs/dbraw/zinc/25/84/42/302258442.db2.gz BBSLXHBMROAYCR-LXZKKBNFSA-N 2 1 309.885 2.920 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12)Nc1ccc(Cl)cc1 ZINC000566106535 302260031 /nfs/dbraw/zinc/26/00/31/302260031.db2.gz SZJWLUKZRRHUSZ-JKSUJKDBSA-N 2 1 321.852 2.885 20 0 DFADMP O=C(CC[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12)Nc1ccc(Cl)cc1 ZINC000566106535 302260033 /nfs/dbraw/zinc/26/00/33/302260033.db2.gz SZJWLUKZRRHUSZ-JKSUJKDBSA-N 2 1 321.852 2.885 20 0 DFADMP CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@H+](C)C2CC2)cc1 ZINC000566113036 302260436 /nfs/dbraw/zinc/26/04/36/302260436.db2.gz CFVPEABDRYDQMV-DNVCBOLYSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)c1ccc(C[C@@H](C)[NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000566113036 302260439 /nfs/dbraw/zinc/26/04/39/302260439.db2.gz CFVPEABDRYDQMV-DNVCBOLYSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000566200880 302267395 /nfs/dbraw/zinc/26/73/95/302267395.db2.gz IMOFJFXGLDBUGZ-RHSMWYFYSA-N 2 1 303.450 2.585 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566304202 302277154 /nfs/dbraw/zinc/27/71/54/302277154.db2.gz SHBVSNOIRSQIRS-SFHVURJKSA-N 3 1 321.484 2.920 20 0 DFADMP CC(C)[N@H+](C)CC1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566304202 302277157 /nfs/dbraw/zinc/27/71/57/302277157.db2.gz SHBVSNOIRSQIRS-SFHVURJKSA-N 2 1 321.484 2.920 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)CC1 ZINC000566304202 302277160 /nfs/dbraw/zinc/27/71/60/302277160.db2.gz SHBVSNOIRSQIRS-SFHVURJKSA-N 2 1 321.484 2.920 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000566304202 302277161 /nfs/dbraw/zinc/27/71/61/302277161.db2.gz SHBVSNOIRSQIRS-SFHVURJKSA-N 2 1 321.484 2.920 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](C[C@H](CN)c2ccc(F)cc2)CC1 ZINC000566304202 302277164 /nfs/dbraw/zinc/27/71/64/302277164.db2.gz SHBVSNOIRSQIRS-SFHVURJKSA-N 2 1 321.484 2.920 20 0 DFADMP COc1cc(F)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000566336964 302280202 /nfs/dbraw/zinc/28/02/02/302280202.db2.gz BFHJNOPQLMBCRX-UHFFFAOYSA-N 2 1 322.424 2.903 20 0 DFADMP COc1cc(F)c(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1OC ZINC000566336964 302280205 /nfs/dbraw/zinc/28/02/05/302280205.db2.gz BFHJNOPQLMBCRX-UHFFFAOYSA-N 2 1 322.424 2.903 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)[C@@]2(C)CCC[NH2+]2)cc1 ZINC000567505267 302365239 /nfs/dbraw/zinc/36/52/39/302365239.db2.gz RVYXLQROSCTOIL-FZKQIMNGSA-N 2 1 312.417 2.500 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853433 302392810 /nfs/dbraw/zinc/39/28/10/302392810.db2.gz AWJBXGMAPXCCCB-NJAFHUGGSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853433 302392813 /nfs/dbraw/zinc/39/28/13/302392813.db2.gz AWJBXGMAPXCCCB-NJAFHUGGSA-N 2 1 300.446 2.951 20 0 DFADMP CC(C)OC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000567891804 302396608 /nfs/dbraw/zinc/39/66/08/302396608.db2.gz UHKADNULDIOHPX-QFBILLFUSA-N 2 1 320.477 2.588 20 0 DFADMP C[C@@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)[C@@H]1CCC[NH2+]C1 ZINC000569684298 302532588 /nfs/dbraw/zinc/53/25/88/302532588.db2.gz QAPIRPOVZOYFFH-VXGBXAGGSA-N 2 1 306.841 2.704 20 0 DFADMP Cc1ccc(C(=O)Nc2cccc(C[NH2+][C@@H](C)C3C[NH2+]C3)c2)cc1 ZINC000570562532 302579631 /nfs/dbraw/zinc/57/96/31/302579631.db2.gz VGBLJGSCLAGZLF-HNNXBMFYSA-N 2 1 323.440 2.945 20 0 DFADMP Cc1[nH+]cc(CNCC(C)(C)[NH2+][C@@H](C)c2ccccc2)n1C ZINC000572257824 302652292 /nfs/dbraw/zinc/65/22/92/302652292.db2.gz AZKKETFDFSIVHM-AWEZNQCLSA-N 2 1 300.450 2.948 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)s1 ZINC000574139293 302742541 /nfs/dbraw/zinc/74/25/41/302742541.db2.gz AADWWHBJPCLRRO-HUUCEWRRSA-N 2 1 323.506 2.985 20 0 DFADMP C[C@@H](NCc1cccc(C[NH+]2CCCC2)c1)[C@H]1CCC[NH2+]C1 ZINC000574268936 302749506 /nfs/dbraw/zinc/74/95/06/302749506.db2.gz KCTUWRYCKCERMZ-APWZRJJASA-N 2 1 301.478 2.760 20 0 DFADMP CC(C)CSCCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000180960564 316046939 /nfs/dbraw/zinc/04/69/39/316046939.db2.gz AVKHWSSFNYWSOP-UHFFFAOYSA-N 2 1 315.571 2.724 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)CCc1ccccc1 ZINC000182415355 316101252 /nfs/dbraw/zinc/10/12/52/316101252.db2.gz MXAVQSKWJKYEJR-RBUKOAKNSA-N 2 1 304.478 2.786 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)CCc1ccccc1 ZINC000182415355 316101255 /nfs/dbraw/zinc/10/12/55/316101255.db2.gz MXAVQSKWJKYEJR-RBUKOAKNSA-N 2 1 304.478 2.786 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)CCc1ccccc1 ZINC000182415355 316101256 /nfs/dbraw/zinc/10/12/56/316101256.db2.gz MXAVQSKWJKYEJR-RBUKOAKNSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)(C)[NH2+]CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000182710270 316114764 /nfs/dbraw/zinc/11/47/64/316114764.db2.gz SRBNQEIDXMGYOP-QGZVFWFLSA-N 2 1 317.477 2.545 20 0 DFADMP CCC(C)(C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185718325 316191365 /nfs/dbraw/zinc/19/13/65/316191365.db2.gz ASULZVWMZQGXIN-LSDHHAIUSA-N 2 1 309.498 2.534 20 0 DFADMP CCC(C)(C)NC(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185718325 316191367 /nfs/dbraw/zinc/19/13/67/316191367.db2.gz ASULZVWMZQGXIN-LSDHHAIUSA-N 2 1 309.498 2.534 20 0 DFADMP CC(C)N(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1)C(C)C ZINC000185746225 316191617 /nfs/dbraw/zinc/19/16/17/316191617.db2.gz BPOAHEUQNMYAKV-DLBZAZTESA-N 2 1 323.525 2.874 20 0 DFADMP CC(C)N(C(=O)C[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1)C(C)C ZINC000185746225 316191620 /nfs/dbraw/zinc/19/16/20/316191620.db2.gz BPOAHEUQNMYAKV-DLBZAZTESA-N 2 1 323.525 2.874 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(NCCOC)cc2)[C@@H](C)C1 ZINC000347308769 316319758 /nfs/dbraw/zinc/31/97/58/316319758.db2.gz JRVZFCZSEWIVFF-YJBOKZPZSA-N 2 1 305.466 2.565 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000360019707 316573440 /nfs/dbraw/zinc/57/34/40/316573440.db2.gz SHRQXBQAJZIIQF-QWHCGFSZSA-N 2 1 301.390 2.566 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000414806414 316663698 /nfs/dbraw/zinc/66/36/98/316663698.db2.gz QGKJDSLHQHUHPK-GXTWGEPZSA-N 2 1 302.447 2.812 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H](C)O ZINC000449547922 317039918 /nfs/dbraw/zinc/03/99/18/317039918.db2.gz ZAVGOLZLXXAXAD-KSSFIOAISA-N 2 1 308.441 2.582 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H](C)O ZINC000449547921 317040039 /nfs/dbraw/zinc/04/00/39/317040039.db2.gz ZAVGOLZLXXAXAD-KDOFPFPSSA-N 2 1 308.441 2.582 20 0 DFADMP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000449671707 317050875 /nfs/dbraw/zinc/05/08/75/317050875.db2.gz KQPLPNJBOJUZSJ-CQSZACIVSA-N 2 1 309.413 2.749 20 0 DFADMP C[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000449671707 317050879 /nfs/dbraw/zinc/05/08/79/317050879.db2.gz KQPLPNJBOJUZSJ-CQSZACIVSA-N 2 1 309.413 2.749 20 0 DFADMP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+](C)Cc1ccccc1 ZINC000449671706 317051157 /nfs/dbraw/zinc/05/11/57/317051157.db2.gz KQPLPNJBOJUZSJ-AWEZNQCLSA-N 2 1 309.413 2.749 20 0 DFADMP C[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@@H+](C)Cc1ccccc1 ZINC000449671706 317051159 /nfs/dbraw/zinc/05/11/59/317051159.db2.gz KQPLPNJBOJUZSJ-AWEZNQCLSA-N 2 1 309.413 2.749 20 0 DFADMP O[C@@]1(C[NH2+][C@@H](C2CC2)C2CCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000453138740 317164165 /nfs/dbraw/zinc/16/41/65/317164165.db2.gz YPOQGUJJIVHOQF-WOJBJXKFSA-N 2 1 314.473 2.792 20 0 DFADMP O[C@@]1(C[NH2+][C@@H](C2CC2)C2CCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000453138740 317164169 /nfs/dbraw/zinc/16/41/69/317164169.db2.gz YPOQGUJJIVHOQF-WOJBJXKFSA-N 2 1 314.473 2.792 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000453404852 317183983 /nfs/dbraw/zinc/18/39/83/317183983.db2.gz QCSXUJUCPDYCIB-CYBMUJFWSA-N 2 1 317.433 2.543 20 0 DFADMP Cn1cncc1CC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459334144 317319621 /nfs/dbraw/zinc/31/96/21/317319621.db2.gz FJGWXUTTZHDEBW-KRWDZBQOSA-N 2 1 304.482 2.551 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H]3C[C@@H]3C)cc2)CC1 ZINC000488412033 317390932 /nfs/dbraw/zinc/39/09/32/317390932.db2.gz KXXGCFKPCFYZJT-QFBILLFUSA-N 2 1 301.478 2.570 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488414443 317390943 /nfs/dbraw/zinc/39/09/43/317390943.db2.gz QZVWFGTZOVVUQV-LSDHHAIUSA-N 2 1 300.512 2.607 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695429 317664022 /nfs/dbraw/zinc/66/40/22/317664022.db2.gz WLDHCYBIEBANDS-GJZGRUSLSA-N 2 1 322.453 2.617 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@]3(CCN(Cc4cnccn4)C3)C2)cc1 ZINC000572097854 318001090 /nfs/dbraw/zinc/00/10/90/318001090.db2.gz NWXHPLLHFRZIMI-HXUWFJFHSA-N 2 1 322.456 2.965 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccccc2)C1 ZINC000574512343 318022812 /nfs/dbraw/zinc/02/28/12/318022812.db2.gz LMADPDSPJXGEFZ-RTBURBONSA-N 2 1 304.478 2.548 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000574630790 318029121 /nfs/dbraw/zinc/02/91/21/318029121.db2.gz WXTPNFRQUBLXMN-KURKYZTESA-N 2 1 315.461 2.552 20 0 DFADMP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccn(C)n1 ZINC000575218479 318070550 /nfs/dbraw/zinc/07/05/50/318070550.db2.gz AWUKRMRRMBYITF-QGZVFWFLSA-N 2 1 316.449 2.601 20 0 DFADMP COC[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(Cl)cc1 ZINC000575759283 318081463 /nfs/dbraw/zinc/08/14/63/318081463.db2.gz OBZPLRLBUMWKFZ-MRXNPFEDSA-N 2 1 307.825 2.983 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)(C)C2)CC1 ZINC000576000489 318097625 /nfs/dbraw/zinc/09/76/25/318097625.db2.gz BOHJRBXPLUTMFB-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@@H+]2CCC(C)(C)C2)CC1 ZINC000576000489 318097627 /nfs/dbraw/zinc/09/76/27/318097627.db2.gz BOHJRBXPLUTMFB-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CCCC[NH+](C)CC1CCN(C(=O)C[N@H+]2CCC(C)(C)C2)CC1 ZINC000576000489 318097629 /nfs/dbraw/zinc/09/76/29/318097629.db2.gz BOHJRBXPLUTMFB-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000576410925 318124441 /nfs/dbraw/zinc/12/44/41/318124441.db2.gz OXGKCHLNTMCENN-USXIJHARSA-N 2 1 308.491 2.853 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000576410925 318124443 /nfs/dbraw/zinc/12/44/43/318124443.db2.gz OXGKCHLNTMCENN-USXIJHARSA-N 2 1 308.491 2.853 20 0 DFADMP O=C(CC[NH2+]C1CC[NH+](C2CC2)CC1)Nc1cc(F)cc(F)c1 ZINC000576577040 318135434 /nfs/dbraw/zinc/13/54/34/318135434.db2.gz OFFBHYPBZCCIDF-UHFFFAOYSA-N 2 1 323.387 2.510 20 0 DFADMP Cc1[nH+]cc(CNc2ccc(C)cc2OCC[NH+](C)C)n1C ZINC000576599118 318137649 /nfs/dbraw/zinc/13/76/49/318137649.db2.gz HFLCZUQCGWEQDE-UHFFFAOYSA-N 2 1 302.422 2.589 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000577191883 318177616 /nfs/dbraw/zinc/17/76/16/318177616.db2.gz ZLZUTAPUTWHRHQ-OLZOCXBDSA-N 2 1 308.388 2.544 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC1([NH+](C)C)CCC1)c1ccc(Cl)cc1 ZINC000577229834 318180205 /nfs/dbraw/zinc/18/02/05/318180205.db2.gz RNDJGGYRKFLERH-HNNXBMFYSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000577239752 318180574 /nfs/dbraw/zinc/18/05/74/318180574.db2.gz ZFHIUADLIMJENQ-QZTJIDSGSA-N 2 1 323.525 2.831 20 0 DFADMP c1ccc2c(c1)CC(C[NH2+]CC1([NH+]3CCCC3)CCOCC1)C2 ZINC000577252409 318180721 /nfs/dbraw/zinc/18/07/21/318180721.db2.gz GXFZINBJQGUABY-UHFFFAOYSA-N 2 1 314.473 2.636 20 0 DFADMP CC[C@@H]([NH2+]Cc1cc(C2CC[NH2+]CC2)no1)c1ccncc1 ZINC000577384786 318189637 /nfs/dbraw/zinc/18/96/37/318189637.db2.gz ACNOCBVICFRZJM-MRXNPFEDSA-N 2 1 300.406 2.778 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)Cc1cccc(Cl)c1 ZINC000577602101 318204120 /nfs/dbraw/zinc/20/41/20/318204120.db2.gz SPBMSNFHJPCYDR-DYVFJYSZSA-N 2 1 321.852 2.674 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577848841 318221566 /nfs/dbraw/zinc/22/15/66/318221566.db2.gz ITUHUPKVAYHYKG-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577848841 318221567 /nfs/dbraw/zinc/22/15/67/318221567.db2.gz ITUHUPKVAYHYKG-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1 ZINC000577949962 318227889 /nfs/dbraw/zinc/22/78/89/318227889.db2.gz MMDLQOAOYOFDSY-DANOYGIBSA-N 2 1 303.450 2.910 20 0 DFADMP Cc1cnc(C2CC[NH+](CCCc3c[nH+]cn3C)CC2)s1 ZINC000578202322 318244649 /nfs/dbraw/zinc/24/46/49/318244649.db2.gz DRHVWYXMIFXCEQ-UHFFFAOYSA-N 2 1 304.463 2.997 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578285000 318249844 /nfs/dbraw/zinc/24/98/44/318249844.db2.gz QRSKNXREHWONKA-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578285000 318249845 /nfs/dbraw/zinc/24/98/45/318249845.db2.gz QRSKNXREHWONKA-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578285000 318249846 /nfs/dbraw/zinc/24/98/46/318249846.db2.gz QRSKNXREHWONKA-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578285000 318249847 /nfs/dbraw/zinc/24/98/47/318249847.db2.gz QRSKNXREHWONKA-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578285000 318249848 /nfs/dbraw/zinc/24/98/48/318249848.db2.gz QRSKNXREHWONKA-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578285000 318249849 /nfs/dbraw/zinc/24/98/49/318249849.db2.gz QRSKNXREHWONKA-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000578285000 318249850 /nfs/dbraw/zinc/24/98/50/318249850.db2.gz QRSKNXREHWONKA-TZIWHRDSSA-N 2 1 324.468 2.947 20 0 DFADMP C[NH+](C)CCCC(C)(C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000578434951 318260551 /nfs/dbraw/zinc/26/05/51/318260551.db2.gz UGPJNZDENZWBNM-UHFFFAOYSA-N 2 1 311.514 2.878 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000578450835 318262143 /nfs/dbraw/zinc/26/21/43/318262143.db2.gz MQYVXPKPZQMIHO-KRWDZBQOSA-N 2 1 315.465 2.831 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](c2cnn(C)c2)C(C)(C)C1 ZINC000578450835 318262145 /nfs/dbraw/zinc/26/21/45/318262145.db2.gz MQYVXPKPZQMIHO-KRWDZBQOSA-N 2 1 315.465 2.831 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]C[C@@H](O)CC(F)(F)F)C1 ZINC000579463411 318331773 /nfs/dbraw/zinc/33/17/73/318331773.db2.gz ROFZKJKIRRLSCK-MJBXVCDLSA-N 2 1 310.404 2.647 20 0 DFADMP COCCN(C)C[C@@H](O)C[N@H+]1CCCCC[C@H]1c1ccccc1 ZINC000579021902 318302265 /nfs/dbraw/zinc/30/22/65/318302265.db2.gz KJFHDRDJKGGINH-MOPGFXCFSA-N 2 1 320.477 2.543 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CC[C@@H](c3nccn3C)C2)c1 ZINC000579254451 318318419 /nfs/dbraw/zinc/31/84/19/318318419.db2.gz JTCBDAKCPOREIQ-OICCZTGUSA-N 2 1 312.417 2.717 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)[C@@H](C)[C@@H]2C)c2ccccn21 ZINC000579483312 318333947 /nfs/dbraw/zinc/33/39/47/318333947.db2.gz LTIQFKSLRULEDO-GJZGRUSLSA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)[C@@H](C)[C@@H]2C)c2ccccn21 ZINC000579483312 318333948 /nfs/dbraw/zinc/33/39/48/318333948.db2.gz LTIQFKSLRULEDO-GJZGRUSLSA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@H+](C)[C@H](C)[C@@H]2C)c2ccccn21 ZINC000579483311 318334215 /nfs/dbraw/zinc/33/42/15/318334215.db2.gz LTIQFKSLRULEDO-CABCVRRESA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[N@@H+](C)[C@H](C)[C@@H]2C)c2ccccn21 ZINC000579483311 318334218 /nfs/dbraw/zinc/33/42/18/318334218.db2.gz LTIQFKSLRULEDO-CABCVRRESA-N 2 1 300.450 2.982 20 0 DFADMP C[C@@H](C[N@@H+](C)CCCN(C)CC[NH+](C)C)c1ccc(F)cc1 ZINC000580128420 318377015 /nfs/dbraw/zinc/37/70/15/318377015.db2.gz GPTXRUKAODRTOH-INIZCTEOSA-N 2 1 309.473 2.745 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000580211896 318384560 /nfs/dbraw/zinc/38/45/60/318384560.db2.gz OFCNMNUREDUBNO-ZWKOTPCHSA-N 2 1 310.457 2.637 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000580211896 318384562 /nfs/dbraw/zinc/38/45/62/318384562.db2.gz OFCNMNUREDUBNO-ZWKOTPCHSA-N 2 1 310.457 2.637 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000580211896 318384563 /nfs/dbraw/zinc/38/45/63/318384563.db2.gz OFCNMNUREDUBNO-ZWKOTPCHSA-N 2 1 310.457 2.637 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](Cc1ccc(F)cc1)C(C)C ZINC000580211896 318384565 /nfs/dbraw/zinc/38/45/65/318384565.db2.gz OFCNMNUREDUBNO-ZWKOTPCHSA-N 2 1 310.457 2.637 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000580211830 318384676 /nfs/dbraw/zinc/38/46/76/318384676.db2.gz LUSUROLNNAFCEF-RBUKOAKNSA-N 2 1 304.478 2.743 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000580211830 318384678 /nfs/dbraw/zinc/38/46/78/318384678.db2.gz LUSUROLNNAFCEF-RBUKOAKNSA-N 2 1 304.478 2.743 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1 ZINC000580211830 318384680 /nfs/dbraw/zinc/38/46/80/318384680.db2.gz LUSUROLNNAFCEF-RBUKOAKNSA-N 2 1 304.478 2.743 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379654566 323290629 /nfs/dbraw/zinc/29/06/29/323290629.db2.gz IYTMZVDZFYREFH-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379654566 323290634 /nfs/dbraw/zinc/29/06/34/323290634.db2.gz IYTMZVDZFYREFH-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000379654566 323290638 /nfs/dbraw/zinc/29/06/38/323290638.db2.gz IYTMZVDZFYREFH-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CCC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379659145 323290998 /nfs/dbraw/zinc/29/09/98/323290998.db2.gz YTLXWASCLIADFM-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000379659145 323291002 /nfs/dbraw/zinc/29/10/02/323291002.db2.gz YTLXWASCLIADFM-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP CN(CC[NH2+]C(C)(C)C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382721947 323301122 /nfs/dbraw/zinc/30/11/22/323301122.db2.gz NSJARHFGDNPEDY-SFHVURJKSA-N 2 1 303.494 2.828 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@@H](C)N(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000382717851 323301296 /nfs/dbraw/zinc/30/12/96/323301296.db2.gz IIPVDUJTYQHGAC-GGPKGHCWSA-N 2 1 315.505 2.971 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000386803417 323320732 /nfs/dbraw/zinc/32/07/32/323320732.db2.gz CDKXCSZHZLKKOE-QZTJIDSGSA-N 2 1 301.478 2.758 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCC1 ZINC000386803417 323320735 /nfs/dbraw/zinc/32/07/35/323320735.db2.gz CDKXCSZHZLKKOE-QZTJIDSGSA-N 2 1 301.478 2.758 20 0 DFADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000387678989 323327366 /nfs/dbraw/zinc/32/73/66/323327366.db2.gz RTHCJJZURKMOPG-KFWWJZLASA-N 2 1 313.486 2.704 20 0 DFADMP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+]1CC(C)C1 ZINC000580845237 323443020 /nfs/dbraw/zinc/44/30/20/323443020.db2.gz XIEQHBIGYVQULV-SUMWQHHRSA-N 2 1 301.434 2.514 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]C2CC3(CCC3)C2)c2cccs2)CC1 ZINC000584515184 337352931 /nfs/dbraw/zinc/35/29/31/337352931.db2.gz FWVSDRCTAUMRFY-INIZCTEOSA-N 2 1 319.518 2.959 20 0 DFADMP Cn1ccnc1[C@H]([NH2+][C@@H]1CC[C@@H](C[NH3+])C1)c1ccccc1Cl ZINC000584524246 337355489 /nfs/dbraw/zinc/35/54/89/337355489.db2.gz ZIWQZTRRLHIIGR-XJKCOSOUSA-N 2 1 318.852 2.880 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cncc(Br)c2)C1 ZINC000584540621 337359707 /nfs/dbraw/zinc/35/97/07/337359707.db2.gz GGCJHRDQARHWHO-RYUDHWBXSA-N 2 1 312.255 2.837 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000584670678 337381330 /nfs/dbraw/zinc/38/13/30/337381330.db2.gz LIYMHYHFTBBYOX-KZNAEPCWSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@@H]1C[C@H](CNc2cc[nH+]cc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000302158057 533876799 /nfs/dbraw/zinc/87/67/99/533876799.db2.gz OHFYSYMVNWUCJA-GDBMZVCRSA-N 2 1 324.428 2.503 20 0 DFADMP C[C@@H]1C[C@H](CNc2cc[nH+]cc2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000302158057 533876806 /nfs/dbraw/zinc/87/68/06/533876806.db2.gz OHFYSYMVNWUCJA-GDBMZVCRSA-N 2 1 324.428 2.503 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)o1 ZINC000316873440 534204483 /nfs/dbraw/zinc/20/44/83/534204483.db2.gz WRNDMLZROXJTBD-LSDHHAIUSA-N 2 1 300.406 2.695 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)o1 ZINC000316873440 534204491 /nfs/dbraw/zinc/20/44/91/534204491.db2.gz WRNDMLZROXJTBD-LSDHHAIUSA-N 2 1 300.406 2.695 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)Cc1cncc(Br)c1 ZINC000157336322 519796377 /nfs/dbraw/zinc/79/63/77/519796377.db2.gz MJHMVFDPACIITB-ZDUSSCGKSA-N 2 1 300.244 2.649 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1cncc(Br)c1 ZINC000157336322 519796378 /nfs/dbraw/zinc/79/63/78/519796378.db2.gz MJHMVFDPACIITB-ZDUSSCGKSA-N 2 1 300.244 2.649 20 0 DFADMP CCN(C(=O)CCC[NH2+]C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000368453898 519904176 /nfs/dbraw/zinc/90/41/76/519904176.db2.gz NCBYYDWSATZBEX-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1ccc2[nH+]ccc(NC3CC[NH+](CCN(C)C)CC3)c2c1 ZINC000302142092 534522998 /nfs/dbraw/zinc/52/29/98/534522998.db2.gz FKDSTFXHRFEHSZ-UHFFFAOYSA-N 2 1 312.461 2.981 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000154546964 521208045 /nfs/dbraw/zinc/20/80/45/521208045.db2.gz SYAWWQIGIKCNJA-HOCLYGCPSA-N 2 1 323.506 2.594 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)C[N@@H+](C)CC1CCCC1)c1ccccc1 ZINC000158050942 522071920 /nfs/dbraw/zinc/07/19/20/522071920.db2.gz JXJBGGRNQPQZEU-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP COC1(C[N@H+]2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)CCOCC1 ZINC000368438000 522601715 /nfs/dbraw/zinc/60/17/15/522601715.db2.gz ISKWQRGHEOGZTO-SFHVURJKSA-N 2 1 324.509 2.626 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)CCC3)CC1 ZINC000154833898 523816429 /nfs/dbraw/zinc/81/64/29/523816429.db2.gz ILBVYSWLCKEDLZ-HNNXBMFYSA-N 2 1 302.462 2.937 20 0 DFADMP Cc1cc(N2CCC([NH2+]Cc3cnccc3C)CC2)nc(C)[nH+]1 ZINC000366317440 525057329 /nfs/dbraw/zinc/05/73/29/525057329.db2.gz UEOFFGKYDVAPEH-UHFFFAOYSA-N 2 1 311.433 2.555 20 0 DFADMP Cc1cc(N2CCC[N@H+]([C@H](C)CO)CC2)c2cc(F)ccc2[nH+]1 ZINC000364978402 525066695 /nfs/dbraw/zinc/06/66/95/525066695.db2.gz HFAHICYAMXXJCS-CQSZACIVSA-N 2 1 317.408 2.575 20 0 DFADMP c1cc(CC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc2c1OCC2 ZINC000266502425 526421460 /nfs/dbraw/zinc/42/14/60/526421460.db2.gz AQECWXDKBLHSNR-KRWDZBQOSA-N 2 1 300.446 2.582 20 0 DFADMP O=C(NC[C@H]1CCC[N@@H+](CCCC2CCCC2)C1)[C@H]1CCC[NH2+]1 ZINC000338149473 526595232 /nfs/dbraw/zinc/59/52/32/526595232.db2.gz FVNNIWMGOIDHHS-QZTJIDSGSA-N 2 1 321.509 2.537 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC000358254478 536481840 /nfs/dbraw/zinc/48/18/40/536481840.db2.gz PTBMOEPIPJAGIB-ACBHZAAOSA-N 2 1 302.462 2.543 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]C2CCC(C)(c3ccccc3)CC2)C1 ZINC000358254478 536481841 /nfs/dbraw/zinc/48/18/41/536481841.db2.gz PTBMOEPIPJAGIB-ACBHZAAOSA-N 2 1 302.462 2.543 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2cc(Cl)ccc2F)CC1 ZINC000157109328 527181462 /nfs/dbraw/zinc/18/14/62/527181462.db2.gz LWOXFDWMJYPPPF-UHFFFAOYSA-N 2 1 300.805 2.809 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156625060 527413442 /nfs/dbraw/zinc/41/34/42/527413442.db2.gz RQJDIRYPRYGXDJ-HNNXBMFYSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](C(=O)OC(C)(C)C)C1 ZINC000156625060 527413447 /nfs/dbraw/zinc/41/34/47/527413447.db2.gz RQJDIRYPRYGXDJ-HNNXBMFYSA-N 2 1 307.438 2.635 20 0 DFADMP CC(C)OCC[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310017775 527964650 /nfs/dbraw/zinc/96/46/50/527964650.db2.gz PFBYBKTZSYKSQF-MOPGFXCFSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCC[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310017775 527964657 /nfs/dbraw/zinc/96/46/57/527964657.db2.gz PFBYBKTZSYKSQF-MOPGFXCFSA-N 2 1 302.462 2.865 20 0 DFADMP CC(C)OCC[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310017775 527964665 /nfs/dbraw/zinc/96/46/65/527964665.db2.gz PFBYBKTZSYKSQF-MOPGFXCFSA-N 2 1 302.462 2.865 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297459972 528353457 /nfs/dbraw/zinc/35/34/57/528353457.db2.gz QAUDNNXNULIKNL-MRXNPFEDSA-N 3 1 304.482 2.760 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297459972 528353459 /nfs/dbraw/zinc/35/34/59/528353459.db2.gz QAUDNNXNULIKNL-MRXNPFEDSA-N 3 1 304.482 2.760 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000299325854 528459283 /nfs/dbraw/zinc/45/92/83/528459283.db2.gz OIPPFXRXTVBNQQ-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC(C)[C@@H](O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000293067132 528625213 /nfs/dbraw/zinc/62/52/13/528625213.db2.gz ZJAMPAKLHXHXSK-SFHVURJKSA-N 2 1 305.466 2.637 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC000361936083 534918583 /nfs/dbraw/zinc/91/85/83/534918583.db2.gz DVYCQZBUYDOXCH-GJZGRUSLSA-N 2 1 320.481 2.774 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@@H](C)C(=O)NC(C)(C)C ZINC000361936083 534918585 /nfs/dbraw/zinc/91/85/85/534918585.db2.gz DVYCQZBUYDOXCH-GJZGRUSLSA-N 2 1 320.481 2.774 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)C[C@@H]3C)c2C1 ZINC000362905887 535145384 /nfs/dbraw/zinc/14/53/84/535145384.db2.gz UJZBBCKRPRSHMZ-GOEBONIOSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)C[C@@H]3C)c2C1 ZINC000362905887 535145385 /nfs/dbraw/zinc/14/53/85/535145385.db2.gz UJZBBCKRPRSHMZ-GOEBONIOSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@@H]3C)c2C1 ZINC000362905887 535145386 /nfs/dbraw/zinc/14/53/86/535145386.db2.gz UJZBBCKRPRSHMZ-GOEBONIOSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)c1ccccc1F ZINC000261883965 535154645 /nfs/dbraw/zinc/15/46/45/535154645.db2.gz FQPMSTVXKTWKAS-ZTFGCOKTSA-N 2 1 320.452 2.850 20 0 DFADMP CCC[N@@H+](C)CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000358554761 535250819 /nfs/dbraw/zinc/25/08/19/535250819.db2.gz KDSOGAPAEXNEHD-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000361730166 535347724 /nfs/dbraw/zinc/34/77/24/535347724.db2.gz WQTWKWAJDCGXPT-IAQYHMDHSA-N 2 1 318.396 2.624 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000358103369 535361739 /nfs/dbraw/zinc/36/17/39/535361739.db2.gz KJWOVWUXCKOLKC-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358103369 535361742 /nfs/dbraw/zinc/36/17/42/535361742.db2.gz KJWOVWUXCKOLKC-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358103369 535361746 /nfs/dbraw/zinc/36/17/46/535361746.db2.gz KJWOVWUXCKOLKC-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261972450 535865053 /nfs/dbraw/zinc/86/50/53/535865053.db2.gz ZDFRJZOYGQOOAC-GVDBMIGSSA-N 2 1 315.461 2.555 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000261972450 535865058 /nfs/dbraw/zinc/86/50/58/535865058.db2.gz ZDFRJZOYGQOOAC-GVDBMIGSSA-N 2 1 315.461 2.555 20 0 DFADMP COc1ccc(NC(=[NH2+])NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000361804866 536713475 /nfs/dbraw/zinc/71/34/75/536713475.db2.gz VOYBGNCQFAQQAD-LQDVMPOASA-N 2 1 302.422 2.504 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CC=C(C)CC2)o1 ZINC000680825716 545547898 /nfs/dbraw/zinc/54/78/98/545547898.db2.gz GEPKWFYFVYCROD-UHFFFAOYSA-N 2 1 319.449 2.503 20 0 DFADMP CC(C)O[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1(C)C ZINC000680939186 545567656 /nfs/dbraw/zinc/56/76/56/545567656.db2.gz JYRJDWLFVLRBRT-KZNAEPCWSA-N 2 1 324.509 2.812 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000681304967 545626463 /nfs/dbraw/zinc/62/64/63/545626463.db2.gz VNXGKEIKHWLKQF-OAGGEKHMSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000681411338 545639183 /nfs/dbraw/zinc/63/91/83/545639183.db2.gz VXQGUJYEIXJDNN-RWQQGDIJSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000681411338 545639185 /nfs/dbraw/zinc/63/91/85/545639185.db2.gz VXQGUJYEIXJDNN-RWQQGDIJSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[NH2+][C@@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000681406053 545639588 /nfs/dbraw/zinc/63/95/88/545639588.db2.gz QYLGVGWTOFNRSW-QGZVFWFLSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[NH2+][C@@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000681406053 545639593 /nfs/dbraw/zinc/63/95/93/545639593.db2.gz QYLGVGWTOFNRSW-QGZVFWFLSA-N 2 1 323.525 2.734 20 0 DFADMP C[N@H+](C[C@H]1CCc2[nH+]ccn2C1)C[C@@H]1CCOc2ccccc21 ZINC000681915028 545752899 /nfs/dbraw/zinc/75/28/99/545752899.db2.gz VFUFPVGVNYEVNP-CVEARBPZSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@@H+](C[C@H]1CCc2[nH+]ccn2C1)C[C@@H]1CCOc2ccccc21 ZINC000681915028 545752904 /nfs/dbraw/zinc/75/29/04/545752904.db2.gz VFUFPVGVNYEVNP-CVEARBPZSA-N 2 1 311.429 2.944 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(CC(=O)NC2CCCC2)CC1 ZINC000683141352 545978607 /nfs/dbraw/zinc/97/86/07/545978607.db2.gz MBRDGJWGDQERNG-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2nccc3ccccc32)CCCO1 ZINC000683344089 546015682 /nfs/dbraw/zinc/01/56/82/546015682.db2.gz LTWLDYUGSGXFCR-INIZCTEOSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2nccc3ccccc32)CCCO1 ZINC000683344089 546015687 /nfs/dbraw/zinc/01/56/87/546015687.db2.gz LTWLDYUGSGXFCR-INIZCTEOSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@H]1CC2(CCC2)C[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000683371525 546020133 /nfs/dbraw/zinc/02/01/33/546020133.db2.gz IMQIRAPFEMXCPS-FUHWJXTLSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H]1CC2(CCC2)C[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000683371525 546020139 /nfs/dbraw/zinc/02/01/39/546020139.db2.gz IMQIRAPFEMXCPS-FUHWJXTLSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H]1CC2(CCC2)C[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000683371525 546020144 /nfs/dbraw/zinc/02/01/44/546020144.db2.gz IMQIRAPFEMXCPS-FUHWJXTLSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H]1CC2(CCC2)C[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000683371525 546020149 /nfs/dbraw/zinc/02/01/49/546020149.db2.gz IMQIRAPFEMXCPS-FUHWJXTLSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000683371524 546020262 /nfs/dbraw/zinc/02/02/62/546020262.db2.gz IMQIRAPFEMXCPS-AEFFLSMTSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1CC2(CCC2)C[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000683371524 546020266 /nfs/dbraw/zinc/02/02/66/546020266.db2.gz IMQIRAPFEMXCPS-AEFFLSMTSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1CC2(CCC2)C[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000683371524 546020270 /nfs/dbraw/zinc/02/02/70/546020270.db2.gz IMQIRAPFEMXCPS-AEFFLSMTSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1CC2(CCC2)C[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000683371524 546020275 /nfs/dbraw/zinc/02/02/75/546020275.db2.gz IMQIRAPFEMXCPS-AEFFLSMTSA-N 2 1 302.462 2.744 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]CC2(C)CCC2)c2cccs2)CC1 ZINC000683435167 546032503 /nfs/dbraw/zinc/03/25/03/546032503.db2.gz DDLSBQMCUJEUIO-OAHLLOKOSA-N 2 1 307.507 2.816 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc2cnccc2c1 ZINC000683769372 546091625 /nfs/dbraw/zinc/09/16/25/546091625.db2.gz SNJPPBQSRKLGHJ-LJQANCHMSA-N 2 1 313.445 2.561 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(C(F)F)cc2)CC1 ZINC000684535205 546238195 /nfs/dbraw/zinc/23/81/95/546238195.db2.gz KJZBPGUKWNIUQI-UHFFFAOYSA-N 2 1 311.420 2.741 20 0 DFADMP C[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1)C(C)(C)C ZINC000685460413 546353155 /nfs/dbraw/zinc/35/31/55/546353155.db2.gz IRJJFNQBUKNLRR-XNHLSEOASA-N 2 1 307.526 2.911 20 0 DFADMP Cc1ccsc1C[N@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457801 546353485 /nfs/dbraw/zinc/35/34/85/546353485.db2.gz OCVLBBJQMKNAQR-INIZCTEOSA-N 2 1 307.507 2.657 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)CC(C)(C)c1ccccc1 ZINC000685458498 546353521 /nfs/dbraw/zinc/35/35/21/546353521.db2.gz PNLQJAXQIFHHIK-UHFFFAOYSA-N 2 1 303.494 2.534 20 0 DFADMP Cc1ccsc1C[N@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457802 546353865 /nfs/dbraw/zinc/35/38/65/546353865.db2.gz OCVLBBJQMKNAQR-MRXNPFEDSA-N 2 1 307.507 2.657 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc2cnccc2c1)CC[NH+](C)C ZINC000685475796 546359051 /nfs/dbraw/zinc/35/90/51/546359051.db2.gz FGBRIVAUDTVIOX-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP CC(C)C[N@H+](CCc1ccc(F)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000685562019 546368018 /nfs/dbraw/zinc/36/80/18/546368018.db2.gz KCLILDVCFXHWMF-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)C[N@@H+](CCc1ccc(F)cc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000685562019 546368024 /nfs/dbraw/zinc/36/80/24/546368024.db2.gz KCLILDVCFXHWMF-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)C[NH+](CCc1ccc(F)cc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000685562019 546368028 /nfs/dbraw/zinc/36/80/28/546368028.db2.gz KCLILDVCFXHWMF-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)C[NH+](CCc1ccc(F)cc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000685562019 546368031 /nfs/dbraw/zinc/36/80/31/546368031.db2.gz KCLILDVCFXHWMF-IBGZPJMESA-N 2 1 322.468 2.781 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577463 546369900 /nfs/dbraw/zinc/36/99/00/546369900.db2.gz TZYJTDVSPJCSJZ-IXDOHACOSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577463 546369904 /nfs/dbraw/zinc/36/99/04/546369904.db2.gz TZYJTDVSPJCSJZ-IXDOHACOSA-N 2 1 305.466 2.973 20 0 DFADMP C[N@@H+](Cc1ccc(C(F)(F)F)cn1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577319 546370746 /nfs/dbraw/zinc/37/07/46/546370746.db2.gz KNMYUPPLGASTNZ-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1ccc(C(F)(F)F)cn1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577319 546370747 /nfs/dbraw/zinc/37/07/47/546370747.db2.gz KNMYUPPLGASTNZ-GFCCVEGCSA-N 2 1 324.350 2.991 20 0 DFADMP C1COC[C@@H]([NH+]2CCCC3(CCC[N@H+]([C@H]4CCCOC4)C3)C2)C1 ZINC000685593189 546373121 /nfs/dbraw/zinc/37/31/21/546373121.db2.gz LFGNJWCOVDPQHT-ADUPEVMXSA-N 2 1 322.493 2.522 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000685651722 546381513 /nfs/dbraw/zinc/38/15/13/546381513.db2.gz DCNPYTBVAACLLU-CABCVRRESA-N 2 1 305.809 2.829 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928937 282085022 /nfs/dbraw/zinc/08/50/22/282085022.db2.gz VNGWSVXWUMPIME-JXXFODFXSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928937 282085026 /nfs/dbraw/zinc/08/50/26/282085026.db2.gz VNGWSVXWUMPIME-JXXFODFXSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928937 282085031 /nfs/dbraw/zinc/08/50/31/282085031.db2.gz VNGWSVXWUMPIME-JXXFODFXSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000360928937 282085036 /nfs/dbraw/zinc/08/50/36/282085036.db2.gz VNGWSVXWUMPIME-JXXFODFXSA-N 2 1 322.456 2.854 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc([S@](C)=O)cc1 ZINC000272876896 210266253 /nfs/dbraw/zinc/26/62/53/210266253.db2.gz BRXWGNXDWLUJKA-HTZUNMPGSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc([S@](C)=O)cc1 ZINC000272876896 210266255 /nfs/dbraw/zinc/26/62/55/210266255.db2.gz BRXWGNXDWLUJKA-HTZUNMPGSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435643 214151354 /nfs/dbraw/zinc/15/13/54/214151354.db2.gz HDUXAQDXUXJLMV-JKSUJKDBSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435641 214151759 /nfs/dbraw/zinc/15/17/59/214151759.db2.gz HDUXAQDXUXJLMV-HZPDHXFCSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@H](O)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000278591511 214259207 /nfs/dbraw/zinc/25/92/07/214259207.db2.gz ANBSZTCTONMXRH-HNNXBMFYSA-N 2 1 308.441 2.583 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCC[NH+]2CCCCC2)o1 ZINC000079073948 185154286 /nfs/dbraw/zinc/15/42/86/185154286.db2.gz HMXHSXAPDICQOY-UHFFFAOYSA-N 2 1 302.422 2.944 20 0 DFADMP CCn1cc(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000310427130 231112708 /nfs/dbraw/zinc/11/27/08/231112708.db2.gz RVZUHSZSRZXRKH-VQTJNVASSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000310427130 231112712 /nfs/dbraw/zinc/11/27/12/231112712.db2.gz RVZUHSZSRZXRKH-VQTJNVASSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000310427130 231112715 /nfs/dbraw/zinc/11/27/15/231112715.db2.gz RVZUHSZSRZXRKH-VQTJNVASSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000310427130 231112719 /nfs/dbraw/zinc/11/27/19/231112719.db2.gz RVZUHSZSRZXRKH-VQTJNVASSA-N 2 1 324.472 2.857 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000066046075 398356198 /nfs/dbraw/zinc/35/61/98/398356198.db2.gz YXSBSZCPMXBJAC-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000066046075 398356200 /nfs/dbraw/zinc/35/62/00/398356200.db2.gz YXSBSZCPMXBJAC-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906858 398350094 /nfs/dbraw/zinc/35/00/94/398350094.db2.gz UAIGDBMBNWCKJO-YOEHRIQHSA-N 2 1 318.465 2.666 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906858 398350096 /nfs/dbraw/zinc/35/00/96/398350096.db2.gz UAIGDBMBNWCKJO-YOEHRIQHSA-N 2 1 318.465 2.666 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906858 398350099 /nfs/dbraw/zinc/35/00/99/398350099.db2.gz UAIGDBMBNWCKJO-YOEHRIQHSA-N 2 1 318.465 2.666 20 0 DFADMP CSc1ccc(C[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000237322559 398369703 /nfs/dbraw/zinc/36/97/03/398369703.db2.gz GFRSWJBPWUOIEA-UHFFFAOYSA-N 2 1 307.507 2.526 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000237548544 398371917 /nfs/dbraw/zinc/37/19/17/398371917.db2.gz ZCLPXGYOKQBCDC-SOLBZPMBSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459371042 299089800 /nfs/dbraw/zinc/08/98/00/299089800.db2.gz HYERTQRQUVJQNO-IAGOWNOFSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000090546872 185302117 /nfs/dbraw/zinc/30/21/17/185302117.db2.gz WTQIKMJCNIERQE-IIAWOOMASA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc2c1OCCCO2 ZINC000090546872 185302118 /nfs/dbraw/zinc/30/21/18/185302118.db2.gz WTQIKMJCNIERQE-IIAWOOMASA-N 2 1 304.434 2.666 20 0 DFADMP Cc1ncc(C[NH2+]CCCn2cc[nH+]c2C)n1-c1ccccc1 ZINC000084016044 398392034 /nfs/dbraw/zinc/39/20/34/398392034.db2.gz RBQUZSIIHUGWBE-UHFFFAOYSA-N 2 1 309.417 2.866 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)s1 ZINC000092738771 185338038 /nfs/dbraw/zinc/33/80/38/185338038.db2.gz NCSHMCFOMKZTHY-GXTWGEPZSA-N 2 1 323.506 2.775 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)s1 ZINC000092738771 185338039 /nfs/dbraw/zinc/33/80/39/185338039.db2.gz NCSHMCFOMKZTHY-GXTWGEPZSA-N 2 1 323.506 2.775 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+](C)CCc2cncn2C)cc1 ZINC000459397523 299095985 /nfs/dbraw/zinc/09/59/85/299095985.db2.gz WSWBAFBXBJOMLN-HNNXBMFYSA-N 2 1 301.434 2.782 20 0 DFADMP C[C@H]([NH2+]CCn1cc(Cl)cn1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000459405871 299098331 /nfs/dbraw/zinc/09/83/31/299098331.db2.gz OCPSZYVRVWPDMY-UONOGXRCSA-N 2 1 310.873 2.779 20 0 DFADMP CC(C)[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000459410164 299099240 /nfs/dbraw/zinc/09/92/40/299099240.db2.gz BZBFFHGIFUYAMR-MOPGFXCFSA-N 2 1 301.478 2.533 20 0 DFADMP CC(C)[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000459410164 299099243 /nfs/dbraw/zinc/09/92/43/299099243.db2.gz BZBFFHGIFUYAMR-MOPGFXCFSA-N 2 1 301.478 2.533 20 0 DFADMP CC(C)[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000459410164 299099247 /nfs/dbraw/zinc/09/92/47/299099247.db2.gz BZBFFHGIFUYAMR-MOPGFXCFSA-N 2 1 301.478 2.533 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]CCc2ccc(Cl)cc2)CC1 ZINC000459408958 299099576 /nfs/dbraw/zinc/09/95/76/299099576.db2.gz NKPWIFDPXHRTPQ-UHFFFAOYSA-N 2 1 323.912 2.746 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895198 529811195 /nfs/dbraw/zinc/81/11/95/529811195.db2.gz ZKJIMMVGCDVPQT-IBGZPJMESA-N 2 1 324.428 2.797 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895198 529811196 /nfs/dbraw/zinc/81/11/96/529811196.db2.gz ZKJIMMVGCDVPQT-IBGZPJMESA-N 2 1 324.428 2.797 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895198 529811198 /nfs/dbraw/zinc/81/11/98/529811198.db2.gz ZKJIMMVGCDVPQT-IBGZPJMESA-N 2 1 324.428 2.797 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895198 529811199 /nfs/dbraw/zinc/81/11/99/529811199.db2.gz ZKJIMMVGCDVPQT-IBGZPJMESA-N 2 1 324.428 2.797 20 0 DFADMP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000592379376 398418953 /nfs/dbraw/zinc/41/89/53/398418953.db2.gz MNTKZLDTDJXLBL-UGUYLWEFSA-N 2 1 308.466 2.713 20 0 DFADMP CC(C)[C@H]1CCCC[N@@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000261423447 398428769 /nfs/dbraw/zinc/42/87/69/398428769.db2.gz ILQYLGBGSLNMRA-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H]1CCCC[N@H+]1C[C@@H](O)C[NH+](C)Cc1ccccc1 ZINC000261423447 398428770 /nfs/dbraw/zinc/42/87/70/398428770.db2.gz ILQYLGBGSLNMRA-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261423447 398428772 /nfs/dbraw/zinc/42/87/72/398428772.db2.gz ILQYLGBGSLNMRA-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H]1CCCC[NH+]1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000261423447 398428773 /nfs/dbraw/zinc/42/87/73/398428773.db2.gz ILQYLGBGSLNMRA-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1[NH2+]CCCC1(C)C)C1CCCCC1 ZINC000319624544 529891287 /nfs/dbraw/zinc/89/12/87/529891287.db2.gz FSJAHEOPKTZIJL-INIZCTEOSA-N 2 1 309.498 2.535 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@@H]21 ZINC000592403448 398422771 /nfs/dbraw/zinc/42/27/71/398422771.db2.gz LIJUSRPYDSGXEI-BIVLZKPYSA-N 2 1 322.493 2.959 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000262547108 398431716 /nfs/dbraw/zinc/43/17/16/398431716.db2.gz MRDFOSOAYWUGIT-ROUUACIJSA-N 2 1 317.477 2.800 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]1SC ZINC000459430926 299104292 /nfs/dbraw/zinc/10/42/92/299104292.db2.gz RZHYDDSWZTWXLQ-TWMKSMIVSA-N 2 1 312.523 2.750 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)s1 ZINC000592492161 398433584 /nfs/dbraw/zinc/43/35/84/398433584.db2.gz SOOLSKXXNNXAAK-ZIAGYGMSSA-N 2 1 322.474 2.746 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272769151 210175003 /nfs/dbraw/zinc/17/50/03/210175003.db2.gz RYYJICPJOUHSJM-NVXWUHKLSA-N 2 1 318.461 2.828 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000272769151 210175006 /nfs/dbraw/zinc/17/50/06/210175006.db2.gz RYYJICPJOUHSJM-NVXWUHKLSA-N 2 1 318.461 2.828 20 0 DFADMP CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000585817139 398450089 /nfs/dbraw/zinc/45/00/89/398450089.db2.gz PVXJCSVSUYFBMX-OKZBNKHCSA-N 2 1 322.518 2.743 20 0 DFADMP CCS[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000585817139 398450095 /nfs/dbraw/zinc/45/00/95/398450095.db2.gz PVXJCSVSUYFBMX-OKZBNKHCSA-N 2 1 322.518 2.743 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](C)C2)cc1)C(C)C ZINC000586754170 398453136 /nfs/dbraw/zinc/45/31/36/398453136.db2.gz UIYUZHUQODGTNC-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CCC[N@H+](C)C2)cc1)C(C)C ZINC000586754170 398453137 /nfs/dbraw/zinc/45/31/37/398453137.db2.gz UIYUZHUQODGTNC-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cc1)C(C)C ZINC000586754170 398453138 /nfs/dbraw/zinc/45/31/38/398453138.db2.gz UIYUZHUQODGTNC-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](C)C2)cc1 ZINC000586754195 398453470 /nfs/dbraw/zinc/45/34/70/398453470.db2.gz ZQESIMYTXILOAS-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@H+](C)C2)cc1 ZINC000586754195 398453475 /nfs/dbraw/zinc/45/34/75/398453475.db2.gz ZQESIMYTXILOAS-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000586754195 398453477 /nfs/dbraw/zinc/45/34/77/398453477.db2.gz ZQESIMYTXILOAS-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCCC1 ZINC000089593471 398458233 /nfs/dbraw/zinc/45/82/33/398458233.db2.gz GYBQGWFOWJYQLK-INIZCTEOSA-N 2 1 321.509 2.774 20 0 DFADMP CCn1nncc1C[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000459479758 299116716 /nfs/dbraw/zinc/11/67/16/299116716.db2.gz VDKKRTKIVJKESI-UHFFFAOYSA-N 2 1 319.497 2.632 20 0 DFADMP c1ccc2nc(NCC[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)ccc2c1 ZINC000090229577 398485568 /nfs/dbraw/zinc/48/55/68/398485568.db2.gz FCVPHZDYDFGMCU-DLBZAZTESA-N 2 1 310.445 2.863 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000090455452 398487203 /nfs/dbraw/zinc/48/72/03/398487203.db2.gz PDKKRGGKBHZUMR-ATZDWAIDSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3n[nH]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000090455452 398487204 /nfs/dbraw/zinc/48/72/04/398487204.db2.gz PDKKRGGKBHZUMR-ATZDWAIDSA-N 2 1 324.472 2.910 20 0 DFADMP CN(CCC[N@@H+](C)CC1CCC(F)(F)CC1)CC[NH+](C)C ZINC000459518328 299123728 /nfs/dbraw/zinc/12/37/28/299123728.db2.gz FTVSOUFTWSKLRC-UHFFFAOYSA-N 2 1 305.457 2.627 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)[C@H](C)C1 ZINC000090920755 398496374 /nfs/dbraw/zinc/49/63/74/398496374.db2.gz WMILDRSYZXHZBE-RLCCDNCMSA-N 2 1 314.832 2.832 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912146 398497031 /nfs/dbraw/zinc/49/70/31/398497031.db2.gz ZYBCHSWXURAINS-CPUCHLNUSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(OC2CCC2)c1 ZINC000090912146 398497035 /nfs/dbraw/zinc/49/70/35/398497035.db2.gz ZYBCHSWXURAINS-CPUCHLNUSA-N 2 1 303.450 2.831 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920329 398497342 /nfs/dbraw/zinc/49/73/42/398497342.db2.gz YPFZWLHXZBSCED-VCBZYWHSSA-N 2 1 312.461 2.905 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000090936489 398497429 /nfs/dbraw/zinc/49/74/29/398497429.db2.gz CXCGYLUWINUHOG-UXLLHSPISA-N 2 1 320.477 2.812 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3ccc(C)cc3)C2)CC1 ZINC000181858534 199363791 /nfs/dbraw/zinc/36/37/91/199363791.db2.gz GBQRZQDFJFFONH-HXUWFJFHSA-N 2 1 315.505 2.639 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]CCCc1c[nH+]cn1C ZINC000314804039 398521877 /nfs/dbraw/zinc/52/18/77/398521877.db2.gz XJPOYEMIYFEAKJ-UHFFFAOYSA-N 2 1 314.477 2.853 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000091632257 398539147 /nfs/dbraw/zinc/53/91/47/398539147.db2.gz XNERBYHAHKEXBA-LBPRGKRZSA-N 2 1 305.378 2.654 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000091632257 398539149 /nfs/dbraw/zinc/53/91/49/398539149.db2.gz XNERBYHAHKEXBA-LBPRGKRZSA-N 2 1 305.378 2.654 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2c(C)nc3sc(C)cn23)CC1 ZINC000036822497 398553987 /nfs/dbraw/zinc/55/39/87/398553987.db2.gz QWIHPTDFKPQVQZ-UHFFFAOYSA-N 2 1 306.479 2.977 20 0 DFADMP COC(=O)c1oc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)cc1C ZINC000597055636 398556655 /nfs/dbraw/zinc/55/66/55/398556655.db2.gz MFXDKIBFUJMFBR-AWEZNQCLSA-N 2 1 308.422 2.585 20 0 DFADMP CC(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000414329266 295788573 /nfs/dbraw/zinc/78/85/73/295788573.db2.gz BBTWTETVFQGZRU-BFYDXBDKSA-N 2 1 309.498 2.532 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@H]([NH3+])C1 ZINC000361720121 534918473 /nfs/dbraw/zinc/91/84/73/534918473.db2.gz XPNLEUGANSOIIQ-PMPSAXMXSA-N 2 1 318.465 2.515 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cnc3n2CCC3)C[C@@H]1C(=O)OC(C)(C)C ZINC000597154004 398576352 /nfs/dbraw/zinc/57/63/52/398576352.db2.gz KQFGUPYFZNKINO-ZFWWWQNUSA-N 2 1 319.449 2.629 20 0 DFADMP C[C@H]1CCN(Cc2cnc3n2CCC3)C[C@@H]1C(=O)OC(C)(C)C ZINC000597154004 398576355 /nfs/dbraw/zinc/57/63/55/398576355.db2.gz KQFGUPYFZNKINO-ZFWWWQNUSA-N 2 1 319.449 2.629 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000069754211 398582758 /nfs/dbraw/zinc/58/27/58/398582758.db2.gz JWWYPLVLSJDSFY-UHFFFAOYSA-N 2 1 321.808 2.796 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H]1SC ZINC000597209212 398591109 /nfs/dbraw/zinc/59/11/09/398591109.db2.gz RDNZYDKVQBICRA-XBVQOTNRSA-N 2 1 312.523 2.892 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H]1SC ZINC000597209212 398591112 /nfs/dbraw/zinc/59/11/12/398591112.db2.gz RDNZYDKVQBICRA-XBVQOTNRSA-N 2 1 312.523 2.892 20 0 DFADMP COc1ccc(COCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000133654218 186003287 /nfs/dbraw/zinc/00/32/87/186003287.db2.gz XQJSLOFJDCDBOI-IIDMSEBBSA-N 2 1 306.450 2.530 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(CCNC(C)=O)cc2)CC1 ZINC000092720541 398597931 /nfs/dbraw/zinc/59/79/31/398597931.db2.gz DFURFRPWXFPZLR-OAHLLOKOSA-N 2 1 317.477 2.500 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000590125430 398597950 /nfs/dbraw/zinc/59/79/50/398597950.db2.gz RHEZQHVMSZBTIT-UHFFFAOYSA-N 2 1 316.424 2.785 20 0 DFADMP C[C@H](C1CC1)[N@@H+](C[C@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590125134 398598430 /nfs/dbraw/zinc/59/84/30/398598430.db2.gz IXSTYAKSLXRIER-DNVCBOLYSA-N 2 1 302.462 2.742 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@H](C)C1 ZINC000152513627 186080762 /nfs/dbraw/zinc/08/07/62/186080762.db2.gz VWRLJOJIPBGAMI-AOIWGVFYSA-N 2 1 301.478 2.833 20 0 DFADMP OC[C@@H](Cc1ccccc1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000152685580 186096996 /nfs/dbraw/zinc/09/69/96/186096996.db2.gz FAQXYFLLFFMLAV-OAQYLSRUSA-N 2 1 324.468 2.844 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2c[nH]nc2-c2ccc(Cl)cc2)CC1 ZINC000072726306 398633917 /nfs/dbraw/zinc/63/39/17/398633917.db2.gz BGEPRGKXIADNBI-UHFFFAOYSA-N 2 1 304.825 2.914 20 0 DFADMP COCCOCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000175706988 186190449 /nfs/dbraw/zinc/19/04/49/186190449.db2.gz JZCDRLQEGFQSDP-HKUYNNGSSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000175706988 186190451 /nfs/dbraw/zinc/19/04/51/186190451.db2.gz JZCDRLQEGFQSDP-HKUYNNGSSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175706988 186190453 /nfs/dbraw/zinc/19/04/53/186190453.db2.gz JZCDRLQEGFQSDP-HKUYNNGSSA-N 2 1 320.477 2.634 20 0 DFADMP COCCOCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000175706988 186190455 /nfs/dbraw/zinc/19/04/55/186190455.db2.gz JZCDRLQEGFQSDP-HKUYNNGSSA-N 2 1 320.477 2.634 20 0 DFADMP C[C@@H](Cc1ccccc1F)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000187994278 186241256 /nfs/dbraw/zinc/24/12/56/186241256.db2.gz UEHWKYUYKDTUNW-DOTOQJQBSA-N 2 1 308.441 2.583 20 0 DFADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000287193152 219370666 /nfs/dbraw/zinc/37/06/66/219370666.db2.gz VYQXGABPWLOBAR-ULQDDVLXSA-N 2 1 308.853 2.980 20 0 DFADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000287193152 219370668 /nfs/dbraw/zinc/37/06/68/219370668.db2.gz VYQXGABPWLOBAR-ULQDDVLXSA-N 2 1 308.853 2.980 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459720999 299172539 /nfs/dbraw/zinc/17/25/39/299172539.db2.gz AAWHISVXWCDNMJ-HZPDHXFCSA-N 2 1 303.450 2.725 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)CC1 ZINC000590698962 398654381 /nfs/dbraw/zinc/65/43/81/398654381.db2.gz QXFYYICOAWXTDL-HZPDHXFCSA-N 2 1 315.452 2.522 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=O)c2ccc(Nc3cc[nH+]cc3)cc2)C1 ZINC000073013037 398655665 /nfs/dbraw/zinc/65/56/65/398655665.db2.gz ZFGAEQROXHHWEJ-AWEZNQCLSA-N 2 1 310.401 2.507 20 0 DFADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H](C[NH3+])CC(C)C ZINC000414831556 295823556 /nfs/dbraw/zinc/82/35/56/295823556.db2.gz CLUQYRGEVINKOU-HOTGVXAUSA-N 2 1 308.466 2.988 20 0 DFADMP CC(C)n1ncnc1CNCC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000379632685 398658551 /nfs/dbraw/zinc/65/85/51/398658551.db2.gz NWBNTJVBOGSNFH-MRXNPFEDSA-N 2 1 315.465 2.859 20 0 DFADMP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000593593637 398659458 /nfs/dbraw/zinc/65/94/58/398659458.db2.gz DYRQYOHJRYWDJO-CABCVRRESA-N 2 1 321.465 2.936 20 0 DFADMP Cc1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000386762561 398664324 /nfs/dbraw/zinc/66/43/24/398664324.db2.gz FSLUZMGPNTUGHP-JKSUJKDBSA-N 2 1 303.406 2.867 20 0 DFADMP Cc1c(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cccc1[N+](=O)[O-] ZINC000386762561 398664328 /nfs/dbraw/zinc/66/43/28/398664328.db2.gz FSLUZMGPNTUGHP-JKSUJKDBSA-N 2 1 303.406 2.867 20 0 DFADMP C[C@]1(C[NH2+]Cc2c(C3CC3)nc3sccn23)CCC[NH2+]C1 ZINC000414899480 295832355 /nfs/dbraw/zinc/83/23/55/295832355.db2.gz HEAVANRZCKSXOW-INIZCTEOSA-N 2 1 304.463 2.753 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414954407 295840318 /nfs/dbraw/zinc/84/03/18/295840318.db2.gz KPWIZWIONQSCGT-SJKOYZFVSA-N 2 1 318.852 2.922 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NCC2CCCCC2)CC1 ZINC000590786719 398674132 /nfs/dbraw/zinc/67/41/32/398674132.db2.gz KIGILUUMGFDHLZ-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414974997 295843206 /nfs/dbraw/zinc/84/32/06/295843206.db2.gz OBUZAQILKWRIRG-AWEZNQCLSA-N 2 1 302.447 2.683 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCC(C)CC2)CC1 ZINC000590787120 398675142 /nfs/dbraw/zinc/67/51/42/398675142.db2.gz XJDZVMFPNFXWKY-KRWDZBQOSA-N 2 1 323.525 2.686 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000414992534 295844607 /nfs/dbraw/zinc/84/46/07/295844607.db2.gz BUHUQYTZBBLNJS-QZTJIDSGSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000415001562 295846149 /nfs/dbraw/zinc/84/61/49/295846149.db2.gz MMYNPAYFXWWFOY-OCCSQVGLSA-N 2 1 300.368 2.981 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2ncc(C(F)(F)F)s2)C1 ZINC000459783479 299191757 /nfs/dbraw/zinc/19/17/57/299191757.db2.gz NHPBAHZQHXCWBA-SNVBAGLBSA-N 2 1 307.385 2.983 20 0 DFADMP [NH3+]C[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000415029552 295848753 /nfs/dbraw/zinc/84/87/53/295848753.db2.gz DUBBJKKNJRIYSS-QFBILLFUSA-N 3 1 319.468 2.550 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1O ZINC000415043714 295850603 /nfs/dbraw/zinc/85/06/03/295850603.db2.gz BAZPFEIXNIGGKZ-CZUORRHYSA-N 2 1 306.450 2.829 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ncc(Br)s2)C1 ZINC000459791898 299193907 /nfs/dbraw/zinc/19/39/07/299193907.db2.gz SCEZDYONJIXYTQ-JTQLQIEISA-N 2 1 318.284 2.727 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000277139300 213320660 /nfs/dbraw/zinc/32/06/60/213320660.db2.gz ZZPIXHMRVLHXPH-HOTGVXAUSA-N 2 1 307.344 2.590 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000415080295 295855494 /nfs/dbraw/zinc/85/54/94/295855494.db2.gz JFYLPCWNTMAJPS-DGCLKSJQSA-N 2 1 310.825 2.731 20 0 DFADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000415080296 295855630 /nfs/dbraw/zinc/85/56/30/295855630.db2.gz JFYLPCWNTMAJPS-WCQYABFASA-N 2 1 310.825 2.731 20 0 DFADMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404361329 398691613 /nfs/dbraw/zinc/69/16/13/398691613.db2.gz FJDAIFXIFMBXAR-SWLSCSKDSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404361329 398691618 /nfs/dbraw/zinc/69/16/18/398691618.db2.gz FJDAIFXIFMBXAR-SWLSCSKDSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404361330 398691722 /nfs/dbraw/zinc/69/17/22/398691722.db2.gz FJDAIFXIFMBXAR-WFASDCNBSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404361330 398691724 /nfs/dbraw/zinc/69/17/24/398691724.db2.gz FJDAIFXIFMBXAR-WFASDCNBSA-N 2 1 307.394 2.553 20 0 DFADMP C[C@@H](NC(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C)c1cccs1 ZINC000173952282 198272213 /nfs/dbraw/zinc/27/22/13/198272213.db2.gz CLSYIVPEZHUINP-CABCVRRESA-N 2 1 323.506 2.732 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1ccccc1 ZINC000415110316 295859370 /nfs/dbraw/zinc/85/93/70/295859370.db2.gz SMJVRQZXKRZRRK-UAGQMJEPSA-N 2 1 304.434 2.657 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cs1 ZINC000415119269 295860561 /nfs/dbraw/zinc/86/05/61/295860561.db2.gz FFCHCQLHRIKUDL-CVEARBPZSA-N 2 1 323.506 2.985 20 0 DFADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)[nH]1 ZINC000590942504 398704903 /nfs/dbraw/zinc/70/49/03/398704903.db2.gz MKHRWNCDELRYOW-UHFFFAOYSA-N 2 1 305.466 2.866 20 0 DFADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)[nH]1 ZINC000590942504 398704906 /nfs/dbraw/zinc/70/49/06/398704906.db2.gz MKHRWNCDELRYOW-UHFFFAOYSA-N 2 1 305.466 2.866 20 0 DFADMP CCCCc1nc2ccc(NC(=O)C[C@@H]3CC[NH2+]C3)cc2[nH]1 ZINC000130460639 283049877 /nfs/dbraw/zinc/04/98/77/283049877.db2.gz NMRUFGMOYPVFKP-LBPRGKRZSA-N 2 1 300.406 2.844 20 0 DFADMP CCCN(C(=O)[C@H]([NH3+])CC)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000130366561 283047219 /nfs/dbraw/zinc/04/72/19/283047219.db2.gz CLEAVZRENVQVSR-QZTJIDSGSA-N 2 1 317.477 2.627 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCC(=O)Nc1ccccc1C ZINC000130826650 283062660 /nfs/dbraw/zinc/06/26/60/283062660.db2.gz FGJKTYRRRGIBDM-UHFFFAOYSA-N 2 1 314.433 2.851 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCC(=O)Nc1ccccc1C ZINC000130826650 283062663 /nfs/dbraw/zinc/06/26/63/283062663.db2.gz FGJKTYRRRGIBDM-UHFFFAOYSA-N 2 1 314.433 2.851 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](NCc2cccnc2C)[C@H](C)C1 ZINC000115628383 398754255 /nfs/dbraw/zinc/75/42/55/398754255.db2.gz OWUYXKGBAQMJNF-CRAIPNDOSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2C)[C@H](C)C1 ZINC000115628383 398754265 /nfs/dbraw/zinc/75/42/65/398754265.db2.gz OWUYXKGBAQMJNF-CRAIPNDOSA-N 2 1 305.466 2.617 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCC2 ZINC000591578247 398772734 /nfs/dbraw/zinc/77/27/34/398772734.db2.gz GKBXNJOEAPCZQH-KGLIPLIRSA-N 2 1 320.433 2.874 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2ccccc2C)C1 ZINC000081516908 192275610 /nfs/dbraw/zinc/27/56/10/192275610.db2.gz DTLHFYQDWBSFOP-QGZVFWFLSA-N 2 1 317.477 2.987 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000081516908 192275612 /nfs/dbraw/zinc/27/56/12/192275612.db2.gz DTLHFYQDWBSFOP-QGZVFWFLSA-N 2 1 317.477 2.987 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000081516908 192275614 /nfs/dbraw/zinc/27/56/14/192275614.db2.gz DTLHFYQDWBSFOP-QGZVFWFLSA-N 2 1 317.477 2.987 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2cnc(C3CC3)s2)C[C@H](C)O1 ZINC000134251477 283179112 /nfs/dbraw/zinc/17/91/12/283179112.db2.gz OMAKULVALHFKNE-OKILXGFUSA-N 2 1 323.506 3.000 20 0 DFADMP CCC[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729277 299246317 /nfs/dbraw/zinc/24/63/17/299246317.db2.gz DIJMYPDNDKXXPU-FUHWJXTLSA-N 2 1 323.525 2.876 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000236886887 202052307 /nfs/dbraw/zinc/05/23/07/202052307.db2.gz LNUAXVSODHIPPU-YJBOKZPZSA-N 2 1 317.477 2.805 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2SC)C1 ZINC000236904344 202063789 /nfs/dbraw/zinc/06/37/89/202063789.db2.gz YALPTRLBZBISBC-CYBMUJFWSA-N 2 1 324.490 2.857 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2cc(OC)c(OC)cc2SC)C1 ZINC000236904344 202063791 /nfs/dbraw/zinc/06/37/91/202063791.db2.gz YALPTRLBZBISBC-CYBMUJFWSA-N 2 1 324.490 2.857 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc3cc[nH]c32)CC1 ZINC000236939737 202082541 /nfs/dbraw/zinc/08/25/41/202082541.db2.gz HBYACSIYLUUIBF-UHFFFAOYSA-N 2 1 314.477 2.675 20 0 DFADMP CC[C@@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000134617024 283194499 /nfs/dbraw/zinc/19/44/99/283194499.db2.gz RXIOOLNHHABFIQ-LPHOPBHVSA-N 2 1 317.477 2.545 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)cc1)C(C)C ZINC000236994244 202113308 /nfs/dbraw/zinc/11/33/08/202113308.db2.gz CYSXRYUIBMDBOV-UHFFFAOYSA-N 2 1 317.477 2.918 20 0 DFADMP C[N@H+]1CCC[C@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000121226910 398786517 /nfs/dbraw/zinc/78/65/17/398786517.db2.gz GEKHBGJFXYBZJS-GOSISDBHSA-N 2 1 301.478 2.582 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH+]1CCC([NH+](C)C)CC1 ZINC000134983346 283204924 /nfs/dbraw/zinc/20/49/24/283204924.db2.gz JWFKJIPSNXMVGE-UHFFFAOYSA-N 2 1 321.490 2.763 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000247278080 283209132 /nfs/dbraw/zinc/20/91/32/283209132.db2.gz FUFNWKRXOFPPLP-IRXDYDNUSA-N 2 1 311.514 2.830 20 0 DFADMP C[NH2+]CCCC(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000237185229 202180086 /nfs/dbraw/zinc/18/00/86/202180086.db2.gz GQRIEOPEDUVFBI-MRXNPFEDSA-N 2 1 317.477 2.534 20 0 DFADMP C[N@@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000237192827 202182159 /nfs/dbraw/zinc/18/21/59/202182159.db2.gz SSVUYHKRCKPAEH-QGZVFWFLSA-N 2 1 309.413 2.555 20 0 DFADMP C[N@H+]1CCN(C(=O)C[C@@H]([NH3+])c2ccccc2)c2ccccc2C1 ZINC000237192827 202182165 /nfs/dbraw/zinc/18/21/65/202182165.db2.gz SSVUYHKRCKPAEH-QGZVFWFLSA-N 2 1 309.413 2.555 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000416336206 295943218 /nfs/dbraw/zinc/94/32/18/295943218.db2.gz YFXYMDVGHYTYCK-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000138252233 283256546 /nfs/dbraw/zinc/25/65/46/283256546.db2.gz FWKHLPAFPWPBNS-JKSUJKDBSA-N 2 1 318.490 2.835 20 0 DFADMP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000138252233 283256550 /nfs/dbraw/zinc/25/65/50/283256550.db2.gz FWKHLPAFPWPBNS-JKSUJKDBSA-N 2 1 318.490 2.835 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000591893763 398804127 /nfs/dbraw/zinc/80/41/27/398804127.db2.gz VNHNRTAPJWSDES-JYYAWHABSA-N 2 1 318.465 2.616 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000591893763 398804131 /nfs/dbraw/zinc/80/41/31/398804131.db2.gz VNHNRTAPJWSDES-JYYAWHABSA-N 2 1 318.465 2.616 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000179502985 199046702 /nfs/dbraw/zinc/04/67/02/199046702.db2.gz NPNNYWPDCNWMOL-HCKVZZMMSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000179502985 199046704 /nfs/dbraw/zinc/04/67/04/199046704.db2.gz NPNNYWPDCNWMOL-HCKVZZMMSA-N 2 1 300.805 2.585 20 0 DFADMP CCOC(=O)CC[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000127610314 398822100 /nfs/dbraw/zinc/82/21/00/398822100.db2.gz RMRYJTBDHQHOTM-MRXNPFEDSA-N 2 1 307.438 2.637 20 0 DFADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000127610314 398822102 /nfs/dbraw/zinc/82/21/02/398822102.db2.gz RMRYJTBDHQHOTM-MRXNPFEDSA-N 2 1 307.438 2.637 20 0 DFADMP C[N@H+](CCOCCOc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000075860519 398825148 /nfs/dbraw/zinc/82/51/48/398825148.db2.gz DVXBURRLMFJWNV-GOSISDBHSA-N 2 1 320.477 2.888 20 0 DFADMP C[N@@H+](CCOCCOc1ccccc1)CC[C@H]1CCCC[NH+]1C ZINC000075860519 398825151 /nfs/dbraw/zinc/82/51/51/398825151.db2.gz DVXBURRLMFJWNV-GOSISDBHSA-N 2 1 320.477 2.888 20 0 DFADMP C[NH+](CCOCCOc1ccccc1)CC[C@H]1CCCC[N@@H+]1C ZINC000075860519 398825154 /nfs/dbraw/zinc/82/51/54/398825154.db2.gz DVXBURRLMFJWNV-GOSISDBHSA-N 2 1 320.477 2.888 20 0 DFADMP C[NH+](CCOCCOc1ccccc1)CC[C@H]1CCCC[N@H+]1C ZINC000075860519 398825158 /nfs/dbraw/zinc/82/51/58/398825158.db2.gz DVXBURRLMFJWNV-GOSISDBHSA-N 2 1 320.477 2.888 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOCC(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000276696601 213052513 /nfs/dbraw/zinc/05/25/13/213052513.db2.gz SYYXRGPHXYWNSZ-ZBFHGGJFSA-N 2 1 312.404 2.911 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOCC(F)F)CC[N@H+]1Cc1ccccc1 ZINC000276696601 213052517 /nfs/dbraw/zinc/05/25/17/213052517.db2.gz SYYXRGPHXYWNSZ-ZBFHGGJFSA-N 2 1 312.404 2.911 20 0 DFADMP CCOC(=O)c1ccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000180132159 199121195 /nfs/dbraw/zinc/12/11/95/199121195.db2.gz GRXRPRRUBZJUGI-CQSZACIVSA-N 2 1 317.389 2.626 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000180132159 199121197 /nfs/dbraw/zinc/12/11/97/199121197.db2.gz GRXRPRRUBZJUGI-CQSZACIVSA-N 2 1 317.389 2.626 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@H](n3ccnc3)C2)cc1 ZINC000594732908 398851353 /nfs/dbraw/zinc/85/13/53/398851353.db2.gz QELUGLHROBIWPY-KRWDZBQOSA-N 2 1 315.417 2.745 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000180996267 199238548 /nfs/dbraw/zinc/23/85/48/199238548.db2.gz JJWQNOBJTIOSEJ-APWZRJJASA-N 2 1 300.446 2.699 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000172118857 283384586 /nfs/dbraw/zinc/38/45/86/283384586.db2.gz HZTCQEARSPPPQE-GFCCVEGCSA-N 2 1 317.824 2.919 20 0 DFADMP COC(=O)c1cccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000173950816 283391494 /nfs/dbraw/zinc/39/14/94/283391494.db2.gz BZWDCEYDHOKOFC-KRWDZBQOSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1cccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000173950816 283391496 /nfs/dbraw/zinc/39/14/96/283391496.db2.gz BZWDCEYDHOKOFC-KRWDZBQOSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1cccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000173950816 283391497 /nfs/dbraw/zinc/39/14/97/283391497.db2.gz BZWDCEYDHOKOFC-KRWDZBQOSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1cccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000173950816 283391498 /nfs/dbraw/zinc/39/14/98/283391498.db2.gz BZWDCEYDHOKOFC-KRWDZBQOSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000595013867 398891935 /nfs/dbraw/zinc/89/19/35/398891935.db2.gz ULJOTCSIAPYQFV-UONOGXRCSA-N 2 1 309.454 2.785 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cncc(F)c1 ZINC000178039372 299290239 /nfs/dbraw/zinc/29/02/39/299290239.db2.gz UOVULTHNAVFXGU-ZNMIVQPWSA-N 2 1 309.429 2.761 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(SCC)CC2)[C@@H](C)C1 ZINC000595098227 398904368 /nfs/dbraw/zinc/90/43/68/398904368.db2.gz DZIINMKKZMTMGE-HOTGVXAUSA-N 2 1 314.539 2.999 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000187050504 200052979 /nfs/dbraw/zinc/05/29/79/200052979.db2.gz CSOYMMWVOLCHGF-IBGZPJMESA-N 2 1 304.478 2.690 20 0 DFADMP COC(=O)CC1CCC([NH2+]CCCCn2cc[nH+]c2C)CC1 ZINC000599034873 398910846 /nfs/dbraw/zinc/91/08/46/398910846.db2.gz QQOGZBOZFDZMMQ-UHFFFAOYSA-N 2 1 307.438 2.683 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c1 ZINC000599071651 398917461 /nfs/dbraw/zinc/91/74/61/398917461.db2.gz RUAKSRHUDQRIMV-STQMWFEESA-N 2 1 310.463 2.917 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1 ZINC000599071651 398917462 /nfs/dbraw/zinc/91/74/62/398917462.db2.gz RUAKSRHUDQRIMV-STQMWFEESA-N 2 1 310.463 2.917 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(-n2cccn2)cc1 ZINC000237581324 202292031 /nfs/dbraw/zinc/29/20/31/202292031.db2.gz ZSQUFOWYPHCUNS-OAHLLOKOSA-N 2 1 309.417 2.803 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCCC3(C)C)C2)CC1 ZINC000595311501 398921168 /nfs/dbraw/zinc/92/11/68/398921168.db2.gz HFJUNPMMJFNNOT-ZWKOTPCHSA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000595338489 398924234 /nfs/dbraw/zinc/92/42/34/398924234.db2.gz MSSVEQSJGGAIBO-XUVXKRRUSA-N 2 1 313.489 2.643 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000189331132 200382932 /nfs/dbraw/zinc/38/29/32/200382932.db2.gz NYBMCKKIBGSOOA-OAHLLOKOSA-N 2 1 314.832 2.806 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@H]1c1cccs1 ZINC000417333004 296011125 /nfs/dbraw/zinc/01/11/25/296011125.db2.gz PCVNNGBKLPXJLK-OWCLPIDISA-N 2 1 321.534 2.856 20 0 DFADMP CN(C)C1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000417351453 296012858 /nfs/dbraw/zinc/01/28/58/296012858.db2.gz CPTZFKCDMIMEIG-IPMKNSEASA-N 2 1 313.489 2.581 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000417351453 296012859 /nfs/dbraw/zinc/01/28/59/296012859.db2.gz CPTZFKCDMIMEIG-IPMKNSEASA-N 2 1 313.489 2.581 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000417351453 296012860 /nfs/dbraw/zinc/01/28/60/296012860.db2.gz CPTZFKCDMIMEIG-IPMKNSEASA-N 2 1 313.489 2.581 20 0 DFADMP COC(=O)CCCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000599302766 398951503 /nfs/dbraw/zinc/95/15/03/398951503.db2.gz JUDMGLIEGNLWRN-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP COC(=O)CCCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000599302766 398951505 /nfs/dbraw/zinc/95/15/05/398951505.db2.gz JUDMGLIEGNLWRN-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP COC(=O)CCCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000599302766 398951508 /nfs/dbraw/zinc/95/15/08/398951508.db2.gz JUDMGLIEGNLWRN-SFHVURJKSA-N 2 1 318.461 2.784 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000599310002 398952486 /nfs/dbraw/zinc/95/24/86/398952486.db2.gz BVWFWLZARFKFSV-HOTGVXAUSA-N 2 1 323.506 2.732 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000595504657 398952595 /nfs/dbraw/zinc/95/25/95/398952595.db2.gz LNXDGQQWOQHQQS-GOSISDBHSA-N 2 1 310.482 2.774 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000595504657 398952598 /nfs/dbraw/zinc/95/25/98/398952598.db2.gz LNXDGQQWOQHQQS-GOSISDBHSA-N 2 1 310.482 2.774 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000595504657 398952601 /nfs/dbraw/zinc/95/26/01/398952601.db2.gz LNXDGQQWOQHQQS-GOSISDBHSA-N 2 1 310.482 2.774 20 0 DFADMP COC(=O)CCCC[NH+]1CCC(Oc2cc[nH+]cc2C)CC1 ZINC000599386379 398969671 /nfs/dbraw/zinc/96/96/71/398969671.db2.gz CCQAXRRNZLQJRQ-UHFFFAOYSA-N 2 1 306.406 2.577 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000193293823 201021458 /nfs/dbraw/zinc/02/14/58/201021458.db2.gz OOCUSJBWOAVIHJ-AWEZNQCLSA-N 2 1 323.868 2.502 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000193293823 201021461 /nfs/dbraw/zinc/02/14/61/201021461.db2.gz OOCUSJBWOAVIHJ-AWEZNQCLSA-N 2 1 323.868 2.502 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271875541 209287100 /nfs/dbraw/zinc/28/71/00/209287100.db2.gz TXDOYYLPLDVOLY-MRXNPFEDSA-N 2 1 300.450 2.737 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271875541 209287104 /nfs/dbraw/zinc/28/71/04/209287104.db2.gz TXDOYYLPLDVOLY-MRXNPFEDSA-N 2 1 300.450 2.737 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271875541 209287108 /nfs/dbraw/zinc/28/71/08/209287108.db2.gz TXDOYYLPLDVOLY-MRXNPFEDSA-N 2 1 300.450 2.737 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)ncn3C)C1 ZINC000271875541 209287111 /nfs/dbraw/zinc/28/71/11/209287111.db2.gz TXDOYYLPLDVOLY-MRXNPFEDSA-N 2 1 300.450 2.737 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)c(Cl)c3)C2)CC1 ZINC000193886933 201139146 /nfs/dbraw/zinc/13/91/46/201139146.db2.gz MFTHFVJVIDFQKS-QGZVFWFLSA-N 2 1 321.896 2.860 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000193886976 201139245 /nfs/dbraw/zinc/13/92/45/201139245.db2.gz RAGVKBWUAYLAAI-QUCCMNQESA-N 2 1 315.505 2.892 20 0 DFADMP Cn1c(C[NH2+]CC2=CC[N@@H+](C)CC2)nc2ccc(Cl)cc21 ZINC000271864622 209279032 /nfs/dbraw/zinc/27/90/32/209279032.db2.gz VUFDOAJCOWSJQR-UHFFFAOYSA-N 2 1 304.825 2.578 20 0 DFADMP O[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)C[NH+]1CCCCC1 ZINC000271861920 209277491 /nfs/dbraw/zinc/27/74/91/209277491.db2.gz OFHKJXRNHKCNDV-ROUUACIJSA-N 2 1 306.425 2.713 20 0 DFADMP COC(=O)Cc1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000600186658 398995382 /nfs/dbraw/zinc/99/53/82/398995382.db2.gz GMKHHKOTFRJNEM-UHFFFAOYSA-N 2 1 318.461 2.755 20 0 DFADMP Cc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1Cl ZINC000195442559 201390581 /nfs/dbraw/zinc/39/05/81/201390581.db2.gz NYPCRCGLTUPVAG-MRXNPFEDSA-N 2 1 310.869 2.975 20 0 DFADMP COc1cccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c1OC(F)F ZINC000271846960 209264019 /nfs/dbraw/zinc/26/40/19/209264019.db2.gz SBJVPGFCSIZDGL-UHFFFAOYSA-N 2 1 312.360 2.648 20 0 DFADMP CCC(CC)[C@H](C[NH2+][C@@H]1CC[C@@H](CC(=O)OC)[C@H]1C)[NH+](C)C ZINC000474470698 299337024 /nfs/dbraw/zinc/33/70/24/299337024.db2.gz FNZPAPFUZSLIHA-XBVQOTNRSA-N 2 1 312.498 2.920 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)[C@@H]1C ZINC000474887576 299339412 /nfs/dbraw/zinc/33/94/12/299339412.db2.gz QBZLKGWBBBWEHK-YYIAUSFCSA-N 2 1 310.482 2.674 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)[C@@H]1C ZINC000474887576 299339416 /nfs/dbraw/zinc/33/94/16/299339416.db2.gz QBZLKGWBBBWEHK-YYIAUSFCSA-N 2 1 310.482 2.674 20 0 DFADMP CCC[N@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)CC(C)C ZINC000475016773 299340903 /nfs/dbraw/zinc/34/09/03/299340903.db2.gz IDWLGHMXSQFLLW-GOSISDBHSA-N 2 1 319.493 2.774 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000475925074 299351126 /nfs/dbraw/zinc/35/11/26/299351126.db2.gz FHMYSUUZLQNAAP-JKSUJKDBSA-N 2 1 311.514 2.924 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591996 399024226 /nfs/dbraw/zinc/02/42/26/399024226.db2.gz XDZYCWNGISKWAN-GOEBONIOSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591996 399024233 /nfs/dbraw/zinc/02/42/33/399024233.db2.gz XDZYCWNGISKWAN-GOEBONIOSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@@H](C(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000599591996 399024239 /nfs/dbraw/zinc/02/42/39/399024239.db2.gz XDZYCWNGISKWAN-GOEBONIOSA-N 2 1 321.465 2.881 20 0 DFADMP COC(=O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000275341209 212281020 /nfs/dbraw/zinc/28/10/20/212281020.db2.gz XDNHLQGMBUHFHU-RDJZCZTQSA-N 2 1 316.445 2.582 20 0 DFADMP COC(=O)C1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000275341209 212281023 /nfs/dbraw/zinc/28/10/23/212281023.db2.gz XDNHLQGMBUHFHU-RDJZCZTQSA-N 2 1 316.445 2.582 20 0 DFADMP CCCc1ccc(C[NH+]2CCN(CC[NH+]3CCCC3)CC2)s1 ZINC000621709759 399036951 /nfs/dbraw/zinc/03/69/51/399036951.db2.gz CYXYFCZVAHQJES-UHFFFAOYSA-N 2 1 321.534 2.914 20 0 DFADMP COCCOCC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000079425091 399042179 /nfs/dbraw/zinc/04/21/79/399042179.db2.gz PABHFPYBKCIKBW-UHFFFAOYSA-N 2 1 312.498 2.624 20 0 DFADMP CCOc1cncc(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000621719279 399045710 /nfs/dbraw/zinc/04/57/10/399045710.db2.gz HPXVSYPPGBRDPP-QFBILLFUSA-N 2 1 315.461 2.929 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@H+](CC)CC2 ZINC000478633202 299368706 /nfs/dbraw/zinc/36/87/06/299368706.db2.gz QCLXCUYRCMVMGF-CYBMUJFWSA-N 2 1 324.494 2.626 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)Nc1nc2c(s1)C[N@@H+](CC)CC2 ZINC000478633202 299368709 /nfs/dbraw/zinc/36/87/09/299368709.db2.gz QCLXCUYRCMVMGF-CYBMUJFWSA-N 2 1 324.494 2.626 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+](C)C(C)C)c2ccccc21 ZINC000621750065 399065709 /nfs/dbraw/zinc/06/57/09/399065709.db2.gz HVUCTZCZVYMTGG-KRWDZBQOSA-N 2 1 303.450 2.804 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+](C)C(C)C)c2ccccc21 ZINC000621750065 399065716 /nfs/dbraw/zinc/06/57/16/399065716.db2.gz HVUCTZCZVYMTGG-KRWDZBQOSA-N 2 1 303.450 2.804 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(C)=O)c2ccccc21 ZINC000621749177 399064568 /nfs/dbraw/zinc/06/45/68/399064568.db2.gz UAVFSMUTPKPGCW-QGZVFWFLSA-N 2 1 303.450 2.806 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](CCc3ccccn3)C1)CCCC2 ZINC000275268746 212237355 /nfs/dbraw/zinc/23/73/55/212237355.db2.gz IXDFQZFUVTUAEU-KRWDZBQOSA-N 2 1 310.445 2.955 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](CCc3ccccn3)C1)CCCC2 ZINC000275268746 212237359 /nfs/dbraw/zinc/23/73/59/212237359.db2.gz IXDFQZFUVTUAEU-KRWDZBQOSA-N 2 1 310.445 2.955 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CC[C@@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000621763132 399071639 /nfs/dbraw/zinc/07/16/39/399071639.db2.gz RCPBCIRROHTVKG-FUHWJXTLSA-N 2 1 315.461 2.806 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCC1CC[NH+](CCC(C)C)CC1 ZINC000079655162 399072379 /nfs/dbraw/zinc/07/23/79/399072379.db2.gz OGDBPEIGFHYLKZ-GOSISDBHSA-N 2 1 323.525 2.735 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CC2(F)F)[C@H](C)C1 ZINC000621768373 399073683 /nfs/dbraw/zinc/07/36/83/399073683.db2.gz OBHKAPYVHCIIDN-KFWWJZLASA-N 2 1 304.425 2.758 20 0 DFADMP COc1nc(C)cc(C)c1C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000621778680 399075554 /nfs/dbraw/zinc/07/55/54/399075554.db2.gz TYBQTUZWOFIMNX-UHFFFAOYSA-N 2 1 305.466 2.919 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000092165291 193169342 /nfs/dbraw/zinc/16/93/42/193169342.db2.gz IVHVFKQJFWEZMU-UHFFFAOYSA-N 2 1 320.433 2.730 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)CC1 ZINC000092165291 193169344 /nfs/dbraw/zinc/16/93/44/193169344.db2.gz IVHVFKQJFWEZMU-UHFFFAOYSA-N 2 1 320.433 2.730 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(-n3cncn3)cc2)CC1 ZINC000092165820 193169407 /nfs/dbraw/zinc/16/94/07/193169407.db2.gz MTVHZQZDNWHEDP-UHFFFAOYSA-N 2 1 313.449 2.574 20 0 DFADMP CC(C)(C)c1ccc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)cc1 ZINC000479779504 299383944 /nfs/dbraw/zinc/38/39/44/299383944.db2.gz XKKUROMSPUDUOU-IYBDPMFKSA-N 2 1 302.462 2.904 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc([S@](C)=O)cc1 ZINC000353648230 299385919 /nfs/dbraw/zinc/38/59/19/299385919.db2.gz UMBFEPGPJGQDNA-NBQUVAEPSA-N 2 1 320.502 2.947 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000305770070 284051943 /nfs/dbraw/zinc/05/19/43/284051943.db2.gz NGYHKMHYYKQSLX-NXHRZFHOSA-N 2 1 304.478 2.719 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2)C1 ZINC000261778964 203114532 /nfs/dbraw/zinc/11/45/32/203114532.db2.gz WRLHUUGZARMRAK-ZBFHGGJFSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@H](CCNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000262282945 203250493 /nfs/dbraw/zinc/25/04/93/203250493.db2.gz LJGRVHGMECPJSP-NXHRZFHOSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H](C)C[NH3+])c1 ZINC000262378085 203278168 /nfs/dbraw/zinc/27/81/68/203278168.db2.gz MOQMKOFWKYIUJU-CYBMUJFWSA-N 2 1 300.406 2.588 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000093215238 193217530 /nfs/dbraw/zinc/21/75/30/193217530.db2.gz SXTSJGOTIODIBV-NWDGAFQWSA-N 2 1 301.203 2.948 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262684308 203380045 /nfs/dbraw/zinc/38/00/45/203380045.db2.gz ZXEHVJCNFPECNR-HZPDHXFCSA-N 2 1 317.477 2.533 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(C)(C)[NH3+])c1 ZINC000262654197 203367770 /nfs/dbraw/zinc/36/77/70/203367770.db2.gz SXHKERSGPVVOFO-UHFFFAOYSA-N 2 1 305.466 2.662 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000093639605 193279690 /nfs/dbraw/zinc/27/96/90/193279690.db2.gz SBLSNKRZWMVNRD-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000093639605 193279692 /nfs/dbraw/zinc/27/96/92/193279692.db2.gz SBLSNKRZWMVNRD-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(OCCOC)cc2)[C@H](C)C1 ZINC000093639605 193279694 /nfs/dbraw/zinc/27/96/94/193279694.db2.gz SBLSNKRZWMVNRD-VQIMIIECSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)[C@H](C)C1 ZINC000093638587 193278631 /nfs/dbraw/zinc/27/86/31/193278631.db2.gz LISZQOZXEPAPNJ-UKRRQHHQSA-N 2 1 320.433 2.586 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)[C@H](C)C1 ZINC000093638587 193278632 /nfs/dbraw/zinc/27/86/32/193278632.db2.gz LISZQOZXEPAPNJ-UKRRQHHQSA-N 2 1 320.433 2.586 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)[C@H](C)C1 ZINC000093638587 193278634 /nfs/dbraw/zinc/27/86/34/193278634.db2.gz LISZQOZXEPAPNJ-UKRRQHHQSA-N 2 1 320.433 2.586 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)[C@H](C)C1 ZINC000093638587 193278635 /nfs/dbraw/zinc/27/86/35/193278635.db2.gz LISZQOZXEPAPNJ-UKRRQHHQSA-N 2 1 320.433 2.586 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683924 193288700 /nfs/dbraw/zinc/28/87/00/193288700.db2.gz LPYWKVLKECMBGK-MRXNPFEDSA-N 2 1 318.509 2.853 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000093683924 193288702 /nfs/dbraw/zinc/28/87/02/193288702.db2.gz LPYWKVLKECMBGK-MRXNPFEDSA-N 2 1 318.509 2.853 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093770388 193303259 /nfs/dbraw/zinc/30/32/59/193303259.db2.gz FEEBJANYNZWGAX-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093770388 193303260 /nfs/dbraw/zinc/30/32/60/193303260.db2.gz FEEBJANYNZWGAX-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093770388 193303261 /nfs/dbraw/zinc/30/32/61/193303261.db2.gz FEEBJANYNZWGAX-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000093770388 193303263 /nfs/dbraw/zinc/30/32/63/193303263.db2.gz FEEBJANYNZWGAX-CQSZACIVSA-N 2 1 316.424 2.989 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683925 193288611 /nfs/dbraw/zinc/28/86/11/193288611.db2.gz LPYWKVLKECMBGK-INIZCTEOSA-N 2 1 318.509 2.853 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000093683925 193288613 /nfs/dbraw/zinc/28/86/13/193288613.db2.gz LPYWKVLKECMBGK-INIZCTEOSA-N 2 1 318.509 2.853 20 0 DFADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000595901248 399128122 /nfs/dbraw/zinc/12/81/22/399128122.db2.gz TWNLELBECAIHSD-INIZCTEOSA-N 2 1 316.445 2.685 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCC2)C[C@@H]1c1ccccc1 ZINC000340386190 284179672 /nfs/dbraw/zinc/17/96/72/284179672.db2.gz BSXIJBVNQFMROD-IPMKNSEASA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCC2)C[C@@H]1c1ccccc1 ZINC000340386190 284179674 /nfs/dbraw/zinc/17/96/74/284179674.db2.gz BSXIJBVNQFMROD-IPMKNSEASA-N 2 1 302.462 2.963 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCCC[NH2+]C1CCCCC1)c1ccccc1 ZINC000419918279 296151505 /nfs/dbraw/zinc/15/15/05/296151505.db2.gz JJQIAQRWQHURIK-SFHVURJKSA-N 2 1 317.477 2.718 20 0 DFADMP COC[C@]1(CNc2cc(C)[nH+]c3c(OC)cccc23)CCC[NH2+]1 ZINC000420241355 296164970 /nfs/dbraw/zinc/16/49/70/296164970.db2.gz AWUMJKSBHPMPMQ-GOSISDBHSA-N 2 1 315.417 2.732 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cc(OC)c(OC)c(OC)c2)CC1 ZINC000061016348 399147428 /nfs/dbraw/zinc/14/74/28/399147428.db2.gz SKRKSMSASQPRBO-UHFFFAOYSA-N 2 1 322.449 2.676 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[NH+](C)C2)cc1 ZINC000264687272 204078733 /nfs/dbraw/zinc/07/87/33/204078733.db2.gz QCZYSFCECIBVIT-KRWDZBQOSA-N 2 1 317.477 2.600 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@H+](C)C2)cc1 ZINC000264687272 204078735 /nfs/dbraw/zinc/07/87/35/204078735.db2.gz QCZYSFCECIBVIT-KRWDZBQOSA-N 2 1 317.477 2.600 20 0 DFADMP CCC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000264687272 204078739 /nfs/dbraw/zinc/07/87/39/204078739.db2.gz QCZYSFCECIBVIT-KRWDZBQOSA-N 2 1 317.477 2.600 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)COc2ccccc2C)CC1 ZINC000264642865 204049795 /nfs/dbraw/zinc/04/97/95/204049795.db2.gz VTJZTUZHQHWEOD-SFHVURJKSA-N 2 1 320.477 2.541 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420273957 296168167 /nfs/dbraw/zinc/16/81/67/296168167.db2.gz OAMVPPPMGHBECE-GOEBONIOSA-N 2 1 319.449 2.616 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000420273957 296168169 /nfs/dbraw/zinc/16/81/69/296168169.db2.gz OAMVPPPMGHBECE-GOEBONIOSA-N 2 1 319.449 2.616 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1cn2cc(Cl)ccc2n1 ZINC000264932610 204281119 /nfs/dbraw/zinc/28/11/19/204281119.db2.gz BHMXPOZKVKOSLA-UHFFFAOYSA-N 2 1 303.797 2.673 20 0 DFADMP OCCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420294604 296170438 /nfs/dbraw/zinc/17/04/38/296170438.db2.gz BJJDXYXAGXZOHT-VQIMIIECSA-N 2 1 302.462 2.748 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H](COC)Cc1ccccc1 ZINC000420295219 296170576 /nfs/dbraw/zinc/17/05/76/296170576.db2.gz BXVFPVRQOIKKHT-RBUKOAKNSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420295342 296170685 /nfs/dbraw/zinc/17/06/85/296170685.db2.gz AAEOFYGCVIXAAO-CQSZACIVSA-N 2 1 307.869 2.771 20 0 DFADMP COc1cc(C[N@@H+](C)CC[C@@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000420297121 296170908 /nfs/dbraw/zinc/17/09/08/296170908.db2.gz FNCHXZDYAQZZJD-ZDUSSCGKSA-N 2 1 324.490 2.857 20 0 DFADMP CC[C@H](c1ccccc1)[C@H]1CCC[N@H+]1CCN1CC[NH2+]CC1 ZINC000420297151 296170965 /nfs/dbraw/zinc/17/09/65/296170965.db2.gz FOSMVSBBYXMNCG-RTBURBONSA-N 2 1 301.478 2.550 20 0 DFADMP CC[C@@H](C)[C@H](C)[N@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420297092 296170994 /nfs/dbraw/zinc/17/09/94/296170994.db2.gz FJHDOEWYHSRVQM-PDWMJMLSSA-N 2 1 304.478 2.816 20 0 DFADMP CC[C@@H](C)[C@H](C)[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)C1CC1 ZINC000420297092 296170995 /nfs/dbraw/zinc/17/09/95/296170995.db2.gz FJHDOEWYHSRVQM-PDWMJMLSSA-N 2 1 304.478 2.816 20 0 DFADMP COc1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@@H]1CCCO1 ZINC000420297430 296171059 /nfs/dbraw/zinc/17/10/59/296171059.db2.gz DITSJFGLNVVWOF-WMZOPIPTSA-N 2 1 318.461 2.676 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCN(c2ccccc2)C1=O ZINC000420301112 296171700 /nfs/dbraw/zinc/17/17/00/296171700.db2.gz LAWNFWLSFRTKOQ-WMZOPIPTSA-N 2 1 315.461 2.504 20 0 DFADMP CCC[C@@H](C[NH+]1CCC([N@@H+](C)CCO)CC1)c1ccccc1 ZINC000271739366 209171501 /nfs/dbraw/zinc/17/15/01/209171501.db2.gz QCRSFYIYTHRIJP-SFHVURJKSA-N 2 1 304.478 2.959 20 0 DFADMP COC(=O)CCC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420304599 296172318 /nfs/dbraw/zinc/17/23/18/296172318.db2.gz FDFLAYBHKWDVBG-ROUUACIJSA-N 2 1 318.461 2.612 20 0 DFADMP Cc1ccc([C@H]2[C@H](C)CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420306629 296172561 /nfs/dbraw/zinc/17/25/61/296172561.db2.gz QPKKMHCYSQXGLY-IEBWSBKVSA-N 2 1 301.478 2.673 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000420317860 296173971 /nfs/dbraw/zinc/17/39/71/296173971.db2.gz NHCJCKZSALFSIZ-HUUCEWRRSA-N 2 1 321.431 2.582 20 0 DFADMP c1ccc(CCCO[C@H]2CC[N@@H+](CC[C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420309030 296172995 /nfs/dbraw/zinc/17/29/95/296172995.db2.gz STXNYZSYOOHPIM-OALUTQOASA-N 2 1 302.462 2.710 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420318118 296174498 /nfs/dbraw/zinc/17/44/98/296174498.db2.gz PLCWPZKUVNGYAW-GOSISDBHSA-N 2 1 316.401 2.780 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000420318118 296174499 /nfs/dbraw/zinc/17/44/99/296174499.db2.gz PLCWPZKUVNGYAW-GOSISDBHSA-N 2 1 316.401 2.780 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000420317494 296174237 /nfs/dbraw/zinc/17/42/37/296174237.db2.gz UOXJWICVVTUSKE-JKSUJKDBSA-N 2 1 303.450 2.691 20 0 DFADMP C[N@@H+](CCN1CC[NH2+]CC1)Cc1ccccc1-c1ccccc1 ZINC000420327803 296175972 /nfs/dbraw/zinc/17/59/72/296175972.db2.gz YVJPALIXGNPNEJ-UHFFFAOYSA-N 2 1 309.457 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1C ZINC000420339548 296177502 /nfs/dbraw/zinc/17/75/02/296177502.db2.gz LZTGAHCPSZEALV-IAGOWNOFSA-N 2 1 315.461 2.563 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420345050 296178134 /nfs/dbraw/zinc/17/81/34/296178134.db2.gz UZDOYQANIKFKPP-ZACQAIPSSA-N 2 1 315.461 2.562 20 0 DFADMP Fc1cc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1Cl ZINC000420347382 296178318 /nfs/dbraw/zinc/17/83/18/296178318.db2.gz YKEKMRDTWUQVLC-BETUJISGSA-N 2 1 312.816 2.789 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)CCC2 ZINC000282490857 217036522 /nfs/dbraw/zinc/03/65/22/217036522.db2.gz XMCUYINEXYWCBW-MRXNPFEDSA-N 2 1 315.505 2.852 20 0 DFADMP C[N@@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C[C@H](O)C[NH3+] ZINC000420350520 296178566 /nfs/dbraw/zinc/17/85/66/296178566.db2.gz HEUFWZIEKOQUKP-CYBMUJFWSA-N 2 1 322.355 2.509 20 0 DFADMP C[N@H+](Cc1ccc(Oc2ccccc2F)c(F)c1)C[C@H](O)C[NH3+] ZINC000420350520 296178567 /nfs/dbraw/zinc/17/85/67/296178567.db2.gz HEUFWZIEKOQUKP-CYBMUJFWSA-N 2 1 322.355 2.509 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C[C@@H](C)c2nccs2)cc1 ZINC000420354742 296179254 /nfs/dbraw/zinc/17/92/54/296179254.db2.gz DFDRADMGTYDFBB-HIFRSBDPSA-N 2 1 319.474 2.930 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092556 399170508 /nfs/dbraw/zinc/17/05/08/399170508.db2.gz BLSNMTWCNAGAFK-IAGOWNOFSA-N 2 1 322.493 2.820 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1)C1(C(=O)OC)CCC1 ZINC000596092557 399171175 /nfs/dbraw/zinc/17/11/75/399171175.db2.gz BLSNMTWCNAGAFK-IRXDYDNUSA-N 2 1 322.493 2.820 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1[NH2+]CCC(=O)Nc1ccccc1Cl ZINC000420365745 296180714 /nfs/dbraw/zinc/18/07/14/296180714.db2.gz LLOGIYJKFXZZIW-BFQNTYOBSA-N 2 1 309.841 2.645 20 0 DFADMP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000596096639 399171950 /nfs/dbraw/zinc/17/19/50/399171950.db2.gz WCCFJGSUEMBKOG-HOCLYGCPSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])Oc1ccc(Cl)c(Cl)c1 ZINC000420368448 296181428 /nfs/dbraw/zinc/18/14/28/296181428.db2.gz WXKIAIOCPGARRJ-NSHDSACASA-N 2 1 321.248 2.668 20 0 DFADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3cccc(C(F)F)c3)C2)nn1 ZINC000420373756 296182224 /nfs/dbraw/zinc/18/22/24/296182224.db2.gz GOTLNRGQXHQCCC-OAHLLOKOSA-N 2 1 321.375 2.512 20 0 DFADMP c1nc([C@@H]2CCC[N@H+](CCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000420374991 296182252 /nfs/dbraw/zinc/18/22/52/296182252.db2.gz OMKVQSPJJKVKAM-QGZVFWFLSA-N 2 1 316.493 2.789 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC)c2C)C1 ZINC000342051883 284316949 /nfs/dbraw/zinc/31/69/49/284316949.db2.gz BCGIMXLUTULKFW-HNNXBMFYSA-N 2 1 306.450 2.834 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420387782 296184569 /nfs/dbraw/zinc/18/45/69/296184569.db2.gz GOBPZPHVHVQECI-HOTGVXAUSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)c(C)c1OC ZINC000342089073 284323758 /nfs/dbraw/zinc/32/37/58/284323758.db2.gz SCAOHCDTLWETTN-JKSUJKDBSA-N 2 1 304.434 2.729 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)c(C)c1OC ZINC000342089073 284323761 /nfs/dbraw/zinc/32/37/61/284323761.db2.gz SCAOHCDTLWETTN-JKSUJKDBSA-N 2 1 304.434 2.729 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C[C@H]1C[NH3+] ZINC000420395231 296185756 /nfs/dbraw/zinc/18/57/56/296185756.db2.gz DEUWYVKTZMLAOZ-CHWSQXEVSA-N 2 1 309.841 2.585 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)s1 ZINC000420399698 296186221 /nfs/dbraw/zinc/18/62/21/296186221.db2.gz ODGRPUJTTIJQTP-ZFWWWQNUSA-N 2 1 322.474 2.807 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c(C)s1 ZINC000420399698 296186223 /nfs/dbraw/zinc/18/62/23/296186223.db2.gz ODGRPUJTTIJQTP-ZFWWWQNUSA-N 2 1 322.474 2.807 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000282765147 217234754 /nfs/dbraw/zinc/23/47/54/217234754.db2.gz ZWEAGBKJFCHGRJ-GSEOLPGOSA-N 2 1 324.472 2.772 20 0 DFADMP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764861 217234777 /nfs/dbraw/zinc/23/47/77/217234777.db2.gz ITKJHGSEYVIIPZ-INIZCTEOSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764861 217234779 /nfs/dbraw/zinc/23/47/79/217234779.db2.gz ITKJHGSEYVIIPZ-INIZCTEOSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c(-c2cnn(C)c2)c1 ZINC000282764861 217234782 /nfs/dbraw/zinc/23/47/82/217234782.db2.gz ITKJHGSEYVIIPZ-INIZCTEOSA-N 2 1 312.461 2.779 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000282765149 217235155 /nfs/dbraw/zinc/23/51/55/217235155.db2.gz ZWEAGBKJFCHGRJ-RSPOEFSDSA-N 2 1 324.472 2.772 20 0 DFADMP CC(C)C[N@@H+]1CC[C@@H](CNc2cc[nH+]cc2Br)C1 ZINC000342543509 284365620 /nfs/dbraw/zinc/36/56/20/284365620.db2.gz PGQJVWVPXCUNID-LBPRGKRZSA-N 2 1 312.255 2.656 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2Br)C1 ZINC000342543509 284365621 /nfs/dbraw/zinc/36/56/21/284365621.db2.gz PGQJVWVPXCUNID-LBPRGKRZSA-N 2 1 312.255 2.656 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCn1cccn1 ZINC000081013318 399202860 /nfs/dbraw/zinc/20/28/60/399202860.db2.gz YOIQEIBEUQBFBW-HKUYNNGSSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCn1cccn1 ZINC000081013318 399202862 /nfs/dbraw/zinc/20/28/62/399202862.db2.gz YOIQEIBEUQBFBW-HKUYNNGSSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCn1cccn1 ZINC000081013318 399202866 /nfs/dbraw/zinc/20/28/66/399202866.db2.gz YOIQEIBEUQBFBW-HKUYNNGSSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCn1cccn1 ZINC000081013318 399202868 /nfs/dbraw/zinc/20/28/68/399202868.db2.gz YOIQEIBEUQBFBW-HKUYNNGSSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000420916696 296211750 /nfs/dbraw/zinc/21/17/50/296211750.db2.gz PAZHAAVVRNVFSQ-OWYHZJEWSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000420916696 296211752 /nfs/dbraw/zinc/21/17/52/296211752.db2.gz PAZHAAVVRNVFSQ-OWYHZJEWSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000420916696 296211753 /nfs/dbraw/zinc/21/17/53/296211753.db2.gz PAZHAAVVRNVFSQ-OWYHZJEWSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000420916696 296211755 /nfs/dbraw/zinc/21/17/55/296211755.db2.gz PAZHAAVVRNVFSQ-OWYHZJEWSA-N 2 1 302.462 2.742 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926033 296213215 /nfs/dbraw/zinc/21/32/15/296213215.db2.gz MPKRBFASANRBHT-RBUKOAKNSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926033 296213216 /nfs/dbraw/zinc/21/32/16/296213216.db2.gz MPKRBFASANRBHT-RBUKOAKNSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926033 296213217 /nfs/dbraw/zinc/21/32/17/296213217.db2.gz MPKRBFASANRBHT-RBUKOAKNSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1)C1CC1 ZINC000420926033 296213218 /nfs/dbraw/zinc/21/32/18/296213218.db2.gz MPKRBFASANRBHT-RBUKOAKNSA-N 2 1 320.452 2.678 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000420936416 296214713 /nfs/dbraw/zinc/21/47/13/296214713.db2.gz MXQPIFBDPZZUJW-OALUTQOASA-N 2 1 300.446 2.751 20 0 DFADMP O[C@H]1C[C@@H](C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)C1 ZINC000420945213 296216074 /nfs/dbraw/zinc/21/60/74/296216074.db2.gz YQKNZYMJJLGZTK-HAGHYFMRSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)C1 ZINC000420945213 296216075 /nfs/dbraw/zinc/21/60/75/296216075.db2.gz YQKNZYMJJLGZTK-HAGHYFMRSA-N 2 1 314.473 2.744 20 0 DFADMP O[C@H]1C[C@@H](C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3Cc3ccccc3)C2)C1 ZINC000420945213 296216077 /nfs/dbraw/zinc/21/60/77/296216077.db2.gz YQKNZYMJJLGZTK-HAGHYFMRSA-N 2 1 314.473 2.744 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618997869 399274608 /nfs/dbraw/zinc/27/46/08/399274608.db2.gz ZGKGPARAPTUKKQ-JKSUJKDBSA-N 2 1 320.481 2.633 20 0 DFADMP CCC(C)(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000608584192 399277029 /nfs/dbraw/zinc/27/70/29/399277029.db2.gz KTIRPAKXQGJEST-UHFFFAOYSA-N 2 1 304.438 2.598 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327696 399278408 /nfs/dbraw/zinc/27/84/08/399278408.db2.gz ZEFKICCBORPBGN-CHWSQXEVSA-N 2 1 316.401 2.636 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000601327696 399278409 /nfs/dbraw/zinc/27/84/09/399278409.db2.gz ZEFKICCBORPBGN-CHWSQXEVSA-N 2 1 316.401 2.636 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@@H]2CC23CCSCC3)s1 ZINC000421390791 296252001 /nfs/dbraw/zinc/25/20/01/296252001.db2.gz VEWHYCFACFSROR-LBPRGKRZSA-N 2 1 311.520 2.828 20 0 DFADMP Cc1cc(C)cc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)c1 ZINC000619177524 399307766 /nfs/dbraw/zinc/30/77/66/399307766.db2.gz UNAABJYBQZPDDG-UHFFFAOYSA-N 2 1 324.428 2.703 20 0 DFADMP Cn1cc(C[NH2+]CCc2c[nH+]cn2C)c(C2CCCCC2)n1 ZINC000623086423 399324124 /nfs/dbraw/zinc/32/41/24/399324124.db2.gz QCDSATDTGUTIDQ-UHFFFAOYSA-N 2 1 301.438 2.534 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Sc2ccccn2)o1 ZINC000623086005 399324197 /nfs/dbraw/zinc/32/41/97/399324197.db2.gz RXRYVTKOQOEUMM-UHFFFAOYSA-N 2 1 314.414 2.892 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC000623341686 399366592 /nfs/dbraw/zinc/36/65/92/399366592.db2.gz NPZMJUWJJZOYPJ-AWEZNQCLSA-N 2 1 322.449 2.675 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC000623341686 399366596 /nfs/dbraw/zinc/36/65/96/399366596.db2.gz NPZMJUWJJZOYPJ-AWEZNQCLSA-N 2 1 322.449 2.675 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623356782 399371343 /nfs/dbraw/zinc/37/13/43/399371343.db2.gz HAYNIDUGJZIDDL-INIZCTEOSA-N 2 1 306.450 2.674 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623356782 399371348 /nfs/dbraw/zinc/37/13/48/399371348.db2.gz HAYNIDUGJZIDDL-INIZCTEOSA-N 2 1 306.450 2.674 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@](C)(O)c2ccccc2)CC1 ZINC000105876777 194154558 /nfs/dbraw/zinc/15/45/58/194154558.db2.gz KPGDCLXVLZHDFD-IBGZPJMESA-N 2 1 313.445 2.582 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000105897320 194161562 /nfs/dbraw/zinc/16/15/62/194161562.db2.gz SMCXKMIFVAWQPR-GJZGRUSLSA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H](C)C(=O)NC(C)(C)CC)C1 ZINC000105897320 194161565 /nfs/dbraw/zinc/16/15/65/194161565.db2.gz SMCXKMIFVAWQPR-GJZGRUSLSA-N 2 1 320.481 2.776 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623363292 399373141 /nfs/dbraw/zinc/37/31/41/399373141.db2.gz LNULJOLAZOGVCA-QGZVFWFLSA-N 2 1 323.525 2.876 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCOc2cccc(F)c2)CC1 ZINC000106163720 194189150 /nfs/dbraw/zinc/18/91/50/194189150.db2.gz UNMJLZKVGGQDBC-UHFFFAOYSA-N 2 1 317.408 2.893 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401343 399380504 /nfs/dbraw/zinc/38/05/04/399380504.db2.gz XQRZCZWOWHMZRW-HNNXBMFYSA-N 2 1 306.450 2.927 20 0 DFADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623426326 399386798 /nfs/dbraw/zinc/38/67/98/399386798.db2.gz JICPKRMSMYZDKV-HNNXBMFYSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC1CC1 ZINC000623430140 399388103 /nfs/dbraw/zinc/38/81/03/399388103.db2.gz CMRVDANGWPIBFH-ZFWWWQNUSA-N 2 1 304.434 2.809 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC1CC1 ZINC000623430140 399388101 /nfs/dbraw/zinc/38/81/01/399388101.db2.gz CMRVDANGWPIBFH-ZFWWWQNUSA-N 2 1 304.434 2.809 20 0 DFADMP COC(=O)c1ccc(CN2CCC[C@@H](n3ccnc3)C2)cc1F ZINC000610681551 399393053 /nfs/dbraw/zinc/39/30/53/399393053.db2.gz XNEBFFUSEGTMIB-CQSZACIVSA-N 2 1 317.364 2.646 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc([S@](C)=O)cc1 ZINC000268843194 207007589 /nfs/dbraw/zinc/00/75/89/207007589.db2.gz IJSRVEJAKMDRSK-ZSEKCTLFSA-N 2 1 305.447 2.670 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1C[NH3+] ZINC000422562481 296313016 /nfs/dbraw/zinc/31/30/16/296313016.db2.gz QLAICCJLMLRNBH-HZSPNIEDSA-N 2 1 304.463 2.739 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](Cc2cccc3c2OCCCO3)C[C@@H]1C[NH3+] ZINC000422561479 296312632 /nfs/dbraw/zinc/31/26/32/296312632.db2.gz LKCTUYKAZJUYGN-FMKPAKJESA-N 2 1 304.434 2.653 20 0 DFADMP Cc1ccc(C[NH+]2CCC3(CC[NH2+]3)CC2)c(-c2ccnn2C)c1 ZINC000422560867 296312750 /nfs/dbraw/zinc/31/27/50/296312750.db2.gz ICWOHSVEBYMEEY-UHFFFAOYSA-N 2 1 310.445 2.723 20 0 DFADMP COc1ccc([C@H](CCO)[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623476854 399397439 /nfs/dbraw/zinc/39/74/39/399397439.db2.gz RHXNACRXLSQCCZ-WBVHZDCISA-N 2 1 306.450 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000268887909 207057293 /nfs/dbraw/zinc/05/72/93/207057293.db2.gz XOEAYZZJSPTGQH-GPMSIDNRSA-N 2 1 312.461 2.733 20 0 DFADMP Cc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ncc1Br ZINC000623484977 399399548 /nfs/dbraw/zinc/39/95/48/399399548.db2.gz JEAWVSRGNLCRJP-UHFFFAOYSA-N 2 1 310.239 2.504 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422640028 296317318 /nfs/dbraw/zinc/31/73/18/296317318.db2.gz UNYNRRNFOUTDJM-IPYPFGDCSA-N 2 1 321.440 2.768 20 0 DFADMP C[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422703002 296318453 /nfs/dbraw/zinc/31/84/53/296318453.db2.gz MBKUKWORVDMOFE-APWZRJJASA-N 2 1 315.505 2.944 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000422698555 296318073 /nfs/dbraw/zinc/31/80/73/296318073.db2.gz ZXDYMSZFLHWJNH-NUJGCVRESA-N 2 1 315.461 2.692 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@@H+](C)C1CCCCC1 ZINC000422700392 296318575 /nfs/dbraw/zinc/31/85/75/296318575.db2.gz GVROYHZSDNMBTL-VQIMIIECSA-N 2 1 303.494 2.799 20 0 DFADMP CC[C@@H](C(=O)NCC1([NH3+])CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000422703280 296318667 /nfs/dbraw/zinc/31/86/67/296318667.db2.gz HKZAMAKLWIBIEK-KRWDZBQOSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H](CN[C@H](C)[C@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422708634 296319519 /nfs/dbraw/zinc/31/95/19/296319519.db2.gz CCMGJKVZFVYIRI-GPMSIDNRSA-N 2 1 301.478 2.553 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc2c(c1)COC2 ZINC000268934979 207099340 /nfs/dbraw/zinc/09/93/40/207099340.db2.gz RLLNALSZONDICC-KXBFYZLASA-N 2 1 318.461 2.604 20 0 DFADMP Cc1ccn2cc(C[NH2+][C@H](C)c3ccc(C[NH3+])nc3C)nc2c1 ZINC000422712741 296320148 /nfs/dbraw/zinc/32/01/48/296320148.db2.gz IUFWBKMIRJESAM-CYBMUJFWSA-N 2 1 309.417 2.656 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422715275 296320420 /nfs/dbraw/zinc/32/04/20/296320420.db2.gz RXSLKUXNCBCJIY-MNEFBYGVSA-N 2 1 317.477 2.784 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422718530 296320937 /nfs/dbraw/zinc/32/09/37/296320937.db2.gz PWAXDVLAWVLGKX-DFQSSKMNSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@@H]([NH2+]CCCN(C)c1ccccc1F)c1c[nH+]ccc1N ZINC000422719416 296321035 /nfs/dbraw/zinc/32/10/35/296321035.db2.gz RCPLXQAALROQFD-CYBMUJFWSA-N 2 1 302.397 2.810 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2cccc(OC)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422715274 296320659 /nfs/dbraw/zinc/32/06/59/296320659.db2.gz RXSLKUXNCBCJIY-AYOQOUSVSA-N 2 1 317.477 2.784 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1(C)C ZINC000623540392 399411556 /nfs/dbraw/zinc/41/15/56/399411556.db2.gz XREMSELVWJTDFR-IXDOHACOSA-N 2 1 303.450 2.764 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)CC1(C)C ZINC000623540005 399411637 /nfs/dbraw/zinc/41/16/37/399411637.db2.gz GWLCTPMFIWXKEG-IKGGRYGDSA-N 2 1 303.450 2.764 20 0 DFADMP CC[C@H]([NH2+]C1CCN(Cc2ccc(F)cc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000422724322 296321729 /nfs/dbraw/zinc/32/17/29/296321729.db2.gz VIHOXBZMMABANP-OALUTQOASA-N 2 1 319.468 2.910 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422734370 296323426 /nfs/dbraw/zinc/32/34/26/296323426.db2.gz CQNYNUHPGGPHCA-BHIYHBOVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[NH+](C)C2)C[N@H+]1Cc1ccccc1 ZINC000623656058 399436728 /nfs/dbraw/zinc/43/67/28/399436728.db2.gz MABHPTUPLOMNQI-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000623656058 399436733 /nfs/dbraw/zinc/43/67/33/399436733.db2.gz MABHPTUPLOMNQI-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCCC[N@@H+](C)C2)C[NH+]1Cc1ccccc1 ZINC000623656058 399436735 /nfs/dbraw/zinc/43/67/35/399436735.db2.gz MABHPTUPLOMNQI-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@H+](C)C2)CN1Cc1ccccc1 ZINC000623656058 399436739 /nfs/dbraw/zinc/43/67/39/399436739.db2.gz MABHPTUPLOMNQI-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCC[N@@H+](C)C2)CN1Cc1ccccc1 ZINC000623656058 399436744 /nfs/dbraw/zinc/43/67/44/399436744.db2.gz MABHPTUPLOMNQI-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1 ZINC000623656809 399436815 /nfs/dbraw/zinc/43/68/15/399436815.db2.gz CGCQNHDIFSNSQV-SJLPKXTDSA-N 2 1 320.477 2.922 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000623656983 399437473 /nfs/dbraw/zinc/43/74/73/399437473.db2.gz HESWMSADCCYGCQ-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000623656983 399437474 /nfs/dbraw/zinc/43/74/74/399437474.db2.gz HESWMSADCCYGCQ-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]CCCC[N@H+]2CCCC[C@H]2C)cc1C ZINC000602513762 399465875 /nfs/dbraw/zinc/46/58/75/399465875.db2.gz CPLLFUAPDISHEQ-OAHLLOKOSA-N 2 1 321.465 2.854 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000623786327 399466372 /nfs/dbraw/zinc/46/63/72/399466372.db2.gz IGYKJEJUIXMDDT-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000623786327 399466374 /nfs/dbraw/zinc/46/63/74/399466374.db2.gz IGYKJEJUIXMDDT-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000623786327 399466377 /nfs/dbraw/zinc/46/63/77/399466377.db2.gz IGYKJEJUIXMDDT-UHOSZYNNSA-N 2 1 301.478 2.723 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422735330 296323649 /nfs/dbraw/zinc/32/36/49/296323649.db2.gz VZCJEZSZMRZQDM-JYJNAYRXSA-N 2 1 307.507 2.992 20 0 DFADMP COc1cccc(C[NH2+][C@H](C)C2C[NH2+]C2)c1OC1CCCC1 ZINC000422735992 296323849 /nfs/dbraw/zinc/32/38/49/296323849.db2.gz VLCUTVNJYYJONK-CYBMUJFWSA-N 2 1 304.434 2.714 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCCC1 ZINC000422737262 296324213 /nfs/dbraw/zinc/32/42/13/296324213.db2.gz ZKLJERWRYCLRSO-NZSAHSFTSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@@H](C)[C@H]2CCCC[NH2+]2)C1 ZINC000422740771 296324345 /nfs/dbraw/zinc/32/43/45/296324345.db2.gz NEAVPSSHOBPAGI-QFHJOOASSA-N 2 1 301.478 2.942 20 0 DFADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@@H]2CCC[NH2+]CC2)CC1 ZINC000422747201 296325840 /nfs/dbraw/zinc/32/58/40/296325840.db2.gz PLYHFWKKZWPQFY-SJLPKXTDSA-N 2 1 301.478 2.944 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCC[N@@H+](C)Cc1ccccc1 ZINC000422759291 296328045 /nfs/dbraw/zinc/32/80/45/296328045.db2.gz LBDCOSFQLFFQBU-PXNSSMCTSA-N 2 1 311.473 2.667 20 0 DFADMP Cc1cc(C)n(CCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000422758970 296328064 /nfs/dbraw/zinc/32/80/64/296328064.db2.gz OMTWNZBAGYOPHO-OALUTQOASA-N 2 1 312.461 2.973 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422763602 296328922 /nfs/dbraw/zinc/32/89/22/296328922.db2.gz OXGSGQQCDFGPEZ-JBACZVJFSA-N 2 1 324.468 2.921 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCCCO1 ZINC000623855664 399480885 /nfs/dbraw/zinc/48/08/85/399480885.db2.gz FBNVOOGGCNQAAN-VQIMIIECSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCCO1 ZINC000623855664 399480887 /nfs/dbraw/zinc/48/08/87/399480887.db2.gz FBNVOOGGCNQAAN-VQIMIIECSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ccccc1F ZINC000422766444 296329621 /nfs/dbraw/zinc/32/96/21/296329621.db2.gz XIOKSZKVHHCOOV-RHSMWYFYSA-N 2 1 302.393 2.753 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCCN(c2cccc(OC)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000422766082 296329784 /nfs/dbraw/zinc/32/97/84/296329784.db2.gz RLJQMOBAPVHKGW-MNEFBYGVSA-N 2 1 317.477 2.784 20 0 DFADMP COc1ccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]2CCCCC2)cc1 ZINC000422769175 296330051 /nfs/dbraw/zinc/33/00/51/296330051.db2.gz UTEZNCGNAQIHTL-BXWFABGCSA-N 2 1 319.493 2.938 20 0 DFADMP CC[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCC[NH2+]1 ZINC000422786296 296332604 /nfs/dbraw/zinc/33/26/04/296332604.db2.gz KSTJPUMEBDKCHC-MSOLQXFVSA-N 2 1 316.424 2.674 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H](C)c1c[nH+]ccc1N ZINC000422785795 296332651 /nfs/dbraw/zinc/33/26/51/296332651.db2.gz KAYHZWRLBKNWRZ-OLZOCXBDSA-N 2 1 301.390 2.621 20 0 DFADMP CC1(C)[C@H]([NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)[C@@H]2CCO[C@H]21 ZINC000422787595 296332885 /nfs/dbraw/zinc/33/28/85/296332885.db2.gz RSSCIDNEOBOYQP-DISONHOPSA-N 2 1 300.446 2.883 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3scnc32)C[C@H](C)O1 ZINC000623916579 399494232 /nfs/dbraw/zinc/49/42/32/399494232.db2.gz SXFDIIXJUSGLLR-QLFBSQMISA-N 2 1 323.506 3.000 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H](C)C[C@@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793500 296334021 /nfs/dbraw/zinc/33/40/21/296334021.db2.gz FPROJBNYBBIKQR-RVKKMQEKSA-N 2 1 307.482 2.794 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422796294 296334436 /nfs/dbraw/zinc/33/44/36/296334436.db2.gz IXGZIYLOQREHOL-VDGAXYAQSA-N 2 1 315.505 2.799 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422796156 296334577 /nfs/dbraw/zinc/33/45/77/296334577.db2.gz IXGZIYLOQREHOL-PWIZWCRZSA-N 2 1 315.505 2.799 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1cccc(OC)c1 ZINC000422797438 296334904 /nfs/dbraw/zinc/33/49/04/296334904.db2.gz MNDCWTLCRJXIHQ-VDZJLULYSA-N 2 1 319.493 2.666 20 0 DFADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422798944 296335310 /nfs/dbraw/zinc/33/53/10/296335310.db2.gz UIXDGXVCTWYQLP-ZSYWTGECSA-N 2 1 305.510 2.761 20 0 DFADMP CC[C@@H](CN[C@H](C)[C@@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422801469 296335405 /nfs/dbraw/zinc/33/54/05/296335405.db2.gz BZKJSABIYSSHRS-MNEFBYGVSA-N 2 1 301.478 2.553 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422805785 296336358 /nfs/dbraw/zinc/33/63/58/296336358.db2.gz JOABGHQIIZPPIG-MJGOQNOKSA-N 2 1 301.478 2.542 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422805785 296336360 /nfs/dbraw/zinc/33/63/60/296336360.db2.gz JOABGHQIIZPPIG-MJGOQNOKSA-N 2 1 301.478 2.542 20 0 DFADMP C[N@H+]1CCC[C@H](CNc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623955856 399503707 /nfs/dbraw/zinc/50/37/07/399503707.db2.gz MJXVBLLXCGSIGW-OAHLLOKOSA-N 2 1 323.444 2.751 20 0 DFADMP C[N@H+]1CCC[C@H](CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000623955856 399503713 /nfs/dbraw/zinc/50/37/13/399503713.db2.gz MJXVBLLXCGSIGW-OAHLLOKOSA-N 2 1 323.444 2.751 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422809293 296336921 /nfs/dbraw/zinc/33/69/21/296336921.db2.gz LXCCHZFKCUVNHN-ZACQAIPSSA-N 3 1 319.493 2.513 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422809293 296336922 /nfs/dbraw/zinc/33/69/22/296336922.db2.gz LXCCHZFKCUVNHN-ZACQAIPSSA-N 2 1 319.493 2.513 20 0 DFADMP COc1ccc(OC)c(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c1 ZINC000422809074 296337034 /nfs/dbraw/zinc/33/70/34/296337034.db2.gz RFPPJAVJRQWFCJ-IXDOHACOSA-N 2 1 304.434 2.714 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)c1 ZINC000422811096 296337186 /nfs/dbraw/zinc/33/71/86/296337186.db2.gz TZLNCYDFXTYYJU-IPMKNSEASA-N 2 1 301.478 2.759 20 0 DFADMP CC[C@H](NCC[N@H+]1CCc2ccccc2C1)[C@H]1CCCC[NH2+]1 ZINC000422812649 296337748 /nfs/dbraw/zinc/33/77/48/296337748.db2.gz YCLYXYHYFHNDPD-RBUKOAKNSA-N 2 1 301.478 2.555 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842247 399505874 /nfs/dbraw/zinc/50/58/74/399505874.db2.gz XNUGYILXJQOAMK-IHRRRGAJSA-N 2 1 300.406 2.633 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)n1 ZINC000631842247 399505880 /nfs/dbraw/zinc/50/58/80/399505880.db2.gz XNUGYILXJQOAMK-IHRRRGAJSA-N 2 1 300.406 2.633 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814513 296338048 /nfs/dbraw/zinc/33/80/48/296338048.db2.gz VFZBGHGTTVAEEM-VVLHAWIVSA-N 3 1 319.493 2.511 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1ccc(CN2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000422814513 296338049 /nfs/dbraw/zinc/33/80/49/296338049.db2.gz VFZBGHGTTVAEEM-VVLHAWIVSA-N 2 1 319.493 2.511 20 0 DFADMP CC[C@@H](C(=O)NC(CC)(CC)C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422815799 296338199 /nfs/dbraw/zinc/33/81/99/296338199.db2.gz CLRAWPIFFOAUDI-INIZCTEOSA-N 2 1 305.466 2.531 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841405 399506798 /nfs/dbraw/zinc/50/67/98/399506798.db2.gz KHBNXCFCFYDECO-ILXRZTDVSA-N 2 1 303.450 2.664 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841405 399506803 /nfs/dbraw/zinc/50/68/03/399506803.db2.gz KHBNXCFCFYDECO-ILXRZTDVSA-N 2 1 303.450 2.664 20 0 DFADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846252 399507635 /nfs/dbraw/zinc/50/76/35/399507635.db2.gz WXXPFNYYUGVBSM-LIRRHRJNSA-N 2 1 321.428 2.898 20 0 DFADMP CC[C@H]([NH2+]CCc1nccn1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422820719 296339399 /nfs/dbraw/zinc/33/93/99/296339399.db2.gz SAEXSIKRMNNQPT-ROUUACIJSA-N 2 1 312.461 2.594 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346999260 285000252 /nfs/dbraw/zinc/00/02/52/285000252.db2.gz FWCNPTURZCVXTD-LBPRGKRZSA-N 2 1 304.825 2.771 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346999260 285000254 /nfs/dbraw/zinc/00/02/54/285000254.db2.gz FWCNPTURZCVXTD-LBPRGKRZSA-N 2 1 304.825 2.771 20 0 DFADMP CN(C)c1ccc(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)cn1 ZINC000422826816 296340364 /nfs/dbraw/zinc/34/03/64/296340364.db2.gz CQTSZEOOWJRCSZ-ROUUACIJSA-N 2 1 310.445 2.731 20 0 DFADMP C[C@@H](c1cccc2ccccc21)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845836 399508065 /nfs/dbraw/zinc/50/80/65/399508065.db2.gz MDFKKXHYHVEARP-YOEHRIQHSA-N 2 1 321.428 2.898 20 0 DFADMP CC[C@H](c1ccc(Cl)cc1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846263 399508088 /nfs/dbraw/zinc/50/80/88/399508088.db2.gz XDALDECUCXIOJU-JKSUJKDBSA-N 2 1 319.840 2.788 20 0 DFADMP CCOC(=O)C[N@@H+](CC1CC[NH2+]CC1)[C@@H](C)c1ccccc1 ZINC000346999080 285000083 /nfs/dbraw/zinc/00/00/83/285000083.db2.gz FIUQKCYTNOKSOQ-HNNXBMFYSA-N 2 1 304.434 2.612 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422839116 296342380 /nfs/dbraw/zinc/34/23/80/296342380.db2.gz ZFZNCTQXULWNRT-ROUUACIJSA-N 2 1 312.461 2.733 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834954 296341663 /nfs/dbraw/zinc/34/16/63/296341663.db2.gz HZWQVDBPUJQBGD-ZOBUZTSGSA-N 2 1 307.507 2.690 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422853430 296345393 /nfs/dbraw/zinc/34/53/93/296345393.db2.gz BTTGEPYYHFLQAN-HOTGVXAUSA-N 3 1 301.478 2.759 20 0 DFADMP C[C@H](NCc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422853430 296345394 /nfs/dbraw/zinc/34/53/94/296345394.db2.gz BTTGEPYYHFLQAN-HOTGVXAUSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@H](NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1)C1C[NH2+]C1 ZINC000422853430 296345395 /nfs/dbraw/zinc/34/53/95/296345395.db2.gz BTTGEPYYHFLQAN-HOTGVXAUSA-N 2 1 301.478 2.759 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422860812 296346410 /nfs/dbraw/zinc/34/64/10/296346410.db2.gz LUVXPWIJOLFNTQ-KFWWJZLASA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422860812 296346411 /nfs/dbraw/zinc/34/64/11/296346411.db2.gz LUVXPWIJOLFNTQ-KFWWJZLASA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000422860814 296346487 /nfs/dbraw/zinc/34/64/87/296346487.db2.gz LUVXPWIJOLFNTQ-ZNMIVQPWSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[N@H+]1CCC[C@H](C)C1 ZINC000422860814 296346488 /nfs/dbraw/zinc/34/64/88/296346488.db2.gz LUVXPWIJOLFNTQ-ZNMIVQPWSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000422863416 296346687 /nfs/dbraw/zinc/34/66/87/296346687.db2.gz OYWPOHRBZRQUFD-ZNMIVQPWSA-N 2 1 304.482 2.762 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C)[N@H+]1CCCC[C@@H]1C ZINC000422863416 296346688 /nfs/dbraw/zinc/34/66/88/296346688.db2.gz OYWPOHRBZRQUFD-ZNMIVQPWSA-N 2 1 304.482 2.762 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@@H]1CC[N@H+](C2CCCC2)C1 ZINC000422865551 296347066 /nfs/dbraw/zinc/34/70/66/296347066.db2.gz YMNFWCDNVMJKJL-KVSKMBFKSA-N 2 1 301.478 2.551 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCN[C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000422860044 296346147 /nfs/dbraw/zinc/34/61/47/296346147.db2.gz KYPYJLGANPPQPC-NZSAHSFTSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2c(F)cccc2F)C1)c1c[nH+]ccc1N ZINC000422869038 296347561 /nfs/dbraw/zinc/34/75/61/296347561.db2.gz VXSLKPJMMNSVLC-RYUDHWBXSA-N 2 1 318.371 2.702 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc(OC)c1OC ZINC000422873458 296348425 /nfs/dbraw/zinc/34/84/25/296348425.db2.gz AKTXWJJCFTVWMZ-SQPSOYEMSA-N 2 1 320.433 2.646 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC[C@H]2CCCO2)c1 ZINC000422873131 296348487 /nfs/dbraw/zinc/34/84/87/296348487.db2.gz KCVFSSDYJDEEDJ-QZTJIDSGSA-N 2 1 318.461 2.785 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000422874836 296348721 /nfs/dbraw/zinc/34/87/21/296348721.db2.gz DINFTDGXKHFZPP-AYOQOUSVSA-N 2 1 301.478 2.888 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@H]2C[NH2+]CC[C@H]2C)CCOCC1 ZINC000422883637 296350163 /nfs/dbraw/zinc/35/01/63/296350163.db2.gz VIHPRDIBUKXLCB-AEFFLSMTSA-N 2 1 302.462 2.631 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N[C@H]1CCC[NH2+]CC1 ZINC000422889957 296351286 /nfs/dbraw/zinc/35/12/86/296351286.db2.gz RAJLCMJUSJJIFX-LMMKCTJWSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891027 296351469 /nfs/dbraw/zinc/35/14/69/296351469.db2.gz UKTMMCCVILLYIS-YSDSKTICSA-N 3 1 315.505 2.731 20 0 DFADMP C[C@@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891027 296351471 /nfs/dbraw/zinc/35/14/71/296351471.db2.gz UKTMMCCVILLYIS-YSDSKTICSA-N 2 1 315.505 2.731 20 0 DFADMP C[C@@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891027 296351472 /nfs/dbraw/zinc/35/14/72/296351472.db2.gz UKTMMCCVILLYIS-YSDSKTICSA-N 2 1 315.505 2.731 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CN[C@H](C)[C@@H]2CCCC[NH2+]2)cc1F ZINC000422900494 296352965 /nfs/dbraw/zinc/35/29/65/296352965.db2.gz JJXUUIUUVAXILW-DYVFJYSZSA-N 2 1 316.424 2.940 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CN[C@H](C)[C@H]2CCCC[NH2+]2)cc1F ZINC000422900493 296353191 /nfs/dbraw/zinc/35/31/91/296353191.db2.gz JJXUUIUUVAXILW-CXAGYDPISA-N 2 1 316.424 2.940 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422893710 296351868 /nfs/dbraw/zinc/35/18/68/296351868.db2.gz AOHDKDVDRSAXLV-QFBILLFUSA-N 2 1 301.478 2.676 20 0 DFADMP CCOC1CC([NH+](C)C/C=C\C[N@H+](C)C2CC(OCC)C2)C1 ZINC000347453828 285045417 /nfs/dbraw/zinc/04/54/17/285045417.db2.gz MPCWFMYHXCRAFG-FPLPWBNLSA-N 2 1 310.482 2.541 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422907234 296354222 /nfs/dbraw/zinc/35/42/22/296354222.db2.gz LDWZEEDNRYDQNW-ZLTBNTPESA-N 2 1 301.478 2.897 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422907234 296354223 /nfs/dbraw/zinc/35/42/23/296354223.db2.gz LDWZEEDNRYDQNW-ZLTBNTPESA-N 3 1 301.478 2.897 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000422907234 296354224 /nfs/dbraw/zinc/35/42/24/296354224.db2.gz LDWZEEDNRYDQNW-ZLTBNTPESA-N 3 1 301.478 2.897 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000422905656 296354431 /nfs/dbraw/zinc/35/44/31/296354431.db2.gz IOFHFJZVUDBQKA-GLJUWKHASA-N 2 1 323.431 2.659 20 0 DFADMP CCOC1CC([NH+](C)C/C=C/C[N@H+](C)C2CC(OCC)C2)C1 ZINC000347453826 285045329 /nfs/dbraw/zinc/04/53/29/285045329.db2.gz MPCWFMYHXCRAFG-BQYQJAHWSA-N 2 1 310.482 2.541 20 0 DFADMP CSC1(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCOCC1 ZINC000422924278 296355988 /nfs/dbraw/zinc/35/59/88/296355988.db2.gz UCSIUAVXZAXXML-DLBZAZTESA-N 2 1 320.502 2.982 20 0 DFADMP C[C@H]([NH2+]CCc1nc2ccccc2n1C(F)F)[C@@H]1CCC[NH2+]1 ZINC000422912198 296354970 /nfs/dbraw/zinc/35/49/70/296354970.db2.gz MOUGAZHVJGYKLK-RYUDHWBXSA-N 2 1 308.376 2.704 20 0 DFADMP FC(F)(F)COCC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000422931088 296356719 /nfs/dbraw/zinc/35/67/19/296356719.db2.gz WXZPDLDRMUSRPT-KBPBESRZSA-N 2 1 302.340 2.648 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422937714 296357963 /nfs/dbraw/zinc/35/79/63/296357963.db2.gz KAARPYWRKMIFTO-RLLQIKCJSA-N 2 1 315.505 2.786 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422937714 296357965 /nfs/dbraw/zinc/35/79/65/296357965.db2.gz KAARPYWRKMIFTO-RLLQIKCJSA-N 2 1 315.505 2.786 20 0 DFADMP CC(C)[C@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422947734 296359227 /nfs/dbraw/zinc/35/92/27/296359227.db2.gz YSJOBVSAFFPOLF-AHRSYUTCSA-N 2 1 315.505 2.799 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000269980706 208033555 /nfs/dbraw/zinc/03/35/55/208033555.db2.gz QXKYUXPZYHYDMR-WMZOPIPTSA-N 2 1 313.445 2.530 20 0 DFADMP O=C1CCCN1c1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000269980706 208033561 /nfs/dbraw/zinc/03/35/61/208033561.db2.gz QXKYUXPZYHYDMR-WMZOPIPTSA-N 2 1 313.445 2.530 20 0 DFADMP CC[C@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@@H]1CCCC[NH2+]1 ZINC000422952891 296360210 /nfs/dbraw/zinc/36/02/10/296360210.db2.gz CNYPHQKGJCTLGH-HOTGVXAUSA-N 2 1 323.868 2.580 20 0 DFADMP CC1CC[NH+](Cc2ccccc2CNC2CC[NH2+]CC2)CC1 ZINC000422965967 296361883 /nfs/dbraw/zinc/36/18/83/296361883.db2.gz MJFFMFHHWISUOK-UHFFFAOYSA-N 2 1 301.478 2.760 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422969737 296362984 /nfs/dbraw/zinc/36/29/84/296362984.db2.gz DLYCRJCFJCULLW-ZDUSSCGKSA-N 2 1 314.433 2.883 20 0 DFADMP C[N@@H+](Cc1cccnc1C(F)(F)F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000625347437 399528663 /nfs/dbraw/zinc/52/86/63/399528663.db2.gz DWDVMSRAFLNCDE-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP C[N@H+](Cc1cccnc1C(F)(F)F)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000625347437 399528665 /nfs/dbraw/zinc/52/86/65/399528665.db2.gz DWDVMSRAFLNCDE-LBPRGKRZSA-N 2 1 324.350 2.991 20 0 DFADMP CSc1cc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])ccn1 ZINC000422986811 296364198 /nfs/dbraw/zinc/36/41/98/296364198.db2.gz HKMBQBWJYDFTMP-XJKSGUPXSA-N 2 1 301.459 2.852 20 0 DFADMP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccco1)c1ccccc1OC ZINC000422985836 296364323 /nfs/dbraw/zinc/36/43/23/296364323.db2.gz AONHLDFZXBLRIH-KSSFIOAISA-N 2 1 318.417 2.721 20 0 DFADMP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)c2c(c1)OCCCO2 ZINC000422995245 296365111 /nfs/dbraw/zinc/36/51/11/296365111.db2.gz XMVUAGDYMLGDEA-IXDOHACOSA-N 2 1 316.445 2.858 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000347570098 285082460 /nfs/dbraw/zinc/08/24/60/285082460.db2.gz QCWYRPJZTQTOOF-KRWDZBQOSA-N 2 1 319.836 2.524 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000347570098 285082463 /nfs/dbraw/zinc/08/24/63/285082463.db2.gz QCWYRPJZTQTOOF-KRWDZBQOSA-N 2 1 319.836 2.524 20 0 DFADMP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)[C@H]1CCCCN1 ZINC000422989034 296364539 /nfs/dbraw/zinc/36/45/39/296364539.db2.gz LKOVXCGCROOHDO-RTBURBONSA-N 2 1 316.493 2.808 20 0 DFADMP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1cc(Cl)sc1Cl ZINC000422990163 296364595 /nfs/dbraw/zinc/36/45/95/296364595.db2.gz MZEPHHYKLOZTQY-UJNFCWOMSA-N 2 1 309.262 2.897 20 0 DFADMP CC[C@H]([NH2+]CCOc1ccc(C(F)(F)F)cn1)[C@@H]1CCC[NH2+]1 ZINC000422992893 296364779 /nfs/dbraw/zinc/36/47/79/296364779.db2.gz RYNAAPYQJGAFGT-STQMWFEESA-N 2 1 317.355 2.599 20 0 DFADMP O=C(Nc1cccc(C[NH2+]C2CC[NH2+]CC2)c1)c1ccccc1 ZINC000422996913 296365325 /nfs/dbraw/zinc/36/53/25/296365325.db2.gz AGSJKLFHZWBZGU-UHFFFAOYSA-N 2 1 309.413 2.781 20 0 DFADMP N[C@H]1CCCCC[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000422997692 296365659 /nfs/dbraw/zinc/36/56/59/296365659.db2.gz VKBDKSBXNLZXLF-ROUUACIJSA-N 2 1 302.466 2.548 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1)CC(F)(F)F ZINC000359196985 285089381 /nfs/dbraw/zinc/08/93/81/285089381.db2.gz AJJBIILQRFOUOZ-OAHLLOKOSA-N 2 1 321.431 2.582 20 0 DFADMP CN(C)c1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n1 ZINC000423014474 296367803 /nfs/dbraw/zinc/36/78/03/296367803.db2.gz PEVYUJYKBLUIPX-YESZJQIVSA-N 2 1 302.466 2.548 20 0 DFADMP COCCOCC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000271205097 285092035 /nfs/dbraw/zinc/09/20/35/285092035.db2.gz GEIBJXPOQVVQGL-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000271205097 285092040 /nfs/dbraw/zinc/09/20/40/285092040.db2.gz GEIBJXPOQVVQGL-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000271205097 285092043 /nfs/dbraw/zinc/09/20/43/285092043.db2.gz GEIBJXPOQVVQGL-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000271205097 285092044 /nfs/dbraw/zinc/09/20/44/285092044.db2.gz GEIBJXPOQVVQGL-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3CO2)[C@H]2CCC[C@@H]21 ZINC000624055693 399537846 /nfs/dbraw/zinc/53/78/46/399537846.db2.gz MRABSRFVGYJZKO-RDGPPVDQSA-N 2 1 300.446 2.590 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH3+])cc1)C(C)C ZINC000246558458 285098577 /nfs/dbraw/zinc/09/85/77/285098577.db2.gz UGVAZIQJWMDREC-ROUUACIJSA-N 2 1 317.477 2.774 20 0 DFADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)CO2 ZINC000624070617 399543172 /nfs/dbraw/zinc/54/31/72/399543172.db2.gz LFHWPAFYBBHEPZ-BURFUSLBSA-N 2 1 300.446 2.761 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([C@@H](C)[NH3+])C2)cc1)C(C)C ZINC000272241673 285097815 /nfs/dbraw/zinc/09/78/15/285097815.db2.gz KXTLPWYRGYQYPW-QAPCUYQASA-N 2 1 317.477 2.726 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000423039682 296370591 /nfs/dbraw/zinc/37/05/91/296370591.db2.gz QYDIGDSHWHLMEL-AWEZNQCLSA-N 3 1 304.482 2.621 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000624077848 399545374 /nfs/dbraw/zinc/54/53/74/399545374.db2.gz FBKJHWNGOXITST-NVXWUHKLSA-N 2 1 302.466 2.794 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000624077848 399545378 /nfs/dbraw/zinc/54/53/78/399545378.db2.gz FBKJHWNGOXITST-NVXWUHKLSA-N 2 1 302.466 2.794 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1cccc(C(F)(F)F)c1)N(C)C)C1C[NH2+]C1 ZINC000423048292 296371514 /nfs/dbraw/zinc/37/15/14/296371514.db2.gz IHJCUFLKGLSWKZ-IAQYHMDHSA-N 2 1 315.383 2.506 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1COc2ccc(F)cc21 ZINC000423045694 296371560 /nfs/dbraw/zinc/37/15/60/296371560.db2.gz DGENKWGFTGRCDY-BDJLRTHQSA-N 2 1 301.365 2.772 20 0 DFADMP FC(F)c1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423047916 296371608 /nfs/dbraw/zinc/37/16/08/296371608.db2.gz HSFIRTZRJWNEFR-BZUAXINKSA-N 2 1 310.388 2.871 20 0 DFADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000423047038 296371652 /nfs/dbraw/zinc/37/16/52/296371652.db2.gz UMYIVEZOOYHCEO-ZWKOTPCHSA-N 3 1 301.478 2.801 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(CCOCc2ccccc2)CC1 ZINC000423046096 296371762 /nfs/dbraw/zinc/37/17/62/296371762.db2.gz DCXWACNAPIUKHD-AEFFLSMTSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000423053075 296372568 /nfs/dbraw/zinc/37/25/68/296372568.db2.gz RZRALHZIDPUAQX-YTQUADARSA-N 2 1 303.494 2.873 20 0 DFADMP c1cc2c(s1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423054357 296372902 /nfs/dbraw/zinc/37/29/02/296372902.db2.gz UOIIYSMOFZKFSQ-UKMLZYKCSA-N 2 1 306.475 2.872 20 0 DFADMP C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000423059362 296373194 /nfs/dbraw/zinc/37/31/94/296373194.db2.gz FKIDQLCDZVIJQG-ZYSHUDEJSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423064509 296373950 /nfs/dbraw/zinc/37/39/50/296373950.db2.gz RMUBOSMPAGQCLI-CRWXNKLISA-N 2 1 308.388 2.590 20 0 DFADMP CC[C@@H](C)N(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000616976478 399551875 /nfs/dbraw/zinc/55/18/75/399551875.db2.gz QXNKYKJOEAGCGG-MRXNPFEDSA-N 2 1 323.525 2.830 20 0 DFADMP C[C@@H]([NH2+]CCc1ccccc1OC(F)F)c1c[nH+]ccc1N ZINC000423072877 296375373 /nfs/dbraw/zinc/37/53/73/296375373.db2.gz QIMHRHXHSZRXFB-LLVKDONJSA-N 2 1 307.344 2.989 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423076619 296375708 /nfs/dbraw/zinc/37/57/08/296375708.db2.gz ZMSAYJIYDVOIGX-BRSBDYLESA-N 2 1 316.445 2.565 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[NH+]1C ZINC000624100795 399553606 /nfs/dbraw/zinc/55/36/06/399553606.db2.gz HUCGMDJAFBCCKP-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[N@@H+]1C ZINC000624100795 399553609 /nfs/dbraw/zinc/55/36/09/399553609.db2.gz HUCGMDJAFBCCKP-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@H]1CCC[N@H+]1C ZINC000624100795 399553615 /nfs/dbraw/zinc/55/36/15/399553615.db2.gz HUCGMDJAFBCCKP-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000624100795 399553621 /nfs/dbraw/zinc/55/36/21/399553621.db2.gz HUCGMDJAFBCCKP-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CCCN1C ZINC000624100795 399553627 /nfs/dbraw/zinc/55/36/27/399553627.db2.gz HUCGMDJAFBCCKP-QXAKKESOSA-N 2 1 301.478 2.581 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423087374 296376734 /nfs/dbraw/zinc/37/67/34/296376734.db2.gz PJOYJQYLZXEFAC-AITUJVMLSA-N 2 1 318.436 2.950 20 0 DFADMP Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423095657 296377822 /nfs/dbraw/zinc/37/78/22/296377822.db2.gz MVUXEKIQDSAFKV-CGTJXYLNSA-N 2 1 306.425 2.505 20 0 DFADMP Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423095660 296377916 /nfs/dbraw/zinc/37/79/16/296377916.db2.gz MVUXEKIQDSAFKV-NXHRZFHOSA-N 2 1 306.425 2.505 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1)[NH+]1CCCCC1 ZINC000616994076 399557627 /nfs/dbraw/zinc/55/76/27/399557627.db2.gz UDZCWIUGYPZMCF-IRXDYDNUSA-N 2 1 323.525 2.734 20 0 DFADMP Fc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)c1 ZINC000423095434 296377422 /nfs/dbraw/zinc/37/74/22/296377422.db2.gz MDWQYOPKRWEVKN-GPFWEFOESA-N 2 1 318.436 2.818 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Br)cn1 ZINC000423093033 296377702 /nfs/dbraw/zinc/37/77/02/296377702.db2.gz FJSAUPCZYXLUKY-MDFVCYEDSA-N 2 1 310.239 2.778 20 0 DFADMP C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000423102266 296378611 /nfs/dbraw/zinc/37/86/11/296378611.db2.gz DSYFKLOZXZTOSQ-OTYXRUKQSA-N 2 1 303.233 2.614 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000616996962 399559486 /nfs/dbraw/zinc/55/94/86/399559486.db2.gz RNAVKXHAWYMAET-ZDUSSCGKSA-N 2 1 323.506 2.660 20 0 DFADMP CCc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@@H+](C)C3)CC2)n1 ZINC000624122633 399560843 /nfs/dbraw/zinc/56/08/43/399560843.db2.gz XDWJQPRNHKJCCI-QQFBHYJXSA-N 2 1 320.481 2.980 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000624121348 399560926 /nfs/dbraw/zinc/56/09/26/399560926.db2.gz UGLFJLPRNGRVLT-IYXRBSQSSA-N 2 1 308.388 2.544 20 0 DFADMP CC1(c2ccccc2)CC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1 ZINC000423112504 296379947 /nfs/dbraw/zinc/37/99/47/296379947.db2.gz XKCJCFNBWXCRPQ-WDEUGEGNSA-N 2 1 314.473 2.853 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C/C=C/c1ccc(F)c(F)c1 ZINC000286504074 219025187 /nfs/dbraw/zinc/02/51/87/219025187.db2.gz MNRLROVXKRZGLZ-WMHVBEDNSA-N 2 1 324.415 2.805 20 0 DFADMP Cc1noc(C2CCC([NH2+]C[C@H]3CCCC[N@H+](C)C3)CC2)n1 ZINC000624124093 399562711 /nfs/dbraw/zinc/56/27/11/399562711.db2.gz XEBVNVKHSUNUSV-QQFBHYJXSA-N 2 1 306.454 2.726 20 0 DFADMP CSC1(C[NH2+][C@@H]2C[C@H](N)c3ccccc32)CC[NH+](C)CC1 ZINC000423118824 296380768 /nfs/dbraw/zinc/38/07/68/296380768.db2.gz AHBZCGHGYULSID-JKSUJKDBSA-N 2 1 305.491 2.548 20 0 DFADMP CSC1(CN[C@@H]2C[C@H]([NH3+])c3ccccc32)CC[NH+](C)CC1 ZINC000423118824 296380769 /nfs/dbraw/zinc/38/07/69/296380769.db2.gz AHBZCGHGYULSID-JKSUJKDBSA-N 2 1 305.491 2.548 20 0 DFADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000423123795 296381353 /nfs/dbraw/zinc/38/13/53/296381353.db2.gz NIXACAJGDMFMNP-OWCLPIDISA-N 2 1 302.466 2.548 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@H]2CCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423130830 296382265 /nfs/dbraw/zinc/38/22/65/296382265.db2.gz SFNIUBSAVPSKKH-NEWSRXKRSA-N 2 1 319.493 2.794 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])s1 ZINC000423128561 296381885 /nfs/dbraw/zinc/38/18/85/296381885.db2.gz KZIOAPAZHIHLQH-HIFRSBDPSA-N 2 1 318.490 2.752 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CCC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423143153 296384096 /nfs/dbraw/zinc/38/40/96/296384096.db2.gz CLZRXAPKQXKWGO-RDJZCZTQSA-N 2 1 307.507 2.743 20 0 DFADMP CSc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)[NH+](C)C)cc1 ZINC000423142924 296384244 /nfs/dbraw/zinc/38/42/44/296384244.db2.gz BQMWPMPDLUZPKV-WBAXXEDZSA-N 2 1 321.534 2.989 20 0 DFADMP CC[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@@H]1CCC[NH2+]1 ZINC000423137859 296383550 /nfs/dbraw/zinc/38/35/50/296383550.db2.gz XBRAZUVGFOHKME-STQMWFEESA-N 2 1 301.356 2.763 20 0 DFADMP Cn1nc2c(c1C[NH2+][C@H]1CC[NH2+][C@@H](c3ccccc3)C1)CCCC2 ZINC000423139054 296383560 /nfs/dbraw/zinc/38/35/60/296383560.db2.gz KCAGIDOMTURXOD-QFBILLFUSA-N 2 1 324.472 2.882 20 0 DFADMP C=Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423143078 296384419 /nfs/dbraw/zinc/38/44/19/296384419.db2.gz WHMPUHAZPPXLFE-OTWHNJEPSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423146131 296384529 /nfs/dbraw/zinc/38/45/29/296384529.db2.gz ODCVQTSBTYZCJE-GSEOLPGOSA-N 2 1 314.473 2.853 20 0 DFADMP COCC[N@H+](C)CCCC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000158300669 197260939 /nfs/dbraw/zinc/26/09/39/197260939.db2.gz CONXGGGZAXZPBS-UHFFFAOYSA-N 2 1 305.466 2.965 20 0 DFADMP COCC[N@@H+](C)CCCC1CCN(c2cccc(C)[nH+]2)CC1 ZINC000158300669 197260940 /nfs/dbraw/zinc/26/09/40/197260940.db2.gz CONXGGGZAXZPBS-UHFFFAOYSA-N 2 1 305.466 2.965 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000617009083 399569334 /nfs/dbraw/zinc/56/93/34/399569334.db2.gz RXLIVBNIKCZMFY-DLBZAZTESA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000617009083 399569340 /nfs/dbraw/zinc/56/93/40/399569340.db2.gz RXLIVBNIKCZMFY-DLBZAZTESA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000617009083 399569345 /nfs/dbraw/zinc/56/93/45/399569345.db2.gz RXLIVBNIKCZMFY-DLBZAZTESA-N 2 1 321.509 2.773 20 0 DFADMP FCC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCOCC1 ZINC000423153406 296385799 /nfs/dbraw/zinc/38/57/99/296385799.db2.gz NIYKDORFAOVPEQ-IAGOWNOFSA-N 2 1 306.425 2.836 20 0 DFADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H](N)c3ccccc32)C1)C(N)=O ZINC000423163494 296386886 /nfs/dbraw/zinc/38/68/86/296386886.db2.gz VPIMZZWNMUHKDI-IAOVAPTHSA-N 2 1 315.461 2.745 20 0 DFADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2C[C@@H]([NH3+])c3ccccc32)C1)C(N)=O ZINC000423163494 296386888 /nfs/dbraw/zinc/38/68/88/296386888.db2.gz VPIMZZWNMUHKDI-IAOVAPTHSA-N 2 1 315.461 2.745 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617009390 399570425 /nfs/dbraw/zinc/57/04/25/399570425.db2.gz XZWHIZVMYLAITB-SJORKVTESA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2C[C@H](N)c3ccccc32)C1)C(N)=O ZINC000423163496 296387005 /nfs/dbraw/zinc/38/70/05/296387005.db2.gz VPIMZZWNMUHKDI-RRQGHBQHSA-N 2 1 315.461 2.745 20 0 DFADMP CC(C)(C[C@@H]1CCC[N@H+]([C@@H]2C[C@H]([NH3+])c3ccccc32)C1)C(N)=O ZINC000423163496 296387008 /nfs/dbraw/zinc/38/70/08/296387008.db2.gz VPIMZZWNMUHKDI-RRQGHBQHSA-N 2 1 315.461 2.745 20 0 DFADMP CC[C@H]([NH2+][C@@H](CO)Cc1ccc(C)c(C)c1)[C@H]1CCCC[NH2+]1 ZINC000423169917 296387755 /nfs/dbraw/zinc/38/77/55/296387755.db2.gz XCXUQTWSCKRWOW-CEXWTWQISA-N 2 1 304.478 2.717 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000423182477 296389256 /nfs/dbraw/zinc/38/92/56/296389256.db2.gz DYFHLROQCOQDQS-GBESFXJTSA-N 2 1 317.477 2.746 20 0 DFADMP CC(C)CO[C@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423182790 296389281 /nfs/dbraw/zinc/38/92/81/296389281.db2.gz FMQOVTCSHNUWDL-ROUUACIJSA-N 2 1 319.493 2.991 20 0 DFADMP CC(C)CO[C@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423182788 296389339 /nfs/dbraw/zinc/38/93/39/296389339.db2.gz FMQOVTCSHNUWDL-MSOLQXFVSA-N 2 1 319.493 2.991 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157559085 197197536 /nfs/dbraw/zinc/19/75/36/197197536.db2.gz LRWJQFVKDUXVDY-OMNBBPDLSA-N 2 1 310.869 2.866 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602796944 399578404 /nfs/dbraw/zinc/57/84/04/399578404.db2.gz KXTBJUXRMUYWDZ-HNNXBMFYSA-N 2 1 307.438 2.634 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602796944 399578407 /nfs/dbraw/zinc/57/84/07/399578407.db2.gz KXTBJUXRMUYWDZ-HNNXBMFYSA-N 2 1 307.438 2.634 20 0 DFADMP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CC[NH3+] ZINC000423195764 296391141 /nfs/dbraw/zinc/39/11/41/296391141.db2.gz ZXXRUBDVUYQPMV-MRVPVSSYSA-N 2 1 323.746 2.624 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)C2CCCC2)cc1 ZINC000423205973 296392289 /nfs/dbraw/zinc/39/22/89/296392289.db2.gz WNORYTGEQILMGP-AWEZNQCLSA-N 2 1 324.490 2.663 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214722 296393202 /nfs/dbraw/zinc/39/32/02/296393202.db2.gz PJOHVOZFSZCNCO-LWYYNNOASA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214722 296393203 /nfs/dbraw/zinc/39/32/03/296393203.db2.gz PJOHVOZFSZCNCO-LWYYNNOASA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423214722 296393205 /nfs/dbraw/zinc/39/32/05/296393205.db2.gz PJOHVOZFSZCNCO-LWYYNNOASA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H]([NH3+])CC[NH2+][C@@H]1CCc2c1c(Br)ccc2F ZINC000423222578 296394325 /nfs/dbraw/zinc/39/43/25/296394325.db2.gz BSKCJKWOWMRRAI-PRHODGIISA-N 2 1 301.203 2.902 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423236014 296395577 /nfs/dbraw/zinc/39/55/77/296395577.db2.gz HBXXSYCYJBIQFX-NSISKUIASA-N 2 1 324.472 2.582 20 0 DFADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[N@H+](C3CC3)C[C@H]2C)cc1 ZINC000423238769 296396002 /nfs/dbraw/zinc/39/60/02/296396002.db2.gz JHKCIGJVCFAMEY-ZMYBRWDISA-N 2 1 301.478 2.882 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCCC1)c1ccc(-n2cncn2)cc1 ZINC000423267871 296398471 /nfs/dbraw/zinc/39/84/71/296398471.db2.gz UCNHKXNWGUKAFK-KBXCAEBGSA-N 2 1 313.449 2.826 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000423266889 296398645 /nfs/dbraw/zinc/39/86/45/296398645.db2.gz DWOTVROQHUMRDZ-KPFFTGBYSA-N 3 1 315.505 2.799 20 0 DFADMP Cc1c([C@H](C)[NH2+]CC2C[NH2+]C2)cnn1-c1cccc(Cl)c1 ZINC000423299469 296402044 /nfs/dbraw/zinc/40/20/44/296402044.db2.gz BUNRBDARZHTMHG-NSHDSACASA-N 2 1 304.825 2.704 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624217625 399601511 /nfs/dbraw/zinc/60/15/11/399601511.db2.gz ASCNVVWGXRSWEU-SWBPCFCJSA-N 2 1 314.473 2.648 20 0 DFADMP CC[C@H](C(=O)OC(C)(C)C)[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602851112 399601581 /nfs/dbraw/zinc/60/15/81/399601581.db2.gz ZIHBDZYOXVRERK-MRXNPFEDSA-N 2 1 319.449 2.714 20 0 DFADMP CC[C@H](C(=O)OC(C)(C)C)[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000602851112 399601584 /nfs/dbraw/zinc/60/15/84/399601584.db2.gz ZIHBDZYOXVRERK-MRXNPFEDSA-N 2 1 319.449 2.714 20 0 DFADMP CCN1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347882886 285223463 /nfs/dbraw/zinc/22/34/63/285223463.db2.gz VGPMJNZYIZOSMM-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000347882886 285223465 /nfs/dbraw/zinc/22/34/65/285223465.db2.gz VGPMJNZYIZOSMM-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@@H](C)[C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000347882886 285223469 /nfs/dbraw/zinc/22/34/69/285223469.db2.gz VGPMJNZYIZOSMM-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000347882886 285223471 /nfs/dbraw/zinc/22/34/71/285223471.db2.gz VGPMJNZYIZOSMM-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@H](N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000347882886 285223474 /nfs/dbraw/zinc/22/34/74/285223474.db2.gz VGPMJNZYIZOSMM-SXLOBPIMSA-N 2 1 315.505 2.971 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000155201565 197031862 /nfs/dbraw/zinc/03/18/62/197031862.db2.gz SQUOATIARKSAQX-BFYDXBDKSA-N 2 1 320.477 2.955 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(OC)c2)C1 ZINC000154870125 197000610 /nfs/dbraw/zinc/00/06/10/197000610.db2.gz MGTHWUHPRROLRR-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCOc2cccc(OC)c2)C1 ZINC000154870125 197000612 /nfs/dbraw/zinc/00/06/12/197000612.db2.gz MGTHWUHPRROLRR-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000154870125 197000614 /nfs/dbraw/zinc/00/06/14/197000614.db2.gz MGTHWUHPRROLRR-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000154870125 197000616 /nfs/dbraw/zinc/00/06/16/197000616.db2.gz MGTHWUHPRROLRR-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP COC(=O)C[NH+]1CCC2(CC1)CC[NH+](Cc1ccccc1)CC2 ZINC000602860699 399605851 /nfs/dbraw/zinc/60/58/51/399605851.db2.gz DMLQIHVRVQXYRY-UHFFFAOYSA-N 2 1 316.445 2.538 20 0 DFADMP CCCN(CCC[NH+](C)C)C(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000347909883 285238699 /nfs/dbraw/zinc/23/86/99/285238699.db2.gz QRZCDDAVFCICEN-GOSISDBHSA-N 2 1 319.493 2.870 20 0 DFADMP Cc1cc(Br)cc2c1[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423419149 296414920 /nfs/dbraw/zinc/41/49/20/296414920.db2.gz APUPJNHYXZABDJ-COMQUAJESA-N 2 1 307.235 2.552 20 0 DFADMP COc1cccc(C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000423424573 296415528 /nfs/dbraw/zinc/41/55/28/296415528.db2.gz FXIZGPSHCCRMMT-WCIQWLHISA-N 2 1 308.425 2.786 20 0 DFADMP COC(=O)c1ccc(F)c(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000602877379 399612118 /nfs/dbraw/zinc/61/21/18/399612118.db2.gz IBEFHKOJOGQXKQ-UHFFFAOYSA-N 2 1 320.408 2.530 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)c(F)c1 ZINC000602877695 399612296 /nfs/dbraw/zinc/61/22/96/399612296.db2.gz KHMJVXVZCRMNQC-UHFFFAOYSA-N 2 1 320.408 2.530 20 0 DFADMP Brc1cccc2c1CCC[C@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423439990 296416685 /nfs/dbraw/zinc/41/66/85/296416685.db2.gz SRMUUQVUDPRYFV-OSRDXIQISA-N 2 1 307.235 2.634 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@H+]2CCC3(C2)CC[NH+](C)CC3)cc1C ZINC000602877033 399612729 /nfs/dbraw/zinc/61/27/29/399612729.db2.gz KHBSHCFTUYKMIY-AWEZNQCLSA-N 2 1 320.433 2.853 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C12CCCC2 ZINC000423467366 296418733 /nfs/dbraw/zinc/41/87/33/296418733.db2.gz DTEGRCLCKDDVKJ-MGPQQGTHSA-N 2 1 302.409 2.559 20 0 DFADMP Fc1ccc2c(c1)OCCC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423475380 296419625 /nfs/dbraw/zinc/41/96/25/296419625.db2.gz KGDDSGATWXVURG-FZMZJTMJSA-N 2 1 314.351 2.874 20 0 DFADMP COc1cccc(C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C2CC2)c1 ZINC000423470059 296419069 /nfs/dbraw/zinc/41/90/69/296419069.db2.gz GILIMMVXLMIHGS-RDJZCZTQSA-N 2 1 324.415 2.851 20 0 DFADMP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423470203 296419183 /nfs/dbraw/zinc/41/91/83/296419183.db2.gz GOTDQWXPUQRABJ-RISCZKNCSA-N 2 1 314.351 2.656 20 0 DFADMP COc1cccc(C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C2CC2)c1 ZINC000423470041 296419189 /nfs/dbraw/zinc/41/91/89/296419189.db2.gz GILIMMVXLMIHGS-DOTOQJQBSA-N 2 1 324.415 2.851 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)N[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000423481637 296420610 /nfs/dbraw/zinc/42/06/10/296420610.db2.gz QFJJBUGYOPYOBM-LRDDRELGSA-N 2 1 320.387 2.829 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)c(F)c1 ZINC000423485600 296421097 /nfs/dbraw/zinc/42/10/97/296421097.db2.gz TXIAETZFKKOTGM-GHMZBOCLSA-N 2 1 302.340 2.730 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cc(Br)cs1 ZINC000423492767 296421745 /nfs/dbraw/zinc/42/17/45/296421745.db2.gz OOIXBUDHQYINAG-MWLCHTKSSA-N 2 1 319.268 2.540 20 0 DFADMP COC(=O)C[C@H]([NH2+]CCCn1cc[nH+]c1C)C1CCCCC1 ZINC000347961849 285270936 /nfs/dbraw/zinc/27/09/36/285270936.db2.gz OFGCGOHFMGYMNY-INIZCTEOSA-N 2 1 307.438 2.683 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000289474654 221001971 /nfs/dbraw/zinc/00/19/71/221001971.db2.gz BEQRPMLHLARHRN-ROUUACIJSA-N 2 1 317.477 2.531 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1cccc(OCCCOC)c1 ZINC000289504499 221024873 /nfs/dbraw/zinc/02/48/73/221024873.db2.gz TYLSFJMHAKXCGH-UHFFFAOYSA-N 2 1 308.466 2.876 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1cccc(OCCCOC)c1 ZINC000289504499 221024877 /nfs/dbraw/zinc/02/48/77/221024877.db2.gz TYLSFJMHAKXCGH-UHFFFAOYSA-N 2 1 308.466 2.876 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnns2)CC1 ZINC000289496625 221018459 /nfs/dbraw/zinc/01/84/59/221018459.db2.gz DBNKZUFAEPZMDS-UHFFFAOYSA-N 2 1 316.474 2.882 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnns2)CC1 ZINC000289496625 221018461 /nfs/dbraw/zinc/01/84/61/221018461.db2.gz DBNKZUFAEPZMDS-UHFFFAOYSA-N 2 1 316.474 2.882 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000289650013 221129540 /nfs/dbraw/zinc/12/95/40/221129540.db2.gz GEDHBVFKXTWFHJ-ZCNNSNEGSA-N 2 1 324.472 2.843 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513511 399630686 /nfs/dbraw/zinc/63/06/86/399630686.db2.gz LFIZWEGPLYRZTP-NWDGAFQWSA-N 2 1 318.387 2.839 20 0 DFADMP C[C@H](CCCO)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000294879018 224282171 /nfs/dbraw/zinc/28/21/71/224282171.db2.gz VKFSTEIEUZWLFY-BTHPGYMESA-N 2 1 316.489 2.895 20 0 DFADMP CC(C)(CO)[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000081017132 542493717 /nfs/dbraw/zinc/49/37/17/542493717.db2.gz FBRJZDUVQVCLOS-UHFFFAOYSA-N 2 1 319.836 2.781 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2C)nn1 ZINC000289798327 221232948 /nfs/dbraw/zinc/23/29/48/221232948.db2.gz RAYDKHBRGVBVMK-AWEZNQCLSA-N 2 1 324.432 2.507 20 0 DFADMP Cc1c[nH]nc1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000289908099 221308850 /nfs/dbraw/zinc/30/88/50/221308850.db2.gz NVLABTZTYXDOMF-UHFFFAOYSA-N 2 1 304.463 2.781 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000629528214 399636389 /nfs/dbraw/zinc/63/63/89/399636389.db2.gz SSMBTLKWGXKHSM-VBNZEHGJSA-N 2 1 306.450 2.673 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000629528318 399636791 /nfs/dbraw/zinc/63/67/91/399636791.db2.gz WFWYWSZDAJYFRV-QXCFHYIPSA-N 2 1 301.478 2.770 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000629526007 399636891 /nfs/dbraw/zinc/63/68/91/399636891.db2.gz IPKVTNVEGYHWRE-DSLXNQLJSA-N 2 1 301.478 2.627 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567660 399652685 /nfs/dbraw/zinc/65/26/85/399652685.db2.gz PRTPUSATKXQICA-KGLIPLIRSA-N 2 1 316.367 2.963 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629567660 399652689 /nfs/dbraw/zinc/65/26/89/399652689.db2.gz PRTPUSATKXQICA-KGLIPLIRSA-N 2 1 316.367 2.963 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000629596874 399660098 /nfs/dbraw/zinc/66/00/98/399660098.db2.gz BGPJWSABWFARNO-MJGOQNOKSA-N 2 1 302.462 2.815 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC[C@@H]1CC=CCC1 ZINC000629596874 399660101 /nfs/dbraw/zinc/66/01/01/399660101.db2.gz BGPJWSABWFARNO-MJGOQNOKSA-N 2 1 302.462 2.815 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000629610231 399663307 /nfs/dbraw/zinc/66/33/07/399663307.db2.gz UZBHOOMCDXGSTL-HLAWJBBLSA-N 2 1 324.468 2.933 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000629610231 399663313 /nfs/dbraw/zinc/66/33/13/399663313.db2.gz UZBHOOMCDXGSTL-HLAWJBBLSA-N 2 1 324.468 2.933 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)c2sccc21 ZINC000629545492 399643053 /nfs/dbraw/zinc/64/30/53/399643053.db2.gz BXIWCRNRWKOFBM-KYOSRNDESA-N 2 1 317.462 2.602 20 0 DFADMP CCC[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccsc1 ZINC000629549305 399644090 /nfs/dbraw/zinc/64/40/90/399644090.db2.gz JVEVPYGUOVRUHB-GJZGRUSLSA-N 2 1 305.451 2.505 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629560290 399649203 /nfs/dbraw/zinc/64/92/03/399649203.db2.gz FBQIORZUNRAJFP-HIFRSBDPSA-N 2 1 316.367 2.915 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629560290 399649209 /nfs/dbraw/zinc/64/92/09/399649209.db2.gz FBQIORZUNRAJFP-HIFRSBDPSA-N 2 1 316.367 2.915 20 0 DFADMP Cc1[nH]c2c(cc(C)cc2C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1C ZINC000629559916 399649462 /nfs/dbraw/zinc/64/94/62/399649462.db2.gz UVBPCBDMFMRDQD-KRWDZBQOSA-N 2 1 315.461 2.639 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629563738 399650693 /nfs/dbraw/zinc/65/06/93/399650693.db2.gz QNFAWRZAQVGZFX-RBSFLKMASA-N 2 1 316.367 2.833 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629563738 399650698 /nfs/dbraw/zinc/65/06/98/399650698.db2.gz QNFAWRZAQVGZFX-RBSFLKMASA-N 2 1 316.367 2.833 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000629571311 399652593 /nfs/dbraw/zinc/65/25/93/399652593.db2.gz KSNPHRVJOAJONG-GFCCVEGCSA-N 2 1 320.355 2.814 20 0 DFADMP Cc1noc([C@H](C)N2CC[C@H](CNc3cc(C)ccn3)C2)n1 ZINC000624484642 399685883 /nfs/dbraw/zinc/68/58/83/399685883.db2.gz GSXWOTGDCKUJLI-GXTWGEPZSA-N 2 1 301.394 2.576 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)c1ccccc1 ZINC000617351785 399675061 /nfs/dbraw/zinc/67/50/61/399675061.db2.gz PKLSVADIWOOJRS-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](C(C)(C)C)C1)c1ccccc1 ZINC000617351785 399675066 /nfs/dbraw/zinc/67/50/66/399675066.db2.gz PKLSVADIWOOJRS-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351785 399675072 /nfs/dbraw/zinc/67/50/72/399675072.db2.gz PKLSVADIWOOJRS-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617351785 399675080 /nfs/dbraw/zinc/67/50/80/399675080.db2.gz PKLSVADIWOOJRS-DLBZAZTESA-N 2 1 317.477 2.668 20 0 DFADMP C[NH2+]Cc1cccc(-c2ccccc2CN2CC[NH+](C)CC2)c1 ZINC000629735145 399708206 /nfs/dbraw/zinc/70/82/06/399708206.db2.gz JZQYLARQZPOZPJ-UHFFFAOYSA-N 2 1 309.457 2.820 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)C[C@@H](C)C2CCCCC2)CC1 ZINC000625986858 399709819 /nfs/dbraw/zinc/70/98/19/399709819.db2.gz WHTWIPRNESPEIH-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP CC[C@@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091982075 542543457 /nfs/dbraw/zinc/54/34/57/542543457.db2.gz GQOKSPXTTOZSCI-GOSISDBHSA-N 2 1 318.461 2.772 20 0 DFADMP CC[C@@H]1COCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091982075 542543460 /nfs/dbraw/zinc/54/34/60/542543460.db2.gz GQOKSPXTTOZSCI-GOSISDBHSA-N 2 1 318.461 2.772 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1(C)CCCCCC1 ZINC000617506511 399719868 /nfs/dbraw/zinc/71/98/68/399719868.db2.gz QEHNWSBNBQOTBU-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1(C)CCCCCC1 ZINC000617506511 399719874 /nfs/dbraw/zinc/71/98/74/399719874.db2.gz QEHNWSBNBQOTBU-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348100148 285348942 /nfs/dbraw/zinc/34/89/42/285348942.db2.gz DZZTUFPSEBXUKG-XJFOESAGSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348100148 285348944 /nfs/dbraw/zinc/34/89/44/285348944.db2.gz DZZTUFPSEBXUKG-XJFOESAGSA-N 2 1 308.388 2.806 20 0 DFADMP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000121644263 195323362 /nfs/dbraw/zinc/32/33/62/195323362.db2.gz HXNBYEVSMVPYOU-KRWDZBQOSA-N 2 1 304.434 2.564 20 0 DFADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000121663720 195326488 /nfs/dbraw/zinc/32/64/88/195326488.db2.gz XGJREIPIGQILES-UHFFFAOYSA-N 2 1 323.868 2.942 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000121715028 195333993 /nfs/dbraw/zinc/33/39/93/195333993.db2.gz ZMUGGMRSTMQLGN-HXUWFJFHSA-N 2 1 315.505 2.767 20 0 DFADMP C[C@@H](C(=O)NCc1ccccc1C[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000121985125 195385529 /nfs/dbraw/zinc/38/55/29/195385529.db2.gz GQOQFAROCPIVAU-XHSDSOJGSA-N 2 1 317.477 2.626 20 0 DFADMP O[C@H]1c2ccccc2C[C@H]1[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000182792191 285373361 /nfs/dbraw/zinc/37/33/61/285373361.db2.gz NLFRKBZUGZCLMC-UHOSZYNNSA-N 2 1 300.446 2.595 20 0 DFADMP CC[C@@H](C)NC(=O)[C@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062349 399741561 /nfs/dbraw/zinc/74/15/61/399741561.db2.gz PIOVLBMTMQSCMD-CVEARBPZSA-N 2 1 319.493 2.873 20 0 DFADMP CC[N@@H+](CCn1cc(C)cn1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062645 399741699 /nfs/dbraw/zinc/74/16/99/399741699.db2.gz ZXLFKBKBXOWRGA-UHFFFAOYSA-N 2 1 300.450 2.775 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H]1CCN(C(C)C)C1=O ZINC000626062157 399741877 /nfs/dbraw/zinc/74/18/77/399741877.db2.gz JTCGRHOMVKVHFS-GOSISDBHSA-N 2 1 317.477 2.579 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccc2c(c1)OCCO2 ZINC000295921296 533341513 /nfs/dbraw/zinc/34/15/13/533341513.db2.gz JWKGRKLNKGLWGD-OHRKKDJYSA-N 2 1 302.418 2.734 20 0 DFADMP C[C@@H]([NH2+]CC1CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309714448 533367924 /nfs/dbraw/zinc/36/79/24/533367924.db2.gz LFOUIKSXTPJYFT-VQIMIIECSA-N 2 1 302.462 2.913 20 0 DFADMP OC[C@H]1CC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000121366607 542584619 /nfs/dbraw/zinc/58/46/19/542584619.db2.gz KQIYACGVLDVWPC-HDICACEKSA-N 2 1 302.462 2.792 20 0 DFADMP COc1cccc(C[C@H]([NH2+]C[C@H]2CCC[N@@H+](C)C2)C2CC2)c1 ZINC000121326612 542584770 /nfs/dbraw/zinc/58/47/70/542584770.db2.gz UNIQIDBHUMLDEA-APWZRJJASA-N 2 1 302.462 2.948 20 0 DFADMP C[C@@H](NCC[NH+]1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442929 130031491 /nfs/dbraw/zinc/03/14/91/130031491.db2.gz ITYHTARTBMEXLV-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]([NH2+]CCN1CCCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272442929 130031495 /nfs/dbraw/zinc/03/14/95/130031495.db2.gz ITYHTARTBMEXLV-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621329385 399756449 /nfs/dbraw/zinc/75/64/49/399756449.db2.gz AASPPDYNXHKSLL-UHFFFAOYSA-N 2 1 323.444 2.811 20 0 DFADMP COc1ccc([C@@H]2CC[N@H+](CCCc3c[nH+]cn3C)C2)cc1F ZINC000626126972 399765054 /nfs/dbraw/zinc/76/50/54/399765054.db2.gz AMYVUXJMAGRVHQ-OAHLLOKOSA-N 2 1 317.408 2.990 20 0 DFADMP COc1ccc([C@@H]2CC[N@@H+](CCCc3c[nH+]cn3C)C2)cc1F ZINC000626126972 399765056 /nfs/dbraw/zinc/76/50/56/399765056.db2.gz AMYVUXJMAGRVHQ-OAHLLOKOSA-N 2 1 317.408 2.990 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC000629961024 399770461 /nfs/dbraw/zinc/77/04/61/399770461.db2.gz GSARFIJDXXMNNO-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC000629961024 399770465 /nfs/dbraw/zinc/77/04/65/399770465.db2.gz GSARFIJDXXMNNO-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCCN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000629961024 399770469 /nfs/dbraw/zinc/77/04/69/399770469.db2.gz GSARFIJDXXMNNO-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](C)[C@H](C(=O)N[C@H](C[NH3+])C1CCCC1)c1cccc(Cl)c1 ZINC000423936897 296467969 /nfs/dbraw/zinc/46/79/69/296467969.db2.gz DLYZQFRQGWMYMG-CVEARBPZSA-N 2 1 323.868 2.576 20 0 DFADMP C/C=C\C[C@@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162675 399782054 /nfs/dbraw/zinc/78/20/54/399782054.db2.gz XPQXQYBRTHZFJJ-VGOKWCNXSA-N 2 1 321.509 2.654 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)ccc1F ZINC000603517318 399786120 /nfs/dbraw/zinc/78/61/20/399786120.db2.gz OSNONTOWRICKRJ-QGZVFWFLSA-N 2 1 306.425 2.867 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cn3cccc(C)c3n2)[C@H](C)C1 ZINC000156304892 542700916 /nfs/dbraw/zinc/70/09/16/542700916.db2.gz JUYKEHDKWOTFMP-WBVHZDCISA-N 2 1 300.450 2.505 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CC3)CC1)CC2 ZINC000162590926 542737531 /nfs/dbraw/zinc/73/75/31/542737531.db2.gz PHTNSFFRNWZHMB-QGZVFWFLSA-N 2 1 300.446 2.769 20 0 DFADMP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166156741 542750108 /nfs/dbraw/zinc/75/01/08/542750108.db2.gz BPPCFDSKLRVDCQ-IAGOWNOFSA-N 2 1 313.445 2.530 20 0 DFADMP O=C1CCCN1c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166156741 542750112 /nfs/dbraw/zinc/75/01/12/542750112.db2.gz BPPCFDSKLRVDCQ-IAGOWNOFSA-N 2 1 313.445 2.530 20 0 DFADMP CN(CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1F ZINC000166251631 542750401 /nfs/dbraw/zinc/75/04/01/542750401.db2.gz VTOXNQPJIUBDRA-JKSUJKDBSA-N 2 1 305.441 2.868 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CNC(=O)[C@H]([NH3+])c2cccc(Cl)c2)C1 ZINC000166357325 542751766 /nfs/dbraw/zinc/75/17/66/542751766.db2.gz AFFYTMDSSKYXFP-XJKSGUPXSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H]1C[C@H](Nc2ccccc2C[NH+]2CCC(O)CC2)CC[N@H+]1C ZINC000182249507 542793868 /nfs/dbraw/zinc/79/38/68/542793868.db2.gz MKYYUHNWEZNMTI-NVXWUHKLSA-N 2 1 317.477 2.538 20 0 DFADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1C[NH3+] ZINC000252125952 542946573 /nfs/dbraw/zinc/94/65/73/542946573.db2.gz KAXUKGRMDGVWLR-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1C[NH3+] ZINC000252125952 542946578 /nfs/dbraw/zinc/94/65/78/542946578.db2.gz KAXUKGRMDGVWLR-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2ccc(F)cc21 ZINC000268896387 542961692 /nfs/dbraw/zinc/96/16/92/542961692.db2.gz KFIGENIRJABTKZ-FUHWJXTLSA-N 2 1 306.425 2.640 20 0 DFADMP [NH3+]C[C@@H](C[NH+]1CCN(c2ccccc2)CC1)c1ccc(F)cc1 ZINC000424303673 296500402 /nfs/dbraw/zinc/50/04/02/296500402.db2.gz OPFQGLBWQFAILF-KRWDZBQOSA-N 2 1 313.420 2.690 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444799 542982268 /nfs/dbraw/zinc/98/22/68/542982268.db2.gz HUYOHVUEWMIQKR-RDTXWAMCSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccc(F)cc32)CCCO1 ZINC000278444799 542982272 /nfs/dbraw/zinc/98/22/72/542982272.db2.gz HUYOHVUEWMIQKR-RDTXWAMCSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000424381052 296506078 /nfs/dbraw/zinc/50/60/78/296506078.db2.gz YCOMAYLULLVGFN-BMGDILEWSA-N 3 1 305.466 2.548 20 0 DFADMP CSc1ccc(OCC[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292162945 543015312 /nfs/dbraw/zinc/01/53/12/543015312.db2.gz OUVGHFAQWYKHQR-KRWDZBQOSA-N 2 1 306.475 2.815 20 0 DFADMP CSc1ccc(OCC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000292162945 543015316 /nfs/dbraw/zinc/01/53/16/543015316.db2.gz OUVGHFAQWYKHQR-KRWDZBQOSA-N 2 1 306.475 2.815 20 0 DFADMP CSc1ccc(OCC[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292162945 543015320 /nfs/dbraw/zinc/01/53/20/543015320.db2.gz OUVGHFAQWYKHQR-KRWDZBQOSA-N 2 1 306.475 2.815 20 0 DFADMP CSc1ccc(OCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292162945 543015324 /nfs/dbraw/zinc/01/53/24/543015324.db2.gz OUVGHFAQWYKHQR-KRWDZBQOSA-N 2 1 306.475 2.815 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CCC[N@@H+](C)C2)o1 ZINC000604346476 399840168 /nfs/dbraw/zinc/84/01/68/399840168.db2.gz QAMOEVIKYXYRGE-HNNXBMFYSA-N 2 1 321.465 2.535 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309754142 543065290 /nfs/dbraw/zinc/06/52/90/543065290.db2.gz WRFPMLSSJZKESJ-IPMKNSEASA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000309754142 543065292 /nfs/dbraw/zinc/06/52/92/543065292.db2.gz WRFPMLSSJZKESJ-IPMKNSEASA-N 3 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000309754142 543065296 /nfs/dbraw/zinc/06/52/96/543065296.db2.gz WRFPMLSSJZKESJ-IPMKNSEASA-N 3 1 301.478 2.758 20 0 DFADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319721115 543080595 /nfs/dbraw/zinc/08/05/95/543080595.db2.gz MLAMPHMENBSZEE-ZWJWXYIHSA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319721115 543080597 /nfs/dbraw/zinc/08/05/97/543080597.db2.gz MLAMPHMENBSZEE-ZWJWXYIHSA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H]2[C@@H]2CCCC[C@H]2O)C1 ZINC000319721115 543080599 /nfs/dbraw/zinc/08/05/99/543080599.db2.gz MLAMPHMENBSZEE-ZWJWXYIHSA-N 2 1 308.510 2.980 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1cccc(F)c1 ZINC000321266068 543085492 /nfs/dbraw/zinc/08/54/92/543085492.db2.gz GNKCKVZIOXPIEK-YOEHRIQHSA-N 2 1 319.424 2.618 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000322151122 543088615 /nfs/dbraw/zinc/08/86/15/543088615.db2.gz ZCLXOXOBEUCOSH-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000604418272 399845774 /nfs/dbraw/zinc/84/57/74/399845774.db2.gz OWUYXKGBAQMJNF-YJBOKZPZSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2C)[C@@H](C)C1 ZINC000604418272 399845775 /nfs/dbraw/zinc/84/57/75/399845775.db2.gz OWUYXKGBAQMJNF-YJBOKZPZSA-N 2 1 305.466 2.617 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000339268952 543142845 /nfs/dbraw/zinc/14/28/45/543142845.db2.gz HHCADQWRVJBXFQ-QGZVFWFLSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000339268952 543142847 /nfs/dbraw/zinc/14/28/47/543142847.db2.gz HHCADQWRVJBXFQ-QGZVFWFLSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCC(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000339268952 543142849 /nfs/dbraw/zinc/14/28/49/543142849.db2.gz HHCADQWRVJBXFQ-QGZVFWFLSA-N 2 1 323.525 2.974 20 0 DFADMP c1ccc(CCOCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339070200 543140537 /nfs/dbraw/zinc/14/05/37/543140537.db2.gz ZKGXFBCVNYCIGR-OALUTQOASA-N 2 1 302.462 2.852 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000339234694 543141842 /nfs/dbraw/zinc/14/18/42/543141842.db2.gz UVHGBRURJWXRIV-HUUCEWRRSA-N 2 1 323.506 2.732 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000339238475 543142037 /nfs/dbraw/zinc/14/20/37/543142037.db2.gz NIHWRXOIFNVMIX-QGZVFWFLSA-N 2 1 309.498 2.633 20 0 DFADMP CC[C@H](C(=O)N[C@H](C)C[NH+](CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000353415567 543235391 /nfs/dbraw/zinc/23/53/91/543235391.db2.gz KRVVZALZJHARPZ-SJLPKXTDSA-N 2 1 319.493 2.744 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000380907735 543297496 /nfs/dbraw/zinc/29/74/96/543297496.db2.gz IDWQLYDOQNFQMC-AEFFLSMTSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1)c1ccnn1C ZINC000380907735 543297497 /nfs/dbraw/zinc/29/74/97/543297497.db2.gz IDWQLYDOQNFQMC-AEFFLSMTSA-N 2 1 312.461 2.983 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125052581 145205805 /nfs/dbraw/zinc/20/58/05/145205805.db2.gz FDKWQEODLBPGFT-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC[N@@H+]1C ZINC000165352335 145230057 /nfs/dbraw/zinc/23/00/57/145230057.db2.gz VWJRXPIZNKBQID-DNVCBOLYSA-N 2 1 319.468 2.862 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC[N@H+]1C ZINC000165352335 145230061 /nfs/dbraw/zinc/23/00/61/145230061.db2.gz VWJRXPIZNKBQID-DNVCBOLYSA-N 2 1 319.468 2.862 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000171389018 145264027 /nfs/dbraw/zinc/26/40/27/145264027.db2.gz QJHNBAQUYAZXES-UHFFFAOYSA-N 2 1 315.461 2.741 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000414791986 543327244 /nfs/dbraw/zinc/32/72/44/543327244.db2.gz BSRVYOYZWCCOJG-AWEZNQCLSA-N 2 1 320.234 2.824 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)F)C2)C[C@H]1c1ccccc1 ZINC000417378306 543335310 /nfs/dbraw/zinc/33/53/10/543335310.db2.gz FBULWQUGHVWGBJ-ULQDDVLXSA-N 2 1 323.431 2.751 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)F)C2)C[C@H]1c1ccccc1 ZINC000417378306 543335312 /nfs/dbraw/zinc/33/53/12/543335312.db2.gz FBULWQUGHVWGBJ-ULQDDVLXSA-N 2 1 323.431 2.751 20 0 DFADMP [NH3+]C[C@H]1CC[C@H](Nc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000630513689 399897271 /nfs/dbraw/zinc/89/72/71/399897271.db2.gz FSAADFMQEKHLOJ-BBRMVZONSA-N 2 1 309.417 2.536 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CN1c1cc[nH+]c2cc(Br)ccc21 ZINC000630559101 399903129 /nfs/dbraw/zinc/90/31/29/399903129.db2.gz OVAAJZAENNOLTP-ONGXEEELSA-N 2 1 306.207 2.923 20 0 DFADMP COc1ccccc1N1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000631107455 399982130 /nfs/dbraw/zinc/98/21/30/399982130.db2.gz AXVJYRHNSQNSQK-UHFFFAOYSA-N 2 1 315.461 2.516 20 0 DFADMP O=c1ccc(C[NH2+]C[C@H]2CCC[N@H+](Cc3cccs3)C2)c[nH]1 ZINC000631056055 399970929 /nfs/dbraw/zinc/97/09/29/399970929.db2.gz DDZGWORLDLYWLB-OAHLLOKOSA-N 2 1 317.458 2.851 20 0 DFADMP O=c1ccc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3cccs3)C2)c[nH]1 ZINC000631056055 399970932 /nfs/dbraw/zinc/97/09/32/399970932.db2.gz DDZGWORLDLYWLB-OAHLLOKOSA-N 2 1 317.458 2.851 20 0 DFADMP Cn1nc2c(c1C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)CCCC2 ZINC000631075122 399975248 /nfs/dbraw/zinc/97/52/48/399975248.db2.gz MRZJTUAURYUJIM-KRWDZBQOSA-N 2 1 306.498 2.755 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631098080 399980199 /nfs/dbraw/zinc/98/01/99/399980199.db2.gz JVWMJTKQOICQRO-INIZCTEOSA-N 2 1 318.509 2.757 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631098080 399980201 /nfs/dbraw/zinc/98/02/01/399980201.db2.gz JVWMJTKQOICQRO-INIZCTEOSA-N 2 1 318.509 2.757 20 0 DFADMP CC[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+](CC)CC ZINC000628545448 400039947 /nfs/dbraw/zinc/03/99/47/400039947.db2.gz POJRRZIIKWHXGD-SJORKVTESA-N 2 1 309.498 2.630 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC1 ZINC000631141749 399988917 /nfs/dbraw/zinc/98/89/17/399988917.db2.gz WOQTTWYEKKOOJL-MRXNPFEDSA-N 2 1 319.493 2.982 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000631141749 399988918 /nfs/dbraw/zinc/98/89/18/399988918.db2.gz WOQTTWYEKKOOJL-MRXNPFEDSA-N 2 1 319.493 2.982 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1ccncc1Br)C1CC1 ZINC000631154500 399991683 /nfs/dbraw/zinc/99/16/83/399991683.db2.gz CBGDSXLQDUVLDJ-UHFFFAOYSA-N 2 1 312.255 2.808 20 0 DFADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000631177946 399997098 /nfs/dbraw/zinc/99/70/98/399997098.db2.gz CHXJTBNWXNFHIJ-MRXNPFEDSA-N 2 1 303.450 2.610 20 0 DFADMP COc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000631177946 399997099 /nfs/dbraw/zinc/99/70/99/399997099.db2.gz CHXJTBNWXNFHIJ-MRXNPFEDSA-N 2 1 303.450 2.610 20 0 DFADMP CCC[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000631199719 400001795 /nfs/dbraw/zinc/00/17/95/400001795.db2.gz QZDKGDNWUSADEN-GOSISDBHSA-N 2 1 304.478 2.834 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)F)CC[N@@H+]1Cc1ccccc1 ZINC000631215974 400005960 /nfs/dbraw/zinc/00/59/60/400005960.db2.gz IMSSMJBTUHLEQD-BMFZPTHFSA-N 2 1 312.404 2.645 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@H](O)C(F)F)CC[N@H+]1Cc1ccccc1 ZINC000631215974 400005962 /nfs/dbraw/zinc/00/59/62/400005962.db2.gz IMSSMJBTUHLEQD-BMFZPTHFSA-N 2 1 312.404 2.645 20 0 DFADMP Cc1ncc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)o1 ZINC000628254316 400009089 /nfs/dbraw/zinc/00/90/89/400009089.db2.gz WHYMLHHMXBISKY-UHFFFAOYSA-N 2 1 300.406 2.895 20 0 DFADMP Cc1ccc([C@H](C)C[NH+]2CCC([N@H+]3CC[C@@H](O)C3)CC2)cc1 ZINC000628352123 400025058 /nfs/dbraw/zinc/02/50/58/400025058.db2.gz XTCSJFJUNFOOFI-VQIMIIECSA-N 2 1 302.462 2.630 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000631566135 400051998 /nfs/dbraw/zinc/05/19/98/400051998.db2.gz LQYCFQYJOHRDAV-RHSMWYFYSA-N 2 1 316.445 2.983 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@H](C2CCC2)[C@@H]2CCCO2)CC1 ZINC000631581013 400054396 /nfs/dbraw/zinc/05/43/96/400054396.db2.gz DSWQMHIGVBICFI-GBESFXJTSA-N 2 1 322.493 2.567 20 0 DFADMP C[C@H](CCc1c[nH]c2ccccc12)[NH2+]C1CC[NH+](CCO)CC1 ZINC000631610002 400057954 /nfs/dbraw/zinc/05/79/54/400057954.db2.gz OAVJZPJJYXCWLN-OAHLLOKOSA-N 2 1 315.461 2.535 20 0 DFADMP CC[C@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OC)c1OC ZINC000631623030 400059190 /nfs/dbraw/zinc/05/91/90/400059190.db2.gz VJWIWBIYRIVVSW-HNNXBMFYSA-N 2 1 303.406 2.721 20 0 DFADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[N@@H+](C3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631646445 400061525 /nfs/dbraw/zinc/06/15/25/400061525.db2.gz LVGIOHXMXDPYIG-SPUZQDLCSA-N 2 1 304.478 2.941 20 0 DFADMP C1CC2(C1)[C@H]([NH2+][C@@H]1CC[N@H+](C3CCCCC3)C1)[C@@H]1CCO[C@@H]12 ZINC000631646445 400061527 /nfs/dbraw/zinc/06/15/27/400061527.db2.gz LVGIOHXMXDPYIG-SPUZQDLCSA-N 2 1 304.478 2.941 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000631655714 400062773 /nfs/dbraw/zinc/06/27/73/400062773.db2.gz WNPDFAMKCRACET-AADNMHCOSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000631655714 400062774 /nfs/dbraw/zinc/06/27/74/400062774.db2.gz WNPDFAMKCRACET-AADNMHCOSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000631662954 400063639 /nfs/dbraw/zinc/06/36/39/400063639.db2.gz GVTZSXBYMZSYSC-RYRKJORJSA-N 2 1 312.461 2.839 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)c1ccnn1C ZINC000631662954 400063641 /nfs/dbraw/zinc/06/36/41/400063641.db2.gz GVTZSXBYMZSYSC-RYRKJORJSA-N 2 1 312.461 2.839 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCOC[C@H]1C ZINC000631665359 400063905 /nfs/dbraw/zinc/06/39/05/400063905.db2.gz WMAPBIMFHDMCLG-FPAYPSAMSA-N 2 1 302.462 2.769 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000631669667 400064685 /nfs/dbraw/zinc/06/46/85/400064685.db2.gz JGYNCLVJVAUWGX-CENDIDJXSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCO[C@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000631733331 400070898 /nfs/dbraw/zinc/07/08/98/400070898.db2.gz BOFLBNQNGHYYBB-SIUPPRGNSA-N 2 1 306.425 2.976 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000631821575 400077545 /nfs/dbraw/zinc/07/75/45/400077545.db2.gz CDTPMVYISHWLAQ-BFYDXBDKSA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000631821575 400077546 /nfs/dbraw/zinc/07/75/46/400077546.db2.gz CDTPMVYISHWLAQ-BFYDXBDKSA-N 2 1 305.466 2.558 20 0 DFADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)co2)c1 ZINC000631823815 400077705 /nfs/dbraw/zinc/07/77/05/400077705.db2.gz OKQPUQILJFXFOK-IAOVAPTHSA-N 2 1 313.401 2.519 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)co2)c1 ZINC000631823815 400077706 /nfs/dbraw/zinc/07/77/06/400077706.db2.gz OKQPUQILJFXFOK-IAOVAPTHSA-N 2 1 313.401 2.519 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CCC(F)(F)C3)C2)C1 ZINC000631828888 400078163 /nfs/dbraw/zinc/07/81/63/400078163.db2.gz AVZNEYGAVFXZES-TUVASFSCSA-N 2 1 302.409 2.640 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@@H+]3C[C@H](C)[C@H](C[NH3+])C3)n2)ccc1F ZINC000631841277 400078835 /nfs/dbraw/zinc/07/88/35/400078835.db2.gz IQTUCZHUNKPXEA-SGMGOOAPSA-N 2 1 318.396 2.772 20 0 DFADMP Cc1cc(-c2noc([C@H](C)[N@H+]3C[C@H](C)[C@H](C[NH3+])C3)n2)ccc1F ZINC000631841277 400078836 /nfs/dbraw/zinc/07/88/36/400078836.db2.gz IQTUCZHUNKPXEA-SGMGOOAPSA-N 2 1 318.396 2.772 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C[C@H]1C[NH3+] ZINC000631839375 400079006 /nfs/dbraw/zinc/07/90/06/400079006.db2.gz FRFFGFJNIYDJKX-MAUKXSAKSA-N 2 1 311.429 2.687 20 0 DFADMP CC[C@@H]1C[NH+]([C@H](C)CC[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439477930 543353443 /nfs/dbraw/zinc/35/34/43/543353443.db2.gz WDQKAROZHNYIHI-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H](C)[N@@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439477930 543353447 /nfs/dbraw/zinc/35/34/47/543353447.db2.gz WDQKAROZHNYIHI-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H](C)[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000439477930 543353450 /nfs/dbraw/zinc/35/34/50/543353450.db2.gz WDQKAROZHNYIHI-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@@H](C)[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439477929 543353469 /nfs/dbraw/zinc/35/34/69/543353469.db2.gz WDQKAROZHNYIHI-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H](C)[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439477929 543353474 /nfs/dbraw/zinc/35/34/74/543353474.db2.gz WDQKAROZHNYIHI-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H](C)[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439477929 543353475 /nfs/dbraw/zinc/35/34/75/543353475.db2.gz WDQKAROZHNYIHI-KURKYZTESA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CCNC(=O)[C@@]1(C)CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000237458533 146043800 /nfs/dbraw/zinc/04/38/00/146043800.db2.gz QTRLXFDEVLUOJD-VQIMIIECSA-N 2 1 317.477 2.545 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCOC1CCCCCC1 ZINC000441259435 543354897 /nfs/dbraw/zinc/35/48/97/543354897.db2.gz DOWYRFGEMXNVHD-NEWSRXKRSA-N 2 1 324.509 2.909 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245412336 146066851 /nfs/dbraw/zinc/06/68/51/146066851.db2.gz AKDUIXMUIRCLOA-PKOBYXMFSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245412336 146066853 /nfs/dbraw/zinc/06/68/53/146066853.db2.gz AKDUIXMUIRCLOA-PKOBYXMFSA-N 2 1 301.478 2.850 20 0 DFADMP CC[C@H](O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245663216 146091563 /nfs/dbraw/zinc/09/15/63/146091563.db2.gz GEZZYKZWBUGRKO-RDGPPVDQSA-N 2 1 302.462 2.933 20 0 DFADMP OC[C@H]1C=C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245721918 146096173 /nfs/dbraw/zinc/09/61/73/146096173.db2.gz OXLFWRLEGYHBGL-YHDCXSKOSA-N 2 1 312.457 2.709 20 0 DFADMP CCC[C@@H](O)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245710386 146096825 /nfs/dbraw/zinc/09/68/25/146096825.db2.gz NDHVIYILBLJWHH-FCGDIQPGSA-N 2 1 302.462 2.933 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245731236 146098562 /nfs/dbraw/zinc/09/85/62/146098562.db2.gz QGKRXWPERKMZBT-YRPNKDGESA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245731236 146098566 /nfs/dbraw/zinc/09/85/66/146098566.db2.gz QGKRXWPERKMZBT-YRPNKDGESA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245731236 146098569 /nfs/dbraw/zinc/09/85/69/146098569.db2.gz QGKRXWPERKMZBT-YRPNKDGESA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245731236 146098572 /nfs/dbraw/zinc/09/85/72/146098572.db2.gz QGKRXWPERKMZBT-YRPNKDGESA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245731236 146098576 /nfs/dbraw/zinc/09/85/76/146098576.db2.gz QGKRXWPERKMZBT-YRPNKDGESA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000245745786 146099900 /nfs/dbraw/zinc/09/99/00/146099900.db2.gz MRYSHNDXXNEZOT-RVKKMQEKSA-N 2 1 320.477 2.928 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2NC(C)=O)[C@@H](C)C1 ZINC000245757779 146100894 /nfs/dbraw/zinc/10/08/94/146100894.db2.gz OYUDPFXJGMTXPX-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccccc2NC(C)=O)[C@@H](C)C1 ZINC000245757779 146100898 /nfs/dbraw/zinc/10/08/98/146100898.db2.gz OYUDPFXJGMTXPX-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccccc2NC(C)=O)[C@@H](C)C1 ZINC000245757779 146100902 /nfs/dbraw/zinc/10/09/02/146100902.db2.gz OYUDPFXJGMTXPX-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccccc2NC(C)=O)[C@@H](C)C1 ZINC000245757779 146100905 /nfs/dbraw/zinc/10/09/05/146100905.db2.gz OYUDPFXJGMTXPX-KBXCAEBGSA-N 2 1 303.450 2.807 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2nc3cccc(F)c3n2C)C1 ZINC000443510183 543357604 /nfs/dbraw/zinc/35/76/04/543357604.db2.gz OYJBVTSOAHWLFW-ZDUSSCGKSA-N 2 1 304.413 2.881 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246204514 146130220 /nfs/dbraw/zinc/13/02/20/146130220.db2.gz MBGOBTDFQSKVCM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246204514 146130223 /nfs/dbraw/zinc/13/02/23/146130223.db2.gz MBGOBTDFQSKVCM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246204514 146130225 /nfs/dbraw/zinc/13/02/25/146130225.db2.gz MBGOBTDFQSKVCM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246204514 146130227 /nfs/dbraw/zinc/13/02/27/146130227.db2.gz MBGOBTDFQSKVCM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000247363963 146167785 /nfs/dbraw/zinc/16/77/85/146167785.db2.gz MTQUGIPSIXHTBX-BRWVUGGUSA-N 2 1 321.509 2.725 20 0 DFADMP COc1cccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c1 ZINC000247371376 146168186 /nfs/dbraw/zinc/16/81/86/146168186.db2.gz RXORZUQGMLUISJ-RDJZCZTQSA-N 2 1 306.450 2.583 20 0 DFADMP C[C@H](C[S@@](C)=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000248876858 146172501 /nfs/dbraw/zinc/17/25/01/146172501.db2.gz JPPYYWLFSBXTNR-RMZWBFLNSA-N 2 1 320.502 2.539 20 0 DFADMP C[C@H](C[S@@](C)=O)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000248876858 146172502 /nfs/dbraw/zinc/17/25/02/146172502.db2.gz JPPYYWLFSBXTNR-RMZWBFLNSA-N 2 1 320.502 2.539 20 0 DFADMP O[C@H](CC1CCCC1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000249153829 146190145 /nfs/dbraw/zinc/19/01/45/146190145.db2.gz YFYOXKMJNLLNLJ-UHOSZYNNSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000249153829 146190151 /nfs/dbraw/zinc/19/01/51/146190151.db2.gz YFYOXKMJNLLNLJ-UHOSZYNNSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@H](CC1CCCC1)C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000249153829 146190155 /nfs/dbraw/zinc/19/01/55/146190155.db2.gz YFYOXKMJNLLNLJ-UHOSZYNNSA-N 2 1 306.494 2.876 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453208199 543371593 /nfs/dbraw/zinc/37/15/93/543371593.db2.gz AQWKTCSZNLWYAU-AQNXPRMDSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453208199 543371597 /nfs/dbraw/zinc/37/15/97/543371597.db2.gz AQWKTCSZNLWYAU-AQNXPRMDSA-N 2 1 324.472 2.953 20 0 DFADMP OCCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000250095557 146210117 /nfs/dbraw/zinc/21/01/17/146210117.db2.gz QSOUVRMGXCVXPX-CEXWTWQISA-N 2 1 314.473 2.649 20 0 DFADMP CC[NH+](C/C=C\C[N@H+](CC)C[C@H]1CCCO1)C[C@@H]1CCCO1 ZINC000255888547 146234967 /nfs/dbraw/zinc/23/49/67/146234967.db2.gz OTQQIHSDVNGQOU-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CC[NH+](C/C=C\C[N@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000255888547 146234969 /nfs/dbraw/zinc/23/49/69/146234969.db2.gz OTQQIHSDVNGQOU-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP CC[NH+](C/C=C\C[N@@H+](CC)C[C@@H]1CCCO1)C[C@H]1CCCO1 ZINC000255888547 146234974 /nfs/dbraw/zinc/23/49/74/146234974.db2.gz OTQQIHSDVNGQOU-SPCWZHTESA-N 2 1 310.482 2.544 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545459 146239522 /nfs/dbraw/zinc/23/95/22/146239522.db2.gz KAULMUCOKZAHJD-WDSOQIARSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261545459 146239527 /nfs/dbraw/zinc/23/95/27/146239527.db2.gz KAULMUCOKZAHJD-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](N[C@H]1CCC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261545459 146239529 /nfs/dbraw/zinc/23/95/29/146239529.db2.gz KAULMUCOKZAHJD-WDSOQIARSA-N 2 1 301.478 2.629 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC(C)(C)[NH3+])cc1Br ZINC000261547819 146239779 /nfs/dbraw/zinc/23/97/79/146239779.db2.gz IPUWUHVHEVQAEL-SECBINFHSA-N 2 1 301.228 2.846 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000261564369 146241168 /nfs/dbraw/zinc/24/11/68/146241168.db2.gz HHSCCAOVJKZAAF-LNSITVRQSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(Br)c1 ZINC000261564369 146241171 /nfs/dbraw/zinc/24/11/71/146241171.db2.gz HHSCCAOVJKZAAF-LNSITVRQSA-N 2 1 309.251 2.927 20 0 DFADMP CCC1(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)CCOCC1 ZINC000261603208 146245186 /nfs/dbraw/zinc/24/51/86/146245186.db2.gz AOPLZSLMOXDIAD-MSOLQXFVSA-N 2 1 302.462 2.868 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]12 ZINC000261688856 146259664 /nfs/dbraw/zinc/25/96/64/146259664.db2.gz NFOAAQGYRHLRLR-RAIGVLPGSA-N 2 1 300.324 2.754 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3OC(F)(F)F)C[C@@H]12 ZINC000261688856 146259666 /nfs/dbraw/zinc/25/96/66/146259666.db2.gz NFOAAQGYRHLRLR-RAIGVLPGSA-N 2 1 300.324 2.754 20 0 DFADMP CC(C)([NH3+])CN1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000261764493 146271800 /nfs/dbraw/zinc/27/18/00/146271800.db2.gz DGYRCZCGLNZFLI-LJQANCHMSA-N 2 1 301.478 2.712 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261800243 146279076 /nfs/dbraw/zinc/27/90/76/146279076.db2.gz VTBFDONPHXXTAH-OGHNNQOOSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+]1CC[C@](C)(C[NH3+])C1 ZINC000261800243 146279081 /nfs/dbraw/zinc/27/90/81/146279081.db2.gz VTBFDONPHXXTAH-OGHNNQOOSA-N 2 1 323.868 2.576 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000261819800 146283502 /nfs/dbraw/zinc/28/35/02/146283502.db2.gz AQPSXYUFJBGJSP-LBPRGKRZSA-N 2 1 320.824 2.951 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000261819407 146283536 /nfs/dbraw/zinc/28/35/36/146283536.db2.gz XQXJZXNLANSXMR-LJQANCHMSA-N 2 1 311.429 2.831 20 0 DFADMP CC(C)c1csc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)n1 ZINC000261862768 146290753 /nfs/dbraw/zinc/29/07/53/146290753.db2.gz CIMNZXNYTBYVSV-MGPQQGTHSA-N 2 1 309.479 2.513 20 0 DFADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000261900434 146297433 /nfs/dbraw/zinc/29/74/33/146297433.db2.gz HOSDOQNHXHCEIG-OTWHNJEPSA-N 2 1 302.462 2.593 20 0 DFADMP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000261895483 146297663 /nfs/dbraw/zinc/29/76/63/146297663.db2.gz XXMNZGLWTIIPSD-HIFRSBDPSA-N 2 1 300.406 2.557 20 0 DFADMP C[NH2+][C@H](C)Cc1noc([C@@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000261895483 146297664 /nfs/dbraw/zinc/29/76/64/146297664.db2.gz XXMNZGLWTIIPSD-HIFRSBDPSA-N 2 1 300.406 2.557 20 0 DFADMP C[C@@]1(C[NH+]2CCC(C(=O)c3ccc(F)cc3)CC2)CC[NH2+]C1 ZINC000261900376 146298146 /nfs/dbraw/zinc/29/81/46/146298146.db2.gz VWTOIXKRGKFHDJ-GOSISDBHSA-N 2 1 304.409 2.720 20 0 DFADMP CC(C)C[N@@H+](C[C@H](O)c1ccc(F)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261912102 146300138 /nfs/dbraw/zinc/30/01/38/146300138.db2.gz YMLYGPXHGVQMBR-ROUUACIJSA-N 2 1 308.441 2.817 20 0 DFADMP C[C@]1(CN2CC[N@@H+](Cc3ccccc3)C(C)(C)C2)CC[NH2+]C1 ZINC000261911247 146300750 /nfs/dbraw/zinc/30/07/50/146300750.db2.gz YHFHZLHHOKVALY-IBGZPJMESA-N 2 1 301.478 2.582 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2cnn(C)c2)c1 ZINC000261925866 146302504 /nfs/dbraw/zinc/30/25/04/146302504.db2.gz LAQLLHGVMCTSBT-RYGJVYDSSA-N 2 1 324.472 2.955 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000261931586 146304201 /nfs/dbraw/zinc/30/42/01/146304201.db2.gz JUJFXNDEBFQDFD-NSHDSACASA-N 2 1 320.824 2.550 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000261931586 146304205 /nfs/dbraw/zinc/30/42/05/146304205.db2.gz JUJFXNDEBFQDFD-NSHDSACASA-N 2 1 320.824 2.550 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000261950905 146308331 /nfs/dbraw/zinc/30/83/31/146308331.db2.gz MXCTYGXOBSZMFD-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)C1 ZINC000261950905 146308332 /nfs/dbraw/zinc/30/83/32/146308332.db2.gz MXCTYGXOBSZMFD-ZDUSSCGKSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@]1(C[N@@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261954926 146308758 /nfs/dbraw/zinc/30/87/58/146308758.db2.gz GOUYMOYUXJIWNI-QAPCUYQASA-N 2 1 304.409 2.720 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H](C(=O)c3ccc(F)cc3)C2)CC[NH2+]C1 ZINC000261954926 146308763 /nfs/dbraw/zinc/30/87/63/146308763.db2.gz GOUYMOYUXJIWNI-QAPCUYQASA-N 2 1 304.409 2.720 20 0 DFADMP CC[C@@H]1CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261954902 146309150 /nfs/dbraw/zinc/30/91/50/146309150.db2.gz OLOLVOMQUFAIRX-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000261958675 146310076 /nfs/dbraw/zinc/31/00/76/146310076.db2.gz OYHDNSFKCLESRG-LBPRGKRZSA-N 2 1 310.825 2.687 20 0 DFADMP c1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000261964577 146311918 /nfs/dbraw/zinc/31/19/18/146311918.db2.gz PZEWVEVBJBGODS-ADXGEFSYSA-N 2 1 300.446 2.679 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980811 146314940 /nfs/dbraw/zinc/31/49/40/146314940.db2.gz RHFQXEITOGOAOB-KBPBESRZSA-N 2 1 323.868 2.578 20 0 DFADMP c1ccc(CC[N@@H+](Cc2cccnc2)C[C@@H]2CCC[NH2+]C2)nc1 ZINC000261999594 146318727 /nfs/dbraw/zinc/31/87/27/146318727.db2.gz UAMXZLZLJORXBZ-GOSISDBHSA-N 2 1 310.445 2.521 20 0 DFADMP c1ccc(CC[N@H+](Cc2cccnc2)C[C@@H]2CCC[NH2+]C2)nc1 ZINC000261999594 146318728 /nfs/dbraw/zinc/31/87/28/146318728.db2.gz UAMXZLZLJORXBZ-GOSISDBHSA-N 2 1 310.445 2.521 20 0 DFADMP Clc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261993973 146318775 /nfs/dbraw/zinc/31/87/75/146318775.db2.gz TUJSSDGJAZNWHO-BBWFWOEESA-N 2 1 308.853 2.629 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262005114 146320511 /nfs/dbraw/zinc/32/05/11/146320511.db2.gz UMPKNEJKADJVOO-RYQLBKOJSA-N 2 1 310.445 2.740 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)C1(CC)CC ZINC000262043524 146326270 /nfs/dbraw/zinc/32/62/70/146326270.db2.gz YUZNOSDUJUWKIZ-FLXSYLCISA-N 2 1 324.509 2.717 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052675 146326943 /nfs/dbraw/zinc/32/69/43/146326943.db2.gz ZTXLJFSFASGOTE-HOTGVXAUSA-N 2 1 312.461 2.955 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262109057 146334417 /nfs/dbraw/zinc/33/44/17/146334417.db2.gz JPXFHTGGTBOALP-AEGPPILISA-N 2 1 321.852 2.646 20 0 DFADMP Cc1cc(Cl)ccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262109057 146334418 /nfs/dbraw/zinc/33/44/18/146334418.db2.gz JPXFHTGGTBOALP-AEGPPILISA-N 2 1 321.852 2.646 20 0 DFADMP CC[N@@H+](CC1CCN(c2ccccn2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262115829 146335335 /nfs/dbraw/zinc/33/53/35/146335335.db2.gz WXPYEHZRKOSKKJ-IBGZPJMESA-N 2 1 316.493 2.620 20 0 DFADMP c1cc(CC[NH+]2CCC([NH2+]CC3CC3)CC2)cc2c1OCC2 ZINC000262350330 146353855 /nfs/dbraw/zinc/35/38/55/146353855.db2.gz VELHGGQAESMXNO-UHFFFAOYSA-N 2 1 300.446 2.628 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000459515647 543393539 /nfs/dbraw/zinc/39/35/39/543393539.db2.gz PMLXFCNFKJVCDT-HNNXBMFYSA-N 2 1 305.447 2.518 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1 ZINC000262560881 146371308 /nfs/dbraw/zinc/37/13/08/146371308.db2.gz VLLFYPTWBQUWIB-QGTPRVQTSA-N 2 1 304.434 2.523 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2scnc2C2CC2)C[C@H](C)O1 ZINC000486940866 543400247 /nfs/dbraw/zinc/40/02/47/543400247.db2.gz PPBLCTLYMJFXBM-OKILXGFUSA-N 2 1 323.506 3.000 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CCN(CCOC2CCCCCC2)CC1 ZINC000354387271 147017182 /nfs/dbraw/zinc/01/71/82/147017182.db2.gz KARQFXMPJMXTNC-MRXNPFEDSA-N 2 1 312.498 2.503 20 0 DFADMP C[NH+](C)CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000354390191 147018814 /nfs/dbraw/zinc/01/88/14/147018814.db2.gz PHCBJUFYRQKQKI-UHFFFAOYSA-N 2 1 309.841 2.552 20 0 DFADMP CCOC[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000354421674 147029519 /nfs/dbraw/zinc/02/95/19/147029519.db2.gz RZWIWMROUYFVQJ-AEFFLSMTSA-N 2 1 312.498 2.671 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000354706713 147121416 /nfs/dbraw/zinc/12/14/16/147121416.db2.gz BOIYYCSSHSSCKK-YESZJQIVSA-N 2 1 323.525 2.734 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000354924282 147197586 /nfs/dbraw/zinc/19/75/86/147197586.db2.gz WOPWNEKLDWXGSZ-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@H]1C[C@@H]1c1ccccc1 ZINC000355218363 147226730 /nfs/dbraw/zinc/22/67/30/147226730.db2.gz HSXNRLPNUUETLU-WAPOTWQKSA-N 2 1 314.473 2.974 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@H](Cc3nccn3C)C2)c1C ZINC000355365351 147284706 /nfs/dbraw/zinc/28/47/06/147284706.db2.gz MEXZHEBAGCHNHJ-MRXNPFEDSA-N 2 1 315.465 2.708 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000357091224 147857649 /nfs/dbraw/zinc/85/76/49/147857649.db2.gz WCTOQFUQNVYYHG-KRWDZBQOSA-N 2 1 315.461 2.563 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@]2(C)CCCC[NH2+]2)C1 ZINC000357787213 148122698 /nfs/dbraw/zinc/12/26/98/148122698.db2.gz GKPGXPCSVBVQEB-AOIWGVFYSA-N 2 1 321.509 2.632 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2cccc(C)c2)C1 ZINC000350229305 286020120 /nfs/dbraw/zinc/02/01/20/286020120.db2.gz YQLZHKHWTKEDRU-IBGZPJMESA-N 2 1 320.477 2.807 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000358013164 148211964 /nfs/dbraw/zinc/21/19/64/148211964.db2.gz JASNKDNSSPTCMH-XJKSGUPXSA-N 2 1 323.868 2.989 20 0 DFADMP Cc1nc([C@@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cs1 ZINC000358034627 148220487 /nfs/dbraw/zinc/22/04/87/148220487.db2.gz HNLZHSBTPMDWJO-HZSPNIEDSA-N 2 1 311.495 2.992 20 0 DFADMP COc1ccc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)cc1F ZINC000425903244 296603893 /nfs/dbraw/zinc/60/38/93/296603893.db2.gz VOUQHKAQAHIUAS-UHFFFAOYSA-N 2 1 319.380 2.579 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358168956 148268780 /nfs/dbraw/zinc/26/87/80/148268780.db2.gz OLPBYULNXZBRGM-QWHCGFSZSA-N 2 1 322.403 2.904 20 0 DFADMP COCCOC[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358193214 148280071 /nfs/dbraw/zinc/28/00/71/148280071.db2.gz AQOUGPCMNOSZPQ-CABCVRRESA-N 2 1 317.433 2.883 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ncc(Cl)cc1Cl ZINC000358283640 148318825 /nfs/dbraw/zinc/31/88/25/148318825.db2.gz GLVNJPFCUIWIQX-ZWNOBZJWSA-N 2 1 318.248 2.697 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)s1 ZINC000358308790 148323049 /nfs/dbraw/zinc/32/30/49/148323049.db2.gz ZMJRASKQQPKNCC-APHBMKBZSA-N 2 1 323.506 2.788 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358315122 148326503 /nfs/dbraw/zinc/32/65/03/148326503.db2.gz GITNHLUONGBNBJ-CZUORRHYSA-N 2 1 319.474 2.945 20 0 DFADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccc(Cl)cc1 ZINC000358504506 148379826 /nfs/dbraw/zinc/37/98/26/148379826.db2.gz GYSPBUSHQPNADK-UHFFFAOYSA-N 2 1 321.852 2.744 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(OC)C2CC2)[C@@H](C)C1 ZINC000361010510 149006848 /nfs/dbraw/zinc/00/68/48/149006848.db2.gz PMEHJBANKOIQCW-RYQLBKOJSA-N 2 1 312.498 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(OC)C2CC2)[C@@H](C)C1 ZINC000361010512 149006964 /nfs/dbraw/zinc/00/69/64/149006964.db2.gz PMEHJBANKOIQCW-SZMVWBNQSA-N 2 1 312.498 2.528 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C(F)F)n1 ZINC000361117392 149032051 /nfs/dbraw/zinc/03/20/51/149032051.db2.gz JMSVDPWBZBNWPF-ZDUSSCGKSA-N 2 1 312.408 2.521 20 0 DFADMP O=C(CC[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccc(F)cc1 ZINC000361145442 149039408 /nfs/dbraw/zinc/03/94/08/149039408.db2.gz SDJQLKYWEPSLPV-BPQIPLTHSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccc(F)cc1 ZINC000361145442 149039409 /nfs/dbraw/zinc/03/94/09/149039409.db2.gz SDJQLKYWEPSLPV-BPQIPLTHSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccc(F)cc1 ZINC000361145442 149039411 /nfs/dbraw/zinc/03/94/11/149039411.db2.gz SDJQLKYWEPSLPV-BPQIPLTHSA-N 2 1 316.420 2.815 20 0 DFADMP O=C(CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccc(F)cc1 ZINC000361145442 149039413 /nfs/dbraw/zinc/03/94/13/149039413.db2.gz SDJQLKYWEPSLPV-BPQIPLTHSA-N 2 1 316.420 2.815 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](C)(O)C1CC1 ZINC000361347211 149091753 /nfs/dbraw/zinc/09/17/53/149091753.db2.gz TXMIINUZHVVKBE-ATZDWAIDSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1nc2ccccc2n1CCCCC[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000361381552 149101723 /nfs/dbraw/zinc/10/17/23/149101723.db2.gz OKXMELUMVWXSCN-HZPDHXFCSA-N 2 1 319.424 2.920 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000361667082 149186604 /nfs/dbraw/zinc/18/66/04/149186604.db2.gz MMSOBGMOLQOSPA-ARFHVFGLSA-N 2 1 320.481 2.774 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361667082 149186605 /nfs/dbraw/zinc/18/66/05/149186605.db2.gz MMSOBGMOLQOSPA-ARFHVFGLSA-N 2 1 320.481 2.774 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765718 149213196 /nfs/dbraw/zinc/21/31/96/149213196.db2.gz PYLNDERVCZWBNA-BQFCYCMXSA-N 3 1 319.493 2.760 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000361765718 149213197 /nfs/dbraw/zinc/21/31/97/149213197.db2.gz PYLNDERVCZWBNA-BQFCYCMXSA-N 3 1 319.493 2.760 20 0 DFADMP COc1cccc(NC(=[NH2+])NCC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000361804269 149224051 /nfs/dbraw/zinc/22/40/51/149224051.db2.gz PPJWCAKTUYSUBJ-LQDVMPOASA-N 2 1 302.422 2.504 20 0 DFADMP C[C@@H](CCc1ccccc1)C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000361802283 149224503 /nfs/dbraw/zinc/22/45/03/149224503.db2.gz YTVCZYLXYQVADG-KRWDZBQOSA-N 2 1 304.478 2.692 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H]2SC)[C@@H](C)C1 ZINC000361937495 149260544 /nfs/dbraw/zinc/26/05/44/149260544.db2.gz IUBDHZNIFPFROL-CAOSSQGBSA-N 2 1 300.512 2.607 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000361982525 149270213 /nfs/dbraw/zinc/27/02/13/149270213.db2.gz RAOYYSKZNWZGKE-LZQZEXGQSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000361982525 149270216 /nfs/dbraw/zinc/27/02/16/149270216.db2.gz RAOYYSKZNWZGKE-LZQZEXGQSA-N 2 1 324.472 2.767 20 0 DFADMP COc1ccc(C[NH+]2CCC3(C[C@@H]3C[N@@H+](C)C3CC3)CC2)nc1 ZINC000361988588 149271572 /nfs/dbraw/zinc/27/15/72/149271572.db2.gz XCPZLFDMFGBDEI-OAHLLOKOSA-N 2 1 315.461 2.787 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393652 149296189 /nfs/dbraw/zinc/29/61/89/149296189.db2.gz UHYHHGAMUNIFEW-OAHLLOKOSA-N 2 1 321.440 2.736 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393652 149296190 /nfs/dbraw/zinc/29/61/90/149296190.db2.gz UHYHHGAMUNIFEW-OAHLLOKOSA-N 2 1 321.440 2.736 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393652 149296192 /nfs/dbraw/zinc/29/61/92/149296192.db2.gz UHYHHGAMUNIFEW-OAHLLOKOSA-N 2 1 321.440 2.736 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc2ccc(F)cc2[nH]1 ZINC000362924795 149399283 /nfs/dbraw/zinc/39/92/83/149399283.db2.gz ACFOFAOLPVVQCM-QGZVFWFLSA-N 2 1 319.424 2.634 20 0 DFADMP CCC[N@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000351474650 286129498 /nfs/dbraw/zinc/12/94/98/286129498.db2.gz GRARDNDPWWNWHP-MJGOQNOKSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[N@@H+](C[C@H](O)C[NH+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000351474650 286129500 /nfs/dbraw/zinc/12/95/00/286129500.db2.gz GRARDNDPWWNWHP-MJGOQNOKSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@H+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000351474650 286129502 /nfs/dbraw/zinc/12/95/02/286129502.db2.gz GRARDNDPWWNWHP-MJGOQNOKSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[NH+](C[C@H](O)C[N@@H+](C)C1CC1)[C@H]1CCc2ccccc21 ZINC000351474650 286129504 /nfs/dbraw/zinc/12/95/04/286129504.db2.gz GRARDNDPWWNWHP-MJGOQNOKSA-N 2 1 302.462 2.841 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@@H]4C3)cc2)n1 ZINC000351479510 286130671 /nfs/dbraw/zinc/13/06/71/286130671.db2.gz RIZIOUGDKFODCM-QXAKKESOSA-N 2 1 310.445 2.658 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@H]12 ZINC000351482138 286131523 /nfs/dbraw/zinc/13/15/23/286131523.db2.gz ZBLNUVYASXVFID-DETPVDSQSA-N 2 1 319.355 2.789 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@H]12 ZINC000351482138 286131524 /nfs/dbraw/zinc/13/15/24/286131524.db2.gz ZBLNUVYASXVFID-DETPVDSQSA-N 2 1 319.355 2.789 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C1 ZINC000369142732 149745057 /nfs/dbraw/zinc/74/50/57/149745057.db2.gz JTSXFOSFBHPODP-ARFHVFGLSA-N 2 1 302.466 2.520 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000351545325 286148876 /nfs/dbraw/zinc/14/88/76/286148876.db2.gz OWAINOFFQPTTNI-MRXNPFEDSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(C(=O)OC(C)(C)C)CC1 ZINC000351545325 286148879 /nfs/dbraw/zinc/14/88/79/286148879.db2.gz OWAINOFFQPTTNI-MRXNPFEDSA-N 2 1 310.482 2.915 20 0 DFADMP Cc1nc(C[C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)no1 ZINC000351545327 286149360 /nfs/dbraw/zinc/14/93/60/286149360.db2.gz OWTPDHKGCIYNLX-CVEARBPZSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)no1 ZINC000351545327 286149362 /nfs/dbraw/zinc/14/93/62/286149362.db2.gz OWTPDHKGCIYNLX-CVEARBPZSA-N 2 1 306.454 2.507 20 0 DFADMP Cc1nc(C[C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)no1 ZINC000351545327 286149365 /nfs/dbraw/zinc/14/93/65/286149365.db2.gz OWTPDHKGCIYNLX-CVEARBPZSA-N 2 1 306.454 2.507 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265708 150012373 /nfs/dbraw/zinc/01/23/73/150012373.db2.gz DJSIHCPWDBPTPW-MSOLQXFVSA-N 2 1 301.478 2.707 20 0 DFADMP Fc1ccc(N2CCC[N@@H+](CCCn3ccnc3)CC2)cc1 ZINC000371477093 150053270 /nfs/dbraw/zinc/05/32/70/150053270.db2.gz ISAIOYRCMMQLAM-UHFFFAOYSA-N 2 1 302.397 2.625 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2cccn2)cc1F ZINC000371543741 150062469 /nfs/dbraw/zinc/06/24/69/150062469.db2.gz CKKHIULSJVUSCQ-CYBMUJFWSA-N 2 1 313.380 2.867 20 0 DFADMP C[NH+]1CCN(C2(C[NH2+]Cc3ccco3)CCCCCC2)CC1 ZINC000371550169 150064013 /nfs/dbraw/zinc/06/40/13/150064013.db2.gz FNCOONWSJLBEGS-UHFFFAOYSA-N 2 1 305.466 2.710 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591434 286162715 /nfs/dbraw/zinc/16/27/15/286162715.db2.gz FBGQTSQTMDJNDJ-HNAYVOBHSA-N 2 1 320.452 2.850 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591434 286162717 /nfs/dbraw/zinc/16/27/17/286162717.db2.gz FBGQTSQTMDJNDJ-HNAYVOBHSA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591434 286162720 /nfs/dbraw/zinc/16/27/20/286162720.db2.gz FBGQTSQTMDJNDJ-HNAYVOBHSA-N 2 1 320.452 2.850 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](c2ccc(F)cc2)CC1)C1CC1 ZINC000351591434 286162722 /nfs/dbraw/zinc/16/27/22/286162722.db2.gz FBGQTSQTMDJNDJ-HNAYVOBHSA-N 2 1 320.452 2.850 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCCOC1CCCC1 ZINC000371978085 150120562 /nfs/dbraw/zinc/12/05/62/150120562.db2.gz IOJJPDGKTPSECY-NZSAHSFTSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2CCc2ccccc2)CC[N@H+]1C ZINC000372060086 150130396 /nfs/dbraw/zinc/13/03/96/150130396.db2.gz OUIVEBJLMIKVFL-MISYRCLQSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2CCc2ccccc2)CC[NH+]1C ZINC000372060086 150130398 /nfs/dbraw/zinc/13/03/98/150130398.db2.gz OUIVEBJLMIKVFL-MISYRCLQSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+]2CCc2ccccc2)CC[NH+]1C ZINC000372060086 150130403 /nfs/dbraw/zinc/13/04/03/150130403.db2.gz OUIVEBJLMIKVFL-MISYRCLQSA-N 2 1 315.505 2.766 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCCC2CCOCC2)CC1 ZINC000372079471 150134192 /nfs/dbraw/zinc/13/41/92/150134192.db2.gz ZNYXAVNYFBYKKJ-UHFFFAOYSA-N 2 1 305.466 2.881 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@@H]1c1cccs1 ZINC000372098240 150136996 /nfs/dbraw/zinc/13/69/96/150136996.db2.gz HXPZTXPAAJOXBR-WMLDXEAASA-N 2 1 323.506 2.766 20 0 DFADMP C[C@@H]([NH2+]CCc1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372355313 150166431 /nfs/dbraw/zinc/16/64/31/150166431.db2.gz LOTQDJORXWGBDV-AEFFLSMTSA-N 2 1 310.445 2.519 20 0 DFADMP CCc1ccccc1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372459879 150175401 /nfs/dbraw/zinc/17/54/01/150175401.db2.gz KESUPVNLQCGNSV-HXUWFJFHSA-N 2 1 315.505 2.849 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000351604924 286166825 /nfs/dbraw/zinc/16/68/25/286166825.db2.gz GEXPZBNGFKYHLY-LPHOPBHVSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000351604924 286166827 /nfs/dbraw/zinc/16/68/27/286166827.db2.gz GEXPZBNGFKYHLY-LPHOPBHVSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000351604924 286166828 /nfs/dbraw/zinc/16/68/28/286166828.db2.gz GEXPZBNGFKYHLY-LPHOPBHVSA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000351604924 286166830 /nfs/dbraw/zinc/16/68/30/286166830.db2.gz GEXPZBNGFKYHLY-LPHOPBHVSA-N 2 1 302.462 2.548 20 0 DFADMP COC(=O)[C@H]1CC[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000351609958 286168442 /nfs/dbraw/zinc/16/84/42/286168442.db2.gz WUMKKRSSVPNHEK-KRWDZBQOSA-N 2 1 318.461 2.640 20 0 DFADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000351609958 286168443 /nfs/dbraw/zinc/16/84/43/286168443.db2.gz WUMKKRSSVPNHEK-KRWDZBQOSA-N 2 1 318.461 2.640 20 0 DFADMP COC(=O)[C@H]1CC[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000351609958 286168444 /nfs/dbraw/zinc/16/84/44/286168444.db2.gz WUMKKRSSVPNHEK-KRWDZBQOSA-N 2 1 318.461 2.640 20 0 DFADMP O=C1O[C@@H](C[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC12CC2 ZINC000373030945 150218902 /nfs/dbraw/zinc/21/89/02/150218902.db2.gz XGZAWUOWGNHZHI-DLBZAZTESA-N 2 1 320.477 2.670 20 0 DFADMP O=C1O[C@@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC12CC2 ZINC000373030945 150218904 /nfs/dbraw/zinc/21/89/04/150218904.db2.gz XGZAWUOWGNHZHI-DLBZAZTESA-N 2 1 320.477 2.670 20 0 DFADMP CCCC[C@@H](COC)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000373189596 150244028 /nfs/dbraw/zinc/24/40/28/150244028.db2.gz HZXMPANRHSOTQO-SJORKVTESA-N 2 1 320.481 2.857 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000374140538 150311416 /nfs/dbraw/zinc/31/14/16/150311416.db2.gz FDNQSQSXXAPJPJ-MSOLQXFVSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C[C@H]1c1cccc(F)c1 ZINC000374140538 150311417 /nfs/dbraw/zinc/31/14/17/150311417.db2.gz FDNQSQSXXAPJPJ-MSOLQXFVSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000374169608 150316360 /nfs/dbraw/zinc/31/63/60/150316360.db2.gz DLMWTDYFKGQPFT-KURKYZTESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@@H]1O ZINC000374169608 150316363 /nfs/dbraw/zinc/31/63/63/150316363.db2.gz DLMWTDYFKGQPFT-KURKYZTESA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374173280 150316909 /nfs/dbraw/zinc/31/69/09/150316909.db2.gz MVEGEHCMUWLQOP-DZJNRPSUSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1C[C@@H](C)CC[C@H]1O ZINC000374173280 150316911 /nfs/dbraw/zinc/31/69/11/150316911.db2.gz MVEGEHCMUWLQOP-DZJNRPSUSA-N 2 1 305.466 2.843 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374322237 150344362 /nfs/dbraw/zinc/34/43/62/150344362.db2.gz CLVAKUQSUXLERE-QUCCMNQESA-N 2 1 315.505 2.577 20 0 DFADMP CCn1ccnc1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000374319348 150344404 /nfs/dbraw/zinc/34/44/04/150344404.db2.gz XRJJOLHXOBQICS-OAHLLOKOSA-N 2 1 302.466 2.599 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374527508 150373189 /nfs/dbraw/zinc/37/31/89/150373189.db2.gz AVZYKCWDZWOPMI-LJQANCHMSA-N 2 1 313.445 2.608 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@](CO)(c2ccccc2)C1 ZINC000374527508 150373192 /nfs/dbraw/zinc/37/31/92/150373192.db2.gz AVZYKCWDZWOPMI-LJQANCHMSA-N 2 1 313.445 2.608 20 0 DFADMP Cc1sccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000351699655 286197255 /nfs/dbraw/zinc/19/72/55/286197255.db2.gz CJJARDYLIWRLMI-RHSMWYFYSA-N 2 1 307.507 2.514 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000351779658 286216780 /nfs/dbraw/zinc/21/67/80/286216780.db2.gz CFGOZUWLPKICST-IXDOHACOSA-N 2 1 309.498 2.582 20 0 DFADMP CC[C@@H](C)CCC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@H+]1CC ZINC000351805890 286222839 /nfs/dbraw/zinc/22/28/39/286222839.db2.gz DCEIUHOCQSGYGR-IAGOWNOFSA-N 2 1 311.514 2.687 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000352114299 286295616 /nfs/dbraw/zinc/29/56/16/286295616.db2.gz WKZQFGGJVAYDEW-OAHLLOKOSA-N 2 1 310.445 2.661 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000352142244 286302902 /nfs/dbraw/zinc/30/29/02/286302902.db2.gz IMQMBXWKRSPDCV-IAGOWNOFSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000352407175 286365593 /nfs/dbraw/zinc/36/55/93/286365593.db2.gz RZYNUZABEIXEQV-OAHLLOKOSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CCCc2cccc(F)c2)CC1 ZINC000352407175 286365594 /nfs/dbraw/zinc/36/55/94/286365594.db2.gz RZYNUZABEIXEQV-OAHLLOKOSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495232 286388073 /nfs/dbraw/zinc/38/80/73/286388073.db2.gz JTUBCGMMSHXGOZ-PBHICJAKSA-N 2 1 321.440 2.548 20 0 DFADMP C[C@H](c1ccc(F)cc1)N(C)C(=O)C[N@H+]1CCCC[C@H]1CC[NH3+] ZINC000352495232 286388075 /nfs/dbraw/zinc/38/80/75/286388075.db2.gz JTUBCGMMSHXGOZ-PBHICJAKSA-N 2 1 321.440 2.548 20 0 DFADMP C[C@@H](NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)c1cccs1 ZINC000352496742 286388816 /nfs/dbraw/zinc/38/88/16/286388816.db2.gz YZTBTYNYOQOUFM-CQSZACIVSA-N 2 1 323.506 2.766 20 0 DFADMP C[C@@H]1CCCC[C@@H]1NC(=O)C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352510505 286393296 /nfs/dbraw/zinc/39/32/96/286393296.db2.gz NTHSVXWLWBIVEO-WBVHZDCISA-N 2 1 309.498 2.522 20 0 DFADMP COc1cccc(CCC[NH2+]Cc2ncc(C[NH+](C)C)s2)c1 ZINC000352761337 286460317 /nfs/dbraw/zinc/46/03/17/286460317.db2.gz WEHFYUXUQRDURR-UHFFFAOYSA-N 2 1 319.474 2.936 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000182910552 158009984 /nfs/dbraw/zinc/00/99/84/158009984.db2.gz JLSONCLISSYESL-SFHVURJKSA-N 2 1 321.534 2.967 20 0 DFADMP Cc1cc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c(C)s1 ZINC000182910552 158009986 /nfs/dbraw/zinc/00/99/86/158009986.db2.gz JLSONCLISSYESL-SFHVURJKSA-N 2 1 321.534 2.967 20 0 DFADMP CC(C)Cn1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cn1 ZINC000183283108 158015444 /nfs/dbraw/zinc/01/54/44/158015444.db2.gz IHEIDIFKCGQKKI-UHFFFAOYSA-N 2 1 315.465 2.727 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192025451 158076554 /nfs/dbraw/zinc/07/65/54/158076554.db2.gz FVVFIMYIUDDHOV-GFCCVEGCSA-N 2 1 300.805 2.741 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192025451 158076558 /nfs/dbraw/zinc/07/65/58/158076558.db2.gz FVVFIMYIUDDHOV-GFCCVEGCSA-N 2 1 300.805 2.741 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000245942418 158081591 /nfs/dbraw/zinc/08/15/91/158081591.db2.gz AXRZTCGPAHOBGJ-SOUVJXGZSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000245942418 158081595 /nfs/dbraw/zinc/08/15/95/158081595.db2.gz AXRZTCGPAHOBGJ-SOUVJXGZSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000245942418 158081599 /nfs/dbraw/zinc/08/15/99/158081599.db2.gz AXRZTCGPAHOBGJ-SOUVJXGZSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000245942418 158081602 /nfs/dbraw/zinc/08/16/02/158081602.db2.gz AXRZTCGPAHOBGJ-SOUVJXGZSA-N 2 1 320.433 2.852 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC000246419371 158089640 /nfs/dbraw/zinc/08/96/40/158089640.db2.gz VLUVVYSMZUSMLK-MSOLQXFVSA-N 2 1 319.493 2.772 20 0 DFADMP CCN(CC)C(=O)[C@H](C)N1CCC[C@@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000246381910 158090069 /nfs/dbraw/zinc/09/00/69/158090069.db2.gz MYDDIRBGAMMBAF-SQNIBIBYSA-N 2 1 323.525 2.830 20 0 DFADMP Cc1ncsc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246836787 158102185 /nfs/dbraw/zinc/10/21/85/158102185.db2.gz OMENHNSESDFHCT-HOCLYGCPSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1ncsc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246836787 158102187 /nfs/dbraw/zinc/10/21/87/158102187.db2.gz OMENHNSESDFHCT-HOCLYGCPSA-N 2 1 305.491 2.943 20 0 DFADMP Cc1ncsc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246836787 158102190 /nfs/dbraw/zinc/10/21/90/158102190.db2.gz OMENHNSESDFHCT-HOCLYGCPSA-N 2 1 305.491 2.943 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000247174233 158122510 /nfs/dbraw/zinc/12/25/10/158122510.db2.gz UUAIYGPWSZESNC-DOTOQJQBSA-N 2 1 320.477 2.956 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247955583 158153159 /nfs/dbraw/zinc/15/31/59/158153159.db2.gz FNGOQWOTDOKCBX-NUJGCVRESA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000247955583 158153162 /nfs/dbraw/zinc/15/31/62/158153162.db2.gz FNGOQWOTDOKCBX-NUJGCVRESA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000247955583 158153163 /nfs/dbraw/zinc/15/31/63/158153163.db2.gz FNGOQWOTDOKCBX-NUJGCVRESA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247955583 158153167 /nfs/dbraw/zinc/15/31/67/158153167.db2.gz FNGOQWOTDOKCBX-NUJGCVRESA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)c1 ZINC000247954106 158153963 /nfs/dbraw/zinc/15/39/63/158153963.db2.gz FIEJPSRNSGASSL-MAUKXSAKSA-N 2 1 317.477 2.518 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(Cn3cccn3)cc2)[C@@H](C)C1 ZINC000248021154 158156993 /nfs/dbraw/zinc/15/69/93/158156993.db2.gz NRYAQPHBEFDOEI-QFBILLFUSA-N 2 1 312.461 2.751 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248005323 158157619 /nfs/dbraw/zinc/15/76/19/158157619.db2.gz KTBNAJJIGHLJBX-DZGCQCFKSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248005323 158157622 /nfs/dbraw/zinc/15/76/22/158157622.db2.gz KTBNAJJIGHLJBX-DZGCQCFKSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248005323 158157623 /nfs/dbraw/zinc/15/76/23/158157623.db2.gz KTBNAJJIGHLJBX-DZGCQCFKSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248005323 158157626 /nfs/dbraw/zinc/15/76/26/158157626.db2.gz KTBNAJJIGHLJBX-DZGCQCFKSA-N 2 1 320.433 2.545 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000248389047 158170380 /nfs/dbraw/zinc/17/03/80/158170380.db2.gz FXSUCOZYZWFAEA-UKRRQHHQSA-N 2 1 322.415 2.886 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C[C@@H]1C ZINC000248393723 158170957 /nfs/dbraw/zinc/17/09/57/158170957.db2.gz HABVWHPPCWYCHD-NXNVCVFFSA-N 2 1 321.465 2.785 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000248446499 158177406 /nfs/dbraw/zinc/17/74/06/158177406.db2.gz COZZQGNWKIMAEB-IPMKNSEASA-N 2 1 314.473 2.649 20 0 DFADMP Cc1cccc(C[NH+]2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000356863912 158316562 /nfs/dbraw/zinc/31/65/62/158316562.db2.gz WDJKBZDXAXASBC-FQEVSTJZSA-N 2 1 315.505 2.987 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCN(CCC(F)(F)F)CC2)C1 ZINC000356871720 158317516 /nfs/dbraw/zinc/31/75/16/158317516.db2.gz OVVYGLYFZAAZIQ-CQSZACIVSA-N 2 1 321.431 2.725 20 0 DFADMP CC[C@H]1C[C@H](C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)CCO1 ZINC000356987180 158340056 /nfs/dbraw/zinc/34/00/56/158340056.db2.gz JJWGCTPYRSTBCA-SJORKVTESA-N 2 1 305.466 2.880 20 0 DFADMP CC[C@@H]1C[C@H](C[N@H+]2CC[C@@H](OCC[NH+](CC)CC)C2)CCO1 ZINC000357001442 158343548 /nfs/dbraw/zinc/34/35/48/158343548.db2.gz XSAUMFKGRRMBFA-KZNAEPCWSA-N 2 1 312.498 2.624 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H](OC)c2ccc(F)cc2)CC1 ZINC000358294957 158370186 /nfs/dbraw/zinc/37/01/86/158370186.db2.gz CJOXGLCCBBWDCM-RDTXWAMCSA-N 2 1 324.440 2.602 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(F)c1 ZINC000358513029 158384048 /nfs/dbraw/zinc/38/40/48/158384048.db2.gz VDVSELVMWIWNSI-AWEZNQCLSA-N 2 1 319.424 2.537 20 0 DFADMP COC(=O)[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000375673436 158848820 /nfs/dbraw/zinc/84/88/20/158848820.db2.gz PZRAWLLGEALLSO-NWDGAFQWSA-N 2 1 319.380 2.780 20 0 DFADMP CSC1(C[NH2+]C2CC[NH+](CCc3ccncc3)CC2)CC1 ZINC000377658466 158916022 /nfs/dbraw/zinc/91/60/22/158916022.db2.gz KCMIDQNGXGOJNN-UHFFFAOYSA-N 2 1 305.491 2.574 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000430593365 296798621 /nfs/dbraw/zinc/79/86/21/296798621.db2.gz IVNZVHBQQPNDMA-OAHLLOKOSA-N 2 1 313.449 2.650 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440829354 297166781 /nfs/dbraw/zinc/16/67/81/297166781.db2.gz IYWCNPABUYKAJN-LLVKDONJSA-N 2 1 304.360 2.639 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cc(C(F)(F)F)n[nH]2)C1 ZINC000440829354 297166782 /nfs/dbraw/zinc/16/67/82/297166782.db2.gz IYWCNPABUYKAJN-LLVKDONJSA-N 2 1 304.360 2.639 20 0 DFADMP C[C@@H](O)C[N@@H+](C[C@H]1CCC[NH2+]C1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261886935 287084474 /nfs/dbraw/zinc/08/44/74/287084474.db2.gz XBFWXKYDNYCSQH-INMHGKMJSA-N 2 1 324.896 2.953 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174877841 287136019 /nfs/dbraw/zinc/13/60/19/287136019.db2.gz XLMXENCNUHXQBY-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000174877841 287136021 /nfs/dbraw/zinc/13/60/21/287136021.db2.gz XLMXENCNUHXQBY-LPHOPBHVSA-N 2 1 319.468 2.989 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CCS[C@@H](C)C2)CC1 ZINC000131394627 196165146 /nfs/dbraw/zinc/16/51/46/196165146.db2.gz LHOJVRLODHRNAC-INIZCTEOSA-N 2 1 319.518 2.766 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000131782775 196198874 /nfs/dbraw/zinc/19/88/74/196198874.db2.gz SAPYDSBSJNRROV-MJGOQNOKSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000131782775 196198875 /nfs/dbraw/zinc/19/88/75/196198875.db2.gz SAPYDSBSJNRROV-MJGOQNOKSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000131782775 196198877 /nfs/dbraw/zinc/19/88/77/196198877.db2.gz SAPYDSBSJNRROV-MJGOQNOKSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000131782775 196198878 /nfs/dbraw/zinc/19/88/78/196198878.db2.gz SAPYDSBSJNRROV-MJGOQNOKSA-N 2 1 312.461 2.868 20 0 DFADMP CC[N@@H+](CC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1)C1CC1 ZINC000132086040 196225048 /nfs/dbraw/zinc/22/50/48/196225048.db2.gz VSKHAUZHYPGRRK-OAHLLOKOSA-N 2 1 317.477 2.716 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353659756 287266634 /nfs/dbraw/zinc/26/66/34/287266634.db2.gz QOUOZBUCFVLJKB-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP COc1ccccc1N1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000133261340 196325430 /nfs/dbraw/zinc/32/54/30/196325430.db2.gz RDXPZZADBCRWDS-YESZJQIVSA-N 2 1 317.477 2.594 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302303 196329090 /nfs/dbraw/zinc/32/90/90/196329090.db2.gz AMYDXYHIALEMNV-FVQBIDKESA-N 2 1 304.434 2.981 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000133302303 196329092 /nfs/dbraw/zinc/32/90/92/196329092.db2.gz AMYDXYHIALEMNV-FVQBIDKESA-N 2 1 304.434 2.981 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368051551 287283775 /nfs/dbraw/zinc/28/37/75/287283775.db2.gz NPRUBKIBVFYDCJ-KZNAEPCWSA-N 2 1 307.526 2.913 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000667518001 543621446 /nfs/dbraw/zinc/62/14/46/543621446.db2.gz LWXZJHYJDBRGPA-SJLPKXTDSA-N 2 1 320.477 2.874 20 0 DFADMP Cc1ccc2cc(CN3CCC([N@H+](C)C[C@@H](C)O)CC3)[nH]c2c1 ZINC000667611531 543641057 /nfs/dbraw/zinc/64/10/57/543641057.db2.gz RUPLCJNEFAVKKQ-OAHLLOKOSA-N 2 1 315.461 2.753 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C(F)(F)F)cnn2C)[C@H](C)C1 ZINC000667666086 543655061 /nfs/dbraw/zinc/65/50/61/543655061.db2.gz BXPHXPBNJCFXEG-YPMHNXCESA-N 2 1 318.387 2.601 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667666828 543656178 /nfs/dbraw/zinc/65/61/78/543656178.db2.gz YZIBUSMMOHQWJP-GOSISDBHSA-N 2 1 312.417 2.660 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@]3(CCCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667666828 543656180 /nfs/dbraw/zinc/65/61/80/543656180.db2.gz YZIBUSMMOHQWJP-GOSISDBHSA-N 2 1 312.417 2.660 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667681958 543658432 /nfs/dbraw/zinc/65/84/32/543658432.db2.gz WDFVAVQRQQYSAM-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667681958 543658434 /nfs/dbraw/zinc/65/84/34/543658434.db2.gz WDFVAVQRQQYSAM-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667681958 543658437 /nfs/dbraw/zinc/65/84/37/543658437.db2.gz WDFVAVQRQQYSAM-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@@H](C)COC)cc2)C1 ZINC000667681958 543658440 /nfs/dbraw/zinc/65/84/40/543658440.db2.gz WDFVAVQRQQYSAM-WMZOPIPTSA-N 2 1 320.477 2.874 20 0 DFADMP C[N@@H+](CCCNC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000667732182 543669384 /nfs/dbraw/zinc/66/93/84/543669384.db2.gz FCZZWFQKGWSDSA-UHFFFAOYSA-N 2 1 318.465 2.921 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667776082 543676651 /nfs/dbraw/zinc/67/66/51/543676651.db2.gz HWGBLCPVOVZQIS-WOJBJXKFSA-N 2 1 314.473 2.851 20 0 DFADMP CCOc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)c(C)c1 ZINC000668277671 543782661 /nfs/dbraw/zinc/78/26/61/543782661.db2.gz MWLFUJPAHMFGBD-UHFFFAOYSA-N 2 1 318.461 2.690 20 0 DFADMP C[C@@H](O)C[C@@H]1CCCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145815 543749578 /nfs/dbraw/zinc/74/95/78/543749578.db2.gz TYJDDKRYKXHTLA-WBVHZDCISA-N 2 1 314.433 2.783 20 0 DFADMP C[C@@H](O)C[C@@H]1CCCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145815 543749580 /nfs/dbraw/zinc/74/95/80/543749580.db2.gz TYJDDKRYKXHTLA-WBVHZDCISA-N 2 1 314.433 2.783 20 0 DFADMP Cc1ncc(C[N@H+](C[C@H](C)c2ccccc2)[C@@H](C)CO)n1C ZINC000668174807 543759254 /nfs/dbraw/zinc/75/92/54/543759254.db2.gz YZEZRFJYFJXYLP-GJZGRUSLSA-N 2 1 301.434 2.715 20 0 DFADMP C[C@@]12CC[N@@H+](Cc3ccnn3-c3cc[nH+]cc3)C[C@@H]1C2(F)F ZINC000668183539 543761878 /nfs/dbraw/zinc/76/18/78/543761878.db2.gz HNDXFKYUCHFQSP-LSDHHAIUSA-N 2 1 304.344 2.744 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188415 543762840 /nfs/dbraw/zinc/76/28/40/543762840.db2.gz HQDOUXKRGYYVOP-LPHOPBHVSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@H](C)Oc1ccc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)cc1 ZINC000668188415 543762844 /nfs/dbraw/zinc/76/28/44/543762844.db2.gz HQDOUXKRGYYVOP-LPHOPBHVSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)cc1 ZINC000668188415 543762847 /nfs/dbraw/zinc/76/28/47/543762847.db2.gz HQDOUXKRGYYVOP-LPHOPBHVSA-N 2 1 318.461 2.628 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000668188415 543762850 /nfs/dbraw/zinc/76/28/50/543762850.db2.gz HQDOUXKRGYYVOP-LPHOPBHVSA-N 2 1 318.461 2.628 20 0 DFADMP CN(c1ccccc1)c1ccc(C[N@@H+](C)CC2CN(C)C2)cn1 ZINC000668539494 543820748 /nfs/dbraw/zinc/82/07/48/543820748.db2.gz XVDLSKONNWLFQB-UHFFFAOYSA-N 2 1 310.445 2.843 20 0 DFADMP CN(Cc1ccc(N(C)c2ccccc2)nc1)CC1C[NH+](C)C1 ZINC000668539494 543820751 /nfs/dbraw/zinc/82/07/51/543820751.db2.gz XVDLSKONNWLFQB-UHFFFAOYSA-N 2 1 310.445 2.843 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1cc(F)cc(F)c1 ZINC000668691723 543847330 /nfs/dbraw/zinc/84/73/30/543847330.db2.gz AWMPNGLPLCTSLS-SCLBCKFNSA-N 2 1 324.415 2.911 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]2[C@H]2CCCO2)cc1 ZINC000671309026 544067031 /nfs/dbraw/zinc/06/70/31/544067031.db2.gz GDUPGUBRDSBKKK-RBUKOAKNSA-N 2 1 318.461 2.770 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000671728871 544103770 /nfs/dbraw/zinc/10/37/70/544103770.db2.gz VGSYWKGCWHFFIA-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC2(CCC2)CC1 ZINC000671728871 544103772 /nfs/dbraw/zinc/10/37/72/544103772.db2.gz VGSYWKGCWHFFIA-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000671743971 544105261 /nfs/dbraw/zinc/10/52/61/544105261.db2.gz KAVARJIRPOMHFU-CMKODMSKSA-N 2 1 313.489 2.902 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671741612 544105483 /nfs/dbraw/zinc/10/54/83/544105483.db2.gz ZSTGEUKHQZKPHW-FPMFFAJLSA-N 2 1 301.390 2.811 20 0 DFADMP C[NH+](C)Cc1ccccc1NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000672741898 544149836 /nfs/dbraw/zinc/14/98/36/544149836.db2.gz LVXGJMUMFBAMAN-INIZCTEOSA-N 2 1 303.450 2.951 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)C1 ZINC000673600072 544185951 /nfs/dbraw/zinc/18/59/51/544185951.db2.gz MDXSQUJSAFPEQI-MRXNPFEDSA-N 2 1 312.461 2.942 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)C1 ZINC000673600072 544185953 /nfs/dbraw/zinc/18/59/53/544185953.db2.gz MDXSQUJSAFPEQI-MRXNPFEDSA-N 2 1 312.461 2.942 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)C1CCCC1 ZINC000674087750 544219158 /nfs/dbraw/zinc/21/91/58/544219158.db2.gz AIUKIBXDWMCJSM-FUHWJXTLSA-N 2 1 323.525 2.687 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000674351991 544234122 /nfs/dbraw/zinc/23/41/22/544234122.db2.gz GDDVCWWTNQCAME-KSZLIROESA-N 2 1 321.509 2.726 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491114 544315445 /nfs/dbraw/zinc/31/54/45/544315445.db2.gz PEKDKQMKPCITOE-OTWHNJEPSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491114 544315447 /nfs/dbraw/zinc/31/54/47/544315447.db2.gz PEKDKQMKPCITOE-OTWHNJEPSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491114 544315451 /nfs/dbraw/zinc/31/54/51/544315451.db2.gz PEKDKQMKPCITOE-OTWHNJEPSA-N 2 1 313.489 2.929 20 0 DFADMP CCc1nc(C)c([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000442864370 297208416 /nfs/dbraw/zinc/20/84/16/297208416.db2.gz CUKFLVSRLZSNQC-CYBMUJFWSA-N 2 1 324.538 2.691 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000675767378 544335143 /nfs/dbraw/zinc/33/51/43/544335143.db2.gz SOMWEZOGPYMKTN-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H](O)C1 ZINC000675767378 544335144 /nfs/dbraw/zinc/33/51/44/544335144.db2.gz SOMWEZOGPYMKTN-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675811256 544338479 /nfs/dbraw/zinc/33/84/79/544338479.db2.gz ZEEQQTIMFSPZDS-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675811256 544338482 /nfs/dbraw/zinc/33/84/82/544338482.db2.gz ZEEQQTIMFSPZDS-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677242383 544457660 /nfs/dbraw/zinc/45/76/60/544457660.db2.gz ZMNZEIIKKAAOJE-HOTGVXAUSA-N 2 1 304.434 2.681 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(O)ccc2Br)C1 ZINC000442918364 297211319 /nfs/dbraw/zinc/21/13/19/297211319.db2.gz GTGIBBDQVPBURU-LLVKDONJSA-N 2 1 313.239 2.716 20 0 DFADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000438187224 297083968 /nfs/dbraw/zinc/08/39/68/297083968.db2.gz GPHJJVTWLLEMCJ-QZTJIDSGSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)(C)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000438187224 297083969 /nfs/dbraw/zinc/08/39/69/297083969.db2.gz GPHJJVTWLLEMCJ-QZTJIDSGSA-N 2 1 304.478 2.895 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC000678046888 544588160 /nfs/dbraw/zinc/58/81/60/544588160.db2.gz YUNPXNLAGITQMP-AWEZNQCLSA-N 2 1 324.469 2.509 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@@H](C)c2nc(C)no2)CC1 ZINC000678046888 544588162 /nfs/dbraw/zinc/58/81/62/544588162.db2.gz YUNPXNLAGITQMP-AWEZNQCLSA-N 2 1 324.469 2.509 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCCC[C@H]1c1cncn1C ZINC000678074562 544594629 /nfs/dbraw/zinc/59/46/29/544594629.db2.gz OATITXSIWGEJPX-INIZCTEOSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1cncn1C ZINC000678074562 544594635 /nfs/dbraw/zinc/59/46/35/544594635.db2.gz OATITXSIWGEJPX-INIZCTEOSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1nccn1CCCC[N@@H+]1CCC[C@H](c2cnn(C)c2)C1 ZINC000678074210 544594851 /nfs/dbraw/zinc/59/48/51/544594851.db2.gz CJAOXBYRGMLVME-INIZCTEOSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H](c2cnn(C)c2)C1 ZINC000678074210 544594854 /nfs/dbraw/zinc/59/48/54/544594854.db2.gz CJAOXBYRGMLVME-INIZCTEOSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H](c2cnn(C)c2)C1 ZINC000678074210 544594859 /nfs/dbraw/zinc/59/48/59/544594859.db2.gz CJAOXBYRGMLVME-INIZCTEOSA-N 2 1 301.438 2.585 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3C[C@@H]3c3ccccc3)CC2)C1 ZINC000678259081 544635161 /nfs/dbraw/zinc/63/51/61/544635161.db2.gz YPYTUFNPRRRALY-SLFFLAALSA-N 2 1 313.489 2.502 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](Cc3ccccc3C3CC3)CC2)C1 ZINC000678258863 544635437 /nfs/dbraw/zinc/63/54/37/544635437.db2.gz PWXNAKORXWJBJF-LJQANCHMSA-N 2 1 313.489 2.776 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678249588 544632134 /nfs/dbraw/zinc/63/21/34/544632134.db2.gz BCQANFBHZRPNTJ-OAHLLOKOSA-N 2 1 302.462 2.841 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678249588 544632136 /nfs/dbraw/zinc/63/21/36/544632136.db2.gz BCQANFBHZRPNTJ-OAHLLOKOSA-N 2 1 302.462 2.841 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)n1 ZINC000678424127 544671027 /nfs/dbraw/zinc/67/10/27/544671027.db2.gz NVIDAHASRLLYJU-MRXNPFEDSA-N 2 1 318.509 2.623 20 0 DFADMP CCc1noc(C[NH+]2CCC(CC[N@@H+](CC)CC3CC3)CC2)n1 ZINC000678469786 544679590 /nfs/dbraw/zinc/67/95/90/544679590.db2.gz INYWIVIZOFLRHU-UHFFFAOYSA-N 2 1 320.481 2.966 20 0 DFADMP CCc1noc(C[NH+]2CCC(CC[N@H+](CC)CC3CC3)CC2)n1 ZINC000678469786 544679592 /nfs/dbraw/zinc/67/95/92/544679592.db2.gz INYWIVIZOFLRHU-UHFFFAOYSA-N 2 1 320.481 2.966 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cccc(F)c3n2)C[C@@H]1C ZINC000678276596 544641020 /nfs/dbraw/zinc/64/10/20/544641020.db2.gz KEPUFUZVXRHKHN-DZGCQCFKSA-N 2 1 304.413 2.778 20 0 DFADMP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000678277065 544641706 /nfs/dbraw/zinc/64/17/06/544641706.db2.gz PVBHLNMVGMQROD-SJORKVTESA-N 2 1 300.446 2.970 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2nn(C)c3ccccc23)C[C@@H]1C ZINC000678276584 544641900 /nfs/dbraw/zinc/64/19/00/544641900.db2.gz JSTGGTLUUXCGNQ-LSDHHAIUSA-N 2 1 300.450 2.878 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000678608514 544702474 /nfs/dbraw/zinc/70/24/74/544702474.db2.gz XIJGQMNAVOENLF-MNEFBYGVSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000678608514 544702478 /nfs/dbraw/zinc/70/24/78/544702478.db2.gz XIJGQMNAVOENLF-MNEFBYGVSA-N 2 1 302.462 2.790 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000678774455 544719172 /nfs/dbraw/zinc/71/91/72/544719172.db2.gz ISAGGPFBKBYWQF-GOSISDBHSA-N 2 1 315.461 2.948 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nccn3C2)CC[N@@H+]1Cc1ccccc1 ZINC000679024934 544769928 /nfs/dbraw/zinc/76/99/28/544769928.db2.gz FTCZGBGROOZADP-NZSAHSFTSA-N 2 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3nccn3C2)CC[N@H+]1Cc1ccccc1 ZINC000679024934 544769931 /nfs/dbraw/zinc/76/99/31/544769931.db2.gz FTCZGBGROOZADP-NZSAHSFTSA-N 2 1 324.472 2.841 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+](CC)C[C@H]1C ZINC000679022444 544769985 /nfs/dbraw/zinc/76/99/85/544769985.db2.gz MVTKRBWESHRQPT-CVEARBPZSA-N 2 1 314.477 2.919 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(-n2cccn2)cc1 ZINC000679024944 544770252 /nfs/dbraw/zinc/77/02/52/544770252.db2.gz GLAFZXXVSHSFDJ-GDBMZVCRSA-N 2 1 307.401 2.734 20 0 DFADMP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000679037930 544772749 /nfs/dbraw/zinc/77/27/49/544772749.db2.gz YVCQZGXDYWZIKE-RTBURBONSA-N 2 1 302.462 2.677 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000679038748 544773575 /nfs/dbraw/zinc/77/35/75/544773575.db2.gz QCUYZNSFHUJNMT-KRWDZBQOSA-N 2 1 308.853 2.764 20 0 DFADMP CCn1ncc2c1CCC[C@H]2[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000679052624 544775281 /nfs/dbraw/zinc/77/52/81/544775281.db2.gz VRXUPHVWKBVNSO-QGZVFWFLSA-N 2 1 302.466 2.744 20 0 DFADMP C[C@H]1C[C@@H](Nc2cccc(OCCC[NH+](C)C)c2)CC[N@H+]1C ZINC000679147972 544792408 /nfs/dbraw/zinc/79/24/08/544792408.db2.gz MMZVPHDLNSDIGL-RDJZCZTQSA-N 2 1 305.466 2.912 20 0 DFADMP COCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCC1 ZINC000680326337 544989852 /nfs/dbraw/zinc/98/98/52/544989852.db2.gz AGRXUKYFTDEHCW-UHFFFAOYSA-N 2 1 314.433 2.967 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3cc(OC)ccc3C2)[C@@H](C)C1 ZINC000680352651 544996337 /nfs/dbraw/zinc/99/63/37/544996337.db2.gz OKSSEMZTLHFRED-YJLNNSPDSA-N 2 1 302.462 2.872 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCc3cc(OC)ccc3C2)[C@H](C)C1 ZINC000680352650 544996440 /nfs/dbraw/zinc/99/64/40/544996440.db2.gz OKSSEMZTLHFRED-LJHODMEESA-N 2 1 302.462 2.872 20 0 DFADMP c1n[nH]cc1C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680146656 544963556 /nfs/dbraw/zinc/96/35/56/544963556.db2.gz ZWIYIHGCOIZXKA-OTWHNJEPSA-N 2 1 310.445 2.800 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@@H+](CCO)C(C)(C)C1 ZINC000302550337 230293175 /nfs/dbraw/zinc/29/31/75/230293175.db2.gz QDIHEUZZBQYFID-UHFFFAOYSA-N 2 1 313.445 2.745 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N(CC)CC)CC1 ZINC000066960708 425907860 /nfs/dbraw/zinc/90/78/60/425907860.db2.gz VXOSFGYFOJUBRW-INIZCTEOSA-N 2 1 311.514 2.687 20 0 DFADMP COCC[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000124517805 425924296 /nfs/dbraw/zinc/92/42/96/425924296.db2.gz QYLBZFXGVXVYGJ-ZDUSSCGKSA-N 2 1 309.454 2.518 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@H+](C)C[C@@H]1C ZINC000155870341 425928838 /nfs/dbraw/zinc/92/88/38/425928838.db2.gz NWEKVRZABXKYLZ-HOCLYGCPSA-N 2 1 300.450 2.665 20 0 DFADMP CCCC(=O)N(C)[C@@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124614222 425928911 /nfs/dbraw/zinc/92/89/11/425928911.db2.gz UEHGMPGRGJIOEY-DLBZAZTESA-N 2 1 309.498 2.582 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124730435 425935230 /nfs/dbraw/zinc/93/52/30/425935230.db2.gz AXWUEFVYPVULAQ-WBVHZDCISA-N 2 1 313.449 2.744 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124730435 425935233 /nfs/dbraw/zinc/93/52/33/425935233.db2.gz AXWUEFVYPVULAQ-WBVHZDCISA-N 2 1 313.449 2.744 20 0 DFADMP C[C@H](c1ccc(-n2cncn2)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124730435 425935235 /nfs/dbraw/zinc/93/52/35/425935235.db2.gz AXWUEFVYPVULAQ-WBVHZDCISA-N 2 1 313.449 2.744 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[NH+](CC(C)C)CC2)o1 ZINC000041800802 425852624 /nfs/dbraw/zinc/85/26/24/425852624.db2.gz ITKFEOWBEOGXOM-UHFFFAOYSA-N 2 1 321.465 2.535 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000192439885 268037201 /nfs/dbraw/zinc/03/72/01/268037201.db2.gz KPOCXZFGBAPZLG-MMIPBJDJSA-N 2 1 310.482 2.818 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192666113 268044733 /nfs/dbraw/zinc/04/47/33/268044733.db2.gz IVTVORKWAHWPHQ-QGZVFWFLSA-N 2 1 305.466 2.664 20 0 DFADMP CCSCC[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000192771555 268048431 /nfs/dbraw/zinc/04/84/31/268048431.db2.gz HFNJLQHHOUROOD-QGZVFWFLSA-N 2 1 315.571 2.866 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[NH+]3CCCCC3)c(C)n2n1 ZINC000192925314 268054181 /nfs/dbraw/zinc/05/41/81/268054181.db2.gz CCEURJPVSZGECM-OAHLLOKOSA-N 2 1 315.465 2.873 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000220780301 268140566 /nfs/dbraw/zinc/14/05/66/268140566.db2.gz QFDLEYNKCROZSX-XHSDSOJGSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000220780301 268140569 /nfs/dbraw/zinc/14/05/69/268140569.db2.gz QFDLEYNKCROZSX-XHSDSOJGSA-N 2 1 323.481 2.602 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236943039 268152551 /nfs/dbraw/zinc/15/25/51/268152551.db2.gz KGINKHUPNQRKQA-NXHRZFHOSA-N 2 1 317.477 2.531 20 0 DFADMP C[N@H+](CC(=O)NCC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000237059185 268153420 /nfs/dbraw/zinc/15/34/20/268153420.db2.gz VXXJUAYUAXFWSZ-UHFFFAOYSA-N 2 1 317.477 2.547 20 0 DFADMP C[N@@H+](CC(=O)NCC[NH2+]C1CCCCCC1)Cc1ccccc1 ZINC000237059185 268153423 /nfs/dbraw/zinc/15/34/23/268153423.db2.gz VXXJUAYUAXFWSZ-UHFFFAOYSA-N 2 1 317.477 2.547 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)[nH+]1 ZINC000270850695 268226071 /nfs/dbraw/zinc/22/60/71/268226071.db2.gz XTMWRUFRXBSGQQ-QSFXBCCZSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3Cc4ccccc4[C@@H]3O)C2)[nH+]1 ZINC000270850695 268226074 /nfs/dbraw/zinc/22/60/74/268226074.db2.gz XTMWRUFRXBSGQQ-QSFXBCCZSA-N 2 1 323.440 2.782 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC[N@H+]1C ZINC000271520302 268249742 /nfs/dbraw/zinc/24/97/42/268249742.db2.gz QDGHUNVNTCRRRE-HIFRSBDPSA-N 2 1 316.474 2.820 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000274525201 268257569 /nfs/dbraw/zinc/25/75/69/268257569.db2.gz SVRZRTSTHSPHQW-ZWKOTPCHSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000274525201 268257570 /nfs/dbraw/zinc/25/75/70/268257570.db2.gz SVRZRTSTHSPHQW-ZWKOTPCHSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000274525201 268257571 /nfs/dbraw/zinc/25/75/71/268257571.db2.gz SVRZRTSTHSPHQW-ZWKOTPCHSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000274525201 268257572 /nfs/dbraw/zinc/25/75/72/268257572.db2.gz SVRZRTSTHSPHQW-ZWKOTPCHSA-N 2 1 317.477 2.668 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)cc1 ZINC000295145263 268290809 /nfs/dbraw/zinc/29/08/09/268290809.db2.gz CCDZIPKQMXLYGY-HNNXBMFYSA-N 2 1 311.429 2.865 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)cc1 ZINC000295145263 268290811 /nfs/dbraw/zinc/29/08/11/268290811.db2.gz CCDZIPKQMXLYGY-HNNXBMFYSA-N 2 1 311.429 2.865 20 0 DFADMP C[C@H](CC[NH2+]C[C@H](O)CC(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000307935313 268334654 /nfs/dbraw/zinc/33/46/54/268334654.db2.gz DRVKMASVQNXIFG-UKRRQHHQSA-N 2 1 318.383 2.800 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310030560 268337206 /nfs/dbraw/zinc/33/72/06/268337206.db2.gz XNMDEPWOJYSTMT-QLFBSQMISA-N 2 1 313.486 2.752 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310030560 268337207 /nfs/dbraw/zinc/33/72/07/268337207.db2.gz XNMDEPWOJYSTMT-QLFBSQMISA-N 2 1 313.486 2.752 20 0 DFADMP CC(C)(C)OC(=O)NC[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)C1CC1 ZINC000310024961 268337351 /nfs/dbraw/zinc/33/73/51/268337351.db2.gz UFFHXXKYUFLQGN-MRXNPFEDSA-N 2 1 323.481 2.506 20 0 DFADMP C[C@H](c1ccc2c(c1)OCCCO2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000319417866 268346124 /nfs/dbraw/zinc/34/61/24/268346124.db2.gz HJTPEZRRELLELH-HBUWYVDXSA-N 2 1 304.434 2.826 20 0 DFADMP C[C@H]1C[C@H](C[N@H+]2CCCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000323764755 268350281 /nfs/dbraw/zinc/35/02/81/268350281.db2.gz XBJLYDWDPCLYJV-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000333187873 268380961 /nfs/dbraw/zinc/38/09/61/268380961.db2.gz UECNHGZSKCIIBF-VNHYZAJKSA-N 2 1 304.438 2.515 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000125587649 425980429 /nfs/dbraw/zinc/98/04/29/425980429.db2.gz YCWQHKXCWDZYQX-USXIJHARSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000125587649 425980432 /nfs/dbraw/zinc/98/04/32/425980432.db2.gz YCWQHKXCWDZYQX-USXIJHARSA-N 2 1 305.441 2.867 20 0 DFADMP COc1ccc(C[N@H+](CCC[NH3+])Cc2ccccc2)cc1O ZINC000336696401 268432711 /nfs/dbraw/zinc/43/27/11/268432711.db2.gz BFLNJIYDYKILMN-UHFFFAOYSA-N 2 1 300.402 2.752 20 0 DFADMP COc1ccc(C[N@@H+](CCC[NH3+])Cc2ccccc2)cc1O ZINC000336696401 268432713 /nfs/dbraw/zinc/43/27/13/268432713.db2.gz BFLNJIYDYKILMN-UHFFFAOYSA-N 2 1 300.402 2.752 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125005610 425949570 /nfs/dbraw/zinc/94/95/70/425949570.db2.gz UGLVYIRWNYVDOH-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CC(C)NC(=O)CC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158896147 425949641 /nfs/dbraw/zinc/94/96/41/425949641.db2.gz FGHIHSWBVNNGBY-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000158889021 425950293 /nfs/dbraw/zinc/95/02/93/425950293.db2.gz YFZGNUNFOZFGOZ-WMLDXEAASA-N 2 1 303.450 2.855 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000158961658 425950842 /nfs/dbraw/zinc/95/08/42/425950842.db2.gz SYVBDUROSLCELD-PKOBYXMFSA-N 2 1 302.462 2.665 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000158976364 425950856 /nfs/dbraw/zinc/95/08/56/425950856.db2.gz YDTPKDKEJARDJA-FUHWJXTLSA-N 2 1 322.493 2.916 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](CCCn2cc[nH+]c2C)C1 ZINC000125051320 425952167 /nfs/dbraw/zinc/95/21/67/425952167.db2.gz JPQSFWHULQQCHW-WBVHZDCISA-N 2 1 320.481 2.598 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCn2cc[nH+]c2C)C1 ZINC000125051320 425952169 /nfs/dbraw/zinc/95/21/69/425952169.db2.gz JPQSFWHULQQCHW-WBVHZDCISA-N 2 1 320.481 2.598 20 0 DFADMP CCn1nc(C)c([C@H](C)[NH2+]C2CC[NH+](CCCOC)CC2)c1C ZINC000159192064 425955910 /nfs/dbraw/zinc/95/59/10/425955910.db2.gz CWGFDSWASIVNMH-AWEZNQCLSA-N 2 1 322.497 2.671 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCOCCc2ccccc2)[C@H](C)C1 ZINC000125301826 425964278 /nfs/dbraw/zinc/96/42/78/425964278.db2.gz FRCYEXGQSSQNTE-MJGOQNOKSA-N 2 1 304.478 2.956 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1Cl ZINC000070171120 425968861 /nfs/dbraw/zinc/96/88/61/425968861.db2.gz QWMQBVZHBXYETF-CYBMUJFWSA-N 2 1 309.841 2.648 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000070149956 425968887 /nfs/dbraw/zinc/96/88/87/425968887.db2.gz HVMZLJOPKCNXQH-HNNXBMFYSA-N 2 1 309.841 2.872 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000070149708 425968968 /nfs/dbraw/zinc/96/89/68/425968968.db2.gz IDLWCLNHZQLDQP-ZDUSSCGKSA-N 2 1 309.841 2.872 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106869069 425976978 /nfs/dbraw/zinc/97/69/78/425976978.db2.gz BGUAIIQPKKWTNW-ZIAGYGMSSA-N 2 1 302.447 2.855 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106869069 425976981 /nfs/dbraw/zinc/97/69/81/425976981.db2.gz BGUAIIQPKKWTNW-ZIAGYGMSSA-N 2 1 302.447 2.855 20 0 DFADMP CC[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126654460 426029579 /nfs/dbraw/zinc/02/95/79/426029579.db2.gz FVRGPQHLKHCLSC-IAGOWNOFSA-N 2 1 303.494 2.958 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126666501 426031028 /nfs/dbraw/zinc/03/10/28/426031028.db2.gz UVRSIRMDJSCRMI-HZPDHXFCSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126666501 426031030 /nfs/dbraw/zinc/03/10/30/426031030.db2.gz UVRSIRMDJSCRMI-HZPDHXFCSA-N 2 1 304.434 2.810 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000126671313 426031129 /nfs/dbraw/zinc/03/11/29/426031129.db2.gz BTJRDKLBZCPCDE-RTBURBONSA-N 2 1 310.445 2.648 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000126671313 426031133 /nfs/dbraw/zinc/03/11/33/426031133.db2.gz BTJRDKLBZCPCDE-RTBURBONSA-N 2 1 310.445 2.648 20 0 DFADMP CCC[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000126862990 426039706 /nfs/dbraw/zinc/03/97/06/426039706.db2.gz XZNVIYLWOIYTDO-SJLPKXTDSA-N 2 1 319.493 2.744 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC000111241176 426040673 /nfs/dbraw/zinc/04/06/73/426040673.db2.gz WPLLNPUYGOPANN-UHFFFAOYSA-N 2 1 304.434 2.779 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2cccc(C(=O)OC)c2)CC1 ZINC000111241176 426040676 /nfs/dbraw/zinc/04/06/76/426040676.db2.gz WPLLNPUYGOPANN-UHFFFAOYSA-N 2 1 304.434 2.779 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872599 426042442 /nfs/dbraw/zinc/04/24/42/426042442.db2.gz QAMNNOVQIGJWBA-YCPHGPKFSA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872599 426042444 /nfs/dbraw/zinc/04/24/44/426042444.db2.gz QAMNNOVQIGJWBA-YCPHGPKFSA-N 2 1 304.434 2.666 20 0 DFADMP CC(=O)NC1CCC([NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000161857468 426042980 /nfs/dbraw/zinc/04/29/80/426042980.db2.gz HNXSGCRFZLOQMR-SEEUUAMPSA-N 2 1 321.509 2.676 20 0 DFADMP CC(C)n1cnnc1[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000161950065 426047064 /nfs/dbraw/zinc/04/70/64/426047064.db2.gz PAXPMBNFUQJUAP-KRWDZBQOSA-N 2 1 319.497 2.914 20 0 DFADMP CC(C)n1cnnc1[C@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000161950065 426047065 /nfs/dbraw/zinc/04/70/65/426047065.db2.gz PAXPMBNFUQJUAP-KRWDZBQOSA-N 2 1 319.497 2.914 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C)n2)[C@H](C)C1 ZINC000127243405 426057268 /nfs/dbraw/zinc/05/72/68/426057268.db2.gz FABOLXKIJLWYKU-QAPCUYQASA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cccc(C)n2)[C@H](C)C1 ZINC000127243405 426057271 /nfs/dbraw/zinc/05/72/71/426057271.db2.gz FABOLXKIJLWYKU-QAPCUYQASA-N 2 1 305.466 2.617 20 0 DFADMP CCOC(=O)C1([N@@H+](C)CCCn2ccnc2C)CCCCC1 ZINC000127456735 426066972 /nfs/dbraw/zinc/06/69/72/426066972.db2.gz SRWQOAZEPWZTPY-UHFFFAOYSA-N 2 1 307.438 2.779 20 0 DFADMP CCOC(=O)C1([N@H+](C)CCCn2cc[nH+]c2C)CCCCC1 ZINC000127456735 426066973 /nfs/dbraw/zinc/06/69/73/426066973.db2.gz SRWQOAZEPWZTPY-UHFFFAOYSA-N 2 1 307.438 2.779 20 0 DFADMP CCCc1cc(N2C[C@H]3OCC[N@@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000126228498 426011433 /nfs/dbraw/zinc/01/14/33/426011433.db2.gz UGURNIXEJBGQLG-RBUKOAKNSA-N 2 1 311.429 2.707 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2ccc(Cl)cc2F)CC1 ZINC000162641799 426071249 /nfs/dbraw/zinc/07/12/49/426071249.db2.gz TWWJWRWJFKUQMW-UHFFFAOYSA-N 2 1 300.805 2.809 20 0 DFADMP COc1cccc([C@@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126469195 426020369 /nfs/dbraw/zinc/02/03/69/426020369.db2.gz PGWVRBZEQNNHRF-MRXNPFEDSA-N 2 1 319.493 2.714 20 0 DFADMP C[N@H+](CCC(=O)Nc1cccc(F)c1)CC[C@@H]1CCCC[NH+]1C ZINC000075859932 426088527 /nfs/dbraw/zinc/08/85/27/426088527.db2.gz APHXSJGVZWJPDE-KRWDZBQOSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(F)c1)CC[C@@H]1CCCC[N@@H+]1C ZINC000075859932 426088530 /nfs/dbraw/zinc/08/85/30/426088530.db2.gz APHXSJGVZWJPDE-KRWDZBQOSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1cccc(F)c1)CC[C@@H]1CCCC[N@H+]1C ZINC000075859932 426088532 /nfs/dbraw/zinc/08/85/32/426088532.db2.gz APHXSJGVZWJPDE-KRWDZBQOSA-N 2 1 321.440 2.961 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2cnn(C)c2)CC1 ZINC000163088328 426089022 /nfs/dbraw/zinc/08/90/22/426089022.db2.gz AEFPLPLNSLPUSJ-UHFFFAOYSA-N 2 1 301.438 2.585 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)C1 ZINC000163228783 426093625 /nfs/dbraw/zinc/09/36/25/426093625.db2.gz CRHSPTZXUMDRRK-GJZGRUSLSA-N 2 1 317.433 2.636 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc3c(c2)C(C)(C)C(=O)N3)C1 ZINC000163234834 426094330 /nfs/dbraw/zinc/09/43/30/426094330.db2.gz WCGFCDCZVMAXAB-KBPBESRZSA-N 2 1 315.461 2.909 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)n1 ZINC000163461653 426100993 /nfs/dbraw/zinc/10/09/93/426100993.db2.gz AXDYKRBAGZXKHG-IRXDYDNUSA-N 2 1 302.466 2.608 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000163461653 426100996 /nfs/dbraw/zinc/10/09/96/426100996.db2.gz AXDYKRBAGZXKHG-IRXDYDNUSA-N 3 1 302.466 2.608 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)n1 ZINC000163461653 426101000 /nfs/dbraw/zinc/10/10/00/426101000.db2.gz AXDYKRBAGZXKHG-IRXDYDNUSA-N 3 1 302.466 2.608 20 0 DFADMP Fc1ccc2c(c1)nccc2NC[C@@H]1CN(C2CC2)CCO1 ZINC000113247615 426109328 /nfs/dbraw/zinc/10/93/28/426109328.db2.gz LIUQBPNVJOLAJO-CQSZACIVSA-N 2 1 301.365 2.649 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH2+]CC1 ZINC000164606929 426114976 /nfs/dbraw/zinc/11/49/76/426114976.db2.gz VITOJGHDSVVEPG-UHFFFAOYSA-N 2 1 317.477 2.533 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)[C@H]([NH3+])C(C)C)c1 ZINC000165339102 426121785 /nfs/dbraw/zinc/12/17/85/426121785.db2.gz QOUNVCMGVVCRFT-MRXNPFEDSA-N 2 1 314.433 2.977 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C(C)C ZINC000165329803 426122204 /nfs/dbraw/zinc/12/22/04/426122204.db2.gz IDLCDQKPUQEHLV-RTBURBONSA-N 2 1 304.478 2.812 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165298893 426122442 /nfs/dbraw/zinc/12/24/42/426122442.db2.gz NADBBPJWJOTMEA-NZSAHSFTSA-N 2 1 302.462 2.566 20 0 DFADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccc(F)cc1 ZINC000128570223 426123907 /nfs/dbraw/zinc/12/39/07/426123907.db2.gz TWSXYLILALGJLT-SFHVURJKSA-N 2 1 307.457 2.894 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000166352383 426126727 /nfs/dbraw/zinc/12/67/27/426126727.db2.gz PJKHYMALLWUQMU-JZXOWHBKSA-N 2 1 317.477 2.559 20 0 DFADMP C[NH+](C)CC(C)(C)C[NH2+]Cc1cncc(Br)c1 ZINC000166858646 426129826 /nfs/dbraw/zinc/12/98/26/426129826.db2.gz MTJOHBGZPLZTKX-UHFFFAOYSA-N 2 1 300.244 2.522 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166888484 426130238 /nfs/dbraw/zinc/13/02/38/426130238.db2.gz PLKDSOHKZSJSDK-GFCCVEGCSA-N 2 1 312.255 2.664 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000166888484 426130241 /nfs/dbraw/zinc/13/02/41/426130241.db2.gz PLKDSOHKZSJSDK-GFCCVEGCSA-N 2 1 312.255 2.664 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCOC3)CC2)oc1C ZINC000162734130 426075409 /nfs/dbraw/zinc/07/54/09/426075409.db2.gz AOHVTTUOBCUTBO-YOEHRIQHSA-N 2 1 321.465 2.518 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000162772199 426075962 /nfs/dbraw/zinc/07/59/62/426075962.db2.gz YHIWKLUKXPHUTJ-CVEARBPZSA-N 2 1 309.479 2.568 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000162772199 426075964 /nfs/dbraw/zinc/07/59/64/426075964.db2.gz YHIWKLUKXPHUTJ-CVEARBPZSA-N 2 1 309.479 2.568 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)CC[C@@H]21 ZINC000162795484 426077812 /nfs/dbraw/zinc/07/78/12/426077812.db2.gz RRVAVARMMSPTAP-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)CC[C@@H]21 ZINC000162795484 426077815 /nfs/dbraw/zinc/07/78/15/426077815.db2.gz RRVAVARMMSPTAP-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(F)c3)CC[C@@H]21 ZINC000162795484 426077818 /nfs/dbraw/zinc/07/78/18/426077818.db2.gz RRVAVARMMSPTAP-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000162789877 426077869 /nfs/dbraw/zinc/07/78/69/426077869.db2.gz JRWMIQPWMJTTRD-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000162789877 426077873 /nfs/dbraw/zinc/07/78/73/426077873.db2.gz JRWMIQPWMJTTRD-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000162789877 426077876 /nfs/dbraw/zinc/07/78/76/426077876.db2.gz JRWMIQPWMJTTRD-YOEHRIQHSA-N 2 1 319.424 2.570 20 0 DFADMP COC(=O)[C@@H](c1ccccc1C)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000162847244 426080482 /nfs/dbraw/zinc/08/04/82/426080482.db2.gz LYRPWBBNIHMNSC-GOSISDBHSA-N 2 1 318.461 2.873 20 0 DFADMP CN(C(=O)CC[NH+]1CCC([NH+]2CCCC2)CC1)c1ccccc1 ZINC000134992432 426201666 /nfs/dbraw/zinc/20/16/66/426201666.db2.gz STWXFTSQRJGICZ-UHFFFAOYSA-N 2 1 315.461 2.600 20 0 DFADMP CCN(C)C(=O)CC[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000130289094 426154021 /nfs/dbraw/zinc/15/40/21/426154021.db2.gz AWPDSGABPXTUPM-UHFFFAOYSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCC[C@H]([NH2+]C)C2)cc1)C(C)C ZINC000133573086 426182039 /nfs/dbraw/zinc/18/20/39/426182039.db2.gz QKOJXUKMVADREA-SFHVURJKSA-N 2 1 317.477 2.741 20 0 DFADMP C[C@@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)N(C)c1ccccc1 ZINC000116396936 426189122 /nfs/dbraw/zinc/18/91/22/426189122.db2.gz FVQPEZMIBVUHMD-WBVHZDCISA-N 2 1 319.493 2.994 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccc(F)cc2)CC1 ZINC000171588488 426197572 /nfs/dbraw/zinc/19/75/72/426197572.db2.gz VAYDGHIINLCEJS-GJZGRUSLSA-N 2 1 308.441 2.911 20 0 DFADMP C[C@@](O)(C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134879215 426197848 /nfs/dbraw/zinc/19/78/48/426197848.db2.gz QLKMOZRRWDZCJN-NSISKUIASA-N 2 1 314.473 2.843 20 0 DFADMP C[C@@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134879215 426197849 /nfs/dbraw/zinc/19/78/49/426197849.db2.gz QLKMOZRRWDZCJN-NSISKUIASA-N 2 1 314.473 2.843 20 0 DFADMP C[C@@](O)(C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134879215 426197850 /nfs/dbraw/zinc/19/78/50/426197850.db2.gz QLKMOZRRWDZCJN-NSISKUIASA-N 2 1 314.473 2.843 20 0 DFADMP O[C@@H](C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1)c1ccccc1 ZINC000134899878 426199747 /nfs/dbraw/zinc/19/97/47/426199747.db2.gz LVKRIKHFMKWDBV-QRQLOZEOSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1 ZINC000134899878 426199751 /nfs/dbraw/zinc/19/97/51/426199751.db2.gz LVKRIKHFMKWDBV-QRQLOZEOSA-N 2 1 300.446 2.669 20 0 DFADMP O[C@@H](C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1)c1ccccc1 ZINC000134899878 426199754 /nfs/dbraw/zinc/19/97/54/426199754.db2.gz LVKRIKHFMKWDBV-QRQLOZEOSA-N 2 1 300.446 2.669 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCC(=O)NCC2CCCCC2)C1 ZINC000081572265 426224509 /nfs/dbraw/zinc/22/45/09/426224509.db2.gz RAWCUXQFOXNSTH-GOSISDBHSA-N 2 1 323.525 2.737 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000081572265 426224513 /nfs/dbraw/zinc/22/45/13/426224513.db2.gz RAWCUXQFOXNSTH-GOSISDBHSA-N 2 1 323.525 2.737 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000081572265 426224514 /nfs/dbraw/zinc/22/45/14/426224514.db2.gz RAWCUXQFOXNSTH-GOSISDBHSA-N 2 1 323.525 2.737 20 0 DFADMP COc1c(C)cnc(C[N@H+]2CC[C@@H](C)[C@H](n3ccnc3)C2)c1C ZINC000136083365 426234584 /nfs/dbraw/zinc/23/45/84/426234584.db2.gz DZZCGLXFNMHKNJ-CXAGYDPISA-N 2 1 314.433 2.987 20 0 DFADMP C[C@H]1CC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1n1ccnc1 ZINC000136097183 426234940 /nfs/dbraw/zinc/23/49/40/426234940.db2.gz YXNHROIUPIQUHO-JQHSSLGASA-N 2 1 324.428 2.572 20 0 DFADMP C[C@H]1CCN([C@@H]2CCN(c3ccccc3)C2=O)C[C@@H]1n1ccnc1 ZINC000136097183 426234943 /nfs/dbraw/zinc/23/49/43/426234943.db2.gz YXNHROIUPIQUHO-JQHSSLGASA-N 2 1 324.428 2.572 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC[N@H+]1C ZINC000151040298 426274360 /nfs/dbraw/zinc/27/43/60/426274360.db2.gz CPRANKFWHOXAJD-NVXWUHKLSA-N 2 1 315.461 2.776 20 0 DFADMP COC(CN(C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)OC ZINC000136780712 426245619 /nfs/dbraw/zinc/24/56/19/426245619.db2.gz AGVHKIPDJWNJOI-RDJZCZTQSA-N 2 1 306.450 2.590 20 0 DFADMP COC(C[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)OC ZINC000136780712 426245621 /nfs/dbraw/zinc/24/56/21/426245621.db2.gz AGVHKIPDJWNJOI-RDJZCZTQSA-N 2 1 306.450 2.590 20 0 DFADMP COC(C[N@@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1)OC ZINC000136780712 426245625 /nfs/dbraw/zinc/24/56/25/426245625.db2.gz AGVHKIPDJWNJOI-RDJZCZTQSA-N 2 1 306.450 2.590 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(C)c3)C2)CC1 ZINC000173709038 426246210 /nfs/dbraw/zinc/24/62/10/426246210.db2.gz CYRJOLLXVBUXHK-HKUYNNGSSA-N 2 1 301.478 2.768 20 0 DFADMP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000174460441 426257007 /nfs/dbraw/zinc/25/70/07/426257007.db2.gz ZUWHQXSJPIWAFW-BBRMVZONSA-N 2 1 304.463 2.654 20 0 DFADMP Cn1cncc1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000174460441 426257011 /nfs/dbraw/zinc/25/70/11/426257011.db2.gz ZUWHQXSJPIWAFW-BBRMVZONSA-N 2 1 304.463 2.654 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000119101538 426262255 /nfs/dbraw/zinc/26/22/55/426262255.db2.gz XVZXXVMGTVPMBD-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119101538 426262259 /nfs/dbraw/zinc/26/22/59/426262259.db2.gz XVZXXVMGTVPMBD-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119101538 426262263 /nfs/dbraw/zinc/26/22/63/426262263.db2.gz XVZXXVMGTVPMBD-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000119101538 426262267 /nfs/dbraw/zinc/26/22/67/426262267.db2.gz XVZXXVMGTVPMBD-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000119101538 426262269 /nfs/dbraw/zinc/26/22/69/426262269.db2.gz XVZXXVMGTVPMBD-NEWSRXKRSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)CC[N@H+]1C ZINC000119101341 426262719 /nfs/dbraw/zinc/26/27/19/426262719.db2.gz XVZXXVMGTVPMBD-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119101341 426262722 /nfs/dbraw/zinc/26/27/22/426262722.db2.gz XVZXXVMGTVPMBD-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC[NH+]1C ZINC000119101341 426262726 /nfs/dbraw/zinc/26/27/26/426262726.db2.gz XVZXXVMGTVPMBD-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[N@@H+]1C ZINC000119101341 426262728 /nfs/dbraw/zinc/26/27/28/426262728.db2.gz XVZXXVMGTVPMBD-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CCCN2Cc2ccccc2)CC[N@H+]1C ZINC000119101341 426262731 /nfs/dbraw/zinc/26/27/31/426262731.db2.gz XVZXXVMGTVPMBD-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]CCn2cc[nH+]c2C)C1 ZINC000339215825 268777670 /nfs/dbraw/zinc/77/76/70/268777670.db2.gz MCBTXLKTXYESPT-JKSUJKDBSA-N 2 1 307.438 2.683 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151285933 426288354 /nfs/dbraw/zinc/28/83/54/426288354.db2.gz JLOFCLYNUSQFRO-WMZOPIPTSA-N 2 1 306.450 2.583 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000119583497 426298632 /nfs/dbraw/zinc/29/86/32/426298632.db2.gz PETLTVKEKJJKBN-MSOLQXFVSA-N 2 1 317.477 2.847 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2c(s1)CCCC2 ZINC000089667506 426301532 /nfs/dbraw/zinc/30/15/32/426301532.db2.gz OOKCQJOXKQSVPZ-IPYPFGDCSA-N 2 1 307.507 2.883 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)CC[N@@H+]1C ZINC000120678825 426314079 /nfs/dbraw/zinc/31/40/79/426314079.db2.gz BUQNPVXKFKPLIC-WWGRRREGSA-N 2 1 311.420 2.640 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](c2c(F)cccc2F)N(C)C)CC[N@H+]1C ZINC000120678825 426314081 /nfs/dbraw/zinc/31/40/81/426314081.db2.gz BUQNPVXKFKPLIC-WWGRRREGSA-N 2 1 311.420 2.640 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC[N@H+]1C ZINC000152043118 426324038 /nfs/dbraw/zinc/32/40/38/426324038.db2.gz HJHZOTZQMJZFPK-MAUKXSAKSA-N 2 1 320.452 2.946 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1NC1CC[NH+](Cc2ccccc2)CC1 ZINC000121234461 426327798 /nfs/dbraw/zinc/32/77/98/426327798.db2.gz WOVZUGXDNJEFTM-FUHIMQAGSA-N 2 1 315.505 2.969 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)ccc1Br ZINC000089150235 426281566 /nfs/dbraw/zinc/28/15/66/426281566.db2.gz DHXBRUVOSVLVTE-NOZJJQNGSA-N 2 1 301.203 2.805 20 0 DFADMP Cn1ncc2c1CCC[C@H]2NCCC[N@@H+]1CCc2ccccc2C1 ZINC000122814104 426396458 /nfs/dbraw/zinc/39/64/58/426396458.db2.gz YEYNSPOMNPWZIF-LJQANCHMSA-N 2 1 324.472 2.836 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000122814104 426396465 /nfs/dbraw/zinc/39/64/65/426396465.db2.gz YEYNSPOMNPWZIF-LJQANCHMSA-N 2 1 324.472 2.836 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000122814104 426396467 /nfs/dbraw/zinc/39/64/67/426396467.db2.gz YEYNSPOMNPWZIF-LJQANCHMSA-N 2 1 324.472 2.836 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000122829786 426397822 /nfs/dbraw/zinc/39/78/22/426397822.db2.gz VZPLBBDPJQJQSF-ZNMIVQPWSA-N 2 1 313.486 2.608 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000153652675 426398295 /nfs/dbraw/zinc/39/82/95/426398295.db2.gz WHQOIFBNODZXPS-JKIFEVAISA-N 2 1 316.424 2.830 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)c1ccc2c(c1)OCCO2 ZINC000122879475 426400897 /nfs/dbraw/zinc/40/08/97/426400897.db2.gz BEVUUBUCVSQMOF-HOCLYGCPSA-N 2 1 318.461 2.665 20 0 DFADMP OC[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000153746104 426403269 /nfs/dbraw/zinc/40/32/69/426403269.db2.gz LRDUDVPXYXMGRS-AZUAARDMSA-N 2 1 316.489 2.834 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc2c(c1)CCO2 ZINC000153755953 426404014 /nfs/dbraw/zinc/40/40/14/426404014.db2.gz RWFUFXUGUQRKFS-QGZVFWFLSA-N 2 1 306.450 2.631 20 0 DFADMP CC[C@H](COC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152913873 426360685 /nfs/dbraw/zinc/36/06/85/426360685.db2.gz RGDPWBXJKYXNES-QGZVFWFLSA-N 2 1 308.441 2.847 20 0 DFADMP C[NH+](C)[C@H](CNC1CC[NH+](C2CCCC2)CC1)c1ccco1 ZINC000154135325 426426197 /nfs/dbraw/zinc/42/61/97/426426197.db2.gz NSLGJGAZXBFLLZ-QGZVFWFLSA-N 2 1 305.466 2.879 20 0 DFADMP CC(C)[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469542 268978698 /nfs/dbraw/zinc/97/86/98/268978698.db2.gz KMLPBMKGNLTKRY-SFHVURJKSA-N 2 1 302.462 2.913 20 0 DFADMP COc1ccc([C@@H](CCC(C)C)[NH2+]C[C@H](O)C[NH+](C)C)cc1 ZINC000154252753 426432837 /nfs/dbraw/zinc/43/28/37/426432837.db2.gz VIFJOJSXZJWDDI-FUHWJXTLSA-N 2 1 308.466 2.685 20 0 DFADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154328811 426437311 /nfs/dbraw/zinc/43/73/11/426437311.db2.gz UFSSLBGFNGPNCA-ZIAGYGMSSA-N 2 1 319.276 2.827 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000123529144 426439201 /nfs/dbraw/zinc/43/92/01/426439201.db2.gz HWNOBUSFQNEJCF-UHFFFAOYSA-N 2 1 318.421 2.883 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cccnc2Cl)CC1 ZINC000154475570 426441295 /nfs/dbraw/zinc/44/12/95/426441295.db2.gz HDJKWUIGQQSRSE-HNNXBMFYSA-N 2 1 324.900 2.803 20 0 DFADMP C[C@@]1(C[N@@H+](CCCO)[C@H]2CCCc3ccccc32)CC[NH2+]C1 ZINC000340700971 269001133 /nfs/dbraw/zinc/00/11/33/269001133.db2.gz KDRYUINXRNNZPK-RBUKOAKNSA-N 2 1 302.462 2.748 20 0 DFADMP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCC2)cc1 ZINC000341068938 269038038 /nfs/dbraw/zinc/03/80/38/269038038.db2.gz ZDKLSLWNFQGTPO-QFBILLFUSA-N 2 1 304.478 2.992 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000341262928 269054848 /nfs/dbraw/zinc/05/48/48/269054848.db2.gz BEJURSVJSDKSGD-OWCLPIDISA-N 2 1 303.450 2.500 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000341262928 269054849 /nfs/dbraw/zinc/05/48/49/269054849.db2.gz BEJURSVJSDKSGD-OWCLPIDISA-N 2 1 303.450 2.500 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2cccc(OC)c2)C1 ZINC000154678103 426450755 /nfs/dbraw/zinc/45/07/55/426450755.db2.gz IPSHIMRUKDBRFC-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2cccc(OC)c2)C1 ZINC000154678103 426450758 /nfs/dbraw/zinc/45/07/58/426450758.db2.gz IPSHIMRUKDBRFC-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cccc(OC)c2)CC1 ZINC000177213199 426455880 /nfs/dbraw/zinc/45/58/80/426455880.db2.gz ITRUXNQWCMKPTO-KRWDZBQOSA-N 2 1 319.493 2.764 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2cccc(OC)c2)CC1 ZINC000177213217 426456002 /nfs/dbraw/zinc/45/60/02/426456002.db2.gz ITRUXNQWCMKPTO-QGZVFWFLSA-N 2 1 319.493 2.764 20 0 DFADMP COc1ccc(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000155202464 426466497 /nfs/dbraw/zinc/46/64/97/426466497.db2.gz STIASULHHRFELC-ZBFHGGJFSA-N 2 1 306.450 2.566 20 0 DFADMP C[NH+]1CCC([NH2+]CCCc2nc(-c3ccncc3)cs2)CC1 ZINC000177334362 426468326 /nfs/dbraw/zinc/46/83/26/426468326.db2.gz PHGUEOOFLCBLNR-UHFFFAOYSA-N 2 1 316.474 2.822 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000124156156 426472621 /nfs/dbraw/zinc/47/26/21/426472621.db2.gz JIHVUPYMPKDRIW-HOCLYGCPSA-N 2 1 304.434 2.668 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000124167257 426473992 /nfs/dbraw/zinc/47/39/92/426473992.db2.gz YNDVWOWOSZUSLX-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@@H+]1CC[C@@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000124167257 426473993 /nfs/dbraw/zinc/47/39/93/426473993.db2.gz YNDVWOWOSZUSLX-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@H+]1CC[C@@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000124167257 426473995 /nfs/dbraw/zinc/47/39/95/426473995.db2.gz YNDVWOWOSZUSLX-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP CC[NH+]1CC[C@@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000124167257 426473997 /nfs/dbraw/zinc/47/39/97/426473997.db2.gz YNDVWOWOSZUSLX-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000124381598 426482843 /nfs/dbraw/zinc/48/28/43/426482843.db2.gz HZKHQUCHEIXNPG-ZIAGYGMSSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c1 ZINC000124381598 426482846 /nfs/dbraw/zinc/48/28/46/426482846.db2.gz HZKHQUCHEIXNPG-ZIAGYGMSSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101648905 426485625 /nfs/dbraw/zinc/48/56/25/426485625.db2.gz AIDROUOLONDNSG-ZNMIVQPWSA-N 2 1 309.498 2.627 20 0 DFADMP CC(C)[C@@H](C[N@H+](C)Cc1ccccc1)NC1CC[NH+](C)CC1 ZINC000186573860 426554343 /nfs/dbraw/zinc/55/43/43/426554343.db2.gz KEMAEFZAAZKOTJ-LJQANCHMSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](C)CC1 ZINC000186573860 426554348 /nfs/dbraw/zinc/55/43/48/426554348.db2.gz KEMAEFZAAZKOTJ-LJQANCHMSA-N 2 1 303.494 2.827 20 0 DFADMP COC[C@H]([NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000272364365 426507921 /nfs/dbraw/zinc/50/79/21/426507921.db2.gz SPBSZPJDGWXSGD-LZQZEXGQSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H](NCCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272395603 426515514 /nfs/dbraw/zinc/51/55/14/426515514.db2.gz DGPPHVKTBMFAJU-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272395603 426515520 /nfs/dbraw/zinc/51/55/20/426515520.db2.gz DGPPHVKTBMFAJU-AZUAARDMSA-N 3 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272395603 426515524 /nfs/dbraw/zinc/51/55/24/426515524.db2.gz DGPPHVKTBMFAJU-AZUAARDMSA-N 3 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)CCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272536758 426551584 /nfs/dbraw/zinc/55/15/84/426551584.db2.gz BXJCVZKVISRJNB-FUHWJXTLSA-N 2 1 304.478 2.895 20 0 DFADMP CC[NH+](CC)CCN[C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272365338 426506023 /nfs/dbraw/zinc/50/60/23/426506023.db2.gz OBBSNNPJHVJEHH-PKOBYXMFSA-N 2 1 303.494 2.828 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000272580057 426566168 /nfs/dbraw/zinc/56/61/68/426566168.db2.gz VBLZRYCDMGCJPB-SPUZQDLCSA-N 2 1 302.462 2.646 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000272580057 426566173 /nfs/dbraw/zinc/56/61/73/426566173.db2.gz VBLZRYCDMGCJPB-SPUZQDLCSA-N 2 1 302.462 2.646 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)c1cn[nH]c1 ZINC000272602685 426570306 /nfs/dbraw/zinc/57/03/06/426570306.db2.gz URUICGMQZVVDJR-IAAVTCLWSA-N 2 1 310.445 2.971 20 0 DFADMP C[N@H+]1CC[C@@H]2CCN(Cc3cn4cc(Cl)ccc4n3)[C@H]2C1 ZINC000272640796 426573003 /nfs/dbraw/zinc/57/30/03/426573003.db2.gz OHBYIEQHRRZVAU-DOMZBBRYSA-N 2 1 304.825 2.514 20 0 DFADMP Cn1cncc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000273052987 426583235 /nfs/dbraw/zinc/58/32/35/426583235.db2.gz KUXYJBBUTKCWIJ-DFQSSKMNSA-N 2 1 324.472 2.810 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000186729245 426587519 /nfs/dbraw/zinc/58/75/19/426587519.db2.gz XCPLCVGKGMIGHG-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCNC(=O)C(C)C)cc1 ZINC000178224256 426588427 /nfs/dbraw/zinc/58/84/27/426588427.db2.gz CLAALXZJSHPPEI-AWEZNQCLSA-N 2 1 314.433 2.604 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc(OC)c1O ZINC000289156547 426595184 /nfs/dbraw/zinc/59/51/84/426595184.db2.gz DHQYKEBKVFHIGQ-UHFFFAOYSA-N 2 1 320.433 2.516 20 0 DFADMP CCc1ccc(CC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000265216641 426599145 /nfs/dbraw/zinc/59/91/45/426599145.db2.gz NHVIRWODTHPTTN-QGZVFWFLSA-N 2 1 318.505 2.816 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2ccnc2C)cc1 ZINC000178293918 426601037 /nfs/dbraw/zinc/60/10/37/426601037.db2.gz BWWINXPNILUYMP-KRWDZBQOSA-N 2 1 313.401 2.643 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCC(=O)Nc1ccccc1 ZINC000178303715 426601271 /nfs/dbraw/zinc/60/12/71/426601271.db2.gz UOMWTSJBOPTTCS-KRWDZBQOSA-N 2 1 312.417 2.685 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCC(=O)Nc1ccccc1 ZINC000178303715 426601274 /nfs/dbraw/zinc/60/12/74/426601274.db2.gz UOMWTSJBOPTTCS-KRWDZBQOSA-N 2 1 312.417 2.685 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H](CNC1CC[NH+](C)CC1)C1CC1 ZINC000186880466 426603393 /nfs/dbraw/zinc/60/33/93/426603393.db2.gz GJOPAJJRKOLHIC-IBGZPJMESA-N 2 1 301.478 2.581 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000288972090 426560389 /nfs/dbraw/zinc/56/03/89/426560389.db2.gz BSVQGTNQZFKFNM-GOSISDBHSA-N 2 1 315.461 2.561 20 0 DFADMP C[N@@H+]1CCC[C@H]2CN(c3cc[nH+]cc3Br)CC[C@H]21 ZINC000229267869 426637547 /nfs/dbraw/zinc/63/75/47/426637547.db2.gz IXSLEMNKLFLOCN-WCQYABFASA-N 2 1 310.239 2.765 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(c3cc[nH+]cc3Br)CC[C@H]21 ZINC000229267869 426637554 /nfs/dbraw/zinc/63/75/54/426637554.db2.gz IXSLEMNKLFLOCN-WCQYABFASA-N 2 1 310.239 2.765 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCCCO3)CC2)cc1 ZINC000236592553 426665603 /nfs/dbraw/zinc/66/56/03/426665603.db2.gz PJGCIEZEJLQDEB-IBGZPJMESA-N 2 1 302.462 2.852 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+][C@H]1CCOC2(CCSCC2)C1 ZINC000273560222 426687140 /nfs/dbraw/zinc/68/71/40/426687140.db2.gz DUTANAHCVQQHHZ-HNNXBMFYSA-N 2 1 321.490 2.682 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(O)cc(C(F)(F)F)c2)CC1 ZINC000289468685 426667024 /nfs/dbraw/zinc/66/70/24/426667024.db2.gz IVYVISNLHPQRBA-UHFFFAOYSA-N 2 1 300.324 2.763 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)C1(C[NH3+])CCCC1)c1ccccc1Cl ZINC000178662196 426673813 /nfs/dbraw/zinc/67/38/13/426673813.db2.gz RYZAZKKLLTXLSD-HNNXBMFYSA-N 2 1 323.868 2.578 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccc2c(c1)OCO2 ZINC000178707182 426680897 /nfs/dbraw/zinc/68/08/97/426680897.db2.gz OLGQTGCMSYJKAH-CHWSQXEVSA-N 2 1 301.390 2.907 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000178707701 426681225 /nfs/dbraw/zinc/68/12/25/426681225.db2.gz XJRNSSUDUVSHNX-LSDHHAIUSA-N 2 1 324.432 2.759 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CCn2ccnc2)CC1 ZINC000280907645 426684252 /nfs/dbraw/zinc/68/42/52/426684252.db2.gz FLTPDYCZMPSQPD-UHFFFAOYSA-N 2 1 312.461 2.916 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@H]2CCCC[NH2+]2)cc1 ZINC000178845603 426706419 /nfs/dbraw/zinc/70/64/19/426706419.db2.gz RRDXXSXIMVULIQ-SUMWQHHRSA-N 2 1 312.417 2.500 20 0 DFADMP C[C@@H]1CC[N@H+](CCc2cncn2C)CCN1Cc1ccccc1 ZINC000290140866 426700896 /nfs/dbraw/zinc/70/08/96/426700896.db2.gz VSHDAGBWWAHKAU-QGZVFWFLSA-N 2 1 312.461 2.559 20 0 DFADMP C[C@@H]1CC[N@@H+](CCc2cncn2C)CCN1Cc1ccccc1 ZINC000290140866 426700898 /nfs/dbraw/zinc/70/08/98/426700898.db2.gz VSHDAGBWWAHKAU-QGZVFWFLSA-N 2 1 312.461 2.559 20 0 DFADMP Cc1noc([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000179314657 426780550 /nfs/dbraw/zinc/78/05/50/426780550.db2.gz HFSJLRCXUYNSGB-OAHLLOKOSA-N 2 1 303.410 2.543 20 0 DFADMP Cc1noc([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000179314657 426780555 /nfs/dbraw/zinc/78/05/55/426780555.db2.gz HFSJLRCXUYNSGB-OAHLLOKOSA-N 2 1 303.410 2.543 20 0 DFADMP CC[C@@H](c1ccccc1)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000245917285 426783251 /nfs/dbraw/zinc/78/32/51/426783251.db2.gz LKHAWDIIBVZRGN-MOPGFXCFSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000245952526 426787569 /nfs/dbraw/zinc/78/75/69/426787569.db2.gz PRLRLUXOSZMLPW-DARIXABFSA-N 2 1 302.462 2.910 20 0 DFADMP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000188790247 426788902 /nfs/dbraw/zinc/78/89/02/426788902.db2.gz ZWNGPZGGHPBTMR-MOPGFXCFSA-N 2 1 320.452 2.990 20 0 DFADMP CCOC(=O)[C@H](CC)N(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000266619383 426751637 /nfs/dbraw/zinc/75/16/37/426751637.db2.gz KRMXXSMQHQYGDU-ROUUACIJSA-N 2 1 318.461 2.782 20 0 DFADMP Cc1cccc(NC[C@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000245575647 426752301 /nfs/dbraw/zinc/75/23/01/426752301.db2.gz AXDYKRBAGZXKHG-IAGOWNOFSA-N 2 1 302.466 2.608 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000245575647 426752304 /nfs/dbraw/zinc/75/23/04/426752304.db2.gz AXDYKRBAGZXKHG-IAGOWNOFSA-N 2 1 302.466 2.608 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000245575647 426752309 /nfs/dbraw/zinc/75/23/09/426752309.db2.gz AXDYKRBAGZXKHG-IAGOWNOFSA-N 2 1 302.466 2.608 20 0 DFADMP Cn1cc(CN[C@H]2c3ccccc3CC[C@@H]2n2ccnc2)cn1 ZINC000290542199 426789445 /nfs/dbraw/zinc/78/94/45/426789445.db2.gz RHGAIVCRZXSTDW-ROUUACIJSA-N 2 1 307.401 2.635 20 0 DFADMP CC(C)[C@@H](CO)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000245704243 426765011 /nfs/dbraw/zinc/76/50/11/426765011.db2.gz RVHFJGRQJGGJHM-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H](CO)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000245704243 426765014 /nfs/dbraw/zinc/76/50/14/426765014.db2.gz RVHFJGRQJGGJHM-RTBURBONSA-N 2 1 304.478 2.990 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1F ZINC000274624578 426805321 /nfs/dbraw/zinc/80/53/21/426805321.db2.gz GMYMXTYGPBIKLD-JLJPHGGASA-N 2 1 306.425 2.697 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CCC[NH2+][C@@H]3C2)cc1F ZINC000274624578 426805325 /nfs/dbraw/zinc/80/53/25/426805325.db2.gz GMYMXTYGPBIKLD-JLJPHGGASA-N 2 1 306.425 2.697 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN([C@@H](C)c2ccc(C(=O)OC)o2)C1 ZINC000267030584 426814381 /nfs/dbraw/zinc/81/43/81/426814381.db2.gz AUYCMDWKFMVDEP-KBPBESRZSA-N 2 1 308.422 2.791 20 0 DFADMP C[C@H](NC(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000290679908 426817928 /nfs/dbraw/zinc/81/79/28/426817928.db2.gz HRXFRWYECGELJL-UOVPBQLFSA-N 2 1 317.477 2.524 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@]1(O)CCSC1 ZINC000267104245 426825013 /nfs/dbraw/zinc/82/50/13/426825013.db2.gz XCRGHQUNJZAIOR-SFHVURJKSA-N 2 1 322.518 2.602 20 0 DFADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COC2(CCCCCC2)O1 ZINC000180007510 426830567 /nfs/dbraw/zinc/83/05/67/426830567.db2.gz DFOVEILDPBBDKX-ZACQAIPSSA-N 2 1 308.466 2.669 20 0 DFADMP CCc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000189245645 426833124 /nfs/dbraw/zinc/83/31/24/426833124.db2.gz RDQGXLQYIXGMJW-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1cccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000189245645 426833127 /nfs/dbraw/zinc/83/31/27/426833127.db2.gz RDQGXLQYIXGMJW-FQEVSTJZSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282145462 426838861 /nfs/dbraw/zinc/83/88/61/426838861.db2.gz CJBVZEHLDOCCRN-INIZCTEOSA-N 2 1 303.494 2.926 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1OCCCO1 ZINC000274836983 426846047 /nfs/dbraw/zinc/84/60/47/426846047.db2.gz NNOPFTOAAJCQEX-FUHWJXTLSA-N 2 1 318.461 2.640 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)o1 ZINC000267241635 426854544 /nfs/dbraw/zinc/85/45/44/426854544.db2.gz HGFXCGOFLYFKTL-UHFFFAOYSA-N 2 1 314.429 2.835 20 0 DFADMP CO[C@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000188831646 426792451 /nfs/dbraw/zinc/79/24/51/426792451.db2.gz HNWYQWOEZFWLMS-MOPGFXCFSA-N 2 1 302.462 2.851 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)c2sccc2C[NH+](C)C)cc1 ZINC000295340067 426915924 /nfs/dbraw/zinc/91/59/24/426915924.db2.gz YEJXCQAQDNRNDD-UHFFFAOYSA-N 2 1 303.431 2.781 20 0 DFADMP CCn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000267283422 426861870 /nfs/dbraw/zinc/86/18/70/426861870.db2.gz PLPFROBNRWRWBM-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)cn1 ZINC000267283422 426861875 /nfs/dbraw/zinc/86/18/75/426861875.db2.gz PLPFROBNRWRWBM-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000267283422 426861880 /nfs/dbraw/zinc/86/18/80/426861880.db2.gz PLPFROBNRWRWBM-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000267283422 426861884 /nfs/dbraw/zinc/86/18/84/426861884.db2.gz PLPFROBNRWRWBM-QFBILLFUSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000267283425 426862269 /nfs/dbraw/zinc/86/22/69/426862269.db2.gz PLPFROBNRWRWBM-VQIMIIECSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000267283425 426862275 /nfs/dbraw/zinc/86/22/75/426862275.db2.gz PLPFROBNRWRWBM-VQIMIIECSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000267283425 426862280 /nfs/dbraw/zinc/86/22/80/426862280.db2.gz PLPFROBNRWRWBM-VQIMIIECSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000267283425 426862285 /nfs/dbraw/zinc/86/22/85/426862285.db2.gz PLPFROBNRWRWBM-VQIMIIECSA-N 2 1 312.461 2.903 20 0 DFADMP CCc1cc(N2CCN(c3[nH]cc[nH+]3)CC2)c2ccccc2[nH+]1 ZINC000290901018 426865131 /nfs/dbraw/zinc/86/51/31/426865131.db2.gz FDWWLCJPHHNWCY-UHFFFAOYSA-N 2 1 307.401 2.847 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)CC[N@@H+]1C ZINC000189503765 426872658 /nfs/dbraw/zinc/87/26/58/426872658.db2.gz HKIRBFGTJILFJY-QWRGUYRKSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@H]1C[C@@H]([NH+](C)CCOCC(F)(F)C(F)(F)F)CC[N@H+]1C ZINC000189503765 426872664 /nfs/dbraw/zinc/87/26/64/426872664.db2.gz HKIRBFGTJILFJY-QWRGUYRKSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCOCC(F)(F)C(F)(F)F)CC[NH+]1C ZINC000189503765 426872670 /nfs/dbraw/zinc/87/26/70/426872670.db2.gz HKIRBFGTJILFJY-QWRGUYRKSA-N 2 1 318.330 2.615 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)(F)F)CC[NH+]1C ZINC000189503765 426872675 /nfs/dbraw/zinc/87/26/75/426872675.db2.gz HKIRBFGTJILFJY-QWRGUYRKSA-N 2 1 318.330 2.615 20 0 DFADMP Cc1cc(C)cc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000282349998 426890112 /nfs/dbraw/zinc/89/01/12/426890112.db2.gz PEUPBKCLVRRTHC-KRWDZBQOSA-N 2 1 303.494 2.980 20 0 DFADMP CC(C)c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282380040 426896077 /nfs/dbraw/zinc/89/60/77/426896077.db2.gz OKTCWBIWVSGMMA-UHFFFAOYSA-N 2 1 303.494 2.926 20 0 DFADMP c1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000275690971 426899626 /nfs/dbraw/zinc/89/96/26/426899626.db2.gz WYGLXIFEBBGNSA-XWTMOSNGSA-N 2 1 301.434 2.518 20 0 DFADMP Clc1cc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000337648097 426899824 /nfs/dbraw/zinc/89/98/24/426899824.db2.gz YZQZTBOIUCNSHE-KBPBESRZSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000337648097 426899831 /nfs/dbraw/zinc/89/98/31/426899831.db2.gz YZQZTBOIUCNSHE-KBPBESRZSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc2c1OCCO2 ZINC000337648097 426899842 /nfs/dbraw/zinc/89/98/42/426899842.db2.gz YZQZTBOIUCNSHE-KBPBESRZSA-N 2 1 322.836 2.828 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)C2 ZINC000282397566 426901069 /nfs/dbraw/zinc/90/10/69/426901069.db2.gz RLWPLWAPKIEHDT-VQIMIIECSA-N 2 1 315.505 2.844 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]C1CCN(Cc3ccccc3)CC1)C2 ZINC000275704944 426901861 /nfs/dbraw/zinc/90/18/61/426901861.db2.gz XVZHHGGAJSNOEY-SFHVURJKSA-N 2 1 324.472 2.700 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2cc(Cl)ccc2F)CC1(C)C ZINC000282399260 426902458 /nfs/dbraw/zinc/90/24/58/426902458.db2.gz PNAHIZCZXIJSNC-UHFFFAOYSA-N 2 1 313.848 2.595 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000316681066 426949762 /nfs/dbraw/zinc/94/97/62/426949762.db2.gz ZAMDQQKWKLLLGW-ROUUACIJSA-N 2 1 300.446 2.628 20 0 DFADMP c1cc(CC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCC2 ZINC000316681065 426950233 /nfs/dbraw/zinc/95/02/33/426950233.db2.gz ZAMDQQKWKLLLGW-QZTJIDSGSA-N 2 1 300.446 2.628 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247556494 426950598 /nfs/dbraw/zinc/95/05/98/426950598.db2.gz QJONVRXCSIBDTB-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000247556494 426950606 /nfs/dbraw/zinc/95/06/06/426950606.db2.gz QJONVRXCSIBDTB-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000247556494 426950612 /nfs/dbraw/zinc/95/06/12/426950612.db2.gz QJONVRXCSIBDTB-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OC[C@@H](O)C[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000247556494 426950619 /nfs/dbraw/zinc/95/06/19/426950619.db2.gz QJONVRXCSIBDTB-MSOLQXFVSA-N 2 1 320.477 2.541 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000320860361 426965884 /nfs/dbraw/zinc/96/58/84/426965884.db2.gz XZGSOVQBFHAFSR-QXAKKESOSA-N 2 1 316.445 2.599 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000320860361 426965890 /nfs/dbraw/zinc/96/58/90/426965890.db2.gz XZGSOVQBFHAFSR-QXAKKESOSA-N 2 1 316.445 2.599 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000247995160 426970270 /nfs/dbraw/zinc/97/02/70/426970270.db2.gz JVPHIVISLZFTGN-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000247995160 426970277 /nfs/dbraw/zinc/97/02/77/426970277.db2.gz JVPHIVISLZFTGN-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000247995160 426970283 /nfs/dbraw/zinc/97/02/83/426970283.db2.gz JVPHIVISLZFTGN-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000247995160 426970289 /nfs/dbraw/zinc/97/02/89/426970289.db2.gz JVPHIVISLZFTGN-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000247995160 426970293 /nfs/dbraw/zinc/97/02/93/426970293.db2.gz JVPHIVISLZFTGN-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000247991364 426970904 /nfs/dbraw/zinc/97/09/04/426970904.db2.gz JLNRNVBVMQOZHZ-CABCVRRESA-N 2 1 324.440 2.722 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2)[C@@H](C)C1 ZINC000248055977 426978257 /nfs/dbraw/zinc/97/82/57/426978257.db2.gz XJWLJQIFVFTGKV-HKUYNNGSSA-N 2 1 304.478 2.956 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](O)c1ccc(Cl)cc1 ZINC000291763709 426979005 /nfs/dbraw/zinc/97/90/05/426979005.db2.gz RTQVCPZRNKLVFG-MRXNPFEDSA-N 2 1 305.809 2.624 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000314821096 426932541 /nfs/dbraw/zinc/93/25/41/426932541.db2.gz ZHGFFIJFNBHSGU-MAUKXSAKSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc(OC)c1 ZINC000314821096 426932545 /nfs/dbraw/zinc/93/25/45/426932545.db2.gz ZHGFFIJFNBHSGU-MAUKXSAKSA-N 2 1 304.434 2.668 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H]1CCCO1 ZINC000276191450 427002895 /nfs/dbraw/zinc/00/28/95/427002895.db2.gz IHCQMYOMZRFFFG-OGWHTMIXSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccoc1 ZINC000248457797 427005267 /nfs/dbraw/zinc/00/52/67/427005267.db2.gz UEXNWHATSNJQAC-RDTXWAMCSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)CCN1C ZINC000190052856 427011556 /nfs/dbraw/zinc/01/15/56/427011556.db2.gz MQJAXCCQFSPXAL-CRAIPNDOSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)CC[N@@H+]1C ZINC000190052856 427011560 /nfs/dbraw/zinc/01/15/60/427011560.db2.gz MQJAXCCQFSPXAL-CRAIPNDOSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCCc2ccc3c(c2)CCO3)CC[N@H+]1C ZINC000190052856 427011565 /nfs/dbraw/zinc/01/15/65/427011565.db2.gz MQJAXCCQFSPXAL-CRAIPNDOSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCCc2ccc3c(c2)CCO3)CC[NH+]1C ZINC000190052856 427011580 /nfs/dbraw/zinc/01/15/80/427011580.db2.gz MQJAXCCQFSPXAL-CRAIPNDOSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCCc2ccc3c(c2)CCO3)CC[NH+]1C ZINC000190052856 427011584 /nfs/dbraw/zinc/01/15/84/427011584.db2.gz MQJAXCCQFSPXAL-CRAIPNDOSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@H]([NH2+][C@@H]1Cc2ccccc2[C@H]1O)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248553650 427014213 /nfs/dbraw/zinc/01/42/13/427014213.db2.gz HMFHDOJPXZBETO-YDGZCJQPSA-N 2 1 314.473 2.887 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248592998 427017997 /nfs/dbraw/zinc/01/79/97/427017997.db2.gz RULDFLQLFMDPOL-QRFRQXIXSA-N 2 1 316.489 2.833 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248613396 427022791 /nfs/dbraw/zinc/02/27/91/427022791.db2.gz YDFGPSOEFIFEMV-MOPGFXCFSA-N 2 1 304.478 2.644 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H](O)CCc2ccccc2)C1 ZINC000248613396 427022799 /nfs/dbraw/zinc/02/27/99/427022799.db2.gz YDFGPSOEFIFEMV-MOPGFXCFSA-N 2 1 304.478 2.644 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC000295958566 427029199 /nfs/dbraw/zinc/02/91/99/427029199.db2.gz HQRKRNMWDDKUJZ-ROUUACIJSA-N 2 1 317.477 2.662 20 0 DFADMP COCCC[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000182235164 427034645 /nfs/dbraw/zinc/03/46/45/427034645.db2.gz VEWLUFGMIITVII-QFBILLFUSA-N 2 1 320.477 2.548 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000248840690 427050396 /nfs/dbraw/zinc/05/03/96/427050396.db2.gz QOVIURSKKAFCCC-MOPGFXCFSA-N 2 1 324.509 2.974 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCO[C@H]3CCCCO3)C2)CC1 ZINC000248840690 427050402 /nfs/dbraw/zinc/05/04/02/427050402.db2.gz QOVIURSKKAFCCC-MOPGFXCFSA-N 2 1 324.509 2.974 20 0 DFADMP C[C@H]1C[NH+](CC2CC[NH+](Cc3ccc(F)cn3)CC2)C[C@H](C)O1 ZINC000276393806 427053446 /nfs/dbraw/zinc/05/34/46/427053446.db2.gz SGVQKJCDSXHZKV-GJZGRUSLSA-N 2 1 321.440 2.542 20 0 DFADMP CC(C)n1ncc2cc(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)cnc21 ZINC000292037602 427065518 /nfs/dbraw/zinc/06/55/18/427065518.db2.gz ABNCBHRCGFXMFS-GOSISDBHSA-N 2 1 313.449 2.540 20 0 DFADMP O[C@@H](CCc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182414031 427071430 /nfs/dbraw/zinc/07/14/30/427071430.db2.gz LTJZAKCUCRPPCO-UXHICEINSA-N 2 1 316.489 2.788 20 0 DFADMP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000337990309 427079032 /nfs/dbraw/zinc/07/90/32/427079032.db2.gz AYLCCTYDHSWDRD-WFASDCNBSA-N 2 1 318.383 2.539 20 0 DFADMP Cc1ccc2c(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cc(=O)oc2c1 ZINC000292116403 427095942 /nfs/dbraw/zinc/09/59/42/427095942.db2.gz JQPIRQQEQHPUQD-LJQANCHMSA-N 2 1 312.413 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)[C@@H](C)O1 ZINC000296264839 427129255 /nfs/dbraw/zinc/12/92/55/427129255.db2.gz DKXSWEXKVKULTG-GPMSIDNRSA-N 2 1 302.462 2.849 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](Cc1ccccn1)c1cccnc1 ZINC000338025247 427099812 /nfs/dbraw/zinc/09/98/12/427099812.db2.gz YHAWMVKWFFLAHR-IBGZPJMESA-N 2 1 321.428 2.945 20 0 DFADMP C[C@H](C(=O)NCCC[NH+]1CCCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338029771 427099850 /nfs/dbraw/zinc/09/98/50/427099850.db2.gz OYLFRQURXYACRH-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000249274612 427100960 /nfs/dbraw/zinc/10/09/60/427100960.db2.gz JTFUIEIKABOBRH-ZIFCJYIRSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338046830 427110903 /nfs/dbraw/zinc/11/09/03/427110903.db2.gz LNRWEJUEUQZZMR-MULDDASSSA-N 2 1 323.525 2.730 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338046830 427110908 /nfs/dbraw/zinc/11/09/08/427110908.db2.gz LNRWEJUEUQZZMR-MULDDASSSA-N 2 1 323.525 2.730 20 0 DFADMP C[C@@H](C[NH+]1C[C@H](C)C[C@H](C)C1)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338046830 427110909 /nfs/dbraw/zinc/11/09/09/427110909.db2.gz LNRWEJUEUQZZMR-MULDDASSSA-N 2 1 323.525 2.730 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1cccc(OC(F)F)c1 ZINC000268809907 427125733 /nfs/dbraw/zinc/12/57/33/427125733.db2.gz KNYHITGYSKASLE-CYBMUJFWSA-N 2 1 316.392 2.907 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1C[C@@H](C)n2ccnc21 ZINC000296272854 427133065 /nfs/dbraw/zinc/13/30/65/427133065.db2.gz CFJRIPSOAIGHBN-DOMZBBRYSA-N 2 1 313.405 2.541 20 0 DFADMP COc1cc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1SC ZINC000268832819 427136448 /nfs/dbraw/zinc/13/64/48/427136448.db2.gz KYASHDUJRKTYEX-ZFWWWQNUSA-N 2 1 324.490 2.524 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)[C@H](C)C1 ZINC000268902942 427138802 /nfs/dbraw/zinc/13/88/02/427138802.db2.gz DEXZCPWOITWQBE-BYNIBCHQSA-N 2 1 308.491 2.805 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC000249747251 427142802 /nfs/dbraw/zinc/14/28/02/427142802.db2.gz OHDAABJCWFXIJV-CVEARBPZSA-N 2 1 317.477 2.598 20 0 DFADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000284142389 427142874 /nfs/dbraw/zinc/14/28/74/427142874.db2.gz OVHKNILALBDTOR-UFYCRDLUSA-N 2 1 314.473 2.958 20 0 DFADMP CC1=CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2CO)CC1 ZINC000284142389 427142879 /nfs/dbraw/zinc/14/28/79/427142879.db2.gz OVHKNILALBDTOR-UFYCRDLUSA-N 2 1 314.473 2.958 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1 ZINC000269054748 427149643 /nfs/dbraw/zinc/14/96/43/427149643.db2.gz WKVPEMWPEBAHNG-IEBWSBKVSA-N 3 1 303.494 2.971 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCC[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000269054748 427149648 /nfs/dbraw/zinc/14/96/48/427149648.db2.gz WKVPEMWPEBAHNG-IEBWSBKVSA-N 3 1 303.494 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1=CCCOC1 ZINC000269280950 427159643 /nfs/dbraw/zinc/15/96/43/427159643.db2.gz KLHCCHGIWCYGFO-VQIMIIECSA-N 2 1 300.446 2.833 20 0 DFADMP C[C@H]([NH2+]Cc1cscn1)c1cccc(OCC[NH+](C)C)c1 ZINC000127316480 271033007 /nfs/dbraw/zinc/03/30/07/271033007.db2.gz VIDFAULIHULMAC-ZDUSSCGKSA-N 2 1 305.447 2.934 20 0 DFADMP C(C[N@@H+](C[C@H]1CCCO1)[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC000162113959 271081069 /nfs/dbraw/zinc/08/10/69/271081069.db2.gz AEXMUNUFIGGSGJ-IAGOWNOFSA-N 2 1 312.523 2.849 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2(C[NH3+])CCCC2)C1 ZINC000166446874 271096544 /nfs/dbraw/zinc/09/65/44/271096544.db2.gz ALPUOOVQRQKOPC-SJORKVTESA-N 2 1 321.509 2.619 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)c2ccccc2F)CC1 ZINC000264309064 271272575 /nfs/dbraw/zinc/27/25/75/271272575.db2.gz ZJDQJWVGWJQQFK-GJZGRUSLSA-N 2 1 308.441 2.911 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1ccccc1-n1ccnn1 ZINC000296404671 427172750 /nfs/dbraw/zinc/17/27/50/427172750.db2.gz KRRPPLXUSLXOTC-WZYMTQMTSA-N 2 1 311.433 2.543 20 0 DFADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285617924 271342102 /nfs/dbraw/zinc/34/21/02/271342102.db2.gz WIDUGFIMBVUFNS-JWTNVVGKSA-N 2 1 300.446 2.721 20 0 DFADMP C[NH+](CCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285617924 271342107 /nfs/dbraw/zinc/34/21/07/271342107.db2.gz WIDUGFIMBVUFNS-JWTNVVGKSA-N 2 1 300.446 2.721 20 0 DFADMP C[NH+](CCc1ccc2c(c1)CCO2)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285617924 271342111 /nfs/dbraw/zinc/34/21/11/271342111.db2.gz WIDUGFIMBVUFNS-JWTNVVGKSA-N 2 1 300.446 2.721 20 0 DFADMP FC(F)(F)c1cccc(CC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000297428490 271359389 /nfs/dbraw/zinc/35/93/89/271359389.db2.gz NCGRKBQOHVIQJB-UHFFFAOYSA-N 2 1 313.367 2.859 20 0 DFADMP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@@H+]1CCc2ccccc2C1 ZINC000303261291 271363851 /nfs/dbraw/zinc/36/38/51/271363851.db2.gz OIDPJSPQVBNXPZ-INIZCTEOSA-N 2 1 314.477 2.689 20 0 DFADMP C[C@@H](CNC(=[NH2+])N1CCC(C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000303261291 271363856 /nfs/dbraw/zinc/36/38/56/271363856.db2.gz OIDPJSPQVBNXPZ-INIZCTEOSA-N 2 1 314.477 2.689 20 0 DFADMP [NH3+]C1(c2noc([C@H]3CCC[N@H+]3C3CCOCC3)n2)CCCCC1 ZINC000333642675 271383053 /nfs/dbraw/zinc/38/30/53/271383053.db2.gz XOZAPGCWBNQAOA-CQSZACIVSA-N 2 1 320.437 2.504 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)no1 ZINC000333860833 271397195 /nfs/dbraw/zinc/39/71/95/271397195.db2.gz PVFGAGOJTGUEPW-RDJZCZTQSA-N 2 1 321.465 2.690 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](CC(C)C)CC2)cn1 ZINC000190743087 427173335 /nfs/dbraw/zinc/17/33/35/427173335.db2.gz IICJJWBANYSZHU-UHFFFAOYSA-N 2 1 304.482 2.748 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)cn1 ZINC000190793978 427181438 /nfs/dbraw/zinc/18/14/38/427181438.db2.gz VQTNSXVWZNZPII-MRXNPFEDSA-N 2 1 304.482 2.748 20 0 DFADMP c1ccc(C[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c2cccnc2)nc1 ZINC000338195009 427186704 /nfs/dbraw/zinc/18/67/04/427186704.db2.gz KDGTZMVSVCFIOW-JXFKEZNVSA-N 2 1 322.456 2.834 20 0 DFADMP CC[C@H](C)N1CCN(C(=O)Nc2ccc3nc(C)cn3c2)CC1 ZINC000296465746 427190014 /nfs/dbraw/zinc/19/00/14/427190014.db2.gz LGTNEDQOHHFANS-AWEZNQCLSA-N 2 1 315.421 2.591 20 0 DFADMP c1ccc(C[C@H](N[C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)nc1 ZINC000338211724 427193743 /nfs/dbraw/zinc/19/37/43/427193743.db2.gz JINMYVHYTXBXHN-UFYCRDLUSA-N 2 1 322.456 2.977 20 0 DFADMP c1ccc(C[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)nc1 ZINC000338211724 427193750 /nfs/dbraw/zinc/19/37/50/427193750.db2.gz JINMYVHYTXBXHN-UFYCRDLUSA-N 2 1 322.456 2.977 20 0 DFADMP c1ccc(C[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)nc1 ZINC000338211724 427193755 /nfs/dbraw/zinc/19/37/55/427193755.db2.gz JINMYVHYTXBXHN-UFYCRDLUSA-N 2 1 322.456 2.977 20 0 DFADMP CCOCC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130037 427207139 /nfs/dbraw/zinc/20/71/39/427207139.db2.gz AOALRBVAGMHLFR-FHWLQOOXSA-N 2 1 302.462 2.913 20 0 DFADMP CCCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183148496 427209836 /nfs/dbraw/zinc/20/98/36/427209836.db2.gz KTSYENGEHYIMES-UONOGXRCSA-N 2 1 314.433 2.746 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554258 427214889 /nfs/dbraw/zinc/21/48/89/427214889.db2.gz AZUZUBOHKMQSDS-CRAIPNDOSA-N 2 1 311.429 2.857 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554258 427214894 /nfs/dbraw/zinc/21/48/94/427214894.db2.gz AZUZUBOHKMQSDS-CRAIPNDOSA-N 2 1 311.429 2.857 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cc4ccccc4[nH]c3=O)CC[C@H]21 ZINC000253554258 427214901 /nfs/dbraw/zinc/21/49/01/427214901.db2.gz AZUZUBOHKMQSDS-CRAIPNDOSA-N 2 1 311.429 2.857 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000296730443 427229989 /nfs/dbraw/zinc/22/99/89/427229989.db2.gz IOXJSTYNTWGEAU-RBUKOAKNSA-N 2 1 311.429 2.707 20 0 DFADMP CN(CC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1)C1CC[NH+](C)CC1 ZINC000338279778 427232006 /nfs/dbraw/zinc/23/20/06/427232006.db2.gz ARKWYEOBOMNCBW-OAHLLOKOSA-N 2 1 317.468 2.770 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1CCCC(F)(F)C1 ZINC000338284017 427235009 /nfs/dbraw/zinc/23/50/09/427235009.db2.gz JBYROFVWVCECCE-FPCVCCKLSA-N 2 1 316.436 2.995 20 0 DFADMP Cc1sccc1C[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000293215965 427249353 /nfs/dbraw/zinc/24/93/53/427249353.db2.gz JOWQKNZNYYFEGP-SFHVURJKSA-N 2 1 316.470 2.913 20 0 DFADMP CC(C)SCC[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000338309605 427252802 /nfs/dbraw/zinc/25/28/02/427252802.db2.gz PZKGOANFDBQTAS-GOSISDBHSA-N 2 1 322.518 2.697 20 0 DFADMP CC(C)SCC[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000338309605 427252809 /nfs/dbraw/zinc/25/28/09/427252809.db2.gz PZKGOANFDBQTAS-GOSISDBHSA-N 2 1 322.518 2.697 20 0 DFADMP CC(C)SCC[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000338309605 427252814 /nfs/dbraw/zinc/25/28/14/427252814.db2.gz PZKGOANFDBQTAS-GOSISDBHSA-N 2 1 322.518 2.697 20 0 DFADMP CC(C)SCC[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000338309605 427252821 /nfs/dbraw/zinc/25/28/21/427252821.db2.gz PZKGOANFDBQTAS-GOSISDBHSA-N 2 1 322.518 2.697 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCO[C@@H]2CCCCO2)C1 ZINC000338318750 427254405 /nfs/dbraw/zinc/25/44/05/427254405.db2.gz RIDGJHWSNVNZTE-ZWKOTPCHSA-N 2 1 310.482 2.583 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338318750 427254411 /nfs/dbraw/zinc/25/44/11/427254411.db2.gz RIDGJHWSNVNZTE-ZWKOTPCHSA-N 2 1 310.482 2.583 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCO[C@@H]2CCCCO2)C1 ZINC000338318750 427254416 /nfs/dbraw/zinc/25/44/16/427254416.db2.gz RIDGJHWSNVNZTE-ZWKOTPCHSA-N 2 1 310.482 2.583 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2)[C@@H]1c1ccccc1 ZINC000285536041 427262850 /nfs/dbraw/zinc/26/28/50/427262850.db2.gz HQRPXCXZTQCVFD-ROUUACIJSA-N 2 1 320.396 2.510 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000269723818 427264062 /nfs/dbraw/zinc/26/40/62/427264062.db2.gz VBYLTXMPUCQJOF-INIZCTEOSA-N 2 1 309.360 2.525 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C[C@H](O)c1ccc(F)cc1F ZINC000269723818 427264068 /nfs/dbraw/zinc/26/40/68/427264068.db2.gz VBYLTXMPUCQJOF-INIZCTEOSA-N 2 1 309.360 2.525 20 0 DFADMP COc1c(C)c[nH+]c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1C ZINC000285566465 427276888 /nfs/dbraw/zinc/27/68/88/427276888.db2.gz SBXSATJNLDRYDP-XYPWUTKMSA-N 2 1 303.450 2.764 20 0 DFADMP COc1c(C)c[nH+]c(CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1C ZINC000285566465 427276893 /nfs/dbraw/zinc/27/68/93/427276893.db2.gz SBXSATJNLDRYDP-XYPWUTKMSA-N 2 1 303.450 2.764 20 0 DFADMP Cn1cc(CC[N@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)cn1 ZINC000285643784 427299541 /nfs/dbraw/zinc/29/95/41/427299541.db2.gz RXDDNUIXOQFWEQ-FQEVSTJZSA-N 2 1 324.472 2.561 20 0 DFADMP Cn1cc(CC[NH+]2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285643784 427299546 /nfs/dbraw/zinc/29/95/46/427299546.db2.gz RXDDNUIXOQFWEQ-FQEVSTJZSA-N 2 1 324.472 2.561 20 0 DFADMP Cn1cc(CC[NH+]2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)cn1 ZINC000285643784 427299553 /nfs/dbraw/zinc/29/95/53/427299553.db2.gz RXDDNUIXOQFWEQ-FQEVSTJZSA-N 2 1 324.472 2.561 20 0 DFADMP CC(C)[C@@H](O)C[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000293363400 427300249 /nfs/dbraw/zinc/30/02/49/427300249.db2.gz ONLWHPSZOBVGRS-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000293363400 427300257 /nfs/dbraw/zinc/30/02/57/427300257.db2.gz ONLWHPSZOBVGRS-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)[C@@H](O)C[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000293363400 427300265 /nfs/dbraw/zinc/30/02/65/427300265.db2.gz ONLWHPSZOBVGRS-OALUTQOASA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](Cc1ccc(-n2cccn2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285671362 427305819 /nfs/dbraw/zinc/30/58/19/427305819.db2.gz ZSTUFMHKTMAKEQ-DFNIBXOVSA-N 2 1 310.445 2.929 20 0 DFADMP C[NH+](Cc1ccc(-n2cccn2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285671362 427305824 /nfs/dbraw/zinc/30/58/24/427305824.db2.gz ZSTUFMHKTMAKEQ-DFNIBXOVSA-N 2 1 310.445 2.929 20 0 DFADMP C[NH+](Cc1ccc(-n2cccn2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285671362 427305830 /nfs/dbraw/zinc/30/58/30/427305830.db2.gz ZSTUFMHKTMAKEQ-DFNIBXOVSA-N 2 1 310.445 2.929 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[NH+](C)C1 ZINC000277825917 427332193 /nfs/dbraw/zinc/33/21/93/427332193.db2.gz LFQLXJBYRPZCIN-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[N@H+](C)C1 ZINC000277825917 427332195 /nfs/dbraw/zinc/33/21/95/427332195.db2.gz LFQLXJBYRPZCIN-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@@H]1CC[N@@H+](C)C1 ZINC000277825917 427332201 /nfs/dbraw/zinc/33/22/01/427332201.db2.gz LFQLXJBYRPZCIN-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccccc1-n1ccnn1 ZINC000285778151 427335434 /nfs/dbraw/zinc/33/54/34/427335434.db2.gz UAEUCZCGWPNYAN-LESCRADOSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12)c1ccccc1-n1ccnn1 ZINC000285778151 427335439 /nfs/dbraw/zinc/33/54/39/427335439.db2.gz UAEUCZCGWPNYAN-LESCRADOSA-N 2 1 311.433 2.545 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000191398921 427340254 /nfs/dbraw/zinc/34/02/54/427340254.db2.gz MKLZECMESOMCKG-WBVHZDCISA-N 2 1 304.482 2.841 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@H](C)C2)cn1 ZINC000191398921 427340264 /nfs/dbraw/zinc/34/02/64/427340264.db2.gz MKLZECMESOMCKG-WBVHZDCISA-N 2 1 304.482 2.841 20 0 DFADMP COc1ccccc1/C=C/C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000277865768 427342540 /nfs/dbraw/zinc/34/25/40/427342540.db2.gz NJCDTIQGVSEODP-MPNRVQBSSA-N 2 1 318.461 2.799 20 0 DFADMP COC(=O)[C@@H](C)[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCC1 ZINC000191648051 427397547 /nfs/dbraw/zinc/39/75/47/427397547.db2.gz RNEYNLVEPBCEFB-CQSZACIVSA-N 2 1 313.401 2.788 20 0 DFADMP Fc1ccccc1N1CC[C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000293678772 427404563 /nfs/dbraw/zinc/40/45/63/427404563.db2.gz NCAJNRYKAWBBKQ-HRCADAONSA-N 2 1 303.425 2.621 20 0 DFADMP NC(=O)[C@@H]1CCC[N@H+](CCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000331442986 427410223 /nfs/dbraw/zinc/41/02/23/427410223.db2.gz VZDCGJCDHXBQRX-HIFRSBDPSA-N 2 1 305.422 2.884 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCc3occc32)C1 ZINC000331442986 427410228 /nfs/dbraw/zinc/41/02/28/427410228.db2.gz VZDCGJCDHXBQRX-HIFRSBDPSA-N 2 1 305.422 2.884 20 0 DFADMP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000293711885 427413686 /nfs/dbraw/zinc/41/36/86/427413686.db2.gz MWMLCVWTXVBKQC-CABCVRRESA-N 2 1 313.367 2.859 20 0 DFADMP CC(C)[C@@H](C[N@@H+](C)Cc1ccccc1)NC(=O)C[NH+](C)C(C)C ZINC000183913306 427357436 /nfs/dbraw/zinc/35/74/36/427357436.db2.gz TYJZKSQRSLIXLI-GOSISDBHSA-N 2 1 319.493 2.599 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)c1 ZINC000285883053 427362467 /nfs/dbraw/zinc/36/24/67/427362467.db2.gz ZPQANBJGUPDCTF-STQMWFEESA-N 2 1 310.463 2.917 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H]2CCC[C@@H]2CCF)C1 ZINC000285903156 427368527 /nfs/dbraw/zinc/36/85/27/427368527.db2.gz BKIPTAKWOGOBON-LZQZEXGQSA-N 2 1 320.452 2.871 20 0 DFADMP C[C@H](CCNCc1cn2cccnc2n1)[N@@H+](C)Cc1ccccc1 ZINC000297805989 427459471 /nfs/dbraw/zinc/45/94/71/427459471.db2.gz XTUDGGJOVQRCAJ-MRXNPFEDSA-N 2 1 323.444 2.730 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1O ZINC000297926180 427486523 /nfs/dbraw/zinc/48/65/23/427486523.db2.gz UDKVDJUCDXLLAP-HOTGVXAUSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)ccc1O ZINC000297926180 427486527 /nfs/dbraw/zinc/48/65/27/427486527.db2.gz UDKVDJUCDXLLAP-HOTGVXAUSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1O ZINC000297926180 427486533 /nfs/dbraw/zinc/48/65/33/427486533.db2.gz UDKVDJUCDXLLAP-HOTGVXAUSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)ccc1O ZINC000297926180 427486540 /nfs/dbraw/zinc/48/65/40/427486540.db2.gz UDKVDJUCDXLLAP-HOTGVXAUSA-N 2 1 304.434 2.707 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC1(C[NH3+])CCCCC1 ZINC000184228440 427420255 /nfs/dbraw/zinc/42/02/55/427420255.db2.gz VLJAMUWNCALMPD-JKSUJKDBSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224633 427420509 /nfs/dbraw/zinc/42/05/09/427420509.db2.gz DRLRCESNJLHKRZ-KRWDZBQOSA-N 2 1 323.525 2.914 20 0 DFADMP [NH3+]CC1(CC(=O)N2CCC[N@H+](C3CCCC3)CC2)CCCCC1 ZINC000184231168 427421100 /nfs/dbraw/zinc/42/11/00/427421100.db2.gz XASNKBJGMBCXMW-UHFFFAOYSA-N 2 1 321.509 2.763 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184224384 427421577 /nfs/dbraw/zinc/42/15/77/427421577.db2.gz OWXFCDSXNZDUAW-CALCHBBNSA-N 2 1 323.525 2.770 20 0 DFADMP CC1(C)[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278317175 427427920 /nfs/dbraw/zinc/42/79/20/427427920.db2.gz UMDGVCGZZPNGOX-FHWLQOOXSA-N 2 1 314.473 2.838 20 0 DFADMP CC1(C)[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)[C@@H]2CCO[C@@H]21 ZINC000278317175 427427924 /nfs/dbraw/zinc/42/79/24/427427924.db2.gz UMDGVCGZZPNGOX-FHWLQOOXSA-N 2 1 314.473 2.838 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000338689100 427441795 /nfs/dbraw/zinc/44/17/95/427441795.db2.gz QVESUJLQOLCCSX-ATZDWAIDSA-N 2 1 302.462 2.879 20 0 DFADMP Cc1nn2c(CN(C)CC[C@@H]3CCCC[N@H+]3C)c(C)nc2s1 ZINC000271201726 427446667 /nfs/dbraw/zinc/44/66/67/427446667.db2.gz PYRKNXVGXAFIPN-AWEZNQCLSA-N 2 1 321.494 2.714 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000263250070 427447302 /nfs/dbraw/zinc/44/73/02/427447302.db2.gz JGZDRLSGBONASK-SFHVURJKSA-N 2 1 305.466 2.661 20 0 DFADMP COc1cccc(OC)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000286348586 427498984 /nfs/dbraw/zinc/49/89/84/427498984.db2.gz FMGDGQWYLALUAG-CYBMUJFWSA-N 2 1 303.406 2.635 20 0 DFADMP CCN(C)CC[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286371036 427507088 /nfs/dbraw/zinc/50/70/88/427507088.db2.gz ZQGGMGQYQRIFDH-UHFFFAOYSA-N 3 1 303.494 2.971 20 0 DFADMP CSc1ccc([C@@H](CNc2cc(C)[nH+]c(C)n2)[NH+](C)C)cc1 ZINC000338836235 427513952 /nfs/dbraw/zinc/51/39/52/427513952.db2.gz JPEGTUJIVVNRIG-MRXNPFEDSA-N 2 1 316.474 3.530 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccno1 ZINC000271405290 427526270 /nfs/dbraw/zinc/52/62/70/427526270.db2.gz XTXAOOYQIQJGPW-UHFFFAOYSA-N 2 1 300.406 2.808 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000286442470 427529796 /nfs/dbraw/zinc/52/97/96/427529796.db2.gz JKPYAVZBPXYRHR-FUHWJXTLSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000286442470 427529802 /nfs/dbraw/zinc/52/98/02/427529802.db2.gz JKPYAVZBPXYRHR-FUHWJXTLSA-N 2 1 312.461 2.729 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cccc(C(F)(F)F)c1 ZINC000298195978 427530474 /nfs/dbraw/zinc/53/04/74/427530474.db2.gz CRAVJRLNVGLDCK-DOMZBBRYSA-N 2 1 316.367 2.813 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2ccccc2C1 ZINC000298224954 427538984 /nfs/dbraw/zinc/53/89/84/427538984.db2.gz ASNYUUYXBQXXBE-INIZCTEOSA-N 2 1 313.489 2.650 20 0 DFADMP C[C@@](O)(C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000263932639 427613680 /nfs/dbraw/zinc/61/36/80/427613680.db2.gz ZAPKMETZVNKIBH-LJQANCHMSA-N 2 1 302.462 2.844 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC(C)(C)OCCO)cc1 ZINC000287481749 427621834 /nfs/dbraw/zinc/62/18/34/427621834.db2.gz XDAJBJMIHSJFRJ-CQSZACIVSA-N 2 1 317.433 2.619 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccnc1 ZINC000271488651 427557076 /nfs/dbraw/zinc/55/70/76/427557076.db2.gz KEEXELJQVPMDFI-BMGDILEWSA-N 2 1 303.450 2.500 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000263763234 427561081 /nfs/dbraw/zinc/56/10/81/427561081.db2.gz VDPRFADZCIKPLU-UHFFFAOYSA-N 2 1 304.434 2.762 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccc3c(c2)OCCO3)CC1 ZINC000263763234 427561085 /nfs/dbraw/zinc/56/10/85/427561085.db2.gz VDPRFADZCIKPLU-UHFFFAOYSA-N 2 1 304.434 2.762 20 0 DFADMP CCOCC[NH+](C)Cc1ccc(C[N@H+](C)CCOCC)cc1 ZINC000271519764 427568286 /nfs/dbraw/zinc/56/82/86/427568286.db2.gz VQBKBUQTCJWZQZ-UHFFFAOYSA-N 2 1 308.466 2.623 20 0 DFADMP CCc1oc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1C(=O)OC ZINC000338943239 427575947 /nfs/dbraw/zinc/57/59/47/427575947.db2.gz JCCRKPNALQNWDX-LBPRGKRZSA-N 2 1 319.405 2.559 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000287317043 427576587 /nfs/dbraw/zinc/57/65/87/427576587.db2.gz DGPCLTQZKPAENS-HUUCEWRRSA-N 2 1 324.432 2.759 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CCCn3cc[nH+]c3C)c(C)n2n1 ZINC000271544053 427577427 /nfs/dbraw/zinc/57/74/27/427577427.db2.gz ZKKAMQVJKAUSPH-ZDUSSCGKSA-N 2 1 312.421 2.592 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)CC(=O)N2C ZINC000271826976 427588347 /nfs/dbraw/zinc/58/83/47/427588347.db2.gz OUXGGCPUQUOUSA-PBHICJAKSA-N 2 1 315.461 2.731 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000192702287 427588756 /nfs/dbraw/zinc/58/87/56/427588756.db2.gz RCYHNKUVWSJPOP-VKJFTORMSA-N 2 1 315.461 2.632 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271913561 427595900 /nfs/dbraw/zinc/59/59/00/427595900.db2.gz YKNLZTKNIMRYPT-CQSZACIVSA-N 2 1 302.418 2.588 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+](C)Cc1ccccc1 ZINC000192851517 427623899 /nfs/dbraw/zinc/62/38/99/427623899.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+](C)Cc1ccccc1 ZINC000192851517 427623907 /nfs/dbraw/zinc/62/39/07/427623907.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+](C)Cc1ccccc1 ZINC000192851517 427623916 /nfs/dbraw/zinc/62/39/16/427623916.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)N(C)Cc1ccccc1 ZINC000192851517 427623920 /nfs/dbraw/zinc/62/39/20/427623920.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N(C)Cc1ccccc1 ZINC000192851517 427623927 /nfs/dbraw/zinc/62/39/27/427623927.db2.gz VBAPCTFMVRYCJD-BPIHKTFHSA-N 2 1 301.478 2.722 20 0 DFADMP Cc1cnn(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000192969206 427644722 /nfs/dbraw/zinc/64/47/22/427644722.db2.gz CPQVUAQAXFHDLX-IHWFROFDSA-N 2 1 324.472 2.977 20 0 DFADMP O[C@@H](Cc1cccc(Cl)c1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000287586288 427646671 /nfs/dbraw/zinc/64/66/71/427646671.db2.gz CNXAVUHMNCGZBU-AEFFLSMTSA-N 2 1 322.880 2.661 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000287586824 427646957 /nfs/dbraw/zinc/64/69/57/427646957.db2.gz RJWLQEINJCKPNX-WBVHZDCISA-N 2 1 306.450 2.674 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000339066551 427656950 /nfs/dbraw/zinc/65/69/50/427656950.db2.gz FUYNYUUJYXZTCD-MFKMUULPSA-N 2 1 302.340 2.857 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(F)c1 ZINC000339066551 427656954 /nfs/dbraw/zinc/65/69/54/427656954.db2.gz FUYNYUUJYXZTCD-MFKMUULPSA-N 2 1 302.340 2.857 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000339068604 427657059 /nfs/dbraw/zinc/65/70/59/427657059.db2.gz RTGKWZCBOOWHRA-MSOLQXFVSA-N 2 1 314.477 2.788 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339068604 427657063 /nfs/dbraw/zinc/65/70/63/427657063.db2.gz RTGKWZCBOOWHRA-MSOLQXFVSA-N 2 1 314.477 2.788 20 0 DFADMP c1cn(-c2ccccc2)nc1CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298601375 427658256 /nfs/dbraw/zinc/65/82/56/427658256.db2.gz ZDCLAVARYIOAQE-UHFFFAOYSA-N 2 1 310.445 2.631 20 0 DFADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000193081590 427663105 /nfs/dbraw/zinc/66/31/05/427663105.db2.gz RYYDATLTVWTLAQ-UHFFFAOYSA-N 2 1 315.461 2.741 20 0 DFADMP CCCN(CC[NH+]1CCCCC1)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000342787922 272053452 /nfs/dbraw/zinc/05/34/52/272053452.db2.gz OEDXRMQZDCTKKR-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP CCCCCNC(=O)C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000342859654 272062774 /nfs/dbraw/zinc/06/27/74/272062774.db2.gz KFUNXLALEUKBTH-UHFFFAOYSA-N 2 1 320.481 2.600 20 0 DFADMP Cc1cccc(C)c1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000342928048 272066838 /nfs/dbraw/zinc/06/68/38/272066838.db2.gz PMNWLHRIMBMBTJ-NZSAHSFTSA-N 2 1 302.462 2.987 20 0 DFADMP CC[N@H+]1C[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000342954525 272070883 /nfs/dbraw/zinc/07/08/83/272070883.db2.gz YJDBJFIFWJZALA-YTQUADARSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@@H+]1C[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000342954525 272070886 /nfs/dbraw/zinc/07/08/86/272070886.db2.gz YJDBJFIFWJZALA-YTQUADARSA-N 2 1 301.478 2.753 20 0 DFADMP c1ccc(SCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000343265538 272108879 /nfs/dbraw/zinc/10/88/79/272108879.db2.gz DFEMTOZZOZTRRH-KURKYZTESA-N 2 1 320.502 2.916 20 0 DFADMP C[N@@H+](CCCc1ccc2c(c1)CCO2)C[C@H]1CCC[NH+](C)C1 ZINC000193239720 427676763 /nfs/dbraw/zinc/67/67/63/427676763.db2.gz AQGYUINXPDATNH-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@H]1CCC[N@H+](C)C1 ZINC000193239720 427676767 /nfs/dbraw/zinc/67/67/67/427676767.db2.gz AQGYUINXPDATNH-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP C[NH+](CCCc1ccc2c(c1)CCO2)C[C@H]1CCC[N@@H+](C)C1 ZINC000193239720 427676774 /nfs/dbraw/zinc/67/67/74/427676774.db2.gz AQGYUINXPDATNH-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000343494086 272158721 /nfs/dbraw/zinc/15/87/21/272158721.db2.gz IURFFSUAJZHCKI-FUHIMQAGSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]1C[N@H+](C)C[C@H]1NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000343494086 272158723 /nfs/dbraw/zinc/15/87/23/272158723.db2.gz IURFFSUAJZHCKI-FUHIMQAGSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000343494086 272158725 /nfs/dbraw/zinc/15/87/25/272158725.db2.gz IURFFSUAJZHCKI-FUHIMQAGSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]1C[NH+](C)C[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000343494086 272158727 /nfs/dbraw/zinc/15/87/27/272158727.db2.gz IURFFSUAJZHCKI-FUHIMQAGSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@H]1C[NH+](C)C[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000343494086 272158729 /nfs/dbraw/zinc/15/87/29/272158729.db2.gz IURFFSUAJZHCKI-FUHIMQAGSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000343494088 272158886 /nfs/dbraw/zinc/15/88/86/272158886.db2.gz IURFFSUAJZHCKI-MBOZVWFJSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000343494088 272158888 /nfs/dbraw/zinc/15/88/88/272158888.db2.gz IURFFSUAJZHCKI-MBOZVWFJSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1NCc1ccccc1C[NH+]1CCC[C@@H](C)C1 ZINC000343494088 272158891 /nfs/dbraw/zinc/15/88/91/272158891.db2.gz IURFFSUAJZHCKI-MBOZVWFJSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1NCc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000343494088 272158895 /nfs/dbraw/zinc/15/88/95/272158895.db2.gz IURFFSUAJZHCKI-MBOZVWFJSA-N 2 1 315.505 2.958 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000343494088 272158897 /nfs/dbraw/zinc/15/88/97/272158897.db2.gz IURFFSUAJZHCKI-MBOZVWFJSA-N 2 1 315.505 2.958 20 0 DFADMP COC(=O)[C@H]1CCCC[C@]1(C)[NH2+]CCCCn1cc[nH+]c1C ZINC000343625663 272187582 /nfs/dbraw/zinc/18/75/82/272187582.db2.gz KVSQGUDBSPEBEK-WBVHZDCISA-N 2 1 307.438 2.683 20 0 DFADMP C[C@H]([NH2+]CC1=CCCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272218235 427675957 /nfs/dbraw/zinc/67/59/57/427675957.db2.gz RMJYHPVYMQDUOI-LPHOPBHVSA-N 2 1 300.446 2.833 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)c(C[NH+](C)C)c1 ZINC000343684731 272200984 /nfs/dbraw/zinc/20/09/84/272200984.db2.gz UJAYBKGFHCPJDM-GASCZTMLSA-N 2 1 303.450 2.868 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000343720479 272208039 /nfs/dbraw/zinc/20/80/39/272208039.db2.gz VFRVHNIEIONIPF-KZNAEPCWSA-N 2 1 307.526 2.913 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC000343820932 272226196 /nfs/dbraw/zinc/22/61/96/272226196.db2.gz IGHVDZRAAGOKEH-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@H](c1ccccc1)[N@@H+](C)CC ZINC000343820932 272226198 /nfs/dbraw/zinc/22/61/98/272226198.db2.gz IGHVDZRAAGOKEH-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000344087307 272260103 /nfs/dbraw/zinc/26/01/03/272260103.db2.gz IKKLYHKJVMNXBI-AOIWGVFYSA-N 2 1 324.472 2.871 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000295069431 427681678 /nfs/dbraw/zinc/68/16/78/427681678.db2.gz PBRMMCLTZZXCJE-APWZRJJASA-N 2 1 320.452 2.583 20 0 DFADMP CCC[N@H+](CCc1ccccc1F)CCN1CC[NH+](CC)CC1 ZINC000344121159 272267484 /nfs/dbraw/zinc/26/74/84/272267484.db2.gz DOYPVTZRZHYSDM-UHFFFAOYSA-N 2 1 321.484 2.718 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1cc(F)ccc1C ZINC000344121951 272267854 /nfs/dbraw/zinc/26/78/54/272267854.db2.gz FMGGLLJDLPFZDW-UHFFFAOYSA-N 2 1 321.484 2.984 20 0 DFADMP CCC[N@H+](CCc1ccccc1)CCN1CC[NH+](CC)CC1 ZINC000344124504 272269174 /nfs/dbraw/zinc/26/91/74/272269174.db2.gz GBHXZWQATMATGN-UHFFFAOYSA-N 2 1 303.494 2.579 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000344219770 272290141 /nfs/dbraw/zinc/29/01/41/272290141.db2.gz ZNLAUDGITTXZKA-YVSFHVDLSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000344219770 272290143 /nfs/dbraw/zinc/29/01/43/272290143.db2.gz ZNLAUDGITTXZKA-YVSFHVDLSA-N 2 1 323.525 2.589 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000344219770 272290145 /nfs/dbraw/zinc/29/01/45/272290145.db2.gz ZNLAUDGITTXZKA-YVSFHVDLSA-N 2 1 323.525 2.589 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccccc2F)CC1 ZINC000344281010 272303940 /nfs/dbraw/zinc/30/39/40/272303940.db2.gz AAWSXZPNNLTRDR-KSSFIOAISA-N 2 1 324.440 2.602 20 0 DFADMP COc1cc(F)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000344290647 272305059 /nfs/dbraw/zinc/30/50/59/272305059.db2.gz CENOAIYNFXMTGX-LBPRGKRZSA-N 2 1 308.397 2.755 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H](C)[C@H]3CCCOC3)sc2C1 ZINC000344350325 272318583 /nfs/dbraw/zinc/31/85/83/272318583.db2.gz ICTBADOFGKQQRS-KGLIPLIRSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H](C)[C@H]3CCCOC3)sc2C1 ZINC000344350325 272318585 /nfs/dbraw/zinc/31/85/85/272318585.db2.gz ICTBADOFGKQQRS-KGLIPLIRSA-N 2 1 323.506 2.814 20 0 DFADMP C[C@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344374055 272323337 /nfs/dbraw/zinc/32/33/37/272323337.db2.gz SXVSXBSKAOWXLJ-MDZRGWNJSA-N 2 1 301.478 2.752 20 0 DFADMP Cc1cc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)ccn1 ZINC000344424133 272329771 /nfs/dbraw/zinc/32/97/71/272329771.db2.gz TYMJQWNYBDMAES-YJBOKZPZSA-N 2 1 324.428 2.596 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1CCC[C@@H](C)C1 ZINC000344698834 272358007 /nfs/dbraw/zinc/35/80/07/272358007.db2.gz YXSBSZCPMXBJAC-RYRKJORJSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)[N@H+]1CCC[C@@H](C)C1 ZINC000344698834 272358009 /nfs/dbraw/zinc/35/80/09/272358009.db2.gz YXSBSZCPMXBJAC-RYRKJORJSA-N 2 1 317.477 2.526 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2ccc(C)cc2OCCCOC)C1 ZINC000344924667 272386033 /nfs/dbraw/zinc/38/60/33/272386033.db2.gz WGPIZZZUFJSBGE-AEFFLSMTSA-N 2 1 320.477 2.840 20 0 DFADMP COc1ccnc(CN(C)Cc2[nH+]cc(C)c(OC)c2C)c1 ZINC000295093407 427688281 /nfs/dbraw/zinc/68/82/81/427688281.db2.gz FNUMNSSXMMPOLQ-UHFFFAOYSA-N 2 1 301.390 2.743 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279510111 427689767 /nfs/dbraw/zinc/68/97/67/427689767.db2.gz NMTJEDJTTIIDCR-OAHLLOKOSA-N 2 1 300.805 2.586 20 0 DFADMP C[C@H]([NH2+]C1CCN(C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272270103 427690824 /nfs/dbraw/zinc/69/08/24/427690824.db2.gz BCZCWBDVRREMFY-FUHWJXTLSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](NC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272270103 427690829 /nfs/dbraw/zinc/69/08/29/427690829.db2.gz BCZCWBDVRREMFY-FUHWJXTLSA-N 3 1 301.478 2.581 20 0 DFADMP C[C@H](NC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272270103 427690834 /nfs/dbraw/zinc/69/08/34/427690834.db2.gz BCZCWBDVRREMFY-FUHWJXTLSA-N 3 1 301.478 2.581 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)no1 ZINC000333882783 427700938 /nfs/dbraw/zinc/70/09/38/427700938.db2.gz UYBUJOAJJIEKHG-GOEBONIOSA-N 2 1 321.465 2.690 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CCCC(=O)OC)C2)CC1 ZINC000339163402 427711739 /nfs/dbraw/zinc/71/17/39/427711739.db2.gz DMHLKZIUKZZYDV-NVXWUHKLSA-N 2 1 310.482 2.962 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c(F)cn1 ZINC000287906148 427713011 /nfs/dbraw/zinc/71/30/11/427713011.db2.gz ZWVQXSZMTFYJFH-VXGBXAGGSA-N 2 1 306.385 2.721 20 0 DFADMP C[NH+](C)C1CC[NH+](CCC(=O)Nc2ccccc2Cl)CC1 ZINC000193822583 427716801 /nfs/dbraw/zinc/71/68/01/427716801.db2.gz CYFNKASQLHDWMJ-UHFFFAOYSA-N 2 1 309.841 2.695 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000287921921 427717371 /nfs/dbraw/zinc/71/73/71/427717371.db2.gz WDEJOYGGUMWLPD-XOKHGSTOSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000287921921 427717373 /nfs/dbraw/zinc/71/73/73/427717373.db2.gz WDEJOYGGUMWLPD-XOKHGSTOSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000287921921 427717377 /nfs/dbraw/zinc/71/73/77/427717377.db2.gz WDEJOYGGUMWLPD-XOKHGSTOSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H](O)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000287921921 427717380 /nfs/dbraw/zinc/71/73/80/427717380.db2.gz WDEJOYGGUMWLPD-XOKHGSTOSA-N 2 1 310.869 2.658 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000336839992 427755346 /nfs/dbraw/zinc/75/53/46/427755346.db2.gz VGHQVHHKNGWUKK-HNNXBMFYSA-N 2 1 305.447 2.934 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)C[C@@H]1CCCO1 ZINC000336839992 427755348 /nfs/dbraw/zinc/75/53/48/427755348.db2.gz VGHQVHHKNGWUKK-HNNXBMFYSA-N 2 1 305.447 2.934 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000336865737 427766819 /nfs/dbraw/zinc/76/68/19/427766819.db2.gz LGOQDKKHZLAFAE-GBGSKMMNSA-N 2 1 306.494 2.636 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C12CC3CC(CC(C3)C1)C2 ZINC000336865737 427766820 /nfs/dbraw/zinc/76/68/20/427766820.db2.gz LGOQDKKHZLAFAE-GBGSKMMNSA-N 2 1 306.494 2.636 20 0 DFADMP C[C@@H](C(=O)NC[C@@H](c1ccsc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000299684760 427767025 /nfs/dbraw/zinc/76/70/25/427767025.db2.gz SFQIFRWKFZKPBV-FQLMCAECSA-N 2 1 323.506 2.728 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](CC)[NH+](C)Cc1ccccc1 ZINC000339418245 427770910 /nfs/dbraw/zinc/77/09/10/427770910.db2.gz BNTRPGLJHYDFSC-SJLPKXTDSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H](CC)[N@H+](C)Cc1ccccc1 ZINC000339418245 427770911 /nfs/dbraw/zinc/77/09/11/427770911.db2.gz BNTRPGLJHYDFSC-SJLPKXTDSA-N 2 1 319.493 2.744 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000339418245 427770913 /nfs/dbraw/zinc/77/09/13/427770913.db2.gz BNTRPGLJHYDFSC-SJLPKXTDSA-N 2 1 319.493 2.744 20 0 DFADMP CCN(CCC[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2)CC(F)(F)F ZINC000339427688 427772420 /nfs/dbraw/zinc/77/24/20/427772420.db2.gz JGNAOOPJYNZONK-OAHLLOKOSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(CCC[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2)CC(F)(F)F ZINC000339427688 427772423 /nfs/dbraw/zinc/77/24/23/427772423.db2.gz JGNAOOPJYNZONK-OAHLLOKOSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(CCC[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2)CC(F)(F)F ZINC000339427688 427772424 /nfs/dbraw/zinc/77/24/24/427772424.db2.gz JGNAOOPJYNZONK-OAHLLOKOSA-N 2 1 321.431 2.678 20 0 DFADMP Cc1cc(NCCCN2C[C@H](C)O[C@@H](C)C2)nc(C(C)C)n1 ZINC000301098820 427775411 /nfs/dbraw/zinc/77/54/11/427775411.db2.gz WXWJESVADDOWQF-GJZGRUSLSA-N 2 1 306.454 2.820 20 0 DFADMP CC1CC[NH+](CCNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000339263737 427744763 /nfs/dbraw/zinc/74/47/63/427744763.db2.gz JZMHEJLXTUGHRT-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657495 427745836 /nfs/dbraw/zinc/74/58/36/427745836.db2.gz SAAGRGNFMNHMDF-DZJNRPSUSA-N 2 1 302.462 2.646 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC000194539757 427747055 /nfs/dbraw/zinc/74/70/55/427747055.db2.gz DCXYLFOUPLKRLD-BETUJISGSA-N 2 1 300.324 2.579 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC000194539757 427747063 /nfs/dbraw/zinc/74/70/63/427747063.db2.gz DCXYLFOUPLKRLD-BETUJISGSA-N 2 1 300.324 2.579 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC000194539757 427747067 /nfs/dbraw/zinc/74/70/67/427747067.db2.gz DCXYLFOUPLKRLD-BETUJISGSA-N 2 1 300.324 2.579 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OC(F)(F)F)c3)C[C@@H]2C1 ZINC000194539757 427747070 /nfs/dbraw/zinc/74/70/70/427747070.db2.gz DCXYLFOUPLKRLD-BETUJISGSA-N 2 1 300.324 2.579 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@]3(O)CCC[C@@H]3C)sc2C1 ZINC000339555593 427792217 /nfs/dbraw/zinc/79/22/17/427792217.db2.gz OHLQMNXLMXMKBF-SUMWQHHRSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@]3(O)CCC[C@@H]3C)sc2C1 ZINC000339555593 427792218 /nfs/dbraw/zinc/79/22/18/427792218.db2.gz OHLQMNXLMXMKBF-SUMWQHHRSA-N 2 1 323.506 2.550 20 0 DFADMP CC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1C[C@H](C)O ZINC000301406588 427795095 /nfs/dbraw/zinc/79/50/95/427795095.db2.gz MFAMZHPOMIIOAW-DZGCQCFKSA-N 2 1 317.408 2.655 20 0 DFADMP CC[C@@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1C[C@H](C)O ZINC000301406588 427795097 /nfs/dbraw/zinc/79/50/97/427795097.db2.gz MFAMZHPOMIIOAW-DZGCQCFKSA-N 2 1 317.408 2.655 20 0 DFADMP CN(CC[NH+](C)C)c1cc[nH+]c2cc(Br)ccc21 ZINC000301478718 427798901 /nfs/dbraw/zinc/79/89/01/427798901.db2.gz QMWCTLZBIBGGNW-UHFFFAOYSA-N 2 1 308.223 2.995 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301726719 427818898 /nfs/dbraw/zinc/81/88/98/427818898.db2.gz NDQMKSJSWKBZMQ-GASCZTMLSA-N 2 1 305.470 2.713 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNc2nc(N(C)C)cc[nH+]2)C1 ZINC000301726719 427818900 /nfs/dbraw/zinc/81/89/00/427818900.db2.gz NDQMKSJSWKBZMQ-GASCZTMLSA-N 2 1 305.470 2.713 20 0 DFADMP Cc1cccc(NCCN2CCN(c3ccc(F)cc3)CC2)n1 ZINC000301729910 427819881 /nfs/dbraw/zinc/81/98/81/427819881.db2.gz RXNWABWJZUTSSO-UHFFFAOYSA-N 2 1 314.408 2.763 20 0 DFADMP CN(C)c1cc[nH+]c(NC2CCC([NH+]3CCCCC3)CC2)n1 ZINC000301799363 427825281 /nfs/dbraw/zinc/82/52/81/427825281.db2.gz ZREDEKQEEPOSMC-UHFFFAOYSA-N 2 1 303.454 2.752 20 0 DFADMP CCc1cc(N2CC[N@@H+](C[C@@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301802689 427825424 /nfs/dbraw/zinc/82/54/24/427825424.db2.gz UAKOTIYPPOLMQP-LSDHHAIUSA-N 2 1 313.445 2.689 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC2CC[NH+](CC(C)C)CC2)n1 ZINC000301820845 427827200 /nfs/dbraw/zinc/82/72/00/427827200.db2.gz LSUPAXXFMLBFOK-UHFFFAOYSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](CO)c1cccc(Cl)c1F ZINC000337279930 427830388 /nfs/dbraw/zinc/83/03/88/427830388.db2.gz UWAUFPXOYMFFIF-AWEZNQCLSA-N 2 1 311.788 2.697 20 0 DFADMP CCC[C@H](C)[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337288021 427831748 /nfs/dbraw/zinc/83/17/48/427831748.db2.gz AMFWCOJNUNIKJH-YESZJQIVSA-N 2 1 312.498 2.765 20 0 DFADMP CCC[C@H](C)[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000337288021 427831750 /nfs/dbraw/zinc/83/17/50/427831750.db2.gz AMFWCOJNUNIKJH-YESZJQIVSA-N 2 1 312.498 2.765 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000339845791 427847940 /nfs/dbraw/zinc/84/79/40/427847940.db2.gz JAHOGKPYFSSLIK-QGZVFWFLSA-N 2 1 301.478 2.916 20 0 DFADMP C[NH+](C)C1CN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000302121759 427848968 /nfs/dbraw/zinc/84/89/68/427848968.db2.gz GNMCOMPWKPSLJL-UHFFFAOYSA-N 2 1 306.207 2.748 20 0 DFADMP CC[C@@H]1CN(c2nc(C)cc3ccccc32)CC[N@H+]1C[C@@H](C)O ZINC000302041572 427849025 /nfs/dbraw/zinc/84/90/25/427849025.db2.gz LPPFXVVWGHZTOD-NVXWUHKLSA-N 2 1 313.445 2.825 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@H]2OCC[N@@H+](C)[C@@H]2C1 ZINC000302075797 427850142 /nfs/dbraw/zinc/85/01/42/427850142.db2.gz XVMATNCMLBALHW-QZTJIDSGSA-N 2 1 311.429 2.625 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](CC(F)(F)F)C2)CC1 ZINC000337353549 427860487 /nfs/dbraw/zinc/86/04/87/427860487.db2.gz AIHPSYVAIMWABY-HNNXBMFYSA-N 2 1 321.431 2.677 20 0 DFADMP C[NH+]1CCN(CCC(C)(C)[NH2+]Cc2csc(C3CC3)n2)CC1 ZINC000349791804 427865471 /nfs/dbraw/zinc/86/54/71/427865471.db2.gz PWXKDUBYUDUTEF-UHFFFAOYSA-N 2 1 322.522 2.526 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCC3)C1 ZINC000340517975 427873192 /nfs/dbraw/zinc/87/31/92/427873192.db2.gz OZWVFRDXBJXSTR-IGKNDFSCSA-N 2 1 306.494 2.902 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[C@]1(C)[NH3+])C1CCCCC1 ZINC000345713857 427873811 /nfs/dbraw/zinc/87/38/11/427873811.db2.gz LHXJLQFTFJULOJ-AEFFLSMTSA-N 2 1 309.498 2.665 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000340678358 427925468 /nfs/dbraw/zinc/92/54/68/427925468.db2.gz IRAYVYAMHUGQDY-UHFFFAOYSA-N 2 1 318.461 2.677 20 0 DFADMP C[NH+](C)[C@H](C(=O)NCC(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC000337385694 427876895 /nfs/dbraw/zinc/87/68/95/427876895.db2.gz DZACMJMEIPTSIV-KRWDZBQOSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H]1C[N@H+](CCN(C)c2cc[nH+]c3cc(F)ccc32)C[C@H](C)O1 ZINC000302852122 427877319 /nfs/dbraw/zinc/87/73/19/427877319.db2.gz JFNOCNPDUCHNRV-OKILXGFUSA-N 2 1 317.408 2.919 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C)CC(C)C ZINC000345730922 427878920 /nfs/dbraw/zinc/87/89/20/427878920.db2.gz ZZRSWHCJGCJRAP-BBWFWOEESA-N 2 1 311.514 2.732 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)oc1C ZINC000337385866 427880519 /nfs/dbraw/zinc/88/05/19/427880519.db2.gz HSNBGTNRVUFSSJ-DOTOQJQBSA-N 2 1 307.482 2.819 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000345752560 427889130 /nfs/dbraw/zinc/88/91/30/427889130.db2.gz BIXAZTFWXBGQAB-UHFFFAOYSA-N 2 1 320.481 2.777 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H](c2ccccc2)C2CC2)CC1 ZINC000303219900 427899808 /nfs/dbraw/zinc/89/98/08/427899808.db2.gz HTCGGQYSLJWZMZ-RTBURBONSA-N 2 1 302.462 2.820 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CC1CCCCC1 ZINC000346621461 272660647 /nfs/dbraw/zinc/66/06/47/272660647.db2.gz LZCWDUAFBXTXGS-SFHVURJKSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345825065 427921336 /nfs/dbraw/zinc/92/13/36/427921336.db2.gz VRWJCJBPTLIVLE-JFIYKMOQSA-N 2 1 309.498 2.665 20 0 DFADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340223102 427957754 /nfs/dbraw/zinc/95/77/54/427957754.db2.gz SSHQWMASEIUHMF-RTBURBONSA-N 2 1 312.461 2.778 20 0 DFADMP Cn1cc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000340223102 427957758 /nfs/dbraw/zinc/95/77/58/427957758.db2.gz SSHQWMASEIUHMF-RTBURBONSA-N 2 1 312.461 2.778 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)C1 ZINC000359662554 427962918 /nfs/dbraw/zinc/96/29/18/427962918.db2.gz RMBKJPPBADGNDT-QXAKKESOSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@@H+]1C[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)[C@@H](C)C1 ZINC000359662558 427964009 /nfs/dbraw/zinc/96/40/09/427964009.db2.gz RMBKJPPBADGNDT-YTQUADARSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)CC[N@H+]1C ZINC000340262698 427971024 /nfs/dbraw/zinc/97/10/24/427971024.db2.gz ZVHDSLNOBZWRGE-YSHGAJCASA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000340262698 427971028 /nfs/dbraw/zinc/97/10/28/427971028.db2.gz ZVHDSLNOBZWRGE-YSHGAJCASA-N 2 1 301.478 2.894 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC[NH+]1C ZINC000340262698 427971031 /nfs/dbraw/zinc/97/10/31/427971031.db2.gz ZVHDSLNOBZWRGE-YSHGAJCASA-N 2 1 301.478 2.894 20 0 DFADMP CCC[NH+]1CCC(N(C)C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000413205264 427991366 /nfs/dbraw/zinc/99/13/66/427991366.db2.gz AUYKHHUJXLMRGT-XHSDSOJGSA-N 2 1 309.498 2.581 20 0 DFADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000345889069 427940643 /nfs/dbraw/zinc/94/06/43/427940643.db2.gz QCKRLAMUXOQAKI-ROUUACIJSA-N 2 1 323.525 2.830 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340179375 427944832 /nfs/dbraw/zinc/94/48/32/427944832.db2.gz VVXCJWWQQZJKMF-HKUYNNGSSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340179375 427944836 /nfs/dbraw/zinc/94/48/36/427944836.db2.gz VVXCJWWQQZJKMF-HKUYNNGSSA-N 2 1 303.494 2.971 20 0 DFADMP C[N@H+]1CC[C@H](NCCC[NH+]2CCCC2)C[C@H]1c1ccccc1 ZINC000340183133 427948455 /nfs/dbraw/zinc/94/84/55/427948455.db2.gz VFULALGSNKKQKB-OALUTQOASA-N 2 1 301.478 2.897 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000369652166 428026342 /nfs/dbraw/zinc/02/63/42/428026342.db2.gz CKRKLKLXNXDTHE-GFCCVEGCSA-N 2 1 314.380 2.671 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000369652166 428026348 /nfs/dbraw/zinc/02/63/48/428026348.db2.gz CKRKLKLXNXDTHE-GFCCVEGCSA-N 2 1 314.380 2.671 20 0 DFADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@@]2(CCCOC2)O1 ZINC000369714882 428040292 /nfs/dbraw/zinc/04/02/92/428040292.db2.gz MOOXGVWEQKKGTF-ZWKOTPCHSA-N 2 1 321.465 2.632 20 0 DFADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@@]2(CCCOC2)O1 ZINC000369714882 428040296 /nfs/dbraw/zinc/04/02/96/428040296.db2.gz MOOXGVWEQKKGTF-ZWKOTPCHSA-N 2 1 321.465 2.632 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCC[C@H]([C@@H]3CCOC3)C1)C2 ZINC000341372572 428049711 /nfs/dbraw/zinc/04/97/11/428049711.db2.gz OEGQDVBTUFYHKP-YYIAUSFCSA-N 2 1 303.450 2.630 20 0 DFADMP CC(C)CN(C(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](C)CC1 ZINC000413460364 428054071 /nfs/dbraw/zinc/05/40/71/428054071.db2.gz UBQBNQCEIQBTHK-BBWFWOEESA-N 2 1 323.525 2.827 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377093179 428054898 /nfs/dbraw/zinc/05/48/98/428054898.db2.gz JOWQHELUSCFFJM-MJGOQNOKSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@@H]1C[N@H+](C/C=C/c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767852 428057302 /nfs/dbraw/zinc/05/73/02/428057302.db2.gz UWYJDVFHZKYBDF-NVLKRUCJSA-N 2 1 313.489 2.658 20 0 DFADMP C[C@@H]1C[N@@H+](C/C=C/c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000369767852 428057308 /nfs/dbraw/zinc/05/73/08/428057308.db2.gz UWYJDVFHZKYBDF-NVLKRUCJSA-N 2 1 313.489 2.658 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@H+]1C ZINC000369851614 428076146 /nfs/dbraw/zinc/07/61/46/428076146.db2.gz KFIOUIATGOGDEN-LULLPPNCSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC[NH+]1C ZINC000369851614 428076152 /nfs/dbraw/zinc/07/61/52/428076152.db2.gz KFIOUIATGOGDEN-LULLPPNCSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC[NH+]1C ZINC000369851614 428076155 /nfs/dbraw/zinc/07/61/55/428076155.db2.gz KFIOUIATGOGDEN-LULLPPNCSA-N 2 1 301.478 2.752 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(C2CCCCC2)n1 ZINC000369913639 428088910 /nfs/dbraw/zinc/08/89/10/428088910.db2.gz RZVXVRUMMZQBOF-MRXNPFEDSA-N 2 1 313.449 2.769 20 0 DFADMP CC(C)[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+](C)C ZINC000341522948 428090619 /nfs/dbraw/zinc/09/06/19/428090619.db2.gz HHDCEWMLIIFXCG-GOSISDBHSA-N 2 1 317.477 2.848 20 0 DFADMP CC[C@](C)(CCO)[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000359955927 428092593 /nfs/dbraw/zinc/09/25/93/428092593.db2.gz CUDYBQAAGSNVCS-MRXNPFEDSA-N 2 1 311.495 2.550 20 0 DFADMP CC[C@](C)(CCO)[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000359955927 428092598 /nfs/dbraw/zinc/09/25/98/428092598.db2.gz CUDYBQAAGSNVCS-MRXNPFEDSA-N 2 1 311.495 2.550 20 0 DFADMP CCCCOc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000351504901 428095140 /nfs/dbraw/zinc/09/51/40/428095140.db2.gz XYQHZGWTKSCGML-UHFFFAOYSA-N 2 1 320.477 2.802 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000346266876 428100717 /nfs/dbraw/zinc/10/07/17/428100717.db2.gz IYSXWLUROJGAPL-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000346266876 428100724 /nfs/dbraw/zinc/10/07/24/428100724.db2.gz IYSXWLUROJGAPL-FUHWJXTLSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)(O)CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000377316230 428104894 /nfs/dbraw/zinc/10/48/94/428104894.db2.gz LKAZBABXRVOXOZ-ZWKOTPCHSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)(O)CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377316230 428104898 /nfs/dbraw/zinc/10/48/98/428104898.db2.gz LKAZBABXRVOXOZ-ZWKOTPCHSA-N 2 1 302.462 2.601 20 0 DFADMP CC(C)(O)CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000377316230 428104901 /nfs/dbraw/zinc/10/49/01/428104901.db2.gz LKAZBABXRVOXOZ-ZWKOTPCHSA-N 2 1 302.462 2.601 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@H](C[NH2+]CC3=CCCOC3)C2)cc1 ZINC000359991330 428108116 /nfs/dbraw/zinc/10/81/16/428108116.db2.gz DHIKHBAJFAZJDS-GOSISDBHSA-N 2 1 300.446 2.835 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859708 428113343 /nfs/dbraw/zinc/11/33/43/428113343.db2.gz GWVKFFCAFKDHCK-QAPCUYQASA-N 2 1 311.429 2.830 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCc2ccc3c(c2)OCCO3)CC1 ZINC000360017844 428119901 /nfs/dbraw/zinc/11/99/01/428119901.db2.gz SEGJFQVGSHBNPL-UHFFFAOYSA-N 2 1 318.461 2.807 20 0 DFADMP CC(C)(O)C[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000370056813 428123388 /nfs/dbraw/zinc/12/33/88/428123388.db2.gz SLUSTDWZBSKYCR-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000370056813 428123392 /nfs/dbraw/zinc/12/33/92/428123392.db2.gz SLUSTDWZBSKYCR-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000370056813 428123399 /nfs/dbraw/zinc/12/33/99/428123399.db2.gz SLUSTDWZBSKYCR-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000359888654 428063066 /nfs/dbraw/zinc/06/30/66/428063066.db2.gz UWFDVFLYKQKLQG-DOTOQJQBSA-N 2 1 318.461 2.820 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000359888654 428063072 /nfs/dbraw/zinc/06/30/72/428063072.db2.gz UWFDVFLYKQKLQG-DOTOQJQBSA-N 2 1 318.461 2.820 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccccc2C(=O)OC)C[C@@H]1C ZINC000359888654 428063077 /nfs/dbraw/zinc/06/30/77/428063077.db2.gz UWFDVFLYKQKLQG-DOTOQJQBSA-N 2 1 318.461 2.820 20 0 DFADMP CC[N@H+](CCn1cc[nH+]c1C)[C@H](COC)Cc1ccccc1 ZINC000346332720 428130442 /nfs/dbraw/zinc/13/04/42/428130442.db2.gz VELHXBPYQLWGNG-SFHVURJKSA-N 2 1 301.434 2.771 20 0 DFADMP CC[N@@H+](CCn1cc[nH+]c1C)[C@H](COC)Cc1ccccc1 ZINC000346332720 428130447 /nfs/dbraw/zinc/13/04/47/428130447.db2.gz VELHXBPYQLWGNG-SFHVURJKSA-N 2 1 301.434 2.771 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cc1 ZINC000352540284 428141261 /nfs/dbraw/zinc/14/12/61/428141261.db2.gz JDLXMNJVSMVREP-UHFFFAOYSA-N 2 1 303.450 2.986 20 0 DFADMP Fc1ccc(F)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000377509799 428143785 /nfs/dbraw/zinc/14/37/85/428143785.db2.gz DAMOJFYYLWVVMO-UHFFFAOYSA-N 2 1 324.415 2.899 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccnn2C)c1 ZINC000352544418 428144991 /nfs/dbraw/zinc/14/49/91/428144991.db2.gz AJGFEHVDWFTDAN-HXUWFJFHSA-N 2 1 324.472 2.971 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000352546039 428145171 /nfs/dbraw/zinc/14/51/71/428145171.db2.gz OMSVMHXCFGTGQU-QGZVFWFLSA-N 2 1 316.474 2.724 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000352546039 428145176 /nfs/dbraw/zinc/14/51/76/428145176.db2.gz OMSVMHXCFGTGQU-QGZVFWFLSA-N 2 1 316.474 2.724 20 0 DFADMP C[N@H+]1CC[C@H](CNC(=[NH2+])N2CCCCC2)[C@H]1c1cccs1 ZINC000370160085 428147358 /nfs/dbraw/zinc/14/73/58/428147358.db2.gz FNLRGJMJXBCGQC-HIFRSBDPSA-N 2 1 306.479 2.751 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C3CCSCC3)C2)nc(C)[nH+]1 ZINC000360095771 428160040 /nfs/dbraw/zinc/16/00/40/428160040.db2.gz NMRSQXWHFAODRF-HNNXBMFYSA-N 2 1 306.479 2.547 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccnc3C)C2)nc(C)[nH+]1 ZINC000360095895 428160356 /nfs/dbraw/zinc/16/03/56/428160356.db2.gz OAESUPLMONKJJY-QGZVFWFLSA-N 2 1 311.433 2.555 20 0 DFADMP C[C@@H]1CCCC[C@@H]1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377623454 428174146 /nfs/dbraw/zinc/17/41/46/428174146.db2.gz JLNXYIFPNSZPOR-GUDVDZBRSA-N 2 1 307.526 2.772 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccncc3)C2)nc(C)[nH+]1 ZINC000377629512 428176928 /nfs/dbraw/zinc/17/69/28/428176928.db2.gz CKPTZVIKSHXSBX-WMLDXEAASA-N 2 1 311.433 2.808 20 0 DFADMP Fc1ccc([C@H]([NH2+]CCn2ccnc2)c2cccnc2)c(F)c1 ZINC000346467017 428181078 /nfs/dbraw/zinc/18/10/78/428181078.db2.gz TVIIANPVQYGFIY-QGZVFWFLSA-N 2 1 314.339 2.936 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414097467 428205969 /nfs/dbraw/zinc/20/59/69/428205969.db2.gz JCCQGVWQDSNWIC-SJLPKXTDSA-N 2 1 319.493 2.979 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414110815 428208702 /nfs/dbraw/zinc/20/87/02/428208702.db2.gz ORJICROOVAIBDW-RGCFKVTRSA-N 2 1 302.462 2.777 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000346558395 428218365 /nfs/dbraw/zinc/21/83/65/428218365.db2.gz LGCQTFGOWCBRGO-WDSOQIARSA-N 2 1 320.477 2.853 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)[C@@H]1CCCO1)c1ccccc1 ZINC000346558395 428218370 /nfs/dbraw/zinc/21/83/70/428218370.db2.gz LGCQTFGOWCBRGO-WDSOQIARSA-N 2 1 320.477 2.853 20 0 DFADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@@H]1c1ccccc1 ZINC000377761224 428219333 /nfs/dbraw/zinc/21/93/33/428219333.db2.gz LXIRMNUDDPXZOW-OALUTQOASA-N 2 1 323.440 2.568 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000356528274 428219345 /nfs/dbraw/zinc/21/93/45/428219345.db2.gz BIZQMTNAVUXEAX-HZPDHXFCSA-N 2 1 319.493 2.790 20 0 DFADMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@H]1c1ccccc1 ZINC000377761227 428220550 /nfs/dbraw/zinc/22/05/50/428220550.db2.gz LXIRMNUDDPXZOW-RTBURBONSA-N 2 1 323.440 2.568 20 0 DFADMP CC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(F)cn1 ZINC000352722046 428221044 /nfs/dbraw/zinc/22/10/44/428221044.db2.gz NLUWVCRJCFORHO-KRWDZBQOSA-N 2 1 322.472 2.535 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccc2)c2ccncn2)C1 ZINC000414169066 428221273 /nfs/dbraw/zinc/22/12/73/428221273.db2.gz AWVHEDMXIYPDHJ-VQIMIIECSA-N 2 1 310.445 2.888 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccccc1-n1ccnn1 ZINC000414168616 428221784 /nfs/dbraw/zinc/22/17/84/428221784.db2.gz AODBIGINGVXNLG-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414172879 428224173 /nfs/dbraw/zinc/22/41/73/428224173.db2.gz FQZPRYYVWGHZRK-GJZGRUSLSA-N 2 1 304.434 2.840 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C2(C)Cc3ccccc3C2)s1 ZINC000352735135 428226065 /nfs/dbraw/zinc/22/60/65/428226065.db2.gz BEDQNIBMYVEAAV-UHFFFAOYSA-N 2 1 301.459 2.852 20 0 DFADMP C[N@@H+]1CCC[C@@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000414181170 428227440 /nfs/dbraw/zinc/22/74/40/428227440.db2.gz MCTXLOUAQRSGAR-YOEHRIQHSA-N 2 1 316.424 2.960 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000414181170 428227443 /nfs/dbraw/zinc/22/74/43/428227443.db2.gz MCTXLOUAQRSGAR-YOEHRIQHSA-N 2 1 316.424 2.960 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000370516446 428227988 /nfs/dbraw/zinc/22/79/88/428227988.db2.gz CMFDXZNQIPZNDX-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc([S@](C)=O)cc1 ZINC000414189247 428229021 /nfs/dbraw/zinc/22/90/21/428229021.db2.gz RESXNOGINVXBJA-ZSDSOXJFSA-N 2 1 308.491 2.807 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc([S@@](C)=O)cc1 ZINC000414189243 428230117 /nfs/dbraw/zinc/23/01/17/428230117.db2.gz RESXNOGINVXBJA-PDSXEYIOSA-N 2 1 308.491 2.807 20 0 DFADMP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccn(C)n1 ZINC000414199469 428231820 /nfs/dbraw/zinc/23/18/20/428231820.db2.gz XFZNETFSQFFDHS-GJZGRUSLSA-N 2 1 316.449 2.772 20 0 DFADMP C[N@@H+](CC[C@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346590268 428232228 /nfs/dbraw/zinc/23/22/28/428232228.db2.gz YARWUDBVLRNQSU-GOSISDBHSA-N 2 1 303.450 2.799 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(CC)nc2)[C@H](C)C1 ZINC000352760031 428234668 /nfs/dbraw/zinc/23/46/68/428234668.db2.gz NCTFNWQEUPYDPY-APWZRJJASA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccc(CC)nc2)[C@H](C)C1 ZINC000352760031 428234670 /nfs/dbraw/zinc/23/46/70/428234670.db2.gz NCTFNWQEUPYDPY-APWZRJJASA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)nc2)[C@@H](C)C1 ZINC000352760033 428235770 /nfs/dbraw/zinc/23/57/70/428235770.db2.gz NCTFNWQEUPYDPY-QFBILLFUSA-N 2 1 319.493 2.871 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(CC)nc2)[C@@H](C)C1 ZINC000352760033 428235777 /nfs/dbraw/zinc/23/57/77/428235777.db2.gz NCTFNWQEUPYDPY-QFBILLFUSA-N 2 1 319.493 2.871 20 0 DFADMP Cc1nc2ccccn2c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360168607 428189915 /nfs/dbraw/zinc/18/99/15/428189915.db2.gz NHDWZCRMXIWXCL-UHFFFAOYSA-N 2 1 300.450 2.854 20 0 DFADMP CSC1(C[N@@H+](C)C[C@@H]2CCN(C)[C@H]2c2cccnc2)CC1 ZINC000377691413 428194829 /nfs/dbraw/zinc/19/48/29/428194829.db2.gz DJDBUWHHFVOITL-HOTGVXAUSA-N 2 1 305.491 2.902 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)cn1 ZINC000414069041 428195931 /nfs/dbraw/zinc/19/59/31/428195931.db2.gz KGLCULLBZRHFBJ-JYJNAYRXSA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)cn1 ZINC000414069041 428195935 /nfs/dbraw/zinc/19/59/35/428195935.db2.gz KGLCULLBZRHFBJ-JYJNAYRXSA-N 2 1 305.466 2.731 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCn2ccnc2C1 ZINC000377688027 428196069 /nfs/dbraw/zinc/19/60/69/428196069.db2.gz VSEOXODFJSZWRY-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377688027 428196080 /nfs/dbraw/zinc/19/60/80/428196080.db2.gz VSEOXODFJSZWRY-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1C[C@H]1C ZINC000414076702 428199076 /nfs/dbraw/zinc/19/90/76/428199076.db2.gz QIALKSYJXPOFAA-MDZRGWNJSA-N 2 1 301.478 2.568 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000414075182 428199104 /nfs/dbraw/zinc/19/91/04/428199104.db2.gz XKUNWCLJLAFYAC-JKSUJKDBSA-N 2 1 305.466 2.875 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C(C)C)[NH+]2CCCC2)cn1 ZINC000414075257 428199666 /nfs/dbraw/zinc/19/96/66/428199666.db2.gz XNEMSQLFKZHOMZ-RDJZCZTQSA-N 2 1 305.466 2.731 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)cc2C)CC1 ZINC000414083004 428201121 /nfs/dbraw/zinc/20/11/21/428201121.db2.gz WOQSRWAMQACUPH-OAHLLOKOSA-N 2 1 306.450 2.765 20 0 DFADMP C[N@H+](C[C@@H](O)c1ccccc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370407761 428204638 /nfs/dbraw/zinc/20/46/38/428204638.db2.gz RVVVKBWYGKPMKB-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@@H](O)c1ccccc1Cl)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370407761 428204641 /nfs/dbraw/zinc/20/46/41/428204641.db2.gz RVVVKBWYGKPMKB-XJKSGUPXSA-N 2 1 319.836 2.764 20 0 DFADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000370653952 428265002 /nfs/dbraw/zinc/26/50/02/428265002.db2.gz VPAIHRHJTQGPEA-RCCFBDPRSA-N 2 1 312.498 2.528 20 0 DFADMP CC[N@H+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000414347453 428265731 /nfs/dbraw/zinc/26/57/31/428265731.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347453 428265738 /nfs/dbraw/zinc/26/57/38/428265738.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP CC[NH+]1CC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347453 428265745 /nfs/dbraw/zinc/26/57/45/428265745.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414347453 428265748 /nfs/dbraw/zinc/26/57/48/428265748.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP CCN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000414347453 428265755 /nfs/dbraw/zinc/26/57/55/428265755.db2.gz QZUUIDOFWBHLMA-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000370663436 428268180 /nfs/dbraw/zinc/26/81/80/428268180.db2.gz VENZHROBBSBAEP-IPELMVKDSA-N 2 1 302.462 2.912 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000370663436 428268187 /nfs/dbraw/zinc/26/81/87/428268187.db2.gz VENZHROBBSBAEP-IPELMVKDSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+](C)CC(C)(C)C[NH3+] ZINC000346681224 428270550 /nfs/dbraw/zinc/27/05/50/428270550.db2.gz OQMJCUSRXFTGOI-UHFFFAOYSA-N 2 1 300.450 2.906 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+](C)CC(C)(C)C[NH3+] ZINC000346681224 428270554 /nfs/dbraw/zinc/27/05/54/428270554.db2.gz OQMJCUSRXFTGOI-UHFFFAOYSA-N 2 1 300.450 2.906 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H]3CCCOCC3)CCCC2)CC1 ZINC000356683294 428270707 /nfs/dbraw/zinc/27/07/07/428270707.db2.gz SYNICGSTOKQSPX-MRXNPFEDSA-N 2 1 310.482 2.569 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1 ZINC000346684178 428274191 /nfs/dbraw/zinc/27/41/91/428274191.db2.gz RHRJBVBDZPDJQY-QGZVFWFLSA-N 2 1 316.449 2.891 20 0 DFADMP Cc1ccc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)nn1 ZINC000414376474 428276055 /nfs/dbraw/zinc/27/60/55/428276055.db2.gz COQMAPCRSIFAER-IRXDYDNUSA-N 2 1 302.466 2.871 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000346695319 428276396 /nfs/dbraw/zinc/27/63/96/428276396.db2.gz ZSMYHYAQWWVBOI-CHWSQXEVSA-N 2 1 318.852 2.910 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cn(C)nc1-c1ccccc1Cl ZINC000346695319 428276399 /nfs/dbraw/zinc/27/63/99/428276399.db2.gz ZSMYHYAQWWVBOI-CHWSQXEVSA-N 2 1 318.852 2.910 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000346692455 428276830 /nfs/dbraw/zinc/27/68/30/428276830.db2.gz ZAVQHQIIVZFSBX-VXGBXAGGSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694080 428277548 /nfs/dbraw/zinc/27/75/48/428277548.db2.gz RTVTYJGTRXBMFV-AAEUAGOBSA-N 2 1 302.340 2.797 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1F ZINC000370708320 428282106 /nfs/dbraw/zinc/28/21/06/428282106.db2.gz PMHMXNCDONEFRL-VQIMIIECSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)ccc1F ZINC000370708320 428282111 /nfs/dbraw/zinc/28/21/11/428282111.db2.gz PMHMXNCDONEFRL-VQIMIIECSA-N 2 1 319.468 2.592 20 0 DFADMP COc1ccc(C[NH2+]CCCn2cc[nH+]c2C)c(C)c1OC ZINC000342054004 428286547 /nfs/dbraw/zinc/28/65/47/428286547.db2.gz ASKCXAKQWDLHMC-UHFFFAOYSA-N 2 1 303.406 2.697 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)c1 ZINC000377840134 428242046 /nfs/dbraw/zinc/24/20/46/428242046.db2.gz POYAIGGWTLJFBP-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCCC1 ZINC000346616874 428242452 /nfs/dbraw/zinc/24/24/52/428242452.db2.gz PHSJGUIAHVPVSN-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000346616874 428242460 /nfs/dbraw/zinc/24/24/60/428242460.db2.gz PHSJGUIAHVPVSN-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCCC1 ZINC000346616874 428242464 /nfs/dbraw/zinc/24/24/64/428242464.db2.gz PHSJGUIAHVPVSN-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)c1 ZINC000377840133 428243557 /nfs/dbraw/zinc/24/35/57/428243557.db2.gz POYAIGGWTLJFBP-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000352776620 428243725 /nfs/dbraw/zinc/24/37/25/428243725.db2.gz UAOCZRXXEBDUGP-GOEBONIOSA-N 2 1 301.459 2.926 20 0 DFADMP CCOc1c(OC)cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000346648895 428256191 /nfs/dbraw/zinc/25/61/91/428256191.db2.gz BQSOJHBTCRNNLG-OAHLLOKOSA-N 2 1 324.465 2.908 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc1OC ZINC000346648895 428256197 /nfs/dbraw/zinc/25/61/97/428256197.db2.gz BQSOJHBTCRNNLG-OAHLLOKOSA-N 2 1 324.465 2.908 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352814091 428259586 /nfs/dbraw/zinc/25/95/86/428259586.db2.gz KPQMYIWFSFZQTG-OAHLLOKOSA-N 2 1 324.538 2.949 20 0 DFADMP Cc1ccc(CN2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000414443177 428298136 /nfs/dbraw/zinc/29/81/36/428298136.db2.gz RPNMOVUWCJCRMA-HXUWFJFHSA-N 2 1 322.456 2.883 20 0 DFADMP C[C@H](Cc1cccc(O)c1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352813105 428260802 /nfs/dbraw/zinc/26/08/02/428260802.db2.gz JNSUHLWBRYUZID-GFCCVEGCSA-N 2 1 305.447 2.631 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)C[C@@H]21 ZINC000342117618 428308345 /nfs/dbraw/zinc/30/83/45/428308345.db2.gz ZAFKWNSGHFMWHR-BYCMXARLSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)C[C@@H]21 ZINC000342117618 428308350 /nfs/dbraw/zinc/30/83/50/428308350.db2.gz ZAFKWNSGHFMWHR-BYCMXARLSA-N 2 1 303.431 2.962 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000370879055 428313942 /nfs/dbraw/zinc/31/39/42/428313942.db2.gz LAMKOGNFAKQSRG-YQVWRLOYSA-N 2 1 305.510 2.810 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000370879055 428313945 /nfs/dbraw/zinc/31/39/45/428313945.db2.gz LAMKOGNFAKQSRG-YQVWRLOYSA-N 2 1 305.510 2.810 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCN1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000370879055 428313948 /nfs/dbraw/zinc/31/39/48/428313948.db2.gz LAMKOGNFAKQSRG-YQVWRLOYSA-N 2 1 305.510 2.810 20 0 DFADMP Cc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1F ZINC000352922708 428314135 /nfs/dbraw/zinc/31/41/35/428314135.db2.gz CNXHZSRUPULVCE-XYPWUTKMSA-N 2 1 319.424 2.630 20 0 DFADMP CCC[N@@H+](C)CC(=O)N1CCC(CC[NH+](CC)CC2CC2)CC1 ZINC000356900778 428355635 /nfs/dbraw/zinc/35/56/35/428355635.db2.gz ZHDAQCJGTDVAIS-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[NH+](C)CC(=O)N1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000356900778 428355640 /nfs/dbraw/zinc/35/56/40/428355640.db2.gz ZHDAQCJGTDVAIS-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP CCC[NH+](C)CC(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000356900778 428355645 /nfs/dbraw/zinc/35/56/45/428355645.db2.gz ZHDAQCJGTDVAIS-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000356825796 428324639 /nfs/dbraw/zinc/32/46/39/428324639.db2.gz ATUZLVPSCQQVGO-HKUYNNGSSA-N 2 1 320.477 2.540 20 0 DFADMP COc1ccc(OC)c([C@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346818227 428328909 /nfs/dbraw/zinc/32/89/09/428328909.db2.gz GYSVIWVBUWGOQA-RHSMWYFYSA-N 2 1 304.434 2.840 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346814841 428329103 /nfs/dbraw/zinc/32/91/03/428329103.db2.gz CRCXHVSCWHIVRX-FPMFFAJLSA-N 2 1 318.852 2.786 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346814841 428329106 /nfs/dbraw/zinc/32/91/06/428329106.db2.gz CRCXHVSCWHIVRX-FPMFFAJLSA-N 2 1 318.852 2.786 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000352972784 428330393 /nfs/dbraw/zinc/33/03/93/428330393.db2.gz YMWMHKZCAFYWJD-QGZVKYPTSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352972784 428330398 /nfs/dbraw/zinc/33/03/98/428330398.db2.gz YMWMHKZCAFYWJD-QGZVKYPTSA-N 2 1 315.505 2.827 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000352972784 428330410 /nfs/dbraw/zinc/33/04/10/428330410.db2.gz YMWMHKZCAFYWJD-QGZVKYPTSA-N 2 1 315.505 2.827 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000352972784 428330416 /nfs/dbraw/zinc/33/04/16/428330416.db2.gz YMWMHKZCAFYWJD-QGZVKYPTSA-N 2 1 315.505 2.827 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH+]1CCCCC1 ZINC000352971976 428332045 /nfs/dbraw/zinc/33/20/45/428332045.db2.gz MRMUTZXLNUHUBZ-MSOLQXFVSA-N 2 1 321.509 2.728 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000346824931 428332257 /nfs/dbraw/zinc/33/22/57/428332257.db2.gz DCAYDZGUOJWYBK-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP COCCCOc1cccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000346826687 428333715 /nfs/dbraw/zinc/33/37/15/428333715.db2.gz MAMGBGLPXPSRQI-UHOSZYNNSA-N 2 1 318.461 2.661 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378208777 428335245 /nfs/dbraw/zinc/33/52/45/428335245.db2.gz HSAZYHJUHVFIEA-PBHICJAKSA-N 2 1 306.454 2.688 20 0 DFADMP CCCOc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346831313 428337898 /nfs/dbraw/zinc/33/78/98/428337898.db2.gz XRZZXDCILVAOIT-XHSDSOJGSA-N 2 1 304.434 2.653 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C[C@H]21 ZINC000346839747 428339606 /nfs/dbraw/zinc/33/96/06/428339606.db2.gz SVUSKJODPMJGPB-KBAYOESNSA-N 2 1 324.428 2.828 20 0 DFADMP Cc1ncc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1-c1ccccc1 ZINC000346844861 428342728 /nfs/dbraw/zinc/34/27/28/428342728.db2.gz LZZSBAOBNSTRBM-KFKAGJAMSA-N 2 1 310.445 2.740 20 0 DFADMP CCc1cccnc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000356868901 428342695 /nfs/dbraw/zinc/34/26/95/428342695.db2.gz NNQYUIHUJNYPAR-INIZCTEOSA-N 2 1 318.509 2.568 20 0 DFADMP CC(C)[C@H](CO)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000356872856 428342821 /nfs/dbraw/zinc/34/28/21/428342821.db2.gz PNAPAPPLOAJKHT-OKYOBFRVSA-N 2 1 302.462 2.504 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)ccc1OC(C)C ZINC000346852305 428345264 /nfs/dbraw/zinc/34/52/64/428345264.db2.gz KOKDFMDYBRKKOB-HRCADAONSA-N 2 1 304.434 2.652 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]12 ZINC000346854230 428347084 /nfs/dbraw/zinc/34/70/84/428347084.db2.gz TZMKRQZENQVNRB-PWIZWCRZSA-N 2 1 323.440 2.830 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c(C2CCCCC2)n1 ZINC000346858808 428351281 /nfs/dbraw/zinc/35/12/81/428351281.db2.gz RXYNDGSZDWGMRE-USXIJHARSA-N 2 1 302.466 2.637 20 0 DFADMP CCCOC(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1ccnc1C(C)C ZINC000371069420 428351465 /nfs/dbraw/zinc/35/14/65/428351465.db2.gz NEVDBULEKPEDNW-HUUCEWRRSA-N 2 1 307.438 2.813 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444580 428299147 /nfs/dbraw/zinc/29/91/47/428299147.db2.gz QAVUSCBGOAUROT-YPMHNXCESA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444580 428299153 /nfs/dbraw/zinc/29/91/53/428299153.db2.gz QAVUSCBGOAUROT-YPMHNXCESA-N 2 1 312.360 2.780 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1cccc2c1OC(F)(F)O2 ZINC000414444580 428299159 /nfs/dbraw/zinc/29/91/59/428299159.db2.gz QAVUSCBGOAUROT-YPMHNXCESA-N 2 1 312.360 2.780 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342100405 428299579 /nfs/dbraw/zinc/29/95/79/428299579.db2.gz KDTUTDQXKMSYKX-LUKYLMHMSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cccc(C)c1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342100405 428299586 /nfs/dbraw/zinc/29/95/86/428299586.db2.gz KDTUTDQXKMSYKX-LUKYLMHMSA-N 2 1 315.461 2.690 20 0 DFADMP CC[C@@H](F)CN1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000352894794 428300188 /nfs/dbraw/zinc/30/01/88/428300188.db2.gz VOJIECSMVPXPJI-MOPGFXCFSA-N 2 1 319.468 2.627 20 0 DFADMP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414737817 428391124 /nfs/dbraw/zinc/39/11/24/428391124.db2.gz OLERBICWQSGLMU-HUUCEWRRSA-N 2 1 321.440 2.863 20 0 DFADMP CSc1ccccc1NC(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414742782 428391216 /nfs/dbraw/zinc/39/12/16/428391216.db2.gz UDAVGBPPDUFJHX-ZIAGYGMSSA-N 2 1 321.490 2.667 20 0 DFADMP CC(C)[N@H+](CC(=O)Nc1ccc(F)cc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414737820 428391541 /nfs/dbraw/zinc/39/15/41/428391541.db2.gz OLERBICWQSGLMU-LSDHHAIUSA-N 2 1 321.440 2.863 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000414750874 428391890 /nfs/dbraw/zinc/39/18/90/428391890.db2.gz YZQVPRQOILCNNF-IAGOWNOFSA-N 2 1 308.466 2.510 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[N@@H+](C[C@@H](O)COc1ccccc1)C(C)C ZINC000414750874 428391892 /nfs/dbraw/zinc/39/18/92/428391892.db2.gz YZQVPRQOILCNNF-IAGOWNOFSA-N 2 1 308.466 2.510 20 0 DFADMP COc1ccc(OCC[NH+]2CCC3(CCC[N@@H+]3C)CC2)cc1 ZINC000378431934 428394707 /nfs/dbraw/zinc/39/47/07/428394707.db2.gz PVPZYBCRLYYBSS-UHFFFAOYSA-N 2 1 304.434 2.634 20 0 DFADMP COc1ccc(OCC[NH+]2CCC3(CCC[N@H+]3C)CC2)cc1 ZINC000378431934 428394711 /nfs/dbraw/zinc/39/47/11/428394711.db2.gz PVPZYBCRLYYBSS-UHFFFAOYSA-N 2 1 304.434 2.634 20 0 DFADMP CC(C)C[C@@H]([NH3+])C[NH+]1CCC(C(=O)NC2CCCCC2)CC1 ZINC000414755557 428396046 /nfs/dbraw/zinc/39/60/46/428396046.db2.gz ZRPYQIRSGVUEMI-MRXNPFEDSA-N 2 1 309.498 2.521 20 0 DFADMP FC(F)(F)c1ncc(C[N@@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414780783 428403792 /nfs/dbraw/zinc/40/37/92/428403792.db2.gz LYLVIJWFFYXJSH-GHMZBOCLSA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1ncc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414780783 428403796 /nfs/dbraw/zinc/40/37/96/428403796.db2.gz LYLVIJWFFYXJSH-GHMZBOCLSA-N 2 1 319.396 2.983 20 0 DFADMP C[C@H](CCc1ccccc1)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784104 428407611 /nfs/dbraw/zinc/40/76/11/428407611.db2.gz QUBZYKVLJLFSPL-IEBWSBKVSA-N 2 1 316.489 2.943 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414784983 428407678 /nfs/dbraw/zinc/40/76/78/428407678.db2.gz RXODUMZWEZBCJW-ZWKOTPCHSA-N 2 1 318.461 2.533 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414786699 428411027 /nfs/dbraw/zinc/41/10/27/428411027.db2.gz UTBATBKSSCSWEW-LSDHHAIUSA-N 2 1 304.434 2.525 20 0 DFADMP CC(C)[C@H](C)C(=O)NCCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000371090568 428357830 /nfs/dbraw/zinc/35/78/30/428357830.db2.gz SNLNWOHDAIJMJK-INIZCTEOSA-N 2 1 323.525 2.591 20 0 DFADMP Fc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)ccc1OC(F)F ZINC000371107783 428362408 /nfs/dbraw/zinc/36/24/08/428362408.db2.gz GNIFVQRIJCUXMH-LLVKDONJSA-N 2 1 311.307 2.728 20 0 DFADMP COc1ccc(C[N@H+]2CCCN(CC[NH2+]C(C)(C)C)CC2)cc1 ZINC000414664006 428366932 /nfs/dbraw/zinc/36/69/32/428366932.db2.gz CAVAOPSZFLOVKR-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC[N@@H+]1C ZINC000360616072 428370493 /nfs/dbraw/zinc/37/04/93/428370493.db2.gz UDDOKJZETPJLFF-KYOSRNDESA-N 2 1 305.397 2.671 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC[N@H+]1C ZINC000360616072 428370497 /nfs/dbraw/zinc/37/04/97/428370497.db2.gz UDDOKJZETPJLFF-KYOSRNDESA-N 2 1 305.397 2.671 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)CC[C@@H]2CC[NH2+]C2)C1 ZINC000371158079 428371226 /nfs/dbraw/zinc/37/12/26/428371226.db2.gz ZYLJRBUISSPRAI-CVEARBPZSA-N 2 1 318.465 2.560 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689843 428375715 /nfs/dbraw/zinc/37/57/15/428375715.db2.gz LWFPFIMMNXYTOI-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689843 428375720 /nfs/dbraw/zinc/37/57/20/428375720.db2.gz LWFPFIMMNXYTOI-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)CC[NH2+]1 ZINC000414689843 428375726 /nfs/dbraw/zinc/37/57/26/428375726.db2.gz LWFPFIMMNXYTOI-HCXYKTFWSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCCN(Cc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414684845 428376753 /nfs/dbraw/zinc/37/67/53/428376753.db2.gz WZMNYCVJKPKBDF-SJLPKXTDSA-N 2 1 319.468 2.722 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[NH+]2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000371205843 428378257 /nfs/dbraw/zinc/37/82/57/428378257.db2.gz VMJJALJREMXLAV-QZTJIDSGSA-N 2 1 304.482 2.839 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000371205843 428378261 /nfs/dbraw/zinc/37/82/61/428378261.db2.gz VMJJALJREMXLAV-QZTJIDSGSA-N 2 1 304.482 2.839 20 0 DFADMP Cc1cc(C)n(C[C@H]2CCCC[N@@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000371205843 428378267 /nfs/dbraw/zinc/37/82/67/428378267.db2.gz VMJJALJREMXLAV-QZTJIDSGSA-N 2 1 304.482 2.839 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2nccn2Cc2ccccc2)CC[NH2+]1 ZINC000414692256 428379058 /nfs/dbraw/zinc/37/90/58/428379058.db2.gz KPQYFFXKJUUDCH-WMZOPIPTSA-N 2 1 312.461 2.751 20 0 DFADMP CCC1CCC([N@@H+](C[C@@H]2CCCN(C(=O)C[NH3+])C2)C2CC2)CC1 ZINC000414694628 428379095 /nfs/dbraw/zinc/37/90/95/428379095.db2.gz DLIWEYNRFKVJBO-AQFXKWCLSA-N 2 1 321.509 2.617 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)Cc2nccn2Cc2ccccc2)CC[NH2+]1 ZINC000414692255 428379217 /nfs/dbraw/zinc/37/92/17/428379217.db2.gz KPQYFFXKJUUDCH-SJLPKXTDSA-N 2 1 312.461 2.751 20 0 DFADMP CCCCC[N@@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](C)CCC ZINC000414700822 428379319 /nfs/dbraw/zinc/37/93/19/428379319.db2.gz ZVPXLEXMQLAASE-DLBZAZTESA-N 2 1 311.514 2.865 20 0 DFADMP COCCOCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414695922 428379542 /nfs/dbraw/zinc/37/95/42/428379542.db2.gz ADXNHKMIVYLYFM-MJGOQNOKSA-N 2 1 320.477 2.540 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](C)Cc2nccn2Cc2ccccc2)CC[NH2+]1 ZINC000414692253 428379671 /nfs/dbraw/zinc/37/96/71/428379671.db2.gz KPQYFFXKJUUDCH-FUHWJXTLSA-N 2 1 312.461 2.751 20 0 DFADMP Clc1ccc2cccnc2c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357073617 428379947 /nfs/dbraw/zinc/37/99/47/428379947.db2.gz HYZMODPZPJGQOQ-KBPBESRZSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1ccc2cccnc2c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000357073617 428379954 /nfs/dbraw/zinc/37/99/54/428379954.db2.gz HYZMODPZPJGQOQ-KBPBESRZSA-N 2 1 301.821 2.930 20 0 DFADMP Cc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000371295588 428380558 /nfs/dbraw/zinc/38/05/58/428380558.db2.gz SRRJBLBZCWWKMD-CEXWTWQISA-N 2 1 302.462 2.721 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414702565 428381584 /nfs/dbraw/zinc/38/15/84/428381584.db2.gz HZODSBPREWCYCZ-ZNMIVQPWSA-N 2 1 324.469 2.623 20 0 DFADMP CC(C)CO[C@H](C)c1noc(C[N@@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414702565 428381586 /nfs/dbraw/zinc/38/15/86/428381586.db2.gz HZODSBPREWCYCZ-ZNMIVQPWSA-N 2 1 324.469 2.623 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710138 428383795 /nfs/dbraw/zinc/38/37/95/428383795.db2.gz RLZITUIHTGZTMV-NUJGCVRESA-N 2 1 315.461 2.502 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2=O)CC[NH2+]1 ZINC000414710134 428384211 /nfs/dbraw/zinc/38/42/11/428384211.db2.gz RLZITUIHTGZTMV-JFIYKMOQSA-N 2 1 315.461 2.502 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2C[C@@H](c3ccc(F)cc3)O[C@@H](C)C2)CC[NH2+]1 ZINC000414715949 428385984 /nfs/dbraw/zinc/38/59/84/428385984.db2.gz WINCYHSHUWGTQR-FSZRXZPDSA-N 2 1 306.425 2.976 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC000357098313 428386599 /nfs/dbraw/zinc/38/65/99/428386599.db2.gz AODBMGDJMYIFPO-ROUUACIJSA-N 2 1 323.440 2.702 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)cc2)nc1 ZINC000357098313 428386603 /nfs/dbraw/zinc/38/66/03/428386603.db2.gz AODBMGDJMYIFPO-ROUUACIJSA-N 2 1 323.440 2.702 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]1c1cnn(C)c1C ZINC000360777659 428433940 /nfs/dbraw/zinc/43/39/40/428433940.db2.gz NMRPEHNEZBCATM-KRWDZBQOSA-N 2 1 301.438 2.851 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]1c1cnn(C)c1C ZINC000360777659 428433944 /nfs/dbraw/zinc/43/39/44/428433944.db2.gz NMRPEHNEZBCATM-KRWDZBQOSA-N 2 1 301.438 2.851 20 0 DFADMP COCCOc1ccc(C[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000414861606 428436312 /nfs/dbraw/zinc/43/63/12/428436312.db2.gz SEVLHGVSDZHORZ-UHFFFAOYSA-N 2 1 306.450 2.853 20 0 DFADMP CC[NH2+]Cc1cccc(NCc2ncc(C[NH+](C)C)s2)c1 ZINC000414869491 428438920 /nfs/dbraw/zinc/43/89/20/428438920.db2.gz QKMJPHXJEAPIPA-UHFFFAOYSA-N 2 1 304.463 2.926 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)CCC1 ZINC000414875597 428440894 /nfs/dbraw/zinc/44/08/94/428440894.db2.gz CEOQUEVOQJOBBK-UHFFFAOYSA-N 2 1 306.413 2.997 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000347094208 428441736 /nfs/dbraw/zinc/44/17/36/428441736.db2.gz HDYZNZYEIAUIJB-CYBMUJFWSA-N 2 1 318.852 2.911 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000347094208 428441740 /nfs/dbraw/zinc/44/17/40/428441740.db2.gz HDYZNZYEIAUIJB-CYBMUJFWSA-N 2 1 318.852 2.911 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414951589 428470295 /nfs/dbraw/zinc/47/02/95/428470295.db2.gz HOSHPEYJTZEPLP-KZULUSFZSA-N 2 1 316.424 2.716 20 0 DFADMP CCOc1cc(C[NH2+]CC2([NH3+])CCC2)ccc1OC(F)F ZINC000414880259 428443885 /nfs/dbraw/zinc/44/38/85/428443885.db2.gz JKOOEOAQJLMODL-UHFFFAOYSA-N 2 1 300.349 2.658 20 0 DFADMP Cc1ccc(O)c(C[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)n1 ZINC000372407377 428444326 /nfs/dbraw/zinc/44/43/26/428444326.db2.gz SADZLPFNSHZGFP-UHFFFAOYSA-N 2 1 312.417 2.876 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000357229658 428445390 /nfs/dbraw/zinc/44/53/90/428445390.db2.gz IHWHLZFJQONBFP-MJGOQNOKSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000357229658 428445397 /nfs/dbraw/zinc/44/53/97/428445397.db2.gz IHWHLZFJQONBFP-MJGOQNOKSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357229658 428445402 /nfs/dbraw/zinc/44/54/02/428445402.db2.gz IHWHLZFJQONBFP-MJGOQNOKSA-N 2 1 303.494 2.827 20 0 DFADMP CCOc1cc(C[NH2+]C[C@@H]([NH3+])C2CC2)ccc1OC(F)F ZINC000414892601 428445969 /nfs/dbraw/zinc/44/59/69/428445969.db2.gz JLSZXNFSUUATRD-GFCCVEGCSA-N 2 1 300.349 2.514 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104038 428447241 /nfs/dbraw/zinc/44/72/41/428447241.db2.gz KWKIOLLQLDONJM-OLZOCXBDSA-N 2 1 302.447 2.764 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000347104038 428447246 /nfs/dbraw/zinc/44/72/46/428447246.db2.gz KWKIOLLQLDONJM-OLZOCXBDSA-N 2 1 302.447 2.764 20 0 DFADMP CC(C)[C@H](O)CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357233894 428448461 /nfs/dbraw/zinc/44/84/61/428448461.db2.gz RTCMSXNABMUYKB-YTQUADARSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCO[C@H](C)C3)sc2C1 ZINC000378651182 428448574 /nfs/dbraw/zinc/44/85/74/428448574.db2.gz RCFSSPGPCPFIQN-CHWSQXEVSA-N 2 1 309.479 2.567 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCO[C@H](C)C3)sc2C1 ZINC000378651182 428448577 /nfs/dbraw/zinc/44/85/77/428448577.db2.gz RCFSSPGPCPFIQN-CHWSQXEVSA-N 2 1 309.479 2.567 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347108334 428449716 /nfs/dbraw/zinc/44/97/16/428449716.db2.gz MRQJRHRXONLMPU-GOSISDBHSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347108334 428449718 /nfs/dbraw/zinc/44/97/18/428449718.db2.gz MRQJRHRXONLMPU-GOSISDBHSA-N 2 1 311.429 2.702 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@H](C)C3)sc2C1 ZINC000378651184 428449853 /nfs/dbraw/zinc/44/98/53/428449853.db2.gz RCFSSPGPCPFIQN-OLZOCXBDSA-N 2 1 309.479 2.567 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CCO[C@H](C)C3)sc2C1 ZINC000378651184 428449857 /nfs/dbraw/zinc/44/98/57/428449857.db2.gz RCFSSPGPCPFIQN-OLZOCXBDSA-N 2 1 309.479 2.567 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC[C@]2(C)CCC[NH2+]C2)C1 ZINC000414902363 428451629 /nfs/dbraw/zinc/45/16/29/428451629.db2.gz HFMUECPDORAXIN-BHIYHBOVSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@]2(C)CCC[NH2+]C2)C1 ZINC000414902363 428451636 /nfs/dbraw/zinc/45/16/36/428451636.db2.gz HFMUECPDORAXIN-BHIYHBOVSA-N 2 1 301.478 2.801 20 0 DFADMP Clc1ccc(OC[C@@H]2CCCO2)c(C[NH2+]C[C@@H]2CC[NH2+]C2)c1 ZINC000414904702 428452021 /nfs/dbraw/zinc/45/20/21/428452021.db2.gz KLVYPKSOCPSGNC-CJNGLKHVSA-N 2 1 324.852 2.597 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)N[C@@H](C)C[NH3+])c1 ZINC000414903074 428452074 /nfs/dbraw/zinc/45/20/74/428452074.db2.gz LKDIYIONDHETOG-ZDUSSCGKSA-N 2 1 315.421 2.524 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CCC[NH2+]CC1)O[C@@H](C)C2 ZINC000414920197 428457654 /nfs/dbraw/zinc/45/76/54/428457654.db2.gz XCIZHRZHMKRJQS-XJKSGUPXSA-N 2 1 304.434 2.640 20 0 DFADMP Cc1csc(N2CCC([NH2+]C[C@@H]3[NH2+]CCCC3(C)C)CC2)n1 ZINC000414921081 428457947 /nfs/dbraw/zinc/45/79/47/428457947.db2.gz ARJSAPJEFGTQOO-HNNXBMFYSA-N 2 1 322.522 2.788 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@H]2C)c1C ZINC000414956513 428470709 /nfs/dbraw/zinc/47/07/09/428470709.db2.gz PTBXGZRPMUSABN-QRTARXTBSA-N 2 1 303.450 2.751 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccnc2)cc1 ZINC000372543194 428459255 /nfs/dbraw/zinc/45/92/55/428459255.db2.gz GRTLUUDFUJZJCB-HKUYNNGSSA-N 2 1 311.429 2.873 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccnc2)cc1 ZINC000372543194 428459262 /nfs/dbraw/zinc/45/92/62/428459262.db2.gz GRTLUUDFUJZJCB-HKUYNNGSSA-N 2 1 311.429 2.873 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000386779044 428462013 /nfs/dbraw/zinc/46/20/13/428462013.db2.gz JCAXDUCHBRXUNA-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414947885 428464660 /nfs/dbraw/zinc/46/46/60/428464660.db2.gz LIZUKDCKDHBFIF-LRDDRELGSA-N 2 1 302.397 2.550 20 0 DFADMP COC[C@@]1(C[NH2+][C@H](C)Cc2ccccc2SC)CCC[NH2+]1 ZINC000414944666 428465010 /nfs/dbraw/zinc/46/50/10/428465010.db2.gz OIJJWAWDEMGQMG-PBHICJAKSA-N 2 1 308.491 2.698 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccccc1OCc1cccnc1 ZINC000414947856 428465031 /nfs/dbraw/zinc/46/50/31/428465031.db2.gz XFVUNFKUNJVUQS-CRAIPNDOSA-N 2 1 311.429 2.748 20 0 DFADMP C[C@H]1C[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942488 428465782 /nfs/dbraw/zinc/46/57/82/428465782.db2.gz DNYNJNSNJZQAHO-WMZOPIPTSA-N 2 1 303.494 2.875 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942488 428465785 /nfs/dbraw/zinc/46/57/85/428465785.db2.gz DNYNJNSNJZQAHO-WMZOPIPTSA-N 3 1 303.494 2.875 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC[NH2+]1 ZINC000414942488 428465792 /nfs/dbraw/zinc/46/57/92/428465792.db2.gz DNYNJNSNJZQAHO-WMZOPIPTSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000387831881 428465773 /nfs/dbraw/zinc/46/57/73/428465773.db2.gz ZHIBHRRGGXVQBK-YESZJQIVSA-N 2 1 303.450 2.879 20 0 DFADMP Cc1[nH+]ccn1CCCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000357287498 428466855 /nfs/dbraw/zinc/46/68/55/428466855.db2.gz SKZKOYFMNAFLEK-QGZVFWFLSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342845835 428469055 /nfs/dbraw/zinc/46/90/55/428469055.db2.gz XUQMOTSOFTZQJF-ZWKOTPCHSA-N 2 1 312.417 2.719 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000414801719 428415199 /nfs/dbraw/zinc/41/51/99/428415199.db2.gz MALHTLCXXILLCN-XGXHKWSGSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@@H]2CCCC[C@H]2C[NH3+])C1 ZINC000414801719 428415203 /nfs/dbraw/zinc/41/52/03/428415203.db2.gz MALHTLCXXILLCN-XGXHKWSGSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000414801717 428416635 /nfs/dbraw/zinc/41/66/35/428416635.db2.gz MALHTLCXXILLCN-BVBHFADKSA-N 2 1 301.478 2.929 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CCCC[C@H]2C[NH3+])C1 ZINC000414801717 428416638 /nfs/dbraw/zinc/41/66/38/428416638.db2.gz MALHTLCXXILLCN-BVBHFADKSA-N 2 1 301.478 2.929 20 0 DFADMP C[N@H+]1CCCC12CCN(C(=O)c1ccc(-n3ccnc3)cc1)CC2 ZINC000378521664 428418070 /nfs/dbraw/zinc/41/80/70/428418070.db2.gz ZAYORBSYNKZWNS-UHFFFAOYSA-N 2 1 324.428 2.573 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CCC[C@H]([C@H](C)[NH3+])C3)cnc21 ZINC000347037866 428419020 /nfs/dbraw/zinc/41/90/20/428419020.db2.gz FZTKGPDDKVXUNC-ZFWWWQNUSA-N 2 1 301.438 2.571 20 0 DFADMP CCC([NH3+])(CC)CNCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414809349 428419361 /nfs/dbraw/zinc/41/93/61/428419361.db2.gz MHKOQHMWGXSZFJ-UHFFFAOYSA-N 2 1 310.511 2.517 20 0 DFADMP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347044338 428423412 /nfs/dbraw/zinc/42/34/12/428423412.db2.gz MZJJOBWYHSHMBJ-LLVKDONJSA-N 2 1 306.303 2.547 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000347044338 428423417 /nfs/dbraw/zinc/42/34/17/428423417.db2.gz MZJJOBWYHSHMBJ-LLVKDONJSA-N 2 1 306.303 2.547 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414826062 428424330 /nfs/dbraw/zinc/42/43/30/428424330.db2.gz ICHWKRJLFCUIPL-GOSISDBHSA-N 2 1 312.461 2.637 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414826063 428425713 /nfs/dbraw/zinc/42/57/13/428425713.db2.gz ICHWKRJLFCUIPL-SFHVURJKSA-N 2 1 312.461 2.637 20 0 DFADMP C[C@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830047 428426999 /nfs/dbraw/zinc/42/69/99/428426999.db2.gz AKGHXUFIBGXUAE-NVXWUHKLSA-N 2 1 309.498 2.665 20 0 DFADMP Cc1c[nH+]ccc1NCc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000357193333 428428433 /nfs/dbraw/zinc/42/84/33/428428433.db2.gz UGGJVLPYTKGEME-MRXNPFEDSA-N 2 1 311.429 2.645 20 0 DFADMP Cc1c[nH+]ccc1NCc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000357193333 428428438 /nfs/dbraw/zinc/42/84/38/428428438.db2.gz UGGJVLPYTKGEME-MRXNPFEDSA-N 2 1 311.429 2.645 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CCCCC1 ZINC000414844629 428430214 /nfs/dbraw/zinc/43/02/14/428430214.db2.gz QABIIOPRCYUROH-UHFFFAOYSA-N 2 1 302.397 2.763 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347062625 428431539 /nfs/dbraw/zinc/43/15/39/428431539.db2.gz ZXMMTAKVQSZUIM-UKRRQHHQSA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC ZINC000347062625 428431544 /nfs/dbraw/zinc/43/15/44/428431544.db2.gz ZXMMTAKVQSZUIM-UKRRQHHQSA-N 2 1 322.449 2.662 20 0 DFADMP C[C@@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000414844918 428433208 /nfs/dbraw/zinc/43/32/08/428433208.db2.gz DFXMLPSTZFPJAN-VXGBXAGGSA-N 2 1 306.841 2.704 20 0 DFADMP OC1(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000342875321 428480191 /nfs/dbraw/zinc/48/01/91/428480191.db2.gz WBHDICRDPAAIIH-UHFFFAOYSA-N 2 1 314.473 2.890 20 0 DFADMP C[NH2+][C@@H](C)C[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000414986139 428480337 /nfs/dbraw/zinc/48/03/37/428480337.db2.gz NMIFCBSLBIUIJK-ZJUUUORDSA-N 2 1 303.219 2.717 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@@H](CC[NH3+])C(F)F ZINC000414984147 428480901 /nfs/dbraw/zinc/48/09/01/428480901.db2.gz DCXNBBHRRLBVPI-HNNXBMFYSA-N 2 1 313.436 2.717 20 0 DFADMP Cn1ccnc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000342876191 428481163 /nfs/dbraw/zinc/48/11/63/428481163.db2.gz OYXKHNWDAISEMB-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP Cn1ccnc1C[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000342876191 428481167 /nfs/dbraw/zinc/48/11/67/428481167.db2.gz OYXKHNWDAISEMB-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP C[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000414991583 428482588 /nfs/dbraw/zinc/48/25/88/428482588.db2.gz SMPWUUZIIOEEJW-VHSXEESVSA-N 2 1 303.219 2.717 20 0 DFADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000415007551 428487692 /nfs/dbraw/zinc/48/76/92/428487692.db2.gz UZBDWCZCKSRKLC-OUAUKWLOSA-N 2 1 300.315 2.942 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)ccc1SC ZINC000415007819 428488697 /nfs/dbraw/zinc/48/86/97/428488697.db2.gz RRHKUWREDWJMKR-LBPRGKRZSA-N 2 1 316.417 2.752 20 0 DFADMP CCC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC000347202553 428491634 /nfs/dbraw/zinc/49/16/34/428491634.db2.gz KQVVQWNPGKZESZ-UHFFFAOYSA-N 2 1 316.424 2.975 20 0 DFADMP CCC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)C1CC[NH2+]CC1 ZINC000347202553 428491638 /nfs/dbraw/zinc/49/16/38/428491638.db2.gz KQVVQWNPGKZESZ-UHFFFAOYSA-N 2 1 316.424 2.975 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@H](C)[NH3+])cc2)cs1 ZINC000415019153 428491841 /nfs/dbraw/zinc/49/18/41/428491841.db2.gz ROKAOKXDJHXKAR-NWDGAFQWSA-N 2 1 305.447 2.856 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415027734 428492436 /nfs/dbraw/zinc/49/24/36/428492436.db2.gz BKTHBBPWOZADAF-OQIJWPOYSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415027734 428492440 /nfs/dbraw/zinc/49/24/40/428492440.db2.gz BKTHBBPWOZADAF-OQIJWPOYSA-N 3 1 301.478 2.757 20 0 DFADMP [NH3+]C[C@H]1CC[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000415029551 428493745 /nfs/dbraw/zinc/49/37/45/428493745.db2.gz DUBBJKKNJRIYSS-LPHOPBHVSA-N 3 1 319.468 2.550 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035639 428494956 /nfs/dbraw/zinc/49/49/56/428494956.db2.gz DXYSCHHNODEASE-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP Cc1oc2ccccc2c1C[N@H+](C)C1CCN(CCO)CC1 ZINC000353353492 428496771 /nfs/dbraw/zinc/49/67/71/428496771.db2.gz PDPCWFZBIORQQM-UHFFFAOYSA-N 2 1 302.418 2.630 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044260 428497869 /nfs/dbraw/zinc/49/78/69/428497869.db2.gz BOHNAUSXCKSNHZ-MLGOLLRUSA-N 2 1 307.413 2.650 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000415042722 428498304 /nfs/dbraw/zinc/49/83/04/428498304.db2.gz VHZVUPBNSCEHLN-INWMFGNUSA-N 2 1 303.450 2.991 20 0 DFADMP C1CC1[C@H]1CCC[C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000415052461 428500126 /nfs/dbraw/zinc/50/01/26/428500126.db2.gz LIBITKJEHMLUCJ-BMHOQUIDSA-N 2 1 305.510 2.761 20 0 DFADMP C1CC1[C@H]1CCC[C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C1 ZINC000415052458 428500135 /nfs/dbraw/zinc/50/01/35/428500135.db2.gz LIBITKJEHMLUCJ-BKVYNOPKSA-N 2 1 305.510 2.761 20 0 DFADMP Cc1cc(C)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(C)c1 ZINC000415051212 428501053 /nfs/dbraw/zinc/50/10/53/428501053.db2.gz JEXBBZFUDMYPNW-UHFFFAOYSA-N 2 1 315.505 2.918 20 0 DFADMP Clc1ccsc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415051953 428501512 /nfs/dbraw/zinc/50/15/12/428501512.db2.gz KFBHGQNMICAIKV-UHFFFAOYSA-N 2 1 313.898 2.708 20 0 DFADMP c1cn(Cc2ccccc2)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000347227780 428502511 /nfs/dbraw/zinc/50/25/11/428502511.db2.gz WJMDTHJAEOHPHX-IBGZPJMESA-N 2 1 324.472 2.895 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCC2)cc1OC(F)F ZINC000415054795 428503009 /nfs/dbraw/zinc/50/30/09/428503009.db2.gz QMKMXMDLMZVFIR-ZDUSSCGKSA-N 2 1 314.376 2.904 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000360945793 428503345 /nfs/dbraw/zinc/50/33/45/428503345.db2.gz GQXMXIGIMSDETP-YESZJQIVSA-N 2 1 311.514 2.637 20 0 DFADMP CCn1c2ccccc2c2cc(C[N@@H+](C)C[C@@H](O)C[NH3+])ccc21 ZINC000415055534 428503416 /nfs/dbraw/zinc/50/34/16/428503416.db2.gz NGVLZDNTHXVHRI-HNNXBMFYSA-N 2 1 311.429 2.566 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353364676 428503597 /nfs/dbraw/zinc/50/35/97/428503597.db2.gz OMCWTWNPTUCHTL-VDGAXYAQSA-N 2 1 316.489 2.815 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415055012 428504176 /nfs/dbraw/zinc/50/41/76/428504176.db2.gz QOWKQCHZRFVACH-MSOLQXFVSA-N 2 1 314.477 2.646 20 0 DFADMP C[C@H](CC[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccccc1 ZINC000415061183 428506443 /nfs/dbraw/zinc/50/64/43/428506443.db2.gz YDQGTRMKUXOJFD-QHGAOEGBSA-N 2 1 315.505 2.986 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H](C[NH3+])C2CCCC2)C1 ZINC000415064718 428506724 /nfs/dbraw/zinc/50/67/24/428506724.db2.gz LHENDIDPXOFDLG-AYOQOUSVSA-N 2 1 301.478 2.929 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415070553 428508558 /nfs/dbraw/zinc/50/85/58/428508558.db2.gz QXHINLPWBAEELC-UHFFFAOYSA-N 2 1 311.429 2.989 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C[C@H]1C[NH3+] ZINC000397349821 428509555 /nfs/dbraw/zinc/50/95/55/428509555.db2.gz HYYPDHZWVYYPMQ-MGPQQGTHSA-N 2 1 323.868 2.974 20 0 DFADMP Fc1ccc(CCN2CCC([NH2+]CCC[NH2+]C3CC3)CC2)cc1 ZINC000415072586 428510639 /nfs/dbraw/zinc/51/06/39/428510639.db2.gz WZDCWBBSBIQBKO-UHFFFAOYSA-N 2 1 319.468 2.564 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1cccnc1OCC(F)(F)F ZINC000415081783 428512800 /nfs/dbraw/zinc/51/28/00/428512800.db2.gz LAYDMVNVZMLFSF-DGCLKSJQSA-N 2 1 317.355 2.643 20 0 DFADMP C[N@@H+](CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CCCC1 ZINC000415079785 428512820 /nfs/dbraw/zinc/51/28/20/428512820.db2.gz KPDWHCUJOMGHEL-IEBWSBKVSA-N 2 1 301.478 2.944 20 0 DFADMP CC(C)(C)NCC[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397643378 428513275 /nfs/dbraw/zinc/51/32/75/428513275.db2.gz UBFWQKAXKGYDCY-UHFFFAOYSA-N 2 1 303.494 2.876 20 0 DFADMP CC(C)(C)[NH2+]CCNCC1CC[NH+](Cc2ccccc2)CC1 ZINC000397643378 428513279 /nfs/dbraw/zinc/51/32/79/428513279.db2.gz UBFWQKAXKGYDCY-UHFFFAOYSA-N 2 1 303.494 2.876 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000398018166 428514511 /nfs/dbraw/zinc/51/45/11/428514511.db2.gz ILYVJPZVVZOJQB-OQIJWPOYSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCCC[C@@H]2C[NH3+])C[N@H+]1Cc1ccccc1 ZINC000398018166 428514514 /nfs/dbraw/zinc/51/45/14/428514514.db2.gz ILYVJPZVVZOJQB-OQIJWPOYSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[NH2+][C@H]1C ZINC000398113435 428517041 /nfs/dbraw/zinc/51/70/41/428517041.db2.gz DVDTXPIMNNXKQT-NEPXVJNWSA-N 2 1 301.478 2.627 20 0 DFADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1)O[C@H]1CCCCO1 ZINC000373116570 428517221 /nfs/dbraw/zinc/51/72/21/428517221.db2.gz XOHPOTJDJNXPPL-ROUUACIJSA-N 2 1 310.482 2.728 20 0 DFADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1)O[C@H]1CCCCO1 ZINC000373116570 428517224 /nfs/dbraw/zinc/51/72/24/428517224.db2.gz XOHPOTJDJNXPPL-ROUUACIJSA-N 2 1 310.482 2.728 20 0 DFADMP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1)O[C@@H]1CCCCO1 ZINC000373116571 428518135 /nfs/dbraw/zinc/51/81/35/428518135.db2.gz XOHPOTJDJNXPPL-ZWKOTPCHSA-N 2 1 310.482 2.728 20 0 DFADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1)O[C@@H]1CCCCO1 ZINC000373116571 428518142 /nfs/dbraw/zinc/51/81/42/428518142.db2.gz XOHPOTJDJNXPPL-ZWKOTPCHSA-N 2 1 310.482 2.728 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(F)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000415100434 428518508 /nfs/dbraw/zinc/51/85/08/428518508.db2.gz GPUSGOFWEPKLKC-VHSXEESVSA-N 2 1 301.203 2.676 20 0 DFADMP C[C@H](N[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000398026302 428518829 /nfs/dbraw/zinc/51/88/29/428518829.db2.gz MBFOMZVZAUHZIA-JFRXWTBNSA-N 2 1 301.478 2.770 20 0 DFADMP Cc1cc(C[N@@H+]2CCCO[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000415104621 428522012 /nfs/dbraw/zinc/52/20/12/428522012.db2.gz HGBBCCHSHGLPHG-CYBMUJFWSA-N 2 1 302.340 2.563 20 0 DFADMP Cc1cc(C[N@H+]2CCCO[C@H](C[NH3+])C2)ccc1C(F)(F)F ZINC000415104621 428522018 /nfs/dbraw/zinc/52/20/18/428522018.db2.gz HGBBCCHSHGLPHG-CYBMUJFWSA-N 2 1 302.340 2.563 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H](C)[C@H]1CC[NH2+]C1)c1ccccc1 ZINC000415110318 428524287 /nfs/dbraw/zinc/52/42/87/428524287.db2.gz SMJVRQZXKRZRRK-XIRDDKMYSA-N 2 1 304.434 2.657 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415118721 428525821 /nfs/dbraw/zinc/52/58/21/428525821.db2.gz DWUCYGUURZDCJQ-GDBMZVCRSA-N 2 1 306.450 2.901 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415129410 428532073 /nfs/dbraw/zinc/53/20/73/428532073.db2.gz PJMJXERAFRBDFU-HOCLYGCPSA-N 2 1 306.450 2.901 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)cc1C ZINC000415124167 428529077 /nfs/dbraw/zinc/52/90/77/428529077.db2.gz BTESYRMUDWURRB-MOPGFXCFSA-N 2 1 314.473 2.812 20 0 DFADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000415125493 428529145 /nfs/dbraw/zinc/52/91/45/428529145.db2.gz LHDQSIJLROXIFR-INMHGKMJSA-N 2 1 305.470 2.590 20 0 DFADMP CCOc1cc(C[N@H+](C)CCC[NH2+]C)cc(Cl)c1OC ZINC000415125418 428529714 /nfs/dbraw/zinc/52/97/14/428529714.db2.gz DVEDLWABRGQHFG-UHFFFAOYSA-N 2 1 300.830 2.789 20 0 DFADMP CCOc1cc(C[N@@H+](C)CCC[NH2+]C)cc(Cl)c1OC ZINC000415125418 428529718 /nfs/dbraw/zinc/52/97/18/428529718.db2.gz DVEDLWABRGQHFG-UHFFFAOYSA-N 2 1 300.830 2.789 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390551565 428472454 /nfs/dbraw/zinc/47/24/54/428472454.db2.gz CQNYNUHPGGPHCA-YTQUADARSA-N 2 1 301.478 2.771 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c(SC)cc1OC ZINC000414977276 428477889 /nfs/dbraw/zinc/47/78/89/428477889.db2.gz RDAOTYUWJHSXJW-INIZCTEOSA-N 2 1 324.490 2.903 20 0 DFADMP C[N@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000390915887 428477978 /nfs/dbraw/zinc/47/79/78/428477978.db2.gz UHTRNXWMQAKWJW-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000390915887 428477987 /nfs/dbraw/zinc/47/79/87/428477987.db2.gz UHTRNXWMQAKWJW-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+]1CCC[C@@H]1CN[C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000390915887 428477993 /nfs/dbraw/zinc/47/79/93/428477993.db2.gz UHTRNXWMQAKWJW-RTBURBONSA-N 2 1 315.505 2.971 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000414975272 428478563 /nfs/dbraw/zinc/47/85/63/428478563.db2.gz FZAWMLYBGHJZFN-GFCCVEGCSA-N 2 1 312.339 2.718 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](C[C@@H](C)c1ccccc1)[C@H](C)CO ZINC000347445239 428581718 /nfs/dbraw/zinc/58/17/18/428581718.db2.gz JQOUEABMXKTRFL-HZPDHXFCSA-N 2 1 301.434 2.678 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](C[C@@H](C)c1ccccc1)[C@H](C)CO ZINC000347445239 428581722 /nfs/dbraw/zinc/58/17/22/428581722.db2.gz JQOUEABMXKTRFL-HZPDHXFCSA-N 2 1 301.434 2.678 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353530478 428581840 /nfs/dbraw/zinc/58/18/40/428581840.db2.gz SRBUXTNPPDOTMP-VQHPVUNQSA-N 2 1 318.461 2.925 20 0 DFADMP COC1(C[N@@H+](C)C[C@H]2CCN(C)[C@@H]2c2cccnc2)CCCC1 ZINC000361610427 428583577 /nfs/dbraw/zinc/58/35/77/428583577.db2.gz MVJJTHYIEFJAEN-QZTJIDSGSA-N 2 1 317.477 2.965 20 0 DFADMP CO[C@H]1C[C@@H](CN(C)c2cc[nH+]c3cc(F)ccc32)[N@H+](C)C1 ZINC000343881028 428590112 /nfs/dbraw/zinc/59/01/12/428590112.db2.gz SEPYBJSIRRBJHR-KBPBESRZSA-N 2 1 303.381 2.529 20 0 DFADMP CO[C@H]1C[C@@H](CN(C)c2cc[nH+]c3cc(F)ccc32)[N@@H+](C)C1 ZINC000343881028 428590114 /nfs/dbraw/zinc/59/01/14/428590114.db2.gz SEPYBJSIRRBJHR-KBPBESRZSA-N 2 1 303.381 2.529 20 0 DFADMP COc1ccccc1[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000358265243 428591083 /nfs/dbraw/zinc/59/10/83/428591083.db2.gz ZJAHSKOPMGUKIK-RBUKOAKNSA-N 2 1 318.461 2.583 20 0 DFADMP COc1ccccc1[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000358265243 428591088 /nfs/dbraw/zinc/59/10/88/428591088.db2.gz ZJAHSKOPMGUKIK-RBUKOAKNSA-N 2 1 318.461 2.583 20 0 DFADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)nn1 ZINC000415128530 428532274 /nfs/dbraw/zinc/53/22/74/428532274.db2.gz OGKXNIZCJNRGRW-LJQANCHMSA-N 2 1 321.428 2.727 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccccc1-n1ccnn1 ZINC000353437121 428532571 /nfs/dbraw/zinc/53/25/71/428532571.db2.gz DBFXZZMVXIOQGM-CQSZACIVSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000415131055 428533260 /nfs/dbraw/zinc/53/32/60/428533260.db2.gz RUQSZKMHBRSRRP-GJZGRUSLSA-N 2 1 305.441 2.843 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000415131055 428533266 /nfs/dbraw/zinc/53/32/66/428533266.db2.gz RUQSZKMHBRSRRP-GJZGRUSLSA-N 2 1 305.441 2.843 20 0 DFADMP C[C@H](CC[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21)c1ccccc1 ZINC000415137719 428534001 /nfs/dbraw/zinc/53/40/01/428534001.db2.gz JDIWZYWFNDFCPS-QRQLOZEOSA-N 2 1 314.473 2.881 20 0 DFADMP C[NH2+]CCC[N@H+](C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000415138514 428534245 /nfs/dbraw/zinc/53/42/45/428534245.db2.gz VOWFLTWQUUYHMM-UHFFFAOYSA-N 2 1 320.355 2.678 20 0 DFADMP C[NH2+]CCC[N@@H+](C)Cc1ccc(OCC(F)(F)F)c(OC)c1 ZINC000415138514 428534248 /nfs/dbraw/zinc/53/42/48/428534248.db2.gz VOWFLTWQUUYHMM-UHFFFAOYSA-N 2 1 320.355 2.678 20 0 DFADMP C[C@H]1CC[N@H+](Cc2c(C3CC3)nc3sccn23)C[C@@H]1C[NH3+] ZINC000415138173 428534439 /nfs/dbraw/zinc/53/44/39/428534439.db2.gz YMJYWXXUERVHHM-AAEUAGOBSA-N 2 1 304.463 2.690 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c(C3CC3)nc3sccn23)C[C@@H]1C[NH3+] ZINC000415138173 428534447 /nfs/dbraw/zinc/53/44/47/428534447.db2.gz YMJYWXXUERVHHM-AAEUAGOBSA-N 2 1 304.463 2.690 20 0 DFADMP COc1ccc(OC)c(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353433968 428534763 /nfs/dbraw/zinc/53/47/63/428534763.db2.gz HSWSVXAHXCRXMS-BBWFWOEESA-N 2 1 304.434 2.666 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C[C@@H]1C[NH3+] ZINC000415136607 428535587 /nfs/dbraw/zinc/53/55/87/428535587.db2.gz XKDUNGMIFHTSJA-STQMWFEESA-N 2 1 304.463 2.565 20 0 DFADMP CC(C)c1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1 ZINC000415138213 428535606 /nfs/dbraw/zinc/53/56/06/428535606.db2.gz YOZHTYQEGZMRCG-SFHVURJKSA-N 2 1 313.449 2.697 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000353438785 428536186 /nfs/dbraw/zinc/53/61/86/428536186.db2.gz VULKAKCOXXNUQI-WJFTUGDTSA-N 2 1 301.478 2.752 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000353438785 428536189 /nfs/dbraw/zinc/53/61/89/428536189.db2.gz VULKAKCOXXNUQI-WJFTUGDTSA-N 2 1 301.478 2.752 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000353438785 428536192 /nfs/dbraw/zinc/53/61/92/428536192.db2.gz VULKAKCOXXNUQI-WJFTUGDTSA-N 2 1 301.478 2.752 20 0 DFADMP CCCc1cccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c1 ZINC000415141709 428537092 /nfs/dbraw/zinc/53/70/92/428537092.db2.gz PVKPFRVKOBSXSC-MOPGFXCFSA-N 2 1 314.473 2.840 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353439351 428538142 /nfs/dbraw/zinc/53/81/42/428538142.db2.gz WRSLWCZLDRNOTQ-UFYCRDLUSA-N 2 1 324.472 2.894 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccsc1 ZINC000353449746 428538843 /nfs/dbraw/zinc/53/88/43/428538843.db2.gz SFWZOGTYMAJWSR-WCXIOVBPSA-N 2 1 307.507 2.813 20 0 DFADMP CN(Cc1ccnn1-c1ccc(F)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000353446018 428539074 /nfs/dbraw/zinc/53/90/74/428539074.db2.gz FJXSUHOCDMGAOK-OAHLLOKOSA-N 2 1 316.424 2.785 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]C[C@@H]3CCSC3)CC2)oc1C ZINC000373303960 428541506 /nfs/dbraw/zinc/54/15/06/428541506.db2.gz LCVILLQZPYJAKI-INIZCTEOSA-N 2 1 323.506 2.846 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@@H]1CCC[NH2+]1 ZINC000400454641 428545559 /nfs/dbraw/zinc/54/55/59/428545559.db2.gz RZRALHZIDPUAQX-WDSOQIARSA-N 2 1 303.494 2.873 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454988 428545839 /nfs/dbraw/zinc/54/58/39/428545839.db2.gz NBWYLIVALMNSSD-AKHDSKFASA-N 2 1 319.468 2.891 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454988 428545846 /nfs/dbraw/zinc/54/58/46/428545846.db2.gz NBWYLIVALMNSSD-AKHDSKFASA-N 2 1 319.468 2.891 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)c1ccc(F)cc1 ZINC000353454988 428545851 /nfs/dbraw/zinc/54/58/51/428545851.db2.gz NBWYLIVALMNSSD-AKHDSKFASA-N 2 1 319.468 2.891 20 0 DFADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478455 428546347 /nfs/dbraw/zinc/54/63/47/428546347.db2.gz VQDVMDHKUPBIGC-NTHMGXEOSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478455 428546351 /nfs/dbraw/zinc/54/63/51/428546351.db2.gz VQDVMDHKUPBIGC-NTHMGXEOSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000400478455 428546355 /nfs/dbraw/zinc/54/63/55/428546355.db2.gz VQDVMDHKUPBIGC-NTHMGXEOSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]1CN(C(=O)CCCC[NH3+])[C@H](C)[C@@H](C)[N@H+]1Cc1ccccc1 ZINC000404314470 428566800 /nfs/dbraw/zinc/56/68/00/428566800.db2.gz NIDKIBFBUZFMOJ-BRWVUGGUSA-N 2 1 317.477 2.625 20 0 DFADMP c1ccc([C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)[C@@H]2CCOC2)cc1 ZINC000357840376 428567661 /nfs/dbraw/zinc/56/76/61/428567661.db2.gz KBZGZJKJFFUGDB-YRXWBPOGSA-N 2 1 300.446 2.981 20 0 DFADMP Cc1cc(Cl)cc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000353500625 428567686 /nfs/dbraw/zinc/56/76/86/428567686.db2.gz GJJSXVOVZFLMPF-UHFFFAOYSA-N 2 1 309.885 2.718 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000353501363 428568073 /nfs/dbraw/zinc/56/80/73/428568073.db2.gz MOQYKKQJGKLAGK-WMZOPIPTSA-N 2 1 319.493 2.790 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)c1 ZINC000404362881 428568638 /nfs/dbraw/zinc/56/86/38/428568638.db2.gz GCWNERYALIWKOQ-YOEHRIQHSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])c(C)c1 ZINC000404362881 428568644 /nfs/dbraw/zinc/56/86/44/428568644.db2.gz GCWNERYALIWKOQ-YOEHRIQHSA-N 2 1 303.450 2.691 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404399312 428570065 /nfs/dbraw/zinc/57/00/65/428570065.db2.gz QBKXFLBRISRFQU-HZPDHXFCSA-N 2 1 306.450 2.913 20 0 DFADMP C[C@H]1CCC[N@H+](CCCn2c3ccccc3[nH]c2=O)[C@@H]1CC[NH3+] ZINC000404351802 428570230 /nfs/dbraw/zinc/57/02/30/428570230.db2.gz JSZKWBMOGIYUBO-GOEBONIOSA-N 2 1 316.449 2.581 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCn2c3ccccc3[nH]c2=O)[C@@H]1CC[NH3+] ZINC000404351802 428570235 /nfs/dbraw/zinc/57/02/35/428570235.db2.gz JSZKWBMOGIYUBO-GOEBONIOSA-N 2 1 316.449 2.581 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](CC)[C@H]2CCOC2)[C@@H](C)C1 ZINC000361491930 428570283 /nfs/dbraw/zinc/57/02/83/428570283.db2.gz BPOCPCLNRJUHNP-FJIDUMEYSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000361455798 428571441 /nfs/dbraw/zinc/57/14/41/428571441.db2.gz FYRXCOFQWULQPP-NZSAHSFTSA-N 3 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCn3ccnc3C2)CC[N@H+]1Cc1ccccc1 ZINC000361455798 428571443 /nfs/dbraw/zinc/57/14/43/428571443.db2.gz FYRXCOFQWULQPP-NZSAHSFTSA-N 3 1 324.472 2.841 20 0 DFADMP CC(C)[C@@H](CNC1CC[NH+](C)CC1)[N@H+]1CCc2ccccc2C1 ZINC000358002568 428574846 /nfs/dbraw/zinc/57/48/46/428574846.db2.gz GRJOKCPBJWTKNQ-HXUWFJFHSA-N 2 1 315.505 2.753 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC2 ZINC000358020989 428577412 /nfs/dbraw/zinc/57/74/12/428577412.db2.gz SNJKFADDLCNPPB-SRABZTEZSA-N 2 1 304.482 2.640 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000347532554 428598475 /nfs/dbraw/zinc/59/84/75/428598475.db2.gz UMRYHTHBJZSJNR-HZPDHXFCSA-N 2 1 311.514 2.781 20 0 DFADMP C[NH+](C)CCOc1cnccc1C[NH2+][C@H]1CCCc2occc21 ZINC000343970036 428599062 /nfs/dbraw/zinc/59/90/62/428599062.db2.gz BYIRTNSWVDOFAD-INIZCTEOSA-N 2 1 315.417 2.782 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(C(C)=O)c3ccccc32)[C@H](C)C1 ZINC000358374725 428599268 /nfs/dbraw/zinc/59/92/68/428599268.db2.gz OZIRTZUXIURKEV-JLSDUUJJSA-N 2 1 315.461 2.804 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H](C)C[N@H+](C)C(C)C)CC2)n1 ZINC000353569339 428600348 /nfs/dbraw/zinc/60/03/48/428600348.db2.gz BXMQKHOOVIJZQZ-WLYUNCDWSA-N 2 1 308.470 2.977 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H](C)C[N@@H+](C)C(C)C)CC2)n1 ZINC000353569339 428600351 /nfs/dbraw/zinc/60/03/51/428600351.db2.gz BXMQKHOOVIJZQZ-WLYUNCDWSA-N 2 1 308.470 2.977 20 0 DFADMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)oc1C ZINC000373550621 428605015 /nfs/dbraw/zinc/60/50/15/428605015.db2.gz HRKULGVFKZEBDW-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)oc1C ZINC000373550621 428605018 /nfs/dbraw/zinc/60/50/18/428605018.db2.gz HRKULGVFKZEBDW-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)C1CC[NH+](C2CCC(C)CC2)CC1 ZINC000373600562 428615886 /nfs/dbraw/zinc/61/58/86/428615886.db2.gz DIULEACDIGPMRC-BDVYOWHSSA-N 2 1 314.539 2.685 20 0 DFADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)CCC(F)(F)F ZINC000353608009 428619414 /nfs/dbraw/zinc/61/94/14/428619414.db2.gz QUOHMZNVIKGBBM-RRFJBIMHSA-N 2 1 321.431 2.723 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@H]1C ZINC000415948854 428634681 /nfs/dbraw/zinc/63/46/81/428634681.db2.gz YVDNOLWHOFVCCQ-RHSMWYFYSA-N 2 1 318.465 2.743 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@]1(C)OCCc2sccc21 ZINC000353621592 428625859 /nfs/dbraw/zinc/62/58/59/428625859.db2.gz KOAXIXUBSJIGSY-LNCBFAARSA-N 2 1 308.491 2.854 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415917667 428626724 /nfs/dbraw/zinc/62/67/24/428626724.db2.gz JQCQGLWGLFZXBL-KRWDZBQOSA-N 2 1 318.465 2.792 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(N2CCCC2=O)c1 ZINC000344299962 428629438 /nfs/dbraw/zinc/62/94/38/428629438.db2.gz GNBVUZINDIFWDU-HNNXBMFYSA-N 2 1 313.445 2.726 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)C1 ZINC000344302006 428629575 /nfs/dbraw/zinc/62/95/75/428629575.db2.gz VKJGFHHWQLKSBM-XDNAFOTISA-N 2 1 306.494 2.902 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCCCn1cc[nH+]c1C ZINC000415934151 428630083 /nfs/dbraw/zinc/63/00/83/428630083.db2.gz RGHCDMANYLISRK-UHFFFAOYSA-N 2 1 315.421 2.513 20 0 DFADMP CCCCn1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(C)n1 ZINC000353628792 428631589 /nfs/dbraw/zinc/63/15/89/428631589.db2.gz BWAZIROJPFGQDL-RCCFBDPRSA-N 2 1 304.482 2.954 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)[C@H](C)C1 ZINC000415947646 428632423 /nfs/dbraw/zinc/63/24/23/428632423.db2.gz WYSLSAKGQOGNDB-RHSMWYFYSA-N 2 1 318.465 2.600 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000415939042 428632977 /nfs/dbraw/zinc/63/29/77/428632977.db2.gz ZRZOEGAJLNWHSV-CQSZACIVSA-N 2 1 306.454 2.648 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCc2ccc(OC)cc21 ZINC000268837112 274022633 /nfs/dbraw/zinc/02/26/33/274022633.db2.gz SJJBWELDOSJWLU-SFHVURJKSA-N 2 1 306.450 2.631 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)[C@@H]2CCC[C@@H]21 ZINC000353647232 428636554 /nfs/dbraw/zinc/63/65/54/428636554.db2.gz QZHVPNOTLKDBGF-WDSOQIARSA-N 2 1 324.472 3.109 20 0 DFADMP C[C@H](CNC(=O)Nc1ccc(C[NH3+])cc1)[N@H+]1CCCC[C@H]1C ZINC000415972152 428637177 /nfs/dbraw/zinc/63/71/77/428637177.db2.gz HJMYADQIENVQHR-ZIAGYGMSSA-N 2 1 304.438 2.530 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415970498 428637756 /nfs/dbraw/zinc/63/77/56/428637756.db2.gz IFZQVWFABIARGG-HUUCEWRRSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000415970500 428638058 /nfs/dbraw/zinc/63/80/58/428638058.db2.gz IFZQVWFABIARGG-LSDHHAIUSA-N 2 1 318.465 2.648 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415967197 428638662 /nfs/dbraw/zinc/63/86/62/428638662.db2.gz BDYLWJGQWASQSM-OAHLLOKOSA-N 2 1 318.465 2.921 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415975671 428640143 /nfs/dbraw/zinc/64/01/43/428640143.db2.gz MQLXOKTWRAWGBR-CQSZACIVSA-N 2 1 318.465 2.777 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358720768 428641294 /nfs/dbraw/zinc/64/12/94/428641294.db2.gz VTWXNJGTWDIMMT-AYOQOUSVSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000358720768 428641300 /nfs/dbraw/zinc/64/13/00/428641300.db2.gz VTWXNJGTWDIMMT-AYOQOUSVSA-N 2 1 302.462 2.790 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1C ZINC000415948855 428635423 /nfs/dbraw/zinc/63/54/23/428635423.db2.gz YVDNOLWHOFVCCQ-WMLDXEAASA-N 2 1 318.465 2.743 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3CCc4[nH]cnc4C3)CC2)C1 ZINC000353642000 428635511 /nfs/dbraw/zinc/63/55/11/428635511.db2.gz KINVGCNJVKQCJI-DJIMGWMZSA-N 2 1 316.493 2.900 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCNc2ccc3ccccc3n2)[C@@H]2CCC[C@H]21 ZINC000353647233 428635853 /nfs/dbraw/zinc/63/58/53/428635853.db2.gz QZHVPNOTLKDBGF-YTQUADARSA-N 2 1 324.472 3.109 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000353664724 428646249 /nfs/dbraw/zinc/64/62/49/428646249.db2.gz QGBYLHUSZCRYPE-OFQRWUPVSA-N 2 1 323.506 2.621 20 0 DFADMP C[C@@H](CO)[N@@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000364957137 274227837 /nfs/dbraw/zinc/22/78/37/274227837.db2.gz VAJWVXLKNHBDMZ-ZDUSSCGKSA-N 2 1 319.836 2.781 20 0 DFADMP C[C@@H](CO)[N@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000364957137 274227839 /nfs/dbraw/zinc/22/78/39/274227839.db2.gz VAJWVXLKNHBDMZ-ZDUSSCGKSA-N 2 1 319.836 2.781 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1)CC(C)C ZINC000358742471 428654778 /nfs/dbraw/zinc/65/47/78/428654778.db2.gz FFZXFQZODLPBTJ-MRXNPFEDSA-N 2 1 311.514 2.543 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCOC1 ZINC000119651031 274243954 /nfs/dbraw/zinc/24/39/54/274243954.db2.gz APCGEWLOTNVXQF-WBVHZDCISA-N 2 1 320.452 2.847 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1ccccc1)c1ccncn1 ZINC000358757565 428661958 /nfs/dbraw/zinc/66/19/58/428661958.db2.gz XDMDGBAEISAPFO-BEFAXECRSA-N 2 1 321.428 2.997 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000360575476 274334917 /nfs/dbraw/zinc/33/49/17/274334917.db2.gz YBSXRQJSDVCFQR-RKVPGOIHSA-N 2 1 305.441 2.582 20 0 DFADMP O[C@@]1(C[NH2+]CC2CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344522700 428672213 /nfs/dbraw/zinc/67/22/13/428672213.db2.gz HWJGSTJNZLROTL-LJQANCHMSA-N 2 1 302.462 2.793 20 0 DFADMP O[C@@]1(C[NH2+]CC2CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344522700 428672217 /nfs/dbraw/zinc/67/22/17/428672217.db2.gz HWJGSTJNZLROTL-LJQANCHMSA-N 2 1 302.462 2.793 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353764410 428704515 /nfs/dbraw/zinc/70/45/15/428704515.db2.gz XYBRFDRVFUMHQM-QZTJIDSGSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000353779688 428711539 /nfs/dbraw/zinc/71/15/39/428711539.db2.gz QTLMXXSZLHRNGK-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP C[C@@H](C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000374610768 428712649 /nfs/dbraw/zinc/71/26/49/428712649.db2.gz HTGLDMLYQFARPW-ZWKOTPCHSA-N 2 1 315.505 2.890 20 0 DFADMP COCCc1nc(C)c([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000362343961 428713237 /nfs/dbraw/zinc/71/32/37/428713237.db2.gz XFCXPTFHPUJMNS-CFVMTHIKSA-N 2 1 323.506 2.918 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000362343961 428713244 /nfs/dbraw/zinc/71/32/44/428713244.db2.gz XFCXPTFHPUJMNS-CFVMTHIKSA-N 2 1 323.506 2.918 20 0 DFADMP COCCc1nc(C)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000362343961 428713246 /nfs/dbraw/zinc/71/32/46/428713246.db2.gz XFCXPTFHPUJMNS-CFVMTHIKSA-N 2 1 323.506 2.918 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CC1CCC1)[C@H](C)CO ZINC000348356047 428717186 /nfs/dbraw/zinc/71/71/86/428717186.db2.gz NPJLIHHSWFDRGO-CQSZACIVSA-N 2 1 314.433 2.559 20 0 DFADMP CSC1(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348362739 428720518 /nfs/dbraw/zinc/72/05/18/428720518.db2.gz ZHTDUBCIWKSCGJ-CALCHBBNSA-N 2 1 302.487 2.946 20 0 DFADMP CSC1(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348362739 428720523 /nfs/dbraw/zinc/72/05/23/428720523.db2.gz ZHTDUBCIWKSCGJ-CALCHBBNSA-N 2 1 302.487 2.946 20 0 DFADMP CSC1(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CC1 ZINC000348362739 428720526 /nfs/dbraw/zinc/72/05/26/428720526.db2.gz ZHTDUBCIWKSCGJ-CALCHBBNSA-N 2 1 302.487 2.946 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1C ZINC000362386160 428726380 /nfs/dbraw/zinc/72/63/80/428726380.db2.gz ODZKFLRCWIBTSQ-NEWSRXKRSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)c1C ZINC000362386160 428726385 /nfs/dbraw/zinc/72/63/85/428726385.db2.gz ODZKFLRCWIBTSQ-NEWSRXKRSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)c1C ZINC000362386160 428726389 /nfs/dbraw/zinc/72/63/89/428726389.db2.gz ODZKFLRCWIBTSQ-NEWSRXKRSA-N 2 1 316.493 2.826 20 0 DFADMP CCCn1nc(C)c(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)c1C ZINC000362386160 428726393 /nfs/dbraw/zinc/72/63/93/428726393.db2.gz ODZKFLRCWIBTSQ-NEWSRXKRSA-N 2 1 316.493 2.826 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](CO)c2ccccc2Cl)[C@@H](C)C1 ZINC000348403401 428732964 /nfs/dbraw/zinc/73/29/64/428732964.db2.gz LVGGUHNOEFFESI-ZQIUZPCESA-N 2 1 310.869 2.736 20 0 DFADMP CC[N@@H+](CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000416155448 428679303 /nfs/dbraw/zinc/67/93/03/428679303.db2.gz DGSLQYBBNIMFMI-QGZVFWFLSA-N 2 1 305.466 2.526 20 0 DFADMP CCCCNC(=O)C1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000348257336 428681721 /nfs/dbraw/zinc/68/17/21/428681721.db2.gz RNYAJELVCCEXEW-INIZCTEOSA-N 2 1 309.498 2.680 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348259499 428682835 /nfs/dbraw/zinc/68/28/35/428682835.db2.gz FZHHKROELYQDMV-UHOSZYNNSA-N 2 1 302.462 2.913 20 0 DFADMP Cc1nccc(N2CC[NH+](CCc3cccc(Cl)c3)CC2)n1 ZINC000362285910 428687042 /nfs/dbraw/zinc/68/70/42/428687042.db2.gz PBXTVXWMVKIQSR-UHFFFAOYSA-N 2 1 316.836 2.803 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275500 428689308 /nfs/dbraw/zinc/68/93/08/428689308.db2.gz CIPGQIGWLHFEFE-QAPCUYQASA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275500 428689312 /nfs/dbraw/zinc/68/93/12/428689312.db2.gz CIPGQIGWLHFEFE-QAPCUYQASA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275500 428689317 /nfs/dbraw/zinc/68/93/17/428689317.db2.gz CIPGQIGWLHFEFE-QAPCUYQASA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275500 428689325 /nfs/dbraw/zinc/68/93/25/428689325.db2.gz CIPGQIGWLHFEFE-QAPCUYQASA-N 2 1 313.449 2.792 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000348290250 428695219 /nfs/dbraw/zinc/69/52/19/428695219.db2.gz BLYWYIICGVHTEJ-UONOGXRCSA-N 2 1 319.371 2.749 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1[C@@H](O)C(F)(F)F ZINC000348290250 428695221 /nfs/dbraw/zinc/69/52/21/428695221.db2.gz BLYWYIICGVHTEJ-UONOGXRCSA-N 2 1 319.371 2.749 20 0 DFADMP C[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCCCCO)CC2 ZINC000374843550 428762495 /nfs/dbraw/zinc/76/24/95/428762495.db2.gz IQPBHPOHRZJCBC-OAHLLOKOSA-N 2 1 323.506 2.592 20 0 DFADMP C[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH+](CCCCCO)CC2 ZINC000374843550 428762498 /nfs/dbraw/zinc/76/24/98/428762498.db2.gz IQPBHPOHRZJCBC-OAHLLOKOSA-N 2 1 323.506 2.592 20 0 DFADMP c1cc(CN2CC[N@H+]3CCC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000411253913 428767316 /nfs/dbraw/zinc/76/73/16/428767316.db2.gz HHATZUWPJCNCMT-HXUWFJFHSA-N 2 1 313.489 2.953 20 0 DFADMP C[C@H](C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374878167 428773119 /nfs/dbraw/zinc/77/31/19/428773119.db2.gz QNFZGUHIKIBWQW-UYAOXDASSA-N 2 1 315.505 2.892 20 0 DFADMP C[C@H](C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374878167 428773125 /nfs/dbraw/zinc/77/31/25/428773125.db2.gz QNFZGUHIKIBWQW-UYAOXDASSA-N 2 1 315.505 2.892 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000345146529 428773311 /nfs/dbraw/zinc/77/33/11/428773311.db2.gz BDSZDYLCEDOTPA-WMLDXEAASA-N 2 1 306.450 2.566 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CC1 ZINC000345171277 428782038 /nfs/dbraw/zinc/78/20/38/428782038.db2.gz VHMGRSGEYNPIPQ-UHFFFAOYSA-N 2 1 314.351 2.979 20 0 DFADMP CC(C)SCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000374911257 428783976 /nfs/dbraw/zinc/78/39/76/428783976.db2.gz KVKNLXPLDZYXKM-IYBDPMFKSA-N 2 1 314.539 2.949 20 0 DFADMP CSc1cc2c(cc1C[NH2+]CC1=CC[N@@H+](C)CC1)OCCO2 ZINC000345173764 428784874 /nfs/dbraw/zinc/78/48/74/428784874.db2.gz MOCHGYBUNIKPNP-UHFFFAOYSA-N 2 1 320.458 2.531 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)[C@@H]1C ZINC000353944126 428789189 /nfs/dbraw/zinc/78/91/89/428789189.db2.gz JSYKXTKZKRVNBD-NCOADZHNSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000353828106 428737408 /nfs/dbraw/zinc/73/74/08/428737408.db2.gz QIPXFLYIQOTFDR-IPMKNSEASA-N 2 1 317.477 2.506 20 0 DFADMP CNC(=O)CCC[N@@H+](C)Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411402111 428792119 /nfs/dbraw/zinc/79/21/19/428792119.db2.gz OVQBUVWYXLTFPE-UHFFFAOYSA-N 2 1 317.477 2.631 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCC[NH2+][C@@H]2CCCc3nn(C)cc32)C1 ZINC000358934740 428739003 /nfs/dbraw/zinc/73/90/03/428739003.db2.gz KZJBDBOPMIWWOZ-BFYDXBDKSA-N 2 1 304.482 2.755 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(OCCCOC)cc2)[C@@H](C)C1 ZINC000353851804 428749238 /nfs/dbraw/zinc/74/92/38/428749238.db2.gz ANJJFNNUFSXSDK-QFBILLFUSA-N 2 1 320.477 2.922 20 0 DFADMP C[N@H+]1CCCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411153109 428749421 /nfs/dbraw/zinc/74/94/21/428749421.db2.gz IUAXLNSQAIKJGH-UHFFFAOYSA-N 2 1 301.478 2.810 20 0 DFADMP CN1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411153109 428749427 /nfs/dbraw/zinc/74/94/27/428749427.db2.gz IUAXLNSQAIKJGH-UHFFFAOYSA-N 2 1 301.478 2.810 20 0 DFADMP CN1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000411153109 428749432 /nfs/dbraw/zinc/74/94/32/428749432.db2.gz IUAXLNSQAIKJGH-UHFFFAOYSA-N 2 1 301.478 2.810 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000353985708 428804566 /nfs/dbraw/zinc/80/45/66/428804566.db2.gz DRDSRMDWASQSCL-IBGZPJMESA-N 2 1 316.493 2.510 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2ccccn2)CC1 ZINC000353985708 428804572 /nfs/dbraw/zinc/80/45/72/428804572.db2.gz DRDSRMDWASQSCL-IBGZPJMESA-N 2 1 316.493 2.510 20 0 DFADMP Cc1csc(CNC2CC[NH+](CCC(F)(F)F)CC2)n1 ZINC000359101869 428817348 /nfs/dbraw/zinc/81/73/48/428817348.db2.gz FEJMHTCJKVCYFK-UHFFFAOYSA-N 2 1 307.385 2.958 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC[C@H]1O ZINC000411562759 428817472 /nfs/dbraw/zinc/81/74/72/428817472.db2.gz BYISKQJHJBYHEL-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)C[C@@H]2CCC(C)(C)O2)[C@@H]1c1cccnc1 ZINC000411584684 428818341 /nfs/dbraw/zinc/81/83/41/428818341.db2.gz QVRZGPVXASKQRT-BZSNNMDCSA-N 2 1 317.477 2.964 20 0 DFADMP OC[C@@H]1C[C@H](F)C[N@@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411603837 428821922 /nfs/dbraw/zinc/82/19/22/428821922.db2.gz FKXKJAUVEZXKLA-ROUUACIJSA-N 2 1 306.425 2.577 20 0 DFADMP OC[C@@H]1C[C@H](F)C[N@H+]1Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411603837 428821925 /nfs/dbraw/zinc/82/19/25/428821925.db2.gz FKXKJAUVEZXKLA-ROUUACIJSA-N 2 1 306.425 2.577 20 0 DFADMP CC[C@H]1CCCC[C@H]1[N@@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000411599729 428822117 /nfs/dbraw/zinc/82/21/17/428822117.db2.gz COJQVPOITCRGDG-FUHWJXTLSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@H]1CO ZINC000411620002 428825492 /nfs/dbraw/zinc/82/54/92/428825492.db2.gz PJIDKLZSVOEUPN-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117265 428825748 /nfs/dbraw/zinc/82/57/48/428825748.db2.gz SFRMQAJNIVDHAN-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117265 428825756 /nfs/dbraw/zinc/82/57/56/428825756.db2.gz SFRMQAJNIVDHAN-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)C1 ZINC000359117265 428825762 /nfs/dbraw/zinc/82/57/62/428825762.db2.gz SFRMQAJNIVDHAN-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000362979496 428831570 /nfs/dbraw/zinc/83/15/70/428831570.db2.gz HBCKYGQFTBAFOF-GFCCVEGCSA-N 2 1 323.343 2.598 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccc1OC ZINC000349059966 428909035 /nfs/dbraw/zinc/90/90/35/428909035.db2.gz CWSFDMVWNSJGKG-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP CCC[N@H+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000348864423 428863691 /nfs/dbraw/zinc/86/36/91/428863691.db2.gz FCVMBDMVWXOWCQ-QGZVFWFLSA-N 2 1 317.477 2.624 20 0 DFADMP CCC[N@@H+](CC)CC(=O)N1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC000348864423 428863696 /nfs/dbraw/zinc/86/36/96/428863696.db2.gz FCVMBDMVWXOWCQ-QGZVFWFLSA-N 2 1 317.477 2.624 20 0 DFADMP OCC[N@@H+](CCC1CC[NH2+]CC1)[C@@H]1CCCc2ccccc21 ZINC000359214950 428869133 /nfs/dbraw/zinc/86/91/33/428869133.db2.gz HWPROZNFQUOYQH-LJQANCHMSA-N 2 1 302.462 2.748 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)oc1C ZINC000363190645 428878632 /nfs/dbraw/zinc/87/86/32/428878632.db2.gz XWFGDAQIEORCNJ-ZIAGYGMSSA-N 2 1 321.465 2.613 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1O ZINC000375430159 428881000 /nfs/dbraw/zinc/88/10/00/428881000.db2.gz WOADYAKQRJRGKS-DZGCQCFKSA-N 2 1 315.417 2.523 20 0 DFADMP CCc1oc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C(=O)OC ZINC000354166224 428894303 /nfs/dbraw/zinc/89/43/03/428894303.db2.gz KIISJGSREJXDMQ-GOSISDBHSA-N 2 1 320.433 2.546 20 0 DFADMP CCOC(=O)c1coc(C[NH2+]Cc2ccc(C[NH+](C)C)cc2)c1 ZINC000354167010 428895589 /nfs/dbraw/zinc/89/55/89/428895589.db2.gz VWGQKZAZCVMNJL-UHFFFAOYSA-N 2 1 316.401 2.808 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418192657 428897470 /nfs/dbraw/zinc/89/74/70/428897470.db2.gz ARQWAAHKXRWJIN-LSDHHAIUSA-N 2 1 320.481 2.626 20 0 DFADMP C[C@H]1OCC[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354174345 428898688 /nfs/dbraw/zinc/89/86/88/428898688.db2.gz XCNQNKFNMJDUGX-IPFAQRCESA-N 2 1 300.446 2.949 20 0 DFADMP Cn1c2ccccc2nc1CC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000359290175 428905328 /nfs/dbraw/zinc/90/53/28/428905328.db2.gz QYYPQKDVAPFCIM-UHFFFAOYSA-N 2 1 322.456 2.967 20 0 DFADMP C[C@H](C(=O)N1CCC[C@H]1C[NH+]1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411991915 428905363 /nfs/dbraw/zinc/90/53/63/428905363.db2.gz ZELWTJGOGFMVTF-XDNAFOTISA-N 2 1 321.509 2.725 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226433 428926874 /nfs/dbraw/zinc/92/68/74/428926874.db2.gz WDCNXBVJWAEHNP-WMLDXEAASA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)C[C@@H]1C ZINC000354226433 428926883 /nfs/dbraw/zinc/92/68/83/428926883.db2.gz WDCNXBVJWAEHNP-WMLDXEAASA-N 2 1 321.440 2.959 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@H]2C)C[C@H]1C ZINC000354223020 428928367 /nfs/dbraw/zinc/92/83/67/428928367.db2.gz KRNKJGWEZKVUEI-OBVSXPTNSA-N 2 1 323.525 2.732 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226709 428929169 /nfs/dbraw/zinc/92/91/69/428929169.db2.gz XMZSOFFQTOSARS-KSSFIOAISA-N 2 1 303.450 2.950 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226709 428929176 /nfs/dbraw/zinc/92/91/76/428929176.db2.gz XMZSOFFQTOSARS-KSSFIOAISA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226709 428929179 /nfs/dbraw/zinc/92/91/79/428929179.db2.gz XMZSOFFQTOSARS-KSSFIOAISA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(NC(C)=O)c2)C[C@@H]1C ZINC000354226709 428929187 /nfs/dbraw/zinc/92/91/87/428929187.db2.gz XMZSOFFQTOSARS-KSSFIOAISA-N 2 1 303.450 2.950 20 0 DFADMP CC(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000363538178 428936181 /nfs/dbraw/zinc/93/61/81/428936181.db2.gz NZCTULLHXOHXOO-APAFKAMOSA-N 2 1 324.509 2.527 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354251046 428939374 /nfs/dbraw/zinc/93/93/74/428939374.db2.gz BTYHMKOHNSWNEA-DLBZAZTESA-N 2 1 309.498 2.534 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000349196278 428939726 /nfs/dbraw/zinc/93/97/26/428939726.db2.gz UVDRECIPAPDQRM-KRWDZBQOSA-N 2 1 317.477 2.871 20 0 DFADMP COC(=O)[C@H](C)C[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)c(F)c1 ZINC000375673435 428940854 /nfs/dbraw/zinc/94/08/54/428940854.db2.gz PZRAWLLGEALLSO-NEPJUHHUSA-N 2 1 319.380 2.780 20 0 DFADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000363567346 428944245 /nfs/dbraw/zinc/94/42/45/428944245.db2.gz YSISQPZJADWCQE-KZNAEPCWSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H]1[C@@H](NCCC[NH2+]C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423552406 428971998 /nfs/dbraw/zinc/97/19/98/428971998.db2.gz JWONZBNFKLSAGN-LPHOPBHVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1[C@@H]([NH2+]CCC[NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000423552406 428972002 /nfs/dbraw/zinc/97/20/02/428972002.db2.gz JWONZBNFKLSAGN-LPHOPBHVSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1CCC[C@H](CC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000363615488 428956345 /nfs/dbraw/zinc/95/63/45/428956345.db2.gz JLBILFIDQWDEKV-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP COCCSCCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000375734644 428956538 /nfs/dbraw/zinc/95/65/38/428956538.db2.gz XHOTWNLAHRZKIA-DOTOQJQBSA-N 2 1 312.523 2.705 20 0 DFADMP COCCSCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000375734644 428956542 /nfs/dbraw/zinc/95/65/42/428956542.db2.gz XHOTWNLAHRZKIA-DOTOQJQBSA-N 2 1 312.523 2.705 20 0 DFADMP COCCSCCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000375734644 428956546 /nfs/dbraw/zinc/95/65/46/428956546.db2.gz XHOTWNLAHRZKIA-DOTOQJQBSA-N 2 1 312.523 2.705 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]2CCC1CC2 ZINC000349295919 428956699 /nfs/dbraw/zinc/95/66/99/428956699.db2.gz KZEBJJWVNDVCNP-UHFFFAOYSA-N 2 1 315.505 2.925 20 0 DFADMP Cn1nccc1CN1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000375760123 428962477 /nfs/dbraw/zinc/96/24/77/428962477.db2.gz FGSBYPSYAMTLHN-LJQANCHMSA-N 2 1 310.445 2.518 20 0 DFADMP CCc1ccc(NC(=O)CN(C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000375754209 428963182 /nfs/dbraw/zinc/96/31/82/428963182.db2.gz NKUGXIZMNBXJEU-JWTNVVGKSA-N 2 1 315.461 2.745 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000349343535 428966422 /nfs/dbraw/zinc/96/64/22/428966422.db2.gz GXZAIABSOJEYDH-UHFFFAOYSA-N 2 1 315.446 2.961 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(-n2ccnc2)cs1 ZINC000349343535 428966425 /nfs/dbraw/zinc/96/64/25/428966425.db2.gz GXZAIABSOJEYDH-UHFFFAOYSA-N 2 1 315.446 2.961 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cn(C)c2cc(F)ccc12 ZINC000349357085 428969528 /nfs/dbraw/zinc/96/95/28/428969528.db2.gz SMEJVCHHPMRSDO-CXAGYDPISA-N 2 1 303.425 2.790 20 0 DFADMP Cc1cccc(NC2CC[NH+](Cc3ccc(CO)cc3)CC2)[nH+]1 ZINC000375778299 428969567 /nfs/dbraw/zinc/96/95/67/428969567.db2.gz JFZRLWKQWSPZLR-UHFFFAOYSA-N 2 1 311.429 2.959 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)[C@@H]1C ZINC000354327358 428969717 /nfs/dbraw/zinc/96/97/17/428969717.db2.gz GUTGRZGKNMFCRG-QZWWFDLISA-N 2 1 310.482 2.674 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000375907434 429015087 /nfs/dbraw/zinc/01/50/87/429015087.db2.gz SCOPGMGQAPYTHL-IEBWSBKVSA-N 2 1 301.478 2.848 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+] ZINC000423792303 429021359 /nfs/dbraw/zinc/02/13/59/429021359.db2.gz DFLHPLMFESOYRS-ZACQAIPSSA-N 2 1 309.498 2.521 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423796000 429023490 /nfs/dbraw/zinc/02/34/90/429023490.db2.gz GRZSFYDZVGWBAM-RHSMWYFYSA-N 2 1 303.450 2.557 20 0 DFADMP CCc1cccc(F)c1C[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000354330386 428973047 /nfs/dbraw/zinc/97/30/47/428973047.db2.gz AEPCBDQSWBFBQG-UHFFFAOYSA-N 2 1 321.484 2.751 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CCCO1 ZINC000433024405 428979416 /nfs/dbraw/zinc/97/94/16/428979416.db2.gz WYXCKJKYDFLZEQ-PMPSAXMXSA-N 2 1 314.539 2.997 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CCCO1 ZINC000433024402 428979779 /nfs/dbraw/zinc/97/97/79/428979779.db2.gz WYXCKJKYDFLZEQ-BZUAXINKSA-N 2 1 314.539 2.997 20 0 DFADMP CC(C)[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CS1 ZINC000433025212 428980184 /nfs/dbraw/zinc/98/01/84/428980184.db2.gz IXJIQIYCNQHHCQ-OAGGEKHMSA-N 2 1 300.512 2.607 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375819338 428984627 /nfs/dbraw/zinc/98/46/27/428984627.db2.gz ZSTBHABTUHFDBS-CVEARBPZSA-N 2 1 320.481 2.900 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375819338 428984628 /nfs/dbraw/zinc/98/46/28/428984628.db2.gz ZSTBHABTUHFDBS-CVEARBPZSA-N 2 1 320.481 2.900 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375814886 428985575 /nfs/dbraw/zinc/98/55/75/428985575.db2.gz NSRGTMWXBZBHMA-XHSDSOJGSA-N 2 1 320.481 2.947 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H](C)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375814886 428985583 /nfs/dbraw/zinc/98/55/83/428985583.db2.gz NSRGTMWXBZBHMA-XHSDSOJGSA-N 2 1 320.481 2.947 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375819340 428985797 /nfs/dbraw/zinc/98/57/97/428985797.db2.gz ZSTBHABTUHFDBS-HOTGVXAUSA-N 2 1 320.481 2.900 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000375819340 428985806 /nfs/dbraw/zinc/98/58/06/428985806.db2.gz ZSTBHABTUHFDBS-HOTGVXAUSA-N 2 1 320.481 2.900 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1(CO)CC(c2ccccc2)C1 ZINC000433085241 428992493 /nfs/dbraw/zinc/99/24/93/428992493.db2.gz UDMCLXLHUQFCRH-LJZGOAPGSA-N 2 1 316.489 2.861 20 0 DFADMP COCC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000375839306 428992995 /nfs/dbraw/zinc/99/29/95/428992995.db2.gz IAOFNYSSUQBNCB-HZPDHXFCSA-N 2 1 303.381 2.704 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000423726744 429004907 /nfs/dbraw/zinc/00/49/07/429004907.db2.gz KGGFXYQYEVIRMW-XHSDSOJGSA-N 2 1 307.482 2.512 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000423721889 429005843 /nfs/dbraw/zinc/00/58/43/429005843.db2.gz CJNBJTRRKNGYTP-YYIAUSFCSA-N 2 1 323.525 2.874 20 0 DFADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375897130 429012007 /nfs/dbraw/zinc/01/20/07/429012007.db2.gz DJEKRPFJFNDABN-WJFTUGDTSA-N 2 1 302.462 2.745 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2cc3c(ccc(C)c3C)[nH]2)CC1 ZINC000349602005 429012842 /nfs/dbraw/zinc/01/28/42/429012842.db2.gz USBNFXYGGHNHFC-UHFFFAOYSA-N 2 1 315.461 2.985 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H](C)c3ccccc3)C2)CC1 ZINC000375907435 429014001 /nfs/dbraw/zinc/01/40/01/429014001.db2.gz SCOPGMGQAPYTHL-MJGOQNOKSA-N 2 1 301.478 2.848 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2c1ccc(F)c2Br)[C@H](C)[NH3+] ZINC000423457156 429091112 /nfs/dbraw/zinc/09/11/12/429091112.db2.gz FNSSKCKTIVSCIH-JOAULVNJSA-N 2 1 301.203 2.901 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1(CC)CC ZINC000423472275 429092767 /nfs/dbraw/zinc/09/27/67/429092767.db2.gz HXIXHXMLTOADMS-BFHYXJOUSA-N 2 1 304.425 2.805 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000434504694 429092792 /nfs/dbraw/zinc/09/27/92/429092792.db2.gz VSOBDYBNJMNINT-ZIFCJYIRSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000434504694 429092795 /nfs/dbraw/zinc/09/27/95/429092795.db2.gz VSOBDYBNJMNINT-ZIFCJYIRSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000434504694 429092802 /nfs/dbraw/zinc/09/28/02/429092802.db2.gz VSOBDYBNJMNINT-ZIFCJYIRSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@@H](C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000434504694 429092806 /nfs/dbraw/zinc/09/28/06/429092806.db2.gz VSOBDYBNJMNINT-ZIFCJYIRSA-N 2 1 317.477 2.650 20 0 DFADMP CN(Cc1cccnc1)C[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000434499353 429093147 /nfs/dbraw/zinc/09/31/47/429093147.db2.gz YAGRMQUDUNMJSO-RTBURBONSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000434499353 429093153 /nfs/dbraw/zinc/09/31/53/429093153.db2.gz YAGRMQUDUNMJSO-RTBURBONSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000434499353 429093156 /nfs/dbraw/zinc/09/31/56/429093156.db2.gz YAGRMQUDUNMJSO-RTBURBONSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000434499353 429093162 /nfs/dbraw/zinc/09/31/62/429093162.db2.gz YAGRMQUDUNMJSO-RTBURBONSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000434499353 429093165 /nfs/dbraw/zinc/09/31/65/429093165.db2.gz YAGRMQUDUNMJSO-RTBURBONSA-N 2 1 317.477 2.795 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)CCCS2 ZINC000423489445 429095860 /nfs/dbraw/zinc/09/58/60/429095860.db2.gz FZUQRTLAMWWHOF-GDBMZVCRSA-N 2 1 322.474 2.590 20 0 DFADMP CC(C)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CNCCN1C)CCCO2 ZINC000423485514 429096072 /nfs/dbraw/zinc/09/60/72/429096072.db2.gz AUPFZBAJROKYTN-FUHWJXTLSA-N 2 1 317.477 2.517 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423485874 429096410 /nfs/dbraw/zinc/09/64/10/429096410.db2.gz RZBWLGRFPVWTLJ-QYZOEREBSA-N 3 1 301.478 2.944 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423485874 429096414 /nfs/dbraw/zinc/09/64/14/429096414.db2.gz RZBWLGRFPVWTLJ-QYZOEREBSA-N 3 1 301.478 2.944 20 0 DFADMP CC[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000421872221 429044487 /nfs/dbraw/zinc/04/44/87/429044487.db2.gz GNTPSLVLIJUBLJ-OKYOBFRVSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC[C@H](CC(C)(C)C)C2)CC1 ZINC000452081159 429052125 /nfs/dbraw/zinc/05/21/25/429052125.db2.gz PWCXFMDHAOCLJJ-MRXNPFEDSA-N 2 1 323.525 2.734 20 0 DFADMP FC(F)(F)[C@H]1C[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000423280544 429055893 /nfs/dbraw/zinc/05/58/93/429055893.db2.gz SWGLMQOIYDDSPC-UONOGXRCSA-N 2 1 308.388 2.998 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CC([NH3+])(CC)CC)[C@@H]1Oc1ccccc1 ZINC000423281835 429056012 /nfs/dbraw/zinc/05/60/12/429056012.db2.gz BZQRTTMGUOWWRV-BBWFWOEESA-N 2 1 306.450 2.719 20 0 DFADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000423283336 429056181 /nfs/dbraw/zinc/05/61/81/429056181.db2.gz XATNFWNPTLTRIG-YOEHRIQHSA-N 2 1 316.449 2.633 20 0 DFADMP CC(C)[C@H]([NH3+])CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423282364 429056576 /nfs/dbraw/zinc/05/65/76/429056576.db2.gz VVZNPTSRBAMQOV-MTQWCTHYSA-N 2 1 315.505 2.860 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccccc21 ZINC000423284057 429057309 /nfs/dbraw/zinc/05/73/09/429057309.db2.gz XNBVXJHIAAPEOS-IXDOHACOSA-N 2 1 304.434 2.741 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)C12CCOCC2 ZINC000423285472 429057322 /nfs/dbraw/zinc/05/73/22/429057322.db2.gz YDNSRPTVOXZEAW-QZTJIDSGSA-N 2 1 324.509 2.863 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1 ZINC000423283854 429058109 /nfs/dbraw/zinc/05/81/09/429058109.db2.gz WKULAAWWMJPOCX-GUYCJALGSA-N 2 1 318.465 2.948 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H]1CCC[C@@H](c2cccc(Cl)c2)C1 ZINC000423484729 429096930 /nfs/dbraw/zinc/09/69/30/429096930.db2.gz AIUJTWAVXSFULZ-KBAYOESNSA-N 2 1 321.896 2.859 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@H]4CCC[NH2+]C4)[C@@H]3C2)cc1 ZINC000423306181 429060041 /nfs/dbraw/zinc/06/00/41/429060041.db2.gz SHPWNHIPHGWURQ-VNTMZGSJSA-N 3 1 313.489 2.629 20 0 DFADMP Clc1cc2c(c(Br)c1)CC[C@@H]2[NH2+]CC1C[NH2+]C1 ZINC000423304240 429061171 /nfs/dbraw/zinc/06/11/71/429061171.db2.gz NQIKBTYDBJAICZ-ZDUSSCGKSA-N 2 1 315.642 2.899 20 0 DFADMP CCC[NH2+]CCN[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423305739 429061359 /nfs/dbraw/zinc/06/13/59/429061359.db2.gz COROJOYCJLWUPZ-REPLKXPHSA-N 2 1 301.478 2.771 20 0 DFADMP CC[N@@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412558139 429062409 /nfs/dbraw/zinc/06/24/09/429062409.db2.gz KNWGRLBBMKAALZ-INIZCTEOSA-N 2 1 307.413 2.700 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412558139 429062414 /nfs/dbraw/zinc/06/24/14/429062414.db2.gz KNWGRLBBMKAALZ-INIZCTEOSA-N 2 1 307.413 2.700 20 0 DFADMP CC[N@@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412558141 429062852 /nfs/dbraw/zinc/06/28/52/429062852.db2.gz KNWGRLBBMKAALZ-MRXNPFEDSA-N 2 1 307.413 2.700 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000412558141 429062855 /nfs/dbraw/zinc/06/28/55/429062855.db2.gz KNWGRLBBMKAALZ-MRXNPFEDSA-N 2 1 307.413 2.700 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCC1)c1ccc(OCc2nccn2C)cc1 ZINC000423320382 429063633 /nfs/dbraw/zinc/06/36/33/429063633.db2.gz GEZQIFYHNFBUST-AWEZNQCLSA-N 2 1 314.433 2.531 20 0 DFADMP COCCC[C@H](C)[NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(OC)cc1 ZINC000423329394 429064579 /nfs/dbraw/zinc/06/45/79/429064579.db2.gz LLXGAXDWYRGXPX-JCGIZDLHSA-N 2 1 306.450 2.545 20 0 DFADMP COCCC[C@H]([NH2+][C@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000423329825 429064778 /nfs/dbraw/zinc/06/47/78/429064778.db2.gz OYROEFJJGUAVEU-RISCZKNCSA-N 2 1 315.255 2.854 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C[NH3+])C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000423960708 429065582 /nfs/dbraw/zinc/06/55/82/429065582.db2.gz NMDHTLLMNQVWCO-MSOLQXFVSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423338711 429068258 /nfs/dbraw/zinc/06/82/58/429068258.db2.gz UUVLQRLHCXSKPM-HOJAQTOUSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338711 429068264 /nfs/dbraw/zinc/06/82/64/429068264.db2.gz UUVLQRLHCXSKPM-HOJAQTOUSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338711 429068270 /nfs/dbraw/zinc/06/82/70/429068270.db2.gz UUVLQRLHCXSKPM-HOJAQTOUSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338711 429068275 /nfs/dbraw/zinc/06/82/75/429068275.db2.gz UUVLQRLHCXSKPM-HOJAQTOUSA-N 2 1 315.505 2.876 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]([NH3+])C2CC2)CC1 ZINC000423334531 429068536 /nfs/dbraw/zinc/06/85/36/429068536.db2.gz WQHHXCRKHFUAPU-ACBHZAAOSA-N 3 1 301.478 2.757 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](N)C2CC2)CC1 ZINC000423334531 429068540 /nfs/dbraw/zinc/06/85/40/429068540.db2.gz WQHHXCRKHFUAPU-ACBHZAAOSA-N 2 1 301.478 2.757 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H](N)C2CC2)CC1 ZINC000423334531 429068544 /nfs/dbraw/zinc/06/85/44/429068544.db2.gz WQHHXCRKHFUAPU-ACBHZAAOSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H](NC[C@@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423345617 429068946 /nfs/dbraw/zinc/06/89/46/429068946.db2.gz PGPGUZCNRPCAFH-SXLOBPIMSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423345617 429068950 /nfs/dbraw/zinc/06/89/50/429068950.db2.gz PGPGUZCNRPCAFH-SXLOBPIMSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423345617 429068955 /nfs/dbraw/zinc/06/89/55/429068955.db2.gz PGPGUZCNRPCAFH-SXLOBPIMSA-N 3 1 315.505 2.876 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]C[C@@]1(C)CCC[NH2+]C1)CCCO2 ZINC000423351384 429069056 /nfs/dbraw/zinc/06/90/56/429069056.db2.gz ZAHBLONKRDIELT-AEFFLSMTSA-N 2 1 304.434 2.888 20 0 DFADMP Cn1ccc([C@H]([NH2+]CC2=CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000423348188 429070587 /nfs/dbraw/zinc/07/05/87/429070587.db2.gz SDOQQIMSLDWYEC-QGZVFWFLSA-N 2 1 316.836 2.672 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H]3[C@@H]4CCO[C@H]4C3(C)C)CC2)[nH+]1 ZINC000376176509 429071745 /nfs/dbraw/zinc/07/17/45/429071745.db2.gz BSIUBAXGQCJSCB-CGTJXYLNSA-N 2 1 315.461 2.762 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@@H](C)C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000423365775 429074483 /nfs/dbraw/zinc/07/44/83/429074483.db2.gz PSGASNYWUBHJFV-QLFBSQMISA-N 2 1 303.450 2.557 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](Cc3ccccc3)[C@H]2C)CC[NH2+]1 ZINC000423368955 429074609 /nfs/dbraw/zinc/07/46/09/429074609.db2.gz BMAJFUGODONSEC-JFRXWTBNSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(Cc3ccccc3)[C@H]2C)CC[NH2+]1 ZINC000423368955 429074613 /nfs/dbraw/zinc/07/46/13/429074613.db2.gz BMAJFUGODONSEC-JFRXWTBNSA-N 2 1 301.478 2.770 20 0 DFADMP COCCOCC[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000376202731 429075571 /nfs/dbraw/zinc/07/55/71/429075571.db2.gz DYLGVUXHOBAAPW-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000376202731 429075577 /nfs/dbraw/zinc/07/55/77/429075577.db2.gz DYLGVUXHOBAAPW-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000376202731 429075579 /nfs/dbraw/zinc/07/55/79/429075579.db2.gz DYLGVUXHOBAAPW-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000376202731 429075584 /nfs/dbraw/zinc/07/55/84/429075584.db2.gz DYLGVUXHOBAAPW-IBGZPJMESA-N 2 1 320.477 2.636 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[NH2+][C@H]2C)c1 ZINC000423378795 429075964 /nfs/dbraw/zinc/07/59/64/429075964.db2.gz ZYDHWFWHNWJXDT-MAUKXSAKSA-N 2 1 317.477 2.531 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@H]1CC[NH2+][C@@H](C)C1)CCC2 ZINC000423380480 429076447 /nfs/dbraw/zinc/07/64/47/429076447.db2.gz MSOBDGYTCJTCAJ-FPMFFAJLSA-N 2 1 320.433 2.872 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000423377242 429077483 /nfs/dbraw/zinc/07/74/83/429077483.db2.gz FCJZCFDOWDWNIA-CSLYMUCUSA-N 2 1 310.482 2.866 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423397915 429082108 /nfs/dbraw/zinc/08/21/08/429082108.db2.gz VDQLNNMSEGJGPX-RDJZCZTQSA-N 2 1 317.477 2.796 20 0 DFADMP [NH3+][C@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000423419295 429085723 /nfs/dbraw/zinc/08/57/23/429085723.db2.gz VOYQBPHXOFKBOD-ZWKOTPCHSA-N 2 1 321.509 2.665 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000423434308 429086950 /nfs/dbraw/zinc/08/69/50/429086950.db2.gz KLWWTDFNAJRRLN-WMLDXEAASA-N 2 1 303.450 2.653 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423449038 429088314 /nfs/dbraw/zinc/08/83/14/429088314.db2.gz VVTNKBQPIHAZQY-KCXAZCMYSA-N 2 1 303.450 2.801 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423449038 429088317 /nfs/dbraw/zinc/08/83/17/429088317.db2.gz VVTNKBQPIHAZQY-KCXAZCMYSA-N 2 1 303.450 2.801 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000434446848 429088782 /nfs/dbraw/zinc/08/87/82/429088782.db2.gz RFVSOQGTGIKSHD-INIZCTEOSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000434446848 429088786 /nfs/dbraw/zinc/08/87/86/429088786.db2.gz RFVSOQGTGIKSHD-INIZCTEOSA-N 2 1 318.465 2.530 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423449040 429088927 /nfs/dbraw/zinc/08/89/27/429088927.db2.gz VVTNKBQPIHAZQY-WQVCFCJDSA-N 2 1 303.450 2.801 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+][C@H]1CC(C)(C)Oc2ccc(N)cc21 ZINC000423449040 429088928 /nfs/dbraw/zinc/08/89/28/429088928.db2.gz VVTNKBQPIHAZQY-WQVCFCJDSA-N 2 1 303.450 2.801 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000487319662 429149590 /nfs/dbraw/zinc/14/95/90/429149590.db2.gz MPCLGAFBUXTVMH-VDZJLULYSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CC1(C)C ZINC000487319662 429149591 /nfs/dbraw/zinc/14/95/91/429149591.db2.gz MPCLGAFBUXTVMH-VDZJLULYSA-N 2 1 302.462 2.648 20 0 DFADMP Nc1cccc(C[N@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435613874 429152338 /nfs/dbraw/zinc/15/23/38/429152338.db2.gz CUIVWJNPQZUEOL-IBGZPJMESA-N 2 1 310.445 2.808 20 0 DFADMP Nc1cccc(C[N@@H+](Cc2ccccn2)[C@H]2CCC[NH2+]CC2)c1 ZINC000435613874 429152343 /nfs/dbraw/zinc/15/23/43/429152343.db2.gz CUIVWJNPQZUEOL-IBGZPJMESA-N 2 1 310.445 2.808 20 0 DFADMP COC[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000376651889 429153960 /nfs/dbraw/zinc/15/39/60/429153960.db2.gz NWKBCMXJEZDOPA-LSDHHAIUSA-N 2 1 305.809 2.829 20 0 DFADMP CCCCOc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423492614 429098700 /nfs/dbraw/zinc/09/87/00/429098700.db2.gz NYFJALSJRKQZCQ-QAPCUYQASA-N 2 1 306.450 2.895 20 0 DFADMP CC(=O)NCCc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1 ZINC000423496630 429099070 /nfs/dbraw/zinc/09/90/70/429099070.db2.gz FBUXCNOARSICON-LIRRHRJNSA-N 2 1 317.477 2.533 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000423493860 429099589 /nfs/dbraw/zinc/09/95/89/429099589.db2.gz CGQGNQZLJCDPNL-UJMXGEILSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000423493860 429099592 /nfs/dbraw/zinc/09/95/92/429099592.db2.gz CGQGNQZLJCDPNL-UJMXGEILSA-N 2 1 313.489 2.899 20 0 DFADMP CC[N@H+]1CCC[C@@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000424156193 429100170 /nfs/dbraw/zinc/10/01/70/429100170.db2.gz NZJPULVYHDPODL-DLBZAZTESA-N 2 1 309.498 2.665 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)cc1NC(C)=O ZINC000423505052 429100979 /nfs/dbraw/zinc/10/09/79/429100979.db2.gz HBOXMOOXUIRTNJ-SJCJKPOMSA-N 2 1 319.449 2.822 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]C[C@H]2c2ccccc2)C1 ZINC000423506506 429101192 /nfs/dbraw/zinc/10/11/92/429101192.db2.gz HWMWKTUQTWYHHA-AKHDSKFASA-N 2 1 324.472 2.792 20 0 DFADMP COc1ccc([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1NC(C)=O ZINC000423503859 429101232 /nfs/dbraw/zinc/10/12/32/429101232.db2.gz FIJDARSGXUZTFB-FHSNZYRGSA-N 2 1 319.449 2.631 20 0 DFADMP CCc1cccnc1[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423503779 429101363 /nfs/dbraw/zinc/10/13/63/429101363.db2.gz GCLQAGOCMHPVBH-FAEJEUNOSA-N 2 1 316.493 2.511 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1F ZINC000423505815 429101850 /nfs/dbraw/zinc/10/18/50/429101850.db2.gz HYQBOVMDICSXSY-QQFBHYJXSA-N 2 1 305.441 2.693 20 0 DFADMP c1[nH+]c(C2CC[NH+](CCOCC3CC3)CC2)n2c1CCCC2 ZINC000434688013 429104301 /nfs/dbraw/zinc/10/43/01/429104301.db2.gz HEBIAKCEXRONLH-UHFFFAOYSA-N 2 1 303.450 2.825 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423514504 429106376 /nfs/dbraw/zinc/10/63/76/429106376.db2.gz TTZUDALDTPBLMS-FHSNZYRGSA-N 2 1 319.449 2.631 20 0 DFADMP CC(C)[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cccnc1 ZINC000423525905 429108386 /nfs/dbraw/zinc/10/83/86/429108386.db2.gz YUTLBOGAFGBQHV-ACBHZAAOSA-N 2 1 316.493 2.585 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1cccc(N2CCCC2=O)c1 ZINC000423528474 429110288 /nfs/dbraw/zinc/11/02/88/429110288.db2.gz OGUFPOZGQXZGQI-CQSZACIVSA-N 2 1 301.434 2.606 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)c2sccc2C[NH+](C)C)c1 ZINC000424242847 429113720 /nfs/dbraw/zinc/11/37/20/429113720.db2.gz OZESSKPKHFSWFE-UHFFFAOYSA-N 2 1 303.431 2.829 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424284232 429119993 /nfs/dbraw/zinc/11/99/93/429119993.db2.gz DDAYVTDQKUNGRP-INIZCTEOSA-N 2 1 318.461 2.928 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1ccn(-c3ccccc3)n1)CC[NH2+]CC2 ZINC000424291405 429121780 /nfs/dbraw/zinc/12/17/80/429121780.db2.gz NUNMSSMHKPGMAH-INIZCTEOSA-N 2 1 310.445 2.836 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424300571 429122765 /nfs/dbraw/zinc/12/27/65/429122765.db2.gz WUBJYEGXZGHULV-INIZCTEOSA-N 2 1 315.461 2.706 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C1 ZINC000424303233 429123363 /nfs/dbraw/zinc/12/33/63/429123363.db2.gz NPSAVKFNLLXFKW-WBVHZDCISA-N 2 1 307.457 2.532 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cnn(Cc3ccccc3)c1)CC[NH2+]CC2 ZINC000424371277 429132387 /nfs/dbraw/zinc/13/23/87/429132387.db2.gz DIRVPHRZYXCPDO-KRWDZBQOSA-N 2 1 324.472 2.895 20 0 DFADMP COc1cccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1OC ZINC000424378505 429132474 /nfs/dbraw/zinc/13/24/74/429132474.db2.gz NHOKWFRXAMVKJW-CQSZACIVSA-N 2 1 304.434 2.668 20 0 DFADMP CCn1ccnc1C[N@@H+](CC1CCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435680464 429157224 /nfs/dbraw/zinc/15/72/24/429157224.db2.gz GHQRPMYUWHJLQV-MRXNPFEDSA-N 2 1 302.466 2.647 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435373170 429134049 /nfs/dbraw/zinc/13/40/49/429134049.db2.gz MKRYGXGTJMJUMO-KDOFPFPSSA-N 2 1 311.429 2.926 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1CC[C@H]([NH3+])[C@H](C)C1 ZINC000435373170 429134051 /nfs/dbraw/zinc/13/40/51/429134051.db2.gz MKRYGXGTJMJUMO-KDOFPFPSSA-N 2 1 311.429 2.926 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)CCOC2CCC2)[C@@H]1c1cccnc1 ZINC000376560292 429136215 /nfs/dbraw/zinc/13/62/15/429136215.db2.gz BJUGJQBGSXMOCO-WMZOPIPTSA-N 2 1 303.450 2.575 20 0 DFADMP C[C@H](C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000494658920 429136977 /nfs/dbraw/zinc/13/69/77/429136977.db2.gz JXPJXGUJKFSMEW-LJISPDSOSA-N 2 1 313.486 2.751 20 0 DFADMP C[C@H](C[C@H](C)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)NC(=O)OC(C)(C)C ZINC000494658920 429136983 /nfs/dbraw/zinc/13/69/83/429136983.db2.gz JXPJXGUJKFSMEW-LJISPDSOSA-N 2 1 313.486 2.751 20 0 DFADMP c1csc(C[N@H+](C[C@@H]2CCCOC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000435425281 429138382 /nfs/dbraw/zinc/13/83/82/429138382.db2.gz CEIYIUOJNGUPBS-LSDHHAIUSA-N 2 1 321.490 2.514 20 0 DFADMP Cc1ccccc1C[N@@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435428339 429141109 /nfs/dbraw/zinc/14/11/09/429141109.db2.gz RSGUCPBNAZPURX-SFHVURJKSA-N 2 1 324.472 2.873 20 0 DFADMP Cc1ccccc1C[N@H+](Cc1nccn1C)[C@H]1CC12CC[NH2+]CC2 ZINC000435428339 429141111 /nfs/dbraw/zinc/14/11/11/429141111.db2.gz RSGUCPBNAZPURX-SFHVURJKSA-N 2 1 324.472 2.873 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435437483 429141360 /nfs/dbraw/zinc/14/13/60/429141360.db2.gz KTFYICIOBJDZHJ-INIZCTEOSA-N 2 1 302.397 2.585 20 0 DFADMP C[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@H]1CCC[NH2+]CC1 ZINC000435437483 429141365 /nfs/dbraw/zinc/14/13/65/429141365.db2.gz KTFYICIOBJDZHJ-INIZCTEOSA-N 2 1 302.397 2.585 20 0 DFADMP COCCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435689030 429159978 /nfs/dbraw/zinc/15/99/78/429159978.db2.gz VSVNBNZWCJYPRF-AWEZNQCLSA-N 2 1 309.479 2.514 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CC[N@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364034777 429160548 /nfs/dbraw/zinc/16/05/48/429160548.db2.gz HUAZCOSPJSDHKQ-YOEHRIQHSA-N 2 1 324.538 2.593 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@@H]1C ZINC000364034777 429160551 /nfs/dbraw/zinc/16/05/51/429160551.db2.gz HUAZCOSPJSDHKQ-YOEHRIQHSA-N 2 1 324.538 2.593 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[NH+]2C2CCCCC2)C[N@H+]1C1CC1 ZINC000435749091 429162321 /nfs/dbraw/zinc/16/23/21/429162321.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@@H+]2C2CCCCC2)C[NH+]1C1CC1 ZINC000435749091 429162328 /nfs/dbraw/zinc/16/23/28/429162328.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CCC[N@H+]2C2CCCCC2)C[NH+]1C1CC1 ZINC000435749091 429162330 /nfs/dbraw/zinc/16/23/30/429162330.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749091 429162335 /nfs/dbraw/zinc/16/23/35/429162335.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 2 1 305.510 2.998 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CN1C1CC1 ZINC000435749091 429162338 /nfs/dbraw/zinc/16/23/38/429162338.db2.gz RDDLEQULLCYBKM-JTDSTZFVSA-N 2 1 305.510 2.998 20 0 DFADMP OCCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000279612125 275046141 /nfs/dbraw/zinc/04/61/41/275046141.db2.gz QZGQBOJMUJVGIK-IPMKNSEASA-N 2 1 302.462 2.649 20 0 DFADMP Cn1nccc1CC[N@@H+](C)C1CCN(Cc2ccccc2)CC1 ZINC000364301196 429177758 /nfs/dbraw/zinc/17/77/58/429177758.db2.gz LARDYPQKJUBZLE-UHFFFAOYSA-N 2 1 312.461 2.559 20 0 DFADMP CC(C)[C@@](C)(O)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364352800 429188797 /nfs/dbraw/zinc/18/87/97/429188797.db2.gz LKLNPYSADPGZKV-SFHVURJKSA-N 2 1 305.466 2.637 20 0 DFADMP Cc1cc(N2CCC[N@H+](Cc3cnn(C(C)C)c3)CC2)cc[nH+]1 ZINC000364363564 429191707 /nfs/dbraw/zinc/19/17/07/429191707.db2.gz MGEIFTSTWHFOTK-UHFFFAOYSA-N 2 1 313.449 2.880 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000436278292 429194455 /nfs/dbraw/zinc/19/44/55/429194455.db2.gz CHVPPMOFKAKPJD-ZDUSSCGKSA-N 2 1 304.463 2.960 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CC(O)(Cc3cccc(F)c3)C2)[C@@H](C)C1 ZINC000364482661 429212024 /nfs/dbraw/zinc/21/20/24/429212024.db2.gz JHLDAPCFUJEMBI-YUCBAPQESA-N 2 1 320.452 2.582 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[N@H+]2C[C@@H]1CC ZINC000489049292 429216255 /nfs/dbraw/zinc/21/62/55/429216255.db2.gz XYHZOZGETSEDEP-ZWKOTPCHSA-N 2 1 323.525 2.974 20 0 DFADMP CC(C)[N@@H+](C)CCNC(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C ZINC000455899074 429223025 /nfs/dbraw/zinc/22/30/25/429223025.db2.gz FLNPIFULZIRNHU-QGZVFWFLSA-N 2 1 318.465 2.697 20 0 DFADMP Cc1noc(C2(C)CC[NH+](CCC[NH+]3CCCCC3)CC2)n1 ZINC000364605342 429232884 /nfs/dbraw/zinc/23/28/84/429232884.db2.gz GJOWXTGQWLNBDL-UHFFFAOYSA-N 2 1 306.454 2.608 20 0 DFADMP C[C@@H](C(=O)N1CC[NH+](C2CCCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000488774014 429198830 /nfs/dbraw/zinc/19/88/30/429198830.db2.gz XIKDQABELYDNOV-BBWFWOEESA-N 2 1 321.509 2.725 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000364438453 429203622 /nfs/dbraw/zinc/20/36/22/429203622.db2.gz AUUXEBZXAQJIMY-SZMVWBNQSA-N 2 1 318.461 2.989 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccccc1C(F)(F)F ZINC000442767301 429235610 /nfs/dbraw/zinc/23/56/10/429235610.db2.gz YFVWBYJEJGOKSX-RYUDHWBXSA-N 2 1 302.340 2.753 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000442926548 429241445 /nfs/dbraw/zinc/24/14/45/429241445.db2.gz YXXOMRTUPLTNJR-CQSZACIVSA-N 2 1 314.433 2.646 20 0 DFADMP Clc1cc2c(c(C[NH2+][C@H]3CCc4[nH+]ccn4C3)c1)OCC2 ZINC000364663274 429245346 /nfs/dbraw/zinc/24/53/46/429245346.db2.gz VPVCNLSUCYQPHL-AWEZNQCLSA-N 2 1 303.793 2.576 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CC1CCN(C(=O)OC(C)(C)C)CC1 ZINC000495713283 429252714 /nfs/dbraw/zinc/25/27/14/429252714.db2.gz WUFPCALZVQSZHK-UHFFFAOYSA-N 2 1 313.486 2.517 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425277828 429256565 /nfs/dbraw/zinc/25/65/65/429256565.db2.gz CVASQGWKTUDJSF-YVEFUNNKSA-N 2 1 315.392 2.913 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425277828 429256566 /nfs/dbraw/zinc/25/65/66/429256566.db2.gz CVASQGWKTUDJSF-YVEFUNNKSA-N 2 1 315.392 2.913 20 0 DFADMP COC1(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)CCOCC1 ZINC000364762755 429263252 /nfs/dbraw/zinc/26/32/52/429263252.db2.gz BXKWHDUYGNSBJI-HOCLYGCPSA-N 2 1 324.490 2.526 20 0 DFADMP COc1cc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C ZINC000364762322 429264221 /nfs/dbraw/zinc/26/42/21/429264221.db2.gz ZAPDNNNFSDVRRX-ZIFCJYIRSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)ccc1C ZINC000364762322 429264225 /nfs/dbraw/zinc/26/42/25/429264225.db2.gz ZAPDNNNFSDVRRX-ZIFCJYIRSA-N 2 1 318.461 2.687 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCCC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000449161659 429347431 /nfs/dbraw/zinc/34/74/31/429347431.db2.gz GJONRVIIVQIBTP-UYAOXDASSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000449161659 429347435 /nfs/dbraw/zinc/34/74/35/429347435.db2.gz GJONRVIIVQIBTP-UYAOXDASSA-N 2 1 314.473 2.936 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)C[C@]1(C)CCN(C(=O)OC(C)(C)C)C1 ZINC000497272717 429322945 /nfs/dbraw/zinc/32/29/45/429322945.db2.gz TUFFGCHMKKFKJZ-KRWDZBQOSA-N 2 1 313.486 2.517 20 0 DFADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CC3)CC1)OCCCCO2 ZINC000449069029 429324336 /nfs/dbraw/zinc/32/43/36/429324336.db2.gz DRLMFYVKINEHSV-UHFFFAOYSA-N 2 1 316.445 2.954 20 0 DFADMP COCCOc1ccc(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000365469882 429324610 /nfs/dbraw/zinc/32/46/10/429324610.db2.gz IMHHTNXXHAGWCN-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1 ZINC000365469882 429324613 /nfs/dbraw/zinc/32/46/13/429324613.db2.gz IMHHTNXXHAGWCN-QGZVFWFLSA-N 2 1 306.450 2.628 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000449097132 429331730 /nfs/dbraw/zinc/33/17/30/429331730.db2.gz BRMMXTZHHUBZIV-QGZVFWFLSA-N 2 1 317.477 2.575 20 0 DFADMP Fc1cnccc1CNC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000449121336 429335932 /nfs/dbraw/zinc/33/59/32/429335932.db2.gz HJOCAJUKASBUEZ-QGZVFWFLSA-N 2 1 313.420 2.875 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000449126622 429337634 /nfs/dbraw/zinc/33/76/34/429337634.db2.gz USNQKMMLTINJDX-SOLBZPMBSA-N 2 1 323.525 2.734 20 0 DFADMP Brc1cccc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000365547537 429338452 /nfs/dbraw/zinc/33/84/52/429338452.db2.gz CSWQGBBTJDXZKW-CYBMUJFWSA-N 2 1 320.234 2.998 20 0 DFADMP CCC[C@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCC1 ZINC000449133955 429340336 /nfs/dbraw/zinc/34/03/36/429340336.db2.gz GBYKWEDKGIUKID-SJORKVTESA-N 2 1 309.498 2.522 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000505890101 429343958 /nfs/dbraw/zinc/34/39/58/429343958.db2.gz NKPPOEPIXHNZJA-KRWDZBQOSA-N 2 1 323.525 2.948 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000425432244 429295221 /nfs/dbraw/zinc/29/52/21/429295221.db2.gz KEEKVIXQNNPEGX-BBWFWOEESA-N 2 1 323.525 2.876 20 0 DFADMP C[C@H](C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1)c1ccccc1 ZINC000490632810 429297450 /nfs/dbraw/zinc/29/74/50/429297450.db2.gz UWMKUJYZYMFOGV-QWFCFKBJSA-N 2 1 315.505 2.748 20 0 DFADMP CC[C@@](C)(C(=O)OC)[N@H+](CCCn1cc[nH+]c1C)CC1CC1 ZINC000425514666 429313763 /nfs/dbraw/zinc/31/37/63/429313763.db2.gz QVXHPDRVPULTQG-KRWDZBQOSA-N 2 1 307.438 2.635 20 0 DFADMP CC[C@@](C)(C(=O)OC)[N@@H+](CCCn1cc[nH+]c1C)CC1CC1 ZINC000425514666 429313766 /nfs/dbraw/zinc/31/37/66/429313766.db2.gz QVXHPDRVPULTQG-KRWDZBQOSA-N 2 1 307.438 2.635 20 0 DFADMP c1c(C[NH2+][C@H]2CCOc3ccccc32)onc1C1CC[NH2+]CC1 ZINC000425898974 429350286 /nfs/dbraw/zinc/35/02/86/429350286.db2.gz KCLPVYVXEPVNQU-INIZCTEOSA-N 2 1 313.401 2.755 20 0 DFADMP CN1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1=O ZINC000449174935 429350983 /nfs/dbraw/zinc/35/09/83/429350983.db2.gz JADCYZRJWVLOBG-INIZCTEOSA-N 2 1 323.525 2.876 20 0 DFADMP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)CCC(F)(F)F ZINC000426052899 429363071 /nfs/dbraw/zinc/36/30/71/429363071.db2.gz ULUVABFTQQFMBC-MELADBBJSA-N 2 1 309.420 2.579 20 0 DFADMP C[C@H](Cc1ccoc1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000449235067 429363690 /nfs/dbraw/zinc/36/36/90/429363690.db2.gz SOMCFDMGEVCUMN-BEFAXECRSA-N 2 1 314.429 2.567 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000449242269 429365426 /nfs/dbraw/zinc/36/54/26/429365426.db2.gz DZTGQISNHVPFHD-NJAFHUGGSA-N 2 1 322.880 2.707 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H]2Cc2ccc(Cl)cc2)C1 ZINC000449242269 429365430 /nfs/dbraw/zinc/36/54/30/429365430.db2.gz DZTGQISNHVPFHD-NJAFHUGGSA-N 2 1 322.880 2.707 20 0 DFADMP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000426218310 429374625 /nfs/dbraw/zinc/37/46/25/429374625.db2.gz WRSPUWDKGQDEFJ-NJAFHUGGSA-N 2 1 317.477 2.524 20 0 DFADMP C[C@H](C[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1)C[NH+](C)C ZINC000491596466 429378511 /nfs/dbraw/zinc/37/85/11/429378511.db2.gz KOYZHKOIGDCENH-CQSZACIVSA-N 2 1 306.450 2.929 20 0 DFADMP COc1cc2c(cc1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1)O[C@H](C)C2 ZINC000518924318 429440091 /nfs/dbraw/zinc/44/00/91/429440091.db2.gz CIYNBORRGXRONJ-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449580958 429454659 /nfs/dbraw/zinc/45/46/59/429454659.db2.gz VXDQRPMMIOHUKZ-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC2(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000449580958 429454663 /nfs/dbraw/zinc/45/46/63/429454663.db2.gz VXDQRPMMIOHUKZ-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)c1nn(C)c(Cl)c1CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366491540 429463902 /nfs/dbraw/zinc/46/39/02/429463902.db2.gz RCHHSWOESJRMOZ-MRXNPFEDSA-N 2 1 310.873 2.725 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC000426786993 429415073 /nfs/dbraw/zinc/41/50/73/429415073.db2.gz ZWSCMBDMXAZXEM-IRXDYDNUSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@@H](SC)C2)CC1 ZINC000449444849 429420649 /nfs/dbraw/zinc/42/06/49/429420649.db2.gz DWFAKDZIXQVSMI-QGZVFWFLSA-N 2 1 319.518 2.766 20 0 DFADMP COc1cc2c(c(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c1)O[C@H](C)C2 ZINC000366535502 429470257 /nfs/dbraw/zinc/47/02/57/429470257.db2.gz ONNINJZBIDIDOD-AUUYWEPGSA-N 2 1 316.445 2.546 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC000427129366 429432833 /nfs/dbraw/zinc/43/28/33/429432833.db2.gz WPAXQNXWWFDWQA-FXAWDEMLSA-N 2 1 323.440 2.844 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)c2)nc1 ZINC000427129366 429432841 /nfs/dbraw/zinc/43/28/41/429432841.db2.gz WPAXQNXWWFDWQA-FXAWDEMLSA-N 2 1 323.440 2.844 20 0 DFADMP CC(=O)N1CCC[N@H+](C[C@H]2CCC[NH+](CCC(C)(C)C)C2)CC1 ZINC000449493893 429433551 /nfs/dbraw/zinc/43/35/51/429433551.db2.gz FRUHWYYZIACOJM-SFHVURJKSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[N@@H+](C[C@H]2CCC[NH+](CCC(C)(C)C)C2)CC1 ZINC000449493893 429433558 /nfs/dbraw/zinc/43/35/58/429433558.db2.gz FRUHWYYZIACOJM-SFHVURJKSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@H+](CCC(C)(C)C)C2)CC1 ZINC000449493893 429433564 /nfs/dbraw/zinc/43/35/64/429433564.db2.gz FRUHWYYZIACOJM-SFHVURJKSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@H]2CCC[N@@H+](CCC(C)(C)C)C2)CC1 ZINC000449493893 429433572 /nfs/dbraw/zinc/43/35/72/429433572.db2.gz FRUHWYYZIACOJM-SFHVURJKSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCCN(C[C@@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC000449496167 429435017 /nfs/dbraw/zinc/43/50/17/429435017.db2.gz IUPPTDUBGLAQQX-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@@H+](CCCC(C)C)C2)CC1 ZINC000449496167 429435019 /nfs/dbraw/zinc/43/50/19/429435019.db2.gz IUPPTDUBGLAQQX-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[NH+](C[C@@H]2CCC[N@H+](CCCC(C)C)C2)CC1 ZINC000449496167 429435022 /nfs/dbraw/zinc/43/50/22/429435022.db2.gz IUPPTDUBGLAQQX-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[N@@H+](C[C@@H]2CCC[NH+](CCCC(C)C)C2)CC1 ZINC000449496167 429435027 /nfs/dbraw/zinc/43/50/27/429435027.db2.gz IUPPTDUBGLAQQX-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CC(=O)N1CCC[N@H+](C[C@@H]2CCC[NH+](CCCC(C)C)C2)CC1 ZINC000449496167 429435030 /nfs/dbraw/zinc/43/50/30/429435030.db2.gz IUPPTDUBGLAQQX-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492130968 429472409 /nfs/dbraw/zinc/47/24/09/429472409.db2.gz IAMWKDDWTTXEPC-KKUMJFAQSA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492130968 429472413 /nfs/dbraw/zinc/47/24/13/429472413.db2.gz IAMWKDDWTTXEPC-KKUMJFAQSA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000492130968 429472417 /nfs/dbraw/zinc/47/24/17/429472417.db2.gz IAMWKDDWTTXEPC-KKUMJFAQSA-N 2 1 313.486 2.562 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@@H](C)C1 ZINC000449691935 429482079 /nfs/dbraw/zinc/48/20/79/429482079.db2.gz ZBAALBKOAQVZGX-YOEHRIQHSA-N 2 1 316.424 2.831 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2c(F)cccc2-n2cccn2)[C@@H](C)C1 ZINC000449691935 429482082 /nfs/dbraw/zinc/48/20/82/429482082.db2.gz ZBAALBKOAQVZGX-YOEHRIQHSA-N 2 1 316.424 2.831 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000520834468 429530236 /nfs/dbraw/zinc/53/02/36/429530236.db2.gz CRIVBDNIMZHFOX-CABCVRRESA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000520834468 429530239 /nfs/dbraw/zinc/53/02/39/429530239.db2.gz CRIVBDNIMZHFOX-CABCVRRESA-N 2 1 321.465 2.652 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000366604145 429486341 /nfs/dbraw/zinc/48/63/41/429486341.db2.gz RXEARFGBGSPKRM-ROUUACIJSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000366604145 429486345 /nfs/dbraw/zinc/48/63/45/429486345.db2.gz RXEARFGBGSPKRM-ROUUACIJSA-N 2 1 304.478 2.894 20 0 DFADMP Cc1cc(C)n(CC2CC[NH+](CCCn3cc[nH+]c3C)CC2)n1 ZINC000366669240 429490205 /nfs/dbraw/zinc/49/02/05/429490205.db2.gz FMJBSRFLBPVNBZ-UHFFFAOYSA-N 2 1 315.465 2.807 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000449735026 429491575 /nfs/dbraw/zinc/49/15/75/429491575.db2.gz FPXBIJQOPIUBCJ-PXTPFGJHSA-N 2 1 314.473 2.648 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1 ZINC000449754546 429499137 /nfs/dbraw/zinc/49/91/37/429499137.db2.gz RAHUNTLWPQLIRK-KRWDZBQOSA-N 2 1 317.477 2.789 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCN1CCc2ccccc21 ZINC000428211718 429501019 /nfs/dbraw/zinc/50/10/19/429501019.db2.gz XXWYHVYGDPEJOU-SFHVURJKSA-N 2 1 310.445 2.719 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCN1CCc2ccccc21 ZINC000428211718 429501024 /nfs/dbraw/zinc/50/10/24/429501024.db2.gz XXWYHVYGDPEJOU-SFHVURJKSA-N 2 1 310.445 2.719 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CCOc3ccccc32)CCCO1 ZINC000366777109 429512432 /nfs/dbraw/zinc/51/24/32/429512432.db2.gz ODBDXLPKGMKUFM-IRXDYDNUSA-N 2 1 318.461 2.643 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H]2CCOc3ccccc32)CCCO1 ZINC000366777110 429513227 /nfs/dbraw/zinc/51/32/27/429513227.db2.gz ODBDXLPKGMKUFM-SJORKVTESA-N 2 1 318.461 2.643 20 0 DFADMP CN(CC1CC[NH+](C)CC1)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000449842893 429522676 /nfs/dbraw/zinc/52/26/76/429522676.db2.gz FRBGSZUEFQVOJC-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000366977102 429550484 /nfs/dbraw/zinc/55/04/84/429550484.db2.gz LJZXIVGZBNXVGD-WMZOPIPTSA-N 2 1 315.461 2.870 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000366970810 429550616 /nfs/dbraw/zinc/55/06/16/429550616.db2.gz SVCMBFDDOPSXOD-IBGZPJMESA-N 2 1 323.440 2.665 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000366970810 429550618 /nfs/dbraw/zinc/55/06/18/429550618.db2.gz SVCMBFDDOPSXOD-IBGZPJMESA-N 2 1 323.440 2.665 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@H+](C)Cc3ccccc32)c1 ZINC000366970811 429551185 /nfs/dbraw/zinc/55/11/85/429551185.db2.gz SVCMBFDDOPSXOD-LJQANCHMSA-N 2 1 323.440 2.665 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2C[N@@H+](C)Cc3ccccc32)c1 ZINC000366970811 429551191 /nfs/dbraw/zinc/55/11/91/429551191.db2.gz SVCMBFDDOPSXOD-LJQANCHMSA-N 2 1 323.440 2.665 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCC3CCCC3)C2)CC1 ZINC000367118209 429580617 /nfs/dbraw/zinc/58/06/17/429580617.db2.gz YTFJPZCTNAWRPS-LJQANCHMSA-N 2 1 307.526 2.916 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2ccnn2C)CC1 ZINC000367119759 429581787 /nfs/dbraw/zinc/58/17/87/429581787.db2.gz CADSJZJWRDNKAR-KRWDZBQOSA-N 2 1 318.509 2.939 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000458160441 429588370 /nfs/dbraw/zinc/58/83/70/429588370.db2.gz GBELNRQOJJRCSN-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458160441 429588374 /nfs/dbraw/zinc/58/83/74/429588374.db2.gz GBELNRQOJJRCSN-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458160441 429588377 /nfs/dbraw/zinc/58/83/77/429588377.db2.gz GBELNRQOJJRCSN-AEFFLSMTSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H]([NH2+]C1CC1)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000521252594 429544942 /nfs/dbraw/zinc/54/49/42/429544942.db2.gz KSKOELNWBDMTDK-HOTGVXAUSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000366951167 429545630 /nfs/dbraw/zinc/54/56/30/429545630.db2.gz IYSVXOXYKCDHIR-AQNXPRMDSA-N 2 1 314.473 2.769 20 0 DFADMP Cc1ccccc1C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C1CC1 ZINC000366951167 429545635 /nfs/dbraw/zinc/54/56/35/429545635.db2.gz IYSVXOXYKCDHIR-AQNXPRMDSA-N 2 1 314.473 2.769 20 0 DFADMP CC(C)Cn1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cn1 ZINC000366953642 429547087 /nfs/dbraw/zinc/54/70/87/429547087.db2.gz OKIAAHKLPTZGOX-UHFFFAOYSA-N 2 1 304.482 2.847 20 0 DFADMP CCC(CC)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156170 429620509 /nfs/dbraw/zinc/62/05/09/429620509.db2.gz PFJCYRVCXXLDRZ-OAHLLOKOSA-N 2 1 311.514 2.732 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429628827 429622044 /nfs/dbraw/zinc/62/20/44/429622044.db2.gz TYLAPPKVGOLQGD-LSDHHAIUSA-N 2 1 311.857 2.576 20 0 DFADMP Cc1nccn1-c1ccc([C@H](C)[NH+]2C[C@H]3C[N@@H+](C)C[C@H]3C2)cc1 ZINC000367328094 429623128 /nfs/dbraw/zinc/62/31/28/429623128.db2.gz WGTYSANAZHOCTC-JCGIZDLHSA-N 2 1 310.445 2.735 20 0 DFADMP Cc1nccn1-c1ccc([C@H](C)[NH+]2C[C@H]3C[N@H+](C)C[C@H]3C2)cc1 ZINC000367328094 429623134 /nfs/dbraw/zinc/62/31/34/429623134.db2.gz WGTYSANAZHOCTC-JCGIZDLHSA-N 2 1 310.445 2.735 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)C=Cc2c[nH]cn2)[C@H]1c1ccccc1 ZINC000492835005 429626817 /nfs/dbraw/zinc/62/68/17/429626817.db2.gz VHSBZOCLWSEPNI-DKBRWSJVSA-N 2 1 324.428 2.622 20 0 DFADMP COC(=O)[C@@H]1C[N@@H+](CCCc2cnccc2C)CC12CCC2 ZINC000367370971 429631883 /nfs/dbraw/zinc/63/18/83/429631883.db2.gz NMYWEXXLGVJBSY-INIZCTEOSA-N 2 1 302.418 2.598 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463781 429633254 /nfs/dbraw/zinc/63/32/54/429633254.db2.gz SAZDGQOLVGESAR-LNLFQRSKSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463781 429633257 /nfs/dbraw/zinc/63/32/57/429633257.db2.gz SAZDGQOLVGESAR-LNLFQRSKSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H](C)c2ccccc2)C1 ZINC000450463781 429633260 /nfs/dbraw/zinc/63/32/60/429633260.db2.gz SAZDGQOLVGESAR-LNLFQRSKSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463779 429633932 /nfs/dbraw/zinc/63/39/32/429633932.db2.gz SAZDGQOLVGESAR-AOIWGVFYSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463779 429633937 /nfs/dbraw/zinc/63/39/37/429633937.db2.gz SAZDGQOLVGESAR-AOIWGVFYSA-N 2 1 304.478 2.815 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](O)[C@H](C)c2ccccc2)C1 ZINC000450463779 429633939 /nfs/dbraw/zinc/63/39/39/429633939.db2.gz SAZDGQOLVGESAR-AOIWGVFYSA-N 2 1 304.478 2.815 20 0 DFADMP C[N@@H+](CCc1cccc(NC(=O)C=Cc2c[nH]cn2)c1)C1CC1 ZINC000492870136 429634156 /nfs/dbraw/zinc/63/41/56/429634156.db2.gz VEZZVTKJGUAFSA-YVMONPNESA-N 2 1 310.401 2.698 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000367257324 429607614 /nfs/dbraw/zinc/60/76/14/429607614.db2.gz HDRNUNRWHXFXLO-INIZCTEOSA-N 2 1 310.482 2.774 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CCC[C@H](C[NH+]2CCCCC2)C1 ZINC000367257325 429607917 /nfs/dbraw/zinc/60/79/17/429607917.db2.gz HDRNUNRWHXFXLO-MRXNPFEDSA-N 2 1 310.482 2.774 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000450574098 429652238 /nfs/dbraw/zinc/65/22/38/429652238.db2.gz ZDEDGFLMXDWESP-TZMCWYRMSA-N 2 1 318.387 2.608 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3C[C@H]4OCC[N@@H+](C)[C@H]4C3)c2c1 ZINC000450387524 429614247 /nfs/dbraw/zinc/61/42/47/429614247.db2.gz JJEKZFPCSPXCTN-RBUKOAKNSA-N 2 1 311.429 2.707 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2n[nH]c(=O)s2)CC1 ZINC000367463577 429655598 /nfs/dbraw/zinc/65/55/98/429655598.db2.gz MOXMWXFRPKNHEC-ZDUSSCGKSA-N 2 1 324.494 2.720 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2n[nH]c(=O)s2)CC1 ZINC000367463577 429655603 /nfs/dbraw/zinc/65/56/03/429655603.db2.gz MOXMWXFRPKNHEC-ZDUSSCGKSA-N 2 1 324.494 2.720 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000430138807 429656416 /nfs/dbraw/zinc/65/64/16/429656416.db2.gz OHKVTHWHADCLRO-SZVBFZGTSA-N 2 1 301.478 2.985 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCN([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000430138807 429656418 /nfs/dbraw/zinc/65/64/18/429656418.db2.gz OHKVTHWHADCLRO-SZVBFZGTSA-N 2 1 301.478 2.985 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]CC[C@@H]2CCOC2=O)[C@H]1c1ccccc1 ZINC000367490285 429659261 /nfs/dbraw/zinc/65/92/61/429659261.db2.gz RVQJZVOMAKQXOG-KZNAEPCWSA-N 2 1 316.445 2.612 20 0 DFADMP Brc1cscc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000367523021 429663636 /nfs/dbraw/zinc/66/36/36/429663636.db2.gz LOOHRFGWVSIVTC-SNVBAGLBSA-N 2 1 312.236 2.812 20 0 DFADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1cccnc1 ZINC000185414229 276025255 /nfs/dbraw/zinc/02/52/55/276025255.db2.gz DTVWTWFRRAAVNC-QZTJIDSGSA-N 2 1 305.466 2.749 20 0 DFADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895307 276132399 /nfs/dbraw/zinc/13/23/99/276132399.db2.gz ZUVPCYTYIWSCPY-XLIONFOSSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895307 276132402 /nfs/dbraw/zinc/13/24/02/276132402.db2.gz ZUVPCYTYIWSCPY-XLIONFOSSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1CC1 ZINC000268895307 276132405 /nfs/dbraw/zinc/13/24/05/276132405.db2.gz ZUVPCYTYIWSCPY-XLIONFOSSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000245412214 276214097 /nfs/dbraw/zinc/21/40/97/276214097.db2.gz AEOXOELXRVYFLG-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000245412214 276214099 /nfs/dbraw/zinc/21/40/99/276214099.db2.gz AEOXOELXRVYFLG-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000245412214 276214100 /nfs/dbraw/zinc/21/41/00/276214100.db2.gz AEOXOELXRVYFLG-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000245412214 276214102 /nfs/dbraw/zinc/21/41/02/276214102.db2.gz AEOXOELXRVYFLG-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1)c1ccc(=O)[nH]n1 ZINC000367625882 429689120 /nfs/dbraw/zinc/68/91/20/429689120.db2.gz ZKTNNCCQGUBVCX-MKBNYLNASA-N 2 1 318.446 2.587 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(NC(C)=O)cc2)[C@@H](C)C1 ZINC000247101079 276228707 /nfs/dbraw/zinc/22/87/07/276228707.db2.gz SGTNZJZIYKLNJC-KSSFIOAISA-N 2 1 303.450 2.507 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(F)cc3c2OCOC3)[C@@H](C)C1 ZINC000247047366 276228997 /nfs/dbraw/zinc/22/89/97/276228997.db2.gz OOBVYWZZHLLPNP-GUYCJALGSA-N 2 1 322.424 2.555 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH2+][C@](C)(C[NH3+])C(C)C ZINC000430544798 429690021 /nfs/dbraw/zinc/69/00/21/429690021.db2.gz GTUXRZCVDBYJFB-MRXNPFEDSA-N 2 1 309.479 2.700 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000359392445 276251777 /nfs/dbraw/zinc/25/17/77/276251777.db2.gz OKJIBELMEXALSF-PWIZWCRZSA-N 2 1 315.505 2.827 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)C1 ZINC000359392445 276251779 /nfs/dbraw/zinc/25/17/79/276251779.db2.gz OKJIBELMEXALSF-PWIZWCRZSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)C1 ZINC000359392445 276251780 /nfs/dbraw/zinc/25/17/80/276251780.db2.gz OKJIBELMEXALSF-PWIZWCRZSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)C1 ZINC000359392445 276251781 /nfs/dbraw/zinc/25/17/81/276251781.db2.gz OKJIBELMEXALSF-PWIZWCRZSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000367624901 429687369 /nfs/dbraw/zinc/68/73/69/429687369.db2.gz YNACGEAKGRYPEG-GUDVDZBRSA-N 2 1 307.526 2.772 20 0 DFADMP CC[NH2+]CC1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1 ZINC000430538401 429687543 /nfs/dbraw/zinc/68/75/43/429687543.db2.gz BPJDDHGHLPSHQR-ZDUSSCGKSA-N 2 1 314.433 2.718 20 0 DFADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000357021076 276291586 /nfs/dbraw/zinc/29/15/86/276291586.db2.gz YFTXLPAJNSFOIQ-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP CCOC(=O)[C@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000357021076 276291587 /nfs/dbraw/zinc/29/15/87/276291587.db2.gz YFTXLPAJNSFOIQ-HOTGVXAUSA-N 2 1 310.482 2.915 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000271257394 276308192 /nfs/dbraw/zinc/30/81/92/276308192.db2.gz HNKQEPZMTJAWNK-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP CC[NH+](C)C[C@H]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271257394 276308193 /nfs/dbraw/zinc/30/81/93/276308193.db2.gz HNKQEPZMTJAWNK-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP CC[NH+](C)C[C@H]1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271257394 276308194 /nfs/dbraw/zinc/30/81/94/276308194.db2.gz HNKQEPZMTJAWNK-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP C[N@@H+](CCCCC(F)(F)F)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367684432 429699333 /nfs/dbraw/zinc/69/93/33/429699333.db2.gz NYBZZQAPWIMUFV-OAHLLOKOSA-N 2 1 321.431 2.819 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000368780677 276324263 /nfs/dbraw/zinc/32/42/63/276324263.db2.gz AWJOYUQXCIWYCS-CQSZACIVSA-N 2 1 324.494 2.526 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](C(=O)Nc2nccs2)C1 ZINC000368780677 276324264 /nfs/dbraw/zinc/32/42/64/276324264.db2.gz AWJOYUQXCIWYCS-CQSZACIVSA-N 2 1 324.494 2.526 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571652 429693772 /nfs/dbraw/zinc/69/37/72/429693772.db2.gz OOTBJVGHSHRBFY-LSDHHAIUSA-N 2 1 319.493 2.731 20 0 DFADMP CCc1ccc([C@H](C)NC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)C[NH3+])cc1 ZINC000430571652 429693776 /nfs/dbraw/zinc/69/37/76/429693776.db2.gz OOTBJVGHSHRBFY-LSDHHAIUSA-N 2 1 319.493 2.731 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000430573759 429695125 /nfs/dbraw/zinc/69/51/25/429695125.db2.gz HXKYFFLNRHURID-DOTOQJQBSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000430573759 429695128 /nfs/dbraw/zinc/69/51/28/429695128.db2.gz HXKYFFLNRHURID-DOTOQJQBSA-N 2 1 309.498 2.522 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC1 ZINC000360156339 276360496 /nfs/dbraw/zinc/36/04/96/276360496.db2.gz PWIUSYWMIGOVEN-HNNXBMFYSA-N 2 1 304.482 2.569 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000245920733 276361682 /nfs/dbraw/zinc/36/16/82/276361682.db2.gz TXJSLPRYNXDJIK-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000245920733 276361684 /nfs/dbraw/zinc/36/16/84/276361684.db2.gz TXJSLPRYNXDJIK-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000245920733 276361685 /nfs/dbraw/zinc/36/16/85/276361685.db2.gz TXJSLPRYNXDJIK-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CC[C@@H](O)C2)CC1 ZINC000367691975 429702002 /nfs/dbraw/zinc/70/20/02/429702002.db2.gz WWBDOTCPBITMJU-VLOYRQLPSA-N 2 1 302.462 2.933 20 0 DFADMP Cc1ccc2c(C)cc(NC[C@H](O)C[NH+]3CCCCC3)[nH+]c2c1 ZINC000460951126 429703923 /nfs/dbraw/zinc/70/39/23/429703923.db2.gz UVDIHRCFJANUJI-INIZCTEOSA-N 2 1 313.445 3.110 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000430658982 429708016 /nfs/dbraw/zinc/70/80/16/429708016.db2.gz YJIOVIHCUWQVJN-KRWDZBQOSA-N 2 1 311.429 2.831 20 0 DFADMP C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000430894316 429721751 /nfs/dbraw/zinc/72/17/51/429721751.db2.gz MKVWXEHDEHSVGE-DFGXFYAUSA-N 2 1 317.477 2.702 20 0 DFADMP CC(C)c1cc(N2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)nc(N(C)C)[nH+]1 ZINC000481984962 429723237 /nfs/dbraw/zinc/72/32/37/429723237.db2.gz OJHAAVVNVCQRPR-ZBFHGGJFSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CC[C@H]3[C@H](CCC[N@H+]3C)C2)nc(N(C)C)[nH+]1 ZINC000481984962 429723240 /nfs/dbraw/zinc/72/32/40/429723240.db2.gz OJHAAVVNVCQRPR-ZBFHGGJFSA-N 2 1 317.481 2.587 20 0 DFADMP COC[C@H](C)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000527108710 429725081 /nfs/dbraw/zinc/72/50/81/429725081.db2.gz YFLYNEQSTPSMIH-SJLPKXTDSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@H](C)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccn2)CC1 ZINC000527108710 429725087 /nfs/dbraw/zinc/72/50/87/429725087.db2.gz YFLYNEQSTPSMIH-SJLPKXTDSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@H](C)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccn2)CC1 ZINC000527108710 429725088 /nfs/dbraw/zinc/72/50/88/429725088.db2.gz YFLYNEQSTPSMIH-SJLPKXTDSA-N 2 1 305.466 2.650 20 0 DFADMP COC[C@H](C)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccn2)CC1 ZINC000527108710 429725093 /nfs/dbraw/zinc/72/50/93/429725093.db2.gz YFLYNEQSTPSMIH-SJLPKXTDSA-N 2 1 305.466 2.650 20 0 DFADMP C[C@@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1[NH3+] ZINC000430964946 429731394 /nfs/dbraw/zinc/73/13/94/429731394.db2.gz JUTKUYVGHXVAJG-PBHICJAKSA-N 2 1 311.429 2.838 20 0 DFADMP C[N@@H+](C[C@H]1Cc2ccccc21)C1CC[NH+](C2CCOCC2)CC1 ZINC000367869723 429732772 /nfs/dbraw/zinc/73/27/72/429732772.db2.gz YBJFUDUFPZLIEL-QGZVFWFLSA-N 2 1 314.473 2.902 20 0 DFADMP C[N@H+]1CC[C@@H]2OCCN(CC34CC5CC(CC(C5)C3)C4)[C@@H]2C1 ZINC000450956663 429737640 /nfs/dbraw/zinc/73/76/40/429737640.db2.gz SDKDNOOTOUUYLQ-WTFUZHRASA-N 2 1 304.478 2.608 20 0 DFADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@H](OCC)C1(C)C ZINC000431065827 429739129 /nfs/dbraw/zinc/73/91/29/429739129.db2.gz KUYMNTPZCODLIN-STQMWFEESA-N 2 1 324.469 2.679 20 0 DFADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@H]1C[C@H](OCC)C1(C)C ZINC000431065827 429739132 /nfs/dbraw/zinc/73/91/32/429739132.db2.gz KUYMNTPZCODLIN-STQMWFEESA-N 2 1 324.469 2.679 20 0 DFADMP CCC[N@H+](CC(=O)NCCCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431070476 429739358 /nfs/dbraw/zinc/73/93/58/429739358.db2.gz YIRRABNMLVFJOA-UHFFFAOYSA-N 2 1 323.525 2.927 20 0 DFADMP CCC[N@@H+](CC(=O)NCCCC1CCCCC1)C1CC[NH2+]CC1 ZINC000431070476 429739362 /nfs/dbraw/zinc/73/93/62/429739362.db2.gz YIRRABNMLVFJOA-UHFFFAOYSA-N 2 1 323.525 2.927 20 0 DFADMP CC(C)C[N@@H+](CCc1ccccc1)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431070679 429740170 /nfs/dbraw/zinc/74/01/70/429740170.db2.gz MBNJXUMSKPWXGC-UHFFFAOYSA-N 2 1 316.449 2.964 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000368135806 429796286 /nfs/dbraw/zinc/79/62/86/429796286.db2.gz RPTFQEDEMWZKTH-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000368135806 429796289 /nfs/dbraw/zinc/79/62/89/429796289.db2.gz RPTFQEDEMWZKTH-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1ccc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000368135806 429796293 /nfs/dbraw/zinc/79/62/93/429796293.db2.gz RPTFQEDEMWZKTH-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP CC1CCN(CC[N@@H+]2CC[C@@H](n3cnc4c3CCCC4)C2)CC1 ZINC000432072861 429799290 /nfs/dbraw/zinc/79/92/90/429799290.db2.gz UXYCAEXPMFBLRN-QGZVFWFLSA-N 2 1 316.493 2.741 20 0 DFADMP Cc1cnn(C)c1CN1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000367955262 429751594 /nfs/dbraw/zinc/75/15/94/429751594.db2.gz BBIWMINIIHEBMT-MOPGFXCFSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367955262 429751599 /nfs/dbraw/zinc/75/15/99/429751599.db2.gz BBIWMINIIHEBMT-MOPGFXCFSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000367955262 429751604 /nfs/dbraw/zinc/75/16/04/429751604.db2.gz BBIWMINIIHEBMT-MOPGFXCFSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367955262 429751609 /nfs/dbraw/zinc/75/16/09/429751609.db2.gz BBIWMINIIHEBMT-MOPGFXCFSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367955262 429751615 /nfs/dbraw/zinc/75/16/15/429751615.db2.gz BBIWMINIIHEBMT-MOPGFXCFSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cn[nH]c1CN1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367955196 429752667 /nfs/dbraw/zinc/75/26/67/429752667.db2.gz AEXSSCCQDNPHSP-ROUUACIJSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1cn[nH]c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000367955196 429752672 /nfs/dbraw/zinc/75/26/72/429752672.db2.gz AEXSSCCQDNPHSP-ROUUACIJSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367958557 429752764 /nfs/dbraw/zinc/75/27/64/429752764.db2.gz DPNPLVBLPOKZSY-PKOBYXMFSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000367958557 429752768 /nfs/dbraw/zinc/75/27/68/429752768.db2.gz DPNPLVBLPOKZSY-PKOBYXMFSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1n[nH]cc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000367958557 429752771 /nfs/dbraw/zinc/75/27/71/429752771.db2.gz DPNPLVBLPOKZSY-PKOBYXMFSA-N 2 1 310.445 2.672 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)ccn1 ZINC000527537863 429757399 /nfs/dbraw/zinc/75/73/99/429757399.db2.gz BUEKGFRQLQEHCH-IBGZPJMESA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cc(CN2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)ccn1 ZINC000527537863 429757404 /nfs/dbraw/zinc/75/74/04/429757404.db2.gz BUEKGFRQLQEHCH-IBGZPJMESA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cc(CN2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)ccn1 ZINC000527537863 429757410 /nfs/dbraw/zinc/75/74/10/429757410.db2.gz BUEKGFRQLQEHCH-IBGZPJMESA-N 2 1 310.445 2.739 20 0 DFADMP C[C@H]1C[C@@H]1[N@H+]1CCN(CC[NH+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057265 429758208 /nfs/dbraw/zinc/75/82/08/429758208.db2.gz CQVBNHWJIBYGDM-HBFSDRIKSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@H]1C[C@@H]1[NH+]1CCN(CC[N@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057265 429758214 /nfs/dbraw/zinc/75/82/14/429758214.db2.gz CQVBNHWJIBYGDM-HBFSDRIKSA-N 2 1 315.505 2.781 20 0 DFADMP C[C@H]1C[C@@H]1[NH+]1CCN(CC[N@@H+](C)Cc2ccccc2)C[C@@H](C)C1 ZINC000451057265 429758216 /nfs/dbraw/zinc/75/82/16/429758216.db2.gz CQVBNHWJIBYGDM-HBFSDRIKSA-N 2 1 315.505 2.781 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000487067489 429762936 /nfs/dbraw/zinc/76/29/36/429762936.db2.gz PFOYPCQKTUKDQI-SJLPKXTDSA-N 2 1 323.525 2.545 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@@H]3C2)cc(C)c1O ZINC000368015606 429766476 /nfs/dbraw/zinc/76/64/76/429766476.db2.gz JFDSJCKZGJCPPP-KURKYZTESA-N 2 1 300.446 2.925 20 0 DFADMP Cc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)cc(C)c1O ZINC000368015606 429766478 /nfs/dbraw/zinc/76/64/78/429766478.db2.gz JFDSJCKZGJCPPP-KURKYZTESA-N 2 1 300.446 2.925 20 0 DFADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)ccc1F ZINC000368051187 429775008 /nfs/dbraw/zinc/77/50/08/429775008.db2.gz KRDVQTMDHZOJLH-SFHVURJKSA-N 2 1 319.468 2.734 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000431745475 429780650 /nfs/dbraw/zinc/78/06/50/429780650.db2.gz QSQZPGYXOAJYJS-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1cnn(Cc2ccccc2)c1 ZINC000368105358 429788955 /nfs/dbraw/zinc/78/89/55/429788955.db2.gz QULWGBSTVNNBIH-WMLDXEAASA-N 2 1 321.428 2.863 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH]cnc3C1)CCCO2 ZINC000368104168 429789285 /nfs/dbraw/zinc/78/92/85/429789285.db2.gz BZZQLYMJVGNZPG-SWLSCSKDSA-N 2 1 313.401 2.779 20 0 DFADMP CCCCN(CCO)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000368247659 429816046 /nfs/dbraw/zinc/81/60/46/429816046.db2.gz XMWHTTDRNARXBM-UHFFFAOYSA-N 2 1 311.495 2.504 20 0 DFADMP CCCCN(CCO)Cc1nc2c(s1)CN(C(C)C)CC2 ZINC000368247659 429816048 /nfs/dbraw/zinc/81/60/48/429816048.db2.gz XMWHTTDRNARXBM-UHFFFAOYSA-N 2 1 311.495 2.504 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C12CCCC2 ZINC000432413451 429821939 /nfs/dbraw/zinc/82/19/39/429821939.db2.gz MRZJJSKJIXZKPZ-KZNAEPCWSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432419712 429822116 /nfs/dbraw/zinc/82/21/16/429822116.db2.gz FHTXHAZCGVHVDS-JYPHPWERSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC(O)C1 ZINC000432419712 429822117 /nfs/dbraw/zinc/82/21/17/429822117.db2.gz FHTXHAZCGVHVDS-JYPHPWERSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]C2CCC3(CCOCC3)CC2)CCCO1 ZINC000432414736 429822320 /nfs/dbraw/zinc/82/23/20/429822320.db2.gz ARBTWWWEUBQSPT-KRWDZBQOSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C2CCC3(CCOCC3)CC2)CCCO1 ZINC000432414736 429822322 /nfs/dbraw/zinc/82/23/22/429822322.db2.gz ARBTWWWEUBQSPT-KRWDZBQOSA-N 2 1 324.509 2.816 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C[C@H]1OC ZINC000432413435 429822554 /nfs/dbraw/zinc/82/25/54/429822554.db2.gz MMRFYBNUMIAWTH-GVDBMIGSSA-N 2 1 312.498 2.671 20 0 DFADMP CN(C)c1cc[nH+]cc1CNC[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000368281338 429824137 /nfs/dbraw/zinc/82/41/37/429824137.db2.gz BJARFKWBDHQZMR-PXNSSMCTSA-N 3 1 324.472 2.930 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@H](C)C1 ZINC000527998365 429834185 /nfs/dbraw/zinc/83/41/85/429834185.db2.gz MFGONXWPTUADEO-TVFCKZIOSA-N 2 1 312.498 2.669 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]C2CC(c3cccc(F)c3)C2)CC1 ZINC000368354194 429836834 /nfs/dbraw/zinc/83/68/34/429836834.db2.gz NNYLAVOZMYYTLW-UHFFFAOYSA-N 2 1 319.468 2.689 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCCC[C@@H]([NH2+]CC4COC4)[C@H]3C2)cc1 ZINC000528024949 429838566 /nfs/dbraw/zinc/83/85/66/429838566.db2.gz FHZXYLLGRRPMSX-SLFFLAALSA-N 2 1 314.473 2.913 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000432797649 429840664 /nfs/dbraw/zinc/84/06/64/429840664.db2.gz MIMQXAPHVAKLFC-MRXNPFEDSA-N 2 1 306.450 2.928 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)cc1OC ZINC000432797649 429840667 /nfs/dbraw/zinc/84/06/67/429840667.db2.gz MIMQXAPHVAKLFC-MRXNPFEDSA-N 2 1 306.450 2.928 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CC2(C)CCC2)CC1)Cc1ccccc1 ZINC000432833979 429845100 /nfs/dbraw/zinc/84/51/00/429845100.db2.gz ZRFDHOHMZQUOJN-UHFFFAOYSA-N 2 1 315.505 2.926 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)o1 ZINC000368437029 429849674 /nfs/dbraw/zinc/84/96/74/429849674.db2.gz CEOBRWANEDIRHJ-ZDUSSCGKSA-N 2 1 311.389 2.527 20 0 DFADMP CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000493953588 429851373 /nfs/dbraw/zinc/85/13/73/429851373.db2.gz VJXBRWRMHQFYFE-CVYDXHPNSA-N 2 1 317.477 2.654 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CC12CC2 ZINC000527846589 429808402 /nfs/dbraw/zinc/80/84/02/429808402.db2.gz MGXFKBLYLCXEBP-CRAIPNDOSA-N 2 1 300.446 2.797 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@H]1CC12CC2 ZINC000527848524 429810201 /nfs/dbraw/zinc/81/02/01/429810201.db2.gz KKOIUZJRQAVUEG-QFBILLFUSA-N 2 1 313.489 2.712 20 0 DFADMP C[C@@H]1CN(C(=O)OC(C)(C)C)[C@@H](C)CN1CCCn1ccnc1 ZINC000494502862 429877249 /nfs/dbraw/zinc/87/72/49/429877249.db2.gz HFTSOYXSXJAZIW-CABCVRRESA-N 2 1 322.453 2.603 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCc2nc3ccccc3[nH]2)[C@H]2CCC[C@@H]21 ZINC000368607122 429877866 /nfs/dbraw/zinc/87/78/66/429877866.db2.gz GVIRAFJLEKNDKG-VKJFTORMSA-N 2 1 312.461 2.958 20 0 DFADMP C[C@@H]1C[N@@H+](CCCn2ccnc2)[C@H](C)CN1C(=O)OC(C)(C)C ZINC000494502866 429878084 /nfs/dbraw/zinc/87/80/84/429878084.db2.gz HFTSOYXSXJAZIW-HUUCEWRRSA-N 2 1 322.453 2.603 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2cccnc2C(F)(F)F)CC1 ZINC000528351094 429878166 /nfs/dbraw/zinc/87/81/66/429878166.db2.gz BLCNATKINVKKRL-UHFFFAOYSA-N 2 1 301.356 2.874 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC12CC[NH+](C)CC2 ZINC000368967145 429905262 /nfs/dbraw/zinc/90/52/62/429905262.db2.gz VJTXKXQONQKUTK-UHFFFAOYSA-N 2 1 304.482 2.605 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000369055409 429909681 /nfs/dbraw/zinc/90/96/81/429909681.db2.gz OIBLGLINXDEHCJ-HOTGVXAUSA-N 2 1 320.481 2.756 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767731 429913773 /nfs/dbraw/zinc/91/37/73/429913773.db2.gz AKLSEQUNIPPJRC-MSOLQXFVSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767731 429913774 /nfs/dbraw/zinc/91/37/74/429913774.db2.gz AKLSEQUNIPPJRC-MSOLQXFVSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767731 429913776 /nfs/dbraw/zinc/91/37/76/429913776.db2.gz AKLSEQUNIPPJRC-MSOLQXFVSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767731 429913777 /nfs/dbraw/zinc/91/37/77/429913777.db2.gz AKLSEQUNIPPJRC-MSOLQXFVSA-N 2 1 320.452 2.849 20 0 DFADMP CCn1nc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000369280440 429922183 /nfs/dbraw/zinc/92/21/83/429922183.db2.gz QOQZKTYTCVMMHT-OAHLLOKOSA-N 2 1 323.444 2.947 20 0 DFADMP CCn1nc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c2ccccc21 ZINC000369280440 429922184 /nfs/dbraw/zinc/92/21/84/429922184.db2.gz QOQZKTYTCVMMHT-OAHLLOKOSA-N 2 1 323.444 2.947 20 0 DFADMP Clc1nc2ccccn2c1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000369347071 429924893 /nfs/dbraw/zinc/92/48/93/429924893.db2.gz VUPXAJYREYOVDI-GFCCVEGCSA-N 2 1 315.808 2.536 20 0 DFADMP CN(CC[N@H+]1CC[C@@H]2C[C@H](O)CC[C@H]2C1)Cc1ccccc1 ZINC000451704707 429875713 /nfs/dbraw/zinc/87/57/13/429875713.db2.gz XLSOJWAPKRDLRU-CEXWTWQISA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](CCN1CC[C@@H]2C[C@H](O)CC[C@H]2C1)Cc1ccccc1 ZINC000451704707 429875716 /nfs/dbraw/zinc/87/57/16/429875716.db2.gz XLSOJWAPKRDLRU-CEXWTWQISA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](CCN1CC[C@@H]2C[C@H](O)CC[C@H]2C1)Cc1ccccc1 ZINC000451704707 429875719 /nfs/dbraw/zinc/87/57/19/429875719.db2.gz XLSOJWAPKRDLRU-CEXWTWQISA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](CCN1CC[NH+](C)[C@@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000639744911 429965688 /nfs/dbraw/zinc/96/56/88/429965688.db2.gz APIQXNOYWJHEIU-GOSISDBHSA-N 2 1 303.494 2.781 20 0 DFADMP C[NH+](CCN1CC[N@H+](C)[C@@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000639744911 429965690 /nfs/dbraw/zinc/96/56/90/429965690.db2.gz APIQXNOYWJHEIU-GOSISDBHSA-N 2 1 303.494 2.781 20 0 DFADMP C[NH+](CCN1CC[N@@H+](C)[C@@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000639744911 429965696 /nfs/dbraw/zinc/96/56/96/429965696.db2.gz APIQXNOYWJHEIU-GOSISDBHSA-N 2 1 303.494 2.781 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639761598 429972077 /nfs/dbraw/zinc/97/20/77/429972077.db2.gz GQJHAXUIIPATFJ-IRXDYDNUSA-N 2 1 321.509 2.584 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)c(C)c1OC ZINC000558423523 429972309 /nfs/dbraw/zinc/97/23/09/429972309.db2.gz MGPGFIXQKYLENM-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)c(C)c1OC ZINC000558423523 429972311 /nfs/dbraw/zinc/97/23/11/429972311.db2.gz MGPGFIXQKYLENM-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)c(C)c1OC ZINC000558423523 429972316 /nfs/dbraw/zinc/97/23/16/429972316.db2.gz MGPGFIXQKYLENM-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP CC(C)CCc1noc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639758979 429972759 /nfs/dbraw/zinc/97/27/59/429972759.db2.gz ZBHOVIWTKCXLFU-UHFFFAOYSA-N 2 1 306.454 2.576 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCC3(C2)CC[NH+](C)CC3)n1 ZINC000639758979 429972762 /nfs/dbraw/zinc/97/27/62/429972762.db2.gz ZBHOVIWTKCXLFU-UHFFFAOYSA-N 2 1 306.454 2.576 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791225 429982832 /nfs/dbraw/zinc/98/28/32/429982832.db2.gz JHNZZGIGHOTIHW-SJORKVTESA-N 2 1 310.445 2.903 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791225 429982835 /nfs/dbraw/zinc/98/28/35/429982835.db2.gz JHNZZGIGHOTIHW-SJORKVTESA-N 2 1 310.445 2.903 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791225 429982839 /nfs/dbraw/zinc/98/28/39/429982839.db2.gz JHNZZGIGHOTIHW-SJORKVTESA-N 2 1 310.445 2.903 20 0 DFADMP Cc1nsc(C)c1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683521 429945930 /nfs/dbraw/zinc/94/59/30/429945930.db2.gz JAEKZOYVPDPJOB-UHFFFAOYSA-N 2 1 302.447 2.867 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000639683426 429946581 /nfs/dbraw/zinc/94/65/81/429946581.db2.gz YUCHHXUFEZXKPL-UHFFFAOYSA-N 2 1 310.445 2.860 20 0 DFADMP CCOc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)n1 ZINC000639704279 429952304 /nfs/dbraw/zinc/95/23/04/429952304.db2.gz PSTDDTANQZVHGY-UHFFFAOYSA-N 2 1 312.417 2.588 20 0 DFADMP Brc1c[nH+]ccc1N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000163948254 276772198 /nfs/dbraw/zinc/77/21/98/276772198.db2.gz XJTVFHVFDBMSJJ-CYBMUJFWSA-N 2 1 310.239 2.813 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000560343206 430034688 /nfs/dbraw/zinc/03/46/88/430034688.db2.gz VCWUKFQTVYRCGW-FCEWJHQRSA-N 2 1 322.468 2.687 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1ccc(C(F)(F)F)cc1 ZINC000574410898 430040599 /nfs/dbraw/zinc/04/05/99/430040599.db2.gz XQPNYLBGGUWMAH-WCQYABFASA-N 2 1 302.340 2.896 20 0 DFADMP CSC[C@@H](O)C[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000574444304 430042418 /nfs/dbraw/zinc/04/24/18/430042418.db2.gz XDWJKTMMIKGKOW-QAPCUYQASA-N 2 1 322.518 2.875 20 0 DFADMP Cc1cc(NC(=O)N[C@H](c2nccn2C)C2CC2)cn2cc[nH+]c12 ZINC000560443199 430043740 /nfs/dbraw/zinc/04/37/40/430043740.db2.gz AUABDXFULPKFOV-AWEZNQCLSA-N 2 1 324.388 2.649 20 0 DFADMP Cn1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000574453586 430044408 /nfs/dbraw/zinc/04/44/08/430044408.db2.gz TZAAJPXYELCMND-MJGOQNOKSA-N 2 1 312.461 2.592 20 0 DFADMP Cn1ccc(C[N@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)n1 ZINC000574453586 430044410 /nfs/dbraw/zinc/04/44/10/430044410.db2.gz TZAAJPXYELCMND-MJGOQNOKSA-N 2 1 312.461 2.592 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H](O)CCOC(C)C)CC1 ZINC000639987154 430045596 /nfs/dbraw/zinc/04/55/96/430045596.db2.gz XZHBFDVYVBLJBY-KRWDZBQOSA-N 2 1 312.498 2.503 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000631748569 429988717 /nfs/dbraw/zinc/98/87/17/429988717.db2.gz HQZPWVVVWRXXTJ-IBGZPJMESA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000631748569 429988723 /nfs/dbraw/zinc/98/87/23/429988723.db2.gz HQZPWVVVWRXXTJ-IBGZPJMESA-N 2 1 313.489 2.786 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]CCCC[N@H+](C)C1CC1 ZINC000573913467 429993110 /nfs/dbraw/zinc/99/31/10/429993110.db2.gz GWPNBHDYLQWDJW-UHFFFAOYSA-N 2 1 321.440 2.927 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])cc1)C(C)C ZINC000573924461 429996040 /nfs/dbraw/zinc/99/60/40/429996040.db2.gz ULVAIMIOHYOTQY-CABCVRRESA-N 2 1 305.466 2.773 20 0 DFADMP Cc1nn(C)c2ncc(C[NH2+]CC[C@@H](C)[NH+]3CCCCC3)cc12 ZINC000573936245 429996104 /nfs/dbraw/zinc/99/61/04/429996104.db2.gz XLQZSNWORLFFCI-CQSZACIVSA-N 2 1 315.465 2.631 20 0 DFADMP O[C@@]1(C[N@@H+]2CCC[C@@H](CCF)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639824903 429996241 /nfs/dbraw/zinc/99/62/41/429996241.db2.gz OFNFMQWXRCYKIT-RBUKOAKNSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@@]1(C[N@H+]2CCC[C@@H](CCF)C2)CC[NH+](Cc2ccccc2)C1 ZINC000639824903 429996245 /nfs/dbraw/zinc/99/62/45/429996245.db2.gz OFNFMQWXRCYKIT-RBUKOAKNSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@@]1(C[NH+]2CCC[C@@H](CCF)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000639824903 429996249 /nfs/dbraw/zinc/99/62/49/429996249.db2.gz OFNFMQWXRCYKIT-RBUKOAKNSA-N 2 1 320.452 2.695 20 0 DFADMP O[C@@]1(C[NH+]2CCC[C@@H](CCF)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639824903 429996251 /nfs/dbraw/zinc/99/62/51/429996251.db2.gz OFNFMQWXRCYKIT-RBUKOAKNSA-N 2 1 320.452 2.695 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2C=CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000559146038 429999868 /nfs/dbraw/zinc/99/98/68/429999868.db2.gz VCGXUGCDWNWZTR-CEXWTWQISA-N 2 1 305.510 2.833 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)C1CC(F)(F)C1 ZINC000529540058 430023052 /nfs/dbraw/zinc/02/30/52/430023052.db2.gz DSXVASAKTWVHIO-CXAGYDPISA-N 2 1 324.415 2.777 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)CNCc1cccc(F)c1F ZINC000634727938 430091897 /nfs/dbraw/zinc/09/18/97/430091897.db2.gz JWMXWWQLPLDOOC-MRXNPFEDSA-N 2 1 320.383 2.547 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1)O[C@@H](C)C2 ZINC000634732306 430093991 /nfs/dbraw/zinc/09/39/91/430093991.db2.gz CMGXDLIAEBBJRH-BBRMVZONSA-N 2 1 318.461 2.886 20 0 DFADMP O=C1[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)CCN1C1CCCCC1 ZINC000530127207 430099022 /nfs/dbraw/zinc/09/90/22/430099022.db2.gz XSJFLMLORLOJDS-GOSISDBHSA-N 2 1 319.493 2.527 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634761749 430106450 /nfs/dbraw/zinc/10/64/50/430106450.db2.gz IINVFEMWCUUOOI-IAGOWNOFSA-N 2 1 317.477 2.574 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1CC[NH2+]CC(C)(C)C1)c1ccccc1 ZINC000634761750 430106516 /nfs/dbraw/zinc/10/65/16/430106516.db2.gz IINVFEMWCUUOOI-IRXDYDNUSA-N 2 1 317.477 2.574 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+]2CCc3nc(C(C)(C)C)ncc3C2)CC[NH2+]1 ZINC000530241211 430107418 /nfs/dbraw/zinc/10/74/18/430107418.db2.gz DNELDEQWIWTQEN-KBPBESRZSA-N 2 1 302.466 2.520 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000560524807 430053167 /nfs/dbraw/zinc/05/31/67/430053167.db2.gz QJLPEHGQNKPINC-WCIQWLHISA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000560524807 430053171 /nfs/dbraw/zinc/05/31/71/430053171.db2.gz QJLPEHGQNKPINC-WCIQWLHISA-N 2 1 316.489 2.894 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](C[C@H](O)CCc2ccccc2)CC1 ZINC000640018205 430056528 /nfs/dbraw/zinc/05/65/28/430056528.db2.gz WMTOQTYWMFYTLN-GOSISDBHSA-N 2 1 304.478 2.786 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598035 430057069 /nfs/dbraw/zinc/05/70/69/430057069.db2.gz QCTNXSTYURCRFY-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@]1(CC[NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634649039 430064704 /nfs/dbraw/zinc/06/47/04/430064704.db2.gz FDTISNCXNMVSPX-SJORKVTESA-N 2 1 324.415 2.648 20 0 DFADMP C[C@@]1(CC[NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)CC1(F)F ZINC000634649039 430064707 /nfs/dbraw/zinc/06/47/07/430064707.db2.gz FDTISNCXNMVSPX-SJORKVTESA-N 2 1 324.415 2.648 20 0 DFADMP CC1(C)C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000634678497 430073316 /nfs/dbraw/zinc/07/33/16/430073316.db2.gz VVZSAMYDRQUBGS-GOSISDBHSA-N 2 1 302.462 2.982 20 0 DFADMP CC1(C)C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000634678497 430073319 /nfs/dbraw/zinc/07/33/19/430073319.db2.gz VVZSAMYDRQUBGS-GOSISDBHSA-N 2 1 302.462 2.982 20 0 DFADMP Cn1ccnc1[C@@H]([NH2+]C1CCC(C[NH3+])CC1)c1ccccc1F ZINC000581125285 430179227 /nfs/dbraw/zinc/17/92/27/430179227.db2.gz HUNFFLXZKHGSBR-KVULBXGLSA-N 2 1 316.424 2.756 20 0 DFADMP C[NH+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCC[N@H+](C)C1 ZINC000637930972 430176574 /nfs/dbraw/zinc/17/65/74/430176574.db2.gz WTFSCPOLFIPSFR-QZTJIDSGSA-N 2 1 301.478 2.787 20 0 DFADMP C[NH+](C[C@H]1CCN(c2ccccc2)C1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637930972 430176578 /nfs/dbraw/zinc/17/65/78/430176578.db2.gz WTFSCPOLFIPSFR-QZTJIDSGSA-N 2 1 301.478 2.787 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(CCc2ccccc2)CC1 ZINC000562442123 430132248 /nfs/dbraw/zinc/13/22/48/430132248.db2.gz JVRPEIOAJMGMSN-LJQANCHMSA-N 2 1 304.478 2.644 20 0 DFADMP Fc1ccc2oc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)nc2c1 ZINC000634979273 430182343 /nfs/dbraw/zinc/18/23/43/430182343.db2.gz ZVBNFBJHXVTXIJ-NSHDSACASA-N 2 1 300.337 2.516 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H](C)N3CC(C)C3)c2C1 ZINC000563378351 430183056 /nfs/dbraw/zinc/18/30/56/430183056.db2.gz ZBPLKOJODLAHOT-CQSZACIVSA-N 2 1 301.434 2.691 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H](C)N3CC(C)C3)c2C1 ZINC000563378351 430183058 /nfs/dbraw/zinc/18/30/58/430183058.db2.gz ZBPLKOJODLAHOT-CQSZACIVSA-N 2 1 301.434 2.691 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[N@@H+]2CCC[NH+]2CCCC2)o1 ZINC000364055530 277037989 /nfs/dbraw/zinc/03/79/89/277037989.db2.gz KPPAPDQCKMYGLO-KRWDZBQOSA-N 2 1 319.449 2.539 20 0 DFADMP CC(=O)NCc1ccc([C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)o1 ZINC000364055530 277037990 /nfs/dbraw/zinc/03/79/90/277037990.db2.gz KPPAPDQCKMYGLO-KRWDZBQOSA-N 2 1 319.449 2.539 20 0 DFADMP C[C@@H](Cc1ccccc1Br)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000634995866 430186521 /nfs/dbraw/zinc/18/65/21/430186521.db2.gz RFJVIFIGZRTOGP-BZUNDVKYSA-N 2 1 309.251 2.722 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cccc(-c3ccc(N)cc3)n2)C[C@@H]1C[NH3+] ZINC000634996283 430187036 /nfs/dbraw/zinc/18/70/36/430187036.db2.gz FONCQSQBZPZKMH-ZBFHGGJFSA-N 2 1 310.445 2.748 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000371403953 277074735 /nfs/dbraw/zinc/07/47/35/277074735.db2.gz YPWJFPAPUFYJMD-NZSAHSFTSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000371403953 277074736 /nfs/dbraw/zinc/07/47/36/277074736.db2.gz YPWJFPAPUFYJMD-NZSAHSFTSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000371403953 277074737 /nfs/dbraw/zinc/07/47/37/277074737.db2.gz YPWJFPAPUFYJMD-NZSAHSFTSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000371403953 277074738 /nfs/dbraw/zinc/07/47/38/277074738.db2.gz YPWJFPAPUFYJMD-NZSAHSFTSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000368079522 277083810 /nfs/dbraw/zinc/08/38/10/277083810.db2.gz RMZSYAMEKZGAQT-DOPJRALCSA-N 2 1 301.434 2.922 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005179 430194417 /nfs/dbraw/zinc/19/44/17/430194417.db2.gz SANNPNCOGWCJQY-SVUBNXHSSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1C[NH2+]C1CCC([NH3+])CC1 ZINC000635005179 430194421 /nfs/dbraw/zinc/19/44/21/430194421.db2.gz SANNPNCOGWCJQY-SVUBNXHSSA-N 2 1 301.478 2.614 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995403 430187756 /nfs/dbraw/zinc/18/77/56/430187756.db2.gz CWSUTMZROPOBIY-GOSISDBHSA-N 2 1 310.445 2.809 20 0 DFADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](n3cc(C[NH3+])nn3)C2)s1 ZINC000635000315 430188750 /nfs/dbraw/zinc/18/87/50/430188750.db2.gz LTLKXZVYHKGRLI-CYBMUJFWSA-N 2 1 319.478 2.543 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000476 430188844 /nfs/dbraw/zinc/18/88/44/430188844.db2.gz PCVRGQLNWCQQLB-DGCLKSJQSA-N 2 1 312.841 2.774 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)cc1OC ZINC000635000476 430188848 /nfs/dbraw/zinc/18/88/48/430188848.db2.gz PCVRGQLNWCQQLB-DGCLKSJQSA-N 2 1 312.841 2.774 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000634999030 430189142 /nfs/dbraw/zinc/18/91/42/430189142.db2.gz PAXOFKHMTDBIAE-DZKIICNBSA-N 2 1 306.450 2.899 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998866 430189245 /nfs/dbraw/zinc/18/92/45/430189245.db2.gz LZEDMZNDDZDQQX-WPRPVWTQSA-N 2 1 303.269 2.846 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@H](C)[C@@H](C[NH3+])C2)s1 ZINC000634998866 430189247 /nfs/dbraw/zinc/18/92/47/430189247.db2.gz LZEDMZNDDZDQQX-WPRPVWTQSA-N 2 1 303.269 2.846 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@H]1C[NH3+] ZINC000634998843 430189904 /nfs/dbraw/zinc/18/99/04/430189904.db2.gz LSGJKIYXWXVAHC-DZGCQCFKSA-N 2 1 324.428 2.860 20 0 DFADMP CCCOc1c(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cccc1OCC ZINC000635000445 430190257 /nfs/dbraw/zinc/19/02/57/430190257.db2.gz OKGWZOISWOPYQJ-HOCLYGCPSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@H]1C[C@H](C)CN(C(=O)C[N@@H+](C)CCCC[NH+]2CCCCC2)C1 ZINC000640530750 430191202 /nfs/dbraw/zinc/19/12/02/430191202.db2.gz CDQBETIOMJUFDP-ROUUACIJSA-N 2 1 323.525 2.689 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](Cc3ccc(=O)[nH]c3)C2)CC1 ZINC000637978862 430192344 /nfs/dbraw/zinc/19/23/44/430192344.db2.gz QBDBFFHFEVFPHC-KRWDZBQOSA-N 2 1 303.450 2.731 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](Cc3ccc(=O)[nH]c3)C2)CC1 ZINC000637978862 430192349 /nfs/dbraw/zinc/19/23/49/430192349.db2.gz QBDBFFHFEVFPHC-KRWDZBQOSA-N 2 1 303.450 2.731 20 0 DFADMP Cc1cc(NC(=O)[C@H](C)[N@H+](C)CCCC[NH+]2CCCCC2)on1 ZINC000640532403 430192432 /nfs/dbraw/zinc/19/24/32/430192432.db2.gz ZQHVIMFPJVQPOI-HNNXBMFYSA-N 2 1 322.453 2.508 20 0 DFADMP Cc1cc(NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]2CCCCC2)on1 ZINC000640532403 430192437 /nfs/dbraw/zinc/19/24/37/430192437.db2.gz ZQHVIMFPJVQPOI-HNNXBMFYSA-N 2 1 322.453 2.508 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCc1ccccc1 ZINC000640530677 430192824 /nfs/dbraw/zinc/19/28/24/430192824.db2.gz GKKOCYPPVUXUSB-UHFFFAOYSA-N 2 1 317.477 2.501 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)Cc1ccc(F)cc1 ZINC000640534891 430193225 /nfs/dbraw/zinc/19/32/25/430193225.db2.gz XECTWTSFBVDUBB-IBGZPJMESA-N 2 1 322.468 2.927 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000367601820 277172098 /nfs/dbraw/zinc/17/20/98/277172098.db2.gz PRPQCXNFNJCABU-NXOAAHMSSA-N 2 1 308.853 2.836 20 0 DFADMP C[C@H](Cc1ccsc1)[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000542159395 430201413 /nfs/dbraw/zinc/20/14/13/430201413.db2.gz CXVBIWRMLZFCRR-AEFFLSMTSA-N 2 1 321.534 2.781 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](CO)c1ccc(Cl)cc1)[C@H]1CCCC[NH2+]1 ZINC000635014385 430198146 /nfs/dbraw/zinc/19/81/46/430198146.db2.gz RLGDMYGKGBRXBL-BHYGNILZSA-N 2 1 310.869 2.926 20 0 DFADMP CC[N@H+]1CC[C@H]2CC[C@@H](C1)N2c1nc(C)nc2c1CCCC2 ZINC000542018834 430200160 /nfs/dbraw/zinc/20/01/60/430200160.db2.gz ASOLDOPEBYIREZ-CABCVRRESA-N 2 1 300.450 2.727 20 0 DFADMP Oc1cccnc1CN1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000581396687 430203539 /nfs/dbraw/zinc/20/35/39/430203539.db2.gz POWXRUSWMWZSJS-FQEVSTJZSA-N 2 1 323.440 2.885 20 0 DFADMP C[NH+](C)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)(C)C)C2)cc1 ZINC000640622915 430218165 /nfs/dbraw/zinc/21/81/65/430218165.db2.gz DUJFLUICHNMHIB-QGZVFWFLSA-N 2 1 317.477 2.551 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000296727933 277333100 /nfs/dbraw/zinc/33/31/00/277333100.db2.gz IGEQMCRGTOPPCK-QRVBRYPASA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000296727933 277333101 /nfs/dbraw/zinc/33/31/01/277333101.db2.gz IGEQMCRGTOPPCK-QRVBRYPASA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000296727933 277333102 /nfs/dbraw/zinc/33/31/02/277333102.db2.gz IGEQMCRGTOPPCK-QRVBRYPASA-N 2 1 302.462 2.660 20 0 DFADMP c1ccc([C@@H](NC[C@H]2CC[N@H+](C3CC3)C2)c2cncnc2)cc1 ZINC000542670132 430220200 /nfs/dbraw/zinc/22/02/00/430220200.db2.gz BTFIJSSXVZGPDM-DNVCBOLYSA-N 2 1 308.429 2.640 20 0 DFADMP Cc1scc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1C ZINC000638053729 430222468 /nfs/dbraw/zinc/22/24/68/430222468.db2.gz BBCUZSLIQPZUFM-KRWDZBQOSA-N 2 1 307.507 2.577 20 0 DFADMP Cc1scc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1C ZINC000638053729 430222472 /nfs/dbraw/zinc/22/24/72/430222472.db2.gz BBCUZSLIQPZUFM-KRWDZBQOSA-N 2 1 307.507 2.577 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000638063343 430223568 /nfs/dbraw/zinc/22/35/68/430223568.db2.gz LUAPXMHNSYVCSX-HZPDHXFCSA-N 2 1 317.477 2.533 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])CCC(C)C)CC1 ZINC000638066398 430224730 /nfs/dbraw/zinc/22/47/30/430224730.db2.gz ICGGBDHWBVKRED-KRWDZBQOSA-N 2 1 311.514 2.720 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248818323 277397358 /nfs/dbraw/zinc/39/73/58/277397358.db2.gz VKJGFHHWQLKSBM-ZJPYXAASSA-N 2 1 306.494 2.902 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccnn1CC1CCC1 ZINC000638118872 430241881 /nfs/dbraw/zinc/24/18/81/430241881.db2.gz YZLOEQMSHGJGIL-KRWDZBQOSA-N 2 1 304.482 2.989 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000566408014 430258057 /nfs/dbraw/zinc/25/80/57/430258057.db2.gz XJVQUFKAJYJGJE-HOCLYGCPSA-N 2 1 302.466 2.516 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C2CCCC2)C1 ZINC000566408014 430258061 /nfs/dbraw/zinc/25/80/61/430258061.db2.gz XJVQUFKAJYJGJE-HOCLYGCPSA-N 2 1 302.466 2.516 20 0 DFADMP Nc1c(F)cccc1C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638180930 430265240 /nfs/dbraw/zinc/26/52/40/430265240.db2.gz LIUCMKMDFLLTTI-CXAGYDPISA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000638180930 430265242 /nfs/dbraw/zinc/26/52/42/430265242.db2.gz LIUCMKMDFLLTTI-CXAGYDPISA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000638180930 430265245 /nfs/dbraw/zinc/26/52/45/430265245.db2.gz LIUCMKMDFLLTTI-CXAGYDPISA-N 2 1 303.425 2.857 20 0 DFADMP Nc1c(F)cccc1C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000638180930 430265250 /nfs/dbraw/zinc/26/52/50/430265250.db2.gz LIUCMKMDFLLTTI-CXAGYDPISA-N 2 1 303.425 2.857 20 0 DFADMP CC(C)CC[C@@H]([NH3+])C(=O)N1CC[NH2+]C[C@H]1c1ccccc1Cl ZINC000638217165 430275587 /nfs/dbraw/zinc/27/55/87/430275587.db2.gz MZRNGKCYWZQIKY-CVEARBPZSA-N 2 1 323.868 2.576 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N1CC[NH2+]C[C@@H]1c1ccccc1Cl ZINC000638217168 430275934 /nfs/dbraw/zinc/27/59/34/430275934.db2.gz MZRNGKCYWZQIKY-JKSUJKDBSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638251446 430285475 /nfs/dbraw/zinc/28/54/75/430285475.db2.gz HVUNJXUWBRLWSD-XJKSGUPXSA-N 2 1 323.868 2.548 20 0 DFADMP C[C@@H](CCC[NH3+])NC(=O)[C@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638251446 430285477 /nfs/dbraw/zinc/28/54/77/430285477.db2.gz HVUNJXUWBRLWSD-XJKSGUPXSA-N 2 1 323.868 2.548 20 0 DFADMP COc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(C)c1OC ZINC000582932422 430349275 /nfs/dbraw/zinc/34/92/75/430349275.db2.gz DUNAFNGAPMEOBQ-BBRMVZONSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)c(C)c1OC ZINC000582932422 430349278 /nfs/dbraw/zinc/34/92/78/430349278.db2.gz DUNAFNGAPMEOBQ-BBRMVZONSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)c(C)c1OC ZINC000582932422 430349282 /nfs/dbraw/zinc/34/92/82/430349282.db2.gz DUNAFNGAPMEOBQ-BBRMVZONSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)c(C)c1OC ZINC000582932422 430349286 /nfs/dbraw/zinc/34/92/86/430349286.db2.gz DUNAFNGAPMEOBQ-BBRMVZONSA-N 2 1 306.450 2.784 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@@H]1CC1(F)F ZINC000638304961 430298559 /nfs/dbraw/zinc/29/85/59/430298559.db2.gz NODGWRBGXAQIMN-CJNGLKHVSA-N 2 1 310.388 2.652 20 0 DFADMP CC(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1CC[NH+](C)CC1 ZINC000635558758 430306848 /nfs/dbraw/zinc/30/68/48/430306848.db2.gz NLZQRTJQTIANCE-UHFFFAOYSA-N 2 1 311.514 2.543 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1nc2ccccc2nc1C ZINC000638335787 430308407 /nfs/dbraw/zinc/30/84/07/430308407.db2.gz SUCOIPJAZJOLLC-CYBMUJFWSA-N 2 1 309.417 2.869 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000568176968 430324787 /nfs/dbraw/zinc/32/47/87/430324787.db2.gz JTPOYIHPIKVIMV-KURKYZTESA-N 2 1 305.466 2.758 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1[C@H]1CCCC[C@]1(C)O ZINC000568176968 430324791 /nfs/dbraw/zinc/32/47/91/430324791.db2.gz JTPOYIHPIKVIMV-KURKYZTESA-N 2 1 305.466 2.758 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2snnc2C)c1 ZINC000638381517 430325818 /nfs/dbraw/zinc/32/58/18/430325818.db2.gz LHBCAKIUODBWRL-UHFFFAOYSA-N 2 1 304.463 2.978 20 0 DFADMP COC[C@H](C)C[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582757241 430329667 /nfs/dbraw/zinc/32/96/67/430329667.db2.gz DCSCCYOEZHHVPY-QRQLOZEOSA-N 2 1 302.462 2.723 20 0 DFADMP COC[C@H](C)C[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000582757241 430329669 /nfs/dbraw/zinc/32/96/69/430329669.db2.gz DCSCCYOEZHHVPY-QRQLOZEOSA-N 2 1 302.462 2.723 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000545867365 430330587 /nfs/dbraw/zinc/33/05/87/430330587.db2.gz QOBSLAOWPFWKPY-MOPGFXCFSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000545867365 430330592 /nfs/dbraw/zinc/33/05/92/430330592.db2.gz QOBSLAOWPFWKPY-MOPGFXCFSA-N 2 1 302.462 2.964 20 0 DFADMP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCC[N@@H+]1Cc1ccc(Cl)cc1 ZINC000638401524 430331125 /nfs/dbraw/zinc/33/11/25/430331125.db2.gz CLRZDQMERWVPBR-HNNXBMFYSA-N 2 1 323.868 2.500 20 0 DFADMP CN(CC(C)(C)[NH3+])C(=O)[C@@H]1CCC[N@H+]1Cc1ccc(Cl)cc1 ZINC000638401524 430331130 /nfs/dbraw/zinc/33/11/30/430331130.db2.gz CLRZDQMERWVPBR-HNNXBMFYSA-N 2 1 323.868 2.500 20 0 DFADMP CC(C)O[C@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000638411113 430333489 /nfs/dbraw/zinc/33/34/89/430333489.db2.gz GBOFCWUDYYADIR-LJQANCHMSA-N 2 1 320.477 2.589 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@H](CCO)c1ccc(Cl)cc1 ZINC000582794720 430335003 /nfs/dbraw/zinc/33/50/03/430335003.db2.gz PZNCSLMNCIVHDC-MRXNPFEDSA-N 2 1 307.825 2.719 20 0 DFADMP COCCOCC[NH2+][C@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638417391 430335492 /nfs/dbraw/zinc/33/54/92/430335492.db2.gz FTMOBQCYSQBZFU-PKOBYXMFSA-N 2 1 318.461 2.607 20 0 DFADMP COCCOCC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638417391 430335495 /nfs/dbraw/zinc/33/54/95/430335495.db2.gz FTMOBQCYSQBZFU-PKOBYXMFSA-N 2 1 318.461 2.607 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2cccn(C(F)F)c2=O)CC1 ZINC000638429238 430339091 /nfs/dbraw/zinc/33/90/91/430339091.db2.gz IGMJZYTYGZRPBU-UHFFFAOYSA-N 2 1 313.392 2.598 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C[N@H+]2CCC(C)(C)C2)c(F)c1 ZINC000582855451 430342031 /nfs/dbraw/zinc/34/20/31/430342031.db2.gz SBUNLPBHNKKBDP-UHFFFAOYSA-N 2 1 307.413 2.558 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC000546015347 430342480 /nfs/dbraw/zinc/34/24/80/430342480.db2.gz NVURACFLCCEBLU-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000546015347 430342483 /nfs/dbraw/zinc/34/24/83/430342483.db2.gz NVURACFLCCEBLU-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546015347 430342485 /nfs/dbraw/zinc/34/24/85/430342485.db2.gz NVURACFLCCEBLU-GOSISDBHSA-N 2 1 323.525 2.878 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCCC23CC3)CC[N@H+](Cc2ccccc2)C1 ZINC000568274624 430343138 /nfs/dbraw/zinc/34/31/38/430343138.db2.gz FBZKFNIUNGJZOI-HKUYNNGSSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@]1(C[NH2+][C@H]2CCCC23CC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000568274624 430343142 /nfs/dbraw/zinc/34/31/42/430343142.db2.gz FBZKFNIUNGJZOI-HKUYNNGSSA-N 2 1 300.446 2.546 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)sn1 ZINC000638446445 430345152 /nfs/dbraw/zinc/34/51/52/430345152.db2.gz XVZBPORODYHDIC-UHFFFAOYSA-N 2 1 305.447 2.682 20 0 DFADMP [NH3+][C@H]1C[C@@H]([NH2+]CCC(=O)N2CCCCCC2)c2ccccc21 ZINC000582899379 430345698 /nfs/dbraw/zinc/34/56/98/430345698.db2.gz ZVNZLNPOIOSONT-DLBZAZTESA-N 2 1 301.434 2.514 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000185424201 277574087 /nfs/dbraw/zinc/57/40/87/277574087.db2.gz BRMKEDDFMMICGS-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP COCCC[NH+]1CCC([NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638481193 430353312 /nfs/dbraw/zinc/35/33/12/430353312.db2.gz FUBHFQFMSBVSMQ-UHFFFAOYSA-N 2 1 306.450 2.594 20 0 DFADMP CCCCCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000546573577 430356082 /nfs/dbraw/zinc/35/60/82/430356082.db2.gz BWUCZRAAAVOKPX-LPHOPBHVSA-N 2 1 320.477 2.973 20 0 DFADMP CCCCCOc1ccc([C@H](C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000546573577 430356088 /nfs/dbraw/zinc/35/60/88/430356088.db2.gz BWUCZRAAAVOKPX-LPHOPBHVSA-N 2 1 320.477 2.973 20 0 DFADMP Cc1cc(C)c(Cn2cc(-c3cccc(C[NH3+])c3)nn2)c(C)[nH+]1 ZINC000641187656 430358481 /nfs/dbraw/zinc/35/84/81/430358481.db2.gz PDXQEMGTUFAPAW-UHFFFAOYSA-N 2 1 307.401 2.772 20 0 DFADMP C[N@H+](CCC[NH+]1CCCCC1)Cc1ccc2c(c1)OCCO2 ZINC000547739251 430417175 /nfs/dbraw/zinc/41/71/75/430417175.db2.gz YQDPUTMALVHPCC-UHFFFAOYSA-N 2 1 304.434 2.766 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCCC1)Cc1ccc2c(c1)OCCO2 ZINC000547739251 430417179 /nfs/dbraw/zinc/41/71/79/430417179.db2.gz YQDPUTMALVHPCC-UHFFFAOYSA-N 2 1 304.434 2.766 20 0 DFADMP C[N@@H+](CCC(=O)NC1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC000547732052 430417189 /nfs/dbraw/zinc/41/71/89/430417189.db2.gz AMJYCIIQRSJBCG-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000583123670 430365695 /nfs/dbraw/zinc/36/56/95/430365695.db2.gz SFKRRVDQQIHIJI-MUQADHOPSA-N 2 1 302.466 2.663 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)C1 ZINC000583123670 430365698 /nfs/dbraw/zinc/36/56/98/430365698.db2.gz SFKRRVDQQIHIJI-MUQADHOPSA-N 2 1 302.466 2.663 20 0 DFADMP OCc1ccc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)cc1 ZINC000638521831 430366143 /nfs/dbraw/zinc/36/61/43/430366143.db2.gz QEZXNPXHTSLRCA-OAQYLSRUSA-N 2 1 324.468 2.833 20 0 DFADMP C[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)C[NH+]1CCCCC1 ZINC000546723038 430366176 /nfs/dbraw/zinc/36/61/76/430366176.db2.gz NVXDOLQDQFIRAL-KRWDZBQOSA-N 2 1 323.525 2.879 20 0 DFADMP Cn1cc(CCC[NH2+]C[C@@H]2CCC[N@H+]2CC2CCCCC2)cn1 ZINC000638522589 430366451 /nfs/dbraw/zinc/36/64/51/430366451.db2.gz TZMKLYPGSGWTKU-IBGZPJMESA-N 2 1 318.509 2.987 20 0 DFADMP C[NH+](C)CCCC1CCN(C(=O)[C@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635752701 430366792 /nfs/dbraw/zinc/36/67/92/430366792.db2.gz MDPKHDIDEYSZRX-GOSISDBHSA-N 2 1 321.509 2.584 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000568626895 430376152 /nfs/dbraw/zinc/37/61/52/430376152.db2.gz MEYYTIOXEXBERD-GOSISDBHSA-N 2 1 310.445 2.670 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000568626895 430376155 /nfs/dbraw/zinc/37/61/55/430376155.db2.gz MEYYTIOXEXBERD-GOSISDBHSA-N 2 1 310.445 2.670 20 0 DFADMP COc1cc(C[C@H](C)[NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000638566313 430377704 /nfs/dbraw/zinc/37/77/04/430377704.db2.gz HCNIYSGIOYGDLP-DOTOQJQBSA-N 2 1 305.466 2.731 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCC(=C3CCC3)CC2)C1 ZINC000638571230 430377821 /nfs/dbraw/zinc/37/78/21/430377821.db2.gz HRSCBCSRLIHMQM-KRWDZBQOSA-N 2 1 319.493 2.587 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000583278816 430381655 /nfs/dbraw/zinc/38/16/55/430381655.db2.gz JGQCDHNAYPULKV-NCOADZHNSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000583278816 430381660 /nfs/dbraw/zinc/38/16/60/430381660.db2.gz JGQCDHNAYPULKV-NCOADZHNSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC000547271114 430382334 /nfs/dbraw/zinc/38/23/34/430382334.db2.gz DWTMKJJUOHOXAD-OXJNMPFZSA-N 2 1 318.505 2.819 20 0 DFADMP C[C@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC000547271114 430382337 /nfs/dbraw/zinc/38/23/37/430382337.db2.gz DWTMKJJUOHOXAD-OXJNMPFZSA-N 2 1 318.505 2.819 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638593848 430383036 /nfs/dbraw/zinc/38/30/36/430383036.db2.gz AINUCUAWSICGNX-ZACQAIPSSA-N 2 1 323.525 2.924 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)C[C@@H]2CCCC(=O)N2)C1 ZINC000638593848 430383040 /nfs/dbraw/zinc/38/30/40/430383040.db2.gz AINUCUAWSICGNX-ZACQAIPSSA-N 2 1 323.525 2.924 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638593845 430383212 /nfs/dbraw/zinc/38/32/12/430383212.db2.gz AINUCUAWSICGNX-BRWVUGGUSA-N 2 1 323.525 2.924 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638593845 430383214 /nfs/dbraw/zinc/38/32/14/430383214.db2.gz AINUCUAWSICGNX-BRWVUGGUSA-N 2 1 323.525 2.924 20 0 DFADMP CC[C@@H](O)C[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000583389025 430389408 /nfs/dbraw/zinc/38/94/08/430389408.db2.gz VIKAYXJDCASBLN-GOSISDBHSA-N 2 1 301.434 2.626 20 0 DFADMP CC[C@@H](O)C[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000583389025 430389412 /nfs/dbraw/zinc/38/94/12/430389412.db2.gz VIKAYXJDCASBLN-GOSISDBHSA-N 2 1 301.434 2.626 20 0 DFADMP COCC1(C[NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CCC1 ZINC000638636444 430395627 /nfs/dbraw/zinc/39/56/27/430395627.db2.gz CGVIUCBSVVDYGB-UHFFFAOYSA-N 2 1 324.509 2.816 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1Cl ZINC000635880578 430402592 /nfs/dbraw/zinc/40/25/92/430402592.db2.gz GKUMSOQBCDNHOG-LBPRGKRZSA-N 2 1 309.841 2.682 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)cc1Cl ZINC000635880578 430402596 /nfs/dbraw/zinc/40/25/96/430402596.db2.gz GKUMSOQBCDNHOG-LBPRGKRZSA-N 2 1 309.841 2.682 20 0 DFADMP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCOC1 ZINC000638669719 430404448 /nfs/dbraw/zinc/40/44/48/430404448.db2.gz AGEGRWACOMJXKS-UAGQMJEPSA-N 2 1 324.490 2.526 20 0 DFADMP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@H]2c2cccs2)CCOC1 ZINC000638669719 430404452 /nfs/dbraw/zinc/40/44/52/430404452.db2.gz AGEGRWACOMJXKS-UAGQMJEPSA-N 2 1 324.490 2.526 20 0 DFADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000583859447 430434785 /nfs/dbraw/zinc/43/47/85/430434785.db2.gz YJMXNDHQPZPDBA-UHFFFAOYSA-N 2 1 320.868 2.982 20 0 DFADMP Cc1nn(Cc2ccccc2Cl)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000583859447 430434789 /nfs/dbraw/zinc/43/47/89/430434789.db2.gz YJMXNDHQPZPDBA-UHFFFAOYSA-N 2 1 320.868 2.982 20 0 DFADMP C[C@H](Cc1ccsc1)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000583899357 430439080 /nfs/dbraw/zinc/43/90/80/430439080.db2.gz MGLCCYFEBITGFR-OAHLLOKOSA-N 2 1 309.523 2.637 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000636024259 430442162 /nfs/dbraw/zinc/44/21/62/430442162.db2.gz JSXBJPOSKIMQHX-UHFFFAOYSA-N 2 1 318.396 2.846 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)c(F)c1 ZINC000636024485 430442719 /nfs/dbraw/zinc/44/27/19/430442719.db2.gz RBSWADQNSUERDG-UHFFFAOYSA-N 2 1 309.429 2.804 20 0 DFADMP CCC[NH+](CCC)CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641715144 430452333 /nfs/dbraw/zinc/45/23/33/430452333.db2.gz HNCWEXRYFGHJEO-UHFFFAOYSA-N 2 1 304.438 2.870 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000584063987 430456924 /nfs/dbraw/zinc/45/69/24/430456924.db2.gz KKMHNGBKZGONMB-MJGOQNOKSA-N 2 1 301.478 2.819 20 0 DFADMP CC(C)OC1CC([N@@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000584098931 430459612 /nfs/dbraw/zinc/45/96/12/430459612.db2.gz PFJHYVLBRXGPMS-VIQWUECVSA-N 2 1 317.477 2.791 20 0 DFADMP CC(C)OC1CC([N@H+]2CC[C@@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000584098931 430459616 /nfs/dbraw/zinc/45/96/16/430459616.db2.gz PFJHYVLBRXGPMS-VIQWUECVSA-N 2 1 317.477 2.791 20 0 DFADMP CC(C)OC1CC([NH+]2CC[C@@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000584098931 430459620 /nfs/dbraw/zinc/45/96/20/430459620.db2.gz PFJHYVLBRXGPMS-VIQWUECVSA-N 2 1 317.477 2.791 20 0 DFADMP CC(C)OC1CC([NH+]2CC[C@@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000584098931 430459623 /nfs/dbraw/zinc/45/96/23/430459623.db2.gz PFJHYVLBRXGPMS-VIQWUECVSA-N 2 1 317.477 2.791 20 0 DFADMP CC[C@@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000584111060 430461046 /nfs/dbraw/zinc/46/10/46/430461046.db2.gz JCJPXJZGMJOZTD-HZPDHXFCSA-N 2 1 323.868 2.548 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000584121248 430462628 /nfs/dbraw/zinc/46/26/28/430462628.db2.gz GDZYPEGPPLJIOL-PMACEKPBSA-N 2 1 312.457 2.873 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)c1ccccc1 ZINC000584121248 430462631 /nfs/dbraw/zinc/46/26/31/430462631.db2.gz GDZYPEGPPLJIOL-PMACEKPBSA-N 2 1 312.457 2.873 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]C/C=C/c1ccc(F)cc1F ZINC000641772507 430468162 /nfs/dbraw/zinc/46/81/62/430468162.db2.gz PLKRJCICIOCDEQ-SQRWCISFSA-N 2 1 312.404 2.660 20 0 DFADMP C[C@@H](C(=O)N(C)C(C)(C)C[NH+]1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000584339894 430474223 /nfs/dbraw/zinc/47/42/23/430474223.db2.gz HUQIPISRLOAWMF-XHSDSOJGSA-N 2 1 309.498 2.581 20 0 DFADMP C[N@@H+](CCCC[NH2+]C[C@@H](O)Cc1cccc(Cl)c1)C1CC1 ZINC000569687286 430476871 /nfs/dbraw/zinc/47/68/71/430476871.db2.gz RFHWTFFCEILMIF-KRWDZBQOSA-N 2 1 310.869 2.707 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000548454425 430477373 /nfs/dbraw/zinc/47/73/73/430477373.db2.gz OSONWPKFQILYKT-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1cccc(Cl)c1Cl ZINC000641803670 430477657 /nfs/dbraw/zinc/47/76/57/430477657.db2.gz DIWMKGRMUKGYRW-GHMZBOCLSA-N 2 1 316.232 2.647 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]CC(=O)Nc1ccc(Cl)c(Cl)c1 ZINC000641803950 430478070 /nfs/dbraw/zinc/47/80/70/430478070.db2.gz GJOSIDKXRDXQGV-NEPJUHHUSA-N 2 1 316.232 2.647 20 0 DFADMP CC[C@H](NC(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccc(Cl)cc1 ZINC000641804918 430478754 /nfs/dbraw/zinc/47/87/54/430478754.db2.gz MFIBJYUEZNWODA-SOUVJXGZSA-N 2 1 323.868 2.623 20 0 DFADMP CC[C@H](C)c1ccc(NC(=O)C[NH2+][C@@H]2C[C@H]([NH3+])C2(C)C)cc1 ZINC000641808470 430480206 /nfs/dbraw/zinc/48/02/06/430480206.db2.gz YNFPIKZZMCJXGM-VBNZEHGJSA-N 2 1 303.450 2.854 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000583740555 430423756 /nfs/dbraw/zinc/42/37/56/430423756.db2.gz YGEHTAPCOQMLPA-WFASDCNBSA-N 2 1 309.841 2.789 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CN[C@H](c2ncc[nH]2)c2ccccn2)C1 ZINC000569737873 430482560 /nfs/dbraw/zinc/48/25/60/430482560.db2.gz DZNWMOHPIRRIQS-WBVHZDCISA-N 2 1 313.449 2.604 20 0 DFADMP C[C@@H]([NH2+]Cc1c[nH]c2ncncc12)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638970671 430483639 /nfs/dbraw/zinc/48/36/39/430483639.db2.gz MVRSTXKNVQPFLV-KGLIPLIRSA-N 2 1 313.449 2.652 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000638969362 430483867 /nfs/dbraw/zinc/48/38/67/430483867.db2.gz GKTWMSFVAORVBW-NCOADZHNSA-N 2 1 321.509 2.676 20 0 DFADMP OC[C@H]1CCC[N@H+]1Cc1ccccc1C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638970320 430484018 /nfs/dbraw/zinc/48/40/18/430484018.db2.gz LTKNMZHIPPKXEU-XWPNQZOQSA-N 2 1 314.473 2.779 20 0 DFADMP C[NH+](C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH3+])CC1)c1cccc(Cl)c1 ZINC000638967982 430484050 /nfs/dbraw/zinc/48/40/50/430484050.db2.gz MWLSWEORQXWQSV-RCBQFDQVSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@@](C)(C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO)OC ZINC000638972565 430484560 /nfs/dbraw/zinc/48/45/60/430484560.db2.gz VGKNRBUVKZXRCV-OALUTQOASA-N 2 1 320.477 2.548 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)N2CCCC2)o1 ZINC000569919119 430496902 /nfs/dbraw/zinc/49/69/02/430496902.db2.gz JPMXVZCQDKGYSY-ULQDDVLXSA-N 2 1 305.466 2.703 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1CCc1ccccc1 ZINC000569937771 430499109 /nfs/dbraw/zinc/49/91/09/430499109.db2.gz NNHPYVCZRZTXOM-RTBURBONSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)CCc1noc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)n1 ZINC000570070362 430510672 /nfs/dbraw/zinc/51/06/72/430510672.db2.gz OSBNBWAZBVZBEY-HNNXBMFYSA-N 2 1 306.454 2.622 20 0 DFADMP c1cc(CCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc2c1OCC2 ZINC000570092970 430513772 /nfs/dbraw/zinc/51/37/72/430513772.db2.gz BZDWEXXQPQHLIK-IBGZPJMESA-N 2 1 300.446 2.630 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)C[C@H]1CC[NH+](C)C1)CC2 ZINC000639082386 430517678 /nfs/dbraw/zinc/51/76/78/430517678.db2.gz ZMTLFODOOWULBK-XJKSGUPXSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)C[C@H]1CC[N@H+](C)C1)CC2 ZINC000639082386 430517681 /nfs/dbraw/zinc/51/76/81/430517681.db2.gz ZMTLFODOOWULBK-XJKSGUPXSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)C[C@H]1CC[N@@H+](C)C1)CC2 ZINC000639082386 430517684 /nfs/dbraw/zinc/51/76/84/430517684.db2.gz ZMTLFODOOWULBK-XJKSGUPXSA-N 2 1 304.434 2.575 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)[C@@H](C(C)C)C2)o1 ZINC000636339932 430519774 /nfs/dbraw/zinc/51/97/74/430519774.db2.gz QDFJVAGBTOPFSN-MRXNPFEDSA-N 2 1 321.465 2.534 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@@H](C(C)C)C2)o1 ZINC000636339932 430519778 /nfs/dbraw/zinc/51/97/78/430519778.db2.gz QDFJVAGBTOPFSN-MRXNPFEDSA-N 2 1 321.465 2.534 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000639106187 430526348 /nfs/dbraw/zinc/52/63/48/430526348.db2.gz WXDHGZMETXSQEI-ROUUACIJSA-N 2 1 301.478 2.929 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCn3cc[nH+]c3C2)C12CCCC2 ZINC000639107917 430527903 /nfs/dbraw/zinc/52/79/03/430527903.db2.gz USFMVRRRBKLGMI-BZUAXINKSA-N 2 1 303.450 2.773 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC[C@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120808 430531902 /nfs/dbraw/zinc/53/19/02/430531902.db2.gz USQGATMPHCEWPC-OTWHNJEPSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCC[C@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120808 430531906 /nfs/dbraw/zinc/53/19/06/430531906.db2.gz USQGATMPHCEWPC-OTWHNJEPSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCC[C@H]4CCO4)C[C@H]3C2)cc1 ZINC000639120808 430531910 /nfs/dbraw/zinc/53/19/10/430531910.db2.gz USQGATMPHCEWPC-OTWHNJEPSA-N 2 1 300.446 2.619 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570331966 430533396 /nfs/dbraw/zinc/53/33/96/430533396.db2.gz WGDSCZLMWLCNCT-HOTGVXAUSA-N 2 1 324.415 2.789 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570331966 430533399 /nfs/dbraw/zinc/53/33/99/430533399.db2.gz WGDSCZLMWLCNCT-HOTGVXAUSA-N 2 1 324.415 2.789 20 0 DFADMP CO[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000639125260 430533692 /nfs/dbraw/zinc/53/36/92/430533692.db2.gz YYSVINWUIPQWIS-WMZOPIPTSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@@H](C[NH+](C)C)N[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639168827 430551477 /nfs/dbraw/zinc/55/14/77/430551477.db2.gz VLJJYXQOZDTTSI-KVSKMBFKSA-N 2 1 301.478 2.894 20 0 DFADMP CC[N@@H+](Cc1c[nH]c2ncncc12)Cc1ccc(C[NH+](C)C)cc1 ZINC000639172427 430554160 /nfs/dbraw/zinc/55/41/60/430554160.db2.gz LPUGDPJDNNTOOR-UHFFFAOYSA-N 2 1 323.444 2.993 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)C[C@@H](OC)C1CCOCC1 ZINC000639176240 430556678 /nfs/dbraw/zinc/55/66/78/430556678.db2.gz DHZQRDODXIKGST-QGZVFWFLSA-N 2 1 323.481 2.599 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)C[C@@H](OC)C1CCOCC1 ZINC000639176240 430556682 /nfs/dbraw/zinc/55/66/82/430556682.db2.gz DHZQRDODXIKGST-QGZVFWFLSA-N 2 1 323.481 2.599 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178948 430557649 /nfs/dbraw/zinc/55/76/49/430557649.db2.gz PVAUKOLACXXNGK-NLWGTHIKSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178948 430557651 /nfs/dbraw/zinc/55/76/51/430557651.db2.gz PVAUKOLACXXNGK-NLWGTHIKSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639178948 430557652 /nfs/dbraw/zinc/55/76/52/430557652.db2.gz PVAUKOLACXXNGK-NLWGTHIKSA-N 2 1 313.489 2.929 20 0 DFADMP COc1ccc(COCC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc1 ZINC000643441036 430601066 /nfs/dbraw/zinc/60/10/66/430601066.db2.gz OBLNZWQBNJCDJX-INMHGKMJSA-N 2 1 306.450 2.517 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639189231 430564042 /nfs/dbraw/zinc/56/40/42/430564042.db2.gz DXFPIMRENWMYFU-HKUYNNGSSA-N 2 1 310.445 2.910 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639189231 430564043 /nfs/dbraw/zinc/56/40/43/430564043.db2.gz DXFPIMRENWMYFU-HKUYNNGSSA-N 2 1 310.445 2.910 20 0 DFADMP CO[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643251891 430566467 /nfs/dbraw/zinc/56/64/67/430566467.db2.gz RXDSYUGWCWQXPD-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CO[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643251891 430566469 /nfs/dbraw/zinc/56/64/69/430566469.db2.gz RXDSYUGWCWQXPD-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206909 430572771 /nfs/dbraw/zinc/57/27/71/430572771.db2.gz CZXGPAPBDDPQKA-QUCCMNQESA-N 2 1 313.489 2.931 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206909 430572773 /nfs/dbraw/zinc/57/27/73/430572773.db2.gz CZXGPAPBDDPQKA-QUCCMNQESA-N 2 1 313.489 2.931 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206909 430572776 /nfs/dbraw/zinc/57/27/76/430572776.db2.gz CZXGPAPBDDPQKA-QUCCMNQESA-N 2 1 313.489 2.931 20 0 DFADMP C[C@@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000639233937 430582332 /nfs/dbraw/zinc/58/23/32/430582332.db2.gz YZRAWBIDCTYJJM-KVSKMBFKSA-N 2 1 301.478 2.894 20 0 DFADMP C[S@](=O)Cc1ccc(C[NH2+]C2CC[NH+](CC3CC3)CC2)cc1 ZINC000552086432 430583341 /nfs/dbraw/zinc/58/33/41/430583341.db2.gz GXUNUXVZSULOSC-QFIPXVFZSA-N 2 1 320.502 2.529 20 0 DFADMP CCCC(=O)Nc1cccc(CNCc2cnc(C)n2C)c1 ZINC000570868806 430584481 /nfs/dbraw/zinc/58/44/81/430584481.db2.gz WDOWOQYTLXYQLQ-UHFFFAOYSA-N 2 1 300.406 2.757 20 0 DFADMP C[C@@H](N[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000570440273 430542843 /nfs/dbraw/zinc/54/28/43/430542843.db2.gz ASPMXINCMRUWDB-LFGUQSLTSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000570440273 430542847 /nfs/dbraw/zinc/54/28/47/430542847.db2.gz ASPMXINCMRUWDB-LFGUQSLTSA-N 2 1 315.505 2.875 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH+]2CCCC2)c1 ZINC000571821145 430654949 /nfs/dbraw/zinc/65/49/49/430654949.db2.gz NIMAUVMKMUTQFX-SCTDSRPQSA-N 2 1 317.477 2.692 20 0 DFADMP C[N@H+](Cc1cc[nH]c(=O)c1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000639503544 430657941 /nfs/dbraw/zinc/65/79/41/430657941.db2.gz NBNVCVQEDUVADJ-SFHVURJKSA-N 2 1 311.429 2.741 20 0 DFADMP C[NH+](Cc1cc[nH]c(=O)c1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000639503544 430657945 /nfs/dbraw/zinc/65/79/45/430657945.db2.gz NBNVCVQEDUVADJ-SFHVURJKSA-N 2 1 311.429 2.741 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](CCc2cnccn2)CC1 ZINC000639518256 430660283 /nfs/dbraw/zinc/66/02/83/430660283.db2.gz CXVPCDXCCCWMGP-KRWDZBQOSA-N 2 1 316.493 2.996 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469418 430605475 /nfs/dbraw/zinc/60/54/75/430605475.db2.gz UEDPWNGGRBDYRH-DOMZBBRYSA-N 2 1 311.267 2.969 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000643467742 430605818 /nfs/dbraw/zinc/60/58/18/430605818.db2.gz YARURUHQOWPFGR-JFIYKMOQSA-N 2 1 321.509 2.820 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643536484 430614012 /nfs/dbraw/zinc/61/40/12/430614012.db2.gz UIPQQWQAEFXIDM-QXAKKESOSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC12CC[NH2+]CC2)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000643536484 430614014 /nfs/dbraw/zinc/61/40/14/430614014.db2.gz UIPQQWQAEFXIDM-QXAKKESOSA-N 2 1 313.489 2.629 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000643537071 430614329 /nfs/dbraw/zinc/61/43/29/430614329.db2.gz YSYHRMFMWFUNMF-KBXCAEBGSA-N 3 1 310.445 2.973 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC(C)(C)C2)c(C[NH+](C)C)c1 ZINC000553465481 430617487 /nfs/dbraw/zinc/61/74/87/430617487.db2.gz CWTOEKGDBPBKTH-UHFFFAOYSA-N 2 1 303.450 2.727 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000554096971 430629721 /nfs/dbraw/zinc/62/97/21/430629721.db2.gz SXQKNAXRBNLPNY-WDSOQIARSA-N 2 1 304.478 2.751 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000554213597 430630471 /nfs/dbraw/zinc/63/04/71/430630471.db2.gz DRXZLOFZBHJQFG-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000554213597 430630473 /nfs/dbraw/zinc/63/04/73/430630473.db2.gz DRXZLOFZBHJQFG-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000554213597 430630474 /nfs/dbraw/zinc/63/04/74/430630474.db2.gz DRXZLOFZBHJQFG-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639389550 430630879 /nfs/dbraw/zinc/63/08/79/430630879.db2.gz KVZOMVPITHTFQM-BVBHFADKSA-N 2 1 300.446 2.858 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639389550 430630880 /nfs/dbraw/zinc/63/08/80/430630880.db2.gz KVZOMVPITHTFQM-BVBHFADKSA-N 2 1 300.446 2.858 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000571937447 430661622 /nfs/dbraw/zinc/66/16/22/430661622.db2.gz XJUVHNGGQFCNHE-SJORKVTESA-N 2 1 318.486 2.934 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](Cc1ccccc1)c1cccs1 ZINC000571937447 430661624 /nfs/dbraw/zinc/66/16/24/430661624.db2.gz XJUVHNGGQFCNHE-SJORKVTESA-N 2 1 318.486 2.934 20 0 DFADMP C[C@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@H](C)S1 ZINC000571631521 430642404 /nfs/dbraw/zinc/64/24/04/430642404.db2.gz HFHTZEROVKSAAB-HOTGVXAUSA-N 2 1 320.502 2.845 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])CC1 ZINC000572359234 430683937 /nfs/dbraw/zinc/68/39/37/430683937.db2.gz AEEIBZAFTFOGRU-QZTJIDSGSA-N 2 1 323.525 2.863 20 0 DFADMP CC(C)c1ccc([C@H](C)[N@H+]2CC[C@H](N3CC[NH2+]CC3)C2)cc1 ZINC000262521106 278047971 /nfs/dbraw/zinc/04/79/71/278047971.db2.gz OCCDEMZEOFHLQL-LPHOPBHVSA-N 2 1 301.478 2.851 20 0 DFADMP C[C@H](C(=O)NC[C@H](C)[N@H+]1CCCC[C@H]1C)[NH+]1CCCCCC1 ZINC000357774837 278152053 /nfs/dbraw/zinc/15/20/53/278152053.db2.gz ZNGLYXQOMDMWHX-IXDOHACOSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H](CNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000296108978 278197874 /nfs/dbraw/zinc/19/78/74/278197874.db2.gz SGCAPMGFBOHWGA-NXHRZFHOSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374173159 278206045 /nfs/dbraw/zinc/20/60/45/278206045.db2.gz HCKASYPORZFIPG-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000274750875 278341313 /nfs/dbraw/zinc/34/13/13/278341313.db2.gz HKHWQZYUMGCHFP-YLJYHZDGSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[NH+](C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274750875 278341314 /nfs/dbraw/zinc/34/13/14/278341314.db2.gz HKHWQZYUMGCHFP-YLJYHZDGSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274750875 278341316 /nfs/dbraw/zinc/34/13/16/278341316.db2.gz HKHWQZYUMGCHFP-YLJYHZDGSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278158462 278365260 /nfs/dbraw/zinc/36/52/60/278365260.db2.gz ATJZPWONMPATNF-RYRKJORJSA-N 2 1 312.461 2.981 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccnn1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000278158462 278365261 /nfs/dbraw/zinc/36/52/61/278365261.db2.gz ATJZPWONMPATNF-RYRKJORJSA-N 2 1 312.461 2.981 20 0 DFADMP COc1ccc(CCC[N@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000572982433 430698846 /nfs/dbraw/zinc/69/88/46/430698846.db2.gz VTCDWEPCXBMRQV-UHFFFAOYSA-N 2 1 301.434 2.926 20 0 DFADMP COc1ccc(CCC[N@@H+](C)CCCc2c[nH+]cn2C)cc1 ZINC000572982433 430698847 /nfs/dbraw/zinc/69/88/47/430698847.db2.gz VTCDWEPCXBMRQV-UHFFFAOYSA-N 2 1 301.434 2.926 20 0 DFADMP Fc1ccc(/C=C/C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1F ZINC000657753190 430726304 /nfs/dbraw/zinc/72/63/04/430726304.db2.gz VEIIRENVLBZZCC-XGBNDESESA-N 2 1 322.399 2.821 20 0 DFADMP c1cc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc(C2CC2)c1 ZINC000657752822 430726560 /nfs/dbraw/zinc/72/65/60/430726560.db2.gz SDBJUNPEZQNSKI-IBGZPJMESA-N 2 1 300.446 2.907 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000644654601 430781578 /nfs/dbraw/zinc/78/15/78/430781578.db2.gz KMELKTYLFFNKNP-HBMCJLEFSA-N 2 1 324.468 2.873 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000644654601 430781593 /nfs/dbraw/zinc/78/15/93/430781593.db2.gz KMELKTYLFFNKNP-HBMCJLEFSA-N 2 1 324.468 2.873 20 0 DFADMP c1n[nH]cc1C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000657772079 430733359 /nfs/dbraw/zinc/73/33/59/430733359.db2.gz RCSKKNLJDKZKFI-SFHVURJKSA-N 2 1 310.445 2.802 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657811100 430741101 /nfs/dbraw/zinc/74/11/01/430741101.db2.gz QMJLFEGNJMLOHR-LXPRWKDFSA-N 2 1 300.446 2.544 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657811100 430741107 /nfs/dbraw/zinc/74/11/07/430741107.db2.gz QMJLFEGNJMLOHR-LXPRWKDFSA-N 2 1 300.446 2.544 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)Cc1ccc2ccccc2c1 ZINC000644521991 430741839 /nfs/dbraw/zinc/74/18/39/430741839.db2.gz NDNJUPQLZIZLDC-PWRODBHTSA-N 2 1 324.468 2.960 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)Cc1ccc2ccccc2c1 ZINC000644521991 430741843 /nfs/dbraw/zinc/74/18/43/430741843.db2.gz NDNJUPQLZIZLDC-PWRODBHTSA-N 2 1 324.468 2.960 20 0 DFADMP Cc1cccc(CC[NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000644533526 430745620 /nfs/dbraw/zinc/74/56/20/430745620.db2.gz FCMLGAIGLOLGCX-FQEVSTJZSA-N 2 1 312.457 2.620 20 0 DFADMP Cc1cccc(CC[NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000644533526 430745626 /nfs/dbraw/zinc/74/56/26/430745626.db2.gz FCMLGAIGLOLGCX-FQEVSTJZSA-N 2 1 312.457 2.620 20 0 DFADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657866418 430756402 /nfs/dbraw/zinc/75/64/02/430756402.db2.gz BNSJLDUVMGDPAY-OALUTQOASA-N 2 1 324.472 2.872 20 0 DFADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657866418 430756405 /nfs/dbraw/zinc/75/64/05/430756405.db2.gz BNSJLDUVMGDPAY-OALUTQOASA-N 2 1 324.472 2.872 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C2CC(CF)(CF)C2)[C@H](C)C1 ZINC000657884543 430761312 /nfs/dbraw/zinc/76/13/12/430761312.db2.gz VGGFXIPXEGREDU-ZBFHGGJFSA-N 2 1 318.452 2.801 20 0 DFADMP CC[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000657942750 430773786 /nfs/dbraw/zinc/77/37/86/430773786.db2.gz CEPQMALKHCTFKE-MRXNPFEDSA-N 2 1 310.869 2.707 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000648406080 430775066 /nfs/dbraw/zinc/77/50/66/430775066.db2.gz PEXCVUNQVOARIS-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCO1 ZINC000648406031 430776151 /nfs/dbraw/zinc/77/61/51/430776151.db2.gz AFHXDYLFHODQHB-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000644637033 430776273 /nfs/dbraw/zinc/77/62/73/430776273.db2.gz DOJGKQNLHUJGNH-QRTARXTBSA-N 2 1 308.853 2.631 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1C[C@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000644637033 430776278 /nfs/dbraw/zinc/77/62/78/430776278.db2.gz DOJGKQNLHUJGNH-QRTARXTBSA-N 2 1 308.853 2.631 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000644637428 430776589 /nfs/dbraw/zinc/77/65/89/430776589.db2.gz HGEAUQYFTZZSBE-HOTGVXAUSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@H]1CCC(F)(F)C1 ZINC000644637428 430776592 /nfs/dbraw/zinc/77/65/92/430776592.db2.gz HGEAUQYFTZZSBE-HOTGVXAUSA-N 2 1 312.404 2.504 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000658121007 430819636 /nfs/dbraw/zinc/81/96/36/430819636.db2.gz YZCZZXKETBICPB-BMFZPTHFSA-N 2 1 304.434 2.666 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000658121007 430819641 /nfs/dbraw/zinc/81/96/41/430819641.db2.gz YZCZZXKETBICPB-BMFZPTHFSA-N 2 1 304.434 2.666 20 0 DFADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000654856585 430830727 /nfs/dbraw/zinc/83/07/27/430830727.db2.gz UGRNHPWASWMSGA-INIZCTEOSA-N 2 1 324.428 2.608 20 0 DFADMP CN(C)c1cc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc[nH+]1 ZINC000654856585 430830732 /nfs/dbraw/zinc/83/07/32/430830732.db2.gz UGRNHPWASWMSGA-INIZCTEOSA-N 2 1 324.428 2.608 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648437621 430787564 /nfs/dbraw/zinc/78/75/64/430787564.db2.gz AEWKJTVIBNTFLU-LJQANCHMSA-N 2 1 302.462 2.634 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccccn2)[C@@H](C)C1 ZINC000658061663 430795177 /nfs/dbraw/zinc/79/51/77/430795177.db2.gz CAAMSZKZHXAQJL-AOIWGVFYSA-N 2 1 319.493 2.912 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658223402 430845964 /nfs/dbraw/zinc/84/59/64/430845964.db2.gz YZQAGBMKOIJMNQ-KKUMJFAQSA-N 2 1 304.425 2.758 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000651697629 430851388 /nfs/dbraw/zinc/85/13/88/430851388.db2.gz MIZPPRUEOUKJPK-QGZVFWFLSA-N 2 1 321.428 2.790 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000651697628 430851664 /nfs/dbraw/zinc/85/16/64/430851664.db2.gz MIZPPRUEOUKJPK-KRWDZBQOSA-N 2 1 321.428 2.790 20 0 DFADMP C[NH+](C)CC[C@H]([NH2+]Cc1cnnn1-c1ccccc1)C(C)(C)C ZINC000651712286 430855665 /nfs/dbraw/zinc/85/56/65/430855665.db2.gz ZLCIWGSPYHQZMI-KRWDZBQOSA-N 2 1 315.465 2.723 20 0 DFADMP CC1(C)CCC(O)(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000658282261 430859968 /nfs/dbraw/zinc/85/99/68/430859968.db2.gz NTXDESDSDUUPIG-QGZVFWFLSA-N 2 1 324.509 2.551 20 0 DFADMP CN(C)c1cc[nH+]c(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000654996261 430862901 /nfs/dbraw/zinc/86/29/01/430862901.db2.gz LUFUIITUCFUGGQ-INIZCTEOSA-N 2 1 324.428 2.608 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CCC[NH2+]CC2)on1 ZINC000665299281 430889268 /nfs/dbraw/zinc/88/92/68/430889268.db2.gz JVPUPUJLRGKCMI-CYBMUJFWSA-N 2 1 301.390 2.582 20 0 DFADMP C[C@H]1[C@@H](NCC2([NH3+])CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000665247005 430867855 /nfs/dbraw/zinc/86/78/55/430867855.db2.gz SXUOURINBSFMJT-WMZOPIPTSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@H]1[C@@H](NCC2([NH3+])CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000665247005 430867857 /nfs/dbraw/zinc/86/78/57/430867857.db2.gz SXUOURINBSFMJT-WMZOPIPTSA-N 2 1 301.478 2.901 20 0 DFADMP Cc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1C ZINC000665246073 430868311 /nfs/dbraw/zinc/86/83/11/430868311.db2.gz YINZEUHYAGAQGQ-OTWHNJEPSA-N 2 1 302.462 2.593 20 0 DFADMP C[C@@H]1CC[NH+](CCCC[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858380 430869749 /nfs/dbraw/zinc/86/97/49/430869749.db2.gz RQBRAQORRMFNFH-BDXSIMOUSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@H]1[C@H](O)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723994 430871750 /nfs/dbraw/zinc/87/17/50/430871750.db2.gz LCYMPBNDISHDFH-QFBILLFUSA-N 2 1 318.461 2.506 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000665257498 430872848 /nfs/dbraw/zinc/87/28/48/430872848.db2.gz LJRVHJAZJKTORM-XMTFNYHQSA-N 2 1 306.425 2.818 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@H](C)[C@H]2C[C@@H]2C)cc1F ZINC000665259769 430872884 /nfs/dbraw/zinc/87/28/84/430872884.db2.gz PEJKWMQTDIPUPW-QGGCBUBRSA-N 2 1 306.425 2.914 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](C)[C@@H]2C)c1 ZINC000648730262 430873536 /nfs/dbraw/zinc/87/35/36/430873536.db2.gz OZKVURSTYDOSST-RHSMWYFYSA-N 2 1 303.450 2.807 20 0 DFADMP Cc1ccc2oc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000665262256 430874383 /nfs/dbraw/zinc/87/43/83/430874383.db2.gz XDAUMULKJLJGLB-KZNAEPCWSA-N 2 1 314.429 2.988 20 0 DFADMP CO[C@@]1(C)C[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000658330512 430876387 /nfs/dbraw/zinc/87/63/87/430876387.db2.gz DPHZPGVEQJUNMF-TZOQOTQKSA-N 2 1 300.446 2.949 20 0 DFADMP Cc1cc(Br)c(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)s1 ZINC000665266441 430877446 /nfs/dbraw/zinc/87/74/46/430877446.db2.gz BBROIGUUOIOGHH-VHSXEESVSA-N 2 1 303.269 2.907 20 0 DFADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000665274779 430879231 /nfs/dbraw/zinc/87/92/31/430879231.db2.gz YHTFCMGPBUQEMZ-ZRSRNVLSSA-N 2 1 300.446 2.679 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1nccn1C)c1cccc(OCC[NH+](C)C)c1 ZINC000658335069 430879200 /nfs/dbraw/zinc/87/92/00/430879200.db2.gz JGZATSFUYVCOKA-CABCVRRESA-N 2 1 316.449 2.772 20 0 DFADMP C[C@@H]([NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1nccn1C ZINC000658335071 430879324 /nfs/dbraw/zinc/87/93/24/430879324.db2.gz JGZATSFUYVCOKA-HUUCEWRRSA-N 2 1 316.449 2.772 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000658337946 430879412 /nfs/dbraw/zinc/87/94/12/430879412.db2.gz BLTOVRHKLUTGGU-RXABAKJHSA-N 2 1 302.462 2.613 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299916 430890658 /nfs/dbraw/zinc/89/06/58/430890658.db2.gz VILFNBNLIUCBCB-YOEHRIQHSA-N 3 1 316.493 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299916 430890662 /nfs/dbraw/zinc/89/06/62/430890662.db2.gz VILFNBNLIUCBCB-YOEHRIQHSA-N 2 1 316.493 2.621 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299916 430890668 /nfs/dbraw/zinc/89/06/68/430890668.db2.gz VILFNBNLIUCBCB-YOEHRIQHSA-N 2 1 316.493 2.621 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2ccccc2-n2ccnc21)[C@@H]1CCC[NH2+]C1 ZINC000665299661 430891411 /nfs/dbraw/zinc/89/14/11/430891411.db2.gz QYOWLXMKPQRXED-UAGQMJEPSA-N 2 1 310.445 2.837 20 0 DFADMP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299636 430891498 /nfs/dbraw/zinc/89/14/98/430891498.db2.gz QRPZPNGGUNSYNE-VJANTYMQSA-N 3 1 305.510 2.619 20 0 DFADMP C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299636 430891501 /nfs/dbraw/zinc/89/15/01/430891501.db2.gz QRPZPNGGUNSYNE-VJANTYMQSA-N 2 1 305.510 2.619 20 0 DFADMP C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299636 430891505 /nfs/dbraw/zinc/89/15/05/430891505.db2.gz QRPZPNGGUNSYNE-VJANTYMQSA-N 2 1 305.510 2.619 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000648793909 430893066 /nfs/dbraw/zinc/89/30/66/430893066.db2.gz VINIDOVEAAUTTG-BZUAXINKSA-N 2 1 320.481 2.728 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000648793909 430893071 /nfs/dbraw/zinc/89/30/71/430893071.db2.gz VINIDOVEAAUTTG-BZUAXINKSA-N 2 1 320.481 2.728 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000651866009 430899849 /nfs/dbraw/zinc/89/98/49/430899849.db2.gz QFSOMMVQKPVYNT-UHFFFAOYSA-N 2 1 301.438 2.539 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1cc(-c2cccnc2)n[nH]1 ZINC000651866009 430899856 /nfs/dbraw/zinc/89/98/56/430899856.db2.gz QFSOMMVQKPVYNT-UHFFFAOYSA-N 2 1 301.438 2.539 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH+](C)[C@@H]3C)c2C1 ZINC000648835102 430908801 /nfs/dbraw/zinc/90/88/01/430908801.db2.gz CGCCPPBTCMRUOI-GDBMZVCRSA-N 2 1 315.461 2.937 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)c2C1 ZINC000648835102 430908806 /nfs/dbraw/zinc/90/88/06/430908806.db2.gz CGCCPPBTCMRUOI-GDBMZVCRSA-N 2 1 315.461 2.937 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3CC[N@@H+](C)[C@@H]3C)c2C1 ZINC000648835102 430908811 /nfs/dbraw/zinc/90/88/11/430908811.db2.gz CGCCPPBTCMRUOI-GDBMZVCRSA-N 2 1 315.461 2.937 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CCC(F)CC1 ZINC000661999867 430918271 /nfs/dbraw/zinc/91/82/71/430918271.db2.gz ILIOTVUHGBUPOT-GWFLUQINSA-N 2 1 322.468 2.986 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)C1CCC(F)CC1 ZINC000661999867 430918272 /nfs/dbraw/zinc/91/82/72/430918272.db2.gz ILIOTVUHGBUPOT-GWFLUQINSA-N 2 1 322.468 2.986 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000648872457 430922956 /nfs/dbraw/zinc/92/29/56/430922956.db2.gz BTDHYBCNFWTYAR-SFHVURJKSA-N 2 1 319.493 2.542 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000648881264 430924127 /nfs/dbraw/zinc/92/41/27/430924127.db2.gz SFROYHZVIVYODA-GOEBONIOSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1CCCC[N@H+]1C1CC1 ZINC000648881264 430924129 /nfs/dbraw/zinc/92/41/29/430924129.db2.gz SFROYHZVIVYODA-GOEBONIOSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1nccn1[C@@H](C)CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000648885971 430926478 /nfs/dbraw/zinc/92/64/78/430926478.db2.gz ZDGIULBWFKFMIZ-LSDHHAIUSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C ZINC000648885971 430926490 /nfs/dbraw/zinc/92/64/90/430926490.db2.gz ZDGIULBWFKFMIZ-LSDHHAIUSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000648907500 430932411 /nfs/dbraw/zinc/93/24/11/430932411.db2.gz BEFOLZSYAFWRKP-FUHWJXTLSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H](C3CCC3)C2)CC1 ZINC000662041516 430935057 /nfs/dbraw/zinc/93/50/57/430935057.db2.gz BRMBIWARYDGDDG-IBGZPJMESA-N 2 1 307.526 2.915 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655351761 430973141 /nfs/dbraw/zinc/97/31/41/430973141.db2.gz SKAXNHHLLWHSCY-PMPSAXMXSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655351761 430973143 /nfs/dbraw/zinc/97/31/43/430973143.db2.gz SKAXNHHLLWHSCY-PMPSAXMXSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000655351759 430974620 /nfs/dbraw/zinc/97/46/20/430974620.db2.gz SKAXNHHLLWHSCY-OAGGEKHMSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12 ZINC000655351759 430974625 /nfs/dbraw/zinc/97/46/25/430974625.db2.gz SKAXNHHLLWHSCY-OAGGEKHMSA-N 2 1 318.465 2.530 20 0 DFADMP C[C@@H](CN1CCC([N@H+]2CC[C@H](O)C2)CC1)c1cccc(Cl)c1 ZINC000662151258 430979980 /nfs/dbraw/zinc/97/99/80/430979980.db2.gz HBXBQQUQBIAEIB-KSSFIOAISA-N 2 1 322.880 2.975 20 0 DFADMP C[C@@H](c1ccccc1Cl)N1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662154420 430981491 /nfs/dbraw/zinc/98/14/91/430981491.db2.gz FDJLJRKHRXQGRD-DZGCQCFKSA-N 2 1 308.853 2.932 20 0 DFADMP CC[C@@H](c1ccc(F)cc1F)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662152508 430981755 /nfs/dbraw/zinc/98/17/55/430981755.db2.gz GQUTXIHYGGUQOT-YJBOKZPZSA-N 2 1 324.415 2.947 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000645250181 430952241 /nfs/dbraw/zinc/95/22/41/430952241.db2.gz AJBWUJIWSGUDLG-FHWLQOOXSA-N 2 1 316.489 2.990 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000645250181 430952246 /nfs/dbraw/zinc/95/22/46/430952246.db2.gz AJBWUJIWSGUDLG-FHWLQOOXSA-N 2 1 316.489 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000645250181 430952248 /nfs/dbraw/zinc/95/22/48/430952248.db2.gz AJBWUJIWSGUDLG-FHWLQOOXSA-N 2 1 316.489 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC(C)(C)[C@H]2CCC[C@@H]21 ZINC000645250181 430952254 /nfs/dbraw/zinc/95/22/54/430952254.db2.gz AJBWUJIWSGUDLG-FHWLQOOXSA-N 2 1 316.489 2.990 20 0 DFADMP CCCN(C(=O)C[C@@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000648996656 430962956 /nfs/dbraw/zinc/96/29/56/430962956.db2.gz XLRDWZBSOCKJRE-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@@H]([NH2+]CCC[NH+](C)C)c1cc(OC)c(OC)c(OC)c1 ZINC000652133076 430969042 /nfs/dbraw/zinc/96/90/42/430969042.db2.gz GAKOLZHHRUUAAG-CQSZACIVSA-N 2 1 310.438 2.705 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662257923 431019549 /nfs/dbraw/zinc/01/95/49/431019549.db2.gz RILADUXQLAKZOA-QZTJIDSGSA-N 2 1 300.446 2.523 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662262285 431021658 /nfs/dbraw/zinc/02/16/58/431021658.db2.gz DZKKQXJBDJDVIW-GOSISDBHSA-N 2 1 310.445 2.502 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H]([C@H](C)[NH3+])C3)on2)cc1 ZINC000662267251 431023884 /nfs/dbraw/zinc/02/38/84/431023884.db2.gz TUTRMEXGTFXAOJ-JSGCOSHPSA-N 2 1 301.390 2.519 20 0 DFADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000662267155 431024481 /nfs/dbraw/zinc/02/44/81/431024481.db2.gz BXURWICPMOBSNM-LVQVYYBASA-N 2 1 305.491 2.909 20 0 DFADMP CCc1ccc([C@@H]2C[NH2+]CCN2CCCc2c[nH+]cn2C)cc1 ZINC000662271675 431026561 /nfs/dbraw/zinc/02/65/61/431026561.db2.gz IJIOBHANZGLIDI-IBGZPJMESA-N 2 1 312.461 2.562 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC000652350269 431027105 /nfs/dbraw/zinc/02/71/05/431027105.db2.gz OQZTUGMZHNMKLX-MJBXVCDLSA-N 2 1 308.388 2.937 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCCC3CCOCC3)C2)C1 ZINC000652350081 431027626 /nfs/dbraw/zinc/02/76/26/431027626.db2.gz FHGRUKWRBASKNI-OTWHNJEPSA-N 2 1 324.509 2.802 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC000652350267 431028011 /nfs/dbraw/zinc/02/80/11/431028011.db2.gz OQZTUGMZHNMKLX-MCIONIFRSA-N 2 1 308.388 2.937 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CC[C@H]2CCc3ccccc32)CC12CCOCC2 ZINC000662272642 431028551 /nfs/dbraw/zinc/02/85/51/431028551.db2.gz GNLQVJLCDDHAIB-MSOLQXFVSA-N 2 1 314.473 2.794 20 0 DFADMP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354420 431029116 /nfs/dbraw/zinc/02/91/16/431029116.db2.gz XUBHXGNFIKUIDV-XJKSGUPXSA-N 2 1 321.490 2.796 20 0 DFADMP CSc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000652354420 431029119 /nfs/dbraw/zinc/02/91/19/431029119.db2.gz XUBHXGNFIKUIDV-XJKSGUPXSA-N 2 1 321.490 2.796 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652355199 431029556 /nfs/dbraw/zinc/02/95/56/431029556.db2.gz QUCIVOOZCCGHCZ-ZBFHGGJFSA-N 2 1 314.433 2.728 20 0 DFADMP Fc1ccc(OC(F)F)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000662274773 431029704 /nfs/dbraw/zinc/02/97/04/431029704.db2.gz WYOPNRNNZWTANV-TXEJJXNPSA-N 2 1 314.351 2.859 20 0 DFADMP c1ccc(C[C@@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662277145 431030668 /nfs/dbraw/zinc/03/06/68/431030668.db2.gz OOTRCLWNWWSSID-HXUWFJFHSA-N 2 1 322.452 2.776 20 0 DFADMP Cc1ccc(C)c([C@@H]2CCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662277066 431030918 /nfs/dbraw/zinc/03/09/18/431030918.db2.gz DBBGCMSOVIKQJM-AEFFLSMTSA-N 2 1 300.446 2.961 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCCCC2CCOCC2)C1 ZINC000652363535 431032126 /nfs/dbraw/zinc/03/21/26/431032126.db2.gz HEWXYDHXTYJBSZ-CEXWTWQISA-N 2 1 324.509 2.944 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c(C)n1 ZINC000652364146 431032576 /nfs/dbraw/zinc/03/25/76/431032576.db2.gz ZLZVKNQIUIXLLL-KZNAEPCWSA-N 2 1 303.450 2.559 20 0 DFADMP FC(F)(F)[C@H]1CC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280829 431032896 /nfs/dbraw/zinc/03/28/96/431032896.db2.gz GCHXACWCUHRCHL-STQMWFEESA-N 2 1 318.383 2.562 20 0 DFADMP c1c2c(oc1-c1ccccc1)CC[N@H+](C[C@@H]1CCC3(C[NH2+]C3)O1)C2 ZINC000662287280 431035170 /nfs/dbraw/zinc/03/51/70/431035170.db2.gz XPUWENLHIJBJTQ-KRWDZBQOSA-N 2 1 324.424 2.826 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000662388548 431069556 /nfs/dbraw/zinc/06/95/56/431069556.db2.gz OHTPHZVUMXQGDM-MAUKXSAKSA-N 2 1 317.477 2.533 20 0 DFADMP CO[C@H](C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1)C1CCCCC1 ZINC000662285074 431036165 /nfs/dbraw/zinc/03/61/65/431036165.db2.gz WEMNTHOCXBOAEQ-AKHDSKFASA-N 2 1 324.509 2.943 20 0 DFADMP Cc1cccc(C)c1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662294886 431036300 /nfs/dbraw/zinc/03/63/00/431036300.db2.gz GJZVCWAKAODJHR-DLBZAZTESA-N 2 1 300.446 2.961 20 0 DFADMP C(c1nc(C2CCCC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293884 431036356 /nfs/dbraw/zinc/03/63/56/431036356.db2.gz UPXPVFJOJLIOOX-MRXNPFEDSA-N 2 1 318.465 2.939 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293334 431036367 /nfs/dbraw/zinc/03/63/67/431036367.db2.gz QNXBCKBSEHXCEP-IUODEOHRSA-N 2 1 304.438 2.720 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295161 431038374 /nfs/dbraw/zinc/03/83/74/431038374.db2.gz FPHXCVWUAXQAOZ-MRXNPFEDSA-N 2 1 320.481 2.870 20 0 DFADMP C[C@@H](C(=O)NC1CCCCC1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298029 431039006 /nfs/dbraw/zinc/03/90/06/431039006.db2.gz UEGVHVHOXPJIOL-DOTOQJQBSA-N 2 1 321.509 2.535 20 0 DFADMP Fc1cccc([C@H]2COCC[N@@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000662310221 431042517 /nfs/dbraw/zinc/04/25/17/431042517.db2.gz IDBXONHRRPZRHN-GOSISDBHSA-N 2 1 306.425 2.979 20 0 DFADMP Fc1cccc([C@H]2COCC[N@H+]2CCCC2CC[NH2+]CC2)c1 ZINC000662310221 431042519 /nfs/dbraw/zinc/04/25/19/431042519.db2.gz IDBXONHRRPZRHN-GOSISDBHSA-N 2 1 306.425 2.979 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c1 ZINC000662316466 431043520 /nfs/dbraw/zinc/04/35/20/431043520.db2.gz WQTNSZJLFKIODV-RDTXWAMCSA-N 2 1 303.450 2.984 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+] ZINC000662313337 431043681 /nfs/dbraw/zinc/04/36/81/431043681.db2.gz KMJLDNFBCUDSIG-BRWVUGGUSA-N 2 1 309.498 2.617 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000662318885 431046458 /nfs/dbraw/zinc/04/64/58/431046458.db2.gz ACYBBJGFZINXBG-FUHWJXTLSA-N 2 1 306.425 2.856 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+]([C@@H]2CCc3ccc(F)cc32)CCO1 ZINC000662318885 431046461 /nfs/dbraw/zinc/04/64/61/431046461.db2.gz ACYBBJGFZINXBG-FUHWJXTLSA-N 2 1 306.425 2.856 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319214 431048076 /nfs/dbraw/zinc/04/80/76/431048076.db2.gz KSNZAQVHGWFWNS-QGZVFWFLSA-N 2 1 306.450 2.546 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662319214 431048080 /nfs/dbraw/zinc/04/80/80/431048080.db2.gz KSNZAQVHGWFWNS-QGZVFWFLSA-N 2 1 306.450 2.546 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]2C[NH3+])c1 ZINC000649306650 431062956 /nfs/dbraw/zinc/06/29/56/431062956.db2.gz FORJAQQDUYEFIF-ZWKOTPCHSA-N 2 1 317.477 2.518 20 0 DFADMP [NH3+][C@H](CCC(=O)NCC[NH+]1Cc2ccccc2C1)c1ccccc1 ZINC000649306218 431063072 /nfs/dbraw/zinc/06/30/72/431063072.db2.gz GNOMKQNTGBBHDL-LJQANCHMSA-N 2 1 323.440 2.599 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649311337 431063491 /nfs/dbraw/zinc/06/34/91/431063491.db2.gz IWMCCJDODVHXBF-HOTGVXAUSA-N 2 1 309.498 2.617 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])c2C1 ZINC000649313014 431065155 /nfs/dbraw/zinc/06/51/55/431065155.db2.gz XVSKYWGGVBEBIV-HIFRSBDPSA-N 2 1 301.434 2.726 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCC[C@@H]3C[NH3+])c2C1 ZINC000649313014 431065163 /nfs/dbraw/zinc/06/51/63/431065163.db2.gz XVSKYWGGVBEBIV-HIFRSBDPSA-N 2 1 301.434 2.726 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)OCCO2)Cc1cccc2c1CC[NH2+]C2 ZINC000662248521 431013020 /nfs/dbraw/zinc/01/30/20/431013020.db2.gz FANJEVLIKKUISH-UHFFFAOYSA-N 2 1 324.424 2.736 20 0 DFADMP C[N@@H+](CCOc1ccc(F)cc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248952 431013643 /nfs/dbraw/zinc/01/36/43/431013643.db2.gz MKUSVWZPTDQLOG-UHFFFAOYSA-N 2 1 314.404 2.982 20 0 DFADMP COc1cc(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)ccc1O ZINC000662248510 431013708 /nfs/dbraw/zinc/01/37/08/431013708.db2.gz DLORGRKDMHRREX-UHFFFAOYSA-N 2 1 312.413 2.679 20 0 DFADMP C[C@@H]1SCC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)[C@@H]1c1ccccc1 ZINC000662254976 431015164 /nfs/dbraw/zinc/01/51/64/431015164.db2.gz NDDBVYOZPUSBGL-UAGQMJEPSA-N 2 1 318.486 2.686 20 0 DFADMP Cc1ccc(C[C@H]2CCC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256147 431015261 /nfs/dbraw/zinc/01/52/61/431015261.db2.gz HDZAXVIJGNBRJS-MOPGFXCFSA-N 2 1 314.473 2.771 20 0 DFADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662249926 431015397 /nfs/dbraw/zinc/01/53/97/431015397.db2.gz VLICTKVZKJHBQI-QAPCUYQASA-N 2 1 300.446 2.808 20 0 DFADMP c1cc(C[N@H+]2CCCC3(CCOCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662254722 431015470 /nfs/dbraw/zinc/01/54/70/431015470.db2.gz KEIBRUCPQBEYFL-UHFFFAOYSA-N 2 1 300.446 2.725 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H](C)[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662258041 431017710 /nfs/dbraw/zinc/01/77/10/431017710.db2.gz WHKYVLRIFQGJJM-BBWFWOEESA-N 2 1 300.446 2.694 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000662592321 431126253 /nfs/dbraw/zinc/12/62/53/431126253.db2.gz IXOPMAYMTUEEJZ-HNNXBMFYSA-N 2 1 309.498 2.522 20 0 DFADMP CC(C)C[C@@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655756740 431116068 /nfs/dbraw/zinc/11/60/68/431116068.db2.gz XFGQOMDJYAZWRW-FHWLQOOXSA-N 2 1 324.509 2.813 20 0 DFADMP Cc1csc([C@@H](C)C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)n1 ZINC000655754320 431116774 /nfs/dbraw/zinc/11/67/74/431116774.db2.gz UFHUBJZVBFHVGZ-BBRMVZONSA-N 2 1 323.506 2.788 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000645941627 431122799 /nfs/dbraw/zinc/12/27/99/431122799.db2.gz ABWHJTCSFQKHPH-BRWVUGGUSA-N 2 1 318.465 2.653 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc([C@H](C)[NH3+])cc2)C1 ZINC000645942239 431123550 /nfs/dbraw/zinc/12/35/50/431123550.db2.gz ZWEDXUAKLXWHEJ-GUYCJALGSA-N 2 1 312.417 2.689 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)n1 ZINC000645807026 431076959 /nfs/dbraw/zinc/07/69/59/431076959.db2.gz TXKSAWLGJRBTCB-DLBZAZTESA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCC[C@H]3CCOC3)C2)[nH+]1 ZINC000645807026 431076963 /nfs/dbraw/zinc/07/69/63/431076963.db2.gz TXKSAWLGJRBTCB-DLBZAZTESA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCC[C@H]3CCOC3)C2)[nH+]1 ZINC000645807026 431076967 /nfs/dbraw/zinc/07/69/67/431076967.db2.gz TXKSAWLGJRBTCB-DLBZAZTESA-N 2 1 303.450 2.941 20 0 DFADMP CCOCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655688103 431082100 /nfs/dbraw/zinc/08/21/00/431082100.db2.gz KZJABHWLEUIMND-IBGZPJMESA-N 2 1 318.461 2.566 20 0 DFADMP c1ccc(OCCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)cc1 ZINC000655698814 431086997 /nfs/dbraw/zinc/08/69/97/431086997.db2.gz WPGQDGHJELJMDF-IBGZPJMESA-N 2 1 318.461 2.689 20 0 DFADMP Fc1ccc(C2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655695445 431087968 /nfs/dbraw/zinc/08/79/68/431087968.db2.gz XXUZWEIATYDDHC-GOSISDBHSA-N 2 1 318.436 2.700 20 0 DFADMP Clc1ccc(OCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655701058 431090599 /nfs/dbraw/zinc/09/05/99/431090599.db2.gz QDMTXWGUAYFWCT-INIZCTEOSA-N 2 1 324.852 2.562 20 0 DFADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000649413040 431093437 /nfs/dbraw/zinc/09/34/37/431093437.db2.gz JDRWTNMXYFBBHY-KRWDZBQOSA-N 2 1 304.482 2.954 20 0 DFADMP c1ccc2c(c1)CC[C@H]2C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655711823 431094074 /nfs/dbraw/zinc/09/40/74/431094074.db2.gz NLNSMNIKSUCGMO-HKUYNNGSSA-N 2 1 314.473 2.949 20 0 DFADMP CCN1C[C@@H](C[N@@H+](C)CCC2CC[NH2+]CC2)Oc2ccccc21 ZINC000649411342 431094442 /nfs/dbraw/zinc/09/44/42/431094442.db2.gz KHGPHMZDWRCQIG-QGZVFWFLSA-N 2 1 317.477 2.595 20 0 DFADMP CCC[N@@H+](CC)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662486587 431095226 /nfs/dbraw/zinc/09/52/26/431095226.db2.gz MPVKIOORIWDJQQ-KRWDZBQOSA-N 2 1 317.477 2.527 20 0 DFADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655731202 431105299 /nfs/dbraw/zinc/10/52/99/431105299.db2.gz QWZKOJQKLBUMKN-UHOSZYNNSA-N 2 1 324.509 2.671 20 0 DFADMP Cc1ccc(F)c(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655772585 431128788 /nfs/dbraw/zinc/12/87/88/431128788.db2.gz PCKGFPSLVPOZAI-SFHVURJKSA-N 2 1 320.452 2.910 20 0 DFADMP CCOC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCCC1 ZINC000655771044 431129256 /nfs/dbraw/zinc/12/92/56/431129256.db2.gz YHISYOGLECIAQM-QGZVFWFLSA-N 2 1 310.482 2.569 20 0 DFADMP c1ccc2c(c1)SC[C@@H]2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655771370 431130452 /nfs/dbraw/zinc/13/04/52/431130452.db2.gz JEUFEGKKTPKGJJ-GOEBONIOSA-N 2 1 318.486 2.719 20 0 DFADMP CC(C)N1CCCC[C@@H]1C[N@@H+](C)C[C@H]1CCn2ccnc2C1 ZINC000649501353 431127262 /nfs/dbraw/zinc/12/72/62/431127262.db2.gz HHBQOTZUBCEEFS-DLBZAZTESA-N 2 1 304.482 2.640 20 0 DFADMP CC(C)[N@@H+]1CCCC[C@@H]1CN(C)C[C@H]1CCn2ccnc2C1 ZINC000649501353 431127268 /nfs/dbraw/zinc/12/72/68/431127268.db2.gz HHBQOTZUBCEEFS-DLBZAZTESA-N 2 1 304.482 2.640 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1CN(C)C[C@H]1CCn2ccnc2C1 ZINC000649501353 431127273 /nfs/dbraw/zinc/12/72/73/431127273.db2.gz HHBQOTZUBCEEFS-DLBZAZTESA-N 2 1 304.482 2.640 20 0 DFADMP Cc1nc(C)c([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000178070632 279079189 /nfs/dbraw/zinc/07/91/89/279079189.db2.gz ZYFHLIZFJYRLBW-IUODEOHRSA-N 2 1 311.495 2.647 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)CC(F)(F)F ZINC000655776511 431131239 /nfs/dbraw/zinc/13/12/39/431131239.db2.gz MENYLDZQCYZPCI-JSGCOSHPSA-N 2 1 308.388 2.808 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCOC2(CCSCC2)C1 ZINC000358289677 288107298 /nfs/dbraw/zinc/10/72/98/288107298.db2.gz DCEIKWDMZTYNDU-KLHDSHLOSA-N 2 1 312.523 2.750 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N(C)[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000357401503 279140589 /nfs/dbraw/zinc/14/05/89/279140589.db2.gz PTIOYLIDUXGGJZ-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccn1 ZINC000282328244 279192759 /nfs/dbraw/zinc/19/27/59/279192759.db2.gz OAHLHVKHSDOYAY-SFHVURJKSA-N 2 1 318.509 2.784 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000363918570 279247123 /nfs/dbraw/zinc/24/71/23/279247123.db2.gz CZJIQDQEQHCVKD-COXVUDFISA-N 2 1 319.424 2.759 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655792269 431143194 /nfs/dbraw/zinc/14/31/94/431143194.db2.gz YQSORJIBTIPNLE-GUDVDZBRSA-N 2 1 322.493 2.567 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC1CC[NH+](CCC(F)(F)F)CC1 ZINC000353576221 279371573 /nfs/dbraw/zinc/37/15/73/279371573.db2.gz MZIBPFIUFZSWFM-CYBMUJFWSA-N 2 1 309.420 2.722 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662683415 431162949 /nfs/dbraw/zinc/16/29/49/431162949.db2.gz NTFZSPDBUODYPP-IYBDPMFKSA-N 2 1 321.509 2.535 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H](Cc2ccccc2)C1 ZINC000659902776 431181361 /nfs/dbraw/zinc/18/13/61/431181361.db2.gz BUUHOWTXCMHLPN-RTBURBONSA-N 2 1 304.478 2.642 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C[C@@H]1C ZINC000662743834 431182229 /nfs/dbraw/zinc/18/22/29/431182229.db2.gz VMBYEZPQHHFKEV-ZVZYQTTQSA-N 2 1 315.461 2.552 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CCCCO1 ZINC000655847684 431184561 /nfs/dbraw/zinc/18/45/61/431184561.db2.gz YDYHLEWEDJAPMV-SQNIBIBYSA-N 2 1 310.482 2.567 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@H]1CCc3ccccc3C1)CCO2 ZINC000646105738 431187588 /nfs/dbraw/zinc/18/75/88/431187588.db2.gz GAJQBUCRTYMVAB-QGZVFWFLSA-N 2 1 314.473 2.588 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000659920806 431187627 /nfs/dbraw/zinc/18/76/27/431187627.db2.gz QQYWXRLHXBDBAV-NVXWUHKLSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000659920806 431187633 /nfs/dbraw/zinc/18/76/33/431187633.db2.gz QQYWXRLHXBDBAV-NVXWUHKLSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000659920806 431187637 /nfs/dbraw/zinc/18/76/37/431187637.db2.gz QQYWXRLHXBDBAV-NVXWUHKLSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000659920806 431187645 /nfs/dbraw/zinc/18/76/45/431187645.db2.gz QQYWXRLHXBDBAV-NVXWUHKLSA-N 2 1 310.869 2.830 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1)[C@H]1CCOC1 ZINC000659928708 431192261 /nfs/dbraw/zinc/19/22/61/431192261.db2.gz LQMJBNKHUGAXMK-CADBVGFASA-N 2 1 324.509 2.624 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1)[C@H]1CCOC1 ZINC000659928708 431192268 /nfs/dbraw/zinc/19/22/68/431192268.db2.gz LQMJBNKHUGAXMK-CADBVGFASA-N 2 1 324.509 2.624 20 0 DFADMP CO[C@H](C[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[C@H]1CCOC1 ZINC000659928708 431192274 /nfs/dbraw/zinc/19/22/74/431192274.db2.gz LQMJBNKHUGAXMK-CADBVGFASA-N 2 1 324.509 2.624 20 0 DFADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@@H](O)C[NH+](C)C(C)C ZINC000659926877 431193089 /nfs/dbraw/zinc/19/30/89/431193089.db2.gz HBKSCBYEWHZGJY-SFHVURJKSA-N 2 1 310.457 2.781 20 0 DFADMP CCC[NH+](CCc1cccc(F)c1)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659926877 431193097 /nfs/dbraw/zinc/19/30/97/431193097.db2.gz HBKSCBYEWHZGJY-SFHVURJKSA-N 2 1 310.457 2.781 20 0 DFADMP CCC[NH+](CCc1cccc(F)c1)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659926877 431193107 /nfs/dbraw/zinc/19/31/07/431193107.db2.gz HBKSCBYEWHZGJY-SFHVURJKSA-N 2 1 310.457 2.781 20 0 DFADMP Cc1cncc(CC[NH+]2CCC[C@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000649531604 431144857 /nfs/dbraw/zinc/14/48/57/431144857.db2.gz LUZYXZRGULAHBJ-ROUUACIJSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000649531604 431144864 /nfs/dbraw/zinc/14/48/64/431144864.db2.gz LUZYXZRGULAHBJ-ROUUACIJSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[N@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000649531604 431144867 /nfs/dbraw/zinc/14/48/67/431144867.db2.gz LUZYXZRGULAHBJ-ROUUACIJSA-N 2 1 316.493 2.914 20 0 DFADMP Cc1cncc(CC[N@@H+]2CCC[C@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000649531604 431144874 /nfs/dbraw/zinc/14/48/74/431144874.db2.gz LUZYXZRGULAHBJ-ROUUACIJSA-N 2 1 316.493 2.914 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010204 431147422 /nfs/dbraw/zinc/14/74/22/431147422.db2.gz YWAFGHSJRCGAQB-HKUYNNGSSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010204 431147428 /nfs/dbraw/zinc/14/74/28/431147428.db2.gz YWAFGHSJRCGAQB-HKUYNNGSSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010204 431147435 /nfs/dbraw/zinc/14/74/35/431147435.db2.gz YWAFGHSJRCGAQB-HKUYNNGSSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010204 431147443 /nfs/dbraw/zinc/14/74/43/431147443.db2.gz YWAFGHSJRCGAQB-HKUYNNGSSA-N 2 1 320.452 2.678 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC2([NH3+])CCCC2)cc1)C(C)C ZINC000662652964 431150922 /nfs/dbraw/zinc/15/09/22/431150922.db2.gz PUKKHKTWWXNNFP-UHFFFAOYSA-N 2 1 317.477 2.918 20 0 DFADMP CCOc1ccc(CN(C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000659859556 431151202 /nfs/dbraw/zinc/15/12/02/431151202.db2.gz JUAFMYOBRZRZLO-SFHVURJKSA-N 2 1 322.493 2.997 20 0 DFADMP CCOc1ccc(C[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C(C)C)cc1 ZINC000659859556 431151219 /nfs/dbraw/zinc/15/12/19/431151219.db2.gz JUAFMYOBRZRZLO-SFHVURJKSA-N 2 1 322.493 2.997 20 0 DFADMP CCOc1ccc(C[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C(C)C)cc1 ZINC000659859556 431151226 /nfs/dbraw/zinc/15/12/26/431151226.db2.gz JUAFMYOBRZRZLO-SFHVURJKSA-N 2 1 322.493 2.997 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCO[C@H]3CC3(F)F)C2)[nH+]1 ZINC000659944029 431200853 /nfs/dbraw/zinc/20/08/53/431200853.db2.gz PLYUACHRXMAZDA-KGLIPLIRSA-N 2 1 311.376 2.548 20 0 DFADMP COc1cccc(CN(CC(C)C)C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000659860167 431154288 /nfs/dbraw/zinc/15/42/88/431154288.db2.gz WHJVMSULOSKTDI-SFHVURJKSA-N 2 1 322.493 2.854 20 0 DFADMP COc1cccc(C[NH+](CC(C)C)C[C@@H](O)C[N@H+](C)C(C)C)c1 ZINC000659860167 431154306 /nfs/dbraw/zinc/15/43/06/431154306.db2.gz WHJVMSULOSKTDI-SFHVURJKSA-N 2 1 322.493 2.854 20 0 DFADMP COc1cccc(C[NH+](CC(C)C)C[C@@H](O)C[N@@H+](C)C(C)C)c1 ZINC000659860167 431154312 /nfs/dbraw/zinc/15/43/12/431154312.db2.gz WHJVMSULOSKTDI-SFHVURJKSA-N 2 1 322.493 2.854 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667459 431156573 /nfs/dbraw/zinc/15/65/73/431156573.db2.gz BCUVXVHRKFJIJA-JKSUJKDBSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@H]1C[C@@H](N(C)C(=O)CCCC[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000646046042 431158710 /nfs/dbraw/zinc/15/87/10/431158710.db2.gz AKZZPWPNDGQBTM-WMZOPIPTSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@@H]1CN(C[C@@H]2CCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000649622793 431202267 /nfs/dbraw/zinc/20/22/67/431202267.db2.gz UWYKVESXIKDOEZ-HKUYNNGSSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000649622793 431202275 /nfs/dbraw/zinc/20/22/75/431202275.db2.gz UWYKVESXIKDOEZ-HKUYNNGSSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000649622793 431202278 /nfs/dbraw/zinc/20/22/78/431202278.db2.gz UWYKVESXIKDOEZ-HKUYNNGSSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@@H]1CN(C[C@H]2CCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000649622796 431202327 /nfs/dbraw/zinc/20/23/27/431202327.db2.gz UWYKVESXIKDOEZ-PKOBYXMFSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000649622796 431202332 /nfs/dbraw/zinc/20/23/32/431202332.db2.gz UWYKVESXIKDOEZ-PKOBYXMFSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000649622796 431202337 /nfs/dbraw/zinc/20/23/37/431202337.db2.gz UWYKVESXIKDOEZ-PKOBYXMFSA-N 2 1 301.478 2.535 20 0 DFADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC1 ZINC000666353042 431202725 /nfs/dbraw/zinc/20/27/25/431202725.db2.gz QMDLBORNYOGXTC-MOPGFXCFSA-N 2 1 301.478 2.896 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655910572 431213287 /nfs/dbraw/zinc/21/32/87/431213287.db2.gz YQRHNRKBJCATPR-DLBZAZTESA-N 2 1 316.449 2.592 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@H]1CCC[N@H+]2CCCC[C@H]12)c1ccccc1 ZINC000662839006 431215178 /nfs/dbraw/zinc/21/51/78/431215178.db2.gz OJLLCCNOXGWLJZ-FGTMMUONSA-N 2 1 315.461 2.600 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCCN1CC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000659988603 431223714 /nfs/dbraw/zinc/22/37/14/431223714.db2.gz YSWANGYQEMHSBG-NUJGCVRESA-N 2 1 304.482 2.634 20 0 DFADMP CCCN(C(=O)Nc1cccc(C[NH+](C)C)c1)[C@H]1CC[N@@H+](C)C1 ZINC000646213417 431228358 /nfs/dbraw/zinc/22/83/58/431228358.db2.gz QHNATJOFEIXPKT-KRWDZBQOSA-N 2 1 318.465 2.696 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000766 431252951 /nfs/dbraw/zinc/25/29/51/431252951.db2.gz MFUNLKMWUIOKHT-RCCFBDPRSA-N 2 1 321.509 2.522 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000660118796 431278628 /nfs/dbraw/zinc/27/86/28/431278628.db2.gz WYVUVLXXNLUJDP-KBUPBQIOSA-N 2 1 304.425 2.851 20 0 DFADMP C[N@@H+](C[C@@H](O)CN1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794132 431294878 /nfs/dbraw/zinc/29/48/78/431294878.db2.gz AVFFGQMPVDRMKW-QZTJIDSGSA-N 2 1 320.452 2.678 20 0 DFADMP CN(C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794132 431294883 /nfs/dbraw/zinc/29/48/83/431294883.db2.gz AVFFGQMPVDRMKW-QZTJIDSGSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794132 431294893 /nfs/dbraw/zinc/29/48/93/431294893.db2.gz AVFFGQMPVDRMKW-QZTJIDSGSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794132 431294897 /nfs/dbraw/zinc/29/48/97/431294897.db2.gz AVFFGQMPVDRMKW-QZTJIDSGSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794132 431294903 /nfs/dbraw/zinc/29/49/03/431294903.db2.gz AVFFGQMPVDRMKW-QZTJIDSGSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F)C1CC1 ZINC000649794132 431294908 /nfs/dbraw/zinc/29/49/08/431294908.db2.gz AVFFGQMPVDRMKW-QZTJIDSGSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN[C@H](C[NH3+])C(F)(F)F ZINC000656196413 431303089 /nfs/dbraw/zinc/30/30/89/431303089.db2.gz RYDUBYMJUKHXFH-CQSZACIVSA-N 2 1 317.399 2.624 20 0 DFADMP CCCCC[N@@H+](CCNC(=O)C1([NH3+])CCC1)Cc1ccccc1 ZINC000653200816 431307266 /nfs/dbraw/zinc/30/72/66/431307266.db2.gz QYPSITROJFFMGZ-UHFFFAOYSA-N 2 1 317.477 2.676 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCCC2(C[NH3+])CC2)cc1 ZINC000653221141 431318293 /nfs/dbraw/zinc/31/82/93/431318293.db2.gz JXFMYNCORRUDBA-UHFFFAOYSA-N 2 1 317.477 2.777 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCN(c3ccccc3F)C[C@H]2C)CC[NH2+]1 ZINC000666699154 431328333 /nfs/dbraw/zinc/32/83/33/431328333.db2.gz XJFYLDRQGAYARJ-BZUAXINKSA-N 2 1 305.441 2.724 20 0 DFADMP CC(C)[C@@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666741073 431341397 /nfs/dbraw/zinc/34/13/97/431341397.db2.gz CQUFMODHJYKCQI-HNNXBMFYSA-N 2 1 312.417 2.906 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)C2)c1 ZINC000660248522 431341600 /nfs/dbraw/zinc/34/16/00/431341600.db2.gz ICVIAKFXBGLQFE-HKUYNNGSSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)C2)c1 ZINC000660248522 431341606 /nfs/dbraw/zinc/34/16/06/431341606.db2.gz ICVIAKFXBGLQFE-HKUYNNGSSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660248522 431341613 /nfs/dbraw/zinc/34/16/13/431341613.db2.gz ICVIAKFXBGLQFE-HKUYNNGSSA-N 2 1 304.478 2.794 20 0 DFADMP Cc1cc(C)cc([C@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C(C)C)C2)c1 ZINC000660248522 431341618 /nfs/dbraw/zinc/34/16/18/431341618.db2.gz ICVIAKFXBGLQFE-HKUYNNGSSA-N 2 1 304.478 2.794 20 0 DFADMP FC1(F)C[C@@]12CC[NH+](CCC[N@@H+]1CC[C@@]3(CC3(F)F)C1)C2 ZINC000649907176 431362347 /nfs/dbraw/zinc/36/23/47/431362347.db2.gz KQOSQEDPMICMGC-CHWSQXEVSA-N 2 1 306.347 2.839 20 0 DFADMP FC1(F)C[C@]12CC[N@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000649908142 431366041 /nfs/dbraw/zinc/36/60/41/431366041.db2.gz IBTLMZYUGUPZFK-KRWDZBQOSA-N 2 1 322.399 2.750 20 0 DFADMP FC1(F)C[C@]12CC[N@@H+](Cc1ccc(C[NH+]3CCOCC3)cc1)C2 ZINC000649908142 431366047 /nfs/dbraw/zinc/36/60/47/431366047.db2.gz IBTLMZYUGUPZFK-KRWDZBQOSA-N 2 1 322.399 2.750 20 0 DFADMP CO[C@H](C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000660419658 431421480 /nfs/dbraw/zinc/42/14/80/431421480.db2.gz KQAWBCHIQPKVFP-NVXWUHKLSA-N 2 1 305.466 2.973 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1)C1CCCCC1 ZINC000660419658 431421487 /nfs/dbraw/zinc/42/14/87/431421487.db2.gz KQAWBCHIQPKVFP-NVXWUHKLSA-N 2 1 305.466 2.973 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc(OC)c1 ZINC000663347038 431378104 /nfs/dbraw/zinc/37/81/04/431378104.db2.gz GIUIUGBLVKOZGW-INIZCTEOSA-N 2 1 318.461 2.915 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc2ncsc2c1 ZINC000660322455 431378732 /nfs/dbraw/zinc/37/87/32/431378732.db2.gz LGQCUFPPDPFQQN-JSGCOSHPSA-N 2 1 307.463 2.648 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)CN[C@H](C)c1ccc2ncsc2c1 ZINC000660322456 431379278 /nfs/dbraw/zinc/37/92/78/431379278.db2.gz LGQCUFPPDPFQQN-OCCSQVGLSA-N 2 1 307.463 2.648 20 0 DFADMP C[C@@H](c1nccc(N)n1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000653493315 431401350 /nfs/dbraw/zinc/40/13/50/431401350.db2.gz SBYJHAZUJXGNPZ-HNNXBMFYSA-N 2 1 317.481 2.538 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C3CC4(CCC4)C3)C2)nc(C)[nH+]1 ZINC000656497121 431410472 /nfs/dbraw/zinc/41/04/72/431410472.db2.gz NPLDPHYIBFXSSN-HNNXBMFYSA-N 2 1 300.450 2.985 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CCC(C)([NH3+])CC2)cc1 ZINC000646993032 431438626 /nfs/dbraw/zinc/43/86/26/431438626.db2.gz FCKAEKKGGUSUJO-UHFFFAOYSA-N 2 1 317.477 2.872 20 0 DFADMP CC[C@@H]1CN(C(=O)[C@@H](c2cccc(Cl)c2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000647012113 431446069 /nfs/dbraw/zinc/44/60/69/431446069.db2.gz OFLAEAYXPAHCFW-DAXOMENPSA-N 2 1 323.868 2.529 20 0 DFADMP COCC[NH2+]C1CCN(c2cc(C(F)(F)F)cc(C)[nH+]2)CC1 ZINC000656607201 431446806 /nfs/dbraw/zinc/44/68/06/431446806.db2.gz GBANFKSKIUOSNN-UHFFFAOYSA-N 2 1 317.355 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](CCC(C)(C)C2CC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000653594329 431451726 /nfs/dbraw/zinc/45/17/26/431451726.db2.gz MRARASAGNZFSGK-SJLPKXTDSA-N 2 1 307.526 2.771 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000653622571 431464875 /nfs/dbraw/zinc/46/48/75/431464875.db2.gz JKLMGQWSIZTEQT-IBGZPJMESA-N 2 1 311.429 2.874 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@]2(C1)OCc1ccccc12 ZINC000653622571 431464882 /nfs/dbraw/zinc/46/48/82/431464882.db2.gz JKLMGQWSIZTEQT-IBGZPJMESA-N 2 1 311.429 2.874 20 0 DFADMP FCCOCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000663463283 431427882 /nfs/dbraw/zinc/42/78/82/431427882.db2.gz ZDCLKNHOVDOBIA-NNZMDNLPSA-N 2 1 306.425 2.758 20 0 DFADMP c1cc2cnccc2c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000666978483 431431171 /nfs/dbraw/zinc/43/11/71/431431171.db2.gz GJNKIXDHVFDLPT-UHFFFAOYSA-N 2 1 324.472 2.541 20 0 DFADMP COc1cccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663468773 431434660 /nfs/dbraw/zinc/43/46/60/431434660.db2.gz MRWNXFAIERBOCK-NVXWUHKLSA-N 2 1 317.477 2.733 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCCc2cncn2C)C1 ZINC000653556726 431434975 /nfs/dbraw/zinc/43/49/75/431434975.db2.gz FVYUIDIYCPLMCO-MSOLQXFVSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCCc2cncn2C)C1 ZINC000653556726 431434982 /nfs/dbraw/zinc/43/49/82/431434982.db2.gz FVYUIDIYCPLMCO-MSOLQXFVSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000653556726 431434989 /nfs/dbraw/zinc/43/49/89/431434989.db2.gz FVYUIDIYCPLMCO-MSOLQXFVSA-N 2 1 318.509 2.939 20 0 DFADMP CCc1ccc([C@H]2CC[N@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660623493 431519204 /nfs/dbraw/zinc/51/92/04/431519204.db2.gz NSLWETRGKQWHCG-RBUKOAKNSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@H]2CC[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C2)cc1 ZINC000660623493 431519207 /nfs/dbraw/zinc/51/92/07/431519207.db2.gz NSLWETRGKQWHCG-RBUKOAKNSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)C2)cc1 ZINC000660623493 431519211 /nfs/dbraw/zinc/51/92/11/431519211.db2.gz NSLWETRGKQWHCG-RBUKOAKNSA-N 2 1 304.478 2.739 20 0 DFADMP CCc1ccc([C@H]2CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)C2)cc1 ZINC000660623493 431519214 /nfs/dbraw/zinc/51/92/14/431519214.db2.gz NSLWETRGKQWHCG-RBUKOAKNSA-N 2 1 304.478 2.739 20 0 DFADMP Cn1cnc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000660622958 431520330 /nfs/dbraw/zinc/52/03/30/431520330.db2.gz JSBRQOAYXUUIHC-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C(C)(C)C)n1 ZINC000656784141 431520442 /nfs/dbraw/zinc/52/04/42/431520442.db2.gz YXMSLGZMVXSAJK-MRXNPFEDSA-N 2 1 318.509 2.929 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCO2 ZINC000656786401 431521635 /nfs/dbraw/zinc/52/16/35/431521635.db2.gz SDJOZHLTXQMEEF-MRXNPFEDSA-N 2 1 316.445 2.669 20 0 DFADMP Cn1c[nH+]cc1CCC[NH+]1CCC2(CC1)C(F)(F)C2(F)F ZINC000653778322 431523679 /nfs/dbraw/zinc/52/36/79/431523679.db2.gz UONKQBCEPNLWBR-UHFFFAOYSA-N 2 1 305.319 2.719 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000660651873 431530931 /nfs/dbraw/zinc/53/09/31/431530931.db2.gz DMMNKMPMLGFMKS-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000660651873 431530936 /nfs/dbraw/zinc/53/09/36/431530936.db2.gz DMMNKMPMLGFMKS-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccc(-n3cccn3)cc1)C2 ZINC000660651873 431530941 /nfs/dbraw/zinc/53/09/41/431530941.db2.gz DMMNKMPMLGFMKS-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CO1 ZINC000647253219 431531356 /nfs/dbraw/zinc/53/13/56/431531356.db2.gz YHSLKTNPKNLLIV-RDTXWAMCSA-N 2 1 306.425 2.600 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700350 431486308 /nfs/dbraw/zinc/48/63/08/431486308.db2.gz HRHLOXAZFZAGOT-QZTJIDSGSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700350 431486311 /nfs/dbraw/zinc/48/63/11/431486311.db2.gz HRHLOXAZFZAGOT-QZTJIDSGSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700350 431486313 /nfs/dbraw/zinc/48/63/13/431486313.db2.gz HRHLOXAZFZAGOT-QZTJIDSGSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccc(F)cc1 ZINC000656700350 431486315 /nfs/dbraw/zinc/48/63/15/431486315.db2.gz HRHLOXAZFZAGOT-QZTJIDSGSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)Cn1nccc1C[NH2+]CCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000647171250 431491702 /nfs/dbraw/zinc/49/17/02/431491702.db2.gz DDWAPBPACBIJGT-IAGOWNOFSA-N 2 1 306.498 2.997 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CCOCC3)CC23CC3)cc1 ZINC000647173098 431493358 /nfs/dbraw/zinc/49/33/58/431493358.db2.gz WCNPNGQOWNNFRO-SFHVURJKSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CCOCC3)CC23CC3)cc1 ZINC000647173098 431493365 /nfs/dbraw/zinc/49/33/65/431493365.db2.gz WCNPNGQOWNNFRO-SFHVURJKSA-N 2 1 300.446 2.952 20 0 DFADMP CC[N@@H+]1C[C@H](Nc2nc(C)nc(C)c2Br)[C@@H](C)C1 ZINC000663707015 431507967 /nfs/dbraw/zinc/50/79/67/431507967.db2.gz IDQJMJKZEFWPGH-KWQFWETISA-N 2 1 313.243 2.608 20 0 DFADMP CCN1C[C@H](Nc2nc(C)nc(C)c2Br)[C@@H](C)C1 ZINC000663707015 431507976 /nfs/dbraw/zinc/50/79/76/431507976.db2.gz IDQJMJKZEFWPGH-KWQFWETISA-N 2 1 313.243 2.608 20 0 DFADMP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647205667 431511753 /nfs/dbraw/zinc/51/17/53/431511753.db2.gz LPQJSWSJVRWIRS-GUDVDZBRSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H]1CC[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647205667 431511760 /nfs/dbraw/zinc/51/17/60/431511760.db2.gz LPQJSWSJVRWIRS-GUDVDZBRSA-N 2 1 314.473 2.934 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@]1(C)CCCO1 ZINC000647344619 431557856 /nfs/dbraw/zinc/55/78/56/431557856.db2.gz VRFJCWHHHXYBSN-NQYYFHDYSA-N 2 1 302.462 2.879 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCN1CCCc3ccccc31)C2 ZINC000660660566 431534300 /nfs/dbraw/zinc/53/43/00/431534300.db2.gz ZHIYJMNIVNDZMF-FQEVSTJZSA-N 2 1 313.489 2.857 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCN1CCCc3ccccc31)C2 ZINC000660660566 431534307 /nfs/dbraw/zinc/53/43/07/431534307.db2.gz ZHIYJMNIVNDZMF-FQEVSTJZSA-N 2 1 313.489 2.857 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCN1CCCc3ccccc31)C2 ZINC000660660566 431534314 /nfs/dbraw/zinc/53/43/14/431534314.db2.gz ZHIYJMNIVNDZMF-FQEVSTJZSA-N 2 1 313.489 2.857 20 0 DFADMP C[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665889 431538522 /nfs/dbraw/zinc/53/85/22/431538522.db2.gz YVRANEMKSALUQC-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665889 431538527 /nfs/dbraw/zinc/53/85/27/431538527.db2.gz YVRANEMKSALUQC-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665889 431538531 /nfs/dbraw/zinc/53/85/31/431538531.db2.gz YVRANEMKSALUQC-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1cccc(-n3cccn3)c1)C2 ZINC000660665889 431538534 /nfs/dbraw/zinc/53/85/34/431538534.db2.gz YVRANEMKSALUQC-IBGZPJMESA-N 2 1 310.445 2.790 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)c1cc2n(n1)CCCC2 ZINC000647287672 431540051 /nfs/dbraw/zinc/54/00/51/431540051.db2.gz PIUVTPLIVQJGDW-KGLIPLIRSA-N 2 1 301.438 2.711 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@@H](C)c2ccccc2)CC1 ZINC000660694396 431552125 /nfs/dbraw/zinc/55/21/25/431552125.db2.gz CFVPSRBYCVFHAF-QGZVFWFLSA-N 2 1 304.478 2.863 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000660696181 431552811 /nfs/dbraw/zinc/55/28/11/431552811.db2.gz OMFGYMAGBGYKJQ-UHFFFAOYSA-N 2 1 318.452 2.884 20 0 DFADMP C[C@]1(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)OCCc2sccc21 ZINC000353610153 280159637 /nfs/dbraw/zinc/15/96/37/280159637.db2.gz LSLZVTWURPMWBN-GRDNDAEWSA-N 2 1 306.475 2.752 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCC1 ZINC000354736544 280177881 /nfs/dbraw/zinc/17/78/81/280177881.db2.gz SOHVPCPWOQZONQ-FGTMMUONSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1c(C[N@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC000377338417 280226015 /nfs/dbraw/zinc/22/60/15/280226015.db2.gz XKNZMTRHQVLVOH-UYAOXDASSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC000377338417 280226019 /nfs/dbraw/zinc/22/60/19/280226019.db2.gz XKNZMTRHQVLVOH-UYAOXDASSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC000377338417 280226020 /nfs/dbraw/zinc/22/60/20/280226020.db2.gz XKNZMTRHQVLVOH-UYAOXDASSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[NH+]2C[C@H]3C[N@H+](Cc4ccccc4)CC[C@@H]3C2)cnn1C ZINC000377338417 280226022 /nfs/dbraw/zinc/22/60/22/280226022.db2.gz XKNZMTRHQVLVOH-UYAOXDASSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c[nH+]ccc1NCCC[N@@H+]1CCN(C)C[C@H]1c1ccccc1 ZINC000359440802 280281535 /nfs/dbraw/zinc/28/15/35/280281535.db2.gz SDSQQDXSLQZDLZ-FQEVSTJZSA-N 2 1 324.472 2.603 20 0 DFADMP Cc1c[nH+]ccc1NCCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000359440802 280281537 /nfs/dbraw/zinc/28/15/37/280281537.db2.gz SDSQQDXSLQZDLZ-FQEVSTJZSA-N 2 1 324.472 2.603 20 0 DFADMP Cc1c[nH+]ccc1NCCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000359440802 280281539 /nfs/dbraw/zinc/28/15/39/280281539.db2.gz SDSQQDXSLQZDLZ-FQEVSTJZSA-N 2 1 324.472 2.603 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000647480199 431601705 /nfs/dbraw/zinc/60/17/05/431601705.db2.gz GSRGHAZNQSMKGG-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP c1cc(CCC[N@@H+](C2CC2)C2CC[NH2+]CC2)cc2c1OCC2 ZINC000647482625 431601729 /nfs/dbraw/zinc/60/17/29/431601729.db2.gz UTOWCGOYWGQYSE-UHFFFAOYSA-N 2 1 300.446 2.771 20 0 DFADMP CC[C@@H](C)Oc1cc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000647493830 431605021 /nfs/dbraw/zinc/60/50/21/431605021.db2.gz ZCDGUAZYSFDZCY-GDBMZVCRSA-N 2 1 306.450 2.914 20 0 DFADMP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@H](C[NH2+]C)C2)ccc1OC ZINC000647493830 431605027 /nfs/dbraw/zinc/60/50/27/431605027.db2.gz ZCDGUAZYSFDZCY-GDBMZVCRSA-N 2 1 306.450 2.914 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480398 431602973 /nfs/dbraw/zinc/60/29/73/431602973.db2.gz MHLGPUUYTQLCRR-NVXWUHKLSA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480398 431602978 /nfs/dbraw/zinc/60/29/78/431602978.db2.gz MHLGPUUYTQLCRR-NVXWUHKLSA-N 2 1 301.434 2.609 20 0 DFADMP Cn1cc(C[NH+]2CCC([NH3+])CC2)c(-c2cc3ccccc3o2)n1 ZINC000647481759 431603778 /nfs/dbraw/zinc/60/37/78/431603778.db2.gz ADJSFEKXROXYCI-UHFFFAOYSA-N 2 1 310.401 2.756 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000650705674 431652725 /nfs/dbraw/zinc/65/27/25/431652725.db2.gz QFTJBRXEIAMZNT-PBFPGSCMSA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)C1 ZINC000650706572 431653552 /nfs/dbraw/zinc/65/35/52/431653552.db2.gz NPGSOTCCIONIQN-JBRQLDPCSA-N 2 1 300.446 2.918 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3c(F)cccc3F)C2)C1 ZINC000650705673 431653717 /nfs/dbraw/zinc/65/37/17/431653717.db2.gz QFTJBRXEIAMZNT-OGHNNQOOSA-N 2 1 310.388 2.683 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650706419 431653859 /nfs/dbraw/zinc/65/38/59/431653859.db2.gz JXZFKOHXNWXECM-RLFYNMQTSA-N 2 1 322.424 2.553 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705914 431654629 /nfs/dbraw/zinc/65/46/29/431654629.db2.gz AFCZMQXJBMPISU-CGTJXYLNSA-N 2 1 306.425 2.852 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccc(OCC(F)F)cc1)C2 ZINC000650709151 431655764 /nfs/dbraw/zinc/65/57/64/431655764.db2.gz GFNKTOMFGVQPDP-YOEHRIQHSA-N 2 1 310.388 2.891 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1cnc(-c3ccccc3)nc1)C2 ZINC000650708704 431656949 /nfs/dbraw/zinc/65/69/49/431656949.db2.gz JMURBSOYBQIAPM-HKUYNNGSSA-N 2 1 308.429 2.704 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)ccc1C ZINC000650708341 431657141 /nfs/dbraw/zinc/65/71/41/431657141.db2.gz YDTRSSAEQWCDCZ-SCTDSRPQSA-N 2 1 318.461 2.722 20 0 DFADMP CCOCc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1OC ZINC000650709286 431657461 /nfs/dbraw/zinc/65/74/61/431657461.db2.gz OXZUPDWMMBWMRC-HKUYNNGSSA-N 2 1 318.461 2.793 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1CC[NH3+] ZINC000650711110 431658028 /nfs/dbraw/zinc/65/80/28/431658028.db2.gz ITZVOTVNMQJBSG-CZUORRHYSA-N 2 1 304.463 2.883 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647490835 431605566 /nfs/dbraw/zinc/60/55/66/431605566.db2.gz UCYPIGYLTZKJHB-ZDUSSCGKSA-N 2 1 310.401 2.614 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cnc3c(cnn3C(C)C)c2)CC[C@H]1[NH3+] ZINC000647498232 431607457 /nfs/dbraw/zinc/60/74/57/431607457.db2.gz CYVAXAGEFAEXKB-GOEBONIOSA-N 2 1 301.438 2.571 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)CC[C@H]1[NH3+] ZINC000647498232 431607463 /nfs/dbraw/zinc/60/74/63/431607463.db2.gz CYVAXAGEFAEXKB-GOEBONIOSA-N 2 1 301.438 2.571 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000647513945 431610979 /nfs/dbraw/zinc/61/09/79/431610979.db2.gz WMYBFDPYPFCBGE-GOSISDBHSA-N 2 1 301.478 2.502 20 0 DFADMP C[C@H]1CCN(Cc2ccccc2)CC[N@H+]1CC1CC[NH2+]CC1 ZINC000647515605 431611596 /nfs/dbraw/zinc/61/15/96/431611596.db2.gz PVYGOJUCOFZZDE-KRWDZBQOSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1cn2c(C[NH2+]CC[C@@H]3CCC[N@H+](C)C3)c(C)nc2s1 ZINC000657189391 431622535 /nfs/dbraw/zinc/62/25/35/431622535.db2.gz PPIBCPOAGHPFBL-AWEZNQCLSA-N 2 1 306.479 2.834 20 0 DFADMP Cc1ccc2ncc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2c1 ZINC000647543325 431624579 /nfs/dbraw/zinc/62/45/79/431624579.db2.gz LALCVKDDOLLADN-DLBZAZTESA-N 2 1 312.461 2.854 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543292 431624684 /nfs/dbraw/zinc/62/46/84/431624684.db2.gz KPOUWPKPFTVTSQ-SJORKVTESA-N 2 1 301.478 2.964 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc2c1OCC2 ZINC000647544095 431625661 /nfs/dbraw/zinc/62/56/61/431625661.db2.gz WRCHNEYOCHDKNX-ROUUACIJSA-N 2 1 300.446 2.833 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542868 431626233 /nfs/dbraw/zinc/62/62/33/431626233.db2.gz DCDPQQBORFXGNT-JKSUJKDBSA-N 2 1 303.450 2.610 20 0 DFADMP C[C@@H](Cc1ccccc1Br)[NH2+][C@@H]1C[NH2+]C[C@@H](C)C1 ZINC000647548803 431627708 /nfs/dbraw/zinc/62/77/08/431627708.db2.gz VEEIGIZUYOEPIT-OBJOEFQTSA-N 2 1 311.267 2.968 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000660900484 431649188 /nfs/dbraw/zinc/64/91/88/431649188.db2.gz QOSIIYQVMHEPCW-MJGOQNOKSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000660900484 431649193 /nfs/dbraw/zinc/64/91/93/431649193.db2.gz QOSIIYQVMHEPCW-MJGOQNOKSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000660900484 431649198 /nfs/dbraw/zinc/64/91/98/431649198.db2.gz QOSIIYQVMHEPCW-MJGOQNOKSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F ZINC000660900484 431649203 /nfs/dbraw/zinc/64/92/03/431649203.db2.gz QOSIIYQVMHEPCW-MJGOQNOKSA-N 2 1 322.468 2.924 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000657308467 431664640 /nfs/dbraw/zinc/66/46/40/431664640.db2.gz ZRQSEFGLEIGFNT-DOTOQJQBSA-N 2 1 318.461 2.674 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2csc(C3CC3)n2)C1 ZINC000650722901 431665910 /nfs/dbraw/zinc/66/59/10/431665910.db2.gz DIPOYHOTCCMGLT-BMFZPTHFSA-N 2 1 321.490 2.881 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2csc(C3CC3)n2)C1 ZINC000650722901 431665920 /nfs/dbraw/zinc/66/59/20/431665920.db2.gz DIPOYHOTCCMGLT-BMFZPTHFSA-N 2 1 321.490 2.881 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CO1 ZINC000657309701 431667258 /nfs/dbraw/zinc/66/72/58/431667258.db2.gz QMLZFIVTOKTIHR-RTBURBONSA-N 2 1 302.462 2.851 20 0 DFADMP Cc1c(Br)cncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000657312982 431668483 /nfs/dbraw/zinc/66/84/83/431668483.db2.gz DYMYJLWGYFPCOU-ZIAGYGMSSA-N 2 1 324.266 2.869 20 0 DFADMP Cc1c(Br)cncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657312982 431668492 /nfs/dbraw/zinc/66/84/92/431668492.db2.gz DYMYJLWGYFPCOU-ZIAGYGMSSA-N 2 1 324.266 2.869 20 0 DFADMP Cc1c(Br)cncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000657312978 431670289 /nfs/dbraw/zinc/67/02/89/431670289.db2.gz DYMYJLWGYFPCOU-KGLIPLIRSA-N 2 1 324.266 2.869 20 0 DFADMP Cc1c(Br)cncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657312978 431670293 /nfs/dbraw/zinc/67/02/93/431670293.db2.gz DYMYJLWGYFPCOU-KGLIPLIRSA-N 2 1 324.266 2.869 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCC[NH2+]Cc2cn(C3CCC3)nn2)C1 ZINC000657312995 431670881 /nfs/dbraw/zinc/67/08/81/431670881.db2.gz OPYNNGHSBCLHJH-IYBDPMFKSA-N 2 1 319.497 2.851 20 0 DFADMP [NH3+]CC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000650745311 431677778 /nfs/dbraw/zinc/67/77/78/431677778.db2.gz DFPINLQWZWHAKV-LDLYASANSA-N 3 1 313.489 2.901 20 0 DFADMP [NH3+]CC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000650745311 431677786 /nfs/dbraw/zinc/67/77/86/431677786.db2.gz DFPINLQWZWHAKV-LDLYASANSA-N 2 1 313.489 2.901 20 0 DFADMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650746098 431677813 /nfs/dbraw/zinc/67/78/13/431677813.db2.gz VZVKYJPWFXFRJX-WMZOPIPTSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@H]([NH2+]CCC1(C[NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000650746098 431677819 /nfs/dbraw/zinc/67/78/19/431677819.db2.gz VZVKYJPWFXFRJX-WMZOPIPTSA-N 2 1 301.478 2.616 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790436 431686974 /nfs/dbraw/zinc/68/69/74/431686974.db2.gz YJLHCICFNYIJHI-VSZNYVQBSA-N 3 1 307.526 2.865 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790436 431686982 /nfs/dbraw/zinc/68/69/82/431686982.db2.gz YJLHCICFNYIJHI-VSZNYVQBSA-N 3 1 307.526 2.865 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657344118 431688934 /nfs/dbraw/zinc/68/89/34/431688934.db2.gz ZXSIQHALQWYFFK-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1CC ZINC000657344118 431688939 /nfs/dbraw/zinc/68/89/39/431688939.db2.gz ZXSIQHALQWYFFK-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ncc(C(F)(F)F)s1 ZINC000664194536 431690930 /nfs/dbraw/zinc/69/09/30/431690930.db2.gz GAKGSEUBGAIOQT-JTQLQIEISA-N 2 1 324.416 2.846 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ncc(C(F)(F)F)s1 ZINC000664194536 431690935 /nfs/dbraw/zinc/69/09/35/431690935.db2.gz GAKGSEUBGAIOQT-JTQLQIEISA-N 2 1 324.416 2.846 20 0 DFADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000647796934 431691102 /nfs/dbraw/zinc/69/11/02/431691102.db2.gz RJJCIYLMFSQWDU-DODZYUBVSA-N 3 1 305.510 2.761 20 0 DFADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN1C1CCCCC1 ZINC000647796934 431691107 /nfs/dbraw/zinc/69/11/07/431691107.db2.gz RJJCIYLMFSQWDU-DODZYUBVSA-N 2 1 305.510 2.761 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+]C2CCC(C3CCC3)CC2)C1 ZINC000657349399 431693363 /nfs/dbraw/zinc/69/33/63/431693363.db2.gz FSRFWLNCNLOETH-ADKAHSJRSA-N 2 1 321.509 2.522 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000647802302 431693791 /nfs/dbraw/zinc/69/37/91/431693791.db2.gz IJKOOHSPRMQCBH-CYBMUJFWSA-N 2 1 312.417 2.681 20 0 DFADMP O=C(CC[N@@H+](C1CC1)C1CC[NH2+]CC1)Nc1cc(F)cc(F)c1 ZINC000647815147 431696965 /nfs/dbraw/zinc/69/69/65/431696965.db2.gz QZXAXAORHSXPGN-UHFFFAOYSA-N 2 1 323.387 2.510 20 0 DFADMP C[C@@H]1C[N@@H+](C(C)(C)CNc2[nH+]ccc3[nH]ccc32)C[C@H](C)O1 ZINC000647852958 431709328 /nfs/dbraw/zinc/70/93/28/431709328.db2.gz YRHQSOICMSCBTB-BETUJISGSA-N 2 1 302.422 2.863 20 0 DFADMP CCCC[N@H+](C)CC1CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000647858475 431711817 /nfs/dbraw/zinc/71/18/17/431711817.db2.gz USMALVYJNNZKBT-UHFFFAOYSA-N 2 1 305.466 2.831 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000647858475 431711819 /nfs/dbraw/zinc/71/18/19/431711819.db2.gz USMALVYJNNZKBT-UHFFFAOYSA-N 2 1 305.466 2.831 20 0 DFADMP C[NH+](C)Cc1cccc(NC(=O)NC[C@H]2CC[N@H+]2C(C)(C)C)c1 ZINC000664291617 431725242 /nfs/dbraw/zinc/72/52/42/431725242.db2.gz KXYPXBJCXDFBNE-MRXNPFEDSA-N 2 1 318.465 2.743 20 0 DFADMP CCCCOCC[N@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000647913544 431725848 /nfs/dbraw/zinc/72/58/48/431725848.db2.gz PHHISPKZNTWAKJ-SFHVURJKSA-N 2 1 305.466 2.842 20 0 DFADMP CCCCOCC[N@@H+](Cc1ccccn1)[C@H]1CCC[NH2+]CC1 ZINC000647913544 431725852 /nfs/dbraw/zinc/72/58/52/431725852.db2.gz PHHISPKZNTWAKJ-SFHVURJKSA-N 2 1 305.466 2.842 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661090939 431726551 /nfs/dbraw/zinc/72/65/51/431726551.db2.gz IKXJBQHJEBQWIV-GOSISDBHSA-N 2 1 301.434 2.507 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H](CO)Cc1ccccc1 ZINC000661090939 431726561 /nfs/dbraw/zinc/72/65/61/431726561.db2.gz IKXJBQHJEBQWIV-GOSISDBHSA-N 2 1 301.434 2.507 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CC1 ZINC000647912755 431726577 /nfs/dbraw/zinc/72/65/77/431726577.db2.gz YWKZBMPTBZNJDJ-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@](C)(C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912755 431726582 /nfs/dbraw/zinc/72/65/82/431726582.db2.gz YWKZBMPTBZNJDJ-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912755 431726591 /nfs/dbraw/zinc/72/65/91/431726591.db2.gz YWKZBMPTBZNJDJ-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@](C)(C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912755 431726593 /nfs/dbraw/zinc/72/65/93/431726593.db2.gz YWKZBMPTBZNJDJ-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@](C)(C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CC1 ZINC000647912755 431726603 /nfs/dbraw/zinc/72/66/03/431726603.db2.gz YWKZBMPTBZNJDJ-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CC[N@@H+](CCOCc1ccc(OC)cc1)[C@@H]1CCC[NH2+]CC1 ZINC000647913345 431726810 /nfs/dbraw/zinc/72/68/10/431726810.db2.gz ZWZYLEKILNSBQV-QGZVFWFLSA-N 2 1 306.450 2.676 20 0 DFADMP CC1([NH3+])CC[NH+](CCOc2ccc(Br)cc2)CC1 ZINC000647926567 431731686 /nfs/dbraw/zinc/73/16/86/431731686.db2.gz FTECRXBOALYURE-UHFFFAOYSA-N 2 1 313.239 2.641 20 0 DFADMP CC[C@@H](C)[N@@H+](CC)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000661103127 431731700 /nfs/dbraw/zinc/73/17/00/431731700.db2.gz DUENINGGLUCXQU-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP CCc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)cc1 ZINC000664314424 431733602 /nfs/dbraw/zinc/73/36/02/431733602.db2.gz KMMWLTGKXXDFJR-HNNXBMFYSA-N 2 1 320.481 2.643 20 0 DFADMP CCc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)cc1 ZINC000664314424 431733609 /nfs/dbraw/zinc/73/36/09/431733609.db2.gz KMMWLTGKXXDFJR-HNNXBMFYSA-N 2 1 320.481 2.643 20 0 DFADMP CC[C@H]1C[N@@H+](CCOc2ccc(Cl)c(F)c2)CC[C@H]1[NH3+] ZINC000647934956 431736832 /nfs/dbraw/zinc/73/68/32/431736832.db2.gz VLMRTMDBRPJQAR-XHDPSFHLSA-N 2 1 300.805 2.917 20 0 DFADMP CC(C)(CO)[C@H]([NH2+]CCC[NH+]1CCCCC1)c1cccnc1 ZINC000647953263 431747163 /nfs/dbraw/zinc/74/71/63/431747163.db2.gz ZUSIOHQRRMYOQL-QGZVFWFLSA-N 2 1 305.466 2.607 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1 ZINC000647962295 431752008 /nfs/dbraw/zinc/75/20/08/431752008.db2.gz XROWLURYSNAWBJ-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000647962295 431752014 /nfs/dbraw/zinc/75/20/14/431752014.db2.gz XROWLURYSNAWBJ-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000647962295 431752019 /nfs/dbraw/zinc/75/20/19/431752019.db2.gz XROWLURYSNAWBJ-RTBURBONSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@@H]1Cc1ccccc1 ZINC000647962292 431752146 /nfs/dbraw/zinc/75/21/46/431752146.db2.gz XROWLURYSNAWBJ-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000647962292 431752150 /nfs/dbraw/zinc/75/21/50/431752150.db2.gz XROWLURYSNAWBJ-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1 ZINC000647962292 431752154 /nfs/dbraw/zinc/75/21/54/431752154.db2.gz XROWLURYSNAWBJ-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000657445542 431756304 /nfs/dbraw/zinc/75/63/04/431756304.db2.gz BJXMDTNVXCRMFS-UHFFFAOYSA-N 2 1 304.482 2.899 20 0 DFADMP CCCCc1noc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)n1 ZINC000647976882 431762389 /nfs/dbraw/zinc/76/23/89/431762389.db2.gz VSCOMDOLDAWVEC-CABCVRRESA-N 2 1 306.454 2.624 20 0 DFADMP COc1ccc(CC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647977080 431763297 /nfs/dbraw/zinc/76/32/97/431763297.db2.gz XRIVJYXRWZXZDS-MSOLQXFVSA-N 2 1 302.462 2.949 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+](C)CCCC2CC[NH2+]CC2)cc1 ZINC000647869534 431714165 /nfs/dbraw/zinc/71/41/65/431714165.db2.gz NISZMJMCQCOCAQ-UHFFFAOYSA-N 2 1 303.450 2.645 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647872310 431714192 /nfs/dbraw/zinc/71/41/92/431714192.db2.gz UIGVIDRMRQYZQW-UHFFFAOYSA-N 2 1 317.477 2.954 20 0 DFADMP O=C(c1ccc(Cl)cc1)C1CC[NH+](C[C@@H]2CC[NH2+]C2)CC1 ZINC000647877098 431715516 /nfs/dbraw/zinc/71/55/16/431715516.db2.gz IKCCVKTZQRGVPB-CYBMUJFWSA-N 2 1 306.837 2.844 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899649 431721024 /nfs/dbraw/zinc/72/10/24/431721024.db2.gz RLKVYDVMXYJVHW-MLHJIOFPSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647899649 431721027 /nfs/dbraw/zinc/72/10/27/431721027.db2.gz RLKVYDVMXYJVHW-MLHJIOFPSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1cc(NCC2CC[NH+](Cc3ccncc3)CC2)nc(C)[nH+]1 ZINC000664282670 431723385 /nfs/dbraw/zinc/72/33/85/431723385.db2.gz GBMKJXPURIMNKP-UHFFFAOYSA-N 2 1 311.433 2.813 20 0 DFADMP CC[N@@H+](CCCNCc1cc2n(n1)CCC2)C1CCCCC1 ZINC000657500274 431789255 /nfs/dbraw/zinc/78/92/55/431789255.db2.gz KHHDTNFAXWLIQL-UHFFFAOYSA-N 2 1 304.482 2.964 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035672 431794239 /nfs/dbraw/zinc/79/42/39/431794239.db2.gz LLGYIUBOEZADOZ-UHFFFAOYSA-N 2 1 304.438 2.762 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1cn(C)nc1-c1ccc(C)o1 ZINC000648035672 431794247 /nfs/dbraw/zinc/79/42/47/431794247.db2.gz LLGYIUBOEZADOZ-UHFFFAOYSA-N 2 1 304.438 2.762 20 0 DFADMP OC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000657558153 431807634 /nfs/dbraw/zinc/80/76/34/431807634.db2.gz AOWILMFHZYPWLT-OALUTQOASA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000657558153 431807639 /nfs/dbraw/zinc/80/76/39/431807639.db2.gz AOWILMFHZYPWLT-OALUTQOASA-N 2 1 314.473 2.934 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000657560060 431808061 /nfs/dbraw/zinc/80/80/61/431808061.db2.gz SDYXCBAAEMYBPV-LZQZEXGQSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H](CO)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000657560060 431808065 /nfs/dbraw/zinc/80/80/65/431808065.db2.gz SDYXCBAAEMYBPV-LZQZEXGQSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1[nH+]ccc(N[C@@H]2C[C@@H]([NH+]3CCOCC3)C23CCC3)c1Cl ZINC000664537355 431809240 /nfs/dbraw/zinc/80/92/40/431809240.db2.gz LNDQKSJANSIOSY-HUUCEWRRSA-N 2 1 321.852 2.521 20 0 DFADMP CCC[N@@H+](C[C@H]1CC[NH2+]C1)[C@@H](C)CC(=O)Nc1ccccc1 ZINC000647991220 431767700 /nfs/dbraw/zinc/76/77/00/431767700.db2.gz MEHNBGWUHQMALR-HOTGVXAUSA-N 2 1 303.450 2.725 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000657470228 431772046 /nfs/dbraw/zinc/77/20/46/431772046.db2.gz PKNUKRTWVHNTMV-SOLBZPMBSA-N 2 1 322.497 2.598 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1ccnn1C ZINC000657470228 431772048 /nfs/dbraw/zinc/77/20/48/431772048.db2.gz PKNUKRTWVHNTMV-SOLBZPMBSA-N 2 1 322.497 2.598 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000657492741 431782910 /nfs/dbraw/zinc/78/29/10/431782910.db2.gz ZWIDOQFMZOTPHE-FUHWJXTLSA-N 2 1 320.477 2.922 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccs3)cc2)C1 ZINC000657596387 431821582 /nfs/dbraw/zinc/82/15/82/431821582.db2.gz VWUYROUTXXMJGM-INIZCTEOSA-N 2 1 302.443 2.605 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]C3CCC(F)(F)CC3)cc2)C1 ZINC000657596091 431821891 /nfs/dbraw/zinc/82/18/91/431821891.db2.gz LFEXEGPVKKRVGP-KRWDZBQOSA-N 2 1 324.415 2.921 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000657595410 431822184 /nfs/dbraw/zinc/82/21/84/431822184.db2.gz IEENLUIGMGMOFV-GOSISDBHSA-N 2 1 316.470 2.913 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@H]3COC4(CCC4)C3)CC2)cc1 ZINC000657630409 431828872 /nfs/dbraw/zinc/82/88/72/431828872.db2.gz FHYHGMWBVZQPMC-GOSISDBHSA-N 2 1 300.446 2.952 20 0 DFADMP C[C@H](COc1c(F)cccc1F)[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000657629089 431829451 /nfs/dbraw/zinc/82/94/51/431829451.db2.gz ZTOHCZUSFCHDIV-MGPQQGTHSA-N 2 1 310.388 2.949 20 0 DFADMP CC[C@@H]1CN(C(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000648163190 431829502 /nfs/dbraw/zinc/82/95/02/431829502.db2.gz GMOWEHPNQDKEKJ-QGZVFWFLSA-N 2 1 317.477 2.627 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000657655039 431834185 /nfs/dbraw/zinc/83/41/85/431834185.db2.gz BAYVSNHGACQFKD-WMZOPIPTSA-N 2 1 311.429 2.810 20 0 DFADMP Cc1ccc2nc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)cn2c1 ZINC000374159247 281153575 /nfs/dbraw/zinc/15/35/75/281153575.db2.gz IOLILIZHESIDDA-UHFFFAOYSA-N 2 1 312.461 2.951 20 0 DFADMP Cc1ccccc1C1(O)CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000364053327 281335916 /nfs/dbraw/zinc/33/59/16/281335916.db2.gz DOHWHEHHHJJJDE-UHFFFAOYSA-N 2 1 302.462 2.764 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCC(F)(F)F ZINC000378244661 289332152 /nfs/dbraw/zinc/33/21/52/289332152.db2.gz QNYUTQUZOBHJRL-HZSPNIEDSA-N 2 1 308.388 2.903 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000367117330 290252217 /nfs/dbraw/zinc/25/22/17/290252217.db2.gz NZDDJPBTGHXGFK-VQIMIIECSA-N 2 1 301.478 2.848 20 0 DFADMP Cc1cnn(CCCCC[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000372527093 293000140 /nfs/dbraw/zinc/00/01/40/293000140.db2.gz NJWQUEUTKNZJNW-QGZVFWFLSA-N 2 1 315.465 2.753 20 0 DFADMP Cc1cnn(CCCCC[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000372527093 293000142 /nfs/dbraw/zinc/00/01/42/293000142.db2.gz NJWQUEUTKNZJNW-QGZVFWFLSA-N 2 1 315.465 2.753 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000438107294 297080623 /nfs/dbraw/zinc/08/06/23/297080623.db2.gz UUIANEARUHGLIJ-LSDHHAIUSA-N 2 1 308.441 2.706 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000438107294 297080624 /nfs/dbraw/zinc/08/06/24/297080624.db2.gz UUIANEARUHGLIJ-LSDHHAIUSA-N 2 1 308.441 2.706 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc(OC)c1OC ZINC000271630528 295019000 /nfs/dbraw/zinc/01/90/00/295019000.db2.gz BJWFTMNIODQMBS-HIFRSBDPSA-N 2 1 322.449 2.847 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000281333502 295037151 /nfs/dbraw/zinc/03/71/51/295037151.db2.gz AYTOSBUMDOHQIC-PXAZEXFGSA-N 2 1 315.392 2.913 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000281333502 295037155 /nfs/dbraw/zinc/03/71/55/295037155.db2.gz AYTOSBUMDOHQIC-PXAZEXFGSA-N 2 1 315.392 2.913 20 0 DFADMP COc1cccc(OCCN(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000154405410 295299352 /nfs/dbraw/zinc/29/93/52/295299352.db2.gz GTIBYWKATWEXCD-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc(OCC[N@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000154405410 295299353 /nfs/dbraw/zinc/29/93/53/295299353.db2.gz GTIBYWKATWEXCD-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc(OCC[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000154405410 295299354 /nfs/dbraw/zinc/29/93/54/295299354.db2.gz GTIBYWKATWEXCD-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc(OCC[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000154405410 295299355 /nfs/dbraw/zinc/29/93/55/295299355.db2.gz GTIBYWKATWEXCD-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc(OCC[NH+](C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000154405410 295299356 /nfs/dbraw/zinc/29/93/56/295299356.db2.gz GTIBYWKATWEXCD-INIZCTEOSA-N 2 1 306.450 2.880 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156170837 295332121 /nfs/dbraw/zinc/33/21/21/295332121.db2.gz VGROUPGWICCSRB-JKIFEVAISA-N 2 1 300.450 2.814 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OCC(C)C)C2(C)C)CC1 ZINC000156698579 295339786 /nfs/dbraw/zinc/33/97/86/295339786.db2.gz PPUVAZCIAAFYCL-SJORKVTESA-N 2 1 312.498 2.527 20 0 DFADMP CCC(C)(C)[C@@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000156754538 295340473 /nfs/dbraw/zinc/34/04/73/295340473.db2.gz QASRKOZOKKCXEU-KRWDZBQOSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000159219160 295374138 /nfs/dbraw/zinc/37/41/38/295374138.db2.gz ILFJFLSLCBNPEE-ISXOHVOVSA-N 2 1 320.481 2.597 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)NC1CCC(C)CC1 ZINC000159219160 295374139 /nfs/dbraw/zinc/37/41/39/295374139.db2.gz ILFJFLSLCBNPEE-ISXOHVOVSA-N 2 1 320.481 2.597 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000438218151 297085077 /nfs/dbraw/zinc/08/50/77/297085077.db2.gz XWWOCRHVKHWNAE-MOPGFXCFSA-N 2 1 302.462 2.567 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000439076841 297113906 /nfs/dbraw/zinc/11/39/06/297113906.db2.gz JWIUHWIULJEDHO-CQSZACIVSA-N 2 1 319.449 2.790 20 0 DFADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439829236 297139353 /nfs/dbraw/zinc/13/93/53/297139353.db2.gz GAEBQTDSYVQTDI-MAUKXSAKSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439829236 297139355 /nfs/dbraw/zinc/13/93/55/297139355.db2.gz GAEBQTDSYVQTDI-MAUKXSAKSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439829236 297139357 /nfs/dbraw/zinc/13/93/57/297139357.db2.gz GAEBQTDSYVQTDI-MAUKXSAKSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439829230 297139434 /nfs/dbraw/zinc/13/94/34/297139434.db2.gz GAEBQTDSYVQTDI-CRAIPNDOSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439829230 297139436 /nfs/dbraw/zinc/13/94/36/297139436.db2.gz GAEBQTDSYVQTDI-CRAIPNDOSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439829230 297139438 /nfs/dbraw/zinc/13/94/38/297139438.db2.gz GAEBQTDSYVQTDI-CRAIPNDOSA-N 2 1 319.493 2.527 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000440116451 297144680 /nfs/dbraw/zinc/14/46/80/297144680.db2.gz FCNXOIDZVGIVCI-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000440116451 297144683 /nfs/dbraw/zinc/14/46/83/297144683.db2.gz FCNXOIDZVGIVCI-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CC[NH+](CC)CC(=O)N1CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC000441515054 297185420 /nfs/dbraw/zinc/18/54/20/297185420.db2.gz VQQFLIBAEKNLRI-QGZVFWFLSA-N 2 1 317.477 2.542 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000442765766 297204845 /nfs/dbraw/zinc/20/48/45/297204845.db2.gz MWURMRCIUFRYTO-RDBSUJKOSA-N 2 1 300.406 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@H](C[NH3+])C[C@H]2C)n1 ZINC000442765766 297204847 /nfs/dbraw/zinc/20/48/47/297204847.db2.gz MWURMRCIUFRYTO-RDBSUJKOSA-N 2 1 300.406 2.775 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C1CCC(C(F)F)CC1 ZINC000442783758 297206059 /nfs/dbraw/zinc/20/60/59/297206059.db2.gz RXXFTAGSHDVQND-NRXISQOPSA-N 2 1 304.425 2.637 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000442878477 297209286 /nfs/dbraw/zinc/20/92/86/297209286.db2.gz YZQBPUHZJQGMBF-QGZVFWFLSA-N 2 1 317.521 2.968 20 0 DFADMP C[C@H](CCCC(F)(F)F)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442877484 297209355 /nfs/dbraw/zinc/20/93/55/297209355.db2.gz URLQZPSBLREVIE-CYBMUJFWSA-N 2 1 309.420 2.723 20 0 DFADMP C[C@@H]1Cc2ccc(F)cc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442887949 297209782 /nfs/dbraw/zinc/20/97/82/297209782.db2.gz CFPSREDOGRWDSV-RDTXWAMCSA-N 2 1 319.468 2.675 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC[C@H](CC[NH3+])C3)c1)O[C@@H](C)C2 ZINC000442922969 297211022 /nfs/dbraw/zinc/21/10/22/297211022.db2.gz LRTNAJXYKYWLPG-UONOGXRCSA-N 2 1 304.434 2.579 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000443055733 297213600 /nfs/dbraw/zinc/21/36/00/297213600.db2.gz BMOYRRYDZMLSNZ-MRXNPFEDSA-N 2 1 324.472 2.922 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443056090 297213637 /nfs/dbraw/zinc/21/36/37/297213637.db2.gz CABZRZQBGXDROK-VXGBXAGGSA-N 2 1 306.435 2.920 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443057048 297213820 /nfs/dbraw/zinc/21/38/20/297213820.db2.gz FDXRERKLRGHBGF-CVEARBPZSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443059890 297213927 /nfs/dbraw/zinc/21/39/27/297213927.db2.gz NSKOZGIEXGMHPF-ULQDDVLXSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1 ZINC000443062691 297214251 /nfs/dbraw/zinc/21/42/51/297214251.db2.gz UZXKYCUBZUIFBG-SJORKVTESA-N 2 1 317.477 3.000 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000443062688 297214277 /nfs/dbraw/zinc/21/42/77/297214277.db2.gz UZXKYCUBZUIFBG-DLBZAZTESA-N 2 1 317.477 3.000 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443062276 297214380 /nfs/dbraw/zinc/21/43/80/297214380.db2.gz UFVVHZMNKUIIQD-KGLIPLIRSA-N 2 1 307.413 2.522 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063427 297214522 /nfs/dbraw/zinc/21/45/22/297214522.db2.gz WOWROYZZXFWDGU-KBPBESRZSA-N 2 1 323.868 2.578 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443066088 297214923 /nfs/dbraw/zinc/21/49/23/297214923.db2.gz DIXKBSLIFNHMIG-ZIAGYGMSSA-N 2 1 300.406 2.858 20 0 DFADMP CC(C)c1ccc(CC[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000443070105 297214937 /nfs/dbraw/zinc/21/49/37/297214937.db2.gz OBLIYKKAMIJCST-UHFFFAOYSA-N 2 1 317.521 2.968 20 0 DFADMP CO[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@H](C)C1 ZINC000443075773 297215335 /nfs/dbraw/zinc/21/53/35/297215335.db2.gz VXIZFMUXAKSWQF-GUYCJALGSA-N 2 1 300.406 2.575 20 0 DFADMP Cc1ccccc1-c1nc(C[N@@H+]2CCC[C@H](CC[NH3+])C2)no1 ZINC000443079358 297215628 /nfs/dbraw/zinc/21/56/28/297215628.db2.gz ZGFNMKMIFLMZEH-CQSZACIVSA-N 2 1 300.406 2.606 20 0 DFADMP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@H](CC[NH3+])C2)no1 ZINC000443079358 297215630 /nfs/dbraw/zinc/21/56/30/297215630.db2.gz ZGFNMKMIFLMZEH-CQSZACIVSA-N 2 1 300.406 2.606 20 0 DFADMP COc1cccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000443618599 297222877 /nfs/dbraw/zinc/22/28/77/297222877.db2.gz NMCZDFRTOQTHJJ-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1cccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000443618599 297222878 /nfs/dbraw/zinc/22/28/78/297222878.db2.gz NMCZDFRTOQTHJJ-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1cccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000443618599 297222880 /nfs/dbraw/zinc/22/28/80/297222880.db2.gz NMCZDFRTOQTHJJ-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1cccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000443618599 297222883 /nfs/dbraw/zinc/22/28/83/297222883.db2.gz NMCZDFRTOQTHJJ-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP CCc1ccccc1CC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000444663869 297243767 /nfs/dbraw/zinc/24/37/67/297243767.db2.gz PNVBHWKLGOEJHE-UHFFFAOYSA-N 2 1 317.521 2.749 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H]1CCCC[C@@H]1C ZINC000444670164 297244295 /nfs/dbraw/zinc/24/42/95/297244295.db2.gz FIIUEDKABDVIHX-YJBOKZPZSA-N 2 1 321.509 2.630 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000447454399 297304554 /nfs/dbraw/zinc/30/45/54/297304554.db2.gz XTJHWAQRVMTHHH-HKUYNNGSSA-N 2 1 317.477 2.631 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cc(C)oc2C)CC1 ZINC000447541604 297307722 /nfs/dbraw/zinc/30/77/22/297307722.db2.gz MOKFWKQCXJRIFX-INIZCTEOSA-N 2 1 307.482 2.965 20 0 DFADMP Cc1cc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)o1 ZINC000447562822 297308664 /nfs/dbraw/zinc/30/86/64/297308664.db2.gz NICTXPBXCFBPIB-HNNXBMFYSA-N 2 1 307.482 2.821 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(C)c(OC)c2)C1 ZINC000447727918 297314863 /nfs/dbraw/zinc/31/48/63/297314863.db2.gz CULXKNXDQYOUKU-GOSISDBHSA-N 2 1 320.477 2.936 20 0 DFADMP Cc1cc(N2CCC([NH2+]C3CC4(CCC4)C3)CC2)nc(C)[nH+]1 ZINC000448062162 297331222 /nfs/dbraw/zinc/33/12/22/297331222.db2.gz BDJSZYNGFHGWDD-UHFFFAOYSA-N 2 1 300.450 2.985 20 0 DFADMP COCC[NH+]1CCC([NH2+]CC[C@H]2CCc3ccccc32)CC1 ZINC000449374748 297455285 /nfs/dbraw/zinc/45/52/85/297455285.db2.gz GDNKBSMCTJNLTI-QGZVFWFLSA-N 2 1 302.462 2.807 20 0 DFADMP CC1(C)COC[C@@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449623558 297501473 /nfs/dbraw/zinc/50/14/73/297501473.db2.gz JSNBNVCGTNQSPJ-SFHVURJKSA-N 2 1 320.452 2.847 20 0 DFADMP C[C@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453124715 298065145 /nfs/dbraw/zinc/06/51/45/298065145.db2.gz OWTZUMMTUIKCBY-KANFNMMFSA-N 2 1 302.462 2.790 20 0 DFADMP OC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CCC1 ZINC000453122619 298065278 /nfs/dbraw/zinc/06/52/78/298065278.db2.gz YDLWWNQWWZYIAR-GUDVDZBRSA-N 2 1 314.473 2.934 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192364 298070201 /nfs/dbraw/zinc/07/02/01/298070201.db2.gz GKZCHOFCBZVUBS-IAGOWNOFSA-N 2 1 308.853 2.837 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H](c2ccc(Cl)cc2)C2CCC2)C1 ZINC000453192364 298070202 /nfs/dbraw/zinc/07/02/02/298070202.db2.gz GKZCHOFCBZVUBS-IAGOWNOFSA-N 2 1 308.853 2.837 20 0 DFADMP CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453198338 298071007 /nfs/dbraw/zinc/07/10/07/298071007.db2.gz NYFIBCWOHZIYLZ-INDMIFKZSA-N 2 1 302.462 2.790 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000453213775 298071981 /nfs/dbraw/zinc/07/19/81/298071981.db2.gz JGVDHUMKCBHMPU-CGZBRXJRSA-N 2 1 316.445 2.605 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000453262555 298077888 /nfs/dbraw/zinc/07/78/88/298077888.db2.gz FYEZRDGBWIXGGJ-RYUDHWBXSA-N 2 1 300.805 2.930 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000453262555 298077891 /nfs/dbraw/zinc/07/78/91/298077891.db2.gz FYEZRDGBWIXGGJ-RYUDHWBXSA-N 2 1 300.805 2.930 20 0 DFADMP OCC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000453333314 298083722 /nfs/dbraw/zinc/08/37/22/298083722.db2.gz GNVPBAMNNQLMSB-REPLKXPHSA-N 2 1 314.473 2.934 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3ccncc3)C2)[C@@H]2CCC[C@@H]21 ZINC000453335011 298084295 /nfs/dbraw/zinc/08/42/95/298084295.db2.gz FEISPFPRYZCSIK-BCYZHJNNSA-N 2 1 315.461 2.764 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1)C1CC1 ZINC000453390745 298089160 /nfs/dbraw/zinc/08/91/60/298089160.db2.gz DLBZSHOFVLUTIU-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000453398310 298089761 /nfs/dbraw/zinc/08/97/61/298089761.db2.gz KMVJDNJVWXSCBD-ACJLOTCBSA-N 2 1 312.417 2.500 20 0 DFADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453397966 298090119 /nfs/dbraw/zinc/09/01/19/298090119.db2.gz KFJZZSTXUUTTNO-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CC[C@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)O1 ZINC000453408855 298091096 /nfs/dbraw/zinc/09/10/96/298091096.db2.gz NWLICKYGSKNJFE-DNVCBOLYSA-N 2 1 320.452 2.990 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000453625930 298106530 /nfs/dbraw/zinc/10/65/30/298106530.db2.gz FPXBIJQOPIUBCJ-OBKDMQGPSA-N 2 1 314.473 2.648 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C[C@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000495997099 300004354 /nfs/dbraw/zinc/00/43/54/300004354.db2.gz BMWFUSODBLMDMD-HNNXBMFYSA-N 2 1 324.469 2.721 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](C)CCCN(C)C(=O)OC(C)(C)C)CC[NH2+]1 ZINC000497123577 300165038 /nfs/dbraw/zinc/16/50/38/300165038.db2.gz CLFADHXBOSVXCM-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(F)c(F)c(F)c2)[C@@H](C)C1 ZINC000507482244 300235675 /nfs/dbraw/zinc/23/56/75/300235675.db2.gz QHQFXYWURBFKSQ-XHDPSFHLSA-N 2 1 300.368 2.966 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]CC2(C)COC2)C[N@H+]1Cc1ccccc1 ZINC000512044626 300252124 /nfs/dbraw/zinc/25/21/24/300252124.db2.gz GYVMOZYXUAAMGE-WMZOPIPTSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000514730207 300268611 /nfs/dbraw/zinc/26/86/11/300268611.db2.gz KAQGPIOSMKFHQZ-CRAIPNDOSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000514796203 300271342 /nfs/dbraw/zinc/27/13/42/300271342.db2.gz NMCFEXMYSXYNQS-MRXNPFEDSA-N 2 1 301.438 2.540 20 0 DFADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000514796203 300271346 /nfs/dbraw/zinc/27/13/46/300271346.db2.gz NMCFEXMYSXYNQS-MRXNPFEDSA-N 2 1 301.438 2.540 20 0 DFADMP CC[N@H+](C)C[C@@H](O)CN1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869637 300276977 /nfs/dbraw/zinc/27/69/77/300276977.db2.gz CYHSAMOBFJJMAQ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869637 300276979 /nfs/dbraw/zinc/27/69/79/300276979.db2.gz CYHSAMOBFJJMAQ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869637 300276980 /nfs/dbraw/zinc/27/69/80/300276980.db2.gz CYHSAMOBFJJMAQ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869637 300276982 /nfs/dbraw/zinc/27/69/82/300276982.db2.gz CYHSAMOBFJJMAQ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869637 300276984 /nfs/dbraw/zinc/27/69/84/300276984.db2.gz CYHSAMOBFJJMAQ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1cccc(F)c1 ZINC000514869637 300276985 /nfs/dbraw/zinc/27/69/85/300276985.db2.gz CYHSAMOBFJJMAQ-MSOLQXFVSA-N 2 1 308.441 2.535 20 0 DFADMP CC(C)COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccco1 ZINC000516082871 300328685 /nfs/dbraw/zinc/32/86/85/300328685.db2.gz GFQPRABGYRKMJL-INIZCTEOSA-N 2 1 305.422 2.949 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N(C)C3CCCC3)CC2)CC1 ZINC000516661455 300354804 /nfs/dbraw/zinc/35/48/04/300354804.db2.gz PJTABPNDMUJSMR-UHFFFAOYSA-N 2 1 321.509 2.584 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000517371973 300394372 /nfs/dbraw/zinc/39/43/72/300394372.db2.gz OQGXYLBRBGHUCI-SFHVURJKSA-N 2 1 304.434 2.588 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000517371973 300394374 /nfs/dbraw/zinc/39/43/74/300394374.db2.gz OQGXYLBRBGHUCI-SFHVURJKSA-N 2 1 304.434 2.588 20 0 DFADMP C[NH2+]C[C@](C)(O)C[NH+]1CCC(Oc2ccc(C(C)C)cc2)CC1 ZINC000518200629 300419783 /nfs/dbraw/zinc/41/97/83/300419783.db2.gz NQFPQNZEBJAAGW-IBGZPJMESA-N 2 1 320.477 2.624 20 0 DFADMP COc1cccc([C@H](C[NH2+]Cc2c[nH+]ccc2N(C)C)OC)c1 ZINC000527733601 300681250 /nfs/dbraw/zinc/68/12/50/300681250.db2.gz CNNABAOSZWSZEY-SFHVURJKSA-N 2 1 315.417 2.634 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000530216926 301030322 /nfs/dbraw/zinc/03/03/22/301030322.db2.gz DKEWDHMCMZVDPX-WFFDWFOESA-N 2 1 306.425 2.598 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[NH2+][C@@H](C)c2ncccc2F)cc1 ZINC000530236248 301033397 /nfs/dbraw/zinc/03/33/97/301033397.db2.gz PLOVIWDKWGWPNW-JSGCOSHPSA-N 2 1 303.381 2.622 20 0 DFADMP CCCc1nc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000530239089 301033446 /nfs/dbraw/zinc/03/34/46/301033446.db2.gz CIUOAFDVLQTYFG-MRXNPFEDSA-N 2 1 323.506 2.686 20 0 DFADMP C[C@H]1CC[N@@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000531729117 301106377 /nfs/dbraw/zinc/10/63/77/301106377.db2.gz ZHSFCDCZWFZVCN-SFHVURJKSA-N 2 1 315.505 2.625 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)c1ccoc1 ZINC000531931962 301119142 /nfs/dbraw/zinc/11/91/42/301119142.db2.gz ZSTBWOMVBPKODI-GDBMZVCRSA-N 2 1 319.474 2.980 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NC2CCCCC2)CC1 ZINC000533271095 301193852 /nfs/dbraw/zinc/19/38/52/301193852.db2.gz YYSCPCGZWJBRIE-MRXNPFEDSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315753 301227679 /nfs/dbraw/zinc/22/76/79/301227679.db2.gz VEQNCOBPPAHTKY-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315753 301227681 /nfs/dbraw/zinc/22/76/81/301227681.db2.gz VEQNCOBPPAHTKY-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@H](CC(=O)OC(C)(C)C)C1 ZINC000534315753 301227684 /nfs/dbraw/zinc/22/76/84/301227684.db2.gz VEQNCOBPPAHTKY-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP Cc1[nH]nc2ncc(C[NH+]3CCC(C[N@H+](C)C(C)C)CC3)cc12 ZINC000535815219 301262665 /nfs/dbraw/zinc/26/26/65/301262665.db2.gz HHBLEDBDKHKBIJ-UHFFFAOYSA-N 2 1 315.465 2.819 20 0 DFADMP CCc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)s1 ZINC000535837139 301263700 /nfs/dbraw/zinc/26/37/00/301263700.db2.gz JGTMZFYIIKISFU-HNNXBMFYSA-N 2 1 307.507 2.522 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CCC[NH+](C)C)cc1 ZINC000539417341 301342225 /nfs/dbraw/zinc/34/22/25/301342225.db2.gz RALRAIALBWJBHI-UHFFFAOYSA-N 2 1 319.493 2.942 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1nc(-c3ccccc3)c[nH]1)C2 ZINC000548752436 301611493 /nfs/dbraw/zinc/61/14/93/301611493.db2.gz ZSAPJDCIUCNSQO-AWEZNQCLSA-N 2 1 307.401 2.625 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000553176752 301705699 /nfs/dbraw/zinc/70/56/99/301705699.db2.gz QMDMUHZDKNOTEO-FUHWJXTLSA-N 2 1 317.477 2.526 20 0 DFADMP Cc1cc(=O)[nH]c([C@@H](C)[NH+]2CCC(C[N@H+](C)C(C)C)CC2)n1 ZINC000562943239 302015694 /nfs/dbraw/zinc/01/56/94/302015694.db2.gz IVGRWZBENYQCQX-CQSZACIVSA-N 2 1 306.454 2.604 20 0 DFADMP C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000562956728 302017247 /nfs/dbraw/zinc/01/72/47/302017247.db2.gz YIRSWSZDVPCJAH-ASFAAARLSA-N 2 1 311.429 2.701 20 0 DFADMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccs1 ZINC000562980821 302021032 /nfs/dbraw/zinc/02/10/32/302021032.db2.gz NBSBAHFISHECNV-LBPRGKRZSA-N 2 1 305.451 2.574 20 0 DFADMP Cc1ccc(CCC[NH+]2CCC(CO)([NH2+]CC3CC3)CC2)cc1 ZINC000563216052 302050456 /nfs/dbraw/zinc/05/04/56/302050456.db2.gz IPKWAXPRJJRDOR-UHFFFAOYSA-N 2 1 316.489 2.754 20 0 DFADMP COCC[NH2+]C1CC[NH+](Cc2cc(C)c3ncccc3c2)CC1 ZINC000563232026 302053174 /nfs/dbraw/zinc/05/31/74/302053174.db2.gz UOAXYYCVEMNJEQ-UHFFFAOYSA-N 2 1 313.445 2.744 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563725051 302095578 /nfs/dbraw/zinc/09/55/78/302095578.db2.gz RYRUOOVZWPFUEV-UHFFFAOYSA-N 3 1 309.457 2.683 20 0 DFADMP [NH3+]CCCN(Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000563725051 302095580 /nfs/dbraw/zinc/09/55/80/302095580.db2.gz RYRUOOVZWPFUEV-UHFFFAOYSA-N 2 1 309.457 2.683 20 0 DFADMP CN(CCC[N@@H+](C)Cc1cc2ccc(F)cc2[nH]1)CC[NH+](C)C ZINC000563967120 302112486 /nfs/dbraw/zinc/11/24/86/302112486.db2.gz XPAVFGFTRIRACP-UHFFFAOYSA-N 2 1 320.456 2.622 20 0 DFADMP COCC1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564328089 302128960 /nfs/dbraw/zinc/12/89/60/302128960.db2.gz LDDJQSLMMQUONH-KRWDZBQOSA-N 2 1 300.446 2.952 20 0 DFADMP COCC1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000564328089 302128963 /nfs/dbraw/zinc/12/89/63/302128963.db2.gz LDDJQSLMMQUONH-KRWDZBQOSA-N 2 1 300.446 2.952 20 0 DFADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000564655965 302148133 /nfs/dbraw/zinc/14/81/33/302148133.db2.gz PLGHJCZWYWMQPQ-LJQANCHMSA-N 2 1 324.472 2.749 20 0 DFADMP Cn1ccc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)n1 ZINC000564655965 302148135 /nfs/dbraw/zinc/14/81/35/302148135.db2.gz PLGHJCZWYWMQPQ-LJQANCHMSA-N 2 1 324.472 2.749 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cccc(O)c2)cc1 ZINC000564719243 302153224 /nfs/dbraw/zinc/15/32/24/302153224.db2.gz XRQMHVBENTXHKI-INIZCTEOSA-N 2 1 300.402 2.575 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564846887 302163406 /nfs/dbraw/zinc/16/34/06/302163406.db2.gz UUOSPROQJAUFQH-OALUTQOASA-N 2 1 304.478 2.690 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2cccc(F)c2)C1 ZINC000564847817 302163547 /nfs/dbraw/zinc/16/35/47/302163547.db2.gz BXOHLHVRVWSYJT-OAHLLOKOSA-N 2 1 321.440 2.722 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+]CCCCc1ccc(Cl)s1)C1CC1 ZINC000564869116 302166777 /nfs/dbraw/zinc/16/67/77/302166777.db2.gz OMDKJHHOBGZQRL-ZDUSSCGKSA-N 2 1 316.898 2.769 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+]CCCCc1ccc(Cl)s1)C1CC1 ZINC000564869116 302166778 /nfs/dbraw/zinc/16/67/78/302166778.db2.gz OMDKJHHOBGZQRL-ZDUSSCGKSA-N 2 1 316.898 2.769 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564973027 302178285 /nfs/dbraw/zinc/17/82/85/302178285.db2.gz PKFGVEAFTIVBDZ-CEXWTWQISA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564973027 302178287 /nfs/dbraw/zinc/17/82/87/302178287.db2.gz PKFGVEAFTIVBDZ-CEXWTWQISA-N 2 1 314.473 2.934 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@@H](C)C1=CC[N@@H+](C)CC1 ZINC000565299137 302216376 /nfs/dbraw/zinc/21/63/76/302216376.db2.gz HATMCVSZFMXENL-AWEZNQCLSA-N 2 1 319.424 2.703 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657169 302235619 /nfs/dbraw/zinc/23/56/19/302235619.db2.gz BRMMVCFMYOXMTD-LJQANCHMSA-N 2 1 301.478 2.639 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657169 302235622 /nfs/dbraw/zinc/23/56/22/302235622.db2.gz BRMMVCFMYOXMTD-LJQANCHMSA-N 3 1 301.478 2.639 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657169 302235625 /nfs/dbraw/zinc/23/56/25/302235625.db2.gz BRMMVCFMYOXMTD-LJQANCHMSA-N 3 1 301.478 2.639 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657169 302235628 /nfs/dbraw/zinc/23/56/28/302235628.db2.gz BRMMVCFMYOXMTD-LJQANCHMSA-N 3 1 301.478 2.639 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657169 302235631 /nfs/dbraw/zinc/23/56/31/302235631.db2.gz BRMMVCFMYOXMTD-LJQANCHMSA-N 3 1 301.478 2.639 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)OCO2)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000566014772 302253632 /nfs/dbraw/zinc/25/36/32/302253632.db2.gz SCLGMHCHAKTLFY-UHFFFAOYSA-N 2 1 310.397 2.693 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000566200882 302267442 /nfs/dbraw/zinc/26/74/42/302267442.db2.gz IMOFJFXGLDBUGZ-YOEHRIQHSA-N 2 1 303.450 2.585 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000566619480 302299868 /nfs/dbraw/zinc/29/98/68/302299868.db2.gz KKDITMSGZVZDSJ-QZTJIDSGSA-N 2 1 300.446 2.544 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000566619480 302299869 /nfs/dbraw/zinc/29/98/69/302299869.db2.gz KKDITMSGZVZDSJ-QZTJIDSGSA-N 2 1 300.446 2.544 20 0 DFADMP CC[C@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(F)cc1 ZINC000567227542 302343498 /nfs/dbraw/zinc/34/34/98/302343498.db2.gz MDKPTRPZEIWQGJ-HNNXBMFYSA-N 2 1 317.412 2.652 20 0 DFADMP CSc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCC2 ZINC000567269539 302346530 /nfs/dbraw/zinc/34/65/30/302346530.db2.gz KOSWDBPWTSHMTL-CRAIPNDOSA-N 2 1 320.502 2.832 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)CC2)n1 ZINC000567298969 302348105 /nfs/dbraw/zinc/34/81/05/302348105.db2.gz ZKWHLFOXZWWTDE-IRKLFDGPSA-N 2 1 318.465 2.867 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c(C)c1 ZINC000567674176 302378045 /nfs/dbraw/zinc/37/80/45/302378045.db2.gz BEYGMBQLWQGRPK-AWEZNQCLSA-N 2 1 313.449 2.739 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000567683272 302378982 /nfs/dbraw/zinc/37/89/82/302378982.db2.gz KYKWCOYMKBZXLG-GDBMZVCRSA-N 2 1 310.507 2.957 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000567683272 302378985 /nfs/dbraw/zinc/37/89/85/302378985.db2.gz KYKWCOYMKBZXLG-GDBMZVCRSA-N 2 1 310.507 2.957 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)Cc1cccc(Cl)c1 ZINC000568857647 302478314 /nfs/dbraw/zinc/47/83/14/302478314.db2.gz KQPMJWNZHWADRM-QGZVFWFLSA-N 2 1 321.852 2.818 20 0 DFADMP CCCN(C(=O)Nc1cc(C)c2[nH+]ccn2c1)C1CC[NH2+]CC1 ZINC000568854091 302478325 /nfs/dbraw/zinc/47/83/25/302478325.db2.gz ZFBFXUOIQZWFSV-UHFFFAOYSA-N 2 1 315.421 2.639 20 0 DFADMP Cc1[nH+]cc(CNCC(C)(C)[NH2+][C@H](C)c2ccccc2)n1C ZINC000572257825 302652284 /nfs/dbraw/zinc/65/22/84/302652284.db2.gz AZKKETFDFSIVHM-CQSZACIVSA-N 2 1 300.450 2.948 20 0 DFADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2cccs2)n1 ZINC000180054945 316025413 /nfs/dbraw/zinc/02/54/13/316025413.db2.gz WOPNJIGILGAOMC-UHFFFAOYSA-N 2 1 318.490 2.922 20 0 DFADMP CCCN(CCC)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745700 316191434 /nfs/dbraw/zinc/19/14/34/316191434.db2.gz WCPAZJFTVHZNNW-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCCN(CCC)C(=O)C[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745700 316191436 /nfs/dbraw/zinc/19/14/36/316191436.db2.gz WCPAZJFTVHZNNW-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000360018956 316573544 /nfs/dbraw/zinc/57/35/44/316573544.db2.gz QZZRQSIEFWFRJY-IRXDYDNUSA-N 2 1 317.408 2.574 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000360163945 316578529 /nfs/dbraw/zinc/57/85/29/316578529.db2.gz FFNSOGYPMGIESQ-UHFFFAOYSA-N 2 1 306.498 2.757 20 0 DFADMP COC(=O)c1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)oc1C ZINC000414802552 316663440 /nfs/dbraw/zinc/66/34/40/316663440.db2.gz BWBCPKLZMLSMNF-NSHDSACASA-N 2 1 302.374 2.684 20 0 DFADMP C[NH+](C)C[C@@](C)(O)CNc1cc[nH+]c2cc(F)c(Cl)cc12 ZINC000450411150 317090707 /nfs/dbraw/zinc/09/07/07/317090707.db2.gz XBZNUTKVIPQIIK-HNNXBMFYSA-N 2 1 311.788 2.752 20 0 DFADMP C[C@H](O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450500751 317099628 /nfs/dbraw/zinc/09/96/28/317099628.db2.gz LZEZPLZBXDJJLG-QXAKKESOSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450500751 317099632 /nfs/dbraw/zinc/09/96/32/317099632.db2.gz LZEZPLZBXDJJLG-QXAKKESOSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450500751 317099637 /nfs/dbraw/zinc/09/96/37/317099637.db2.gz LZEZPLZBXDJJLG-QXAKKESOSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000450500752 317099880 /nfs/dbraw/zinc/09/98/80/317099880.db2.gz LZEZPLZBXDJJLG-UHOSZYNNSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000450500752 317099882 /nfs/dbraw/zinc/09/98/82/317099882.db2.gz LZEZPLZBXDJJLG-UHOSZYNNSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@H](O)CC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000450500752 317099883 /nfs/dbraw/zinc/09/98/83/317099883.db2.gz LZEZPLZBXDJJLG-UHOSZYNNSA-N 2 1 302.462 2.744 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453104353 317163030 /nfs/dbraw/zinc/16/30/30/317163030.db2.gz ZHQIZBORIDMNON-ZCNNSNEGSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)cn1 ZINC000453104353 317163034 /nfs/dbraw/zinc/16/30/34/317163034.db2.gz ZHQIZBORIDMNON-ZCNNSNEGSA-N 2 1 324.472 2.953 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@H](C2CC2)C2CCC2)C1 ZINC000453200010 317167955 /nfs/dbraw/zinc/16/79/55/317167955.db2.gz UDHFERSWYVFDIH-UXHICEINSA-N 2 1 314.473 2.922 20 0 DFADMP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000453203028 317168856 /nfs/dbraw/zinc/16/88/56/317168856.db2.gz DSZAAWQIZISEEX-ROUUACIJSA-N 2 1 319.493 2.883 20 0 DFADMP C[C@@H](CCCc1cccnc1)[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000453203028 317168860 /nfs/dbraw/zinc/16/88/60/317168860.db2.gz DSZAAWQIZISEEX-ROUUACIJSA-N 2 1 319.493 2.883 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000453394841 317182839 /nfs/dbraw/zinc/18/28/39/317182839.db2.gz HJGVBZYSJOJSLH-PKOBYXMFSA-N 2 1 324.472 2.828 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCn2cc(Cl)cn2)CC1 ZINC000459300686 317314786 /nfs/dbraw/zinc/31/47/86/317314786.db2.gz KPSQVPBBCYUBLB-UHFFFAOYSA-N 2 1 312.889 2.980 20 0 DFADMP CCCCC[N@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000470852077 317331275 /nfs/dbraw/zinc/33/12/75/317331275.db2.gz SRHSRTRHPPXHAL-GJZGRUSLSA-N 2 1 323.460 2.581 20 0 DFADMP CCCCC[N@@H+](C)C[C@@H]1C[C@H](F)CN1c1cc[nH+]c(N(C)C)n1 ZINC000470852077 317331280 /nfs/dbraw/zinc/33/12/80/317331280.db2.gz SRHSRTRHPPXHAL-GJZGRUSLSA-N 2 1 323.460 2.581 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@H]2C[C@H]2C)CC1 ZINC000488420573 317391791 /nfs/dbraw/zinc/39/17/91/317391791.db2.gz WQMITKBMFNWGPN-VQIMIIECSA-N 2 1 301.478 2.570 20 0 DFADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H](c1cccc(Cl)c1)[NH+](C)C ZINC000494706615 317664481 /nfs/dbraw/zinc/66/44/81/317664481.db2.gz FYCYABOENDIDAF-SWLSCSKDSA-N 2 1 311.857 2.576 20 0 DFADMP C([NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)C(C1CCC1)C1CCC1 ZINC000530212196 317776179 /nfs/dbraw/zinc/77/61/79/317776179.db2.gz PRVAUPIHQASRSI-QXAKKESOSA-N 2 1 306.494 2.950 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530224744 317777033 /nfs/dbraw/zinc/77/70/33/317777033.db2.gz XUVLVLXHPNFGFE-SDBXPKJASA-N 2 1 319.193 2.944 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000572066961 318000104 /nfs/dbraw/zinc/00/01/04/318000104.db2.gz JJWRWQQOEVOYQB-IRXDYDNUSA-N 2 1 323.525 2.593 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]CCC(=O)Nc2ccccc2)C1 ZINC000572751415 318002348 /nfs/dbraw/zinc/00/23/48/318002348.db2.gz HFUZMACKYZROSV-MRXNPFEDSA-N 2 1 303.450 2.583 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1C[NH+](C)C ZINC000572973745 318009854 /nfs/dbraw/zinc/00/98/54/318009854.db2.gz AMHFMXJUYUJJFA-HNNXBMFYSA-N 2 1 303.450 2.951 20 0 DFADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000574631329 318029166 /nfs/dbraw/zinc/02/91/66/318029166.db2.gz FKMVZFSPFYRPEJ-RDJZCZTQSA-N 2 1 310.869 2.706 20 0 DFADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000574631329 318029169 /nfs/dbraw/zinc/02/91/69/318029169.db2.gz FKMVZFSPFYRPEJ-RDJZCZTQSA-N 2 1 310.869 2.706 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1ccccc1Cl)N1CCCC1)C1C[NH2+]C1 ZINC000574748889 318037778 /nfs/dbraw/zinc/03/77/78/318037778.db2.gz PWVSMDRKWYIDAA-DYVFJYSZSA-N 2 1 307.869 2.674 20 0 DFADMP C[NH2+]C[C@](C)(O)C[NH2+][C@H](c1ccc(Cl)cc1F)C(C)C ZINC000574994587 318055713 /nfs/dbraw/zinc/05/57/13/318055713.db2.gz AUFXKZMORIXLAT-GJZGRUSLSA-N 2 1 302.821 2.736 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)C1 ZINC000575984661 318096019 /nfs/dbraw/zinc/09/60/19/318096019.db2.gz BRLASLJXOJMYOF-WBVHZDCISA-N 2 1 317.477 2.559 20 0 DFADMP C[C@H]([NH2+][C@H](CO)c1ccc(C(F)(F)F)cc1)[C@@H]1CCC[NH2+]C1 ZINC000576027010 318099192 /nfs/dbraw/zinc/09/91/92/318099192.db2.gz IJHHDAOMEUTKRA-NJZAAPMLSA-N 2 1 316.367 2.717 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000576192302 318109509 /nfs/dbraw/zinc/10/95/09/318109509.db2.gz DQBUQHLECPSMGZ-MNZLEMJZSA-N 2 1 318.461 2.564 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000576458421 318127570 /nfs/dbraw/zinc/12/75/70/318127570.db2.gz SYMRKSNJOCDZFW-HNNXBMFYSA-N 2 1 303.450 2.852 20 0 DFADMP c1cc(C[NH+]2CCCCC2)cc(-c2noc(C[NH2+]C3CC3)n2)c1 ZINC000576582726 318135670 /nfs/dbraw/zinc/13/56/70/318135670.db2.gz AYTLOHQKWBYMSK-UHFFFAOYSA-N 2 1 312.417 2.975 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000576698428 318143862 /nfs/dbraw/zinc/14/38/62/318143862.db2.gz XKDXMSQIHQKWIO-HGKCTWBKSA-N 2 1 302.462 2.980 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000576698428 318143864 /nfs/dbraw/zinc/14/38/64/318143864.db2.gz XKDXMSQIHQKWIO-HGKCTWBKSA-N 2 1 302.462 2.980 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000576725818 318146508 /nfs/dbraw/zinc/14/65/08/318146508.db2.gz IRKDOXBRFSQDIS-IPMKNSEASA-N 2 1 300.446 2.797 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000576875954 318156226 /nfs/dbraw/zinc/15/62/26/318156226.db2.gz NMBMTJCVKYWZAU-MRXNPFEDSA-N 2 1 302.447 2.714 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000576875954 318156228 /nfs/dbraw/zinc/15/62/28/318156228.db2.gz NMBMTJCVKYWZAU-MRXNPFEDSA-N 2 1 302.447 2.714 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+][C@H]2CCC[C@H](C(F)(F)F)C2)CC1 ZINC000577191885 318177408 /nfs/dbraw/zinc/17/74/08/318177408.db2.gz ZLZUTAPUTWHRHQ-STQMWFEESA-N 2 1 308.388 2.544 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2COc3cc(F)ccc3C2)[C@@H]2CCC[C@H]21 ZINC000577530544 318200034 /nfs/dbraw/zinc/20/00/34/318200034.db2.gz KCGHGYAVLQRCMF-LUKYLMHMSA-N 2 1 304.409 2.592 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H]3CCCC[C@H]3O)C2)[nH+]1 ZINC000578421318 318259504 /nfs/dbraw/zinc/25/95/04/318259504.db2.gz KWYQRJWUVPIEKO-YESZJQIVSA-N 2 1 303.450 2.675 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](C[C@@H]3CCCC[C@H]3O)C2)[nH+]1 ZINC000578421318 318259507 /nfs/dbraw/zinc/25/95/07/318259507.db2.gz KWYQRJWUVPIEKO-YESZJQIVSA-N 2 1 303.450 2.675 20 0 DFADMP CC(C)COc1ccc(C[NH2+]C2(CCO)CC[NH+](C)CC2)cc1 ZINC000578453274 318261963 /nfs/dbraw/zinc/26/19/63/318261963.db2.gz MLQGDXHSDSLAOB-UHFFFAOYSA-N 2 1 320.477 2.658 20 0 DFADMP CC[C@H](CNCc1nc(C)c(C)[nH]1)[N@@H+]1CCc2ccccc2C1 ZINC000578643865 318275434 /nfs/dbraw/zinc/27/54/34/318275434.db2.gz FJSAQLJZYIJUHP-GOSISDBHSA-N 2 1 312.461 2.953 20 0 DFADMP C[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)[N@H+]1CCCC[C@H]1C ZINC000578728039 318280812 /nfs/dbraw/zinc/28/08/12/318280812.db2.gz WSTVETUAIOCIJS-ZIAGYGMSSA-N 2 1 316.449 2.674 20 0 DFADMP COCCN(C)C[C@H](O)C[N@H+]1CCCCC[C@@H]1c1ccccc1 ZINC000579021904 318302534 /nfs/dbraw/zinc/30/25/34/318302534.db2.gz KJFHDRDJKGGINH-RBUKOAKNSA-N 2 1 320.477 2.543 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1C ZINC000579142922 318311038 /nfs/dbraw/zinc/31/10/38/318311038.db2.gz LUIOCILEXSEKJA-MAUKXSAKSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1ncc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n1C ZINC000579142922 318311040 /nfs/dbraw/zinc/31/10/40/318311040.db2.gz LUIOCILEXSEKJA-MAUKXSAKSA-N 2 1 312.461 2.729 20 0 DFADMP Cn1cncc1CCC[N@@H+](C)Cc1nc(-c2cccs2)no1 ZINC000579369412 318326568 /nfs/dbraw/zinc/32/65/68/318326568.db2.gz BOYNUUIZKMUGGA-UHFFFAOYSA-N 2 1 317.418 2.596 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cn1 ZINC000579646986 318344322 /nfs/dbraw/zinc/34/43/22/318344322.db2.gz AWSFHCHNRDPFLC-QGZVFWFLSA-N 2 1 304.482 2.746 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cn1 ZINC000579646986 318344323 /nfs/dbraw/zinc/34/43/23/318344323.db2.gz AWSFHCHNRDPFLC-QGZVFWFLSA-N 2 1 304.482 2.746 20 0 DFADMP CC[C@@H](O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579709702 318349109 /nfs/dbraw/zinc/34/91/09/318349109.db2.gz BEOKFHYGPSQFKW-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@@H](O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579709702 318349111 /nfs/dbraw/zinc/34/91/11/318349111.db2.gz BEOKFHYGPSQFKW-ZWKOTPCHSA-N 2 1 302.462 2.934 20 0 DFADMP COc1cc(F)c(C[N@H+]2CCC[C@@H]2Cn2ccnc2)cc1OC ZINC000579966555 318366695 /nfs/dbraw/zinc/36/66/95/318366695.db2.gz LYEYHSUJBAJYOC-CQSZACIVSA-N 2 1 319.380 2.704 20 0 DFADMP COc1cc(F)c(CN2CCC[C@@H]2Cn2ccnc2)cc1OC ZINC000579966555 318366697 /nfs/dbraw/zinc/36/66/97/318366697.db2.gz LYEYHSUJBAJYOC-CQSZACIVSA-N 2 1 319.380 2.704 20 0 DFADMP CCC[C@@H]1CCCC[C@H]1[NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000580074032 318373451 /nfs/dbraw/zinc/37/34/51/318373451.db2.gz AKFOFURFTIGAJJ-IXDOHACOSA-N 2 1 309.498 2.522 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C)n2CC)CC1 ZINC000195431996 323281679 /nfs/dbraw/zinc/28/16/79/323281679.db2.gz MXZWIEVDTPCWRP-UHFFFAOYSA-N 2 1 307.486 2.550 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C)n2CC)CC1 ZINC000195431996 323281682 /nfs/dbraw/zinc/28/16/82/323281682.db2.gz MXZWIEVDTPCWRP-UHFFFAOYSA-N 2 1 307.486 2.550 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379654582 323290251 /nfs/dbraw/zinc/29/02/51/323290251.db2.gz JAXWBAPARBHONV-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000379654582 323290254 /nfs/dbraw/zinc/29/02/54/323290254.db2.gz JAXWBAPARBHONV-QRQLOZEOSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000379654582 323290260 /nfs/dbraw/zinc/29/02/60/323290260.db2.gz JAXWBAPARBHONV-QRQLOZEOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000379654582 323290265 /nfs/dbraw/zinc/29/02/65/323290265.db2.gz JAXWBAPARBHONV-QRQLOZEOSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](C2CCN(Cc3ccccc3)CC2)C[C@@]1(C)C[NH3+] ZINC000380934363 323292591 /nfs/dbraw/zinc/29/25/91/323292591.db2.gz ILOLHCKISKIWOR-VQIMIIECSA-N 2 1 301.478 2.568 20 0 DFADMP C[C@@H]1C[N@H+](C2CCN(Cc3ccccc3)CC2)C[C@@]1(C)C[NH3+] ZINC000380934363 323292595 /nfs/dbraw/zinc/29/25/95/323292595.db2.gz ILOLHCKISKIWOR-VQIMIIECSA-N 2 1 301.478 2.568 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382719584 323301026 /nfs/dbraw/zinc/30/10/26/323301026.db2.gz KFBPHPZJVAUGHM-UYAOXDASSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382719584 323301033 /nfs/dbraw/zinc/30/10/33/323301033.db2.gz KFBPHPZJVAUGHM-UYAOXDASSA-N 3 1 315.505 2.830 20 0 DFADMP C[NH+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000382719584 323301037 /nfs/dbraw/zinc/30/10/37/323301037.db2.gz KFBPHPZJVAUGHM-UYAOXDASSA-N 3 1 315.505 2.830 20 0 DFADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382719584 323301041 /nfs/dbraw/zinc/30/10/41/323301041.db2.gz KFBPHPZJVAUGHM-UYAOXDASSA-N 2 1 315.505 2.830 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@H]1CCN(Cc2ccccc2)C1 ZINC000382719584 323301046 /nfs/dbraw/zinc/30/10/46/323301046.db2.gz KFBPHPZJVAUGHM-UYAOXDASSA-N 2 1 315.505 2.830 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CC[C@H]1CC[NH2+]C1 ZINC000382719075 323301229 /nfs/dbraw/zinc/30/12/29/323301229.db2.gz JSBZYTIQIUDRJM-ZWKOTPCHSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CCCN1CC[C@H]1CC[NH2+]C1 ZINC000382719075 323301230 /nfs/dbraw/zinc/30/12/30/323301230.db2.gz JSBZYTIQIUDRJM-ZWKOTPCHSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[C@H]1CC[NH2+]C1 ZINC000382719075 323301232 /nfs/dbraw/zinc/30/12/32/323301232.db2.gz JSBZYTIQIUDRJM-ZWKOTPCHSA-N 2 1 301.478 2.582 20 0 DFADMP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870335 323321270 /nfs/dbraw/zinc/32/12/70/323321270.db2.gz KSICQLZDDBXMDB-QRVBRYPASA-N 2 1 301.478 2.629 20 0 DFADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870335 323321272 /nfs/dbraw/zinc/32/12/72/323321272.db2.gz KSICQLZDDBXMDB-QRVBRYPASA-N 2 1 301.478 2.629 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388742183 323332573 /nfs/dbraw/zinc/33/25/73/323332573.db2.gz CKIFIDSUGZSTKR-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP C[N@@H+](CC[C@@H]1CC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388747046 323332710 /nfs/dbraw/zinc/33/27/10/323332710.db2.gz DGGIJYKREKUWSB-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3)n2)CC1 ZINC000582426095 323672078 /nfs/dbraw/zinc/67/20/78/323672078.db2.gz ZVCSKOVHPIRRBI-UHFFFAOYSA-N 2 1 302.397 2.572 20 0 DFADMP COC[C@H]([NH2+]CCCc1c[nH+]cn1C)c1ccc(F)c(F)c1 ZINC000583032709 323783516 /nfs/dbraw/zinc/78/35/16/323783516.db2.gz QJINGVXHWUEWQE-INIZCTEOSA-N 2 1 309.360 2.608 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](CN(C)Cc3ccn(C)n3)C2)s1 ZINC000584354242 336077209 /nfs/dbraw/zinc/07/72/09/336077209.db2.gz GWRBEGPEEPOXSY-HNNXBMFYSA-N 2 1 318.490 2.744 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000584408162 337319630 /nfs/dbraw/zinc/31/96/30/337319630.db2.gz YXRLNSZGMXYION-QZTJIDSGSA-N 2 1 323.525 2.911 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]1[C@@H]1CCCOC1)C[NH2+]CC2 ZINC000584475159 337346274 /nfs/dbraw/zinc/34/62/74/337346274.db2.gz WELYHAHGEUPDJQ-IEBWSBKVSA-N 2 1 300.446 2.723 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cncc(Br)c1 ZINC000584480654 337348873 /nfs/dbraw/zinc/34/88/73/337348873.db2.gz JIULAXFXIHCXPH-LLVKDONJSA-N 2 1 310.239 2.757 20 0 DFADMP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)cc(Cl)c1OC ZINC000312912958 533882687 /nfs/dbraw/zinc/88/26/87/533882687.db2.gz BNDXCDHBOLZBRR-NSHDSACASA-N 2 1 300.830 2.645 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000292800321 534201703 /nfs/dbraw/zinc/20/17/03/534201703.db2.gz NPCQJBTTWIEPFC-LJQANCHMSA-N 2 1 310.445 2.913 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000292800321 534201712 /nfs/dbraw/zinc/20/17/12/534201712.db2.gz NPCQJBTTWIEPFC-LJQANCHMSA-N 2 1 310.445 2.913 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292800321 534201716 /nfs/dbraw/zinc/20/17/16/534201716.db2.gz NPCQJBTTWIEPFC-LJQANCHMSA-N 2 1 310.445 2.913 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000292800321 534201723 /nfs/dbraw/zinc/20/17/23/534201723.db2.gz NPCQJBTTWIEPFC-LJQANCHMSA-N 2 1 310.445 2.913 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310006357 534410294 /nfs/dbraw/zinc/41/02/94/534410294.db2.gz HWTJIVUCXINUBC-LWYYNNOASA-N 2 1 314.473 2.744 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310006357 534410297 /nfs/dbraw/zinc/41/02/97/534410297.db2.gz HWTJIVUCXINUBC-LWYYNNOASA-N 2 1 314.473 2.744 20 0 DFADMP O[C@@H]1CCCC[C@@H]1[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310006357 534410303 /nfs/dbraw/zinc/41/03/03/534410303.db2.gz HWTJIVUCXINUBC-LWYYNNOASA-N 2 1 314.473 2.744 20 0 DFADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CC3)CC1)OCCCO2 ZINC000315096088 534474904 /nfs/dbraw/zinc/47/49/04/534474904.db2.gz NBMSVKWWZBXMJK-UHFFFAOYSA-N 2 1 302.418 2.564 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+][C@@H]3CCO[C@H]3C3CC3)CC2)cc1 ZINC000323234424 534487637 /nfs/dbraw/zinc/48/76/37/534487637.db2.gz CPJRMQHEWSMTAM-UXHICEINSA-N 2 1 314.473 2.851 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000367738737 520606538 /nfs/dbraw/zinc/60/65/38/520606538.db2.gz UOZGAPKLPUJTBU-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000367738737 520606544 /nfs/dbraw/zinc/60/65/44/520606544.db2.gz UOZGAPKLPUJTBU-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000367738737 520606553 /nfs/dbraw/zinc/60/65/53/520606553.db2.gz UOZGAPKLPUJTBU-HZPDHXFCSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000367738738 520608179 /nfs/dbraw/zinc/60/81/79/520608179.db2.gz UOZGAPKLPUJTBU-JKSUJKDBSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000367738738 520608189 /nfs/dbraw/zinc/60/81/89/520608189.db2.gz UOZGAPKLPUJTBU-JKSUJKDBSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000367738738 520608194 /nfs/dbraw/zinc/60/81/94/520608194.db2.gz UOZGAPKLPUJTBU-JKSUJKDBSA-N 2 1 310.482 2.772 20 0 DFADMP CC1(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)OCCCO1 ZINC000365183680 520730012 /nfs/dbraw/zinc/73/00/12/520730012.db2.gz RJCRXCKOIFAFTP-UHFFFAOYSA-N 2 1 310.482 2.774 20 0 DFADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156643997 521083499 /nfs/dbraw/zinc/08/34/99/521083499.db2.gz LMDZJKXCJFTFBP-HKUYNNGSSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156643997 521083511 /nfs/dbraw/zinc/08/35/11/521083511.db2.gz LMDZJKXCJFTFBP-HKUYNNGSSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C)C(C)C ZINC000156643997 521083518 /nfs/dbraw/zinc/08/35/18/521083518.db2.gz LMDZJKXCJFTFBP-HKUYNNGSSA-N 2 1 318.509 2.612 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000365006408 521274763 /nfs/dbraw/zinc/27/47/63/521274763.db2.gz FJKZHVISKSMAPC-AYBZRNKSSA-N 2 1 317.477 2.531 20 0 DFADMP CCOC(C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1)OCC ZINC000364915351 521631387 /nfs/dbraw/zinc/63/13/87/521631387.db2.gz OARQTTKSVBAIFU-OAHLLOKOSA-N 2 1 310.482 2.582 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(C)C ZINC000361213550 521653486 /nfs/dbraw/zinc/65/34/86/521653486.db2.gz QWLCYTPHUOYVFZ-IRXDYDNUSA-N 2 1 311.514 2.543 20 0 DFADMP C[NH+](C)C[C@@H](O)C[NH2+][C@@H](CCc1ccccc1)c1ccccc1 ZINC000154333464 521829630 /nfs/dbraw/zinc/82/96/30/521829630.db2.gz XTEHSPRGLUKNEJ-PMACEKPBSA-N 2 1 312.457 2.873 20 0 DFADMP C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365999212 522781774 /nfs/dbraw/zinc/78/17/74/522781774.db2.gz GRLDHTVDYGIZJS-HNNXBMFYSA-N 2 1 317.408 2.986 20 0 DFADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000365999212 522781781 /nfs/dbraw/zinc/78/17/81/522781781.db2.gz GRLDHTVDYGIZJS-HNNXBMFYSA-N 2 1 317.408 2.986 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)CCC[NH3+])[C@H]1c1cccc(Cl)c1 ZINC000364848650 523840884 /nfs/dbraw/zinc/84/08/84/523840884.db2.gz BOKSBQBMNJQLNC-RHSMWYFYSA-N 2 1 323.868 2.578 20 0 DFADMP COc1ccc(C)cc1[C@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128372952 523857810 /nfs/dbraw/zinc/85/78/10/523857810.db2.gz CTSVPZZPGLMBKB-KRWDZBQOSA-N 2 1 319.493 2.682 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367619525 524045617 /nfs/dbraw/zinc/04/56/17/524045617.db2.gz WTNZSARETGGDEN-QRVBRYPASA-N 2 1 318.461 2.674 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000128385934 524365380 /nfs/dbraw/zinc/36/53/80/524365380.db2.gz CFCTYCGIJGLFFD-IBGZPJMESA-N 2 1 317.521 2.933 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)c1cc2c(s1)CCC2 ZINC000158935184 525495122 /nfs/dbraw/zinc/49/51/22/525495122.db2.gz FKFBNNMKBATKOL-ZBFHGGJFSA-N 2 1 322.518 2.980 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000358247847 536481613 /nfs/dbraw/zinc/48/16/13/536481613.db2.gz ILWQBKYNYBCUPM-OIISXLGYSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H]2c2ccccc2Cl)C1 ZINC000358247847 536481616 /nfs/dbraw/zinc/48/16/16/536481616.db2.gz ILWQBKYNYBCUPM-OIISXLGYSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC000358165716 536481701 /nfs/dbraw/zinc/48/17/01/536481701.db2.gz OEAWHXGOZHZFFX-OTWHNJEPSA-N 2 1 302.462 2.759 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCCC[C@H](c3ccccc3)C2)C1 ZINC000358165716 536481704 /nfs/dbraw/zinc/48/17/04/536481704.db2.gz OEAWHXGOZHZFFX-OTWHNJEPSA-N 2 1 302.462 2.759 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H]1CCCc2c1cnn2C ZINC000163393888 527393454 /nfs/dbraw/zinc/39/34/54/527393454.db2.gz PGWFIVGSHJBPMH-INIZCTEOSA-N 2 1 301.438 2.715 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H]1CCCc2c1cnn2C ZINC000163393888 527393458 /nfs/dbraw/zinc/39/34/58/527393458.db2.gz PGWFIVGSHJBPMH-INIZCTEOSA-N 2 1 301.438 2.715 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cc1)C(C)C ZINC000299610122 528774562 /nfs/dbraw/zinc/77/45/62/528774562.db2.gz OJMFUXPOFSVAMM-OAHLLOKOSA-N 2 1 305.466 2.597 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CCO[C@@H](C(F)(F)F)C1)[NH+]1CCCC1 ZINC000315652925 529016349 /nfs/dbraw/zinc/01/63/49/529016349.db2.gz XQTWETROEOQNOK-HZSPNIEDSA-N 2 1 308.388 2.806 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000261916246 534930021 /nfs/dbraw/zinc/93/00/21/534930021.db2.gz YWDSOEFGZZTRIL-IAGOWNOFSA-N 2 1 323.525 2.865 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc3c(c2)NC(=O)CO3)CC1 ZINC000236605112 535161198 /nfs/dbraw/zinc/16/11/98/535161198.db2.gz MDIOCMOLAFOTIB-ZDUSSCGKSA-N 2 1 317.433 2.541 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2C)CC1 ZINC000262326186 535457900 /nfs/dbraw/zinc/45/79/00/535457900.db2.gz RSXBDHIGOBUQSN-UHFFFAOYSA-N 2 1 323.868 2.908 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(F)cc3)no2)CC1 ZINC000261786684 535459310 /nfs/dbraw/zinc/45/93/10/535459310.db2.gz SOZLLODRADWTIM-UHFFFAOYSA-N 2 1 318.396 2.697 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H](C(C)C)[NH+]2CCCC2)C12CCOCC2 ZINC000249009369 535506180 /nfs/dbraw/zinc/50/61/80/535506180.db2.gz OJXDFLUBRPHHGE-FGTMMUONSA-N 2 1 324.509 2.671 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252667037 535692819 /nfs/dbraw/zinc/69/28/19/535692819.db2.gz FSWNRLZHKGWATE-KGLIPLIRSA-N 2 1 308.495 2.706 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252667037 535692821 /nfs/dbraw/zinc/69/28/21/535692821.db2.gz FSWNRLZHKGWATE-KGLIPLIRSA-N 2 1 308.495 2.706 20 0 DFADMP CCOC(=O)c1coc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1 ZINC000354513685 535717641 /nfs/dbraw/zinc/71/76/41/535717641.db2.gz YWFIDTIPYQRJNX-GOOCMWNKSA-N 2 1 306.406 2.561 20 0 DFADMP CCOC(=O)c1coc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000354513685 535717646 /nfs/dbraw/zinc/71/76/46/535717646.db2.gz YWFIDTIPYQRJNX-GOOCMWNKSA-N 2 1 306.406 2.561 20 0 DFADMP CC[C@@H](O)CCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000361364468 535811102 /nfs/dbraw/zinc/81/11/02/535811102.db2.gz BZLWGKWNDPLCGA-LJQANCHMSA-N 2 1 304.478 2.834 20 0 DFADMP CC[C@@H](O)C[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000172761512 535813451 /nfs/dbraw/zinc/81/34/51/535813451.db2.gz MXVWZZJYFSSYFV-CQSZACIVSA-N 2 1 319.836 2.781 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCCc2c3ccccc3sc21 ZINC000361230697 535954485 /nfs/dbraw/zinc/95/44/85/535954485.db2.gz FRMIKPARUDPWJE-IUODEOHRSA-N 2 1 304.459 2.791 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)c1ccccc1C[NH+](C)C ZINC000362863402 536039724 /nfs/dbraw/zinc/03/97/24/536039724.db2.gz MPYKDHKSPBYZNE-QGZVFWFLSA-N 2 1 317.477 2.695 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@@H](C)C[NH+]2CCCCCC2)[C@H]1C ZINC000354643277 536319259 /nfs/dbraw/zinc/31/92/59/536319259.db2.gz FRBOJYNYXQZJOM-QAETUUGQSA-N 2 1 310.482 2.818 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@](C)(C[NH3+])C1 ZINC000261819346 536480243 /nfs/dbraw/zinc/48/02/43/536480243.db2.gz XQKFELWLOJAAME-LJQANCHMSA-N 2 1 303.494 2.815 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000262065362 536573359 /nfs/dbraw/zinc/57/33/59/536573359.db2.gz FLHYNFFXVFSACV-BPUTZDHNSA-N 2 1 304.434 2.571 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)ccc1OC(F)F ZINC000261846352 536749745 /nfs/dbraw/zinc/74/97/45/536749745.db2.gz DCDITCUBBFIOOE-LBPRGKRZSA-N 2 1 314.376 2.857 20 0 DFADMP COc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)sc2c1 ZINC000262007723 537053004 /nfs/dbraw/zinc/05/30/04/537053004.db2.gz USUBVJLUPXUPRK-FPMFFAJLSA-N 2 1 317.458 2.864 20 0 DFADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)sc2c1 ZINC000262007723 537053007 /nfs/dbraw/zinc/05/30/07/537053007.db2.gz USUBVJLUPXUPRK-FPMFFAJLSA-N 2 1 317.458 2.864 20 0 DFADMP CC[C@H](C(=O)N1C[C@H]2CCCC[N@H+]2C[C@H]1CC)[NH+](CC)CC ZINC000680868950 545555331 /nfs/dbraw/zinc/55/53/31/545555331.db2.gz BPQKYQVDAHXOBO-BRWVUGGUSA-N 2 1 309.498 2.582 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)c(C)nc2s1 ZINC000681915389 545752289 /nfs/dbraw/zinc/75/22/89/545752289.db2.gz HBXPXPCBKZTXSH-CYBMUJFWSA-N 2 1 315.446 2.561 20 0 DFADMP C[N@H+](CCc1cccc(F)c1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681928315 545755218 /nfs/dbraw/zinc/75/52/18/545755218.db2.gz ICLROSBVKOEZOZ-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1cccc(F)c1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681928315 545755225 /nfs/dbraw/zinc/75/52/25/545755225.db2.gz ICLROSBVKOEZOZ-CYBMUJFWSA-N 2 1 305.372 2.898 20 0 DFADMP Fc1ccc([C@@H](N[C@H]2CC[N@@H+](CC3CC3)C2)c2ncc[nH]2)cc1 ZINC000682132316 545802171 /nfs/dbraw/zinc/80/21/71/545802171.db2.gz BAMBEMGMVQENTO-DLBZAZTESA-N 2 1 314.408 2.712 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(O)cc3)C2)nc(C)[nH+]1 ZINC000682406274 545841244 /nfs/dbraw/zinc/84/12/44/545841244.db2.gz JOBVCVHSDLNJNV-INIZCTEOSA-N 2 1 312.417 2.558 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@H]([NH+](C)C)CC2)cc1 ZINC000683227872 545991765 /nfs/dbraw/zinc/99/17/65/545991765.db2.gz AGOPEEQAQCXIKZ-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1nc3c(s1)CCCC3)CC2 ZINC000683470686 546039881 /nfs/dbraw/zinc/03/98/81/546039881.db2.gz IYSJAIBKSFBKEJ-LBPRGKRZSA-N 2 1 302.447 2.571 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cnc(-c3ccccc3)nc1)CC2 ZINC000683473424 546040018 /nfs/dbraw/zinc/04/00/18/546040018.db2.gz UPLWHWRYCKLTEY-HNNXBMFYSA-N 2 1 319.412 2.692 20 0 DFADMP CN1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690285 546075644 /nfs/dbraw/zinc/07/56/44/546075644.db2.gz GHSWXHAGRUUNRO-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@@H+]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683690285 546075648 /nfs/dbraw/zinc/07/56/48/546075648.db2.gz GHSWXHAGRUUNRO-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@H+]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683690285 546075651 /nfs/dbraw/zinc/07/56/51/546075651.db2.gz GHSWXHAGRUUNRO-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683690285 546075653 /nfs/dbraw/zinc/07/56/53/546075653.db2.gz GHSWXHAGRUUNRO-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690285 546075657 /nfs/dbraw/zinc/07/56/57/546075657.db2.gz GHSWXHAGRUUNRO-HAGHYFMRSA-N 2 1 313.489 2.866 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+][C@H]1CCCN(Cc3ccccc3)C1)CC2 ZINC000683719757 546082056 /nfs/dbraw/zinc/08/20/56/546082056.db2.gz ACEAWSFCAWGHNU-OALUTQOASA-N 2 1 324.472 2.700 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000684366735 546201652 /nfs/dbraw/zinc/20/16/52/546201652.db2.gz ZPPFRXQQKFYUHN-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCO)CC1)[C@H](C)c1ccc(Cl)cc1 ZINC000684377888 546205327 /nfs/dbraw/zinc/20/53/27/546205327.db2.gz XKKVGTFCUPWONB-UONOGXRCSA-N 2 1 310.869 2.878 20 0 DFADMP CN(CC[N@@H+](C)Cc1cc2ccccc2[nH]1)C1CC[NH+](C)CC1 ZINC000685454749 546352693 /nfs/dbraw/zinc/35/26/93/546352693.db2.gz CXJALRVTVQYEAY-UHFFFAOYSA-N 2 1 314.477 2.626 20 0 DFADMP C[N@H+](C[C@@H]1CCn2cc[nH+]c2C1)C[C@@H]1CCOc2ccccc21 ZINC000685464976 546356343 /nfs/dbraw/zinc/35/63/43/546356343.db2.gz FXZXSEQYMNTXKW-CVEARBPZSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@@H+](C[C@@H]1CCn2cc[nH+]c2C1)C[C@@H]1CCOc2ccccc21 ZINC000685464976 546356348 /nfs/dbraw/zinc/35/63/48/546356348.db2.gz FXZXSEQYMNTXKW-CVEARBPZSA-N 2 1 311.429 2.944 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1ccc(-c2nn[nH]n2)s1)C(C)C ZINC000820115960 606425238 /nfs/dbraw/zinc/42/52/38/606425238.db2.gz CWOGSXGXNFCBNG-UHFFFAOYSA-N 2 1 322.482 2.527 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(F)nc2C)[C@H](C)C1 ZINC000278312517 214083717 /nfs/dbraw/zinc/08/37/17/214083717.db2.gz DCVSOSKBMYQKGL-RHSMWYFYSA-N 2 1 323.456 2.756 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(F)nc2C)[C@H](C)C1 ZINC000278312517 214083719 /nfs/dbraw/zinc/08/37/19/214083719.db2.gz DCVSOSKBMYQKGL-RHSMWYFYSA-N 2 1 323.456 2.756 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1 ZINC000278383617 214130832 /nfs/dbraw/zinc/13/08/32/214130832.db2.gz CLJBISUOKHRTTR-DLBZAZTESA-N 2 1 320.477 2.717 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278383617 214130835 /nfs/dbraw/zinc/13/08/35/214130835.db2.gz CLJBISUOKHRTTR-DLBZAZTESA-N 2 1 320.477 2.717 20 0 DFADMP COCCSCCC[N@@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000278541222 214223135 /nfs/dbraw/zinc/22/31/35/214223135.db2.gz SCJNBCSZXWPTMV-INIZCTEOSA-N 2 1 323.506 2.894 20 0 DFADMP COCCSCCC[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000278541222 214223136 /nfs/dbraw/zinc/22/31/36/214223136.db2.gz SCJNBCSZXWPTMV-INIZCTEOSA-N 2 1 323.506 2.894 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CC2 ZINC000278579780 214252030 /nfs/dbraw/zinc/25/20/30/214252030.db2.gz PZFBSIINQYHCJC-DNVCBOLYSA-N 2 1 318.461 2.773 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC2 ZINC000278579780 214252031 /nfs/dbraw/zinc/25/20/31/214252031.db2.gz PZFBSIINQYHCJC-DNVCBOLYSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCOc3ccccc32)CCCO1 ZINC000278608231 214272303 /nfs/dbraw/zinc/27/23/03/214272303.db2.gz RDRJGBHNUZBNMH-FUHWJXTLSA-N 2 1 318.461 2.991 20 0 DFADMP COC[C@@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000309641968 231101935 /nfs/dbraw/zinc/10/19/35/231101935.db2.gz CHTLPFALSHDCAJ-IEBWSBKVSA-N 2 1 302.462 2.913 20 0 DFADMP CCn1cncc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000309715851 231102241 /nfs/dbraw/zinc/10/22/41/231102241.db2.gz LTJFXSRHGUETFO-AEFFLSMTSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cncc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309715851 231102245 /nfs/dbraw/zinc/10/22/45/231102245.db2.gz LTJFXSRHGUETFO-AEFFLSMTSA-N 2 1 312.461 2.903 20 0 DFADMP C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000309857392 231107705 /nfs/dbraw/zinc/10/77/05/231107705.db2.gz LTOCTTDOJOJTSE-RACLHMPKSA-N 2 1 314.473 2.912 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000278736925 214365194 /nfs/dbraw/zinc/36/51/94/214365194.db2.gz MHMFVKQTJZMMNU-QZTJIDSGSA-N 2 1 320.502 2.620 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C[C@H]3CCSC3)C2)cc1 ZINC000278736925 214365197 /nfs/dbraw/zinc/36/51/97/214365197.db2.gz MHMFVKQTJZMMNU-QZTJIDSGSA-N 2 1 320.502 2.620 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000278736942 214365399 /nfs/dbraw/zinc/36/53/99/214365399.db2.gz MHMFVKQTJZMMNU-ROUUACIJSA-N 2 1 320.502 2.620 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@@H](C[NH2+]C[C@@H]3CCSC3)C2)cc1 ZINC000278736942 214365402 /nfs/dbraw/zinc/36/54/02/214365402.db2.gz MHMFVKQTJZMMNU-ROUUACIJSA-N 2 1 320.502 2.620 20 0 DFADMP C[C@H](CC[S@](C)=O)[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272849771 210245208 /nfs/dbraw/zinc/24/52/08/210245208.db2.gz SLWQBEQDMUAMFP-MUUPZMKNSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@H](CC[S@](C)=O)[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272849771 210245211 /nfs/dbraw/zinc/24/52/11/210245211.db2.gz SLWQBEQDMUAMFP-MUUPZMKNSA-N 2 1 322.518 2.644 20 0 DFADMP c1ccc(CN2CCC[N@H+](CCC3CC[NH2+]CC3)CC2)cc1 ZINC000323810042 231218696 /nfs/dbraw/zinc/21/86/96/231218696.db2.gz LELPCCMUCZFYSK-UHFFFAOYSA-N 2 1 301.478 2.584 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000591904813 398348168 /nfs/dbraw/zinc/34/81/68/398348168.db2.gz AUWODOSNRSXXRO-HLLBOEOZSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000591904813 398348171 /nfs/dbraw/zinc/34/81/71/398348171.db2.gz AUWODOSNRSXXRO-HLLBOEOZSA-N 2 1 318.465 2.618 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N2[C@H](C)CCC[C@@H]2C)C1 ZINC000591904813 398348175 /nfs/dbraw/zinc/34/81/75/398348175.db2.gz AUWODOSNRSXXRO-HLLBOEOZSA-N 2 1 318.465 2.618 20 0 DFADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905646 398348616 /nfs/dbraw/zinc/34/86/16/398348616.db2.gz FENKTGSUIOHQHH-CZUORRHYSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(CC)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905646 398348619 /nfs/dbraw/zinc/34/86/19/398348619.db2.gz FENKTGSUIOHQHH-CZUORRHYSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(CC)NC(=O)[C@@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905646 398348622 /nfs/dbraw/zinc/34/86/22/398348622.db2.gz FENKTGSUIOHQHH-CZUORRHYSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000591905009 398348690 /nfs/dbraw/zinc/34/86/90/398348690.db2.gz AVUNQFIGVGWREX-HIFRSBDPSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905009 398348692 /nfs/dbraw/zinc/34/86/92/398348692.db2.gz AVUNQFIGVGWREX-HIFRSBDPSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@@H](C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000591905009 398348695 /nfs/dbraw/zinc/34/86/95/398348695.db2.gz AVUNQFIGVGWREX-HIFRSBDPSA-N 2 1 306.454 2.522 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccccc2CNC2=[NH+]CCCN2)C1 ZINC000066243460 398364066 /nfs/dbraw/zinc/36/40/66/398364066.db2.gz JAHJEXZPTNVJPN-IYBDPMFKSA-N 2 1 314.477 2.603 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633830 398364261 /nfs/dbraw/zinc/36/42/61/398364261.db2.gz AMWURIKMUHKECS-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccccc1OCC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000081633830 398364265 /nfs/dbraw/zinc/36/42/65/398364265.db2.gz AMWURIKMUHKECS-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccccc1OCC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000081633830 398364271 /nfs/dbraw/zinc/36/42/71/398364271.db2.gz AMWURIKMUHKECS-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccccc1OCC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1 ZINC000081633830 398364272 /nfs/dbraw/zinc/36/42/72/398364272.db2.gz AMWURIKMUHKECS-KRWDZBQOSA-N 2 1 318.461 2.738 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236764907 398364778 /nfs/dbraw/zinc/36/47/78/398364778.db2.gz KBRCNLNNMJXXKG-SJLPKXTDSA-N 2 1 317.477 2.657 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081631134 398363584 /nfs/dbraw/zinc/36/35/84/398363584.db2.gz RCRRUCVIEBUZBP-QGZVFWFLSA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081631134 398363585 /nfs/dbraw/zinc/36/35/85/398363585.db2.gz RCRRUCVIEBUZBP-QGZVFWFLSA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081631134 398363589 /nfs/dbraw/zinc/36/35/89/398363589.db2.gz RCRRUCVIEBUZBP-QGZVFWFLSA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081631134 398363591 /nfs/dbraw/zinc/36/35/91/398363591.db2.gz RCRRUCVIEBUZBP-QGZVFWFLSA-N 2 1 316.445 2.637 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(N[C@H](C)C[NH+]2CCCCCC2)n1 ZINC000302403191 282200214 /nfs/dbraw/zinc/20/02/14/282200214.db2.gz LJUMPQSCURNKCV-CQSZACIVSA-N 2 1 314.437 2.647 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2nc3cc(F)ccc3n2C)[C@H](C)C1 ZINC000090043825 185279441 /nfs/dbraw/zinc/27/94/41/185279441.db2.gz RXXVIEMKHJKTKI-UKRRQHHQSA-N 2 1 318.440 2.575 20 0 DFADMP COCCC[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000092537249 185324477 /nfs/dbraw/zinc/32/44/77/185324477.db2.gz CLTZUSKMXFPRPT-UHFFFAOYSA-N 2 1 319.493 2.685 20 0 DFADMP C[N@@H+](CCCCCO)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000092820896 185343791 /nfs/dbraw/zinc/34/37/91/185343791.db2.gz NVNOAOLJFRWLAK-UHFFFAOYSA-N 2 1 305.466 2.783 20 0 DFADMP CO[C@@H](c1ccccc1Cl)[C@H](C)[NH2+]CCc1c[nH+]cn1C ZINC000459396940 299096067 /nfs/dbraw/zinc/09/60/67/299096067.db2.gz IVFFJXDOZUZKMR-BLLLJJGKSA-N 2 1 307.825 2.982 20 0 DFADMP Cn1cncc1CCCN1CCN(c2ccccc2Cl)CC1 ZINC000584728059 398403523 /nfs/dbraw/zinc/40/35/23/398403523.db2.gz BAMLJDSIUWOWFM-UHFFFAOYSA-N 2 1 318.852 2.828 20 0 DFADMP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000067222748 398424135 /nfs/dbraw/zinc/42/41/35/398424135.db2.gz FZSDJUCRVBVXAB-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)C1 ZINC000067222748 398424139 /nfs/dbraw/zinc/42/41/39/398424139.db2.gz FZSDJUCRVBVXAB-GJZGRUSLSA-N 2 1 318.461 2.840 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000592433641 398425643 /nfs/dbraw/zinc/42/56/43/398425643.db2.gz MXIPKGDRKKNXKN-MSOLQXFVSA-N 2 1 316.445 2.685 20 0 DFADMP CC(C)[C@@H]1CCCC[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000261423445 398428729 /nfs/dbraw/zinc/42/87/29/398428729.db2.gz ILQYLGBGSLNMRA-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H]1CCCC[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000261423445 398428731 /nfs/dbraw/zinc/42/87/31/398428731.db2.gz ILQYLGBGSLNMRA-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000261423445 398428732 /nfs/dbraw/zinc/42/87/32/398428732.db2.gz ILQYLGBGSLNMRA-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@@H]1CCCC[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000261423445 398428734 /nfs/dbraw/zinc/42/87/34/398428734.db2.gz ILQYLGBGSLNMRA-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@@H]2CCC[C@@H]21 ZINC000592403451 398422894 /nfs/dbraw/zinc/42/28/94/398422894.db2.gz LIJUSRPYDSGXEI-QEOTZNIISA-N 2 1 322.493 2.959 20 0 DFADMP c1cc(N2CCC(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000089215676 398444235 /nfs/dbraw/zinc/44/42/35/398444235.db2.gz CIFIIIGWDDLLCC-PKOBYXMFSA-N 3 1 314.477 2.514 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459440732 299108145 /nfs/dbraw/zinc/10/81/45/299108145.db2.gz AAYLKOGJOYTZHQ-HNNXBMFYSA-N 2 1 302.466 2.812 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459440732 299108148 /nfs/dbraw/zinc/10/81/48/299108148.db2.gz AAYLKOGJOYTZHQ-HNNXBMFYSA-N 2 1 302.466 2.812 20 0 DFADMP CN(CC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459445834 299108993 /nfs/dbraw/zinc/10/89/93/299108993.db2.gz NOISVHVSCZFSGP-SFHVURJKSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459455699 299110095 /nfs/dbraw/zinc/11/00/95/299110095.db2.gz DEGIYJJULJTGML-MISYRCLQSA-N 2 1 313.489 2.820 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043498 530065095 /nfs/dbraw/zinc/06/50/95/530065095.db2.gz SOTMEHQCTUPZNR-MSOLQXFVSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043498 530065096 /nfs/dbraw/zinc/06/50/96/530065096.db2.gz SOTMEHQCTUPZNR-MSOLQXFVSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043498 530065097 /nfs/dbraw/zinc/06/50/97/530065097.db2.gz SOTMEHQCTUPZNR-MSOLQXFVSA-N 2 1 322.880 2.661 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cncs1 ZINC000272743150 210147452 /nfs/dbraw/zinc/14/74/52/210147452.db2.gz LJVGOFFNSOIEJK-BBRMVZONSA-N 2 1 317.458 2.561 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1cncs1 ZINC000272743150 210147456 /nfs/dbraw/zinc/14/74/56/210147456.db2.gz LJVGOFFNSOIEJK-BBRMVZONSA-N 2 1 317.458 2.561 20 0 DFADMP COC(=O)c1cc([C@H](C)N2CC[C@@]3(C2)CCC[N@@H+](C)C3)oc1C ZINC000292893464 398487144 /nfs/dbraw/zinc/48/71/44/398487144.db2.gz GBKCYVFEWMYNPI-UGSOOPFHSA-N 2 1 320.433 2.853 20 0 DFADMP COC[C@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)C1CC1 ZINC000090716427 398492074 /nfs/dbraw/zinc/49/20/74/398492074.db2.gz SFENRNQBONSZNL-IBGZPJMESA-N 2 1 320.452 2.847 20 0 DFADMP OC[C@@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccc(F)cc1 ZINC000459517501 299123814 /nfs/dbraw/zinc/12/38/14/299123814.db2.gz WYBBWHLKUYVREW-OALUTQOASA-N 2 1 318.436 2.508 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000090888339 398495614 /nfs/dbraw/zinc/49/56/14/398495614.db2.gz MRFIWIQJUJYEBP-PBHICJAKSA-N 2 1 306.450 2.566 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000302907810 398496090 /nfs/dbraw/zinc/49/60/90/398496090.db2.gz YAPGZLFIAGRORG-VQTJNVASSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000302907810 398496092 /nfs/dbraw/zinc/49/60/92/398496092.db2.gz YAPGZLFIAGRORG-VQTJNVASSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CN[C@@H]2CCC[NH+](Cc3ccccc3)C2)C1 ZINC000302907810 398496096 /nfs/dbraw/zinc/49/60/96/398496096.db2.gz YAPGZLFIAGRORG-VQTJNVASSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000302907810 398496098 /nfs/dbraw/zinc/49/60/98/398496098.db2.gz YAPGZLFIAGRORG-VQTJNVASSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[NH+]1CC[C@@H](CN[C@@H]2CCC[N@@H+](Cc3ccccc3)C2)C1 ZINC000302907810 398496101 /nfs/dbraw/zinc/49/61/01/398496101.db2.gz YAPGZLFIAGRORG-VQTJNVASSA-N 2 1 315.505 2.971 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090937568 398496428 /nfs/dbraw/zinc/49/64/28/398496428.db2.gz FYQASLQRXSLKNB-IXDOHACOSA-N 2 1 318.461 2.927 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090937566 398496601 /nfs/dbraw/zinc/49/66/01/398496601.db2.gz FYQASLQRXSLKNB-BRWVUGGUSA-N 2 1 318.461 2.927 20 0 DFADMP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(OC2CCC2)n1 ZINC000090911856 398497015 /nfs/dbraw/zinc/49/70/15/398497015.db2.gz BWRIAZCLBXJJRN-HZPDHXFCSA-N 2 1 301.434 2.729 20 0 DFADMP c1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc(OC2CCC2)n1 ZINC000090911856 398497019 /nfs/dbraw/zinc/49/70/19/398497019.db2.gz BWRIAZCLBXJJRN-HZPDHXFCSA-N 2 1 301.434 2.729 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)[C@H]1OCCc2sccc21 ZINC000459556730 299133503 /nfs/dbraw/zinc/13/35/03/299133503.db2.gz KGJOYWLHSXBUNM-YVEFUNNKSA-N 2 1 306.475 2.967 20 0 DFADMP [NH3+]CCC[NH+]1CCN(CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000032155142 398526363 /nfs/dbraw/zinc/52/63/63/398526363.db2.gz QGKQPCJTGCZTNQ-UHFFFAOYSA-N 2 1 316.276 2.502 20 0 DFADMP [NH3+]CCCN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000032155142 398526366 /nfs/dbraw/zinc/52/63/66/398526366.db2.gz QGKQPCJTGCZTNQ-UHFFFAOYSA-N 2 1 316.276 2.502 20 0 DFADMP CCOc1cc(C[N@H+](C)CCCn2cc[nH+]c2C)ccc1O ZINC000459570391 299137015 /nfs/dbraw/zinc/13/70/15/299137015.db2.gz ZXLKJLCCHHHODK-UHFFFAOYSA-N 2 1 303.406 2.818 20 0 DFADMP CCOc1cc(C[N@@H+](C)CCCn2cc[nH+]c2C)ccc1O ZINC000459570391 299137018 /nfs/dbraw/zinc/13/70/18/299137018.db2.gz ZXLKJLCCHHHODK-UHFFFAOYSA-N 2 1 303.406 2.818 20 0 DFADMP CC[NH+](CC)CCCN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000279720667 215091888 /nfs/dbraw/zinc/09/18/88/215091888.db2.gz LQQRUTXNWYEETE-LJQANCHMSA-N 2 1 318.509 2.567 20 0 DFADMP CCc1oc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C(=O)OC ZINC000589206523 398538584 /nfs/dbraw/zinc/53/85/84/398538584.db2.gz PFZXNGJMQLSYKC-CJNGLKHVSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1C(=O)OC ZINC000589206523 398538589 /nfs/dbraw/zinc/53/85/89/398538589.db2.gz PFZXNGJMQLSYKC-CJNGLKHVSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1C(=O)OC ZINC000589206523 398538591 /nfs/dbraw/zinc/53/85/91/398538591.db2.gz PFZXNGJMQLSYKC-CJNGLKHVSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1C(=O)OC ZINC000589206523 398538596 /nfs/dbraw/zinc/53/85/96/398538596.db2.gz PFZXNGJMQLSYKC-CJNGLKHVSA-N 2 1 320.433 2.545 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)[C@@H]2CCC[N@H+]2C2CC2)c1 ZINC000279752187 215114870 /nfs/dbraw/zinc/11/48/70/215114870.db2.gz DBGXQADBMJBJHT-KRWDZBQOSA-N 2 1 301.434 2.622 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CC[N@@H+](C(C)C)C2)cc(OC)c1OC ZINC000320946793 398550472 /nfs/dbraw/zinc/55/04/72/398550472.db2.gz FMCCHKBKGLINAO-CQSZACIVSA-N 2 1 322.449 2.532 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc(OC)c1OC ZINC000320946793 398550474 /nfs/dbraw/zinc/55/04/74/398550474.db2.gz FMCCHKBKGLINAO-CQSZACIVSA-N 2 1 322.449 2.532 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCC(C)CC2)cc1F ZINC000597044294 398553812 /nfs/dbraw/zinc/55/38/12/398553812.db2.gz SNLCPPYHVFJKGB-UHFFFAOYSA-N 2 1 322.424 2.824 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000597051658 398556608 /nfs/dbraw/zinc/55/66/08/398556608.db2.gz WJGSRTFMNSAIDR-CYBMUJFWSA-N 2 1 322.836 2.701 20 0 DFADMP Cc1ccc(Cl)cc1N1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000039448446 398559244 /nfs/dbraw/zinc/55/92/44/398559244.db2.gz LVLGAFZWAKMQOB-HNNXBMFYSA-N 2 1 307.869 2.770 20 0 DFADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000323835434 398561535 /nfs/dbraw/zinc/56/15/35/398561535.db2.gz ROCRYRSEYDXDMQ-SJLPKXTDSA-N 2 1 309.457 2.880 20 0 DFADMP C[NH+](C)CCOc1cccc(C[NH2+]Cc2ccc3nc[nH]c3c2)c1 ZINC000589641652 398567578 /nfs/dbraw/zinc/56/75/78/398567578.db2.gz WDDXRQXJDHAQNW-UHFFFAOYSA-N 2 1 324.428 2.793 20 0 DFADMP Cc1cc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)ccc1C(F)(F)F ZINC000414320272 295788002 /nfs/dbraw/zinc/78/80/02/295788002.db2.gz SFDKLPZVXQIQDR-AWEZNQCLSA-N 2 1 316.367 2.560 20 0 DFADMP Cc1ncc(C[N@@H+]2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)n1C ZINC000597154138 398576547 /nfs/dbraw/zinc/57/65/47/398576547.db2.gz OXNFPHXAXLQGTK-OCCSQVGLSA-N 2 1 307.438 2.671 20 0 DFADMP Cc1ncc(CN2C[C@@H](C(=O)OC(C)(C)C)CC[C@H]2C)n1C ZINC000597154138 398576550 /nfs/dbraw/zinc/57/65/50/398576550.db2.gz OXNFPHXAXLQGTK-OCCSQVGLSA-N 2 1 307.438 2.671 20 0 DFADMP C[NH+](C/C=C\C[N@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000340171849 398578776 /nfs/dbraw/zinc/57/87/76/398578776.db2.gz MUANJHOPPBUWCP-SLXDBMQSSA-N 2 1 310.482 2.544 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000590126605 398599361 /nfs/dbraw/zinc/59/93/61/398599361.db2.gz QBFSKWOYEAPHOD-RTWAWAEBSA-N 2 1 324.468 2.969 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)C1 ZINC000590126605 398599365 /nfs/dbraw/zinc/59/93/65/398599365.db2.gz QBFSKWOYEAPHOD-RTWAWAEBSA-N 2 1 324.468 2.969 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)C1 ZINC000590126605 398599367 /nfs/dbraw/zinc/59/93/67/398599367.db2.gz QBFSKWOYEAPHOD-RTWAWAEBSA-N 2 1 324.468 2.969 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)C1 ZINC000590126605 398599370 /nfs/dbraw/zinc/59/93/70/398599370.db2.gz QBFSKWOYEAPHOD-RTWAWAEBSA-N 2 1 324.468 2.969 20 0 DFADMP COC(=O)c1cc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000597256184 398608257 /nfs/dbraw/zinc/60/82/57/398608257.db2.gz LXDFJKMBZOBPRG-OAHLLOKOSA-N 2 1 320.433 2.586 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)o1 ZINC000597256184 398608262 /nfs/dbraw/zinc/60/82/62/398608262.db2.gz LXDFJKMBZOBPRG-OAHLLOKOSA-N 2 1 320.433 2.586 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)o1 ZINC000597256184 398608268 /nfs/dbraw/zinc/60/82/68/398608268.db2.gz LXDFJKMBZOBPRG-OAHLLOKOSA-N 2 1 320.433 2.586 20 0 DFADMP COc1ccc([C@H](C)[C@@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000280009526 215309697 /nfs/dbraw/zinc/30/96/97/215309697.db2.gz SKJSQTMFGIJJTG-ZIAGYGMSSA-N 2 1 306.450 2.880 20 0 DFADMP Cc1ccc(NC(=O)NC2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c(C)n1 ZINC000152429047 186071788 /nfs/dbraw/zinc/07/17/88/186071788.db2.gz QWSGLVVWJLUFDQ-GOOCMWNKSA-N 2 1 302.422 2.835 20 0 DFADMP OCCCC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000194226174 186270374 /nfs/dbraw/zinc/27/03/74/186270374.db2.gz WIJMHSOQMFLVGN-OTWHNJEPSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2cccs2)C1 ZINC000459723047 299172306 /nfs/dbraw/zinc/17/23/06/299172306.db2.gz CJSQGKNCLKSVDR-ZDUSSCGKSA-N 2 1 304.463 2.960 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459725037 299173355 /nfs/dbraw/zinc/17/33/55/299173355.db2.gz FNRVPNAOSJOUDT-GJZGRUSLSA-N 2 1 321.440 2.864 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459725034 299173333 /nfs/dbraw/zinc/17/33/33/299173333.db2.gz FNRVPNAOSJOUDT-CABCVRRESA-N 2 1 321.440 2.864 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)s1 ZINC000459732061 299175415 /nfs/dbraw/zinc/17/54/15/299175415.db2.gz LZTXTJTXXWIIGY-CQSZACIVSA-N 2 1 310.511 2.811 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000280046103 215337182 /nfs/dbraw/zinc/33/71/82/215337182.db2.gz JGMZKSIPPUIARK-FPAYPSAMSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000280046103 215337184 /nfs/dbraw/zinc/33/71/84/215337184.db2.gz JGMZKSIPPUIARK-FPAYPSAMSA-N 2 1 302.462 2.912 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)cn2)C1 ZINC000459737433 299177157 /nfs/dbraw/zinc/17/71/57/299177157.db2.gz RFWCNUSTIUKODV-LBPRGKRZSA-N 2 1 312.255 2.666 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414826825 295823131 /nfs/dbraw/zinc/82/31/31/295823131.db2.gz JRJNIRKTHPOYHP-SJPCQFCGSA-N 2 1 314.408 2.692 20 0 DFADMP C[C@@H]([NH2+]Cc1csc(Br)c1)[C@H]1CCC[NH2+]C1 ZINC000414843457 295825173 /nfs/dbraw/zinc/82/51/73/295825173.db2.gz CAKDAFVRLFSXHW-KOLCDFICSA-N 2 1 303.269 2.988 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CCCCC1 ZINC000414837988 295824692 /nfs/dbraw/zinc/82/46/92/295824692.db2.gz HXCADYAAOCSCNJ-UHFFFAOYSA-N 2 1 302.447 2.956 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2CCC[NH2+]2)cc1Cl ZINC000414853765 295826302 /nfs/dbraw/zinc/82/63/02/295826302.db2.gz YBYWHXBFKRWHPM-GXTWGEPZSA-N 2 1 309.841 2.707 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000414860374 295827344 /nfs/dbraw/zinc/82/73/44/295827344.db2.gz POARRSWQXBEXPP-OAHLLOKOSA-N 2 1 312.841 2.597 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000459744042 299180167 /nfs/dbraw/zinc/18/01/67/299180167.db2.gz XPFQQAPOKPFJJC-ZFWWWQNUSA-N 2 1 309.479 2.816 20 0 DFADMP Clc1sc(C[NH2+]C[C@@H]2CC[NH2+]C2)cc1Br ZINC000414898178 295832025 /nfs/dbraw/zinc/83/20/25/295832025.db2.gz AUNQQKJGMDSOBI-SSDOTTSWSA-N 2 1 309.660 2.863 20 0 DFADMP COc1ccc(C[NH2+]C[C@@]2(C)CCC[NH2+]C2)c(Cl)c1OC ZINC000414900793 295832297 /nfs/dbraw/zinc/83/22/97/295832297.db2.gz JBNMBYMTGHPEEN-INIZCTEOSA-N 2 1 312.841 2.837 20 0 DFADMP [NH3+][C@H](C[NH2+]Cc1ccc(OCC(F)(F)F)c(F)c1)C1CC1 ZINC000414895470 295831700 /nfs/dbraw/zinc/83/17/00/295831700.db2.gz XNSVTBIJTWAOGY-GFCCVEGCSA-N 2 1 306.303 2.594 20 0 DFADMP [NH3+][C@@H](C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C1CC1 ZINC000414895821 295831782 /nfs/dbraw/zinc/83/17/82/295831782.db2.gz ZVZNQQWYVGRGOB-AWEZNQCLSA-N 2 1 324.350 2.922 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@H]1CCC[NH2+]CC1)O[C@H](C)C2 ZINC000414920195 295835114 /nfs/dbraw/zinc/83/51/14/295835114.db2.gz XCIZHRZHMKRJQS-CJNGLKHVSA-N 2 1 304.434 2.640 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414945713 295838582 /nfs/dbraw/zinc/83/85/82/295838582.db2.gz ISWPZENGYNIWOW-DGCLKSJQSA-N 2 1 312.841 2.977 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414950686 295839509 /nfs/dbraw/zinc/83/95/09/295839509.db2.gz GHMGDQKUHSMWIW-MFKMUULPSA-N 2 1 313.239 2.545 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)c(Br)c2)CC[NH2+]1 ZINC000414946775 295838847 /nfs/dbraw/zinc/83/88/47/295838847.db2.gz KCSKDRSXWUKRAW-MWLCHTKSSA-N 2 1 301.203 2.818 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OC ZINC000414956668 295840723 /nfs/dbraw/zinc/84/07/23/295840723.db2.gz NQXOZQDXFIJDRN-BXUZGUMPSA-N 2 1 312.841 2.835 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc1OC(F)F ZINC000414962731 295841540 /nfs/dbraw/zinc/84/15/40/295841540.db2.gz ZWSSPGVFLGXZLV-CMPLNLGQSA-N 2 1 300.349 2.527 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N(C)c2ccccc2)CC1 ZINC000590786524 398673813 /nfs/dbraw/zinc/67/38/13/398673813.db2.gz FRMUWGXCUBGYLT-UHFFFAOYSA-N 2 1 317.477 2.702 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)s1 ZINC000593734048 398678986 /nfs/dbraw/zinc/67/89/86/398678986.db2.gz SCLMNGSFAJVBQP-BXUZGUMPSA-N 2 1 310.463 2.792 20 0 DFADMP C[C@H]1CCc2nc(C[NH2+]C[C@@H]3CC[NH2+]CC3(F)F)sc2C1 ZINC000415006648 295846634 /nfs/dbraw/zinc/84/66/34/295846634.db2.gz QKOLFPMIDUQSOE-QWRGUYRKSA-N 2 1 315.433 2.602 20 0 DFADMP CN(C[C@@H]1CC[N@@H+](C)C1)C(=O)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC000073424012 398680280 /nfs/dbraw/zinc/68/02/80/398680280.db2.gz JCMURDDVUQWOIM-OAHLLOKOSA-N 2 1 324.428 2.849 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000415015561 295847622 /nfs/dbraw/zinc/84/76/22/295847622.db2.gz OGDNHGSUUGJNFN-QGZVFWFLSA-N 3 1 303.494 2.801 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859243 191242891 /nfs/dbraw/zinc/24/28/91/191242891.db2.gz FGZUJLBZGMMADS-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859243 191242895 /nfs/dbraw/zinc/24/28/95/191242895.db2.gz FGZUJLBZGMMADS-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000072859243 191242897 /nfs/dbraw/zinc/24/28/97/191242897.db2.gz FGZUJLBZGMMADS-AWEZNQCLSA-N 2 1 323.868 2.942 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@H+](CCC(=O)OCc2ccccc2)CC1 ZINC000277152561 213329746 /nfs/dbraw/zinc/32/97/46/213329746.db2.gz JSWWSYRPJLVXMK-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCC(=O)OCc2ccccc2)CC1 ZINC000277152561 213329748 /nfs/dbraw/zinc/32/97/48/213329748.db2.gz JSWWSYRPJLVXMK-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2cnc(C(F)(F)F)s2)C1 ZINC000459794937 299195033 /nfs/dbraw/zinc/19/50/33/299195033.db2.gz VBOAZXLLAAUXRA-JTQLQIEISA-N 2 1 307.385 2.983 20 0 DFADMP COc1ccc(Br)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000401792455 398687987 /nfs/dbraw/zinc/68/79/87/398687987.db2.gz HSFRSIWIYKDAPB-UHFFFAOYSA-N 2 1 324.222 2.524 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(Br)c1F ZINC000401659721 398688604 /nfs/dbraw/zinc/68/86/04/398688604.db2.gz WUYFVXKHWXGZMS-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@@H](C)C[C@H]1CCC[NH2+]1 ZINC000415082009 295855627 /nfs/dbraw/zinc/85/56/27/295855627.db2.gz LEGHOTIRXNNSPP-DOTOQJQBSA-N 2 1 306.450 2.640 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000173898858 198266383 /nfs/dbraw/zinc/26/63/83/198266383.db2.gz OSSMKEMNSYJNTQ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@@H](C[NH+](C)CC)C2)cc1 ZINC000173898858 198266385 /nfs/dbraw/zinc/26/63/85/198266385.db2.gz OSSMKEMNSYJNTQ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@@H](C[N@H+](C)CC)C2)cc1 ZINC000173898858 198266387 /nfs/dbraw/zinc/26/63/87/198266387.db2.gz OSSMKEMNSYJNTQ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@@H](C[N@@H+](C)CC)C2)cc1 ZINC000173898858 198266389 /nfs/dbraw/zinc/26/63/89/198266389.db2.gz OSSMKEMNSYJNTQ-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP COc1ccc([N+](=O)[O-])cc1C[N@@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404361327 398691448 /nfs/dbraw/zinc/69/14/48/398691448.db2.gz FJDAIFXIFMBXAR-IUODEOHRSA-N 2 1 307.394 2.553 20 0 DFADMP COc1ccc([N+](=O)[O-])cc1C[N@H+]1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404361327 398691454 /nfs/dbraw/zinc/69/14/54/398691454.db2.gz FJDAIFXIFMBXAR-IUODEOHRSA-N 2 1 307.394 2.553 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+]Cc2ccc(CO)o2)c1 ZINC000174312954 198318094 /nfs/dbraw/zinc/31/80/94/198318094.db2.gz TYGDLCDDBNALJV-UHFFFAOYSA-N 2 1 302.418 2.902 20 0 DFADMP C(c1noc2c1CCCC2)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000108860971 398715968 /nfs/dbraw/zinc/71/59/68/398715968.db2.gz IDZDCTIFBYXKBI-UHFFFAOYSA-N 2 1 303.450 2.861 20 0 DFADMP CCCNC(=O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000129934857 283033748 /nfs/dbraw/zinc/03/37/48/283033748.db2.gz JYJXSNUAPLAEKP-CQSZACIVSA-N 2 1 314.433 2.748 20 0 DFADMP CCCN(C(=O)[C@H]([NH3+])CC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000130366766 283047200 /nfs/dbraw/zinc/04/72/00/283047200.db2.gz CLEAVZRENVQVSR-ZWKOTPCHSA-N 2 1 317.477 2.627 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@H]2CCSC2)CC1 ZINC000130597210 283053688 /nfs/dbraw/zinc/05/36/88/283053688.db2.gz HZNUDVYNUMJMMR-KRWDZBQOSA-N 2 1 319.518 2.766 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)[C@@H]2CCSC2)CC1 ZINC000130597002 283053661 /nfs/dbraw/zinc/05/36/61/283053661.db2.gz HZNUDVYNUMJMMR-QGZVFWFLSA-N 2 1 319.518 2.766 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](CC)C1CC1)c1ccccc1 ZINC000130700083 283058075 /nfs/dbraw/zinc/05/80/75/283058075.db2.gz CMBYDJREODXVSR-GOSISDBHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CCCC[C@H]2C[NH3+])cc1)C1CC1 ZINC000131111745 283072183 /nfs/dbraw/zinc/07/21/83/283072183.db2.gz KTZAJUQARKQESA-SFHVURJKSA-N 2 1 315.461 2.624 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[N@H+](C(C)(C)C)CC1)[NH+]1CCCCC1 ZINC000591163907 398735078 /nfs/dbraw/zinc/73/50/78/398735078.db2.gz XZCZQYCOMUMOQD-QGZVFWFLSA-N 2 1 323.525 2.830 20 0 DFADMP CC(C)[NH2+]C1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000462809928 299230871 /nfs/dbraw/zinc/23/08/71/299230871.db2.gz JPHPDBFLJHAJCM-UHFFFAOYSA-N 2 1 305.470 2.633 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+](C)C2CCCC2)o1 ZINC000591321721 398748774 /nfs/dbraw/zinc/74/87/74/398748774.db2.gz LVUHRVOQWWYRRI-UHFFFAOYSA-N 2 1 321.465 2.726 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000462948776 299234176 /nfs/dbraw/zinc/23/41/76/299234176.db2.gz ZGRVQGVXUICZBL-HNNXBMFYSA-N 2 1 319.497 2.834 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc(C(C)C)[nH+]c(N(C)C)n2)C1 ZINC000462948776 299234179 /nfs/dbraw/zinc/23/41/79/299234179.db2.gz ZGRVQGVXUICZBL-HNNXBMFYSA-N 2 1 319.497 2.834 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)CCC[NH3+])c1 ZINC000236828182 202028050 /nfs/dbraw/zinc/02/80/50/202028050.db2.gz BKVQFXVJQUPWCS-UHFFFAOYSA-N 2 1 300.406 2.732 20 0 DFADMP CCO[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000119030731 398774072 /nfs/dbraw/zinc/77/40/72/398774072.db2.gz RNOOWJOBTKSEML-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](OCC)C2)C1 ZINC000119030731 398774075 /nfs/dbraw/zinc/77/40/75/398774075.db2.gz RNOOWJOBTKSEML-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CCO[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](OCC)C2)C1 ZINC000119030731 398774076 /nfs/dbraw/zinc/77/40/76/398774076.db2.gz RNOOWJOBTKSEML-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@@]1(C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)CCC[NH2+]1 ZINC000134577455 283192974 /nfs/dbraw/zinc/19/29/74/283192974.db2.gz DTFIBWMINNJROL-IBGZPJMESA-N 2 1 321.509 2.633 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2ccc([C@@H]3C[C@H]3C)o2)CC1 ZINC000236940756 202082101 /nfs/dbraw/zinc/08/21/01/202082101.db2.gz ZALVROPWCZQSRI-SJLPKXTDSA-N 2 1 319.493 2.910 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000236916724 202070890 /nfs/dbraw/zinc/07/08/90/202070890.db2.gz URJQHQIZXSFICQ-MRXNPFEDSA-N 2 1 323.868 2.502 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000236916724 202070893 /nfs/dbraw/zinc/07/08/93/202070893.db2.gz URJQHQIZXSFICQ-MRXNPFEDSA-N 2 1 323.868 2.502 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2ccnc2)c1 ZINC000151330147 283281301 /nfs/dbraw/zinc/28/13/01/283281301.db2.gz WFKFVUFHWANSGD-GPMSIDNRSA-N 3 1 312.461 2.750 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H](C)Cn1cc[nH+]c1C)CC2 ZINC000179023276 198970633 /nfs/dbraw/zinc/97/06/33/198970633.db2.gz GTKNECLZDDXUDD-RDTXWAMCSA-N 2 1 313.445 2.983 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@@H+](C)C[C@@H]1C)Cc1ccccc1 ZINC000151726002 283294328 /nfs/dbraw/zinc/29/43/28/283294328.db2.gz KOPGFZBUEQWKOH-YSIASYRMSA-N 2 1 317.521 2.869 20 0 DFADMP CC[C@@H](C(=O)OC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394432 199028146 /nfs/dbraw/zinc/02/81/46/199028146.db2.gz UKXKLOZICJWJGC-KRWDZBQOSA-N 2 1 319.449 2.572 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3CCn4cncc4C3)c2C1 ZINC000152065914 283307914 /nfs/dbraw/zinc/30/79/14/283307914.db2.gz HKERJHUTFZSTJY-AWEZNQCLSA-N 2 1 324.428 2.810 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3CCn4cncc4C3)c2C1 ZINC000152065914 283307917 /nfs/dbraw/zinc/30/79/17/283307917.db2.gz HKERJHUTFZSTJY-AWEZNQCLSA-N 2 1 324.428 2.810 20 0 DFADMP Cc1cc(C[NH+]2CCC([NH2+]C(C)C)CC2)ccc1-n1cncn1 ZINC000179832033 199086187 /nfs/dbraw/zinc/08/61/87/199086187.db2.gz PNRWESCZUUDIMN-UHFFFAOYSA-N 2 1 313.449 2.538 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000276688061 213047672 /nfs/dbraw/zinc/04/76/72/213047672.db2.gz UICUGGZLMUSZQG-LULLPPNCSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000276688061 213047675 /nfs/dbraw/zinc/04/76/75/213047675.db2.gz UICUGGZLMUSZQG-LULLPPNCSA-N 2 1 302.462 2.790 20 0 DFADMP CCC[C@H](O)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180139118 199121871 /nfs/dbraw/zinc/12/18/71/199121871.db2.gz NDHVIYILBLJWHH-IPQPSQTFSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H](CCCO)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000180163450 199125244 /nfs/dbraw/zinc/12/52/44/199125244.db2.gz SLVJVFQQFYZMGG-BPIHKTFHSA-N 2 1 302.462 2.933 20 0 DFADMP COCC[C@H](C)[NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180162858 199125482 /nfs/dbraw/zinc/12/54/82/199125482.db2.gz TWIBGGAABZRWFV-WNHJNPCNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCCOCCOCc2ccccc2)CC[N@H+]1C ZINC000180231693 199133896 /nfs/dbraw/zinc/13/38/96/199133896.db2.gz DKPMOLWIJGSOEV-MJGOQNOKSA-N 2 1 320.477 2.682 20 0 DFADMP CCOC(=O)c1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)o1 ZINC000594736827 398852674 /nfs/dbraw/zinc/85/26/74/398852674.db2.gz WNRMVDHUTRVZQD-HNNXBMFYSA-N 2 1 320.433 2.668 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000594926854 398872878 /nfs/dbraw/zinc/87/28/78/398872878.db2.gz WJNLUTGISNAPDS-DMRKSPOLSA-N 2 1 310.482 2.532 20 0 DFADMP COc1cc(C)c([C@@H](C)[NH2+]CCc2c[nH+]cn2C)cc1OC ZINC000276641336 213018450 /nfs/dbraw/zinc/01/84/50/213018450.db2.gz KVLGCSXLUIVJGJ-CYBMUJFWSA-N 2 1 303.406 2.639 20 0 DFADMP CC[N@@H+](CCC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC)C1CCCCC1 ZINC000594944685 398878295 /nfs/dbraw/zinc/87/82/95/398878295.db2.gz BCLCFDXBWCIUOW-OIISXLGYSA-N 2 1 310.482 2.818 20 0 DFADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)o1 ZINC000180995887 199238521 /nfs/dbraw/zinc/23/85/21/199238521.db2.gz ILYMPQCIGPYESL-QGZVFWFLSA-N 2 1 314.429 2.698 20 0 DFADMP CCc1ccc(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)o1 ZINC000180995887 199238522 /nfs/dbraw/zinc/23/85/22/199238522.db2.gz ILYMPQCIGPYESL-QGZVFWFLSA-N 2 1 314.429 2.698 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3cccc(C)c3)C2)CC1 ZINC000181103581 199253208 /nfs/dbraw/zinc/25/32/08/199253208.db2.gz BYHFDIPWULYVEP-HXUWFJFHSA-N 2 1 315.505 2.639 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173948615 283391067 /nfs/dbraw/zinc/39/10/67/283391067.db2.gz SKKDDVKWBBHVQR-KRWDZBQOSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173948615 283391069 /nfs/dbraw/zinc/39/10/69/283391069.db2.gz SKKDDVKWBBHVQR-KRWDZBQOSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173948615 283391072 /nfs/dbraw/zinc/39/10/72/283391072.db2.gz SKKDDVKWBBHVQR-KRWDZBQOSA-N 2 1 304.434 2.779 20 0 DFADMP COC(=O)c1ccc(C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173948615 283391074 /nfs/dbraw/zinc/39/10/74/283391074.db2.gz SKKDDVKWBBHVQR-KRWDZBQOSA-N 2 1 304.434 2.779 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]CCC[N@H+](C)C(C)C)c1C ZINC000598955866 398896860 /nfs/dbraw/zinc/89/68/60/398896860.db2.gz OBBSWYIMDXPMJL-UHFFFAOYSA-N 2 1 309.454 2.628 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]CCC[N@@H+](C)C(C)C)c1C ZINC000598955866 398896863 /nfs/dbraw/zinc/89/68/63/398896863.db2.gz OBBSWYIMDXPMJL-UHFFFAOYSA-N 2 1 309.454 2.628 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000598957424 398897096 /nfs/dbraw/zinc/89/70/96/398897096.db2.gz RZSNLXKNVLKJTF-OAHLLOKOSA-N 2 1 321.465 2.630 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]Cc2c(C)[nH]c(C(=O)OCC)c2C)C1 ZINC000598957423 398897302 /nfs/dbraw/zinc/89/73/02/398897302.db2.gz RZSNLXKNVLKJTF-HNNXBMFYSA-N 2 1 321.465 2.630 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1(C)C ZINC000598974060 398901038 /nfs/dbraw/zinc/90/10/38/398901038.db2.gz LGIYASWIYGTXPF-KKSFZXQISA-N 2 1 308.491 2.528 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)CC1(C)C ZINC000598974060 398901041 /nfs/dbraw/zinc/90/10/41/398901041.db2.gz LGIYASWIYGTXPF-KKSFZXQISA-N 2 1 308.491 2.528 20 0 DFADMP C[C@H](C[NH2+]Cc1ccc(C(=O)OC(C)(C)C)s1)C[NH+](C)C ZINC000598979596 398902527 /nfs/dbraw/zinc/90/25/27/398902527.db2.gz GIFONZAKUVZXGW-GFCCVEGCSA-N 2 1 312.479 2.991 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c1C ZINC000598995205 398905072 /nfs/dbraw/zinc/90/50/72/398905072.db2.gz VXVKLHYBMNATRL-HNNXBMFYSA-N 2 1 321.465 2.630 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCc2ccccc2C(=O)OC)C1 ZINC000187096966 200060771 /nfs/dbraw/zinc/06/07/71/200060771.db2.gz GNNRLRQQGNEDOH-INIZCTEOSA-N 2 1 318.461 2.679 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2ccccc2C(=O)OC)C1 ZINC000187096966 200060772 /nfs/dbraw/zinc/06/07/72/200060772.db2.gz GNNRLRQQGNEDOH-INIZCTEOSA-N 2 1 318.461 2.679 20 0 DFADMP C[C@@H](CCNC(=O)C1([NH3+])CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000237559087 202282636 /nfs/dbraw/zinc/28/26/36/202282636.db2.gz IEVZNNMTTDDRSP-INIZCTEOSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000237637017 202312734 /nfs/dbraw/zinc/31/27/34/202312734.db2.gz WGHIVEQYODSPRW-IYBDPMFKSA-N 2 1 311.514 2.768 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@H](c2ncccc2C)C1 ZINC000281136163 216103479 /nfs/dbraw/zinc/10/34/79/216103479.db2.gz FLQFNNJOAWROKJ-ZWKOTPCHSA-N 2 1 319.493 2.974 20 0 DFADMP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188667080 200283920 /nfs/dbraw/zinc/28/39/20/200283920.db2.gz JKESBSOVORLJMF-YDZRNGNQSA-N 2 1 302.462 2.648 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1ccc(Cl)cc1F ZINC000189331157 200382754 /nfs/dbraw/zinc/38/27/54/200382754.db2.gz NYBMCKKIBGSOOA-HNNXBMFYSA-N 2 1 314.832 2.806 20 0 DFADMP O[C@H]1CC[C@@H](C[NH2+][C@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000189329888 200382908 /nfs/dbraw/zinc/38/29/08/200382908.db2.gz GKESKQXWQQGAHL-OBKDMQGPSA-N 2 1 314.473 2.648 20 0 DFADMP Cn1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000471837065 299309320 /nfs/dbraw/zinc/30/93/20/299309320.db2.gz YTISLVYDBJCKFS-RBUKOAKNSA-N 2 1 312.461 2.592 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CC1 ZINC000417386999 296015688 /nfs/dbraw/zinc/01/56/88/296015688.db2.gz TVZQSUJLTYIXTM-FUHWJXTLSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000417386999 296015690 /nfs/dbraw/zinc/01/56/90/296015690.db2.gz TVZQSUJLTYIXTM-FUHWJXTLSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(N(C)C)CC1 ZINC000417386999 296015691 /nfs/dbraw/zinc/01/56/91/296015691.db2.gz TVZQSUJLTYIXTM-FUHWJXTLSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000192093993 200816401 /nfs/dbraw/zinc/81/64/01/200816401.db2.gz VPJFXNZMYINOOU-QLFBSQMISA-N 2 1 303.450 2.840 20 0 DFADMP COC(=O)C1([N@H+](CCCCn2cc[nH+]c2C)C2CC2)CCC1 ZINC000595542889 398962796 /nfs/dbraw/zinc/96/27/96/398962796.db2.gz XOBOKNVUPLPBEY-UHFFFAOYSA-N 2 1 305.422 2.532 20 0 DFADMP COC(=O)C1([N@@H+](CCCCn2cc[nH+]c2C)C2CC2)CCC1 ZINC000595542889 398962801 /nfs/dbraw/zinc/96/28/01/398962801.db2.gz XOBOKNVUPLPBEY-UHFFFAOYSA-N 2 1 305.422 2.532 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N1CCC[N@H+](Cc2ccc(Cl)cc2)CC1 ZINC000193293838 201021231 /nfs/dbraw/zinc/02/12/31/201021231.db2.gz OOCUSJBWOAVIHJ-CQSZACIVSA-N 2 1 323.868 2.502 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N1CCC[N@@H+](Cc2ccc(Cl)cc2)CC1 ZINC000193293838 201021233 /nfs/dbraw/zinc/02/12/33/201021233.db2.gz OOCUSJBWOAVIHJ-CQSZACIVSA-N 2 1 323.868 2.502 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000193349166 201036274 /nfs/dbraw/zinc/03/62/74/201036274.db2.gz UVUYSVDQSNTNHD-FCFHUKJJSA-N 2 1 314.473 2.933 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH2+][C@@H]2C)cc1)C(C)C ZINC000193617100 201087679 /nfs/dbraw/zinc/08/76/79/201087679.db2.gz DSNTYSMVLCXIIF-QAPCUYQASA-N 2 1 317.477 2.787 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194374327 201212203 /nfs/dbraw/zinc/21/22/03/201212203.db2.gz XJXYSKAVSGEFJY-MOPGFXCFSA-N 2 1 300.446 2.833 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC1 ZINC000271860010 209275877 /nfs/dbraw/zinc/27/58/77/209275877.db2.gz KEPUBSTWRHFBOJ-UHFFFAOYSA-N 3 1 313.489 2.545 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000271860010 209275880 /nfs/dbraw/zinc/27/58/80/209275880.db2.gz KEPUBSTWRHFBOJ-UHFFFAOYSA-N 2 1 313.489 2.545 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000271860010 209275883 /nfs/dbraw/zinc/27/58/83/209275883.db2.gz KEPUBSTWRHFBOJ-UHFFFAOYSA-N 2 1 313.489 2.545 20 0 DFADMP CC(C)OCCC[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284885 201373180 /nfs/dbraw/zinc/37/31/80/201373180.db2.gz IJSHIYXYAVIEBV-SFHVURJKSA-N 2 1 305.466 2.650 20 0 DFADMP CC(C)OCCC[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1 ZINC000195284885 201373182 /nfs/dbraw/zinc/37/31/82/201373182.db2.gz IJSHIYXYAVIEBV-SFHVURJKSA-N 2 1 305.466 2.650 20 0 DFADMP CC(C)OCCC[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000195284885 201373184 /nfs/dbraw/zinc/37/31/84/201373184.db2.gz IJSHIYXYAVIEBV-SFHVURJKSA-N 2 1 305.466 2.650 20 0 DFADMP CC(C)OCCC[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000195284885 201373186 /nfs/dbraw/zinc/37/31/86/201373186.db2.gz IJSHIYXYAVIEBV-SFHVURJKSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271833227 209253191 /nfs/dbraw/zinc/25/31/91/209253191.db2.gz FEYSDCBWFJMYAB-KRWDZBQOSA-N 2 1 318.461 2.876 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642336 399007759 /nfs/dbraw/zinc/00/77/59/399007759.db2.gz KVPNYCGMSXUXOS-DLBZAZTESA-N 2 1 309.498 2.537 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2COC(C)(C)C2)cc1F ZINC000417874792 296059932 /nfs/dbraw/zinc/05/99/32/296059932.db2.gz NNKSCQJKKVLIAV-CQSZACIVSA-N 2 1 303.381 2.977 20 0 DFADMP O[C@@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000292951932 223323823 /nfs/dbraw/zinc/32/38/23/223323823.db2.gz CADROBXZFHUVDK-OALUTQOASA-N 2 1 320.452 2.679 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2cncn2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579776 399019370 /nfs/dbraw/zinc/01/93/70/399019370.db2.gz BZNMYFSZXWUFBS-ZBFHGGJFSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2c[nH+]cn2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599579776 399019374 /nfs/dbraw/zinc/01/93/74/399019374.db2.gz BZNMYFSZXWUFBS-ZBFHGGJFSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587177 399022076 /nfs/dbraw/zinc/02/20/76/399022076.db2.gz DMLGAPWUPMMBKG-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@@H+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587177 399022081 /nfs/dbraw/zinc/02/20/81/399022081.db2.gz DMLGAPWUPMMBKG-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@@H]2CCC[N@H+]2C)CC[C@H]1C(=O)OC(C)(C)C ZINC000599587177 399022084 /nfs/dbraw/zinc/02/20/84/399022084.db2.gz DMLGAPWUPMMBKG-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@H]2CCC[NH+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587176 399022447 /nfs/dbraw/zinc/02/24/47/399022447.db2.gz DMLGAPWUPMMBKG-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@@H+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587176 399022453 /nfs/dbraw/zinc/02/24/53/399022453.db2.gz DMLGAPWUPMMBKG-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@H]2CCC[N@H+]2C)CC[C@@H]1C(=O)OC(C)(C)C ZINC000599587176 399022460 /nfs/dbraw/zinc/02/24/60/399022460.db2.gz DMLGAPWUPMMBKG-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000091689262 193090970 /nfs/dbraw/zinc/09/09/70/193090970.db2.gz FDLVWZJAQZUIGP-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000091689262 193090971 /nfs/dbraw/zinc/09/09/71/193090971.db2.gz FDLVWZJAQZUIGP-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP COC(=O)CCC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000079442873 399045025 /nfs/dbraw/zinc/04/50/25/399045025.db2.gz AFMAOPNRAWVHIC-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000079442873 399045031 /nfs/dbraw/zinc/04/50/31/399045031.db2.gz AFMAOPNRAWVHIC-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000079442873 399045039 /nfs/dbraw/zinc/04/50/39/399045039.db2.gz AFMAOPNRAWVHIC-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000079442873 399045043 /nfs/dbraw/zinc/04/50/43/399045043.db2.gz AFMAOPNRAWVHIC-WMZOPIPTSA-N 2 1 318.461 2.782 20 0 DFADMP C[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1cccc(Cl)c1 ZINC000613660659 399051291 /nfs/dbraw/zinc/05/12/91/399051291.db2.gz MPVSIHGSWIWWMR-BZUAXINKSA-N 2 1 323.868 2.542 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)on1 ZINC000275287489 212249514 /nfs/dbraw/zinc/24/95/14/212249514.db2.gz LGWIAFKPOJAIOI-CQSZACIVSA-N 2 1 300.406 2.814 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@@H](n3c(C)[nH+]c4c3CCCC4)C2)on1 ZINC000275287489 212249509 /nfs/dbraw/zinc/24/95/09/212249509.db2.gz LGWIAFKPOJAIOI-CQSZACIVSA-N 2 1 300.406 2.814 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000271792610 209220367 /nfs/dbraw/zinc/22/03/67/209220367.db2.gz HCLNLMFDGOJXMI-UHFFFAOYSA-N 2 1 300.431 2.557 20 0 DFADMP C[N@@H+]1CC=C(CNCc2csc(-c3ccccn3)n2)CC1 ZINC000271792610 209220361 /nfs/dbraw/zinc/22/03/61/209220361.db2.gz HCLNLMFDGOJXMI-UHFFFAOYSA-N 2 1 300.431 2.557 20 0 DFADMP C[N@H+]1CC=C(C[NH2+]Cc2csc(-c3ccccn3)n2)CC1 ZINC000271792610 209220364 /nfs/dbraw/zinc/22/03/64/209220364.db2.gz HCLNLMFDGOJXMI-UHFFFAOYSA-N 2 1 300.431 2.557 20 0 DFADMP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)[C@H]1CCCC[N@H+]1C ZINC000606364622 399060088 /nfs/dbraw/zinc/06/00/88/399060088.db2.gz DBYAILRTFUWCOA-GOSISDBHSA-N 2 1 317.477 2.581 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CCCn2cc[nH+]c2C)c2ccccc21 ZINC000621750058 399065272 /nfs/dbraw/zinc/06/52/72/399065272.db2.gz HRVDTDBHLRLUBD-QGZVFWFLSA-N 2 1 312.417 2.669 20 0 DFADMP COC(=O)C1C[C@H](C)[NH+](CCCCn2cc[nH+]c2C)[C@@H](C)C1 ZINC000599697552 399068497 /nfs/dbraw/zinc/06/84/97/399068497.db2.gz RPYOSAJRPRBVNJ-KBPBESRZSA-N 2 1 307.438 2.634 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+](C)C2)c2ccccc21 ZINC000621763133 399071462 /nfs/dbraw/zinc/07/14/62/399071462.db2.gz RCPBCIRROHTVKG-SJLPKXTDSA-N 2 1 315.461 2.806 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000271774831 209204194 /nfs/dbraw/zinc/20/41/94/209204194.db2.gz COMDGJBEGOKPLN-OXJNMPFZSA-N 2 1 313.489 2.723 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780893 399076699 /nfs/dbraw/zinc/07/66/99/399076699.db2.gz WZBLNFQBEILYGC-SUMWQHHRSA-N 2 1 319.474 2.550 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621780893 399076706 /nfs/dbraw/zinc/07/67/06/399076706.db2.gz WZBLNFQBEILYGC-SUMWQHHRSA-N 2 1 319.474 2.550 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755647 299386044 /nfs/dbraw/zinc/38/60/44/299386044.db2.gz PYPDHMFROUQSLZ-WBQNTZJQSA-N 2 1 316.449 2.701 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)c1ccc(NC(N)=O)cc1 ZINC000367755646 299386889 /nfs/dbraw/zinc/38/68/89/299386889.db2.gz PYPDHMFROUQSLZ-SJWGOKEGSA-N 2 1 316.449 2.701 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(Cl)cn1 ZINC000274861346 296122042 /nfs/dbraw/zinc/12/20/42/296122042.db2.gz CYMAKXALPJSOIU-UKRRQHHQSA-N 2 1 311.857 2.623 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc3c(c2)OCO3)C1 ZINC000261648144 203087851 /nfs/dbraw/zinc/08/78/51/203087851.db2.gz JIHVUPYMPKDRIW-ZBFHGGJFSA-N 2 1 304.434 2.668 20 0 DFADMP COC(=O)[C@@H]1CCCCCC[C@H]1[NH2+]CC[C@@H]1CCCC[N@H+]1C ZINC000481442752 299396214 /nfs/dbraw/zinc/39/62/14/299396214.db2.gz XMJCFSUHFYIEHO-GVDBMIGSSA-N 2 1 310.482 2.962 20 0 DFADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(-c2ccnn2C)c1 ZINC000338456614 284115297 /nfs/dbraw/zinc/11/52/97/284115297.db2.gz LQLHBZODNJZIOD-UHFFFAOYSA-N 2 1 310.445 2.747 20 0 DFADMP CC(C)CCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO ZINC000338459888 284116818 /nfs/dbraw/zinc/11/68/18/284116818.db2.gz TWOGKBQSCMSJAZ-MOPGFXCFSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)CCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO ZINC000338459888 284116820 /nfs/dbraw/zinc/11/68/20/284116820.db2.gz TWOGKBQSCMSJAZ-MOPGFXCFSA-N 2 1 304.478 2.895 20 0 DFADMP Cc1ncccc1OC[C@@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000419384639 296138385 /nfs/dbraw/zinc/13/83/85/296138385.db2.gz GQMMJIMGQFPSCE-IRXDYDNUSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1OC[C@@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000419384639 296138388 /nfs/dbraw/zinc/13/83/88/296138388.db2.gz GQMMJIMGQFPSCE-IRXDYDNUSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1OC[C@@H]1CCC[N@@H+]1CC[C@@H]1CCC[NH+]1C ZINC000419384639 296138389 /nfs/dbraw/zinc/13/83/89/296138389.db2.gz GQMMJIMGQFPSCE-IRXDYDNUSA-N 2 1 303.450 2.718 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[C@H]([NH3+])c2ccccc2)C1 ZINC000262675486 203377584 /nfs/dbraw/zinc/37/75/84/203377584.db2.gz RRDZCLMARPOORL-BQFCYCMXSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H](C(=O)N(C)CC[C@H]1CCCC[N@H+]1C)[C@H]([NH3+])c1ccccc1 ZINC000262681440 203380027 /nfs/dbraw/zinc/38/00/27/203380027.db2.gz XKMGCYIECDJXHE-JQHSSLGASA-N 2 1 317.477 2.655 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C[NH2+]CC2CC2)cc1 ZINC000262680835 203380651 /nfs/dbraw/zinc/38/06/51/203380651.db2.gz XCWNYIOQJUVLDN-OAHLLOKOSA-N 2 1 315.461 2.999 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2cc(F)cc(Br)c2)CC1 ZINC000093993212 193336276 /nfs/dbraw/zinc/33/62/76/193336276.db2.gz ZKZLFDRIMNWLLB-UHFFFAOYSA-N 2 1 301.203 2.759 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000419747547 296147913 /nfs/dbraw/zinc/14/79/13/296147913.db2.gz NDGZOQVOLHSNBM-ZDUSSCGKSA-N 2 1 304.413 2.607 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900448 399127950 /nfs/dbraw/zinc/12/79/50/399127950.db2.gz GJWFVZLKQXMSKT-ZBFHGGJFSA-N 2 1 322.474 2.674 20 0 DFADMP COC(=O)[C@H](c1ccsc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595900448 399127954 /nfs/dbraw/zinc/12/79/54/399127954.db2.gz GJWFVZLKQXMSKT-ZBFHGGJFSA-N 2 1 322.474 2.674 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)[NH+](C)C)cc1 ZINC000340530702 284189314 /nfs/dbraw/zinc/18/93/14/284189314.db2.gz GDQIDPGKYVXMJO-QGTPRVQTSA-N 2 1 321.534 2.941 20 0 DFADMP CSC[C@](C)(O)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274964650 212046900 /nfs/dbraw/zinc/04/69/00/212046900.db2.gz XFKATDJSDFTTNO-CGTJXYLNSA-N 2 1 322.518 2.601 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[C@H](O)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274925759 212038001 /nfs/dbraw/zinc/03/80/01/212038001.db2.gz PUAXHTIDCGBMRS-NQYYFHDYSA-N 2 1 302.462 2.790 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)C)C2)cc1 ZINC000263989394 203667919 /nfs/dbraw/zinc/66/79/19/203667919.db2.gz FTUKMMZIXAZYMJ-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000341007978 284227972 /nfs/dbraw/zinc/22/79/72/284227972.db2.gz JSECZKNANLVNPL-SJLPKXTDSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cnn(C(C)C)c2)[C@H](C)C1 ZINC000341007978 284227973 /nfs/dbraw/zinc/22/79/73/284227973.db2.gz JSECZKNANLVNPL-SJLPKXTDSA-N 2 1 322.497 2.691 20 0 DFADMP C[C@H]1CN(c2cc[nH+]c3cc(Br)ccc32)C[C@H]1[NH3+] ZINC000420271214 296167965 /nfs/dbraw/zinc/16/79/65/296167965.db2.gz HHCJDXINWZEWEU-JOYOIKCWSA-N 2 1 306.207 2.781 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(N[C@H](CCC[NH3+])c2ccccc2)n1 ZINC000420272724 296168041 /nfs/dbraw/zinc/16/80/41/296168041.db2.gz IOGAJGITYDLUHZ-MRXNPFEDSA-N 2 1 322.416 2.863 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420273958 296168103 /nfs/dbraw/zinc/16/81/03/296168103.db2.gz OAMVPPPMGHBECE-HOCLYGCPSA-N 2 1 319.449 2.616 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)[NH3+] ZINC000420273958 296168104 /nfs/dbraw/zinc/16/81/04/296168104.db2.gz OAMVPPPMGHBECE-HOCLYGCPSA-N 2 1 319.449 2.616 20 0 DFADMP CCc1ccccc1[C@@H]([NH3+])CNc1cc[nH+]cc1Br ZINC000420278774 296168702 /nfs/dbraw/zinc/16/87/02/296168702.db2.gz OJXKGVKWMLWEKR-AWEZNQCLSA-N 2 1 320.234 2.940 20 0 DFADMP OCCC[N@@H+](CC[C@H]1CC[NH2+]C1)[C@H]1CCCc2ccccc21 ZINC000420294601 296170428 /nfs/dbraw/zinc/17/04/28/296170428.db2.gz BJJDXYXAGXZOHT-APWZRJJASA-N 2 1 302.462 2.748 20 0 DFADMP c1ccc([C@@H]2c3ccccc3CC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420295748 296170572 /nfs/dbraw/zinc/17/05/72/296170572.db2.gz COVFFHZQZNUZEX-OAQYLSRUSA-N 2 1 321.468 2.539 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420298913 296171238 /nfs/dbraw/zinc/17/12/38/296171238.db2.gz AFXUBLIWMRESKG-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420298913 296171239 /nfs/dbraw/zinc/17/12/39/296171239.db2.gz AFXUBLIWMRESKG-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP Cc1ccccc1[C@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420299483 296171258 /nfs/dbraw/zinc/17/12/58/296171258.db2.gz ITVMVORHQAAGDC-JBACZVJFSA-N 2 1 324.468 2.715 20 0 DFADMP CCS[C@@H]1CC[C@@H]([N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000420294529 296170707 /nfs/dbraw/zinc/17/07/07/296170707.db2.gz AZUAWFYBLXJIJI-BDXSIMOUSA-N 2 1 322.518 2.523 20 0 DFADMP CCOc1ccccc1NC(=O)CC[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000420295355 296170713 /nfs/dbraw/zinc/17/07/13/296170713.db2.gz VHWOYCNRTCOQBR-HNNXBMFYSA-N 2 1 321.465 2.719 20 0 DFADMP CC(C)=CCC[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000341515051 284268141 /nfs/dbraw/zinc/26/81/41/284268141.db2.gz SXTUDQWVELXQTK-MRXNPFEDSA-N 2 1 309.498 2.654 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420297869 296170828 /nfs/dbraw/zinc/17/08/28/296170828.db2.gz DQRNMRYWBDWCHN-JVPBZIDWSA-N 2 1 316.420 2.749 20 0 DFADMP COc1cc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)c(SC)cc1OC ZINC000420297119 296170869 /nfs/dbraw/zinc/17/08/69/296170869.db2.gz FNCHXZDYAQZZJD-CYBMUJFWSA-N 2 1 324.490 2.857 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296419 296170955 /nfs/dbraw/zinc/17/09/55/296170955.db2.gz DMVZGNGGBFWMGO-NVXWUHKLSA-N 2 1 308.491 2.811 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCS[C@@H](C(C)C)C2)cc1 ZINC000420296417 296170985 /nfs/dbraw/zinc/17/09/85/296170985.db2.gz DMVZGNGGBFWMGO-DOTOQJQBSA-N 2 1 308.491 2.811 20 0 DFADMP CC(C)[C@H](c1ccccc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000420300386 296171148 /nfs/dbraw/zinc/17/11/48/296171148.db2.gz KFYPCUOJOSFPRL-QGZVFWFLSA-N 2 1 309.885 2.874 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420298914 296171462 /nfs/dbraw/zinc/17/14/62/296171462.db2.gz AFXUBLIWMRESKG-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cncc(OCc3ccccc3)c2)C1 ZINC000420298914 296171463 /nfs/dbraw/zinc/17/14/63/296171463.db2.gz AFXUBLIWMRESKG-MAUKXSAKSA-N 2 1 311.429 2.830 20 0 DFADMP c1ccc(CC[N@H+](CC[C@H]2CCC[NH2+]C2)[C@@H]2CCOC2)cc1 ZINC000420301528 296171563 /nfs/dbraw/zinc/17/15/63/296171563.db2.gz LKOFXAUGDUOWPH-RTBURBONSA-N 2 1 302.462 2.710 20 0 DFADMP Fc1cccc(C[N@@H+](CC[C@H]2CC[NH2+]C2)C[C@H]2CCCO2)c1 ZINC000420303923 296172072 /nfs/dbraw/zinc/17/20/72/296172072.db2.gz NYKQSEBBAYMMMA-CRAIPNDOSA-N 2 1 306.425 2.806 20 0 DFADMP CC(C)[C@@H](CO)[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420302968 296171828 /nfs/dbraw/zinc/17/18/28/296171828.db2.gz MVBLYMHYHJYWAA-IEBWSBKVSA-N 2 1 304.478 2.895 20 0 DFADMP Cc1ccc([C@@H]2[C@@H](C)CCC[N@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420306628 296172639 /nfs/dbraw/zinc/17/26/39/296172639.db2.gz QPKKMHCYSQXGLY-HKUYNNGSSA-N 2 1 301.478 2.673 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)c2c(C)[nH]c3ccccc32)CC1 ZINC000420315105 296173712 /nfs/dbraw/zinc/17/37/12/296173712.db2.gz WJTWDANWVAKYTP-UHFFFAOYSA-N 2 1 313.445 2.981 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(Cl)c(F)c3)C[C@H]21 ZINC000420313481 296173792 /nfs/dbraw/zinc/17/37/92/296173792.db2.gz UCEFFYLGBFHJGJ-AXAPSJFSSA-N 2 1 312.816 2.917 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420314256 296173891 /nfs/dbraw/zinc/17/38/91/296173891.db2.gz QKZXMENTKYUBOK-GFCCVEGCSA-N 2 1 300.805 2.919 20 0 DFADMP c1ccc2c(c1)cccc2[C@@H]1CCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420320012 296174451 /nfs/dbraw/zinc/17/44/51/296174451.db2.gz PZUHRKRZSWKWMH-FQEVSTJZSA-N 2 1 309.457 2.882 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccsc1 ZINC000420318367 296174502 /nfs/dbraw/zinc/17/45/02/296174502.db2.gz OOQQQJGDODMNIL-BZSNNMDCSA-N 2 1 316.470 2.816 20 0 DFADMP CCc1ccc(C[N@@H+](C)C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)cc1 ZINC000420318771 296174551 /nfs/dbraw/zinc/17/45/51/296174551.db2.gz OVVZLWXHUSZKCU-PMACEKPBSA-N 2 1 312.457 2.612 20 0 DFADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1)OCCO2 ZINC000420316044 296174066 /nfs/dbraw/zinc/17/40/66/296174066.db2.gz MFRAWUYWBPHUPV-WBVHZDCISA-N 2 1 316.445 2.984 20 0 DFADMP Cc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1C ZINC000420317493 296174141 /nfs/dbraw/zinc/17/41/41/296174141.db2.gz UOXJWICVVTUSKE-HZPDHXFCSA-N 2 1 303.450 2.691 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323657 296175129 /nfs/dbraw/zinc/17/51/29/296175129.db2.gz GPLJAPFUVCABAR-WBVHZDCISA-N 2 1 306.425 2.964 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000420321402 296174889 /nfs/dbraw/zinc/17/48/89/296174889.db2.gz ZZYSQGJVXIISEQ-LSDHHAIUSA-N 2 1 303.450 2.637 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCc2ccc(Cl)cc2)CC12CCOCC2 ZINC000420328755 296176241 /nfs/dbraw/zinc/17/62/41/296176241.db2.gz MYOXTHYLSKDAEI-MRXNPFEDSA-N 2 1 322.880 2.960 20 0 DFADMP FC(F)(F)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)nc1 ZINC000420331624 296176413 /nfs/dbraw/zinc/17/64/13/296176413.db2.gz RAZYCSCLZNZZFB-STQMWFEESA-N 2 1 313.367 2.922 20 0 DFADMP CC(C)[N@@H+](CCC[NH3+])C[C@H](O)COc1cccc2ccccc21 ZINC000420327293 296175684 /nfs/dbraw/zinc/17/56/84/296175684.db2.gz YEEYDLMLZQQRGQ-KRWDZBQOSA-N 2 1 316.445 2.639 20 0 DFADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338039 296177160 /nfs/dbraw/zinc/17/71/60/296177160.db2.gz NPSVJZZTUCYHLJ-CWRNSKLLSA-N 2 1 312.417 2.729 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000420339006 296177366 /nfs/dbraw/zinc/17/73/66/296177366.db2.gz LJXCDZZEXPVSHG-SJORKVTESA-N 2 1 315.461 2.563 20 0 DFADMP Fc1ccc(OCCC[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420334978 296176713 /nfs/dbraw/zinc/17/67/13/296176713.db2.gz GZRSGOBVGDKABW-CVEARBPZSA-N 2 1 306.425 2.916 20 0 DFADMP C[N@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC([NH3+])C1 ZINC000420333504 296176862 /nfs/dbraw/zinc/17/68/62/296176862.db2.gz NYAKPBRUODDKDE-UHFFFAOYSA-N 2 1 309.413 2.860 20 0 DFADMP C[N@@H+](Cc1ccc(C(=O)Nc2ccccc2)cc1)C1CC([NH3+])C1 ZINC000420333504 296176863 /nfs/dbraw/zinc/17/68/63/296176863.db2.gz NYAKPBRUODDKDE-UHFFFAOYSA-N 2 1 309.413 2.860 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420343846 296177757 /nfs/dbraw/zinc/17/77/57/296177757.db2.gz ROWFWVOIFGCKSI-DLBZAZTESA-N 2 1 315.461 2.509 20 0 DFADMP Cc1sc(NC(=O)C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1C ZINC000420341870 296177809 /nfs/dbraw/zinc/17/78/09/296177809.db2.gz QMOUOIITYOTKFH-GASCZTMLSA-N 2 1 321.490 2.543 20 0 DFADMP c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)no2)cc1 ZINC000420342857 296177868 /nfs/dbraw/zinc/17/78/68/296177868.db2.gz QCRYWFIQPCHKHN-CVEARBPZSA-N 2 1 312.417 2.558 20 0 DFADMP c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)no2)cc1 ZINC000420342857 296177869 /nfs/dbraw/zinc/17/78/69/296177869.db2.gz QCRYWFIQPCHKHN-CVEARBPZSA-N 2 1 312.417 2.558 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c(C)c1 ZINC000420347824 296178300 /nfs/dbraw/zinc/17/83/00/296178300.db2.gz ZJTIPDFOTFVOIE-ZACQAIPSSA-N 2 1 315.461 2.562 20 0 DFADMP Fc1cc(OCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000420347468 296178384 /nfs/dbraw/zinc/17/83/84/296178384.db2.gz GUQFLLHSYWNANB-MRXNPFEDSA-N 2 1 312.816 2.933 20 0 DFADMP Fc1cc(OCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)ccc1Cl ZINC000420347468 296178385 /nfs/dbraw/zinc/17/83/85/296178385.db2.gz GUQFLLHSYWNANB-MRXNPFEDSA-N 2 1 312.816 2.933 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCc3ccsc3C2)cc1 ZINC000420358562 296179585 /nfs/dbraw/zinc/17/95/85/296179585.db2.gz JPQQXZYRYJQQSP-OAHLLOKOSA-N 2 1 302.443 2.857 20 0 DFADMP CN(CC[NH+](C)C)c1cc[nH+]c2ccc(Br)cc21 ZINC000080685436 399171079 /nfs/dbraw/zinc/17/10/79/399171079.db2.gz XRGVNVPAZOOBKG-UHFFFAOYSA-N 2 1 308.223 2.995 20 0 DFADMP CSc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420361963 296180309 /nfs/dbraw/zinc/18/03/09/296180309.db2.gz HKKSQGYLZAYKOH-KRWDZBQOSA-N 2 1 306.475 2.863 20 0 DFADMP CSc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420361963 296180310 /nfs/dbraw/zinc/18/03/10/296180310.db2.gz HKKSQGYLZAYKOH-KRWDZBQOSA-N 2 1 306.475 2.863 20 0 DFADMP CC(C)(C)OC(=O)[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)C1CCC1 ZINC000596098660 399172484 /nfs/dbraw/zinc/17/24/84/399172484.db2.gz SNMQAGMYIDWNEG-KRWDZBQOSA-N 2 1 322.493 2.961 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)CCc2ncc(C)s2)cc1 ZINC000420368395 296181029 /nfs/dbraw/zinc/18/10/29/296181029.db2.gz WUPNUMIWIWKTLI-HNNXBMFYSA-N 2 1 319.474 2.677 20 0 DFADMP [NH3+]C[C@H]([NH2+]CCC(=O)Nc1ccccc1F)C1CCCCC1 ZINC000420368648 296181524 /nfs/dbraw/zinc/18/15/24/296181524.db2.gz NWFOKMCTHKAWRD-INIZCTEOSA-N 2 1 307.413 2.652 20 0 DFADMP Brc1ccc2c(c1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000420375455 296182726 /nfs/dbraw/zinc/18/27/26/296182726.db2.gz PJNMWDKJEIWNQW-LBPRGKRZSA-N 2 1 309.251 2.807 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420375903 296182737 /nfs/dbraw/zinc/18/27/37/296182737.db2.gz ONHRKMSNVYBAJD-GOSISDBHSA-N 2 1 319.424 2.538 20 0 DFADMP COc1ccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000420379938 296183559 /nfs/dbraw/zinc/18/35/59/296183559.db2.gz BSKUWZXWVSOLMM-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420379890 296183629 /nfs/dbraw/zinc/18/36/29/296183629.db2.gz BMJKHKQBGBJKDG-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000420379890 296183630 /nfs/dbraw/zinc/18/36/30/296183630.db2.gz BMJKHKQBGBJKDG-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCSc2ccccc2Cl)CCCO1 ZINC000420384214 296183863 /nfs/dbraw/zinc/18/38/63/296183863.db2.gz GDWFNOSCPWJJHX-CYBMUJFWSA-N 2 1 314.882 2.872 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)c1ccccc1Cl ZINC000420383411 296183874 /nfs/dbraw/zinc/18/38/74/296183874.db2.gz ZQCLORAOKXSCMJ-BVGQSLNGSA-N 2 1 318.848 2.922 20 0 DFADMP C[C@@H]1CCC[C@@H](CC[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000420388302 296184921 /nfs/dbraw/zinc/18/49/21/296184921.db2.gz MBAMFWBVMUMRDY-XDNAFOTISA-N 2 1 306.494 2.903 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCCOc2ccc3ccccc3c2)CCCO1 ZINC000420392954 296185161 /nfs/dbraw/zinc/18/51/61/296185161.db2.gz QANATRSFPIAIRQ-IBGZPJMESA-N 2 1 314.429 2.658 20 0 DFADMP COc1cccc(OCC[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000420406895 296187374 /nfs/dbraw/zinc/18/73/74/296187374.db2.gz UTGDCPTVXAUJIP-MAUKXSAKSA-N 2 1 304.434 2.538 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000600953412 399185207 /nfs/dbraw/zinc/18/52/07/399185207.db2.gz RIBBWDIEIAZQOJ-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC(C)(C)CC1 ZINC000607755119 399193279 /nfs/dbraw/zinc/19/32/79/399193279.db2.gz GPVSQJFMCLTQGJ-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCCC(C)(C)CC1 ZINC000607755119 399193281 /nfs/dbraw/zinc/19/32/81/399193281.db2.gz GPVSQJFMCLTQGJ-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCCC(C)(C)CC1 ZINC000607755119 399193283 /nfs/dbraw/zinc/19/32/83/399193283.db2.gz GPVSQJFMCLTQGJ-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCCC(C)(C)CC1 ZINC000607755119 399193286 /nfs/dbraw/zinc/19/32/86/399193286.db2.gz GPVSQJFMCLTQGJ-SFHVURJKSA-N 2 1 304.478 2.991 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000601007334 399200851 /nfs/dbraw/zinc/20/08/51/399200851.db2.gz DUZUYBBSRDJJNQ-ZWKOTPCHSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000601007334 399200855 /nfs/dbraw/zinc/20/08/55/399200855.db2.gz DUZUYBBSRDJJNQ-ZWKOTPCHSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000601007334 399200858 /nfs/dbraw/zinc/20/08/58/399200858.db2.gz DUZUYBBSRDJJNQ-ZWKOTPCHSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000601007334 399200863 /nfs/dbraw/zinc/20/08/63/399200863.db2.gz DUZUYBBSRDJJNQ-ZWKOTPCHSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cc2[nH+]ccc(N(C)C[C@@H]3CCC[N@H+]3C)c2cc1OC ZINC000420628643 296193853 /nfs/dbraw/zinc/19/38/53/296193853.db2.gz BIMFECPPOLOZKF-ZDUSSCGKSA-N 2 1 315.417 2.782 20 0 DFADMP Cc1ccoc1C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000608056418 399228782 /nfs/dbraw/zinc/22/87/82/399228782.db2.gz VYWMJAYZWXWUMH-HNNXBMFYSA-N 2 1 300.406 2.753 20 0 DFADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000420920251 296212362 /nfs/dbraw/zinc/21/23/62/296212362.db2.gz ARKOFMIDELTFSM-OWCLPIDISA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000420920251 296212363 /nfs/dbraw/zinc/21/23/63/296212363.db2.gz ARKOFMIDELTFSM-OWCLPIDISA-N 2 1 310.482 2.913 20 0 DFADMP C[C@@H]1CC[C@H](C(=O)OC(C)(C)C)C[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000420920251 296212364 /nfs/dbraw/zinc/21/23/64/296212364.db2.gz ARKOFMIDELTFSM-OWCLPIDISA-N 2 1 310.482 2.913 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]C/C=C\c2ccncc2)CC1 ZINC000487274128 299454618 /nfs/dbraw/zinc/45/46/18/299454618.db2.gz GCXBHASUYNNYHK-ARJAWSKDSA-N 2 1 303.450 2.574 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000420939321 296215229 /nfs/dbraw/zinc/21/52/29/296215229.db2.gz MYGRPVLLEMJTDA-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000421006450 296224040 /nfs/dbraw/zinc/22/40/40/296224040.db2.gz FQSZKOBPUOAJRU-GOSISDBHSA-N 2 1 308.441 2.537 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@@](O)(Cc2ccc(F)cc2)C1 ZINC000421006450 296224041 /nfs/dbraw/zinc/22/40/41/296224041.db2.gz FQSZKOBPUOAJRU-GOSISDBHSA-N 2 1 308.441 2.537 20 0 DFADMP CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000622658081 399265376 /nfs/dbraw/zinc/26/53/76/399265376.db2.gz PJAXGBOJILYHGE-AEFFLSMTSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085862 399323864 /nfs/dbraw/zinc/32/38/64/399323864.db2.gz JRZXAAVWEKTKQY-UHFFFAOYSA-N 2 1 309.417 2.555 20 0 DFADMP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1c(F)cccc1F ZINC000051907796 425883445 /nfs/dbraw/zinc/88/34/45/425883445.db2.gz FRVWYJVCGFWZQU-QGZVFWFLSA-N 2 1 324.415 2.806 20 0 DFADMP CC(C)c1ccoc1C(=O)N(C)CC[N@@H+](C)C1CCN(C)CC1 ZINC000284407070 218014983 /nfs/dbraw/zinc/01/49/83/218014983.db2.gz REQWYODZOVWOBJ-UHFFFAOYSA-N 2 1 321.465 2.501 20 0 DFADMP CC(C)c1ccoc1C(=O)N(C)CCN(C)C1CC[NH+](C)CC1 ZINC000284407070 218014985 /nfs/dbraw/zinc/01/49/85/218014985.db2.gz REQWYODZOVWOBJ-UHFFFAOYSA-N 2 1 321.465 2.501 20 0 DFADMP C[C@@H]([NH2+]CCC1(O)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000284410759 218016985 /nfs/dbraw/zinc/01/69/85/218016985.db2.gz QLDQZMURVOMSOZ-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000284472489 218042315 /nfs/dbraw/zinc/04/23/15/218042315.db2.gz UKHUXFZXGBCLJA-KXBFYZLASA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000284472489 218042316 /nfs/dbraw/zinc/04/23/16/218042316.db2.gz UKHUXFZXGBCLJA-KXBFYZLASA-N 2 1 312.461 2.729 20 0 DFADMP C[NH+](C)[C@@H]1CCc2ccccc2N(Cc2c[nH+]c3n2CCC3)C1 ZINC000623283649 399353064 /nfs/dbraw/zinc/35/30/64/399353064.db2.gz BMISMRYQZSNFRI-MRXNPFEDSA-N 2 1 310.445 2.712 20 0 DFADMP COc1cc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc(OC)c1 ZINC000105443813 194103882 /nfs/dbraw/zinc/10/38/82/194103882.db2.gz IATCYMXGAZVMIH-CYBMUJFWSA-N 2 1 303.406 2.635 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)s1 ZINC000105443177 194104793 /nfs/dbraw/zinc/10/47/93/194104793.db2.gz JNPHEBOVZQEISA-CYBMUJFWSA-N 2 1 321.494 2.920 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000623340512 399366482 /nfs/dbraw/zinc/36/64/82/399366482.db2.gz LJCAIAHVBDXVAO-GOEBONIOSA-N 2 1 313.449 2.791 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(-n2cncn2)cc1 ZINC000623340514 399366665 /nfs/dbraw/zinc/36/66/65/399366665.db2.gz LJCAIAHVBDXVAO-ZBFHGGJFSA-N 2 1 313.449 2.791 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)CC1(C)C ZINC000623346778 399368123 /nfs/dbraw/zinc/36/81/23/399368123.db2.gz BXHLEJFVNHRZKR-QGZVFWFLSA-N 2 1 301.478 2.902 20 0 DFADMP C[C@@H](C[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)N1CCc2sccc2C1 ZINC000623347624 399368975 /nfs/dbraw/zinc/36/89/75/399368975.db2.gz GEAZEJPFWRCMEX-HOCLYGCPSA-N 2 1 321.534 2.957 20 0 DFADMP CCSCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601962740 399370027 /nfs/dbraw/zinc/37/00/27/399370027.db2.gz ACUBYKMUFBTVMS-WMZOPIPTSA-N 2 1 322.518 2.745 20 0 DFADMP CCSCC[C@H](C)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601962740 399370029 /nfs/dbraw/zinc/37/00/29/399370029.db2.gz ACUBYKMUFBTVMS-WMZOPIPTSA-N 2 1 322.518 2.745 20 0 DFADMP COc1ccc(CC[NH+]2CCC(Cc3[nH+]ccn3C)CC2)cc1 ZINC000105875948 194153814 /nfs/dbraw/zinc/15/38/14/194153814.db2.gz LBBMITGGBYQEIA-UHFFFAOYSA-N 2 1 313.445 2.926 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623363352 399372571 /nfs/dbraw/zinc/37/25/71/399372571.db2.gz POVDELUFYXJPJL-UHFFFAOYSA-N 2 1 308.376 2.716 20 0 DFADMP C[NH+](C)C[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370439 399374424 /nfs/dbraw/zinc/37/44/24/399374424.db2.gz KAVVDHMBBCFDEJ-ZWKOTPCHSA-N 2 1 303.494 2.622 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000106388483 194206255 /nfs/dbraw/zinc/20/62/55/194206255.db2.gz MSHUKNKPUGXJCO-UHFFFAOYSA-N 2 1 307.413 2.570 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000106388483 194206257 /nfs/dbraw/zinc/20/62/57/194206257.db2.gz MSHUKNKPUGXJCO-UHFFFAOYSA-N 2 1 307.413 2.570 20 0 DFADMP COc1ccccc1OCCC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623401344 399380653 /nfs/dbraw/zinc/38/06/53/399380653.db2.gz XQRZCZWOWHMZRW-OAHLLOKOSA-N 2 1 306.450 2.927 20 0 DFADMP Cn1c(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)nc2cc(F)ccc21 ZINC000623425935 399386746 /nfs/dbraw/zinc/38/67/46/399386746.db2.gz VIVIYEAZLZJEHI-CQSZACIVSA-N 2 1 318.440 2.717 20 0 DFADMP CCOC1CC(C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000285346198 218390673 /nfs/dbraw/zinc/39/06/73/218390673.db2.gz PPFUUCRNMZENCU-REPIYIIUSA-N 2 1 314.473 2.865 20 0 DFADMP CCOC1CC(C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000285346198 218390675 /nfs/dbraw/zinc/39/06/75/218390675.db2.gz PPFUUCRNMZENCU-REPIYIIUSA-N 2 1 314.473 2.865 20 0 DFADMP CCOC1CC(C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000285346198 218390677 /nfs/dbraw/zinc/39/06/77/218390677.db2.gz PPFUUCRNMZENCU-REPIYIIUSA-N 2 1 314.473 2.865 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCc2nnc(-c3ccccc3)o2)CC1(C)C ZINC000623438401 399389629 /nfs/dbraw/zinc/38/96/29/399389629.db2.gz YYUVGTXPLFATSM-OAHLLOKOSA-N 2 1 314.433 2.742 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)n1 ZINC000623442378 399391108 /nfs/dbraw/zinc/39/11/08/399391108.db2.gz MPLNLDMJCYUTAL-NRXISQOPSA-N 2 1 306.454 2.867 20 0 DFADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C1CC1 ZINC000268835004 207000674 /nfs/dbraw/zinc/00/06/74/207000674.db2.gz AWJVHINBUGDYNN-FUHIMQAGSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@H+](C)C1CC1 ZINC000268835004 207000678 /nfs/dbraw/zinc/00/06/78/207000678.db2.gz AWJVHINBUGDYNN-FUHIMQAGSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H](CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C)[N@@H+](C)C1CC1 ZINC000268835004 207000681 /nfs/dbraw/zinc/00/06/81/207000681.db2.gz AWJVHINBUGDYNN-FUHIMQAGSA-N 2 1 315.505 2.969 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@H]3CCc4[nH]cnc4C3)ccc21 ZINC000615874941 399393543 /nfs/dbraw/zinc/39/35/43/399393543.db2.gz ZUZTWUGVDDAALF-SCLBCKFNSA-N 2 1 324.428 2.702 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)cc1OC ZINC000422562404 296312575 /nfs/dbraw/zinc/31/25/75/296312575.db2.gz PXOOHNOSECGFGV-DZKIICNBSA-N 2 1 306.450 2.899 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc([S@@](C)=O)cc1 ZINC000268843192 207007662 /nfs/dbraw/zinc/00/76/62/207007662.db2.gz IJSRVEJAKMDRSK-LRTDBIEQSA-N 2 1 305.447 2.670 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000262319120 296312879 /nfs/dbraw/zinc/31/28/79/296312879.db2.gz VHFLKDWRXQEACZ-XDNAFOTISA-N 2 1 321.509 2.617 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1(C)C ZINC000623467161 399396405 /nfs/dbraw/zinc/39/64/05/399396405.db2.gz ZMJOOXNXTMQVEI-HUUCEWRRSA-N 2 1 312.523 2.894 20 0 DFADMP COc1cc(NCC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1 ZINC000623470634 399396637 /nfs/dbraw/zinc/39/66/37/399396637.db2.gz UKJVLQVNNOWUTB-CQSZACIVSA-N 2 1 321.465 2.578 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccn(-c2ccccc2)n1 ZINC000268887915 207057193 /nfs/dbraw/zinc/05/71/93/207057193.db2.gz XOEAYZZJSPTGQH-MDZRGWNJSA-N 2 1 312.461 2.733 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[NH+]3CCC4(CC[NH2+]4)CC3)cc2)n1 ZINC000422625068 296316380 /nfs/dbraw/zinc/31/63/80/296316380.db2.gz ANQFQIBHVXHTHU-UHFFFAOYSA-N 2 1 310.445 2.817 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623484968 399399792 /nfs/dbraw/zinc/39/97/92/399399792.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484968 399399794 /nfs/dbraw/zinc/39/97/94/399399794.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](C[NH+](C)Cc1ccccc1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484968 399399795 /nfs/dbraw/zinc/39/97/95/399399795.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623484968 399399797 /nfs/dbraw/zinc/39/97/97/399399797.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623484968 399399799 /nfs/dbraw/zinc/39/97/99/399399799.db2.gz JBMAHAJTQGCWRQ-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP COc1cccc2c1CC[C@@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000268925743 207090514 /nfs/dbraw/zinc/09/05/14/207090514.db2.gz PTWLLOLPVNDUOR-QAPCUYQASA-N 2 1 318.461 2.509 20 0 DFADMP CC(C)(CN[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422705521 296319136 /nfs/dbraw/zinc/31/91/36/296319136.db2.gz RTZIQLXVFQURII-SFHVURJKSA-N 2 1 301.478 2.555 20 0 DFADMP CC(C)(CN[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422705521 296319137 /nfs/dbraw/zinc/31/91/37/296319137.db2.gz RTZIQLXVFQURII-SFHVURJKSA-N 2 1 301.478 2.555 20 0 DFADMP CCCC[N@@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422706640 296319285 /nfs/dbraw/zinc/31/92/85/296319285.db2.gz FQLMHVWFMVQQEK-OALUTQOASA-N 2 1 319.493 2.810 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)c1ccc(F)cc1 ZINC000422714449 296320492 /nfs/dbraw/zinc/32/04/92/296320492.db2.gz RARAVYOFGVOOBV-FCGDIQPGSA-N 2 1 319.468 2.939 20 0 DFADMP C[C@@H]([NH2+]CCc1cc(Br)ccc1F)[C@@H]1CCC[NH2+]1 ZINC000422709077 296319745 /nfs/dbraw/zinc/31/97/45/296319745.db2.gz YPQIHUKVGZMCPB-YGRLFVJLSA-N 2 1 315.230 2.861 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422712327 296320092 /nfs/dbraw/zinc/32/00/92/296320092.db2.gz IISOJWCEBFWJGC-ZCNNSNEGSA-N 2 1 315.505 2.801 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]([S@@](=O)CC)C2)CC1 ZINC000610831286 399410818 /nfs/dbraw/zinc/41/08/18/399410818.db2.gz PUWPCLGHCFTVIW-QINHECLXSA-N 2 1 300.512 2.530 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714603 296320539 /nfs/dbraw/zinc/32/05/39/296320539.db2.gz LFXUVNXCJZVJFC-MISYRCLQSA-N 3 1 315.505 2.529 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714603 296320540 /nfs/dbraw/zinc/32/05/40/296320540.db2.gz LFXUVNXCJZVJFC-MISYRCLQSA-N 2 1 315.505 2.529 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714603 296320542 /nfs/dbraw/zinc/32/05/42/296320542.db2.gz LFXUVNXCJZVJFC-MISYRCLQSA-N 2 1 315.505 2.529 20 0 DFADMP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c1=O ZINC000623530743 399409739 /nfs/dbraw/zinc/40/97/39/399409739.db2.gz LPJHTIPPXIMBPL-INIZCTEOSA-N 2 1 313.445 2.501 20 0 DFADMP Cn1c2ccccc2cc(C[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)c1=O ZINC000623530743 399409741 /nfs/dbraw/zinc/40/97/41/399409741.db2.gz LPJHTIPPXIMBPL-INIZCTEOSA-N 2 1 313.445 2.501 20 0 DFADMP CC[C@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422722923 296321700 /nfs/dbraw/zinc/32/17/00/296321700.db2.gz ZCVNHHPOACEFNN-AABGKKOBSA-N 2 1 315.505 2.671 20 0 DFADMP CC[C@@H](NC[C@H](C)[N@@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722214 296321865 /nfs/dbraw/zinc/32/18/65/296321865.db2.gz XERCBWMNZQQGOY-IMJJTQAJSA-N 2 1 307.507 2.615 20 0 DFADMP CC[C@@H](NC[C@H](C)[N@H+]1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722214 296321866 /nfs/dbraw/zinc/32/18/66/296321866.db2.gz XERCBWMNZQQGOY-IMJJTQAJSA-N 2 1 307.507 2.615 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](C)N1CCc2sccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422722214 296321867 /nfs/dbraw/zinc/32/18/67/296321867.db2.gz XERCBWMNZQQGOY-IMJJTQAJSA-N 2 1 307.507 2.615 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)[C@@H](C)C1 ZINC000268971032 207135945 /nfs/dbraw/zinc/13/59/45/207135945.db2.gz ZYBQGBDIXFVIHQ-SNRMKQJTSA-N 2 1 320.477 2.827 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2nsnc21 ZINC000268985594 207144538 /nfs/dbraw/zinc/14/45/38/207144538.db2.gz FOGUISQLLIOVJA-CQSZACIVSA-N 2 1 304.463 2.998 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2nsnc21 ZINC000268985594 207144542 /nfs/dbraw/zinc/14/45/42/207144542.db2.gz FOGUISQLLIOVJA-CQSZACIVSA-N 2 1 304.463 2.998 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2nsnc21 ZINC000268985594 207144547 /nfs/dbraw/zinc/14/45/47/207144547.db2.gz FOGUISQLLIOVJA-CQSZACIVSA-N 2 1 304.463 2.998 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2nsnc21 ZINC000268985594 207144551 /nfs/dbraw/zinc/14/45/51/207144551.db2.gz FOGUISQLLIOVJA-CQSZACIVSA-N 2 1 304.463 2.998 20 0 DFADMP CCc1ccc([C@H](CN[C@H]2CCCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000422729473 296322772 /nfs/dbraw/zinc/32/27/72/296322772.db2.gz IDWGLGIKUQBFEL-QYZOEREBSA-N 2 1 303.494 2.959 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H](c1cccs1)N1CCCC1 ZINC000422731444 296323086 /nfs/dbraw/zinc/32/30/86/296323086.db2.gz LRVWARKICLOGSJ-OAGGEKHMSA-N 2 1 307.507 2.863 20 0 DFADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1OC ZINC000422732213 296323125 /nfs/dbraw/zinc/32/31/25/296323125.db2.gz NMSLOZFLTHCMLK-PBHICJAKSA-N 2 1 314.429 2.752 20 0 DFADMP COc1ccc([C@H](NC[C@@H](C)[N@@H+](C)C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422732685 296323544 /nfs/dbraw/zinc/32/35/44/296323544.db2.gz AGZUIQWGJOUJIN-CCKFTAQKSA-N 2 1 317.477 2.561 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@H+](C)C2)c(OC)c1OC ZINC000623655298 399435767 /nfs/dbraw/zinc/43/57/67/399435767.db2.gz UJITZRGVTCSDGN-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(OC)c1OC ZINC000623655298 399435769 /nfs/dbraw/zinc/43/57/69/399435769.db2.gz UJITZRGVTCSDGN-AWEZNQCLSA-N 2 1 322.449 2.534 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000623656822 399436422 /nfs/dbraw/zinc/43/64/22/399436422.db2.gz CPHAVEWISYNDTF-OAHLLOKOSA-N 2 1 316.449 2.810 20 0 DFADMP COC(=O)c1oc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000611140167 399438184 /nfs/dbraw/zinc/43/81/84/399438184.db2.gz RPXRYTDLUSTOEP-OAHLLOKOSA-N 2 1 320.433 2.538 20 0 DFADMP Cn1cc(C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)c(-c2cccs2)n1 ZINC000623657730 399438239 /nfs/dbraw/zinc/43/82/39/399438239.db2.gz XQDBKTVQOVXMNV-AWEZNQCLSA-N 2 1 318.490 2.970 20 0 DFADMP COC(=O)c1oc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1C ZINC000611140166 399438271 /nfs/dbraw/zinc/43/82/71/399438271.db2.gz RPXRYTDLUSTOEP-HNNXBMFYSA-N 2 1 320.433 2.538 20 0 DFADMP C[C@@H](O)C[C@@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000269076033 207223812 /nfs/dbraw/zinc/22/38/12/207223812.db2.gz YMMGZUKQYCDZJA-IAGOWNOFSA-N 2 1 304.478 2.690 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cc(C(=O)OC)cs2)[C@H](C)C1 ZINC000602475645 399455021 /nfs/dbraw/zinc/45/50/21/399455021.db2.gz LXTBOYWVYDEJDH-IUODEOHRSA-N 2 1 310.463 2.697 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCC[N@@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195090 184277568 /nfs/dbraw/zinc/27/75/68/184277568.db2.gz DAQLWBOAZSDVJU-WFASDCNBSA-N 2 1 309.841 2.870 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCC[N@H+]1CCC(=O)Nc1ccccc1Cl ZINC000063195090 184277570 /nfs/dbraw/zinc/27/75/70/184277570.db2.gz DAQLWBOAZSDVJU-WFASDCNBSA-N 2 1 309.841 2.870 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129718 207261718 /nfs/dbraw/zinc/26/17/18/207261718.db2.gz IUIZWJAEZCFJTC-IEBWSBKVSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129718 207261722 /nfs/dbraw/zinc/26/17/22/207261722.db2.gz IUIZWJAEZCFJTC-IEBWSBKVSA-N 2 1 302.462 2.843 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCCO)[C@@H]1CCc2ccccc21 ZINC000269129718 207261725 /nfs/dbraw/zinc/26/17/25/207261725.db2.gz IUIZWJAEZCFJTC-IEBWSBKVSA-N 2 1 302.462 2.843 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC([C@H](O)c2ccccc2)CC1 ZINC000269138759 207269414 /nfs/dbraw/zinc/26/94/14/207269414.db2.gz YQOYSQAYSABZDX-RBUKOAKNSA-N 2 1 302.462 2.916 20 0 DFADMP CCCCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000064508632 184298681 /nfs/dbraw/zinc/29/86/81/184298681.db2.gz HBZIQVIALPBYQX-UHFFFAOYSA-N 2 1 309.498 2.630 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)[nH]1 ZINC000602513259 399464951 /nfs/dbraw/zinc/46/49/51/399464951.db2.gz FJOJKIAVLPIMFQ-HNNXBMFYSA-N 2 1 321.465 2.793 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[nH]c1C ZINC000602513298 399465052 /nfs/dbraw/zinc/46/50/52/399465052.db2.gz FRIIEQZCELHOLM-CQSZACIVSA-N 2 1 321.465 2.711 20 0 DFADMP CC[C@H](NC[C@H](c1ccccc1OC)[NH+](C)C)[C@H]1CCCC[NH2+]1 ZINC000422740669 296324398 /nfs/dbraw/zinc/32/43/98/296324398.db2.gz CGJDXTMMVKSYLF-RCCFBDPRSA-N 2 1 319.493 2.808 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@](C)(C[NH3+])C2CC2)cc1 ZINC000269215271 207333929 /nfs/dbraw/zinc/33/39/29/207333929.db2.gz PHGKXYQNFOLXQW-LJQANCHMSA-N 2 1 317.477 2.776 20 0 DFADMP CC[C@H](C(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422735829 296323905 /nfs/dbraw/zinc/32/39/05/296323905.db2.gz WTUBLPXVMAETLR-KBAYOESNSA-N 2 1 317.477 2.625 20 0 DFADMP CC[N@H+]1CCC[C@H](N[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)C1 ZINC000422738524 296323978 /nfs/dbraw/zinc/32/39/78/296323978.db2.gz JOBAXRSLEQYDAQ-YTQUADARSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000422737196 296324095 /nfs/dbraw/zinc/32/40/95/296324095.db2.gz ZCHZZCMSBYDWHY-VXGBXAGGSA-N 2 1 302.340 2.715 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)c1 ZINC000602543337 399471681 /nfs/dbraw/zinc/47/16/81/399471681.db2.gz BHJSFSVHWNOOKS-ZDUSSCGKSA-N 2 1 310.463 2.745 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000602543337 399471684 /nfs/dbraw/zinc/47/16/84/399471684.db2.gz BHJSFSVHWNOOKS-ZDUSSCGKSA-N 2 1 310.463 2.745 20 0 DFADMP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC[C@H]3[NH3+])c2)CC1 ZINC000422740115 296324506 /nfs/dbraw/zinc/32/45/06/296324506.db2.gz MIOZGWMBKJHPEN-RTBURBONSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000422747202 296325765 /nfs/dbraw/zinc/32/57/65/296325765.db2.gz PLYHFWKKZWPQFY-WMZOPIPTSA-N 2 1 301.478 2.944 20 0 DFADMP COc1ccccc1[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])N1CCCC1 ZINC000422748586 296325779 /nfs/dbraw/zinc/32/57/79/296325779.db2.gz VEZJIGUZQNOSTF-NJAFHUGGSA-N 2 1 317.477 2.549 20 0 DFADMP O=C1[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCN1C1CCC1 ZINC000623842445 399477215 /nfs/dbraw/zinc/47/72/15/399477215.db2.gz NXTOPUTUYFHFBW-SFHVURJKSA-N 2 1 319.493 2.527 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC(C)C)C2)[nH]c1C ZINC000602575266 399480396 /nfs/dbraw/zinc/48/03/96/399480396.db2.gz QUSLDIXYIWOBEF-HNNXBMFYSA-N 2 1 321.465 2.567 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)[nH]c1C ZINC000602575266 399480397 /nfs/dbraw/zinc/48/03/97/399480397.db2.gz QUSLDIXYIWOBEF-HNNXBMFYSA-N 2 1 321.465 2.567 20 0 DFADMP CC[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422761523 296328486 /nfs/dbraw/zinc/32/84/86/296328486.db2.gz MVQDVGBLZMHTKV-CEXWTWQISA-N 2 1 301.478 2.771 20 0 DFADMP COc1ccc([C@@H](C[NH2+][C@H]2CCC[NH2+]CC2)N2CCCC2)cc1 ZINC000422760596 296328491 /nfs/dbraw/zinc/32/84/91/296328491.db2.gz QILPCFNZKBMEMK-PKOBYXMFSA-N 2 1 317.477 2.564 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422765222 296329082 /nfs/dbraw/zinc/32/90/82/296329082.db2.gz QPVIBZJZOCWMKP-USXIJHARSA-N 2 1 305.441 2.833 20 0 DFADMP COc1ccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422764194 296329276 /nfs/dbraw/zinc/32/92/76/296329276.db2.gz UWFDYSJMYDWVRX-DAYGRLMNSA-N 2 1 305.466 2.548 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCN(c2cccc(F)c2)C1)[C@H]1CCCC[NH2+]1 ZINC000422769675 296329979 /nfs/dbraw/zinc/32/99/79/296329979.db2.gz VZZTUVLKLGUIAH-QILLFSRXSA-N 2 1 305.441 2.915 20 0 DFADMP CC[C@H]([NH2+]CCc1cc(OC)ccc1OC)[C@@H]1CCCC[NH2+]1 ZINC000422770728 296330178 /nfs/dbraw/zinc/33/01/78/296330178.db2.gz XBONOAITORNRIL-IRXDYDNUSA-N 2 1 306.450 2.757 20 0 DFADMP COc1ccc([C@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422776793 296331165 /nfs/dbraw/zinc/33/11/65/296331165.db2.gz DMSKEPSXTDHEDV-FXECBMLZSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H](NCc1ccccc1C[NH+]1CCCCC1)[C@H]1CC[NH2+]C1 ZINC000422788416 296333038 /nfs/dbraw/zinc/33/30/38/296333038.db2.gz NKBRBBDWKJHRAF-IRXDYDNUSA-N 2 1 301.478 2.760 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCOC[C@@H]3CCOC3)CC[NH2+]2)cc1 ZINC000422788708 296333041 /nfs/dbraw/zinc/33/30/41/296333041.db2.gz STTVIWNBYJXWMM-WDSOQIARSA-N 2 1 318.461 2.513 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H](C)C[C@H](C)[NH3+])c1cccc(OC)c1 ZINC000422793496 296333615 /nfs/dbraw/zinc/33/36/15/296333615.db2.gz FPROJBNYBBIKQR-HDMKZQKVSA-N 2 1 307.482 2.794 20 0 DFADMP Cc1csc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)n1 ZINC000623927064 399496548 /nfs/dbraw/zinc/49/65/48/399496548.db2.gz XFJADJCBAXTLNH-CYBMUJFWSA-N 2 1 320.462 2.638 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[NH2+]CC1)c1cccc(OC)c1 ZINC000422794833 296334089 /nfs/dbraw/zinc/33/40/89/296334089.db2.gz GYVQVPZKBZWIDT-IEBWSBKVSA-N 2 1 319.493 2.810 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])cc1 ZINC000422807736 296336761 /nfs/dbraw/zinc/33/67/61/296336761.db2.gz PHWRQJABCGKPEW-IFXJQAMLSA-N 2 1 311.429 2.693 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])cc1 ZINC000422807737 296336537 /nfs/dbraw/zinc/33/65/37/296336537.db2.gz PHWRQJABCGKPEW-KUHUBIRLSA-N 2 1 311.429 2.693 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1C[NH3+] ZINC000631842679 399505938 /nfs/dbraw/zinc/50/59/38/399505938.db2.gz DMKNOOZAPMWAJU-YPMHNXCESA-N 2 1 310.825 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cc(Cl)c3c(c2)OCCCO3)C[C@@H]1C[NH3+] ZINC000631842679 399505942 /nfs/dbraw/zinc/50/59/42/399505942.db2.gz DMKNOOZAPMWAJU-YPMHNXCESA-N 2 1 310.825 2.528 20 0 DFADMP C[N@@H+](CCN[C@@H]1C[C@@H]([NH3+])c2ccccc21)Cc1ccc(F)cc1 ZINC000422818997 296339176 /nfs/dbraw/zinc/33/91/76/296339176.db2.gz LXRXGOOPOXTYHG-RTBURBONSA-N 2 1 313.420 2.992 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OCC(F)(F)F ZINC000422825357 296339968 /nfs/dbraw/zinc/33/99/68/296339968.db2.gz JPBLNNAYRMVPAN-NWDGAFQWSA-N 2 1 318.339 2.606 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000422820928 296339369 /nfs/dbraw/zinc/33/93/69/296339369.db2.gz SWSLLNQCQZDIPH-QFBILLFUSA-N 2 1 324.472 2.730 20 0 DFADMP COc1ccc(C[NH2+]C2CC[NH2+]CC2)c(OC2CCCC2)c1 ZINC000422822166 296339391 /nfs/dbraw/zinc/33/93/91/296339391.db2.gz JIBCCSNRWQZHJE-UHFFFAOYSA-N 2 1 304.434 2.858 20 0 DFADMP C[C@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631846251 399508028 /nfs/dbraw/zinc/50/80/28/399508028.db2.gz WXXPFNYYUGVBSM-KUHUBIRLSA-N 2 1 321.428 2.898 20 0 DFADMP C[C@H](c1cccc2ccccc21)[N@H+]1CC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000631845833 399508334 /nfs/dbraw/zinc/50/83/34/399508334.db2.gz MDFKKXHYHVEARP-PBHICJAKSA-N 2 1 321.428 2.898 20 0 DFADMP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1nccs1)c1ccccc1 ZINC000422829624 296340626 /nfs/dbraw/zinc/34/06/26/296340626.db2.gz QAPUSRGTHCNJEN-LSDHHAIUSA-N 2 1 305.447 2.576 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]1 ZINC000422834949 296341880 /nfs/dbraw/zinc/34/18/80/296341880.db2.gz HZWQVDBPUJQBGD-VYDXJSESSA-N 2 1 307.507 2.690 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCNc3ccccn3)CC[NH2+]2)cc1 ZINC000422836953 296341993 /nfs/dbraw/zinc/34/19/93/296341993.db2.gz SHGQOBNKRZEQHY-ROUUACIJSA-N 2 1 310.445 2.967 20 0 DFADMP C1CCC([NH+]2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)C1 ZINC000422840899 296342589 /nfs/dbraw/zinc/34/25/89/296342589.db2.gz USXREOQUSAYDHU-CEXWTWQISA-N 3 1 305.510 2.904 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000422866687 296346973 /nfs/dbraw/zinc/34/69/73/296346973.db2.gz QROSBZUVTNRBJS-STQMWFEESA-N 2 1 317.355 2.772 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000422858785 296345817 /nfs/dbraw/zinc/34/58/17/296345817.db2.gz JGDMZILVDLPLCN-RTBURBONSA-N 2 1 312.413 2.946 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1 ZINC000422858784 296345907 /nfs/dbraw/zinc/34/59/07/296345907.db2.gz JGDMZILVDLPLCN-RBUKOAKNSA-N 2 1 312.413 2.946 20 0 DFADMP CC[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422866063 296347139 /nfs/dbraw/zinc/34/71/39/296347139.db2.gz PPHRYZBXYHOQOG-KZNAEPCWSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866514 296347186 /nfs/dbraw/zinc/34/71/86/296347186.db2.gz QLQUTAWKDNYOKM-JKSUJKDBSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H](NCc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866514 296347187 /nfs/dbraw/zinc/34/71/87/296347187.db2.gz QLQUTAWKDNYOKM-JKSUJKDBSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@@H](NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000422866514 296347189 /nfs/dbraw/zinc/34/71/89/296347189.db2.gz QLQUTAWKDNYOKM-JKSUJKDBSA-N 2 1 301.478 2.616 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccccc2C[NH2+]C2CC[NH2+]CC2)C1 ZINC000422878635 296349126 /nfs/dbraw/zinc/34/91/26/296349126.db2.gz JKQKBTLWGLOHPW-INIZCTEOSA-N 3 1 301.478 2.760 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccccc2CNC2CC[NH2+]CC2)C1 ZINC000422878635 296349127 /nfs/dbraw/zinc/34/91/27/296349127.db2.gz JKQKBTLWGLOHPW-INIZCTEOSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccccc2CNC2CC[NH2+]CC2)C1 ZINC000422878635 296349129 /nfs/dbraw/zinc/34/91/29/296349129.db2.gz JKQKBTLWGLOHPW-INIZCTEOSA-N 2 1 301.478 2.760 20 0 DFADMP CC[C@H](N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422879651 296349325 /nfs/dbraw/zinc/34/93/25/296349325.db2.gz VVJPCLYEIAVLRK-BVBHFADKSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422873756 296348517 /nfs/dbraw/zinc/34/85/17/296348517.db2.gz MBFOMZVZAUHZIA-CAMMJAKZSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000422875573 296348804 /nfs/dbraw/zinc/34/88/04/296348804.db2.gz PFRLDJJEACABJC-JFRXWTBNSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000422875573 296348805 /nfs/dbraw/zinc/34/88/05/296348805.db2.gz PFRLDJJEACABJC-JFRXWTBNSA-N 2 1 301.478 2.627 20 0 DFADMP COC1CC([NH2+][C@H]2[C@H](C)C[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000347391157 285027961 /nfs/dbraw/zinc/02/79/61/285027961.db2.gz NZXULYKMAFAJSQ-UANBCIQASA-N 2 1 302.462 2.910 20 0 DFADMP CC[C@H](C(=O)NCC([NH3+])(CC)CC)[N@@H+](C)Cc1ccccc1 ZINC000422883799 296350092 /nfs/dbraw/zinc/35/00/92/296350092.db2.gz VOEMUGXGRDSETC-MRXNPFEDSA-N 2 1 305.466 2.531 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422880774 296349830 /nfs/dbraw/zinc/34/98/30/296349830.db2.gz MRYWXTZJKUQYRK-JKSUJKDBSA-N 3 1 301.478 2.759 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422880774 296349831 /nfs/dbraw/zinc/34/98/31/296349831.db2.gz MRYWXTZJKUQYRK-JKSUJKDBSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@@H](NCc1ccccc1C[N@H+]1CCCC[C@@H]1C)C1C[NH2+]C1 ZINC000422880774 296349833 /nfs/dbraw/zinc/34/98/33/296349833.db2.gz MRYWXTZJKUQYRK-JKSUJKDBSA-N 2 1 301.478 2.759 20 0 DFADMP COC(=O)c1ccc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000119616031 195002995 /nfs/dbraw/zinc/00/29/95/195002995.db2.gz ISRBXGUOHIIVJI-ZDUSSCGKSA-N 2 1 319.430 2.704 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)s1 ZINC000119616031 195002996 /nfs/dbraw/zinc/00/29/96/195002996.db2.gz ISRBXGUOHIIVJI-ZDUSSCGKSA-N 2 1 319.430 2.704 20 0 DFADMP Cc1noc(C)c1CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000119669298 195013253 /nfs/dbraw/zinc/01/32/53/195013253.db2.gz DIPYBOFJMTWNGY-CRAIPNDOSA-N 2 1 303.450 2.783 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000119669298 195013256 /nfs/dbraw/zinc/01/32/56/195013256.db2.gz DIPYBOFJMTWNGY-CRAIPNDOSA-N 2 1 303.450 2.783 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000119669298 195013258 /nfs/dbraw/zinc/01/32/58/195013258.db2.gz DIPYBOFJMTWNGY-CRAIPNDOSA-N 2 1 303.450 2.783 20 0 DFADMP CC[C@H](NCc1ccc(-n2cc[nH+]c2C)c(F)c1)[C@@H]1CCC[NH2+]1 ZINC000422901653 296353173 /nfs/dbraw/zinc/35/31/73/296353173.db2.gz LJTKPAGRXSFTPI-IRXDYDNUSA-N 2 1 316.424 2.940 20 0 DFADMP C[C@H](NCc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1)C1C[NH2+]C1 ZINC000422893988 296351817 /nfs/dbraw/zinc/35/18/17/296351817.db2.gz RXEYBXZEKKSSCO-ZACQAIPSSA-N 2 1 315.505 2.862 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422892556 296351827 /nfs/dbraw/zinc/35/18/27/296351827.db2.gz NHAPWHUGIXCOFT-SJORKVTESA-N 2 1 303.450 2.576 20 0 DFADMP Fc1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)nc1 ZINC000422895431 296352306 /nfs/dbraw/zinc/35/23/06/296352306.db2.gz VZBNQKWXEILHFX-WMZOPIPTSA-N 2 1 313.376 2.566 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000422898503 296352403 /nfs/dbraw/zinc/35/24/03/296352403.db2.gz MGOXKYXFIFBRFP-YOFSQIOKSA-N 2 1 313.489 2.832 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422897832 296352458 /nfs/dbraw/zinc/35/24/58/296352458.db2.gz KHGZVVDOSZTQCD-XLIONFOSSA-N 2 1 315.505 2.937 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422930024 296356847 /nfs/dbraw/zinc/35/68/47/296356847.db2.gz ATLRQLJZJSLPEM-WMLDXEAASA-N 2 1 310.445 2.578 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931729 296357038 /nfs/dbraw/zinc/35/70/38/296357038.db2.gz CQZBBYACYFVFCG-QMTHXVAHSA-N 2 1 315.230 2.718 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCOc1ncccc1Cl ZINC000422931567 296357163 /nfs/dbraw/zinc/35/71/63/296357163.db2.gz XVCKSWIKRLPZKA-XJKSGUPXSA-N 2 1 319.836 2.662 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(F)c(Br)c1 ZINC000422931730 296357334 /nfs/dbraw/zinc/35/73/34/296357334.db2.gz CQZBBYACYFVFCG-YGRLFVJLSA-N 2 1 315.230 2.718 20 0 DFADMP Cc1cccc(NCC[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000422924105 296356216 /nfs/dbraw/zinc/35/62/16/296356216.db2.gz XQPYIRXIVWSOHT-MSOLQXFVSA-N 2 1 310.445 2.885 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCCC(=O)Nc1ccc(Cl)cc1 ZINC000422942524 296358694 /nfs/dbraw/zinc/35/86/94/296358694.db2.gz KPHIHPOFWAVPPC-IUODEOHRSA-N 2 1 309.841 2.646 20 0 DFADMP COc1ccc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])cc1F ZINC000422934692 296357646 /nfs/dbraw/zinc/35/76/46/296357646.db2.gz GFWKUCWOEMNPPJ-GUYCJALGSA-N 2 1 302.393 2.882 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887298 399519835 /nfs/dbraw/zinc/51/98/35/399519835.db2.gz QDYPAQLGTYDTNW-CRAIPNDOSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887303 399519968 /nfs/dbraw/zinc/51/99/68/399519968.db2.gz QDYPAQLGTYDTNW-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1Cl ZINC000631888615 399520187 /nfs/dbraw/zinc/52/01/87/399520187.db2.gz XWBISWSFWFAQAA-XJKSGUPXSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]2C[NH2+]CC[C@H]21)Nc1ccccc1Cl ZINC000631888615 399520191 /nfs/dbraw/zinc/52/01/91/399520191.db2.gz XWBISWSFWFAQAA-XJKSGUPXSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@@H](Nc1cccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CC[NH2+]C1 ZINC000422956291 296360626 /nfs/dbraw/zinc/36/06/26/296360626.db2.gz PDAMFQHKXJSZNW-HPFXQQBRSA-N 2 1 317.477 2.706 20 0 DFADMP COc1cccc(SCC[N@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631889828 399520880 /nfs/dbraw/zinc/52/08/80/399520880.db2.gz KAYAAKMYWWMUTR-YOEHRIQHSA-N 2 1 306.475 2.861 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cn(C)nc1C(F)(F)F ZINC000422961840 296361307 /nfs/dbraw/zinc/36/13/07/296361307.db2.gz BEFFKDZBTUMRRV-WCQYABFASA-N 2 1 318.387 2.839 20 0 DFADMP COc1ccc([C@@H](NCCC[N@@H+](C)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422968546 296362652 /nfs/dbraw/zinc/36/26/52/296362652.db2.gz WXNYVVQBOSNZKW-RBUKOAKNSA-N 2 1 319.493 2.808 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)c1c[nH+]ccc1N ZINC000422968551 296362696 /nfs/dbraw/zinc/36/26/96/296362696.db2.gz WYRYLMWZIDQKMJ-RHSMWYFYSA-N 2 1 314.433 2.965 20 0 DFADMP CCC(CC)[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1)OC ZINC000422991453 296364502 /nfs/dbraw/zinc/36/45/02/296364502.db2.gz BBAKJRNGARIVGW-TVFCKZIOSA-N 2 1 312.498 2.574 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422992522 296364772 /nfs/dbraw/zinc/36/47/72/296364772.db2.gz CUZIDBYXTLVEEX-FCGDIQPGSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422992522 296364774 /nfs/dbraw/zinc/36/47/74/296364774.db2.gz CUZIDBYXTLVEEX-FCGDIQPGSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422992522 296364775 /nfs/dbraw/zinc/36/47/75/296364775.db2.gz CUZIDBYXTLVEEX-FCGDIQPGSA-N 2 1 307.526 2.865 20 0 DFADMP Cc1c(C[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)cnn1C ZINC000270168320 208233702 /nfs/dbraw/zinc/23/37/02/208233702.db2.gz CCISODMSXHTBRX-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP COc1ccc(Oc2ccc(CC[NH2+][C@@H]3CC[NH2+]C3)cc2)cc1 ZINC000423008862 296367149 /nfs/dbraw/zinc/36/71/49/296367149.db2.gz BJQPVFVKVMUYQT-MRXNPFEDSA-N 2 1 312.413 2.982 20 0 DFADMP CO[C@H](C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000625373106 399537743 /nfs/dbraw/zinc/53/77/43/399537743.db2.gz BVXXRWCZOXVTLL-WMLDXEAASA-N 2 1 317.408 2.904 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1)c1ccc(F)cc1 ZINC000625373106 399537749 /nfs/dbraw/zinc/53/77/49/399537749.db2.gz BVXXRWCZOXVTLL-WMLDXEAASA-N 2 1 317.408 2.904 20 0 DFADMP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423018067 296368390 /nfs/dbraw/zinc/36/83/90/296368390.db2.gz QAZJBXMDPQLVIU-SQNIBIBYSA-N 2 1 302.462 2.866 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@@H]1CCCC[NH2+]1 ZINC000423018342 296368563 /nfs/dbraw/zinc/36/85/63/296368563.db2.gz YOYLKJLXUOWGTK-UXLLHSPISA-N 2 1 305.441 2.915 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C[NH3+])C[C@@H]2C)cc1)C(C)C ZINC000261889907 285098142 /nfs/dbraw/zinc/09/81/42/285098142.db2.gz VGGJSYLFWUPEID-RDJZCZTQSA-N 2 1 317.477 2.726 20 0 DFADMP CC[NH+](CC)CC1CCN(Cc2ncc(C[NH+](C)C)s2)CC1 ZINC000347628948 285101583 /nfs/dbraw/zinc/10/15/83/285101583.db2.gz BLKCBZLKFJEXAC-UHFFFAOYSA-N 2 1 324.538 2.759 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423048823 296371915 /nfs/dbraw/zinc/37/19/15/296371915.db2.gz AEWJQHNVHJTUHH-GUDVDZBRSA-N 2 1 301.478 2.614 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423048823 296371916 /nfs/dbraw/zinc/37/19/16/296371916.db2.gz AEWJQHNVHJTUHH-GUDVDZBRSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H](NC[C@@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059357 296373261 /nfs/dbraw/zinc/37/32/61/296373261.db2.gz FKIDQLCDZVIJQG-IPELMVKDSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CCC[C@@H](C(F)(F)F)C1)[C@H]1CCCC[NH2+]1 ZINC000423064513 296373690 /nfs/dbraw/zinc/37/36/90/296373690.db2.gz RMUBOSMPAGQCLI-REWJHTLYSA-N 2 1 308.388 2.590 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000159283429 197342126 /nfs/dbraw/zinc/34/21/26/197342126.db2.gz RZLDEUSBYQAFNN-MRXNPFEDSA-N 3 1 319.493 2.762 20 0 DFADMP OC[C@H](Cc1ccccc1)[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423057334 296373055 /nfs/dbraw/zinc/37/30/55/296373055.db2.gz HBKOQTHTHOGBBI-AABGKKOBSA-N 2 1 310.441 2.673 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccco1)Cc1cc(CO)ccc1F ZINC000625429247 399552184 /nfs/dbraw/zinc/55/21/84/399552184.db2.gz UNZRVWYALGDPKN-UHFFFAOYSA-N 2 1 320.408 2.865 20 0 DFADMP CN(CCC[N@H+](C)Cc1cc(CO)ccc1F)Cc1ccco1 ZINC000625429247 399552187 /nfs/dbraw/zinc/55/21/87/399552187.db2.gz UNZRVWYALGDPKN-UHFFFAOYSA-N 2 1 320.408 2.865 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@@H](C)[C@H]1CC[NH2+]C1 ZINC000423067134 296374644 /nfs/dbraw/zinc/37/46/44/296374644.db2.gz YOCANYLBCWKOOD-QWRGUYRKSA-N 2 1 313.239 2.545 20 0 DFADMP c1cnn(CC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159012879 197319242 /nfs/dbraw/zinc/31/92/42/197319242.db2.gz KEKAFVUQLOYRCX-UXHICEINSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)c1 ZINC000159012879 197319244 /nfs/dbraw/zinc/31/92/44/197319244.db2.gz KEKAFVUQLOYRCX-UXHICEINSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)c1 ZINC000159012879 197319246 /nfs/dbraw/zinc/31/92/46/197319246.db2.gz KEKAFVUQLOYRCX-UXHICEINSA-N 2 1 324.472 2.870 20 0 DFADMP c1cnn(CC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3Cc3ccccc3)C2)c1 ZINC000159012879 197319248 /nfs/dbraw/zinc/31/92/48/197319248.db2.gz KEKAFVUQLOYRCX-UXHICEINSA-N 2 1 324.472 2.870 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1)[C@H]1CCCC[NH2+]1 ZINC000423076285 296375698 /nfs/dbraw/zinc/37/56/98/296375698.db2.gz QTHIIWUYGKVHPV-OKYOBFRVSA-N 2 1 320.452 2.802 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(S(=O)(=O)CC)cc2)CC1 ZINC000158805890 197302690 /nfs/dbraw/zinc/30/26/90/197302690.db2.gz OBDXMFUWDWANDA-CQSZACIVSA-N 2 1 324.490 2.615 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423095445 296377991 /nfs/dbraw/zinc/37/79/91/296377991.db2.gz MFHWJGAVTKVRGJ-XMTFNYHQSA-N 2 1 316.445 2.801 20 0 DFADMP C[C@H]([NH2+]CCc1cccc(OCC(F)(F)F)c1)[C@H]1CCC[NH2+]1 ZINC000423092096 296377404 /nfs/dbraw/zinc/37/74/04/296377404.db2.gz ANZSCYIQOWILIP-SWLSCSKDSA-N 2 1 316.367 2.900 20 0 DFADMP [NH3+]C[C@H]1CCC[C@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423100435 296378248 /nfs/dbraw/zinc/37/82/48/296378248.db2.gz BSBXWPLLHDQROX-AMIZOPFISA-N 2 1 319.193 2.944 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423099978 296378255 /nfs/dbraw/zinc/37/82/55/296378255.db2.gz GAYBOIPHENKINQ-ZWKOTPCHSA-N 2 1 306.450 2.852 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)NCC(C)C)CC1 ZINC000120241589 195125712 /nfs/dbraw/zinc/12/57/12/195125712.db2.gz DVYDNIHWZOHYAM-MRXNPFEDSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423112618 296379996 /nfs/dbraw/zinc/37/99/96/296379996.db2.gz SFMUWUQOBGCXCG-YUMQZZPRSA-N 2 1 307.182 2.943 20 0 DFADMP Cc1ccccc1[C@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423114636 296380029 /nfs/dbraw/zinc/38/00/29/296380029.db2.gz ZSYUHWACLDHOKT-FLFBIERCSA-N 2 1 314.473 2.988 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423113482 296380151 /nfs/dbraw/zinc/38/01/51/296380151.db2.gz UIQCLGVMDFLKMK-VAMGGRTRSA-N 2 1 310.441 2.673 20 0 DFADMP FC1(F)CCC(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CC1 ZINC000423114903 296380489 /nfs/dbraw/zinc/38/04/89/296380489.db2.gz MMCDIZYLBCEROX-RRFJBIMHSA-N 2 1 302.409 2.559 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119139 296380687 /nfs/dbraw/zinc/38/06/87/296380687.db2.gz BGXKZJYVUUHIOS-SZVBFZGTSA-N 2 1 317.477 2.561 20 0 DFADMP CC(C)N(C)C[C@@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119139 296380688 /nfs/dbraw/zinc/38/06/88/296380688.db2.gz BGXKZJYVUUHIOS-SZVBFZGTSA-N 2 1 317.477 2.561 20 0 DFADMP Clc1cc2c(s1)CC[C@@H]2N[C@@H](C1CC1)[C@@H]1C[NH2+]CCO1 ZINC000423119762 296380755 /nfs/dbraw/zinc/38/07/55/296380755.db2.gz DPQMYVGNBXERDR-HUBLWGQQSA-N 2 1 312.866 2.745 20 0 DFADMP C[C@H]([NH2+]CCc1cccc(C(F)(F)F)n1)[C@H]1CCCC[NH2+]1 ZINC000423125424 296381449 /nfs/dbraw/zinc/38/14/49/296381449.db2.gz ICCSMEJHIOFDBJ-WCQYABFASA-N 2 1 301.356 2.763 20 0 DFADMP C[C@@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423126116 296381565 /nfs/dbraw/zinc/38/15/65/296381565.db2.gz ARKVAGXRGVFYBX-RMMWZPCPSA-N 2 1 314.473 2.927 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH2+]CC1)c1ccc(F)c(Br)c1 ZINC000423130307 296382225 /nfs/dbraw/zinc/38/22/25/296382225.db2.gz GPIMJWWYMXJVPD-SECBINFHSA-N 2 1 301.203 2.991 20 0 DFADMP CC(C)Cc1ccc([C@H](C[NH2+]C2CC[NH2+]CC2)N(C)C)cc1 ZINC000423135939 296383090 /nfs/dbraw/zinc/38/30/90/296383090.db2.gz YKRJQJIOTUHBNO-IBGZPJMESA-N 2 1 303.494 2.829 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423130832 296382389 /nfs/dbraw/zinc/38/23/89/296382389.db2.gz SFNIUBSAVPSKKH-UHOSZYNNSA-N 2 1 319.493 2.794 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602779795 399567992 /nfs/dbraw/zinc/56/79/92/399567992.db2.gz RJDCXIGRZJWMEH-HOTGVXAUSA-N 2 1 319.449 2.776 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1[C@H](C(=O)OC(C)(C)C)C1CC1 ZINC000602779795 399567995 /nfs/dbraw/zinc/56/79/95/399567995.db2.gz RJDCXIGRZJWMEH-HOTGVXAUSA-N 2 1 319.449 2.776 20 0 DFADMP CSc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423147637 296385156 /nfs/dbraw/zinc/38/51/56/296385156.db2.gz SLWGFOFHFIALKI-LXZKKBNFSA-N 2 1 307.507 2.599 20 0 DFADMP Fc1ccc(C2CC2)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423149844 296385328 /nfs/dbraw/zinc/38/53/28/296385328.db2.gz XZHVEQXEZLQAKT-BHIYHBOVSA-N 2 1 318.436 2.950 20 0 DFADMP Cc1nc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])sc1Br ZINC000423162885 296387044 /nfs/dbraw/zinc/38/70/44/296387044.db2.gz URIMHUZDLULDOW-NXEZZACHSA-N 2 1 318.284 2.821 20 0 DFADMP Brc1cc2c(s1)CC[C@H]2[NH2+]C1CC[NH2+]CC1 ZINC000423180688 296388794 /nfs/dbraw/zinc/38/87/94/296388794.db2.gz IKVVROWRWULKOR-SNVBAGLBSA-N 2 1 301.253 2.840 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](CO)c2ccc(F)cc2)c2ccccc21 ZINC000423181651 296389342 /nfs/dbraw/zinc/38/93/42/296389342.db2.gz LHVJBYMECCBQLF-XWIAVFTESA-N 2 1 300.377 2.636 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C12CCCC2 ZINC000423185919 296389698 /nfs/dbraw/zinc/38/96/98/296389698.db2.gz KGCONPPBYCTMJF-MSOLQXFVSA-N 2 1 317.477 2.889 20 0 DFADMP Oc1ccc2c(c1)[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)CCC2 ZINC000423189929 296390383 /nfs/dbraw/zinc/39/03/83/296390383.db2.gz QHLRFDITOYMASE-IBGZPJMESA-N 2 1 311.429 2.934 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423195145 296390950 /nfs/dbraw/zinc/39/09/50/296390950.db2.gz SHPWNHIPHGWURQ-MUGJNUQGSA-N 3 1 313.489 2.629 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000423207754 296392556 /nfs/dbraw/zinc/39/25/56/296392556.db2.gz DMBUSRZPTKWYHL-CLJRNHLWSA-N 2 1 317.433 2.587 20 0 DFADMP C[C@@H]1[C@H](NC[C@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423214299 296392962 /nfs/dbraw/zinc/39/29/62/296392962.db2.gz OPFHOPKDHKHLON-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1[C@H](NC[C@H]2CCC[NH2+]C2)CCC[N@H+]1Cc1ccccc1 ZINC000423214299 296392963 /nfs/dbraw/zinc/39/29/63/296392963.db2.gz OPFHOPKDHKHLON-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP C[NH2+]CCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423201600 296391930 /nfs/dbraw/zinc/39/19/30/296391930.db2.gz PBCNMJVCAPDWQT-XUVXKRRUSA-N 2 1 315.505 2.876 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423201600 296391933 /nfs/dbraw/zinc/39/19/33/296391933.db2.gz PBCNMJVCAPDWQT-XUVXKRRUSA-N 3 1 315.505 2.876 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423201600 296391934 /nfs/dbraw/zinc/39/19/34/296391934.db2.gz PBCNMJVCAPDWQT-XUVXKRRUSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1[C@@H](NC[C@H]2CCC[NH2+]C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423214297 296393037 /nfs/dbraw/zinc/39/30/37/296393037.db2.gz OPFHOPKDHKHLON-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1[C@@H](NC[C@H]2CCC[NH2+]C2)CCC[N@H+]1Cc1ccccc1 ZINC000423214297 296393039 /nfs/dbraw/zinc/39/30/39/296393039.db2.gz OPFHOPKDHKHLON-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423228360 296394635 /nfs/dbraw/zinc/39/46/35/296394635.db2.gz ZGPODXPLBZQUMT-JCHJZTRSSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423228360 296394638 /nfs/dbraw/zinc/39/46/38/296394638.db2.gz ZGPODXPLBZQUMT-JCHJZTRSSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423228360 296394639 /nfs/dbraw/zinc/39/46/39/296394639.db2.gz ZGPODXPLBZQUMT-JCHJZTRSSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000423235125 296395313 /nfs/dbraw/zinc/39/53/13/296395313.db2.gz GJLJCEYOUOJUAQ-UXPWSPDFSA-N 2 1 309.457 2.939 20 0 DFADMP CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263467 296398163 /nfs/dbraw/zinc/39/81/63/296398163.db2.gz OKSFIMDZFIVOLT-RDJZCZTQSA-N 2 1 307.482 2.651 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263467 296398165 /nfs/dbraw/zinc/39/81/65/296398165.db2.gz OKSFIMDZFIVOLT-RDJZCZTQSA-N 3 1 307.482 2.651 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@H]2CCCC[C@H]2C[NH3+])nnn1-c1ccccc1 ZINC000423263607 296398184 /nfs/dbraw/zinc/39/81/84/296398184.db2.gz BEACQNUOGNTXPW-QRTARXTBSA-N 2 1 313.449 2.744 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423262802 296398224 /nfs/dbraw/zinc/39/82/24/296398224.db2.gz NMBDSDMIFOOKJR-CXAGYDPISA-N 2 1 318.465 2.995 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423262808 296398272 /nfs/dbraw/zinc/39/82/72/296398272.db2.gz NMBDSDMIFOOKJR-SUMWQHHRSA-N 2 1 318.465 2.995 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000245886376 285194809 /nfs/dbraw/zinc/19/48/09/285194809.db2.gz CXUBIUBGQFROIJ-KZNAEPCWSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423259512 296397700 /nfs/dbraw/zinc/39/77/00/296397700.db2.gz FCKGVNPNBLNCPY-QAPCUYQASA-N 2 1 317.477 2.925 20 0 DFADMP COc1ccc([C@@H](OC)[C@H](C)[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000297574876 533138043 /nfs/dbraw/zinc/13/80/43/533138043.db2.gz HZWUXTQOZRJITK-LIRRHRJNSA-N 2 1 318.461 2.988 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261365 296397877 /nfs/dbraw/zinc/39/78/77/296397877.db2.gz RZBPXHOWXHEVAQ-GGPKGHCWSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261365 296397878 /nfs/dbraw/zinc/39/78/78/296397878.db2.gz RZBPXHOWXHEVAQ-GGPKGHCWSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000156671298 197132023 /nfs/dbraw/zinc/13/20/23/197132023.db2.gz LEGVVWGNKPGIKF-ZOBUZTSGSA-N 2 1 315.461 2.947 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000156671298 197132024 /nfs/dbraw/zinc/13/20/24/197132024.db2.gz LEGVVWGNKPGIKF-ZOBUZTSGSA-N 2 1 315.461 2.947 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](COC)c1cccc(C(F)(F)F)c1 ZINC000423280567 296400332 /nfs/dbraw/zinc/40/03/32/296400332.db2.gz URAOCLRTNZWOMY-RISCZKNCSA-N 2 1 304.356 2.838 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1OC ZINC000347848087 285205310 /nfs/dbraw/zinc/20/53/10/285205310.db2.gz HFLDHIQGDGVHBY-MRXNPFEDSA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)c(C)c1OC ZINC000347848087 285205313 /nfs/dbraw/zinc/20/53/13/285205313.db2.gz HFLDHIQGDGVHBY-MRXNPFEDSA-N 2 1 318.461 2.930 20 0 DFADMP C[NH+](C)Cc1cnc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)s1 ZINC000347850956 285207404 /nfs/dbraw/zinc/20/74/04/285207404.db2.gz KYHVWYWKBKRBHZ-HNNXBMFYSA-N 2 1 322.522 2.513 20 0 DFADMP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CC3C[NH2+]C3)s2)cc1 ZINC000423305522 296402590 /nfs/dbraw/zinc/40/25/90/296402590.db2.gz QXUIQYKOIHSXDV-LLVKDONJSA-N 2 1 317.458 2.997 20 0 DFADMP COc1cccc(OCC[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000155052340 197018196 /nfs/dbraw/zinc/01/81/96/197018196.db2.gz MEAOMGGHIAWBLU-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000155052340 197018197 /nfs/dbraw/zinc/01/81/97/197018197.db2.gz MEAOMGGHIAWBLU-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)CCOc2cccc(OC)c2)CC1 ZINC000154923289 197005724 /nfs/dbraw/zinc/00/57/24/197005724.db2.gz QAXWZTFAKJGNIX-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCOc2cccc(OC)c2)CC1 ZINC000154923289 197005726 /nfs/dbraw/zinc/00/57/26/197005726.db2.gz QAXWZTFAKJGNIX-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccc(OC)cc2)CC1 ZINC000154528964 196971890 /nfs/dbraw/zinc/97/18/90/196971890.db2.gz FXMPKJGDFKWODW-QGZVFWFLSA-N 2 1 319.493 2.764 20 0 DFADMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)ccn1 ZINC000347923712 285248172 /nfs/dbraw/zinc/24/81/72/285248172.db2.gz DEXTWGOTMFCCAG-ZBFHGGJFSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)ccn1 ZINC000347923712 285248174 /nfs/dbraw/zinc/24/81/74/285248174.db2.gz DEXTWGOTMFCCAG-ZBFHGGJFSA-N 2 1 303.450 2.833 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@H]1CCC[C@@H](C)C1 ZINC000357221100 285248307 /nfs/dbraw/zinc/24/83/07/285248307.db2.gz QMJFTFXXQSTSFO-FGTMMUONSA-N 2 1 323.525 2.687 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1ccc(C)s1 ZINC000299722471 285249553 /nfs/dbraw/zinc/24/95/53/285249553.db2.gz NPRIXZURIKUAAN-OAHLLOKOSA-N 2 1 323.506 2.545 20 0 DFADMP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CCC2 ZINC000423441414 296417036 /nfs/dbraw/zinc/41/70/36/296417036.db2.gz UKMLXUGVKQACAV-BARDWOONSA-N 2 1 307.235 2.634 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@@H]1CSCCc2ccccc21 ZINC000423468002 296418741 /nfs/dbraw/zinc/41/87/41/296418741.db2.gz DZMWZSZIPXGVLD-DZGCQCFKSA-N 2 1 312.429 2.851 20 0 DFADMP C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000347940096 285258682 /nfs/dbraw/zinc/25/86/82/285258682.db2.gz XENLFRSMQURWND-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(F)cn1 ZINC000423491269 296421503 /nfs/dbraw/zinc/42/15/03/296421503.db2.gz ZVLOVGRVCPAJAN-SMDDNHRTSA-N 2 1 301.356 2.752 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1cc(Br)cs1 ZINC000423492766 296421952 /nfs/dbraw/zinc/42/19/52/296421952.db2.gz OOIXBUDHQYINAG-KOLCDFICSA-N 2 1 319.268 2.540 20 0 DFADMP CC(C)COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]CCCO2)cc1 ZINC000423513405 296424682 /nfs/dbraw/zinc/42/46/82/296424682.db2.gz LIICZYQQXPVCKS-YJBOKZPZSA-N 2 1 306.450 2.751 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc2c(c1)OCCO2 ZINC000120419085 195163119 /nfs/dbraw/zinc/16/31/19/195163119.db2.gz KMTUJKNTJIFCAB-OAHLLOKOSA-N 2 1 304.434 2.984 20 0 DFADMP CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCC[NH2+]CCC1CCCCCC1 ZINC000348006004 285294198 /nfs/dbraw/zinc/29/41/98/285294198.db2.gz OBVSEJOWKXIZHZ-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP CN(C)C(=O)[C@@H]1CCC[N@H+]1CCC[NH2+]CCC1CCCCCC1 ZINC000348006004 285294203 /nfs/dbraw/zinc/29/42/03/285294203.db2.gz OBVSEJOWKXIZHZ-SFHVURJKSA-N 2 1 323.525 2.879 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CCC2CCCCCC2)C1 ZINC000348019020 285301283 /nfs/dbraw/zinc/30/12/83/285301283.db2.gz OXNMZMHMBICEON-QGZVFWFLSA-N 2 1 309.498 2.524 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000289525808 221039801 /nfs/dbraw/zinc/03/98/01/221039801.db2.gz VTICDLZEGQZNMH-QGZVFWFLSA-N 2 1 321.484 2.716 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](CSc2ccccc2)C1)C1CC1 ZINC000289540948 221052807 /nfs/dbraw/zinc/05/28/07/221052807.db2.gz CLMKSIOHMHPYAS-WBVHZDCISA-N 2 1 320.502 2.556 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](CSc2ccccc2)C1)C1CC1 ZINC000289540948 221052810 /nfs/dbraw/zinc/05/28/10/221052810.db2.gz CLMKSIOHMHPYAS-WBVHZDCISA-N 2 1 320.502 2.556 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1)C1CC1 ZINC000289540948 221052812 /nfs/dbraw/zinc/05/28/12/221052812.db2.gz CLMKSIOHMHPYAS-WBVHZDCISA-N 2 1 320.502 2.556 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1)C1CC1 ZINC000289540948 221052814 /nfs/dbraw/zinc/05/28/14/221052814.db2.gz CLMKSIOHMHPYAS-WBVHZDCISA-N 2 1 320.502 2.556 20 0 DFADMP CO[C@H](C)C[N@@H+](C)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000289617785 221106761 /nfs/dbraw/zinc/10/67/61/221106761.db2.gz LKROMPVUUOUFSP-MRXNPFEDSA-N 2 1 319.493 2.684 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000289650006 221129528 /nfs/dbraw/zinc/12/95/28/221129528.db2.gz GEDHBVFKXTWFHJ-UFYCRDLUSA-N 2 1 324.472 2.843 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000629513302 399630404 /nfs/dbraw/zinc/63/04/04/399630404.db2.gz FUCBVYHEFXGRMF-MGPQQGTHSA-N 2 1 318.387 2.887 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289734317 221188832 /nfs/dbraw/zinc/18/88/32/221188832.db2.gz HTSOCIXVOYRNPU-GUYCJALGSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289734317 221188835 /nfs/dbraw/zinc/18/88/35/221188835.db2.gz HTSOCIXVOYRNPU-GUYCJALGSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289734317 221188836 /nfs/dbraw/zinc/18/88/36/221188836.db2.gz HTSOCIXVOYRNPU-GUYCJALGSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289734317 221188839 /nfs/dbraw/zinc/18/88/39/221188839.db2.gz HTSOCIXVOYRNPU-GUYCJALGSA-N 2 1 310.869 2.658 20 0 DFADMP CC1(C)[C@@H](c2ccccc2)[C@@H]1[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000629515925 399631842 /nfs/dbraw/zinc/63/18/42/399631842.db2.gz YMGACXKAAIZQTK-JKEDJMADSA-N 2 1 314.473 2.925 20 0 DFADMP CCO[C@H](C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000629519173 399633442 /nfs/dbraw/zinc/63/34/42/399633442.db2.gz QLDCJFBCPRAPOF-RTBURBONSA-N 2 1 317.477 2.841 20 0 DFADMP CCO[C@H](C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000629519173 399633447 /nfs/dbraw/zinc/63/34/47/399633447.db2.gz QLDCJFBCPRAPOF-RTBURBONSA-N 2 1 317.477 2.841 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000289864230 221277792 /nfs/dbraw/zinc/27/77/92/221277792.db2.gz GRACLFODBRHARE-ROUUACIJSA-N 2 1 317.477 2.531 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000629528316 399636368 /nfs/dbraw/zinc/63/63/68/399636368.db2.gz WFWYWSZDAJYFRV-DSLXNQLJSA-N 2 1 301.478 2.770 20 0 DFADMP C[C@@H]1CC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C[NH2+]1 ZINC000629543368 399641686 /nfs/dbraw/zinc/64/16/86/399641686.db2.gz ZPIJLMAAJAMMDS-MTEHYEEQSA-N 2 1 313.489 2.912 20 0 DFADMP C[NH+](C)[C@H](CC(=O)N[C@@H]1CC[N@H+](C(C)(C)C)C1)c1ccccc1 ZINC000617345072 399671102 /nfs/dbraw/zinc/67/11/02/399671102.db2.gz WSLIHRLBGWISEM-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000629548264 399644341 /nfs/dbraw/zinc/64/43/41/399644341.db2.gz YIDYTWFUHICHBT-FLNBYBTLSA-N 2 1 313.489 2.770 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000617347384 399672669 /nfs/dbraw/zinc/67/26/69/399672669.db2.gz LMCLSNPEPIMQJG-HOTGVXAUSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000617347384 399672670 /nfs/dbraw/zinc/67/26/70/399672670.db2.gz LMCLSNPEPIMQJG-HOTGVXAUSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000617347384 399672671 /nfs/dbraw/zinc/67/26/71/399672671.db2.gz LMCLSNPEPIMQJG-HOTGVXAUSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1cccc2ccccc21 ZINC000629551544 399645253 /nfs/dbraw/zinc/64/52/53/399645253.db2.gz VAESMPXSGGOLOC-WMLDXEAASA-N 2 1 321.428 2.817 20 0 DFADMP CCCC[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000629552429 399645612 /nfs/dbraw/zinc/64/56/12/399645612.db2.gz JSHTYHPJMLCPOW-ZWKOTPCHSA-N 2 1 313.449 2.834 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](CCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629559212 399649264 /nfs/dbraw/zinc/64/92/64/399649264.db2.gz AJPRFPORUORLGU-HUUCEWRRSA-N 2 1 316.367 2.662 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOCc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629559212 399649270 /nfs/dbraw/zinc/64/92/70/399649270.db2.gz AJPRFPORUORLGU-HUUCEWRRSA-N 2 1 316.367 2.662 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629663519 399680835 /nfs/dbraw/zinc/68/08/35/399680835.db2.gz GODGEZYIOFMREX-KDURUIRLSA-N 2 1 310.445 2.817 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)c1 ZINC000629663519 399680839 /nfs/dbraw/zinc/68/08/39/399680839.db2.gz GODGEZYIOFMREX-KDURUIRLSA-N 2 1 310.445 2.817 20 0 DFADMP COc1cc(-c2ccccc2)ccc1C[N@@H+](C)CCOCC[NH3+] ZINC000629664031 399682252 /nfs/dbraw/zinc/68/22/52/399682252.db2.gz JGHRIYXPHQERRL-UHFFFAOYSA-N 2 1 314.429 2.769 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1ccc(OC(F)F)c(Cl)c1 ZINC000629653046 399676399 /nfs/dbraw/zinc/67/63/99/399676399.db2.gz LGFPRCHDVKJPNC-UHFFFAOYSA-N 2 1 322.783 2.609 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000629653168 399676461 /nfs/dbraw/zinc/67/64/61/399676461.db2.gz HIDOWCISLWQIEZ-UHFFFAOYSA-N 2 1 308.319 2.512 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)Cc1cc(C(F)(F)F)ccc1F ZINC000629653168 399676462 /nfs/dbraw/zinc/67/64/62/399676462.db2.gz HIDOWCISLWQIEZ-UHFFFAOYSA-N 2 1 308.319 2.512 20 0 DFADMP c1cc(-c2ccc3c(c2)C[NH2+]CC3)ccc1C[NH+]1CCOCC1 ZINC000629733260 399706174 /nfs/dbraw/zinc/70/61/74/399706174.db2.gz LSVODAQVXWJUKV-UHFFFAOYSA-N 2 1 308.425 2.832 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294976210 224353228 /nfs/dbraw/zinc/35/32/28/224353228.db2.gz KHRHECGUYJOJFQ-LPHOPBHVSA-N 2 1 324.472 2.828 20 0 DFADMP CC[N@H+]1CC[C@@H](CN[C@H]2C[NH+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169663 542534466 /nfs/dbraw/zinc/53/44/66/542534466.db2.gz YKFKUZWDBGPYMZ-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@@H](CN[C@H]2C[N@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169663 542534472 /nfs/dbraw/zinc/53/44/72/542534472.db2.gz YKFKUZWDBGPYMZ-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169663 542534473 /nfs/dbraw/zinc/53/44/73/542534473.db2.gz YKFKUZWDBGPYMZ-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169663 542534477 /nfs/dbraw/zinc/53/44/77/542534477.db2.gz YKFKUZWDBGPYMZ-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CN(Cc3ccccc3)C(C)(C)C2)C1 ZINC000090169663 542534480 /nfs/dbraw/zinc/53/44/80/542534480.db2.gz YKFKUZWDBGPYMZ-RBUKOAKNSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CCN1C ZINC000093643822 542553688 /nfs/dbraw/zinc/55/36/88/542553688.db2.gz RMTPEBFDIUYJTP-FUHWJXTLSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000093643822 542553690 /nfs/dbraw/zinc/55/36/90/542553690.db2.gz RMTPEBFDIUYJTP-FUHWJXTLSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000093643822 542553695 /nfs/dbraw/zinc/55/36/95/542553695.db2.gz RMTPEBFDIUYJTP-FUHWJXTLSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[NH+]1C ZINC000093643822 542553699 /nfs/dbraw/zinc/55/36/99/542553699.db2.gz RMTPEBFDIUYJTP-FUHWJXTLSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)CC[NH+]1C ZINC000093643822 542553702 /nfs/dbraw/zinc/55/37/02/542553702.db2.gz RMTPEBFDIUYJTP-FUHWJXTLSA-N 3 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@@H+]1C ZINC000093643822 542553703 /nfs/dbraw/zinc/55/37/03/542553703.db2.gz RMTPEBFDIUYJTP-FUHWJXTLSA-N 2 1 319.493 2.542 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2ccc(OCC[NH+](C)C)cc2)CC[N@H+]1C ZINC000093643822 542553708 /nfs/dbraw/zinc/55/37/08/542553708.db2.gz RMTPEBFDIUYJTP-FUHWJXTLSA-N 2 1 319.493 2.542 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@@H+](C)C[C@H]2CCCCO2)cc1 ZINC000092427467 542547516 /nfs/dbraw/zinc/54/75/16/542547516.db2.gz GCSZXIRVUJKQEA-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP COCCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000092537472 542548554 /nfs/dbraw/zinc/54/85/54/542548554.db2.gz QOQDPPYUITWIKW-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000617505569 399720771 /nfs/dbraw/zinc/72/07/71/399720771.db2.gz IKTHDHZHPURHLI-SZMVWBNQSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1C[C@H]1C1CCCCC1 ZINC000617505569 399720774 /nfs/dbraw/zinc/72/07/74/399720774.db2.gz IKTHDHZHPURHLI-SZMVWBNQSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000617503612 399720810 /nfs/dbraw/zinc/72/08/10/399720810.db2.gz QPUAAOULUJNXBM-ULQDDVLXSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1[C@H]2CCCCCC[C@H]12 ZINC000617503612 399720812 /nfs/dbraw/zinc/72/08/12/399720812.db2.gz QPUAAOULUJNXBM-ULQDDVLXSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[N@@H+]1CCC[C@@H](C)C1 ZINC000348098238 285346797 /nfs/dbraw/zinc/34/67/97/285346797.db2.gz ABKGEQLMSADRHO-MQYQWHSLSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@H](C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1)[N@H+]1CCC[C@@H](C)C1 ZINC000348098238 285346801 /nfs/dbraw/zinc/34/68/01/285346801.db2.gz ABKGEQLMSADRHO-MQYQWHSLSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2c[nH]nc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348099293 285347687 /nfs/dbraw/zinc/34/76/87/285347687.db2.gz WQIIVEKMDFJVJP-ZYSHUDEJSA-N 2 1 324.472 2.767 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348104126 285351552 /nfs/dbraw/zinc/35/15/52/285351552.db2.gz CSEMIUUNFXWFMU-STQMWFEESA-N 2 1 305.344 2.671 20 0 DFADMP CCCOc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC ZINC000121020348 195282004 /nfs/dbraw/zinc/28/20/04/195282004.db2.gz FKGUYYQKJAFBAD-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC ZINC000121020348 195282006 /nfs/dbraw/zinc/28/20/06/195282006.db2.gz FKGUYYQKJAFBAD-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)ccc1OC ZINC000121020348 195282007 /nfs/dbraw/zinc/28/20/07/195282007.db2.gz FKGUYYQKJAFBAD-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)ccc1OC ZINC000121020348 195282009 /nfs/dbraw/zinc/28/20/09/195282009.db2.gz FKGUYYQKJAFBAD-MRXNPFEDSA-N 2 1 306.450 2.868 20 0 DFADMP COCC[N@H+](CCOc1ccc(F)cc1)CC[C@H]1CCC[NH+]1C ZINC000121150028 195299610 /nfs/dbraw/zinc/29/96/10/195299610.db2.gz VFQDADKROBVESP-QGZVFWFLSA-N 2 1 324.440 2.637 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)CC[C@H]1CCC[NH+]1C ZINC000121150028 195299611 /nfs/dbraw/zinc/29/96/11/195299611.db2.gz VFQDADKROBVESP-QGZVFWFLSA-N 2 1 324.440 2.637 20 0 DFADMP COCC[NH+](CCOc1ccc(F)cc1)CC[C@H]1CCC[N@@H+]1C ZINC000121150028 195299613 /nfs/dbraw/zinc/29/96/13/195299613.db2.gz VFQDADKROBVESP-QGZVFWFLSA-N 2 1 324.440 2.637 20 0 DFADMP COCC[NH+](CCOc1ccc(F)cc1)CC[C@H]1CCC[N@H+]1C ZINC000121150028 195299615 /nfs/dbraw/zinc/29/96/15/195299615.db2.gz VFQDADKROBVESP-QGZVFWFLSA-N 2 1 324.440 2.637 20 0 DFADMP CC[N@H+]1CCC[C@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000121835862 195358277 /nfs/dbraw/zinc/35/82/77/195358277.db2.gz SRUGRGCNJUOOAD-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP COC[C@H](CC(C)C)[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358035328 285371393 /nfs/dbraw/zinc/37/13/93/285371393.db2.gz IHNZRJBXYYACKJ-BBWFWOEESA-N 2 1 300.487 2.527 20 0 DFADMP CC[C@H]([NH2+]C1CCN(c2cccc(C)[nH+]2)CC1)[C@@H]1CCOC1 ZINC000128207345 195945689 /nfs/dbraw/zinc/94/56/89/195945689.db2.gz AYGUEUXAJPKUMF-WBVHZDCISA-N 2 1 303.450 2.764 20 0 DFADMP CC[N@@H+](CCOC[C@@H]1CCCO1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062539 399741285 /nfs/dbraw/zinc/74/12/85/399741285.db2.gz WFMXIPVTTOOBMC-IBGZPJMESA-N 2 1 320.477 2.766 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)COC(C)(C)C ZINC000626062370 399741426 /nfs/dbraw/zinc/74/14/26/399741426.db2.gz PZJWUNYWESNEIG-GOSISDBHSA-N 2 1 322.493 2.746 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000348161879 285390479 /nfs/dbraw/zinc/39/04/79/285390479.db2.gz APGKBIWEIGGFPF-GOSISDBHSA-N 2 1 318.461 2.692 20 0 DFADMP CCCCNC(=O)[C@@H](C)[N@@H+](CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062361 399741118 /nfs/dbraw/zinc/74/11/18/399741118.db2.gz PSKBQOBAXNBCCD-MRXNPFEDSA-N 2 1 319.493 2.875 20 0 DFADMP CC[N@@H+](CCO[C@@H]1CC1(F)F)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063730 399742744 /nfs/dbraw/zinc/74/27/44/399742744.db2.gz NWCCSNRISKJUNM-MRXNPFEDSA-N 2 1 312.404 2.994 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)CC[N@H+]1C ZINC000632807479 399747600 /nfs/dbraw/zinc/74/76/00/399747600.db2.gz RZPUTZQWTDEPIR-MAUKXSAKSA-N 2 1 324.428 2.916 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000125612060 542602014 /nfs/dbraw/zinc/60/20/14/542602014.db2.gz POMFRIJVPASRTE-SFHVURJKSA-N 2 1 318.461 2.772 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000125612060 542602016 /nfs/dbraw/zinc/60/20/16/542602016.db2.gz POMFRIJVPASRTE-SFHVURJKSA-N 2 1 318.461 2.772 20 0 DFADMP CC[C@H](C)CCNC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000617641054 399765829 /nfs/dbraw/zinc/76/58/29/399765829.db2.gz JIXBUUWZGFDAMV-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H]1C[NH+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000126952849 542609876 /nfs/dbraw/zinc/60/98/76/542609876.db2.gz BBTRICOPWWPDGD-IRXDYDNUSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000126952642 542609987 /nfs/dbraw/zinc/60/99/87/542609987.db2.gz BBTRICOPWWPDGD-CALCHBBNSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000126952642 542609991 /nfs/dbraw/zinc/60/99/91/542609991.db2.gz BBTRICOPWWPDGD-CALCHBBNSA-N 2 1 318.461 2.770 20 0 DFADMP CCN(CCCNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1 ZINC000629943858 399762069 /nfs/dbraw/zinc/76/20/69/399762069.db2.gz CATFZEKKCXQFKR-UHFFFAOYSA-N 2 1 303.450 2.504 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cccc(Cn3cccn3)c2)CC1 ZINC000129367475 542623656 /nfs/dbraw/zinc/62/36/56/542623656.db2.gz GVZKPOSFYVBHBH-UHFFFAOYSA-N 2 1 312.461 2.895 20 0 DFADMP C[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CCC1 ZINC000629957096 399769200 /nfs/dbraw/zinc/76/92/00/399769200.db2.gz QMDWEJNQWCSPFE-UHFFFAOYSA-N 2 1 315.461 2.748 20 0 DFADMP C[NH+](C)Cc1cnc(CN(CCC[NH3+])c2ccccc2F)s1 ZINC000348252637 285451104 /nfs/dbraw/zinc/45/11/04/285451104.db2.gz CXGFQXOEZOGEKZ-UHFFFAOYSA-N 2 1 322.453 2.699 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@H]3CCCO3)CC2)cc1 ZINC000131948328 542639421 /nfs/dbraw/zinc/63/94/21/542639421.db2.gz LIZYMMHGNQBJIU-LJQANCHMSA-N 2 1 320.452 2.991 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+]CC[C@@H]3CCCO3)CC2)cc1 ZINC000131948150 542640071 /nfs/dbraw/zinc/64/00/71/542640071.db2.gz LIZYMMHGNQBJIU-IBGZPJMESA-N 2 1 320.452 2.991 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(Cl)c2F)CC1 ZINC000133962693 542648166 /nfs/dbraw/zinc/64/81/66/542648166.db2.gz JUIPMKOTBUTZLT-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2CCc3ccc(F)cc32)CC1 ZINC000154502626 542689561 /nfs/dbraw/zinc/68/95/61/542689561.db2.gz BZPJVVSNJXXFLJ-IBGZPJMESA-N 2 1 319.468 2.820 20 0 DFADMP C[NH+](C)[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000165946555 542749460 /nfs/dbraw/zinc/74/94/60/542749460.db2.gz CSHPIBCXRORVCX-RCCFBDPRSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000165946555 542749464 /nfs/dbraw/zinc/74/94/64/542749464.db2.gz CSHPIBCXRORVCX-RCCFBDPRSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1cccc(F)c1 ZINC000165946555 542749468 /nfs/dbraw/zinc/74/94/68/542749468.db2.gz CSHPIBCXRORVCX-RCCFBDPRSA-N 2 1 305.441 2.645 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232708 542750228 /nfs/dbraw/zinc/75/02/28/542750228.db2.gz ZNXRIXXTNGPFSW-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232708 542750231 /nfs/dbraw/zinc/75/02/31/542750231.db2.gz ZNXRIXXTNGPFSW-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(F)cc1 ZINC000166232708 542750236 /nfs/dbraw/zinc/75/02/36/542750236.db2.gz ZNXRIXXTNGPFSW-KZNAEPCWSA-N 2 1 305.441 2.645 20 0 DFADMP c1ccc2c(c1)CC[NH+](CCCN[C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000166067252 542750354 /nfs/dbraw/zinc/75/03/54/542750354.db2.gz TUWZMEWIARHIFS-VQTJNVASSA-N 3 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCCN[C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000166067252 542750359 /nfs/dbraw/zinc/75/03/59/542750359.db2.gz TUWZMEWIARHIFS-VQTJNVASSA-N 3 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCCN[C@H]1CC[NH+]3CCC[C@@H]3C1)C2 ZINC000166067252 542750364 /nfs/dbraw/zinc/75/03/64/542750364.db2.gz TUWZMEWIARHIFS-VQTJNVASSA-N 3 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)C2 ZINC000166067252 542750369 /nfs/dbraw/zinc/75/03/69/542750369.db2.gz TUWZMEWIARHIFS-VQTJNVASSA-N 2 1 313.489 2.651 20 0 DFADMP c1ccc2c(c1)CCN(CCC[NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)C2 ZINC000166067252 542750372 /nfs/dbraw/zinc/75/03/72/542750372.db2.gz TUWZMEWIARHIFS-VQTJNVASSA-N 2 1 313.489 2.651 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc(C[NH3+])cc2)C1 ZINC000168642025 542754089 /nfs/dbraw/zinc/75/40/89/542754089.db2.gz XLUIWAIIMIGRHL-OAHLLOKOSA-N 2 1 317.477 2.776 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C)nc2CC)CC1 ZINC000179685230 542781265 /nfs/dbraw/zinc/78/12/65/542781265.db2.gz QHFNAYMOYWFVHW-UHFFFAOYSA-N 2 1 306.498 2.926 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2nc(-c3ccccn3)cs2)CC[N@H+]1C ZINC000181009757 542787193 /nfs/dbraw/zinc/78/71/93/542787193.db2.gz NGMXWDDMOXEJFW-ZIAGYGMSSA-N 2 1 316.474 2.820 20 0 DFADMP c1nc2ccccn2c1C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000192924617 542854989 /nfs/dbraw/zinc/85/49/89/542854989.db2.gz SAYJZYSZGDMNGK-SFHVURJKSA-N 2 1 320.440 2.946 20 0 DFADMP C[N@@H+]1CCC[C@H]1CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000221148293 542880432 /nfs/dbraw/zinc/88/04/32/542880432.db2.gz YLECOSBATQIGQL-ZDUSSCGKSA-N 2 1 310.825 2.685 20 0 DFADMP C[N@H+]1CCC[C@H]1CNCc1cc(Cl)c2c(c1)OCCCO2 ZINC000221148293 542880435 /nfs/dbraw/zinc/88/04/35/542880435.db2.gz YLECOSBATQIGQL-ZDUSSCGKSA-N 2 1 310.825 2.685 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H]1O2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274937625 542974886 /nfs/dbraw/zinc/97/48/86/542974886.db2.gz SFHCTXWUQAZYNR-QTUASDBPSA-N 2 1 300.446 2.807 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000275805649 542975899 /nfs/dbraw/zinc/97/58/99/542975899.db2.gz UHFOFOPVIREHFW-ROUUACIJSA-N 2 1 317.477 2.918 20 0 DFADMP CC(C)[C@H]([NH2+]CCc1c[nH+]cn1C)c1ccc2c(c1)OCCO2 ZINC000298323908 543042228 /nfs/dbraw/zinc/04/22/28/543042228.db2.gz ILDIDAVLLSVJQX-SFHVURJKSA-N 2 1 315.417 2.721 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@@H](C)[NH+](Cc2ccccc2)C1 ZINC000309817093 543065634 /nfs/dbraw/zinc/06/56/34/543065634.db2.gz OJUAHVRSYWMKCF-LMMKCTJWSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309817093 543065636 /nfs/dbraw/zinc/06/56/36/543065636.db2.gz OJUAHVRSYWMKCF-LMMKCTJWSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309817093 543065639 /nfs/dbraw/zinc/06/56/39/543065639.db2.gz OJUAHVRSYWMKCF-LMMKCTJWSA-N 2 1 303.494 2.968 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@H](CC)C2)cc1 ZINC000317616425 543076443 /nfs/dbraw/zinc/07/64/43/543076443.db2.gz TUAIUNMGXSBWOM-CRAIPNDOSA-N 2 1 306.450 2.913 20 0 DFADMP COc1cc(C)c(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000319625986 543079619 /nfs/dbraw/zinc/07/96/19/543079619.db2.gz MQHJWLKMKBGPRT-YJBOKZPZSA-N 2 1 304.434 2.573 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000321369354 543085350 /nfs/dbraw/zinc/08/53/50/543085350.db2.gz BEJADOWWRIJCEY-UHFFFAOYSA-N 2 1 314.433 2.867 20 0 DFADMP CCc1ccc(CC[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604390347 399843357 /nfs/dbraw/zinc/84/33/57/399843357.db2.gz WBWMOXBXDYRXQL-FQEVSTJZSA-N 2 1 315.505 2.503 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000604389185 399843891 /nfs/dbraw/zinc/84/38/91/399843891.db2.gz UXPIGKGTRIUWJP-IBGZPJMESA-N 2 1 315.505 2.824 20 0 DFADMP CC1CC[NH+](CCCCNC(=O)CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000339262623 543142604 /nfs/dbraw/zinc/14/26/04/543142604.db2.gz FIHGBZVKJORVDR-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1cc(C(F)(F)F)ccc1C[NH2+]C1CC[NH+](CCO)CC1 ZINC000682372961 545833099 /nfs/dbraw/zinc/83/30/99/545833099.db2.gz CJMRDKGCFRZHQT-UHFFFAOYSA-N 2 1 316.367 2.560 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@H](CNc2cc(C)ccn2)C1)C1CC1 ZINC000625156102 399855561 /nfs/dbraw/zinc/85/55/61/399855561.db2.gz UXGICYBQPHFWMW-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@@H](C[N@@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000625156102 399855565 /nfs/dbraw/zinc/85/55/65/399855565.db2.gz UXGICYBQPHFWMW-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000625156102 399855567 /nfs/dbraw/zinc/85/55/67/399855567.db2.gz UXGICYBQPHFWMW-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)CC[NH+]1CCCC[C@@H]1C ZINC000339274401 543143791 /nfs/dbraw/zinc/14/37/91/543143791.db2.gz IZVHXRYJGBYUJN-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C ZINC000339274401 543143793 /nfs/dbraw/zinc/14/37/93/543143793.db2.gz IZVHXRYJGBYUJN-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000339274401 543143795 /nfs/dbraw/zinc/14/37/95/543143795.db2.gz IZVHXRYJGBYUJN-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066080 543139112 /nfs/dbraw/zinc/13/91/12/543139112.db2.gz ATKHWVGTAWTYKW-MHORFTMASA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339066080 543139114 /nfs/dbraw/zinc/13/91/14/543139114.db2.gz ATKHWVGTAWTYKW-MHORFTMASA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339066080 543139117 /nfs/dbraw/zinc/13/91/17/543139117.db2.gz ATKHWVGTAWTYKW-MHORFTMASA-N 2 1 307.526 2.959 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000339071976 543139323 /nfs/dbraw/zinc/13/93/23/543139323.db2.gz WFNISPQJNPHNNJ-ZVZYQTTQSA-N 2 1 311.433 2.545 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339070258 543139797 /nfs/dbraw/zinc/13/97/97/543139797.db2.gz ZWVREICJEOJFQJ-IRXDYDNUSA-N 2 1 312.461 2.951 20 0 DFADMP c1ccc(C2(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CCOCC2)cc1 ZINC000339074992 543140550 /nfs/dbraw/zinc/14/05/50/543140550.db2.gz OLPATJPZOGZTAC-OALUTQOASA-N 2 1 314.473 2.951 20 0 DFADMP CCO[C@@H](C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000625180439 399858033 /nfs/dbraw/zinc/85/80/33/399858033.db2.gz LUUQDCLECMQOAN-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP CCO[C@@H](C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CC1 ZINC000625180439 399858035 /nfs/dbraw/zinc/85/80/35/399858035.db2.gz LUUQDCLECMQOAN-WBVHZDCISA-N 2 1 303.450 2.939 20 0 DFADMP CCc1cc(NC[C@@H]([NH2+][C@@H](C)CC)c2ccco2)nc(C)[nH+]1 ZINC000343265347 543166383 /nfs/dbraw/zinc/16/63/83/543166383.db2.gz BUXYFRLDFNGAHQ-SWLSCSKDSA-N 2 1 302.422 2.904 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@H]2CC[C@H]2C2CC2)c1 ZINC000348088617 543182842 /nfs/dbraw/zinc/18/28/42/543182842.db2.gz RHONCYSYAUNURA-OALUTQOASA-N 2 1 300.446 2.797 20 0 DFADMP CC[NH+](CC)C[C@H](C)N[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C ZINC000361154839 543280173 /nfs/dbraw/zinc/28/01/73/543280173.db2.gz QWDVAUAIQPOBPC-AOIWGVFYSA-N 2 1 318.509 2.612 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379642526 543297477 /nfs/dbraw/zinc/29/74/77/543297477.db2.gz AEZYGEDYIVZTCO-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379642526 543297479 /nfs/dbraw/zinc/29/74/79/543297479.db2.gz AEZYGEDYIVZTCO-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379642526 543297480 /nfs/dbraw/zinc/29/74/80/543297480.db2.gz AEZYGEDYIVZTCO-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379642526 543297482 /nfs/dbraw/zinc/29/74/82/543297482.db2.gz AEZYGEDYIVZTCO-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411283833 543316923 /nfs/dbraw/zinc/31/69/23/543316923.db2.gz WTOGZQUNQYNMEQ-XUVXKRRUSA-N 2 1 313.489 2.644 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411283833 543316927 /nfs/dbraw/zinc/31/69/27/543316927.db2.gz WTOGZQUNQYNMEQ-XUVXKRRUSA-N 2 1 313.489 2.644 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[C@H]1c1ccccc1 ZINC000414300046 543325025 /nfs/dbraw/zinc/32/50/25/543325025.db2.gz LHYRUKAGYQPZSX-YVSFHVDLSA-N 2 1 324.415 2.960 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[C@H]1c1ccccc1 ZINC000414300046 543325027 /nfs/dbraw/zinc/32/50/27/543325027.db2.gz LHYRUKAGYQPZSX-YVSFHVDLSA-N 2 1 324.415 2.960 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000171921845 145283900 /nfs/dbraw/zinc/28/39/00/145283900.db2.gz ORGKQFNKGRPEOX-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1)Nc1ccccc1 ZINC000173876576 145359498 /nfs/dbraw/zinc/35/94/98/145359498.db2.gz RXJONIFCAVAJAP-KRWDZBQOSA-N 2 1 315.461 2.823 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)F)C2)C[C@@H]1c1ccccc1 ZINC000417378308 543335387 /nfs/dbraw/zinc/33/53/87/543335387.db2.gz FBULWQUGHVWGBJ-YESZJQIVSA-N 2 1 323.431 2.751 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H]2CCN(CC(F)F)C2)C[C@@H]1c1ccccc1 ZINC000417378308 543335389 /nfs/dbraw/zinc/33/53/89/543335389.db2.gz FBULWQUGHVWGBJ-YESZJQIVSA-N 2 1 323.431 2.751 20 0 DFADMP CCc1ccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174875843 145393889 /nfs/dbraw/zinc/39/38/89/145393889.db2.gz HJVRNQNDXNNQNZ-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1ccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174875843 145393890 /nfs/dbraw/zinc/39/38/90/145393890.db2.gz HJVRNQNDXNNQNZ-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CC[C@H]1CN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC[C@H]1[NH3+] ZINC000630513023 399897236 /nfs/dbraw/zinc/89/72/36/399897236.db2.gz OGXQYGOKGPWZNG-WMLDXEAASA-N 2 1 323.444 2.560 20 0 DFADMP CC1CC[NH+](CCC[NH2+]Cc2ccnn2CC2CCC2)CC1 ZINC000631035427 399966161 /nfs/dbraw/zinc/96/61/61/399966161.db2.gz IWKLPMHZRCSTOC-UHFFFAOYSA-N 2 1 304.482 2.895 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)c1 ZINC000631045383 399968254 /nfs/dbraw/zinc/96/82/54/399968254.db2.gz DMTOKWAOLNXYSU-HNNXBMFYSA-N 2 1 303.450 2.857 20 0 DFADMP C[C@H](C[NH2+]Cc1c2c(nn1C)CCCC2)C[NH+]1CCCCC1 ZINC000631047354 399968622 /nfs/dbraw/zinc/96/86/22/399968622.db2.gz SISJBQIPPLPVBV-OAHLLOKOSA-N 2 1 304.482 2.511 20 0 DFADMP C[C@H](C[NH2+]Cc1ccnn1CC1CCC1)C[NH+]1CCCCC1 ZINC000631047256 399968808 /nfs/dbraw/zinc/96/88/08/399968808.db2.gz RDOCPEIYFJNTPU-MRXNPFEDSA-N 2 1 304.482 2.895 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631061201 399971888 /nfs/dbraw/zinc/97/18/88/399971888.db2.gz LTXLFJBPNUSYCV-MRXNPFEDSA-N 2 1 319.493 2.984 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2ccccc2OC)CC1 ZINC000631061201 399971889 /nfs/dbraw/zinc/97/18/89/399971889.db2.gz LTXLFJBPNUSYCV-MRXNPFEDSA-N 2 1 319.493 2.984 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000631064759 399972409 /nfs/dbraw/zinc/97/24/09/399972409.db2.gz SPSRKSSQCXRODK-LBPRGKRZSA-N 2 1 321.396 2.774 20 0 DFADMP Cc1ccc([C@@H](C)C[NH+]2CCC([N@H+](C)C[C@H](C)O)CC2)cc1 ZINC000628165771 399994649 /nfs/dbraw/zinc/99/46/49/399994649.db2.gz LSENEHQLMFOKTO-IRXDYDNUSA-N 2 1 304.478 2.876 20 0 DFADMP Cc1ccc([C@@H](C)C[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000628184021 399997659 /nfs/dbraw/zinc/99/76/59/399997659.db2.gz XFCCYSABRHLENT-ZWKOTPCHSA-N 2 1 302.462 2.753 20 0 DFADMP Cc1nn(C)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000631196197 400001363 /nfs/dbraw/zinc/00/13/63/400001363.db2.gz OOBNATLSUINYJT-YJBOKZPZSA-N 2 1 312.461 2.586 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2(CO)C3CC4CC(C3)CC2C4)CC1(C)C ZINC000628311487 400018678 /nfs/dbraw/zinc/01/86/78/400018678.db2.gz NXCMKXDIRYGGLH-MGMWPHTOSA-N 2 1 306.494 2.636 20 0 DFADMP C[C@]1(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)CCCS1 ZINC000628337990 400022295 /nfs/dbraw/zinc/02/22/95/400022295.db2.gz XABIZXJDNGBUBL-QZTJIDSGSA-N 2 1 320.502 2.629 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CCn1cc[nH+]c1C ZINC000631575465 400053437 /nfs/dbraw/zinc/05/34/37/400053437.db2.gz FVROAXBORFYNCU-HNNXBMFYSA-N 2 1 301.390 2.704 20 0 DFADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000631621796 400058878 /nfs/dbraw/zinc/05/88/78/400058878.db2.gz LDTACJZPJURTPT-DNVCBOLYSA-N 2 1 318.461 2.773 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000631655715 400062811 /nfs/dbraw/zinc/06/28/11/400062811.db2.gz WNPDFAMKCRACET-BHADISHBSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000631655715 400062812 /nfs/dbraw/zinc/06/28/12/400062812.db2.gz WNPDFAMKCRACET-BHADISHBSA-N 2 1 310.388 2.867 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000631673405 400065069 /nfs/dbraw/zinc/06/50/69/400065069.db2.gz RSCNSVMIJHYRPS-YHDCXSKOSA-N 2 1 314.473 2.790 20 0 DFADMP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+]2C2CCCC2)CCCCC1 ZINC000628965477 400066753 /nfs/dbraw/zinc/06/67/53/400066753.db2.gz YJOGSFDYCSVOLF-QGZVFWFLSA-N 2 1 321.509 2.632 20 0 DFADMP C(c1nc(C2CCC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000631829418 400078100 /nfs/dbraw/zinc/07/81/00/400078100.db2.gz PZWAJAUIKIVKLL-OAHLLOKOSA-N 2 1 304.438 2.549 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2C[C@H]2CCC(F)(F)C2)C1 ZINC000631829778 400078232 /nfs/dbraw/zinc/07/82/32/400078232.db2.gz ZJUQXFJFJVPOBY-YJNKXOJESA-N 2 1 302.409 2.783 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2C[C@@H]2CCC(F)(F)C2)C1 ZINC000631829775 400078324 /nfs/dbraw/zinc/07/83/24/400078324.db2.gz ZJUQXFJFJVPOBY-KBXIAJHMSA-N 2 1 302.409 2.783 20 0 DFADMP [NH3+][C@H]1CCCCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000631832211 400078456 /nfs/dbraw/zinc/07/84/56/400078456.db2.gz BLUPQBXZMDYDIK-ZDUSSCGKSA-N 2 1 320.462 2.934 20 0 DFADMP [NH3+][C@H]1CCCCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000631832211 400078457 /nfs/dbraw/zinc/07/84/57/400078457.db2.gz BLUPQBXZMDYDIK-ZDUSSCGKSA-N 2 1 320.462 2.934 20 0 DFADMP CCn1nc(C)c(C[N@@H+](C)Cc2cccc3c2CC[NH2+]C3)c1C ZINC000631834788 400078615 /nfs/dbraw/zinc/07/86/15/400078615.db2.gz FRQPKGTVHBLJJG-UHFFFAOYSA-N 2 1 312.461 2.798 20 0 DFADMP [NH3+]CCOCC[N@@H+]1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000631836164 400078730 /nfs/dbraw/zinc/07/87/30/400078730.db2.gz OVOWEDBFPVHIFQ-CQSZACIVSA-N 2 1 320.330 2.957 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@@H]1c1ccc(F)c(C(F)(F)F)c1 ZINC000631836164 400078731 /nfs/dbraw/zinc/07/87/31/400078731.db2.gz OVOWEDBFPVHIFQ-CQSZACIVSA-N 2 1 320.330 2.957 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@H]1C[NH3+] ZINC000631841193 400078909 /nfs/dbraw/zinc/07/89/09/400078909.db2.gz ZLVAUZXYOYIHHS-WCQYABFASA-N 2 1 302.340 2.654 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@H]1C[NH3+] ZINC000631840904 400079084 /nfs/dbraw/zinc/07/90/84/400079084.db2.gz VZOBJEVXDROQAK-YJBOKZPZSA-N 2 1 311.429 2.687 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297334672 533674844 /nfs/dbraw/zinc/67/48/44/533674844.db2.gz DAQPUPAVXSIGAE-CQSZACIVSA-N 2 1 304.434 2.679 20 0 DFADMP CC1(C[NH2+]Cc2ccccc2C[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000434753121 543348988 /nfs/dbraw/zinc/34/89/88/543348988.db2.gz DRAHLQHRCKLAFO-GOSISDBHSA-N 2 1 302.462 2.923 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000236699992 146025030 /nfs/dbraw/zinc/02/50/30/146025030.db2.gz QGBYLHUSZCRYPE-YCPHGPKFSA-N 2 1 323.506 2.621 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N1CC[C@@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000236780434 146027121 /nfs/dbraw/zinc/02/71/21/146027121.db2.gz BMHZTFKKIYAVGL-AEFFLSMTSA-N 2 1 317.477 2.627 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@H](C)[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439477928 543353513 /nfs/dbraw/zinc/35/35/13/543353513.db2.gz WDQKAROZHNYIHI-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@H](C)[N@@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439477928 543353516 /nfs/dbraw/zinc/35/35/16/543353516.db2.gz WDQKAROZHNYIHI-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@H](C)[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439477928 543353520 /nfs/dbraw/zinc/35/35/20/543353520.db2.gz WDQKAROZHNYIHI-KSZLIROESA-N 2 1 312.498 2.767 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(NC(=O)C[C@H]([NH3+])c2ccccc2)cn1 ZINC000237648237 146048714 /nfs/dbraw/zinc/04/87/14/146048714.db2.gz GVHWBKHXCGKIEC-INIZCTEOSA-N 2 1 321.384 2.604 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@]2(C)CCCC[NH2+]2)C1 ZINC000237683215 146050350 /nfs/dbraw/zinc/05/03/50/146050350.db2.gz GKPGXPCSVBVQEB-ZIFCJYIRSA-N 2 1 321.509 2.632 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@@H+]1CCCCn1cc[nH+]c1C ZINC000245565560 146084348 /nfs/dbraw/zinc/08/43/48/146084348.db2.gz DRCZBPWKFOCWME-ULQDDVLXSA-N 2 1 319.449 2.778 20 0 DFADMP COC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[N@H+]1CCCCn1cc[nH+]c1C ZINC000245565560 146084351 /nfs/dbraw/zinc/08/43/51/146084351.db2.gz DRCZBPWKFOCWME-ULQDDVLXSA-N 2 1 319.449 2.778 20 0 DFADMP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)OCCO1 ZINC000245639594 146090360 /nfs/dbraw/zinc/09/03/60/146090360.db2.gz ALUDZGIUVBJIAP-BCDXTJNWSA-N 2 1 316.445 2.535 20 0 DFADMP OC[C@H]1C=C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000245721907 146096882 /nfs/dbraw/zinc/09/68/82/146096882.db2.gz OXLFWRLEGYHBGL-LJDSDSDDSA-N 2 1 312.457 2.709 20 0 DFADMP C[C@H](CCCO)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000245745679 146099279 /nfs/dbraw/zinc/09/92/79/146099279.db2.gz SLVJVFQQFYZMGG-OWYHZJEWSA-N 2 1 302.462 2.933 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000246303226 146136438 /nfs/dbraw/zinc/13/64/38/146136438.db2.gz CIRVVTOTJOGRRU-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000246303226 146136441 /nfs/dbraw/zinc/13/64/41/146136441.db2.gz CIRVVTOTJOGRRU-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N[C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000246512890 146140790 /nfs/dbraw/zinc/14/07/90/146140790.db2.gz QPJXHIGEFNLIFO-OGHNNQOOSA-N 2 1 314.433 2.731 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CC[C@H]2CCOC2=O)C1 ZINC000247086019 146159825 /nfs/dbraw/zinc/15/98/25/146159825.db2.gz XXTAFRHODJOUDF-IKGGRYGDSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCOC2=O)C1 ZINC000247086019 146159818 /nfs/dbraw/zinc/15/98/18/146159818.db2.gz XXTAFRHODJOUDF-IKGGRYGDSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CC[C@H]2CCOC2=O)C1 ZINC000247086019 146159820 /nfs/dbraw/zinc/15/98/20/146159820.db2.gz XXTAFRHODJOUDF-IKGGRYGDSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CC[C@H]2CCOC2=O)C1 ZINC000247086019 146159828 /nfs/dbraw/zinc/15/98/28/146159828.db2.gz XXTAFRHODJOUDF-IKGGRYGDSA-N 2 1 308.466 2.526 20 0 DFADMP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000247085122 146160981 /nfs/dbraw/zinc/16/09/81/146160981.db2.gz RDXPZZADBCRWDS-ZACQAIPSSA-N 2 1 317.477 2.594 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](C[NH2+]C[C@H]3CCC=CO3)C2)cc1 ZINC000249050811 146184560 /nfs/dbraw/zinc/18/45/60/146184560.db2.gz XJXYSKAVSGEFJY-RTBURBONSA-N 2 1 300.446 2.833 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@H](O)C(F)F ZINC000453272094 543371712 /nfs/dbraw/zinc/37/17/12/543371712.db2.gz RXTTXWHQEKTZFW-UGUYLWEFSA-N 2 1 312.404 2.816 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@H](O)C(F)F ZINC000453272094 543371715 /nfs/dbraw/zinc/37/17/15/543371715.db2.gz RXTTXWHQEKTZFW-UGUYLWEFSA-N 2 1 312.404 2.816 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000453397066 543372016 /nfs/dbraw/zinc/37/20/16/543372016.db2.gz JFZIEMKBHBRYKV-IEBWSBKVSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)cn1 ZINC000453397066 543372019 /nfs/dbraw/zinc/37/20/19/543372019.db2.gz JFZIEMKBHBRYKV-IEBWSBKVSA-N 2 1 310.445 2.753 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cn1 ZINC000249711344 146204896 /nfs/dbraw/zinc/20/48/96/146204896.db2.gz YMILKYJABLULIO-MRXNPFEDSA-N 2 1 304.482 2.892 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cn1 ZINC000249711344 146204900 /nfs/dbraw/zinc/20/49/00/146204900.db2.gz YMILKYJABLULIO-MRXNPFEDSA-N 2 1 304.482 2.892 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H](C)[NH+](C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222100 /nfs/dbraw/zinc/22/21/00/146222100.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222102 /nfs/dbraw/zinc/22/21/02/146222102.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222104 /nfs/dbraw/zinc/22/21/04/146222104.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222105 /nfs/dbraw/zinc/22/21/05/146222105.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C)N(C)Cc2ccccc2)[C@H](C)C1 ZINC000252695975 146222107 /nfs/dbraw/zinc/22/21/07/146222107.db2.gz AZXZTMMQXRTYOE-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544198 146237664 /nfs/dbraw/zinc/23/76/64/146237664.db2.gz IOTVUSFFSAVSLR-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544198 146237666 /nfs/dbraw/zinc/23/76/66/146237666.db2.gz IOTVUSFFSAVSLR-IEBWSBKVSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544198 146237668 /nfs/dbraw/zinc/23/76/68/146237668.db2.gz IOTVUSFFSAVSLR-IEBWSBKVSA-N 3 1 315.505 2.971 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261546037 146239635 /nfs/dbraw/zinc/23/96/35/146239635.db2.gz KPSBTPMYNTZFPN-MTQWCTHYSA-N 2 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)cc1 ZINC000261546037 146239638 /nfs/dbraw/zinc/23/96/38/146239638.db2.gz KPSBTPMYNTZFPN-MTQWCTHYSA-N 2 1 313.489 2.771 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551698 146239829 /nfs/dbraw/zinc/23/98/29/146239829.db2.gz QVIQYTPVPWICBW-QYZOEREBSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261551698 146239830 /nfs/dbraw/zinc/23/98/30/146239830.db2.gz QVIQYTPVPWICBW-QYZOEREBSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551698 146239832 /nfs/dbraw/zinc/23/98/32/146239832.db2.gz QVIQYTPVPWICBW-QYZOEREBSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3sccc3Br)C[C@@H]12 ZINC000261564850 146241117 /nfs/dbraw/zinc/24/11/17/146241117.db2.gz CUIFASVWOMAYHS-IQJOONFLSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3sccc3Br)C[C@@H]12 ZINC000261564850 146241120 /nfs/dbraw/zinc/24/11/20/146241120.db2.gz CUIFASVWOMAYHS-IQJOONFLSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000261559731 146241550 /nfs/dbraw/zinc/24/15/50/146241550.db2.gz ZGXZLSPBKDJYIQ-SWBPCFCJSA-N 3 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000261559731 146241552 /nfs/dbraw/zinc/24/15/52/146241552.db2.gz ZGXZLSPBKDJYIQ-SWBPCFCJSA-N 2 1 313.489 2.757 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000261559731 146241555 /nfs/dbraw/zinc/24/15/55/146241555.db2.gz ZGXZLSPBKDJYIQ-SWBPCFCJSA-N 2 1 313.489 2.757 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000261622760 146248261 /nfs/dbraw/zinc/24/82/61/146248261.db2.gz DNMNWKPIMHIIJV-CQSZACIVSA-N 2 1 302.340 2.798 20 0 DFADMP FC(F)(F)c1c[nH]c([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)n1 ZINC000261638419 146250491 /nfs/dbraw/zinc/25/04/91/146250491.db2.gz AAJXCUDCGFLBAH-NWDGAFQWSA-N 2 1 316.371 2.608 20 0 DFADMP CCn1ccnc1C[N@@H+](C[C@@H]1C[C@H]1C)[C@H]1CC12CC[NH2+]CC2 ZINC000261644292 146252183 /nfs/dbraw/zinc/25/21/83/146252183.db2.gz AMEADSGZZBMYPO-PMPSAXMXSA-N 2 1 302.466 2.503 20 0 DFADMP CCn1ccnc1C[N@@H+](C[C@@H]1C[C@@H]1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000261644289 146252315 /nfs/dbraw/zinc/25/23/15/146252315.db2.gz AMEADSGZZBMYPO-HRCADAONSA-N 2 1 302.466 2.503 20 0 DFADMP C[C@@H](c1ccc(F)c(Cl)c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261641490 146252467 /nfs/dbraw/zinc/25/24/67/146252467.db2.gz IQFQZJLRZGBPPL-JSGCOSHPSA-N 2 1 311.832 2.520 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccnn3-c3ccc(F)cc3)C[C@H]21 ZINC000261644304 146252610 /nfs/dbraw/zinc/25/26/10/146252610.db2.gz AMPCTJWVFBRSSZ-MORSLUCNSA-N 2 1 314.408 2.571 20 0 DFADMP c1csc(C[N@H+](C[C@@H]2CCSC2)[C@@H]2CC23CC[NH2+]CC3)n1 ZINC000261762738 146272019 /nfs/dbraw/zinc/27/20/19/146272019.db2.gz DDRZKTHZZWYJLQ-UONOGXRCSA-N 2 1 323.531 2.840 20 0 DFADMP Cc1ncsc1C[N@@H+](C[C@@H]1CC[NH2+]C1)C[C@@H]1CCSC1 ZINC000261773885 146274408 /nfs/dbraw/zinc/27/44/08/146274408.db2.gz DWMPHOOYHGCILN-KGLIPLIRSA-N 2 1 311.520 2.616 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000261773366 146274471 /nfs/dbraw/zinc/27/44/71/146274471.db2.gz SHMTUUSLJUYUDJ-LJQANCHMSA-N 2 1 311.429 2.831 20 0 DFADMP C[C@@H]([NH3+])CC(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000261776556 146275284 /nfs/dbraw/zinc/27/52/84/146275284.db2.gz JEIGYNJTGPLMKU-CJNGLKHVSA-N 2 1 323.868 2.548 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1OC(F)F ZINC000261844151 146287949 /nfs/dbraw/zinc/28/79/49/146287949.db2.gz CWNRHNDGLXHAMQ-DGCLKSJQSA-N 2 1 314.376 2.856 20 0 DFADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1Cl ZINC000261877220 146292814 /nfs/dbraw/zinc/29/28/14/146292814.db2.gz DUMZDLGEMAQYHB-WQVCFCJDSA-N 2 1 312.816 2.726 20 0 DFADMP Cc1ccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000261881432 146295237 /nfs/dbraw/zinc/29/52/37/146295237.db2.gz FJTBWICXYHQMGA-OWYHZJEWSA-N 2 1 318.461 2.509 20 0 DFADMP c1cc(-c2noc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)cs1 ZINC000261923551 146302283 /nfs/dbraw/zinc/30/22/83/146302283.db2.gz IFXZZKFAGIHCQD-AWEZNQCLSA-N 2 1 318.446 2.762 20 0 DFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000261929635 146303850 /nfs/dbraw/zinc/30/38/50/146303850.db2.gz LKJRHZVGGIBABO-IRXDYDNUSA-N 3 1 312.461 2.809 20 0 DFADMP c1cn(-c2ccccc2)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)n1 ZINC000261943851 146307393 /nfs/dbraw/zinc/30/73/93/146307393.db2.gz NAILXDLCCMDIFE-GOSISDBHSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@@H]2C[C@H](O)c2ccc(F)cc2)CC[NH2+]C1 ZINC000261977868 146313801 /nfs/dbraw/zinc/31/38/01/146313801.db2.gz IXLUWVNNPMVQIA-SQNIBIBYSA-N 2 1 306.425 2.713 20 0 DFADMP COc1cc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)cc(Cl)c1OC ZINC000261981853 146314849 /nfs/dbraw/zinc/31/48/49/146314849.db2.gz JHKMKZRMKWKWHA-UHFFFAOYSA-N 2 1 324.852 2.933 20 0 DFADMP Cc1sc2[nH]c(C[N@@H+]3CCC[C@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000261979214 146315968 /nfs/dbraw/zinc/31/59/68/146315968.db2.gz RDLLUBCUHJMGFE-GFCCVEGCSA-N 2 1 320.462 2.575 20 0 DFADMP Cc1sc2[nH]c(C[N@H+]3CCC[C@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000261979214 146315971 /nfs/dbraw/zinc/31/59/71/146315971.db2.gz RDLLUBCUHJMGFE-GFCCVEGCSA-N 2 1 320.462 2.575 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1 ZINC000261988317 146316701 /nfs/dbraw/zinc/31/67/01/146316701.db2.gz SQTKXOOHVHWIRM-XYPWUTKMSA-N 2 1 304.434 2.679 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H](n3ccc(C(F)(F)F)n3)C2)CC[NH2+]C1 ZINC000261998158 146318698 /nfs/dbraw/zinc/31/86/98/146318698.db2.gz LAFSHWFRKYFNML-JSGCOSHPSA-N 2 1 316.371 2.538 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261995458 146319813 /nfs/dbraw/zinc/31/98/13/146319813.db2.gz STTQSENJTWXQEN-YOEHRIQHSA-N 2 1 316.424 2.630 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261995458 146319819 /nfs/dbraw/zinc/31/98/19/146319819.db2.gz STTQSENJTWXQEN-YOEHRIQHSA-N 2 1 316.424 2.630 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262029865 146324862 /nfs/dbraw/zinc/32/48/62/146324862.db2.gz BJORTWMFGHTXNC-LSDHHAIUSA-N 2 1 315.461 2.713 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1(CC)CC ZINC000262043528 146326361 /nfs/dbraw/zinc/32/63/61/146326361.db2.gz YUZNOSDUJUWKIZ-HSFUPAIVSA-N 2 1 324.509 2.717 20 0 DFADMP COc1ccc2nc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)sc2c1 ZINC000262047070 146327541 /nfs/dbraw/zinc/32/75/41/146327541.db2.gz PTUQNZAZYBKODK-UHFFFAOYSA-N 2 1 317.458 2.880 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262070094 146330071 /nfs/dbraw/zinc/33/00/71/146330071.db2.gz RZXKQBXLNFJLLQ-LJQANCHMSA-N 2 1 310.445 2.675 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262070094 146330074 /nfs/dbraw/zinc/33/00/74/146330074.db2.gz RZXKQBXLNFJLLQ-LJQANCHMSA-N 2 1 310.445 2.675 20 0 DFADMP c1cc2c(c(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)c1)OCO2 ZINC000262307180 146350207 /nfs/dbraw/zinc/35/02/07/146350207.db2.gz PIYBFMWOYGAXGT-HRCADAONSA-N 2 1 302.418 2.816 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@@H]21 ZINC000262344634 146352260 /nfs/dbraw/zinc/35/22/60/146352260.db2.gz UPQNJXWBOZWNJV-UHOFOFEASA-N 2 1 321.852 2.728 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H](Cc1ccccn1)c1ccccc1 ZINC000459409053 543393059 /nfs/dbraw/zinc/39/30/59/543393059.db2.gz NUTXJFDDEACTHF-LJQANCHMSA-N 2 1 306.413 2.931 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1 ZINC000459522014 543394207 /nfs/dbraw/zinc/39/42/07/543394207.db2.gz HJRBZGQOYSHDTG-DLBZAZTESA-N 2 1 318.852 2.651 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2scnc2C2CC2)CC1 ZINC000494937364 543416615 /nfs/dbraw/zinc/41/66/15/543416615.db2.gz LRKOLQQOYKYEDV-ZDUSSCGKSA-N 2 1 323.506 2.545 20 0 DFADMP CCCC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)C1CC1 ZINC000354807031 147158471 /nfs/dbraw/zinc/15/84/71/147158471.db2.gz NQWMJERYEXCNHD-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2C[C@@H]1C[C@H]1c1ccccc1 ZINC000355218365 147226976 /nfs/dbraw/zinc/22/69/76/147226976.db2.gz HSXNRLPNUUETLU-YHDCXSKOSA-N 2 1 314.473 2.974 20 0 DFADMP COc1cc2c(cc1CN(C)CC[C@H]1CCCC[N@H+]1C)OCO2 ZINC000355386071 147294140 /nfs/dbraw/zinc/29/41/40/147294140.db2.gz PYYKMDOLEMPXEH-OAHLLOKOSA-N 2 1 320.433 2.730 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@H]1c1ccccc1 ZINC000559773585 543444957 /nfs/dbraw/zinc/44/49/57/543444957.db2.gz AEKWUUZBEFQTST-OWYHZJEWSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)C[C@H]1c1ccccc1 ZINC000559773585 543444960 /nfs/dbraw/zinc/44/49/60/543444960.db2.gz AEKWUUZBEFQTST-OWYHZJEWSA-N 2 1 302.462 2.963 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cncc(-n2ccnc2C)n1 ZINC000357586783 148048378 /nfs/dbraw/zinc/04/83/78/148048378.db2.gz YUHCKDXNIVIARS-CYBMUJFWSA-N 2 1 302.426 2.503 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000357586783 148048381 /nfs/dbraw/zinc/04/83/81/148048381.db2.gz YUHCKDXNIVIARS-CYBMUJFWSA-N 2 1 302.426 2.503 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)Nc1cncc(-n2cc[nH+]c2C)n1 ZINC000357586783 148048384 /nfs/dbraw/zinc/04/83/84/148048384.db2.gz YUHCKDXNIVIARS-CYBMUJFWSA-N 2 1 302.426 2.503 20 0 DFADMP Cc1ccccc1OCCC[NH+]1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000357635157 148065209 /nfs/dbraw/zinc/06/52/09/148065209.db2.gz IQAOTUQLIYSQJG-KRWDZBQOSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccccc1OCCC[NH+]1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000357635157 148065212 /nfs/dbraw/zinc/06/52/12/148065212.db2.gz IQAOTUQLIYSQJG-KRWDZBQOSA-N 2 1 320.477 2.541 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000358080289 148236792 /nfs/dbraw/zinc/23/67/92/148236792.db2.gz GEEGWILKEZDABX-SWLSCSKDSA-N 2 1 324.852 2.584 20 0 DFADMP Cc1[nH+]ccc(NCC[N@@H+]2CCc3sccc3C2)c1Cl ZINC000350312601 286027004 /nfs/dbraw/zinc/02/70/04/286027004.db2.gz RSPKFRPUEOVJRB-UHFFFAOYSA-N 2 1 307.850 2.997 20 0 DFADMP Cc1[nH+]ccc(NCC[N@H+]2CCc3sccc3C2)c1Cl ZINC000350312601 286027005 /nfs/dbraw/zinc/02/70/05/286027005.db2.gz RSPKFRPUEOVJRB-UHFFFAOYSA-N 2 1 307.850 2.997 20 0 DFADMP CO[C@](C)(C[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000638006217 543496893 /nfs/dbraw/zinc/49/68/93/543496893.db2.gz GDNPIUFQWDGCKQ-MAUKXSAKSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1)C1CC1 ZINC000638006217 543496895 /nfs/dbraw/zinc/49/68/95/543496895.db2.gz GDNPIUFQWDGCKQ-MAUKXSAKSA-N 2 1 303.450 2.939 20 0 DFADMP c1c(C[NH2+]Cc2cnc3ccccc3c2)onc1C1CC[NH2+]CC1 ZINC000425904242 296603825 /nfs/dbraw/zinc/60/38/25/296603825.db2.gz XOMDEWGSLLPTNM-UHFFFAOYSA-N 2 1 322.412 2.980 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358168952 148268649 /nfs/dbraw/zinc/26/86/49/148268649.db2.gz OLPBYULNXZBRGM-CHWSQXEVSA-N 2 1 322.403 2.904 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000358236645 148297273 /nfs/dbraw/zinc/29/72/73/148297273.db2.gz ASMHFKQMAMCJHW-HJZRJOMTSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC(O)CC1 ZINC000358236645 148297275 /nfs/dbraw/zinc/29/72/75/148297275.db2.gz ASMHFKQMAMCJHW-HJZRJOMTSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](NC[C@]1(O)CC[N@@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000358265303 148310926 /nfs/dbraw/zinc/31/09/26/148310926.db2.gz ZNNFWIAYOVJXLC-LKFCYVNXSA-N 2 1 321.223 2.850 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H](CO)CC(F)(F)F)CC2)C1 ZINC000358353286 148337938 /nfs/dbraw/zinc/33/79/38/148337938.db2.gz JZRFIPCHHBGZOL-YUELXQCFSA-N 2 1 322.415 2.932 20 0 DFADMP OC[C@@H](CC(F)(F)F)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000358364197 148342485 /nfs/dbraw/zinc/34/24/85/148342485.db2.gz HRAVNAFWBJXLMP-CYBMUJFWSA-N 2 1 308.388 2.686 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000358363217 148343106 /nfs/dbraw/zinc/34/31/06/148343106.db2.gz GKJCZWDYBHJGAK-MJGOQNOKSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)nc1 ZINC000358363217 148343107 /nfs/dbraw/zinc/34/31/07/148343107.db2.gz GKJCZWDYBHJGAK-MJGOQNOKSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000358363221 148343353 /nfs/dbraw/zinc/34/33/53/148343353.db2.gz GKJCZWDYBHJGAK-PKOBYXMFSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000358363221 148343361 /nfs/dbraw/zinc/34/33/61/148343361.db2.gz GKJCZWDYBHJGAK-PKOBYXMFSA-N 2 1 324.472 2.970 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)[C@H](C)C1 ZINC000358251481 286064621 /nfs/dbraw/zinc/06/46/21/286064621.db2.gz MONYVZFUBRDOCK-IKGGRYGDSA-N 2 1 312.498 2.671 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000358251499 286064789 /nfs/dbraw/zinc/06/47/89/286064789.db2.gz MONYVZFUBRDOCK-ULQDDVLXSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+]2CCC[C@H]2C1 ZINC000361030784 149012043 /nfs/dbraw/zinc/01/20/43/149012043.db2.gz LQORDIONKPNZNO-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361030784 149012046 /nfs/dbraw/zinc/01/20/46/149012046.db2.gz LQORDIONKPNZNO-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361030784 149012049 /nfs/dbraw/zinc/01/20/49/149012049.db2.gz LQORDIONKPNZNO-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361030784 149012051 /nfs/dbraw/zinc/01/20/51/149012051.db2.gz LQORDIONKPNZNO-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000361030784 149012055 /nfs/dbraw/zinc/01/20/55/149012055.db2.gz LQORDIONKPNZNO-GTAWCEEGSA-N 2 1 313.489 2.723 20 0 DFADMP CCc1nocc1C[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000350743253 286081174 /nfs/dbraw/zinc/08/11/74/286081174.db2.gz HCNIUOKFIMFAQI-GASCZTMLSA-N 2 1 321.465 2.558 20 0 DFADMP CN(CCC[N@@H+](C)C[C@H]1C[C@@H]1c1ccccc1)CC[NH+](C)C ZINC000361395521 149104671 /nfs/dbraw/zinc/10/46/71/149104671.db2.gz OTMFVEOYVHWXSD-RTBURBONSA-N 2 1 303.494 2.605 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC(O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000361435827 149115165 /nfs/dbraw/zinc/11/51/65/149115165.db2.gz OJIXMBYVGFKTAY-IZIZEDOESA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC2CC(O)C2)CC[N@H+]1Cc1ccccc1 ZINC000361435827 149115167 /nfs/dbraw/zinc/11/51/67/149115167.db2.gz OJIXMBYVGFKTAY-IZIZEDOESA-N 2 1 302.462 2.790 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cncs2)[C@@H](C)C1 ZINC000361484495 149127671 /nfs/dbraw/zinc/12/76/71/149127671.db2.gz JPHDBJHCBSAABN-KKUMJFAQSA-N 2 1 311.495 2.931 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cncs2)[C@@H](C)C1 ZINC000361484495 149127672 /nfs/dbraw/zinc/12/76/72/149127672.db2.gz JPHDBJHCBSAABN-KKUMJFAQSA-N 2 1 311.495 2.931 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C)[C@@H](C)C1 ZINC000361511005 149136167 /nfs/dbraw/zinc/13/61/67/149136167.db2.gz NTGPPBCEPNSRQY-ULQDDVLXSA-N 2 1 314.514 2.510 20 0 DFADMP OC[C@@H]([NH2+]CCn1ccnc1)c1c(Cl)cccc1Cl ZINC000361541707 149141558 /nfs/dbraw/zinc/14/15/58/149141558.db2.gz RZLWRLLSUSFXCP-GFCCVEGCSA-N 2 1 300.189 2.513 20 0 DFADMP CCCCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361668477 149187832 /nfs/dbraw/zinc/18/78/32/149187832.db2.gz ZSVXGZAMIIKEMP-CVEARBPZSA-N 2 1 320.481 2.776 20 0 DFADMP CCCCNC(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361668477 149187833 /nfs/dbraw/zinc/18/78/33/149187833.db2.gz ZSVXGZAMIIKEMP-CVEARBPZSA-N 2 1 320.481 2.776 20 0 DFADMP COC[C@H](CC(C)C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000361964630 149265989 /nfs/dbraw/zinc/26/59/89/149265989.db2.gz BFZKUVNQEPWNJW-KRWDZBQOSA-N 2 1 300.487 2.527 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393651 149296250 /nfs/dbraw/zinc/29/62/50/149296250.db2.gz UHYHHGAMUNIFEW-HNNXBMFYSA-N 2 1 321.440 2.736 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393651 149296252 /nfs/dbraw/zinc/29/62/52/149296252.db2.gz UHYHHGAMUNIFEW-HNNXBMFYSA-N 2 1 321.440 2.736 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2cccc(F)c2C)C1 ZINC000362393651 149296255 /nfs/dbraw/zinc/29/62/55/149296255.db2.gz UHYHHGAMUNIFEW-HNNXBMFYSA-N 2 1 321.440 2.736 20 0 DFADMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@@H](C)C2)cc1 ZINC000362637912 149330133 /nfs/dbraw/zinc/33/01/33/149330133.db2.gz GKSDCLQPRUWDED-KRWDZBQOSA-N 2 1 301.478 2.595 20 0 DFADMP O[C@]1(C[NH2+]C2CCC3(CC3)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000362913709 149396101 /nfs/dbraw/zinc/39/61/01/149396101.db2.gz OOSMWWRDCHQGOS-FQEVSTJZSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@]1(C[NH2+]C2CCC3(CC3)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000362913709 149396103 /nfs/dbraw/zinc/39/61/03/149396103.db2.gz OOSMWWRDCHQGOS-FQEVSTJZSA-N 2 1 314.473 2.936 20 0 DFADMP CCc1nocc1C[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000351112814 286110331 /nfs/dbraw/zinc/11/03/31/286110331.db2.gz WKVPZVMQHZMHSR-AWEZNQCLSA-N 2 1 300.406 2.874 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCOc3ccccc3C(F)(F)F)C[C@@H]12 ZINC000351475824 286129336 /nfs/dbraw/zinc/12/93/36/286129336.db2.gz JKIQXZDGTSQEQN-YRGRVCCFSA-N 2 1 314.351 2.753 20 0 DFADMP CC(C)C[N@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475843 286129482 /nfs/dbraw/zinc/12/94/82/286129482.db2.gz JPBBQKARNLYMCJ-IBGZPJMESA-N 2 1 304.478 2.642 20 0 DFADMP CC(C)C[N@@H+](CCc1ccccc1)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351475843 286129484 /nfs/dbraw/zinc/12/94/84/286129484.db2.gz JPBBQKARNLYMCJ-IBGZPJMESA-N 2 1 304.478 2.642 20 0 DFADMP CC(C)C[NH+](CCc1ccccc1)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351475843 286129487 /nfs/dbraw/zinc/12/94/87/286129487.db2.gz JPBBQKARNLYMCJ-IBGZPJMESA-N 2 1 304.478 2.642 20 0 DFADMP CC(C)C[NH+](CCc1ccccc1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351475843 286129490 /nfs/dbraw/zinc/12/94/90/286129490.db2.gz JPBBQKARNLYMCJ-IBGZPJMESA-N 2 1 304.478 2.642 20 0 DFADMP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000351438872 286126419 /nfs/dbraw/zinc/12/64/19/286126419.db2.gz FWASDPZBNJSORA-UXHICEINSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000351438872 286126421 /nfs/dbraw/zinc/12/64/21/286126421.db2.gz FWASDPZBNJSORA-UXHICEINSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000351438872 286126422 /nfs/dbraw/zinc/12/64/22/286126422.db2.gz FWASDPZBNJSORA-UXHICEINSA-N 2 1 316.489 2.711 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCc2ccccc2C1 ZINC000351438872 286126424 /nfs/dbraw/zinc/12/64/24/286126424.db2.gz FWASDPZBNJSORA-UXHICEINSA-N 2 1 316.489 2.711 20 0 DFADMP c1ccc2c(c1)SCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261946585 296626689 /nfs/dbraw/zinc/62/66/89/296626689.db2.gz NPYFIHZJMSPWBK-MXASKKJJSA-N 2 1 318.486 2.970 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]12 ZINC000351488190 286133153 /nfs/dbraw/zinc/13/31/53/286133153.db2.gz DZSMKCVXPUSOQI-RYQLBKOJSA-N 2 1 323.440 2.838 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](CCC(=O)Nc3cccc4ccccc43)C[C@H]12 ZINC000351488187 286133362 /nfs/dbraw/zinc/13/33/62/286133362.db2.gz DZSMKCVXPUSOQI-BPQIPLTHSA-N 2 1 323.440 2.838 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)c1C ZINC000351492451 286134769 /nfs/dbraw/zinc/13/47/69/286134769.db2.gz LHOZRLHJRQKITR-CGTJXYLNSA-N 2 1 300.446 2.984 20 0 DFADMP CN(C[C@@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493281 286134778 /nfs/dbraw/zinc/13/47/78/286134778.db2.gz VFPPJOVIDRKTLQ-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493281 286134779 /nfs/dbraw/zinc/13/47/79/286134779.db2.gz VFPPJOVIDRKTLQ-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493281 286134780 /nfs/dbraw/zinc/13/47/80/286134780.db2.gz VFPPJOVIDRKTLQ-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493281 286134781 /nfs/dbraw/zinc/13/47/81/286134781.db2.gz VFPPJOVIDRKTLQ-RBUKOAKNSA-N 2 1 302.462 2.539 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@@H]12 ZINC000351495931 286135769 /nfs/dbraw/zinc/13/57/69/286135769.db2.gz QDWILTGATYCTRV-DAXOMENPSA-N 2 1 301.365 2.650 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351525848 286143885 /nfs/dbraw/zinc/14/38/85/286143885.db2.gz VOEXNFACROJOSZ-OALUTQOASA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351525848 286143886 /nfs/dbraw/zinc/14/38/86/286143886.db2.gz VOEXNFACROJOSZ-OALUTQOASA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351525848 286143887 /nfs/dbraw/zinc/14/38/87/286143887.db2.gz VOEXNFACROJOSZ-OALUTQOASA-N 2 1 322.468 2.780 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351525848 286143888 /nfs/dbraw/zinc/14/38/88/286143888.db2.gz VOEXNFACROJOSZ-OALUTQOASA-N 2 1 322.468 2.780 20 0 DFADMP CC1CCC([N@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]2CCCO2)CC1 ZINC000351518419 286141551 /nfs/dbraw/zinc/14/15/51/286141551.db2.gz LYOZQXDRNLIYHR-AWRGBYNESA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([N@@H+](C[C@H](O)C[NH+](C)C2CC2)C[C@@H]2CCCO2)CC1 ZINC000351518419 286141553 /nfs/dbraw/zinc/14/15/53/286141553.db2.gz LYOZQXDRNLIYHR-AWRGBYNESA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([NH+](C[C@H](O)C[N@H+](C)C2CC2)C[C@@H]2CCCO2)CC1 ZINC000351518419 286141555 /nfs/dbraw/zinc/14/15/55/286141555.db2.gz LYOZQXDRNLIYHR-AWRGBYNESA-N 2 1 324.509 2.501 20 0 DFADMP CC1CCC([NH+](C[C@H](O)C[N@@H+](C)C2CC2)C[C@@H]2CCCO2)CC1 ZINC000351518419 286141556 /nfs/dbraw/zinc/14/15/56/286141556.db2.gz LYOZQXDRNLIYHR-AWRGBYNESA-N 2 1 324.509 2.501 20 0 DFADMP CCC[N@H+](CCc1cccc(F)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351521091 286141902 /nfs/dbraw/zinc/14/19/02/286141902.db2.gz TWLNLYDTHGNEGN-GOSISDBHSA-N 2 1 308.441 2.535 20 0 DFADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@H](O)C[NH+](C)C1CC1 ZINC000351521091 286141905 /nfs/dbraw/zinc/14/19/05/286141905.db2.gz TWLNLYDTHGNEGN-GOSISDBHSA-N 2 1 308.441 2.535 20 0 DFADMP CCC[NH+](CCc1cccc(F)c1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000351521091 286141908 /nfs/dbraw/zinc/14/19/08/286141908.db2.gz TWLNLYDTHGNEGN-GOSISDBHSA-N 2 1 308.441 2.535 20 0 DFADMP CCC[NH+](CCc1cccc(F)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351521091 286141910 /nfs/dbraw/zinc/14/19/10/286141910.db2.gz TWLNLYDTHGNEGN-GOSISDBHSA-N 2 1 308.441 2.535 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+](C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000351521453 286142455 /nfs/dbraw/zinc/14/24/55/286142455.db2.gz JHIGNCGOGPAFJP-AZUAARDMSA-N 2 1 314.473 2.984 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+](C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000351521453 286142458 /nfs/dbraw/zinc/14/24/58/286142458.db2.gz JHIGNCGOGPAFJP-AZUAARDMSA-N 2 1 314.473 2.984 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000351521453 286142460 /nfs/dbraw/zinc/14/24/60/286142460.db2.gz JHIGNCGOGPAFJP-AZUAARDMSA-N 2 1 314.473 2.984 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCCc2ccccc21)C1CC1 ZINC000351521453 286142462 /nfs/dbraw/zinc/14/24/62/286142462.db2.gz JHIGNCGOGPAFJP-AZUAARDMSA-N 2 1 314.473 2.984 20 0 DFADMP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@H+](C)C2CC2)C(C)C)cc1 ZINC000351539559 286147428 /nfs/dbraw/zinc/14/74/28/286147428.db2.gz UPZGAEJTPQOORO-MOPGFXCFSA-N 2 1 304.478 2.991 20 0 DFADMP CCc1ccc([C@@H]([NH2+]C[C@@H](O)C[N@@H+](C)C2CC2)C(C)C)cc1 ZINC000351539559 286147429 /nfs/dbraw/zinc/14/74/29/286147429.db2.gz UPZGAEJTPQOORO-MOPGFXCFSA-N 2 1 304.478 2.991 20 0 DFADMP CO[C@@H](C)[C@H](C)[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000370632397 149958724 /nfs/dbraw/zinc/95/87/24/149958724.db2.gz AIYMDIYWAIXUJW-JSGCOSHPSA-N 2 1 309.454 2.516 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2C[C@@H]3CCCCCC[C@H]32)CC1 ZINC000371208182 150004164 /nfs/dbraw/zinc/00/41/64/150004164.db2.gz HBIKFXLIKFTZQE-FUHWJXTLSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCC([N@H+](CCCOCC(F)(F)F)C2CC2)CC1 ZINC000371260353 150011450 /nfs/dbraw/zinc/01/14/50/150011450.db2.gz LNWXTJYXAQWKMT-UHFFFAOYSA-N 2 1 308.388 2.904 20 0 DFADMP CC[NH+]1CCC([N@@H+](CCCOCC(F)(F)F)C2CC2)CC1 ZINC000371260353 150011452 /nfs/dbraw/zinc/01/14/52/150011452.db2.gz LNWXTJYXAQWKMT-UHFFFAOYSA-N 2 1 308.388 2.904 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)c1 ZINC000371265816 150011765 /nfs/dbraw/zinc/01/17/65/150011765.db2.gz FSEFWGPGYFDZGA-IBGZPJMESA-N 2 1 315.505 2.763 20 0 DFADMP CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371291910 150016856 /nfs/dbraw/zinc/01/68/56/150016856.db2.gz AHCWIRTZBYFTNS-JENIJYKNSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000371291910 150016857 /nfs/dbraw/zinc/01/68/57/150016857.db2.gz AHCWIRTZBYFTNS-JENIJYKNSA-N 2 1 318.461 2.769 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2C/C=C/c1ccccc1 ZINC000371294485 150018062 /nfs/dbraw/zinc/01/80/62/150018062.db2.gz LCRYSKFXBYWWCL-CVSNNLQWSA-N 2 1 300.446 2.883 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2C/C=C/c1ccccc1 ZINC000371294485 150018065 /nfs/dbraw/zinc/01/80/65/150018065.db2.gz LCRYSKFXBYWWCL-CVSNNLQWSA-N 2 1 300.446 2.883 20 0 DFADMP CCCOC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329128 150023856 /nfs/dbraw/zinc/02/38/56/150023856.db2.gz DRAZETUECXLUPE-HUUCEWRRSA-N 2 1 308.466 2.524 20 0 DFADMP CCCOC(=O)[C@@H](C)[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329128 150023859 /nfs/dbraw/zinc/02/38/59/150023859.db2.gz DRAZETUECXLUPE-HUUCEWRRSA-N 2 1 308.466 2.524 20 0 DFADMP CCCOC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329127 150024372 /nfs/dbraw/zinc/02/43/72/150024372.db2.gz DRAZETUECXLUPE-GJZGRUSLSA-N 2 1 308.466 2.524 20 0 DFADMP CCCOC(=O)[C@H](C)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329127 150024373 /nfs/dbraw/zinc/02/43/73/150024373.db2.gz DRAZETUECXLUPE-GJZGRUSLSA-N 2 1 308.466 2.524 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000371336225 150027031 /nfs/dbraw/zinc/02/70/31/150027031.db2.gz ODYKXTCOMXVSQR-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c(C)c1 ZINC000371336226 150027383 /nfs/dbraw/zinc/02/73/83/150027383.db2.gz ODYKXTCOMXVSQR-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP COc1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc(OC)c1 ZINC000371403568 150040201 /nfs/dbraw/zinc/04/02/01/150040201.db2.gz UPWMQQMWAYTTLS-AYOQOUSVSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc(OC)c1 ZINC000371403568 150040203 /nfs/dbraw/zinc/04/02/03/150040203.db2.gz UPWMQQMWAYTTLS-AYOQOUSVSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc(OC)c1 ZINC000371403568 150040205 /nfs/dbraw/zinc/04/02/05/150040205.db2.gz UPWMQQMWAYTTLS-AYOQOUSVSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc(OC)c1 ZINC000371403568 150040208 /nfs/dbraw/zinc/04/02/08/150040208.db2.gz UPWMQQMWAYTTLS-AYOQOUSVSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc(OC)c1 ZINC000371403568 150040210 /nfs/dbraw/zinc/04/02/10/150040210.db2.gz UPWMQQMWAYTTLS-AYOQOUSVSA-N 2 1 316.445 2.620 20 0 DFADMP Cc1ncc(CN2CC[C@@H]3CC[N@H+](C)[C@H]3C2)n1-c1ccccc1 ZINC000371541303 150062493 /nfs/dbraw/zinc/06/24/93/150062493.db2.gz AEBYPQWFVCGVEL-LPHOPBHVSA-N 2 1 310.445 2.707 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCc4cnccn4)[C@@H]3C2)cc1 ZINC000371665298 150077400 /nfs/dbraw/zinc/07/74/00/150077400.db2.gz LSBZPLLZCAQDBI-SXLOBPIMSA-N 2 1 322.456 2.519 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000351575781 286158324 /nfs/dbraw/zinc/15/83/24/286158324.db2.gz USQSSULKFZNLKJ-FUHWJXTLSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C)C1CC1 ZINC000351575781 286158326 /nfs/dbraw/zinc/15/83/26/286158326.db2.gz USQSSULKFZNLKJ-FUHWJXTLSA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)N1CCc2nc(CN(C)[C@H]3CCSC3)sc2C1 ZINC000371801515 150097413 /nfs/dbraw/zinc/09/74/13/150097413.db2.gz GZILEGSIIIJLAV-LBPRGKRZSA-N 2 1 311.520 2.847 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000351580367 286159469 /nfs/dbraw/zinc/15/94/69/286159469.db2.gz LSAMKLAFUFHKDH-IAGOWNOFSA-N 2 1 308.853 2.836 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000351580367 286159470 /nfs/dbraw/zinc/15/94/70/286159470.db2.gz LSAMKLAFUFHKDH-IAGOWNOFSA-N 2 1 308.853 2.836 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000372303472 150160974 /nfs/dbraw/zinc/16/09/74/150160974.db2.gz XVEATERSRSGBRB-KBAYOESNSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000372303472 150160976 /nfs/dbraw/zinc/16/09/76/150160976.db2.gz XVEATERSRSGBRB-KBAYOESNSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000372303472 150160977 /nfs/dbraw/zinc/16/09/77/150160977.db2.gz XVEATERSRSGBRB-KBAYOESNSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000372303472 150160980 /nfs/dbraw/zinc/16/09/80/150160980.db2.gz XVEATERSRSGBRB-KBAYOESNSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000372303472 150160983 /nfs/dbraw/zinc/16/09/83/150160983.db2.gz XVEATERSRSGBRB-KBAYOESNSA-N 2 1 322.518 2.553 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000372313394 150163305 /nfs/dbraw/zinc/16/33/05/150163305.db2.gz LXUKESQBYUTCTE-YOEHRIQHSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1C[C@@H](O)C[C@H]1c1ccc(F)c(F)c1 ZINC000372313394 150163308 /nfs/dbraw/zinc/16/33/08/150163308.db2.gz LXUKESQBYUTCTE-YOEHRIQHSA-N 2 1 321.371 2.668 20 0 DFADMP CCN1CCC[C@@H](C[N@@H+](C)Cc2cc[nH]c2)[C@@H]1c1cnn(C)c1 ZINC000372512578 150177690 /nfs/dbraw/zinc/17/76/90/150177690.db2.gz AHODPGUOPCOICU-FUHWJXTLSA-N 2 1 315.465 2.653 20 0 DFADMP COc1c(C)cnc(C[N@@H+](C)C[C@@H]2CCc3nccn3C2)c1C ZINC000372527504 150179968 /nfs/dbraw/zinc/17/99/68/150179968.db2.gz RGHDQJNSIBSRGP-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP COc1c(C)cnc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1C ZINC000372527504 150179974 /nfs/dbraw/zinc/17/99/74/150179974.db2.gz RGHDQJNSIBSRGP-HNNXBMFYSA-N 2 1 314.433 2.598 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)C2)c1 ZINC000351604923 286167006 /nfs/dbraw/zinc/16/70/06/286167006.db2.gz GEXPZBNGFKYHLY-APWZRJJASA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)C2)c1 ZINC000351604923 286167008 /nfs/dbraw/zinc/16/70/08/286167008.db2.gz GEXPZBNGFKYHLY-APWZRJJASA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[N@@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000351604923 286167009 /nfs/dbraw/zinc/16/70/09/286167009.db2.gz GEXPZBNGFKYHLY-APWZRJJASA-N 2 1 302.462 2.548 20 0 DFADMP Cc1cc(C)cc([C@@H]2CC[N@H+](C[C@@H](O)C[NH+](C)C3CC3)C2)c1 ZINC000351604923 286167011 /nfs/dbraw/zinc/16/70/11/286167011.db2.gz GEXPZBNGFKYHLY-APWZRJJASA-N 2 1 302.462 2.548 20 0 DFADMP CCCC[C@H](COC)[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000373189593 150243903 /nfs/dbraw/zinc/24/39/03/150243903.db2.gz HZXMPANRHSOTQO-IAGOWNOFSA-N 2 1 320.481 2.857 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1O ZINC000373789936 150257520 /nfs/dbraw/zinc/25/75/20/150257520.db2.gz YQUNOEPCGOSUNB-BHYGNILZSA-N 2 1 318.461 2.938 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](CCc2cccs2)CC1 ZINC000351618378 286171347 /nfs/dbraw/zinc/17/13/47/286171347.db2.gz IVBSJNIEFIUUKT-QGZVFWFLSA-N 2 1 321.534 2.783 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000374140543 150311495 /nfs/dbraw/zinc/31/14/95/150311495.db2.gz FDNQSQSXXAPJPJ-ZWKOTPCHSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@@H](O)C[C@@H]1c1cccc(F)c1 ZINC000374140543 150311498 /nfs/dbraw/zinc/31/14/98/150311498.db2.gz FDNQSQSXXAPJPJ-ZWKOTPCHSA-N 2 1 317.408 2.919 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374162365 150315805 /nfs/dbraw/zinc/31/58/05/150315805.db2.gz NSDMCVQPNDTOTO-MRXNPFEDSA-N 2 1 315.461 2.821 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCC[C@H](c3cccnc3)C2)CC1 ZINC000374303921 150341305 /nfs/dbraw/zinc/34/13/05/150341305.db2.gz VWINDMXUABAZNN-FUHWJXTLSA-N 2 1 317.477 2.544 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000374321965 150343911 /nfs/dbraw/zinc/34/39/11/150343911.db2.gz AYCXUNZRQUOVNO-UHFFFAOYSA-N 2 1 310.445 2.933 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000374526806 150373060 /nfs/dbraw/zinc/37/30/60/150373060.db2.gz LSGSKBOBTXHBCG-NEPXVJNWSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000374526807 150373493 /nfs/dbraw/zinc/37/34/93/150373493.db2.gz LSGSKBOBTXHBCG-PBWTXFEYSA-N 2 1 302.462 2.912 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000352051816 286280430 /nfs/dbraw/zinc/28/04/30/286280430.db2.gz FNZRZHUYSGICKJ-SZMVWBNQSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352108724 286294124 /nfs/dbraw/zinc/29/41/24/286294124.db2.gz ZABCEVOAEKUYLJ-SZVBFZGTSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)CC[N@H+]1C[C@H](O)C[NH+](C)C1CC1 ZINC000352108724 286294126 /nfs/dbraw/zinc/29/41/26/286294126.db2.gz ZABCEVOAEKUYLJ-SZVBFZGTSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@H+](C)C1CC1 ZINC000352108724 286294127 /nfs/dbraw/zinc/29/41/27/286294127.db2.gz ZABCEVOAEKUYLJ-SZVBFZGTSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)CC[NH+]1C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352108724 286294128 /nfs/dbraw/zinc/29/41/28/286294128.db2.gz ZABCEVOAEKUYLJ-SZVBFZGTSA-N 2 1 302.462 2.710 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115202 286295877 /nfs/dbraw/zinc/29/58/77/286295877.db2.gz IUSSCSNDADTMKC-PMACEKPBSA-N 2 1 316.489 2.885 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115202 286295879 /nfs/dbraw/zinc/29/58/79/286295879.db2.gz IUSSCSNDADTMKC-PMACEKPBSA-N 2 1 316.489 2.885 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115202 286295881 /nfs/dbraw/zinc/29/58/81/286295881.db2.gz IUSSCSNDADTMKC-PMACEKPBSA-N 2 1 316.489 2.885 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115202 286295883 /nfs/dbraw/zinc/29/58/83/286295883.db2.gz IUSSCSNDADTMKC-PMACEKPBSA-N 2 1 316.489 2.885 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115204 286296052 /nfs/dbraw/zinc/29/60/52/286296052.db2.gz IUSSCSNDADTMKC-VQTJNVASSA-N 2 1 316.489 2.885 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC[C@@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115204 286296053 /nfs/dbraw/zinc/29/60/53/286296053.db2.gz IUSSCSNDADTMKC-VQTJNVASSA-N 2 1 316.489 2.885 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCC[C@@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115204 286296054 /nfs/dbraw/zinc/29/60/54/286296054.db2.gz IUSSCSNDADTMKC-VQTJNVASSA-N 2 1 316.489 2.885 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CCC[C@@](C)(c2ccccc2)CC1)C1CC1 ZINC000352115204 286296055 /nfs/dbraw/zinc/29/60/55/286296055.db2.gz IUSSCSNDADTMKC-VQTJNVASSA-N 2 1 316.489 2.885 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCN2CCc3ccccc32)CC1 ZINC000428252566 296687190 /nfs/dbraw/zinc/68/71/90/296687190.db2.gz JGFLSUCRPQWFEC-UHFFFAOYSA-N 2 1 324.472 2.737 20 0 DFADMP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352761747 286460360 /nfs/dbraw/zinc/46/03/60/286460360.db2.gz ZFHXHFHJFDPVSS-CJNGLKHVSA-N 2 1 311.495 2.746 20 0 DFADMP C[NH+](C)Cc1cnc(CNc2cccc(C[NH+](C)C)c2)s1 ZINC000352811463 286473950 /nfs/dbraw/zinc/47/39/50/286473950.db2.gz DKDGMTPEPWLNGK-UHFFFAOYSA-N 2 1 304.463 2.878 20 0 DFADMP C[C@@H](Cc1cccc(O)c1)[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352813106 286474428 /nfs/dbraw/zinc/47/44/28/286474428.db2.gz JNSUHLWBRYUZID-LBPRGKRZSA-N 2 1 305.447 2.631 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(C(=O)N2CCCCCC2)CC1 ZINC000191772902 158076733 /nfs/dbraw/zinc/07/67/33/158076733.db2.gz LIOMTVOTSFXRPR-UHFFFAOYSA-N 2 1 323.525 2.833 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245805750 158080480 /nfs/dbraw/zinc/08/04/80/158080480.db2.gz YMBXGVQHSQSWHW-YOEHRIQHSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245805750 158080482 /nfs/dbraw/zinc/08/04/82/158080482.db2.gz YMBXGVQHSQSWHW-YOEHRIQHSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245805750 158080485 /nfs/dbraw/zinc/08/04/85/158080485.db2.gz YMBXGVQHSQSWHW-YOEHRIQHSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC)[C@@H](C)C1 ZINC000245805750 158080487 /nfs/dbraw/zinc/08/04/87/158080487.db2.gz YMBXGVQHSQSWHW-YOEHRIQHSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2nc3c(cccc3F)n2C)[C@@H](C)C1 ZINC000246578005 158095978 /nfs/dbraw/zinc/09/59/78/158095978.db2.gz YKMWETCHGFRWJE-ZFWWWQNUSA-N 2 1 318.440 2.575 20 0 DFADMP CC(C)[C@@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000246878228 158103474 /nfs/dbraw/zinc/10/34/74/158103474.db2.gz DUOSIYUMEMNATO-MJGOQNOKSA-N 2 1 303.494 2.999 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000247023212 158113639 /nfs/dbraw/zinc/11/36/39/158113639.db2.gz NCTIZUSWRQWTFO-XHSDSOJGSA-N 2 1 308.491 2.975 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCOC1 ZINC000247023212 158113642 /nfs/dbraw/zinc/11/36/42/158113642.db2.gz NCTIZUSWRQWTFO-XHSDSOJGSA-N 2 1 308.491 2.975 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(OC)ccc2OC)[C@@H](C)C1 ZINC000247058582 158116903 /nfs/dbraw/zinc/11/69/03/158116903.db2.gz PJYPKWUNIGHRPC-WMLDXEAASA-N 2 1 306.450 2.566 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000247124362 158119848 /nfs/dbraw/zinc/11/98/48/158119848.db2.gz PXNDSVJQSVFXCS-NYTXWWLZSA-N 2 1 322.884 2.632 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc3c(c2)OCCO3)C1 ZINC000247225205 158123470 /nfs/dbraw/zinc/12/34/70/158123470.db2.gz XYJUZHAIFYSHKT-HUUCEWRRSA-N 2 1 304.434 2.840 20 0 DFADMP CCCCc1noc([C@H](C)N2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)n1 ZINC000247944560 158153792 /nfs/dbraw/zinc/15/37/92/158153792.db2.gz DKOPZVMUKWPUNI-KKUMJFAQSA-N 2 1 306.454 2.889 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H]2CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000247987767 158154787 /nfs/dbraw/zinc/15/47/87/158154787.db2.gz IZTBVOJDZCALAA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000247987767 158154790 /nfs/dbraw/zinc/15/47/90/158154790.db2.gz IZTBVOJDZCALAA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@H]2CCC[N@H+]2Cc2ccccc2)[C@H](C)C1 ZINC000247987767 158154795 /nfs/dbraw/zinc/15/47/95/158154795.db2.gz IZTBVOJDZCALAA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000247987767 158154800 /nfs/dbraw/zinc/15/48/00/158154800.db2.gz IZTBVOJDZCALAA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCCN2Cc2ccccc2)[C@H](C)C1 ZINC000247987767 158154804 /nfs/dbraw/zinc/15/48/04/158154804.db2.gz IZTBVOJDZCALAA-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP COC(=O)CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198592 158164890 /nfs/dbraw/zinc/16/48/90/158164890.db2.gz XWUKTVQMEXXRHM-ROUUACIJSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000248198592 158164894 /nfs/dbraw/zinc/16/48/94/158164894.db2.gz XWUKTVQMEXXRHM-ROUUACIJSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000248198592 158164898 /nfs/dbraw/zinc/16/48/98/158164898.db2.gz XWUKTVQMEXXRHM-ROUUACIJSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000248198592 158164901 /nfs/dbraw/zinc/16/49/01/158164901.db2.gz XWUKTVQMEXXRHM-ROUUACIJSA-N 2 1 316.445 2.536 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000248391010 158170152 /nfs/dbraw/zinc/17/01/52/158170152.db2.gz BSAUCOLVGGGOKL-SPYBWZPUSA-N 2 1 312.461 2.999 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000248391010 158170155 /nfs/dbraw/zinc/17/01/55/158170155.db2.gz BSAUCOLVGGGOKL-SPYBWZPUSA-N 2 1 312.461 2.999 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000248389046 158170704 /nfs/dbraw/zinc/17/07/04/158170704.db2.gz FXSUCOZYZWFAEA-DZGCQCFKSA-N 2 1 322.415 2.886 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000248409902 158173912 /nfs/dbraw/zinc/17/39/12/158173912.db2.gz XGZBCLCFBUMGGL-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248409902 158173915 /nfs/dbraw/zinc/17/39/15/158173915.db2.gz XGZBCLCFBUMGGL-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000248409902 158173917 /nfs/dbraw/zinc/17/39/17/158173917.db2.gz XGZBCLCFBUMGGL-XYJFISCASA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000248443784 158176751 /nfs/dbraw/zinc/17/67/51/158176751.db2.gz BHMOUDWRJXTHCV-GUDVDZBRSA-N 2 1 307.526 2.915 20 0 DFADMP Cc1cnn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)c1 ZINC000248755793 158200728 /nfs/dbraw/zinc/20/07/28/158200728.db2.gz CPQVUAQAXFHDLX-ACDBMABISA-N 2 1 324.472 2.977 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1coc2ccccc12 ZINC000349331918 158227078 /nfs/dbraw/zinc/22/70/78/158227078.db2.gz MZUGZHHUBXFXBR-UHFFFAOYSA-N 2 1 301.434 2.502 20 0 DFADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000355207631 158298350 /nfs/dbraw/zinc/29/83/50/158298350.db2.gz FUKJXWIZECFJKX-BPQIPLTHSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)cc1F ZINC000355207631 158298353 /nfs/dbraw/zinc/29/83/53/158298353.db2.gz FUKJXWIZECFJKX-BPQIPLTHSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000355207632 158298790 /nfs/dbraw/zinc/29/87/90/158298790.db2.gz FUKJXWIZECFJKX-CGTJXYLNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1F ZINC000355207632 158298793 /nfs/dbraw/zinc/29/87/93/158298793.db2.gz FUKJXWIZECFJKX-CGTJXYLNSA-N 2 1 306.425 2.818 20 0 DFADMP CO[C@@H](C)c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)cs1 ZINC000357084397 158362942 /nfs/dbraw/zinc/36/29/42/158362942.db2.gz QBWALKRFHIVYJK-GXTWGEPZSA-N 2 1 309.479 2.672 20 0 DFADMP Cc1noc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000357701700 158365732 /nfs/dbraw/zinc/36/57/32/158365732.db2.gz CBMUGZWICXHOEA-QGZVFWFLSA-N 2 1 320.481 2.899 20 0 DFADMP Cc1noc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)n1 ZINC000357701700 158365734 /nfs/dbraw/zinc/36/57/34/158365734.db2.gz CBMUGZWICXHOEA-QGZVFWFLSA-N 2 1 320.481 2.899 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358513964 158384685 /nfs/dbraw/zinc/38/46/85/158384685.db2.gz WXSZENDPOQPRBH-UHFFFAOYSA-N 2 1 302.462 2.711 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)CC1 ZINC000358344991 287157930 /nfs/dbraw/zinc/15/79/30/287157930.db2.gz MQVDKWFTNYJFIS-JTDSTZFVSA-N 2 1 316.493 2.537 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)CC1 ZINC000358344991 287157931 /nfs/dbraw/zinc/15/79/31/287157931.db2.gz MQVDKWFTNYJFIS-JTDSTZFVSA-N 2 1 316.493 2.537 20 0 DFADMP Fc1ccc(Br)cc1C[NH2+][C@H]1CCC[NH2+]CC1 ZINC000129181113 196026710 /nfs/dbraw/zinc/02/67/10/196026710.db2.gz GNELTTCRMYJLCE-LBPRGKRZSA-N 2 1 301.203 2.820 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1cccc(Cn2cccn2)c1 ZINC000129424776 196047676 /nfs/dbraw/zinc/04/76/76/196047676.db2.gz WUEOXTLZICTLSJ-JTDSTZFVSA-N 2 1 312.461 2.750 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130733203 196105719 /nfs/dbraw/zinc/10/57/19/196105719.db2.gz YVQURIGMPNUQNE-ZWKOTPCHSA-N 2 1 302.462 2.759 20 0 DFADMP C[C@H](CNC1CC[NH+](CCc2ccccc2)CC1)[N@@H+](C)C1CC1 ZINC000130849202 196115656 /nfs/dbraw/zinc/11/56/56/196115656.db2.gz JGQPMSNOCXHGNP-QGZVFWFLSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423217 196167228 /nfs/dbraw/zinc/16/72/28/196167228.db2.gz YSOWXJAAVPVKEH-INMHGKMJSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCC2)c1 ZINC000131423217 196167229 /nfs/dbraw/zinc/16/72/29/196167229.db2.gz YSOWXJAAVPVKEH-INMHGKMJSA-N 2 1 302.466 2.500 20 0 DFADMP CC[N@@H+](CC(=O)Nc1ccc(CC[NH+]2CCCC2)cc1)C1CC1 ZINC000131475124 196172270 /nfs/dbraw/zinc/17/22/70/196172270.db2.gz AVPQGFPKRSXXEY-UHFFFAOYSA-N 2 1 315.461 2.748 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCn1ccnc1 ZINC000131641267 196186905 /nfs/dbraw/zinc/18/69/05/196186905.db2.gz TUVWHJIKLJSNQX-MJGOQNOKSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH+](C)CCn1ccnc1 ZINC000131641267 196186907 /nfs/dbraw/zinc/18/69/07/196186907.db2.gz TUVWHJIKLJSNQX-MJGOQNOKSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@H+](C)CCn1ccnc1 ZINC000131641267 196186909 /nfs/dbraw/zinc/18/69/09/196186909.db2.gz TUVWHJIKLJSNQX-MJGOQNOKSA-N 2 1 312.461 2.726 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[N@@H+](C)CCn1ccnc1 ZINC000131641267 196186911 /nfs/dbraw/zinc/18/69/11/196186911.db2.gz TUVWHJIKLJSNQX-MJGOQNOKSA-N 2 1 312.461 2.726 20 0 DFADMP COCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000667518755 543621496 /nfs/dbraw/zinc/62/14/96/543621496.db2.gz AMUUHZYUEBFGTA-UHFFFAOYSA-N 2 1 300.406 2.658 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667561236 543631149 /nfs/dbraw/zinc/63/11/49/543631149.db2.gz PRVFFXBSNCBFRL-DLBZAZTESA-N 2 1 316.493 2.916 20 0 DFADMP COc1ccccc1CC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667599963 543639119 /nfs/dbraw/zinc/63/91/19/543639119.db2.gz GKVZUIHWEXSYGD-UHFFFAOYSA-N 2 1 322.412 2.950 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000667803843 543683377 /nfs/dbraw/zinc/68/33/77/543683377.db2.gz PHEGOUPOPWVYNW-CRAIPNDOSA-N 2 1 315.392 2.977 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1F ZINC000667803851 543683491 /nfs/dbraw/zinc/68/34/91/543683491.db2.gz PHEGOUPOPWVYNW-YJBOKZPZSA-N 2 1 315.392 2.977 20 0 DFADMP CCC(CC)(CC)C[NH2+]CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000667827472 543688115 /nfs/dbraw/zinc/68/81/15/543688115.db2.gz VNODALFJMXARPU-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP CCC(CC)(CC)C[NH2+]CCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000667827472 543688119 /nfs/dbraw/zinc/68/81/19/543688119.db2.gz VNODALFJMXARPU-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP C[N@@H+](CCC1CCOCC1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667660168 543652871 /nfs/dbraw/zinc/65/28/71/543652871.db2.gz BENYRYIYXSGRKU-UHFFFAOYSA-N 2 1 300.406 2.516 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC[N@@H+]1C ZINC000667667482 543656193 /nfs/dbraw/zinc/65/61/93/543656193.db2.gz NVTMSYCYDHODGO-AYBZRNKSSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC[N@H+]1C ZINC000667667482 543656195 /nfs/dbraw/zinc/65/61/95/543656195.db2.gz NVTMSYCYDHODGO-AYBZRNKSSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC[NH+]1C ZINC000667667482 543656197 /nfs/dbraw/zinc/65/61/97/543656197.db2.gz NVTMSYCYDHODGO-AYBZRNKSSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)Cc2ccc(O[C@H]3CCOC3)cc2)CC[NH+]1C ZINC000667667482 543656200 /nfs/dbraw/zinc/65/62/00/543656200.db2.gz NVTMSYCYDHODGO-AYBZRNKSSA-N 2 1 318.461 2.769 20 0 DFADMP CO[C@@]1(C)C[C@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000667690750 543660821 /nfs/dbraw/zinc/66/08/21/543660821.db2.gz HKJHURIDQJXBAF-WMZOPIPTSA-N 2 1 314.433 2.903 20 0 DFADMP COCc1csc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000667706509 543663987 /nfs/dbraw/zinc/66/39/87/543663987.db2.gz ANMAQEGTSMSVKW-USXIJHARSA-N 2 1 324.490 2.578 20 0 DFADMP COCc1csc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1 ZINC000667706509 543663989 /nfs/dbraw/zinc/66/39/89/543663989.db2.gz ANMAQEGTSMSVKW-USXIJHARSA-N 2 1 324.490 2.578 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1cccc(C[NH3+])c1 ZINC000667728618 543667757 /nfs/dbraw/zinc/66/77/57/543667757.db2.gz XROIYRBEUGFDKP-INIZCTEOSA-N 2 1 304.438 2.531 20 0 DFADMP C[N@@H+](CCNC(=O)Nc1cccc(C[NH3+])c1)C1CCCCC1 ZINC000667736875 543670673 /nfs/dbraw/zinc/67/06/73/543670673.db2.gz VPZCKYJBFNKWDK-UHFFFAOYSA-N 2 1 304.438 2.531 20 0 DFADMP Cc1c(Br)cncc1CN(C)C[C@H]1CC[N@@H+](C)C1 ZINC000668020212 543724634 /nfs/dbraw/zinc/72/46/34/543724634.db2.gz HCTKEXBSBOXLNI-LBPRGKRZSA-N 2 1 312.255 2.536 20 0 DFADMP COCC[N@@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CC[C@H](C)C1 ZINC000668055997 543731163 /nfs/dbraw/zinc/73/11/63/543731163.db2.gz PXASLVTZNVWJQU-RDJZCZTQSA-N 2 1 314.433 2.904 20 0 DFADMP Cc1cccc2[nH]c(C[N@@H+]3CCOC4(CC[NH+](C)CC4)C3)cc21 ZINC000668278094 543783340 /nfs/dbraw/zinc/78/33/40/543783340.db2.gz XZVDRKZOIDHQEG-UHFFFAOYSA-N 2 1 313.445 2.773 20 0 DFADMP Cc1cccc2[nH]c(C[N@H+]3CCOC4(CC[NH+](C)CC4)C3)cc21 ZINC000668278094 543783343 /nfs/dbraw/zinc/78/33/43/543783343.db2.gz XZVDRKZOIDHQEG-UHFFFAOYSA-N 2 1 313.445 2.773 20 0 DFADMP Cc1[nH+]cc(CN(CCCc2ccccc2)CC[NH+](C)C)n1C ZINC000668159631 543754422 /nfs/dbraw/zinc/75/44/22/543754422.db2.gz AIUNQZJJJXOLIL-UHFFFAOYSA-N 2 1 314.477 2.725 20 0 DFADMP CO[C@@H]1C[C@H]([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000668225023 543771673 /nfs/dbraw/zinc/77/16/73/543771673.db2.gz CFZRGSCTYUZRLS-DLBZAZTESA-N 2 1 312.417 2.657 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1ccccc1 ZINC000668694114 543847093 /nfs/dbraw/zinc/84/70/93/543847093.db2.gz ZVBFTUCXPJGFKT-LPHOPBHVSA-N 2 1 302.462 2.708 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2nccc3ccccc32)CCO1 ZINC000668784525 543866732 /nfs/dbraw/zinc/86/67/32/543866732.db2.gz DWJDRTXLNRYDBA-QGZVFWFLSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2nccc3ccccc32)CCO1 ZINC000668784525 543866729 /nfs/dbraw/zinc/86/67/29/543866729.db2.gz DWJDRTXLNRYDBA-QGZVFWFLSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc3cnccc32)CCO1 ZINC000668784266 543866896 /nfs/dbraw/zinc/86/68/96/543866896.db2.gz AFLLNQYQFXSHIS-SFHVURJKSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCOc3ccccc32)CCO1 ZINC000668785459 543867383 /nfs/dbraw/zinc/86/73/83/543867383.db2.gz QMSDEICAMASAMX-SJORKVTESA-N 2 1 318.461 2.595 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000296570244 226003266 /nfs/dbraw/zinc/00/32/66/226003266.db2.gz VZFHKZHNCOIIMP-CRAIPNDOSA-N 2 1 317.477 2.623 20 0 DFADMP Cc1cc(NC(=O)NCC[N@@H+](C)C2CCCC2)cn2cc[nH+]c12 ZINC000296754946 226197087 /nfs/dbraw/zinc/19/70/87/226197087.db2.gz DVSDWVQOCWHHPV-UHFFFAOYSA-N 2 1 315.421 2.639 20 0 DFADMP Cc1cc(NC(=O)NCC[N@H+](C)C2CCCC2)cn2cc[nH+]c12 ZINC000296754946 226197091 /nfs/dbraw/zinc/19/70/91/226197091.db2.gz DVSDWVQOCWHHPV-UHFFFAOYSA-N 2 1 315.421 2.639 20 0 DFADMP C[C@H]1CC[N@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H]1F ZINC000671686253 544097363 /nfs/dbraw/zinc/09/73/63/544097363.db2.gz CXNCMZOULMJWKB-HKUYNNGSSA-N 2 1 319.468 2.879 20 0 DFADMP C[C@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C[C@@H]1F ZINC000671686253 544097365 /nfs/dbraw/zinc/09/73/65/544097365.db2.gz CXNCMZOULMJWKB-HKUYNNGSSA-N 2 1 319.468 2.879 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000671741507 544105244 /nfs/dbraw/zinc/10/52/44/544105244.db2.gz LCKKRXIDCHPBAX-GVDBMIGSSA-N 2 1 303.450 2.831 20 0 DFADMP CC(C)Oc1ncccc1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000671741507 544105248 /nfs/dbraw/zinc/10/52/48/544105248.db2.gz LCKKRXIDCHPBAX-GVDBMIGSSA-N 2 1 303.450 2.831 20 0 DFADMP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000671742061 544105296 /nfs/dbraw/zinc/10/52/96/544105296.db2.gz WTENCXZTZVTJDU-UXHICEINSA-N 2 1 315.505 2.958 20 0 DFADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000671745717 544106042 /nfs/dbraw/zinc/10/60/42/544106042.db2.gz RUZCHVQOFBCMIF-UAGQMJEPSA-N 2 1 303.450 2.669 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1C[N@@H+](C)Cc2ccccc21 ZINC000673038762 544165474 /nfs/dbraw/zinc/16/54/74/544165474.db2.gz KAOVOEGHAYEWTL-WMZOPIPTSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@H]1C[N@H+](C)Cc2ccccc21 ZINC000673038762 544165478 /nfs/dbraw/zinc/16/54/78/544165478.db2.gz KAOVOEGHAYEWTL-WMZOPIPTSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000673038762 544165480 /nfs/dbraw/zinc/16/54/80/544165480.db2.gz KAOVOEGHAYEWTL-WMZOPIPTSA-N 2 1 315.461 2.554 20 0 DFADMP C[NH+]1Cc2ccccc2[C@@H](NC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000673038762 544165483 /nfs/dbraw/zinc/16/54/83/544165483.db2.gz KAOVOEGHAYEWTL-WMZOPIPTSA-N 2 1 315.461 2.554 20 0 DFADMP COC(=O)c1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)n(C)c1C ZINC000291236902 222247265 /nfs/dbraw/zinc/24/72/65/222247265.db2.gz QHQMCPSKDMSZGH-MRXNPFEDSA-N 2 1 323.481 2.576 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259342 222264324 /nfs/dbraw/zinc/26/43/24/222264324.db2.gz WTZXQRDOOPXXGV-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](C[C@H](O)c2ccc(C(F)(F)F)cc2)C1 ZINC000291259342 222264327 /nfs/dbraw/zinc/26/43/27/222264327.db2.gz WTZXQRDOOPXXGV-DOMZBBRYSA-N 2 1 316.367 2.622 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H]2COc3ccccc3O2)C[C@H]1C ZINC000674047789 544215622 /nfs/dbraw/zinc/21/56/22/544215622.db2.gz PKUQOYVTZWTYDE-PMPSAXMXSA-N 2 1 304.434 2.631 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H]2COc3ccccc3O2)C[C@H]1C ZINC000674047789 544215623 /nfs/dbraw/zinc/21/56/23/544215623.db2.gz PKUQOYVTZWTYDE-PMPSAXMXSA-N 2 1 304.434 2.631 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H]2COc3ccccc3O2)C[C@H]1C ZINC000674047789 544215624 /nfs/dbraw/zinc/21/56/24/544215624.db2.gz PKUQOYVTZWTYDE-PMPSAXMXSA-N 2 1 304.434 2.631 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H]2COc3ccccc3O2)C[C@H]1C ZINC000674047789 544215625 /nfs/dbraw/zinc/21/56/25/544215625.db2.gz PKUQOYVTZWTYDE-PMPSAXMXSA-N 2 1 304.434 2.631 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000674351993 544234130 /nfs/dbraw/zinc/23/41/30/544234130.db2.gz GDDVCWWTNQCAME-KURKYZTESA-N 2 1 321.509 2.726 20 0 DFADMP Cc1nccc([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@H+]3C)C2)n1 ZINC000675492838 544315993 /nfs/dbraw/zinc/31/59/93/544315993.db2.gz GNNORRIFVHCRSM-IRXDYDNUSA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@H]2CCC[NH+](CC[C@@H]3CCCC[N@@H+]3C)C2)n1 ZINC000675492838 544315994 /nfs/dbraw/zinc/31/59/94/544315994.db2.gz GNNORRIFVHCRSM-IRXDYDNUSA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@H]2CCC[N@@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000675492838 544315996 /nfs/dbraw/zinc/31/59/96/544315996.db2.gz GNNORRIFVHCRSM-IRXDYDNUSA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@H]2CCC[N@H+](CC[C@@H]3CCCC[NH+]3C)C2)n1 ZINC000675492838 544315998 /nfs/dbraw/zinc/31/59/98/544315998.db2.gz GNNORRIFVHCRSM-IRXDYDNUSA-N 2 1 302.466 2.839 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000675769518 544334946 /nfs/dbraw/zinc/33/49/46/544334946.db2.gz ZHPYVMKBQDBKTI-LULLPPNCSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000675769518 544334948 /nfs/dbraw/zinc/33/49/48/544334948.db2.gz ZHPYVMKBQDBKTI-LULLPPNCSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675811254 544338681 /nfs/dbraw/zinc/33/86/81/544338681.db2.gz ZEEQQTIMFSPZDS-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675811254 544338682 /nfs/dbraw/zinc/33/86/82/544338682.db2.gz ZEEQQTIMFSPZDS-BHIYHBOVSA-N 2 1 301.478 2.753 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675883234 544341324 /nfs/dbraw/zinc/34/13/24/544341324.db2.gz YOGBABHUBXHDMW-MJGOQNOKSA-N 2 1 300.446 2.907 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCc3c4ccccc4[nH]c32)CC1 ZINC000675889336 544341844 /nfs/dbraw/zinc/34/18/44/544341844.db2.gz BPSNQLIJIBHDDS-GOSISDBHSA-N 2 1 313.445 2.592 20 0 DFADMP C[C@@H](CCc1ccsc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871755 297208897 /nfs/dbraw/zinc/20/88/97/297208897.db2.gz GNZVGTKZRGJLGD-HNNXBMFYSA-N 2 1 309.523 2.685 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H](Cn1cccn1)c1ccccc1 ZINC000675899412 544342873 /nfs/dbraw/zinc/34/28/73/544342873.db2.gz GPEUPAWBRAYGQO-MNEFBYGVSA-N 2 1 310.445 2.697 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cn3cccc(C)c3n2)[C@@H](C)C1 ZINC000675925266 544344588 /nfs/dbraw/zinc/34/45/88/544344588.db2.gz JUYKEHDKWOTFMP-DOTOQJQBSA-N 2 1 300.450 2.505 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2nc(C)sc2C)CC1 ZINC000676490679 544379364 /nfs/dbraw/zinc/37/93/64/544379364.db2.gz RCMJRMCVHBUKOH-CQSZACIVSA-N 2 1 324.538 2.828 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2ccn(C)n2)C[N@H+]1Cc1ccccc1 ZINC000677129232 544437997 /nfs/dbraw/zinc/43/79/97/544437997.db2.gz OMJTVSLJHOZJQN-AEFFLSMTSA-N 2 1 312.461 2.810 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000677241556 544457236 /nfs/dbraw/zinc/45/72/36/544457236.db2.gz QLWFIOAXDOAKSW-ZQIUZPCESA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)OCC[C@@H]2[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000677241556 544457239 /nfs/dbraw/zinc/45/72/39/544457239.db2.gz QLWFIOAXDOAKSW-ZQIUZPCESA-N 2 1 302.418 2.735 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H]1C[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000677804307 544543161 /nfs/dbraw/zinc/54/31/61/544543161.db2.gz FBHQKDFGUGHOAP-AEFFLSMTSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000678044270 544587029 /nfs/dbraw/zinc/58/70/29/544587029.db2.gz NVABFELHZMEBIU-YTQUADARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000678044270 544587032 /nfs/dbraw/zinc/58/70/32/544587032.db2.gz NVABFELHZMEBIU-YTQUADARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000678044270 544587035 /nfs/dbraw/zinc/58/70/35/544587035.db2.gz NVABFELHZMEBIU-YTQUADARSA-N 2 1 302.462 2.601 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000678257602 544634321 /nfs/dbraw/zinc/63/43/21/544634321.db2.gz XZNZDXZWUCILFA-CYBMUJFWSA-N 2 1 305.451 2.551 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000678257602 544634322 /nfs/dbraw/zinc/63/43/22/544634322.db2.gz XZNZDXZWUCILFA-CYBMUJFWSA-N 2 1 305.451 2.551 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1C ZINC000678258187 544634573 /nfs/dbraw/zinc/63/45/73/544634573.db2.gz WPKGTGLWDCZLCT-HXUWFJFHSA-N 2 1 315.505 2.824 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@@H]3CCCC[C@H]32)cc1 ZINC000678182648 544616778 /nfs/dbraw/zinc/61/67/78/544616778.db2.gz ZXFHMWXUQVLZJH-RTBURBONSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CC(C)(C)O1 ZINC000678213737 544620861 /nfs/dbraw/zinc/62/08/61/544620861.db2.gz DVUSQNPEHVOSIY-OAHLLOKOSA-N 2 1 306.450 2.626 20 0 DFADMP COC[C@@H]1CC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000678261034 544636447 /nfs/dbraw/zinc/63/64/47/544636447.db2.gz SABXMKAHUSBPKW-GOSISDBHSA-N 2 1 318.461 2.630 20 0 DFADMP c1ccc2c(c1)OCC[C@H]2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678277064 544641078 /nfs/dbraw/zinc/64/10/78/544641078.db2.gz PVBHLNMVGMQROD-IRXDYDNUSA-N 2 1 300.446 2.970 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000678608511 544701759 /nfs/dbraw/zinc/70/17/59/544701759.db2.gz XIJGQMNAVOENLF-AYOQOUSVSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H](CO)CC2CC2)CC[N@H+]1Cc1ccccc1 ZINC000678608511 544701763 /nfs/dbraw/zinc/70/17/63/544701763.db2.gz XIJGQMNAVOENLF-AYOQOUSVSA-N 2 1 302.462 2.790 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000679023746 544770053 /nfs/dbraw/zinc/77/00/53/544770053.db2.gz WLEIWOCENKTBFT-HUUCEWRRSA-N 2 1 300.450 2.671 20 0 DFADMP COC[C@H](CC(C)C)[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000679031823 544771840 /nfs/dbraw/zinc/77/18/40/544771840.db2.gz IYFPAQJGBWAZHL-IRXDYDNUSA-N 2 1 320.481 2.713 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3cncs3)C2)nc(C)[nH+]1 ZINC000679035852 544772664 /nfs/dbraw/zinc/77/26/64/544772664.db2.gz QYYVBUVQNKHHNK-TZMCWYRMSA-N 2 1 317.462 2.870 20 0 DFADMP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CC[NH+](CCO)CC2)cc1 ZINC000679037929 544772938 /nfs/dbraw/zinc/77/29/38/544772938.db2.gz YVCQZGXDYWZIKE-RBUKOAKNSA-N 2 1 302.462 2.677 20 0 DFADMP C[C@@H]1C[C@@H](Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@H+]1C ZINC000679053039 544775197 /nfs/dbraw/zinc/77/51/97/544775197.db2.gz XPZBIWLJSQHXKX-QAPCUYQASA-N 2 1 317.477 2.538 20 0 DFADMP C[C@H]1C[C@H](Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@H+]1C ZINC000679053037 544775346 /nfs/dbraw/zinc/77/53/46/544775346.db2.gz XPZBIWLJSQHXKX-MAUKXSAKSA-N 2 1 317.477 2.538 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000679076092 544780186 /nfs/dbraw/zinc/78/01/86/544780186.db2.gz QNOUFIPPVSCPKY-PBWTXFEYSA-N 2 1 307.526 2.959 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]Cc2ccn(C)c(=O)c2)cc1 ZINC000679824941 544914027 /nfs/dbraw/zinc/91/40/27/544914027.db2.gz OEEWRLPZSRAIDV-CQSZACIVSA-N 2 1 322.412 2.730 20 0 DFADMP C[C@H]1C[N@@H+](C[C@@H](O)CN(C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091135 544956992 /nfs/dbraw/zinc/95/69/92/544956992.db2.gz KOHQWPJASHDIPO-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091135 544956996 /nfs/dbraw/zinc/95/69/96/544956996.db2.gz KOHQWPJASHDIPO-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091135 544956999 /nfs/dbraw/zinc/95/69/99/544956999.db2.gz KOHQWPJASHDIPO-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091135 544957003 /nfs/dbraw/zinc/95/70/03/544957003.db2.gz KOHQWPJASHDIPO-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC(C)(C)C1 ZINC000680091135 544957007 /nfs/dbraw/zinc/95/70/07/544957007.db2.gz KOHQWPJASHDIPO-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000680112338 544960612 /nfs/dbraw/zinc/96/06/12/544960612.db2.gz VHGVXPKKDZXMIA-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CC[C@H](C(C)(C)C)C1 ZINC000680112338 544960615 /nfs/dbraw/zinc/96/06/15/544960615.db2.gz VHGVXPKKDZXMIA-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680112338 544960619 /nfs/dbraw/zinc/96/06/19/544960619.db2.gz VHGVXPKKDZXMIA-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CC[C@H](C(C)(C)C)C1 ZINC000680112338 544960623 /nfs/dbraw/zinc/96/06/23/544960623.db2.gz VHGVXPKKDZXMIA-ROUUACIJSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000680377995 545001499 /nfs/dbraw/zinc/00/14/99/545001499.db2.gz CRHSCRHAUPEQKC-JFIYKMOQSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@@H](C)C1[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000680377995 545001501 /nfs/dbraw/zinc/00/15/01/545001501.db2.gz CRHSCRHAUPEQKC-JFIYKMOQSA-N 2 1 304.478 2.894 20 0 DFADMP Cc1ccccc1[C@H](C)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124485019 425922648 /nfs/dbraw/zinc/92/26/48/425922648.db2.gz CHSODLUZZSYFOI-KRWDZBQOSA-N 2 1 303.494 2.919 20 0 DFADMP Cc1cccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c1 ZINC000124528407 425924338 /nfs/dbraw/zinc/92/43/38/425924338.db2.gz NOMUOGBCUPKKBE-QGZVFWFLSA-N 2 1 303.494 2.919 20 0 DFADMP CC(C)[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000155777557 425926452 /nfs/dbraw/zinc/92/64/52/425926452.db2.gz UFNXXUIIVLTWDU-WMZOPIPTSA-N 2 1 319.493 2.599 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000155870217 425928631 /nfs/dbraw/zinc/92/86/31/425928631.db2.gz NWEKVRZABXKYLZ-GOEBONIOSA-N 2 1 300.450 2.665 20 0 DFADMP [NH3+]CC1CC[NH+](Cc2cc(F)ccc2Br)CC1 ZINC000044514344 425856935 /nfs/dbraw/zinc/85/69/35/425856935.db2.gz ABRVKXRRQDGBEG-UHFFFAOYSA-N 2 1 301.203 2.759 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3occc32)CC1 ZINC000192829304 268050072 /nfs/dbraw/zinc/05/00/72/268050072.db2.gz RXISFJWMYNUJBR-QGZVFWFLSA-N 2 1 305.466 2.520 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CCC[NH+]3CCCCC3)c(C)n2n1 ZINC000192925326 268053988 /nfs/dbraw/zinc/05/39/88/268053988.db2.gz CCEURJPVSZGECM-HNNXBMFYSA-N 2 1 315.465 2.873 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000195306697 268131910 /nfs/dbraw/zinc/13/19/10/268131910.db2.gz SNBIQJZYZIZUQQ-QGZVFWFLSA-N 2 1 317.477 2.668 20 0 DFADMP CCCN(CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)C(=O)OC(C)(C)C ZINC000222408739 268141376 /nfs/dbraw/zinc/14/13/76/268141376.db2.gz JCVVCPPRYMBUSH-GJZGRUSLSA-N 2 1 313.486 2.706 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000223931237 268141690 /nfs/dbraw/zinc/14/16/90/268141690.db2.gz MTRDCOPWHMESGS-HOTGVXAUSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000223931237 268141693 /nfs/dbraw/zinc/14/16/93/268141693.db2.gz MTRDCOPWHMESGS-HOTGVXAUSA-N 2 1 323.481 2.602 20 0 DFADMP CC[NH+](CC)C[C@H](C)[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000223404128 268142612 /nfs/dbraw/zinc/14/26/12/268142612.db2.gz YITJFLVIRAKHRN-AWEZNQCLSA-N 2 1 313.486 2.706 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)C(C)(C)C[NH3+])c1 ZINC000236726547 268149232 /nfs/dbraw/zinc/14/92/32/268149232.db2.gz LARKHWFNHBHKTK-UHFFFAOYSA-N 2 1 319.493 2.910 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(CNC(=O)C(C)(C)C[NH3+])cc1 ZINC000237683817 268158970 /nfs/dbraw/zinc/15/89/70/268158970.db2.gz DSVUUIFSSGWBLM-OAHLLOKOSA-N 2 1 317.477 2.662 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000270613904 268192076 /nfs/dbraw/zinc/19/20/76/268192076.db2.gz ITFXCNUJPCOKSN-UHFFFAOYSA-N 2 1 323.444 2.958 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cnn(Cc2ccccc2)c1 ZINC000270613904 268192077 /nfs/dbraw/zinc/19/20/77/268192077.db2.gz ITFXCNUJPCOKSN-UHFFFAOYSA-N 2 1 323.444 2.958 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000270904599 268233175 /nfs/dbraw/zinc/23/31/75/268233175.db2.gz RUWQGBOJZWTFDT-SFHVURJKSA-N 2 1 301.434 2.711 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1ccccc1)[C@@H](CO)C(C)C ZINC000270904599 268233178 /nfs/dbraw/zinc/23/31/78/268233178.db2.gz RUWQGBOJZWTFDT-SFHVURJKSA-N 2 1 301.434 2.711 20 0 DFADMP CCN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)C(=O)OC(C)(C)C ZINC000300201184 268320960 /nfs/dbraw/zinc/32/09/60/268320960.db2.gz PESMTACBVNMYJK-HUUCEWRRSA-N 2 1 313.486 2.706 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)CCCNC(=O)OC(C)(C)C)C1 ZINC000309976209 268336842 /nfs/dbraw/zinc/33/68/42/268336842.db2.gz RGTPIFVWAXCUBD-HUUCEWRRSA-N 2 1 313.486 2.611 20 0 DFADMP CC1(C)Cc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c2O1 ZINC000319317078 268346405 /nfs/dbraw/zinc/34/64/05/268346405.db2.gz YVQQWRSYNTUAEW-IYBDPMFKSA-N 2 1 300.446 2.832 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322891699 268349791 /nfs/dbraw/zinc/34/97/91/268349791.db2.gz FCCYILXOJKGYLF-HZTRTUMWSA-N 2 1 316.445 2.951 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(Br)s1 ZINC000049330261 425878996 /nfs/dbraw/zinc/87/89/96/425878996.db2.gz WEUMOMRICACYRG-UHFFFAOYSA-N 2 1 300.225 2.805 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cncn2C)CC1 ZINC000158883904 425949599 /nfs/dbraw/zinc/94/95/99/425949599.db2.gz TXLWWDHGRXKQFP-INIZCTEOSA-N 2 1 304.482 2.897 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H](C)[C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000336896262 268450974 /nfs/dbraw/zinc/45/09/74/268450974.db2.gz NULOFTDVTDMVAH-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336896262 268450975 /nfs/dbraw/zinc/45/09/75/268450975.db2.gz NULOFTDVTDMVAH-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336896262 268450977 /nfs/dbraw/zinc/45/09/77/268450977.db2.gz NULOFTDVTDMVAH-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000336896262 268450979 /nfs/dbraw/zinc/45/09/79/268450979.db2.gz NULOFTDVTDMVAH-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000336896262 268450980 /nfs/dbraw/zinc/45/09/80/268450980.db2.gz NULOFTDVTDMVAH-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CCCCN1CCC([NH2+]C2CCN(c3ccccn3)CC2)CC1 ZINC000125141442 425955009 /nfs/dbraw/zinc/95/50/09/425955009.db2.gz XLLGOUYLQSOKSE-UHFFFAOYSA-N 3 1 316.493 2.905 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H]2CCCc3nc(C)sc32)CC1 ZINC000159183602 425957004 /nfs/dbraw/zinc/95/70/04/425957004.db2.gz PKYBZTFKNZMHSF-MRXNPFEDSA-N 2 1 323.506 2.919 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCOCCc1ccccc1 ZINC000125306271 425964441 /nfs/dbraw/zinc/96/44/41/425964441.db2.gz UKFZDGOKTFZOEC-LMMKCTJWSA-N 2 1 304.478 2.954 20 0 DFADMP CC(C)Oc1ccc([C@@H](O)C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000125366421 425968561 /nfs/dbraw/zinc/96/85/61/425968561.db2.gz FATWSBOYLLBNSH-HFTRVMKXSA-N 2 1 306.450 2.580 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(Cl)c3c(c2)OCCO3)C1 ZINC000070170770 425969006 /nfs/dbraw/zinc/96/90/06/425969006.db2.gz QQUIZBHUSVFKFK-GFCCVEGCSA-N 2 1 310.825 2.672 20 0 DFADMP [NH3+]CC[C@H]1CCCC[N@H+]1CCC(=O)Nc1cccc(Cl)c1 ZINC000070149955 425969163 /nfs/dbraw/zinc/96/91/63/425969163.db2.gz HVMZLJOPKCNXQH-OAHLLOKOSA-N 2 1 309.841 2.872 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000125515980 425976608 /nfs/dbraw/zinc/97/66/08/425976608.db2.gz UNIJSHHYTWTQAS-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C1 ZINC000125515980 425976611 /nfs/dbraw/zinc/97/66/11/425976611.db2.gz UNIJSHHYTWTQAS-ZDUSSCGKSA-N 2 1 302.397 2.599 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000106869071 425976612 /nfs/dbraw/zinc/97/66/12/425976612.db2.gz BGUAIIQPKKWTNW-UONOGXRCSA-N 2 1 302.447 2.855 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000106869071 425976614 /nfs/dbraw/zinc/97/66/14/425976614.db2.gz BGUAIIQPKKWTNW-UONOGXRCSA-N 2 1 302.447 2.855 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+]3CCC[C@@H]3C2)C[N@H+]1Cc1ccccc1 ZINC000161593330 426030826 /nfs/dbraw/zinc/03/08/26/426030826.db2.gz XGRHAFKBAZGUTK-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000161593330 426030829 /nfs/dbraw/zinc/03/08/29/426030829.db2.gz XGRHAFKBAZGUTK-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)C[NH+]1Cc1ccccc1 ZINC000161593330 426030832 /nfs/dbraw/zinc/03/08/32/426030832.db2.gz XGRHAFKBAZGUTK-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000161593330 426030834 /nfs/dbraw/zinc/03/08/34/426030834.db2.gz XGRHAFKBAZGUTK-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CN1Cc1ccccc1 ZINC000161593330 426030838 /nfs/dbraw/zinc/03/08/38/426030838.db2.gz XGRHAFKBAZGUTK-RSPOEFSDSA-N 2 1 313.489 2.866 20 0 DFADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126654710 426031002 /nfs/dbraw/zinc/03/10/02/426031002.db2.gz FVRGPQHLKHCLSC-DLBZAZTESA-N 2 1 303.494 2.958 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000110820626 426036697 /nfs/dbraw/zinc/03/66/97/426036697.db2.gz DRUDOKHLOMJDNU-MRXNPFEDSA-N 2 1 323.278 2.990 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000126825993 426038491 /nfs/dbraw/zinc/03/84/91/426038491.db2.gz ZVIDYTMUFFDBTN-ZMSDIMECSA-N 2 1 304.482 2.746 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000126825993 426038493 /nfs/dbraw/zinc/03/84/93/426038493.db2.gz ZVIDYTMUFFDBTN-ZMSDIMECSA-N 2 1 304.482 2.746 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cn1 ZINC000126825592 426038893 /nfs/dbraw/zinc/03/88/93/426038893.db2.gz ZVIDYTMUFFDBTN-YQQAZPJKSA-N 2 1 304.482 2.746 20 0 DFADMP CCN(CC)c1ccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cn1 ZINC000126825592 426038896 /nfs/dbraw/zinc/03/88/96/426038896.db2.gz ZVIDYTMUFFDBTN-YQQAZPJKSA-N 2 1 304.482 2.746 20 0 DFADMP CCC[C@@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000126863272 426039646 /nfs/dbraw/zinc/03/96/46/426039646.db2.gz XZNVIYLWOIYTDO-WMZOPIPTSA-N 2 1 319.493 2.744 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000161964989 426047620 /nfs/dbraw/zinc/04/76/20/426047620.db2.gz UYOZBLNPBRHWFL-UHFFFAOYSA-N 2 1 318.387 2.542 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCN(CC(F)(F)F)CC1 ZINC000161964989 426047624 /nfs/dbraw/zinc/04/76/24/426047624.db2.gz UYOZBLNPBRHWFL-UHFFFAOYSA-N 2 1 318.387 2.542 20 0 DFADMP COc1cccc([C@H](C)[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000126468952 426020316 /nfs/dbraw/zinc/02/03/16/426020316.db2.gz PGWVRBZEQNNHRF-INIZCTEOSA-N 2 1 319.493 2.714 20 0 DFADMP C[N@H+](CCC(=O)Nc1ccccc1F)CC[C@@H]1CCCC[NH+]1C ZINC000075860161 426088905 /nfs/dbraw/zinc/08/89/05/426088905.db2.gz RWTYBCVBOUTJHF-HNNXBMFYSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1F)CC[C@@H]1CCCC[N@@H+]1C ZINC000075860161 426088908 /nfs/dbraw/zinc/08/89/08/426088908.db2.gz RWTYBCVBOUTJHF-HNNXBMFYSA-N 2 1 321.440 2.961 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1F)CC[C@@H]1CCCC[N@H+]1C ZINC000075860161 426088911 /nfs/dbraw/zinc/08/89/11/426088911.db2.gz RWTYBCVBOUTJHF-HNNXBMFYSA-N 2 1 321.440 2.961 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000163085017 426089005 /nfs/dbraw/zinc/08/90/05/426089005.db2.gz HBLRSAGPCDPOTP-NXHRZFHOSA-N 2 1 316.445 2.625 20 0 DFADMP CC(C)C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccn1 ZINC000128253020 426109280 /nfs/dbraw/zinc/10/92/80/426109280.db2.gz GGSCGCRTUKJSPA-IBGZPJMESA-N 2 1 318.509 2.786 20 0 DFADMP CC[N@H+]1CC[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076458389 426112289 /nfs/dbraw/zinc/11/22/89/426112289.db2.gz CHNCJTOESAIWKP-SFHVURJKSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076458389 426112290 /nfs/dbraw/zinc/11/22/90/426112290.db2.gz CHNCJTOESAIWKP-SFHVURJKSA-N 2 1 301.478 2.582 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076458389 426112293 /nfs/dbraw/zinc/11/22/93/426112293.db2.gz CHNCJTOESAIWKP-SFHVURJKSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000113515809 426116208 /nfs/dbraw/zinc/11/62/08/426116208.db2.gz KVYPFBVKSXCEMY-CYBMUJFWSA-N 2 1 309.841 2.552 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CC2 ZINC000128506214 426120362 /nfs/dbraw/zinc/12/03/62/426120362.db2.gz QHNIGKQYQBXMDS-LJQANCHMSA-N 2 1 301.478 2.600 20 0 DFADMP CCOc1ccccc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128583917 426124124 /nfs/dbraw/zinc/12/41/24/426124124.db2.gz ZGLQBWVILNZBAZ-QGZVFWFLSA-N 2 1 319.493 2.764 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000166351123 426126914 /nfs/dbraw/zinc/12/69/14/426126914.db2.gz YMOMGZGNONWBMG-AEFFLSMTSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[NH+](C)[C@@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000166337351 426127761 /nfs/dbraw/zinc/12/77/61/426127761.db2.gz AZPRWTRAZHBWOO-RNIPGJKVSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@H+](C)[C@@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000166337351 426127765 /nfs/dbraw/zinc/12/77/65/426127765.db2.gz AZPRWTRAZHBWOO-RNIPGJKVSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@@H](N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000166337351 426127766 /nfs/dbraw/zinc/12/77/66/426127766.db2.gz AZPRWTRAZHBWOO-RNIPGJKVSA-N 2 1 301.478 2.722 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@@H]2C2CCCC2)CC1 ZINC000114455556 426136412 /nfs/dbraw/zinc/13/64/12/426136412.db2.gz UVSJVBZSXVMNOY-GOSISDBHSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCC[C@H]2CC(C)(C)C)CC1 ZINC000114455900 426136509 /nfs/dbraw/zinc/13/65/09/426136509.db2.gz CTADOIZGASAURQ-KRWDZBQOSA-N 2 1 323.525 2.876 20 0 DFADMP COc1cccc([C@H](CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)[NH+](C)C)c1 ZINC000127659869 426079483 /nfs/dbraw/zinc/07/94/83/426079483.db2.gz KGWGIWLZBMHTIG-SCTDSRPQSA-N 2 1 317.477 2.514 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000112582889 426083458 /nfs/dbraw/zinc/08/34/58/426083458.db2.gz GCBAVCMJNXMMAQ-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000112582889 426083460 /nfs/dbraw/zinc/08/34/60/426083460.db2.gz GCBAVCMJNXMMAQ-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2=CCCOC2)CC[N@H+]1Cc1ccccc1 ZINC000127762918 426084792 /nfs/dbraw/zinc/08/47/92/426084792.db2.gz XAYKGQKMUMZFIY-APWZRJJASA-N 2 1 300.446 2.976 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2[C@H](C)C[C@H]3CCCC[C@@H]32)CC1 ZINC000075837483 426085899 /nfs/dbraw/zinc/08/58/99/426085899.db2.gz UXKYFKVZZXUZCS-NUJGCVRESA-N 2 1 321.509 2.628 20 0 DFADMP C[NH+](C)CCC1CC[NH+](Cc2nc(C3CCCC3)no2)CC1 ZINC000133459249 426177744 /nfs/dbraw/zinc/17/77/44/426177744.db2.gz ZXSUDFDSIATBKN-UHFFFAOYSA-N 2 1 306.454 2.891 20 0 DFADMP C[C@H]([NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)C(=O)Nc1ccccc1 ZINC000116396152 426188724 /nfs/dbraw/zinc/18/87/24/426188724.db2.gz USACVRFZFUZHTC-HOCLYGCPSA-N 2 1 305.466 2.970 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccccc2OC)[C@H](C)C1 ZINC000081096234 426219678 /nfs/dbraw/zinc/21/96/78/426219678.db2.gz JJFLKQGPKYZPDT-HZPDHXFCSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccccc2OC)[C@H](C)C1 ZINC000081096234 426219680 /nfs/dbraw/zinc/21/96/80/426219680.db2.gz JJFLKQGPKYZPDT-HZPDHXFCSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccccc2OC)[C@H](C)C1 ZINC000081096234 426219681 /nfs/dbraw/zinc/21/96/81/426219681.db2.gz JJFLKQGPKYZPDT-HZPDHXFCSA-N 2 1 306.450 2.736 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000136302423 426238935 /nfs/dbraw/zinc/23/89/35/426238935.db2.gz LULLDXDJECHRPS-UHFFFAOYSA-N 2 1 318.465 2.520 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)NCCC1=CCCCC1 ZINC000136302423 426238939 /nfs/dbraw/zinc/23/89/39/426238939.db2.gz LULLDXDJECHRPS-UHFFFAOYSA-N 2 1 318.465 2.520 20 0 DFADMP C[C@H](C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000118773585 426244215 /nfs/dbraw/zinc/24/42/15/426244215.db2.gz AWPIJLDLTXAIJP-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP CN(CC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000085823290 426254563 /nfs/dbraw/zinc/25/45/63/426254563.db2.gz UXWBQNVHOUAREK-GOSISDBHSA-N 2 1 301.478 2.931 20 0 DFADMP CC(C)C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000119256298 426271996 /nfs/dbraw/zinc/27/19/96/426271996.db2.gz GGIBHRFTWKDYPH-QGZVFWFLSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccccc1Cn1cccn1 ZINC000119251607 426272104 /nfs/dbraw/zinc/27/21/04/426272104.db2.gz HKHQSYMSJARPNQ-MDZRGWNJSA-N 2 1 312.461 2.750 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000135199885 426208293 /nfs/dbraw/zinc/20/82/93/426208293.db2.gz HYKDENQFQPNTBO-SJLPKXTDSA-N 2 1 317.477 2.702 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000135199885 426208295 /nfs/dbraw/zinc/20/82/95/426208295.db2.gz HYKDENQFQPNTBO-SJLPKXTDSA-N 2 1 317.477 2.702 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)[C@H](C)C1 ZINC000135199885 426208298 /nfs/dbraw/zinc/20/82/98/426208298.db2.gz HYKDENQFQPNTBO-SJLPKXTDSA-N 2 1 317.477 2.702 20 0 DFADMP Cc1ccc([C@H](O)C[N@@H+]2CCC[C@H](Cc3nccn3C)C2)cc1 ZINC000119439088 426288326 /nfs/dbraw/zinc/28/83/26/426288326.db2.gz DUNRAJZIHPXKMN-SJLPKXTDSA-N 2 1 313.445 2.717 20 0 DFADMP CC(C)[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000151474950 426297777 /nfs/dbraw/zinc/29/77/77/426297777.db2.gz UFNXXUIIVLTWDU-FUHWJXTLSA-N 2 1 319.493 2.599 20 0 DFADMP CC[C@H](C)C[N@@H+](Cc1nccn1CC)[C@@H]1CC12CC[NH2+]CC2 ZINC000339407387 268810521 /nfs/dbraw/zinc/81/05/21/268810521.db2.gz KFJBOIZYBYKFOF-JKSUJKDBSA-N 2 1 304.482 2.893 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1nc2c(cccc2F)n1C ZINC000089674465 426301464 /nfs/dbraw/zinc/30/14/64/426301464.db2.gz ASDIOSLNOCNBNM-IPYPFGDCSA-N 2 1 318.440 2.573 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)c1 ZINC000121231940 426327268 /nfs/dbraw/zinc/32/72/68/426327268.db2.gz PVHPHNNCYTUWBV-OHQAAIJDSA-N 2 1 319.493 2.616 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+](C)C)c1 ZINC000121231940 426327270 /nfs/dbraw/zinc/32/72/70/426327270.db2.gz PVHPHNNCYTUWBV-OHQAAIJDSA-N 2 1 319.493 2.616 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)[NH+](C)C)c1 ZINC000121231940 426327274 /nfs/dbraw/zinc/32/72/74/426327274.db2.gz PVHPHNNCYTUWBV-OHQAAIJDSA-N 2 1 319.493 2.616 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000090721626 426330129 /nfs/dbraw/zinc/33/01/29/426330129.db2.gz CDUFFGRYNPVNIX-DGCLKSJQSA-N 2 1 310.825 2.684 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000090721626 426330131 /nfs/dbraw/zinc/33/01/31/426330131.db2.gz CDUFFGRYNPVNIX-DGCLKSJQSA-N 2 1 310.825 2.684 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000090888417 426332807 /nfs/dbraw/zinc/33/28/07/426332807.db2.gz SLGMYTWHEOTQEK-IIDMSEBBSA-N 2 1 320.477 2.955 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@H](O)c1ccc(Cl)c(F)c1 ZINC000090936170 426333756 /nfs/dbraw/zinc/33/37/56/426333756.db2.gz XNHRWXMRJZXOPD-OVTCNUJSSA-N 2 1 314.832 2.831 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000119357087 426281636 /nfs/dbraw/zinc/28/16/36/426281636.db2.gz SYYMTHKVXFCEKQ-GOSISDBHSA-N 2 1 317.477 2.598 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000151263218 426287366 /nfs/dbraw/zinc/28/73/66/426287366.db2.gz ZSPJDSBJZSOVFJ-FUHWJXTLSA-N 2 1 306.450 2.583 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCCO2 ZINC000122850165 426399202 /nfs/dbraw/zinc/39/92/02/426399202.db2.gz XUOBMFVVKZNDEU-ZDUSSCGKSA-N 2 1 302.418 2.735 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCN2CCc3ccccc32)[C@H](C)C1 ZINC000121492595 426346689 /nfs/dbraw/zinc/34/66/89/426346689.db2.gz VJZJJRLEVKAFEI-SJLPKXTDSA-N 2 1 301.478 2.759 20 0 DFADMP C[C@@H]1CCC[C@@H](C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)C1 ZINC000092796437 426352743 /nfs/dbraw/zinc/35/27/43/426352743.db2.gz ZGAPTDHKWBDIKK-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000122097628 426357506 /nfs/dbraw/zinc/35/75/06/426357506.db2.gz XFHDWLZRFZQIMV-NUEKZKHPSA-N 2 1 323.481 2.506 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@H]1CCCO1 ZINC000152878855 426358361 /nfs/dbraw/zinc/35/83/61/426358361.db2.gz NWJWXDVIZYILHH-DNVCBOLYSA-N 2 1 320.452 2.990 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000153243116 426377120 /nfs/dbraw/zinc/37/71/20/426377120.db2.gz ICYJEILTNLFWJD-SJLPKXTDSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000122758675 426392240 /nfs/dbraw/zinc/39/22/40/426392240.db2.gz GGOASSOBZMNHJR-VQIMIIECSA-N 3 1 301.478 2.507 20 0 DFADMP C[C@@H]1C[C@H](NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000122758675 426392242 /nfs/dbraw/zinc/39/22/42/426392242.db2.gz GGOASSOBZMNHJR-VQIMIIECSA-N 3 1 301.478 2.507 20 0 DFADMP C[C@@H]1C[C@H](NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000122758675 426392245 /nfs/dbraw/zinc/39/22/45/426392245.db2.gz GGOASSOBZMNHJR-VQIMIIECSA-N 3 1 301.478 2.507 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123105651 426413940 /nfs/dbraw/zinc/41/39/40/426413940.db2.gz JPBQATXCEQDLFV-PWIZWCRZSA-N 2 1 315.505 2.753 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCN(C)C[C@@H]1C)N1CCc2ccccc2C1 ZINC000123105651 426413945 /nfs/dbraw/zinc/41/39/45/426413945.db2.gz JPBQATXCEQDLFV-PWIZWCRZSA-N 2 1 315.505 2.753 20 0 DFADMP C[C@H]1C[C@@H](N(C)CCc2nc(-c3ccccc3)no2)CC[N@H+]1C ZINC000123410629 426431762 /nfs/dbraw/zinc/43/17/62/426431762.db2.gz WMHDSRUEEYKFTH-HOCLYGCPSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@H]1C[C@@H]([N@H+](C)CCc2nc(-c3ccccc3)no2)CCN1C ZINC000123410629 426431764 /nfs/dbraw/zinc/43/17/64/426431764.db2.gz WMHDSRUEEYKFTH-HOCLYGCPSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@H]1C[C@@H]([N@@H+](C)CCc2nc(-c3ccccc3)no2)CCN1C ZINC000123410629 426431766 /nfs/dbraw/zinc/43/17/66/426431766.db2.gz WMHDSRUEEYKFTH-HOCLYGCPSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cc(N(C)C)nc3ccccc23)CC[N@H+]1C ZINC000154446021 426440129 /nfs/dbraw/zinc/44/01/29/426440129.db2.gz ODDMOTGIXNMWFN-GOEBONIOSA-N 2 1 312.461 2.873 20 0 DFADMP C[C@@]1(CN2CCC[N@@H+](CCCc3ccccc3)CC2)CC[NH2+]C1 ZINC000340708741 269002041 /nfs/dbraw/zinc/00/20/41/269002041.db2.gz KOOQFUUDQAPTJB-HXUWFJFHSA-N 2 1 315.505 2.627 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)Nc2ccc(C)nc2C)C1 ZINC000176715445 426407032 /nfs/dbraw/zinc/40/70/32/426407032.db2.gz ANYPRNJDHWVVGX-HNNXBMFYSA-N 2 1 304.438 2.894 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cc1)C1CC1 ZINC000341329928 269071233 /nfs/dbraw/zinc/07/12/33/269071233.db2.gz UNVMCUVSXHDKQA-OAHLLOKOSA-N 2 1 317.477 2.598 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCNC1CC[NH+](Cc2ccccn2)CC1 ZINC000341442016 269077840 /nfs/dbraw/zinc/07/78/40/269077840.db2.gz QFDTXNBUSZIARC-KRWDZBQOSA-N 2 1 316.493 2.510 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC1CC[NH+](Cc2ccccn2)CC1 ZINC000341442016 269077843 /nfs/dbraw/zinc/07/78/43/269077843.db2.gz QFDTXNBUSZIARC-KRWDZBQOSA-N 2 1 316.493 2.510 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177242537 426459403 /nfs/dbraw/zinc/45/94/03/426459403.db2.gz IOPMYRPJLCSWPU-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1cccc2c1CC[C@H]2[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124348788 426480618 /nfs/dbraw/zinc/48/06/18/426480618.db2.gz WNSWAPOYBKQKQA-HXUWFJFHSA-N 2 1 315.505 2.846 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCCO2 ZINC000124372605 426481338 /nfs/dbraw/zinc/48/13/38/426481338.db2.gz NRIUSKSDUWQELT-CABCVRRESA-N 2 1 316.445 2.983 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1cccnc1Cl ZINC000124388392 426482601 /nfs/dbraw/zinc/48/26/01/426482601.db2.gz BMGLSZVUJCKJAM-CQSZACIVSA-N 2 1 324.900 2.659 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C[C@H]1CC[N@H+](C2CC2)C1 ZINC000124382309 426482830 /nfs/dbraw/zinc/48/28/30/426482830.db2.gz FLLUTKAHYQCTBE-GOEBONIOSA-N 2 1 316.445 2.810 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272548807 426554391 /nfs/dbraw/zinc/55/43/91/426554391.db2.gz DWFYUNMCQXFHIZ-DWRORGKVSA-N 2 1 304.478 2.894 20 0 DFADMP COc1ccccc1[C@H](C[NH2+]C1CC[NH+](C)CC1)OC(C)C ZINC000186377649 426517779 /nfs/dbraw/zinc/51/77/79/426517779.db2.gz XCQUJUQULBMEPJ-SFHVURJKSA-N 2 1 306.450 2.845 20 0 DFADMP C[N@H+]1CCC[C@H]2CN(Cc3cccc(Br)n3)CC[C@@H]21 ZINC000272444609 426525943 /nfs/dbraw/zinc/52/59/43/426525943.db2.gz UOSSYBLVFJTFJW-JSGCOSHPSA-N 2 1 324.266 2.760 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000177955939 426545175 /nfs/dbraw/zinc/54/51/75/426545175.db2.gz PJYPKWUNIGHRPC-RHSMWYFYSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194733476 426491994 /nfs/dbraw/zinc/49/19/94/426491994.db2.gz RWDNFEXAYLIEOW-MRXNPFEDSA-N 2 1 315.461 2.821 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H](Cc3nccn3C)C2)ccc1O ZINC000194989702 426497858 /nfs/dbraw/zinc/49/78/58/426497858.db2.gz MVUWPWBGEZTJNU-AWEZNQCLSA-N 2 1 315.417 2.589 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@H]2CC[N@@H+](C)C2)cc1 ZINC000264148279 426505474 /nfs/dbraw/zinc/50/54/74/426505474.db2.gz HCAVADWFUGVZIE-KRWDZBQOSA-N 2 1 317.477 2.552 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cncc(Br)c1 ZINC000186621182 426565745 /nfs/dbraw/zinc/56/57/45/426565745.db2.gz YZHZQNHOFXSQTC-NSHDSACASA-N 2 1 323.238 2.775 20 0 DFADMP Cc1c([C@H](C)[NH2+]CCC[NH+](C)C)cnn1-c1ccc(F)cc1 ZINC000178115661 426573772 /nfs/dbraw/zinc/57/37/72/426573772.db2.gz TUNQTOJVUCMRQH-ZDUSSCGKSA-N 2 1 304.413 2.922 20 0 DFADMP CC(C)[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000178116225 426574681 /nfs/dbraw/zinc/57/46/81/426574681.db2.gz VSOHGJJLNAYRLO-IBGZPJMESA-N 2 1 304.478 2.690 20 0 DFADMP CCOC(=O)[C@H](c1ccccc1)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178114256 426574758 /nfs/dbraw/zinc/57/47/58/426574758.db2.gz WKYJKVMOUPIFMG-KURKYZTESA-N 2 1 316.445 2.707 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NC1CC[NH+](CC2CCCC2)CC1 ZINC000178158702 426578399 /nfs/dbraw/zinc/57/83/99/426578399.db2.gz NDFCZZNXJQTQEK-GJYPPUQNSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178158702 426578404 /nfs/dbraw/zinc/57/84/04/426578404.db2.gz NDFCZZNXJQTQEK-GJYPPUQNSA-N 3 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000178158702 426578406 /nfs/dbraw/zinc/57/84/06/426578406.db2.gz NDFCZZNXJQTQEK-GJYPPUQNSA-N 3 1 307.526 2.959 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCN1CCC2(C1)Oc1ccccc1O2 ZINC000289140542 426590515 /nfs/dbraw/zinc/59/05/15/426590515.db2.gz YLPAYLXLMZMDDK-HNNXBMFYSA-N 2 1 302.418 2.734 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1C ZINC000273119204 426596813 /nfs/dbraw/zinc/59/68/13/426596813.db2.gz XSVJCIOPYDGQQW-OAHLLOKOSA-N 2 1 306.450 2.501 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cn2cc(C)ccc2n1 ZINC000178322449 426606257 /nfs/dbraw/zinc/60/62/57/426606257.db2.gz PYNFVSKOFWHKPP-KRWDZBQOSA-N 2 1 309.417 2.812 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cn2cc(C)ccc2n1 ZINC000178322449 426606261 /nfs/dbraw/zinc/60/62/61/426606261.db2.gz PYNFVSKOFWHKPP-KRWDZBQOSA-N 2 1 309.417 2.812 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)cc1C ZINC000273172677 426607155 /nfs/dbraw/zinc/60/71/55/426607155.db2.gz MQESXWOPPKNTCH-DLBZAZTESA-N 2 1 320.477 2.809 20 0 DFADMP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)N(C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000226693021 426622081 /nfs/dbraw/zinc/62/20/81/426622081.db2.gz QWKOWGCZFKVRMF-ICUGJSFKSA-N 2 1 323.525 2.589 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2ccc(Br)s2)CC1 ZINC000226316053 426619618 /nfs/dbraw/zinc/61/96/18/426619618.db2.gz PNZJQMZICNWKEM-UHFFFAOYSA-N 2 1 303.269 2.737 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000280631159 426619786 /nfs/dbraw/zinc/61/97/86/426619786.db2.gz YVVMDHKHJSONSE-BGYRXZFFSA-N 2 1 307.441 2.688 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4ccncc4)C[C@H]3C2)cc1 ZINC000280631159 426619789 /nfs/dbraw/zinc/61/97/89/426619789.db2.gz YVVMDHKHJSONSE-BGYRXZFFSA-N 2 1 307.441 2.688 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000178477942 426636459 /nfs/dbraw/zinc/63/64/59/426636459.db2.gz HJLJIAXDPDAXIR-WMLDXEAASA-N 2 1 303.450 2.853 20 0 DFADMP Cc1cccnc1OC1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000289367121 426639132 /nfs/dbraw/zinc/63/91/32/426639132.db2.gz JOGQPTFCSOTGHV-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1cccnc1OC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000289367121 426639137 /nfs/dbraw/zinc/63/91/37/426639137.db2.gz JOGQPTFCSOTGHV-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP CCC[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccc(OC)cc1 ZINC000178520699 426645249 /nfs/dbraw/zinc/64/52/49/426645249.db2.gz KRLSSPYKOVTNMU-IBGZPJMESA-N 2 1 320.477 2.973 20 0 DFADMP CCCOc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)cc1 ZINC000178522976 426647213 /nfs/dbraw/zinc/64/72/13/426647213.db2.gz PLDXUJUAVAMHSD-MRXNPFEDSA-N 2 1 320.477 2.973 20 0 DFADMP CC1(C)C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)c2ccccc21 ZINC000178522127 426647414 /nfs/dbraw/zinc/64/74/14/426647414.db2.gz IGJULLBPKGOLAR-SFHVURJKSA-N 2 1 302.462 2.845 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc4occc4c3)C2)CC1 ZINC000289436405 426656589 /nfs/dbraw/zinc/65/65/89/426656589.db2.gz WDDITAKKEAWPQP-GOSISDBHSA-N 2 1 313.445 2.645 20 0 DFADMP CCSc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289463286 426663395 /nfs/dbraw/zinc/66/33/95/426663395.db2.gz OQRDYLQCLCOMCO-UHFFFAOYSA-N 2 1 321.534 2.868 20 0 DFADMP c1ccc2c(c1)C[C@H]1C[N@@H+](CCC[NH+]3CCCCC3)CCCN21 ZINC000289586706 426668774 /nfs/dbraw/zinc/66/87/74/426668774.db2.gz WVIXTIGGLREUKA-IBGZPJMESA-N 2 1 313.489 2.999 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000236655937 426671276 /nfs/dbraw/zinc/67/12/76/426671276.db2.gz CGIOLFUFIFMQAR-IBGZPJMESA-N 2 1 317.477 2.533 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000236684489 426674817 /nfs/dbraw/zinc/67/48/17/426674817.db2.gz CDBHGTUGIYLKTD-UHFFFAOYSA-N 2 1 319.493 2.908 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)CCC2CC[NH2+]CC2)CC1 ZINC000236708553 426679531 /nfs/dbraw/zinc/67/95/31/426679531.db2.gz FEACQJLVEZLBAJ-UHFFFAOYSA-N 2 1 323.525 2.737 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236763787 426683853 /nfs/dbraw/zinc/68/38/53/426683853.db2.gz VBGZLLWFJHBSHL-QAPCUYQASA-N 2 1 317.477 2.518 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3CC)c2C1 ZINC000290062952 426684216 /nfs/dbraw/zinc/68/42/16/426684216.db2.gz UTQAFGZUPHXFFZ-GDBMZVCRSA-N 2 1 301.434 2.739 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CC[NH2+][C@@H]3CC)c2C1 ZINC000290062952 426684218 /nfs/dbraw/zinc/68/42/18/426684218.db2.gz UTQAFGZUPHXFFZ-GDBMZVCRSA-N 2 1 301.434 2.739 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236767706 426685084 /nfs/dbraw/zinc/68/50/84/426685084.db2.gz ZFFZQPYGPMZDFI-YJBOKZPZSA-N 2 1 317.477 2.518 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)C1CC1 ZINC000289323549 426627747 /nfs/dbraw/zinc/62/77/47/426627747.db2.gz GMMZDTXULLWIMI-MSOLQXFVSA-N 2 1 306.425 2.712 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1)C1CC1 ZINC000289323549 426627749 /nfs/dbraw/zinc/62/77/49/426627749.db2.gz GMMZDTXULLWIMI-MSOLQXFVSA-N 2 1 306.425 2.712 20 0 DFADMP C[C@H](C1CC1)[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290083997 426690340 /nfs/dbraw/zinc/69/03/40/426690340.db2.gz VHEXCXZCJHXCHM-DNVCBOLYSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H](C1CC1)[N@H+](Cc1ccccc1)C[C@H](O)C[NH+](C)C1CC1 ZINC000290083997 426690343 /nfs/dbraw/zinc/69/03/43/426690343.db2.gz VHEXCXZCJHXCHM-DNVCBOLYSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H](C1CC1)[NH+](Cc1ccccc1)C[C@H](O)C[N@H+](C)C1CC1 ZINC000290083997 426690348 /nfs/dbraw/zinc/69/03/48/426690348.db2.gz VHEXCXZCJHXCHM-DNVCBOLYSA-N 2 1 302.462 2.742 20 0 DFADMP C[C@H](C1CC1)[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290083997 426690351 /nfs/dbraw/zinc/69/03/51/426690351.db2.gz VHEXCXZCJHXCHM-DNVCBOLYSA-N 2 1 302.462 2.742 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@H]2CCC[NH2+]2)cc1 ZINC000178846025 426707775 /nfs/dbraw/zinc/70/77/75/426707775.db2.gz QBHAETJWEXFUNR-CZUORRHYSA-N 2 1 312.417 2.500 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000237860272 426696362 /nfs/dbraw/zinc/69/63/62/426696362.db2.gz RWDLGZZBMOIWAR-QZTJIDSGSA-N 2 1 321.509 2.619 20 0 DFADMP [NH3+][C@@H]1CCC[C@H](C(=O)N2CCC[N@@H+](CC3CCCCC3)CC2)C1 ZINC000237890645 426697742 /nfs/dbraw/zinc/69/77/42/426697742.db2.gz RWDLGZZBMOIWAR-ZWKOTPCHSA-N 2 1 321.509 2.619 20 0 DFADMP c1cn(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245737303 426767010 /nfs/dbraw/zinc/76/70/10/426767010.db2.gz QZNVZVAGKPDTTM-REPLKXPHSA-N 2 1 310.445 2.668 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCCOC2)C3)cc1 ZINC000245731100 426768202 /nfs/dbraw/zinc/76/82/02/426768202.db2.gz QEIXJLQUGJNOCV-AKHDSKFASA-N 2 1 300.446 2.951 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+][C@H]2CCCOC2)C3)cc1 ZINC000245731102 426768554 /nfs/dbraw/zinc/76/85/54/426768554.db2.gz QEIXJLQUGJNOCV-CADBVGFASA-N 2 1 300.446 2.951 20 0 DFADMP Clc1ncccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000266766378 426774617 /nfs/dbraw/zinc/77/46/17/426774617.db2.gz URCWZHDYGZBHKG-UHFFFAOYSA-N 2 1 323.868 2.812 20 0 DFADMP CCN(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](C(C)C)C1)c1ccccc1 ZINC000274525198 426786606 /nfs/dbraw/zinc/78/66/06/426786606.db2.gz SVRZRTSTHSPHQW-QZTJIDSGSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000274525198 426786613 /nfs/dbraw/zinc/78/66/13/426786613.db2.gz SVRZRTSTHSPHQW-QZTJIDSGSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](C(C)C)C1)c1ccccc1 ZINC000274525198 426786623 /nfs/dbraw/zinc/78/66/23/426786623.db2.gz SVRZRTSTHSPHQW-QZTJIDSGSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1)c1ccccc1 ZINC000274525198 426786628 /nfs/dbraw/zinc/78/66/28/426786628.db2.gz SVRZRTSTHSPHQW-QZTJIDSGSA-N 2 1 317.477 2.668 20 0 DFADMP C[N@H+](CCCn1ccnc1)Cc1cc(O)ccc1Br ZINC000290310110 426738405 /nfs/dbraw/zinc/73/84/05/426738405.db2.gz CBEYDVUWSRYNLP-UHFFFAOYSA-N 2 1 324.222 2.873 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1cc(O)ccc1Br ZINC000290310110 426738410 /nfs/dbraw/zinc/73/84/10/426738410.db2.gz CBEYDVUWSRYNLP-UHFFFAOYSA-N 2 1 324.222 2.873 20 0 DFADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000290342342 426745397 /nfs/dbraw/zinc/74/53/97/426745397.db2.gz FMJVLXWSYNAMOI-UHFFFAOYSA-N 2 1 313.449 2.709 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N2CCCC2)nc1 ZINC000290342342 426745407 /nfs/dbraw/zinc/74/54/07/426745407.db2.gz FMJVLXWSYNAMOI-UHFFFAOYSA-N 2 1 313.449 2.709 20 0 DFADMP COC(=O)[C@H](C)[C@H]([NH2+]CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC000245557259 426750190 /nfs/dbraw/zinc/75/01/90/426750190.db2.gz ATPYJZWVTFHFDL-OIISXLGYSA-N 2 1 304.434 2.611 20 0 DFADMP COC(=O)[C@H](C)[C@H]([NH2+]CC[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC000245557259 426750194 /nfs/dbraw/zinc/75/01/94/426750194.db2.gz ATPYJZWVTFHFDL-OIISXLGYSA-N 2 1 304.434 2.611 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000245694086 426763708 /nfs/dbraw/zinc/76/37/08/426763708.db2.gz QOWDXHAJBSSJQC-WBVHZDCISA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)[C@H]1CCCC[C@H]1C ZINC000245694086 426763713 /nfs/dbraw/zinc/76/37/13/426763713.db2.gz QOWDXHAJBSSJQC-WBVHZDCISA-N 2 1 320.481 2.551 20 0 DFADMP Cc1ccncc1CCC[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000290438651 426765176 /nfs/dbraw/zinc/76/51/76/426765176.db2.gz SBAYHSKHVIZAHR-UHFFFAOYSA-N 2 1 319.493 2.802 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000179512782 426798279 /nfs/dbraw/zinc/79/82/79/426798279.db2.gz IHCPVTUGHGWYPW-OWCLPIDISA-N 2 1 306.450 2.782 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1ccncc1 ZINC000246276270 426815801 /nfs/dbraw/zinc/81/58/01/426815801.db2.gz BCQMAWOLGGFCJC-JCGIZDLHSA-N 2 1 303.450 2.500 20 0 DFADMP CCC(C)(C)[N@@H+](C)CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000274689707 426817931 /nfs/dbraw/zinc/81/79/31/426817931.db2.gz ZSBGNDSZSBMPFV-MRXNPFEDSA-N 2 1 305.466 2.526 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3c2cnn3C)C1 ZINC000246303515 426819414 /nfs/dbraw/zinc/81/94/14/426819414.db2.gz DGCWDIYOAZSEMM-WBVHZDCISA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1C[N@@H+](CC2CC[NH+](Cc3ccc(F)nc3)CC2)C[C@H](C)O1 ZINC000189309260 426837123 /nfs/dbraw/zinc/83/71/23/426837123.db2.gz YVHDQXOVTHBMTH-GASCZTMLSA-N 2 1 321.440 2.542 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](Cc3ccc(F)nc3)CC2)C[C@H](C)O1 ZINC000189309260 426837127 /nfs/dbraw/zinc/83/71/27/426837127.db2.gz YVHDQXOVTHBMTH-GASCZTMLSA-N 2 1 321.440 2.542 20 0 DFADMP COC(C)(C)C[NH2+][C@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180170676 426840972 /nfs/dbraw/zinc/84/09/72/426840972.db2.gz VBDSXHNZKJDUCY-SQNIBIBYSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1ccccc1C[N@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000282193568 426847975 /nfs/dbraw/zinc/84/79/75/426847975.db2.gz BQQRUDRTPGXQQS-UHFFFAOYSA-N 2 1 303.494 2.843 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(Cl)c(C)c3)C2)CC1 ZINC000180430088 426858507 /nfs/dbraw/zinc/85/85/07/426858507.db2.gz JWDWGQQEYJTBLB-QGZVFWFLSA-N 2 1 321.896 2.860 20 0 DFADMP CC(C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282194029 426851124 /nfs/dbraw/zinc/85/11/24/426851124.db2.gz GKIVFIOLYBPWLU-SFHVURJKSA-N 2 1 303.494 2.999 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C2CC(c3ccccc3)C2)CC1(C)C ZINC000282203404 426851967 /nfs/dbraw/zinc/85/19/67/426851967.db2.gz GWJQFJSEJUUONS-UHFFFAOYSA-N 2 1 301.478 2.548 20 0 DFADMP Cc1c(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)cnn1C ZINC000290568411 426795713 /nfs/dbraw/zinc/79/57/13/426795713.db2.gz SWOWELOEPSLXQC-UHFFFAOYSA-N 2 1 312.461 2.825 20 0 DFADMP Cc1c(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cnn1C ZINC000290568411 426795717 /nfs/dbraw/zinc/79/57/17/426795717.db2.gz SWOWELOEPSLXQC-UHFFFAOYSA-N 2 1 312.461 2.825 20 0 DFADMP C[C@@H](CCc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282236212 426860498 /nfs/dbraw/zinc/86/04/98/426860498.db2.gz IUSXJDPWEQMXGP-KRWDZBQOSA-N 2 1 303.494 2.623 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000180515342 426866592 /nfs/dbraw/zinc/86/65/92/426866592.db2.gz OPDUZRMXADZZNK-KFWWJZLASA-N 2 1 313.486 2.610 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2nccn21 ZINC000295224060 426869403 /nfs/dbraw/zinc/86/94/03/426869403.db2.gz NALJCGOBQPQYHD-RHSMWYFYSA-N 2 1 314.433 2.619 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC(C)(C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246827566 426869768 /nfs/dbraw/zinc/86/97/68/426869768.db2.gz AYHHDINUKGWZQJ-UONOGXRCSA-N 2 1 313.486 2.610 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccccc3OC)C2)[C@H](C)C1 ZINC000246870379 426875856 /nfs/dbraw/zinc/87/58/56/426875856.db2.gz CZBAVRJXOMXGON-IKGGRYGDSA-N 2 1 317.477 2.594 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000291259318 426881250 /nfs/dbraw/zinc/88/12/50/426881250.db2.gz WTOGZQUNQYNMEQ-AABGKKOBSA-N 2 1 313.489 2.644 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+]([C@H]2C[C@H]2c2ccccc2)CC1 ZINC000291259318 426881255 /nfs/dbraw/zinc/88/12/55/426881255.db2.gz WTOGZQUNQYNMEQ-AABGKKOBSA-N 2 1 313.489 2.644 20 0 DFADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCCO2 ZINC000305115104 426882299 /nfs/dbraw/zinc/88/22/99/426882299.db2.gz HRFZKUWAEARESC-WMZOPIPTSA-N 2 1 318.461 2.563 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)CCC2 ZINC000305135983 426884164 /nfs/dbraw/zinc/88/41/64/426884164.db2.gz ONAUVGSBULDPDG-CABCVRRESA-N 2 1 323.506 2.655 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H](C)c2ccc(F)cc2)CC1 ZINC000275641556 426886247 /nfs/dbraw/zinc/88/62/47/426886247.db2.gz AOUAAPPYRFKXNU-JKSUJKDBSA-N 2 1 322.468 2.954 20 0 DFADMP C[C@@H](C[NH+]1CCC([N@H+](C)CCCO)CC1)c1ccc(F)cc1 ZINC000275648008 426886424 /nfs/dbraw/zinc/88/64/24/426886424.db2.gz BPPDLUGAJOMRON-HNNXBMFYSA-N 2 1 308.441 2.708 20 0 DFADMP C[C@@H](C[NH+]1CCC([N@@H+](C)CCCO)CC1)c1ccc(F)cc1 ZINC000275648008 426886431 /nfs/dbraw/zinc/88/64/31/426886431.db2.gz BPPDLUGAJOMRON-HNNXBMFYSA-N 2 1 308.441 2.708 20 0 DFADMP c1ncc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)[nH]1 ZINC000291463069 426888723 /nfs/dbraw/zinc/88/87/23/426888723.db2.gz NVTJMJTVEVBNMH-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP c1nc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC000291463069 426888730 /nfs/dbraw/zinc/88/87/30/426888730.db2.gz NVTJMJTVEVBNMH-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP c1nc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c[nH]1 ZINC000291463069 426888736 /nfs/dbraw/zinc/88/87/36/426888736.db2.gz NVTJMJTVEVBNMH-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCN2c3ccccc3C[C@H]2C)[C@@H](C)C1 ZINC000246992902 426889063 /nfs/dbraw/zinc/88/90/63/426889063.db2.gz KWGNQSMKHMVUNA-JZXOWHBKSA-N 2 1 301.478 2.758 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+](C)C)c1ccc2cc(OC)ccc2c1 ZINC000305170323 426892673 /nfs/dbraw/zinc/89/26/73/426892673.db2.gz ZPQJRNDLXNUKBL-HKUYNNGSSA-N 2 1 316.445 2.812 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282363319 426892868 /nfs/dbraw/zinc/89/28/68/426892868.db2.gz NKFSVAJZIPHAIO-UHFFFAOYSA-N 2 1 319.493 2.589 20 0 DFADMP C[C@H]1C[C@@H](NCc2ccc(OC(C)(C)C)nc2)C[N@@H+]1C1CC1 ZINC000180891172 426897597 /nfs/dbraw/zinc/89/75/97/426897597.db2.gz RPTZUZDYKVERAP-DZGCQCFKSA-N 2 1 303.450 2.974 20 0 DFADMP C[C@H]1C[C@@H](NCc2ccc(OC(C)(C)C)nc2)C[N@H+]1C1CC1 ZINC000180891172 426897604 /nfs/dbraw/zinc/89/76/04/426897604.db2.gz RPTZUZDYKVERAP-DZGCQCFKSA-N 2 1 303.450 2.974 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCc2nc(-c3cccs3)no2)CC[C@H]1[NH3+] ZINC000316909264 426952425 /nfs/dbraw/zinc/95/24/25/426952425.db2.gz VHBCBNNTYYNLLS-CHWSQXEVSA-N 2 1 320.462 2.790 20 0 DFADMP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)ccc1OC(F)F ZINC000291692449 426954437 /nfs/dbraw/zinc/95/44/37/426954437.db2.gz JCUHOXUMOSYRON-NSHDSACASA-N 2 1 302.365 2.584 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C)O[C@H](C)C2 ZINC000317141040 426955106 /nfs/dbraw/zinc/95/51/06/426955106.db2.gz KBUXVUDXZBNOHN-CJNGLKHVSA-N 2 1 306.450 2.824 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C)O[C@H](C)C2 ZINC000317141040 426955109 /nfs/dbraw/zinc/95/51/09/426955109.db2.gz KBUXVUDXZBNOHN-CJNGLKHVSA-N 2 1 306.450 2.824 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000319321630 426960488 /nfs/dbraw/zinc/96/04/88/426960488.db2.gz ZSLQIGGOGJAIGZ-SWLSCSKDSA-N 2 1 324.852 2.931 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000319321630 426960495 /nfs/dbraw/zinc/96/04/95/426960495.db2.gz ZSLQIGGOGJAIGZ-SWLSCSKDSA-N 2 1 324.852 2.931 20 0 DFADMP CC[C@H](O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000247961273 426968575 /nfs/dbraw/zinc/96/85/75/426968575.db2.gz GGAICTPKPXLIFT-GBESFXJTSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000247961273 426968579 /nfs/dbraw/zinc/96/85/79/426968579.db2.gz GGAICTPKPXLIFT-GBESFXJTSA-N 2 1 302.462 2.744 20 0 DFADMP CC[C@H](O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000247961273 426968585 /nfs/dbraw/zinc/96/85/85/426968585.db2.gz GGAICTPKPXLIFT-GBESFXJTSA-N 2 1 302.462 2.744 20 0 DFADMP Cc1cc2ncn(C[C@@H](O)C[N@H+]3C[C@@H]4CCC[C@@H]4C3)c2cc1C ZINC000268268782 426972447 /nfs/dbraw/zinc/97/24/47/426972447.db2.gz GUMDCTYANJIURR-BBWFWOEESA-N 2 1 313.445 2.746 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nccn1Cc1ccccc1 ZINC000337953246 427055923 /nfs/dbraw/zinc/05/59/23/427055923.db2.gz XEFVDKWNXQKDIM-UHFFFAOYSA-N 2 1 309.417 2.616 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[N@@H+]1C ZINC000337839152 426995792 /nfs/dbraw/zinc/99/57/92/426995792.db2.gz YPRBVLPAGIHNOQ-GXTWGEPZSA-N 2 1 304.463 2.721 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC[N@H+]1C ZINC000337839152 426995802 /nfs/dbraw/zinc/99/58/02/426995802.db2.gz YPRBVLPAGIHNOQ-GXTWGEPZSA-N 2 1 304.463 2.721 20 0 DFADMP C[C@@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)CC[C@@H]1O ZINC000190056689 427010550 /nfs/dbraw/zinc/01/05/50/427010550.db2.gz VXMSVTMMXLLFKO-AEFFLSMTSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248590519 427019826 /nfs/dbraw/zinc/01/98/26/427019826.db2.gz ZFGNFAVPTREZIK-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@]2(CC)CCC[NH2+]2)C1 ZINC000248755853 427039455 /nfs/dbraw/zinc/03/94/55/427039455.db2.gz VDCYCJBNDJONGZ-CRAIPNDOSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@H](c1cn(-c2ccccc2)nn1)[N@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000268542357 427049066 /nfs/dbraw/zinc/04/90/66/427049066.db2.gz LGIJGYMEPVTOKC-HUUCEWRRSA-N 2 1 322.416 2.931 20 0 DFADMP C[C@H](c1cn(-c2ccccc2)nn1)N1CCC[C@@H](c2ncc[nH]2)C1 ZINC000268542357 427049073 /nfs/dbraw/zinc/04/90/73/427049073.db2.gz LGIJGYMEPVTOKC-HUUCEWRRSA-N 2 1 322.416 2.931 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@H](CNc2ccccn2)C1 ZINC000268545126 427049640 /nfs/dbraw/zinc/04/96/40/427049640.db2.gz LYQOLZHNHOIXEJ-SJORKVTESA-N 2 1 302.466 2.690 20 0 DFADMP CN1CCCC[C@H]1CC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000268545126 427049658 /nfs/dbraw/zinc/04/96/58/427049658.db2.gz LYQOLZHNHOIXEJ-SJORKVTESA-N 3 1 302.466 2.690 20 0 DFADMP CN1CCCC[C@H]1CC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000268545126 427049663 /nfs/dbraw/zinc/04/96/63/427049663.db2.gz LYQOLZHNHOIXEJ-SJORKVTESA-N 3 1 302.466 2.690 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H]2CCC[C@H]2CCCF)CC1 ZINC000337989183 427076165 /nfs/dbraw/zinc/07/61/65/427076165.db2.gz LGQCLGGZLPKILB-ZWKOTPCHSA-N 2 1 313.505 2.912 20 0 DFADMP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000337990306 427078353 /nfs/dbraw/zinc/07/83/53/427078353.db2.gz AYLCCTYDHSWDRD-DOMZBBRYSA-N 2 1 318.383 2.539 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H](C)[C@H](C)[NH3+])c1 ZINC000249094778 427085386 /nfs/dbraw/zinc/08/53/86/427085386.db2.gz TXVWVDRALUEXFB-CVEARBPZSA-N 2 1 319.493 2.908 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000292108466 427092346 /nfs/dbraw/zinc/09/23/46/427092346.db2.gz ISXJJOBHMFYOQT-QGZVFWFLSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000292108466 427092351 /nfs/dbraw/zinc/09/23/51/427092351.db2.gz ISXJJOBHMFYOQT-QGZVFWFLSA-N 2 1 321.852 2.696 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C2)C1 ZINC000292108466 427092356 /nfs/dbraw/zinc/09/23/56/427092356.db2.gz ISXJJOBHMFYOQT-QGZVFWFLSA-N 2 1 321.852 2.696 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(COC)c2)CC1 ZINC000268718059 427099827 /nfs/dbraw/zinc/09/98/27/427099827.db2.gz JSTTVPKYFFAWEJ-AWEZNQCLSA-N 2 1 306.450 2.977 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000182567605 427101892 /nfs/dbraw/zinc/10/18/92/427101892.db2.gz MMXPSPAANYMBSM-WMZOPIPTSA-N 2 1 306.425 2.640 20 0 DFADMP CCn1ccnc1[C@H]1OCCC[C@@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000190434627 427104792 /nfs/dbraw/zinc/10/47/92/427104792.db2.gz XPUARILOQQGMLM-IRXDYDNUSA-N 2 1 320.481 2.586 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3cscn3)C2)[nH+]1 ZINC000283981423 427112226 /nfs/dbraw/zinc/11/22/26/427112226.db2.gz MJEVBZYXSGQNNG-CQSZACIVSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3cscn3)C2)[nH+]1 ZINC000283981423 427112234 /nfs/dbraw/zinc/11/22/34/427112234.db2.gz MJEVBZYXSGQNNG-CQSZACIVSA-N 2 1 302.447 2.823 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000268777639 427112376 /nfs/dbraw/zinc/11/23/76/427112376.db2.gz SDWDGHDVXPLDFU-OAHLLOKOSA-N 2 1 301.438 2.648 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000268802786 427122619 /nfs/dbraw/zinc/12/26/19/427122619.db2.gz HXFRMGPBLKINQV-HZPDHXFCSA-N 2 1 317.477 2.533 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CC[NH2+]C3)cc2)C1 ZINC000249527879 427124893 /nfs/dbraw/zinc/12/48/93/427124893.db2.gz AJELEGTZSPGQFX-DOTOQJQBSA-N 2 1 315.461 2.857 20 0 DFADMP CC[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nccn1C ZINC000182683789 427124879 /nfs/dbraw/zinc/12/48/79/427124879.db2.gz DTXBPKMYHCGHHY-INIZCTEOSA-N 2 1 316.449 2.601 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000292208771 427131668 /nfs/dbraw/zinc/13/16/68/427131668.db2.gz TUWFZEQUNGZUIS-RDTXWAMCSA-N 2 1 312.417 2.825 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)Cc2cccc(Cl)c2)CC1 ZINC000268825855 427132104 /nfs/dbraw/zinc/13/21/04/427132104.db2.gz NIHBILBAFSMLIC-CQSZACIVSA-N 2 1 310.869 2.971 20 0 DFADMP C(C[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1)C[NH+]1CCCCC1 ZINC000162113827 271081466 /nfs/dbraw/zinc/08/14/66/271081466.db2.gz AEXMUNUFIGGSGJ-SJORKVTESA-N 2 1 312.523 2.849 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[N@@H+]1CCc2ccccc2C1 ZINC000237143627 271245029 /nfs/dbraw/zinc/24/50/29/271245029.db2.gz FYSHZCZAFAOBCD-OAHLLOKOSA-N 2 1 323.440 2.791 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[N@H+]1CCc2ccccc2C1 ZINC000237143627 271245032 /nfs/dbraw/zinc/24/50/32/271245032.db2.gz FYSHZCZAFAOBCD-OAHLLOKOSA-N 2 1 323.440 2.791 20 0 DFADMP C[C@](O)(C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)c1ccco1 ZINC000266137174 271283696 /nfs/dbraw/zinc/28/36/96/271283696.db2.gz FUSSOBSZKFFIIC-IBGZPJMESA-N 2 1 314.429 2.741 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1nc2ccc(Cl)cc2n1C ZINC000270601232 271317086 /nfs/dbraw/zinc/31/70/86/271317086.db2.gz FSYSPQOCQWVQBG-UHFFFAOYSA-N 2 1 317.824 2.912 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000278600724 271319444 /nfs/dbraw/zinc/31/94/44/271319444.db2.gz IUSVCOBIMPRFTP-IAGOWNOFSA-N 2 1 305.491 2.588 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](C[C@H]2CCSC2)C1 ZINC000278600724 271319449 /nfs/dbraw/zinc/31/94/49/271319449.db2.gz IUSVCOBIMPRFTP-IAGOWNOFSA-N 2 1 305.491 2.588 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](C[C@H]2CCSC2)C1 ZINC000278600724 271319452 /nfs/dbraw/zinc/31/94/52/271319452.db2.gz IUSVCOBIMPRFTP-IAGOWNOFSA-N 2 1 305.491 2.588 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](C[C@H]2CCSC2)C1 ZINC000278600724 271319455 /nfs/dbraw/zinc/31/94/55/271319455.db2.gz IUSVCOBIMPRFTP-IAGOWNOFSA-N 2 1 305.491 2.588 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)CC[C@@H]2C)cc1 ZINC000338174829 427171162 /nfs/dbraw/zinc/17/11/62/427171162.db2.gz LERIVKATDKTZPT-INIZCTEOSA-N 2 1 317.477 2.695 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCc2ccccc2Cl)CC1 ZINC000303323374 271365040 /nfs/dbraw/zinc/36/50/40/271365040.db2.gz MKNBPIRSJMTBGK-HNNXBMFYSA-N 2 1 324.896 2.907 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)no1 ZINC000333639031 271381842 /nfs/dbraw/zinc/38/18/42/271381842.db2.gz HVWBWCNWFZXPLD-HUUCEWRRSA-N 2 1 306.454 2.762 20 0 DFADMP Cn1ncc2c1CCC[C@H]2[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000333810953 271391572 /nfs/dbraw/zinc/39/15/72/271391572.db2.gz JHRIFOXTFSUREL-ABRWGSHYSA-N 2 1 314.477 2.541 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCn2ccnc2)C1 ZINC000183178771 427217031 /nfs/dbraw/zinc/21/70/31/427217031.db2.gz HDJXZCYHHVSADQ-ZWKOTPCHSA-N 2 1 304.482 2.860 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCn2ccnc2)C1 ZINC000183178771 427217037 /nfs/dbraw/zinc/21/70/37/427217037.db2.gz HDJXZCYHHVSADQ-ZWKOTPCHSA-N 2 1 304.482 2.860 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCn2ccnc2)C1 ZINC000183178771 427217042 /nfs/dbraw/zinc/21/70/42/427217042.db2.gz HDJXZCYHHVSADQ-ZWKOTPCHSA-N 2 1 304.482 2.860 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]Cc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000338196216 427185172 /nfs/dbraw/zinc/18/51/72/427185172.db2.gz NIBNKRDOLYRWHK-WMZOPIPTSA-N 2 1 312.461 2.810 20 0 DFADMP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(C)c2)C[N@H+]1Cc1ccccc1 ZINC000338201053 427188640 /nfs/dbraw/zinc/18/86/40/427188640.db2.gz YFASCWTWAFDBIR-AEFFLSMTSA-N 2 1 312.461 2.810 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@@H+]3CCO[C@H](C)C3)c2)[C@H](C)O1 ZINC000296485973 427194232 /nfs/dbraw/zinc/19/42/32/427194232.db2.gz QHYJSINOYQESOT-OAFZBRQQSA-N 2 1 318.461 2.563 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+]3CCO[C@H](C)C3)c2)[C@H](C)O1 ZINC000296485973 427194242 /nfs/dbraw/zinc/19/42/42/427194242.db2.gz QHYJSINOYQESOT-OAFZBRQQSA-N 2 1 318.461 2.563 20 0 DFADMP O[C@@H](CC1CCCC1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000190916510 427203570 /nfs/dbraw/zinc/20/35/70/427203570.db2.gz YFYOXKMJNLLNLJ-NZSAHSFTSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](CC1CCCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000190916510 427203576 /nfs/dbraw/zinc/20/35/76/427203576.db2.gz YFYOXKMJNLLNLJ-NZSAHSFTSA-N 2 1 306.494 2.876 20 0 DFADMP O[C@@H](CC1CCCC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000190916510 427203580 /nfs/dbraw/zinc/20/35/80/427203580.db2.gz YFYOXKMJNLLNLJ-NZSAHSFTSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@@H](CO)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183132058 427207468 /nfs/dbraw/zinc/20/74/68/427207468.db2.gz GGAVIIJAEMBEMR-XGXHKWSGSA-N 2 1 302.462 2.505 20 0 DFADMP CCOCC[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183130073 427207491 /nfs/dbraw/zinc/20/74/91/427207491.db2.gz AOALRBVAGMHLFR-QYZOEREBSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H](O)CC[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183142284 427211120 /nfs/dbraw/zinc/21/11/20/427211120.db2.gz SJVOZGCFDJLRJE-BVBHFADKSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1ccc2c(C)cc(N3CC[C@@H]4OCC[N@H+](C)[C@@H]4C3)nc2c1 ZINC000285261654 427212173 /nfs/dbraw/zinc/21/21/73/427212173.db2.gz ZQWDXPBWVFLDCJ-MSOLQXFVSA-N 2 1 311.429 2.761 20 0 DFADMP Cc1ccc2c(C)cc(N3CC[C@@H]4OCCN(C)[C@@H]4C3)nc2c1 ZINC000285261654 427212179 /nfs/dbraw/zinc/21/21/79/427212179.db2.gz ZQWDXPBWVFLDCJ-MSOLQXFVSA-N 2 1 311.429 2.761 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cn1 ZINC000190956649 427212413 /nfs/dbraw/zinc/21/24/13/427212413.db2.gz XJWZBGRBKCIOSV-KRWDZBQOSA-N 2 1 304.482 2.748 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)cn1 ZINC000190956649 427212419 /nfs/dbraw/zinc/21/24/19/427212419.db2.gz XJWZBGRBKCIOSV-KRWDZBQOSA-N 2 1 304.482 2.748 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(N(C)C(C)C)nc1 ZINC000190953583 427213313 /nfs/dbraw/zinc/21/33/13/427213313.db2.gz KNRMUODCUGPDAY-OAHLLOKOSA-N 2 1 315.465 2.857 20 0 DFADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379666 427215464 /nfs/dbraw/zinc/21/54/64/427215464.db2.gz CRUHIWNZISUUAN-DFNIBXOVSA-N 2 1 310.445 2.929 20 0 DFADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285379666 427215470 /nfs/dbraw/zinc/21/54/70/427215470.db2.gz CRUHIWNZISUUAN-DFNIBXOVSA-N 2 1 310.445 2.929 20 0 DFADMP C[NH+](Cc1ccc(-n2ccnc2)cc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285379666 427215475 /nfs/dbraw/zinc/21/54/75/427215475.db2.gz CRUHIWNZISUUAN-DFNIBXOVSA-N 2 1 310.445 2.929 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000183192655 427220516 /nfs/dbraw/zinc/22/05/16/427220516.db2.gz NHPLMEHOGVAICF-GVDBMIGSSA-N 2 1 323.525 2.876 20 0 DFADMP CC[NH+](CC)CCCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000338265384 427224236 /nfs/dbraw/zinc/22/42/36/427224236.db2.gz VXUIOJKNAXVIDU-UHFFFAOYSA-N 2 1 303.494 2.926 20 0 DFADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)Cc1ccccc1 ZINC000277546818 427238123 /nfs/dbraw/zinc/23/81/23/427238123.db2.gz QSCJSYKPFPFZGG-ROUUACIJSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)c1ccc(Br)nc1)C[NH+](C)C ZINC000293221328 427253572 /nfs/dbraw/zinc/25/35/72/427253572.db2.gz AMYIJHRPVCNYLI-MNOVXSKESA-N 2 1 300.244 2.692 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000277597400 427256026 /nfs/dbraw/zinc/25/60/26/427256026.db2.gz POMGZDYFDWBSIM-MAUKXSAKSA-N 2 1 317.477 2.646 20 0 DFADMP CCOC(=O)CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285655057 427301111 /nfs/dbraw/zinc/30/11/11/427301111.db2.gz SPPWMKBOUGSABW-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP CCOC(=O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285655057 427301115 /nfs/dbraw/zinc/30/11/15/427301115.db2.gz SPPWMKBOUGSABW-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP CCOC(=O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285655057 427301121 /nfs/dbraw/zinc/30/11/21/427301121.db2.gz SPPWMKBOUGSABW-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP CCOC(=O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285655057 427301125 /nfs/dbraw/zinc/30/11/25/427301125.db2.gz SPPWMKBOUGSABW-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(OC)c(OC)c1C ZINC000285676685 427306796 /nfs/dbraw/zinc/30/67/96/427306796.db2.gz NQYUUWFCWQFHBJ-OAHLLOKOSA-N 2 1 324.465 2.631 20 0 DFADMP COC(=O)CCC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183678075 427316462 /nfs/dbraw/zinc/31/64/62/427316462.db2.gz NFTMEKXAQVRQJS-CYBMUJFWSA-N 2 1 301.390 2.785 20 0 DFADMP CCOC(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183685182 427318873 /nfs/dbraw/zinc/31/88/73/427318873.db2.gz AZJBVKSVMCYNJK-ZDUSSCGKSA-N 2 1 301.390 2.785 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@@H](O)C2CCCCC2)CC1 ZINC000191340155 427325541 /nfs/dbraw/zinc/32/55/41/427325541.db2.gz IFQNTGOGGURTMP-QGZVFWFLSA-N 2 1 305.466 2.616 20 0 DFADMP C[C@H]1CCN(C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261722166 427339691 /nfs/dbraw/zinc/33/96/91/427339691.db2.gz GBEPZGAFMYCOBV-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP CCN(C)c1ccc(CN(C)[C@@H]2CC[N@@H+](CC)C[C@H]2C)cn1 ZINC000191397030 427341639 /nfs/dbraw/zinc/34/16/39/427341639.db2.gz QICOXXFDTMHWBX-NVXWUHKLSA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cn1 ZINC000191397030 427341644 /nfs/dbraw/zinc/34/16/44/427341644.db2.gz QICOXXFDTMHWBX-NVXWUHKLSA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cn1 ZINC000191397030 427341648 /nfs/dbraw/zinc/34/16/48/427341648.db2.gz QICOXXFDTMHWBX-NVXWUHKLSA-N 2 1 304.482 2.700 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293497092 427344034 /nfs/dbraw/zinc/34/40/34/427344034.db2.gz SHCOIXBWARLHRJ-INIZCTEOSA-N 2 1 317.477 2.915 20 0 DFADMP C[C@H](CCCC[NH3+])NC(=O)[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000293327410 427290540 /nfs/dbraw/zinc/29/05/40/427290540.db2.gz IUYHHODMYUMNIX-AEFFLSMTSA-N 2 1 317.477 2.675 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H](OC)c2ccccc2)C1 ZINC000338549513 427374452 /nfs/dbraw/zinc/37/44/52/427374452.db2.gz RRQOQEFNCRZPPN-RTBURBONSA-N 2 1 320.477 2.807 20 0 DFADMP C[C@@H](NCc1cn(C(C)(C)C)nn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191580179 427381014 /nfs/dbraw/zinc/38/10/14/427381014.db2.gz YBPXBIDFMASCBY-CABCVRRESA-N 2 1 319.497 2.776 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@@H]3CCOC3(C)C)c2)CCO1 ZINC000293613302 427381969 /nfs/dbraw/zinc/38/19/69/427381969.db2.gz GRKPRHUSDTXSSF-CRAIPNDOSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@@H]3CCOC3(C)C)c2)CCO1 ZINC000293613302 427381975 /nfs/dbraw/zinc/38/19/75/427381975.db2.gz GRKPRHUSDTXSSF-CRAIPNDOSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+][C@H]3CCOC3(C)C)c2)CCO1 ZINC000293613320 427382553 /nfs/dbraw/zinc/38/25/53/427382553.db2.gz GRKPRHUSDTXSSF-QAPCUYQASA-N 2 1 318.461 2.564 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+][C@H]3CCOC3(C)C)c2)CCO1 ZINC000293613320 427382558 /nfs/dbraw/zinc/38/25/58/427382558.db2.gz GRKPRHUSDTXSSF-QAPCUYQASA-N 2 1 318.461 2.564 20 0 DFADMP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338563026 427383167 /nfs/dbraw/zinc/38/31/67/427383167.db2.gz HGXCWCDKBIJTOJ-GOEBONIOSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000338563026 427383172 /nfs/dbraw/zinc/38/31/72/427383172.db2.gz HGXCWCDKBIJTOJ-GOEBONIOSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000338563026 427383179 /nfs/dbraw/zinc/38/31/79/427383179.db2.gz HGXCWCDKBIJTOJ-GOEBONIOSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)C(C)(C)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000338563026 427383184 /nfs/dbraw/zinc/38/31/84/427383184.db2.gz HGXCWCDKBIJTOJ-GOEBONIOSA-N 2 1 308.466 2.524 20 0 DFADMP CS[C@H]1CCCC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000191589816 427384768 /nfs/dbraw/zinc/38/47/68/427384768.db2.gz JOMKOVVDWQSJLS-KRWDZBQOSA-N 2 1 313.555 2.620 20 0 DFADMP CCOCCC[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000338636232 427418862 /nfs/dbraw/zinc/41/88/62/427418862.db2.gz NMZHXWYNONCDCW-OAHLLOKOSA-N 2 1 323.506 2.856 20 0 DFADMP CCOCCC[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000338636232 427418869 /nfs/dbraw/zinc/41/88/69/427418869.db2.gz NMZHXWYNONCDCW-OAHLLOKOSA-N 2 1 323.506 2.856 20 0 DFADMP C[C@@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000293655568 427395925 /nfs/dbraw/zinc/39/59/25/427395925.db2.gz PBTNKZBIJGSVQS-INIZCTEOSA-N 2 1 318.461 2.558 20 0 DFADMP Cn1cc([C@H](c2cccc(F)c2)[N@@H+](C)CC2CC[NH2+]CC2)cn1 ZINC000262303499 427355055 /nfs/dbraw/zinc/35/50/55/427355055.db2.gz XVUXUAWFNNRKKQ-SFHVURJKSA-N 2 1 316.424 2.580 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H](C)[S@@]1=O ZINC000285861532 427356651 /nfs/dbraw/zinc/35/66/51/427356651.db2.gz INYYARYOPCUGLA-ORHBMQHOSA-N 2 1 317.458 2.604 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)C[C@H](C)[S@@]1=O ZINC000285861532 427356656 /nfs/dbraw/zinc/35/66/56/427356656.db2.gz INYYARYOPCUGLA-ORHBMQHOSA-N 2 1 317.458 2.604 20 0 DFADMP CCCC[N@@H+](C)CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338536711 427365798 /nfs/dbraw/zinc/36/57/98/427365798.db2.gz PTIWRGWAPQVBBO-UHFFFAOYSA-N 2 1 317.477 2.744 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCCc2cnn(C)n2)cc1 ZINC000293579630 427369291 /nfs/dbraw/zinc/36/92/91/427369291.db2.gz BYGLLTFSLMPWHR-AWEZNQCLSA-N 2 1 324.432 2.593 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286178753 427447688 /nfs/dbraw/zinc/44/76/88/427447688.db2.gz XBAFLDCNOIAEPD-GUDVDZBRSA-N 2 1 311.429 2.696 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000286178753 427447696 /nfs/dbraw/zinc/44/76/96/427447696.db2.gz XBAFLDCNOIAEPD-GUDVDZBRSA-N 2 1 311.429 2.696 20 0 DFADMP Cc1nc2ccc(NC(=O)C3C[C@H]4CCC[C@@H](C3)C4[NH3+])cc2[nH]1 ZINC000263266667 427449915 /nfs/dbraw/zinc/44/99/15/427449915.db2.gz VIOTUOMDJJDOPE-JPZVUWATSA-N 2 1 312.417 2.963 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)C[C@@H]1CCC[N@H+](C)C1 ZINC000192037988 427467768 /nfs/dbraw/zinc/46/77/68/427467768.db2.gz RCTJKCJZHFLLBV-QGZVFWFLSA-N 3 1 312.461 2.954 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[NH+](C)C[C@@H]1CCC[N@@H+](C)C1 ZINC000192037988 427467772 /nfs/dbraw/zinc/46/77/72/427467772.db2.gz RCTJKCJZHFLLBV-QGZVFWFLSA-N 3 1 312.461 2.954 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+](C)C[C@@H]1CCCN(C)C1 ZINC000192037988 427467786 /nfs/dbraw/zinc/46/77/86/427467786.db2.gz RCTJKCJZHFLLBV-QGZVFWFLSA-N 3 1 312.461 2.954 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+](C)C[C@@H]1CCCN(C)C1 ZINC000192037988 427467793 /nfs/dbraw/zinc/46/77/93/427467793.db2.gz RCTJKCJZHFLLBV-QGZVFWFLSA-N 3 1 312.461 2.954 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H](C)C[NH+](C)C)cc1NC(C)=O ZINC000293865575 427468317 /nfs/dbraw/zinc/46/83/17/427468317.db2.gz XZXDAODPSHNCNU-STQMWFEESA-N 2 1 307.438 2.502 20 0 DFADMP CC[C@@H](C(=O)OC(C)(C)C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000192058418 427471825 /nfs/dbraw/zinc/47/18/25/427471825.db2.gz DDQCJGCCMBMDJP-CABCVRRESA-N 2 1 307.438 2.776 20 0 DFADMP CC[C@@H](C(=O)OC(C)(C)C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000192058418 427471832 /nfs/dbraw/zinc/47/18/32/427471832.db2.gz DDQCJGCCMBMDJP-CABCVRRESA-N 2 1 307.438 2.776 20 0 DFADMP C=Cn1cc(CN[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000278857333 427479457 /nfs/dbraw/zinc/47/94/57/427479457.db2.gz LRSGNGAANJOXPN-QFBILLFUSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000278857333 427479462 /nfs/dbraw/zinc/47/94/62/427479462.db2.gz LRSGNGAANJOXPN-QFBILLFUSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000278857333 427479466 /nfs/dbraw/zinc/47/94/66/427479466.db2.gz LRSGNGAANJOXPN-QFBILLFUSA-N 2 1 310.445 2.984 20 0 DFADMP CC(C)C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271284199 427481957 /nfs/dbraw/zinc/48/19/57/427481957.db2.gz OOKCKZXCRWIULF-LJQANCHMSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccnc(N)c1 ZINC000278871989 427484429 /nfs/dbraw/zinc/48/44/29/427484429.db2.gz OEMSPDADHQYDKV-QAPCUYQASA-N 2 1 310.445 2.664 20 0 DFADMP Cn1cncc1CCN1CCc2cccc(Br)c2C1 ZINC000297933589 427485775 /nfs/dbraw/zinc/48/57/75/427485775.db2.gz UQRZUGAVHIOQEC-UHFFFAOYSA-N 2 1 320.234 2.783 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3cc(F)ccc32)CCCO1 ZINC000278363083 427429889 /nfs/dbraw/zinc/42/98/89/427429889.db2.gz BLWYNIWRVGCSTN-KBXCAEBGSA-N 2 1 306.425 2.904 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000293778165 427432917 /nfs/dbraw/zinc/43/29/17/427432917.db2.gz ZBDZWDXGABQHCU-FQEVSTJZSA-N 2 1 314.473 2.972 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000341033208 271771214 /nfs/dbraw/zinc/77/12/14/271771214.db2.gz KMSQMHLBGXMDNC-BEFAXECRSA-N 2 1 302.462 2.673 20 0 DFADMP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000338686313 427439224 /nfs/dbraw/zinc/43/92/24/427439224.db2.gz FPWQJIMEXASJKL-ZWKOTPCHSA-N 2 1 316.445 2.852 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H]2C[C@H]2c2ccccc2)CC1 ZINC000338689102 427441746 /nfs/dbraw/zinc/44/17/46/427441746.db2.gz QVESUJLQOLCCSX-LZQZEXGQSA-N 2 1 302.462 2.879 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1([C@@H](O)c2ccccc2)CC1 ZINC000271479736 427554507 /nfs/dbraw/zinc/55/45/07/427554507.db2.gz IUXKNURTFXUUKC-AHCXZYCDSA-N 2 1 302.462 2.819 20 0 DFADMP C[C@](O)(C[NH+]1CCC([NH+]2CCCCC2)CC1)c1ccccc1 ZINC000263932638 427613367 /nfs/dbraw/zinc/61/33/67/427613367.db2.gz ZAPKMETZVNKIBH-IBGZPJMESA-N 2 1 302.462 2.844 20 0 DFADMP Cc1cc(NC2CC[NH+](CCN(C)C)CC2)c2ccccc2[nH+]1 ZINC000298471206 427621798 /nfs/dbraw/zinc/62/17/98/427621798.db2.gz PXKKCVOWODJHQT-UHFFFAOYSA-N 2 1 312.461 2.981 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)CCC(=O)Nc2cccc(F)c2)CC1 ZINC000263757853 427560505 /nfs/dbraw/zinc/56/05/05/427560505.db2.gz XQKLGDJXSLNCLM-UHFFFAOYSA-N 2 1 321.440 2.959 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc(F)cc(F)c1 ZINC000271493850 427561587 /nfs/dbraw/zinc/56/15/87/427561587.db2.gz KVLCHBYHUAUBTQ-JBBXEZCESA-N 2 1 324.415 2.993 20 0 DFADMP CCOC(C[N@@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)OCC ZINC000184971441 427572007 /nfs/dbraw/zinc/57/20/07/427572007.db2.gz JPEZKMPZJLHQLA-DLBZAZTESA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[N@H+]1CCC[C@@H](C[NH+]2CCCC[C@@H]2C)C1)OCC ZINC000184971441 427572012 /nfs/dbraw/zinc/57/20/12/427572012.db2.gz JPEZKMPZJLHQLA-DLBZAZTESA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[NH+]1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2C)C1)OCC ZINC000184971441 427572017 /nfs/dbraw/zinc/57/20/17/427572017.db2.gz JPEZKMPZJLHQLA-DLBZAZTESA-N 2 1 312.498 2.972 20 0 DFADMP CCOC(C[NH+]1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)OCC ZINC000184971441 427572020 /nfs/dbraw/zinc/57/20/20/427572020.db2.gz JPEZKMPZJLHQLA-DLBZAZTESA-N 2 1 312.498 2.972 20 0 DFADMP CCc1oc(CN(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1C(=O)OC ZINC000338944960 427576140 /nfs/dbraw/zinc/57/61/40/427576140.db2.gz PFOBWQSGGMGVFK-CZUORRHYSA-N 2 1 322.449 2.791 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287335764 427580605 /nfs/dbraw/zinc/58/06/05/427580605.db2.gz MQVDOLPGWFWASM-OKYOBFRVSA-N 2 1 300.446 2.666 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000263840510 427585744 /nfs/dbraw/zinc/58/57/44/427585744.db2.gz PYAOADRKEAZSSX-QGZVFWFLSA-N 2 1 319.493 2.745 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000294230319 427593834 /nfs/dbraw/zinc/59/38/34/427593834.db2.gz STXCSKCJGICAQN-HZPDHXFCSA-N 2 1 302.418 2.882 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@@H](O)c2cc3ccccc3o2)CC1 ZINC000294230319 427593841 /nfs/dbraw/zinc/59/38/41/427593841.db2.gz STXCSKCJGICAQN-HZPDHXFCSA-N 2 1 302.418 2.882 20 0 DFADMP CC[C@@H](O)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000339008968 427623598 /nfs/dbraw/zinc/62/35/98/427623598.db2.gz DOGLRPMVCKUDJR-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@@H](O)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000339008968 427623601 /nfs/dbraw/zinc/62/36/01/427623601.db2.gz DOGLRPMVCKUDJR-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCCc2ccccc2)CC1 ZINC000192721296 427595277 /nfs/dbraw/zinc/59/52/77/427595277.db2.gz DBXJEOHHWCLUTG-UHFFFAOYSA-N 2 1 317.521 2.967 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)CCc2ccccc2)CC1 ZINC000192722898 427596991 /nfs/dbraw/zinc/59/69/91/427596991.db2.gz CUPPWGZPYQLZBL-UHFFFAOYSA-N 2 1 303.494 2.577 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000287405540 427600716 /nfs/dbraw/zinc/60/07/16/427600716.db2.gz JIBVUZSVKWTUMR-GOEBONIOSA-N 2 1 303.406 2.581 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000287405540 427600723 /nfs/dbraw/zinc/60/07/23/427600723.db2.gz JIBVUZSVKWTUMR-GOEBONIOSA-N 2 1 303.406 2.581 20 0 DFADMP CC(C)N1CCC([NH2+]C2CCN(c3cc[nH+]cc3)CC2)CC1 ZINC000294269265 427606413 /nfs/dbraw/zinc/60/64/13/427606413.db2.gz ROVASZQKPAAJBU-UHFFFAOYSA-N 2 1 302.466 2.513 20 0 DFADMP Cc1cccc2c(N[C@H](C)C[NH+]3CCN(C)CC3)c(C)c[nH+]c12 ZINC000185302239 427628630 /nfs/dbraw/zinc/62/86/30/427628630.db2.gz FQGGWADVICERJI-MRXNPFEDSA-N 2 1 312.461 2.899 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185309151 427629449 /nfs/dbraw/zinc/62/94/49/427629449.db2.gz NJHNSADWEJUFBN-GFOFROLCSA-N 2 1 310.869 2.866 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000192921109 427634369 /nfs/dbraw/zinc/63/43/69/427634369.db2.gz XSQFSWRZQWDWOY-VAMGGRTRSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000192921109 427634375 /nfs/dbraw/zinc/63/43/75/427634375.db2.gz XSQFSWRZQWDWOY-VAMGGRTRSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000192921109 427634381 /nfs/dbraw/zinc/63/43/81/427634381.db2.gz XSQFSWRZQWDWOY-VAMGGRTRSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000192921109 427634390 /nfs/dbraw/zinc/63/43/90/427634390.db2.gz XSQFSWRZQWDWOY-VAMGGRTRSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000192921109 427634397 /nfs/dbraw/zinc/63/43/97/427634397.db2.gz XSQFSWRZQWDWOY-VAMGGRTRSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000192921109 427634404 /nfs/dbraw/zinc/63/44/04/427634404.db2.gz XSQFSWRZQWDWOY-VAMGGRTRSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000192921109 427634413 /nfs/dbraw/zinc/63/44/13/427634413.db2.gz XSQFSWRZQWDWOY-VAMGGRTRSA-N 3 1 313.489 2.725 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000287550493 427635150 /nfs/dbraw/zinc/63/51/50/427635150.db2.gz AQYLWWUHHPEZAK-DOTOQJQBSA-N 2 1 310.869 2.517 20 0 DFADMP COCc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000339042878 427642873 /nfs/dbraw/zinc/64/28/73/427642873.db2.gz CEPPVBZOWPIELR-IPMKNSEASA-N 2 1 318.461 2.517 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3cccs3)no1)CC[NH2+]CC2 ZINC000333601125 427656695 /nfs/dbraw/zinc/65/66/95/427656695.db2.gz QLBRFAGXWLLEQN-GFCCVEGCSA-N 2 1 318.446 2.762 20 0 DFADMP CC(C)[N@H+]1[C@@H]2CC[C@H]1CN(C(=O)[C@@H](C)[NH+]1CCCCCC1)CC2 ZINC000342561505 272024520 /nfs/dbraw/zinc/02/45/20/272024520.db2.gz BEFWRSKVXIAZCR-KURKYZTESA-N 2 1 321.509 2.725 20 0 DFADMP CCC1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000342722021 272047217 /nfs/dbraw/zinc/04/72/17/272047217.db2.gz DJSRWCQQDCTQGC-DZQINNCISA-N 2 1 302.462 2.648 20 0 DFADMP CCC1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000342722021 272047219 /nfs/dbraw/zinc/04/72/19/272047219.db2.gz DJSRWCQQDCTQGC-DZQINNCISA-N 2 1 302.462 2.648 20 0 DFADMP Cn1cnc2cc(C[N@@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc21 ZINC000342907665 272066523 /nfs/dbraw/zinc/06/65/23/272066523.db2.gz HOCBNYHZLLVVIP-KRWDZBQOSA-N 2 1 312.461 2.737 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CC[C@@H](C[NH+](C)CC4CC4)C3)ccc21 ZINC000342907665 272066525 /nfs/dbraw/zinc/06/65/25/272066525.db2.gz HOCBNYHZLLVVIP-KRWDZBQOSA-N 2 1 312.461 2.737 20 0 DFADMP Cn1cnc2cc(C[NH+]3CC[C@@H](C[N@H+](C)CC4CC4)C3)ccc21 ZINC000342907665 272066527 /nfs/dbraw/zinc/06/65/27/272066527.db2.gz HOCBNYHZLLVVIP-KRWDZBQOSA-N 2 1 312.461 2.737 20 0 DFADMP Cn1cnc2cc(C[NH+]3CC[C@@H](C[N@@H+](C)CC4CC4)C3)ccc21 ZINC000342907665 272066529 /nfs/dbraw/zinc/06/65/29/272066529.db2.gz HOCBNYHZLLVVIP-KRWDZBQOSA-N 2 1 312.461 2.737 20 0 DFADMP Cc1ccc(OCCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000343255249 272106077 /nfs/dbraw/zinc/10/60/77/272106077.db2.gz XTBWKMIQOBMTRW-QRVBRYPASA-N 2 1 318.461 2.511 20 0 DFADMP Cc1cc(N(C)CC[NH+]2CCN(Cc3ccccc3)CC2)cc[nH+]1 ZINC000343266554 272108856 /nfs/dbraw/zinc/10/88/56/272108856.db2.gz SJAYRVXZECXWCN-UHFFFAOYSA-N 2 1 324.472 2.644 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c2ccccc21 ZINC000343503431 272161401 /nfs/dbraw/zinc/16/14/01/272161401.db2.gz BBMSNPOWMDOMEF-GPMSIDNRSA-N 2 1 302.462 2.917 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569499 272173363 /nfs/dbraw/zinc/17/33/63/272173363.db2.gz RXIZSXDZZVTMBW-UXHICEINSA-N 2 1 310.441 2.627 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569499 272173366 /nfs/dbraw/zinc/17/33/66/272173366.db2.gz RXIZSXDZZVTMBW-UXHICEINSA-N 2 1 310.441 2.627 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+](C)CCC[NH+]2CCCC2)o1 ZINC000343595891 272179961 /nfs/dbraw/zinc/17/99/61/272179961.db2.gz AQJQWJMDNMPFIV-UHFFFAOYSA-N 2 1 302.422 2.896 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC000343595891 272179963 /nfs/dbraw/zinc/17/99/63/272179963.db2.gz AQJQWJMDNMPFIV-UHFFFAOYSA-N 2 1 302.422 2.896 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891621 272233111 /nfs/dbraw/zinc/23/31/11/272233111.db2.gz YVSKKWSJOIWMFQ-MDZRGWNJSA-N 2 1 319.468 2.845 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343891621 272233113 /nfs/dbraw/zinc/23/31/13/272233113.db2.gz YVSKKWSJOIWMFQ-MDZRGWNJSA-N 2 1 319.468 2.845 20 0 DFADMP Cc1cccc(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343922054 272238413 /nfs/dbraw/zinc/23/84/13/272238413.db2.gz KNNPWYUJHCMDJP-QUCCMNQESA-N 2 1 315.505 2.761 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000343972312 272245979 /nfs/dbraw/zinc/24/59/79/272245979.db2.gz DQRMWLWPQREESR-MOPGFXCFSA-N 2 1 318.461 2.607 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cc(-n2ccnc2)cs1 ZINC000344068655 272255932 /nfs/dbraw/zinc/25/59/32/272255932.db2.gz KCJZRJBEYKOYMP-CYBMUJFWSA-N 2 1 315.446 2.865 20 0 DFADMP COc1cc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc(OC)c1O ZINC000298706588 427681474 /nfs/dbraw/zinc/68/14/74/427681474.db2.gz SJGFPZFCFMZSHK-AWEZNQCLSA-N 2 1 322.449 2.621 20 0 DFADMP CCc1cnc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000344109742 272265036 /nfs/dbraw/zinc/26/50/36/272265036.db2.gz ITYFTWZLTNSEFY-OKILXGFUSA-N 2 1 311.495 2.685 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@H](C)[C@H]1OC ZINC000344156569 272275825 /nfs/dbraw/zinc/27/58/25/272275825.db2.gz AGUFULNLYPVYPZ-ARFHVFGLSA-N 2 1 312.498 2.527 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000344222007 272290316 /nfs/dbraw/zinc/29/03/16/272290316.db2.gz RDDPHSHYUSSFPC-LYPXWFNGSA-N 2 1 302.462 2.772 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC000344243732 272296249 /nfs/dbraw/zinc/29/62/49/272296249.db2.gz VSYAONYXTUKSJT-BBWFWOEESA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000344243732 272296251 /nfs/dbraw/zinc/29/62/51/272296251.db2.gz VSYAONYXTUKSJT-BBWFWOEESA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CC[N@@H+](C)[C@@H](C)C2)C1 ZINC000344243732 272296253 /nfs/dbraw/zinc/29/62/53/272296253.db2.gz VSYAONYXTUKSJT-BBWFWOEESA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)n1nccc1[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000344248415 272296642 /nfs/dbraw/zinc/29/66/42/272296642.db2.gz LDFCBJQUYJOXDY-XLMAVXFVSA-N 2 1 318.465 2.510 20 0 DFADMP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000344335067 272315176 /nfs/dbraw/zinc/31/51/76/272315176.db2.gz QRHQTSZNMVWGIF-DZGCQCFKSA-N 2 1 323.506 2.814 20 0 DFADMP CO[C@@H]1CCC[C@H]1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000344335067 272315178 /nfs/dbraw/zinc/31/51/78/272315178.db2.gz QRHQTSZNMVWGIF-DZGCQCFKSA-N 2 1 323.506 2.814 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000344373198 272323430 /nfs/dbraw/zinc/32/34/30/272323430.db2.gz KCGNWEKAXJMHOV-ZFWWWQNUSA-N 2 1 311.495 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000344373198 272323432 /nfs/dbraw/zinc/32/34/32/272323432.db2.gz KCGNWEKAXJMHOV-ZFWWWQNUSA-N 2 1 311.495 2.678 20 0 DFADMP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000344528389 272334462 /nfs/dbraw/zinc/33/44/62/272334462.db2.gz LGKPQXWIXFALES-OAQYLSRUSA-N 2 1 324.468 2.976 20 0 DFADMP CCc1ccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000344528389 272334465 /nfs/dbraw/zinc/33/44/65/272334465.db2.gz LGKPQXWIXFALES-OAQYLSRUSA-N 2 1 324.468 2.976 20 0 DFADMP O[C@@]1(C[NH2+]C2CCCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000344551405 272336290 /nfs/dbraw/zinc/33/62/90/272336290.db2.gz RHUOGZUUIYNBPO-LJQANCHMSA-N 2 1 302.462 2.936 20 0 DFADMP O[C@@]1(C[NH2+]C2CCCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000344551405 272336292 /nfs/dbraw/zinc/33/62/92/272336292.db2.gz RHUOGZUUIYNBPO-LJQANCHMSA-N 2 1 302.462 2.936 20 0 DFADMP C[C@@H](C(=O)N1CC[NH+](C2CCC2)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000344719708 272360353 /nfs/dbraw/zinc/36/03/53/272360353.db2.gz GAFDADRLVPMXEQ-NXOAAHMSSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@@H](C(=O)N1CC[N@@H+](C2CCC2)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000344719708 272360356 /nfs/dbraw/zinc/36/03/56/272360356.db2.gz GAFDADRLVPMXEQ-NXOAAHMSSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@@H](C(=O)N1CC[N@H+](C2CCC2)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000344719708 272360357 /nfs/dbraw/zinc/36/03/57/272360357.db2.gz GAFDADRLVPMXEQ-NXOAAHMSSA-N 2 1 321.509 2.581 20 0 DFADMP C[C@H](C(=O)N1CC[N@H+](C2CCC2)C[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000344740258 272364208 /nfs/dbraw/zinc/36/42/08/272364208.db2.gz LCSPAAIDYCLGOZ-IAGOWNOFSA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2ccc(C)cc2OCCCOC)C1 ZINC000344924669 272386287 /nfs/dbraw/zinc/38/62/87/272386287.db2.gz WGPIZZZUFJSBGE-SJLPKXTDSA-N 2 1 320.477 2.840 20 0 DFADMP C[C@@H](CCCCO)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000272260921 427688112 /nfs/dbraw/zinc/68/81/12/427688112.db2.gz KCIXGGUKVQKNIR-KRWDZBQOSA-N 2 1 304.478 2.834 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)c(C)n1 ZINC000333789331 427691421 /nfs/dbraw/zinc/69/14/21/427691421.db2.gz FYMZKELFZBTHON-RTQWVHSKSA-N 2 1 314.477 2.898 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295103113 427693529 /nfs/dbraw/zinc/69/35/29/427693529.db2.gz VGOLUDVCXXGYIU-XYTVBORESA-N 2 1 315.461 2.927 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1cc2c(C)nn(C)c2s1 ZINC000287864803 427706451 /nfs/dbraw/zinc/70/64/51/427706451.db2.gz XQEUJNQDBXEKIW-ZDUSSCGKSA-N 2 1 324.494 2.562 20 0 DFADMP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)C1 ZINC000339339236 427756577 /nfs/dbraw/zinc/75/65/77/427756577.db2.gz DZLWNOULQWAEIB-WBVHZDCISA-N 2 1 308.466 2.740 20 0 DFADMP CC1(C)CC([NH2+]Cc2cnn(CC(F)F)c2)CC(C)(C)[NH2+]1 ZINC000336847860 427757253 /nfs/dbraw/zinc/75/72/53/427757253.db2.gz GMNKJXUKSHPQOO-UHFFFAOYSA-N 2 1 300.397 2.547 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000339407401 427768952 /nfs/dbraw/zinc/76/89/52/427768952.db2.gz KRLLXEDEDCXHTF-HNNXBMFYSA-N 2 1 321.856 2.726 20 0 DFADMP Cc1noc(CCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1 ZINC000336872899 427769544 /nfs/dbraw/zinc/76/95/44/427769544.db2.gz RGONOHABHOFLPV-DOTOQJQBSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1 ZINC000336872899 427769547 /nfs/dbraw/zinc/76/95/47/427769547.db2.gz RGONOHABHOFLPV-DOTOQJQBSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000336872899 427769549 /nfs/dbraw/zinc/76/95/49/427769549.db2.gz RGONOHABHOFLPV-DOTOQJQBSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)n1 ZINC000336872899 427769552 /nfs/dbraw/zinc/76/95/52/427769552.db2.gz RGONOHABHOFLPV-DOTOQJQBSA-N 2 1 320.481 2.897 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000339436000 427774825 /nfs/dbraw/zinc/77/48/25/427774825.db2.gz AFMUJHGGWAZZNV-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000339436000 427774829 /nfs/dbraw/zinc/77/48/29/427774829.db2.gz AFMUJHGGWAZZNV-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cccc(-n4cccn4)c3)C2)C1 ZINC000339436000 427774830 /nfs/dbraw/zinc/77/48/30/427774830.db2.gz AFMUJHGGWAZZNV-LJQANCHMSA-N 2 1 310.445 2.790 20 0 DFADMP COC1(CC[NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCC1 ZINC000339445099 427777191 /nfs/dbraw/zinc/77/71/91/427777191.db2.gz UDFXBONIHLEGAW-UHFFFAOYSA-N 2 1 323.506 2.958 20 0 DFADMP COC1(CC[NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCC1 ZINC000339445099 427777193 /nfs/dbraw/zinc/77/71/93/427777193.db2.gz UDFXBONIHLEGAW-UHFFFAOYSA-N 2 1 323.506 2.958 20 0 DFADMP C[C@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC000339199817 427728255 /nfs/dbraw/zinc/72/82/55/427728255.db2.gz BSDPZCVFSOKNAN-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCOC1 ZINC000336725083 427750557 /nfs/dbraw/zinc/75/05/57/427750557.db2.gz XPTKUZJYYSPYDE-FHWLQOOXSA-N 2 1 302.462 2.913 20 0 DFADMP CC[C@H]1CN(c2cc(C)[nH+]c3ccccc32)CC[N@H+]1C[C@H](C)O ZINC000301410680 427795010 /nfs/dbraw/zinc/79/50/10/427795010.db2.gz OWALKQRGVKQDLB-HOTGVXAUSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000345745831 272532312 /nfs/dbraw/zinc/53/23/12/272532312.db2.gz ATFSPKUUVRFTFF-NTDBWNAOSA-N 2 1 323.525 2.768 20 0 DFADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1)[NH+](CC)CC ZINC000340377578 427835134 /nfs/dbraw/zinc/83/51/34/427835134.db2.gz UMESBHRFFYIYAX-KURKYZTESA-N 2 1 317.477 2.668 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355663894 427839118 /nfs/dbraw/zinc/83/91/18/427839118.db2.gz DSUWSLAAKUINGS-RTBURBONSA-N 2 1 302.462 2.540 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355663894 427839126 /nfs/dbraw/zinc/83/91/26/427839126.db2.gz DSUWSLAAKUINGS-RTBURBONSA-N 2 1 302.462 2.540 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000355663894 427839132 /nfs/dbraw/zinc/83/91/32/427839132.db2.gz DSUWSLAAKUINGS-RTBURBONSA-N 2 1 302.462 2.540 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359454642 427858814 /nfs/dbraw/zinc/85/88/14/427858814.db2.gz HOPFHUACQIRAAE-KDURUIRLSA-N 2 1 324.472 2.508 20 0 DFADMP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@@H+]1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000359454642 427858822 /nfs/dbraw/zinc/85/88/22/427858822.db2.gz HOPFHUACQIRAAE-KDURUIRLSA-N 2 1 324.472 2.508 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](N3CCC[C@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686046 427847863 /nfs/dbraw/zinc/84/78/63/427847863.db2.gz YSMQEZNTXVTMAI-VQTJNVASSA-N 2 1 313.489 2.821 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349725558 427851483 /nfs/dbraw/zinc/85/14/83/427851483.db2.gz XMFVRFMWNDAYFY-XFKAJCMBSA-N 2 1 306.425 2.976 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000349725558 427851488 /nfs/dbraw/zinc/85/14/88/427851488.db2.gz XMFVRFMWNDAYFY-XFKAJCMBSA-N 2 1 306.425 2.976 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000340466777 427854096 /nfs/dbraw/zinc/85/40/96/427854096.db2.gz RJXBNJCNBFJVLJ-SMDDNHRTSA-N 2 1 301.356 2.573 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@]1(C)CCCO1 ZINC000340464459 427854373 /nfs/dbraw/zinc/85/43/73/427854373.db2.gz PJKHLAIUCBBIMU-VQIMIIECSA-N 2 1 318.461 2.566 20 0 DFADMP Cc1cccc(NCc2ccccc2C[N@@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000302869699 427883885 /nfs/dbraw/zinc/88/38/85/427883885.db2.gz BALKWBHVSOKADZ-GOSISDBHSA-N 2 1 311.429 2.959 20 0 DFADMP Cc1cccc(NCc2ccccc2C[N@H+]2CCC[C@@H]2CO)[nH+]1 ZINC000302869699 427883889 /nfs/dbraw/zinc/88/38/89/427883889.db2.gz BALKWBHVSOKADZ-GOSISDBHSA-N 2 1 311.429 2.959 20 0 DFADMP C[C@@H](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000345758234 427891168 /nfs/dbraw/zinc/89/11/68/427891168.db2.gz XLWQXRYOEXMOHY-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP CCc1nc(C)cc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)n1 ZINC000340025859 427902726 /nfs/dbraw/zinc/90/27/26/427902726.db2.gz VBAYBFLWGOSWAO-SFHVURJKSA-N 2 1 324.472 3.324 20 0 DFADMP CCc1nc(NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000340025859 427902731 /nfs/dbraw/zinc/90/27/31/427902731.db2.gz VBAYBFLWGOSWAO-SFHVURJKSA-N 2 1 324.472 3.324 20 0 DFADMP CCc1nc(NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)cc(C)[nH+]1 ZINC000340025859 427902737 /nfs/dbraw/zinc/90/27/37/427902737.db2.gz VBAYBFLWGOSWAO-SFHVURJKSA-N 2 1 324.472 3.324 20 0 DFADMP CC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+](CC)CC ZINC000345808978 427915559 /nfs/dbraw/zinc/91/55/59/427915559.db2.gz SYLCJXNFENRSID-HZPDHXFCSA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)COCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000337469784 427920730 /nfs/dbraw/zinc/92/07/30/427920730.db2.gz OUYJZKYBDXPISJ-KDURUIRLSA-N 2 1 302.462 2.723 20 0 DFADMP CC(C)COCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000337469784 427920733 /nfs/dbraw/zinc/92/07/33/427920733.db2.gz OUYJZKYBDXPISJ-KDURUIRLSA-N 2 1 302.462 2.723 20 0 DFADMP CC(C)COCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000337469784 427920735 /nfs/dbraw/zinc/92/07/35/427920735.db2.gz OUYJZKYBDXPISJ-KDURUIRLSA-N 2 1 302.462 2.723 20 0 DFADMP CC(C)COCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000337469784 427920740 /nfs/dbraw/zinc/92/07/40/427920740.db2.gz OUYJZKYBDXPISJ-KDURUIRLSA-N 2 1 302.462 2.723 20 0 DFADMP O[C@@H](C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000304260695 427921603 /nfs/dbraw/zinc/92/16/03/427921603.db2.gz FMSZWLRKUHGTLW-PBHICJAKSA-N 2 1 308.853 2.791 20 0 DFADMP O[C@@H](C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000304260695 427921608 /nfs/dbraw/zinc/92/16/08/427921608.db2.gz FMSZWLRKUHGTLW-PBHICJAKSA-N 2 1 308.853 2.791 20 0 DFADMP CC[N@@H+](CCN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223303 427958776 /nfs/dbraw/zinc/95/87/76/427958776.db2.gz QLNDKMYAUNTWAY-HKUYNNGSSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223303 427958780 /nfs/dbraw/zinc/95/87/80/427958780.db2.gz QLNDKMYAUNTWAY-HKUYNNGSSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)C1CC1 ZINC000340223303 427958787 /nfs/dbraw/zinc/95/87/87/427958787.db2.gz QLNDKMYAUNTWAY-HKUYNNGSSA-N 2 1 301.478 2.896 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000346851273 272694422 /nfs/dbraw/zinc/69/44/22/272694422.db2.gz VOUWFJUJISYCOX-ZYSHUDEJSA-N 2 1 310.445 2.740 20 0 DFADMP CC1(C)CN(C[C@H]2CCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000346855565 272695263 /nfs/dbraw/zinc/69/52/63/272695263.db2.gz ODZPGKGGYCTGDC-SFHVURJKSA-N 2 1 301.478 2.582 20 0 DFADMP COCC[N@H+](C)CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000340236600 427963743 /nfs/dbraw/zinc/96/37/43/427963743.db2.gz RWPBSYODBNJZBE-MSOLQXFVSA-N 2 1 320.477 2.853 20 0 DFADMP COCC[N@@H+](C)CC[C@@H]([NH2+][C@H]1CCOC1(C)C)c1ccccc1 ZINC000340236600 427963748 /nfs/dbraw/zinc/96/37/48/427963748.db2.gz RWPBSYODBNJZBE-MSOLQXFVSA-N 2 1 320.477 2.853 20 0 DFADMP CC[NH+](CC)CCCC1CC[NH+]([C@@H](C)c2nncn2C)CC1 ZINC000346966534 272704424 /nfs/dbraw/zinc/70/44/24/272704424.db2.gz OHMCNTISVCGIAU-HNNXBMFYSA-N 2 1 307.486 2.710 20 0 DFADMP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@@H+](C)C[C@H]3C)c2cc1OC ZINC000413221355 427995566 /nfs/dbraw/zinc/99/55/66/427995566.db2.gz SZLKNLSHTPLFOI-CHWSQXEVSA-N 2 1 315.417 2.781 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000346981504 272706593 /nfs/dbraw/zinc/70/65/93/272706593.db2.gz OBIIVTNPIJYJOQ-HUUCEWRRSA-N 2 1 320.481 2.776 20 0 DFADMP CC(C)CC[C@@H](O)C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000369539740 427992031 /nfs/dbraw/zinc/99/20/31/427992031.db2.gz GJBIUZCKJMDESO-SJLPKXTDSA-N 2 1 308.510 2.980 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304528122 427938284 /nfs/dbraw/zinc/93/82/84/427938284.db2.gz MHPDJFNCHLCGHR-QFBILLFUSA-N 2 1 320.452 2.975 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000304528122 427938291 /nfs/dbraw/zinc/93/82/91/427938291.db2.gz MHPDJFNCHLCGHR-QFBILLFUSA-N 2 1 320.452 2.975 20 0 DFADMP CCc1ccc([C@H](CO)[NH2+]CCCCn2cc[nH+]c2C)cc1 ZINC000359624103 427940906 /nfs/dbraw/zinc/94/09/06/427940906.db2.gz HLZDBPSTJCWMEP-SFHVURJKSA-N 2 1 301.434 2.857 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340180313 427947965 /nfs/dbraw/zinc/94/79/65/427947965.db2.gz HKNXPBOQXHJMFQ-OTWHNJEPSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340180313 427947970 /nfs/dbraw/zinc/94/79/70/427947970.db2.gz HKNXPBOQXHJMFQ-OTWHNJEPSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340180313 427947974 /nfs/dbraw/zinc/94/79/74/427947974.db2.gz HKNXPBOQXHJMFQ-OTWHNJEPSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CC2(SC)CCC2)C1 ZINC000356137853 428037628 /nfs/dbraw/zinc/03/76/28/428037628.db2.gz PWVBYQLWZGWEBC-OAHLLOKOSA-N 2 1 300.512 2.705 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)c1 ZINC000369721490 428044452 /nfs/dbraw/zinc/04/44/52/428044452.db2.gz NDPOHQKLVYZQNR-UHFFFAOYSA-N 2 1 316.445 2.781 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](OCC(C)C)C1 ZINC000346166485 428047412 /nfs/dbraw/zinc/04/74/12/428047412.db2.gz JLDLGYQDKCAYTA-SFHVURJKSA-N 2 1 314.433 2.823 20 0 DFADMP CC(C)C[N@@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000341371201 428051199 /nfs/dbraw/zinc/05/11/99/428051199.db2.gz SEAQMNTUYSFXJX-MRXNPFEDSA-N 2 1 317.468 2.816 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1C[NH2+]C1CCN(CC(F)F)CC1 ZINC000341371201 428051205 /nfs/dbraw/zinc/05/12/05/428051205.db2.gz SEAQMNTUYSFXJX-MRXNPFEDSA-N 2 1 317.468 2.816 20 0 DFADMP COC1CCC([N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346178553 428051921 /nfs/dbraw/zinc/05/19/21/428051921.db2.gz QGOVTQPAWKYNBG-UHFFFAOYSA-N 2 1 314.433 2.965 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)C[C@@H]1c1ccccc1 ZINC000340354922 427996636 /nfs/dbraw/zinc/99/66/36/427996636.db2.gz DYGYKNJYBKEUFX-RCCFBDPRSA-N 2 1 310.445 2.623 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCn3ccnc3C2)C[C@@H]1c1ccccc1 ZINC000340354922 427996639 /nfs/dbraw/zinc/99/66/39/427996639.db2.gz DYGYKNJYBKEUFX-RCCFBDPRSA-N 2 1 310.445 2.623 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[C@@H]1c1ccccc1 ZINC000340360108 427998940 /nfs/dbraw/zinc/99/89/40/427998940.db2.gz YJNHEYSQPKXPBZ-QXCFHYIPSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2CCO)C[C@@H]1c1ccccc1 ZINC000340360108 427998944 /nfs/dbraw/zinc/99/89/44/427998944.db2.gz YJNHEYSQPKXPBZ-QXCFHYIPSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[C@@H]1c1ccccc1 ZINC000340363547 428001191 /nfs/dbraw/zinc/00/11/91/428001191.db2.gz FYCVQDXFZFASIM-VHPHOLNESA-N 2 1 300.446 2.979 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@H]23)C[C@@H]1c1ccccc1 ZINC000340363547 428001195 /nfs/dbraw/zinc/00/11/95/428001195.db2.gz FYCVQDXFZFASIM-VHPHOLNESA-N 2 1 300.446 2.979 20 0 DFADMP CC[N@H+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)[C@H](C)C1 ZINC000413283996 428013008 /nfs/dbraw/zinc/01/30/08/428013008.db2.gz UJAVNALKNGJFQO-CYBMUJFWSA-N 2 1 315.417 2.782 20 0 DFADMP Cn1c(CC[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000369618500 428019301 /nfs/dbraw/zinc/01/93/01/428019301.db2.gz VLZXTNWMRPKBFM-OAHLLOKOSA-N 2 1 323.444 2.507 20 0 DFADMP Cn1c(CC[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000369618500 428019308 /nfs/dbraw/zinc/01/93/08/428019308.db2.gz VLZXTNWMRPKBFM-OAHLLOKOSA-N 2 1 323.444 2.507 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000360037269 428127047 /nfs/dbraw/zinc/12/70/47/428127047.db2.gz JQSXHZMOYIWEOC-FUHWJXTLSA-N 2 1 302.462 2.665 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-n3ccnc3)cs2)CC[N@@H+]1C ZINC000346208188 428071706 /nfs/dbraw/zinc/07/17/06/428071706.db2.gz SQTFXSGSYBBNLH-ZIAGYGMSSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)Cc2cc(-n3ccnc3)cs2)CC[N@H+]1C ZINC000346208188 428071708 /nfs/dbraw/zinc/07/17/08/428071708.db2.gz SQTFXSGSYBBNLH-ZIAGYGMSSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)Cc2cc(-n3ccnc3)cs2)CC[NH+]1C ZINC000346208188 428071713 /nfs/dbraw/zinc/07/17/13/428071713.db2.gz SQTFXSGSYBBNLH-ZIAGYGMSSA-N 2 1 304.463 2.848 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)Cc2cc(-n3ccnc3)cs2)CC[NH+]1C ZINC000346208188 428071716 /nfs/dbraw/zinc/07/17/16/428071716.db2.gz SQTFXSGSYBBNLH-ZIAGYGMSSA-N 2 1 304.463 2.848 20 0 DFADMP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000346213123 428074384 /nfs/dbraw/zinc/07/43/84/428074384.db2.gz JADOCCWFCPCIPQ-IAGOWNOFSA-N 2 1 311.514 2.543 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[NH+](C)[C@H]2c2ccccc2)CC[N@H+]1C ZINC000369851616 428075731 /nfs/dbraw/zinc/07/57/31/428075731.db2.gz KFIOUIATGOGDEN-OWYHZJEWSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CC[NH+]1C ZINC000369851616 428075733 /nfs/dbraw/zinc/07/57/33/428075733.db2.gz KFIOUIATGOGDEN-OWYHZJEWSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)CC[NH+]1C ZINC000369851616 428075738 /nfs/dbraw/zinc/07/57/38/428075738.db2.gz KFIOUIATGOGDEN-OWYHZJEWSA-N 2 1 301.478 2.752 20 0 DFADMP COC(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377195769 428080466 /nfs/dbraw/zinc/08/04/66/428080466.db2.gz GCUCDGQLWDWHHY-UHFFFAOYSA-N 2 1 316.445 2.538 20 0 DFADMP COc1cc(C)c([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@H]3CO2)cc1C ZINC000369913859 428089211 /nfs/dbraw/zinc/08/92/11/428089211.db2.gz SWQVHSNKPMLBAU-ULQDDVLXSA-N 2 1 318.461 2.826 20 0 DFADMP COc1cc(C)c([C@H](C)NC[C@H]2C[N@H+]3CCC[C@H]3CO2)cc1C ZINC000369913859 428089213 /nfs/dbraw/zinc/08/92/13/428089213.db2.gz SWQVHSNKPMLBAU-ULQDDVLXSA-N 2 1 318.461 2.826 20 0 DFADMP CCN(C)c1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cn1 ZINC000359963146 428096107 /nfs/dbraw/zinc/09/61/07/428096107.db2.gz JHOAYQIXDMEVRZ-UHFFFAOYSA-N 2 1 302.466 2.644 20 0 DFADMP Cc1c(C[N@@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338415 428108288 /nfs/dbraw/zinc/10/82/88/428108288.db2.gz XKNZMTRHQVLVOH-ICSRJNTNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338415 428108293 /nfs/dbraw/zinc/10/82/93/428108293.db2.gz XKNZMTRHQVLVOH-ICSRJNTNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338415 428108296 /nfs/dbraw/zinc/10/82/96/428108296.db2.gz XKNZMTRHQVLVOH-ICSRJNTNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1c(C[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cnn1C ZINC000377338415 428108299 /nfs/dbraw/zinc/10/82/99/428108299.db2.gz XKNZMTRHQVLVOH-ICSRJNTNSA-N 2 1 324.472 2.682 20 0 DFADMP CCSCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000360000372 428109745 /nfs/dbraw/zinc/10/97/45/428109745.db2.gz RRIXJRWSKWSYLH-OWCLPIDISA-N 2 1 300.512 2.609 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000351859193 428114078 /nfs/dbraw/zinc/11/40/78/428114078.db2.gz FVLVIMAFKJOAPW-NEPJUHHUSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000351865854 428117181 /nfs/dbraw/zinc/11/71/81/428117181.db2.gz PFZLGROMTFZILB-OFQRWUPVSA-N 2 1 311.429 2.836 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)Nc2cccc3ccccc32)C1 ZINC000351865854 428117187 /nfs/dbraw/zinc/11/71/87/428117187.db2.gz PFZLGROMTFZILB-OFQRWUPVSA-N 2 1 311.429 2.836 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@H+]1C1CCCCC1)C(C)(C)n1cncn1 ZINC000377394065 428120041 /nfs/dbraw/zinc/12/00/41/428120041.db2.gz SRVCSUKEHKLKLK-WBVHZDCISA-N 2 1 319.497 2.788 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000360018408 428120110 /nfs/dbraw/zinc/12/01/10/428120110.db2.gz QHRYTIDYJDMHAA-XJKSGUPXSA-N 2 1 313.401 2.710 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027745 428126430 /nfs/dbraw/zinc/12/64/30/428126430.db2.gz OEDUBXUFULEGOL-WBVHZDCISA-N 2 1 318.461 2.805 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027745 428126434 /nfs/dbraw/zinc/12/64/34/428126434.db2.gz OEDUBXUFULEGOL-WBVHZDCISA-N 2 1 318.461 2.805 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000360027745 428126440 /nfs/dbraw/zinc/12/64/40/428126440.db2.gz OEDUBXUFULEGOL-WBVHZDCISA-N 2 1 318.461 2.805 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341606203 428126643 /nfs/dbraw/zinc/12/66/43/428126643.db2.gz VEVSVCATPRYTKC-HIFRSBDPSA-N 2 1 317.433 2.543 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc2c(c1)NC(=O)CO2 ZINC000341606203 428126647 /nfs/dbraw/zinc/12/66/47/428126647.db2.gz VEVSVCATPRYTKC-HIFRSBDPSA-N 2 1 317.433 2.543 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H](C1CC1)[NH+](C)Cc1ccccc1 ZINC000360040343 428131415 /nfs/dbraw/zinc/13/14/15/428131415.db2.gz UHYJHXGWALZUCE-LSTHTHJFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H](C1CC1)[N@H+](C)Cc1ccccc1 ZINC000360040343 428131417 /nfs/dbraw/zinc/13/14/17/428131417.db2.gz UHYJHXGWALZUCE-LSTHTHJFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1 ZINC000360040343 428131420 /nfs/dbraw/zinc/13/14/20/428131420.db2.gz UHYJHXGWALZUCE-LSTHTHJFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040343 428131422 /nfs/dbraw/zinc/13/14/22/428131422.db2.gz UHYJHXGWALZUCE-LSTHTHJFSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H](C1CC1)N(C)Cc1ccccc1 ZINC000360040343 428131425 /nfs/dbraw/zinc/13/14/25/428131425.db2.gz UHYJHXGWALZUCE-LSTHTHJFSA-N 2 1 315.505 2.827 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000370123590 428138925 /nfs/dbraw/zinc/13/89/25/428138925.db2.gz SXPBBUIYNNGUSO-UHFFFAOYSA-N 2 1 301.434 2.752 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](CCC[NH3+])CC2CCCC2)cn1 ZINC000352534380 428139532 /nfs/dbraw/zinc/13/95/32/428139532.db2.gz FZAKBJOMJJGNAK-UHFFFAOYSA-N 2 1 304.482 2.879 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000360058617 428139838 /nfs/dbraw/zinc/13/98/38/428139838.db2.gz XWFSMHJNJVNDEX-KRWDZBQOSA-N 2 1 304.478 2.786 20 0 DFADMP COC(=O)c1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)oc1C ZINC000352540122 428142046 /nfs/dbraw/zinc/14/20/46/428142046.db2.gz HLMPAJTYZKLUIS-UHFFFAOYSA-N 2 1 308.422 2.716 20 0 DFADMP COc1cc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)ccc1O ZINC000370151272 428143620 /nfs/dbraw/zinc/14/36/20/428143620.db2.gz ORIIESQSPWEBOM-UHFFFAOYSA-N 2 1 304.434 2.709 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000360041499 428129719 /nfs/dbraw/zinc/12/97/19/428129719.db2.gz YFDGYMZQNMKEHC-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000360041499 428129725 /nfs/dbraw/zinc/12/97/25/428129725.db2.gz YFDGYMZQNMKEHC-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP Cc1cnn(C)c1CN(C)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000377545365 428154770 /nfs/dbraw/zinc/15/47/70/428154770.db2.gz XKWUACCHTNRQDT-SFHVURJKSA-N 2 1 312.461 2.682 20 0 DFADMP C[C@H](O)c1ncc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)s1 ZINC000377549232 428154886 /nfs/dbraw/zinc/15/48/86/428154886.db2.gz KHHJETZCLOSMHX-WOSRLPQWSA-N 2 1 321.490 2.645 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377644365 428183016 /nfs/dbraw/zinc/18/30/16/428183016.db2.gz FGSZVWPSODMKPG-RHSMWYFYSA-N 2 1 317.408 2.558 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377644365 428183019 /nfs/dbraw/zinc/18/30/19/428183019.db2.gz FGSZVWPSODMKPG-RHSMWYFYSA-N 2 1 317.408 2.558 20 0 DFADMP c1ccc2c(c1)CC[C@@]1(CC[N@@H+](CCC[NH+]3CCCC3)C1)O2 ZINC000377659762 428185822 /nfs/dbraw/zinc/18/58/22/428185822.db2.gz PWUOERYNXPBMBW-IBGZPJMESA-N 2 1 300.446 2.942 20 0 DFADMP c1ccc2c(c1)CC[C@@]1(CC[N@H+](CCC[NH+]3CCCC3)C1)O2 ZINC000377659762 428185826 /nfs/dbraw/zinc/18/58/26/428185826.db2.gz PWUOERYNXPBMBW-IBGZPJMESA-N 2 1 300.446 2.942 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000346444925 428174939 /nfs/dbraw/zinc/17/49/39/428174939.db2.gz MLMRBDXGFMMXNH-NWDGAFQWSA-N 2 1 314.367 2.708 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000346444925 428174942 /nfs/dbraw/zinc/17/49/42/428174942.db2.gz MLMRBDXGFMMXNH-NWDGAFQWSA-N 2 1 314.367 2.708 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)F)C[C@@H]1C ZINC000346444925 428174948 /nfs/dbraw/zinc/17/49/48/428174948.db2.gz MLMRBDXGFMMXNH-NWDGAFQWSA-N 2 1 314.367 2.708 20 0 DFADMP C[N@H+](CCCOCc1ccccc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377625196 428176052 /nfs/dbraw/zinc/17/60/52/428176052.db2.gz HXVNLQOVROSEMT-GOSISDBHSA-N 2 1 313.445 2.984 20 0 DFADMP C[N@@H+](CCCOCc1ccccc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377625196 428176055 /nfs/dbraw/zinc/17/60/55/428176055.db2.gz HXVNLQOVROSEMT-GOSISDBHSA-N 2 1 313.445 2.984 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)s1 ZINC000377623479 428176769 /nfs/dbraw/zinc/17/67/69/428176769.db2.gz FAXDQIZSYSQLKS-INIZCTEOSA-N 2 1 307.507 2.657 20 0 DFADMP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000360138540 428177341 /nfs/dbraw/zinc/17/73/41/428177341.db2.gz FTNOUPSNVMSOQX-WMLDXEAASA-N 2 1 318.465 2.646 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)cn1 ZINC000414097464 428206642 /nfs/dbraw/zinc/20/66/42/428206642.db2.gz JCCQGVWQDSNWIC-AEFFLSMTSA-N 2 1 319.493 2.979 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352692844 428207081 /nfs/dbraw/zinc/20/70/81/428207081.db2.gz KNRBCESCOUAEHP-CQSZACIVSA-N 2 1 314.424 2.606 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352692844 428207086 /nfs/dbraw/zinc/20/70/86/428207086.db2.gz KNRBCESCOUAEHP-CQSZACIVSA-N 2 1 314.424 2.606 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000360225885 428212539 /nfs/dbraw/zinc/21/25/39/428212539.db2.gz SPSDYGBLGATUMI-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CCn1cc[nH+]c1C(C)C ZINC000360225885 428212546 /nfs/dbraw/zinc/21/25/46/428212546.db2.gz SPSDYGBLGATUMI-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000414127352 428214459 /nfs/dbraw/zinc/21/44/59/428214459.db2.gz SCWMQJJAENVVEK-SJORKVTESA-N 2 1 320.477 2.891 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[C@@H]1C ZINC000414128065 428214693 /nfs/dbraw/zinc/21/46/93/428214693.db2.gz SWHKLYOBNSNAEU-AXDKOMKPSA-N 2 1 316.489 2.894 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[C@@H]1C ZINC000414128065 428214699 /nfs/dbraw/zinc/21/46/99/428214699.db2.gz SWHKLYOBNSNAEU-AXDKOMKPSA-N 2 1 316.489 2.894 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCC(C)(C)OC)[C@H](C)C1 ZINC000346559211 428217019 /nfs/dbraw/zinc/21/70/19/428217019.db2.gz JGRQUKFERQDADC-HZPDHXFCSA-N 2 1 300.487 2.528 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CC[C@H]3CCC[N@@H+](C)C3)c(C)n2n1 ZINC000414169644 428222288 /nfs/dbraw/zinc/22/22/88/428222288.db2.gz BFZUEDBUUUUVJF-GOEBONIOSA-N 2 1 315.465 2.729 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H](c2ccccc2)c2cncnc2)C1 ZINC000414174244 428224726 /nfs/dbraw/zinc/22/47/26/428224726.db2.gz GMDKDHQLLYCEKL-VQIMIIECSA-N 2 1 310.445 2.888 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2[C@@H]3CCO[C@H]3C23CCCC3)s1 ZINC000352757606 428233644 /nfs/dbraw/zinc/23/36/44/428233644.db2.gz GCMYTGGFIVZKHE-NUEKZKHPSA-N 2 1 321.490 2.642 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+]C/C=C/c2ccc(F)c(F)c2)CC1 ZINC000352756927 428233774 /nfs/dbraw/zinc/23/37/74/428233774.db2.gz SLEIGBHXWQNTHG-WOMSROEHSA-N 2 1 324.415 2.660 20 0 DFADMP C[C@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)[C@@H]1COc2ccccc21 ZINC000352759231 428233822 /nfs/dbraw/zinc/23/38/22/428233822.db2.gz JLVSCHIXFGJUBU-WFASDCNBSA-N 2 1 317.458 2.859 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)[C@@H](C)C2 ZINC000352757882 428235048 /nfs/dbraw/zinc/23/50/48/428235048.db2.gz LLGKWWHBWSQBMK-ILZDJORESA-N 2 1 316.489 2.911 20 0 DFADMP CC(C)C1CCC(C[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000352761851 428237150 /nfs/dbraw/zinc/23/71/50/428237150.db2.gz ZUTCTNHSDNVLIK-DAWZGUTISA-N 2 1 323.525 2.626 20 0 DFADMP CCc1cccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000346609900 428237496 /nfs/dbraw/zinc/23/74/96/428237496.db2.gz KKGDZSUUMPDXDN-QGZVFWFLSA-N 2 1 315.505 2.849 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000377674584 428190610 /nfs/dbraw/zinc/19/06/10/428190610.db2.gz KVBBXNPUZAXSOZ-ZWKOTPCHSA-N 2 1 316.424 2.756 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC000377674578 428191184 /nfs/dbraw/zinc/19/11/84/428191184.db2.gz KVBBXNPUZAXSOZ-QZTJIDSGSA-N 2 1 316.424 2.756 20 0 DFADMP Cn1cc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c(C(C)(C)C)n1 ZINC000360183312 428194302 /nfs/dbraw/zinc/19/43/02/428194302.db2.gz ZVFFRLYJUASIEJ-UHFFFAOYSA-N 2 1 306.498 2.929 20 0 DFADMP CO[C@@H](C)c1nc(C[N@H+](C)C[C@H]2CCn3ccnc3C2)cs1 ZINC000377688940 428195236 /nfs/dbraw/zinc/19/52/36/428195236.db2.gz XAQKMNBBXWRJIQ-STQMWFEESA-N 2 1 320.462 2.741 20 0 DFADMP CO[C@@H](C)c1nc(C[N@@H+](C)C[C@H]2CCn3ccnc3C2)cs1 ZINC000377688940 428195240 /nfs/dbraw/zinc/19/52/40/428195240.db2.gz XAQKMNBBXWRJIQ-STQMWFEESA-N 2 1 320.462 2.741 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414068379 428195403 /nfs/dbraw/zinc/19/54/03/428195403.db2.gz BAQMRFXWYJKGPB-PHAGKYIGSA-N 2 1 302.462 2.504 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@H]1C[C@H]1C ZINC000414068379 428195411 /nfs/dbraw/zinc/19/54/11/428195411.db2.gz BAQMRFXWYJKGPB-PHAGKYIGSA-N 2 1 302.462 2.504 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000377691618 428196010 /nfs/dbraw/zinc/19/60/10/428196010.db2.gz IFCRLFCGRDQEQA-KGLIPLIRSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@@H](C)[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000377691618 428196015 /nfs/dbraw/zinc/19/60/15/428196015.db2.gz IFCRLFCGRDQEQA-KGLIPLIRSA-N 2 1 315.417 2.853 20 0 DFADMP CC[C@H]1C[N@@H+](CCCc2cnccc2C)C[C@]2(CCOC2)O1 ZINC000377687697 428196964 /nfs/dbraw/zinc/19/69/64/428196964.db2.gz AQESWODSWKPGPN-ROUUACIJSA-N 2 1 304.434 2.593 20 0 DFADMP CC[C@H]1CN(CCCc2cnccc2C)C[C@]2(CCOC2)O1 ZINC000377687697 428196968 /nfs/dbraw/zinc/19/69/68/428196968.db2.gz AQESWODSWKPGPN-ROUUACIJSA-N 2 1 304.434 2.593 20 0 DFADMP CO[C@@H](C)c1nc(C[N@H+](C)C[C@@H]2CCn3ccnc3C2)cs1 ZINC000377688939 428197156 /nfs/dbraw/zinc/19/71/56/428197156.db2.gz XAQKMNBBXWRJIQ-QWHCGFSZSA-N 2 1 320.462 2.741 20 0 DFADMP CO[C@@H](C)c1nc(C[N@@H+](C)C[C@@H]2CCn3ccnc3C2)cs1 ZINC000377688939 428197162 /nfs/dbraw/zinc/19/71/62/428197162.db2.gz XAQKMNBBXWRJIQ-QWHCGFSZSA-N 2 1 320.462 2.741 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377694382 428200446 /nfs/dbraw/zinc/20/04/46/428200446.db2.gz ISCZQJOWSPJUDJ-QWHCGFSZSA-N 2 1 301.390 2.511 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000377948615 428268929 /nfs/dbraw/zinc/26/89/29/428268929.db2.gz UCJGMDOPJQSADM-DQEVTTJGSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000377948615 428268934 /nfs/dbraw/zinc/26/89/34/428268934.db2.gz UCJGMDOPJQSADM-DQEVTTJGSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377948615 428268937 /nfs/dbraw/zinc/26/89/37/428268937.db2.gz UCJGMDOPJQSADM-DQEVTTJGSA-N 2 1 318.436 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000377948615 428268943 /nfs/dbraw/zinc/26/89/43/428268943.db2.gz UCJGMDOPJQSADM-DQEVTTJGSA-N 2 1 318.436 2.584 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C[NH3+])CC1 ZINC000346684010 428274119 /nfs/dbraw/zinc/27/41/19/428274119.db2.gz GKPGAIRHORKMIT-UHFFFAOYSA-N 3 1 303.494 2.815 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C[NH3+])CC1 ZINC000346684010 428274127 /nfs/dbraw/zinc/27/41/27/428274127.db2.gz GKPGAIRHORKMIT-UHFFFAOYSA-N 2 1 303.494 2.815 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346695347 428276463 /nfs/dbraw/zinc/27/64/63/428276463.db2.gz ZXLCOPYJVZWHNS-JQWIXIFHSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346695347 428276469 /nfs/dbraw/zinc/27/64/69/428276469.db2.gz ZXLCOPYJVZWHNS-JQWIXIFHSA-N 2 1 320.330 2.936 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)cc1OCC(C)C ZINC000346693596 428276746 /nfs/dbraw/zinc/27/67/46/428276746.db2.gz OEMUNAWQAVXPOA-ZBFHGGJFSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000346693181 428277265 /nfs/dbraw/zinc/27/72/65/428277265.db2.gz LFHJBKKWOIZOLX-DOTOQJQBSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346695349 428279729 /nfs/dbraw/zinc/27/97/29/428279729.db2.gz ZXLCOPYJVZWHNS-ZYHUDNBSSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)(F)F)c(F)c1 ZINC000346695349 428279734 /nfs/dbraw/zinc/27/97/34/428279734.db2.gz ZXLCOPYJVZWHNS-ZYHUDNBSSA-N 2 1 320.330 2.936 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@H]2CC(C)=C[C@@H](C)C2)CC1 ZINC000352855614 428280747 /nfs/dbraw/zinc/28/07/47/428280747.db2.gz TVYBCNJZKCPXFF-IEBWSBKVSA-N 2 1 307.526 2.986 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000360428498 428295109 /nfs/dbraw/zinc/29/51/09/428295109.db2.gz NXORGPDJGPSGKZ-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc(C(C)(C)C)nc2)C1 ZINC000377835857 428241596 /nfs/dbraw/zinc/24/15/96/428241596.db2.gz XBKLSOJTFHDBEE-HZPDHXFCSA-N 2 1 302.466 2.690 20 0 DFADMP CC(C)N(C)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cn1 ZINC000377838598 428242904 /nfs/dbraw/zinc/24/29/04/428242904.db2.gz AJVYETARZCYTMA-MSOLQXFVSA-N 2 1 316.493 2.842 20 0 DFADMP CC(C)N(C)c1ccc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000377838601 428243100 /nfs/dbraw/zinc/24/31/00/428243100.db2.gz AJVYETARZCYTMA-ZWKOTPCHSA-N 2 1 316.493 2.842 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CCC1CCCC1 ZINC000346617458 428243190 /nfs/dbraw/zinc/24/31/90/428243190.db2.gz HFIJRYSLYFVUOM-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)CC1CCCCC1 ZINC000346621460 428244158 /nfs/dbraw/zinc/24/41/58/428244158.db2.gz LZCWDUAFBXTXGS-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP C[N@@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377861935 428246902 /nfs/dbraw/zinc/24/69/02/428246902.db2.gz USDZJNVHYSKZKY-CYBMUJFWSA-N 2 1 311.389 2.561 20 0 DFADMP C[N@H+](Cc1ccc(-c2cc[nH]n2)o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377861935 428246907 /nfs/dbraw/zinc/24/69/07/428246907.db2.gz USDZJNVHYSKZKY-CYBMUJFWSA-N 2 1 311.389 2.561 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)[C@@H](C)OC ZINC000414270337 428247093 /nfs/dbraw/zinc/24/70/93/428247093.db2.gz PRDDYXHSOGTUSK-QFHJOOASSA-N 2 1 320.477 2.537 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H](C)[C@@H](C)OC ZINC000414270337 428247097 /nfs/dbraw/zinc/24/70/97/428247097.db2.gz PRDDYXHSOGTUSK-QFHJOOASSA-N 2 1 320.477 2.537 20 0 DFADMP C[N@@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377861502 428247894 /nfs/dbraw/zinc/24/78/94/428247894.db2.gz RRGTXOWIKIAENY-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP C[N@H+](Cc1cc(F)c(F)c(F)c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377861502 428247896 /nfs/dbraw/zinc/24/78/96/428247896.db2.gz RRGTXOWIKIAENY-NSHDSACASA-N 2 1 309.335 2.995 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858682 428248137 /nfs/dbraw/zinc/24/81/37/428248137.db2.gz AUOUKRGHILFWKG-DNVCBOLYSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858682 428248143 /nfs/dbraw/zinc/24/81/43/428248143.db2.gz AUOUKRGHILFWKG-DNVCBOLYSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858682 428248146 /nfs/dbraw/zinc/24/81/46/428248146.db2.gz AUOUKRGHILFWKG-DNVCBOLYSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1cccc(-c2cnn(C)c2)c1 ZINC000377858682 428248148 /nfs/dbraw/zinc/24/81/48/428248148.db2.gz AUOUKRGHILFWKG-DNVCBOLYSA-N 2 1 312.461 2.859 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000346640206 428250652 /nfs/dbraw/zinc/25/06/52/428250652.db2.gz KWMVVWODHIRGSK-RDJZCZTQSA-N 2 1 311.429 2.830 20 0 DFADMP CCc1nc(NC[C@@H](c2ccco2)[NH+](CC)CC)cc(C)[nH+]1 ZINC000341931152 428251504 /nfs/dbraw/zinc/25/15/04/428251504.db2.gz QUTWSGQBDQWFET-AWEZNQCLSA-N 2 1 302.422 3.435 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2nc(-c3ccsc3)no2)CC1 ZINC000360322075 428251515 /nfs/dbraw/zinc/25/15/15/428251515.db2.gz HIYGXJSASPOBNZ-UHFFFAOYSA-N 2 1 306.435 2.572 20 0 DFADMP CCn1cc[nH+]c1NCc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000414300204 428252919 /nfs/dbraw/zinc/25/29/19/428252919.db2.gz LTAFWYCXDCAVLO-UHFFFAOYSA-N 2 1 305.451 2.738 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCN(c2ccc(F)cc2F)C1 ZINC000370627519 428256808 /nfs/dbraw/zinc/25/68/08/428256808.db2.gz CDKWBHNNKGYBNK-LNCBFAARSA-N 2 1 323.431 2.862 20 0 DFADMP CC(C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000414329268 428259783 /nfs/dbraw/zinc/25/97/83/428259783.db2.gz BBTWTETVFQGZRU-INMHGKMJSA-N 2 1 309.498 2.532 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(CC(=O)N2CCCC2)CC1 ZINC000378124501 428314478 /nfs/dbraw/zinc/31/44/78/428314478.db2.gz AXOWMYWRCBSVTR-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000356809030 428314532 /nfs/dbraw/zinc/31/45/32/428314532.db2.gz AHADXRFUZIFFKJ-FQEVSTJZSA-N 2 1 315.505 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000342131628 428316327 /nfs/dbraw/zinc/31/63/27/428316327.db2.gz NWVXCYMIILFDCD-KRWDZBQOSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1c1cnn(C)c1 ZINC000342131628 428316333 /nfs/dbraw/zinc/31/63/33/428316333.db2.gz NWVXCYMIILFDCD-KRWDZBQOSA-N 2 1 301.438 2.932 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(C)c1OC ZINC000342143754 428320516 /nfs/dbraw/zinc/32/05/16/428320516.db2.gz QOKGHENIMFOKFQ-CQSZACIVSA-N 2 1 315.417 2.561 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@H](C)C1 ZINC000378168761 428325595 /nfs/dbraw/zinc/32/55/95/428325595.db2.gz MGUJWKYBKFBHJX-CRAIPNDOSA-N 2 1 316.493 2.679 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccccn4)s3)C[C@H]21 ZINC000346816326 428328746 /nfs/dbraw/zinc/32/87/46/428328746.db2.gz AIEJYFCFJNLPND-NWANDNLSSA-N 2 1 314.458 2.764 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@@H]21 ZINC000346823942 428330909 /nfs/dbraw/zinc/33/09/09/428330909.db2.gz KEERQLXTSXHVIZ-RRQGHBQHSA-N 2 1 314.408 2.775 20 0 DFADMP CCOc1cc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346829851 428333702 /nfs/dbraw/zinc/33/37/02/428333702.db2.gz ODLCFBXXDYCJLS-GZBFAFLISA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc(Cl)c1OC ZINC000346829851 428333704 /nfs/dbraw/zinc/33/37/04/428333704.db2.gz ODLCFBXXDYCJLS-GZBFAFLISA-N 2 1 324.852 2.916 20 0 DFADMP C[N@@H+](CCCc1cc(-c2cccc(F)c2)n[nH]1)CC(C)(C)[NH3+] ZINC000346830105 428333924 /nfs/dbraw/zinc/33/39/24/428333924.db2.gz JLOUXUHYMHYZMF-UHFFFAOYSA-N 2 1 304.413 2.818 20 0 DFADMP C[N@@H+](CCCc1cc(-c2ccccc2)n[nH]1)C[C@H]1CCC[NH2+]C1 ZINC000346829512 428334571 /nfs/dbraw/zinc/33/45/71/428334571.db2.gz VKUASZRDRNFVLH-INIZCTEOSA-N 2 1 312.461 2.941 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2C[C@H]2CCC[NH2+]C2)c(OC)c1 ZINC000346830156 428336490 /nfs/dbraw/zinc/33/64/90/428336490.db2.gz KAULAGWDPZSCNJ-WMLDXEAASA-N 2 1 304.434 2.840 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)ccc1OC ZINC000346841266 428342324 /nfs/dbraw/zinc/34/23/24/428342324.db2.gz GYXDZZWTTKLMLP-ARFHVFGLSA-N 2 1 304.434 2.653 20 0 DFADMP C[C@@H]1C[C@H](CNC(=[NH2+])Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000371017801 428342518 /nfs/dbraw/zinc/34/25/18/428342518.db2.gz UEZYUSHAJOLCKG-NVXWUHKLSA-N 2 1 323.444 2.928 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cnc4ccc(Cl)cn34)C[C@@H]21 ZINC000346840493 428343215 /nfs/dbraw/zinc/34/32/15/428343215.db2.gz FSTVTBKOECOXNG-TUKIKUTGSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc4ccc(Cl)cn34)C[C@@H]21 ZINC000346840493 428343219 /nfs/dbraw/zinc/34/32/19/428343219.db2.gz FSTVTBKOECOXNG-TUKIKUTGSA-N 2 1 304.825 2.547 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346848971 428344554 /nfs/dbraw/zinc/34/45/54/428344554.db2.gz FXHIUAXUEAFCRF-KFKAGJAMSA-N 2 1 310.445 2.658 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000346848970 428344732 /nfs/dbraw/zinc/34/47/32/428344732.db2.gz FXHIUAXUEAFCRF-IPELMVKDSA-N 2 1 310.445 2.658 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccccc3F)C[C@H]21 ZINC000346846266 428345455 /nfs/dbraw/zinc/34/54/55/428345455.db2.gz NTSFERSVQWBSAR-XGWLTEMNSA-N 2 1 314.408 2.775 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@@H](C)[C@@H]3CCCOC3)CCCC2)CC1 ZINC000356891537 428352067 /nfs/dbraw/zinc/35/20/67/428352067.db2.gz GXGBYLDLDOKTBT-DLBZAZTESA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)c1cccc(NC(=[NH2+])NC[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000360572436 428353866 /nfs/dbraw/zinc/35/38/66/428353866.db2.gz KHHSRUXFIYYZIC-IRXDYDNUSA-N 2 1 316.449 2.609 20 0 DFADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000414450428 428302113 /nfs/dbraw/zinc/30/21/13/428302113.db2.gz XPDDWPPSCLALPH-KRWDZBQOSA-N 2 1 310.445 2.651 20 0 DFADMP CCc1ncc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000414450428 428302115 /nfs/dbraw/zinc/30/21/15/428302115.db2.gz XPDDWPPSCLALPH-KRWDZBQOSA-N 2 1 310.445 2.651 20 0 DFADMP C[C@@H](c1ccc(F)cc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371426854 428388571 /nfs/dbraw/zinc/38/85/71/428388571.db2.gz ZHPDZFIZOWFFPF-KXBFYZLASA-N 2 1 319.468 2.987 20 0 DFADMP C[C@@](O)(C[NH2+]C1CC[NH+](CC2CCCCC2)CC1)C(F)(F)F ZINC000378405126 428389070 /nfs/dbraw/zinc/38/90/70/428389070.db2.gz QLFARISCCAGYSG-OAHLLOKOSA-N 2 1 322.415 2.934 20 0 DFADMP Cc1ncsc1C[N@@H+](C)C[C@@H]1CCN(CC[NH2+]C(C)(C)C)C1 ZINC000414742937 428390957 /nfs/dbraw/zinc/39/09/57/428390957.db2.gz MRPXEYLSFYUCSW-HNNXBMFYSA-N 2 1 324.538 2.593 20 0 DFADMP CC[C@@H]1CN(c2ccccc2)CC[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414745690 428392844 /nfs/dbraw/zinc/39/28/44/428392844.db2.gz RCXDJOFSXRPYBJ-FGTMMUONSA-N 2 1 301.478 2.975 20 0 DFADMP Cc1cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)s1 ZINC000378424006 428393256 /nfs/dbraw/zinc/39/32/56/428393256.db2.gz CZVAHUWVOIZFSY-GOSISDBHSA-N 2 1 321.534 2.965 20 0 DFADMP COc1ccc(C[N@H+](C[C@@H]([NH3+])CC(C)C)[C@H](CO)C(C)C)cc1 ZINC000414757109 428395159 /nfs/dbraw/zinc/39/51/59/428395159.db2.gz KVTHNBKJUVMUAE-PKOBYXMFSA-N 2 1 322.493 2.888 20 0 DFADMP COc1ccc(C[N@@H+](C[C@@H]([NH3+])CC(C)C)[C@H](CO)C(C)C)cc1 ZINC000414757109 428395164 /nfs/dbraw/zinc/39/51/64/428395164.db2.gz KVTHNBKJUVMUAE-PKOBYXMFSA-N 2 1 322.493 2.888 20 0 DFADMP CCc1ccc(C[N@@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000378437706 428395619 /nfs/dbraw/zinc/39/56/19/428395619.db2.gz XYYYKCJRSBSJKM-FQEVSTJZSA-N 2 1 315.505 2.849 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000378430043 428396025 /nfs/dbraw/zinc/39/60/25/428396025.db2.gz BMDGUKFQFKRVPR-IAGOWNOFSA-N 2 1 319.468 2.846 20 0 DFADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414764713 428398014 /nfs/dbraw/zinc/39/80/14/428398014.db2.gz OUFZBHXEKBYLMW-BRWVUGGUSA-N 2 1 317.477 2.526 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CC12CCOCC2 ZINC000414773729 428401073 /nfs/dbraw/zinc/40/10/73/428401073.db2.gz DULMABGVLVTDJC-STOZHHMFSA-N 2 1 304.409 2.526 20 0 DFADMP c1ccc(OCC2CC2)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414774576 428401134 /nfs/dbraw/zinc/40/11/34/428401134.db2.gz YKWANDCTSSRAOB-CALCHBBNSA-N 2 1 300.446 2.907 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000414771782 428401610 /nfs/dbraw/zinc/40/16/10/428401610.db2.gz AOIXCBJBHALXKV-ZWKOTPCHSA-N 2 1 318.461 2.533 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](CCSCc2ccccc2)CC12CCOCC2 ZINC000414790481 428414277 /nfs/dbraw/zinc/41/42/77/428414277.db2.gz ZXEVQIMCCXHNCX-KRWDZBQOSA-N 2 1 320.502 2.607 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCn2ccnc2)cc1F ZINC000378466563 428403178 /nfs/dbraw/zinc/40/31/78/428403178.db2.gz KUFWGCJUDZRWNY-CYBMUJFWSA-N 3 1 313.380 2.867 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414778563 428403653 /nfs/dbraw/zinc/40/36/53/428403653.db2.gz JCMGGNQXVUGYGD-CABCVRRESA-N 2 1 322.522 2.811 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccc(F)cc2Cl)CC12CCOCC2 ZINC000414777319 428404118 /nfs/dbraw/zinc/40/41/18/428404118.db2.gz IBAFYAOEBZALPG-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(F)cc2Cl)CC12CCOCC2 ZINC000414777319 428404125 /nfs/dbraw/zinc/40/41/25/428404125.db2.gz IBAFYAOEBZALPG-CYBMUJFWSA-N 2 1 312.816 2.666 20 0 DFADMP c1cnc(Oc2ccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)cn1 ZINC000414775436 428404246 /nfs/dbraw/zinc/40/42/46/428404246.db2.gz ZZQOYQXVFPZWAD-CALCHBBNSA-N 2 1 324.428 2.700 20 0 DFADMP C[C@@H](CC[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775724 428404968 /nfs/dbraw/zinc/40/49/68/428404968.db2.gz GNGDJFPAYZTOCO-FUHWJXTLSA-N 2 1 302.462 2.868 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1OC ZINC000414784886 428406357 /nfs/dbraw/zinc/40/63/57/428406357.db2.gz RSCUHGWXTARQPZ-JKSUJKDBSA-N 2 1 318.461 2.834 20 0 DFADMP C[C@@H](CCc1ccccc1)C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414784110 428408294 /nfs/dbraw/zinc/40/82/94/428408294.db2.gz QUBZYKVLJLFSPL-PKOBYXMFSA-N 2 1 316.489 2.943 20 0 DFADMP c1cn(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414787741 428410699 /nfs/dbraw/zinc/41/06/99/428410699.db2.gz VXWFQVAMNWDGGE-IRXDYDNUSA-N 2 1 310.445 2.694 20 0 DFADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414786828 428410726 /nfs/dbraw/zinc/41/07/26/428410726.db2.gz UYJSNZVJAACAOH-QWHCGFSZSA-N 2 1 313.367 2.922 20 0 DFADMP CC[C@@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414786292 428411178 /nfs/dbraw/zinc/41/11/78/428411178.db2.gz UMRZBGBLBPWKOV-WMZOPIPTSA-N 2 1 302.462 2.868 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000347026995 428412461 /nfs/dbraw/zinc/41/24/61/428412461.db2.gz QNYPSZGVNZKXSZ-XUWVNRHRSA-N 2 1 311.514 2.636 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790099 428412763 /nfs/dbraw/zinc/41/27/63/428412763.db2.gz ZLEDZNBCYRDCIR-GJZGRUSLSA-N 2 1 304.434 2.525 20 0 DFADMP COc1cc(C[NH2+]C[C@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000414796197 428412984 /nfs/dbraw/zinc/41/29/84/428412984.db2.gz NVMNXJCSSLNJJJ-LBPRGKRZSA-N 2 1 320.355 2.709 20 0 DFADMP C[NH2+]C[C@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000347029672 428413068 /nfs/dbraw/zinc/41/30/68/428413068.db2.gz XFLSCUNMTCTSTP-GOSISDBHSA-N 2 1 303.494 2.686 20 0 DFADMP CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414675536 428372070 /nfs/dbraw/zinc/37/20/70/428372070.db2.gz TYLVUFNYBWVPMB-ZIAGYGMSSA-N 2 1 314.433 2.545 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](C)Cc2ccc(Br)o2)CC[NH2+]1 ZINC000414683232 428373049 /nfs/dbraw/zinc/37/30/49/428373049.db2.gz ZRFFZFLHJUJRAQ-QWRGUYRKSA-N 2 1 301.228 2.862 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414680125 428373967 /nfs/dbraw/zinc/37/39/67/428373967.db2.gz SQPZRDHHCJXAAI-HOTGVXAUSA-N 2 1 303.450 2.562 20 0 DFADMP CC[N@H+](Cc1ccc(OC)c(OC)c1)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414685149 428377194 /nfs/dbraw/zinc/37/71/94/428377194.db2.gz YEFHZCFRYKHPRR-ZBFHGGJFSA-N 2 1 306.450 2.914 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC[NH2+]1 ZINC000414692776 428378182 /nfs/dbraw/zinc/37/81/82/428378182.db2.gz LQHKWOACJQAWPG-CEXWTWQISA-N 3 1 307.526 2.963 20 0 DFADMP COCCOCC[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414695921 428379610 /nfs/dbraw/zinc/37/96/10/428379610.db2.gz ADXNHKMIVYLYFM-IEBWSBKVSA-N 2 1 320.477 2.540 20 0 DFADMP CCC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)C[C@H]1COc2ccccc2O1 ZINC000414703733 428380384 /nfs/dbraw/zinc/38/03/84/428380384.db2.gz LVGJKELGKFQMBW-ZACQAIPSSA-N 2 1 318.461 2.927 20 0 DFADMP CCN(C)C(=O)CC[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357091885 428382243 /nfs/dbraw/zinc/38/22/43/428382243.db2.gz XFVHSGZHKRBFGG-UHFFFAOYSA-N 2 1 323.525 2.689 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)CC[NH2+]1 ZINC000414714987 428383353 /nfs/dbraw/zinc/38/33/53/428383353.db2.gz WDXIMUJCAPGLOH-NZSAHSFTSA-N 2 1 302.462 2.708 20 0 DFADMP CC[N@H+](CC(=O)Nc1c(C)cccc1C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414713063 428383834 /nfs/dbraw/zinc/38/38/34/428383834.db2.gz UVGUAIDDQQVXAU-IRXDYDNUSA-N 2 1 317.477 2.952 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)C[C@@H](O)Cc1cccc(Cl)c1 ZINC000347076173 428433713 /nfs/dbraw/zinc/43/37/13/428433713.db2.gz BGDKVUUWGJAMDJ-KRWDZBQOSA-N 2 1 310.869 2.661 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@@H]3[C@H](C)[NH3+])sc2C1 ZINC000347074693 428434793 /nfs/dbraw/zinc/43/47/93/428434793.db2.gz TVKQGJJIWKXUNI-DZGCQCFKSA-N 2 1 322.522 2.611 20 0 DFADMP Cc1cc(C[NH2+][C@H](C[NH3+])C2CCCCC2)ccc1-n1cncn1 ZINC000414856425 428434887 /nfs/dbraw/zinc/43/48/87/428434887.db2.gz ZARMVACIOBHCAF-QGZVFWFLSA-N 2 1 313.449 2.573 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(CN3CCCC[C@@H]3[C@@H](C)[NH3+])sc2C1 ZINC000347074700 428435388 /nfs/dbraw/zinc/43/53/88/428435388.db2.gz TVKQGJJIWKXUNI-UKRRQHHQSA-N 2 1 322.522 2.611 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccccc2N2CCOCC2)CCCCCC1 ZINC000414858056 428435974 /nfs/dbraw/zinc/43/59/74/428435974.db2.gz HPHHEHRCQBECCS-UHFFFAOYSA-N 2 1 317.477 2.665 20 0 DFADMP Cn1cc(C[NH2+]CC2([NH3+])CCCCCC2)c(-c2cccnc2)n1 ZINC000414863173 428438003 /nfs/dbraw/zinc/43/80/03/428438003.db2.gz WZHPFLQTYYNIIZ-UHFFFAOYSA-N 2 1 313.449 2.623 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000347087128 428439865 /nfs/dbraw/zinc/43/98/65/428439865.db2.gz DMUXJWOJNDQTBX-GFCCVEGCSA-N 2 1 304.825 2.521 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(-c2ccccc2Cl)n1 ZINC000347087128 428439868 /nfs/dbraw/zinc/43/98/68/428439868.db2.gz DMUXJWOJNDQTBX-GFCCVEGCSA-N 2 1 304.825 2.521 20 0 DFADMP Cn1cc(C[NH2+]CC2([NH3+])CCC2)c(-c2ccccc2Cl)n1 ZINC000414879213 428440374 /nfs/dbraw/zinc/44/03/74/428440374.db2.gz IDRGATYTWBIRDN-UHFFFAOYSA-N 2 1 304.825 2.712 20 0 DFADMP Fc1ccc(Br)c(C[NH2+][C@@H]2CCc3[nH]cnc3C2)c1 ZINC000353237506 428444517 /nfs/dbraw/zinc/44/45/17/428444517.db2.gz FJKUPFDPYJOMDW-LLVKDONJSA-N 2 1 324.197 2.958 20 0 DFADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Br)c(Cl)c1)C1CC1 ZINC000414887513 428448016 /nfs/dbraw/zinc/44/80/16/428448016.db2.gz IXQLTDZHWVHPNM-LBPRGKRZSA-N 2 1 303.631 2.929 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H]3CCO[C@@H](C)C3)sc2C1 ZINC000378651186 428448685 /nfs/dbraw/zinc/44/86/85/428448685.db2.gz RCFSSPGPCPFIQN-QWHCGFSZSA-N 2 1 309.479 2.567 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H]3CCO[C@@H](C)C3)sc2C1 ZINC000378651186 428448689 /nfs/dbraw/zinc/44/86/89/428448689.db2.gz RCFSSPGPCPFIQN-QWHCGFSZSA-N 2 1 309.479 2.567 20 0 DFADMP Clc1ccc(-n2cc(C[NH2+]CC[C@H]3CCC[NH2+]3)cn2)cc1 ZINC000414906308 428452773 /nfs/dbraw/zinc/45/27/73/428452773.db2.gz PHQXBOLQZYWWDZ-OAHLLOKOSA-N 2 1 304.825 2.757 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000353253084 428453495 /nfs/dbraw/zinc/45/34/95/428453495.db2.gz KMWRNDAEMNTGED-OAHLLOKOSA-N 2 1 313.445 2.512 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000353253084 428453500 /nfs/dbraw/zinc/45/35/00/428453500.db2.gz KMWRNDAEMNTGED-OAHLLOKOSA-N 2 1 313.445 2.512 20 0 DFADMP NCC[N@H+](CCO)CCCCc1ccc(Cl)c(Cl)c1 ZINC000414914462 428455660 /nfs/dbraw/zinc/45/56/60/428455660.db2.gz OPZQESZJVZCULP-UHFFFAOYSA-N 2 1 305.249 2.569 20 0 DFADMP NCC[N@@H+](CCO)CCCCc1ccc(Cl)c(Cl)c1 ZINC000414914462 428455665 /nfs/dbraw/zinc/45/56/65/428455665.db2.gz OPZQESZJVZCULP-UHFFFAOYSA-N 2 1 305.249 2.569 20 0 DFADMP C[C@]1(C[NH2+]C2CCN(Cc3ccccc3)CC2)CCC[NH2+]C1 ZINC000414920378 428457450 /nfs/dbraw/zinc/45/74/50/428457450.db2.gz ZGFJWVDVVCVDPP-IBGZPJMESA-N 2 1 301.478 2.630 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000357258466 428458643 /nfs/dbraw/zinc/45/86/43/428458643.db2.gz QGLURXLKUVFQNU-UHFFFAOYSA-N 2 1 318.421 2.883 20 0 DFADMP COc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000372541677 428460008 /nfs/dbraw/zinc/46/00/08/428460008.db2.gz ACFSAVXLOHOERH-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c(OC)c1 ZINC000372541677 428460014 /nfs/dbraw/zinc/46/00/14/428460014.db2.gz ACFSAVXLOHOERH-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414924246 428461196 /nfs/dbraw/zinc/46/11/96/428461196.db2.gz IMPLCBNKHAHOTI-IMJJTQAJSA-N 2 1 306.450 2.613 20 0 DFADMP COc1cccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1OC ZINC000372546021 428461574 /nfs/dbraw/zinc/46/15/74/428461574.db2.gz QIGJWIBOJFOJMS-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1OC ZINC000372546021 428461578 /nfs/dbraw/zinc/46/15/78/428461578.db2.gz QIGJWIBOJFOJMS-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[NH2+][C@@H]1C ZINC000414936671 428462843 /nfs/dbraw/zinc/46/28/43/428462843.db2.gz DBVFCUBNAPPEBF-BMFZPTHFSA-N 2 1 306.450 2.755 20 0 DFADMP COc1cc(C[NH2+]C2(C)CC[NH2+]CC2)c(SC)cc1OC ZINC000414933904 428463506 /nfs/dbraw/zinc/46/35/06/428463506.db2.gz DZPSUPVHAGVCGO-UHFFFAOYSA-N 2 1 310.463 2.657 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[NH2+]1 ZINC000414946744 428465746 /nfs/dbraw/zinc/46/57/46/428465746.db2.gz KBQGCEZAQMZDOD-DOTOQJQBSA-N 2 1 311.429 2.891 20 0 DFADMP CCOc1c(Cl)cc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OC ZINC000414945718 428466375 /nfs/dbraw/zinc/46/63/75/428466375.db2.gz ISWPZENGYNIWOW-YPMHNXCESA-N 2 1 312.841 2.977 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2ccccn2)CC[NH2+]1 ZINC000414946747 428466598 /nfs/dbraw/zinc/46/65/98/428466598.db2.gz KBQGCEZAQMZDOD-WBVHZDCISA-N 2 1 311.429 2.891 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CC[NH2+][C@@H](C)C2)cc(Cl)c1OC ZINC000414953442 428468070 /nfs/dbraw/zinc/46/80/70/428468070.db2.gz RPYGGAWKLSFTNS-WCQYABFASA-N 2 1 312.841 2.977 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1 ZINC000414953241 428469052 /nfs/dbraw/zinc/46/90/52/428469052.db2.gz JJVYURCSTUFQGD-ZANVPECISA-N 2 1 301.203 2.676 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC000414948594 428469128 /nfs/dbraw/zinc/46/91/28/428469128.db2.gz MJHJXWCXSZZLOD-JQWIXIFHSA-N 2 1 320.330 2.997 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC[NH2+]1 ZINC000414948541 428469220 /nfs/dbraw/zinc/46/92/20/428469220.db2.gz MFYAXRYWKCDXIQ-YHUYVZNPSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC[NH2+]1 ZINC000414948541 428469224 /nfs/dbraw/zinc/46/92/24/428469224.db2.gz MFYAXRYWKCDXIQ-YHUYVZNPSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CC[NH2+]1 ZINC000414948541 428469228 /nfs/dbraw/zinc/46/92/28/428469228.db2.gz MFYAXRYWKCDXIQ-YHUYVZNPSA-N 3 1 313.489 2.627 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000414802718 428415102 /nfs/dbraw/zinc/41/51/02/428415102.db2.gz MXUTYAJQTUEOTG-GFCCVEGCSA-N 2 1 303.631 2.929 20 0 DFADMP [NH3+]C[C@@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414797230 428416581 /nfs/dbraw/zinc/41/65/81/428416581.db2.gz IKKPYGKRTGXRKT-QGZVFWFLSA-N 2 1 307.869 2.631 20 0 DFADMP FC(F)(F)CN1CCC([NH2+]CC[NH2+]C2CCCCCC2)CC1 ZINC000414801476 428417001 /nfs/dbraw/zinc/41/70/01/428417001.db2.gz HCAIARSVYNHLCI-UHFFFAOYSA-N 2 1 321.431 2.915 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)[C@]12C[NH2+]C[C@H]1CCCC2 ZINC000357172559 428418289 /nfs/dbraw/zinc/41/82/89/428418289.db2.gz IMDNRSFULBGEIZ-ZHALLVOQSA-N 2 1 321.509 2.537 20 0 DFADMP C[N@H+]1CC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000378523388 428418380 /nfs/dbraw/zinc/41/83/80/428418380.db2.gz ZWBWRNJNVSHWLU-WTGUMLROSA-N 3 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000378523388 428418381 /nfs/dbraw/zinc/41/83/81/428418381.db2.gz ZWBWRNJNVSHWLU-WTGUMLROSA-N 2 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)[C@@H]1c1ccccc1 ZINC000378523388 428418384 /nfs/dbraw/zinc/41/83/84/428418384.db2.gz ZWBWRNJNVSHWLU-WTGUMLROSA-N 2 1 313.489 2.896 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)CC[NH2+]1 ZINC000414948597 428469737 /nfs/dbraw/zinc/46/97/37/428469737.db2.gz MJHJXWCXSZZLOD-ZYHUDNBSSA-N 2 1 320.330 2.997 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000360863041 428469752 /nfs/dbraw/zinc/46/97/52/428469752.db2.gz YQIQNLJNNWRWAO-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000360863041 428469758 /nfs/dbraw/zinc/46/97/58/428469758.db2.gz YQIQNLJNNWRWAO-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000360863041 428469764 /nfs/dbraw/zinc/46/97/64/428469764.db2.gz YQIQNLJNNWRWAO-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000360863041 428469769 /nfs/dbraw/zinc/46/97/69/428469769.db2.gz YQIQNLJNNWRWAO-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000360863041 428469773 /nfs/dbraw/zinc/46/97/73/428469773.db2.gz YQIQNLJNNWRWAO-RLLQIKCJSA-N 2 1 315.505 2.971 20 0 DFADMP OC1(C[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)CCC1 ZINC000342373880 428423664 /nfs/dbraw/zinc/42/36/64/428423664.db2.gz KXIKOGPXFMOEAZ-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP OC1(C[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)CCC1 ZINC000342373880 428423669 /nfs/dbraw/zinc/42/36/69/428423669.db2.gz KXIKOGPXFMOEAZ-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP OC1(C[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)CCC1 ZINC000342373880 428423672 /nfs/dbraw/zinc/42/36/72/428423672.db2.gz KXIKOGPXFMOEAZ-LJQANCHMSA-N 2 1 314.473 2.890 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414826476 428424018 /nfs/dbraw/zinc/42/40/18/428424018.db2.gz FOAHJJQCWLDWKN-ZIFCJYIRSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414826476 428424024 /nfs/dbraw/zinc/42/40/24/428424024.db2.gz FOAHJJQCWLDWKN-ZIFCJYIRSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]Cc1nc2ccc(Cl)cc2n1C)[C@@H]1CCC[NH2+]C1 ZINC000414823091 428425081 /nfs/dbraw/zinc/42/50/81/428425081.db2.gz AVOJEWYITCHXBM-NWDGAFQWSA-N 2 1 306.841 2.704 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)ccc1OC ZINC000347053550 428427046 /nfs/dbraw/zinc/42/70/46/428427046.db2.gz SNMMOPQDOHPRLF-ZBFHGGJFSA-N 2 1 306.450 2.791 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414831557 428427952 /nfs/dbraw/zinc/42/79/52/428427952.db2.gz CLUQYRGEVINKOU-HZPDHXFCSA-N 2 1 308.466 2.988 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NCC1([NH3+])CCCCC1 ZINC000414837892 428429852 /nfs/dbraw/zinc/42/98/52/428429852.db2.gz HHNLLOBCATXBNO-WMZOPIPTSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CC1([NH3+])CCCCC1 ZINC000414837892 428429856 /nfs/dbraw/zinc/42/98/56/428429856.db2.gz HHNLLOBCATXBNO-WMZOPIPTSA-N 2 1 301.478 2.758 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCC(C)C ZINC000347056604 428430347 /nfs/dbraw/zinc/43/03/47/428430347.db2.gz VOTXXZCSEVLXJE-HOCLYGCPSA-N 2 1 306.450 2.899 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])[C@@H](C)C2)cc1OCC(C)C ZINC000347056604 428430350 /nfs/dbraw/zinc/43/03/50/428430350.db2.gz VOTXXZCSEVLXJE-HOCLYGCPSA-N 2 1 306.450 2.899 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844016 428430694 /nfs/dbraw/zinc/43/06/94/428430694.db2.gz KKBPXWHLPDVWAX-GXTWGEPZSA-N 2 1 309.841 2.707 20 0 DFADMP C[NH+](C)C[C@H]1CN(c2cc[nH+]c3ccc(Cl)cc32)CCO1 ZINC000172151203 273801979 /nfs/dbraw/zinc/80/19/79/273801979.db2.gz SPDIGXYHXXVCNW-ZDUSSCGKSA-N 2 1 305.809 2.655 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000353309722 428479981 /nfs/dbraw/zinc/47/99/81/428479981.db2.gz DOGHFMQNEZDBNS-UYAOXDASSA-N 2 1 314.473 2.936 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000353309722 428479987 /nfs/dbraw/zinc/47/99/87/428479987.db2.gz DOGHFMQNEZDBNS-UYAOXDASSA-N 2 1 314.473 2.936 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@@H]2CCC[C@H]2CNC(=O)OC(C)(C)C)CC1 ZINC000392201804 428480314 /nfs/dbraw/zinc/48/03/14/428480314.db2.gz JOGUESHMPXDKFH-JKSUJKDBSA-N 2 1 323.481 2.531 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)C(C)(C)c1ccccc1 ZINC000360889820 428481134 /nfs/dbraw/zinc/48/11/34/428481134.db2.gz VCTJAOAWJKFUJO-SZMVWBNQSA-N 2 1 302.462 2.806 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)C(C)(C)c1ccccc1 ZINC000360889820 428481140 /nfs/dbraw/zinc/48/11/40/428481140.db2.gz VCTJAOAWJKFUJO-SZMVWBNQSA-N 2 1 302.462 2.806 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cnc(-c2ccccn2)s1 ZINC000414983478 428481187 /nfs/dbraw/zinc/48/11/87/428481187.db2.gz ZRVVFOBUMHLVDD-AWEZNQCLSA-N 2 1 302.447 2.683 20 0 DFADMP c1ccc(OCCCCC[NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1 ZINC000372671980 428485008 /nfs/dbraw/zinc/48/50/08/428485008.db2.gz FUQHFUHNIMSMKB-IEBWSBKVSA-N 2 1 318.461 2.689 20 0 DFADMP c1ccc(OCCCCC[NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)cc1 ZINC000372671980 428485012 /nfs/dbraw/zinc/48/50/12/428485012.db2.gz FUQHFUHNIMSMKB-IEBWSBKVSA-N 2 1 318.461 2.689 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000414998655 428485641 /nfs/dbraw/zinc/48/56/41/428485641.db2.gz IJONKGLILKSGTK-NSHDSACASA-N 2 1 324.400 2.540 20 0 DFADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000393922056 428487470 /nfs/dbraw/zinc/48/74/70/428487470.db2.gz AYJNZRQTCFCPLN-GJZGRUSLSA-N 2 1 313.486 2.611 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+][C@H](C)[C@@H](C)[NH3+])cc2)cs1 ZINC000415019157 428490855 /nfs/dbraw/zinc/49/08/55/428490855.db2.gz ROKAOKXDJHXKAR-VXGBXAGGSA-N 2 1 305.447 2.856 20 0 DFADMP CC[N@@H+](CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000360922033 428492286 /nfs/dbraw/zinc/49/22/86/428492286.db2.gz LMDZJKXCJFTFBP-MJGOQNOKSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000360922033 428492291 /nfs/dbraw/zinc/49/22/91/428492291.db2.gz LMDZJKXCJFTFBP-MJGOQNOKSA-N 2 1 318.509 2.612 20 0 DFADMP CC[NH+](CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@H]1C)C(C)C ZINC000360922033 428492295 /nfs/dbraw/zinc/49/22/95/428492295.db2.gz LMDZJKXCJFTFBP-MJGOQNOKSA-N 2 1 318.509 2.612 20 0 DFADMP c1ccc(Oc2cccc(C[NH2+]C[C@H]3C[NH2+]CCCO3)c2)cc1 ZINC000415037891 428494941 /nfs/dbraw/zinc/49/49/41/428494941.db2.gz LMKFLHVKKFMLCO-LJQANCHMSA-N 2 1 312.413 2.947 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035641 428495279 /nfs/dbraw/zinc/49/52/79/428495279.db2.gz DXYSCHHNODEASE-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036697 428495816 /nfs/dbraw/zinc/49/58/16/428495816.db2.gz GCNRHWRLTDZIAS-FUHWJXTLSA-N 2 1 301.434 2.609 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)cc2)cn1 ZINC000415035640 428495993 /nfs/dbraw/zinc/49/59/93/428495993.db2.gz DXYSCHHNODEASE-IEBWSBKVSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000360932929 428496072 /nfs/dbraw/zinc/49/60/72/428496072.db2.gz HSWPBTVOYPRVDJ-RBSFLKMASA-N 2 1 304.482 2.568 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000360932929 428496078 /nfs/dbraw/zinc/49/60/78/428496078.db2.gz HSWPBTVOYPRVDJ-RBSFLKMASA-N 2 1 304.482 2.568 20 0 DFADMP CCN(CC)c1ncc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415052687 428500146 /nfs/dbraw/zinc/50/01/46/428500146.db2.gz NLWBPOBMUGVTDG-GOEBONIOSA-N 2 1 322.522 2.953 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)s1 ZINC000415052687 428500151 /nfs/dbraw/zinc/50/01/51/428500151.db2.gz NLWBPOBMUGVTDG-GOEBONIOSA-N 2 1 322.522 2.953 20 0 DFADMP CCC[N@H+](Cc1ccc(OC)c(OC)c1OC)C1CC[NH2+]CC1 ZINC000347226218 428500326 /nfs/dbraw/zinc/50/03/26/428500326.db2.gz VTZCXRBCKDIZRY-UHFFFAOYSA-N 2 1 322.449 2.676 20 0 DFADMP CCC[N@@H+](Cc1ccc(OC)c(OC)c1OC)C1CC[NH2+]CC1 ZINC000347226218 428500331 /nfs/dbraw/zinc/50/03/31/428500331.db2.gz VTZCXRBCKDIZRY-UHFFFAOYSA-N 2 1 322.449 2.676 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000342994881 428500376 /nfs/dbraw/zinc/50/03/76/428500376.db2.gz AIRYTKHQARIYTL-FUHWJXTLSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)cn2)cc1 ZINC000342994881 428500383 /nfs/dbraw/zinc/50/03/83/428500383.db2.gz AIRYTKHQARIYTL-FUHWJXTLSA-N 2 1 314.408 2.728 20 0 DFADMP COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056147 428502389 /nfs/dbraw/zinc/50/23/89/428502389.db2.gz ROGQKYCLRYDQKH-PBHICJAKSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415056147 428502396 /nfs/dbraw/zinc/50/23/96/428502396.db2.gz ROGQKYCLRYDQKH-PBHICJAKSA-N 2 1 304.434 2.668 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cn1 ZINC000415056593 428503398 /nfs/dbraw/zinc/50/33/98/428503398.db2.gz SMQAYDRNMHFTMD-SJORKVTESA-N 2 1 302.466 2.502 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH2+][C@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396698510 428503959 /nfs/dbraw/zinc/50/39/59/428503959.db2.gz KHZWGJLEEDMONN-PBWTXFEYSA-N 2 1 301.478 2.627 20 0 DFADMP CCCOc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC ZINC000415057450 428505189 /nfs/dbraw/zinc/50/51/89/428505189.db2.gz SVRZXWPBUWARMF-RDTXWAMCSA-N 2 1 306.450 2.901 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)cc1Br ZINC000415061542 428505782 /nfs/dbraw/zinc/50/57/82/428505782.db2.gz YJHGDQIGJWZRPZ-ZDUSSCGKSA-N 2 1 315.255 2.921 20 0 DFADMP COc1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(OC)c1OC ZINC000397251619 428506085 /nfs/dbraw/zinc/50/60/85/428506085.db2.gz DRMKEVGKNZBCQX-NFAWXSAZSA-N 2 1 322.449 2.518 20 0 DFADMP COc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)cc(OC)c1OC ZINC000397251619 428506091 /nfs/dbraw/zinc/50/60/91/428506091.db2.gz DRMKEVGKNZBCQX-NFAWXSAZSA-N 2 1 322.449 2.518 20 0 DFADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396712 428509371 /nfs/dbraw/zinc/50/93/71/428509371.db2.gz LOCKJTDZRNDLKS-KYHPRHEASA-N 2 1 317.477 2.511 20 0 DFADMP C[C@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396712 428509377 /nfs/dbraw/zinc/50/93/77/428509377.db2.gz LOCKJTDZRNDLKS-KYHPRHEASA-N 2 1 317.477 2.511 20 0 DFADMP CC(C)N(C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000397377452 428510224 /nfs/dbraw/zinc/51/02/24/428510224.db2.gz DRGJAIVNWWKCHH-IXDOHACOSA-N 2 1 317.477 2.733 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C)c1ccccc1 ZINC000397377452 428510229 /nfs/dbraw/zinc/51/02/29/428510229.db2.gz DRGJAIVNWWKCHH-IXDOHACOSA-N 2 1 317.477 2.733 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1)C1CCCC1 ZINC000415069408 428510766 /nfs/dbraw/zinc/51/07/66/428510766.db2.gz SMKNKCSATSZYRK-RTBURBONSA-N 2 1 318.461 2.852 20 0 DFADMP CNC(=O)c1ccc(C[N@@H+](C)CCCc2ccc(C)nc2)cc1 ZINC000353381778 428511123 /nfs/dbraw/zinc/51/11/23/428511123.db2.gz OPGAJDXOVRQVNR-UHFFFAOYSA-N 2 1 311.429 2.814 20 0 DFADMP C[N@@H+](CCN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1)C1CCCC1 ZINC000415079787 428513633 /nfs/dbraw/zinc/51/36/33/428513633.db2.gz KPDWHCUJOMGHEL-MJGOQNOKSA-N 2 1 301.478 2.944 20 0 DFADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000353386189 428513870 /nfs/dbraw/zinc/51/38/70/428513870.db2.gz LPVFAOHKCFETMI-KBAYOESNSA-N 2 1 306.425 2.935 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCOC[C@H]3CCCO3)CC[NH2+]2)cc1 ZINC000415088338 428516075 /nfs/dbraw/zinc/51/60/75/428516075.db2.gz LVDPPUQPVFQDEP-OTWHNJEPSA-N 2 1 318.461 2.655 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)ccc1Cl ZINC000415100831 428517518 /nfs/dbraw/zinc/51/75/18/428517518.db2.gz AOAYLSUGSVMHMV-HNNXBMFYSA-N 2 1 319.840 2.536 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415100914 428517784 /nfs/dbraw/zinc/51/77/84/428517784.db2.gz AUJOYUJRZUCUGT-HIFRSBDPSA-N 2 1 314.433 2.502 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000415101999 428522091 /nfs/dbraw/zinc/52/20/91/428522091.db2.gz CANJJVSOIXCION-GDBMZVCRSA-N 2 1 306.450 2.899 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(Cn3ccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000353402460 428522487 /nfs/dbraw/zinc/52/24/87/428522487.db2.gz JACXNCVHVAXUKE-SLFFLAALSA-N 2 1 324.472 2.894 20 0 DFADMP CCCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC ZINC000415129412 428532048 /nfs/dbraw/zinc/53/20/48/428532048.db2.gz PJMJXERAFRBDFU-ZBFHGGJFSA-N 2 1 306.450 2.901 20 0 DFADMP CCCOc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415118724 428527338 /nfs/dbraw/zinc/52/73/38/428527338.db2.gz DWUCYGUURZDCJQ-GOEBONIOSA-N 2 1 306.450 2.901 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(-c3ccccc3)s2)CCCO1 ZINC000415115657 428527873 /nfs/dbraw/zinc/52/78/73/428527873.db2.gz VDBBCEPSJKVTDQ-HNNXBMFYSA-N 2 1 302.443 2.965 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(-c3ccccc3)s2)CCCO1 ZINC000415115657 428527877 /nfs/dbraw/zinc/52/78/77/428527877.db2.gz VDBBCEPSJKVTDQ-HNNXBMFYSA-N 2 1 302.443 2.965 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2c(F)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000415131057 428532084 /nfs/dbraw/zinc/53/20/84/428532084.db2.gz RUQSZKMHBRSRRP-HUUCEWRRSA-N 2 1 305.441 2.843 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2c(F)cccc2N2CCCC2)C[C@H]1C[NH3+] ZINC000415131057 428532087 /nfs/dbraw/zinc/53/20/87/428532087.db2.gz RUQSZKMHBRSRRP-HUUCEWRRSA-N 2 1 305.441 2.843 20 0 DFADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000415125490 428528850 /nfs/dbraw/zinc/52/88/50/428528850.db2.gz LHDQSIJLROXIFR-BFYDXBDKSA-N 2 1 305.470 2.590 20 0 DFADMP CC[C@@H](C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415126440 428528911 /nfs/dbraw/zinc/52/89/11/428528911.db2.gz MDKHXFYVQCZCJE-MAUKXSAKSA-N 2 1 313.449 2.568 20 0 DFADMP C[NH+]1CCC([NH2+][C@H]2CCc3cc(Br)ccc3C2)CC1 ZINC000110820628 273870121 /nfs/dbraw/zinc/87/01/21/273870121.db2.gz DRUDOKHLOMJDNU-INIZCTEOSA-N 2 1 323.278 2.990 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000390627117 428472331 /nfs/dbraw/zinc/47/23/31/428472331.db2.gz MWIVJUUMIUHLMR-HYVNUMGLSA-N 2 1 316.445 2.953 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+]2CCCC[C@H]12 ZINC000390627117 428472337 /nfs/dbraw/zinc/47/23/37/428472337.db2.gz MWIVJUUMIUHLMR-HYVNUMGLSA-N 2 1 316.445 2.953 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)cc1OCC(C)C ZINC000414953716 428472997 /nfs/dbraw/zinc/47/29/97/428472997.db2.gz RUXQWRNXVWNIDI-ZBFHGGJFSA-N 2 1 306.450 2.960 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347165017 428475485 /nfs/dbraw/zinc/47/54/85/428475485.db2.gz JNDWFHLCDBQUJC-LBPRGKRZSA-N 2 1 304.825 2.771 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000347165017 428475491 /nfs/dbraw/zinc/47/54/91/428475491.db2.gz JNDWFHLCDBQUJC-LBPRGKRZSA-N 2 1 304.825 2.771 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)cn1 ZINC000391007027 428477020 /nfs/dbraw/zinc/47/70/20/428477020.db2.gz IJGIVKUIQSABGI-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000358110576 428580510 /nfs/dbraw/zinc/58/05/10/428580510.db2.gz KNCBUJHRUZGCQF-YVSFHVDLSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](NC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000358110576 428580519 /nfs/dbraw/zinc/58/05/19/428580519.db2.gz KNCBUJHRUZGCQF-YVSFHVDLSA-N 2 1 321.509 2.628 20 0 DFADMP Cc1cc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)ccc1Cl ZINC000415133718 428532537 /nfs/dbraw/zinc/53/25/37/428532537.db2.gz CWRJJYIKPOCYTQ-WBVHZDCISA-N 2 1 320.864 2.849 20 0 DFADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3ccc4ccccc4c3)C2)nn1 ZINC000415128529 428532656 /nfs/dbraw/zinc/53/26/56/428532656.db2.gz OGKXNIZCJNRGRW-IBGZPJMESA-N 2 1 321.428 2.727 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000347295103 428532645 /nfs/dbraw/zinc/53/26/45/428532645.db2.gz ANCUJZXDXIQHLN-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CC2CCN(C(=O)C(C)(C)C)CC2)CC1 ZINC000347295103 428532647 /nfs/dbraw/zinc/53/26/47/428532647.db2.gz ANCUJZXDXIQHLN-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP Fc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)c(Cl)c1 ZINC000415141553 428536473 /nfs/dbraw/zinc/53/64/73/428536473.db2.gz PPVZARNTJKJFFE-ZBFHGGJFSA-N 2 1 324.827 2.680 20 0 DFADMP CC(C)[C@H](C(=O)NCC[C@@H](C)[N@@H+](C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399696521 428541334 /nfs/dbraw/zinc/54/13/34/428541334.db2.gz ZOWSUWDUBDUISO-NUJGCVRESA-N 2 1 319.493 2.633 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000347315587 428542599 /nfs/dbraw/zinc/54/25/99/428542599.db2.gz QDEVFZWRDMJIJH-BBWFWOEESA-N 2 1 308.491 2.630 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000347315587 428542605 /nfs/dbraw/zinc/54/26/05/428542605.db2.gz QDEVFZWRDMJIJH-BBWFWOEESA-N 2 1 308.491 2.630 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000347315587 428542611 /nfs/dbraw/zinc/54/26/11/428542611.db2.gz QDEVFZWRDMJIJH-BBWFWOEESA-N 2 1 308.491 2.630 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000353452041 428543012 /nfs/dbraw/zinc/54/30/12/428543012.db2.gz WAMAHOIKLOUCNR-ZACQAIPSSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@H](C)[C@H]1CCC[NH2+]1 ZINC000400454637 428545660 /nfs/dbraw/zinc/54/56/60/428545660.db2.gz RZRALHZIDPUAQX-QRQLOZEOSA-N 2 1 303.494 2.873 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@@H]1CCC[NH2+]1 ZINC000400478991 428546232 /nfs/dbraw/zinc/54/62/32/428546232.db2.gz VSEHOTSKVPOMNP-DKKFBQAASA-N 2 1 301.478 2.770 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000400548662 428548576 /nfs/dbraw/zinc/54/85/76/428548576.db2.gz MYNLEPWIJCAVJS-GURQWTFNSA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCC[C@H]2CCOC2)cc1 ZINC000400548662 428548579 /nfs/dbraw/zinc/54/85/79/428548579.db2.gz MYNLEPWIJCAVJS-GURQWTFNSA-N 2 1 314.473 2.913 20 0 DFADMP C[C@@H]([NH2+]Cc1cc(Br)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000400728845 428548837 /nfs/dbraw/zinc/54/88/37/428548837.db2.gz IEKKEHBOHZKTBU-NXEZZACHSA-N 2 1 301.203 2.676 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)CC2)cc1 ZINC000401045800 428550297 /nfs/dbraw/zinc/55/02/97/428550297.db2.gz VRTLFVGTXOZXHA-CMKODMSKSA-N 3 1 313.489 2.629 20 0 DFADMP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2C[N@@H+]3CCC[C@H]3CO2)CC1 ZINC000373345055 428553792 /nfs/dbraw/zinc/55/37/92/428553792.db2.gz DHCZSAVHKNTHQA-PFSRBDOWSA-N 2 1 320.399 2.808 20 0 DFADMP FC(F)(F)C1CCC(C[NH2+]C[C@@H]2C[N@H+]3CCC[C@H]3CO2)CC1 ZINC000373345055 428553796 /nfs/dbraw/zinc/55/37/96/428553796.db2.gz DHCZSAVHKNTHQA-PFSRBDOWSA-N 2 1 320.399 2.808 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361365107 428559954 /nfs/dbraw/zinc/55/99/54/428559954.db2.gz ILBFNTCQHZLOFN-JENIJYKNSA-N 2 1 320.477 2.681 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361365107 428559958 /nfs/dbraw/zinc/55/99/58/428559958.db2.gz ILBFNTCQHZLOFN-JENIJYKNSA-N 2 1 320.477 2.681 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000353487660 428560158 /nfs/dbraw/zinc/56/01/58/428560158.db2.gz NBNLSICWCNLYGC-AYOQOUSVSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H](CO)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000353487660 428560164 /nfs/dbraw/zinc/56/01/64/428560164.db2.gz NBNLSICWCNLYGC-AYOQOUSVSA-N 2 1 302.462 2.648 20 0 DFADMP C[NH+](C)C1(CNC2CC[NH+](CCC(F)(F)F)CC2)CCCC1 ZINC000361339048 428560964 /nfs/dbraw/zinc/56/09/64/428560964.db2.gz KARJVOJILHRISG-UHFFFAOYSA-N 2 1 321.431 2.867 20 0 DFADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+]1CCCC[C@H]1C ZINC000357774835 428562486 /nfs/dbraw/zinc/56/24/86/428562486.db2.gz ZNGLYXQOMDMWHX-BRWVUGGUSA-N 2 1 309.498 2.630 20 0 DFADMP Cc1ccc(N2CCC([NH2+]Cc3ccnn3C(C)C)CC2)[nH+]c1 ZINC000373388519 428564355 /nfs/dbraw/zinc/56/43/55/428564355.db2.gz AHJJUSUCGVYBSV-UHFFFAOYSA-N 2 1 313.449 2.926 20 0 DFADMP CC(C[NH+](C(C)C)[C@@H]1CCOC1)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000361409489 428565024 /nfs/dbraw/zinc/56/50/24/428565024.db2.gz WDTRFMAUCTVLCF-QZTJIDSGSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@H]([NH3+])CCC(=O)N1C[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC000404326095 428566158 /nfs/dbraw/zinc/56/61/58/428566158.db2.gz VHVBCTWYEUJTLL-QAETUUGQSA-N 2 1 317.477 2.624 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC1CC[NH+](Cc2ccncc2)CC1 ZINC000353501409 428566993 /nfs/dbraw/zinc/56/69/93/428566993.db2.gz ZARGMXVMXJCLLK-KRWDZBQOSA-N 2 1 318.509 2.756 20 0 DFADMP CCc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404262216 428567106 /nfs/dbraw/zinc/56/71/06/428567106.db2.gz DWURSHHAHWKBBP-WMLDXEAASA-N 2 1 303.450 2.637 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])cc1 ZINC000404262216 428567112 /nfs/dbraw/zinc/56/71/12/428567112.db2.gz DWURSHHAHWKBBP-WMLDXEAASA-N 2 1 303.450 2.637 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1ccsc1C ZINC000353501459 428568609 /nfs/dbraw/zinc/56/86/09/428568609.db2.gz IPBVBBYQIUPSBV-QGZVFWFLSA-N 2 1 309.523 2.904 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C1CC1 ZINC000353509011 428570700 /nfs/dbraw/zinc/57/07/00/428570700.db2.gz IICYVWGMVHHIJI-VNTMZGSJSA-N 2 1 314.473 2.505 20 0 DFADMP CCC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccccn1 ZINC000358287045 428594702 /nfs/dbraw/zinc/59/47/02/428594702.db2.gz IGSJEJLEJKFGTE-IPMKNSEASA-N 2 1 317.477 2.890 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@@H]2CCC[C@@H]21 ZINC000353521581 428575061 /nfs/dbraw/zinc/57/50/61/428575061.db2.gz QFJBQZPJWJNYTJ-FHWLQOOXSA-N 2 1 310.445 2.835 20 0 DFADMP Cc1sccc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000353520638 428575683 /nfs/dbraw/zinc/57/56/83/428575683.db2.gz OEAIKHCQRRBTDV-CQSZACIVSA-N 2 1 307.507 2.657 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CC[NH2+][C@@H]2C(C)C)C1 ZINC000353526705 428578670 /nfs/dbraw/zinc/57/86/70/428578670.db2.gz RZYLJACTGVPNTB-BRWVUGGUSA-N 2 1 323.525 2.637 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)NC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000361838330 428598968 /nfs/dbraw/zinc/59/89/68/428598968.db2.gz SIBDEWJIUHUHBU-NCOADZHNSA-N 2 1 309.498 2.628 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000353575428 428602075 /nfs/dbraw/zinc/60/20/75/428602075.db2.gz ZZLOPBFEXMXUJR-KRWDZBQOSA-N 2 1 318.509 2.756 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC1CC[NH+](Cc2cccnc2)CC1 ZINC000353575428 428602076 /nfs/dbraw/zinc/60/20/76/428602076.db2.gz ZZLOPBFEXMXUJR-KRWDZBQOSA-N 2 1 318.509 2.756 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973953 428608381 /nfs/dbraw/zinc/60/83/81/428608381.db2.gz ZSPDAIPPYUHSOR-DNVCBOLYSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000361973953 428608386 /nfs/dbraw/zinc/60/83/86/428608386.db2.gz ZSPDAIPPYUHSOR-DNVCBOLYSA-N 2 1 305.510 2.856 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N(C)CCC[N@@H+](C)Cc1ccco1 ZINC000344038033 428615703 /nfs/dbraw/zinc/61/57/03/428615703.db2.gz YYIFGDNIOGNVIE-OAHLLOKOSA-N 2 1 323.481 2.727 20 0 DFADMP c1cc(CCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000373603311 428617389 /nfs/dbraw/zinc/61/73/89/428617389.db2.gz IUVMYYYWWNXFRJ-QZTJIDSGSA-N 2 1 300.446 2.771 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415900564 428619231 /nfs/dbraw/zinc/61/92/31/428619231.db2.gz UBIBYENDJACOBP-CQSZACIVSA-N 2 1 318.465 2.574 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1ccccc1C[NH2+]C ZINC000415908618 428621645 /nfs/dbraw/zinc/62/16/45/428621645.db2.gz DNWMTLXOQOQLEW-MRXNPFEDSA-N 2 1 318.465 2.792 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@@H](C[N@@H+](C)CC)C2)c1 ZINC000415909042 428621653 /nfs/dbraw/zinc/62/16/53/428621653.db2.gz RLBZMGHZMKHJII-INIZCTEOSA-N 2 1 318.465 2.602 20 0 DFADMP CCc1cccc(F)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000353615798 428623580 /nfs/dbraw/zinc/62/35/80/428623580.db2.gz LWLWGANYVXJWPS-HNNXBMFYSA-N 2 1 322.468 2.913 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]CCCc1ccc3c(c1)CCO3)CC2 ZINC000373642209 428627463 /nfs/dbraw/zinc/62/74/63/428627463.db2.gz DGWLJGDADBPLTC-INIZCTEOSA-N 2 1 311.429 2.603 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000415931351 428630901 /nfs/dbraw/zinc/63/09/01/428630901.db2.gz KVOPLNSOXIGGPW-DLBZAZTESA-N 2 1 316.449 2.544 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000415930732 428631282 /nfs/dbraw/zinc/63/12/82/428631282.db2.gz KSVLZLUWJLLPDF-AWEZNQCLSA-N 2 1 306.454 2.646 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000358349277 428595369 /nfs/dbraw/zinc/59/53/69/428595369.db2.gz DNLMNNXVYJPNBC-RYRKJORJSA-N 2 1 313.445 2.701 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2ccccc21 ZINC000358349277 428595373 /nfs/dbraw/zinc/59/53/73/428595373.db2.gz DNLMNNXVYJPNBC-RYRKJORJSA-N 2 1 313.445 2.701 20 0 DFADMP CC(C)c1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+][C@@H](C)C2)C1 ZINC000373513860 428595645 /nfs/dbraw/zinc/59/56/45/428595645.db2.gz HHNIFXXBGRXNBI-HRCADAONSA-N 2 1 318.465 2.558 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@H](Nc3cc[nH+]cc3C)[C@H](C)C2)s1 ZINC000373517499 428595952 /nfs/dbraw/zinc/59/59/52/428595952.db2.gz DALYNJZZLYKKDR-DYVFJYSZSA-N 2 1 316.474 2.899 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)cc1O ZINC000353651676 428638355 /nfs/dbraw/zinc/63/83/55/428638355.db2.gz DEBNZVNZDJDAFC-CABCVRRESA-N 2 1 322.449 2.552 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1O ZINC000353651676 428638362 /nfs/dbraw/zinc/63/83/62/428638362.db2.gz DEBNZVNZDJDAFC-CABCVRRESA-N 2 1 322.449 2.552 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000415971764 428638557 /nfs/dbraw/zinc/63/85/57/428638557.db2.gz KQANMKNJRKXIJT-WMLDXEAASA-N 2 1 318.465 2.743 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c1C ZINC000248000945 274089026 /nfs/dbraw/zinc/08/90/26/274089026.db2.gz KIUBRUKEUYCAGI-DOTOQJQBSA-N 2 1 303.450 2.623 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c1C ZINC000248000945 274089027 /nfs/dbraw/zinc/08/90/27/274089027.db2.gz KIUBRUKEUYCAGI-DOTOQJQBSA-N 2 1 303.450 2.623 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000373694119 428635326 /nfs/dbraw/zinc/63/53/26/428635326.db2.gz DSLBPIGPVSRDLA-UHFFFAOYSA-N 2 1 324.472 2.992 20 0 DFADMP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353668547 428650431 /nfs/dbraw/zinc/65/04/31/428650431.db2.gz OKEMFUPVRKSANY-DOTOQJQBSA-N 2 1 317.477 2.703 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353668547 428650435 /nfs/dbraw/zinc/65/04/35/428650435.db2.gz OKEMFUPVRKSANY-DOTOQJQBSA-N 2 1 317.477 2.703 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416001900 428646423 /nfs/dbraw/zinc/64/64/23/428646423.db2.gz CNMXUJQMCNVJQK-CYBMUJFWSA-N 2 1 304.438 2.532 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000353666187 428646908 /nfs/dbraw/zinc/64/69/08/428646908.db2.gz YNCTXAZUQUNDPX-LXZKKBNFSA-N 2 1 323.506 2.765 20 0 DFADMP CSc1ccc(F)cc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000261911322 274188323 /nfs/dbraw/zinc/18/83/23/274188323.db2.gz JCNYNCHGKWWXSF-BZUAXINKSA-N 2 1 324.465 2.794 20 0 DFADMP CC[N@@H+](CCC1CC[NH+]([C@@H]2CCCCNC2=O)CC1)CC(C)C ZINC000358739072 428651814 /nfs/dbraw/zinc/65/18/14/428651814.db2.gz DXJMWOXDEAUACE-GOSISDBHSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H](CC(C)(C)O)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295116624 274207360 /nfs/dbraw/zinc/20/73/60/274207360.db2.gz VYBWJAPVCFDEMY-HNNXBMFYSA-N 2 1 322.468 2.972 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1ccncc1 ZINC000090523896 274244426 /nfs/dbraw/zinc/24/44/26/274244426.db2.gz BCQMAWOLGGFCJC-OLMNPRSZSA-N 2 1 303.450 2.500 20 0 DFADMP CC(C)[NH+](CCN(C)Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000348225186 428665651 /nfs/dbraw/zinc/66/56/51/428665651.db2.gz XEJXAMYKUUAGHE-UHFFFAOYSA-N 2 1 312.527 2.755 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252238 428676422 /nfs/dbraw/zinc/67/64/22/428676422.db2.gz WIAPZLNKQFAEHL-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252238 428676427 /nfs/dbraw/zinc/67/64/27/428676427.db2.gz WIAPZLNKQFAEHL-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000362252238 428676432 /nfs/dbraw/zinc/67/64/32/428676432.db2.gz WIAPZLNKQFAEHL-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000280046117 274355574 /nfs/dbraw/zinc/35/55/74/274355574.db2.gz JGMZKSIPPUIARK-RWQQGDIJSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@H]1CCOC[C@H]1C ZINC000280046117 274355577 /nfs/dbraw/zinc/35/55/77/274355577.db2.gz JGMZKSIPPUIARK-RWQQGDIJSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000374255028 428670932 /nfs/dbraw/zinc/67/09/32/428670932.db2.gz OSQLGHAVMWNCBF-PKOBYXMFSA-N 2 1 307.526 2.915 20 0 DFADMP CC[C@H](C(=O)NCCCC[N@H+]1CCCC[C@@H]1C)[NH+](CC)CC ZINC000344540911 428673778 /nfs/dbraw/zinc/67/37/78/428673778.db2.gz KQVCYRNFSMUCAH-DLBZAZTESA-N 2 1 311.514 2.878 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353764412 428704772 /nfs/dbraw/zinc/70/47/72/428704772.db2.gz XYBRFDRVFUMHQM-ZWKOTPCHSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)=CC[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358852773 428707038 /nfs/dbraw/zinc/70/70/38/428707038.db2.gz LSKWGTVYOSBEJJ-IAGOWNOFSA-N 2 1 310.482 2.543 20 0 DFADMP CC(C)CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358865193 428709594 /nfs/dbraw/zinc/70/95/94/428709594.db2.gz NMUQGVKJPMBOPR-CALCHBBNSA-N 2 1 312.498 2.623 20 0 DFADMP CC(C)CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358865193 428709601 /nfs/dbraw/zinc/70/96/01/428709601.db2.gz NMUQGVKJPMBOPR-CALCHBBNSA-N 2 1 312.498 2.623 20 0 DFADMP CC[C@H](C)C[NH+]1CCC(OCC[NH+]2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000358873432 428713582 /nfs/dbraw/zinc/71/35/82/428713582.db2.gz NWWFHXWDAYCFEI-GVDBMIGSSA-N 2 1 312.498 2.623 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000358913780 428730221 /nfs/dbraw/zinc/73/02/21/428730221.db2.gz IZVQIMDRMCOLOY-IBGZPJMESA-N 2 1 324.472 2.836 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000358913780 428730225 /nfs/dbraw/zinc/73/02/25/428730225.db2.gz IZVQIMDRMCOLOY-IBGZPJMESA-N 2 1 324.472 2.836 20 0 DFADMP CN(C)c1cc(NC(=O)C[C@@H](c2ccccc2)[NH+](C)C)cc[nH+]1 ZINC000416171247 428679956 /nfs/dbraw/zinc/67/99/56/428679956.db2.gz OZRSGUHFGJQZKU-INIZCTEOSA-N 2 1 312.417 2.779 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCc2ccn(C)n2)cc1 ZINC000348252840 428679983 /nfs/dbraw/zinc/67/99/83/428679983.db2.gz FHWPOSVCZXADPJ-AWEZNQCLSA-N 2 1 309.417 2.808 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000344619291 428682866 /nfs/dbraw/zinc/68/28/66/428682866.db2.gz QGARFYOYXFKATL-AWEZNQCLSA-N 2 1 323.506 2.660 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000344619291 428682874 /nfs/dbraw/zinc/68/28/74/428682874.db2.gz QGARFYOYXFKATL-AWEZNQCLSA-N 2 1 323.506 2.660 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000353743122 428690196 /nfs/dbraw/zinc/69/01/96/428690196.db2.gz GZWJBWKTOMLKCS-XHSDSOJGSA-N 2 1 323.868 2.719 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000353743122 428690202 /nfs/dbraw/zinc/69/02/02/428690202.db2.gz GZWJBWKTOMLKCS-XHSDSOJGSA-N 2 1 323.868 2.719 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000353749210 428691229 /nfs/dbraw/zinc/69/12/29/428691229.db2.gz UYYRFLHCMXWXOR-GDBMZVCRSA-N 2 1 304.434 2.762 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000353749210 428691233 /nfs/dbraw/zinc/69/12/33/428691233.db2.gz UYYRFLHCMXWXOR-GDBMZVCRSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000353749210 428691238 /nfs/dbraw/zinc/69/12/38/428691238.db2.gz UYYRFLHCMXWXOR-GDBMZVCRSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000353749210 428691242 /nfs/dbraw/zinc/69/12/42/428691242.db2.gz UYYRFLHCMXWXOR-GDBMZVCRSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CCc3ccc(Cl)cc3)C2)CC1 ZINC000362296806 428692646 /nfs/dbraw/zinc/69/26/46/428692646.db2.gz AUYGYIKOFNITQG-GOSISDBHSA-N 2 1 321.896 2.594 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@H]1C ZINC000353750377 428693495 /nfs/dbraw/zinc/69/34/95/428693495.db2.gz NYSSLOXFKIHEOZ-HIFRSBDPSA-N 2 1 320.433 2.729 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@H]1C ZINC000353750377 428693499 /nfs/dbraw/zinc/69/34/99/428693499.db2.gz NYSSLOXFKIHEOZ-HIFRSBDPSA-N 2 1 320.433 2.729 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@H]1C ZINC000353750377 428693503 /nfs/dbraw/zinc/69/35/03/428693503.db2.gz NYSSLOXFKIHEOZ-HIFRSBDPSA-N 2 1 320.433 2.729 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3c(c(OC)c2)OCO3)C[C@H]1C ZINC000353750377 428693508 /nfs/dbraw/zinc/69/35/08/428693508.db2.gz NYSSLOXFKIHEOZ-HIFRSBDPSA-N 2 1 320.433 2.729 20 0 DFADMP C[N@H+](CC(=O)OC(C)(C)C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374850995 428762330 /nfs/dbraw/zinc/76/23/30/428762330.db2.gz CWIHHTCALJBOMA-UHFFFAOYSA-N 2 1 319.449 2.572 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)c(F)c2)C[C@H]1C ZINC000362481483 428763964 /nfs/dbraw/zinc/76/39/64/428763964.db2.gz XDRBIKNWGSHPGV-UKRRQHHQSA-N 2 1 322.424 2.917 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000374873479 428769385 /nfs/dbraw/zinc/76/93/85/428769385.db2.gz HNRKHAOIKQQHCH-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)C1 ZINC000374873479 428769391 /nfs/dbraw/zinc/76/93/91/428769391.db2.gz HNRKHAOIKQQHCH-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000359019182 428775165 /nfs/dbraw/zinc/77/51/65/428775165.db2.gz ZTNSHHOXXSKCKH-APWZRJJASA-N 2 1 301.478 2.833 20 0 DFADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000345160299 428777624 /nfs/dbraw/zinc/77/76/24/428777624.db2.gz PQSLRUYNCZPXKR-GJZGRUSLSA-N 2 1 303.450 2.804 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H](C)CC[NH+](C)C)cc1 ZINC000353959780 428793136 /nfs/dbraw/zinc/79/31/36/428793136.db2.gz LMFFYGBOHTVZBJ-INIZCTEOSA-N 2 1 319.493 2.989 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)CC[NH+](C)C)c1cccc(N2CCCC2=O)c1 ZINC000345160301 428778545 /nfs/dbraw/zinc/77/85/45/428778545.db2.gz PQSLRUYNCZPXKR-LSDHHAIUSA-N 2 1 303.450 2.804 20 0 DFADMP CCN(CC)c1ncc(CN2CC[C@H]3CC[N@@H+](C)C[C@@H]32)s1 ZINC000374899011 428780282 /nfs/dbraw/zinc/78/02/82/428780282.db2.gz PAMONAJZWQMOSZ-HIFRSBDPSA-N 2 1 308.495 2.515 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000353933833 428784754 /nfs/dbraw/zinc/78/47/54/428784754.db2.gz WMWSPQFCYCXPJF-LPMVOBIJSA-N 2 1 308.466 2.715 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000353933833 428784759 /nfs/dbraw/zinc/78/47/59/428784759.db2.gz WMWSPQFCYCXPJF-LPMVOBIJSA-N 2 1 308.466 2.715 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cn1 ZINC000353828104 428736556 /nfs/dbraw/zinc/73/65/56/428736556.db2.gz QIPXFLYIQOTFDR-GBESFXJTSA-N 2 1 317.477 2.506 20 0 DFADMP Cc1ccc(CCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cn1 ZINC000353828105 428737291 /nfs/dbraw/zinc/73/72/91/428737291.db2.gz QIPXFLYIQOTFDR-GUDVDZBRSA-N 2 1 317.477 2.506 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358934743 428739411 /nfs/dbraw/zinc/73/94/11/428739411.db2.gz KZJBDBOPMIWWOZ-UXLLHSPISA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358934743 428739417 /nfs/dbraw/zinc/73/94/17/428739417.db2.gz KZJBDBOPMIWWOZ-UXLLHSPISA-N 2 1 304.482 2.755 20 0 DFADMP COc1cc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)ccc1F ZINC000348424111 428741513 /nfs/dbraw/zinc/74/15/13/428741513.db2.gz QFAZKBFMSQEOMV-CABCVRRESA-N 2 1 324.440 2.986 20 0 DFADMP CC(CC[NH+]1CCOC(C)(C)C1)CC[N@H+]1CCOC(C)(C)C1 ZINC000411126265 428742783 /nfs/dbraw/zinc/74/27/83/428742783.db2.gz MTGCVVGQKDWUCA-UHFFFAOYSA-N 2 1 312.498 2.624 20 0 DFADMP CC(CC[NH+]1C[C@H](C)OC[C@@H]1C)CC[N@H+]1C[C@H](C)OC[C@@H]1C ZINC000411145832 428744609 /nfs/dbraw/zinc/74/46/09/428744609.db2.gz MGWQDQBCPPKQLN-XSLAGTTESA-N 2 1 312.498 2.621 20 0 DFADMP C[C@H]([NH2+]C[C@@H](CO)C1CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353846288 428744743 /nfs/dbraw/zinc/74/47/43/428744743.db2.gz ABIMMCQKHKTMJJ-SNRMKQJTSA-N 2 1 302.462 2.505 20 0 DFADMP OC[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000353851113 428747222 /nfs/dbraw/zinc/74/72/22/428747222.db2.gz PFITWCBBPHQDJS-UMQXSMKFSA-N 2 1 314.473 2.790 20 0 DFADMP C[N@H+]1CCCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411152705 428749489 /nfs/dbraw/zinc/74/94/89/428749489.db2.gz HLLUFJJYHCJRAM-UHFFFAOYSA-N 2 1 301.478 2.810 20 0 DFADMP CN1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411152705 428749496 /nfs/dbraw/zinc/74/94/96/428749496.db2.gz HLLUFJJYHCJRAM-UHFFFAOYSA-N 2 1 301.478 2.810 20 0 DFADMP CN1CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000411152705 428749501 /nfs/dbraw/zinc/74/95/01/428749501.db2.gz HLLUFJJYHCJRAM-UHFFFAOYSA-N 2 1 301.478 2.810 20 0 DFADMP CC(CC[NH+](C)[C@@H]1CCCOC1)CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000411721210 428847584 /nfs/dbraw/zinc/84/75/84/428847584.db2.gz ROPNBVFIORANKI-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP OC[C@@]1(F)CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411730778 428850836 /nfs/dbraw/zinc/85/08/36/428850836.db2.gz PELHKEONKKRFSC-LJQANCHMSA-N 2 1 320.452 2.969 20 0 DFADMP OC[C@@]1(F)CCC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411730778 428850842 /nfs/dbraw/zinc/85/08/42/428850842.db2.gz PELHKEONKKRFSC-LJQANCHMSA-N 2 1 320.452 2.969 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)NCC1CCCCC1)CC2 ZINC000411439292 428796985 /nfs/dbraw/zinc/79/69/85/428796985.db2.gz FHXJWLKTPAPBBL-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)NCC1CCCCC1)CC2 ZINC000411439292 428796990 /nfs/dbraw/zinc/79/69/90/428796990.db2.gz FHXJWLKTPAPBBL-UHFFFAOYSA-N 2 1 321.509 2.633 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)CCC(C)(C)C ZINC000348639497 428805246 /nfs/dbraw/zinc/80/52/46/428805246.db2.gz YTRJXFXOELEDPK-INIZCTEOSA-N 2 1 311.514 2.687 20 0 DFADMP CC(C)[N@H+]1CCc2nc(CN(C)[C@H]3CCCOC3)sc2C1 ZINC000348714428 428817529 /nfs/dbraw/zinc/81/75/29/428817529.db2.gz NSPIVVYMQOTJII-ZDUSSCGKSA-N 2 1 309.479 2.520 20 0 DFADMP OC[C@H]1C[C@@H](F)C[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411607210 428821698 /nfs/dbraw/zinc/82/16/98/428821698.db2.gz JOVJXEJDZBADRT-QZTJIDSGSA-N 2 1 306.425 2.577 20 0 DFADMP OC[C@H]1C[C@@H](F)C[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411607210 428821704 /nfs/dbraw/zinc/82/17/04/428821704.db2.gz JOVJXEJDZBADRT-QZTJIDSGSA-N 2 1 306.425 2.577 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)[C@@H]1CO ZINC000411620004 428824281 /nfs/dbraw/zinc/82/42/81/428824281.db2.gz PJIDKLZSVOEUPN-QFBILLFUSA-N 2 1 302.462 2.875 20 0 DFADMP CC[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)[C@@H]1CCCC[C@H]1C ZINC000411619496 428825447 /nfs/dbraw/zinc/82/54/47/428825447.db2.gz XKMFJZRAGXTVOQ-SJLPKXTDSA-N 2 1 323.525 2.876 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000411633684 428828999 /nfs/dbraw/zinc/82/89/99/428828999.db2.gz SWBGZHIKZBPTAM-MRXNPFEDSA-N 2 1 320.481 2.559 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(=O)N1CCCCC1 ZINC000411633684 428829003 /nfs/dbraw/zinc/82/90/03/428829003.db2.gz SWBGZHIKZBPTAM-MRXNPFEDSA-N 2 1 320.481 2.559 20 0 DFADMP C[C@@H]1[C@@H](CO)CC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411655147 428834220 /nfs/dbraw/zinc/83/42/20/428834220.db2.gz IRJNUZVFKSSLAE-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1F ZINC000354039577 428835268 /nfs/dbraw/zinc/83/52/68/428835268.db2.gz NIRZSUSXBDPEFZ-QFBILLFUSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1F ZINC000354039577 428835273 /nfs/dbraw/zinc/83/52/73/428835273.db2.gz NIRZSUSXBDPEFZ-QFBILLFUSA-N 2 1 319.468 2.592 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000417047394 428844904 /nfs/dbraw/zinc/84/49/04/428844904.db2.gz QKIWQBCAOPDKAY-IKGGRYGDSA-N 2 1 324.513 2.552 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000417047395 428844993 /nfs/dbraw/zinc/84/49/93/428844993.db2.gz QKIWQBCAOPDKAY-IXDOHACOSA-N 2 1 324.513 2.552 20 0 DFADMP CC(=O)CC[N@H+]1CC[C@]2(C1)CCCN(Cc1ccccc1)C2 ZINC000363324089 428907296 /nfs/dbraw/zinc/90/72/96/428907296.db2.gz JKTREJLNEUHUMR-IBGZPJMESA-N 2 1 300.446 2.954 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1ccccc1OC ZINC000349059967 428909203 /nfs/dbraw/zinc/90/92/03/428909203.db2.gz CWSFDMVWNSJGKG-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)n1 ZINC000354082995 428854168 /nfs/dbraw/zinc/85/41/68/428854168.db2.gz ASJYPKGONCAOTP-PPWQZUPISA-N 2 1 306.454 2.731 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H]3CC[N@@H+](C)[C@@H](C)C3)CC2)n1 ZINC000354082995 428854172 /nfs/dbraw/zinc/85/41/72/428854172.db2.gz ASJYPKGONCAOTP-PPWQZUPISA-N 2 1 306.454 2.731 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(C)ccc2OC)C1 ZINC000354088908 428854869 /nfs/dbraw/zinc/85/48/69/428854869.db2.gz WBYDYRUCMJGZTM-SFHVURJKSA-N 2 1 320.477 2.936 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CCN(Cc2ccc([S@@](C)=O)cc2)C1 ZINC000354102225 428862163 /nfs/dbraw/zinc/86/21/63/428862163.db2.gz ZBLFZMWJXZZFCQ-HTAPYJJXSA-N 2 1 320.502 2.588 20 0 DFADMP Cn1ccc([C@H]([NH2+]CC2CC[NH+](C)CC2)c2ccc(F)cc2)n1 ZINC000359212977 428866639 /nfs/dbraw/zinc/86/66/39/428866639.db2.gz LBSOPYMRQGWJSE-GOSISDBHSA-N 2 1 316.424 2.580 20 0 DFADMP c1cn(CC[N@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)cn1 ZINC000363152588 428868553 /nfs/dbraw/zinc/86/85/53/428868553.db2.gz YSWASGPONQGYLK-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP c1cn(CC[NH+]2CC[C@]3(C2)CCC[N@H+](Cc2ccccc2)C3)cn1 ZINC000363152588 428868558 /nfs/dbraw/zinc/86/85/58/428868558.db2.gz YSWASGPONQGYLK-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP c1cn(CC[NH+]2CC[C@]3(C2)CCC[N@@H+](Cc2ccccc2)C3)cn1 ZINC000363152588 428868564 /nfs/dbraw/zinc/86/85/64/428868564.db2.gz YSWASGPONQGYLK-FQEVSTJZSA-N 2 1 324.472 2.871 20 0 DFADMP CC1(C)C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CO1 ZINC000417893146 428870904 /nfs/dbraw/zinc/87/09/04/428870904.db2.gz DVZLZNCQJVWEIS-ROUUACIJSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@H]1C[C@H](O)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411877064 428875270 /nfs/dbraw/zinc/87/52/70/428875270.db2.gz QFSAQXXRKDBYHR-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@H]1C[C@H](O)C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411877935 428876707 /nfs/dbraw/zinc/87/67/07/428876707.db2.gz QXEUBRNLTQXFCW-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@@H]1C[N@@H+](CCC2CC[NH2+]CC2)C[C@@H](c2ccc(F)cc2)O1 ZINC000359229809 428877242 /nfs/dbraw/zinc/87/72/42/428877242.db2.gz ZLBSROOEQIBEPZ-KDOFPFPSSA-N 2 1 306.425 2.977 20 0 DFADMP C(C[N@@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C[NH+]1CCCCC1 ZINC000375466081 428893286 /nfs/dbraw/zinc/89/32/86/428893286.db2.gz RWYLMWLOSGGGNF-HNNXBMFYSA-N 2 1 304.438 2.612 20 0 DFADMP C(C[N@H+]1CC[C@H](c2nc(C3CC3)no2)C1)C[NH+]1CCCCC1 ZINC000375466081 428893292 /nfs/dbraw/zinc/89/32/92/428893292.db2.gz RWYLMWLOSGGGNF-HNNXBMFYSA-N 2 1 304.438 2.612 20 0 DFADMP CCCn1nc(C)c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000354166503 428895991 /nfs/dbraw/zinc/89/59/91/428895991.db2.gz LNEVNZHSIUPYJC-GOSISDBHSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000354166503 428895993 /nfs/dbraw/zinc/89/59/93/428895993.db2.gz LNEVNZHSIUPYJC-GOSISDBHSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c1C ZINC000354166503 428895999 /nfs/dbraw/zinc/89/59/99/428895999.db2.gz LNEVNZHSIUPYJC-GOSISDBHSA-N 2 1 304.482 2.828 20 0 DFADMP CCCn1nc(C)c(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000354166503 428896002 /nfs/dbraw/zinc/89/60/02/428896002.db2.gz LNEVNZHSIUPYJC-GOSISDBHSA-N 2 1 304.482 2.828 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C(C)(C)C)n1 ZINC000354177212 428898657 /nfs/dbraw/zinc/89/86/57/428898657.db2.gz ONSCNEXESZWEKC-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C(C)(C)C)n1 ZINC000354177212 428898660 /nfs/dbraw/zinc/89/86/60/428898660.db2.gz ONSCNEXESZWEKC-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C(C)(C)C)n1 ZINC000354177212 428898662 /nfs/dbraw/zinc/89/86/62/428898662.db2.gz ONSCNEXESZWEKC-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP Cn1cc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C(C)(C)C)n1 ZINC000354177212 428898668 /nfs/dbraw/zinc/89/86/68/428898668.db2.gz ONSCNEXESZWEKC-GOSISDBHSA-N 2 1 304.482 2.635 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000375504460 428901711 /nfs/dbraw/zinc/90/17/11/428901711.db2.gz CWQQFTKWQYCZPB-UHFFFAOYSA-N 2 1 318.461 2.772 20 0 DFADMP CCOC(=O)CC[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000363437843 428914373 /nfs/dbraw/zinc/91/43/73/428914373.db2.gz YATTUCATZAMFKV-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP CCOC(=O)CC[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000363437843 428914378 /nfs/dbraw/zinc/91/43/78/428914378.db2.gz YATTUCATZAMFKV-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP CCOC(=O)CC[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000363437843 428914381 /nfs/dbraw/zinc/91/43/81/428914381.db2.gz YATTUCATZAMFKV-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP CCOC(=O)CC[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000363437843 428914388 /nfs/dbraw/zinc/91/43/88/428914388.db2.gz YATTUCATZAMFKV-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@H](CC(C)C)[NH+](CC)CC ZINC000349091622 428919461 /nfs/dbraw/zinc/91/94/61/428919461.db2.gz YSIVRRPROGTXKJ-DLBZAZTESA-N 2 1 311.514 2.734 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2ccccc2C)C[C@H]1C ZINC000354220896 428921960 /nfs/dbraw/zinc/92/19/60/428921960.db2.gz FWFYQRJWEAWGBF-FGTMMUONSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)COc2ccccc2C)C[C@H]1C ZINC000354220896 428921966 /nfs/dbraw/zinc/92/19/66/428921966.db2.gz FWFYQRJWEAWGBF-FGTMMUONSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)COc2ccccc2C)C[C@H]1C ZINC000354220896 428921973 /nfs/dbraw/zinc/92/19/73/428921973.db2.gz FWFYQRJWEAWGBF-FGTMMUONSA-N 2 1 320.477 2.539 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000349115840 428922896 /nfs/dbraw/zinc/92/28/96/428922896.db2.gz DZISJCGOOBIXAO-KZNAEPCWSA-N 2 1 323.525 2.735 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2ccccc2C)C[C@H]1C ZINC000354220898 428924189 /nfs/dbraw/zinc/92/41/89/428924189.db2.gz FWFYQRJWEAWGBF-SQNIBIBYSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)COc2ccccc2C)C[C@H]1C ZINC000354220898 428924192 /nfs/dbraw/zinc/92/41/92/428924192.db2.gz FWFYQRJWEAWGBF-SQNIBIBYSA-N 2 1 320.477 2.539 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)COc2ccccc2C)C[C@H]1C ZINC000354220898 428924194 /nfs/dbraw/zinc/92/41/94/428924194.db2.gz FWFYQRJWEAWGBF-SQNIBIBYSA-N 2 1 320.477 2.539 20 0 DFADMP C[C@@H]1CC(C)(C)C[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000412048087 428925413 /nfs/dbraw/zinc/92/54/13/428925413.db2.gz UAIFTYSJBVNAET-NVXWUHKLSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[N@H+]1CC[C@@H]1CCC[NH+]1C ZINC000363480347 428926989 /nfs/dbraw/zinc/92/69/89/428926989.db2.gz XIZSPMWSTLYNSC-DLBZAZTESA-N 2 1 304.482 2.955 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@@H+]1C ZINC000363480347 428926995 /nfs/dbraw/zinc/92/69/95/428926995.db2.gz XIZSPMWSTLYNSC-DLBZAZTESA-N 2 1 304.482 2.955 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[NH+]1CC[C@@H]1CCC[N@H+]1C ZINC000363480347 428927003 /nfs/dbraw/zinc/92/70/03/428927003.db2.gz XIZSPMWSTLYNSC-DLBZAZTESA-N 2 1 304.482 2.955 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CCOc2ccccc2OC)C[C@@H]1C ZINC000354224611 428928419 /nfs/dbraw/zinc/92/84/19/428928419.db2.gz NZQHHFJQNROLSO-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2OC)C[C@@H]1C ZINC000354224611 428928428 /nfs/dbraw/zinc/92/84/28/428928428.db2.gz NZQHHFJQNROLSO-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2OC)C[C@@H]1C ZINC000354224611 428928435 /nfs/dbraw/zinc/92/84/35/428928435.db2.gz NZQHHFJQNROLSO-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2OC)C[C@@H]1C ZINC000354224611 428928442 /nfs/dbraw/zinc/92/84/42/428928442.db2.gz NZQHHFJQNROLSO-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)c(C)n2n1 ZINC000363532327 428937574 /nfs/dbraw/zinc/93/75/74/428937574.db2.gz AHAZQICIECHALQ-BPUTZDHNSA-N 2 1 313.449 2.624 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)c(C)n2n1 ZINC000363532327 428937577 /nfs/dbraw/zinc/93/75/77/428937577.db2.gz AHAZQICIECHALQ-BPUTZDHNSA-N 2 1 313.449 2.624 20 0 DFADMP Cc1nn(C)c(C)c1CN1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000363572901 428945930 /nfs/dbraw/zinc/94/59/30/428945930.db2.gz KXXUILVPPDCKJD-DFQSSKMNSA-N 2 1 324.472 2.772 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[N@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000363572901 428945952 /nfs/dbraw/zinc/94/59/52/428945952.db2.gz KXXUILVPPDCKJD-DFQSSKMNSA-N 2 1 324.472 2.772 20 0 DFADMP Cc1nn(C)c(C)c1C[NH+]1C[C@@H]2C[N@@H+](C)[C@H](c3ccccc3)[C@@H]2C1 ZINC000363572901 428945959 /nfs/dbraw/zinc/94/59/59/428945959.db2.gz KXXUILVPPDCKJD-DFQSSKMNSA-N 2 1 324.472 2.772 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359377265 428946106 /nfs/dbraw/zinc/94/61/06/428946106.db2.gz YGMTWSBRYLUNPM-IBGZPJMESA-N 2 1 319.468 2.894 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1C(C)(C)C1(C)C ZINC000354333441 428971988 /nfs/dbraw/zinc/97/19/88/428971988.db2.gz YRWUHVVEEMFOPW-AWEZNQCLSA-N 2 1 323.525 2.589 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000375720959 428952902 /nfs/dbraw/zinc/95/29/02/428952902.db2.gz UGFVASDQHDESEC-MMNRESRNSA-N 2 1 313.445 2.699 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c2ccccc21 ZINC000375720960 428954561 /nfs/dbraw/zinc/95/45/61/428954561.db2.gz UGFVASDQHDESEC-YCXXCVGLSA-N 2 1 313.445 2.699 20 0 DFADMP COCCSCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000375734663 428956614 /nfs/dbraw/zinc/95/66/14/428956614.db2.gz XHOTWNLAHRZKIA-WBVHZDCISA-N 2 1 312.523 2.705 20 0 DFADMP COCCSCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000375734663 428956617 /nfs/dbraw/zinc/95/66/17/428956617.db2.gz XHOTWNLAHRZKIA-WBVHZDCISA-N 2 1 312.523 2.705 20 0 DFADMP COCCSCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000375734663 428956622 /nfs/dbraw/zinc/95/66/22/428956622.db2.gz XHOTWNLAHRZKIA-WBVHZDCISA-N 2 1 312.523 2.705 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@H]2[C@@H]2CCC[N@@H+]2C)c1C ZINC000363632980 428958165 /nfs/dbraw/zinc/95/81/65/428958165.db2.gz LYBVKLDQDFIQJK-IRXDYDNUSA-N 2 1 303.450 2.766 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@H]2[C@@H]2CCC[N@H+]2C)c1C ZINC000363632980 428958168 /nfs/dbraw/zinc/95/81/68/428958168.db2.gz LYBVKLDQDFIQJK-IRXDYDNUSA-N 2 1 303.450 2.766 20 0 DFADMP CCOC(=O)c1coc(CNC[C@@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000354331473 428972257 /nfs/dbraw/zinc/97/22/57/428972257.db2.gz RHNSJZSYPQAOHG-AWEZNQCLSA-N 2 1 308.422 2.666 20 0 DFADMP COc1ccc([C@H]2[C@H](C[NH2+]CC3(C)COC3)CCC[N@@H+]2C)cc1 ZINC000375740227 428959522 /nfs/dbraw/zinc/95/95/22/428959522.db2.gz FBADFPBDNUWCDV-WMZOPIPTSA-N 2 1 318.461 2.704 20 0 DFADMP COc1ccc([C@H]2[C@H](C[NH2+]CC3(C)COC3)CCC[N@H+]2C)cc1 ZINC000375740227 428959527 /nfs/dbraw/zinc/95/95/27/428959527.db2.gz FBADFPBDNUWCDV-WMZOPIPTSA-N 2 1 318.461 2.704 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423796001 429022506 /nfs/dbraw/zinc/02/25/06/429022506.db2.gz GRZSFYDZVGWBAM-WMLDXEAASA-N 2 1 303.450 2.557 20 0 DFADMP Cc1ncccc1O[C@H]1CC[N@@H+](Cc2cccc3nccn32)C1 ZINC000375973952 429029654 /nfs/dbraw/zinc/02/96/54/429029654.db2.gz IPUNLSHQFIWZFT-INIZCTEOSA-N 2 1 308.385 2.691 20 0 DFADMP Cc1ncccc1O[C@H]1CCN(Cc2cccc3nccn32)C1 ZINC000375973952 429029658 /nfs/dbraw/zinc/02/96/58/429029658.db2.gz IPUNLSHQFIWZFT-INIZCTEOSA-N 2 1 308.385 2.691 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000433376663 429029861 /nfs/dbraw/zinc/02/98/61/429029861.db2.gz JXSRCANCDIHOFD-ZWKOTPCHSA-N 2 1 321.509 2.726 20 0 DFADMP COc1ccc(C[N@@H+](C)CCCn2ccnc2)c(C)c1OC ZINC000349403523 428981017 /nfs/dbraw/zinc/98/10/17/428981017.db2.gz CGEKKLOFUDMQMO-UHFFFAOYSA-N 2 1 303.406 2.731 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000363782463 428990878 /nfs/dbraw/zinc/99/08/78/428990878.db2.gz HPWWMIQJVGBQRS-YYIAUSFCSA-N 2 1 324.509 2.812 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+][C@@H]1CC(C)(C)OC1(C)C ZINC000363782463 428990881 /nfs/dbraw/zinc/99/08/81/428990881.db2.gz HPWWMIQJVGBQRS-YYIAUSFCSA-N 2 1 324.509 2.812 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccc(O)c1 ZINC000363781138 428991557 /nfs/dbraw/zinc/99/15/57/428991557.db2.gz HZTDZANCPLEEHH-STEAMIEHSA-N 2 1 318.461 2.932 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1cccc(O)c1 ZINC000363781138 428991563 /nfs/dbraw/zinc/99/15/63/428991563.db2.gz HZTDZANCPLEEHH-STEAMIEHSA-N 2 1 318.461 2.932 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000375868825 429002225 /nfs/dbraw/zinc/00/22/25/429002225.db2.gz HAIWKCDTHTUCSA-QZTJIDSGSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000375868825 429002226 /nfs/dbraw/zinc/00/22/26/429002226.db2.gz HAIWKCDTHTUCSA-QZTJIDSGSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000375868825 429002228 /nfs/dbraw/zinc/00/22/28/429002228.db2.gz HAIWKCDTHTUCSA-QZTJIDSGSA-N 2 1 316.493 2.998 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423726235 429004779 /nfs/dbraw/zinc/00/47/79/429004779.db2.gz JGXZJAPGRXDTOA-MVJTYMMSSA-N 2 1 315.461 2.550 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)[C@@H]([NH3+])c2ccccc2)C1 ZINC000423726235 429004788 /nfs/dbraw/zinc/00/47/88/429004788.db2.gz JGXZJAPGRXDTOA-MVJTYMMSSA-N 2 1 315.461 2.550 20 0 DFADMP CC(C)C[NH+]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000433182906 429007599 /nfs/dbraw/zinc/00/75/99/429007599.db2.gz PLYCQDJGAKAWTM-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1-n1ccnn1 ZINC000375890354 429008482 /nfs/dbraw/zinc/00/84/82/429008482.db2.gz SCPHKPRPIBJISS-ARFHVFGLSA-N 2 1 311.433 2.545 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000423764410 429010858 /nfs/dbraw/zinc/01/08/58/429010858.db2.gz SWAKQHYBSPIFPD-SJLPKXTDSA-N 2 1 309.498 2.617 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@H]1CCCC[C@]1(C)[NH3+] ZINC000423764406 429011380 /nfs/dbraw/zinc/01/13/80/429011380.db2.gz SWAKQHYBSPIFPD-AEFFLSMTSA-N 2 1 309.498 2.617 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccccc3F)C2)CC1 ZINC000375905718 429014509 /nfs/dbraw/zinc/01/45/09/429014509.db2.gz NSDMIGJLRWCGHY-DLBZAZTESA-N 2 1 319.468 2.987 20 0 DFADMP COc1ccc2c(c1)CCC[C@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423471548 429093166 /nfs/dbraw/zinc/09/31/66/429093166.db2.gz HISBJNLFWOOBAJ-CZUORRHYSA-N 2 1 310.388 2.907 20 0 DFADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1(C)C ZINC000423481104 429093734 /nfs/dbraw/zinc/09/37/34/429093734.db2.gz PSQUOBBOIBSIOW-BFHYXJOUSA-N 2 1 304.425 2.805 20 0 DFADMP CCC1(CC)[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)[C@H](C)[C@@H]1OC ZINC000423475408 429094764 /nfs/dbraw/zinc/09/47/64/429094764.db2.gz KJFFYGFQMRXYTB-FQUUOJAGSA-N 2 1 304.425 2.661 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCCC1 ZINC000424131292 429095930 /nfs/dbraw/zinc/09/59/30/429095930.db2.gz JBSGORHNLDKCCU-SQNIBIBYSA-N 2 1 321.509 2.807 20 0 DFADMP Clc1cc2c(c(Cl)c1)CC[C@H]2[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423486715 429096053 /nfs/dbraw/zinc/09/60/53/429096053.db2.gz BYLIMUXTMNSHGK-XHDPSFHLSA-N 2 1 315.244 2.949 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)c1ccc(C(F)(F)F)cc1 ZINC000423485543 429096303 /nfs/dbraw/zinc/09/63/03/429096303.db2.gz AVMQIBIWRANDPE-RISCZKNCSA-N 2 1 302.340 2.735 20 0 DFADMP C[N@H+](CCc1ccc(F)c(F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375987215 429035158 /nfs/dbraw/zinc/03/51/58/429035158.db2.gz TXROPZRINHVPJB-CQSZACIVSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1ccc(F)c(F)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000375987215 429035163 /nfs/dbraw/zinc/03/51/63/429035163.db2.gz TXROPZRINHVPJB-CQSZACIVSA-N 2 1 305.372 2.898 20 0 DFADMP COC1([C@@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCCC1 ZINC000421829028 429036444 /nfs/dbraw/zinc/03/64/44/429036444.db2.gz GMNKRMMHSXONID-QGZVFWFLSA-N 2 1 324.509 2.959 20 0 DFADMP C[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccncc1Cl ZINC000421825391 429037314 /nfs/dbraw/zinc/03/73/14/429037314.db2.gz NIPPXMOEDMSQJD-CQSZACIVSA-N 2 1 324.900 2.659 20 0 DFADMP COC[C@H]1CCCC[N@H+]1C/C=C/C[NH+]1CCCC[C@H]1COC ZINC000452043295 429042994 /nfs/dbraw/zinc/04/29/94/429042994.db2.gz VFDNMLLJHVKAOM-BNPWSIICSA-N 2 1 310.482 2.544 20 0 DFADMP COC[C@H]1CCCC[NH+]1C/C=C/C[N@@H+]1CCCC[C@H]1COC ZINC000452043295 429042999 /nfs/dbraw/zinc/04/29/99/429042999.db2.gz VFDNMLLJHVKAOM-BNPWSIICSA-N 2 1 310.482 2.544 20 0 DFADMP COC[C@H]1CCCC[NH+]1C/C=C/C[N@H+]1CCCC[C@H]1COC ZINC000452043295 429043002 /nfs/dbraw/zinc/04/30/02/429043002.db2.gz VFDNMLLJHVKAOM-BNPWSIICSA-N 2 1 310.482 2.544 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CC1)c1ccc(Br)c(F)c1 ZINC000423278739 429055304 /nfs/dbraw/zinc/05/53/04/429055304.db2.gz QMTKXTICWNYETF-SDBXPKJASA-N 2 1 301.203 2.976 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423275521 429056498 /nfs/dbraw/zinc/05/64/98/429056498.db2.gz NFPDLWNCQAKANW-FRYIKTPZSA-N 3 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423275521 429056499 /nfs/dbraw/zinc/05/64/99/429056499.db2.gz NFPDLWNCQAKANW-FRYIKTPZSA-N 2 1 315.505 2.732 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423275521 429056504 /nfs/dbraw/zinc/05/65/04/429056504.db2.gz NFPDLWNCQAKANW-FRYIKTPZSA-N 2 1 315.505 2.732 20 0 DFADMP CC(C)([NH3+])C[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423288799 429057645 /nfs/dbraw/zinc/05/76/45/429057645.db2.gz VDDCCSXYJDYBPD-LBPRGKRZSA-N 2 1 301.203 2.902 20 0 DFADMP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CC1C[NH2+]C1 ZINC000423307148 429059949 /nfs/dbraw/zinc/05/99/49/429059949.db2.gz VLVMFCCDYAFAHL-LBPRGKRZSA-N 2 1 301.459 2.912 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCNC(=O)C(C)(C)[C@H]([NH3+])c1ccccc1 ZINC000423318587 429061724 /nfs/dbraw/zinc/06/17/24/429061724.db2.gz CNUQTLQNVXWLAG-NVXWUHKLSA-N 2 1 317.477 2.703 20 0 DFADMP [NH3+][C@@H](C[NH2+][C@H]1CCc2c1cc(Br)cc2F)C1CC1 ZINC000423319602 429062930 /nfs/dbraw/zinc/06/29/30/429062930.db2.gz LTMVFRDIJRTSBN-KBPBESRZSA-N 2 1 313.214 2.902 20 0 DFADMP CCC[NH2+]CCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423319330 429063913 /nfs/dbraw/zinc/06/39/13/429063913.db2.gz ZWAMQDANVNDTCM-VAMGGRTRSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)[C@H]1[NH2+]CCCC1(C)C ZINC000423321051 429063955 /nfs/dbraw/zinc/06/39/55/429063955.db2.gz FXMSKWXDGPDQMQ-JKSUJKDBSA-N 2 1 309.498 2.535 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423326607 429064476 /nfs/dbraw/zinc/06/44/76/429064476.db2.gz CPXBDYIVODHUHR-FZKQIMNGSA-N 2 1 319.449 2.694 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000423323518 429065842 /nfs/dbraw/zinc/06/58/42/429065842.db2.gz HZMRQHGFJTWWEU-FUHWJXTLSA-N 2 1 323.525 2.912 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CC([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334743 429066923 /nfs/dbraw/zinc/06/69/23/429066923.db2.gz FXPWPQZKCKQRGX-IHWFROFDSA-N 3 1 311.473 2.691 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2CC([NH2+]CC2=CC[NH2+]CC2)C3)cc1 ZINC000423334743 429066926 /nfs/dbraw/zinc/06/69/26/429066926.db2.gz FXPWPQZKCKQRGX-IHWFROFDSA-N 2 1 311.473 2.691 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]([NH3+])C3CCC3)cc2)C1 ZINC000423341354 429067706 /nfs/dbraw/zinc/06/77/06/429067706.db2.gz UFSFLZBROHOUDQ-KBXCAEBGSA-N 2 1 315.461 2.984 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@@H]2C1)CC1CCCCC1 ZINC000424131290 429097146 /nfs/dbraw/zinc/09/71/46/429097146.db2.gz JBSGORHNLDKCCU-KZNAEPCWSA-N 2 1 321.509 2.807 20 0 DFADMP C[C@H]1[C@H](NCC[C@H]2CCC[NH2+]2)CCC[N@H+]1Cc1ccccc1 ZINC000423355331 429071174 /nfs/dbraw/zinc/07/11/74/429071174.db2.gz IAZLEAXBXYLEQV-QXAKKESOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1[C@H]([NH2+]CC[C@H]2CCC[NH2+]2)CCCN1Cc1ccccc1 ZINC000423355331 429071177 /nfs/dbraw/zinc/07/11/77/429071177.db2.gz IAZLEAXBXYLEQV-QXAKKESOSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423352662 429072287 /nfs/dbraw/zinc/07/22/87/429072287.db2.gz AEEFBIAKMZOJGV-AXAPSJFSSA-N 2 1 323.278 2.894 20 0 DFADMP CC(C)CCOc1ccc([C@@H](C)[NH2+]C[C@@H]2CNCCN2C)cc1 ZINC000423483117 429097217 /nfs/dbraw/zinc/09/72/17/429097217.db2.gz SAAHNATYMTXCDD-AEFFLSMTSA-N 2 1 319.493 2.666 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+][C@H]2CCCOCC2)cc1F ZINC000423361065 429073024 /nfs/dbraw/zinc/07/30/24/429073024.db2.gz GOGHITKGNUSSOO-GRDNDAEWSA-N 2 1 310.388 2.569 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CCC[N@@H+]1Cc1ccccc1 ZINC000423368541 429074877 /nfs/dbraw/zinc/07/48/77/429074877.db2.gz NIBWHGUEKWVCNU-XGXHKWSGSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1[C@H](N[C@H]2CCC[C@H]([NH3+])C2)CCC[N@H+]1Cc1ccccc1 ZINC000423368541 429074881 /nfs/dbraw/zinc/07/48/81/429074881.db2.gz NIBWHGUEKWVCNU-XGXHKWSGSA-N 2 1 301.478 2.899 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)cc1OC ZINC000423371736 429075601 /nfs/dbraw/zinc/07/56/01/429075601.db2.gz HVVLOYXJJABCSJ-LZWOXQAQSA-N 2 1 306.450 2.673 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@@H]2C)cc1OC ZINC000423373955 429076296 /nfs/dbraw/zinc/07/62/96/429076296.db2.gz WVEHAAIDRGJUSM-NOLJZWGESA-N 2 1 306.450 2.531 20 0 DFADMP Cn1cc([C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)c2cccc(F)c2)cn1 ZINC000423382081 429076680 /nfs/dbraw/zinc/07/66/80/429076680.db2.gz JTIGNZDIBNZVFS-GVDBMIGSSA-N 2 1 302.397 2.508 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[NH2+][C@@H]2C)c1 ZINC000423378796 429076811 /nfs/dbraw/zinc/07/68/11/429076811.db2.gz ZYDHWFWHNWJXDT-QAPCUYQASA-N 2 1 317.477 2.531 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]C[C@H]2[NH2+]CCCC2(C)C)C1 ZINC000423380196 429076908 /nfs/dbraw/zinc/07/69/08/429076908.db2.gz HARKEFAYVSDYQY-HLLBOEOZSA-N 2 1 304.482 2.814 20 0 DFADMP CC[NH2+][C@H](C)CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423393098 429079142 /nfs/dbraw/zinc/07/91/42/429079142.db2.gz YIUUJKIAKBFOKR-OWYHZJEWSA-N 2 1 301.478 2.770 20 0 DFADMP CCc1c2cc(C)ccc2oc1[C@H](C)[NH2+]C[C@H]1C[NH2+]C[C@H]1O ZINC000423411224 429082870 /nfs/dbraw/zinc/08/28/70/429082870.db2.gz UAHOVHLKEIGOMM-WOSRLPQWSA-N 2 1 302.418 2.535 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+])C1 ZINC000423409948 429083419 /nfs/dbraw/zinc/08/34/19/429083419.db2.gz RCJAXISKTFOGNM-BZUAXINKSA-N 2 1 311.514 2.623 20 0 DFADMP c1ccc2c(c1)CCN[C@@H]2C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000423421138 429085922 /nfs/dbraw/zinc/08/59/22/429085922.db2.gz JVBYOTVKHHWWJE-MTQWCTHYSA-N 2 1 313.489 2.774 20 0 DFADMP Fc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423481208 429097612 /nfs/dbraw/zinc/09/76/12/429097612.db2.gz QBMSBJJLOFDMSD-RISCZKNCSA-N 2 1 314.351 2.874 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000423434307 429086810 /nfs/dbraw/zinc/08/68/10/429086810.db2.gz KLWWTDFNAJRRLN-RHSMWYFYSA-N 2 1 303.450 2.653 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000423434306 429087329 /nfs/dbraw/zinc/08/73/29/429087329.db2.gz KLWWTDFNAJRRLN-PBHICJAKSA-N 2 1 303.450 2.653 20 0 DFADMP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H](C)[C@H](C)[NH3+])cc1 ZINC000423448012 429088760 /nfs/dbraw/zinc/08/87/60/429088760.db2.gz POYPHQWWFQWSME-IHRRRGAJSA-N 2 1 306.454 2.947 20 0 DFADMP Cn1cc(C[N@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430789 429142981 /nfs/dbraw/zinc/14/29/81/429142981.db2.gz FRCXFWKJXJTVMB-INIZCTEOSA-N 2 1 316.474 2.626 20 0 DFADMP Cn1cc(C[N@@H+](Cc2ccsc2)[C@H]2CC23CC[NH2+]CC3)cn1 ZINC000435430789 429142984 /nfs/dbraw/zinc/14/29/84/429142984.db2.gz FRCXFWKJXJTVMB-INIZCTEOSA-N 2 1 316.474 2.626 20 0 DFADMP CC[N@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[NH2+]CC1 ZINC000435611924 429152213 /nfs/dbraw/zinc/15/22/13/429152213.db2.gz DDDGXNAPAAUNTB-BZSNNMDCSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@@H]2CCCC[C@@H]21)[C@H]1CCC[NH2+]CC1 ZINC000435611924 429152215 /nfs/dbraw/zinc/15/22/15/429152215.db2.gz DDDGXNAPAAUNTB-BZSNNMDCSA-N 2 1 321.509 2.632 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](CC)[C@@H]1CCC[NH2+]CC1 ZINC000435625649 429155141 /nfs/dbraw/zinc/15/51/41/429155141.db2.gz IIHGRCUZFVTQFA-MRXNPFEDSA-N 2 1 306.450 2.928 20 0 DFADMP CC[N@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626280 429155174 /nfs/dbraw/zinc/15/51/74/429155174.db2.gz KEWDWVYYAFXLPF-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](CC(=O)N(C)[C@@H](C)c1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435626280 429155178 /nfs/dbraw/zinc/15/51/78/429155178.db2.gz KEWDWVYYAFXLPF-WMZOPIPTSA-N 2 1 317.477 2.670 20 0 DFADMP c1ccc(C[N@H+](CCc2cccnc2)[C@@H]2CCC[NH2+]CC2)nc1 ZINC000435628325 429156255 /nfs/dbraw/zinc/15/62/55/429156255.db2.gz QJHIYQMWEYXVHQ-LJQANCHMSA-N 2 1 310.445 2.663 20 0 DFADMP [NH3+][C@@H](CCC(=O)NC[C@@H]1CC[N@H+](C2CC2)C1)CC1CCCCC1 ZINC000424139830 429098800 /nfs/dbraw/zinc/09/88/00/429098800.db2.gz VQGLUQASPVCKSS-IRXDYDNUSA-N 2 1 321.509 2.665 20 0 DFADMP CC(C)[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(F)cn1 ZINC000423491268 429098831 /nfs/dbraw/zinc/09/88/31/429098831.db2.gz ZVLOVGRVCPAJAN-RISCZKNCSA-N 2 1 301.356 2.752 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)cc2O1 ZINC000424139456 429098937 /nfs/dbraw/zinc/09/89/37/429098937.db2.gz VHXARTNAMDDCFL-GFCCVEGCSA-N 2 1 310.344 2.582 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CN[C@H](C)c1ccc(C[NH3+])nc1C ZINC000423501709 429100459 /nfs/dbraw/zinc/10/04/59/429100459.db2.gz LMYUXNQIYHOFTK-BFUOFWGJSA-N 2 1 312.461 2.762 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@@H](C[NH3+])C2CCCC2)C1 ZINC000423503958 429101992 /nfs/dbraw/zinc/10/19/92/429101992.db2.gz NFOYYQVHSNIRMX-UAGQMJEPSA-N 2 1 310.482 2.996 20 0 DFADMP c1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423508591 429103017 /nfs/dbraw/zinc/10/30/17/429103017.db2.gz KWWKRBYTFFGKFU-AFMYVXGZSA-N 2 1 313.489 2.870 20 0 DFADMP CC(C)CCc1noc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376381756 429103605 /nfs/dbraw/zinc/10/36/05/429103605.db2.gz BXSXVJYZINXOOK-UHFFFAOYSA-N 2 1 320.481 2.966 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)n1 ZINC000376381756 429103611 /nfs/dbraw/zinc/10/36/11/429103611.db2.gz BXSXVJYZINXOOK-UHFFFAOYSA-N 2 1 320.481 2.966 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)cc1 ZINC000434671486 429104022 /nfs/dbraw/zinc/10/40/22/429104022.db2.gz UWMMNSWYRRYAKT-CVEARBPZSA-N 2 1 317.477 2.741 20 0 DFADMP CN1CC[NH2+]C[C@H]1C[NH2+][C@H]1CCCc2c3ccccc3sc21 ZINC000423510594 429104115 /nfs/dbraw/zinc/10/41/15/429104115.db2.gz JWAAXBHJUCJILF-BBRMVZONSA-N 2 1 315.486 2.772 20 0 DFADMP COC(=O)CCC[C@H]1CCC[C@H]([N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)C1 ZINC000423517345 429105781 /nfs/dbraw/zinc/10/57/81/429105781.db2.gz XZIUOFBEKGCUGO-XLMAVXFVSA-N 2 1 310.482 2.805 20 0 DFADMP COc1ccsc1[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423524233 429108678 /nfs/dbraw/zinc/10/86/78/429108678.db2.gz WWAKXTNQALZPKM-NFOMZHRRSA-N 2 1 323.506 2.624 20 0 DFADMP c1ccc([C@@H]2C[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000423525659 429109320 /nfs/dbraw/zinc/10/93/20/429109320.db2.gz KUKCJPIUTYDLDW-UHZRXMQZSA-N 2 1 314.473 2.927 20 0 DFADMP COC(=O)CC1CC([NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000424277588 429118135 /nfs/dbraw/zinc/11/81/35/429118135.db2.gz HATDXZAHLKMOSY-YHNBSYBMSA-N 2 1 308.466 2.571 20 0 DFADMP C[N@H+]1CCN(C[C@@H](C[NH3+])c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000424279058 429119691 /nfs/dbraw/zinc/11/96/91/429119691.db2.gz FHZXRVMYGGMJRI-QGZVFWFLSA-N 2 1 319.468 2.818 20 0 DFADMP C[N@H+]1CCN(C[C@H](C[NH3+])c2ccc(F)cc2)C2(CCCCC2)C1 ZINC000424279057 429120241 /nfs/dbraw/zinc/12/02/41/429120241.db2.gz FHZXRVMYGGMJRI-KRWDZBQOSA-N 2 1 319.468 2.818 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424288586 429121819 /nfs/dbraw/zinc/12/18/19/429121819.db2.gz KSJYTGQKPNMFSA-HNNXBMFYSA-N 2 1 315.461 2.652 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cnn(-c3ccccc3)c1)CC[NH2+]CC2 ZINC000424301085 429122355 /nfs/dbraw/zinc/12/23/55/429122355.db2.gz WYQHFCZQIIBYBX-MRXNPFEDSA-N 2 1 310.445 2.836 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424300563 429123442 /nfs/dbraw/zinc/12/34/42/429123442.db2.gz WSXGMSYABDJARH-QGZVFWFLSA-N 2 1 323.525 2.879 20 0 DFADMP COC(=O)CC1CC([NH2+]CC[C@@H](C)[N@@H+](C)Cc2ccccc2)C1 ZINC000424321043 429127013 /nfs/dbraw/zinc/12/70/13/429127013.db2.gz UFDSXXBQLINCDP-FAEJEUNOSA-N 2 1 318.461 2.828 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@](F)(c2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000424343053 429129108 /nfs/dbraw/zinc/12/91/08/429129108.db2.gz JAQWTDVBOVKTMX-OAHLLOKOSA-N 2 1 310.417 2.857 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@](F)(c2nc(C3([NH3+])CCCCC3)no2)C1 ZINC000424343053 429129112 /nfs/dbraw/zinc/12/91/12/429129112.db2.gz JAQWTDVBOVKTMX-OAHLLOKOSA-N 2 1 310.417 2.857 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)CCOC3CCC3)CC2)nc(C)[nH+]1 ZINC000376531076 429130101 /nfs/dbraw/zinc/13/01/01/429130101.db2.gz PEDPTGMXGFVEQZ-UHFFFAOYSA-N 2 1 318.465 2.563 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CCOC3CCC3)CC2)nc(C)[nH+]1 ZINC000376531076 429130103 /nfs/dbraw/zinc/13/01/03/429130103.db2.gz PEDPTGMXGFVEQZ-UHFFFAOYSA-N 2 1 318.465 2.563 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CCCC[C@H]2[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000424367892 429131259 /nfs/dbraw/zinc/13/12/59/429131259.db2.gz OINSZJKNADNPGO-JCHJZTRSSA-N 2 1 301.478 2.899 20 0 DFADMP CC[N@@H+](Cc1cnc2c(cnn2C(C)C)c1)[C@H]1CCC[NH2+]CC1 ZINC000435370175 429133276 /nfs/dbraw/zinc/13/32/76/429133276.db2.gz HMBBYVFIOHYYBZ-KRWDZBQOSA-N 2 1 315.465 2.976 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1OC ZINC000424387577 429133670 /nfs/dbraw/zinc/13/36/70/429133670.db2.gz YMOXUYHFPAINNK-HNNXBMFYSA-N 2 1 318.461 2.976 20 0 DFADMP CC(C)OCCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696461 429159684 /nfs/dbraw/zinc/15/96/84/429159684.db2.gz PVJIBOCGUORQSI-OAHLLOKOSA-N 2 1 323.506 2.902 20 0 DFADMP CC(C)OCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435696461 429159689 /nfs/dbraw/zinc/15/96/89/429159689.db2.gz PVJIBOCGUORQSI-OAHLLOKOSA-N 2 1 323.506 2.902 20 0 DFADMP Cn1ccnc1C[N@@H+](CCC1CCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435699228 429160023 /nfs/dbraw/zinc/16/00/23/429160023.db2.gz YWGXNYBYWRJKHF-QGZVFWFLSA-N 2 1 316.493 2.945 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000494879507 429161616 /nfs/dbraw/zinc/16/16/16/429161616.db2.gz RJNHPBNRCHEAJF-HNNXBMFYSA-N 2 1 317.477 2.913 20 0 DFADMP C[NH2+]CCC[N@H+]1CCC[C@H](c2nc(-c3ccc(F)cc3)no2)C1 ZINC000435873439 429169847 /nfs/dbraw/zinc/16/98/47/429169847.db2.gz CTXFZOABVOTYNP-AWEZNQCLSA-N 2 1 318.396 2.665 20 0 DFADMP C[C@@H](Cc1ccccc1)C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364330100 429183561 /nfs/dbraw/zinc/18/35/61/429183561.db2.gz UFQMNXWGJFTQKN-ICSRJNTNSA-N 2 1 315.505 2.577 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)C1 ZINC000436279138 429193827 /nfs/dbraw/zinc/19/38/27/429193827.db2.gz ALONRBXWFYVFIS-IEBWSBKVSA-N 2 1 302.462 2.746 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC(C)(C)CCc3ccccc32)C1 ZINC000436279138 429193832 /nfs/dbraw/zinc/19/38/32/429193832.db2.gz ALONRBXWFYVFIS-IEBWSBKVSA-N 2 1 302.462 2.746 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2C[C@H](c3cccc(F)c3)C2)CC1 ZINC000436289684 429194099 /nfs/dbraw/zinc/19/40/99/429194099.db2.gz NILXIYCREZLXEA-RZDIXWSQSA-N 2 1 306.425 2.772 20 0 DFADMP Brc1c[nH+]ccc1N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000364170744 275377747 /nfs/dbraw/zinc/37/77/47/275377747.db2.gz GTYHODXKKDPDQT-GFCCVEGCSA-N 2 1 310.239 2.909 20 0 DFADMP O=C1O[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC12CCC2 ZINC000365234696 429284647 /nfs/dbraw/zinc/28/46/47/429284647.db2.gz PJWLOFXRIOJVMG-SJORKVTESA-N 2 1 320.477 2.670 20 0 DFADMP O=C1O[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC12CCC2 ZINC000365234696 429284649 /nfs/dbraw/zinc/28/46/49/429284649.db2.gz PJWLOFXRIOJVMG-SJORKVTESA-N 2 1 320.477 2.670 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000442767325 429234376 /nfs/dbraw/zinc/23/43/76/429234376.db2.gz YJTNDEOVZWVLPP-NWDGAFQWSA-N 2 1 320.824 2.602 20 0 DFADMP COc1cc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc(OC)c1 ZINC000364665561 429245593 /nfs/dbraw/zinc/24/55/93/429245593.db2.gz SYCUGOWMNFKEKZ-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc(OC)c1 ZINC000364665561 429245598 /nfs/dbraw/zinc/24/55/98/429245598.db2.gz SYCUGOWMNFKEKZ-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP Cc1ccc(C(=O)CC[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364669369 429246698 /nfs/dbraw/zinc/24/66/98/429246698.db2.gz DEFYMDNDRKQFSA-INIZCTEOSA-N 2 1 311.429 2.959 20 0 DFADMP Cc1ccc(C(=O)CC[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364669369 429246703 /nfs/dbraw/zinc/24/67/03/429246703.db2.gz DEFYMDNDRKQFSA-INIZCTEOSA-N 2 1 311.429 2.959 20 0 DFADMP C[N@H+](CCOc1ccc(F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364714309 429255176 /nfs/dbraw/zinc/25/51/76/429255176.db2.gz QOCXDIYGOVAODB-AWEZNQCLSA-N 2 1 303.381 2.595 20 0 DFADMP C[N@@H+](CCOc1ccc(F)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364714309 429255179 /nfs/dbraw/zinc/25/51/79/429255179.db2.gz QOCXDIYGOVAODB-AWEZNQCLSA-N 2 1 303.381 2.595 20 0 DFADMP COC(=O)[C@@H]1C[N@@H+](Cc2ccc(-n3ccnc3)cc2)CC1(C)C ZINC000364763967 429263529 /nfs/dbraw/zinc/26/35/29/429263529.db2.gz IXTOSKKHJKLLPV-INIZCTEOSA-N 2 1 313.401 2.503 20 0 DFADMP c1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](C3CC3)C1)OCCCCO2 ZINC000449073511 429324743 /nfs/dbraw/zinc/32/47/43/429324743.db2.gz IVPCRGJKGCMGQZ-MRXNPFEDSA-N 2 1 316.445 2.812 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[N@H+]1CCC[C@@H](C)C1 ZINC000449085162 429327540 /nfs/dbraw/zinc/32/75/40/429327540.db2.gz KUWRCZVZSFDTKE-HZPDHXFCSA-N 2 1 311.514 2.639 20 0 DFADMP C[NH2+][C@H](CC(C)(C)C)C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000449087869 429328989 /nfs/dbraw/zinc/32/89/89/429328989.db2.gz XFZHDOFUFAWOEY-HZPDHXFCSA-N 2 1 311.514 2.781 20 0 DFADMP COc1cc(F)cc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000449103654 429332695 /nfs/dbraw/zinc/33/26/95/429332695.db2.gz RLEGTFOLWHBVNX-GASCZTMLSA-N 2 1 324.440 2.813 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cnc([C@H]3CCCO3)s1)CC2 ZINC000365553351 429339975 /nfs/dbraw/zinc/33/99/75/429339975.db2.gz XSKDLHMVTCAMAI-TZMCWYRMSA-N 2 1 318.446 2.543 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+][C@@H]2CCCC23CCCCC3)C1 ZINC000449137609 429342802 /nfs/dbraw/zinc/34/28/02/429342802.db2.gz YOMPFISXATWKQJ-IAGOWNOFSA-N 2 1 321.509 2.666 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CC[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000425413393 429290115 /nfs/dbraw/zinc/29/01/15/429290115.db2.gz CNSFCMCGXLRWPL-SFHVURJKSA-N 2 1 318.461 2.749 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CC[C@H](C(=O)OC)c2ccccc2)CC1 ZINC000425413393 429290118 /nfs/dbraw/zinc/29/01/18/429290118.db2.gz CNSFCMCGXLRWPL-SFHVURJKSA-N 2 1 318.461 2.749 20 0 DFADMP C[C@H](N[C@@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425431044 429295443 /nfs/dbraw/zinc/29/54/43/429295443.db2.gz GYVOCYXGHPLTEX-YQQAZPJKSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000425431044 429295446 /nfs/dbraw/zinc/29/54/46/429295446.db2.gz GYVOCYXGHPLTEX-YQQAZPJKSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(C(C)(C)C)C1=O)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000425431044 429295450 /nfs/dbraw/zinc/29/54/50/429295450.db2.gz GYVOCYXGHPLTEX-YQQAZPJKSA-N 2 1 321.509 2.628 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449347687 429394383 /nfs/dbraw/zinc/39/43/83/429394383.db2.gz DGQPRBAXRDDTFQ-IXDOHACOSA-N 2 1 323.525 2.911 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CCCc3c(F)cccc32)CC1 ZINC000449351045 429395761 /nfs/dbraw/zinc/39/57/61/429395761.db2.gz NSLXUCBEKZRSQS-SFHVURJKSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@@H]([NH2+]CC1=CCOCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449405441 429405960 /nfs/dbraw/zinc/40/59/60/429405960.db2.gz YMPRRBMTWLQGCC-VQIMIIECSA-N 2 1 300.446 2.833 20 0 DFADMP CC(C)[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC000457118315 429408421 /nfs/dbraw/zinc/40/84/21/429408421.db2.gz MPNWKDUJNCCITD-WMZOPIPTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC000457118315 429408425 /nfs/dbraw/zinc/40/84/25/429408425.db2.gz MPNWKDUJNCCITD-WMZOPIPTSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[NH+]1CC[C@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000457118315 429408429 /nfs/dbraw/zinc/40/84/29/429408429.db2.gz MPNWKDUJNCCITD-WMZOPIPTSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3c[nH]c4nccnc34)C2)c1 ZINC000365616982 429351870 /nfs/dbraw/zinc/35/18/70/429351870.db2.gz MFYKKEOFFUFNDF-CQSZACIVSA-N 2 1 322.416 2.547 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3c[nH]c4nccnc34)C2)c1 ZINC000365616982 429351873 /nfs/dbraw/zinc/35/18/73/429351873.db2.gz MFYKKEOFFUFNDF-CQSZACIVSA-N 2 1 322.416 2.547 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](CO)CC3)sc2C1 ZINC000449186307 429353081 /nfs/dbraw/zinc/35/30/81/429353081.db2.gz KNHODECZXUTFCV-HDJSIYSDSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@H]3CC[C@H](CO)CC3)sc2C1 ZINC000449186307 429353084 /nfs/dbraw/zinc/35/30/84/429353084.db2.gz KNHODECZXUTFCV-HDJSIYSDSA-N 2 1 323.506 2.550 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@H]2CN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426708269 429409815 /nfs/dbraw/zinc/40/98/15/429409815.db2.gz IFIJASAESZVKON-SJORKVTESA-N 2 1 321.509 2.584 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000365660286 429359537 /nfs/dbraw/zinc/35/95/37/429359537.db2.gz NUIHUUIYQPEIPT-RNQOJCNYSA-N 2 1 319.537 2.937 20 0 DFADMP Cn1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449252980 429366591 /nfs/dbraw/zinc/36/65/91/429366591.db2.gz SFBWQPZWHDBCNS-UHFFFAOYSA-N 2 1 314.408 2.578 20 0 DFADMP C[N@@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000365759690 429369439 /nfs/dbraw/zinc/36/94/39/429369439.db2.gz VITVNKCBWJHQLT-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccnn1-c1ccccc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000365759690 429369443 /nfs/dbraw/zinc/36/94/43/429369443.db2.gz VITVNKCBWJHQLT-MRXNPFEDSA-N 2 1 321.428 2.763 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CC[N@@H+](C(C)C)C3)cnc21 ZINC000514742173 429369588 /nfs/dbraw/zinc/36/95/88/429369588.db2.gz LIODJRKJWGOKLP-OAHLLOKOSA-N 2 1 315.465 2.832 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+]C[C@H]3CC[N@H+](C(C)C)C3)cnc21 ZINC000514742173 429369591 /nfs/dbraw/zinc/36/95/91/429369591.db2.gz LIODJRKJWGOKLP-OAHLLOKOSA-N 2 1 315.465 2.832 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000491597661 429378641 /nfs/dbraw/zinc/37/86/41/429378641.db2.gz XVMYZYUDANNVFV-HNNXBMFYSA-N 2 1 314.477 2.836 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCS[C@H](C)CC1 ZINC000426388979 429388230 /nfs/dbraw/zinc/38/82/30/429388230.db2.gz CACWQTHKEBRKHP-CYBMUJFWSA-N 2 1 302.447 2.903 20 0 DFADMP CC1(C)CCC[N@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000457058816 429388787 /nfs/dbraw/zinc/38/87/87/429388787.db2.gz PYOHUOMMXCCTTL-KRWDZBQOSA-N 2 1 321.509 2.774 20 0 DFADMP CC1(C)CCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000457058816 429388791 /nfs/dbraw/zinc/38/87/91/429388791.db2.gz PYOHUOMMXCCTTL-KRWDZBQOSA-N 2 1 321.509 2.774 20 0 DFADMP CC1(C)CCC[NH+]1CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000457058816 429388795 /nfs/dbraw/zinc/38/87/95/429388795.db2.gz PYOHUOMMXCCTTL-KRWDZBQOSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000449520095 429442735 /nfs/dbraw/zinc/44/27/35/429442735.db2.gz FEKYIYSVXOYFOS-RBUKOAKNSA-N 2 1 315.505 2.781 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000449520095 429442739 /nfs/dbraw/zinc/44/27/39/429442739.db2.gz FEKYIYSVXOYFOS-RBUKOAKNSA-N 2 1 315.505 2.781 20 0 DFADMP COc1cc(CN2CCC([N@@H+]3CCOC[C@H]3C)CC2)ccc1C ZINC000518996123 429444207 /nfs/dbraw/zinc/44/42/07/429444207.db2.gz SWFJBJSASDPJRO-MRXNPFEDSA-N 2 1 318.461 2.689 20 0 DFADMP CC(C)[NH2+]CCCN[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000519537476 429463733 /nfs/dbraw/zinc/46/37/33/429463733.db2.gz FSKUDOMDWHNVNZ-XUVXKRRUSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000519537476 429463737 /nfs/dbraw/zinc/46/37/37/429463737.db2.gz FSKUDOMDWHNVNZ-XUVXKRRUSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000519537476 429463741 /nfs/dbraw/zinc/46/37/41/429463741.db2.gz FSKUDOMDWHNVNZ-XUVXKRRUSA-N 3 1 315.505 2.875 20 0 DFADMP C/C=C(/C=C/C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)CC ZINC000492110497 429469808 /nfs/dbraw/zinc/46/98/08/429469808.db2.gz KLAZOBWQZHCUIR-LNZCTPQCSA-N 2 1 314.433 2.684 20 0 DFADMP COCCC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1ccc(F)cc1 ZINC000518473064 429422612 /nfs/dbraw/zinc/42/26/12/429422612.db2.gz DOZIXNSETMEAHH-QGZVFWFLSA-N 2 1 305.397 2.859 20 0 DFADMP c1csc([C@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c2ncc[nH]2)c1 ZINC000366860512 429527039 /nfs/dbraw/zinc/52/70/39/429527039.db2.gz YTEVHWMERGKZLX-WFASDCNBSA-N 2 1 313.430 2.609 20 0 DFADMP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@H+](CCCc2c[nH+]cn2C)C1 ZINC000520834471 429529943 /nfs/dbraw/zinc/52/99/43/429529943.db2.gz CRIVBDNIMZHFOX-LSDHHAIUSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CCCc2c[nH+]cn2C)C1 ZINC000520834471 429529950 /nfs/dbraw/zinc/52/99/50/429529950.db2.gz CRIVBDNIMZHFOX-LSDHHAIUSA-N 2 1 321.465 2.652 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H](O)C(C)C)cc1F ZINC000366596102 429482113 /nfs/dbraw/zinc/48/21/13/429482113.db2.gz JJOVGUDDXZPEQD-PXAZEXFGSA-N 2 1 305.397 2.987 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428034694 429484159 /nfs/dbraw/zinc/48/41/59/429484159.db2.gz TXYPKBAIWMXFKT-OCCSQVGLSA-N 2 1 314.351 2.768 20 0 DFADMP FC(F)(F)c1ccccc1OCC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000428034694 429484162 /nfs/dbraw/zinc/48/41/62/429484162.db2.gz TXYPKBAIWMXFKT-OCCSQVGLSA-N 2 1 314.351 2.768 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722336 429488387 /nfs/dbraw/zinc/48/83/87/429488387.db2.gz KPJZHPOGGLTHHZ-DOTOQJQBSA-N 2 1 315.461 2.528 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000449716842 429488462 /nfs/dbraw/zinc/48/84/62/429488462.db2.gz DBYLGKDBOKTOBH-AEFFLSMTSA-N 2 1 317.477 2.774 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)cc1)C(C)C ZINC000449716843 429489031 /nfs/dbraw/zinc/48/90/31/429489031.db2.gz DBYLGKDBOKTOBH-FUHWJXTLSA-N 2 1 317.477 2.774 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000457582218 429490647 /nfs/dbraw/zinc/49/06/47/429490647.db2.gz RSMQMMVPGUVFBO-MAUKXSAKSA-N 2 1 321.509 2.582 20 0 DFADMP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000449735028 429491743 /nfs/dbraw/zinc/49/17/43/429491743.db2.gz FPXBIJQOPIUBCJ-WKWVNEEDSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449737620 429493557 /nfs/dbraw/zinc/49/35/57/429493557.db2.gz SZXHEBRXCKNBGO-QXCFHYIPSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CCC[N@@H+]1CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000449778700 429507264 /nfs/dbraw/zinc/50/72/64/429507264.db2.gz BXKDDXGVXLDAFL-UHFFFAOYSA-N 2 1 302.466 2.514 20 0 DFADMP CC1(C)CCC[N@H+]1CC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000449778700 429507268 /nfs/dbraw/zinc/50/72/68/429507268.db2.gz BXKDDXGVXLDAFL-UHFFFAOYSA-N 2 1 302.466 2.514 20 0 DFADMP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000428304591 429510267 /nfs/dbraw/zinc/51/02/67/429510267.db2.gz WQDUMIYQZPNJMR-AWEZNQCLSA-N 2 1 302.422 2.734 20 0 DFADMP CCc1nc(C)c(C[N@H+]2CCC[C@@H](Cc3[nH+]ccn3C)C2)o1 ZINC000428304591 429510274 /nfs/dbraw/zinc/51/02/74/429510274.db2.gz WQDUMIYQZPNJMR-AWEZNQCLSA-N 2 1 302.422 2.734 20 0 DFADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428375816 429515495 /nfs/dbraw/zinc/51/54/95/429515495.db2.gz CYVCVAJQZRUJTE-GOEBONIOSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428375816 429515499 /nfs/dbraw/zinc/51/54/99/429515499.db2.gz CYVCVAJQZRUJTE-GOEBONIOSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000428375816 429515503 /nfs/dbraw/zinc/51/55/03/429515503.db2.gz CYVCVAJQZRUJTE-GOEBONIOSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000428375816 429515505 /nfs/dbraw/zinc/51/55/05/429515505.db2.gz CYVCVAJQZRUJTE-GOEBONIOSA-N 2 1 303.450 2.994 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N(CCC[NH3+])CC1CCCC1 ZINC000520579416 429521470 /nfs/dbraw/zinc/52/14/70/429521470.db2.gz UQBINQXFQMXJTR-KRWDZBQOSA-N 2 1 309.498 2.619 20 0 DFADMP CC(C)CCC[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000275792766 275875369 /nfs/dbraw/zinc/87/53/69/275875369.db2.gz NWWAVGMZQXECGD-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000367117532 429580700 /nfs/dbraw/zinc/58/07/00/429580700.db2.gz QFTZKBOLAMMFPI-QGZVFWFLSA-N 2 1 321.896 2.799 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](Cc3cccc(Cl)c3)C2)CC1 ZINC000367117532 429580705 /nfs/dbraw/zinc/58/07/05/429580705.db2.gz QFTZKBOLAMMFPI-QGZVFWFLSA-N 2 1 321.896 2.799 20 0 DFADMP CCn1nccc1CC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000367121030 429583412 /nfs/dbraw/zinc/58/34/12/429583412.db2.gz LDEWYPWVGMRULX-UHFFFAOYSA-N 2 1 313.449 2.725 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000428561431 429534433 /nfs/dbraw/zinc/53/44/33/429534433.db2.gz DYPLYRWEJWHFIZ-OAHLLOKOSA-N 2 1 311.429 2.865 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000428561431 429534440 /nfs/dbraw/zinc/53/44/40/429534440.db2.gz DYPLYRWEJWHFIZ-OAHLLOKOSA-N 2 1 311.429 2.865 20 0 DFADMP CN1CC[NH+]=C1NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccc(Cl)c1 ZINC000366932234 429543748 /nfs/dbraw/zinc/54/37/48/429543748.db2.gz JXLIYHYETJSBHK-GOEBONIOSA-N 2 1 320.868 2.614 20 0 DFADMP C[N@H+]1CCCC[C@H]1CN1CC[NH+](C[C@@H]2CCC(F)(F)C2)CC1 ZINC000450392682 429615414 /nfs/dbraw/zinc/61/54/14/429615414.db2.gz OVVXJVQHGYSPAU-CVEARBPZSA-N 2 1 315.452 2.524 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](C[C@H](O)c1ccccc1)CC2)C1CC1 ZINC000367308928 429616336 /nfs/dbraw/zinc/61/63/36/429616336.db2.gz GFPZGKUMRMLOGJ-HKUYNNGSSA-N 2 1 314.473 2.916 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000367309257 429617013 /nfs/dbraw/zinc/61/70/13/429617013.db2.gz UXCBUVFQEWVZJV-UONOGXRCSA-N 2 1 301.390 2.995 20 0 DFADMP COc1ccc(O)cc1[C@H](C)N1CCC[C@@H](n2ccnc2)C1 ZINC000367309257 429617020 /nfs/dbraw/zinc/61/70/20/429617020.db2.gz UXCBUVFQEWVZJV-UONOGXRCSA-N 2 1 301.390 2.995 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)N2[C@H](C)CCC[C@@H]2C)CC1 ZINC000524156123 429621327 /nfs/dbraw/zinc/62/13/27/429621327.db2.gz KYTDKZNUHXXCNA-CALCHBBNSA-N 2 1 323.525 2.828 20 0 DFADMP CCCC[C@@H](C[NH3+])NC(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C ZINC000429628823 429622995 /nfs/dbraw/zinc/62/29/95/429622995.db2.gz TYLAPPKVGOLQGD-GJZGRUSLSA-N 2 1 311.857 2.576 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3CC[N@@H+]4CCOC[C@@H]4C3)c2c1 ZINC000450434619 429625310 /nfs/dbraw/zinc/62/53/10/429625310.db2.gz DKALXKGRLMJELO-INIZCTEOSA-N 2 1 311.429 2.708 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3CC[N@H+]4CCOC[C@@H]4C3)c2c1 ZINC000450434619 429625311 /nfs/dbraw/zinc/62/53/11/429625311.db2.gz DKALXKGRLMJELO-INIZCTEOSA-N 2 1 311.429 2.708 20 0 DFADMP CCc1cc(CCC[N@@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)on1 ZINC000450438851 429627506 /nfs/dbraw/zinc/62/75/06/429627506.db2.gz MYLWIIWDTBFQOJ-INIZCTEOSA-N 2 1 305.466 2.977 20 0 DFADMP CCc1cc(CCC[N@H+]2CC[C@@H](C[NH+]3CCCCC3)C2)on1 ZINC000450438851 429627509 /nfs/dbraw/zinc/62/75/09/429627509.db2.gz MYLWIIWDTBFQOJ-INIZCTEOSA-N 2 1 305.466 2.977 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000524720215 429631373 /nfs/dbraw/zinc/63/13/73/429631373.db2.gz CVTZXTHGHTWIFC-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)[C@H](C)c1ccccc1 ZINC000450478494 429637738 /nfs/dbraw/zinc/63/77/38/429637738.db2.gz GUVUXTWSGHRVEG-OQIJWPOYSA-N 2 1 302.462 2.710 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561260 429648605 /nfs/dbraw/zinc/64/86/05/429648605.db2.gz GXKOTHYEMZXSQC-FPAYPSAMSA-N 2 1 304.478 2.813 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561260 429648608 /nfs/dbraw/zinc/64/86/08/429648608.db2.gz GXKOTHYEMZXSQC-FPAYPSAMSA-N 2 1 304.478 2.813 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@H](C)c2ccccc2)[C@H](C)C1 ZINC000450561260 429648614 /nfs/dbraw/zinc/64/86/14/429648614.db2.gz GXKOTHYEMZXSQC-FPAYPSAMSA-N 2 1 304.478 2.813 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000458160447 429590269 /nfs/dbraw/zinc/59/02/69/429590269.db2.gz GBELNRQOJJRCSN-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000458160447 429590272 /nfs/dbraw/zinc/59/02/72/429590272.db2.gz GBELNRQOJJRCSN-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NCC[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000458160447 429590277 /nfs/dbraw/zinc/59/02/77/429590277.db2.gz GBELNRQOJJRCSN-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP COC(=O)c1oc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)cc1C ZINC000367199210 429595595 /nfs/dbraw/zinc/59/55/95/429595595.db2.gz IWGIUWMJMATYJP-UHFFFAOYSA-N 2 1 320.433 2.682 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CC2=CCCCC2)CC1 ZINC000450332738 429600724 /nfs/dbraw/zinc/60/07/24/429600724.db2.gz XTTTXURXGKFTDW-HDICACEKSA-N 2 1 305.510 2.977 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@]1(CO)C[C@H]1c1ccc(F)cc1 ZINC000429430558 429607754 /nfs/dbraw/zinc/60/77/54/429607754.db2.gz RYBCDTQAWCKBDL-CUDZTTRCSA-N 2 1 320.452 2.610 20 0 DFADMP OC[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)C[C@H]1c1ccc(F)cc1 ZINC000429407613 429608730 /nfs/dbraw/zinc/60/87/30/429608730.db2.gz JXFMRGPSIDMENA-YDZRNGNQSA-N 2 1 318.436 2.508 20 0 DFADMP C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000450613007 429660822 /nfs/dbraw/zinc/66/08/22/429660822.db2.gz LUYKAQDMQAHANE-QRVBRYPASA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)[C@H]1CCC[N@H+](CC[C@@H]2CCOC2)CC1 ZINC000450613007 429660828 /nfs/dbraw/zinc/66/08/28/429660828.db2.gz LUYKAQDMQAHANE-QRVBRYPASA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)[C@H]1CCC[N@@H+](CC[C@@H]2CCOC2)CC1 ZINC000450613007 429660831 /nfs/dbraw/zinc/66/08/31/429660831.db2.gz LUYKAQDMQAHANE-QRVBRYPASA-N 2 1 324.509 2.626 20 0 DFADMP C[C@H]1C[N@@H+](CCC2=CCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450646460 429669622 /nfs/dbraw/zinc/66/96/22/429669622.db2.gz MVNPGORROPUJTM-HKUYNNGSSA-N 2 1 305.510 2.835 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]C2CCCCC2)c2cccs2)CC1 ZINC000525694111 429666614 /nfs/dbraw/zinc/66/66/14/429666614.db2.gz UEJIDIOUKYSDGZ-INIZCTEOSA-N 2 1 307.507 2.959 20 0 DFADMP OCCC[N@H+]1CCC[C@H]1CNc1ccnc2cc(F)ccc21 ZINC000450590386 429653669 /nfs/dbraw/zinc/65/36/69/429653669.db2.gz DPQJSWCPQRUFRN-AWEZNQCLSA-N 2 1 303.381 2.633 20 0 DFADMP OCCC[N@@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(F)ccc12 ZINC000450590386 429653673 /nfs/dbraw/zinc/65/36/73/429653673.db2.gz DPQJSWCPQRUFRN-AWEZNQCLSA-N 2 1 303.381 2.633 20 0 DFADMP OCCC[N@H+]1CCC[C@H]1CNc1cc[nH+]c2cc(F)ccc12 ZINC000450590386 429653676 /nfs/dbraw/zinc/65/36/76/429653676.db2.gz DPQJSWCPQRUFRN-AWEZNQCLSA-N 2 1 303.381 2.633 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C ZINC000359799664 276110848 /nfs/dbraw/zinc/11/08/48/276110848.db2.gz NACFLYWGMPKBOB-APWZRJJASA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(C)C[C@H]1C ZINC000359799664 276110849 /nfs/dbraw/zinc/11/08/49/276110849.db2.gz NACFLYWGMPKBOB-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357116436 276122970 /nfs/dbraw/zinc/12/29/70/276122970.db2.gz FURKKFICWXBQPQ-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000364864506 276179779 /nfs/dbraw/zinc/17/97/79/276179779.db2.gz CVOHVJHZDFPRFQ-VNTMZGSJSA-N 2 1 319.537 2.937 20 0 DFADMP CC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367598203 429680148 /nfs/dbraw/zinc/68/01/48/429680148.db2.gz DDKBYJPJJXDZQQ-KSZLIROESA-N 2 1 301.434 2.607 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CC(C)=C[C@@H](C)C3)C2)CC1 ZINC000356219309 276198470 /nfs/dbraw/zinc/19/84/70/276198470.db2.gz GTDDIJJXVKDCGU-BHIYHBOVSA-N 2 1 305.510 2.691 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](C)[C@H]2c2ccccc2)[C@H](C)C1 ZINC000369849760 276229401 /nfs/dbraw/zinc/22/94/01/276229401.db2.gz CZRUFKMMAWWMOC-GTAWCEEGSA-N 2 1 315.505 2.999 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)[C@H](C)C1 ZINC000369849760 276229402 /nfs/dbraw/zinc/22/94/02/276229402.db2.gz CZRUFKMMAWWMOC-GTAWCEEGSA-N 2 1 315.505 2.999 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)[C@H](C)C1 ZINC000369849760 276229403 /nfs/dbraw/zinc/22/94/03/276229403.db2.gz CZRUFKMMAWWMOC-GTAWCEEGSA-N 2 1 315.505 2.999 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)[C@@H](C)C1 ZINC000269021726 276229790 /nfs/dbraw/zinc/22/97/90/276229790.db2.gz QDBOIBFUTJFNKQ-NBMJBFSESA-N 2 1 304.478 2.861 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)[C@H](C)C1 ZINC000167473386 276230517 /nfs/dbraw/zinc/23/05/17/276230517.db2.gz NZDDAHPSMDWEQE-CPUCHLNUSA-N 2 1 323.431 2.863 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000430552745 429690154 /nfs/dbraw/zinc/69/01/54/429690154.db2.gz KOEGACFXGPYZCM-UONOGXRCSA-N 2 1 307.413 2.522 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000367611162 429684588 /nfs/dbraw/zinc/68/45/88/429684588.db2.gz AMJWTZDAZSSYOS-LEAZDLGRSA-N 2 1 313.489 2.975 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367606441 429685096 /nfs/dbraw/zinc/68/50/96/429685096.db2.gz KATHSVPRGHYXMV-AXUOBQJMSA-N 2 1 318.461 2.925 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548574 429688989 /nfs/dbraw/zinc/68/89/89/429688989.db2.gz MCSRQKFURWWRRW-JCCCHCCOSA-N 2 1 321.509 2.615 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548574 429688990 /nfs/dbraw/zinc/68/89/90/429688990.db2.gz MCSRQKFURWWRRW-JCCCHCCOSA-N 2 1 321.509 2.615 20 0 DFADMP C[C@@](C[NH3+])([NH2+]CCC(=O)Nc1ccc(Cl)cc1F)C1CC1 ZINC000430590452 429698634 /nfs/dbraw/zinc/69/86/34/429698634.db2.gz KZPPIVQZFZSPBV-HNNXBMFYSA-N 2 1 313.804 2.525 20 0 DFADMP Cc1cccc2ncc(C[N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)n21 ZINC000367657788 429693171 /nfs/dbraw/zinc/69/31/71/429693171.db2.gz KMGHOFNGGRKPEL-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1cccc2ncc(C[N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)n21 ZINC000367657788 429693176 /nfs/dbraw/zinc/69/31/76/429693176.db2.gz KMGHOFNGGRKPEL-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)CC(=O)Nc1c(C)cccc1C ZINC000359229656 276343032 /nfs/dbraw/zinc/34/30/32/276343032.db2.gz YMWPXXYQPMSSRE-UHFFFAOYSA-N 2 1 317.477 2.954 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2C[C@@H](C)[N@@H+](CCO)[C@@H](C)C2)c1C ZINC000450787022 429699816 /nfs/dbraw/zinc/69/98/16/429699816.db2.gz BGSFEZHKDYBNFU-OKILXGFUSA-N 2 1 313.445 2.743 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000367689731 429701605 /nfs/dbraw/zinc/70/16/05/429701605.db2.gz RZZAKSGVHQCPEF-INIZCTEOSA-N 2 1 318.509 2.709 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430643518 429706208 /nfs/dbraw/zinc/70/62/08/429706208.db2.gz MBUSOMDWCZCOGB-NUJGCVRESA-N 2 1 317.477 2.703 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CCC[C@H](C[NH3+])C1)c1ccccc1 ZINC000430643518 429706210 /nfs/dbraw/zinc/70/62/10/429706210.db2.gz MBUSOMDWCZCOGB-NUJGCVRESA-N 2 1 317.477 2.703 20 0 DFADMP CC(C)c1cc(NCCC[N@@H+]2CCCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000462931706 429706308 /nfs/dbraw/zinc/70/63/08/429706308.db2.gz NUAIUYDPBCBJJO-HNNXBMFYSA-N 2 1 319.497 3.342 20 0 DFADMP CC(C)c1cc(NCCC[N@H+]2CCCC[C@@H]2C)nc(N(C)C)[nH+]1 ZINC000462931706 429706310 /nfs/dbraw/zinc/70/63/10/429706310.db2.gz NUAIUYDPBCBJJO-HNNXBMFYSA-N 2 1 319.497 3.342 20 0 DFADMP CC(C)c1cc(N2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)nc(N(C)C)[nH+]1 ZINC000481984959 429723055 /nfs/dbraw/zinc/72/30/55/429723055.db2.gz OJHAAVVNVCQRPR-GDBMZVCRSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)nc(N(C)C)[nH+]1 ZINC000481984959 429723058 /nfs/dbraw/zinc/72/30/58/429723058.db2.gz OJHAAVVNVCQRPR-GDBMZVCRSA-N 2 1 317.481 2.587 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1[NH3+] ZINC000430915556 429723462 /nfs/dbraw/zinc/72/34/62/429723462.db2.gz DCGDTPHJWHOAPB-BEFAXECRSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+]([C@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000430950871 429727232 /nfs/dbraw/zinc/72/72/32/429727232.db2.gz JJGNAUUNHJNNRP-ZIAGYGMSSA-N 2 1 314.433 2.781 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1[NH3+] ZINC000430950794 429727825 /nfs/dbraw/zinc/72/78/25/429727825.db2.gz SMJPDFWVIXHCDX-HNAYVOBHSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](CCOc2ccc(C(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000430951632 429729961 /nfs/dbraw/zinc/72/99/61/429729961.db2.gz VWZDKVQBYSLZBD-BXUZGUMPSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]1[C@@H]([NH+]2CCCC2)CCN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000367855729 429730443 /nfs/dbraw/zinc/73/04/43/429730443.db2.gz IXEZXFJRHVZALN-LPHOPBHVSA-N 2 1 319.468 2.816 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872067 429732645 /nfs/dbraw/zinc/73/26/45/429732645.db2.gz WPAUZWDOOGOGAU-ROUUACIJSA-N 2 1 306.425 2.593 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872067 429732649 /nfs/dbraw/zinc/73/26/49/429732649.db2.gz WPAUZWDOOGOGAU-ROUUACIJSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872067 429732653 /nfs/dbraw/zinc/73/26/53/429732653.db2.gz WPAUZWDOOGOGAU-ROUUACIJSA-N 2 1 306.425 2.593 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@@](O)(c2ccc(F)cc2)C1 ZINC000367872067 429732655 /nfs/dbraw/zinc/73/26/55/429732655.db2.gz WPAUZWDOOGOGAU-ROUUACIJSA-N 2 1 306.425 2.593 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000431045774 429737812 /nfs/dbraw/zinc/73/78/12/429737812.db2.gz AIMQHSBZRILMAU-BRWVUGGUSA-N 2 1 309.498 2.521 20 0 DFADMP Cc1nn(C)c2sc([C@H](C)[NH2+][C@H]3CCc4[nH+]ccn4C3)cc12 ZINC000367895026 429739177 /nfs/dbraw/zinc/73/91/77/429739177.db2.gz GWYOLBNANWJROS-RYUDHWBXSA-N 2 1 315.446 2.805 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[N@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071583 429740523 /nfs/dbraw/zinc/74/05/23/429740523.db2.gz VONVOVLNLSOUIA-NSHDSACASA-N 2 1 322.840 2.980 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[N@@H+](C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000431071583 429740528 /nfs/dbraw/zinc/74/05/28/429740528.db2.gz VONVOVLNLSOUIA-NSHDSACASA-N 2 1 322.840 2.980 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000431101120 429741775 /nfs/dbraw/zinc/74/17/75/429741775.db2.gz XQOHBXVQOZKKIJ-CQSZACIVSA-N 2 1 318.396 2.610 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2Cc2ccc(F)cc2)n1 ZINC000431101120 429741777 /nfs/dbraw/zinc/74/17/77/429741777.db2.gz XQOHBXVQOZKKIJ-CQSZACIVSA-N 2 1 318.396 2.610 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000527787459 429798507 /nfs/dbraw/zinc/79/85/07/429798507.db2.gz CGCBJMPFOSFRFM-IZIZEDOESA-N 2 1 300.446 2.808 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC23CC(C2)CO3)CC[N@H+]1Cc1ccccc1 ZINC000527787459 429798511 /nfs/dbraw/zinc/79/85/11/429798511.db2.gz CGCBJMPFOSFRFM-IZIZEDOESA-N 2 1 300.446 2.808 20 0 DFADMP Cc1ccc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c(C)c1 ZINC000368050208 429774911 /nfs/dbraw/zinc/77/49/11/429774911.db2.gz DNFBUFYSIALEKM-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527663676 429775127 /nfs/dbraw/zinc/77/51/27/429775127.db2.gz BLOQDWMYXVZIRE-KNTRFNDTSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527663676 429775131 /nfs/dbraw/zinc/77/51/31/429775131.db2.gz BLOQDWMYXVZIRE-KNTRFNDTSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]1C[C@@H](NCc2ncc(Br)cc2F)CC[N@H+]1C ZINC000527668956 429776701 /nfs/dbraw/zinc/77/67/01/429776701.db2.gz VIBOCJMEFXOTKJ-ONGXEEELSA-N 2 1 316.218 2.556 20 0 DFADMP C[C@H]1CCC[N@@H+](CCNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000431748855 429780423 /nfs/dbraw/zinc/78/04/23/429780423.db2.gz JCLJPVOXPJZHNC-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692316 429780887 /nfs/dbraw/zinc/78/08/87/429780887.db2.gz SBFFKQFNKAFFPU-DSYPUSFNSA-N 2 1 314.473 2.777 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000431841386 429785508 /nfs/dbraw/zinc/78/55/08/429785508.db2.gz BWXUDSLUGJDTHX-MSOLQXFVSA-N 2 1 321.509 2.585 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccnn1-c1ccccc1 ZINC000368103989 429788588 /nfs/dbraw/zinc/78/85/88/429788588.db2.gz ZSLIOPZXRRTBRP-UONOGXRCSA-N 2 1 307.401 2.804 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)c1ccc(F)cc1N(C)C ZINC000368103665 429788751 /nfs/dbraw/zinc/78/87/51/429788751.db2.gz XTPSBEXVCQHDCK-WCQYABFASA-N 2 1 302.397 2.823 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)c(OC)c1 ZINC000368105167 429788874 /nfs/dbraw/zinc/78/88/74/429788874.db2.gz OUCSCUKVGBNOCH-NEPJUHHUSA-N 2 1 301.390 2.635 20 0 DFADMP COc1ncc([C@H](C)[NH2+][C@H]2CCc3[nH]cnc3C2)cc1Cl ZINC000368103462 429789129 /nfs/dbraw/zinc/78/91/29/429789129.db2.gz VXEIDVYYVVTUSJ-ONGXEEELSA-N 2 1 306.797 2.675 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H]1CCc2[nH]cnc2C1 ZINC000368105071 429789466 /nfs/dbraw/zinc/78/94/66/429789466.db2.gz NUCMNLDHZVJRCB-GXFFZTMASA-N 2 1 301.365 2.692 20 0 DFADMP Cc1c([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)cnn1C(C)(C)C ZINC000368103528 429789844 /nfs/dbraw/zinc/78/98/44/429789844.db2.gz WQXNDIVZBOUKIF-DGCLKSJQSA-N 2 1 301.438 2.878 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C/C=C\c2ccc(F)cc2)CCCO1 ZINC000432357738 429817455 /nfs/dbraw/zinc/81/74/55/429817455.db2.gz NFMBDBBTQQMJHG-ASKPUQFJSA-N 2 1 306.425 2.929 20 0 DFADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432411011 429822402 /nfs/dbraw/zinc/82/24/02/429822402.db2.gz UPWVMBBRJIBSTI-BRWVUGGUSA-N 2 1 312.498 2.669 20 0 DFADMP CC(C)O[C@@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)C1(C)C ZINC000432411011 429822405 /nfs/dbraw/zinc/82/24/05/429822405.db2.gz UPWVMBBRJIBSTI-BRWVUGGUSA-N 2 1 312.498 2.669 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000527935536 429823703 /nfs/dbraw/zinc/82/37/03/429823703.db2.gz ZWIMAWLIZAPSOV-PASDCYSWSA-N 2 1 316.445 2.679 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+]2C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000527952046 429827258 /nfs/dbraw/zinc/82/72/58/429827258.db2.gz SRXFDEVIUNSMJU-ZSYWTGECSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@@H+]2C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000527952046 429827262 /nfs/dbraw/zinc/82/72/62/429827262.db2.gz SRXFDEVIUNSMJU-ZSYWTGECSA-N 2 1 305.510 2.856 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+]2C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000527952046 429827264 /nfs/dbraw/zinc/82/72/64/429827264.db2.gz SRXFDEVIUNSMJU-ZSYWTGECSA-N 2 1 305.510 2.856 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000527952046 429827268 /nfs/dbraw/zinc/82/72/68/429827268.db2.gz SRXFDEVIUNSMJU-ZSYWTGECSA-N 2 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)[C@H]2CCC[C@H]21 ZINC000527952046 429827270 /nfs/dbraw/zinc/82/72/70/429827270.db2.gz SRXFDEVIUNSMJU-ZSYWTGECSA-N 2 1 305.510 2.856 20 0 DFADMP OC1CC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000528019953 429836959 /nfs/dbraw/zinc/83/69/59/429836959.db2.gz VWXMAWHMZXCOFX-MHHKEESVSA-N 2 1 300.446 2.543 20 0 DFADMP c1ccc(COC2CC([NH2+][C@@H]3CC[N@@H+]4CCCC[C@@H]34)C2)cc1 ZINC000493888959 429846170 /nfs/dbraw/zinc/84/61/70/429846170.db2.gz QTOREDBQUQSQIC-GMNCBBECSA-N 2 1 300.446 2.951 20 0 DFADMP c1ccc(COC2CC([NH2+][C@@H]3CC[N@H+]4CCCC[C@@H]34)C2)cc1 ZINC000493888959 429846175 /nfs/dbraw/zinc/84/61/75/429846175.db2.gz QTOREDBQUQSQIC-GMNCBBECSA-N 2 1 300.446 2.951 20 0 DFADMP CCN(C(=O)[C@H](C)[C@H](C)[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000493953591 429851465 /nfs/dbraw/zinc/85/14/65/429851465.db2.gz VJXBRWRMHQFYFE-MUQADHOPSA-N 2 1 317.477 2.654 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC2(CCC[N@H+]2C)CC1)[NH+]1CCCCC1 ZINC000368460647 429852584 /nfs/dbraw/zinc/85/25/84/429852584.db2.gz AUEFYGXNSAYEJI-KRWDZBQOSA-N 2 1 321.509 2.584 20 0 DFADMP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1F ZINC000368504226 429858728 /nfs/dbraw/zinc/85/87/28/429858728.db2.gz UBLVXXYUANARLC-UKRRQHHQSA-N 2 1 317.408 2.814 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000368530630 429863180 /nfs/dbraw/zinc/86/31/80/429863180.db2.gz OHERSOXMCNXQFC-VQIMIIECSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000368530630 429863183 /nfs/dbraw/zinc/86/31/83/429863183.db2.gz OHERSOXMCNXQFC-VQIMIIECSA-N 2 1 312.461 2.983 20 0 DFADMP Fc1cncc(CNC[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000494563689 429880370 /nfs/dbraw/zinc/88/03/70/429880370.db2.gz IKKYAELIKSOYJX-QGZVFWFLSA-N 2 1 313.420 2.875 20 0 DFADMP Fc1cncc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)c1 ZINC000494563689 429880374 /nfs/dbraw/zinc/88/03/74/429880374.db2.gz IKKYAELIKSOYJX-QGZVFWFLSA-N 2 1 313.420 2.875 20 0 DFADMP Fc1cncc(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)c1 ZINC000494563689 429880377 /nfs/dbraw/zinc/88/03/77/429880377.db2.gz IKKYAELIKSOYJX-QGZVFWFLSA-N 2 1 313.420 2.875 20 0 DFADMP C/C(Cl)=C/CN1CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC000528383330 429882782 /nfs/dbraw/zinc/88/27/82/429882782.db2.gz SIHFIBNROFYGHO-IUXPMGMMSA-N 2 1 321.896 2.879 20 0 DFADMP CO[C@H](CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1)c1ccc(F)cc1 ZINC000528408374 429885954 /nfs/dbraw/zinc/88/59/54/429885954.db2.gz UQACDEIELRBHCE-KBAYOESNSA-N 2 1 306.425 2.929 20 0 DFADMP C(CC[NH+]1CCO[C@@H]2CCC[C@H]21)CC[N@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000368736152 429890956 /nfs/dbraw/zinc/89/09/56/429890956.db2.gz NHGVHQXZZAXYKL-FCGDIQPGSA-N 2 1 322.493 2.663 20 0 DFADMP C(CC[NH+]1CCO[C@@H]2CCC[C@@H]21)CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000368736152 429890958 /nfs/dbraw/zinc/89/09/58/429890958.db2.gz NHGVHQXZZAXYKL-FCGDIQPGSA-N 2 1 322.493 2.663 20 0 DFADMP C(CC[NH+]1CCO[C@@H]2CCC[C@@H]21)CC[N@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000368736152 429890959 /nfs/dbraw/zinc/89/09/59/429890959.db2.gz NHGVHQXZZAXYKL-FCGDIQPGSA-N 2 1 322.493 2.663 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000528512750 429895559 /nfs/dbraw/zinc/89/55/59/429895559.db2.gz NFUQFHJHFJHENZ-MOPGFXCFSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000528512750 429895560 /nfs/dbraw/zinc/89/55/60/429895560.db2.gz NFUQFHJHFJHENZ-MOPGFXCFSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000528512750 429895561 /nfs/dbraw/zinc/89/55/61/429895561.db2.gz NFUQFHJHFJHENZ-MOPGFXCFSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](C[N@@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000528519705 429896491 /nfs/dbraw/zinc/89/64/91/429896491.db2.gz VTFZTBWIRHDPDK-ROUUACIJSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1)c1ccc(F)cc1 ZINC000528519705 429896493 /nfs/dbraw/zinc/89/64/93/429896493.db2.gz VTFZTBWIRHDPDK-ROUUACIJSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1)c1ccc(F)cc1 ZINC000528519705 429896495 /nfs/dbraw/zinc/89/64/95/429896495.db2.gz VTFZTBWIRHDPDK-ROUUACIJSA-N 2 1 306.425 2.931 20 0 DFADMP CO[C@@H](C[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1)c1ccc(F)cc1 ZINC000528519705 429896497 /nfs/dbraw/zinc/89/64/97/429896497.db2.gz VTFZTBWIRHDPDK-ROUUACIJSA-N 2 1 306.425 2.931 20 0 DFADMP Fc1cccc(N2CCCC2)c1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000368844356 429897904 /nfs/dbraw/zinc/89/79/04/429897904.db2.gz HBXDQAJFYBCYGG-CQSZACIVSA-N 2 1 314.408 2.727 20 0 DFADMP CCCOc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000368844986 429898029 /nfs/dbraw/zinc/89/80/29/429898029.db2.gz KKQWPCAYHQENED-OAHLLOKOSA-N 2 1 315.417 2.785 20 0 DFADMP CCCOc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1OC ZINC000368845500 429898350 /nfs/dbraw/zinc/89/83/50/429898350.db2.gz MGBFMWYBZCCPHP-HNNXBMFYSA-N 2 1 315.417 2.785 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc(Cl)c1OC ZINC000368847402 429898836 /nfs/dbraw/zinc/89/88/36/429898836.db2.gz YTLHAJSJUSKBFM-GFCCVEGCSA-N 2 1 321.808 2.658 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H](c2ccnn2C)C1)[NH+]1CCCC1 ZINC000369144296 429915480 /nfs/dbraw/zinc/91/54/80/429915480.db2.gz OCVRWSVNOHTOMQ-BRWVUGGUSA-N 2 1 304.482 2.910 20 0 DFADMP Cn1cncc1CC[N@H+]1CCCC[C@H]1c1nnc(C2CCC2)o1 ZINC000639645456 429929190 /nfs/dbraw/zinc/92/91/90/429929190.db2.gz DSWHKIKGYHPNOY-HNNXBMFYSA-N 2 1 315.421 2.840 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(CNC(=O)CCCC[NH3+])cc2)C1 ZINC000573086656 429924435 /nfs/dbraw/zinc/92/44/35/429924435.db2.gz MWWZGUHPTQAFRY-INIZCTEOSA-N 2 1 317.477 2.664 20 0 DFADMP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)c(C)s1 ZINC000369352968 429927169 /nfs/dbraw/zinc/92/71/69/429927169.db2.gz ATCNVWCYVOCKDF-QGZVFWFLSA-N 2 1 307.507 2.577 20 0 DFADMP Cc1cc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)s1 ZINC000369352968 429927173 /nfs/dbraw/zinc/92/71/73/429927173.db2.gz ATCNVWCYVOCKDF-QGZVFWFLSA-N 2 1 307.507 2.577 20 0 DFADMP CC[C@@H](c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369352752 429927838 /nfs/dbraw/zinc/92/78/38/429927838.db2.gz AIZMXABJTOSMNO-MOPGFXCFSA-N 2 1 301.478 2.850 20 0 DFADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000368578433 429870967 /nfs/dbraw/zinc/87/09/67/429870967.db2.gz NAKJDTGBMUCHLP-BRWVUGGUSA-N 2 1 312.498 2.528 20 0 DFADMP Cc1ccc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000368584338 429872126 /nfs/dbraw/zinc/87/21/26/429872126.db2.gz MIWCWGKDQXSFIH-CQSZACIVSA-N 2 1 307.507 2.657 20 0 DFADMP C[C@H](C[C@@H](C)[NH2+]C[C@H](C1CC1)[NH+](C)C)NC(=O)OC(C)(C)C ZINC000494473657 429875087 /nfs/dbraw/zinc/87/50/87/429875087.db2.gz VRUBPGLOQHRCFV-UMVBOHGHSA-N 2 1 313.486 2.608 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484476 429954673 /nfs/dbraw/zinc/95/46/73/429954673.db2.gz NAOQWUYHIHUADR-CJNGLKHVSA-N 2 1 300.406 2.586 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484476 429954678 /nfs/dbraw/zinc/95/46/78/429954678.db2.gz NAOQWUYHIHUADR-CJNGLKHVSA-N 2 1 300.406 2.586 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484476 429954682 /nfs/dbraw/zinc/95/46/82/429954682.db2.gz NAOQWUYHIHUADR-CJNGLKHVSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484476 429954686 /nfs/dbraw/zinc/95/46/86/429954686.db2.gz NAOQWUYHIHUADR-CJNGLKHVSA-N 2 1 300.406 2.586 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)CC[C@@H]21 ZINC000369484476 429954690 /nfs/dbraw/zinc/95/46/90/429954690.db2.gz NAOQWUYHIHUADR-CJNGLKHVSA-N 2 1 300.406 2.586 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1n1ccnc1 ZINC000369484531 429955818 /nfs/dbraw/zinc/95/58/18/429955818.db2.gz NIFPGWFLGWYPQE-CZUORRHYSA-N 2 1 311.389 2.949 20 0 DFADMP CC(C)c1n[nH]c(CC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000639717022 429958238 /nfs/dbraw/zinc/95/82/38/429958238.db2.gz URNKXVDXMLIITO-INIZCTEOSA-N 2 1 319.497 2.667 20 0 DFADMP C[N@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748378 429967647 /nfs/dbraw/zinc/96/76/47/429967647.db2.gz ZNGVYLTVVOLSKD-RTBURBONSA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748378 429967649 /nfs/dbraw/zinc/96/76/49/429967649.db2.gz ZNGVYLTVVOLSKD-RTBURBONSA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C[C@@H]1C(C)(C)C ZINC000639748378 429967653 /nfs/dbraw/zinc/96/76/53/429967653.db2.gz ZNGVYLTVVOLSKD-RTBURBONSA-N 2 1 315.505 2.923 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cncn3Cc3ccccc3)C2)CC1 ZINC000639755081 429969905 /nfs/dbraw/zinc/96/99/05/429969905.db2.gz FBQWFVAEQCKDNQ-UHFFFAOYSA-N 2 1 324.472 2.849 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000558419615 429971740 /nfs/dbraw/zinc/97/17/40/429971740.db2.gz SGMLBTWPKHDWGJ-QGZVFWFLSA-N 2 1 302.462 2.874 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639759874 429972226 /nfs/dbraw/zinc/97/22/26/429972226.db2.gz MOUKGZRHXNOMJT-UHFFFAOYSA-N 2 1 315.461 2.660 20 0 DFADMP CCc1ccccc1NC(=O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639764705 429972481 /nfs/dbraw/zinc/97/24/81/429972481.db2.gz WPPWIPZWSOZSET-UHFFFAOYSA-N 2 1 315.461 2.605 20 0 DFADMP C[C@@H]([NH3+])C[C@@H](C)Nc1cc[nH+]c2ccc(Br)cc12 ZINC000573684589 429973682 /nfs/dbraw/zinc/97/36/82/429973682.db2.gz MBUFCRGQWIUPAF-NXEZZACHSA-N 2 1 308.223 2.957 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791588 429983646 /nfs/dbraw/zinc/98/36/46/429983646.db2.gz WTBIXKOAXFXESR-MRXNPFEDSA-N 2 1 321.428 2.785 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CC[C@@H](c2ccc3cccnc3n2)C1 ZINC000639791588 429983648 /nfs/dbraw/zinc/98/36/48/429983648.db2.gz WTBIXKOAXFXESR-MRXNPFEDSA-N 2 1 321.428 2.785 20 0 DFADMP CCc1nc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)no1 ZINC000557336067 429936754 /nfs/dbraw/zinc/93/67/54/429936754.db2.gz PEWRVQHPEOVHRW-CVEARBPZSA-N 2 1 314.433 2.600 20 0 DFADMP CCc1nc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)no1 ZINC000557336067 429936762 /nfs/dbraw/zinc/93/67/62/429936762.db2.gz PEWRVQHPEOVHRW-CVEARBPZSA-N 2 1 314.433 2.600 20 0 DFADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(F)cc1 ZINC000557338160 429936799 /nfs/dbraw/zinc/93/67/99/429936799.db2.gz WYRDPVJMMABVDP-DLBZAZTESA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1ccc(F)cc1 ZINC000557338160 429936805 /nfs/dbraw/zinc/93/68/05/429936805.db2.gz WYRDPVJMMABVDP-DLBZAZTESA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1 ZINC000557338161 429936819 /nfs/dbraw/zinc/93/68/19/429936819.db2.gz WYRDPVJMMABVDP-IAGOWNOFSA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1)Nc1ccc(F)cc1 ZINC000557338161 429936823 /nfs/dbraw/zinc/93/68/23/429936823.db2.gz WYRDPVJMMABVDP-IAGOWNOFSA-N 2 1 319.424 2.761 20 0 DFADMP Fc1ccc(OCC[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cc1 ZINC000639682580 429944816 /nfs/dbraw/zinc/94/48/16/429944816.db2.gz YWXAZWYASJSPDQ-UHFFFAOYSA-N 2 1 315.392 2.812 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)s1 ZINC000639683423 429946516 /nfs/dbraw/zinc/94/65/16/429946516.db2.gz YSGSGGUTGKQIET-UHFFFAOYSA-N 2 1 302.447 2.867 20 0 DFADMP COCc1cccc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)c1 ZINC000639703680 429953240 /nfs/dbraw/zinc/95/32/40/429953240.db2.gz KWJPIZKHAAKANY-UHFFFAOYSA-N 2 1 311.429 2.940 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc(-c4ccccc4)nc3)C[C@H]21 ZINC000574277292 430028521 /nfs/dbraw/zinc/02/85/21/430028521.db2.gz OHKRUMVPEJNLOB-KZNAEPCWSA-N 2 1 308.429 2.703 20 0 DFADMP C[N@@H+](CCCC[NH2+]C1CCC(O)(C(F)(F)F)CC1)C1CC1 ZINC000560349013 430033647 /nfs/dbraw/zinc/03/36/47/430033647.db2.gz LLBGXARPWOZSDQ-UHFFFAOYSA-N 2 1 308.388 2.686 20 0 DFADMP CCn1cc(CC[NH+]2CCC(CC)([NH+]3CCCC3)CC2)cn1 ZINC000639986150 430045975 /nfs/dbraw/zinc/04/59/75/430045975.db2.gz JUHBSUOHUJXZRH-UHFFFAOYSA-N 2 1 304.482 2.786 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])cc1)C(C)C ZINC000573924464 429995629 /nfs/dbraw/zinc/99/56/29/429995629.db2.gz ULVAIMIOHYOTQY-HUUCEWRRSA-N 2 1 305.466 2.773 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccc(F)cn2)CC1 ZINC000639874063 430006554 /nfs/dbraw/zinc/00/65/54/430006554.db2.gz OZSQCLPUGRXORT-UHFFFAOYSA-N 2 1 302.397 2.995 20 0 DFADMP COc1nc2ccccc2cc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000574084559 430009709 /nfs/dbraw/zinc/00/97/09/430009709.db2.gz NYFSSEQDWXKHRB-IYBDPMFKSA-N 2 1 311.429 2.675 20 0 DFADMP C[C@H](C[N@@H+](CCCc1c[nH+]cn1C)[C@@H](C)CO)c1ccccc1 ZINC000574098551 430011267 /nfs/dbraw/zinc/01/12/67/430011267.db2.gz QENUIDGWGJJUCX-SJORKVTESA-N 2 1 315.461 2.839 20 0 DFADMP C[C@H](C[N@H+](CCCc1c[nH+]cn1C)[C@@H](C)CO)c1ccccc1 ZINC000574098551 430011270 /nfs/dbraw/zinc/01/12/70/430011270.db2.gz QENUIDGWGJJUCX-SJORKVTESA-N 2 1 315.461 2.839 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574519209 430048490 /nfs/dbraw/zinc/04/84/90/430048490.db2.gz IRYHZDAHVMUDFK-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000574519209 430048494 /nfs/dbraw/zinc/04/84/94/430048494.db2.gz IRYHZDAHVMUDFK-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@H]2CCCC[C@H]12 ZINC000640098787 430088953 /nfs/dbraw/zinc/08/89/53/430088953.db2.gz PPIHIGYYUQMFDG-GBESFXJTSA-N 2 1 311.429 2.998 20 0 DFADMP CC1(C)[C@@H](C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)C1(F)F ZINC000634722834 430089700 /nfs/dbraw/zinc/08/97/00/430089700.db2.gz VQZKKNRPGBTTMC-NVXWUHKLSA-N 2 1 324.415 2.504 20 0 DFADMP CC1(C)[C@@H](C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1(F)F ZINC000634722834 430089704 /nfs/dbraw/zinc/08/97/04/430089704.db2.gz VQZKKNRPGBTTMC-NVXWUHKLSA-N 2 1 324.415 2.504 20 0 DFADMP CCn1c(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)nc2ccccc21 ZINC000634732717 430093356 /nfs/dbraw/zinc/09/33/56/430093356.db2.gz MYQPXEFPEYJRBM-CQSZACIVSA-N 2 1 300.450 2.924 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000530220931 430106023 /nfs/dbraw/zinc/10/60/23/430106023.db2.gz KQQYHZKVSOUBDV-QRQLOZEOSA-N 2 1 320.452 2.847 20 0 DFADMP c1sc(C2CC2)nc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530242992 430107619 /nfs/dbraw/zinc/10/76/19/430107619.db2.gz WCTCZTXIMVZKOF-MRXNPFEDSA-N 2 1 321.490 2.611 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cncn2C)CC[N@@H+]1Cc1ccccc1 ZINC000530354792 430112858 /nfs/dbraw/zinc/11/28/58/430112858.db2.gz BFSMLIMBYLOMGW-WMZOPIPTSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cncn2C)CC[N@H+]1Cc1ccccc1 ZINC000530354792 430112864 /nfs/dbraw/zinc/11/28/64/430112864.db2.gz BFSMLIMBYLOMGW-WMZOPIPTSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC000560598036 430057123 /nfs/dbraw/zinc/05/71/23/430057123.db2.gz QCTNXSTYURCRFY-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP O[C@]1(C[NH2+]CCC2=CCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634709743 430086004 /nfs/dbraw/zinc/08/60/04/430086004.db2.gz NPVDCNRMOSKYPU-IBGZPJMESA-N 2 1 300.446 2.713 20 0 DFADMP O[C@]1(C[NH2+]CCC2=CCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634709743 430086007 /nfs/dbraw/zinc/08/60/07/430086007.db2.gz NPVDCNRMOSKYPU-IBGZPJMESA-N 2 1 300.446 2.713 20 0 DFADMP Cc1csc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000634715291 430087148 /nfs/dbraw/zinc/08/71/48/430087148.db2.gz AKQSODYWEGRFTG-GOSISDBHSA-N 2 1 316.470 2.783 20 0 DFADMP Cc1csc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000634715291 430087151 /nfs/dbraw/zinc/08/71/51/430087151.db2.gz AKQSODYWEGRFTG-GOSISDBHSA-N 2 1 316.470 2.783 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+]CC2(O)CCC2)C[N@H+]1Cc1ccccc1 ZINC000580769675 430150427 /nfs/dbraw/zinc/15/04/27/430150427.db2.gz ZNUIQQRHVSCVTH-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccc([C@H]2C[C@@H]2C)o1)C1CC1 ZINC000580841001 430157143 /nfs/dbraw/zinc/15/71/43/430157143.db2.gz GEAADRJCOAVRLL-QRTARXTBSA-N 2 1 306.450 2.680 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000580988224 430168285 /nfs/dbraw/zinc/16/82/85/430168285.db2.gz NUUMXUKQCLRJGL-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000580988224 430168290 /nfs/dbraw/zinc/16/82/90/430168290.db2.gz NUUMXUKQCLRJGL-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000580988224 430168294 /nfs/dbraw/zinc/16/82/94/430168294.db2.gz NUUMXUKQCLRJGL-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP CN(Cc1ccccc1OCCCCO)C[C@@H]1CCC[N@@H+](C)C1 ZINC000637931016 430176624 /nfs/dbraw/zinc/17/66/24/430176624.db2.gz XTHKKECIQCXKRO-QGZVFWFLSA-N 2 1 320.477 2.612 20 0 DFADMP Cc1c([C@@H](C)NC[C@@H]2CCC[N@@H+](C)C2)nnn1-c1ccccc1 ZINC000562316867 430119325 /nfs/dbraw/zinc/11/93/25/430119325.db2.gz HESQUBIKQUBMSC-ZBFHGGJFSA-N 2 1 313.449 2.568 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2cccs2)N2CC[NH+](C)CC2)[C@H]1C ZINC000562340487 430122322 /nfs/dbraw/zinc/12/23/22/430122322.db2.gz UOIFJPTXWIMLRU-FXUDXRNXSA-N 2 1 307.507 2.671 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3cccc4c3OCCO4)C2)CC1 ZINC000369702804 277036812 /nfs/dbraw/zinc/03/68/12/277036812.db2.gz KKUQYBBAZFFYMT-UHFFFAOYSA-N 2 1 316.445 2.766 20 0 DFADMP C[C@H]1C[C@@H](N(C)CC23CC(C2)C[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000634992470 430185460 /nfs/dbraw/zinc/18/54/60/430185460.db2.gz PYXOYYZBLLAXJN-VHBXLISGSA-N 2 1 313.489 2.723 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@H](c2nccn2C)C2CC2)CC1 ZINC000637957266 430185741 /nfs/dbraw/zinc/18/57/41/430185741.db2.gz FNHOJUMSCKJYHN-KRWDZBQOSA-N 2 1 304.482 2.923 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC2(CC1)OCc1ccccc12 ZINC000360420292 277060277 /nfs/dbraw/zinc/06/02/77/277060277.db2.gz WBQIAJDGQQXJAJ-QGZVFWFLSA-N 2 1 300.446 2.992 20 0 DFADMP Nc1ccc(-c2cccc(C[N@H+]3CCC[C@@H](CC[NH3+])C3)n2)cc1 ZINC000634994129 430186842 /nfs/dbraw/zinc/18/68/42/430186842.db2.gz RNQPDPJRTVIRME-HNNXBMFYSA-N 2 1 310.445 2.892 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1 ZINC000272820077 277083694 /nfs/dbraw/zinc/08/36/94/277083694.db2.gz UTSLMJGCKSAPTR-MORSLUCNSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1 ZINC000272820077 277083696 /nfs/dbraw/zinc/08/36/96/277083696.db2.gz UTSLMJGCKSAPTR-MORSLUCNSA-N 2 1 301.434 2.922 20 0 DFADMP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(C(F)(F)F)c1 ZINC000635005351 430194486 /nfs/dbraw/zinc/19/44/86/430194486.db2.gz UROGEFAJDSNJGT-IZGVIRRGSA-N 2 1 314.351 2.611 20 0 DFADMP CCCC1CCC(C[N@H+]2CC[C@H](n3cc(C[NH3+])nn3)C2)CC1 ZINC000635000325 430189074 /nfs/dbraw/zinc/18/90/74/430189074.db2.gz MHQUAFSXXPNUPC-DQPZFDDXSA-N 2 1 305.470 2.590 20 0 DFADMP OCC[C@H]([NH2+][C@H]1CCC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000634997535 430189129 /nfs/dbraw/zinc/18/91/29/430189129.db2.gz NNCJTJMQOJFDLM-WFASDCNBSA-N 2 1 300.805 2.634 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200396 430189163 /nfs/dbraw/zinc/18/91/63/430189163.db2.gz GNOZKCFEXFEFPG-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200396 430189166 /nfs/dbraw/zinc/18/91/66/430189166.db2.gz GNOZKCFEXFEFPG-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200396 430189168 /nfs/dbraw/zinc/18/91/68/430189168.db2.gz GNOZKCFEXFEFPG-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)cc1OCC(C)C ZINC000634999536 430189378 /nfs/dbraw/zinc/18/93/78/430189378.db2.gz VWSJSQZXIYVQBA-HOCLYGCPSA-N 2 1 306.450 2.757 20 0 DFADMP C[C@H]1C[N@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000634998780 430189664 /nfs/dbraw/zinc/18/96/64/430189664.db2.gz KZNONKVBRNSJIR-KBPBESRZSA-N 2 1 307.869 2.967 20 0 DFADMP C[C@H]1C[N@@H+](Cc2c(Cl)cccc2N2CCCC2)C[C@@H]1C[NH3+] ZINC000634998780 430189667 /nfs/dbraw/zinc/18/96/67/430189667.db2.gz KZNONKVBRNSJIR-KBPBESRZSA-N 2 1 307.869 2.967 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)ccc1OC ZINC000634999031 430190566 /nfs/dbraw/zinc/19/05/66/430190566.db2.gz PAXOFKHMTDBIAE-IJEWVQPXSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)C[C@@H]1C[NH3+] ZINC000634999283 430190743 /nfs/dbraw/zinc/19/07/43/430190743.db2.gz RYWUTEZVSBYCFJ-BBRMVZONSA-N 2 1 318.852 2.611 20 0 DFADMP C[C@@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@@H]1CCC[NH2+]1 ZINC000635003225 430191505 /nfs/dbraw/zinc/19/15/05/430191505.db2.gz ASWKKHMMLZZSEE-AKHZKOQFSA-N 2 1 321.262 2.817 20 0 DFADMP CC[C@H](NC[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635003750 430192444 /nfs/dbraw/zinc/19/24/44/430192444.db2.gz LIERFKPBDUBMAV-GTAWCEEGSA-N 2 1 315.505 2.875 20 0 DFADMP CCC(CC)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530330 430192684 /nfs/dbraw/zinc/19/26/84/430192684.db2.gz BUKAMJWGOAEJDW-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004996 430193617 /nfs/dbraw/zinc/19/36/17/430193617.db2.gz RTWMPFIFTCPDMP-MZSJESITSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004996 430193619 /nfs/dbraw/zinc/19/36/19/430193619.db2.gz RTWMPFIFTCPDMP-MZSJESITSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000635004996 430193624 /nfs/dbraw/zinc/19/36/24/430193624.db2.gz RTWMPFIFTCPDMP-MZSJESITSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]([NH3+])Cc1ccccc1 ZINC000635004504 430194130 /nfs/dbraw/zinc/19/41/30/430194130.db2.gz FFCVXDRXSFIGSB-NZSAHSFTSA-N 3 1 303.494 2.847 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H]3CCO[C@H](C)C3)CCCC2)CC1 ZINC000359395821 277194341 /nfs/dbraw/zinc/19/43/41/277194341.db2.gz VRKQDQHTHCFSLT-CVEARBPZSA-N 2 1 310.482 2.567 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010798 430195394 /nfs/dbraw/zinc/19/53/94/430195394.db2.gz BJLNDSAKKLPQPG-WDSOQIARSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H](C)[C@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010798 430195397 /nfs/dbraw/zinc/19/53/97/430195397.db2.gz BJLNDSAKKLPQPG-WDSOQIARSA-N 2 1 301.478 2.547 20 0 DFADMP CCc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000542019063 430199778 /nfs/dbraw/zinc/19/97/78/430199778.db2.gz FFDBYDDLUFSIRI-HIFRSBDPSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1cc(N[C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019063 430199786 /nfs/dbraw/zinc/19/97/86/430199786.db2.gz FFDBYDDLUFSIRI-HIFRSBDPSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1cc(N[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019063 430199788 /nfs/dbraw/zinc/19/97/88/430199788.db2.gz FFDBYDDLUFSIRI-HIFRSBDPSA-N 2 1 302.466 3.412 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638046253 430220042 /nfs/dbraw/zinc/22/00/42/430220042.db2.gz CGJNUDLKDUXTLO-HNNXBMFYSA-N 2 1 313.445 2.512 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638046253 430220046 /nfs/dbraw/zinc/22/00/46/430220046.db2.gz CGJNUDLKDUXTLO-HNNXBMFYSA-N 2 1 313.445 2.512 20 0 DFADMP COC(=O)[C@H](C)[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291471315 277382000 /nfs/dbraw/zinc/38/20/00/277382000.db2.gz PEDSXXMISPGGJY-INIZCTEOSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291471315 277382002 /nfs/dbraw/zinc/38/20/02/277382002.db2.gz PEDSXXMISPGGJY-INIZCTEOSA-N 2 1 316.445 2.536 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353617568 277397063 /nfs/dbraw/zinc/39/70/63/277397063.db2.gz DJQLTAUHOVRZMF-NCXUSEDFSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353617568 277397064 /nfs/dbraw/zinc/39/70/64/277397064.db2.gz DJQLTAUHOVRZMF-NCXUSEDFSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353617568 277397065 /nfs/dbraw/zinc/39/70/65/277397065.db2.gz DJQLTAUHOVRZMF-NCXUSEDFSA-N 2 1 307.526 2.817 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353617568 277397066 /nfs/dbraw/zinc/39/70/66/277397066.db2.gz DJQLTAUHOVRZMF-NCXUSEDFSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353617568 277397067 /nfs/dbraw/zinc/39/70/67/277397067.db2.gz DJQLTAUHOVRZMF-NCXUSEDFSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353617568 277397068 /nfs/dbraw/zinc/39/70/68/277397068.db2.gz DJQLTAUHOVRZMF-NCXUSEDFSA-N 3 1 307.526 2.817 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353617568 277397069 /nfs/dbraw/zinc/39/70/69/277397069.db2.gz DJQLTAUHOVRZMF-NCXUSEDFSA-N 3 1 307.526 2.817 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133943 430247605 /nfs/dbraw/zinc/24/76/05/430247605.db2.gz LTDZBZNCGSHYJO-MSOLQXFVSA-N 2 1 301.478 2.787 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133943 430247608 /nfs/dbraw/zinc/24/76/08/430247608.db2.gz LTDZBZNCGSHYJO-MSOLQXFVSA-N 2 1 301.478 2.787 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000638133943 430247610 /nfs/dbraw/zinc/24/76/10/430247610.db2.gz LTDZBZNCGSHYJO-MSOLQXFVSA-N 2 1 301.478 2.787 20 0 DFADMP C[N@@H+](C[C@@H](O)CNc1cccc(Oc2ccncc2)c1)C1CC1 ZINC000581998737 430258977 /nfs/dbraw/zinc/25/89/77/430258977.db2.gz VEDSJIYFBDBRRV-INIZCTEOSA-N 2 1 313.401 2.741 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC000582018928 430260048 /nfs/dbraw/zinc/26/00/48/430260048.db2.gz LQUFFGWTZSXMIJ-UHFFFAOYSA-N 2 1 311.514 2.689 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176455 430261274 /nfs/dbraw/zinc/26/12/74/430261274.db2.gz DTKQPCGIDTUCIA-NLWGTHIKSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176455 430261279 /nfs/dbraw/zinc/26/12/79/430261279.db2.gz DTKQPCGIDTUCIA-NLWGTHIKSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176455 430261280 /nfs/dbraw/zinc/26/12/80/430261280.db2.gz DTKQPCGIDTUCIA-NLWGTHIKSA-N 2 1 313.489 2.929 20 0 DFADMP COc1cccc(OC)c1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000638175993 430261581 /nfs/dbraw/zinc/26/15/81/430261581.db2.gz BDDUMROKVHUXQM-GOEBONIOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000638175993 430261582 /nfs/dbraw/zinc/26/15/82/430261582.db2.gz BDDUMROKVHUXQM-GOEBONIOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000638175993 430261585 /nfs/dbraw/zinc/26/15/85/430261585.db2.gz BDDUMROKVHUXQM-GOEBONIOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000638175993 430261589 /nfs/dbraw/zinc/26/15/89/430261589.db2.gz BDDUMROKVHUXQM-GOEBONIOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccccc1[C@H](CN[C@@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000566481870 430265857 /nfs/dbraw/zinc/26/58/57/430265857.db2.gz GXWBUSJBPBQJMJ-NUJGCVRESA-N 2 1 317.477 2.692 20 0 DFADMP C[NH+](C)CC1(C(=O)N2CCC[N@H+](C(C)(C)C)CC2)CCCCC1 ZINC000566655153 430269462 /nfs/dbraw/zinc/26/94/62/430269462.db2.gz MGJZUUAEBAOVPU-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP C[NH2+][C@@H](C)C(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000582132213 430271239 /nfs/dbraw/zinc/27/12/39/430271239.db2.gz FATHLKIOBYKSKA-AWEZNQCLSA-N 2 1 303.450 2.998 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666449 430230377 /nfs/dbraw/zinc/23/03/77/430230377.db2.gz DSUZNJZLPMYZRW-RCCFBDPRSA-N 2 1 300.446 2.951 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666449 430230382 /nfs/dbraw/zinc/23/03/82/430230382.db2.gz DSUZNJZLPMYZRW-RCCFBDPRSA-N 2 1 300.446 2.951 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666446 430230526 /nfs/dbraw/zinc/23/05/26/430230526.db2.gz DSUZNJZLPMYZRW-FGTMMUONSA-N 2 1 300.446 2.951 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581666446 430230529 /nfs/dbraw/zinc/23/05/29/430230529.db2.gz DSUZNJZLPMYZRW-FGTMMUONSA-N 2 1 300.446 2.951 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000638086988 430233321 /nfs/dbraw/zinc/23/33/21/430233321.db2.gz YSSJKXVBCQOBKO-KSZLIROESA-N 2 1 323.525 2.863 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NCC(C)(C)[NH+]1CCOCC1 ZINC000638261198 430287400 /nfs/dbraw/zinc/28/74/00/430287400.db2.gz FNLPXGYBOMWHTA-UHFFFAOYSA-N 2 1 305.466 2.579 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638282659 430293174 /nfs/dbraw/zinc/29/31/74/430293174.db2.gz SVVIMKQFBZXKMX-CQSZACIVSA-N 2 1 306.450 2.581 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC000582369545 430293424 /nfs/dbraw/zinc/29/34/24/430293424.db2.gz OQKIQPDVJOGDAF-IYBDPMFKSA-N 2 1 321.509 2.582 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000582414442 430297672 /nfs/dbraw/zinc/29/76/72/430297672.db2.gz OFROCXQDYWWFHI-SJORKVTESA-N 2 1 302.466 2.822 20 0 DFADMP CC[C@H](C)[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)OC ZINC000638305435 430298337 /nfs/dbraw/zinc/29/83/37/430298337.db2.gz XLBYPMJVUWNTCM-LPHOPBHVSA-N 2 1 320.477 2.670 20 0 DFADMP CC[C@@H](C)[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)OC ZINC000638305437 430298432 /nfs/dbraw/zinc/29/84/32/430298432.db2.gz XLBYPMJVUWNTCM-VQIMIIECSA-N 2 1 320.477 2.670 20 0 DFADMP CC(C)[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000582481434 430303684 /nfs/dbraw/zinc/30/36/84/430303684.db2.gz CBLHBFXOKXZKIN-PKOBYXMFSA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000582481434 430303689 /nfs/dbraw/zinc/30/36/89/430303689.db2.gz CBLHBFXOKXZKIN-PKOBYXMFSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000582481434 430303692 /nfs/dbraw/zinc/30/36/92/430303692.db2.gz CBLHBFXOKXZKIN-PKOBYXMFSA-N 3 1 303.494 2.875 20 0 DFADMP CO[C@@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)Cc1ccccc1 ZINC000638335889 430308730 /nfs/dbraw/zinc/30/87/30/430308730.db2.gz XMCZLUJPFBQEKS-MAUKXSAKSA-N 2 1 301.434 2.675 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000638336102 430308939 /nfs/dbraw/zinc/30/89/39/430308939.db2.gz YEPLVBBZYVTSMQ-FUHWJXTLSA-N 2 1 312.461 2.944 20 0 DFADMP OCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605608 430315083 /nfs/dbraw/zinc/31/50/83/430315083.db2.gz HWSNWBPDYBNTJT-GOSISDBHSA-N 2 1 314.473 2.936 20 0 DFADMP OCCC1(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605608 430315089 /nfs/dbraw/zinc/31/50/89/430315089.db2.gz HWSNWBPDYBNTJT-GOSISDBHSA-N 2 1 314.473 2.936 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[C@]12CCCO2 ZINC000638366290 430318076 /nfs/dbraw/zinc/31/80/76/430318076.db2.gz MZBYCPBDSBNWQG-FCGDIQPGSA-N 2 1 324.509 2.815 20 0 DFADMP Cn1cc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638398442 430331008 /nfs/dbraw/zinc/33/10/08/430331008.db2.gz ZIYQZHNUHRGMSQ-UYAOXDASSA-N 2 1 324.472 2.920 20 0 DFADMP Cn1cc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638398442 430331009 /nfs/dbraw/zinc/33/10/09/430331009.db2.gz ZIYQZHNUHRGMSQ-UYAOXDASSA-N 2 1 324.472 2.920 20 0 DFADMP C[C@H](CO)[NH2+]C[C@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638411612 430332960 /nfs/dbraw/zinc/33/29/60/430332960.db2.gz CSNHNOLLYNMCJV-VQIMIIECSA-N 2 1 304.478 2.895 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638411219 430333141 /nfs/dbraw/zinc/33/31/41/430333141.db2.gz LTWIZGUPAJZCNJ-IEBWSBKVSA-N 2 1 310.445 2.841 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638411219 430333146 /nfs/dbraw/zinc/33/31/46/430333146.db2.gz LTWIZGUPAJZCNJ-IEBWSBKVSA-N 2 1 310.445 2.841 20 0 DFADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CCCCC2)CC1)CC(C)(C)C ZINC000635641172 430333638 /nfs/dbraw/zinc/33/36/38/430333638.db2.gz RJOIAYLNCXUATM-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP CCn1c2cccc(F)c2nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000582790758 430334209 /nfs/dbraw/zinc/33/42/09/430334209.db2.gz DAYUQJJJQNDPRA-UHFFFAOYSA-N 2 1 304.413 2.756 20 0 DFADMP C[NH+](C)C1CC(N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000568240094 430337984 /nfs/dbraw/zinc/33/79/84/430337984.db2.gz XNFRCBGUBZGWBW-VIQWUECVSA-N 2 1 313.489 2.866 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000568255728 430340335 /nfs/dbraw/zinc/34/03/35/430340335.db2.gz YSOKHDTWKGDCEV-GOOCMWNKSA-N 2 1 319.424 2.678 20 0 DFADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCc1cncn1C ZINC000582853683 430340997 /nfs/dbraw/zinc/34/09/97/430340997.db2.gz KCRNKUFWAVXZFY-CQSZACIVSA-N 2 1 318.852 2.827 20 0 DFADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000546015800 430341944 /nfs/dbraw/zinc/34/19/44/430341944.db2.gz WUMZCIVHFLOLCJ-MRXNPFEDSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1[nH+]ccn1CCCCn1cc(C[NH2+]C2CCCCC2)nn1 ZINC000641150282 430344342 /nfs/dbraw/zinc/34/43/42/430344342.db2.gz CGKFRNXAJMSFLL-UHFFFAOYSA-N 2 1 316.453 2.686 20 0 DFADMP Cc1cccc(C)c1C[NH+]1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000582908449 430347933 /nfs/dbraw/zinc/34/79/33/430347933.db2.gz ZHWPWEJTJCTVFT-UHFFFAOYSA-N 2 1 302.462 2.630 20 0 DFADMP COc1cc(C[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ccn1 ZINC000638701670 430414166 /nfs/dbraw/zinc/41/41/66/430414166.db2.gz SQFPTJTVSNAIBZ-LNRIEFBSSA-N 2 1 303.450 2.626 20 0 DFADMP COc1cc(C[C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)ccn1 ZINC000638701670 430414169 /nfs/dbraw/zinc/41/41/69/430414169.db2.gz SQFPTJTVSNAIBZ-LNRIEFBSSA-N 2 1 303.450 2.626 20 0 DFADMP CC[C@H]1CCCN1C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000568412378 430356886 /nfs/dbraw/zinc/35/68/86/430356886.db2.gz SJOLVOVTXRUINI-KRWDZBQOSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1cc(C[NH+](C)C)cc(NC(=O)C[N@@H+](C)CC(C)(C)C)c1 ZINC000635739873 430362489 /nfs/dbraw/zinc/36/24/89/430362489.db2.gz GDZDJIOSYRDMEX-UHFFFAOYSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@H](NC(=O)CC[N@@H+](C)C1CCCCC1)C(C)(C)C[NH+](C)C ZINC000547738196 430417215 /nfs/dbraw/zinc/41/72/15/430417215.db2.gz JDNNSZXKLXMPOF-HNNXBMFYSA-N 2 1 311.514 2.734 20 0 DFADMP CO[C@](C)(C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521277 430366189 /nfs/dbraw/zinc/36/61/89/430366189.db2.gz FBPUQDMFUZGSMM-AZUAARDMSA-N 2 1 316.489 2.956 20 0 DFADMP Cn1cncc1CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000568526670 430366691 /nfs/dbraw/zinc/36/66/91/430366691.db2.gz CJEZZVBBLYKCHN-MRXNPFEDSA-N 2 1 313.401 2.919 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000568526670 430366697 /nfs/dbraw/zinc/36/66/97/430366697.db2.gz CJEZZVBBLYKCHN-MRXNPFEDSA-N 2 1 313.401 2.919 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@@H]1c1ccc2c(c1)OCO2 ZINC000568526670 430366701 /nfs/dbraw/zinc/36/67/01/430366701.db2.gz CJEZZVBBLYKCHN-MRXNPFEDSA-N 2 1 313.401 2.919 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]CCC[C@H]3CCO3)C2)cc1 ZINC000638522093 430367683 /nfs/dbraw/zinc/36/76/83/430367683.db2.gz XAVLUODCPKGBTJ-OALUTQOASA-N 2 1 302.462 2.710 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)sn1 ZINC000638532242 430370529 /nfs/dbraw/zinc/37/05/29/430370529.db2.gz KMDJWVUYGBNNCX-CQSZACIVSA-N 2 1 317.462 2.617 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000568618657 430376125 /nfs/dbraw/zinc/37/61/25/430376125.db2.gz OKXBVZGTCJJOBA-ARFHVFGLSA-N 2 1 307.507 2.863 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000635790790 430377385 /nfs/dbraw/zinc/37/73/85/430377385.db2.gz ZERPCMXLTZPDLA-SFHVURJKSA-N 2 1 323.525 2.689 20 0 DFADMP COc1cc(C[C@@H](C)[NH2+]C[C@@H]2CCC[N@H+](C(C)C)C2)ccn1 ZINC000638566376 430377910 /nfs/dbraw/zinc/37/79/10/430377910.db2.gz HCNIYSGIOYGDLP-WBVHZDCISA-N 2 1 305.466 2.731 20 0 DFADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC000547271113 430382248 /nfs/dbraw/zinc/38/22/48/430382248.db2.gz DWTMKJJUOHOXAD-JXFKEZNVSA-N 2 1 318.505 2.819 20 0 DFADMP C[C@H](C[NH2+]C[C@@]1(O)CC[N@@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC000547271113 430382250 /nfs/dbraw/zinc/38/22/50/430382250.db2.gz DWTMKJJUOHOXAD-JXFKEZNVSA-N 2 1 318.505 2.819 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638588355 430383338 /nfs/dbraw/zinc/38/33/38/430383338.db2.gz KYVHBZOTXUGDRI-GFCCVEGCSA-N 2 1 305.372 2.944 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc3ccc(F)c(F)c3n2)C1 ZINC000638588355 430383342 /nfs/dbraw/zinc/38/33/42/430383342.db2.gz KYVHBZOTXUGDRI-GFCCVEGCSA-N 2 1 305.372 2.944 20 0 DFADMP CC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)COC1 ZINC000638595680 430384937 /nfs/dbraw/zinc/38/49/37/430384937.db2.gz VATCICGJIIZEPW-WMZOPIPTSA-N 2 1 300.446 2.981 20 0 DFADMP CC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)COC1 ZINC000638595680 430384941 /nfs/dbraw/zinc/38/49/41/430384941.db2.gz VATCICGJIIZEPW-WMZOPIPTSA-N 2 1 300.446 2.981 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000583499703 430401368 /nfs/dbraw/zinc/40/13/68/430401368.db2.gz VJMNSJNMKOCVJJ-OALUTQOASA-N 2 1 314.473 2.934 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000583499703 430401370 /nfs/dbraw/zinc/40/13/70/430401370.db2.gz VJMNSJNMKOCVJJ-OALUTQOASA-N 2 1 314.473 2.934 20 0 DFADMP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCOC1 ZINC000638669720 430403960 /nfs/dbraw/zinc/40/39/60/430403960.db2.gz AGEGRWACOMJXKS-XIRDDKMYSA-N 2 1 324.490 2.526 20 0 DFADMP CO[C@]1(C[NH2+]C[C@@H]2CCC[N@@H+](C)[C@@H]2c2cccs2)CCOC1 ZINC000638669720 430403965 /nfs/dbraw/zinc/40/39/65/430403965.db2.gz AGEGRWACOMJXKS-XIRDDKMYSA-N 2 1 324.490 2.526 20 0 DFADMP CO[C@@H](C[NH2+]CCCCn1cc[nH+]c1C)Cc1ccccc1 ZINC000638673877 430406141 /nfs/dbraw/zinc/40/61/41/430406141.db2.gz ARARBFGVDFBLNA-GOSISDBHSA-N 2 1 301.434 2.819 20 0 DFADMP COc1cc(C[C@H](C)[NH2+]CCCCn2cc[nH+]c2C)ccn1 ZINC000638674171 430406818 /nfs/dbraw/zinc/40/68/18/430406818.db2.gz GFMRBMNXGDEQGY-AWEZNQCLSA-N 2 1 302.422 2.596 20 0 DFADMP C[NH+]1CCC2(CC1)CN(c1cc(C(C)(C)C)cc[nH+]1)CCO2 ZINC000641648671 430434612 /nfs/dbraw/zinc/43/46/12/430434612.db2.gz OARVDBODSGHEMN-UHFFFAOYSA-N 2 1 303.450 2.680 20 0 DFADMP C[C@@H](O)C[NH2+]C[C@@]1(C(C)(C)C)CC[N@@H+](Cc2ccccc2)C1 ZINC000638796839 430436465 /nfs/dbraw/zinc/43/64/65/430436465.db2.gz MSNOCJZTECTOEX-APWZRJJASA-N 2 1 304.478 2.895 20 0 DFADMP CN(CCCC[NH+]1CCCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000641663341 430437804 /nfs/dbraw/zinc/43/78/04/430437804.db2.gz WPTCPLCBPULCGC-SFHVURJKSA-N 2 1 323.525 2.975 20 0 DFADMP C[N@@H+](CCC(=O)NCC(C)(C)C[NH+]1CCCC1)C1CCCCC1 ZINC000548065284 430443155 /nfs/dbraw/zinc/44/31/55/430443155.db2.gz WEHKQSXNCJNHDD-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060480 430444393 /nfs/dbraw/zinc/44/43/93/430444393.db2.gz AWSSODBNXBGMPH-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060480 430444400 /nfs/dbraw/zinc/44/44/00/430444400.db2.gz AWSSODBNXBGMPH-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060480 430444405 /nfs/dbraw/zinc/44/44/05/430444405.db2.gz AWSSODBNXBGMPH-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000548060384 430444761 /nfs/dbraw/zinc/44/47/61/430444761.db2.gz WGHYGWIDVNSQDB-WBVHZDCISA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548060384 430444764 /nfs/dbraw/zinc/44/47/64/430444764.db2.gz WGHYGWIDVNSQDB-WBVHZDCISA-N 2 1 309.498 2.582 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548060384 430444766 /nfs/dbraw/zinc/44/47/66/430444766.db2.gz WGHYGWIDVNSQDB-WBVHZDCISA-N 2 1 309.498 2.582 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cnc(-c3ccccc3)nc1)C2 ZINC000548095892 430447090 /nfs/dbraw/zinc/44/70/90/430447090.db2.gz CURXUZGDWMORFT-OAHLLOKOSA-N 2 1 319.412 2.692 20 0 DFADMP Nc1cnccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000641713168 430450702 /nfs/dbraw/zinc/45/07/02/430450702.db2.gz QBXKZNQFMVAHKK-QGZVFWFLSA-N 2 1 310.445 2.666 20 0 DFADMP Nc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000641713168 430450704 /nfs/dbraw/zinc/45/07/04/430450704.db2.gz QBXKZNQFMVAHKK-QGZVFWFLSA-N 2 1 310.445 2.666 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638852287 430455434 /nfs/dbraw/zinc/45/54/34/430455434.db2.gz XBYUYBQOTOSBHD-SJLPKXTDSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccc3[nH]c(=O)[nH]c3c2)C1 ZINC000641741258 430456369 /nfs/dbraw/zinc/45/63/69/430456369.db2.gz FIZRHYGWAKZSLH-HNNXBMFYSA-N 2 1 316.449 2.726 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)[C@@H]3CC3(F)F)CC2)nc(C)[nH+]1 ZINC000638874455 430464332 /nfs/dbraw/zinc/46/43/32/430464332.db2.gz TYGUSKBKISNHSK-RISCZKNCSA-N 2 1 310.392 2.696 20 0 DFADMP CC[C@@H](C)[C@H](C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)OC ZINC000638874926 430464536 /nfs/dbraw/zinc/46/45/36/430464536.db2.gz ZEABKVFGVOYIDG-DYVFJYSZSA-N 2 1 320.481 2.713 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+]C(C)(C)c1nc2ccccc2n1C ZINC000584180400 430468305 /nfs/dbraw/zinc/46/83/05/430468305.db2.gz MFEDEYFUIGVDAR-UHFFFAOYSA-N 2 1 311.433 2.764 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC000548392888 430468382 /nfs/dbraw/zinc/46/83/82/430468382.db2.gz WMAWAKHCRCCAQQ-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC000548392888 430468389 /nfs/dbraw/zinc/46/83/89/430468389.db2.gz WMAWAKHCRCCAQQ-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+]1CC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548392888 430468393 /nfs/dbraw/zinc/46/83/93/430468393.db2.gz WMAWAKHCRCCAQQ-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH3+])C2)cc1)C(C)C ZINC000638894158 430469650 /nfs/dbraw/zinc/46/96/50/430469650.db2.gz PNYBJDMQBLWCFR-YJBOKZPZSA-N 2 1 317.477 2.584 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)CC[NH+](C)C1CCCCC1 ZINC000548388490 430470061 /nfs/dbraw/zinc/47/00/61/430470061.db2.gz SODBSZXAWRLOOP-GOSISDBHSA-N 2 1 323.525 2.974 20 0 DFADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548388490 430470065 /nfs/dbraw/zinc/47/00/65/430470065.db2.gz SODBSZXAWRLOOP-GOSISDBHSA-N 2 1 323.525 2.974 20 0 DFADMP CN(CC[C@H]1CCCC[NH+]1C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548388490 430470068 /nfs/dbraw/zinc/47/00/68/430470068.db2.gz SODBSZXAWRLOOP-GOSISDBHSA-N 2 1 323.525 2.974 20 0 DFADMP C[NH+](C)CC1(CNC(=O)CC[N@@H+](C)C2CCCCC2)CCCC1 ZINC000548392239 430470180 /nfs/dbraw/zinc/47/01/80/430470180.db2.gz HXYYMWRVJOWKDM-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]Cc1ccccc1OCC(F)(F)F ZINC000641803536 430476005 /nfs/dbraw/zinc/47/60/05/430476005.db2.gz SQHMPVJLFLCDOZ-CHWSQXEVSA-N 2 1 302.340 2.843 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+][C@@H](C)CC(=O)N(C)c1ccccc1 ZINC000569680111 430477470 /nfs/dbraw/zinc/47/74/70/430477470.db2.gz XWERFESBYZJTKJ-WMZOPIPTSA-N 2 1 317.477 2.892 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@H]1C[C@H]([NH3+])C1(C)C ZINC000641803699 430478078 /nfs/dbraw/zinc/47/80/78/430478078.db2.gz DRHZXKUJVWUECW-GJZGRUSLSA-N 2 1 303.450 2.772 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1cccc2ccccc21 ZINC000641805126 430478126 /nfs/dbraw/zinc/47/81/26/430478126.db2.gz LYMXTYBOIONQPG-ZLIFDBKOSA-N 2 1 311.429 2.882 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641804375 430478560 /nfs/dbraw/zinc/47/85/60/430478560.db2.gz IBIYFWDRYDLJGR-HJWJTTGWSA-N 2 1 317.477 2.748 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@H]1[NH2+]CC(=O)Nc1ccc(Cl)cc1Cl ZINC000641803717 430478599 /nfs/dbraw/zinc/47/85/99/430478599.db2.gz FBXMXTXNXHTZGI-VXGBXAGGSA-N 2 1 316.232 2.647 20 0 DFADMP CC[C@@H](C)[C@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)OC ZINC000638724794 430419227 /nfs/dbraw/zinc/41/92/27/430419227.db2.gz BJLHMIIJEBQBSG-WBVHZDCISA-N 2 1 300.487 2.527 20 0 DFADMP CCn1c(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)nc2ccccc21 ZINC000547768018 430419925 /nfs/dbraw/zinc/41/99/25/430419925.db2.gz DXZPXWVBXJQHJG-CQSZACIVSA-N 2 1 309.417 2.605 20 0 DFADMP OCCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000583698229 430420902 /nfs/dbraw/zinc/42/09/02/430420902.db2.gz RBBLNGUUBQNLHR-UHFFFAOYSA-N 2 1 310.441 2.717 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000547798650 430423539 /nfs/dbraw/zinc/42/35/39/430423539.db2.gz NVLNEGHLWSEEKW-DLBZAZTESA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H](O)CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000583794411 430429423 /nfs/dbraw/zinc/42/94/23/430429423.db2.gz OWTZUMMTUIKCBY-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)o1 ZINC000641821562 430482544 /nfs/dbraw/zinc/48/25/44/430482544.db2.gz LOXSYYXQUPEYRU-OAGGEKHMSA-N 2 1 321.465 2.796 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)o1 ZINC000641821561 430483223 /nfs/dbraw/zinc/48/32/23/430483223.db2.gz LOXSYYXQUPEYRU-BZUAXINKSA-N 2 1 321.465 2.796 20 0 DFADMP C[C@H]1CC=C(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)CC1 ZINC000570407183 430540369 /nfs/dbraw/zinc/54/03/69/430540369.db2.gz MRSPWFYARNMIPU-AWEZNQCLSA-N 2 1 314.433 2.518 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@H]2CC[NH+](C)[C@@H](c3ccccc3)C2)C1 ZINC000569832404 430489621 /nfs/dbraw/zinc/48/96/21/430489621.db2.gz YAGKELRFMASNDV-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000569832404 430489626 /nfs/dbraw/zinc/48/96/26/430489626.db2.gz YAGKELRFMASNDV-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)C1 ZINC000569832404 430489631 /nfs/dbraw/zinc/48/96/31/430489631.db2.gz YAGKELRFMASNDV-NZSAHSFTSA-N 2 1 301.478 2.753 20 0 DFADMP CC(C)O[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1ccccc1 ZINC000639049311 430501874 /nfs/dbraw/zinc/50/18/74/430501874.db2.gz NVYLLRBQKVLZCW-SFHVURJKSA-N 2 1 320.477 2.589 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+]C[C@@]2(C)C[C@@H]2c2ccccc2)CC1 ZINC000639049403 430502547 /nfs/dbraw/zinc/50/25/47/430502547.db2.gz QFUMCUWRDVJMGL-QZTJIDSGSA-N 2 1 302.462 2.617 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCC[C@@H]3CCO3)C1)CCCC2 ZINC000639077408 430515572 /nfs/dbraw/zinc/51/55/72/430515572.db2.gz WKUMDZRZFBEOTI-HZPDHXFCSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCC[C@@H]3CCO3)C1)CCCC2 ZINC000639077408 430515574 /nfs/dbraw/zinc/51/55/74/430515574.db2.gz WKUMDZRZFBEOTI-HZPDHXFCSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@H+](C)CCC[NH3+] ZINC000570161093 430518762 /nfs/dbraw/zinc/51/87/62/430518762.db2.gz QUZQUYZHSATLOD-UHFFFAOYSA-N 2 1 306.841 2.923 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[N@@H+](C)CCC[NH3+] ZINC000570161093 430518768 /nfs/dbraw/zinc/51/87/68/430518768.db2.gz QUZQUYZHSATLOD-UHFFFAOYSA-N 2 1 306.841 2.923 20 0 DFADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[N@H+](C)C1CC1 ZINC000570202043 430522206 /nfs/dbraw/zinc/52/22/06/430522206.db2.gz AZCXCNRBYFYLRA-DKSSEZFCSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]1CCCc2ccccc2[C@@H]1[NH2+]C[C@H](O)C[N@@H+](C)C1CC1 ZINC000570202043 430522209 /nfs/dbraw/zinc/52/22/09/430522209.db2.gz AZCXCNRBYFYLRA-DKSSEZFCSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@H+](Cc2ccccc2OCCCCO)CC1 ZINC000639104054 430524693 /nfs/dbraw/zinc/52/46/93/430524693.db2.gz OEJICTXTKDSIEB-SFHVURJKSA-N 2 1 320.477 2.754 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](Cc2ccccc2OCCCCO)CC1 ZINC000639104054 430524697 /nfs/dbraw/zinc/52/46/97/430524697.db2.gz OEJICTXTKDSIEB-SFHVURJKSA-N 2 1 320.477 2.754 20 0 DFADMP c1nn(-c2cc[nH+]cc2)c2ncnc(N[C@@H]3CC34CCCC4)c12 ZINC000570265159 430528639 /nfs/dbraw/zinc/52/86/39/430528639.db2.gz OGIOIAKAFLSHBK-CQSZACIVSA-N 2 1 306.373 2.955 20 0 DFADMP CO[C@@](C)(C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000639117502 430532781 /nfs/dbraw/zinc/53/27/81/430532781.db2.gz GYIXCJSKWIYEKO-MJGOQNOKSA-N 2 1 302.462 2.913 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325404 430532910 /nfs/dbraw/zinc/53/29/10/430532910.db2.gz WTGOIALFYZLSNH-QILLFSRXSA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](c2ccc(F)cc2)C1)C1CC1 ZINC000570325404 430532914 /nfs/dbraw/zinc/53/29/14/430532914.db2.gz WTGOIALFYZLSNH-QILLFSRXSA-N 2 1 306.425 2.507 20 0 DFADMP C[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570329524 430532921 /nfs/dbraw/zinc/53/29/21/430532921.db2.gz QFQAQXDHNMZWDP-HOTGVXAUSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@@H]1C(=O)OC(C)(C)C ZINC000570329524 430532925 /nfs/dbraw/zinc/53/29/25/430532925.db2.gz QFQAQXDHNMZWDP-HOTGVXAUSA-N 2 1 310.482 2.772 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)cc2)C[C@@H]1c1ccccc1 ZINC000550996865 430549239 /nfs/dbraw/zinc/54/92/39/430549239.db2.gz GVHJKGLTNRKCFO-RBUKOAKNSA-N 2 1 323.440 2.711 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639169127 430552857 /nfs/dbraw/zinc/55/28/57/430552857.db2.gz CSDVJKXZPQMMTH-KRWDZBQOSA-N 2 1 320.477 2.658 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2ccccc2OCCCCO)C1 ZINC000639169127 430552859 /nfs/dbraw/zinc/55/28/59/430552859.db2.gz CSDVJKXZPQMMTH-KRWDZBQOSA-N 2 1 320.477 2.658 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000551526133 430556546 /nfs/dbraw/zinc/55/65/46/430556546.db2.gz DGASFYQZFKZJBT-KRWDZBQOSA-N 2 1 302.466 2.832 20 0 DFADMP COc1cccc(OC)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639176856 430556573 /nfs/dbraw/zinc/55/65/73/430556573.db2.gz LWBUZMKRWJEAGR-INIZCTEOSA-N 2 1 318.461 2.868 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178949 430559161 /nfs/dbraw/zinc/55/91/61/430559161.db2.gz PVAUKOLACXXNGK-QWFCFKBJSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178949 430559163 /nfs/dbraw/zinc/55/91/63/430559163.db2.gz PVAUKOLACXXNGK-QWFCFKBJSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178949 430559165 /nfs/dbraw/zinc/55/91/65/430559165.db2.gz PVAUKOLACXXNGK-QWFCFKBJSA-N 2 1 313.489 2.929 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@H]2C[NH+](C)CC[C@H]21 ZINC000639180274 430559340 /nfs/dbraw/zinc/55/93/40/430559340.db2.gz WDOONZKUVDOURU-IPMKNSEASA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000639180274 430559343 /nfs/dbraw/zinc/55/93/43/430559343.db2.gz WDOONZKUVDOURU-IPMKNSEASA-N 2 1 302.462 2.660 20 0 DFADMP C[N@@H+](Cc1ccc(C(F)F)nc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639178446 430559375 /nfs/dbraw/zinc/55/93/75/430559375.db2.gz IZFJEIVDQLGVOQ-LBPRGKRZSA-N 2 1 306.360 2.910 20 0 DFADMP C[N@H+](Cc1ccc(C(F)F)nc1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639178446 430559381 /nfs/dbraw/zinc/55/93/81/430559381.db2.gz IZFJEIVDQLGVOQ-LBPRGKRZSA-N 2 1 306.360 2.910 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1ccccc1 ZINC000551894989 430568408 /nfs/dbraw/zinc/56/84/08/430568408.db2.gz VYLVZEWCHAPTTL-IEBWSBKVSA-N 2 1 317.477 2.528 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000551894989 430568411 /nfs/dbraw/zinc/56/84/11/430568411.db2.gz VYLVZEWCHAPTTL-IEBWSBKVSA-N 2 1 317.477 2.528 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000551894989 430568416 /nfs/dbraw/zinc/56/84/16/430568416.db2.gz VYLVZEWCHAPTTL-IEBWSBKVSA-N 2 1 317.477 2.528 20 0 DFADMP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552070764 430582459 /nfs/dbraw/zinc/58/24/59/430582459.db2.gz CXRHKIMVMABYNK-GUDVDZBRSA-N 2 1 317.477 2.912 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)c2)cn1 ZINC000570927694 430589931 /nfs/dbraw/zinc/58/99/31/430589931.db2.gz GPSJBVXRGFAZEQ-MRXNPFEDSA-N 2 1 302.447 2.509 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(CCCc2c[nH+]cn2C)C1 ZINC000570938116 430591541 /nfs/dbraw/zinc/59/15/41/430591541.db2.gz CFRIZYIHJIVKNQ-JZXOWHBKSA-N 2 1 304.482 2.690 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(CCCc2c[nH+]cn2C)C1 ZINC000570938116 430591542 /nfs/dbraw/zinc/59/15/42/430591542.db2.gz CFRIZYIHJIVKNQ-JZXOWHBKSA-N 2 1 304.482 2.690 20 0 DFADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000552247702 430592785 /nfs/dbraw/zinc/59/27/85/430592785.db2.gz XVRJBYHZGBUBGE-QEEHTWDDSA-N 2 1 313.489 2.900 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cccc(C3CC3)c2)CC1 ZINC000643369260 430593737 /nfs/dbraw/zinc/59/37/37/430593737.db2.gz VTYPDQLHBHJHHW-UHFFFAOYSA-N 2 1 301.478 2.681 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639271557 430594288 /nfs/dbraw/zinc/59/42/88/430594288.db2.gz NBIDRHGWRZSVFU-FPAYPSAMSA-N 2 1 300.446 2.858 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639271557 430594291 /nfs/dbraw/zinc/59/42/91/430594291.db2.gz NBIDRHGWRZSVFU-FPAYPSAMSA-N 2 1 300.446 2.858 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2COc3ccccc3C2)C1 ZINC000550700403 430544823 /nfs/dbraw/zinc/54/48/23/430544823.db2.gz HVOUHJSGSMMBNQ-FUHWJXTLSA-N 2 1 302.462 2.948 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000639483277 430651514 /nfs/dbraw/zinc/65/15/14/430651514.db2.gz RRADAYVMERISTM-JKSUJKDBSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000639483277 430651517 /nfs/dbraw/zinc/65/15/17/430651517.db2.gz RRADAYVMERISTM-JKSUJKDBSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000639483277 430651520 /nfs/dbraw/zinc/65/15/20/430651520.db2.gz RRADAYVMERISTM-JKSUJKDBSA-N 2 1 303.450 2.939 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNCc2ncc(Br)s2)C1 ZINC000571784338 430653013 /nfs/dbraw/zinc/65/30/13/430653013.db2.gz OIMXFXKBNSVKIX-SNVBAGLBSA-N 2 1 318.284 2.726 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cnccn2)C1 ZINC000639489155 430653759 /nfs/dbraw/zinc/65/37/59/430653759.db2.gz OOZSKKWZRZPZRR-IAGOWNOFSA-N 2 1 302.466 2.606 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cnccn2)C1 ZINC000639489155 430653763 /nfs/dbraw/zinc/65/37/63/430653763.db2.gz OOZSKKWZRZPZRR-IAGOWNOFSA-N 2 1 302.466 2.606 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cnccn2)C1 ZINC000639489155 430653765 /nfs/dbraw/zinc/65/37/65/430653765.db2.gz OOZSKKWZRZPZRR-IAGOWNOFSA-N 2 1 302.466 2.606 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cnccn2)C1 ZINC000639489155 430653768 /nfs/dbraw/zinc/65/37/68/430653768.db2.gz OOZSKKWZRZPZRR-IAGOWNOFSA-N 2 1 302.466 2.606 20 0 DFADMP Cc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000554919314 430655728 /nfs/dbraw/zinc/65/57/28/430655728.db2.gz UKPTWVZJLOPAMD-MRXNPFEDSA-N 2 1 312.461 2.827 20 0 DFADMP C[C@@H]1OCC[C@H]1C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000639504007 430658439 /nfs/dbraw/zinc/65/84/39/430658439.db2.gz OVYKJEDHHZCDNS-UHOSZYNNSA-N 2 1 302.462 2.865 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000643454231 430602836 /nfs/dbraw/zinc/60/28/36/430602836.db2.gz OEQNMJLBAWHCNZ-QXAKKESOSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552920567 430603547 /nfs/dbraw/zinc/60/35/47/430603547.db2.gz ASMHFKQMAMCJHW-WNHJNPCNSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CC[C@H](O)CC1 ZINC000552920567 430603549 /nfs/dbraw/zinc/60/35/49/430603549.db2.gz ASMHFKQMAMCJHW-WNHJNPCNSA-N 2 1 302.462 2.790 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000643462837 430603612 /nfs/dbraw/zinc/60/36/12/430603612.db2.gz MKDKZQNGHFNIHZ-KBMXLJTQSA-N 2 1 309.404 2.664 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CN[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127470 430604535 /nfs/dbraw/zinc/60/45/35/430604535.db2.gz XMJRSBRMLNWYDZ-RLLQIKCJSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[NH+]1CC[C@H](CN[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127470 430604538 /nfs/dbraw/zinc/60/45/38/430604538.db2.gz XMJRSBRMLNWYDZ-RLLQIKCJSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[NH+]1CC[C@H](CN[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000571127470 430604542 /nfs/dbraw/zinc/60/45/42/430604542.db2.gz XMJRSBRMLNWYDZ-RLLQIKCJSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000571127470 430604545 /nfs/dbraw/zinc/60/45/45/430604545.db2.gz XMJRSBRMLNWYDZ-RLLQIKCJSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+][C@H]2CN(Cc3ccccc3)C[C@H]2C)C1 ZINC000571127470 430604549 /nfs/dbraw/zinc/60/45/49/430604549.db2.gz XMJRSBRMLNWYDZ-RLLQIKCJSA-N 2 1 315.505 2.827 20 0 DFADMP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2CCCC[NH2+]2)cc1OC ZINC000643502396 430610653 /nfs/dbraw/zinc/61/06/53/430610653.db2.gz FHFCAEMEWFRZMT-YCPHGPKFSA-N 2 1 306.450 2.928 20 0 DFADMP Cc1cnn([C@H]2CCC[N@@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)c1 ZINC000571411108 430626340 /nfs/dbraw/zinc/62/63/40/430626340.db2.gz RTJZGJQSGBPYTG-IBGZPJMESA-N 2 1 310.445 2.674 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000554096969 430628746 /nfs/dbraw/zinc/62/87/46/430628746.db2.gz SXQKNAXRBNLPNY-NEWSRXKRSA-N 2 1 304.478 2.751 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000554213600 430630639 /nfs/dbraw/zinc/63/06/39/430630639.db2.gz DRXZLOFZBHJQFG-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000554213600 430630642 /nfs/dbraw/zinc/63/06/42/430630642.db2.gz DRXZLOFZBHJQFG-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000554213600 430630643 /nfs/dbraw/zinc/63/06/43/430630643.db2.gz DRXZLOFZBHJQFG-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCn1c2ccccc2nc1CN(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000571689924 430645418 /nfs/dbraw/zinc/64/54/18/430645418.db2.gz XSHRAFWQVHQSJI-GOEBONIOSA-N 2 1 300.450 2.828 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000158689500 278003202 /nfs/dbraw/zinc/00/32/02/278003202.db2.gz SGCKKAIPFFCCIE-HLLBOEOZSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2CCCc3c2cnn3C)C1 ZINC000158689500 278003204 /nfs/dbraw/zinc/00/32/04/278003204.db2.gz SGCKKAIPFFCCIE-HLLBOEOZSA-N 2 1 304.482 2.755 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000572392069 430685669 /nfs/dbraw/zinc/68/56/69/430685669.db2.gz HKGAZYYLNKCIIJ-IKGGRYGDSA-N 2 1 323.525 2.911 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CC1 ZINC000360947510 278052168 /nfs/dbraw/zinc/05/21/68/278052168.db2.gz NSFQTORKJBYTIV-RDJZCZTQSA-N 2 1 317.477 2.594 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)CC1 ZINC000360947510 278052169 /nfs/dbraw/zinc/05/21/69/278052169.db2.gz NSFQTORKJBYTIV-RDJZCZTQSA-N 2 1 317.477 2.594 20 0 DFADMP CC(C)n1nccc1[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000344299207 278152965 /nfs/dbraw/zinc/15/29/65/278152965.db2.gz OEFRLLSVPOOYNV-AEFFLSMTSA-N 2 1 320.481 2.756 20 0 DFADMP C[C@@H](CCNC(=O)CC[C@H]1CCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000292027389 278232465 /nfs/dbraw/zinc/23/24/65/278232465.db2.gz GIANHBNBZSKTTE-FUHWJXTLSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443826 278307413 /nfs/dbraw/zinc/30/74/13/278307413.db2.gz XLMXENCNUHXQBY-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H](c1ccc(F)cc1)[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000245443826 278307415 /nfs/dbraw/zinc/30/74/15/278307415.db2.gz XLMXENCNUHXQBY-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP COc1ccc([C@H](C)C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000657753607 430726289 /nfs/dbraw/zinc/72/62/89/430726289.db2.gz YGFPIBADAHNLLL-QAPCUYQASA-N 2 1 318.461 2.642 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(F)c1 ZINC000657751205 430726653 /nfs/dbraw/zinc/72/66/53/430726653.db2.gz HBCLPTYBNKOOAH-NLVOMGJBSA-N 2 1 322.399 2.821 20 0 DFADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657789849 430734488 /nfs/dbraw/zinc/73/44/88/430734488.db2.gz LZXDYSISYIXAHA-KSZLIROESA-N 2 1 300.446 2.951 20 0 DFADMP CO[C@@]1(C)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000657789849 430734494 /nfs/dbraw/zinc/73/44/94/430734494.db2.gz LZXDYSISYIXAHA-KSZLIROESA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H](CCc1ccco1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644513027 430739698 /nfs/dbraw/zinc/73/96/98/430739698.db2.gz APLACGBUDOJJIC-WMZOPIPTSA-N 2 1 316.445 2.683 20 0 DFADMP C[C@@H](CCc1ccco1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644513027 430739702 /nfs/dbraw/zinc/73/97/02/430739702.db2.gz APLACGBUDOJJIC-WMZOPIPTSA-N 2 1 316.445 2.683 20 0 DFADMP C[C@@H](Cc1cccs1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644519196 430740931 /nfs/dbraw/zinc/74/09/31/430740931.db2.gz GIHAKPGFWYDJLV-RDJZCZTQSA-N 2 1 318.486 2.762 20 0 DFADMP C[C@@H](Cc1cccs1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644519196 430740937 /nfs/dbraw/zinc/74/09/37/430740937.db2.gz GIHAKPGFWYDJLV-RDJZCZTQSA-N 2 1 318.486 2.762 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C(C)(C)C(F)F)CC1 ZINC000657833700 430747630 /nfs/dbraw/zinc/74/76/30/430747630.db2.gz BRWOHAXWZFDIJD-CQSZACIVSA-N 2 1 305.457 2.674 20 0 DFADMP COC1([C@H](C)[NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCC1 ZINC000657828552 430748610 /nfs/dbraw/zinc/74/86/10/430748610.db2.gz TZXQKXXWHFGCSZ-INIZCTEOSA-N 2 1 302.462 2.982 20 0 DFADMP COC1([C@H](C)[NH2+]CCC[N@H+]2CCc3ccccc3C2)CCC1 ZINC000657828552 430748614 /nfs/dbraw/zinc/74/86/14/430748614.db2.gz TZXQKXXWHFGCSZ-INIZCTEOSA-N 2 1 302.462 2.982 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657832422 430748825 /nfs/dbraw/zinc/74/88/25/430748825.db2.gz CQLBYZLAAOUYHG-LBPRGKRZSA-N 2 1 301.381 2.638 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(C(F)F)nc1 ZINC000657832422 430748830 /nfs/dbraw/zinc/74/88/30/430748830.db2.gz CQLBYZLAAOUYHG-LBPRGKRZSA-N 2 1 301.381 2.638 20 0 DFADMP CC[C@@H](C[NH+]1CCCC1)[NH2+]CCC(=O)Nc1cccc(F)c1 ZINC000644569546 430756583 /nfs/dbraw/zinc/75/65/83/430756583.db2.gz XECBSPGNSMNFJR-HNNXBMFYSA-N 2 1 307.413 2.618 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C1CC1)C1CC1 ZINC000644578794 430758789 /nfs/dbraw/zinc/75/87/89/430758789.db2.gz HFEFFYRFYLZZFH-SFHVURJKSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C1CC1)C1CC1 ZINC000644578794 430758793 /nfs/dbraw/zinc/75/87/93/430758793.db2.gz HFEFFYRFYLZZFH-SFHVURJKSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000644606255 430767781 /nfs/dbraw/zinc/76/77/81/430767781.db2.gz VNZIINYESRRUAN-GOSISDBHSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC1(C2CC2)CCC1 ZINC000644606255 430767783 /nfs/dbraw/zinc/76/77/83/430767783.db2.gz VNZIINYESRRUAN-GOSISDBHSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1COCCO1 ZINC000661612811 430773387 /nfs/dbraw/zinc/77/33/87/430773387.db2.gz CSKIFJLBZLHUPJ-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCO1 ZINC000648406078 430775632 /nfs/dbraw/zinc/77/56/32/430775632.db2.gz PEXCVUNQVOARIS-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCn2nccc21)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969790 430777844 /nfs/dbraw/zinc/77/78/44/430777844.db2.gz UTFJUHGTCMSJCL-UXLLHSPISA-N 2 1 302.466 2.961 20 0 DFADMP C[C@H]([NH2+][C@H]1CCCn2nccc21)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000657969790 430777848 /nfs/dbraw/zinc/77/78/48/430777848.db2.gz UTFJUHGTCMSJCL-UXLLHSPISA-N 2 1 302.466 2.961 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)CCO1 ZINC000648412665 430779335 /nfs/dbraw/zinc/77/93/35/430779335.db2.gz IDHRFMIFRFLZKM-MOPGFXCFSA-N 2 1 302.462 2.982 20 0 DFADMP CC[C@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)CCO1 ZINC000648412665 430779341 /nfs/dbraw/zinc/77/93/41/430779341.db2.gz IDHRFMIFRFLZKM-MOPGFXCFSA-N 2 1 302.462 2.982 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@@H]2CCC[C@H]21 ZINC000658105367 430813191 /nfs/dbraw/zinc/81/31/91/430813191.db2.gz IFDIOBKBXBHTFJ-OKZBNKHCSA-N 2 1 314.477 2.644 20 0 DFADMP C[C@@H](CCC1CC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658135962 430821469 /nfs/dbraw/zinc/82/14/69/430821469.db2.gz FXTBNZGOGBGGMH-KXBFYZLASA-N 2 1 302.462 2.922 20 0 DFADMP CO[C@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)COCc1ccccc1 ZINC000658133380 430821663 /nfs/dbraw/zinc/82/16/63/430821663.db2.gz QNOWWNFDVPOYCN-QXAKKESOSA-N 2 1 320.477 2.681 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000648560738 430823381 /nfs/dbraw/zinc/82/33/81/430823381.db2.gz MXFZIRGJDUHMJO-AYOQOUSVSA-N 2 1 302.462 2.849 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137153 430824178 /nfs/dbraw/zinc/82/41/78/430824178.db2.gz JBPZBOJLFPTPRG-WJFTUGDTSA-N 2 1 300.446 2.531 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C1(CO)CC1 ZINC000658158401 430826961 /nfs/dbraw/zinc/82/69/61/430826961.db2.gz BGSVPFWVQZHUSB-SOLBZPMBSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C)C1(CO)CC1 ZINC000658158401 430826966 /nfs/dbraw/zinc/82/69/66/430826966.db2.gz BGSVPFWVQZHUSB-SOLBZPMBSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1ccc(C)c(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000665117686 430827067 /nfs/dbraw/zinc/82/70/67/430827067.db2.gz DWRKTGKMBMOMCA-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP Cc1ccc(C)c(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665117686 430827072 /nfs/dbraw/zinc/82/70/72/430827072.db2.gz DWRKTGKMBMOMCA-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP Cc1cc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)cs1 ZINC000648586034 430830185 /nfs/dbraw/zinc/83/01/85/430830185.db2.gz WNMNVQVFNXWJFM-KRWDZBQOSA-N 2 1 307.507 2.657 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc3c(c1)OCCCCO3)C2 ZINC000648442214 430789031 /nfs/dbraw/zinc/78/90/31/430789031.db2.gz FNDKPTXLIJAQNA-OAHLLOKOSA-N 2 1 313.401 2.539 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccncc3C)C2)nc(C)[nH+]1 ZINC000648446241 430790722 /nfs/dbraw/zinc/79/07/22/430790722.db2.gz QMLBXDYENYHMPE-KRWDZBQOSA-N 2 1 311.433 2.555 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[NH+]2C)C1 ZINC000661649924 430790832 /nfs/dbraw/zinc/79/08/32/430790832.db2.gz QVUFWLQMYWLHPD-UXHICEINSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+](CCc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[N@@H+]2C)C1 ZINC000661649924 430790837 /nfs/dbraw/zinc/79/08/37/430790837.db2.gz QVUFWLQMYWLHPD-UXHICEINSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+](CCc1ccccc1)[C@H]1CCN(CC[C@H]2CCC[N@H+]2C)C1 ZINC000661649924 430790842 /nfs/dbraw/zinc/79/08/42/430790842.db2.gz QVUFWLQMYWLHPD-UXHICEINSA-N 2 1 315.505 2.720 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)Cc3ccoc3)C2)nc(C)[nH+]1 ZINC000648446234 430791160 /nfs/dbraw/zinc/79/11/60/430791160.db2.gz PHEXZMUJGXZXLQ-DYVFJYSZSA-N 2 1 314.433 2.876 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2ccccc2C1 ZINC000648454329 430792703 /nfs/dbraw/zinc/79/27/03/430792703.db2.gz COOCNHGWYNVRKU-WOJBJXKFSA-N 2 1 316.489 2.761 20 0 DFADMP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CCC1 ZINC000658089047 430806048 /nfs/dbraw/zinc/80/60/48/430806048.db2.gz WTZHGCXTLDHBIO-YRPNKDGESA-N 2 1 314.473 2.933 20 0 DFADMP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCCO3)CC1)CC2 ZINC000658240523 430849191 /nfs/dbraw/zinc/84/91/91/430849191.db2.gz YQKGHHPGMSZVFS-PKOBYXMFSA-N 2 1 316.445 2.613 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000658257522 430855425 /nfs/dbraw/zinc/85/54/25/430855425.db2.gz YTEHIZQNKZCLKT-QXCFHYIPSA-N 2 1 314.473 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000658257522 430855430 /nfs/dbraw/zinc/85/54/30/430855430.db2.gz YTEHIZQNKZCLKT-QXCFHYIPSA-N 2 1 314.473 2.790 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000651738182 430862147 /nfs/dbraw/zinc/86/21/47/430862147.db2.gz DJOKPXPHJZFKDD-GDBMZVCRSA-N 2 1 300.450 2.888 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2[nH+]c(C(C)C)n3ccccc23)C1 ZINC000651738182 430862152 /nfs/dbraw/zinc/86/21/52/430862152.db2.gz DJOKPXPHJZFKDD-GDBMZVCRSA-N 2 1 300.450 2.888 20 0 DFADMP COc1cccc(OC)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000665238364 430862851 /nfs/dbraw/zinc/86/28/51/430862851.db2.gz WWOKZNSITJSVDB-NUEKZKHPSA-N 2 1 304.434 2.714 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](N[C@H]2CC[NH2+][C@H](c3ccccc3)C2)C1 ZINC000665236594 430863503 /nfs/dbraw/zinc/86/35/03/430863503.db2.gz QJONQZHZQNLTNK-BZSNNMDCSA-N 2 1 301.478 2.942 20 0 DFADMP FC(F)(F)c1ncc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cn1 ZINC000665234791 430864030 /nfs/dbraw/zinc/86/40/30/430864030.db2.gz KDWDHWDMLPVQIU-FRRDWIJNSA-N 2 1 314.355 2.506 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](N[C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000665236595 430864128 /nfs/dbraw/zinc/86/41/28/430864128.db2.gz QJONQZHZQNLTNK-FGTMMUONSA-N 2 1 301.478 2.942 20 0 DFADMP C[C@@H](NCC1([NH3+])CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000665247893 430868212 /nfs/dbraw/zinc/86/82/12/430868212.db2.gz LKFGEAISUVVXQD-AEFFLSMTSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1cccc(F)c1)[C@H]1CCCOC1 ZINC000665254175 430871356 /nfs/dbraw/zinc/87/13/56/430871356.db2.gz JFYWGFUYEMOLGC-OXXUSNJHSA-N 2 1 306.425 2.676 20 0 DFADMP COC1CCC([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC1 ZINC000665257917 430871891 /nfs/dbraw/zinc/87/18/91/430871891.db2.gz YLPCRCJUONNFHJ-OPQOLIRYSA-N 2 1 306.425 2.818 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665266786 430876196 /nfs/dbraw/zinc/87/61/96/430876196.db2.gz JRWZTLGBXCAIBV-QRFRQXIXSA-N 2 1 315.505 2.942 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000648752381 430880393 /nfs/dbraw/zinc/88/03/93/430880393.db2.gz WYSNEHNPHLYXLN-OAHLLOKOSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000648752381 430880395 /nfs/dbraw/zinc/88/03/95/430880395.db2.gz WYSNEHNPHLYXLN-OAHLLOKOSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000648752380 430880898 /nfs/dbraw/zinc/88/08/98/430880898.db2.gz WYSNEHNPHLYXLN-HNNXBMFYSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000648752380 430880901 /nfs/dbraw/zinc/88/09/01/430880901.db2.gz WYSNEHNPHLYXLN-HNNXBMFYSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)[C@H]([NH3+])CC[NH2+][C@H](c1cnn(C)c1)c1cccc(F)c1 ZINC000665280551 430881323 /nfs/dbraw/zinc/88/13/23/430881323.db2.gz FWPZACSWYDAQEK-SJORKVTESA-N 2 1 304.413 2.612 20 0 DFADMP CC1(C)[C@H]([NH2+]CC23CC(C2)C[NH2+]3)C[C@H]1OCc1ccccc1 ZINC000665278355 430882016 /nfs/dbraw/zinc/88/20/16/430882016.db2.gz BTDJOYFVWSHWNG-VZDIDWBNSA-N 2 1 300.446 2.712 20 0 DFADMP C[C@H]([NH2+]Cc1cc(F)ccc1OC(F)F)[C@@H]1CCC[NH2+]C1 ZINC000665284072 430882473 /nfs/dbraw/zinc/88/24/73/430882473.db2.gz ZXSSVIDVYUZDDY-WDEREUQCSA-N 2 1 302.340 2.905 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCN2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658349383 430883221 /nfs/dbraw/zinc/88/32/21/430883221.db2.gz SVZPXQYWQNXAJT-MUGJNUQGSA-N 2 1 313.489 2.723 20 0 DFADMP CCC[NH+]1CCC(CNC(=O)C[C@H](C)n2cc[nH+]c2CC)CC1 ZINC000648757832 430883409 /nfs/dbraw/zinc/88/34/09/430883409.db2.gz NESBPECKNJZKCY-HNNXBMFYSA-N 2 1 320.481 2.635 20 0 DFADMP CCC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665290541 430887050 /nfs/dbraw/zinc/88/70/50/430887050.db2.gz CHKUOOHBMZCTOX-CQSZACIVSA-N 2 1 320.824 2.925 20 0 DFADMP c1ccc([C@@H]2CO[C@H](C[NH2+]C3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000658208888 430843306 /nfs/dbraw/zinc/84/33/06/430843306.db2.gz XYEIEHYOUPAOPQ-LPHOPBHVSA-N 2 1 300.446 2.776 20 0 DFADMP CCc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1 ZINC000665175450 430844216 /nfs/dbraw/zinc/84/42/16/430844216.db2.gz FILGIXYESSDNRB-HNNXBMFYSA-N 2 1 320.481 2.643 20 0 DFADMP CCc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1 ZINC000665175450 430844223 /nfs/dbraw/zinc/84/42/23/430844223.db2.gz FILGIXYESSDNRB-HNNXBMFYSA-N 2 1 320.481 2.643 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299837 430891045 /nfs/dbraw/zinc/89/10/45/430891045.db2.gz UHHMQODAKORSBP-DBVUQKKJSA-N 2 1 315.505 2.657 20 0 DFADMP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299635 430891156 /nfs/dbraw/zinc/89/11/56/430891156.db2.gz QRPZPNGGUNSYNE-CADBVGFASA-N 3 1 305.510 2.619 20 0 DFADMP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299635 430891159 /nfs/dbraw/zinc/89/11/59/430891159.db2.gz QRPZPNGGUNSYNE-CADBVGFASA-N 2 1 305.510 2.619 20 0 DFADMP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299635 430891163 /nfs/dbraw/zinc/89/11/63/430891163.db2.gz QRPZPNGGUNSYNE-CADBVGFASA-N 2 1 305.510 2.619 20 0 DFADMP c1cc(C[NH+]2CCCCC2)ccc1C[N@H+]1CCC2(COC2)C1 ZINC000662073381 430948963 /nfs/dbraw/zinc/94/89/63/430948963.db2.gz MZLRIHSGHGILTL-UHFFFAOYSA-N 2 1 300.446 2.895 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000648797890 430895386 /nfs/dbraw/zinc/89/53/86/430895386.db2.gz IRZGBYOEHXCDQI-JKSUJKDBSA-N 2 1 320.481 2.729 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[C@H]1CCCC[N@H+]1C ZINC000648797890 430895390 /nfs/dbraw/zinc/89/53/90/430895390.db2.gz IRZGBYOEHXCDQI-JKSUJKDBSA-N 2 1 320.481 2.729 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CO1 ZINC000651930759 430916953 /nfs/dbraw/zinc/91/69/53/430916953.db2.gz CAHJZMKDIGZXDF-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CO1 ZINC000651930759 430916959 /nfs/dbraw/zinc/91/69/59/430916959.db2.gz CAHJZMKDIGZXDF-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000648860070 430917500 /nfs/dbraw/zinc/91/75/00/430917500.db2.gz UNWXIQBQDCMJEV-CVEARBPZSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1nccn1[C@H](C)CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000648885968 430925662 /nfs/dbraw/zinc/92/56/62/430925662.db2.gz ZDGIULBWFKFMIZ-CABCVRRESA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000648885968 430925672 /nfs/dbraw/zinc/92/56/72/430925672.db2.gz ZDGIULBWFKFMIZ-CABCVRRESA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000648907502 430931869 /nfs/dbraw/zinc/93/18/69/430931869.db2.gz BEFOLZSYAFWRKP-WMZOPIPTSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1[C@H](C(=O)N(CC[NH+]2CCCCCC2)C2CCC2)CC[N@H+]1C ZINC000648904764 430932426 /nfs/dbraw/zinc/93/24/26/430932426.db2.gz QWHMDOAGWPIWIP-SJLPKXTDSA-N 2 1 321.509 2.584 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC(C)(C)CCC[NH+](C)C ZINC000648922018 430937766 /nfs/dbraw/zinc/93/77/66/430937766.db2.gz XWQVPCBSKAMELR-AWEZNQCLSA-N 2 1 308.470 2.633 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000652020147 430938336 /nfs/dbraw/zinc/93/83/36/430938336.db2.gz MJNZOLLHVRDHGX-CADBVGFASA-N 2 1 320.452 2.597 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000655351758 430972679 /nfs/dbraw/zinc/97/26/79/430972679.db2.gz SKAXNHHLLWHSCY-BZUAXINKSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@H]12 ZINC000655351758 430972685 /nfs/dbraw/zinc/97/26/85/430972685.db2.gz SKAXNHHLLWHSCY-BZUAXINKSA-N 2 1 318.465 2.530 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN(Cc3ccc(C4CCC4)cc3)CC2)C1 ZINC000662152376 430979783 /nfs/dbraw/zinc/97/97/83/430979783.db2.gz SSNLUQRPNCQLPZ-HXUWFJFHSA-N 2 1 314.473 2.985 20 0 DFADMP Cc1ccc2cc[nH+]c(N3CCOC4(CC[NH+](C)CC4)C3)c2c1 ZINC000645384118 430987862 /nfs/dbraw/zinc/98/78/62/430987862.db2.gz GHUMHVBOXOJMAM-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)C12CCOCC2 ZINC000652221906 430991496 /nfs/dbraw/zinc/99/14/96/430991496.db2.gz ACBWZBBADXIMHX-IRXDYDNUSA-N 2 1 312.498 2.528 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+][C@H](C)c1ccc(-n2cncn2)cc1 ZINC000652221111 430991568 /nfs/dbraw/zinc/99/15/68/430991568.db2.gz QVRFDRRRHCSCMG-MRXNPFEDSA-N 2 1 315.465 2.896 20 0 DFADMP C[C@@H]1[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)CCCN1Cc1ccccc1 ZINC000645434466 431001471 /nfs/dbraw/zinc/00/14/71/431001471.db2.gz ZEUYAMHWLOUPDE-BHIYHBOVSA-N 2 1 324.472 2.841 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@@]3(C)CCCO3)C2)nc(C)[nH+]1 ZINC000645433898 431001680 /nfs/dbraw/zinc/00/16/80/431001680.db2.gz GBPCOFAINKAARB-UWWQBHOKSA-N 2 1 318.465 2.609 20 0 DFADMP CC[N@H+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C[C@H]1C ZINC000665708723 431010506 /nfs/dbraw/zinc/01/05/06/431010506.db2.gz IDGDJBGWJZAPTQ-CYBMUJFWSA-N 2 1 315.417 2.782 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[C@@H]2CCC[N@@H+](C)C2)o1 ZINC000655326856 430960833 /nfs/dbraw/zinc/96/08/33/430960833.db2.gz XMZYZECNBMDHDX-HNNXBMFYSA-N 2 1 321.465 2.583 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662263314 431021760 /nfs/dbraw/zinc/02/17/60/431021760.db2.gz LHQZGHGKMADVAG-LJQANCHMSA-N 3 1 313.489 2.783 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662263314 431021763 /nfs/dbraw/zinc/02/17/63/431021763.db2.gz LHQZGHGKMADVAG-LJQANCHMSA-N 3 1 313.489 2.783 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3OC(F)F)C[C@@H]21 ZINC000662264536 431022836 /nfs/dbraw/zinc/02/28/36/431022836.db2.gz DQQMJUBIRGAZDP-LEWSCRJBSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3OC(F)F)C[C@@H]21 ZINC000662264536 431022843 /nfs/dbraw/zinc/02/28/43/431022843.db2.gz DQQMJUBIRGAZDP-LEWSCRJBSA-N 2 1 314.351 2.986 20 0 DFADMP CC(C[NH+](C)CC1=CCSC1)C[N@@H+](C)CC1=CCSC1 ZINC000662268176 431023605 /nfs/dbraw/zinc/02/36/05/431023605.db2.gz RPOBFIDDMUZRHG-UHFFFAOYSA-N 2 1 312.548 2.833 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H]([C@@H](C)[NH3+])C3)on2)cc1 ZINC000662267253 431025620 /nfs/dbraw/zinc/02/56/20/431025620.db2.gz TUTRMEXGTFXAOJ-TZMCWYRMSA-N 2 1 301.390 2.519 20 0 DFADMP CO[C@H](C[N@@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1)C1CCC1 ZINC000662268015 431026065 /nfs/dbraw/zinc/02/60/65/431026065.db2.gz MBSIVWYSEYGDDZ-GOEBONIOSA-N 2 1 323.506 2.678 20 0 DFADMP CO[C@H](C[N@H+](Cc1scnc1C)C[C@H]1CC[NH2+]C1)C1CCC1 ZINC000662268015 431026069 /nfs/dbraw/zinc/02/60/69/431026069.db2.gz MBSIVWYSEYGDDZ-GOEBONIOSA-N 2 1 323.506 2.678 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339146 431026084 /nfs/dbraw/zinc/02/60/84/431026084.db2.gz FFLLFBMBFUXLME-UHFFFAOYSA-N 2 1 320.440 2.851 20 0 DFADMP Cn1c2ccccc2nc1C[N@@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000652339146 431026085 /nfs/dbraw/zinc/02/60/85/431026085.db2.gz FFLLFBMBFUXLME-UHFFFAOYSA-N 2 1 320.440 2.851 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](CCCc3cccc(F)c3)C2)C1 ZINC000652349469 431026742 /nfs/dbraw/zinc/02/67/42/431026742.db2.gz PHLBVHNNUYXTQE-QRQLOZEOSA-N 2 1 320.452 2.977 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cc(F)ccc2OC(F)F)C1 ZINC000662271821 431028230 /nfs/dbraw/zinc/02/82/30/431028230.db2.gz JLLIPQZZYDSPJC-LLVKDONJSA-N 2 1 302.340 2.988 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H]([NH3+])C[C@@H]3C)on2)cc1 ZINC000662282908 431032105 /nfs/dbraw/zinc/03/21/05/431032105.db2.gz DGFOOPVMSALITR-GXTWGEPZSA-N 2 1 301.390 2.662 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H]([NH3+])C[C@@H]3C)on2)cc1 ZINC000662282908 431032111 /nfs/dbraw/zinc/03/21/11/431032111.db2.gz DGFOOPVMSALITR-GXTWGEPZSA-N 2 1 301.390 2.662 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2CCOCc2ccccc2)C1 ZINC000662282559 431032526 /nfs/dbraw/zinc/03/25/26/431032526.db2.gz CGMYFESBKLMAIA-CEXWTWQISA-N 2 1 318.461 2.564 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363824 431032609 /nfs/dbraw/zinc/03/26/09/431032609.db2.gz OWPPWJMXTUHNPG-QRQLOZEOSA-N 2 1 317.477 2.613 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)on2)cc1 ZINC000662282726 431032956 /nfs/dbraw/zinc/03/29/56/431032956.db2.gz QFWRSTGZNJEBQK-HIFRSBDPSA-N 2 1 315.417 2.767 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)on2)cc1 ZINC000662282726 431032959 /nfs/dbraw/zinc/03/29/59/431032959.db2.gz QFWRSTGZNJEBQK-HIFRSBDPSA-N 2 1 315.417 2.767 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363825 431033400 /nfs/dbraw/zinc/03/34/00/431033400.db2.gz OWPPWJMXTUHNPG-QXAKKESOSA-N 2 1 317.477 2.613 20 0 DFADMP FC(F)(F)[C@@H]1CC[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC12CCC2 ZINC000662280826 431033620 /nfs/dbraw/zinc/03/36/20/431033620.db2.gz GCHXACWCUHRCHL-CHWSQXEVSA-N 2 1 318.383 2.562 20 0 DFADMP COc1cccc(SCC[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000662283851 431033737 /nfs/dbraw/zinc/03/37/37/431033737.db2.gz CZACZYWBJGSCBL-YOEHRIQHSA-N 2 1 306.475 2.848 20 0 DFADMP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294666 431034135 /nfs/dbraw/zinc/03/41/35/431034135.db2.gz DNYGORYKYSUBGO-WFASDCNBSA-N 2 1 304.438 2.720 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000662286907 431034597 /nfs/dbraw/zinc/03/45/97/431034597.db2.gz TVMSKJIYAQEHNK-LXTVHRRPSA-N 2 1 304.425 2.886 20 0 DFADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000662293336 431034841 /nfs/dbraw/zinc/03/48/41/431034841.db2.gz QNXBCKBSEHXCEP-WFASDCNBSA-N 2 1 304.438 2.720 20 0 DFADMP Cc1cccc2nc(C[N@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn21 ZINC000662292699 431036425 /nfs/dbraw/zinc/03/64/25/431036425.db2.gz HTEIRLVSKWDFNG-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295783 431037462 /nfs/dbraw/zinc/03/74/62/431037462.db2.gz UDSPATCBLKRBID-DOTOQJQBSA-N 2 1 315.461 2.725 20 0 DFADMP C[N@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(C)(C)[NH3+] ZINC000662296955 431037520 /nfs/dbraw/zinc/03/75/20/431037520.db2.gz GTGXMDXMUCQBLX-UHFFFAOYSA-N 2 1 318.248 2.991 20 0 DFADMP C[N@@H+](CCC(=O)Nc1c(Cl)cccc1Cl)CC(C)(C)[NH3+] ZINC000662296955 431037524 /nfs/dbraw/zinc/03/75/24/431037524.db2.gz GTGXMDXMUCQBLX-UHFFFAOYSA-N 2 1 318.248 2.991 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295784 431038992 /nfs/dbraw/zinc/03/89/92/431038992.db2.gz UDSPATCBLKRBID-NVXWUHKLSA-N 2 1 315.461 2.725 20 0 DFADMP Brc1cc2c(s1)CC[N@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662312302 431041344 /nfs/dbraw/zinc/04/13/44/431041344.db2.gz YAXTVXLUENVBIM-JTQLQIEISA-N 2 1 315.280 2.868 20 0 DFADMP Brc1cc2c(s1)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)C2 ZINC000662312302 431041350 /nfs/dbraw/zinc/04/13/50/431041350.db2.gz YAXTVXLUENVBIM-JTQLQIEISA-N 2 1 315.280 2.868 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])n1 ZINC000662314837 431044808 /nfs/dbraw/zinc/04/48/08/431044808.db2.gz RHBZXUJCQFCUCP-HUUCEWRRSA-N 2 1 308.470 2.998 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](CCSc2ccccc2)CCO1 ZINC000662321763 431045641 /nfs/dbraw/zinc/04/56/41/431045641.db2.gz SLNRGCLHKNCXDS-INIZCTEOSA-N 2 1 308.491 2.821 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCSc2ccccc2)CCO1 ZINC000662321763 431045644 /nfs/dbraw/zinc/04/56/44/431045644.db2.gz SLNRGCLHKNCXDS-INIZCTEOSA-N 2 1 308.491 2.821 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319213 431046076 /nfs/dbraw/zinc/04/60/76/431046076.db2.gz KSNZAQVHGWFWNS-KRWDZBQOSA-N 2 1 306.450 2.546 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662319213 431046080 /nfs/dbraw/zinc/04/60/80/431046080.db2.gz KSNZAQVHGWFWNS-KRWDZBQOSA-N 2 1 306.450 2.546 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@H]2CCc3ccccc3C2)CCO1 ZINC000662325876 431046467 /nfs/dbraw/zinc/04/64/67/431046467.db2.gz RWYBDMRUTFLBCU-PXNSSMCTSA-N 2 1 316.489 2.834 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2cnc3ccccc3c2)CCO1 ZINC000662324879 431047999 /nfs/dbraw/zinc/04/79/99/431047999.db2.gz ZTFABVNJOUNQFJ-GOSISDBHSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cnc3ccccc3c2)CCO1 ZINC000662324879 431048001 /nfs/dbraw/zinc/04/80/01/431048001.db2.gz ZTFABVNJOUNQFJ-GOSISDBHSA-N 2 1 313.445 2.777 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@](C)(C(F)F)O1 ZINC000662334991 431051670 /nfs/dbraw/zinc/05/16/70/431051670.db2.gz FWWHINQJKLFIHK-PXAZEXFGSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@](C)(C(F)F)O1 ZINC000662334991 431051674 /nfs/dbraw/zinc/05/16/74/431051674.db2.gz FWWHINQJKLFIHK-PXAZEXFGSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CCC(C)(C)[NH3+])C1 ZINC000649311338 431061885 /nfs/dbraw/zinc/06/18/85/431061885.db2.gz IWMCCJDODVHXBF-HZPDHXFCSA-N 2 1 309.498 2.617 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000649309940 431062329 /nfs/dbraw/zinc/06/23/29/431062329.db2.gz LPAFZZSGEHZLGW-BBRMVZONSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H](CNC(=O)[C@H]([NH3+])c1cccc(Cl)c1)[NH+]1CCC(C)CC1 ZINC000649309947 431062967 /nfs/dbraw/zinc/06/29/67/431062967.db2.gz LPAFZZSGEHZLGW-XJKSGUPXSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H](c1ccc(NC(=O)CCC(C)(C)[NH3+])cc1)[NH+]1CCOCC1 ZINC000649322641 431068396 /nfs/dbraw/zinc/06/83/96/431068396.db2.gz BXAXMGIHJSQGAB-AWEZNQCLSA-N 2 1 319.449 2.536 20 0 DFADMP CC[C@@H]([NH2+]C)C(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000662386461 431068493 /nfs/dbraw/zinc/06/84/93/431068493.db2.gz AJMSONACXSZWDM-MAUKXSAKSA-N 2 1 317.477 2.533 20 0 DFADMP COc1ccc2c(c1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662252909 431015890 /nfs/dbraw/zinc/01/58/90/431015890.db2.gz DEUZCARARZQRMR-UHFFFAOYSA-N 2 1 308.425 2.899 20 0 DFADMP C[N@@H+](CCCOc1cccc(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252000 431016045 /nfs/dbraw/zinc/01/60/45/431016045.db2.gz HRCDNFCNAOUNPV-INIZCTEOSA-N 2 1 324.852 2.562 20 0 DFADMP Cc1ccc(C[C@@H]2CCC[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256149 431016394 /nfs/dbraw/zinc/01/63/94/431016394.db2.gz HDZAXVIJGNBRJS-RBUKOAKNSA-N 2 1 314.473 2.771 20 0 DFADMP CCO[C@@H]1C[C@H]([N@@H+](C)C[C@@H]2CCC3(C[NH2+]C3)O2)C12CCCCC2 ZINC000662255723 431017190 /nfs/dbraw/zinc/01/71/90/431017190.db2.gz DPZQMHRLBWTBNX-YESZJQIVSA-N 2 1 322.493 2.567 20 0 DFADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254382 431017321 /nfs/dbraw/zinc/01/73/21/431017321.db2.gz HULKHMZHDLAXKK-KRWDZBQOSA-N 2 1 306.425 2.601 20 0 DFADMP C[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000645502405 431017857 /nfs/dbraw/zinc/01/78/57/431017857.db2.gz GCDVSIIDBOQSNV-RKVPGOIHSA-N 2 1 315.461 2.855 20 0 DFADMP c1ccc(SC[C@@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256350 431018283 /nfs/dbraw/zinc/01/82/83/431018283.db2.gz IMJLILDXSCJXNX-CVEARBPZSA-N 2 1 318.486 2.622 20 0 DFADMP CCCC[N@H+](Cc1ccccc1F)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662257401 431018973 /nfs/dbraw/zinc/01/89/73/431018973.db2.gz NTEZPIBYQGCSJC-MRXNPFEDSA-N 2 1 306.425 2.949 20 0 DFADMP Cc1ccc(C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1C ZINC000662258131 431019303 /nfs/dbraw/zinc/01/93/03/431019303.db2.gz XFAOSXXIJMGSQC-GOSISDBHSA-N 2 1 300.446 2.789 20 0 DFADMP CC(C)(C)OC1CC(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)C1 ZINC000655759152 431119579 /nfs/dbraw/zinc/11/95/79/431119579.db2.gz JMPVKIQCOXRSLZ-NXYGQSRBSA-N 2 1 324.509 2.813 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000645941819 431122566 /nfs/dbraw/zinc/12/25/66/431122566.db2.gz ICOMHVNJIKEIKE-MRXNPFEDSA-N 2 1 318.465 2.654 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000652522273 431080135 /nfs/dbraw/zinc/08/01/35/431080135.db2.gz AYBVMXFYJPHKQN-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000652522273 431080138 /nfs/dbraw/zinc/08/01/38/431080138.db2.gz AYBVMXFYJPHKQN-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000652522273 431080143 /nfs/dbraw/zinc/08/01/43/431080143.db2.gz AYBVMXFYJPHKQN-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662438731 431080892 /nfs/dbraw/zinc/08/08/92/431080892.db2.gz ASMBYTGDYGFNQT-RHSMWYFYSA-N 2 1 317.477 2.525 20 0 DFADMP c1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CCC2)cc1 ZINC000655686159 431082726 /nfs/dbraw/zinc/08/27/26/431082726.db2.gz YCKKZZPVZSPJCW-IBGZPJMESA-N 2 1 314.473 2.951 20 0 DFADMP CC(C)Oc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655686789 431083034 /nfs/dbraw/zinc/08/30/34/431083034.db2.gz DFJRDTYCCFGSEL-SFHVURJKSA-N 2 1 318.461 2.817 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662448861 431083896 /nfs/dbraw/zinc/08/38/96/431083896.db2.gz QSVQGTFWTAFFCT-WMZOPIPTSA-N 2 1 324.428 2.590 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698199 431086405 /nfs/dbraw/zinc/08/64/05/431086405.db2.gz ZNWRTQQOHXEYEG-NEWSRXKRSA-N 2 1 324.509 2.815 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000662458459 431086571 /nfs/dbraw/zinc/08/65/71/431086571.db2.gz MKWZTHVWMWORHJ-AEFFLSMTSA-N 2 1 315.461 2.602 20 0 DFADMP C(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)COC1CCCCC1 ZINC000655695608 431087167 /nfs/dbraw/zinc/08/71/67/431087167.db2.gz OCUKOZDPVBUFND-LJQANCHMSA-N 2 1 324.509 2.959 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)c1ccccc1 ZINC000655696945 431087680 /nfs/dbraw/zinc/08/76/80/431087680.db2.gz CUVUJSMSWBLPBT-RBUKOAKNSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655698200 431088057 /nfs/dbraw/zinc/08/80/57/431088057.db2.gz ZNWRTQQOHXEYEG-NZSAHSFTSA-N 2 1 324.509 2.815 20 0 DFADMP Clc1cccc(OCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655700416 431088338 /nfs/dbraw/zinc/08/83/38/431088338.db2.gz HCBFRXDOYDOWST-MRXNPFEDSA-N 2 1 324.852 2.562 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCC[NH+]1CCCC1 ZINC000655704314 431090954 /nfs/dbraw/zinc/09/09/54/431090954.db2.gz AIKZKBVSESZCJX-UHFFFAOYSA-N 2 1 316.424 2.895 20 0 DFADMP Cc1csc(CCCC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)n1 ZINC000655707868 431091338 /nfs/dbraw/zinc/09/13/38/431091338.db2.gz GKPCCOQOTFAARV-MRXNPFEDSA-N 2 1 323.506 2.617 20 0 DFADMP c1ccc(N2CCC[N@H+](CCCC3CC[NH2+]CC3)CC2)cc1 ZINC000649411901 431093413 /nfs/dbraw/zinc/09/34/13/431093413.db2.gz QVWNLZKSKDOVSY-UHFFFAOYSA-N 2 1 301.478 2.979 20 0 DFADMP CC[N@H+]1CC[C@@H](CNCc2cn(-c3ccccc3F)nc2C)C1 ZINC000655712964 431093792 /nfs/dbraw/zinc/09/37/92/431093792.db2.gz WPJIPAYFVVVUGR-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655712964 431093797 /nfs/dbraw/zinc/09/37/97/431093797.db2.gz WPJIPAYFVVVUGR-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccccc3F)nc2C)C1 ZINC000655712964 431093802 /nfs/dbraw/zinc/09/38/02/431093802.db2.gz WPJIPAYFVVVUGR-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP CCN1C[C@H](C[N@@H+](C)CC[C@@H]2CCC[NH2+]C2)Oc2ccccc21 ZINC000649411425 431093894 /nfs/dbraw/zinc/09/38/94/431093894.db2.gz WPNHOYXTYUTGBA-IRXDYDNUSA-N 2 1 317.477 2.595 20 0 DFADMP CN(CCC[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000645865894 431094620 /nfs/dbraw/zinc/09/46/20/431094620.db2.gz GNJXPLNQSBDLEL-KRWDZBQOSA-N 2 1 312.461 2.904 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)c1ccccc1 ZINC000645865894 431094625 /nfs/dbraw/zinc/09/46/25/431094625.db2.gz GNJXPLNQSBDLEL-KRWDZBQOSA-N 2 1 312.461 2.904 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655715888 431095784 /nfs/dbraw/zinc/09/57/84/431095784.db2.gz JGXCGTQXOHUSGI-RDTXWAMCSA-N 2 1 306.425 2.772 20 0 DFADMP Fc1ccc(F)c(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655718760 431099271 /nfs/dbraw/zinc/09/92/71/431099271.db2.gz MBZGTAKBCYOESJ-KRWDZBQOSA-N 2 1 324.415 2.740 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CC[C@H](C)SC3)C2)nc(C)[nH+]1 ZINC000655731806 431105001 /nfs/dbraw/zinc/10/50/01/431105001.db2.gz UINXFHFAQLOBTK-BPUTZDHNSA-N 2 1 320.506 2.936 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N ZINC000649450896 431105212 /nfs/dbraw/zinc/10/52/12/431105212.db2.gz BXQWCTZBDHOZDP-QAPCUYQASA-N 2 1 310.445 2.664 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cccnc1N ZINC000649450896 431105217 /nfs/dbraw/zinc/10/52/17/431105217.db2.gz BXQWCTZBDHOZDP-QAPCUYQASA-N 2 1 310.445 2.664 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000655732965 431105437 /nfs/dbraw/zinc/10/54/37/431105437.db2.gz GZDIHZLPWTYTAP-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000655732965 431105442 /nfs/dbraw/zinc/10/54/42/431105442.db2.gz GZDIHZLPWTYTAP-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP CC(C)[C@@H]1OCCC[C@H]1C[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655731203 431105711 /nfs/dbraw/zinc/10/57/11/431105711.db2.gz QWZKOJQKLBUMKN-WDSOQIARSA-N 2 1 324.509 2.671 20 0 DFADMP c1ccc(CC2(C[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)CC2)cc1 ZINC000655735171 431105971 /nfs/dbraw/zinc/10/59/71/431105971.db2.gz RSAONHUNDQNQHE-LJQANCHMSA-N 2 1 314.473 2.852 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CC[C@H](C)SC3)C2)nc(C)[nH+]1 ZINC000655731813 431106165 /nfs/dbraw/zinc/10/61/65/431106165.db2.gz UINXFHFAQLOBTK-CWRNSKLLSA-N 2 1 320.506 2.936 20 0 DFADMP CN(CC[N@@H+](C)C[C@H]1CCc2nccn2C1)Cc1ccccc1 ZINC000649460630 431107745 /nfs/dbraw/zinc/10/77/45/431107745.db2.gz DMTTYYPCKYREBA-GOSISDBHSA-N 2 1 312.461 2.509 20 0 DFADMP CN(CC[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000649460630 431107746 /nfs/dbraw/zinc/10/77/46/431107746.db2.gz DMTTYYPCKYREBA-GOSISDBHSA-N 2 1 312.461 2.509 20 0 DFADMP CN(CC[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1)Cc1ccccc1 ZINC000649460630 431107752 /nfs/dbraw/zinc/10/77/52/431107752.db2.gz DMTTYYPCKYREBA-GOSISDBHSA-N 2 1 312.461 2.509 20 0 DFADMP c1csc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1 ZINC000655735551 431108059 /nfs/dbraw/zinc/10/80/59/431108059.db2.gz JGWIQOYRMMUQGX-MRXNPFEDSA-N 2 1 308.491 2.914 20 0 DFADMP COCC(C)(C)CCC[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655769120 431130231 /nfs/dbraw/zinc/13/02/31/431130231.db2.gz VTJHDMMXZMWBNK-KRWDZBQOSA-N 2 1 312.498 2.672 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662594456 431127600 /nfs/dbraw/zinc/12/76/00/431127600.db2.gz SSXIUSDRKVLYDU-JKSUJKDBSA-N 2 1 309.498 2.521 20 0 DFADMP C=Cc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655769210 431127757 /nfs/dbraw/zinc/12/77/57/431127757.db2.gz FLIJTPXBVVWYCH-IBGZPJMESA-N 2 1 300.446 2.715 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361942480 279074461 /nfs/dbraw/zinc/07/44/61/279074461.db2.gz WJSIHXUUCDQNDD-CVEARBPZSA-N 2 1 320.481 2.728 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@H]1Cn1cc[nH+]c1C(C)C ZINC000361942480 279074462 /nfs/dbraw/zinc/07/44/62/279074462.db2.gz WJSIHXUUCDQNDD-CVEARBPZSA-N 2 1 320.481 2.728 20 0 DFADMP Cc1nc(C)c([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)s1 ZINC000178070645 279079406 /nfs/dbraw/zinc/07/94/06/279079406.db2.gz ZYFHLIZFJYRLBW-SWLSCSKDSA-N 2 1 311.495 2.647 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CCOC2(CCC2)C1 ZINC000655773312 431131261 /nfs/dbraw/zinc/13/12/61/431131261.db2.gz VLPOPUCGFYWOGA-FUHWJXTLSA-N 2 1 322.493 2.569 20 0 DFADMP FC1(F)CC(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C1 ZINC000655775099 431131541 /nfs/dbraw/zinc/13/15/41/431131541.db2.gz ONYGDXVJHIGIBQ-HNNXBMFYSA-N 2 1 302.409 2.655 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1(O)CCCC1 ZINC000655773989 431132266 /nfs/dbraw/zinc/13/22/66/431132266.db2.gz MUGUKDNRNUVEKJ-QGZVFWFLSA-N 2 1 324.509 2.551 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000163393775 279170457 /nfs/dbraw/zinc/17/04/57/279170457.db2.gz PGWFIVGSHJBPMH-MRXNPFEDSA-N 2 1 301.438 2.715 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@@H]1CCCc2c1cnn2C ZINC000163393775 279170459 /nfs/dbraw/zinc/17/04/59/279170459.db2.gz PGWFIVGSHJBPMH-MRXNPFEDSA-N 2 1 301.438 2.715 20 0 DFADMP C[NH+](C)C1CC[NH+](CC[C@H]2Sc3ccccc3NC2=O)CC1 ZINC000659837356 431135259 /nfs/dbraw/zinc/13/52/59/431135259.db2.gz FXJNOZUPSAKXGB-MRXNPFEDSA-N 2 1 319.474 2.516 20 0 DFADMP C[C@H](C(=O)NC[C@@H](c1cccs1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000249737848 279224496 /nfs/dbraw/zinc/22/44/96/279224496.db2.gz HASIXLBVKBBKJG-BARDWOONSA-N 2 1 323.506 2.728 20 0 DFADMP C[N@H+]1C[C@@H](CNCc2cc3n(n2)CCCC3)[C@H](c2ccccc2)C1 ZINC000655788222 431138488 /nfs/dbraw/zinc/13/84/88/431138488.db2.gz FJZUPQIHBMIOBT-XLIONFOSSA-N 2 1 324.472 2.654 20 0 DFADMP C[C@H](C[S@@](C)=O)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000286327670 279374463 /nfs/dbraw/zinc/37/44/63/279374463.db2.gz YHBXTONRHIULAN-AAGDERGWSA-N 2 1 322.518 2.786 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@@H](C2CC2)[C@H]2CCCCO2)CC1 ZINC000655792272 431144503 /nfs/dbraw/zinc/14/45/03/431144503.db2.gz YQSORJIBTIPNLE-QRVBRYPASA-N 2 1 322.493 2.567 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCOC1 ZINC000659878788 431170225 /nfs/dbraw/zinc/17/02/25/431170225.db2.gz QPDWLUBDTLOHJI-IPMKNSEASA-N 2 1 324.509 2.626 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)[C@@H]1CCOC1 ZINC000659878785 431171227 /nfs/dbraw/zinc/17/12/27/431171227.db2.gz QPDWLUBDTLOHJI-GUDVDZBRSA-N 2 1 324.509 2.626 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000649583682 431173999 /nfs/dbraw/zinc/17/39/99/431173999.db2.gz WAZDFJOYVOEUMC-HOTGVXAUSA-N 2 1 302.466 2.570 20 0 DFADMP C[N@@H+]1CCC[C@H]1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649582046 431177233 /nfs/dbraw/zinc/17/72/33/431177233.db2.gz WAFZDSPYZZPIBG-OALUTQOASA-N 2 1 301.478 2.897 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000649582046 431177237 /nfs/dbraw/zinc/17/72/37/431177237.db2.gz WAFZDSPYZZPIBG-OALUTQOASA-N 2 1 301.478 2.897 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccccn2)[C@@H](C)C1 ZINC000655836211 431177713 /nfs/dbraw/zinc/17/77/13/431177713.db2.gz FXCQXLABKXCEGH-SCTDSRPQSA-N 2 1 319.493 2.739 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000659939887 431201562 /nfs/dbraw/zinc/20/15/62/431201562.db2.gz KOWVXGRLDHXGQX-KYJSFNMBSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000659939887 431201567 /nfs/dbraw/zinc/20/15/67/431201567.db2.gz KOWVXGRLDHXGQX-KYJSFNMBSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000659939887 431201571 /nfs/dbraw/zinc/20/15/71/431201571.db2.gz KOWVXGRLDHXGQX-KYJSFNMBSA-N 2 1 308.441 2.705 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccc(F)cc2)C[C@H]1C ZINC000659939887 431201578 /nfs/dbraw/zinc/20/15/78/431201578.db2.gz KOWVXGRLDHXGQX-KYJSFNMBSA-N 2 1 308.441 2.705 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CCC2CCC2)CC1)Cc1ccccc1 ZINC000659911433 431182363 /nfs/dbraw/zinc/18/23/63/431182363.db2.gz GFNVUDSNFIDKTN-UHFFFAOYSA-N 2 1 315.505 2.926 20 0 DFADMP Cc1ccccc1C1CC[NH+](C[C@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659907226 431183016 /nfs/dbraw/zinc/18/30/16/431183016.db2.gz XQAZGUSKOQGYFP-GOSISDBHSA-N 2 1 304.478 2.876 20 0 DFADMP Cc1ccccc1C1CC[NH+](C[C@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659907226 431183024 /nfs/dbraw/zinc/18/30/24/431183024.db2.gz XQAZGUSKOQGYFP-GOSISDBHSA-N 2 1 304.478 2.876 20 0 DFADMP COc1cccc2c1OCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000655851597 431186667 /nfs/dbraw/zinc/18/66/67/431186667.db2.gz ZIBPASFQNQGMCM-MXASKKJJSA-N 2 1 316.445 2.981 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000659920437 431186903 /nfs/dbraw/zinc/18/69/03/431186903.db2.gz LLRQBALKFRDLAQ-GOSISDBHSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000659920437 431186911 /nfs/dbraw/zinc/18/69/11/431186911.db2.gz LLRQBALKFRDLAQ-GOSISDBHSA-N 2 1 322.468 2.781 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccc(Cl)cc1)CCO2 ZINC000646103131 431189068 /nfs/dbraw/zinc/18/90/68/431189068.db2.gz DBJFSIKTXFSTAT-UHFFFAOYSA-N 2 1 324.852 2.515 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCOc1ccc(Cl)cc1)CCO2 ZINC000646103131 431189076 /nfs/dbraw/zinc/18/90/76/431189076.db2.gz DBJFSIKTXFSTAT-UHFFFAOYSA-N 2 1 324.852 2.515 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)C[C@@H]3CCCO3)C2)s1 ZINC000649604447 431192135 /nfs/dbraw/zinc/19/21/35/431192135.db2.gz FKNMJVLBEJQBTA-CVEARBPZSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCO3)C2)s1 ZINC000649604447 431192144 /nfs/dbraw/zinc/19/21/44/431192144.db2.gz FKNMJVLBEJQBTA-CVEARBPZSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@@H]3CCCO3)C2)s1 ZINC000649604447 431192148 /nfs/dbraw/zinc/19/21/48/431192148.db2.gz FKNMJVLBEJQBTA-CVEARBPZSA-N 2 1 308.491 2.989 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000655805796 431156323 /nfs/dbraw/zinc/15/63/23/431156323.db2.gz SFINXLLBJIGEBD-AFYVEPGGSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000655805796 431156331 /nfs/dbraw/zinc/15/63/31/431156331.db2.gz SFINXLLBJIGEBD-AFYVEPGGSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](C[C@H](OC)C2CCCC2)C1 ZINC000659979501 431218769 /nfs/dbraw/zinc/21/87/69/431218769.db2.gz MJWYYNFIWVRMGR-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H](OC3CCC3)C1)C[NH2+]CC2 ZINC000655945937 431225294 /nfs/dbraw/zinc/22/52/94/431225294.db2.gz IBHBJUOBOBBUAW-IBGZPJMESA-N 2 1 300.446 2.866 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000660035842 431242171 /nfs/dbraw/zinc/24/21/71/431242171.db2.gz DEEVQBNOOCXAMD-PKOBYXMFSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000660035842 431242177 /nfs/dbraw/zinc/24/21/77/431242177.db2.gz DEEVQBNOOCXAMD-PKOBYXMFSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000660035842 431242182 /nfs/dbraw/zinc/24/21/82/431242182.db2.gz DEEVQBNOOCXAMD-PKOBYXMFSA-N 2 1 302.462 2.839 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C1CC1)[C@@H]1CCc2ccccc21 ZINC000660035842 431242189 /nfs/dbraw/zinc/24/21/89/431242189.db2.gz DEEVQBNOOCXAMD-PKOBYXMFSA-N 2 1 302.462 2.839 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000757 431252866 /nfs/dbraw/zinc/25/28/66/431252866.db2.gz MFUNLKMWUIOKHT-FGTMMUONSA-N 2 1 321.509 2.522 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000660066381 431254863 /nfs/dbraw/zinc/25/48/63/431254863.db2.gz ZHZCXQOZSWZEKY-QZTJIDSGSA-N 2 1 308.441 2.958 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1 ZINC000660066381 431254873 /nfs/dbraw/zinc/25/48/73/431254873.db2.gz ZHZCXQOZSWZEKY-QZTJIDSGSA-N 2 1 308.441 2.958 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660150327 431291424 /nfs/dbraw/zinc/29/14/24/431291424.db2.gz OXZSKTAILSJVBB-RTBURBONSA-N 2 1 314.473 2.888 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)C1 ZINC000666614884 431297375 /nfs/dbraw/zinc/29/73/75/431297375.db2.gz QIGHMVJLDXKDGA-HNNXBMFYSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3([NH+](C)C)CC3)cc2)C1 ZINC000666614884 431297380 /nfs/dbraw/zinc/29/73/80/431297380.db2.gz QIGHMVJLDXKDGA-HNNXBMFYSA-N 2 1 315.461 2.951 20 0 DFADMP CC[NH+]1CCC(Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC1 ZINC000656106712 431264245 /nfs/dbraw/zinc/26/42/45/431264245.db2.gz YWVKCUBKSNYRHV-UHFFFAOYSA-N 2 1 317.481 2.999 20 0 DFADMP C[C@@H]1C[C@@H](Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[N@@H+]1C ZINC000656128720 431273563 /nfs/dbraw/zinc/27/35/63/431273563.db2.gz DDIIZIQPKHHHQE-CABCVRRESA-N 2 1 317.481 2.998 20 0 DFADMP C[C@@H]1C[C@@H](Nc2nc(N3CCCC(C)(C)C3)cc[nH+]2)CC[N@H+]1C ZINC000656128720 431273570 /nfs/dbraw/zinc/27/35/70/431273570.db2.gz DDIIZIQPKHHHQE-CABCVRRESA-N 2 1 317.481 2.998 20 0 DFADMP COC[C@H]1CCC[N@H+]1CC[C@H](C)CC[NH+]1CCC[C@H]1COC ZINC000663065380 431275284 /nfs/dbraw/zinc/27/52/84/431275284.db2.gz CYOJOEFXAYZXQN-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP COC[C@H]1CCC[NH+]1CC[C@H](C)CC[N@@H+]1CCC[C@H]1COC ZINC000663065380 431275293 /nfs/dbraw/zinc/27/52/93/431275293.db2.gz CYOJOEFXAYZXQN-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP COC[C@H]1CCC[NH+]1CC[C@H](C)CC[N@H+]1CCC[C@H]1COC ZINC000663065380 431275294 /nfs/dbraw/zinc/27/52/94/431275294.db2.gz CYOJOEFXAYZXQN-BCDXTJNWSA-N 2 1 312.498 2.624 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](NCc2nc(C)oc2C)[C@H](C)C1 ZINC000660303945 431369332 /nfs/dbraw/zinc/36/93/32/431369332.db2.gz AAXNZCHNSPHSKO-CJNGLKHVSA-N 2 1 309.454 2.518 20 0 DFADMP CC[NH+](CC)CCCN1CC[N@@H+](C)C[C@H]1Cc1ccccc1 ZINC000649828809 431320008 /nfs/dbraw/zinc/32/00/08/431320008.db2.gz TYQKMIAWSMINGY-LJQANCHMSA-N 2 1 303.494 2.577 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](C[C@@H]3CCC(C)(C)O3)CC2)C[C@H](C)O1 ZINC000186927873 288153175 /nfs/dbraw/zinc/15/31/75/288153175.db2.gz GKHGVYZBVCBQIK-JZXOWHBKSA-N 2 1 324.509 2.765 20 0 DFADMP COc1cc(CN[C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000660257890 431343900 /nfs/dbraw/zinc/34/39/00/431343900.db2.gz XQLVLLFBGAVJLQ-OLZOCXBDSA-N 2 1 309.479 2.894 20 0 DFADMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)sn1 ZINC000660257890 431343908 /nfs/dbraw/zinc/34/39/08/431343908.db2.gz XQLVLLFBGAVJLQ-OLZOCXBDSA-N 2 1 309.479 2.894 20 0 DFADMP COc1cc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)sn1 ZINC000660257890 431343915 /nfs/dbraw/zinc/34/39/15/431343915.db2.gz XQLVLLFBGAVJLQ-OLZOCXBDSA-N 2 1 309.479 2.894 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1ccccc1 ZINC000660291150 431361767 /nfs/dbraw/zinc/36/17/67/431361767.db2.gz VLWGRKDKHFPANM-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000660291150 431361771 /nfs/dbraw/zinc/36/17/71/431361771.db2.gz VLWGRKDKHFPANM-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccccc1 ZINC000660291150 431361779 /nfs/dbraw/zinc/36/17/79/431361779.db2.gz VLWGRKDKHFPANM-RBUKOAKNSA-N 2 1 304.478 2.785 20 0 DFADMP Cn1c2ccc(C[NH2+]CC3([NH3+])CCCCCC3)cc2sc1=O ZINC000666808172 431365204 /nfs/dbraw/zinc/36/52/04/431365204.db2.gz MGVKMFJUYYBATH-UHFFFAOYSA-N 2 1 319.474 2.741 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCCC[NH+]1CCCC1)c1ccc(Cl)cc1 ZINC000653519255 431417244 /nfs/dbraw/zinc/41/72/44/431417244.db2.gz XGGQJZRHVCPMLY-MRXNPFEDSA-N 2 1 323.868 2.545 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]([NH3+])C2CC2)c(-c2cc3ccccc3o2)n1 ZINC000666834147 431375572 /nfs/dbraw/zinc/37/55/72/431375572.db2.gz IPJPEJCQSOIEDR-HNNXBMFYSA-N 2 1 310.401 2.660 20 0 DFADMP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663346185 431375761 /nfs/dbraw/zinc/37/57/61/431375761.db2.gz QGEQTMZZEDVUTQ-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)n2c1 ZINC000663345916 431378181 /nfs/dbraw/zinc/37/81/81/431378181.db2.gz OSHUOAVGXAMKBA-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1ccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)n2c1 ZINC000663345916 431378188 /nfs/dbraw/zinc/37/81/88/431378188.db2.gz OSHUOAVGXAMKBA-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP C[N@@H+](CCC1CCC1)C[C@@]1(O)CCN(Cc2ccccc2)C1 ZINC000660334525 431384801 /nfs/dbraw/zinc/38/48/01/431384801.db2.gz NHEVEFXXBOLHTF-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+](CCC1CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334525 431384808 /nfs/dbraw/zinc/38/48/08/431384808.db2.gz NHEVEFXXBOLHTF-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[N@@H+](CCC1CCC1)C[C@@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000660334525 431384814 /nfs/dbraw/zinc/38/48/14/431384814.db2.gz NHEVEFXXBOLHTF-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CCC1CCC1)C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000660334525 431384823 /nfs/dbraw/zinc/38/48/23/431384823.db2.gz NHEVEFXXBOLHTF-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](CCC1CCC1)C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000660334525 431384826 /nfs/dbraw/zinc/38/48/26/431384826.db2.gz NHEVEFXXBOLHTF-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@H](NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1)C(C)C ZINC000646754453 431386421 /nfs/dbraw/zinc/38/64/21/431386421.db2.gz LEAJDIFLOJUZEQ-SFHVURJKSA-N 2 1 323.525 2.734 20 0 DFADMP OC1(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)CC23CCC3)CCC1 ZINC000663368827 431389218 /nfs/dbraw/zinc/38/92/18/431389218.db2.gz OVYUXISNKKLEFQ-GOSISDBHSA-N 2 1 314.473 2.793 20 0 DFADMP c1n[nH]c2c1CCN(Cc1cccc(C[NH+]3CCCCC3)c1)C2 ZINC000663371555 431390129 /nfs/dbraw/zinc/39/01/29/431390129.db2.gz CMJNTMPLFSJLFV-UHFFFAOYSA-N 2 1 310.445 2.954 20 0 DFADMP CCC[C@H]([NH3+])c1cn(C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)nn1 ZINC000656469013 431397191 /nfs/dbraw/zinc/39/71/91/431397191.db2.gz YMMOTPFXSLXTMK-SJORKVTESA-N 2 1 313.449 2.600 20 0 DFADMP CN(Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015867 431402792 /nfs/dbraw/zinc/40/27/92/431402792.db2.gz RVIPCAMSDSCWHG-CEXWTWQISA-N 2 1 302.462 2.601 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015867 431402801 /nfs/dbraw/zinc/40/28/01/431402801.db2.gz RVIPCAMSDSCWHG-CEXWTWQISA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015867 431402805 /nfs/dbraw/zinc/40/28/05/431402805.db2.gz RVIPCAMSDSCWHG-CEXWTWQISA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015867 431402813 /nfs/dbraw/zinc/40/28/13/431402813.db2.gz RVIPCAMSDSCWHG-CEXWTWQISA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000650015867 431402815 /nfs/dbraw/zinc/40/28/15/431402815.db2.gz RVIPCAMSDSCWHG-CEXWTWQISA-N 2 1 302.462 2.601 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995389 431438474 /nfs/dbraw/zinc/43/84/74/431438474.db2.gz MRKKDIDIJBFNRC-NEWSRXKRSA-N 2 1 313.489 2.771 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666995389 431438481 /nfs/dbraw/zinc/43/84/81/431438481.db2.gz MRKKDIDIJBFNRC-NEWSRXKRSA-N 2 1 313.489 2.771 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996737 431438773 /nfs/dbraw/zinc/43/87/73/431438773.db2.gz CHFHYGXQZNKXLU-CYBMUJFWSA-N 2 1 314.458 2.969 20 0 DFADMP Brc1cncc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666995552 431438888 /nfs/dbraw/zinc/43/88/88/431438888.db2.gz RCSMKZSEXDYRFP-CYBMUJFWSA-N 2 1 310.239 2.608 20 0 DFADMP CN(Cc1ccccc1)[C@@H]1CC[N@@H+](CCCc2cncn2C)C1 ZINC000653566489 431439118 /nfs/dbraw/zinc/43/91/18/431439118.db2.gz VPVKKGDNDORNBD-LJQANCHMSA-N 2 1 312.461 2.559 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000653573732 431440577 /nfs/dbraw/zinc/44/05/77/431440577.db2.gz LGSMODJNISIBBL-IAGOWNOFSA-N 2 1 315.461 2.660 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000653573732 431440585 /nfs/dbraw/zinc/44/05/85/431440585.db2.gz LGSMODJNISIBBL-IAGOWNOFSA-N 2 1 315.461 2.660 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@@H](c2cc3ccccc3[nH]2)C1 ZINC000653573732 431440590 /nfs/dbraw/zinc/44/05/90/431440590.db2.gz LGSMODJNISIBBL-IAGOWNOFSA-N 2 1 315.461 2.660 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@@H+]1CCNC[C@H]1c1cccc(Cl)c1 ZINC000663493818 431442357 /nfs/dbraw/zinc/44/23/57/431442357.db2.gz KKPXUWQKYQVNFI-KMFMINBZSA-N 2 1 307.869 2.532 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@H+]1CCNC[C@H]1c1cccc(Cl)c1 ZINC000663493818 431442363 /nfs/dbraw/zinc/44/23/63/431442363.db2.gz KKPXUWQKYQVNFI-KMFMINBZSA-N 2 1 307.869 2.532 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C12CCCCC2 ZINC000305805392 279814761 /nfs/dbraw/zinc/81/47/61/279814761.db2.gz ZAOBUACOCKOZNU-QZTJIDSGSA-N 2 1 324.509 2.551 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000663503008 431447357 /nfs/dbraw/zinc/44/73/57/431447357.db2.gz LIFGQAZLTMGEEU-JKSUJKDBSA-N 2 1 306.450 2.784 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@H](CC(C)C)c1ccccc1OC ZINC000653606902 431456083 /nfs/dbraw/zinc/45/60/83/431456083.db2.gz KIDXYVKDVMSXID-NVXWUHKLSA-N 2 1 308.466 2.685 20 0 DFADMP CC(C)c1cnc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)s1 ZINC000667041725 431456597 /nfs/dbraw/zinc/45/65/97/431456597.db2.gz LMNPMZWMAKNZDZ-YOEHRIQHSA-N 2 1 323.506 2.985 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000653607167 431456948 /nfs/dbraw/zinc/45/69/48/431456948.db2.gz WRDXFIMNTMDFLM-RDJZCZTQSA-N 2 1 308.466 2.685 20 0 DFADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(OCC(C)C)cc1 ZINC000653607167 431456956 /nfs/dbraw/zinc/45/69/56/431456956.db2.gz WRDXFIMNTMDFLM-RDJZCZTQSA-N 2 1 308.466 2.685 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2[C@H](C)C[N@H+](C)[C@@H](C)[C@@H]2C)o1 ZINC000650150333 431458610 /nfs/dbraw/zinc/45/86/10/431458610.db2.gz SYMZSZWNUGAIJZ-ILXRZTDVSA-N 2 1 321.465 2.675 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663465979 431433114 /nfs/dbraw/zinc/43/31/14/431433114.db2.gz MMKMZCRNDAQIEQ-YJBOKZPZSA-N 2 1 317.477 2.733 20 0 DFADMP C(NC1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471825 431435016 /nfs/dbraw/zinc/43/50/16/431435016.db2.gz YOALCIJXCCKDLC-GOSISDBHSA-N 2 1 305.510 2.572 20 0 DFADMP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471825 431435024 /nfs/dbraw/zinc/43/50/24/431435024.db2.gz YOALCIJXCCKDLC-GOSISDBHSA-N 3 1 305.510 2.572 20 0 DFADMP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471825 431435028 /nfs/dbraw/zinc/43/50/28/431435028.db2.gz YOALCIJXCCKDLC-GOSISDBHSA-N 3 1 305.510 2.572 20 0 DFADMP Cc1cc(CO)cc(N2CCC(CCC[NH+]3CCCC3)CC2)[nH+]1 ZINC000663740762 431521142 /nfs/dbraw/zinc/52/11/42/431521142.db2.gz BBNYUHDAZJWVIV-UHFFFAOYSA-N 2 1 317.477 2.975 20 0 DFADMP COCc1cnc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)s1 ZINC000656783682 431521243 /nfs/dbraw/zinc/52/12/43/431521243.db2.gz UGGGSUHSFQLOJU-AWEZNQCLSA-N 2 1 309.479 2.501 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)OCCO2 ZINC000656786266 431522615 /nfs/dbraw/zinc/52/26/15/431522615.db2.gz RCPPWCITPISJGU-KRWDZBQOSA-N 2 1 316.445 2.669 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786228 431523171 /nfs/dbraw/zinc/52/31/71/431523171.db2.gz QDVHTIGHYVCACZ-KRWDZBQOSA-N 2 1 315.461 2.857 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785944 431523186 /nfs/dbraw/zinc/52/31/86/431523186.db2.gz NPTLXSOIMMLNBU-KRWDZBQOSA-N 2 1 318.461 2.915 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]C[C@@H]2CCSC2)cc1 ZINC000656790253 431525948 /nfs/dbraw/zinc/52/59/48/431525948.db2.gz MDDMRJBBCCAFKE-WBAXXEDZSA-N 2 1 320.502 2.874 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)C[N@H+]1C1CC1 ZINC000647248770 431527210 /nfs/dbraw/zinc/52/72/10/431527210.db2.gz BQRMRHRQAUTDKT-UIXUWTQFSA-N 2 1 313.489 2.547 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000647248770 431527217 /nfs/dbraw/zinc/52/72/17/431527217.db2.gz BQRMRHRQAUTDKT-UIXUWTQFSA-N 2 1 313.489 2.547 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C[NH+]1C1CC1 ZINC000647248770 431527227 /nfs/dbraw/zinc/52/72/27/431527227.db2.gz BQRMRHRQAUTDKT-UIXUWTQFSA-N 2 1 313.489 2.547 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1CCc1ccccc1 ZINC000656701535 431486040 /nfs/dbraw/zinc/48/60/40/431486040.db2.gz XCWPJXFHTGEXJX-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000656701535 431486044 /nfs/dbraw/zinc/48/60/44/431486044.db2.gz XCWPJXFHTGEXJX-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1CCc1ccccc1 ZINC000656701535 431486050 /nfs/dbraw/zinc/48/60/50/431486050.db2.gz XCWPJXFHTGEXJX-MOPGFXCFSA-N 2 1 304.478 2.785 20 0 DFADMP C[C@H]1COCC[N@H+]1C1CCN(CCc2c(F)cccc2F)CC1 ZINC000653690216 431490257 /nfs/dbraw/zinc/49/02/57/431490257.db2.gz DCXFDAYZKICPAD-AWEZNQCLSA-N 2 1 324.415 2.692 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000656714359 431491158 /nfs/dbraw/zinc/49/11/58/431491158.db2.gz HNUDTTIQXBXYQN-CVEARBPZSA-N 2 1 312.404 2.504 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CC[C@@]1(C)CC1(F)F ZINC000656714359 431491164 /nfs/dbraw/zinc/49/11/64/431491164.db2.gz HNUDTTIQXBXYQN-CVEARBPZSA-N 2 1 312.404 2.504 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)CO1 ZINC000647170340 431491673 /nfs/dbraw/zinc/49/16/73/431491673.db2.gz WNLFKPCVZGLKDU-OAFZBRQQSA-N 2 1 318.461 2.563 20 0 DFADMP CN1CCC[C@@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174606 431495181 /nfs/dbraw/zinc/49/51/81/431495181.db2.gz HCTSWBHDLXWWAI-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP CN1CCC[C@@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174606 431495186 /nfs/dbraw/zinc/49/51/86/431495186.db2.gz HCTSWBHDLXWWAI-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP C[N@@H+]1CCC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174606 431495189 /nfs/dbraw/zinc/49/51/89/431495189.db2.gz HCTSWBHDLXWWAI-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP C[N@H+]1CCC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174606 431495194 /nfs/dbraw/zinc/49/51/94/431495194.db2.gz HCTSWBHDLXWWAI-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174606 431495196 /nfs/dbraw/zinc/49/51/96/431495196.db2.gz HCTSWBHDLXWWAI-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174606 431495201 /nfs/dbraw/zinc/49/52/01/431495201.db2.gz HCTSWBHDLXWWAI-RBUKOAKNSA-N 2 1 313.489 2.867 20 0 DFADMP CN1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174607 431495277 /nfs/dbraw/zinc/49/52/77/431495277.db2.gz HCTSWBHDLXWWAI-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP CN1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174607 431495286 /nfs/dbraw/zinc/49/52/86/431495286.db2.gz HCTSWBHDLXWWAI-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP C[N@@H+]1CCC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174607 431495292 /nfs/dbraw/zinc/49/52/92/431495292.db2.gz HCTSWBHDLXWWAI-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP C[N@H+]1CCC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174607 431495298 /nfs/dbraw/zinc/49/52/98/431495298.db2.gz HCTSWBHDLXWWAI-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174607 431495303 /nfs/dbraw/zinc/49/53/03/431495303.db2.gz HCTSWBHDLXWWAI-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP C[NH+]1CCC[C@@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000647174607 431495311 /nfs/dbraw/zinc/49/53/11/431495311.db2.gz HCTSWBHDLXWWAI-RTBURBONSA-N 2 1 313.489 2.867 20 0 DFADMP OC[C@@H](CC1CC1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647196478 431505924 /nfs/dbraw/zinc/50/59/24/431505924.db2.gz AFKVAZQAYRLFBS-RBUKOAKNSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@@H](CC1CC1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000647196478 431505928 /nfs/dbraw/zinc/50/59/28/431505928.db2.gz AFKVAZQAYRLFBS-RBUKOAKNSA-N 2 1 314.473 2.934 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cn1 ZINC000647204098 431510521 /nfs/dbraw/zinc/51/05/21/431510521.db2.gz PNHSCXLXYLVHBW-MRXNPFEDSA-N 2 1 321.428 2.729 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344234 431558120 /nfs/dbraw/zinc/55/81/20/431558120.db2.gz MHFOWKJLGKPQSH-FQBWVUSXSA-N 2 1 314.473 2.735 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCOC1 ZINC000647343909 431558828 /nfs/dbraw/zinc/55/88/28/431558828.db2.gz FSKVJLJXCXNMGH-ZSYWTGECSA-N 2 1 302.462 2.737 20 0 DFADMP CC(C)[NH+]1CCC(NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000647343511 431559327 /nfs/dbraw/zinc/55/93/27/431559327.db2.gz TZCPSSPRUNKWFJ-QUCCMNQESA-N 2 1 315.505 2.794 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660657768 431538034 /nfs/dbraw/zinc/53/80/34/431538034.db2.gz AFOLUUOZUYICAN-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657768 431538040 /nfs/dbraw/zinc/53/80/40/431538040.db2.gz AFOLUUOZUYICAN-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660657768 431538047 /nfs/dbraw/zinc/53/80/47/431538047.db2.gz AFOLUUOZUYICAN-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCCN(c2cccc(F)c2F)CC1 ZINC000660665018 431540279 /nfs/dbraw/zinc/54/02/79/431540279.db2.gz LCEHPEHHRBAXCN-HNNXBMFYSA-N 2 1 323.431 2.961 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660665018 431540284 /nfs/dbraw/zinc/54/02/84/431540284.db2.gz LCEHPEHHRBAXCN-HNNXBMFYSA-N 2 1 323.431 2.961 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660665018 431540291 /nfs/dbraw/zinc/54/02/91/431540291.db2.gz LCEHPEHHRBAXCN-HNNXBMFYSA-N 2 1 323.431 2.961 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660665018 431540297 /nfs/dbraw/zinc/54/02/97/431540297.db2.gz LCEHPEHHRBAXCN-HNNXBMFYSA-N 2 1 323.431 2.961 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCCN(c2cccc(F)c2F)CC1 ZINC000660665018 431540302 /nfs/dbraw/zinc/54/03/02/431540302.db2.gz LCEHPEHHRBAXCN-HNNXBMFYSA-N 2 1 323.431 2.961 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647284726 431540510 /nfs/dbraw/zinc/54/05/10/431540510.db2.gz BNAHLEWQEGJJGX-SFHVURJKSA-N 2 1 305.466 2.869 20 0 DFADMP COc1ccc([C@@H](C)C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000660673688 431545750 /nfs/dbraw/zinc/54/57/50/431545750.db2.gz CHDCKDNCNBIFGO-INIZCTEOSA-N 2 1 320.477 2.624 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](C[C@H](C)c2ccccc2)CC1 ZINC000660694395 431553318 /nfs/dbraw/zinc/55/33/18/431553318.db2.gz CFVPSRBYCVFHAF-KRWDZBQOSA-N 2 1 304.478 2.863 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCF ZINC000375801036 288193438 /nfs/dbraw/zinc/19/34/38/288193438.db2.gz GWOUBVPTNNRWKF-FPSMNIFISA-N 2 1 312.473 2.994 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+][C@H]1CCC[C@H]1CCF ZINC000375801036 288193439 /nfs/dbraw/zinc/19/34/39/288193439.db2.gz GWOUBVPTNNRWKF-FPSMNIFISA-N 2 1 312.473 2.994 20 0 DFADMP CC(C)[C@H](CO)[N@@H+](CCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000359229588 280260700 /nfs/dbraw/zinc/26/07/00/280260700.db2.gz YEKSVRWLPDGWJE-IBGZPJMESA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482398 431601084 /nfs/dbraw/zinc/60/10/84/431601084.db2.gz BLJXWUHRBFIKMF-UHFFFAOYSA-N 2 1 302.466 2.643 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cn1 ZINC000647482398 431601091 /nfs/dbraw/zinc/60/10/91/431601091.db2.gz BLJXWUHRBFIKMF-UHFFFAOYSA-N 2 1 302.466 2.643 20 0 DFADMP Cc1cc(C(F)(F)F)cc(NC[C@@H]2CCC[N@H+]2CCCO)n1 ZINC000663953197 431604016 /nfs/dbraw/zinc/60/40/16/431604016.db2.gz YDXNUQFZIBLJTM-ZDUSSCGKSA-N 2 1 317.355 2.668 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705531 431653202 /nfs/dbraw/zinc/65/32/02/431653202.db2.gz KORYBVZDMRMLSA-SCTDSRPQSA-N 2 1 318.461 2.804 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)cc3F)C2)C1 ZINC000650705682 431653893 /nfs/dbraw/zinc/65/38/93/431653893.db2.gz QPWDKBOEFOXBEQ-UNEWFSDZSA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](Cc3cc(F)cc(F)c3)C2)C1 ZINC000650707400 431654463 /nfs/dbraw/zinc/65/44/63/431654463.db2.gz FEJZDPRBCLSXFG-IAOVAPTHSA-N 2 1 310.388 2.683 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c[nH]nc1-c1ccccc1F)C2 ZINC000650709250 431656923 /nfs/dbraw/zinc/65/69/23/431656923.db2.gz MONNQSDPLKPUEQ-KSSFIOAISA-N 2 1 314.408 2.777 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2cc(-n3ccnc3)cs2)[C@@H]1CC[NH3+] ZINC000650711111 431657383 /nfs/dbraw/zinc/65/73/83/431657383.db2.gz ITZVOTVNMQJBSG-XJKSGUPXSA-N 2 1 304.463 2.883 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)ccc1SC ZINC000650708978 431657692 /nfs/dbraw/zinc/65/76/92/431657692.db2.gz XPVIIPQATGSMBN-YOEHRIQHSA-N 2 1 306.475 2.978 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000650713437 431660722 /nfs/dbraw/zinc/66/07/22/431660722.db2.gz SLGJSAPPQBMTKF-WMZOPIPTSA-N 3 1 301.478 2.758 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2(C[NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000650713437 431660729 /nfs/dbraw/zinc/66/07/29/431660729.db2.gz SLGJSAPPQBMTKF-WMZOPIPTSA-N 3 1 301.478 2.758 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2ccccc2OCc2cccnc2)CC1 ZINC000647530805 431616502 /nfs/dbraw/zinc/61/65/02/431616502.db2.gz HGCBIUPZMOQLNJ-UHFFFAOYSA-N 2 1 311.429 2.974 20 0 DFADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000647545730 431624204 /nfs/dbraw/zinc/62/42/04/431624204.db2.gz JVLFVCOXNRGAIB-KGLIPLIRSA-N 2 1 305.491 2.843 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544258 431626273 /nfs/dbraw/zinc/62/62/73/431626273.db2.gz YTIQVGQECZVNPV-ROUUACIJSA-N 2 1 315.461 2.857 20 0 DFADMP [NH3+]Cc1ccc(C[NH2+]Cc2cnc([C@H]3CCCO3)s2)c(F)c1 ZINC000650717461 431661760 /nfs/dbraw/zinc/66/17/60/431661760.db2.gz BGDWPXGQBMJHRB-OAHLLOKOSA-N 2 1 321.421 2.882 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723234 431664256 /nfs/dbraw/zinc/66/42/56/431664256.db2.gz JXZLKMAQSRVQLS-RRFJBIMHSA-N 2 1 309.479 2.621 20 0 DFADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723336 431666247 /nfs/dbraw/zinc/66/62/47/431666247.db2.gz LUBUNKUCPJYZAG-BPLDGKMQSA-N 2 1 309.479 2.566 20 0 DFADMP COCc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650724138 431669171 /nfs/dbraw/zinc/66/91/71/431669171.db2.gz YQOOQCVMCPSADF-OTWHNJEPSA-N 2 1 318.461 2.694 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000657312919 431671417 /nfs/dbraw/zinc/67/14/17/431671417.db2.gz MDYFZFSNLGWGDD-QYZOEREBSA-N 2 1 316.445 2.571 20 0 DFADMP c1cc(O[C@@H]2CCOC2)ccc1C[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000657312919 431671422 /nfs/dbraw/zinc/67/14/22/431671422.db2.gz MDYFZFSNLGWGDD-QYZOEREBSA-N 2 1 316.445 2.571 20 0 DFADMP CC(C)n1ccnc1C[NH2+][C@@H](Cc1ccccc1)CN(C)C ZINC000657323405 431675760 /nfs/dbraw/zinc/67/57/60/431675760.db2.gz ALRMJPKYFUIMDP-KRWDZBQOSA-N 2 1 300.450 2.727 20 0 DFADMP C[C@H](Cc1ccccc1)N1CCC([NH2+]CCC2(C[NH3+])CC2)CC1 ZINC000650747704 431676938 /nfs/dbraw/zinc/67/69/38/431676938.db2.gz GACGQMQTPRPGAC-QGZVFWFLSA-N 2 1 315.505 2.801 20 0 DFADMP CCc1ccccc1NC(=O)C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000647872195 431713236 /nfs/dbraw/zinc/71/32/36/431713236.db2.gz DXZCYVVYTXJGSM-UHFFFAOYSA-N 2 1 317.477 2.899 20 0 DFADMP c1c2ccccc2oc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000647785505 431685337 /nfs/dbraw/zinc/68/53/37/431685337.db2.gz ALRNUIWDMQAMSS-BBWFWOEESA-N 2 1 300.402 2.680 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccnc(C(F)(F)F)c1 ZINC000664194789 431690540 /nfs/dbraw/zinc/69/05/40/431690540.db2.gz HPGFRSCNTUDBON-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP OCC[NH+]1CCC([NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657350122 431691972 /nfs/dbraw/zinc/69/19/72/431691972.db2.gz AZYAHKMWZZBSEO-UHFFFAOYSA-N 2 1 302.462 2.891 20 0 DFADMP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCC[NH3+])c1ccc2ccccc2c1 ZINC000647849107 431705589 /nfs/dbraw/zinc/70/55/89/431705589.db2.gz HTDNYCFTNKXAEO-HUUCEWRRSA-N 2 1 313.445 2.686 20 0 DFADMP C[C@@H](NC(=O)[C@@H](C)[N@@H+](C)CCC[NH3+])c1ccc2ccccc2c1 ZINC000647849107 431705594 /nfs/dbraw/zinc/70/55/94/431705594.db2.gz HTDNYCFTNKXAEO-HUUCEWRRSA-N 2 1 313.445 2.686 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903456 431724524 /nfs/dbraw/zinc/72/45/24/431724524.db2.gz JKHRMFNMONCGAT-ZWKOTPCHSA-N 2 1 321.509 2.537 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cc(F)ccc2OC(F)F)CC1 ZINC000657427074 431744541 /nfs/dbraw/zinc/74/45/41/431744541.db2.gz KYFQATMXYAUXDK-UHFFFAOYSA-N 2 1 300.324 2.779 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000647961592 431749666 /nfs/dbraw/zinc/74/96/66/431749666.db2.gz RVGVBNKLDQLIMZ-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1 ZINC000647961592 431749672 /nfs/dbraw/zinc/74/96/72/431749672.db2.gz RVGVBNKLDQLIMZ-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965077 431755261 /nfs/dbraw/zinc/75/52/61/431755261.db2.gz FVJISMNJBLTEAE-IAGOWNOFSA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965077 431755264 /nfs/dbraw/zinc/75/52/64/431755264.db2.gz FVJISMNJBLTEAE-IAGOWNOFSA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965077 431755269 /nfs/dbraw/zinc/75/52/69/431755269.db2.gz FVJISMNJBLTEAE-IAGOWNOFSA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@H](CSc2ccccc2)C1 ZINC000647965077 431755273 /nfs/dbraw/zinc/75/52/73/431755273.db2.gz FVJISMNJBLTEAE-IAGOWNOFSA-N 2 1 322.518 2.802 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964665 431755945 /nfs/dbraw/zinc/75/59/45/431755945.db2.gz SZYMETKXGBPZTG-SFHVURJKSA-N 2 1 308.441 2.739 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964665 431755955 /nfs/dbraw/zinc/75/59/55/431755955.db2.gz SZYMETKXGBPZTG-SFHVURJKSA-N 2 1 308.441 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964665 431755960 /nfs/dbraw/zinc/75/59/60/431755960.db2.gz SZYMETKXGBPZTG-SFHVURJKSA-N 2 1 308.441 2.739 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(F)cc1)CC1CC1 ZINC000647964665 431755967 /nfs/dbraw/zinc/75/59/67/431755967.db2.gz SZYMETKXGBPZTG-SFHVURJKSA-N 2 1 308.441 2.739 20 0 DFADMP O=C(C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975270 431761512 /nfs/dbraw/zinc/76/15/12/431761512.db2.gz TYYQAXMLQZJDPP-IRXDYDNUSA-N 2 1 321.509 2.537 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977759 431761624 /nfs/dbraw/zinc/76/16/24/431761624.db2.gz HEFMNTLQGVHNRJ-HZPDHXFCSA-N 2 1 318.465 2.939 20 0 DFADMP C(c1nc(C2CCCC2)no1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647977759 431761630 /nfs/dbraw/zinc/76/16/30/431761630.db2.gz HEFMNTLQGVHNRJ-HZPDHXFCSA-N 2 1 318.465 2.939 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)co1 ZINC000647977774 431761729 /nfs/dbraw/zinc/76/17/29/431761729.db2.gz HMLKRPKHDQWCAD-KGLIPLIRSA-N 2 1 316.405 2.541 20 0 DFADMP CCCCc1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647976885 431762516 /nfs/dbraw/zinc/76/25/16/431762516.db2.gz VSCOMDOLDAWVEC-LSDHHAIUSA-N 2 1 306.454 2.624 20 0 DFADMP c1cc(C[N@H+](C[C@H]2CC[NH2+]C2)C2CCCC2)cc2c1OCO2 ZINC000647872651 431714025 /nfs/dbraw/zinc/71/40/25/431714025.db2.gz NVMMDCDBZQUJPL-HNNXBMFYSA-N 2 1 302.418 2.769 20 0 DFADMP CCCCNC(=O)[C@H]1CC[C@H](C)[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647881626 431717251 /nfs/dbraw/zinc/71/72/51/431717251.db2.gz VRLAWSOZAWBMLD-WMZOPIPTSA-N 2 1 323.525 2.783 20 0 DFADMP C[N@@H+](CCCC1CC[NH2+]CC1)[C@H]1CCN(c2ccccc2)C1=O ZINC000647884471 431719489 /nfs/dbraw/zinc/71/94/89/431719489.db2.gz UJMKUYYNJMWYTB-SFHVURJKSA-N 2 1 315.461 2.504 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)NCC1CCCCC1 ZINC000647903454 431723357 /nfs/dbraw/zinc/72/33/57/431723357.db2.gz JKHRMFNMONCGAT-QZTJIDSGSA-N 2 1 321.509 2.537 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647904190 431723636 /nfs/dbraw/zinc/72/36/36/431723636.db2.gz YDXMAJYXNCZOCO-WMZOPIPTSA-N 2 1 301.434 2.609 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647904190 431723644 /nfs/dbraw/zinc/72/36/44/431723644.db2.gz YDXMAJYXNCZOCO-WMZOPIPTSA-N 2 1 301.434 2.609 20 0 DFADMP CC[N@@H+](CCCNCc1cnn2c1CCC2)C1CCCCC1 ZINC000657501259 431789363 /nfs/dbraw/zinc/78/93/63/431789363.db2.gz VDLQLELGTXCGGW-UHFFFAOYSA-N 2 1 304.482 2.964 20 0 DFADMP CC[N@H+](CCC[NH2+]Cc1cnn2c1CCC2)C1CCCCC1 ZINC000657501259 431789368 /nfs/dbraw/zinc/78/93/68/431789368.db2.gz VDLQLELGTXCGGW-UHFFFAOYSA-N 2 1 304.482 2.964 20 0 DFADMP CC[N@@H+](CCC[NH2+]Cc1cnn2c1CCC2)C1CCCCC1 ZINC000657501259 431789374 /nfs/dbraw/zinc/78/93/74/431789374.db2.gz VDLQLELGTXCGGW-UHFFFAOYSA-N 2 1 304.482 2.964 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000657509456 431792986 /nfs/dbraw/zinc/79/29/86/431792986.db2.gz GYJUTOYSFGKWRC-MLHJIOFPSA-N 2 1 318.465 2.510 20 0 DFADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CCN(C)C1 ZINC000648057485 431804393 /nfs/dbraw/zinc/80/43/93/431804393.db2.gz YGNVIMKSQNANQX-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP CCCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000648057485 431804397 /nfs/dbraw/zinc/80/43/97/431804397.db2.gz YGNVIMKSQNANQX-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP CCCN(Cc1ccc(OCC[NH+](C)C)cc1)[C@@H]1CC[N@@H+](C)C1 ZINC000648057485 431804398 /nfs/dbraw/zinc/80/43/98/431804398.db2.gz YGNVIMKSQNANQX-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071839 431808132 /nfs/dbraw/zinc/80/81/32/431808132.db2.gz WYTFAYABUDTOEX-GOEBONIOSA-N 2 1 304.434 2.700 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)o1 ZINC000648071839 431808138 /nfs/dbraw/zinc/80/81/38/431808138.db2.gz WYTFAYABUDTOEX-GOEBONIOSA-N 2 1 304.434 2.700 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000657561354 431811460 /nfs/dbraw/zinc/81/14/60/431811460.db2.gz FUQMRPJUZCVXSF-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH+](C(C)(C)C)C1 ZINC000657561354 431811463 /nfs/dbraw/zinc/81/14/63/431811463.db2.gz FUQMRPJUZCVXSF-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000657561354 431811465 /nfs/dbraw/zinc/81/14/65/431811465.db2.gz FUQMRPJUZCVXSF-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[N@H+](C(C)(C)C)C1 ZINC000657561354 431811467 /nfs/dbraw/zinc/81/14/67/431811467.db2.gz FUQMRPJUZCVXSF-QRQLOZEOSA-N 2 1 315.505 2.969 20 0 DFADMP CCC[C@H]1CN(C[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000647990903 431767364 /nfs/dbraw/zinc/76/73/64/431767364.db2.gz UDNGWFRFFJGLHN-OALUTQOASA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@H]1C1CCC1 ZINC000647997664 431769673 /nfs/dbraw/zinc/76/96/73/431769673.db2.gz XTVDOTMNHUWARW-FHWLQOOXSA-N 2 1 302.462 2.572 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1)C1CC1 ZINC000657486961 431778874 /nfs/dbraw/zinc/77/88/74/431778874.db2.gz DDDKPYXXPTZVEK-IBGZPJMESA-N 2 1 318.461 2.818 20 0 DFADMP CCc1ccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000657597550 431820578 /nfs/dbraw/zinc/82/05/78/431820578.db2.gz UPIOEQLYULEKFG-QGZVFWFLSA-N 2 1 314.429 2.698 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)C2 ZINC000282397547 281092009 /nfs/dbraw/zinc/09/20/09/281092009.db2.gz RLWPLWAPKIEHDT-APWZRJJASA-N 2 1 315.505 2.844 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+]([C@H](C)c3cnccn3)C1)CCCC2 ZINC000275308974 282021169 /nfs/dbraw/zinc/02/11/69/282021169.db2.gz NRSFOHBFNOMFQC-UKRRQHHQSA-N 2 1 311.433 2.868 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+]([C@H](C)c3cnccn3)C1)CCCC2 ZINC000275308974 282021170 /nfs/dbraw/zinc/02/11/70/282021170.db2.gz NRSFOHBFNOMFQC-UKRRQHHQSA-N 2 1 311.433 2.868 20 0 DFADMP Cc1cnn(CCCCC[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377640759 293000154 /nfs/dbraw/zinc/00/01/54/293000154.db2.gz ITURUJDCSRZJTA-KRWDZBQOSA-N 2 1 315.465 2.753 20 0 DFADMP Cc1cnn(CCCCC[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000377640759 293000157 /nfs/dbraw/zinc/00/01/57/293000157.db2.gz ITURUJDCSRZJTA-KRWDZBQOSA-N 2 1 315.465 2.753 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2c(C)cc(C)nc2C)C1 ZINC000436499941 297007081 /nfs/dbraw/zinc/00/70/81/297007081.db2.gz YFICQGFZIDHFNS-OAHLLOKOSA-N 2 1 304.438 2.812 20 0 DFADMP CCC[C@@H](C(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000437875489 297072776 /nfs/dbraw/zinc/07/27/76/297072776.db2.gz LRFCQPOSJMFRIT-SJORKVTESA-N 2 1 309.498 2.630 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1O ZINC000373789939 295121988 /nfs/dbraw/zinc/12/19/88/295121988.db2.gz YQUNOEPCGOSUNB-XIRDDKMYSA-N 2 1 318.461 2.938 20 0 DFADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154356764 295298013 /nfs/dbraw/zinc/29/80/13/295298013.db2.gz VWMZISHDFFAICG-IRXDYDNUSA-N 2 1 312.885 2.809 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2nnc(C)n2CCC)CC1 ZINC000154367655 295298658 /nfs/dbraw/zinc/29/86/58/295298658.db2.gz AXRUETJKMMNDER-UHFFFAOYSA-N 2 1 321.513 2.940 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2nnc(C)n2CCC)CC1 ZINC000154367655 295298659 /nfs/dbraw/zinc/29/86/59/295298659.db2.gz AXRUETJKMMNDER-UHFFFAOYSA-N 2 1 321.513 2.940 20 0 DFADMP CN1CCN(Cc2cnc3ccccn23)[C@H](c2ccccc2)C1 ZINC000155208317 295314898 /nfs/dbraw/zinc/31/48/98/295314898.db2.gz JDLZGSSHWGLFTA-SFHVURJKSA-N 2 1 306.413 2.823 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148682 295359338 /nfs/dbraw/zinc/35/93/38/295359338.db2.gz IKPUXRWCASOTPF-DLBZAZTESA-N 3 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000158148682 295359339 /nfs/dbraw/zinc/35/93/39/295359339.db2.gz IKPUXRWCASOTPF-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP CCC[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccccn1 ZINC000159012098 295370944 /nfs/dbraw/zinc/37/09/44/295370944.db2.gz RCTAJKDSCSQZPD-SFHVURJKSA-N 2 1 318.509 2.786 20 0 DFADMP Clc1ccc(Br)cc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398382450 295490203 /nfs/dbraw/zinc/49/02/03/295490203.db2.gz WDSAAAQVJXBBCZ-VIFPVBQESA-N 2 1 303.631 2.802 20 0 DFADMP CC1(C)CC(NC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC(C)(C)[NH2+]1 ZINC000440156089 297146037 /nfs/dbraw/zinc/14/60/37/297146037.db2.gz NWMVHVONQUZARV-MRXNPFEDSA-N 2 1 321.509 2.819 20 0 DFADMP CC[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000442751645 297204240 /nfs/dbraw/zinc/20/42/40/297204240.db2.gz CSWBHISURHVUPH-ZENOOKHLSA-N 2 1 323.868 2.576 20 0 DFADMP CC[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C)c1ccc(Cl)cc1 ZINC000442751645 297204241 /nfs/dbraw/zinc/20/42/41/297204241.db2.gz CSWBHISURHVUPH-ZENOOKHLSA-N 2 1 323.868 2.576 20 0 DFADMP COc1ccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@@H]3C)co2)cc1 ZINC000442758508 297204568 /nfs/dbraw/zinc/20/45/68/297204568.db2.gz IZIDWKCLWPCWFW-STQMWFEESA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@@H]3C)co2)cc1 ZINC000442758508 297204569 /nfs/dbraw/zinc/20/45/69/297204569.db2.gz IZIDWKCLWPCWFW-STQMWFEESA-N 2 1 301.390 2.519 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442774746 297205637 /nfs/dbraw/zinc/20/56/37/297205637.db2.gz AVCBFPMTANZETN-NUJGCVRESA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@H+]1C[C@@H](C[NH3+])C[C@H]1C)c1ccccc1 ZINC000442774746 297205638 /nfs/dbraw/zinc/20/56/38/297205638.db2.gz AVCBFPMTANZETN-NUJGCVRESA-N 2 1 317.477 2.559 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000442783131 297206015 /nfs/dbraw/zinc/20/60/15/297206015.db2.gz SLWYYCXYNAJVJF-HZPDHXFCSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CC(=O)Nc1ccccc1-c1ccccc1 ZINC000442783131 297206018 /nfs/dbraw/zinc/20/60/18/297206018.db2.gz SLWYYCXYNAJVJF-HZPDHXFCSA-N 2 1 323.440 2.961 20 0 DFADMP CCc1nc(C)c([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000442864371 297208522 /nfs/dbraw/zinc/20/85/22/297208522.db2.gz CUKFLVSRLZSNQC-ZDUSSCGKSA-N 2 1 324.538 2.691 20 0 DFADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1cccc(OC)c1 ZINC000442860743 297208533 /nfs/dbraw/zinc/20/85/33/297208533.db2.gz CNRAKPPXYOHFLW-GOSISDBHSA-N 2 1 319.493 2.762 20 0 DFADMP CCc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000442878682 297209047 /nfs/dbraw/zinc/20/90/47/297209047.db2.gz UJXDKPSLBYLIHG-CQSZACIVSA-N 2 1 309.523 2.987 20 0 DFADMP CC(C)(C)c1ccccc1NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443060340 297213987 /nfs/dbraw/zinc/21/39/87/297213987.db2.gz OUZGXZOMIPAYQW-OAHLLOKOSA-N 2 1 317.477 2.983 20 0 DFADMP Cc1ccccc1[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443059891 297214010 /nfs/dbraw/zinc/21/40/10/297214010.db2.gz NSKOZGIEXGMHPF-YESZJQIVSA-N 2 1 317.477 2.622 20 0 DFADMP CC(C)[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058437 297214015 /nfs/dbraw/zinc/21/40/15/297214015.db2.gz ADHLTNHNOOPUIS-APWZRJJASA-N 2 1 317.477 2.561 20 0 DFADMP CSc1cccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)c1 ZINC000443063100 297214374 /nfs/dbraw/zinc/21/43/74/297214374.db2.gz VVALHKWDBHDXMJ-KGLIPLIRSA-N 2 1 321.490 2.796 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CS[C@@H](C(C)(C)C)C2)CC1(C)C ZINC000443068375 297214871 /nfs/dbraw/zinc/21/48/71/297214871.db2.gz KNBBBOUUEPJPRL-LSDHHAIUSA-N 2 1 313.555 2.522 20 0 DFADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)c1C ZINC000443077421 297215180 /nfs/dbraw/zinc/21/51/80/297215180.db2.gz URNAIXPEPXSQCS-AWEZNQCLSA-N 2 1 309.479 2.673 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000447092129 297295235 /nfs/dbraw/zinc/29/52/35/297295235.db2.gz YCCDKLTUXUYZKB-ZIAGYGMSSA-N 2 1 323.506 2.802 20 0 DFADMP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000447092129 297295237 /nfs/dbraw/zinc/29/52/37/297295237.db2.gz YCCDKLTUXUYZKB-ZIAGYGMSSA-N 2 1 323.506 2.802 20 0 DFADMP C[C@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447536292 297307238 /nfs/dbraw/zinc/30/72/38/297307238.db2.gz MFRZZNZQDSDZRE-YRPNKDGESA-N 2 1 314.473 2.933 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)o1 ZINC000447562824 297308574 /nfs/dbraw/zinc/30/85/74/297308574.db2.gz NICTXPBXCFBPIB-OAHLLOKOSA-N 2 1 307.482 2.821 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)c(C)o1 ZINC000447572497 297308964 /nfs/dbraw/zinc/30/89/64/297308964.db2.gz CGMNZKIVDMMLFN-MORSLUCNSA-N 2 1 306.450 2.925 20 0 DFADMP OC[C@@H](CC(F)F)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603719 297310642 /nfs/dbraw/zinc/31/06/42/297310642.db2.gz YRQYULMNBZSUDN-VQHPVUNQSA-N 2 1 324.415 2.788 20 0 DFADMP CC[C@H](C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1)[NH+](CC)CC ZINC000448521101 297340808 /nfs/dbraw/zinc/34/08/08/297340808.db2.gz PVKWFECYARSMGL-JQHSSLGASA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3cccc4ccoc43)C2)CC1 ZINC000449023571 297392886 /nfs/dbraw/zinc/39/28/86/297392886.db2.gz SBOPYWQOQOOUFU-GOSISDBHSA-N 2 1 313.445 2.645 20 0 DFADMP Cc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1F ZINC000449044953 297396745 /nfs/dbraw/zinc/39/67/45/297396745.db2.gz GCFJWAKANXWANP-GVDBMIGSSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)c1F ZINC000449044953 297396747 /nfs/dbraw/zinc/39/67/47/297396747.db2.gz GCFJWAKANXWANP-GVDBMIGSSA-N 2 1 306.425 2.818 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453053758 298057734 /nfs/dbraw/zinc/05/77/34/298057734.db2.gz GRAQDHYUEMCKSR-XUVXKRRUSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453053758 298057735 /nfs/dbraw/zinc/05/77/35/298057735.db2.gz GRAQDHYUEMCKSR-XUVXKRRUSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453053758 298057736 /nfs/dbraw/zinc/05/77/36/298057736.db2.gz GRAQDHYUEMCKSR-XUVXKRRUSA-N 3 1 315.505 2.971 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)Cc2cnccn2)CC1 ZINC000453057979 298058158 /nfs/dbraw/zinc/05/81/58/298058158.db2.gz GHUXDUMLUNQHEC-KRWDZBQOSA-N 2 1 324.472 2.970 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453098885 298061631 /nfs/dbraw/zinc/06/16/31/298061631.db2.gz XJJXTUWKSXEQTA-LJQANCHMSA-N 2 1 307.526 2.963 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000453099388 298061848 /nfs/dbraw/zinc/06/18/48/298061848.db2.gz KSSDSGDKUAYKLQ-USXIJHARSA-N 2 1 310.869 2.563 20 0 DFADMP OCCCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453212327 298071216 /nfs/dbraw/zinc/07/12/16/298071216.db2.gz HVQXQWXZMNPDKU-QRVBRYPASA-N 2 1 302.462 2.792 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](c3cccnc3)C2)[C@H]2CCC[C@@H]21 ZINC000453339404 298084869 /nfs/dbraw/zinc/08/48/69/298084869.db2.gz LWYQMTUDPTYEGO-GFEQUFNTSA-N 2 1 315.461 2.764 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC(C)(C)C(C)(C)O)[C@@H](C)C1 ZINC000453381873 298088732 /nfs/dbraw/zinc/08/87/32/298088732.db2.gz XXTYZKMGGSTHDX-HOTGVXAUSA-N 2 1 314.514 2.510 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]C[C@]2(C)CCC(=O)N2)cc1 ZINC000453398314 298089809 /nfs/dbraw/zinc/08/98/09/298089809.db2.gz KMVJDNJVWXSCBD-UGSOOPFHSA-N 2 1 312.417 2.500 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000453402819 298090528 /nfs/dbraw/zinc/09/05/28/298090528.db2.gz NYACBIPLXRGVDE-PKOBYXMFSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cn1 ZINC000453402819 298090530 /nfs/dbraw/zinc/09/05/30/298090530.db2.gz NYACBIPLXRGVDE-PKOBYXMFSA-N 2 1 324.472 2.970 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000453625927 298106791 /nfs/dbraw/zinc/10/67/91/298106791.db2.gz FPXBIJQOPIUBCJ-IVDHNXQLSA-N 2 1 314.473 2.648 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000454356698 298160965 /nfs/dbraw/zinc/16/09/65/298160965.db2.gz NPVPOXKMANRYOG-QGZVFWFLSA-N 2 1 318.465 2.695 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455625378 298390814 /nfs/dbraw/zinc/39/08/14/298390814.db2.gz NLZRVVGJLQMVRD-CQSZACIVSA-N 2 1 317.437 2.885 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000455625378 298390819 /nfs/dbraw/zinc/39/08/19/298390819.db2.gz NLZRVVGJLQMVRD-CQSZACIVSA-N 2 1 317.437 2.885 20 0 DFADMP COC(=O)Nc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCCC[NH2+]2)cc1 ZINC000496217322 300031466 /nfs/dbraw/zinc/03/14/66/300031466.db2.gz JJYAQZOYPYBWDK-BBRMVZONSA-N 2 1 305.422 2.528 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496517522 300074413 /nfs/dbraw/zinc/07/44/13/300074413.db2.gz ZDAOWBIHVHZVLA-ZDUSSCGKSA-N 2 1 305.422 2.811 20 0 DFADMP C[C@@H](CCNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000496790980 300114780 /nfs/dbraw/zinc/11/47/80/300114780.db2.gz MPCWRBCXKGEPOC-ZDUSSCGKSA-N 2 1 311.470 2.506 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000497136236 300167229 /nfs/dbraw/zinc/16/72/29/300167229.db2.gz ZHPLWYVEOHIUHR-AWEZNQCLSA-N 2 1 313.486 2.611 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CC[N@@H+](CC)C[C@H]1C)NC(=O)OC(C)(C)C ZINC000497157760 300170498 /nfs/dbraw/zinc/17/04/98/300170498.db2.gz DNXRTLZBULUUBK-RBSFLKMASA-N 2 1 313.486 2.610 20 0 DFADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@@H+]1CCn1cc[nH+]c1C ZINC000499055046 300200425 /nfs/dbraw/zinc/20/04/25/300200425.db2.gz MIMCTDNHMLVINE-IRXDYDNUSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1C[C@H](C2CCCCC2)C[N@H+]1CCn1cc[nH+]c1C ZINC000499055046 300200428 /nfs/dbraw/zinc/20/04/28/300200428.db2.gz MIMCTDNHMLVINE-IRXDYDNUSA-N 2 1 319.449 2.635 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000507489789 300236466 /nfs/dbraw/zinc/23/64/66/300236466.db2.gz YFQSDNRHMQFEPK-IHPCNDPISA-N 2 1 316.489 2.956 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000507489792 300236519 /nfs/dbraw/zinc/23/65/19/300236519.db2.gz YFQSDNRHMQFEPK-YSIASYRMSA-N 2 1 316.489 2.956 20 0 DFADMP C[C@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000354849831 300240694 /nfs/dbraw/zinc/24/06/94/300240694.db2.gz MAQCTGBHWFYAID-WBVHZDCISA-N 2 1 317.477 2.526 20 0 DFADMP COCCC[N@@H+](C)CCNCc1[nH+]c(C(C)C)n2ccccc12 ZINC000514609571 300262151 /nfs/dbraw/zinc/26/21/51/300262151.db2.gz RBOVNIWTKKINNE-UHFFFAOYSA-N 2 1 318.465 2.516 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCC(=O)Nc1cccc2ccccc21 ZINC000514612102 300262680 /nfs/dbraw/zinc/26/26/80/300262680.db2.gz JTVWEUKZQYHQEW-GOEBONIOSA-N 2 1 311.429 2.980 20 0 DFADMP CCC[N@H+]1CC[C@@H](C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000514855818 300275651 /nfs/dbraw/zinc/27/56/51/300275651.db2.gz CHTOGIPJWNTRMP-AWEZNQCLSA-N 2 1 323.868 2.990 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CC1Cc2ccccc2C1 ZINC000515099663 300289941 /nfs/dbraw/zinc/28/99/41/300289941.db2.gz NROVFFAMHAFDPP-AABGKKOBSA-N 2 1 314.473 2.585 20 0 DFADMP C[C@H]([NH2+]C1CC1)C(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000515381460 300304024 /nfs/dbraw/zinc/30/40/24/300304024.db2.gz OFLSCEJJOOIQIZ-LBPRGKRZSA-N 2 1 322.478 2.598 20 0 DFADMP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccc2c(c1)OCCO2 ZINC000516300783 300338638 /nfs/dbraw/zinc/33/86/38/300338638.db2.gz IJHGGHMVNLOIAL-UHFFFAOYSA-N 2 1 324.424 2.736 20 0 DFADMP CC[N@@H+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)[C@@H](C)C1 ZINC000516478174 300344208 /nfs/dbraw/zinc/34/42/08/300344208.db2.gz HQHJXMSAQKKZGO-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP CC[N@H+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)[C@@H](C)C1 ZINC000516478174 300344212 /nfs/dbraw/zinc/34/42/12/300344212.db2.gz HQHJXMSAQKKZGO-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP Cc1cccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)n1 ZINC000519761739 300475608 /nfs/dbraw/zinc/47/56/08/300475608.db2.gz FNWDFGSQRCGJFV-HKUYNNGSSA-N 2 1 309.413 2.736 20 0 DFADMP c1ccc2c(C[NH2+]CCC[NH2+]Cc3cccnc3)ccnc2c1 ZINC000520998043 300514517 /nfs/dbraw/zinc/51/45/17/300514517.db2.gz HPRZBZPEJYMATI-UHFFFAOYSA-N 2 1 306.413 2.899 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530177518 301025628 /nfs/dbraw/zinc/02/56/28/301025628.db2.gz JMBKCUHGBWOSEN-ZBFHGGJFSA-N 2 1 301.434 2.586 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ncccc2Cl)C[C@H]1c1ccccc1 ZINC000530217911 301030401 /nfs/dbraw/zinc/03/04/01/301030401.db2.gz IYYMQVNXZPMVIH-CABCVRRESA-N 2 1 301.821 2.909 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ncccc2Cl)C[C@H]1c1ccccc1 ZINC000530217911 301030402 /nfs/dbraw/zinc/03/04/02/301030402.db2.gz IYYMQVNXZPMVIH-CABCVRRESA-N 2 1 301.821 2.909 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000530222987 301031532 /nfs/dbraw/zinc/03/15/32/301031532.db2.gz IYADKHUHSANPGP-MAUKXSAKSA-N 2 1 320.452 2.847 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)no1 ZINC000530239056 301033326 /nfs/dbraw/zinc/03/33/26/301033326.db2.gz CDJAEOPPBWOURV-MRXNPFEDSA-N 2 1 321.465 2.563 20 0 DFADMP Cc1ccc(-c2ccccc2CN2CC[NH+](C)CC2)cc1C[NH3+] ZINC000530247865 301033638 /nfs/dbraw/zinc/03/36/38/301033638.db2.gz CSNPCNWAUIOFGM-UHFFFAOYSA-N 2 1 309.457 2.868 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1CC[N@@H+]1C1CCCCC1 ZINC000530272197 301037599 /nfs/dbraw/zinc/03/75/99/301037599.db2.gz GKAIWHVDZGJSTO-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000530272197 301037602 /nfs/dbraw/zinc/03/76/02/301037602.db2.gz GKAIWHVDZGJSTO-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCc2c[nH+]cn2C)c1C ZINC000530460262 301049973 /nfs/dbraw/zinc/04/99/73/301049973.db2.gz DNAIRHZUYMBCNT-AWEZNQCLSA-N 2 1 314.433 2.586 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)O[C@H](C)C2 ZINC000530674272 301062974 /nfs/dbraw/zinc/06/29/74/301062974.db2.gz SCDNFKVNRMFFAC-KBRIMQKVSA-N 2 1 318.461 2.981 20 0 DFADMP CC[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1CC1 ZINC000531677102 301103630 /nfs/dbraw/zinc/10/36/30/301103630.db2.gz JRCYZMRHXCHOFO-JKSUJKDBSA-N 2 1 307.507 2.815 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531689440 301104085 /nfs/dbraw/zinc/10/40/85/301104085.db2.gz AXALDXQYWFKWIL-CQSZACIVSA-N 2 1 303.450 2.952 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531689440 301104087 /nfs/dbraw/zinc/10/40/87/301104087.db2.gz AXALDXQYWFKWIL-CQSZACIVSA-N 2 1 303.450 2.952 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531689439 301104338 /nfs/dbraw/zinc/10/43/38/301104338.db2.gz AXALDXQYWFKWIL-AWEZNQCLSA-N 2 1 303.450 2.952 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000531689439 301104340 /nfs/dbraw/zinc/10/43/40/301104340.db2.gz AXALDXQYWFKWIL-AWEZNQCLSA-N 2 1 303.450 2.952 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000531729111 301106425 /nfs/dbraw/zinc/10/64/25/301106425.db2.gz ZHSFCDCZWFZVCN-GOSISDBHSA-N 2 1 315.505 2.625 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000531980906 301123153 /nfs/dbraw/zinc/12/31/53/301123153.db2.gz GNFFXRRQTNDOKH-DVOMOZLQSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000531980906 301123156 /nfs/dbraw/zinc/12/31/56/301123156.db2.gz GNFFXRRQTNDOKH-DVOMOZLQSA-N 2 1 307.413 2.615 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000532505382 301156863 /nfs/dbraw/zinc/15/68/63/301156863.db2.gz DFFGKRUMMWLPIW-KGLIPLIRSA-N 2 1 301.434 2.564 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000533360042 301198177 /nfs/dbraw/zinc/19/81/77/301198177.db2.gz WEGXNRXLRAXBJT-ZFWWWQNUSA-N 2 1 319.449 2.646 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000533360042 301198180 /nfs/dbraw/zinc/19/81/80/301198180.db2.gz WEGXNRXLRAXBJT-ZFWWWQNUSA-N 2 1 319.449 2.646 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315754 301227572 /nfs/dbraw/zinc/22/75/72/301227572.db2.gz VEQNCOBPPAHTKY-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315754 301227573 /nfs/dbraw/zinc/22/75/73/301227573.db2.gz VEQNCOBPPAHTKY-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](CC(=O)OC(C)(C)C)C1 ZINC000534315754 301227575 /nfs/dbraw/zinc/22/75/75/301227575.db2.gz VEQNCOBPPAHTKY-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000534955170 301239990 /nfs/dbraw/zinc/23/99/90/301239990.db2.gz FFBAZDJJIDZAPO-ZDUSSCGKSA-N 2 1 305.344 2.625 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H](OCC(F)(F)F)C1 ZINC000534955170 301239993 /nfs/dbraw/zinc/23/99/93/301239993.db2.gz FFBAZDJJIDZAPO-ZDUSSCGKSA-N 2 1 305.344 2.625 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000535087293 301248620 /nfs/dbraw/zinc/24/86/20/301248620.db2.gz JMHBHSGDNBIYNT-MSOLQXFVSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H]1C[NH+](CCOC2CC[NH+](C3CCCC3)CC2)C[C@H](C)O1 ZINC000536934163 301293047 /nfs/dbraw/zinc/29/30/47/301293047.db2.gz BVHVNRQSACHDCS-HOTGVXAUSA-N 2 1 310.482 2.519 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000537942571 301314300 /nfs/dbraw/zinc/31/43/00/301314300.db2.gz HTPGVNANJLUBFB-SHARSMKWSA-N 2 1 322.415 2.932 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C1CCC(O)(C(F)(F)F)CC1 ZINC000537942571 301314302 /nfs/dbraw/zinc/31/43/02/301314302.db2.gz HTPGVNANJLUBFB-SHARSMKWSA-N 2 1 322.415 2.932 20 0 DFADMP COCC1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CC1 ZINC000538552296 301323532 /nfs/dbraw/zinc/32/35/32/301323532.db2.gz VTGBOALJRREOMX-UHFFFAOYSA-N 2 1 306.425 2.601 20 0 DFADMP CC[N@@H+](CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1)CC(C)C ZINC000540237356 301360482 /nfs/dbraw/zinc/36/04/82/301360482.db2.gz UERCYJYAWSIXSM-SFHVURJKSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1)CC(C)C ZINC000540237356 301360485 /nfs/dbraw/zinc/36/04/85/301360485.db2.gz UERCYJYAWSIXSM-SFHVURJKSA-N 2 1 323.525 2.545 20 0 DFADMP CC[NH+](CCC1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1)CC(C)C ZINC000540237356 301360486 /nfs/dbraw/zinc/36/04/86/301360486.db2.gz UERCYJYAWSIXSM-SFHVURJKSA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCC[C@H]3C[C@H]32)c2cccs2)CC1 ZINC000548884460 301621156 /nfs/dbraw/zinc/62/11/56/301621156.db2.gz ILHYNBSNDRUUTN-YVSFHVDLSA-N 2 1 319.518 2.815 20 0 DFADMP CC(C)c1cc(N2CC[C@H](C[NH+]3CCCC3)C2)nc(N(C)C)[nH+]1 ZINC000549526795 301637067 /nfs/dbraw/zinc/63/70/67/301637067.db2.gz VTJPSIFITQAMOS-OAHLLOKOSA-N 2 1 317.481 2.588 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cn1cccn1 ZINC000558715925 301857869 /nfs/dbraw/zinc/85/78/69/301857869.db2.gz XMVQYTOVVDKRNF-QGZVFWFLSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H](CCc1ccccc1)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000562902553 302011659 /nfs/dbraw/zinc/01/16/59/302011659.db2.gz YLYXIDKBBUFSGP-IBGZPJMESA-N 2 1 317.521 2.825 20 0 DFADMP C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)c1c[nH+]ccc1N ZINC000562956729 302017450 /nfs/dbraw/zinc/01/74/50/302017450.db2.gz YIRSWSZDVPCJAH-ICXUMSERSA-N 2 1 311.429 2.701 20 0 DFADMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccs1 ZINC000562980818 302020833 /nfs/dbraw/zinc/02/08/33/302020833.db2.gz NBSBAHFISHECNV-GFCCVEGCSA-N 2 1 305.451 2.574 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ncc(C)cc2C)C1 ZINC000563042792 302030242 /nfs/dbraw/zinc/03/02/42/302030242.db2.gz ARHBXVNHZOSRQU-GOSISDBHSA-N 2 1 319.493 2.674 20 0 DFADMP CC(C)c1[nH+]c(CN(C)C[C@@H]2CC[N@H+](C)C2)c2ccccn21 ZINC000563254383 302055176 /nfs/dbraw/zinc/05/51/76/302055176.db2.gz CAKAGCZHOXMAJF-OAHLLOKOSA-N 2 1 300.450 2.841 20 0 DFADMP CC(C)c1[nH+]c(CN(C)C[C@@H]2CC[N@@H+](C)C2)c2ccccn21 ZINC000563254383 302055179 /nfs/dbraw/zinc/05/51/79/302055179.db2.gz CAKAGCZHOXMAJF-OAHLLOKOSA-N 2 1 300.450 2.841 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@H]2C)cc1 ZINC000563349377 302064684 /nfs/dbraw/zinc/06/46/84/302064684.db2.gz HQFCSDJEKDSRML-QAPCUYQASA-N 2 1 317.477 2.870 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(OCc2ccccn2)c1 ZINC000563351408 302064769 /nfs/dbraw/zinc/06/47/69/302064769.db2.gz YZQYRBPCIIFDJV-DOTOQJQBSA-N 2 1 311.429 2.972 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCCc3cncn3C)C2)CC1 ZINC000563355944 302066182 /nfs/dbraw/zinc/06/61/82/302066182.db2.gz OKAVBIVOMVTSAY-SFHVURJKSA-N 2 1 318.509 2.797 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000563366898 302066961 /nfs/dbraw/zinc/06/69/61/302066961.db2.gz KFQHIGZGLSUQFI-KRWDZBQOSA-N 2 1 312.461 2.559 20 0 DFADMP Cc1ncncc1[C@@H](C)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000563418346 302069902 /nfs/dbraw/zinc/06/99/02/302069902.db2.gz OISCDQLMRKTGAL-CQSZACIVSA-N 2 1 314.433 2.576 20 0 DFADMP CC(C)(C)[N@H+]1CCCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000563507032 302078266 /nfs/dbraw/zinc/07/82/66/302078266.db2.gz BLCGJNRHJQYMQD-UHFFFAOYSA-N 2 1 316.449 2.628 20 0 DFADMP C[C@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(-n2ccnc2)c1 ZINC000564219752 302124090 /nfs/dbraw/zinc/12/40/90/302124090.db2.gz BWIURSPPMIYWJJ-HNNXBMFYSA-N 2 1 309.417 2.889 20 0 DFADMP COCC[NH2+]C1CC[NH+]([C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000564733397 302154887 /nfs/dbraw/zinc/15/48/87/302154887.db2.gz QOZWHFWILMDMCF-GOSISDBHSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000564845971 302163490 /nfs/dbraw/zinc/16/34/90/302163490.db2.gz YAQWLAREBHYPLC-MSOLQXFVSA-N 2 1 320.477 2.671 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564850276 302164158 /nfs/dbraw/zinc/16/41/58/302164158.db2.gz RUSAMNFJPDSPCM-MOPGFXCFSA-N 2 1 304.478 2.548 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](CN(C)Cc3cc[nH]n3)C2)s1 ZINC000565046740 302188787 /nfs/dbraw/zinc/18/87/87/302188787.db2.gz BECWILUXGUIVBK-CQSZACIVSA-N 2 1 304.463 2.734 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[C@@H]3CC[N@@H+](C)C[C@H]32)c2ccccn21 ZINC000565083370 302192843 /nfs/dbraw/zinc/19/28/43/302192843.db2.gz NGZHZAWMFHAUGU-MAUKXSAKSA-N 2 1 312.461 2.984 20 0 DFADMP CCC[C@H](CC)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000565178638 302202392 /nfs/dbraw/zinc/20/23/92/302202392.db2.gz TXOAIOBAGHOKRN-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657168 302235733 /nfs/dbraw/zinc/23/57/33/302235733.db2.gz BRMMVCFMYOXMTD-IBGZPJMESA-N 2 1 301.478 2.639 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657168 302235735 /nfs/dbraw/zinc/23/57/35/302235735.db2.gz BRMMVCFMYOXMTD-IBGZPJMESA-N 3 1 301.478 2.639 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657168 302235738 /nfs/dbraw/zinc/23/57/38/302235738.db2.gz BRMMVCFMYOXMTD-IBGZPJMESA-N 3 1 301.478 2.639 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657168 302235741 /nfs/dbraw/zinc/23/57/41/302235741.db2.gz BRMMVCFMYOXMTD-IBGZPJMESA-N 3 1 301.478 2.639 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000565657168 302235745 /nfs/dbraw/zinc/23/57/45/302235745.db2.gz BRMMVCFMYOXMTD-IBGZPJMESA-N 3 1 301.478 2.639 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](C[NH2+]C[C@@H](O)[C@@H](C)c2ccccc2)C1 ZINC000565887590 302247083 /nfs/dbraw/zinc/24/70/83/302247083.db2.gz WQCZLTBAUMROQB-YQVWRLOYSA-N 2 1 304.478 2.719 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)cn1 ZINC000566091071 302258749 /nfs/dbraw/zinc/25/87/49/302258749.db2.gz ZRYXJCWDEUBZDP-WBVHZDCISA-N 2 1 321.465 2.507 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000566114536 302260446 /nfs/dbraw/zinc/26/04/46/302260446.db2.gz IZPINZIHWADANS-PMACEKPBSA-N 2 1 318.505 2.938 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000566412604 302284846 /nfs/dbraw/zinc/28/48/46/302284846.db2.gz XVQABMNMIKLCEM-DGCLKSJQSA-N 2 1 302.340 2.939 20 0 DFADMP Oc1cccnc1C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000566535142 302293190 /nfs/dbraw/zinc/29/31/90/302293190.db2.gz VICQCUXWUWFCDX-QZTJIDSGSA-N 2 1 323.440 2.741 20 0 DFADMP Oc1cccnc1C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000566535142 302293192 /nfs/dbraw/zinc/29/31/92/302293192.db2.gz VICQCUXWUWFCDX-QZTJIDSGSA-N 2 1 323.440 2.741 20 0 DFADMP Oc1cccnc1C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000566535142 302293194 /nfs/dbraw/zinc/29/31/94/302293194.db2.gz VICQCUXWUWFCDX-QZTJIDSGSA-N 2 1 323.440 2.741 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000566619479 302299500 /nfs/dbraw/zinc/29/95/00/302299500.db2.gz KKDITMSGZVZDSJ-MSOLQXFVSA-N 2 1 300.446 2.544 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000566619479 302299501 /nfs/dbraw/zinc/29/95/01/302299501.db2.gz KKDITMSGZVZDSJ-MSOLQXFVSA-N 2 1 300.446 2.544 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCC(C)(C)C1)[C@H](c1ccccc1)[NH+](C)C ZINC000566866396 302318590 /nfs/dbraw/zinc/31/85/90/302318590.db2.gz SHXSHVDUDIRSMX-CRAIPNDOSA-N 2 1 317.477 2.526 20 0 DFADMP Cc1cc(NC(=O)NCC2([NH3+])CCCCCC2)cn2cc[nH+]c12 ZINC000566962156 302325440 /nfs/dbraw/zinc/32/54/40/302325440.db2.gz ZFFDSENTMDXBPQ-UHFFFAOYSA-N 2 1 315.421 2.816 20 0 DFADMP O=C(Nc1ccccc1)[C@H](Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000567041615 302330865 /nfs/dbraw/zinc/33/08/65/302330865.db2.gz YRXUVQFHBZBKGA-IBGZPJMESA-N 2 1 323.440 2.578 20 0 DFADMP COc1cc(F)c(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000567358396 302353555 /nfs/dbraw/zinc/35/35/55/302353555.db2.gz OKIQFPJTNZVGCU-ZDUSSCGKSA-N 2 1 310.413 2.617 20 0 DFADMP CCC[C@H]1CCCC[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000567501962 302364659 /nfs/dbraw/zinc/36/46/59/302364659.db2.gz PTJVCKJFJJQAHK-WMZOPIPTSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)[NH2+]CCCN[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567723916 302384480 /nfs/dbraw/zinc/38/44/80/302384480.db2.gz BHFYQLBGNXNHNO-HKUYNNGSSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000567723916 302384482 /nfs/dbraw/zinc/38/44/82/302384482.db2.gz BHFYQLBGNXNHNO-HKUYNNGSSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000567723916 302384484 /nfs/dbraw/zinc/38/44/84/302384484.db2.gz BHFYQLBGNXNHNO-HKUYNNGSSA-N 3 1 303.494 2.875 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000568619775 302464173 /nfs/dbraw/zinc/46/41/73/302464173.db2.gz IGPHMVMHLQRCHZ-YJBOKZPZSA-N 2 1 301.434 2.726 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000570333319 302568331 /nfs/dbraw/zinc/56/83/31/302568331.db2.gz ZYXTUTDOUHZQKB-AWEZNQCLSA-N 2 1 322.412 2.792 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN(C(=O)Nc2cc(C)c3[nH+]ccn3c2)C1 ZINC000571398244 302616142 /nfs/dbraw/zinc/61/61/42/302616142.db2.gz KEVLHHTVZGJUAW-OAHLLOKOSA-N 2 1 315.421 2.591 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000181450271 316059668 /nfs/dbraw/zinc/05/96/68/316059668.db2.gz LMYFUHGECCZDGI-WBVHZDCISA-N 2 1 315.461 2.948 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+]1C)c1cccc(N2CCCC2=O)c1 ZINC000181450271 316059672 /nfs/dbraw/zinc/05/96/72/316059672.db2.gz LMYFUHGECCZDGI-WBVHZDCISA-N 2 1 315.461 2.948 20 0 DFADMP CCCCO[C@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000181751931 316071505 /nfs/dbraw/zinc/07/15/05/316071505.db2.gz YWAQUGKTHICSKR-CVEARBPZSA-N 2 1 312.498 2.671 20 0 DFADMP COC[C@@H]([NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000187722251 316212895 /nfs/dbraw/zinc/21/28/95/316212895.db2.gz PDANEQIVQZVQCX-GOSISDBHSA-N 2 1 312.498 2.672 20 0 DFADMP COc1cc(C[N@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000318391890 316249171 /nfs/dbraw/zinc/24/91/71/316249171.db2.gz HUBDNEFDYBDLFB-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP COc1cc(C[N@@H+](C)C[C@@H]2CCC[NH2+]C2)ccc1OC(F)F ZINC000318391890 316249174 /nfs/dbraw/zinc/24/91/74/316249174.db2.gz HUBDNEFDYBDLFB-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000318833431 316249963 /nfs/dbraw/zinc/24/99/63/316249963.db2.gz XYWWUFMNUPYQFF-KRWDZBQOSA-N 2 1 301.478 2.975 20 0 DFADMP C[N@@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@H]1CCCC[C@H]1O ZINC000328366772 316263588 /nfs/dbraw/zinc/26/35/88/316263588.db2.gz RFYSSUYOQHNNIB-XUVXKRRUSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@H]1CCCC[C@H]1O ZINC000328366772 316263592 /nfs/dbraw/zinc/26/35/92/316263592.db2.gz RFYSSUYOQHNNIB-XUVXKRRUSA-N 2 1 316.489 2.991 20 0 DFADMP C[NH+](C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@H]1CCCC[C@H]1O ZINC000328366772 316263596 /nfs/dbraw/zinc/26/35/96/316263596.db2.gz RFYSSUYOQHNNIB-XUVXKRRUSA-N 2 1 316.489 2.991 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000337608529 316301890 /nfs/dbraw/zinc/30/18/90/316301890.db2.gz WOKQWIWDFMMSKY-KKXDTOCCSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000337608529 316301894 /nfs/dbraw/zinc/30/18/94/316301894.db2.gz WOKQWIWDFMMSKY-KKXDTOCCSA-N 2 1 301.434 2.922 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000337596154 316302032 /nfs/dbraw/zinc/30/20/32/316302032.db2.gz OXYJZZPNUKFSAW-ZNMIVQPWSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000337596154 316302035 /nfs/dbraw/zinc/30/20/35/316302035.db2.gz OXYJZZPNUKFSAW-ZNMIVQPWSA-N 2 1 304.434 2.981 20 0 DFADMP C[N@H+]1CC[C@@H](c2nc(-c3ccccc3C[NH+]3CCCC3)no2)C1 ZINC000349925230 316370972 /nfs/dbraw/zinc/37/09/72/316370972.db2.gz CACNRGSPQBEUSO-OAHLLOKOSA-N 2 1 312.417 2.752 20 0 DFADMP Cc1[nH+]c(CNC2CC[NH+](C(C)(C)C)CC2)c2n1CCCC2 ZINC000360053178 316575219 /nfs/dbraw/zinc/57/52/19/316575219.db2.gz CMWUWOQYDDVDAM-UHFFFAOYSA-N 2 1 304.482 2.880 20 0 DFADMP COC(=O)c1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)oc1C ZINC000414802548 316663544 /nfs/dbraw/zinc/66/35/44/316663544.db2.gz BWBCPKLZMLSMNF-LLVKDONJSA-N 2 1 302.374 2.684 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+][C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000449386311 317035509 /nfs/dbraw/zinc/03/55/09/317035509.db2.gz SXUXZZXXACUHJY-SJORKVTESA-N 2 1 311.514 2.734 20 0 DFADMP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000449639013 317046051 /nfs/dbraw/zinc/04/60/51/317046051.db2.gz NLJXPSAQUVTIMM-RBUKOAKNSA-N 2 1 322.468 2.972 20 0 DFADMP CCc1cc(N2C[C@@H]3[C@H](C2)OCC[N@H+]3Cc2ccccc2)cc[nH+]1 ZINC000450497840 317098847 /nfs/dbraw/zinc/09/88/47/317098847.db2.gz GTDNITNCOJNISV-UXHICEINSA-N 2 1 323.440 2.734 20 0 DFADMP COC1([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)CCOCC1 ZINC000453062808 317157687 /nfs/dbraw/zinc/15/76/87/317157687.db2.gz QQPSYQFXWYFQFN-DLBZAZTESA-N 2 1 312.498 2.672 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@](C)(CC)OC)[C@H](C)C1 ZINC000453290003 317176937 /nfs/dbraw/zinc/17/69/37/317176937.db2.gz ABUCZYRDZOCVHL-IXDOHACOSA-N 2 1 300.487 2.528 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1ccc(Br)cn1)C1CC1 ZINC000453595020 317192641 /nfs/dbraw/zinc/19/26/41/317192641.db2.gz JRKIFKXDQVJLPW-UHFFFAOYSA-N 2 1 312.255 2.808 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc2c(c1)OCO2 ZINC000459380288 317323994 /nfs/dbraw/zinc/32/39/94/317323994.db2.gz BBXHIYFDYRNNID-UHFFFAOYSA-N 2 1 316.445 2.909 20 0 DFADMP CC(C)[C@@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000488038840 317362457 /nfs/dbraw/zinc/36/24/57/317362457.db2.gz BEASAGWALMTWEO-SFHVURJKSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)[C@@H]1CN(CC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000488038840 317362462 /nfs/dbraw/zinc/36/24/62/317362462.db2.gz BEASAGWALMTWEO-SFHVURJKSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)[C@@H]1CN(CC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000488038840 317362464 /nfs/dbraw/zinc/36/24/64/317362464.db2.gz BEASAGWALMTWEO-SFHVURJKSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CS[C@@H](C(C)C)C2)CC1 ZINC000488418660 317391687 /nfs/dbraw/zinc/39/16/87/317391687.db2.gz NSWSTILMHJBQLR-DLBZAZTESA-N 2 1 314.539 2.996 20 0 DFADMP C[C@H](C[C@H](C)NC(=O)OC(C)(C)C)[NH2+]C[C@H](C1CC1)[NH+](C)C ZINC000494473659 317654811 /nfs/dbraw/zinc/65/48/11/317654811.db2.gz VRUBPGLOQHRCFV-VNHYZAJKSA-N 2 1 313.486 2.608 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CC[NH2+]C12CCC2 ZINC000530179648 317773691 /nfs/dbraw/zinc/77/36/91/317773691.db2.gz ZONMHMCCXYOVDH-YOEHRIQHSA-N 2 1 315.461 2.840 20 0 DFADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H]1CC[NH2+]C12CCC2 ZINC000530179645 317773721 /nfs/dbraw/zinc/77/37/21/317773721.db2.gz ZONMHMCCXYOVDH-RHSMWYFYSA-N 2 1 315.461 2.840 20 0 DFADMP CC[C@@H]1CC[C@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000562019436 317900880 /nfs/dbraw/zinc/90/08/80/317900880.db2.gz LYJLAPCPVGDFOT-BZUAXINKSA-N 2 1 307.507 2.815 20 0 DFADMP Cc1ccc(CCC[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000573016101 318011242 /nfs/dbraw/zinc/01/12/42/318011242.db2.gz HPNDAYVJOODMSG-UHFFFAOYSA-N 2 1 304.478 2.753 20 0 DFADMP CC[NH2+]CCCN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000574629755 318028917 /nfs/dbraw/zinc/02/89/17/318028917.db2.gz QZNMPCJDMIAVMY-VAMGGRTRSA-N 3 1 315.505 2.876 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000574629755 318028919 /nfs/dbraw/zinc/02/89/19/318028919.db2.gz QZNMPCJDMIAVMY-VAMGGRTRSA-N 3 1 315.505 2.876 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000574629755 318028922 /nfs/dbraw/zinc/02/89/22/318028922.db2.gz QZNMPCJDMIAVMY-VAMGGRTRSA-N 3 1 315.505 2.876 20 0 DFADMP c1ccc2c(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)ccnc2c1 ZINC000574663500 318032410 /nfs/dbraw/zinc/03/24/10/318032410.db2.gz RYZYSTHSXCDKRR-UHFFFAOYSA-N 2 1 324.472 2.541 20 0 DFADMP C[C@@H]([NH2+]C[C@H](c1ccccc1Cl)N1CCCC1)C1C[NH2+]C1 ZINC000574748888 318037702 /nfs/dbraw/zinc/03/77/02/318037702.db2.gz PWVSMDRKWYIDAA-CXAGYDPISA-N 2 1 307.869 2.674 20 0 DFADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000574778119 318040341 /nfs/dbraw/zinc/04/03/41/318040341.db2.gz NGTKEAPZFKASNN-OTWHNJEPSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@@H]1CC[C@H]1[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000574778119 318040343 /nfs/dbraw/zinc/04/03/43/318040343.db2.gz NGTKEAPZFKASNN-OTWHNJEPSA-N 2 1 302.462 2.648 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1F ZINC000575059146 318060076 /nfs/dbraw/zinc/06/00/76/318060076.db2.gz HWVKVNPNJILHJN-CWRNSKLLSA-N 2 1 306.425 2.554 20 0 DFADMP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccn(C)n1 ZINC000575218478 318070532 /nfs/dbraw/zinc/07/05/32/318070532.db2.gz AWUKRMRRMBYITF-KRWDZBQOSA-N 2 1 316.449 2.601 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[NH2+]C(C)C)cc1NC(C)=O ZINC000576506794 318130638 /nfs/dbraw/zinc/13/06/38/318130638.db2.gz JBNMWPGJEMAQEY-CYBMUJFWSA-N 2 1 307.438 2.692 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@H](n2cncn2)C1 ZINC000576576343 318135376 /nfs/dbraw/zinc/13/53/76/318135376.db2.gz YBTIMTQXBXBVFX-BPQIPLTHSA-N 2 1 319.497 2.910 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000576698429 318144064 /nfs/dbraw/zinc/14/40/64/318144064.db2.gz XKDXMSQIHQKWIO-MNZLEMJZSA-N 2 1 302.462 2.980 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCc3ccccc3C2)C[C@H](C)O1 ZINC000576698429 318144066 /nfs/dbraw/zinc/14/40/66/318144066.db2.gz XKDXMSQIHQKWIO-MNZLEMJZSA-N 2 1 302.462 2.980 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)CN1CC2(CCC2)[C@@H]1c1ccccc1 ZINC000577232149 318180269 /nfs/dbraw/zinc/18/02/69/318180269.db2.gz XGWHVDKFJYOYIU-MSOLQXFVSA-N 2 1 302.462 2.915 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000577364546 318188072 /nfs/dbraw/zinc/18/80/72/318188072.db2.gz JJMVQMJVUOFRMD-KRWDZBQOSA-N 2 1 316.449 2.676 20 0 DFADMP COCC[C@H]1CCCC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000577499211 318197557 /nfs/dbraw/zinc/19/75/57/318197557.db2.gz PQKQEPKYBODUFQ-MRXNPFEDSA-N 2 1 302.462 2.971 20 0 DFADMP C[C@@H](CCO)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577848842 318221406 /nfs/dbraw/zinc/22/14/06/318221406.db2.gz ITUHUPKVAYHYKG-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000577848842 318221409 /nfs/dbraw/zinc/22/14/09/318221409.db2.gz ITUHUPKVAYHYKG-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000578232248 318246954 /nfs/dbraw/zinc/24/69/54/318246954.db2.gz MVSHZASUQCKIRB-HKUYNNGSSA-N 2 1 322.468 2.687 20 0 DFADMP CN(C(=O)[C@H](c1cccc(Cl)c1)[NH+](C)C)[C@@H]1CCC[NH2+]CC1 ZINC000578536599 318268455 /nfs/dbraw/zinc/26/84/55/318268455.db2.gz JGHWDFUJTIVUBE-CVEARBPZSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000579369938 318326669 /nfs/dbraw/zinc/32/66/69/318326669.db2.gz SCUOSUHMQFKRAK-DGCLKSJQSA-N 2 1 302.340 2.939 20 0 DFADMP CC(C)C[C@@H]([NH3+])CN1CC[C@@H]([N@@H+](C)CCc2ccccc2)C1 ZINC000579377323 318327396 /nfs/dbraw/zinc/32/73/96/318327396.db2.gz MNOFNPBTEZYBBO-RTBURBONSA-N 2 1 303.494 2.609 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCCC[NH2+]C2)c(C)c1 ZINC000579928542 318363771 /nfs/dbraw/zinc/36/37/71/318363771.db2.gz LCWJRCBLUVYINN-HOTGVXAUSA-N 2 1 303.450 2.752 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]([NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000379616890 323289494 /nfs/dbraw/zinc/28/94/94/323289494.db2.gz DFFIXQBPQJBNDN-NXWXRZEISA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CCN1Cc1ccccc1 ZINC000379616890 323289500 /nfs/dbraw/zinc/28/95/00/323289500.db2.gz DFFIXQBPQJBNDN-NXWXRZEISA-N 2 1 301.478 2.899 20 0 DFADMP C[C@H](CCNC(=O)[C@H]1CCCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000379681798 323290463 /nfs/dbraw/zinc/29/04/63/323290463.db2.gz TVHXUZOBLGGXAD-SJLPKXTDSA-N 2 1 317.477 2.545 20 0 DFADMP Brc1ccsc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000379839688 323290556 /nfs/dbraw/zinc/29/05/56/323290556.db2.gz GEROPTDBIATLFP-PHIMTYICSA-N 2 1 315.280 2.942 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379654570 323290753 /nfs/dbraw/zinc/29/07/53/323290753.db2.gz IYTMZVDZFYREFH-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379654570 323290756 /nfs/dbraw/zinc/29/07/56/323290756.db2.gz IYTMZVDZFYREFH-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000379654570 323290758 /nfs/dbraw/zinc/29/07/58/323290758.db2.gz IYTMZVDZFYREFH-WDSOQIARSA-N 2 1 301.478 2.723 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000380894956 323292628 /nfs/dbraw/zinc/29/26/28/323292628.db2.gz BXZFMPITELPSSE-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753635 323294963 /nfs/dbraw/zinc/29/49/63/323294963.db2.gz CMKBTOMMRCJRCF-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H](NC[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381753635 323294967 /nfs/dbraw/zinc/29/49/67/323294967.db2.gz CMKBTOMMRCJRCF-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H](NC[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381753635 323294968 /nfs/dbraw/zinc/29/49/68/323294968.db2.gz CMKBTOMMRCJRCF-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000381753635 323294973 /nfs/dbraw/zinc/29/49/73/323294973.db2.gz CMKBTOMMRCJRCF-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000381753635 323294980 /nfs/dbraw/zinc/29/49/80/323294980.db2.gz CMKBTOMMRCJRCF-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[NH+](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000381753635 323294985 /nfs/dbraw/zinc/29/49/85/323294985.db2.gz CMKBTOMMRCJRCF-DFQSSKMNSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000381943223 323296821 /nfs/dbraw/zinc/29/68/21/323296821.db2.gz XUUDYZMIFVELHK-CYBMUJFWSA-N 2 1 311.470 2.506 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1CC[NH2+]C(C)(C)C ZINC000382754589 323302395 /nfs/dbraw/zinc/30/23/95/323302395.db2.gz GKNGWZUSVXWTAZ-QGZVFWFLSA-N 2 1 303.494 2.971 20 0 DFADMP CCCN(CC[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382842209 323303393 /nfs/dbraw/zinc/30/33/93/323303393.db2.gz WFLKPCIRMMRURK-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP Brc1csc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000384041756 323305504 /nfs/dbraw/zinc/30/55/04/323305504.db2.gz QIIAJDPWQLJLAE-PHIMTYICSA-N 2 1 315.280 2.942 20 0 DFADMP CCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000386044880 323315342 /nfs/dbraw/zinc/31/53/42/323315342.db2.gz YKNVRDHOQCNQQC-MRXNPFEDSA-N 2 1 306.450 2.914 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000389787633 323337007 /nfs/dbraw/zinc/33/70/07/323337007.db2.gz NBHPZSXGXOVXFL-OWYHZJEWSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000389787633 323337012 /nfs/dbraw/zinc/33/70/12/323337012.db2.gz NBHPZSXGXOVXFL-OWYHZJEWSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000389849840 323338738 /nfs/dbraw/zinc/33/87/38/323338738.db2.gz UKWYNRNXZZTZJM-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389849840 323338742 /nfs/dbraw/zinc/33/87/42/323338742.db2.gz UKWYNRNXZZTZJM-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389849840 323338747 /nfs/dbraw/zinc/33/87/47/323338747.db2.gz UKWYNRNXZZTZJM-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000389849840 323338749 /nfs/dbraw/zinc/33/87/49/323338749.db2.gz UKWYNRNXZZTZJM-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000389849840 323338753 /nfs/dbraw/zinc/33/87/53/323338753.db2.gz UKWYNRNXZZTZJM-PANBIXPWSA-N 2 1 313.489 2.722 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc3c(n2)CCC3)C1 ZINC000580524770 323396274 /nfs/dbraw/zinc/39/62/74/323396274.db2.gz LOLJFWPJELVYGF-GOSISDBHSA-N 2 1 317.477 2.503 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000316873433 534204704 /nfs/dbraw/zinc/20/47/04/534204704.db2.gz WRNDMLZROXJTBD-GJZGRUSLSA-N 2 1 300.406 2.695 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000316873433 534204707 /nfs/dbraw/zinc/20/47/07/534204707.db2.gz WRNDMLZROXJTBD-GJZGRUSLSA-N 2 1 300.406 2.695 20 0 DFADMP C(CO[C@H]1CCCCO1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000338317588 518393840 /nfs/dbraw/zinc/39/38/40/518393840.db2.gz NTKFVJFYIDOHOU-ROUUACIJSA-N 2 1 310.482 2.870 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[N@H+]3C2)c1 ZINC000366353587 520004294 /nfs/dbraw/zinc/00/42/94/520004294.db2.gz JZXGXGCRTPQGAN-WBVHZDCISA-N 2 1 301.434 2.609 20 0 DFADMP CCCC[N@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000163527091 520411723 /nfs/dbraw/zinc/41/17/23/520411723.db2.gz FKTFPIDBVFFUKW-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[N@@H+](C)CCN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000163527091 520411730 /nfs/dbraw/zinc/41/17/30/520411730.db2.gz FKTFPIDBVFFUKW-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[NH+](C)CCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000163527091 520411737 /nfs/dbraw/zinc/41/17/37/520411737.db2.gz FKTFPIDBVFFUKW-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP CCCC[NH+](C)CCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000163527091 520411744 /nfs/dbraw/zinc/41/17/44/520411744.db2.gz FKTFPIDBVFFUKW-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP CC[NH+](CC)CCCN1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000365051813 520604262 /nfs/dbraw/zinc/60/42/62/520604262.db2.gz HIENYLPNUHJPRY-UHFFFAOYSA-N 2 1 304.482 2.998 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)Nc1ccc([C@@H](C)[NH+]2CCOCC2)cc1 ZINC000154561830 521073502 /nfs/dbraw/zinc/07/35/02/521073502.db2.gz JONDZRHTQISKGS-RHSMWYFYSA-N 2 1 319.449 2.536 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC000156435863 523024250 /nfs/dbraw/zinc/02/42/50/523024250.db2.gz LVOPQHFTZUGAEH-SFHVURJKSA-N 2 1 317.477 2.743 20 0 DFADMP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365988109 523185992 /nfs/dbraw/zinc/18/59/92/523185992.db2.gz KMJRENCTTRACSC-CQSZACIVSA-N 2 1 322.412 2.831 20 0 DFADMP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365988109 523185999 /nfs/dbraw/zinc/18/59/99/523185999.db2.gz KMJRENCTTRACSC-CQSZACIVSA-N 2 1 322.412 2.831 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367614689 523989051 /nfs/dbraw/zinc/98/90/51/523989051.db2.gz IUQWOHRZBXVVSU-SQNIBIBYSA-N 2 1 314.477 2.644 20 0 DFADMP Cc1cccc(CC[C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000128385697 524365968 /nfs/dbraw/zinc/36/59/68/524365968.db2.gz CFCTYCGIJGLFFD-LJQANCHMSA-N 2 1 317.521 2.933 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163370686 524563063 /nfs/dbraw/zinc/56/30/63/524563063.db2.gz AHIDWPAUQKMCLS-LXZKKBNFSA-N 2 1 307.869 2.849 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+][C@@H]1CCN(c2cccc(Cl)c2)C1 ZINC000163370686 524563071 /nfs/dbraw/zinc/56/30/71/524563071.db2.gz AHIDWPAUQKMCLS-LXZKKBNFSA-N 2 1 307.869 2.849 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+](CC3CCCCC3)CC2)n(C)n1 ZINC000367439672 524752328 /nfs/dbraw/zinc/75/23/28/524752328.db2.gz WFLJRKRTUWKFEU-UHFFFAOYSA-N 2 1 304.482 2.863 20 0 DFADMP CC(C)(CO)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000294662455 527201964 /nfs/dbraw/zinc/20/19/64/527201964.db2.gz AGCLXSNNQOMMKW-UHFFFAOYSA-N 2 1 322.468 2.831 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(N(C)CC[C@H]2CCCC[N@@H+]2C)n1 ZINC000364864272 527384035 /nfs/dbraw/zinc/38/40/35/527384035.db2.gz FXXSFVIMDDEEFB-MRXNPFEDSA-N 2 1 313.449 2.886 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(N(C)CC[C@H]2CCCC[N@H+]2C)n1 ZINC000364864272 527384043 /nfs/dbraw/zinc/38/40/43/527384043.db2.gz FXXSFVIMDDEEFB-MRXNPFEDSA-N 2 1 313.449 2.886 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](Cc2ccccc2)OC)C1 ZINC000294928806 527837478 /nfs/dbraw/zinc/83/74/78/527837478.db2.gz IWQPTZHKSWXCIZ-OALUTQOASA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000294928806 527837483 /nfs/dbraw/zinc/83/74/83/527837483.db2.gz IWQPTZHKSWXCIZ-OALUTQOASA-N 2 1 304.478 2.908 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H](Cc2ccccc2)OC)C1 ZINC000294928806 527837486 /nfs/dbraw/zinc/83/74/86/527837486.db2.gz IWQPTZHKSWXCIZ-OALUTQOASA-N 2 1 304.478 2.908 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000328297751 527886580 /nfs/dbraw/zinc/88/65/80/527886580.db2.gz WQVCEHPNWLUWGJ-LWYYNNOASA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000328297751 527886581 /nfs/dbraw/zinc/88/65/81/527886581.db2.gz WQVCEHPNWLUWGJ-LWYYNNOASA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000328297751 527886584 /nfs/dbraw/zinc/88/65/84/527886584.db2.gz WQVCEHPNWLUWGJ-LWYYNNOASA-N 2 1 313.489 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000328297751 527886586 /nfs/dbraw/zinc/88/65/86/527886586.db2.gz WQVCEHPNWLUWGJ-LWYYNNOASA-N 2 1 313.489 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000328297751 527886590 /nfs/dbraw/zinc/88/65/90/527886590.db2.gz WQVCEHPNWLUWGJ-LWYYNNOASA-N 2 1 313.489 2.581 20 0 DFADMP CC(C)CNC(=[NH2+])NC[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000309661884 528030754 /nfs/dbraw/zinc/03/07/54/528030754.db2.gz MQBSTKGBKISVET-SFHVURJKSA-N 2 1 302.466 2.669 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000309817092 528830005 /nfs/dbraw/zinc/83/00/05/528830005.db2.gz OJUAHVRSYWMKCF-AOIWGVFYSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000309817092 528830009 /nfs/dbraw/zinc/83/00/09/528830009.db2.gz OJUAHVRSYWMKCF-AOIWGVFYSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000309817092 528830014 /nfs/dbraw/zinc/83/00/14/528830014.db2.gz OJUAHVRSYWMKCF-AOIWGVFYSA-N 2 1 303.494 2.968 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358193219 536543682 /nfs/dbraw/zinc/54/36/82/536543682.db2.gz AQOUGPCMNOSZPQ-LSDHHAIUSA-N 2 1 317.433 2.883 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)c2O1 ZINC000262135737 534956944 /nfs/dbraw/zinc/95/69/44/534956944.db2.gz LXFIAUNRDHWWOW-USXIJHARSA-N 2 1 300.446 2.959 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)c3ccnc(C[NH3+])c3)c2C1 ZINC000361608984 535001845 /nfs/dbraw/zinc/00/18/45/535001845.db2.gz HQDVCWBGKWXIED-UHFFFAOYSA-N 2 1 310.401 2.518 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)c3ccnc(C[NH3+])c3)c2C1 ZINC000361608984 535001855 /nfs/dbraw/zinc/00/18/55/535001855.db2.gz HQDVCWBGKWXIED-UHFFFAOYSA-N 2 1 310.401 2.518 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH+](C)C[C@H]3C)c2C1 ZINC000362905886 535145240 /nfs/dbraw/zinc/14/52/40/535145240.db2.gz UJZBBCKRPRSHMZ-GDBMZVCRSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@H+](C)C[C@H]3C)c2C1 ZINC000362905886 535145245 /nfs/dbraw/zinc/14/52/45/535145245.db2.gz UJZBBCKRPRSHMZ-GDBMZVCRSA-N 2 1 315.461 2.794 20 0 DFADMP CC(C)C[NH+]1Cc2cccc(NC(=O)[C@@H]3C[N@@H+](C)C[C@H]3C)c2C1 ZINC000362905886 535145249 /nfs/dbraw/zinc/14/52/49/535145249.db2.gz UJZBBCKRPRSHMZ-GDBMZVCRSA-N 2 1 315.461 2.794 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)C12CCOCC2 ZINC000249034910 535409125 /nfs/dbraw/zinc/40/91/25/535409125.db2.gz TXBQMSOKKWMWIX-KZNAEPCWSA-N 2 1 324.509 2.671 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000262038382 535458340 /nfs/dbraw/zinc/45/83/40/535458340.db2.gz BPVKGENRAHEVKM-UHFFFAOYSA-N 2 1 323.868 2.908 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC(NC(=O)c2ccccc2)CC1 ZINC000193461702 535509321 /nfs/dbraw/zinc/50/93/21/535509321.db2.gz HCNKOMIKLGVCJU-UHFFFAOYSA-N 2 1 317.477 2.613 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)Cc2ccoc2)[C@H](C)C1 ZINC000361930929 535526613 /nfs/dbraw/zinc/52/66/13/535526613.db2.gz SQKPHDVKOOLSOJ-NUJGCVRESA-N 2 1 308.466 2.937 20 0 DFADMP CC[C@@H]([NH2+]CC1([NH+]2CCC(OC)CC2)CCCC1)[C@H]1CCOC1 ZINC000361216288 535803102 /nfs/dbraw/zinc/80/31/02/535803102.db2.gz LSNOLRDNBNRQER-FUHWJXTLSA-N 2 1 324.509 2.815 20 0 DFADMP C[NH2+][C@@H](C)Cc1noc([C@H]2CCC[N@@H+]2Cc2ccccc2)n1 ZINC000261895476 536350361 /nfs/dbraw/zinc/35/03/61/536350361.db2.gz XXMNZGLWTIIPSD-DZGCQCFKSA-N 2 1 300.406 2.557 20 0 DFADMP C[NH2+][C@@H](C)Cc1noc([C@H]2CCC[N@H+]2Cc2ccccc2)n1 ZINC000261895476 536350363 /nfs/dbraw/zinc/35/03/63/536350363.db2.gz XXMNZGLWTIIPSD-DZGCQCFKSA-N 2 1 300.406 2.557 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000681260689 545619265 /nfs/dbraw/zinc/61/92/65/545619265.db2.gz BTTUNJHILNPJDB-ZFWWWQNUSA-N 2 1 306.454 2.522 20 0 DFADMP Brc1c[nH+]ccc1N1CCN(c2cc[nH+]cc2)CC1 ZINC000681372269 545633698 /nfs/dbraw/zinc/63/36/98/545633698.db2.gz HDNDPRJEKKKNPE-UHFFFAOYSA-N 2 1 319.206 2.566 20 0 DFADMP CC(C)[NH2+][C@H]1CCC[N@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000681406052 545639328 /nfs/dbraw/zinc/63/93/28/545639328.db2.gz QYLGVGWTOFNRSW-KRWDZBQOSA-N 2 1 323.525 2.734 20 0 DFADMP CC(C)[NH2+][C@H]1CCC[N@@H+](CC2CCN(C(=O)C(C)(C)C)CC2)C1 ZINC000681406052 545639330 /nfs/dbraw/zinc/63/93/30/545639330.db2.gz QYLGVGWTOFNRSW-KRWDZBQOSA-N 2 1 323.525 2.734 20 0 DFADMP C[N@@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681915067 545752616 /nfs/dbraw/zinc/75/26/16/545752616.db2.gz XXXRDMOLZXMJOR-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1cccc(-n2cccn2)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681915067 545752621 /nfs/dbraw/zinc/75/26/21/545752621.db2.gz XXXRDMOLZXMJOR-QGZVFWFLSA-N 2 1 321.428 2.763 20 0 DFADMP Fc1ccc([C@H](N[C@H]2CC[N@@H+](CC3CC3)C2)c2ncc[nH]2)cc1 ZINC000682132325 545802066 /nfs/dbraw/zinc/80/20/66/545802066.db2.gz BAMBEMGMVQENTO-IRXDYDNUSA-N 2 1 314.408 2.712 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCS[C@@H]2C)[C@@H](C)C1 ZINC000682159063 545808691 /nfs/dbraw/zinc/80/86/91/545808691.db2.gz KZJRFKOKQUJUQV-XUWVNRHRSA-N 2 1 300.512 2.607 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000682379463 545834167 /nfs/dbraw/zinc/83/41/67/545834167.db2.gz AOWCFVJHLFFTRG-UUQIVFDPSA-N 2 1 304.438 2.783 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000682379463 545834170 /nfs/dbraw/zinc/83/41/70/545834170.db2.gz AOWCFVJHLFFTRG-UUQIVFDPSA-N 2 1 304.438 2.783 20 0 DFADMP CN1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690292 546075545 /nfs/dbraw/zinc/07/55/45/546075545.db2.gz GHSWXHAGRUUNRO-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@@H+]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683690292 546075549 /nfs/dbraw/zinc/07/55/49/546075549.db2.gz GHSWXHAGRUUNRO-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@H+]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683690292 546075552 /nfs/dbraw/zinc/07/55/52/546075552.db2.gz GHSWXHAGRUUNRO-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683690292 546075555 /nfs/dbraw/zinc/07/55/55/546075555.db2.gz GHSWXHAGRUUNRO-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690292 546075558 /nfs/dbraw/zinc/07/55/58/546075558.db2.gz GHSWXHAGRUUNRO-YSTOQKLRSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000683693029 546076740 /nfs/dbraw/zinc/07/67/40/546076740.db2.gz ZNQXFHSFUUJSIR-LEUOFYLZSA-N 2 1 302.462 2.931 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C(C)(C)O ZINC000683693033 546077358 /nfs/dbraw/zinc/07/73/58/546077358.db2.gz ZNQXFHSFUUJSIR-OWLYRPNTSA-N 2 1 302.462 2.931 20 0 DFADMP C[C@H](O)C[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684149279 546158853 /nfs/dbraw/zinc/15/88/53/546158853.db2.gz WPZAFDGKTZWLBY-WMZOPIPTSA-N 2 1 320.477 2.752 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@H]1[C@H]1CCC[NH+]1C)C1CCCCC1 ZINC000684163267 546161593 /nfs/dbraw/zinc/16/15/93/546161593.db2.gz JJSLYTQGRIZUMM-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000684163267 546161595 /nfs/dbraw/zinc/16/15/95/546161595.db2.gz JJSLYTQGRIZUMM-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@H]1[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000684163267 546161597 /nfs/dbraw/zinc/16/15/97/546161597.db2.gz JJSLYTQGRIZUMM-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP CO[C@H]1CCC[C@@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000684390964 546208457 /nfs/dbraw/zinc/20/84/57/546208457.db2.gz MHICTTFBNCIURO-SJORKVTESA-N 2 1 318.465 2.609 20 0 DFADMP COc1cc2c(N[C@H](C)[C@H]3C[N@H+](C)CCO3)cc[nH+]c2cc1F ZINC000684578635 546247463 /nfs/dbraw/zinc/24/74/63/546247463.db2.gz VDNJUIFPQVVSOV-PIGZYNQJSA-N 2 1 319.380 2.514 20 0 DFADMP COc1cc2c(N[C@H](C)[C@H]3C[N@@H+](C)CCO3)cc[nH+]c2cc1F ZINC000684578635 546247466 /nfs/dbraw/zinc/24/74/66/546247466.db2.gz VDNJUIFPQVVSOV-PIGZYNQJSA-N 2 1 319.380 2.514 20 0 DFADMP C[N@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577227 546370756 /nfs/dbraw/zinc/37/07/56/546370756.db2.gz VUVCXQJQCSPHQF-MRXNPFEDSA-N 2 1 311.429 2.555 20 0 DFADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685577227 546370758 /nfs/dbraw/zinc/37/07/58/546370758.db2.gz VUVCXQJQCSPHQF-MRXNPFEDSA-N 2 1 311.429 2.555 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)CCO2 ZINC000278435637 214152002 /nfs/dbraw/zinc/15/20/02/214152002.db2.gz HDUXAQDXUXJLMV-CVEARBPZSA-N 2 1 318.461 2.773 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1F ZINC000278459492 214167108 /nfs/dbraw/zinc/16/71/08/214167108.db2.gz JAIMOMLZXPOBJS-CABCVRRESA-N 2 1 324.440 2.986 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1 ZINC000278463782 214170598 /nfs/dbraw/zinc/17/05/98/214170598.db2.gz JFTIWMCTUJHPCM-HZPDHXFCSA-N 2 1 306.450 2.847 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1 ZINC000278463782 214170600 /nfs/dbraw/zinc/17/06/00/214170600.db2.gz JFTIWMCTUJHPCM-HZPDHXFCSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[NH+](C)C ZINC000278624042 214283038 /nfs/dbraw/zinc/28/30/38/214283038.db2.gz GLBOTTQYLKHEDJ-OWYHZJEWSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)c1ccc2c(c1)OCO2 ZINC000278715481 214348064 /nfs/dbraw/zinc/34/80/64/214348064.db2.gz VTKIMFSKTZGTNG-GJZGRUSLSA-N 2 1 320.433 2.567 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@@H+]1CCCO[C@H](C)C1 ZINC000278728511 214358902 /nfs/dbraw/zinc/35/89/02/214358902.db2.gz WETJUBYCAYQWFL-CVEARBPZSA-N 2 1 306.450 2.847 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]CCC[N@H+]1CCCO[C@H](C)C1 ZINC000278728511 214358904 /nfs/dbraw/zinc/35/89/04/214358904.db2.gz WETJUBYCAYQWFL-CVEARBPZSA-N 2 1 306.450 2.847 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000310937828 231116320 /nfs/dbraw/zinc/11/63/20/231116320.db2.gz NENDRMCTXDXUHE-UHFFFAOYSA-N 2 1 312.186 2.883 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000317830419 231165432 /nfs/dbraw/zinc/16/54/32/231165432.db2.gz WHZGXWJCGXCCCW-FHWLQOOXSA-N 2 1 300.446 2.899 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)C2CC2)cc1 ZINC000317830419 231165436 /nfs/dbraw/zinc/16/54/36/231165436.db2.gz WHZGXWJCGXCCCW-FHWLQOOXSA-N 2 1 300.446 2.899 20 0 DFADMP C[C@H](CC[S@](C)=O)[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272849766 210244653 /nfs/dbraw/zinc/24/46/53/210244653.db2.gz SLWQBEQDMUAMFP-LVOOAJGHSA-N 2 1 322.518 2.644 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000318886907 231177320 /nfs/dbraw/zinc/17/73/20/231177320.db2.gz NQZHETFOBZUBJT-BPUTZDHNSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@H](CC[S@](C)=O)[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272849766 210244654 /nfs/dbraw/zinc/24/46/54/210244654.db2.gz SLWQBEQDMUAMFP-LVOOAJGHSA-N 2 1 322.518 2.644 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000591906359 398349137 /nfs/dbraw/zinc/34/91/37/398349137.db2.gz LKIWUFPRYOIGLB-NVXWUHKLSA-N 2 1 320.481 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000591906359 398349139 /nfs/dbraw/zinc/34/91/39/398349139.db2.gz LKIWUFPRYOIGLB-NVXWUHKLSA-N 2 1 320.481 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000591906359 398349140 /nfs/dbraw/zinc/34/91/40/398349140.db2.gz LKIWUFPRYOIGLB-NVXWUHKLSA-N 2 1 320.481 2.721 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905706 398348342 /nfs/dbraw/zinc/34/83/42/398348342.db2.gz GXUUTXHFZXLTKB-DOTOQJQBSA-N 2 1 320.481 2.862 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905706 398348343 /nfs/dbraw/zinc/34/83/43/398348343.db2.gz GXUUTXHFZXLTKB-DOTOQJQBSA-N 2 1 320.481 2.862 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C1 ZINC000591905706 398348347 /nfs/dbraw/zinc/34/83/47/398348347.db2.gz GXUUTXHFZXLTKB-DOTOQJQBSA-N 2 1 320.481 2.862 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000066124833 398357949 /nfs/dbraw/zinc/35/79/49/398357949.db2.gz NOSBEWQGSRXLIS-INIZCTEOSA-N 2 1 317.477 2.743 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906430 398349549 /nfs/dbraw/zinc/34/95/49/398349549.db2.gz OFYKQWSGQXNCAV-DOTOQJQBSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906430 398349552 /nfs/dbraw/zinc/34/95/52/398349552.db2.gz OFYKQWSGQXNCAV-DOTOQJQBSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906430 398349554 /nfs/dbraw/zinc/34/95/54/398349554.db2.gz OFYKQWSGQXNCAV-DOTOQJQBSA-N 2 1 318.465 2.620 20 0 DFADMP CSC1(CNc2[nH+]cnc3[nH]c(C)c(C)c32)CC[NH+](C)CC1 ZINC000591944572 398360399 /nfs/dbraw/zinc/36/03/99/398360399.db2.gz NEINYXZGSSDJEX-UHFFFAOYSA-N 2 1 319.478 2.814 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1sccc1Br ZINC000087575639 185228821 /nfs/dbraw/zinc/22/88/21/185228821.db2.gz HGLLSWGPOHNCQD-UHFFFAOYSA-N 2 1 300.225 2.805 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)[nH+]1 ZINC000459340691 299083038 /nfs/dbraw/zinc/08/30/38/299083038.db2.gz NJRPWRSZWPRULB-AWEZNQCLSA-N 2 1 319.840 2.674 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)[nH+]1 ZINC000459340691 299083042 /nfs/dbraw/zinc/08/30/42/299083042.db2.gz NJRPWRSZWPRULB-AWEZNQCLSA-N 2 1 319.840 2.674 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000365800482 282207026 /nfs/dbraw/zinc/20/70/26/282207026.db2.gz PJDMOQANKJDARD-BZZMCLGOSA-N 2 1 305.466 2.843 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H](C)CC[C@H]1O ZINC000365800482 282207027 /nfs/dbraw/zinc/20/70/27/282207027.db2.gz PJDMOQANKJDARD-BZZMCLGOSA-N 2 1 305.466 2.843 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)cc1 ZINC000278209136 214024345 /nfs/dbraw/zinc/02/43/45/214024345.db2.gz HLBQLOWEOZLCJH-YJBOKZPZSA-N 2 1 317.477 2.789 20 0 DFADMP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000092666206 185332507 /nfs/dbraw/zinc/33/25/07/185332507.db2.gz CYDCEKYTFRPVIY-HOTGVXAUSA-N 2 1 307.507 2.739 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](C2CC2)CC1)N1CCc2sccc2C1 ZINC000459393740 299095502 /nfs/dbraw/zinc/09/55/02/299095502.db2.gz SADAHDZSEFWJGP-AWEZNQCLSA-N 2 1 319.518 2.711 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2sc(CCOC)nc2C)C1 ZINC000092739767 185337966 /nfs/dbraw/zinc/33/79/66/185337966.db2.gz RQYJVYBRSQEGGZ-JSGCOSHPSA-N 2 1 311.495 2.633 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181466703 199300677 /nfs/dbraw/zinc/30/06/77/199300677.db2.gz TVCLKTLTSKACNQ-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)OCc2ccccc2)C1 ZINC000181466703 199300679 /nfs/dbraw/zinc/30/06/79/199300679.db2.gz TVCLKTLTSKACNQ-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+]CCc1ccc(Cl)cc1 ZINC000459421746 299102530 /nfs/dbraw/zinc/10/25/30/299102530.db2.gz ZNLBLLONWJKDJW-QGZVFWFLSA-N 2 1 310.869 2.709 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000584835228 398419240 /nfs/dbraw/zinc/41/92/40/398419240.db2.gz UOQJWABJRFSJLM-CQSZACIVSA-N 2 1 323.868 2.990 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H](C)C1 ZINC000592404427 398422534 /nfs/dbraw/zinc/42/25/34/398422534.db2.gz SNMPQKDRAMCAGY-QXSJWSMHSA-N 2 1 310.482 2.817 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](C(=O)OC(C)(C)C)C2)[C@H]2CCC[C@H]21 ZINC000592403450 398422671 /nfs/dbraw/zinc/42/26/71/398422671.db2.gz LIJUSRPYDSGXEI-JZAWBGDQSA-N 2 1 322.493 2.959 20 0 DFADMP COCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000067507166 398437867 /nfs/dbraw/zinc/43/78/67/398437867.db2.gz OMWMYRYELYCDOR-QGZVFWFLSA-N 2 1 306.450 2.532 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852390 529931758 /nfs/dbraw/zinc/93/17/58/529931758.db2.gz QSGUXISTZOETBJ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852390 529931759 /nfs/dbraw/zinc/93/17/59/529931759.db2.gz QSGUXISTZOETBJ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852390 529931760 /nfs/dbraw/zinc/93/17/60/529931760.db2.gz QSGUXISTZOETBJ-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N1CCC[N@@H+](CC)CC1)c1ccccc1 ZINC000067483442 398437231 /nfs/dbraw/zinc/43/72/31/398437231.db2.gz TYBKUNGSZINCCV-GOSISDBHSA-N 2 1 317.477 2.624 20 0 DFADMP Fc1cccc(F)c1N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000459434665 299105310 /nfs/dbraw/zinc/10/53/10/299105310.db2.gz NSQPZOUONFUWEU-AWEZNQCLSA-N 2 1 321.415 2.760 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459440735 299108235 /nfs/dbraw/zinc/10/82/35/299108235.db2.gz AAYLKOGJOYTZHQ-OAHLLOKOSA-N 2 1 302.466 2.812 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2cnc(C3CC3)nc2)C1 ZINC000459440735 299108237 /nfs/dbraw/zinc/10/82/37/299108237.db2.gz AAYLKOGJOYTZHQ-OAHLLOKOSA-N 2 1 302.466 2.812 20 0 DFADMP c1cc2[nH+]ccc(NC3CC[NH+]([C@@H]4CCOC4)CC3)c2s1 ZINC000089603144 398459631 /nfs/dbraw/zinc/45/96/31/398459631.db2.gz VGXGXFVSTGSRDX-CYBMUJFWSA-N 2 1 303.431 2.962 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090050154 398476370 /nfs/dbraw/zinc/47/63/70/398476370.db2.gz REULPLBSXZOQOR-JKSUJKDBSA-N 2 1 312.461 2.722 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181779836 199350625 /nfs/dbraw/zinc/35/06/25/199350625.db2.gz YPKDLCZDSMPCRP-ZBFHGGJFSA-N 2 1 306.450 2.709 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000181779820 199351052 /nfs/dbraw/zinc/35/10/52/199351052.db2.gz YPKDLCZDSMPCRP-GOEBONIOSA-N 2 1 306.450 2.709 20 0 DFADMP COc1ccnc(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)c1 ZINC000592806958 398487417 /nfs/dbraw/zinc/48/74/17/398487417.db2.gz QEXRHEBZTOVSAA-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000090773369 398493147 /nfs/dbraw/zinc/49/31/47/398493147.db2.gz RGLZEDHEHGGCIL-MRXNPFEDSA-N 2 1 322.522 2.822 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+]C1CCN(c2nccs2)CC1 ZINC000090773369 398493149 /nfs/dbraw/zinc/49/31/49/398493149.db2.gz RGLZEDHEHGGCIL-MRXNPFEDSA-N 2 1 322.522 2.822 20 0 DFADMP C[C@H]1OCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000090939294 398496689 /nfs/dbraw/zinc/49/66/89/398496689.db2.gz TYLAIXXZCFHGJH-RDTXWAMCSA-N 2 1 306.425 2.600 20 0 DFADMP Cc1cc2ncn(C[C@H](O)C[N@H+](C)[C@H](C)C3CC3)c2cc1C ZINC000303095142 398497388 /nfs/dbraw/zinc/49/73/88/398497388.db2.gz OEFFEYUMZJLJRU-GDBMZVCRSA-N 2 1 301.434 2.744 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1cccc(-c2cnn(C)c2)c1 ZINC000090920328 398497549 /nfs/dbraw/zinc/49/75/49/398497549.db2.gz YPFZWLHXZBSCED-CLCXKQKWSA-N 2 1 312.461 2.905 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C2CC(C)(c3ccccc3)C2)CC1(C)C ZINC000459528746 299126718 /nfs/dbraw/zinc/12/67/18/299126718.db2.gz LLZIEVFYYHULFY-UHFFFAOYSA-N 2 1 315.505 2.722 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181834268 199358935 /nfs/dbraw/zinc/35/89/35/199358935.db2.gz RZPKWAIMSBLXCG-AEFFLSMTSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@H](C)C1 ZINC000181834268 199358937 /nfs/dbraw/zinc/35/89/37/199358937.db2.gz RZPKWAIMSBLXCG-AEFFLSMTSA-N 2 1 305.466 2.617 20 0 DFADMP CC1CC[NH+](CCCNC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000066042246 282468081 /nfs/dbraw/zinc/46/80/81/282468081.db2.gz IUBUWEXCGZYYNX-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccco1 ZINC000588939428 398518826 /nfs/dbraw/zinc/51/88/26/398518826.db2.gz QUCFUKAQOBKLNI-OAHLLOKOSA-N 2 1 323.481 2.757 20 0 DFADMP COc1cc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)ccc1OC(C)C ZINC000068722625 398522688 /nfs/dbraw/zinc/52/26/88/398522688.db2.gz IEKIMXIQIQCUIA-MRXNPFEDSA-N 2 1 306.450 2.914 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000272662365 210067267 /nfs/dbraw/zinc/06/72/67/210067267.db2.gz IGYKJEJUIXMDDT-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000272662365 210067271 /nfs/dbraw/zinc/06/72/71/210067271.db2.gz IGYKJEJUIXMDDT-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000272662365 210067275 /nfs/dbraw/zinc/06/72/75/210067275.db2.gz IGYKJEJUIXMDDT-QRQLOZEOSA-N 2 1 301.478 2.723 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCCC[C@H]2[C@@H]2CCC[NH2+]2)c1C ZINC000316392953 398530654 /nfs/dbraw/zinc/53/06/54/398530654.db2.gz LBRNIHPUEGVLTI-RDJZCZTQSA-N 2 1 303.450 2.814 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H](C)C[NH+]2CCCCCC2)cn1 ZINC000414128306 295770210 /nfs/dbraw/zinc/77/02/10/295770210.db2.gz GWRHEEDALXIHJX-HOTGVXAUSA-N 2 1 305.466 2.875 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc(C(=O)N(C)C)cc1 ZINC000291990471 222762498 /nfs/dbraw/zinc/76/24/98/222762498.db2.gz ABGJJVRKJREAKH-CQSZACIVSA-N 2 1 314.433 2.634 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(C(=O)OC)c(Cl)c1 ZINC000597074823 398560948 /nfs/dbraw/zinc/56/09/48/398560948.db2.gz FVWLQIIEYWBDMP-UHFFFAOYSA-N 2 1 312.841 2.948 20 0 DFADMP C[C@@H](Cc1cn(C)c2ccc(F)cc12)[NH2+]C1CC[NH+](C)CC1 ZINC000414355314 295791573 /nfs/dbraw/zinc/79/15/73/295791573.db2.gz YVSFEYWFHFXUME-ZDUSSCGKSA-N 2 1 303.425 2.932 20 0 DFADMP CCc1ncc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cn1 ZINC000414393256 295796411 /nfs/dbraw/zinc/79/64/11/295796411.db2.gz NLYYCZIMLFAHPT-UHFFFAOYSA-N 2 1 311.433 2.501 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@H]2CC[N@@H+](C3CCCCC3)C2)[C@H]1SC ZINC000597209211 398591277 /nfs/dbraw/zinc/59/12/77/398591277.db2.gz RDNZYDKVQBICRA-QMCVQRASSA-N 2 1 312.523 2.892 20 0 DFADMP CCO[C@@H]1C[C@H](N[C@H]2CC[N@H+](C3CCCCC3)C2)[C@H]1SC ZINC000597209211 398591283 /nfs/dbraw/zinc/59/12/83/398591283.db2.gz RDNZYDKVQBICRA-QMCVQRASSA-N 2 1 312.523 2.892 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH3+])CC2)cc1Cl ZINC000070188371 398593012 /nfs/dbraw/zinc/59/30/12/398593012.db2.gz ILXPQJQFRTVJMV-UHFFFAOYSA-N 2 1 309.841 2.648 20 0 DFADMP CCOC(=O)c1ccc(CNC[C@H]2CCC[N@@H+](CC3CC3)C2)o1 ZINC000597256200 398608556 /nfs/dbraw/zinc/60/85/56/398608556.db2.gz MLTRYJFYTZYMQV-OAHLLOKOSA-N 2 1 320.433 2.668 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000590184354 398603952 /nfs/dbraw/zinc/60/39/52/398603952.db2.gz IXKZQVISAOOGHK-HRCADAONSA-N 2 1 319.449 2.690 20 0 DFADMP CSCc1cnc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)s1 ZINC000590187663 398604212 /nfs/dbraw/zinc/60/42/12/398604212.db2.gz DHDLFYQMSQOTSJ-NSHDSACASA-N 2 1 308.476 2.555 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139995296 186025411 /nfs/dbraw/zinc/02/54/11/186025411.db2.gz WTPUJORLTWSHOP-AEFFLSMTSA-N 2 1 302.418 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139995296 186025412 /nfs/dbraw/zinc/02/54/12/186025412.db2.gz WTPUJORLTWSHOP-AEFFLSMTSA-N 2 1 302.418 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139995296 186025413 /nfs/dbraw/zinc/02/54/13/186025413.db2.gz WTPUJORLTWSHOP-AEFFLSMTSA-N 2 1 302.418 2.528 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H](C)Cn2cncn2)cc1 ZINC000164175478 186151544 /nfs/dbraw/zinc/15/15/44/186151544.db2.gz HANKYMLVNAGPDZ-ZIAGYGMSSA-N 2 1 310.405 2.512 20 0 DFADMP OCCCC[NH2+][C@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000194226193 186270561 /nfs/dbraw/zinc/27/05/61/186270561.db2.gz WIJMHSOQMFLVGN-QRVBRYPASA-N 2 1 302.462 2.649 20 0 DFADMP C[C@H](CCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000237457727 186292536 /nfs/dbraw/zinc/29/25/36/186292536.db2.gz LJGRVHGMECPJSP-KBAYOESNSA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)CCCCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000237507007 186298773 /nfs/dbraw/zinc/29/87/73/186298773.db2.gz UXZZMEKYUTWUKY-SJLPKXTDSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H]([NH2+]Cc1csc(Br)c1)[C@@H]1CCC[NH2+]C1 ZINC000414843456 295825169 /nfs/dbraw/zinc/82/51/69/295825169.db2.gz CAKDAFVRLFSXHW-GXSJLCMTSA-N 2 1 303.269 2.988 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414851285 295825990 /nfs/dbraw/zinc/82/59/90/295825990.db2.gz IXFVAVOFYFSCLG-NWDGAFQWSA-N 2 1 312.841 2.835 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+][C@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000459743861 299179611 /nfs/dbraw/zinc/17/96/11/299179611.db2.gz XCOXUYFBPAHDBV-PMACEKPBSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]([NH2+]Cc1sccc1Br)[C@H]1CCC[NH2+]C1 ZINC000414859530 295827378 /nfs/dbraw/zinc/82/73/78/295827378.db2.gz ULBQEXVWRCKOGL-UWVGGRQHSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414898310 295831981 /nfs/dbraw/zinc/83/19/81/295831981.db2.gz BFKNBCILZRLEFH-CQSZACIVSA-N 2 1 318.852 2.842 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[NH2+]CC[C@H]2CCC[NH2+]2)c1 ZINC000414907804 295833222 /nfs/dbraw/zinc/83/32/22/295833222.db2.gz RDJOJZFOKPGHKR-GOSISDBHSA-N 2 1 311.429 2.892 20 0 DFADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000414903995 295832763 /nfs/dbraw/zinc/83/27/63/295832763.db2.gz JIFZGJCNIGEAKY-OAHLLOKOSA-N 2 1 312.461 2.869 20 0 DFADMP C[C@]1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CCC[NH2+]C1 ZINC000414911068 295833909 /nfs/dbraw/zinc/83/39/09/295833909.db2.gz TVUQYRNWEKCLAW-INIZCTEOSA-N 2 1 302.447 2.684 20 0 DFADMP CC1(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]CC1 ZINC000414911474 295833924 /nfs/dbraw/zinc/83/39/24/295833924.db2.gz UCOAFSZSAWOVBY-UHFFFAOYSA-N 3 1 301.478 2.630 20 0 DFADMP Cc1cc(Br)c(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)s1 ZINC000414944241 295838438 /nfs/dbraw/zinc/83/84/38/295838438.db2.gz PKLDDJRFIBOAMR-KWQFWETISA-N 2 1 303.269 2.907 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414945372 295838620 /nfs/dbraw/zinc/83/86/20/295838620.db2.gz RJGJFEXFWWODFM-RDTXWAMCSA-N 2 1 311.429 2.845 20 0 DFADMP COc1cccc(C[NH2+][C@H]2CC[NH2+][C@@H](C)C2)c1OC(F)F ZINC000414951999 295840046 /nfs/dbraw/zinc/84/00/46/295840046.db2.gz QITAXHYGZVYBIZ-JQWIXIFHSA-N 2 1 300.349 2.527 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000414956057 295840526 /nfs/dbraw/zinc/84/05/26/295840526.db2.gz MXXQZCVAWFORLR-LRDDRELGSA-N 2 1 304.825 2.613 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414955647 295840313 /nfs/dbraw/zinc/84/03/13/295840313.db2.gz MJNSEALXLQBKMG-IFXJQAMLSA-N 2 1 312.461 2.636 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)N2CCCCCC2)CC1 ZINC000590786828 398673923 /nfs/dbraw/zinc/67/39/23/398673923.db2.gz OAMSBUJZJXIPIR-KRWDZBQOSA-N 2 1 323.525 2.830 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414969007 295842474 /nfs/dbraw/zinc/84/24/74/295842474.db2.gz YWZQZVINOJIMDP-ZWNOBZJWSA-N 2 1 313.239 2.545 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1O ZINC000277165692 213339965 /nfs/dbraw/zinc/33/99/65/213339965.db2.gz GGPXCATVMPNRLD-HOCLYGCPSA-N 2 1 318.461 2.796 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000459778366 299189853 /nfs/dbraw/zinc/18/98/53/299189853.db2.gz KVIQTVHLXOHFTE-KRWDZBQOSA-N 2 1 302.462 2.876 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414995595 295845335 /nfs/dbraw/zinc/84/53/35/295845335.db2.gz FTRKJMARXWPXKY-OCCSQVGLSA-N 2 1 300.780 2.642 20 0 DFADMP COc1ccc(CC[C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414998395 295845493 /nfs/dbraw/zinc/84/54/93/295845493.db2.gz IXCASIJJXCFTGF-UKRRQHHQSA-N 2 1 312.404 2.851 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000459784648 299192107 /nfs/dbraw/zinc/19/21/07/299192107.db2.gz ODBBGIIDJQUVCN-JKSUJKDBSA-N 2 1 320.477 2.956 20 0 DFADMP C[C@@H](CCCC[NH3+])[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000415015558 295847654 /nfs/dbraw/zinc/84/76/54/295847654.db2.gz OGDNHGSUUGJNFN-KRWDZBQOSA-N 3 1 303.494 2.801 20 0 DFADMP CCOC(=O)CC[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000173490337 198220390 /nfs/dbraw/zinc/22/03/90/198220390.db2.gz SWKCTRSRFGAUIX-AEFFLSMTSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000173490337 198220391 /nfs/dbraw/zinc/22/03/91/198220391.db2.gz SWKCTRSRFGAUIX-AEFFLSMTSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173490337 198220392 /nfs/dbraw/zinc/22/03/92/198220392.db2.gz SWKCTRSRFGAUIX-AEFFLSMTSA-N 2 1 318.461 2.925 20 0 DFADMP CCOC(=O)CC[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000173490337 198220393 /nfs/dbraw/zinc/22/03/93/198220393.db2.gz SWKCTRSRFGAUIX-AEFFLSMTSA-N 2 1 318.461 2.925 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000173898874 198265758 /nfs/dbraw/zinc/26/57/58/198265758.db2.gz OSSMKEMNSYJNTQ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC)C2)cc1 ZINC000173898874 198265760 /nfs/dbraw/zinc/26/57/60/198265760.db2.gz OSSMKEMNSYJNTQ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC)C2)cc1 ZINC000173898874 198265762 /nfs/dbraw/zinc/26/57/62/198265762.db2.gz OSSMKEMNSYJNTQ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC)C2)cc1 ZINC000173898874 198265764 /nfs/dbraw/zinc/26/57/64/198265764.db2.gz OSSMKEMNSYJNTQ-MRXNPFEDSA-N 2 1 306.450 2.738 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)on1 ZINC000105455504 398691993 /nfs/dbraw/zinc/69/19/93/398691993.db2.gz PZZRVDFZSBLKDJ-UHFFFAOYSA-N 2 1 315.417 2.747 20 0 DFADMP C[C@H](NC(=O)CN(C)CC[C@@H]1CCCC[N@H+]1C)c1cccs1 ZINC000173952268 198272303 /nfs/dbraw/zinc/27/23/03/198272303.db2.gz CLSYIVPEZHUINP-GJZGRUSLSA-N 2 1 323.506 2.732 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459808043 299198128 /nfs/dbraw/zinc/19/81/28/299198128.db2.gz OGZSGDZCFWUYSZ-CQSZACIVSA-N 2 1 309.454 2.881 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)C[C@@H](C)C(=O)OC(C)(C)C ZINC000459808043 299198133 /nfs/dbraw/zinc/19/81/33/299198133.db2.gz OGZSGDZCFWUYSZ-CQSZACIVSA-N 2 1 309.454 2.881 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000174517527 198345808 /nfs/dbraw/zinc/34/58/08/198345808.db2.gz PDQRMTIQJIKFNS-RDJZCZTQSA-N 2 1 306.450 2.674 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772385 198382192 /nfs/dbraw/zinc/38/21/92/198382192.db2.gz DJOXYJKVXMNMMN-CRAIPNDOSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772385 198382193 /nfs/dbraw/zinc/38/21/93/198382193.db2.gz DJOXYJKVXMNMMN-CRAIPNDOSA-N 2 1 306.450 2.736 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOc2ccc(OC)cc2)[C@H](C)C1 ZINC000174772385 198382195 /nfs/dbraw/zinc/38/21/95/198382195.db2.gz DJOXYJKVXMNMMN-CRAIPNDOSA-N 2 1 306.450 2.736 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(-n3cccn3)cc2)[C@H](C)C1 ZINC000129568042 283020550 /nfs/dbraw/zinc/02/05/50/283020550.db2.gz XWVLVHQHKVBVLR-APWZRJJASA-N 2 1 312.461 2.735 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccc(-n2cccn2)cc1 ZINC000129575455 283021480 /nfs/dbraw/zinc/02/14/80/283021480.db2.gz GTZPDPCQCPNSEY-GPMSIDNRSA-N 2 1 312.461 2.733 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000130819933 283062040 /nfs/dbraw/zinc/06/20/40/283062040.db2.gz NPBVYUOZDPFYEP-ZMSDIMECSA-N 2 1 320.481 2.597 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@@H]1C ZINC000130819933 283062045 /nfs/dbraw/zinc/06/20/45/283062045.db2.gz NPBVYUOZDPFYEP-ZMSDIMECSA-N 2 1 320.481 2.597 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000074225698 398732889 /nfs/dbraw/zinc/73/28/89/398732889.db2.gz COEMORLECYDZNT-INIZCTEOSA-N 2 1 320.481 2.635 20 0 DFADMP CN(Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472599 398765424 /nfs/dbraw/zinc/76/54/24/398765424.db2.gz ONLBRDRMMXUAGY-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000591472599 398765425 /nfs/dbraw/zinc/76/54/25/398765425.db2.gz ONLBRDRMMXUAGY-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000591472599 398765426 /nfs/dbraw/zinc/76/54/26/398765426.db2.gz ONLBRDRMMXUAGY-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472599 398765428 /nfs/dbraw/zinc/76/54/28/398765428.db2.gz ONLBRDRMMXUAGY-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472599 398765431 /nfs/dbraw/zinc/76/54/31/398765431.db2.gz ONLBRDRMMXUAGY-QZTJIDSGSA-N 2 1 304.478 2.990 20 0 DFADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472601 398765471 /nfs/dbraw/zinc/76/54/71/398765471.db2.gz ONLBRDRMMXUAGY-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000591472601 398765474 /nfs/dbraw/zinc/76/54/74/398765474.db2.gz ONLBRDRMMXUAGY-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH+]1CCC[C@@H]1C(C)(C)C ZINC000591472601 398765476 /nfs/dbraw/zinc/76/54/76/398765476.db2.gz ONLBRDRMMXUAGY-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472601 398765478 /nfs/dbraw/zinc/76/54/78/398765478.db2.gz ONLBRDRMMXUAGY-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@H](O)C[N@H+]1CCC[C@@H]1C(C)(C)C ZINC000591472601 398765480 /nfs/dbraw/zinc/76/54/80/398765480.db2.gz ONLBRDRMMXUAGY-ZWKOTPCHSA-N 2 1 304.478 2.990 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2nc(-c3ccco3)no2)CC1 ZINC000047977741 398767154 /nfs/dbraw/zinc/76/71/54/398767154.db2.gz MZWBGINFWVEWIE-UHFFFAOYSA-N 2 1 318.421 2.883 20 0 DFADMP CCC[N@@H+](CC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000236972063 283195294 /nfs/dbraw/zinc/19/52/94/283195294.db2.gz LBZYIANKOFYJOD-MRXNPFEDSA-N 2 1 304.434 2.538 20 0 DFADMP CC[C@]1(C(=O)NCC[C@H](C)[N@@H+](C)Cc2ccccc2)CCC[NH2+]1 ZINC000134617003 283194512 /nfs/dbraw/zinc/19/45/12/283194512.db2.gz RXIOOLNHHABFIQ-QFBILLFUSA-N 2 1 317.477 2.545 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C)CCC[NH2+]3)cc2)C1 ZINC000121206789 398786279 /nfs/dbraw/zinc/78/62/79/398786279.db2.gz YXGWRJBXBZTCJL-BEFAXECRSA-N 2 1 315.461 2.999 20 0 DFADMP CC[C@H](C)[C@@H]([NH3+])C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000237043050 202132015 /nfs/dbraw/zinc/13/20/15/202132015.db2.gz QRLOKGSBZVYCIA-XYJFISCASA-N 2 1 323.525 2.863 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000237109957 202156021 /nfs/dbraw/zinc/15/60/21/202156021.db2.gz QTQQASQPKOPXEO-UHFFFAOYSA-N 2 1 302.340 2.812 20 0 DFADMP CCC[N@@H+](CCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000359185038 283215625 /nfs/dbraw/zinc/21/56/25/283215625.db2.gz FHRWYKRAKBUSNT-QGZVFWFLSA-N 2 1 318.461 2.928 20 0 DFADMP COCCOc1cccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000237190119 202182006 /nfs/dbraw/zinc/18/20/06/202182006.db2.gz PZACHVRTVUSZMC-HNNXBMFYSA-N 2 1 317.433 2.643 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000136297790 283238145 /nfs/dbraw/zinc/23/81/45/283238145.db2.gz MAIZBHNYGCCROD-HNNXBMFYSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)NCC1CCCCC1 ZINC000136297790 283238150 /nfs/dbraw/zinc/23/81/50/283238150.db2.gz MAIZBHNYGCCROD-HNNXBMFYSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000136297837 283238278 /nfs/dbraw/zinc/23/82/78/283238278.db2.gz MAIZBHNYGCCROD-OAHLLOKOSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)NCC1CCCCC1 ZINC000136297837 283238282 /nfs/dbraw/zinc/23/82/82/283238282.db2.gz MAIZBHNYGCCROD-OAHLLOKOSA-N 2 1 320.481 2.598 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000136305906 283238486 /nfs/dbraw/zinc/23/84/86/283238486.db2.gz XLZBBXKFIGVNIA-UHFFFAOYSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)C1CCC(C)CC1 ZINC000136305906 283238492 /nfs/dbraw/zinc/23/84/92/283238492.db2.gz XLZBBXKFIGVNIA-UHFFFAOYSA-N 2 1 320.481 2.551 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H](C)Cn2cccn2)cc1F ZINC000138220083 283256680 /nfs/dbraw/zinc/25/66/80/283256680.db2.gz BBIROXZSFXDDEE-ZDUSSCGKSA-N 2 1 313.380 2.695 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)Cn2cccn2)CC1 ZINC000138112756 283256092 /nfs/dbraw/zinc/25/60/92/283256092.db2.gz SQZBSOBGSFBLPI-QGZVFWFLSA-N 2 1 312.461 2.834 20 0 DFADMP CC[C@H](C(=O)OC)[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000179394449 199028678 /nfs/dbraw/zinc/02/86/78/199028678.db2.gz UKXKLOZICJWJGC-QGZVFWFLSA-N 2 1 319.449 2.572 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000179503522 199045840 /nfs/dbraw/zinc/04/58/40/199045840.db2.gz MOQUVIKLPALROE-UHFFFAOYSA-N 2 1 319.380 2.719 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cc(F)cc2c1OCOC2 ZINC000179503522 199045843 /nfs/dbraw/zinc/04/58/43/199045843.db2.gz MOQUVIKLPALROE-UHFFFAOYSA-N 2 1 319.380 2.719 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000179507511 199047440 /nfs/dbraw/zinc/04/74/40/199047440.db2.gz SBGUYRISICUGBK-ZMSDIMECSA-N 2 1 320.477 2.955 20 0 DFADMP CSCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000594525573 398816073 /nfs/dbraw/zinc/81/60/73/398816073.db2.gz VMJFMPZHGDXQHF-SFHVURJKSA-N 2 1 320.502 2.893 20 0 DFADMP CCc1nn(C)c(Cl)c1C[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180121017 199119025 /nfs/dbraw/zinc/11/90/25/199119025.db2.gz RWBKMIBWKSLCDC-CYBMUJFWSA-N 2 1 321.856 2.805 20 0 DFADMP CCc1nn(C)c(Cl)c1C[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C ZINC000180121017 199119026 /nfs/dbraw/zinc/11/90/26/199119026.db2.gz RWBKMIBWKSLCDC-CYBMUJFWSA-N 2 1 321.856 2.805 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000467403378 299272561 /nfs/dbraw/zinc/27/25/61/299272561.db2.gz JWCULMZQDXTKPR-BQFCYCMXSA-N 2 1 321.509 2.630 20 0 DFADMP COC[C@@H]([NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180686 199127461 /nfs/dbraw/zinc/12/74/61/199127461.db2.gz SAEUNOXVGQXAMS-VNTMZGSJSA-N 2 1 314.473 2.912 20 0 DFADMP COC[C@H]([NH2+][C@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)C1CC1 ZINC000180180704 199127769 /nfs/dbraw/zinc/12/77/69/199127769.db2.gz SAEUNOXVGQXAMS-MUGJNUQGSA-N 2 1 314.473 2.912 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCCOCCOCc2ccccc2)CC[N@H+]1C ZINC000180231679 199133814 /nfs/dbraw/zinc/13/38/14/199133814.db2.gz DKPMOLWIJGSOEV-PKOBYXMFSA-N 2 1 320.477 2.682 20 0 DFADMP CCCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](CC)CC3)C2)s1 ZINC000598669740 398851164 /nfs/dbraw/zinc/85/11/64/398851164.db2.gz DITILHXVQKGYFX-MRXNPFEDSA-N 2 1 321.534 2.912 20 0 DFADMP CC(C)(C)OC(=O)C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CCC1 ZINC000594993072 398887950 /nfs/dbraw/zinc/88/79/50/398887950.db2.gz ADMVDZYHAVZFCB-CABCVRRESA-N 2 1 308.466 2.715 20 0 DFADMP O[C@@H]1CC[N@H+](Cc2ccccc2CNc2cc[nH+]cc2Cl)C1 ZINC000181144276 199256704 /nfs/dbraw/zinc/25/67/04/199256704.db2.gz QCXFMCTYKRBZPQ-OAHLLOKOSA-N 2 1 317.820 2.914 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2CNc2cc[nH+]cc2Cl)C1 ZINC000181144276 199256706 /nfs/dbraw/zinc/25/67/06/199256706.db2.gz QCXFMCTYKRBZPQ-OAHLLOKOSA-N 2 1 317.820 2.914 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cccc(C(=O)OC(C)(C)C)c1 ZINC000598917619 398892952 /nfs/dbraw/zinc/89/29/52/398892952.db2.gz AXHHAAMGAQVGBI-UHFFFAOYSA-N 2 1 315.417 2.708 20 0 DFADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)C1 ZINC000598964307 398898536 /nfs/dbraw/zinc/89/85/36/398898536.db2.gz FEROVTRHIUVMHI-RTEYEHBSSA-N 2 1 300.512 2.529 20 0 DFADMP CC[S@](=O)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)C1 ZINC000598964307 398898538 /nfs/dbraw/zinc/89/85/38/398898538.db2.gz FEROVTRHIUVMHI-RTEYEHBSSA-N 2 1 300.512 2.529 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000469985514 299291141 /nfs/dbraw/zinc/29/11/41/299291141.db2.gz YKSDNTVCEYYQNB-BBWFWOEESA-N 2 1 323.525 2.876 20 0 DFADMP C[NH+]1CCC(CC[NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000187963647 200184020 /nfs/dbraw/zinc/18/40/20/200184020.db2.gz FTMZFDPPMDPFCA-KRWDZBQOSA-N 2 1 316.424 2.960 20 0 DFADMP Cc1ccc([C@H](CNC(=O)c2c[nH+]ccc2N)[NH+]2CCCC2)cc1 ZINC000188132976 200198379 /nfs/dbraw/zinc/19/83/79/200198379.db2.gz GDUCGUGLVIFDHK-SFHVURJKSA-N 2 1 324.428 2.539 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CC[C@H]4C[C@H]4C3)C2)CC1 ZINC000595336971 398923636 /nfs/dbraw/zinc/92/36/36/398923636.db2.gz IPLPSTNJSMPKRE-FCGDIQPGSA-N 2 1 305.510 2.523 20 0 DFADMP CCN(C)C(=O)[C@@H](C)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000189404305 200395130 /nfs/dbraw/zinc/39/51/30/200395130.db2.gz WXOVPUDMFRYEBI-UONOGXRCSA-N 2 1 314.433 2.698 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353030 296013113 /nfs/dbraw/zinc/01/31/13/296013113.db2.gz HUFLRYCNFIYIJO-LDLYASANSA-N 2 1 313.489 2.866 20 0 DFADMP CN(C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000417353030 296013115 /nfs/dbraw/zinc/01/31/15/296013115.db2.gz HUFLRYCNFIYIJO-LDLYASANSA-N 2 1 313.489 2.866 20 0 DFADMP CN(C)C1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000417353030 296013118 /nfs/dbraw/zinc/01/31/18/296013118.db2.gz HUFLRYCNFIYIJO-LDLYASANSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000417399574 296017012 /nfs/dbraw/zinc/01/70/12/296017012.db2.gz ILNOOIMMGNRGGH-UHZRXMQZSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000417399572 296016912 /nfs/dbraw/zinc/01/69/12/296016912.db2.gz ILNOOIMMGNRGGH-UEDWAMCQSA-N 2 1 314.473 2.933 20 0 DFADMP C[S@](=O)c1ccc(C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000155560239 398946820 /nfs/dbraw/zinc/94/68/20/398946820.db2.gz NILLSZACJNLJFX-OAQYLSRUSA-N 2 1 308.491 2.777 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C)c1ccccc1 ZINC000599291141 398947985 /nfs/dbraw/zinc/94/79/85/398947985.db2.gz GWLRUPNQOAWCEJ-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1nc(C2CC2)no1)C(C)C ZINC000271983750 209358728 /nfs/dbraw/zinc/35/87/28/209358728.db2.gz FBMRDJBNYNNJIO-AWEZNQCLSA-N 2 1 303.410 2.829 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271910441 209316454 /nfs/dbraw/zinc/31/64/54/209316454.db2.gz XWLJELNJLWKBKB-HNNXBMFYSA-N 2 1 315.461 2.818 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c1C ZINC000271894444 209302649 /nfs/dbraw/zinc/30/26/49/209302649.db2.gz SYEOCRXCWLYNKP-HNNXBMFYSA-N 2 1 315.461 2.872 20 0 DFADMP CC(C)C[C@H](C(=O)OC(C)(C)C)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000599425519 398978292 /nfs/dbraw/zinc/97/82/92/398978292.db2.gz LBFCBGFSXUIBPB-CRAIPNDOSA-N 2 1 310.482 2.770 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)ccc1C ZINC000194322572 201201283 /nfs/dbraw/zinc/20/12/83/201201283.db2.gz CTOHZWXWKKMBGZ-KRWDZBQOSA-N 2 1 318.461 2.594 20 0 DFADMP CCOc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc1OCC ZINC000271847176 209264646 /nfs/dbraw/zinc/26/46/46/209264646.db2.gz HBVHTQZFMXLEKA-UHFFFAOYSA-N 2 1 304.434 2.836 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC1 ZINC000271837695 209256611 /nfs/dbraw/zinc/25/66/11/209256611.db2.gz QETIUZCREJYSMY-UHFFFAOYSA-N 2 1 316.836 2.877 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642339 399007591 /nfs/dbraw/zinc/00/75/91/399007591.db2.gz KVPNYCGMSXUXOS-SJORKVTESA-N 2 1 309.498 2.537 20 0 DFADMP COc1cc(C)c([C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1OC ZINC000271829858 209249314 /nfs/dbraw/zinc/24/93/14/209249314.db2.gz DTRKFBLKQFZELN-AWEZNQCLSA-N 2 1 304.434 2.925 20 0 DFADMP Cc1nn(C)cc1C[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275504095 212377940 /nfs/dbraw/zinc/37/79/40/212377940.db2.gz CRGGUJSEUTWORK-INIZCTEOSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1nn(C)cc1C[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000275504095 212377942 /nfs/dbraw/zinc/37/79/42/212377942.db2.gz CRGGUJSEUTWORK-INIZCTEOSA-N 2 1 313.449 2.559 20 0 DFADMP CCn1nncc1C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000417951221 296065910 /nfs/dbraw/zinc/06/59/10/296065910.db2.gz YHBNDMHKFATJDV-CJNGLKHVSA-N 2 1 319.478 2.532 20 0 DFADMP CCn1nncc1C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000417951221 296065911 /nfs/dbraw/zinc/06/59/11/296065911.db2.gz YHBNDMHKFATJDV-CJNGLKHVSA-N 2 1 319.478 2.532 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccccc1C(=O)N(C)C ZINC000418060733 296075892 /nfs/dbraw/zinc/07/58/92/296075892.db2.gz CDYAGMPXNYSNSW-UHFFFAOYSA-N 2 1 305.466 2.552 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccccc1C(=O)N(C)C ZINC000418060733 296075893 /nfs/dbraw/zinc/07/58/93/296075893.db2.gz CDYAGMPXNYSNSW-UHFFFAOYSA-N 2 1 305.466 2.552 20 0 DFADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000091689261 193091470 /nfs/dbraw/zinc/09/14/70/193091470.db2.gz FDLVWZJAQZUIGP-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP C[C@H](c1cccc(F)c1)[NH+]1CCN(CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000091689261 193091472 /nfs/dbraw/zinc/09/14/72/193091472.db2.gz FDLVWZJAQZUIGP-APWZRJJASA-N 2 1 319.468 2.989 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418204104 296081830 /nfs/dbraw/zinc/08/18/30/296081830.db2.gz PJCHXJKMLMIVEW-GJZGRUSLSA-N 2 1 320.481 2.626 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000092043466 193146235 /nfs/dbraw/zinc/14/62/35/193146235.db2.gz ILZCUTHEIXOWJW-HOTGVXAUSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000092043466 193146237 /nfs/dbraw/zinc/14/62/37/193146237.db2.gz ILZCUTHEIXOWJW-HOTGVXAUSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000092043466 193146239 /nfs/dbraw/zinc/14/62/39/193146239.db2.gz ILZCUTHEIXOWJW-HOTGVXAUSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000092043466 193146241 /nfs/dbraw/zinc/14/62/41/193146241.db2.gz ILZCUTHEIXOWJW-HOTGVXAUSA-N 2 1 304.434 2.620 20 0 DFADMP COC(=O)[C@@H]1CC[N@H+](CCCCn2cc[nH+]c2C)[C@@H]2CCC[C@@H]21 ZINC000599651421 399045401 /nfs/dbraw/zinc/04/54/01/399045401.db2.gz BIGREHMILKXHDT-BRWVUGGUSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCCCn2cc[nH+]c2C)[C@@H]2CCC[C@@H]21 ZINC000599651421 399045402 /nfs/dbraw/zinc/04/54/02/399045402.db2.gz BIGREHMILKXHDT-BRWVUGGUSA-N 2 1 319.449 2.635 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)[C@@H]2CCC[C@H]21 ZINC000599653093 399046797 /nfs/dbraw/zinc/04/67/97/399046797.db2.gz IUSGPXOWSRMGPH-GVDBMIGSSA-N 2 1 308.466 2.526 20 0 DFADMP Cc1ncc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)cn1 ZINC000613644893 399048816 /nfs/dbraw/zinc/04/88/16/399048816.db2.gz WTBVAEPYJKERLT-UHFFFAOYSA-N 2 1 302.466 2.873 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@H+]2CC)o1 ZINC000600445588 399054302 /nfs/dbraw/zinc/05/43/02/399054302.db2.gz RIIVULZDQORSID-OAHLLOKOSA-N 2 1 321.465 2.726 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000293031611 223361246 /nfs/dbraw/zinc/36/12/46/223361246.db2.gz PVGUKUIMMJPAKQ-APWZRJJASA-N 2 1 324.472 2.970 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000293031611 223361248 /nfs/dbraw/zinc/36/12/48/223361248.db2.gz PVGUKUIMMJPAKQ-APWZRJJASA-N 2 1 324.472 2.970 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]2CCCC[C@@H]21 ZINC000595735072 399062128 /nfs/dbraw/zinc/06/21/28/399062128.db2.gz VKANTFAMCQMWEM-ULQDDVLXSA-N 2 1 310.482 2.772 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000058061209 399075166 /nfs/dbraw/zinc/07/51/66/399075166.db2.gz ZTTPIEDOUISWOW-HNNXBMFYSA-N 2 1 304.434 2.668 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000058061209 399075176 /nfs/dbraw/zinc/07/51/76/399075176.db2.gz ZTTPIEDOUISWOW-HNNXBMFYSA-N 2 1 304.434 2.668 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)n1 ZINC000621782245 399077330 /nfs/dbraw/zinc/07/73/30/399077330.db2.gz OBLLAGLNYZNBRK-IEBWSBKVSA-N 2 1 310.445 2.802 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@H]4CCC[C@@]4([NH3+])C3)cc2)n1 ZINC000621782245 399077338 /nfs/dbraw/zinc/07/73/38/399077338.db2.gz OBLLAGLNYZNBRK-IEBWSBKVSA-N 2 1 310.445 2.802 20 0 DFADMP C[C@@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000292923168 284010788 /nfs/dbraw/zinc/01/07/88/284010788.db2.gz GHPHWIKXLWHCPZ-YLJYHZDGSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@H]1CCC[C@@]1(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000292923162 284011172 /nfs/dbraw/zinc/01/11/72/284011172.db2.gz GHPHWIKXLWHCPZ-FXAWDEMLSA-N 2 1 316.489 2.834 20 0 DFADMP CCc1ccc([C@H](C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000479856834 299384497 /nfs/dbraw/zinc/38/44/97/299384497.db2.gz ZQUSJUIYOXUYFG-MNEFBYGVSA-N 2 1 303.494 2.782 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)c1cccs1 ZINC000250343818 202821643 /nfs/dbraw/zinc/82/16/43/202821643.db2.gz DXDKLNYCPGOAIY-CAOSSQGBSA-N 2 1 307.507 2.861 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)CC1 ZINC000337508676 284076861 /nfs/dbraw/zinc/07/68/61/284076861.db2.gz HJWUXYFUTTVXNX-LJQANCHMSA-N 2 1 313.489 2.856 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000338237397 284092475 /nfs/dbraw/zinc/09/24/75/284092475.db2.gz JGAQLPXIPCQBQL-UHFFFAOYSA-N 2 1 321.513 2.977 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ncnn2C(C)(C)C)CC1 ZINC000338237397 284092476 /nfs/dbraw/zinc/09/24/76/284092476.db2.gz JGAQLPXIPCQBQL-UHFFFAOYSA-N 2 1 321.513 2.977 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1Br ZINC000481722826 299398951 /nfs/dbraw/zinc/39/89/51/299398951.db2.gz ZAZQSZFTKYLTMP-IUODEOHRSA-N 2 1 311.267 2.921 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000262096700 203197055 /nfs/dbraw/zinc/19/70/55/203197055.db2.gz DPTPVSLBNXKFBB-MAUKXSAKSA-N 2 1 317.477 2.662 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000262101425 203199675 /nfs/dbraw/zinc/19/96/75/203199675.db2.gz DDLUMGJIEHVIOV-NJAFHUGGSA-N 2 1 317.477 2.529 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(C)c(C)c3)C2)CC1 ZINC000093133170 193205680 /nfs/dbraw/zinc/20/56/80/193205680.db2.gz JISNIRUWYCGICL-LJQANCHMSA-N 2 1 301.478 2.515 20 0 DFADMP Cc1ccsc1C[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000093147337 193208667 /nfs/dbraw/zinc/20/86/67/193208667.db2.gz TWPTVOMVKUGBIW-INIZCTEOSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1ccsc1C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000093147337 193208669 /nfs/dbraw/zinc/20/86/69/193208669.db2.gz TWPTVOMVKUGBIW-INIZCTEOSA-N 2 1 307.507 2.658 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1COc1cccnc1C ZINC000419404648 296140246 /nfs/dbraw/zinc/14/02/46/296140246.db2.gz UECYYDZGMIEFNU-QGZVFWFLSA-N 2 1 314.433 2.828 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1COc1cccnc1C ZINC000419404648 296140248 /nfs/dbraw/zinc/14/02/48/296140248.db2.gz UECYYDZGMIEFNU-QGZVFWFLSA-N 2 1 314.433 2.828 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CC[C@H](C)[N@@H+](Cc2ccccc2)CC1 ZINC000262334117 203266231 /nfs/dbraw/zinc/26/62/31/203266231.db2.gz WIIMGKBQLZXYKW-QFBILLFUSA-N 2 1 317.477 2.627 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000093215242 193217589 /nfs/dbraw/zinc/21/75/89/193217589.db2.gz SXTSJGOTIODIBV-VXGBXAGGSA-N 2 1 301.203 2.948 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cc(F)ccc2Br)C1 ZINC000093215244 193217616 /nfs/dbraw/zinc/21/76/16/193217616.db2.gz SXTSJGOTIODIBV-NEPJUHHUSA-N 2 1 301.203 2.948 20 0 DFADMP COCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093644883 193280660 /nfs/dbraw/zinc/28/06/60/193280660.db2.gz WOIJVLIEQIBSRF-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000093644883 193280662 /nfs/dbraw/zinc/28/06/62/193280662.db2.gz WOIJVLIEQIBSRF-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000093644883 193280664 /nfs/dbraw/zinc/28/06/64/193280664.db2.gz WOIJVLIEQIBSRF-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000093644883 193280666 /nfs/dbraw/zinc/28/06/66/193280666.db2.gz WOIJVLIEQIBSRF-NVXWUHKLSA-N 2 1 306.450 2.626 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093742140 193298283 /nfs/dbraw/zinc/29/82/83/193298283.db2.gz BHMWGADUPOUBEF-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093742140 193298284 /nfs/dbraw/zinc/29/82/84/193298284.db2.gz BHMWGADUPOUBEF-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093742140 193298286 /nfs/dbraw/zinc/29/82/86/193298286.db2.gz BHMWGADUPOUBEF-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(NC(C)=O)cc2)C1 ZINC000093742140 193298287 /nfs/dbraw/zinc/29/82/87/193298287.db2.gz BHMWGADUPOUBEF-QGZVFWFLSA-N 2 1 303.450 2.809 20 0 DFADMP C[N@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-n2cncn2)cc1 ZINC000093660154 193285040 /nfs/dbraw/zinc/28/50/40/193285040.db2.gz CAALWVJBPFGKJH-KRWDZBQOSA-N 2 1 313.449 2.574 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)Cc1ccc(-n2cncn2)cc1 ZINC000093660154 193285042 /nfs/dbraw/zinc/28/50/42/193285042.db2.gz CAALWVJBPFGKJH-KRWDZBQOSA-N 2 1 313.449 2.574 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)Cc1ccc(-n2cncn2)cc1 ZINC000093660154 193285043 /nfs/dbraw/zinc/28/50/43/193285043.db2.gz CAALWVJBPFGKJH-KRWDZBQOSA-N 2 1 313.449 2.574 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)Cc1ccc(-n2cncn2)cc1 ZINC000093660154 193285045 /nfs/dbraw/zinc/28/50/45/193285045.db2.gz CAALWVJBPFGKJH-KRWDZBQOSA-N 2 1 313.449 2.574 20 0 DFADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000595901249 399128018 /nfs/dbraw/zinc/12/80/18/399128018.db2.gz TWNLELBECAIHSD-MRXNPFEDSA-N 2 1 316.445 2.685 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccc1N(C)C ZINC000093944997 193330867 /nfs/dbraw/zinc/33/08/67/193330867.db2.gz MUNJWBAFYNROGS-IAGOWNOFSA-N 2 1 319.493 2.640 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cn(C)nc1C(C)(C)C ZINC000093963554 193332158 /nfs/dbraw/zinc/33/21/58/193332158.db2.gz ALXJOSCYLRJASF-CYBMUJFWSA-N 2 1 303.454 2.648 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)s1 ZINC000595901646 399129364 /nfs/dbraw/zinc/12/93/64/399129364.db2.gz ZMKBMAMPHGTHMK-CQSZACIVSA-N 2 1 322.474 2.746 20 0 DFADMP C[C@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)cn1 ZINC000274986246 212059325 /nfs/dbraw/zinc/05/93/25/212059325.db2.gz ZYJTXTLRSUIBBP-AWEZNQCLSA-N 2 1 324.900 2.659 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[C@H](O)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274925761 212038115 /nfs/dbraw/zinc/03/81/15/212038115.db2.gz PUAXHTIDCGBMRS-QXCFHYIPSA-N 2 1 302.462 2.790 20 0 DFADMP C[NH2+]CCNc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c21 ZINC000420153017 296159582 /nfs/dbraw/zinc/15/95/82/296159582.db2.gz FPSNDGUUHHUQFK-UHFFFAOYSA-N 2 1 319.478 2.535 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274913327 212028538 /nfs/dbraw/zinc/02/85/38/212028538.db2.gz NPRIQUZRTWLXAQ-AOIWGVFYSA-N 2 1 312.461 2.772 20 0 DFADMP [NH3+]C[C@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000420204768 296162335 /nfs/dbraw/zinc/16/23/35/296162335.db2.gz STSCEJDWSCPKRD-LLVKDONJSA-N 2 1 306.207 2.925 20 0 DFADMP OC[C@@H]1C=C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000341247244 284259287 /nfs/dbraw/zinc/25/92/87/284259287.db2.gz OXLFWRLEGYHBGL-MJIXASBWSA-N 2 1 312.457 2.709 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2nc(-c3ccccc3F)no2)CC1 ZINC000420297979 296170831 /nfs/dbraw/zinc/17/08/31/296170831.db2.gz ZJMBJBZSAHPZSD-UHFFFAOYSA-N 2 1 318.396 2.697 20 0 DFADMP COCC[N@@H+](CCCc1ccccc1)CC[C@H]1CCC[NH2+]C1 ZINC000420296410 296171066 /nfs/dbraw/zinc/17/10/66/296171066.db2.gz DMIWSVWATMJMKK-LJQANCHMSA-N 2 1 304.478 2.957 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]12 ZINC000420299328 296171435 /nfs/dbraw/zinc/17/14/35/296171435.db2.gz ASNWZFVFUGTVEV-MISYRCLQSA-N 2 1 323.440 2.830 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cncc(OCc4ccccc4)c3)C[C@@H]12 ZINC000420299328 296171436 /nfs/dbraw/zinc/17/14/36/296171436.db2.gz ASNWZFVFUGTVEV-MISYRCLQSA-N 2 1 323.440 2.830 20 0 DFADMP CC(C)[N@@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1ccc(F)cc1 ZINC000420299409 296171451 /nfs/dbraw/zinc/17/14/51/296171451.db2.gz GLIPKRLJMBAFQU-OAHLLOKOSA-N 2 1 321.440 2.864 20 0 DFADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302533 296171944 /nfs/dbraw/zinc/17/19/44/296171944.db2.gz MMXANDCPLJCVHH-CQSZACIVSA-N 2 1 323.868 2.990 20 0 DFADMP Brc1cccc2c1C[N@@H+](CC[C@H]1CC[NH2+]C1)CC2 ZINC000420306561 296172464 /nfs/dbraw/zinc/17/24/64/296172464.db2.gz QKZMYPQEAUNZHG-GFCCVEGCSA-N 2 1 309.251 2.807 20 0 DFADMP c1cc2c(c([C@H]3CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)c1)OCCO2 ZINC000420305930 296172728 /nfs/dbraw/zinc/17/27/28/296172728.db2.gz QDSFFDLCLOSFSW-GDBMZVCRSA-N 2 1 302.418 2.594 20 0 DFADMP CCOC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000420314810 296173630 /nfs/dbraw/zinc/17/36/30/296173630.db2.gz QVTVSEBKBOHBMK-ROUUACIJSA-N 2 1 318.461 2.612 20 0 DFADMP C[C@H]1C[C@H](c2ccccc2)C[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420315120 296173738 /nfs/dbraw/zinc/17/37/38/296173738.db2.gz ZRLRVCVQJLECSW-FIRPJDEBSA-N 2 1 324.468 2.795 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+](C)Cc2cnc(C)s2)cc1 ZINC000420313700 296173816 /nfs/dbraw/zinc/17/38/16/296173816.db2.gz JIJOFLPEXJVVMH-AWEZNQCLSA-N 2 1 305.447 2.634 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)Cc2cnc(C)s2)cc1 ZINC000420313700 296173817 /nfs/dbraw/zinc/17/38/17/296173817.db2.gz JIJOFLPEXJVVMH-AWEZNQCLSA-N 2 1 305.447 2.634 20 0 DFADMP Cc1cc(-c2noc(C[N@H+]3CCC[C@H](CC[NH3+])C3)n2)ccc1F ZINC000420313668 296173873 /nfs/dbraw/zinc/17/38/73/296173873.db2.gz PQLQBAIGGSOVAQ-CYBMUJFWSA-N 2 1 318.396 2.745 20 0 DFADMP c1ccc(C[N@H+](CC[C@@H]2CCCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420313717 296173898 /nfs/dbraw/zinc/17/38/98/296173898.db2.gz PTTJWSWFTGJWRM-OALUTQOASA-N 2 1 317.477 2.985 20 0 DFADMP CC[N@@H+](CCN1CC[NH2+]CC1)[C@@H](C)c1cc2ccccc2o1 ZINC000420322288 296174721 /nfs/dbraw/zinc/17/47/21/296174721.db2.gz SKEHMPRFPOBUED-HNNXBMFYSA-N 2 1 301.434 2.721 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420321066 296174789 /nfs/dbraw/zinc/17/47/89/296174789.db2.gz CFPXGQYLKHEYKU-IAGOWNOFSA-N 2 1 318.461 2.786 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC[C@@H]2CC[NH2+]C2)CC1 ZINC000420321790 296174980 /nfs/dbraw/zinc/17/49/80/296174980.db2.gz RRVWRQHMUUNIAV-SFHVURJKSA-N 3 1 315.505 2.830 20 0 DFADMP C[C@@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321044 296175024 /nfs/dbraw/zinc/17/50/24/296175024.db2.gz CFGIPHUEALFUDH-QWHCGFSZSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1c(F)cccc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321044 296175026 /nfs/dbraw/zinc/17/50/26/296175026.db2.gz CFGIPHUEALFUDH-QWHCGFSZSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1c(F)cccc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321041 296175038 /nfs/dbraw/zinc/17/50/38/296175038.db2.gz CFGIPHUEALFUDH-CHWSQXEVSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1c(F)cccc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420321041 296175039 /nfs/dbraw/zinc/17/50/39/296175039.db2.gz CFGIPHUEALFUDH-CHWSQXEVSA-N 2 1 310.388 2.713 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000420324383 296175119 /nfs/dbraw/zinc/17/51/19/296175119.db2.gz VCOQNJQYRHADKY-YOEHRIQHSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323168 296175137 /nfs/dbraw/zinc/17/51/37/296175137.db2.gz FUJRZEYWPYQZBN-OLZOCXBDSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323168 296175139 /nfs/dbraw/zinc/17/51/39/296175139.db2.gz FUJRZEYWPYQZBN-OLZOCXBDSA-N 2 1 310.388 2.713 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@H]2CC[NH2+]C2)c(OC)c1 ZINC000420324377 296175347 /nfs/dbraw/zinc/17/53/47/296175347.db2.gz VCOQNJQYRHADKY-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H](c1ccc(F)cc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323173 296175406 /nfs/dbraw/zinc/17/54/06/296175406.db2.gz FUJRZEYWPYQZBN-STQMWFEESA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1ccc(F)cc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323173 296175407 /nfs/dbraw/zinc/17/54/07/296175407.db2.gz FUJRZEYWPYQZBN-STQMWFEESA-N 2 1 310.388 2.713 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)c(OC)c1 ZINC000420324381 296175451 /nfs/dbraw/zinc/17/54/51/296175451.db2.gz VCOQNJQYRHADKY-WMLDXEAASA-N 2 1 304.434 2.840 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000420321554 296174823 /nfs/dbraw/zinc/17/48/23/296174823.db2.gz CTKCKCWRINFASE-RDBSUJKOSA-N 2 1 309.479 2.672 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420321064 296174883 /nfs/dbraw/zinc/17/48/83/296174883.db2.gz CFPXGQYLKHEYKU-DLBZAZTESA-N 2 1 318.461 2.786 20 0 DFADMP CC[N@@H+](Cc1cccc(F)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420321755 296174909 /nfs/dbraw/zinc/17/49/09/296174909.db2.gz RPTCVXGVXWPFFB-OALUTQOASA-N 2 1 316.420 2.579 20 0 DFADMP CC[N@H+](Cc1cccc(F)c1)C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000420321755 296174911 /nfs/dbraw/zinc/17/49/11/296174911.db2.gz RPTCVXGVXWPFFB-OALUTQOASA-N 2 1 316.420 2.579 20 0 DFADMP CCc1nnc([C@H](C)[NH+]2CCC(OCC[NH+](CC)CC)CC2)o1 ZINC000080650448 399166124 /nfs/dbraw/zinc/16/61/24/399166124.db2.gz CVSGGKWNPUAGPL-AWEZNQCLSA-N 2 1 324.469 2.516 20 0 DFADMP CSc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000271735134 209166888 /nfs/dbraw/zinc/16/68/88/209166888.db2.gz UZQQTWPYMDAHNC-UHFFFAOYSA-N 2 1 321.534 2.866 20 0 DFADMP COc1ccc(Cl)c(C[N@@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420330065 296176008 /nfs/dbraw/zinc/17/60/08/296176008.db2.gz PJKPZFUIBVPMAA-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP COc1ccc(Cl)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c1 ZINC000420330065 296176009 /nfs/dbraw/zinc/17/60/09/296176009.db2.gz PJKPZFUIBVPMAA-CQSZACIVSA-N 2 1 324.852 2.536 20 0 DFADMP C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328662 296176099 /nfs/dbraw/zinc/17/60/99/296176099.db2.gz MQYASEJCRQCSOV-STQMWFEESA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328662 296176100 /nfs/dbraw/zinc/17/61/00/296176100.db2.gz MQYASEJCRQCSOV-STQMWFEESA-N 2 1 310.388 2.713 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420335897 296177112 /nfs/dbraw/zinc/17/71/12/296177112.db2.gz IANLZZKOLVBYLM-KSZLIROESA-N 2 1 323.525 2.639 20 0 DFADMP c1csc(-c2cnc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000420338048 296177115 /nfs/dbraw/zinc/17/71/15/296177115.db2.gz NQVSTNZYIYYJAI-BETUJISGSA-N 2 1 303.431 2.835 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+]([C@@H]2CCCc3ccccc32)CC12CCOCC2 ZINC000420336663 296177026 /nfs/dbraw/zinc/17/70/26/296177026.db2.gz WCCLJPQBJKGJPK-SJLPKXTDSA-N 2 1 300.446 2.751 20 0 DFADMP C[C@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420345177 296177971 /nfs/dbraw/zinc/17/79/71/296177971.db2.gz ZFSKGGLYHYIYEV-XPKDYRNWSA-N 2 1 321.465 2.861 20 0 DFADMP CC(C)(C)c1csc(C[NH+]2CCC([C@@H]3OCC[C@H]3[NH3+])CC2)n1 ZINC000420344325 296178032 /nfs/dbraw/zinc/17/80/32/296178032.db2.gz XSIMPWGBZLNEQK-CJNGLKHVSA-N 2 1 323.506 2.769 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420343904 296177731 /nfs/dbraw/zinc/17/77/31/296177731.db2.gz RRIGSBAQUKIVKB-DLBZAZTESA-N 2 1 315.461 2.509 20 0 DFADMP c1csc(-c2noc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)n2)c1 ZINC000420346037 296178258 /nfs/dbraw/zinc/17/82/58/296178258.db2.gz XGMVXJLNJJNMRG-OLZOCXBDSA-N 2 1 318.446 2.620 20 0 DFADMP CCc1ccccc1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000420346489 296178560 /nfs/dbraw/zinc/17/85/60/296178560.db2.gz YKPPRTPROTWLDK-KRWDZBQOSA-N 2 1 315.461 2.652 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000062426890 399169884 /nfs/dbraw/zinc/16/98/84/399169884.db2.gz FHNBRYFADKQBRE-INIZCTEOSA-N 2 1 310.445 2.964 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000062426890 399169887 /nfs/dbraw/zinc/16/98/87/399169887.db2.gz FHNBRYFADKQBRE-INIZCTEOSA-N 2 1 310.445 2.964 20 0 DFADMP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000420365593 296180749 /nfs/dbraw/zinc/18/07/49/296180749.db2.gz FAFRZOSEKMDHGE-IAGOWNOFSA-N 2 1 312.461 2.890 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@@H+](C)C[C@H]2C)o1 ZINC000607516253 399172799 /nfs/dbraw/zinc/17/27/99/399172799.db2.gz FXOURLIUTUXNRL-GDBMZVCRSA-N 2 1 321.465 2.534 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc(Cl)c1 ZINC000420367388 296181105 /nfs/dbraw/zinc/18/11/05/296181105.db2.gz KAZKSUSWILBDHL-KRWDZBQOSA-N 2 1 321.852 2.744 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420376572 296182881 /nfs/dbraw/zinc/18/28/81/296182881.db2.gz PHXYDPLKOFBHQJ-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@]2(CC[NH2+]C2)C1 ZINC000420376572 296182882 /nfs/dbraw/zinc/18/28/82/296182882.db2.gz PHXYDPLKOFBHQJ-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH2+][C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420376152 296182915 /nfs/dbraw/zinc/18/29/15/296182915.db2.gz UTQCZRGWGLLXIO-PBFPGSCMSA-N 2 1 321.490 2.713 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342090719 284324703 /nfs/dbraw/zinc/32/47/03/284324703.db2.gz BUIFPUKSJUCGIK-VOAKCMCISA-N 2 1 318.446 2.918 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342090719 284324707 /nfs/dbraw/zinc/32/47/07/284324707.db2.gz BUIFPUKSJUCGIK-VOAKCMCISA-N 2 1 318.446 2.918 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(C)c1OC ZINC000342090610 284324710 /nfs/dbraw/zinc/32/47/10/284324710.db2.gz VZSKQEOTKZTXDR-CQSZACIVSA-N 2 1 304.434 2.586 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420395608 296185729 /nfs/dbraw/zinc/18/57/29/296185729.db2.gz DODIFRURUGGBAR-KGLIPLIRSA-N 2 1 321.490 2.654 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)NCC1CCCCC1 ZINC000420395054 296185892 /nfs/dbraw/zinc/18/58/92/296185892.db2.gz KQGOFKQUOAHLOW-ZWKOTPCHSA-N 2 1 321.509 2.537 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000420402488 296186515 /nfs/dbraw/zinc/18/65/15/296186515.db2.gz QOWUDCNBVBWRFM-AEFFLSMTSA-N 2 1 301.434 2.609 20 0 DFADMP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000601007333 399201073 /nfs/dbraw/zinc/20/10/73/399201073.db2.gz DUZUYBBSRDJJNQ-ROUUACIJSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC000601007333 399201076 /nfs/dbraw/zinc/20/10/76/399201076.db2.gz DUZUYBBSRDJJNQ-ROUUACIJSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC000601007333 399201077 /nfs/dbraw/zinc/20/10/77/399201077.db2.gz DUZUYBBSRDJJNQ-ROUUACIJSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000601007333 399201080 /nfs/dbraw/zinc/20/10/80/399201080.db2.gz DUZUYBBSRDJJNQ-ROUUACIJSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+]1CC[C@@H](C(=O)Nc2ccccc2-c2ncc3n2CCCC3)C1 ZINC000614353916 399216116 /nfs/dbraw/zinc/21/61/16/399216116.db2.gz PPTQEZXEFJQVAD-CQSZACIVSA-N 2 1 324.428 2.777 20 0 DFADMP COCC[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)C ZINC000420898267 296209572 /nfs/dbraw/zinc/20/95/72/296209572.db2.gz CHZJVCIIYNUYHV-UHFFFAOYSA-N 2 1 320.477 2.623 20 0 DFADMP COCC[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)CC(C)C ZINC000420898267 296209573 /nfs/dbraw/zinc/20/95/73/296209573.db2.gz CHZJVCIIYNUYHV-UHFFFAOYSA-N 2 1 320.477 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000420916697 296211800 /nfs/dbraw/zinc/21/18/00/296211800.db2.gz PAZHAAVVRNVFSQ-YSHGAJCASA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)C[C@H]2C[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000420916697 296211801 /nfs/dbraw/zinc/21/18/01/296211801.db2.gz PAZHAAVVRNVFSQ-YSHGAJCASA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000420916697 296211802 /nfs/dbraw/zinc/21/18/02/296211802.db2.gz PAZHAAVVRNVFSQ-YSHGAJCASA-N 2 1 302.462 2.742 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)C[C@H]2C[C@@H](O)C2)CC[NH+]1Cc1ccccc1 ZINC000420916697 296211803 /nfs/dbraw/zinc/21/18/03/296211803.db2.gz PAZHAAVVRNVFSQ-YSHGAJCASA-N 2 1 302.462 2.742 20 0 DFADMP CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922143 296212781 /nfs/dbraw/zinc/21/27/81/296212781.db2.gz NGYRKUSUTGXCTA-OALUTQOASA-N 2 1 318.461 2.566 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000420969786 296219527 /nfs/dbraw/zinc/21/95/27/296219527.db2.gz YRDGHUHPOBEALE-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000420969786 296219528 /nfs/dbraw/zinc/21/95/28/296219528.db2.gz YRDGHUHPOBEALE-LJQANCHMSA-N 2 1 318.461 2.520 20 0 DFADMP CC(C)[N@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000420980673 296220319 /nfs/dbraw/zinc/22/03/19/296220319.db2.gz XGNMYOFAJUDJEQ-LJQANCHMSA-N 2 1 318.461 2.518 20 0 DFADMP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCOCC2)cc1)[C@@H]1CCOC1 ZINC000420980673 296220320 /nfs/dbraw/zinc/22/03/20/296220320.db2.gz XGNMYOFAJUDJEQ-LJQANCHMSA-N 2 1 318.461 2.518 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3cccc(C)c3)CC2)CC1 ZINC000421004401 296223681 /nfs/dbraw/zinc/22/36/81/296223681.db2.gz IEAKZZSWQXZSIG-UHFFFAOYSA-N 2 1 315.505 2.987 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000421028421 296228165 /nfs/dbraw/zinc/22/81/65/296228165.db2.gz UOLHOBGZEVGAHG-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000421028421 296228166 /nfs/dbraw/zinc/22/81/66/296228166.db2.gz UOLHOBGZEVGAHG-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000421028421 296228167 /nfs/dbraw/zinc/22/81/67/296228167.db2.gz UOLHOBGZEVGAHG-BZUAXINKSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@H]2CCC[NH+]2C)C1 ZINC000421028823 296228443 /nfs/dbraw/zinc/22/84/43/296228443.db2.gz UOLHOBGZEVGAHG-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](CC[C@H]2CCC[N@@H+]2C)C1 ZINC000421028823 296228444 /nfs/dbraw/zinc/22/84/44/296228444.db2.gz UOLHOBGZEVGAHG-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@H](C(=O)OC(C)(C)C)C[NH+](CC[C@H]2CCC[N@H+]2C)C1 ZINC000421028823 296228445 /nfs/dbraw/zinc/22/84/45/296228445.db2.gz UOLHOBGZEVGAHG-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)CC[N@H+]1C ZINC000622555322 399259775 /nfs/dbraw/zinc/25/97/75/399259775.db2.gz SRWGTHQATIQKNE-QZTJIDSGSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC[NH+]1C ZINC000622555322 399259778 /nfs/dbraw/zinc/25/97/78/399259778.db2.gz SRWGTHQATIQKNE-QZTJIDSGSA-N 2 1 321.509 2.582 20 0 DFADMP CC(C)[C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC[NH+]1C ZINC000622555322 399259780 /nfs/dbraw/zinc/25/97/80/399259780.db2.gz SRWGTHQATIQKNE-QZTJIDSGSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H](C)[NH+]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000622658083 399265409 /nfs/dbraw/zinc/26/54/09/399265409.db2.gz PJAXGBOJILYHGE-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2nc3c(s2)C[N@@H+](C(C)C)CC3)CCO1 ZINC000421391415 296251824 /nfs/dbraw/zinc/25/18/24/296251824.db2.gz UGTVCYRWNTYPQR-UONOGXRCSA-N 2 1 323.506 2.957 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)CCO1 ZINC000421391415 296251826 /nfs/dbraw/zinc/25/18/26/296251826.db2.gz UGTVCYRWNTYPQR-UONOGXRCSA-N 2 1 323.506 2.957 20 0 DFADMP COC(=O)c1coc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000609133550 399304714 /nfs/dbraw/zinc/30/47/14/399304714.db2.gz UMIUEESWTUYLQV-UHFFFAOYSA-N 2 1 308.422 2.618 20 0 DFADMP C[N@@H+](Cc1cc(Br)cs1)C[C@H]1CCC[NH2+]C1 ZINC000042402359 183264617 /nfs/dbraw/zinc/26/46/17/183264617.db2.gz UZOWEMRLYJCARP-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP C[N@H+](Cc1cc(Br)cs1)C[C@H]1CCC[NH2+]C1 ZINC000042402359 183264619 /nfs/dbraw/zinc/26/46/19/183264619.db2.gz UZOWEMRLYJCARP-JTQLQIEISA-N 2 1 303.269 2.942 20 0 DFADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000609635919 399327883 /nfs/dbraw/zinc/32/78/83/399327883.db2.gz XLNMMHPSZVAIPE-HOTGVXAUSA-N 2 1 319.449 2.856 20 0 DFADMP Clc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)s1 ZINC000051958810 425883588 /nfs/dbraw/zinc/88/35/88/425883588.db2.gz NLOUKEDRBRJFAY-UHFFFAOYSA-N 2 1 314.882 2.946 20 0 DFADMP COC(=O)[C@H](c1ccccc1)N1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000609799082 399332087 /nfs/dbraw/zinc/33/20/87/399332087.db2.gz IZUCCAAQCBGDRF-IRXDYDNUSA-N 2 1 313.401 2.743 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882570 209292437 /nfs/dbraw/zinc/29/24/37/209292437.db2.gz VMLKWHQZMUEKPZ-PBHICJAKSA-N 2 1 300.450 2.735 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882570 209292438 /nfs/dbraw/zinc/29/24/38/209292438.db2.gz VMLKWHQZMUEKPZ-PBHICJAKSA-N 2 1 300.450 2.735 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)ncn3C)[C@H](C)C1 ZINC000271882570 209292440 /nfs/dbraw/zinc/29/24/40/209292440.db2.gz VMLKWHQZMUEKPZ-PBHICJAKSA-N 2 1 300.450 2.735 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)nc(C)c2)[C@@H](C)C1 ZINC000421879459 296278579 /nfs/dbraw/zinc/27/85/79/296278579.db2.gz NEWDAWXDVLQENE-KXBFYZLASA-N 2 1 319.493 2.925 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cnc(C(C)(C)C)nc1 ZINC000284417700 218019295 /nfs/dbraw/zinc/01/92/95/218019295.db2.gz QYONXTBDQCTLPC-UHFFFAOYSA-N 2 1 301.438 2.849 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000284654216 218117848 /nfs/dbraw/zinc/11/78/48/218117848.db2.gz FKZGWISGDGEHSE-SFHVURJKSA-N 2 1 317.433 2.958 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+]CCn2cc[nH+]c2C)cc1 ZINC000284763795 218166962 /nfs/dbraw/zinc/16/69/62/218166962.db2.gz MLULFUDTVGTSSX-KRWDZBQOSA-N 2 1 303.406 2.568 20 0 DFADMP C[NH+](C)[C@@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335824 399365097 /nfs/dbraw/zinc/36/50/97/399365097.db2.gz GLTLEEACZNAIRF-ZWKOTPCHSA-N 2 1 303.494 2.622 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC1CC1 ZINC000623356474 399370983 /nfs/dbraw/zinc/37/09/83/399370983.db2.gz SELGQVUGPCYMLT-HNNXBMFYSA-N 2 1 316.445 2.810 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1(C)C ZINC000623356570 399371256 /nfs/dbraw/zinc/37/12/56/399371256.db2.gz XHLLEGJWNVXETO-SFHVURJKSA-N 2 1 312.461 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)CC1(C)C ZINC000623356570 399371259 /nfs/dbraw/zinc/37/12/59/399371259.db2.gz XHLLEGJWNVXETO-SFHVURJKSA-N 2 1 312.461 2.894 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623359785 399371789 /nfs/dbraw/zinc/37/17/89/399371789.db2.gz AVXJWQQSQOKFRK-QGZVFWFLSA-N 2 1 317.477 2.789 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623359785 399371790 /nfs/dbraw/zinc/37/17/90/399371790.db2.gz AVXJWQQSQOKFRK-QGZVFWFLSA-N 2 1 317.477 2.789 20 0 DFADMP CCSCC[NH2+]Cc1ccccc1C[NH+]1CCN(CC)CC1 ZINC000273803293 211071409 /nfs/dbraw/zinc/07/14/09/211071409.db2.gz VXUVJUOWDPPCHO-UHFFFAOYSA-N 2 1 321.534 2.667 20 0 DFADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000105915553 194169019 /nfs/dbraw/zinc/16/90/19/194169019.db2.gz JEEIAUDDWGZEBQ-INIZCTEOSA-N 2 1 320.477 2.610 20 0 DFADMP COc1ccc(OCCC[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623374985 399375012 /nfs/dbraw/zinc/37/50/12/399375012.db2.gz YAFFXODSQHDHEL-HNNXBMFYSA-N 2 1 306.450 2.927 20 0 DFADMP C[C@@H]1Cc2ccccc2N1CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380516 399376138 /nfs/dbraw/zinc/37/61/38/399376138.db2.gz BSQSXXFCBSCQEH-WBVHZDCISA-N 2 1 301.478 2.900 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)CC1(C)C ZINC000623370874 399374047 /nfs/dbraw/zinc/37/40/47/399374047.db2.gz CBKSRWRFEQKLTO-SFHVURJKSA-N 2 1 312.461 2.894 20 0 DFADMP C[NH+](C)C[C@H](Cc1ccccc1)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370438 399374443 /nfs/dbraw/zinc/37/44/43/399374443.db2.gz KAVVDHMBBCFDEJ-ROUUACIJSA-N 2 1 303.494 2.622 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCN2CCCc3ccccc32)CC1(C)C ZINC000623381278 399376553 /nfs/dbraw/zinc/37/65/53/399376553.db2.gz KXPUBPIIQGKGHZ-QGZVFWFLSA-N 2 1 301.478 2.902 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCCC[C@@H]2C)n1C ZINC000602004040 399380527 /nfs/dbraw/zinc/38/05/27/399380527.db2.gz JQEIHMKLHFPWCM-HNNXBMFYSA-N 2 1 321.465 2.556 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH2+]CC[C@H]([NH3+])Cc2ccccc2)c1 ZINC000602023008 399385942 /nfs/dbraw/zinc/38/59/42/399385942.db2.gz VRRKGGXYWOBMOQ-CJNGLKHVSA-N 2 1 316.401 2.677 20 0 DFADMP COC(=O)c1cc(CN2CCC[C@@H](n3ccnc3)C2)c(C)s1 ZINC000610681521 399392791 /nfs/dbraw/zinc/39/27/91/399392791.db2.gz JOFJOVMNKCIXHZ-CQSZACIVSA-N 2 1 319.430 2.877 20 0 DFADMP CC[N@H+](CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000268838821 207002089 /nfs/dbraw/zinc/00/20/89/207002089.db2.gz MDTWJLPJEMBSOM-MRXNPFEDSA-N 2 1 319.493 2.762 20 0 DFADMP CC[N@@H+](CCN[C@H](C)c1cccc(OCC[NH+](C)C)c1)C1CC1 ZINC000268838821 207002093 /nfs/dbraw/zinc/00/20/93/207002093.db2.gz MDTWJLPJEMBSOM-MRXNPFEDSA-N 2 1 319.493 2.762 20 0 DFADMP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C(C)(C)CC[NH3+] ZINC000422561624 296312568 /nfs/dbraw/zinc/31/25/68/296312568.db2.gz MLOJNEALWPDCDH-UHFFFAOYSA-N 2 1 314.355 2.809 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@@H]3C)cnc21 ZINC000422559674 296312231 /nfs/dbraw/zinc/31/22/31/296312231.db2.gz DTBAFCKCCAQPMY-KEYYUXOJSA-N 2 1 315.465 2.817 20 0 DFADMP COc1ccc(Br)c(C[NH2+]C(C)(C)CC[NH3+])c1 ZINC000422565709 296313424 /nfs/dbraw/zinc/31/34/24/296313424.db2.gz ZSXKYMLHONMRAD-UHFFFAOYSA-N 2 1 301.228 2.675 20 0 DFADMP C[N@H+]1CC[C@H](N[C@H]2CC[NH+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397691 /nfs/dbraw/zinc/39/76/91/399397691.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CC[C@H](N[C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397693 /nfs/dbraw/zinc/39/76/93/399397693.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 2 1 301.478 2.894 20 0 DFADMP C[NH+]1CC[C@H](N[C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397694 /nfs/dbraw/zinc/39/76/94/399397694.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 2 1 301.478 2.894 20 0 DFADMP CN1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397696 /nfs/dbraw/zinc/39/76/96/399397696.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 2 1 301.478 2.894 20 0 DFADMP CN1CC[C@H]([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)[C@H]1c1ccccc1 ZINC000623475525 399397697 /nfs/dbraw/zinc/39/76/97/399397697.db2.gz PZAZQMUGPCOEAE-OKZBNKHCSA-N 2 1 301.478 2.894 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268866828 207035467 /nfs/dbraw/zinc/03/54/67/207035467.db2.gz HNVDIKPGAAXXRU-GOSISDBHSA-N 2 1 304.478 2.690 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCSc3ccccc32)CC1 ZINC000268869711 207040480 /nfs/dbraw/zinc/04/04/80/207040480.db2.gz UVEDDQRFTCUWAB-MRXNPFEDSA-N 2 1 306.475 2.660 20 0 DFADMP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000268891462 207060163 /nfs/dbraw/zinc/06/01/63/207060163.db2.gz JUTUIDGGNIWLFM-OSGQAZFXSA-N 2 1 320.477 2.826 20 0 DFADMP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1cccc(C[N@@H+](C)CC)c1 ZINC000268899743 207069876 /nfs/dbraw/zinc/06/98/76/207069876.db2.gz MCPUUCSZIMEXTP-MRXNPFEDSA-N 2 1 319.493 2.875 20 0 DFADMP CCn1cc([C@H]2OCCC[C@@H]2[NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623499018 399402389 /nfs/dbraw/zinc/40/23/89/399402389.db2.gz PSPOUYGEPSYPII-YESZJQIVSA-N 2 1 320.481 2.586 20 0 DFADMP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@@H](C)[N@H+](C)C[C@@H]3C)nc21 ZINC000268916853 207082305 /nfs/dbraw/zinc/08/23/05/207082305.db2.gz JEAFCGQNSAVOQN-RRFJBIMHSA-N 2 1 301.434 2.997 20 0 DFADMP CC[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422702572 296318561 /nfs/dbraw/zinc/31/85/61/296318561.db2.gz LBWSIDXHQQTZMK-MOPGFXCFSA-N 2 1 315.505 2.944 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000268926935 207093688 /nfs/dbraw/zinc/09/36/88/207093688.db2.gz YJOUACZWPXBUOR-NXWXRZEISA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000268926935 207093691 /nfs/dbraw/zinc/09/36/91/207093691.db2.gz YJOUACZWPXBUOR-NXWXRZEISA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cc1F ZINC000268929650 207095001 /nfs/dbraw/zinc/09/50/01/207095001.db2.gz QIZKNDCRPYBYOJ-DZGCQCFKSA-N 2 1 312.404 2.852 20 0 DFADMP CCN(CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)CCC(F)(F)F ZINC000623506791 399403989 /nfs/dbraw/zinc/40/39/89/399403989.db2.gz HXUSZMRSQNYLOT-ZDUSSCGKSA-N 2 1 309.420 2.723 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268921999 207088781 /nfs/dbraw/zinc/08/87/81/207088781.db2.gz XBJSOXOPGOYOCB-OGWHTMIXSA-N 2 1 304.478 2.894 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cccc2F ZINC000268945617 207108950 /nfs/dbraw/zinc/10/89/50/207108950.db2.gz UFJCFLJSJMUZNQ-KSSFIOAISA-N 2 1 306.425 2.640 20 0 DFADMP C[C@@H](NC[C@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422718534 296320942 /nfs/dbraw/zinc/32/09/42/296320942.db2.gz PWAXDVLAWVLGKX-RLLQIKCJSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@H]([NH2+]CCCN(C)c1ccccc1F)c1c[nH+]ccc1N ZINC000422719417 296320961 /nfs/dbraw/zinc/32/09/61/296320961.db2.gz RCPLXQAALROQFD-ZDUSSCGKSA-N 2 1 302.397 2.810 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)C[NH+]1CCCCC1 ZINC000422717091 296320975 /nfs/dbraw/zinc/32/09/75/296320975.db2.gz VJOIERZLHZWAFG-CABCVRRESA-N 3 1 304.482 2.621 20 0 DFADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422718527 296321096 /nfs/dbraw/zinc/32/10/96/296321096.db2.gz PVYBKZBSOJFJDD-RTBURBONSA-N 3 1 319.493 2.767 20 0 DFADMP CC[C@H](NC[C@H](C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422714536 296320682 /nfs/dbraw/zinc/32/06/82/296320682.db2.gz LAEUDFQBQBFEIS-SNRMKQJTSA-N 2 1 301.478 2.553 20 0 DFADMP COc1ccc(C[NH2+][C@@H](C)C2C[NH2+]C2)cc1OC1CCCC1 ZINC000422716595 296320901 /nfs/dbraw/zinc/32/09/01/296320901.db2.gz UNNZBOGNXYOVOK-ZDUSSCGKSA-N 2 1 304.434 2.714 20 0 DFADMP CCN(CC)C[C@H](C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422720740 296321290 /nfs/dbraw/zinc/32/12/90/296321290.db2.gz SZTQGYUOOIRPRX-KVSKMBFKSA-N 2 1 317.477 2.562 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cn1 ZINC000623561110 399416381 /nfs/dbraw/zinc/41/63/81/399416381.db2.gz BLPVVRURQVVRAT-ZACQAIPSSA-N 2 1 320.481 2.756 20 0 DFADMP CC(C)n1cc([C@@H]2OCC[C@H]2[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cn1 ZINC000623561110 399416383 /nfs/dbraw/zinc/41/63/83/399416383.db2.gz BLPVVRURQVVRAT-ZACQAIPSSA-N 2 1 320.481 2.756 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(OC(C)C)cc2)[C@H](C)C1 ZINC000268971030 207135014 /nfs/dbraw/zinc/13/50/14/207135014.db2.gz ZYBQGBDIXFVIHQ-MNEFBYGVSA-N 2 1 320.477 2.827 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@]2(O)CCSC2)cc1 ZINC000268986472 207145785 /nfs/dbraw/zinc/14/57/85/207145785.db2.gz QGHLWNVGJIOHPQ-CXAGYDPISA-N 2 1 317.458 2.699 20 0 DFADMP C[C@@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000422734373 296323375 /nfs/dbraw/zinc/32/33/75/296323375.db2.gz CQNYNUHPGGPHCA-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP CCOC(=O)CC[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000611036224 399430037 /nfs/dbraw/zinc/43/00/37/399430037.db2.gz FIFILSUULAGNGS-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP CCOC(=O)CC[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000611036224 399430039 /nfs/dbraw/zinc/43/00/39/399430039.db2.gz FIFILSUULAGNGS-SJORKVTESA-N 2 1 310.482 2.916 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)s2)cn1 ZINC000623656933 399436386 /nfs/dbraw/zinc/43/63/86/399436386.db2.gz FYHDGGYFLDDELZ-AWEZNQCLSA-N 2 1 318.490 2.970 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000623655819 399436397 /nfs/dbraw/zinc/43/63/97/399436397.db2.gz GJEQFDSPKCMUBI-CYBMUJFWSA-N 2 1 306.841 2.809 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc3ccc(Cl)cn23)C1 ZINC000623655819 399436399 /nfs/dbraw/zinc/43/63/99/399436399.db2.gz GJEQFDSPKCMUBI-CYBMUJFWSA-N 2 1 306.841 2.809 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)C1 ZINC000623655830 399437011 /nfs/dbraw/zinc/43/70/11/399437011.db2.gz GSVGXOFVSJLFLQ-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1CCCC[N@@H+](C)C1 ZINC000623655643 399437383 /nfs/dbraw/zinc/43/73/83/399437383.db2.gz AZOAMXRMCGLOAM-HZPDHXFCSA-N 2 1 303.450 2.725 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623749180 399457964 /nfs/dbraw/zinc/45/79/64/399457964.db2.gz XTOQIYDGQOCGBZ-OKZBNKHCSA-N 2 1 300.446 2.544 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000623749180 399457965 /nfs/dbraw/zinc/45/79/65/399457965.db2.gz XTOQIYDGQOCGBZ-OKZBNKHCSA-N 2 1 300.446 2.544 20 0 DFADMP COC(=O)C(C)(C)[C@@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000611322970 399462314 /nfs/dbraw/zinc/46/23/14/399462314.db2.gz ILVCBTGNVQPSPZ-CVEARBPZSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)C(C)(C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000611322970 399462316 /nfs/dbraw/zinc/46/23/16/399462316.db2.gz ILVCBTGNVQPSPZ-CVEARBPZSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)C(C)(C)[C@@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000611322970 399462317 /nfs/dbraw/zinc/46/23/17/399462317.db2.gz ILVCBTGNVQPSPZ-CVEARBPZSA-N 2 1 310.482 2.772 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCN(c2ccc(F)cc2)CC1 ZINC000269124714 207259270 /nfs/dbraw/zinc/25/92/70/207259270.db2.gz BOQRFXZSUAIPJI-UHFFFAOYSA-N 2 1 302.397 2.543 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000063165828 184275360 /nfs/dbraw/zinc/27/53/60/184275360.db2.gz AZZYOPDZBIOTCF-UHFFFAOYSA-N 2 1 302.447 2.637 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137068 207268609 /nfs/dbraw/zinc/26/86/09/207268609.db2.gz UHXCYVJMQQWIHV-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137068 207268613 /nfs/dbraw/zinc/26/86/13/207268613.db2.gz UHXCYVJMQQWIHV-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccc(-n3ccnc3)cc2)C1 ZINC000269137068 207268616 /nfs/dbraw/zinc/26/86/16/207268616.db2.gz UHXCYVJMQQWIHV-PKOBYXMFSA-N 2 1 310.445 2.788 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000269184400 207303281 /nfs/dbraw/zinc/30/32/81/207303281.db2.gz FOIYHHAMHNJQOS-LJQANCHMSA-N 2 1 323.440 2.964 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1 ZINC000269184400 207303284 /nfs/dbraw/zinc/30/32/84/207303284.db2.gz FOIYHHAMHNJQOS-LJQANCHMSA-N 2 1 323.440 2.964 20 0 DFADMP CC[C@H](NC[C@@H](c1ccccc1OC)[NH+](C)C)[C@@H]1CCCC[NH2+]1 ZINC000422740666 296324400 /nfs/dbraw/zinc/32/44/00/296324400.db2.gz CGJDXTMMVKSYLF-BZSNNMDCSA-N 2 1 319.493 2.808 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](CN[C@H](Cc2ccccc2)[C@H](C)[NH3+])C1 ZINC000422737172 296324036 /nfs/dbraw/zinc/32/40/36/296324036.db2.gz HTHPVWXBKKSOJW-YTQUADARSA-N 2 1 303.494 2.655 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422740770 296324495 /nfs/dbraw/zinc/32/44/95/296324495.db2.gz NEAVPSSHOBPAGI-PBWTXFEYSA-N 2 1 301.478 2.942 20 0 DFADMP COC(=O)c1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[nH]c1C ZINC000602544143 399471503 /nfs/dbraw/zinc/47/15/03/399471503.db2.gz IGSSUZDWVMUATF-OAHLLOKOSA-N 2 1 309.454 2.566 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCCC1 ZINC000422737261 296324167 /nfs/dbraw/zinc/32/41/67/296324167.db2.gz ZKLJERWRYCLRSO-NEWSRXKRSA-N 2 1 301.478 2.801 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@]3(C)CC[NH2+]C3)cc2)C1 ZINC000269226870 207347537 /nfs/dbraw/zinc/34/75/37/207347537.db2.gz FGKBMJVVZRGPLT-HNAYVOBHSA-N 2 1 315.461 2.857 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000623823997 399473153 /nfs/dbraw/zinc/47/31/53/399473153.db2.gz SGGXDKIYRMNCFH-UWUNEBHHSA-N 2 1 320.452 2.847 20 0 DFADMP CCN(CC)[C@@H](C[NH2+][C@H](C)C1C[NH2+]C1)c1ccccc1Cl ZINC000422748922 296325636 /nfs/dbraw/zinc/32/56/36/296325636.db2.gz WTJRSZIWIMTEJO-DYVFJYSZSA-N 2 1 309.885 2.920 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422744900 296325303 /nfs/dbraw/zinc/32/53/03/296325303.db2.gz UIQCLGVMDFLKMK-SLFFLAALSA-N 2 1 310.441 2.673 20 0 DFADMP CCOc1cc(CCC[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)ccc1OC ZINC000422753511 296326802 /nfs/dbraw/zinc/32/68/02/296326802.db2.gz IMNPBGNMACLETF-GOEBONIOSA-N 2 1 306.450 2.614 20 0 DFADMP COc1ccc([C@H](CN[C@H](C)C[C@@H](C)[NH3+])[NH+]2CCCC2)cc1 ZINC000422764196 296329157 /nfs/dbraw/zinc/32/91/57/296329157.db2.gz UWFDYSJMYDWVRX-RKVPGOIHSA-N 2 1 305.466 2.548 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CC1(c2cccc(Cl)c2)CCOCC1 ZINC000422763971 296329221 /nfs/dbraw/zinc/32/92/21/296329221.db2.gz PDGRJZLYWWGPAW-PBHICJAKSA-N 2 1 322.880 2.976 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422765218 296329235 /nfs/dbraw/zinc/32/92/35/296329235.db2.gz QPVIBZJZOCWMKP-OIISXLGYSA-N 2 1 305.441 2.833 20 0 DFADMP Fc1ccc([C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]2CCCO2)cc1 ZINC000422787560 296332979 /nfs/dbraw/zinc/33/29/79/296332979.db2.gz ROPCXSCITZGBLE-ZFHLEULCSA-N 2 1 304.409 2.918 20 0 DFADMP CC[C@@H]([NH2+]CCc1ccc(OC)cc1OC)[C@H]1CCCC[NH2+]1 ZINC000422790195 296333403 /nfs/dbraw/zinc/33/34/03/296333403.db2.gz XIVPEUOULRSCFU-IAGOWNOFSA-N 2 1 306.450 2.757 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000422796155 296334462 /nfs/dbraw/zinc/33/44/62/296334462.db2.gz IXGZIYLOQREHOL-FFZOFVMBSA-N 2 1 315.505 2.799 20 0 DFADMP C[C@@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCC[NH2+]1 ZINC000422795750 296334548 /nfs/dbraw/zinc/33/45/48/296334548.db2.gz WOMBRDFTTZKICW-KDOFPFPSSA-N 2 1 316.424 2.674 20 0 DFADMP C[C@H]([NH2+]CCc1ccn(-c2ccc(F)cc2)n1)[C@@H]1CCCC[NH2+]1 ZINC000422795751 296334569 /nfs/dbraw/zinc/33/45/69/296334569.db2.gz WOMBRDFTTZKICW-KSSFIOAISA-N 2 1 316.424 2.674 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000422794680 296334226 /nfs/dbraw/zinc/33/42/26/296334226.db2.gz ZDUWXHUURMDRJD-GJZGRUSLSA-N 2 1 304.482 2.620 20 0 DFADMP CC[C@@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422801471 296335586 /nfs/dbraw/zinc/33/55/86/296335586.db2.gz BZKJSABIYSSHRS-ZYSHUDEJSA-N 2 1 301.478 2.553 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797256 296334920 /nfs/dbraw/zinc/33/49/20/296334920.db2.gz LSAJRYRQZCPWON-BHIYHBOVSA-N 2 1 319.493 2.795 20 0 DFADMP Cc1nc(N2CCOCC2)ccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623955387 399502751 /nfs/dbraw/zinc/50/27/51/399502751.db2.gz YMMASHSFPPLYTE-OAHLLOKOSA-N 2 1 318.465 2.511 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623955387 399502754 /nfs/dbraw/zinc/50/27/54/399502754.db2.gz YMMASHSFPPLYTE-OAHLLOKOSA-N 2 1 318.465 2.511 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623955387 399502758 /nfs/dbraw/zinc/50/27/58/399502758.db2.gz YMMASHSFPPLYTE-OAHLLOKOSA-N 2 1 318.465 2.511 20 0 DFADMP Cc1nc(N2CCOCC2)ccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623955386 399502785 /nfs/dbraw/zinc/50/27/85/399502785.db2.gz YMMASHSFPPLYTE-HNNXBMFYSA-N 2 1 318.465 2.511 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623955386 399502787 /nfs/dbraw/zinc/50/27/87/399502787.db2.gz YMMASHSFPPLYTE-HNNXBMFYSA-N 2 1 318.465 2.511 20 0 DFADMP Cc1[nH+]c(N2CCOCC2)ccc1N[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623955386 399502791 /nfs/dbraw/zinc/50/27/91/399502791.db2.gz YMMASHSFPPLYTE-HNNXBMFYSA-N 2 1 318.465 2.511 20 0 DFADMP CCc1ccc([C@@H](CC(C)C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000623960600 399504509 /nfs/dbraw/zinc/50/45/09/399504509.db2.gz BDVAWTMASJKTIX-MOPGFXCFSA-N 2 1 304.478 2.992 20 0 DFADMP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)CC1 ZINC000422810944 296337328 /nfs/dbraw/zinc/33/73/28/296337328.db2.gz VAAXREKSGHJIHR-OALUTQOASA-N 3 1 301.478 2.888 20 0 DFADMP CCc1ccc([C@H](CC(C)C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000623960602 399504468 /nfs/dbraw/zinc/50/44/68/399504468.db2.gz BDVAWTMASJKTIX-RBUKOAKNSA-N 2 1 304.478 2.992 20 0 DFADMP CCc1ccc([C@H](CC(C)C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000623960602 399504470 /nfs/dbraw/zinc/50/44/70/399504470.db2.gz BDVAWTMASJKTIX-RBUKOAKNSA-N 2 1 304.478 2.992 20 0 DFADMP CCc1ccc([C@@H](CC(C)C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000623960600 399504507 /nfs/dbraw/zinc/50/45/07/399504507.db2.gz BDVAWTMASJKTIX-MOPGFXCFSA-N 2 1 304.478 2.992 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(Cn3cncn3)cc2)c2ccccc21 ZINC000422814492 296337935 /nfs/dbraw/zinc/33/79/35/296337935.db2.gz VDGXOBSMUNLXHN-MOPGFXCFSA-N 2 1 319.412 2.561 20 0 DFADMP CC[C@H](NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812648 296337504 /nfs/dbraw/zinc/33/75/04/296337504.db2.gz YCLYXYHYFHNDPD-OALUTQOASA-N 2 1 301.478 2.555 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000422826672 296340028 /nfs/dbraw/zinc/34/00/28/296340028.db2.gz LRUZYFCXLFENGC-UHOSZYNNSA-N 2 1 301.478 2.720 20 0 DFADMP COC(=O)c1csc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1 ZINC000602661060 399507282 /nfs/dbraw/zinc/50/72/82/399507282.db2.gz CBSRQQCBVIEUFQ-AWEZNQCLSA-N 2 1 322.474 2.698 20 0 DFADMP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422839114 296342409 /nfs/dbraw/zinc/34/24/09/296342409.db2.gz ZFZNCTQXULWNRT-MSOLQXFVSA-N 2 1 312.461 2.733 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]Cc1ccc(-n2cnc3ccccc32)cc1 ZINC000422832442 296341286 /nfs/dbraw/zinc/34/12/86/296341286.db2.gz VBPDDGDJQSJVOV-DLBZAZTESA-N 2 1 306.413 2.995 20 0 DFADMP [NH3+][C@H]1CCCCC[C@@H]1NCC1([NH+]2CCSCC2)CCCC1 ZINC000422844086 296343393 /nfs/dbraw/zinc/34/33/93/296343393.db2.gz KTUPTJDIHXDOAR-HOTGVXAUSA-N 2 1 311.539 2.598 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000422860811 296346348 /nfs/dbraw/zinc/34/63/48/296346348.db2.gz LUVXPWIJOLFNTQ-ILXRZTDVSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422860811 296346350 /nfs/dbraw/zinc/34/63/50/296346350.db2.gz LUVXPWIJOLFNTQ-ILXRZTDVSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC[C@@H]2CCOC2)c1 ZINC000422871321 296347905 /nfs/dbraw/zinc/34/79/05/296347905.db2.gz YRBCLHCLBBLXOR-AEFFLSMTSA-N 2 1 318.461 2.642 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC[C@H]2CCOC2)c1 ZINC000422871322 296347957 /nfs/dbraw/zinc/34/79/57/296347957.db2.gz YRBCLHCLBBLXOR-FUHWJXTLSA-N 2 1 318.461 2.642 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)c1 ZINC000422872982 296348040 /nfs/dbraw/zinc/34/80/40/296348040.db2.gz JJKINCHJXFZFOF-SMDDNHRTSA-N 2 1 314.376 2.774 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000422866317 296347212 /nfs/dbraw/zinc/34/72/12/296347212.db2.gz QEGWQYJFSFOUKI-IFXJQAMLSA-N 2 1 311.429 2.693 20 0 DFADMP CCOc1cccc(C[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)c1OC(F)F ZINC000422873161 296348396 /nfs/dbraw/zinc/34/83/96/296348396.db2.gz KHVSFDKXHFJRFK-NWDGAFQWSA-N 2 1 314.376 2.774 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCC[NH2+]CC2)c(OC[C@@H]2CCCO2)c1 ZINC000422873132 296348401 /nfs/dbraw/zinc/34/84/01/296348401.db2.gz KCVFSSDYJDEEDJ-ROUUACIJSA-N 2 1 318.461 2.785 20 0 DFADMP C[C@H](N[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422873759 296348467 /nfs/dbraw/zinc/34/84/67/296348467.db2.gz MBFOMZVZAUHZIA-PBWTXFEYSA-N 2 1 301.478 2.770 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[NH2+]CC[C@@H]2C)[NH+]2CCCC2)o1 ZINC000422881158 296349933 /nfs/dbraw/zinc/34/99/33/296349933.db2.gz PQAPLZVNNJJCHR-XIRDDKMYSA-N 2 1 305.466 2.703 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422893936 296351802 /nfs/dbraw/zinc/35/18/02/296351802.db2.gz ROUYIUZGZUPOJY-RISCZKNCSA-N 2 1 302.340 2.715 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000422891959 296351504 /nfs/dbraw/zinc/35/15/04/296351504.db2.gz WZTHCQNMJNJXHI-KFWWJZLASA-N 2 1 304.482 2.762 20 0 DFADMP Clc1cccc(C[N@@H+]2CCCC[C@H]2CN[C@@H]2CC[NH2+]C2)c1 ZINC000422900262 296352901 /nfs/dbraw/zinc/35/29/01/296352901.db2.gz AESOQYCKJQZCIE-SJORKVTESA-N 2 1 307.869 2.646 20 0 DFADMP Clc1cccc(C[N@H+]2CCCC[C@H]2CN[C@@H]2CC[NH2+]C2)c1 ZINC000422900262 296352902 /nfs/dbraw/zinc/35/29/02/296352902.db2.gz AESOQYCKJQZCIE-SJORKVTESA-N 2 1 307.869 2.646 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1)c1c[nH+]ccc1N ZINC000422901836 296353155 /nfs/dbraw/zinc/35/31/55/296353155.db2.gz SJMZFJHDMROBKU-KBPBESRZSA-N 2 1 314.408 2.810 20 0 DFADMP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CCC[NH2+]CC2)cc1 ZINC000422893268 296351861 /nfs/dbraw/zinc/35/18/61/296351861.db2.gz PTMJJGBQFREQGN-GOSISDBHSA-N 2 1 319.493 2.639 20 0 DFADMP CC[C@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000422896443 296352278 /nfs/dbraw/zinc/35/22/78/296352278.db2.gz IHHCMPWKGNDBHF-QZTJIDSGSA-N 2 1 319.493 2.729 20 0 DFADMP C(NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@@H]1CCC[N@H+]1CC1CCCCC1 ZINC000422909709 296354724 /nfs/dbraw/zinc/35/47/24/296354724.db2.gz OVFAXEUEYOGZOK-SWDXFRIISA-N 2 1 305.510 2.904 20 0 DFADMP C[C@H]1C[C@@H](N(C)c2nc3ccccc3n3cncc23)CC[N@H+]1C ZINC000623992005 399516446 /nfs/dbraw/zinc/51/64/46/399516446.db2.gz ZCGHJNQHJDBLPB-KBPBESRZSA-N 2 1 309.417 2.801 20 0 DFADMP C[C@@H]([NH2+]CCc1ccccc1OC(F)(F)F)[C@H]1CCC[NH2+]1 ZINC000422931551 296356862 /nfs/dbraw/zinc/35/68/62/296356862.db2.gz XULGEMFFLOGRSY-DGCLKSJQSA-N 2 1 302.340 2.858 20 0 DFADMP CC(C)[C@H](CN[C@H](C)[C@@H]1CC[NH2+]C1)[N@H+]1CCc2ccccc2C1 ZINC000422935690 296357478 /nfs/dbraw/zinc/35/74/78/296357478.db2.gz HKQKJQLOFFYEKG-POAQFYNOSA-N 2 1 315.505 2.657 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1CC[NH2+]C1)N1CCc2ccccc2C1 ZINC000422935690 296357479 /nfs/dbraw/zinc/35/74/79/296357479.db2.gz HKQKJQLOFFYEKG-POAQFYNOSA-N 2 1 315.505 2.657 20 0 DFADMP COc1cccc(SCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631889826 399520059 /nfs/dbraw/zinc/52/00/59/399520059.db2.gz KAYAAKMYWWMUTR-RHSMWYFYSA-N 2 1 306.475 2.861 20 0 DFADMP C[C@@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1c[nH+]ccc1N ZINC000422955369 296360697 /nfs/dbraw/zinc/36/06/97/296360697.db2.gz JCGQZMVNHCJEPW-CQSZACIVSA-N 2 1 324.428 2.514 20 0 DFADMP COc1ccc([C@@H](NCCC[N@@H+](C)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422968547 296362671 /nfs/dbraw/zinc/36/26/71/296362671.db2.gz WXNYVVQBOSNZKW-RTBURBONSA-N 2 1 319.493 2.808 20 0 DFADMP CSc1cc(C[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])ccn1 ZINC000422986809 296364388 /nfs/dbraw/zinc/36/43/88/296364388.db2.gz HKMBQBWJYDFTMP-CJNGLKHVSA-N 2 1 301.459 2.852 20 0 DFADMP CO[C@@H](C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000625347521 399529646 /nfs/dbraw/zinc/52/96/46/399529646.db2.gz GPXNSXHZRSJCFQ-YOEHRIQHSA-N 2 1 317.408 2.904 20 0 DFADMP CO[C@@H](C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000625347521 399529648 /nfs/dbraw/zinc/52/96/48/399529648.db2.gz GPXNSXHZRSJCFQ-YOEHRIQHSA-N 2 1 317.408 2.904 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])c1 ZINC000423000696 296365934 /nfs/dbraw/zinc/36/59/34/296365934.db2.gz HEEGOWNBAPYADQ-ZWKOTPCHSA-N 2 1 306.450 2.852 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1 ZINC000270248164 208313488 /nfs/dbraw/zinc/31/34/88/208313488.db2.gz IOEAPQPMPLQIJX-INIZCTEOSA-N 2 1 303.450 2.706 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnc([C@@H]2CCCO2)s1 ZINC000270234180 208297397 /nfs/dbraw/zinc/29/73/97/208297397.db2.gz OWGZJSIRVLZWLP-DOMZBBRYSA-N 2 1 320.462 2.925 20 0 DFADMP COc1cc(C)[nH+]c(CN2CCC([NH+]3CCCCC3)CC2)c1 ZINC000270278264 208342492 /nfs/dbraw/zinc/34/24/92/208342492.db2.gz LZNLYYSOWFONJI-UHFFFAOYSA-N 2 1 303.450 2.849 20 0 DFADMP CCC(CC)[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCO1 ZINC000423039940 296370710 /nfs/dbraw/zinc/37/07/10/296370710.db2.gz GFTYUCKDBGBCGG-ZRSRNVLSSA-N 2 1 324.509 2.717 20 0 DFADMP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423039963 296371013 /nfs/dbraw/zinc/37/10/13/296371013.db2.gz GJBZGGMXINKSCJ-SKPIHXQZSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423039963 296371014 /nfs/dbraw/zinc/37/10/14/296371014.db2.gz GJBZGGMXINKSCJ-SKPIHXQZSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423039963 296371016 /nfs/dbraw/zinc/37/10/16/296371016.db2.gz GJBZGGMXINKSCJ-SKPIHXQZSA-N 3 1 313.489 2.770 20 0 DFADMP CC[C@H]([NH2+]CCc1nn(C)c2ccccc12)[C@@H]1CCCC[NH2+]1 ZINC000423046379 296371765 /nfs/dbraw/zinc/37/17/65/296371765.db2.gz DLQRVXPFJZKGBR-RDJZCZTQSA-N 2 1 300.450 2.626 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1nc2cccc(Cl)c2n1C ZINC000423050111 296371984 /nfs/dbraw/zinc/37/19/84/296371984.db2.gz KTWACAHUQMXSDD-YPMHNXCESA-N 2 1 306.841 2.704 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423051073 296372420 /nfs/dbraw/zinc/37/24/20/296372420.db2.gz ZTLDLFOZVFRSIC-HNJRGHQBSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423051073 296372422 /nfs/dbraw/zinc/37/24/22/296372422.db2.gz ZTLDLFOZVFRSIC-HNJRGHQBSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423051073 296372423 /nfs/dbraw/zinc/37/24/23/296372423.db2.gz ZTLDLFOZVFRSIC-HNJRGHQBSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H](NC[C@H](C1CC1)[N@@H+](C)Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000423059358 296373031 /nfs/dbraw/zinc/37/30/31/296373031.db2.gz FKIDQLCDZVIJQG-KFKAGJAMSA-N 2 1 301.478 2.627 20 0 DFADMP COCCC1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)CCCCC1 ZINC000423063792 296373934 /nfs/dbraw/zinc/37/39/34/296373934.db2.gz PUWRZNMRBSBRGL-RCCFBDPRSA-N 2 1 324.509 2.720 20 0 DFADMP c1cc(C2CC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423071238 296375072 /nfs/dbraw/zinc/37/50/72/296375072.db2.gz HMIWNLYQIOXWEF-QRVBRYPASA-N 2 1 300.446 2.811 20 0 DFADMP C(N[C@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)[C@@H]1CCCC[N@H+]1C1CC1 ZINC000423075255 296375247 /nfs/dbraw/zinc/37/52/47/296375247.db2.gz OCNHKTWDAPMVQM-OKYOBFRVSA-N 2 1 305.510 2.904 20 0 DFADMP COC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159090304 197326217 /nfs/dbraw/zinc/32/62/17/197326217.db2.gz XWUKTVQMEXXRHM-QZTJIDSGSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000159090304 197326220 /nfs/dbraw/zinc/32/62/20/197326220.db2.gz XWUKTVQMEXXRHM-QZTJIDSGSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000159090304 197326222 /nfs/dbraw/zinc/32/62/22/197326222.db2.gz XWUKTVQMEXXRHM-QZTJIDSGSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000159090304 197326224 /nfs/dbraw/zinc/32/62/24/197326224.db2.gz XWUKTVQMEXXRHM-QZTJIDSGSA-N 2 1 316.445 2.536 20 0 DFADMP C[C@H](O)[C@@](C)(C[NH2+][C@@H](C)[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000423070909 296374789 /nfs/dbraw/zinc/37/47/89/296374789.db2.gz GXMWWHDANFKZRL-RNIPGJKVSA-N 2 1 304.478 2.736 20 0 DFADMP CC[C@H]([NH2+]C[C@](C)(CO)Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000423070577 296374812 /nfs/dbraw/zinc/37/48/12/296374812.db2.gz GGQQATQGJVBVGT-GBESFXJTSA-N 2 1 304.478 2.738 20 0 DFADMP CC[N@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)CCC(F)(F)F ZINC000423079248 296376053 /nfs/dbraw/zinc/37/60/53/296376053.db2.gz QHSXTYKVYXSMBT-GJZGRUSLSA-N 2 1 315.383 2.995 20 0 DFADMP CC[N@@H+](CCN[C@H]1C[C@H]([NH3+])c2ccccc21)CCC(F)(F)F ZINC000423079248 296376054 /nfs/dbraw/zinc/37/60/54/296376054.db2.gz QHSXTYKVYXSMBT-GJZGRUSLSA-N 2 1 315.383 2.995 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](c1nnc2ccccn21)C(C)C ZINC000347664866 285120786 /nfs/dbraw/zinc/12/07/86/285120786.db2.gz AFPIYZVOMUKDSF-MRXNPFEDSA-N 2 1 312.421 2.611 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1cccc(N2CCC2=O)c1 ZINC000423094838 296377464 /nfs/dbraw/zinc/37/74/64/296377464.db2.gz CUWFMLOYWYHYPK-NVXWUHKLSA-N 2 1 315.461 2.824 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1cc(F)c(F)cc1Br ZINC000423100440 296378318 /nfs/dbraw/zinc/37/83/18/296378318.db2.gz BSBXWPLLHDQROX-SDBXPKJASA-N 2 1 319.193 2.944 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1OC ZINC000624119543 399559186 /nfs/dbraw/zinc/55/91/86/399559186.db2.gz DSWHZQHYTZPDTI-NVXWUHKLSA-N 2 1 320.477 2.956 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@H]1CCC[NH2+]1 ZINC000423103755 296378703 /nfs/dbraw/zinc/37/87/03/296378703.db2.gz GLXJDBNWRYXTNW-KLWIRTJPSA-N 2 1 310.388 2.995 20 0 DFADMP CSCc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000423108441 296379298 /nfs/dbraw/zinc/37/92/98/296379298.db2.gz MFMZVOFEDIFVIW-KURKYZTESA-N 2 1 320.502 2.796 20 0 DFADMP CSc1cccc(F)c1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423112432 296379562 /nfs/dbraw/zinc/37/95/62/296379562.db2.gz XPAUGSCUSPKZJK-NUEKZKHPSA-N 2 1 324.465 2.794 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423110461 296379787 /nfs/dbraw/zinc/37/97/87/296379787.db2.gz IDZXDHTYLTWVDI-VDZJLULYSA-N 2 1 310.445 2.880 20 0 DFADMP C[N@H+]1CCCC[C@@H](CN[C@H](c2ncc[nH]2)c2ccc(F)cc2)C1 ZINC000624122950 399561320 /nfs/dbraw/zinc/56/13/20/399561320.db2.gz BNFPGPPSJSNZQU-YOEHRIQHSA-N 2 1 316.424 2.960 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCCC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000423126711 296381524 /nfs/dbraw/zinc/38/15/24/296381524.db2.gz OOVFZEIOXQNQKA-LSDHHAIUSA-N 2 1 305.466 2.984 20 0 DFADMP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423121271 296381036 /nfs/dbraw/zinc/38/10/36/296381036.db2.gz ALVQODLPMPDKNV-ZJIFWQFVSA-N 2 1 316.436 2.949 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]C[C@H]2CCCC[N@H+](C)C2)c2ccccc21 ZINC000624124096 399562990 /nfs/dbraw/zinc/56/29/90/399562990.db2.gz XEFPGQBHCFXCRZ-SJLPKXTDSA-N 2 1 315.461 2.806 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423131597 296382228 /nfs/dbraw/zinc/38/22/28/296382228.db2.gz AUDLIACIHAOFAV-QRVBRYPASA-N 2 1 301.478 2.758 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423131594 296382340 /nfs/dbraw/zinc/38/23/40/296382340.db2.gz AUDLIACIHAOFAV-GUDVDZBRSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccc(F)c(Br)c1)C1C[NH2+]C1 ZINC000423128716 296381891 /nfs/dbraw/zinc/38/18/91/296381891.db2.gz DGIQZUKYNGQULJ-DTWKUNHWSA-N 2 1 301.203 2.847 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000423137406 296382903 /nfs/dbraw/zinc/38/29/03/296382903.db2.gz WLKVQLKAZDRPKQ-ZIAGYGMSSA-N 2 1 302.447 2.938 20 0 DFADMP CC(C)c1nnc(CC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)s1 ZINC000423137404 296383226 /nfs/dbraw/zinc/38/32/26/296383226.db2.gz WLKVQLKAZDRPKQ-KGLIPLIRSA-N 2 1 302.447 2.938 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367085066 285146845 /nfs/dbraw/zinc/14/68/45/285146845.db2.gz DFFVIWIMNHIYMB-SPOLIRPYSA-N 2 1 324.509 2.671 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000367085066 285146846 /nfs/dbraw/zinc/14/68/46/285146846.db2.gz DFFVIWIMNHIYMB-SPOLIRPYSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423137705 296383387 /nfs/dbraw/zinc/38/33/87/296383387.db2.gz WWPZIRAWDLUCTI-QWHCGFSZSA-N 2 1 300.381 2.563 20 0 DFADMP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423142840 296384410 /nfs/dbraw/zinc/38/44/10/296384410.db2.gz BJNINGPUOMEINR-QXCFHYIPSA-N 2 1 318.436 2.950 20 0 DFADMP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)ccc1Cl ZINC000423144046 296384444 /nfs/dbraw/zinc/38/44/44/296384444.db2.gz YETYNCSPQHMNHA-CGTJXYLNSA-N 2 1 322.880 2.938 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]C[C@H]3CC34CCOCC4)CC[NH2+]2)cc1 ZINC000423146830 296384665 /nfs/dbraw/zinc/38/46/65/296384665.db2.gz BEIKRVDGIHYTHR-SQNIBIBYSA-N 2 1 300.446 2.886 20 0 DFADMP c1ccc2c(c1)CC[C@@H]2CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423146132 296384785 /nfs/dbraw/zinc/38/47/85/296384785.db2.gz ODCVQTSBTYZCJE-MDNKFWRPSA-N 2 1 314.473 2.853 20 0 DFADMP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423150473 296385412 /nfs/dbraw/zinc/38/54/12/296385412.db2.gz ZBTSSUNYLCDMAV-TUVASFSCSA-N 2 1 302.409 2.559 20 0 DFADMP CC(C)(C[C@@H]1CCC[N@H+]([C@H]2C[C@@H](N)c3ccccc32)C1)C(N)=O ZINC000423163497 296386767 /nfs/dbraw/zinc/38/67/67/296386767.db2.gz VPIMZZWNMUHKDI-XKQJLSEDSA-N 2 1 315.461 2.745 20 0 DFADMP CC(C)(C[C@@H]1CCC[N@H+]([C@H]2C[C@@H]([NH3+])c3ccccc32)C1)C(N)=O ZINC000423163497 296386770 /nfs/dbraw/zinc/38/67/70/296386770.db2.gz VPIMZZWNMUHKDI-XKQJLSEDSA-N 2 1 315.461 2.745 20 0 DFADMP CCn1nc(C)c([C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)c1C ZINC000423179819 296388782 /nfs/dbraw/zinc/38/87/82/296388782.db2.gz AGFSZCWBNXRVEG-AWEZNQCLSA-N 2 1 315.465 2.745 20 0 DFADMP Brc1ccc2c(c1)CC[C@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC000423190698 296390500 /nfs/dbraw/zinc/39/05/00/296390500.db2.gz NXCXAXSAFGSLSG-GJZGRUSLSA-N 2 1 309.251 2.648 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)c1ccccc1 ZINC000617014005 399574166 /nfs/dbraw/zinc/57/41/66/399574166.db2.gz DPFBTUXBEXYXSV-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NC[C@H]1CC[NH+]1C(C)(C)C)c1ccccc1 ZINC000617014005 399574169 /nfs/dbraw/zinc/57/41/69/399574169.db2.gz DPFBTUXBEXYXSV-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617014005 399574172 /nfs/dbraw/zinc/57/41/72/399574172.db2.gz DPFBTUXBEXYXSV-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C)c1ccccc1 ZINC000617014005 399574174 /nfs/dbraw/zinc/57/41/74/399574174.db2.gz DPFBTUXBEXYXSV-IAGOWNOFSA-N 2 1 317.477 2.668 20 0 DFADMP CCC1(CC)[C@@H]([NH2+]CCC[NH2+]Cc2cccnc2)C[C@@H]1OC ZINC000423186598 296390090 /nfs/dbraw/zinc/39/00/90/296390090.db2.gz LDBQTNAWHJVCDD-IRXDYDNUSA-N 2 1 305.466 2.745 20 0 DFADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1cccc(OCC[NH+](C)C)c1 ZINC000423206795 296392434 /nfs/dbraw/zinc/39/24/34/296392434.db2.gz DAIUIUIHMMEBKD-QTXGHNMQSA-N 2 1 317.477 2.561 20 0 DFADMP C[NH2+]CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423200588 296391983 /nfs/dbraw/zinc/39/19/83/296391983.db2.gz MTHAORBOFZVGED-GUDVDZBRSA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423200588 296391984 /nfs/dbraw/zinc/39/19/84/296391984.db2.gz MTHAORBOFZVGED-GUDVDZBRSA-N 3 1 301.478 2.629 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423200588 296391986 /nfs/dbraw/zinc/39/19/86/296391986.db2.gz MTHAORBOFZVGED-GUDVDZBRSA-N 3 1 301.478 2.629 20 0 DFADMP Brc1ccccc1C[C@@H]([NH2+][C@H]1CC[NH2+]C1)C1CC1 ZINC000423214792 296393164 /nfs/dbraw/zinc/39/31/64/296393164.db2.gz NCRLWEFPVXHMDX-DZGCQCFKSA-N 2 1 309.251 2.722 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000423228358 296394699 /nfs/dbraw/zinc/39/46/99/296394699.db2.gz ZGPODXPLBZQUMT-DSLXNQLJSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423228358 296394701 /nfs/dbraw/zinc/39/47/01/296394701.db2.gz ZGPODXPLBZQUMT-DSLXNQLJSA-N 3 1 301.478 2.614 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000347800323 285180783 /nfs/dbraw/zinc/18/07/83/285180783.db2.gz LJGKDBLDYBCDAN-QFBILLFUSA-N 2 1 317.477 2.616 20 0 DFADMP C[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccccc1I ZINC000423227250 296394715 /nfs/dbraw/zinc/39/47/15/296394715.db2.gz VBIIZIALCPSBBG-UWVGGRQHSA-N 2 1 318.202 2.679 20 0 DFADMP C[C@H]([NH3+])CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423228358 296394697 /nfs/dbraw/zinc/39/46/97/296394697.db2.gz ZGPODXPLBZQUMT-DSLXNQLJSA-N 2 1 301.478 2.614 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH+]1CCC[C@@H](CC)C1 ZINC000347812908 285186054 /nfs/dbraw/zinc/18/60/54/285186054.db2.gz JQADAMDLRDFTSA-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](CC)C1 ZINC000347812908 285186058 /nfs/dbraw/zinc/18/60/58/285186058.db2.gz JQADAMDLRDFTSA-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1 ZINC000347812908 285186062 /nfs/dbraw/zinc/18/60/62/285186062.db2.gz JQADAMDLRDFTSA-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP Brc1cccc2c1C[C@H]([NH2+]C[C@@H]1CCC[NH2+]1)CC2 ZINC000423242737 296396422 /nfs/dbraw/zinc/39/64/22/296396422.db2.gz VUMHVGYAHGFOBF-OLZOCXBDSA-N 2 1 309.251 2.648 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000629387536 399590198 /nfs/dbraw/zinc/59/01/98/399590198.db2.gz FIVPHSMKXJPBSE-ZWKOTPCHSA-N 2 1 303.494 2.875 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423262640 296397906 /nfs/dbraw/zinc/39/79/06/296397906.db2.gz NAIZCOCYEGUMNA-RDJZCZTQSA-N 2 1 305.466 2.547 20 0 DFADMP C[NH2+]C[C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423274576 296399630 /nfs/dbraw/zinc/39/96/30/296399630.db2.gz MBSLVPSXSONVDI-IJXRJRJASA-N 2 1 315.505 2.875 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000423269094 296399011 /nfs/dbraw/zinc/39/90/11/296399011.db2.gz GMUHEMFYBQIXHL-QWRGUYRKSA-N 2 1 315.255 2.964 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423274576 296399631 /nfs/dbraw/zinc/39/96/31/296399631.db2.gz MBSLVPSXSONVDI-IJXRJRJASA-N 3 1 315.505 2.875 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423274576 296399633 /nfs/dbraw/zinc/39/96/33/296399633.db2.gz MBSLVPSXSONVDI-IJXRJRJASA-N 3 1 315.505 2.875 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@H](C[NH3+])C1CC1 ZINC000423271868 296399296 /nfs/dbraw/zinc/39/92/96/296399296.db2.gz HQBXARULTFUHMF-LKFCYVNXSA-N 2 1 315.230 2.846 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@@H]1CCc2ccc(OC(F)(F)F)cc21)C1CC1 ZINC000423270950 296399317 /nfs/dbraw/zinc/39/93/17/296399317.db2.gz HBNFHRUQLKREKN-ZIAGYGMSSA-N 2 1 300.324 2.899 20 0 DFADMP C[NH2+]C[C@@H](C)C[NH2+][C@@H](C)c1ccc(OC)cc1Br ZINC000423269093 296398959 /nfs/dbraw/zinc/39/89/59/296398959.db2.gz GMUHEMFYBQIXHL-MNOVXSKESA-N 2 1 315.255 2.964 20 0 DFADMP C[C@@H]1CC[C@@H](NCC(C)(C)C[N@@H+](C)Cc2ccccc2)C[NH2+]1 ZINC000629411989 399596782 /nfs/dbraw/zinc/59/67/82/399596782.db2.gz JKSMMBIKINGWRT-SJLPKXTDSA-N 2 1 303.494 2.875 20 0 DFADMP CC[N@@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000156562166 197124168 /nfs/dbraw/zinc/12/41/68/197124168.db2.gz VTZVEAVGPPRMNG-FUHWJXTLSA-N 2 1 319.493 2.762 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000156562166 197124170 /nfs/dbraw/zinc/12/41/70/197124170.db2.gz VTZVEAVGPPRMNG-FUHWJXTLSA-N 2 1 319.493 2.762 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH3+])c(Br)c1 ZINC000423313278 296403422 /nfs/dbraw/zinc/40/34/22/296403422.db2.gz WURFGVIMTJVZRU-VHSXEESVSA-N 2 1 301.228 2.703 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)C[C@H]1C ZINC000347867691 285217090 /nfs/dbraw/zinc/21/70/90/285217090.db2.gz PVVFXYVCHQUNTH-ZIAGYGMSSA-N 2 1 310.511 2.509 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ncc(C[NH+](C)C)s2)C[C@H]1C ZINC000347867691 285217092 /nfs/dbraw/zinc/21/70/92/285217092.db2.gz PVVFXYVCHQUNTH-ZIAGYGMSSA-N 2 1 310.511 2.509 20 0 DFADMP C[C@@H]([NH2+]C[C@H]([NH3+])C1CC1)c1ccc(F)c(Br)c1 ZINC000423323859 296404580 /nfs/dbraw/zinc/40/45/80/296404580.db2.gz PAGKIKYUXSKHFT-OQPBUACISA-N 2 1 301.203 2.976 20 0 DFADMP COc1cc([C@@H](C)[NH2+]CC2([NH3+])CCC2)ccc1OC(F)F ZINC000423338325 296406025 /nfs/dbraw/zinc/40/60/25/296406025.db2.gz WBGONLIOMINRRW-SNVBAGLBSA-N 2 1 300.349 2.829 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(c2ccccc2)C1 ZINC000120350923 195149475 /nfs/dbraw/zinc/14/94/75/195149475.db2.gz MHUUUZHWNJMCEP-MTNOOBJLSA-N 2 1 301.478 2.974 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@H](C)C1 ZINC000155198656 197031099 /nfs/dbraw/zinc/03/10/99/197031099.db2.gz UUAIYGPWSZESNC-WBVHZDCISA-N 2 1 320.477 2.956 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C)CCC2 ZINC000423407122 296413501 /nfs/dbraw/zinc/41/35/01/296413501.db2.gz VJQIDXNVCUVTRS-IACUBPJLSA-N 2 1 320.433 2.730 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH3+])C1)c1ncc(Br)cc1F ZINC000423403726 296413040 /nfs/dbraw/zinc/41/30/40/296413040.db2.gz XEIYJDQOVSKMDG-INTQDDNPSA-N 2 1 316.218 2.904 20 0 DFADMP CSC1(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000347914340 285242369 /nfs/dbraw/zinc/24/23/69/285242369.db2.gz BOWBVRZZKGKDAE-UHFFFAOYSA-N 2 1 306.475 2.504 20 0 DFADMP COC[C@]1(C[NH2+][C@H](c2ccc(OC)cc2)C(C)C)CCC[NH2+]1 ZINC000423423397 296415080 /nfs/dbraw/zinc/41/50/80/296415080.db2.gz ZLQKJIYPKVKCSR-ZWKOTPCHSA-N 2 1 306.450 2.751 20 0 DFADMP CSC1(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CC1 ZINC000289210018 220794293 /nfs/dbraw/zinc/79/42/93/220794293.db2.gz INCWMFIIIVOMTQ-UHFFFAOYSA-N 2 1 306.475 2.504 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1nc2c(s1)CCCC2 ZINC000423462984 296418637 /nfs/dbraw/zinc/41/86/37/296418637.db2.gz AGTIZQKJIHXCMW-WDEREUQCSA-N 2 1 315.433 2.917 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@H](C)Cc2ccccc2)CC1 ZINC000423457375 296418120 /nfs/dbraw/zinc/41/81/20/296418120.db2.gz OWYYPSVVVJBPFL-IAGOWNOFSA-N 2 1 303.494 2.799 20 0 DFADMP CC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000423470182 296418990 /nfs/dbraw/zinc/41/89/90/296418990.db2.gz GONPUQIQYCUSSR-SMDDNHRTSA-N 2 1 311.376 2.540 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1(CC)CC ZINC000423472278 296419276 /nfs/dbraw/zinc/41/92/76/296419276.db2.gz HXIXHXMLTOADMS-MGPQQGTHSA-N 2 1 304.425 2.805 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1Cl ZINC000423489153 296421335 /nfs/dbraw/zinc/42/13/35/296421335.db2.gz WQOMFSVUEMMIDA-MWLCHTKSSA-N 2 1 319.783 2.639 20 0 DFADMP COC(=O)C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000347953302 285266632 /nfs/dbraw/zinc/26/66/32/285266632.db2.gz GALXKZIVLGJXDK-IRXDYDNUSA-N 2 1 310.482 2.962 20 0 DFADMP COC(=O)C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000347953299 285266917 /nfs/dbraw/zinc/26/69/17/285266917.db2.gz GALXKZIVLGJXDK-IAGOWNOFSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(OC(F)(F)F)c1 ZINC000423527372 296426705 /nfs/dbraw/zinc/42/67/05/296426705.db2.gz VSPGODHQVASZNJ-SMDDNHRTSA-N 2 1 318.339 2.614 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCN(C)C[C@@H]2C)c(O[C@H]2CCOC2)c1 ZINC000120597820 195198676 /nfs/dbraw/zinc/19/86/76/195198676.db2.gz QIKZKCBZAISHBG-RYQLBKOJSA-N 2 1 318.461 2.593 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)c(O[C@H]2CCOC2)c1 ZINC000120597820 195198678 /nfs/dbraw/zinc/19/86/78/195198678.db2.gz QIKZKCBZAISHBG-RYQLBKOJSA-N 2 1 318.461 2.593 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@@H]2C)c(O[C@H]2CCOC2)c1 ZINC000120597820 195198680 /nfs/dbraw/zinc/19/86/80/195198680.db2.gz QIKZKCBZAISHBG-RYQLBKOJSA-N 2 1 318.461 2.593 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000282187620 285278688 /nfs/dbraw/zinc/27/86/88/285278688.db2.gz NDXIQGRINPVUAJ-FHWLQOOXSA-N 2 1 314.473 2.792 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCC12CCC2 ZINC000282187620 285278689 /nfs/dbraw/zinc/27/86/89/285278689.db2.gz NDXIQGRINPVUAJ-FHWLQOOXSA-N 2 1 314.473 2.792 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccccc1F ZINC000271554758 209008302 /nfs/dbraw/zinc/00/83/02/209008302.db2.gz VNNTUULPDLAMLN-KKXDTOCCSA-N 2 1 306.425 2.854 20 0 DFADMP O[C@H](C[NH+]1CCC[C@@H](C2CC2)C1)C[N@H+]1CCC[C@H](C2CC2)C1 ZINC000344052859 285302227 /nfs/dbraw/zinc/30/22/27/285302227.db2.gz INCLPPQNQYUYRX-REPLKXPHSA-N 2 1 306.494 2.591 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@H](C2CC2)C1)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000344052859 285302230 /nfs/dbraw/zinc/30/22/30/285302230.db2.gz INCLPPQNQYUYRX-REPLKXPHSA-N 2 1 306.494 2.591 20 0 DFADMP O[C@@H](C[NH+]1CCC[C@H](C2CC2)C1)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000344052859 285302232 /nfs/dbraw/zinc/30/22/32/285302232.db2.gz INCLPPQNQYUYRX-REPLKXPHSA-N 2 1 306.494 2.591 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](CC4=CCCOC4)C3)C2)cc1 ZINC000289518279 221034996 /nfs/dbraw/zinc/03/49/96/221034996.db2.gz GZQIBMUJBPIRMQ-HXUWFJFHSA-N 2 1 312.457 2.931 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](CC4=CCCOC4)C3)C2)cc1 ZINC000289518279 221034999 /nfs/dbraw/zinc/03/49/99/221034999.db2.gz GZQIBMUJBPIRMQ-HXUWFJFHSA-N 2 1 312.457 2.931 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](CC4=CCCOC4)C3)C2)cc1 ZINC000289518279 221035002 /nfs/dbraw/zinc/03/50/02/221035002.db2.gz GZQIBMUJBPIRMQ-HXUWFJFHSA-N 2 1 312.457 2.931 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@H](CSc2ccccc2)C1)C1CC1 ZINC000289540945 221053383 /nfs/dbraw/zinc/05/33/83/221053383.db2.gz CLMKSIOHMHPYAS-RDJZCZTQSA-N 2 1 320.502 2.556 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@H](CSc2ccccc2)C1)C1CC1 ZINC000289540945 221053385 /nfs/dbraw/zinc/05/33/85/221053385.db2.gz CLMKSIOHMHPYAS-RDJZCZTQSA-N 2 1 320.502 2.556 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@H](CSc2ccccc2)C1)C1CC1 ZINC000289540945 221053388 /nfs/dbraw/zinc/05/33/88/221053388.db2.gz CLMKSIOHMHPYAS-RDJZCZTQSA-N 2 1 320.502 2.556 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@H](CSc2ccccc2)C1)C1CC1 ZINC000289540945 221053391 /nfs/dbraw/zinc/05/33/91/221053391.db2.gz CLMKSIOHMHPYAS-RDJZCZTQSA-N 2 1 320.502 2.556 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1c(C(F)(F)F)cnn1C ZINC000629513519 399631058 /nfs/dbraw/zinc/63/10/58/399631058.db2.gz LFIZWEGPLYRZTP-VXGBXAGGSA-N 2 1 318.387 2.839 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289734314 221189177 /nfs/dbraw/zinc/18/91/77/221189177.db2.gz HTSOCIXVOYRNPU-DYVFJYSZSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000289734314 221189181 /nfs/dbraw/zinc/18/91/81/221189181.db2.gz HTSOCIXVOYRNPU-DYVFJYSZSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000289734314 221189182 /nfs/dbraw/zinc/18/91/82/221189182.db2.gz HTSOCIXVOYRNPU-DYVFJYSZSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@H](Cc1ccc(Cl)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000289734314 221189185 /nfs/dbraw/zinc/18/91/85/221189185.db2.gz HTSOCIXVOYRNPU-DYVFJYSZSA-N 2 1 310.869 2.658 20 0 DFADMP FC(F)CN1CCC[C@@H]1C[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000629518173 399632997 /nfs/dbraw/zinc/63/29/97/399632997.db2.gz FLYMPLHPVJFKFP-BRWVUGGUSA-N 2 1 323.431 2.799 20 0 DFADMP [NH3+]C1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CCOCC1 ZINC000629523722 399635169 /nfs/dbraw/zinc/63/51/69/399635169.db2.gz IIFBZIJAUCRAKI-CQSZACIVSA-N 2 1 310.825 2.651 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCOCC1)c1cccc(C(F)(F)F)c1 ZINC000629524676 399635282 /nfs/dbraw/zinc/63/52/82/399635282.db2.gz SRXXBZLDJIGGPU-NSHDSACASA-N 2 1 302.340 2.864 20 0 DFADMP [NH3+]C1(C[NH2+]C2c3ccccc3CCc3ccccc32)CCOCC1 ZINC000629524086 399635761 /nfs/dbraw/zinc/63/57/61/399635761.db2.gz KYVSXZXEGQSGIO-UHFFFAOYSA-N 2 1 322.452 2.972 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000629528213 399636073 /nfs/dbraw/zinc/63/60/73/399636073.db2.gz SSMBTLKWGXKHSM-UHOFOFEASA-N 2 1 306.450 2.673 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000629526009 399636121 /nfs/dbraw/zinc/63/61/21/399636121.db2.gz IPKVTNVEGYHWRE-QXCFHYIPSA-N 2 1 301.478 2.627 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(Br)nc2)C1 ZINC000289951592 221337658 /nfs/dbraw/zinc/33/76/58/221337658.db2.gz WOMCLDNRKBNZGY-NEPJUHHUSA-N 2 1 312.255 2.837 20 0 DFADMP C[C@@H]1CSC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000294946837 224331250 /nfs/dbraw/zinc/33/12/50/224331250.db2.gz FEHNVBDVAYPTKQ-NXHRZFHOSA-N 2 1 304.503 2.892 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccc(C(C)C)nc2CC)C[C@H]1C[NH3+] ZINC000629537754 399640199 /nfs/dbraw/zinc/64/01/99/399640199.db2.gz LRAIYPJIGYRAIB-CRAIPNDOSA-N 2 1 305.466 2.563 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C(C)C)nc2CC)C[C@H]1C[NH3+] ZINC000629537754 399640202 /nfs/dbraw/zinc/64/02/02/399640202.db2.gz LRAIYPJIGYRAIB-CRAIPNDOSA-N 2 1 305.466 2.563 20 0 DFADMP CC[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccc(Cl)cc1 ZINC000629545647 399642394 /nfs/dbraw/zinc/64/23/94/399642394.db2.gz IJAKXYFNDIPTLC-HOTGVXAUSA-N 2 1 319.840 2.707 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1ccccc1OCc1ccccc1 ZINC000629581115 399653782 /nfs/dbraw/zinc/65/37/82/399653782.db2.gz NOHRQBFXLDAIKU-UHFFFAOYSA-N 2 1 314.429 2.673 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000617344515 399670013 /nfs/dbraw/zinc/67/00/13/399670013.db2.gz KOFWDKPSGHSBSK-RDJZCZTQSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000617344515 399670015 /nfs/dbraw/zinc/67/00/15/399670015.db2.gz KOFWDKPSGHSBSK-RDJZCZTQSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)(C)[NH+]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000617344515 399670020 /nfs/dbraw/zinc/67/00/20/399670020.db2.gz KOFWDKPSGHSBSK-RDJZCZTQSA-N 2 1 321.509 2.773 20 0 DFADMP CC(C)c1ccc([C@H](C)[NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)cc1 ZINC000629544627 399643141 /nfs/dbraw/zinc/64/31/41/399643141.db2.gz GDJSDEIKKDYHDR-KSSFIOAISA-N 2 1 313.449 2.787 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@@H]1CCC[NH2+]1 ZINC000629546059 399643551 /nfs/dbraw/zinc/64/35/51/399643551.db2.gz OAXVAQADTYUXQX-WHOFXGATSA-N 2 1 311.832 2.788 20 0 DFADMP CCc1ccc([C@H](CC)[NH2+]Cc2cn([C@@H]3CC[NH2+]C3)nn2)cc1 ZINC000629549212 399644002 /nfs/dbraw/zinc/64/40/02/399644002.db2.gz SUYDZMMETWEKSX-MSOLQXFVSA-N 2 1 313.449 2.616 20 0 DFADMP COc1cccc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563659 399650729 /nfs/dbraw/zinc/65/07/29/399650729.db2.gz QAOMQCJLFSQQBB-OCCSQVGLSA-N 2 1 302.340 2.654 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)c1 ZINC000629563659 399650733 /nfs/dbraw/zinc/65/07/33/399650733.db2.gz QAOMQCJLFSQQBB-OCCSQVGLSA-N 2 1 302.340 2.654 20 0 DFADMP Cc1ccc(-c2ncc(C[N@@H+](C)CCOCC[NH3+])s2)cc1 ZINC000629663053 399681306 /nfs/dbraw/zinc/68/13/06/399681306.db2.gz JMWZHXATZUYHNC-UHFFFAOYSA-N 2 1 305.447 2.526 20 0 DFADMP C[C@@H](C[N@@H+](C)CCOCC[NH3+])c1ccc(C(F)(F)F)cc1 ZINC000629662506 399681426 /nfs/dbraw/zinc/68/14/26/399681426.db2.gz FWRHZTXGBJRCJN-LBPRGKRZSA-N 2 1 304.356 2.716 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)N[C@H](C)[C@@H](c2ccccc2)[NH+](C)C)CC[N@H+]1C ZINC000632517547 399681742 /nfs/dbraw/zinc/68/17/42/399681742.db2.gz MMPDROXXLJFHOJ-SPUZQDLCSA-N 2 1 317.477 2.524 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2cccc([C@@H]3C[C@H]3[NH3+])c2)CC1 ZINC000629735373 399707559 /nfs/dbraw/zinc/70/75/59/399707559.db2.gz UBPNWEOJZDYZST-LEWJYISDSA-N 2 1 321.468 2.916 20 0 DFADMP C[NH+]1CCN(Cc2ccccc2-c2ccc3c(c2)CC[NH2+]C3)CC1 ZINC000629735446 399707713 /nfs/dbraw/zinc/70/77/13/399707713.db2.gz XFNYFBXRPKHVJP-UHFFFAOYSA-N 2 1 321.468 2.747 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977720 224354051 /nfs/dbraw/zinc/35/40/51/224354051.db2.gz GGWHNGPRXSXWRJ-ZSYWTGECSA-N 2 1 300.446 2.666 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cnc(C)s2)CC1 ZINC000090402650 542535668 /nfs/dbraw/zinc/53/56/68/542535668.db2.gz SJFPHRSVRQLZAY-AWEZNQCLSA-N 2 1 310.511 2.520 20 0 DFADMP CC[C@H]1COCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091982077 542543823 /nfs/dbraw/zinc/54/38/23/542543823.db2.gz GQOKSPXTTOZSCI-SFHVURJKSA-N 2 1 318.461 2.772 20 0 DFADMP CC[C@H]1COCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000091982077 542543827 /nfs/dbraw/zinc/54/38/27/542543827.db2.gz GQOKSPXTTOZSCI-SFHVURJKSA-N 2 1 318.461 2.772 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCSC(C)(C)C2)cc1 ZINC000093504298 542553338 /nfs/dbraw/zinc/55/33/38/542553338.db2.gz NICKEQNCGQOYAH-UHFFFAOYSA-N 2 1 308.491 2.954 20 0 DFADMP Cn1cccc1C[N@@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093584335 542553754 /nfs/dbraw/zinc/55/37/54/542553754.db2.gz DCQNHLRBOSIGTH-UHFFFAOYSA-N 2 1 301.434 2.598 20 0 DFADMP CCC[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507953 399720162 /nfs/dbraw/zinc/72/01/62/399720162.db2.gz PNYCXBKDWLOQRK-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP CCC[C@H]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507953 399720166 /nfs/dbraw/zinc/72/01/66/399720166.db2.gz PNYCXBKDWLOQRK-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCCC1(C)C ZINC000617507123 399720620 /nfs/dbraw/zinc/72/06/20/399720620.db2.gz JCMVWFUGGGGDKL-JKSUJKDBSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@H]1CCCCC1(C)C ZINC000617507123 399720625 /nfs/dbraw/zinc/72/06/25/399720625.db2.gz JCMVWFUGGGGDKL-JKSUJKDBSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C(C1CCC1)C1CCC1 ZINC000617507597 399720883 /nfs/dbraw/zinc/72/08/83/399720883.db2.gz BPJKZYJDXRPYBZ-HNNXBMFYSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C(C1CCC1)C1CCC1 ZINC000617507597 399720886 /nfs/dbraw/zinc/72/08/86/399720886.db2.gz BPJKZYJDXRPYBZ-HNNXBMFYSA-N 2 1 323.525 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCCC1(C)C ZINC000617507122 399720347 /nfs/dbraw/zinc/72/03/47/399720347.db2.gz JCMVWFUGGGGDKL-HOTGVXAUSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)[C@@H]1CCCCC1(C)C ZINC000617507122 399720351 /nfs/dbraw/zinc/72/03/51/399720351.db2.gz JCMVWFUGGGGDKL-HOTGVXAUSA-N 2 1 311.514 2.591 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348118469 285361750 /nfs/dbraw/zinc/36/17/50/285361750.db2.gz XQRSDYGZMSRRJW-OAHLLOKOSA-N 2 1 324.432 2.903 20 0 DFADMP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c(C)c1 ZINC000121122245 195295707 /nfs/dbraw/zinc/29/57/07/195295707.db2.gz NHPFAWQIIUTWOB-QGZVFWFLSA-N 2 1 304.478 2.828 20 0 DFADMP Cc1cc(F)ccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121124284 195296641 /nfs/dbraw/zinc/29/66/41/195296641.db2.gz YKAGVFOAQJTDQO-OAHLLOKOSA-N 2 1 308.441 2.659 20 0 DFADMP c1cn(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cn1 ZINC000121723011 195334557 /nfs/dbraw/zinc/33/45/57/195334557.db2.gz DIRCCJXNJUTZJQ-UHFFFAOYSA-N 2 1 312.461 2.570 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CC2(C[NH3+])CCCCC2)C[C@H]1C ZINC000361627491 285383643 /nfs/dbraw/zinc/38/36/43/285383643.db2.gz NKSSVVBOFRZXLB-CVEARBPZSA-N 2 1 309.498 2.617 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ccnc(C)c2)CC1 ZINC000621271947 399740385 /nfs/dbraw/zinc/74/03/85/399740385.db2.gz YYKJOCPBEMRXBT-UHFFFAOYSA-N 2 1 319.493 2.960 20 0 DFADMP CC[N@@H+](CCc1cncn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062852 399741405 /nfs/dbraw/zinc/74/14/05/399741405.db2.gz JHAHCUVFNILMKX-UHFFFAOYSA-N 2 1 300.450 2.546 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)[C@@H](C)C(=O)NCC(C)C ZINC000626062459 399741717 /nfs/dbraw/zinc/74/17/17/399741717.db2.gz SVQBPUAIPLRBQY-INIZCTEOSA-N 2 1 319.493 2.731 20 0 DFADMP CC[N@H+](Cc1cc(OC)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063485 399742591 /nfs/dbraw/zinc/74/25/91/399742591.db2.gz GDCOLSBNJFANTI-UHFFFAOYSA-N 2 1 303.406 2.767 20 0 DFADMP CC[N@@H+](Cc1cc(OC)no1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063485 399742593 /nfs/dbraw/zinc/74/25/93/399742593.db2.gz GDCOLSBNJFANTI-UHFFFAOYSA-N 2 1 303.406 2.767 20 0 DFADMP CC[N@@H+](CCc1ccnn1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063332 399742377 /nfs/dbraw/zinc/74/23/77/399742377.db2.gz ZRGBTKBSWCVSLS-UHFFFAOYSA-N 2 1 300.450 2.546 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](OC)[C@@H]1CCOC1 ZINC000626063938 399742903 /nfs/dbraw/zinc/74/29/03/399742903.db2.gz WAFIXKXYQHIJGN-RTBURBONSA-N 2 1 320.477 2.622 20 0 DFADMP OC(C[NH+]1CCCC2(CCC2)C1)C[N@H+]1CCCC2(CCC2)C1 ZINC000348175754 285399653 /nfs/dbraw/zinc/39/96/53/285399653.db2.gz FEVXTHJRYNALJM-UHFFFAOYSA-N 2 1 306.494 2.880 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000309664805 533669121 /nfs/dbraw/zinc/66/91/21/533669121.db2.gz OOQJYIWJTIHUFM-SFHVURJKSA-N 2 1 311.429 2.702 20 0 DFADMP CN(Cc1ccccc1)C[C@H](O)C[N@H+]1C[C@@H]2CCCC[C@@]21C ZINC000626105065 399755023 /nfs/dbraw/zinc/75/50/23/399755023.db2.gz QVWGCJPLVNOFAB-FHWLQOOXSA-N 2 1 302.462 2.744 20 0 DFADMP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000621342159 399760175 /nfs/dbraw/zinc/76/01/75/399760175.db2.gz KNRJTFMYILTCQX-MRXNPFEDSA-N 2 1 305.466 2.938 20 0 DFADMP CCOc1cncc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000621342159 399760179 /nfs/dbraw/zinc/76/01/79/399760179.db2.gz KNRJTFMYILTCQX-MRXNPFEDSA-N 2 1 305.466 2.938 20 0 DFADMP C/C=C\C[C@H]1CCC[N@@H+](CC(=O)NC2CC[NH+](C(C)C)CC2)C1 ZINC000626162673 399781633 /nfs/dbraw/zinc/78/16/33/399781633.db2.gz XPQXQYBRTHZFJJ-CHYADLBTSA-N 2 1 321.509 2.654 20 0 DFADMP Cc1ccccc1[C@H]([C@H](C)NC(=O)C[N@@H+](C)C1CCC1)[NH+](C)C ZINC000629990567 399784210 /nfs/dbraw/zinc/78/42/10/399784210.db2.gz CTGCDPNDJIQARQ-KXBFYZLASA-N 2 1 317.477 2.587 20 0 DFADMP O[C@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000603556885 399789051 /nfs/dbraw/zinc/78/90/51/399789051.db2.gz FFWAAOBZOCYPJA-RTBURBONSA-N 2 1 317.477 2.749 20 0 DFADMP C1C[C@@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CC[N@H+]2C1 ZINC000161583932 542731195 /nfs/dbraw/zinc/73/11/95/542731195.db2.gz YORDSKGDZFXTNN-PKOBYXMFSA-N 2 1 305.510 3.000 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)[C@@H](C)C1 ZINC000163814445 132123749 /nfs/dbraw/zinc/12/37/49/132123749.db2.gz ABJBKYGPCFBIJD-FJIDUMEYSA-N 2 1 314.514 2.510 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000166294726 542751419 /nfs/dbraw/zinc/75/14/19/542751419.db2.gz IJOPBUUXKSAXEA-HZPDHXFCSA-N 2 1 304.434 2.681 20 0 DFADMP C[C@H](CN[C@H]1CC[N@H+]2CCC[C@@H]2C1)[NH+](C)Cc1ccccc1 ZINC000166563580 542751481 /nfs/dbraw/zinc/75/14/81/542751481.db2.gz FUVPKSLYIIMZGG-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000166563580 542751498 /nfs/dbraw/zinc/75/14/98/542751498.db2.gz FUVPKSLYIIMZGG-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)N(C)Cc1ccccc1 ZINC000166563580 542751501 /nfs/dbraw/zinc/75/15/01/542751501.db2.gz FUVPKSLYIIMZGG-NZSAHSFTSA-N 2 1 301.478 2.723 20 0 DFADMP CC(C)[NH2+]CCC(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000167541381 542753305 /nfs/dbraw/zinc/75/33/05/542753305.db2.gz LWFQCDFMOTZHNJ-AEFFLSMTSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC000603735448 399800758 /nfs/dbraw/zinc/80/07/58/399800758.db2.gz ATDLAGVCEZRAIT-FGTMMUONSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC000603735448 399800762 /nfs/dbraw/zinc/80/07/62/399800762.db2.gz ATDLAGVCEZRAIT-FGTMMUONSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC000603735448 399800766 /nfs/dbraw/zinc/80/07/66/399800766.db2.gz ATDLAGVCEZRAIT-FGTMMUONSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000178634887 542777738 /nfs/dbraw/zinc/77/77/38/542777738.db2.gz VOLZWNABQHGWMY-BEFAXECRSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000178634887 542777742 /nfs/dbraw/zinc/77/77/42/542777742.db2.gz VOLZWNABQHGWMY-BEFAXECRSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178634887 542777746 /nfs/dbraw/zinc/77/77/46/542777746.db2.gz VOLZWNABQHGWMY-BEFAXECRSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000178634887 542777749 /nfs/dbraw/zinc/77/77/49/542777749.db2.gz VOLZWNABQHGWMY-BEFAXECRSA-N 2 1 310.445 2.854 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC1(CO)CCC1 ZINC000184361508 542805890 /nfs/dbraw/zinc/80/58/90/542805890.db2.gz DUNMRRMBDZKECN-UHFFFAOYSA-N 2 1 304.478 2.897 20 0 DFADMP COc1cccc(CN(CC[NH+](C)C)c2cc(C)[nH+]c(C)n2)c1 ZINC000189627834 542833838 /nfs/dbraw/zinc/83/38/38/542833838.db2.gz LJTYZIOGMVOCLK-UHFFFAOYSA-N 2 1 314.433 2.670 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)c2c[nH]nc2C)[C@@H](C)C1 ZINC000245882431 542918133 /nfs/dbraw/zinc/91/81/33/542918133.db2.gz BGKLGOIHXNFPHI-VBQJREDUSA-N 2 1 308.470 2.506 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)c2c[nH]nc2C)[C@@H](C)C1 ZINC000245882431 542918138 /nfs/dbraw/zinc/91/81/38/542918138.db2.gz BGKLGOIHXNFPHI-VBQJREDUSA-N 2 1 308.470 2.506 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000248176022 542933520 /nfs/dbraw/zinc/93/35/20/542933520.db2.gz VOLZWNABQHGWMY-HNAYVOBHSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000248176022 542933522 /nfs/dbraw/zinc/93/35/22/542933522.db2.gz VOLZWNABQHGWMY-HNAYVOBHSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248176022 542933527 /nfs/dbraw/zinc/93/35/27/542933527.db2.gz VOLZWNABQHGWMY-HNAYVOBHSA-N 2 1 310.445 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000248176022 542933528 /nfs/dbraw/zinc/93/35/28/542933528.db2.gz VOLZWNABQHGWMY-HNAYVOBHSA-N 2 1 310.445 2.854 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H](Nc2cc(CC)[nH+]c(C)n2)[C@H](C)C1 ZINC000248451563 542935522 /nfs/dbraw/zinc/93/55/22/542935522.db2.gz YKPAGCRXUGBGLT-PBHICJAKSA-N 2 1 320.481 2.896 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](Nc2cc(CC)[nH+]c(C)n2)[C@H](C)C1 ZINC000248451563 542935523 /nfs/dbraw/zinc/93/55/23/542935523.db2.gz YKPAGCRXUGBGLT-PBHICJAKSA-N 2 1 320.481 2.896 20 0 DFADMP C[C@@H]1CCC[N@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1C[NH3+] ZINC000252125949 542946690 /nfs/dbraw/zinc/94/66/90/542946690.db2.gz KAXUKGRMDGVWLR-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2Cl)[C@H]1C[NH3+] ZINC000252125949 542946694 /nfs/dbraw/zinc/94/66/94/542946694.db2.gz KAXUKGRMDGVWLR-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc([S@@](C)=O)cc1 ZINC000268766993 542959990 /nfs/dbraw/zinc/95/99/90/542959990.db2.gz JTFYFMRKPLXUGH-NHDNYEFZSA-N 2 1 306.475 2.701 20 0 DFADMP CCCN(CC[NH+]1CCCC1)Cc1ncc(C[NH+](C)C)s1 ZINC000348547248 285601974 /nfs/dbraw/zinc/60/19/74/285601974.db2.gz FGEGLZQUNCRGQU-UHFFFAOYSA-N 2 1 310.511 2.513 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)CC[N@H+]1C ZINC000293768079 543020568 /nfs/dbraw/zinc/02/05/68/543020568.db2.gz RWKKAVCTVJFTMK-DGCLKSJQSA-N 2 1 301.356 2.715 20 0 DFADMP CCc1ccc([C@@H]2C[NH2+]CCN2CCCn2cc[nH+]c2C)cc1 ZINC000348756318 285660152 /nfs/dbraw/zinc/66/01/52/285660152.db2.gz NFAFRVBMSGHAHQ-IBGZPJMESA-N 2 1 312.461 2.791 20 0 DFADMP Cc1cc(N2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c2ccccc2[nH+]1 ZINC000301300332 543046466 /nfs/dbraw/zinc/04/64/66/543046466.db2.gz QTAKYQDKXVCPEM-QGZVFWFLSA-N 2 1 324.472 2.759 20 0 DFADMP Cc1cc(N2CC[NH+]([C@@H]3CCCN(C)C3)CC2)c2ccccc2[nH+]1 ZINC000301300332 543046468 /nfs/dbraw/zinc/04/64/68/543046468.db2.gz QTAKYQDKXVCPEM-QGZVFWFLSA-N 2 1 324.472 2.759 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309822541 543065251 /nfs/dbraw/zinc/06/52/51/543065251.db2.gz ZZNRCESRVFVUHT-YRPNKDGESA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309822541 543065253 /nfs/dbraw/zinc/06/52/53/543065253.db2.gz ZZNRCESRVFVUHT-YRPNKDGESA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309822541 543065255 /nfs/dbraw/zinc/06/52/55/543065255.db2.gz ZZNRCESRVFVUHT-YRPNKDGESA-N 2 1 313.489 2.629 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000320339290 543081989 /nfs/dbraw/zinc/08/19/89/543081989.db2.gz JGRAFEPUIMDWAK-LJQANCHMSA-N 2 1 304.478 2.642 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2ccccc2)CC1 ZINC000320339290 543081991 /nfs/dbraw/zinc/08/19/91/543081991.db2.gz JGRAFEPUIMDWAK-LJQANCHMSA-N 2 1 304.478 2.642 20 0 DFADMP COc1cc2c(cc1OC)C[N@@H+](CCCC1CC[NH2+]CC1)CC2 ZINC000320432860 543082306 /nfs/dbraw/zinc/08/23/06/543082306.db2.gz VEQRTKYIKSEZEA-UHFFFAOYSA-N 2 1 318.461 2.842 20 0 DFADMP C[N@@H+](Cc1ccncc1Br)CC1CC[NH+](C)CC1 ZINC000625162299 399855837 /nfs/dbraw/zinc/85/58/37/399855837.db2.gz OLQBOXKZTXWCOU-UHFFFAOYSA-N 2 1 312.255 2.618 20 0 DFADMP C[N@H+](Cc1ccncc1Br)CC1CC[NH+](C)CC1 ZINC000625162299 399855840 /nfs/dbraw/zinc/85/58/40/399855840.db2.gz OLQBOXKZTXWCOU-UHFFFAOYSA-N 2 1 312.255 2.618 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(-n2cncn2)cc1 ZINC000339071970 543139308 /nfs/dbraw/zinc/13/93/08/543139308.db2.gz WFNISPQJNPHNNJ-LESCRADOSA-N 2 1 311.433 2.545 20 0 DFADMP COc1ccc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1OC ZINC000339069790 543140013 /nfs/dbraw/zinc/14/00/13/543140013.db2.gz LIZDMCSWEQLGCI-IRXDYDNUSA-N 2 1 318.461 2.853 20 0 DFADMP C1C[C@H]2C[C@@H](NC3CC[NH+](C4CCCCC4)CC3)CC[N@H+]2C1 ZINC000339077048 543140024 /nfs/dbraw/zinc/14/00/24/543140024.db2.gz YORDSKGDZFXTNN-HKUYNNGSSA-N 2 1 305.510 3.000 20 0 DFADMP c1cnn(Cc2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000339066134 543140327 /nfs/dbraw/zinc/14/03/27/543140327.db2.gz CFCKARABVQUEQN-OALUTQOASA-N 2 1 310.445 2.648 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339074055 543140500 /nfs/dbraw/zinc/14/05/00/543140500.db2.gz IJOPBUUXKSAXEA-CVEARBPZSA-N 2 1 304.434 2.681 20 0 DFADMP CC[NH+](C[C@H]1CCCO1)[C@@H](C)CC[N@H+](CC)C[C@H]1CCCO1 ZINC000343606528 543168155 /nfs/dbraw/zinc/16/81/55/543168155.db2.gz XLNKJEYRXOCXPH-RCCFBDPRSA-N 2 1 312.498 2.767 20 0 DFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCCC2CCCCC2)CC1 ZINC000347994719 543182832 /nfs/dbraw/zinc/18/28/32/543182832.db2.gz DRJSIPBHQYJSBV-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP C[C@H]1CN(C(=O)c2ccc(-c3c[nH]cn3)cc2)CC[N@H+](C2CC2)C1 ZINC000633241370 399875315 /nfs/dbraw/zinc/87/53/15/399875315.db2.gz KVGPDEFAEAXWFB-CQSZACIVSA-N 2 1 324.428 2.633 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)CC2 ZINC000358758338 543269200 /nfs/dbraw/zinc/26/92/00/543269200.db2.gz SELUSGCKKRCWIK-XNRPHZJLSA-N 2 1 304.434 2.763 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)CC2 ZINC000358758338 543269203 /nfs/dbraw/zinc/26/92/03/543269203.db2.gz SELUSGCKKRCWIK-XNRPHZJLSA-N 2 1 304.434 2.763 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953235 543297492 /nfs/dbraw/zinc/29/74/92/543297492.db2.gz SGQYRABOAVXFTM-IEBWSBKVSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCN(Cc2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000380953235 543297493 /nfs/dbraw/zinc/29/74/93/543297493.db2.gz SGQYRABOAVXFTM-IEBWSBKVSA-N 2 1 315.505 2.828 20 0 DFADMP CCC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000125052867 145205776 /nfs/dbraw/zinc/20/57/76/145205776.db2.gz FDKWQEODLBPGFT-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C)c1cn(-c2ccccc2)nn1 ZINC000164626874 145225387 /nfs/dbraw/zinc/22/53/87/145225387.db2.gz HKWYZYAPOBYAJX-OAHLLOKOSA-N 2 1 324.432 2.903 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000165244398 145229046 /nfs/dbraw/zinc/22/90/46/145229046.db2.gz BEIFIAOQHFEYFQ-HKUYNNGSSA-N 2 1 304.478 2.956 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[C@@H]1c1ccccc1 ZINC000414300044 543324949 /nfs/dbraw/zinc/32/49/49/543324949.db2.gz LHYRUKAGYQPZSX-VQHPVUNQSA-N 2 1 324.415 2.960 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCCC(F)(F)[C@H]2O)C[C@@H]1c1ccccc1 ZINC000414300044 543324951 /nfs/dbraw/zinc/32/49/51/543324951.db2.gz LHYRUKAGYQPZSX-VQHPVUNQSA-N 2 1 324.415 2.960 20 0 DFADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)s1 ZINC000171933331 145283973 /nfs/dbraw/zinc/28/39/73/145283973.db2.gz UTSFNGINBRLETK-SFHVURJKSA-N 2 1 321.534 2.967 20 0 DFADMP Cc1cc(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c(C)s1 ZINC000171933331 145283975 /nfs/dbraw/zinc/28/39/75/145283975.db2.gz UTSFNGINBRLETK-SFHVURJKSA-N 2 1 321.534 2.967 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H](CN3CCOCC3)C2)cc2c1CCC2 ZINC000172290910 145298659 /nfs/dbraw/zinc/29/86/59/145298659.db2.gz ZREANNHOEATCKX-SFHVURJKSA-N 2 1 314.473 2.720 20 0 DFADMP CC(C)[C@@H]1C[N@@H+](C)CCN1C(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000172337750 145299027 /nfs/dbraw/zinc/29/90/27/145299027.db2.gz WSJIBPNMFBJJPJ-KRWDZBQOSA-N 2 1 318.465 2.552 20 0 DFADMP CCCC[C@H](CC)CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000415103161 543328657 /nfs/dbraw/zinc/32/86/57/543328657.db2.gz CSLJEWPPRJBKDQ-RDJZCZTQSA-N 2 1 307.486 2.980 20 0 DFADMP [NH3+]C1(CNc2cc[nH+]c3cc(F)c(Cl)cc23)CCOCC1 ZINC000630524802 399898583 /nfs/dbraw/zinc/89/85/83/399898583.db2.gz XZCRWSISKWRKBO-UHFFFAOYSA-N 2 1 309.772 2.947 20 0 DFADMP Brc1ccc2[nH+]ccc(N3C[C@@H]4C[C@H]3C[NH2+]4)c2c1 ZINC000630553389 399902497 /nfs/dbraw/zinc/90/24/97/399902497.db2.gz GOVXOOOSTLWNEK-QWRGUYRKSA-N 2 1 304.191 2.548 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631055421 399970801 /nfs/dbraw/zinc/97/08/01/399970801.db2.gz RYAQZGNTKLYAIE-UHFFFAOYSA-N 2 1 304.482 2.653 20 0 DFADMP Cc1cc(C)c(/C=C/C[NH2+]C2CC[NH+](CCO)CC2)c(C)c1 ZINC000631063483 399972462 /nfs/dbraw/zinc/97/24/62/399972462.db2.gz ALCBGNULYIQYMD-SNAWJCMRSA-N 2 1 302.462 2.671 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1ccncc1Br ZINC000631079951 399976619 /nfs/dbraw/zinc/97/66/19/399976619.db2.gz MGCPIZFCCCHEAU-UHFFFAOYSA-N 2 1 323.238 2.919 20 0 DFADMP CC[C@@H]1[C@@H](C(=O)NCCCC[NH+]2C[C@@H](C)C[C@H](C)C2)CC[N@H+]1C ZINC000630749391 399924540 /nfs/dbraw/zinc/92/45/40/399924540.db2.gz GTVAYJABMQZTMV-XLAORIBOSA-N 2 1 323.525 2.591 20 0 DFADMP CCC1([NH+]2CCCC2)CCN(c2cc(CO)cc(C)[nH+]2)CC1 ZINC000631447699 400039178 /nfs/dbraw/zinc/03/91/78/400039178.db2.gz ATVUAZJNKCYORN-UHFFFAOYSA-N 2 1 303.450 2.727 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000628544332 400039542 /nfs/dbraw/zinc/03/95/42/400039542.db2.gz DLXBOLRBHRAUMO-ZBFHGGJFSA-N 2 1 309.498 2.676 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1 ZINC000631179544 399997546 /nfs/dbraw/zinc/99/75/46/399997546.db2.gz UVTRXNSDCYWUMW-GOSISDBHSA-N 2 1 315.461 2.857 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1 ZINC000631179544 399997548 /nfs/dbraw/zinc/99/75/48/399997548.db2.gz UVTRXNSDCYWUMW-GOSISDBHSA-N 2 1 315.461 2.857 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)[C@@H](C)O1 ZINC000631195707 400000847 /nfs/dbraw/zinc/00/08/47/400000847.db2.gz ZXMPXWDZNOOJRZ-SGFSRKTBSA-N 2 1 302.462 2.910 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631196651 400001538 /nfs/dbraw/zinc/00/15/38/400001538.db2.gz UYVNFXYFFKXYJD-QFHJOOASSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cnn1C ZINC000631196189 400001632 /nfs/dbraw/zinc/00/16/32/400001632.db2.gz OHYXLRCQMHCIHM-KXBFYZLASA-N 2 1 312.461 2.586 20 0 DFADMP CCC[C@H](CCO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000631199360 400001802 /nfs/dbraw/zinc/00/18/02/400001802.db2.gz PTDGASPGOXXGHH-GOSISDBHSA-N 2 1 322.468 2.973 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+]CCCC[N@H+]2CCC[C@@H]2CO)cc1 ZINC000628217295 400003551 /nfs/dbraw/zinc/00/35/51/400003551.db2.gz ROTHRRWALQOLBN-IEBWSBKVSA-N 2 1 304.478 2.925 20 0 DFADMP Cc1ncc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)o1 ZINC000628243013 400007026 /nfs/dbraw/zinc/00/70/26/400007026.db2.gz ZFJBQZKSVHSWPG-AWEZNQCLSA-N 2 1 300.406 2.814 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)o1 ZINC000628243013 400007027 /nfs/dbraw/zinc/00/70/27/400007027.db2.gz ZFJBQZKSVHSWPG-AWEZNQCLSA-N 2 1 300.406 2.814 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+]CCC[NH+]1CCCC1 ZINC000631564203 400051724 /nfs/dbraw/zinc/05/17/24/400051724.db2.gz FEWOHKCWTGNYIN-INIZCTEOSA-N 2 1 304.434 2.984 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000631655717 400062613 /nfs/dbraw/zinc/06/26/13/400062613.db2.gz WNPDFAMKCRACET-KVPRVUCYSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000631655717 400062614 /nfs/dbraw/zinc/06/26/14/400062614.db2.gz WNPDFAMKCRACET-KVPRVUCYSA-N 2 1 310.388 2.867 20 0 DFADMP CC[NH+]1CCC(NC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667160 400064411 /nfs/dbraw/zinc/06/44/11/400064411.db2.gz LQBNNVGIFBKRPB-HKUYNNGSSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667160 400064412 /nfs/dbraw/zinc/06/44/12/400064412.db2.gz LQBNNVGIFBKRPB-HKUYNNGSSA-N 3 1 315.505 2.828 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000631667160 400064413 /nfs/dbraw/zinc/06/44/13/400064413.db2.gz LQBNNVGIFBKRPB-HKUYNNGSSA-N 3 1 315.505 2.828 20 0 DFADMP C[N@@H+](CCC(=O)NC[C@@H]1CC[NH+]1C1CCCC1)C1CCCCC1 ZINC000628965034 400066734 /nfs/dbraw/zinc/06/67/34/400066734.db2.gz SZLDKRJTMKIYNZ-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000628965034 400066736 /nfs/dbraw/zinc/06/67/36/400066736.db2.gz SZLDKRJTMKIYNZ-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)C1CCCCC1 ZINC000628965034 400066738 /nfs/dbraw/zinc/06/67/38/400066738.db2.gz SZLDKRJTMKIYNZ-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)[C@@H](O)C(F)(F)F ZINC000631718278 400069686 /nfs/dbraw/zinc/06/96/86/400069686.db2.gz INTKSSGIBNCVCB-RJZRQDKASA-N 2 1 322.415 2.931 20 0 DFADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)C1([C@H]2CCCCO2)CCC1 ZINC000631732333 400071028 /nfs/dbraw/zinc/07/10/28/400071028.db2.gz HWKSCFYXMMKAFY-ZWKOTPCHSA-N 2 1 322.493 2.569 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631742244 400071398 /nfs/dbraw/zinc/07/13/98/400071398.db2.gz OCDGRTRNVXDJQR-OYSTVDSJSA-N 2 1 300.446 2.685 20 0 DFADMP C[N@@H+]1CC[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC000631790268 400075302 /nfs/dbraw/zinc/07/53/02/400075302.db2.gz KVQLIDLJJNVKKV-KRWDZBQOSA-N 2 1 305.441 2.821 20 0 DFADMP C[N@H+]1CC[C@H]([NH+]2CCN(c3cccc(F)c3)CC2)CC1(C)C ZINC000631790268 400075304 /nfs/dbraw/zinc/07/53/04/400075304.db2.gz KVQLIDLJJNVKKV-KRWDZBQOSA-N 2 1 305.441 2.821 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000631821578 400077669 /nfs/dbraw/zinc/07/76/69/400077669.db2.gz CDTPMVYISHWLAQ-VYDXJSESSA-N 2 1 305.466 2.558 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@@H](C)C(=O)N[C@H](C)c1ccccc1 ZINC000631821578 400077670 /nfs/dbraw/zinc/07/76/70/400077670.db2.gz CDTPMVYISHWLAQ-VYDXJSESSA-N 2 1 305.466 2.558 20 0 DFADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)co2)c1 ZINC000631823818 400077727 /nfs/dbraw/zinc/07/77/27/400077727.db2.gz OKQPUQILJFXFOK-XKQJLSEDSA-N 2 1 313.401 2.519 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)co2)c1 ZINC000631823818 400077728 /nfs/dbraw/zinc/07/77/28/400077728.db2.gz OKQPUQILJFXFOK-XKQJLSEDSA-N 2 1 313.401 2.519 20 0 DFADMP Cc1cc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)c(C)n1 ZINC000631829550 400078105 /nfs/dbraw/zinc/07/81/05/400078105.db2.gz UBAHQPOUWMFEOO-JENIJYKNSA-N 2 1 317.477 2.725 20 0 DFADMP C[C@@H](CCNC(=O)[C@]1(C)CCCC[NH2+]1)[N@@H+](C)Cc1ccccc1 ZINC000237562854 146046384 /nfs/dbraw/zinc/04/63/84/146046384.db2.gz QTRLXFDEVLUOJD-LPHOPBHVSA-N 2 1 317.477 2.545 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586604 146085369 /nfs/dbraw/zinc/08/53/69/146085369.db2.gz DYISIGCXXRQRDV-MOPGFXCFSA-N 2 1 302.462 2.804 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586604 146085372 /nfs/dbraw/zinc/08/53/72/146085372.db2.gz DYISIGCXXRQRDV-MOPGFXCFSA-N 2 1 302.462 2.804 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586604 146085376 /nfs/dbraw/zinc/08/53/76/146085376.db2.gz DYISIGCXXRQRDV-MOPGFXCFSA-N 2 1 302.462 2.804 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+](CCc1ccccc1)[C@H]1CCOC1 ZINC000245586604 146085379 /nfs/dbraw/zinc/08/53/79/146085379.db2.gz DYISIGCXXRQRDV-MOPGFXCFSA-N 2 1 302.462 2.804 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(c2nc3cccc(F)c3n2C)C1 ZINC000443510181 543358038 /nfs/dbraw/zinc/35/80/38/543358038.db2.gz OYJBVTSOAHWLFW-CYBMUJFWSA-N 2 1 304.413 2.881 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)CC[N@H+]1C ZINC000246266520 146135343 /nfs/dbraw/zinc/13/53/43/146135343.db2.gz AFKIHRLDPSCWNF-KBAYOESNSA-N 2 1 304.478 2.861 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247110149 146162610 /nfs/dbraw/zinc/16/26/10/146162610.db2.gz QLGZXKRCFKXCJD-QFBILLFUSA-N 2 1 301.478 2.975 20 0 DFADMP O[C@@H]1CC[C@H](C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000249038460 146184834 /nfs/dbraw/zinc/18/48/34/146184834.db2.gz GKESKQXWQQGAHL-OMQSBVIBSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000249158051 146190294 /nfs/dbraw/zinc/19/02/94/146190294.db2.gz XQICSZKVXIJUAK-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000249158051 146190296 /nfs/dbraw/zinc/19/02/96/146190296.db2.gz XQICSZKVXIJUAK-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000249158051 146190300 /nfs/dbraw/zinc/19/03/00/146190300.db2.gz XQICSZKVXIJUAK-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Br)ccc1F ZINC000261554902 146239935 /nfs/dbraw/zinc/23/99/35/146239935.db2.gz PHXHXQBYXACWPN-RNCFNFMXSA-N 2 1 301.203 2.676 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3sccc3Br)C[C@H]12 ZINC000261564851 146240519 /nfs/dbraw/zinc/24/05/19/146240519.db2.gz CUIFASVWOMAYHS-WCABBAIRSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3sccc3Br)C[C@H]12 ZINC000261564851 146240523 /nfs/dbraw/zinc/24/05/23/146240523.db2.gz CUIFASVWOMAYHS-WCABBAIRSA-N 2 1 301.253 2.680 20 0 DFADMP CCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261556874 146240932 /nfs/dbraw/zinc/24/09/32/146240932.db2.gz WKXSYEJVGDTXQD-RBUKOAKNSA-N 2 1 301.478 2.582 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C[C@H](C)[NH3+])c1 ZINC000261728368 146266733 /nfs/dbraw/zinc/26/67/33/146266733.db2.gz FRWHKXBITKIKCB-ZDUSSCGKSA-N 2 1 300.406 2.731 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@]1(C)CC[NH2+]C1 ZINC000261736428 146267918 /nfs/dbraw/zinc/26/79/18/146267918.db2.gz HVKNYNMYGOICDP-WOJBJXKFSA-N 2 1 315.505 2.830 20 0 DFADMP CC(C)(C)c1ccc(C[N@H+]2CC[C@@H](N3CC[NH2+]CC3)C2)s1 ZINC000261731760 146268039 /nfs/dbraw/zinc/26/80/39/146268039.db2.gz RIDUFKZXSRFJPE-CQSZACIVSA-N 2 1 307.507 2.525 20 0 DFADMP C[C@]1(C[N@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000261741999 146269895 /nfs/dbraw/zinc/26/98/95/146269895.db2.gz IMOKQCYVILKOBR-HNNXBMFYSA-N 2 1 317.260 2.787 20 0 DFADMP C[C@]1(C[N@@H+](CCO)Cc2ccc(Cl)c(Cl)c2)CC[NH2+]C1 ZINC000261741999 146269897 /nfs/dbraw/zinc/26/98/97/146269897.db2.gz IMOKQCYVILKOBR-HNNXBMFYSA-N 2 1 317.260 2.787 20 0 DFADMP c1cn(-c2ccc(C[NH+]3CCC([NH2+]CC4CC4)CC3)cc2)cn1 ZINC000261757419 146271616 /nfs/dbraw/zinc/27/16/16/146271616.db2.gz PNMXMRRFIPIWFY-UHFFFAOYSA-N 2 1 310.445 2.836 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+]3CCC[C@H]3C[NH3+])CCC2)c1 ZINC000261827886 146284404 /nfs/dbraw/zinc/28/44/04/146284404.db2.gz ADCZJMSKYPETQX-KRWDZBQOSA-N 2 1 318.461 2.805 20 0 DFADMP COCc1cccc(OCC2(C[N@H+]3CCC[C@H]3C[NH3+])CCC2)c1 ZINC000261827886 146284405 /nfs/dbraw/zinc/28/44/05/146284405.db2.gz ADCZJMSKYPETQX-KRWDZBQOSA-N 2 1 318.461 2.805 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1 ZINC000261844392 146287243 /nfs/dbraw/zinc/28/72/43/146287243.db2.gz CXEARRLJIGQVAC-MRXNPFEDSA-N 2 1 303.450 2.611 20 0 DFADMP Cc1cc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000261882739 146294955 /nfs/dbraw/zinc/29/49/55/146294955.db2.gz FOXAEVXSACOHJS-ZCNNSNEGSA-N 2 1 316.489 2.901 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@](C)(C[NH3+])C2)cc1OCC(C)C ZINC000261916966 146301148 /nfs/dbraw/zinc/30/11/48/146301148.db2.gz YGAMMWBGQUTNPK-GOSISDBHSA-N 2 1 306.450 2.901 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@](C)(C[NH3+])C2)cc1OCC(C)C ZINC000261916966 146301151 /nfs/dbraw/zinc/30/11/51/146301151.db2.gz YGAMMWBGQUTNPK-GOSISDBHSA-N 2 1 306.450 2.901 20 0 DFADMP Cc1cc(C)cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c1 ZINC000261930982 146303859 /nfs/dbraw/zinc/30/38/59/146303859.db2.gz LSFAJFRTIQJCRU-QRVBRYPASA-N 2 1 302.462 2.593 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000261931585 146304329 /nfs/dbraw/zinc/30/43/29/146304329.db2.gz JUJFXNDEBFQDFD-LLVKDONJSA-N 2 1 320.824 2.550 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc3ccc(Cl)cc3c(=O)[nH]2)C1 ZINC000261931585 146304334 /nfs/dbraw/zinc/30/43/34/146304334.db2.gz JUJFXNDEBFQDFD-LLVKDONJSA-N 2 1 320.824 2.550 20 0 DFADMP Fc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)CC2)c1 ZINC000261934891 146306243 /nfs/dbraw/zinc/30/62/43/146306243.db2.gz MDOZFFJFWJELSV-KZNAEPCWSA-N 2 1 318.436 2.604 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000261940277 146306260 /nfs/dbraw/zinc/30/62/60/146306260.db2.gz LFUKHOHRXKWUHO-CQSZACIVSA-N 2 1 300.402 2.533 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2cc(=O)oc3cc(C)ccc23)C1 ZINC000261940277 146306264 /nfs/dbraw/zinc/30/62/64/146306264.db2.gz LFUKHOHRXKWUHO-CQSZACIVSA-N 2 1 300.402 2.533 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(Cc2cnc(N)s2)C1 ZINC000261952895 146309468 /nfs/dbraw/zinc/30/94/68/146309468.db2.gz GDIGYTBPGLBQNR-ZIAGYGMSSA-N 2 1 308.495 2.812 20 0 DFADMP COc1ccc(Cl)cc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261970216 146310973 /nfs/dbraw/zinc/31/09/73/146310973.db2.gz QKKNZHAKUXRVPR-ARFHVFGLSA-N 2 1 324.852 2.595 20 0 DFADMP c1ccc(C2CC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000261964587 146311693 /nfs/dbraw/zinc/31/16/93/146311693.db2.gz PZEWVEVBJBGODS-DUBPFDJUSA-N 2 1 300.446 2.679 20 0 DFADMP Cc1sc2[nH]c(C[N@@H+]3CCC[C@@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000261979229 146315644 /nfs/dbraw/zinc/31/56/44/146315644.db2.gz RDLLUBCUHJMGFE-LBPRGKRZSA-N 2 1 320.462 2.575 20 0 DFADMP Cc1sc2[nH]c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)nc(=O)c2c1C ZINC000261979229 146315656 /nfs/dbraw/zinc/31/56/56/146315656.db2.gz RDLLUBCUHJMGFE-LBPRGKRZSA-N 2 1 320.462 2.575 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2cn(-c3ccccc3)nn2)CC1 ZINC000261990300 146316696 /nfs/dbraw/zinc/31/66/96/146316696.db2.gz LRPXEBXQFQDJRA-OAHLLOKOSA-N 2 1 313.449 2.650 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262005107 146320396 /nfs/dbraw/zinc/32/03/96/146320396.db2.gz UMPKNEJKADJVOO-CGTJXYLNSA-N 2 1 310.445 2.740 20 0 DFADMP FC(F)(F)c1cc([C@@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000262000939 146320481 /nfs/dbraw/zinc/32/04/81/146320481.db2.gz UCRYZIFJZFWYDD-VXGBXAGGSA-N 2 1 316.371 2.608 20 0 DFADMP Cc1cc(C)c(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000262016272 146321907 /nfs/dbraw/zinc/32/19/07/146321907.db2.gz WAZHMZSWYALUGT-QRQLOZEOSA-N 2 1 302.462 2.859 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)[C@@H](C)C[N@H+]1CC1CC[NH2+]CC1 ZINC000262014956 146322304 /nfs/dbraw/zinc/32/23/04/146322304.db2.gz VPRKJQXDSGLVAM-DLBZAZTESA-N 2 1 301.478 2.581 20 0 DFADMP CCC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)C1CC[NH2+]CC1 ZINC000262020238 146323793 /nfs/dbraw/zinc/32/37/93/146323793.db2.gz WAVBZHCJGGXHKF-UHFFFAOYSA-N 2 1 319.474 2.564 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000262018960 146323849 /nfs/dbraw/zinc/32/38/49/146323849.db2.gz MYZSKAIUSVNWHL-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)c2)nc1 ZINC000262018960 146323850 /nfs/dbraw/zinc/32/38/50/146323850.db2.gz MYZSKAIUSVNWHL-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(-c2ccnn2C)c1 ZINC000262037059 146325798 /nfs/dbraw/zinc/32/57/98/146325798.db2.gz XVCAXRHXGRHREN-MRXNPFEDSA-N 2 1 312.461 2.956 20 0 DFADMP CCc1ccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262052667 146327217 /nfs/dbraw/zinc/32/72/17/146327217.db2.gz ZUFMKEONXUTNBE-QRVBRYPASA-N 2 1 302.462 2.538 20 0 DFADMP Cc1ccc(SCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262049927 146327277 /nfs/dbraw/zinc/32/72/77/146327277.db2.gz ZOJSZTQFNOTVNI-KURKYZTESA-N 2 1 320.502 2.834 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000262095158 146333415 /nfs/dbraw/zinc/33/34/15/146333415.db2.gz BHCGPSPJMLXYTM-GOSISDBHSA-N 2 1 309.498 2.619 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096534 146333499 /nfs/dbraw/zinc/33/34/99/146333499.db2.gz HZAKBIRLFFKMDC-NEPJUHHUSA-N 2 1 300.805 2.917 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096534 146333502 /nfs/dbraw/zinc/33/35/02/146333502.db2.gz HZAKBIRLFFKMDC-NEPJUHHUSA-N 2 1 300.805 2.917 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3Cl)C[C@H]21 ZINC000262099672 146333595 /nfs/dbraw/zinc/33/35/95/146333595.db2.gz ISSDVUPJBCMQMZ-UMVBOHGHSA-N 2 1 321.852 2.728 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)C1C[NH2+]C1 ZINC000262339775 146352645 /nfs/dbraw/zinc/35/26/45/146352645.db2.gz HTACOVOZXIGRFH-HUUCEWRRSA-N 2 1 315.461 2.855 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(Cl)c3)C[C@@H]21 ZINC000262344636 146352665 /nfs/dbraw/zinc/35/26/65/146352665.db2.gz UPQNJXWBOZWNJV-VBNZEHGJSA-N 2 1 321.852 2.728 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262388304 146355587 /nfs/dbraw/zinc/35/55/87/146355587.db2.gz ZKGAERIGOUDILB-JGGQBBKZSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1Cl ZINC000262388304 146355588 /nfs/dbraw/zinc/35/55/88/146355588.db2.gz ZKGAERIGOUDILB-JGGQBBKZSA-N 2 1 321.852 2.646 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)cc1OC(F)F ZINC000262422545 146358588 /nfs/dbraw/zinc/35/85/88/146358588.db2.gz FCXJAEQKZCACOI-CYBMUJFWSA-N 2 1 314.376 2.871 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000354408081 147024738 /nfs/dbraw/zinc/02/47/38/147024738.db2.gz LFFRPFOJIFHJBP-QFBILLFUSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCCC1 ZINC000354408081 147024741 /nfs/dbraw/zinc/02/47/41/147024741.db2.gz LFFRPFOJIFHJBP-QFBILLFUSA-N 2 1 302.462 2.792 20 0 DFADMP CCOC[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000354421675 147030251 /nfs/dbraw/zinc/03/02/51/147030251.db2.gz RZWIWMROUYFVQJ-FUHWJXTLSA-N 2 1 312.498 2.671 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC000354809736 147159562 /nfs/dbraw/zinc/15/95/62/147159562.db2.gz IVSZEMXJSAKLOV-QZTJIDSGSA-N 2 1 323.525 2.734 20 0 DFADMP CCc1noc(C2CCC([NH2+]C[C@H](C)[NH+](CC)CC)CC2)n1 ZINC000355288456 147254164 /nfs/dbraw/zinc/25/41/64/147254164.db2.gz IAJUMZQIHFWFSE-NFOMZHRRSA-N 2 1 308.470 2.978 20 0 DFADMP C[C@H](O)CCC[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000355318657 147262076 /nfs/dbraw/zinc/26/20/76/147262076.db2.gz QMNUARZCBJHISG-INIZCTEOSA-N 2 1 305.466 2.781 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000355411817 147305859 /nfs/dbraw/zinc/30/58/59/147305859.db2.gz KHTQEGMJHNJUQT-HNNXBMFYSA-N 2 1 311.514 2.924 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000598969322 543468283 /nfs/dbraw/zinc/46/82/83/543468283.db2.gz FHKQKJSIENGJAO-XLDJFRKUSA-N 2 1 308.491 2.947 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc([S@@](C)=O)cc1 ZINC000598969322 543468285 /nfs/dbraw/zinc/46/82/85/543468285.db2.gz FHKQKJSIENGJAO-XLDJFRKUSA-N 2 1 308.491 2.947 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000350180724 286015924 /nfs/dbraw/zinc/01/59/24/286015924.db2.gz HILICBHDSACABT-LJQANCHMSA-N 2 1 304.478 2.970 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000357788816 148122710 /nfs/dbraw/zinc/12/27/10/148122710.db2.gz DBNVKSQLODAJSZ-CXAGYDPISA-N 2 1 317.408 2.953 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000350222275 286019763 /nfs/dbraw/zinc/01/97/63/286019763.db2.gz RPOKACQZCCAUCR-OAHLLOKOSA-N 2 1 317.433 2.761 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000350222275 286019765 /nfs/dbraw/zinc/01/97/65/286019765.db2.gz RPOKACQZCCAUCR-OAHLLOKOSA-N 2 1 317.433 2.761 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1nc(-c2ccncc2)cs1 ZINC000358061534 148229259 /nfs/dbraw/zinc/22/92/59/148229259.db2.gz LZOWZWDPWWELNX-UKRRQHHQSA-N 2 1 316.474 2.677 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1cc(Cl)c2c(c1)OCCO2 ZINC000358080284 148236054 /nfs/dbraw/zinc/23/60/54/148236054.db2.gz GEEGWILKEZDABX-IUODEOHRSA-N 2 1 324.852 2.584 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)CC[N@H+]1C ZINC000358104805 148246411 /nfs/dbraw/zinc/24/64/11/148246411.db2.gz YYIKXNQIFMTOQE-AYBZRNKSSA-N 2 1 318.461 2.817 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1nc2ccccc2n1C(F)F ZINC000358168963 148268035 /nfs/dbraw/zinc/26/80/35/148268035.db2.gz OLPBYULNXZBRGM-STQMWFEESA-N 2 1 322.403 2.904 20 0 DFADMP c1c(C[NH2+][C@H](c2cccnc2)C2CC2)onc1C1CC[NH2+]CC1 ZINC000425898289 296603361 /nfs/dbraw/zinc/60/33/61/296603361.db2.gz YORWRMZMGKYUHL-SFHVURJKSA-N 2 1 312.417 2.778 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)CCC2 ZINC000358251560 148303115 /nfs/dbraw/zinc/30/31/15/148303115.db2.gz KRLXCTWLCMVXBS-OALUTQOASA-N 2 1 302.462 2.844 20 0 DFADMP CC(C)c1ccc2c(c1)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)CCC2 ZINC000358251560 148303121 /nfs/dbraw/zinc/30/31/21/148303121.db2.gz KRLXCTWLCMVXBS-OALUTQOASA-N 2 1 302.462 2.844 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C[C@@H](c2ccccc2)C1 ZINC000358254427 148305204 /nfs/dbraw/zinc/30/52/04/148305204.db2.gz POIFEZXHWIXLKS-WNHJNPCNSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C[C@@H](c2ccccc2)C1 ZINC000358254427 148305208 /nfs/dbraw/zinc/30/52/08/148305208.db2.gz POIFEZXHWIXLKS-WNHJNPCNSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@H+](C)C2)C[C@@H](c2ccccc2)C1 ZINC000358254424 148305696 /nfs/dbraw/zinc/30/56/96/148305696.db2.gz POIFEZXHWIXLKS-DSLXNQLJSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@]2(O)CC[N@@H+](C)C2)C[C@@H](c2ccccc2)C1 ZINC000358254424 148305698 /nfs/dbraw/zinc/30/56/98/148305698.db2.gz POIFEZXHWIXLKS-DSLXNQLJSA-N 2 1 302.462 2.615 20 0 DFADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@]2(O)CC[N@H+](C)C2)cc1 ZINC000358255542 148305761 /nfs/dbraw/zinc/30/57/61/148305761.db2.gz RBXOXYOCQBFWJF-OALUTQOASA-N 2 1 320.477 2.829 20 0 DFADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358255542 148305764 /nfs/dbraw/zinc/30/57/64/148305764.db2.gz RBXOXYOCQBFWJF-OALUTQOASA-N 2 1 320.477 2.829 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCC2 ZINC000425915587 296604387 /nfs/dbraw/zinc/60/43/87/296604387.db2.gz APCBOAASBNPHDC-TZMCWYRMSA-N 2 1 322.449 2.929 20 0 DFADMP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(OC2CCC2)n1 ZINC000358347562 148337152 /nfs/dbraw/zinc/33/71/52/148337152.db2.gz BWRIAZCLBXJJRN-HOTGVXAUSA-N 2 1 301.434 2.729 20 0 DFADMP c1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc(OC2CCC2)n1 ZINC000358347562 148337157 /nfs/dbraw/zinc/33/71/57/148337157.db2.gz BWRIAZCLBXJJRN-HOTGVXAUSA-N 2 1 301.434 2.729 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2Oc3ccccc3[C@H]2C)CC1 ZINC000358408908 148350574 /nfs/dbraw/zinc/35/05/74/148350574.db2.gz VMHPNFIAZDLSCC-SPYBWZPUSA-N 2 1 318.461 2.640 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503345 148380747 /nfs/dbraw/zinc/38/07/47/148380747.db2.gz FKGXOQALENEZAC-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358503345 148380749 /nfs/dbraw/zinc/38/07/49/148380749.db2.gz FKGXOQALENEZAC-ZDUSSCGKSA-N 2 1 321.852 2.743 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](CC)CC ZINC000358569317 148388234 /nfs/dbraw/zinc/38/82/34/148388234.db2.gz VPGZMJBGSUNYDA-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP CC[N@H+](Cc1ccccc1N1CC[NH+](CC)CC1)C[C@H](C)OC ZINC000361018333 149008573 /nfs/dbraw/zinc/00/85/73/149008573.db2.gz RWHUFMLOFCPWBP-KRWDZBQOSA-N 2 1 319.493 2.685 20 0 DFADMP CC(C)[NH+]1CCC(Nc2cccc(C[N@H+]3CC[C@H](O)C3)c2)CC1 ZINC000361044166 149016558 /nfs/dbraw/zinc/01/65/58/149016558.db2.gz KJVRIRKDSYUIMH-IBGZPJMESA-N 2 1 317.477 2.538 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](C2CC2)C1 ZINC000361070253 149022135 /nfs/dbraw/zinc/02/21/35/149022135.db2.gz UPGGYLPDUSOYHY-IMFGXOCKSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](C2CC2)C1 ZINC000361070253 149022136 /nfs/dbraw/zinc/02/21/36/149022136.db2.gz UPGGYLPDUSOYHY-IMFGXOCKSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361070253 149022138 /nfs/dbraw/zinc/02/21/38/149022138.db2.gz UPGGYLPDUSOYHY-IMFGXOCKSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000361070253 149022139 /nfs/dbraw/zinc/02/21/39/149022139.db2.gz UPGGYLPDUSOYHY-IMFGXOCKSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCc1ccsc1 ZINC000361084881 149025314 /nfs/dbraw/zinc/02/53/14/149025314.db2.gz BVTBYMQHJVOYSS-IKGGRYGDSA-N 2 1 308.491 2.864 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000361290903 149076220 /nfs/dbraw/zinc/07/62/20/149076220.db2.gz QGRPTRRYRYISDQ-SZVBFZGTSA-N 2 1 302.462 2.602 20 0 DFADMP C[NH+](C)C1(CNC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CCCC1 ZINC000361541330 149142099 /nfs/dbraw/zinc/14/20/99/149142099.db2.gz OGHAFOWZSNRYMM-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1nn(C(C)C)cc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000361887211 149246416 /nfs/dbraw/zinc/24/64/16/149246416.db2.gz CUKNFTYJIMMOEH-IYBDPMFKSA-N 2 1 322.497 2.751 20 0 DFADMP C[C@@H]1CN(C)C[C@@H]1[NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361970013 149267650 /nfs/dbraw/zinc/26/76/50/149267650.db2.gz FEASUMZQBDYZOG-JOMPHRNESA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000361970013 149267652 /nfs/dbraw/zinc/26/76/52/149267652.db2.gz FEASUMZQBDYZOG-JOMPHRNESA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1N[C@H]1[C@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000361970013 149267656 /nfs/dbraw/zinc/26/76/56/149267656.db2.gz FEASUMZQBDYZOG-JOMPHRNESA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000361970013 149267658 /nfs/dbraw/zinc/26/76/58/149267658.db2.gz FEASUMZQBDYZOG-JOMPHRNESA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@@H]1N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000361970013 149267661 /nfs/dbraw/zinc/26/76/61/149267661.db2.gz FEASUMZQBDYZOG-JOMPHRNESA-N 2 1 315.505 2.683 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccsc1 ZINC000362803185 149367783 /nfs/dbraw/zinc/36/77/83/149367783.db2.gz SPBPUHFQCQHVNH-HYVNUMGLSA-N 2 1 308.491 2.770 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]12 ZINC000351473207 286129037 /nfs/dbraw/zinc/12/90/37/286129037.db2.gz CMLNGKFHWINMHD-VHDGCEQUSA-N 2 1 301.365 2.650 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ncc(-c4cccc(F)c4)o3)C[C@H]12 ZINC000351473207 286129038 /nfs/dbraw/zinc/12/90/38/286129038.db2.gz CMLNGKFHWINMHD-VHDGCEQUSA-N 2 1 301.365 2.650 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000351479513 286130716 /nfs/dbraw/zinc/13/07/16/286130716.db2.gz RIZIOUGDKFODCM-YTQUADARSA-N 2 1 310.445 2.658 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]12 ZINC000351482137 286131501 /nfs/dbraw/zinc/13/15/01/286131501.db2.gz ZBLNUVYASXVFID-AXAPSJFSSA-N 2 1 319.355 2.789 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3coc(-c4ccc(F)c(F)c4)n3)C[C@@H]12 ZINC000351482137 286131502 /nfs/dbraw/zinc/13/15/02/286131502.db2.gz ZBLNUVYASXVFID-AXAPSJFSSA-N 2 1 319.355 2.789 20 0 DFADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)cc1C ZINC000351481287 286131592 /nfs/dbraw/zinc/13/15/92/286131592.db2.gz XAVMEHGROHHNDV-OALUTQOASA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)cc1C ZINC000351481287 286131593 /nfs/dbraw/zinc/13/15/93/286131593.db2.gz XAVMEHGROHHNDV-OALUTQOASA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1C ZINC000351481287 286131594 /nfs/dbraw/zinc/13/15/94/286131594.db2.gz XAVMEHGROHHNDV-OALUTQOASA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc([C@@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)cc1C ZINC000351481287 286131595 /nfs/dbraw/zinc/13/15/95/286131595.db2.gz XAVMEHGROHHNDV-OALUTQOASA-N 2 1 302.462 2.895 20 0 DFADMP CCCCN(Cc1ccccc1F)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351443793 286126377 /nfs/dbraw/zinc/12/63/77/286126377.db2.gz NPUASIPUDUUBLU-KRWDZBQOSA-N 2 1 308.441 2.883 20 0 DFADMP CCCCN(Cc1ccccc1F)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000351443812 286126579 /nfs/dbraw/zinc/12/65/79/286126579.db2.gz NPUASIPUDUUBLU-QGZVFWFLSA-N 2 1 308.441 2.883 20 0 DFADMP CN(C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493280 286134647 /nfs/dbraw/zinc/13/46/47/286134647.db2.gz VFPPJOVIDRKTLQ-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493280 286134649 /nfs/dbraw/zinc/13/46/49/286134649.db2.gz VFPPJOVIDRKTLQ-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493280 286134651 /nfs/dbraw/zinc/13/46/51/286134651.db2.gz VFPPJOVIDRKTLQ-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1)C1CC1 ZINC000351493280 286134653 /nfs/dbraw/zinc/13/46/53/286134653.db2.gz VFPPJOVIDRKTLQ-OALUTQOASA-N 2 1 302.462 2.539 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)c1C ZINC000351492453 286134667 /nfs/dbraw/zinc/13/46/67/286134667.db2.gz LHOZRLHJRQKITR-RYQLBKOJSA-N 2 1 300.446 2.984 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1)C1CC1 ZINC000351538096 286146984 /nfs/dbraw/zinc/14/69/84/286146984.db2.gz QXCKCMUUDNBDQY-WOJBJXKFSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1)C1CC1 ZINC000351538096 286146988 /nfs/dbraw/zinc/14/69/88/286146988.db2.gz QXCKCMUUDNBDQY-WOJBJXKFSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCc1ccccc1)C1CC1 ZINC000351538096 286146990 /nfs/dbraw/zinc/14/69/90/286146990.db2.gz QXCKCMUUDNBDQY-WOJBJXKFSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H]1CCCc1ccccc1)C1CC1 ZINC000351538096 286146993 /nfs/dbraw/zinc/14/69/93/286146993.db2.gz QXCKCMUUDNBDQY-WOJBJXKFSA-N 2 1 316.489 2.929 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000371196255 150001148 /nfs/dbraw/zinc/00/11/48/150001148.db2.gz COOFSSLAJFMILO-INIZCTEOSA-N 2 1 300.406 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](Oc2ccccn2)C1 ZINC000371196255 150001150 /nfs/dbraw/zinc/00/11/50/150001150.db2.gz COOFSSLAJFMILO-INIZCTEOSA-N 2 1 300.406 2.520 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000371265710 150012401 /nfs/dbraw/zinc/01/24/01/150012401.db2.gz DJSIHCPWDBPTPW-ROUUACIJSA-N 2 1 301.478 2.707 20 0 DFADMP CCOc1ccccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371291914 150015987 /nfs/dbraw/zinc/01/59/87/150015987.db2.gz AHCWIRTZBYFTNS-ZIFCJYIRSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371291914 150015990 /nfs/dbraw/zinc/01/59/90/150015990.db2.gz AHCWIRTZBYFTNS-ZIFCJYIRSA-N 2 1 318.461 2.769 20 0 DFADMP Cc1ccc(CC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1 ZINC000371295590 150017355 /nfs/dbraw/zinc/01/73/55/150017355.db2.gz SRRJBLBZCWWKMD-GUDVDZBRSA-N 2 1 302.462 2.721 20 0 DFADMP Cc1ccccc1OCC[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000371295684 150017704 /nfs/dbraw/zinc/01/77/04/150017704.db2.gz UHWSJEPUDPKHRE-ZIFCJYIRSA-N 2 1 318.461 2.557 20 0 DFADMP COc1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc(OC)c1 ZINC000371403570 150040239 /nfs/dbraw/zinc/04/02/39/150040239.db2.gz UPWMQQMWAYTTLS-MNEFBYGVSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc(OC)c1 ZINC000371403570 150040242 /nfs/dbraw/zinc/04/02/42/150040242.db2.gz UPWMQQMWAYTTLS-MNEFBYGVSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc(OC)c1 ZINC000371403570 150040245 /nfs/dbraw/zinc/04/02/45/150040245.db2.gz UPWMQQMWAYTTLS-MNEFBYGVSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc(OC)c1 ZINC000371403570 150040246 /nfs/dbraw/zinc/04/02/46/150040246.db2.gz UPWMQQMWAYTTLS-MNEFBYGVSA-N 2 1 316.445 2.620 20 0 DFADMP COc1cc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc(OC)c1 ZINC000371403570 150040250 /nfs/dbraw/zinc/04/02/50/150040250.db2.gz UPWMQQMWAYTTLS-MNEFBYGVSA-N 2 1 316.445 2.620 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402792 150040595 /nfs/dbraw/zinc/04/05/95/150040595.db2.gz BQMWAMKGOBUAKB-NEWSRXKRSA-N 2 1 322.456 2.993 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402792 150040599 /nfs/dbraw/zinc/04/05/99/150040599.db2.gz BQMWAMKGOBUAKB-NEWSRXKRSA-N 2 1 322.456 2.993 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000371402792 150040601 /nfs/dbraw/zinc/04/06/01/150040601.db2.gz BQMWAMKGOBUAKB-NEWSRXKRSA-N 2 1 322.456 2.993 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371466155 150051637 /nfs/dbraw/zinc/05/16/37/150051637.db2.gz LTSOZFDZDVQROH-BHIYHBOVSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000371466155 150051638 /nfs/dbraw/zinc/05/16/38/150051638.db2.gz LTSOZFDZDVQROH-BHIYHBOVSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371466158 150052195 /nfs/dbraw/zinc/05/21/95/150052195.db2.gz LTSOZFDZDVQROH-YTQUADARSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371466158 150052197 /nfs/dbraw/zinc/05/21/97/150052197.db2.gz LTSOZFDZDVQROH-YTQUADARSA-N 2 1 318.461 2.769 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2c3ccccc3CC[C@@H]2[NH+](C)C)CC[N@H+]1C ZINC000371484240 150054438 /nfs/dbraw/zinc/05/44/38/150054438.db2.gz BKJPALUGXNECEZ-JZGRTCEGSA-N 2 1 301.478 2.676 20 0 DFADMP Cc1nn(C)c(C)c1C[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000371723986 150086583 /nfs/dbraw/zinc/08/65/83/150086583.db2.gz OMNIVFAGCGRWOS-PKOBYXMFSA-N 2 1 312.461 2.820 20 0 DFADMP Cc1nn(C)c(C)c1C[NH2+]C[C@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000371723985 150086852 /nfs/dbraw/zinc/08/68/52/150086852.db2.gz OMNIVFAGCGRWOS-MJGOQNOKSA-N 2 1 312.461 2.820 20 0 DFADMP CC[C@@H]1CCC[C@H](C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000371836341 150102741 /nfs/dbraw/zinc/10/27/41/150102741.db2.gz YNVUMHILKBXXGI-QYZOEREBSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000351580366 286159419 /nfs/dbraw/zinc/15/94/19/286159419.db2.gz LSAMKLAFUFHKDH-DLBZAZTESA-N 2 1 308.853 2.836 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)C1CC1 ZINC000351580366 286159420 /nfs/dbraw/zinc/15/94/20/286159420.db2.gz LSAMKLAFUFHKDH-DLBZAZTESA-N 2 1 308.853 2.836 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)C1(c2ccccc2)CCCC1 ZINC000351583681 286160134 /nfs/dbraw/zinc/16/01/34/286160134.db2.gz VESVIGCPJNGKHW-QFBILLFUSA-N 2 1 316.489 2.932 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)C1(c2ccccc2)CCCC1 ZINC000351583681 286160137 /nfs/dbraw/zinc/16/01/37/286160137.db2.gz VESVIGCPJNGKHW-QFBILLFUSA-N 2 1 316.489 2.932 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]C2CCN(c3cccc(OC)c3)CC2)C1 ZINC000371974994 150119653 /nfs/dbraw/zinc/11/96/53/150119653.db2.gz RYUWUWXBBCOLDB-MRXNPFEDSA-N 2 1 317.477 2.595 20 0 DFADMP C[C@@H](c1cnccn1)[N@@H+](C)C1CCN(Cc2ccncc2)CC1 ZINC000372035124 150127999 /nfs/dbraw/zinc/12/79/99/150127999.db2.gz BDIVYDMFQVHKBT-HNNXBMFYSA-N 2 1 311.433 2.529 20 0 DFADMP C[C@@H](c1cnccn1)N(C)C1CC[NH+](Cc2ccncc2)CC1 ZINC000372035124 150128004 /nfs/dbraw/zinc/12/80/04/150128004.db2.gz BDIVYDMFQVHKBT-HNNXBMFYSA-N 2 1 311.433 2.529 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000372180486 150146130 /nfs/dbraw/zinc/14/61/30/150146130.db2.gz JNPSZOZPRUQYOD-QFBILLFUSA-N 2 1 302.462 2.843 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@@](C)(O)c2ccccc2)CC1 ZINC000372180486 150146131 /nfs/dbraw/zinc/14/61/31/150146131.db2.gz JNPSZOZPRUQYOD-QFBILLFUSA-N 2 1 302.462 2.843 20 0 DFADMP CC[C@H](C[N@H+](CC)C[C@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000351609655 286168479 /nfs/dbraw/zinc/16/84/79/286168479.db2.gz LVPVLNWJWBYXMR-VQIMIIECSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@H](C[N@@H+](CC)C[C@H](O)C[NH+](C)C1CC1)c1ccccc1 ZINC000351609655 286168481 /nfs/dbraw/zinc/16/84/81/286168481.db2.gz LVPVLNWJWBYXMR-VQIMIIECSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@H](C[NH+](CC)C[C@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000351609655 286168482 /nfs/dbraw/zinc/16/84/82/286168482.db2.gz LVPVLNWJWBYXMR-VQIMIIECSA-N 2 1 304.478 2.957 20 0 DFADMP CC[C@H](C[NH+](CC)C[C@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000351609655 286168484 /nfs/dbraw/zinc/16/84/84/286168484.db2.gz LVPVLNWJWBYXMR-VQIMIIECSA-N 2 1 304.478 2.957 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+][C@@H]1Cc3[nH]c4ccccc4c3C1)CC2 ZINC000373020998 150216843 /nfs/dbraw/zinc/21/68/43/150216843.db2.gz DPTUQTFFENOCQL-KGLIPLIRSA-N 2 1 306.413 2.684 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000373114803 150233534 /nfs/dbraw/zinc/23/35/34/150233534.db2.gz DODTWMOJPNMLPG-AEFFLSMTSA-N 2 1 319.449 2.667 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCO[C@H]3CCCCO3)C2)c1 ZINC000373114803 150233538 /nfs/dbraw/zinc/23/35/38/150233538.db2.gz DODTWMOJPNMLPG-AEFFLSMTSA-N 2 1 319.449 2.667 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](c3nccn3C)C2)cc1F ZINC000373108011 150233588 /nfs/dbraw/zinc/23/35/88/150233588.db2.gz ZAMUOYYLLNKZRG-AWEZNQCLSA-N 2 1 303.381 2.947 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000373200460 150245551 /nfs/dbraw/zinc/24/55/51/150245551.db2.gz FWOVIDNYMHZRPJ-GOSISDBHSA-N 2 1 317.408 2.704 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@](O)(c2ccc(F)cc2)C1 ZINC000373200460 150245554 /nfs/dbraw/zinc/24/55/54/150245554.db2.gz FWOVIDNYMHZRPJ-GOSISDBHSA-N 2 1 317.408 2.704 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)c1 ZINC000373222835 150250923 /nfs/dbraw/zinc/25/09/23/150250923.db2.gz DTZHRWNJJCEQKC-ZAAXVRCTSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)c1 ZINC000373222835 150250927 /nfs/dbraw/zinc/25/09/27/150250927.db2.gz DTZHRWNJJCEQKC-ZAAXVRCTSA-N 2 1 323.440 2.782 20 0 DFADMP COCCSCCC[NH+]1CCC([N@@H+]2CCC[C@H]2C)CC1 ZINC000373234273 150251978 /nfs/dbraw/zinc/25/19/78/150251978.db2.gz VKOMVKDKGJCKMY-OAHLLOKOSA-N 2 1 300.512 2.705 20 0 DFADMP COCCSCCC[NH+]1CCC([N@H+]2CCC[C@H]2C)CC1 ZINC000373234273 150251980 /nfs/dbraw/zinc/25/19/80/150251980.db2.gz VKOMVKDKGJCKMY-OAHLLOKOSA-N 2 1 300.512 2.705 20 0 DFADMP COCCSCCC[NH+]1CCC([N@@H+]2CCC[C@@H]2C)CC1 ZINC000373234272 150252342 /nfs/dbraw/zinc/25/23/42/150252342.db2.gz VKOMVKDKGJCKMY-HNNXBMFYSA-N 2 1 300.512 2.705 20 0 DFADMP COCCSCCC[NH+]1CCC([N@H+]2CCC[C@@H]2C)CC1 ZINC000373234272 150252343 /nfs/dbraw/zinc/25/23/43/150252343.db2.gz VKOMVKDKGJCKMY-HNNXBMFYSA-N 2 1 300.512 2.705 20 0 DFADMP Cc1cncn1C1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373763210 150253303 /nfs/dbraw/zinc/25/33/03/150253303.db2.gz MOFSPLTZZYZHME-LZWOXQAQSA-N 2 1 318.465 2.616 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000373763210 150253311 /nfs/dbraw/zinc/25/33/11/150253311.db2.gz MOFSPLTZZYZHME-LZWOXQAQSA-N 2 1 318.465 2.616 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000373763207 150253906 /nfs/dbraw/zinc/25/39/06/150253906.db2.gz MOFSPLTZZYZHME-DZKIICNBSA-N 2 1 318.465 2.616 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@H+]1CCC[C@H](c2nnc[nH]2)C1 ZINC000373811887 150261250 /nfs/dbraw/zinc/26/12/50/150261250.db2.gz JFGOTZULIJJBEQ-INIZCTEOSA-N 2 1 322.416 2.678 20 0 DFADMP CCCCCNC(=O)C[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000374403097 150360578 /nfs/dbraw/zinc/36/05/78/150360578.db2.gz GYEHNPLZPRYYTQ-INIZCTEOSA-N 2 1 320.481 2.950 20 0 DFADMP Cc1nocc1C[NH+]1CCC(CC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000351732861 286205355 /nfs/dbraw/zinc/20/53/55/286205355.db2.gz UPXKJEZCLJYICK-GASCZTMLSA-N 2 1 321.465 2.694 20 0 DFADMP Cc1ncc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000351751253 286209773 /nfs/dbraw/zinc/20/97/73/286209773.db2.gz AHWVQIAWHCCTCB-UHFFFAOYSA-N 2 1 311.433 2.528 20 0 DFADMP CC(=O)CC[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000378302088 150785120 /nfs/dbraw/zinc/78/51/20/150785120.db2.gz TXEYLBOHYOPSMX-UHFFFAOYSA-N 2 1 300.446 2.954 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000351809177 286223698 /nfs/dbraw/zinc/22/36/98/286223698.db2.gz MIYBOLVCSIIMJW-GOSISDBHSA-N 2 1 323.525 2.974 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000351809178 286223710 /nfs/dbraw/zinc/22/37/10/286223710.db2.gz MIYBOLVCSIIMJW-SFHVURJKSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857457 286233175 /nfs/dbraw/zinc/23/31/75/286233175.db2.gz BMALPNVHIOQEDT-WCQYABFASA-N 2 1 320.824 2.602 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000351857458 286233345 /nfs/dbraw/zinc/23/33/45/286233345.db2.gz BMALPNVHIOQEDT-YPMHNXCESA-N 2 1 320.824 2.602 20 0 DFADMP CC[NH+](CC)CCC[C@@H](C)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000351886385 286237417 /nfs/dbraw/zinc/23/74/17/286237417.db2.gz JMTNQCWCLDRHRE-IAGOWNOFSA-N 2 1 311.514 2.878 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000496375137 300054075 /nfs/dbraw/zinc/05/40/75/300054075.db2.gz NGACPQVGXWHXND-HUUCEWRRSA-N 2 1 311.470 2.508 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352130394 286299737 /nfs/dbraw/zinc/29/97/37/286299737.db2.gz YYQSVNJKZZIMMI-ROUUACIJSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCC[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352137774 286301654 /nfs/dbraw/zinc/30/16/54/286301654.db2.gz QNBSGSVDKPRGAT-KBPBESRZSA-N 2 1 314.424 2.606 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCc1cccc(C[N@@H+](C)CC)c1 ZINC000352146415 286304247 /nfs/dbraw/zinc/30/42/47/286304247.db2.gz FIMCMFAWFFZJCW-SFHVURJKSA-N 2 1 319.493 2.921 20 0 DFADMP CC(C)[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352364544 286354236 /nfs/dbraw/zinc/35/42/36/286354236.db2.gz FPWGNBXUGBSCRA-ROUUACIJSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@@H](c1ccc(F)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000352364544 286354237 /nfs/dbraw/zinc/35/42/37/286354237.db2.gz FPWGNBXUGBSCRA-ROUUACIJSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352364544 286354238 /nfs/dbraw/zinc/35/42/38/286354238.db2.gz FPWGNBXUGBSCRA-ROUUACIJSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@@H](c1ccc(F)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352364544 286354239 /nfs/dbraw/zinc/35/42/39/286354239.db2.gz FPWGNBXUGBSCRA-ROUUACIJSA-N 2 1 308.441 2.910 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)cc1NC(C)=O ZINC000271841184 286355038 /nfs/dbraw/zinc/35/50/38/286355038.db2.gz GXIRUUJHYKTXCL-CYBMUJFWSA-N 2 1 317.433 2.566 20 0 DFADMP CC(C)OC1CC([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000428257438 296687802 /nfs/dbraw/zinc/68/78/02/296687802.db2.gz SSLZTUAVNJUPRO-UHFFFAOYSA-N 2 1 318.461 2.564 20 0 DFADMP [NH3+]CCC[N@H+](CC(=O)NC1CCCCCC1)CC1CCCC1 ZINC000352518571 286395624 /nfs/dbraw/zinc/39/56/24/286395624.db2.gz IOIJJZKOKSRLAB-UHFFFAOYSA-N 2 1 309.498 2.666 20 0 DFADMP C[C@@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352507844 286392317 /nfs/dbraw/zinc/39/23/17/286392317.db2.gz DJAUZMFGMYHTAK-CJNGLKHVSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccc(Cl)cc1 ZINC000352507844 286392320 /nfs/dbraw/zinc/39/23/20/286392320.db2.gz DJAUZMFGMYHTAK-CJNGLKHVSA-N 2 1 323.868 2.721 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2C[C@H]2Cc2ccccc2)s1 ZINC000352776619 286464462 /nfs/dbraw/zinc/46/44/62/286464462.db2.gz UAOCZRXXEBDUGP-GDBMZVCRSA-N 2 1 301.459 2.926 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@](C)(CO)C2CCCCC2)s1 ZINC000352778593 286465001 /nfs/dbraw/zinc/46/50/01/286465001.db2.gz VXUKVXKRSZEYCK-INIZCTEOSA-N 2 1 311.495 2.626 20 0 DFADMP C[NH+](C)CCc1ccc(NCc2ncc(C[NH+](C)C)s2)cc1 ZINC000352784574 286467149 /nfs/dbraw/zinc/46/71/49/286467149.db2.gz FEQDJZIQDKYAKV-UHFFFAOYSA-N 2 1 318.490 2.921 20 0 DFADMP COCCCC[N@H+]1CCC2(C1)CC[NH+](CCCCOC)CC2 ZINC000368764891 292320183 /nfs/dbraw/zinc/32/01/83/292320183.db2.gz KAHHCALCELRRGY-UHFFFAOYSA-N 2 1 312.498 2.628 20 0 DFADMP C[C@@H]([NH3+])C1CCN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC1 ZINC000428900781 296720611 /nfs/dbraw/zinc/72/06/11/296720611.db2.gz ZXDASVGGDIMFJQ-WBMJQRKESA-N 2 1 323.868 2.529 20 0 DFADMP Cn1ccnc1[C@@H](NCc1ccc(-n2ccnc2)cc1)C1CC1 ZINC000183324020 158015982 /nfs/dbraw/zinc/01/59/82/158015982.db2.gz IFQLUVWWXAMWED-KRWDZBQOSA-N 2 1 307.401 2.847 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCCO2 ZINC000246809300 158100909 /nfs/dbraw/zinc/10/09/09/158100909.db2.gz AMYDXYHIALEMNV-BPUTZDHNSA-N 2 1 304.434 2.981 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccco1 ZINC000246917257 158105826 /nfs/dbraw/zinc/10/58/26/158105826.db2.gz GDBNEYIVUFOLKX-YYIAUSFCSA-N 2 1 307.482 2.981 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ncccc3Cl)C2)[C@@H](C)C1 ZINC000246945488 158106385 /nfs/dbraw/zinc/10/63/85/158106385.db2.gz HDJSGZZQANSSOY-DZKIICNBSA-N 2 1 322.884 2.634 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000247060812 158116803 /nfs/dbraw/zinc/11/68/03/158116803.db2.gz VJIADLCTECSSBK-CRAIPNDOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000247060812 158116806 /nfs/dbraw/zinc/11/68/06/158116806.db2.gz VJIADLCTECSSBK-CRAIPNDOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000247060812 158116807 /nfs/dbraw/zinc/11/68/07/158116807.db2.gz VJIADLCTECSSBK-CRAIPNDOSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc(OC)c1 ZINC000247060812 158116808 /nfs/dbraw/zinc/11/68/08/158116808.db2.gz VJIADLCTECSSBK-CRAIPNDOSA-N 2 1 304.434 2.620 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000247403786 158133769 /nfs/dbraw/zinc/13/37/69/158133769.db2.gz RTLJLVAYGLXUPO-QUCCMNQESA-N 2 1 313.489 2.776 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccccc3F)CC[C@H]21 ZINC000247972027 158155293 /nfs/dbraw/zinc/15/52/93/158155293.db2.gz JRWMIQPWMJTTRD-WMLDXEAASA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3ccccc3F)CC[C@H]21 ZINC000247972027 158155294 /nfs/dbraw/zinc/15/52/94/158155294.db2.gz JRWMIQPWMJTTRD-WMLDXEAASA-N 2 1 319.424 2.570 20 0 DFADMP CC[N@@H+]1CCC[C@H]1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248048229 158158675 /nfs/dbraw/zinc/15/86/75/158158675.db2.gz VTZVEAVGPPRMNG-AEFFLSMTSA-N 2 1 319.493 2.762 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN[C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000248048229 158158678 /nfs/dbraw/zinc/15/86/78/158158678.db2.gz VTZVEAVGPPRMNG-AEFFLSMTSA-N 2 1 319.493 2.762 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000248179762 158164198 /nfs/dbraw/zinc/16/41/98/158164198.db2.gz WFFJSULRNCERRF-HOCLYGCPSA-N 2 1 324.440 2.722 20 0 DFADMP C[C@H](CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000248395301 158172056 /nfs/dbraw/zinc/17/20/56/158172056.db2.gz GGAVIIJAEMBEMR-WZGPROSRSA-N 2 1 302.462 2.505 20 0 DFADMP c1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248396487 158172315 /nfs/dbraw/zinc/17/23/15/158172315.db2.gz HCZLPAZYDSNBDM-XUVXKRRUSA-N 2 1 324.472 2.773 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCO[C@H]3CCCCO3)C2)[nH+]1 ZINC000248573152 158185468 /nfs/dbraw/zinc/18/54/68/158185468.db2.gz MQHBHJZMPLNYFS-WMZOPIPTSA-N 2 1 319.449 2.667 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCO[C@H]3CCCCO3)C2)[nH+]1 ZINC000248573152 158185471 /nfs/dbraw/zinc/18/54/71/158185471.db2.gz MQHBHJZMPLNYFS-WMZOPIPTSA-N 2 1 319.449 2.667 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248829424 158203082 /nfs/dbraw/zinc/20/30/82/158203082.db2.gz KYBJVUJHGOXVDX-BSWVEEBUSA-N 2 1 302.462 2.910 20 0 DFADMP CCC[N@@H+](C)CC(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354995806 158249411 /nfs/dbraw/zinc/24/94/11/158249411.db2.gz LCCSZYIYSVOUPJ-UHFFFAOYSA-N 2 1 303.450 2.605 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355209740 158298708 /nfs/dbraw/zinc/29/87/08/158298708.db2.gz KBASVWWREBKZFR-JENIJYKNSA-N 2 1 318.461 2.687 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000355209740 158298711 /nfs/dbraw/zinc/29/87/11/158298711.db2.gz KBASVWWREBKZFR-JENIJYKNSA-N 2 1 318.461 2.687 20 0 DFADMP CO[C@@]1(C)CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000355208738 158298881 /nfs/dbraw/zinc/29/88/81/158298881.db2.gz BWANLDIGQZIXFH-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000356641591 158304577 /nfs/dbraw/zinc/30/45/77/158304577.db2.gz ITAXFRNFZWZFER-ZWKOTPCHSA-N 2 1 323.525 2.831 20 0 DFADMP COc1ccccc1C[N@H+](CCOCC[NH3+])Cc1cccs1 ZINC000357021937 158349817 /nfs/dbraw/zinc/34/98/17/158349817.db2.gz ACPLCQKANJDUML-UHFFFAOYSA-N 2 1 320.458 2.734 20 0 DFADMP COc1ccccc1C[N@@H+](CCOCC[NH3+])Cc1cccs1 ZINC000357021937 158349819 /nfs/dbraw/zinc/34/98/19/158349819.db2.gz ACPLCQKANJDUML-UHFFFAOYSA-N 2 1 320.458 2.734 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC(C)C ZINC000357038968 158353929 /nfs/dbraw/zinc/35/39/29/158353929.db2.gz ANLOTPZDLAPVQQ-IRXDYDNUSA-N 2 1 318.461 2.771 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)cc1OCC(C)C ZINC000357038968 158353931 /nfs/dbraw/zinc/35/39/31/158353931.db2.gz ANLOTPZDLAPVQQ-IRXDYDNUSA-N 2 1 318.461 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357054488 158356799 /nfs/dbraw/zinc/35/67/99/158356799.db2.gz QDORGUILHSRQLK-RTBURBONSA-N 3 1 315.505 2.686 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000357054485 158357142 /nfs/dbraw/zinc/35/71/42/158357142.db2.gz QDORGUILHSRQLK-MOPGFXCFSA-N 3 1 315.505 2.686 20 0 DFADMP c1coc(-c2cc(C[NH+]3CCC([C@@H]4CC[NH2+]C4)CC3)no2)c1 ZINC000357078616 158360373 /nfs/dbraw/zinc/36/03/73/158360373.db2.gz LOZAVGDOSHGOSO-CQSZACIVSA-N 2 1 301.390 2.756 20 0 DFADMP CC(C)[N@@H+](CCOCC[NH3+])Cc1cccc(Br)c1 ZINC000357076461 158360649 /nfs/dbraw/zinc/36/06/49/158360649.db2.gz OUHVOBIACGDCKT-UHFFFAOYSA-N 2 1 315.255 2.635 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357079812 158361550 /nfs/dbraw/zinc/36/15/50/158361550.db2.gz LOFKLEOGAWWQRS-QWHCGFSZSA-N 2 1 314.351 2.626 20 0 DFADMP FC(F)(F)c1ccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)cc1 ZINC000357079812 158361555 /nfs/dbraw/zinc/36/15/55/158361555.db2.gz LOFKLEOGAWWQRS-QWHCGFSZSA-N 2 1 314.351 2.626 20 0 DFADMP CO[C@H](C)c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)cs1 ZINC000357084403 158362986 /nfs/dbraw/zinc/36/29/86/158362986.db2.gz QBWALKRFHIVYJK-OCCSQVGLSA-N 2 1 309.479 2.672 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000358281863 158366919 /nfs/dbraw/zinc/36/69/19/158366919.db2.gz DCLDKDSDRZATNO-NVXWUHKLSA-N 2 1 318.461 2.710 20 0 DFADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358509562 158383898 /nfs/dbraw/zinc/38/38/98/158383898.db2.gz QGHUVGBOSULLOM-LBPRGKRZSA-N 2 1 318.446 2.935 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000358670745 158397480 /nfs/dbraw/zinc/39/74/80/158397480.db2.gz WVOGERNTSWJGKM-LMMKCTJWSA-N 2 1 303.494 2.969 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+]Cc3cccc(O)c3)C2)nc(C)[nH+]1 ZINC000360096589 158436558 /nfs/dbraw/zinc/43/65/58/158436558.db2.gz RWOVUDGJTBPRLL-MRXNPFEDSA-N 2 1 312.417 2.558 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496492716 300070340 /nfs/dbraw/zinc/07/03/40/300070340.db2.gz BXTQHIQASCPXRR-DZGCQCFKSA-N 2 1 305.422 2.811 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000246386433 287006048 /nfs/dbraw/zinc/00/60/48/287006048.db2.gz JNARHDWAKCZWKI-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000181591063 287157889 /nfs/dbraw/zinc/15/78/89/287157889.db2.gz NILDMHVDBZYGHQ-JTDSTZFVSA-N 2 1 316.493 2.679 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)CC1 ZINC000181591063 287157890 /nfs/dbraw/zinc/15/78/90/287157890.db2.gz NILDMHVDBZYGHQ-JTDSTZFVSA-N 2 1 316.493 2.679 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCC2CC(OC(C)(C)C)C2)CC1 ZINC000432411481 296876762 /nfs/dbraw/zinc/87/67/62/296876762.db2.gz YQFMDRGIGBZBHG-UHFFFAOYSA-N 2 1 312.498 2.671 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC[N@@H+](CC2CCCCC2)CC1)[NH+](C)C ZINC000130947036 196125469 /nfs/dbraw/zinc/12/54/69/196125469.db2.gz SZARULFSLMMPBY-SFHVURJKSA-N 2 1 323.525 2.687 20 0 DFADMP CCOCCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000131531894 196177799 /nfs/dbraw/zinc/17/77/99/196177799.db2.gz RGEUJCAOEWQDJD-UHFFFAOYSA-N 2 1 308.441 2.849 20 0 DFADMP Fc1ccc(Br)cc1C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000132222924 196237098 /nfs/dbraw/zinc/23/70/98/196237098.db2.gz BHPWRDYGJYVXNK-JTQLQIEISA-N 2 1 301.203 2.677 20 0 DFADMP CC1CC[NH+](C2CCC(Nc3nc(N(C)C)cc[nH+]3)CC2)CC1 ZINC000132227010 196237426 /nfs/dbraw/zinc/23/74/26/196237426.db2.gz UXCIIEFKNKMRSH-UHFFFAOYSA-N 2 1 317.481 2.998 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cccc(F)c1 ZINC000133091187 196311142 /nfs/dbraw/zinc/31/11/42/196311142.db2.gz FEHNJTWVTSABNZ-HUUCEWRRSA-N 2 1 306.425 2.977 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@H]1CC[N@@H+](C)C[C@@H]1C)c1ccccc1 ZINC000134021718 196354043 /nfs/dbraw/zinc/35/40/43/196354043.db2.gz ZSASUATUWNNQSX-YTQUADARSA-N 2 1 303.494 2.999 20 0 DFADMP CCc1nn(C)c(Cl)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134186811 196369286 /nfs/dbraw/zinc/36/92/86/196369286.db2.gz IWDVOMMHKAVLHF-UHFFFAOYSA-N 2 1 324.900 2.944 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@@H]([NH+]2CCCCCC2)C1 ZINC000136385631 196535054 /nfs/dbraw/zinc/53/50/54/196535054.db2.gz WLIBVHPYUOYLOX-GOSISDBHSA-N 2 1 304.482 2.922 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(Cc2cnc3n2CCC3)C1 ZINC000667534386 543624540 /nfs/dbraw/zinc/62/45/40/543624540.db2.gz WEDVIUIBPGXCIJ-XHSDSOJGSA-N 2 1 302.466 2.667 20 0 DFADMP Cc1ncc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C ZINC000667561410 543630955 /nfs/dbraw/zinc/63/09/55/543630955.db2.gz WEYUEMASYSIUKH-DOTOQJQBSA-N 2 1 304.482 2.815 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)n1C ZINC000667561410 543630957 /nfs/dbraw/zinc/63/09/57/543630957.db2.gz WEYUEMASYSIUKH-DOTOQJQBSA-N 2 1 304.482 2.815 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)n1C ZINC000667561410 543630960 /nfs/dbraw/zinc/63/09/60/543630960.db2.gz WEYUEMASYSIUKH-DOTOQJQBSA-N 2 1 304.482 2.815 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667501306 543619422 /nfs/dbraw/zinc/61/94/22/543619422.db2.gz UFIAYHFWEJEKOI-UHFFFAOYSA-N 2 1 319.497 2.947 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cn(C3CCC3)nn2)CC1 ZINC000667501306 543619424 /nfs/dbraw/zinc/61/94/24/543619424.db2.gz UFIAYHFWEJEKOI-UHFFFAOYSA-N 2 1 319.497 2.947 20 0 DFADMP C[NH+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000667518344 543621396 /nfs/dbraw/zinc/62/13/96/543621396.db2.gz XTCVWSCAVSOIMZ-IEBWSBKVSA-N 2 1 318.461 2.628 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1F ZINC000667803848 543683566 /nfs/dbraw/zinc/68/35/66/543683566.db2.gz PHEGOUPOPWVYNW-MAUKXSAKSA-N 2 1 315.392 2.977 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccnn2-c2cc[nH+]cc2)C[C@H]1C ZINC000667664098 543654741 /nfs/dbraw/zinc/65/47/41/543654741.db2.gz CITXGEUWXOQMAR-NVXWUHKLSA-N 2 1 313.449 2.572 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H]([C@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667708601 543664689 /nfs/dbraw/zinc/66/46/89/543664689.db2.gz HLROZADKRRTDDK-HOTGVXAUSA-N 2 1 312.417 2.516 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CCOC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667708601 543664690 /nfs/dbraw/zinc/66/46/90/543664690.db2.gz HLROZADKRRTDDK-HOTGVXAUSA-N 2 1 312.417 2.516 20 0 DFADMP Brc1ccc2oc(C[NH+]3C[C@@H]4C[NH2+]C[C@H]4C3)cc2c1 ZINC000667712843 543665419 /nfs/dbraw/zinc/66/54/19/543665419.db2.gz QSFABOZYJRIREU-RYUDHWBXSA-N 2 1 321.218 2.847 20 0 DFADMP C[N@@H+](Cc1ccc(F)c(F)c1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000668016037 543724540 /nfs/dbraw/zinc/72/45/40/543724540.db2.gz RBZWEPHGTHYUQR-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP C[N@H+](Cc1ccc(F)c(F)c1F)C[C@H]1CCc2[nH+]ccn2C1 ZINC000668016037 543724541 /nfs/dbraw/zinc/72/45/41/543724541.db2.gz RBZWEPHGTHYUQR-LLVKDONJSA-N 2 1 309.335 2.995 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000668089958 543736138 /nfs/dbraw/zinc/73/61/38/543736138.db2.gz CHFGVIFFZDXZSV-QRQLOZEOSA-N 2 1 300.446 2.666 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C2)cc1 ZINC000668089956 543736547 /nfs/dbraw/zinc/73/65/47/543736547.db2.gz CHFGVIFFZDXZSV-NEWSRXKRSA-N 2 1 300.446 2.666 20 0 DFADMP c1cc(C[N@H+]2CC[C@H](c3cccnc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000668273143 543781552 /nfs/dbraw/zinc/78/15/52/543781552.db2.gz VAVWVAPGPPJPOO-INIZCTEOSA-N 2 1 305.385 2.652 20 0 DFADMP C[C@@H](O)C[C@H]1CCCCC[N@@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145813 543749500 /nfs/dbraw/zinc/74/95/00/543749500.db2.gz TYJDDKRYKXHTLA-NVXWUHKLSA-N 2 1 314.433 2.783 20 0 DFADMP C[C@@H](O)C[C@H]1CCCCC[N@H+]1Cc1ccnn1-c1cc[nH+]cc1 ZINC000668145813 543749504 /nfs/dbraw/zinc/74/95/04/543749504.db2.gz TYJDDKRYKXHTLA-NVXWUHKLSA-N 2 1 314.433 2.783 20 0 DFADMP C[C@@H](O)C1([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000668701972 543848422 /nfs/dbraw/zinc/84/84/22/543848422.db2.gz ULEGMDLPXDFDQC-WBVHZDCISA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H](O)C1([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000668701972 543848424 /nfs/dbraw/zinc/84/84/24/543848424.db2.gz ULEGMDLPXDFDQC-WBVHZDCISA-N 2 1 300.446 2.687 20 0 DFADMP CC(C)[C@@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738465 543857383 /nfs/dbraw/zinc/85/73/83/543857383.db2.gz DHUJVBNKFCQVNE-VQTJNVASSA-N 2 1 316.489 2.957 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccnc3ccccc23)CCO1 ZINC000668784497 543866890 /nfs/dbraw/zinc/86/68/90/543866890.db2.gz DODIHZMPYLWTLX-QGZVFWFLSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccnc3ccccc23)CCO1 ZINC000668784497 543866891 /nfs/dbraw/zinc/86/68/91/543866891.db2.gz DODIHZMPYLWTLX-QGZVFWFLSA-N 2 1 313.445 2.777 20 0 DFADMP CCOc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000668786768 543867484 /nfs/dbraw/zinc/86/74/84/543867484.db2.gz HQJQTIWGYACSLO-IBGZPJMESA-N 2 1 320.477 2.936 20 0 DFADMP CCOc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c(C)c1 ZINC000668786768 543867485 /nfs/dbraw/zinc/86/74/85/543867485.db2.gz HQJQTIWGYACSLO-IBGZPJMESA-N 2 1 320.477 2.936 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2cccc3cc[nH]c32)CCO1 ZINC000668785741 543867815 /nfs/dbraw/zinc/86/78/15/543867815.db2.gz WIVZDQXXNUKFDO-QGZVFWFLSA-N 2 1 301.434 2.711 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000296584682 226019154 /nfs/dbraw/zinc/01/91/54/226019154.db2.gz UOKJCCUGRRIVMH-WZRBSPASSA-N 2 1 301.356 2.919 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccnc(C(F)(F)F)c1 ZINC000296584682 226019159 /nfs/dbraw/zinc/01/91/59/226019159.db2.gz UOKJCCUGRRIVMH-WZRBSPASSA-N 2 1 301.356 2.919 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@H](C)[NH3+])[C@@H]2CCCC[C@H]12 ZINC000442664203 297199638 /nfs/dbraw/zinc/19/96/38/297199638.db2.gz LSTWOYKMMMBGOR-OVYBAWALSA-N 2 1 309.498 2.518 20 0 DFADMP Cc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(-c2cnn(C)c2)c1 ZINC000669992860 544013970 /nfs/dbraw/zinc/01/39/70/544013970.db2.gz OBGNHDZTURRARJ-KRWDZBQOSA-N 2 1 321.428 2.697 20 0 DFADMP C([C@@H]1CCCO1)[NH+]1CCC([NH2+][C@@H]2CCCC23CCOCC3)CC1 ZINC000669699839 543985534 /nfs/dbraw/zinc/98/55/34/543985534.db2.gz FKTVNEGTDYUTFV-ZWKOTPCHSA-N 2 1 322.493 2.569 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCC34CCC4)C2)nc(C)[nH+]1 ZINC000669702200 543986378 /nfs/dbraw/zinc/98/63/78/543986378.db2.gz CCNXETDYBNPFIQ-JKSUJKDBSA-N 2 1 300.450 2.985 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(OC)c2F)C1 ZINC000669709081 543986867 /nfs/dbraw/zinc/98/68/67/543986867.db2.gz VCWHCBAZCGYUNK-MRXNPFEDSA-N 2 1 324.440 2.767 20 0 DFADMP CC(C)C(C[N@H+]1CCCN(Cc2nccn2C)CC1)C(C)C ZINC000671305699 544066161 /nfs/dbraw/zinc/06/61/61/544066161.db2.gz NOGGJGCJMSYOJH-UHFFFAOYSA-N 2 1 306.498 2.856 20 0 DFADMP COC(C)(C)[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000671109051 544056153 /nfs/dbraw/zinc/05/61/53/544056153.db2.gz UWXNYZZAGJTGEY-WMZOPIPTSA-N 2 1 304.478 2.954 20 0 DFADMP FC(F)[C@@H]1CC[N@@H+](CCCN2CCN(c3ccccc3)CC2)C1 ZINC000671685499 544097515 /nfs/dbraw/zinc/09/75/15/544097515.db2.gz HAJOPMVPNIMKMF-MRXNPFEDSA-N 2 1 323.431 2.786 20 0 DFADMP CC(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccnn1C ZINC000671762060 544107809 /nfs/dbraw/zinc/10/78/09/544107809.db2.gz VMARWWBQSYWFPM-YYIAUSFCSA-N 2 1 304.482 2.622 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1ccc(Cl)cc1 ZINC000672619020 544143863 /nfs/dbraw/zinc/14/38/63/544143863.db2.gz HYJFQXGLFMEZMG-UAGQMJEPSA-N 2 1 308.853 2.632 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000672868867 544158051 /nfs/dbraw/zinc/15/80/51/544158051.db2.gz VJRPFBIHPRXQLM-DLBZAZTESA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000672868867 544158052 /nfs/dbraw/zinc/15/80/52/544158052.db2.gz VJRPFBIHPRXQLM-DLBZAZTESA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000672987681 544163449 /nfs/dbraw/zinc/16/34/49/544163449.db2.gz GZUIGWWYIRJQPV-SQNIBIBYSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000672987681 544163451 /nfs/dbraw/zinc/16/34/51/544163451.db2.gz GZUIGWWYIRJQPV-SQNIBIBYSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCCC[C@H]2CN1C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000672987681 544163453 /nfs/dbraw/zinc/16/34/53/544163453.db2.gz GZUIGWWYIRJQPV-SQNIBIBYSA-N 2 1 321.509 2.726 20 0 DFADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cn(C)cn3)cc2)CC1 ZINC000673599170 544186186 /nfs/dbraw/zinc/18/61/86/544186186.db2.gz DPRKRLQUUYUOTQ-UHFFFAOYSA-N 2 1 312.461 2.942 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCc2c(O)cccc21 ZINC000291226195 222238363 /nfs/dbraw/zinc/23/83/63/222238363.db2.gz NVFLBYODCJMKMV-MAUKXSAKSA-N 2 1 318.461 2.596 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCc2ccc(O)cc21 ZINC000291279780 222281598 /nfs/dbraw/zinc/28/15/98/222281598.db2.gz RBXQLILWJZSCBD-APWZRJJASA-N 2 1 318.461 2.596 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291288924 222287415 /nfs/dbraw/zinc/28/74/15/222287415.db2.gz ZLKLPDVBRPPRNU-QFBILLFUSA-N 2 1 302.462 2.851 20 0 DFADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000674062405 544216665 /nfs/dbraw/zinc/21/66/65/544216665.db2.gz QIAADRFFGCCHMW-HNNXBMFYSA-N 2 1 315.392 2.675 20 0 DFADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674094528 544219961 /nfs/dbraw/zinc/21/99/61/544219961.db2.gz OXMCEDLOPLXDJU-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP CCC[C@H]1CCC[N@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000675131065 544285946 /nfs/dbraw/zinc/28/59/46/544285946.db2.gz GFAGEDJLFUPUIX-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H]1CCC[N@@H+](C[C@H](O)C[NH+](C)Cc2ccccc2)C1 ZINC000675131065 544285948 /nfs/dbraw/zinc/28/59/48/544285948.db2.gz GFAGEDJLFUPUIX-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H]1CCC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000675131065 544285949 /nfs/dbraw/zinc/28/59/49/544285949.db2.gz GFAGEDJLFUPUIX-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP CCC[C@H]1CCC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000675131065 544285951 /nfs/dbraw/zinc/28/59/51/544285951.db2.gz GFAGEDJLFUPUIX-PKOBYXMFSA-N 2 1 304.478 2.991 20 0 DFADMP c1cn2c([nH+]1)CC[C@H]([NH2+]Cc1cnc(-c3ccccn3)s1)C2 ZINC000674676140 544250571 /nfs/dbraw/zinc/25/05/71/544250571.db2.gz MCDGKMASEMJENC-LBPRGKRZSA-N 2 1 311.414 2.506 20 0 DFADMP c1n[nH]cc1CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566246 227311415 /nfs/dbraw/zinc/31/14/15/227311415.db2.gz CMYSXGOYHFODBJ-PMACEKPBSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000297566246 227311419 /nfs/dbraw/zinc/31/14/19/227311419.db2.gz CMYSXGOYHFODBJ-PMACEKPBSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000297566246 227311422 /nfs/dbraw/zinc/31/14/22/227311422.db2.gz CMYSXGOYHFODBJ-PMACEKPBSA-N 2 1 324.472 2.939 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000297566246 227311423 /nfs/dbraw/zinc/31/14/23/227311423.db2.gz CMYSXGOYHFODBJ-PMACEKPBSA-N 2 1 324.472 2.939 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(OC)cccc32)[C@@H](C)C1 ZINC000675908710 544343389 /nfs/dbraw/zinc/34/33/89/544343389.db2.gz XFGBLVZLZNAWJN-BPUTZDHNSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3c(OC)cccc32)[C@@H](C)C1 ZINC000675908710 544343390 /nfs/dbraw/zinc/34/33/90/544343390.db2.gz XFGBLVZLZNAWJN-BPUTZDHNSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(OC)cccc32)[C@H](C)C1 ZINC000675908713 544343599 /nfs/dbraw/zinc/34/35/99/544343599.db2.gz XFGBLVZLZNAWJN-VNQPRFMTSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3c(OC)cccc32)[C@H](C)C1 ZINC000675908713 544343601 /nfs/dbraw/zinc/34/36/01/544343601.db2.gz XFGBLVZLZNAWJN-VNQPRFMTSA-N 2 1 304.434 2.839 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000677040268 544424612 /nfs/dbraw/zinc/42/46/12/544424612.db2.gz GFUCVXUXROYUJO-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH+]1CCC[C@@H](C2CC2)C1 ZINC000677040268 544424618 /nfs/dbraw/zinc/42/46/18/544424618.db2.gz GFUCVXUXROYUJO-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000677040268 544424620 /nfs/dbraw/zinc/42/46/20/544424620.db2.gz GFUCVXUXROYUJO-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP C[NH+](Cc1ccccc1)C[C@@H](O)C[N@H+]1CCC[C@@H](C2CC2)C1 ZINC000677040268 544424623 /nfs/dbraw/zinc/42/46/23/544424623.db2.gz GFUCVXUXROYUJO-RTBURBONSA-N 2 1 302.462 2.601 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](CC)[C@@H](C)C2)cc1 ZINC000677173452 544446790 /nfs/dbraw/zinc/44/67/90/544446790.db2.gz HTJGUIFJZRELKU-INIZCTEOSA-N 2 1 317.477 2.695 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CN(Cc2ccccc2)C(C)(C)C1 ZINC000677749855 544535926 /nfs/dbraw/zinc/53/59/26/544535926.db2.gz VFUPTBKIHMGZEF-GOSISDBHSA-N 2 1 312.461 2.834 20 0 DFADMP COc1nc2ccccc2cc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000677879745 544556794 /nfs/dbraw/zinc/55/67/94/544556794.db2.gz VUQDANZTPUGGFL-HNNXBMFYSA-N 2 1 308.385 2.545 20 0 DFADMP COc1ccc(C2([NH2+]CC[C@@H]3CCC[N@H+]3C)CCOCC2)cc1 ZINC000678078742 544595805 /nfs/dbraw/zinc/59/58/05/544595805.db2.gz ATYWBCJEODVESI-KRWDZBQOSA-N 2 1 318.461 2.775 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@H]3CCCC(C)(C)C3)CC2)C1 ZINC000678259012 544634657 /nfs/dbraw/zinc/63/46/57/544634657.db2.gz VRCNWWVKPMDVIC-ROUUACIJSA-N 2 1 307.526 2.915 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCO[C@H]3CCCC[C@H]32)cc1 ZINC000678182647 544616544 /nfs/dbraw/zinc/61/65/44/544616544.db2.gz ZXFHMWXUQVLZJH-MOPGFXCFSA-N 2 1 318.461 2.770 20 0 DFADMP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)CC(C)(C)O ZINC000678238613 544627947 /nfs/dbraw/zinc/62/79/47/544627947.db2.gz AZMYTWOGLLEMTF-UHFFFAOYSA-N 2 1 308.466 2.610 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2nn(C)c3ccccc23)C[C@H]1C ZINC000678276581 544640739 /nfs/dbraw/zinc/64/07/39/544640739.db2.gz JSTGGTLUUXCGNQ-CABCVRRESA-N 2 1 300.450 2.878 20 0 DFADMP c1ccc2c(c1)OCC[C@@H]2C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000678277060 544641569 /nfs/dbraw/zinc/64/15/69/544641569.db2.gz PVBHLNMVGMQROD-DLBZAZTESA-N 2 1 300.446 2.970 20 0 DFADMP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCN(C3CCCCC3)C2=O)CC1 ZINC000678600936 544700001 /nfs/dbraw/zinc/70/00/01/544700001.db2.gz PPMHKHKUPGAVSJ-QGZVFWFLSA-N 2 1 321.509 2.773 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1nc2c(s1)CCCC2 ZINC000678954797 544756267 /nfs/dbraw/zinc/75/62/67/544756267.db2.gz RQSNJULRTLDMJW-LBPRGKRZSA-N 2 1 304.463 2.953 20 0 DFADMP CCc1nc2ccccc2n1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000679024734 544769718 /nfs/dbraw/zinc/76/97/18/544769718.db2.gz JHBRDHSETVJWNO-HOTGVXAUSA-N 2 1 312.461 2.815 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3cncs3)C2)nc(C)[nH+]1 ZINC000679035849 544772734 /nfs/dbraw/zinc/77/27/34/544772734.db2.gz QYYVBUVQNKHHNK-GXTWGEPZSA-N 2 1 317.462 2.870 20 0 DFADMP CCC[C@@H]([NH2+]C1CC[NH+](CCO)CC1)c1ccc(OC)cc1 ZINC000679038755 544773395 /nfs/dbraw/zinc/77/33/95/544773395.db2.gz QEZDMFRUQKIGQW-GOSISDBHSA-N 2 1 306.450 2.583 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCc3ccc(Cl)cc32)CC1 ZINC000679038749 544773693 /nfs/dbraw/zinc/77/36/93/544773693.db2.gz QCUYZNSFHUJNMT-QGZVFWFLSA-N 2 1 308.853 2.764 20 0 DFADMP Cc1ccc(N[C@@H]2CC[N@@H+](C)[C@@H](C)C2)c(OCC[NH+](C)C)c1 ZINC000679148943 544792359 /nfs/dbraw/zinc/79/23/59/544792359.db2.gz WGFGIRUZRNKDSP-JKSUJKDBSA-N 2 1 305.466 2.830 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H]2CC=C(c3ccc(F)cc3)CC2)CC1 ZINC000679393872 544847642 /nfs/dbraw/zinc/84/76/42/544847642.db2.gz RNNDDZLWGSWEDT-SFHVURJKSA-N 2 1 318.436 2.808 20 0 DFADMP CC(C)(O)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000679721597 544905666 /nfs/dbraw/zinc/90/56/66/544905666.db2.gz PFUUYVPDIUGFAX-FGTMMUONSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H](C[NH2+]C1CCN(c2nccs2)CC1)[NH+]1CCCC1 ZINC000679730653 544907172 /nfs/dbraw/zinc/90/71/72/544907172.db2.gz VPHKXAGARCUTKE-OAHLLOKOSA-N 2 1 308.495 2.576 20 0 DFADMP C[C@@H]1CC[C@]2(CC[N@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC000679834201 544914869 /nfs/dbraw/zinc/91/48/69/544914869.db2.gz WGAJMXMRIRMSPH-RLLQIKCJSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@]2(CC[N@@H+](C[C@H](O)C[NH+](C)Cc3ccccc3)C2)C1 ZINC000679834201 544914870 /nfs/dbraw/zinc/91/48/70/544914870.db2.gz WGAJMXMRIRMSPH-RLLQIKCJSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@]2(CC[NH+](C[C@H](O)C[N@H+](C)Cc3ccccc3)C2)C1 ZINC000679834201 544914872 /nfs/dbraw/zinc/91/48/72/544914872.db2.gz WGAJMXMRIRMSPH-RLLQIKCJSA-N 2 1 316.489 2.991 20 0 DFADMP C[C@@H]1CC[C@]2(CC[NH+](C[C@H](O)C[N@@H+](C)Cc3ccccc3)C2)C1 ZINC000679834201 544914875 /nfs/dbraw/zinc/91/48/75/544914875.db2.gz WGAJMXMRIRMSPH-RLLQIKCJSA-N 2 1 316.489 2.991 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000680327816 544991203 /nfs/dbraw/zinc/99/12/03/544991203.db2.gz WVEJZMPQEDSVGN-HNNXBMFYSA-N 2 1 322.416 2.678 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000680144380 544963637 /nfs/dbraw/zinc/96/36/37/544963637.db2.gz CBERCIHJTMLGAG-XUVXKRRUSA-N 2 1 322.456 2.785 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000680144380 544963640 /nfs/dbraw/zinc/96/36/40/544963640.db2.gz CBERCIHJTMLGAG-XUVXKRRUSA-N 2 1 322.456 2.785 20 0 DFADMP c1n[nH]cc1C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000680146655 544964094 /nfs/dbraw/zinc/96/40/94/544964094.db2.gz ZWIYIHGCOIZXKA-IPMKNSEASA-N 2 1 310.445 2.800 20 0 DFADMP Cn1cc[nH+]c1N1CC[NH+](Cc2cc3ccccc3s2)CC1 ZINC000680376062 545000946 /nfs/dbraw/zinc/00/09/46/545000946.db2.gz HQWMQVYRYWMWKG-UHFFFAOYSA-N 2 1 312.442 2.957 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@H](c1ccco1)[NH+](C)C)[NH+]1CCCCC1 ZINC000067284934 425909470 /nfs/dbraw/zinc/90/94/70/425909470.db2.gz VDOUMPRYCKHTDM-WBVHZDCISA-N 2 1 321.465 2.509 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC000124506567 425922900 /nfs/dbraw/zinc/92/29/00/425922900.db2.gz FZLPWGBALSGCAU-HXUWFJFHSA-N 2 1 315.505 2.927 20 0 DFADMP CC(C)[N@H+](C)CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155733619 425925386 /nfs/dbraw/zinc/92/53/86/425925386.db2.gz DFYTTYQQJPTNEF-MRXNPFEDSA-N 2 1 307.482 2.618 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000155733619 425925388 /nfs/dbraw/zinc/92/53/88/425925388.db2.gz DFYTTYQQJPTNEF-MRXNPFEDSA-N 2 1 307.482 2.618 20 0 DFADMP CCCC(=O)N(C)[C@H]1CCCC[C@@H]1[N@@H+](C)C1CCN(C)CC1 ZINC000124614399 425928821 /nfs/dbraw/zinc/92/88/21/425928821.db2.gz UEHGMPGRGJIOEY-IRXDYDNUSA-N 2 1 309.498 2.582 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000191518172 268003015 /nfs/dbraw/zinc/00/30/15/268003015.db2.gz RFBRHSYRBMLZOI-UHFFFAOYSA-N 2 1 320.481 2.606 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCC(=O)NC1CCCC1 ZINC000191518172 268003018 /nfs/dbraw/zinc/00/30/18/268003018.db2.gz RFBRHSYRBMLZOI-UHFFFAOYSA-N 2 1 320.481 2.606 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCC(=O)NC1CCCC1 ZINC000191518172 268003019 /nfs/dbraw/zinc/00/30/19/268003019.db2.gz RFBRHSYRBMLZOI-UHFFFAOYSA-N 2 1 320.481 2.606 20 0 DFADMP C[C@H](CC[NH2+][C@H](C)c1ccnn1C)[N@H+](C)Cc1ccccc1 ZINC000192924239 268054175 /nfs/dbraw/zinc/05/41/75/268054175.db2.gz WVBDMVTVLQZIPZ-HZPDHXFCSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@H](CC[NH2+][C@H](C)c1ccnn1C)[N@@H+](C)Cc1ccccc1 ZINC000192924239 268054178 /nfs/dbraw/zinc/05/41/78/268054178.db2.gz WVBDMVTVLQZIPZ-HZPDHXFCSA-N 2 1 300.450 2.981 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000193276966 268063387 /nfs/dbraw/zinc/06/33/87/268063387.db2.gz JXCKOOCDAKLUFI-JLYLLQBASA-N 2 1 310.445 2.896 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000193276966 268063389 /nfs/dbraw/zinc/06/33/89/268063389.db2.gz JXCKOOCDAKLUFI-JLYLLQBASA-N 2 1 310.445 2.896 20 0 DFADMP Cc1cc(Br)ccc1CN1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000193645402 268075106 /nfs/dbraw/zinc/07/51/06/268075106.db2.gz GKGUZRJOUWYDET-OKILXGFUSA-N 2 1 309.251 2.751 20 0 DFADMP CSc1ccccc1[C@@H](C)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000194862745 268119431 /nfs/dbraw/zinc/11/94/31/268119431.db2.gz AGSLLCKEVZWZAJ-CQSZACIVSA-N 2 1 308.491 2.906 20 0 DFADMP C[NH+](C)[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)c1ccccc1 ZINC000195306707 268131658 /nfs/dbraw/zinc/13/16/58/268131658.db2.gz SNBIQJZYZIZUQQ-KRWDZBQOSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC[N@@H+]1C ZINC000231720787 268147680 /nfs/dbraw/zinc/14/76/80/268147680.db2.gz JRODXNCWKOBUKK-TUVASFSCSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2NC(=O)OC(C)(C)C)CC[N@H+]1C ZINC000231720787 268147682 /nfs/dbraw/zinc/14/76/82/268147682.db2.gz JRODXNCWKOBUKK-TUVASFSCSA-N 2 1 311.470 2.505 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000269005362 268187708 /nfs/dbraw/zinc/18/77/08/268187708.db2.gz QHISOQYXATWSED-ZMMAXQRCSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269005362 268187710 /nfs/dbraw/zinc/18/77/10/268187710.db2.gz QHISOQYXATWSED-ZMMAXQRCSA-N 2 1 304.478 2.894 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1C[C@H](O)C[C@@H]1c1cc(F)ccc1F ZINC000270992253 268245723 /nfs/dbraw/zinc/24/57/23/268245723.db2.gz IKXMRFRDRKWFRP-CKEIUWERSA-N 2 1 310.388 2.557 20 0 DFADMP C=Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000278945918 268267919 /nfs/dbraw/zinc/26/79/19/268267919.db2.gz YLIZWZRJVNZOIV-QFBILLFUSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000278945918 268267920 /nfs/dbraw/zinc/26/79/20/268267920.db2.gz YLIZWZRJVNZOIV-QFBILLFUSA-N 2 1 310.445 2.984 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+](C2CC2)C1 ZINC000298083742 268312902 /nfs/dbraw/zinc/31/29/02/268312902.db2.gz MEIYIVKJVPAAQU-FXAWDEMLSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+](C2CC2)C1 ZINC000298083742 268312903 /nfs/dbraw/zinc/31/29/03/268312903.db2.gz MEIYIVKJVPAAQU-FXAWDEMLSA-N 2 1 313.489 2.677 20 0 DFADMP C[C@@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+](C2CC2)C1 ZINC000298083742 268312905 /nfs/dbraw/zinc/31/29/05/268312905.db2.gz MEIYIVKJVPAAQU-FXAWDEMLSA-N 2 1 313.489 2.677 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000309678621 268336142 /nfs/dbraw/zinc/33/61/42/268336142.db2.gz YDRFGFCAZQXWAK-LSDHHAIUSA-N 2 1 322.453 2.617 20 0 DFADMP CC1(C)COC[C@@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000313058462 268338353 /nfs/dbraw/zinc/33/83/53/268338353.db2.gz KXXVVLCLDUMLAD-SFHVURJKSA-N 2 1 302.462 2.708 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC(F)F ZINC000319587385 268346697 /nfs/dbraw/zinc/34/66/97/268346697.db2.gz WCCWENOHXHLSNH-BDJLRTHQSA-N 2 1 314.376 2.713 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000320715155 268348003 /nfs/dbraw/zinc/34/80/03/268348003.db2.gz QDTCEYFCRNFCPE-OKILXGFUSA-N 2 1 321.852 2.518 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)o1 ZINC000322593439 268349523 /nfs/dbraw/zinc/34/95/23/268349523.db2.gz KLABUXJRMBNGEZ-GOOCMWNKSA-N 2 1 300.406 2.693 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)o1 ZINC000322593439 268349525 /nfs/dbraw/zinc/34/95/25/268349525.db2.gz KLABUXJRMBNGEZ-GOOCMWNKSA-N 2 1 300.406 2.693 20 0 DFADMP c1ccc(CN2CCC[N@H+](CC[C@H]3CCC[NH2+]C3)CC2)cc1 ZINC000323833267 268349865 /nfs/dbraw/zinc/34/98/65/268349865.db2.gz RCYLSUDDYXMISW-GOSISDBHSA-N 2 1 301.478 2.584 20 0 DFADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](CCC3CCCCCC3)C2)nn1 ZINC000333118500 268375483 /nfs/dbraw/zinc/37/54/83/268375483.db2.gz HSWOJYOVFBCKRB-QGZVFWFLSA-N 2 1 305.470 2.734 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@H](c3noc(C4CC4)n3)C2)CC[NH2+]1 ZINC000333187870 268380905 /nfs/dbraw/zinc/38/09/05/268380905.db2.gz UECNHGZSKCIIBF-IPYPFGDCSA-N 2 1 304.438 2.515 20 0 DFADMP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148910 425983445 /nfs/dbraw/zinc/98/34/45/425983445.db2.gz OEZLEVRGEIUAGX-LBPRGKRZSA-N 2 1 316.276 2.891 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000125946321 425997428 /nfs/dbraw/zinc/99/74/28/425997428.db2.gz RVXMVMHKRROBLR-ROUUACIJSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@@H]1CC[C@H](C)C[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000158756710 425947271 /nfs/dbraw/zinc/94/72/71/425947271.db2.gz RTAYCSFJPGMDCC-JZXOWHBKSA-N 2 1 317.477 2.526 20 0 DFADMP COc1ccccc1OCC[N@H+](C)CCCn1cc[nH+]c1C ZINC000124971376 425947821 /nfs/dbraw/zinc/94/78/21/425947821.db2.gz OZBKAXVBYPFIKE-UHFFFAOYSA-N 2 1 303.406 2.601 20 0 DFADMP COc1ccccc1OCC[N@@H+](C)CCCn1cc[nH+]c1C ZINC000124971376 425947824 /nfs/dbraw/zinc/94/78/24/425947824.db2.gz OZBKAXVBYPFIKE-UHFFFAOYSA-N 2 1 303.406 2.601 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000158917028 425949515 /nfs/dbraw/zinc/94/95/15/425949515.db2.gz MWXLBNRUGWIOSI-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP CCN(CC)C(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158945267 425951271 /nfs/dbraw/zinc/95/12/71/425951271.db2.gz YGVNVDSAUXVCAG-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1cc2c(s1)CCC2 ZINC000158934751 425951442 /nfs/dbraw/zinc/95/14/42/425951442.db2.gz FKFBNNMKBATKOL-GOEBONIOSA-N 2 1 322.518 2.980 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)c1ccc(F)cc1 ZINC000158975936 425951560 /nfs/dbraw/zinc/95/15/60/425951560.db2.gz POFFPQKQUWZYJX-MSOLQXFVSA-N 2 1 308.441 2.959 20 0 DFADMP CCN(CC)C(=O)C1([NH2+]CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC000125214866 425959176 /nfs/dbraw/zinc/95/91/76/425959176.db2.gz VVWPUXLMBZOACC-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000105480569 425967960 /nfs/dbraw/zinc/96/79/60/425967960.db2.gz SPHSRWHSGYYYHG-SKDRFNHKSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cc(Br)cs1 ZINC000105480569 425967964 /nfs/dbraw/zinc/96/79/64/425967964.db2.gz SPHSRWHSGYYYHG-SKDRFNHKSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000070174488 425969224 /nfs/dbraw/zinc/96/92/24/425969224.db2.gz YRIHCGOCFSUHCK-OLZOCXBDSA-N 2 1 309.841 2.728 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000125459168 425972599 /nfs/dbraw/zinc/97/25/99/425972599.db2.gz DLDHXZYYHYJTBZ-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000125459168 425972602 /nfs/dbraw/zinc/97/26/02/425972602.db2.gz DLDHXZYYHYJTBZ-OAHLLOKOSA-N 2 1 322.453 2.571 20 0 DFADMP Cc1csc(N2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n1 ZINC000125467869 425974220 /nfs/dbraw/zinc/97/42/20/425974220.db2.gz WTWSAHXRBWLMER-UHFFFAOYSA-N 2 1 319.478 2.559 20 0 DFADMP COc1ccc([C@@H](CO)[N@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000125516419 425976498 /nfs/dbraw/zinc/97/64/98/425976498.db2.gz DLYXYZUDOFSHAO-GOSISDBHSA-N 2 1 317.433 2.646 20 0 DFADMP COc1ccc([C@@H](CO)[N@@H+](C)CCCCn2cc[nH+]c2C)cc1 ZINC000125516419 425976501 /nfs/dbraw/zinc/97/65/01/425976501.db2.gz DLYXYZUDOFSHAO-GOSISDBHSA-N 2 1 317.433 2.646 20 0 DFADMP CCc1cc(N2CC[C@@H]([NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000125575235 425979938 /nfs/dbraw/zinc/97/99/38/425979938.db2.gz UMKLKKPEEXBAGA-MRXNPFEDSA-N 2 1 311.429 2.708 20 0 DFADMP Fc1cc(CN[C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1-n1ccnc1 ZINC000126654350 426029693 /nfs/dbraw/zinc/02/96/93/426029693.db2.gz BDDIECKROPYMTG-JKSUJKDBSA-N 3 1 314.408 2.728 20 0 DFADMP Fc1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)ccc1-n1ccnc1 ZINC000126654350 426029695 /nfs/dbraw/zinc/02/96/95/426029695.db2.gz BDDIECKROPYMTG-JKSUJKDBSA-N 3 1 314.408 2.728 20 0 DFADMP Fc1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)ccc1-n1ccnc1 ZINC000126654350 426029699 /nfs/dbraw/zinc/02/96/99/426029699.db2.gz BDDIECKROPYMTG-JKSUJKDBSA-N 2 1 314.408 2.728 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000161588280 426030421 /nfs/dbraw/zinc/03/04/21/426030421.db2.gz WOKQWIWDFMMSKY-MORSLUCNSA-N 2 1 301.434 2.922 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000161588280 426030424 /nfs/dbraw/zinc/03/04/24/426030424.db2.gz WOKQWIWDFMMSKY-MORSLUCNSA-N 2 1 301.434 2.922 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000161597173 426030858 /nfs/dbraw/zinc/03/08/58/426030858.db2.gz GUKZXMNAOKSLIG-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000161597173 426030862 /nfs/dbraw/zinc/03/08/62/426030862.db2.gz GUKZXMNAOKSLIG-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000161597173 426030864 /nfs/dbraw/zinc/03/08/64/426030864.db2.gz GUKZXMNAOKSLIG-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000161597173 426030866 /nfs/dbraw/zinc/03/08/66/426030866.db2.gz GUKZXMNAOKSLIG-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000161597173 426030868 /nfs/dbraw/zinc/03/08/68/426030868.db2.gz GUKZXMNAOKSLIG-HSALFYBXSA-N 2 1 313.489 2.867 20 0 DFADMP CC[C@H](C)[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000126655168 426031397 /nfs/dbraw/zinc/03/13/97/426031397.db2.gz FVRGPQHLKHCLSC-IRXDYDNUSA-N 2 1 303.494 2.958 20 0 DFADMP CC(C)C[NH2+]Cc1cccc(OCC[N@@H+](C)C2CCOCC2)c1 ZINC000161631608 426033247 /nfs/dbraw/zinc/03/32/47/426033247.db2.gz ZLWHLRVCNVDSMA-UHFFFAOYSA-N 2 1 320.477 2.922 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cccc(C[NH2+]Cc3cccn3C)c2)CCO1 ZINC000161784755 426038360 /nfs/dbraw/zinc/03/83/60/426038360.db2.gz SCYCYQMKEQACCX-MRXNPFEDSA-N 2 1 313.445 2.536 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(C[NH2+]Cc3cccn3C)c2)CCO1 ZINC000161784755 426038364 /nfs/dbraw/zinc/03/83/64/426038364.db2.gz SCYCYQMKEQACCX-MRXNPFEDSA-N 2 1 313.445 2.536 20 0 DFADMP CC1(C)CC([NH2+]Cc2cc3ccccc3[nH]c2=O)CC(C)(C)[NH2+]1 ZINC000074336055 426046255 /nfs/dbraw/zinc/04/62/55/426046255.db2.gz NYMXUCDYTMLCLY-UHFFFAOYSA-N 2 1 313.445 2.927 20 0 DFADMP COCC[N@H+](C)CC[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000127036464 426048710 /nfs/dbraw/zinc/04/87/10/426048710.db2.gz JXUDQWSFQRXNEM-LJQANCHMSA-N 2 1 318.461 2.632 20 0 DFADMP COCC[N@@H+](C)CC[C@@H]([NH2+]CC1=CCCOC1)c1ccccc1 ZINC000127036464 426048713 /nfs/dbraw/zinc/04/87/13/426048713.db2.gz JXUDQWSFQRXNEM-LJQANCHMSA-N 2 1 318.461 2.632 20 0 DFADMP CCOc1cc(C[N@H+](C)CCC[NH2+]C)ccc1OC(F)F ZINC000127140017 426052789 /nfs/dbraw/zinc/05/27/89/426052789.db2.gz ZLUFTRVAAKKPTM-UHFFFAOYSA-N 2 1 302.365 2.728 20 0 DFADMP CCOc1cc(C[N@@H+](C)CCC[NH2+]C)ccc1OC(F)F ZINC000127140017 426052791 /nfs/dbraw/zinc/05/27/91/426052791.db2.gz ZLUFTRVAAKKPTM-UHFFFAOYSA-N 2 1 302.365 2.728 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162422235 426063825 /nfs/dbraw/zinc/06/38/25/426063825.db2.gz NXORGPDJGPSGKZ-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162409106 426063998 /nfs/dbraw/zinc/06/39/98/426063998.db2.gz LQNVYJKWTDSGRN-SJLPKXTDSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H](C)C1 ZINC000162409106 426064000 /nfs/dbraw/zinc/06/40/00/426064000.db2.gz LQNVYJKWTDSGRN-SJLPKXTDSA-N 2 1 316.493 2.892 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000163083556 426088223 /nfs/dbraw/zinc/08/82/23/426088223.db2.gz XGHMIFDBAYICBZ-KXBFYZLASA-N 2 1 312.461 2.729 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000163083556 426088227 /nfs/dbraw/zinc/08/82/27/426088227.db2.gz XGHMIFDBAYICBZ-KXBFYZLASA-N 2 1 312.461 2.729 20 0 DFADMP COC(=O)[C@H](c1ccccc1C)N(C)CCCn1cc[nH+]c1C ZINC000163200158 426092669 /nfs/dbraw/zinc/09/26/69/426092669.db2.gz ORTKDZZBWSZQRZ-KRWDZBQOSA-N 2 1 315.417 2.736 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)C1 ZINC000163241530 426093084 /nfs/dbraw/zinc/09/30/84/426093084.db2.gz NTSFWCVSBZYTRF-HOTGVXAUSA-N 2 1 306.450 2.704 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2F)C1 ZINC000076001751 426093164 /nfs/dbraw/zinc/09/31/64/426093164.db2.gz VVLBLZQIXGCRGG-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000127971073 426095706 /nfs/dbraw/zinc/09/57/06/426095706.db2.gz VIYSMWFFIOBIBP-ZWKOTPCHSA-N 2 1 317.477 2.623 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1C ZINC000113222285 426107210 /nfs/dbraw/zinc/10/72/10/426107210.db2.gz VFOJMGDSNIQSSY-IRXDYDNUSA-N 2 1 309.498 2.584 20 0 DFADMP Cc1cc(C)cc([C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000128237035 426107493 /nfs/dbraw/zinc/10/74/93/426107493.db2.gz TZIPEARWXZIEHI-GOSISDBHSA-N 2 1 303.494 2.982 20 0 DFADMP Cc1ccc(CC[C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128241163 426109209 /nfs/dbraw/zinc/10/92/09/426109209.db2.gz AUWDJYZNUBUHPE-IBGZPJMESA-N 2 1 317.521 2.933 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000164085870 426112231 /nfs/dbraw/zinc/11/22/31/426112231.db2.gz LMXKUZRDNXYYES-HZSPNIEDSA-N 2 1 313.486 2.608 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000113512809 426117123 /nfs/dbraw/zinc/11/71/23/426117123.db2.gz PHWATMJWROUUTE-CYBMUJFWSA-N 2 1 316.367 2.968 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000113512809 426117127 /nfs/dbraw/zinc/11/71/27/426117127.db2.gz PHWATMJWROUUTE-CYBMUJFWSA-N 2 1 316.367 2.968 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165298800 426121842 /nfs/dbraw/zinc/12/18/42/426121842.db2.gz NADBBPJWJOTMEA-YTQUADARSA-N 2 1 302.462 2.566 20 0 DFADMP CCC[N@H+](C[C@@H](O)CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128866298 426136587 /nfs/dbraw/zinc/13/65/87/426136587.db2.gz UTRHMMTVHGVTFT-KRWDZBQOSA-N 2 1 320.481 2.545 20 0 DFADMP CCC[N@@H+](C[C@@H](O)CC)C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000128866298 426136589 /nfs/dbraw/zinc/13/65/89/426136589.db2.gz UTRHMMTVHGVTFT-KRWDZBQOSA-N 2 1 320.481 2.545 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+](C)C2CCCCCC2)CC1 ZINC000114454128 426136616 /nfs/dbraw/zinc/13/66/16/426136616.db2.gz CXZDXCLQDLQQHM-UHFFFAOYSA-N 2 1 309.498 2.630 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2cncc(Br)c2)CC1 ZINC000162921734 426082292 /nfs/dbraw/zinc/08/22/92/426082292.db2.gz SOVGORBYLPIPQH-UHFFFAOYSA-N 2 1 312.255 2.666 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000075835537 426086130 /nfs/dbraw/zinc/08/61/30/426086130.db2.gz BKZXZOHWWANQGB-QGZVFWFLSA-N 2 1 310.482 2.918 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H](C)c3ccccc3)C2)CC1 ZINC000116993829 426203840 /nfs/dbraw/zinc/20/38/40/426203840.db2.gz ODEPZAKIJKWOGH-IEBWSBKVSA-N 2 1 301.478 2.502 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[N@H+](C)C[C@@H]2C)CC[NH+]1Cc1ccccc1 ZINC000129609417 426139610 /nfs/dbraw/zinc/13/96/10/426139610.db2.gz LKWZEJBIGSLATK-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)CC[N@@H+]1Cc1ccccc1 ZINC000129609417 426139613 /nfs/dbraw/zinc/13/96/13/426139613.db2.gz LKWZEJBIGSLATK-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](C)C[C@@H]2C)CC[N@H+]1Cc1ccccc1 ZINC000129609417 426139616 /nfs/dbraw/zinc/13/96/16/426139616.db2.gz LKWZEJBIGSLATK-KVPLUYHFSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)N(C)c2ccccc2)C1 ZINC000135108597 426205347 /nfs/dbraw/zinc/20/53/47/426205347.db2.gz RMLQKCLCVXPYBP-QGZVFWFLSA-N 2 1 317.477 2.703 20 0 DFADMP CC[NH+](CC)Cc1ccc(CNC(=O)C[N@@H+](CC)C2CC2)cc1 ZINC000130446331 426160429 /nfs/dbraw/zinc/16/04/29/426160429.db2.gz FZZCFASDHLPMKE-UHFFFAOYSA-N 2 1 317.477 2.629 20 0 DFADMP CC[C@@]1(C(=O)NCc2ccccc2C[N@@H+](C)C(C)C)CCC[NH2+]1 ZINC000134564171 426186990 /nfs/dbraw/zinc/18/69/90/426186990.db2.gz DRQPIJGEBPFVDR-IBGZPJMESA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CCN(Cc2ccc3c(c2)OCCO3)CC1 ZINC000134766257 426194608 /nfs/dbraw/zinc/19/46/08/426194608.db2.gz HOZVHVLGYOANIG-OAHLLOKOSA-N 2 1 316.445 2.907 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2cccc(Cl)c2F)CC1 ZINC000136060443 426234138 /nfs/dbraw/zinc/23/41/38/426234138.db2.gz UQSMATCPGQATJT-UHFFFAOYSA-N 2 1 300.805 2.809 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042259 426274158 /nfs/dbraw/zinc/27/41/58/426274158.db2.gz AFPGZNNXZCTOLM-VYDXJSESSA-N 2 1 302.466 2.500 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(N2CCCC2)nc1 ZINC000151042259 426274159 /nfs/dbraw/zinc/27/41/59/426274159.db2.gz AFPGZNNXZCTOLM-VYDXJSESSA-N 2 1 302.466 2.500 20 0 DFADMP CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1cccc(Cl)c1 ZINC000173384055 426239192 /nfs/dbraw/zinc/23/91/92/426239192.db2.gz LOZFXCJIOWOCSE-MRXNPFEDSA-N 2 1 323.868 2.545 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000136300235 426239256 /nfs/dbraw/zinc/23/92/56/426239256.db2.gz YXWRJZMYTHIIHF-UHFFFAOYSA-N 2 1 301.390 2.500 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000136300235 426239258 /nfs/dbraw/zinc/23/92/58/426239258.db2.gz YXWRJZMYTHIIHF-UHFFFAOYSA-N 2 1 301.390 2.500 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](CCCOCCc2ccccc2)C1 ZINC000173884973 426250118 /nfs/dbraw/zinc/25/01/18/426250118.db2.gz IBABWYOGDYRFCO-LJQANCHMSA-N 2 1 304.478 2.909 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C1 ZINC000173884973 426250121 /nfs/dbraw/zinc/25/01/21/426250121.db2.gz IBABWYOGDYRFCO-LJQANCHMSA-N 2 1 304.478 2.909 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](CCCOCCc2ccccc2)C1 ZINC000173884973 426250125 /nfs/dbraw/zinc/25/01/25/426250125.db2.gz IBABWYOGDYRFCO-LJQANCHMSA-N 2 1 304.478 2.909 20 0 DFADMP Cc1ccc([C@@H](C[NH2+][C@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)N(C)C)cc1 ZINC000118965585 426252447 /nfs/dbraw/zinc/25/24/47/426252447.db2.gz YRAGCCDGMCXHQU-PBWTXFEYSA-N 2 1 303.494 2.916 20 0 DFADMP COCc1ccc(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000174315728 426253983 /nfs/dbraw/zinc/25/39/83/426253983.db2.gz AXJOONMCWKPEKM-CALCHBBNSA-N 2 1 320.477 2.812 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000089427793 426289988 /nfs/dbraw/zinc/28/99/88/426289988.db2.gz NNBLYIIAISSFLI-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C1CCN(c2nccs2)CC1 ZINC000089555844 426296905 /nfs/dbraw/zinc/29/69/05/426296905.db2.gz LHUKIJMNSHGCLH-ZDUSSCGKSA-N 2 1 319.478 2.543 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000119949843 426304665 /nfs/dbraw/zinc/30/46/65/426304665.db2.gz HBCBHWSXUYLXAI-UHFFFAOYSA-N 2 1 320.481 2.633 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCCC1)c1ccc(S(C)(=O)=O)cc1 ZINC000120419274 426311187 /nfs/dbraw/zinc/31/11/87/426311187.db2.gz HFHQRZZQYMOGHG-HNNXBMFYSA-N 2 1 324.490 2.617 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000120599540 426312777 /nfs/dbraw/zinc/31/27/77/426312777.db2.gz XXTAFRHODJOUDF-BRWVUGGUSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CC[C@@H]2CCOC2=O)C1 ZINC000120599540 426312785 /nfs/dbraw/zinc/31/27/85/426312785.db2.gz XXTAFRHODJOUDF-BRWVUGGUSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120599540 426312788 /nfs/dbraw/zinc/31/27/88/426312788.db2.gz XXTAFRHODJOUDF-BRWVUGGUSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CC[C@@H]2CCOC2=O)C1 ZINC000120599540 426312791 /nfs/dbraw/zinc/31/27/91/426312791.db2.gz XXTAFRHODJOUDF-BRWVUGGUSA-N 2 1 308.466 2.526 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(C)=O)[C@H](C)C1 ZINC000175724984 426323541 /nfs/dbraw/zinc/32/35/41/426323541.db2.gz YFUNPDKCKHOCAW-QAPCUYQASA-N 2 1 318.461 2.930 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2ccccc2C(C)=O)[C@H](C)C1 ZINC000175724984 426323546 /nfs/dbraw/zinc/32/35/46/426323546.db2.gz YFUNPDKCKHOCAW-QAPCUYQASA-N 2 1 318.461 2.930 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2ccccc2C(C)=O)[C@H](C)C1 ZINC000175724984 426323549 /nfs/dbraw/zinc/32/35/49/426323549.db2.gz YFUNPDKCKHOCAW-QAPCUYQASA-N 2 1 318.461 2.930 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2ccccc2C(C)=O)[C@H](C)C1 ZINC000175724984 426323553 /nfs/dbraw/zinc/32/35/53/426323553.db2.gz YFUNPDKCKHOCAW-QAPCUYQASA-N 2 1 318.461 2.930 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000121206920 426324929 /nfs/dbraw/zinc/32/49/29/426324929.db2.gz APPYQIAGPPNYQY-IBGZPJMESA-N 3 1 315.505 2.625 20 0 DFADMP CCNC(=O)CN(CC)CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000119324116 426278482 /nfs/dbraw/zinc/27/84/82/426278482.db2.gz BZVIORKRBQCHNH-UHFFFAOYSA-N 2 1 319.493 2.603 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129693 426280353 /nfs/dbraw/zinc/28/03/53/426280353.db2.gz SAIJACLOQKRIPG-CXAGYDPISA-N 2 1 322.424 2.774 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129693 426280355 /nfs/dbraw/zinc/28/03/55/426280355.db2.gz SAIJACLOQKRIPG-CXAGYDPISA-N 2 1 322.424 2.774 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129693 426280359 /nfs/dbraw/zinc/28/03/59/426280359.db2.gz SAIJACLOQKRIPG-CXAGYDPISA-N 2 1 322.424 2.774 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(C(=O)OC)c(F)c2)[C@H](C)C1 ZINC000089129693 426280360 /nfs/dbraw/zinc/28/03/60/426280360.db2.gz SAIJACLOQKRIPG-CXAGYDPISA-N 2 1 322.424 2.774 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)s2)[C@H](C)C1 ZINC000119379882 426284080 /nfs/dbraw/zinc/28/40/80/426284080.db2.gz INVJPKYOLNVPOE-TZMCWYRMSA-N 2 1 310.463 2.697 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1cccc(OC)c1 ZINC000151263153 426287089 /nfs/dbraw/zinc/28/70/89/426287089.db2.gz ZSPJDSBJZSOVFJ-WMZOPIPTSA-N 2 1 306.450 2.583 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCC2 ZINC000151272204 426287294 /nfs/dbraw/zinc/28/72/94/426287294.db2.gz SJLDSKHQFOSTCG-KXBFYZLASA-N 2 1 302.462 2.673 20 0 DFADMP CC[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000122800938 426394920 /nfs/dbraw/zinc/39/49/20/426394920.db2.gz ZKWDDOAEHLNQMO-OALUTQOASA-N 2 1 302.462 2.840 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@H]1CCOC1 ZINC000122800938 426394923 /nfs/dbraw/zinc/39/49/23/426394923.db2.gz ZKWDDOAEHLNQMO-OALUTQOASA-N 2 1 302.462 2.840 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122853189 426398176 /nfs/dbraw/zinc/39/81/76/426398176.db2.gz DIIFGXNBRYFXFC-CQSZACIVSA-N 2 1 316.445 2.953 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(F)cc2)C1 ZINC000152784858 426353986 /nfs/dbraw/zinc/35/39/86/426353986.db2.gz XXQGVPXXOMALPM-OAFZBRQQSA-N 2 1 319.468 2.970 20 0 DFADMP Cc1c(CNC[C@@]2(C)CCC[N@@H+]2Cc2ccccc2)cnn1C ZINC000121794256 426354365 /nfs/dbraw/zinc/35/43/65/426354365.db2.gz AHCWBVBNAUFMGA-LJQANCHMSA-N 2 1 312.461 2.873 20 0 DFADMP C[NH+]1CCC(NC[C@]2(C)CCC[N@H+]2Cc2ccccc2)CC1 ZINC000152955350 426362788 /nfs/dbraw/zinc/36/27/88/426362788.db2.gz SFBAHKRBLRTTQZ-IBGZPJMESA-N 2 1 301.478 2.725 20 0 DFADMP C[C@H]1C[C@@H](NCc2ccnc(OC3CCCC3)c2)CC[N@H+]1C ZINC000153333952 426380400 /nfs/dbraw/zinc/38/04/00/426380400.db2.gz IOYCAXGECWTCIQ-HOCLYGCPSA-N 2 1 303.450 2.975 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)c1ccc(NC(N)=O)cc1 ZINC000123049620 426411575 /nfs/dbraw/zinc/41/15/75/426411575.db2.gz KTWNSCDYSKBKOB-LMOYCYGVSA-N 2 1 304.438 2.557 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)CCC1 ZINC000340361087 268971376 /nfs/dbraw/zinc/97/13/76/268971376.db2.gz ZSMKGUFYQJCMIJ-QZTJIDSGSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@H]1C[C@H](N(C)CCc2nc(-c3ccccc3)no2)CC[N@H+]1C ZINC000123410192 426432287 /nfs/dbraw/zinc/43/22/87/426432287.db2.gz WMHDSRUEEYKFTH-GOEBONIOSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CCc2nc(-c3ccccc3)no2)CCN1C ZINC000123410192 426432291 /nfs/dbraw/zinc/43/22/91/426432291.db2.gz WMHDSRUEEYKFTH-GOEBONIOSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CCc2nc(-c3ccccc3)no2)CCN1C ZINC000123410192 426432294 /nfs/dbraw/zinc/43/22/94/426432294.db2.gz WMHDSRUEEYKFTH-GOEBONIOSA-N 2 1 314.433 2.694 20 0 DFADMP Cc1ccc(C)c(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000123464897 426435623 /nfs/dbraw/zinc/43/56/23/426435623.db2.gz RURBGSOABVRXGZ-CVEARBPZSA-N 2 1 303.450 2.656 20 0 DFADMP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154323556 426435817 /nfs/dbraw/zinc/43/58/17/426435817.db2.gz VPVXRZQMEWUFLG-SWLSCSKDSA-N 2 1 318.383 2.539 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)c2ccccc2F)CC1 ZINC000154447125 426440270 /nfs/dbraw/zinc/44/02/70/426440270.db2.gz VIGDEKRJGJRRBM-MRXNPFEDSA-N 2 1 307.457 2.894 20 0 DFADMP C[C@@H](O)C[N@@H+](Cc1ccc(-n2ccnc2)nc1)C1CCCCC1 ZINC000177103975 426443649 /nfs/dbraw/zinc/44/36/49/426443649.db2.gz MBMMOSOTPJCJOF-OAHLLOKOSA-N 2 1 314.433 2.783 20 0 DFADMP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340976046 269031630 /nfs/dbraw/zinc/03/16/30/269031630.db2.gz JMNUEDGWKTYEOX-DOTOQJQBSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[N@@H+](C)CC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340976046 269031632 /nfs/dbraw/zinc/03/16/32/269031632.db2.gz JMNUEDGWKTYEOX-DOTOQJQBSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340976046 269031634 /nfs/dbraw/zinc/03/16/34/269031634.db2.gz JMNUEDGWKTYEOX-DOTOQJQBSA-N 2 1 323.868 2.543 20 0 DFADMP CCC[NH+](C)CC(=O)N[C@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000340976046 269031635 /nfs/dbraw/zinc/03/16/35/269031635.db2.gz JMNUEDGWKTYEOX-DOTOQJQBSA-N 2 1 323.868 2.543 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]CCn2cc[nH+]c2C)cc1OC ZINC000341427655 269076194 /nfs/dbraw/zinc/07/61/94/269076194.db2.gz CGMIWLUOJHYQSA-CYBMUJFWSA-N 2 1 303.406 2.950 20 0 DFADMP C[NH+](C)C1(CNC2CC[NH+](Cc3ccccn3)CC2)CCCC1 ZINC000341441359 269077442 /nfs/dbraw/zinc/07/74/42/269077442.db2.gz NCUHRDBKKIGQRO-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP C[N@@H+](CCOCc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000154637565 426449728 /nfs/dbraw/zinc/44/97/28/426449728.db2.gz GGTAFYNQKXVGFJ-UHFFFAOYSA-N 2 1 322.412 2.916 20 0 DFADMP CN(CCOCc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000154637565 426449731 /nfs/dbraw/zinc/44/97/31/426449731.db2.gz GGTAFYNQKXVGFJ-UHFFFAOYSA-N 2 1 322.412 2.916 20 0 DFADMP C[N@@H+](CCOc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177229432 426456550 /nfs/dbraw/zinc/45/65/50/426456550.db2.gz BBJNIIFXSGKDBR-UHFFFAOYSA-N 2 1 308.385 2.778 20 0 DFADMP CN(CCOc1ccccc1)Cc1ccc(-n2ccnc2)nc1 ZINC000177229432 426456552 /nfs/dbraw/zinc/45/65/52/426456552.db2.gz BBJNIIFXSGKDBR-UHFFFAOYSA-N 2 1 308.385 2.778 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177242518 426459447 /nfs/dbraw/zinc/45/94/47/426459447.db2.gz IOPMYRPJLCSWPU-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000177383510 426474210 /nfs/dbraw/zinc/47/42/10/426474210.db2.gz TXKPYXDNRRQCNU-UHFFFAOYSA-N 2 1 309.885 2.798 20 0 DFADMP CCc1ccc(C[NH+]2CCN(CC[C@@H]3CCC[N@H+]3C)CC2)s1 ZINC000124251373 426477028 /nfs/dbraw/zinc/47/70/28/426477028.db2.gz VERFZZKXYLIDCD-INIZCTEOSA-N 2 1 321.534 2.912 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3ccccc32)CC1 ZINC000098143631 426480271 /nfs/dbraw/zinc/48/02/71/426480271.db2.gz SOWAZCYLBWFTHP-MJGOQNOKSA-N 2 1 302.462 2.746 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000124377822 426482449 /nfs/dbraw/zinc/48/24/49/426482449.db2.gz XGPWJWRIEFMLSM-ZIAGYGMSSA-N 2 1 302.418 2.593 20 0 DFADMP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124396150 426483150 /nfs/dbraw/zinc/48/31/50/426483150.db2.gz INGKVZHSGNOSNI-UZLBHIALSA-N 2 1 315.505 2.783 20 0 DFADMP C[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101658283 426486005 /nfs/dbraw/zinc/48/60/05/426486005.db2.gz BPZZEQAHCIYSDO-XHSDSOJGSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@@H](C(=O)NCC[N@@H+](C)C1CCCCC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000101658283 426486006 /nfs/dbraw/zinc/48/60/06/426486006.db2.gz BPZZEQAHCIYSDO-XHSDSOJGSA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)C[NH+]1CCC(NC(=O)[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000195324241 426514992 /nfs/dbraw/zinc/51/49/92/426514992.db2.gz QNQOGPNRIRVLKH-GOSISDBHSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H](NCCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272395607 426516122 /nfs/dbraw/zinc/51/61/22/426516122.db2.gz DGPPHVKTBMFAJU-QUCCMNQESA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272395607 426516126 /nfs/dbraw/zinc/51/61/26/426516126.db2.gz DGPPHVKTBMFAJU-QUCCMNQESA-N 3 1 315.505 2.973 20 0 DFADMP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272395607 426516130 /nfs/dbraw/zinc/51/61/30/426516130.db2.gz DGPPHVKTBMFAJU-QUCCMNQESA-N 3 1 315.505 2.973 20 0 DFADMP Brc1cccc(C[N@H+]2CCC[C@H](c3ncc[nH]3)C2)n1 ZINC000272453466 426529247 /nfs/dbraw/zinc/52/92/47/426529247.db2.gz WSVDQQFAANHXOI-NSHDSACASA-N 2 1 321.222 2.947 20 0 DFADMP Brc1cccc(CN2CCC[C@H](c3[nH]cc[nH+]3)C2)n1 ZINC000272453466 426529251 /nfs/dbraw/zinc/52/92/51/426529251.db2.gz WSVDQQFAANHXOI-NSHDSACASA-N 2 1 321.222 2.947 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCc4ccccn4)C[C@H]3C2)cc1 ZINC000280260475 426533005 /nfs/dbraw/zinc/53/30/05/426533005.db2.gz CIHFIGJWAPBQFZ-KDURUIRLSA-N 2 1 307.441 2.688 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](CCc4ccccn4)C[C@H]3C2)cc1 ZINC000280260475 426533009 /nfs/dbraw/zinc/53/30/09/426533009.db2.gz CIHFIGJWAPBQFZ-KDURUIRLSA-N 2 1 307.441 2.688 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[NH+](CCc4ccccn4)C[C@H]3C2)cc1 ZINC000280260475 426533012 /nfs/dbraw/zinc/53/30/12/426533012.db2.gz CIHFIGJWAPBQFZ-KDURUIRLSA-N 2 1 307.441 2.688 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000272469879 426534577 /nfs/dbraw/zinc/53/45/77/426534577.db2.gz LEFKWKRFIOTKDN-HKUYNNGSSA-N 2 1 312.461 2.692 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000186516764 426543023 /nfs/dbraw/zinc/54/30/23/426543023.db2.gz FCBBGDRWSBJOPO-LSTKMXGYSA-N 2 1 320.452 2.749 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cccc2c1OCCCO2 ZINC000264382593 426545477 /nfs/dbraw/zinc/54/54/77/426545477.db2.gz OYYRGEPDOJMWKF-AWEZNQCLSA-N 2 1 315.417 2.779 20 0 DFADMP COc1ccnc(CN2CCC[N@@H+](Cc3ccccc3)CC2)c1 ZINC000264387258 426546320 /nfs/dbraw/zinc/54/63/20/426546320.db2.gz FDHAMNXGGRZGPS-UHFFFAOYSA-N 2 1 311.429 2.798 20 0 DFADMP C[C@@H]1C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1C ZINC000177968750 426547621 /nfs/dbraw/zinc/54/76/21/426547621.db2.gz UUUNHBTVGJRMKJ-XLIONFOSSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272537089 426550732 /nfs/dbraw/zinc/55/07/32/426550732.db2.gz RKEXHCJGBHPZPY-HKUYNNGSSA-N 3 1 303.494 2.828 20 0 DFADMP C[C@H]([NH2+]CCCC[NH+](C)C)[C@H]1CCN(Cc2ccccc2)C1 ZINC000272537089 426550735 /nfs/dbraw/zinc/55/07/35/426550735.db2.gz RKEXHCJGBHPZPY-HKUYNNGSSA-N 2 1 303.494 2.828 20 0 DFADMP CCSc1cccc(C[N@@H+](CCO)C2CCN(C)CC2)c1 ZINC000186151193 426489356 /nfs/dbraw/zinc/48/93/56/426489356.db2.gz DTFBCLGHAYACGG-UHFFFAOYSA-N 2 1 308.491 2.687 20 0 DFADMP Cc1cc(C[NH+]2CCC(CC[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)no1 ZINC000177497755 426489588 /nfs/dbraw/zinc/48/95/88/426489588.db2.gz YJDGXRTTZKZRST-HZPDHXFCSA-N 2 1 321.465 2.694 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000194868732 426493859 /nfs/dbraw/zinc/49/38/59/426493859.db2.gz CWBCOBUVIOULPK-GOSISDBHSA-N 2 1 321.465 2.883 20 0 DFADMP CCOC(=O)[C@]1(C(C)C)CC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000194868732 426493861 /nfs/dbraw/zinc/49/38/61/426493861.db2.gz CWBCOBUVIOULPK-GOSISDBHSA-N 2 1 321.465 2.883 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)C[C@@H]2CC[N@@H+](C)C2)cc1 ZINC000264148282 426504224 /nfs/dbraw/zinc/50/42/24/426504224.db2.gz HCAVADWFUGVZIE-QGZVFWFLSA-N 2 1 317.477 2.552 20 0 DFADMP C[C@H]([NH2+]CCCn1cccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272652360 426572801 /nfs/dbraw/zinc/57/28/01/426572801.db2.gz KQOVIQXQDHSIMV-HKUYNNGSSA-N 2 1 312.461 2.773 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)cc1)C(C)C ZINC000186674437 426574633 /nfs/dbraw/zinc/57/46/33/426574633.db2.gz JMGJGUQYLCQUPW-YJBOKZPZSA-N 2 1 317.477 2.645 20 0 DFADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272849761 426574904 /nfs/dbraw/zinc/57/49/04/426574904.db2.gz SLWQBEQDMUAMFP-IRMTXWDGSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@H](CC[S@](C)=O)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272849761 426574906 /nfs/dbraw/zinc/57/49/06/426574906.db2.gz SLWQBEQDMUAMFP-IRMTXWDGSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](CC2CC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000178256140 426594806 /nfs/dbraw/zinc/59/48/06/426594806.db2.gz NJZAHRNGLFGICT-RCDICMHDSA-N 2 1 320.502 2.949 20 0 DFADMP COCC[NH+]1CCC([NH2+]CC2(CCOC)CCCCC2)CC1 ZINC000186884569 426603264 /nfs/dbraw/zinc/60/32/64/426603264.db2.gz ZVEBUERXOJEGKA-UHFFFAOYSA-N 2 1 312.498 2.674 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000186878310 426603319 /nfs/dbraw/zinc/60/33/19/426603319.db2.gz WXGHQJMIFOEYKC-AHRSYUTCSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186878310 426603331 /nfs/dbraw/zinc/60/33/31/426603331.db2.gz WXGHQJMIFOEYKC-AHRSYUTCSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186878310 426603335 /nfs/dbraw/zinc/60/33/35/426603335.db2.gz WXGHQJMIFOEYKC-AHRSYUTCSA-N 2 1 315.505 2.969 20 0 DFADMP COC(=O)C(C)(C)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000289226247 426608306 /nfs/dbraw/zinc/60/83/06/426608306.db2.gz JSQLWNAXTKHKBM-WBVHZDCISA-N 2 1 318.461 2.686 20 0 DFADMP OC1(Cc2cccc(F)c2)CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000186922384 426609874 /nfs/dbraw/zinc/60/98/74/426609874.db2.gz PEFNJOCKZGSWHW-UHFFFAOYSA-N 2 1 320.452 2.681 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273198747 426613925 /nfs/dbraw/zinc/61/39/25/426613925.db2.gz IIAOWAKCNOFEGH-DOTOQJQBSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@@H]([NH2+]CCOCC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272562914 426558225 /nfs/dbraw/zinc/55/82/25/426558225.db2.gz UOUSNFBQMNJWLE-VQIMIIECSA-N 2 1 302.462 2.913 20 0 DFADMP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000289486887 426669308 /nfs/dbraw/zinc/66/93/08/426669308.db2.gz YOHSEAMOXSNWAF-ZTFGCOKTSA-N 2 1 323.431 2.784 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)c3cccnc3)CC2)nc(C)[nH+]1 ZINC000178694786 426677057 /nfs/dbraw/zinc/67/70/57/426677057.db2.gz LNBHAIZPNKJKSL-AWEZNQCLSA-N 2 1 311.433 2.808 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)c2cn(C)nc2C)[C@H](C)C1 ZINC000178717952 426682360 /nfs/dbraw/zinc/68/23/60/426682360.db2.gz QJBKGUAUFWBEAE-VKJFTORMSA-N 2 1 322.497 2.516 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)c2cn(C)nc2C)[C@H](C)C1 ZINC000178717952 426682364 /nfs/dbraw/zinc/68/23/64/426682364.db2.gz QJBKGUAUFWBEAE-VKJFTORMSA-N 2 1 322.497 2.516 20 0 DFADMP C[N@@H+](C[C@@H](O)CN[C@@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301428 426622583 /nfs/dbraw/zinc/62/25/83/426622583.db2.gz CTXIRNSZAXHPDZ-IRXDYDNUSA-N 2 1 308.441 2.958 20 0 DFADMP CN(C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301428 426622585 /nfs/dbraw/zinc/62/25/85/426622585.db2.gz CTXIRNSZAXHPDZ-IRXDYDNUSA-N 2 1 308.441 2.958 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301428 426622590 /nfs/dbraw/zinc/62/25/90/426622590.db2.gz CTXIRNSZAXHPDZ-IRXDYDNUSA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C(C)(C)C)C1CC1 ZINC000289301428 426622594 /nfs/dbraw/zinc/62/25/94/426622594.db2.gz CTXIRNSZAXHPDZ-IRXDYDNUSA-N 2 1 308.441 2.958 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C1CCC1 ZINC000178414438 426623972 /nfs/dbraw/zinc/62/39/72/426623972.db2.gz LVXJBLRHOJQNKD-MRXNPFEDSA-N 2 1 301.478 2.712 20 0 DFADMP CN(Cc1cccc(C(F)(F)F)c1)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000290095043 426690756 /nfs/dbraw/zinc/69/07/56/426690756.db2.gz WDQJVWRPXBRQIN-HNNXBMFYSA-N 2 1 316.367 2.592 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]Cc2cnc([C@H](C)O)s2)c1 ZINC000290209980 426717108 /nfs/dbraw/zinc/71/71/08/426717108.db2.gz DTYQVLMBBWAUNT-ZDUSSCGKSA-N 2 1 319.474 2.938 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000274434231 426768048 /nfs/dbraw/zinc/76/80/48/426768048.db2.gz WFUQTQVIGPYKOG-JQFCIGGWSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@@H](C)C1 ZINC000274434231 426768051 /nfs/dbraw/zinc/76/80/51/426768051.db2.gz WFUQTQVIGPYKOG-JQFCIGGWSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000290478845 426772767 /nfs/dbraw/zinc/77/27/67/426772767.db2.gz XHZOJTKNXGSNGP-CRAIPNDOSA-N 2 1 301.478 2.851 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000266752371 426773365 /nfs/dbraw/zinc/77/33/65/426773365.db2.gz QJXNGHPBYRUFMB-INIZCTEOSA-N 2 1 314.477 2.922 20 0 DFADMP Cn1c2ccccc2nc1CC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C ZINC000266752371 426773369 /nfs/dbraw/zinc/77/33/69/426773369.db2.gz QJXNGHPBYRUFMB-INIZCTEOSA-N 2 1 314.477 2.922 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C ZINC000266752371 426773372 /nfs/dbraw/zinc/77/33/72/426773372.db2.gz QJXNGHPBYRUFMB-INIZCTEOSA-N 2 1 314.477 2.922 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+](C)CC[C@@H]1CCCC[N@H+]1C ZINC000266752371 426773377 /nfs/dbraw/zinc/77/33/77/426773377.db2.gz QJXNGHPBYRUFMB-INIZCTEOSA-N 2 1 314.477 2.922 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C[C@@H](O)c2c(F)cccc2F)C1 ZINC000266872402 426788337 /nfs/dbraw/zinc/78/83/37/426788337.db2.gz QTFRMEYNTLWIFD-XJKSGUPXSA-N 2 1 312.404 2.662 20 0 DFADMP c1ccc(C[N@@H+](CC2CC[NH2+]CC2)CC2CCOCC2)cc1 ZINC000178972834 426727997 /nfs/dbraw/zinc/72/79/97/426727997.db2.gz IRPFKPPWGOLKHY-UHFFFAOYSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CCN1Cc1ccccc1 ZINC000178981112 426729705 /nfs/dbraw/zinc/72/97/05/426729705.db2.gz LEVKKLICUPPOLG-FXAWDEMLSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000178981112 426729711 /nfs/dbraw/zinc/72/97/11/426729711.db2.gz LEVKKLICUPPOLG-FXAWDEMLSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H]([NH+](C)CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000178981112 426729714 /nfs/dbraw/zinc/72/97/14/426729714.db2.gz LEVKKLICUPPOLG-FXAWDEMLSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)CC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000178981112 426729721 /nfs/dbraw/zinc/72/97/21/426729721.db2.gz LEVKKLICUPPOLG-FXAWDEMLSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)CC2CC[NH2+]CC2)CC[NH+]1Cc1ccccc1 ZINC000178981112 426729726 /nfs/dbraw/zinc/72/97/26/426729726.db2.gz LEVKKLICUPPOLG-FXAWDEMLSA-N 3 1 315.505 2.971 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000290294967 426733429 /nfs/dbraw/zinc/73/34/29/426733429.db2.gz ARMZLTJDUFZOTL-UHFFFAOYSA-N 2 1 303.454 2.745 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1cn(C)nc1C(C)(C)C ZINC000290294967 426733432 /nfs/dbraw/zinc/73/34/32/426733432.db2.gz ARMZLTJDUFZOTL-UHFFFAOYSA-N 2 1 303.454 2.745 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnn(Cc3ccccc3)c2)C1 ZINC000290343636 426745589 /nfs/dbraw/zinc/74/55/89/426745589.db2.gz FPIMDPQJBBLTEF-PMACEKPBSA-N 2 1 324.472 2.848 20 0 DFADMP CC1CCC2(CC1)OC[C@H](C[NH2+][C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)O2 ZINC000245565498 426753913 /nfs/dbraw/zinc/75/39/13/426753913.db2.gz PPKNLAVFZBJNNY-KIJWCHNMSA-N 2 1 310.482 2.627 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000266639653 426754739 /nfs/dbraw/zinc/75/47/39/426754739.db2.gz AEMIQFKABFLJRP-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCCN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000266639653 426754740 /nfs/dbraw/zinc/75/47/40/426754740.db2.gz AEMIQFKABFLJRP-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCCN(C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000266639653 426754744 /nfs/dbraw/zinc/75/47/44/426754744.db2.gz AEMIQFKABFLJRP-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[N@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000266639653 426754747 /nfs/dbraw/zinc/75/47/47/426754747.db2.gz AEMIQFKABFLJRP-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](C)[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000266639653 426754748 /nfs/dbraw/zinc/75/47/48/426754748.db2.gz AEMIQFKABFLJRP-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000266639653 426754751 /nfs/dbraw/zinc/75/47/51/426754751.db2.gz AEMIQFKABFLJRP-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccccc1OCC[NH+](C)[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000266639653 426754752 /nfs/dbraw/zinc/75/47/52/426754752.db2.gz AEMIQFKABFLJRP-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(Cl)nc1 ZINC000179128988 426756459 /nfs/dbraw/zinc/75/64/59/426756459.db2.gz SVNHDBMQSAEQTC-ZIAGYGMSSA-N 2 1 323.868 2.887 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245608507 426757081 /nfs/dbraw/zinc/75/70/81/426757081.db2.gz NPBVYUOZDPFYEP-BFYDXBDKSA-N 2 1 320.481 2.597 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N[C@@H]1CCCC[C@H]1C ZINC000245608507 426757086 /nfs/dbraw/zinc/75/70/86/426757086.db2.gz NPBVYUOZDPFYEP-BFYDXBDKSA-N 2 1 320.481 2.597 20 0 DFADMP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc(OC)c1O ZINC000290423262 426763140 /nfs/dbraw/zinc/76/31/40/426763140.db2.gz RECFIAJONLKWQD-GOOCMWNKSA-N 2 1 320.433 2.514 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3CCC[NH2+]C3)cc2)C1 ZINC000246242357 426812506 /nfs/dbraw/zinc/81/25/06/426812506.db2.gz IWPKRASTKNEBTJ-WBVHZDCISA-N 2 1 315.461 2.857 20 0 DFADMP CCn1cc(C[N@H+](Cc2ccccc2)C2CCN(C)CC2)cn1 ZINC000290661661 426814924 /nfs/dbraw/zinc/81/49/24/426814924.db2.gz ZTJNQLPJGRBLJL-UHFFFAOYSA-N 2 1 312.461 2.999 20 0 DFADMP CCn1cc(C[N@@H+](Cc2ccccc2)C2CCN(C)CC2)cn1 ZINC000290661661 426814927 /nfs/dbraw/zinc/81/49/27/426814927.db2.gz ZTJNQLPJGRBLJL-UHFFFAOYSA-N 2 1 312.461 2.999 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000246302945 426818244 /nfs/dbraw/zinc/81/82/44/426818244.db2.gz ARRADPMDIJOXLM-ZWKOTPCHSA-N 2 1 323.525 2.735 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274941689 426857533 /nfs/dbraw/zinc/85/75/33/426857533.db2.gz SZXHEBRXCKNBGO-GDAAHCPNSA-N 2 1 302.462 2.648 20 0 DFADMP COc1cccc([C@@H]2C[C@H](O)C[N@@H+]2CCC[NH+]2CCCCC2)c1 ZINC000282049815 426820322 /nfs/dbraw/zinc/82/03/22/426820322.db2.gz GJNRBPBWEAKFKU-HKUYNNGSSA-N 2 1 318.461 2.679 20 0 DFADMP COc1cccc([C@@H]2C[C@H](O)C[N@H+]2CCC[NH+]2CCCCC2)c1 ZINC000282049815 426820325 /nfs/dbraw/zinc/82/03/25/426820325.db2.gz GJNRBPBWEAKFKU-HKUYNNGSSA-N 2 1 318.461 2.679 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2sccc2Cl)CC1(C)C ZINC000282222237 426857584 /nfs/dbraw/zinc/85/75/84/426857584.db2.gz DZJCDRYQOBWWPU-UHFFFAOYSA-N 2 1 301.887 2.517 20 0 DFADMP C/C=C/C[C@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274741713 426827266 /nfs/dbraw/zinc/82/72/66/426827266.db2.gz FLPRWZIQFOLXCC-SFGAXHGTSA-N 2 1 302.462 2.814 20 0 DFADMP CC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000246392888 426828527 /nfs/dbraw/zinc/82/85/27/426828527.db2.gz BEPZUTHAMHKSFV-FUHWJXTLSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000246392888 426828530 /nfs/dbraw/zinc/82/85/30/426828530.db2.gz BEPZUTHAMHKSFV-FUHWJXTLSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246392888 426828534 /nfs/dbraw/zinc/82/85/34/426828534.db2.gz BEPZUTHAMHKSFV-FUHWJXTLSA-N 2 1 316.445 2.684 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246392888 426828537 /nfs/dbraw/zinc/82/85/37/426828537.db2.gz BEPZUTHAMHKSFV-FUHWJXTLSA-N 2 1 316.445 2.684 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189207800 426829342 /nfs/dbraw/zinc/82/93/42/426829342.db2.gz OJYJCWHLXKZVMU-IBGZPJMESA-N 2 1 319.468 2.736 20 0 DFADMP Cc1ccc(F)cc1C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1 ZINC000189207800 426829345 /nfs/dbraw/zinc/82/93/45/426829345.db2.gz OJYJCWHLXKZVMU-IBGZPJMESA-N 2 1 319.468 2.736 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H]1CCN(C)c2ccccc21 ZINC000180018410 426831016 /nfs/dbraw/zinc/83/10/16/426831016.db2.gz FXXKUNFKFZSSHF-CBZIJGRNSA-N 2 1 301.478 2.928 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H](C)NC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000246441792 426833056 /nfs/dbraw/zinc/83/30/56/426833056.db2.gz OPDUZRMXADZZNK-ZNMIVQPWSA-N 2 1 313.486 2.610 20 0 DFADMP COC(=O)c1ccccc1CC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000274774972 426833999 /nfs/dbraw/zinc/83/39/99/426833999.db2.gz IQAVKKRZZPHWPI-UHFFFAOYSA-N 2 1 318.461 2.820 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](C)[C@H](C)C1 ZINC000246460380 426834153 /nfs/dbraw/zinc/83/41/53/426834153.db2.gz YVZJAPUXWUBQST-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000246460380 426834158 /nfs/dbraw/zinc/83/41/58/426834158.db2.gz YVZJAPUXWUBQST-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000246460380 426834164 /nfs/dbraw/zinc/83/41/64/426834164.db2.gz YVZJAPUXWUBQST-FPAYPSAMSA-N 2 1 301.478 2.579 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000274797530 426839093 /nfs/dbraw/zinc/83/90/93/426839093.db2.gz MNCZHNHWYFFKIA-OIISXLGYSA-N 2 1 317.477 2.715 20 0 DFADMP CCn1ccnc1[C@H](C)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000295154603 426840398 /nfs/dbraw/zinc/84/03/98/426840398.db2.gz DAMDFMHZEVCLIE-HNNXBMFYSA-N 2 1 316.449 2.694 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000246510719 426841439 /nfs/dbraw/zinc/84/14/39/426841439.db2.gz QNPQXRZLTSXLGX-ZWKOTPCHSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[C@H]3CCC[NH2+]3)cc2)C1 ZINC000246567526 426845429 /nfs/dbraw/zinc/84/54/29/426845429.db2.gz USUFEUTZHIQDNX-CRAIPNDOSA-N 2 1 315.461 2.999 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309639292 426915965 /nfs/dbraw/zinc/91/59/65/426915965.db2.gz BBTSYJRKCFKUAA-CEXWTWQISA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309639292 426915972 /nfs/dbraw/zinc/91/59/72/426915972.db2.gz BBTSYJRKCFKUAA-CEXWTWQISA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309639292 426915981 /nfs/dbraw/zinc/91/59/81/426915981.db2.gz BBTSYJRKCFKUAA-CEXWTWQISA-N 3 1 301.478 2.616 20 0 DFADMP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)n1 ZINC000247259863 426919325 /nfs/dbraw/zinc/91/93/25/426919325.db2.gz ROIGBNSOMXBDKS-QGPMSJSTSA-N 2 1 312.461 2.999 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H](C)c1ccccc1 ZINC000282237968 426859604 /nfs/dbraw/zinc/85/96/04/426859604.db2.gz IYBCASZMQNVFGD-SJORKVTESA-N 2 1 303.494 2.794 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1CCOCC(F)(F)C(F)F ZINC000189509978 426873987 /nfs/dbraw/zinc/87/39/87/426873987.db2.gz NCOCPJWTHCKUDF-GFCCVEGCSA-N 2 1 323.334 2.573 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+]C2CC(OC(C)C)C2)cn1 ZINC000189522234 426877351 /nfs/dbraw/zinc/87/73/51/426877351.db2.gz ZQICYTRLPNRFRA-UHFFFAOYSA-N 2 1 300.406 2.621 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000305130329 426884936 /nfs/dbraw/zinc/88/49/36/426884936.db2.gz MQUFFCYQBHALJA-GDBMZVCRSA-N 2 1 308.491 2.808 20 0 DFADMP COc1ccc(C[C@H](C)C[N@@H+](C)C[C@H]2CC[NH+](C)C2)cc1F ZINC000275733554 426907967 /nfs/dbraw/zinc/90/79/67/426907967.db2.gz PDEXSHFAEQLBCQ-HOCLYGCPSA-N 2 1 308.441 2.896 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@H](C)[NH3+])C1)O[C@H](C)C2 ZINC000316997002 426952401 /nfs/dbraw/zinc/95/24/01/426952401.db2.gz MSDRFCLHNSVMQP-RDBSUJKOSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@H](C)[NH3+])C1)O[C@H](C)C2 ZINC000316997002 426952407 /nfs/dbraw/zinc/95/24/07/426952407.db2.gz MSDRFCLHNSVMQP-RDBSUJKOSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)CC[C@@H]1[NH3+] ZINC000316802375 426952976 /nfs/dbraw/zinc/95/29/76/426952976.db2.gz HVSNBAZYEUWDBX-ZENOOKHLSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc3c(cc2OC)C[C@H](C)O3)CC[C@@H]1[NH3+] ZINC000316802375 426952983 /nfs/dbraw/zinc/95/29/83/426952983.db2.gz HVSNBAZYEUWDBX-ZENOOKHLSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)O[C@H](C)C2 ZINC000316996995 426953120 /nfs/dbraw/zinc/95/31/20/426953120.db2.gz MSDRFCLHNSVMQP-MCIONIFRSA-N 2 1 304.434 2.578 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCC[C@H]([C@@H](C)[NH3+])C1)O[C@H](C)C2 ZINC000316996995 426953125 /nfs/dbraw/zinc/95/31/25/426953125.db2.gz MSDRFCLHNSVMQP-MCIONIFRSA-N 2 1 304.434 2.578 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CC2 ZINC000317064274 426954947 /nfs/dbraw/zinc/95/49/47/426954947.db2.gz YRSNSZRSAYXDAA-SQNIBIBYSA-N 2 1 300.446 2.769 20 0 DFADMP C[C@@H]1C[C@H](N[C@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000248043562 426974373 /nfs/dbraw/zinc/97/43/73/426974373.db2.gz UIOLLRAPUQZPBS-BHIYHBOVSA-N 2 1 301.478 2.896 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCC[C@@H]2CO)C12CCCC2 ZINC000181733607 426976896 /nfs/dbraw/zinc/97/68/96/426976896.db2.gz PSLZIINEUDTFMR-KZNAEPCWSA-N 2 1 324.509 2.551 20 0 DFADMP CCc1cccc(C[N@H+]2CCCC[C@@H](N3CCN(C)CC3)C2)c1 ZINC000189721003 426931222 /nfs/dbraw/zinc/93/12/22/426931222.db2.gz WUDKYSYHBMLDHE-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1cccc(C[N@@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000189721003 426931228 /nfs/dbraw/zinc/93/12/28/426931228.db2.gz WUDKYSYHBMLDHE-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1cccc(C[N@H+]2CCCC[C@@H](N3CC[NH+](C)CC3)C2)c1 ZINC000189721003 426931234 /nfs/dbraw/zinc/93/12/34/426931234.db2.gz WUDKYSYHBMLDHE-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP COc1ccc(OC)c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000315140165 426933282 /nfs/dbraw/zinc/93/32/82/426933282.db2.gz WNPAZWAVKBZGHD-YOEHRIQHSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000315140165 426933288 /nfs/dbraw/zinc/93/32/88/426933288.db2.gz WNPAZWAVKBZGHD-YOEHRIQHSA-N 2 1 304.434 2.668 20 0 DFADMP CCC[C@@H](C(=O)OCC)[N@H+]1CC[C@@H](CNc2cccc(C)[nH+]2)C1 ZINC000247399585 426936007 /nfs/dbraw/zinc/93/60/07/426936007.db2.gz REIONPZZMFZYTG-HOTGVXAUSA-N 2 1 319.449 2.856 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1sccc1C[NH+](C)C ZINC000268183741 426942960 /nfs/dbraw/zinc/94/29/60/426942960.db2.gz WOYWSSYAZUCHFS-HNNXBMFYSA-N 2 1 323.506 2.756 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292007602 427056212 /nfs/dbraw/zinc/05/62/12/427056212.db2.gz XPSKKISTCDXOAB-LJQANCHMSA-N 2 1 313.445 2.509 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+]1CCC[C@@](CO)(Cc2ccccc2)C1 ZINC000292007602 427056217 /nfs/dbraw/zinc/05/62/17/427056217.db2.gz XPSKKISTCDXOAB-LJQANCHMSA-N 2 1 313.445 2.509 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000181943739 427000249 /nfs/dbraw/zinc/00/02/49/427000249.db2.gz ZIZVHILGCGHWTI-INIZCTEOSA-N 2 1 310.413 2.597 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCCOc2cc(F)ccc21 ZINC000181943739 427000256 /nfs/dbraw/zinc/00/02/56/427000256.db2.gz ZIZVHILGCGHWTI-INIZCTEOSA-N 2 1 310.413 2.597 20 0 DFADMP C[C@@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283457606 427017189 /nfs/dbraw/zinc/01/71/89/427017189.db2.gz VEHWNKMALRYCMZ-NJAFHUGGSA-N 2 1 302.462 2.879 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000291904894 427023618 /nfs/dbraw/zinc/02/36/18/427023618.db2.gz NFFHXNDXDTYBOH-MRXNPFEDSA-N 2 1 317.477 2.741 20 0 DFADMP Cc1cc(N2CC[N@H+](C[C@H](C)O)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000248661478 427029236 /nfs/dbraw/zinc/02/92/36/427029236.db2.gz FOCMSYFSWDEGML-KBPBESRZSA-N 2 1 317.408 2.574 20 0 DFADMP CCC[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](CC)C1)[NH+](C)C ZINC000337903488 427030119 /nfs/dbraw/zinc/03/01/19/427030119.db2.gz LAVNVRMKBZHLEY-HZPDHXFCSA-N 2 1 311.514 2.734 20 0 DFADMP O[C@H](CCc1ccccc1)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000182414054 427073006 /nfs/dbraw/zinc/07/30/06/427073006.db2.gz LTJZAKCUCRPPCO-WOJBJXKFSA-N 2 1 316.489 2.788 20 0 DFADMP Cc1ccc(CN(C)C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000190319954 427073684 /nfs/dbraw/zinc/07/36/84/427073684.db2.gz HPGUALYANVCDFA-LJQANCHMSA-N 2 1 314.429 2.657 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H](NCC[NH+]2CCCC2)C3)cc1 ZINC000249056824 427082705 /nfs/dbraw/zinc/08/27/05/427082705.db2.gz YWRMREZSYOJVBW-OWZKRDHZSA-N 2 1 313.489 2.867 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1ccccc1)c1cncnc1 ZINC000338015209 427093316 /nfs/dbraw/zinc/09/33/16/427093316.db2.gz GXSAQRQFEWGAFJ-GOSISDBHSA-N 2 1 307.401 2.751 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268697850 427093847 /nfs/dbraw/zinc/09/38/47/427093847.db2.gz AFEBDSYFXGSZNC-INIZCTEOSA-N 2 1 317.477 2.658 20 0 DFADMP C[C@H]1C[C@H](NCC(C)(C)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000268701099 427094393 /nfs/dbraw/zinc/09/43/93/427094393.db2.gz FPSVIKRINAQEDY-FUHWJXTLSA-N 3 1 303.494 2.969 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102123 /nfs/dbraw/zinc/10/21/23/427102123.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102129 /nfs/dbraw/zinc/10/21/29/427102129.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102132 /nfs/dbraw/zinc/10/21/32/427102132.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102134 /nfs/dbraw/zinc/10/21/34/427102134.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719827 427102138 /nfs/dbraw/zinc/10/21/38/427102138.db2.gz NYKITJOEFAYQHA-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102494 /nfs/dbraw/zinc/10/24/94/427102494.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102499 /nfs/dbraw/zinc/10/24/99/427102499.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102505 /nfs/dbraw/zinc/10/25/05/427102505.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102509 /nfs/dbraw/zinc/10/25/09/427102509.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C2)[C@H](C)C1 ZINC000268719826 427102515 /nfs/dbraw/zinc/10/25/15/427102515.db2.gz NYKITJOEFAYQHA-NEWSRXKRSA-N 2 1 301.478 2.581 20 0 DFADMP O[C@H](C[NH2+][C@H]1CCCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000182567647 427102757 /nfs/dbraw/zinc/10/27/57/427102757.db2.gz MMXPSPAANYMBSM-AEFFLSMTSA-N 2 1 306.425 2.640 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249357553 427110484 /nfs/dbraw/zinc/11/04/84/427110484.db2.gz RTAYCSFJPGMDCC-SOLBZPMBSA-N 2 1 317.477 2.526 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000268783169 427113895 /nfs/dbraw/zinc/11/38/95/427113895.db2.gz QNJPOHATYABZAB-WMZOPIPTSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000268783169 427113900 /nfs/dbraw/zinc/11/39/00/427113900.db2.gz QNJPOHATYABZAB-WMZOPIPTSA-N 2 1 316.493 2.892 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+](C)Cc1ccccc1)C(C)(C)n1cncn1 ZINC000283993321 427116067 /nfs/dbraw/zinc/11/60/67/427116067.db2.gz HLTDWNSMERFFCB-INIZCTEOSA-N 2 1 315.465 2.513 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796226 427120066 /nfs/dbraw/zinc/12/00/66/427120066.db2.gz WRUVVKHWOHSHKT-WBAXXEDZSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1ccc(-n2cncn2)cc1 ZINC000268796226 427120072 /nfs/dbraw/zinc/12/00/72/427120072.db2.gz WRUVVKHWOHSHKT-WBAXXEDZSA-N 2 1 311.433 2.545 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000268802787 427122557 /nfs/dbraw/zinc/12/25/57/427122557.db2.gz HXFRMGPBLKINQV-JKSUJKDBSA-N 2 1 317.477 2.533 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000268828870 427132390 /nfs/dbraw/zinc/13/23/90/427132390.db2.gz ZZYSDKHVUJMBHN-NVXWUHKLSA-N 2 1 306.450 2.532 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2OCCOC)[C@H](C)C1 ZINC000268828870 427132394 /nfs/dbraw/zinc/13/23/94/427132394.db2.gz ZZYSDKHVUJMBHN-NVXWUHKLSA-N 2 1 306.450 2.532 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCCOc2ccccc21 ZINC000268966868 427141998 /nfs/dbraw/zinc/14/19/98/427141998.db2.gz YPNUNSOHHXCEJZ-FUHWJXTLSA-N 2 1 318.461 2.727 20 0 DFADMP COCCOc1ccc([C@H](C)[NH2+][C@@H](C)CC[NH+](C)C)cc1OC ZINC000268978316 427143132 /nfs/dbraw/zinc/14/31/32/427143132.db2.gz HJHRRFVYEYAWRL-GJZGRUSLSA-N 2 1 324.465 2.711 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000284179271 427148404 /nfs/dbraw/zinc/14/84/04/427148404.db2.gz XVLPFBQGIDOVQM-OAHLLOKOSA-N 2 1 314.433 2.576 20 0 DFADMP C[C@@H](c1ccc([S@@](C)=O)cc1)[N@@H+](C)CCCn1ccnc1 ZINC000182812479 427149178 /nfs/dbraw/zinc/14/91/78/427149178.db2.gz FSSIMIGJXHNJRY-LHSJRXKWSA-N 2 1 305.447 2.704 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)NCc1ccccc1C[N@@H+](C)C(C)C ZINC000296355192 427156252 /nfs/dbraw/zinc/15/62/52/427156252.db2.gz JDHAURWLLHYENH-HNNXBMFYSA-N 2 1 305.466 2.531 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CC2(C)OCCCO2)cc1 ZINC000190663708 427157394 /nfs/dbraw/zinc/15/73/94/427157394.db2.gz ANGCRMXBUZBQBB-CQSZACIVSA-N 2 1 315.417 2.984 20 0 DFADMP [NH3+]CCCC(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000269279653 427159580 /nfs/dbraw/zinc/15/95/80/427159580.db2.gz ZULLJFJFOGPUMQ-MRXNPFEDSA-N 2 1 323.868 2.550 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CC[C@@H]1CCC[NH+]1C ZINC000124730234 271028459 /nfs/dbraw/zinc/02/84/59/271028459.db2.gz AXWUEFVYPVULAQ-RDJZCZTQSA-N 2 1 313.449 2.744 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[NH+](C)CC[C@@H]1CCC[N@@H+]1C ZINC000124730234 271028461 /nfs/dbraw/zinc/02/84/61/271028461.db2.gz AXWUEFVYPVULAQ-RDJZCZTQSA-N 2 1 313.449 2.744 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[NH+](C)CC[C@@H]1CCC[N@H+]1C ZINC000124730234 271028464 /nfs/dbraw/zinc/02/84/64/271028464.db2.gz AXWUEFVYPVULAQ-RDJZCZTQSA-N 2 1 313.449 2.744 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cn1 ZINC000190697521 427163497 /nfs/dbraw/zinc/16/34/97/427163497.db2.gz YMILKYJABLULIO-INIZCTEOSA-N 2 1 304.482 2.892 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@@H]2C)cn1 ZINC000190697521 427163505 /nfs/dbraw/zinc/16/35/05/427163505.db2.gz YMILKYJABLULIO-INIZCTEOSA-N 2 1 304.482 2.892 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158528882 271075797 /nfs/dbraw/zinc/07/57/97/271075797.db2.gz LWQYLQOBSVKJIO-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158528882 271075802 /nfs/dbraw/zinc/07/58/02/271075802.db2.gz LWQYLQOBSVKJIO-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](Cc3ccc(-n4cccn4)cc3)CC[C@@H]21 ZINC000158528882 271075808 /nfs/dbraw/zinc/07/58/08/271075808.db2.gz LWQYLQOBSVKJIO-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC[N@H+]1C ZINC000230406487 271238604 /nfs/dbraw/zinc/23/86/04/271238604.db2.gz GFEZCKBHLUDBQD-ZIAGYGMSSA-N 2 1 311.470 2.506 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CNC(=O)C(C)(C)C[NH3+])cc2)C1 ZINC000237552879 271250443 /nfs/dbraw/zinc/25/04/43/271250443.db2.gz VYKGTZYNWBTSEL-OAHLLOKOSA-N 2 1 317.477 2.520 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc1F ZINC000270538881 271306603 /nfs/dbraw/zinc/30/66/03/271306603.db2.gz WSYXINQSGWDXMM-MRXNPFEDSA-N 2 1 306.425 2.998 20 0 DFADMP CC[NH+]1CCC([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC1 ZINC000279510108 271321976 /nfs/dbraw/zinc/32/19/76/271321976.db2.gz NMTJEDJTTIIDCR-HNNXBMFYSA-N 2 1 300.805 2.586 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CC[C@@H]3CCC[NH2+]C3)C2)no1 ZINC000333639033 271381953 /nfs/dbraw/zinc/38/19/53/271381953.db2.gz HVWBWCNWFZXPLD-LSDHHAIUSA-N 2 1 306.454 2.762 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1CO ZINC000284288265 427174290 /nfs/dbraw/zinc/17/42/90/427174290.db2.gz KEJWABMJDHBQJH-KSZLIROESA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CC[C@@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1CO ZINC000284288265 427174296 /nfs/dbraw/zinc/17/42/96/427174296.db2.gz KEJWABMJDHBQJH-KSZLIROESA-N 2 1 302.462 2.648 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@H]1CCc2c1cccc2Cl ZINC000182960180 427176135 /nfs/dbraw/zinc/17/61/35/427176135.db2.gz QKWKMZDDPDIQOX-SFHVURJKSA-N 2 1 321.896 2.897 20 0 DFADMP C[NH+](C)CC(C)(C)C[NH2+][C@H](Cc1ccccn1)c1cccnc1 ZINC000338194325 427182931 /nfs/dbraw/zinc/18/29/31/427182931.db2.gz WGDUAWWYXRBFSG-GOSISDBHSA-N 2 1 312.461 2.938 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000190853580 427190413 /nfs/dbraw/zinc/19/04/13/427190413.db2.gz NXXLKMJGCJRXIV-QGZVFWFLSA-N 2 1 304.482 2.748 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(N(C)C(C)C)nc2)C1 ZINC000190853580 427190418 /nfs/dbraw/zinc/19/04/18/427190418.db2.gz NXXLKMJGCJRXIV-QGZVFWFLSA-N 2 1 304.482 2.748 20 0 DFADMP Cc1cc(N2CC[C@H]3OCC[N@H+](C)[C@H]3C2)c2cc(F)ccc2[nH+]1 ZINC000284429724 427193570 /nfs/dbraw/zinc/19/35/70/427193570.db2.gz DAJXKDKFCXXNJY-ZWKOTPCHSA-N 2 1 315.392 2.592 20 0 DFADMP C[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1Cc1ccccc1 ZINC000284681270 427197543 /nfs/dbraw/zinc/19/75/43/427197543.db2.gz GXXGDZLXLUWOQN-VQTJNVASSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+]1CCCC[C@H]1CCN1CC[N@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284681270 427197545 /nfs/dbraw/zinc/19/75/45/427197545.db2.gz GXXGDZLXLUWOQN-VQTJNVASSA-N 2 1 315.505 2.720 20 0 DFADMP C[NH+]1CCCC[C@H]1CCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000284681270 427197551 /nfs/dbraw/zinc/19/75/51/427197551.db2.gz GXXGDZLXLUWOQN-VQTJNVASSA-N 2 1 315.505 2.720 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000292758707 427197792 /nfs/dbraw/zinc/19/77/92/427197792.db2.gz RTQVCPZRNKLVFG-INIZCTEOSA-N 2 1 305.809 2.624 20 0 DFADMP CC(C)(O)CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285368414 427209768 /nfs/dbraw/zinc/20/97/68/427209768.db2.gz ATPJBSNWTBYEFG-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)(O)CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285368414 427209774 /nfs/dbraw/zinc/20/97/74/427209774.db2.gz ATPJBSNWTBYEFG-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP CC(C)(O)CC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285368414 427209781 /nfs/dbraw/zinc/20/97/81/427209781.db2.gz ATPJBSNWTBYEFG-IBGZPJMESA-N 2 1 302.462 2.745 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000191000666 427228233 /nfs/dbraw/zinc/22/82/33/427228233.db2.gz RZDTYSOGSXYYCL-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1C ZINC000191000666 427228237 /nfs/dbraw/zinc/22/82/37/427228237.db2.gz RZDTYSOGSXYYCL-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP C[N@@H+](CCN1CC[C@]2(C1)CCC[NH+](C)C2)Cc1ccccc1 ZINC000296709460 427230431 /nfs/dbraw/zinc/23/04/31/427230431.db2.gz LUFNRHRSIMNKDJ-LJQANCHMSA-N 2 1 301.478 2.536 20 0 DFADMP C[NH+](CCN1CC[C@]2(C1)CCC[N@H+](C)C2)Cc1ccccc1 ZINC000296709460 427230441 /nfs/dbraw/zinc/23/04/41/427230441.db2.gz LUFNRHRSIMNKDJ-LJQANCHMSA-N 2 1 301.478 2.536 20 0 DFADMP C[NH+](CCN1CC[C@]2(C1)CCC[N@@H+](C)C2)Cc1ccccc1 ZINC000296709460 427230449 /nfs/dbraw/zinc/23/04/49/427230449.db2.gz LUFNRHRSIMNKDJ-LJQANCHMSA-N 2 1 301.478 2.536 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@H]1CCCC(F)(F)C1 ZINC000338284020 427234540 /nfs/dbraw/zinc/23/45/40/427234540.db2.gz JBYROFVWVCECCE-ZJIFWQFVSA-N 2 1 316.436 2.995 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000191028975 427235946 /nfs/dbraw/zinc/23/59/46/427235946.db2.gz OBFSGRNSAAKTIS-SJLPKXTDSA-N 2 1 312.498 2.624 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000285473700 427244208 /nfs/dbraw/zinc/24/42/08/427244208.db2.gz KWIOWYNMJQMEJU-KRWDZBQOSA-N 2 1 320.477 2.807 20 0 DFADMP Cc1nc(C(C)C)ccc1CN1CCC([N@@H+](C)CCCO)CC1 ZINC000293201795 427244518 /nfs/dbraw/zinc/24/45/18/427244518.db2.gz UJIHTQABFRSTRK-UHFFFAOYSA-N 2 1 319.493 2.792 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCCC(F)(F)C3)C2)CC1 ZINC000338309201 427251602 /nfs/dbraw/zinc/25/16/02/427251602.db2.gz UPXWSAMCPRZNPY-JKSUJKDBSA-N 2 1 315.452 2.524 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H](O)c1ccccc1)Cc1ccco1 ZINC000285680977 427306396 /nfs/dbraw/zinc/30/63/96/427306396.db2.gz NWZOKEWBVXWYOO-GOSISDBHSA-N 2 1 302.418 2.767 20 0 DFADMP COC(=O)CCC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285695116 427314897 /nfs/dbraw/zinc/31/48/97/427314897.db2.gz VONDHESTDMOQFN-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CCC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285695116 427314906 /nfs/dbraw/zinc/31/49/06/427314906.db2.gz VONDHESTDMOQFN-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CCC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285695116 427314912 /nfs/dbraw/zinc/31/49/12/427314912.db2.gz VONDHESTDMOQFN-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CCC[NH+]1CC[C@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285695116 427314920 /nfs/dbraw/zinc/31/49/20/427314920.db2.gz VONDHESTDMOQFN-IBGZPJMESA-N 2 1 316.445 2.538 20 0 DFADMP CC(C)[N@@H+](CC[C@H]1CCC[NH+]1C)C[C@H](O)COc1ccccc1 ZINC000277776623 427315998 /nfs/dbraw/zinc/31/59/98/427315998.db2.gz LWKVYPLUXUHZSW-MSOLQXFVSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[NH+](CC[C@H]1CCC[N@@H+]1C)C[C@H](O)COc1ccccc1 ZINC000277776623 427316001 /nfs/dbraw/zinc/31/60/01/427316001.db2.gz LWKVYPLUXUHZSW-MSOLQXFVSA-N 2 1 320.477 2.621 20 0 DFADMP CC(C)[NH+](CC[C@H]1CCC[N@H+]1C)C[C@H](O)COc1ccccc1 ZINC000277776623 427316007 /nfs/dbraw/zinc/31/60/07/427316007.db2.gz LWKVYPLUXUHZSW-MSOLQXFVSA-N 2 1 320.477 2.621 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(OC)c(OC)c2C)C1 ZINC000285744906 427326923 /nfs/dbraw/zinc/32/69/23/427326923.db2.gz RIZZBIQRGBBLIU-GDBMZVCRSA-N 2 1 320.477 2.875 20 0 DFADMP C[NH+](C)[C@H]1CCC[C@H]([NH2+]Cc2cncc(Br)c2)C1 ZINC000183726654 427328444 /nfs/dbraw/zinc/32/84/44/427328444.db2.gz AUHDLSRBMYQTBF-KBPBESRZSA-N 2 1 312.255 2.807 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[NH+](C)C1 ZINC000277825919 427333596 /nfs/dbraw/zinc/33/35/96/427333596.db2.gz LFQLXJBYRPZCIN-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[N@H+](C)C1 ZINC000277825919 427333604 /nfs/dbraw/zinc/33/36/04/427333604.db2.gz LFQLXJBYRPZCIN-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP C[NH+](CCC(=O)Nc1ccc(Cl)cc1)C[C@H]1CC[N@@H+](C)C1 ZINC000277825919 427333611 /nfs/dbraw/zinc/33/36/11/427333611.db2.gz LFQLXJBYRPZCIN-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261970066 427347283 /nfs/dbraw/zinc/34/72/83/427347283.db2.gz YVRCVRMYCMHWHP-JXFKEZNVSA-N 2 1 309.457 2.880 20 0 DFADMP C[C@]1(C[N@H+]2CCC[C@H]2c2ccc3c(c2)OCCO3)CC[NH2+]C1 ZINC000262107666 427349509 /nfs/dbraw/zinc/34/95/09/427349509.db2.gz WEIMWFLUMREVIF-YJBOKZPZSA-N 2 1 302.418 2.594 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000293519321 427350909 /nfs/dbraw/zinc/35/09/09/427350909.db2.gz UGFZDAXQIVJSAP-LSDHHAIUSA-N 2 1 315.461 2.523 20 0 DFADMP CC[C@@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285612306 427288609 /nfs/dbraw/zinc/28/86/09/427288609.db2.gz QECQLIYQQNESFL-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285612306 427288612 /nfs/dbraw/zinc/28/86/12/427288612.db2.gz QECQLIYQQNESFL-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285612306 427288619 /nfs/dbraw/zinc/28/86/19/427288619.db2.gz QECQLIYQQNESFL-RTBURBONSA-N 2 1 302.462 2.745 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](C[C@@H](O)c3cccnc3)C2)CC1 ZINC000297267717 427377601 /nfs/dbraw/zinc/37/76/01/427377601.db2.gz WNFRJILLOQVXMI-PKOBYXMFSA-N 2 1 317.477 2.559 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@@H](O)c3cccnc3)C2)CC1 ZINC000297267717 427377604 /nfs/dbraw/zinc/37/76/04/427377604.db2.gz WNFRJILLOQVXMI-PKOBYXMFSA-N 2 1 317.477 2.559 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)cc1)C(C)C ZINC000262918386 427381344 /nfs/dbraw/zinc/38/13/44/427381344.db2.gz ZDPXCCJEOVJRGT-MAUKXSAKSA-N 2 1 317.477 2.645 20 0 DFADMP C[C@H](NCc1cn(C(C)(C)C)nn1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000191580164 427381758 /nfs/dbraw/zinc/38/17/58/427381758.db2.gz YBPXBIDFMASCBY-GJZGRUSLSA-N 2 1 319.497 2.776 20 0 DFADMP COCCOc1ccccc1CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293619695 427383808 /nfs/dbraw/zinc/38/38/08/427383808.db2.gz KPZVXOMNEUGSFH-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000293619695 427383825 /nfs/dbraw/zinc/38/38/25/427383825.db2.gz KPZVXOMNEUGSFH-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccccc1C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000293619695 427383829 /nfs/dbraw/zinc/38/38/29/427383829.db2.gz KPZVXOMNEUGSFH-IBGZPJMESA-N 2 1 318.461 2.630 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000338571942 427389877 /nfs/dbraw/zinc/38/98/77/427389877.db2.gz NSAJQMMCEPEJOL-LSDHHAIUSA-N 2 1 310.482 2.818 20 0 DFADMP COCc1cc(C[NH2+][C@H](C)c2cccc(-n3ccnc3)c2)no1 ZINC000297317792 427399677 /nfs/dbraw/zinc/39/96/77/427399677.db2.gz CAHIADCWLZVDKC-CYBMUJFWSA-N 2 1 312.373 2.858 20 0 DFADMP C[N@@H+](CCN1CC[C@H]([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000297349601 427402007 /nfs/dbraw/zinc/40/20/07/427402007.db2.gz BINVVHRZMSEOII-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1OC ZINC000286014975 427402332 /nfs/dbraw/zinc/40/23/32/427402332.db2.gz IIRJZCGPCQCMRE-CQSZACIVSA-N 2 1 304.434 2.925 20 0 DFADMP CC(C)COc1ccc(CN2CCC([N@@H+](C)CCO)CC2)cc1 ZINC000271148634 427417671 /nfs/dbraw/zinc/41/76/71/427417671.db2.gz BZDQEFVKOAZYEF-UHFFFAOYSA-N 2 1 320.477 2.610 20 0 DFADMP CCCn1cc[nH+]c1CCCN(C)Cc1nc(CC(C)C)no1 ZINC000191490250 427361450 /nfs/dbraw/zinc/36/14/50/427361450.db2.gz STJLQNCVMWQPCI-UHFFFAOYSA-N 2 1 319.453 2.939 20 0 DFADMP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](N2CCCC2)C1 ZINC000191984907 427455535 /nfs/dbraw/zinc/45/55/35/427455535.db2.gz BTPPNSQLVVFMQY-IBGZPJMESA-N 2 1 310.445 2.851 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@H]2CCc3c2cccc3F)CCCO1 ZINC000278807487 427461582 /nfs/dbraw/zinc/46/15/82/427461582.db2.gz ZOAAQJGAQZRFOS-KDOFPFPSSA-N 2 1 306.425 2.904 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@H]2CCc3c2cccc3F)CCCO1 ZINC000278807487 427461585 /nfs/dbraw/zinc/46/15/85/427461585.db2.gz ZOAAQJGAQZRFOS-KDOFPFPSSA-N 2 1 306.425 2.904 20 0 DFADMP COC(=O)c1coc([C@H](C)[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c1 ZINC000278834985 427469431 /nfs/dbraw/zinc/46/94/31/427469431.db2.gz UIOALWFDAGGGAV-NEPJUHHUSA-N 2 1 305.378 2.558 20 0 DFADMP C=Cn1cc(CN[C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000278857331 427479218 /nfs/dbraw/zinc/47/92/18/427479218.db2.gz LRSGNGAANJOXPN-LPHOPBHVSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000278857331 427479226 /nfs/dbraw/zinc/47/92/26/427479226.db2.gz LRSGNGAANJOXPN-LPHOPBHVSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000278857331 427479232 /nfs/dbraw/zinc/47/92/32/427479232.db2.gz LRSGNGAANJOXPN-LPHOPBHVSA-N 2 1 310.445 2.984 20 0 DFADMP C[C@@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000192094102 427481379 /nfs/dbraw/zinc/48/13/79/427481379.db2.gz YYEWCFHKQHCRAP-OWCLPIDISA-N 2 1 317.477 2.518 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000271284253 427482120 /nfs/dbraw/zinc/48/21/20/427482120.db2.gz OPCNOHNOZZXCED-HXUWFJFHSA-N 2 1 313.489 2.821 20 0 DFADMP CC[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000293901318 427482416 /nfs/dbraw/zinc/48/24/16/427482416.db2.gz ZPUCCHXTVMXAMY-CADBVGFASA-N 2 1 302.462 2.648 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3c(C)cccc3Cl)C2)CC1 ZINC000297669649 427424398 /nfs/dbraw/zinc/42/43/98/427424398.db2.gz ZRSCRQURPHIAKW-MRXNPFEDSA-N 2 1 321.896 2.860 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)o1 ZINC000263164673 427427606 /nfs/dbraw/zinc/42/76/06/427427606.db2.gz PSLRVUXBDZFGFO-HLLBOEOZSA-N 2 1 306.450 2.730 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCN(Cc2ccccc2)[C@@H]1C ZINC000293762874 427428318 /nfs/dbraw/zinc/42/83/18/427428318.db2.gz PDPIDYPFJBRLSN-VQIMIIECSA-N 2 1 312.461 2.834 20 0 DFADMP COCCOc1ccc(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1 ZINC000293776020 427433088 /nfs/dbraw/zinc/43/30/88/427433088.db2.gz YYXVWKKUJGWGMC-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293776020 427433096 /nfs/dbraw/zinc/43/30/96/427433096.db2.gz YYXVWKKUJGWGMC-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)cc1 ZINC000293776020 427433099 /nfs/dbraw/zinc/43/30/99/427433099.db2.gz YYXVWKKUJGWGMC-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP c1n[nH]cc1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000297714451 427436684 /nfs/dbraw/zinc/43/66/84/427436684.db2.gz RIGUVMOQVAXHMS-IBGZPJMESA-N 2 1 310.445 2.550 20 0 DFADMP c1n[nH]cc1CC[NH+]1CC[C@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000297714451 427436691 /nfs/dbraw/zinc/43/66/91/427436691.db2.gz RIGUVMOQVAXHMS-IBGZPJMESA-N 2 1 310.445 2.550 20 0 DFADMP C[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000286150683 427437223 /nfs/dbraw/zinc/43/72/23/427437223.db2.gz PJPBJRBHFDTRAX-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc(N(C)C)s2)C1 ZINC000271190551 427442836 /nfs/dbraw/zinc/44/28/36/427442836.db2.gz PPAGUVLDTLQSKX-CYBMUJFWSA-N 2 1 319.478 2.805 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc(N(C)C)s2)C1 ZINC000271190551 427442841 /nfs/dbraw/zinc/44/28/41/427442841.db2.gz PPAGUVLDTLQSKX-CYBMUJFWSA-N 2 1 319.478 2.805 20 0 DFADMP Cc1cncc([C@@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000184361826 427446105 /nfs/dbraw/zinc/44/61/05/427446105.db2.gz NGWQIBHXNXDVSP-CVEARBPZSA-N 2 1 303.450 2.542 20 0 DFADMP CC[N@@H+]1C[C@H](N[C@@H](C[NH+](C)C)c2ccc(Cl)cc2)[C@@H](C)C1 ZINC000338794739 427493409 /nfs/dbraw/zinc/49/34/09/427493409.db2.gz RAQAJNARKJARSN-JQFCIGGWSA-N 2 1 309.885 2.873 20 0 DFADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1O ZINC000297990086 427496510 /nfs/dbraw/zinc/49/65/10/427496510.db2.gz YPRXNOLLAARTBO-ZBFHGGJFSA-N 2 1 306.450 2.953 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(CNCc3cocn3)cc2)C[C@H](C)O1 ZINC000192283139 427515125 /nfs/dbraw/zinc/51/51/25/427515125.db2.gz VQDAFOBXKWSSAD-GASCZTMLSA-N 2 1 315.417 2.574 20 0 DFADMP C[C@@H]1CN(Cc2ccc(CNCc3cocn3)cc2)C[C@H](C)O1 ZINC000192283139 427515129 /nfs/dbraw/zinc/51/51/29/427515129.db2.gz VQDAFOBXKWSSAD-GASCZTMLSA-N 2 1 315.417 2.574 20 0 DFADMP c1n[nH]cc1CC[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000298105341 427522356 /nfs/dbraw/zinc/52/23/56/427522356.db2.gz NUGFAVHAXHVFDX-UHFFFAOYSA-N 2 1 324.472 2.940 20 0 DFADMP Cc1c([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cnn1C(C)C ZINC000278987143 427524655 /nfs/dbraw/zinc/52/46/55/427524655.db2.gz PQWXDCAUDDJORD-UKRRQHHQSA-N 2 1 301.438 2.882 20 0 DFADMP CN1CC[N@H+](C)[C@H](CNc2ccnc3c(Cl)cccc23)C1 ZINC000286425309 427524794 /nfs/dbraw/zinc/52/47/94/427524794.db2.gz BKKSKJXZNTYVAZ-GFCCVEGCSA-N 2 1 304.825 2.546 20 0 DFADMP CN1CC[N@@H+](C)[C@H](CNc2ccnc3c(Cl)cccc23)C1 ZINC000286425309 427524800 /nfs/dbraw/zinc/52/48/00/427524800.db2.gz BKKSKJXZNTYVAZ-GFCCVEGCSA-N 2 1 304.825 2.546 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000286442468 427529879 /nfs/dbraw/zinc/52/98/79/427529879.db2.gz JKPYAVZBPXYRHR-AEFFLSMTSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000286442468 427529881 /nfs/dbraw/zinc/52/98/81/427529881.db2.gz JKPYAVZBPXYRHR-AEFFLSMTSA-N 2 1 312.461 2.729 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000279033735 427537291 /nfs/dbraw/zinc/53/72/91/427537291.db2.gz WLXLBZBYLKHDEZ-KGLIPLIRSA-N 2 1 313.401 2.568 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000192439035 427539440 /nfs/dbraw/zinc/53/94/40/427539440.db2.gz CNCVBOKDHRXXJL-ZBFHGGJFSA-N 2 1 300.446 2.626 20 0 DFADMP C[C@H](O)CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000279062385 427545501 /nfs/dbraw/zinc/54/55/01/427545501.db2.gz KZTJKSZOCQADPN-DSLXNQLJSA-N 2 1 302.462 2.933 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470968 427551695 /nfs/dbraw/zinc/55/16/95/427551695.db2.gz YYBFGNKKVBNROG-PMACEKPBSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000272052954 427614637 /nfs/dbraw/zinc/61/46/37/427614637.db2.gz QSCUVNVPFKQKEL-SFHVURJKSA-N 2 1 313.401 2.704 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC[C@H]3C)CC2)oc1C ZINC000192538398 427559861 /nfs/dbraw/zinc/55/98/61/427559861.db2.gz AFLDDIWLICGPCF-CXAGYDPISA-N 2 1 321.465 2.518 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304416 427570800 /nfs/dbraw/zinc/57/08/00/427570800.db2.gz COCXUEAIDGUFHJ-WBAXXEDZSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN2CCCC[C@@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304416 427570809 /nfs/dbraw/zinc/57/08/09/427570809.db2.gz COCXUEAIDGUFHJ-WBAXXEDZSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304416 427570813 /nfs/dbraw/zinc/57/08/13/427570813.db2.gz COCXUEAIDGUFHJ-WBAXXEDZSA-N 2 1 311.433 2.545 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12)c1cccc(-n2ccnn2)c1 ZINC000287304416 427570818 /nfs/dbraw/zinc/57/08/18/427570818.db2.gz COCXUEAIDGUFHJ-WBAXXEDZSA-N 2 1 311.433 2.545 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000271526967 427571430 /nfs/dbraw/zinc/57/14/30/427571430.db2.gz REULPLBSXZOQOR-CVEARBPZSA-N 2 1 312.461 2.722 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000332342570 427583422 /nfs/dbraw/zinc/58/34/22/427583422.db2.gz REKCOUXXETWRRN-KFWWJZLASA-N 2 1 306.454 2.761 20 0 DFADMP Cc1ccc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)c(-c2ccnn2C)c1 ZINC000338951000 427584506 /nfs/dbraw/zinc/58/45/06/427584506.db2.gz BVTVBXTUMINOAE-INIZCTEOSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338951000 427584513 /nfs/dbraw/zinc/58/45/13/427584513.db2.gz BVTVBXTUMINOAE-INIZCTEOSA-N 2 1 312.461 2.779 20 0 DFADMP Cc1ccc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)c(-c2ccnn2C)c1 ZINC000338951000 427584518 /nfs/dbraw/zinc/58/45/18/427584518.db2.gz BVTVBXTUMINOAE-INIZCTEOSA-N 2 1 312.461 2.779 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000298372207 427588516 /nfs/dbraw/zinc/58/85/16/427588516.db2.gz KSSGQQAOESEAOA-KRWDZBQOSA-N 3 1 316.493 2.760 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000271912235 427594265 /nfs/dbraw/zinc/59/42/65/427594265.db2.gz YCAGWXHXFWYDGJ-PXNSSMCTSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000271912235 427594270 /nfs/dbraw/zinc/59/42/70/427594270.db2.gz YCAGWXHXFWYDGJ-PXNSSMCTSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CC[NH+]1Cc1ccccc1 ZINC000271912235 427594273 /nfs/dbraw/zinc/59/42/73/427594273.db2.gz YCAGWXHXFWYDGJ-PXNSSMCTSA-N 3 1 313.489 2.891 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@H+](C)CC2)CCN1Cc1ccccc1 ZINC000271912235 427594276 /nfs/dbraw/zinc/59/42/76/427594276.db2.gz YCAGWXHXFWYDGJ-PXNSSMCTSA-N 2 1 313.489 2.891 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCN1Cc1ccccc1 ZINC000271912235 427594282 /nfs/dbraw/zinc/59/42/82/427594282.db2.gz YCAGWXHXFWYDGJ-PXNSSMCTSA-N 2 1 313.489 2.891 20 0 DFADMP C[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)N1CCc2ccccc2C1 ZINC000192751626 427600536 /nfs/dbraw/zinc/60/05/36/427600536.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 2 1 313.489 2.648 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C)[NH+]1CCc2ccccc2C1 ZINC000192751626 427600544 /nfs/dbraw/zinc/60/05/44/427600544.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 2 1 313.489 2.648 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2C)[NH+]1CCc2ccccc2C1 ZINC000192751626 427600552 /nfs/dbraw/zinc/60/05/52/427600552.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 2 1 313.489 2.648 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@@H+]1CCc2ccccc2C1 ZINC000192751626 427600560 /nfs/dbraw/zinc/60/05/60/427600560.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 2 1 313.489 2.648 20 0 DFADMP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[NH+]2C)[N@H+]1CCc2ccccc2C1 ZINC000192751626 427600566 /nfs/dbraw/zinc/60/05/66/427600566.db2.gz KKXWKHYKICRKMR-MIJOPJBOSA-N 2 1 313.489 2.648 20 0 DFADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000185158431 427606300 /nfs/dbraw/zinc/60/63/00/427606300.db2.gz IXQTXQJQOFSXFR-UHFFFAOYSA-N 2 1 317.477 2.920 20 0 DFADMP COc1ccc(O[C@@H](C)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192909134 427634690 /nfs/dbraw/zinc/63/46/90/427634690.db2.gz FWMCICJGYJQNJH-HNSVSWJLSA-N 2 1 304.434 2.677 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000287543586 427635432 /nfs/dbraw/zinc/63/54/32/427635432.db2.gz PLTGLAQKEAVMAE-DVOMOZLQSA-N 2 1 305.422 2.683 20 0 DFADMP C[C@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)cc1 ZINC000272112136 427636473 /nfs/dbraw/zinc/63/64/73/427636473.db2.gz RKOHIHPUWOVCED-QAPCUYQASA-N 2 1 308.441 2.756 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1nc(-c3ccccc3)no1)CC[NH2+]CC2 ZINC000333546146 427644984 /nfs/dbraw/zinc/64/49/84/427644984.db2.gz IRPWGSMYKCYJOH-CQSZACIVSA-N 2 1 312.417 2.701 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]Cc2sccc2Cl)CC1 ZINC000193086670 427662650 /nfs/dbraw/zinc/66/26/50/427662650.db2.gz OGSNNTLOAOJJBK-UHFFFAOYSA-N 2 1 315.914 2.765 20 0 DFADMP Clc1csc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)c1 ZINC000193113996 427669954 /nfs/dbraw/zinc/66/99/54/427669954.db2.gz NITRJSPYSVROLP-LBPRGKRZSA-N 2 1 314.882 2.992 20 0 DFADMP CC[NH+](CC)[C@@H](CN[C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000342944178 272069674 /nfs/dbraw/zinc/06/96/74/272069674.db2.gz IUXKXQYJGLBNMH-WDSOQIARSA-N 2 1 303.494 2.999 20 0 DFADMP Cc1cc(NC[C@H]2C[C@@H](F)C[N@@H+]2Cc2cccs2)cc[nH+]1 ZINC000342994216 272074342 /nfs/dbraw/zinc/07/43/42/272074342.db2.gz NXXXOKRVUQGILH-UKRRQHHQSA-N 2 1 305.422 2.898 20 0 DFADMP Cc1cc(NC[C@H]2C[C@@H](F)C[N@H+]2Cc2cccs2)cc[nH+]1 ZINC000342994216 272074345 /nfs/dbraw/zinc/07/43/45/272074345.db2.gz NXXXOKRVUQGILH-UKRRQHHQSA-N 2 1 305.422 2.898 20 0 DFADMP OCC1([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CCC1 ZINC000193114733 427667840 /nfs/dbraw/zinc/66/78/40/427667840.db2.gz PQVAMKDVJSBICS-AYHJJNSGSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(=O)N1CCCC1 ZINC000343465764 272153847 /nfs/dbraw/zinc/15/38/47/272153847.db2.gz JWCULMZQDXTKPR-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC[C@H]1CCCO1 ZINC000343480254 272156993 /nfs/dbraw/zinc/15/69/93/272156993.db2.gz ZEXXJXAYDZEHKL-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP COC(=O)c1occc1C[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000343563065 272171384 /nfs/dbraw/zinc/17/13/84/272171384.db2.gz GCJYRDUHHBQSEK-GASCZTMLSA-N 2 1 322.449 2.914 20 0 DFADMP CO[C@H](C)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000295053175 427674943 /nfs/dbraw/zinc/67/49/43/427674943.db2.gz PTLVHFBHZQXCLX-XGXHKWSGSA-N 2 1 302.462 2.912 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC1CCC(C[NH3+])CC1)c1ccccc1 ZINC000343640116 272191266 /nfs/dbraw/zinc/19/12/66/272191266.db2.gz LLKCWZVPBHIZHB-HTWSVDAQSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000343833510 272228290 /nfs/dbraw/zinc/22/82/90/272228290.db2.gz ORKGLSOEYDNTSK-WMZOPIPTSA-N 2 1 302.462 2.543 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000343833510 272228291 /nfs/dbraw/zinc/22/82/91/272228291.db2.gz ORKGLSOEYDNTSK-WMZOPIPTSA-N 2 1 302.462 2.543 20 0 DFADMP Cc1cccc(C)c1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343922056 272238234 /nfs/dbraw/zinc/23/82/34/272238234.db2.gz KNNPWYUJHCMDJP-UYAOXDASSA-N 2 1 315.505 2.761 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccc(F)c(Cl)c1)CC[NH+](C)C ZINC000344025490 272250213 /nfs/dbraw/zinc/25/02/13/272250213.db2.gz ISCXPXUOOSULPU-UHFFFAOYSA-N 2 1 315.864 2.794 20 0 DFADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)C1(C)C ZINC000344070461 272256861 /nfs/dbraw/zinc/25/68/61/272256861.db2.gz SMUYZBZXZMCGJD-BPKGMFCQSA-N 2 1 312.498 2.525 20 0 DFADMP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)C1 ZINC000344087313 272260063 /nfs/dbraw/zinc/26/00/63/272260063.db2.gz IKKLYHKJVMNXBI-ZIFCJYIRSA-N 2 1 324.472 2.871 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CC1 ZINC000344294595 272306218 /nfs/dbraw/zinc/30/62/18/272306218.db2.gz JEMHBOVTXFCAKP-LJQANCHMSA-N 2 1 308.429 2.612 20 0 DFADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)C1 ZINC000344292179 272306525 /nfs/dbraw/zinc/30/65/25/272306525.db2.gz FSXUBTFSCQECNP-QFBILLFUSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3=CC[N@H+](C)CC3)CC2)C1 ZINC000344292179 272306527 /nfs/dbraw/zinc/30/65/27/272306527.db2.gz FSXUBTFSCQECNP-QFBILLFUSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H]1CCC[C@@H]([NH+]2CCC(NCC3=CC[N@@H+](C)CC3)CC2)C1 ZINC000344292179 272306530 /nfs/dbraw/zinc/30/65/30/272306530.db2.gz FSXUBTFSCQECNP-QFBILLFUSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000344307642 272308906 /nfs/dbraw/zinc/30/89/06/272308906.db2.gz XLANDMLUOGKTGQ-CYBMUJFWSA-N 2 1 313.445 2.829 20 0 DFADMP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000344335069 272315517 /nfs/dbraw/zinc/31/55/17/272315517.db2.gz QRHQTSZNMVWGIF-UKRRQHHQSA-N 2 1 323.506 2.814 20 0 DFADMP CO[C@@H]1CCC[C@@H]1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000344335069 272315519 /nfs/dbraw/zinc/31/55/19/272315519.db2.gz QRHQTSZNMVWGIF-UKRRQHHQSA-N 2 1 323.506 2.814 20 0 DFADMP CCc1ccc(CNC[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344525299 272334024 /nfs/dbraw/zinc/33/40/24/272334024.db2.gz IATCHWLDWISKHR-LJQANCHMSA-N 2 1 314.429 2.569 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@@H+](Cc2ccccc2)C1 ZINC000344775290 272367251 /nfs/dbraw/zinc/36/72/51/272367251.db2.gz WAQLHRYMFHYBRR-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000344775290 272367252 /nfs/dbraw/zinc/36/72/52/272367252.db2.gz WAQLHRYMFHYBRR-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+](Cc2ccccc2)C1 ZINC000344775290 272367253 /nfs/dbraw/zinc/36/72/53/272367253.db2.gz WAQLHRYMFHYBRR-LFGUQSLTSA-N 2 1 315.505 2.969 20 0 DFADMP CO[C@H](C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000295080247 427685098 /nfs/dbraw/zinc/68/50/98/427685098.db2.gz TVJUXUXQNPAFJH-AYOQOUSVSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(CO)o1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272258538 427688083 /nfs/dbraw/zinc/68/80/83/427688083.db2.gz ZPIGJIVQURMIFE-WBVHZDCISA-N 2 1 314.429 2.772 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(CO)o1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272258538 427688089 /nfs/dbraw/zinc/68/80/89/427688089.db2.gz ZPIGJIVQURMIFE-WBVHZDCISA-N 2 1 314.429 2.772 20 0 DFADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)n1 ZINC000185668527 427688348 /nfs/dbraw/zinc/68/83/48/427688348.db2.gz WOIFIDRJMGRWGI-HUUCEWRRSA-N 2 1 303.450 2.833 20 0 DFADMP COc1cccc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)n1 ZINC000185668527 427688354 /nfs/dbraw/zinc/68/83/54/427688354.db2.gz WOIFIDRJMGRWGI-HUUCEWRRSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185679227 427689397 /nfs/dbraw/zinc/68/93/97/427689397.db2.gz JPFAKMCJGGNELT-HZPDHXFCSA-N 2 1 315.461 2.868 20 0 DFADMP C[C@@H]([NH2+]CC(=O)Nc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185679227 427689404 /nfs/dbraw/zinc/68/94/04/427689404.db2.gz JPFAKMCJGGNELT-HZPDHXFCSA-N 2 1 315.461 2.868 20 0 DFADMP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185743831 427699603 /nfs/dbraw/zinc/69/96/03/427699603.db2.gz RULDFLQLFMDPOL-YVWKXTFCSA-N 2 1 316.489 2.833 20 0 DFADMP CC(C)[N@@H+](C)CCCNCc1ccccc1N1CCO[C@@H](C)C1 ZINC000298780991 427702169 /nfs/dbraw/zinc/70/21/69/427702169.db2.gz MODUOMXMANJEHA-KRWDZBQOSA-N 2 1 319.493 2.732 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000298780991 427702173 /nfs/dbraw/zinc/70/21/73/427702173.db2.gz MODUOMXMANJEHA-KRWDZBQOSA-N 2 1 319.493 2.732 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCO[C@@H](C)C1 ZINC000298780991 427702176 /nfs/dbraw/zinc/70/21/76/427702176.db2.gz MODUOMXMANJEHA-KRWDZBQOSA-N 2 1 319.493 2.732 20 0 DFADMP Cc1ccc([C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH+]2CCCC2)cc1 ZINC000299443674 427765355 /nfs/dbraw/zinc/76/53/55/427765355.db2.gz ZLSFPKFXMONSHU-GOSISDBHSA-N 2 1 317.477 2.588 20 0 DFADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@H](CO)C(C)C)cc1 ZINC000339431727 427774091 /nfs/dbraw/zinc/77/40/91/427774091.db2.gz UUFWGADDRNARKK-PKOBYXMFSA-N 2 1 320.477 2.514 20 0 DFADMP CC(=O)c1ccccc1OCCN1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000339432916 427774374 /nfs/dbraw/zinc/77/43/74/427774374.db2.gz FRYZVRNHUSKDJK-IBGZPJMESA-N 2 1 316.445 2.686 20 0 DFADMP CC(C)C[C@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000345680151 272516555 /nfs/dbraw/zinc/51/65/55/272516555.db2.gz XYTZPUJJNPSQSG-FUHWJXTLSA-N 2 1 319.493 2.599 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCOC1 ZINC000336725084 427750083 /nfs/dbraw/zinc/75/00/83/427750083.db2.gz XPTKUZJYYSPYDE-OTWHNJEPSA-N 2 1 302.462 2.913 20 0 DFADMP CCOCC[N@@H+]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000301429452 427795367 /nfs/dbraw/zinc/79/53/67/427795367.db2.gz VDDSXIHMTDMKNV-AWEZNQCLSA-N 2 1 317.408 2.921 20 0 DFADMP CCOCC[N@H+]1CCN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000301429452 427795370 /nfs/dbraw/zinc/79/53/70/427795370.db2.gz VDDSXIHMTDMKNV-AWEZNQCLSA-N 2 1 317.408 2.921 20 0 DFADMP COCCC[N@@H+](CCc1ccc(OC)cc1)CC1CC[NH2+]CC1 ZINC000337075113 427796084 /nfs/dbraw/zinc/79/60/84/427796084.db2.gz PWHSNJZGDGNIBD-UHFFFAOYSA-N 2 1 320.477 2.576 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC(C)(C)[C@H]3CCC[C@@H]32)CC1 ZINC000339714156 427816789 /nfs/dbraw/zinc/81/67/89/427816789.db2.gz AYBRYUPFWRXOCX-ROUUACIJSA-N 2 1 307.526 2.913 20 0 DFADMP CCc1cc(N2CC[N@@H+](C[C@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301802685 427825484 /nfs/dbraw/zinc/82/54/84/427825484.db2.gz UAKOTIYPPOLMQP-CABCVRRESA-N 2 1 313.445 2.689 20 0 DFADMP CCCc1cc(N2C[C@@H]3OCC[N@@H+](C)[C@H]3C2)c2ccccc2[nH+]1 ZINC000301803331 427826333 /nfs/dbraw/zinc/82/63/33/427826333.db2.gz UGURNIXEJBGQLG-OALUTQOASA-N 2 1 311.429 2.707 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CCN(c2cc(NCC3CC3)ncn2)CC1 ZINC000301833331 427828216 /nfs/dbraw/zinc/82/82/16/427828216.db2.gz RYCPHXUBKNGDBP-AWEZNQCLSA-N 2 1 315.465 2.752 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000340378785 427834740 /nfs/dbraw/zinc/83/47/40/427834740.db2.gz UNURJSYKFAJLRU-HCXYKTFWSA-N 2 1 318.461 2.606 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000340378785 427834744 /nfs/dbraw/zinc/83/47/44/427834744.db2.gz UNURJSYKFAJLRU-HCXYKTFWSA-N 2 1 318.461 2.606 20 0 DFADMP CCn1nc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)c2ccccc21 ZINC000349643128 427835580 /nfs/dbraw/zinc/83/55/80/427835580.db2.gz DSBMXHDDLPXRLP-CQSZACIVSA-N 2 1 311.433 2.987 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000349656408 427838954 /nfs/dbraw/zinc/83/89/54/427838954.db2.gz PPTSKYDESGRKPV-RCCFBDPRSA-N 2 1 323.525 2.686 20 0 DFADMP CC[C@@H]1C[C@H](C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CCO1 ZINC000355675761 427843817 /nfs/dbraw/zinc/84/38/17/427843817.db2.gz WANNRHCLHMVYMG-XMTFNYHQSA-N 2 1 312.498 2.671 20 0 DFADMP c1cc2c(cc1C[NH2+]C1CC[NH+](C3CCC3)CC1)OCCO2 ZINC000340423950 427845231 /nfs/dbraw/zinc/84/52/31/427845231.db2.gz ACMCIMLQDAOATP-UHFFFAOYSA-N 2 1 302.418 2.564 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@]1(C)CCCO1 ZINC000340463075 427855197 /nfs/dbraw/zinc/85/51/97/427855197.db2.gz ATBQPQVCGVPXHJ-QFBILLFUSA-N 2 1 302.462 2.982 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@]1(C)CCCO1 ZINC000340463075 427855201 /nfs/dbraw/zinc/85/52/01/427855201.db2.gz ATBQPQVCGVPXHJ-QFBILLFUSA-N 2 1 302.462 2.982 20 0 DFADMP CC(C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)CC12CCOCC2 ZINC000340469541 427857108 /nfs/dbraw/zinc/85/71/08/427857108.db2.gz KMLPBMKGNLTKRY-GOSISDBHSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)C(C)(C)n1cncn1 ZINC000340469553 427857261 /nfs/dbraw/zinc/85/72/61/427857261.db2.gz KQPQZFXFOMWJNX-IXDOHACOSA-N 2 1 321.513 2.749 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000346266872 272609649 /nfs/dbraw/zinc/60/96/49/272609649.db2.gz IYSXWLUROJGAPL-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(CO)CCC2)CC[N@H+]1Cc1ccccc1 ZINC000346266872 272609651 /nfs/dbraw/zinc/60/96/51/272609651.db2.gz IYSXWLUROJGAPL-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)CN(CC[NH+](C)C)C(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000340527111 427872819 /nfs/dbraw/zinc/87/28/19/427872819.db2.gz BWFLLXZNJIZGSK-QGZVFWFLSA-N 2 1 323.525 2.687 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCC1 ZINC000359508810 427880889 /nfs/dbraw/zinc/88/08/89/427880889.db2.gz HMEZHPJQNWPSIE-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000359508810 427880896 /nfs/dbraw/zinc/88/08/96/427880896.db2.gz HMEZHPJQNWPSIE-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCN1CCCC1 ZINC000359508810 427880898 /nfs/dbraw/zinc/88/08/98/427880898.db2.gz HMEZHPJQNWPSIE-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1ccc(F)c(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)c1 ZINC000337403148 427885653 /nfs/dbraw/zinc/88/56/53/427885653.db2.gz IBMQHUXCVGUNFG-UHFFFAOYSA-N 2 1 321.484 2.982 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409597 427892662 /nfs/dbraw/zinc/89/26/62/427892662.db2.gz WHJBSJKCTIYADP-CVEARBPZSA-N 2 1 320.477 2.875 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNc1cc(NCC2CC2)ncn1 ZINC000340013664 427901462 /nfs/dbraw/zinc/90/14/62/427901462.db2.gz AZVYQGCDLBFEFJ-HNNXBMFYSA-N 2 1 317.481 3.365 20 0 DFADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000345808559 427914520 /nfs/dbraw/zinc/91/45/20/427914520.db2.gz RHEFKGHYQQYUAU-AEFFLSMTSA-N 2 1 319.493 2.599 20 0 DFADMP CC1CCN(C(=[NH2+])NC[C@@H]2CCC[N@H+]2Cc2ccccc2)CC1 ZINC000304126360 427918331 /nfs/dbraw/zinc/91/83/31/427918331.db2.gz OPCYXTROHVAMSX-SFHVURJKSA-N 2 1 314.477 2.907 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H]2C)CC1 ZINC000337469178 427920178 /nfs/dbraw/zinc/92/01/78/427920178.db2.gz OPIRZWUTSFKONL-LSDHHAIUSA-N 2 1 321.431 2.675 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000304260701 427921047 /nfs/dbraw/zinc/92/10/47/427921047.db2.gz FMSZWLRKUHGTLW-WMLDXEAASA-N 2 1 308.853 2.791 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)c1ccc(Cl)cc1 ZINC000304260701 427921049 /nfs/dbraw/zinc/92/10/49/427921049.db2.gz FMSZWLRKUHGTLW-WMLDXEAASA-N 2 1 308.853 2.791 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C[C@@H]1C ZINC000345933225 427957852 /nfs/dbraw/zinc/95/78/52/427957852.db2.gz AKMAYIVNJGXKMS-YESZJQIVSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000345933225 427957857 /nfs/dbraw/zinc/95/78/57/427957857.db2.gz AKMAYIVNJGXKMS-YESZJQIVSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C[C@@H]1C ZINC000345933225 427957861 /nfs/dbraw/zinc/95/78/61/427957861.db2.gz AKMAYIVNJGXKMS-YESZJQIVSA-N 2 1 321.509 2.582 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CC)C2)[C@H]1Oc1ccccc1 ZINC000359660900 427959629 /nfs/dbraw/zinc/95/96/29/427959629.db2.gz MMEWTQYUGRGFCM-GDAAHCPNSA-N 2 1 318.461 2.543 20 0 DFADMP C[C@H](CCCC(F)(F)F)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000359659231 427960949 /nfs/dbraw/zinc/96/09/49/427960949.db2.gz GOEBMCRDBSZKGZ-CQSZACIVSA-N 2 1 309.420 2.725 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@H]2CCCC23CCCC3)CC1 ZINC000340235770 427963393 /nfs/dbraw/zinc/96/33/93/427963393.db2.gz MBFYROBALILVIL-SFHVURJKSA-N 2 1 307.526 2.963 20 0 DFADMP CCCN(CC[NH+]1CCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000359667053 427965011 /nfs/dbraw/zinc/96/50/11/427965011.db2.gz SHSXDPLVNBCVIR-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000346983330 272706253 /nfs/dbraw/zinc/70/62/53/272706253.db2.gz PQMLCZPINISVQN-GDBMZVCRSA-N 2 1 309.498 2.534 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C[C@@H]1c1ccccc1 ZINC000340262555 427969362 /nfs/dbraw/zinc/96/93/62/427969362.db2.gz LNBFOVVVAQRBPI-ZIFCJYIRSA-N 2 1 310.445 2.692 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)C[C@@H]1c1ccccc1 ZINC000340262555 427969367 /nfs/dbraw/zinc/96/93/67/427969367.db2.gz LNBFOVVVAQRBPI-ZIFCJYIRSA-N 2 1 310.445 2.692 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](C)[C@H](c2ccccc2)C1 ZINC000340263442 427971389 /nfs/dbraw/zinc/97/13/89/427971389.db2.gz VXKBFCBSVJTXGQ-LQJIQPLVSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340263442 427971392 /nfs/dbraw/zinc/97/13/92/427971392.db2.gz VXKBFCBSVJTXGQ-LQJIQPLVSA-N 2 1 313.489 2.894 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1N[C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340263442 427971398 /nfs/dbraw/zinc/97/13/98/427971398.db2.gz VXKBFCBSVJTXGQ-LQJIQPLVSA-N 2 1 313.489 2.894 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1CN1CCC(Cc2nccn2C)CC1 ZINC000340281857 427976920 /nfs/dbraw/zinc/97/69/20/427976920.db2.gz FGNWQSMFESALOI-GOSISDBHSA-N 2 1 318.509 2.938 20 0 DFADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340288919 427979233 /nfs/dbraw/zinc/97/92/33/427979233.db2.gz DIYBPOVVMKKKIR-SJORKVTESA-N 2 1 314.433 2.736 20 0 DFADMP Cc1noc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)n1 ZINC000340288919 427979239 /nfs/dbraw/zinc/97/92/39/427979239.db2.gz DIYBPOVVMKKKIR-SJORKVTESA-N 2 1 314.433 2.736 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]CC2=CC[N@@H+](C)CC2)CCCN1Cc1ccccc1 ZINC000340314543 427984280 /nfs/dbraw/zinc/98/42/80/427984280.db2.gz DVJCMEYLKCNNAL-XLIONFOSSA-N 2 1 313.489 2.891 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+]2CCCC2)[C@@H]1Oc1ccccc1 ZINC000359716203 427986664 /nfs/dbraw/zinc/98/66/64/427986664.db2.gz MLKALXCMCJVTCK-QRVBRYPASA-N 2 1 318.461 2.687 20 0 DFADMP C[C@H](CCNC(=O)C[C@H]1CCC[C@@H]1[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000340116837 427931716 /nfs/dbraw/zinc/93/17/16/427931716.db2.gz BJLANVUHOIHWKB-NXHRZFHOSA-N 2 1 317.477 2.531 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175496 427944732 /nfs/dbraw/zinc/94/47/32/427944732.db2.gz LDADMSDUDJXNRP-QRFRQXIXSA-N 3 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175496 427944741 /nfs/dbraw/zinc/94/47/41/427944741.db2.gz LDADMSDUDJXNRP-QRFRQXIXSA-N 2 1 313.489 2.896 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175496 427944747 /nfs/dbraw/zinc/94/47/47/427944747.db2.gz LDADMSDUDJXNRP-QRFRQXIXSA-N 2 1 313.489 2.896 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@H]1c1ccccc1 ZINC000340175496 427944750 /nfs/dbraw/zinc/94/47/50/427944750.db2.gz LDADMSDUDJXNRP-QRFRQXIXSA-N 2 1 313.489 2.896 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H]2CC[NH+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175497 427945786 /nfs/dbraw/zinc/94/57/86/427945786.db2.gz LDADMSDUDJXNRP-XKGZKEIXSA-N 3 1 313.489 2.896 20 0 DFADMP C[NH+]1CC[C@H](NC[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175497 427945796 /nfs/dbraw/zinc/94/57/96/427945796.db2.gz LDADMSDUDJXNRP-XKGZKEIXSA-N 2 1 313.489 2.896 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175497 427945802 /nfs/dbraw/zinc/94/58/02/427945802.db2.gz LDADMSDUDJXNRP-XKGZKEIXSA-N 2 1 313.489 2.896 20 0 DFADMP CN1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)C[C@@H]1c1ccccc1 ZINC000340175497 427945805 /nfs/dbraw/zinc/94/58/05/427945805.db2.gz LDADMSDUDJXNRP-XKGZKEIXSA-N 2 1 313.489 2.896 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@@H]1C ZINC000345917029 427950591 /nfs/dbraw/zinc/95/05/91/427950591.db2.gz JXQUGTRUNHELMV-IRXDYDNUSA-N 2 1 311.514 2.830 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@H](C)[N@@H+](CC)C[C@H]1C ZINC000345917026 427951600 /nfs/dbraw/zinc/95/16/00/427951600.db2.gz JXQUGTRUNHELMV-DLBZAZTESA-N 2 1 311.514 2.830 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000369652167 428026580 /nfs/dbraw/zinc/02/65/80/428026580.db2.gz CKRKLKLXNXDTHE-LBPRGKRZSA-N 2 1 314.380 2.671 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(c2noc(C(F)F)n2)CC1 ZINC000369652167 428026584 /nfs/dbraw/zinc/02/65/84/428026584.db2.gz CKRKLKLXNXDTHE-LBPRGKRZSA-N 2 1 314.380 2.671 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCCO1 ZINC000341372755 428050871 /nfs/dbraw/zinc/05/08/71/428050871.db2.gz OGOSNCCSKRNWAN-AKHDSKFASA-N 2 1 324.509 2.672 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)CCCO1 ZINC000341372755 428050875 /nfs/dbraw/zinc/05/08/75/428050875.db2.gz OGOSNCCSKRNWAN-AKHDSKFASA-N 2 1 324.509 2.672 20 0 DFADMP CCCc1ccc2[nH+]ccc(N3C[C@@H]4[C@H](C3)OCC[N@H+]4C)c2c1 ZINC000413469090 428057221 /nfs/dbraw/zinc/05/72/21/428057221.db2.gz JJEKZFPCSPXCTN-MOPGFXCFSA-N 2 1 311.429 2.707 20 0 DFADMP Cc1cc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)nc(C)n1 ZINC000369562172 427999267 /nfs/dbraw/zinc/99/92/67/427999267.db2.gz XWGPSRQSFAJGJY-BBRMVZONSA-N 2 1 302.447 3.260 20 0 DFADMP Cc1cc(NC[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)nc(C)[nH+]1 ZINC000369562172 427999279 /nfs/dbraw/zinc/99/92/79/427999279.db2.gz XWGPSRQSFAJGJY-BBRMVZONSA-N 2 1 302.447 3.260 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340364923 428000240 /nfs/dbraw/zinc/00/02/40/428000240.db2.gz GDRJHVYORVLJBL-KBPBESRZSA-N 2 1 302.340 2.948 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)C[C@H]1c1ccccc1 ZINC000340364923 428000245 /nfs/dbraw/zinc/00/02/45/428000245.db2.gz GDRJHVYORVLJBL-KBPBESRZSA-N 2 1 302.340 2.948 20 0 DFADMP Cc1cc(NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)nc(C)n1 ZINC000369562174 428001306 /nfs/dbraw/zinc/00/13/06/428001306.db2.gz XWGPSRQSFAJGJY-CJNGLKHVSA-N 2 1 302.447 3.260 20 0 DFADMP Cc1cc(NC[C@H]2CC[N@H+](C)[C@@H]2c2cccs2)nc(C)[nH+]1 ZINC000369562174 428001312 /nfs/dbraw/zinc/00/13/12/428001312.db2.gz XWGPSRQSFAJGJY-CJNGLKHVSA-N 2 1 302.447 3.260 20 0 DFADMP CC[C@@H](C(=O)Nc1ccccc1C[NH+]1CCSCC1)[NH+](C)C ZINC000413301394 428015177 /nfs/dbraw/zinc/01/51/77/428015177.db2.gz WBOWROIELRYCAZ-INIZCTEOSA-N 2 1 321.490 2.514 20 0 DFADMP C[C@@H]([NH2+]CC1(CCO)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376899518 428019468 /nfs/dbraw/zinc/01/94/68/428019468.db2.gz SLMLLSLGFAMKEH-AEFFLSMTSA-N 2 1 302.462 2.649 20 0 DFADMP C1C[N@H+]2CCCC[C@H]2[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000359940915 428084952 /nfs/dbraw/zinc/08/49/52/428084952.db2.gz IZOZHGRKQZQVEM-MOPGFXCFSA-N 2 1 305.510 3.000 20 0 DFADMP Cn1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)c(C2CCCCC2)n1 ZINC000369913638 428088694 /nfs/dbraw/zinc/08/86/94/428088694.db2.gz RZVXVRUMMZQBOF-INIZCTEOSA-N 2 1 313.449 2.769 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NCc1cccnc1OC1CCCC1 ZINC000360036635 428127921 /nfs/dbraw/zinc/12/79/21/428127921.db2.gz HGWGEDMFUNMOFN-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccccc2C(F)(F)F)C1 ZINC000351859195 428114473 /nfs/dbraw/zinc/11/44/73/428114473.db2.gz FVLVIMAFKJOAPW-NWDGAFQWSA-N 2 1 302.340 2.753 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351859767 428114647 /nfs/dbraw/zinc/11/46/47/428114647.db2.gz DRIUIUGFVVQWFK-NXHRZFHOSA-N 2 1 317.477 2.559 20 0 DFADMP CC(C)C[C@H](NC(=O)C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1)c1ccccc1 ZINC000351859767 428114650 /nfs/dbraw/zinc/11/46/50/428114650.db2.gz DRIUIUGFVVQWFK-NXHRZFHOSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000360007761 428115657 /nfs/dbraw/zinc/11/56/57/428115657.db2.gz RDAYVHHMNXDLFT-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000360007761 428115662 /nfs/dbraw/zinc/11/56/62/428115662.db2.gz RDAYVHHMNXDLFT-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000360007761 428115668 /nfs/dbraw/zinc/11/56/68/428115668.db2.gz RDAYVHHMNXDLFT-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016438 428116415 /nfs/dbraw/zinc/11/64/15/428116415.db2.gz MHGAEMMJKQBTSV-WBVHZDCISA-N 2 1 318.461 2.662 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016438 428116419 /nfs/dbraw/zinc/11/64/19/428116419.db2.gz MHGAEMMJKQBTSV-WBVHZDCISA-N 2 1 318.461 2.662 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016438 428116421 /nfs/dbraw/zinc/11/64/21/428116421.db2.gz MHGAEMMJKQBTSV-WBVHZDCISA-N 2 1 318.461 2.662 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016434 428116682 /nfs/dbraw/zinc/11/66/82/428116682.db2.gz MHGAEMMJKQBTSV-DOTOQJQBSA-N 2 1 318.461 2.662 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016434 428116686 /nfs/dbraw/zinc/11/66/86/428116686.db2.gz MHGAEMMJKQBTSV-DOTOQJQBSA-N 2 1 318.461 2.662 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc3c(c2)OCCO3)[C@@H](C)C1 ZINC000360016434 428116688 /nfs/dbraw/zinc/11/66/88/428116688.db2.gz MHGAEMMJKQBTSV-DOTOQJQBSA-N 2 1 318.461 2.662 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCCO2 ZINC000360020248 428119413 /nfs/dbraw/zinc/11/94/13/428119413.db2.gz UINDMYDJDDDKQL-UKRRQHHQSA-N 2 1 313.401 2.710 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@H](C)C(C)C)CC1 ZINC000360025019 428123221 /nfs/dbraw/zinc/12/32/21/428123221.db2.gz QTKFHHYRWBIOIP-QGZVFWFLSA-N 2 1 303.494 2.958 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)CCn1c(C)nc2ccccc21 ZINC000356200438 428063429 /nfs/dbraw/zinc/06/34/29/428063429.db2.gz PSONVRVRLXELCQ-CQSZACIVSA-N 2 1 316.449 2.581 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)CCn1c(C)nc2ccccc21 ZINC000356200437 428064148 /nfs/dbraw/zinc/06/41/48/428064148.db2.gz PSONVRVRLXELCQ-AWEZNQCLSA-N 2 1 316.449 2.581 20 0 DFADMP CC(C)(C)[NH+]1CCC(Nc2cc[nH+]c(N3CCCCC3)n2)CC1 ZINC000352410419 428134069 /nfs/dbraw/zinc/13/40/69/428134069.db2.gz QFBNGHWHNLPPKA-UHFFFAOYSA-N 2 1 317.481 3.142 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000370110033 428136729 /nfs/dbraw/zinc/13/67/29/428136729.db2.gz DSDDZPYZXGBQTN-QGZVFWFLSA-N 2 1 303.450 2.719 20 0 DFADMP Cc1ncccc1O[C@@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000370110033 428136734 /nfs/dbraw/zinc/13/67/34/428136734.db2.gz DSDDZPYZXGBQTN-QGZVFWFLSA-N 2 1 303.450 2.719 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000352546038 428144974 /nfs/dbraw/zinc/14/49/74/428144974.db2.gz OMSVMHXCFGTGQU-KRWDZBQOSA-N 2 1 316.474 2.724 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c(-c2cccs2)n1 ZINC000352546038 428144979 /nfs/dbraw/zinc/14/49/79/428144979.db2.gz OMSVMHXCFGTGQU-KRWDZBQOSA-N 2 1 316.474 2.724 20 0 DFADMP COC(=O)CCC[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000370168136 428149600 /nfs/dbraw/zinc/14/96/00/428149600.db2.gz AFMAOPNRAWVHIC-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000370168136 428149602 /nfs/dbraw/zinc/14/96/02/428149602.db2.gz AFMAOPNRAWVHIC-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000370168136 428149607 /nfs/dbraw/zinc/14/96/07/428149607.db2.gz AFMAOPNRAWVHIC-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP COC(=O)CCC[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000370168136 428149614 /nfs/dbraw/zinc/14/96/14/428149614.db2.gz AFMAOPNRAWVHIC-SJLPKXTDSA-N 2 1 318.461 2.782 20 0 DFADMP CCCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000370167567 428150746 /nfs/dbraw/zinc/15/07/46/428150746.db2.gz QZNNQKSOFIBSSC-ZFWWWQNUSA-N 2 1 308.857 2.857 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3cccnc3C)C2)nc(C)[nH+]1 ZINC000360095894 428159014 /nfs/dbraw/zinc/15/90/14/428159014.db2.gz OAESUPLMONKJJY-KRWDZBQOSA-N 2 1 311.433 2.555 20 0 DFADMP COc1ccc(OC)c(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000360154459 428182749 /nfs/dbraw/zinc/18/27/49/428182749.db2.gz SFKIFVMLSDPKDE-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+][C@H]2CCCc3cc(F)ccc32)CC1 ZINC000341705063 428162706 /nfs/dbraw/zinc/16/27/06/428162706.db2.gz FWCQOBQTZXVXQI-MJGOQNOKSA-N 2 1 320.452 2.886 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000346444928 428174479 /nfs/dbraw/zinc/17/44/79/428174479.db2.gz MLMRBDXGFMMXNH-VXGBXAGGSA-N 2 1 314.367 2.708 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000346444928 428174482 /nfs/dbraw/zinc/17/44/82/428174482.db2.gz MLMRBDXGFMMXNH-VXGBXAGGSA-N 2 1 314.367 2.708 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCOCC(F)(F)C(F)F)C[C@H]1C ZINC000346444928 428174487 /nfs/dbraw/zinc/17/44/87/428174487.db2.gz MLMRBDXGFMMXNH-VXGBXAGGSA-N 2 1 314.367 2.708 20 0 DFADMP C[NH+]1CCN([C@@H]2CCCC[N@H+](CCSC(C)(C)C)C2)CC1 ZINC000370286750 428176284 /nfs/dbraw/zinc/17/62/84/428176284.db2.gz YJPXDFOYCMVDEC-MRXNPFEDSA-N 2 1 313.555 2.620 20 0 DFADMP C[NH+]1CCN([C@@H]2CCCC[N@@H+](CCSC(C)(C)C)C2)CC1 ZINC000370286750 428176289 /nfs/dbraw/zinc/17/62/89/428176289.db2.gz YJPXDFOYCMVDEC-MRXNPFEDSA-N 2 1 313.555 2.620 20 0 DFADMP C[N@H+](C[C@H](O)c1cccc(Cl)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377646963 428182445 /nfs/dbraw/zinc/18/24/45/428182445.db2.gz SBSIYWFEAZKGNF-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1cccc(Cl)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377646963 428182449 /nfs/dbraw/zinc/18/24/49/428182449.db2.gz SBSIYWFEAZKGNF-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000377733107 428212904 /nfs/dbraw/zinc/21/29/04/428212904.db2.gz SKSUBKSCWHOJFX-OAHLLOKOSA-N 2 1 307.829 2.769 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](n2cc(Cl)cn2)C1 ZINC000377733107 428212909 /nfs/dbraw/zinc/21/29/09/428212909.db2.gz SKSUBKSCWHOJFX-OAHLLOKOSA-N 2 1 307.829 2.769 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCOCC(F)F)C1)CCCC2 ZINC000346546771 428213432 /nfs/dbraw/zinc/21/34/32/428213432.db2.gz ZZMNKIAQOPJNJQ-CYBMUJFWSA-N 2 1 313.392 2.599 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCOCC(F)F)C1)CCCC2 ZINC000346546771 428213436 /nfs/dbraw/zinc/21/34/36/428213436.db2.gz ZZMNKIAQOPJNJQ-CYBMUJFWSA-N 2 1 313.392 2.599 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]CC[NH+]2[C@@H](C)CCC[C@@H]2C)cn1 ZINC000414130572 428214094 /nfs/dbraw/zinc/21/40/94/428214094.db2.gz WRZMNNQUEAXYFY-JYJNAYRXSA-N 2 1 305.466 2.874 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCCCC1 ZINC000346559747 428216768 /nfs/dbraw/zinc/21/67/68/428216768.db2.gz MMAGYYPIOXUTHD-MRXNPFEDSA-N 2 1 323.525 2.878 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)C)C2)[C@H](C)C1 ZINC000414144357 428216904 /nfs/dbraw/zinc/21/69/04/428216904.db2.gz MPGJFCQUEKITHQ-BDXSIMOUSA-N 2 1 312.498 2.669 20 0 DFADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356523051 428217342 /nfs/dbraw/zinc/21/73/42/428217342.db2.gz JMGQIBCESLRYRT-OALUTQOASA-N 2 1 324.472 2.980 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356523051 428217347 /nfs/dbraw/zinc/21/73/47/428217347.db2.gz JMGQIBCESLRYRT-OALUTQOASA-N 2 1 324.472 2.980 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356523051 428217357 /nfs/dbraw/zinc/21/73/57/428217357.db2.gz JMGQIBCESLRYRT-OALUTQOASA-N 2 1 324.472 2.980 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CCO1 ZINC000352713391 428217572 /nfs/dbraw/zinc/21/75/72/428217572.db2.gz DDRCBIPJYQQRNI-VXIBKDFQSA-N 2 1 324.509 2.623 20 0 DFADMP C[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C(N)=O)cc2)[C@@H]1c1ccccc1 ZINC000377761222 428220360 /nfs/dbraw/zinc/22/03/60/428220360.db2.gz LXIRMNUDDPXZOW-MOPGFXCFSA-N 2 1 323.440 2.568 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]CC[C@@H]3CCC[N@@H+](C)C3)c(C)n2n1 ZINC000414169645 428221153 /nfs/dbraw/zinc/22/11/53/428221153.db2.gz BFZUEDBUUUUVJF-HOCLYGCPSA-N 2 1 315.465 2.729 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCCNc2cccc(F)c2)s1 ZINC000352734669 428224054 /nfs/dbraw/zinc/22/40/54/428224054.db2.gz ZMQBEKQNHUNMJY-UHFFFAOYSA-N 2 1 322.453 2.936 20 0 DFADMP Cc1ncc(C(=O)N[C@H](C[N@@H+](C)Cc2ccccc2)C(C)C)[nH]1 ZINC000346573200 428224381 /nfs/dbraw/zinc/22/43/81/428224381.db2.gz QJKJTWVJYYBEEL-QGZVFWFLSA-N 2 1 314.433 2.605 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H](c2ccccc2)c2cncnc2)C1 ZINC000414174234 428225080 /nfs/dbraw/zinc/22/50/80/428225080.db2.gz GMDKDHQLLYCEKL-APWZRJJASA-N 2 1 310.445 2.888 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000414172880 428225166 /nfs/dbraw/zinc/22/51/66/428225166.db2.gz FQZPRYYVWGHZRK-HUUCEWRRSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000414180673 428227197 /nfs/dbraw/zinc/22/71/97/428227197.db2.gz LQSRKRPAJMBMNA-JKSUJKDBSA-N 2 1 317.477 2.771 20 0 DFADMP Cc1cc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc(C)c1O ZINC000352738072 428227238 /nfs/dbraw/zinc/22/72/38/428227238.db2.gz MCWUPAXIEVANSE-UHFFFAOYSA-N 2 1 319.474 2.859 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@H](CCO)C2CCCCC2)s1 ZINC000352747634 428228036 /nfs/dbraw/zinc/22/80/36/428228036.db2.gz FIEZSYUUSNQDHN-OAHLLOKOSA-N 2 1 311.495 2.626 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCO1)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000346590270 428231417 /nfs/dbraw/zinc/23/14/17/428231417.db2.gz YARWUDBVLRNQSU-SFHVURJKSA-N 2 1 303.450 2.799 20 0 DFADMP CCc1cnc(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)s1 ZINC000352752851 428232670 /nfs/dbraw/zinc/23/26/70/428232670.db2.gz ZMMWAMYMNOPQRX-UHFFFAOYSA-N 2 1 310.492 2.556 20 0 DFADMP CCC1(CC)[C@H]([NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@@H]1OC ZINC000352756732 428234369 /nfs/dbraw/zinc/23/43/69/428234369.db2.gz CSDKMDXBSGKRQL-KGLIPLIRSA-N 2 1 311.495 2.888 20 0 DFADMP Brc1ccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)nc1 ZINC000167673631 273472891 /nfs/dbraw/zinc/47/28/91/273472891.db2.gz XJDMSOPXRWTLQT-OAHLLOKOSA-N 2 1 324.266 2.808 20 0 DFADMP Cc1noc(C)c1[C@H](C)C[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000352761784 428238063 /nfs/dbraw/zinc/23/80/63/428238063.db2.gz ZKSSZSLGEITZTC-SNVBAGLBSA-N 2 1 308.451 2.703 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000414243154 428239746 /nfs/dbraw/zinc/23/97/46/428239746.db2.gz OFIHGAFCSIDGES-UHFFFAOYSA-N 2 1 318.440 2.997 20 0 DFADMP C[C@@H]1CCC[C@@](CNCc2ncc(C[NH+](C)C)s2)([NH+](C)C)C1 ZINC000352768416 428240028 /nfs/dbraw/zinc/24/00/28/428240028.db2.gz FMEJRYYSAFFGQB-RHSMWYFYSA-N 2 1 324.538 2.805 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1cnn(CC(F)F)c1)C(C)C ZINC000352659254 428187757 /nfs/dbraw/zinc/18/77/57/428187757.db2.gz ITTLGVYBXSJSGG-UHFFFAOYSA-N 2 1 302.413 2.747 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCC[C@@H](C)C2)cn1 ZINC000414056606 428193019 /nfs/dbraw/zinc/19/30/19/428193019.db2.gz DQLASSIXMCEUSS-OWCLPIDISA-N 2 1 305.466 2.731 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cn1 ZINC000414056606 428193023 /nfs/dbraw/zinc/19/30/23/428193023.db2.gz DQLASSIXMCEUSS-OWCLPIDISA-N 2 1 305.466 2.731 20 0 DFADMP C[C@@H](CCC1CC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000346522510 428204978 /nfs/dbraw/zinc/20/49/78/428204978.db2.gz KHUJWGJMCLPGIJ-LPHOPBHVSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H](CCC1CC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000346522510 428204981 /nfs/dbraw/zinc/20/49/81/428204981.db2.gz KHUJWGJMCLPGIJ-LPHOPBHVSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000346663616 428263313 /nfs/dbraw/zinc/26/33/13/428263313.db2.gz BZAPDFAULDJQDK-CMPLNLGQSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000346663616 428263314 /nfs/dbraw/zinc/26/33/14/428263314.db2.gz BZAPDFAULDJQDK-CMPLNLGQSA-N 2 1 320.330 2.936 20 0 DFADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000370653949 428263793 /nfs/dbraw/zinc/26/37/93/428263793.db2.gz VPAIHRHJTQGPEA-FGTMMUONSA-N 2 1 312.498 2.528 20 0 DFADMP CC(C)CCOCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C ZINC000370653951 428265302 /nfs/dbraw/zinc/26/53/02/428265302.db2.gz VPAIHRHJTQGPEA-OKZBNKHCSA-N 2 1 312.498 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2c2ccco2)[C@H](C)C1 ZINC000414350831 428265670 /nfs/dbraw/zinc/26/56/70/428265670.db2.gz ZNXRSWVFVDYDGO-QBPKDAKJSA-N 2 1 306.450 2.862 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]C2CCC3(CCCC3)CC2)C1 ZINC000352831105 428268009 /nfs/dbraw/zinc/26/80/09/428268009.db2.gz BXZNKGBUJXJCSU-MRXNPFEDSA-N 2 1 321.509 2.666 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000352830387 428268892 /nfs/dbraw/zinc/26/88/92/428268892.db2.gz AHDNSZIETLRSMR-QFBILLFUSA-N 2 1 307.526 2.842 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000346681143 428271107 /nfs/dbraw/zinc/27/11/07/428271107.db2.gz OLABXBZOBFZKDR-QWRGUYRKSA-N 2 1 306.360 2.524 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000346681143 428271112 /nfs/dbraw/zinc/27/11/12/428271112.db2.gz OLABXBZOBFZKDR-QWRGUYRKSA-N 2 1 306.360 2.524 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346679829 428271235 /nfs/dbraw/zinc/27/12/35/428271235.db2.gz MDANZWTZRLIAQE-SFHVURJKSA-N 2 1 300.450 2.986 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+](C)CC[C@H]([NH3+])C(C)C ZINC000346679829 428271240 /nfs/dbraw/zinc/27/12/40/428271240.db2.gz MDANZWTZRLIAQE-SFHVURJKSA-N 2 1 300.450 2.986 20 0 DFADMP COc1cccc(C[N@H+](C)CC(C)(C)C[NH3+])c1OC(F)F ZINC000346684871 428273149 /nfs/dbraw/zinc/27/31/49/428273149.db2.gz RVVUCWYMSMLZLA-UHFFFAOYSA-N 2 1 302.365 2.713 20 0 DFADMP COc1cccc(C[N@@H+](C)CC(C)(C)C[NH3+])c1OC(F)F ZINC000346684871 428273151 /nfs/dbraw/zinc/27/31/51/428273151.db2.gz RVVUCWYMSMLZLA-UHFFFAOYSA-N 2 1 302.365 2.713 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)cn1 ZINC000370690348 428275143 /nfs/dbraw/zinc/27/51/43/428275143.db2.gz MKXIEZFWSOQHOL-HOCLYGCPSA-N 2 1 302.447 2.828 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)cn1 ZINC000370690348 428275148 /nfs/dbraw/zinc/27/51/48/428275148.db2.gz MKXIEZFWSOQHOL-HOCLYGCPSA-N 2 1 302.447 2.828 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)cn1 ZINC000370690347 428275181 /nfs/dbraw/zinc/27/51/81/428275181.db2.gz MKXIEZFWSOQHOL-GOEBONIOSA-N 2 1 302.447 2.828 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)cn1 ZINC000370690347 428275186 /nfs/dbraw/zinc/27/51/86/428275186.db2.gz MKXIEZFWSOQHOL-GOEBONIOSA-N 2 1 302.447 2.828 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])C[C@@H]2C)cc1OCC(C)C ZINC000346693595 428276355 /nfs/dbraw/zinc/27/63/55/428276355.db2.gz OEMUNAWQAVXPOA-HOCLYGCPSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693731 428278168 /nfs/dbraw/zinc/27/81/68/428278168.db2.gz PFHZNTMXSMCIIT-GHMZBOCLSA-N 2 1 306.360 2.524 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1Cc1c[nH]nc1-c1c(F)cccc1F ZINC000346693731 428278171 /nfs/dbraw/zinc/27/81/71/428278171.db2.gz PFHZNTMXSMCIIT-GHMZBOCLSA-N 2 1 306.360 2.524 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](c3nccn3C)C2)cc1 ZINC000370725026 428283515 /nfs/dbraw/zinc/28/35/15/428283515.db2.gz OGVWUCCPWCXRRW-OAHLLOKOSA-N 2 1 312.417 2.547 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000342079070 428292183 /nfs/dbraw/zinc/29/21/83/428292183.db2.gz DGXLUTFSWFKFTM-CWLKWCNXSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1C ZINC000342079070 428292188 /nfs/dbraw/zinc/29/21/88/428292188.db2.gz DGXLUTFSWFKFTM-CWLKWCNXSA-N 2 1 315.461 2.690 20 0 DFADMP COCCOCc1ccc(C[NH2+]C2CC[NH+](C(C)C)CC2)cc1 ZINC000342080857 428295622 /nfs/dbraw/zinc/29/56/22/428295622.db2.gz IBIPHFFWGAZLDM-UHFFFAOYSA-N 2 1 320.477 2.812 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)CCCCCC[NH3+])C1 ZINC000370767477 428296109 /nfs/dbraw/zinc/29/61/09/428296109.db2.gz UGYYJTUKLTXHPO-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnc([C@@H]3CCCO3)s2)C1 ZINC000377839126 428242408 /nfs/dbraw/zinc/24/24/08/428242408.db2.gz GJQQAOGBBKSQRN-IMJJTQAJSA-N 2 1 321.490 2.911 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@@H]2Cc2ccccc2)s1 ZINC000352776621 428242777 /nfs/dbraw/zinc/24/27/77/428242777.db2.gz UAOCZRXXEBDUGP-HOCLYGCPSA-N 2 1 301.459 2.926 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCCNCc2ncc(C[NH+](C)C)s2)C1 ZINC000352774130 428243278 /nfs/dbraw/zinc/24/32/78/428243278.db2.gz VYHPYBQWAHYFJX-HUUCEWRRSA-N 2 1 324.538 2.662 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@@H]2CCC[C@@H]21 ZINC000370586053 428246192 /nfs/dbraw/zinc/24/61/92/428246192.db2.gz ZXPMRUSUPKEFJF-QEJZJMRPSA-N 2 1 309.841 2.576 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ccc(Cl)cn2)[C@H]2CCC[C@@H]21 ZINC000370583275 428246338 /nfs/dbraw/zinc/24/63/38/428246338.db2.gz IVRFQTHUKAYLHF-ILXRZTDVSA-N 2 1 309.841 2.576 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)[C@@H](C)OC ZINC000414270335 428248096 /nfs/dbraw/zinc/24/80/96/428248096.db2.gz PRDDYXHSOGTUSK-PSBWJHGTSA-N 2 1 320.477 2.537 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@H](C)[C@@H](C)OC ZINC000414270335 428248101 /nfs/dbraw/zinc/24/81/01/428248101.db2.gz PRDDYXHSOGTUSK-PSBWJHGTSA-N 2 1 320.477 2.537 20 0 DFADMP COc1cccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1F ZINC000377861893 428248325 /nfs/dbraw/zinc/24/83/25/428248325.db2.gz UHOYCGUEFLLNCT-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1cccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1F ZINC000377861893 428248332 /nfs/dbraw/zinc/24/83/32/428248332.db2.gz UHOYCGUEFLLNCT-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000346631831 428248455 /nfs/dbraw/zinc/24/84/55/428248455.db2.gz COOBTBUGLNGVNG-FUHWJXTLSA-N 2 1 303.494 2.814 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCCC[C@H]2F)[C@@H](C)C1 ZINC000414282316 428250709 /nfs/dbraw/zinc/25/07/09/428250709.db2.gz HLQZBBRHFVJPMF-VVLHAWIVSA-N 2 1 300.462 2.994 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000370608337 428251608 /nfs/dbraw/zinc/25/16/08/428251608.db2.gz KEMGSCOZRQSXQI-AYOQOUSVSA-N 2 1 320.452 2.847 20 0 DFADMP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cc(C)n(C)n2)c1 ZINC000414315001 428256867 /nfs/dbraw/zinc/25/68/67/428256867.db2.gz QYABGHHVUIVUTC-UHFFFAOYSA-N 2 1 300.450 2.860 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000414441304 428298093 /nfs/dbraw/zinc/29/80/93/428298093.db2.gz WFEMDBLKQOUURG-OAHLLOKOSA-N 2 1 316.424 2.703 20 0 DFADMP CC[C@H](C)[N@H+](C)CC[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000370637302 428259987 /nfs/dbraw/zinc/25/99/87/428259987.db2.gz NIZWWWBQZFJVQY-INIZCTEOSA-N 2 1 319.493 2.984 20 0 DFADMP CC[C@H](C)[N@@H+](C)CC[NH2+]C1CCN(c2cccc(OC)c2)CC1 ZINC000370637302 428259991 /nfs/dbraw/zinc/25/99/91/428259991.db2.gz NIZWWWBQZFJVQY-INIZCTEOSA-N 2 1 319.493 2.984 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]Cc1ncc(CN(C)C)s1 ZINC000352814090 428260374 /nfs/dbraw/zinc/26/03/74/428260374.db2.gz KPQMYIWFSFZQTG-HNNXBMFYSA-N 2 1 324.538 2.949 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342114264 428306207 /nfs/dbraw/zinc/30/62/07/428306207.db2.gz CDQOBYUCRXUOLQ-CFVMTHIKSA-N 2 1 316.424 2.755 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342114264 428306208 /nfs/dbraw/zinc/30/62/08/428306208.db2.gz CDQOBYUCRXUOLQ-CFVMTHIKSA-N 2 1 316.424 2.755 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC000342117622 428308820 /nfs/dbraw/zinc/30/88/20/428308820.db2.gz ZAFKWNSGHFMWHR-NILFDRSVSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3csc(-c4ccoc4)n3)C[C@H]21 ZINC000342117622 428308825 /nfs/dbraw/zinc/30/88/25/428308825.db2.gz ZAFKWNSGHFMWHR-NILFDRSVSA-N 2 1 303.431 2.962 20 0 DFADMP [NH3+]CCN(c1ccc2ccccc2n1)[C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000414485310 428316377 /nfs/dbraw/zinc/31/63/77/428316377.db2.gz HWXZEAKLLWVYOU-IRXDYDNUSA-N 2 1 310.445 2.627 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000342131630 428316378 /nfs/dbraw/zinc/31/63/78/428316378.db2.gz NWVXCYMIILFDCD-QGZVFWFLSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@@H]1c1cnn(C)c1 ZINC000342131630 428316383 /nfs/dbraw/zinc/31/63/83/428316383.db2.gz NWVXCYMIILFDCD-QGZVFWFLSA-N 2 1 301.438 2.932 20 0 DFADMP Cc1nc(NC[C@@H]2CC[N@@H+](C)[C@H]2c2cccs2)c(C)c(C)[nH+]1 ZINC000378157844 428321007 /nfs/dbraw/zinc/32/10/07/428321007.db2.gz IUEHXLBNXGZNKL-GOEBONIOSA-N 2 1 316.474 3.568 20 0 DFADMP Cc1nc(NC[C@@H]2CC[N@H+](C)[C@H]2c2cccs2)c(C)c(C)[nH+]1 ZINC000378157844 428321011 /nfs/dbraw/zinc/32/10/11/428321011.db2.gz IUEHXLBNXGZNKL-GOEBONIOSA-N 2 1 316.474 3.568 20 0 DFADMP CCC[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)c1ccc(OC)cc1 ZINC000378167954 428323291 /nfs/dbraw/zinc/32/32/91/428323291.db2.gz YRDSJMMYRHDDBI-NEWSRXKRSA-N 2 1 318.461 2.989 20 0 DFADMP CCC[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)c1ccc(OC)cc1 ZINC000378167954 428323292 /nfs/dbraw/zinc/32/32/92/428323292.db2.gz YRDSJMMYRHDDBI-NEWSRXKRSA-N 2 1 318.461 2.989 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cnc(-c4ccncc4)s3)C[C@@H]21 ZINC000346813355 428327024 /nfs/dbraw/zinc/32/70/24/428327024.db2.gz AVWYNGGVYYWVPB-CWRNSKLLSA-N 2 1 314.458 2.764 20 0 DFADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)s2)o1 ZINC000346816656 428329120 /nfs/dbraw/zinc/32/91/20/428329120.db2.gz DYEYKCGLTMEMAS-FPMFFAJLSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)s2)o1 ZINC000346816656 428329126 /nfs/dbraw/zinc/32/91/26/428329126.db2.gz DYEYKCGLTMEMAS-FPMFFAJLSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346816249 428329246 /nfs/dbraw/zinc/32/92/46/428329246.db2.gz CVZMMSDVJDMHNZ-YSIASYRMSA-N 2 1 324.472 2.717 20 0 DFADMP Cc1cc(Br)ccc1C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346817949 428329744 /nfs/dbraw/zinc/32/97/44/428329744.db2.gz BQJKUDGUHOYWGZ-AEGPPILISA-N 2 1 309.251 2.927 20 0 DFADMP Cc1cc(Br)ccc1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346817949 428329751 /nfs/dbraw/zinc/32/97/51/428329751.db2.gz BQJKUDGUHOYWGZ-AEGPPILISA-N 2 1 309.251 2.927 20 0 DFADMP Cn1cc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(-c2cccs2)n1 ZINC000346824065 428331513 /nfs/dbraw/zinc/33/15/13/428331513.db2.gz KWIOQPTWQGRQHE-QEJZJMRPSA-N 2 1 316.474 2.708 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cnc4ccc(Cl)cn34)C[C@H]21 ZINC000346819900 428332289 /nfs/dbraw/zinc/33/22/89/428332289.db2.gz FSTVTBKOECOXNG-KCPJHIHWSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cnc4ccc(Cl)cn34)C[C@H]21 ZINC000346819900 428332296 /nfs/dbraw/zinc/33/22/96/428332296.db2.gz FSTVTBKOECOXNG-KCPJHIHWSA-N 2 1 304.825 2.547 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3ccc(F)cc3)C[C@H]21 ZINC000346823065 428332802 /nfs/dbraw/zinc/33/28/02/428332802.db2.gz KEERQLXTSXHVIZ-IAOVAPTHSA-N 2 1 314.408 2.775 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)C[C@H]12 ZINC000346826740 428335509 /nfs/dbraw/zinc/33/55/09/428335509.db2.gz MMPUXPOGZYPBQJ-JKIFEVAISA-N 2 1 303.425 2.595 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000378209186 428335553 /nfs/dbraw/zinc/33/55/53/428335553.db2.gz JLOZFPATAAPEBO-GJZGRUSLSA-N 2 1 306.454 2.543 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CC(C)(C)c2cccnc2)s1 ZINC000414553481 428335941 /nfs/dbraw/zinc/33/59/41/428335941.db2.gz FTTBQXBHSASXBZ-UHFFFAOYSA-N 2 1 304.463 2.667 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C2([NH3+])CCCCC2)C1 ZINC000378208484 428336069 /nfs/dbraw/zinc/33/60/69/428336069.db2.gz HAMDHRJYHURREB-HNNXBMFYSA-N 2 1 318.465 2.832 20 0 DFADMP CCc1nocc1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000353023459 428356111 /nfs/dbraw/zinc/35/61/11/428356111.db2.gz XHALSRLBMDYQRC-MRXNPFEDSA-N 2 1 314.433 2.586 20 0 DFADMP CCc1nocc1C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000353023459 428356117 /nfs/dbraw/zinc/35/61/17/428356117.db2.gz XHALSRLBMDYQRC-MRXNPFEDSA-N 2 1 314.433 2.586 20 0 DFADMP CCc1nocc1C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000353023459 428356123 /nfs/dbraw/zinc/35/61/23/428356123.db2.gz XHALSRLBMDYQRC-MRXNPFEDSA-N 2 1 314.433 2.586 20 0 DFADMP CCCOc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1OC ZINC000346837233 428340568 /nfs/dbraw/zinc/34/05/68/428340568.db2.gz PQPZPGKGCUIZRK-XHSDSOJGSA-N 2 1 304.434 2.653 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@H]3C2)cc1OCC ZINC000346851089 428345761 /nfs/dbraw/zinc/34/57/61/428345761.db2.gz QEGJQCABTNCIPE-HRCADAONSA-N 2 1 304.434 2.653 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000360564399 428349762 /nfs/dbraw/zinc/34/97/62/428349762.db2.gz QRWNHFLAJGUVDR-LJQANCHMSA-N 2 1 300.446 3.000 20 0 DFADMP CC(=O)c1c(C)cc(C)c(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1C ZINC000360564399 428349770 /nfs/dbraw/zinc/34/97/70/428349770.db2.gz QRWNHFLAJGUVDR-LJQANCHMSA-N 2 1 300.446 3.000 20 0 DFADMP COc1cc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346863121 428350779 /nfs/dbraw/zinc/35/07/79/428350779.db2.gz XBOCVRQURMTGDE-KCQAQPDRSA-N 2 1 324.852 2.916 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)cc(Cl)c1OC ZINC000346863121 428350783 /nfs/dbraw/zinc/35/07/83/428350783.db2.gz XBOCVRQURMTGDE-KCQAQPDRSA-N 2 1 324.852 2.916 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575543 428354455 /nfs/dbraw/zinc/35/44/55/428354455.db2.gz YXCCFJMIOXEAAF-XLIONFOSSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000360575543 428354459 /nfs/dbraw/zinc/35/44/59/428354459.db2.gz YXCCFJMIOXEAAF-XLIONFOSSA-N 2 1 315.505 2.828 20 0 DFADMP COC(=O)[C@@H]1CC[C@@H](c2ccccc2)[N@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414751211 428393668 /nfs/dbraw/zinc/39/36/68/428393668.db2.gz AAMGUXZLMNCWPH-FZCLSBEQSA-N 2 1 316.445 2.753 20 0 DFADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+](C)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414764716 428398514 /nfs/dbraw/zinc/39/85/14/428398514.db2.gz OUFZBHXEKBYLMW-IXDOHACOSA-N 2 1 317.477 2.526 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CC1 ZINC000414792018 428414172 /nfs/dbraw/zinc/41/41/72/428414172.db2.gz BUVFQRKUMQLYOU-CXAGYDPISA-N 2 1 303.450 2.854 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000360690263 428400297 /nfs/dbraw/zinc/40/02/97/428400297.db2.gz MVWRECGOQNZWQC-CRAIPNDOSA-N 2 1 321.534 2.890 20 0 DFADMP c1cc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)cs1 ZINC000414774624 428400414 /nfs/dbraw/zinc/40/04/14/428400414.db2.gz FMZVKKUSAIMANY-UONOGXRCSA-N 2 1 316.474 2.960 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000357130678 428401695 /nfs/dbraw/zinc/40/16/95/428401695.db2.gz XONDDHBMVGVCBN-QGZVFWFLSA-N 2 1 311.514 2.831 20 0 DFADMP C[C@H](CC[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccccc1 ZINC000414775723 428403054 /nfs/dbraw/zinc/40/30/54/428403054.db2.gz GNGDJFPAYZTOCO-AEFFLSMTSA-N 2 1 302.462 2.868 20 0 DFADMP FC(F)(F)c1ncc(C[N@@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414780787 428405464 /nfs/dbraw/zinc/40/54/64/428405464.db2.gz LYLVIJWFFYXJSH-MNOVXSKESA-N 2 1 319.396 2.983 20 0 DFADMP FC(F)(F)c1ncc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)s1 ZINC000414780787 428405469 /nfs/dbraw/zinc/40/54/69/428405469.db2.gz LYLVIJWFFYXJSH-MNOVXSKESA-N 2 1 319.396 2.983 20 0 DFADMP Brc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)nc1 ZINC000414785734 428406093 /nfs/dbraw/zinc/40/60/93/428406093.db2.gz TVTFQRDGLMIDQU-CHWSQXEVSA-N 2 1 324.266 2.666 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000414781692 428407363 /nfs/dbraw/zinc/40/73/63/428407363.db2.gz NLSRLTDPZAOQRB-HOTGVXAUSA-N 2 1 304.434 2.525 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)c(OC)c1 ZINC000414790103 428414477 /nfs/dbraw/zinc/41/44/77/428414477.db2.gz ZLEDZNBCYRDCIR-LSDHHAIUSA-N 2 1 304.434 2.525 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000414782716 428407813 /nfs/dbraw/zinc/40/78/13/428407813.db2.gz ORYUXMYJLLUXJW-CABCVRRESA-N 2 1 304.482 2.539 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@H](C[NH3+])C1 ZINC000347010256 428408181 /nfs/dbraw/zinc/40/81/81/428408181.db2.gz GFZFJYMANSWLPE-CYBMUJFWSA-N 2 1 304.825 2.615 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000347010256 428408188 /nfs/dbraw/zinc/40/81/88/428408188.db2.gz GFZFJYMANSWLPE-CYBMUJFWSA-N 2 1 304.825 2.615 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC12CCOCC2 ZINC000414788886 428409405 /nfs/dbraw/zinc/40/94/05/428409405.db2.gz XLRWSTIRDPGGDQ-HNNXBMFYSA-N 2 1 310.388 2.812 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347025417 428409735 /nfs/dbraw/zinc/40/97/35/428409735.db2.gz SBNPKNYCQZXWNL-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP CCCCOc1ccc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)cc1OC ZINC000347025417 428409742 /nfs/dbraw/zinc/40/97/42/428409742.db2.gz SBNPKNYCQZXWNL-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP FC(F)(F)c1cccnc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414786827 428410233 /nfs/dbraw/zinc/41/02/33/428410233.db2.gz UYJSNZVJAACAOH-OLZOCXBDSA-N 2 1 313.367 2.922 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414789691 428410490 /nfs/dbraw/zinc/41/04/90/428410490.db2.gz YLXLOYLZSJRCFH-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789761 428410860 /nfs/dbraw/zinc/41/08/60/428410860.db2.gz YWMVEBRSIVIUMJ-IRXDYDNUSA-N 2 1 310.445 2.898 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)Nc1cccc(CC[NH+](C)C2CC2)c1 ZINC000342225782 428357453 /nfs/dbraw/zinc/35/74/53/428357453.db2.gz UVZBNXQYHFYRAL-UHFFFAOYSA-N 2 1 303.450 2.602 20 0 DFADMP CC(C)[NH+](C)CC(=O)Nc1cccc(CC[N@H+](C)C2CC2)c1 ZINC000342225782 428357459 /nfs/dbraw/zinc/35/74/59/428357459.db2.gz UVZBNXQYHFYRAL-UHFFFAOYSA-N 2 1 303.450 2.602 20 0 DFADMP CC(C)[NH+](C)CC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000342225782 428357465 /nfs/dbraw/zinc/35/74/65/428357465.db2.gz UVZBNXQYHFYRAL-UHFFFAOYSA-N 2 1 303.450 2.602 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000356920568 428360133 /nfs/dbraw/zinc/36/01/33/428360133.db2.gz QAAXERWLIZRIKI-BZSNNMDCSA-N 2 1 312.498 2.672 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCCCO2)[C@@H](C)C1 ZINC000356920569 428360417 /nfs/dbraw/zinc/36/04/17/428360417.db2.gz QAAXERWLIZRIKI-KSZLIROESA-N 2 1 312.498 2.672 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689846 428375649 /nfs/dbraw/zinc/37/56/49/428375649.db2.gz LWFPFIMMNXYTOI-NCXUSEDFSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689846 428375657 /nfs/dbraw/zinc/37/56/57/428375657.db2.gz LWFPFIMMNXYTOI-NCXUSEDFSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689846 428375660 /nfs/dbraw/zinc/37/56/60/428375660.db2.gz LWFPFIMMNXYTOI-NCXUSEDFSA-N 3 1 307.526 2.961 20 0 DFADMP COCC[N@@H+](CCCc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414684277 428376945 /nfs/dbraw/zinc/37/69/45/428376945.db2.gz CZPQBJBZGMKMAC-HKUYNNGSSA-N 2 1 304.478 2.956 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@@H]2c2cccc3c2OCCO3)CC[NH2+]1 ZINC000414693707 428378868 /nfs/dbraw/zinc/37/88/68/428378868.db2.gz MXADPNLDBNGLCW-BFYDXBDKSA-N 2 1 316.445 2.983 20 0 DFADMP CC[N@@H+](C[C@@H]1CC[NH2+][C@H](C)C1)[C@@H](COC)Cc1ccccc1 ZINC000414708751 428381324 /nfs/dbraw/zinc/38/13/24/428381324.db2.gz PHBHLDCRFNHCKB-BHIYHBOVSA-N 2 1 304.478 2.954 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1cccc(Br)c1 ZINC000357089984 428381835 /nfs/dbraw/zinc/38/18/35/428381835.db2.gz QKYOARDIDHRMSK-AWEZNQCLSA-N 2 1 313.239 2.561 20 0 DFADMP C[NH2+]CCC[NH2+]Cc1cn(-c2ccccc2)nc1C(C)(C)C ZINC000414860288 428435768 /nfs/dbraw/zinc/43/57/68/428435768.db2.gz PDHCSHPLHSSNCE-UHFFFAOYSA-N 2 1 300.450 2.869 20 0 DFADMP CCC[N@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)C1CC[NH2+]CC1 ZINC000347086930 428438793 /nfs/dbraw/zinc/43/87/93/428438793.db2.gz DEMZTTVSOFYRBW-AWEZNQCLSA-N 2 1 318.461 2.983 20 0 DFADMP CCC[N@@H+](Cc1cc(OC)cc2c1O[C@@H](C)C2)C1CC[NH2+]CC1 ZINC000347086930 428438795 /nfs/dbraw/zinc/43/87/95/428438795.db2.gz DEMZTTVSOFYRBW-AWEZNQCLSA-N 2 1 318.461 2.983 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347090428 428438946 /nfs/dbraw/zinc/43/89/46/428438946.db2.gz GBYXKNZDUXDOOP-STQMWFEESA-N 2 1 304.463 2.708 20 0 DFADMP c1cnn(-c2ccc(C[NH2+]CCC[NH2+]Cc3cccnc3)cc2)c1 ZINC000414878107 428441254 /nfs/dbraw/zinc/44/12/54/428441254.db2.gz NJIUNGWRVRFGEG-UHFFFAOYSA-N 2 1 321.428 2.537 20 0 DFADMP COc1cccc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@@H]3C2)c1OC ZINC000360792451 428441467 /nfs/dbraw/zinc/44/14/67/428441467.db2.gz VSIYAQGMLPYRCC-ZACQAIPSSA-N 2 1 316.445 2.620 20 0 DFADMP CCCCOc1cc(C[N@@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347096126 428442075 /nfs/dbraw/zinc/44/20/75/428442075.db2.gz IYECGPXDGQWTDL-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP CCCCOc1cc(C[N@H+]2CC[C@@H](C[NH2+]C)C2)ccc1OC ZINC000347096126 428442081 /nfs/dbraw/zinc/44/20/81/428442081.db2.gz IYECGPXDGQWTDL-INIZCTEOSA-N 2 1 306.450 2.915 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000357228516 428445766 /nfs/dbraw/zinc/44/57/66/428445766.db2.gz XZDHZEWKLVEKSV-YOEHRIQHSA-N 2 1 323.506 2.589 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000357228516 428445769 /nfs/dbraw/zinc/44/57/69/428445769.db2.gz XZDHZEWKLVEKSV-YOEHRIQHSA-N 2 1 323.506 2.589 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000357228516 428445772 /nfs/dbraw/zinc/44/57/72/428445772.db2.gz XZDHZEWKLVEKSV-YOEHRIQHSA-N 2 1 323.506 2.589 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000357228510 428446752 /nfs/dbraw/zinc/44/67/52/428446752.db2.gz XZDHZEWKLVEKSV-PBHICJAKSA-N 2 1 323.506 2.589 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000357228510 428446759 /nfs/dbraw/zinc/44/67/59/428446759.db2.gz XZDHZEWKLVEKSV-PBHICJAKSA-N 2 1 323.506 2.589 20 0 DFADMP CCC[NH+](C)CC(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000357228510 428446765 /nfs/dbraw/zinc/44/67/65/428446765.db2.gz XZDHZEWKLVEKSV-PBHICJAKSA-N 2 1 323.506 2.589 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc(OCC(F)(F)F)c2)CC[C@H]1[NH3+] ZINC000347108388 428449239 /nfs/dbraw/zinc/44/92/39/428449239.db2.gz MRXPOVGVDUYDIP-SMDDNHRTSA-N 2 1 302.340 2.797 20 0 DFADMP COc1cccc(C[NH2+]CC[C@H]2CCC[NH2+]2)c1OC(F)F ZINC000414899156 428449288 /nfs/dbraw/zinc/44/92/88/428449288.db2.gz CGQVJALCOKSBCJ-GFCCVEGCSA-N 2 1 300.349 2.528 20 0 DFADMP Fc1cc(C[NH2+]CC[C@H]2CCC[NH2+]2)ccc1Br ZINC000414902303 428451798 /nfs/dbraw/zinc/45/17/98/428451798.db2.gz HRQGKSUWRZWCGX-LLVKDONJSA-N 2 1 301.203 2.820 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000353254461 428452072 /nfs/dbraw/zinc/45/20/72/428452072.db2.gz NXBLRCMGZJDDCR-IEZWGBDMSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000353253074 428453116 /nfs/dbraw/zinc/45/31/16/428453116.db2.gz KMWRNDAEMNTGED-HNNXBMFYSA-N 2 1 313.445 2.512 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc3cccnc32)CC1 ZINC000353253074 428453124 /nfs/dbraw/zinc/45/31/24/428453124.db2.gz KMWRNDAEMNTGED-HNNXBMFYSA-N 2 1 313.445 2.512 20 0 DFADMP C[C@H]1[NH2+]CCC[C@H]1NCC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000414953968 428470681 /nfs/dbraw/zinc/47/06/81/428470681.db2.gz MIDJBILHVNLGJD-SJLPKXTDSA-N 2 1 303.494 2.875 20 0 DFADMP COc1sc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000414936281 428463218 /nfs/dbraw/zinc/46/32/18/428463218.db2.gz BOCAKQCFBKRNOQ-LDYMZIIASA-N 2 1 319.268 2.607 20 0 DFADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000414942926 428464824 /nfs/dbraw/zinc/46/48/24/428464824.db2.gz DUCKBAVCGUYBNY-VJAOCGABSA-N 2 1 313.489 2.912 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000347032474 428416208 /nfs/dbraw/zinc/41/62/08/428416208.db2.gz ABMQIHGWSWECEG-CQSZACIVSA-N 2 1 318.852 2.875 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2cn(-c3ccc(Cl)cc3)nc2C)C1 ZINC000347032474 428416211 /nfs/dbraw/zinc/41/62/11/428416211.db2.gz ABMQIHGWSWECEG-CQSZACIVSA-N 2 1 318.852 2.875 20 0 DFADMP c1ccc(N2CCC([NH2+]CC[NH2+]C3CCCCCC3)CC2)nc1 ZINC000414797586 428416881 /nfs/dbraw/zinc/41/68/81/428416881.db2.gz BHIANMLQSDGPTL-UHFFFAOYSA-N 2 1 316.493 2.952 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1csc(-c2ccccn2)n1 ZINC000414806416 428418099 /nfs/dbraw/zinc/41/80/99/428418099.db2.gz QGKJDSLHQHUHPK-JSGCOSHPSA-N 2 1 302.447 2.812 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000414809674 428418324 /nfs/dbraw/zinc/41/83/24/428418324.db2.gz VZHYADMMDFAMIC-UHFFFAOYSA-N 2 1 302.365 2.904 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C1CC1 ZINC000414812026 428418332 /nfs/dbraw/zinc/41/83/32/428418332.db2.gz OYEPEBJHZVMIHE-NHYWBVRUSA-N 2 1 309.841 2.692 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-n2cnc3ccccc32)cc1)C1CC1 ZINC000414806451 428418394 /nfs/dbraw/zinc/41/83/94/428418394.db2.gz QIWITQDIJPZJKA-GOSISDBHSA-N 2 1 306.413 2.852 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H](C[NH3+])C2CC2)cc1Cl ZINC000414812198 428418509 /nfs/dbraw/zinc/41/85/09/428418509.db2.gz XCGNQIKUHWTRGU-NHYWBVRUSA-N 2 1 309.841 2.692 20 0 DFADMP CCOc1cc(C[NH2+][C@H](C[NH3+])C2CC2)ccc1OC(F)F ZINC000414811855 428420107 /nfs/dbraw/zinc/42/01/07/428420107.db2.gz WTVFWFXIGLJXKB-GFCCVEGCSA-N 2 1 300.349 2.514 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045959 428422632 /nfs/dbraw/zinc/42/26/32/428422632.db2.gz GTVPQSVSPMSTRP-NXHRZFHOSA-N 2 1 322.880 2.660 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045959 428422636 /nfs/dbraw/zinc/42/26/36/428422636.db2.gz GTVPQSVSPMSTRP-NXHRZFHOSA-N 2 1 322.880 2.660 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)Cc3cccc(Cl)c3)CC[C@@H]21 ZINC000347045959 428422638 /nfs/dbraw/zinc/42/26/38/428422638.db2.gz GTVPQSVSPMSTRP-NXHRZFHOSA-N 2 1 322.880 2.660 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CC[N@@H+]1Cc1ccccc1 ZINC000414826468 428423775 /nfs/dbraw/zinc/42/37/75/428423775.db2.gz FOAHJJQCWLDWKN-LMMKCTJWSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC[C@H]2CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000414826468 428423778 /nfs/dbraw/zinc/42/37/78/428423778.db2.gz FOAHJJQCWLDWKN-LMMKCTJWSA-N 3 1 301.478 2.629 20 0 DFADMP C[N@@H+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[NH+](C)C1 ZINC000347048031 428424359 /nfs/dbraw/zinc/42/43/59/428424359.db2.gz HRWRFZGNRXRIAQ-WBVHZDCISA-N 2 1 310.869 2.517 20 0 DFADMP C[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[N@H+](C)C1 ZINC000347048031 428424365 /nfs/dbraw/zinc/42/43/65/428424365.db2.gz HRWRFZGNRXRIAQ-WBVHZDCISA-N 2 1 310.869 2.517 20 0 DFADMP C[NH+](C[C@@H](O)Cc1cccc(Cl)c1)C[C@@H]1CCC[N@@H+](C)C1 ZINC000347048031 428424371 /nfs/dbraw/zinc/42/43/71/428424371.db2.gz HRWRFZGNRXRIAQ-WBVHZDCISA-N 2 1 310.869 2.517 20 0 DFADMP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])CC(C)C ZINC000414835781 428426521 /nfs/dbraw/zinc/42/65/21/428426521.db2.gz HUQLEIGGZSDTSW-GDBMZVCRSA-N 2 1 305.466 2.929 20 0 DFADMP Clc1ccc(-n2cc(C[NH2+]C[C@@H]3CCC[NH2+]C3)cn2)cc1 ZINC000414831076 428426637 /nfs/dbraw/zinc/42/66/37/428426637.db2.gz PJAJGZGLTCKDOO-CYBMUJFWSA-N 2 1 304.825 2.615 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(-c2ccc(Cl)cc2)nc1C ZINC000414830650 428427353 /nfs/dbraw/zinc/42/73/53/428427353.db2.gz CFRQILQEFDSUEH-LBPRGKRZSA-N 2 1 306.841 2.779 20 0 DFADMP COCCOc1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cc1 ZINC000414838396 428429282 /nfs/dbraw/zinc/42/92/82/428429282.db2.gz KRORPSDODQLUDA-GOSISDBHSA-N 2 1 306.450 2.709 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000414836679 428430089 /nfs/dbraw/zinc/43/00/89/428430089.db2.gz ITQVVLZVACPMSB-SFHVURJKSA-N 2 1 306.450 2.709 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844037 428430101 /nfs/dbraw/zinc/43/01/01/428430101.db2.gz KKBPXWHLPDVWAX-OCCSQVGLSA-N 2 1 309.841 2.707 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1c1cnn(C)c1C ZINC000360777660 428432589 /nfs/dbraw/zinc/43/25/89/428432589.db2.gz NMRPEHNEZBCATM-QGZVFWFLSA-N 2 1 301.438 2.851 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1c1cnn(C)c1C ZINC000360777660 428432594 /nfs/dbraw/zinc/43/25/94/428432594.db2.gz NMRPEHNEZBCATM-QGZVFWFLSA-N 2 1 301.438 2.851 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccccc1F ZINC000391142004 428479321 /nfs/dbraw/zinc/47/93/21/428479321.db2.gz SIPOOOZTSWAMGL-HOCLYGCPSA-N 2 1 319.424 2.618 20 0 DFADMP FC(F)(F)Oc1ccc(C[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1 ZINC000414992465 428481460 /nfs/dbraw/zinc/48/14/60/428481460.db2.gz BSTBAQYUUAXJIT-LLVKDONJSA-N 2 1 324.293 2.920 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+][C@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000392196588 428481707 /nfs/dbraw/zinc/48/17/07/428481707.db2.gz DGQUMGAMOOATEW-JKSUJKDBSA-N 2 1 323.481 2.674 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1cnc(-c2ccncc2)s1 ZINC000414994395 428482355 /nfs/dbraw/zinc/48/23/55/428482355.db2.gz DLMAHUIIHWMIPU-LBPRGKRZSA-N 2 1 324.400 2.540 20 0 DFADMP CC[C@H]([NH3+])C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414991625 428483333 /nfs/dbraw/zinc/48/33/33/428483333.db2.gz QTNRRGBBMFETCV-ZDUSSCGKSA-N 2 1 312.339 2.922 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H]2Cc3ccccc3N(C)C2)[C@H](C)C1 ZINC000372682034 428487190 /nfs/dbraw/zinc/48/71/90/428487190.db2.gz LJKYGUAIXGHEDX-RYRKJORJSA-N 2 1 301.478 2.615 20 0 DFADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000393922058 428487425 /nfs/dbraw/zinc/48/74/25/428487425.db2.gz AYJNZRQTCFCPLN-LSDHHAIUSA-N 2 1 313.486 2.611 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]C1CCC2(CCOCC2)CC1 ZINC000415006192 428489286 /nfs/dbraw/zinc/48/92/86/428489286.db2.gz SOKAIFCTGFABOD-ZDUSSCGKSA-N 2 1 302.409 2.560 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@@H]3CCCOC3)CC2)C[C@H](C)O1 ZINC000342922423 428489473 /nfs/dbraw/zinc/48/94/73/428489473.db2.gz WHDFEYCMHUOQJQ-SCTDSRPQSA-N 2 1 324.509 2.624 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000353331552 428489983 /nfs/dbraw/zinc/48/99/83/428489983.db2.gz WECITSAFIPSRJY-ZCNNSNEGSA-N 2 1 313.489 2.502 20 0 DFADMP c1sc(C[NH2+]C[C@H]2C[NH2+]CCCO2)cc1-c1ccccc1 ZINC000415033716 428494275 /nfs/dbraw/zinc/49/42/75/428494275.db2.gz HBVFAKZWNZJBAI-MRXNPFEDSA-N 2 1 302.443 2.883 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1 ZINC000415036700 428495054 /nfs/dbraw/zinc/49/50/54/428495054.db2.gz GCNRHWRLTDZIAS-WMZOPIPTSA-N 2 1 301.434 2.609 20 0 DFADMP Cc1ccccc1C[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050590 428501189 /nfs/dbraw/zinc/50/11/89/428501189.db2.gz ISHKULCTPIMRBW-KKXNLOMOSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@@H]1[NH2+]CCC[C@@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000396573878 428501273 /nfs/dbraw/zinc/50/12/73/428501273.db2.gz BOENFCLBRXKJDU-ONSCTEFMSA-N 2 1 313.489 2.627 20 0 DFADMP CCOc1c(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)nn1CC(C)C ZINC000415057842 428502530 /nfs/dbraw/zinc/50/25/30/428502530.db2.gz UOGHXQMZYZZRNB-RDTXWAMCSA-N 2 1 322.497 2.663 20 0 DFADMP CCOc1c(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)c(C)nn1CC(C)C ZINC000415057842 428502534 /nfs/dbraw/zinc/50/25/34/428502534.db2.gz UOGHXQMZYZZRNB-RDTXWAMCSA-N 2 1 322.497 2.663 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058339 428503102 /nfs/dbraw/zinc/50/31/02/428503102.db2.gz VMTDPMRKNIXEDK-ZTFGCOKTSA-N 2 1 308.441 2.690 20 0 DFADMP COCC[C@@H](Cc1cccc(F)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058337 428503312 /nfs/dbraw/zinc/50/33/12/428503312.db2.gz VMTDPMRKNIXEDK-FHLIZLRMSA-N 2 1 308.441 2.690 20 0 DFADMP C[C@H](c1ccc(Cl)c(Cl)c1)[NH+]1CCC(O)(C[NH3+])CC1 ZINC000397070771 428507035 /nfs/dbraw/zinc/50/70/35/428507035.db2.gz LVLYDFAOISQBIV-SNVBAGLBSA-N 2 1 303.233 2.840 20 0 DFADMP Cc1cccc(C)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060726 428507185 /nfs/dbraw/zinc/50/71/85/428507185.db2.gz XJUHJFXYUZCLKA-UHFFFAOYSA-N 2 1 301.478 2.609 20 0 DFADMP COc1cccc(NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)c1 ZINC000415066249 428507844 /nfs/dbraw/zinc/50/78/44/428507844.db2.gz OGFKHZJAIJXMBR-DYVFJYSZSA-N 2 1 319.449 2.519 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415062001 428508027 /nfs/dbraw/zinc/50/80/27/428508027.db2.gz XMPBXMNTIYBSPF-QWQRMKEZSA-N 2 1 304.434 2.653 20 0 DFADMP COc1c(Br)cccc1C[NH2+]CCC[NH2+]C1CC1 ZINC000415072888 428508819 /nfs/dbraw/zinc/50/88/19/428508819.db2.gz XFFFCNRLDHUBRQ-UHFFFAOYSA-N 2 1 313.239 2.689 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@@H](C[NH3+])C1CCCC1 ZINC000415071246 428509309 /nfs/dbraw/zinc/50/93/09/428509309.db2.gz WHMRLTMEROEIEZ-PBHICJAKSA-N 2 1 303.450 2.819 20 0 DFADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396714 428510413 /nfs/dbraw/zinc/51/04/13/428510413.db2.gz LOCKJTDZRNDLKS-MUQADHOPSA-N 2 1 317.477 2.511 20 0 DFADMP C[C@@H](c1ccccc1)N(C)C(=O)C[N@H+]1C[C@@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000397396714 428510414 /nfs/dbraw/zinc/51/04/14/428510414.db2.gz LOCKJTDZRNDLKS-MUQADHOPSA-N 2 1 317.477 2.511 20 0 DFADMP Brc1cccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCC2)c1 ZINC000415074954 428510796 /nfs/dbraw/zinc/51/07/96/428510796.db2.gz DDIOGAZCZVHPMR-AWEZNQCLSA-N 2 1 309.251 2.822 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@H]1CCN(c2ccccc2Cl)C1=O ZINC000415080762 428512492 /nfs/dbraw/zinc/51/24/92/428512492.db2.gz JZPBYQDOVJXBHG-IPYPFGDCSA-N 2 1 321.852 2.566 20 0 DFADMP COc1ccc([C@@H](C[NH2+]CC(C)(C)[NH3+])N2CCCCC2)cc1 ZINC000415085636 428516563 /nfs/dbraw/zinc/51/65/63/428516563.db2.gz QMLKDOPRWBRMCC-QGZVFWFLSA-N 2 1 305.466 2.549 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](CCO[C@@H]1CCCCO1)CC2)C1CC1 ZINC000373118330 428516843 /nfs/dbraw/zinc/51/68/43/428516843.db2.gz QFGURDSYMZFUPI-FUHWJXTLSA-N 2 1 322.493 2.726 20 0 DFADMP Clc1cc(Br)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398337225 428518851 /nfs/dbraw/zinc/51/88/51/428518851.db2.gz BPPDPBVJKKEIML-SECBINFHSA-N 2 1 303.631 2.802 20 0 DFADMP C[C@H]1CN(Cc2ncc(C[NH+](C)C)s2)c2ccccc2C[NH2+]1 ZINC000415104817 428521275 /nfs/dbraw/zinc/52/12/75/428521275.db2.gz RHLAYISYEIIYIK-ZDUSSCGKSA-N 2 1 316.474 2.703 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC(C)(C)c3ccccc3)CC2)C1 ZINC000373213759 428522380 /nfs/dbraw/zinc/52/23/80/428522380.db2.gz AHWYFSGRXJONQS-IBGZPJMESA-N 2 1 315.505 2.676 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)c1ccccc1 ZINC000415113201 428524353 /nfs/dbraw/zinc/52/43/53/428524353.db2.gz WJPZEOZFAHYUEZ-WBVHZDCISA-N 2 1 304.434 2.659 20 0 DFADMP CC(C)[C@H]1OCC[C@@H]1C[NH2+][C@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373206569 428525056 /nfs/dbraw/zinc/52/50/56/428525056.db2.gz NZCTULLHXOHXOO-IEWDOMPSSA-N 2 1 324.509 2.527 20 0 DFADMP CCC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000343155698 428526171 /nfs/dbraw/zinc/52/61/71/428526171.db2.gz WEHKDQLMQIZAGP-CGTJXYLNSA-N 2 1 317.477 2.668 20 0 DFADMP C[C@H]1CC[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000415120886 428526706 /nfs/dbraw/zinc/52/67/06/428526706.db2.gz GMBOPBDQTVQJNV-ZFWWWQNUSA-N 2 1 318.852 2.942 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000415120886 428526711 /nfs/dbraw/zinc/52/67/11/428526711.db2.gz GMBOPBDQTVQJNV-ZFWWWQNUSA-N 2 1 318.852 2.942 20 0 DFADMP CCC[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000343155701 428527816 /nfs/dbraw/zinc/52/78/16/428527816.db2.gz WEHKDQLMQIZAGP-KBAYOESNSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)cc1Cl ZINC000415125511 428528557 /nfs/dbraw/zinc/52/85/57/428528557.db2.gz LIXZLCCBQPZDKD-HNNXBMFYSA-N 2 1 319.840 2.536 20 0 DFADMP CC[C@@H]1CCC[C@H](C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)C1 ZINC000415125491 428528709 /nfs/dbraw/zinc/52/87/09/428528709.db2.gz LHDQSIJLROXIFR-HLLBOEOZSA-N 2 1 305.470 2.590 20 0 DFADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](CCCC3CCCCC3)C2)nn1 ZINC000415124219 428529092 /nfs/dbraw/zinc/52/90/92/428529092.db2.gz JZFFLGMCOWQFKD-KRWDZBQOSA-N 2 1 305.470 2.734 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC[NH2+]1 ZINC000414955106 428473232 /nfs/dbraw/zinc/47/32/32/428473232.db2.gz UAZOILLMQWZPKZ-HNAYVOBHSA-N 2 1 319.468 2.563 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H]2CCC[NH2+][C@@H]2C)c1C ZINC000414956509 428473647 /nfs/dbraw/zinc/47/36/47/428473647.db2.gz PTBXGZRPMUSABN-LXZKKBNFSA-N 2 1 303.450 2.751 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390623792 428474640 /nfs/dbraw/zinc/47/46/40/428474640.db2.gz CRXQRPNIGBONIC-QFMLELGNSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390623792 428474645 /nfs/dbraw/zinc/47/46/45/428474645.db2.gz CRXQRPNIGBONIC-QFMLELGNSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000390623792 428474649 /nfs/dbraw/zinc/47/46/49/428474649.db2.gz CRXQRPNIGBONIC-QFMLELGNSA-N 3 1 313.489 2.770 20 0 DFADMP CC(C)C[C@@H](Cc1cccc(Cl)c1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000414977630 428476736 /nfs/dbraw/zinc/47/67/36/428476736.db2.gz QOCONQFYYXPOEU-ROUUACIJSA-N 2 1 323.912 2.790 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000361619042 428582423 /nfs/dbraw/zinc/58/24/23/428582423.db2.gz FCTZQXFWCOKJER-IYBDPMFKSA-N 2 1 309.498 2.665 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccco1)CCC[NH+]1CCCCC1 ZINC000353541130 428586243 /nfs/dbraw/zinc/58/62/43/428586243.db2.gz HEJBFPSWCMRVQD-UHFFFAOYSA-N 2 1 307.482 2.909 20 0 DFADMP CN(CCC[N@H+](C)CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000353541130 428586248 /nfs/dbraw/zinc/58/62/48/428586248.db2.gz HEJBFPSWCMRVQD-UHFFFAOYSA-N 2 1 307.482 2.909 20 0 DFADMP CN(CCC[N@@H+](C)CCC[NH+]1CCCCC1)Cc1ccco1 ZINC000353541130 428586251 /nfs/dbraw/zinc/58/62/51/428586251.db2.gz HEJBFPSWCMRVQD-UHFFFAOYSA-N 2 1 307.482 2.909 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccco1)CC[C@@H]1CCCC[NH+]1C ZINC000353545151 428586978 /nfs/dbraw/zinc/58/69/78/428586978.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[NH+](C)Cc1ccco1)CC[C@@H]1CCCC[N@@H+]1C ZINC000353545151 428586982 /nfs/dbraw/zinc/58/69/82/428586982.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[NH+](C)Cc1ccco1)CC[C@@H]1CCCC[N@H+]1C ZINC000353545151 428586990 /nfs/dbraw/zinc/58/69/90/428586990.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[N@H+](C)CC[C@@H]1CCCC[NH+]1C)Cc1ccco1 ZINC000353545151 428586995 /nfs/dbraw/zinc/58/69/95/428586995.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[N@@H+](C)CC[C@@H]1CCCC[NH+]1C)Cc1ccco1 ZINC000353545151 428587002 /nfs/dbraw/zinc/58/70/02/428587002.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[NH+](C)CC[C@@H]1CCCC[N@@H+]1C)Cc1ccco1 ZINC000353545151 428587005 /nfs/dbraw/zinc/58/70/05/428587005.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 2 1 307.482 2.908 20 0 DFADMP CN(CCC[NH+](C)CC[C@@H]1CCCC[N@H+]1C)Cc1ccco1 ZINC000353545151 428587008 /nfs/dbraw/zinc/58/70/08/428587008.db2.gz RGGDMLIXGRFUCI-KRWDZBQOSA-N 2 1 307.482 2.908 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000358247853 428591232 /nfs/dbraw/zinc/59/12/32/428591232.db2.gz ILWQBKYNYBCUPM-XIRDDKMYSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccccc2Cl)C1 ZINC000358247853 428591239 /nfs/dbraw/zinc/59/12/39/428591239.db2.gz ILWQBKYNYBCUPM-XIRDDKMYSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)[C@@H]([NH3+])C(C)(C)C)[C@H]1c1cccs1 ZINC000361718245 428591324 /nfs/dbraw/zinc/59/13/24/428591324.db2.gz MEFNSMFZCGSMIG-VHDGCEQUSA-N 2 1 323.506 2.621 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@H]1C[NH3+] ZINC000415128899 428532453 /nfs/dbraw/zinc/53/24/53/428532453.db2.gz OQUHVEVEYUDIKL-GDBMZVCRSA-N 2 1 312.417 2.686 20 0 DFADMP C[C@H](CC[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415130045 428532727 /nfs/dbraw/zinc/53/27/27/428532727.db2.gz PZRRTHVLLRWQQT-QAPCUYQASA-N 2 1 313.449 2.568 20 0 DFADMP [NH3+]Cc1cn([C@H]2CCC[N@@H+](Cc3cccc4ccccc43)C2)nn1 ZINC000415130692 428533222 /nfs/dbraw/zinc/53/32/22/428533222.db2.gz RKDUWHYYOCVETM-SFHVURJKSA-N 2 1 321.428 2.727 20 0 DFADMP Clc1ccsc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415133112 428533336 /nfs/dbraw/zinc/53/33/36/428533336.db2.gz BSRTZPATTLATJY-YPMHNXCESA-N 2 1 312.866 2.602 20 0 DFADMP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353434985 428533617 /nfs/dbraw/zinc/53/36/17/428533617.db2.gz KRRYVAAVSDXTLZ-GUDVDZBRSA-N 3 1 301.478 2.711 20 0 DFADMP CN1CC[C@@H]([NH2+]Cc2ccc(C[NH+](C)C)cc2)[C@H]2CCC[C@H]21 ZINC000353434985 428533621 /nfs/dbraw/zinc/53/36/21/428533621.db2.gz KRRYVAAVSDXTLZ-GUDVDZBRSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353434985 428533626 /nfs/dbraw/zinc/53/36/26/428533626.db2.gz KRRYVAAVSDXTLZ-GUDVDZBRSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353434985 428533629 /nfs/dbraw/zinc/53/36/29/428533629.db2.gz KRRYVAAVSDXTLZ-GUDVDZBRSA-N 2 1 301.478 2.711 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+](C)CCC[NH2+]C)cc1OC ZINC000415139391 428534296 /nfs/dbraw/zinc/53/42/96/428534296.db2.gz WTTKOXDVARFEHF-UHFFFAOYSA-N 2 1 300.830 2.789 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+](C)CCC[NH2+]C)cc1OC ZINC000415139391 428534300 /nfs/dbraw/zinc/53/43/00/428534300.db2.gz WTTKOXDVARFEHF-UHFFFAOYSA-N 2 1 300.830 2.789 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)OCCO2 ZINC000415135363 428534345 /nfs/dbraw/zinc/53/43/45/428534345.db2.gz WPXGNCYGYNBGFF-JSGCOSHPSA-N 2 1 322.474 2.596 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CC[C@H](C)[C@@H](C[NH3+])C1)OCCO2 ZINC000415135363 428534349 /nfs/dbraw/zinc/53/43/49/428534349.db2.gz WPXGNCYGYNBGFF-JSGCOSHPSA-N 2 1 322.474 2.596 20 0 DFADMP Clc1ccc(C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)s1 ZINC000415137401 428534465 /nfs/dbraw/zinc/53/44/65/428534465.db2.gz TXAJVDMVPGMGIU-OLZOCXBDSA-N 2 1 312.866 2.602 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)OCCO2 ZINC000415135366 428534523 /nfs/dbraw/zinc/53/45/23/428534523.db2.gz WPXGNCYGYNBGFF-OCCSQVGLSA-N 2 1 322.474 2.596 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1)OCCO2 ZINC000415135366 428534528 /nfs/dbraw/zinc/53/45/28/428534528.db2.gz WPXGNCYGYNBGFF-OCCSQVGLSA-N 2 1 322.474 2.596 20 0 DFADMP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000415136669 428534701 /nfs/dbraw/zinc/53/47/01/428534701.db2.gz XMRBZTMMJCIIKD-NWDGAFQWSA-N 2 1 320.387 2.772 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C[C@H]1C[NH3+] ZINC000415136669 428534708 /nfs/dbraw/zinc/53/47/08/428534708.db2.gz XMRBZTMMJCIIKD-NWDGAFQWSA-N 2 1 320.387 2.772 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353439349 428537110 /nfs/dbraw/zinc/53/71/10/428537110.db2.gz WRSLWCZLDRNOTQ-HSALFYBXSA-N 2 1 324.472 2.894 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1)c1ccc(=O)[nH]n1 ZINC000353439213 428537662 /nfs/dbraw/zinc/53/76/62/428537662.db2.gz IFWIYRYNNKXWKM-QLFBSQMISA-N 2 1 306.454 2.591 20 0 DFADMP CCN(CCC[N@H+](C)C1CC[NH+](CC)CC1)CC(F)(F)F ZINC000347308159 428538309 /nfs/dbraw/zinc/53/83/09/428538309.db2.gz XYRRKRCCSGYSJF-UHFFFAOYSA-N 2 1 309.420 2.677 20 0 DFADMP CCN(CCC[N@@H+](C)C1CC[NH+](CC)CC1)CC(F)(F)F ZINC000347308159 428538315 /nfs/dbraw/zinc/53/83/15/428538315.db2.gz XYRRKRCCSGYSJF-UHFFFAOYSA-N 2 1 309.420 2.677 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCCN(c3nccs3)CC2)cn1 ZINC000353448653 428541007 /nfs/dbraw/zinc/54/10/07/428541007.db2.gz LKIBDLBTEOYMHB-UHFFFAOYSA-N 2 1 316.474 2.991 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353451520 428541594 /nfs/dbraw/zinc/54/15/94/428541594.db2.gz AEHZIOKUICFJSP-GUDVDZBRSA-N 2 1 318.461 2.674 20 0 DFADMP CC(C)[C@H](C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1)[C@@H](C)[NH3+] ZINC000399696515 428542018 /nfs/dbraw/zinc/54/20/18/428542018.db2.gz ZOWSUWDUBDUISO-JZXOWHBKSA-N 2 1 319.493 2.633 20 0 DFADMP CO[C@H](C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000400156953 428543706 /nfs/dbraw/zinc/54/37/06/428543706.db2.gz FARAHDGFQSSZAQ-SLFFLAALSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000400156953 428543714 /nfs/dbraw/zinc/54/37/14/428543714.db2.gz FARAHDGFQSSZAQ-SLFFLAALSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CC1 ZINC000400156953 428543717 /nfs/dbraw/zinc/54/37/17/428543717.db2.gz FARAHDGFQSSZAQ-SLFFLAALSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@H](NC[C@H]1CCCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400327727 428543751 /nfs/dbraw/zinc/54/37/51/428543751.db2.gz CTKXVWOWMXOVQS-UHOSZYNNSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000400449040 428546415 /nfs/dbraw/zinc/54/64/15/428546415.db2.gz OFKKIHMHFFMLPG-ZBFHGGJFSA-N 2 1 323.481 2.626 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000400548665 428549184 /nfs/dbraw/zinc/54/91/84/428549184.db2.gz MYNLEPWIJCAVJS-WRURNZQNSA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+]CCC[C@@H]2CCOC2)cc1 ZINC000400548665 428549190 /nfs/dbraw/zinc/54/91/90/428549190.db2.gz MYNLEPWIJCAVJS-WRURNZQNSA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000401045806 428551201 /nfs/dbraw/zinc/55/12/01/428551201.db2.gz VRTLFVGTXOZXHA-QWFCFKBJSA-N 3 1 313.489 2.629 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H]2C[C@H]2c2ccccc2)C1 ZINC000361310530 428555399 /nfs/dbraw/zinc/55/53/99/428555399.db2.gz TUZLURCSAPJHPC-QYZOEREBSA-N 2 1 302.462 2.975 20 0 DFADMP CC(C)[N@@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361365038 428558881 /nfs/dbraw/zinc/55/88/81/428558881.db2.gz HPRHTTYTNSWNDR-UKRRQHHQSA-N 2 1 321.431 2.722 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000361365038 428558888 /nfs/dbraw/zinc/55/88/88/428558888.db2.gz HPRHTTYTNSWNDR-UKRRQHHQSA-N 2 1 321.431 2.722 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000402748291 428560520 /nfs/dbraw/zinc/56/05/20/428560520.db2.gz LKOFZUMSVIQYMU-LJQANCHMSA-N 2 1 324.472 2.909 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCc1cnccn1 ZINC000402748291 428560522 /nfs/dbraw/zinc/56/05/22/428560522.db2.gz LKOFZUMSVIQYMU-LJQANCHMSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@H](O)[C@@](C)(C[NH2+][C@H]1CC[N@@H+](C)C[C@H]1C)Cc1ccccc1 ZINC000357794087 428565708 /nfs/dbraw/zinc/56/57/08/428565708.db2.gz DXGBIANAXMKHFW-KCITZHQASA-N 2 1 304.478 2.546 20 0 DFADMP C[C@@H]1CN(C(=O)CC(C)(C)[NH3+])[C@H](C)[C@H](C)[N@H+]1Cc1ccccc1 ZINC000404312084 428566058 /nfs/dbraw/zinc/56/60/58/428566058.db2.gz LYDMWZRGPKOCJW-OWCLPIDISA-N 2 1 317.477 2.624 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCN2CCc3sccc3C2)[C@H]2CCC[C@H]21 ZINC000353501040 428567357 /nfs/dbraw/zinc/56/73/57/428567357.db2.gz HQHBDYYSQVWNPJ-IXDOHACOSA-N 2 1 319.518 2.569 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000353518009 428572634 /nfs/dbraw/zinc/57/26/34/428572634.db2.gz KAUQKPVGJZXJIS-AFYVEPGGSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)[N@H+](C)Cc1ccccc1 ZINC000353518009 428572638 /nfs/dbraw/zinc/57/26/38/428572638.db2.gz KAUQKPVGJZXJIS-AFYVEPGGSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)[N@@H+](C)Cc1ccccc1 ZINC000353518009 428572641 /nfs/dbraw/zinc/57/26/41/428572641.db2.gz KAUQKPVGJZXJIS-AFYVEPGGSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1cn2c(n1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)CCC2 ZINC000353522076 428575001 /nfs/dbraw/zinc/57/50/01/428575001.db2.gz UAWHLLGVVQKFTC-MWDXBVQZSA-N 2 1 302.466 2.531 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@@H]3C1)CC2 ZINC000358018497 428577725 /nfs/dbraw/zinc/57/77/25/428577725.db2.gz AWJMHFUEKGCHGY-IXDOHACOSA-N 2 1 302.466 2.538 20 0 DFADMP CCO[C@@H]1C[N@H+]([C@H](C)c2ccc(OC(F)F)cc2)C[C@H]1C[NH3+] ZINC000405585833 428578076 /nfs/dbraw/zinc/57/80/76/428578076.db2.gz LFZZBWFOROOTHJ-UXIGCNINSA-N 2 1 314.376 2.645 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(OC)c3ccccc23)C[C@H]1C[NH3+] ZINC000405364334 428578596 /nfs/dbraw/zinc/57/85/96/428578596.db2.gz FFOZPBWFKZLMSO-DNVCBOLYSA-N 2 1 314.429 2.644 20 0 DFADMP Cc1ccncc1[C@H](C)[NH2+]Cc1ccncc1OCC[NH+](C)C ZINC000344000192 428604923 /nfs/dbraw/zinc/60/49/23/428604923.db2.gz WFVGDDYCWDIOLY-HNNXBMFYSA-N 2 1 314.433 2.576 20 0 DFADMP Cc1cc(C)n(-c2ccccc2C[NH2+][C@H]2CC[N@H+](C)C[C@H]2C)n1 ZINC000361985354 428608767 /nfs/dbraw/zinc/60/87/67/428608767.db2.gz YJAGOPNRRAPJHQ-KDOFPFPSSA-N 2 1 312.461 2.919 20 0 DFADMP C[C@H](c1ccc(F)cc1F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344041504 428618871 /nfs/dbraw/zinc/61/88/71/428618871.db2.gz VYUHZQNDINCSFN-CQSZACIVSA-N 2 1 313.436 2.841 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000415909311 428622770 /nfs/dbraw/zinc/62/27/70/428622770.db2.gz FPSOWSXZSQDUIC-OAHLLOKOSA-N 2 1 318.465 2.505 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000415924925 428629073 /nfs/dbraw/zinc/62/90/73/428629073.db2.gz ZFWFKYWZYANODR-LSDHHAIUSA-N 2 1 318.465 2.648 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccc(F)cc1 ZINC000353631565 428630830 /nfs/dbraw/zinc/63/08/30/428630830.db2.gz LYBDKPMRRITBNP-BSDSXHPESA-N 2 1 306.425 2.976 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000415931352 428631175 /nfs/dbraw/zinc/63/11/75/428631175.db2.gz KVOPLNSOXIGGPW-IAGOWNOFSA-N 2 1 316.449 2.544 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)[C@@H](C)C1 ZINC000415947648 428633303 /nfs/dbraw/zinc/63/33/03/428633303.db2.gz WYSLSAKGQOGNDB-YOEHRIQHSA-N 2 1 318.465 2.600 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000415938893 428633591 /nfs/dbraw/zinc/63/35/91/428633591.db2.gz BJUKYECIQQRUDA-CQSZACIVSA-N 2 1 306.454 2.648 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)Nc2ccc(C[NH3+])cc2)[C@@H]1c1ccccc1 ZINC000415965257 428637325 /nfs/dbraw/zinc/63/73/25/428637325.db2.gz XTASWUGMLMZVLH-ROUUACIJSA-N 2 1 324.428 2.712 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000353654903 428641499 /nfs/dbraw/zinc/64/14/99/428641499.db2.gz WDJHWFJONXNCFU-IBGZPJMESA-N 2 1 319.493 2.755 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358711934 428635698 /nfs/dbraw/zinc/63/56/98/428635698.db2.gz DSFYQRWAVMORPY-FXAWDEMLSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000358711934 428635705 /nfs/dbraw/zinc/63/57/05/428635705.db2.gz DSFYQRWAVMORPY-FXAWDEMLSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1CC[C@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000373699292 428636233 /nfs/dbraw/zinc/63/62/33/428636233.db2.gz IBANVXDHUBJGFH-MAUKXSAKSA-N 2 1 303.450 2.797 20 0 DFADMP C[C@@H]1CC[C@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000373699291 428636494 /nfs/dbraw/zinc/63/64/94/428636494.db2.gz IBANVXDHUBJGFH-CRAIPNDOSA-N 2 1 303.450 2.797 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000274361853 274133562 /nfs/dbraw/zinc/13/35/62/274133562.db2.gz ILSBSDOJHHUUHS-KEYYUXOJSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000274361853 274133564 /nfs/dbraw/zinc/13/35/64/274133564.db2.gz ILSBSDOJHHUUHS-KEYYUXOJSA-N 2 1 302.418 2.735 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)Nc2ccc3c(c2)C[NH2+]C3)C[C@@H]1C ZINC000416000284 428647488 /nfs/dbraw/zinc/64/74/88/428647488.db2.gz WQZPERYIIFWAAT-SUMWQHHRSA-N 2 1 316.449 2.626 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000362199803 428657040 /nfs/dbraw/zinc/65/70/40/428657040.db2.gz KWOJHJIXLFAVNZ-KFWWJZLASA-N 2 1 307.869 2.991 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCN(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000362199803 428657046 /nfs/dbraw/zinc/65/70/46/428657046.db2.gz KWOJHJIXLFAVNZ-KFWWJZLASA-N 2 1 307.869 2.991 20 0 DFADMP CC(C)C[C@@H](C)N(C)C(=O)C[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374074140 428661768 /nfs/dbraw/zinc/66/17/68/428661768.db2.gz IFDJPMQIPDLWIU-QGZVFWFLSA-N 2 1 323.525 2.687 20 0 DFADMP CC(=O)N1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC12CCCCC2 ZINC000374324522 428673276 /nfs/dbraw/zinc/67/32/76/428673276.db2.gz MQGPSMQYOSWOPE-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP CC(=O)N1CC[NH+](CC[C@H]2CCCC[N@@H+]2C)CC12CCCCC2 ZINC000374324522 428673282 /nfs/dbraw/zinc/67/32/82/428673282.db2.gz MQGPSMQYOSWOPE-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP CC(=O)N1CC[N@@H+](CC[C@H]2CCCC[NH+]2C)CC12CCCCC2 ZINC000374324522 428673288 /nfs/dbraw/zinc/67/32/88/428673288.db2.gz MQGPSMQYOSWOPE-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP CC(=O)N1CC[N@H+](CC[C@H]2CCCC[NH+]2C)CC12CCCCC2 ZINC000374324522 428673293 /nfs/dbraw/zinc/67/32/93/428673293.db2.gz MQGPSMQYOSWOPE-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000353760103 428700794 /nfs/dbraw/zinc/70/07/94/428700794.db2.gz ZDRYXNXTJVGFRN-XHSDSOJGSA-N 2 1 323.868 2.575 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccc(Cl)cc1 ZINC000353760103 428700798 /nfs/dbraw/zinc/70/07/98/428700798.db2.gz ZDRYXNXTJVGFRN-XHSDSOJGSA-N 2 1 323.868 2.575 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@@H]1[NH2+]Cc1cccc(C(N)=O)c1 ZINC000344767259 428703743 /nfs/dbraw/zinc/70/37/43/428703743.db2.gz HTVMJCMOLZSVIN-MSOLQXFVSA-N 2 1 317.477 2.776 20 0 DFADMP Cc1cccc(OC2CC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)n1 ZINC000374664089 428725484 /nfs/dbraw/zinc/72/54/84/428725484.db2.gz NOCPZBVGIASTDV-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1cccc(OC2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)n1 ZINC000374664089 428725489 /nfs/dbraw/zinc/72/54/89/428725489.db2.gz NOCPZBVGIASTDV-INIZCTEOSA-N 2 1 303.450 2.718 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000348383609 428728550 /nfs/dbraw/zinc/72/85/50/428728550.db2.gz DPDBMTQPTKYBLP-WBOJAVRRSA-N 2 1 310.869 2.734 20 0 DFADMP CC[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000348385932 428728931 /nfs/dbraw/zinc/72/89/31/428728931.db2.gz WWVDWFRIFPKNHE-AYOQOUSVSA-N 2 1 302.462 2.922 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@H]1C ZINC000416184248 428686815 /nfs/dbraw/zinc/68/68/15/428686815.db2.gz NIJBSGRSWZGRRI-RYRKJORJSA-N 2 1 317.477 2.621 20 0 DFADMP c1ccc(CN2CCC[C@@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)cc1 ZINC000348277636 428688242 /nfs/dbraw/zinc/68/82/42/428688242.db2.gz SWXNBBHTYNJYPP-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@]3(CC[NH+]([C@H]4CCOC4)C3)C2)cc1 ZINC000348277636 428688248 /nfs/dbraw/zinc/68/82/48/428688248.db2.gz SWXNBBHTYNJYPP-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP c1ccc(C[NH+]2CCC[C@@]3(CC[N@H+]([C@H]4CCOC4)C3)C2)cc1 ZINC000348277636 428688264 /nfs/dbraw/zinc/68/82/64/428688264.db2.gz SWXNBBHTYNJYPP-RBUKOAKNSA-N 2 1 300.446 2.763 20 0 DFADMP Cc1nccn1CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000348276325 428689350 /nfs/dbraw/zinc/68/93/50/428689350.db2.gz YKQRBUUPWGXMMJ-UHFFFAOYSA-N 2 1 318.396 2.600 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1ccc(C)cc1F ZINC000348276325 428689357 /nfs/dbraw/zinc/68/93/57/428689357.db2.gz YKQRBUUPWGXMMJ-UHFFFAOYSA-N 2 1 318.396 2.600 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000353749791 428691823 /nfs/dbraw/zinc/69/18/23/428691823.db2.gz MLQRGCZECRRLGM-YOEHRIQHSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000353749791 428691833 /nfs/dbraw/zinc/69/18/33/428691833.db2.gz MLQRGCZECRRLGM-YOEHRIQHSA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(C(=O)OC)cc2)C[C@@H]1C ZINC000353749791 428691839 /nfs/dbraw/zinc/69/18/39/428691839.db2.gz MLQRGCZECRRLGM-YOEHRIQHSA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000353749211 428693885 /nfs/dbraw/zinc/69/38/85/428693885.db2.gz UYYRFLHCMXWXOR-GOEBONIOSA-N 2 1 304.434 2.762 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000353749211 428693890 /nfs/dbraw/zinc/69/38/90/428693890.db2.gz UYYRFLHCMXWXOR-GOEBONIOSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000353749211 428693894 /nfs/dbraw/zinc/69/38/94/428693894.db2.gz UYYRFLHCMXWXOR-GOEBONIOSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000353749211 428693898 /nfs/dbraw/zinc/69/38/98/428693898.db2.gz UYYRFLHCMXWXOR-GOEBONIOSA-N 2 1 304.434 2.762 20 0 DFADMP C[C@@H]1C[N@@H+](C)CCN1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411258746 428767604 /nfs/dbraw/zinc/76/76/04/428767604.db2.gz MGHITEHKYCIKTE-QGZVFWFLSA-N 2 1 301.478 2.808 20 0 DFADMP CCCNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000411286892 428773754 /nfs/dbraw/zinc/77/37/54/428773754.db2.gz YGRKLJARFDILJZ-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000411286892 428773762 /nfs/dbraw/zinc/77/37/62/428773762.db2.gz YGRKLJARFDILJZ-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CCCNC(=O)CCC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000411286892 428773769 /nfs/dbraw/zinc/77/37/69/428773769.db2.gz YGRKLJARFDILJZ-ROUUACIJSA-N 2 1 323.525 2.879 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C)n2)[C@H](C)C1 ZINC000359018770 428775228 /nfs/dbraw/zinc/77/52/28/428775228.db2.gz YZPOWTDHMRXMJV-VQIMIIECSA-N 2 1 319.493 2.659 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000411399779 428790736 /nfs/dbraw/zinc/79/07/36/428790736.db2.gz MGJRCYKNWDEOTK-OAHLLOKOSA-N 2 1 314.433 2.565 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(C)c1ccccc1 ZINC000411399779 428790739 /nfs/dbraw/zinc/79/07/39/428790739.db2.gz MGJRCYKNWDEOTK-OAHLLOKOSA-N 2 1 314.433 2.565 20 0 DFADMP CN(CC[N@@H+](C)[C@@H]1C[C@H]1c1cccc(F)c1)C1CC[NH+](C)CC1 ZINC000411407315 428792190 /nfs/dbraw/zinc/79/21/90/428792190.db2.gz IPNTUYGNGOTQKC-RBUKOAKNSA-N 2 1 319.468 2.639 20 0 DFADMP C[C@H]1CN(CC[NH+]2CCCCC2)CC[N@H+]1Cc1ccccc1 ZINC000411118082 428743736 /nfs/dbraw/zinc/74/37/36/428743736.db2.gz NBTDVJFAAVFIPJ-SFHVURJKSA-N 2 1 301.478 2.679 20 0 DFADMP OC[C@H]1CCC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411145615 428744462 /nfs/dbraw/zinc/74/44/62/428744462.db2.gz CMCYOVKBBQPKRW-IBGZPJMESA-N 2 1 302.462 2.877 20 0 DFADMP C[C@H]([NH2+][C@@H](CO)CC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348443526 428745771 /nfs/dbraw/zinc/74/57/71/428745771.db2.gz XNUXENYAVZGKSU-NUEKZKHPSA-N 2 1 312.404 2.503 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[NH+](CC2CC2)CC1 ZINC000358949016 428745855 /nfs/dbraw/zinc/74/58/55/428745855.db2.gz KAELGUFKVPNDAB-UHFFFAOYSA-N 2 1 315.392 2.915 20 0 DFADMP CC[C@@H]1C[NH+](CC[C@@H](C)CC[N@H+]2CCO[C@@H](CC)C2)CCO1 ZINC000411162155 428750696 /nfs/dbraw/zinc/75/06/96/428750696.db2.gz GKKWYWYECUNNTF-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@@H]1C[N@H+](CC[C@@H](C)CC[NH+]2CCO[C@@H](CC)C2)CCO1 ZINC000411162155 428750702 /nfs/dbraw/zinc/75/07/02/428750702.db2.gz GKKWYWYECUNNTF-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CC[C@@H]1C[N@@H+](CC[C@@H](C)CC[NH+]2CCO[C@@H](CC)C2)CCO1 ZINC000411162155 428750706 /nfs/dbraw/zinc/75/07/06/428750706.db2.gz GKKWYWYECUNNTF-NNZMDNLPSA-N 2 1 312.498 2.624 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC000345198836 428796996 /nfs/dbraw/zinc/79/69/96/428796996.db2.gz BGEHPKYAUZARKO-SJORKVTESA-N 2 1 311.514 2.878 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@@H]1O ZINC000411438917 428798057 /nfs/dbraw/zinc/79/80/57/428798057.db2.gz CYNYWVRFNRZODA-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP O[C@@H]1CC[C@H]2C[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)C[C@H]12 ZINC000411499585 428805634 /nfs/dbraw/zinc/80/56/34/428805634.db2.gz DERRIAIANLXDQK-SLFFLAALSA-N 2 1 314.473 2.875 20 0 DFADMP Cc1[nH+]ccn1-c1cccc(NC[C@H](c2ccccc2)[NH+](C)C)n1 ZINC000362806849 428807295 /nfs/dbraw/zinc/80/72/95/428807295.db2.gz OYNDODISYODYCE-QGZVFWFLSA-N 2 1 321.428 3.291 20 0 DFADMP CCCNC(=O)CCC[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411518628 428810651 /nfs/dbraw/zinc/81/06/51/428810651.db2.gz PVVSJTFJHNAMLV-CVEARBPZSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@H]([NH2+]CCC(=O)OC(C)(C)C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000411515677 428811906 /nfs/dbraw/zinc/81/19/06/428811906.db2.gz IGFCAYXGLBPHAQ-GJZGRUSLSA-N 2 1 310.482 2.961 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC000345251381 428816450 /nfs/dbraw/zinc/81/64/50/428816450.db2.gz QCGMRXPXLHLTJQ-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000345251381 428816454 /nfs/dbraw/zinc/81/64/54/428816454.db2.gz QCGMRXPXLHLTJQ-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP CCCC[NH+]1CCCC[C@H]1CNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000345251381 428816457 /nfs/dbraw/zinc/81/64/57/428816457.db2.gz QCGMRXPXLHLTJQ-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC[C@@H]1O ZINC000411568504 428818396 /nfs/dbraw/zinc/81/83/96/428818396.db2.gz LBKIJANSAYASSG-APWZRJJASA-N 2 1 302.462 2.875 20 0 DFADMP O[C@H]1CCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000345259369 428818824 /nfs/dbraw/zinc/81/88/24/428818824.db2.gz SXMZPGOSPFRUNI-NWJVMNJYSA-N 2 1 314.473 2.933 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)o1 ZINC000354032796 428833446 /nfs/dbraw/zinc/83/34/46/428833446.db2.gz DVSRSOGVZTXXRQ-UHFFFAOYSA-N 2 1 319.493 2.832 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000345500169 428910640 /nfs/dbraw/zinc/91/06/40/428910640.db2.gz CYYAFWAZVPNJCJ-HZPDHXFCSA-N 2 1 320.481 2.776 20 0 DFADMP c1cc2c(cc1[C@@H]1CCC[N@@H+]1CCC1CC[NH2+]CC1)OCCO2 ZINC000359213036 428866877 /nfs/dbraw/zinc/86/68/77/428866877.db2.gz OIPCYMJLXRSEIY-KRWDZBQOSA-N 2 1 316.445 2.984 20 0 DFADMP Cn1ccc([C@@H](NCCCn2ccnc2)c2ccc(F)cc2)n1 ZINC000359221546 428871735 /nfs/dbraw/zinc/87/17/35/428871735.db2.gz QWENFADPJVSWPU-KRWDZBQOSA-N 2 1 313.380 2.525 20 0 DFADMP CCOC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354135689 428880779 /nfs/dbraw/zinc/88/07/79/428880779.db2.gz ZNOKUIIFDQLUJC-XWTMOSNGSA-N 2 1 312.498 2.671 20 0 DFADMP CCn1cncc1C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000418133846 428885191 /nfs/dbraw/zinc/88/51/91/428885191.db2.gz GLZGROBVIAXNGC-OAHLLOKOSA-N 2 1 313.449 2.815 20 0 DFADMP CCN(CC)C(=O)CNC[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375449627 428886833 /nfs/dbraw/zinc/88/68/33/428886833.db2.gz RHLATOHBRCAOMK-IEBWSBKVSA-N 2 1 317.477 2.528 20 0 DFADMP CCN(CC)C(=O)C[NH2+]C[C@H]1CCC[N@H+](C)[C@@H]1c1ccccc1 ZINC000375449627 428886837 /nfs/dbraw/zinc/88/68/37/428886837.db2.gz RHLATOHBRCAOMK-IEBWSBKVSA-N 2 1 317.477 2.528 20 0 DFADMP CCN(CC)C(=O)C[NH2+]C[C@H]1CCC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000375449627 428886843 /nfs/dbraw/zinc/88/68/43/428886843.db2.gz RHLATOHBRCAOMK-IEBWSBKVSA-N 2 1 317.477 2.528 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000375487535 428896661 /nfs/dbraw/zinc/89/66/61/428896661.db2.gz QVPSVNZOGWDEJQ-RCCFBDPRSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@@]1(C)O ZINC000375487535 428896666 /nfs/dbraw/zinc/89/66/66/428896666.db2.gz QVPSVNZOGWDEJQ-RCCFBDPRSA-N 2 1 305.466 2.987 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+][C@H]2CCCC[C@@H]2O)[C@H]1c1ccccc1 ZINC000375482217 428897880 /nfs/dbraw/zinc/89/78/80/428897880.db2.gz MXSLVEJEOQJMOF-YDZRNGNQSA-N 2 1 302.462 2.963 20 0 DFADMP CN(CC[N@@H+](C)C[C@H]1C[C@@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000349034679 428904552 /nfs/dbraw/zinc/90/45/52/428904552.db2.gz FCOHKGKIJWVMFQ-UYAOXDASSA-N 2 1 315.505 2.748 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1sc(C)nc1C ZINC000349035659 428904942 /nfs/dbraw/zinc/90/49/42/428904942.db2.gz LAHBTLMLJYHXNE-INIZCTEOSA-N 2 1 324.538 2.608 20 0 DFADMP COc1cc(C)[nH+]c(CN(CC[NH+](C)C)Cc2ccc(C)o2)c1 ZINC000349074376 428913838 /nfs/dbraw/zinc/91/38/38/428913838.db2.gz MPFSAMVEVKTBBQ-UHFFFAOYSA-N 2 1 317.433 2.864 20 0 DFADMP CN(CC[N@@H+](C)C/C=C\c1ccc(F)cc1)C1CC[NH+](C)CC1 ZINC000349081752 428916662 /nfs/dbraw/zinc/91/66/62/428916662.db2.gz VTWIROAUKPUADF-PLNGDYQASA-N 2 1 319.468 2.797 20 0 DFADMP C[C@@H](CCO)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354209494 428917860 /nfs/dbraw/zinc/91/78/60/428917860.db2.gz AMLOFAQGUZGXGR-UXDRXVOSSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1nc(C)n([C@@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000363459060 428918652 /nfs/dbraw/zinc/91/86/52/428918652.db2.gz GILDEHZJAKBROG-QGZVFWFLSA-N 2 1 316.453 2.517 20 0 DFADMP Cc1nc(C)n([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)n1 ZINC000363459060 428918657 /nfs/dbraw/zinc/91/86/57/428918657.db2.gz GILDEHZJAKBROG-QGZVFWFLSA-N 2 1 316.453 2.517 20 0 DFADMP COc1ccc([C@@H](O)[C@@H]2CCC[N@H+]2CCC[NH+]2CCCC2)cc1 ZINC000363458699 428919809 /nfs/dbraw/zinc/91/98/09/428919809.db2.gz ACZWXJRZPHURQK-RBUKOAKNSA-N 2 1 318.461 2.679 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000363460088 428920148 /nfs/dbraw/zinc/92/01/48/428920148.db2.gz WPNDWIWCQVMUHQ-MRXNPFEDSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H](c2ccnn2C)C1 ZINC000363460088 428920154 /nfs/dbraw/zinc/92/01/54/428920154.db2.gz WPNDWIWCQVMUHQ-MRXNPFEDSA-N 2 1 301.438 2.585 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000363456581 428920674 /nfs/dbraw/zinc/92/06/74/428920674.db2.gz NMOLSPJGXBGXBG-SFHVURJKSA-N 2 1 314.433 2.658 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](OCc2ccncc2)C1 ZINC000363456581 428920679 /nfs/dbraw/zinc/92/06/79/428920679.db2.gz NMOLSPJGXBGXBG-SFHVURJKSA-N 2 1 314.433 2.658 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222009 428924355 /nfs/dbraw/zinc/92/43/55/428924355.db2.gz IGHKKKFCAOQOOX-WMLDXEAASA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222009 428924358 /nfs/dbraw/zinc/92/43/58/428924358.db2.gz IGHKKKFCAOQOOX-WMLDXEAASA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)C[C@@H]1C ZINC000354222009 428924365 /nfs/dbraw/zinc/92/43/65/428924365.db2.gz IGHKKKFCAOQOOX-WMLDXEAASA-N 2 1 321.440 2.959 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)N(C)CC2CCCCC2)C[C@H]1C ZINC000354224552 428925616 /nfs/dbraw/zinc/92/56/16/428925616.db2.gz RWOAOUFJFZVEOR-SJLPKXTDSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2ccc(F)cc2C(=O)OC)C[C@@H]1C ZINC000354226240 428926701 /nfs/dbraw/zinc/92/67/01/428926701.db2.gz VTNFGSCTEOHVGC-XJKSGUPXSA-N 2 1 322.424 2.917 20 0 DFADMP Cc1ccn2c(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cnc2c1 ZINC000349183358 428934259 /nfs/dbraw/zinc/93/42/59/428934259.db2.gz GNXNEFZMAXVRSY-QGZVFWFLSA-N 2 1 312.461 2.806 20 0 DFADMP CC1(C)[C@@H]([NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000375661061 428936393 /nfs/dbraw/zinc/93/63/93/428936393.db2.gz BBKUNBMCHOLJCA-XWSJACJDSA-N 2 1 314.473 2.912 20 0 DFADMP Cc1cc(N2CCC[N@@H+](CCN(C)C)CC2)c2ccccc2[nH+]1 ZINC000363535746 428937984 /nfs/dbraw/zinc/93/79/84/428937984.db2.gz KDJODFVNROGKLS-UHFFFAOYSA-N 2 1 312.461 2.617 20 0 DFADMP Cc1cc(N2CCC[N@H+](CCN(C)C)CC2)c2ccccc2[nH+]1 ZINC000363535746 428937990 /nfs/dbraw/zinc/93/79/90/428937990.db2.gz KDJODFVNROGKLS-UHFFFAOYSA-N 2 1 312.461 2.617 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354251050 428939405 /nfs/dbraw/zinc/93/94/05/428939405.db2.gz BTYHMKOHNSWNEA-SJORKVTESA-N 2 1 309.498 2.534 20 0 DFADMP Cc1cc([C@H]([NH2+]C[C@@H](O)C[NH+]2CCCC2)C2CC2)ccc1F ZINC000359376087 428945304 /nfs/dbraw/zinc/94/53/04/428945304.db2.gz UCJNQIDNTGTPIT-SJLPKXTDSA-N 2 1 306.425 2.632 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000363616736 428956309 /nfs/dbraw/zinc/95/63/09/428956309.db2.gz OAMOASINSUXJAZ-IAGOWNOFSA-N 2 1 314.408 2.932 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000363616736 428956314 /nfs/dbraw/zinc/95/63/14/428956314.db2.gz OAMOASINSUXJAZ-IAGOWNOFSA-N 2 1 314.408 2.932 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCOC[C@H]3C)sc2C1 ZINC000375750736 428961013 /nfs/dbraw/zinc/96/10/13/428961013.db2.gz NYIXFGTYTLUIEO-ZIAGYGMSSA-N 2 1 323.506 2.672 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCOC[C@H]3C)sc2C1 ZINC000375750736 428961015 /nfs/dbraw/zinc/96/10/15/428961015.db2.gz NYIXFGTYTLUIEO-ZIAGYGMSSA-N 2 1 323.506 2.672 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C3(CCO)CCCC3)sc2C1 ZINC000375768191 428964927 /nfs/dbraw/zinc/96/49/27/428964927.db2.gz MFNZXVLMEOGRDY-UHFFFAOYSA-N 2 1 323.506 2.694 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C3(CCO)CCCC3)sc2C1 ZINC000375768191 428964932 /nfs/dbraw/zinc/96/49/32/428964932.db2.gz MFNZXVLMEOGRDY-UHFFFAOYSA-N 2 1 323.506 2.694 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000375763218 428966778 /nfs/dbraw/zinc/96/67/78/428966778.db2.gz JFRMJNKNPVLZEU-INIZCTEOSA-N 2 1 321.428 2.790 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000375769156 428967520 /nfs/dbraw/zinc/96/75/20/428967520.db2.gz PNGQQEIMNDPKSC-WMZOPIPTSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000375769156 428967526 /nfs/dbraw/zinc/96/75/26/428967526.db2.gz PNGQQEIMNDPKSC-WMZOPIPTSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2ccc(CO)cc2)n1 ZINC000375774831 428968920 /nfs/dbraw/zinc/96/89/20/428968920.db2.gz CGYTVXSWUDKWLX-SFHVURJKSA-N 2 1 311.429 2.959 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000423541634 428969011 /nfs/dbraw/zinc/96/90/11/428969011.db2.gz FRONWDPSSIJYCW-UJMXGEILSA-N 3 1 313.489 2.800 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C[C@@H]1c1ccccc1 ZINC000423541634 428969015 /nfs/dbraw/zinc/96/90/15/428969015.db2.gz FRONWDPSSIJYCW-UJMXGEILSA-N 3 1 313.489 2.800 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@H+](C(C)C)C2)[C@H]1C ZINC000354327359 428970113 /nfs/dbraw/zinc/97/01/13/428970113.db2.gz GUTGRZGKNMFCRG-YVSFHVDLSA-N 2 1 310.482 2.674 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+]C1(Cc2ccccc2)CCOCC1 ZINC000451934742 429020590 /nfs/dbraw/zinc/02/05/90/429020590.db2.gz DQNSIPKOZTYCOK-GOSISDBHSA-N 2 1 302.462 2.852 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000433359692 429028323 /nfs/dbraw/zinc/02/83/23/429028323.db2.gz CWFAXQRUFSYDMT-KBAYOESNSA-N 2 1 321.509 2.773 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000433376661 429030256 /nfs/dbraw/zinc/03/02/56/429030256.db2.gz JXSRCANCDIHOFD-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]CCC[N@H+]2CCCO[C@H](C)C2)CS1 ZINC000433025211 428981313 /nfs/dbraw/zinc/98/13/13/428981313.db2.gz IXJIQIYCNQHHCQ-BZUAXINKSA-N 2 1 300.512 2.607 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cc2c(c(OC)c1)OCO2 ZINC000349402946 428982745 /nfs/dbraw/zinc/98/27/45/428982745.db2.gz ANROCXNXCKJZIT-UHFFFAOYSA-N 2 1 320.433 2.732 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cc2c(c(OC)c1)OCO2 ZINC000349402946 428982751 /nfs/dbraw/zinc/98/27/51/428982751.db2.gz ANROCXNXCKJZIT-UHFFFAOYSA-N 2 1 320.433 2.732 20 0 DFADMP CC[C@H](C(=O)NC[C@@H]1CCC[C@H]([NH3+])C1)[N@@H+](C)Cc1ccccc1 ZINC000423673713 428992239 /nfs/dbraw/zinc/99/22/39/428992239.db2.gz AFZBMKXEGICFSL-FGTMMUONSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1ncccc1O[C@H]1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000375986176 429034219 /nfs/dbraw/zinc/03/42/19/429034219.db2.gz PGOWYDUZPCSRIN-IRXDYDNUSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@H]1CC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000375986176 429034223 /nfs/dbraw/zinc/03/42/23/429034223.db2.gz PGOWYDUZPCSRIN-IRXDYDNUSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@H]1CC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000375986176 429034225 /nfs/dbraw/zinc/03/42/25/429034225.db2.gz PGOWYDUZPCSRIN-IRXDYDNUSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ncccc1O[C@H]1CC[N@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000375986176 429034230 /nfs/dbraw/zinc/03/42/30/429034230.db2.gz PGOWYDUZPCSRIN-IRXDYDNUSA-N 2 1 303.450 2.718 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000423724603 429005127 /nfs/dbraw/zinc/00/51/27/429005127.db2.gz HBPZGBHROYGWHL-MHORFTMASA-N 2 1 321.509 2.630 20 0 DFADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000433231945 429013165 /nfs/dbraw/zinc/01/31/65/429013165.db2.gz ZJSOEZXPMWTYQU-FGTMMUONSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000433231945 429013171 /nfs/dbraw/zinc/01/31/71/429013171.db2.gz ZJSOEZXPMWTYQU-FGTMMUONSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000433231945 429013175 /nfs/dbraw/zinc/01/31/75/429013175.db2.gz ZJSOEZXPMWTYQU-FGTMMUONSA-N 2 1 319.493 2.527 20 0 DFADMP CCCCOCC[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000434497148 429091266 /nfs/dbraw/zinc/09/12/66/429091266.db2.gz CGSMARMZUMLJLX-SFHVURJKSA-N 2 1 305.466 2.652 20 0 DFADMP COC[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1cccc(Cl)c1 ZINC000423480698 429094871 /nfs/dbraw/zinc/09/48/71/429094871.db2.gz PMYTVGIAPSOXGK-JSGCOSHPSA-N 2 1 318.795 2.862 20 0 DFADMP CCc1nc2c(s1)[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423481103 429095284 /nfs/dbraw/zinc/09/52/84/429095284.db2.gz PSQCIVVPLXCNFC-WDEREUQCSA-N 2 1 315.433 2.917 20 0 DFADMP [NH3+][C@H](CCC(=O)N[C@@H]1CC[N@H+]2CCC[C@H]2C1)CC1CCCCC1 ZINC000424131288 429095665 /nfs/dbraw/zinc/09/56/65/429095665.db2.gz JBSGORHNLDKCCU-KURKYZTESA-N 2 1 321.509 2.807 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccncc1Cl ZINC000421838282 429038123 /nfs/dbraw/zinc/03/81/23/429038123.db2.gz VFFKWOBFSXLQLX-KGLIPLIRSA-N 2 1 311.857 2.623 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccncc1Cl ZINC000421838284 429038226 /nfs/dbraw/zinc/03/82/26/429038226.db2.gz VFFKWOBFSXLQLX-ZIAGYGMSSA-N 2 1 311.857 2.623 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCC[NH2+]CC2)CC1 ZINC000376335602 429096480 /nfs/dbraw/zinc/09/64/80/429096480.db2.gz KOPBPPWJCSQYFW-KRWDZBQOSA-N 2 1 323.525 2.737 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@H](c2cccc(Cl)c2)C1 ZINC000423484731 429096459 /nfs/dbraw/zinc/09/64/59/429096459.db2.gz AIUJTWAVXSFULZ-RYQLBKOJSA-N 2 1 321.896 2.859 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]([NH3+])C(C)C)c2ccccc21 ZINC000423283756 429055600 /nfs/dbraw/zinc/05/56/00/429055600.db2.gz XNBVXJHIAAPEOS-IKGGRYGDSA-N 2 1 304.434 2.741 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423293711 429057955 /nfs/dbraw/zinc/05/79/55/429057955.db2.gz AOQNWJSDKGPHAS-MSOLQXFVSA-N 2 1 315.465 2.825 20 0 DFADMP CC(C)([NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423287398 429058440 /nfs/dbraw/zinc/05/84/40/429058440.db2.gz MAJPPCWJQPCARF-RCCFBDPRSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423310604 429060802 /nfs/dbraw/zinc/06/08/02/429060802.db2.gz SBVHDTIWHZXPRN-LULLPPNCSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423310604 429060806 /nfs/dbraw/zinc/06/08/06/429060806.db2.gz SBVHDTIWHZXPRN-LULLPPNCSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423310604 429060809 /nfs/dbraw/zinc/06/08/09/429060809.db2.gz SBVHDTIWHZXPRN-LULLPPNCSA-N 3 1 301.478 2.614 20 0 DFADMP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]([NH3+])C2CC2)cc1 ZINC000423311067 429060986 /nfs/dbraw/zinc/06/09/86/429060986.db2.gz BHIHDBRSGSIOQL-MOPGFXCFSA-N 2 1 311.429 2.701 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]([NH3+])C2CC2)cc1Br ZINC000423316699 429062970 /nfs/dbraw/zinc/06/29/70/429062970.db2.gz JZHJMYDORJOLCB-NOZJJQNGSA-N 2 1 313.239 2.846 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323551 429065311 /nfs/dbraw/zinc/06/53/11/429065311.db2.gz ICFOXDROZKKVKV-PKOBYXMFSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323551 429065315 /nfs/dbraw/zinc/06/53/15/429065315.db2.gz ICFOXDROZKKVKV-PKOBYXMFSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@]1(C)CCC[NH2+]C1 ZINC000423338713 429068188 /nfs/dbraw/zinc/06/81/88/429068188.db2.gz UUVLQRLHCXSKPM-RLLQIKCJSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338713 429068196 /nfs/dbraw/zinc/06/81/96/429068196.db2.gz UUVLQRLHCXSKPM-RLLQIKCJSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338713 429068213 /nfs/dbraw/zinc/06/82/13/429068213.db2.gz UUVLQRLHCXSKPM-RLLQIKCJSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000423338713 429068217 /nfs/dbraw/zinc/06/82/17/429068217.db2.gz UUVLQRLHCXSKPM-RLLQIKCJSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H](C[NH3+])N[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423331993 429068826 /nfs/dbraw/zinc/06/88/26/429068826.db2.gz QPVIQIMSMBVGLR-QXCFHYIPSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@]1(C[NH2+][C@H](Cc2ccccn2)c2cccnc2)CCC[NH2+]C1 ZINC000423345116 429070754 /nfs/dbraw/zinc/07/07/54/429070754.db2.gz OSXNZYPUQHOUOO-MOPGFXCFSA-N 2 1 310.445 2.740 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[NH2+]CC[C@H]1c1ccc(F)c(F)c1)[C@H]1CCCOC1 ZINC000423369276 429074262 /nfs/dbraw/zinc/07/42/62/429074262.db2.gz OASCIALIURPWCI-ADOMEBDSSA-N 2 1 324.415 2.815 20 0 DFADMP CC[NH2+][C@H](C)CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423383296 429076555 /nfs/dbraw/zinc/07/65/55/429076555.db2.gz OZBGHTQZHNEJNQ-VBSBHUPXSA-N 2 1 315.505 2.875 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N(C)CCC[NH2+]C)cc1)C(C)C ZINC000424019475 429078764 /nfs/dbraw/zinc/07/87/64/429078764.db2.gz LWDDDNWGTIUBKJ-UHFFFAOYSA-N 2 1 305.466 2.598 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000423386506 429078940 /nfs/dbraw/zinc/07/89/40/429078940.db2.gz LIFTYBPJLGRZGH-HOCLYGCPSA-N 2 1 303.450 2.772 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CCC[NH2+]C)cc1 ZINC000424019812 429078990 /nfs/dbraw/zinc/07/89/90/429078990.db2.gz MUPNCWRMKUXKJH-UHFFFAOYSA-N 2 1 305.466 2.600 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000423396339 429080332 /nfs/dbraw/zinc/08/03/32/429080332.db2.gz NRUWEMCKVNPNCH-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000423396339 429080335 /nfs/dbraw/zinc/08/03/35/429080335.db2.gz NRUWEMCKVNPNCH-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423397908 429082096 /nfs/dbraw/zinc/08/20/96/429082096.db2.gz VDQLNNMSEGJGPX-DOTOQJQBSA-N 2 1 317.477 2.796 20 0 DFADMP CN(C[C@H]1CCC[N@@H+](C)C1)C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424140713 429097939 /nfs/dbraw/zinc/09/79/39/429097939.db2.gz WOOCOIGAWYIBFM-ZWKOTPCHSA-N 2 1 323.525 2.865 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000423415005 429084112 /nfs/dbraw/zinc/08/41/12/429084112.db2.gz CZHKRDBRMGZBFV-YOEHRIQHSA-N 2 1 303.450 2.701 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695853 429145783 /nfs/dbraw/zinc/14/57/83/429145783.db2.gz YOWXLGAMUFXRSD-CABCVRRESA-N 2 1 313.486 2.752 20 0 DFADMP CC[N@H+](CC(=O)N(C(C)C)C1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435622277 429152398 /nfs/dbraw/zinc/15/23/98/429152398.db2.gz CPTKDWCQPBVJFG-INIZCTEOSA-N 2 1 309.498 2.630 20 0 DFADMP CC[N@@H+](CC(=O)N(C(C)C)C1CCCC1)[C@H]1CCC[NH2+]CC1 ZINC000435622277 429152402 /nfs/dbraw/zinc/15/24/02/429152402.db2.gz CPTKDWCQPBVJFG-INIZCTEOSA-N 2 1 309.498 2.630 20 0 DFADMP CC[N@@H+](CCOCCOc1ccccc1)[C@H]1CCC[NH2+]CC1 ZINC000435627401 429155359 /nfs/dbraw/zinc/15/53/59/429155359.db2.gz NIAWMOQSCYSURK-KRWDZBQOSA-N 2 1 306.450 2.546 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(Cl)cc1 ZINC000376651886 429155482 /nfs/dbraw/zinc/15/54/82/429155482.db2.gz NWKBCMXJEZDOPA-CABCVRRESA-N 2 1 305.809 2.829 20 0 DFADMP CC[N@@H+](CCC(=O)Nc1cccc(F)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435626421 429155790 /nfs/dbraw/zinc/15/57/90/429155790.db2.gz OKERPFADDVFCRF-MRXNPFEDSA-N 2 1 307.413 2.618 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423493441 429099189 /nfs/dbraw/zinc/09/91/89/429099189.db2.gz QBLOHOFQLUIQNG-LULLPPNCSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000423493441 429099193 /nfs/dbraw/zinc/09/91/93/429099193.db2.gz QBLOHOFQLUIQNG-LULLPPNCSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCN1C)C(c1ccccc1)c1ccccc1 ZINC000423505753 429100407 /nfs/dbraw/zinc/10/04/07/429100407.db2.gz GQBBIHZGKXZJFG-FXAWDEMLSA-N 2 1 323.484 2.700 20 0 DFADMP COc1cc(C)c([C@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000423504655 429100677 /nfs/dbraw/zinc/10/06/77/429100677.db2.gz GBRBWDJFGXXBCJ-QWQRMKEZSA-N 2 1 306.450 2.990 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc1NC(C)=O ZINC000423505053 429100998 /nfs/dbraw/zinc/10/09/98/429100998.db2.gz HBOXMOOXUIRTNJ-SJKOYZFVSA-N 2 1 319.449 2.822 20 0 DFADMP Cc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)oc1C ZINC000423500352 429101452 /nfs/dbraw/zinc/10/14/52/429101452.db2.gz ABRQCJFLIHQWJD-OOHWJJMZSA-N 2 1 305.466 2.763 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+][C@H](C[NH3+])C2CCCC2)C1 ZINC000423503956 429101478 /nfs/dbraw/zinc/10/14/78/429101478.db2.gz NFOYYQVHSNIRMX-BHYGNILZSA-N 2 1 310.482 2.996 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)cc(OC)c1OC ZINC000423500697 429101581 /nfs/dbraw/zinc/10/15/81/429101581.db2.gz DBKKSDPXJROVAK-IUODEOHRSA-N 2 1 322.449 2.881 20 0 DFADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505577 429101945 /nfs/dbraw/zinc/10/19/45/429101945.db2.gz HEENHOVCFVAKTQ-IZBJGVDFSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505577 429101947 /nfs/dbraw/zinc/10/19/47/429101947.db2.gz HEENHOVCFVAKTQ-IZBJGVDFSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C[C@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505577 429101951 /nfs/dbraw/zinc/10/19/51/429101951.db2.gz HEENHOVCFVAKTQ-IZBJGVDFSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H](c2cnn(C)c2)c2cccc(F)c2)C[C@@]1(C)C[NH3+] ZINC000423508952 429103110 /nfs/dbraw/zinc/10/31/10/429103110.db2.gz LSEFQKYNXITTIP-JEBQAFNWSA-N 2 1 316.424 2.565 20 0 DFADMP C[C@@H]1C[N@H+]([C@H](c2cnn(C)c2)c2cccc(F)c2)C[C@@]1(C)C[NH3+] ZINC000423508952 429103112 /nfs/dbraw/zinc/10/31/12/429103112.db2.gz LSEFQKYNXITTIP-JEBQAFNWSA-N 2 1 316.424 2.565 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423519806 429106971 /nfs/dbraw/zinc/10/69/71/429106971.db2.gz QOVQSPPGHOAWTP-GTPINHCMSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000423520543 429106983 /nfs/dbraw/zinc/10/69/83/429106983.db2.gz RGZJLFDPDKMVNU-NNGSBXSVSA-N 2 1 305.441 2.693 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(c2ncc3n2CCCC3)CC1 ZINC000434690259 429107666 /nfs/dbraw/zinc/10/76/66/429107666.db2.gz FSIZUVNZURPDCC-QGZVFWFLSA-N 2 1 316.493 2.883 20 0 DFADMP Cc1nc(C)c([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000423525890 429109190 /nfs/dbraw/zinc/10/91/90/429109190.db2.gz YTAUWYXJNSVSRT-IUDNXUCKSA-N 2 1 322.522 2.627 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000423529255 429111272 /nfs/dbraw/zinc/11/12/72/429111272.db2.gz XOIGNTZWQFKEGH-QZTJIDSGSA-N 2 1 305.441 2.550 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[N@H+](C)Cc2ccccc2)c1 ZINC000424251153 429114862 /nfs/dbraw/zinc/11/48/62/429114862.db2.gz XTKYYOPZMKWXSN-HNNXBMFYSA-N 2 1 311.429 2.913 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)[C@H](C)[N@@H+](C)Cc2ccccc2)c1 ZINC000424251153 429114865 /nfs/dbraw/zinc/11/48/65/429114865.db2.gz XTKYYOPZMKWXSN-HNNXBMFYSA-N 2 1 311.429 2.913 20 0 DFADMP CCc1cccc(NC(=O)C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c1 ZINC000424283813 429119613 /nfs/dbraw/zinc/11/96/13/429119613.db2.gz CGLLYVPMJFHJJL-OAHLLOKOSA-N 2 1 315.461 2.652 20 0 DFADMP CCN(C(=O)C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)C1CCCCC1 ZINC000424285684 429120043 /nfs/dbraw/zinc/12/00/43/429120043.db2.gz GFWBAIUBFHCZNE-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1nccn1Cc1ccccc1)CC[NH2+]CC2 ZINC000424286036 429120202 /nfs/dbraw/zinc/12/02/02/429120202.db2.gz GUANJZGFYILZTD-QGZVFWFLSA-N 2 1 324.472 2.895 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)n1 ZINC000424295968 429121224 /nfs/dbraw/zinc/12/12/24/429121224.db2.gz RTQVGEQPQIGVLV-CQSZACIVSA-N 2 1 306.454 2.622 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)n1 ZINC000424295966 429121344 /nfs/dbraw/zinc/12/13/44/429121344.db2.gz RTQVGEQPQIGVLV-AWEZNQCLSA-N 2 1 306.454 2.622 20 0 DFADMP COC(=O)c1ccc(F)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424299012 429123185 /nfs/dbraw/zinc/12/31/85/429123185.db2.gz VIULVYMTLCNSDM-ZDUSSCGKSA-N 2 1 320.408 2.576 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424300543 429123202 /nfs/dbraw/zinc/12/32/02/429123202.db2.gz WPSNUKDZVSJFPB-INIZCTEOSA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(OCC[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cc1 ZINC000424300510 429123459 /nfs/dbraw/zinc/12/34/59/429123459.db2.gz WMLCITNTDNYHCG-HNNXBMFYSA-N 2 1 304.434 2.538 20 0 DFADMP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130612 429125714 /nfs/dbraw/zinc/12/57/14/429125714.db2.gz SZVKNEYDGOZQDU-OAHLLOKOSA-N 2 1 314.433 2.833 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130612 429125716 /nfs/dbraw/zinc/12/57/16/429125716.db2.gz SZVKNEYDGOZQDU-OAHLLOKOSA-N 2 1 314.433 2.833 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130612 429125719 /nfs/dbraw/zinc/12/57/19/429125719.db2.gz SZVKNEYDGOZQDU-OAHLLOKOSA-N 2 1 314.433 2.833 20 0 DFADMP C[NH+](CC1CC1)C[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130612 429125721 /nfs/dbraw/zinc/12/57/21/429125721.db2.gz SZVKNEYDGOZQDU-OAHLLOKOSA-N 2 1 314.433 2.833 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1cccc(OCC[NH+](C)C)c1 ZINC000424373290 429131367 /nfs/dbraw/zinc/13/13/67/429131367.db2.gz JLHSMXZFUAXKQN-ZTFGCOKTSA-N 3 1 305.466 2.548 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[N@@H+](CC[C@@H]2CCCC[NH+]2C)C1 ZINC000435331564 429131484 /nfs/dbraw/zinc/13/14/84/429131484.db2.gz IBXAKPCTYVYYJK-BZSNNMDCSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000435331564 429131487 /nfs/dbraw/zinc/13/14/87/429131487.db2.gz IBXAKPCTYVYYJK-BZSNNMDCSA-N 2 1 323.525 2.878 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000435331564 429131490 /nfs/dbraw/zinc/13/14/90/429131490.db2.gz IBXAKPCTYVYYJK-BZSNNMDCSA-N 2 1 323.525 2.878 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000424370579 429132321 /nfs/dbraw/zinc/13/23/21/429132321.db2.gz DRFPCZVZFDQXRZ-OMQSBVIBSA-N 2 1 313.489 2.757 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000424380302 429134369 /nfs/dbraw/zinc/13/43/69/429134369.db2.gz WSHFFKAJNYWDTI-SGIREYDYSA-N 2 1 301.434 2.837 20 0 DFADMP COCCOc1ccc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)cc1 ZINC000424382797 429134522 /nfs/dbraw/zinc/13/45/22/429134522.db2.gz STKWTFXFXUMHAJ-MRXNPFEDSA-N 2 1 318.461 2.676 20 0 DFADMP CC[N@H+](Cc1ccc(Br)cn1)[C@H]1CCC[NH2+]CC1 ZINC000435392852 429138397 /nfs/dbraw/zinc/13/83/97/429138397.db2.gz YHPQADWIMZVCSD-AWEZNQCLSA-N 2 1 312.255 2.808 20 0 DFADMP CC[N@@H+](Cc1ccc(Br)cn1)[C@H]1CCC[NH2+]CC1 ZINC000435392852 429138401 /nfs/dbraw/zinc/13/84/01/429138401.db2.gz YHPQADWIMZVCSD-AWEZNQCLSA-N 2 1 312.255 2.808 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2C[C@@H]3CC[C@@H]([NH3+])[C@@H]3C2)cc1F ZINC000435392092 429138667 /nfs/dbraw/zinc/13/86/67/429138667.db2.gz ZVAMJIDWNBEYKL-MKVSYHDVSA-N 2 1 306.425 2.682 20 0 DFADMP c1csc(C[N@H+](C[C@H]2CCCOC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000435425276 429138957 /nfs/dbraw/zinc/13/89/57/429138957.db2.gz CEIYIUOJNGUPBS-CABCVRRESA-N 2 1 321.490 2.514 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000424423035 429140743 /nfs/dbraw/zinc/14/07/43/429140743.db2.gz FPEOHSWOVMCJNI-INIZCTEOSA-N 2 1 318.465 2.696 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NC[C@@H](C)[N@H+]2CCCC[C@@H]2C)c1 ZINC000424433315 429141078 /nfs/dbraw/zinc/14/10/78/429141078.db2.gz DOIURGOXYKCPBZ-LSDHHAIUSA-N 2 1 318.465 2.838 20 0 DFADMP Cn1ccnc1C[N@@H+](CC1CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435432677 429141339 /nfs/dbraw/zinc/14/13/39/429141339.db2.gz JXKBKJDUWPJUFU-QGZVFWFLSA-N 2 1 316.493 2.945 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cc(C)cc(C[NH3+])c2)C[C@@H]1C ZINC000424437819 429141450 /nfs/dbraw/zinc/14/14/50/429141450.db2.gz OTNDUMGYRFCZGW-YOEHRIQHSA-N 2 1 318.465 2.790 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424441779 429141752 /nfs/dbraw/zinc/14/17/52/429141752.db2.gz XDBJNMSNPZBLAM-QGZVFWFLSA-N 2 1 318.465 2.840 20 0 DFADMP CCOCc1cc(C[N@@H+](C)[C@@H]2CCC[NH2+]CC2)ccc1OC ZINC000435436659 429142381 /nfs/dbraw/zinc/14/23/81/429142381.db2.gz GUIFROPMGOSOJP-QGZVFWFLSA-N 2 1 306.450 2.806 20 0 DFADMP c1cc(C[N@H+](C[C@H]2CCOC2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000435694972 429159795 /nfs/dbraw/zinc/15/97/95/429159795.db2.gz MUOJKHIPZUAOEU-GDBMZVCRSA-N 2 1 306.475 2.729 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H](C)[C@H]2C)CC1 ZINC000494889141 429161784 /nfs/dbraw/zinc/16/17/84/429161784.db2.gz JTNYENJDFVYVIX-SQGPQFPESA-N 2 1 315.505 2.958 20 0 DFADMP c1ccc(COC2CC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000364072069 429166537 /nfs/dbraw/zinc/16/65/37/429166537.db2.gz HLIMMXILCCEICH-RRENTHDGSA-N 2 1 300.446 2.951 20 0 DFADMP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1cc(F)ccc1F ZINC000051907771 275056466 /nfs/dbraw/zinc/05/64/66/275056466.db2.gz FCGCIBZIZIKBTK-GOSISDBHSA-N 2 1 324.415 2.806 20 0 DFADMP COCCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435689031 429159014 /nfs/dbraw/zinc/15/90/14/429159014.db2.gz VSVNBNZWCJYPRF-CQSZACIVSA-N 2 1 309.479 2.514 20 0 DFADMP O[C@]1(c2ccccc2)CCC[N@@H+](CCC[NH+]2CCCC2)CC1 ZINC000375085967 275060511 /nfs/dbraw/zinc/06/05/11/275060511.db2.gz XCPATAVNCIYZIE-LJQANCHMSA-N 2 1 302.462 2.846 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000262025658 275069484 /nfs/dbraw/zinc/06/94/84/275069484.db2.gz WZXJPNAQNRCZQD-FCGDIQPGSA-N 2 1 300.446 2.811 20 0 DFADMP Cc1c[nH+]cn1C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC000364357138 429189329 /nfs/dbraw/zinc/18/93/29/429189329.db2.gz FBKXJSXNGKPUKO-MRXNPFEDSA-N 2 1 318.465 2.620 20 0 DFADMP C[C@@H](Cc1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364330099 429184421 /nfs/dbraw/zinc/18/44/21/429184421.db2.gz UFQMNXWGJFTQKN-AZUAARDMSA-N 2 1 315.505 2.577 20 0 DFADMP Brc1ccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000368847375 275369348 /nfs/dbraw/zinc/36/93/48/275369348.db2.gz YLGNVCGUPMBCMW-CYBMUJFWSA-N 2 1 306.207 2.750 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@@H]1CC ZINC000489049291 429216139 /nfs/dbraw/zinc/21/61/39/429216139.db2.gz XYHZOZGETSEDEP-ROUUACIJSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769160 429234917 /nfs/dbraw/zinc/23/49/17/429234917.db2.gz MYJUBQXQMJLUFP-NEPJUHHUSA-N 2 1 318.339 2.633 20 0 DFADMP CCNC(=O)OC[C@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000495679706 429243794 /nfs/dbraw/zinc/24/37/94/429243794.db2.gz MSEWFMNLXIFRCF-MRXNPFEDSA-N 2 1 322.453 2.572 20 0 DFADMP CCNC(=O)OC[C@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000495679706 429243797 /nfs/dbraw/zinc/24/37/97/429243797.db2.gz MSEWFMNLXIFRCF-MRXNPFEDSA-N 2 1 322.453 2.572 20 0 DFADMP CCc1cc(NCCC[N@@H+](C)CCOC)c2ccccc2[nH+]1 ZINC000443436044 429250427 /nfs/dbraw/zinc/25/04/27/429250427.db2.gz ZYEIMRIWBHJLRJ-UHFFFAOYSA-N 2 1 301.434 2.599 20 0 DFADMP C[C@H](C(=O)NC(C)(C)CCC[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000456161665 429252151 /nfs/dbraw/zinc/25/21/51/429252151.db2.gz DKDJPGLJRFHAOP-MRXNPFEDSA-N 2 1 319.493 2.744 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)cc1 ZINC000364705152 429253110 /nfs/dbraw/zinc/25/31/10/429253110.db2.gz CWHKTUJLBFDZGI-OAHLLOKOSA-N 2 1 321.428 2.934 20 0 DFADMP C[N@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364716896 429255360 /nfs/dbraw/zinc/25/53/60/429255360.db2.gz XULNSEDIUWMBCO-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccc(Cl)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364716896 429255363 /nfs/dbraw/zinc/25/53/63/429255363.db2.gz XULNSEDIUWMBCO-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP CC(C)n1ccnc1CN1CCC[N@@H+](C[C@H]2CC[C@@H](C)O2)CC1 ZINC000365055338 429274774 /nfs/dbraw/zinc/27/47/74/429274774.db2.gz OZWBNDGNDMEHQG-IAGOWNOFSA-N 2 1 320.481 2.539 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542739 429318731 /nfs/dbraw/zinc/31/87/31/429318731.db2.gz OSLHHKGHTSGQKN-QZTJIDSGSA-N 2 1 302.462 2.915 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542739 429318735 /nfs/dbraw/zinc/31/87/35/429318735.db2.gz OSLHHKGHTSGQKN-QZTJIDSGSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542739 429318737 /nfs/dbraw/zinc/31/87/37/429318737.db2.gz OSLHHKGHTSGQKN-QZTJIDSGSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC(C)(C)C[C@@H]1c1ccccc1)C1CC1 ZINC000425542739 429318740 /nfs/dbraw/zinc/31/87/40/429318740.db2.gz OSLHHKGHTSGQKN-QZTJIDSGSA-N 2 1 302.462 2.915 20 0 DFADMP C[C@H]1C[N@@H+](CCC2CCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000491024691 429319056 /nfs/dbraw/zinc/31/90/56/429319056.db2.gz XWHQBXGAHFWTSQ-PKOBYXMFSA-N 2 1 307.526 2.915 20 0 DFADMP COCCOc1cccc(C[N@@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365453229 429322181 /nfs/dbraw/zinc/32/21/81/429322181.db2.gz DSDSHHCZBMMWFQ-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H]([NH+](C)C)CC2)c1 ZINC000365453229 429322182 /nfs/dbraw/zinc/32/21/82/429322182.db2.gz DSDSHHCZBMMWFQ-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP C[C@@H](Cc1coc2ccccc12)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000449094167 429331616 /nfs/dbraw/zinc/33/16/16/429331616.db2.gz QOYSAAKYUPXDHX-HNNXBMFYSA-N 2 1 316.445 2.800 20 0 DFADMP Cc1ccccc1[C@@H]([NH3+])C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000449107243 429332864 /nfs/dbraw/zinc/33/28/64/429332864.db2.gz LWTQTDVAFSDFER-GOSISDBHSA-N 2 1 317.477 2.718 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@H+]2C)CC1 ZINC000449102005 429333201 /nfs/dbraw/zinc/33/32/01/429333201.db2.gz HWNZLKQOVBLRMM-XLIONFOSSA-N 2 1 315.505 2.766 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCN2C)CC1 ZINC000449102005 429333206 /nfs/dbraw/zinc/33/32/06/429333206.db2.gz HWNZLKQOVBLRMM-XLIONFOSSA-N 2 1 315.505 2.766 20 0 DFADMP COc1cc(C)ccc1C[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000449103791 429333467 /nfs/dbraw/zinc/33/34/67/429333467.db2.gz RZWCYXDBZIRVPJ-CALCHBBNSA-N 2 1 320.477 2.983 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365538599 429335835 /nfs/dbraw/zinc/33/58/35/429335835.db2.gz NPEBTVLJSFXHFB-NZSAHSFTSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365538599 429335841 /nfs/dbraw/zinc/33/58/41/429335841.db2.gz NPEBTVLJSFXHFB-NZSAHSFTSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365538599 429335842 /nfs/dbraw/zinc/33/58/42/429335842.db2.gz NPEBTVLJSFXHFB-NZSAHSFTSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)c1 ZINC000365538599 429335846 /nfs/dbraw/zinc/33/58/46/429335846.db2.gz NPEBTVLJSFXHFB-NZSAHSFTSA-N 2 1 313.445 2.561 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365547517 429338832 /nfs/dbraw/zinc/33/88/32/429338832.db2.gz CRKLBLVPCWKFFH-BHIYHBOVSA-N 2 1 324.472 2.556 20 0 DFADMP CC(C)CC[C@@H]1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)C1 ZINC000449134704 429339827 /nfs/dbraw/zinc/33/98/27/429339827.db2.gz KXEDNDZUIGGTJG-FGTMMUONSA-N 2 1 323.525 2.768 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449336670 429391194 /nfs/dbraw/zinc/39/11/94/429391194.db2.gz OGFGLVLOSQSHNF-PMPSAXMXSA-N 2 1 309.498 2.521 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3ccc4c(c3)OCCCCO4)C2)C1 ZINC000449339134 429392733 /nfs/dbraw/zinc/39/27/33/429392733.db2.gz JKVABXAIDBEGIF-IBGZPJMESA-N 2 1 316.445 2.766 20 0 DFADMP C([NH+]1CC[C@H]2CCC[C@H]21)C1(C[N@H+]2CC[C@@H]3CCC[C@H]32)COC1 ZINC000426457192 429393126 /nfs/dbraw/zinc/39/31/26/429393126.db2.gz XRLJZTPEUWROFE-XMTFNYHQSA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CC[C@@H]2CCC[C@H]21)C1(C[N@@H+]2CC[C@H]3CCC[C@H]32)COC1 ZINC000426457192 429393128 /nfs/dbraw/zinc/39/31/28/429393128.db2.gz XRLJZTPEUWROFE-XMTFNYHQSA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CC[C@@H]2CCC[C@H]21)C1(C[N@H+]2CC[C@H]3CCC[C@H]32)COC1 ZINC000426457192 429393129 /nfs/dbraw/zinc/39/31/29/429393129.db2.gz XRLJZTPEUWROFE-XMTFNYHQSA-N 2 1 304.478 2.752 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](C[C@@H]3CCSC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000365876840 429394638 /nfs/dbraw/zinc/39/46/38/429394638.db2.gz LKNVPDQHRWQLOH-XOYOTBSWSA-N 2 1 302.487 2.974 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](C[C@@H]3CCSC3)C[C@@H]2[C@H]1c1ccccc1 ZINC000365876840 429394643 /nfs/dbraw/zinc/39/46/43/429394643.db2.gz LKNVPDQHRWQLOH-XOYOTBSWSA-N 2 1 302.487 2.974 20 0 DFADMP C[NH+]1CCC(CC(=O)N[C@H]2CCC[N@H+](C3CCCCC3)C2)CC1 ZINC000365881921 429396613 /nfs/dbraw/zinc/39/66/13/429396613.db2.gz DTZNAIJFDWBUPB-KRWDZBQOSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc2ccccc21)C1CC1 ZINC000517925322 429403027 /nfs/dbraw/zinc/40/30/27/429403027.db2.gz DFEYYUXIOKGJQO-LSTHTHJFSA-N 2 1 310.441 2.740 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1C[C@H]1c1cccc2ccccc21)C1CC1 ZINC000517925322 429403032 /nfs/dbraw/zinc/40/30/32/429403032.db2.gz DFEYYUXIOKGJQO-LSTHTHJFSA-N 2 1 310.441 2.740 20 0 DFADMP C[C@@H]([NH2+]CC1=CCOCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449405438 429405487 /nfs/dbraw/zinc/40/54/87/429405487.db2.gz YMPRRBMTWLQGCC-APWZRJJASA-N 2 1 300.446 2.833 20 0 DFADMP c1c(C[N@H+]2CCC[C@@]3(CCSC3)C2)onc1C1CC[NH2+]CC1 ZINC000425893198 429349030 /nfs/dbraw/zinc/34/90/30/429349030.db2.gz BSMNPBPGNAQFRQ-QGZVFWFLSA-N 2 1 321.490 2.861 20 0 DFADMP COc1cc(F)cc(C[NH2+]Cc2cc(C3CC[NH2+]CC3)no2)c1 ZINC000425896338 429350146 /nfs/dbraw/zinc/35/01/46/429350146.db2.gz ODTYWEMUMLEUGK-UHFFFAOYSA-N 2 1 319.380 2.579 20 0 DFADMP COC(=O)C1CCC([NH2+]CCCC[N@H+]2CCCC[C@H]2C)CC1 ZINC000425949503 429353356 /nfs/dbraw/zinc/35/33/56/429353356.db2.gz IMPNSMDWEMGKLO-KLAILNCOSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21)N1CCc2ccccc21 ZINC000513689416 429362023 /nfs/dbraw/zinc/36/20/23/429362023.db2.gz BVIZAKQYGVEEDM-UIXUWTQFSA-N 2 1 313.489 2.900 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)[C@@H]2CCC[C@H]21 ZINC000513755176 429362180 /nfs/dbraw/zinc/36/21/80/429362180.db2.gz QKBFGXNVIWPZGV-CMKODMSKSA-N 2 1 313.489 2.902 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCc3cn[nH]c3C2)CC1 ZINC000513336712 429363123 /nfs/dbraw/zinc/36/31/23/429363123.db2.gz ZQJOAINFGOGLAJ-LJHODMEESA-N 2 1 316.493 2.900 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000449242268 429365177 /nfs/dbraw/zinc/36/51/77/429365177.db2.gz DZTGQISNHVPFHD-JQHSSLGASA-N 2 1 322.880 2.707 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H]2Cc2ccc(Cl)cc2)C1 ZINC000449242268 429365179 /nfs/dbraw/zinc/36/51/79/429365179.db2.gz DZTGQISNHVPFHD-JQHSSLGASA-N 2 1 322.880 2.707 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@@H]1CCCC[C@H]1[NH3+] ZINC000449326434 429387367 /nfs/dbraw/zinc/38/73/67/429387367.db2.gz VTMHAWZLKIVULZ-IXDOHACOSA-N 2 1 309.498 2.665 20 0 DFADMP COc1cc(F)cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1 ZINC000449324589 429387525 /nfs/dbraw/zinc/38/75/25/429387525.db2.gz GGRCAHFNUAHRNE-MRXNPFEDSA-N 2 1 306.425 2.998 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]1CCCC[C@H]1[NH3+] ZINC000449326432 429387685 /nfs/dbraw/zinc/38/76/85/429387685.db2.gz VTMHAWZLKIVULZ-BRWVUGGUSA-N 2 1 309.498 2.665 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000449580959 429453715 /nfs/dbraw/zinc/45/37/15/429453715.db2.gz VXDQRPMMIOHUKZ-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCC2(CO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000449580959 429453716 /nfs/dbraw/zinc/45/37/16/429453716.db2.gz VXDQRPMMIOHUKZ-WMZOPIPTSA-N 2 1 302.462 2.792 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](CO)CC(C)(C)C ZINC000449582121 429453857 /nfs/dbraw/zinc/45/38/57/429453857.db2.gz DRFYGGHLKAXWDC-QGZVFWFLSA-N 2 1 316.449 2.805 20 0 DFADMP c1c[nH]c([C@H](N[C@@H]2CC[N@H+](C3CCCC3)C2)c2cccnc2)n1 ZINC000366453001 429455119 /nfs/dbraw/zinc/45/51/19/429455119.db2.gz SFMFPQJKJZGGCB-NVXWUHKLSA-N 2 1 311.433 2.501 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCn1ccnc1C(C)C ZINC000426765758 429414105 /nfs/dbraw/zinc/41/41/05/429414105.db2.gz RWDWGHLBKGOKFU-OAHLLOKOSA-N 2 1 308.470 2.633 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000426765758 429414108 /nfs/dbraw/zinc/41/41/08/429414108.db2.gz RWDWGHLBKGOKFU-OAHLLOKOSA-N 2 1 308.470 2.633 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000426765758 429414112 /nfs/dbraw/zinc/41/41/12/429414112.db2.gz RWDWGHLBKGOKFU-OAHLLOKOSA-N 2 1 308.470 2.633 20 0 DFADMP COc1cc2c(c(CN3CC[C@@]4(CC[N@@H+](C)C4)C3)c1)O[C@@H](C)C2 ZINC000366535503 429469888 /nfs/dbraw/zinc/46/98/88/429469888.db2.gz ONNINJZBIDIDOD-IFXJQAMLSA-N 2 1 316.445 2.546 20 0 DFADMP C[N@@H+](CCCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC000457163117 429415741 /nfs/dbraw/zinc/41/57/41/429415741.db2.gz GOGRBGKOJLETTP-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC000457163117 429415745 /nfs/dbraw/zinc/41/57/45/429415745.db2.gz GOGRBGKOJLETTP-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCCCNC(=O)[C@H]1CCCC[N@H+]1C1CCCC1)C1CC1 ZINC000457163117 429415747 /nfs/dbraw/zinc/41/57/47/429415747.db2.gz GOGRBGKOJLETTP-GOSISDBHSA-N 2 1 321.509 2.774 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)C[NH+](C)C)cc1)C(C)C ZINC000457199272 429424979 /nfs/dbraw/zinc/42/49/79/429424979.db2.gz CEBCFJOIBILHPZ-UHFFFAOYSA-N 2 1 319.493 2.987 20 0 DFADMP CCC[C@@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000449465354 429426882 /nfs/dbraw/zinc/42/68/82/429426882.db2.gz CKKPIEOYRWOHMZ-MRXNPFEDSA-N 2 1 319.497 2.533 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000491900260 429430571 /nfs/dbraw/zinc/43/05/71/429430571.db2.gz DMXMVYZOZCWSOK-SJORKVTESA-N 2 1 311.514 2.924 20 0 DFADMP Cc1cccnc1CCC[NH2+]Cc1ncc(C[NH+](C)C)s1 ZINC000449487341 429433589 /nfs/dbraw/zinc/43/35/89/429433589.db2.gz YBSLWADLWCZYSU-UHFFFAOYSA-N 2 1 304.463 2.631 20 0 DFADMP c1cc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)ccn1 ZINC000427126935 429434254 /nfs/dbraw/zinc/43/42/54/429434254.db2.gz BUARFQWFGLMOAP-UYAOXDASSA-N 2 1 323.440 2.844 20 0 DFADMP c1cc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)ccn1 ZINC000427126935 429434258 /nfs/dbraw/zinc/43/42/58/429434258.db2.gz BUARFQWFGLMOAP-UYAOXDASSA-N 2 1 323.440 2.844 20 0 DFADMP CC(C)c1nc([C@H]2CCCN2CCCc2c[nH+]cn2C)no1 ZINC000518790948 429436611 /nfs/dbraw/zinc/43/66/11/429436611.db2.gz RUIXYTZDPPAWPC-CQSZACIVSA-N 2 1 303.410 2.696 20 0 DFADMP C/C=C(\C=C\C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)CC ZINC000366229694 429438034 /nfs/dbraw/zinc/43/80/34/429438034.db2.gz AYGQYAPVFXTSNI-PIISJDTDSA-N 2 1 319.493 2.526 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136422 429474420 /nfs/dbraw/zinc/47/44/20/429474420.db2.gz SRZQRZIHPCTMOQ-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136422 429474424 /nfs/dbraw/zinc/47/44/24/429474424.db2.gz SRZQRZIHPCTMOQ-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136422 429474427 /nfs/dbraw/zinc/47/44/27/429474427.db2.gz SRZQRZIHPCTMOQ-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](C[C@@H](C)NC(=O)OC(C)(C)C)C1 ZINC000492136422 429474431 /nfs/dbraw/zinc/47/44/31/429474431.db2.gz SRZQRZIHPCTMOQ-CABCVRRESA-N 2 1 313.486 2.563 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000427863016 429475820 /nfs/dbraw/zinc/47/58/20/429475820.db2.gz AEMIGCPJCJNNPX-OAHLLOKOSA-N 2 1 308.470 2.633 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CCn1cc[nH+]c1C(C)C ZINC000427863016 429475825 /nfs/dbraw/zinc/47/58/25/429475825.db2.gz AEMIGCPJCJNNPX-OAHLLOKOSA-N 2 1 308.470 2.633 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492162826 429479117 /nfs/dbraw/zinc/47/91/17/429479117.db2.gz UJYDQOXFRDJKAX-QLBOMPFWSA-N 2 1 321.509 2.607 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)N2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000366571608 429479705 /nfs/dbraw/zinc/47/97/05/429479705.db2.gz XZRVFSNTSBRVEP-LPHOPBHVSA-N 2 1 315.461 2.658 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000366604138 429486060 /nfs/dbraw/zinc/48/60/60/429486060.db2.gz RXEARFGBGSPKRM-QZTJIDSGSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000366604138 429486062 /nfs/dbraw/zinc/48/60/62/429486062.db2.gz RXEARFGBGSPKRM-QZTJIDSGSA-N 2 1 304.478 2.894 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1)C(C)C ZINC000449716845 429488941 /nfs/dbraw/zinc/48/89/41/429488941.db2.gz DBYLGKDBOKTOBH-WMZOPIPTSA-N 2 1 317.477 2.774 20 0 DFADMP COC1CC[NH+](C2(C[NH2+]C3CC(OC(C)C)C3)CCCC2)CC1 ZINC000428088231 429490326 /nfs/dbraw/zinc/49/03/26/429490326.db2.gz CKLAYSPSHLNHIS-UHFFFAOYSA-N 2 1 324.509 2.956 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000449735218 429490958 /nfs/dbraw/zinc/49/09/58/429490958.db2.gz GHNNQRUDDRJQEW-GDAAHCPNSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CCC[C@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000449735218 429490962 /nfs/dbraw/zinc/49/09/62/429490962.db2.gz GHNNQRUDDRJQEW-GDAAHCPNSA-N 2 1 302.462 2.790 20 0 DFADMP CC[C@H](c1ccccc1F)[NH+]1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000366682397 429493126 /nfs/dbraw/zinc/49/31/26/429493126.db2.gz QSCGOUZUKUEIIX-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP CC[C@H](c1ccccc1F)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000366682397 429493129 /nfs/dbraw/zinc/49/31/29/429493129.db2.gz QSCGOUZUKUEIIX-QFBILLFUSA-N 2 1 319.468 2.989 20 0 DFADMP CC(C)c1cc(N2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000428162112 429494655 /nfs/dbraw/zinc/49/46/55/429494655.db2.gz LZULVJUIUQOPQK-ZBFHGGJFSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000428162112 429494658 /nfs/dbraw/zinc/49/46/58/429494658.db2.gz LZULVJUIUQOPQK-ZBFHGGJFSA-N 2 1 317.481 2.587 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)cc1)C(C)C ZINC000449748288 429498663 /nfs/dbraw/zinc/49/86/63/429498663.db2.gz BEFUHCMBKSVNAJ-QGZVFWFLSA-N 2 1 317.477 2.787 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2(C)C)cc1)C1CC1 ZINC000449755498 429499396 /nfs/dbraw/zinc/49/93/96/429499396.db2.gz UFHPXVBJTWHOEF-KRWDZBQOSA-N 2 1 315.461 2.541 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CCc3[nH+]ccn3C2)C12CCCC2 ZINC000366730053 429501608 /nfs/dbraw/zinc/50/16/08/429501608.db2.gz NJUVJXWBNMFNMJ-BZUAXINKSA-N 2 1 303.450 2.773 20 0 DFADMP CC[N@@H+](CCC1CCN(Cc2nnc(C)[nH]2)CC1)CC(C)C ZINC000428297223 429507428 /nfs/dbraw/zinc/50/74/28/429507428.db2.gz FVTDBDNGSGHJCG-UHFFFAOYSA-N 2 1 307.486 2.693 20 0 DFADMP CCC(CC)C[N@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428420048 429520841 /nfs/dbraw/zinc/52/08/41/429520841.db2.gz CTKHAUMEVSBKQX-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CCC(CC)C[N@@H+](C)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000428420048 429520845 /nfs/dbraw/zinc/52/08/45/429520845.db2.gz CTKHAUMEVSBKQX-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CCC(CC)C[NH+](C)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000428420048 429520850 /nfs/dbraw/zinc/52/08/50/429520850.db2.gz CTKHAUMEVSBKQX-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CCC(CC)C[NH+](C)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000428420048 429520852 /nfs/dbraw/zinc/52/08/52/429520852.db2.gz CTKHAUMEVSBKQX-LJQANCHMSA-N 2 1 304.478 2.991 20 0 DFADMP CC[NH+]1CCC([N@H+](C[C@@H](O)Cc2ccccc2)C2CC2)CC1 ZINC000367006924 429556596 /nfs/dbraw/zinc/55/65/96/429556596.db2.gz KBIRHUABDVXXCC-IBGZPJMESA-N 2 1 302.462 2.539 20 0 DFADMP CC[NH+]1CCC([N@@H+](C[C@@H](O)Cc2ccccc2)C2CC2)CC1 ZINC000367006924 429556600 /nfs/dbraw/zinc/55/66/00/429556600.db2.gz KBIRHUABDVXXCC-IBGZPJMESA-N 2 1 302.462 2.539 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(Cc3ccc(Oc4ccccc4)nn3)C2)C1 ZINC000429026451 429574228 /nfs/dbraw/zinc/57/42/28/429574228.db2.gz YMVRPXKKTMPQTO-LJQANCHMSA-N 2 1 324.428 2.797 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000367118160 429580472 /nfs/dbraw/zinc/58/04/72/429580472.db2.gz YFRJHKMDPSAGKN-KRWDZBQOSA-N 2 1 313.449 2.862 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@H]1CNc1cccc(C)n1 ZINC000367118160 429580474 /nfs/dbraw/zinc/58/04/74/429580474.db2.gz YFRJHKMDPSAGKN-KRWDZBQOSA-N 2 1 313.449 2.862 20 0 DFADMP CC[NH+]1CCC(N(Cc2cccc(C(=O)OC)c2)C2CC2)CC1 ZINC000367110266 429580993 /nfs/dbraw/zinc/58/09/93/429580993.db2.gz MDJWKHNDORJNJL-UHFFFAOYSA-N 2 1 316.445 2.922 20 0 DFADMP C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C(C)(C)C[NH+](C)C ZINC000449936622 429539759 /nfs/dbraw/zinc/53/97/59/429539759.db2.gz DSLCWMALTBQIFE-WBVHZDCISA-N 2 1 323.525 2.876 20 0 DFADMP CC(C)c1cc(N2CCC[C@@H]([NH+](C)C)CC2)nc(N(C)C)[nH+]1 ZINC000428681135 429544660 /nfs/dbraw/zinc/54/46/60/429544660.db2.gz FHMLLTXEDGIYOL-CQSZACIVSA-N 2 1 305.470 2.587 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@H+]1CCC[C@H](n2ccnc2)C1 ZINC000367309255 429617179 /nfs/dbraw/zinc/61/71/79/429617179.db2.gz UXCBUVFQEWVZJV-KBPBESRZSA-N 2 1 301.390 2.995 20 0 DFADMP COc1ccc(O)cc1[C@H](C)N1CCC[C@H](n2ccnc2)C1 ZINC000367309255 429617185 /nfs/dbraw/zinc/61/71/85/429617185.db2.gz UXCBUVFQEWVZJV-KBPBESRZSA-N 2 1 301.390 2.995 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](C[C@@H](O)c1ccccc1)CC2)C1CC1 ZINC000367308929 429618078 /nfs/dbraw/zinc/61/80/78/429618078.db2.gz GFPZGKUMRMLOGJ-IEBWSBKVSA-N 2 1 314.473 2.916 20 0 DFADMP Cc1ccccc1NC(=O)C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000524156108 429621316 /nfs/dbraw/zinc/62/13/16/429621316.db2.gz JEXZJCHEMSUTMJ-UHFFFAOYSA-N 2 1 317.477 2.986 20 0 DFADMP Cc1ccccc1NC(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156108 429621319 /nfs/dbraw/zinc/62/13/19/429621319.db2.gz JEXZJCHEMSUTMJ-UHFFFAOYSA-N 2 1 317.477 2.986 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)cc2F)[C@H](C)C1 ZINC000429809157 429634294 /nfs/dbraw/zinc/63/42/94/429634294.db2.gz QVFVDWKEIVPTJA-RHSMWYFYSA-N 2 1 321.440 2.735 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccn(CC(F)(F)F)n2)[C@@H](C)C1 ZINC000450574096 429652074 /nfs/dbraw/zinc/65/20/74/429652074.db2.gz ZDEDGFLMXDWESP-JSGCOSHPSA-N 2 1 318.387 2.608 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000367494753 429659026 /nfs/dbraw/zinc/65/90/26/429659026.db2.gz HDRWUKCRXDFEJW-GUDVDZBRSA-N 2 1 307.526 2.913 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H]3CCC[C@@H](C)C3)C2)CC1 ZINC000367494752 429659917 /nfs/dbraw/zinc/65/99/17/429659917.db2.gz HDRWUKCRXDFEJW-CEXWTWQISA-N 2 1 307.526 2.913 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(-c3ccccc3)c2)[C@@H]2CCC[C@H]21 ZINC000367517921 429664037 /nfs/dbraw/zinc/66/40/37/429664037.db2.gz FILBQPNWYKPMAG-GBESFXJTSA-N 2 1 310.445 2.835 20 0 DFADMP C[C@H]1C[N@@H+](CCC2=CCCCC2)CCN1C1CC[NH+](C)CC1 ZINC000450651289 429670220 /nfs/dbraw/zinc/67/02/20/429670220.db2.gz LKDPPMGTRDSIDQ-KRWDZBQOSA-N 2 1 305.510 2.977 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367583786 429678364 /nfs/dbraw/zinc/67/83/64/429678364.db2.gz FWLIVLSXELEOHR-ONYGOOLBSA-N 2 1 306.425 2.725 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367583786 429678368 /nfs/dbraw/zinc/67/83/68/429678368.db2.gz FWLIVLSXELEOHR-ONYGOOLBSA-N 2 1 306.425 2.725 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000367583786 429678370 /nfs/dbraw/zinc/67/83/70/429678370.db2.gz FWLIVLSXELEOHR-ONYGOOLBSA-N 2 1 306.425 2.725 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2cccn2)[C@@H]2CCC[C@H]21 ZINC000367601064 429681261 /nfs/dbraw/zinc/68/12/61/429681261.db2.gz MELQDQLTICDHRY-SLFFLAALSA-N 2 1 324.472 2.894 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@H+](C)[C@@H]1c1cccs1 ZINC000367601354 429681334 /nfs/dbraw/zinc/68/13/34/429681334.db2.gz NSFIYRDZOANHOZ-YOEHRIQHSA-N 2 1 318.490 2.963 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000367601354 429681338 /nfs/dbraw/zinc/68/13/38/429681338.db2.gz NSFIYRDZOANHOZ-YOEHRIQHSA-N 2 1 318.490 2.963 20 0 DFADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)[C@H](C)C1 ZINC000120735072 276216817 /nfs/dbraw/zinc/21/68/17/276216817.db2.gz CPMDHLSJCNPICF-VQIMIIECSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548572 429689137 /nfs/dbraw/zinc/68/91/37/429689137.db2.gz MCSRQKFURWWRRW-GMRIPVOYSA-N 2 1 321.509 2.615 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)C1 ZINC000430548572 429689140 /nfs/dbraw/zinc/68/91/40/429689140.db2.gz MCSRQKFURWWRRW-GMRIPVOYSA-N 2 1 321.509 2.615 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N2CCc3ccccc32)[C@@H](C)C1 ZINC000246969208 276228953 /nfs/dbraw/zinc/22/89/53/276228953.db2.gz JIPLQTHWIHISBU-JZXOWHBKSA-N 2 1 301.478 2.758 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@](C)(O)c2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367631759 429689587 /nfs/dbraw/zinc/68/95/87/429689587.db2.gz FFGGLTNRHMOZBQ-XWSJACJDSA-N 2 1 302.462 2.747 20 0 DFADMP CCN1C[C@@H](C)[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000358055727 276243475 /nfs/dbraw/zinc/24/34/75/276243475.db2.gz CGTQMTSNNZLQNX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)C1 ZINC000358055727 276243476 /nfs/dbraw/zinc/24/34/76/276243476.db2.gz CGTQMTSNNZLQNX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)C1 ZINC000358055727 276243477 /nfs/dbraw/zinc/24/34/77/276243477.db2.gz CGTQMTSNNZLQNX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@@H](C)[C@H](NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000358055727 276243478 /nfs/dbraw/zinc/24/34/78/276243478.db2.gz CGTQMTSNNZLQNX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@@H](C)[C@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000358055727 276243479 /nfs/dbraw/zinc/24/34/79/276243479.db2.gz CGTQMTSNNZLQNX-VQIMIIECSA-N 2 1 303.494 2.957 20 0 DFADMP C[C@@](C[NH3+])([NH2+]CCc1nc(-c2ccc(Cl)cc2)no1)C1CC1 ZINC000430591644 429699041 /nfs/dbraw/zinc/69/90/41/429699041.db2.gz KXASARHUKQWILU-INIZCTEOSA-N 2 1 320.824 2.650 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000430573761 429693848 /nfs/dbraw/zinc/69/38/48/429693848.db2.gz HXKYFFLNRHURID-RDJZCZTQSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)NCCCC2CCCCC2)C1 ZINC000430573761 429693853 /nfs/dbraw/zinc/69/38/53/429693853.db2.gz HXKYFFLNRHURID-RDJZCZTQSA-N 2 1 309.498 2.522 20 0 DFADMP CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000362485915 276358596 /nfs/dbraw/zinc/35/85/96/276358596.db2.gz HPFXFPNDBPSLGS-INIZCTEOSA-N 2 1 321.509 2.584 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccc(Cl)cc1F)CC(C)(C)C[NH3+] ZINC000430578074 429697051 /nfs/dbraw/zinc/69/70/51/429697051.db2.gz DEWBBWXTXDVWGN-UHFFFAOYSA-N 2 1 315.820 2.724 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cs1 ZINC000294371228 276378022 /nfs/dbraw/zinc/37/80/22/276378022.db2.gz BHZABAQVGVIMLO-HNNXBMFYSA-N 2 1 323.506 2.545 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(OC)nc2C)[C@H](C)C1 ZINC000359227486 276399237 /nfs/dbraw/zinc/39/92/37/276399237.db2.gz LKFAEHXBTXTNPV-PBHICJAKSA-N 2 1 305.466 2.869 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)cc(OC)nc2C)[C@H](C)C1 ZINC000359227486 276399239 /nfs/dbraw/zinc/39/92/39/276399239.db2.gz LKFAEHXBTXTNPV-PBHICJAKSA-N 2 1 305.466 2.869 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)cc(OC)nc2C)[C@H](C)C1 ZINC000359227486 276399241 /nfs/dbraw/zinc/39/92/41/276399241.db2.gz LKFAEHXBTXTNPV-PBHICJAKSA-N 2 1 305.466 2.869 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)cc(OC)nc2C)[C@H](C)C1 ZINC000359227486 276399244 /nfs/dbraw/zinc/39/92/44/276399244.db2.gz LKFAEHXBTXTNPV-PBHICJAKSA-N 2 1 305.466 2.869 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000430600125 429701912 /nfs/dbraw/zinc/70/19/12/429701912.db2.gz ABKKQVNGZQXHFU-GFCCVEGCSA-N 2 1 320.824 2.603 20 0 DFADMP Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(C[NH3+])CC2)c(Cl)c1 ZINC000430626765 429702662 /nfs/dbraw/zinc/70/26/62/429702662.db2.gz MDWCJTFLJKQZAM-CYBMUJFWSA-N 2 1 323.868 2.955 20 0 DFADMP CCCC[NH+]1CCC(Nc2cc(C(C)C)[nH+]c(N(C)C)n2)CC1 ZINC000462371211 429704993 /nfs/dbraw/zinc/70/49/93/429704993.db2.gz PZRNQTNXFVITKO-UHFFFAOYSA-N 2 1 319.497 3.342 20 0 DFADMP CCn1cnnc1[C@@H]1CCC[N@@H+](CCCc2ccc(C)nc2)C1 ZINC000526971437 429712404 /nfs/dbraw/zinc/71/24/04/429712404.db2.gz HBXUBMFSUGUCIV-QGZVFWFLSA-N 2 1 313.449 2.814 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)[C@H](C)[C@@H]([NH3+])c2ccccc2)C[C@H]1C ZINC000430797355 429717791 /nfs/dbraw/zinc/71/77/91/429717791.db2.gz OMTBLZVFQZNEEQ-XYVMCAHJSA-N 2 1 317.477 2.654 20 0 DFADMP CC(C)[C@H](O)C[N@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000367795452 429719110 /nfs/dbraw/zinc/71/91/10/429719110.db2.gz VVKLEUDWEBPVOP-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CCC[C@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000367795452 429719115 /nfs/dbraw/zinc/71/91/15/429719115.db2.gz VVKLEUDWEBPVOP-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H](O)C[NH+]1CCC[C@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000367795452 429719121 /nfs/dbraw/zinc/71/91/21/429719121.db2.gz VVKLEUDWEBPVOP-RBUKOAKNSA-N 2 1 304.478 2.990 20 0 DFADMP C[C@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[C@@H]([NH3+])c1ccccc1 ZINC000430894317 429722043 /nfs/dbraw/zinc/72/20/43/429722043.db2.gz MKVWXEHDEHSVGE-UIBIWLFHSA-N 2 1 317.477 2.702 20 0 DFADMP C[NH2+]C1CC[NH+](CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000430969821 429731190 /nfs/dbraw/zinc/73/11/90/429731190.db2.gz GUTFOXGTWUKHOK-UHFFFAOYSA-N 2 1 320.824 2.616 20 0 DFADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430966840 429732169 /nfs/dbraw/zinc/73/21/69/429732169.db2.gz QGSYXQCQFSLLQC-NSHDSACASA-N 2 1 320.234 2.778 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000430966840 429732172 /nfs/dbraw/zinc/73/21/72/429732172.db2.gz QGSYXQCQFSLLQC-NSHDSACASA-N 2 1 320.234 2.778 20 0 DFADMP CNC(=O)CC[C@@H]1CCCC[N@H+]1C[C@H]1CCCCN1C(C)C ZINC000450993395 429746968 /nfs/dbraw/zinc/74/69/68/429746968.db2.gz VRQMJDFYVYWZMX-DLBZAZTESA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccccc1 ZINC000484833868 429742938 /nfs/dbraw/zinc/74/29/38/429742938.db2.gz HSRKCWBWCKVZSU-LULLPPNCSA-N 2 1 302.462 2.927 20 0 DFADMP CCOC(=O)CCC[N@@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432107751 429800792 /nfs/dbraw/zinc/80/07/92/429800792.db2.gz CGFPIMQHBQAHKD-HNNXBMFYSA-N 2 1 319.449 2.660 20 0 DFADMP CCOC(=O)CCC[N@H+]1CC[C@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000432107751 429800796 /nfs/dbraw/zinc/80/07/96/429800796.db2.gz CGFPIMQHBQAHKD-HNNXBMFYSA-N 2 1 319.449 2.660 20 0 DFADMP CSC1(C[NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCC1 ZINC000367955346 429752436 /nfs/dbraw/zinc/75/24/36/429752436.db2.gz HWWAUVPZYOQRTP-OAHLLOKOSA-N 2 1 320.506 2.938 20 0 DFADMP COc1ccc2c(c1F)CC[C@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000368010179 429764279 /nfs/dbraw/zinc/76/42/79/429764279.db2.gz ZDKDYUOSIKXYJN-SWLSCSKDSA-N 2 1 315.392 2.870 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@H+]1C)c1cccs1 ZINC000431572250 429770634 /nfs/dbraw/zinc/77/06/34/429770634.db2.gz SRYZOBFPMJPOQA-CABCVRRESA-N 2 1 323.506 2.732 20 0 DFADMP CCOc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(F)cc1OC ZINC000527682452 429778807 /nfs/dbraw/zinc/77/88/07/429778807.db2.gz HDSYTRAGDSJMOR-UHFFFAOYSA-N 2 1 308.397 2.585 20 0 DFADMP COc1cccc(C[C@H]([NH2+][C@H]2CCc3[nH]cnc3C2)C2CC2)c1 ZINC000368103686 429789055 /nfs/dbraw/zinc/78/90/55/429789055.db2.gz XXDCHNMAAJXODD-YJBOKZPZSA-N 2 1 311.429 2.887 20 0 DFADMP COc1ccc([C@@H](C)[NH2+][C@@H]2CCc3[nH]cnc3C2)c(OC)c1 ZINC000368105170 429789330 /nfs/dbraw/zinc/78/93/30/429789330.db2.gz OUCSCUKVGBNOCH-VXGBXAGGSA-N 2 1 301.390 2.635 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368133475 429795653 /nfs/dbraw/zinc/79/56/53/429795653.db2.gz UUYRZMAZWNAYHG-CYBMUJFWSA-N 2 1 301.438 2.598 20 0 DFADMP C[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000368133475 429795656 /nfs/dbraw/zinc/79/56/56/429795656.db2.gz UUYRZMAZWNAYHG-CYBMUJFWSA-N 2 1 301.438 2.598 20 0 DFADMP CC[N@H+](CC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1)C1CC1 ZINC000368568214 429868370 /nfs/dbraw/zinc/86/83/70/429868370.db2.gz CNMTYGILTAIBOT-INIZCTEOSA-N 2 1 318.465 2.654 20 0 DFADMP CC[N@@H+](CC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1)C1CC1 ZINC000368568214 429868373 /nfs/dbraw/zinc/86/83/73/429868373.db2.gz CNMTYGILTAIBOT-INIZCTEOSA-N 2 1 318.465 2.654 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)[C@H]1CC12CC2 ZINC000527886533 429815409 /nfs/dbraw/zinc/81/54/09/429815409.db2.gz KYJLESPCABVMNC-JCGIZDLHSA-N 2 1 300.446 2.531 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@H+]([C@@H]3C[C@H]3c3ccccc3)C2)CC1 ZINC000368260275 429817327 /nfs/dbraw/zinc/81/73/27/429817327.db2.gz IXIRMPQOPYOJQR-YSIASYRMSA-N 2 1 313.489 2.502 20 0 DFADMP CSc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000432353493 429817487 /nfs/dbraw/zinc/81/74/87/429817487.db2.gz MFRWMOZZLLPAPB-OAHLLOKOSA-N 2 1 308.491 2.999 20 0 DFADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)CC1CCOCC1 ZINC000432369122 429817627 /nfs/dbraw/zinc/81/76/27/429817627.db2.gz PFDZWGGNSDNMIQ-SJORKVTESA-N 2 1 312.498 2.530 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2cc3c(cccc3F)[nH]2)CCCO1 ZINC000432351377 429817848 /nfs/dbraw/zinc/81/78/48/429817848.db2.gz LYUNUEIYCHDFAF-AWEZNQCLSA-N 2 1 319.424 2.898 20 0 DFADMP C[C@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)CC1CCOCC1 ZINC000432369119 429818045 /nfs/dbraw/zinc/81/80/45/429818045.db2.gz PFDZWGGNSDNMIQ-DLBZAZTESA-N 2 1 312.498 2.530 20 0 DFADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432411014 429822231 /nfs/dbraw/zinc/82/22/31/429822231.db2.gz UPWVMBBRJIBSTI-YESZJQIVSA-N 2 1 312.498 2.669 20 0 DFADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C1(C)C ZINC000432411014 429822234 /nfs/dbraw/zinc/82/22/34/429822234.db2.gz UPWVMBBRJIBSTI-YESZJQIVSA-N 2 1 312.498 2.669 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCCO1 ZINC000432422205 429822670 /nfs/dbraw/zinc/82/26/70/429822670.db2.gz SKQYPIJMWJTPBK-KSSFIOAISA-N 2 1 322.880 2.898 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@H]2Cc3ccc(Cl)cc3C2)CCCO1 ZINC000432422205 429822672 /nfs/dbraw/zinc/82/26/72/429822672.db2.gz SKQYPIJMWJTPBK-KSSFIOAISA-N 2 1 322.880 2.898 20 0 DFADMP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000527946600 429825077 /nfs/dbraw/zinc/82/50/77/429825077.db2.gz HTWWGODESYKUGI-IBGZPJMESA-N 2 1 305.510 2.857 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@]2(C)OC(C)C)[C@@H](C)C1 ZINC000527998364 429833598 /nfs/dbraw/zinc/83/35/98/429833598.db2.gz MFGONXWPTUADEO-MLHJIOFPSA-N 2 1 312.498 2.669 20 0 DFADMP C[C@@H]1[C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@@H]1c1ccccc1 ZINC000368355579 429836645 /nfs/dbraw/zinc/83/66/45/429836645.db2.gz XWSWFDJPOBSKPN-IHPCNDPISA-N 2 1 315.505 2.796 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]C2CCC(c3nc(C)no3)CC2)C1 ZINC000368369022 429837950 /nfs/dbraw/zinc/83/79/50/429837950.db2.gz GPAGJAMACVJAJJ-QQFBHYJXSA-N 2 1 306.454 2.726 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]CC3COC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000528032311 429840735 /nfs/dbraw/zinc/84/07/35/429840735.db2.gz ZXFQHWGXTQFKAD-FHWLQOOXSA-N 2 1 300.446 2.666 20 0 DFADMP Cc1c[nH+]cn1Cc1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000528073781 429845092 /nfs/dbraw/zinc/84/50/92/429845092.db2.gz KKOISCXKRQBHCT-UHFFFAOYSA-N 2 1 323.400 2.886 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@@H]1[NH2+]CCCC1CCOCC1 ZINC000368492626 429858064 /nfs/dbraw/zinc/85/80/64/429858064.db2.gz CYUADWLVFJYELE-NEWSRXKRSA-N 2 1 324.509 2.672 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000368530629 429863233 /nfs/dbraw/zinc/86/32/33/429863233.db2.gz OHERSOXMCNXQFC-QFBILLFUSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000368530629 429863235 /nfs/dbraw/zinc/86/32/35/429863235.db2.gz OHERSOXMCNXQFC-QFBILLFUSA-N 2 1 312.461 2.983 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC12CC2 ZINC000527848520 429809997 /nfs/dbraw/zinc/80/99/97/429809997.db2.gz KKOIUZJRQAVUEG-LPHOPBHVSA-N 2 1 313.489 2.712 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H](C)[C@@H]3CC34CC4)CC2)nc(C)[nH+]1 ZINC000527866469 429811356 /nfs/dbraw/zinc/81/13/56/429811356.db2.gz IIPCUHNPNWICMZ-BBRMVZONSA-N 2 1 300.450 2.840 20 0 DFADMP COC[C@H](C)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000368235190 429815005 /nfs/dbraw/zinc/81/50/05/429815005.db2.gz NSRQHBXVQZPWFA-DSLXNQLJSA-N 2 1 302.462 2.912 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1C[C@@H](c2ccsc2)[C@H](CO)C1 ZINC000368625185 429880521 /nfs/dbraw/zinc/88/05/21/429880521.db2.gz QDEVFZWRDMJIJH-ULQDDVLXSA-N 2 1 308.491 2.630 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)C[C@H](C)NC(=O)OC(C)(C)C)C1 ZINC000494555959 429880733 /nfs/dbraw/zinc/88/07/33/429880733.db2.gz SMMGORSVYHGWNK-QLFBSQMISA-N 2 1 313.486 2.610 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000528478083 429891728 /nfs/dbraw/zinc/89/17/28/429891728.db2.gz SOWLFRGYLSSENJ-QZTJIDSGSA-N 2 1 308.441 2.799 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000528512751 429894999 /nfs/dbraw/zinc/89/49/99/429894999.db2.gz NFUQFHJHFJHENZ-OALUTQOASA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000528512751 429895000 /nfs/dbraw/zinc/89/50/00/429895000.db2.gz NFUQFHJHFJHENZ-OALUTQOASA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000528512751 429895002 /nfs/dbraw/zinc/89/50/02/429895002.db2.gz NFUQFHJHFJHENZ-OALUTQOASA-N 2 1 320.452 2.801 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1)[NH+]1CCCC1 ZINC000369144306 429915361 /nfs/dbraw/zinc/91/53/61/429915361.db2.gz OCVRWSVNOHTOMQ-YESZJQIVSA-N 2 1 304.482 2.910 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCCC1 ZINC000573101149 429926546 /nfs/dbraw/zinc/92/65/46/429926546.db2.gz INCNPXSZGNCGRZ-GOSISDBHSA-N 2 1 304.478 2.834 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCc4cnccn4)C3)C2)cc1 ZINC000639641511 429927736 /nfs/dbraw/zinc/92/77/36/429927736.db2.gz KNNICOBTYJWAAG-FQEVSTJZSA-N 2 1 322.456 2.617 20 0 DFADMP c1ccc(C[NH+]2CC[C@]3(CC[N@H+](CCc4cnccn4)C3)C2)cc1 ZINC000639641511 429927742 /nfs/dbraw/zinc/92/77/42/429927742.db2.gz KNNICOBTYJWAAG-FQEVSTJZSA-N 2 1 322.456 2.617 20 0 DFADMP c1ccc(C[N@H+]2CC[C@]3(CC[NH+](CCc4cnccn4)C3)C2)cc1 ZINC000639641511 429927744 /nfs/dbraw/zinc/92/77/44/429927744.db2.gz KNNICOBTYJWAAG-FQEVSTJZSA-N 2 1 322.456 2.617 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@]3(CC[NH+](CCc4cnccn4)C3)C2)cc1 ZINC000639641511 429927748 /nfs/dbraw/zinc/92/77/48/429927748.db2.gz KNNICOBTYJWAAG-FQEVSTJZSA-N 2 1 322.456 2.617 20 0 DFADMP CCOCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368578434 429871770 /nfs/dbraw/zinc/87/17/70/429871770.db2.gz NAKJDTGBMUCHLP-GVDBMIGSSA-N 2 1 312.498 2.528 20 0 DFADMP C[C@H](C[C@@H](C)[NH2+]C[C@@H]1CCC[N@@H+](C)C1)NC(=O)OC(C)(C)C ZINC000494467952 429875402 /nfs/dbraw/zinc/87/54/02/429875402.db2.gz GYHQOSIUILRGTA-KFWWJZLASA-N 2 1 313.486 2.610 20 0 DFADMP C[N@@H+](CCN1CC[NH+](C)[C@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000639744914 429964824 /nfs/dbraw/zinc/96/48/24/429964824.db2.gz APIQXNOYWJHEIU-SFHVURJKSA-N 2 1 303.494 2.781 20 0 DFADMP C[NH+](CCN1CC[N@H+](C)[C@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000639744914 429964828 /nfs/dbraw/zinc/96/48/28/429964828.db2.gz APIQXNOYWJHEIU-SFHVURJKSA-N 2 1 303.494 2.781 20 0 DFADMP C[NH+](CCN1CC[N@@H+](C)[C@H](C(C)(C)C)C1)Cc1ccccc1 ZINC000639744914 429964829 /nfs/dbraw/zinc/96/48/29/429964829.db2.gz APIQXNOYWJHEIU-SFHVURJKSA-N 2 1 303.494 2.781 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CC[NH2+]CC2)C3)cc1 ZINC000573593201 429964992 /nfs/dbraw/zinc/96/49/92/429964992.db2.gz IVJAGLGCINQKCB-OWZKRDHZSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(CN2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC2CC[NH2+]CC2)C3)cc1 ZINC000573593201 429964996 /nfs/dbraw/zinc/96/49/96/429964996.db2.gz IVJAGLGCINQKCB-OWZKRDHZSA-N 2 1 313.489 2.771 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3cccc4c3CCOC4)C2)CC1 ZINC000639759013 429972833 /nfs/dbraw/zinc/97/28/33/429972833.db2.gz ZSHKFQAQDTUERC-UHFFFAOYSA-N 2 1 300.446 2.677 20 0 DFADMP C[NH+](C)C[C@@]1(O)CCC[N@@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000639766022 429973490 /nfs/dbraw/zinc/97/34/90/429973490.db2.gz LGAYSEAPYKQRIP-MSOLQXFVSA-N 2 1 306.425 2.592 20 0 DFADMP C[NH+](C)C[C@@]1(O)CCC[N@H+]([C@@H]2CCCc3ccc(F)cc32)C1 ZINC000639766022 429973494 /nfs/dbraw/zinc/97/34/94/429973494.db2.gz LGAYSEAPYKQRIP-MSOLQXFVSA-N 2 1 306.425 2.592 20 0 DFADMP COc1ccc(C[N@@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1O ZINC000573689583 429973745 /nfs/dbraw/zinc/97/37/45/429973745.db2.gz MKWBNQKCKOCXMI-UHFFFAOYSA-N 2 1 312.413 2.679 20 0 DFADMP CCc1[nH+]c2ccccc2c(N2CC[N@@H+]3CCOC[C@H]3C2)c1C ZINC000557470678 429940359 /nfs/dbraw/zinc/94/03/59/429940359.db2.gz XHWDCDXNCBMXPC-OAHLLOKOSA-N 2 1 311.429 2.626 20 0 DFADMP CO[C@H](C[N@H+]1CCCN(c2cc[nH+]cc2)CC1)C1CCCC1 ZINC000639683686 429946120 /nfs/dbraw/zinc/94/61/20/429946120.db2.gz LQHMMABBBHUESS-GOSISDBHSA-N 2 1 303.450 2.799 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCC2=O)cc1 ZINC000369447141 429947973 /nfs/dbraw/zinc/94/79/73/429947973.db2.gz ZZIBOPVFRDRGPM-HOCLYGCPSA-N 2 1 324.428 2.676 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)CCC[C@@H](C)O)C2)s1 ZINC000574330390 430031164 /nfs/dbraw/zinc/03/11/64/430031164.db2.gz UDNOKAHOGKJFAV-GDBMZVCRSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)CCC[C@@H](C)O)C2)s1 ZINC000574330390 430031170 /nfs/dbraw/zinc/03/11/70/430031170.db2.gz UDNOKAHOGKJFAV-GDBMZVCRSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)CCC[C@@H](C)O)C2)s1 ZINC000574330390 430031175 /nfs/dbraw/zinc/03/11/75/430031175.db2.gz UDNOKAHOGKJFAV-GDBMZVCRSA-N 2 1 310.507 2.971 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccc2cc[nH]c2c1)C1CC[NH+](C)CC1 ZINC000529567983 430031774 /nfs/dbraw/zinc/03/17/74/430031774.db2.gz YRGCXLCAYMJEAP-UHFFFAOYSA-N 2 1 314.477 2.626 20 0 DFADMP COCC[N@@H+](C)CC[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1 ZINC000574415137 430039792 /nfs/dbraw/zinc/03/97/92/430039792.db2.gz SYQLFIOYRAXBRH-OTWHNJEPSA-N 2 1 319.493 2.556 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573844487 429987873 /nfs/dbraw/zinc/98/78/73/429987873.db2.gz YWSURDGVLROFSY-KZNAEPCWSA-N 2 1 300.446 2.687 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000573844487 429987877 /nfs/dbraw/zinc/98/78/77/429987877.db2.gz YWSURDGVLROFSY-KZNAEPCWSA-N 2 1 300.446 2.687 20 0 DFADMP C[C@@H](O)[C@@H](C)[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000573835864 429988002 /nfs/dbraw/zinc/98/80/02/429988002.db2.gz YPDIQYFIASDNRT-HUUCEWRRSA-N 2 1 302.418 2.771 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000631748574 429988943 /nfs/dbraw/zinc/98/89/43/429988943.db2.gz HQZPWVVVWRXXTJ-LJQANCHMSA-N 2 1 313.489 2.786 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](NC3CC[NH+](C4CC4)CC3)C2)cc1 ZINC000631748574 429988947 /nfs/dbraw/zinc/98/89/47/429988947.db2.gz HQZPWVVVWRXXTJ-LJQANCHMSA-N 2 1 313.489 2.786 20 0 DFADMP CC[NH+]1CCC(N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)CC1 ZINC000631748452 429989009 /nfs/dbraw/zinc/98/90/09/429989009.db2.gz GFFBZCZIKAUXBX-LJQANCHMSA-N 2 1 301.478 2.643 20 0 DFADMP C[C@H]1CC[N@H+](CCCc2c[nH+]cn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000573931009 429996324 /nfs/dbraw/zinc/99/63/24/429996324.db2.gz IDEPQWOZWSYCSF-GOEBONIOSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@H]1CC[N@@H+](CCCc2c[nH+]cn2C)C[C@H]1C(=O)OC(C)(C)C ZINC000573931009 429996326 /nfs/dbraw/zinc/99/63/26/429996326.db2.gz IDEPQWOZWSYCSF-GOEBONIOSA-N 2 1 321.465 2.652 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000574032809 430004830 /nfs/dbraw/zinc/00/48/30/430004830.db2.gz WSFHGLZNPGHOIC-IEBWSBKVSA-N 2 1 304.478 2.834 20 0 DFADMP Cc1c[nH+]cn1CC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000529469969 430010140 /nfs/dbraw/zinc/01/01/40/430010140.db2.gz USHJXNHXMADEKN-UHFFFAOYSA-N 2 1 320.481 2.551 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@@H]1CC[N@H+](C(C)C)C1)C2 ZINC000561976896 430102609 /nfs/dbraw/zinc/10/26/09/430102609.db2.gz VVDHWBYHCRHFFB-DOTOQJQBSA-N 2 1 302.462 2.872 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000530220930 430106087 /nfs/dbraw/zinc/10/60/87/430106087.db2.gz KQQYHZKVSOUBDV-BHIYHBOVSA-N 2 1 320.452 2.847 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCOC(C)(C)C3)C2)nc(C)[nH+]1 ZINC000634681880 430075014 /nfs/dbraw/zinc/07/50/14/430075014.db2.gz AEBROEJPCLIABR-HZPDHXFCSA-N 2 1 318.465 2.609 20 0 DFADMP CC1(C)C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000634681160 430075362 /nfs/dbraw/zinc/07/53/62/430075362.db2.gz JQFYEWULPKZAEV-INIZCTEOSA-N 2 1 310.482 2.569 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCOC(C)(C)C3)C2)nc(C)[nH+]1 ZINC000634681879 430076002 /nfs/dbraw/zinc/07/60/02/430076002.db2.gz AEBROEJPCLIABR-HOTGVXAUSA-N 2 1 318.465 2.609 20 0 DFADMP C[NH+](C)CCCCC(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1 ZINC000561192082 430079918 /nfs/dbraw/zinc/07/99/18/430079918.db2.gz LYNPFKFQJRKSSC-UHFFFAOYSA-N 2 1 317.477 2.994 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCCC(F)(F)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000634708787 430086629 /nfs/dbraw/zinc/08/66/29/430086629.db2.gz ZFTKYANTQUIKDD-DLBZAZTESA-N 2 1 324.415 2.791 20 0 DFADMP O[C@@]1(C[NH2+][C@H]2CCCC(F)(F)C2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634708787 430086631 /nfs/dbraw/zinc/08/66/31/430086631.db2.gz ZFTKYANTQUIKDD-DLBZAZTESA-N 2 1 324.415 2.791 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000580778266 430151573 /nfs/dbraw/zinc/15/15/73/430151573.db2.gz HNWRRJWBAYSIGB-UHFFFAOYSA-N 2 1 320.387 2.711 20 0 DFADMP C[C@@H](C(=O)Nc1ccc2c(c1)CC[C@@H]2[NH+](C)C)[NH+]1CC(C)C1 ZINC000580845236 430157380 /nfs/dbraw/zinc/15/73/80/430157380.db2.gz XIEQHBIGYVQULV-GUYCJALGSA-N 2 1 301.434 2.514 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](CO)c1ccccc1 ZINC000562675336 430164299 /nfs/dbraw/zinc/16/42/99/430164299.db2.gz AQJNYKSUTPTKQT-LJQANCHMSA-N 2 1 322.412 2.741 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@H](CO)c1ccccc1 ZINC000562675336 430164302 /nfs/dbraw/zinc/16/43/02/430164302.db2.gz AQJNYKSUTPTKQT-LJQANCHMSA-N 2 1 322.412 2.741 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2ccncc2)cc1 ZINC000581019690 430170867 /nfs/dbraw/zinc/17/08/67/430170867.db2.gz MLMOCFZKAKOHRJ-CRAIPNDOSA-N 2 1 311.429 2.972 20 0 DFADMP Cc1c([C@H](C)NC[C@H]2CCC[N@@H+](C)C2)nnn1-c1ccccc1 ZINC000562316865 430119171 /nfs/dbraw/zinc/11/91/71/430119171.db2.gz HESQUBIKQUBMSC-GOEBONIOSA-N 2 1 313.449 2.568 20 0 DFADMP C[N@H+](CCNc1cc[nH+]c(N2CCCCC2)n1)C1CCCCC1 ZINC000579782973 430127688 /nfs/dbraw/zinc/12/76/88/430127688.db2.gz OEERGJSDKPIKJJ-UHFFFAOYSA-N 2 1 317.481 3.143 20 0 DFADMP C[N@@H+](CCNc1cc[nH+]c(N2CCCCC2)n1)C1CCCCC1 ZINC000579782973 430127691 /nfs/dbraw/zinc/12/76/91/430127691.db2.gz OEERGJSDKPIKJJ-UHFFFAOYSA-N 2 1 317.481 3.143 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000637807242 430134727 /nfs/dbraw/zinc/13/47/27/430134727.db2.gz FEQKKBMJTGDVDE-SFHVURJKSA-N 2 1 323.440 2.867 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC2CC[NH2+]CC2)cc1)C(C)C ZINC000580562584 430135316 /nfs/dbraw/zinc/13/53/16/430135316.db2.gz QEDVWGPSTOPEIL-UHFFFAOYSA-N 2 1 317.477 2.646 20 0 DFADMP OCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCc2ccccc21 ZINC000580654764 430141805 /nfs/dbraw/zinc/14/18/05/430141805.db2.gz YQSMGACTNYYBBM-NRFANRHFSA-N 2 1 322.452 2.814 20 0 DFADMP OCC[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC000580654767 430142954 /nfs/dbraw/zinc/14/29/54/430142954.db2.gz YQSMGACTNYYBBM-OAQYLSRUSA-N 2 1 322.452 2.814 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000580702064 430145453 /nfs/dbraw/zinc/14/54/53/430145453.db2.gz VVNRIMOUAKWSEL-LSDHHAIUSA-N 2 1 315.461 2.954 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634993209 430185086 /nfs/dbraw/zinc/18/50/86/430185086.db2.gz NMCBPMNLMZLVRL-IVMQYODDSA-N 2 1 305.510 2.715 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCCc4ccccc43)CC2)C1 ZINC000369353293 277053705 /nfs/dbraw/zinc/05/37/05/277053705.db2.gz BXGYTPRHJFDRHS-UYAOXDASSA-N 2 1 313.489 2.776 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1 ZINC000634997289 430187159 /nfs/dbraw/zinc/18/71/59/430187159.db2.gz IDHNQGSHFCFQBQ-UGFHNGPFSA-N 2 1 316.367 2.859 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000162822920 277068674 /nfs/dbraw/zinc/06/86/74/277068674.db2.gz JKORVIJPGZBFLN-PVAVHDDUSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000162822920 277068675 /nfs/dbraw/zinc/06/86/75/277068675.db2.gz JKORVIJPGZBFLN-PVAVHDDUSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H](O)c3ccc(Cl)cc3)CC[C@@H]21 ZINC000162822920 277068676 /nfs/dbraw/zinc/06/86/76/277068676.db2.gz JKORVIJPGZBFLN-PVAVHDDUSA-N 2 1 308.853 2.790 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(-c2ccc(N)cc2)n1 ZINC000634995404 430187362 /nfs/dbraw/zinc/18/73/62/430187362.db2.gz CWSUTMZROPOBIY-SFHVURJKSA-N 2 1 310.445 2.809 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000635004607 430194627 /nfs/dbraw/zinc/19/46/27/430194627.db2.gz PVSBKVMHAZPYTN-LMMKCTJWSA-N 3 1 303.494 2.862 20 0 DFADMP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000635004607 430194630 /nfs/dbraw/zinc/19/46/30/430194630.db2.gz PVSBKVMHAZPYTN-LMMKCTJWSA-N 2 1 303.494 2.862 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1ccc(Br)cn1 ZINC000581220204 430188068 /nfs/dbraw/zinc/18/80/68/430188068.db2.gz CLRDKMOLSFCBCG-KOLCDFICSA-N 2 1 321.222 2.775 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@H]1C[NH3+] ZINC000634998644 430188588 /nfs/dbraw/zinc/18/85/88/430188588.db2.gz IZJLICAZIYMJNS-JSGCOSHPSA-N 2 1 304.825 2.552 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCc3c2c(F)ccc3F)CC1(C)C ZINC000282267044 277106455 /nfs/dbraw/zinc/10/64/55/277106455.db2.gz KFPQCNHLHBWFBV-MRXNPFEDSA-N 2 1 323.431 2.568 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1(C)C ZINC000282443839 277106574 /nfs/dbraw/zinc/10/65/74/277106574.db2.gz SBNKORSFLRBVTM-MOPGFXCFSA-N 2 1 315.505 2.938 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634998312 430189808 /nfs/dbraw/zinc/18/98/08/430189808.db2.gz DBLPUJCUPODLMY-WFASDCNBSA-N 2 1 316.424 2.655 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999002 430190770 /nfs/dbraw/zinc/19/07/70/430190770.db2.gz OLHLFSMCYSJXIS-JSGCOSHPSA-N 2 1 318.852 2.861 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NCCC(C)(C)C ZINC000640533985 430190982 /nfs/dbraw/zinc/19/09/82/430190982.db2.gz YWDZEVNXHCPXBM-UHFFFAOYSA-N 2 1 311.514 2.737 20 0 DFADMP C[C@@H](C(=O)Nc1nccs1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533824 430191361 /nfs/dbraw/zinc/19/13/61/430191361.db2.gz WQYSPNVBLLQDIJ-AWEZNQCLSA-N 2 1 324.494 2.668 20 0 DFADMP C[C@@H](C(=O)Nc1nccs1)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640533824 430191362 /nfs/dbraw/zinc/19/13/62/430191362.db2.gz WQYSPNVBLLQDIJ-AWEZNQCLSA-N 2 1 324.494 2.668 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000635002971 430191403 /nfs/dbraw/zinc/19/14/03/430191403.db2.gz CSRKHEKPSLYECV-LULLPPNCSA-N 2 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000635002971 430191406 /nfs/dbraw/zinc/19/14/06/430191406.db2.gz CSRKHEKPSLYECV-LULLPPNCSA-N 3 1 301.478 2.614 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000635002971 430191409 /nfs/dbraw/zinc/19/14/09/430191409.db2.gz CSRKHEKPSLYECV-LULLPPNCSA-N 3 1 301.478 2.614 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CC(=O)NC1CCCCC1 ZINC000640530980 430192010 /nfs/dbraw/zinc/19/20/10/430192010.db2.gz KKENHFQZQIXRDX-UHFFFAOYSA-N 2 1 309.498 2.633 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)CCC(=O)NC1CCCC1 ZINC000640530987 430192518 /nfs/dbraw/zinc/19/25/18/430192518.db2.gz KULMCTDTPNBOSK-UHFFFAOYSA-N 2 1 309.498 2.633 20 0 DFADMP C[C@@H](C[C@H]1CCCCC[NH2+]1)NCc1cccc2c1CC[NH2+]C2 ZINC000635006094 430193433 /nfs/dbraw/zinc/19/34/33/430193433.db2.gz XLSAUZYLLUMSCT-MAUKXSAKSA-N 2 1 301.478 2.733 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCCCC[C@H]3[NH3+])C2)cc1 ZINC000635013012 430198011 /nfs/dbraw/zinc/19/80/11/430198011.db2.gz PVLLVDRAGONFQS-IPMKNSEASA-N 2 1 301.478 2.819 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCCCC[C@H]3[NH3+])C2)cc1 ZINC000635013012 430198013 /nfs/dbraw/zinc/19/80/13/430198013.db2.gz PVLLVDRAGONFQS-IPMKNSEASA-N 2 1 301.478 2.819 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000635013686 430198330 /nfs/dbraw/zinc/19/83/30/430198330.db2.gz VCKWLSNCPAEJGK-CEXWTWQISA-N 2 1 301.478 2.676 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCCC[C@@H]3C[NH3+])C2)cc1 ZINC000635013686 430198332 /nfs/dbraw/zinc/19/83/32/430198332.db2.gz VCKWLSNCPAEJGK-CEXWTWQISA-N 2 1 301.478 2.676 20 0 DFADMP CC(C)(C)n1cc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cn1 ZINC000261639111 277284649 /nfs/dbraw/zinc/28/46/49/277284649.db2.gz GBLWKAQVTKAQOF-MSOLQXFVSA-N 2 1 312.461 2.812 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)C[C@H]3C[C@@H](O)C3)C2)s1 ZINC000581432293 430208199 /nfs/dbraw/zinc/20/81/99/430208199.db2.gz QPHCKJDTZSNVIB-HRCADAONSA-N 2 1 308.491 2.581 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H]3C[C@@H](O)C3)C2)s1 ZINC000581432293 430208204 /nfs/dbraw/zinc/20/82/04/430208204.db2.gz QPHCKJDTZSNVIB-HRCADAONSA-N 2 1 308.491 2.581 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H]3C[C@@H](O)C3)C2)s1 ZINC000581432293 430208207 /nfs/dbraw/zinc/20/82/07/430208207.db2.gz QPHCKJDTZSNVIB-HRCADAONSA-N 2 1 308.491 2.581 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000565418695 430209974 /nfs/dbraw/zinc/20/99/74/430209974.db2.gz CQXYTGZDVZWYSR-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1CCC([N@H+](C)C[C@@H](C)O)CC1 ZINC000565418695 430209980 /nfs/dbraw/zinc/20/99/80/430209980.db2.gz CQXYTGZDVZWYSR-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP Fc1ccc(C[NH2+]CCC[NH+]2CCC2)cc1Br ZINC000581439446 430210230 /nfs/dbraw/zinc/21/02/30/430210230.db2.gz WGBUXFKIOBCODR-UHFFFAOYSA-N 2 1 301.203 2.774 20 0 DFADMP COc1cccc(C)c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000638046757 430218380 /nfs/dbraw/zinc/21/83/80/430218380.db2.gz WVCOAFWHBGRINK-INIZCTEOSA-N 2 1 320.477 2.528 20 0 DFADMP CC[C@@](C)(C[N@H+]1CCCN(Cc2nccn2C(C)C)CC1)OC ZINC000638047132 430218766 /nfs/dbraw/zinc/21/87/66/430218766.db2.gz ZBPIPLTWNUOBCB-SFHVURJKSA-N 2 1 322.497 2.787 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC ZINC000581575144 430220569 /nfs/dbraw/zinc/22/05/69/430220569.db2.gz DFAFNMGMKLNLBC-WBVHZDCISA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@@H]32)cc1OC ZINC000581575144 430220576 /nfs/dbraw/zinc/22/05/76/430220576.db2.gz DFAFNMGMKLNLBC-WBVHZDCISA-N 2 1 318.461 2.928 20 0 DFADMP COc1cc(C)c(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@@H]32)cc1OC ZINC000581575144 430220580 /nfs/dbraw/zinc/22/05/80/430220580.db2.gz DFAFNMGMKLNLBC-WBVHZDCISA-N 2 1 318.461 2.928 20 0 DFADMP CC[NH2+][C@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000638061986 430224706 /nfs/dbraw/zinc/22/47/06/430224706.db2.gz BUKNDYVJTWSQRV-HUUCEWRRSA-N 2 1 303.450 2.998 20 0 DFADMP C[N@@H+](CC1CC[NH+](C)CC1)[C@H](c1nnc[nH]1)C1CCCCC1 ZINC000638029118 430213047 /nfs/dbraw/zinc/21/30/47/430213047.db2.gz LYIPEUFUHLRUSY-INIZCTEOSA-N 2 1 305.470 2.700 20 0 DFADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2nc(C3CC3)cs2)CC1 ZINC000565530824 430217469 /nfs/dbraw/zinc/21/74/69/430217469.db2.gz TVMXBAOZANQQFO-WMLDXEAASA-N 2 1 321.490 2.739 20 0 DFADMP COc1cncc(C[N@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1C ZINC000638173283 430259161 /nfs/dbraw/zinc/25/91/61/430259161.db2.gz VFJPKOAUELXITG-XJKSGUPXSA-N 2 1 300.406 2.678 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1CN(CC[NH+](C)C)Cc1ccccn1 ZINC000566424729 430259289 /nfs/dbraw/zinc/25/92/89/430259289.db2.gz OUZOSTMJONLNSP-LJQANCHMSA-N 2 1 318.509 2.708 20 0 DFADMP COc1cccc(OC)c1C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000638175994 430261482 /nfs/dbraw/zinc/26/14/82/430261482.db2.gz BDDUMROKVHUXQM-HOCLYGCPSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000638175994 430261483 /nfs/dbraw/zinc/26/14/83/430261483.db2.gz BDDUMROKVHUXQM-HOCLYGCPSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000638175994 430261484 /nfs/dbraw/zinc/26/14/84/430261484.db2.gz BDDUMROKVHUXQM-HOCLYGCPSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cccc(OC)c1C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000638175994 430261486 /nfs/dbraw/zinc/26/14/86/430261486.db2.gz BDDUMROKVHUXQM-HOCLYGCPSA-N 2 1 304.434 2.620 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176457 430262004 /nfs/dbraw/zinc/26/20/04/430262004.db2.gz DTKQPCGIDTUCIA-QWFCFKBJSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176457 430262008 /nfs/dbraw/zinc/26/20/08/430262008.db2.gz DTKQPCGIDTUCIA-QWFCFKBJSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@H]3CCN(c4ccccc4)C3)CC[C@H]21 ZINC000638176457 430262013 /nfs/dbraw/zinc/26/20/13/430262013.db2.gz DTKQPCGIDTUCIA-QWFCFKBJSA-N 2 1 313.489 2.929 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000638174175 430262209 /nfs/dbraw/zinc/26/22/09/430262209.db2.gz KTTDYVRWSGPNMZ-KRWDZBQOSA-N 2 1 309.413 2.606 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582061937 430265191 /nfs/dbraw/zinc/26/51/91/430265191.db2.gz GZYOCXHTDVCKBX-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582061937 430265194 /nfs/dbraw/zinc/26/51/94/430265194.db2.gz GZYOCXHTDVCKBX-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP COc1ccccc1[C@H](CN[C@H]1CCC[C@@H]([NH3+])C1)[NH+]1CCCC1 ZINC000566481871 430265507 /nfs/dbraw/zinc/26/55/07/430265507.db2.gz GXWBUSJBPBQJMJ-RYRKJORJSA-N 2 1 317.477 2.692 20 0 DFADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1ccccc1 ZINC000544083339 430271864 /nfs/dbraw/zinc/27/18/64/430271864.db2.gz WAOVMJFLPBKVDN-HNNXBMFYSA-N 2 1 324.428 2.576 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000582168815 430273716 /nfs/dbraw/zinc/27/37/16/430273716.db2.gz UMRIIOXQHOXXLE-HSBZDZAISA-N 2 1 308.388 2.544 20 0 DFADMP C[C@H]([NH2+]CCC(=O)Nc1cc(F)cc(F)c1)C1=CC[N@@H+](C)CC1 ZINC000581603651 430225691 /nfs/dbraw/zinc/22/56/91/430225691.db2.gz LENNIKWKHPRJIG-LBPRGKRZSA-N 2 1 323.387 2.533 20 0 DFADMP COc1cc(C)c(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000581654652 430229320 /nfs/dbraw/zinc/22/93/20/430229320.db2.gz IRHQMWNAYNYQGL-HZPDHXFCSA-N 2 1 320.477 2.875 20 0 DFADMP CC(C)CC[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000638083895 430230501 /nfs/dbraw/zinc/23/05/01/430230501.db2.gz OWMQUSLYEAEOGA-NJAFHUGGSA-N 2 1 317.477 2.702 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@H]1CCCc1ccccc1 ZINC000581733946 430236302 /nfs/dbraw/zinc/23/63/02/430236302.db2.gz QUSDOZXPQKIZMA-RTBURBONSA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000581733946 430236307 /nfs/dbraw/zinc/23/63/07/430236307.db2.gz QUSDOZXPQKIZMA-RTBURBONSA-N 2 1 304.478 2.786 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@H]1CCCc1ccccc1 ZINC000581733946 430236311 /nfs/dbraw/zinc/23/63/11/430236311.db2.gz QUSDOZXPQKIZMA-RTBURBONSA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)[NH2+]CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000581737832 430238469 /nfs/dbraw/zinc/23/84/69/430238469.db2.gz UDAZUNLBIZDFIS-HNNXBMFYSA-N 2 1 303.450 2.998 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2ccccc2OCCCCO)CC[N@H+]1C ZINC000638118321 430241023 /nfs/dbraw/zinc/24/10/23/430241023.db2.gz XLCYVQULJSKMAW-FUHWJXTLSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@H]1C[C@H]([N@H+](C)Cc2ccccc2OCCCCO)CCN1C ZINC000638118321 430241029 /nfs/dbraw/zinc/24/10/29/430241029.db2.gz XLCYVQULJSKMAW-FUHWJXTLSA-N 2 1 320.477 2.752 20 0 DFADMP C[C@H]1C[C@H]([N@@H+](C)Cc2ccccc2OCCCCO)CCN1C ZINC000638118321 430241035 /nfs/dbraw/zinc/24/10/35/430241035.db2.gz XLCYVQULJSKMAW-FUHWJXTLSA-N 2 1 320.477 2.752 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000567747884 430287411 /nfs/dbraw/zinc/28/74/11/430287411.db2.gz CMGAWXTVDLAZBM-OKYOBFRVSA-N 2 1 302.462 2.567 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000567747884 430287414 /nfs/dbraw/zinc/28/74/14/430287414.db2.gz CMGAWXTVDLAZBM-OKYOBFRVSA-N 2 1 302.462 2.567 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000567747884 430287417 /nfs/dbraw/zinc/28/74/17/430287417.db2.gz CMGAWXTVDLAZBM-OKYOBFRVSA-N 2 1 302.462 2.567 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000567747884 430287420 /nfs/dbraw/zinc/28/74/20/430287420.db2.gz CMGAWXTVDLAZBM-OKYOBFRVSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000567802046 430290028 /nfs/dbraw/zinc/29/00/28/430290028.db2.gz REEXJIGTTFKAKH-JZXOWHBKSA-N 2 1 317.477 2.846 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@]2(OC)CCOC2)CC1)CC1CC1 ZINC000638277031 430292455 /nfs/dbraw/zinc/29/24/55/430292455.db2.gz XASNHVSKEVURQF-LJQANCHMSA-N 2 1 324.509 2.626 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638298399 430296669 /nfs/dbraw/zinc/29/66/69/430296669.db2.gz OYXDTVNQGZGLNS-PKOBYXMFSA-N 2 1 310.445 2.841 20 0 DFADMP c1cn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638298399 430296674 /nfs/dbraw/zinc/29/66/74/430296674.db2.gz OYXDTVNQGZGLNS-PKOBYXMFSA-N 2 1 310.445 2.841 20 0 DFADMP CO[C@@H](C[NH2+]CCC[N@@H+](C)C1CCCCC1)C1CCOCC1 ZINC000638300901 430297485 /nfs/dbraw/zinc/29/74/85/430297485.db2.gz LAOHVWYFXWJSHX-SFHVURJKSA-N 2 1 312.498 2.672 20 0 DFADMP C[NH+](C)C1(C[NH2+]C[C@H]2CCN(c3ccccc3)C2)CCCC1 ZINC000638308282 430300235 /nfs/dbraw/zinc/30/02/35/430300235.db2.gz UYWOZGOFZGCSHZ-QGZVFWFLSA-N 2 1 301.478 2.977 20 0 DFADMP CO[C@H](C[NH2+]C[C@H](C)Cn1cc[nH+]c1C)Cc1ccccc1 ZINC000638335893 430308613 /nfs/dbraw/zinc/30/86/13/430308613.db2.gz XMCZLUJPFBQEKS-YJBOKZPZSA-N 2 1 301.434 2.675 20 0 DFADMP C[C@@H]1CCC[C@@H]1CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000545300636 430314419 /nfs/dbraw/zinc/31/44/19/430314419.db2.gz FASSAMLHJDWIKI-HUUCEWRRSA-N 2 1 316.449 2.598 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2c(C)cccc2OC)CC1 ZINC000638361182 430317697 /nfs/dbraw/zinc/31/76/97/430317697.db2.gz YXCAFXVQNYPACD-UHFFFAOYSA-N 2 1 319.493 2.511 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000638367033 430318644 /nfs/dbraw/zinc/31/86/44/430318644.db2.gz RQGJMPKPOLJOML-ZACQAIPSSA-N 2 1 309.498 2.535 20 0 DFADMP C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1CCC[C@@H](C)C1 ZINC000638367029 430318795 /nfs/dbraw/zinc/31/87/95/430318795.db2.gz RQGJMPKPOLJOML-IKGGRYGDSA-N 2 1 309.498 2.535 20 0 DFADMP CCc1ccc([C@@H]2C[C@@H](C)CCN2C[C@H](O)C[N@H+](C)CC)o1 ZINC000568164076 430322237 /nfs/dbraw/zinc/32/22/37/430322237.db2.gz IMQYYUAJBUCKFR-UXLLHSPISA-N 2 1 308.466 2.928 20 0 DFADMP CCN(Cc1ccc2ccccc2c1)C[C@H](O)C[N@@H+](C)CC ZINC000568168304 430324092 /nfs/dbraw/zinc/32/40/92/430324092.db2.gz CXTKZLSGPCHRHB-LJQANCHMSA-N 2 1 300.446 2.974 20 0 DFADMP CCN(C)C[C@@H](O)C[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000568168304 430324096 /nfs/dbraw/zinc/32/40/96/430324096.db2.gz CXTKZLSGPCHRHB-LJQANCHMSA-N 2 1 300.446 2.974 20 0 DFADMP CCN(C)C[C@@H](O)C[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000568168304 430324099 /nfs/dbraw/zinc/32/40/99/430324099.db2.gz CXTKZLSGPCHRHB-LJQANCHMSA-N 2 1 300.446 2.974 20 0 DFADMP CC[NH+](Cc1ccc2ccccc2c1)C[C@H](O)C[N@@H+](C)CC ZINC000568168304 430324103 /nfs/dbraw/zinc/32/41/03/430324103.db2.gz CXTKZLSGPCHRHB-LJQANCHMSA-N 2 1 300.446 2.974 20 0 DFADMP CC[NH+](Cc1ccc2ccccc2c1)C[C@H](O)C[N@H+](C)CC ZINC000568168304 430324106 /nfs/dbraw/zinc/32/41/06/430324106.db2.gz CXTKZLSGPCHRHB-LJQANCHMSA-N 2 1 300.446 2.974 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](CC)Cc1ccc2ccccc2c1 ZINC000568168304 430324109 /nfs/dbraw/zinc/32/41/09/430324109.db2.gz CXTKZLSGPCHRHB-LJQANCHMSA-N 2 1 300.446 2.974 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](CC)Cc1ccc2ccccc2c1 ZINC000568168304 430324111 /nfs/dbraw/zinc/32/41/11/430324111.db2.gz CXTKZLSGPCHRHB-LJQANCHMSA-N 2 1 300.446 2.974 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1Cn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000641170107 430350975 /nfs/dbraw/zinc/35/09/75/430350975.db2.gz WBANKFLGRCZZBX-KRWDZBQOSA-N 2 1 313.449 2.667 20 0 DFADMP CCC[N@@H+](CC(=O)NC[C@H](c1ccccc1)[NH+](C)C)C(C)C ZINC000568183365 430327445 /nfs/dbraw/zinc/32/74/45/430327445.db2.gz RPHVJBHKCGWKGP-QGZVFWFLSA-N 2 1 305.466 2.526 20 0 DFADMP Cc1nnsc1C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000638435936 430342511 /nfs/dbraw/zinc/34/25/11/430342511.db2.gz ZTKCGSUAWZVAPH-UHFFFAOYSA-N 2 1 304.463 2.977 20 0 DFADMP Cc1nnsc1C[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000638435936 430342515 /nfs/dbraw/zinc/34/25/15/430342515.db2.gz ZTKCGSUAWZVAPH-UHFFFAOYSA-N 2 1 304.463 2.977 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(C[NH2+]C2CCCC2)nn1 ZINC000641168384 430351502 /nfs/dbraw/zinc/35/15/02/430351502.db2.gz DDXSJFRCIRXVKJ-QGZVFWFLSA-N 2 1 305.470 2.573 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@H](OC(C)C)c2ccccc2)CC1 ZINC000638443266 430345243 /nfs/dbraw/zinc/34/52/43/430345243.db2.gz ILNNIOWOSQWPER-IBGZPJMESA-N 2 1 320.477 2.853 20 0 DFADMP CCOc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)(C)O)CC1 ZINC000638447604 430345861 /nfs/dbraw/zinc/34/58/61/430345861.db2.gz GZIJBRRZKCHOMG-OAHLLOKOSA-N 2 1 320.477 2.971 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)CC[NH2+]C2CC2)CC1 ZINC000583640995 430414873 /nfs/dbraw/zinc/41/48/73/430414873.db2.gz ATSAEWGNYCZEFJ-MRXNPFEDSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2)C2CCCCC2)C1 ZINC000546573895 430355567 /nfs/dbraw/zinc/35/55/67/430355567.db2.gz JTVUIBRBCCUZMD-UXHICEINSA-N 2 1 316.489 2.834 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](Cc2ccccc2)C2CCCCC2)C1 ZINC000546573895 430355570 /nfs/dbraw/zinc/35/55/70/430355570.db2.gz JTVUIBRBCCUZMD-UXHICEINSA-N 2 1 316.489 2.834 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH+]ccn3C2)C12CCC2 ZINC000638495022 430358806 /nfs/dbraw/zinc/35/88/06/430358806.db2.gz DAIFBRTYKCUWPP-RBSFLKMASA-N 2 1 303.450 2.914 20 0 DFADMP C[N@H+]1CC[C@H](CC(=O)Nc2cccc(CC[NH+]3CCCC3)c2)C1 ZINC000635760371 430368136 /nfs/dbraw/zinc/36/81/36/430368136.db2.gz REPKJUSYLJZZAZ-QGZVFWFLSA-N 2 1 315.461 2.605 20 0 DFADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568531955 430369171 /nfs/dbraw/zinc/36/91/71/430369171.db2.gz UUJPJZIAZFRQNQ-YJBOKZPZSA-N 2 1 310.445 2.958 20 0 DFADMP Cc1ncncc1[C@H](C)[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568531955 430369175 /nfs/dbraw/zinc/36/91/75/430369175.db2.gz UUJPJZIAZFRQNQ-YJBOKZPZSA-N 2 1 310.445 2.958 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638722452 430417342 /nfs/dbraw/zinc/41/73/42/430417342.db2.gz QXJSOWDSRDOCLS-FUHWJXTLSA-N 2 1 300.446 2.717 20 0 DFADMP OCC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000638722452 430417344 /nfs/dbraw/zinc/41/73/44/430417344.db2.gz QXJSOWDSRDOCLS-FUHWJXTLSA-N 2 1 300.446 2.717 20 0 DFADMP COc1ccccc1-c1ncc(C[NH2+]CC2=CC[N@@H+](C)CC2)cn1 ZINC000583179981 430370077 /nfs/dbraw/zinc/37/00/77/430370077.db2.gz LXNAFFMOPIGXQW-UHFFFAOYSA-N 2 1 324.428 2.504 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)c1 ZINC000638564274 430376840 /nfs/dbraw/zinc/37/68/40/430376840.db2.gz XQFNNUPIYKZREV-MAUKXSAKSA-N 2 1 317.477 2.675 20 0 DFADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000638570842 430378495 /nfs/dbraw/zinc/37/84/95/430378495.db2.gz HRVBDHCFBUMRTK-KZNAEPCWSA-N 2 1 321.509 2.688 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCCN1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000583330410 430386481 /nfs/dbraw/zinc/38/64/81/430386481.db2.gz YQIFIHUJFCADJW-LMMKCTJWSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCCN1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000583330410 430386486 /nfs/dbraw/zinc/38/64/86/430386486.db2.gz YQIFIHUJFCADJW-LMMKCTJWSA-N 2 1 324.509 2.767 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N(C)CCCC[NH+]1CCCCC1 ZINC000641661485 430438005 /nfs/dbraw/zinc/43/80/05/430438005.db2.gz NEUPLPNWKJAIAT-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP CCCC[C@@H](CC)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000548059934 430440946 /nfs/dbraw/zinc/44/09/46/430440946.db2.gz JIMISOUZPUMGPB-OAHLLOKOSA-N 2 1 318.465 2.988 20 0 DFADMP C[N@@H+](CCC(=O)NCC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000548065065 430443181 /nfs/dbraw/zinc/44/31/81/430443181.db2.gz BZFUQHVUCFIIRA-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000569357737 430448568 /nfs/dbraw/zinc/44/85/68/430448568.db2.gz ZQJWRZOQRARZAL-VQHPVUNQSA-N 2 1 309.498 2.521 20 0 DFADMP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000569401389 430449145 /nfs/dbraw/zinc/44/91/45/430449145.db2.gz PRRJLASIUWTYQA-HUUCEWRRSA-N 2 1 309.498 2.676 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000569401388 430450597 /nfs/dbraw/zinc/45/05/97/430450597.db2.gz PRRJLASIUWTYQA-GJZGRUSLSA-N 2 1 309.498 2.676 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000584047277 430452469 /nfs/dbraw/zinc/45/24/69/430452469.db2.gz FKEZEKGTJNUVLK-MSOLQXFVSA-N 2 1 300.402 2.966 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000584121250 430461788 /nfs/dbraw/zinc/46/17/88/430461788.db2.gz GDZYPEGPPLJIOL-VQTJNVASSA-N 2 1 312.457 2.873 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)c1ccccc1 ZINC000584121250 430461792 /nfs/dbraw/zinc/46/17/92/430461792.db2.gz GDZYPEGPPLJIOL-VQTJNVASSA-N 2 1 312.457 2.873 20 0 DFADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000636110577 430463877 /nfs/dbraw/zinc/46/38/77/430463877.db2.gz DFAOOPHABGHDGJ-BPQIPLTHSA-N 2 1 319.493 2.527 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000569566623 430466592 /nfs/dbraw/zinc/46/65/92/430466592.db2.gz FBKRPDHCJQTGPR-MSOLQXFVSA-N 2 1 315.461 2.559 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc2ccc(F)c(F)c2n1 ZINC000641775101 430468294 /nfs/dbraw/zinc/46/82/94/430468294.db2.gz KXAATBZYWSARQD-UHFFFAOYSA-N 2 1 302.328 2.579 20 0 DFADMP CCC(C)(C)N1CCN(C(=O)c2ccn3cc(C)nc3c2)CC1 ZINC000636139136 430470733 /nfs/dbraw/zinc/47/07/33/430470733.db2.gz BJQNXPYTSWPQRU-UHFFFAOYSA-N 2 1 314.433 2.589 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641803403 430476053 /nfs/dbraw/zinc/47/60/53/430476053.db2.gz FKJFINSTVFEOCD-VBNZEHGJSA-N 2 1 303.450 2.852 20 0 DFADMP CC1(C)[C@H]([NH3+])C[C@@H]1[NH2+]Cc1cncc(OCc2ccccc2)c1 ZINC000641801222 430476905 /nfs/dbraw/zinc/47/69/05/430476905.db2.gz NZTHTWQUSJTWPU-MSOLQXFVSA-N 2 1 311.429 2.876 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641805352 430477614 /nfs/dbraw/zinc/47/76/14/430477614.db2.gz NDNYYCOLDNCWDS-BYCMXARLSA-N 2 1 323.868 2.575 20 0 DFADMP Cc1cccc(C(C)C)c1NC(=O)C[NH2+][C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803700 430478280 /nfs/dbraw/zinc/47/82/80/430478280.db2.gz DRHZXKUJVWUECW-HUUCEWRRSA-N 2 1 303.450 2.772 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](CCOC(C)C)CC1)CC(C)C ZINC000638730145 430419475 /nfs/dbraw/zinc/41/94/75/430419475.db2.gz SXLSUMHYUFOMBF-QGZVFWFLSA-N 2 1 300.487 2.527 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(Cl)c1)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000583740552 430424347 /nfs/dbraw/zinc/42/43/47/430424347.db2.gz YGEHTAPCOQMLPA-DOMZBBRYSA-N 2 1 309.841 2.789 20 0 DFADMP c1cc2c(cc1C[N@@H+]1CCC[C@H]([NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000583758176 430425737 /nfs/dbraw/zinc/42/57/37/430425737.db2.gz XWORZQOYRJLHHS-FQEVSTJZSA-N 3 1 313.489 2.783 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000583758176 430425739 /nfs/dbraw/zinc/42/57/39/430425739.db2.gz XWORZQOYRJLHHS-FQEVSTJZSA-N 3 1 313.489 2.783 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000583789577 430427403 /nfs/dbraw/zinc/42/74/03/430427403.db2.gz NNIDXWRHEMVVTF-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000583789577 430427408 /nfs/dbraw/zinc/42/74/08/430427408.db2.gz NNIDXWRHEMVVTF-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000583789577 430427413 /nfs/dbraw/zinc/42/74/13/430427413.db2.gz NNIDXWRHEMVVTF-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cc(-c2ccccc2)nn1C ZINC000583794729 430429675 /nfs/dbraw/zinc/42/96/75/430429675.db2.gz QIRXXKADLVFFQF-CQSZACIVSA-N 2 1 309.417 2.714 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)o1 ZINC000641823616 430482519 /nfs/dbraw/zinc/48/25/19/430482519.db2.gz STXDVZSMBVDLAG-ARFHVFGLSA-N 2 1 321.465 2.654 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)[C@H]1CC1(F)F ZINC000638972613 430485565 /nfs/dbraw/zinc/48/55/65/430485565.db2.gz VRMUZLRAEOHROX-IAOVAPTHSA-N 2 1 324.415 2.777 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)CC[NH+](C)C2CCCCC2)C[C@H]1C ZINC000548721253 430493977 /nfs/dbraw/zinc/49/39/77/430493977.db2.gz LBKMTCIACUPXIM-CVEARBPZSA-N 2 1 309.498 2.582 20 0 DFADMP c1ccc(NC2CC[NH+](CCC[NH+]3CCCCC3)CC2)nc1 ZINC000548724428 430496176 /nfs/dbraw/zinc/49/61/76/430496176.db2.gz VVMOTQXIWUZGEX-UHFFFAOYSA-N 2 1 302.466 2.834 20 0 DFADMP C[C@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1c[nH+]ccc1N ZINC000569957089 430501325 /nfs/dbraw/zinc/50/13/25/430501325.db2.gz CUFDZSQIBSINHK-NSHDSACASA-N 2 1 307.344 2.989 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000548826190 430503895 /nfs/dbraw/zinc/50/38/95/430503895.db2.gz ZXHGPWHLDHGHJE-KRWDZBQOSA-N 2 1 321.509 2.633 20 0 DFADMP C[C@@H]1CC[N@@H+](CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)C1 ZINC000548826191 430504527 /nfs/dbraw/zinc/50/45/27/430504527.db2.gz ZXHGPWHLDHGHJE-QGZVFWFLSA-N 2 1 321.509 2.633 20 0 DFADMP C[N@@H+](Cc1ccnn1CC1CCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639075884 430511984 /nfs/dbraw/zinc/51/19/84/430511984.db2.gz CINYJDBOKDCPFS-INIZCTEOSA-N 2 1 313.449 2.574 20 0 DFADMP C[N@H+](Cc1ccnn1CC1CCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000639075884 430511987 /nfs/dbraw/zinc/51/19/87/430511987.db2.gz CINYJDBOKDCPFS-INIZCTEOSA-N 2 1 313.449 2.574 20 0 DFADMP CC[C@@](C)(C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639079535 430515059 /nfs/dbraw/zinc/51/50/59/430515059.db2.gz FTTCZTXONREICN-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@](C)(C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639079535 430515062 /nfs/dbraw/zinc/51/50/62/430515062.db2.gz FTTCZTXONREICN-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@](C)(C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639079535 430515065 /nfs/dbraw/zinc/51/50/65/430515065.db2.gz FTTCZTXONREICN-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@](C)(C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639079535 430515068 /nfs/dbraw/zinc/51/50/68/430515068.db2.gz FTTCZTXONREICN-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CC[C@@](C)(C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639079535 430515072 /nfs/dbraw/zinc/51/50/72/430515072.db2.gz FTTCZTXONREICN-ROUUACIJSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080644 430515810 /nfs/dbraw/zinc/51/58/10/430515810.db2.gz MMXABZYDRATYSP-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[N@@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080644 430515812 /nfs/dbraw/zinc/51/58/12/430515812.db2.gz MMXABZYDRATYSP-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[N@H+]1CC[C@@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080644 430515816 /nfs/dbraw/zinc/51/58/16/430515816.db2.gz MMXABZYDRATYSP-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[NH+]1CC[C@@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639080644 430515818 /nfs/dbraw/zinc/51/58/18/430515818.db2.gz MMXABZYDRATYSP-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CCC[C@H](C[NH+]1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639080644 430515824 /nfs/dbraw/zinc/51/58/24/430515824.db2.gz MMXABZYDRATYSP-ZWKOTPCHSA-N 2 1 305.466 2.650 20 0 DFADMP CO[C@H](C[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1)C1CCCCC1 ZINC000639125258 430533594 /nfs/dbraw/zinc/53/35/94/430533594.db2.gz YYSVINWUIPQWIS-FUHWJXTLSA-N 2 1 312.498 2.672 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639173057 430552661 /nfs/dbraw/zinc/55/26/61/430552661.db2.gz SORCOMQFYCRXAQ-BHIYHBOVSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)C1CC1 ZINC000639173057 430552664 /nfs/dbraw/zinc/55/26/64/430552664.db2.gz SORCOMQFYCRXAQ-BHIYHBOVSA-N 2 1 300.446 2.715 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639295539 430601023 /nfs/dbraw/zinc/60/10/23/430601023.db2.gz MPMYBQFOXUFTCB-RYRKJORJSA-N 2 1 306.425 2.665 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639295539 430601025 /nfs/dbraw/zinc/60/10/25/430601025.db2.gz MPMYBQFOXUFTCB-RYRKJORJSA-N 2 1 306.425 2.665 20 0 DFADMP C[N@@H+](Cc1ccc(C(F)F)nc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639178445 430557963 /nfs/dbraw/zinc/55/79/63/430557963.db2.gz IZFJEIVDQLGVOQ-GFCCVEGCSA-N 2 1 306.360 2.910 20 0 DFADMP C[N@H+](Cc1ccc(C(F)F)nc1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000639178445 430557968 /nfs/dbraw/zinc/55/79/68/430557968.db2.gz IZFJEIVDQLGVOQ-GFCCVEGCSA-N 2 1 306.360 2.910 20 0 DFADMP COc1ccc(COCC[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000643441038 430601141 /nfs/dbraw/zinc/60/11/41/430601141.db2.gz OBLNZWQBNJCDJX-VYDXJSESSA-N 2 1 306.450 2.517 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCC2(C)C)c2cccs2)CC1 ZINC000551792961 430563179 /nfs/dbraw/zinc/56/31/79/430563179.db2.gz CSSUTYOMPJFQCN-HOCLYGCPSA-N 2 1 307.507 2.815 20 0 DFADMP CC(C)(C)O[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3[nH]cnc3C2)C12CCC2 ZINC000639192027 430564479 /nfs/dbraw/zinc/56/44/79/430564479.db2.gz OEDANHCKSZBFOM-DAXOMENPSA-N 2 1 303.450 2.983 20 0 DFADMP CC[C@H]1CN(c2ccccc2)CC[N@@H+]1CCCc1c[nH+]cn1C ZINC000570695622 430570346 /nfs/dbraw/zinc/57/03/46/430570346.db2.gz YXZZGLBGNCHHQV-KRWDZBQOSA-N 2 1 312.461 2.954 20 0 DFADMP CC[C@H]1CN(c2ccccc2)CC[N@H+]1CCCc1c[nH+]cn1C ZINC000570695622 430570349 /nfs/dbraw/zinc/57/03/49/430570349.db2.gz YXZZGLBGNCHHQV-KRWDZBQOSA-N 2 1 312.461 2.954 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794233 430576894 /nfs/dbraw/zinc/57/68/94/430576894.db2.gz CUDHMLUGHCOQSX-CRAIPNDOSA-N 2 1 302.462 2.844 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000570794233 430576897 /nfs/dbraw/zinc/57/68/97/430576897.db2.gz CUDHMLUGHCOQSX-CRAIPNDOSA-N 2 1 302.462 2.844 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453308 430601921 /nfs/dbraw/zinc/60/19/21/430601921.db2.gz ZVHJUVHCSURSSX-CKEIUWERSA-N 2 1 307.869 2.754 20 0 DFADMP COC[C@H]([NH2+][C@@H](C)[C@@H]1CC[NH2+]C1)c1cccc(C(F)(F)F)c1 ZINC000643456320 430601956 /nfs/dbraw/zinc/60/19/56/430601956.db2.gz LEUXRPASEJNLPF-LNSITVRQSA-N 2 1 316.367 2.981 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000552170106 430588823 /nfs/dbraw/zinc/58/88/23/430588823.db2.gz ZDVWWDFJXMQTFI-OAHLLOKOSA-N 2 1 323.525 2.948 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@@]1(C)C[C@@H]1c1ccccc1)CCO2 ZINC000639286976 430598416 /nfs/dbraw/zinc/59/84/16/430598416.db2.gz VMBQRTOTWCFAAJ-RTBURBONSA-N 2 1 314.473 2.977 20 0 DFADMP CC(C)CC[C@@H](O)C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000571040295 430598779 /nfs/dbraw/zinc/59/87/79/430598779.db2.gz AADNJACWYHGNJR-RBUKOAKNSA-N 2 1 304.478 2.895 20 0 DFADMP CC[N@@H+](CCC[NH2+]C[C@@H](OC)[C@@H]1CCOC1)C1CCCCC1 ZINC000639289779 430599613 /nfs/dbraw/zinc/59/96/13/430599613.db2.gz COQLSIYFNVLFTB-SJLPKXTDSA-N 2 1 312.498 2.672 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC000552554776 430600283 /nfs/dbraw/zinc/60/02/83/430600283.db2.gz VDGOHWWMKZSGFY-BBWFWOEESA-N 2 1 309.498 2.582 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@H]43)cc2)CC1 ZINC000554724837 430649612 /nfs/dbraw/zinc/64/96/12/430649612.db2.gz VBTJYMGKCXBSDU-XUVXKRRUSA-N 2 1 313.489 2.712 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000571753778 430650593 /nfs/dbraw/zinc/65/05/93/430650593.db2.gz FFBHELPDBJPSAE-DNVCBOLYSA-N 2 1 317.477 2.691 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000554725586 430650763 /nfs/dbraw/zinc/65/07/63/430650763.db2.gz WLWNROSKDPFXDX-UHZRXMQZSA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[C@H]21 ZINC000554725586 430650767 /nfs/dbraw/zinc/65/07/67/430650767.db2.gz WLWNROSKDPFXDX-UHZRXMQZSA-N 2 1 314.473 2.648 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000639483276 430652204 /nfs/dbraw/zinc/65/22/04/430652204.db2.gz RRADAYVMERISTM-HZPDHXFCSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000639483276 430652207 /nfs/dbraw/zinc/65/22/07/430652207.db2.gz RRADAYVMERISTM-HZPDHXFCSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)c1 ZINC000639483276 430652210 /nfs/dbraw/zinc/65/22/10/430652210.db2.gz RRADAYVMERISTM-HZPDHXFCSA-N 2 1 303.450 2.939 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C[C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000571790244 430653424 /nfs/dbraw/zinc/65/34/24/430653424.db2.gz DQTVFSXOFUGYBB-NVXWUHKLSA-N 2 1 316.489 2.886 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@H]1CCC(C)(C)c2ccccc21)C1CC1 ZINC000571790244 430653427 /nfs/dbraw/zinc/65/34/27/430653427.db2.gz DQTVFSXOFUGYBB-NVXWUHKLSA-N 2 1 316.489 2.886 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)cc2F)C1)c1c[nH+]ccc1N ZINC000643462833 430604310 /nfs/dbraw/zinc/60/43/10/430604310.db2.gz MKCQOJVISLCGPX-YPMHNXCESA-N 2 1 318.371 2.702 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)c1ccsc1 ZINC000552980395 430604618 /nfs/dbraw/zinc/60/46/18/430604618.db2.gz ZBDBJTPJPZFLCN-HOCLYGCPSA-N 2 1 323.506 2.587 20 0 DFADMP CC[C@H]([NH2+]C[C@H](O)COc1c(C)cccc1C)[C@H]1CCCC[NH2+]1 ZINC000643463871 430605582 /nfs/dbraw/zinc/60/55/82/430605582.db2.gz FWJRGKOURFQLJK-OKZBNKHCSA-N 2 1 320.477 2.553 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(C2CCCCC2)C1=O ZINC000643467745 430605709 /nfs/dbraw/zinc/60/57/09/430605709.db2.gz YARURUHQOWPFGR-SOLBZPMBSA-N 2 1 321.509 2.820 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](O)COc1c(C)cccc1C)[C@H]1CCCC[NH2+]1 ZINC000643463870 430605772 /nfs/dbraw/zinc/60/57/72/430605772.db2.gz FWJRGKOURFQLJK-FGTMMUONSA-N 2 1 320.477 2.553 20 0 DFADMP COc1ccc([C@@H]([NH2+]C2CCC(CO)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000643471293 430605853 /nfs/dbraw/zinc/60/58/53/430605853.db2.gz OWMNDGCPBSCSIL-IZVXFFJCSA-N 2 1 318.461 2.629 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCCc1cccc(Br)c1 ZINC000643469420 430606053 /nfs/dbraw/zinc/60/60/53/430606053.db2.gz UEDPWNGGRBDYRH-SWLSCSKDSA-N 2 1 311.267 2.969 20 0 DFADMP COc1ccc([C@H]([NH2+][C@H]2CC[C@@H](CO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643471032 430606095 /nfs/dbraw/zinc/60/60/95/430606095.db2.gz OWMNDGCPBSCSIL-FXECBMLZSA-N 2 1 318.461 2.629 20 0 DFADMP Cn1nc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc21 ZINC000643481110 430606630 /nfs/dbraw/zinc/60/66/30/430606630.db2.gz QYOJAWWSXPHCEZ-HYVNUMGLSA-N 2 1 312.461 2.974 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000643480369 430607212 /nfs/dbraw/zinc/60/72/12/430607212.db2.gz CJMAJVYWXOAPAF-BHEBFOIGSA-N 2 1 301.478 2.612 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000643480369 430607216 /nfs/dbraw/zinc/60/72/16/430607216.db2.gz CJMAJVYWXOAPAF-BHEBFOIGSA-N 3 1 301.478 2.612 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000643480369 430607219 /nfs/dbraw/zinc/60/72/19/430607219.db2.gz CJMAJVYWXOAPAF-BHEBFOIGSA-N 3 1 301.478 2.612 20 0 DFADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000643472551 430607411 /nfs/dbraw/zinc/60/74/11/430607411.db2.gz QAEASZDJDBFKEE-USXIJHARSA-N 2 1 303.450 2.717 20 0 DFADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@@H](C)[C@H]1CCC[NH2+]C1)CCO2 ZINC000643482356 430607581 /nfs/dbraw/zinc/60/75/81/430607581.db2.gz ANSMNXYUVCDHNT-GRDNDAEWSA-N 2 1 304.434 2.887 20 0 DFADMP CC[NH2+]CCCNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000643498985 430608453 /nfs/dbraw/zinc/60/84/53/430608453.db2.gz HXTGVZPFIOODRU-YQQQUEKLSA-N 2 1 301.478 2.771 20 0 DFADMP CC[NH2+]CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000643498985 430608456 /nfs/dbraw/zinc/60/84/56/430608456.db2.gz HXTGVZPFIOODRU-YQQQUEKLSA-N 3 1 301.478 2.771 20 0 DFADMP CC[NH2+]CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000643498985 430608458 /nfs/dbraw/zinc/60/84/58/430608458.db2.gz HXTGVZPFIOODRU-YQQQUEKLSA-N 3 1 301.478 2.771 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643489595 430608620 /nfs/dbraw/zinc/60/86/20/430608620.db2.gz UEZKGXNONWRERA-QFHJOOASSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C)[C@@H]1CCC[NH2+]C1 ZINC000643489595 430608622 /nfs/dbraw/zinc/60/86/22/430608622.db2.gz UEZKGXNONWRERA-QFHJOOASSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639326694 430610583 /nfs/dbraw/zinc/61/05/83/430610583.db2.gz DAEGQGDJSGETAJ-YXJHDRRASA-N 2 1 300.446 2.858 20 0 DFADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)CC1 ZINC000639326694 430610585 /nfs/dbraw/zinc/61/05/85/430610585.db2.gz DAEGQGDJSGETAJ-YXJHDRRASA-N 2 1 300.446 2.858 20 0 DFADMP Cn1c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc2ccccc21 ZINC000639334519 430612670 /nfs/dbraw/zinc/61/26/70/430612670.db2.gz FJRCSFCNHXSDDA-GOSISDBHSA-N 2 1 315.461 2.721 20 0 DFADMP Cn1c(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc2ccccc21 ZINC000639334519 430612673 /nfs/dbraw/zinc/61/26/73/430612673.db2.gz FJRCSFCNHXSDDA-GOSISDBHSA-N 2 1 315.461 2.721 20 0 DFADMP Cn1c[nH+]cc1CCCN1CC[NH+](CC2CCCCC2)CC1 ZINC000571222590 430613492 /nfs/dbraw/zinc/61/34/92/430613492.db2.gz TVWCALSFFPYRCB-UHFFFAOYSA-N 2 1 304.482 2.551 20 0 DFADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000643536486 430613973 /nfs/dbraw/zinc/61/39/73/430613973.db2.gz UIPQQWQAEFXIDM-WDSOQIARSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@H]([NH2+][C@H]1CC12CC[NH2+]CC2)[C@H]1CCN(Cc2ccccc2)C1 ZINC000643536486 430613974 /nfs/dbraw/zinc/61/39/74/430613974.db2.gz UIPQQWQAEFXIDM-WDSOQIARSA-N 2 1 313.489 2.629 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639345905 430617666 /nfs/dbraw/zinc/61/76/66/430617666.db2.gz CLJPEEFZJXYGJD-MSOLQXFVSA-N 2 1 301.478 2.834 20 0 DFADMP OC1CC(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639351794 430618374 /nfs/dbraw/zinc/61/83/74/430618374.db2.gz AAEAFALFVOCCQL-QWORBQNLSA-N 2 1 300.446 2.715 20 0 DFADMP OC1CC(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639351794 430618377 /nfs/dbraw/zinc/61/83/77/430618377.db2.gz AAEAFALFVOCCQL-QWORBQNLSA-N 2 1 300.446 2.715 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000639360402 430619751 /nfs/dbraw/zinc/61/97/51/430619751.db2.gz WYHXCCXIYMBZTN-XFWGSAIBSA-N 2 1 314.473 2.912 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639362254 430621238 /nfs/dbraw/zinc/62/12/38/430621238.db2.gz ADBVQFOQWZUJTD-ITQYTPKQSA-N 2 1 300.446 2.715 20 0 DFADMP OC[C@H]1C[C@@H]([NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639362254 430621239 /nfs/dbraw/zinc/62/12/39/430621239.db2.gz ADBVQFOQWZUJTD-ITQYTPKQSA-N 2 1 300.446 2.715 20 0 DFADMP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000553729272 430622541 /nfs/dbraw/zinc/62/25/41/430622541.db2.gz NWNNIPNMLJAVRR-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP CC[N@H+]1CCC[C@@H](C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)C1 ZINC000553729272 430622544 /nfs/dbraw/zinc/62/25/44/430622544.db2.gz NWNNIPNMLJAVRR-CABCVRRESA-N 2 1 318.461 2.840 20 0 DFADMP O[C@H]1CC[N@@H+]([C@@H]2CCC[C@@H]2NCc2cc(F)cc(Cl)c2)C1 ZINC000639374391 430624513 /nfs/dbraw/zinc/62/45/13/430624513.db2.gz YTRDGAMIJNRXTG-HRCADAONSA-N 2 1 312.816 2.556 20 0 DFADMP O[C@H]1CC[N@H+]([C@@H]2CCC[C@@H]2NCc2cc(F)cc(Cl)c2)C1 ZINC000639374391 430624515 /nfs/dbraw/zinc/62/45/15/430624515.db2.gz YTRDGAMIJNRXTG-HRCADAONSA-N 2 1 312.816 2.556 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)C[N@H+]1CC[C@@H](C)C1)c1ccccc1 ZINC000571461806 430629321 /nfs/dbraw/zinc/62/93/21/430629321.db2.gz JBZMWLCWRFFLLQ-CVEARBPZSA-N 2 1 317.477 2.574 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000571551753 430636511 /nfs/dbraw/zinc/63/65/11/430636511.db2.gz ISYWYXXWKBLHSD-JENIJYKNSA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCC[C@H](c2ccccc2)C1)C1CC1 ZINC000571551753 430636514 /nfs/dbraw/zinc/63/65/14/430636514.db2.gz ISYWYXXWKBLHSD-JENIJYKNSA-N 2 1 302.462 2.758 20 0 DFADMP c1cn(CCCC[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)cn1 ZINC000643882505 430638980 /nfs/dbraw/zinc/63/89/80/430638980.db2.gz UJERNHVVJLAIKF-YOFSQIOKSA-N 2 1 324.472 2.773 20 0 DFADMP c1cn(CCCC[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)cn1 ZINC000643882505 430638986 /nfs/dbraw/zinc/63/89/86/430638986.db2.gz UJERNHVVJLAIKF-YOFSQIOKSA-N 2 1 324.472 2.773 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CCOC4)[C@@H]3C2)cc1 ZINC000643910776 430641884 /nfs/dbraw/zinc/64/18/84/430641884.db2.gz AHZMTGDJCSGZDK-MANSERQUSA-N 2 1 300.446 2.666 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C[C@H]2CCC[NH2+]2)CC1 ZINC000572247255 430678386 /nfs/dbraw/zinc/67/83/86/430678386.db2.gz ZZSFQCGRCNWLBB-FUHWJXTLSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1OCC[C@@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639614415 430681689 /nfs/dbraw/zinc/68/16/89/430681689.db2.gz CUUMBDHRNLQLSC-GDBMZVCRSA-N 2 1 303.450 2.824 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CCn3cc[nH+]c3C1)C2 ZINC000366749613 278032171 /nfs/dbraw/zinc/03/21/71/278032171.db2.gz ZSJDCMTXFLDJQE-GOEBONIOSA-N 2 1 311.429 2.601 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[N@H+]1CCC[C@@H](CC(C)(C)C(N)=O)C1 ZINC000572392070 430685861 /nfs/dbraw/zinc/68/58/61/430685861.db2.gz HKGAZYYLNKCIIJ-IXDOHACOSA-N 2 1 323.525 2.911 20 0 DFADMP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H]3CCC[C@H]31)CC2 ZINC000353687562 278144779 /nfs/dbraw/zinc/14/47/79/278144779.db2.gz MCTJIKMSXXBSAX-XDNAFOTISA-N 2 1 316.493 2.784 20 0 DFADMP CN(CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1 ZINC000556875641 430695237 /nfs/dbraw/zinc/69/52/37/430695237.db2.gz AHQSZGZJJHOHAN-IPMKNSEASA-N 2 1 301.478 2.975 20 0 DFADMP C[C@@H](CCN[C@@H]1CC[N@@H+](C)C[C@H]1C)[NH+](C)Cc1ccccc1 ZINC000361755952 278233827 /nfs/dbraw/zinc/23/38/27/278233827.db2.gz SKGLPIVQOKXOMS-ZIFCJYIRSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H](CCN[C@@H]1CC[NH+](C)C[C@H]1C)[N@H+](C)Cc1ccccc1 ZINC000361755952 278233830 /nfs/dbraw/zinc/23/38/30/278233830.db2.gz SKGLPIVQOKXOMS-ZIFCJYIRSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H](CCN[C@@H]1CC[NH+](C)C[C@H]1C)[N@@H+](C)Cc1ccccc1 ZINC000361755952 278233832 /nfs/dbraw/zinc/23/38/32/278233832.db2.gz SKGLPIVQOKXOMS-ZIFCJYIRSA-N 2 1 303.494 2.827 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)N1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000572767737 430696950 /nfs/dbraw/zinc/69/69/50/430696950.db2.gz KJHXSBAJJHPPRB-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)(C)OC(=O)CCCC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364653343 278372403 /nfs/dbraw/zinc/37/24/03/278372403.db2.gz DWQSAPNQJUUPNB-BRWVUGGUSA-N 2 1 322.493 2.915 20 0 DFADMP CC(C)(C)OC(=O)CCCC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364653343 278372406 /nfs/dbraw/zinc/37/24/06/278372406.db2.gz DWQSAPNQJUUPNB-BRWVUGGUSA-N 2 1 322.493 2.915 20 0 DFADMP CC(C)(C)OC(=O)CCCC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000364653343 278372409 /nfs/dbraw/zinc/37/24/09/278372409.db2.gz DWQSAPNQJUUPNB-BRWVUGGUSA-N 2 1 322.493 2.915 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)CC[N@@H+]1Cc1ccccc1 ZINC000657710594 430715949 /nfs/dbraw/zinc/71/59/49/430715949.db2.gz WZFPAKASOZSPPV-OQIJWPOYSA-N 2 1 314.473 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@H](O)C23CCC3)CC[N@H+]1Cc1ccccc1 ZINC000657710594 430715957 /nfs/dbraw/zinc/71/59/57/430715957.db2.gz WZFPAKASOZSPPV-OQIJWPOYSA-N 2 1 314.473 2.933 20 0 DFADMP c1cc2c(cc1C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)CCCC2 ZINC000657753869 430724852 /nfs/dbraw/zinc/72/48/52/430724852.db2.gz ZNBAICLUJUXEOQ-FQEVSTJZSA-N 2 1 314.473 2.908 20 0 DFADMP Cc1cccc2[nH]c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)cc21 ZINC000657752187 430725056 /nfs/dbraw/zinc/72/50/56/430725056.db2.gz NBQKLDDDVONZMG-KRWDZBQOSA-N 2 1 313.445 2.819 20 0 DFADMP c1cc2cnccc2c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657752785 430725760 /nfs/dbraw/zinc/72/57/60/430725760.db2.gz RENLEBPLCZVPBG-GOSISDBHSA-N 2 1 311.429 2.578 20 0 DFADMP c1cc2cc(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)ccc2o1 ZINC000657751437 430725840 /nfs/dbraw/zinc/72/58/40/430725840.db2.gz JENJWVLAKHXBKU-KRWDZBQOSA-N 2 1 300.402 2.776 20 0 DFADMP C/C(=C\c1ccccc1)C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000657750996 430726037 /nfs/dbraw/zinc/72/60/37/430726037.db2.gz MOGMRFPLRWXLDA-NRMGUKERSA-N 2 1 300.446 2.933 20 0 DFADMP Clc1ccsc1C[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000657751370 430726531 /nfs/dbraw/zinc/72/65/31/430726531.db2.gz HRECPIOVUMAIQN-LBPRGKRZSA-N 2 1 300.855 2.744 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657999351 430782650 /nfs/dbraw/zinc/78/26/50/430782650.db2.gz UKFZVAHHQZKJRU-ZWKOTPCHSA-N 2 1 300.446 2.810 20 0 DFADMP C[C@H](C[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644513252 430739261 /nfs/dbraw/zinc/73/92/61/430739261.db2.gz FNFCRAHDYRMITK-YLJYHZDGSA-N 2 1 312.457 2.873 20 0 DFADMP C[C@H](C[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1)c1ccccc1 ZINC000644513252 430739267 /nfs/dbraw/zinc/73/92/67/430739267.db2.gz FNFCRAHDYRMITK-YLJYHZDGSA-N 2 1 312.457 2.873 20 0 DFADMP Cc1ccccc1CC[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644513096 430740101 /nfs/dbraw/zinc/74/01/01/430740101.db2.gz HRSZVKZPCWPDKE-FQEVSTJZSA-N 2 1 312.457 2.620 20 0 DFADMP Cc1ccccc1CC[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644513096 430740108 /nfs/dbraw/zinc/74/01/08/430740108.db2.gz HRSZVKZPCWPDKE-FQEVSTJZSA-N 2 1 312.457 2.620 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+][C@H]2CCCC23CC3)c2cccs2)CC1 ZINC000657815100 430743599 /nfs/dbraw/zinc/74/35/99/430743599.db2.gz DELBUGSJKOTJSH-RDJZCZTQSA-N 2 1 319.518 2.959 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CCC(=O)Nc1ccccc1F ZINC000644525353 430743624 /nfs/dbraw/zinc/74/36/24/430743624.db2.gz VCEMMXMRBRZJLV-ZDUSSCGKSA-N 2 1 318.396 2.585 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@]1(C)c1ccccc1 ZINC000644574671 430756129 /nfs/dbraw/zinc/75/61/29/430756129.db2.gz BIKRMGRTTZOUGD-NJDAHSKKSA-N 2 1 324.468 2.799 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+][C@@H]1C[C@]1(C)c1ccccc1 ZINC000644574671 430756132 /nfs/dbraw/zinc/75/61/32/430756132.db2.gz BIKRMGRTTZOUGD-NJDAHSKKSA-N 2 1 324.468 2.799 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000644574917 430757203 /nfs/dbraw/zinc/75/72/03/430757203.db2.gz KDNUJJDILLKIGT-DOMZBBRYSA-N 2 1 309.841 2.741 20 0 DFADMP COC1([C@@H](C)[NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)CCC1 ZINC000657901379 430763476 /nfs/dbraw/zinc/76/34/76/430763476.db2.gz RSLHAGRPGHBKGD-CQSZACIVSA-N 2 1 318.465 2.609 20 0 DFADMP COC1([C@@H](C)[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCC1 ZINC000657944075 430773054 /nfs/dbraw/zinc/77/30/54/430773054.db2.gz YELCFBHISHUDQD-ZBFHGGJFSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cncc(Br)c1 ZINC000657945919 430773411 /nfs/dbraw/zinc/77/34/11/430773411.db2.gz NUMNNZHJVXQHLB-GWCFXTLKSA-N 2 1 321.222 2.706 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3CCCC34CC4)C2)nc(C)[nH+]1 ZINC000657944020 430773709 /nfs/dbraw/zinc/77/37/09/430773709.db2.gz WULHGFWASUDALI-CVEARBPZSA-N 2 1 300.450 2.985 20 0 DFADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657997276 430783910 /nfs/dbraw/zinc/78/39/10/430783910.db2.gz ARMLHABBUZKWIM-ROUUACIJSA-N 2 1 310.445 2.830 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)C(F)(F)F ZINC000644640955 430776408 /nfs/dbraw/zinc/77/64/08/430776408.db2.gz IZDQTMYOIOIDPS-AWEZNQCLSA-N 2 1 318.383 2.657 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CC(C)(C)C(F)(F)F ZINC000644640955 430776410 /nfs/dbraw/zinc/77/64/10/430776410.db2.gz IZDQTMYOIOIDPS-AWEZNQCLSA-N 2 1 318.383 2.657 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)C1 ZINC000657969742 430776983 /nfs/dbraw/zinc/77/69/83/430776983.db2.gz UJIYHMZTEVDLBP-QZTJIDSGSA-N 2 1 320.502 2.629 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000657973164 430778463 /nfs/dbraw/zinc/77/84/63/430778463.db2.gz CASHQELZSSQKOU-WOJBJXKFSA-N 2 1 316.489 2.919 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)c1ccc2c(c1)CCCC2 ZINC000657973164 430778468 /nfs/dbraw/zinc/77/84/68/430778468.db2.gz CASHQELZSSQKOU-WOJBJXKFSA-N 2 1 316.489 2.919 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@@H](C)C1 ZINC000658100930 430811517 /nfs/dbraw/zinc/81/15/17/430811517.db2.gz MCCNYVYNQTWGBY-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@@H](C)C1 ZINC000658100930 430811521 /nfs/dbraw/zinc/81/15/21/430811521.db2.gz MCCNYVYNQTWGBY-RDJZCZTQSA-N 2 1 302.466 2.502 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)C1 ZINC000658136326 430820824 /nfs/dbraw/zinc/82/08/24/430820824.db2.gz HVCJOZWDBMQEPW-QZTJIDSGSA-N 2 1 320.502 2.629 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648560740 430823767 /nfs/dbraw/zinc/82/37/67/430823767.db2.gz MXFZIRGJDUHMJO-ZYSHUDEJSA-N 2 1 302.462 2.849 20 0 DFADMP CC[N@@H+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)C[C@@H]1C ZINC000651637665 430837223 /nfs/dbraw/zinc/83/72/23/430837223.db2.gz YXUQSTJSVVYAJA-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP CC[N@H+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)C[C@@H]1C ZINC000651637665 430837227 /nfs/dbraw/zinc/83/72/27/430837227.db2.gz YXUQSTJSVVYAJA-HNNXBMFYSA-N 2 1 300.450 2.984 20 0 DFADMP COc1cc(OC)c(CN(C)C[C@H]2CCC[N@@H+](C)C2)cc1F ZINC000651616671 430831344 /nfs/dbraw/zinc/83/13/44/430831344.db2.gz IVOGUIGJBUFGCQ-ZDUSSCGKSA-N 2 1 310.413 2.617 20 0 DFADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000658165170 430833015 /nfs/dbraw/zinc/83/30/15/430833015.db2.gz JCMAAKOYKRYVFC-QKYXUNIQSA-N 2 1 314.473 2.948 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000658170456 430833135 /nfs/dbraw/zinc/83/31/35/430833135.db2.gz SPYXFZLDWJPJAX-DJIMGWMZSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000658170456 430833138 /nfs/dbraw/zinc/83/31/38/430833138.db2.gz SPYXFZLDWJPJAX-DJIMGWMZSA-N 2 1 324.415 2.911 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2COCCOC2)CC1 ZINC000648592754 430833258 /nfs/dbraw/zinc/83/32/58/430833258.db2.gz XHZJJSCDASEYLB-UHFFFAOYSA-N 2 1 312.498 2.671 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000644669384 430784508 /nfs/dbraw/zinc/78/45/08/430784508.db2.gz UBTXEAUUBFTBPQ-ZCNNSNEGSA-N 2 1 316.489 2.895 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1C1CC1 ZINC000644669384 430784513 /nfs/dbraw/zinc/78/45/13/430784513.db2.gz UBTXEAUUBFTBPQ-ZCNNSNEGSA-N 2 1 316.489 2.895 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000644675181 430787521 /nfs/dbraw/zinc/78/75/21/430787521.db2.gz CVPVEIKOEPFRDO-FHWLQOOXSA-N 2 1 302.462 2.505 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C[C@@H]1C[C@H]1C1CCC1 ZINC000644675181 430787529 /nfs/dbraw/zinc/78/75/29/430787529.db2.gz CVPVEIKOEPFRDO-FHWLQOOXSA-N 2 1 302.462 2.505 20 0 DFADMP Clc1cnc2oc(C[NH2+][C@H]3CCc4[nH+]ccn4C3)cc2c1 ZINC000648442292 430788780 /nfs/dbraw/zinc/78/87/80/430788780.db2.gz KEERVDZCIAZDHN-LBPRGKRZSA-N 2 1 302.765 2.782 20 0 DFADMP Clc1cnc2oc(C[NH2+][C@@H]3CCc4[nH+]ccn4C3)cc2c1 ZINC000648442291 430790001 /nfs/dbraw/zinc/79/00/01/430790001.db2.gz KEERVDZCIAZDHN-GFCCVEGCSA-N 2 1 302.765 2.782 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCC(OC)CC3)CCCC2)CCO1 ZINC000648456326 430792431 /nfs/dbraw/zinc/79/24/31/430792431.db2.gz AASDEODUXMSYDJ-DLBZAZTESA-N 2 1 324.509 2.957 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000658246680 430850629 /nfs/dbraw/zinc/85/06/29/430850629.db2.gz FVIDEUHKXOLOOC-NSISKUIASA-N 2 1 316.489 2.895 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000651693439 430851191 /nfs/dbraw/zinc/85/11/91/430851191.db2.gz NYXZUKCEVBLNIO-UHFFFAOYSA-N 2 1 309.417 2.784 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@H](OC(C)(C)C)C23CCC3)CC1 ZINC000658255888 430854591 /nfs/dbraw/zinc/85/45/91/430854591.db2.gz WPOGAFQSEOMIHT-SJORKVTESA-N 2 1 324.509 2.813 20 0 DFADMP CCC[N@@H+]1CC[C@@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287895 430862679 /nfs/dbraw/zinc/86/26/79/430862679.db2.gz ONESBTZSCDTMIK-SJLPKXTDSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@H+]1CC[C@@H](N[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000658287895 430862685 /nfs/dbraw/zinc/86/26/85/430862685.db2.gz ONESBTZSCDTMIK-SJLPKXTDSA-N 2 1 319.493 2.762 20 0 DFADMP CC1(C)CC([NH2+]Cc2cnnn2-c2ccccc2)CC(C)(C)[NH2+]1 ZINC000651749734 430867162 /nfs/dbraw/zinc/86/71/62/430867162.db2.gz HEYGBDLJACNEIK-UHFFFAOYSA-N 2 1 313.449 2.666 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000665249767 430867368 /nfs/dbraw/zinc/86/73/68/430867368.db2.gz YTQCTAMTHCNITR-OAHLLOKOSA-N 3 1 305.466 2.549 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH3+])CCCC1 ZINC000665249575 430868322 /nfs/dbraw/zinc/86/83/22/430868322.db2.gz TTZZWCCVNZYFBY-AEFFLSMTSA-N 2 1 301.478 2.758 20 0 DFADMP C[C@@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1)[C@@H]1CCCOC1 ZINC000665257523 430873546 /nfs/dbraw/zinc/87/35/46/430873546.db2.gz LVWIQGNWNYWYOT-MOIQIXESSA-N 2 1 306.425 2.676 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1nccn1C ZINC000658335072 430878860 /nfs/dbraw/zinc/87/88/60/430878860.db2.gz JGZATSFUYVCOKA-LSDHHAIUSA-N 2 1 316.449 2.772 20 0 DFADMP C[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000658336083 430879444 /nfs/dbraw/zinc/87/94/44/430879444.db2.gz NEBVFUBZFNEKNC-GJZGRUSLSA-N 2 1 316.449 2.772 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](NCC24CC(C2)C[NH2+]4)C3)cc1 ZINC000665278344 430881275 /nfs/dbraw/zinc/88/12/75/430881275.db2.gz BPOOERVBMTUCAL-NNUJQTDSSA-N 2 1 311.473 2.524 20 0 DFADMP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]CC23CC(C2)C[NH2+]3)cc1 ZINC000665279702 430881351 /nfs/dbraw/zinc/88/13/51/430881351.db2.gz KFYIXOQJMPRULG-LHKUQTHOSA-N 2 1 304.409 2.635 20 0 DFADMP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccccc1 ZINC000648768106 430885367 /nfs/dbraw/zinc/88/53/67/430885367.db2.gz PZKMQKYJOPYSMA-ZMSDIMECSA-N 2 1 317.477 2.572 20 0 DFADMP CC[C@H]1C[N@@H+](CC)CCN1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648775152 430887628 /nfs/dbraw/zinc/88/76/28/430887628.db2.gz VSNJYYZKGYJHND-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP CC[C@H]1CN(CC)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648775152 430887631 /nfs/dbraw/zinc/88/76/31/430887631.db2.gz VSNJYYZKGYJHND-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP CC[C@H]1CN(CC)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648775152 430887634 /nfs/dbraw/zinc/88/76/34/430887634.db2.gz VSNJYYZKGYJHND-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000648781348 430888703 /nfs/dbraw/zinc/88/87/03/430888703.db2.gz DCLIBADYINQUEP-HNNXBMFYSA-N 2 1 320.481 2.729 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC[C@H](C)O2)[C@@H](C)C1 ZINC000658217511 430842076 /nfs/dbraw/zinc/84/20/76/430842076.db2.gz FIGWAXIOERXLAK-XSLAGTTESA-N 2 1 312.498 2.671 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)CN(Cc1ccccc1F)CC1CC1 ZINC000661793666 430843031 /nfs/dbraw/zinc/84/30/31/430843031.db2.gz QNGNWBCAEPQGGA-QGZVFWFLSA-N 2 1 308.441 2.739 20 0 DFADMP C([NH2+][C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299637 430891889 /nfs/dbraw/zinc/89/18/89/430891889.db2.gz QRPZPNGGUNSYNE-XWSJACJDSA-N 3 1 305.510 2.619 20 0 DFADMP C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299637 430891905 /nfs/dbraw/zinc/89/19/05/430891905.db2.gz QRPZPNGGUNSYNE-XWSJACJDSA-N 2 1 305.510 2.619 20 0 DFADMP C(N[C@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299637 430891910 /nfs/dbraw/zinc/89/19/10/430891910.db2.gz QRPZPNGGUNSYNE-XWSJACJDSA-N 2 1 305.510 2.619 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000648794989 430895479 /nfs/dbraw/zinc/89/54/79/430895479.db2.gz OILRRKUGLSALSA-OAGGEKHMSA-N 2 1 320.481 2.585 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000648794989 430895483 /nfs/dbraw/zinc/89/54/83/430895483.db2.gz OILRRKUGLSALSA-OAGGEKHMSA-N 2 1 320.481 2.585 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(CC(F)(F)F)CC1 ZINC000651865613 430896709 /nfs/dbraw/zinc/89/67/09/430896709.db2.gz ANKZJQVOPSHXML-UHFFFAOYSA-N 2 1 309.420 2.581 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(c2nccs2)CC1 ZINC000651865973 430898541 /nfs/dbraw/zinc/89/85/41/430898541.db2.gz PDGXUGWNEXTGEA-UHFFFAOYSA-N 2 1 310.511 2.679 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000645083818 430899106 /nfs/dbraw/zinc/89/91/06/430899106.db2.gz NDNZYNYNDPGOAM-HDEZJCGLSA-N 2 1 318.465 2.608 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](OC(C)C)C1 ZINC000651897941 430908672 /nfs/dbraw/zinc/90/86/72/430908672.db2.gz OSODSWUNTNNGMZ-GOSISDBHSA-N 2 1 314.433 2.965 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000648844971 430910655 /nfs/dbraw/zinc/91/06/55/430910655.db2.gz GMPVIAAJGLCILL-HUUCEWRRSA-N 2 1 320.481 2.585 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000648881266 430923823 /nfs/dbraw/zinc/92/38/23/430923823.db2.gz SFROYHZVIVYODA-ZBFHGGJFSA-N 2 1 318.465 2.530 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H]1CCCC[N@H+]1C1CC1 ZINC000648881266 430923830 /nfs/dbraw/zinc/92/38/30/430923830.db2.gz SFROYHZVIVYODA-ZBFHGGJFSA-N 2 1 318.465 2.530 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648907869 430933033 /nfs/dbraw/zinc/93/30/33/430933033.db2.gz HRDXSOOBABORBN-CABCVRRESA-N 2 1 308.470 2.633 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)C[C@H](C)n1cc[nH+]c1CC ZINC000648907869 430933037 /nfs/dbraw/zinc/93/30/37/430933037.db2.gz HRDXSOOBABORBN-CABCVRRESA-N 2 1 308.470 2.633 20 0 DFADMP FC1(F)Oc2ccc(CC[NH2+]C3CC[NH+](C4CC4)CC3)cc2O1 ZINC000652041666 430943487 /nfs/dbraw/zinc/94/34/87/430943487.db2.gz MLFNTLOWWQVSHA-UHFFFAOYSA-N 2 1 324.371 2.767 20 0 DFADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@H]12)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000655353280 430972790 /nfs/dbraw/zinc/97/27/90/430972790.db2.gz SLUVHIDUZWIBGP-KURKYZTESA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000655353280 430972794 /nfs/dbraw/zinc/97/27/94/430972794.db2.gz SLUVHIDUZWIBGP-KURKYZTESA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@H]12)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000655353280 430972799 /nfs/dbraw/zinc/97/27/99/430972799.db2.gz SLUVHIDUZWIBGP-KURKYZTESA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000655353282 430972876 /nfs/dbraw/zinc/97/28/76/430972876.db2.gz SLUVHIDUZWIBGP-SQNIBIBYSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000655353282 430972879 /nfs/dbraw/zinc/97/28/79/430972879.db2.gz SLUVHIDUZWIBGP-SQNIBIBYSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000655353282 430972882 /nfs/dbraw/zinc/97/28/82/430972882.db2.gz SLUVHIDUZWIBGP-SQNIBIBYSA-N 2 1 319.493 2.527 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000662148403 430980341 /nfs/dbraw/zinc/98/03/41/430980341.db2.gz KAPZEGGXCMJYHF-IEBWSBKVSA-N 2 1 314.473 2.638 20 0 DFADMP C[C@@H](CCc1ccccc1)[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662160074 430982494 /nfs/dbraw/zinc/98/24/94/430982494.db2.gz MFEHNNUDKHPOHM-QFBILLFUSA-N 2 1 302.462 2.539 20 0 DFADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000662158787 430983324 /nfs/dbraw/zinc/98/33/24/430983324.db2.gz UKRMWGWQEPNTQZ-HXUWFJFHSA-N 2 1 310.441 2.871 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccc4ccccc4c3)CC2)C1 ZINC000662158787 430983326 /nfs/dbraw/zinc/98/33/26/430983326.db2.gz UKRMWGWQEPNTQZ-HXUWFJFHSA-N 2 1 310.441 2.871 20 0 DFADMP CCCN(C(=O)C[C@H](c1ccccc1)[NH+](C)C)[C@@H]1CC[N@@H+](C)C1 ZINC000648996657 430963492 /nfs/dbraw/zinc/96/34/92/430963492.db2.gz XLRDWZBSOCKJRE-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@@H+](C)C1 ZINC000648998209 430964703 /nfs/dbraw/zinc/96/47/03/430964703.db2.gz GVXMHIILXPPHDB-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000648998209 430964709 /nfs/dbraw/zinc/96/47/09/430964709.db2.gz GVXMHIILXPPHDB-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CC[NH+](C)C1 ZINC000648998209 430964715 /nfs/dbraw/zinc/96/47/15/430964715.db2.gz GVXMHIILXPPHDB-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP Cc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258108 431019730 /nfs/dbraw/zinc/01/97/30/431019730.db2.gz SCGYBKRWJNMUNQ-QZTJIDSGSA-N 2 1 300.446 2.523 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cc(F)ccc3OC(F)F)C[C@H]21 ZINC000662264540 431020920 /nfs/dbraw/zinc/02/09/20/431020920.db2.gz DQQMJUBIRGAZDP-ZLKJLUDKSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cc(F)ccc3OC(F)F)C[C@H]21 ZINC000662264540 431020925 /nfs/dbraw/zinc/02/09/25/431020925.db2.gz DQQMJUBIRGAZDP-ZLKJLUDKSA-N 2 1 314.351 2.986 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662265750 431022035 /nfs/dbraw/zinc/02/20/35/431022035.db2.gz ZACRHCNULHBYSA-GOSISDBHSA-N 3 1 310.445 2.674 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262332 431022616 /nfs/dbraw/zinc/02/26/16/431022616.db2.gz FTUSUUUKMFNNNW-GOSISDBHSA-N 2 1 301.478 2.639 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262332 431022618 /nfs/dbraw/zinc/02/26/18/431022618.db2.gz FTUSUUUKMFNNNW-GOSISDBHSA-N 3 1 301.478 2.639 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262332 431022622 /nfs/dbraw/zinc/02/26/22/431022622.db2.gz FTUSUUUKMFNNNW-GOSISDBHSA-N 3 1 301.478 2.639 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262332 431022625 /nfs/dbraw/zinc/02/26/25/431022625.db2.gz FTUSUUUKMFNNNW-GOSISDBHSA-N 3 1 301.478 2.639 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cccc2c1CC[NH2+]C2 ZINC000662262332 431022630 /nfs/dbraw/zinc/02/26/30/431022630.db2.gz FTUSUUUKMFNNNW-GOSISDBHSA-N 3 1 301.478 2.639 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)CC[C@H]1[NH3+] ZINC000662270104 431024058 /nfs/dbraw/zinc/02/40/58/431024058.db2.gz IHHZIZXYLNDAOI-SUMWQHHRSA-N 2 1 315.417 2.909 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cc(-c3ccc(OC)cc3)no2)CC[C@H]1[NH3+] ZINC000662270104 431024062 /nfs/dbraw/zinc/02/40/62/431024062.db2.gz IHHZIZXYLNDAOI-SUMWQHHRSA-N 2 1 315.417 2.909 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](CCCc3cccc(F)c3)C2)C1 ZINC000652349468 431027137 /nfs/dbraw/zinc/02/71/37/431027137.db2.gz PHLBVHNNUYXTQE-BHIYHBOVSA-N 2 1 320.452 2.977 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352680 431027522 /nfs/dbraw/zinc/02/75/22/431027522.db2.gz MUCQOPPHXZNNAS-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652352680 431027526 /nfs/dbraw/zinc/02/75/26/431027526.db2.gz MUCQOPPHXZNNAS-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@@H+](CCCCC(F)(F)F)C2)C1 ZINC000652350266 431027878 /nfs/dbraw/zinc/02/78/78/431027878.db2.gz OQZTUGMZHNMKLX-BFHYXJOUSA-N 2 1 308.388 2.937 20 0 DFADMP CC(C)N(C(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CC[NH3+])C1CCCC1 ZINC000652355056 431030355 /nfs/dbraw/zinc/03/03/55/431030355.db2.gz OCTMXKUPAMPTKD-RDJZCZTQSA-N 2 1 309.498 2.615 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2[NH2+]CC2(C)C)cc1 ZINC000645551001 431030886 /nfs/dbraw/zinc/03/08/86/431030886.db2.gz CGMGGVMORNYBPO-WMLDXEAASA-N 2 1 315.461 2.998 20 0 DFADMP C[C@H]1CCC[N@@H+](CCc2nc(-c3ccccc3)no2)[C@H]1CC[NH3+] ZINC000652355198 431030943 /nfs/dbraw/zinc/03/09/43/431030943.db2.gz QUCIVOOZCCGHCZ-HOCLYGCPSA-N 2 1 314.433 2.728 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652353339 431031019 /nfs/dbraw/zinc/03/10/19/431031019.db2.gz AKAMWRPWRADWCA-DOTOQJQBSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@@H+]2CCC[C@H](C)[C@H]2CC[NH3+])c1 ZINC000652353339 431031022 /nfs/dbraw/zinc/03/10/22/431031022.db2.gz AKAMWRPWRADWCA-DOTOQJQBSA-N 2 1 303.450 2.691 20 0 DFADMP CCn1cc(C[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C(C)C)cn1 ZINC000652358414 431031553 /nfs/dbraw/zinc/03/15/53/431031553.db2.gz BHOBAHDVOHFUFV-UHFFFAOYSA-N 2 1 312.461 2.959 20 0 DFADMP c1ccc([C@@H]2C[C@H]3[C@H](CCC[N@@H+]3CC[C@H]3CC[NH2+]C3)O2)cc1 ZINC000652364263 431031962 /nfs/dbraw/zinc/03/19/62/431031962.db2.gz BUOBUQJGFKPILF-BVBHFADKSA-N 2 1 300.446 2.981 20 0 DFADMP CC(C)c1cccc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000662282633 431032048 /nfs/dbraw/zinc/03/20/48/431032048.db2.gz PNSXQTRLBTZZAV-GOSISDBHSA-N 2 1 313.449 2.697 20 0 DFADMP Cc1cccc(OCC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360827 431032508 /nfs/dbraw/zinc/03/25/08/431032508.db2.gz RGAQDIBBUZGWPB-QRQLOZEOSA-N 2 1 318.461 2.735 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)on2)cc1 ZINC000662282724 431032552 /nfs/dbraw/zinc/03/25/52/431032552.db2.gz QFWRSTGZNJEBQK-DZGCQCFKSA-N 2 1 315.417 2.767 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H](C)[C@H](C[NH3+])C3)on2)cc1 ZINC000662282724 431032555 /nfs/dbraw/zinc/03/25/55/431032555.db2.gz QFWRSTGZNJEBQK-DZGCQCFKSA-N 2 1 315.417 2.767 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOCc2ccccc2)C1 ZINC000662282562 431032938 /nfs/dbraw/zinc/03/29/38/431032938.db2.gz CGMYFESBKLMAIA-QYZOEREBSA-N 2 1 318.461 2.564 20 0 DFADMP Cc1ccc(CC[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1 ZINC000652362863 431033290 /nfs/dbraw/zinc/03/32/90/431033290.db2.gz RKCBCEAYKUTCAX-QRVBRYPASA-N 2 1 302.462 2.898 20 0 DFADMP CC1(C)CCCC[C@@H]1C[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000662280078 431033576 /nfs/dbraw/zinc/03/35/76/431033576.db2.gz CFQJDJBJRFNDQL-GDBMZVCRSA-N 2 1 305.470 2.590 20 0 DFADMP CCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363183 431033684 /nfs/dbraw/zinc/03/36/84/431033684.db2.gz ZXYMPRZPVBPBSI-IMJJTQAJSA-N 2 1 323.506 2.956 20 0 DFADMP CCCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cs1 ZINC000652363183 431033687 /nfs/dbraw/zinc/03/36/87/431033687.db2.gz ZXYMPRZPVBPBSI-IMJJTQAJSA-N 2 1 323.506 2.956 20 0 DFADMP c1cc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]C4)CC3)n2)co1 ZINC000662294991 431034405 /nfs/dbraw/zinc/03/44/05/431034405.db2.gz XWKDFJHUKUHYGM-AWEZNQCLSA-N 2 1 316.405 2.541 20 0 DFADMP CC(C)CCc1noc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662292018 431034928 /nfs/dbraw/zinc/03/49/28/431034928.db2.gz KVVMZDYANIQYKB-INIZCTEOSA-N 2 1 320.481 2.870 20 0 DFADMP C[C@@H](c1nc(C2CC2)no1)[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000662293335 431035032 /nfs/dbraw/zinc/03/50/32/431035032.db2.gz QNXBCKBSEHXCEP-SWLSCSKDSA-N 2 1 304.438 2.720 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000662286185 431036190 /nfs/dbraw/zinc/03/61/90/431036190.db2.gz PJQHGVBJIUVONS-ZSYWTGECSA-N 2 1 324.509 2.800 20 0 DFADMP CN(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662295607 431038193 /nfs/dbraw/zinc/03/81/93/431038193.db2.gz VSCCXGFEODRSLT-GOSISDBHSA-N 2 1 301.478 2.834 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662296847 431038201 /nfs/dbraw/zinc/03/82/01/431038201.db2.gz NXPCUYPDSKYMPP-FUHWJXTLSA-N 2 1 323.525 2.732 20 0 DFADMP COc1ccc2c(c1)CC[N@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000662310816 431041620 /nfs/dbraw/zinc/04/16/20/431041620.db2.gz NGMYPYBHVFBSKO-UHFFFAOYSA-N 2 1 308.425 2.899 20 0 DFADMP Fc1ccccc1C[N@@H+](CC1CC1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662310254 431041690 /nfs/dbraw/zinc/04/16/90/431041690.db2.gz IYJMJPMSCOUUEV-INIZCTEOSA-N 2 1 304.409 2.559 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2nccn2CC(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662316739 431043170 /nfs/dbraw/zinc/04/31/70/431043170.db2.gz MXGQTLSLQVSUOW-CHWSQXEVSA-N 2 1 318.387 2.785 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2nccn2CC(F)(F)F)[C@@H]1CCC[NH3+] ZINC000662316739 431043177 /nfs/dbraw/zinc/04/31/77/431043177.db2.gz MXGQTLSLQVSUOW-CHWSQXEVSA-N 2 1 318.387 2.785 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCCC[C@H]2C)[C@@H]1CCC[NH3+] ZINC000662313353 431044350 /nfs/dbraw/zinc/04/43/50/431044350.db2.gz LAFLMMPSZPVKAL-WCXIOVBPSA-N 2 1 309.498 2.521 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCOc2ccc(F)cc2)CCO1 ZINC000662321181 431045598 /nfs/dbraw/zinc/04/55/98/431045598.db2.gz YUBOWPFBMDNHOI-GOSISDBHSA-N 2 1 324.440 2.637 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000662324496 431045941 /nfs/dbraw/zinc/04/59/41/431045941.db2.gz WYEOUUAAADHYNJ-GOSISDBHSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3ncccc3c2)CCO1 ZINC000662324496 431045944 /nfs/dbraw/zinc/04/59/44/431045944.db2.gz WYEOUUAAADHYNJ-GOSISDBHSA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](CCCCOC(C)(C)C)CCO1 ZINC000662322828 431046096 /nfs/dbraw/zinc/04/60/96/431046096.db2.gz ITNIMUQEVRTOJN-MRXNPFEDSA-N 2 1 300.487 2.624 20 0 DFADMP Cc1ccccc1OCCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662323869 431046582 /nfs/dbraw/zinc/04/65/82/431046582.db2.gz SLZAYXZZYSIGIF-SFHVURJKSA-N 2 1 320.477 2.807 20 0 DFADMP COc1ccccc1CCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662325675 431047108 /nfs/dbraw/zinc/04/71/08/431047108.db2.gz PGOWQBLSQSLOBH-SFHVURJKSA-N 2 1 320.477 2.670 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](C[C@@H]2CCC3(CCCC3)O2)CCO1 ZINC000662323733 431047954 /nfs/dbraw/zinc/04/79/54/431047954.db2.gz PUPWSUDNCRLYLF-IRXDYDNUSA-N 2 1 310.482 2.521 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCC3(CCCC3)O2)CCO1 ZINC000662323733 431047959 /nfs/dbraw/zinc/04/79/59/431047959.db2.gz PUPWSUDNCRLYLF-IRXDYDNUSA-N 2 1 310.482 2.521 20 0 DFADMP COc1ccc([C@H](C)C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662325071 431048146 /nfs/dbraw/zinc/04/81/46/431048146.db2.gz BLWLLUGAZBGMOF-VQIMIIECSA-N 2 1 320.477 2.841 20 0 DFADMP CSc1cccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662326658 431048599 /nfs/dbraw/zinc/04/85/99/431048599.db2.gz YJLZSSBZSUDYHO-MRXNPFEDSA-N 2 1 308.491 2.951 20 0 DFADMP CSc1cccc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662326658 431048605 /nfs/dbraw/zinc/04/86/05/431048605.db2.gz YJLZSSBZSUDYHO-MRXNPFEDSA-N 2 1 308.491 2.951 20 0 DFADMP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@](C)(C(F)F)O1 ZINC000662334994 431051852 /nfs/dbraw/zinc/05/18/52/431051852.db2.gz FWWHINQJKLFIHK-YVEFUNNKSA-N 2 1 310.388 2.577 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cccc3c2CC[NH2+]C3)C[C@](C)(C(F)F)O1 ZINC000662334994 431051858 /nfs/dbraw/zinc/05/18/58/431051858.db2.gz FWWHINQJKLFIHK-YVEFUNNKSA-N 2 1 310.388 2.577 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000662387115 431070127 /nfs/dbraw/zinc/07/01/27/431070127.db2.gz BMSBYCHXMWTHIU-QAPCUYQASA-N 2 1 317.477 2.675 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1)C1CCCCC1 ZINC000649294021 431058009 /nfs/dbraw/zinc/05/80/09/431058009.db2.gz ZKZJGYCIUOPDPG-INIZCTEOSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318868 431065510 /nfs/dbraw/zinc/06/55/10/431065510.db2.gz QSQRYUWJCONFDE-ZENOOKHLSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649318868 431065512 /nfs/dbraw/zinc/06/55/12/431065512.db2.gz QSQRYUWJCONFDE-ZENOOKHLSA-N 2 1 323.868 2.719 20 0 DFADMP c1ccc(CC[C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251106 431014561 /nfs/dbraw/zinc/01/45/61/431014561.db2.gz YWUUMXVSCNPRPH-MSOLQXFVSA-N 2 1 300.446 2.605 20 0 DFADMP CC(C)c1ncc2c(n1)C[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662255208 431015568 /nfs/dbraw/zinc/01/55/68/431015568.db2.gz BDCVISXGCNRZCH-UHFFFAOYSA-N 2 1 322.456 2.804 20 0 DFADMP CC(C)c1ncc2c(n1)C[N@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662255208 431015572 /nfs/dbraw/zinc/01/55/72/431015572.db2.gz BDCVISXGCNRZCH-UHFFFAOYSA-N 2 1 322.456 2.804 20 0 DFADMP C[C@@H]1SCC[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)[C@H]1c1ccccc1 ZINC000662254975 431017033 /nfs/dbraw/zinc/01/70/33/431017033.db2.gz NDDBVYOZPUSBGL-BHYGNILZSA-N 2 1 318.486 2.686 20 0 DFADMP C[N@@H+](CCCOc1ccc(Cl)cc1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254002 431017105 /nfs/dbraw/zinc/01/71/05/431017105.db2.gz YCLYAIVDCHMBEN-MRXNPFEDSA-N 2 1 324.852 2.562 20 0 DFADMP Clc1ccccc1C[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662253022 431017203 /nfs/dbraw/zinc/01/72/03/431017203.db2.gz GLHHJFKKGKDQEZ-HZPDHXFCSA-N 2 1 320.864 2.868 20 0 DFADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256290 431019376 /nfs/dbraw/zinc/01/93/76/431019376.db2.gz UUNLQYCBXVKKRY-SJORKVTESA-N 2 1 318.486 2.606 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCCN(C(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000645941818 431123073 /nfs/dbraw/zinc/12/30/73/431123073.db2.gz ICOMHVNJIKEIKE-INIZCTEOSA-N 2 1 318.465 2.654 20 0 DFADMP C[N@@H+](CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)C1CCCCC1 ZINC000662414503 431076280 /nfs/dbraw/zinc/07/62/80/431076280.db2.gz AEPMHEAYDHJPOA-GOSISDBHSA-N 2 1 315.461 2.602 20 0 DFADMP CC(C)C[N@@H+](C)CCCNC(=O)CC[NH+](C)C1CCCCC1 ZINC000652523040 431079686 /nfs/dbraw/zinc/07/96/86/431079686.db2.gz CZZVFTZQTIRGCG-UHFFFAOYSA-N 2 1 311.514 2.735 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)CC[N@H+](C)C1CCCCC1 ZINC000652523040 431079692 /nfs/dbraw/zinc/07/96/92/431079692.db2.gz CZZVFTZQTIRGCG-UHFFFAOYSA-N 2 1 311.514 2.735 20 0 DFADMP CC(C)C[NH+](C)CCCNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000652523040 431079695 /nfs/dbraw/zinc/07/96/95/431079695.db2.gz CZZVFTZQTIRGCG-UHFFFAOYSA-N 2 1 311.514 2.735 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)c1cccc2c1C[NH2+]C2 ZINC000662428490 431080124 /nfs/dbraw/zinc/08/01/24/431080124.db2.gz CICPVJZLEQZAPS-INIZCTEOSA-N 2 1 315.461 2.674 20 0 DFADMP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000655683210 431081281 /nfs/dbraw/zinc/08/12/81/431081281.db2.gz PUEOOBOTXTWFKP-MAUKXSAKSA-N 2 1 320.502 2.893 20 0 DFADMP c1ccc(SCC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655683918 431082851 /nfs/dbraw/zinc/08/28/51/431082851.db2.gz XMBQOFHIUWXZTM-INIZCTEOSA-N 2 1 306.475 2.622 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662448856 431083454 /nfs/dbraw/zinc/08/34/54/431083454.db2.gz QSVQGTFWTAFFCT-AEFFLSMTSA-N 2 1 324.428 2.590 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)CC[C@H]([NH3+])c2ccccc2)C1 ZINC000662589355 431125587 /nfs/dbraw/zinc/12/55/87/431125587.db2.gz BMZUILMLKLTFSM-WBVHZDCISA-N 2 1 317.477 2.703 20 0 DFADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)CC2 ZINC000655698887 431087914 /nfs/dbraw/zinc/08/79/14/431087914.db2.gz YXFXFCXJAFAZKG-SFHVURJKSA-N 2 1 302.462 2.727 20 0 DFADMP Cc1cc(C)c(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(C)c1 ZINC000655704477 431089311 /nfs/dbraw/zinc/08/93/11/431089311.db2.gz ZGBRSJUAAFKBMZ-SFHVURJKSA-N 2 1 302.462 2.955 20 0 DFADMP c1cnc2c(c1)cccc2C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655703410 431090246 /nfs/dbraw/zinc/09/02/46/431090246.db2.gz PMPWRUSMIIMQGW-SFHVURJKSA-N 2 1 311.429 2.578 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000655708156 431092451 /nfs/dbraw/zinc/09/24/51/431092451.db2.gz FRJHWVXAXJUAEU-GOSISDBHSA-N 2 1 320.452 2.946 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccc(F)cc1F ZINC000655718379 431096215 /nfs/dbraw/zinc/09/62/15/431096215.db2.gz MTKHDSGKFMLYRO-CJNGLKHVSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@H](CCc1cccn1C)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655718881 431098310 /nfs/dbraw/zinc/09/83/10/431098310.db2.gz FKSFBPGQZDKGIW-VQIMIIECSA-N 2 1 319.493 2.579 20 0 DFADMP CCN(C(=O)C[NH2+]C(C)C)[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503821 431099437 /nfs/dbraw/zinc/09/94/37/431099437.db2.gz XWWBWKUZLATXOL-WMZOPIPTSA-N 2 1 317.477 2.668 20 0 DFADMP c1ccc([C@@H]2C[C@@H]2C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655726767 431102780 /nfs/dbraw/zinc/10/27/80/431102780.db2.gz DXIGCPLCPOSHMX-QRQLOZEOSA-N 2 1 300.446 2.633 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CCC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000645895804 431104897 /nfs/dbraw/zinc/10/48/97/431104897.db2.gz NGSUYTMTXQVXOO-AQNXPRMDSA-N 2 1 314.473 2.867 20 0 DFADMP C([C@H]1CCCO1)[NH+]1CCC([NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC000655733341 431105177 /nfs/dbraw/zinc/10/51/77/431105177.db2.gz LJPFUBSWWGNPSW-ZWKOTPCHSA-N 2 1 322.493 2.711 20 0 DFADMP C[N@@H+](CCc1c(F)cccc1F)C[C@H]1CCn2ccnc2C1 ZINC000645892753 431105245 /nfs/dbraw/zinc/10/52/45/431105245.db2.gz QKTPNWRMLBBCRC-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@H+](CCc1c(F)cccc1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000645892753 431105249 /nfs/dbraw/zinc/10/52/49/431105249.db2.gz QKTPNWRMLBBCRC-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1c(F)cccc1F)C[C@H]1CCn2cc[nH+]c2C1 ZINC000645892753 431105251 /nfs/dbraw/zinc/10/52/51/431105251.db2.gz QKTPNWRMLBBCRC-ZDUSSCGKSA-N 2 1 305.372 2.898 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000662526545 431107207 /nfs/dbraw/zinc/10/72/07/431107207.db2.gz GYKSHIFDTOROKI-XWTMOSNGSA-N 2 1 323.525 2.861 20 0 DFADMP CC1(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)Cc2ccccc2C1 ZINC000655737143 431107394 /nfs/dbraw/zinc/10/73/94/431107394.db2.gz VWPUILDOJLDQJC-IBGZPJMESA-N 2 1 314.473 2.634 20 0 DFADMP FC(F)(F)C1CC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C1 ZINC000655767983 431128811 /nfs/dbraw/zinc/12/88/11/431128811.db2.gz BIZAIBXMLNCBPK-UXUKBGGZSA-N 2 1 306.372 2.560 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](CCN2CC[NH+](Cc3cccs3)CC2)C1 ZINC000659832004 431130102 /nfs/dbraw/zinc/13/01/02/431130102.db2.gz MPMDRJQSUHAYGP-IRXDYDNUSA-N 2 1 321.534 2.844 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000271257886 279037160 /nfs/dbraw/zinc/03/71/60/279037160.db2.gz HNKQEPZMTJAWNK-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP CC[NH+](C)C[C@@H]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000271257886 279037163 /nfs/dbraw/zinc/03/71/63/279037163.db2.gz HNKQEPZMTJAWNK-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP CC[NH+](C)C[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271257886 279037164 /nfs/dbraw/zinc/03/71/64/279037164.db2.gz HNKQEPZMTJAWNK-RBUKOAKNSA-N 2 1 301.478 2.535 20 0 DFADMP Cc1ccc(F)c(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000655771770 431127937 /nfs/dbraw/zinc/12/79/37/431127937.db2.gz FAPFZGZXNWJOAA-QGZVFWFLSA-N 2 1 306.425 2.520 20 0 DFADMP Cc1ccc(F)c(CC[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000655771769 431130790 /nfs/dbraw/zinc/13/07/90/431130790.db2.gz FAPFZGZXNWJOAA-KRWDZBQOSA-N 2 1 306.425 2.520 20 0 DFADMP OC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655777615 431132457 /nfs/dbraw/zinc/13/24/57/431132457.db2.gz XLMWUTLSTYLOKV-OALUTQOASA-N 2 1 324.509 2.551 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1COC2(CCCCCC2)O1 ZINC000180010784 288107119 /nfs/dbraw/zinc/10/71/19/288107119.db2.gz NAYABOAAYANNEZ-QBPKDAKJSA-N 2 1 310.482 2.771 20 0 DFADMP CCN(CCC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)CC(F)(F)F ZINC000354843797 279179822 /nfs/dbraw/zinc/17/98/22/279179822.db2.gz HJWWUTVIFPREQE-ZIAGYGMSSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1)CC(F)(F)F ZINC000354843797 279179823 /nfs/dbraw/zinc/17/98/23/279179823.db2.gz HJWWUTVIFPREQE-ZIAGYGMSSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1)CC(F)(F)F ZINC000354843797 279179825 /nfs/dbraw/zinc/17/98/25/279179825.db2.gz HJWWUTVIFPREQE-ZIAGYGMSSA-N 2 1 309.420 2.675 20 0 DFADMP CCN(CCC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1)CC(F)(F)F ZINC000354843797 279179826 /nfs/dbraw/zinc/17/98/26/279179826.db2.gz HJWWUTVIFPREQE-ZIAGYGMSSA-N 2 1 309.420 2.675 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1sccc1C ZINC000299581187 279302993 /nfs/dbraw/zinc/30/29/93/279302993.db2.gz BAVHNNVQXYJYNT-OAHLLOKOSA-N 2 1 323.506 2.545 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659847742 431140439 /nfs/dbraw/zinc/14/04/39/431140439.db2.gz QMQLGFYMFZRSEK-HNNXBMFYSA-N 2 1 304.425 2.855 20 0 DFADMP Cc1occc1C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000666262640 431169805 /nfs/dbraw/zinc/16/98/05/431169805.db2.gz CGEPPIKAJHPLIH-INIZCTEOSA-N 2 1 300.406 2.753 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000666267396 431170040 /nfs/dbraw/zinc/17/00/40/431170040.db2.gz FLGWLZUXYXXKMI-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@H]1CCC[N@H+](C)C1 ZINC000666267396 431170047 /nfs/dbraw/zinc/17/00/47/431170047.db2.gz FLGWLZUXYXXKMI-OAHLLOKOSA-N 2 1 316.424 2.751 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCOC1 ZINC000659878781 431171111 /nfs/dbraw/zinc/17/11/11/431171111.db2.gz QPDWLUBDTLOHJI-GBESFXJTSA-N 2 1 324.509 2.626 20 0 DFADMP C[N@@H+](CCO)C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659897272 431177858 /nfs/dbraw/zinc/17/78/58/431177858.db2.gz UEXHZVAXYHIDJC-IEBWSBKVSA-N 2 1 316.489 2.959 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+](Cc2cnc3ccccc3n2)C1 ZINC000659901573 431180012 /nfs/dbraw/zinc/18/00/12/431180012.db2.gz WATWGFUTLCNQDG-MRXNPFEDSA-N 2 1 307.401 2.972 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+](Cc2cnc3ccccc3n2)C1 ZINC000659901573 431180017 /nfs/dbraw/zinc/18/00/17/431180017.db2.gz WATWGFUTLCNQDG-MRXNPFEDSA-N 2 1 307.401 2.972 20 0 DFADMP CC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000659912116 431184014 /nfs/dbraw/zinc/18/40/14/431184014.db2.gz GJNFRHMTUMMLCY-AEFFLSMTSA-N 2 1 322.493 2.649 20 0 DFADMP CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000659912116 431184022 /nfs/dbraw/zinc/18/40/22/431184022.db2.gz GJNFRHMTUMMLCY-AEFFLSMTSA-N 2 1 322.493 2.649 20 0 DFADMP CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@H](C)Cc1ccc(OC)cc1 ZINC000659912116 431184030 /nfs/dbraw/zinc/18/40/30/431184030.db2.gz GJNFRHMTUMMLCY-AEFFLSMTSA-N 2 1 322.493 2.649 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@H]2C[C@H]([NH3+])C2)c1 ZINC000662751460 431185285 /nfs/dbraw/zinc/18/52/85/431185285.db2.gz BUAKNGMWLNMHAI-IYARVYRRSA-N 2 1 317.477 2.662 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+]([C@H]1CCCc3ccc(F)cc31)CCO2 ZINC000646105714 431187753 /nfs/dbraw/zinc/18/77/53/431187753.db2.gz DKZZSKHFXBFRHF-SFHVURJKSA-N 2 1 318.436 3.000 20 0 DFADMP C[C@H]1CCN(C[C@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000649545751 431153701 /nfs/dbraw/zinc/15/37/01/431153701.db2.gz QPADWRSTWFARMZ-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CCN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000649545751 431153707 /nfs/dbraw/zinc/15/37/07/431153707.db2.gz QPADWRSTWFARMZ-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CCN(C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000649545751 431153713 /nfs/dbraw/zinc/15/37/13/431153713.db2.gz QPADWRSTWFARMZ-PKOBYXMFSA-N 2 1 301.478 2.677 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667783 431158209 /nfs/dbraw/zinc/15/82/09/431158209.db2.gz DKMIBIFFRNRVQR-YJBOKZPZSA-N 2 1 315.461 2.518 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667783 431158216 /nfs/dbraw/zinc/15/82/16/431158216.db2.gz DKMIBIFFRNRVQR-YJBOKZPZSA-N 2 1 315.461 2.518 20 0 DFADMP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000655805967 431158804 /nfs/dbraw/zinc/15/88/04/431158804.db2.gz OHESMGNNBPQAHZ-PUZFROQSSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H](C)C[NH+](CCN2CCC[N@H+](C3CCCC3)CC2)C1 ZINC000659946021 431203380 /nfs/dbraw/zinc/20/33/80/431203380.db2.gz YTTDRDIKDRHKSN-QZTJIDSGSA-N 2 1 307.526 2.915 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC2([NH3+])CCC2)cc1 ZINC000646174967 431215942 /nfs/dbraw/zinc/21/59/42/431215942.db2.gz BXNBSLDQTGYPGL-ZDUSSCGKSA-N 2 1 312.417 2.629 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[NH+]1CCCCC1)c1ccccc1 ZINC000652989001 431216543 /nfs/dbraw/zinc/21/65/43/431216543.db2.gz RWSBHFDXVURGOH-GOSISDBHSA-N 2 1 317.477 2.624 20 0 DFADMP C[C@@H]1C[C@H](CCNC(=O)CC(C)(C)[NH3+])C[N@H+]1Cc1ccccc1 ZINC000646264407 431247650 /nfs/dbraw/zinc/24/76/50/431247650.db2.gz ZVIDXBDHANKCLV-WBVHZDCISA-N 2 1 317.477 2.531 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CCC[N@@H+](CC3CC3)C2)cc1 ZINC000663005852 431255387 /nfs/dbraw/zinc/25/53/87/431255387.db2.gz YPEOAVWGOQCDEC-GDBMZVCRSA-N 2 1 315.461 2.558 20 0 DFADMP Cc1cc(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)nc(C)n1 ZINC000660116205 431277635 /nfs/dbraw/zinc/27/76/35/431277635.db2.gz WSHMHKCJXMSGGP-YJBOKZPZSA-N 2 1 300.450 2.542 20 0 DFADMP CC(C)c1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000660144986 431291309 /nfs/dbraw/zinc/29/13/09/431291309.db2.gz KRKAOXMPXVCZTO-UHFFFAOYSA-N 2 1 303.494 2.879 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000660201439 431316700 /nfs/dbraw/zinc/31/67/00/431316700.db2.gz HLRDIVQLUWEQQK-LPHOPBHVSA-N 2 1 319.493 2.639 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1cccc(N2CCCC2)c1 ZINC000660201439 431316706 /nfs/dbraw/zinc/31/67/06/431316706.db2.gz HLRDIVQLUWEQQK-LPHOPBHVSA-N 2 1 319.493 2.639 20 0 DFADMP CC(C)[C@@H]([NH3+])CC(=O)Nc1nc(C[NH+]2CCCCCC2)cs1 ZINC000646401668 431297675 /nfs/dbraw/zinc/29/76/75/431297675.db2.gz PKLFTYOTXTXVQD-AWEZNQCLSA-N 2 1 324.494 2.831 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)C1 ZINC000656197089 431304048 /nfs/dbraw/zinc/30/40/48/431304048.db2.gz BURGSFNYCUIYBF-ARFHVFGLSA-N 2 1 307.507 2.820 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](NC[C@@H]2CCC[N@@H+](Cc3cccs3)C2)C1 ZINC000656197089 431304057 /nfs/dbraw/zinc/30/40/57/431304057.db2.gz BURGSFNYCUIYBF-ARFHVFGLSA-N 3 1 307.507 2.820 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@@H]1C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000653200623 431306560 /nfs/dbraw/zinc/30/65/60/431306560.db2.gz KSGPYSGMTRWLEO-IRXDYDNUSA-N 2 1 309.498 2.535 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653200233 431306992 /nfs/dbraw/zinc/30/69/92/431306992.db2.gz ZQPNSWVSYGMMGL-ZWKOTPCHSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCN(Cc3ccccc3)CC[C@@H]2C)CC[NH2+]1 ZINC000666636653 431310629 /nfs/dbraw/zinc/31/06/29/431310629.db2.gz CQTWWNVNJBTHPZ-WSTZPKSXSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCN(c3ccccc3F)C[C@H]2C)CC[NH2+]1 ZINC000666699157 431329994 /nfs/dbraw/zinc/32/99/94/431329994.db2.gz XJFYLDRQGAYARJ-OAGGEKHMSA-N 2 1 305.441 2.724 20 0 DFADMP CC(C)CNC(=O)CCC[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000660256000 431344084 /nfs/dbraw/zinc/34/40/84/431344084.db2.gz HNAIASHCISRPFK-DLBZAZTESA-N 2 1 323.525 2.781 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000666753629 431346530 /nfs/dbraw/zinc/34/65/30/431346530.db2.gz GRSAUSLOUZQTCN-UHFFFAOYSA-N 2 1 302.422 2.692 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000653279589 431349755 /nfs/dbraw/zinc/34/97/55/431349755.db2.gz RRSORJQKMJRWIA-HFTRVMKXSA-N 2 1 304.434 2.556 20 0 DFADMP FC1(F)C[C@]12CC[NH+](CCC[N@@H+]1CC[C@]3(CC3(F)F)C1)C2 ZINC000649907177 431361477 /nfs/dbraw/zinc/36/14/77/431361477.db2.gz KQOSQEDPMICMGC-STQMWFEESA-N 2 1 306.347 2.839 20 0 DFADMP CC(C)C[C@H](CN)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666798866 431363117 /nfs/dbraw/zinc/36/31/17/431363117.db2.gz NNSSJOSENDJHBU-GOSISDBHSA-N 2 1 319.493 2.624 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000666798866 431363123 /nfs/dbraw/zinc/36/31/23/431363123.db2.gz NNSSJOSENDJHBU-GOSISDBHSA-N 3 1 319.493 2.624 20 0 DFADMP C[N@@H+](C[C@H]1CCn2ccnc2C1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000656504268 431412869 /nfs/dbraw/zinc/41/28/69/431412869.db2.gz RRYQCVKNIYEAMU-OALUTQOASA-N 2 1 324.472 2.652 20 0 DFADMP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)cc1OC ZINC000663347531 431376805 /nfs/dbraw/zinc/37/68/05/431376805.db2.gz NRBWGOMEKJTNOG-KRWDZBQOSA-N 2 1 318.461 2.915 20 0 DFADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c1C ZINC000663346192 431378001 /nfs/dbraw/zinc/37/80/01/431378001.db2.gz QHSPAYMRAPVQPH-QGZVFWFLSA-N 2 1 304.482 2.731 20 0 DFADMP CCn1nc(C)c(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c1C ZINC000663346192 431378006 /nfs/dbraw/zinc/37/80/06/431378006.db2.gz QHSPAYMRAPVQPH-QGZVFWFLSA-N 2 1 304.482 2.731 20 0 DFADMP CN(C)c1ccccc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663345317 431378134 /nfs/dbraw/zinc/37/81/34/431378134.db2.gz IFTRMZONWCWXSX-QGZVFWFLSA-N 2 1 301.478 2.964 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[NH+]2[C@@H]2CCOC2)cc1 ZINC000656407937 431380040 /nfs/dbraw/zinc/38/00/40/431380040.db2.gz VCXJUPNYOCRUJT-MDMHHNQBSA-N 2 1 312.457 2.618 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@@H+]2[C@@H]2CCOC2)cc1 ZINC000656407937 431380046 /nfs/dbraw/zinc/38/00/46/431380046.db2.gz VCXJUPNYOCRUJT-MDMHHNQBSA-N 2 1 312.457 2.618 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2[C@@H]2CCOC2)cc1 ZINC000656407937 431380050 /nfs/dbraw/zinc/38/00/50/431380050.db2.gz VCXJUPNYOCRUJT-MDMHHNQBSA-N 2 1 312.457 2.618 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)C[C@H](C)O1 ZINC000245902525 288161035 /nfs/dbraw/zinc/16/10/35/288161035.db2.gz OBAZCYPDKLYCOL-IGKNDFSCSA-N 2 1 324.509 2.669 20 0 DFADMP C[NH2+]C[C@H]1CCCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000653472519 431392769 /nfs/dbraw/zinc/39/27/69/431392769.db2.gz SIQBFKFUTYHESY-OAHLLOKOSA-N 2 1 317.481 2.539 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c2O1 ZINC000666993790 431438229 /nfs/dbraw/zinc/43/82/29/431438229.db2.gz JZNCVQRTSVLDHF-GFCCVEGCSA-N 2 1 310.344 2.772 20 0 DFADMP CC(C)(C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(F)(F)F ZINC000663478219 431439029 /nfs/dbraw/zinc/43/90/29/431439029.db2.gz PAGJWMRZTXKEGU-CYBMUJFWSA-N 2 1 308.388 2.808 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)n1-c1ccccc1 ZINC000666996813 431439067 /nfs/dbraw/zinc/43/90/67/431439067.db2.gz GUFFNTYOGAJFBS-MRXNPFEDSA-N 2 1 310.445 2.945 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)s1 ZINC000666998185 431441241 /nfs/dbraw/zinc/44/12/41/431441241.db2.gz HAFKFPDZMSSMIB-CYBMUJFWSA-N 2 1 308.495 2.754 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@@H+]1CCNC[C@H]1c1ccccc1Cl ZINC000663495251 431442537 /nfs/dbraw/zinc/44/25/37/431442537.db2.gz WIEIYBDPNLAMBV-KEYYUXOJSA-N 2 1 307.869 2.532 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1C[N@H+]1CCNC[C@H]1c1ccccc1Cl ZINC000663495251 431442543 /nfs/dbraw/zinc/44/25/43/431442543.db2.gz WIEIYBDPNLAMBV-KEYYUXOJSA-N 2 1 307.869 2.532 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)c1 ZINC000667039018 431453644 /nfs/dbraw/zinc/45/36/44/431453644.db2.gz GDZXQOQYFNFLOR-UKRRQHHQSA-N 2 1 314.433 2.502 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN[C@@H](c1cccc(F)c1)C1CCCC1 ZINC000653606530 431456474 /nfs/dbraw/zinc/45/64/74/431456474.db2.gz OXJLPQALBCLWNZ-ZWKOTPCHSA-N 2 1 308.441 2.959 20 0 DFADMP CCN(C)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000653606530 431456478 /nfs/dbraw/zinc/45/64/78/431456478.db2.gz OXJLPQALBCLWNZ-ZWKOTPCHSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000653606530 431456488 /nfs/dbraw/zinc/45/64/88/431456488.db2.gz OXJLPQALBCLWNZ-ZWKOTPCHSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](c1cccc(F)c1)C1CCCC1 ZINC000653606530 431456494 /nfs/dbraw/zinc/45/64/94/431456494.db2.gz OXJLPQALBCLWNZ-ZWKOTPCHSA-N 2 1 308.441 2.959 20 0 DFADMP C[C@@H]([NH2+]CCCc1cncn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000653614042 431460462 /nfs/dbraw/zinc/46/04/62/431460462.db2.gz LKKGGVJGPKWZSL-HZPDHXFCSA-N 3 1 304.482 2.595 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000653614042 431460480 /nfs/dbraw/zinc/46/04/80/431460480.db2.gz LKKGGVJGPKWZSL-HZPDHXFCSA-N 3 1 304.482 2.595 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000653622859 431465857 /nfs/dbraw/zinc/46/58/57/431465857.db2.gz XULCZTOONLZJPY-QRQLOZEOSA-N 2 1 320.477 2.587 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1Oc1cccc(C)c1 ZINC000653622859 431465863 /nfs/dbraw/zinc/46/58/63/431465863.db2.gz XULCZTOONLZJPY-QRQLOZEOSA-N 2 1 320.477 2.587 20 0 DFADMP CC(C)[C@@H](C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000660536218 431478918 /nfs/dbraw/zinc/47/89/18/431478918.db2.gz FNDRTWTWPVGMIF-UYAOXDASSA-N 2 1 315.505 2.923 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)C1CCC1 ZINC000660435780 431427768 /nfs/dbraw/zinc/42/77/68/431427768.db2.gz QNJOJIJXLOMQED-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435780 431427770 /nfs/dbraw/zinc/42/77/70/431427770.db2.gz QNJOJIJXLOMQED-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435780 431427775 /nfs/dbraw/zinc/42/77/75/431427775.db2.gz QNJOJIJXLOMQED-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@H](C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435780 431427780 /nfs/dbraw/zinc/42/77/80/431427780.db2.gz QNJOJIJXLOMQED-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP CO[C@H](C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)C1CCC1 ZINC000660435780 431427785 /nfs/dbraw/zinc/42/77/85/431427785.db2.gz QNJOJIJXLOMQED-IEBWSBKVSA-N 2 1 317.477 2.650 20 0 DFADMP O[C@@H]1CCC[C@H](C[N@@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445265 431434353 /nfs/dbraw/zinc/43/43/53/431434353.db2.gz APMPMUSWMLVBEY-VNTMZGSJSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@@H]1CCC[C@H](C[NH+]2C[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445265 431434358 /nfs/dbraw/zinc/43/43/58/431434358.db2.gz APMPMUSWMLVBEY-VNTMZGSJSA-N 2 1 314.473 2.601 20 0 DFADMP O[C@@H]1CCC[C@H](C[NH+]2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)C1 ZINC000660445265 431434364 /nfs/dbraw/zinc/43/43/64/431434364.db2.gz APMPMUSWMLVBEY-VNTMZGSJSA-N 2 1 314.473 2.601 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468546 431434920 /nfs/dbraw/zinc/43/49/20/431434920.db2.gz MATGOLHQVBCHJI-VQTJNVASSA-N 2 1 316.489 2.956 20 0 DFADMP COC[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468545 431435299 /nfs/dbraw/zinc/43/52/99/431435299.db2.gz MATGOLHQVBCHJI-UXHICEINSA-N 2 1 316.489 2.956 20 0 DFADMP [NH3+]CC1(CCNc2cc[nH+]c3ccc(Br)cc23)CC1 ZINC000650301581 431517358 /nfs/dbraw/zinc/51/73/58/431517358.db2.gz XXUQGJOCAPYJRT-UHFFFAOYSA-N 2 1 320.234 2.960 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785920 431522025 /nfs/dbraw/zinc/52/20/25/431522025.db2.gz NGBOXLXFKXKYJN-KRWDZBQOSA-N 2 1 312.461 2.854 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1OC ZINC000656785941 431522260 /nfs/dbraw/zinc/52/22/60/431522260.db2.gz NOFNCOFQLYZXQC-MRXNPFEDSA-N 2 1 318.461 2.915 20 0 DFADMP CN(CCC[N@H+](C)Cc1nsc2ccccc21)CC[NH+](C)C ZINC000660561718 431494318 /nfs/dbraw/zinc/49/43/18/431494318.db2.gz VRRUXOUQRAUNJX-UHFFFAOYSA-N 2 1 320.506 2.612 20 0 DFADMP CN(CCC[N@@H+](C)Cc1nsc2ccccc21)CC[NH+](C)C ZINC000660561718 431494320 /nfs/dbraw/zinc/49/43/20/431494320.db2.gz VRRUXOUQRAUNJX-UHFFFAOYSA-N 2 1 320.506 2.612 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660652544 431532105 /nfs/dbraw/zinc/53/21/05/431532105.db2.gz KBRBNNOIZGBHSA-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH+](C)C3)C2)cc1 ZINC000660652544 431532113 /nfs/dbraw/zinc/53/21/13/431532113.db2.gz KBRBNNOIZGBHSA-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[NH+]2CCC[C@@]3(CC[N@H+](C)C3)C2)cc1 ZINC000660652544 431532119 /nfs/dbraw/zinc/53/21/19/431532119.db2.gz KBRBNNOIZGBHSA-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[NH+]2CCC[C@@]3(CC[N@@H+](C)C3)C2)cc1 ZINC000660652544 431532124 /nfs/dbraw/zinc/53/21/24/431532124.db2.gz KBRBNNOIZGBHSA-IBGZPJMESA-N 2 1 318.461 2.882 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762171 431515747 /nfs/dbraw/zinc/51/57/47/431515747.db2.gz YYAQTPDWZMGZSF-ROUUACIJSA-N 2 1 302.462 2.569 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762171 431515751 /nfs/dbraw/zinc/51/57/51/431515751.db2.gz YYAQTPDWZMGZSF-ROUUACIJSA-N 2 1 302.462 2.569 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+]1C[C@@H](c2ccccc2)C2(CCC2)C1 ZINC000653762171 431515764 /nfs/dbraw/zinc/51/57/64/431515764.db2.gz YYAQTPDWZMGZSF-ROUUACIJSA-N 2 1 302.462 2.569 20 0 DFADMP C[N@H+]1CC[C@@]2(C1)CCC[NH+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661260 431536461 /nfs/dbraw/zinc/53/64/61/431536461.db2.gz BZKZTPSRWNWLOW-QZTJIDSGSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@H+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661260 431536467 /nfs/dbraw/zinc/53/64/67/431536467.db2.gz BZKZTPSRWNWLOW-QZTJIDSGSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C[C@H](O)Cc1cccc(Cl)c1)C2 ZINC000660661260 431536472 /nfs/dbraw/zinc/53/64/72/431536472.db2.gz BZKZTPSRWNWLOW-QZTJIDSGSA-N 2 1 322.880 2.661 20 0 DFADMP COc1ccc([C@H](C)C[NH+]2CCC(CO)([NH2+]C(C)C)CC2)cc1 ZINC000660673690 431545791 /nfs/dbraw/zinc/54/57/91/431545791.db2.gz CHDCKDNCNBIFGO-MRXNPFEDSA-N 2 1 320.477 2.624 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC000660695169 431552970 /nfs/dbraw/zinc/55/29/70/431552970.db2.gz DXAKAPKTFLHLMB-UHFFFAOYSA-N 2 1 324.896 2.955 20 0 DFADMP COc1cc2cc[nH+]c(N[C@@H]3CCn4cc[nH+]c4C3)c2cc1OC ZINC000663820598 431553072 /nfs/dbraw/zinc/55/30/72/431553072.db2.gz PRBAAAXDODGPLL-CYBMUJFWSA-N 2 1 324.384 2.875 20 0 DFADMP Cc1ccc(C[NH+]2CCC(CO)([NH2+]CC(C)C)CC2)c(C)c1 ZINC000660696588 431553109 /nfs/dbraw/zinc/55/31/09/431553109.db2.gz SFAZRDZEBOVNOJ-UHFFFAOYSA-N 2 1 304.478 2.876 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)[NH+]1CCCCC1 ZINC000377662074 280149051 /nfs/dbraw/zinc/14/90/51/280149051.db2.gz LVFPJNBWKOZATK-OKZBNKHCSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H](C1CC1)[NH+](C)C ZINC000360414202 288217747 /nfs/dbraw/zinc/21/77/47/288217747.db2.gz ORYFURPKKPLSBW-LSTHTHJFSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@@H]1c1ccccc1 ZINC000660774845 431593052 /nfs/dbraw/zinc/59/30/52/431593052.db2.gz BZTOEMVGMRHHDV-IPMKNSEASA-N 2 1 304.478 2.956 20 0 DFADMP OC(C[NH+]1CCC[C@H]2CCC[C@H]21)C[N@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000181800976 280398324 /nfs/dbraw/zinc/39/83/24/280398324.db2.gz UKVPWJUNWRTQRK-SCIMBWJRSA-N 2 1 306.494 2.876 20 0 DFADMP OC(C[NH+]1CCC[C@H]2CCC[C@@H]21)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000181800976 280398326 /nfs/dbraw/zinc/39/83/26/280398326.db2.gz UKVPWJUNWRTQRK-SCIMBWJRSA-N 2 1 306.494 2.876 20 0 DFADMP OC(C[NH+]1CCC[C@H]2CCC[C@@H]21)C[N@H+]1CCC[C@H]2CCC[C@H]21 ZINC000181800976 280398329 /nfs/dbraw/zinc/39/83/29/280398329.db2.gz UKVPWJUNWRTQRK-SCIMBWJRSA-N 2 1 306.494 2.876 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000647498372 431604874 /nfs/dbraw/zinc/60/48/74/431604874.db2.gz GBSJWGCGHDQGKY-DGCLKSJQSA-N 2 1 302.340 2.986 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(F)c2)CC[C@H]1[NH3+] ZINC000647498372 431604879 /nfs/dbraw/zinc/60/48/79/431604879.db2.gz GBSJWGCGHDQGKY-DGCLKSJQSA-N 2 1 302.340 2.986 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480327 431600916 /nfs/dbraw/zinc/60/09/16/431600916.db2.gz JSCVOYCOMGDSPN-ROUUACIJSA-N 2 1 314.477 2.646 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480327 431600919 /nfs/dbraw/zinc/60/09/19/431600919.db2.gz JSCVOYCOMGDSPN-ROUUACIJSA-N 2 1 314.477 2.646 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)c2)cn1 ZINC000647479423 431601636 /nfs/dbraw/zinc/60/16/36/431601636.db2.gz GMNBIJRAWOEXMQ-WMLDXEAASA-N 2 1 316.474 2.898 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480689 431602670 /nfs/dbraw/zinc/60/26/70/431602670.db2.gz XJVPKELEKRWDMR-WMLDXEAASA-N 2 1 304.482 2.509 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480689 431602677 /nfs/dbraw/zinc/60/26/77/431602677.db2.gz XJVPKELEKRWDMR-WMLDXEAASA-N 2 1 304.482 2.509 20 0 DFADMP CCOc1ccc(C[N@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647483072 431602735 /nfs/dbraw/zinc/60/27/35/431602735.db2.gz WYAHOGZFJPGEQM-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1ccc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647483072 431602740 /nfs/dbraw/zinc/60/27/40/431602740.db2.gz WYAHOGZFJPGEQM-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCC[C@H]1c1ccccc1 ZINC000660774844 431591631 /nfs/dbraw/zinc/59/16/31/431591631.db2.gz BZTOEMVGMRHHDV-GBESFXJTSA-N 2 1 304.478 2.956 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1F ZINC000650707136 431653607 /nfs/dbraw/zinc/65/36/07/431653607.db2.gz ZGXSVDBAQKJXOP-BQFCYCMXSA-N 2 1 306.425 2.852 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650708316 431654995 /nfs/dbraw/zinc/65/49/95/431654995.db2.gz XRQCJUBZBFCIGS-GBESFXJTSA-N 2 1 317.477 2.541 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCCc1ccc3c(c1)CCO3)C2 ZINC000650709820 431655851 /nfs/dbraw/zinc/65/58/51/431655851.db2.gz RVOVRUKVOKHSNP-HKUYNNGSSA-N 2 1 300.446 2.615 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)ccc1C ZINC000650708340 431655992 /nfs/dbraw/zinc/65/59/92/431655992.db2.gz YDTRSSAEQWCDCZ-LNLFQRSKSA-N 2 1 318.461 2.722 20 0 DFADMP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2cc3n(n2)CCC3)cc1 ZINC000657297342 431656134 /nfs/dbraw/zinc/65/61/34/431656134.db2.gz LZUQIPQAIZZIIJ-UHFFFAOYSA-N 2 1 312.461 2.961 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000650709531 431656539 /nfs/dbraw/zinc/65/65/39/431656539.db2.gz DOLNGPQMUUCMOJ-ICSRJNTNSA-N 2 1 324.472 2.956 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cn1 ZINC000650712058 431659227 /nfs/dbraw/zinc/65/92/27/431659227.db2.gz PCGWHCSVJRFKPU-WBVHZDCISA-N 2 1 304.482 2.876 20 0 DFADMP [NH3+]CC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000650713824 431659248 /nfs/dbraw/zinc/65/92/48/431659248.db2.gz DFPINLQWZWHAKV-YQQQUEKLSA-N 3 1 313.489 2.901 20 0 DFADMP [NH3+]CC1(CC[NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000650713824 431659250 /nfs/dbraw/zinc/65/92/50/431659250.db2.gz DFPINLQWZWHAKV-YQQQUEKLSA-N 2 1 313.489 2.901 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@H](C[NH3+])C2)c(-c2cc3ccccc3o2)n1 ZINC000647490834 431605154 /nfs/dbraw/zinc/60/51/54/431605154.db2.gz UCYPIGYLTZKJHB-CYBMUJFWSA-N 2 1 310.401 2.614 20 0 DFADMP C[C@H]1C[N@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647496558 431606063 /nfs/dbraw/zinc/60/60/63/431606063.db2.gz UTASYJQGLPJNTL-SUMWQHHRSA-N 2 1 318.852 2.754 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cnn(Cc3ccccc3Cl)c2)CC[C@H]1[NH3+] ZINC000647496558 431606070 /nfs/dbraw/zinc/60/60/70/431606070.db2.gz UTASYJQGLPJNTL-SUMWQHHRSA-N 2 1 318.852 2.754 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498279 431606313 /nfs/dbraw/zinc/60/63/13/431606313.db2.gz DMWWTGKXOBVUKZ-CABCVRRESA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CC[C@H]([NH3+])[C@H](CC)C2)cc1OC ZINC000647498279 431606317 /nfs/dbraw/zinc/60/63/17/431606317.db2.gz DMWWTGKXOBVUKZ-CABCVRRESA-N 2 1 322.449 2.662 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)CC[C@@H]1[NH3+] ZINC000647497853 431606450 /nfs/dbraw/zinc/60/64/50/431606450.db2.gz YECWHQLCMVGTCN-WFASDCNBSA-N 2 1 304.463 2.708 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000647497368 431606583 /nfs/dbraw/zinc/60/65/83/431606583.db2.gz FBKNWJXDLUCKNR-IUODEOHRSA-N 2 1 302.447 2.764 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)CC[C@H]1[NH3+] ZINC000647497368 431606588 /nfs/dbraw/zinc/60/65/88/431606588.db2.gz FBKNWJXDLUCKNR-IUODEOHRSA-N 2 1 302.447 2.764 20 0 DFADMP COc1cccc(-c2n[nH]cc2C[N@@H+](C)CC[C@H]([NH3+])C(C)C)c1 ZINC000647506216 431609191 /nfs/dbraw/zinc/60/91/91/431609191.db2.gz SMTMQUMCQPKFCK-KRWDZBQOSA-N 2 1 316.449 2.891 20 0 DFADMP C[N@@H+](Cc1cc(-c2ccco2)on1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000663976390 431611168 /nfs/dbraw/zinc/61/11/68/431611168.db2.gz NRRQTFHJKZHWCW-CYBMUJFWSA-N 2 1 312.373 2.826 20 0 DFADMP C[N@H+](Cc1cc(-c2ccco2)on1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000663976390 431611174 /nfs/dbraw/zinc/61/11/74/431611174.db2.gz NRRQTFHJKZHWCW-CYBMUJFWSA-N 2 1 312.373 2.826 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1cn2cccc(F)c2n1)CC1CCCC1 ZINC000647541403 431623329 /nfs/dbraw/zinc/62/33/29/431623329.db2.gz UQTGOIKAHDHMBO-UHFFFAOYSA-N 2 1 304.413 2.814 20 0 DFADMP [NH3+]CCC[N@H+](Cc1cn2cccc(F)c2n1)CC1CCCC1 ZINC000647541403 431623335 /nfs/dbraw/zinc/62/33/35/431623335.db2.gz UQTGOIKAHDHMBO-UHFFFAOYSA-N 2 1 304.413 2.814 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2cscc2Cl)CC12CCOCC2 ZINC000647545436 431623659 /nfs/dbraw/zinc/62/36/59/431623659.db2.gz HKBWLVLPPGSWIN-LBPRGKRZSA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2cscc2Cl)CC12CCOCC2 ZINC000647545436 431623668 /nfs/dbraw/zinc/62/36/68/431623668.db2.gz HKBWLVLPPGSWIN-LBPRGKRZSA-N 2 1 300.855 2.589 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544352 431624862 /nfs/dbraw/zinc/62/48/62/431624862.db2.gz ZEXKGCFCAKFSBH-SJORKVTESA-N 2 1 304.482 2.984 20 0 DFADMP Cc1cccc2ncc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n21 ZINC000647543103 431625818 /nfs/dbraw/zinc/62/58/18/431625818.db2.gz HRQCFMRTTCARBE-IRXDYDNUSA-N 2 1 312.461 2.854 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc1 ZINC000647543423 431626411 /nfs/dbraw/zinc/62/64/11/431626411.db2.gz NDZHTBXXEZKQLQ-HZPDHXFCSA-N 2 1 303.450 2.692 20 0 DFADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C1 ZINC000647549162 431628525 /nfs/dbraw/zinc/62/85/25/431628525.db2.gz KOLRLKXQLDFMAG-GJZGRUSLSA-N 2 1 322.880 2.976 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2c3ccccc3oc2CC)C[C@H]1C[NH3+] ZINC000650715267 431661190 /nfs/dbraw/zinc/66/11/90/431661190.db2.gz WRVWFQCPIVMQSL-FZKQIMNGSA-N 2 1 302.418 2.791 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657304375 431661459 /nfs/dbraw/zinc/66/14/59/431661459.db2.gz GLHMUZAWAPHPTA-GOSISDBHSA-N 2 1 306.450 2.674 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657304375 431661464 /nfs/dbraw/zinc/66/14/64/431661464.db2.gz GLHMUZAWAPHPTA-GOSISDBHSA-N 2 1 306.450 2.674 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000660898568 431649380 /nfs/dbraw/zinc/64/93/80/431649380.db2.gz IBJJKZIGKUBASS-RBUKOAKNSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000660898568 431649386 /nfs/dbraw/zinc/64/93/86/431649386.db2.gz IBJJKZIGKUBASS-RBUKOAKNSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000660898568 431649388 /nfs/dbraw/zinc/64/93/88/431649388.db2.gz IBJJKZIGKUBASS-RBUKOAKNSA-N 2 1 322.468 2.924 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@]1(C)Cc1cccc(F)c1 ZINC000660898568 431649393 /nfs/dbraw/zinc/64/93/93/431649393.db2.gz IBJJKZIGKUBASS-RBUKOAKNSA-N 2 1 322.468 2.924 20 0 DFADMP CCc1ncc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)s1 ZINC000650723338 431664763 /nfs/dbraw/zinc/66/47/63/431664763.db2.gz LUBUNKUCPJYZAG-NWANDNLSSA-N 2 1 309.479 2.566 20 0 DFADMP COc1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000650721881 431664925 /nfs/dbraw/zinc/66/49/25/431664925.db2.gz FAHWYICYRCWSDP-LZLYRXPVSA-N 2 1 304.434 2.556 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723539 431665326 /nfs/dbraw/zinc/66/53/26/431665326.db2.gz PUMMCHHHDPNZAD-NXHRZFHOSA-N 2 1 306.425 2.995 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2ccc(F)cc2F)C1 ZINC000650721839 431666874 /nfs/dbraw/zinc/66/68/74/431666874.db2.gz CXAGICRPCQNXFZ-HYVNUMGLSA-N 2 1 310.388 2.826 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c(F)c1 ZINC000650724343 431668068 /nfs/dbraw/zinc/66/80/68/431668068.db2.gz DESWPMPNYCEKAU-OLMNPRSZSA-N 2 1 322.424 2.695 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2Cc2scnc2C2CC2)C1 ZINC000650725212 431669242 /nfs/dbraw/zinc/66/92/42/431669242.db2.gz VVILKLVHRLHUJR-ILXRZTDVSA-N 2 1 321.490 2.881 20 0 DFADMP CCc1cc(NCC2CC[NH+](C3CCOCC3)CC2)nc(C)[nH+]1 ZINC000664150670 431673241 /nfs/dbraw/zinc/67/32/41/431673241.db2.gz IFFBCOGYILLRKO-UHFFFAOYSA-N 2 1 318.465 2.650 20 0 DFADMP Fc1ccc([C@H](NCc2cnc3n2CCC3)[C@@H]2CCCO2)cc1 ZINC000657334517 431682935 /nfs/dbraw/zinc/68/29/35/431682935.db2.gz CDSRLCJLDYZOIL-WMZOPIPTSA-N 2 1 315.392 2.978 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647786533 431685505 /nfs/dbraw/zinc/68/55/05/431685505.db2.gz RCAZLWBCUBWLAG-IPMKNSEASA-N 3 1 301.478 2.616 20 0 DFADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000647796937 431690902 /nfs/dbraw/zinc/69/09/02/431690902.db2.gz RJJCIYLMFSQWDU-YWTNHNAXSA-N 3 1 305.510 2.761 20 0 DFADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1)[C@H]1CCCN1C1CCCCC1 ZINC000647796937 431690906 /nfs/dbraw/zinc/69/09/06/431690906.db2.gz RJJCIYLMFSQWDU-YWTNHNAXSA-N 2 1 305.510 2.761 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000647854878 431708800 /nfs/dbraw/zinc/70/88/00/431708800.db2.gz GNUWMOKREWEMQG-KGLIPLIRSA-N 2 1 314.433 2.733 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(CNc3[nH+]ccc4[nH]ccc43)cc2)C1 ZINC000664234768 431709972 /nfs/dbraw/zinc/70/99/72/431709972.db2.gz AMWYJJZMKKZCQT-INIZCTEOSA-N 2 1 322.412 2.742 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(OCC(C)C)cc2)C[C@H]1C[NH3+] ZINC000650715014 431662605 /nfs/dbraw/zinc/66/26/05/431662605.db2.gz LPPLNCRUCVBKTD-SJLPKXTDSA-N 2 1 306.450 2.517 20 0 DFADMP CC[N@H+]1CCC[C@@H](CN(C)c2ccccn2)[C@H]1c1cnn(C)c1 ZINC000664295383 431727666 /nfs/dbraw/zinc/72/76/66/431727666.db2.gz MTUBMTCWWJEONL-YJBOKZPZSA-N 2 1 313.449 2.725 20 0 DFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000664314419 431734410 /nfs/dbraw/zinc/73/44/10/431734410.db2.gz KJWFGVRDXBERFH-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP Cc1ccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c(C)c1 ZINC000664314419 431734415 /nfs/dbraw/zinc/73/44/15/431734415.db2.gz KJWFGVRDXBERFH-INIZCTEOSA-N 2 1 320.481 2.697 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647936994 431735910 /nfs/dbraw/zinc/73/59/10/431735910.db2.gz PECXHEWQIFRQMS-AEFFLSMTSA-N 2 1 317.477 2.632 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647936994 431735916 /nfs/dbraw/zinc/73/59/16/431735916.db2.gz PECXHEWQIFRQMS-AEFFLSMTSA-N 2 1 317.477 2.632 20 0 DFADMP CN1CCN(C(=O)CC[N@@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661135899 431746361 /nfs/dbraw/zinc/74/63/61/431746361.db2.gz LRGGXPCJDWABPA-UHFFFAOYSA-N 2 1 323.506 2.513 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661135899 431746364 /nfs/dbraw/zinc/74/63/64/431746364.db2.gz LRGGXPCJDWABPA-UHFFFAOYSA-N 2 1 323.506 2.513 20 0 DFADMP C[NH+]1CCN(C(=O)CC[N@@H+](Cc2ccsc2)C(C)(C)C)CC1 ZINC000661135899 431746367 /nfs/dbraw/zinc/74/63/67/431746367.db2.gz LRGGXPCJDWABPA-UHFFFAOYSA-N 2 1 323.506 2.513 20 0 DFADMP CCOc1ccc2c(c1)[C@@H]([NH2+]Cc1cnc(C)n1C)CCO2 ZINC000657438191 431750810 /nfs/dbraw/zinc/75/08/10/431750810.db2.gz WNHSJBYANGPPPL-INIZCTEOSA-N 2 1 301.390 2.741 20 0 DFADMP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1cnn2c1CCC2 ZINC000657440172 431753496 /nfs/dbraw/zinc/75/34/96/431753496.db2.gz TXLCJTICUTTZFU-UHFFFAOYSA-N 2 1 304.482 2.964 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647978000 431762533 /nfs/dbraw/zinc/76/25/33/431762533.db2.gz KTYBLRFRNZYZGS-UONOGXRCSA-N 2 1 308.388 2.667 20 0 DFADMP COc1cc(C[N@@H+](C)CCCC2CC[NH2+]CC2)cc(OC)c1 ZINC000647879540 431715704 /nfs/dbraw/zinc/71/57/04/431715704.db2.gz JIBJXHDQNVBQIU-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647883381 431715993 /nfs/dbraw/zinc/71/59/93/431715993.db2.gz MUFCMGWAATWTLY-AEFFLSMTSA-N 2 1 323.525 2.783 20 0 DFADMP c1nn2c(c1C[NH2+]C1CC[NH+](C3CCCCC3)CC1)CCC2 ZINC000657383565 431717539 /nfs/dbraw/zinc/71/75/39/431717539.db2.gz KJHDWPBKAVTVRS-UHFFFAOYSA-N 2 1 302.466 2.716 20 0 DFADMP Clc1c[nH+]ccc1NCC1CC[NH+](Cc2ccncc2)CC1 ZINC000664283444 431723021 /nfs/dbraw/zinc/72/30/21/431723021.db2.gz QXSMLJAWILFGHC-UHFFFAOYSA-N 2 1 316.836 2.876 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000648028967 431788186 /nfs/dbraw/zinc/78/81/86/431788186.db2.gz OEFHWKHTSGIPGB-MRXNPFEDSA-N 2 1 316.449 2.905 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)o1 ZINC000648028967 431788193 /nfs/dbraw/zinc/78/81/93/431788193.db2.gz OEFHWKHTSGIPGB-MRXNPFEDSA-N 2 1 316.449 2.905 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)CCC[NH+]2CCCC2)o1 ZINC000648030483 431790948 /nfs/dbraw/zinc/79/09/48/431790948.db2.gz ASNAWKCMGLKXHN-UHFFFAOYSA-N 2 1 316.449 2.906 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@@H+](C)CCC[NH+]2CCCC2)o1 ZINC000648030483 431790955 /nfs/dbraw/zinc/79/09/55/431790955.db2.gz ASNAWKCMGLKXHN-UHFFFAOYSA-N 2 1 316.449 2.906 20 0 DFADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CO1 ZINC000657530598 431797949 /nfs/dbraw/zinc/79/79/49/431797949.db2.gz LNDRPAAHJBMQKO-SFHVURJKSA-N 2 1 320.452 2.990 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccccc1C1CC1)CCO2 ZINC000648071573 431808068 /nfs/dbraw/zinc/80/80/68/431808068.db2.gz JCKDKIGYRPGNLY-UHFFFAOYSA-N 2 1 300.446 2.861 20 0 DFADMP Cc1ccc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000648072013 431809603 /nfs/dbraw/zinc/80/96/03/431809603.db2.gz GXTUZVVYYXILJY-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP Cc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1Cl ZINC000648072013 431809606 /nfs/dbraw/zinc/80/96/06/431809606.db2.gz GXTUZVVYYXILJY-UHFFFAOYSA-N 2 1 308.853 2.945 20 0 DFADMP C([C@H]1CC[NH2+]C1)[N@H+]1CCC[C@@H](c2nc3c(s2)CCCC3)C1 ZINC000647990414 431767818 /nfs/dbraw/zinc/76/78/18/431767818.db2.gz YSTWVRFDRYMQKY-UONOGXRCSA-N 2 1 305.491 2.811 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)N3CCCC[C@H]3C)CC2)CC1 ZINC000654377801 431769361 /nfs/dbraw/zinc/76/93/61/431769361.db2.gz XYTNEOHPYLHPOM-MRXNPFEDSA-N 2 1 321.509 2.584 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000657492743 431783436 /nfs/dbraw/zinc/78/34/36/431783436.db2.gz ZWIDOQFMZOTPHE-SJLPKXTDSA-N 2 1 320.477 2.922 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)C1 ZINC000657594210 431820109 /nfs/dbraw/zinc/82/01/09/431820109.db2.gz GLNWPMMGKGJAPQ-LJQANCHMSA-N 2 1 314.404 2.682 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]CC3CCCCC3)cc2)C1 ZINC000657596748 431820615 /nfs/dbraw/zinc/82/06/15/431820615.db2.gz YPAYUPCJKUDCKX-IBGZPJMESA-N 2 1 302.462 2.923 20 0 DFADMP Cc1cccc(C[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657594243 431821168 /nfs/dbraw/zinc/82/11/68/431821168.db2.gz HIEOYBDVXXUTEL-HXUWFJFHSA-N 2 1 310.441 2.851 20 0 DFADMP FC1(F)C[C@H]1OCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000657619836 431826562 /nfs/dbraw/zinc/82/65/62/431826562.db2.gz VBVBSSPQIKJTMT-QGZVFWFLSA-N 2 1 324.415 2.707 20 0 DFADMP Cc1ccc2c(C[N@H+]3CCCC[C@H]3CC[NH3+])cc(=O)oc2c1 ZINC000261993905 281044208 /nfs/dbraw/zinc/04/42/08/281044208.db2.gz UDICGDXRPXBDOP-HNNXBMFYSA-N 2 1 300.402 2.805 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]([NH+]2CCOCC2)C1 ZINC000185325569 281308589 /nfs/dbraw/zinc/30/85/89/281308589.db2.gz DVJIFLLFTNYPSO-MRXNPFEDSA-N 2 1 311.429 2.763 20 0 DFADMP O[C@H](C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccc(Cl)cc1 ZINC000363414593 289091897 /nfs/dbraw/zinc/09/18/97/289091897.db2.gz PFJUZDPCYRSPJS-BZZMCLGOSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1)c1ccc(Cl)cc1 ZINC000363414593 289091899 /nfs/dbraw/zinc/09/18/99/289091899.db2.gz PFJUZDPCYRSPJS-BZZMCLGOSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1)c1ccc(Cl)cc1 ZINC000363414593 289091901 /nfs/dbraw/zinc/09/19/01/289091901.db2.gz PFJUZDPCYRSPJS-BZZMCLGOSA-N 2 1 320.864 2.790 20 0 DFADMP O[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1)c1ccc(Cl)cc1 ZINC000363414593 289091903 /nfs/dbraw/zinc/09/19/03/289091903.db2.gz PFJUZDPCYRSPJS-BZZMCLGOSA-N 2 1 320.864 2.790 20 0 DFADMP COCC[C@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000370005037 292716775 /nfs/dbraw/zinc/71/67/75/292716775.db2.gz FGWLVUYAMKFJAK-MSOLQXFVSA-N 2 1 324.509 2.816 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)[C@@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000178662263 289285199 /nfs/dbraw/zinc/28/51/99/289285199.db2.gz ZWHJXEXPSUVMMV-WWGRRREGSA-N 2 1 323.868 2.576 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=O)C2([NH3+])CCCCC2)[C@H]1c1cccs1 ZINC000372097822 290126667 /nfs/dbraw/zinc/12/66/67/290126667.db2.gz CYEBOEJKDQHZOK-ZFWWWQNUSA-N 2 1 321.490 2.519 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCSCC3)C2)[C@H]2CCC[C@H]21 ZINC000353635279 290224256 /nfs/dbraw/zinc/22/42/56/290224256.db2.gz ZJMLAYUHIPFFIA-WCXIOVBPSA-N 2 1 324.534 2.894 20 0 DFADMP Cc1nc(C)n(C[C@H]2CCCC[N@@H+]2CCC[NH+]2CCCCC2)n1 ZINC000372544128 293248223 /nfs/dbraw/zinc/24/82/23/293248223.db2.gz GBLQGGLYWBCYNG-GOSISDBHSA-N 2 1 319.497 2.625 20 0 DFADMP Cc1nc(C)n(C[C@H]2CCCC[N@H+]2CCC[NH+]2CCCCC2)n1 ZINC000372544128 293248225 /nfs/dbraw/zinc/24/82/25/293248225.db2.gz GBLQGGLYWBCYNG-GOSISDBHSA-N 2 1 319.497 2.625 20 0 DFADMP C[N@H+](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000436469681 297004664 /nfs/dbraw/zinc/00/46/64/297004664.db2.gz DTGBPCYYQOJVLS-UHFFFAOYSA-N 3 1 316.493 2.905 20 0 DFADMP C[N@@H+](CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1)C1CCCCC1 ZINC000436469681 297004667 /nfs/dbraw/zinc/00/46/67/297004667.db2.gz DTGBPCYYQOJVLS-UHFFFAOYSA-N 3 1 316.493 2.905 20 0 DFADMP C[C@@H]1C[N@H+](CCSCC[NH+](C)Cc2ccccc2)CCO1 ZINC000278670788 297008779 /nfs/dbraw/zinc/00/87/79/297008779.db2.gz OBMKSCVSNSFVKK-MRXNPFEDSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@@H]1C[N@@H+](CCSCC[NH+](C)Cc2ccccc2)CCO1 ZINC000278670788 297008782 /nfs/dbraw/zinc/00/87/82/297008782.db2.gz OBMKSCVSNSFVKK-MRXNPFEDSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@@H]1C[NH+](CCSCC[N@H+](C)Cc2ccccc2)CCO1 ZINC000278670788 297008785 /nfs/dbraw/zinc/00/87/85/297008785.db2.gz OBMKSCVSNSFVKK-MRXNPFEDSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@@H]1C[NH+](CCSCC[N@@H+](C)Cc2ccccc2)CCO1 ZINC000278670788 297008786 /nfs/dbraw/zinc/00/87/86/297008786.db2.gz OBMKSCVSNSFVKK-MRXNPFEDSA-N 2 1 308.491 2.572 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000438107293 297080660 /nfs/dbraw/zinc/08/06/60/297080660.db2.gz UUIANEARUHGLIJ-HUUCEWRRSA-N 2 1 308.441 2.706 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000438107293 297080661 /nfs/dbraw/zinc/08/06/61/297080661.db2.gz UUIANEARUHGLIJ-HUUCEWRRSA-N 2 1 308.441 2.706 20 0 DFADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154357968 295297903 /nfs/dbraw/zinc/29/79/03/295297903.db2.gz GAHIDXSLLKPTOA-IRXDYDNUSA-N 2 1 312.885 2.809 20 0 DFADMP COc1cccc(OCCN(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000154405309 295299592 /nfs/dbraw/zinc/29/95/92/295299592.db2.gz GTIBYWKATWEXCD-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc(OCC[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000154405309 295299593 /nfs/dbraw/zinc/29/95/93/295299593.db2.gz GTIBYWKATWEXCD-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc(OCC[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000154405309 295299596 /nfs/dbraw/zinc/29/95/96/295299596.db2.gz GTIBYWKATWEXCD-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc(OCC[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000154405309 295299598 /nfs/dbraw/zinc/29/95/98/295299598.db2.gz GTIBYWKATWEXCD-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP COc1cccc(OCC[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000154405309 295299601 /nfs/dbraw/zinc/29/96/01/295299601.db2.gz GTIBYWKATWEXCD-MRXNPFEDSA-N 2 1 306.450 2.880 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCCc1nc2ccccc2[nH]1 ZINC000156170489 295332146 /nfs/dbraw/zinc/33/21/46/295332146.db2.gz VGROUPGWICCSRB-CPUCHLNUSA-N 2 1 300.450 2.814 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097202 295358191 /nfs/dbraw/zinc/35/81/91/295358191.db2.gz XHHSPDKBOANQNM-IRXDYDNUSA-N 3 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097202 295358192 /nfs/dbraw/zinc/35/81/92/295358192.db2.gz XHHSPDKBOANQNM-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097507 295358248 /nfs/dbraw/zinc/35/82/48/295358248.db2.gz XHHSPDKBOANQNM-DLBZAZTESA-N 3 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCCN(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097507 295358249 /nfs/dbraw/zinc/35/82/49/295358249.db2.gz XHHSPDKBOANQNM-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP CCC[C@H]([NH2+]CCCCN1CC[NH+](C)CC1)c1ccccn1 ZINC000158625830 295365294 /nfs/dbraw/zinc/36/52/94/295365294.db2.gz OSLWDFOJYIXHBU-KRWDZBQOSA-N 2 1 304.482 2.540 20 0 DFADMP CC(C)CNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158877723 295368680 /nfs/dbraw/zinc/36/86/80/295368680.db2.gz MYLDKCLXTAYOGD-QGZVFWFLSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1cccc(-c2noc(C[NH+]3CCC(C[NH+](C)C)CC3)n2)c1 ZINC000363451064 295426718 /nfs/dbraw/zinc/42/67/18/295426718.db2.gz SCFDZRNNGFPOJD-UHFFFAOYSA-N 2 1 314.433 2.819 20 0 DFADMP Cc1cccc(NC2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)[nH+]1 ZINC000370766871 295463007 /nfs/dbraw/zinc/46/30/07/295463007.db2.gz PHMASHMSOSMRJB-UHFFFAOYSA-N 2 1 324.428 2.565 20 0 DFADMP CC(C)(C)OC(=O)NCCCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000397828260 295488594 /nfs/dbraw/zinc/48/85/94/295488594.db2.gz XLSCLULOKVLKDI-UHFFFAOYSA-N 2 1 311.470 2.508 20 0 DFADMP C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCC[NH2+]1 ZINC000400399476 295497308 /nfs/dbraw/zinc/49/73/08/295497308.db2.gz KEEHWXMKJBUWKI-LPHOPBHVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H](NCC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCC[NH2+]1 ZINC000400399477 295497329 /nfs/dbraw/zinc/49/73/29/295497329.db2.gz KEEHWXMKJBUWKI-QFBILLFUSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]Cc1cc(Br)ccc1F)[C@@H]1CC[NH2+]C1 ZINC000400728850 295498529 /nfs/dbraw/zinc/49/85/29/295498529.db2.gz IEKKEHBOHZKTBU-VHSXEESVSA-N 2 1 301.203 2.676 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000438567815 297099303 /nfs/dbraw/zinc/09/93/03/297099303.db2.gz OIZVTBVDGZKFIB-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000438567815 297099306 /nfs/dbraw/zinc/09/93/06/297099306.db2.gz OIZVTBVDGZKFIB-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CCC[C@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000438567815 297099308 /nfs/dbraw/zinc/09/93/08/297099308.db2.gz OIZVTBVDGZKFIB-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439088200 297114367 /nfs/dbraw/zinc/11/43/67/297114367.db2.gz QGXJBTQGRDGGDN-HIFRSBDPSA-N 2 1 319.449 2.646 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439088200 297114368 /nfs/dbraw/zinc/11/43/68/297114368.db2.gz QGXJBTQGRDGGDN-HIFRSBDPSA-N 2 1 319.449 2.646 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+][C@@H](C)CC[NH+](C)C ZINC000439085750 297114407 /nfs/dbraw/zinc/11/44/07/297114407.db2.gz KOYTYHGCNMRDAM-STQMWFEESA-N 2 1 307.438 2.644 20 0 DFADMP O=C(N[C@@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439829240 297139495 /nfs/dbraw/zinc/13/94/95/297139495.db2.gz GAEBQTDSYVQTDI-QAPCUYQASA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439829240 297139496 /nfs/dbraw/zinc/13/94/96/297139496.db2.gz GAEBQTDSYVQTDI-QAPCUYQASA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439829240 297139498 /nfs/dbraw/zinc/13/94/98/297139498.db2.gz GAEBQTDSYVQTDI-QAPCUYQASA-N 2 1 319.493 2.527 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000440145690 297145629 /nfs/dbraw/zinc/14/56/29/297145629.db2.gz AYWISINBBCXJHN-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000440145690 297145632 /nfs/dbraw/zinc/14/56/32/297145632.db2.gz AYWISINBBCXJHN-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP C[C@@H]1CCCC[NH+]1CCCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000440145690 297145634 /nfs/dbraw/zinc/14/56/34/297145634.db2.gz AYWISINBBCXJHN-SJLPKXTDSA-N 2 1 321.509 2.774 20 0 DFADMP COC(=O)CC1(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000440498649 297154558 /nfs/dbraw/zinc/15/45/58/297154558.db2.gz ZHTJPVQDXSVZLW-GJZGRUSLSA-N 2 1 308.466 2.572 20 0 DFADMP C[NH+](C)CC[C@@H]([NH2+]Cc1cc(C(F)(F)F)n[nH]1)C(C)(C)C ZINC000440828408 297166939 /nfs/dbraw/zinc/16/69/39/297166939.db2.gz TUDYPPKCRYJQHB-LLVKDONJSA-N 2 1 306.376 2.885 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150309 297173335 /nfs/dbraw/zinc/17/33/35/297173335.db2.gz CYANHOXCABDTSR-WMZOPIPTSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150309 297173337 /nfs/dbraw/zinc/17/33/37/297173337.db2.gz CYANHOXCABDTSR-WMZOPIPTSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150309 297173338 /nfs/dbraw/zinc/17/33/38/297173338.db2.gz CYANHOXCABDTSR-WMZOPIPTSA-N 2 1 317.477 2.844 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](C[C@H](C)[NH3+])[C@H]2CCCC[C@@H]12 ZINC000442664197 297199721 /nfs/dbraw/zinc/19/97/21/297199721.db2.gz LSTWOYKMMMBGOR-JNNCMOEMSA-N 2 1 309.498 2.518 20 0 DFADMP C[C@H](CCc1ccsc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000442871756 297208824 /nfs/dbraw/zinc/20/88/24/297208824.db2.gz GNZVGTKZRGJLGD-OAHLLOKOSA-N 2 1 309.523 2.685 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCC[C@@H](CC[NH3+])C3)c1)O[C@H](C)C2 ZINC000442922967 297211213 /nfs/dbraw/zinc/21/12/13/297211213.db2.gz LRTNAJXYKYWLPG-KGLIPLIRSA-N 2 1 304.434 2.579 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443057050 297214041 /nfs/dbraw/zinc/21/40/41/297214041.db2.gz FDXRERKLRGHBGF-HZPDHXFCSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443057146 297214067 /nfs/dbraw/zinc/21/40/67/297214067.db2.gz FREILSFAPHXXFU-AWEZNQCLSA-N 2 1 307.413 2.524 20 0 DFADMP O=C1[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCCN1C1CCCCC1 ZINC000443095474 297216070 /nfs/dbraw/zinc/21/60/70/297216070.db2.gz RBWBEZJTFGXLRU-KBAYOESNSA-N 2 1 319.493 2.527 20 0 DFADMP O=C1[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CCCN1C1CCCCC1 ZINC000443095474 297216072 /nfs/dbraw/zinc/21/60/72/297216072.db2.gz RBWBEZJTFGXLRU-KBAYOESNSA-N 2 1 319.493 2.527 20 0 DFADMP CN(CC[N@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1)c1ccccc1 ZINC000444270236 297234858 /nfs/dbraw/zinc/23/48/58/297234858.db2.gz NVDKQRLOEPNMOQ-SFHVURJKSA-N 2 1 301.478 2.787 20 0 DFADMP CN(CC[NH+]1CC[C@@H](C[N@H+](C)CC2CC2)C1)c1ccccc1 ZINC000444270236 297234861 /nfs/dbraw/zinc/23/48/61/297234861.db2.gz NVDKQRLOEPNMOQ-SFHVURJKSA-N 2 1 301.478 2.787 20 0 DFADMP CN(CC[NH+]1CC[C@@H](C[N@@H+](C)CC2CC2)C1)c1ccccc1 ZINC000444270236 297234863 /nfs/dbraw/zinc/23/48/63/297234863.db2.gz NVDKQRLOEPNMOQ-SFHVURJKSA-N 2 1 301.478 2.787 20 0 DFADMP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000446921662 297290223 /nfs/dbraw/zinc/29/02/23/297290223.db2.gz HWGKAHNKNSOKAK-KBPBESRZSA-N 2 1 323.506 2.802 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+](C)C[C@@H]1CC=CCC1)C[C@H]1CC=CCC1 ZINC000447302070 297300000 /nfs/dbraw/zinc/30/00/00/297300000.db2.gz OHPXUUDSOFCCOO-BWTSREIZSA-N 2 1 306.494 2.924 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](C)C[C@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000447302070 297300002 /nfs/dbraw/zinc/30/00/02/297300002.db2.gz OHPXUUDSOFCCOO-BWTSREIZSA-N 2 1 306.494 2.924 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](C)C[C@H]1CC=CCC1)C[C@@H]1CC=CCC1 ZINC000447302070 297300005 /nfs/dbraw/zinc/30/00/05/297300005.db2.gz OHPXUUDSOFCCOO-BWTSREIZSA-N 2 1 306.494 2.924 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000447527970 297306478 /nfs/dbraw/zinc/30/64/78/297306478.db2.gz HMFWUPPTEJKLRZ-RTBURBONSA-N 2 1 316.420 2.622 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000447603718 297310697 /nfs/dbraw/zinc/31/06/97/297310697.db2.gz YRQYULMNBZSUDN-NXOAAHMSSA-N 2 1 324.415 2.788 20 0 DFADMP C[N@H+]1CCCC(C)(C)[C@H]1CNc1cc(N2CCCC2)ncn1 ZINC000447815209 297318454 /nfs/dbraw/zinc/31/84/54/297318454.db2.gz DVYGXASWUVWTTR-CQSZACIVSA-N 2 1 303.454 2.609 20 0 DFADMP CC[C@H](C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1)[NH+](CC)CC ZINC000448521103 297340678 /nfs/dbraw/zinc/34/06/78/297340678.db2.gz PVKWFECYARSMGL-NXHRZFHOSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)C(=O)N(C)C ZINC000449286196 297436442 /nfs/dbraw/zinc/43/64/42/297436442.db2.gz SBTAQKXPLNGDPR-AWEZNQCLSA-N 2 1 311.514 2.732 20 0 DFADMP COC[C@@](C)(O)CC[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000449383833 297455960 /nfs/dbraw/zinc/45/59/60/297455960.db2.gz KJYOQVMBXVZVQY-KDOFPFPSSA-N 2 1 317.433 2.619 20 0 DFADMP CCc1cc(NCc2ccccc2C[NH+]2CCOCC2)cc[nH+]1 ZINC000450226051 297600667 /nfs/dbraw/zinc/60/06/67/297600667.db2.gz JHLZWBHEKZFREU-UHFFFAOYSA-N 2 1 311.429 2.510 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H]3C[C@@H](C)n4ccnc43)CC2)[nH+]1 ZINC000453110629 298062796 /nfs/dbraw/zinc/06/27/96/298062796.db2.gz CQJNVJZTCLYXHK-ZBFHGGJFSA-N 2 1 311.433 2.851 20 0 DFADMP COc1ccc2c(c1)C[C@@H]([NH2+]C1CC([NH+]3CCCCC3)C1)CO2 ZINC000453213774 298072076 /nfs/dbraw/zinc/07/20/76/298072076.db2.gz JGVDHUMKCBHMPU-AQFXKWCLSA-N 2 1 316.445 2.605 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453217532 298072608 /nfs/dbraw/zinc/07/26/08/298072608.db2.gz LWROHUVSMFCMQZ-FUHWJXTLSA-N 2 1 310.445 2.519 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCOc1ccc(F)c(Cl)c1 ZINC000453260202 298077566 /nfs/dbraw/zinc/07/75/66/298077566.db2.gz CSYKJZATJNSNNU-XHDPSFHLSA-N 2 1 300.805 2.788 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@@H]2CCC[C@H]21 ZINC000453378612 298088305 /nfs/dbraw/zinc/08/83/05/298088305.db2.gz KKXJWYUIRMOFJS-WHEVEAIOSA-N 2 1 315.461 2.764 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc([S@](C)=O)cc1 ZINC000453419337 298092785 /nfs/dbraw/zinc/09/27/85/298092785.db2.gz YVDYSRRZKZGYOD-QKKBWIMNSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453634916 298107309 /nfs/dbraw/zinc/10/73/09/298107309.db2.gz SZXHEBRXCKNBGO-YSHGAJCASA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](C(=O)NC[C@H](c1ccccc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245204084 298162462 /nfs/dbraw/zinc/16/24/62/298162462.db2.gz YODAJMXZMTXYQS-KYHPRHEASA-N 2 1 317.477 2.667 20 0 DFADMP Cc1cc(C)c(NC(=O)N2CC[N@H+]3CCCC[C@H]3C2)c(C)n1 ZINC000455489743 298369126 /nfs/dbraw/zinc/36/91/26/298369126.db2.gz WDFJUPCIQJPVAY-HNNXBMFYSA-N 2 1 302.422 2.709 20 0 DFADMP Cc1cc(C)c(NC(=O)N2CCN3CCCC[C@H]3C2)c(C)n1 ZINC000455489743 298369128 /nfs/dbraw/zinc/36/91/28/298369128.db2.gz WDFJUPCIQJPVAY-HNNXBMFYSA-N 2 1 302.422 2.709 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](CNC(=O)OC(C)(C)C)C(C)(C)C ZINC000496808575 300117432 /nfs/dbraw/zinc/11/74/32/300117432.db2.gz JFNLIHRKJKMNFJ-CQSZACIVSA-N 2 1 324.469 2.721 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496862078 300124986 /nfs/dbraw/zinc/12/49/86/300124986.db2.gz GTAZEIVZMXYFET-OAHLLOKOSA-N 2 1 313.486 2.565 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496862078 300124990 /nfs/dbraw/zinc/12/49/90/300124990.db2.gz GTAZEIVZMXYFET-OAHLLOKOSA-N 2 1 313.486 2.565 20 0 DFADMP C[C@@H](c1cccc(N2CCOC2=O)c1)[N@@H+](C)CC1CC[NH2+]CC1 ZINC000496882671 300127872 /nfs/dbraw/zinc/12/78/72/300127872.db2.gz JXUQYWDGSGYWAK-AWEZNQCLSA-N 2 1 317.433 2.636 20 0 DFADMP CC(C)C[C@@H](C[NH2+]C1CC[NH+](C)CC1)NC(=O)OC(C)(C)C ZINC000497150769 300169641 /nfs/dbraw/zinc/16/96/41/300169641.db2.gz SIRLGFHYNAIRLZ-HNNXBMFYSA-N 2 1 313.486 2.610 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000498654147 300198107 /nfs/dbraw/zinc/19/81/07/300198107.db2.gz HEUYSYPDSUWOCS-INIZCTEOSA-N 2 1 317.481 2.635 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2cc[nH+]c(N3CCCCC3)n2)C1 ZINC000498654147 300198109 /nfs/dbraw/zinc/19/81/09/300198109.db2.gz HEUYSYPDSUWOCS-INIZCTEOSA-N 2 1 317.481 2.635 20 0 DFADMP C[C@H]1C[N@@H+](CC2CCCCCC2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000374255025 300251665 /nfs/dbraw/zinc/25/16/65/300251665.db2.gz OSQLGHAVMWNCBF-HKUYNNGSSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1CC[N@@H+](CCNC(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000515062652 300288277 /nfs/dbraw/zinc/28/82/77/300288277.db2.gz KGEPKMCCISGBSM-NVXWUHKLSA-N 2 1 309.498 2.522 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000515846343 300322589 /nfs/dbraw/zinc/32/25/89/300322589.db2.gz UPKMMWUWBDOCPA-GOSISDBHSA-N 2 1 304.434 2.540 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)Nc1ccc(F)cc1 ZINC000516861227 300364079 /nfs/dbraw/zinc/36/40/79/300364079.db2.gz BBDMMURNQROVJE-CJNGLKHVSA-N 2 1 307.413 2.665 20 0 DFADMP CCC[C@H](C)[C@@H]1CCC[N@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000516932081 300370353 /nfs/dbraw/zinc/37/03/53/300370353.db2.gz AIYODCVBARFQPD-WNHJNPCNSA-N 2 1 304.478 2.818 20 0 DFADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516969585 300374183 /nfs/dbraw/zinc/37/41/83/300374183.db2.gz BFZFOPAAZDDJTK-AEFFLSMTSA-N 2 1 302.462 2.934 20 0 DFADMP C[C@H](CCCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000516969585 300374184 /nfs/dbraw/zinc/37/41/84/300374184.db2.gz BFZFOPAAZDDJTK-AEFFLSMTSA-N 2 1 302.462 2.934 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](C[C@H]3CCCC[C@@H]3O)C2)CC1 ZINC000517032829 300379719 /nfs/dbraw/zinc/37/97/19/300379719.db2.gz CGDGNJGKWMFUMP-OTWHNJEPSA-N 2 1 308.510 2.981 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+](CCSCc2ccccc2)CC1 ZINC000520834591 300511013 /nfs/dbraw/zinc/51/10/13/300511013.db2.gz HLQBWTJNDQDABK-UHFFFAOYSA-N 2 1 322.518 2.745 20 0 DFADMP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000530023202 301004847 /nfs/dbraw/zinc/00/48/47/301004847.db2.gz CSZZAZBQRKNRPZ-MSOLQXFVSA-N 2 1 321.509 2.630 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530023828 301005358 /nfs/dbraw/zinc/00/53/58/301005358.db2.gz RWJWCITYFDYQTC-OAHLLOKOSA-N 2 1 321.490 2.556 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)NC[C@H]1CC[N@H+]1C1CCCC1 ZINC000530023828 301005361 /nfs/dbraw/zinc/00/53/61/301005361.db2.gz RWJWCITYFDYQTC-OAHLLOKOSA-N 2 1 321.490 2.556 20 0 DFADMP Cc1cccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC[NH2+]C23CCC3)c1C ZINC000530177946 301026311 /nfs/dbraw/zinc/02/63/11/301026311.db2.gz LWFDGEVLVOLPHF-PBHICJAKSA-N 2 1 315.461 2.895 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530224718 301031712 /nfs/dbraw/zinc/03/17/12/301031712.db2.gz XBHHUMRVXHRFOD-YUMQZZPRSA-N 2 1 307.182 2.943 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCC3 ZINC000530513134 301052616 /nfs/dbraw/zinc/05/26/16/301052616.db2.gz IPKJKOABHRZKTR-GOSISDBHSA-N 2 1 311.429 2.955 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+]CCc1c[nH+]cn1C)CCS2 ZINC000530513384 301052848 /nfs/dbraw/zinc/05/28/48/301052848.db2.gz SGGSWFLUNPLYFQ-OAHLLOKOSA-N 2 1 303.431 2.798 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]CCc1c[nH+]cn1C)CCS2 ZINC000530513383 301052873 /nfs/dbraw/zinc/05/28/73/301052873.db2.gz SGGSWFLUNPLYFQ-HNNXBMFYSA-N 2 1 303.431 2.798 20 0 DFADMP C[C@H](CC1CC1)[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531678185 301103711 /nfs/dbraw/zinc/10/37/11/301103711.db2.gz IEFSKXVBRAKOOL-GDBMZVCRSA-N 2 1 307.507 2.815 20 0 DFADMP C[C@H]1C[N@H+](C)C[C@H]1NCc1ccc(OC2CCCCC2)nc1 ZINC000531709508 301105041 /nfs/dbraw/zinc/10/50/41/301105041.db2.gz ZSOGHIQWPDFNMO-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1NCc1ccc(OC2CCCCC2)nc1 ZINC000531709508 301105043 /nfs/dbraw/zinc/10/50/43/301105043.db2.gz ZSOGHIQWPDFNMO-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000531721027 301106109 /nfs/dbraw/zinc/10/61/09/301106109.db2.gz QCSOCXGVPYKZNF-RTBURBONSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000531721027 301106112 /nfs/dbraw/zinc/10/61/12/301106112.db2.gz QCSOCXGVPYKZNF-RTBURBONSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CC1 ZINC000531721024 301106212 /nfs/dbraw/zinc/10/62/12/301106212.db2.gz QCSOCXGVPYKZNF-MOPGFXCFSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000531721024 301106215 /nfs/dbraw/zinc/10/62/15/301106215.db2.gz QCSOCXGVPYKZNF-MOPGFXCFSA-N 2 1 302.462 2.648 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(OC)c2OC)[C@@H](C)C1 ZINC000532210948 301137127 /nfs/dbraw/zinc/13/71/27/301137127.db2.gz KHZHUBXEJNIOBT-GOEBONIOSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000532239219 301139130 /nfs/dbraw/zinc/13/91/30/301139130.db2.gz KDTJTYWPHZOBOG-QWFCFKBJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000532239219 301139132 /nfs/dbraw/zinc/13/91/32/301139132.db2.gz KDTJTYWPHZOBOG-QWFCFKBJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)C1 ZINC000532239219 301139134 /nfs/dbraw/zinc/13/91/34/301139134.db2.gz KDTJTYWPHZOBOG-QWFCFKBJSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+][C@@H](CN1CC[NH+](C)CC1)c1ccccc1)c1cccnc1 ZINC000532641648 301165473 /nfs/dbraw/zinc/16/54/73/301165473.db2.gz WYQKSBZLEUXNEC-XLIONFOSSA-N 2 1 324.472 2.721 20 0 DFADMP CC[C@@H](C)[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000532967392 301179901 /nfs/dbraw/zinc/17/99/01/301179901.db2.gz AWNGWRDNBIRVAJ-QAPCUYQASA-N 2 1 321.509 2.630 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CCCCN2CC[NH+](C)CC2)o1 ZINC000537237868 301296808 /nfs/dbraw/zinc/29/68/08/301296808.db2.gz UCSKTUFANRVGNI-WBVHZDCISA-N 2 1 305.466 2.520 20 0 DFADMP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1cc(-c2cccnc2)n[nH]1 ZINC000539862178 301352491 /nfs/dbraw/zinc/35/24/91/301352491.db2.gz IVEFJPUIZIQDBC-KRWDZBQOSA-N 2 1 322.416 2.641 20 0 DFADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](CC)[NH+](CC)CC ZINC000545192420 301467265 /nfs/dbraw/zinc/46/72/65/301467265.db2.gz FHVHJPXTJPFUMC-CVEARBPZSA-N 2 1 320.481 2.557 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@@H](C[C@H]1CCOC1)c1ccc(F)cc1 ZINC000559111663 301865450 /nfs/dbraw/zinc/86/54/50/301865450.db2.gz GORUQSSJIHYKGD-KDOFPFPSSA-N 2 1 317.408 2.859 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959056 302018238 /nfs/dbraw/zinc/01/82/38/302018238.db2.gz QDNJHIDSCABAIA-GVDBMIGSSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H](NC[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959056 302018241 /nfs/dbraw/zinc/01/82/41/302018241.db2.gz QDNJHIDSCABAIA-GVDBMIGSSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959056 302018244 /nfs/dbraw/zinc/01/82/44/302018244.db2.gz QDNJHIDSCABAIA-GVDBMIGSSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1)[C@@H]1CCC[NH2+]C1 ZINC000562959056 302018248 /nfs/dbraw/zinc/01/82/48/302018248.db2.gz QDNJHIDSCABAIA-GVDBMIGSSA-N 3 1 321.534 2.938 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ncccc2Cl)c2ccccc21 ZINC000562960003 302018349 /nfs/dbraw/zinc/01/83/49/302018349.db2.gz GCLGKUNJDPONIC-CABCVRRESA-N 2 1 303.793 2.848 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1 ZINC000563349376 302065040 /nfs/dbraw/zinc/06/50/40/302065040.db2.gz HQFCSDJEKDSRML-MAUKXSAKSA-N 2 1 317.477 2.870 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2cncn2C)CCN1Cc1ccccc1 ZINC000563366899 302067083 /nfs/dbraw/zinc/06/70/83/302067083.db2.gz KFQHIGZGLSUQFI-QGZVFWFLSA-N 2 1 312.461 2.559 20 0 DFADMP Cn1c[nH+]cc1CCCN1CCOC[C@H]1c1ccc(F)cc1 ZINC000563367216 302067222 /nfs/dbraw/zinc/06/72/22/302067222.db2.gz UYKVNMMWAOLDIK-KRWDZBQOSA-N 2 1 303.381 2.565 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000563504812 302077856 /nfs/dbraw/zinc/07/78/56/302077856.db2.gz QTRSMRDXIBHVPT-QGZVFWFLSA-N 2 1 316.449 2.532 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000563633107 302089639 /nfs/dbraw/zinc/08/96/39/302089639.db2.gz ZBIMVABMULJUPX-IPMKNSEASA-N 2 1 304.478 2.957 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000563633107 302089642 /nfs/dbraw/zinc/08/96/42/302089642.db2.gz ZBIMVABMULJUPX-IPMKNSEASA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000563633107 302089644 /nfs/dbraw/zinc/08/96/44/302089644.db2.gz ZBIMVABMULJUPX-IPMKNSEASA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@@H]1CCCC[C@@H]1c1ccccc1 ZINC000563633107 302089647 /nfs/dbraw/zinc/08/96/47/302089647.db2.gz ZBIMVABMULJUPX-IPMKNSEASA-N 2 1 304.478 2.957 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000563633108 302089935 /nfs/dbraw/zinc/08/99/35/302089935.db2.gz ZBIMVABMULJUPX-OTWHNJEPSA-N 2 1 304.478 2.957 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000563633108 302089936 /nfs/dbraw/zinc/08/99/36/302089936.db2.gz ZBIMVABMULJUPX-OTWHNJEPSA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000563633108 302089937 /nfs/dbraw/zinc/08/99/37/302089937.db2.gz ZBIMVABMULJUPX-OTWHNJEPSA-N 2 1 304.478 2.957 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CCCC[C@@H]1c1ccccc1 ZINC000563633108 302089938 /nfs/dbraw/zinc/08/99/38/302089938.db2.gz ZBIMVABMULJUPX-OTWHNJEPSA-N 2 1 304.478 2.957 20 0 DFADMP Fc1cc(OCC[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000563810045 302099913 /nfs/dbraw/zinc/09/99/13/302099913.db2.gz BLJIVYYKQZJFBV-INIZCTEOSA-N 2 1 312.816 2.933 20 0 DFADMP Fc1cc(OCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)ccc1Cl ZINC000563810045 302099916 /nfs/dbraw/zinc/09/99/16/302099916.db2.gz BLJIVYYKQZJFBV-INIZCTEOSA-N 2 1 312.816 2.933 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000564545349 302140285 /nfs/dbraw/zinc/14/02/85/302140285.db2.gz GATMECMJCAYWAW-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000564545349 302140287 /nfs/dbraw/zinc/14/02/87/302140287.db2.gz GATMECMJCAYWAW-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCCC[NH+](C)C[C@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000564545349 302140289 /nfs/dbraw/zinc/14/02/89/302140289.db2.gz GATMECMJCAYWAW-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[N@@H+](CCC(=O)NC(C)(C)C[NH+]1CCCC1)C1CCCCC1 ZINC000564636156 302146335 /nfs/dbraw/zinc/14/63/35/302146335.db2.gz GEXFELUROZPFIQ-UHFFFAOYSA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)COc2ccccc2)C1 ZINC000564843765 302163102 /nfs/dbraw/zinc/16/31/02/302163102.db2.gz FRYWLDGOMMVLTO-ZWKOTPCHSA-N 2 1 320.477 2.528 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]CCC(=O)Nc2cccnc2)C1 ZINC000564845040 302163106 /nfs/dbraw/zinc/16/31/06/302163106.db2.gz QWKWXOLBXFJCCD-INIZCTEOSA-N 2 1 318.465 2.512 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000564845976 302163668 /nfs/dbraw/zinc/16/36/68/302163668.db2.gz YAQWLAREBHYPLC-ZWKOTPCHSA-N 2 1 320.477 2.671 20 0 DFADMP COc1cccc2c1CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)C2 ZINC000565092627 302193149 /nfs/dbraw/zinc/19/31/49/302193149.db2.gz BJBRSDBMJWSQBW-UHFFFAOYSA-N 2 1 308.425 2.899 20 0 DFADMP CC(C)[NH2+]C1(CO)CC[NH+]([C@H]2CCCc3ccccc32)CC1 ZINC000565160431 302199291 /nfs/dbraw/zinc/19/92/91/302199291.db2.gz CZHJCZNDFCYSIN-SFHVURJKSA-N 2 1 302.462 2.889 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000565192964 302205128 /nfs/dbraw/zinc/20/51/28/302205128.db2.gz SBOHYJHGWRWURO-QGZVFWFLSA-N 2 1 323.525 2.689 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000565357859 302220826 /nfs/dbraw/zinc/22/08/26/302220826.db2.gz BCAFQESWCXCUIN-HNNXBMFYSA-N 2 1 318.383 2.930 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)O[C@@H](C)C2 ZINC000565475061 302226484 /nfs/dbraw/zinc/22/64/84/302226484.db2.gz KWDRPQKVOGWPFA-ZNMIVQPWSA-N 2 1 318.461 2.886 20 0 DFADMP CCN(C(=O)CCCC[NH3+])[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000565890561 302247576 /nfs/dbraw/zinc/24/75/76/302247576.db2.gz UJYLNBGYVVPHAP-FUHWJXTLSA-N 2 1 317.477 2.799 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000566106169 302259826 /nfs/dbraw/zinc/25/98/26/302259826.db2.gz IXDNPPJPEIFRFB-APWZRJJASA-N 2 1 322.468 2.831 20 0 DFADMP C[N@@H+](Cc1ccco1)Cc1ccccc1C[NH2+]CC1(O)CCC1 ZINC000566114445 302260613 /nfs/dbraw/zinc/26/06/13/302260613.db2.gz AJOZYLVQXHIMGD-UHFFFAOYSA-N 2 1 314.429 2.916 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000566114538 302260884 /nfs/dbraw/zinc/26/08/84/302260884.db2.gz IZPINZIHWADANS-UXHICEINSA-N 2 1 318.505 2.938 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC[NH2+]C(C)C)cc1 ZINC000566190674 302266622 /nfs/dbraw/zinc/26/66/22/302266622.db2.gz MELQTYRDQYQBKY-CQSZACIVSA-N 2 1 314.433 2.746 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000566217203 302267996 /nfs/dbraw/zinc/26/79/96/302267996.db2.gz NCEYRAYTDCHYLN-AWEZNQCLSA-N 2 1 315.442 2.791 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@@H](F)C2)[C@@H](C)C1 ZINC000566220308 302268572 /nfs/dbraw/zinc/26/85/72/302268572.db2.gz JPVOBCVKJFCOME-HZMVEIRTSA-N 2 1 300.462 2.994 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000566619482 302299886 /nfs/dbraw/zinc/29/98/86/302299886.db2.gz KKDITMSGZVZDSJ-ZWKOTPCHSA-N 2 1 300.446 2.544 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000566619482 302299889 /nfs/dbraw/zinc/29/98/89/302299889.db2.gz KKDITMSGZVZDSJ-ZWKOTPCHSA-N 2 1 300.446 2.544 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccnc3ccccc23)CCCO1 ZINC000567010559 302328810 /nfs/dbraw/zinc/32/88/10/302328810.db2.gz QITXVGIDWFJSGY-MRXNPFEDSA-N 2 1 313.445 2.825 20 0 DFADMP O=C(Nc1ccccc1)[C@@H](Cc1ccccc1)[NH2+]C1CC[NH2+]CC1 ZINC000567041616 302330846 /nfs/dbraw/zinc/33/08/46/302330846.db2.gz YRXUVQFHBZBKGA-LJQANCHMSA-N 2 1 323.440 2.578 20 0 DFADMP Cn1ccnc1[C@H]1CC[N@@H+](Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000567120380 302337888 /nfs/dbraw/zinc/33/78/88/302337888.db2.gz CSUGSEUCCYDZKN-LBPRGKRZSA-N 2 1 319.792 2.792 20 0 DFADMP Cn1ccnc1[C@H]1CCN(Cc2cc3c(c(Cl)c2)OCO3)C1 ZINC000567120380 302337890 /nfs/dbraw/zinc/33/78/90/302337890.db2.gz CSUGSEUCCYDZKN-LBPRGKRZSA-N 2 1 319.792 2.792 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)C2CC[NH2+]CC2)CC1 ZINC000567497174 302364465 /nfs/dbraw/zinc/36/44/65/302364465.db2.gz JEZSVMCYLARHDQ-MRXNPFEDSA-N 2 1 323.525 2.591 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)[C@]2(C)CCC[NH2+]2)cc1 ZINC000567505269 302365284 /nfs/dbraw/zinc/36/52/84/302365284.db2.gz RVYXLQROSCTOIL-UGSOOPFHSA-N 2 1 312.417 2.500 20 0 DFADMP CC[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000567851626 302392943 /nfs/dbraw/zinc/39/29/43/302392943.db2.gz STYALLPNASNPMM-GOSISDBHSA-N 2 1 301.478 2.725 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851626 302392946 /nfs/dbraw/zinc/39/29/46/302392946.db2.gz STYALLPNASNPMM-GOSISDBHSA-N 2 1 301.478 2.725 20 0 DFADMP CC[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000567851626 302392950 /nfs/dbraw/zinc/39/29/50/302392950.db2.gz STYALLPNASNPMM-GOSISDBHSA-N 2 1 301.478 2.725 20 0 DFADMP CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)[C@H]1CCC[NH2+]CC1 ZINC000567890063 302396712 /nfs/dbraw/zinc/39/67/12/302396712.db2.gz FMGIIBGNHAQEOK-HNNXBMFYSA-N 2 1 316.449 2.596 20 0 DFADMP CC[N@@H+](CCCn1c2ccccc2[nH]c1=O)[C@@H]1CCC[NH2+]CC1 ZINC000567890064 302396808 /nfs/dbraw/zinc/39/68/08/302396808.db2.gz FMGIIBGNHAQEOK-OAHLLOKOSA-N 2 1 316.449 2.596 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000570320880 302567935 /nfs/dbraw/zinc/56/79/35/302567935.db2.gz IDSNXVJJKVGPHP-RTBURBONSA-N 2 1 322.456 2.614 20 0 DFADMP COCC[NH2+]C1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000571170515 302607409 /nfs/dbraw/zinc/60/74/09/302607409.db2.gz FNPCRCLCXXHKRK-UHFFFAOYSA-N 2 1 313.445 2.744 20 0 DFADMP C[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1cccc(-n2cccn2)c1 ZINC000572300443 302654042 /nfs/dbraw/zinc/65/40/42/302654042.db2.gz BLZQNDUYYRAXJK-OAHLLOKOSA-N 2 1 309.417 2.889 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180524500 316035043 /nfs/dbraw/zinc/03/50/43/316035043.db2.gz HKYQRYJEYQRDIR-OAHLLOKOSA-N 2 1 306.498 2.881 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180524500 316035045 /nfs/dbraw/zinc/03/50/45/316035045.db2.gz HKYQRYJEYQRDIR-OAHLLOKOSA-N 2 1 306.498 2.881 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180524500 316035047 /nfs/dbraw/zinc/03/50/47/316035047.db2.gz HKYQRYJEYQRDIR-OAHLLOKOSA-N 2 1 306.498 2.881 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180524500 316035050 /nfs/dbraw/zinc/03/50/50/316035050.db2.gz HKYQRYJEYQRDIR-OAHLLOKOSA-N 2 1 306.498 2.881 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180524480 316035099 /nfs/dbraw/zinc/03/50/99/316035099.db2.gz HKYQRYJEYQRDIR-HNNXBMFYSA-N 2 1 306.498 2.881 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180524480 316035101 /nfs/dbraw/zinc/03/51/01/316035101.db2.gz HKYQRYJEYQRDIR-HNNXBMFYSA-N 2 1 306.498 2.881 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180524480 316035102 /nfs/dbraw/zinc/03/51/02/316035102.db2.gz HKYQRYJEYQRDIR-HNNXBMFYSA-N 2 1 306.498 2.881 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2C(C)(C)C)C1 ZINC000180524480 316035104 /nfs/dbraw/zinc/03/51/04/316035104.db2.gz HKYQRYJEYQRDIR-HNNXBMFYSA-N 2 1 306.498 2.881 20 0 DFADMP CCCN(CCC)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185745681 316191424 /nfs/dbraw/zinc/19/14/24/316191424.db2.gz WCPAZJFTVHZNNW-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCCN(CCC)C(=O)C[NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185745681 316191426 /nfs/dbraw/zinc/19/14/26/316191426.db2.gz WCPAZJFTVHZNNW-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP c1ccc(CN2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000309983447 316237818 /nfs/dbraw/zinc/23/78/18/316237818.db2.gz ZDQIQUBVZUUPFE-UHFFFAOYSA-N 2 1 321.468 2.650 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000341902241 316310912 /nfs/dbraw/zinc/31/09/12/316310912.db2.gz SLACMWFQAIPPME-HDMKZQKVSA-N 2 1 306.450 2.530 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000360018955 316573869 /nfs/dbraw/zinc/57/38/69/316573869.db2.gz QZZRQSIEFWFRJY-IAGOWNOFSA-N 2 1 317.408 2.574 20 0 DFADMP C[C@H]1C[C@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)CC[NH2+]1 ZINC000414756478 316647576 /nfs/dbraw/zinc/64/75/76/316647576.db2.gz JRSKYNDVLUECIL-JKSUJKDBSA-N 3 1 316.493 2.787 20 0 DFADMP CC(C)([NH3+])C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000414802620 316663349 /nfs/dbraw/zinc/66/33/49/316663349.db2.gz KVZKKKRBLKDKIY-UHFFFAOYSA-N 2 1 313.449 2.887 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H](C2CC2)C2CCCC2)CC1 ZINC000453105493 317163533 /nfs/dbraw/zinc/16/35/33/317163533.db2.gz HOCWRRFQTZSJHJ-LJQANCHMSA-N 2 1 307.526 2.818 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453146610 317165125 /nfs/dbraw/zinc/16/51/25/317165125.db2.gz XIIUPJZVMXUQFX-IRXDYDNUSA-N 2 1 312.461 2.908 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+]CCCC[N@H+](C)C2CC2)o1 ZINC000453592907 317191763 /nfs/dbraw/zinc/19/17/63/317191763.db2.gz FVOUIOHYWAMJEF-UHFFFAOYSA-N 2 1 302.422 2.942 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1ncc(Br)s1)C1CC1 ZINC000453592845 317191795 /nfs/dbraw/zinc/19/17/95/317191795.db2.gz FKZSDAJEXCOJRB-UHFFFAOYSA-N 2 1 318.284 2.870 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459335905 317319778 /nfs/dbraw/zinc/31/97/78/317319778.db2.gz OYHGLYBMJUFQOW-CYBMUJFWSA-N 2 1 304.425 2.589 20 0 DFADMP CC(C)c1cc(N(C)C2CC[NH+](C(C)C)CC2)nc(N(C)C)[nH+]1 ZINC000486431454 317342595 /nfs/dbraw/zinc/34/25/95/317342595.db2.gz DIFYMSZQDQGHPM-UHFFFAOYSA-N 2 1 319.497 2.975 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)[C@@H]2C[N@@H+](C)C[C@H]2C)cc1 ZINC000487437668 317346046 /nfs/dbraw/zinc/34/60/46/317346046.db2.gz IRGIDGBAAINJOU-RHSMWYFYSA-N 2 1 303.450 2.665 20 0 DFADMP CCN1CC[NH+](Cc2ccc(C[NH2+]C[C@H]3C[C@H]3C)cc2)CC1 ZINC000488412034 317390826 /nfs/dbraw/zinc/39/08/26/317390826.db2.gz KXXGCFKPCFYZJT-VQIMIIECSA-N 2 1 301.478 2.570 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H]2CS[C@@H](C(C)(C)C)C2)CC1 ZINC000488414442 317390911 /nfs/dbraw/zinc/39/09/11/317390911.db2.gz QZVWFGTZOVVUQV-HUUCEWRRSA-N 2 1 300.512 2.607 20 0 DFADMP COc1ccc(Br)c(C[NH2+]Cc2cnc(C)n2C)c1 ZINC000572060393 318000125 /nfs/dbraw/zinc/00/01/25/318000125.db2.gz URIHTHWFCYRGNK-UHFFFAOYSA-N 2 1 324.222 2.789 20 0 DFADMP CCc1noc(C2CCC([NH2+]C[C@@H]3CC[N@H+](C(C)C)C3)CC2)n1 ZINC000574944500 318052239 /nfs/dbraw/zinc/05/22/39/318052239.db2.gz RHGLLJXYUIXLCO-FHERZECASA-N 2 1 320.481 2.978 20 0 DFADMP Cn1c[nH+]cc1CCC[NH2+][C@@H](c1cccs1)C1(CO)CCC1 ZINC000575192633 318069472 /nfs/dbraw/zinc/06/94/72/318069472.db2.gz IUWZFISWDYCLOV-INIZCTEOSA-N 2 1 319.474 2.908 20 0 DFADMP C[C@@H]([NH2+]Cc1c(F)cccc1N1CCCC1)[C@@H]1CCC[NH2+]C1 ZINC000575980144 318095535 /nfs/dbraw/zinc/09/55/35/318095535.db2.gz VISHYRVYNQUQBM-HUUCEWRRSA-N 2 1 305.441 2.904 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000576220044 318111361 /nfs/dbraw/zinc/11/13/61/318111361.db2.gz AZEXYIDZIDJABS-ZWKOTPCHSA-N 2 1 304.478 2.548 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000576220042 318111391 /nfs/dbraw/zinc/11/13/91/318111391.db2.gz AZEXYIDZIDJABS-QZTJIDSGSA-N 2 1 304.478 2.548 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@@H](n2cncn2)C1 ZINC000576576345 318135254 /nfs/dbraw/zinc/13/52/54/318135254.db2.gz YBTIMTQXBXBVFX-NJAFHUGGSA-N 2 1 319.497 2.910 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]CC[NH2+]C2CCCCCC2)[C@H](n2cncn2)C1 ZINC000576576344 318135404 /nfs/dbraw/zinc/13/54/04/318135404.db2.gz YBTIMTQXBXBVFX-KBAYOESNSA-N 2 1 319.497 2.910 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCCc2cncn2C)CC1 ZINC000577002561 318165166 /nfs/dbraw/zinc/16/51/66/318165166.db2.gz HHCGZSXDINBIIK-UHFFFAOYSA-N 2 1 306.498 2.797 20 0 DFADMP CCCC[N@H+](C)CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000577002561 318165169 /nfs/dbraw/zinc/16/51/69/318165169.db2.gz HHCGZSXDINBIIK-UHFFFAOYSA-N 3 1 306.498 2.797 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCCc2c[nH+]cn2C)CC1 ZINC000577002561 318165172 /nfs/dbraw/zinc/16/51/72/318165172.db2.gz HHCGZSXDINBIIK-UHFFFAOYSA-N 3 1 306.498 2.797 20 0 DFADMP C[NH+]1CCC(CCO)([NH2+][C@@H]2CCC[C@@H](C(F)(F)F)C2)CC1 ZINC000577191882 318177551 /nfs/dbraw/zinc/17/75/51/318177551.db2.gz ZLZUTAPUTWHRHQ-CHWSQXEVSA-N 2 1 308.388 2.544 20 0 DFADMP C[N@@H+](CCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)Cc1ccccc1 ZINC000577472278 318195062 /nfs/dbraw/zinc/19/50/62/318195062.db2.gz FZHRQPBUUVZPRW-UHFFFAOYSA-N 2 1 324.428 2.543 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)NCC1([NH3+])CCCCCC1 ZINC000577605678 318204640 /nfs/dbraw/zinc/20/46/40/318204640.db2.gz OQUOYBCDBFANEP-INIZCTEOSA-N 2 1 324.513 2.554 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000577646595 318207737 /nfs/dbraw/zinc/20/77/37/318207737.db2.gz PUOZSHIKROUUDP-ZWKOTPCHSA-N 2 1 316.445 2.920 20 0 DFADMP CC(C)OC(=O)c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2CCN(C)C3)cc1 ZINC000577646595 318207740 /nfs/dbraw/zinc/20/77/40/318207740.db2.gz PUOZSHIKROUUDP-ZWKOTPCHSA-N 2 1 316.445 2.920 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H]1C[NH3+])c1nc(-c2ccncc2)cs1 ZINC000577840104 318220425 /nfs/dbraw/zinc/22/04/25/318220425.db2.gz KZHNEJGLNQCBII-IACUBPJLSA-N 2 1 302.447 2.983 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H]1CN1CCCCC1)C[NH2+]CC2 ZINC000577958130 318228731 /nfs/dbraw/zinc/22/87/31/318228731.db2.gz VGWZHWXPIAAUGE-FQEVSTJZSA-N 2 1 313.489 2.783 20 0 DFADMP c1cc2c(cc1C[N@@H+]1CCC[C@H]1CN1CCCCC1)C[NH2+]CC2 ZINC000577958130 318228732 /nfs/dbraw/zinc/22/87/32/318228732.db2.gz VGWZHWXPIAAUGE-FQEVSTJZSA-N 2 1 313.489 2.783 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H]1CN1CCCCC1)C[NH2+]CC2 ZINC000577958131 318229009 /nfs/dbraw/zinc/22/90/09/318229009.db2.gz VGWZHWXPIAAUGE-HXUWFJFHSA-N 2 1 313.489 2.783 20 0 DFADMP c1cc2c(cc1C[N@@H+]1CCC[C@@H]1CN1CCCCC1)C[NH2+]CC2 ZINC000577958131 318229011 /nfs/dbraw/zinc/22/90/11/318229011.db2.gz VGWZHWXPIAAUGE-HXUWFJFHSA-N 2 1 313.489 2.783 20 0 DFADMP Cn1cc([C@@H]2C[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2(C)C)cn1 ZINC000578079729 318236292 /nfs/dbraw/zinc/23/62/92/318236292.db2.gz BKJIHPKPSAVMDF-SJORKVTESA-N 2 1 304.482 2.720 20 0 DFADMP Cn1cc([C@@H]2C[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2(C)C)cn1 ZINC000578079729 318236294 /nfs/dbraw/zinc/23/62/94/318236294.db2.gz BKJIHPKPSAVMDF-SJORKVTESA-N 2 1 304.482 2.720 20 0 DFADMP Cn1cc([C@@H]2C[NH+](CC[C@H]3CCCC[N@H+]3C)CC2(C)C)cn1 ZINC000578079729 318236296 /nfs/dbraw/zinc/23/62/96/318236296.db2.gz BKJIHPKPSAVMDF-SJORKVTESA-N 2 1 304.482 2.720 20 0 DFADMP CC(C)c1nc([C@H]2CCC[N@@H+](CCCc3cncn3C)C2)no1 ZINC000578244963 318248085 /nfs/dbraw/zinc/24/80/85/318248085.db2.gz XAOKWBQFSBSZED-AWEZNQCLSA-N 2 1 317.437 2.739 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1ccccc1OCC(F)(F)F ZINC000578638811 318275125 /nfs/dbraw/zinc/27/51/25/318275125.db2.gz IPDKPBHEOFWYBR-DGCLKSJQSA-N 2 1 302.340 2.939 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1Cc1ccccc1OCC(F)(F)F ZINC000578638811 318275127 /nfs/dbraw/zinc/27/51/27/318275127.db2.gz IPDKPBHEOFWYBR-DGCLKSJQSA-N 2 1 302.340 2.939 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000578866992 318291074 /nfs/dbraw/zinc/29/10/74/318291074.db2.gz FEXNGQNLRNTWGY-KRWDZBQOSA-N 2 1 311.429 2.831 20 0 DFADMP CCN(C)C[C@@H](O)C[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000578904920 318294280 /nfs/dbraw/zinc/29/42/80/318294280.db2.gz UNYCWUYHMWTDBW-QGZVFWFLSA-N 2 1 308.441 2.626 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000578904920 318294281 /nfs/dbraw/zinc/29/42/81/318294281.db2.gz UNYCWUYHMWTDBW-QGZVFWFLSA-N 2 1 308.441 2.626 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC(c2ccc(F)cc2C)CC1 ZINC000578904920 318294283 /nfs/dbraw/zinc/29/42/83/318294283.db2.gz UNYCWUYHMWTDBW-QGZVFWFLSA-N 2 1 308.441 2.626 20 0 DFADMP CCCCNC(=O)C1([NH2+]CCCc2c[nH+]cn2C)CCCCC1 ZINC000579254204 318318307 /nfs/dbraw/zinc/31/83/07/318318307.db2.gz APBZSLUEVOXCME-UHFFFAOYSA-N 2 1 320.481 2.562 20 0 DFADMP Cn1cncc1CCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000579254245 318318401 /nfs/dbraw/zinc/31/84/01/318318401.db2.gz CEGCTEIHLAWHJL-UHFFFAOYSA-N 2 1 321.428 2.597 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000579254245 318318405 /nfs/dbraw/zinc/31/84/05/318318405.db2.gz CEGCTEIHLAWHJL-UHFFFAOYSA-N 2 1 321.428 2.597 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000579258215 318318735 /nfs/dbraw/zinc/31/87/35/318318735.db2.gz GCLFOHVBAGTAAD-LMMKCTJWSA-N 2 1 319.493 2.936 20 0 DFADMP Cc1noc(C2CCC([NH2+]C[C@H]3[NH2+]CCCC3(C)C)CC2)n1 ZINC000579342476 318323709 /nfs/dbraw/zinc/32/37/09/318323709.db2.gz MMHBMZXNKRYJMJ-YMAMQOFZSA-N 2 1 306.454 2.772 20 0 DFADMP C[N@H+](CCC[NH3+])Cc1cccc(Br)c1OC(F)F ZINC000579472990 318332862 /nfs/dbraw/zinc/33/28/62/318332862.db2.gz AHKQVFOZOPRRDK-UHFFFAOYSA-N 2 1 323.181 2.831 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cccc(Br)c1OC(F)F ZINC000579472990 318332863 /nfs/dbraw/zinc/33/28/63/318332863.db2.gz AHKQVFOZOPRRDK-UHFFFAOYSA-N 2 1 323.181 2.831 20 0 DFADMP [NH3+]CC1(CC(=O)Nc2nc(C[NH+]3CCCCCC3)cs2)CC1 ZINC000579588429 318340833 /nfs/dbraw/zinc/34/08/33/318340833.db2.gz ONHCGHUBAUHANP-UHFFFAOYSA-N 2 1 322.478 2.587 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C[N@H+]2CCC(C)(C)C2)C1 ZINC000579610816 318342865 /nfs/dbraw/zinc/34/28/65/318342865.db2.gz LAYALSMSHMDOGD-BRWVUGGUSA-N 2 1 321.509 2.582 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1CCCc2c(OC)cccc21 ZINC000194848627 323273687 /nfs/dbraw/zinc/27/36/87/323273687.db2.gz OAYJHXQDUXANMO-QGZVFWFLSA-N 2 1 306.450 2.631 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379645729 323290356 /nfs/dbraw/zinc/29/03/56/323290356.db2.gz DMEIMIRLNQZELW-RWQQGDIJSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379645729 323290361 /nfs/dbraw/zinc/29/03/61/323290361.db2.gz DMEIMIRLNQZELW-RWQQGDIJSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccccc3)C[C@H]2C)CC[NH2+]1 ZINC000382728062 323301559 /nfs/dbraw/zinc/30/15/59/323301559.db2.gz WQYOTDMUHUXGLI-GGPKGHCWSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382709413 323301816 /nfs/dbraw/zinc/30/18/16/323301816.db2.gz SMGPKNBUMHIMIJ-RTBURBONSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CC[N@H+]1CC[C@H]1CCC[NH2+]C1 ZINC000382767253 323302559 /nfs/dbraw/zinc/30/25/59/323302559.db2.gz WUAKCCQSVFFONR-ZWKOTPCHSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccc(Br)s1 ZINC000382840933 323302715 /nfs/dbraw/zinc/30/27/15/323302715.db2.gz UNCCBWVUBLPJNY-ZYHUDNBSSA-N 2 1 317.296 2.983 20 0 DFADMP Brc1ccccc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000386215605 323315898 /nfs/dbraw/zinc/31/58/98/323315898.db2.gz NODLFZOKSXJMBE-BETUJISGSA-N 2 1 309.251 2.881 20 0 DFADMP Cc1ccc(-c2noc(C[NH+]3CCC(CC[NH3+])CC3)n2)cc1 ZINC000387020083 323322132 /nfs/dbraw/zinc/32/21/32/323322132.db2.gz CLWZEDKFCFHNSI-UHFFFAOYSA-N 2 1 300.406 2.606 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000388333184 323329830 /nfs/dbraw/zinc/32/98/30/323329830.db2.gz KTJZJFMMHZFNNB-HOJAQTOUSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](C)[C@@H]2CCCN(Cc3ccccc3)C2)CC[NH2+]1 ZINC000388333185 323330043 /nfs/dbraw/zinc/33/00/43/323330043.db2.gz KTJZJFMMHZFNNB-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CCOc1cc(C[N@@H+](C)CCC[NH3+])ccc1OCC(F)(F)F ZINC000584469340 337344900 /nfs/dbraw/zinc/34/49/00/337344900.db2.gz AANNRWWDGRVUBN-UHFFFAOYSA-N 2 1 320.355 2.807 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000584670676 337381350 /nfs/dbraw/zinc/38/13/50/337381350.db2.gz LIYMHYHFTBBYOX-KSZLIROESA-N 2 1 315.461 2.998 20 0 DFADMP C[C@H](CC1CCOCC1)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665251419 500918408 /nfs/dbraw/zinc/91/84/08/500918408.db2.gz OUYOMFFVEQCBRB-ATZDWAIDSA-N 2 1 302.462 2.927 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[N@@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000157239483 519572927 /nfs/dbraw/zinc/57/29/27/519572927.db2.gz LNQACKBDVPCYHL-ROUUACIJSA-N 2 1 323.525 2.971 20 0 DFADMP CC(C)N(C(=O)[C@H](C)[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1)C(C)C ZINC000157239483 519572930 /nfs/dbraw/zinc/57/29/30/519572930.db2.gz LNQACKBDVPCYHL-ROUUACIJSA-N 2 1 323.525 2.971 20 0 DFADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cn1 ZINC000367603350 519779875 /nfs/dbraw/zinc/77/98/75/519779875.db2.gz ZEYXIWGAJYRQAC-BBWFWOEESA-N 2 1 303.450 2.831 20 0 DFADMP CC[NH+](CC)CCCN1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365193805 520604850 /nfs/dbraw/zinc/60/48/50/520604850.db2.gz WHPMFLCPOFKKBI-QGZVFWFLSA-N 2 1 307.526 2.915 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC2(C[C@@H]2C[N@H+](C)C2CC2)CC1 ZINC000365193805 520604858 /nfs/dbraw/zinc/60/48/58/520604858.db2.gz WHPMFLCPOFKKBI-QGZVFWFLSA-N 3 1 307.526 2.915 20 0 DFADMP CC[NH+](CC)CCC[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000365193805 520604865 /nfs/dbraw/zinc/60/48/65/520604865.db2.gz WHPMFLCPOFKKBI-QGZVFWFLSA-N 3 1 307.526 2.915 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NC[C@H]1CC[N@@H+](C)[C@H]1c1cccc(Cl)c1 ZINC000366330347 521115965 /nfs/dbraw/zinc/11/59/65/521115965.db2.gz QTKUIVYYRNREFN-KBMXLJTQSA-N 2 1 323.868 2.576 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@@H](C)c2cnn(C(C)C)c2)CC1 ZINC000154534635 521679460 /nfs/dbraw/zinc/67/94/60/521679460.db2.gz XPYLZVRPXJXHAC-KRWDZBQOSA-N 2 1 321.513 2.532 20 0 DFADMP CCC[N@H+](Cc1ccc(Br)cn1)C1CC[NH2+]CC1 ZINC000157345480 521681994 /nfs/dbraw/zinc/68/19/94/521681994.db2.gz NYYGHJTWBBULRY-UHFFFAOYSA-N 2 1 312.255 2.808 20 0 DFADMP CCC[N@@H+](Cc1ccc(Br)cn1)C1CC[NH2+]CC1 ZINC000157345480 521681995 /nfs/dbraw/zinc/68/19/95/521681995.db2.gz NYYGHJTWBBULRY-UHFFFAOYSA-N 2 1 312.255 2.808 20 0 DFADMP COC1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440037 522606029 /nfs/dbraw/zinc/60/60/29/522606029.db2.gz ZVMJIFBETSILFI-ZWKOTPCHSA-N 2 1 324.509 2.768 20 0 DFADMP COC1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440037 522606036 /nfs/dbraw/zinc/60/60/36/522606036.db2.gz ZVMJIFBETSILFI-ZWKOTPCHSA-N 2 1 324.509 2.768 20 0 DFADMP COC1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)CCOCC1 ZINC000368440037 522606043 /nfs/dbraw/zinc/60/60/43/522606043.db2.gz ZVMJIFBETSILFI-ZWKOTPCHSA-N 2 1 324.509 2.768 20 0 DFADMP C[N@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365999434 522941805 /nfs/dbraw/zinc/94/18/05/522941805.db2.gz HYWLVWXTSFRTFN-CQSZACIVSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@@H+](CCc1ccc(F)c(F)c1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000365999434 522941814 /nfs/dbraw/zinc/94/18/14/522941814.db2.gz HYWLVWXTSFRTFN-CQSZACIVSA-N 2 1 305.372 2.898 20 0 DFADMP C[N@H+](C[C@H](O)c1ccccc1Cl)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367724098 523100050 /nfs/dbraw/zinc/10/00/50/523100050.db2.gz VTGYGDGRJLEIBS-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1ccccc1Cl)C[C@H]1CCn2cc[nH+]c2C1 ZINC000367724098 523100055 /nfs/dbraw/zinc/10/00/55/523100055.db2.gz VTGYGDGRJLEIBS-BBRMVZONSA-N 2 1 319.836 2.764 20 0 DFADMP Cc1cnccc1C[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000294811883 534709767 /nfs/dbraw/zinc/70/97/67/534709767.db2.gz QLHROFIGLBZGGK-UHFFFAOYSA-N 2 1 311.429 2.512 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCn2cnc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000367614789 523986906 /nfs/dbraw/zinc/98/69/06/523986906.db2.gz IULYMKJUEXNOCS-BQFCYCMXSA-N 2 1 312.461 2.889 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C)c1nccs1 ZINC000365046488 524498137 /nfs/dbraw/zinc/49/81/37/524498137.db2.gz VJZSJZJRJPNNOQ-LVQVYYBASA-N 2 1 323.506 2.726 20 0 DFADMP C[C@H](CO)[N@@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000364957136 524558046 /nfs/dbraw/zinc/55/80/46/524558046.db2.gz VAJWVXLKNHBDMZ-CYBMUJFWSA-N 2 1 319.836 2.781 20 0 DFADMP C[C@H](CO)[N@H+]1CCCN(c2cc[nH+]c3cc(Cl)ccc32)CC1 ZINC000364957136 524558058 /nfs/dbraw/zinc/55/80/58/524558058.db2.gz VAJWVXLKNHBDMZ-CYBMUJFWSA-N 2 1 319.836 2.781 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131329117 524912552 /nfs/dbraw/zinc/91/25/52/524912552.db2.gz NJOHOVHIOQCVHL-KEYYUXOJSA-N 2 1 303.450 2.689 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCC2CC2)nc1 ZINC000131329117 524912562 /nfs/dbraw/zinc/91/25/62/524912562.db2.gz NJOHOVHIOQCVHL-KEYYUXOJSA-N 2 1 303.450 2.689 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccccc1F ZINC000363834627 524971382 /nfs/dbraw/zinc/97/13/82/524971382.db2.gz RXDRASJDEXNUNV-HHXXYDBFSA-N 2 1 320.452 2.847 20 0 DFADMP C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000364188878 524978668 /nfs/dbraw/zinc/97/86/68/524978668.db2.gz HNYNWVYEWWRYML-FSPWUOQZSA-N 2 1 322.424 2.510 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000364188878 524978679 /nfs/dbraw/zinc/97/86/79/524978679.db2.gz HNYNWVYEWWRYML-FSPWUOQZSA-N 2 1 322.424 2.510 20 0 DFADMP Cc1cc(N2CCC[N@H+]([C@@H](C)CO)CC2)c2cc(F)ccc2[nH+]1 ZINC000364978399 525067191 /nfs/dbraw/zinc/06/71/91/525067191.db2.gz HFAHICYAMXXJCS-AWEZNQCLSA-N 2 1 317.408 2.575 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2cccs2)n1 ZINC000365154478 526022097 /nfs/dbraw/zinc/02/20/97/526022097.db2.gz IJABDJTUGCEKMW-CXAGYDPISA-N 2 1 317.458 2.934 20 0 DFADMP COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C)[C@H]2c2cccs2)n1 ZINC000365154478 526022101 /nfs/dbraw/zinc/02/21/01/526022101.db2.gz IJABDJTUGCEKMW-CXAGYDPISA-N 2 1 317.458 2.934 20 0 DFADMP C[C@@H](c1cnccn1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000364176014 526155847 /nfs/dbraw/zinc/15/58/47/526155847.db2.gz ZBJUNTFCRMPTRS-HNNXBMFYSA-N 2 1 311.433 2.781 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)cn1 ZINC000309699004 526283676 /nfs/dbraw/zinc/28/36/76/526283676.db2.gz FTDMLNWNFODVBD-GOSISDBHSA-N 2 1 310.445 2.985 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000309699004 526283679 /nfs/dbraw/zinc/28/36/79/526283679.db2.gz FTDMLNWNFODVBD-GOSISDBHSA-N 2 1 310.445 2.985 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](CN[C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249158109 526470777 /nfs/dbraw/zinc/47/07/77/526470777.db2.gz XSQFSWRZQWDWOY-AQNXPRMDSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000249158109 526470787 /nfs/dbraw/zinc/47/07/87/526470787.db2.gz XSQFSWRZQWDWOY-AQNXPRMDSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](CN[C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000249158109 526470795 /nfs/dbraw/zinc/47/07/95/526470795.db2.gz XSQFSWRZQWDWOY-AQNXPRMDSA-N 2 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249158109 526470802 /nfs/dbraw/zinc/47/08/02/526470802.db2.gz XSQFSWRZQWDWOY-AQNXPRMDSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[NH+]2CC[C@H](C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000249158109 526470807 /nfs/dbraw/zinc/47/08/07/526470807.db2.gz XSQFSWRZQWDWOY-AQNXPRMDSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000249158109 526470810 /nfs/dbraw/zinc/47/08/10/526470810.db2.gz XSQFSWRZQWDWOY-AQNXPRMDSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000249158109 526470818 /nfs/dbraw/zinc/47/08/18/526470818.db2.gz XSQFSWRZQWDWOY-AQNXPRMDSA-N 3 1 313.489 2.725 20 0 DFADMP c1ccc2c(c1)CCCN2CC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000090550246 526502459 /nfs/dbraw/zinc/50/24/59/526502459.db2.gz QVTYHNMFFRNLJW-GOSISDBHSA-N 2 1 313.489 2.857 20 0 DFADMP CC(C)(CO)CC[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000294802341 527204689 /nfs/dbraw/zinc/20/46/89/527204689.db2.gz MZMUMQVYZBCQBQ-IPMKNSEASA-N 2 1 316.489 2.895 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000163460824 527399060 /nfs/dbraw/zinc/39/90/60/527399060.db2.gz KVHANBVONRDXKF-QGZVFWFLSA-N 2 1 313.449 2.801 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](CNc2ccccn2)C1 ZINC000163460824 527399065 /nfs/dbraw/zinc/39/90/65/527399065.db2.gz KVHANBVONRDXKF-QGZVFWFLSA-N 2 1 313.449 2.801 20 0 DFADMP CC[NH+](CC)CCOc1ccc(NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC000299519256 528151389 /nfs/dbraw/zinc/15/13/89/528151389.db2.gz XUXUGEKZLLZJCZ-UHFFFAOYSA-N 2 1 321.465 2.686 20 0 DFADMP CC(C)([NH3+])CN1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000261976619 535197194 /nfs/dbraw/zinc/19/71/94/535197194.db2.gz QWYYNOJZSGBRCN-UHFFFAOYSA-N 2 1 301.478 2.712 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)s1 ZINC000252667036 535693161 /nfs/dbraw/zinc/69/31/61/535693161.db2.gz FSWNRLZHKGWATE-KBPBESRZSA-N 2 1 308.495 2.706 20 0 DFADMP CCN(CC)c1ncc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)s1 ZINC000252667036 535693168 /nfs/dbraw/zinc/69/31/68/535693168.db2.gz FSWNRLZHKGWATE-KBPBESRZSA-N 2 1 308.495 2.706 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@]1(C)CC[NH2+]C1 ZINC000261736422 535772110 /nfs/dbraw/zinc/77/21/10/535772110.db2.gz HVKNYNMYGOICDP-PMACEKPBSA-N 2 1 315.505 2.830 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2nc3ccccc3n2C(F)F)CC1 ZINC000358155832 536344711 /nfs/dbraw/zinc/34/47/11/536344711.db2.gz PDPLVSFKGWHAJH-UHFFFAOYSA-N 2 1 308.376 2.658 20 0 DFADMP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000358238052 536522164 /nfs/dbraw/zinc/52/21/64/536522164.db2.gz CXCGYLUWINUHOG-YQQAZPJKSA-N 2 1 320.477 2.812 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC(F)F ZINC000262555826 536767242 /nfs/dbraw/zinc/76/72/42/536767242.db2.gz UDWDQKLENBPQBW-WCQYABFASA-N 2 1 314.376 2.713 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1NC(C)=O ZINC000361748585 536904724 /nfs/dbraw/zinc/90/47/24/536904724.db2.gz BMUAUZQHMRHHSP-DVOMOZLQSA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1NC(C)=O ZINC000361748585 536904729 /nfs/dbraw/zinc/90/47/29/536904729.db2.gz BMUAUZQHMRHHSP-DVOMOZLQSA-N 2 1 319.449 2.787 20 0 DFADMP COc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)sc2c1 ZINC000262007727 537052705 /nfs/dbraw/zinc/05/27/05/537052705.db2.gz USUBVJLUPXUPRK-IACUBPJLSA-N 2 1 317.458 2.864 20 0 DFADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)sc2c1 ZINC000262007727 537052709 /nfs/dbraw/zinc/05/27/09/537052709.db2.gz USUBVJLUPXUPRK-IACUBPJLSA-N 2 1 317.458 2.864 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]C/C=C/c2ccc(F)cc2F)CC1 ZINC000680494998 545502622 /nfs/dbraw/zinc/50/26/22/545502622.db2.gz OEIUASOETHUSSJ-GORDUTHDSA-N 2 1 323.431 2.595 20 0 DFADMP CC[C@@]1(CO)CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681755452 545716438 /nfs/dbraw/zinc/71/64/38/545716438.db2.gz VIBWBECWPAGFMM-LJQANCHMSA-N 2 1 320.477 2.612 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000682069844 545787962 /nfs/dbraw/zinc/78/79/62/545787962.db2.gz AHIITMYDLYJWAS-NVXWUHKLSA-N 2 1 320.481 2.587 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)[C@H](C)O1 ZINC000682168457 545812313 /nfs/dbraw/zinc/81/23/13/545812313.db2.gz ARFUTLMXXDLGIM-OAGGEKHMSA-N 2 1 306.450 2.625 20 0 DFADMP C[C@H](O)[C@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682409244 545842751 /nfs/dbraw/zinc/84/27/51/545842751.db2.gz LHLOGZZIFDUEET-JTDSTZFVSA-N 2 1 320.477 2.608 20 0 DFADMP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000682913874 545940391 /nfs/dbraw/zinc/94/03/91/545940391.db2.gz OMSBCKMJGBKKND-IACUBPJLSA-N 2 1 308.388 2.542 20 0 DFADMP CC[NH+](CC)CCCN1CC[C@H]([N@@H+](C)Cc2ccccc2)C1 ZINC000683140891 545978329 /nfs/dbraw/zinc/97/83/29/545978329.db2.gz HRJHJAKPWNMWEH-IBGZPJMESA-N 2 1 303.494 2.925 20 0 DFADMP CCC[C@@]1(CO)CCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683722402 546081677 /nfs/dbraw/zinc/08/16/77/546081677.db2.gz OPXMYUMUJCGALR-IBGZPJMESA-N 2 1 320.477 2.754 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000683897409 546114535 /nfs/dbraw/zinc/11/45/35/546114535.db2.gz BKUNTNCZAYSMER-OAHLLOKOSA-N 2 1 300.406 2.929 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022719 546136621 /nfs/dbraw/zinc/13/66/21/546136621.db2.gz PFLINJTYYVFZKV-NEWSRXKRSA-N 2 1 313.445 2.851 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cc2ccccc2[nH]1 ZINC000684022719 546136626 /nfs/dbraw/zinc/13/66/26/546136626.db2.gz PFLINJTYYVFZKV-NEWSRXKRSA-N 2 1 313.445 2.851 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+]C2CCN(c3cc(C)[nH+]c(C)n3)CC2)C1 ZINC000684390960 546208153 /nfs/dbraw/zinc/20/81/53/546208153.db2.gz MHICTTFBNCIURO-DLBZAZTESA-N 2 1 318.465 2.609 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2ccccc2C2CC2)CC1(C)C ZINC000685043291 546323095 /nfs/dbraw/zinc/32/30/95/546323095.db2.gz UJBUCSDJTDUEQH-UHFFFAOYSA-N 2 1 301.478 2.680 20 0 DFADMP C[N@H+](Cc1ccc(Cl)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457349 546353893 /nfs/dbraw/zinc/35/38/93/546353893.db2.gz BECHKGCBSOSBDD-AWEZNQCLSA-N 2 1 311.857 2.533 20 0 DFADMP C[N@@H+](Cc1ccc(Cl)o1)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457349 546353896 /nfs/dbraw/zinc/35/38/96/546353896.db2.gz BECHKGCBSOSBDD-AWEZNQCLSA-N 2 1 311.857 2.533 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3cn4cccc(F)c4n3)C2)CC1 ZINC000685463108 546355139 /nfs/dbraw/zinc/35/51/39/546355139.db2.gz FVXYPHSQNLXRFN-HNNXBMFYSA-N 2 1 316.424 2.637 20 0 DFADMP Cc1nc2ccccn2c1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685465764 546356859 /nfs/dbraw/zinc/35/68/59/546356859.db2.gz DNUJCPLQSKSGTG-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1nc2ccccn2c1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685465764 546356862 /nfs/dbraw/zinc/35/68/62/546356862.db2.gz DNUJCPLQSKSGTG-HNNXBMFYSA-N 2 1 309.417 2.534 20 0 DFADMP CN(CCC[N@@H+](C)Cc1nccc2ccccc21)CC[NH+](C)C ZINC000685475849 546359224 /nfs/dbraw/zinc/35/92/24/546359224.db2.gz QFVANHTYSZBJDJ-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP COc1ccc(F)cc1C[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685576444 546369805 /nfs/dbraw/zinc/36/98/05/546369805.db2.gz KVFKOSNVTAEIOA-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(F)cc1C[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000685576444 546369813 /nfs/dbraw/zinc/36/98/13/546369813.db2.gz KVFKOSNVTAEIOA-CYBMUJFWSA-N 2 1 303.381 2.725 20 0 DFADMP COC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000685651723 546381088 /nfs/dbraw/zinc/38/10/88/546381088.db2.gz DCNPYTBVAACLLU-GJZGRUSLSA-N 2 1 305.809 2.829 20 0 DFADMP COC[C@@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cccc(Cl)c1 ZINC000685651725 546381432 /nfs/dbraw/zinc/38/14/32/546381432.db2.gz DCNPYTBVAACLLU-HUUCEWRRSA-N 2 1 305.809 2.829 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1cc(-c2nn[nH]n2)cs1)C(C)C ZINC000820117296 606223887 /nfs/dbraw/zinc/22/38/87/606223887.db2.gz ZTIUPKOWLDEIDC-UHFFFAOYSA-N 2 1 322.482 2.527 20 0 DFADMP COc1cc(OC)cc(OCCC[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000181265105 199272969 /nfs/dbraw/zinc/27/29/69/199272969.db2.gz BHLZBYUXSIRBET-GJZGRUSLSA-N 2 1 322.449 2.545 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)cc1 ZINC000278626214 214285592 /nfs/dbraw/zinc/28/55/92/214285592.db2.gz RRYVIAYAOJREAW-HZPDHXFCSA-N 2 1 306.450 2.847 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595205 231211905 /nfs/dbraw/zinc/21/19/05/231211905.db2.gz KUYHADQAUALEBW-HSALFYBXSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[NH+]2CC[C@H](N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595205 231211908 /nfs/dbraw/zinc/21/19/08/231211908.db2.gz KUYHADQAUALEBW-HSALFYBXSA-N 2 1 313.489 2.520 20 0 DFADMP c1ccc(CC[NH+]2CC[C@H](N[C@@H]3CC[N@H+]4CCC[C@@H]4C3)C2)cc1 ZINC000322595205 231211911 /nfs/dbraw/zinc/21/19/11/231211911.db2.gz KUYHADQAUALEBW-HSALFYBXSA-N 2 1 313.489 2.520 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905790 398348312 /nfs/dbraw/zinc/34/83/12/398348312.db2.gz KKJIHAPIHMBZLZ-IAGOWNOFSA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905790 398348316 /nfs/dbraw/zinc/34/83/16/398348316.db2.gz KKJIHAPIHMBZLZ-IAGOWNOFSA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)C[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905790 398348318 /nfs/dbraw/zinc/34/83/18/398348318.db2.gz KKJIHAPIHMBZLZ-IAGOWNOFSA-N 2 1 318.465 2.620 20 0 DFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000081634550 398364663 /nfs/dbraw/zinc/36/46/63/398364663.db2.gz ZLCKFRKLCDDGOI-INIZCTEOSA-N 2 1 306.425 2.868 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCOc2cccc(F)c2)C1 ZINC000081634550 398364665 /nfs/dbraw/zinc/36/46/65/398364665.db2.gz ZLCKFRKLCDDGOI-INIZCTEOSA-N 2 1 306.425 2.868 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCOc2cccc(F)c2)C1 ZINC000081634550 398364668 /nfs/dbraw/zinc/36/46/68/398364668.db2.gz ZLCKFRKLCDDGOI-INIZCTEOSA-N 2 1 306.425 2.868 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCOc2cccc(F)c2)C1 ZINC000081634550 398364671 /nfs/dbraw/zinc/36/46/71/398364671.db2.gz ZLCKFRKLCDDGOI-INIZCTEOSA-N 2 1 306.425 2.868 20 0 DFADMP CC(C)C[N@H+]1CC[C@H](CNC(=O)CC[C@@H]([NH3+])c2ccccc2)C1 ZINC000236789344 398364672 /nfs/dbraw/zinc/36/46/72/398364672.db2.gz CGRDVPMXHNRPRI-SJLPKXTDSA-N 2 1 317.477 2.561 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000081634735 398364688 /nfs/dbraw/zinc/36/46/88/398364688.db2.gz GZNBFLDMLHDFMR-QGZVFWFLSA-N 2 1 301.478 2.916 20 0 DFADMP CN(C)c1ccccc1C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000081634735 398364691 /nfs/dbraw/zinc/36/46/91/398364691.db2.gz GZNBFLDMLHDFMR-QGZVFWFLSA-N 2 1 301.478 2.916 20 0 DFADMP CN(C)c1ccccc1C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000081634735 398364694 /nfs/dbraw/zinc/36/46/94/398364694.db2.gz GZNBFLDMLHDFMR-QGZVFWFLSA-N 2 1 301.478 2.916 20 0 DFADMP CCc1cc(NC2CC[NH+](CCOC(C)C)CC2)nc(C)[nH+]1 ZINC000302067298 529553835 /nfs/dbraw/zinc/55/38/35/529553835.db2.gz DBZVWMGGRRIJAA-UHFFFAOYSA-N 2 1 306.454 2.649 20 0 DFADMP Cc1nccn1CCC[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000371251842 282205725 /nfs/dbraw/zinc/20/57/25/282205725.db2.gz QMYZIFRENAXPAT-WMZOPIPTSA-N 2 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000371251842 282205726 /nfs/dbraw/zinc/20/57/26/282205726.db2.gz QMYZIFRENAXPAT-WMZOPIPTSA-N 2 1 302.466 2.530 20 0 DFADMP Cc1nccn1CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000371251842 282205727 /nfs/dbraw/zinc/20/57/27/282205727.db2.gz QMYZIFRENAXPAT-WMZOPIPTSA-N 2 1 302.466 2.530 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000368073454 282209333 /nfs/dbraw/zinc/20/93/33/282209333.db2.gz ZXYFXZTVBHMUPS-IRXDYDNUSA-N 2 1 318.852 2.880 20 0 DFADMP COCc1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)no1 ZINC000459382541 299092735 /nfs/dbraw/zinc/09/27/35/299092735.db2.gz WHNHUPQAQITWKJ-HUUCEWRRSA-N 2 1 309.454 2.669 20 0 DFADMP CC[NH+]1CCC([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000092559913 185325740 /nfs/dbraw/zinc/32/57/40/185325740.db2.gz MRACOCXFCQWRMO-UHFFFAOYSA-N 2 1 310.482 2.961 20 0 DFADMP Cc1ccc(C[NH+]2CCC(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)o1 ZINC000092587123 185327291 /nfs/dbraw/zinc/32/72/91/185327291.db2.gz BCYBEIILIAPHJM-IYBDPMFKSA-N 2 1 306.450 2.909 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000092666203 185332483 /nfs/dbraw/zinc/33/24/83/185332483.db2.gz CYDCEKYTFRPVIY-IYBDPMFKSA-N 2 1 307.507 2.739 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](Cc2cccs2)CC1 ZINC000092666203 185332484 /nfs/dbraw/zinc/33/24/84/185332484.db2.gz CYDCEKYTFRPVIY-IYBDPMFKSA-N 2 1 307.507 2.739 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@H]2CC=CCC2)CC1 ZINC000092664660 185332532 /nfs/dbraw/zinc/33/25/32/185332532.db2.gz SOBHSGHIFPYWDN-OTWHNJEPSA-N 2 1 305.510 2.833 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158549 398394683 /nfs/dbraw/zinc/39/46/83/398394683.db2.gz GKHGYWVPEWQPDQ-OAHLLOKOSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC(C)(C(=O)OC(C)(C)C)CC1 ZINC000592158549 398394691 /nfs/dbraw/zinc/39/46/91/398394691.db2.gz GKHGYWVPEWQPDQ-OAHLLOKOSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)CSCCC[N@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000592185561 398399003 /nfs/dbraw/zinc/39/90/03/398399003.db2.gz ZBOKIFZFIJGNJU-UHFFFAOYSA-N 2 1 300.512 2.562 20 0 DFADMP CC[N@H+](CCSC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000592201200 398400752 /nfs/dbraw/zinc/40/07/52/398400752.db2.gz CPKLJBMWYZCYCN-UHFFFAOYSA-N 2 1 308.491 2.704 20 0 DFADMP CC[N@@H+](CCSC)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000592201200 398400756 /nfs/dbraw/zinc/40/07/56/398400756.db2.gz CPKLJBMWYZCYCN-UHFFFAOYSA-N 2 1 308.491 2.704 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000459410169 299099279 /nfs/dbraw/zinc/09/92/79/299099279.db2.gz BZBFFHGIFUYAMR-RTBURBONSA-N 2 1 301.478 2.533 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000459410169 299099283 /nfs/dbraw/zinc/09/92/83/299099283.db2.gz BZBFFHGIFUYAMR-RTBURBONSA-N 2 1 301.478 2.533 20 0 DFADMP CC(C)[C@H]1CN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000459410169 299099285 /nfs/dbraw/zinc/09/92/85/299099285.db2.gz BZBFFHGIFUYAMR-RTBURBONSA-N 2 1 301.478 2.533 20 0 DFADMP Cc1cccc(N2CCC([NH2+]C3CCN(C4CC4)CC3)CC2)[nH+]1 ZINC000459414103 299100801 /nfs/dbraw/zinc/10/08/01/299100801.db2.gz PPTKLFUTPGDDHS-UHFFFAOYSA-N 2 1 314.477 2.575 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895218 529802161 /nfs/dbraw/zinc/80/21/61/529802161.db2.gz ZKJIMMVGCDVPQT-LJQANCHMSA-N 2 1 324.428 2.797 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895218 529802163 /nfs/dbraw/zinc/80/21/63/529802163.db2.gz ZKJIMMVGCDVPQT-LJQANCHMSA-N 2 1 324.428 2.797 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895218 529802164 /nfs/dbraw/zinc/80/21/64/529802164.db2.gz ZKJIMMVGCDVPQT-LJQANCHMSA-N 2 1 324.428 2.797 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccc(Oc4cnccn4)cc3)C2)C1 ZINC000292895218 529802165 /nfs/dbraw/zinc/80/21/65/529802165.db2.gz ZKJIMMVGCDVPQT-LJQANCHMSA-N 2 1 324.428 2.797 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@H]1CCCC[C@@H]1[NH3+])Cc1ccccc1 ZINC000309750641 529889440 /nfs/dbraw/zinc/88/94/40/529889440.db2.gz ZFUOZGFDOBPDCR-MSOLQXFVSA-N 2 1 317.477 2.532 20 0 DFADMP CN(CC[N@@H+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294917334 529903898 /nfs/dbraw/zinc/90/38/98/529903898.db2.gz CAVHWAVQYDBVHU-DFNIBXOVSA-N 2 1 301.478 2.675 20 0 DFADMP CN(CC[NH+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294917334 529903899 /nfs/dbraw/zinc/90/38/99/529903899.db2.gz CAVHWAVQYDBVHU-DFNIBXOVSA-N 2 1 301.478 2.675 20 0 DFADMP CN(CC[NH+](C)Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294917334 529903900 /nfs/dbraw/zinc/90/39/00/529903900.db2.gz CAVHWAVQYDBVHU-DFNIBXOVSA-N 2 1 301.478 2.675 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H](C[NH3+])C1CCCCC1)c1ccccc1 ZINC000262611798 398432412 /nfs/dbraw/zinc/43/24/12/398432412.db2.gz XTOFWKCEMZTOOX-MSOLQXFVSA-N 2 1 317.477 2.703 20 0 DFADMP C[N@@H+](CCN1CC[C@@H]([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000297349615 529912028 /nfs/dbraw/zinc/91/20/28/529912028.db2.gz BINVVHRZMSEOII-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491673 398433505 /nfs/dbraw/zinc/43/35/05/398433505.db2.gz GLJQQDWOIMKBIT-JKSUJKDBSA-N 2 1 316.445 2.685 20 0 DFADMP CCOC(=O)C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000592493862 398433882 /nfs/dbraw/zinc/43/38/82/398433882.db2.gz CJDDVISIHYVBRN-UHFFFAOYSA-N 2 1 318.461 2.832 20 0 DFADMP CCOC(=O)C[N@@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000592493862 398433884 /nfs/dbraw/zinc/43/38/84/398433884.db2.gz CJDDVISIHYVBRN-UHFFFAOYSA-N 2 1 318.461 2.832 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000089140067 398443274 /nfs/dbraw/zinc/44/32/74/398443274.db2.gz OWLZSFFEEOOALI-UHFFFAOYSA-N 2 1 320.481 2.598 20 0 DFADMP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000459441273 299107619 /nfs/dbraw/zinc/10/76/19/299107619.db2.gz NMUFVGLDQKUKBF-GOSISDBHSA-N 2 1 313.445 2.701 20 0 DFADMP CN(CC1([NH+](C)C)CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000459445833 299108975 /nfs/dbraw/zinc/10/89/75/299108975.db2.gz NOISVHVSCZFSGP-GOSISDBHSA-N 2 1 301.478 2.677 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807470 530058898 /nfs/dbraw/zinc/05/88/98/530058898.db2.gz MUSQRNXHZGPLRQ-IXDOHACOSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807470 530058899 /nfs/dbraw/zinc/05/88/99/530058899.db2.gz MUSQRNXHZGPLRQ-IXDOHACOSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](C[C@@H](O)c3cc4ccccc4o3)CC[C@@H]21 ZINC000292807470 530058900 /nfs/dbraw/zinc/05/89/00/530058900.db2.gz MUSQRNXHZGPLRQ-IXDOHACOSA-N 2 1 314.429 2.882 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCCOc2ccc([N+](=O)[O-])cc2)CC1 ZINC000277344923 398455077 /nfs/dbraw/zinc/45/50/77/398455077.db2.gz WGCFTUNCLLLZKZ-OAHLLOKOSA-N 2 1 321.421 2.780 20 0 DFADMP c1ccc([C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)[C@H]2CCOC2)cc1 ZINC000459471329 299114650 /nfs/dbraw/zinc/11/46/50/299114650.db2.gz UWYFFRGFHPQZSE-QFBILLFUSA-N 2 1 300.446 2.981 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCc2cncn2C)CC1)CC1CC1 ZINC000459479201 299117090 /nfs/dbraw/zinc/11/70/90/299117090.db2.gz UZDIAMLVNXATPN-UHFFFAOYSA-N 3 1 318.509 2.797 20 0 DFADMP Cc1noc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000357701698 282396448 /nfs/dbraw/zinc/39/64/48/282396448.db2.gz CBMUGZWICXHOEA-KRWDZBQOSA-N 2 1 320.481 2.899 20 0 DFADMP Cc1noc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)n1 ZINC000357701698 282396450 /nfs/dbraw/zinc/39/64/50/282396450.db2.gz CBMUGZWICXHOEA-KRWDZBQOSA-N 2 1 320.481 2.899 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)NC[C@@H](c1ccco1)[NH+](C)C ZINC000068510036 398509280 /nfs/dbraw/zinc/50/92/80/398509280.db2.gz ZXRNEAHUMQLKSY-INIZCTEOSA-N 2 1 323.481 2.901 20 0 DFADMP CC[N@H+](Cc1cn2cccnc2n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000459563563 299134765 /nfs/dbraw/zinc/13/47/65/299134765.db2.gz QVWJYFDPUKFTFP-UHFFFAOYSA-N 2 1 323.444 2.813 20 0 DFADMP CC[N@@H+](Cc1cn2cccnc2n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000459563563 299134770 /nfs/dbraw/zinc/13/47/70/299134770.db2.gz QVWJYFDPUKFTFP-UHFFFAOYSA-N 2 1 323.444 2.813 20 0 DFADMP Cc1cc[nH+]c(N2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)c1 ZINC000091478697 398532708 /nfs/dbraw/zinc/53/27/08/398532708.db2.gz LZGXOBFJCNRJNV-HZPDHXFCSA-N 2 1 303.450 2.716 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000091632258 398539199 /nfs/dbraw/zinc/53/91/99/398539199.db2.gz XNERBYHAHKEXBA-GFCCVEGCSA-N 2 1 305.378 2.654 20 0 DFADMP COC(=O)c1ccc([C@@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)o1 ZINC000091632258 398539202 /nfs/dbraw/zinc/53/92/02/398539202.db2.gz XNERBYHAHKEXBA-GFCCVEGCSA-N 2 1 305.378 2.654 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1OC ZINC000320271776 398546397 /nfs/dbraw/zinc/54/63/97/398546397.db2.gz UFJZIWOKKGWGSI-WBVHZDCISA-N 2 1 320.477 2.955 20 0 DFADMP O=C(CC[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(F)c1 ZINC000321315797 398552848 /nfs/dbraw/zinc/55/28/48/398552848.db2.gz DUXUMIMKJZLWNR-DLBZAZTESA-N 2 1 319.424 2.761 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@@H]1CCC[NH2+]1)Nc1cccc(F)c1 ZINC000321315797 398552853 /nfs/dbraw/zinc/55/28/53/398552853.db2.gz DUXUMIMKJZLWNR-DLBZAZTESA-N 2 1 319.424 2.761 20 0 DFADMP Cn1nc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c2ccccc21 ZINC000589639227 398566378 /nfs/dbraw/zinc/56/63/78/398566378.db2.gz XWKIKZCMSDQOHE-UHFFFAOYSA-N 2 1 308.429 2.925 20 0 DFADMP CSC[C@@H]1CCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597129069 398571849 /nfs/dbraw/zinc/57/18/49/398571849.db2.gz HNQRCKIQNIQOHG-CQSZACIVSA-N 2 1 302.447 2.842 20 0 DFADMP CSC[C@@H]1CCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000597129069 398571850 /nfs/dbraw/zinc/57/18/50/398571850.db2.gz HNQRCKIQNIQOHG-CQSZACIVSA-N 2 1 302.447 2.842 20 0 DFADMP CCC[N@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000597133639 398573459 /nfs/dbraw/zinc/57/34/59/398573459.db2.gz VONGEXFBKALIJK-UHFFFAOYSA-N 2 1 310.413 2.776 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(C(=O)OC)c(F)c1 ZINC000597133639 398573462 /nfs/dbraw/zinc/57/34/62/398573462.db2.gz VONGEXFBKALIJK-UHFFFAOYSA-N 2 1 310.413 2.776 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CC[N@@H+]1Cc1ccccc1 ZINC000459666301 299159817 /nfs/dbraw/zinc/15/98/17/299159817.db2.gz RKFVSKXUZQCLPN-FUHWJXTLSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cn(C)cn2)CC[N@H+]1Cc1ccccc1 ZINC000459666301 299159820 /nfs/dbraw/zinc/15/98/20/299159820.db2.gz RKFVSKXUZQCLPN-FUHWJXTLSA-N 2 1 312.461 2.605 20 0 DFADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000597221663 398595653 /nfs/dbraw/zinc/59/56/53/398595653.db2.gz VPGWYAIFJYOVPR-DZJNRPSUSA-N 2 1 316.445 2.581 20 0 DFADMP COC(=O)[C@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000597221663 398595658 /nfs/dbraw/zinc/59/56/58/398595658.db2.gz VPGWYAIFJYOVPR-DZJNRPSUSA-N 2 1 316.445 2.581 20 0 DFADMP COc1ccc(COCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000133653804 186003382 /nfs/dbraw/zinc/00/33/82/186003382.db2.gz XQJSLOFJDCDBOI-RKVPGOIHSA-N 2 1 306.450 2.530 20 0 DFADMP COc1ccc(COCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000133654415 186003411 /nfs/dbraw/zinc/00/34/11/186003411.db2.gz XQJSLOFJDCDBOI-RVKKMQEKSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@H](C1CC1)[N@@H+](C[C@@H](O)CN(C)Cc1ccccc1)C1CC1 ZINC000590125132 398598266 /nfs/dbraw/zinc/59/82/66/398598266.db2.gz IXSTYAKSLXRIER-BEFAXECRSA-N 2 1 302.462 2.742 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2CCC[N@H+]2CC(C)C)n1 ZINC000092925272 398608079 /nfs/dbraw/zinc/60/80/79/398608079.db2.gz RYQCRNHYLGSIMP-HNNXBMFYSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000092925272 398608082 /nfs/dbraw/zinc/60/80/82/398608082.db2.gz RYQCRNHYLGSIMP-HNNXBMFYSA-N 2 1 314.437 2.503 20 0 DFADMP Cn1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)c(-c2ccccc2)n1 ZINC000093054201 398617452 /nfs/dbraw/zinc/61/74/52/398617452.db2.gz FKPKBSYBCAELSV-UHFFFAOYSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)CC[N@H+]1C ZINC000155664082 186100314 /nfs/dbraw/zinc/10/03/14/186100314.db2.gz CCBQFJKZWRUCTL-LPHOPBHVSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H]1C[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)CC[N@@H+]1C ZINC000155664082 186100315 /nfs/dbraw/zinc/10/03/15/186100315.db2.gz CCBQFJKZWRUCTL-LPHOPBHVSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H]1C[C@@H](NCC(C)(C)[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000155664082 186100317 /nfs/dbraw/zinc/10/03/17/186100317.db2.gz CCBQFJKZWRUCTL-LPHOPBHVSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H]1C[C@@H](NCC(C)(C)[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000155664082 186100319 /nfs/dbraw/zinc/10/03/19/186100319.db2.gz CCBQFJKZWRUCTL-LPHOPBHVSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H]1C[C@@H](NCC(C)(C)[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000155664082 186100321 /nfs/dbraw/zinc/10/03/21/186100321.db2.gz CCBQFJKZWRUCTL-LPHOPBHVSA-N 2 1 315.505 2.896 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000459726052 299173825 /nfs/dbraw/zinc/17/38/25/299173825.db2.gz GBLFDDMFNAQAEL-CABCVRRESA-N 2 1 321.440 2.864 20 0 DFADMP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414840735 295824881 /nfs/dbraw/zinc/82/48/81/295824881.db2.gz HFDASAUSNKQCFB-GWCFXTLKSA-N 2 1 315.230 2.861 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCCN(Cc3ccccc3)C2)C1 ZINC000459743869 299179463 /nfs/dbraw/zinc/17/94/63/299179463.db2.gz XCOXUYFBPAHDBV-WOJBJXKFSA-N 2 1 315.505 2.973 20 0 DFADMP CC(C)n1ccc(C[C@H](C)[NH2+]CCC[NH2+]Cc2cccnc2)n1 ZINC000414877688 295829172 /nfs/dbraw/zinc/82/91/72/295829172.db2.gz MOGKJXZQDSCPDE-INIZCTEOSA-N 2 1 315.465 2.560 20 0 DFADMP CCOc1cc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)ccc1OC ZINC000386013963 398663655 /nfs/dbraw/zinc/66/36/55/398663655.db2.gz QVTJHZYGUVJIEW-MRXNPFEDSA-N 2 1 306.450 2.914 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000414898306 295831920 /nfs/dbraw/zinc/83/19/20/295831920.db2.gz BFKNBCILZRLEFH-AWEZNQCLSA-N 2 1 318.852 2.842 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(F)cc2Br)C1 ZINC000414929280 295836564 /nfs/dbraw/zinc/83/65/64/295836564.db2.gz RFXSSBUKLKNIJZ-RYUDHWBXSA-N 2 1 301.203 2.948 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000073225085 398668924 /nfs/dbraw/zinc/66/89/24/398668924.db2.gz LZBHZZNBVRHJAY-SFHVURJKSA-N 2 1 323.525 2.878 20 0 DFADMP CC1([NH2+]Cc2ccc(Br)cc2F)CC[NH2+]CC1 ZINC000414948138 295838930 /nfs/dbraw/zinc/83/89/30/295838930.db2.gz XSORUCIZQMWXOI-UHFFFAOYSA-N 2 1 301.203 2.820 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414954655 295840431 /nfs/dbraw/zinc/84/04/31/295840431.db2.gz SUWQSRCDAQEKDO-RDTXWAMCSA-N 2 1 311.429 2.987 20 0 DFADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c1 ZINC000590786679 398673885 /nfs/dbraw/zinc/67/38/85/398673885.db2.gz LZYQGDSRNRVVCZ-UHFFFAOYSA-N 2 1 317.477 2.986 20 0 DFADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c1 ZINC000590786679 398673888 /nfs/dbraw/zinc/67/38/88/398673888.db2.gz LZYQGDSRNRVVCZ-UHFFFAOYSA-N 2 1 317.477 2.986 20 0 DFADMP CCC(C)(C)NC(=O)[C@@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000590786176 398674422 /nfs/dbraw/zinc/67/44/22/398674422.db2.gz FNWOJIBOVMPTGE-OAHLLOKOSA-N 2 1 311.514 2.732 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]CCCc2ccc3c(c2)CCO3)C1 ZINC000459778369 299189768 /nfs/dbraw/zinc/18/97/68/299189768.db2.gz KVIQTVHLXOHFTE-QGZVFWFLSA-N 2 1 302.462 2.876 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414979674 295843598 /nfs/dbraw/zinc/84/35/98/295843598.db2.gz OEUIOPWWISPKCG-QGZVFWFLSA-N 2 1 321.428 2.761 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cncs2)cc1 ZINC000414990558 295844776 /nfs/dbraw/zinc/84/47/76/295844776.db2.gz AASYPFDJZNOURF-CJNGLKHVSA-N 2 1 305.422 2.765 20 0 DFADMP CCOc1cc(C[NH2+]C2CC[NH+](C)CC2)ccc1OC(F)F ZINC000072726299 191222336 /nfs/dbraw/zinc/22/23/36/191222336.db2.gz HQIWLTKAEBIJTM-UHFFFAOYSA-N 2 1 314.376 2.871 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858033 191239968 /nfs/dbraw/zinc/23/99/68/191239968.db2.gz MOYXVDGQXGVJKH-INIZCTEOSA-N 2 1 303.450 2.597 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858033 191239971 /nfs/dbraw/zinc/23/99/71/191239971.db2.gz MOYXVDGQXGVJKH-INIZCTEOSA-N 2 1 303.450 2.597 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccccc2C)C1 ZINC000072858033 191239974 /nfs/dbraw/zinc/23/99/74/191239974.db2.gz MOYXVDGQXGVJKH-INIZCTEOSA-N 2 1 303.450 2.597 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2cncc(F)c2)cc1 ZINC000415013273 295847358 /nfs/dbraw/zinc/84/73/58/295847358.db2.gz YKPXZQUYDDMMGG-QAPCUYQASA-N 2 1 317.383 2.843 20 0 DFADMP Cn1cc(CCC[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000590819504 398681536 /nfs/dbraw/zinc/68/15/36/398681536.db2.gz RLFJEZMXXKAJBP-LJQANCHMSA-N 2 1 318.509 2.941 20 0 DFADMP COc1ccc(C[NH2+]CCC[NH2+]C2CC2)c(OC(F)F)c1 ZINC000415066030 295853848 /nfs/dbraw/zinc/85/38/48/295853848.db2.gz IKPIOAAMSCQENS-UHFFFAOYSA-N 2 1 300.349 2.528 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(F)c(F)c1 ZINC000277139304 213320575 /nfs/dbraw/zinc/32/05/75/213320575.db2.gz ZZPIXHMRVLHXPH-JKSUJKDBSA-N 2 1 307.344 2.590 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(Br)ccc1F ZINC000401778888 398688271 /nfs/dbraw/zinc/68/82/71/398688271.db2.gz VBWFDCUFVKNSJL-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000173868534 198262409 /nfs/dbraw/zinc/26/24/09/198262409.db2.gz MTMWAISLOIKULS-CRAIPNDOSA-N 2 1 306.425 2.667 20 0 DFADMP O[C@H](C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1 ZINC000173868534 198262411 /nfs/dbraw/zinc/26/24/11/198262411.db2.gz MTMWAISLOIKULS-CRAIPNDOSA-N 2 1 306.425 2.667 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000174213284 198306237 /nfs/dbraw/zinc/30/62/37/198306237.db2.gz KNCHXUSNSYZYAS-OAHLLOKOSA-N 2 1 313.445 2.692 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000174213284 198306238 /nfs/dbraw/zinc/30/62/38/198306238.db2.gz KNCHXUSNSYZYAS-OAHLLOKOSA-N 2 1 313.445 2.692 20 0 DFADMP CC(C)OC(=O)C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccccc1 ZINC000415116217 295860370 /nfs/dbraw/zinc/86/03/70/295860370.db2.gz ZILMFFBNLILLKD-SJORKVTESA-N 2 1 304.434 2.801 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cn1ccnc1 ZINC000174318002 198318867 /nfs/dbraw/zinc/31/88/67/198318867.db2.gz RNZDBGHKNJCJJT-KRWDZBQOSA-N 2 1 312.461 2.773 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000174517496 198345669 /nfs/dbraw/zinc/34/56/69/198345669.db2.gz PDQRMTIQJIKFNS-DOTOQJQBSA-N 2 1 306.450 2.674 20 0 DFADMP C[N@H+](CCCc1ccc(Cl)cc1)CCCN1CC[NH+](C)CC1 ZINC000174717794 198375415 /nfs/dbraw/zinc/37/54/15/198375415.db2.gz FLLLBUUBIHLKCB-UHFFFAOYSA-N 2 1 323.912 2.842 20 0 DFADMP CC(C)Oc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000174717492 198375433 /nfs/dbraw/zinc/37/54/33/198375433.db2.gz MXIWPNBFTIZKMH-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP CC[N@@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000073949093 398711914 /nfs/dbraw/zinc/71/19/14/398711914.db2.gz IYBNJZPFWQFLPG-CVEARBPZSA-N 2 1 320.481 2.585 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)[C@H](C)C1 ZINC000073949093 398711916 /nfs/dbraw/zinc/71/19/16/398711916.db2.gz IYBNJZPFWQFLPG-CVEARBPZSA-N 2 1 320.481 2.585 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H]([NH+](C)C)CC1 ZINC000277050566 213263104 /nfs/dbraw/zinc/26/31/04/213263104.db2.gz CJKRCCCROPCUKT-OAHLLOKOSA-N 2 1 300.450 2.532 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC000591097020 398726611 /nfs/dbraw/zinc/72/66/11/398726611.db2.gz LUOQRRZGNQVRKZ-WBVHZDCISA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000591097020 398726616 /nfs/dbraw/zinc/72/66/16/398726616.db2.gz LUOQRRZGNQVRKZ-WBVHZDCISA-N 2 1 315.461 2.951 20 0 DFADMP C[C@@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000591097020 398726617 /nfs/dbraw/zinc/72/66/17/398726617.db2.gz LUOQRRZGNQVRKZ-WBVHZDCISA-N 2 1 315.461 2.951 20 0 DFADMP Cc1cc(C)n(CC[N@@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000597972999 398729895 /nfs/dbraw/zinc/72/98/95/398729895.db2.gz SMNHTCJEWLMPLT-QGZVFWFLSA-N 2 1 313.449 2.637 20 0 DFADMP Cc1cc(C)n(CC[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)n1 ZINC000597972999 398729896 /nfs/dbraw/zinc/72/98/96/398729896.db2.gz SMNHTCJEWLMPLT-QGZVFWFLSA-N 2 1 313.449 2.637 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000130732473 283059602 /nfs/dbraw/zinc/05/96/02/283059602.db2.gz UDNCWYJCOZCSQI-OAHLLOKOSA-N 2 1 308.470 2.547 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@H](C)C(=O)N(C(C)C)C(C)C ZINC000130732473 283059605 /nfs/dbraw/zinc/05/96/05/283059605.db2.gz UDNCWYJCOZCSQI-OAHLLOKOSA-N 2 1 308.470 2.547 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000597975383 398730744 /nfs/dbraw/zinc/73/07/44/398730744.db2.gz WCMMSBNEVVRMTQ-ZWKOTPCHSA-N 2 1 324.428 2.634 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+]([C@@H]2CCN(c3ccccc3)C2=O)C1 ZINC000597975383 398730745 /nfs/dbraw/zinc/73/07/45/398730745.db2.gz WCMMSBNEVVRMTQ-ZWKOTPCHSA-N 2 1 324.428 2.634 20 0 DFADMP COc1ccc(C[N@@H+](C)CCn2ccnc2)cc1OC(F)F ZINC000131106775 283071663 /nfs/dbraw/zinc/07/16/63/283071663.db2.gz JTXUBUVYGUKAOW-UHFFFAOYSA-N 2 1 311.332 2.625 20 0 DFADMP CCC[N@H+](CC(=O)N(CC(C)C)CC(C)C)C1CC[NH2+]CC1 ZINC000261739812 283090394 /nfs/dbraw/zinc/09/03/94/283090394.db2.gz RZESEBUEESURAG-UHFFFAOYSA-N 2 1 311.514 2.591 20 0 DFADMP CCC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)C1CC[NH2+]CC1 ZINC000261739812 283090395 /nfs/dbraw/zinc/09/03/95/283090395.db2.gz RZESEBUEESURAG-UHFFFAOYSA-N 2 1 311.514 2.591 20 0 DFADMP CC(C)c1[nH+]ccn1Cc1cccc(NC(=O)C(C)(C)[NH3+])c1 ZINC000236828068 202028343 /nfs/dbraw/zinc/02/83/43/202028343.db2.gz JOTWNIFZYIJYKE-UHFFFAOYSA-N 2 1 300.406 2.731 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCC[C@@H](C)C1 ZINC000236966934 202098793 /nfs/dbraw/zinc/09/87/93/202098793.db2.gz DPTPVSLBNXKFBB-CRAIPNDOSA-N 2 1 317.477 2.662 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000121217192 398786332 /nfs/dbraw/zinc/78/63/32/398786332.db2.gz GTADJVKUVYJHGS-HOCLYGCPSA-N 2 1 306.450 2.566 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000075158598 398788690 /nfs/dbraw/zinc/78/86/90/398788690.db2.gz KRTOHCSSABYZBC-SFHVURJKSA-N 2 1 317.477 2.695 20 0 DFADMP C[N@@H+](CCCNC(=O)C[C@H]([NH3+])c1ccccc1)C1CCCCC1 ZINC000237068282 202141667 /nfs/dbraw/zinc/14/16/67/202141667.db2.gz WKWUEKVVPAQWSN-SFHVURJKSA-N 2 1 317.477 2.847 20 0 DFADMP C[NH2+]CCCC(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000237182504 202178327 /nfs/dbraw/zinc/17/83/27/202178327.db2.gz YBNNQWFXLUBSMJ-INIZCTEOSA-N 2 1 317.477 2.677 20 0 DFADMP COc1ccc(C[N@@H+](C)CC2CC[NH2+]CC2)cc1OC(F)F ZINC000237268933 202211604 /nfs/dbraw/zinc/21/16/04/202211604.db2.gz FJTVQRYJCRGPAJ-UHFFFAOYSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@@H](Cn1cccn1)[NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000138728591 283257987 /nfs/dbraw/zinc/25/79/87/283257987.db2.gz KCECOHMNUZFVJT-IRXDYDNUSA-N 2 1 300.450 2.772 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H](C)Cn2cccn2)c1 ZINC000139125646 283259010 /nfs/dbraw/zinc/25/90/10/283259010.db2.gz MBYHQLDMGURFDO-MRXNPFEDSA-N 2 1 300.450 2.902 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CCC2 ZINC000594494469 398808947 /nfs/dbraw/zinc/80/89/47/398808947.db2.gz GOAUKYYGCARXBA-KSSFIOAISA-N 2 1 316.445 2.782 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)c2ccccc2N(C)C)CC1 ZINC000179404321 199030065 /nfs/dbraw/zinc/03/00/65/199030065.db2.gz NIRTXQPBTPIXAQ-OAHLLOKOSA-N 2 1 305.466 2.514 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCC(=O)N2CCC[C@H]2C)CC1 ZINC000075642724 398814958 /nfs/dbraw/zinc/81/49/58/398814958.db2.gz SPJNEFMLXMGDMX-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)[C@@H]1C ZINC000354491942 291120200 /nfs/dbraw/zinc/12/02/00/291120200.db2.gz DJYFQYVWEVMGHC-ICAOIODUSA-N 2 1 308.466 2.569 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)[C@@H]1C ZINC000354491942 291120202 /nfs/dbraw/zinc/12/02/02/291120202.db2.gz DJYFQYVWEVMGHC-ICAOIODUSA-N 2 1 308.466 2.569 20 0 DFADMP C[C@H](C[N@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000152389383 283321269 /nfs/dbraw/zinc/32/12/69/283321269.db2.gz VCPJYSBVETWIJR-QLFBSQMISA-N 2 1 317.468 2.672 20 0 DFADMP C[C@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH2+]C1CCN(CC(F)F)CC1 ZINC000152389383 283321273 /nfs/dbraw/zinc/32/12/73/283321273.db2.gz VCPJYSBVETWIJR-QLFBSQMISA-N 2 1 317.468 2.672 20 0 DFADMP CC(C)[C@@H](C)NC(=O)C[NH+]1CCC(C[NH+]2CCC(C)CC2)CC1 ZINC000052184225 398834255 /nfs/dbraw/zinc/83/42/55/398834255.db2.gz QZEAOJMUSFHGCS-QGZVFWFLSA-N 2 1 323.525 2.591 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c(C)o1 ZINC000594608681 398831622 /nfs/dbraw/zinc/83/16/22/398831622.db2.gz YNZVDZVMQDFRCN-OAHLLOKOSA-N 2 1 322.449 2.832 20 0 DFADMP COC(=O)c1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c(C)o1 ZINC000594608681 398831624 /nfs/dbraw/zinc/83/16/24/398831624.db2.gz YNZVDZVMQDFRCN-OAHLLOKOSA-N 2 1 322.449 2.832 20 0 DFADMP Cn1cc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(-c2ccccc2)n1 ZINC000180055218 199112966 /nfs/dbraw/zinc/11/29/66/199112966.db2.gz BVQIPYJUBBMWSN-UHFFFAOYSA-N 2 1 312.461 2.861 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](O)C1 ZINC000276686375 213045998 /nfs/dbraw/zinc/04/59/98/213045998.db2.gz UFBMTKVIIXVCSU-BVBHFADKSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)C[C@H](C[NH+](C)C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000467613376 299273765 /nfs/dbraw/zinc/27/37/65/299273765.db2.gz LTINSLFITNSWFO-DLBZAZTESA-N 2 1 323.525 2.734 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000594735631 398852047 /nfs/dbraw/zinc/85/20/47/398852047.db2.gz LTRUROWBDKNHJY-SFHVURJKSA-N 2 1 316.445 2.685 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000180406314 199155527 /nfs/dbraw/zinc/15/55/27/199155527.db2.gz ZMDABNAEOYVIJL-QKKBWIMNSA-N 2 1 308.491 2.947 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC1([NH+](C)C)CCCCCC1 ZINC000468141409 299276883 /nfs/dbraw/zinc/27/68/83/299276883.db2.gz DGITYYGNSSTGRH-IYBDPMFKSA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC000594922338 398872613 /nfs/dbraw/zinc/87/26/13/398872613.db2.gz FDUSPIYRDRIXFS-WCVJEAGWSA-N 2 1 310.482 2.674 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@H](C)[C@@H]2C[C@@H]2C(=O)OC)C1 ZINC000594922338 398872616 /nfs/dbraw/zinc/87/26/16/398872616.db2.gz FDUSPIYRDRIXFS-WCVJEAGWSA-N 2 1 310.482 2.674 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCCC[C@@H]1C ZINC000447092126 297295013 /nfs/dbraw/zinc/29/50/13/297295013.db2.gz YCCDKLTUXUYZKB-KBPBESRZSA-N 2 1 323.506 2.802 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCCC[C@@H]1C ZINC000447092126 297295015 /nfs/dbraw/zinc/29/50/15/297295015.db2.gz YCCDKLTUXUYZKB-KBPBESRZSA-N 2 1 323.506 2.802 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]CCC[NH+]2CCCCC2)c1C ZINC000598953473 398896037 /nfs/dbraw/zinc/89/60/37/398896037.db2.gz WQWMSXDHXBMVTD-UHFFFAOYSA-N 2 1 321.465 2.774 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@@H]2CCC[N@@H+](CC)C2)c1C ZINC000598959326 398897697 /nfs/dbraw/zinc/89/76/97/398897697.db2.gz ILYDRVIRDQPCBI-HNNXBMFYSA-N 2 1 321.465 2.630 20 0 DFADMP Cn1cc(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000077316132 398897840 /nfs/dbraw/zinc/89/78/40/398897840.db2.gz JWFIDLVJXAJPKK-SFHVURJKSA-N 2 1 304.482 2.551 20 0 DFADMP Cn1cc(CC[N@H+]2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000077316132 398897844 /nfs/dbraw/zinc/89/78/44/398897844.db2.gz JWFIDLVJXAJPKK-SFHVURJKSA-N 2 1 304.482 2.551 20 0 DFADMP CN1CC[C@@H](C[N@@H+](C)CC[C@H]2CCCO2)[C@@H]1c1cccnc1 ZINC000469999145 299290852 /nfs/dbraw/zinc/29/08/52/299290852.db2.gz KXGVQZZHRUMOLH-KSZLIROESA-N 2 1 303.450 2.575 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)c1C ZINC000598981626 398902649 /nfs/dbraw/zinc/90/26/49/398902649.db2.gz PKWZXZRKLSVFSL-HNNXBMFYSA-N 2 1 321.465 2.630 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(SCC)CC2)[C@@H](C)C1 ZINC000595098229 398904613 /nfs/dbraw/zinc/90/46/13/398904613.db2.gz DZIINMKKZMTMGE-JKSUJKDBSA-N 2 1 314.539 2.999 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H]3CCCCC3(C)C)C2)CC1 ZINC000595311479 398921160 /nfs/dbraw/zinc/92/11/60/398921160.db2.gz HFJUNPMMJFNNOT-MSOLQXFVSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H]1C[C@@H](NCC2([NH+](C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000417351466 296012788 /nfs/dbraw/zinc/01/27/88/296012788.db2.gz CRLWPTIOGWFUFS-WMZOPIPTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000417351466 296012790 /nfs/dbraw/zinc/01/27/90/296012790.db2.gz CRLWPTIOGWFUFS-WMZOPIPTSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(N(C)C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000417351466 296012791 /nfs/dbraw/zinc/01/27/91/296012791.db2.gz CRLWPTIOGWFUFS-WMZOPIPTSA-N 2 1 301.478 2.723 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000599296071 398949688 /nfs/dbraw/zinc/94/96/88/398949688.db2.gz FUEZPUBFWFFZKR-SFHVURJKSA-N 2 1 317.477 2.629 20 0 DFADMP C[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1cccc(N2CCOC2=O)c1 ZINC000271898685 209306747 /nfs/dbraw/zinc/30/67/47/209306747.db2.gz VBGLIQBNQOSJSH-CQSZACIVSA-N 2 1 315.417 2.556 20 0 DFADMP CC[C@H](CO)[NH+]1CCN(c2cc[nH+]c3ccc(Cl)cc32)CC1 ZINC000078523638 398964075 /nfs/dbraw/zinc/96/40/75/398964075.db2.gz RBCCAEQFVHSMIA-CQSZACIVSA-N 2 1 319.836 2.781 20 0 DFADMP C[C@H](C[S@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000193280506 201019409 /nfs/dbraw/zinc/01/94/09/201019409.db2.gz JPPYYWLFSBXTNR-UPCUXIEASA-N 2 1 320.502 2.539 20 0 DFADMP C[C@H](C[S@](C)=O)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000193280506 201019413 /nfs/dbraw/zinc/01/94/13/201019413.db2.gz JPPYYWLFSBXTNR-UPCUXIEASA-N 2 1 320.502 2.539 20 0 DFADMP COC(=O)[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000600150590 398973078 /nfs/dbraw/zinc/97/30/78/398973078.db2.gz FDHDPVPMYQHFLL-APWZRJJASA-N 2 1 318.461 2.580 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCc2ccc3c(c2)CCO3)C1 ZINC000472471990 299326550 /nfs/dbraw/zinc/32/65/50/299326550.db2.gz SDHXCRQEDVLVCF-SFHVURJKSA-N 2 1 314.473 2.828 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000472471990 299326554 /nfs/dbraw/zinc/32/65/54/299326554.db2.gz SDHXCRQEDVLVCF-SFHVURJKSA-N 2 1 314.473 2.828 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000472471990 299326556 /nfs/dbraw/zinc/32/65/56/299326556.db2.gz SDHXCRQEDVLVCF-SFHVURJKSA-N 2 1 314.473 2.828 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC(CC[NH+](C)C)CC2)cc1F ZINC000056522404 398976315 /nfs/dbraw/zinc/97/63/15/398976315.db2.gz ZHHIBUDGWSZQPZ-UHFFFAOYSA-N 2 1 321.440 2.736 20 0 DFADMP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417706418 296042545 /nfs/dbraw/zinc/04/25/45/296042545.db2.gz UDHAFHUBWZCDNO-UHFFFAOYSA-N 2 1 317.477 2.693 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)Cc2ccccc2C(=O)N(C)C)CC1 ZINC000417706418 296042546 /nfs/dbraw/zinc/04/25/46/296042546.db2.gz UDHAFHUBWZCDNO-UHFFFAOYSA-N 2 1 317.477 2.693 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1 ZINC000194536399 201246193 /nfs/dbraw/zinc/24/61/93/201246193.db2.gz ISUSQHHXGZCMIH-HDICACEKSA-N 2 1 323.440 2.654 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1 ZINC000194536399 201246195 /nfs/dbraw/zinc/24/61/95/201246195.db2.gz ISUSQHHXGZCMIH-HDICACEKSA-N 2 1 323.440 2.654 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1 ZINC000194536399 201246198 /nfs/dbraw/zinc/24/61/98/201246198.db2.gz ISUSQHHXGZCMIH-HDICACEKSA-N 2 1 323.440 2.654 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3cccc(OCc4ccccn4)c3)C[C@@H]2C1 ZINC000194536399 201246201 /nfs/dbraw/zinc/24/62/01/201246201.db2.gz ISUSQHHXGZCMIH-HDICACEKSA-N 2 1 323.440 2.654 20 0 DFADMP CC[C@H]1CCC[N@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000605026220 398994423 /nfs/dbraw/zinc/99/44/23/398994423.db2.gz HWLCTAWBEJPRGE-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@H]1CCC[N@@H+](C[C@@H](O)C[NH+](C)Cc2ccccc2)CC1 ZINC000605026220 398994429 /nfs/dbraw/zinc/99/44/29/398994429.db2.gz HWLCTAWBEJPRGE-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@H]1CCC[NH+](C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000605026220 398994435 /nfs/dbraw/zinc/99/44/35/398994435.db2.gz HWLCTAWBEJPRGE-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CC[C@H]1CCC[NH+](C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000605026220 398994440 /nfs/dbraw/zinc/99/44/40/398994440.db2.gz HWLCTAWBEJPRGE-HKUYNNGSSA-N 2 1 304.478 2.991 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796562 296051738 /nfs/dbraw/zinc/05/17/38/296051738.db2.gz SKJSCPZQCLXNOG-RDJZCZTQSA-N 2 1 317.477 2.693 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796562 296051740 /nfs/dbraw/zinc/05/17/40/296051740.db2.gz SKJSCPZQCLXNOG-RDJZCZTQSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796562 296051741 /nfs/dbraw/zinc/05/17/41/296051741.db2.gz SKJSCPZQCLXNOG-RDJZCZTQSA-N 2 1 317.477 2.693 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccccc2C(=O)N(C)C)C[C@@H]1C ZINC000417796562 296051742 /nfs/dbraw/zinc/05/17/42/296051742.db2.gz SKJSCPZQCLXNOG-RDJZCZTQSA-N 2 1 317.477 2.693 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642038 399006560 /nfs/dbraw/zinc/00/65/60/399006560.db2.gz CDMFOQBAIYSXEK-SJORKVTESA-N 2 1 309.498 2.537 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc(Br)cc2F)CC1 ZINC000271811210 209236194 /nfs/dbraw/zinc/23/61/94/209236194.db2.gz KUKQDCYOXQASAT-UHFFFAOYSA-N 2 1 313.214 2.940 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccc(O)c1 ZINC000249459292 283790083 /nfs/dbraw/zinc/79/00/83/283790083.db2.gz GMAPOJKXGTYANO-GDIGMMSISA-N 2 1 318.461 2.811 20 0 DFADMP CN(C)C(=O)c1ccccc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000418002046 296070492 /nfs/dbraw/zinc/07/04/92/296070492.db2.gz YIOJRMDABQJRQE-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP C[C@H](CC[NH2+]Cc1ccccc1C(=O)N(C)C)[NH+]1CCCCC1 ZINC000418010122 296071211 /nfs/dbraw/zinc/07/12/11/296071211.db2.gz SJTMGBMOLKFFTR-MRXNPFEDSA-N 2 1 317.477 2.743 20 0 DFADMP CC[C@@H](C(=O)OC)[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476984763 299358413 /nfs/dbraw/zinc/35/84/13/299358413.db2.gz MPBKWNSFTDOJKT-WBVHZDCISA-N 2 1 310.482 2.915 20 0 DFADMP CC[C@@H](C(=O)OC)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000476984763 299358416 /nfs/dbraw/zinc/35/84/16/299358416.db2.gz MPBKWNSFTDOJKT-WBVHZDCISA-N 2 1 310.482 2.915 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@H+](C)CCCn2cc[nH+]c2C)cc1C ZINC000091632249 193083164 /nfs/dbraw/zinc/08/31/64/193083164.db2.gz OUUOVEKRNYXORX-ZDUSSCGKSA-N 2 1 319.405 2.963 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@@H+](C)CCCn2cc[nH+]c2C)cc1C ZINC000091632249 193083166 /nfs/dbraw/zinc/08/31/66/193083166.db2.gz OUUOVEKRNYXORX-ZDUSSCGKSA-N 2 1 319.405 2.963 20 0 DFADMP CCCc1ccc(C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)s1 ZINC000621731877 399053423 /nfs/dbraw/zinc/05/34/23/399053423.db2.gz DFULTECHRXQDKG-UHFFFAOYSA-N 2 1 308.491 2.997 20 0 DFADMP c1ccc([C@H]2OCC[C@@H]2C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1 ZINC000477925143 299364628 /nfs/dbraw/zinc/36/46/28/299364628.db2.gz HWUKPECPGOSWPY-NCXUSEDFSA-N 2 1 300.446 2.981 20 0 DFADMP C[NH+](C)[C@H](C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C)c1cccc(Cl)c1 ZINC000613660661 399051723 /nfs/dbraw/zinc/05/17/23/399051723.db2.gz MPVSIHGSWIWWMR-OAGGEKHMSA-N 2 1 323.868 2.542 20 0 DFADMP CCO[C@H]1CCC[NH+](CC(C)C[N@@H+]2CCC[C@H](OCC)C2)C1 ZINC000606439210 399069937 /nfs/dbraw/zinc/06/99/37/399069937.db2.gz KSJFKSGFYFBRSW-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP [NH3+][C@@]12CCC[C@H]1C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780943 399076112 /nfs/dbraw/zinc/07/61/12/399076112.db2.gz XNYHHATWOYSJJK-OXJNMPFZSA-N 2 1 323.440 2.982 20 0 DFADMP [NH3+][C@@]12CCC[C@H]1C[N@@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000621780943 399076120 /nfs/dbraw/zinc/07/61/20/399076120.db2.gz XNYHHATWOYSJJK-OXJNMPFZSA-N 2 1 323.440 2.982 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000092165806 193169772 /nfs/dbraw/zinc/16/97/72/193169772.db2.gz UMESUVGMPXZJDY-UHFFFAOYSA-N 2 1 313.449 2.778 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000092165806 193169774 /nfs/dbraw/zinc/16/97/74/193169774.db2.gz UMESUVGMPXZJDY-UHFFFAOYSA-N 2 1 313.449 2.778 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@@H](C)c1ccccc1 ZINC000128277202 296123300 /nfs/dbraw/zinc/12/33/00/296123300.db2.gz LDOWLQIASHMEMA-QZTJIDSGSA-N 2 1 303.494 2.796 20 0 DFADMP Cc1cc(N2C[C@@H](C)[N@H+](CCO)C[C@@H]2C)c2cc(F)ccc2[nH+]1 ZINC000419005391 296123698 /nfs/dbraw/zinc/12/36/98/296123698.db2.gz PIKNTTXPRXGBKJ-KGLIPLIRSA-N 2 1 317.408 2.574 20 0 DFADMP CC[C@H](c1ccccc1)[N@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338235831 284091950 /nfs/dbraw/zinc/09/19/50/284091950.db2.gz QRJOBDBQBPTCCS-GOSISDBHSA-N 2 1 317.477 2.624 20 0 DFADMP CC[C@H](c1ccccc1)[N@@H+](CC)CCC(=O)N1CC[NH+](C)CC1 ZINC000338235831 284091954 /nfs/dbraw/zinc/09/19/54/284091954.db2.gz QRJOBDBQBPTCCS-GOSISDBHSA-N 2 1 317.477 2.624 20 0 DFADMP CC(C)(C)CN1CCC[C@H]([NH2+]C2CC[NH+](C3CCC3)CC2)C1=O ZINC000419296224 296132752 /nfs/dbraw/zinc/13/27/52/296132752.db2.gz RMZGLGFHTUJWFA-KRWDZBQOSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](C)[C@@H]2CCC[C@H]2C(C)(C)C)CC1 ZINC000419327191 296134622 /nfs/dbraw/zinc/13/46/22/296134622.db2.gz NIPIJINDBXUYAG-IAGOWNOFSA-N 2 1 323.525 2.734 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c2C1 ZINC000261871498 203138439 /nfs/dbraw/zinc/13/84/39/203138439.db2.gz XVSKYWGGVBEBIV-UKRRQHHQSA-N 2 1 301.434 2.726 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@@H]3CCC[C@@H]3C[NH3+])c2C1 ZINC000261871498 203138443 /nfs/dbraw/zinc/13/84/43/203138443.db2.gz XVSKYWGGVBEBIV-UKRRQHHQSA-N 2 1 301.434 2.726 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)CC1CC[NH+](C)CC1 ZINC000093089024 193202143 /nfs/dbraw/zinc/20/21/43/193202143.db2.gz MZZMKPDCIPFLOW-UHFFFAOYSA-N 2 1 316.424 2.989 20 0 DFADMP COCCCOc1cccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c1 ZINC000093089372 193202366 /nfs/dbraw/zinc/20/23/66/193202366.db2.gz NTCXFVGGIIWLLV-UHFFFAOYSA-N 2 1 320.477 2.876 20 0 DFADMP C[N@H+](Cc1cnc(-c2ccccn2)s1)CC1CC[NH+](C)CC1 ZINC000093089388 193203218 /nfs/dbraw/zinc/20/32/18/193203218.db2.gz HWLGSFSQCUJUJY-UHFFFAOYSA-N 2 1 316.474 2.979 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NCC[C@H](C)[N@@H+](C)Cc1ccccc1 ZINC000262095435 203196959 /nfs/dbraw/zinc/19/69/59/203196959.db2.gz BNVRURBJTHKWQY-MAUKXSAKSA-N 2 1 305.466 2.531 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000262381947 203278698 /nfs/dbraw/zinc/27/86/98/203278698.db2.gz LPMBQKHCTTWEAF-HOTGVXAUSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000262645181 203362841 /nfs/dbraw/zinc/36/28/41/203362841.db2.gz JXJMPZHPRDVSLG-WBVHZDCISA-N 2 1 317.477 2.622 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)NCC(C)(C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000262645181 203362844 /nfs/dbraw/zinc/36/28/44/203362844.db2.gz JXJMPZHPRDVSLG-WBVHZDCISA-N 2 1 317.477 2.622 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]Cc1cc(F)cc(Cl)c1 ZINC000275000601 212067335 /nfs/dbraw/zinc/06/73/35/212067335.db2.gz NPJQMNGSHKMMKG-INIZCTEOSA-N 2 1 314.832 2.806 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725333 399125027 /nfs/dbraw/zinc/12/50/27/399125027.db2.gz JAWUGWLQFFNPTI-CHWSQXEVSA-N 2 1 324.387 2.569 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000600725337 399125196 /nfs/dbraw/zinc/12/51/96/399125196.db2.gz JAWUGWLQFFNPTI-OLZOCXBDSA-N 2 1 324.387 2.569 20 0 DFADMP C[C@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)[C@]1(C)CCCO1 ZINC000340298427 284171119 /nfs/dbraw/zinc/17/11/19/284171119.db2.gz XPIZUTIHPHIMNL-IRXDYDNUSA-N 2 1 310.482 2.569 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CCO)CCC2)C[C@@H]1c1ccccc1 ZINC000340305610 284171828 /nfs/dbraw/zinc/17/18/28/284171828.db2.gz QTTPHYHQESDKII-QZTJIDSGSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CCO)CCC2)C[C@@H]1c1ccccc1 ZINC000340305610 284171829 /nfs/dbraw/zinc/17/18/29/284171829.db2.gz QTTPHYHQESDKII-QZTJIDSGSA-N 2 1 302.462 2.964 20 0 DFADMP [NH3+]C[C@@H]1CCCN1c1cc[nH+]c2ccc(Br)cc21 ZINC000420204772 296162182 /nfs/dbraw/zinc/16/21/82/296162182.db2.gz STSCEJDWSCPKRD-NSHDSACASA-N 2 1 306.207 2.925 20 0 DFADMP COC[C@@]1(CNc2cc(C)[nH+]c3c(OC)cccc23)CCC[NH2+]1 ZINC000420241357 296165018 /nfs/dbraw/zinc/16/50/18/296165018.db2.gz AWUMJKSBHPMPMQ-SFHVURJKSA-N 2 1 315.417 2.732 20 0 DFADMP Brc1ccc2[nH+]ccc(N3CC[C@@H]4C[NH2+]C[C@@H]43)c2c1 ZINC000420278708 296168721 /nfs/dbraw/zinc/16/87/21/296168721.db2.gz OBTSUOCQTVAAPG-BMIGLBTASA-N 2 1 318.218 2.795 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1)C(C)C ZINC000264902110 204252964 /nfs/dbraw/zinc/25/29/64/204252964.db2.gz LORAXCVNZRTJLR-MRXNPFEDSA-N 2 1 319.493 2.987 20 0 DFADMP C[C@H]([NH3+])[C@H]1CCC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000420295693 296170695 /nfs/dbraw/zinc/17/06/95/296170695.db2.gz VYPUHQJVYIMODJ-RYUDHWBXSA-N 2 1 300.805 2.917 20 0 DFADMP COc1ccccc1C[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000420297428 296170738 /nfs/dbraw/zinc/17/07/38/296170738.db2.gz DITSJFGLNVVWOF-FUHWJXTLSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccccc1C[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@H]1CCCO1 ZINC000420297429 296170822 /nfs/dbraw/zinc/17/08/22/296170822.db2.gz DITSJFGLNVVWOF-SJLPKXTDSA-N 2 1 318.461 2.676 20 0 DFADMP [NH3+]CCC[N@H+]1CCC[C@@H](c2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000420297464 296170945 /nfs/dbraw/zinc/17/09/45/296170945.db2.gz FURGLIFNKXRIMI-CYBMUJFWSA-N 2 1 320.824 2.918 20 0 DFADMP Fc1ccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1F ZINC000420300323 296171309 /nfs/dbraw/zinc/17/13/09/296171309.db2.gz KAKHTGMMRAUJJU-DYVFJYSZSA-N 2 1 310.388 2.728 20 0 DFADMP Fc1ccc([C@@H]2C[N@@H+](CC[C@H]3CCC[NH2+]C3)CCO2)cc1F ZINC000420300323 296171311 /nfs/dbraw/zinc/17/13/11/296171311.db2.gz KAKHTGMMRAUJJU-DYVFJYSZSA-N 2 1 310.388 2.728 20 0 DFADMP CCC[N@@H+](C)CC(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000341619288 284270666 /nfs/dbraw/zinc/27/06/66/284270666.db2.gz SWYWHWYVJLGTCR-INIZCTEOSA-N 2 1 317.477 2.670 20 0 DFADMP CC(C)[N@H+](C[C@H](C)[NH3+])C[C@H](O)COc1cccc2ccccc21 ZINC000420302984 296172084 /nfs/dbraw/zinc/17/20/84/296172084.db2.gz KEHONDIVGLGETH-RDJZCZTQSA-N 2 1 316.445 2.637 20 0 DFADMP CC(C)[N@@H+](C[C@H](C)[NH3+])C[C@H](O)COc1cccc2ccccc21 ZINC000420302984 296172085 /nfs/dbraw/zinc/17/20/85/296172085.db2.gz KEHONDIVGLGETH-RDJZCZTQSA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420305161 296172208 /nfs/dbraw/zinc/17/22/08/296172208.db2.gz JUCJFFYVACPKHY-VXGBXAGGSA-N 2 1 318.442 2.857 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000420305161 296172210 /nfs/dbraw/zinc/17/22/10/296172210.db2.gz JUCJFFYVACPKHY-VXGBXAGGSA-N 2 1 318.442 2.857 20 0 DFADMP CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(c2ccccc2)C1=O ZINC000420301105 296171805 /nfs/dbraw/zinc/17/18/05/296171805.db2.gz LAWNFWLSFRTKOQ-FUHWJXTLSA-N 2 1 315.461 2.504 20 0 DFADMP COc1ccc([C@@H](C[NH3+])CN(C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000420307227 296172617 /nfs/dbraw/zinc/17/26/17/296172617.db2.gz BHHCDVFYJSABIR-ZWKOTPCHSA-N 2 1 319.493 2.544 20 0 DFADMP C[NH2+]CCC1CC[NH+]([C@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000420309907 296173104 /nfs/dbraw/zinc/17/31/04/296173104.db2.gz PCFCBVPOVMRRJW-CQSZACIVSA-N 2 1 320.485 2.561 20 0 DFADMP CCN(CC)CC[N@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420309236 296172974 /nfs/dbraw/zinc/17/29/74/296172974.db2.gz DTJCUIFOEZCZLB-SFHVURJKSA-N 2 1 303.494 2.830 20 0 DFADMP CCN(CC)CC[N@@H+](CC[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000420309236 296172975 /nfs/dbraw/zinc/17/29/75/296172975.db2.gz DTJCUIFOEZCZLB-SFHVURJKSA-N 2 1 303.494 2.830 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C[C@@H](C[NH3+])c2ccc(OC)cc2)C[C@H]1C ZINC000420308059 296173024 /nfs/dbraw/zinc/17/30/24/296173024.db2.gz CISWWIGHPFFAFP-NXHRZFHOSA-N 2 1 319.493 2.542 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c(OC)c1 ZINC000341886721 284283108 /nfs/dbraw/zinc/28/31/08/284283108.db2.gz CCTSYEHGTZYFQA-JJRVBVJISA-N 2 1 306.450 2.565 20 0 DFADMP COc1ccc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)cc1OC(F)F ZINC000420318257 296174509 /nfs/dbraw/zinc/17/45/09/296174509.db2.gz OFVPCTUJOBNVBU-GFCCVEGCSA-N 2 1 314.376 2.728 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)n1 ZINC000420319801 296174591 /nfs/dbraw/zinc/17/45/91/296174591.db2.gz PMXNHXQHONXVKE-SJORKVTESA-N 2 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000420319801 296174592 /nfs/dbraw/zinc/17/45/92/296174592.db2.gz PMXNHXQHONXVKE-SJORKVTESA-N 3 1 302.466 2.514 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH2+]C3)C2)[nH+]1 ZINC000420319801 296174594 /nfs/dbraw/zinc/17/45/94/296174594.db2.gz PMXNHXQHONXVKE-SJORKVTESA-N 3 1 302.466 2.514 20 0 DFADMP CCN(C[C@@H]1CC[N@@H+](CC[C@H]2CCC[NH2+]C2)C1)CC(F)(F)F ZINC000420317851 296174118 /nfs/dbraw/zinc/17/41/18/296174118.db2.gz NHCJCKZSALFSIZ-CABCVRRESA-N 2 1 321.431 2.582 20 0 DFADMP CC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC1CCN(c2ccccn2)CC1 ZINC000420316681 296174124 /nfs/dbraw/zinc/17/41/24/296174124.db2.gz MCALBVXZCZJBQC-KRWDZBQOSA-N 2 1 316.493 2.620 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1Cc1ccccc1 ZINC000420322846 296175028 /nfs/dbraw/zinc/17/50/28/296175028.db2.gz SNMZYEMWFCLUOE-HKBOAZHASA-N 2 1 324.468 2.624 20 0 DFADMP CO[C@H](C)c1nc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cs1 ZINC000420321552 296174892 /nfs/dbraw/zinc/17/48/92/296174892.db2.gz CTKCKCWRINFASE-MCIONIFRSA-N 2 1 309.479 2.672 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+]([C@H]2CCc3ccc(F)cc32)CC12CCOCC2 ZINC000420321260 296174929 /nfs/dbraw/zinc/17/49/29/296174929.db2.gz COZYGRMVVREVNG-PBHICJAKSA-N 2 1 304.409 2.500 20 0 DFADMP C[C@@H](c1cc(F)ccc1F)[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328661 296176198 /nfs/dbraw/zinc/17/61/98/296176198.db2.gz MQYASEJCRQCSOV-QWHCGFSZSA-N 2 1 310.388 2.713 20 0 DFADMP C[C@@H](c1cc(F)ccc1F)[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420328661 296176201 /nfs/dbraw/zinc/17/62/01/296176201.db2.gz MQYASEJCRQCSOV-QWHCGFSZSA-N 2 1 310.388 2.713 20 0 DFADMP c1cc2c(cc1[C@H]1CCC[N@@H+]1CC[C@H]1CC[NH2+]C1)OCCO2 ZINC000420327851 296176205 /nfs/dbraw/zinc/17/62/05/296176205.db2.gz YZNAZGGOILXWTI-GDBMZVCRSA-N 2 1 302.418 2.594 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)c(C)c1 ZINC000420331377 296176348 /nfs/dbraw/zinc/17/63/48/296176348.db2.gz BVGWJYMRUIMBEB-IAGOWNOFSA-N 2 1 315.461 2.563 20 0 DFADMP CCc1cnc(C[NH+]2CCC(OCC[NH+](CC)CC)CC2)o1 ZINC000080650452 399166206 /nfs/dbraw/zinc/16/62/06/399166206.db2.gz PIQHEOMTWZZOGG-UHFFFAOYSA-N 2 1 309.454 2.560 20 0 DFADMP Cc1ccccc1NC(=O)[C@H](C)[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420331186 296176515 /nfs/dbraw/zinc/17/65/15/296176515.db2.gz BSXLTWQZAAZNQR-BBWFWOEESA-N 2 1 315.461 2.644 20 0 DFADMP CSc1ccccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000420327166 296175764 /nfs/dbraw/zinc/17/57/64/296175764.db2.gz KUNJTINVGIEVEE-OAHLLOKOSA-N 2 1 306.475 2.596 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420338038 296177252 /nfs/dbraw/zinc/17/72/52/296177252.db2.gz NPSVJZZTUCYHLJ-BMFZPTHFSA-N 2 1 312.417 2.729 20 0 DFADMP CC(=O)c1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000420339456 296177468 /nfs/dbraw/zinc/17/74/68/296177468.db2.gz LSKSMVVRMDVRBK-SJORKVTESA-N 2 1 316.445 2.590 20 0 DFADMP c1ccc2c(c1)cccc2CCC[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000420345615 296178000 /nfs/dbraw/zinc/17/80/00/296178000.db2.gz ATEFTGJEKPUKIC-FQEVSTJZSA-N 2 1 323.484 2.752 20 0 DFADMP FC(F)n1c2ccccc2nc1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420347130 296178465 /nfs/dbraw/zinc/17/84/65/296178465.db2.gz XNZKXUPZZFJQAU-BETUJISGSA-N 2 1 320.387 2.863 20 0 DFADMP [NH3+]C[C@H]([NH2+]CCCOc1ccc2c(c1)OCO2)C1CCCCC1 ZINC000420355607 296179102 /nfs/dbraw/zinc/17/91/02/296179102.db2.gz CCNALTXHEIXRSD-INIZCTEOSA-N 2 1 320.433 2.681 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@@H+](C)C[C@H](C)c2nccs2)cc1 ZINC000420354740 296179126 /nfs/dbraw/zinc/17/91/26/296179126.db2.gz DFDRADMGTYDFBB-DZGCQCFKSA-N 2 1 319.474 2.930 20 0 DFADMP COc1cccc(NC(=O)CC[NH2+][C@@H](C[NH3+])C2CCCCC2)c1 ZINC000420365777 296180822 /nfs/dbraw/zinc/18/08/22/296180822.db2.gz LONQCACXJHUDBA-KRWDZBQOSA-N 2 1 319.449 2.521 20 0 DFADMP C[C@@H]1CC[NH2+][C@@H](C)[C@H]1[NH2+]CCC(=O)Nc1cccc(Cl)c1 ZINC000420367225 296181062 /nfs/dbraw/zinc/18/10/62/296181062.db2.gz MVBCUTPROQGNQW-WQGACYEGSA-N 2 1 309.841 2.645 20 0 DFADMP CC(C)CNC(=O)c1cccc(C[NH2+][C@H]2CC[NH2+]CC2(C)C)c1 ZINC000420366465 296181185 /nfs/dbraw/zinc/18/11/85/296181185.db2.gz RDKKMWYBDWREOW-KRWDZBQOSA-N 2 1 317.477 2.550 20 0 DFADMP CC[C@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420372323 296181937 /nfs/dbraw/zinc/18/19/37/296181937.db2.gz FCQXDBCJFNOWHD-IAGOWNOFSA-N 2 1 317.412 2.664 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420373724 296182309 /nfs/dbraw/zinc/18/23/09/296182309.db2.gz NDFQCNNBBIEGFM-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc1 ZINC000420373724 296182310 /nfs/dbraw/zinc/18/23/10/296182310.db2.gz NDFQCNNBBIEGFM-IBGZPJMESA-N 2 1 318.461 2.930 20 0 DFADMP C[C@H]([NH3+])CN1CC[NH+](CCc2ccc(Cl)c(Cl)c2)CC1 ZINC000420380956 296183664 /nfs/dbraw/zinc/18/36/64/296183664.db2.gz XDIUTPDROOGRCC-LBPRGKRZSA-N 2 1 316.276 2.501 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420388644 296184775 /nfs/dbraw/zinc/18/47/75/296184775.db2.gz XEVLPSPLCLUOKA-WBMJQRKESA-N 2 1 319.840 2.788 20 0 DFADMP C[C@@H](c1cccc(Cl)c1)[N@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1 ZINC000420385694 296184420 /nfs/dbraw/zinc/18/44/20/296184420.db2.gz UEKKACCJSIYDRJ-LRDDRELGSA-N 2 1 319.840 2.788 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342090722 284324591 /nfs/dbraw/zinc/32/45/91/284324591.db2.gz BUIFPUKSJUCGIK-XQHKEYJVSA-N 2 1 318.446 2.918 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342090722 284324595 /nfs/dbraw/zinc/32/45/95/284324595.db2.gz BUIFPUKSJUCGIK-XQHKEYJVSA-N 2 1 318.446 2.918 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342107996 284325919 /nfs/dbraw/zinc/32/59/19/284325919.db2.gz QHDMKWZTTRLUEL-UGQVUOCMSA-N 2 1 319.424 2.520 20 0 DFADMP Cc1ccc(F)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342107996 284325921 /nfs/dbraw/zinc/32/59/21/284325921.db2.gz QHDMKWZTTRLUEL-UGQVUOCMSA-N 2 1 319.424 2.520 20 0 DFADMP CCN(C(=O)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420397152 296185643 /nfs/dbraw/zinc/18/56/43/296185643.db2.gz MOUGCYZIAZKKRY-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CCN(C(=O)C[N@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420397152 296185645 /nfs/dbraw/zinc/18/56/45/296185645.db2.gz MOUGCYZIAZKKRY-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP CCN(C(=O)C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420397150 296185723 /nfs/dbraw/zinc/18/57/23/296185723.db2.gz MOUGCYZIAZKKRY-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CCN(C(=O)C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)C1CCCCC1 ZINC000420397150 296185725 /nfs/dbraw/zinc/18/57/25/296185725.db2.gz MOUGCYZIAZKKRY-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000420399696 296186176 /nfs/dbraw/zinc/18/61/76/296186176.db2.gz ODGRPUJTTIJQTP-HIFRSBDPSA-N 2 1 322.474 2.807 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c(C)s1 ZINC000420399696 296186178 /nfs/dbraw/zinc/18/61/78/296186178.db2.gz ODGRPUJTTIJQTP-HIFRSBDPSA-N 2 1 322.474 2.807 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](C(=O)OC(C)(C)C)C2CCC2)CC[N@H+]1C ZINC000596118556 399179782 /nfs/dbraw/zinc/17/97/82/399179782.db2.gz ZXNRMHBDBYTJLE-BMFZPTHFSA-N 2 1 310.482 2.817 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[N@@H+](C)C(C)C ZINC000282762476 217233236 /nfs/dbraw/zinc/23/32/36/217233236.db2.gz WADVWHDDNCKZCS-UHFFFAOYSA-N 2 1 315.465 2.704 20 0 DFADMP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]CCC[N@H+](C)C(C)C ZINC000282762476 217233238 /nfs/dbraw/zinc/23/32/38/217233238.db2.gz WADVWHDDNCKZCS-UHFFFAOYSA-N 2 1 315.465 2.704 20 0 DFADMP OCc1ccc(C[N@@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000282762749 217233438 /nfs/dbraw/zinc/23/34/38/217233438.db2.gz OZDSIWSIIMODHF-CQSZACIVSA-N 2 1 315.417 2.684 20 0 DFADMP OCc1ccc(C[N@H+]2CCC[C@@H](c3[nH+]cc4n3CCCC4)C2)o1 ZINC000282762749 217233442 /nfs/dbraw/zinc/23/34/42/217233442.db2.gz OZDSIWSIIMODHF-CQSZACIVSA-N 2 1 315.417 2.684 20 0 DFADMP CCOc1ccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)cc1 ZINC000271694852 209133779 /nfs/dbraw/zinc/13/37/79/209133779.db2.gz MLDUOPFNSCPUIR-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000373013126 284345881 /nfs/dbraw/zinc/34/58/81/284345881.db2.gz HQSVBMCDQKYUMT-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000373013126 284345884 /nfs/dbraw/zinc/34/58/84/284345884.db2.gz HQSVBMCDQKYUMT-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000373013126 284345887 /nfs/dbraw/zinc/34/58/87/284345887.db2.gz HQSVBMCDQKYUMT-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP Clc1cc(Cl)cc(OCC[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000607727254 399189462 /nfs/dbraw/zinc/18/94/62/399189462.db2.gz SJBJEXDEXKSFEB-GHMZBOCLSA-N 2 1 301.217 2.523 20 0 DFADMP Cc1cnc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000266152965 205141833 /nfs/dbraw/zinc/14/18/33/205141833.db2.gz KZXKPLKXEQOWOO-UHFFFAOYSA-N 2 1 305.447 2.682 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[NH+](C2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000618660375 399200332 /nfs/dbraw/zinc/20/03/32/399200332.db2.gz JMZMHYQAMXCHFN-VVLHAWIVSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000618660375 399200333 /nfs/dbraw/zinc/20/03/33/399200333.db2.gz JMZMHYQAMXCHFN-VVLHAWIVSA-N 2 1 321.509 2.771 20 0 DFADMP C[C@@H](C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000618660375 399200337 /nfs/dbraw/zinc/20/03/37/399200337.db2.gz JMZMHYQAMXCHFN-VVLHAWIVSA-N 2 1 321.509 2.771 20 0 DFADMP CCC1CC([NH2+]Cc2ccccc2C[N@H+]2CCC[C@H]2CO)C1 ZINC000342586783 284372128 /nfs/dbraw/zinc/37/21/28/284372128.db2.gz AXJFOJJNRPAVRQ-PPSBMQLTSA-N 2 1 302.462 2.922 20 0 DFADMP CC(C[NH+](C)CC[C@@H]1CCCO1)C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000342607939 284379268 /nfs/dbraw/zinc/37/92/68/284379268.db2.gz RXWBECQQXYLWGV-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP C[N@H+]1CC[C@H](C(=O)Nc2ccccc2-c2ncc3n2CCCC3)C1 ZINC000614353915 399215835 /nfs/dbraw/zinc/21/58/35/399215835.db2.gz PPTQEZXEFJQVAD-AWEZNQCLSA-N 2 1 324.428 2.777 20 0 DFADMP Cc1cc(CNC(=O)NC[C@H](C)[N@H+]2CCCC[C@H]2C)cc(C)n1 ZINC000420789128 296202163 /nfs/dbraw/zinc/20/21/63/296202163.db2.gz DLCDEPDANZMBCB-CVEARBPZSA-N 2 1 318.465 2.761 20 0 DFADMP CC(C)[NH+]1CCC(C(=O)NCCCC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000081257285 399220175 /nfs/dbraw/zinc/22/01/75/399220175.db2.gz RGVVCNFOEPUVBF-KRWDZBQOSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420903533 296210245 /nfs/dbraw/zinc/21/02/45/296210245.db2.gz OJTNIEHAHWMSDG-CALCHBBNSA-N 2 1 302.462 2.997 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000420903533 296210247 /nfs/dbraw/zinc/21/02/47/296210247.db2.gz OJTNIEHAHWMSDG-CALCHBBNSA-N 2 1 302.462 2.997 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000420921736 296212507 /nfs/dbraw/zinc/21/25/07/296212507.db2.gz MIUKPFKBJRTJPG-MOPGFXCFSA-N 2 1 300.446 2.893 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@H]2CCC[C@@H]21 ZINC000420921736 296212508 /nfs/dbraw/zinc/21/25/08/296212508.db2.gz MIUKPFKBJRTJPG-MOPGFXCFSA-N 2 1 300.446 2.893 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000420969785 296219499 /nfs/dbraw/zinc/21/94/99/296219499.db2.gz YRDGHUHPOBEALE-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(C[NH+]3CCOCC3)cc2)CCCO1 ZINC000420969785 296219500 /nfs/dbraw/zinc/21/95/00/296219500.db2.gz YRDGHUHPOBEALE-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CCOC(=O)C1(C)CC([NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)C1 ZINC000601275764 399268611 /nfs/dbraw/zinc/26/86/11/399268611.db2.gz DUKZQJWHBZPRDM-RXDZZFBJSA-N 2 1 322.493 2.961 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOCc2ccc(OC)cc2)C1 ZINC000608507951 399273161 /nfs/dbraw/zinc/27/31/61/399273161.db2.gz HRHWADCQQHQZJS-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOCc2ccc(OC)cc2)C1 ZINC000608507951 399273163 /nfs/dbraw/zinc/27/31/63/399273163.db2.gz HRHWADCQQHQZJS-SFHVURJKSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](CC)CCCCNC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000264953493 284584257 /nfs/dbraw/zinc/58/42/57/284584257.db2.gz YJZBOSPHANOFCU-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP OC1(CCC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000421364975 296248722 /nfs/dbraw/zinc/24/87/22/296248722.db2.gz AFNOZJLIQBKJLM-UHFFFAOYSA-N 2 1 316.489 2.978 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](Cc3occc3C)CC2)CC1 ZINC000421366676 296249034 /nfs/dbraw/zinc/24/90/34/296249034.db2.gz DBZOLKHLEBHPMW-UHFFFAOYSA-N 2 1 305.466 2.580 20 0 DFADMP C[N@H+](Cc1cc(Br)cs1)CC1CC[NH2+]CC1 ZINC000042402352 183264309 /nfs/dbraw/zinc/26/43/09/183264309.db2.gz RLGFOGLMJSXGQE-UHFFFAOYSA-N 2 1 303.269 2.942 20 0 DFADMP CCCOc1c(C[NH2+]CCc2c[nH+]cn2C)cccc1OCC ZINC000623086920 399324823 /nfs/dbraw/zinc/32/48/23/399324823.db2.gz RRUREMSOQJWENN-UHFFFAOYSA-N 2 1 317.433 2.940 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000609799356 399331900 /nfs/dbraw/zinc/33/19/00/399331900.db2.gz YQGYHMCWYAMWPZ-MRXNPFEDSA-N 2 1 307.438 2.952 20 0 DFADMP CC[NH+]1CCC([NH2+]C2CCC(O)(c3ccccc3)CC2)CC1 ZINC000274088399 211342869 /nfs/dbraw/zinc/34/28/69/211342869.db2.gz WWGYIEVWFGAYGO-UHFFFAOYSA-N 2 1 302.462 2.891 20 0 DFADMP CC[NH+]1CCC([NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623341300 399366390 /nfs/dbraw/zinc/36/63/90/399366390.db2.gz WKPCIDFKVLXILG-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@@H](c2ccco2)[NH+]2CCCC2)CC1(C)C ZINC000623336807 399365351 /nfs/dbraw/zinc/36/53/51/399365351.db2.gz GBZMXSQMQSJOOX-HOTGVXAUSA-N 2 1 305.466 2.879 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCN2CCc3ccccc32)CC1(C)C ZINC000623346777 399367991 /nfs/dbraw/zinc/36/79/91/399367991.db2.gz BXHLEJFVNHRZKR-KRWDZBQOSA-N 2 1 301.478 2.902 20 0 DFADMP COCC[N@H+](C)CCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623357061 399371018 /nfs/dbraw/zinc/37/10/18/399371018.db2.gz YIRIOWVMCSSGAG-UHFFFAOYSA-N 2 1 310.385 2.825 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]Cc1ccsc1C(F)(F)F ZINC000623357061 399371021 /nfs/dbraw/zinc/37/10/21/399371021.db2.gz YIRIOWVMCSSGAG-UHFFFAOYSA-N 2 1 310.385 2.825 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363186 399372641 /nfs/dbraw/zinc/37/26/41/399372641.db2.gz FBEAKYVIFVHKHT-IAGOWNOFSA-N 2 1 307.457 2.891 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363186 399372643 /nfs/dbraw/zinc/37/26/43/399372643.db2.gz FBEAKYVIFVHKHT-IAGOWNOFSA-N 2 1 307.457 2.891 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc(F)cc1 ZINC000623363186 399372645 /nfs/dbraw/zinc/37/26/45/399372645.db2.gz FBEAKYVIFVHKHT-IAGOWNOFSA-N 2 1 307.457 2.891 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNCc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384132 399377193 /nfs/dbraw/zinc/37/71/93/399377193.db2.gz PWOPMXLURGXVOO-CYBMUJFWSA-N 2 1 311.420 2.851 20 0 DFADMP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384132 399377195 /nfs/dbraw/zinc/37/71/95/399377195.db2.gz PWOPMXLURGXVOO-CYBMUJFWSA-N 2 1 311.420 2.851 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2ccc(F)c(F)c2N(C)C)C1 ZINC000623384132 399377198 /nfs/dbraw/zinc/37/71/98/399377198.db2.gz PWOPMXLURGXVOO-CYBMUJFWSA-N 2 1 311.420 2.851 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000610542801 399379842 /nfs/dbraw/zinc/37/98/42/399379842.db2.gz ZUKNZLGILMKLLN-CQSZACIVSA-N 2 1 317.389 2.662 20 0 DFADMP CCc1oc(C(=O)OC)cc1CN1CCC[C@@H](n2ccnc2)C1 ZINC000610542801 399379846 /nfs/dbraw/zinc/37/98/46/399379846.db2.gz ZUKNZLGILMKLLN-CQSZACIVSA-N 2 1 317.389 2.662 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000106388519 194205504 /nfs/dbraw/zinc/20/55/04/194205504.db2.gz VUAQBQCNCLHRDR-UHFFFAOYSA-N 2 1 307.413 2.570 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)CC1 ZINC000106388519 194205506 /nfs/dbraw/zinc/20/55/06/194205506.db2.gz VUAQBQCNCLHRDR-UHFFFAOYSA-N 2 1 307.413 2.570 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(F)c(F)c1N(C)C ZINC000623402718 399381368 /nfs/dbraw/zinc/38/13/68/399381368.db2.gz WXMVPDMIDZLGHD-GFCCVEGCSA-N 2 1 322.403 2.962 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCCN(C(=O)C2CCC2)C2CC2)CC1(C)C ZINC000623410932 399382940 /nfs/dbraw/zinc/38/29/40/399382940.db2.gz MKACKZMJGLFOPW-INIZCTEOSA-N 2 1 321.509 2.630 20 0 DFADMP COc1cccc2c1OCC[C@@H]2N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623418503 399384732 /nfs/dbraw/zinc/38/47/32/399384732.db2.gz SOJFYDMTJDFQHW-HIFRSBDPSA-N 2 1 304.434 2.981 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421715 399385922 /nfs/dbraw/zinc/38/59/22/399385922.db2.gz XLCIKELKUYKJRR-CVEARBPZSA-N 2 1 315.461 2.534 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1cccc(F)c1Br ZINC000285242947 218347943 /nfs/dbraw/zinc/34/79/43/218347943.db2.gz RHXOEZZXOUMURC-UHFFFAOYSA-N 2 1 312.186 2.883 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1CCCc2[nH+]ccn21)CC(C)C ZINC000354821698 284820512 /nfs/dbraw/zinc/82/05/12/284820512.db2.gz OBPNSZKUQBQURG-HOTGVXAUSA-N 2 1 320.481 2.633 20 0 DFADMP CC[NH+](CC)CCN[C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000268710198 206916001 /nfs/dbraw/zinc/91/60/01/206916001.db2.gz JXAQUJFICIVBID-INIZCTEOSA-N 2 1 307.482 2.619 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000052209217 183853673 /nfs/dbraw/zinc/85/36/73/183853673.db2.gz VCBLGOQZEPPEJJ-KRWDZBQOSA-N 2 1 314.514 2.606 20 0 DFADMP CC[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1 ZINC000268838677 207002560 /nfs/dbraw/zinc/00/25/60/207002560.db2.gz TVAOMCXPVYFVCF-JKSUJKDBSA-N 2 1 317.477 2.598 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)ccc1OC ZINC000422559459 296312372 /nfs/dbraw/zinc/31/23/72/296312372.db2.gz DBWFFTIUZRXCDG-FMKPAKJESA-N 2 1 306.450 2.899 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc([S@](C)=O)cc1 ZINC000268843191 207009006 /nfs/dbraw/zinc/00/90/06/207009006.db2.gz IJSRVEJAKMDRSK-ASSNKEHSSA-N 2 1 305.447 2.670 20 0 DFADMP COCCOc1cccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c1 ZINC000422560473 296312645 /nfs/dbraw/zinc/31/26/45/296312645.db2.gz GWSBQAVZTIRJTN-INMHGKMJSA-N 2 1 306.450 2.517 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000268855214 207022938 /nfs/dbraw/zinc/02/29/38/207022938.db2.gz QPYPLMAFLIDSLF-LPHOPBHVSA-N 2 1 318.461 2.509 20 0 DFADMP Cc1ccc(C[C@H]([NH2+]CCC[NH+]2CCC(O)CC2)C2CC2)cc1 ZINC000268852216 207019699 /nfs/dbraw/zinc/01/96/99/207019699.db2.gz PWCURGUTJRPDFA-FQEVSTJZSA-N 2 1 316.489 2.753 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)C(C)(C)c1ccccc1 ZINC000268885531 207056132 /nfs/dbraw/zinc/05/61/32/207056132.db2.gz YTFCSUOHHDPXNC-INIZCTEOSA-N 2 1 304.478 2.789 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)ccc1Cl ZINC000623499155 399402465 /nfs/dbraw/zinc/40/24/65/399402465.db2.gz XNXUGXGQQZXCAG-ZDUSSCGKSA-N 2 1 305.809 2.897 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422640029 296317110 /nfs/dbraw/zinc/31/71/10/296317110.db2.gz UNYNRRNFOUTDJM-NFAWXSAZSA-N 2 1 321.440 2.768 20 0 DFADMP CSc1ccccc1NC(=O)CC[NH+]1CCC2(CC[NH2+]2)CC1 ZINC000422638326 296317161 /nfs/dbraw/zinc/31/71/61/296317161.db2.gz QCCTUDHZUVZOKS-UHFFFAOYSA-N 2 1 319.474 2.565 20 0 DFADMP CC(C)(CCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268914062 207080821 /nfs/dbraw/zinc/08/08/21/207080821.db2.gz IILSIKQKGCUJSD-UHFFFAOYSA-N 2 1 304.478 2.692 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)cc1 ZINC000268915096 207083369 /nfs/dbraw/zinc/08/33/69/207083369.db2.gz ZZAKUGOMKKJTNE-OAHLLOKOSA-N 2 1 317.433 2.958 20 0 DFADMP Cc1cccc2oc(CC[NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)nc21 ZINC000268916855 207084010 /nfs/dbraw/zinc/08/40/10/207084010.db2.gz JEAFCGQNSAVOQN-SOUVJXGZSA-N 2 1 301.434 2.997 20 0 DFADMP CCC[C@@](C)(O)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000268926817 207092529 /nfs/dbraw/zinc/09/25/29/207092529.db2.gz YCIGYPKYCLKNES-LJQANCHMSA-N 2 1 304.478 2.834 20 0 DFADMP CCCC[N@@H+](C)CCN[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000422706639 296319479 /nfs/dbraw/zinc/31/94/79/296319479.db2.gz FQLMHVWFMVQQEK-MOPGFXCFSA-N 2 1 319.493 2.810 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714604 296320469 /nfs/dbraw/zinc/32/04/69/296320469.db2.gz LFXUVNXCJZVJFC-RLLQIKCJSA-N 3 1 315.505 2.529 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714604 296320470 /nfs/dbraw/zinc/32/04/70/296320470.db2.gz LFXUVNXCJZVJFC-RLLQIKCJSA-N 2 1 315.505 2.529 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1NC[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714604 296320471 /nfs/dbraw/zinc/32/04/71/296320471.db2.gz LFXUVNXCJZVJFC-RLLQIKCJSA-N 2 1 315.505 2.529 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1cccc2F ZINC000268945610 207110617 /nfs/dbraw/zinc/11/06/17/207110617.db2.gz UFJCFLJSJMUZNQ-KBXCAEBGSA-N 2 1 306.425 2.640 20 0 DFADMP CN(CC[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)CC(F)(F)F ZINC000422711063 296319965 /nfs/dbraw/zinc/31/99/65/296319965.db2.gz MEVBTWHWYKSKDT-GJZGRUSLSA-N 2 1 315.383 2.563 20 0 DFADMP Cc1cc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc(N2CCCC2)n1 ZINC000623527992 399409152 /nfs/dbraw/zinc/40/91/52/399409152.db2.gz SIEVRLCQUGKNAS-KRWDZBQOSA-N 2 1 316.493 2.953 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc(N2CCCC2)n1 ZINC000623527992 399409156 /nfs/dbraw/zinc/40/91/56/399409156.db2.gz SIEVRLCQUGKNAS-KRWDZBQOSA-N 2 1 316.493 2.953 20 0 DFADMP C[N@H+]1CC[C@H](N[C@H]2c3sccc3OC(C)(C)[C@@H]2O)CC1(C)C ZINC000623547052 399413059 /nfs/dbraw/zinc/41/30/59/399413059.db2.gz FTXFIPQPUXKLCD-CORIIIEPSA-N 2 1 324.490 2.784 20 0 DFADMP c1cc([C@@H]2OCC[C@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)n[nH]1 ZINC000623581932 399421717 /nfs/dbraw/zinc/42/17/17/399421717.db2.gz TWTKLMSNBPNNLH-SJLPKXTDSA-N 2 1 318.465 2.626 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3ccncc3)CC2)cc1 ZINC000268980924 207141402 /nfs/dbraw/zinc/14/14/02/207141402.db2.gz CLEDLYSVVVTBNI-UHFFFAOYSA-N 2 1 309.457 2.921 20 0 DFADMP CCOC(=O)CCC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000610997834 399426958 /nfs/dbraw/zinc/42/69/58/399426958.db2.gz KBEUVUNRXZBOHS-KRWDZBQOSA-N 2 1 310.482 2.916 20 0 DFADMP C[C@H](CC[NH+](C)C)N[C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012515 207164439 /nfs/dbraw/zinc/16/44/39/207164439.db2.gz NTUHRLLWBFDWLS-CVEARBPZSA-N 2 1 307.482 2.618 20 0 DFADMP C[C@H](CCN(C)C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000269012515 207164442 /nfs/dbraw/zinc/16/44/42/207164442.db2.gz NTUHRLLWBFDWLS-CVEARBPZSA-N 2 1 307.482 2.618 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](C[C@@H](C)O)c2ccccc2)[C@H](C)C1 ZINC000269021724 207174120 /nfs/dbraw/zinc/17/41/20/207174120.db2.gz QDBOIBFUTJFNKQ-FPAYPSAMSA-N 2 1 304.478 2.861 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@H]3CCCC[N@H+](C)C3)c1)O[C@@H](C)C2 ZINC000623655628 399435512 /nfs/dbraw/zinc/43/55/12/399435512.db2.gz APENYFXFZMPBAI-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP COc1cc2c(c(C[NH2+]C[C@H]3CCCC[N@@H+](C)C3)c1)O[C@@H](C)C2 ZINC000623655628 399435515 /nfs/dbraw/zinc/43/55/15/399435515.db2.gz APENYFXFZMPBAI-LSDHHAIUSA-N 2 1 318.461 2.840 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[NH2+]C[C@@H]2CCCC[N@@H+](C)C2)o1 ZINC000623656821 399437062 /nfs/dbraw/zinc/43/70/62/399437062.db2.gz CPHAVEWISYNDTF-HNNXBMFYSA-N 2 1 316.449 2.810 20 0 DFADMP O=c1[nH]cccc1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000623777907 399463862 /nfs/dbraw/zinc/46/38/62/399463862.db2.gz WNHDRGPVBSCIBQ-UHFFFAOYSA-N 2 1 311.429 2.584 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2csc(Br)c2)CC1 ZINC000063165757 184275351 /nfs/dbraw/zinc/27/53/51/184275351.db2.gz CMFZEZIAZIGPGX-UHFFFAOYSA-N 2 1 303.269 2.942 20 0 DFADMP CCOC(=O)c1ccc(C[NH2+]CCCC[N@H+]2CCC[C@@H](C)C2)[nH]1 ZINC000602513261 399465022 /nfs/dbraw/zinc/46/50/22/399465022.db2.gz FJOJKIAVLPIMFQ-OAHLLOKOSA-N 2 1 321.465 2.793 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCC[NH+](Cc2ccccc2)CC1 ZINC000269138194 207267208 /nfs/dbraw/zinc/26/72/08/207267208.db2.gz XKFFKVKODPENBM-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1CCC[N@H+](Cc2ccccc2)CC1 ZINC000269138194 207267211 /nfs/dbraw/zinc/26/72/11/207267211.db2.gz XKFFKVKODPENBM-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP C[NH+]1CCC[C@H]1CCN1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000269138194 207267215 /nfs/dbraw/zinc/26/72/15/207267215.db2.gz XKFFKVKODPENBM-IBGZPJMESA-N 2 1 301.478 2.679 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH+]1CCC([NH3+])CC1 ZINC000346691332 284926991 /nfs/dbraw/zinc/92/69/91/284926991.db2.gz WALGFBJZOYALSV-UHFFFAOYSA-N 2 1 302.397 2.551 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC(C)(C)C[NH3+])cc1 ZINC000269186160 207305207 /nfs/dbraw/zinc/30/52/07/207305207.db2.gz FNEZEMRGQYLBMJ-UHFFFAOYSA-N 2 1 319.493 2.975 20 0 DFADMP C[C@@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000422734372 296323569 /nfs/dbraw/zinc/32/35/69/296323569.db2.gz CQNYNUHPGGPHCA-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1OCC(F)(F)F)[C@H]1CC[NH2+]C1 ZINC000422737193 296324066 /nfs/dbraw/zinc/32/40/66/296324066.db2.gz ZCHZZCMSBYDWHY-NEPJUHHUSA-N 2 1 302.340 2.715 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738366 296324130 /nfs/dbraw/zinc/32/41/30/296324130.db2.gz JOUZQFDAHHQXDH-FPAYPSAMSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738366 296324131 /nfs/dbraw/zinc/32/41/31/296324131.db2.gz JOUZQFDAHHQXDH-FPAYPSAMSA-N 2 1 301.478 2.800 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000269223770 207342748 /nfs/dbraw/zinc/34/27/48/207342748.db2.gz CAINUYZNYVHDNX-RHSMWYFYSA-N 2 1 303.450 2.983 20 0 DFADMP CC[C@H](N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[C@@H]1CCC[NH2+]1 ZINC000422745662 296325294 /nfs/dbraw/zinc/32/52/94/296325294.db2.gz VKMFMCAWJTWHQW-YSHGAJCASA-N 2 1 301.478 2.942 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@H]2CCC[C@@H]2C[NH3+])N2CCCC2)c1 ZINC000422751077 296326555 /nfs/dbraw/zinc/32/65/55/296326555.db2.gz CCHKZRXMGJJIRR-NEWSRXKRSA-N 2 1 317.477 2.549 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]C[C@H]3COc4ccccc4O3)CC[NH2+]2)cc1 ZINC000422752304 296326915 /nfs/dbraw/zinc/32/69/15/296326915.db2.gz DRYAGLMBBAITQE-SQNIBIBYSA-N 2 1 324.424 2.909 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@H+]1CCCC[C@@H]1C ZINC000422756842 296327797 /nfs/dbraw/zinc/32/77/97/296327797.db2.gz CMGAEQGCBIRUQN-LSDHHAIUSA-N 2 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@@H+]1CCCC[C@@H]1C ZINC000422756842 296327798 /nfs/dbraw/zinc/32/77/98/296327798.db2.gz CMGAEQGCBIRUQN-LSDHHAIUSA-N 3 1 304.482 2.764 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@H+]1CCCC[C@@H]1C ZINC000422756842 296327799 /nfs/dbraw/zinc/32/77/99/296327799.db2.gz CMGAEQGCBIRUQN-LSDHHAIUSA-N 3 1 304.482 2.764 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCc2ccccc2C1)[C@@H]1CCCCO1 ZINC000623855661 399480286 /nfs/dbraw/zinc/48/02/86/399480286.db2.gz FBNVOOGGCNQAAN-APWZRJJASA-N 2 1 302.462 2.982 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCCO1 ZINC000623855661 399480290 /nfs/dbraw/zinc/48/02/90/399480290.db2.gz FBNVOOGGCNQAAN-APWZRJJASA-N 2 1 302.462 2.982 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000422764488 296329189 /nfs/dbraw/zinc/32/91/89/296329189.db2.gz PSWZFVHZYONDME-ZNMIVQPWSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[N@H+]1CCC[C@H](C)C1 ZINC000422764488 296329191 /nfs/dbraw/zinc/32/91/91/296329191.db2.gz PSWZFVHZYONDME-ZNMIVQPWSA-N 2 1 304.482 2.620 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422765214 296329201 /nfs/dbraw/zinc/32/92/01/296329201.db2.gz QPVIBZJZOCWMKP-DJIMGWMZSA-N 2 1 305.441 2.833 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422765223 296329321 /nfs/dbraw/zinc/32/93/21/296329321.db2.gz QPVIBZJZOCWMKP-XIRDDKMYSA-N 2 1 305.441 2.833 20 0 DFADMP CC[C@@H]([NH2+]CCc1cc(OC)ccc1OC)[C@@H]1CCCC[NH2+]1 ZINC000422770729 296330335 /nfs/dbraw/zinc/33/03/35/296330335.db2.gz XBONOAITORNRIL-SJORKVTESA-N 2 1 306.450 2.757 20 0 DFADMP CC[C@H]([NH2+]C[C@@H](C)Oc1ccc(OC)cc1)[C@@H]1CCCC[NH2+]1 ZINC000422781527 296332058 /nfs/dbraw/zinc/33/20/58/296332058.db2.gz FFBLHKRYVIGTDM-JLSDUUJJSA-N 2 1 306.450 2.973 20 0 DFADMP CC[NH+]1CCC(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)N)CC1 ZINC000422786029 296332673 /nfs/dbraw/zinc/33/26/73/296332673.db2.gz NZVZSIFBEQAMIF-APWZRJJASA-N 2 1 303.494 2.657 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+]CCCOC[C@H]3CCOC3)CC[NH2+]2)cc1 ZINC000422788706 296332919 /nfs/dbraw/zinc/33/29/19/296332919.db2.gz STTVIWNBYJXWMM-QRQLOZEOSA-N 2 1 318.461 2.513 20 0 DFADMP COC(=O)c1csc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)c1 ZINC000602629405 399495672 /nfs/dbraw/zinc/49/56/72/399495672.db2.gz GGSGQZIQSZOONP-UHFFFAOYSA-N 2 1 310.463 2.746 20 0 DFADMP C(C1CCCC1)[N@H+]1CC[C@H](N[C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422798942 296335195 /nfs/dbraw/zinc/33/51/95/296335195.db2.gz UIXDGXVCTWYQLP-INDMIFKZSA-N 2 1 305.510 2.761 20 0 DFADMP COC(=O)[C@@H](C1CC1)[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000611660022 399502662 /nfs/dbraw/zinc/50/26/62/399502662.db2.gz ISRUFBBDACOZMF-QGZVFWFLSA-N 2 1 308.466 2.526 20 0 DFADMP CC[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422804610 296336465 /nfs/dbraw/zinc/33/64/65/296336465.db2.gz HTHJFFILEWENJB-MOPGFXCFSA-N 2 1 301.478 2.555 20 0 DFADMP CC[C@H](CN[C@@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422805821 296336170 /nfs/dbraw/zinc/33/61/70/296336170.db2.gz JQUSAWRZWHSDMF-RTBURBONSA-N 2 1 301.478 2.555 20 0 DFADMP CC[C@H](CN[C@@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422805821 296336171 /nfs/dbraw/zinc/33/61/71/296336171.db2.gz JQUSAWRZWHSDMF-RTBURBONSA-N 2 1 301.478 2.555 20 0 DFADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841713 399506262 /nfs/dbraw/zinc/50/62/62/399506262.db2.gz OTRBOQIHKFEPSB-NQBHXWOUSA-N 2 1 320.824 2.978 20 0 DFADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631841713 399506266 /nfs/dbraw/zinc/50/62/66/399506266.db2.gz OTRBOQIHKFEPSB-NQBHXWOUSA-N 2 1 320.824 2.978 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000422820846 296339294 /nfs/dbraw/zinc/33/92/94/296339294.db2.gz SOHOKRNVBPAMNH-HOTGVXAUSA-N 2 1 309.498 2.678 20 0 DFADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841715 399506943 /nfs/dbraw/zinc/50/69/43/399506943.db2.gz OTRBOQIHKFEPSB-WZRBSPASSA-N 2 1 320.824 2.978 20 0 DFADMP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631841715 399506946 /nfs/dbraw/zinc/50/69/46/399506946.db2.gz OTRBOQIHKFEPSB-WZRBSPASSA-N 2 1 320.824 2.978 20 0 DFADMP Clc1ccc2nc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)cn2c1 ZINC000422816008 296338454 /nfs/dbraw/zinc/33/84/54/296338454.db2.gz CWWHLFYWEINJCK-ARFHVFGLSA-N 2 1 318.852 2.998 20 0 DFADMP CCC[N@@H+](CC)CCN[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422816889 296338649 /nfs/dbraw/zinc/33/86/49/296338649.db2.gz BPASBJLEQWZPEJ-RBUKOAKNSA-N 2 1 319.493 2.810 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@H]1CCC[NH2+]C1 ZINC000347000709 285000963 /nfs/dbraw/zinc/00/09/63/285000963.db2.gz ZUWWIKSEKGRWBL-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000422830740 296340999 /nfs/dbraw/zinc/34/09/99/296340999.db2.gz RQCUNFISHOJWNG-WMLDXEAASA-N 3 1 307.507 2.548 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nccn1CCc1ccccc1 ZINC000422830116 296341232 /nfs/dbraw/zinc/34/12/32/296341232.db2.gz IAGNRXJILFKMTI-ZWKOTPCHSA-N 2 1 312.461 2.733 20 0 DFADMP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1nccn1CCCc1ccccc1 ZINC000422839124 296342401 /nfs/dbraw/zinc/34/24/01/296342401.db2.gz ZGVAHSBXFRLPFX-CVEARBPZSA-N 2 1 300.450 2.731 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000347063613 285008765 /nfs/dbraw/zinc/00/87/65/285008765.db2.gz CDFOKXAACKGFKR-MRXNPFEDSA-N 2 1 306.450 2.771 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(OC)c(OCC(C)C)c2)C1 ZINC000347063613 285008767 /nfs/dbraw/zinc/00/87/67/285008767.db2.gz CDFOKXAACKGFKR-MRXNPFEDSA-N 2 1 306.450 2.771 20 0 DFADMP C[C@@H]([NH2+]CC1(c2ccccc2)CCOCC1)c1c[nH+]ccc1N ZINC000422853277 296345224 /nfs/dbraw/zinc/34/52/24/296345224.db2.gz YTYFIQLCKHVNBE-OAHLLOKOSA-N 2 1 311.429 2.893 20 0 DFADMP Brc1cncc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1 ZINC000167435954 532978718 /nfs/dbraw/zinc/97/87/18/532978718.db2.gz TZPGSACIAWSACE-HNNXBMFYSA-N 2 1 324.266 2.808 20 0 DFADMP CC(=O)Nc1cccc(C[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c1 ZINC000422866316 296347009 /nfs/dbraw/zinc/34/70/09/296347009.db2.gz QEGWQYJFSFOUKI-AUUYWEPGSA-N 2 1 311.429 2.693 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(CN[C@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422868742 296347426 /nfs/dbraw/zinc/34/74/26/296347426.db2.gz VTWLPEVIWCDYSG-MNEFBYGVSA-N 2 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422868742 296347428 /nfs/dbraw/zinc/34/74/28/296347428.db2.gz VTWLPEVIWCDYSG-MNEFBYGVSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3[NH3+])cc2)C1 ZINC000422868742 296347430 /nfs/dbraw/zinc/34/74/30/296347430.db2.gz VTWLPEVIWCDYSG-MNEFBYGVSA-N 3 1 301.478 2.888 20 0 DFADMP CCOCCOCc1cccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])c1 ZINC000422867544 296347525 /nfs/dbraw/zinc/34/75/25/296347525.db2.gz SHDROFAMKOFHPI-MOPGFXCFSA-N 2 1 320.477 2.989 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)c(OC[C@@H]2CCCO2)c1 ZINC000422870809 296347607 /nfs/dbraw/zinc/34/76/07/296347607.db2.gz CHMKAQPYUDGDJP-RYRKJORJSA-N 2 1 318.461 2.640 20 0 DFADMP CCOc1cccc(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1OC(F)F ZINC000422873162 296348389 /nfs/dbraw/zinc/34/83/89/296348389.db2.gz KHVSFDKXHFJRFK-RYUDHWBXSA-N 2 1 314.376 2.774 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422874538 296348428 /nfs/dbraw/zinc/34/84/28/296348428.db2.gz AIBAONOFTUJNFB-QXSJWSMHSA-N 2 1 318.509 2.866 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN1C[C@H](C)C[C@H](C)C1 ZINC000422874538 296348429 /nfs/dbraw/zinc/34/84/29/296348429.db2.gz AIBAONOFTUJNFB-QXSJWSMHSA-N 2 1 318.509 2.866 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CN[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000422874834 296348716 /nfs/dbraw/zinc/34/87/16/296348716.db2.gz DINFTDGXKHFZPP-ATZDWAIDSA-N 2 1 301.478 2.888 20 0 DFADMP Cc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)CC2)c1 ZINC000119621183 195004289 /nfs/dbraw/zinc/00/42/89/195004289.db2.gz FHDGITFLVMSBFQ-YOFSQIOKSA-N 2 1 313.489 2.738 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884340 296350060 /nfs/dbraw/zinc/35/00/60/296350060.db2.gz RWBBFLXSMLQZIR-AJYBTWMASA-N 2 1 317.521 2.903 20 0 DFADMP CC[N@@H+](CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883879 296350084 /nfs/dbraw/zinc/35/00/84/296350084.db2.gz VUXALTNBLLUYTR-MJGOQNOKSA-N 2 1 317.477 2.562 20 0 DFADMP CCN(CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422883879 296350085 /nfs/dbraw/zinc/35/00/85/296350085.db2.gz VUXALTNBLLUYTR-MJGOQNOKSA-N 2 1 317.477 2.562 20 0 DFADMP c1cc(N2CCCCCC2)ncc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000422892134 296351613 /nfs/dbraw/zinc/35/16/13/296351613.db2.gz MIIILKQSSVZTLO-JWTNVVGKSA-N 2 1 314.477 2.835 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]C1[C@@H](C)CN(Cc2ccccc2)C[C@@H]1C ZINC000422886840 296350756 /nfs/dbraw/zinc/35/07/56/296350756.db2.gz JTEASGNFQJQNNW-YESZJQIVSA-N 2 1 303.494 2.860 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]CCc1ccc(OC(F)(F)F)cc1 ZINC000422893934 296351896 /nfs/dbraw/zinc/35/18/96/296351896.db2.gz ROUYIUZGZUPOJY-BXUZGUMPSA-N 2 1 302.340 2.715 20 0 DFADMP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[NH2+]CC[C@H]2C)CC1 ZINC000422897833 296352591 /nfs/dbraw/zinc/35/25/91/296352591.db2.gz KHGZVVDOSZTQCD-YLJYHZDGSA-N 2 1 315.505 2.937 20 0 DFADMP Cc1cccc(NCC[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)n1 ZINC000422924107 296355908 /nfs/dbraw/zinc/35/59/08/296355908.db2.gz XQPYIRXIVWSOHT-ROUUACIJSA-N 2 1 310.445 2.885 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1nc(-c2ccncc2)cs1 ZINC000422910952 296354826 /nfs/dbraw/zinc/35/48/26/296354826.db2.gz JPTGPJSDSUGGBZ-GXTWGEPZSA-N 2 1 302.447 2.998 20 0 DFADMP C[C@@H]([NH2+]CCCc1ccc2c(c1)OCCO2)c1c[nH+]ccc1N ZINC000422928715 296356505 /nfs/dbraw/zinc/35/65/05/296356505.db2.gz MFKCBZBJLFKTKO-CYBMUJFWSA-N 2 1 313.401 2.549 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[N@@H+]1CCc2ccccc2C1 ZINC000422937715 296357879 /nfs/dbraw/zinc/35/78/79/296357879.db2.gz KAARPYWRKMIFTO-SXLOBPIMSA-N 2 1 315.505 2.786 20 0 DFADMP CC(C)[C@H](CN[C@@H]1CCC[C@H]1C[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422937715 296357880 /nfs/dbraw/zinc/35/78/80/296357880.db2.gz KAARPYWRKMIFTO-SXLOBPIMSA-N 2 1 315.505 2.786 20 0 DFADMP CC(C)[C@H](CN[C@H]1CCC[C@@H]1[NH3+])[N@H+]1CCc2ccccc2C1 ZINC000422937659 296358034 /nfs/dbraw/zinc/35/80/34/296358034.db2.gz JQDSGKOALUKEBI-FHWLQOOXSA-N 3 1 301.478 2.539 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CCC[C@@H]1[NH3+])N1CCc2ccccc2C1 ZINC000422937659 296358035 /nfs/dbraw/zinc/35/80/35/296358035.db2.gz JQDSGKOALUKEBI-FHWLQOOXSA-N 3 1 301.478 2.539 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1sccc1Br ZINC000422938240 296358398 /nfs/dbraw/zinc/35/83/98/296358398.db2.gz DJCOVBBHPQTOJY-MWLCHTKSSA-N 2 1 303.269 2.988 20 0 DFADMP CC(C)[C@H](CN[C@@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422947735 296359316 /nfs/dbraw/zinc/35/93/16/296359316.db2.gz YSJOBVSAFFPOLF-DBVUQKKJSA-N 2 1 315.505 2.799 20 0 DFADMP c1ccc(CCOCCC[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887047 399518958 /nfs/dbraw/zinc/51/89/58/399518958.db2.gz LPJZEQWDMZZNJC-RTBURBONSA-N 2 1 302.462 2.710 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887047 399518961 /nfs/dbraw/zinc/51/89/61/399518961.db2.gz LPJZEQWDMZZNJC-RTBURBONSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@H]([NH2+]CCCC(=O)N1CCc2ccccc21)c1c[nH+]ccc1N ZINC000422955368 296360663 /nfs/dbraw/zinc/36/06/63/296360663.db2.gz JCGQZMVNHCJEPW-AWEZNQCLSA-N 2 1 324.428 2.514 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000611782768 399524955 /nfs/dbraw/zinc/52/49/55/399524955.db2.gz AVMBUCJYVZCYLS-JKSUJKDBSA-N 2 1 307.438 2.806 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](n2cc[nH+]c2C)C1 ZINC000611782768 399524966 /nfs/dbraw/zinc/52/49/66/399524966.db2.gz AVMBUCJYVZCYLS-JKSUJKDBSA-N 2 1 307.438 2.806 20 0 DFADMP CC[C@@H]([NH2+]CCNC(=O)c1ccccc1Cl)[C@H]1CCCC[NH2+]1 ZINC000422952892 296360310 /nfs/dbraw/zinc/36/03/10/296360310.db2.gz CNYPHQKGJCTLGH-HZPDHXFCSA-N 2 1 323.868 2.580 20 0 DFADMP Cc1c(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000270040938 208095772 /nfs/dbraw/zinc/09/57/72/208095772.db2.gz CHUWXPZJDGYEKX-HNAYVOBHSA-N 2 1 312.461 2.871 20 0 DFADMP Cc1c(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)cnn1C ZINC000270040938 208095780 /nfs/dbraw/zinc/09/57/80/208095780.db2.gz CHUWXPZJDGYEKX-HNAYVOBHSA-N 2 1 312.461 2.871 20 0 DFADMP Cc1nn(-c2ccccc2)cc1CCC[NH2+][C@H](C)[C@H]1CCC[NH2+]1 ZINC000422961385 296361442 /nfs/dbraw/zinc/36/14/42/296361442.db2.gz BOKCQSHILKPVPB-VQIMIIECSA-N 2 1 312.461 2.843 20 0 DFADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC[C@H]2[NH3+])CC1 ZINC000422968217 296362747 /nfs/dbraw/zinc/36/27/47/296362747.db2.gz QRXKZYQLMJPMOJ-MOPGFXCFSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1ccco1)N1CCCC1)c1c[nH+]ccc1N ZINC000422967126 296362549 /nfs/dbraw/zinc/36/25/49/296362549.db2.gz SLQBRMDYCARGDQ-CJNGLKHVSA-N 2 1 300.406 2.575 20 0 DFADMP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CCC[NH2+]2)n(-c2ccccc2)n1 ZINC000422993782 296364909 /nfs/dbraw/zinc/36/49/09/296364909.db2.gz GFGKAOIPCHOCCQ-ZSZQSSIHSA-N 2 1 312.461 2.842 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000423005114 296366268 /nfs/dbraw/zinc/36/62/68/296366268.db2.gz QTUDHVUEWWFZDY-KBPBESRZSA-N 2 1 302.340 2.735 20 0 DFADMP COc1cc(F)cc(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c1 ZINC000423011272 296367442 /nfs/dbraw/zinc/36/74/42/296367442.db2.gz ATIYYETVYPFOEM-UGSOOPFHSA-N 2 1 302.393 2.882 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423039961 296371078 /nfs/dbraw/zinc/37/10/78/296371078.db2.gz GJBZGGMXINKSCJ-KWVUDZMESA-N 3 1 313.489 2.770 20 0 DFADMP COc1cccc([C@@H]2[C@H](N[C@@H](C)C[C@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000423041748 296370972 /nfs/dbraw/zinc/37/09/72/296370972.db2.gz JQCLQIJPMMINDS-YXUGBTPSSA-N 2 1 317.477 2.688 20 0 DFADMP COc1cccc([C@@H]2[C@H](N[C@@H](C)C[C@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000423041748 296370974 /nfs/dbraw/zinc/37/09/74/296370974.db2.gz JQCLQIJPMMINDS-YXUGBTPSSA-N 2 1 317.477 2.688 20 0 DFADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423039961 296371076 /nfs/dbraw/zinc/37/10/76/296371076.db2.gz GJBZGGMXINKSCJ-KWVUDZMESA-N 2 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423039961 296371077 /nfs/dbraw/zinc/37/10/77/296371077.db2.gz GJBZGGMXINKSCJ-KWVUDZMESA-N 3 1 313.489 2.770 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@H]1CCC[NH2+]1 ZINC000423042885 296371234 /nfs/dbraw/zinc/37/12/34/296371234.db2.gz MNLNRPBCRURTDO-MQIPJXDCSA-N 2 1 311.832 2.788 20 0 DFADMP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423049472 296371894 /nfs/dbraw/zinc/37/18/94/296371894.db2.gz XRYILYJTMLCWTA-RNIPGJKVSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]CCc1cn(C)c2cc(Cl)ccc12 ZINC000423058026 296373313 /nfs/dbraw/zinc/37/33/13/296373313.db2.gz BJADKNZJXNOOKD-BLLLJJGKSA-N 2 1 305.853 2.962 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423064872 296374265 /nfs/dbraw/zinc/37/42/65/296374265.db2.gz SHMVDDHGECCJTF-NZSAHSFTSA-N 2 1 301.478 2.629 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOCC(F)(F)C(F)F)c2ccccc21 ZINC000423069406 296374431 /nfs/dbraw/zinc/37/44/31/296374431.db2.gz BCCLXFIZSYBJPP-NEPJUHHUSA-N 2 1 306.303 2.638 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1nc2cc(Cl)ccc2n1C ZINC000423067410 296374520 /nfs/dbraw/zinc/37/45/20/296374520.db2.gz ZKSKUMHOKUYAAF-DGCLKSJQSA-N 2 1 306.841 2.704 20 0 DFADMP CC[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)[C@@H]1CCC[NH2+]1 ZINC000423063688 296373784 /nfs/dbraw/zinc/37/37/84/296373784.db2.gz XGAOHEUFBZTNRK-ROUUACIJSA-N 2 1 321.896 2.818 20 0 DFADMP CC[C@H](C)N(CC)C(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000616976477 399551910 /nfs/dbraw/zinc/55/19/10/399551910.db2.gz QXNKYKJOEAGCGG-INIZCTEOSA-N 2 1 323.525 2.830 20 0 DFADMP CCC[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1nnc2ccccn21 ZINC000347657818 285116630 /nfs/dbraw/zinc/11/66/30/285116630.db2.gz UXHGZHSEGROQNA-OAHLLOKOSA-N 2 1 312.421 2.755 20 0 DFADMP CC[C@H](NCC[N@H+](CC)CCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423070200 296374925 /nfs/dbraw/zinc/37/49/25/296374925.db2.gz FSNROUOBVVNJIX-KBPBESRZSA-N 2 1 309.420 2.771 20 0 DFADMP CC[C@H](NCC[N@@H+](CC)CCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423070200 296374927 /nfs/dbraw/zinc/37/49/27/296374927.db2.gz FSNROUOBVVNJIX-KBPBESRZSA-N 2 1 309.420 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@]1(Cc2ccc(F)cc2)CCC[C@H]1O)[C@@H]1CCC[NH2+]1 ZINC000423076899 296375611 /nfs/dbraw/zinc/37/56/11/296375611.db2.gz SBHVQSKJWTYARC-WQANXHIZSA-N 2 1 320.452 2.630 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)CCC2 ZINC000423087379 296376731 /nfs/dbraw/zinc/37/67/31/296376731.db2.gz PJOYJQYLZXEFAC-OWYHZJEWSA-N 2 1 318.436 2.950 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000423091306 296377226 /nfs/dbraw/zinc/37/72/26/296377226.db2.gz ZWBJRLJBHHGJHM-BCVKRFQSSA-N 2 1 307.404 2.507 20 0 DFADMP Fc1ccccc1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423095659 296378006 /nfs/dbraw/zinc/37/80/06/296378006.db2.gz MVUXEKIQDSAFKV-KBAYOESNSA-N 2 1 306.425 2.505 20 0 DFADMP Fc1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C3)C2)cc1Br ZINC000423101978 296378530 /nfs/dbraw/zinc/37/85/30/296378530.db2.gz WSYPILDRDVRNTB-SRVKXCTJSA-N 2 1 313.214 2.786 20 0 DFADMP Brc1cncc([C@@H]([NH2+]C2CC[NH2+]CC2)C2CC2)c1 ZINC000423108487 296379411 /nfs/dbraw/zinc/37/94/11/296379411.db2.gz RGKHVGXCEIXIQP-AWEZNQCLSA-N 2 1 310.239 2.637 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC000616997971 399560546 /nfs/dbraw/zinc/56/05/46/399560546.db2.gz DPYXZCMDXBSCLJ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000616997971 399560552 /nfs/dbraw/zinc/56/05/52/399560552.db2.gz DPYXZCMDXBSCLJ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)(C)[NH+]1CC[C@@H](CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000616997971 399560554 /nfs/dbraw/zinc/56/05/54/399560554.db2.gz DPYXZCMDXBSCLJ-DOTOQJQBSA-N 2 1 321.509 2.630 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000423110459 296379715 /nfs/dbraw/zinc/37/97/15/296379715.db2.gz IDZXDHTYLTWVDI-HHXXYDBFSA-N 2 1 310.445 2.880 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+]C[C@H]1CCCC[N@@H+](C)C1)C2 ZINC000624122956 399561403 /nfs/dbraw/zinc/56/14/03/399561403.db2.gz BPPVXAIQJRWRLW-WBVHZDCISA-N 2 1 302.462 2.874 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CN[C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423112936 296379998 /nfs/dbraw/zinc/37/99/98/296379998.db2.gz SVQCTXDVZOTIMN-QYZOEREBSA-N 2 1 301.478 2.944 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119134 296380783 /nfs/dbraw/zinc/38/07/83/296380783.db2.gz BGXKZJYVUUHIOS-AYBZRNKSSA-N 2 1 317.477 2.561 20 0 DFADMP CC(C)N(C)C[C@@H](C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423119134 296380784 /nfs/dbraw/zinc/38/07/84/296380784.db2.gz BGXKZJYVUUHIOS-AYBZRNKSSA-N 2 1 317.477 2.561 20 0 DFADMP FC1(F)CCCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1 ZINC000423121268 296381331 /nfs/dbraw/zinc/38/13/31/296381331.db2.gz ALVQODLPMPDKNV-CAOSSQGBSA-N 2 1 316.436 2.949 20 0 DFADMP CC(C)Oc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423121515 296381220 /nfs/dbraw/zinc/38/12/20/296381220.db2.gz IPNLHDZSFLOSDZ-PKOBYXMFSA-N 2 1 319.493 2.808 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@@H]2C[NH3+])[NH+](C)C)cc1 ZINC000423130831 296382188 /nfs/dbraw/zinc/38/21/88/296382188.db2.gz SFNIUBSAVPSKKH-QRQLOZEOSA-N 2 1 319.493 2.794 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000158541149 197282030 /nfs/dbraw/zinc/28/20/30/197282030.db2.gz NNVNLOFZJCVVNO-VQIMIIECSA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000158541149 197282032 /nfs/dbraw/zinc/28/20/32/197282032.db2.gz NNVNLOFZJCVVNO-VQIMIIECSA-N 2 1 318.461 2.880 20 0 DFADMP CCOc1ccc(OCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000158541149 197282034 /nfs/dbraw/zinc/28/20/34/197282034.db2.gz NNVNLOFZJCVVNO-VQIMIIECSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)c(Cl)c1OC ZINC000423138433 296383415 /nfs/dbraw/zinc/38/34/15/296383415.db2.gz SSCJHJZOZUKCKE-AAEUAGOBSA-N 2 1 312.841 2.630 20 0 DFADMP C[C@@H](CCn1cccn1)[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000158502863 197279301 /nfs/dbraw/zinc/27/93/01/197279301.db2.gz NWVQSBCVXMVCPK-KRWDZBQOSA-N 2 1 312.461 2.916 20 0 DFADMP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000423150470 296385315 /nfs/dbraw/zinc/38/53/15/296385315.db2.gz ZBTSSUNYLCDMAV-BARDWOONSA-N 2 1 302.409 2.559 20 0 DFADMP FC1(F)CCCC[C@@H]1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423150472 296385369 /nfs/dbraw/zinc/38/53/69/296385369.db2.gz ZBTSSUNYLCDMAV-LXTVHRRPSA-N 2 1 302.409 2.559 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CCN[C@@H](c3ccccc3)C2)C1 ZINC000423172992 296387851 /nfs/dbraw/zinc/38/78/51/296387851.db2.gz WJPRCESGBPCOSD-BHIYHBOVSA-N 2 1 301.478 2.801 20 0 DFADMP C[N@@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423172992 296387852 /nfs/dbraw/zinc/38/78/52/296387852.db2.gz WJPRCESGBPCOSD-BHIYHBOVSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423172992 296387854 /nfs/dbraw/zinc/38/78/54/296387854.db2.gz WJPRCESGBPCOSD-BHIYHBOVSA-N 3 1 301.478 2.801 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](CO)c2ccc(F)cc2)c2ccccc21 ZINC000423181647 296389200 /nfs/dbraw/zinc/38/92/00/296389200.db2.gz LHVJBYMECCBQLF-MORSLUCNSA-N 2 1 300.377 2.636 20 0 DFADMP [NH3+]CCCN[C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423177106 296388419 /nfs/dbraw/zinc/38/84/19/296388419.db2.gz AFVJMVURMRWDFT-IPMKNSEASA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]CCC[NH2+][C@@H]1CCCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000423177106 296388421 /nfs/dbraw/zinc/38/84/21/296388421.db2.gz AFVJMVURMRWDFT-IPMKNSEASA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]CCC[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423177106 296388422 /nfs/dbraw/zinc/38/84/22/296388422.db2.gz AFVJMVURMRWDFT-IPMKNSEASA-N 3 1 301.478 2.616 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423179767 296388775 /nfs/dbraw/zinc/38/87/75/296388775.db2.gz KDAAUHFNQOWIHH-BPQIPLTHSA-N 2 1 305.441 2.915 20 0 DFADMP COc1ccc(C[C@H]([NH2+]CC[NH3+])c2ccc(OC)cc2)cc1 ZINC000423179194 296388821 /nfs/dbraw/zinc/38/88/21/296388821.db2.gz JCURSFJAROHTNG-SFHVURJKSA-N 2 1 300.402 2.536 20 0 DFADMP CC(C)O[C@@H]1C[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)C1(C)C ZINC000423182821 296389234 /nfs/dbraw/zinc/38/92/34/296389234.db2.gz FPMPTPPBYWKWTH-DLBZAZTESA-N 2 1 305.466 2.743 20 0 DFADMP C[C@@H]([NH2+]CCC[NH2+]Cc1cccnc1)c1ccc2c(c1)COC2 ZINC000423181833 296389307 /nfs/dbraw/zinc/38/93/07/296389307.db2.gz DCNVCHGYDKGWAB-OAHLLOKOSA-N 2 1 311.429 2.942 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000423182476 296389397 /nfs/dbraw/zinc/38/93/97/296389397.db2.gz DYFHLROQCOQDQS-CEXWTWQISA-N 2 1 317.477 2.746 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000271658018 209101246 /nfs/dbraw/zinc/10/12/46/209101246.db2.gz WVSNWRDWFUJTOO-MJBXVCDLSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)o1 ZINC000271658018 209101251 /nfs/dbraw/zinc/10/12/51/209101251.db2.gz WVSNWRDWFUJTOO-MJBXVCDLSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)o1 ZINC000271658018 209101254 /nfs/dbraw/zinc/10/12/54/209101254.db2.gz WVSNWRDWFUJTOO-MJBXVCDLSA-N 2 1 306.406 2.543 20 0 DFADMP COC(=O)c1ccc([C@H](C)[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)o1 ZINC000271658018 209101258 /nfs/dbraw/zinc/10/12/58/209101258.db2.gz WVSNWRDWFUJTOO-MJBXVCDLSA-N 2 1 306.406 2.543 20 0 DFADMP COc1cccc2c1CC[C@H]2[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423191552 296390482 /nfs/dbraw/zinc/39/04/82/296390482.db2.gz SWYZTADVGSPAAJ-GOSISDBHSA-N 2 1 311.429 2.847 20 0 DFADMP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@H]1CCC[NH2+]C1)C2 ZINC000423190697 296390584 /nfs/dbraw/zinc/39/05/84/296390584.db2.gz NXCXAXSAFGSLSG-CABCVRRESA-N 2 1 309.251 2.648 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](NC3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423194769 296390756 /nfs/dbraw/zinc/39/07/56/296390756.db2.gz YSKOEUXOWTVWRQ-UFYCRDLUSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423194769 296390757 /nfs/dbraw/zinc/39/07/57/296390757.db2.gz YSKOEUXOWTVWRQ-UFYCRDLUSA-N 3 1 313.489 2.771 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C3CC[NH2+]CC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423194769 296390758 /nfs/dbraw/zinc/39/07/58/296390758.db2.gz YSKOEUXOWTVWRQ-UFYCRDLUSA-N 3 1 313.489 2.771 20 0 DFADMP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423194473 296390892 /nfs/dbraw/zinc/39/08/92/296390892.db2.gz YTQBWABBFNWJSJ-LPHOPBHVSA-N 2 1 313.445 2.927 20 0 DFADMP Brc1cccc2c1C[C@H]([NH2+][C@H]1CCC[NH2+]C1)CC2 ZINC000423196746 296391115 /nfs/dbraw/zinc/39/11/15/296391115.db2.gz WBXVDWMMOMGONY-OLZOCXBDSA-N 2 1 309.251 2.648 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCCNC2)CC1 ZINC000423195987 296391320 /nfs/dbraw/zinc/39/13/20/296391320.db2.gz UEXRGQSXXOXZHQ-JLAWEPINSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000423195987 296391321 /nfs/dbraw/zinc/39/13/21/296391321.db2.gz UEXRGQSXXOXZHQ-JLAWEPINSA-N 3 1 301.478 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[NH2+]C2)CC1 ZINC000423195987 296391323 /nfs/dbraw/zinc/39/13/23/296391323.db2.gz UEXRGQSXXOXZHQ-JLAWEPINSA-N 3 1 301.478 2.771 20 0 DFADMP [NH3+]C1(C[NH2+]C2CCN(Cc3ccccn3)CC2)CCCCCC1 ZINC000423205927 296392224 /nfs/dbraw/zinc/39/22/24/296392224.db2.gz WFNLECCFVMPDEN-UHFFFAOYSA-N 2 1 316.493 2.687 20 0 DFADMP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423210968 296392755 /nfs/dbraw/zinc/39/27/55/296392755.db2.gz GUZKFLSAMLOSKM-BQFCYCMXSA-N 2 1 319.493 2.666 20 0 DFADMP C[C@H](N[C@@H](C)[C@H]1CCC[NH2+]C1)c1cccc(OCC[NH+](C)C)c1 ZINC000423218070 296393780 /nfs/dbraw/zinc/39/37/80/296393780.db2.gz RHKSFAVRRRKSEU-BQFCYCMXSA-N 2 1 319.493 2.666 20 0 DFADMP C[C@@H]([NH3+])CC[NH2+][C@@H](C)c1ccccc1I ZINC000423227252 296394830 /nfs/dbraw/zinc/39/48/30/296394830.db2.gz VBIIZIALCPSBBG-ZJUUUORDSA-N 2 1 318.202 2.679 20 0 DFADMP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000423232285 296395027 /nfs/dbraw/zinc/39/50/27/296395027.db2.gz IBPIQBFNAKMBRO-MFKMUULPSA-N 2 1 315.230 2.861 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC000347812916 285185913 /nfs/dbraw/zinc/18/59/13/285185913.db2.gz JWKSMXFFSIJFNP-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC000347812916 285185918 /nfs/dbraw/zinc/18/59/18/285185918.db2.gz JWKSMXFFSIJFNP-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000347812916 285185923 /nfs/dbraw/zinc/18/59/23/285185923.db2.gz JWKSMXFFSIJFNP-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)C[C@@H](CN)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258149 296397717 /nfs/dbraw/zinc/39/77/17/296397717.db2.gz BDNKARQKZKCFKC-RDJZCZTQSA-N 2 1 307.482 2.651 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423258149 296397719 /nfs/dbraw/zinc/39/77/19/296397719.db2.gz BDNKARQKZKCFKC-RDJZCZTQSA-N 3 1 307.482 2.651 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000423260441 296397935 /nfs/dbraw/zinc/39/79/35/296397935.db2.gz HMBQLOPWESKVEV-UPTPFMHGSA-N 2 1 310.482 2.996 20 0 DFADMP C[C@@H]([NH2+][C@H](C[NH3+])C1CC1)c1ccc(F)c(Br)c1 ZINC000423274656 296399573 /nfs/dbraw/zinc/39/95/73/296399573.db2.gz KRAXSXIWZRALFR-AMIZOPFISA-N 2 1 301.203 2.976 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000629406933 399595628 /nfs/dbraw/zinc/59/56/28/399595628.db2.gz QZXUUSNEFLKBHR-NZVBXONLSA-N 2 1 309.251 2.646 20 0 DFADMP C[C@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1ccccc1-n1ccnn1 ZINC000423265417 296398551 /nfs/dbraw/zinc/39/85/51/296398551.db2.gz QYWBCHQLFUASQL-YOEHRIQHSA-N 2 1 313.449 2.826 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2cc(Br)ccc2C1)C1CC1 ZINC000423275349 296399915 /nfs/dbraw/zinc/39/99/15/296399915.db2.gz LSUMBNFYKORWAI-LSDHHAIUSA-N 2 1 309.251 2.633 20 0 DFADMP CC(C)n1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)nn1 ZINC000347851076 285207086 /nfs/dbraw/zinc/20/70/86/285207086.db2.gz LKMZHQPPDZPZRG-UHFFFAOYSA-N 2 1 319.497 2.947 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1)[C@H]1CCOC1 ZINC000423326683 296404884 /nfs/dbraw/zinc/40/48/84/296404884.db2.gz JOIPFVMVKFYETK-WZGPROSRSA-N 2 1 318.461 2.545 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000624224382 399603563 /nfs/dbraw/zinc/60/35/63/399603563.db2.gz UHSMUZIFPFYDKS-HFKIYIHZSA-N 2 1 312.457 2.664 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000624224382 399603570 /nfs/dbraw/zinc/60/35/70/399603570.db2.gz UHSMUZIFPFYDKS-HFKIYIHZSA-N 2 1 312.457 2.664 20 0 DFADMP COc1ccc(CCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1OC ZINC000155201363 197032598 /nfs/dbraw/zinc/03/25/98/197032598.db2.gz SQUOATIARKSAQX-INMHGKMJSA-N 2 1 320.477 2.955 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[NH2+]C[C@@H]1O)c1ccc(Oc2ccccc2)cc1 ZINC000423408234 296413355 /nfs/dbraw/zinc/41/33/55/296413355.db2.gz OKACSEBRZAITEK-QOKNQOGYSA-N 2 1 312.413 2.710 20 0 DFADMP Cc1cc(Br)cc2c1[C@@H]([NH2+][C@@H]1[C@H]3C[NH2+]C[C@H]31)CC2 ZINC000423419152 296414814 /nfs/dbraw/zinc/41/48/14/296414814.db2.gz APUPJNHYXZABDJ-SFDCQRBFSA-N 2 1 307.235 2.552 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1 ZINC000271675535 285245206 /nfs/dbraw/zinc/24/52/06/285245206.db2.gz HLQHCOOPJGQRQS-GOSISDBHSA-N 2 1 306.425 2.640 20 0 DFADMP C[C@H](CNC(=O)[C@@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000066048150 542457035 /nfs/dbraw/zinc/45/70/35/542457035.db2.gz KLVQYOBEMFINCR-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000602876819 399612371 /nfs/dbraw/zinc/61/23/71/399612371.db2.gz BNUGDYLUUPLGNU-UHFFFAOYSA-N 2 1 310.482 2.774 20 0 DFADMP Cc1ccc(C)c([C@H]([NH2+]C[C@H]2C[NH2+]C[C@@H]2O)c2ccccc2)c1 ZINC000423436740 296416396 /nfs/dbraw/zinc/41/63/96/296416396.db2.gz TXNUOAWTKBMWFJ-YZGWKJHDSA-N 2 1 310.441 2.563 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCCN1C(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423438351 296416688 /nfs/dbraw/zinc/41/66/88/296416688.db2.gz RIJRWLBAKJWXDB-CXAGYDPISA-N 2 1 312.417 2.516 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423440140 296416962 /nfs/dbraw/zinc/41/69/62/296416962.db2.gz APJSXUKXRDXOKT-QPUJVOFHSA-N 2 1 301.203 2.902 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+]C1CCN([C@@H](C)Cc2ccccc2)CC1 ZINC000423457379 296418102 /nfs/dbraw/zinc/41/81/02/296418102.db2.gz OWYYPSVVVJBPFL-SJORKVTESA-N 2 1 303.494 2.799 20 0 DFADMP CC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000423470180 296419092 /nfs/dbraw/zinc/41/90/92/296419092.db2.gz GONPUQIQYCUSSR-RISCZKNCSA-N 2 1 311.376 2.540 20 0 DFADMP Cc1nc2c(s1)[C@@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)CCC2 ZINC000423478176 296420140 /nfs/dbraw/zinc/42/01/40/296420140.db2.gz MWTXERGDZYYKRU-QWRGUYRKSA-N 2 1 301.406 2.663 20 0 DFADMP COCOc1ccc(OC)cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000120399310 195157890 /nfs/dbraw/zinc/15/78/90/195157890.db2.gz KPBXEULTHWITHU-CVEARBPZSA-N 2 1 322.449 2.640 20 0 DFADMP CCc1nc(C)c([C@@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)s1 ZINC000423490136 296421645 /nfs/dbraw/zinc/42/16/45/296421645.db2.gz YCTHRJOQISMVLN-KOLCDFICSA-N 2 1 303.422 2.909 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423502627 296422954 /nfs/dbraw/zinc/42/29/54/296422954.db2.gz FDQUBTBWTGEOQY-SMDDNHRTSA-N 2 1 302.340 2.735 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+](C)CCCn1cc[nH+]c1C ZINC000294924417 533206520 /nfs/dbraw/zinc/20/65/20/533206520.db2.gz JNKSCPCWNHPJEG-GOSISDBHSA-N 2 1 301.434 2.771 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000294924417 533206524 /nfs/dbraw/zinc/20/65/24/533206524.db2.gz JNKSCPCWNHPJEG-GOSISDBHSA-N 2 1 301.434 2.771 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@]2(C1)CCC[NH+](C)C2 ZINC000296673772 533208927 /nfs/dbraw/zinc/20/89/27/533208927.db2.gz HGSLHYAVCSQGKB-MOPGFXCFSA-N 2 1 302.462 2.662 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000296673772 533208932 /nfs/dbraw/zinc/20/89/32/533208932.db2.gz HGSLHYAVCSQGKB-MOPGFXCFSA-N 2 1 302.462 2.662 20 0 DFADMP C[NH+](C)C1CC[NH+](C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000347970200 285275942 /nfs/dbraw/zinc/27/59/42/285275942.db2.gz MKGHENWJOCMLJY-FQEVSTJZSA-N 2 1 312.457 2.769 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000296673772 533208939 /nfs/dbraw/zinc/20/89/39/533208939.db2.gz HGSLHYAVCSQGKB-MOPGFXCFSA-N 2 1 302.462 2.662 20 0 DFADMP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423558523 296429264 /nfs/dbraw/zinc/42/92/64/296429264.db2.gz NVMITVDEMNFBRD-GOSISDBHSA-N 2 1 310.445 2.981 20 0 DFADMP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]Cc2ccc[nH]c2=O)CC1 ZINC000624257509 399617785 /nfs/dbraw/zinc/61/77/85/399617785.db2.gz GLLKTBMCVAGEQQ-RHSMWYFYSA-N 2 1 303.450 2.920 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@@H]1CCc2c1c(F)ccc2F ZINC000269901163 285290769 /nfs/dbraw/zinc/29/07/69/285290769.db2.gz GRUYXIQDQXPAJM-CXAGYDPISA-N 2 1 324.415 2.779 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000289519043 221035491 /nfs/dbraw/zinc/03/54/91/221035491.db2.gz FWKYZDPXKFHGMU-QFBILLFUSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000289519043 221035493 /nfs/dbraw/zinc/03/54/93/221035493.db2.gz FWKYZDPXKFHGMU-QFBILLFUSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000289519043 221035497 /nfs/dbraw/zinc/03/54/97/221035497.db2.gz FWKYZDPXKFHGMU-QFBILLFUSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000289519043 221035498 /nfs/dbraw/zinc/03/54/98/221035498.db2.gz FWKYZDPXKFHGMU-QFBILLFUSA-N 2 1 320.477 2.764 20 0 DFADMP C[C@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000289560265 221068431 /nfs/dbraw/zinc/06/84/31/221068431.db2.gz YNSFCETWCOMCTK-MRXNPFEDSA-N 2 1 321.484 2.887 20 0 DFADMP C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)[C@@H]1CC[NH2+]C1 ZINC000629512860 399629843 /nfs/dbraw/zinc/62/98/43/399629843.db2.gz FYTQNTQZYOZZIC-BPGGGUHBSA-N 2 1 314.351 2.509 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccc(F)cc1 ZINC000629516608 399633018 /nfs/dbraw/zinc/63/30/18/399633018.db2.gz LNTCBDQXTAREPJ-KBAYOESNSA-N 2 1 306.425 2.977 20 0 DFADMP [NH3+]C1(C[NH2+][C@@H](C[C@H]2CCCO2)c2ccc(F)cc2)CCOCC1 ZINC000629519889 399634026 /nfs/dbraw/zinc/63/40/26/399634026.db2.gz IMRUVGJGBRNCHH-SJORKVTESA-N 2 1 322.424 2.533 20 0 DFADMP CCO[C@H](C[N@@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000629522870 399635032 /nfs/dbraw/zinc/63/50/32/399635032.db2.gz HYQIDIVXWYUVNI-GDBMZVCRSA-N 2 1 323.506 2.678 20 0 DFADMP CCO[C@H](C[N@H+](Cc1scnc1C)C[C@@H]1CC[NH2+]C1)C1CC1 ZINC000629522870 399635036 /nfs/dbraw/zinc/63/50/36/399635036.db2.gz HYQIDIVXWYUVNI-GDBMZVCRSA-N 2 1 323.506 2.678 20 0 DFADMP COC(=O)C1(C[NH2+][C@@H](C)c2ccc(-n3cc[nH+]c3C)cc2)CC1 ZINC000289831331 221256651 /nfs/dbraw/zinc/25/66/51/221256651.db2.gz UKQLYMCHHNOYHR-ZDUSSCGKSA-N 2 1 313.401 2.785 20 0 DFADMP COc1cccc2cc([C@@H](C)[NH2+]CC3([NH3+])CCOCC3)oc21 ZINC000629525086 399635448 /nfs/dbraw/zinc/63/54/48/399635448.db2.gz RSWQVBQUDKMJEC-GFCCVEGCSA-N 2 1 304.390 2.600 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000629527410 399636840 /nfs/dbraw/zinc/63/68/40/399636840.db2.gz VCSDLLAHXSHYGU-XGXHKWSGSA-N 2 1 301.478 2.627 20 0 DFADMP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000629527542 399636940 /nfs/dbraw/zinc/63/69/40/399636940.db2.gz YDAGVOPUHIEAKP-UHZRXMQZSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H](CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Br)nc1 ZINC000289991332 221365689 /nfs/dbraw/zinc/36/56/89/221365689.db2.gz YIRSDKJIAOGKJA-QWRGUYRKSA-N 2 1 300.244 2.835 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1ccncc1Br)CC[NH2+]CC2 ZINC000629540714 399641926 /nfs/dbraw/zinc/64/19/26/399641926.db2.gz WVDSCIAKJXMEGY-GFCCVEGCSA-N 2 1 324.266 2.808 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[C@H](C)[NH2+]C2)c(C)c1OC ZINC000629541742 399641982 /nfs/dbraw/zinc/64/19/82/399641982.db2.gz VBSZHSSCJXNDON-XEZPLFJOSA-N 2 1 306.450 2.673 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)cc1OCC ZINC000624357977 399653383 /nfs/dbraw/zinc/65/33/83/399653383.db2.gz QNJXVCAXDRSSOD-HNNXBMFYSA-N 2 1 315.417 2.785 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCc3c(O)cccc3C2)cc1 ZINC000629582281 399654615 /nfs/dbraw/zinc/65/46/15/399654615.db2.gz RBIVQECKYJTGLS-INIZCTEOSA-N 2 1 312.413 2.501 20 0 DFADMP CSc1ccc(OCC[N@@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585602 399656062 /nfs/dbraw/zinc/65/60/62/399656062.db2.gz YAWSQYJMDJBHLJ-CALCHBBNSA-N 2 1 306.475 2.719 20 0 DFADMP CSc1ccc(OCC[N@H+]2C[C@@]3(C)C[NH2+]C[C@@]3(C)C2)cc1 ZINC000629585602 399656065 /nfs/dbraw/zinc/65/60/65/399656065.db2.gz YAWSQYJMDJBHLJ-CALCHBBNSA-N 2 1 306.475 2.719 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2cn([C@H]3CC[NH2+]C3)nn2)c2sccc21 ZINC000629545494 399643075 /nfs/dbraw/zinc/64/30/75/399643075.db2.gz BXIWCRNRWKOFBM-OSAQELSMSA-N 2 1 317.462 2.602 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(O)ccc2Cl)C1 ZINC000629549098 399644016 /nfs/dbraw/zinc/64/40/16/399644016.db2.gz QDWUYVSBPHUZHF-KBRIMQKVSA-N 2 1 324.852 2.906 20 0 DFADMP C[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629548268 399644158 /nfs/dbraw/zinc/64/41/58/399644158.db2.gz YIDYTWFUHICHBT-LFAQGZIKSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[NH2+][C@H]1C ZINC000629547185 399644386 /nfs/dbraw/zinc/64/43/86/399644386.db2.gz RUWXAOABUWOMEY-PKFCDNJMSA-N 2 1 315.230 2.859 20 0 DFADMP CC(C)C[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccs1 ZINC000629552478 399645455 /nfs/dbraw/zinc/64/54/55/399645455.db2.gz KMVZCBFWGZAHMP-GJZGRUSLSA-N 2 1 319.478 2.751 20 0 DFADMP CC(C)C[C@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000629552340 399645562 /nfs/dbraw/zinc/64/55/62/399645562.db2.gz HVMMXFIQBKOXFO-MSOLQXFVSA-N 2 1 313.449 2.690 20 0 DFADMP C[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc2ccccc21 ZINC000629551547 399645859 /nfs/dbraw/zinc/64/58/59/399645859.db2.gz VAESMPXSGGOLOC-YOEHRIQHSA-N 2 1 321.428 2.817 20 0 DFADMP Cc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cc1 ZINC000629560654 399649432 /nfs/dbraw/zinc/64/94/32/399649432.db2.gz GEVPELHYWWDSRU-LSDHHAIUSA-N 2 1 300.368 2.997 20 0 DFADMP CN(C)c1ccccc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561993 399650677 /nfs/dbraw/zinc/65/06/77/399650677.db2.gz KWKQZSBBNOSIMB-KGLIPLIRSA-N 2 1 315.383 2.712 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1 ZINC000629561993 399650682 /nfs/dbraw/zinc/65/06/82/399650682.db2.gz KWKQZSBBNOSIMB-KGLIPLIRSA-N 2 1 315.383 2.712 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2cccc3c2NCC3)CC[C@H]1C(F)(F)F ZINC000629656414 399677525 /nfs/dbraw/zinc/67/75/25/399677525.db2.gz OHNUZDQKUKWRSK-ZIAGYGMSSA-N 2 1 313.367 2.614 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2cccc3c2NCC3)CC[C@H]1C(F)(F)F ZINC000629656414 399677526 /nfs/dbraw/zinc/67/75/26/399677526.db2.gz OHNUZDQKUKWRSK-ZIAGYGMSSA-N 2 1 313.367 2.614 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000617352553 399675554 /nfs/dbraw/zinc/67/55/54/399675554.db2.gz ZAQBQURJRVMUAH-INIZCTEOSA-N 2 1 311.514 2.878 20 0 DFADMP c1cc(-c2ccc3c(c2)CC[NH2+]C3)ccc1C[NH+]1CCOCC1 ZINC000629733380 399706727 /nfs/dbraw/zinc/70/67/27/399706727.db2.gz PKONWLGYSCZJKV-UHFFFAOYSA-N 2 1 308.425 2.832 20 0 DFADMP C[C@@H]1CC(F)(F)CCN1C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000625979727 399707923 /nfs/dbraw/zinc/70/79/23/399707923.db2.gz SQMPBXNRFTWNSR-ZBFHGGJFSA-N 2 1 312.404 2.599 20 0 DFADMP C[C@@H]1CC(F)(F)CC[N@@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000625979727 399707927 /nfs/dbraw/zinc/70/79/27/399707927.db2.gz SQMPBXNRFTWNSR-ZBFHGGJFSA-N 2 1 312.404 2.599 20 0 DFADMP C[C@@H]1CC(F)(F)CC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000625979727 399707931 /nfs/dbraw/zinc/70/79/31/399707931.db2.gz SQMPBXNRFTWNSR-ZBFHGGJFSA-N 2 1 312.404 2.599 20 0 DFADMP CC[C@H]1CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)CC1 ZINC000617507167 399719795 /nfs/dbraw/zinc/71/97/95/399719795.db2.gz KZPRKQNJZGWZBQ-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP CC[C@H]1CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)CC1 ZINC000617507167 399719798 /nfs/dbraw/zinc/71/97/98/399719798.db2.gz KZPRKQNJZGWZBQ-ULQDDVLXSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348100149 285348899 /nfs/dbraw/zinc/34/88/99/285348899.db2.gz DZZTUFPSEBXUKG-ZOBORPQBSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)[NH2+][C@H]1CCO[C@@H](C(F)(F)F)C1 ZINC000348100149 285348900 /nfs/dbraw/zinc/34/89/00/285348900.db2.gz DZZTUFPSEBXUKG-ZOBORPQBSA-N 2 1 308.388 2.806 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2ccc(C(N)=O)cc2)CC1 ZINC000052209801 425884104 /nfs/dbraw/zinc/88/41/04/425884104.db2.gz XOGIRSUBPAJROO-UHFFFAOYSA-N 2 1 317.477 2.729 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1cccc(-n2ccnn2)c1 ZINC000348118465 285361654 /nfs/dbraw/zinc/36/16/54/285361654.db2.gz XQRSDYGZMSRRJW-HNNXBMFYSA-N 2 1 324.432 2.903 20 0 DFADMP Cc1cccn2c(C[NH+]3CCC(Cc4[nH+]ccn4C)CC3)cnc12 ZINC000121787921 195346627 /nfs/dbraw/zinc/34/66/27/195346627.db2.gz UGMUKDIGTNHIFS-UHFFFAOYSA-N 2 1 323.444 2.831 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130117 285369811 /nfs/dbraw/zinc/36/98/11/285369811.db2.gz UUOKTRMAAVIWBH-MSOLQXFVSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130117 285369814 /nfs/dbraw/zinc/36/98/14/285369814.db2.gz UUOKTRMAAVIWBH-MSOLQXFVSA-N 2 1 322.880 2.804 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CC[C@](O)(Cc2cccc(Cl)c2)C1 ZINC000348130117 285369816 /nfs/dbraw/zinc/36/98/16/285369816.db2.gz UUOKTRMAAVIWBH-MSOLQXFVSA-N 2 1 322.880 2.804 20 0 DFADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124396397 195637192 /nfs/dbraw/zinc/63/71/92/195637192.db2.gz INGKVZHSGNOSNI-JXFKEZNVSA-N 2 1 315.505 2.783 20 0 DFADMP COCC[C@@H](C)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000124503932 195648616 /nfs/dbraw/zinc/64/86/16/195648616.db2.gz HXIIZTVEUZCEFL-CYBMUJFWSA-N 2 1 311.495 2.678 20 0 DFADMP CC[N@@H+](CCc1cncc(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626063776 399742819 /nfs/dbraw/zinc/74/28/19/399742819.db2.gz PWMRLPMQQICLGZ-UHFFFAOYSA-N 2 1 312.461 2.911 20 0 DFADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309794247 533367057 /nfs/dbraw/zinc/36/70/57/533367057.db2.gz POMUQQPIPJLNTM-XLIONFOSSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000309794247 533367061 /nfs/dbraw/zinc/36/70/61/533367061.db2.gz POMUQQPIPJLNTM-XLIONFOSSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309794248 533368112 /nfs/dbraw/zinc/36/81/12/533368112.db2.gz POMUQQPIPJLNTM-YLJYHZDGSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]([NH2+]CC1CC[NH+](C)CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000309794248 533368118 /nfs/dbraw/zinc/36/81/18/533368118.db2.gz POMUQQPIPJLNTM-YLJYHZDGSA-N 2 1 315.505 2.828 20 0 DFADMP CCc1ccc(C2CC[NH+](C[C@@H](O)C[N@H+](C)C3CC3)CC2)cc1 ZINC000626086644 399749612 /nfs/dbraw/zinc/74/96/12/399749612.db2.gz JTEKIQCITXPRLZ-FQEVSTJZSA-N 2 1 316.489 2.884 20 0 DFADMP CCc1ccc(C2CC[NH+](C[C@@H](O)C[N@@H+](C)C3CC3)CC2)cc1 ZINC000626086644 399749615 /nfs/dbraw/zinc/74/96/15/399749615.db2.gz JTEKIQCITXPRLZ-FQEVSTJZSA-N 2 1 316.489 2.884 20 0 DFADMP C[C@H](CO)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000121243291 542583767 /nfs/dbraw/zinc/58/37/67/542583767.db2.gz NVABFELHZMEBIU-QXAKKESOSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000121243291 542583773 /nfs/dbraw/zinc/58/37/73/542583773.db2.gz NVABFELHZMEBIU-QXAKKESOSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](CO)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000121243291 542583779 /nfs/dbraw/zinc/58/37/79/542583779.db2.gz NVABFELHZMEBIU-QXAKKESOSA-N 2 1 302.462 2.601 20 0 DFADMP OC[C@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2c1cc(F)cc2F ZINC000121333106 542584293 /nfs/dbraw/zinc/58/42/93/542584293.db2.gz QUNGAJMVHFCZIU-KDOFPFPSSA-N 2 1 324.415 2.779 20 0 DFADMP CCOc1cncc(C[NH2+]CCC[NH+]2C[C@H](C)C[C@@H](C)C2)c1 ZINC000621328833 399756674 /nfs/dbraw/zinc/75/66/74/399756674.db2.gz FPGSSAHNXFJLPJ-HZPDHXFCSA-N 2 1 305.466 2.938 20 0 DFADMP CN(C)[C@@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1Cl ZINC000629942984 399761958 /nfs/dbraw/zinc/76/19/58/399761958.db2.gz GMEDWUJNEGKMGM-INIZCTEOSA-N 2 1 323.868 2.543 20 0 DFADMP CCCc1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000621351187 399763825 /nfs/dbraw/zinc/76/38/25/399763825.db2.gz IBRINKZNNUVJNX-UHFFFAOYSA-N 2 1 309.523 2.816 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(N3CCCC3)nc2)CC1 ZINC000130766012 542633356 /nfs/dbraw/zinc/63/33/56/542633356.db2.gz DQAINJUAQUAYFG-UHFFFAOYSA-N 2 1 302.466 2.646 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000629980058 399779925 /nfs/dbraw/zinc/77/99/25/399779925.db2.gz LUPDUOKPSBDYCW-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000285162714 131143371 /nfs/dbraw/zinc/14/33/71/131143371.db2.gz MQBNJIDHCQLMPX-CSODTCANSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H](C[NH+]1CCCCCC1)[NH2+][C@@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348307041 285484153 /nfs/dbraw/zinc/48/41/53/285484153.db2.gz PZCMJPQESLBOKH-MCIONIFRSA-N 2 1 308.388 2.950 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C[C@](C)(O)[C@H](C)CC)[C@@H](C)C1 ZINC000163814321 132123901 /nfs/dbraw/zinc/12/39/01/132123901.db2.gz ABJBKYGPCFBIJD-MLHJIOFPSA-N 2 1 314.514 2.510 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(F)c(Cl)c2)CC1 ZINC000161994744 542735346 /nfs/dbraw/zinc/73/53/46/542735346.db2.gz ZOFHGRUQUPZCRH-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000162593807 542737706 /nfs/dbraw/zinc/73/77/06/542737706.db2.gz GKRKXYHUKKAFKC-WMLDXEAASA-N 2 1 300.446 2.626 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)CCC2 ZINC000166280640 542752198 /nfs/dbraw/zinc/75/21/98/542752198.db2.gz DXSNQMMYFIVPFS-HKUYNNGSSA-N 2 1 302.462 2.809 20 0 DFADMP CCc1cccc(NC(=O)CN(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000174769683 542762407 /nfs/dbraw/zinc/76/24/07/542762407.db2.gz UVVRRHLLGOIVCW-MAUKXSAKSA-N 2 1 317.477 2.850 20 0 DFADMP COCC[N@H+](C)CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000177987994 542774348 /nfs/dbraw/zinc/77/43/48/542774348.db2.gz KHHHMFMZRKHPJW-HNNXBMFYSA-N 2 1 312.454 2.921 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H]1CCSc2c(F)cccc21 ZINC000177987994 542774350 /nfs/dbraw/zinc/77/43/50/542774350.db2.gz KHHHMFMZRKHPJW-HNNXBMFYSA-N 2 1 312.454 2.921 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCc2ccc(F)cc21 ZINC000268896395 542961569 /nfs/dbraw/zinc/96/15/69/542961569.db2.gz KFIGENIRJABTKZ-WMZOPIPTSA-N 2 1 306.425 2.640 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(OC)c(OC)cc32)C1 ZINC000280146970 542986986 /nfs/dbraw/zinc/98/69/86/542986986.db2.gz PZRDBPIOYLCVKJ-CZUORRHYSA-N 2 1 304.434 2.623 20 0 DFADMP COCC[C@H](C)[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000309982705 543066701 /nfs/dbraw/zinc/06/67/01/543066701.db2.gz VXLXDSXMBLSBMH-WDSOQIARSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309982705 543066702 /nfs/dbraw/zinc/06/67/02/543066702.db2.gz VXLXDSXMBLSBMH-WDSOQIARSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000309982705 543066705 /nfs/dbraw/zinc/06/67/05/543066705.db2.gz VXLXDSXMBLSBMH-WDSOQIARSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309982703 543066986 /nfs/dbraw/zinc/06/69/86/543066986.db2.gz VXLXDSXMBLSBMH-QXAKKESOSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309982703 543066988 /nfs/dbraw/zinc/06/69/88/543066988.db2.gz VXLXDSXMBLSBMH-QXAKKESOSA-N 2 1 302.462 2.865 20 0 DFADMP COCC[C@H](C)[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309982703 543066991 /nfs/dbraw/zinc/06/69/91/543066991.db2.gz VXLXDSXMBLSBMH-QXAKKESOSA-N 2 1 302.462 2.865 20 0 DFADMP Cn1cc(CCC[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cn1 ZINC000314697397 543069534 /nfs/dbraw/zinc/06/95/34/543069534.db2.gz LPSXIWLMQZAOBV-UHFFFAOYSA-N 2 1 312.461 2.607 20 0 DFADMP CC1(C)Cc2cccc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)c2O1 ZINC000319768157 543080348 /nfs/dbraw/zinc/08/03/48/543080348.db2.gz YSNPGNOEMNDRJB-LPHOPBHVSA-N 2 1 300.446 2.961 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)c1 ZINC000322151119 543088541 /nfs/dbraw/zinc/08/85/41/543088541.db2.gz ZCLXOXOBEUCOSH-HKUYNNGSSA-N 2 1 310.445 2.836 20 0 DFADMP CCc1ccc(CC[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604390349 399844113 /nfs/dbraw/zinc/84/41/13/399844113.db2.gz WBWMOXBXDYRXQL-HXUWFJFHSA-N 2 1 315.505 2.503 20 0 DFADMP c1cn(Cc2cccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)c2)cn1 ZINC000339066654 543140100 /nfs/dbraw/zinc/14/01/00/543140100.db2.gz CPDLACUFRUNJRR-MOPGFXCFSA-N 2 1 310.445 2.648 20 0 DFADMP CCc1cc(NC[C@H]([NH2+][C@H](C)CC)c2ccco2)nc(C)[nH+]1 ZINC000343265345 543166403 /nfs/dbraw/zinc/16/64/03/543166403.db2.gz BUXYFRLDFNGAHQ-DOMZBBRYSA-N 2 1 302.422 2.904 20 0 DFADMP CCOCCC[N@H+]1CC[C@H](NCc2ccc(COC)o2)[C@@H](C)C1 ZINC000344429770 543172498 /nfs/dbraw/zinc/17/24/98/543172498.db2.gz KCKVSIRMRZRCFU-YJBOKZPZSA-N 2 1 324.465 2.653 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[NH2+][C@H]1CC[C@H]1C1CC1 ZINC000348072276 543183176 /nfs/dbraw/zinc/18/31/76/543183176.db2.gz AEKVLLJQOOLJRM-OALUTQOASA-N 2 1 300.446 2.797 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000352845359 543232537 /nfs/dbraw/zinc/23/25/37/543232537.db2.gz IGOYPMNNHZLPQI-DOTOQJQBSA-N 2 1 321.509 2.511 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353681115 543237834 /nfs/dbraw/zinc/23/78/34/543237834.db2.gz ADVFDIHXRAXFLE-LWYYNNOASA-N 2 1 316.489 2.690 20 0 DFADMP CC(C)[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000354332730 543243153 /nfs/dbraw/zinc/24/31/53/543243153.db2.gz VODVDPQZXURZTC-SJLPKXTDSA-N 2 1 323.525 2.734 20 0 DFADMP FC(F)(F)c1cccc(OCCC[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000359273784 543272123 /nfs/dbraw/zinc/27/21/23/543272123.db2.gz JJQGBPMBSTWKIC-BETUJISGSA-N 2 1 314.351 2.626 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H](C[NH2+]CC[C@@H]3CCOC3)C2)cc1 ZINC000400611529 543311575 /nfs/dbraw/zinc/31/15/75/543311575.db2.gz LXOUZURBZBSLGI-MOPGFXCFSA-N 2 1 302.462 2.915 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(F)cc(C(F)(F)F)c1 ZINC000401737942 543311875 /nfs/dbraw/zinc/31/18/75/543311875.db2.gz PZKGGKAOAVYVJR-UHFFFAOYSA-N 2 1 301.287 2.910 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398181546 543310931 /nfs/dbraw/zinc/31/09/31/543310931.db2.gz KDLPNSNNWOBUAT-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398181546 543310932 /nfs/dbraw/zinc/31/09/32/543310932.db2.gz KDLPNSNNWOBUAT-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP CCC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000398181546 543310934 /nfs/dbraw/zinc/31/09/34/543310934.db2.gz KDLPNSNNWOBUAT-IHPCNDPISA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CC[NH2+]C2)cc1 ZINC000164570412 145224795 /nfs/dbraw/zinc/22/47/95/145224795.db2.gz QAYNOXULCGSAAW-GDBMZVCRSA-N 2 1 301.434 2.609 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000425359322 296572749 /nfs/dbraw/zinc/57/27/49/296572749.db2.gz PQAUPMUUDJBUBP-IAGOWNOFSA-N 2 1 306.475 2.502 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000167480838 145240469 /nfs/dbraw/zinc/24/04/69/145240469.db2.gz CQXJHWSMZOMVMV-OEUWWYETSA-N 2 1 323.431 2.862 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)CCCCCC[NH3+])C1 ZINC000168325012 145242366 /nfs/dbraw/zinc/24/23/66/145242366.db2.gz ZPLVHLKWCRNHIY-OAHLLOKOSA-N 2 1 306.454 2.518 20 0 DFADMP CN(C)c1ccccc1C[NH+]1CCC(Cc2[nH+]ccn2C)CC1 ZINC000173692337 145351346 /nfs/dbraw/zinc/35/13/46/145351346.db2.gz LCHBCTQCJXZACB-UHFFFAOYSA-N 2 1 312.461 2.941 20 0 DFADMP Cc1ccccc1C[N@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174902287 145393526 /nfs/dbraw/zinc/39/35/26/145393526.db2.gz ZBTCRCOUFQDRTI-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccccc1C[N@@H+]1CCCC[C@@H](N2CC[NH+](C)CC2)C1 ZINC000174902287 145393529 /nfs/dbraw/zinc/39/35/29/145393529.db2.gz ZBTCRCOUFQDRTI-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1Nc1nc(N2Cc3ccccc3C2)cc[nH+]1 ZINC000630510735 399896772 /nfs/dbraw/zinc/89/67/72/399896772.db2.gz ZDMVXCRWBTVRDW-YOEHRIQHSA-N 2 1 323.444 2.926 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CN1c1cc[nH+]c2ccc(Br)cc21 ZINC000630559730 399903222 /nfs/dbraw/zinc/90/32/22/399903222.db2.gz ZESCTHYONOLKNS-GXSJLCMTSA-N 2 1 306.207 2.923 20 0 DFADMP C[NH+](C)CC1(C[NH2+]Cc2ccnn2CC2CCC2)CCCC1 ZINC000631111386 399982621 /nfs/dbraw/zinc/98/26/21/399982621.db2.gz INALAOHTCLSJHK-UHFFFAOYSA-N 2 1 304.482 2.895 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC000633953987 399965041 /nfs/dbraw/zinc/96/50/41/399965041.db2.gz UXWKRHYMRGWKCA-QGZVFWFLSA-N 2 1 321.509 2.728 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000631044033 399968390 /nfs/dbraw/zinc/96/83/90/399968390.db2.gz CCNVWVPPGHDQNU-UHFFFAOYSA-N 2 1 311.429 2.850 20 0 DFADMP COCCc1ncc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)s1 ZINC000631074569 399975174 /nfs/dbraw/zinc/97/51/74/399975174.db2.gz CTFAGHXFKZFLSP-AWEZNQCLSA-N 2 1 313.511 2.788 20 0 DFADMP CC[C@H](C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1)[NH+](CC)CC ZINC000628545446 400039916 /nfs/dbraw/zinc/03/99/16/400039916.db2.gz POJRRZIIKWHXGD-IAGOWNOFSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(C(F)F)nc2)CCCO1 ZINC000631122629 399984970 /nfs/dbraw/zinc/98/49/70/399984970.db2.gz VCIAVHSCWAJAFW-CYBMUJFWSA-N 2 1 313.392 2.610 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]Cc2ccc(C(F)F)nc2)CCCO1 ZINC000631122629 399984972 /nfs/dbraw/zinc/98/49/72/399984972.db2.gz VCIAVHSCWAJAFW-CYBMUJFWSA-N 2 1 313.392 2.610 20 0 DFADMP CCC1([NH+](C)C)CCN(C(=O)[C@@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000634120877 399985237 /nfs/dbraw/zinc/98/52/37/399985237.db2.gz PQMOAEXNCHMJPD-OWCLPIDISA-N 2 1 309.498 2.581 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@]2(C)CCCS2)C1 ZINC000628186670 399998217 /nfs/dbraw/zinc/99/82/17/399998217.db2.gz SMHWMOGVUHPNMU-CVEARBPZSA-N 2 1 300.512 2.705 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)CO1 ZINC000631194537 400000382 /nfs/dbraw/zinc/00/03/82/400000382.db2.gz LYTDIDYFRLNLGD-OQIJWPOYSA-N 2 1 302.462 2.912 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195552 400000743 /nfs/dbraw/zinc/00/07/43/400000743.db2.gz HYMMJXIDIDIZDU-VQIMIIECSA-N 2 1 310.445 2.841 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195552 400000745 /nfs/dbraw/zinc/00/07/45/400000745.db2.gz HYMMJXIDIDIZDU-VQIMIIECSA-N 2 1 310.445 2.841 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195550 400000884 /nfs/dbraw/zinc/00/08/84/400000884.db2.gz HYMMJXIDIDIZDU-QFBILLFUSA-N 2 1 310.445 2.841 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195550 400000885 /nfs/dbraw/zinc/00/08/85/400000885.db2.gz HYMMJXIDIDIZDU-QFBILLFUSA-N 2 1 310.445 2.841 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)[C@@H](C)O1 ZINC000631195706 400001160 /nfs/dbraw/zinc/00/11/60/400001160.db2.gz ZXMPXWDZNOOJRZ-RTYCURFASA-N 2 1 302.462 2.910 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000631196650 400001466 /nfs/dbraw/zinc/00/14/66/400001466.db2.gz UYVNFXYFFKXYJD-PSBWJHGTSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)[C@H]1CN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)CC[N@H+]1C ZINC000634300563 400012592 /nfs/dbraw/zinc/01/25/92/400012592.db2.gz CVSDMFKOLUDPOT-IAGOWNOFSA-N 2 1 317.477 2.511 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337279 400022323 /nfs/dbraw/zinc/02/23/23/400022323.db2.gz ATDISPLRWPCRPV-GUYCJALGSA-N 2 1 324.415 2.777 20 0 DFADMP C[NH+](C)[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628747382 400052068 /nfs/dbraw/zinc/05/20/68/400052068.db2.gz PEHKHJCQYTVNJE-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCC[N@@H+](C)C2)o1 ZINC000628756586 400054020 /nfs/dbraw/zinc/05/40/20/400054020.db2.gz UTJOEFOCCYJBKK-OAHLLOKOSA-N 2 1 321.465 2.583 20 0 DFADMP COc1ccc2c(c1)CC[C@H]2[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000631582197 400054683 /nfs/dbraw/zinc/05/46/83/400054683.db2.gz YRCLAGFNIDQJBN-VQIMIIECSA-N 2 1 318.461 2.509 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000631587108 400055417 /nfs/dbraw/zinc/05/54/17/400055417.db2.gz CIWBVQQPUUQPNM-FMKPAKJESA-N 2 1 304.434 2.981 20 0 DFADMP COc1cccc2c1OCCC[C@@H]2[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000631587108 400055418 /nfs/dbraw/zinc/05/54/18/400055418.db2.gz CIWBVQQPUUQPNM-FMKPAKJESA-N 2 1 304.434 2.981 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@@H]2CCCc3ncccc32)C[C@H](C)O1 ZINC000631596974 400056584 /nfs/dbraw/zinc/05/65/84/400056584.db2.gz ORTBXMQCLHMKTC-SOLBZPMBSA-N 2 1 317.477 2.938 20 0 DFADMP COc1ccc2c(c1)CC[C@@H]2[NH2+]CCC[N@H+]1CCCO[C@@H](C)C1 ZINC000631621798 400058978 /nfs/dbraw/zinc/05/89/78/400058978.db2.gz LDTACJZPJURTPT-KXBFYZLASA-N 2 1 318.461 2.773 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+][C@@H]2CCCc3ncccc32)CCCO1 ZINC000631621724 400059080 /nfs/dbraw/zinc/05/90/80/400059080.db2.gz JSTFLYLUDQQZFX-MAUKXSAKSA-N 2 1 303.450 2.550 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+][C@@H]2CCCc3ncccc32)CCCO1 ZINC000631621724 400059081 /nfs/dbraw/zinc/05/90/81/400059081.db2.gz JSTFLYLUDQQZFX-MAUKXSAKSA-N 2 1 303.450 2.550 20 0 DFADMP CC[C@@H]([NH2+]CCc1c[nH+]cn1C)c1cccc(OC)c1OC ZINC000631623031 400059249 /nfs/dbraw/zinc/05/92/49/400059249.db2.gz VJWIWBIYRIVVSW-OAHLLOKOSA-N 2 1 303.406 2.721 20 0 DFADMP C([NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000631647248 400061510 /nfs/dbraw/zinc/06/15/10/400061510.db2.gz GBFCVNKMYJCEPZ-OWSLCNJRSA-N 2 1 304.478 2.656 20 0 DFADMP C[C@H](CCCCO)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000631664317 400064169 /nfs/dbraw/zinc/06/41/69/400064169.db2.gz NPSKFOOJONCONB-ZHALLVOQSA-N 2 1 304.478 2.895 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc3c2CCOC3)[C@@H]2CCC[C@H]21 ZINC000631732586 400070962 /nfs/dbraw/zinc/07/09/62/400070962.db2.gz LLLKLUYDZGNJTF-GBESFXJTSA-N 2 1 300.446 2.722 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631754507 400072627 /nfs/dbraw/zinc/07/26/27/400072627.db2.gz JPULCJVKSKIPGX-AAVRWANBSA-N 2 1 308.388 2.664 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+][C@@H]2C[C@H]2C(F)(F)F)[C@H](C)C1 ZINC000631754507 400072628 /nfs/dbraw/zinc/07/26/28/400072628.db2.gz JPULCJVKSKIPGX-AAVRWANBSA-N 2 1 308.388 2.664 20 0 DFADMP COc1cccc(-c2nc(C[N@@H+]3C[C@H](C[NH3+])C[C@H]3C)co2)c1 ZINC000631822541 400077800 /nfs/dbraw/zinc/07/78/00/400077800.db2.gz HQNAKBIMVLAEPM-OLZOCXBDSA-N 2 1 301.390 2.519 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3C[C@H](C[NH3+])C[C@H]3C)co2)c1 ZINC000631822541 400077801 /nfs/dbraw/zinc/07/78/01/400077801.db2.gz HQNAKBIMVLAEPM-OLZOCXBDSA-N 2 1 301.390 2.519 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826729 400077984 /nfs/dbraw/zinc/07/79/84/400077984.db2.gz WAINCLOECXDLPK-LSDHHAIUSA-N 2 1 304.438 2.549 20 0 DFADMP C(c1nc(C2CCC2)no1)[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000631826729 400077985 /nfs/dbraw/zinc/07/79/85/400077985.db2.gz WAINCLOECXDLPK-LSDHHAIUSA-N 2 1 304.438 2.549 20 0 DFADMP [NH3+][C@@H]1CCCCC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000631832210 400078411 /nfs/dbraw/zinc/07/84/11/400078411.db2.gz BLUPQBXZMDYDIK-CYBMUJFWSA-N 2 1 320.462 2.934 20 0 DFADMP [NH3+][C@@H]1CCCCC[N@@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000631832210 400078412 /nfs/dbraw/zinc/07/84/12/400078412.db2.gz BLUPQBXZMDYDIK-CYBMUJFWSA-N 2 1 320.462 2.934 20 0 DFADMP C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631837261 400078710 /nfs/dbraw/zinc/07/87/10/400078710.db2.gz PWDKPQQCEDUESS-MAUKXSAKSA-N 2 1 311.429 2.687 20 0 DFADMP C[C@H]1C[N@@H+](Cc2cncc(OCc3ccccc3)c2)C[C@H]1C[NH3+] ZINC000631837261 400078711 /nfs/dbraw/zinc/07/87/11/400078711.db2.gz PWDKPQQCEDUESS-MAUKXSAKSA-N 2 1 311.429 2.687 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+]CC3(C)CCC3)cc2)CC1 ZINC000434771381 543349720 /nfs/dbraw/zinc/34/97/20/543349720.db2.gz BLWAINAENVFCKS-UHFFFAOYSA-N 2 1 301.478 2.714 20 0 DFADMP Fc1ccc(C[NH2+]CCC[NH2+]C2CC2)cc1Br ZINC000236176338 146021160 /nfs/dbraw/zinc/02/11/60/146021160.db2.gz DRVCMOPLENFFCF-UHFFFAOYSA-N 2 1 301.203 2.820 20 0 DFADMP CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236761073 146025422 /nfs/dbraw/zinc/02/54/22/146025422.db2.gz IENWXJDYZRSTPP-ZWKOTPCHSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245569299 146085649 /nfs/dbraw/zinc/08/56/49/146085649.db2.gz AMBRRVRRIJRYSO-FOZNTRSISA-N 2 1 323.431 2.782 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245569299 146085653 /nfs/dbraw/zinc/08/56/53/146085653.db2.gz AMBRRVRRIJRYSO-FOZNTRSISA-N 2 1 323.431 2.782 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245629686 146088527 /nfs/dbraw/zinc/08/85/27/146088527.db2.gz PRDVDECIEFDTJY-RDJZCZTQSA-N 2 1 301.438 2.751 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245629686 146088530 /nfs/dbraw/zinc/08/85/30/146088530.db2.gz PRDVDECIEFDTJY-RDJZCZTQSA-N 2 1 301.438 2.751 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2C[C@H](C)[NH+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160377 /nfs/dbraw/zinc/16/03/77/146160377.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160378 /nfs/dbraw/zinc/16/03/78/146160378.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160379 /nfs/dbraw/zinc/16/03/79/146160379.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160380 /nfs/dbraw/zinc/16/03/80/146160380.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](C)N(Cc3ccccc3)C2)[C@@H](C)C1 ZINC000247090615 146160381 /nfs/dbraw/zinc/16/03/81/146160381.db2.gz NZHWDEOMENFHDE-XEYPJELSSA-N 2 1 315.505 2.969 20 0 DFADMP COC[C@@H]([NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC000247091135 146160548 /nfs/dbraw/zinc/16/05/48/146160548.db2.gz PKTMBTXTGPBYKO-QFBILLFUSA-N 2 1 320.477 2.668 20 0 DFADMP COC[C@@H]([NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)C(C)C ZINC000247091135 146160550 /nfs/dbraw/zinc/16/05/50/146160550.db2.gz PKTMBTXTGPBYKO-QFBILLFUSA-N 2 1 320.477 2.668 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H](C)C1 ZINC000247090541 146160672 /nfs/dbraw/zinc/16/06/72/146160672.db2.gz NZDDAHPSMDWEQE-VBQJREDUSA-N 2 1 323.431 2.863 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000453328207 543371547 /nfs/dbraw/zinc/37/15/47/543371547.db2.gz BTTHSDCYVMROIJ-WJFTUGDTSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000453328207 543371551 /nfs/dbraw/zinc/37/15/51/543371551.db2.gz BTTHSDCYVMROIJ-WJFTUGDTSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@@H]1CC[C@@H](C)[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000249357549 146194411 /nfs/dbraw/zinc/19/44/11/146194411.db2.gz RTAYCSFJPGMDCC-JFIYKMOQSA-N 2 1 317.477 2.526 20 0 DFADMP CSC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459801 146197971 /nfs/dbraw/zinc/19/79/71/146197971.db2.gz OQNMWUQNELOTQO-RYQLBKOJSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459801 146197976 /nfs/dbraw/zinc/19/79/76/146197976.db2.gz OQNMWUQNELOTQO-RYQLBKOJSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459801 146197979 /nfs/dbraw/zinc/19/79/79/146197979.db2.gz OQNMWUQNELOTQO-RYQLBKOJSA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000249459801 146197983 /nfs/dbraw/zinc/19/79/83/146197983.db2.gz OQNMWUQNELOTQO-RYQLBKOJSA-N 2 1 322.518 2.695 20 0 DFADMP O[C@H]1CCCC[C@@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000250127773 146209888 /nfs/dbraw/zinc/20/98/88/146209888.db2.gz WOBKMHWOVIVDIS-KNJMJIDISA-N 2 1 314.473 2.790 20 0 DFADMP CC[N@@H+](CC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000261549716 146239555 /nfs/dbraw/zinc/23/95/55/146239555.db2.gz PCFDUKGRRMXQLN-LJQANCHMSA-N 2 1 301.478 2.582 20 0 DFADMP [NH3+]C1CCC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000261552499 146239737 /nfs/dbraw/zinc/23/97/37/146239737.db2.gz RNXLMPRIRNDASO-AABGDIPYSA-N 3 1 313.489 2.757 20 0 DFADMP Cc1ccc2ncc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)n2c1 ZINC000261615795 146246855 /nfs/dbraw/zinc/24/68/55/146246855.db2.gz BGVQGVCVUKIQKX-MJGOQNOKSA-N 2 1 320.440 2.817 20 0 DFADMP Cc1ccc(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)cc1F ZINC000261619611 146248397 /nfs/dbraw/zinc/24/83/97/146248397.db2.gz ARPQRPYJKHGCNR-QGZVFWFLSA-N 2 1 319.424 2.537 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[NH+]1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000261640785 146252373 /nfs/dbraw/zinc/25/23/73/146252373.db2.gz DBULAEBYZHBORO-KRWDZBQOSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@H](c1nc(C2(N)CCCC2)no1)N1CCc2ccccc2C1 ZINC000261677635 146258446 /nfs/dbraw/zinc/25/84/46/146258446.db2.gz GQVVYRJZPGWQLR-CYBMUJFWSA-N 2 1 312.417 2.917 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000261710939 146263790 /nfs/dbraw/zinc/26/37/90/146263790.db2.gz PBTGIHRLJJOZKX-DRZSPHRISA-N 2 1 310.825 2.526 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000261710939 146263792 /nfs/dbraw/zinc/26/37/92/146263792.db2.gz PBTGIHRLJJOZKX-DRZSPHRISA-N 2 1 310.825 2.526 20 0 DFADMP Fc1ccccc1CO[C@H]1CCC[N@@H+](C[C@H]2CCC[NH2+]C2)C1 ZINC000261747445 146269762 /nfs/dbraw/zinc/26/97/62/146269762.db2.gz BWZDFKJTGAJGOU-RDJZCZTQSA-N 2 1 306.425 2.806 20 0 DFADMP Cc1ccc(C)c(NC(=O)C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000261754639 146270324 /nfs/dbraw/zinc/27/03/24/146270324.db2.gz PHRROGLSCGGQBM-QGZVFWFLSA-N 2 1 315.461 2.706 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cccc(OC(F)(F)F)c3)C[C@H]12 ZINC000261773623 146274631 /nfs/dbraw/zinc/27/46/31/146274631.db2.gz WFDPWWWRSOESFJ-KWCYVHTRSA-N 2 1 300.324 2.754 20 0 DFADMP NCC[N@@H+](CCc1ccccc1)Cc1ccc(-n2cccn2)cc1 ZINC000261786780 146276281 /nfs/dbraw/zinc/27/62/81/146276281.db2.gz PYRBQBLGNXLFTE-UHFFFAOYSA-N 2 1 320.440 2.876 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)C1 ZINC000261794456 146277647 /nfs/dbraw/zinc/27/76/47/146277647.db2.gz GLUYTXVGEOFDBF-HNNXBMFYSA-N 2 1 316.424 2.631 20 0 DFADMP Fc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1Cl ZINC000261877214 146293336 /nfs/dbraw/zinc/29/33/36/146293336.db2.gz DUMZDLGEMAQYHB-APHBMKBZSA-N 2 1 312.816 2.726 20 0 DFADMP C[N@@H+](C[C@]1(C)CC[NH2+]C1)[C@H]1CCO[C@H](c2ccc(F)cc2)C1 ZINC000261881834 146294974 /nfs/dbraw/zinc/29/49/74/146294974.db2.gz RCOHASOUYKRSHB-OKZBNKHCSA-N 2 1 306.425 2.977 20 0 DFADMP Cc1cc(C)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000261882735 146295158 /nfs/dbraw/zinc/29/51/58/146295158.db2.gz FOXAEVXSACOHJS-AQNXPRMDSA-N 2 1 316.489 2.901 20 0 DFADMP Cc1cc(C)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)c(C)c1 ZINC000261882737 146295470 /nfs/dbraw/zinc/29/54/70/146295470.db2.gz FOXAEVXSACOHJS-XUVXKRRUSA-N 2 1 316.489 2.901 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1F ZINC000261892907 146296288 /nfs/dbraw/zinc/29/62/88/146296288.db2.gz GVFKZDFKGZHEIR-XGWTYTTDSA-N 2 1 324.415 2.815 20 0 DFADMP C[C@@]1(C[N@H+]2CCCN(Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261907094 146298847 /nfs/dbraw/zinc/29/88/47/146298847.db2.gz XIQCZTUNWCDCFO-GOSISDBHSA-N 2 1 321.896 2.847 20 0 DFADMP C[C@@]1(CN2CCC[N@H+](Cc3ccc(Cl)cc3)CC2)CC[NH2+]C1 ZINC000261907094 146298852 /nfs/dbraw/zinc/29/88/52/146298852.db2.gz XIQCZTUNWCDCFO-GOSISDBHSA-N 2 1 321.896 2.847 20 0 DFADMP CC[N@@H+](Cc1ccc2c(c1)sc(=O)n2C)[C@H]1CCC[NH2+]CC1 ZINC000261930728 146304555 /nfs/dbraw/zinc/30/45/55/146304555.db2.gz LOGLRFBMRMUHHQ-AWEZNQCLSA-N 2 1 319.474 2.564 20 0 DFADMP Fc1cccc(C2(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)CC2)c1 ZINC000261934889 146305857 /nfs/dbraw/zinc/30/58/57/146305857.db2.gz MDOZFFJFWJELSV-KURKYZTESA-N 2 1 318.436 2.604 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261942423 146307723 /nfs/dbraw/zinc/30/77/23/146307723.db2.gz UXUKOFFOAYIZNY-XIRDDKMYSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000261942423 146307724 /nfs/dbraw/zinc/30/77/24/146307724.db2.gz UXUKOFFOAYIZNY-XIRDDKMYSA-N 2 1 315.461 2.808 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2nc(-c3ccc(Cl)cc3)no2)CC1 ZINC000261949634 146308497 /nfs/dbraw/zinc/30/84/97/146308497.db2.gz MTXUNBKYBSUMBG-UHFFFAOYSA-N 2 1 320.824 2.821 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000261950936 146308536 /nfs/dbraw/zinc/30/85/36/146308536.db2.gz MXNSKWPDECOPQK-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2ccc(OC)c(OC(F)F)c2)C1 ZINC000261950936 146308541 /nfs/dbraw/zinc/30/85/41/146308541.db2.gz MXNSKWPDECOPQK-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)c1ccc(F)cc1 ZINC000261952236 146309083 /nfs/dbraw/zinc/30/90/83/146309083.db2.gz OMGRSSCKCSJROX-PILAGYSTSA-N 2 1 306.425 2.676 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000261958674 146310170 /nfs/dbraw/zinc/31/01/70/146310170.db2.gz OYHDNSFKCLESRG-GFCCVEGCSA-N 2 1 310.825 2.687 20 0 DFADMP C[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1Cl ZINC000261980817 146315958 /nfs/dbraw/zinc/31/59/58/146315958.db2.gz RHFQXEITOGOAOB-KGLIPLIRSA-N 2 1 323.868 2.578 20 0 DFADMP C[C@@]1(C[N@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]C1 ZINC000261995920 146318791 /nfs/dbraw/zinc/31/87/91/146318791.db2.gz KULSLVYVIDSOKV-LJQANCHMSA-N 2 1 310.445 2.521 20 0 DFADMP C[C@@]1(C[N@@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]C1 ZINC000261995920 146318794 /nfs/dbraw/zinc/31/87/94/146318794.db2.gz KULSLVYVIDSOKV-LJQANCHMSA-N 2 1 310.445 2.521 20 0 DFADMP C[C@H]1C[N@@H+](CC2CC[NH2+]CC2)[C@@H](C)CN1Cc1ccccc1 ZINC000262014960 146322252 /nfs/dbraw/zinc/32/22/52/146322252.db2.gz VPRKJQXDSGLVAM-IRXDYDNUSA-N 2 1 301.478 2.581 20 0 DFADMP CSc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000262014667 146322323 /nfs/dbraw/zinc/32/23/23/146322323.db2.gz VWWINWJTUPAYCQ-BBWFWOEESA-N 2 1 306.475 2.655 20 0 DFADMP C[C@H](C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1)C1C[NH2+]C1 ZINC000262029859 146324751 /nfs/dbraw/zinc/32/47/51/146324751.db2.gz BJORTWMFGHTXNC-GJZGRUSLSA-N 2 1 315.461 2.713 20 0 DFADMP C[N@@H+](CC1CC[NH2+]CC1)[C@H]1CCO[C@@H](c2ccc(F)cc2)C1 ZINC000262052769 146327304 /nfs/dbraw/zinc/32/73/04/146327304.db2.gz ZVTODQMFEBPQQT-ZWKOTPCHSA-N 2 1 306.425 2.977 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000262060580 146328409 /nfs/dbraw/zinc/32/84/09/146328409.db2.gz RCXIFEBDPFRJBD-GOSISDBHSA-N 2 1 302.466 2.653 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000262060580 146328412 /nfs/dbraw/zinc/32/84/12/146328412.db2.gz RCXIFEBDPFRJBD-GOSISDBHSA-N 2 1 302.466 2.653 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000262060581 146328468 /nfs/dbraw/zinc/32/84/68/146328468.db2.gz RCXIFEBDPFRJBD-SFHVURJKSA-N 2 1 302.466 2.653 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c(C2CCCCC2)n1 ZINC000262060581 146328471 /nfs/dbraw/zinc/32/84/71/146328471.db2.gz RCXIFEBDPFRJBD-SFHVURJKSA-N 2 1 302.466 2.653 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC4(C3)CC[NH2+]CC4)c2)cn1 ZINC000262068805 146330178 /nfs/dbraw/zinc/33/01/78/146330178.db2.gz RWUFXLVZXHYWNY-UHFFFAOYSA-N 2 1 302.447 2.509 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccn(-c3ccc(F)cc3F)n2)CC1 ZINC000262086908 146331941 /nfs/dbraw/zinc/33/19/41/146331941.db2.gz GGFFOHCFJAJULH-LBPRGKRZSA-N 2 1 320.387 2.710 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC000262112350 146334318 /nfs/dbraw/zinc/33/43/18/146334318.db2.gz WNMYSZYKSGOLDN-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@]4(CC[NH2+]C4)C3)cc2)nc1 ZINC000262112350 146334321 /nfs/dbraw/zinc/33/43/21/146334321.db2.gz WNMYSZYKSGOLDN-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262109324 146334477 /nfs/dbraw/zinc/33/44/77/146334477.db2.gz WGVUQGWYLRNBSS-UHFFFAOYSA-N 2 1 322.836 2.702 20 0 DFADMP C[N@@H+](Cc1ccc(OC[C@@H]2CCCO2)cc1)CC(C)(C)C[NH3+] ZINC000262116269 146336005 /nfs/dbraw/zinc/33/60/05/146336005.db2.gz LJECRDZPSSSMMS-KRWDZBQOSA-N 2 1 306.450 2.661 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)ccc1OC(F)F ZINC000262323498 146351506 /nfs/dbraw/zinc/35/15/06/146351506.db2.gz RIUJWCNOTDMYOM-YPMHNXCESA-N 2 1 314.376 2.856 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000262367058 146354872 /nfs/dbraw/zinc/35/48/72/146354872.db2.gz XDZNVUFTUIHFRR-UBHSHLNASA-N 2 1 324.852 2.916 20 0 DFADMP COc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)c(Cl)c1OC ZINC000262367058 146354873 /nfs/dbraw/zinc/35/48/73/146354873.db2.gz XDZNVUFTUIHFRR-UBHSHLNASA-N 2 1 324.852 2.916 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000262449752 146361345 /nfs/dbraw/zinc/36/13/45/146361345.db2.gz HPIWRVWBGZTBFI-JKSUJKDBSA-N 2 1 306.450 2.771 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)[C@H]1C ZINC000354571121 147082755 /nfs/dbraw/zinc/08/27/55/147082755.db2.gz LKHLSAAWQKCDCV-MHORFTMASA-N 2 1 324.509 2.922 20 0 DFADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000354849819 147175686 /nfs/dbraw/zinc/17/56/86/147175686.db2.gz MAQCTGBHWFYAID-DOTOQJQBSA-N 2 1 317.477 2.526 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CC2 ZINC000526041100 543429169 /nfs/dbraw/zinc/42/91/69/543429169.db2.gz GNILGZSOPTZGFG-CZUORRHYSA-N 2 1 304.434 2.623 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000355216399 147225104 /nfs/dbraw/zinc/22/51/04/147225104.db2.gz FIAWOEVUFLUNPS-AQNXPRMDSA-N 2 1 314.473 2.859 20 0 DFADMP COc1c(O)cccc1C[N@H+]1CCC[C@H](Cc2nccn2C)C1 ZINC000355360817 147283896 /nfs/dbraw/zinc/28/38/96/147283896.db2.gz FTJZCCWBNGUSHB-CQSZACIVSA-N 2 1 315.417 2.589 20 0 DFADMP Cc1cc(NC(=O)C2CC[NH+](C(C)C)CC2)cn2cc[nH+]c12 ZINC000355403890 147302103 /nfs/dbraw/zinc/30/21/03/147302103.db2.gz PEEVSPWOJCDIQZ-UHFFFAOYSA-N 2 1 300.406 2.702 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)c1 ZINC000350092481 286003517 /nfs/dbraw/zinc/00/35/17/286003517.db2.gz RKIOKVFBCJQTDF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)c1 ZINC000350092481 286003519 /nfs/dbraw/zinc/00/35/19/286003519.db2.gz RKIOKVFBCJQTDF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000350092481 286003521 /nfs/dbraw/zinc/00/35/21/286003521.db2.gz RKIOKVFBCJQTDF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000350092481 286003524 /nfs/dbraw/zinc/00/35/24/286003524.db2.gz RKIOKVFBCJQTDF-GOSISDBHSA-N 2 1 315.461 2.809 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000296727920 286016555 /nfs/dbraw/zinc/01/65/55/286016555.db2.gz IGEQMCRGTOPPCK-IPMKNSEASA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000296727920 286016557 /nfs/dbraw/zinc/01/65/57/286016557.db2.gz IGEQMCRGTOPPCK-IPMKNSEASA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000296727920 286016558 /nfs/dbraw/zinc/01/65/58/286016558.db2.gz IGEQMCRGTOPPCK-IPMKNSEASA-N 2 1 302.462 2.660 20 0 DFADMP C[C@@H](C(=O)N(C)CC[N@@H+](C)C1CCCCC1)[NH+]1CCCCCC1 ZINC000357918614 148175231 /nfs/dbraw/zinc/17/52/31/148175231.db2.gz UJKSHFNZOJYGNH-KRWDZBQOSA-N 2 1 323.525 2.974 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000358002957 148207008 /nfs/dbraw/zinc/20/70/08/148207008.db2.gz HZLOETWZCIEOSZ-LMMKCTJWSA-N 2 1 312.461 2.772 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000358002957 148207011 /nfs/dbraw/zinc/20/70/11/148207011.db2.gz HZLOETWZCIEOSZ-LMMKCTJWSA-N 2 1 312.461 2.772 20 0 DFADMP C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621335155 543482845 /nfs/dbraw/zinc/48/28/45/543482845.db2.gz CTBQRJAUJJHOIF-SFHVURJKSA-N 2 1 312.461 2.557 20 0 DFADMP C[N@H+]1CCC[C@@H](C[NH2+]Cc2ccnn2CCc2ccccc2)C1 ZINC000621335155 543482848 /nfs/dbraw/zinc/48/28/48/543482848.db2.gz CTBQRJAUJJHOIF-SFHVURJKSA-N 2 1 312.461 2.557 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](C)C[C@@H]2C)c1 ZINC000358067080 148231426 /nfs/dbraw/zinc/23/14/26/148231426.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)c1 ZINC000358067080 148231431 /nfs/dbraw/zinc/23/14/31/148231431.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@@H]2C)c1 ZINC000358067080 148231436 /nfs/dbraw/zinc/23/14/36/148231436.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 3 1 303.494 2.957 20 0 DFADMP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)c1 ZINC000358067080 148231438 /nfs/dbraw/zinc/23/14/38/148231438.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CCN(C)C[C@@H]2C)c1 ZINC000358067080 148231441 /nfs/dbraw/zinc/23/14/41/148231441.db2.gz WGZIWECNGXFCAR-LPHOPBHVSA-N 2 1 303.494 2.957 20 0 DFADMP COc1cccc(COCC[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000358221578 148290617 /nfs/dbraw/zinc/29/06/17/148290617.db2.gz GYKHDYOKWPZLTJ-RLFYNMQTSA-N 2 1 306.450 2.530 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCOCc2cccc(OC)c2)[C@@H](C)C1 ZINC000358239810 148298589 /nfs/dbraw/zinc/29/85/89/148298589.db2.gz ZOEFIKPFZWHDSI-YJBOKZPZSA-N 2 1 306.450 2.532 20 0 DFADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1cc(F)c(Cl)cc1Cl ZINC000358265308 148310986 /nfs/dbraw/zinc/31/09/86/148310986.db2.gz ZNNFWIAYOVJXLC-OTYXRUKQSA-N 2 1 321.223 2.850 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC[C@H](C)[S@](C)=O)cc1 ZINC000358309803 148323183 /nfs/dbraw/zinc/32/31/83/148323183.db2.gz XQMFQWHYOLJPAO-OKHZJLECSA-N 2 1 319.474 2.988 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccc(OC)cc2)C1 ZINC000350364900 286032308 /nfs/dbraw/zinc/03/23/08/286032308.db2.gz KAVSUOQSICJJOO-LJQANCHMSA-N 2 1 320.477 2.670 20 0 DFADMP O=C(CC[N@H+]1CCC2(C1)CC[NH2+]CC2)Nc1ccccc1Cl ZINC000358502569 148380486 /nfs/dbraw/zinc/38/04/86/148380486.db2.gz WASURPXILPOWHQ-UHFFFAOYSA-N 2 1 321.852 2.744 20 0 DFADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000358516023 148382129 /nfs/dbraw/zinc/38/21/29/148382129.db2.gz NUURFBWOJGPFQL-AWEZNQCLSA-N 2 1 312.417 2.873 20 0 DFADMP C[C@H](CN[C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[NH+](C)C ZINC000358560548 148386442 /nfs/dbraw/zinc/38/64/42/148386442.db2.gz FCVBSTKSTZQPRH-VBSBHUPXSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000358560548 148386445 /nfs/dbraw/zinc/38/64/45/148386445.db2.gz FCVBSTKSTZQPRH-VBSBHUPXSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)N(C)C ZINC000358560548 148386448 /nfs/dbraw/zinc/38/64/48/148386448.db2.gz FCVBSTKSTZQPRH-VBSBHUPXSA-N 2 1 315.505 2.827 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)[C@@H](COC)Cc1ccccc1 ZINC000359185548 148592580 /nfs/dbraw/zinc/59/25/80/148592580.db2.gz FTFWMJSLKPZGLC-LJQANCHMSA-N 2 1 304.478 2.956 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC(C)(C)C2)[C@@H](C)C1 ZINC000358251470 286063998 /nfs/dbraw/zinc/06/39/98/286063998.db2.gz MONYVZFUBRDOCK-BBWFWOEESA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C3CCCCC3)CC2)C1 ZINC000660010313 543524068 /nfs/dbraw/zinc/52/40/68/543524068.db2.gz JHRQTOTVWRRFNJ-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[N@@H+](CCCc2ccsc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361096645 149027494 /nfs/dbraw/zinc/02/74/94/149027494.db2.gz MHNKWSDSZBXPBZ-AEFFLSMTSA-N 2 1 321.534 2.639 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2cccc(F)c2OC(F)F)C1 ZINC000662271409 543535021 /nfs/dbraw/zinc/53/50/21/543535021.db2.gz FSEQBCCUBFCSON-LLVKDONJSA-N 2 1 302.340 2.988 20 0 DFADMP CCC[C@H](C)[C@H](CC)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000361341582 149089857 /nfs/dbraw/zinc/08/98/57/149089857.db2.gz PLQNBCUYBZHVJZ-RDJZCZTQSA-N 2 1 311.514 2.734 20 0 DFADMP CC[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(OC)c1 ZINC000361352568 149095346 /nfs/dbraw/zinc/09/53/46/149095346.db2.gz QQZWFTIKIUQRGK-HKUYNNGSSA-N 2 1 320.477 2.973 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(O)[C@@H](C)CC)[C@@H](C)C1 ZINC000361398624 149105703 /nfs/dbraw/zinc/10/57/03/149105703.db2.gz ABJBKYGPCFBIJD-XSLAGTTESA-N 2 1 314.514 2.510 20 0 DFADMP CCOC[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000361460238 149122034 /nfs/dbraw/zinc/12/20/34/149122034.db2.gz UBJCKWLAJCYRDI-OAHLLOKOSA-N 2 1 308.441 2.847 20 0 DFADMP CCN(C)c1ccc(CN(C)[C@H]2CC[N@@H+](CC)[C@@H](C)C2)cn1 ZINC000361562205 149148726 /nfs/dbraw/zinc/14/87/26/149148726.db2.gz APJGCWBZNUHCDH-RDJZCZTQSA-N 2 1 304.482 2.842 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763746 149213105 /nfs/dbraw/zinc/21/31/05/149213105.db2.gz FWUCONMAEXGCKM-RYRKJORJSA-N 2 1 317.477 2.657 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCOCC2)c1 ZINC000361763746 149213107 /nfs/dbraw/zinc/21/31/07/149213107.db2.gz FWUCONMAEXGCKM-RYRKJORJSA-N 2 1 317.477 2.657 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCc3cccnc3)C1)CCCC2 ZINC000361843421 149235163 /nfs/dbraw/zinc/23/51/63/149235163.db2.gz PVBFWBGJHNYODE-QGZVFWFLSA-N 2 1 310.445 2.955 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCc3cccnc3)C1)CCCC2 ZINC000361843421 149235164 /nfs/dbraw/zinc/23/51/64/149235164.db2.gz PVBFWBGJHNYODE-QGZVFWFLSA-N 2 1 310.445 2.955 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@H+]1[C@@H](C)C(=O)N(C)C(C)C ZINC000361942157 149262976 /nfs/dbraw/zinc/26/29/76/149262976.db2.gz VHOWPOMXVXTLPP-JKSUJKDBSA-N 2 1 320.481 2.726 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCC[N@@H+]1[C@@H](C)C(=O)N(C)C(C)C ZINC000361942157 149262977 /nfs/dbraw/zinc/26/29/77/149262977.db2.gz VHOWPOMXVXTLPP-JKSUJKDBSA-N 2 1 320.481 2.726 20 0 DFADMP Cc1cccc(N(C)C[C@H]2CCC[N@H+](C)[C@H]2c2cnn(C)c2)[nH+]1 ZINC000362682668 149341971 /nfs/dbraw/zinc/34/19/71/149341971.db2.gz FLJQKROVXUSEEO-CRAIPNDOSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cccc(N(C)C[C@H]2CCC[N@@H+](C)[C@H]2c2cnn(C)c2)[nH+]1 ZINC000362682668 149341973 /nfs/dbraw/zinc/34/19/73/149341973.db2.gz FLJQKROVXUSEEO-CRAIPNDOSA-N 2 1 313.449 2.643 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000362881685 149388109 /nfs/dbraw/zinc/38/81/09/149388109.db2.gz ZOJMNXIJTLDWHL-QAPCUYQASA-N 2 1 306.425 2.585 20 0 DFADMP Cc1cc(F)ccc1[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000362881685 149388111 /nfs/dbraw/zinc/38/81/11/149388111.db2.gz ZOJMNXIJTLDWHL-QAPCUYQASA-N 2 1 306.425 2.585 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000362925276 149398701 /nfs/dbraw/zinc/39/87/01/149398701.db2.gz HMQPRLXOUWJQNJ-SOLBZPMBSA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362925276 149398703 /nfs/dbraw/zinc/39/87/03/149398703.db2.gz HMQPRLXOUWJQNJ-SOLBZPMBSA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000362925276 149398707 /nfs/dbraw/zinc/39/87/07/149398707.db2.gz HMQPRLXOUWJQNJ-SOLBZPMBSA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@H]2C1 ZINC000362925275 149399356 /nfs/dbraw/zinc/39/93/56/149399356.db2.gz HMQPRLXOUWJQNJ-RYRKJORJSA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362925275 149399360 /nfs/dbraw/zinc/39/93/60/149399360.db2.gz HMQPRLXOUWJQNJ-RYRKJORJSA-N 2 1 324.472 2.532 20 0 DFADMP Cn1c2ccccc2nc1CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1 ZINC000362925275 149399363 /nfs/dbraw/zinc/39/93/63/149399363.db2.gz HMQPRLXOUWJQNJ-RYRKJORJSA-N 2 1 324.472 2.532 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3C[C@@H]4C[NH+]5CCCC[C@@H]5[C@@H]4C3)cc2)cn1 ZINC000362925519 149399645 /nfs/dbraw/zinc/39/96/45/149399645.db2.gz JVCDUAZNIZOUJG-MISYRCLQSA-N 2 1 322.456 2.788 20 0 DFADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[N@@H+]5CCCC[C@@H]5[C@@H]4C3)cc2)cn1 ZINC000362925519 149399646 /nfs/dbraw/zinc/39/96/46/149399646.db2.gz JVCDUAZNIZOUJG-MISYRCLQSA-N 2 1 322.456 2.788 20 0 DFADMP c1cn(-c2ccc(C[NH+]3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)cc2)cn1 ZINC000362925519 149399647 /nfs/dbraw/zinc/39/96/47/149399647.db2.gz JVCDUAZNIZOUJG-MISYRCLQSA-N 2 1 322.456 2.788 20 0 DFADMP FC(F)Oc1cccc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c1 ZINC000366790214 149493271 /nfs/dbraw/zinc/49/32/71/149493271.db2.gz KHAVEFYIBFQTIH-ZDUSSCGKSA-N 2 1 307.344 2.837 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000351336753 286121874 /nfs/dbraw/zinc/12/18/74/286121874.db2.gz ZYFTUWJKBKCEMA-MJGOQNOKSA-N 2 1 324.509 2.911 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(OC[C@H]2CCCCO2)CC1 ZINC000351336752 286121959 /nfs/dbraw/zinc/12/19/59/286121959.db2.gz ZYFTUWJKBKCEMA-IEBWSBKVSA-N 2 1 324.509 2.911 20 0 DFADMP CCC[N@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000351474651 286129461 /nfs/dbraw/zinc/12/94/61/286129461.db2.gz GRARDNDPWWNWHP-PKOBYXMFSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000351474651 286129463 /nfs/dbraw/zinc/12/94/63/286129463.db2.gz GRARDNDPWWNWHP-PKOBYXMFSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000351474651 286129467 /nfs/dbraw/zinc/12/94/67/286129467.db2.gz GRARDNDPWWNWHP-PKOBYXMFSA-N 2 1 302.462 2.841 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C1CC1)[C@@H]1CCc2ccccc21 ZINC000351474651 286129469 /nfs/dbraw/zinc/12/94/69/286129469.db2.gz GRARDNDPWWNWHP-PKOBYXMFSA-N 2 1 302.462 2.841 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351477141 286129756 /nfs/dbraw/zinc/12/97/56/286129756.db2.gz MJSBOBQBPXSOMZ-RCCFBDPRSA-N 2 1 323.525 2.576 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351477141 286129758 /nfs/dbraw/zinc/12/97/58/286129758.db2.gz MJSBOBQBPXSOMZ-RCCFBDPRSA-N 2 1 323.525 2.576 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccc(OCc4cccnc4)cc3)C[C@@H]12 ZINC000351480898 286131111 /nfs/dbraw/zinc/13/11/11/286131111.db2.gz WGJADRQAQBNMIC-DFQSSKMNSA-N 2 1 323.440 2.830 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351490666 286134030 /nfs/dbraw/zinc/13/40/30/286134030.db2.gz IRVAPTMMMHOHFZ-NZBPQXDJSA-N 2 1 321.852 2.645 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351490666 286134032 /nfs/dbraw/zinc/13/40/32/286134032.db2.gz IRVAPTMMMHOHFZ-NZBPQXDJSA-N 2 1 321.852 2.645 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000351494515 286135366 /nfs/dbraw/zinc/13/53/66/286135366.db2.gz NZNONUPTFSPMJB-IBGZPJMESA-N 2 1 320.452 2.535 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CCC(Cc2ccc(F)cc2)CC1)C1CC1 ZINC000351494515 286135369 /nfs/dbraw/zinc/13/53/69/286135369.db2.gz NZNONUPTFSPMJB-IBGZPJMESA-N 2 1 320.452 2.535 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(-c4ccc(F)cc4)no3)C[C@H]12 ZINC000351495932 286135702 /nfs/dbraw/zinc/13/57/02/286135702.db2.gz QDWILTGATYCTRV-UHOFOFEASA-N 2 1 301.365 2.650 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)C1CCN(c2ccccn2)CC1 ZINC000371199112 150000789 /nfs/dbraw/zinc/00/07/89/150000789.db2.gz RGPZIUAUPJILBX-UHFFFAOYSA-N 2 1 313.449 2.577 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)C1CCN(c2ccccn2)CC1 ZINC000371199112 150000791 /nfs/dbraw/zinc/00/07/91/150000791.db2.gz RGPZIUAUPJILBX-UHFFFAOYSA-N 2 1 313.449 2.577 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000371280291 150014429 /nfs/dbraw/zinc/01/44/29/150014429.db2.gz OQRMRMYLZWPHGL-KZNAEPCWSA-N 2 1 315.461 2.552 20 0 DFADMP Cc1noc(C)c1C[NH+]1CCC2(C[C@H]2C[N@H+](C)C2CC2)CC1 ZINC000371329342 150023369 /nfs/dbraw/zinc/02/33/69/150023369.db2.gz HNMCJAONIVTMPU-HNNXBMFYSA-N 2 1 303.450 2.988 20 0 DFADMP CCOC(=O)[C@H](CC)[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000371329287 150023593 /nfs/dbraw/zinc/02/35/93/150023593.db2.gz GSGLJCZQRIXXMJ-HOCLYGCPSA-N 2 1 308.466 2.524 20 0 DFADMP CN(CCn1ccnc1)Cc1cnn(-c2cccc(Cl)c2)c1 ZINC000371388078 150037482 /nfs/dbraw/zinc/03/74/82/150037482.db2.gz HUSSTFWZPCECET-UHFFFAOYSA-N 2 1 315.808 2.854 20 0 DFADMP Cc1cccc2ncc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)n21 ZINC000371403594 150039945 /nfs/dbraw/zinc/03/99/45/150039945.db2.gz VCHSEMCEHFEZCN-NXHRZFHOSA-N 2 1 310.445 2.559 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1CN1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371403029 150040762 /nfs/dbraw/zinc/04/07/62/150040762.db2.gz HSLZRMDBUFVKPQ-CEXWTWQISA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371403029 150040763 /nfs/dbraw/zinc/04/07/63/150040763.db2.gz HSLZRMDBUFVKPQ-CEXWTWQISA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@@H]3[C@H]2C1 ZINC000371403029 150040765 /nfs/dbraw/zinc/04/07/65/150040765.db2.gz HSLZRMDBUFVKPQ-CEXWTWQISA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371403029 150040768 /nfs/dbraw/zinc/04/07/68/150040768.db2.gz HSLZRMDBUFVKPQ-CEXWTWQISA-N 2 1 322.456 2.993 20 0 DFADMP c1[nH]nc(-c2ccccc2)c1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000371403029 150040770 /nfs/dbraw/zinc/04/07/70/150040770.db2.gz HSLZRMDBUFVKPQ-CEXWTWQISA-N 2 1 322.456 2.993 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2-c2cnn(C)c2)[C@@H](C)C1 ZINC000371433549 150046327 /nfs/dbraw/zinc/04/63/27/150046327.db2.gz XIBVSJJPJMRHGC-HNAYVOBHSA-N 2 1 312.461 2.907 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000371449758 150048581 /nfs/dbraw/zinc/04/85/81/150048581.db2.gz XAUJUIISCPFAMS-CKUJCDMFSA-N 2 1 304.438 2.621 20 0 DFADMP Cc1noc(C2CCC([NH2+][C@@H]3C[C@H](C)[N@H+](C)C[C@@H]3C)CC2)n1 ZINC000371449889 150048913 /nfs/dbraw/zinc/04/89/13/150048913.db2.gz IWGOJKXJONLRDQ-IGTKTAFCSA-N 2 1 306.454 2.723 20 0 DFADMP Cc1cccc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)c1C ZINC000371470422 150052243 /nfs/dbraw/zinc/05/22/43/150052243.db2.gz LIELCTHPYSIOKH-GBESFXJTSA-N 2 1 302.462 2.987 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000371727771 150087823 /nfs/dbraw/zinc/08/78/23/150087823.db2.gz LSZQNDAYFOPQKH-WFASDCNBSA-N 2 1 305.397 2.531 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(OC)ccc32)C1 ZINC000371877199 150107061 /nfs/dbraw/zinc/10/70/61/150107061.db2.gz TXIXNKKAEKXWEY-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]CCC[C@H]1CCCCO1 ZINC000371889659 150110187 /nfs/dbraw/zinc/11/01/87/150110187.db2.gz ZCAYLMYUYZSXEI-AKHDSKFASA-N 2 1 324.509 2.815 20 0 DFADMP CCc1ccccc1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000372460096 150176099 /nfs/dbraw/zinc/17/60/99/150176099.db2.gz MIEMMQRCFSFAKL-GOSISDBHSA-N 2 1 315.505 2.708 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351604900 286166886 /nfs/dbraw/zinc/16/68/86/286166886.db2.gz FUCFVAPIYSPIKG-RLLQIKCJSA-N 2 1 316.489 2.833 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1Cc1ccccc1)C1CC1 ZINC000351604900 286166889 /nfs/dbraw/zinc/16/68/89/286166889.db2.gz FUCFVAPIYSPIKG-RLLQIKCJSA-N 2 1 316.489 2.833 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@H]3CCC=CO3)CC2)nc(C)[nH+]1 ZINC000372944405 150205413 /nfs/dbraw/zinc/20/54/13/150205413.db2.gz AUGNICLKKYVPDL-QGZVFWFLSA-N 2 1 316.449 2.687 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[C@H]3CCC=CO3)CC2)nc(C)[nH+]1 ZINC000372944405 150205416 /nfs/dbraw/zinc/20/54/16/150205416.db2.gz AUGNICLKKYVPDL-QGZVFWFLSA-N 2 1 316.449 2.687 20 0 DFADMP CCCCN(C)C(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351617747 286171433 /nfs/dbraw/zinc/17/14/33/286171433.db2.gz ZQOKSOWSSHHIHG-GOSISDBHSA-N 2 1 323.525 2.831 20 0 DFADMP COC(=O)CC[N@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000374066909 150302457 /nfs/dbraw/zinc/30/24/57/150302457.db2.gz QURGYBPRPMSAQR-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000374066909 150302461 /nfs/dbraw/zinc/30/24/61/150302461.db2.gz QURGYBPRPMSAQR-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP COC(=O)CC[NH+]1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000374066909 150302464 /nfs/dbraw/zinc/30/24/64/150302464.db2.gz QURGYBPRPMSAQR-LJQANCHMSA-N 2 1 316.445 2.538 20 0 DFADMP CC[C@@H](C)C(=O)N(C)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000374202797 150320712 /nfs/dbraw/zinc/32/07/12/150320712.db2.gz ZZPKULYQUUEXIB-MRXNPFEDSA-N 2 1 323.525 2.687 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CCC13CCOCC3)C2 ZINC000374320325 150344191 /nfs/dbraw/zinc/34/41/91/150344191.db2.gz HUKGXASLCNCBTP-IBGZPJMESA-N 2 1 314.473 2.984 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CCC13CCOCC3)C2 ZINC000374320325 150344195 /nfs/dbraw/zinc/34/41/95/150344195.db2.gz HUKGXASLCNCBTP-IBGZPJMESA-N 2 1 314.473 2.984 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[N@H+]2CCC[C@@H](CN3CCOCC3)C2)o1 ZINC000374347954 150349682 /nfs/dbraw/zinc/34/96/82/150349682.db2.gz FPMKXHCTQWNLNU-XYJFISCASA-N 2 1 318.461 2.947 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CCO1 ZINC000375039778 150390383 /nfs/dbraw/zinc/39/03/83/150390383.db2.gz NNAKJNGJFCRENK-MSOLQXFVSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000351857246 286233258 /nfs/dbraw/zinc/23/32/58/286233258.db2.gz XBKBZIKDTOHWOH-YPMHNXCESA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859079 286233710 /nfs/dbraw/zinc/23/37/10/286233710.db2.gz ZSUMOXLUXFTNCF-YDHLFZDLSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](CC(=O)N(C)[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859079 286233712 /nfs/dbraw/zinc/23/37/12/286233712.db2.gz ZSUMOXLUXFTNCF-YDHLFZDLSA-N 2 1 323.868 2.529 20 0 DFADMP COc1cc2c(cc1OC)CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC000371325281 286258359 /nfs/dbraw/zinc/25/83/59/286258359.db2.gz DJLQQUFUGIHWNM-KRWDZBQOSA-N 2 1 318.461 2.589 20 0 DFADMP Cc1ccc([C@H](CN[C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)[NH+](C)C)cc1 ZINC000247172390 292255781 /nfs/dbraw/zinc/25/57/81/292255781.db2.gz YRAGCCDGMCXHQU-JFRXWTBNSA-N 2 1 303.494 2.916 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247172390 292255783 /nfs/dbraw/zinc/25/57/83/292255783.db2.gz YRAGCCDGMCXHQU-JFRXWTBNSA-N 2 1 303.494 2.916 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)N(C)C)cc1 ZINC000247172390 292255784 /nfs/dbraw/zinc/25/57/84/292255784.db2.gz YRAGCCDGMCXHQU-JFRXWTBNSA-N 2 1 303.494 2.916 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000352155182 286307002 /nfs/dbraw/zinc/30/70/02/286307002.db2.gz CTOOJBAQAHXNJE-IRXDYDNUSA-N 2 1 311.514 2.924 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)c1nncn1C ZINC000352325434 286344120 /nfs/dbraw/zinc/34/41/20/286344120.db2.gz RVPDVWOSMZWZMK-OAHLLOKOSA-N 2 1 313.449 2.652 20 0 DFADMP CC(C)[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352364543 286354195 /nfs/dbraw/zinc/35/41/95/286354195.db2.gz FPWGNBXUGBSCRA-QZTJIDSGSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](O)C[NH+](C)C1CC1 ZINC000352364543 286354196 /nfs/dbraw/zinc/35/41/96/286354196.db2.gz FPWGNBXUGBSCRA-QZTJIDSGSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@H](c1ccc(F)cc1)[NH+](C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000352364543 286354197 /nfs/dbraw/zinc/35/41/97/286354197.db2.gz FPWGNBXUGBSCRA-QZTJIDSGSA-N 2 1 308.441 2.910 20 0 DFADMP CC(C)[C@H](c1ccc(F)cc1)[NH+](C)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000352364543 286354199 /nfs/dbraw/zinc/35/41/99/286354199.db2.gz FPWGNBXUGBSCRA-QZTJIDSGSA-N 2 1 308.441 2.910 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000352349922 286350137 /nfs/dbraw/zinc/35/01/37/286350137.db2.gz IIZIQDMFUUGKNH-WMZOPIPTSA-N 2 1 319.493 2.790 20 0 DFADMP CC(C)[NH+](CCC[NH2+]Cc1ccc2c(c1)oc(=O)n2C)C(C)C ZINC000352661795 286433891 /nfs/dbraw/zinc/43/38/91/286433891.db2.gz VFVAIQFAYHNDOJ-UHFFFAOYSA-N 2 1 319.449 2.730 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352754866 286458686 /nfs/dbraw/zinc/45/86/86/286458686.db2.gz KNYDZNWRHXVTHL-KRWDZBQOSA-N 2 1 302.418 2.615 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCC[NH+]2CCCCC2)s1 ZINC000352761596 286460321 /nfs/dbraw/zinc/46/03/21/286460321.db2.gz CFKKDVRXNXSIAL-UHFFFAOYSA-N 3 1 324.538 2.951 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H](C)O1 ZINC000352868526 286489107 /nfs/dbraw/zinc/48/91/07/286489107.db2.gz MOHHAIDUTQZILX-BTTYYORXSA-N 2 1 311.495 2.888 20 0 DFADMP C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440255206 297148986 /nfs/dbraw/zinc/14/89/86/297148986.db2.gz MVLWNKCSHKPPLH-YVSFHVDLSA-N 2 1 309.498 2.581 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192025444 158076692 /nfs/dbraw/zinc/07/66/92/158076692.db2.gz FVVFIMYIUDDHOV-LBPRGKRZSA-N 2 1 300.805 2.741 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@H+](CCOc2ccc(Cl)c(F)c2)C1 ZINC000192025444 158076690 /nfs/dbraw/zinc/07/66/90/158076690.db2.gz FVVFIMYIUDDHOV-LBPRGKRZSA-N 2 1 300.805 2.741 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000245942414 158081417 /nfs/dbraw/zinc/08/14/17/158081417.db2.gz AXRZTCGPAHOBGJ-KKUMJFAQSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1C ZINC000245942414 158081420 /nfs/dbraw/zinc/08/14/20/158081420.db2.gz AXRZTCGPAHOBGJ-KKUMJFAQSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1C ZINC000245942414 158081421 /nfs/dbraw/zinc/08/14/21/158081421.db2.gz AXRZTCGPAHOBGJ-KKUMJFAQSA-N 2 1 320.433 2.852 20 0 DFADMP COC(=O)c1oc([C@H](C)[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1C ZINC000245942414 158081426 /nfs/dbraw/zinc/08/14/26/158081426.db2.gz AXRZTCGPAHOBGJ-KKUMJFAQSA-N 2 1 320.433 2.852 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccccc3F)C2)CC1 ZINC000245950348 158082191 /nfs/dbraw/zinc/08/21/91/158082191.db2.gz YQEPQWDLGJFESP-HZPDHXFCSA-N 2 1 305.441 2.599 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245951863 158082322 /nfs/dbraw/zinc/08/23/22/158082322.db2.gz WNPDFAMKCRACET-HQQPKKBNSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCO[C@@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245951863 158082323 /nfs/dbraw/zinc/08/23/23/158082323.db2.gz WNPDFAMKCRACET-HQQPKKBNSA-N 2 1 310.388 2.867 20 0 DFADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246281671 158083789 /nfs/dbraw/zinc/08/37/89/158083789.db2.gz AYPORONZUKWLSP-DOTOQJQBSA-N 2 1 308.466 2.669 20 0 DFADMP CCCCOC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246281671 158083792 /nfs/dbraw/zinc/08/37/92/158083792.db2.gz AYPORONZUKWLSP-DOTOQJQBSA-N 2 1 308.466 2.669 20 0 DFADMP CCCCOC(=O)CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246281671 158083796 /nfs/dbraw/zinc/08/37/96/158083796.db2.gz AYPORONZUKWLSP-DOTOQJQBSA-N 2 1 308.466 2.669 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000246870035 158103354 /nfs/dbraw/zinc/10/33/54/158103354.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000246870035 158103346 /nfs/dbraw/zinc/10/33/46/158103346.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246870035 158103348 /nfs/dbraw/zinc/10/33/48/158103348.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246870035 158103351 /nfs/dbraw/zinc/10/33/51/158103351.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 3 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[NH+](C)C[C@@H]2C)c1 ZINC000246870035 158103355 /nfs/dbraw/zinc/10/33/55/158103355.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)c1 ZINC000246870035 158103357 /nfs/dbraw/zinc/10/33/57/158103357.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000246870035 158103361 /nfs/dbraw/zinc/10/33/61/158103361.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000246870035 158103364 /nfs/dbraw/zinc/10/33/64/158103364.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@@H]2C)c1 ZINC000246870035 158103367 /nfs/dbraw/zinc/10/33/67/158103367.db2.gz CNGQMXDZHMQNAK-FRQCXROJSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246873799 158103960 /nfs/dbraw/zinc/10/39/60/158103960.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246873799 158103962 /nfs/dbraw/zinc/10/39/62/158103962.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246873799 158103964 /nfs/dbraw/zinc/10/39/64/158103964.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 3 1 303.494 2.958 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246873799 158103965 /nfs/dbraw/zinc/10/39/65/158103965.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+](CC)C[C@@H]2C)c1 ZINC000246873799 158103968 /nfs/dbraw/zinc/10/39/68/158103968.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](CC)C[C@@H]2C)c1 ZINC000246873799 158103969 /nfs/dbraw/zinc/10/39/69/158103969.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](CC)C[C@@H]2C)c1 ZINC000246873799 158103971 /nfs/dbraw/zinc/10/39/71/158103971.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)[C@@H](C)C1 ZINC000246873799 158103973 /nfs/dbraw/zinc/10/39/73/158103973.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[C@@H](C)C1 ZINC000246873799 158103976 /nfs/dbraw/zinc/10/39/76/158103976.db2.gz CSWCMFWKFPAKHS-LPHOPBHVSA-N 2 1 303.494 2.958 20 0 DFADMP CC(C)[C@H](C)[NH2+]CCCN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000246878214 158104037 /nfs/dbraw/zinc/10/40/37/158104037.db2.gz DUOSIYUMEMNATO-HKUYNNGSSA-N 2 1 303.494 2.999 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000247060839 158118427 /nfs/dbraw/zinc/11/84/27/158118427.db2.gz VJIADLCTECSSBK-MAUKXSAKSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc(OC)c1 ZINC000247060839 158118429 /nfs/dbraw/zinc/11/84/29/158118429.db2.gz VJIADLCTECSSBK-MAUKXSAKSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc(OC)c1 ZINC000247060839 158118431 /nfs/dbraw/zinc/11/84/31/158118431.db2.gz VJIADLCTECSSBK-MAUKXSAKSA-N 2 1 304.434 2.620 20 0 DFADMP COc1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc(OC)c1 ZINC000247060839 158118434 /nfs/dbraw/zinc/11/84/34/158118434.db2.gz VJIADLCTECSSBK-MAUKXSAKSA-N 2 1 304.434 2.620 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439926 158136200 /nfs/dbraw/zinc/13/62/00/158136200.db2.gz WOOJYUUHDRWBRY-SJLPKXTDSA-N 2 1 315.461 2.821 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439926 158136202 /nfs/dbraw/zinc/13/62/02/158136202.db2.gz WOOJYUUHDRWBRY-SJLPKXTDSA-N 2 1 315.461 2.821 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCC[C@@H](C(=O)Nc2ccccc2)C1 ZINC000247439926 158136204 /nfs/dbraw/zinc/13/62/04/158136204.db2.gz WOOJYUUHDRWBRY-SJLPKXTDSA-N 2 1 315.461 2.821 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)s1 ZINC000247935430 158153470 /nfs/dbraw/zinc/15/34/70/158153470.db2.gz CKGAGDXAKGEPLK-ZFWWWQNUSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)c(C)s1 ZINC000247935430 158153471 /nfs/dbraw/zinc/15/34/71/158153471.db2.gz CKGAGDXAKGEPLK-ZFWWWQNUSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000247935430 158153472 /nfs/dbraw/zinc/15/34/72/158153472.db2.gz CKGAGDXAKGEPLK-ZFWWWQNUSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)c(C)s1 ZINC000247935430 158153476 /nfs/dbraw/zinc/15/34/76/158153476.db2.gz CKGAGDXAKGEPLK-ZFWWWQNUSA-N 2 1 322.474 2.759 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000248391011 158171262 /nfs/dbraw/zinc/17/12/62/158171262.db2.gz BSAUCOLVGGGOKL-ZRGWGRIASA-N 2 1 312.461 2.999 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H]1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000248391011 158171264 /nfs/dbraw/zinc/17/12/64/158171264.db2.gz BSAUCOLVGGGOKL-ZRGWGRIASA-N 2 1 312.461 2.999 20 0 DFADMP CN1CC[C@@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666418 158195794 /nfs/dbraw/zinc/19/57/94/158195794.db2.gz NQGCXDINDADFAD-AEFFLSMTSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CC[C@@H]2CC[N@H+](CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666418 158195797 /nfs/dbraw/zinc/19/57/97/158195797.db2.gz NQGCXDINDADFAD-AEFFLSMTSA-N 2 1 300.446 2.580 20 0 DFADMP C[NH+]1CC[C@@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)[C@H]2C1 ZINC000248666418 158195798 /nfs/dbraw/zinc/19/57/98/158195798.db2.gz NQGCXDINDADFAD-AEFFLSMTSA-N 2 1 300.446 2.580 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](C[C@H]3CCC=CO3)CC2)C[C@H](C)O1 ZINC000248822615 158202365 /nfs/dbraw/zinc/20/23/65/158202365.db2.gz FJWMAJDVWRUWCU-ZIFCJYIRSA-N 2 1 322.493 2.890 20 0 DFADMP C[C@H]1C[C@H](C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)CC[NH+]1C ZINC000354886814 158240894 /nfs/dbraw/zinc/24/08/94/158240894.db2.gz QGFCHGWCLOOKEV-JKSUJKDBSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@H]1C[C@H](C(=O)NCC[N@@H+]2CC=C(C(C)(C)C)CC2)CC[NH+]1C ZINC000354886814 158240896 /nfs/dbraw/zinc/24/08/96/158240896.db2.gz QGFCHGWCLOOKEV-JKSUJKDBSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@@H](O)CCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000354878455 158240976 /nfs/dbraw/zinc/24/09/76/158240976.db2.gz GQDBDIIUVOHCGF-QGZVFWFLSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)C1CCSCC1 ZINC000355131539 158280795 /nfs/dbraw/zinc/28/07/95/158280795.db2.gz ZINZTMGUSYJFKN-HUUCEWRRSA-N 2 1 300.512 2.609 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)C1CCSCC1 ZINC000355131539 158280796 /nfs/dbraw/zinc/28/07/96/158280796.db2.gz ZINZTMGUSYJFKN-HUUCEWRRSA-N 2 1 300.512 2.609 20 0 DFADMP CC[C@H](C(=O)N1CCC(CC[N@@H+](CC)CC2CC2)CC1)[NH+](C)C ZINC000356892956 158318571 /nfs/dbraw/zinc/31/85/71/158318571.db2.gz KJOQKYBRWFCPAQ-GOSISDBHSA-N 2 1 323.525 2.687 20 0 DFADMP c1ccc(COc2cccc(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000357044869 158355534 /nfs/dbraw/zinc/35/55/34/158355534.db2.gz HIPLEUUEJIAKNM-ROUUACIJSA-N 2 1 323.440 2.702 20 0 DFADMP c1ccc(COc2cccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4C3)c2)nc1 ZINC000357044869 158355535 /nfs/dbraw/zinc/35/55/35/158355535.db2.gz HIPLEUUEJIAKNM-ROUUACIJSA-N 2 1 323.440 2.702 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](C)c2ccccc2Cl)CC1 ZINC000357059815 158359531 /nfs/dbraw/zinc/35/95/31/158359531.db2.gz AYNCMOCMXIGSSS-ZDUSSCGKSA-N 2 1 323.868 2.591 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358295509 158370171 /nfs/dbraw/zinc/37/01/71/158370171.db2.gz KBSKGSDHLIBYCV-LZQZEXGQSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CCc2n[nH]cc2C1 ZINC000358295509 158370173 /nfs/dbraw/zinc/37/01/73/158370173.db2.gz KBSKGSDHLIBYCV-LZQZEXGQSA-N 2 1 324.472 2.767 20 0 DFADMP CCN(C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH2+]CC2)c1ccccc1 ZINC000358506403 158382671 /nfs/dbraw/zinc/38/26/71/158382671.db2.gz JYFLCXGVBXVYRK-INIZCTEOSA-N 2 1 315.461 2.504 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC3(C2)CC[NH2+]CC3)c(C)c1 ZINC000358505449 158383583 /nfs/dbraw/zinc/38/35/83/158383583.db2.gz IFBWGAANRDKXNJ-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1Cc3[nH]c4ccccc4c3C1)C2 ZINC000368521219 158651460 /nfs/dbraw/zinc/65/14/60/158651460.db2.gz CSCYBQNWWZFLIE-KGLIPLIRSA-N 2 1 306.413 2.684 20 0 DFADMP CC1(C)CC([NH2+]Cc2cc(C(F)(F)F)n[nH]2)CC(C)(C)[NH2+]1 ZINC000440814898 297166056 /nfs/dbraw/zinc/16/60/56/297166056.db2.gz QRRILLUIQNVCEX-UHFFFAOYSA-N 2 1 304.360 2.827 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc3ccccc3n2C(F)F)CC1 ZINC000430966075 296816069 /nfs/dbraw/zinc/81/60/69/296816069.db2.gz MFQROBMSHUTARF-NSHDSACASA-N 2 1 308.376 2.991 20 0 DFADMP C[C@H]1C[C@H]1c1ccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)o1 ZINC000441369674 297181262 /nfs/dbraw/zinc/18/12/62/297181262.db2.gz OACOPHYVEXMYDR-GOEBONIOSA-N 2 1 305.466 2.519 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1N(C)C ZINC000369443732 287071183 /nfs/dbraw/zinc/07/11/83/287071183.db2.gz QRBYHMGFLASVAP-OCCSQVGLSA-N 2 1 302.397 2.754 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@H+](C)CCN1CC[NH2+]CC1 ZINC000071148598 287134415 /nfs/dbraw/zinc/13/44/15/287134415.db2.gz RMSGSVTVMSIGRG-LBPRGKRZSA-N 2 1 316.276 2.891 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1Cl)[N@@H+](C)CCN1CC[NH2+]CC1 ZINC000071148598 287134416 /nfs/dbraw/zinc/13/44/16/287134416.db2.gz RMSGSVTVMSIGRG-LBPRGKRZSA-N 2 1 316.276 2.891 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000129016283 196012169 /nfs/dbraw/zinc/01/21/69/196012169.db2.gz UPTUBLZILRVHAD-FSZRXZPDSA-N 2 1 306.450 2.781 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@H](C)C1 ZINC000129401510 196044495 /nfs/dbraw/zinc/04/44/95/196044495.db2.gz IPJLUASVDXBBGW-VQIMIIECSA-N 2 1 312.461 2.751 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130733004 196105174 /nfs/dbraw/zinc/10/51/74/196105174.db2.gz YVQURIGMPNUQNE-QZTJIDSGSA-N 2 1 302.462 2.759 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000130797611 196111054 /nfs/dbraw/zinc/11/10/54/196111054.db2.gz NZUHPNKORCREBY-ZDUSSCGKSA-N 2 1 318.396 2.680 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(F)c1 ZINC000130797611 196111056 /nfs/dbraw/zinc/11/10/56/196111056.db2.gz NZUHPNKORCREBY-ZDUSSCGKSA-N 2 1 318.396 2.680 20 0 DFADMP CC[NH+](CC)CCCN[C@H]1CC[N@H+](Cc2ccccn2)C[C@@H]1C ZINC000131462331 196170654 /nfs/dbraw/zinc/17/06/54/196170654.db2.gz SZDBTQHVQTZINZ-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP CC[NH+](CC)CCCN[C@H]1CC[N@@H+](Cc2ccccn2)C[C@@H]1C ZINC000131462331 196170656 /nfs/dbraw/zinc/17/06/56/196170656.db2.gz SZDBTQHVQTZINZ-HKUYNNGSSA-N 2 1 318.509 2.614 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccc(F)cc1 ZINC000133093007 196310488 /nfs/dbraw/zinc/31/04/88/196310488.db2.gz LLQYDUHVQDMVGE-LSDHHAIUSA-N 2 1 306.425 2.977 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCC[C@@H]([NH3+])C2)C1 ZINC000237682988 287272130 /nfs/dbraw/zinc/27/21/30/287272130.db2.gz VHFLKDWRXQEACZ-XMTFNYHQSA-N 2 1 321.509 2.617 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000133106636 196312352 /nfs/dbraw/zinc/31/23/52/196312352.db2.gz CRSITJUPAZEJBV-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)[C@H](C)C1 ZINC000133106636 196312353 /nfs/dbraw/zinc/31/23/53/196312353.db2.gz CRSITJUPAZEJBV-NVXWUHKLSA-N 2 1 302.466 2.502 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]c(C(=O)OC)c2)CC1 ZINC000134166949 196367750 /nfs/dbraw/zinc/36/77/50/196367750.db2.gz JSPCCBLKKRZRSB-UHFFFAOYSA-N 2 1 321.465 2.745 20 0 DFADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCO1 ZINC000134192142 196369096 /nfs/dbraw/zinc/36/90/96/196369096.db2.gz DDEZIXVYMBXSBF-LJQANCHMSA-N 2 1 302.462 2.852 20 0 DFADMP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCO1 ZINC000134192354 196369298 /nfs/dbraw/zinc/36/92/98/196369298.db2.gz DDEZIXVYMBXSBF-IBGZPJMESA-N 2 1 302.462 2.852 20 0 DFADMP Cn1nc(C(F)(F)F)cc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000667543693 543626315 /nfs/dbraw/zinc/62/63/15/543626315.db2.gz IQIZXGPFGHYTKA-UHFFFAOYSA-N 2 1 318.387 2.603 20 0 DFADMP Cc1ncc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C ZINC000667561411 543631076 /nfs/dbraw/zinc/63/10/76/543631076.db2.gz WEYUEMASYSIUKH-NVXWUHKLSA-N 2 1 304.482 2.815 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1C ZINC000667561411 543631078 /nfs/dbraw/zinc/63/10/78/543631078.db2.gz WEYUEMASYSIUKH-NVXWUHKLSA-N 2 1 304.482 2.815 20 0 DFADMP Cc1[nH+]cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1C ZINC000667561411 543631081 /nfs/dbraw/zinc/63/10/81/543631081.db2.gz WEYUEMASYSIUKH-NVXWUHKLSA-N 2 1 304.482 2.815 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@H]2CCCc3nn(C)cc32)C1 ZINC000358913649 287348145 /nfs/dbraw/zinc/34/81/45/287348145.db2.gz ITHXXKCDUWAVNH-WBVHZDCISA-N 2 1 304.482 2.899 20 0 DFADMP COC1CCC([N@@H+](C)Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000667639280 543647381 /nfs/dbraw/zinc/64/73/81/543647381.db2.gz QELSENPTSPYJMY-UHFFFAOYSA-N 2 1 300.406 2.657 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)C2)nc(C)[nH+]1 ZINC000667839757 543689792 /nfs/dbraw/zinc/68/97/92/543689792.db2.gz BMJXSZSRJRXBBS-QZWWFDLISA-N 2 1 300.450 2.840 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C(F)(F)F)cnn2C)[C@@H](C)C1 ZINC000667666083 543655425 /nfs/dbraw/zinc/65/54/25/543655425.db2.gz BXPHXPBNJCFXEG-AAEUAGOBSA-N 2 1 318.387 2.601 20 0 DFADMP Cc1cnc(CC[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)s1 ZINC000667682526 543658415 /nfs/dbraw/zinc/65/84/15/543658415.db2.gz NXZMFIFIOXZUSL-UHFFFAOYSA-N 2 1 313.430 2.707 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681269 543658590 /nfs/dbraw/zinc/65/85/90/543658590.db2.gz FBLHYIXPDCWWHI-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681269 543658594 /nfs/dbraw/zinc/65/85/94/543658594.db2.gz FBLHYIXPDCWWHI-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681269 543658597 /nfs/dbraw/zinc/65/85/97/543658597.db2.gz FBLHYIXPDCWWHI-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(O[C@H]3CCOC3)cc2)C1 ZINC000667681269 543658601 /nfs/dbraw/zinc/65/86/01/543658601.db2.gz FBLHYIXPDCWWHI-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP c1ccc2c(c1)CC[N@@H+](CCC[NH2+][C@H]1CO[C@H](C3CC3)C1)C2 ZINC000667773556 543676560 /nfs/dbraw/zinc/67/65/60/543676560.db2.gz LPTBRIIDWVPGHE-MOPGFXCFSA-N 2 1 300.446 2.592 20 0 DFADMP c1ccc2c(c1)CC[N@H+](CCC[NH2+][C@H]1CO[C@H](C3CC3)C1)C2 ZINC000667773556 543676562 /nfs/dbraw/zinc/67/65/62/543676562.db2.gz LPTBRIIDWVPGHE-MOPGFXCFSA-N 2 1 300.446 2.592 20 0 DFADMP COC[C@H]1CCCC[N@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667996574 543721310 /nfs/dbraw/zinc/72/13/10/543721310.db2.gz RPBNPAGQCYFMBA-HNNXBMFYSA-N 2 1 300.406 2.516 20 0 DFADMP COC[C@H]1CCCC[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667996574 543721312 /nfs/dbraw/zinc/72/13/12/543721312.db2.gz RPBNPAGQCYFMBA-HNNXBMFYSA-N 2 1 300.406 2.516 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnc2n1CCC2 ZINC000668169432 543757684 /nfs/dbraw/zinc/75/76/84/543757684.db2.gz RDYNDJHYBMXEAT-UHFFFAOYSA-N 2 1 301.438 2.500 20 0 DFADMP CC[C@@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738774 543857421 /nfs/dbraw/zinc/85/74/21/543857421.db2.gz GCCLBOSMFROFQW-QFBILLFUSA-N 2 1 302.462 2.711 20 0 DFADMP CC(C)[C@H](C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668738463 543857473 /nfs/dbraw/zinc/85/74/73/543857473.db2.gz DHUJVBNKFCQVNE-PMACEKPBSA-N 2 1 316.489 2.957 20 0 DFADMP CC(C)C1CCC(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000668739174 543858241 /nfs/dbraw/zinc/85/82/41/543858241.db2.gz JZVZHCBYPNXJSZ-TVPLGVNVSA-N 2 1 308.510 2.980 20 0 DFADMP CC[C@H](C[NH+]1CCC([N@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668738775 543858302 /nfs/dbraw/zinc/85/83/02/543858302.db2.gz GCCLBOSMFROFQW-VQIMIIECSA-N 2 1 302.462 2.711 20 0 DFADMP C[C@@H](Cc1ccccc1)C[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000668784677 543866677 /nfs/dbraw/zinc/86/66/77/543866677.db2.gz HNFBHSBZEUMTIR-HKUYNNGSSA-N 2 1 304.478 2.908 20 0 DFADMP C[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C1(CO)CCC1 ZINC000668802270 543871539 /nfs/dbraw/zinc/87/15/39/543871539.db2.gz JJHSVCPTTXKNSB-UHFFFAOYSA-N 2 1 318.461 2.508 20 0 DFADMP c1cc(C[N@H+]2C[C@]34COC[C@@]3(C2)CCCC4)n(-c2cc[nH+]cc2)n1 ZINC000668784589 543866864 /nfs/dbraw/zinc/86/68/64/543866864.db2.gz GYHIUXXFLCLAMV-KDURUIRLSA-N 2 1 324.428 2.660 20 0 DFADMP c1cc(C[N@@H+]2C[C@]34COC[C@@]3(C2)CCCC4)n(-c2cc[nH+]cc2)n1 ZINC000668784589 543866865 /nfs/dbraw/zinc/86/68/65/543866865.db2.gz GYHIUXXFLCLAMV-KDURUIRLSA-N 2 1 324.428 2.660 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2cccc3[nH]ccc32)CCO1 ZINC000668785590 543867565 /nfs/dbraw/zinc/86/75/65/543867565.db2.gz SOFLKRXCAKBUJJ-INIZCTEOSA-N 2 1 301.434 2.711 20 0 DFADMP C[C@H]1CCc2ccccc2[C@@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618794 543976179 /nfs/dbraw/zinc/97/61/79/543976179.db2.gz PMTDOSAQLWKOJF-QFBILLFUSA-N 2 1 315.505 2.926 20 0 DFADMP C[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CCC2(CCCCC2)CC1 ZINC000669622379 543976919 /nfs/dbraw/zinc/97/69/19/543976919.db2.gz XGBDMNKYSKVWHR-QGZVFWFLSA-N 2 1 321.509 2.633 20 0 DFADMP COC(C)(C)[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000671109050 544056307 /nfs/dbraw/zinc/05/63/07/544056307.db2.gz UWXNYZZAGJTGEY-SJLPKXTDSA-N 2 1 304.478 2.954 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)c1csc(C)c1 ZINC000671683340 544097504 /nfs/dbraw/zinc/09/75/04/544097504.db2.gz QNSHAGAJXWUIHD-INIZCTEOSA-N 2 1 323.506 2.545 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@H]2CCC[C@H]21 ZINC000671751997 544106369 /nfs/dbraw/zinc/10/63/69/544106369.db2.gz KAYDXVMETPQGPE-HCXYKTFWSA-N 2 1 300.446 2.763 20 0 DFADMP COc1ccc(COCC[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cc1 ZINC000671724885 544102848 /nfs/dbraw/zinc/10/28/48/544102848.db2.gz IVEDWZYMXDXJBT-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP COc1ccc(COCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cc1 ZINC000671724885 544102853 /nfs/dbraw/zinc/10/28/53/544102853.db2.gz IVEDWZYMXDXJBT-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP COc1ccc(COCC[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000671724885 544102855 /nfs/dbraw/zinc/10/28/55/544102855.db2.gz IVEDWZYMXDXJBT-JWTNVVGKSA-N 2 1 318.461 2.769 20 0 DFADMP COc1nc(C)cc(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000671745718 544105842 /nfs/dbraw/zinc/10/58/42/544105842.db2.gz RUZCHVQOFBCMIF-USXIJHARSA-N 2 1 303.450 2.669 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CO)c2ccc(Cl)cc2)[C@@H]2CCC[C@H]21 ZINC000672618909 544144084 /nfs/dbraw/zinc/14/40/84/544144084.db2.gz FLBCXEDYNNXXNV-LAVFITLUSA-N 2 1 322.880 2.878 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)c1ccc(Cl)cc1 ZINC000673617953 544186904 /nfs/dbraw/zinc/18/69/04/544186904.db2.gz PNUSPGSBJLZFJH-OAHLLOKOSA-N 2 1 319.836 2.667 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)cc1 ZINC000290950676 222024540 /nfs/dbraw/zinc/02/45/40/222024540.db2.gz PWWMMDPWXCVZSG-MRXNPFEDSA-N 2 1 319.493 2.987 20 0 DFADMP CC[C@H](C[NH+]1CCCC1)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000674094525 544220003 /nfs/dbraw/zinc/22/00/03/544220003.db2.gz OXMCEDLOPLXDJU-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1)[NH+](C)C ZINC000674245539 544226356 /nfs/dbraw/zinc/22/63/56/544226356.db2.gz PIWXWJYUDUWNEW-CVEARBPZSA-N 2 1 317.477 2.627 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)ccc1O ZINC000297471617 227212104 /nfs/dbraw/zinc/21/21/04/227212104.db2.gz RFRXRIOKIWDQHY-HZPDHXFCSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@H+](C)CC[C@H]32)ccc1O ZINC000297471617 227212110 /nfs/dbraw/zinc/21/21/10/227212110.db2.gz RFRXRIOKIWDQHY-HZPDHXFCSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)ccc1O ZINC000297471617 227212113 /nfs/dbraw/zinc/21/21/13/227212113.db2.gz RFRXRIOKIWDQHY-HZPDHXFCSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)ccc1O ZINC000297471622 227212220 /nfs/dbraw/zinc/21/22/20/227212220.db2.gz RFRXRIOKIWDQHY-JKSUJKDBSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)ccc1O ZINC000297471622 227212225 /nfs/dbraw/zinc/21/22/25/227212225.db2.gz RFRXRIOKIWDQHY-JKSUJKDBSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)ccc1O ZINC000297471622 227212229 /nfs/dbraw/zinc/21/22/29/227212229.db2.gz RFRXRIOKIWDQHY-JKSUJKDBSA-N 2 1 304.434 2.707 20 0 DFADMP CN(C)Cc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@H+]1C ZINC000674877393 544272496 /nfs/dbraw/zinc/27/24/96/544272496.db2.gz RCKUNTYWJTYHFT-LSDHHAIUSA-N 2 1 321.490 2.509 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000674877393 544272498 /nfs/dbraw/zinc/27/24/98/544272498.db2.gz RCKUNTYWJTYHFT-LSDHHAIUSA-N 2 1 321.490 2.509 20 0 DFADMP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000674879175 544272847 /nfs/dbraw/zinc/27/28/47/544272847.db2.gz WHXOBWWWNNWPOT-OAHLLOKOSA-N 2 1 321.490 2.510 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491113 544316011 /nfs/dbraw/zinc/31/60/11/544316011.db2.gz PEKDKQMKPCITOE-GUDVDZBRSA-N 2 1 313.489 2.929 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000675769521 544334927 /nfs/dbraw/zinc/33/49/27/544334927.db2.gz ZHPYVMKBQDBKTI-NXWXRZEISA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000675769521 544334929 /nfs/dbraw/zinc/33/49/29/544334929.db2.gz ZHPYVMKBQDBKTI-NXWXRZEISA-N 2 1 302.462 2.933 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675811257 544338574 /nfs/dbraw/zinc/33/85/74/544338574.db2.gz ZEEQQTIMFSPZDS-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000675811257 544338577 /nfs/dbraw/zinc/33/85/77/544338577.db2.gz ZEEQQTIMFSPZDS-QRQLOZEOSA-N 2 1 301.478 2.753 20 0 DFADMP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)c2c1 ZINC000675878327 544341352 /nfs/dbraw/zinc/34/13/52/544341352.db2.gz SCZCGVQQNSBYMR-UKRRQHHQSA-N 2 1 301.434 2.791 20 0 DFADMP C[C@H]([NH2+][C@H](CO)CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000681394918 545637308 /nfs/dbraw/zinc/63/73/08/545637308.db2.gz XIQBLJNWJPGUTO-IPELMVKDSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@H](C[N@@H+](C)Cc1ccccc1)NC1CC[NH+](CC2CC2)CC1 ZINC000676112693 544357236 /nfs/dbraw/zinc/35/72/36/544357236.db2.gz NVNHDHOFRTXHQV-QGZVFWFLSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H](CN(C)Cc1ccccc1)[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000676112693 544357238 /nfs/dbraw/zinc/35/72/38/544357238.db2.gz NVNHDHOFRTXHQV-QGZVFWFLSA-N 2 1 315.505 2.971 20 0 DFADMP CC(=O)Nc1cccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c1 ZINC000676222401 544364418 /nfs/dbraw/zinc/36/44/18/544364418.db2.gz MSOGLSIAJLPTEM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000676222401 544364419 /nfs/dbraw/zinc/36/44/19/544364419.db2.gz MSOGLSIAJLPTEM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000676222401 544364422 /nfs/dbraw/zinc/36/44/22/544364422.db2.gz MSOGLSIAJLPTEM-FUHWJXTLSA-N 2 1 301.434 2.561 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnc(-c3ccccn3)s2)C1 ZINC000442917042 297211245 /nfs/dbraw/zinc/21/12/45/297211245.db2.gz BPCCCRJKBDRCCU-ZDUSSCGKSA-N 2 1 302.447 2.766 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@H+](CC)C[C@H]2C)o1 ZINC000677976043 544574252 /nfs/dbraw/zinc/57/42/52/544574252.db2.gz WCJVQZBKGXRLFO-HUUCEWRRSA-N 2 1 321.465 2.676 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)C[C@H]2C)o1 ZINC000677976043 544574256 /nfs/dbraw/zinc/57/42/56/544574256.db2.gz WCJVQZBKGXRLFO-HUUCEWRRSA-N 2 1 321.465 2.676 20 0 DFADMP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CC[NH+](CCO)CC1 ZINC000678076361 544595788 /nfs/dbraw/zinc/59/57/88/544595788.db2.gz XYGHVIQRKZZEIE-SFHVURJKSA-N 2 1 302.462 2.727 20 0 DFADMP C[NH+](C)CCOC1CC[NH+](Cc2cscc2Cl)CC1 ZINC000678260942 544636312 /nfs/dbraw/zinc/63/63/12/544636312.db2.gz JXSCLKKIIRLLAW-UHFFFAOYSA-N 2 1 302.871 2.944 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@H]3COCC[C@@H]32)cc1 ZINC000678333585 544652261 /nfs/dbraw/zinc/65/22/61/544652261.db2.gz DRESFXLZYPSFRD-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)c(C)n1 ZINC000678426802 544671925 /nfs/dbraw/zinc/67/19/25/544671925.db2.gz IUHMHVQFAHEBEO-IAGOWNOFSA-N 2 1 317.477 2.850 20 0 DFADMP OCC[NH+]1CCC([NH2+]CC(c2ccccc2)c2ccccc2)CC1 ZINC000678495784 544683397 /nfs/dbraw/zinc/68/33/97/544683397.db2.gz BXMDPVWIWRBLDH-UHFFFAOYSA-N 2 1 324.468 2.865 20 0 DFADMP CC1(c2ccccc2)CCC([NH2+]C2CC[NH+](CCO)CC2)CC1 ZINC000678932327 544751637 /nfs/dbraw/zinc/75/16/37/544751637.db2.gz UDFVBWXDUHXBES-UHFFFAOYSA-N 2 1 316.489 2.933 20 0 DFADMP C[C@@H](CCc1ccc(Cl)s1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679037893 544772362 /nfs/dbraw/zinc/77/23/62/544772362.db2.gz XGWHABIQCWVWSG-LBPRGKRZSA-N 2 1 316.898 2.769 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3cncs3)C2)nc(C)[nH+]1 ZINC000679035851 544772775 /nfs/dbraw/zinc/77/27/75/544772775.db2.gz QYYVBUVQNKHHNK-OCCSQVGLSA-N 2 1 317.462 2.870 20 0 DFADMP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C1CC[NH+](CCO)CC1 ZINC000679038739 544773387 /nfs/dbraw/zinc/77/33/87/544773387.db2.gz QAUHRYHNMFKXSZ-INIZCTEOSA-N 2 1 304.478 2.789 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@H](CC2CCC2)c2ccccc2)CC1 ZINC000679039000 544773851 /nfs/dbraw/zinc/77/38/51/544773851.db2.gz VRXSKLBDZOECCC-LJQANCHMSA-N 2 1 302.462 2.964 20 0 DFADMP C[C@H](CCCCO)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000679337063 544836698 /nfs/dbraw/zinc/83/66/98/544836698.db2.gz JWQZBUVOWGQDFM-IEBWSBKVSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000681411337 545639505 /nfs/dbraw/zinc/63/95/05/545639505.db2.gz VXQGUJYEIXJDNN-NEPXVJNWSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000681411337 545639508 /nfs/dbraw/zinc/63/95/08/545639508.db2.gz VXQGUJYEIXJDNN-NEPXVJNWSA-N 2 1 304.478 2.894 20 0 DFADMP OCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000679722212 544905469 /nfs/dbraw/zinc/90/54/69/544905469.db2.gz ZBWIKNPQLNXLKG-IPMKNSEASA-N 2 1 314.473 2.649 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCC[C@@H](O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000679625000 544884753 /nfs/dbraw/zinc/88/47/53/544884753.db2.gz NYKGMYNQNRDXGD-JCHJZTRSSA-N 2 1 302.462 2.790 20 0 DFADMP CO[C@@H]1CCC[NH+]([C@H](C)CC[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954000 544933027 /nfs/dbraw/zinc/93/30/27/544933027.db2.gz OBHIYUBYBUGDBY-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@@H](C)[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954000 544933030 /nfs/dbraw/zinc/93/30/30/544933030.db2.gz OBHIYUBYBUGDBY-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CO[C@@H]1CCC[NH+](CC[C@@H](C)[N@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000679954000 544933032 /nfs/dbraw/zinc/93/30/32/544933032.db2.gz OBHIYUBYBUGDBY-KZNAEPCWSA-N 2 1 312.498 2.767 20 0 DFADMP CCO[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000680326568 544990266 /nfs/dbraw/zinc/99/02/66/544990266.db2.gz NQYSPXYOXWBUOY-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP C[C@H]1C[C@H](CNc2cc[nH+]cc2C(N)=O)C[N@@H+]1Cc1ccccc1 ZINC000302158059 230131694 /nfs/dbraw/zinc/13/16/94/230131694.db2.gz OHFYSYMVNWUCJA-GOEBONIOSA-N 2 1 324.428 2.503 20 0 DFADMP C[C@H]1C[C@H](CNc2cc[nH+]cc2C(N)=O)C[N@H+]1Cc1ccccc1 ZINC000302158059 230131696 /nfs/dbraw/zinc/13/16/96/230131696.db2.gz OHFYSYMVNWUCJA-GOEBONIOSA-N 2 1 324.428 2.503 20 0 DFADMP OCC[NH+]1CCC([NH2+]C2CC(c3ccc(Cl)cc3)C2)CC1 ZINC000680332011 544991957 /nfs/dbraw/zinc/99/19/57/544991957.db2.gz HJKFLBPRARPYSN-UHFFFAOYSA-N 2 1 308.853 2.632 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000680330536 544992051 /nfs/dbraw/zinc/99/20/51/544992051.db2.gz XOAVEGYSHUUPKL-SFHVURJKSA-N 2 1 322.416 2.646 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]1c1cnn(C)c1 ZINC000680330536 544992055 /nfs/dbraw/zinc/99/20/55/544992055.db2.gz XOAVEGYSHUUPKL-SFHVURJKSA-N 2 1 322.416 2.646 20 0 DFADMP O=c1[nH]c2ccc(C[NH2+]C3CC[NH+](C4CCCC4)CC3)cc2[nH]1 ZINC000680335712 544992296 /nfs/dbraw/zinc/99/22/96/544992296.db2.gz VKPFIJKTYWYGCX-UHFFFAOYSA-N 2 1 314.433 2.765 20 0 DFADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000680377998 545001530 /nfs/dbraw/zinc/00/15/30/545001530.db2.gz CRHSCRHAUPEQKC-OGWHTMIXSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000680377998 545001533 /nfs/dbraw/zinc/00/15/33/545001533.db2.gz CRHSCRHAUPEQKC-OGWHTMIXSA-N 2 1 304.478 2.894 20 0 DFADMP C[NH+](C)CCC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000056522380 425895360 /nfs/dbraw/zinc/89/53/60/425895360.db2.gz FBMICBRWEWUVFP-UHFFFAOYSA-N 2 1 323.868 2.942 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CCN(CC[NH+](C)C)CC1)CC2 ZINC000124488998 425922276 /nfs/dbraw/zinc/92/22/76/425922276.db2.gz XLVCZLMVHDSCIC-FQEVSTJZSA-N 2 1 315.505 2.846 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)cc1 ZINC000124507177 425923580 /nfs/dbraw/zinc/92/35/80/425923580.db2.gz XGVNMFBXWANFFE-MRXNPFEDSA-N 2 1 319.493 2.619 20 0 DFADMP CCCn1ccnc1CCC[N@H+](C)CCN1CCC(C)CC1 ZINC000191520107 268002946 /nfs/dbraw/zinc/00/29/46/268002946.db2.gz AFATUENISKXLNQ-UHFFFAOYSA-N 2 1 306.498 2.889 20 0 DFADMP CC[NH+](CC)CCC[NH2+]C(C)(C)C(=O)NCC1CCCCC1 ZINC000191818707 268015654 /nfs/dbraw/zinc/01/56/54/268015654.db2.gz AQXYOBWQDRICIW-UHFFFAOYSA-N 2 1 311.514 2.783 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@H](C2CCCCC2)[NH+](C)C)CC1 ZINC000192439430 268036561 /nfs/dbraw/zinc/03/65/61/268036561.db2.gz QGPNVDLYCDLJNS-OFLPRAFFSA-N 2 1 310.482 2.818 20 0 DFADMP CN(C)[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)c1cccc(F)c1 ZINC000192590347 268042380 /nfs/dbraw/zinc/04/23/80/268042380.db2.gz YRQGTHBVDLXYKV-FBVQUNGASA-N 2 1 305.441 2.643 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](C[C@@H]2CCC=CO2)C1 ZINC000194783095 268115932 /nfs/dbraw/zinc/11/59/32/268115932.db2.gz LHFNWSJCOPHODN-CVEARBPZSA-N 2 1 321.490 2.898 20 0 DFADMP C[C@@H](CNC(=O)[C@H](c1ccccc1)[NH+](C)C)C[NH+]1CCCCC1 ZINC000195307035 268132702 /nfs/dbraw/zinc/13/27/02/268132702.db2.gz KLVQYOBEMFINCR-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)C1 ZINC000220785623 268141372 /nfs/dbraw/zinc/14/13/72/268141372.db2.gz LELVTZTVTQCALZ-OAHLLOKOSA-N 2 1 323.481 2.602 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000270635662 268194431 /nfs/dbraw/zinc/19/44/31/268194431.db2.gz MGNRBOOZOTVXLF-IBGZPJMESA-N 2 1 313.445 2.954 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](CCO)[C@H]1CCCc2ccccc21 ZINC000270635662 268194435 /nfs/dbraw/zinc/19/44/35/268194435.db2.gz MGNRBOOZOTVXLF-IBGZPJMESA-N 2 1 313.445 2.954 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)CC2(C)C)cc1 ZINC000270943470 268237986 /nfs/dbraw/zinc/23/79/86/268237986.db2.gz SYMBTAOYHTUXMH-UHFFFAOYSA-N 2 1 317.477 2.695 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)CC[N@@H+]1Cc1ccccc1 ZINC000276688068 268263182 /nfs/dbraw/zinc/26/31/82/268263182.db2.gz UICUGGZLMUSZQG-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[C@H](O)C2)CC[N@H+]1Cc1ccccc1 ZINC000276688068 268263183 /nfs/dbraw/zinc/26/31/83/268263183.db2.gz UICUGGZLMUSZQG-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710736 268287386 /nfs/dbraw/zinc/28/73/86/268287386.db2.gz DEOGYUIACFMICQ-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710736 268287387 /nfs/dbraw/zinc/28/73/87/268287387.db2.gz DEOGYUIACFMICQ-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710736 268287388 /nfs/dbraw/zinc/28/73/88/268287388.db2.gz DEOGYUIACFMICQ-LJQANCHMSA-N 2 1 300.446 2.582 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@H+]4C)c(C)n2n1 ZINC000295919185 268297442 /nfs/dbraw/zinc/29/74/42/268297442.db2.gz JUROVPPRFJRRSU-WWTUQBGBSA-N 2 1 313.449 2.622 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]C3C[C@H]4CC[C@@H](C3)[N@@H+]4C)c(C)n2n1 ZINC000295919185 268297444 /nfs/dbraw/zinc/29/74/44/268297444.db2.gz JUROVPPRFJRRSU-WWTUQBGBSA-N 2 1 313.449 2.622 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCC[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000309678320 268335856 /nfs/dbraw/zinc/33/58/56/268335856.db2.gz YDRFGFCAZQXWAK-HUUCEWRRSA-N 2 1 322.453 2.617 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000310005992 268337160 /nfs/dbraw/zinc/33/71/60/268337160.db2.gz HQBTVLNTTJLQBI-AWEZNQCLSA-N 2 1 313.486 2.610 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000310030558 268337387 /nfs/dbraw/zinc/33/73/87/268337387.db2.gz XNMDEPWOJYSTMT-ILXRZTDVSA-N 2 1 313.486 2.752 20 0 DFADMP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000310030558 268337388 /nfs/dbraw/zinc/33/73/88/268337388.db2.gz XNMDEPWOJYSTMT-ILXRZTDVSA-N 2 1 313.486 2.752 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000322891704 268349456 /nfs/dbraw/zinc/34/94/56/268349456.db2.gz FCCYILXOJKGYLF-LNRIEFBSSA-N 2 1 316.445 2.951 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000323764754 268350090 /nfs/dbraw/zinc/35/00/90/268350090.db2.gz XBJLYDWDPCLYJV-MJGOQNOKSA-N 2 1 301.478 2.582 20 0 DFADMP CC1(C)Cc2cc(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)ccc2O1 ZINC000103340238 425943432 /nfs/dbraw/zinc/94/34/32/425943432.db2.gz DTIWNRPHYVGICL-HNNXBMFYSA-N 2 1 300.446 2.974 20 0 DFADMP Cc1cnn(CCCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)c1 ZINC000158832401 425947859 /nfs/dbraw/zinc/94/78/59/425947859.db2.gz OUPWMACZPLCEOV-QZTJIDSGSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158832401 425947863 /nfs/dbraw/zinc/94/78/63/425947863.db2.gz OUPWMACZPLCEOV-QZTJIDSGSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000158832401 425947864 /nfs/dbraw/zinc/94/78/64/425947864.db2.gz OUPWMACZPLCEOV-QZTJIDSGSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000158961981 425951452 /nfs/dbraw/zinc/95/14/52/425951452.db2.gz SYVBDUROSLCELD-IEBWSBKVSA-N 2 1 302.462 2.665 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(C)nc2)[C@H](C)C1 ZINC000161572041 426029885 /nfs/dbraw/zinc/02/98/85/426029885.db2.gz RZCUGTWFNVEPQP-VQIMIIECSA-N 2 1 319.493 2.659 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)C(C)(C)C ZINC000126729097 426033873 /nfs/dbraw/zinc/03/38/73/426033873.db2.gz IKFWUHAPTRGOSN-INIZCTEOSA-N 2 1 303.494 2.958 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872721 426043651 /nfs/dbraw/zinc/04/36/51/426043651.db2.gz QAMNNOVQIGJWBA-IIAWOOMASA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872721 426043655 /nfs/dbraw/zinc/04/36/55/426043655.db2.gz QAMNNOVQIGJWBA-IIAWOOMASA-N 2 1 304.434 2.666 20 0 DFADMP O[C@@H](Cc1ccccc1)C[NH+]1CCC([NH2+]C2CCCC2)CC1 ZINC000111300258 426045577 /nfs/dbraw/zinc/04/55/77/426045577.db2.gz FEHAPSKFMVUTMM-IBGZPJMESA-N 2 1 302.462 2.587 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000162039520 426049392 /nfs/dbraw/zinc/04/93/92/426049392.db2.gz OZPLIUNEWKJWSY-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000162039520 426049395 /nfs/dbraw/zinc/04/93/95/426049395.db2.gz OZPLIUNEWKJWSY-SFHVURJKSA-N 3 1 304.482 2.780 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000162039520 426049397 /nfs/dbraw/zinc/04/93/97/426049397.db2.gz OZPLIUNEWKJWSY-SFHVURJKSA-N 3 1 304.482 2.780 20 0 DFADMP CC[C@](C)(O)C[N@@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000162211485 426056586 /nfs/dbraw/zinc/05/65/86/426056586.db2.gz GLRFRCWAFINZOG-SFHVURJKSA-N 2 1 305.466 2.781 20 0 DFADMP COc1cc([C@H](C)[NH2+]CC(C)(C)C[NH+](C)C)cc(OC)c1OC ZINC000127251864 426058704 /nfs/dbraw/zinc/05/87/04/426058704.db2.gz ITKQGSGWXQRMOV-ZDUSSCGKSA-N 2 1 324.465 2.951 20 0 DFADMP COC(=O)[C@@H](C)[C@@H]([NH2+]CCCn1cc[nH+]c1C)c1ccccc1 ZINC000127450723 426067102 /nfs/dbraw/zinc/06/71/02/426067102.db2.gz OCGISOAHFRCTSX-WMLDXEAASA-N 2 1 315.417 2.722 20 0 DFADMP CCCC[C@@H](COC)[NH2+]Cc1ccc(-n2cc[nH+]c2C)nc1 ZINC000126418054 426018195 /nfs/dbraw/zinc/01/81/95/426018195.db2.gz GSJDDLKKDBLFAT-INIZCTEOSA-N 2 1 302.422 2.871 20 0 DFADMP C[N@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2ccccc2[nH]c1=O ZINC000075860256 426087946 /nfs/dbraw/zinc/08/79/46/426087946.db2.gz FCHAUFPWOLKEJE-QGZVFWFLSA-N 2 1 313.445 2.834 20 0 DFADMP C[N@@H+](CC[C@H]1CCCC[NH+]1C)Cc1cc2ccccc2[nH]c1=O ZINC000075860256 426087948 /nfs/dbraw/zinc/08/79/48/426087948.db2.gz FCHAUFPWOLKEJE-QGZVFWFLSA-N 2 1 313.445 2.834 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@@H+]1C)Cc1cc2ccccc2[nH]c1=O ZINC000075860256 426087949 /nfs/dbraw/zinc/08/79/49/426087949.db2.gz FCHAUFPWOLKEJE-QGZVFWFLSA-N 2 1 313.445 2.834 20 0 DFADMP C[NH+](CC[C@H]1CCCC[N@H+]1C)Cc1cc2ccccc2[nH]c1=O ZINC000075860256 426087951 /nfs/dbraw/zinc/08/79/51/426087951.db2.gz FCHAUFPWOLKEJE-QGZVFWFLSA-N 2 1 313.445 2.834 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000163117189 426089560 /nfs/dbraw/zinc/08/95/60/426089560.db2.gz PIYUPWCKZNOSMG-LJQANCHMSA-N 2 1 313.445 2.954 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000163117189 426089563 /nfs/dbraw/zinc/08/95/63/426089563.db2.gz PIYUPWCKZNOSMG-LJQANCHMSA-N 2 1 313.445 2.954 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000163244684 426094457 /nfs/dbraw/zinc/09/44/57/426094457.db2.gz ABXBKXZKZANJHK-IRXDYDNUSA-N 3 1 319.493 2.619 20 0 DFADMP CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000163244684 426094460 /nfs/dbraw/zinc/09/44/60/426094460.db2.gz ABXBKXZKZANJHK-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000163244684 426094463 /nfs/dbraw/zinc/09/44/63/426094463.db2.gz ABXBKXZKZANJHK-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP CCCCNC(=O)C1CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000163346180 426097961 /nfs/dbraw/zinc/09/79/61/426097961.db2.gz DMJVBCKANUHHSV-UHFFFAOYSA-N 2 1 320.481 2.600 20 0 DFADMP CCOC(=O)CCC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000076109790 426100799 /nfs/dbraw/zinc/10/07/99/426100799.db2.gz BMSZGLKTDIWQEY-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP CCOC(=O)CCC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000076109790 426100803 /nfs/dbraw/zinc/10/08/03/426100803.db2.gz BMSZGLKTDIWQEY-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP CCOC(=O)CCC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000076109790 426100807 /nfs/dbraw/zinc/10/08/07/426100807.db2.gz BMSZGLKTDIWQEY-GOSISDBHSA-N 2 1 318.461 2.784 20 0 DFADMP Cc1cc(C)cc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)c1 ZINC000128237251 426108008 /nfs/dbraw/zinc/10/80/08/426108008.db2.gz TZIPEARWXZIEHI-SFHVURJKSA-N 2 1 303.494 2.982 20 0 DFADMP Cc1ccc(CC[C@@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128240967 426108753 /nfs/dbraw/zinc/10/87/53/426108753.db2.gz AUWDJYZNUBUHPE-LJQANCHMSA-N 2 1 317.521 2.933 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165311778 426121876 /nfs/dbraw/zinc/12/18/76/426121876.db2.gz UZRQNXAXDMBMEA-AEFFLSMTSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165311778 426121880 /nfs/dbraw/zinc/12/18/80/426121880.db2.gz UZRQNXAXDMBMEA-AEFFLSMTSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165312021 426122039 /nfs/dbraw/zinc/12/20/39/426122039.db2.gz UZRQNXAXDMBMEA-SJLPKXTDSA-N 2 1 312.461 2.635 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)c1cnn(C)c1 ZINC000165312021 426122042 /nfs/dbraw/zinc/12/20/42/426122042.db2.gz UZRQNXAXDMBMEA-SJLPKXTDSA-N 2 1 312.461 2.635 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCCOc2ccc(OC)cc2)CC1 ZINC000077248959 426123881 /nfs/dbraw/zinc/12/38/81/426123881.db2.gz OGSFEDXDBNZOAT-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCCOc2ccc(OC)cc2)CC1 ZINC000077248959 426123884 /nfs/dbraw/zinc/12/38/84/426123884.db2.gz OGSFEDXDBNZOAT-UHFFFAOYSA-N 2 1 306.450 2.880 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)C2([NH3+])CCCCC2)c1 ZINC000166000529 426126202 /nfs/dbraw/zinc/12/62/02/426126202.db2.gz MGQUBINNFXRUSZ-UHFFFAOYSA-N 2 1 317.477 2.805 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000165984575 426126271 /nfs/dbraw/zinc/12/62/71/426126271.db2.gz JIIIQEOSGRVQLS-NEWSRXKRSA-N 2 1 320.477 2.711 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000165984575 426126274 /nfs/dbraw/zinc/12/62/74/426126274.db2.gz JIIIQEOSGRVQLS-NEWSRXKRSA-N 2 1 320.477 2.711 20 0 DFADMP CC[C@H](CCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000166787827 426130287 /nfs/dbraw/zinc/13/02/87/426130287.db2.gz VRODHLXWJSGFRD-MRXNPFEDSA-N 2 1 322.468 2.831 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000127587071 426073388 /nfs/dbraw/zinc/07/33/88/426073388.db2.gz AOHFAXMOLGKUOS-LSDHHAIUSA-N 2 1 308.466 2.955 20 0 DFADMP Cc1nc(C[C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000162930814 426083438 /nfs/dbraw/zinc/08/34/38/426083438.db2.gz SCGKAMXHBPEHCF-MRXNPFEDSA-N 2 1 317.437 2.618 20 0 DFADMP Cc1nc(C[C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)no1 ZINC000162930814 426083441 /nfs/dbraw/zinc/08/34/41/426083441.db2.gz SCGKAMXHBPEHCF-MRXNPFEDSA-N 2 1 317.437 2.618 20 0 DFADMP Cc1cnn([C@H]2CCC[N@@H+](CCCCn3ccnc3C)C2)c1 ZINC000162986006 426084526 /nfs/dbraw/zinc/08/45/26/426084526.db2.gz KZZHSKMJSQJVND-KRWDZBQOSA-N 2 1 301.438 2.814 20 0 DFADMP Cc1cnn([C@H]2CCC[N@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000162986006 426084527 /nfs/dbraw/zinc/08/45/27/426084527.db2.gz KZZHSKMJSQJVND-KRWDZBQOSA-N 2 1 301.438 2.814 20 0 DFADMP Cc1cnn([C@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)c1 ZINC000162986006 426084532 /nfs/dbraw/zinc/08/45/32/426084532.db2.gz KZZHSKMJSQJVND-KRWDZBQOSA-N 2 1 301.438 2.814 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](CCc2ccccc2)CC1 ZINC000112648786 426086797 /nfs/dbraw/zinc/08/67/97/426086797.db2.gz KHJDLXJVMLWREF-KDURUIRLSA-N 2 1 315.505 2.720 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]3CCCC3)c(C)n2n1 ZINC000171141374 426171941 /nfs/dbraw/zinc/17/19/41/426171941.db2.gz IKZQLVMCDPJSRR-UKRRQHHQSA-N 2 1 315.465 2.729 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H](C)C[NH+]3CCCC3)c(C)n2n1 ZINC000171141378 426172131 /nfs/dbraw/zinc/17/21/31/426172131.db2.gz IKZQLVMCDPJSRR-HIFRSBDPSA-N 2 1 315.465 2.729 20 0 DFADMP Cc1cc2ncc([C@H](C)[NH2+]C[C@H](C)C[NH+]3CCCC3)c(C)n2n1 ZINC000171141385 426172605 /nfs/dbraw/zinc/17/26/05/426172605.db2.gz IKZQLVMCDPJSRR-ZFWWWQNUSA-N 2 1 315.465 2.729 20 0 DFADMP C[NH+](C)CC[C@@H](NC(=O)C[N@H+](C)Cc1ccccc1)C(C)(C)C ZINC000116232308 426183448 /nfs/dbraw/zinc/18/34/48/426183448.db2.gz KSKNQEQMZXVGQC-QGZVFWFLSA-N 2 1 319.493 2.601 20 0 DFADMP C[NH+](C)CC[C@@H](NC(=O)C[N@@H+](C)Cc1ccccc1)C(C)(C)C ZINC000116232308 426183450 /nfs/dbraw/zinc/18/34/50/426183450.db2.gz KSKNQEQMZXVGQC-QGZVFWFLSA-N 2 1 319.493 2.601 20 0 DFADMP CSc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000171587931 426197343 /nfs/dbraw/zinc/19/73/43/426197343.db2.gz AJLQJXDBDTVQSJ-OAHLLOKOSA-N 2 1 322.518 2.933 20 0 DFADMP C[N@H+](Cc1ccc(Br)cn1)CC1CC[NH+](C)CC1 ZINC000134891218 426198472 /nfs/dbraw/zinc/19/84/72/426198472.db2.gz IXZNSIOINDKBJO-UHFFFAOYSA-N 2 1 312.255 2.618 20 0 DFADMP CN1CCN([C@@H]2CCCC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000136067517 426234147 /nfs/dbraw/zinc/23/41/47/426234147.db2.gz KLMSETJHJFVNKR-JRMCHAMMSA-N 2 1 313.489 2.802 20 0 DFADMP Cc1cccc(C)c1NC(=O)CCC[N@@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000137413728 426253716 /nfs/dbraw/zinc/25/37/16/426253716.db2.gz CJHPJASMVYGGDB-KRWDZBQOSA-N 2 1 317.477 2.906 20 0 DFADMP CSc1cc2c(cc1C[NH2+][C@@H](C)CC[NH+](C)C)OCCO2 ZINC000086506565 426258519 /nfs/dbraw/zinc/25/85/19/426258519.db2.gz LHFCQIMZUIPYMD-LBPRGKRZSA-N 2 1 310.463 2.610 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC(F)F ZINC000174515955 426259625 /nfs/dbraw/zinc/25/96/25/426259625.db2.gz MVGKJNXGBCSARM-AAEUAGOBSA-N 2 1 314.376 2.869 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC(F)F ZINC000174515955 426259627 /nfs/dbraw/zinc/25/96/27/426259627.db2.gz MVGKJNXGBCSARM-AAEUAGOBSA-N 2 1 314.376 2.869 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccco1 ZINC000119086220 426260283 /nfs/dbraw/zinc/26/02/83/426260283.db2.gz GDBNEYIVUFOLKX-MWDXBVQZSA-N 2 1 307.482 2.981 20 0 DFADMP Cc1cnn(CCCCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)c1 ZINC000150845120 426263910 /nfs/dbraw/zinc/26/39/10/426263910.db2.gz PCDVQRFKVGGSCB-SFHVURJKSA-N 2 1 304.482 2.780 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000119669613 426301522 /nfs/dbraw/zinc/30/15/22/426301522.db2.gz BWUFWDUUQMWKBK-HUUCEWRRSA-N 2 1 313.486 2.611 20 0 DFADMP COC(=O)c1ccc(CN(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1F ZINC000151664278 426306539 /nfs/dbraw/zinc/30/65/39/426306539.db2.gz NFEYTVSVUKJWOT-TZMCWYRMSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1F ZINC000151664278 426306541 /nfs/dbraw/zinc/30/65/41/426306541.db2.gz NFEYTVSVUKJWOT-TZMCWYRMSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@@H]2CCN(C)[C@H](C)C2)cc1F ZINC000151664278 426306543 /nfs/dbraw/zinc/30/65/43/426306543.db2.gz NFEYTVSVUKJWOT-TZMCWYRMSA-N 2 1 308.397 2.527 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[N@@H+]1C ZINC000090721630 426331318 /nfs/dbraw/zinc/33/13/18/426331318.db2.gz CDUFFGRYNPVNIX-YPMHNXCESA-N 2 1 310.825 2.684 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000090721630 426331320 /nfs/dbraw/zinc/33/13/20/426331320.db2.gz CDUFFGRYNPVNIX-YPMHNXCESA-N 2 1 310.825 2.684 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000090888335 426332823 /nfs/dbraw/zinc/33/28/23/426332823.db2.gz IHGZHAGVMNETSQ-CRAIPNDOSA-N 2 1 320.477 2.956 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)o1 ZINC000090936940 426334269 /nfs/dbraw/zinc/33/42/69/426334269.db2.gz SPFUVGLEUVQAFC-AWEZNQCLSA-N 2 1 303.406 2.774 20 0 DFADMP Cc1ccc(CC[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000152296043 426336369 /nfs/dbraw/zinc/33/63/69/426336369.db2.gz GGMXILAIYWTCRE-FQEVSTJZSA-N 2 1 315.505 2.639 20 0 DFADMP Cc1ccc(CC[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000152296043 426336373 /nfs/dbraw/zinc/33/63/73/426336373.db2.gz GGMXILAIYWTCRE-FQEVSTJZSA-N 2 1 315.505 2.639 20 0 DFADMP Cc1cccc(NC[C@@H]2CCN(CC[NH+]3CCC(C)CC3)C2)n1 ZINC000153677244 426398544 /nfs/dbraw/zinc/39/85/44/426398544.db2.gz LKSHUBSBGVXTJZ-SFHVURJKSA-N 2 1 316.493 2.856 20 0 DFADMP CC[C@H]1C[N@@H+](CCC(=O)Nc2cccc(Cl)c2)CC[C@@H]1[NH3+] ZINC000122902581 426401940 /nfs/dbraw/zinc/40/19/40/426401940.db2.gz WKBNPGFBEJZMNT-WFASDCNBSA-N 2 1 309.841 2.728 20 0 DFADMP CC(C)(C)OC(=O)N[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000122025218 426356390 /nfs/dbraw/zinc/35/63/90/426356390.db2.gz QOVJKAKWERGKJB-CVEARBPZSA-N 2 1 323.481 2.649 20 0 DFADMP CC[C@@H](COC)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000152913765 426360382 /nfs/dbraw/zinc/36/03/82/426360382.db2.gz RGDPWBXJKYXNES-KRWDZBQOSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[N@@H+]1C ZINC000122405718 426373906 /nfs/dbraw/zinc/37/39/06/426373906.db2.gz RYBILWMGIDGDOK-RHSMWYFYSA-N 2 1 315.461 2.998 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)CC[N@H+]1C ZINC000122405718 426373909 /nfs/dbraw/zinc/37/39/09/426373909.db2.gz RYBILWMGIDGDOK-RHSMWYFYSA-N 2 1 315.461 2.998 20 0 DFADMP CCc1ccc(NC(=O)CN(C)[C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000123024270 426409435 /nfs/dbraw/zinc/40/94/35/426409435.db2.gz PLFICJKXEHVULW-PBHICJAKSA-N 2 1 303.450 2.602 20 0 DFADMP C[C@H]1C[C@H](NCc2cccnc2OC2CCCC2)CC[N@H+]1C ZINC000153875310 426411404 /nfs/dbraw/zinc/41/14/04/426411404.db2.gz JZPFPHCXJLHNST-GOEBONIOSA-N 2 1 303.450 2.975 20 0 DFADMP C[C@@H]1C[C@H](N(C)CCc2nc(-c3ccccc3)no2)CC[N@H+]1C ZINC000123409974 426431817 /nfs/dbraw/zinc/43/18/17/426431817.db2.gz WMHDSRUEEYKFTH-GDBMZVCRSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCc2nc(-c3ccccc3)no2)CCN1C ZINC000123409974 426431820 /nfs/dbraw/zinc/43/18/20/426431820.db2.gz WMHDSRUEEYKFTH-GDBMZVCRSA-N 2 1 314.433 2.694 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCc2nc(-c3ccccc3)no2)CCN1C ZINC000123409974 426431823 /nfs/dbraw/zinc/43/18/23/426431823.db2.gz WMHDSRUEEYKFTH-GDBMZVCRSA-N 2 1 314.433 2.694 20 0 DFADMP CC[N@H+]1CC[C@H](CNCc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000124172723 426473654 /nfs/dbraw/zinc/47/36/54/426473654.db2.gz WAGLKNUHMGKLTI-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000124172723 426473657 /nfs/dbraw/zinc/47/36/57/426473657.db2.gz WAGLKNUHMGKLTI-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2c(C)nn(-c3ccccc3)c2C)C1 ZINC000124172723 426473658 /nfs/dbraw/zinc/47/36/58/426473658.db2.gz WAGLKNUHMGKLTI-QGZVFWFLSA-N 2 1 312.461 2.921 20 0 DFADMP CN(CC[N@@H+](C)Cc1cccc(Cl)c1)C1CC[NH+](C)CC1 ZINC000177376807 426473753 /nfs/dbraw/zinc/47/37/53/426473753.db2.gz MJXWPCIMSQNLNJ-UHFFFAOYSA-N 2 1 309.885 2.798 20 0 DFADMP CCC[N@H+](CC)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177396966 426475228 /nfs/dbraw/zinc/47/52/28/426475228.db2.gz YGDZALWLRJYPLA-UHFFFAOYSA-N 2 1 313.486 2.707 20 0 DFADMP CCC[N@@H+](CC)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177396966 426475231 /nfs/dbraw/zinc/47/52/31/426475231.db2.gz YGDZALWLRJYPLA-UHFFFAOYSA-N 2 1 313.486 2.707 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCC(C)CC2)cc1 ZINC000098144100 426480185 /nfs/dbraw/zinc/48/01/85/426480185.db2.gz NYMHQTBGORYEAH-AEFFLSMTSA-N 2 1 320.477 2.829 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)cc1OC ZINC000124369454 426481870 /nfs/dbraw/zinc/48/18/70/426481870.db2.gz BYCBWWYGWFITFQ-KGLIPLIRSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCCO2 ZINC000124373084 426482987 /nfs/dbraw/zinc/48/29/87/426482987.db2.gz NRIUSKSDUWQELT-HUUCEWRRSA-N 2 1 316.445 2.983 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCC(O)(c3cccnc3)CC2)[C@H](C)C1 ZINC000186335573 426508153 /nfs/dbraw/zinc/50/81/53/426508153.db2.gz NHZXGVJWJWHYCB-ZTRSQXPZSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C1CCC(O)(c2cccnc2)CC1 ZINC000186342104 426509190 /nfs/dbraw/zinc/50/91/90/426509190.db2.gz OFTYRISJOGXEKX-QIOBLTBWSA-N 2 1 317.477 2.530 20 0 DFADMP C[C@@H]([NH2+]CCCn1ccnc1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272377013 426510478 /nfs/dbraw/zinc/51/04/78/426510478.db2.gz BLYZKIICOGYAQU-IEBWSBKVSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1cnn(C)c1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272392644 426515460 /nfs/dbraw/zinc/51/54/60/426515460.db2.gz YCOUZKAIWSPOPQ-SOLBZPMBSA-N 2 1 312.461 2.981 20 0 DFADMP Cc1ccc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)o1 ZINC000288425488 426521953 /nfs/dbraw/zinc/52/19/53/426521953.db2.gz BIAFZZVHVZFCMQ-UHFFFAOYSA-N 2 1 303.406 2.603 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@@H+]1C ZINC000177936919 426543411 /nfs/dbraw/zinc/54/34/11/426543411.db2.gz YHJZYVFFDZJPND-URKNILKWSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@H]1C[C@H]([NH2+][C@@H](c2ccc3c(c2)OCCO3)C2CC2)CC[N@H+]1C ZINC000177936919 426543413 /nfs/dbraw/zinc/54/34/13/426543413.db2.gz YHJZYVFFDZJPND-URKNILKWSA-N 2 1 316.445 2.981 20 0 DFADMP C[C@H]1C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CC[N@H+]1C ZINC000177968738 426547640 /nfs/dbraw/zinc/54/76/40/426547640.db2.gz UUUNHBTVGJRMKJ-FXAWDEMLSA-N 2 1 315.505 2.766 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](CC[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000280332751 426551694 /nfs/dbraw/zinc/55/16/94/426551694.db2.gz HIZITIPCWKAYOG-CEXWTWQISA-N 2 1 300.446 2.619 20 0 DFADMP C[C@H](O)C[C@H](C)C[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272548813 426553731 /nfs/dbraw/zinc/55/37/31/426553731.db2.gz DWFYUNMCQXFHIZ-LSTDLKDCSA-N 2 1 304.478 2.894 20 0 DFADMP COc1ccsc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000186171357 426490900 /nfs/dbraw/zinc/49/09/00/426490900.db2.gz CNFJOZYLWCJZST-ZIAGYGMSSA-N 2 1 324.490 2.908 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195137452 426501810 /nfs/dbraw/zinc/50/18/10/426501810.db2.gz CZNOMDNXQHVUSZ-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195137452 426501811 /nfs/dbraw/zinc/50/18/11/426501811.db2.gz CZNOMDNXQHVUSZ-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195137452 426501816 /nfs/dbraw/zinc/50/18/16/426501816.db2.gz CZNOMDNXQHVUSZ-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000195137452 426501817 /nfs/dbraw/zinc/50/18/17/426501817.db2.gz CZNOMDNXQHVUSZ-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000195137452 426501820 /nfs/dbraw/zinc/50/18/20/426501820.db2.gz CZNOMDNXQHVUSZ-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@H](C)C[C@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000195137452 426501822 /nfs/dbraw/zinc/50/18/22/426501822.db2.gz CZNOMDNXQHVUSZ-IZBJGVDFSA-N 3 1 315.505 2.827 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000177660117 426502084 /nfs/dbraw/zinc/50/20/84/426502084.db2.gz JNARHDWAKCZWKI-MSOLQXFVSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@@H]([NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000195136318 426502864 /nfs/dbraw/zinc/50/28/64/426502864.db2.gz HCRMZRALENMXEA-IEBWSBKVSA-N 2 1 312.461 2.983 20 0 DFADMP C[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000265106324 426582413 /nfs/dbraw/zinc/58/24/13/426582413.db2.gz AWAKBJOZQPTXRE-ZDUSSCGKSA-N 2 1 309.841 2.552 20 0 DFADMP O[C@H](C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000280569530 426602367 /nfs/dbraw/zinc/60/23/67/426602367.db2.gz VMQQARKAHFPKGH-QHAWAJNXSA-N 2 1 322.452 2.784 20 0 DFADMP O[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000280569530 426602370 /nfs/dbraw/zinc/60/23/70/426602370.db2.gz VMQQARKAHFPKGH-QHAWAJNXSA-N 2 1 322.452 2.784 20 0 DFADMP O[C@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000280569530 426602375 /nfs/dbraw/zinc/60/23/75/426602375.db2.gz VMQQARKAHFPKGH-QHAWAJNXSA-N 2 1 322.452 2.784 20 0 DFADMP O[C@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000280569530 426602377 /nfs/dbraw/zinc/60/23/77/426602377.db2.gz VMQQARKAHFPKGH-QHAWAJNXSA-N 2 1 322.452 2.784 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000186878361 426603298 /nfs/dbraw/zinc/60/32/98/426603298.db2.gz WXGHQJMIFOEYKC-VDGAXYAQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186878361 426603303 /nfs/dbraw/zinc/60/33/03/426603303.db2.gz WXGHQJMIFOEYKC-VDGAXYAQSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000186878361 426603305 /nfs/dbraw/zinc/60/33/05/426603305.db2.gz WXGHQJMIFOEYKC-VDGAXYAQSA-N 2 1 315.505 2.969 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CCOc1ccc(F)cc1 ZINC000178333843 426608267 /nfs/dbraw/zinc/60/82/67/426608267.db2.gz GOEHFQDUMPBNPY-MRXNPFEDSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CCOc1ccc(F)cc1 ZINC000178333843 426608271 /nfs/dbraw/zinc/60/82/71/426608271.db2.gz GOEHFQDUMPBNPY-MRXNPFEDSA-N 2 1 303.381 2.874 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000186603163 426561706 /nfs/dbraw/zinc/56/17/06/426561706.db2.gz JHYSYMCGXVNPLN-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+]Cc2cncc(Br)c2)C1 ZINC000186603163 426561710 /nfs/dbraw/zinc/56/17/10/426561710.db2.gz JHYSYMCGXVNPLN-GFCCVEGCSA-N 2 1 312.255 2.666 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000272580061 426564877 /nfs/dbraw/zinc/56/48/77/426564877.db2.gz VBLZRYCDMGCJPB-UBDQQSCGSA-N 2 1 302.462 2.646 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000272580061 426564880 /nfs/dbraw/zinc/56/48/80/426564880.db2.gz VBLZRYCDMGCJPB-UBDQQSCGSA-N 2 1 302.462 2.646 20 0 DFADMP Cc1nc(C[C@@H]2CCC[N@@H+](CCCc3cnccc3C)C2)no1 ZINC000289344299 426631621 /nfs/dbraw/zinc/63/16/21/426631621.db2.gz MFPCIRBHMADORD-INIZCTEOSA-N 2 1 314.433 2.969 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC[N@H+](C2CC2)C1 ZINC000289365970 426637786 /nfs/dbraw/zinc/63/77/86/426637786.db2.gz ZRWHGRQXYXBOPY-LRDDRELGSA-N 2 1 304.409 2.896 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](c1cccs1)C(C)(C)CO ZINC000289372850 426641793 /nfs/dbraw/zinc/64/17/93/426641793.db2.gz PKAHYSBAKYIZQE-OAHLLOKOSA-N 2 1 307.463 2.993 20 0 DFADMP Nc1cc[nH+]cc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000187231467 426641817 /nfs/dbraw/zinc/64/18/17/426641817.db2.gz YHEGXPVDZJBLSJ-UHFFFAOYSA-N 2 1 316.449 2.582 20 0 DFADMP CCCc1cccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)c1 ZINC000289387330 426643718 /nfs/dbraw/zinc/64/37/18/426643718.db2.gz DIPZYOZDGVYBRI-UHFFFAOYSA-N 2 1 303.494 2.708 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1cncc(OC)c1 ZINC000289412632 426649818 /nfs/dbraw/zinc/64/98/18/426649818.db2.gz LZQVHDUBGDAGHC-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cncc(OC)c1 ZINC000289412632 426649823 /nfs/dbraw/zinc/64/98/23/426649823.db2.gz LZQVHDUBGDAGHC-UHFFFAOYSA-N 2 1 302.422 2.761 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@@H+]2CCC[C@H]2C1 ZINC000280796142 426658426 /nfs/dbraw/zinc/65/84/26/426658426.db2.gz VFOCPRNSAJWMPQ-LBPRGKRZSA-N 2 1 301.365 2.667 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[N@H+]2CCC[C@H]2C1 ZINC000280796142 426658430 /nfs/dbraw/zinc/65/84/30/426658430.db2.gz VFOCPRNSAJWMPQ-LBPRGKRZSA-N 2 1 301.365 2.667 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2cccnc2)C2CCC2)CC1 ZINC000280820487 426664366 /nfs/dbraw/zinc/66/43/66/426664366.db2.gz KAARZWNUMPHQIY-LJQANCHMSA-N 2 1 316.493 2.540 20 0 DFADMP Cc1cccc(C)c1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000265640705 426666274 /nfs/dbraw/zinc/66/62/74/426666274.db2.gz JSANHEIEWQTVNH-KRWDZBQOSA-N 2 1 304.478 2.828 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[C@@H]([NH3+])C1 ZINC000236656200 426670656 /nfs/dbraw/zinc/67/06/56/426670656.db2.gz SIUKAJNTMZHHMX-MAUKXSAKSA-N 2 1 317.477 2.661 20 0 DFADMP C[NH2+]CCCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000178690015 426677197 /nfs/dbraw/zinc/67/71/97/426677197.db2.gz CQWSVWLKIAXPMY-HNNXBMFYSA-N 2 1 303.450 2.857 20 0 DFADMP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@H]1CSC[NH2+]1 ZINC000178742480 426685676 /nfs/dbraw/zinc/68/56/76/426685676.db2.gz NXECWNDBJYLHBN-MRXNPFEDSA-N 2 1 319.474 2.664 20 0 DFADMP [NH3+][C@H](C(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1)c1ccccc1 ZINC000238020692 426704360 /nfs/dbraw/zinc/70/43/60/426704360.db2.gz VKWQYUTXIHSKGX-OALUTQOASA-N 2 1 323.440 2.640 20 0 DFADMP C[N@@H+](C[C@H](O)C(C)(C)C)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000290192387 426714167 /nfs/dbraw/zinc/71/41/67/426714167.db2.gz GASRYCWVAYZLMQ-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@H](O)C(C)(C)C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000290192387 426714170 /nfs/dbraw/zinc/71/41/70/426714170.db2.gz GASRYCWVAYZLMQ-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP C[NH+](C[C@H](O)C(C)(C)C)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000290192387 426714171 /nfs/dbraw/zinc/71/41/71/426714171.db2.gz GASRYCWVAYZLMQ-MSOLQXFVSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H]1C[C@H](N(C)Cc2ccc(Br)o2)CC[N@H+]1C ZINC000188075933 426719814 /nfs/dbraw/zinc/71/98/14/426719814.db2.gz PXKFYOXUDHEHDQ-WDEREUQCSA-N 2 1 301.228 2.957 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000290445971 426766976 /nfs/dbraw/zinc/76/69/76/426766976.db2.gz MCIIIAAPVCDROP-QGZVFWFLSA-N 2 1 315.461 2.809 20 0 DFADMP CCSCC[N@H+]1CC[C@H](CN(C)Cc2scnc2C)C1 ZINC000188648155 426771937 /nfs/dbraw/zinc/77/19/37/426771937.db2.gz YICAVXLEYTZBGJ-CQSZACIVSA-N 2 1 313.536 2.958 20 0 DFADMP CC(C)[C@@H](C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1)[NH+](C)C ZINC000281861036 426779753 /nfs/dbraw/zinc/77/97/53/426779753.db2.gz ZQJIDRQEIWNTAB-HNNXBMFYSA-N 2 1 311.857 2.926 20 0 DFADMP O[C@H]1C[C@H](c2cccc(F)c2)[N@@H+](Cc2cccc3nccn32)C1 ZINC000281895816 426787480 /nfs/dbraw/zinc/78/74/80/426787480.db2.gz YQKGMXONCWSJHP-DLBZAZTESA-N 2 1 311.360 2.781 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000290288733 426732550 /nfs/dbraw/zinc/73/25/50/426732550.db2.gz MQVDOLPGWFWASM-WJFTUGDTSA-N 2 1 300.446 2.666 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)cc(OC)c1 ZINC000290298784 426737196 /nfs/dbraw/zinc/73/71/96/426737196.db2.gz BASPHVWJFDFMSV-QGZVFWFLSA-N 2 1 318.461 2.868 20 0 DFADMP CC(C)[NH+](CCCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)C(C)C ZINC000245414898 426737629 /nfs/dbraw/zinc/73/76/29/426737629.db2.gz CUXOCBVJEXLEFE-IXDOHACOSA-N 2 1 311.514 2.873 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000290359776 426749513 /nfs/dbraw/zinc/74/95/13/426749513.db2.gz GTTQDYIPGKPFSF-NVXWUHKLSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@H]2C)cn1 ZINC000290359776 426749519 /nfs/dbraw/zinc/74/95/19/426749519.db2.gz GTTQDYIPGKPFSF-NVXWUHKLSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@H]2C)cn1 ZINC000290359776 426749522 /nfs/dbraw/zinc/74/95/22/426749522.db2.gz GTTQDYIPGKPFSF-NVXWUHKLSA-N 2 1 304.482 2.698 20 0 DFADMP CC(C)N(C)c1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@H]2C)cn1 ZINC000290359776 426749528 /nfs/dbraw/zinc/74/95/28/426749528.db2.gz GTTQDYIPGKPFSF-NVXWUHKLSA-N 2 1 304.482 2.698 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000245575643 426753764 /nfs/dbraw/zinc/75/37/64/426753764.db2.gz AXDYKRBAGZXKHG-DLBZAZTESA-N 2 1 302.466 2.608 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000245575643 426753768 /nfs/dbraw/zinc/75/37/68/426753768.db2.gz AXDYKRBAGZXKHG-DLBZAZTESA-N 2 1 302.466 2.608 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000245575643 426753773 /nfs/dbraw/zinc/75/37/73/426753773.db2.gz AXDYKRBAGZXKHG-DLBZAZTESA-N 2 1 302.466 2.608 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CC2CCN(CC(F)(F)F)CC2)[C@H](C)C1 ZINC000188522100 426759646 /nfs/dbraw/zinc/75/96/46/426759646.db2.gz VICXKZDIFXXNMO-UKRRQHHQSA-N 2 1 321.431 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CC1CCN(CC(F)(F)F)CC1 ZINC000188515217 426759814 /nfs/dbraw/zinc/75/98/14/426759814.db2.gz JDRIIXPNAIYKJF-UMVBOHGHSA-N 2 1 321.431 2.579 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@H]2C)C1 ZINC000246375440 426826884 /nfs/dbraw/zinc/82/68/84/426826884.db2.gz HWPCHTKNVOMSSS-ZJPYXAASSA-N 2 1 323.525 2.732 20 0 DFADMP c1ccc2c(c1)CO[C@@]21CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189222116 426830449 /nfs/dbraw/zinc/83/04/49/426830449.db2.gz YDXXKZYLJGCPGV-LJQANCHMSA-N 2 1 300.446 2.994 20 0 DFADMP c1ccc2c(c1)CO[C@@]21CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000189222116 426830454 /nfs/dbraw/zinc/83/04/54/426830454.db2.gz YDXXKZYLJGCPGV-LJQANCHMSA-N 2 1 300.446 2.994 20 0 DFADMP C[C@@H]([NH2+]CCC[C@H](C)CO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274758198 426831568 /nfs/dbraw/zinc/83/15/68/426831568.db2.gz JMEJZJNGOBVADA-YQVWRLOYSA-N 2 1 304.478 2.895 20 0 DFADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1F ZINC000282125048 426833466 /nfs/dbraw/zinc/83/34/66/426833466.db2.gz AZVDVZRDYDMLIU-QGZVFWFLSA-N 2 1 307.457 2.892 20 0 DFADMP COc1cc(C[NH+]2CCC(Cc3[nH+]ccn3C)CC2)ccc1O ZINC000180078630 426833762 /nfs/dbraw/zinc/83/37/62/426833762.db2.gz LDOXHKSIPNOHBP-UHFFFAOYSA-N 2 1 315.417 2.589 20 0 DFADMP CC[C@H](COC)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180166620 426841310 /nfs/dbraw/zinc/84/13/10/426841310.db2.gz XCVPNHCBSZQBKS-ZSYWTGECSA-N 2 1 302.462 2.912 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000246506548 426841964 /nfs/dbraw/zinc/84/19/64/426841964.db2.gz HYKDENQFQPNTBO-FUHWJXTLSA-N 2 1 317.477 2.702 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000246506548 426841970 /nfs/dbraw/zinc/84/19/70/426841970.db2.gz HYKDENQFQPNTBO-FUHWJXTLSA-N 2 1 317.477 2.702 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)[C@@H](C)C1 ZINC000246506548 426841971 /nfs/dbraw/zinc/84/19/71/426841971.db2.gz HYKDENQFQPNTBO-FUHWJXTLSA-N 2 1 317.477 2.702 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563551 426792532 /nfs/dbraw/zinc/79/25/32/426792532.db2.gz SLZXGORMCGBFLE-OALUTQOASA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563551 426792536 /nfs/dbraw/zinc/79/25/36/426792536.db2.gz SLZXGORMCGBFLE-OALUTQOASA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2CCCc2ccc3c(c2)CCO3)C1 ZINC000290563551 426792543 /nfs/dbraw/zinc/79/25/43/426792543.db2.gz SLZXGORMCGBFLE-OALUTQOASA-N 2 1 314.473 2.970 20 0 DFADMP CO[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000188831624 426793515 /nfs/dbraw/zinc/79/35/15/426793515.db2.gz HNWYQWOEZFWLMS-RTBURBONSA-N 2 1 302.462 2.851 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cc3ccccc3[nH]c2=O)C1 ZINC000290572589 426794847 /nfs/dbraw/zinc/79/48/47/426794847.db2.gz TYLIZTDYLGBNII-YJBOKZPZSA-N 2 1 311.429 2.857 20 0 DFADMP CCCn1ccnc1CCC[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000290570151 426796274 /nfs/dbraw/zinc/79/62/74/426796274.db2.gz SZWZCYGUCWFNNC-UHFFFAOYSA-N 2 1 321.494 2.880 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1cnc(N(C)C)s1 ZINC000290570151 426796282 /nfs/dbraw/zinc/79/62/82/426796282.db2.gz SZWZCYGUCWFNNC-UHFFFAOYSA-N 2 1 321.494 2.880 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000247225069 426916496 /nfs/dbraw/zinc/91/64/96/426916496.db2.gz XXQGVPXXOMALPM-YKTARERQSA-N 2 1 319.468 2.970 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](C[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954996 426918166 /nfs/dbraw/zinc/91/81/66/426918166.db2.gz IEZZAPMJLTYDHO-GUDVDZBRSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954996 426918174 /nfs/dbraw/zinc/91/81/74/426918174.db2.gz IEZZAPMJLTYDHO-GUDVDZBRSA-N 2 1 300.446 2.619 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](C[C@H]4CCCO4)C[C@H]3C2)cc1 ZINC000309954996 426918179 /nfs/dbraw/zinc/91/81/79/426918179.db2.gz IEZZAPMJLTYDHO-GUDVDZBRSA-N 2 1 300.446 2.619 20 0 DFADMP C[NH+](C)CCC1CC[NH+](Cc2nnc(C3CC3)n2C2CC2)CC1 ZINC000181133902 426918288 /nfs/dbraw/zinc/91/82/88/426918288.db2.gz CXBPMLBUNAZHDD-UHFFFAOYSA-N 2 1 317.481 2.654 20 0 DFADMP CC(C)[C@H](Cc1ccccc1)[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000282232569 426861370 /nfs/dbraw/zinc/86/13/70/426861370.db2.gz IPERDXPNHRLMOK-IBGZPJMESA-N 2 1 317.521 2.869 20 0 DFADMP CCn1cc(CN[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000267283417 426861613 /nfs/dbraw/zinc/86/16/13/426861613.db2.gz PLPFROBNRWRWBM-APWZRJJASA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)cn1 ZINC000267283417 426861619 /nfs/dbraw/zinc/86/16/19/426861619.db2.gz PLPFROBNRWRWBM-APWZRJJASA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000267283417 426861624 /nfs/dbraw/zinc/86/16/24/426861624.db2.gz PLPFROBNRWRWBM-APWZRJJASA-N 2 1 312.461 2.903 20 0 DFADMP CCn1cc(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000267283417 426861627 /nfs/dbraw/zinc/86/16/27/426861627.db2.gz PLPFROBNRWRWBM-APWZRJJASA-N 2 1 312.461 2.903 20 0 DFADMP Cc1ccoc1C[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000267292400 426867016 /nfs/dbraw/zinc/86/70/16/426867016.db2.gz RURWRCLJOGNYOY-UHFFFAOYSA-N 2 1 314.429 2.835 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c2nccn21 ZINC000295224063 426868920 /nfs/dbraw/zinc/86/89/20/426868920.db2.gz NALJCGOBQPQYHD-YOEHRIQHSA-N 2 1 314.433 2.619 20 0 DFADMP CN(C)C[C@@H]1C[N@@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000189510283 426873956 /nfs/dbraw/zinc/87/39/56/426873956.db2.gz VMCZNTOLNDQZIW-IPMKNSEASA-N 2 1 302.462 2.759 20 0 DFADMP CN(C)C[C@@H]1C[N@H+]([C@H]2CC[C@@](C)(c3ccccc3)C2)CCO1 ZINC000189510283 426873960 /nfs/dbraw/zinc/87/39/60/426873960.db2.gz VMCZNTOLNDQZIW-IPMKNSEASA-N 2 1 302.462 2.759 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c(-c2ccccc2)n1 ZINC000275602471 426876654 /nfs/dbraw/zinc/87/66/54/426876654.db2.gz QMDMENUUYJHPKY-OAHLLOKOSA-N 2 1 321.428 2.636 20 0 DFADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCCO2 ZINC000305115101 426879771 /nfs/dbraw/zinc/87/97/71/426879771.db2.gz HRFZKUWAEARESC-AEFFLSMTSA-N 2 1 318.461 2.563 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CC[N@H+](C4CC4)C3)s2)cn1 ZINC000282320118 426881917 /nfs/dbraw/zinc/88/19/17/426881917.db2.gz UCVOLDFNVYULGF-CYBMUJFWSA-N 2 1 316.474 2.723 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cnc([C@H]3CCCO3)s1)C2 ZINC000275646381 426885057 /nfs/dbraw/zinc/88/50/57/426885057.db2.gz UBPMUUCIZLCATK-GXTWGEPZSA-N 2 1 318.446 2.543 20 0 DFADMP CC(=O)Nc1ccc(CC[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)cc1 ZINC000246966910 426886161 /nfs/dbraw/zinc/88/61/61/426886161.db2.gz JCWOKPLSMXLYPS-PMUMKWKESA-N 2 1 303.450 2.506 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000246981244 426886712 /nfs/dbraw/zinc/88/67/12/426886712.db2.gz JRFDZEOIIHPICE-IIDMSEBBSA-N 2 1 323.525 2.732 20 0 DFADMP CCOCc1cc(C[N@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC ZINC000275652445 426886800 /nfs/dbraw/zinc/88/68/00/426886800.db2.gz KRBAXYZRQKCINU-MRXNPFEDSA-N 2 1 306.450 2.615 20 0 DFADMP CCOCc1cc(C[N@@H+](C)C[C@@H]2CC[NH+](C)C2)ccc1OC ZINC000275652445 426886808 /nfs/dbraw/zinc/88/68/08/426886808.db2.gz KRBAXYZRQKCINU-MRXNPFEDSA-N 2 1 306.450 2.615 20 0 DFADMP CCOCc1cc(C[NH+](C)C[C@@H]2CC[N@H+](C)C2)ccc1OC ZINC000275652445 426886815 /nfs/dbraw/zinc/88/68/15/426886815.db2.gz KRBAXYZRQKCINU-MRXNPFEDSA-N 2 1 306.450 2.615 20 0 DFADMP CCOCc1cc(C[NH+](C)C[C@@H]2CC[N@@H+](C)C2)ccc1OC ZINC000275652445 426886820 /nfs/dbraw/zinc/88/68/20/426886820.db2.gz KRBAXYZRQKCINU-MRXNPFEDSA-N 2 1 306.450 2.615 20 0 DFADMP C[C@]1(CO)CCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000305147758 426887049 /nfs/dbraw/zinc/88/70/49/426887049.db2.gz NWVWIZIOBFVAOE-WOJBJXKFSA-N 2 1 316.489 2.834 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+](C)C)C(c1ccccc1)c1ccccc1 ZINC000305154699 426889678 /nfs/dbraw/zinc/88/96/78/426889678.db2.gz VKMIBLMFJXVAQU-LPHOPBHVSA-N 2 1 312.457 2.719 20 0 DFADMP Cn1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000291472143 426892466 /nfs/dbraw/zinc/89/24/66/426892466.db2.gz PGWSEHCYRVCCQC-UHFFFAOYSA-N 2 1 324.472 2.908 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000268033297 426896164 /nfs/dbraw/zinc/89/61/64/426896164.db2.gz MZXHRBFEFMEAGW-HNNXBMFYSA-N 2 1 323.506 2.804 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1sccc1C[NH+](C)C ZINC000268033297 426896169 /nfs/dbraw/zinc/89/61/69/426896169.db2.gz MZXHRBFEFMEAGW-HNNXBMFYSA-N 2 1 323.506 2.804 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CCC1 ZINC000275685221 426896882 /nfs/dbraw/zinc/89/68/82/426896882.db2.gz IQTQWEOXYQMIFF-HKUYNNGSSA-N 2 1 315.505 2.971 20 0 DFADMP CCOc1ccc([C@@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000282417678 426908151 /nfs/dbraw/zinc/90/81/51/426908151.db2.gz SKAYTHRUWYRZFJ-MRXNPFEDSA-N 2 1 319.493 2.762 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)Cc1ccc(F)c(Cl)c1 ZINC000189781645 426950040 /nfs/dbraw/zinc/95/00/40/426950040.db2.gz KNJPLPHMQPPAQD-UHFFFAOYSA-N 2 1 313.848 2.548 20 0 DFADMP Cc1cccc(OC[C@H](O)C[N@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247556310 426950062 /nfs/dbraw/zinc/95/00/62/426950062.db2.gz QIYWIVNNSUCZMI-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@H](O)C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)c1 ZINC000247556310 426950068 /nfs/dbraw/zinc/95/00/68/426950068.db2.gz QIYWIVNNSUCZMI-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@H](O)C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000247556310 426950073 /nfs/dbraw/zinc/95/00/73/426950073.db2.gz QIYWIVNNSUCZMI-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1cccc(OC[C@H](O)C[NH+](C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000247556310 426950079 /nfs/dbraw/zinc/95/00/79/426950079.db2.gz QIYWIVNNSUCZMI-QZTJIDSGSA-N 2 1 320.477 2.541 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000337779720 426967598 /nfs/dbraw/zinc/96/75/98/426967598.db2.gz AJKOYEVEELWSEZ-MSOLQXFVSA-N 2 1 302.462 2.913 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCOC1 ZINC000337779720 426967608 /nfs/dbraw/zinc/96/76/08/426967608.db2.gz AJKOYEVEELWSEZ-MSOLQXFVSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)CC[N@H+]1C ZINC000247971991 426971427 /nfs/dbraw/zinc/97/14/27/426971427.db2.gz JRHBUOZBHDNCLJ-BHIYHBOVSA-N 2 1 301.478 2.896 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248036631 426974944 /nfs/dbraw/zinc/97/49/44/426974944.db2.gz RRVAVARMMSPTAP-WMLDXEAASA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248036631 426974951 /nfs/dbraw/zinc/97/49/51/426974951.db2.gz RRVAVARMMSPTAP-WMLDXEAASA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3cccc(F)c3)CC[C@H]21 ZINC000248036631 426974957 /nfs/dbraw/zinc/97/49/57/426974957.db2.gz RRVAVARMMSPTAP-WMLDXEAASA-N 2 1 319.424 2.570 20 0 DFADMP Cc1nnsc1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000291772561 426983445 /nfs/dbraw/zinc/98/34/45/426983445.db2.gz SZURPWHEGZWBSA-UHFFFAOYSA-N 2 1 302.447 2.601 20 0 DFADMP Cc1ccc(CCC[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000181831448 426985657 /nfs/dbraw/zinc/98/56/57/426985657.db2.gz ZTPBQTVJOUGOJB-SFHVURJKSA-N 2 1 318.505 2.952 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)C[NH+](C)C ZINC000291804129 426992398 /nfs/dbraw/zinc/99/23/98/426992398.db2.gz XOJKIZCGURWZFA-ZIFCJYIRSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)C[NH+](C)C ZINC000291804129 426992405 /nfs/dbraw/zinc/99/24/05/426992405.db2.gz XOJKIZCGURWZFA-ZIFCJYIRSA-N 3 1 303.494 2.827 20 0 DFADMP C[C@H]1CC[N@@H+](CCOCC(F)(F)C(F)F)C[C@@H]1n1ccnc1 ZINC000189721886 426933130 /nfs/dbraw/zinc/93/31/30/426933130.db2.gz OTZYAHSIBRDHBZ-RYUDHWBXSA-N 2 1 323.334 2.683 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@H]1CCC[NH+](CC2=CCCOC2)CC1 ZINC000275866585 426935721 /nfs/dbraw/zinc/93/57/21/426935721.db2.gz XUSBVNNVSZJAJE-IBGZPJMESA-N 2 1 315.461 2.715 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@H]1CCC[NH+](CC2=CCCOC2)CC1 ZINC000275866585 426935724 /nfs/dbraw/zinc/93/57/24/426935724.db2.gz XUSBVNNVSZJAJE-IBGZPJMESA-N 2 1 315.461 2.715 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@H+](CC2=CCCOC2)CC1 ZINC000275866585 426935729 /nfs/dbraw/zinc/93/57/29/426935729.db2.gz XUSBVNNVSZJAJE-IBGZPJMESA-N 2 1 315.461 2.715 20 0 DFADMP C[NH+](Cc1ccccn1)[C@H]1CCC[N@@H+](CC2=CCCOC2)CC1 ZINC000275866585 426935735 /nfs/dbraw/zinc/93/57/35/426935735.db2.gz XUSBVNNVSZJAJE-IBGZPJMESA-N 2 1 315.461 2.715 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(CN3C[C@@H](CC(C)(C)C)OC3=O)CC[C@@H]21 ZINC000248884006 427057403 /nfs/dbraw/zinc/05/74/03/427057403.db2.gz DPAXDJHWKZIPIV-OAGGEKHMSA-N 2 1 323.481 2.617 20 0 DFADMP CC(C)[C@H](O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248404747 426996305 /nfs/dbraw/zinc/99/63/05/426996305.db2.gz QPYJNPYVUKCFQP-MTQWCTHYSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000248406186 426996449 /nfs/dbraw/zinc/99/64/49/426996449.db2.gz BRGYAFVFNIOCQH-YSTOQKLRSA-N 2 1 316.489 2.894 20 0 DFADMP C[C@H](CCNC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C)[NH+]1CCCCC1 ZINC000248441888 426999980 /nfs/dbraw/zinc/99/99/80/426999980.db2.gz AFMJVVWTXVHKMX-WCXIOVBPSA-N 2 1 309.498 2.628 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000248435404 427001250 /nfs/dbraw/zinc/00/12/50/427001250.db2.gz ACUPIHGVBNNMEG-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000248435404 427001258 /nfs/dbraw/zinc/00/12/58/427001258.db2.gz ACUPIHGVBNNMEG-JKSUJKDBSA-N 2 1 310.482 2.915 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)F ZINC000276205140 427007040 /nfs/dbraw/zinc/00/70/40/427007040.db2.gz JXGMSQLNSYUEMF-GDBMZVCRSA-N 2 1 312.404 2.768 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOCC(F)F ZINC000276205140 427007044 /nfs/dbraw/zinc/00/70/44/427007044.db2.gz JXGMSQLNSYUEMF-GDBMZVCRSA-N 2 1 312.404 2.768 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000248500770 427007640 /nfs/dbraw/zinc/00/76/40/427007640.db2.gz SSSOOKCXDAVXFA-IRXDYDNUSA-N 2 1 309.498 2.630 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCCCC(=O)OC(C)(C)C)CC[C@H]21 ZINC000182028171 427008102 /nfs/dbraw/zinc/00/81/02/427008102.db2.gz ACUPIHGVBNNMEG-HZPDHXFCSA-N 2 1 310.482 2.915 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccc4c(c3)CCO4)CC[C@@H]21 ZINC000190055864 427010261 /nfs/dbraw/zinc/01/02/61/427010261.db2.gz UZXXOBSNONMZNC-OALUTQOASA-N 2 1 314.473 2.970 20 0 DFADMP Cc1nonc1CN[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000276302127 427030798 /nfs/dbraw/zinc/03/07/98/427030798.db2.gz XGCZUYITTKRFEK-UOIKSKOESA-N 2 1 314.433 2.624 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCC(=O)c2ccccc2)CC1 ZINC000182238372 427034280 /nfs/dbraw/zinc/03/42/80/427034280.db2.gz DFWBOWAFQDBLHP-UHFFFAOYSA-N 2 1 311.429 2.948 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCC[C@@H]1CCCF ZINC000337991103 427080369 /nfs/dbraw/zinc/08/03/69/427080369.db2.gz WSGFJAYLXZKXIW-IKGGRYGDSA-N 2 1 300.462 2.731 20 0 DFADMP C[C@@H]1CSCC[NH+](C/C=C/C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000249132833 427092101 /nfs/dbraw/zinc/09/21/01/427092101.db2.gz YFNVXGVTBIKNBF-PIGHNIFASA-N 2 1 314.564 2.912 20 0 DFADMP COCCOCCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268708078 427097016 /nfs/dbraw/zinc/09/70/16/427097016.db2.gz CMOXYQXWPPUAME-MJGOQNOKSA-N 2 1 320.477 2.540 20 0 DFADMP COCCOCCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268708078 427097020 /nfs/dbraw/zinc/09/70/20/427097020.db2.gz CMOXYQXWPPUAME-MJGOQNOKSA-N 2 1 320.477 2.540 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338021656 427097441 /nfs/dbraw/zinc/09/74/41/427097441.db2.gz XHHGNJWWQJDHKJ-QRQLOZEOSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)CC1(C)C ZINC000338021656 427097448 /nfs/dbraw/zinc/09/74/48/427097448.db2.gz XHHGNJWWQJDHKJ-QRQLOZEOSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338021656 427097456 /nfs/dbraw/zinc/09/74/56/427097456.db2.gz XHHGNJWWQJDHKJ-QRQLOZEOSA-N 2 1 315.505 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)C[C@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338021656 427097463 /nfs/dbraw/zinc/09/74/63/427097463.db2.gz XHHGNJWWQJDHKJ-QRQLOZEOSA-N 2 1 315.505 2.827 20 0 DFADMP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268736311 427105539 /nfs/dbraw/zinc/10/55/39/427105539.db2.gz BQYWMOHNGTVPMM-AEFFLSMTSA-N 2 1 317.477 2.544 20 0 DFADMP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268736311 427105544 /nfs/dbraw/zinc/10/55/44/427105544.db2.gz BQYWMOHNGTVPMM-AEFFLSMTSA-N 2 1 317.477 2.544 20 0 DFADMP CC[NH+](CC)CCN[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268734917 427107161 /nfs/dbraw/zinc/10/71/61/427107161.db2.gz VHTOMYASTFDZLX-MJGOQNOKSA-N 2 1 303.494 2.828 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)N(C)C)c1 ZINC000249319649 427107354 /nfs/dbraw/zinc/10/73/54/427107354.db2.gz PVHPHNNCYTUWBV-SFUIVIKGSA-N 2 1 319.493 2.616 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@@H]2C)[NH+](C)C)c1 ZINC000249319649 427107359 /nfs/dbraw/zinc/10/73/59/427107359.db2.gz PVHPHNNCYTUWBV-SFUIVIKGSA-N 2 1 319.493 2.616 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)[NH+](C)C)c1 ZINC000249319649 427107364 /nfs/dbraw/zinc/10/73/64/427107364.db2.gz PVHPHNNCYTUWBV-SFUIVIKGSA-N 2 1 319.493 2.616 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(COC)c2)C1 ZINC000249385059 427109381 /nfs/dbraw/zinc/10/93/81/427109381.db2.gz YEYCBOAIATVNRP-CABCVRRESA-N 2 1 306.450 2.834 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc([S@](C)=O)cc1 ZINC000268766991 427109930 /nfs/dbraw/zinc/10/99/30/427109930.db2.gz JTFYFMRKPLXUGH-FAIQAVJNSA-N 2 1 306.475 2.701 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338046833 427111222 /nfs/dbraw/zinc/11/12/22/427111222.db2.gz LNRWEJUEUQZZMR-YPLQCARHSA-N 2 1 323.525 2.730 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000338046833 427111227 /nfs/dbraw/zinc/11/12/27/427111227.db2.gz LNRWEJUEUQZZMR-YPLQCARHSA-N 2 1 323.525 2.730 20 0 DFADMP C[C@H](C(=O)N[C@@H](C)C[NH+]1C[C@H](C)C[C@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338046833 427111230 /nfs/dbraw/zinc/11/12/30/427111230.db2.gz LNRWEJUEUQZZMR-YPLQCARHSA-N 2 1 323.525 2.730 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCn2cccn2)CC[N@@H+]1Cc1ccccc1 ZINC000268773441 427112403 /nfs/dbraw/zinc/11/24/03/427112403.db2.gz UQTSPLZYXGKTQC-IEBWSBKVSA-N 2 1 312.461 2.916 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCCn2cccn2)CC[N@H+]1Cc1ccccc1 ZINC000268773441 427112407 /nfs/dbraw/zinc/11/24/07/427112407.db2.gz UQTSPLZYXGKTQC-IEBWSBKVSA-N 2 1 312.461 2.916 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283997973 427115375 /nfs/dbraw/zinc/11/53/75/427115375.db2.gz NKOCEWUILFFUQQ-INIZCTEOSA-N 2 1 323.400 2.571 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C(=O)N2CC[NH+](C)CC2)cc1)C(C)(C)C ZINC000268785250 427116291 /nfs/dbraw/zinc/11/62/91/427116291.db2.gz BEBYHYYVNSOYAE-HNNXBMFYSA-N 2 1 317.477 2.598 20 0 DFADMP Cc1cccnc1C[N@@H+]1CC[C@H](CN(C)Cc2cccnc2)C1 ZINC000190481110 427120477 /nfs/dbraw/zinc/12/04/77/427120477.db2.gz ZFPUASKZXXPANT-GOSISDBHSA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cccnc1CN1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000190481110 427120485 /nfs/dbraw/zinc/12/04/85/427120485.db2.gz ZFPUASKZXXPANT-GOSISDBHSA-N 2 1 310.445 2.739 20 0 DFADMP Cc1cccnc1CN1CC[C@H](C[N@H+](C)Cc2cccnc2)C1 ZINC000190481110 427120493 /nfs/dbraw/zinc/12/04/93/427120493.db2.gz ZFPUASKZXXPANT-GOSISDBHSA-N 2 1 310.445 2.739 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268799203 427122040 /nfs/dbraw/zinc/12/20/40/427122040.db2.gz XVZNWRKZQRATAS-QYZOEREBSA-N 2 1 320.452 2.990 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000268799203 427122044 /nfs/dbraw/zinc/12/20/44/427122044.db2.gz XVZNWRKZQRATAS-QYZOEREBSA-N 2 1 320.452 2.990 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)CC[C@@H]2CCC[NH2+]2)c1 ZINC000292192695 427126301 /nfs/dbraw/zinc/12/63/01/427126301.db2.gz XRHABOZXYCRKOE-SFHVURJKSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CC[N@@H+]1Cc1ccccc1 ZINC000268818023 427127580 /nfs/dbraw/zinc/12/75/80/427127580.db2.gz WTDSZOWYKLUMQA-APWZRJJASA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2cnn(C)c2)CC[N@H+]1Cc1ccccc1 ZINC000268818023 427127588 /nfs/dbraw/zinc/12/75/88/427127588.db2.gz WTDSZOWYKLUMQA-APWZRJJASA-N 2 1 312.461 2.605 20 0 DFADMP C[NH+]1CCC([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1 ZINC000277060997 427132291 /nfs/dbraw/zinc/13/22/91/427132291.db2.gz HYJDCGSZHGTPBE-RBUKOAKNSA-N 2 1 320.452 2.583 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000284105225 427133361 /nfs/dbraw/zinc/13/33/61/427133361.db2.gz YGTULXUWLWIVEM-UHFFFAOYSA-N 2 1 314.433 2.671 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)[C@@H](C)C1 ZINC000268902955 427138461 /nfs/dbraw/zinc/13/84/61/427138461.db2.gz DEXZCPWOITWQBE-QCBOUXAHSA-N 2 1 308.491 2.805 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCC(=O)Nc3ccccc3Cl)C2)C1 ZINC000292245228 427144907 /nfs/dbraw/zinc/14/49/07/427144907.db2.gz XCMBRPLUBVMHGL-QGZVFWFLSA-N 2 1 321.852 2.696 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)cc1O ZINC000277296043 427154779 /nfs/dbraw/zinc/15/47/79/427154779.db2.gz USGPNEGLNOIJBP-USXIJHARSA-N 2 1 318.461 2.938 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+]3CCCC[C@H]23)cc1O ZINC000277296043 427154792 /nfs/dbraw/zinc/15/47/92/427154792.db2.gz USGPNEGLNOIJBP-USXIJHARSA-N 2 1 318.461 2.938 20 0 DFADMP CCCC[N@@H+](CC)Cc1cccc(CNC(=O)[C@@H](C)C[NH2+]C)c1 ZINC000269263015 427155184 /nfs/dbraw/zinc/15/51/84/427155184.db2.gz NMZVLRYFHIYWLT-INIZCTEOSA-N 2 1 319.493 2.780 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](Cc2cccc(OC)c2)C2CC2)C1 ZINC000121094954 271019578 /nfs/dbraw/zinc/01/95/78/271019578.db2.gz GCKVTHZLLWPQHF-APWZRJJASA-N 2 1 302.462 2.948 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH3+])cc1 ZINC000269296415 427162562 /nfs/dbraw/zinc/16/25/62/427162562.db2.gz WBVRIMHTEXSSFX-ZWKOTPCHSA-N 2 1 317.477 2.776 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(O)CCC1 ZINC000284243694 427162970 /nfs/dbraw/zinc/16/29/70/427162970.db2.gz FFFFBTRGESLWSP-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C(C)(C)n2cncn2)c1 ZINC000284252823 427166756 /nfs/dbraw/zinc/16/67/56/427166756.db2.gz VTSVDFPIYZVNKD-HNNXBMFYSA-N 2 1 315.465 2.643 20 0 DFADMP C[C@H]1C[C@H](N(C)C(=O)Nc2cccc(C[NH+](C)C)c2)CC[N@H+]1C ZINC000174868296 271141235 /nfs/dbraw/zinc/14/12/35/271141235.db2.gz SPTVYPVPHPOIHJ-WMLDXEAASA-N 2 1 318.465 2.695 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(O)CCC1 ZINC000284243700 427164287 /nfs/dbraw/zinc/16/42/87/427164287.db2.gz FFFFBTRGESLWSP-SJLPKXTDSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C(C)(C)C[NH3+])cc1 ZINC000237341946 271246773 /nfs/dbraw/zinc/24/67/73/271246773.db2.gz DKZYHZVTMVQUDT-CQSZACIVSA-N 2 1 303.450 2.984 20 0 DFADMP C[C@H]([NH2+]CC1(C)OCCCO1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000277335394 427170178 /nfs/dbraw/zinc/17/01/78/427170178.db2.gz UPKGTVSJFMWRPJ-WMZOPIPTSA-N 2 1 318.461 2.640 20 0 DFADMP C[N@@H+](CCC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285527714 271342709 /nfs/dbraw/zinc/34/27/09/271342709.db2.gz OXWJFDBNKATFBZ-SJPCQFCGSA-N 2 1 301.434 2.572 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285527714 271342711 /nfs/dbraw/zinc/34/27/11/271342711.db2.gz OXWJFDBNKATFBZ-SJPCQFCGSA-N 2 1 301.434 2.572 20 0 DFADMP C[NH+](CCC(=O)Nc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285527714 271342713 /nfs/dbraw/zinc/34/27/13/271342713.db2.gz OXWJFDBNKATFBZ-SJPCQFCGSA-N 2 1 301.434 2.572 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NCC[C@H](C)[NH+]2CCCCC2)n1 ZINC000302186426 271363105 /nfs/dbraw/zinc/36/31/05/271363105.db2.gz UKJHGELPZNXTSY-AWEZNQCLSA-N 2 1 314.437 2.647 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)no1 ZINC000333860834 271396994 /nfs/dbraw/zinc/39/69/94/271396994.db2.gz PVFGAGOJTGUEPW-WBVHZDCISA-N 2 1 321.465 2.690 20 0 DFADMP CCCc1ccc2[nH+]ccc(NCC[NH+]3CCN(C)CC3)c2c1 ZINC000296453099 427184802 /nfs/dbraw/zinc/18/48/02/427184802.db2.gz IUSMZAREWNUQKN-UHFFFAOYSA-N 2 1 312.461 2.847 20 0 DFADMP CC[C@@H]1CCC[C@@H](C[N@H+]2CC[C@H](N3CC[NH+](CC)CC3)C2)C1 ZINC000183050544 427189819 /nfs/dbraw/zinc/18/98/19/427189819.db2.gz BHMOUDWRJXTHCV-QRVBRYPASA-N 2 1 307.526 2.915 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc(OCC3CC3)cc2)CC1 ZINC000190876204 427192778 /nfs/dbraw/zinc/19/27/78/427192778.db2.gz JBQDHGLNOFRRGD-UHFFFAOYSA-N 2 1 318.461 2.676 20 0 DFADMP C[N@H+]1CCN(CCC[NH+]2CCCCC2)C[C@H]1Cc1ccccc1 ZINC000284960391 427202196 /nfs/dbraw/zinc/20/21/96/427202196.db2.gz ZVHBOPGGRONZRE-HXUWFJFHSA-N 2 1 315.505 2.721 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H]2OCC[N@H+](C)[C@@H]2C1 ZINC000285090752 427209074 /nfs/dbraw/zinc/20/90/74/427209074.db2.gz QEJPNXUBRYKJGC-SJORKVTESA-N 2 1 311.429 2.761 20 0 DFADMP CCCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183148533 427211839 /nfs/dbraw/zinc/21/18/39/427211839.db2.gz KTSYENGEHYIMES-ZIAGYGMSSA-N 2 1 314.433 2.746 20 0 DFADMP C[N@@H+](Cc1cccc2nsnc21)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000285379776 427214183 /nfs/dbraw/zinc/21/41/83/427214183.db2.gz CTMCHTFPBCHTBG-PBWFPOADSA-N 2 1 302.447 2.748 20 0 DFADMP C[NH+](Cc1cccc2nsnc21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285379776 427214190 /nfs/dbraw/zinc/21/41/90/427214190.db2.gz CTMCHTFPBCHTBG-PBWFPOADSA-N 2 1 302.447 2.748 20 0 DFADMP C[NH+](Cc1cccc2nsnc21)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000285379776 427214197 /nfs/dbraw/zinc/21/41/97/427214197.db2.gz CTMCHTFPBCHTBG-PBWFPOADSA-N 2 1 302.447 2.748 20 0 DFADMP CCn1ccnc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296554419 427221062 /nfs/dbraw/zinc/22/10/62/427221062.db2.gz RSFMFERTIPYABK-OAHLLOKOSA-N 2 1 316.449 2.694 20 0 DFADMP OCC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000183234142 427228448 /nfs/dbraw/zinc/22/84/48/427228448.db2.gz CTRYGMVMZUDBPG-UHFFFAOYSA-N 2 1 320.452 2.585 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](CC(=O)N(C)C)c1ccccc1 ZINC000338276545 427228893 /nfs/dbraw/zinc/22/88/93/427228893.db2.gz BBSACMHCVUKVEL-KRWDZBQOSA-N 2 1 305.466 2.528 20 0 DFADMP C[C@@H](C[NH2+]CCC[N@H+]1CCCO[C@H](C)C1)Cc1ccccc1 ZINC000277546813 427238570 /nfs/dbraw/zinc/23/85/70/427238570.db2.gz QSCJSYKPFPFZGG-QZTJIDSGSA-N 2 1 304.478 2.956 20 0 DFADMP CCOC1CC(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000285466258 427240724 /nfs/dbraw/zinc/24/07/24/427240724.db2.gz ZASFIRMOQXHYGG-LMDPOFIKSA-N 2 1 317.477 2.650 20 0 DFADMP CCOC1CC(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)C1 ZINC000285466258 427240728 /nfs/dbraw/zinc/24/07/28/427240728.db2.gz ZASFIRMOQXHYGG-LMDPOFIKSA-N 2 1 317.477 2.650 20 0 DFADMP CCOC1CC(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)C1 ZINC000285466258 427240737 /nfs/dbraw/zinc/24/07/37/427240737.db2.gz ZASFIRMOQXHYGG-LMDPOFIKSA-N 2 1 317.477 2.650 20 0 DFADMP CCOC1CC(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)C1 ZINC000285466258 427240744 /nfs/dbraw/zinc/24/07/44/427240744.db2.gz ZASFIRMOQXHYGG-LMDPOFIKSA-N 2 1 317.477 2.650 20 0 DFADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cn2cc[nH+]c12 ZINC000296843714 427246040 /nfs/dbraw/zinc/24/60/40/427246040.db2.gz KBCUBOBQYOVKII-UKRRQHHQSA-N 2 1 315.421 2.589 20 0 DFADMP Cc1cc(NC(=O)N(C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)cn2cc[nH+]c12 ZINC000296843714 427246046 /nfs/dbraw/zinc/24/60/46/427246046.db2.gz KBCUBOBQYOVKII-UKRRQHHQSA-N 2 1 315.421 2.589 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H](O)c1ccc(F)cc1)Cc1ccco1 ZINC000285494447 427249636 /nfs/dbraw/zinc/24/96/36/427249636.db2.gz CGYSYRMNGXEPRR-GOSISDBHSA-N 2 1 320.408 2.906 20 0 DFADMP C[C@H](C[NH2+][C@H](C)c1ccc(Br)nc1)C[NH+](C)C ZINC000293221327 427252490 /nfs/dbraw/zinc/25/24/90/427252490.db2.gz AMYIJHRPVCNYLI-GHMZBOCLSA-N 2 1 300.244 2.692 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000277599602 427254716 /nfs/dbraw/zinc/25/47/16/427254716.db2.gz ONDKGUFBSWBPPO-UKRRQHHQSA-N 2 1 312.417 2.755 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000293265592 427267113 /nfs/dbraw/zinc/26/71/13/427267113.db2.gz GHXJPUTWEJOHJT-AWEZNQCLSA-N 2 1 315.461 2.666 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(CO)(c2ccccc2)CC1 ZINC000293286185 427273549 /nfs/dbraw/zinc/27/35/49/427273549.db2.gz JYUPRALJRSFUAA-UHFFFAOYSA-N 2 1 313.445 2.608 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)c1ccc(OC)c(OC)c1C ZINC000285676683 427307869 /nfs/dbraw/zinc/30/78/69/427307869.db2.gz NQYUUWFCWQFHBJ-HNNXBMFYSA-N 2 1 324.465 2.631 20 0 DFADMP Cc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c(-c2ccnn2C)c1 ZINC000338434744 427318528 /nfs/dbraw/zinc/31/85/28/427318528.db2.gz FOYKUKDTWWWWGU-INIZCTEOSA-N 2 1 324.472 2.969 20 0 DFADMP CCN(Cc1nccn1CC)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000183753811 427334858 /nfs/dbraw/zinc/33/48/58/427334858.db2.gz JOBWTXYASNGWOG-SFHVURJKSA-N 2 1 312.461 2.999 20 0 DFADMP Cc1cc(NC(=O)N(C)CCC[NH+]2CCCC2)cn2cc[nH+]c12 ZINC000297120937 427337122 /nfs/dbraw/zinc/33/71/22/427337122.db2.gz XXIMMEQXQQZMBM-UHFFFAOYSA-N 2 1 315.421 2.592 20 0 DFADMP Cc1ccc([C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000261934782 427346302 /nfs/dbraw/zinc/34/63/02/427346302.db2.gz MCRFBRDYSDLIGZ-QXCFHYIPSA-N 2 1 302.462 2.845 20 0 DFADMP CC[C@](C)(O)C[N@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285612301 427289751 /nfs/dbraw/zinc/28/97/51/427289751.db2.gz QECQLIYQQNESFL-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@H+](Cc3ccccc3)C2)C1 ZINC000285612301 427289762 /nfs/dbraw/zinc/28/97/62/427289762.db2.gz QECQLIYQQNESFL-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP CC[C@](C)(O)C[NH+]1CC[C@@]2(CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000285612301 427289767 /nfs/dbraw/zinc/28/97/67/427289767.db2.gz QECQLIYQQNESFL-RBUKOAKNSA-N 2 1 302.462 2.745 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@@H+]3CCCC[C@H]13)CC2 ZINC000269861960 427294952 /nfs/dbraw/zinc/29/49/52/427294952.db2.gz JKCYFOSVISGCGB-BHIYHBOVSA-N 2 1 300.446 2.769 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+][C@@H]1CC[N@H+]3CCCC[C@H]13)CC2 ZINC000269861960 427294960 /nfs/dbraw/zinc/29/49/60/427294960.db2.gz JKCYFOSVISGCGB-BHIYHBOVSA-N 2 1 300.446 2.769 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@@H](O)CN(C)C1CC1 ZINC000296989982 427297196 /nfs/dbraw/zinc/29/71/96/427297196.db2.gz ZLYWHSVUPFJOBX-LTDCPUDJSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000296989982 427297201 /nfs/dbraw/zinc/29/72/01/427297201.db2.gz ZLYWHSVUPFJOBX-LTDCPUDJSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000296989982 427297204 /nfs/dbraw/zinc/29/72/04/427297204.db2.gz ZLYWHSVUPFJOBX-LTDCPUDJSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000296989982 427297211 /nfs/dbraw/zinc/29/72/11/427297211.db2.gz ZLYWHSVUPFJOBX-LTDCPUDJSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@@H]1C[C@H](c2ccccc2)[C@@H](C)[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000296989982 427297214 /nfs/dbraw/zinc/29/72/14/427297214.db2.gz ZLYWHSVUPFJOBX-LTDCPUDJSA-N 2 1 302.462 2.708 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCc1nc2ccccc2n1C ZINC000271004724 427371083 /nfs/dbraw/zinc/37/10/83/427371083.db2.gz KZJCJVDCOGDHOC-UHFFFAOYSA-N 2 1 311.433 2.643 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCc1nc2ccccc2n1C ZINC000271004724 427371092 /nfs/dbraw/zinc/37/10/92/427371092.db2.gz KZJCJVDCOGDHOC-UHFFFAOYSA-N 2 1 311.433 2.643 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CO2 ZINC000297645970 427418682 /nfs/dbraw/zinc/41/86/82/427418682.db2.gz JYUDWCDMFOHIJF-INIZCTEOSA-N 2 1 316.445 2.605 20 0 DFADMP CC(C)=CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000285960782 427386967 /nfs/dbraw/zinc/38/69/67/427386967.db2.gz NBQJWBGYPUOBRE-HXUWFJFHSA-N 2 1 313.489 2.845 20 0 DFADMP CC(C)=CC[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000285960782 427386974 /nfs/dbraw/zinc/38/69/74/427386974.db2.gz NBQJWBGYPUOBRE-HXUWFJFHSA-N 2 1 313.489 2.845 20 0 DFADMP CC(=O)Nc1ccccc1CN1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293631209 427387130 /nfs/dbraw/zinc/38/71/30/427387130.db2.gz LKWOIOVHBFXSGW-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000293631209 427387138 /nfs/dbraw/zinc/38/71/38/427387138.db2.gz LKWOIOVHBFXSGW-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccccc1C[NH+]1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000293631209 427387142 /nfs/dbraw/zinc/38/71/42/427387142.db2.gz LKWOIOVHBFXSGW-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293631209 427387148 /nfs/dbraw/zinc/38/71/48/427387148.db2.gz LKWOIOVHBFXSGW-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@]2(C1)CCC[NH+](C)C2 ZINC000293631209 427387152 /nfs/dbraw/zinc/38/71/52/427387152.db2.gz LKWOIOVHBFXSGW-GOSISDBHSA-N 2 1 301.434 2.563 20 0 DFADMP CCn1nc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c2ccccc21 ZINC000293633275 427388704 /nfs/dbraw/zinc/38/87/04/427388704.db2.gz LRAKZELESKFDFQ-IBGZPJMESA-N 2 1 312.461 2.974 20 0 DFADMP C[C@H](Cc1ccc(O)cc1)[NH2+]CC1([NH+]2CCCC2)CCOCC1 ZINC000293655571 427397128 /nfs/dbraw/zinc/39/71/28/427397128.db2.gz PBTNKZBIJGSVQS-MRXNPFEDSA-N 2 1 318.461 2.558 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000263055789 427404286 /nfs/dbraw/zinc/40/42/86/427404286.db2.gz UYYVFJWOROMVFR-RKVPGOIHSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@H]1C[N@@H+](CCc2cncn2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000297615502 427416450 /nfs/dbraw/zinc/41/64/50/427416450.db2.gz GVNCQXAGRNYYRM-GUYCJALGSA-N 2 1 303.381 2.564 20 0 DFADMP C[C@H]1CN(CCc2cncn2C)C[C@@H](c2ccc(F)cc2)O1 ZINC000297615502 427416459 /nfs/dbraw/zinc/41/64/59/427416459.db2.gz GVNCQXAGRNYYRM-GUYCJALGSA-N 2 1 303.381 2.564 20 0 DFADMP C[C@@H](O)C[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000286073569 427417791 /nfs/dbraw/zinc/41/77/91/427417791.db2.gz LERCVDCGDRRSTO-QXCFHYIPSA-N 2 1 302.462 2.648 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000263292933 427455352 /nfs/dbraw/zinc/45/53/52/427455352.db2.gz XDVJPBXDDARUKI-RCCFBDPRSA-N 2 1 323.525 2.783 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+](C)C)cc1NC(C)=O ZINC000293865567 427467821 /nfs/dbraw/zinc/46/78/21/427467821.db2.gz XZXDAODPSHNCNU-CHWSQXEVSA-N 2 1 307.438 2.502 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)[C@@H]1CCc2ccccc2NC1=O ZINC000192043444 427468371 /nfs/dbraw/zinc/46/83/71/427468371.db2.gz BHEAKQJYGKUUCR-FUHWJXTLSA-N 2 1 315.461 2.746 20 0 DFADMP CCn1nccc1C1CC[NH+](CCCn2cc[nH+]c2C)CC1 ZINC000278874984 427483190 /nfs/dbraw/zinc/48/31/90/427483190.db2.gz MLKYBGGPZRDWOO-UHFFFAOYSA-N 2 1 301.438 2.678 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2CCOC2)C3)cc1 ZINC000278157225 427421649 /nfs/dbraw/zinc/42/16/49/427421649.db2.gz BBSYUOVQJXLIJX-CADBVGFASA-N 2 1 300.446 2.808 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)C1CC1 ZINC000293754012 427427006 /nfs/dbraw/zinc/42/70/06/427427006.db2.gz QPFYLSAVAXFFFF-UAFMIMERSA-N 2 1 314.473 2.912 20 0 DFADMP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cn2cccnc2n1 ZINC000297709800 427433623 /nfs/dbraw/zinc/43/36/23/427433623.db2.gz RBMQWKRIGZMFMY-UHFFFAOYSA-N 2 1 323.444 2.859 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]Cc1cn2cccnc2n1 ZINC000297709800 427433627 /nfs/dbraw/zinc/43/36/27/427433627.db2.gz RBMQWKRIGZMFMY-UHFFFAOYSA-N 2 1 323.444 2.859 20 0 DFADMP Cc1cc(NC(=O)N2CC[N@H+](C3CCC3)C[C@H](C)C2)ccn1 ZINC000297718499 427435373 /nfs/dbraw/zinc/43/53/73/427435373.db2.gz JNMNVYOFTZPYKA-ZDUSSCGKSA-N 2 1 302.422 2.728 20 0 DFADMP C[C@@H]1[C@@H](C)CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000184586957 427497056 /nfs/dbraw/zinc/49/70/56/427497056.db2.gz DMEQJDDXWOIUEM-JZXOWHBKSA-N 2 1 317.477 2.526 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000298036753 427508241 /nfs/dbraw/zinc/50/82/41/427508241.db2.gz GVAKSYZSRUWWTA-QGZVFWFLSA-N 2 1 319.493 2.685 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1ccccc1N1CCO[C@H](C)C1 ZINC000298036753 427508248 /nfs/dbraw/zinc/50/82/48/427508248.db2.gz GVAKSYZSRUWWTA-QGZVFWFLSA-N 2 1 319.493 2.685 20 0 DFADMP Nc1cc(CN2CCC[N@@H+](CC3CCCCC3)CC2)ccn1 ZINC000298043529 427508306 /nfs/dbraw/zinc/50/83/06/427508306.db2.gz HAWPMRFBXBDPNS-UHFFFAOYSA-N 2 1 302.466 2.752 20 0 DFADMP Cc1cc(N2C[C@@H]([NH+]3CCOCC3)C[C@H]2C)c2ccccc2[nH+]1 ZINC000286391623 427513995 /nfs/dbraw/zinc/51/39/95/427513995.db2.gz PANHMFCJEWDSKU-CVEARBPZSA-N 2 1 311.429 2.843 20 0 DFADMP COc1ccc(C(=O)CCN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000286411948 427518314 /nfs/dbraw/zinc/51/83/14/427518314.db2.gz LXPCAHNFPQKHMA-AEFFLSMTSA-N 2 1 316.445 2.684 20 0 DFADMP COc1ccc(C(=O)CC[N@@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000286411948 427518323 /nfs/dbraw/zinc/51/83/23/427518323.db2.gz LXPCAHNFPQKHMA-AEFFLSMTSA-N 2 1 316.445 2.684 20 0 DFADMP COc1ccc(C(=O)CC[N@H+]2CC[C@H]3[C@H](CCCN3C)C2)cc1 ZINC000286411948 427518333 /nfs/dbraw/zinc/51/83/33/427518333.db2.gz LXPCAHNFPQKHMA-AEFFLSMTSA-N 2 1 316.445 2.684 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000338844414 427518920 /nfs/dbraw/zinc/51/89/20/427518920.db2.gz NNCBUBMAIMMDJB-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](CO)[NH2+][C@@H]1CCCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000278980521 427521661 /nfs/dbraw/zinc/52/16/61/427521661.db2.gz PJPBJRBHFDTRAX-XGXHKWSGSA-N 2 1 302.462 2.648 20 0 DFADMP C[NH+](C)CCC1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271435821 427534867 /nfs/dbraw/zinc/53/48/67/427534867.db2.gz QRCTZUHSVKCVEJ-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](C)CCC1CCN([C@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271435821 427534872 /nfs/dbraw/zinc/53/48/72/427534872.db2.gz QRCTZUHSVKCVEJ-FQEVSTJZSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCO2 ZINC000279033733 427536770 /nfs/dbraw/zinc/53/67/70/427536770.db2.gz WLXLBZBYLKHDEZ-KBPBESRZSA-N 2 1 313.401 2.568 20 0 DFADMP COCCc1cc[nH+]c(NC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298216926 427537705 /nfs/dbraw/zinc/53/77/05/427537705.db2.gz ZTYWVVCEDCYSDE-UHFFFAOYSA-N 2 1 312.417 2.746 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+]CCCn2cc[nH+]c2C)s1 ZINC000271439058 427538272 /nfs/dbraw/zinc/53/82/72/427538272.db2.gz XDGXFGOCTRNPPO-GFCCVEGCSA-N 2 1 322.478 2.886 20 0 DFADMP COc1cccc2c1CC[C@@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)C2 ZINC000192439037 427538835 /nfs/dbraw/zinc/53/88/35/427538835.db2.gz CNCVBOKDHRXXJL-GDBMZVCRSA-N 2 1 300.446 2.626 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CCC(C(=O)OC)CC2)c1 ZINC000192441872 427539657 /nfs/dbraw/zinc/53/96/57/427539657.db2.gz UJRCNPDPMKSWOL-UHFFFAOYSA-N 2 1 318.461 2.960 20 0 DFADMP COC(=O)C1CCC([NH2+]CCC[N@@H+](C)Cc2ccccc2)CC1 ZINC000192438182 427540759 /nfs/dbraw/zinc/54/07/59/427540759.db2.gz UKBVOQSFPIHKAI-UHFFFAOYSA-N 2 1 318.461 2.830 20 0 DFADMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]cc3C)CC2)cs1 ZINC000192570614 427564767 /nfs/dbraw/zinc/56/47/67/427564767.db2.gz MWFOEAUXZVUJPC-UHFFFAOYSA-N 2 1 302.447 2.867 20 0 DFADMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]cc3C)CC2)cs1 ZINC000192570614 427564770 /nfs/dbraw/zinc/56/47/70/427564770.db2.gz MWFOEAUXZVUJPC-UHFFFAOYSA-N 2 1 302.447 2.867 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)C1 ZINC000287308300 427575351 /nfs/dbraw/zinc/57/53/51/427575351.db2.gz CVEKPHOUQDBTRH-HZPDHXFCSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc([S@@](C)=O)cc1 ZINC000271564874 427579498 /nfs/dbraw/zinc/57/94/98/427579498.db2.gz UWHSYZQLWIHRMI-OBGBMVETSA-N 2 1 308.491 2.803 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCCOC4)[C@@H]3C2)cc1 ZINC000287335759 427580785 /nfs/dbraw/zinc/58/07/85/427580785.db2.gz MQVDOLPGWFWASM-INDMIFKZSA-N 2 1 300.446 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1cccc(Cl)c1 ZINC000185309117 427630484 /nfs/dbraw/zinc/63/04/84/427630484.db2.gz NJHNSADWEJUFBN-OQUILHJVSA-N 2 1 310.869 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566188 427641468 /nfs/dbraw/zinc/64/14/68/427641468.db2.gz BLMBBTRRWCEOAC-WBAXXEDZSA-N 2 1 324.896 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566188 427641477 /nfs/dbraw/zinc/64/14/77/427641477.db2.gz BLMBBTRRWCEOAC-WBAXXEDZSA-N 2 1 324.896 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)[C@@H](C)C1 ZINC000287566188 427641485 /nfs/dbraw/zinc/64/14/85/427641485.db2.gz BLMBBTRRWCEOAC-WBAXXEDZSA-N 2 1 324.896 2.906 20 0 DFADMP CCOc1cc(C[NH2+]C2CC[NH+](C3CCC3)CC2)ccc1O ZINC000298538173 427641818 /nfs/dbraw/zinc/64/18/18/427641818.db2.gz SSDUGGOCZFZNMB-UHFFFAOYSA-N 2 1 304.434 2.897 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000287586822 427646807 /nfs/dbraw/zinc/64/68/07/427646807.db2.gz RJWLQEINJCKPNX-RDJZCZTQSA-N 2 1 306.450 2.674 20 0 DFADMP COc1ccccc1C1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)CC1 ZINC000339068590 427660018 /nfs/dbraw/zinc/66/00/18/427660018.db2.gz RMIKZEVFRQBBKL-HZPDHXFCSA-N 2 1 300.446 2.943 20 0 DFADMP C[NH+](C/C=C\C[N@@H+](C)CC[C@H]1CCCO1)CC[C@@H]1CCCO1 ZINC000342583606 272027520 /nfs/dbraw/zinc/02/75/20/272027520.db2.gz ICZKVKTWPIGBTB-FEFURNDJSA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+](C/C=C\C[N@H+](C)CC[C@@H]1CCCO1)CC[C@H]1CCCO1 ZINC000342583606 272027521 /nfs/dbraw/zinc/02/75/21/272027521.db2.gz ICZKVKTWPIGBTB-FEFURNDJSA-N 2 1 310.482 2.544 20 0 DFADMP C[NH+](C/C=C\C[N@@H+](C)CC[C@@H]1CCCO1)CC[C@H]1CCCO1 ZINC000342583606 272027523 /nfs/dbraw/zinc/02/75/23/272027523.db2.gz ICZKVKTWPIGBTB-FEFURNDJSA-N 2 1 310.482 2.544 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H]1C[C@H](Oc2ccccc2)C1(C)C ZINC000342624295 272032496 /nfs/dbraw/zinc/03/24/96/272032496.db2.gz IGVISWCMYWXMNW-MSOLQXFVSA-N 2 1 320.477 2.790 20 0 DFADMP Cn1cc(-c2cccc(C[NH2+]C3CC[NH+](C4CC4)CC3)c2)cn1 ZINC000342721488 272047198 /nfs/dbraw/zinc/04/71/98/272047198.db2.gz CCUDLNNJVREYGX-UHFFFAOYSA-N 2 1 310.445 2.804 20 0 DFADMP Cc1cccc(C)c1C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000342945292 272070069 /nfs/dbraw/zinc/07/00/69/272070069.db2.gz WZBMAGCGSQZKBR-LJQANCHMSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(OCCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)cc1 ZINC000343255247 272105806 /nfs/dbraw/zinc/10/58/06/272105806.db2.gz XTBWKMIQOBMTRW-OTWHNJEPSA-N 2 1 318.461 2.511 20 0 DFADMP CC[N@@H+]1CCO[C@H](CNc2cc[nH+]c(C)c2)[C@@H]1c1ccccc1 ZINC000343324957 272118855 /nfs/dbraw/zinc/11/88/55/272118855.db2.gz ZCPNIRJPXKDEJD-MOPGFXCFSA-N 2 1 311.429 2.686 20 0 DFADMP CC[N@H+]1CCO[C@H](CNc2cc[nH+]c(C)c2)[C@@H]1c1ccccc1 ZINC000343324957 272118856 /nfs/dbraw/zinc/11/88/56/272118856.db2.gz ZCPNIRJPXKDEJD-MOPGFXCFSA-N 2 1 311.429 2.686 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000287690508 427672294 /nfs/dbraw/zinc/67/22/94/427672294.db2.gz WROCHZLDQYJYMA-GPMSIDNRSA-N 2 1 320.477 2.920 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1)[NH+](CC)CC ZINC000343532283 272166333 /nfs/dbraw/zinc/16/63/33/272166333.db2.gz VRWJIHRRXQOWFN-FUHWJXTLSA-N 2 1 319.493 2.744 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569503 272173382 /nfs/dbraw/zinc/17/33/82/272173382.db2.gz RXIZSXDZZVTMBW-WOJBJXKFSA-N 2 1 310.441 2.627 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](Cc2ccccc2)c2ccccc2)C1 ZINC000343569503 272173385 /nfs/dbraw/zinc/17/33/85/272173385.db2.gz RXIZSXDZZVTMBW-WOJBJXKFSA-N 2 1 310.441 2.627 20 0 DFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000343580103 272175366 /nfs/dbraw/zinc/17/53/66/272175366.db2.gz PKRALUDIVROXFI-INIZCTEOSA-N 2 1 310.482 2.772 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](CCCC(=O)OC(C)(C)C)C1 ZINC000343580103 272175368 /nfs/dbraw/zinc/17/53/68/272175368.db2.gz PKRALUDIVROXFI-INIZCTEOSA-N 2 1 310.482 2.772 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000343580103 272175370 /nfs/dbraw/zinc/17/53/70/272175370.db2.gz PKRALUDIVROXFI-INIZCTEOSA-N 2 1 310.482 2.772 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000343580103 272175371 /nfs/dbraw/zinc/17/53/71/272175371.db2.gz PKRALUDIVROXFI-INIZCTEOSA-N 2 1 310.482 2.772 20 0 DFADMP COC(=O)[C@@H]1CCCC[C@]1(C)[NH2+]CCCCn1cc[nH+]c1C ZINC000343625662 272187257 /nfs/dbraw/zinc/18/72/57/272187257.db2.gz KVSQGUDBSPEBEK-RDJZCZTQSA-N 2 1 307.438 2.683 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000343720468 272207758 /nfs/dbraw/zinc/20/77/58/272207758.db2.gz VFRVHNIEIONIPF-KURKYZTESA-N 2 1 307.526 2.913 20 0 DFADMP CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000343803763 272222583 /nfs/dbraw/zinc/22/25/83/272222583.db2.gz NGOMOQSOIVSSDD-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)CC(=O)Nc1ccccc1 ZINC000298688122 427679841 /nfs/dbraw/zinc/67/98/41/427679841.db2.gz IJHYMIBRAREVLW-CQSZACIVSA-N 2 1 300.406 2.589 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]Cc2ccncc2OCC[NH+](C)C)o1 ZINC000343941413 272240738 /nfs/dbraw/zinc/24/07/38/272240738.db2.gz SZVHTZHWQUJPQC-CQSZACIVSA-N 2 1 303.406 2.774 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000343974003 272245431 /nfs/dbraw/zinc/24/54/31/272245431.db2.gz IDBDLSZYBLVYDA-FXAWDEMLSA-N 2 1 310.441 2.974 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000343974003 272245434 /nfs/dbraw/zinc/24/54/34/272245434.db2.gz IDBDLSZYBLVYDA-FXAWDEMLSA-N 2 1 310.441 2.974 20 0 DFADMP CCO[C@H]1C[C@@H]([NH2+]CCC[N@@H+](C)CCOC)C12CCCCC2 ZINC000344029251 272251886 /nfs/dbraw/zinc/25/18/86/272251886.db2.gz BQGQAEASCSICDR-SJORKVTESA-N 2 1 312.498 2.672 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1CCCC(F)(F)C1)CC[NH+](C)C ZINC000344064381 272254947 /nfs/dbraw/zinc/25/49/47/272254947.db2.gz NSKQFKPEOZOYBZ-OAHLLOKOSA-N 2 1 305.457 2.627 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H](C)Cn1cc[nH+]c1C ZINC000344119499 272267899 /nfs/dbraw/zinc/26/78/99/272267899.db2.gz PDVMTMPZIWHRSK-AWEZNQCLSA-N 3 1 324.432 2.507 20 0 DFADMP CCC1(CC)[C@@H]([NH2+]CC2([NH+]3CCCC3)CCOCC2)C[C@@H]1OC ZINC000344172886 272280048 /nfs/dbraw/zinc/28/00/48/272280048.db2.gz PBQHFOFETPJEQU-IRXDYDNUSA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+][C@@H](C)[C@H]3CCCOC3)sc2C1 ZINC000344350324 272318720 /nfs/dbraw/zinc/31/87/20/272318720.db2.gz ICTBADOFGKQQRS-KBPBESRZSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+][C@@H](C)[C@H]3CCCOC3)sc2C1 ZINC000344350324 272318722 /nfs/dbraw/zinc/31/87/22/272318722.db2.gz ICTBADOFGKQQRS-KBPBESRZSA-N 2 1 323.506 2.814 20 0 DFADMP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)OC)c2ccccc2)CC1 ZINC000344589916 272342740 /nfs/dbraw/zinc/34/27/40/272342740.db2.gz VPISTWAJLBKSOJ-GOSISDBHSA-N 2 1 318.461 2.955 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000344614947 272348539 /nfs/dbraw/zinc/34/85/39/272348539.db2.gz LOOIRFAIZXNMNW-ZACQAIPSSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000344614947 272348541 /nfs/dbraw/zinc/34/85/41/272348541.db2.gz LOOIRFAIZXNMNW-ZACQAIPSSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1CC(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000344614947 272348542 /nfs/dbraw/zinc/34/85/42/272348542.db2.gz LOOIRFAIZXNMNW-ZACQAIPSSA-N 2 1 309.498 2.630 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([C@H](C)[NH3+])C2)cc1)C(C)C ZINC000272241674 427682329 /nfs/dbraw/zinc/68/23/29/427682329.db2.gz KXTLPWYRGYQYPW-YJBOKZPZSA-N 2 1 317.477 2.726 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H]2CC[NH+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832622 272375503 /nfs/dbraw/zinc/37/55/03/272375503.db2.gz PBULRGKNMKFJFO-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832622 272375505 /nfs/dbraw/zinc/37/55/05/272375505.db2.gz PBULRGKNMKFJFO-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C1 ZINC000344832622 272375508 /nfs/dbraw/zinc/37/55/08/272375508.db2.gz PBULRGKNMKFJFO-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H](CCCC(=O)OC)C2)C1 ZINC000339188439 427723234 /nfs/dbraw/zinc/72/32/34/427723234.db2.gz DFYMTFHMJHLKMM-GVDBMIGSSA-N 2 1 310.482 2.820 20 0 DFADMP CC(C)c1ccccc1NC(=O)[C@H](C)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000193657302 427706394 /nfs/dbraw/zinc/70/63/94/427706394.db2.gz NTTCAYBIEWPMHW-HRCADAONSA-N 2 1 315.461 2.630 20 0 DFADMP c1ccc(C[NH+]2C[C@H]3C[N@@H+](C[C@@H]4CCSC4)C[C@H]3C2)cc1 ZINC000279587552 427707954 /nfs/dbraw/zinc/70/79/54/427707954.db2.gz CHAJVZWLOPYBPY-OKZBNKHCSA-N 2 1 302.487 2.803 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[NH+](C[C@@H]4CCSC4)C[C@H]3C2)cc1 ZINC000279587552 427707961 /nfs/dbraw/zinc/70/79/61/427707961.db2.gz CHAJVZWLOPYBPY-OKZBNKHCSA-N 2 1 302.487 2.803 20 0 DFADMP CCC[N@H+]1CCCN(c2cc(N3CCC[C@@H](C)C3)ncn2)CC1 ZINC000301351338 427790900 /nfs/dbraw/zinc/79/09/00/427790900.db2.gz MUVLOBVHKJOFKZ-MRXNPFEDSA-N 2 1 317.481 2.635 20 0 DFADMP Cc1cnn(CC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)c1 ZINC000336863458 427766065 /nfs/dbraw/zinc/76/60/65/427766065.db2.gz IHOWHLFCWYLZPY-QZTJIDSGSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c1 ZINC000336863458 427766066 /nfs/dbraw/zinc/76/60/66/427766066.db2.gz IHOWHLFCWYLZPY-QZTJIDSGSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000336863458 427766068 /nfs/dbraw/zinc/76/60/68/427766068.db2.gz IHOWHLFCWYLZPY-QZTJIDSGSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1cnn(CC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)c1 ZINC000336863458 427766070 /nfs/dbraw/zinc/76/60/70/427766070.db2.gz IHOWHLFCWYLZPY-QZTJIDSGSA-N 2 1 304.482 2.778 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000336872927 427769440 /nfs/dbraw/zinc/76/94/40/427769440.db2.gz RMWJJOVSZWBBIT-QZTJIDSGSA-N 2 1 317.408 2.919 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](O)C[C@@H]1c1ccc(F)cc1 ZINC000336872927 427769442 /nfs/dbraw/zinc/76/94/42/427769442.db2.gz RMWJJOVSZWBBIT-QZTJIDSGSA-N 2 1 317.408 2.919 20 0 DFADMP COC(=O)c1oc([C@@H](C)N2CC[C@]3(C2)CCC[N@@H+](C)C3)cc1C ZINC000339433061 427773388 /nfs/dbraw/zinc/77/33/88/427773388.db2.gz IYDWVELPQLQBJO-RDTXWAMCSA-N 2 1 320.433 2.853 20 0 DFADMP COc1ccc(C[N@@H+](C[C@H]2CCC[NH2+]C2)[C@@H](CO)C(C)C)cc1 ZINC000339431721 427773681 /nfs/dbraw/zinc/77/36/81/427773681.db2.gz UUFWGADDRNARKK-HKUYNNGSSA-N 2 1 320.477 2.514 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000194026004 427727908 /nfs/dbraw/zinc/72/79/08/427727908.db2.gz QHLYWRRRKYQYJN-RKTXRCNFSA-N 2 1 303.450 2.765 20 0 DFADMP C[N@H+]1CCC[C@H]1CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000186051743 427743938 /nfs/dbraw/zinc/74/39/38/427743938.db2.gz JILSJROMXBBORN-RBUKOAKNSA-N 2 1 302.462 2.804 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC000339270982 427746653 /nfs/dbraw/zinc/74/66/53/427746653.db2.gz KLSKGKGTCWJALI-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](O)CCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000336655991 427746834 /nfs/dbraw/zinc/74/68/34/427746834.db2.gz JULWYXTVBCCOPO-YTQUADARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](O)CCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336655991 427746835 /nfs/dbraw/zinc/74/68/35/427746835.db2.gz JULWYXTVBCCOPO-YTQUADARSA-N 2 1 302.462 2.601 20 0 DFADMP C[C@H](O)CCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000336655991 427746840 /nfs/dbraw/zinc/74/68/40/427746840.db2.gz JULWYXTVBCCOPO-YTQUADARSA-N 2 1 302.462 2.601 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[N@H+](CC)Cc1noc(CN)n1 ZINC000337055689 427793130 /nfs/dbraw/zinc/79/31/30/427793130.db2.gz URMHHNIIJTUOON-HNNXBMFYSA-N 2 1 302.422 2.680 20 0 DFADMP CC[C@@H](Cc1ccc(C)cc1)[N@@H+](CC)Cc1noc(CN)n1 ZINC000337055689 427793133 /nfs/dbraw/zinc/79/31/33/427793133.db2.gz URMHHNIIJTUOON-HNNXBMFYSA-N 2 1 302.422 2.680 20 0 DFADMP CC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@@H+]1C[C@@H](C)O ZINC000301406590 427794474 /nfs/dbraw/zinc/79/44/74/427794474.db2.gz MFAMZHPOMIIOAW-HIFRSBDPSA-N 2 1 317.408 2.655 20 0 DFADMP CC[C@H]1CN(c2cc[nH+]c3cc(F)ccc32)CC[N@H+]1C[C@@H](C)O ZINC000301406590 427794476 /nfs/dbraw/zinc/79/44/76/427794476.db2.gz MFAMZHPOMIIOAW-HIFRSBDPSA-N 2 1 317.408 2.655 20 0 DFADMP Fc1ccc2c(c1)[nH+]ccc2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000301540714 427803903 /nfs/dbraw/zinc/80/39/03/427803903.db2.gz JVKKSLSVQWKAIG-CQSZACIVSA-N 2 1 315.392 2.532 20 0 DFADMP Cc1noc(C)c1CC[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000339657271 427808511 /nfs/dbraw/zinc/80/85/11/427808511.db2.gz DIPYBOFJMTWNGY-MAUKXSAKSA-N 2 1 303.450 2.783 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000339657271 427808513 /nfs/dbraw/zinc/80/85/13/427808513.db2.gz DIPYBOFJMTWNGY-MAUKXSAKSA-N 2 1 303.450 2.783 20 0 DFADMP Cc1noc(C)c1CC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000339657271 427808515 /nfs/dbraw/zinc/80/85/15/427808515.db2.gz DIPYBOFJMTWNGY-MAUKXSAKSA-N 2 1 303.450 2.783 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000339682092 427811049 /nfs/dbraw/zinc/81/10/49/427811049.db2.gz OKWHOVGNXRPDRH-OFQRWUPVSA-N 2 1 324.490 2.614 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000339682092 427811052 /nfs/dbraw/zinc/81/10/52/427811052.db2.gz OKWHOVGNXRPDRH-OFQRWUPVSA-N 2 1 324.490 2.614 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnn2C(C)C)[C@@H](C)C1 ZINC000337206602 427815575 /nfs/dbraw/zinc/81/55/75/427815575.db2.gz MWGMLPJLUMUYKR-FUHWJXTLSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnn2C(C)C)[C@@H](C)C1 ZINC000337206602 427815578 /nfs/dbraw/zinc/81/55/78/427815578.db2.gz MWGMLPJLUMUYKR-FUHWJXTLSA-N 2 1 322.497 2.691 20 0 DFADMP COCC[NH+]1[C@@H](C)CN(c2cc[nH+]c3cc(F)ccc32)C[C@@H]1C ZINC000301778653 427823583 /nfs/dbraw/zinc/82/35/83/427823583.db2.gz QENIEUSXRTVSTA-KBPBESRZSA-N 2 1 317.408 2.919 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)[C@H](c1ccccc1)[NH+](CC)CC ZINC000355622044 427834134 /nfs/dbraw/zinc/83/41/34/427834134.db2.gz ACZYJJPAONZROD-WMZOPIPTSA-N 2 1 319.493 2.916 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000340378786 427834964 /nfs/dbraw/zinc/83/49/64/427834964.db2.gz UNURJSYKFAJLRU-XWSJACJDSA-N 2 1 318.461 2.606 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1)[C@@H]1CCCO1 ZINC000340378786 427834968 /nfs/dbraw/zinc/83/49/68/427834968.db2.gz UNURJSYKFAJLRU-XWSJACJDSA-N 2 1 318.461 2.606 20 0 DFADMP CCc1cc(OC)ccc1C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000337328414 427846629 /nfs/dbraw/zinc/84/66/29/427846629.db2.gz DYLWFVYNPHFMOE-GOSISDBHSA-N 2 1 320.477 2.584 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@]1(C)CCCO1 ZINC000340464456 427854713 /nfs/dbraw/zinc/85/47/13/427854713.db2.gz PJKHLAIUCBBIMU-APWZRJJASA-N 2 1 318.461 2.566 20 0 DFADMP CC(C)C[C@@H](CNC(=O)[C@H](C)[N@@H+](C)Cc1ccccc1)[NH+](C)C ZINC000345680157 427856830 /nfs/dbraw/zinc/85/68/30/427856830.db2.gz XYTZPUJJNPSQSG-WMZOPIPTSA-N 2 1 319.493 2.599 20 0 DFADMP COc1ccc(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)cc1OCCC(C)C ZINC000359477094 427867909 /nfs/dbraw/zinc/86/79/09/427867909.db2.gz VHNKLRNUVPKLFL-IAGOWNOFSA-N 2 1 318.461 2.771 20 0 DFADMP C/C(=C\c1ccccc1)C[N@@H+](C)CCCN1CC[NH+](C)CC1 ZINC000337476420 427925368 /nfs/dbraw/zinc/92/53/68/427925368.db2.gz SIFXQJIJXQTDRT-FBMGVBCBSA-N 2 1 301.478 2.659 20 0 DFADMP COc1cc(C)c(C[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000337381381 427876438 /nfs/dbraw/zinc/87/64/38/427876438.db2.gz JJAUFTVHQRSBID-AWEZNQCLSA-N 2 1 306.450 2.627 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCC23CCC3)c1 ZINC000337405531 427890335 /nfs/dbraw/zinc/89/03/35/427890335.db2.gz SARAGWIZOQTCMN-GOSISDBHSA-N 2 1 300.446 2.941 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)Cc2cc(OC)c(OC)cc2C)C1 ZINC000337409599 427891284 /nfs/dbraw/zinc/89/12/84/427891284.db2.gz WHJBSJKCTIYADP-HOTGVXAUSA-N 2 1 320.477 2.875 20 0 DFADMP C[NH+](C)[C@H](CNc1cc[nH+]cc1Br)c1ccccc1 ZINC000339974355 427893023 /nfs/dbraw/zinc/89/30/23/427893023.db2.gz GWAOJFIARFECAD-OAHLLOKOSA-N 2 1 320.234 2.981 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccccc1N1CCO[C@H](C)C1 ZINC000339984472 427895492 /nfs/dbraw/zinc/89/54/92/427895492.db2.gz YLXTYUGLWKITEF-QGZVFWFLSA-N 2 1 319.493 2.733 20 0 DFADMP COc1ccccc1OCC[N@@H+](CCC[NH3+])Cc1ccccc1 ZINC000303991160 427909810 /nfs/dbraw/zinc/90/98/10/427909810.db2.gz WNWYPYVXIZMNOA-UHFFFAOYSA-N 2 1 314.429 2.925 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)C[C@H]21 ZINC000346824070 272690570 /nfs/dbraw/zinc/69/05/70/272690570.db2.gz KXGYJBHHAUJSPJ-HDMKZQKVSA-N 2 1 317.452 2.985 20 0 DFADMP CC(C)[N@H+](C)CCN[C@@H]1CCC[NH+](Cc2ccccc2)[C@H]1C ZINC000340222843 427957964 /nfs/dbraw/zinc/95/79/64/427957964.db2.gz PHNXCZBALRVUND-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H]1CCC[NH+](Cc2ccccc2)[C@H]1C ZINC000340222843 427957969 /nfs/dbraw/zinc/95/79/69/427957969.db2.gz PHNXCZBALRVUND-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CCC[N@H+](Cc2ccccc2)[C@H]1C ZINC000340222843 427957971 /nfs/dbraw/zinc/95/79/71/427957971.db2.gz PHNXCZBALRVUND-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@H]1C ZINC000340222843 427957978 /nfs/dbraw/zinc/95/79/78/427957978.db2.gz PHNXCZBALRVUND-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@@H+](CC)C2)[C@H]1Oc1ccccc1 ZINC000359660903 427961177 /nfs/dbraw/zinc/96/11/77/427961177.db2.gz MMEWTQYUGRGFCM-QXCFHYIPSA-N 2 1 318.461 2.543 20 0 DFADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000359663465 427962688 /nfs/dbraw/zinc/96/26/88/427962688.db2.gz VYGDGXPDULDDHS-CRAIPNDOSA-N 2 1 317.477 2.598 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@@H](C)[C@@]3(C)CCCO3)CC2)[nH+]1 ZINC000340244103 427965838 /nfs/dbraw/zinc/96/58/38/427965838.db2.gz DGZLPFPRHXAQPY-MAUKXSAKSA-N 2 1 303.450 2.906 20 0 DFADMP Cc1cnc(CNC[C@H]2CCC[N@@H+](C)[C@H]2c2cccs2)n1C ZINC000341048016 427978889 /nfs/dbraw/zinc/97/88/89/427978889.db2.gz RPIURCZXBRTLAD-RHSMWYFYSA-N 2 1 318.490 2.963 20 0 DFADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340335207 427989818 /nfs/dbraw/zinc/98/98/18/427989818.db2.gz VGWJCPMOUZSAAO-IRXDYDNUSA-N 2 1 317.477 2.574 20 0 DFADMP CCNC(=O)C(C)(C)C[NH2+][C@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340335207 427989824 /nfs/dbraw/zinc/98/98/24/427989824.db2.gz VGWJCPMOUZSAAO-IRXDYDNUSA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)CC[C@@H](O)C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000369539738 427991863 /nfs/dbraw/zinc/99/18/63/427991863.db2.gz GJBIUZCKJMDESO-FUHWJXTLSA-N 2 1 308.510 2.980 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ncc(C)n1C ZINC000341115562 427994174 /nfs/dbraw/zinc/99/41/74/427994174.db2.gz HBIOBXNJVYFGEX-UHFFFAOYSA-N 2 1 300.450 2.860 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000341110877 427994638 /nfs/dbraw/zinc/99/46/38/427994638.db2.gz CRVJVUCEEMMJCZ-UHFFFAOYSA-N 2 1 319.474 2.564 20 0 DFADMP CC[N@H+](CCC1CC[NH+](Cc2nccn2C)CC1)CC1CC1 ZINC000355899505 427940031 /nfs/dbraw/zinc/94/00/31/427940031.db2.gz XOLAISHRARRWAL-UHFFFAOYSA-N 2 1 304.482 2.754 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2nccn2C)CC1)CC1CC1 ZINC000355899505 427940036 /nfs/dbraw/zinc/94/00/36/427940036.db2.gz XOLAISHRARRWAL-UHFFFAOYSA-N 2 1 304.482 2.754 20 0 DFADMP CC(C)N(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000345889064 427941658 /nfs/dbraw/zinc/94/16/58/427941658.db2.gz QCKRLAMUXOQAKI-QZTJIDSGSA-N 2 1 323.525 2.830 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CC[N@@H+](CC)C1)c1ccc(C(=O)OC)cc1 ZINC000340188847 427950395 /nfs/dbraw/zinc/95/03/95/427950395.db2.gz QKLQEKKEZUCRJT-PBHICJAKSA-N 2 1 304.434 2.856 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C)[N@@H+](CC)C[C@H]1C ZINC000345917028 427951704 /nfs/dbraw/zinc/95/17/04/427951704.db2.gz JXQUGTRUNHELMV-IAGOWNOFSA-N 2 1 311.514 2.830 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CC[C@H]2CCCC[NH+]2C)C1 ZINC000340919347 427952815 /nfs/dbraw/zinc/95/28/15/427952815.db2.gz YFAWJYLKQZRYMD-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[NH+](CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000340919347 427952823 /nfs/dbraw/zinc/95/28/23/427952823.db2.gz YFAWJYLKQZRYMD-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[NH+](CC[C@H]2CCCC[N@H+]2C)C1 ZINC000340919347 427952831 /nfs/dbraw/zinc/95/28/31/427952831.db2.gz YFAWJYLKQZRYMD-IAGOWNOFSA-N 2 1 304.482 2.549 20 0 DFADMP C[N@H+](CCCOc1ccc(F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369636697 428022790 /nfs/dbraw/zinc/02/27/90/428022790.db2.gz HGUKKADXUBGRIT-OAHLLOKOSA-N 2 1 317.408 2.986 20 0 DFADMP C[N@@H+](CCCOc1ccc(F)cc1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000369636697 428022795 /nfs/dbraw/zinc/02/27/95/428022795.db2.gz HGUKKADXUBGRIT-OAHLLOKOSA-N 2 1 317.408 2.986 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000359806282 428024118 /nfs/dbraw/zinc/02/41/18/428024118.db2.gz LWIKWUCXEIXFHC-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000359806282 428024120 /nfs/dbraw/zinc/02/41/20/428024120.db2.gz LWIKWUCXEIXFHC-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000359806282 428024124 /nfs/dbraw/zinc/02/41/24/428024124.db2.gz LWIKWUCXEIXFHC-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H]([NH2+]CCSCCCO)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376938854 428028863 /nfs/dbraw/zinc/02/88/63/428028863.db2.gz FNCUOCNJOJPHRZ-SJLPKXTDSA-N 2 1 322.518 2.602 20 0 DFADMP C[N@@H+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376967626 428033001 /nfs/dbraw/zinc/03/30/01/428033001.db2.gz MJRDRSKKDWQSIU-CQSZACIVSA-N 2 1 322.412 2.831 20 0 DFADMP C[N@H+](Cc1cc2ccccc2[nH]c1=O)C[C@H]1CCc2[nH+]ccn2C1 ZINC000376967626 428033005 /nfs/dbraw/zinc/03/30/05/428033005.db2.gz MJRDRSKKDWQSIU-CQSZACIVSA-N 2 1 322.412 2.831 20 0 DFADMP CC[C@@H]1C[N@H+](CCCCn2cc[nH+]c2C)C[C@@]2(CCCOC2)O1 ZINC000369714880 428040928 /nfs/dbraw/zinc/04/09/28/428040928.db2.gz MOOXGVWEQKKGTF-QZTJIDSGSA-N 2 1 321.465 2.632 20 0 DFADMP CC[C@@H]1C[N@@H+](CCCCn2cc[nH+]c2C)C[C@@]2(CCCOC2)O1 ZINC000369714880 428040936 /nfs/dbraw/zinc/04/09/36/428040936.db2.gz MOOXGVWEQKKGTF-QZTJIDSGSA-N 2 1 321.465 2.632 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729727 428046493 /nfs/dbraw/zinc/04/64/93/428046493.db2.gz APQJRWUVGPGUQV-BRWVUGGUSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729727 428046495 /nfs/dbraw/zinc/04/64/95/428046495.db2.gz APQJRWUVGPGUQV-BRWVUGGUSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729727 428046502 /nfs/dbraw/zinc/04/65/02/428046502.db2.gz APQJRWUVGPGUQV-BRWVUGGUSA-N 2 1 320.477 2.669 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](C[C@H]2CC3(CC3)C(=O)O2)C1 ZINC000369729727 428046506 /nfs/dbraw/zinc/04/65/06/428046506.db2.gz APQJRWUVGPGUQV-BRWVUGGUSA-N 2 1 320.477 2.669 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340364927 428000367 /nfs/dbraw/zinc/00/03/67/428000367.db2.gz GDRJHVYORVLJBL-UONOGXRCSA-N 2 1 302.340 2.948 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340364927 428000371 /nfs/dbraw/zinc/00/03/71/428000371.db2.gz GDRJHVYORVLJBL-UONOGXRCSA-N 2 1 302.340 2.948 20 0 DFADMP Cc1cc(NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)nc(C)n1 ZINC000369562175 428000459 /nfs/dbraw/zinc/00/04/59/428000459.db2.gz XWGPSRQSFAJGJY-CZUORRHYSA-N 2 1 302.447 3.260 20 0 DFADMP Cc1cc(NC[C@H]2CC[N@H+](C)[C@H]2c2cccs2)nc(C)[nH+]1 ZINC000369562175 428000467 /nfs/dbraw/zinc/00/04/67/428000467.db2.gz XWGPSRQSFAJGJY-CZUORRHYSA-N 2 1 302.447 3.260 20 0 DFADMP CCOCCC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CC1 ZINC000376804765 428002152 /nfs/dbraw/zinc/00/21/52/428002152.db2.gz QXTDKKVAXDPDHB-RCCFBDPRSA-N 2 1 324.509 2.672 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccccc2C(=O)OC)C[C@H]1C ZINC000359888657 428061423 /nfs/dbraw/zinc/06/14/23/428061423.db2.gz UWFDVFLYKQKLQG-WBVHZDCISA-N 2 1 318.461 2.820 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccccc2C(=O)OC)C[C@H]1C ZINC000359888657 428061427 /nfs/dbraw/zinc/06/14/27/428061427.db2.gz UWFDVFLYKQKLQG-WBVHZDCISA-N 2 1 318.461 2.820 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccccc2C(=O)OC)C[C@H]1C ZINC000359888657 428061432 /nfs/dbraw/zinc/06/14/32/428061432.db2.gz UWFDVFLYKQKLQG-WBVHZDCISA-N 2 1 318.461 2.820 20 0 DFADMP C[C@H]([NH2+]CC1(CCO)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000376899519 428020352 /nfs/dbraw/zinc/02/03/52/428020352.db2.gz SLMLLSLGFAMKEH-FUHWJXTLSA-N 2 1 302.462 2.649 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(-c3nccn3C)c2)[C@H](C)C1 ZINC000369840307 428073623 /nfs/dbraw/zinc/07/36/23/428073623.db2.gz KWNRETHZIYWRBT-CRAIPNDOSA-N 2 1 312.461 2.907 20 0 DFADMP C[C@H](NC[C@H]1C[N@@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCC2 ZINC000377168145 428074422 /nfs/dbraw/zinc/07/44/22/428074422.db2.gz IVUUMNZMEQLXAA-JVPBZIDWSA-N 2 1 300.446 2.689 20 0 DFADMP C[C@H](NC[C@H]1C[N@H+]2CCC[C@H]2CO1)c1ccc2c(c1)CCC2 ZINC000377168145 428074427 /nfs/dbraw/zinc/07/44/27/428074427.db2.gz IVUUMNZMEQLXAA-JVPBZIDWSA-N 2 1 300.446 2.689 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H](C)[C@@H]1C ZINC000346219934 428075468 /nfs/dbraw/zinc/07/54/68/428075468.db2.gz NLBDBAOYRYYDTB-UONOGXRCSA-N 2 1 302.447 2.902 20 0 DFADMP COC(=O)[C@H](C)[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000377195383 428081181 /nfs/dbraw/zinc/08/11/81/428081181.db2.gz DZEKPYBAMOEVPW-INIZCTEOSA-N 2 1 316.445 2.536 20 0 DFADMP COC(=O)[C@H](C)[NH+]1CCC2(CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000377195383 428081184 /nfs/dbraw/zinc/08/11/84/428081184.db2.gz DZEKPYBAMOEVPW-INIZCTEOSA-N 2 1 316.445 2.536 20 0 DFADMP CC(C)c1[nH+]ccn1[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000369937837 428092915 /nfs/dbraw/zinc/09/29/15/428092915.db2.gz WCDVOGYUKFRPAE-INIZCTEOSA-N 2 1 318.465 2.512 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000359962196 428093493 /nfs/dbraw/zinc/09/34/93/428093493.db2.gz CQPIFOLEXORNJD-CALCHBBNSA-N 2 1 318.509 2.995 20 0 DFADMP CCN(C)c1ccc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)cn1 ZINC000359962196 428093501 /nfs/dbraw/zinc/09/35/01/428093501.db2.gz CQPIFOLEXORNJD-CALCHBBNSA-N 2 1 318.509 2.995 20 0 DFADMP COCC[C@H]1CCC[C@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000370005038 428107885 /nfs/dbraw/zinc/10/78/85/428107885.db2.gz FGWLVUYAMKFJAK-QZTJIDSGSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861186 428113554 /nfs/dbraw/zinc/11/35/54/428113554.db2.gz JIQZJLVSXPWYML-VXGBXAGGSA-N 2 1 302.340 2.753 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](CCOc2ccc(C(F)(F)F)cc2)C1 ZINC000351861184 428114212 /nfs/dbraw/zinc/11/42/12/428114212.db2.gz JIQZJLVSXPWYML-NWDGAFQWSA-N 2 1 302.340 2.753 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@@H]1C[C@H]2CCCC[NH+]2C1)C1CCCCC1 ZINC000370023029 428114290 /nfs/dbraw/zinc/11/42/90/428114290.db2.gz YTDMWCLNWHDHPW-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1)C1CCCCC1 ZINC000370023029 428114294 /nfs/dbraw/zinc/11/42/94/428114294.db2.gz YTDMWCLNWHDHPW-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCCNC(=O)[C@@H]1C[C@H]2CCCC[N@H+]2C1)C1CCCCC1 ZINC000370023029 428114296 /nfs/dbraw/zinc/11/42/96/428114296.db2.gz YTDMWCLNWHDHPW-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351867123 428115672 /nfs/dbraw/zinc/11/56/72/428115672.db2.gz WGCPOPMKSLIGPE-SJORKVTESA-N 2 1 311.514 2.576 20 0 DFADMP CC(C)CCN(CCC(C)C)C(=O)C[N@H+]1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000351867123 428115677 /nfs/dbraw/zinc/11/56/77/428115677.db2.gz WGCPOPMKSLIGPE-SJORKVTESA-N 2 1 311.514 2.576 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016436 428117718 /nfs/dbraw/zinc/11/77/18/428117718.db2.gz MHGAEMMJKQBTSV-NVXWUHKLSA-N 2 1 318.461 2.662 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016436 428117723 /nfs/dbraw/zinc/11/77/23/428117723.db2.gz MHGAEMMJKQBTSV-NVXWUHKLSA-N 2 1 318.461 2.662 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc3c(c2)OCCO3)[C@H](C)C1 ZINC000360016436 428117727 /nfs/dbraw/zinc/11/77/27/428117727.db2.gz MHGAEMMJKQBTSV-NVXWUHKLSA-N 2 1 318.461 2.662 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377411915 428125732 /nfs/dbraw/zinc/12/57/32/428125732.db2.gz JYQSWJZQGYLZTB-HNNXBMFYSA-N 2 1 321.428 2.829 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000377411915 428125737 /nfs/dbraw/zinc/12/57/37/428125737.db2.gz JYQSWJZQGYLZTB-HNNXBMFYSA-N 2 1 321.428 2.829 20 0 DFADMP CC1=C[C@@H](C)C[C@@H](C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)C1 ZINC000356321553 428126011 /nfs/dbraw/zinc/12/60/11/428126011.db2.gz QJASRKWRORFTIO-SJLPKXTDSA-N 2 1 307.526 2.937 20 0 DFADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CCC3CC3)CC2)CC1 ZINC000359895739 428065845 /nfs/dbraw/zinc/06/58/45/428065845.db2.gz GDKUIAJGYUKXBB-UHFFFAOYSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+](CCC1CC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000359895739 428065851 /nfs/dbraw/zinc/06/58/51/428065851.db2.gz GDKUIAJGYUKXBB-UHFFFAOYSA-N 3 1 307.526 2.915 20 0 DFADMP C[N@@H+](CCC1CC1)CCC1CC[NH+](C2CC[NH+](C)CC2)CC1 ZINC000359895739 428065856 /nfs/dbraw/zinc/06/58/56/428065856.db2.gz GDKUIAJGYUKXBB-UHFFFAOYSA-N 3 1 307.526 2.915 20 0 DFADMP Cn1cc(-c2ccc(C[N@H+]3CCCC[C@@H]3CC[NH3+])s2)cn1 ZINC000352546405 428145825 /nfs/dbraw/zinc/14/58/25/428145825.db2.gz USOMLKXMCUSLBY-CQSZACIVSA-N 2 1 304.463 2.852 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352534921 428139644 /nfs/dbraw/zinc/13/96/44/428139644.db2.gz KRHQLTDBCUGQFL-GOSISDBHSA-N 2 1 304.434 2.588 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)cc1OC ZINC000352534921 428139646 /nfs/dbraw/zinc/13/96/46/428139646.db2.gz KRHQLTDBCUGQFL-GOSISDBHSA-N 2 1 304.434 2.588 20 0 DFADMP CC1(C)Cc2cc(C[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2O1 ZINC000352541089 428140999 /nfs/dbraw/zinc/14/09/99/428140999.db2.gz TZYXBPKLFIYQTF-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3CCC[C@]4(CC[NH2+]C4)C3)ccc2O1 ZINC000352541089 428141003 /nfs/dbraw/zinc/14/10/03/428141003.db2.gz TZYXBPKLFIYQTF-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352539876 428142763 /nfs/dbraw/zinc/14/27/63/428142763.db2.gz DOXNPGXIJUQLID-UHFFFAOYSA-N 2 1 306.498 2.886 20 0 DFADMP C[N@@H+](CCN1CC[C@@H]([NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000360071613 428144584 /nfs/dbraw/zinc/14/45/84/428144584.db2.gz LYKDBLMRDWQZDS-LJQANCHMSA-N 2 1 319.468 2.818 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2cnn(C)c2)c1 ZINC000352545872 428145370 /nfs/dbraw/zinc/14/53/70/428145370.db2.gz MNOBJKYPJGVAOL-HXUWFJFHSA-N 2 1 324.472 2.971 20 0 DFADMP CSC1(C[NH+]2CCC(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)CC1 ZINC000377540864 428152485 /nfs/dbraw/zinc/15/24/85/428152485.db2.gz KNKLTYPSVMKOMD-GASCZTMLSA-N 2 1 312.523 2.703 20 0 DFADMP Cc1cccc(C[N@H+](C)[C@H]2CCN(C3CC[NH+](C)CC3)C2)c1C ZINC000377628939 428176877 /nfs/dbraw/zinc/17/68/77/428176877.db2.gz OYHFCHFSJPSFJK-FQEVSTJZSA-N 2 1 315.505 2.904 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](C/C=C/c3ccccc3)C2)CC1 ZINC000377628670 428176953 /nfs/dbraw/zinc/17/69/53/428176953.db2.gz QLXWKFQEWNFNNP-MRSBXDGLSA-N 2 1 313.489 2.659 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C3Cc4ccccc4C3)C2)nc(C)[nH+]1 ZINC000377629685 428177008 /nfs/dbraw/zinc/17/70/08/428177008.db2.gz DCYNCFOMAPFMIJ-SFHVURJKSA-N 2 1 322.456 2.819 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)C12CCOCC2 ZINC000346540742 428210622 /nfs/dbraw/zinc/21/06/22/428210622.db2.gz ZPATUXAXGGIFLB-IRXDYDNUSA-N 2 1 324.509 2.815 20 0 DFADMP Cc1nn(C)cc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356516095 428211903 /nfs/dbraw/zinc/21/19/03/428211903.db2.gz BBAMSVPBSYRSLL-QUCCMNQESA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000356516095 428211907 /nfs/dbraw/zinc/21/19/07/428211907.db2.gz BBAMSVPBSYRSLL-QUCCMNQESA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356516095 428211911 /nfs/dbraw/zinc/21/19/11/428211911.db2.gz BBAMSVPBSYRSLL-QUCCMNQESA-N 2 1 324.472 2.682 20 0 DFADMP Cc1nn(C)cc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000356516095 428211916 /nfs/dbraw/zinc/21/19/16/428211916.db2.gz BBAMSVPBSYRSLL-QUCCMNQESA-N 2 1 324.472 2.682 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1C ZINC000414132712 428215135 /nfs/dbraw/zinc/21/51/35/428215135.db2.gz ZREVOWJWLDOOMM-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@@H]1C ZINC000414132712 428215140 /nfs/dbraw/zinc/21/51/40/428215140.db2.gz ZREVOWJWLDOOMM-WZGPROSRSA-N 2 1 302.462 2.648 20 0 DFADMP Cc1n[nH]c(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000356523057 428217791 /nfs/dbraw/zinc/21/77/91/428217791.db2.gz JMGQIBCESLRYRT-RBUKOAKNSA-N 2 1 324.472 2.980 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000356523057 428217796 /nfs/dbraw/zinc/21/77/96/428217796.db2.gz JMGQIBCESLRYRT-RBUKOAKNSA-N 2 1 324.472 2.980 20 0 DFADMP Cc1n[nH]c(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000356523057 428217803 /nfs/dbraw/zinc/21/78/03/428217803.db2.gz JMGQIBCESLRYRT-RBUKOAKNSA-N 2 1 324.472 2.980 20 0 DFADMP C[N@@H+](CCCCCF)CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000352719801 428219142 /nfs/dbraw/zinc/21/91/42/428219142.db2.gz NLHXXXZVUISLPY-UHFFFAOYSA-N 2 1 321.484 2.876 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1cc2c(s1)CCCC2 ZINC000360242311 428220683 /nfs/dbraw/zinc/22/06/83/428220683.db2.gz NVBACTIJHOEBNK-ZFWWWQNUSA-N 2 1 308.491 2.734 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1CC[C@H]1CCCC[N@@H+]1C ZINC000370495681 428221708 /nfs/dbraw/zinc/22/17/08/428221708.db2.gz BQTFCUJODHVGQL-KZNAEPCWSA-N 2 1 321.509 2.726 20 0 DFADMP CCC(=O)N1CCC[C@@H]1[C@H]1CCC[NH+]1CC[C@H]1CCCC[N@H+]1C ZINC000370495681 428221715 /nfs/dbraw/zinc/22/17/15/428221715.db2.gz BQTFCUJODHVGQL-KZNAEPCWSA-N 2 1 321.509 2.726 20 0 DFADMP CC1(C)CC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000346568027 428222632 /nfs/dbraw/zinc/22/26/32/428222632.db2.gz WBLHZARVWPCCHR-HKUYNNGSSA-N 2 1 302.462 2.792 20 0 DFADMP CC1(C)CC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000346568027 428222636 /nfs/dbraw/zinc/22/26/36/428222636.db2.gz WBLHZARVWPCCHR-HKUYNNGSSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000414180646 428226603 /nfs/dbraw/zinc/22/66/03/428226603.db2.gz LQSRKRPAJMBMNA-CVEARBPZSA-N 2 1 317.477 2.771 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[N@@H+](C)C1)c1nc2ccccc2n1C ZINC000414184824 428227469 /nfs/dbraw/zinc/22/74/69/428227469.db2.gz OJMRJWOCEYEBQC-LSDHHAIUSA-N 2 1 300.450 2.956 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](CCSC(C)(C)C)CC1 ZINC000370505920 428227869 /nfs/dbraw/zinc/22/78/69/428227869.db2.gz ADBCTIQEEWOQGE-MRXNPFEDSA-N 2 1 313.555 2.620 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000352770617 428239872 /nfs/dbraw/zinc/23/98/72/428239872.db2.gz NEUZNUPYPRCJBV-NXHRZFHOSA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000352770617 428239877 /nfs/dbraw/zinc/23/98/77/428239877.db2.gz NEUZNUPYPRCJBV-NXHRZFHOSA-N 2 1 322.880 2.832 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](CO)[C@H](c2ccc(Cl)cc2)C1 ZINC000352770617 428239881 /nfs/dbraw/zinc/23/98/81/428239881.db2.gz NEUZNUPYPRCJBV-NXHRZFHOSA-N 2 1 322.880 2.832 20 0 DFADMP COCC[NH+]1CCC([NH2+]CCc2c[nH]c3cc(F)ccc23)CC1 ZINC000360161464 428187312 /nfs/dbraw/zinc/18/73/12/428187312.db2.gz HVHUKMVLQKDODB-UHFFFAOYSA-N 2 1 319.424 2.550 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC000346481332 428189853 /nfs/dbraw/zinc/18/98/53/428189853.db2.gz GOFTUMCIJPOCHD-MAUKXSAKSA-N 2 1 317.477 2.551 20 0 DFADMP C[N@@H+](Cc1nc2ccc(F)cc2o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377673045 428190555 /nfs/dbraw/zinc/19/05/55/428190555.db2.gz IGELOCSTSJZNRG-GFCCVEGCSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](Cc1nc2ccc(F)cc2o1)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377673045 428190558 /nfs/dbraw/zinc/19/05/58/428190558.db2.gz IGELOCSTSJZNRG-GFCCVEGCSA-N 2 1 314.364 2.858 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000414063276 428193618 /nfs/dbraw/zinc/19/36/18/428193618.db2.gz DNORYPPQNIIFNN-OAHLLOKOSA-N 2 1 306.450 2.501 20 0 DFADMP CC(C)(C[NH2+]Cc1cc(-c2cccnc2)n[nH]1)C[NH+]1CCCC1 ZINC000360181052 428194500 /nfs/dbraw/zinc/19/45/00/428194500.db2.gz OYWVPNBUDRELOW-UHFFFAOYSA-N 2 1 313.449 2.683 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)c1cc2n(n1)CCC2 ZINC000414072378 428199582 /nfs/dbraw/zinc/19/95/82/428199582.db2.gz MLMYPZKLBSNNSW-HZPDHXFCSA-N 2 1 304.482 2.992 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370403579 428201391 /nfs/dbraw/zinc/20/13/91/428201391.db2.gz FSMVYNCNWQFJEV-WMLDXEAASA-N 2 1 317.408 2.558 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+](C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000370403579 428201395 /nfs/dbraw/zinc/20/13/95/428201395.db2.gz FSMVYNCNWQFJEV-WMLDXEAASA-N 2 1 317.408 2.558 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000370406959 428204917 /nfs/dbraw/zinc/20/49/17/428204917.db2.gz OVTHJNVTHACACQ-MRXNPFEDSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+](C)C[C@H]2CCc3[nH+]ccn3C2)c1 ZINC000370406959 428204921 /nfs/dbraw/zinc/20/49/21/428204921.db2.gz OVTHJNVTHACACQ-MRXNPFEDSA-N 2 1 312.417 2.536 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000414339880 428264022 /nfs/dbraw/zinc/26/40/22/428264022.db2.gz SYQFPZLEFQMTNU-KURKYZTESA-N 2 1 316.445 2.897 20 0 DFADMP COC(=O)CC[C@H]([NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1 ZINC000414339880 428264038 /nfs/dbraw/zinc/26/40/38/428264038.db2.gz SYQFPZLEFQMTNU-KURKYZTESA-N 2 1 316.445 2.897 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])CN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346668530 428266303 /nfs/dbraw/zinc/26/63/03/428266303.db2.gz IUEFNZCKCYHOLQ-SJLPKXTDSA-N 2 1 303.494 2.814 20 0 DFADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+]C(C3CC3)C3CC3)CC2)CC1 ZINC000370661583 428267673 /nfs/dbraw/zinc/26/76/73/428267673.db2.gz UGIRYKHVXNHEGK-UHFFFAOYSA-N 3 1 319.537 2.961 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000346683574 428270090 /nfs/dbraw/zinc/27/00/90/428270090.db2.gz PEFLRSDXNRMZSI-CHWSQXEVSA-N 2 1 318.852 2.910 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000346683574 428270095 /nfs/dbraw/zinc/27/00/95/428270095.db2.gz PEFLRSDXNRMZSI-CHWSQXEVSA-N 2 1 318.852 2.910 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000414355954 428270784 /nfs/dbraw/zinc/27/07/84/428270784.db2.gz ZKHOFSDYJFCOKF-YSHGAJCASA-N 2 1 317.452 2.867 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1ccccc1OCc1ccccn1 ZINC000346678545 428272007 /nfs/dbraw/zinc/27/20/07/428272007.db2.gz LRKPLTPPZMOCMZ-JKSUJKDBSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000346683575 428272207 /nfs/dbraw/zinc/27/22/07/428272207.db2.gz PEFLRSDXNRMZSI-OLZOCXBDSA-N 2 1 318.852 2.910 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cn(C)nc2-c2ccccc2Cl)C1 ZINC000346683575 428272212 /nfs/dbraw/zinc/27/22/12/428272212.db2.gz PEFLRSDXNRMZSI-OLZOCXBDSA-N 2 1 318.852 2.910 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)CC(C)(C)C[NH3+] ZINC000346694768 428275067 /nfs/dbraw/zinc/27/50/67/428275067.db2.gz WBUXEZKXYNNWLC-UHFFFAOYSA-N 2 1 306.841 2.942 20 0 DFADMP C[N@@H+](Cc1cnn(-c2ccc(Cl)cc2)c1)CC(C)(C)C[NH3+] ZINC000346694768 428275071 /nfs/dbraw/zinc/27/50/71/428275071.db2.gz WBUXEZKXYNNWLC-UHFFFAOYSA-N 2 1 306.841 2.942 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1Cc1ccc(OCC(F)(F)F)cc1 ZINC000346694083 428275502 /nfs/dbraw/zinc/27/55/02/428275502.db2.gz RTVTYJGTRXBMFV-YPMHNXCESA-N 2 1 302.340 2.797 20 0 DFADMP CSc1cc2c(cc1C[N@H+](C)CC[C@@H]([NH3+])C(C)C)OCCO2 ZINC000346694935 428275919 /nfs/dbraw/zinc/27/59/19/428275919.db2.gz XKERHUQVKZPADZ-CQSZACIVSA-N 2 1 324.490 2.985 20 0 DFADMP CSc1cc2c(cc1C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)OCCO2 ZINC000346694935 428275923 /nfs/dbraw/zinc/27/59/23/428275923.db2.gz XKERHUQVKZPADZ-CQSZACIVSA-N 2 1 324.490 2.985 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cccc(OCC(F)(F)F)c1 ZINC000346694596 428277452 /nfs/dbraw/zinc/27/74/52/428277452.db2.gz VBCWJSZBRRCRNO-WCQYABFASA-N 2 1 302.340 2.797 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@@H]21 ZINC000342097464 428298577 /nfs/dbraw/zinc/29/85/77/428298577.db2.gz HSKCDRZWHZLESL-UHOFOFEASA-N 2 1 321.852 2.728 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342100415 428298605 /nfs/dbraw/zinc/29/86/05/428298605.db2.gz KFOGBJZSVDAKON-KNPMLCFXSA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342100415 428298606 /nfs/dbraw/zinc/29/86/06/428298606.db2.gz KFOGBJZSVDAKON-KNPMLCFXSA-N 2 1 321.852 2.726 20 0 DFADMP OC[C@H]1CCC[N@H+]1C[C@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000370723187 428283909 /nfs/dbraw/zinc/28/39/09/428283909.db2.gz SOYVSQARKFCKMP-HZPDHXFCSA-N 2 1 311.429 2.660 20 0 DFADMP CCc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)cn1 ZINC000414426583 428291722 /nfs/dbraw/zinc/29/17/22/428291722.db2.gz HRBZYMCKMRCWKI-HOCLYGCPSA-N 2 1 302.466 2.782 20 0 DFADMP CCc1ncc(C[NH2+][C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)cn1 ZINC000414426583 428291727 /nfs/dbraw/zinc/29/17/27/428291727.db2.gz HRBZYMCKMRCWKI-HOCLYGCPSA-N 2 1 302.466 2.782 20 0 DFADMP CC(C)N(C)c1ccc(CN2CCC[C@@H]3C[N@@H+](C)CC[C@H]32)cn1 ZINC000377838599 428243265 /nfs/dbraw/zinc/24/32/65/428243265.db2.gz AJVYETARZCYTMA-QZTJIDSGSA-N 2 1 316.493 2.842 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCOc2ncccc2Cl)[C@H]2CCC[C@@H]21 ZINC000370586054 428247686 /nfs/dbraw/zinc/24/76/86/428247686.db2.gz ZXPMRUSUPKEFJF-SNPRPXQTSA-N 2 1 309.841 2.576 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370600082 428248468 /nfs/dbraw/zinc/24/84/68/428248468.db2.gz STQBUQCYSNWOSD-NZSAHSFTSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370600082 428248475 /nfs/dbraw/zinc/24/84/75/428248475.db2.gz STQBUQCYSNWOSD-NZSAHSFTSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370600082 428248479 /nfs/dbraw/zinc/24/84/79/428248479.db2.gz STQBUQCYSNWOSD-NZSAHSFTSA-N 2 1 314.429 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@H]3C2)cc1 ZINC000370600082 428248485 /nfs/dbraw/zinc/24/84/85/428248485.db2.gz STQBUQCYSNWOSD-NZSAHSFTSA-N 2 1 314.429 2.528 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2ncccc2C(F)(F)F)CC1 ZINC000346636926 428249201 /nfs/dbraw/zinc/24/92/01/428249201.db2.gz IGRDQILNKJUDCD-UHFFFAOYSA-N 2 1 301.356 2.922 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCC[C@@H]2CCCC[C@@H]2O)s1 ZINC000352789202 428249312 /nfs/dbraw/zinc/24/93/12/428249312.db2.gz MWCNHVPOSRSCRH-ZFWWWQNUSA-N 2 1 311.495 2.626 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3c[nH]nc3C(C)(C)C)C2)CC1 ZINC000377883569 428252452 /nfs/dbraw/zinc/25/24/52/428252452.db2.gz KHXFDWDDQVBABE-OAHLLOKOSA-N 2 1 304.482 2.871 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000377885404 428254031 /nfs/dbraw/zinc/25/40/31/428254031.db2.gz SUOIBSLMLMTQFX-KRWDZBQOSA-N 2 1 304.482 2.936 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)CC(C)(C)C[NH3+] ZINC000346656651 428258135 /nfs/dbraw/zinc/25/81/35/428258135.db2.gz GUXZYKUNAIZHLL-UHFFFAOYSA-N 2 1 308.376 2.772 20 0 DFADMP CN(Cc1cncn1Cc1ccccc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000352921911 428314936 /nfs/dbraw/zinc/31/49/36/428314936.db2.gz MDBXIQKNVZHONH-DFNIBXOVSA-N 2 1 324.472 2.988 20 0 DFADMP COc1cc2c(c(CN3CC[C@@H]4CC[N@@H+](C)C[C@H]43)c1)O[C@H](C)C2 ZINC000352930309 428318122 /nfs/dbraw/zinc/31/81/22/428318122.db2.gz KBRXJNCXOYXAOU-QWQRMKEZSA-N 2 1 316.445 2.545 20 0 DFADMP COc1ccc(CN[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)c(C)c1OC ZINC000342172699 428332837 /nfs/dbraw/zinc/33/28/37/428332837.db2.gz STUCMDVWDIHULE-WFASDCNBSA-N 2 1 304.434 2.727 20 0 DFADMP COc1ccc(CN[C@H]2C[C@H](C)[N@H+](C3CC3)C2)c(C)c1OC ZINC000342172699 428332841 /nfs/dbraw/zinc/33/28/41/428332841.db2.gz STUCMDVWDIHULE-WFASDCNBSA-N 2 1 304.434 2.727 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C[C@@H]12 ZINC000346827294 428333861 /nfs/dbraw/zinc/33/38/61/428333861.db2.gz IAOQYWSZPPZKFL-JVLSTEMRSA-N 2 1 318.371 2.524 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c[nH]nc3-c3c(F)cccc3F)C[C@@H]12 ZINC000346827294 428333865 /nfs/dbraw/zinc/33/38/65/428333865.db2.gz IAOQYWSZPPZKFL-JVLSTEMRSA-N 2 1 318.371 2.524 20 0 DFADMP CCc1nocc1CN1CC[C@@H](C[N@@H+](C)Cc2cccnc2)C1 ZINC000353023457 428356176 /nfs/dbraw/zinc/35/61/76/428356176.db2.gz XHALSRLBMDYQRC-INIZCTEOSA-N 2 1 314.433 2.586 20 0 DFADMP CCc1nocc1C[N@@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000353023457 428356184 /nfs/dbraw/zinc/35/61/84/428356184.db2.gz XHALSRLBMDYQRC-INIZCTEOSA-N 2 1 314.433 2.586 20 0 DFADMP CCOc1cc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)ccc1OC ZINC000346841268 428341403 /nfs/dbraw/zinc/34/14/03/428341403.db2.gz GYXDZZWTTKLMLP-HRCADAONSA-N 2 1 304.434 2.653 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840105 428343036 /nfs/dbraw/zinc/34/30/36/428343036.db2.gz ZIVGZRSTVWGNTF-IPMKNSEASA-N 2 1 315.505 2.814 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840105 428343040 /nfs/dbraw/zinc/34/30/40/428343040.db2.gz ZIVGZRSTVWGNTF-IPMKNSEASA-N 2 1 315.505 2.814 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840105 428343048 /nfs/dbraw/zinc/34/30/48/428343048.db2.gz ZIVGZRSTVWGNTF-IPMKNSEASA-N 2 1 315.505 2.814 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840105 428343055 /nfs/dbraw/zinc/34/30/55/428343055.db2.gz ZIVGZRSTVWGNTF-IPMKNSEASA-N 3 1 315.505 2.814 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840105 428343060 /nfs/dbraw/zinc/34/30/60/428343060.db2.gz ZIVGZRSTVWGNTF-IPMKNSEASA-N 3 1 315.505 2.814 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840105 428343063 /nfs/dbraw/zinc/34/30/63/428343063.db2.gz ZIVGZRSTVWGNTF-IPMKNSEASA-N 3 1 315.505 2.814 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000346840105 428343068 /nfs/dbraw/zinc/34/30/68/428343068.db2.gz ZIVGZRSTVWGNTF-IPMKNSEASA-N 3 1 315.505 2.814 20 0 DFADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)sc2C1 ZINC000346842159 428343582 /nfs/dbraw/zinc/34/35/82/428343582.db2.gz WUPHNSWIKSUSEJ-RFGFWPKPSA-N 2 1 305.491 2.827 20 0 DFADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@H]4C3)sc2C1 ZINC000346842159 428343586 /nfs/dbraw/zinc/34/35/86/428343586.db2.gz WUPHNSWIKSUSEJ-RFGFWPKPSA-N 2 1 305.491 2.827 20 0 DFADMP CCc1nocc1C[N@H+]1CC[C@@H](CN(C)Cc2cccnc2)C1 ZINC000353023457 428356189 /nfs/dbraw/zinc/35/61/89/428356189.db2.gz XHALSRLBMDYQRC-INIZCTEOSA-N 2 1 314.433 2.586 20 0 DFADMP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346850582 428346127 /nfs/dbraw/zinc/34/61/27/428346127.db2.gz UQBSFXKWENTTFF-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@H]2CCC[NH2+]C2)c1 ZINC000346850582 428346133 /nfs/dbraw/zinc/34/61/33/428346133.db2.gz UQBSFXKWENTTFF-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP Cc1cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)sc1Br ZINC000346857445 428348734 /nfs/dbraw/zinc/34/87/34/428348734.db2.gz QPORKVGDQXOEFU-DLOVCJGASA-N 2 1 315.280 2.988 20 0 DFADMP Cc1cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)sc1Br ZINC000346857445 428348739 /nfs/dbraw/zinc/34/87/39/428348739.db2.gz QPORKVGDQXOEFU-DLOVCJGASA-N 2 1 315.280 2.988 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cccc(O)c2Br)C1 ZINC000414728136 428388546 /nfs/dbraw/zinc/38/85/46/428388546.db2.gz BQMMCZZMLWHVAX-NSHDSACASA-N 2 1 313.239 2.716 20 0 DFADMP COC(=O)C[N@@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735211 428389544 /nfs/dbraw/zinc/38/95/44/428389544.db2.gz CETPMWVZMZXTOO-UKRRQHHQSA-N 2 1 324.852 2.703 20 0 DFADMP COC(=O)C[N@H+](Cc1ccc(Cl)cc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414735211 428389548 /nfs/dbraw/zinc/38/95/48/428389548.db2.gz CETPMWVZMZXTOO-UKRRQHHQSA-N 2 1 324.852 2.703 20 0 DFADMP CSc1ccccc1NC(=O)C[N@@H+](C)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414742778 428391140 /nfs/dbraw/zinc/39/11/40/428391140.db2.gz UDAVGBPPDUFJHX-KBPBESRZSA-N 2 1 321.490 2.667 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCCC3(CCCCC3)CC2)C1 ZINC000414746093 428392759 /nfs/dbraw/zinc/39/27/59/428392759.db2.gz QCUCFUWDRUIVJZ-KRWDZBQOSA-N 2 1 321.509 2.620 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](CCc2ccccn2)Cc2cccnc2)CC[NH2+]1 ZINC000414761079 428394785 /nfs/dbraw/zinc/39/47/85/428394785.db2.gz ZZWGUEUMANUAMT-ZWKOTPCHSA-N 2 1 324.472 2.909 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000346983332 428395520 /nfs/dbraw/zinc/39/55/20/428395520.db2.gz PQMLCZPINISVQN-HOCLYGCPSA-N 2 1 309.498 2.534 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414770665 428397611 /nfs/dbraw/zinc/39/76/11/428397611.db2.gz PITOMEAAFJEMDG-BETUJISGSA-N 2 1 302.447 2.570 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1SC ZINC000414764400 428398345 /nfs/dbraw/zinc/39/83/45/428398345.db2.gz DHZRNOGPUUBEQF-GASCZTMLSA-N 2 1 306.475 2.849 20 0 DFADMP COc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OCC(F)(F)F ZINC000414764200 428399286 /nfs/dbraw/zinc/39/92/86/428399286.db2.gz ADCJLYWWCHZZNI-UHFFFAOYSA-N 2 1 318.339 2.558 20 0 DFADMP COc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OCC(F)(F)F ZINC000414764200 428399290 /nfs/dbraw/zinc/39/92/90/428399290.db2.gz ADCJLYWWCHZZNI-UHFFFAOYSA-N 2 1 318.339 2.558 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775031 428399890 /nfs/dbraw/zinc/39/98/90/428399890.db2.gz GAYYVFBZROMNFP-JKSUJKDBSA-N 2 1 311.429 2.762 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414775025 428399983 /nfs/dbraw/zinc/39/99/83/428399983.db2.gz GAYYVFBZROMNFP-HOTGVXAUSA-N 2 1 311.429 2.762 20 0 DFADMP CC(C)N(C)c1ccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cn1 ZINC000414773631 428400756 /nfs/dbraw/zinc/40/07/56/428400756.db2.gz DQBOIRYDEGGWKF-ROUUACIJSA-N 2 1 316.493 2.748 20 0 DFADMP Cc1nn(C(C)(C)C)c(C)c1C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000414773750 428400834 /nfs/dbraw/zinc/40/08/34/428400834.db2.gz XQWHKVRUVXVKMZ-IYBDPMFKSA-N 2 1 304.482 2.686 20 0 DFADMP Fc1cc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC(F)F ZINC000414771764 428400987 /nfs/dbraw/zinc/40/09/87/428400987.db2.gz ROBYLXRFLMHLCO-BETUJISGSA-N 2 1 314.351 2.859 20 0 DFADMP c1csc(-c2n[nH]cc2C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1 ZINC000414772177 428402031 /nfs/dbraw/zinc/40/20/31/428402031.db2.gz BGPSAIZRJGXCSZ-KGLIPLIRSA-N 2 1 316.474 2.960 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414780645 428403523 /nfs/dbraw/zinc/40/35/23/428403523.db2.gz LUKJVLCUHONJQC-WOJBJXKFSA-N 2 1 324.472 2.753 20 0 DFADMP C[N@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1CC([NH3+])C1 ZINC000414777924 428405511 /nfs/dbraw/zinc/40/55/11/428405511.db2.gz PGZTZRXVPYQNGC-UHFFFAOYSA-N 2 1 306.303 2.688 20 0 DFADMP C[N@@H+](Cc1ccc(OCC(F)(F)F)c(F)c1)C1CC([NH3+])C1 ZINC000414777924 428405521 /nfs/dbraw/zinc/40/55/21/428405521.db2.gz PGZTZRXVPYQNGC-UHFFFAOYSA-N 2 1 306.303 2.688 20 0 DFADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414784079 428406168 /nfs/dbraw/zinc/40/61/68/428406168.db2.gz QSYRBKRXXXRLRA-DLBZAZTESA-N 2 1 310.445 2.694 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357138985 428406184 /nfs/dbraw/zinc/40/61/84/428406184.db2.gz XPDVKLFERFHGKR-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1ccc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)cc1OC ZINC000357138985 428406190 /nfs/dbraw/zinc/40/61/90/428406190.db2.gz XPDVKLFERFHGKR-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP Cc1cc(Cl)ccc1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414781942 428406773 /nfs/dbraw/zinc/40/67/73/428406773.db2.gz NUHPXEQTHHJBAT-OAHLLOKOSA-N 2 1 308.853 2.836 20 0 DFADMP Cc1cc(C)c(C[N@H+]2C[C@@H](C[NH3+])C3(C2)CCOCC3)c(C)c1 ZINC000414791781 428414496 /nfs/dbraw/zinc/41/44/96/428414496.db2.gz QXNHJUGAZQIKNW-QGZVFWFLSA-N 2 1 302.462 2.799 20 0 DFADMP CCOc1cc(C[NH2+]C2CC[NH2+]CC2)ccc1OC(F)F ZINC000414787882 428411242 /nfs/dbraw/zinc/41/12/42/428411242.db2.gz LYUHZFHLJXJIQJ-UHFFFAOYSA-N 2 1 300.349 2.528 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNc1cc[nH+]cc1Br ZINC000342232389 428361171 /nfs/dbraw/zinc/36/11/71/428361171.db2.gz YQPUHVGASTVMBE-TXEJJXNPSA-N 2 1 312.255 2.941 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNc1cc[nH+]cc1Br ZINC000342232389 428361175 /nfs/dbraw/zinc/36/11/75/428361175.db2.gz YQPUHVGASTVMBE-TXEJJXNPSA-N 2 1 312.255 2.941 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H](C)c3ccccn3)C2)nc(C)[nH+]1 ZINC000371151622 428370802 /nfs/dbraw/zinc/37/08/02/428370802.db2.gz OVSUNZRZGIMXOB-GDBMZVCRSA-N 2 1 311.433 2.808 20 0 DFADMP CCC[N@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000353058083 428371104 /nfs/dbraw/zinc/37/11/04/428371104.db2.gz CLDMBXORPGMGRQ-OAHLLOKOSA-N 2 1 311.514 2.734 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)C(C)(C)C)CC1 ZINC000353058083 428371110 /nfs/dbraw/zinc/37/11/10/428371110.db2.gz CLDMBXORPGMGRQ-OAHLLOKOSA-N 2 1 311.514 2.734 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCc2sccc2[C@H]1c1cccs1 ZINC000357038502 428372203 /nfs/dbraw/zinc/37/22/03/428372203.db2.gz YZJIQSMAKPZTLX-HNNXBMFYSA-N 2 1 308.472 2.732 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+](C)C[C@H]2CC[NH2+][C@@H](C)C2)c1C ZINC000414677035 428373924 /nfs/dbraw/zinc/37/39/24/428373924.db2.gz ODPSSLKIAYICIM-HOCLYGCPSA-N 2 1 303.450 2.562 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@H]4C3)ccc2O1 ZINC000414676037 428374225 /nfs/dbraw/zinc/37/42/25/428374225.db2.gz UQTZPWBAXMFDSM-BHYGNILZSA-N 2 1 300.446 2.959 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689845 428374941 /nfs/dbraw/zinc/37/49/41/428374941.db2.gz LWFPFIMMNXYTOI-MKXGPGLRSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689845 428374946 /nfs/dbraw/zinc/37/49/46/428374946.db2.gz LWFPFIMMNXYTOI-MKXGPGLRSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CCC[C@H](C[N@H+]3CCCC[C@H]3C)C2)CC[NH2+]1 ZINC000414689845 428374949 /nfs/dbraw/zinc/37/49/49/428374949.db2.gz LWFPFIMMNXYTOI-MKXGPGLRSA-N 3 1 307.526 2.961 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3cc(OC)ccc32)[C@@H](C)C1 ZINC000372047957 428413557 /nfs/dbraw/zinc/41/35/57/428413557.db2.gz VZSANQKHWCSADK-JQFCIGGWSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3cc(OC)ccc32)[C@@H](C)C1 ZINC000372047957 428413563 /nfs/dbraw/zinc/41/35/63/428413563.db2.gz VZSANQKHWCSADK-JQFCIGGWSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCC[C@H]2c2cccc3c2OCCO3)CC[NH2+]1 ZINC000414693712 428378665 /nfs/dbraw/zinc/37/86/65/428378665.db2.gz MXADPNLDBNGLCW-INMHGKMJSA-N 2 1 316.445 2.983 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000414694478 428379485 /nfs/dbraw/zinc/37/94/85/428379485.db2.gz NXFFHZDEKAROGJ-PBFPGSCMSA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCO[C@@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000414694478 428379492 /nfs/dbraw/zinc/37/94/92/428379492.db2.gz NXFFHZDEKAROGJ-PBFPGSCMSA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000414694474 428379564 /nfs/dbraw/zinc/37/95/64/428379564.db2.gz NXFFHZDEKAROGJ-IGCXYCKISA-N 2 1 310.388 2.726 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](c3ccc(F)c(F)c3)C2)CC[NH2+]1 ZINC000414694474 428379567 /nfs/dbraw/zinc/37/95/67/428379567.db2.gz NXFFHZDEKAROGJ-IGCXYCKISA-N 2 1 310.388 2.726 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC2 ZINC000371326338 428381552 /nfs/dbraw/zinc/38/15/52/428381552.db2.gz MIYCGDYAPNQAHK-IBGZPJMESA-N 2 1 300.446 2.774 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC000371326338 428381557 /nfs/dbraw/zinc/38/15/57/428381557.db2.gz MIYCGDYAPNQAHK-IBGZPJMESA-N 2 1 300.446 2.774 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000371326338 428381560 /nfs/dbraw/zinc/38/15/60/428381560.db2.gz MIYCGDYAPNQAHK-IBGZPJMESA-N 2 1 300.446 2.774 20 0 DFADMP CC(=O)c1ccc2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH+]1C)CC2 ZINC000371326338 428381566 /nfs/dbraw/zinc/38/15/66/428381566.db2.gz MIYCGDYAPNQAHK-IBGZPJMESA-N 2 1 300.446 2.774 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](Cc2ccccc2)[C@H](CO)C2CC2)CC[NH2+]1 ZINC000414715632 428385712 /nfs/dbraw/zinc/38/57/12/428385712.db2.gz RHXUOLRORDYXDO-SZVBFZGTSA-N 2 1 302.462 2.648 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357098903 428386971 /nfs/dbraw/zinc/38/69/71/428386971.db2.gz BXGCAPQMJARUBR-KBPBESRZSA-N 2 1 314.351 2.669 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357098903 428386975 /nfs/dbraw/zinc/38/69/75/428386975.db2.gz BXGCAPQMJARUBR-KBPBESRZSA-N 2 1 314.351 2.669 20 0 DFADMP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414848557 428433894 /nfs/dbraw/zinc/43/38/94/428433894.db2.gz PYZWCGIUTCSTSX-PWSUYJOCSA-N 2 1 315.230 2.861 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@H](C[NH3+])C2CCCCC2)cn1 ZINC000414855235 428436003 /nfs/dbraw/zinc/43/60/03/428436003.db2.gz WICVAZQUNVURGP-QGZVFWFLSA-N 2 1 304.482 2.923 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cn1 ZINC000414855234 428436752 /nfs/dbraw/zinc/43/67/52/428436752.db2.gz WICVAZQUNVURGP-KRWDZBQOSA-N 2 1 304.482 2.923 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000347090425 428438845 /nfs/dbraw/zinc/43/88/45/428438845.db2.gz GBYXKNZDUXDOOP-CHWSQXEVSA-N 2 1 304.463 2.708 20 0 DFADMP CC(C)(C)c1n[nH]cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360790844 428440004 /nfs/dbraw/zinc/44/00/04/428440004.db2.gz JUIGTCAZRWEQRQ-OAGGEKHMSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360790844 428440010 /nfs/dbraw/zinc/44/00/10/428440010.db2.gz JUIGTCAZRWEQRQ-OAGGEKHMSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360790844 428440017 /nfs/dbraw/zinc/44/00/17/428440017.db2.gz JUIGTCAZRWEQRQ-OAGGEKHMSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360790844 428440024 /nfs/dbraw/zinc/44/00/24/428440024.db2.gz JUIGTCAZRWEQRQ-OAGGEKHMSA-N 2 1 302.466 2.623 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360790844 428440031 /nfs/dbraw/zinc/44/00/31/428440031.db2.gz JUIGTCAZRWEQRQ-OAGGEKHMSA-N 2 1 302.466 2.623 20 0 DFADMP CCC[N@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)C1CC[NH2+]CC1 ZINC000347086931 428440624 /nfs/dbraw/zinc/44/06/24/428440624.db2.gz DEMZTTVSOFYRBW-CQSZACIVSA-N 2 1 318.461 2.983 20 0 DFADMP CCC[N@@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)C1CC[NH2+]CC1 ZINC000347086931 428440630 /nfs/dbraw/zinc/44/06/30/428440630.db2.gz DEMZTTVSOFYRBW-CQSZACIVSA-N 2 1 318.461 2.983 20 0 DFADMP COCc1ccccc1/C=C(\C)C[N@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000353229186 428440690 /nfs/dbraw/zinc/44/06/90/428440690.db2.gz DIUSZRGWKVOYRD-UHQNJDOXSA-N 2 1 300.446 2.730 20 0 DFADMP COCc1ccccc1/C=C(\C)C[N@@H+]1C[C@H]2C[NH+](C)C[C@H]2C1 ZINC000353229186 428440696 /nfs/dbraw/zinc/44/06/96/428440696.db2.gz DIUSZRGWKVOYRD-UHQNJDOXSA-N 2 1 300.446 2.730 20 0 DFADMP COCc1ccccc1/C=C(\C)C[NH+]1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000353229186 428440702 /nfs/dbraw/zinc/44/07/02/428440702.db2.gz DIUSZRGWKVOYRD-UHQNJDOXSA-N 2 1 300.446 2.730 20 0 DFADMP COCc1ccccc1/C=C(\C)C[NH+]1C[C@H]2C[N@H+](C)C[C@H]2C1 ZINC000353229186 428440706 /nfs/dbraw/zinc/44/07/06/428440706.db2.gz DIUSZRGWKVOYRD-UHQNJDOXSA-N 2 1 300.446 2.730 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CC[NH2+][C@H](C)C2)c1OC(F)F ZINC000414952001 428470202 /nfs/dbraw/zinc/47/02/02/428470202.db2.gz QITAXHYGZVYBIZ-ZYHUDNBSSA-N 2 1 300.349 2.527 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000414948534 428470267 /nfs/dbraw/zinc/47/02/67/428470267.db2.gz MFYAXRYWKCDXIQ-HKUYMTLNSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000414948534 428470273 /nfs/dbraw/zinc/47/02/73/428470273.db2.gz MFYAXRYWKCDXIQ-HKUYMTLNSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]32)CC[NH2+]1 ZINC000414948534 428470279 /nfs/dbraw/zinc/47/02/79/428470279.db2.gz MFYAXRYWKCDXIQ-HKUYMTLNSA-N 3 1 313.489 2.627 20 0 DFADMP [NH3+][C@@H](C[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000414883896 428444328 /nfs/dbraw/zinc/44/43/28/428444328.db2.gz DWBZDMXLEFZHTD-AWEZNQCLSA-N 2 1 324.350 2.718 20 0 DFADMP FC(F)Oc1ccccc1C[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000414879605 428444563 /nfs/dbraw/zinc/44/45/63/428444563.db2.gz PEGQPCIEQSBZFQ-UHFFFAOYSA-N 2 1 321.371 2.953 20 0 DFADMP CCOCc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347101534 428445466 /nfs/dbraw/zinc/44/54/66/428445466.db2.gz KVLUCXIQWSVGKG-MRXNPFEDSA-N 2 1 306.450 2.663 20 0 DFADMP CCOCc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347101534 428445471 /nfs/dbraw/zinc/44/54/71/428445471.db2.gz KVLUCXIQWSVGKG-MRXNPFEDSA-N 2 1 306.450 2.663 20 0 DFADMP C[C@H](CC[NH3+])[NH2+]Cc1nc(-c2cccc(Br)c2)c[nH]1 ZINC000414888267 428446152 /nfs/dbraw/zinc/44/61/52/428446152.db2.gz FDNMHTMPFRSZSM-SNVBAGLBSA-N 2 1 323.238 2.666 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)[S@](C)=O ZINC000357238352 428451590 /nfs/dbraw/zinc/45/15/90/428451590.db2.gz PWUZMBMTBAMQOK-IBOUEWTGSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1)[S@](C)=O ZINC000357238352 428451597 /nfs/dbraw/zinc/45/15/97/428451597.db2.gz PWUZMBMTBAMQOK-IBOUEWTGSA-N 2 1 322.518 2.644 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353254463 428451795 /nfs/dbraw/zinc/45/17/95/428451795.db2.gz NXBLRCMGZJDDCR-KVSKMBFKSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@]1(C[NH2+]Cc2c(F)cccc2N2CCCC2)CCC[NH2+]C1 ZINC000414912605 428455325 /nfs/dbraw/zinc/45/53/25/428455325.db2.gz VHXUCGVSJOAOAF-GOSISDBHSA-N 2 1 305.441 2.905 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(SC)cc1OC ZINC000414934123 428463563 /nfs/dbraw/zinc/46/35/63/428463563.db2.gz AFKZIROYGIGTHC-YPMHNXCESA-N 2 1 310.463 2.513 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000386779048 428463690 /nfs/dbraw/zinc/46/36/90/428463690.db2.gz JCAXDUCHBRXUNA-YJBOKZPZSA-N 2 1 304.434 2.538 20 0 DFADMP CC1([NH2+]Cc2cnn(-c3ccc(Cl)cc3)c2)CC[NH2+]CC1 ZINC000414946665 428464726 /nfs/dbraw/zinc/46/47/26/428464726.db2.gz UQUCWYSUOJWXFT-UHFFFAOYSA-N 2 1 304.825 2.757 20 0 DFADMP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414946322 428465051 /nfs/dbraw/zinc/46/50/51/428465051.db2.gz SYKCFXYRCSJOFG-YJBOKZPZSA-N 2 1 310.445 2.937 20 0 DFADMP CN(CC[C@@H]1CCCC[N@@H+]1C)c1cc[nH+]c(N2CCCCC2)n1 ZINC000353279156 428465261 /nfs/dbraw/zinc/46/52/61/428465261.db2.gz YOSBBHUYVRGZPF-INIZCTEOSA-N 2 1 317.481 2.778 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)c1cc[nH+]c(N2CCCCC2)n1 ZINC000353279156 428465268 /nfs/dbraw/zinc/46/52/68/428465268.db2.gz YOSBBHUYVRGZPF-INIZCTEOSA-N 2 1 317.481 2.778 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(N(C)c2ccccc2)nc1 ZINC000414946318 428466305 /nfs/dbraw/zinc/46/63/05/428466305.db2.gz SYKCFXYRCSJOFG-CRAIPNDOSA-N 2 1 310.445 2.937 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347144321 428466720 /nfs/dbraw/zinc/46/67/20/428466720.db2.gz XOKGJXNJWYJMAC-KRWDZBQOSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000347144321 428466727 /nfs/dbraw/zinc/46/67/27/428466727.db2.gz XOKGJXNJWYJMAC-KRWDZBQOSA-N 2 1 311.429 2.702 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC[NH2+]1 ZINC000414948539 428469638 /nfs/dbraw/zinc/46/96/38/428469638.db2.gz MFYAXRYWKCDXIQ-RACLHMPKSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC[NH2+]1 ZINC000414948539 428469644 /nfs/dbraw/zinc/46/96/44/428469644.db2.gz MFYAXRYWKCDXIQ-RACLHMPKSA-N 3 1 313.489 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)CC[NH2+]1 ZINC000414948539 428469647 /nfs/dbraw/zinc/46/96/47/428469647.db2.gz MFYAXRYWKCDXIQ-RACLHMPKSA-N 3 1 313.489 2.627 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccc(OC)cc1 ZINC000414811916 428418454 /nfs/dbraw/zinc/41/84/54/428418454.db2.gz JUFFMVZCWDGYCC-UKRRQHHQSA-N 2 1 307.438 2.519 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000414811591 428419266 /nfs/dbraw/zinc/41/92/66/428419266.db2.gz JPXIFRCBQHSXJT-AEFFLSMTSA-N 2 1 306.450 2.852 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347040378 428420537 /nfs/dbraw/zinc/42/05/37/428420537.db2.gz KKCYRILBFWJVLZ-HUUCEWRRSA-N 2 1 305.441 2.985 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347040378 428420539 /nfs/dbraw/zinc/42/05/39/428420539.db2.gz KKCYRILBFWJVLZ-HUUCEWRRSA-N 2 1 305.441 2.985 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347040374 428421005 /nfs/dbraw/zinc/42/10/05/428421005.db2.gz KKCYRILBFWJVLZ-CABCVRRESA-N 2 1 305.441 2.985 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](Cc2c(F)cccc2N2CCCC2)C1 ZINC000347040374 428421009 /nfs/dbraw/zinc/42/10/09/428421009.db2.gz KKCYRILBFWJVLZ-CABCVRRESA-N 2 1 305.441 2.985 20 0 DFADMP C[N@H+](CCNc1cc[nH+]cc1Br)C1CCCCC1 ZINC000357190330 428426198 /nfs/dbraw/zinc/42/61/98/428426198.db2.gz WMKIGPLRWXCUKE-UHFFFAOYSA-N 2 1 312.255 2.942 20 0 DFADMP C[N@@H+](CCNc1cc[nH+]cc1Br)C1CCCCC1 ZINC000357190330 428426204 /nfs/dbraw/zinc/42/62/04/428426204.db2.gz WMKIGPLRWXCUKE-UHFFFAOYSA-N 2 1 312.255 2.942 20 0 DFADMP C[C@@H](CC(=O)N1CCCCCC1)[NH2+][C@H](C[NH3+])C1CCCCC1 ZINC000414830045 428428139 /nfs/dbraw/zinc/42/81/39/428428139.db2.gz AKGHXUFIBGXUAE-DOTOQJQBSA-N 2 1 309.498 2.665 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCC(C)C ZINC000347056599 428429076 /nfs/dbraw/zinc/42/90/76/428429076.db2.gz VOTXXZCSEVLXJE-GDBMZVCRSA-N 2 1 306.450 2.899 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])[C@H](C)C2)cc1OCC(C)C ZINC000347056599 428429083 /nfs/dbraw/zinc/42/90/83/428429083.db2.gz VOTXXZCSEVLXJE-GDBMZVCRSA-N 2 1 306.450 2.899 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+]CC[C@@H]3CCC[NH2+]C3)CC2)cc1 ZINC000414840229 428430722 /nfs/dbraw/zinc/43/07/22/428430722.db2.gz MURBSBIUHGSUMC-KRWDZBQOSA-N 3 1 301.478 2.630 20 0 DFADMP Clc1ccc(CN2CCC([NH2+]C[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000414851020 428432646 /nfs/dbraw/zinc/43/26/46/428432646.db2.gz STHBWCKLQNIADJ-KRWDZBQOSA-N 2 1 307.869 2.646 20 0 DFADMP C[NH2+][C@@H](C)C[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000414986136 428481279 /nfs/dbraw/zinc/48/12/79/428481279.db2.gz NMIFCBSLBIUIJK-UWVGGRQHSA-N 2 1 303.219 2.717 20 0 DFADMP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000392185009 428481638 /nfs/dbraw/zinc/48/16/38/428481638.db2.gz CNNXKAYETMKWTR-AWEZNQCLSA-N 2 1 311.470 2.531 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000347184770 428485383 /nfs/dbraw/zinc/48/53/83/428485383.db2.gz YOCLRZIUMLKPPU-SFHVURJKSA-N 2 1 312.461 2.590 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2c(C)nn(Cc3ccccc3)c2C)C1 ZINC000347184770 428485389 /nfs/dbraw/zinc/48/53/89/428485389.db2.gz YOCLRZIUMLKPPU-SFHVURJKSA-N 2 1 312.461 2.590 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000347186311 428486737 /nfs/dbraw/zinc/48/67/37/428486737.db2.gz ZYKGFTRZFCBUJO-GOSISDBHSA-N 2 1 312.461 2.719 20 0 DFADMP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)sc2C1 ZINC000415006644 428489020 /nfs/dbraw/zinc/48/90/20/428489020.db2.gz QKOLFPMIDUQSOE-GHMZBOCLSA-N 2 1 315.433 2.602 20 0 DFADMP COc1ccc([C@@H](C)C[NH+]2CCC([N@@H+](C)C[C@@H](C)O)CC2)cc1 ZINC000342919314 428490478 /nfs/dbraw/zinc/49/04/78/428490478.db2.gz UCDJGASLHKXKLE-JKSUJKDBSA-N 2 1 320.477 2.576 20 0 DFADMP CCCOc1cc(C[N@@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347200425 428491280 /nfs/dbraw/zinc/49/12/80/428491280.db2.gz JLYNWJVQGGLNSO-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CCCOc1cc(C[N@H+]2CCC[C@H](C[NH2+]C)C2)ccc1OC ZINC000347200425 428491284 /nfs/dbraw/zinc/49/12/84/428491284.db2.gz JLYNWJVQGGLNSO-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(F)cc2)C[C@H]1C[NH3+] ZINC000415129308 428531239 /nfs/dbraw/zinc/53/12/39/428531239.db2.gz PEKSFAKZPRKCJT-GXTWGEPZSA-N 2 1 302.397 2.633 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415037623 428495413 /nfs/dbraw/zinc/49/54/13/428495413.db2.gz GWIYWSBUUGKYPW-RDTXWAMCSA-N 2 1 304.482 2.509 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCO2)[C@@H](C)C1 ZINC000360932123 428495728 /nfs/dbraw/zinc/49/57/28/428495728.db2.gz YOSUTUSVOIKUKG-MLHJIOFPSA-N 2 1 312.498 2.671 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)cc2)c1 ZINC000415037626 428496683 /nfs/dbraw/zinc/49/66/83/428496683.db2.gz GWOYIIYFQSLYQP-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000360933049 428496756 /nfs/dbraw/zinc/49/67/56/428496756.db2.gz IDNJGWJLJCIGHD-PKOBYXMFSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933049 428496761 /nfs/dbraw/zinc/49/67/61/428496761.db2.gz IDNJGWJLJCIGHD-PKOBYXMFSA-N 2 1 303.494 2.827 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360933049 428496766 /nfs/dbraw/zinc/49/67/66/428496766.db2.gz IDNJGWJLJCIGHD-PKOBYXMFSA-N 2 1 303.494 2.827 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415045958 428497622 /nfs/dbraw/zinc/49/76/22/428497622.db2.gz URSOSPNTVWTUSR-MSOLQXFVSA-N 3 1 303.494 2.862 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415045958 428497623 /nfs/dbraw/zinc/49/76/23/428497623.db2.gz URSOSPNTVWTUSR-MSOLQXFVSA-N 2 1 303.494 2.862 20 0 DFADMP C[C@@H](CCCC(F)(F)F)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415044206 428498130 /nfs/dbraw/zinc/49/81/30/428498130.db2.gz APSNYXUPDDNWNZ-NFOMZHRRSA-N 2 1 321.431 2.914 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415044258 428498498 /nfs/dbraw/zinc/49/84/98/428498498.db2.gz BOHNAUSXCKSNHZ-BLLLJJGKSA-N 2 1 307.413 2.650 20 0 DFADMP COc1cc(C[NH2+][C@@H](C[NH3+])C(C)(C)C)ccc1OC(F)F ZINC000415050074 428499931 /nfs/dbraw/zinc/49/99/31/428499931.db2.gz IGAUEDZCOQYNCE-ZDUSSCGKSA-N 2 1 302.365 2.760 20 0 DFADMP COc1ccc(C[C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1OC ZINC000415052626 428500691 /nfs/dbraw/zinc/50/06/91/428500691.db2.gz ILDKOLOPQGGWQG-HBUWYVDXSA-N 2 1 306.450 2.552 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415053656 428500809 /nfs/dbraw/zinc/50/08/09/428500809.db2.gz OZCYIRZPEAMJJY-MAUKXSAKSA-N 2 1 311.429 2.904 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000361070256 428531406 /nfs/dbraw/zinc/53/14/06/428531406.db2.gz UPGGYLPDUSOYHY-YVWKXTFCSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](C2CC2)C1 ZINC000361070256 428531410 /nfs/dbraw/zinc/53/14/10/428531410.db2.gz UPGGYLPDUSOYHY-YVWKXTFCSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000361070256 428531417 /nfs/dbraw/zinc/53/14/17/428531417.db2.gz UPGGYLPDUSOYHY-YVWKXTFCSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[N@H+](C2CC2)C1 ZINC000361070256 428531419 /nfs/dbraw/zinc/53/14/19/428531419.db2.gz UPGGYLPDUSOYHY-YVWKXTFCSA-N 2 1 313.489 2.723 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1 ZINC000415056097 428502444 /nfs/dbraw/zinc/50/24/44/428502444.db2.gz PRDSPTKPVSZGJM-FZKQIMNGSA-N 2 1 314.433 2.502 20 0 DFADMP COc1ccc(OC)c(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056150 428504508 /nfs/dbraw/zinc/50/45/08/428504508.db2.gz ROGQKYCLRYDQKH-YOEHRIQHSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(OC)c(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415056150 428504515 /nfs/dbraw/zinc/50/45/15/428504515.db2.gz ROGQKYCLRYDQKH-YOEHRIQHSA-N 2 1 304.434 2.668 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057361 428504822 /nfs/dbraw/zinc/50/48/22/428504822.db2.gz UADRGOHIBBPERQ-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415057361 428504826 /nfs/dbraw/zinc/50/48/26/428504826.db2.gz UADRGOHIBBPERQ-MJGOQNOKSA-N 2 1 310.445 2.836 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+](Cc2ccccc2OCC(F)(F)F)C1 ZINC000347234651 428505000 /nfs/dbraw/zinc/50/50/00/428505000.db2.gz ZUCUTBLGOXJRQB-LBPRGKRZSA-N 2 1 302.340 2.798 20 0 DFADMP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360952021 428506077 /nfs/dbraw/zinc/50/60/77/428506077.db2.gz VKISCZPIDIBJSF-GFCCVEGCSA-N 2 1 300.397 2.568 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360952021 428506079 /nfs/dbraw/zinc/50/60/79/428506079.db2.gz VKISCZPIDIBJSF-GFCCVEGCSA-N 2 1 300.397 2.568 20 0 DFADMP C[N@@H+](Cc1ccc(-c2ccc(Cl)cc2)s1)C[C@@H](O)C[NH3+] ZINC000415062889 428506602 /nfs/dbraw/zinc/50/66/02/428506602.db2.gz ZOTVCBVOUUQLMF-ZDUSSCGKSA-N 2 1 310.850 2.820 20 0 DFADMP C[N@H+](Cc1ccc(-c2ccc(Cl)cc2)s1)C[C@@H](O)C[NH3+] ZINC000415062889 428506607 /nfs/dbraw/zinc/50/66/07/428506607.db2.gz ZOTVCBVOUUQLMF-ZDUSSCGKSA-N 2 1 310.850 2.820 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(OC)c1OC ZINC000397243855 428507257 /nfs/dbraw/zinc/50/72/57/428507257.db2.gz AVAKBRKRZUZCAJ-YDHLFZDLSA-N 2 1 322.449 2.518 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@@H](C)C[C@@H]2C)c(OC)c1OC ZINC000397243855 428507260 /nfs/dbraw/zinc/50/72/60/428507260.db2.gz AVAKBRKRZUZCAJ-YDHLFZDLSA-N 2 1 322.449 2.518 20 0 DFADMP CC1CC[NH+](CCC[NH2+]Cc2cn(C)nc2C(F)F)CC1 ZINC000360956672 428507853 /nfs/dbraw/zinc/50/78/53/428507853.db2.gz VQCYYGVQBIQLJX-UHFFFAOYSA-N 2 1 300.397 2.569 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(Oc3cnccn3)cc2)C[C@@H]1C[NH3+] ZINC000415128901 428531694 /nfs/dbraw/zinc/53/16/94/428531694.db2.gz OQUHVEVEYUDIKL-HOCLYGCPSA-N 2 1 312.417 2.686 20 0 DFADMP Brc1ccc([C@@H]2CCC[N@H+]2CC2CC[NH2+]CC2)nc1 ZINC000415091145 428515125 /nfs/dbraw/zinc/51/51/25/428515125.db2.gz BTCLTFLECBJRIO-HNNXBMFYSA-N 2 1 324.266 2.981 20 0 DFADMP C[C@@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccnc(OCC(F)(F)F)c1 ZINC000415088019 428515390 /nfs/dbraw/zinc/51/53/90/428515390.db2.gz WWBROHYTDCJPQQ-WCQYABFASA-N 2 1 317.355 2.643 20 0 DFADMP COCc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)ccc1F ZINC000353386187 428515477 /nfs/dbraw/zinc/51/54/77/428515477.db2.gz LPVFAOHKCFETMI-CGTJXYLNSA-N 2 1 306.425 2.935 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CCO[C@H]1CCCCO1)CC2)C1CC1 ZINC000373118329 428517426 /nfs/dbraw/zinc/51/74/26/428517426.db2.gz QFGURDSYMZFUPI-AEFFLSMTSA-N 2 1 322.493 2.726 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@@H+]1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000415100792 428517727 /nfs/dbraw/zinc/51/77/27/428517727.db2.gz ALCJSAKGDVJFFN-WMLDXEAASA-N 2 1 312.461 2.906 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(F)cc1Br)[C@@H]1CC[NH2+]C1 ZINC000415100426 428518518 /nfs/dbraw/zinc/51/85/18/428518518.db2.gz GPUSGOFWEPKLKC-NXEZZACHSA-N 2 1 301.203 2.676 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000353393389 428518880 /nfs/dbraw/zinc/51/88/80/428518880.db2.gz JUHWCXRLAUMYTN-FHWLQOOXSA-N 2 1 310.445 2.835 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(-c3ccccc3)n2)[C@@H]2CCC[C@@H]21 ZINC000353393389 428518886 /nfs/dbraw/zinc/51/88/86/428518886.db2.gz JUHWCXRLAUMYTN-FHWLQOOXSA-N 2 1 310.445 2.835 20 0 DFADMP COc1cccc(C[NH2+]C2CC[NH2+]CC2)c1OC1CCCC1 ZINC000415094419 428519527 /nfs/dbraw/zinc/51/95/27/428519527.db2.gz XFSHAYIEFOEJDS-UHFFFAOYSA-N 2 1 304.434 2.858 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000415100918 428519660 /nfs/dbraw/zinc/51/96/60/428519660.db2.gz AUJOYUJRZUCUGT-ZFWWWQNUSA-N 2 1 314.433 2.502 20 0 DFADMP CC(C)C[C@H]([NH3+])C[NH2+]CCc1nc(-c2ccccn2)cs1 ZINC000415103633 428522203 /nfs/dbraw/zinc/52/22/03/428522203.db2.gz KRAOJWYYEAGDKZ-ZDUSSCGKSA-N 2 1 304.463 2.711 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC(C)C ZINC000415102000 428522479 /nfs/dbraw/zinc/52/24/79/428522479.db2.gz CANJJVSOIXCION-GOEBONIOSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1C[NH2+]C1CC[NH2+]CC1 ZINC000415114304 428525115 /nfs/dbraw/zinc/52/51/15/428525115.db2.gz FTURYPXRQFSQBT-MRXNPFEDSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC1CC[NH2+]CC1 ZINC000415114304 428525120 /nfs/dbraw/zinc/52/51/20/428525120.db2.gz FTURYPXRQFSQBT-MRXNPFEDSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC1CC[NH2+]CC1 ZINC000415114304 428525122 /nfs/dbraw/zinc/52/51/22/428525122.db2.gz FTURYPXRQFSQBT-MRXNPFEDSA-N 2 1 301.478 2.903 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)CC[NH2+]1 ZINC000414953511 428472209 /nfs/dbraw/zinc/47/22/09/428472209.db2.gz RSWVWWSCKKFANO-WCQYABFASA-N 2 1 310.825 2.731 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCC[NH2+][C@H]2C)c(C)c1 ZINC000414963141 428474622 /nfs/dbraw/zinc/47/46/22/428474622.db2.gz XLDGJWYHQBTWCG-YQQAZPJKSA-N 2 1 303.450 2.751 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000390398799 428475013 /nfs/dbraw/zinc/47/50/13/428475013.db2.gz SMXRZFCFAUOUTQ-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000390398799 428475020 /nfs/dbraw/zinc/47/50/20/428475020.db2.gz SMXRZFCFAUOUTQ-DLBZAZTESA-N 2 1 318.461 2.928 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@H]2CC[NH2+][C@H](C)C2)c1 ZINC000414961874 428475867 /nfs/dbraw/zinc/47/58/67/428475867.db2.gz ZGMOQGCMAVIGKZ-PWSUYJOCSA-N 2 1 300.349 2.527 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414966558 428475931 /nfs/dbraw/zinc/47/59/31/428475931.db2.gz GSLVSVZPDOHYAA-CQSZACIVSA-N 2 1 310.825 2.589 20 0 DFADMP CC1CC[NH+](CCN(C)CCC[N@@H+](C)Cc2ccco2)CC1 ZINC000353554187 428589398 /nfs/dbraw/zinc/58/93/98/428589398.db2.gz IKIRPNFIUISZKR-UHFFFAOYSA-N 2 1 307.482 2.765 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000358256917 428590757 /nfs/dbraw/zinc/59/07/57/428590757.db2.gz RNSSYLQJRPZGQW-MAUKXSAKSA-N 2 1 316.470 2.935 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H]2CCCc3c4ccccc4sc32)C1 ZINC000358256917 428590762 /nfs/dbraw/zinc/59/07/62/428590762.db2.gz RNSSYLQJRPZGQW-MAUKXSAKSA-N 2 1 316.470 2.935 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C2CC2)C1 ZINC000361070254 428532742 /nfs/dbraw/zinc/53/27/42/428532742.db2.gz UPGGYLPDUSOYHY-KPFFTGBYSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C2CC2)C1 ZINC000361070254 428532747 /nfs/dbraw/zinc/53/27/47/428532747.db2.gz UPGGYLPDUSOYHY-KPFFTGBYSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000361070254 428532754 /nfs/dbraw/zinc/53/27/54/428532754.db2.gz UPGGYLPDUSOYHY-KPFFTGBYSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[N@H+](C2CC2)C1 ZINC000361070254 428532758 /nfs/dbraw/zinc/53/27/58/428532758.db2.gz UPGGYLPDUSOYHY-KPFFTGBYSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)C[NH2+]1 ZINC000399060378 428535795 /nfs/dbraw/zinc/53/57/95/428535795.db2.gz LKNDLILOMVFGQQ-JFRXWTBNSA-N 2 1 301.478 2.770 20 0 DFADMP Fc1c(Cl)cccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415146957 428537332 /nfs/dbraw/zinc/53/73/32/428537332.db2.gz ZUBDCHCWJZSJQL-HIFRSBDPSA-N 2 1 324.827 2.680 20 0 DFADMP COCCSCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000373292752 428539456 /nfs/dbraw/zinc/53/94/56/428539456.db2.gz KQHVRGKWNSWMRF-MRXNPFEDSA-N 2 1 300.512 2.564 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000399492395 428540086 /nfs/dbraw/zinc/54/00/86/428540086.db2.gz AXJDBYNNBMUAEM-DOTOQJQBSA-N 2 1 311.514 2.576 20 0 DFADMP c1ccc(C[N@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCCSC2)cc1 ZINC000399610991 428540164 /nfs/dbraw/zinc/54/01/64/428540164.db2.gz HIHQFVRHSXGPOV-KTGAGVNESA-N 2 1 302.487 2.992 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3C[C@@H](C2)C3[NH2+][C@H]2CCCSC2)cc1 ZINC000399610991 428540168 /nfs/dbraw/zinc/54/01/68/428540168.db2.gz HIHQFVRHSXGPOV-KTGAGVNESA-N 2 1 302.487 2.992 20 0 DFADMP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000400349925 428542593 /nfs/dbraw/zinc/54/25/93/428542593.db2.gz MDZJGNRLVGRMSP-VNVJMFPYSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000353452036 428542861 /nfs/dbraw/zinc/54/28/61/428542861.db2.gz WAMAHOIKLOUCNR-BRWVUGGUSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)[C@H](C[N@@H+](C)Cc1ccccc1)N[C@@H](C)[C@H]1CCC[NH2+]1 ZINC000400454638 428546079 /nfs/dbraw/zinc/54/60/79/428546079.db2.gz RZRALHZIDPUAQX-UHOSZYNNSA-N 2 1 303.494 2.873 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757510 428548439 /nfs/dbraw/zinc/54/84/39/428548439.db2.gz XKNSUWLPXPQQIJ-PBWTXFEYSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757510 428548443 /nfs/dbraw/zinc/54/84/43/428548443.db2.gz XKNSUWLPXPQQIJ-PBWTXFEYSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757510 428548446 /nfs/dbraw/zinc/54/84/46/428548446.db2.gz XKNSUWLPXPQQIJ-PBWTXFEYSA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)[C@H]1CC[NH2+]C1 ZINC000400757510 428548448 /nfs/dbraw/zinc/54/84/48/428548448.db2.gz XKNSUWLPXPQQIJ-PBWTXFEYSA-N 3 1 301.478 2.627 20 0 DFADMP C[C@@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000400758909 428548704 /nfs/dbraw/zinc/54/87/04/428548704.db2.gz XRYILYJTMLCWTA-OGWHTMIXSA-N 2 1 301.478 2.627 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ncc[nH]3)CC2)cs1 ZINC000373342616 428551234 /nfs/dbraw/zinc/55/12/34/428551234.db2.gz AYHUJKBIYSXPGL-LBPRGKRZSA-N 2 1 319.478 2.737 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347344772 428557377 /nfs/dbraw/zinc/55/73/77/428557377.db2.gz SFCXXGCSHIVOKJ-JKSUJKDBSA-N 2 1 317.458 2.692 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](Cc1cccs1)[C@@H]1C=C[C@H](CO)C1 ZINC000347344772 428557380 /nfs/dbraw/zinc/55/73/80/428557380.db2.gz SFCXXGCSHIVOKJ-JKSUJKDBSA-N 2 1 317.458 2.692 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361365109 428561020 /nfs/dbraw/zinc/56/10/20/428561020.db2.gz ILBFNTCQHZLOFN-SCTDSRPQSA-N 2 1 320.477 2.681 20 0 DFADMP COCCOC[C@H](C)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000361365109 428561025 /nfs/dbraw/zinc/56/10/25/428561025.db2.gz ILBFNTCQHZLOFN-SCTDSRPQSA-N 2 1 320.477 2.681 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000402798253 428561310 /nfs/dbraw/zinc/56/13/10/428561310.db2.gz ODHRTCSSYCHMLD-OXJNMPFZSA-N 2 1 324.472 2.828 20 0 DFADMP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+]1CCCC[C@@H]1C ZINC000357774836 428563306 /nfs/dbraw/zinc/56/33/06/428563306.db2.gz ZNGLYXQOMDMWHX-GVDBMIGSSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1CCCCCC1 ZINC000357812975 428564838 /nfs/dbraw/zinc/56/48/38/428564838.db2.gz VEBSDJSVIWGFGW-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H]1[C@H](C)[N@@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CCCC[NH3+] ZINC000404314479 428566012 /nfs/dbraw/zinc/56/60/12/428566012.db2.gz NIDKIBFBUZFMOJ-YESZJQIVSA-N 2 1 317.477 2.625 20 0 DFADMP CC(C)[NH+](C/C=C/C[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000361409248 428566090 /nfs/dbraw/zinc/56/60/90/428566090.db2.gz UIQMLPWCKRSOLS-FBLDJFESSA-N 2 1 310.482 2.541 20 0 DFADMP CC(C)[NH+](C/C=C/C[N@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409248 428566094 /nfs/dbraw/zinc/56/60/94/428566094.db2.gz UIQMLPWCKRSOLS-FBLDJFESSA-N 2 1 310.482 2.541 20 0 DFADMP CC(C)[NH+](C/C=C/C[N@@H+](C(C)C)[C@@H]1CCOC1)[C@H]1CCOC1 ZINC000361409248 428566096 /nfs/dbraw/zinc/56/60/96/428566096.db2.gz UIQMLPWCKRSOLS-FBLDJFESSA-N 2 1 310.482 2.541 20 0 DFADMP CC(C)CC[C@@H]([NH2+]CCC(=O)N1CC[NH+](C)CC1)c1ccoc1 ZINC000353502845 428567822 /nfs/dbraw/zinc/56/78/22/428567822.db2.gz MCXDQQFEEFSTFZ-QGZVFWFLSA-N 2 1 321.465 2.511 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)NC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000353501362 428568728 /nfs/dbraw/zinc/56/87/28/428568728.db2.gz MOQYKKQJGKLAGK-SJLPKXTDSA-N 2 1 319.493 2.790 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361460592 428570449 /nfs/dbraw/zinc/57/04/49/428570449.db2.gz ZWTNJIYPFSFPEV-FDBUDWNGSA-N 2 1 302.462 2.956 20 0 DFADMP C/C=C\C[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361460592 428570455 /nfs/dbraw/zinc/57/04/55/428570455.db2.gz ZWTNJIYPFSFPEV-FDBUDWNGSA-N 2 1 302.462 2.956 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H](C)[C@@H]2CC[NH3+])cc(OC)c1OC ZINC000404453842 428571563 /nfs/dbraw/zinc/57/15/63/428571563.db2.gz ZZHFAHSFIPWKDR-ZFWWWQNUSA-N 2 1 322.449 2.662 20 0 DFADMP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C)CC2 ZINC000358020980 428576821 /nfs/dbraw/zinc/57/68/21/428576821.db2.gz SNJKFADDLCNPPB-JHNDHUHGSA-N 2 1 304.482 2.640 20 0 DFADMP COCCC(C)(C)C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000373528793 428597810 /nfs/dbraw/zinc/59/78/10/428597810.db2.gz JSZMJGXXXTWURL-BRWVUGGUSA-N 2 1 312.498 2.528 20 0 DFADMP c1cc(CCC[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000373603313 428618746 /nfs/dbraw/zinc/61/87/46/428618746.db2.gz IUVMYYYWWNXFRJ-ZWKOTPCHSA-N 2 1 300.446 2.771 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1ccccc1C[NH2+]C ZINC000415907064 428621767 /nfs/dbraw/zinc/62/17/67/428621767.db2.gz ZNTVYPLPXCSGGX-AWEZNQCLSA-N 2 1 306.454 2.648 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C ZINC000415952859 428634571 /nfs/dbraw/zinc/63/45/71/428634571.db2.gz KNGKBODDJGARQY-YOEHRIQHSA-N 2 1 318.465 2.646 20 0 DFADMP Cc1cc(NC(=O)N2CCC[N@H+](C3CCCC3)CC2)c(C)cn1 ZINC000362107103 428624071 /nfs/dbraw/zinc/62/40/71/428624071.db2.gz TVSJHBLQTONYKS-UHFFFAOYSA-N 2 1 316.449 2.603 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NCC[N@@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000415915292 428625453 /nfs/dbraw/zinc/62/54/53/428625453.db2.gz DRJODGVINTUQKS-GASCZTMLSA-N 2 1 318.465 2.790 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccccc2-n2cccn2)[C@H]2CCC[C@@H]21 ZINC000353622604 428625744 /nfs/dbraw/zinc/62/57/44/428625744.db2.gz OLUSSWDDFOWAGK-AOIWGVFYSA-N 2 1 310.445 2.835 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N2CC[N@@H+](C)C[C@H]2C(C)C)c1 ZINC000415927439 428627772 /nfs/dbraw/zinc/62/77/72/428627772.db2.gz CZMZIVFUIXWRGC-KRWDZBQOSA-N 2 1 318.465 2.600 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2nc[nH]c2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353623176 428628125 /nfs/dbraw/zinc/62/81/25/428628125.db2.gz ODPVZIIVHPPAAA-RYQLBKOJSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000353623176 428628133 /nfs/dbraw/zinc/62/81/33/428628133.db2.gz ODPVZIIVHPPAAA-RYQLBKOJSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH]cnc2C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000353623176 428628140 /nfs/dbraw/zinc/62/81/40/428628140.db2.gz ODPVZIIVHPPAAA-RYQLBKOJSA-N 2 1 324.472 2.767 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)N[C@H](C)C[N@@H+](C)C(C)C)c1 ZINC000415929332 428628995 /nfs/dbraw/zinc/62/89/95/428628995.db2.gz GTZTUVFKKBBGQM-CQSZACIVSA-N 2 1 306.454 2.646 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@]2(C)C[C@H]2c2ccccc2)CC1 ZINC000340439208 274025532 /nfs/dbraw/zinc/02/55/32/274025532.db2.gz HZHNGHJGELCIDC-OALUTQOASA-N 2 1 302.462 2.881 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2ccc(C[NH2+]C)cc2)C[C@@H]1C ZINC000415971765 428637035 /nfs/dbraw/zinc/63/70/35/428637035.db2.gz KQANMKNJRKXIJT-YOEHRIQHSA-N 2 1 318.465 2.743 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@H]2CCC[NH2+][C@@H]2C1 ZINC000353673979 428653073 /nfs/dbraw/zinc/65/30/73/428653073.db2.gz QMMCEJWYGXXZIL-RBUKOAKNSA-N 2 1 315.505 2.828 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184363 428653215 /nfs/dbraw/zinc/65/32/15/428653215.db2.gz IGTGUKRAZQTNOG-MAUKXSAKSA-N 2 1 302.462 2.969 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184363 428653219 /nfs/dbraw/zinc/65/32/19/428653219.db2.gz IGTGUKRAZQTNOG-MAUKXSAKSA-N 2 1 302.462 2.969 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)C[C@@H]1C ZINC000362184363 428653223 /nfs/dbraw/zinc/65/32/23/428653223.db2.gz IGTGUKRAZQTNOG-MAUKXSAKSA-N 2 1 302.462 2.969 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccc(F)cc2)C1 ZINC000247225059 274339921 /nfs/dbraw/zinc/33/99/21/274339921.db2.gz XXQGVPXXOMALPM-NNFUDEMPSA-N 2 1 319.468 2.970 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000358776380 428669819 /nfs/dbraw/zinc/66/98/19/428669819.db2.gz PZLHKIBEEOREOH-LZQZEXGQSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c[nH]nc3C2)CC[N@H+]1Cc1ccccc1 ZINC000358776380 428669824 /nfs/dbraw/zinc/66/98/24/428669824.db2.gz PZLHKIBEEOREOH-LZQZEXGQSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[NH+](C)CC1 ZINC000271865933 274354496 /nfs/dbraw/zinc/35/44/96/274354496.db2.gz LLEQZWALNBWPFF-XLIONFOSSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271865933 274354497 /nfs/dbraw/zinc/35/44/97/274354497.db2.gz LLEQZWALNBWPFF-XLIONFOSSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271865933 274354498 /nfs/dbraw/zinc/35/44/98/274354498.db2.gz LLEQZWALNBWPFF-XLIONFOSSA-N 3 1 313.489 2.749 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[N@H+](C)CC1 ZINC000271865933 274354499 /nfs/dbraw/zinc/35/44/99/274354499.db2.gz LLEQZWALNBWPFF-XLIONFOSSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1=CC[N@@H+](C)CC1 ZINC000271865933 274354500 /nfs/dbraw/zinc/35/45/00/274354500.db2.gz LLEQZWALNBWPFF-XLIONFOSSA-N 2 1 313.489 2.749 20 0 DFADMP Clc1ccc(CC[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000362305070 428696478 /nfs/dbraw/zinc/69/64/78/428696478.db2.gz KRHPPNXHFZWMGJ-MRXNPFEDSA-N 2 1 308.853 2.537 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000353753637 428696698 /nfs/dbraw/zinc/69/66/98/428696698.db2.gz MCTLREPFHZMMQJ-NXHRZFHOSA-N 2 1 317.477 2.531 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000374564670 428699700 /nfs/dbraw/zinc/69/97/00/428699700.db2.gz WFJYNUNHNFBENB-JCGIZDLHSA-N 2 1 306.425 2.584 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C)C1 ZINC000374564670 428699704 /nfs/dbraw/zinc/69/97/04/428699704.db2.gz WFJYNUNHNFBENB-JCGIZDLHSA-N 2 1 306.425 2.584 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000348310519 428701891 /nfs/dbraw/zinc/70/18/91/428701891.db2.gz CFHVHNVWGKWJAL-JEBQAFNWSA-N 2 1 305.441 2.501 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1N[C@H](C[NH+](C)C)c1ccc(F)cc1 ZINC000348310519 428701897 /nfs/dbraw/zinc/70/18/97/428701897.db2.gz CFHVHNVWGKWJAL-JEBQAFNWSA-N 2 1 305.441 2.501 20 0 DFADMP CC(C)=CC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358852772 428705213 /nfs/dbraw/zinc/70/52/13/428705213.db2.gz LSKWGTVYOSBEJJ-CALCHBBNSA-N 2 1 310.482 2.543 20 0 DFADMP CC(C)=CC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358852772 428705217 /nfs/dbraw/zinc/70/52/17/428705217.db2.gz LSKWGTVYOSBEJJ-CALCHBBNSA-N 2 1 310.482 2.543 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CCc2cnn(C)c2)CC1)CC1CC1 ZINC000348319958 428705198 /nfs/dbraw/zinc/70/51/98/428705198.db2.gz PPKYUIUCOIDSME-UHFFFAOYSA-N 2 1 318.509 2.797 20 0 DFADMP CCCCC[NH+]1CCC(OCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358873494 428713455 /nfs/dbraw/zinc/71/34/55/428713455.db2.gz OKWQBUATOYDNKY-CALCHBBNSA-N 2 1 312.498 2.767 20 0 DFADMP CCCCC[NH+]1CCC(OCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000358873494 428713458 /nfs/dbraw/zinc/71/34/58/428713458.db2.gz OKWQBUATOYDNKY-CALCHBBNSA-N 2 1 312.498 2.767 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000348374809 428723298 /nfs/dbraw/zinc/72/32/98/428723298.db2.gz ACQFYUFBGSHKMM-RRFJBIMHSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(C[S@](C)=O)cc2)[C@@H]2CCC[C@H]21 ZINC000353806044 428726049 /nfs/dbraw/zinc/72/60/49/428726049.db2.gz PFYZJBQVVJLGED-AYMMHLMVSA-N 2 1 320.502 2.528 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)C(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416171677 428681521 /nfs/dbraw/zinc/68/15/21/428681521.db2.gz RMRFXNSUNXOAKW-MSOLQXFVSA-N 2 1 317.477 2.622 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+]C[C@@H]1C[C@H]1c1ccccc1 ZINC000348263571 428685092 /nfs/dbraw/zinc/68/50/92/428685092.db2.gz LSARHOULRKMHSQ-FHWLQOOXSA-N 2 1 302.462 2.617 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416188340 428686834 /nfs/dbraw/zinc/68/68/34/428686834.db2.gz GYKWCVAPISKYBN-KBAYOESNSA-N 2 1 317.477 2.524 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275498 428690472 /nfs/dbraw/zinc/69/04/72/428690472.db2.gz CIPGQIGWLHFEFE-CRAIPNDOSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1CN[C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275498 428690474 /nfs/dbraw/zinc/69/04/74/428690474.db2.gz CIPGQIGWLHFEFE-CRAIPNDOSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275498 428690480 /nfs/dbraw/zinc/69/04/80/428690480.db2.gz CIPGQIGWLHFEFE-CRAIPNDOSA-N 2 1 313.449 2.792 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(-n2ccnn2)c1 ZINC000348275498 428690485 /nfs/dbraw/zinc/69/04/85/428690485.db2.gz CIPGQIGWLHFEFE-CRAIPNDOSA-N 2 1 313.449 2.792 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1OC ZINC000344691573 428693001 /nfs/dbraw/zinc/69/30/01/428693001.db2.gz ZCVBNEXUPUJPEI-UKRRQHHQSA-N 2 1 322.449 2.675 20 0 DFADMP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1OC ZINC000344691573 428693003 /nfs/dbraw/zinc/69/30/03/428693003.db2.gz ZCVBNEXUPUJPEI-UKRRQHHQSA-N 2 1 322.449 2.675 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749363 428694012 /nfs/dbraw/zinc/69/40/12/428694012.db2.gz FUWMLXKNFUNXAN-HOCLYGCPSA-N 2 1 300.450 2.805 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749363 428694014 /nfs/dbraw/zinc/69/40/14/428694014.db2.gz FUWMLXKNFUNXAN-HOCLYGCPSA-N 2 1 300.450 2.805 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749363 428694020 /nfs/dbraw/zinc/69/40/20/428694020.db2.gz FUWMLXKNFUNXAN-HOCLYGCPSA-N 2 1 300.450 2.805 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749363 428694023 /nfs/dbraw/zinc/69/40/23/428694023.db2.gz FUWMLXKNFUNXAN-HOCLYGCPSA-N 2 1 300.450 2.805 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2c(C)nc3ccccn32)[C@@H](C)C1 ZINC000353749363 428694026 /nfs/dbraw/zinc/69/40/26/428694026.db2.gz FUWMLXKNFUNXAN-HOCLYGCPSA-N 2 1 300.450 2.805 20 0 DFADMP CSCC[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000374834461 428760384 /nfs/dbraw/zinc/76/03/84/428760384.db2.gz TZXUCCGQBOJCJM-CYBMUJFWSA-N 2 1 311.520 2.792 20 0 DFADMP CSCC[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000374834461 428760389 /nfs/dbraw/zinc/76/03/89/428760389.db2.gz TZXUCCGQBOJCJM-CYBMUJFWSA-N 2 1 311.520 2.792 20 0 DFADMP C[N@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCCCCO)CC2 ZINC000374843546 428763883 /nfs/dbraw/zinc/76/38/83/428763883.db2.gz IQPBHPOHRZJCBC-HNNXBMFYSA-N 2 1 323.506 2.592 20 0 DFADMP C[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH+](CCCCCO)CC2 ZINC000374843546 428763886 /nfs/dbraw/zinc/76/38/86/428763886.db2.gz IQPBHPOHRZJCBC-HNNXBMFYSA-N 2 1 323.506 2.592 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411248990 428764383 /nfs/dbraw/zinc/76/43/83/428764383.db2.gz YGTMSWGQBPETKZ-ZOCIIQOWSA-N 2 1 320.452 2.706 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000374853681 428764771 /nfs/dbraw/zinc/76/47/71/428764771.db2.gz GNMKVSJNVDIXSS-INIZCTEOSA-N 2 1 311.495 2.774 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@H](OCc2csc(C)n2)C1 ZINC000374853681 428764775 /nfs/dbraw/zinc/76/47/75/428764775.db2.gz GNMKVSJNVDIXSS-INIZCTEOSA-N 2 1 311.495 2.774 20 0 DFADMP CCCNC(=O)CCC[N@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000411231595 428765484 /nfs/dbraw/zinc/76/54/84/428765484.db2.gz YIVBXRYSNJGXQR-GOSISDBHSA-N 2 1 323.525 2.881 20 0 DFADMP CO[C@H]1CCC[NH+](CCC(C)CC[N@@H+]2CCC[C@H](OC)C2)C1 ZINC000411232865 428765779 /nfs/dbraw/zinc/76/57/79/428765779.db2.gz UGAAYBXZWGARPA-ROUUACIJSA-N 2 1 312.498 2.624 20 0 DFADMP CC(C)SCC[N@@H+](C)C[C@@H]1CCCN(C)[C@H]1c1cnn(C)c1 ZINC000374864388 428767003 /nfs/dbraw/zinc/76/70/03/428767003.db2.gz RSNUPWHZQHJJJW-DOTOQJQBSA-N 2 1 324.538 2.876 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCc3cncs3)C2)[nH+]1 ZINC000411281292 428769599 /nfs/dbraw/zinc/76/95/99/428769599.db2.gz AFQVGHJDAXUNIV-CQSZACIVSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCc3cncs3)C2)[nH+]1 ZINC000411281292 428769603 /nfs/dbraw/zinc/76/96/03/428769603.db2.gz AFQVGHJDAXUNIV-CQSZACIVSA-N 2 1 302.447 2.823 20 0 DFADMP C[C@H](C[N@@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374878163 428774908 /nfs/dbraw/zinc/77/49/08/428774908.db2.gz QNFZGUHIKIBWQW-QUCCMNQESA-N 2 1 315.505 2.892 20 0 DFADMP C[C@H](C[N@H+]1CCCC[C@H](N2CC[NH+](C)CC2)C1)c1ccccc1 ZINC000374878163 428774914 /nfs/dbraw/zinc/77/49/14/428774914.db2.gz QNFZGUHIKIBWQW-QUCCMNQESA-N 2 1 315.505 2.892 20 0 DFADMP Cc1ccc(F)cc1CN1CCCN(Cc2nccn2C)CC1 ZINC000374894122 428776264 /nfs/dbraw/zinc/77/62/64/428776264.db2.gz KOHYHLITAHFHBJ-UHFFFAOYSA-N 2 1 316.424 2.576 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374889808 428777911 /nfs/dbraw/zinc/77/79/11/428777911.db2.gz CVTWOGCOWPPYDC-FGTMMUONSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1ccc(F)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374889808 428777918 /nfs/dbraw/zinc/77/79/18/428777918.db2.gz CVTWOGCOWPPYDC-FGTMMUONSA-N 2 1 306.425 2.818 20 0 DFADMP CC(C)SCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000374906858 428781454 /nfs/dbraw/zinc/78/14/54/428781454.db2.gz CODANBJQBMIZQB-ARFHVFGLSA-N 2 1 300.512 2.607 20 0 DFADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)cc(Cl)c1OC ZINC000345182878 428788210 /nfs/dbraw/zinc/78/82/10/428788210.db2.gz HQWACCZHHPPTRB-UHFFFAOYSA-N 2 1 310.825 2.709 20 0 DFADMP C[C@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+]1Cc1ccccc1 ZINC000411117641 428742146 /nfs/dbraw/zinc/74/21/46/428742146.db2.gz LXCNHDSDEFIUQB-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000411117641 428742150 /nfs/dbraw/zinc/74/21/50/428742150.db2.gz LXCNHDSDEFIUQB-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000411117641 428742155 /nfs/dbraw/zinc/74/21/55/428742155.db2.gz LXCNHDSDEFIUQB-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCCCOC)cc2)[C@H](C)C1 ZINC000353851800 428747167 /nfs/dbraw/zinc/74/71/67/428747167.db2.gz ANJJFNNUFSXSDK-APWZRJJASA-N 2 1 320.477 2.922 20 0 DFADMP NC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411150980 428749049 /nfs/dbraw/zinc/74/90/49/428749049.db2.gz ADVCXJXSGZFVOV-GOSISDBHSA-N 2 1 315.461 2.512 20 0 DFADMP NC(=O)[C@H]1CCCC[N@H+]1Cc1cccc(C[NH+]2CCCCC2)c1 ZINC000411150980 428749055 /nfs/dbraw/zinc/74/90/55/428749055.db2.gz ADVCXJXSGZFVOV-GOSISDBHSA-N 2 1 315.461 2.512 20 0 DFADMP COC(=O)[C@@H](C)C[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411172754 428752140 /nfs/dbraw/zinc/75/21/40/428752140.db2.gz MWIJXDHPRDLLFI-INIZCTEOSA-N 2 1 318.461 2.913 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1ccc(F)nc1)CC2)C1CC1 ZINC000375298137 428845397 /nfs/dbraw/zinc/84/53/97/428845397.db2.gz SKILRXWGLSHGGC-OAHLLOKOSA-N 2 1 303.425 2.917 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C(C)C ZINC000354065900 428845998 /nfs/dbraw/zinc/84/59/98/428845998.db2.gz SRIUOTNCBUVVRY-KBAYOESNSA-N 2 1 323.525 2.780 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cnc(-c3ccncc3)s2)C1 ZINC000354078449 428850716 /nfs/dbraw/zinc/85/07/16/428850716.db2.gz RUXQOZIILCQUKZ-AWEZNQCLSA-N 2 1 316.474 2.979 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)CC[NH+](C)C)cc1 ZINC000353959781 428794638 /nfs/dbraw/zinc/79/46/38/428794638.db2.gz LMFFYGBOHTVZBJ-MRXNPFEDSA-N 2 1 319.493 2.989 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1O ZINC000411456177 428799362 /nfs/dbraw/zinc/79/93/62/428799362.db2.gz YWZMTACGGRYDPS-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H](C2CC2)[NH+](C)C)CC[N@H+]1Cc1ccccc1 ZINC000359113296 428822556 /nfs/dbraw/zinc/82/25/56/428822556.db2.gz IKIIHHXBDIHNCR-UXPWSPDFSA-N 2 1 315.505 2.969 20 0 DFADMP CO[C@@H]1C[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C[C@@H]1OC ZINC000411628618 428828381 /nfs/dbraw/zinc/82/83/81/428828381.db2.gz WMBRIJLQKMKZQU-KDURUIRLSA-N 2 1 318.461 2.518 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccccc1CC[NH+](C)C ZINC000354191846 428907008 /nfs/dbraw/zinc/90/70/08/428907008.db2.gz RCRYRYFPJORKBD-QGZVFWFLSA-N 2 1 303.450 2.604 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc(F)c2F)C1 ZINC000354088126 428856551 /nfs/dbraw/zinc/85/65/51/428856551.db2.gz LAQUQDXNVNJQMI-OAHLLOKOSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cccc(F)c2F)C1 ZINC000354088126 428856557 /nfs/dbraw/zinc/85/65/57/428856557.db2.gz LAQUQDXNVNJQMI-OAHLLOKOSA-N 2 1 312.404 2.898 20 0 DFADMP CCc1ccccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000375345075 428859991 /nfs/dbraw/zinc/85/99/91/428859991.db2.gz KVFCSBYMBLBCTF-GUDVDZBRSA-N 2 1 302.462 2.933 20 0 DFADMP CC(C)[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccc(F)cn1 ZINC000354095191 428860971 /nfs/dbraw/zinc/86/09/71/428860971.db2.gz YXNLJOSJYZRIAX-SJLPKXTDSA-N 2 1 323.456 2.744 20 0 DFADMP Cc1cccc2nc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@H]4C3)cn21 ZINC000363118063 428861291 /nfs/dbraw/zinc/86/12/91/428861291.db2.gz QYXWVYWDNIDXSR-NJAFHUGGSA-N 2 1 310.445 2.559 20 0 DFADMP COC[C@@H]([NH2+]CC1([NH+]2CCCCC2)CCOCC1)C1CCCC1 ZINC000375345891 428861667 /nfs/dbraw/zinc/86/16/67/428861667.db2.gz SQVLWSGBZFZHAF-GOSISDBHSA-N 2 1 324.509 2.816 20 0 DFADMP CCOC[C@@H]1CCC[C@@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000354135687 428880531 /nfs/dbraw/zinc/88/05/31/428880531.db2.gz ZNOKUIIFDQLUJC-MHORFTMASA-N 2 1 312.498 2.671 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000375466048 428891183 /nfs/dbraw/zinc/89/11/83/428891183.db2.gz BJHYYMYRTBCIDJ-LJQANCHMSA-N 2 1 313.445 2.651 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCC[C@]1(CO)Cc1ccccc1 ZINC000375466048 428891188 /nfs/dbraw/zinc/89/11/88/428891188.db2.gz BJHYYMYRTBCIDJ-LJQANCHMSA-N 2 1 313.445 2.651 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176760 428898946 /nfs/dbraw/zinc/89/89/46/428898946.db2.gz LTYHDROLAULHOI-QGZVFWFLSA-N 2 1 316.474 2.852 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176760 428898948 /nfs/dbraw/zinc/89/89/48/428898948.db2.gz LTYHDROLAULHOI-QGZVFWFLSA-N 2 1 316.474 2.852 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3cc(-n4ccnc4)cs3)C2)C1 ZINC000354176760 428898952 /nfs/dbraw/zinc/89/89/52/428898952.db2.gz LTYHDROLAULHOI-QGZVFWFLSA-N 2 1 316.474 2.852 20 0 DFADMP Cc1cccc([C@H](C)[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c1 ZINC000363287517 428900447 /nfs/dbraw/zinc/90/04/47/428900447.db2.gz FUKWLLBUDMHRPN-HKUYNNGSSA-N 2 1 301.478 2.768 20 0 DFADMP Cc1cccc(NC2CC[NH+]([C@@H](C)C(=O)N(C)C(C)C)CC2)[nH+]1 ZINC000363310220 428903897 /nfs/dbraw/zinc/90/38/97/428903897.db2.gz FCZTTXCLWARDAK-HNNXBMFYSA-N 2 1 318.465 2.522 20 0 DFADMP CCc1nccc([C@@H]2CCC[N@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363459871 428921371 /nfs/dbraw/zinc/92/13/71/428921371.db2.gz SSXOBOPLVQOZQM-MRXNPFEDSA-N 2 1 302.466 2.704 20 0 DFADMP CCc1nccc([C@@H]2CCC[N@@H+](CCC[NH+]3CCCC3)C2)n1 ZINC000363459871 428921377 /nfs/dbraw/zinc/92/13/77/428921377.db2.gz SSXOBOPLVQOZQM-MRXNPFEDSA-N 2 1 302.466 2.704 20 0 DFADMP C[N@H+](CCCCC1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375613728 428925366 /nfs/dbraw/zinc/92/53/66/428925366.db2.gz PJVUQXPTLDGPKW-KRWDZBQOSA-N 2 1 305.466 2.974 20 0 DFADMP C[N@@H+](CCCCC1CCOCC1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000375613728 428925373 /nfs/dbraw/zinc/92/53/73/428925373.db2.gz PJVUQXPTLDGPKW-KRWDZBQOSA-N 2 1 305.466 2.974 20 0 DFADMP CCCOC1(C[NH2+]C2CC[NH+](CCOC)CC2)CCCCC1 ZINC000349181809 428934527 /nfs/dbraw/zinc/93/45/27/428934527.db2.gz FIOZDYCBSOXYEC-UHFFFAOYSA-N 2 1 312.498 2.816 20 0 DFADMP Cc1ccc(C)c(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c1 ZINC000363539517 428936629 /nfs/dbraw/zinc/93/66/29/428936629.db2.gz LPANUFFIDMAGMV-IBGZPJMESA-N 2 1 301.478 2.515 20 0 DFADMP COc1cc(C)c(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000349196287 428938004 /nfs/dbraw/zinc/93/80/04/428938004.db2.gz UVDRECIPAPDQRM-QGZVFWFLSA-N 2 1 317.477 2.871 20 0 DFADMP CC(C)c1nccn1C[C@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000363568230 428944544 /nfs/dbraw/zinc/94/45/44/428944544.db2.gz QCNGXMYHQBJOCE-JKSUJKDBSA-N 2 1 320.481 2.632 20 0 DFADMP CC(C)c1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)N[C@@H](C)C(C)C ZINC000363568228 428946034 /nfs/dbraw/zinc/94/60/34/428946034.db2.gz QCNGXMYHQBJOCE-HOTGVXAUSA-N 2 1 320.481 2.632 20 0 DFADMP C[C@H](C(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC000345586292 428946890 /nfs/dbraw/zinc/94/68/90/428946890.db2.gz NZQJRLXMPKFLLC-SJLPKXTDSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1[C@H](NCCC[NH2+]C2CC2)CCC[N@H+]1Cc1ccccc1 ZINC000423552408 428972014 /nfs/dbraw/zinc/97/20/14/428972014.db2.gz JWONZBNFKLSAGN-VQIMIIECSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1[C@H]([NH2+]CCC[NH2+]C2CC2)CCCN1Cc1ccccc1 ZINC000423552408 428972021 /nfs/dbraw/zinc/97/20/21/428972021.db2.gz JWONZBNFKLSAGN-VQIMIIECSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2cn(C)nc2-c2cccs2)CC[N@H+]1C ZINC000354284147 428955641 /nfs/dbraw/zinc/95/56/41/428955641.db2.gz WEYMZUTYYSASNH-GXTWGEPZSA-N 2 1 304.463 2.721 20 0 DFADMP C[C@@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412125080 428959962 /nfs/dbraw/zinc/95/99/62/428959962.db2.gz GLKMXBIGTAKGDK-FZKCQIBNSA-N 2 1 311.514 2.730 20 0 DFADMP C[C@H](C(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412125085 428960078 /nfs/dbraw/zinc/96/00/78/428960078.db2.gz GLKMXBIGTAKGDK-QXSJWSMHSA-N 2 1 311.514 2.730 20 0 DFADMP Cn1nccc1CC[N@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000375754776 428962450 /nfs/dbraw/zinc/96/24/50/428962450.db2.gz DKYVGUCWCRMJQR-FQEVSTJZSA-N 2 1 324.472 2.561 20 0 DFADMP C[C@@H]([C@H](C)[NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000354327367 428970368 /nfs/dbraw/zinc/97/03/68/428970368.db2.gz GVSUZWVDCIBOKA-XYJFISCASA-N 2 1 323.525 2.768 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423777702 429016286 /nfs/dbraw/zinc/01/62/86/429016286.db2.gz SBUYALSDBYKWPA-RDJZCZTQSA-N 2 1 319.493 2.949 20 0 DFADMP CC1(C)CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000433271401 429017874 /nfs/dbraw/zinc/01/78/74/429017874.db2.gz NGXATHPCTYNIRG-SJLPKXTDSA-N 2 1 302.462 2.648 20 0 DFADMP CC1(C)CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000433271401 429017877 /nfs/dbraw/zinc/01/78/77/429017877.db2.gz NGXATHPCTYNIRG-SJLPKXTDSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](C)C3C[NH2+]C3)c2C1 ZINC000375963788 429027387 /nfs/dbraw/zinc/02/73/87/429027387.db2.gz LHLHIYFQXPDSAR-CQSZACIVSA-N 2 1 315.461 2.842 20 0 DFADMP CCOC(=O)c1coc(CNC[C@H]2CCC[N@H+](C(C)C)C2)c1 ZINC000354331474 428972811 /nfs/dbraw/zinc/97/28/11/428972811.db2.gz RHNSJZSYPQAOHG-CQSZACIVSA-N 2 1 308.422 2.666 20 0 DFADMP COCCOc1cccc(C[N@@H+](C)CCCn2ccnc2C)c1 ZINC000349367921 428972923 /nfs/dbraw/zinc/97/29/23/428972923.db2.gz MQVYOAAZMSZPSS-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP COCCOc1cccc(C[N@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000349367921 428972928 /nfs/dbraw/zinc/97/29/28/428972928.db2.gz MQVYOAAZMSZPSS-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP COCCOc1cccc(C[N@@H+](C)CCCn2cc[nH+]c2C)c1 ZINC000349367921 428972935 /nfs/dbraw/zinc/97/29/35/428972935.db2.gz MQVYOAAZMSZPSS-UHFFFAOYSA-N 2 1 317.433 2.739 20 0 DFADMP C[C@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349377138 428974617 /nfs/dbraw/zinc/97/46/17/428974617.db2.gz IPVASHNLYRGTEB-PDWMJMLSSA-N 2 1 301.478 2.750 20 0 DFADMP C[C@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349377138 428974621 /nfs/dbraw/zinc/97/46/21/428974621.db2.gz IPVASHNLYRGTEB-PDWMJMLSSA-N 2 1 301.478 2.750 20 0 DFADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1CC[N@@H+](C)Cc1ccc(F)cc1 ZINC000375789852 428976071 /nfs/dbraw/zinc/97/60/71/428976071.db2.gz VBLQYCFNZFXPLF-VQIMIIECSA-N 2 1 319.468 2.816 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375819345 428985319 /nfs/dbraw/zinc/98/53/19/428985319.db2.gz ZSTBHABTUHFDBS-JKSUJKDBSA-N 2 1 320.481 2.900 20 0 DFADMP CCN(CC)C(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000375819345 428985324 /nfs/dbraw/zinc/98/53/24/428985324.db2.gz ZSTBHABTUHFDBS-JKSUJKDBSA-N 2 1 320.481 2.900 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(c2nccc(C)n2)CC1 ZINC000363789928 428995268 /nfs/dbraw/zinc/99/52/68/428995268.db2.gz GCMWMUQSGAEIBW-UHFFFAOYSA-N 2 1 313.449 2.950 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H]2CCC[C@@H]21 ZINC000375850739 428996525 /nfs/dbraw/zinc/99/65/25/428996525.db2.gz JZKOYTKTUVTRGH-UFYCRDLUSA-N 2 1 324.472 2.894 20 0 DFADMP CCCN(CC[NH+](C)C)C(=O)[C@@H](CC)[N@@H+](C)Cc1ccccc1 ZINC000355227294 429034293 /nfs/dbraw/zinc/03/42/93/429034293.db2.gz LTBWDHOPKZLFHO-GOSISDBHSA-N 2 1 319.493 2.697 20 0 DFADMP CCc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375897128 429011941 /nfs/dbraw/zinc/01/19/41/429011941.db2.gz DJEKRPFJFNDABN-AKHDSKFASA-N 2 1 302.462 2.745 20 0 DFADMP O=C(N[C@@H]1CC[N@H+]2CCCC[C@@H]12)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000433231951 429012292 /nfs/dbraw/zinc/01/22/92/429012292.db2.gz ZJSOEZXPMWTYQU-SQNIBIBYSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000433231951 429012297 /nfs/dbraw/zinc/01/22/97/429012297.db2.gz ZJSOEZXPMWTYQU-SQNIBIBYSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CC[NH+]2CCCC[C@@H]12)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000433231951 429012304 /nfs/dbraw/zinc/01/23/04/429012304.db2.gz ZJSOEZXPMWTYQU-SQNIBIBYSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423450432 429089094 /nfs/dbraw/zinc/08/90/94/429089094.db2.gz SXIQKMLQLLGRPY-GUBZILKMSA-N 2 1 318.202 2.678 20 0 DFADMP CCOc1ccc([C@@H](CC)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1OCC ZINC000423439513 429089280 /nfs/dbraw/zinc/08/92/80/429089280.db2.gz SIEJNOJAWONHGF-FSZRXZPDSA-N 2 1 304.434 2.743 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423444067 429089615 /nfs/dbraw/zinc/08/96/15/429089615.db2.gz AUMIQRYOOMUIGY-OWYHZJEWSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423444067 429089619 /nfs/dbraw/zinc/08/96/19/429089619.db2.gz AUMIQRYOOMUIGY-OWYHZJEWSA-N 2 1 301.478 2.899 20 0 DFADMP Cc1ccnc(C2CC[NH+](CC[C@H]3CCCC[N@H+]3C)CC2)n1 ZINC000376295851 429091384 /nfs/dbraw/zinc/09/13/84/429091384.db2.gz JJVMSBFHVGWJOB-QGZVFWFLSA-N 2 1 302.466 2.839 20 0 DFADMP Cc1ccnc(C2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000376295851 429091388 /nfs/dbraw/zinc/09/13/88/429091388.db2.gz JJVMSBFHVGWJOB-QGZVFWFLSA-N 2 1 302.466 2.839 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000423470627 429091673 /nfs/dbraw/zinc/09/16/73/429091673.db2.gz LNGPUGDFEOTHCG-TWKWOARYSA-N 2 1 319.468 2.591 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CC[N@H+]1C ZINC000423470625 429093368 /nfs/dbraw/zinc/09/33/68/429093368.db2.gz LNGPUGDFEOTHCG-OYSPMZIOSA-N 2 1 319.468 2.591 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1NC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424138617 429097822 /nfs/dbraw/zinc/09/78/22/429097822.db2.gz CSYFDPBMADCZEQ-QGPMSJSTSA-N 2 1 321.509 2.663 20 0 DFADMP Fc1ccc2c(c1)OCCC[C@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423475379 429093771 /nfs/dbraw/zinc/09/37/71/429093771.db2.gz KGDDSGATWXVURG-BXUZGUMPSA-N 2 1 314.351 2.874 20 0 DFADMP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cc1F ZINC000423475989 429094214 /nfs/dbraw/zinc/09/42/14/429094214.db2.gz LAAYFQBMQFWLHS-CMPLNLGQSA-N 2 1 302.340 2.730 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@H](C)c1ccc(NC(=O)N(CC)CC)cc1 ZINC000423475725 429094773 /nfs/dbraw/zinc/09/47/73/429094773.db2.gz RYUHVCDSQBZRQE-HIFRSBDPSA-N 2 1 306.454 2.948 20 0 DFADMP CO[C@@H]1CCC[NH+](C/C=C/C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000376066571 429051244 /nfs/dbraw/zinc/05/12/44/429051244.db2.gz ICLZLBCFOLQHQY-GEWVGOBGSA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@@H]1CCC[N@@H+](C/C=C/C[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000376066571 429051247 /nfs/dbraw/zinc/05/12/47/429051247.db2.gz ICLZLBCFOLQHQY-GEWVGOBGSA-N 2 1 310.482 2.544 20 0 DFADMP CO[C@@H]1CCC[N@H+](C/C=C/C[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000376066571 429051250 /nfs/dbraw/zinc/05/12/50/429051250.db2.gz ICLZLBCFOLQHQY-GEWVGOBGSA-N 2 1 310.482 2.544 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+][C@H](C)c1cc(Cl)c(OC)cc1OC ZINC000423281455 429055589 /nfs/dbraw/zinc/05/55/89/429055589.db2.gz VNRLCKRGWKTMTR-WDEREUQCSA-N 2 1 300.830 2.863 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000423293714 429057053 /nfs/dbraw/zinc/05/70/53/429057053.db2.gz AOQNWJSDKGPHAS-ZWKOTPCHSA-N 2 1 315.465 2.825 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423287270 429057428 /nfs/dbraw/zinc/05/74/28/429057428.db2.gz LEQUKGZQQIEXPR-OAHLLOKOSA-N 3 1 307.482 2.795 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(N2CCCC2=O)c1 ZINC000423288641 429057969 /nfs/dbraw/zinc/05/79/69/429057969.db2.gz UCFAZVXGRDIASX-AWEZNQCLSA-N 2 1 303.450 2.982 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)c1ccc(CCNC(C)=O)cc1 ZINC000423294426 429058079 /nfs/dbraw/zinc/05/80/79/429058079.db2.gz BVLJMEPSRLIBJH-RDTXWAMCSA-N 2 1 305.466 2.533 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccccc21 ZINC000423284058 429058825 /nfs/dbraw/zinc/05/88/25/429058825.db2.gz XNBVXJHIAAPEOS-ZACQAIPSSA-N 2 1 304.434 2.741 20 0 DFADMP CC(C)([NH3+])CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423289201 429058915 /nfs/dbraw/zinc/05/89/15/429058915.db2.gz WLCGUOYDNOWAME-RCCFBDPRSA-N 3 1 301.478 2.614 20 0 DFADMP CCC[NH2+]CCN[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423305738 429059576 /nfs/dbraw/zinc/05/95/76/429059576.db2.gz COROJOYCJLWUPZ-LDLYASANSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000423309586 429059698 /nfs/dbraw/zinc/05/96/98/429059698.db2.gz QGVOFFCCGMCCCI-BEFAXECRSA-N 2 1 323.440 2.711 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@H]3CCC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423303446 429059869 /nfs/dbraw/zinc/05/98/69/429059869.db2.gz LODFVJHFLRMHNH-MUGJNUQGSA-N 3 1 313.489 2.771 20 0 DFADMP CCC[NH2+]CC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000423310787 429059973 /nfs/dbraw/zinc/05/99/73/429059973.db2.gz OKXRKLBELCFNKY-OAHLLOKOSA-N 2 1 311.267 2.896 20 0 DFADMP CC[C@@H](C(=O)N[C@@H](C[NH3+])C1CCCC1)[N@@H+](C)Cc1ccccc1 ZINC000423960710 429065175 /nfs/dbraw/zinc/06/51/75/429065175.db2.gz NMDHTLLMNQVWCO-ROUUACIJSA-N 2 1 317.477 2.531 20 0 DFADMP COCCC[C@@H]([NH2+][C@H](C)C[NH3+])c1ccc(Br)cc1 ZINC000423329824 429065870 /nfs/dbraw/zinc/06/58/70/429065870.db2.gz OYROEFJJGUAVEU-BXUZGUMPSA-N 2 1 315.255 2.854 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323550 429066164 /nfs/dbraw/zinc/06/61/64/429066164.db2.gz ICFOXDROZKKVKV-MJGOQNOKSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC[NH2+]CC1 ZINC000423323550 429066166 /nfs/dbraw/zinc/06/61/66/429066166.db2.gz ICFOXDROZKKVKV-MJGOQNOKSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@]1(C)CCC[NH2+]C1 ZINC000423338714 429068561 /nfs/dbraw/zinc/06/85/61/429068561.db2.gz UUVLQRLHCXSKPM-YZGWKJHDSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338714 429068565 /nfs/dbraw/zinc/06/85/65/429068565.db2.gz UUVLQRLHCXSKPM-YZGWKJHDSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338714 429068569 /nfs/dbraw/zinc/06/85/69/429068569.db2.gz UUVLQRLHCXSKPM-YZGWKJHDSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000423338714 429068572 /nfs/dbraw/zinc/06/85/72/429068572.db2.gz UUVLQRLHCXSKPM-YZGWKJHDSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H](C[NH3+])[NH2+][C@H](C)c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423337008 429068742 /nfs/dbraw/zinc/06/87/42/429068742.db2.gz VGNDRAPNITXKKE-HUUCEWRRSA-N 2 1 324.428 2.911 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C2CCSCC2)cc1 ZINC000423346877 429070015 /nfs/dbraw/zinc/07/00/15/429070015.db2.gz ZEYFNRRUVDDHSX-DLBZAZTESA-N 2 1 306.475 2.626 20 0 DFADMP Cn1ccnc1[C@H]([NH2+]CC1=CC[NH2+]CC1)c1ccc(Cl)cc1 ZINC000423363364 429072909 /nfs/dbraw/zinc/07/29/09/429072909.db2.gz YNDFPWZZBNTNQW-MRXNPFEDSA-N 2 1 316.836 2.672 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCC[C@H]1CCC[NH2+]1 ZINC000423366782 429073627 /nfs/dbraw/zinc/07/36/27/429073627.db2.gz QJOUDSOKEZIOKR-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366782 429073629 /nfs/dbraw/zinc/07/36/29/429073629.db2.gz QJOUDSOKEZIOKR-BHIYHBOVSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366782 429073634 /nfs/dbraw/zinc/07/36/34/429073634.db2.gz QJOUDSOKEZIOKR-BHIYHBOVSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423366782 429073638 /nfs/dbraw/zinc/07/36/38/429073638.db2.gz QJOUDSOKEZIOKR-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC[NH2+]1 ZINC000423370680 429074101 /nfs/dbraw/zinc/07/41/01/429074101.db2.gz DUCKBAVCGUYBNY-RUGGUXRKSA-N 2 1 313.489 2.912 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2C[NH2+]CC[C@@H]2C)c(C)c1OC ZINC000423370080 429075288 /nfs/dbraw/zinc/07/52/88/429075288.db2.gz UBUATPMEROMFKM-HEHGZKQESA-N 2 1 306.450 2.531 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)NCC(C)(C)[N@H+]2CCC[C@H](C)C2)cc1 ZINC000423377439 429076308 /nfs/dbraw/zinc/07/63/08/429076308.db2.gz YSYSIEGUROAQBC-GJZGRUSLSA-N 2 1 317.477 2.947 20 0 DFADMP C[C@@H](N[C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423374754 429076661 /nfs/dbraw/zinc/07/66/61/429076661.db2.gz IIYXEKSZQQWJBS-ZAWLATJESA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423374754 429076666 /nfs/dbraw/zinc/07/66/66/429076666.db2.gz IIYXEKSZQQWJBS-ZAWLATJESA-N 3 1 301.478 2.627 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423374754 429076670 /nfs/dbraw/zinc/07/66/70/429076670.db2.gz IIYXEKSZQQWJBS-ZAWLATJESA-N 3 1 301.478 2.627 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH2+][C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000423381654 429077047 /nfs/dbraw/zinc/07/70/47/429077047.db2.gz OKHMXFJRXXBUDC-IJEWVQPXSA-N 2 1 301.434 2.605 20 0 DFADMP C[NH2+][C@H](C)C[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000423381415 429077382 /nfs/dbraw/zinc/07/73/82/429077382.db2.gz FNROGZFVQPVKTA-VHSXEESVSA-N 2 1 303.219 2.717 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423386504 429080032 /nfs/dbraw/zinc/08/00/32/429080032.db2.gz LIFTYBPJLGRZGH-GOEBONIOSA-N 2 1 303.450 2.772 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC(C)(C)CC[NH3+])cc1)C1CC1 ZINC000424044888 429081583 /nfs/dbraw/zinc/08/15/83/429081583.db2.gz GDYRCXMYZZVVCL-UHFFFAOYSA-N 2 1 303.450 2.528 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000423397914 429082186 /nfs/dbraw/zinc/08/21/86/429082186.db2.gz VDQLNNMSEGJGPX-NVXWUHKLSA-N 2 1 317.477 2.796 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N[C@@H]2CC[N@@H+](CC3CCCC3)C2)cc1 ZINC000423422181 429085514 /nfs/dbraw/zinc/08/55/14/429085514.db2.gz YNHXTZPIRWUZKM-KBXCAEBGSA-N 2 1 315.461 2.701 20 0 DFADMP Cc1ccc(C)c([C@H]([NH2+]C[C@H]2C[NH2+]C[C@H]2O)c2ccccc2)c1 ZINC000423436738 429086623 /nfs/dbraw/zinc/08/66/23/429086623.db2.gz TXNUOAWTKBMWFJ-MISYRCLQSA-N 2 1 310.441 2.563 20 0 DFADMP Cc1cc([C@H](C)[NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)sc1Br ZINC000423436838 429086681 /nfs/dbraw/zinc/08/66/81/429086681.db2.gz SVDXXQUMEUSSNU-WYOJIJJFSA-N 2 1 301.253 2.687 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H](C)CCCC[NH3+])cc1)C1CC1 ZINC000494691433 429143460 /nfs/dbraw/zinc/14/34/60/429143460.db2.gz PVSWXMQLLOOJJH-OAHLLOKOSA-N 2 1 317.477 2.918 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@@H]1NC(=O)OC(C)(C)C ZINC000494695854 429145329 /nfs/dbraw/zinc/14/53/29/429145329.db2.gz YOWXLGAMUFXRSD-GJZGRUSLSA-N 2 1 313.486 2.752 20 0 DFADMP CC[N@H+](CC(=O)N(CC(C)C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435611889 429151891 /nfs/dbraw/zinc/15/18/91/429151891.db2.gz CYNNQXPWMMYYGH-KRWDZBQOSA-N 2 1 311.514 2.591 20 0 DFADMP CC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)[C@H]1CCC[NH2+]CC1 ZINC000435611889 429151894 /nfs/dbraw/zinc/15/18/94/429151894.db2.gz CYNNQXPWMMYYGH-KRWDZBQOSA-N 2 1 311.514 2.591 20 0 DFADMP CC[N@H+](CC(=O)N(CC(C)C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435611890 429152187 /nfs/dbraw/zinc/15/21/87/429152187.db2.gz CYNNQXPWMMYYGH-QGZVFWFLSA-N 2 1 311.514 2.591 20 0 DFADMP CC[N@@H+](CC(=O)N(CC(C)C)CC(C)C)[C@@H]1CCC[NH2+]CC1 ZINC000435611890 429152190 /nfs/dbraw/zinc/15/21/90/429152190.db2.gz CYNNQXPWMMYYGH-QGZVFWFLSA-N 2 1 311.514 2.591 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@H]1CCC[NH2+]CC1 ZINC000435621860 429153977 /nfs/dbraw/zinc/15/39/77/429153977.db2.gz AUQMVRGNASOKCD-AWEZNQCLSA-N 2 1 307.413 2.537 20 0 DFADMP CCOc1ccccc1OCC[N@@H+](CC)[C@H]1CCC[NH2+]CC1 ZINC000435625648 429154484 /nfs/dbraw/zinc/15/44/84/429154484.db2.gz IIHGRCUZFVTQFA-INIZCTEOSA-N 2 1 306.450 2.928 20 0 DFADMP CC[N@H+](CC(=O)N(C)[C@H](C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626278 429154717 /nfs/dbraw/zinc/15/47/17/429154717.db2.gz KEWDWVYYAFXLPF-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CC[N@@H+](CC(=O)N(C)[C@H](C)c1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435626278 429154720 /nfs/dbraw/zinc/15/47/20/429154720.db2.gz KEWDWVYYAFXLPF-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CCN(C(=O)C[N@H+](CC)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000435627810 429155604 /nfs/dbraw/zinc/15/56/04/429155604.db2.gz ORFDDLKVGSNGJG-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP CCN(C(=O)C[N@@H+](CC)[C@@H]1CCC[NH2+]CC1)C1CCCCC1 ZINC000435627810 429155606 /nfs/dbraw/zinc/15/56/06/429155606.db2.gz ORFDDLKVGSNGJG-MRXNPFEDSA-N 2 1 309.498 2.632 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@]1(C)CC[N@H+](Cc2ccccc2)C1 ZINC000376644545 429155524 /nfs/dbraw/zinc/15/55/24/429155524.db2.gz QWPQAJYEEFFVHE-IBGZPJMESA-N 2 1 312.461 2.730 20 0 DFADMP Cc1cnn(C)c1C[NH2+]C[C@]1(C)CC[N@@H+](Cc2ccccc2)C1 ZINC000376644545 429155529 /nfs/dbraw/zinc/15/55/29/429155529.db2.gz QWPQAJYEEFFVHE-IBGZPJMESA-N 2 1 312.461 2.730 20 0 DFADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCCO1)CCS2 ZINC000423493036 429099018 /nfs/dbraw/zinc/09/90/18/429099018.db2.gz PHALKZILORYXIC-HOCLYGCPSA-N 2 1 306.475 2.808 20 0 DFADMP C[C@@H]1C[C@@H](NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC[N@H+]1C ZINC000424139053 429099004 /nfs/dbraw/zinc/09/90/04/429099004.db2.gz DVAPAQPXHNYHTQ-OIISXLGYSA-N 2 1 309.498 2.663 20 0 DFADMP C1CCC2(C1)CCC[C@H]2[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000423513709 429104553 /nfs/dbraw/zinc/10/45/53/429104553.db2.gz RUPSTKCBHGNOSL-DAWZGUTISA-N 2 1 305.510 2.905 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)cc1 ZINC000434671489 429105324 /nfs/dbraw/zinc/10/53/24/429105324.db2.gz UWMMNSWYRRYAKT-JKSUJKDBSA-N 2 1 317.477 2.741 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH+](CC)C2)cc1)C(C)C ZINC000412829706 429108924 /nfs/dbraw/zinc/10/89/24/429108924.db2.gz ABHUXFCMPHOBIE-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@H+](CC)C2)cc1)C(C)C ZINC000412829706 429108928 /nfs/dbraw/zinc/10/89/28/429108928.db2.gz ABHUXFCMPHOBIE-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC)C2)cc1)C(C)C ZINC000412829706 429108931 /nfs/dbraw/zinc/10/89/31/429108931.db2.gz ABHUXFCMPHOBIE-GOSISDBHSA-N 2 1 317.477 2.741 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CCC(=O)Nc1ccc(F)cc1)CC[NH2+]CC2 ZINC000424287040 429119448 /nfs/dbraw/zinc/11/94/48/429119448.db2.gz IGBHFXRLGCQPQR-CQSZACIVSA-N 2 1 319.424 2.618 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cn3cc(Cl)ccc3n1)CC[NH2+]CC2 ZINC000424286611 429119536 /nfs/dbraw/zinc/11/95/36/429119536.db2.gz HLHCHWZVPOOALB-ZDUSSCGKSA-N 2 1 318.852 2.952 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cncc(Br)c1)CC[NH2+]CC2 ZINC000424286698 429119728 /nfs/dbraw/zinc/11/97/28/429119728.db2.gz HWHVVUKADOABFQ-GFCCVEGCSA-N 2 1 324.266 2.808 20 0 DFADMP COc1ccccc1OCC[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424295912 429121445 /nfs/dbraw/zinc/12/14/45/429121445.db2.gz RQAAOTACTWFFRT-OAHLLOKOSA-N 2 1 304.434 2.538 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+]C2CC(CC(=O)OC)C2)c1 ZINC000424296320 429121609 /nfs/dbraw/zinc/12/16/09/429121609.db2.gz FRBFBSQXDSQJSC-UHFFFAOYSA-N 2 1 304.434 2.570 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cnn(-c3ccccc3)c1)CC[NH2+]CC2 ZINC000424301082 429122799 /nfs/dbraw/zinc/12/27/99/429122799.db2.gz WYQHFCZQIIBYBX-INIZCTEOSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cccc(-n3cccn3)c1)CC[NH2+]CC2 ZINC000424298976 429123510 /nfs/dbraw/zinc/12/35/10/429123510.db2.gz VDBSTEIFIKTCAK-INIZCTEOSA-N 2 1 310.445 2.836 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@@H](C)C1 ZINC000435132298 429124934 /nfs/dbraw/zinc/12/49/34/429124934.db2.gz IRTQFMUYMGHUTE-BBRMVZONSA-N 2 1 302.422 2.832 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@@H](C)C1 ZINC000435132298 429124937 /nfs/dbraw/zinc/12/49/37/429124937.db2.gz IRTQFMUYMGHUTE-BBRMVZONSA-N 2 1 302.422 2.832 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@@H](C)C1 ZINC000435132298 429124939 /nfs/dbraw/zinc/12/49/39/429124939.db2.gz IRTQFMUYMGHUTE-BBRMVZONSA-N 2 1 302.422 2.832 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)[C@@H](C)C1 ZINC000435132298 429124943 /nfs/dbraw/zinc/12/49/43/429124943.db2.gz IRTQFMUYMGHUTE-BBRMVZONSA-N 2 1 302.422 2.832 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130027 429125100 /nfs/dbraw/zinc/12/51/00/429125100.db2.gz PKHVJSVMOABZJL-ZIAGYGMSSA-N 2 1 302.422 2.974 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130027 429125104 /nfs/dbraw/zinc/12/51/04/429125104.db2.gz PKHVJSVMOABZJL-ZIAGYGMSSA-N 2 1 302.422 2.974 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130027 429125107 /nfs/dbraw/zinc/12/51/07/429125107.db2.gz PKHVJSVMOABZJL-ZIAGYGMSSA-N 2 1 302.422 2.974 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)Cc2ccc(-c3cc[nH]n3)o2)C[C@H]1C ZINC000435130027 429125112 /nfs/dbraw/zinc/12/51/12/429125112.db2.gz PKHVJSVMOABZJL-ZIAGYGMSSA-N 2 1 302.422 2.974 20 0 DFADMP COCCOc1cccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c1 ZINC000424377662 429130750 /nfs/dbraw/zinc/13/07/50/429130750.db2.gz MMYIAAQIYGFGBD-INIZCTEOSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCCC[C@H]2[NH3+])ccc1OC(F)F ZINC000424375408 429132205 /nfs/dbraw/zinc/13/22/05/429132205.db2.gz JRZIUZNEDQEKIX-VXGBXAGGSA-N 2 1 300.349 2.656 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+]1C[C@@H](C[NH3+])C[C@@H]1C ZINC000435373662 429132733 /nfs/dbraw/zinc/13/27/33/429132733.db2.gz NWTLVTMBFNOKJE-LSDHHAIUSA-N 2 1 311.429 2.926 20 0 DFADMP CC[N@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)[C@H]1CCC[NH2+]CC1 ZINC000435388930 429135792 /nfs/dbraw/zinc/13/57/92/429135792.db2.gz IECGZZWHFVTOCH-PBHICJAKSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@@H+](Cc1cc(OC)cc2c1O[C@H](C)C2)[C@H]1CCC[NH2+]CC1 ZINC000435388930 429135797 /nfs/dbraw/zinc/13/57/97/429135797.db2.gz IECGZZWHFVTOCH-PBHICJAKSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@H+](Cc1cccc2c1OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435388318 429135921 /nfs/dbraw/zinc/13/59/21/429135921.db2.gz FBBSXESOKKLTAN-INIZCTEOSA-N 2 1 304.434 2.812 20 0 DFADMP CC[N@@H+](Cc1cccc2c1OCCCO2)[C@H]1CCC[NH2+]CC1 ZINC000435388318 429135925 /nfs/dbraw/zinc/13/59/25/429135925.db2.gz FBBSXESOKKLTAN-INIZCTEOSA-N 2 1 304.434 2.812 20 0 DFADMP CC[N@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435380795 429136120 /nfs/dbraw/zinc/13/61/20/429136120.db2.gz QETAVLCTQZSAMB-QGZVFWFLSA-N 2 1 316.424 2.975 20 0 DFADMP CC[N@@H+](Cc1cnn(-c2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000435380795 429136125 /nfs/dbraw/zinc/13/61/25/429136125.db2.gz QETAVLCTQZSAMB-QGZVFWFLSA-N 2 1 316.424 2.975 20 0 DFADMP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000435388660 429136481 /nfs/dbraw/zinc/13/64/81/429136481.db2.gz IIGUGSYINRQNCU-ZDUSSCGKSA-N 2 1 320.387 2.548 20 0 DFADMP COc1cc(C[N@@H+](C)[C@H]2CCC[NH2+]CC2)cc(Cl)c1OC ZINC000435448188 429141056 /nfs/dbraw/zinc/14/10/56/429141056.db2.gz TZHNSVDSIACZCT-ZDUSSCGKSA-N 2 1 312.841 2.931 20 0 DFADMP Cc1[nH+]ccn1CCCCNC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424430640 429142377 /nfs/dbraw/zinc/14/23/77/429142377.db2.gz CVWJWECUWPEUIX-UHFFFAOYSA-N 2 1 315.421 2.561 20 0 DFADMP Cc1ccccc1[C@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1CCCC1 ZINC000494937213 429164290 /nfs/dbraw/zinc/16/42/90/429164290.db2.gz DMYABGIESZCNEF-RTBURBONSA-N 2 1 302.462 2.883 20 0 DFADMP Cc1ccccc1[C@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1CCCC1 ZINC000494937213 429164294 /nfs/dbraw/zinc/16/42/94/429164294.db2.gz DMYABGIESZCNEF-RTBURBONSA-N 2 1 302.462 2.883 20 0 DFADMP O=C1CC[C@@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2cc(F)ccc2N1 ZINC000376265440 275017591 /nfs/dbraw/zinc/01/75/91/275017591.db2.gz KZVDTTQHLFFTKU-MRXNPFEDSA-N 2 1 317.408 2.816 20 0 DFADMP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@@H+](CCC[NH2+]C)[C@H]2CCCC[C@@H]12 ZINC000435873149 429168814 /nfs/dbraw/zinc/16/88/14/429168814.db2.gz BKETXGNSQBKDHM-TXTZMMAHSA-N 2 1 323.525 2.780 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCCc1cc(-c2ccc(F)cc2)n[nH]1 ZINC000435876062 429169438 /nfs/dbraw/zinc/16/94/38/429169438.db2.gz GTUGFNCDIWYESI-UHFFFAOYSA-N 2 1 304.413 2.690 20 0 DFADMP C[NH2+]CCCN1CC[C@@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000435873898 429169503 /nfs/dbraw/zinc/16/95/03/429169503.db2.gz GRSISPLCVYANRY-LJQANCHMSA-N 2 1 301.478 2.584 20 0 DFADMP CCOCCC[N@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435683147 429158203 /nfs/dbraw/zinc/15/82/03/429158203.db2.gz HHPCZXFISUAGQG-AWEZNQCLSA-N 2 1 309.479 2.514 20 0 DFADMP CCOCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435683147 429158205 /nfs/dbraw/zinc/15/82/05/429158205.db2.gz HHPCZXFISUAGQG-AWEZNQCLSA-N 2 1 309.479 2.514 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495042591 429173542 /nfs/dbraw/zinc/17/35/42/429173542.db2.gz HLAJRNSXBPSKFB-KEYYUXOJSA-N 2 1 303.450 2.522 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495042591 429173546 /nfs/dbraw/zinc/17/35/46/429173546.db2.gz HLAJRNSXBPSKFB-KEYYUXOJSA-N 2 1 303.450 2.522 20 0 DFADMP CCc1noc(C)c1C[NH2+][C@@H]1CCN(C[C@H]2CCCO2)C[C@H]1C ZINC000364338279 429186260 /nfs/dbraw/zinc/18/62/60/429186260.db2.gz ADBIOWDSRNTBGX-DDUZABMNSA-N 2 1 321.465 2.524 20 0 DFADMP C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CCCC[N@H+]1C1CC1 ZINC000370083996 275394925 /nfs/dbraw/zinc/39/49/25/275394925.db2.gz SZLTXTYQYBMDBP-LJQANCHMSA-N 2 1 305.510 3.000 20 0 DFADMP C([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@H]1CCCCN1C1CC1 ZINC000370083996 275394926 /nfs/dbraw/zinc/39/49/26/275394926.db2.gz SZLTXTYQYBMDBP-LJQANCHMSA-N 2 1 305.510 3.000 20 0 DFADMP C([C@H]1CC[N@H+](CC2CCC3(CC2)OCCO3)C1)[NH+]1CCCCC1 ZINC000190251930 275397862 /nfs/dbraw/zinc/39/78/62/275397862.db2.gz BGDULTZUWZSBBV-GOSISDBHSA-N 2 1 322.493 2.728 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]C1CCN(c3ccccc3)CC1)CC2 ZINC000364605205 429232363 /nfs/dbraw/zinc/23/23/63/429232363.db2.gz LPKSSVVRZRWRAC-MRXNPFEDSA-N 2 1 310.445 2.704 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[C@H]3CC[C@@H](C)O3)CC2)nc(C)[nH+]1 ZINC000364488296 429212440 /nfs/dbraw/zinc/21/24/40/429212440.db2.gz AXZVNYYOSPULBV-RHSMWYFYSA-N 2 1 318.465 2.562 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[C@H]3CC[C@@H](C)O3)CC2)nc(C)[nH+]1 ZINC000364488296 429212446 /nfs/dbraw/zinc/21/24/46/429212446.db2.gz AXZVNYYOSPULBV-RHSMWYFYSA-N 2 1 318.465 2.562 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000442930092 429241242 /nfs/dbraw/zinc/24/12/42/429241242.db2.gz SPDOHWKPFGVSCF-AWEZNQCLSA-N 2 1 302.397 2.572 20 0 DFADMP C[C@H](CNc1cc[nH+]c2ccc(Br)cc12)[NH+](C)C ZINC000443428379 429250343 /nfs/dbraw/zinc/25/03/43/429250343.db2.gz KKWOUWTXXFVRNT-SNVBAGLBSA-N 2 1 308.223 2.781 20 0 DFADMP C[N@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364711121 429253293 /nfs/dbraw/zinc/25/32/93/429253293.db2.gz SIZNWLOLDVSNAG-HNNXBMFYSA-N 2 1 321.465 2.889 20 0 DFADMP C[N@@H+](CCCCC(=O)OC(C)(C)C)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000364711121 429253296 /nfs/dbraw/zinc/25/32/96/429253296.db2.gz SIZNWLOLDVSNAG-HNNXBMFYSA-N 2 1 321.465 2.889 20 0 DFADMP Cc1csc([C@@H]2CCCN(Cc3cnc(N(C)C)n3C)C2)n1 ZINC000425321321 429264145 /nfs/dbraw/zinc/26/41/45/429264145.db2.gz FIFVLNXQJWWJTB-CYBMUJFWSA-N 2 1 319.478 2.631 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000364864505 429267966 /nfs/dbraw/zinc/26/79/66/429267966.db2.gz CVOHVJHZDFPRFQ-NMLBUPMWSA-N 2 1 319.537 2.937 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495817668 429273213 /nfs/dbraw/zinc/27/32/13/429273213.db2.gz OOOSHHZTIDHIIB-KGLIPLIRSA-N 2 1 313.486 2.560 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495817668 429273216 /nfs/dbraw/zinc/27/32/16/429273216.db2.gz OOOSHHZTIDHIIB-KGLIPLIRSA-N 2 1 313.486 2.560 20 0 DFADMP C[C@@H]1CCC[N@H+]1C1CC[NH+](CC2CCC3(CC2)OCCO3)CC1 ZINC000365208324 429279544 /nfs/dbraw/zinc/27/95/44/429279544.db2.gz VTVHWMLVUHWALH-MRXNPFEDSA-N 2 1 322.493 2.868 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnn1C1CCCC1 ZINC000449076894 429325984 /nfs/dbraw/zinc/32/59/84/429325984.db2.gz UOQPQSVNHZBJDY-AWEZNQCLSA-N 2 1 301.438 2.929 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000449085161 429327309 /nfs/dbraw/zinc/32/73/09/429327309.db2.gz KUWRCZVZSFDTKE-HOTGVXAUSA-N 2 1 311.514 2.639 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCOC3(CCC3)C2)C[C@H](C)O1 ZINC000449104128 429332987 /nfs/dbraw/zinc/33/29/87/429332987.db2.gz UHZXTJWAPGRMPH-BBWFWOEESA-N 2 1 310.482 2.567 20 0 DFADMP c1cn2c([nH+]1)C[C@@H](C[NH2+]Cc1cnc(-c3ccccc3)[nH]1)CC2 ZINC000365545416 429338003 /nfs/dbraw/zinc/33/80/03/429338003.db2.gz KDAAARJUWPBYHQ-AWEZNQCLSA-N 2 1 307.401 2.625 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2cccc3ccoc32)CC1 ZINC000449123971 429338284 /nfs/dbraw/zinc/33/82/84/429338284.db2.gz OTNZICDYCWADEJ-QGZVFWFLSA-N 2 1 302.418 2.615 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cnc([C@@H]3CCCO3)s1)CC2 ZINC000365553350 429341093 /nfs/dbraw/zinc/34/10/93/429341093.db2.gz XSKDLHMVTCAMAI-OCCSQVGLSA-N 2 1 318.446 2.543 20 0 DFADMP NC(=O)[C@H]1CCC[N@@H+](CCC[NH2+][C@H]2CCCC23CCCCC3)C1 ZINC000449137610 429341980 /nfs/dbraw/zinc/34/19/80/429341980.db2.gz YOMPFISXATWKQJ-IRXDYDNUSA-N 2 1 321.509 2.666 20 0 DFADMP CC[C@@H]1C[N@@H+](CC)CCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000456368117 429290304 /nfs/dbraw/zinc/29/03/04/429290304.db2.gz DUDDMBVDPLGDIK-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000456368117 429290307 /nfs/dbraw/zinc/29/03/07/429290307.db2.gz DUDDMBVDPLGDIK-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H]1C[NH+](CC)CCN1C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000456368117 429290312 /nfs/dbraw/zinc/29/03/12/429290312.db2.gz DUDDMBVDPLGDIK-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](CC[C@H](C(=O)OC)c2ccccc2)C1 ZINC000425424903 429293958 /nfs/dbraw/zinc/29/39/58/429293958.db2.gz QBGHVBPEGYTODA-WMZOPIPTSA-N 2 1 318.461 2.607 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC[C@H](C(=O)OC)c2ccccc2)C1 ZINC000425424903 429293959 /nfs/dbraw/zinc/29/39/59/429293959.db2.gz QBGHVBPEGYTODA-WMZOPIPTSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC[C@H](C(=O)OC)c2ccccc2)C1 ZINC000425424903 429293962 /nfs/dbraw/zinc/29/39/62/429293962.db2.gz QBGHVBPEGYTODA-WMZOPIPTSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC[C@H](C(=O)OC)c2ccccc2)C1 ZINC000425424903 429293963 /nfs/dbraw/zinc/29/39/63/429293963.db2.gz QBGHVBPEGYTODA-WMZOPIPTSA-N 2 1 318.461 2.607 20 0 DFADMP CO[C@H](C[NH+]1CCC(CC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1)C1CC1 ZINC000425427835 429294337 /nfs/dbraw/zinc/29/43/37/429294337.db2.gz VJISGACIGXXIFL-JTDSTZFVSA-N 2 1 324.509 2.623 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](CCN2CCCc3ccccc32)CC1 ZINC000365404443 429313750 /nfs/dbraw/zinc/31/37/50/429313750.db2.gz PVVZEQWJRVKVLR-GOSISDBHSA-N 2 1 301.478 2.855 20 0 DFADMP C[NH+]1CCN(c2cc[nH+]cc2NC(=O)CCC2CCCC2)CC1 ZINC000517650991 429392229 /nfs/dbraw/zinc/39/22/29/429392229.db2.gz PLXBCMXJFXRBSX-UHFFFAOYSA-N 2 1 316.449 2.742 20 0 DFADMP CCC[NH2+][C@@H](C)C(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000449341148 429393167 /nfs/dbraw/zinc/39/31/67/429393167.db2.gz YAKOUGUNWOQWHL-HNNXBMFYSA-N 2 1 305.466 2.531 20 0 DFADMP c1ccc(C[N@@H+]2C[C@H]3CC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449402732 429405169 /nfs/dbraw/zinc/40/51/69/429405169.db2.gz NDBMAXUSWHFTHN-VAMGGRTRSA-N 2 1 312.457 2.833 20 0 DFADMP C[N@@H+](CCO[C@@H]1CCCCO1)C1CCN(c2ccccn2)CC1 ZINC000365622741 429352704 /nfs/dbraw/zinc/35/27/04/429352704.db2.gz CDVFHBCYJJSFQB-GOSISDBHSA-N 2 1 319.449 2.525 20 0 DFADMP C[C@@H]([NH2+]C[C@H](C)C[NH+](C)C)c1ccc(-n2cncn2)cc1Cl ZINC000425949914 429353550 /nfs/dbraw/zinc/35/35/50/429353550.db2.gz HYVVYCQQUYDVFS-QWHCGFSZSA-N 2 1 321.856 2.769 20 0 DFADMP CC(C)C[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC000511616579 429357298 /nfs/dbraw/zinc/35/72/98/429357298.db2.gz NPHPTPHSVWUUOY-UHFFFAOYSA-N 2 1 323.525 2.876 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000365665254 429358114 /nfs/dbraw/zinc/35/81/14/429358114.db2.gz FHELSSZFIBMOPX-UHOSZYNNSA-N 2 1 305.510 2.691 20 0 DFADMP C[C@H](Cc1ccoc1)[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000449225485 429362198 /nfs/dbraw/zinc/36/21/98/429362198.db2.gz OQVYAOHGKRUHLI-MRXNPFEDSA-N 2 1 306.450 2.835 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449243512 429364833 /nfs/dbraw/zinc/36/48/33/429364833.db2.gz LHBUTEJIQBLDIW-ROUUACIJSA-N 2 1 320.864 2.932 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449243512 429364834 /nfs/dbraw/zinc/36/48/34/429364834.db2.gz LHBUTEJIQBLDIW-ROUUACIJSA-N 2 1 320.864 2.932 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449243511 429366055 /nfs/dbraw/zinc/36/60/55/429366055.db2.gz LHBUTEJIQBLDIW-QZTJIDSGSA-N 2 1 320.864 2.932 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@@H]2CC=C(c3ccc(Cl)cc3)CC2)C1 ZINC000449243511 429366059 /nfs/dbraw/zinc/36/60/59/429366059.db2.gz LHBUTEJIQBLDIW-QZTJIDSGSA-N 2 1 320.864 2.932 20 0 DFADMP OC1(Cc2ccccc2F)CC[NH+](CCC[NH+]2CCCC2)CC1 ZINC000365852493 429387444 /nfs/dbraw/zinc/38/74/44/429387444.db2.gz KCDSSXHTAMSDCN-UHFFFAOYSA-N 2 1 320.452 2.681 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)C[C@@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449326208 429388502 /nfs/dbraw/zinc/38/85/02/429388502.db2.gz TVMFUEPNFZBWTP-IKGGRYGDSA-N 2 1 309.498 2.522 20 0 DFADMP Cc1cc2c(cc1C)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCS2 ZINC000427618106 429459596 /nfs/dbraw/zinc/45/95/96/429459596.db2.gz MGAFSBUQGABENP-NVXWUHKLSA-N 2 1 320.502 2.887 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c(-c2ccnn2C)c1 ZINC000366488414 429462053 /nfs/dbraw/zinc/46/20/53/429462053.db2.gz IUTJELNKJVMSFV-HXUWFJFHSA-N 2 1 324.472 2.923 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(Cc3cnc([C@@H]4CCCO4)s3)C2)C1 ZINC000366489142 429462668 /nfs/dbraw/zinc/46/26/68/429462668.db2.gz KIFCDQVGQTWPDT-HOCLYGCPSA-N 2 1 307.463 2.522 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366490185 429463935 /nfs/dbraw/zinc/46/39/35/429463935.db2.gz NNKJDIJGIYGTHD-KXBFYZLASA-N 2 1 316.445 2.937 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366490185 429463938 /nfs/dbraw/zinc/46/39/38/429463938.db2.gz NNKJDIJGIYGTHD-KXBFYZLASA-N 2 1 316.445 2.937 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+]1CC[C@]2(CC[NH+](C)C2)C1 ZINC000366490185 429463942 /nfs/dbraw/zinc/46/39/42/429463942.db2.gz NNKJDIJGIYGTHD-KXBFYZLASA-N 2 1 316.445 2.937 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)[NH+]1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000366490185 429463944 /nfs/dbraw/zinc/46/39/44/429463944.db2.gz NNKJDIJGIYGTHD-KXBFYZLASA-N 2 1 316.445 2.937 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccccc2)c2cccs2)CC1 ZINC000518248596 429415624 /nfs/dbraw/zinc/41/56/24/429415624.db2.gz RXWONLZDAJUHTJ-QGZVFWFLSA-N 2 1 315.486 2.826 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC000426771339 429416315 /nfs/dbraw/zinc/41/63/15/429416315.db2.gz BAFYVEXLRMXTPL-IAGOWNOFSA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC000426790884 429416746 /nfs/dbraw/zinc/41/67/46/429416746.db2.gz BXEQHDUWTHHHGB-DOTOQJQBSA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC000426790884 429416752 /nfs/dbraw/zinc/41/67/52/429416752.db2.gz BXEQHDUWTHHHGB-DOTOQJQBSA-N 2 1 309.498 2.628 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000426790884 429416756 /nfs/dbraw/zinc/41/67/56/429416756.db2.gz BXEQHDUWTHHHGB-DOTOQJQBSA-N 2 1 309.498 2.628 20 0 DFADMP C[N@@H+](C[C@@H](O)CNc1ccc(Oc2ccncc2)cc1)C1CC1 ZINC000518365128 429419741 /nfs/dbraw/zinc/41/97/41/429419741.db2.gz BYZPQBYHGXPYSK-INIZCTEOSA-N 2 1 313.401 2.741 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)nc1 ZINC000427106692 429434115 /nfs/dbraw/zinc/43/41/15/429434115.db2.gz GCTMXXNZQLGQFL-FXAWDEMLSA-N 2 1 323.440 2.844 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@H]4C3)cc2)nc1 ZINC000427106692 429434117 /nfs/dbraw/zinc/43/41/17/429434117.db2.gz GCTMXXNZQLGQFL-FXAWDEMLSA-N 2 1 323.440 2.844 20 0 DFADMP CCO[C@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@H]1C ZINC000449503749 429436504 /nfs/dbraw/zinc/43/65/04/429436504.db2.gz PTYCQPCTXIIZGL-KDOFPFPSSA-N 2 1 314.433 2.823 20 0 DFADMP CCO[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C[C@@H]1C ZINC000449503748 429436979 /nfs/dbraw/zinc/43/69/79/429436979.db2.gz PTYCQPCTXIIZGL-KBXCAEBGSA-N 2 1 314.433 2.823 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H](C)c2ccc3c(c2)OCC(=O)N3)CC1 ZINC000519656937 429476118 /nfs/dbraw/zinc/47/61/18/429476118.db2.gz SYCJMVPRLVWFRV-CYBMUJFWSA-N 2 1 317.433 2.543 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000427935924 429478025 /nfs/dbraw/zinc/47/80/25/429478025.db2.gz ZYPDALNUEUXJSL-SFHVURJKSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000492162825 429479967 /nfs/dbraw/zinc/47/99/67/429479967.db2.gz UJYDQOXFRDJKAX-BQLWYNFJSA-N 2 1 321.509 2.607 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCC(C)(C)O2)[C@@H](C)C1 ZINC000427967837 429480525 /nfs/dbraw/zinc/48/05/25/429480525.db2.gz SKUSWNRZCHWUCT-ULQDDVLXSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C1CCC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000449738425 429492794 /nfs/dbraw/zinc/49/27/94/429492794.db2.gz BSGCKLKVMPGWCN-IPELMVKDSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)c1cc(N2CCC[C@H]3C[N@H+](C)CC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000428162111 429495665 /nfs/dbraw/zinc/49/56/65/429495665.db2.gz LZULVJUIUQOPQK-HOCLYGCPSA-N 2 1 317.481 2.587 20 0 DFADMP CC(C)c1cc(N2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)nc(N(C)C)[nH+]1 ZINC000428162111 429495668 /nfs/dbraw/zinc/49/56/68/429495668.db2.gz LZULVJUIUQOPQK-HOCLYGCPSA-N 2 1 317.481 2.587 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)CCN2CCc3ccccc32)CC1 ZINC000428230477 429500748 /nfs/dbraw/zinc/50/07/48/429500748.db2.gz PDIBPNLZZAGMEJ-UHFFFAOYSA-N 2 1 301.478 2.855 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)N1CCC([N@H+]2CCC[C@H]2C)CC1)C(C)C ZINC000366733021 429502622 /nfs/dbraw/zinc/50/26/22/429502622.db2.gz QPSFDDVOYONNRK-IAGOWNOFSA-N 2 1 323.525 2.969 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2CCc3ccccc32)C[C@@H]1C ZINC000428237444 429504084 /nfs/dbraw/zinc/50/40/84/429504084.db2.gz MVVFHMVCHXXQSJ-WMZOPIPTSA-N 2 1 301.478 2.854 20 0 DFADMP COC[C@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000449770653 429504076 /nfs/dbraw/zinc/50/40/76/429504076.db2.gz DHGHZZGLVNXWKR-INIZCTEOSA-N 2 1 314.433 2.824 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2CCc3ccccc32)C[C@@H]1C ZINC000428237444 429504087 /nfs/dbraw/zinc/50/40/87/429504087.db2.gz MVVFHMVCHXXQSJ-WMZOPIPTSA-N 2 1 301.478 2.854 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCN2CCc3ccccc32)C[C@@H]1C ZINC000428237444 429504089 /nfs/dbraw/zinc/50/40/89/429504089.db2.gz MVVFHMVCHXXQSJ-WMZOPIPTSA-N 2 1 301.478 2.854 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCN2CCc3ccccc32)C[C@H]1C ZINC000428237439 429504614 /nfs/dbraw/zinc/50/46/14/429504614.db2.gz MVVFHMVCHXXQSJ-AEFFLSMTSA-N 2 1 301.478 2.854 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCN2CCc3ccccc32)C[C@H]1C ZINC000428237439 429504617 /nfs/dbraw/zinc/50/46/17/429504617.db2.gz MVVFHMVCHXXQSJ-AEFFLSMTSA-N 2 1 301.478 2.854 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCN2CCc3ccccc32)C[C@H]1C ZINC000428237439 429504620 /nfs/dbraw/zinc/50/46/20/429504620.db2.gz MVVFHMVCHXXQSJ-AEFFLSMTSA-N 2 1 301.478 2.854 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)ccc1SC ZINC000366750764 429507193 /nfs/dbraw/zinc/50/71/93/429507193.db2.gz LMHATJDGGONKAH-CQSZACIVSA-N 2 1 317.458 2.966 20 0 DFADMP CCc1nc(C)c(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428375815 429515113 /nfs/dbraw/zinc/51/51/13/429515113.db2.gz CYVCVAJQZRUJTE-GDBMZVCRSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)o1 ZINC000428375815 429515117 /nfs/dbraw/zinc/51/51/17/429515117.db2.gz CYVCVAJQZRUJTE-GDBMZVCRSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)o1 ZINC000428375815 429515121 /nfs/dbraw/zinc/51/51/21/429515121.db2.gz CYVCVAJQZRUJTE-GDBMZVCRSA-N 2 1 303.450 2.994 20 0 DFADMP CCc1nc(C)c(C[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)o1 ZINC000428375815 429515123 /nfs/dbraw/zinc/51/51/23/429515123.db2.gz CYVCVAJQZRUJTE-GDBMZVCRSA-N 2 1 303.450 2.994 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+]C2CCC3(CCCO3)CC2)CCCO1 ZINC000366802436 429516873 /nfs/dbraw/zinc/51/68/73/429516873.db2.gz XTZCEGAPMFVVMQ-WWDZGPRUSA-N 2 1 310.482 2.569 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C2CCC3(CCCO3)CC2)CCCO1 ZINC000366802436 429516878 /nfs/dbraw/zinc/51/68/78/429516878.db2.gz XTZCEGAPMFVVMQ-WWDZGPRUSA-N 2 1 310.482 2.569 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H]3CCC[C@H]4C[C@H]43)C2)nc(C)[nH+]1 ZINC000367032661 429561386 /nfs/dbraw/zinc/56/13/86/429561386.db2.gz BMJXSZSRJRXBBS-NXOAAHMSSA-N 2 1 300.450 2.840 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H]2CCCC23CCOCC3)CC1 ZINC000367090656 429576271 /nfs/dbraw/zinc/57/62/71/429576271.db2.gz BKSLWRAORBRPBL-SFHVURJKSA-N 2 1 324.509 2.815 20 0 DFADMP CC(C)[NH+](CCNC(=O)CC[N@@H+](C)C1CCCCC1)C(C)C ZINC000521141411 429540131 /nfs/dbraw/zinc/54/01/31/429540131.db2.gz JMRGOMRYONGRGX-UHFFFAOYSA-N 2 1 311.514 2.876 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458290695 429615176 /nfs/dbraw/zinc/61/51/76/429615176.db2.gz RZVCUTZRNDDFBM-QGZVFWFLSA-N 2 1 303.450 2.870 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](Cc1nccn1C(F)F)CC2)C1CC1 ZINC000367307972 429616085 /nfs/dbraw/zinc/61/60/85/429616085.db2.gz AMVYLRQNPWOZJB-CYBMUJFWSA-N 2 1 324.419 2.975 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450406403 429619663 /nfs/dbraw/zinc/61/96/63/429619663.db2.gz GFLZRNOJUDLYGZ-YHYXMXQVSA-N 2 1 302.462 2.869 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450406403 429619664 /nfs/dbraw/zinc/61/96/64/429619664.db2.gz GFLZRNOJUDLYGZ-YHYXMXQVSA-N 2 1 302.462 2.869 20 0 DFADMP C[C@@H]1CN(C(=O)C=Cc2c[nH]cn2)[C@H](C)CN1Cc1ccccc1 ZINC000492872674 429633973 /nfs/dbraw/zinc/63/39/73/429633973.db2.gz ZKCOIBJENIQEJS-GUFYHEMZSA-N 2 1 324.428 2.544 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)C=Cc2c[nH]cn2)C1 ZINC000492894555 429639837 /nfs/dbraw/zinc/63/98/37/429639837.db2.gz HDVHRUBATCZUKT-ZJBFNYKTSA-N 2 1 316.449 2.536 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561258 429648692 /nfs/dbraw/zinc/64/86/92/429648692.db2.gz GXKOTHYEMZXSQC-CAMMJAKZSA-N 2 1 304.478 2.813 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561258 429648698 /nfs/dbraw/zinc/64/86/98/429648698.db2.gz GXKOTHYEMZXSQC-CAMMJAKZSA-N 2 1 304.478 2.813 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)[C@@H](C)c2ccccc2)[C@@H](C)C1 ZINC000450561258 429648702 /nfs/dbraw/zinc/64/87/02/429648702.db2.gz GXKOTHYEMZXSQC-CAMMJAKZSA-N 2 1 304.478 2.813 20 0 DFADMP C[C@@H]1CC(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)C[C@@H](C)O1 ZINC000367183375 429593400 /nfs/dbraw/zinc/59/34/00/429593400.db2.gz CHIQXZXLTDAEIB-LLLOQXOTSA-N 2 1 324.509 2.669 20 0 DFADMP O[C@]1(C(F)(F)F)CCC[N@H+](CCC[NH+]2CCCCC2)CC1 ZINC000367240790 429603928 /nfs/dbraw/zinc/60/39/28/429603928.db2.gz XRMUOBFSQBKRRG-CQSZACIVSA-N 2 1 308.388 2.642 20 0 DFADMP O[C@]1(C(F)(F)F)CCC[N@@H+](CCC[NH+]2CCCCC2)CC1 ZINC000367240790 429603932 /nfs/dbraw/zinc/60/39/32/429603932.db2.gz XRMUOBFSQBKRRG-CQSZACIVSA-N 2 1 308.388 2.642 20 0 DFADMP C[C@@H]1C[N@H+](CC2CC[NH+](CC3CC(F)(F)C3)CC2)C[C@H](C)O1 ZINC000450340406 429605151 /nfs/dbraw/zinc/60/51/51/429605151.db2.gz FLJVERLCNLKFKL-OKILXGFUSA-N 2 1 316.436 2.853 20 0 DFADMP C[C@@H]1C[C@H]1c1ccc(CN2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)o1 ZINC000367472804 429656630 /nfs/dbraw/zinc/65/66/30/429656630.db2.gz WBJIXKTWCKNJOP-JFIYKMOQSA-N 2 1 317.477 2.615 20 0 DFADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000362364787 276034640 /nfs/dbraw/zinc/03/46/40/276034640.db2.gz VHFYZVINPFZOCP-CRAIPNDOSA-N 2 1 321.509 2.630 20 0 DFADMP CCc1cc(CCC[N@H+]2CC[C@@H](C)[C@@H](n3ccnc3)C2)on1 ZINC000450586184 429655147 /nfs/dbraw/zinc/65/51/47/429655147.db2.gz BJGVUVZRIUZSAT-PBHICJAKSA-N 2 1 302.422 2.949 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550767 276073026 /nfs/dbraw/zinc/07/30/26/276073026.db2.gz YLLNQEGWHMQAPI-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550767 276073027 /nfs/dbraw/zinc/07/30/27/276073027.db2.gz YLLNQEGWHMQAPI-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550767 276073028 /nfs/dbraw/zinc/07/30/28/276073028.db2.gz YLLNQEGWHMQAPI-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cn(C)nc2-c2cccs2)C1 ZINC000180550767 276073029 /nfs/dbraw/zinc/07/30/29/276073029.db2.gz YLLNQEGWHMQAPI-AWEZNQCLSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCc2nc3ccccc3n2C)C1 ZINC000266642826 276106416 /nfs/dbraw/zinc/10/64/16/276106416.db2.gz VAOHKPXXQFTTOM-INIZCTEOSA-N 2 1 314.477 2.780 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCc2ccc3c(c2)CCO3)C1 ZINC000076002691 276109471 /nfs/dbraw/zinc/10/94/71/276109471.db2.gz KPZNQLHOPVTTGQ-QGZVFWFLSA-N 2 1 302.462 2.828 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000359799669 276110745 /nfs/dbraw/zinc/11/07/45/276110745.db2.gz NACFLYWGMPKBOB-VQIMIIECSA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(C)C[C@H]1C ZINC000359799669 276110746 /nfs/dbraw/zinc/11/07/46/276110746.db2.gz NACFLYWGMPKBOB-VQIMIIECSA-N 2 1 303.494 2.958 20 0 DFADMP CC[N@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000289418211 276123133 /nfs/dbraw/zinc/12/31/33/276123133.db2.gz ISOUDYHVYMXMBZ-UHFFFAOYSA-N 2 1 304.413 2.989 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000289418211 276123134 /nfs/dbraw/zinc/12/31/34/276123134.db2.gz ISOUDYHVYMXMBZ-UHFFFAOYSA-N 2 1 304.413 2.989 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1[C@H]2COC[C@H]21 ZINC000367572395 429673039 /nfs/dbraw/zinc/67/30/39/429673039.db2.gz DRZNJSNFWWSLJZ-NNZMDNLPSA-N 2 1 302.462 2.627 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[N@H+]2CCC[C@@H](CN3CC[NH+](C)CC3)C2)C1 ZINC000378126019 276185075 /nfs/dbraw/zinc/18/50/75/276185075.db2.gz AARGBPUSSBRYQQ-YSIASYRMSA-N 2 1 319.537 2.938 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000357629165 276206945 /nfs/dbraw/zinc/20/69/45/276206945.db2.gz DLHCAKAKZWVCEQ-HOTGVXAUSA-N 2 1 311.514 2.780 20 0 DFADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CC3CCCC3)CC2)[C@@H](C)C1 ZINC000246872479 276216719 /nfs/dbraw/zinc/21/67/19/276216719.db2.gz CPMDHLSJCNPICF-QFBILLFUSA-N 2 1 307.526 2.961 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211858 276224460 /nfs/dbraw/zinc/22/44/60/276224460.db2.gz YPRYQLCKPIILQE-GJZGRUSLSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211858 276224461 /nfs/dbraw/zinc/22/44/61/276224461.db2.gz YPRYQLCKPIILQE-GJZGRUSLSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)C[C@@H]1C ZINC000354211858 276224462 /nfs/dbraw/zinc/22/44/62/276224462.db2.gz YPRYQLCKPIILQE-GJZGRUSLSA-N 2 1 321.440 2.959 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000245412215 276225469 /nfs/dbraw/zinc/22/54/69/276225469.db2.gz AEOXOELXRVYFLG-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000245412215 276225470 /nfs/dbraw/zinc/22/54/70/276225470.db2.gz AEOXOELXRVYFLG-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000245412215 276225471 /nfs/dbraw/zinc/22/54/71/276225471.db2.gz AEOXOELXRVYFLG-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cccc(C(=O)N(C)C)c2)[C@@H](C)C1 ZINC000245412215 276225472 /nfs/dbraw/zinc/22/54/72/276225472.db2.gz AEOXOELXRVYFLG-YJBOKZPZSA-N 2 1 317.477 2.551 20 0 DFADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367623259 429686177 /nfs/dbraw/zinc/68/61/77/429686177.db2.gz VJILDOXWKVEMTE-QRVBRYPASA-N 3 1 301.478 2.711 20 0 DFADMP CN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@H]2CCC[C@@H]21 ZINC000367623259 429686183 /nfs/dbraw/zinc/68/61/83/429686183.db2.gz VJILDOXWKVEMTE-QRVBRYPASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367623259 429686187 /nfs/dbraw/zinc/68/61/87/429686187.db2.gz VJILDOXWKVEMTE-QRVBRYPASA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367623259 429686191 /nfs/dbraw/zinc/68/61/91/429686191.db2.gz VJILDOXWKVEMTE-QRVBRYPASA-N 2 1 301.478 2.711 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000367614381 429686450 /nfs/dbraw/zinc/68/64/50/429686450.db2.gz GYLUXQHLJRBGNM-GVDBMIGSSA-N 2 1 318.461 2.709 20 0 DFADMP CCOC(=O)C[N@H+](CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000125140013 276278819 /nfs/dbraw/zinc/27/88/19/276278819.db2.gz YRGXFRALMHYNET-UHFFFAOYSA-N 2 1 307.438 2.779 20 0 DFADMP CCOC(=O)C[N@@H+](CCCCn1cc[nH+]c1C)C1CCCC1 ZINC000125140013 276278821 /nfs/dbraw/zinc/27/88/21/276278821.db2.gz YRGXFRALMHYNET-UHFFFAOYSA-N 2 1 307.438 2.779 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cnn(Cc3ccccc3)c2)[C@H]2CCC[C@H]21 ZINC000367624630 429687413 /nfs/dbraw/zinc/68/74/13/429687413.db2.gz WJDHYFBHFCSLAU-HSALFYBXSA-N 2 1 324.472 2.894 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000430564302 429691769 /nfs/dbraw/zinc/69/17/69/429691769.db2.gz LKSBCHASIGTPJG-IPYPFGDCSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CCC[N@@H+](CC(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000430564302 429691773 /nfs/dbraw/zinc/69/17/73/429691773.db2.gz LKSBCHASIGTPJG-IPYPFGDCSA-N 2 1 323.868 2.576 20 0 DFADMP CC(=O)c1ccc(NC(=O)CC[N@H+](C)CC[C@H]([NH3+])C(C)C)cc1 ZINC000430586683 429696306 /nfs/dbraw/zinc/69/63/06/429696306.db2.gz WZXBYKNXFVFIAX-KRWDZBQOSA-N 2 1 319.449 2.523 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1cccc(OCC(F)(F)F)c1)C1CC1 ZINC000430593668 429698121 /nfs/dbraw/zinc/69/81/21/429698121.db2.gz FFTDYIGORFANTD-CQSZACIVSA-N 2 1 302.340 2.845 20 0 DFADMP C[N@H+](Cc1cccc(C(=O)N2CCCCC2)c1)CC(C)(C)C[NH3+] ZINC000430598486 429699943 /nfs/dbraw/zinc/69/99/43/429699943.db2.gz OLLNZFMYOPCPFX-UHFFFAOYSA-N 2 1 317.477 2.729 20 0 DFADMP C[N@@H+](Cc1cccc(C(=O)N2CCCCC2)c1)CC(C)(C)C[NH3+] ZINC000430598486 429699946 /nfs/dbraw/zinc/69/99/46/429699946.db2.gz OLLNZFMYOPCPFX-UHFFFAOYSA-N 2 1 317.477 2.729 20 0 DFADMP O=C(CC[N@@H+]1CCC[NH2+]CC1)Nc1ccccc1-c1ccccc1 ZINC000430609238 429700908 /nfs/dbraw/zinc/70/09/08/429700908.db2.gz GVHMFBYPCKYDQL-UHFFFAOYSA-N 2 1 323.440 2.978 20 0 DFADMP O=C(CC[N@H+]1CCC[NH2+]CC1)Nc1ccccc1-c1ccccc1 ZINC000430609238 429700914 /nfs/dbraw/zinc/70/09/14/429700914.db2.gz GVHMFBYPCKYDQL-UHFFFAOYSA-N 2 1 323.440 2.978 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000367689732 429701200 /nfs/dbraw/zinc/70/12/00/429701200.db2.gz RZZAKSGVHQCPEF-MRXNPFEDSA-N 2 1 318.509 2.709 20 0 DFADMP C([NH+]1CCC[C@H]1C1CC1)C1(C[N@H+]2CCC[C@H]2C2CC2)COC1 ZINC000367794168 429718262 /nfs/dbraw/zinc/71/82/62/429718262.db2.gz KYPPRJKTQGFDON-ROUUACIJSA-N 2 1 304.478 2.752 20 0 DFADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)C1CCCCC1 ZINC000482549050 429726863 /nfs/dbraw/zinc/72/68/63/429726863.db2.gz CAGSUESIXXGSAC-QZTJIDSGSA-N 2 1 323.525 2.912 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](CNc2cc[nH+]cc2-c2cccnc2)C1 ZINC000367844452 429727195 /nfs/dbraw/zinc/72/71/95/429727195.db2.gz XBGDFJISKDONSR-INIZCTEOSA-N 2 1 310.445 2.955 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](CCCOc2cccc(C(F)(F)F)c2)C1 ZINC000430965735 429731407 /nfs/dbraw/zinc/73/14/07/429731407.db2.gz LKLBQDVDRHWCBB-GFCCVEGCSA-N 2 1 302.340 2.755 20 0 DFADMP C[NH2+]CC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000430973938 429732142 /nfs/dbraw/zinc/73/21/42/429732142.db2.gz ZNVNUBZURUAXSA-UHFFFAOYSA-N 2 1 309.479 2.543 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCCC[C@@H]2Cc2ccccc2)n1 ZINC000431073134 429739532 /nfs/dbraw/zinc/73/95/32/429739532.db2.gz ILCZFPGJCHQLBR-OAHLLOKOSA-N 2 1 314.433 2.861 20 0 DFADMP CCC[N@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000431065824 429740706 /nfs/dbraw/zinc/74/07/06/429740706.db2.gz KUYMNTPZCODLIN-CHWSQXEVSA-N 2 1 324.469 2.679 20 0 DFADMP CCC[N@@H+](Cc1nc(C(C)(C)[NH3+])no1)[C@@H]1C[C@@H](OCC)C1(C)C ZINC000431065824 429740712 /nfs/dbraw/zinc/74/07/12/429740712.db2.gz KUYMNTPZCODLIN-CHWSQXEVSA-N 2 1 324.469 2.679 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000431084570 429742567 /nfs/dbraw/zinc/74/25/67/429742567.db2.gz LAVDPQKJRGGKDZ-GFCCVEGCSA-N 2 1 320.824 2.906 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CC[C@@H](c3ccc(Cl)cc3)C2)n1 ZINC000431084570 429742572 /nfs/dbraw/zinc/74/25/72/429742572.db2.gz LAVDPQKJRGGKDZ-GFCCVEGCSA-N 2 1 320.824 2.906 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cnc(C(C)(C)C)nc3)C2)CC1 ZINC000368131582 429795916 /nfs/dbraw/zinc/79/59/16/429795916.db2.gz ATLNZIXJKKMBRL-QGZVFWFLSA-N 2 1 316.493 2.938 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368133476 429796205 /nfs/dbraw/zinc/79/62/05/429796205.db2.gz UUYRZMAZWNAYHG-ZDUSSCGKSA-N 2 1 301.438 2.598 20 0 DFADMP C[N@H+](Cc1c[nH]nc1C(C)(C)C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368133476 429796208 /nfs/dbraw/zinc/79/62/08/429796208.db2.gz UUYRZMAZWNAYHG-ZDUSSCGKSA-N 2 1 301.438 2.598 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c(C(C)(C)C)n1 ZINC000368136405 429796470 /nfs/dbraw/zinc/79/64/70/429796470.db2.gz UTIIJTATPCMKMT-MRXNPFEDSA-N 2 1 318.509 2.881 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)ccc1O ZINC000368137202 429797032 /nfs/dbraw/zinc/79/70/32/429797032.db2.gz YEKDLIFLNZIHJS-INIZCTEOSA-N 2 1 304.434 2.565 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)CO3)CC[N@@H+]1Cc1ccccc1 ZINC000527787461 429798638 /nfs/dbraw/zinc/79/86/38/429798638.db2.gz CGCBJMPFOSFRFM-ZTRSQXPZSA-N 2 1 300.446 2.808 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC23CC(C2)CO3)CC[N@H+]1Cc1ccccc1 ZINC000527787461 429798641 /nfs/dbraw/zinc/79/86/41/429798641.db2.gz CGCBJMPFOSFRFM-ZTRSQXPZSA-N 2 1 300.446 2.808 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+](C[C@@H]3CCCCO3)C1)CCCC2 ZINC000432109113 429800328 /nfs/dbraw/zinc/80/03/28/429800328.db2.gz FRTJVNAJVSITGL-HOTGVXAUSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+](C[C@@H]3CCCCO3)C1)CCCC2 ZINC000432109113 429800331 /nfs/dbraw/zinc/80/03/31/429800331.db2.gz FRTJVNAJVSITGL-HOTGVXAUSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CCCCO3)C1)CCCC2 ZINC000432109114 429801060 /nfs/dbraw/zinc/80/10/60/429801060.db2.gz FRTJVNAJVSITGL-HZPDHXFCSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCCCO3)C1)CCCC2 ZINC000432109114 429801062 /nfs/dbraw/zinc/80/10/62/429801062.db2.gz FRTJVNAJVSITGL-HZPDHXFCSA-N 2 1 303.450 2.886 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1CC1 ZINC000451300339 429806065 /nfs/dbraw/zinc/80/60/65/429806065.db2.gz USJKPFIIDGWBID-UBHSHLNASA-N 2 1 308.388 2.542 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH2+][C@H]1CCCC[C@H]1CC(F)(F)F)C1CC1 ZINC000451300339 429806067 /nfs/dbraw/zinc/80/60/67/429806067.db2.gz USJKPFIIDGWBID-UBHSHLNASA-N 2 1 308.388 2.542 20 0 DFADMP Cc1cnn(C)c1CN1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955264 429752532 /nfs/dbraw/zinc/75/25/32/429752532.db2.gz BBIWMINIIHEBMT-RBUKOAKNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955264 429752536 /nfs/dbraw/zinc/75/25/36/429752536.db2.gz BBIWMINIIHEBMT-RBUKOAKNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955264 429752540 /nfs/dbraw/zinc/75/25/40/429752540.db2.gz BBIWMINIIHEBMT-RBUKOAKNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955264 429752545 /nfs/dbraw/zinc/75/25/45/429752545.db2.gz BBIWMINIIHEBMT-RBUKOAKNSA-N 2 1 324.472 2.682 20 0 DFADMP Cc1cnn(C)c1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000367955264 429752548 /nfs/dbraw/zinc/75/25/48/429752548.db2.gz BBIWMINIIHEBMT-RBUKOAKNSA-N 2 1 324.472 2.682 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC1(C)C ZINC000486972868 429757464 /nfs/dbraw/zinc/75/74/64/429757464.db2.gz TYAQPTRHIKCHLA-LPHOPBHVSA-N 2 1 315.505 2.958 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000368010180 429764447 /nfs/dbraw/zinc/76/44/47/429764447.db2.gz ZDKDYUOSIKXYJN-WFASDCNBSA-N 2 1 315.392 2.870 20 0 DFADMP C[N@@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000368015396 429766339 /nfs/dbraw/zinc/76/63/39/429766339.db2.gz CROQZUFXKAGEAM-SFHVURJKSA-N 2 1 313.445 2.645 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](Cc3ccc4occc4c3)CC2)C1 ZINC000368015396 429766343 /nfs/dbraw/zinc/76/63/43/429766343.db2.gz CROQZUFXKAGEAM-SFHVURJKSA-N 2 1 313.445 2.645 20 0 DFADMP CC(C)CC[NH+]1CCC(CNC(=O)C[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000431569276 429769412 /nfs/dbraw/zinc/76/94/12/429769412.db2.gz HCMVMIGWVXXGBL-CALCHBBNSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1)C[NH+]1CCCC1 ZINC000431724963 429779102 /nfs/dbraw/zinc/77/91/02/429779102.db2.gz XWCMKKKYDIZSOR-AEFFLSMTSA-N 2 1 321.509 2.632 20 0 DFADMP c1nc2c([nH]1)CC[C@@H]([NH2+]C1CC[NH+](C3CCCCC3)CC1)C2 ZINC000368087854 429785004 /nfs/dbraw/zinc/78/50/04/429785004.db2.gz COMBUKOILPVRAM-OAHLLOKOSA-N 2 1 302.466 2.654 20 0 DFADMP C[C@H]([NH2+][C@H]1CCc2[nH]cnc2C1)c1cnn(Cc2ccccc2)c1 ZINC000368105359 429788485 /nfs/dbraw/zinc/78/84/85/429788485.db2.gz QULWGBSTVNNBIH-YOEHRIQHSA-N 2 1 321.428 2.863 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)OC)c1 ZINC000527919718 429819551 /nfs/dbraw/zinc/81/95/51/429819551.db2.gz JQVYFAOVYUTYKV-JFTQMJAMSA-N 2 1 306.450 2.701 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415550 429822437 /nfs/dbraw/zinc/82/24/37/429822437.db2.gz NJYHZIKHMJSRNA-CVEARBPZSA-N 2 1 318.461 2.868 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc2c(c1)COC2 ZINC000432415550 429822442 /nfs/dbraw/zinc/82/24/42/429822442.db2.gz NJYHZIKHMJSRNA-CVEARBPZSA-N 2 1 318.461 2.868 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)CC[N@H+]1C ZINC000527943690 429824508 /nfs/dbraw/zinc/82/45/08/429824508.db2.gz BHWPUQUYEHZGEC-AAEUAGOBSA-N 2 1 312.360 2.623 20 0 DFADMP C[C@H]1[C@H](c2ccccc2)C[C@@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000368355580 429836372 /nfs/dbraw/zinc/83/63/72/429836372.db2.gz XWSWFDJPOBSKPN-SXLOBPIMSA-N 2 1 315.505 2.796 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000528019864 429837360 /nfs/dbraw/zinc/83/73/60/429837360.db2.gz UPBGDUFBYCPOKQ-VWAQSERHSA-N 2 1 314.473 2.790 20 0 DFADMP OC1CC(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000528019870 429837748 /nfs/dbraw/zinc/83/77/48/429837748.db2.gz UPBGDUFBYCPOKQ-WKXIVMOISA-N 2 1 314.473 2.790 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4COC4)[C@@H]3C2)cc1 ZINC000528027403 429839464 /nfs/dbraw/zinc/83/94/64/429839464.db2.gz SWKDCIZXVIDWIB-IPMKNSEASA-N 2 1 300.446 2.523 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@H+]2CCCCC1CCOCC1 ZINC000368530469 429862439 /nfs/dbraw/zinc/86/24/39/429862439.db2.gz MRWZXLUFPBHUTA-CEXWTWQISA-N 2 1 324.509 2.767 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1CC12CC2 ZINC000527886536 429814264 /nfs/dbraw/zinc/81/42/64/429814264.db2.gz KYJLESPCABVMNC-QGTPRVQTSA-N 2 1 300.446 2.531 20 0 DFADMP Cc1cccc(N2CCC([NH2+]Cc3cncc(F)c3)CC2)[nH+]1 ZINC000494550965 429879280 /nfs/dbraw/zinc/87/92/80/429879280.db2.gz XLVKDYNMSYVXFD-UHFFFAOYSA-N 2 1 300.381 2.683 20 0 DFADMP CC[NH+]1CCC([N@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528392688 429884351 /nfs/dbraw/zinc/88/43/51/429884351.db2.gz CZMMCJZRGZSIBS-GOSISDBHSA-N 2 1 308.441 2.799 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](Cc2ccc(F)cc2)OC)CC1 ZINC000528392688 429884352 /nfs/dbraw/zinc/88/43/52/429884352.db2.gz CZMMCJZRGZSIBS-GOSISDBHSA-N 2 1 308.441 2.799 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399056 429885301 /nfs/dbraw/zinc/88/53/01/429885301.db2.gz QXWITSIBNIGACW-WMZOPIPTSA-N 2 1 308.441 2.657 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](C[C@H](Cc2ccc(F)cc2)OC)C1 ZINC000528399047 429885606 /nfs/dbraw/zinc/88/56/06/429885606.db2.gz QXWITSIBNIGACW-AEFFLSMTSA-N 2 1 308.441 2.657 20 0 DFADMP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@@H+](C)C3)CC2)c(C)s1 ZINC000369352967 429928808 /nfs/dbraw/zinc/92/88/08/429928808.db2.gz ATCNVWCYVOCKDF-KRWDZBQOSA-N 2 1 307.507 2.577 20 0 DFADMP Cc1cc(C[NH+]2CCN([C@H]3CCC[N@H+](C)C3)CC2)c(C)s1 ZINC000369352967 429928810 /nfs/dbraw/zinc/92/88/10/429928810.db2.gz ATCNVWCYVOCKDF-KRWDZBQOSA-N 2 1 307.507 2.577 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767735 429913868 /nfs/dbraw/zinc/91/38/68/429913868.db2.gz AKLSEQUNIPPJRC-QZTJIDSGSA-N 2 1 320.452 2.849 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC[C@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767735 429913869 /nfs/dbraw/zinc/91/38/69/429913869.db2.gz AKLSEQUNIPPJRC-QZTJIDSGSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC[C@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767735 429913870 /nfs/dbraw/zinc/91/38/70/429913870.db2.gz AKLSEQUNIPPJRC-QZTJIDSGSA-N 2 1 320.452 2.849 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC[C@H](c2cccc(F)c2)C1(C)C)C1CC1 ZINC000528767735 429913871 /nfs/dbraw/zinc/91/38/71/429913871.db2.gz AKLSEQUNIPPJRC-QZTJIDSGSA-N 2 1 320.452 2.849 20 0 DFADMP Cc1nn(C(C)C)cc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000369186891 429917810 /nfs/dbraw/zinc/91/78/10/429917810.db2.gz GCDOVHCYHSJNFJ-KURKYZTESA-N 2 1 302.466 2.689 20 0 DFADMP CC[C@H](c1ccccc1)[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000369352755 429928077 /nfs/dbraw/zinc/92/80/77/429928077.db2.gz AIZMXABJTOSMNO-RTBURBONSA-N 2 1 301.478 2.850 20 0 DFADMP C[C@H](C[C@@H](C)[NH2+]CC1=CC[N@@H+](C)CC1)NC(=O)OC(C)(C)C ZINC000494418803 429871637 /nfs/dbraw/zinc/87/16/37/429871637.db2.gz QXRUQZYYQPEWPQ-ZIAGYGMSSA-N 2 1 311.470 2.530 20 0 DFADMP COc1cc(C)c(C[N@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000573487022 429956064 /nfs/dbraw/zinc/95/60/64/429956064.db2.gz DSVBWTMWWQLLDS-HOCLYGCPSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000573487022 429956068 /nfs/dbraw/zinc/95/60/68/429956068.db2.gz DSVBWTMWWQLLDS-HOCLYGCPSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000573487022 429956072 /nfs/dbraw/zinc/95/60/72/429956072.db2.gz DSVBWTMWWQLLDS-HOCLYGCPSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000573487022 429956077 /nfs/dbraw/zinc/95/60/77/429956077.db2.gz DSVBWTMWWQLLDS-HOCLYGCPSA-N 2 1 306.450 2.784 20 0 DFADMP CC[NH+](CC)Cc1ccc(NC(=O)Cn2c[nH+]cc2C)cc1 ZINC000529131830 429965114 /nfs/dbraw/zinc/96/51/14/429965114.db2.gz IPPOFMNGTGWRKF-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639757266 429970016 /nfs/dbraw/zinc/97/00/16/429970016.db2.gz DILXEHCTWRLDEJ-UHFFFAOYSA-N 2 1 301.434 2.563 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639756273 429970137 /nfs/dbraw/zinc/97/01/37/429970137.db2.gz UMGMGILRHMHIOG-HWKANZROSA-N 2 1 315.461 2.911 20 0 DFADMP CC(C)O[C@@H](C[N@@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766835 429972336 /nfs/dbraw/zinc/97/23/36/429972336.db2.gz PBRCZVJLVCJXRP-RBUKOAKNSA-N 2 1 320.477 2.541 20 0 DFADMP CC(C)O[C@@H](C[N@H+]1CCC[C@@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766835 429972340 /nfs/dbraw/zinc/97/23/40/429972340.db2.gz PBRCZVJLVCJXRP-RBUKOAKNSA-N 2 1 320.477 2.541 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639759631 429973182 /nfs/dbraw/zinc/97/31/82/429973182.db2.gz FEUZHODWZCNKGT-MRXNPFEDSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@@H]([NH2+][C@@H](C[NH3+])C1CCCCC1)c1cccc(-n2ccnn2)c1 ZINC000573711274 429975758 /nfs/dbraw/zinc/97/57/58/429975758.db2.gz ANSOTHRCPAVLTA-KDOFPFPSSA-N 2 1 313.449 2.826 20 0 DFADMP Clc1ccc2nc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)cn2c1 ZINC000369365757 429929666 /nfs/dbraw/zinc/92/96/66/429929666.db2.gz GIIXXJNSQDBHHI-LBPRGKRZSA-N 2 1 315.808 2.536 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)c(C)nc2s1 ZINC000369367007 429931738 /nfs/dbraw/zinc/93/17/38/429931738.db2.gz VBRRQDRSCLMRTO-CYBMUJFWSA-N 2 1 315.446 2.561 20 0 DFADMP CCc1nc(C)c(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)o1 ZINC000639684087 429946062 /nfs/dbraw/zinc/94/60/62/429946062.db2.gz QMQIORNLTVTMQC-UHFFFAOYSA-N 2 1 300.406 2.653 20 0 DFADMP Clc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc2c1OCO2 ZINC000574277510 430028641 /nfs/dbraw/zinc/02/86/41/430028641.db2.gz KZJPBVCWFIVVQT-KGLIPLIRSA-N 2 1 322.836 2.890 20 0 DFADMP CC1(C)Cc2cc(C[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2O1 ZINC000574323066 430031111 /nfs/dbraw/zinc/03/11/11/430031111.db2.gz XYFYHRDKMLLNDW-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3CC[C@]4(C3)CCC[NH2+]C4)ccc2O1 ZINC000574323066 430031117 /nfs/dbraw/zinc/03/11/17/430031117.db2.gz XYFYHRDKMLLNDW-LJQANCHMSA-N 2 1 300.446 2.976 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)NC2CCCC2)CC1 ZINC000639987896 430045580 /nfs/dbraw/zinc/04/55/80/430045580.db2.gz JJBOYLUGCUHEDD-UHFFFAOYSA-N 2 1 321.509 2.776 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000639988449 430046773 /nfs/dbraw/zinc/04/67/73/430046773.db2.gz RTEIHIFJVWAQHL-INIZCTEOSA-N 2 1 312.498 2.503 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990059 /nfs/dbraw/zinc/99/00/59/429990059.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990063 /nfs/dbraw/zinc/99/00/63/429990063.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 2 1 315.505 2.889 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990065 /nfs/dbraw/zinc/99/00/65/429990065.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 2 1 315.505 2.889 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990068 /nfs/dbraw/zinc/99/00/68/429990068.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 2 1 315.505 2.889 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[N@@H+](Cc3ccc(C)cc3)C2)[C@H](C)C1 ZINC000631748959 429990071 /nfs/dbraw/zinc/99/00/71/429990071.db2.gz MCONTTGQWRRCND-RLLQIKCJSA-N 2 1 315.505 2.889 20 0 DFADMP CC1(C)CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000573935419 429996190 /nfs/dbraw/zinc/99/61/90/429996190.db2.gz FNIUHEKYKTULRO-CVEARBPZSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1C[N@H+]([C@@H]2C=CCCCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000559146039 429999450 /nfs/dbraw/zinc/99/94/50/429999450.db2.gz VCGXUGCDWNWZTR-GUDVDZBRSA-N 2 1 305.510 2.833 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](c1ccncc1)C1(CO)CCC1 ZINC000639879313 430008903 /nfs/dbraw/zinc/00/89/03/430008903.db2.gz NYUBPHXPDPFHHS-QGZVFWFLSA-N 2 1 305.466 2.607 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](CO)c1cccc(C(F)(F)F)c1 ZINC000639920692 430022340 /nfs/dbraw/zinc/02/23/40/430022340.db2.gz ZQGVNRLWLUJGBM-CQSZACIVSA-N 2 1 313.323 2.534 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@H]2CCCC[C@@H]12 ZINC000640098785 430087803 /nfs/dbraw/zinc/08/78/03/430087803.db2.gz PPIHIGYYUQMFDG-CEXWTWQISA-N 2 1 311.429 2.998 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@H](O)CN(C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035738 430106276 /nfs/dbraw/zinc/10/62/76/430106276.db2.gz OHGMCASJIRUCRA-NSISKUIASA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035738 430106281 /nfs/dbraw/zinc/10/62/81/430106281.db2.gz OHGMCASJIRUCRA-NSISKUIASA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035738 430106285 /nfs/dbraw/zinc/10/62/85/430106285.db2.gz OHGMCASJIRUCRA-NSISKUIASA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035738 430106289 /nfs/dbraw/zinc/10/62/89/430106289.db2.gz OHGMCASJIRUCRA-NSISKUIASA-N 2 1 316.489 2.957 20 0 DFADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000562035738 430106292 /nfs/dbraw/zinc/10/62/92/430106292.db2.gz OHGMCASJIRUCRA-NSISKUIASA-N 2 1 316.489 2.957 20 0 DFADMP c1cc(C[N@H+]2C[C@@H]3COC[C@@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000634779206 430110290 /nfs/dbraw/zinc/11/02/90/430110290.db2.gz HMDWOLMLZMBSRT-KDURUIRLSA-N 2 1 300.446 2.751 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643556 430064135 /nfs/dbraw/zinc/06/41/35/430064135.db2.gz DRBXLUMTVMLBFA-NJYVYQBISA-N 2 1 322.452 2.769 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2C[C@@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643556 430064139 /nfs/dbraw/zinc/06/41/39/430064139.db2.gz DRBXLUMTVMLBFA-NJYVYQBISA-N 2 1 322.452 2.769 20 0 DFADMP O[C@]1(C[N@@H+]2CCC23CCCC3)CC[NH+](Cc2ccccc2)C1 ZINC000634649531 430064576 /nfs/dbraw/zinc/06/45/76/430064576.db2.gz PBQVQGWFCBNFQE-LJQANCHMSA-N 2 1 300.446 2.642 20 0 DFADMP O[C@]1(C[N@H+]2CCC23CCCC3)CC[NH+](Cc2ccccc2)C1 ZINC000634649531 430064579 /nfs/dbraw/zinc/06/45/79/430064579.db2.gz PBQVQGWFCBNFQE-LJQANCHMSA-N 2 1 300.446 2.642 20 0 DFADMP O[C@]1(C[NH+]2CCC23CCCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000634649531 430064584 /nfs/dbraw/zinc/06/45/84/430064584.db2.gz PBQVQGWFCBNFQE-LJQANCHMSA-N 2 1 300.446 2.642 20 0 DFADMP O[C@]1(C[NH+]2CCC23CCCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000634649531 430064587 /nfs/dbraw/zinc/06/45/87/430064587.db2.gz PBQVQGWFCBNFQE-LJQANCHMSA-N 2 1 300.446 2.642 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C[C@@H](c2ccccc2)[NH+](C)C)C1 ZINC000561074571 430075524 /nfs/dbraw/zinc/07/55/24/430075524.db2.gz UVEATJRAGJRSNM-AEFFLSMTSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)c1cncc(Br)c1)C[NH+](C)C ZINC000580785864 430153259 /nfs/dbraw/zinc/15/32/59/430153259.db2.gz QOTTYDKIEDNXAL-MNOVXSKESA-N 2 1 300.244 2.692 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000562657786 430160954 /nfs/dbraw/zinc/16/09/54/430160954.db2.gz GZDCSTXFOKTTQP-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000562657786 430160959 /nfs/dbraw/zinc/16/09/59/430160959.db2.gz GZDCSTXFOKTTQP-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP CC(C)[NH+]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000562657786 430160966 /nfs/dbraw/zinc/16/09/66/430160966.db2.gz GZDCSTXFOKTTQP-SJLPKXTDSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCC([N@H+](C)C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000637885551 430162117 /nfs/dbraw/zinc/16/21/17/430162117.db2.gz BBGVSCSSMWZMMV-KRWDZBQOSA-N 2 1 301.478 2.929 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)C[C@@H]2CCN(c3ccccc3)C2)CC1 ZINC000637885551 430162121 /nfs/dbraw/zinc/16/21/21/430162121.db2.gz BBGVSCSSMWZMMV-KRWDZBQOSA-N 2 1 301.478 2.929 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](CO)c1ccccc1 ZINC000562675335 430164378 /nfs/dbraw/zinc/16/43/78/430164378.db2.gz AQJNYKSUTPTKQT-IBGZPJMESA-N 2 1 322.412 2.741 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)[C@@H](CO)c1ccccc1 ZINC000562675335 430164382 /nfs/dbraw/zinc/16/43/82/430164382.db2.gz AQJNYKSUTPTKQT-IBGZPJMESA-N 2 1 322.412 2.741 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2c[nH]c3ncncc23)CC1 ZINC000637904636 430168416 /nfs/dbraw/zinc/16/84/16/430168416.db2.gz FFUGOELUUHLDJL-UHFFFAOYSA-N 2 1 315.465 2.853 20 0 DFADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000530694036 430122743 /nfs/dbraw/zinc/12/27/43/430122743.db2.gz KQDSMBHHJADPRY-HIFRSBDPSA-N 2 1 318.465 2.536 20 0 DFADMP COc1ncc(C[NH2+][C@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC000530694036 430122747 /nfs/dbraw/zinc/12/27/47/430122747.db2.gz KQDSMBHHJADPRY-HIFRSBDPSA-N 2 1 318.465 2.536 20 0 DFADMP Cc1ccc2cc[nH+]c(NCCC[N@@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000580643004 430141211 /nfs/dbraw/zinc/14/12/11/430141211.db2.gz QJDANOQZODVMKV-INIZCTEOSA-N 2 1 313.445 3.456 20 0 DFADMP Cc1ccc2cc[nH+]c(NCCC[N@H+]3CCCO[C@@H](C)C3)c2c1 ZINC000580643004 430141213 /nfs/dbraw/zinc/14/12/13/430141213.db2.gz QJDANOQZODVMKV-INIZCTEOSA-N 2 1 313.445 3.456 20 0 DFADMP C[N@@H+](C[C@H]1CCCC[C@@H]1O)C1CCN(CCC(F)(F)F)CC1 ZINC000562554015 430146410 /nfs/dbraw/zinc/14/64/10/430146410.db2.gz OBYGHSWUWZLZAZ-HIFRSBDPSA-N 2 1 322.415 2.886 20 0 DFADMP C[N@@H+](C[C@@H]1CCCC[C@@H]1O)C1CCN(CCC(F)(F)F)CC1 ZINC000562554017 430147895 /nfs/dbraw/zinc/14/78/95/430147895.db2.gz OBYGHSWUWZLZAZ-ZFWWWQNUSA-N 2 1 322.415 2.886 20 0 DFADMP C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563364720 430184291 /nfs/dbraw/zinc/18/42/91/430184291.db2.gz JFKCWQRSMOBFOK-LSDHHAIUSA-N 2 1 321.465 2.795 20 0 DFADMP C[C@H]1CC[C@@H](C(=O)OC(C)(C)C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000563364720 430184297 /nfs/dbraw/zinc/18/42/97/430184297.db2.gz JFKCWQRSMOBFOK-LSDHHAIUSA-N 2 1 321.465 2.795 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC12CC(C1)C[NH2+]2 ZINC000634993022 430185185 /nfs/dbraw/zinc/18/51/85/430185185.db2.gz IZFTZLYHHCJJJJ-XEVCZEQESA-N 2 1 313.489 2.582 20 0 DFADMP C[N@@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000371879946 277053869 /nfs/dbraw/zinc/05/38/69/277053869.db2.gz NFPBNTSOWBQURL-IEBWSBKVSA-N 2 1 317.452 2.525 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000371879946 277053870 /nfs/dbraw/zinc/05/38/70/277053870.db2.gz NFPBNTSOWBQURL-IEBWSBKVSA-N 2 1 317.452 2.525 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(N)=[NH2+])[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000304265047 277073810 /nfs/dbraw/zinc/07/38/10/277073810.db2.gz VBCAVCDSFPUEQS-YPMHNXCESA-N 2 1 314.355 2.571 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000371403952 277074894 /nfs/dbraw/zinc/07/48/94/277074894.db2.gz YPWJFPAPUFYJMD-NEWSRXKRSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000371403952 277074896 /nfs/dbraw/zinc/07/48/96/277074896.db2.gz YPWJFPAPUFYJMD-NEWSRXKRSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000371403952 277074897 /nfs/dbraw/zinc/07/48/97/277074897.db2.gz YPWJFPAPUFYJMD-NEWSRXKRSA-N 2 1 313.445 2.561 20 0 DFADMP CC(=O)Nc1ccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cc1 ZINC000371403952 277074898 /nfs/dbraw/zinc/07/48/98/277074898.db2.gz YPWJFPAPUFYJMD-NEWSRXKRSA-N 2 1 313.445 2.561 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNCC12CC(C1)C[NH2+]2 ZINC000634995370 430188080 /nfs/dbraw/zinc/18/80/80/430188080.db2.gz BXYNJERGVKBYEW-ZRZPHAQCSA-N 2 1 313.489 2.903 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(N(C)c3ccccc3)nc2)C[C@@H]1C[NH3+] ZINC000634998768 430188895 /nfs/dbraw/zinc/18/88/95/430188895.db2.gz KPMPGXSBLMEVQA-RDJZCZTQSA-N 2 1 310.445 2.876 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1C[C@H](C)[C@H](C[NH3+])C1 ZINC000634999001 430189203 /nfs/dbraw/zinc/18/92/03/430189203.db2.gz OLHLFSMCYSJXIS-GXTWGEPZSA-N 2 1 318.852 2.861 20 0 DFADMP CCOc1cccc(C[N@@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1OC(F)F ZINC000635000007 430189538 /nfs/dbraw/zinc/18/95/38/430189538.db2.gz FFMPSTOXQVSMIA-WCQYABFASA-N 2 1 314.376 2.713 20 0 DFADMP CCOc1cccc(C[N@H+]2C[C@H](C)[C@H](C[NH3+])C2)c1OC(F)F ZINC000635000007 430189540 /nfs/dbraw/zinc/18/95/40/430189540.db2.gz FFMPSTOXQVSMIA-WCQYABFASA-N 2 1 314.376 2.713 20 0 DFADMP CCCOc1c(C[N@H+]2C[C@@H](C)[C@@H](C[NH3+])C2)cccc1OCC ZINC000635000446 430189754 /nfs/dbraw/zinc/18/97/54/430189754.db2.gz OKGWZOISWOPYQJ-ZBFHGGJFSA-N 2 1 306.450 2.901 20 0 DFADMP c1cc(CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2c(c1)C[NH2+]CC2 ZINC000635003800 430191487 /nfs/dbraw/zinc/19/14/87/430191487.db2.gz LRZGFUXLBBLMJK-XUVXKRRUSA-N 2 1 313.489 2.733 20 0 DFADMP CCCCOc1cc(C[N@H+]2C[C@H](C)[C@@H](C[NH3+])C2)ccc1OC ZINC000635000791 430191520 /nfs/dbraw/zinc/19/15/20/430191520.db2.gz VRSOXILZGZXRCV-HOCLYGCPSA-N 2 1 306.450 2.901 20 0 DFADMP C[C@@H](CC1CCCCC1)C[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000635000837 430191592 /nfs/dbraw/zinc/19/15/92/430191592.db2.gz WUPNAIBRWNWWOL-WMLDXEAASA-N 2 1 305.470 2.590 20 0 DFADMP C[C@@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)[C@H]1CCC[NH2+]1 ZINC000635003230 430191962 /nfs/dbraw/zinc/19/19/62/430191962.db2.gz ASWKKHMMLZZSEE-NAXVBUTDSA-N 2 1 321.262 2.817 20 0 DFADMP CCC[C@@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530173 430192292 /nfs/dbraw/zinc/19/22/92/430192292.db2.gz AJAVMHSVGVVRRY-SJORKVTESA-N 2 1 311.514 2.878 20 0 DFADMP CN(C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000640531186 430192813 /nfs/dbraw/zinc/19/28/13/430192813.db2.gz HHVJRUQHFKISJA-UHFFFAOYSA-N 2 1 317.477 2.847 20 0 DFADMP CN(C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1)c1ccccc1 ZINC000640531186 430192816 /nfs/dbraw/zinc/19/28/16/430192816.db2.gz HHVJRUQHFKISJA-UHFFFAOYSA-N 2 1 317.477 2.847 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)c2nc(C)nc3c2CCCC3)[C@H](C)C1 ZINC000542020210 430201051 /nfs/dbraw/zinc/20/10/51/430201051.db2.gz UJWJUIHSWIMMQT-DYVFJYSZSA-N 2 1 302.466 2.830 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](CCCc3ccsc3)C2)CC1 ZINC000542101958 430201669 /nfs/dbraw/zinc/20/16/69/430201669.db2.gz BOXYSOFIGUPLDR-GOSISDBHSA-N 2 1 321.534 2.781 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247064 277184178 /nfs/dbraw/zinc/18/41/78/277184178.db2.gz HKNIYCHDYMSUSB-ROUUACIJSA-N 2 1 306.425 2.713 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H](c2ccc(F)cc2)C2CCCC2)C1 ZINC000358247064 277184180 /nfs/dbraw/zinc/18/41/80/277184180.db2.gz HKNIYCHDYMSUSB-ROUUACIJSA-N 2 1 306.425 2.713 20 0 DFADMP CCCC[C@@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000581322520 430199080 /nfs/dbraw/zinc/19/90/80/430199080.db2.gz IZBPUVTZZORZHA-CQSZACIVSA-N 2 1 304.438 2.598 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000565418694 430209649 /nfs/dbraw/zinc/20/96/49/430209649.db2.gz CQXYTGZDVZWYSR-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP Cc1cccc2c1cc[nH+]c2N1CCC([N@H+](C)C[C@H](C)O)CC1 ZINC000565418694 430209655 /nfs/dbraw/zinc/20/96/55/430209655.db2.gz CQXYTGZDVZWYSR-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP CCCc1cc(N2CC[N@@H+]3CCOC[C@H]3C2)c2ccccc2[nH+]1 ZINC000542553730 430218332 /nfs/dbraw/zinc/21/83/32/430218332.db2.gz HTIPQOIPASEIKZ-MRXNPFEDSA-N 2 1 311.429 2.708 20 0 DFADMP CCCc1cc(N2CC[N@H+]3CCOC[C@H]3C2)c2ccccc2[nH+]1 ZINC000542553730 430218336 /nfs/dbraw/zinc/21/83/36/430218336.db2.gz HTIPQOIPASEIKZ-MRXNPFEDSA-N 2 1 311.429 2.708 20 0 DFADMP CO[C@H](C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000374777933 277330964 /nfs/dbraw/zinc/33/09/64/277330964.db2.gz NUXMPRMFQKGVRY-AKHDSKFASA-N 2 1 300.446 2.790 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000374777933 277330965 /nfs/dbraw/zinc/33/09/65/277330965.db2.gz NUXMPRMFQKGVRY-AKHDSKFASA-N 2 1 300.446 2.790 20 0 DFADMP CO[C@H](C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1)c1ccccc1 ZINC000374777933 277330966 /nfs/dbraw/zinc/33/09/66/277330966.db2.gz NUXMPRMFQKGVRY-AKHDSKFASA-N 2 1 300.446 2.790 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c1C ZINC000293004446 277363360 /nfs/dbraw/zinc/36/33/60/277363360.db2.gz PDOKZTHWUVXNMO-GOSISDBHSA-N 2 1 303.450 2.625 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@]3(C2)CCC[N@@H+](C)C3)c1C ZINC000293004446 277363361 /nfs/dbraw/zinc/36/33/61/277363361.db2.gz PDOKZTHWUVXNMO-GOSISDBHSA-N 2 1 303.450 2.625 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CCC3C[NH2+]C3)cc2)C1 ZINC000638063983 430223134 /nfs/dbraw/zinc/22/31/34/430223134.db2.gz QOIOMCPIURSOOS-OAHLLOKOSA-N 2 1 315.461 2.857 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)C3=CC[C@@H]([NH3+])C3)cc2)C1 ZINC000638063609 430224411 /nfs/dbraw/zinc/22/44/11/430224411.db2.gz NMSFKYWVWHSENP-RHSMWYFYSA-N 2 1 313.445 2.905 20 0 DFADMP C[N@H+](Cc1ccc(=O)[nH]c1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000638066186 430224774 /nfs/dbraw/zinc/22/47/74/430224774.db2.gz FECRTSIOBNASJZ-GOSISDBHSA-N 2 1 311.429 2.741 20 0 DFADMP C[NH+](Cc1ccc(=O)[nH]c1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000638066186 430224779 /nfs/dbraw/zinc/22/47/79/430224779.db2.gz FECRTSIOBNASJZ-GOSISDBHSA-N 2 1 311.429 2.741 20 0 DFADMP C[NH+](Cc1ccc(=O)[nH]c1)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000638066186 430224782 /nfs/dbraw/zinc/22/47/82/430224782.db2.gz FECRTSIOBNASJZ-GOSISDBHSA-N 2 1 311.429 2.741 20 0 DFADMP CCO[C@@H]1C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000565520462 430215971 /nfs/dbraw/zinc/21/59/71/430215971.db2.gz XDPQQDLVFCOBIV-XCDZQEORSA-N 2 1 300.446 2.949 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCCCCO)C1 ZINC000638134277 430248483 /nfs/dbraw/zinc/24/84/83/430248483.db2.gz NRUHPEAIDAYRQD-QGZVFWFLSA-N 2 1 320.477 2.612 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccccc2OCCCCO)C1 ZINC000638134277 430248486 /nfs/dbraw/zinc/24/84/86/430248486.db2.gz NRUHPEAIDAYRQD-QGZVFWFLSA-N 2 1 320.477 2.612 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccccc2OCCCCO)C1 ZINC000638134277 430248491 /nfs/dbraw/zinc/24/84/91/430248491.db2.gz NRUHPEAIDAYRQD-QGZVFWFLSA-N 2 1 320.477 2.612 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccccc2OCCCCO)C1 ZINC000638134277 430248495 /nfs/dbraw/zinc/24/84/95/430248495.db2.gz NRUHPEAIDAYRQD-QGZVFWFLSA-N 2 1 320.477 2.612 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[N@@H+]1CCCC[C@@H]1C ZINC000635326312 430255041 /nfs/dbraw/zinc/25/50/41/430255041.db2.gz WRZFVUSZMBJRTP-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[N@H+]1CCCC[C@@H]1C ZINC000635326312 430255044 /nfs/dbraw/zinc/25/50/44/430255044.db2.gz WRZFVUSZMBJRTP-INIZCTEOSA-N 2 1 320.481 2.777 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000635323666 430255221 /nfs/dbraw/zinc/25/52/21/430255221.db2.gz ALJXBTHLXYNOQL-INIZCTEOSA-N 2 1 320.481 2.635 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)NCCCC[N@H+]1CCC[C@H](C)C1 ZINC000635323666 430255223 /nfs/dbraw/zinc/25/52/23/430255223.db2.gz ALJXBTHLXYNOQL-INIZCTEOSA-N 2 1 320.481 2.635 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000635325073 430255918 /nfs/dbraw/zinc/25/59/18/430255918.db2.gz LQGGBTXLSZXWTG-QGZVFWFLSA-N 2 1 321.509 2.633 20 0 DFADMP CCN(CC)c1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cn1 ZINC000635338030 430257438 /nfs/dbraw/zinc/25/74/38/430257438.db2.gz OXBUMMZSCVNLPF-UHFFFAOYSA-N 2 1 320.481 2.522 20 0 DFADMP C[C@H](c1ccc([S@](C)=O)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000566414676 430258618 /nfs/dbraw/zinc/25/86/18/430258618.db2.gz SJWFODYNTVZTHU-PEBXRYMYSA-N 2 1 319.474 2.783 20 0 DFADMP C[C@H](c1ccc([S@](C)=O)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000566414676 430258622 /nfs/dbraw/zinc/25/86/22/430258622.db2.gz SJWFODYNTVZTHU-PEBXRYMYSA-N 2 1 319.474 2.783 20 0 DFADMP C[C@@H](O)CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000542834678 430228753 /nfs/dbraw/zinc/22/87/53/430228753.db2.gz SJVOZGCFDJLRJE-QXCFHYIPSA-N 2 1 302.462 2.648 20 0 DFADMP CN(CCC[N@@H+](C)Cc1ccnc2ccccc12)CC[NH+](C)C ZINC000581694284 430232939 /nfs/dbraw/zinc/23/29/39/430232939.db2.gz LMOWPVZVPAQUKS-UHFFFAOYSA-N 2 1 314.477 2.550 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccnn2CC2CCC2)C[C@H]1C ZINC000638109504 430236423 /nfs/dbraw/zinc/23/64/23/430236423.db2.gz FUWPYWJQXVTZFH-WBVHZDCISA-N 2 1 304.482 2.988 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c3c(nn2C)CCCC3)C[C@H]1C ZINC000638109773 430236638 /nfs/dbraw/zinc/23/66/38/430236638.db2.gz GRCYYOWTQVPMBZ-HUUCEWRRSA-N 2 1 304.482 2.604 20 0 DFADMP C[NH+](C)CCc1ccc(NC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC000635489147 430291606 /nfs/dbraw/zinc/29/16/06/430291606.db2.gz JUHGEKDUGKUYGE-UHFFFAOYSA-N 2 1 305.466 2.707 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000582414440 430297808 /nfs/dbraw/zinc/29/78/08/430297808.db2.gz OFROCXQDYWWFHI-IAGOWNOFSA-N 2 1 302.466 2.822 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N(CC[NH+](C)C)C1CCCCC1 ZINC000635551069 430303805 /nfs/dbraw/zinc/30/38/05/430303805.db2.gz YEWZBTWHCUWMIS-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000638328175 430305059 /nfs/dbraw/zinc/30/50/59/430305059.db2.gz FWTQMWCYCZUKNB-INIZCTEOSA-N 2 1 314.433 2.603 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C)Cc1ccccc1 ZINC000638335891 430307994 /nfs/dbraw/zinc/30/79/94/430307994.db2.gz XMCZLUJPFBQEKS-QAPCUYQASA-N 2 1 301.434 2.675 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]C[C@@H]1CCN(c2ccccc2)C1 ZINC000638336104 430308244 /nfs/dbraw/zinc/30/82/44/430308244.db2.gz YEPLVBBZYVTSMQ-WMZOPIPTSA-N 2 1 312.461 2.944 20 0 DFADMP C[NH+](C)C1(CN[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000582605712 430315705 /nfs/dbraw/zinc/31/57/05/430315705.db2.gz PLSTYVQJUCKKKP-SFHVURJKSA-N 2 1 313.489 2.867 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000638365080 430318166 /nfs/dbraw/zinc/31/81/66/430318166.db2.gz APRWZTBGFJVUPK-BRWVUGGUSA-N 2 1 309.498 2.678 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC1(F)F ZINC000638367194 430318383 /nfs/dbraw/zinc/31/83/83/430318383.db2.gz MTTNQROJQREBCI-YOEHRIQHSA-N 2 1 323.431 2.567 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC1(F)F ZINC000638367191 430318474 /nfs/dbraw/zinc/31/84/74/430318474.db2.gz MTTNQROJQREBCI-PBHICJAKSA-N 2 1 323.431 2.567 20 0 DFADMP C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000638369944 430320239 /nfs/dbraw/zinc/32/02/39/430320239.db2.gz JPCMSJXACAKLMM-XMTFNYHQSA-N 2 1 323.525 2.781 20 0 DFADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638398437 430329680 /nfs/dbraw/zinc/32/96/80/430329680.db2.gz ZIYQZHNUHRGMSQ-AZUAARDMSA-N 2 1 324.472 2.920 20 0 DFADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)cn1 ZINC000638398437 430329683 /nfs/dbraw/zinc/32/96/83/430329683.db2.gz ZIYQZHNUHRGMSQ-AZUAARDMSA-N 2 1 324.472 2.920 20 0 DFADMP C[N@@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000545867368 430329809 /nfs/dbraw/zinc/32/98/09/430329809.db2.gz QOBSLAOWPFWKPY-RTBURBONSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@@](O)(C[NH2+][C@H](c2ccccc2)C2CCCCC2)C1 ZINC000545867368 430329812 /nfs/dbraw/zinc/32/98/12/430329812.db2.gz QOBSLAOWPFWKPY-RTBURBONSA-N 2 1 302.462 2.964 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNCCCc2cnn(C)c2)C1 ZINC000638407296 430333771 /nfs/dbraw/zinc/33/37/71/430333771.db2.gz FGGMHYQLCNXGET-HOTGVXAUSA-N 2 1 306.498 2.699 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638411221 430334402 /nfs/dbraw/zinc/33/44/02/430334402.db2.gz LTWIZGUPAJZCNJ-PKOBYXMFSA-N 2 1 310.445 2.841 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000638411221 430334404 /nfs/dbraw/zinc/33/44/04/430334404.db2.gz LTWIZGUPAJZCNJ-PKOBYXMFSA-N 2 1 310.445 2.841 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545933554 430335651 /nfs/dbraw/zinc/33/56/51/430335651.db2.gz YXBDBEWLBCJSCC-GJZGRUSLSA-N 2 1 322.415 2.886 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545933554 430335654 /nfs/dbraw/zinc/33/56/54/430335654.db2.gz YXBDBEWLBCJSCC-GJZGRUSLSA-N 2 1 322.415 2.886 20 0 DFADMP O=C(NC1CC[NH+](C2CCCC2)CC1)[C@H]1CC[N@H+]1C1CCCC1 ZINC000635651227 430336322 /nfs/dbraw/zinc/33/63/22/430336322.db2.gz IHQLVTUVTMSNJC-GOSISDBHSA-N 2 1 319.493 2.527 20 0 DFADMP CC(C)[N@H+]1CCCC[C@@H]1Cn1cc(-c2cccc(C[NH3+])c2)nn1 ZINC000641170108 430351441 /nfs/dbraw/zinc/35/14/41/430351441.db2.gz WBANKFLGRCZZBX-QGZVFWFLSA-N 2 1 313.449 2.667 20 0 DFADMP Cc1[nH+]ccn1CCCn1cc(C[N@@H+](C)C2CCCCC2)nn1 ZINC000641149773 430344100 /nfs/dbraw/zinc/34/41/00/430344100.db2.gz MHDOEDWSBBSERM-UHFFFAOYSA-N 2 1 316.453 2.638 20 0 DFADMP Cc1[nH+]ccn1CCCn1cc(C[N@H+](C)C2CCCCC2)nn1 ZINC000641149773 430344106 /nfs/dbraw/zinc/34/41/06/430344106.db2.gz MHDOEDWSBBSERM-UHFFFAOYSA-N 2 1 316.453 2.638 20 0 DFADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)C1CC1 ZINC000638447233 430344207 /nfs/dbraw/zinc/34/42/07/430344207.db2.gz HXWRDRVCDQQWHM-YOEHRIQHSA-N 2 1 308.491 2.975 20 0 DFADMP CO[C@@H](C[NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)C1CC1 ZINC000638447233 430344209 /nfs/dbraw/zinc/34/42/09/430344209.db2.gz HXWRDRVCDQQWHM-YOEHRIQHSA-N 2 1 308.491 2.975 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547731738 430416245 /nfs/dbraw/zinc/41/62/45/430416245.db2.gz DIJLAQABUSCHSW-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638720271 430416591 /nfs/dbraw/zinc/41/65/91/430416591.db2.gz HZGOVLGLKNZNRA-UHOSZYNNSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000638720271 430416595 /nfs/dbraw/zinc/41/65/95/430416595.db2.gz HZGOVLGLKNZNRA-UHOSZYNNSA-N 2 1 302.462 2.961 20 0 DFADMP CC(C)(O)C[NH+]1CCC([NH2+][C@@H]2CCCOc3ccccc32)CC1 ZINC000638488886 430357760 /nfs/dbraw/zinc/35/77/60/430357760.db2.gz XHXSGQINEDEYHX-QGZVFWFLSA-N 2 1 318.461 2.725 20 0 DFADMP C[NH+](C)[C@H]1CCC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000547731740 430417061 /nfs/dbraw/zinc/41/70/61/430417061.db2.gz DIJLAQABUSCHSW-RDJZCZTQSA-N 2 1 309.498 2.630 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCCC[C@@H]23)C1 ZINC000583123667 430365112 /nfs/dbraw/zinc/36/51/12/430365112.db2.gz SFKRRVDQQIHIJI-CVYDXHPNSA-N 2 1 302.466 2.663 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@H]([NH2+][C@H]2CC[N@H+]3CCCC[C@@H]23)C1 ZINC000583123667 430365114 /nfs/dbraw/zinc/36/51/14/430365114.db2.gz SFKRRVDQQIHIJI-CVYDXHPNSA-N 2 1 302.466 2.663 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)C1CCCCC1 ZINC000638525853 430368739 /nfs/dbraw/zinc/36/87/39/430368739.db2.gz XSWRCKCLLGGERG-INIZCTEOSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000568531952 430369295 /nfs/dbraw/zinc/36/92/95/430369295.db2.gz UUJPJZIAZFRQNQ-CRAIPNDOSA-N 2 1 310.445 2.958 20 0 DFADMP Cc1ncncc1[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000568531952 430369296 /nfs/dbraw/zinc/36/92/96/430369296.db2.gz UUJPJZIAZFRQNQ-CRAIPNDOSA-N 2 1 310.445 2.958 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1)C1CCCCC1 ZINC000547732632 430417291 /nfs/dbraw/zinc/41/72/91/430417291.db2.gz LQXXAGGMNTYDDX-SFHVURJKSA-N 2 1 321.509 2.728 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+]CCCc2cnn(C)c2)C1 ZINC000638594025 430382765 /nfs/dbraw/zinc/38/27/65/430382765.db2.gz BYJPTUIXPVTZSB-MRXNPFEDSA-N 2 1 306.498 2.843 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)ns2)[C@H](C)C1 ZINC000638595462 430383200 /nfs/dbraw/zinc/38/32/00/430383200.db2.gz SYNZXSSOQUWSEY-CJNGLKHVSA-N 2 1 311.495 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cc(C)ns2)[C@H](C)C1 ZINC000638595462 430383206 /nfs/dbraw/zinc/38/32/06/430383206.db2.gz SYNZXSSOQUWSEY-CJNGLKHVSA-N 2 1 311.495 2.678 20 0 DFADMP CN(C(=O)[C@@H]1C[C@H]1c1cnc[nH]1)C(C)(C)C[NH+]1CCCCCC1 ZINC000635820705 430385876 /nfs/dbraw/zinc/38/58/76/430385876.db2.gz RJXSAVGOPQLYDL-HUUCEWRRSA-N 2 1 318.465 2.626 20 0 DFADMP CN(C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000547429960 430392350 /nfs/dbraw/zinc/39/23/50/430392350.db2.gz PPTDJPIGXOMPSO-INIZCTEOSA-N 2 1 321.465 2.653 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)c1ccco1 ZINC000547429960 430392356 /nfs/dbraw/zinc/39/23/56/430392356.db2.gz PPTDJPIGXOMPSO-INIZCTEOSA-N 2 1 321.465 2.653 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)c1ccco1 ZINC000547429960 430392361 /nfs/dbraw/zinc/39/23/61/430392361.db2.gz PPTDJPIGXOMPSO-INIZCTEOSA-N 2 1 321.465 2.653 20 0 DFADMP O=C(C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Nc1ccc(Cl)cc1 ZINC000568856587 430398825 /nfs/dbraw/zinc/39/88/25/430398825.db2.gz ZCXMSDVBQMRJDJ-ARFHVFGLSA-N 2 1 321.852 2.789 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)CC[C@@H]1CCCC[NH+]1C ZINC000583518659 430403555 /nfs/dbraw/zinc/40/35/55/430403555.db2.gz GWNGPXVTFYZMPM-DLBZAZTESA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1CC)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000583518659 430403559 /nfs/dbraw/zinc/40/35/59/430403559.db2.gz GWNGPXVTFYZMPM-DLBZAZTESA-N 2 1 309.498 2.584 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1CC)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000583518659 430403563 /nfs/dbraw/zinc/40/35/63/430403563.db2.gz GWNGPXVTFYZMPM-DLBZAZTESA-N 2 1 309.498 2.584 20 0 DFADMP C[N@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568891325 430404032 /nfs/dbraw/zinc/40/40/32/430404032.db2.gz SGQCCHOXCYODNO-UHFFFAOYSA-N 2 1 312.461 2.985 20 0 DFADMP C[N@@H+](Cc1cc(C(C)(C)C)n[nH]1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568891325 430404036 /nfs/dbraw/zinc/40/40/36/430404036.db2.gz SGQCCHOXCYODNO-UHFFFAOYSA-N 2 1 312.461 2.985 20 0 DFADMP COc1cc(C[NH+](C)C)ccc1NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000636013764 430438234 /nfs/dbraw/zinc/43/82/34/430438234.db2.gz VZCCNQJSAJGJSE-UHFFFAOYSA-N 2 1 321.465 2.673 20 0 DFADMP C[C@H]1C[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)CC[N@H+]1C ZINC000548060383 430441967 /nfs/dbraw/zinc/44/19/67/430441967.db2.gz WGHYGWIDVNSQDB-RDJZCZTQSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@H]1C[C@@H](N(C)C(=O)CC[N@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548060383 430441970 /nfs/dbraw/zinc/44/19/70/430441970.db2.gz WGHYGWIDVNSQDB-RDJZCZTQSA-N 2 1 309.498 2.582 20 0 DFADMP C[C@H]1C[C@@H](N(C)C(=O)CC[N@@H+](C)C2CCCCC2)CC[NH+]1C ZINC000548060383 430441972 /nfs/dbraw/zinc/44/19/72/430441972.db2.gz WGHYGWIDVNSQDB-RDJZCZTQSA-N 2 1 309.498 2.582 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCc2ccccc2[C@H]1c1ccccc1 ZINC000583942554 430444013 /nfs/dbraw/zinc/44/40/13/430444013.db2.gz IBLFZRMYJBNZHN-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000583942554 430444017 /nfs/dbraw/zinc/44/40/17/430444017.db2.gz IBLFZRMYJBNZHN-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1CCc2ccccc2[C@H]1c1ccccc1 ZINC000583942554 430444023 /nfs/dbraw/zinc/44/40/23/430444023.db2.gz IBLFZRMYJBNZHN-PZJWPPBQSA-N 2 1 324.468 2.947 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641702934 430444895 /nfs/dbraw/zinc/44/48/95/430444895.db2.gz DNDAJKHPMWBMAG-CYBMUJFWSA-N 2 1 302.422 2.623 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641702934 430444900 /nfs/dbraw/zinc/44/49/00/430444900.db2.gz DNDAJKHPMWBMAG-CYBMUJFWSA-N 2 1 302.422 2.623 20 0 DFADMP C[C@H](CNC(=O)[C@H]1CCCCCC[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000569357738 430447935 /nfs/dbraw/zinc/44/79/35/430447935.db2.gz ZQJWRZOQRARZAL-WCXIOVBPSA-N 2 1 309.498 2.521 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+]Cc2ccncc2N)CC1 ZINC000641708151 430448617 /nfs/dbraw/zinc/44/86/17/430448617.db2.gz PLGNRVCHIGCFPM-UHFFFAOYSA-N 2 1 310.445 2.726 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])[N@H+]1CCC[C@@H](C)C1 ZINC000569357736 430448612 /nfs/dbraw/zinc/44/86/12/430448612.db2.gz ZQJWRZOQRARZAL-QBPKDAKJSA-N 2 1 309.498 2.521 20 0 DFADMP Nc1cnccc1C[NH2+]C[C@H]1CCC[N@H+](Cc2cccs2)C1 ZINC000641713393 430450187 /nfs/dbraw/zinc/45/01/87/430450187.db2.gz SMRZRVSHQZWRDS-CQSZACIVSA-N 2 1 316.474 2.727 20 0 DFADMP Nc1cnccc1C[NH2+]C[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000641713393 430450192 /nfs/dbraw/zinc/45/01/92/430450192.db2.gz SMRZRVSHQZWRDS-CQSZACIVSA-N 2 1 316.474 2.727 20 0 DFADMP CCn1cc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c(-c2ccccc2)n1 ZINC000641712545 430450909 /nfs/dbraw/zinc/45/09/09/430450909.db2.gz GHKNJQRINOFEPO-QGZVFWFLSA-N 2 1 321.428 2.871 20 0 DFADMP C[C@@H](NCC[N@H+]1CC[C@@H](C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000548155708 430453042 /nfs/dbraw/zinc/45/30/42/430453042.db2.gz CIFXJNPMUVZGDX-GGPKGHCWSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H](NCC[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000548155708 430453044 /nfs/dbraw/zinc/45/30/44/430453044.db2.gz CIFXJNPMUVZGDX-GGPKGHCWSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H](NCC[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000548155708 430453050 /nfs/dbraw/zinc/45/30/50/430453050.db2.gz CIFXJNPMUVZGDX-GGPKGHCWSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1N ZINC000641733975 430455421 /nfs/dbraw/zinc/45/54/21/430455421.db2.gz WEYWFWNOOUIPOW-KXBFYZLASA-N 2 1 310.445 2.664 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccncc1N ZINC000641733975 430455425 /nfs/dbraw/zinc/45/54/25/430455425.db2.gz WEYWFWNOOUIPOW-KXBFYZLASA-N 2 1 310.445 2.664 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1 ZINC000638895205 430469138 /nfs/dbraw/zinc/46/91/38/430469138.db2.gz SQRNPBHEDIAZSU-MAUKXSAKSA-N 2 1 317.477 2.585 20 0 DFADMP Cc1cnccc1CC[N@@H+](C[C@H]1CCCO1)[C@H]1CCSC1 ZINC000584348322 430476230 /nfs/dbraw/zinc/47/62/30/430476230.db2.gz MALUJLPHSMTBFC-DLBZAZTESA-N 2 1 306.475 2.919 20 0 DFADMP CCc1[nH+]ccn1C[C@H]1CCCN1C(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000548453274 430476958 /nfs/dbraw/zinc/47/69/58/430476958.db2.gz MOJYRFSQHLSHDP-LSDHHAIUSA-N 2 1 320.481 2.603 20 0 DFADMP CC1(C)[C@H]([NH2+]CC(=O)Nc2cc(Cl)ccc2Cl)C[C@@H]1[NH3+] ZINC000641806945 430477668 /nfs/dbraw/zinc/47/76/68/430477668.db2.gz SRDPEKPALPJIHS-NWDGAFQWSA-N 2 1 316.232 2.647 20 0 DFADMP CC1(C)[C@H]([NH2+]Cc2cccc(C(=O)N3CCCCC3)c2)C[C@@H]1[NH3+] ZINC000641806496 430477903 /nfs/dbraw/zinc/47/79/03/430477903.db2.gz PTMACEXRLMEUGR-DLBZAZTESA-N 2 1 315.461 2.528 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cccc2ccccc21 ZINC000641805125 430478006 /nfs/dbraw/zinc/47/80/06/430478006.db2.gz LYMXTYBOIONQPG-VUCTXSBTSA-N 2 1 311.429 2.882 20 0 DFADMP CCC[C@H](NC(=O)[C@H](C)[NH2+][C@@H]1C[C@H]([NH3+])C1(C)C)c1ccccc1 ZINC000641804378 430478087 /nfs/dbraw/zinc/47/80/87/430478087.db2.gz IBIYFWDRYDLJGR-QSPRXWTASA-N 2 1 317.477 2.748 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])C1(C)C)C(=O)Nc1ccc(F)cc1Cl ZINC000641805166 430478251 /nfs/dbraw/zinc/47/82/51/430478251.db2.gz MOLPBJJBDZYDCX-HJIKLVIJSA-N 2 1 313.804 2.522 20 0 DFADMP CC1(C)[C@@H]([NH3+])C[C@@H]1[NH2+]Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000641806498 430478605 /nfs/dbraw/zinc/47/86/05/430478605.db2.gz PTMACEXRLMEUGR-IRXDYDNUSA-N 2 1 315.461 2.528 20 0 DFADMP FC(F)c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000569816361 430488755 /nfs/dbraw/zinc/48/87/55/430488755.db2.gz ZXOUTFITXQPFGF-UHFFFAOYSA-N 2 1 323.431 2.930 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@H](C)[N@H+](C)C[C@H]2C)c2ccccn21 ZINC000569817354 430489062 /nfs/dbraw/zinc/48/90/62/430489062.db2.gz KTCWRBDTAZOFKR-LSDHHAIUSA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@H](C)[N@@H+](C)C[C@H]2C)c2ccccn21 ZINC000569817354 430489064 /nfs/dbraw/zinc/48/90/64/430489064.db2.gz KTCWRBDTAZOFKR-LSDHHAIUSA-N 2 1 300.450 2.982 20 0 DFADMP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@@H+](C)[C@H](C)C3)c2)CC1 ZINC000639057341 430506576 /nfs/dbraw/zinc/50/65/76/430506576.db2.gz MUJISZUWOINFBB-AEFFLSMTSA-N 2 1 316.493 2.723 20 0 DFADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H](CN(C)Cc2cccnc2)C1)OC ZINC000639080343 430515408 /nfs/dbraw/zinc/51/54/08/430515408.db2.gz LGJLKGHOBFJTGJ-UHOSZYNNSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@H](C[N@@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080343 430515410 /nfs/dbraw/zinc/51/54/10/430515410.db2.gz LGJLKGHOBFJTGJ-UHOSZYNNSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@H](C[N@H+]1CC[C@H](C[NH+](C)Cc2cccnc2)C1)OC ZINC000639080343 430515414 /nfs/dbraw/zinc/51/54/14/430515414.db2.gz LGJLKGHOBFJTGJ-UHOSZYNNSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H](C[N@H+](C)Cc2cccnc2)C1)OC ZINC000639080343 430515417 /nfs/dbraw/zinc/51/54/17/430515417.db2.gz LGJLKGHOBFJTGJ-UHOSZYNNSA-N 2 1 319.493 2.896 20 0 DFADMP CC[C@H](C)[C@H](C[NH+]1CC[C@H](C[N@@H+](C)Cc2cccnc2)C1)OC ZINC000639080343 430515421 /nfs/dbraw/zinc/51/54/21/430515421.db2.gz LGJLKGHOBFJTGJ-UHOSZYNNSA-N 2 1 319.493 2.896 20 0 DFADMP CO[C@H](C[NH2+][C@@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1)CC(C)C ZINC000642685560 430524806 /nfs/dbraw/zinc/52/48/06/430524806.db2.gz LFNASNJSHATCOY-SJORKVTESA-N 2 1 320.481 2.713 20 0 DFADMP CO[C@@](C)(C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000639117500 430531759 /nfs/dbraw/zinc/53/17/59/430531759.db2.gz GYIXCJSKWIYEKO-HKUYNNGSSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]1CC[N@H+](CCC[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000570329528 430533481 /nfs/dbraw/zinc/53/34/81/430533481.db2.gz QFQAQXDHNMZWDP-JKSUJKDBSA-N 2 1 310.482 2.772 20 0 DFADMP C[C@H]1CC[N@@H+](CCC[NH+]2CCCC2)C[C@H]1C(=O)OC(C)(C)C ZINC000570329528 430533485 /nfs/dbraw/zinc/53/34/85/430533485.db2.gz QFQAQXDHNMZWDP-JKSUJKDBSA-N 2 1 310.482 2.772 20 0 DFADMP CO[C@@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1ccccc1 ZINC000639125682 430533988 /nfs/dbraw/zinc/53/39/88/430533988.db2.gz ZIPAWXGVQYWHNC-CTWPCTMYSA-N 2 1 302.462 2.851 20 0 DFADMP O=c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162533 430549858 /nfs/dbraw/zinc/54/98/58/430549858.db2.gz SPLKCLZHNGXBCQ-HXUWFJFHSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162533 430549860 /nfs/dbraw/zinc/54/98/60/430549860.db2.gz SPLKCLZHNGXBCQ-HXUWFJFHSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162533 430549862 /nfs/dbraw/zinc/54/98/62/430549862.db2.gz SPLKCLZHNGXBCQ-HXUWFJFHSA-N 2 1 323.440 2.885 20 0 DFADMP O=c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](Cc4ccccc4)C3)C2)c[nH]1 ZINC000639162533 430549865 /nfs/dbraw/zinc/54/98/65/430549865.db2.gz SPLKCLZHNGXBCQ-HXUWFJFHSA-N 2 1 323.440 2.885 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639173060 430553082 /nfs/dbraw/zinc/55/30/82/430553082.db2.gz SORCOMQFYCRXAQ-YTQUADARSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)C1CC1 ZINC000639173060 430553085 /nfs/dbraw/zinc/55/30/85/430553085.db2.gz SORCOMQFYCRXAQ-YTQUADARSA-N 2 1 300.446 2.715 20 0 DFADMP Cc1ncc([C@H](C)[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177355 430555214 /nfs/dbraw/zinc/55/52/14/430555214.db2.gz SHGPUKJZZBTCEM-YOEHRIQHSA-N 2 1 302.466 2.818 20 0 DFADMP C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178950 430557848 /nfs/dbraw/zinc/55/78/48/430557848.db2.gz PVAUKOLACXXNGK-WSTZPKSXSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178950 430557852 /nfs/dbraw/zinc/55/78/52/430557852.db2.gz PVAUKOLACXXNGK-WSTZPKSXSA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C[C@@H]2CCN(c3ccccc3)C2)C1 ZINC000639178950 430557857 /nfs/dbraw/zinc/55/78/57/430557857.db2.gz PVAUKOLACXXNGK-WSTZPKSXSA-N 2 1 313.489 2.929 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)CC2 ZINC000639177834 430558667 /nfs/dbraw/zinc/55/86/67/430558667.db2.gz HKGXEMWMHMECEK-XOKHGSTOSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([N@@H+](C)[C@H]1CC[NH+](C)C[C@H]1C)CC2 ZINC000639177834 430558671 /nfs/dbraw/zinc/55/86/71/430558671.db2.gz HKGXEMWMHMECEK-XOKHGSTOSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@H]1CC[N@H+](C)C[C@H]1C)CC2 ZINC000639177834 430558673 /nfs/dbraw/zinc/55/86/73/430558673.db2.gz HKGXEMWMHMECEK-XOKHGSTOSA-N 2 1 318.461 2.963 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH+](C)[C@H]1CC[N@@H+](C)C[C@H]1C)CC2 ZINC000639177834 430558677 /nfs/dbraw/zinc/55/86/77/430558677.db2.gz HKGXEMWMHMECEK-XOKHGSTOSA-N 2 1 318.461 2.963 20 0 DFADMP C[NH+]1CCC(N(Cc2ccccc2)Cc2ccc(=O)[nH]c2)CC1 ZINC000639180045 430558886 /nfs/dbraw/zinc/55/88/86/430558886.db2.gz XDPRBVOBTKRTKW-UHFFFAOYSA-N 2 1 311.429 2.884 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC2(C)C)c2cccs2)CC1 ZINC000551792959 430564330 /nfs/dbraw/zinc/56/43/30/430564330.db2.gz CSSUTYOMPJFQCN-GDBMZVCRSA-N 2 1 307.507 2.815 20 0 DFADMP C[N@@H+](CCCC[NH2+]C[C@@H]1CCN(c2ccccc2)C1)C1CC1 ZINC000639244915 430586673 /nfs/dbraw/zinc/58/66/73/430586673.db2.gz QGYGDPBVCKBOKR-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639249674 430588404 /nfs/dbraw/zinc/58/84/04/430588404.db2.gz KVZOMVPITHTFQM-NXWXRZEISA-N 2 1 300.446 2.858 20 0 DFADMP O[C@@H]1CCC[C@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639249674 430588406 /nfs/dbraw/zinc/58/84/06/430588406.db2.gz KVZOMVPITHTFQM-NXWXRZEISA-N 2 1 300.446 2.858 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000639257687 430590515 /nfs/dbraw/zinc/59/05/15/430590515.db2.gz QNGNOFGMLCOVOR-QZTJIDSGSA-N 2 1 301.478 2.834 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](C[C@@H]3C[C@H]3c3ccccc3)CC2)C1 ZINC000643374887 430595182 /nfs/dbraw/zinc/59/51/82/430595182.db2.gz YPYTUFNPRRRALY-UFYCRDLUSA-N 2 1 313.489 2.502 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]Cc2ccc(=O)[nH]c2)[C@H]1c1ccccc1 ZINC000639154718 430546478 /nfs/dbraw/zinc/54/64/78/430546478.db2.gz CZUOVRMHULCEHW-IEBWSBKVSA-N 2 1 311.429 2.960 20 0 DFADMP COc1ccc(COCC[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000643064216 430547178 /nfs/dbraw/zinc/54/71/78/430547178.db2.gz XLPGSNNYAFOHBL-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP C[C@H]([NH2+][C@H](C[NH3+])C1CCCC1)c1cccc(N2CCOCC2)c1 ZINC000571753779 430650695 /nfs/dbraw/zinc/65/06/95/430650695.db2.gz FFBHELPDBJPSAE-HNAYVOBHSA-N 2 1 317.477 2.691 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000554886003 430653544 /nfs/dbraw/zinc/65/35/44/430653544.db2.gz JHNBYMIEUWTTAE-RDTXWAMCSA-N 2 1 316.424 2.783 20 0 DFADMP C[C@@H]1CN(C)CC[C@H]1[N@@H+](C)Cc1cnn(-c2ccc(F)cc2)c1 ZINC000554886003 430653546 /nfs/dbraw/zinc/65/35/46/430653546.db2.gz JHNBYMIEUWTTAE-RDTXWAMCSA-N 2 1 316.424 2.783 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@H+](C)Cc1ccc(Br)cn1 ZINC000554886008 430653715 /nfs/dbraw/zinc/65/37/15/430653715.db2.gz JILJKZZKUHZBOR-RISCZKNCSA-N 2 1 312.255 2.616 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[N@@H+](C)Cc1ccc(Br)cn1 ZINC000554886008 430653718 /nfs/dbraw/zinc/65/37/18/430653718.db2.gz JILJKZZKUHZBOR-RISCZKNCSA-N 2 1 312.255 2.616 20 0 DFADMP CCc1cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)on1 ZINC000643457182 430603789 /nfs/dbraw/zinc/60/37/89/430603789.db2.gz ASGMYGCHOGCBPW-FUHWJXTLSA-N 2 1 313.401 2.583 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@H]([NH3+])C[C@@H]2C)cc1)C1CC1 ZINC000571101780 430603889 /nfs/dbraw/zinc/60/38/89/430603889.db2.gz CSLSMLYPMLIFHI-YOEHRIQHSA-N 2 1 315.461 2.623 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(C(=O)C3CCCC3)C2)c2ccccc21 ZINC000643463339 430604888 /nfs/dbraw/zinc/60/48/88/430604888.db2.gz ZHCBEJFZZLVHHX-BMGDILEWSA-N 2 1 313.445 2.512 20 0 DFADMP CCOc1ccc2c(c1)[C@H]([NH2+][C@H](C)[C@@H]1CCC[NH2+]C1)CCO2 ZINC000643482355 430606873 /nfs/dbraw/zinc/60/68/73/430606873.db2.gz ANSMNXYUVCDHNT-CKEIUWERSA-N 2 1 304.434 2.887 20 0 DFADMP C[C@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000643496522 430609136 /nfs/dbraw/zinc/60/91/36/430609136.db2.gz VPMLFKFSQYILBS-ZDUSSCGKSA-N 2 1 301.434 2.884 20 0 DFADMP COCCC[C@H]([NH2+]C[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643526952 430612797 /nfs/dbraw/zinc/61/27/97/430612797.db2.gz BKXYGUZRIGKWJI-RISCZKNCSA-N 2 1 315.255 2.854 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)c1ccc(-n2cncn2)cc1Cl ZINC000643521891 430613053 /nfs/dbraw/zinc/61/30/53/430613053.db2.gz DZAXCDHQMOZUHY-CHWSQXEVSA-N 2 1 319.840 2.713 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523120 430613508 /nfs/dbraw/zinc/61/35/08/430613508.db2.gz WXFYGLRHSHZXGY-YSTOQKLRSA-N 2 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523120 430613511 /nfs/dbraw/zinc/61/35/11/430613511.db2.gz WXFYGLRHSHZXGY-YSTOQKLRSA-N 3 1 313.489 2.914 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)C3)cc1 ZINC000643523120 430613513 /nfs/dbraw/zinc/61/35/13/430613513.db2.gz WXFYGLRHSHZXGY-YSTOQKLRSA-N 3 1 313.489 2.914 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000639360403 430620297 /nfs/dbraw/zinc/62/02/97/430620297.db2.gz WYHXCCXIYMBZTN-XWPNQZOQSA-N 2 1 314.473 2.912 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639389553 430630723 /nfs/dbraw/zinc/63/07/23/430630723.db2.gz KVZOMVPITHTFQM-LULLPPNCSA-N 2 1 300.446 2.858 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639389553 430630727 /nfs/dbraw/zinc/63/07/27/430630727.db2.gz KVZOMVPITHTFQM-LULLPPNCSA-N 2 1 300.446 2.858 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[C@H](C)O ZINC000571561132 430636484 /nfs/dbraw/zinc/63/64/84/430636484.db2.gz UBMSTAXLKLMHEA-SZMVWBNQSA-N 2 1 302.462 2.933 20 0 DFADMP CC[C@H]([NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[C@H](C)O ZINC000571561132 430636485 /nfs/dbraw/zinc/63/64/85/430636485.db2.gz UBMSTAXLKLMHEA-SZMVWBNQSA-N 2 1 302.462 2.933 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000571551755 430637117 /nfs/dbraw/zinc/63/71/17/430637117.db2.gz ISYWYXXWKBLHSD-ZHALLVOQSA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCC[C@@H](c2ccccc2)C1)C1CC1 ZINC000571551755 430637119 /nfs/dbraw/zinc/63/71/19/430637119.db2.gz ISYWYXXWKBLHSD-ZHALLVOQSA-N 2 1 302.462 2.758 20 0 DFADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571641153 430643620 /nfs/dbraw/zinc/64/36/20/430643620.db2.gz DJMYSNZWSFERHB-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP CCC[C@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000571641153 430643623 /nfs/dbraw/zinc/64/36/23/430643623.db2.gz DJMYSNZWSFERHB-ROUUACIJSA-N 2 1 302.462 2.934 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000555377747 430666312 /nfs/dbraw/zinc/66/63/12/430666312.db2.gz UOWPABCQAGVOJG-OALUTQOASA-N 2 1 305.510 2.976 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)Cc2cnc[nH]2)c(C[NH+](C)C)c1 ZINC000572176739 430674940 /nfs/dbraw/zinc/67/49/40/430674940.db2.gz IRBJXHDIDNHHEY-ZDUSSCGKSA-N 2 1 300.406 2.597 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094038 430678853 /nfs/dbraw/zinc/67/88/53/430678853.db2.gz OPALQFZZWXGXBS-YOEHRIQHSA-N 2 1 304.434 2.856 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000572359233 430683416 /nfs/dbraw/zinc/68/34/16/430683416.db2.gz AEEIBZAFTFOGRU-MSOLQXFVSA-N 2 1 323.525 2.863 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@@H+]1C ZINC000360932927 278030179 /nfs/dbraw/zinc/03/01/79/278030179.db2.gz HSWPBTVOYPRVDJ-KFWWJZLASA-N 2 1 304.482 2.568 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3nc(C(C)(C)C)cn3C2)CC[N@H+]1C ZINC000360932927 278030180 /nfs/dbraw/zinc/03/01/80/278030180.db2.gz HSWPBTVOYPRVDJ-KFWWJZLASA-N 2 1 304.482 2.568 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000249069800 278229313 /nfs/dbraw/zinc/22/93/13/278229313.db2.gz QHELQHLETSKYQJ-JYJNAYRXSA-N 2 1 317.477 2.661 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@@H+]2CCC[C@@H]2CO1)C(C)(C)c1ccccc1 ZINC000360889817 278262586 /nfs/dbraw/zinc/26/25/86/278262586.db2.gz VCTJAOAWJKFUJO-CGTJXYLNSA-N 2 1 302.462 2.806 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1C[N@H+]2CCC[C@@H]2CO1)C(C)(C)c1ccccc1 ZINC000360889817 278262589 /nfs/dbraw/zinc/26/25/89/278262589.db2.gz VCTJAOAWJKFUJO-CGTJXYLNSA-N 2 1 302.462 2.806 20 0 DFADMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1ccc(C)cc1 ZINC000572834341 430697398 /nfs/dbraw/zinc/69/73/98/430697398.db2.gz FHJCQKUGNFDQID-MRXNPFEDSA-N 2 1 313.449 2.821 20 0 DFADMP C[NH+](C)CCC[C@H]1CN(c2cc[nH+]c3ccsc32)CCO1 ZINC000664656085 430716642 /nfs/dbraw/zinc/71/66/42/430716642.db2.gz DNTBNQYXUJCISJ-ZDUSSCGKSA-N 2 1 305.447 2.843 20 0 DFADMP CCCc1cccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c1 ZINC000657752247 430725087 /nfs/dbraw/zinc/72/50/87/430725087.db2.gz OEXUSGCRSYSBAQ-IBGZPJMESA-N 2 1 302.462 2.982 20 0 DFADMP CCCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000657752886 430725448 /nfs/dbraw/zinc/72/54/48/430725448.db2.gz WDHDJFLAWUKUEI-LJQANCHMSA-N 2 1 302.462 2.982 20 0 DFADMP Fc1ccc2oc(CNC3CC[NH+]([C@H]4CCOC4)CC3)cc2c1 ZINC000657750988 430725940 /nfs/dbraw/zinc/72/59/40/430725940.db2.gz MJGDBUYBVHIWFP-INIZCTEOSA-N 2 1 318.392 2.915 20 0 DFADMP Fc1ccc(/C=C\C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)c(F)c1 ZINC000657751208 430726275 /nfs/dbraw/zinc/72/62/75/430726275.db2.gz HBCLPTYBNKOOAH-YYZONTRBSA-N 2 1 322.399 2.821 20 0 DFADMP Cc1csc(CNC[C@H](O)C[N@@H+](C)Cc2ccccc2)c1 ZINC000644658476 430780924 /nfs/dbraw/zinc/78/09/24/430780924.db2.gz LRCVPYGSIWVILL-INIZCTEOSA-N 2 1 304.459 2.639 20 0 DFADMP Cc1csc(CNC[C@H](O)C[N@H+](C)Cc2ccccc2)c1 ZINC000644658476 430780929 /nfs/dbraw/zinc/78/09/29/430780929.db2.gz LRCVPYGSIWVILL-INIZCTEOSA-N 2 1 304.459 2.639 20 0 DFADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644513026 430739099 /nfs/dbraw/zinc/73/90/99/430739099.db2.gz APLACGBUDOJJIC-SJLPKXTDSA-N 2 1 316.445 2.683 20 0 DFADMP C[C@H](CCc1ccco1)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644513026 430739107 /nfs/dbraw/zinc/73/91/07/430739107.db2.gz APLACGBUDOJJIC-SJLPKXTDSA-N 2 1 316.445 2.683 20 0 DFADMP C[C@H](CCc1ccco1)[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644513024 430739903 /nfs/dbraw/zinc/73/99/03/430739903.db2.gz APLACGBUDOJJIC-AEFFLSMTSA-N 2 1 316.445 2.683 20 0 DFADMP C[C@H](CCc1ccco1)[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644513024 430739907 /nfs/dbraw/zinc/73/99/07/430739907.db2.gz APLACGBUDOJJIC-AEFFLSMTSA-N 2 1 316.445 2.683 20 0 DFADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000661520208 430746572 /nfs/dbraw/zinc/74/65/72/430746572.db2.gz FTRDCWGZHUEMSE-NBHGPNQESA-N 2 1 324.468 2.797 20 0 DFADMP C[C@H]1c2ccccc2C[C@H]1[NH2+]C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000661520208 430746580 /nfs/dbraw/zinc/74/65/80/430746580.db2.gz FTRDCWGZHUEMSE-NBHGPNQESA-N 2 1 324.468 2.797 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+][C@H]3COC4(CCC4)C3)C2)cc1 ZINC000657867805 430755953 /nfs/dbraw/zinc/75/59/53/430755953.db2.gz PKFMLLPORLIZOC-RBUKOAKNSA-N 2 1 314.473 2.852 20 0 DFADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000657866417 430756690 /nfs/dbraw/zinc/75/66/90/430756690.db2.gz BNSJLDUVMGDPAY-MOPGFXCFSA-N 2 1 324.472 2.872 20 0 DFADMP c1cc2n(n1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000657866417 430756696 /nfs/dbraw/zinc/75/66/96/430756696.db2.gz BNSJLDUVMGDPAY-MOPGFXCFSA-N 2 1 324.472 2.872 20 0 DFADMP CC(C)CC1(C[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000644588224 430760658 /nfs/dbraw/zinc/76/06/58/430760658.db2.gz RFSYPLPGKYQPAO-GOSISDBHSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)CC1(C[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000644588224 430760660 /nfs/dbraw/zinc/76/06/60/430760660.db2.gz RFSYPLPGKYQPAO-GOSISDBHSA-N 2 1 304.478 2.895 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CCCSCC2)CC1 ZINC000657899110 430762558 /nfs/dbraw/zinc/76/25/58/430762558.db2.gz VWSGTBCEJQJVCE-OAHLLOKOSA-N 2 1 300.512 2.751 20 0 DFADMP CC1=CCC[C@H](C)[C@H]1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000358952422 278498373 /nfs/dbraw/zinc/49/83/73/278498373.db2.gz LZYGMFCRIRNRBQ-WMZOPIPTSA-N 2 1 321.509 2.511 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@H](CO)CC(F)(F)F)CC2)C1 ZINC000358353285 278498718 /nfs/dbraw/zinc/49/87/18/278498718.db2.gz JZRFIPCHHBGZOL-VHDGCEQUSA-N 2 1 322.415 2.932 20 0 DFADMP FCC1(CF)CC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1 ZINC000657914281 430766860 /nfs/dbraw/zinc/76/68/60/430766860.db2.gz BUPUXACHZFNHTF-UHFFFAOYSA-N 2 1 316.436 2.699 20 0 DFADMP CCOC1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000657915986 430767842 /nfs/dbraw/zinc/76/78/42/430767842.db2.gz QMRZKWDOSIVCRE-UHFFFAOYSA-N 2 1 324.509 2.959 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000644632225 430774525 /nfs/dbraw/zinc/77/45/25/430774525.db2.gz CGGNKTGGDLVBMG-SFHVURJKSA-N 2 1 302.462 2.792 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]C1CCC2(CC2)CC1 ZINC000644632225 430774533 /nfs/dbraw/zinc/77/45/33/430774533.db2.gz CGGNKTGGDLVBMG-SFHVURJKSA-N 2 1 302.462 2.792 20 0 DFADMP O=C(CC[NH2+][C@H]1CCc2[nH]cnc2C1)Nc1cccc(Cl)c1 ZINC000644650855 430778960 /nfs/dbraw/zinc/77/89/60/430778960.db2.gz BLGOOYKLPLXSHQ-LBPRGKRZSA-N 2 1 318.808 2.539 20 0 DFADMP C=Cc1ccc(CC[NH2+]C[C@@H](O)C[N@@H+](C)Cc2ccccc2)cc1 ZINC000644651715 430780468 /nfs/dbraw/zinc/78/04/68/430780468.db2.gz ROZMFYBSDYPNET-OAQYLSRUSA-N 2 1 324.468 2.955 20 0 DFADMP C=Cc1ccc(CC[NH2+]C[C@@H](O)C[N@H+](C)Cc2ccccc2)cc1 ZINC000644651715 430780474 /nfs/dbraw/zinc/78/04/74/430780474.db2.gz ROZMFYBSDYPNET-OAQYLSRUSA-N 2 1 324.468 2.955 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2cnccc2C)[C@H](C)C1 ZINC000658126461 430818827 /nfs/dbraw/zinc/81/88/27/430818827.db2.gz MGMQKKLNQPEOIF-MJGOQNOKSA-N 2 1 319.493 2.659 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658136416 430820283 /nfs/dbraw/zinc/82/02/83/430820283.db2.gz IEPVQRUHIOKYHX-RBUKOAKNSA-N 2 1 302.462 2.922 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CCC34CCC4)cc2)C1 ZINC000658136535 430820430 /nfs/dbraw/zinc/82/04/30/430820430.db2.gz HKEPRKREIOWQED-ZWKOTPCHSA-N 2 1 300.446 2.676 20 0 DFADMP CCCC[C@H](COC)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658138568 430822869 /nfs/dbraw/zinc/82/28/69/430822869.db2.gz JJWAYDRCSTURHE-RTBURBONSA-N 2 1 320.477 2.548 20 0 DFADMP CC1(C)CCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658140348 430823294 /nfs/dbraw/zinc/82/32/94/430823294.db2.gz PZZNQKRZHZBRNE-QZTJIDSGSA-N 2 1 302.462 2.922 20 0 DFADMP OC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000658141739 430823431 /nfs/dbraw/zinc/82/34/31/430823431.db2.gz XVYAXMCPHATPTN-BLUNUBTQSA-N 2 1 300.446 2.568 20 0 DFADMP Cn1cncc1CC[N@@H+]1C[C@H](c2cccc(F)c2)OCC1(C)C ZINC000661736285 430824071 /nfs/dbraw/zinc/82/40/71/430824071.db2.gz OHUXLNXXCMOPBQ-QGZVFWFLSA-N 2 1 317.408 2.954 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000658170458 430832865 /nfs/dbraw/zinc/83/28/65/430832865.db2.gz SPYXFZLDWJPJAX-OIISXLGYSA-N 2 1 324.415 2.911 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000658170458 430832869 /nfs/dbraw/zinc/83/28/69/430832869.db2.gz SPYXFZLDWJPJAX-OIISXLGYSA-N 2 1 324.415 2.911 20 0 DFADMP Fc1c(Br)cccc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000648442436 430788672 /nfs/dbraw/zinc/78/86/72/430788672.db2.gz YWLIZYVXZVJEFG-LLVKDONJSA-N 2 1 324.197 2.889 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664852 430797274 /nfs/dbraw/zinc/79/72/74/430797274.db2.gz GMNWCRFEPZNBKK-RBUKOAKNSA-N 2 1 313.445 2.680 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](c2ccccc2)[C@H](CO)C1 ZINC000661664852 430797277 /nfs/dbraw/zinc/79/72/77/430797277.db2.gz GMNWCRFEPZNBKK-RBUKOAKNSA-N 2 1 313.445 2.680 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@H]2CCC[C@H]21 ZINC000651467929 430802972 /nfs/dbraw/zinc/80/29/72/430802972.db2.gz NFSXALQIQNOEOJ-IPOFZDNWSA-N 2 1 302.409 2.999 20 0 DFADMP COC[C@H](CC[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)OC ZINC000658086025 430806843 /nfs/dbraw/zinc/80/68/43/430806843.db2.gz SYGQOBDXAMKLJV-NEWSRXKRSA-N 2 1 320.477 2.538 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658094314 430807647 /nfs/dbraw/zinc/80/76/47/430807647.db2.gz YGNAIUWZYVMSTQ-GOSISDBHSA-N 2 1 316.493 2.508 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccncc3)CC2)C1 ZINC000658094314 430807650 /nfs/dbraw/zinc/80/76/50/430807650.db2.gz YGNAIUWZYVMSTQ-GOSISDBHSA-N 2 1 316.493 2.508 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@]2(C)CC2(F)F)[C@@H](C)C1 ZINC000658223404 430845914 /nfs/dbraw/zinc/84/59/14/430845914.db2.gz YZQAGBMKOIJMNQ-SOUVJXGZSA-N 2 1 304.425 2.758 20 0 DFADMP Oc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@H]3CCCO3)CC1)CC2 ZINC000658240521 430849691 /nfs/dbraw/zinc/84/96/91/430849691.db2.gz YQKGHHPGMSZVFS-IEBWSBKVSA-N 2 1 316.445 2.613 20 0 DFADMP C[NH2+]C[C@H](C)[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000665298686 430889006 /nfs/dbraw/zinc/88/90/06/430889006.db2.gz ZVEVXXNVOYBLDH-XHDPSFHLSA-N 2 1 311.267 2.968 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000644889010 430857306 /nfs/dbraw/zinc/85/73/06/430857306.db2.gz FIWBSZWZSRRUHU-OAHLLOKOSA-N 2 1 321.428 2.636 20 0 DFADMP N[C@H]1CCCCC[C@H]1[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000665240634 430866926 /nfs/dbraw/zinc/86/69/26/430866926.db2.gz PMNUWMQYJVLLJB-RBUKOAKNSA-N 2 1 316.493 2.543 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000648718064 430868187 /nfs/dbraw/zinc/86/81/87/430868187.db2.gz MQSDPMCKDNZFDU-MRXNPFEDSA-N 2 1 320.481 2.635 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCOC[C@H]2C)cc1 ZINC000665254995 430870177 /nfs/dbraw/zinc/87/01/77/430870177.db2.gz GCFGMIATQSQTFB-FDPIWHGQSA-N 2 1 318.461 2.545 20 0 DFADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+][C@@H]2CCC[C@H](OC)C2)cc1 ZINC000665256018 430873316 /nfs/dbraw/zinc/87/33/16/430873316.db2.gz LPLLVRFMJMKYJH-QXCFHYIPSA-N 2 1 318.461 2.688 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1CN(C)C[C@@H]1CC[N@@H+](C)C1 ZINC000651774723 430873469 /nfs/dbraw/zinc/87/34/69/430873469.db2.gz OWRIXXIYHGHAKO-QGZVFWFLSA-N 2 1 312.461 2.873 20 0 DFADMP COc1ccc(-c2cc(C[NH2+][C@H]3CC[NH2+]CC[C@@H]3C)on2)cc1 ZINC000665262076 430873889 /nfs/dbraw/zinc/87/38/89/430873889.db2.gz SQTVMNOCXXVJJL-GUYCJALGSA-N 2 1 315.417 2.828 20 0 DFADMP CC1(C)[C@H](OCc2ccccc2)C[C@@H]1[NH2+]CC12CC(C1)C[NH2+]2 ZINC000665278352 430881898 /nfs/dbraw/zinc/88/18/98/430881898.db2.gz BTDJOYFVWSHWNG-DHADLLTHSA-N 2 1 300.446 2.712 20 0 DFADMP [NH3+]Cc1cc(=O)[nH]c(C[NH2+][C@H](CC2CCC2)c2ccccc2)n1 ZINC000665291612 430886765 /nfs/dbraw/zinc/88/67/65/430886765.db2.gz GQVKTWCYRWLMFU-MRXNPFEDSA-N 2 1 312.417 2.662 20 0 DFADMP CC[C@@H]([NH2+]Cc1nc(C[NH3+])cc(=O)[nH]1)c1ccc(Cl)cc1 ZINC000665289329 430887688 /nfs/dbraw/zinc/88/76/88/430887688.db2.gz LLLWYALZDNVBLA-CYBMUJFWSA-N 2 1 306.797 2.535 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000648787311 430890549 /nfs/dbraw/zinc/89/05/49/430890549.db2.gz MUVQBMMZCVVJKP-HUUCEWRRSA-N 2 1 322.497 2.879 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299839 430890919 /nfs/dbraw/zinc/89/09/19/430890919.db2.gz UHHMQODAKORSBP-PWIZWCRZSA-N 2 1 315.505 2.657 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000648787310 430891642 /nfs/dbraw/zinc/89/16/42/430891642.db2.gz MUVQBMMZCVVJKP-GJZGRUSLSA-N 2 1 322.497 2.879 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000648784069 430892319 /nfs/dbraw/zinc/89/23/19/430892319.db2.gz AZUZJYHFKXYYAQ-CVEARBPZSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000648784069 430892323 /nfs/dbraw/zinc/89/23/23/430892323.db2.gz AZUZJYHFKXYYAQ-CVEARBPZSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCC[N@@H+]1CC(C)C ZINC000648838312 430909353 /nfs/dbraw/zinc/90/93/53/430909353.db2.gz BQCZXIXJFHVCQY-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@H]1CCC[N@H+]1CC(C)C ZINC000648838312 430909356 /nfs/dbraw/zinc/90/93/56/430909356.db2.gz BQCZXIXJFHVCQY-HZPDHXFCSA-N 2 1 320.481 2.633 20 0 DFADMP CC[N@@H+](CCC[NH2+]C[C@@H]1CNc2ccnn2C1)C1CCCCC1 ZINC000651909548 430913323 /nfs/dbraw/zinc/91/33/23/430913323.db2.gz NZAZTOCDAKYCSZ-MRXNPFEDSA-N 2 1 319.497 2.559 20 0 DFADMP CC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCCOC1 ZINC000651948880 430922051 /nfs/dbraw/zinc/92/20/51/430922051.db2.gz YXPHKVVZJPOWER-QGZVFWFLSA-N 2 1 300.406 2.577 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000648889249 430926755 /nfs/dbraw/zinc/92/67/55/430926755.db2.gz SAPSMBDUAVAZAO-FHERZECASA-N 2 1 318.465 2.530 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C2(CCC2)CO1 ZINC000651975730 430931253 /nfs/dbraw/zinc/93/12/53/430931253.db2.gz LWGAIRPVDUTBOK-INIZCTEOSA-N 2 1 318.461 2.770 20 0 DFADMP C[N@@H+](CCC(=O)N[C@@H]1CCC[NH+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655349944 430971930 /nfs/dbraw/zinc/97/19/30/430971930.db2.gz MTXPIBLGKOWGLB-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655349944 430971935 /nfs/dbraw/zinc/97/19/35/430971935.db2.gz MTXPIBLGKOWGLB-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCC(=O)N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)C1CCCCC1 ZINC000655349944 430971940 /nfs/dbraw/zinc/97/19/40/430971940.db2.gz MTXPIBLGKOWGLB-MSOLQXFVSA-N 2 1 321.509 2.774 20 0 DFADMP Cc1cccc(Cl)c1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152709 430979242 /nfs/dbraw/zinc/97/92/42/430979242.db2.gz YBRGZDARIRTXFQ-OAHLLOKOSA-N 2 1 308.853 2.679 20 0 DFADMP CC[N@@H+](CCCNC(=O)NC1CCC([NH3+])CC1)C1CCCCC1 ZINC000652206840 430986152 /nfs/dbraw/zinc/98/61/52/430986152.db2.gz VOZQYRCHVHDXKF-UHFFFAOYSA-N 2 1 324.513 2.600 20 0 DFADMP CC[N@H+]1CCN(c2cc[nH+]c3cc(OC)c(OC)cc32)C[C@@H]1C ZINC000665708724 431010222 /nfs/dbraw/zinc/01/02/22/431010222.db2.gz IDGDJBGWJZAPTQ-ZDUSSCGKSA-N 2 1 315.417 2.782 20 0 DFADMP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@@H+](C)C1 ZINC000648998207 430964128 /nfs/dbraw/zinc/96/41/28/430964128.db2.gz GVXMHIILXPPHDB-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCCN(C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000648998207 430964133 /nfs/dbraw/zinc/96/41/33/430964133.db2.gz GVXMHIILXPPHDB-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCCN(C(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CC[NH+](C)C1 ZINC000648998207 430964136 /nfs/dbraw/zinc/96/41/36/430964136.db2.gz GVXMHIILXPPHDB-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CCc1nccn1[C@H]1CCC[N@@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263607 431021107 /nfs/dbraw/zinc/02/11/07/431021107.db2.gz NMMYAUATRAAHGH-SFHVURJKSA-N 2 1 324.472 2.928 20 0 DFADMP CO[C@H](C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264844 431022337 /nfs/dbraw/zinc/02/23/37/431022337.db2.gz SPAAUSDKYOBMRF-RTBURBONSA-N 2 1 317.477 2.841 20 0 DFADMP CO[C@H](C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1)C1CCC1 ZINC000662264844 431022340 /nfs/dbraw/zinc/02/23/40/431022340.db2.gz SPAAUSDKYOBMRF-RTBURBONSA-N 2 1 317.477 2.841 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@H+](Cc3cccc(F)c3OC(F)F)C[C@H]21 ZINC000662266301 431023638 /nfs/dbraw/zinc/02/36/38/431023638.db2.gz LHQWYENBTVTQAT-ZKYQVNSYSA-N 2 1 314.351 2.986 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](Cc3cccc(F)c3OC(F)F)C[C@H]21 ZINC000662266301 431023643 /nfs/dbraw/zinc/02/36/43/431023643.db2.gz LHQWYENBTVTQAT-ZKYQVNSYSA-N 2 1 314.351 2.986 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc(-c3ccc(OC)cc3)no2)CC[C@H]1[NH3+] ZINC000662270097 431024934 /nfs/dbraw/zinc/02/49/34/431024934.db2.gz IHHZIZXYLNDAOI-CXAGYDPISA-N 2 1 315.417 2.909 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc(-c3ccc(OC)cc3)no2)CC[C@H]1[NH3+] ZINC000662270097 431024947 /nfs/dbraw/zinc/02/49/47/431024947.db2.gz IHHZIZXYLNDAOI-CXAGYDPISA-N 2 1 315.417 2.909 20 0 DFADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000652349217 431027775 /nfs/dbraw/zinc/02/77/75/431027775.db2.gz FYOLGGDLUDQBJI-OTWHNJEPSA-N 2 1 302.462 2.967 20 0 DFADMP CCc1ccc([C@H]2C[NH2+]CCN2CCCc2c[nH+]cn2C)cc1 ZINC000662271677 431027902 /nfs/dbraw/zinc/02/79/02/431027902.db2.gz IJIOBHANZGLIDI-LJQANCHMSA-N 2 1 312.461 2.562 20 0 DFADMP C[C@H]1CCC[N@@H+](CCOCCOc2ccccc2)[C@@H]1CC[NH3+] ZINC000652354438 431029422 /nfs/dbraw/zinc/02/94/22/431029422.db2.gz YRDDRJKXJVQBLN-FUHWJXTLSA-N 2 1 306.450 2.531 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCOc2ccc3c(c2)OCO3)[C@@H]1CC[NH3+] ZINC000652354745 431030186 /nfs/dbraw/zinc/03/01/86/431030186.db2.gz HFQPJEVXEBSWBU-GDBMZVCRSA-N 2 1 320.433 2.634 20 0 DFADMP CCc1nc2c(s1)[C@@H]([N@@H+](C)C[C@H]1CCC3(C[NH2+]C3)O1)CCC2 ZINC000662278279 431030427 /nfs/dbraw/zinc/03/04/27/431030427.db2.gz DPJVIZXFDMVZFC-OCCSQVGLSA-N 2 1 321.490 2.536 20 0 DFADMP COc1cccc(SCC[N@@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000662275581 431030468 /nfs/dbraw/zinc/03/04/68/431030468.db2.gz CHLUPBUBQOGYGE-KRWDZBQOSA-N 2 1 306.475 2.863 20 0 DFADMP COc1cccc(SCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000662275581 431030478 /nfs/dbraw/zinc/03/04/78/431030478.db2.gz CHLUPBUBQOGYGE-KRWDZBQOSA-N 2 1 306.475 2.863 20 0 DFADMP C[C@H]1C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)CCc2ccccc21 ZINC000652358706 431031311 /nfs/dbraw/zinc/03/13/11/431031311.db2.gz GLQNUNRHKRYOKK-NDXORKPFSA-N 2 1 324.468 2.579 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCCc2ccccc2)C1 ZINC000652360806 431032962 /nfs/dbraw/zinc/03/29/62/431032962.db2.gz QRZFRFYTZUXXRZ-QYZOEREBSA-N 2 1 302.462 2.980 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652361830 431033460 /nfs/dbraw/zinc/03/34/60/431033460.db2.gz QKFBLLGUMGBGLF-IEWDOMPSSA-N 2 1 324.509 2.943 20 0 DFADMP CCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363182 431033654 /nfs/dbraw/zinc/03/36/54/431033654.db2.gz ZXYMPRZPVBPBSI-FVQBIDKESA-N 2 1 323.506 2.956 20 0 DFADMP CCCc1nc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363182 431033658 /nfs/dbraw/zinc/03/36/58/431033658.db2.gz ZXYMPRZPVBPBSI-FVQBIDKESA-N 2 1 323.506 2.956 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2CCOCc2ccccc2)C1 ZINC000662282560 431033719 /nfs/dbraw/zinc/03/37/19/431033719.db2.gz CGMYFESBKLMAIA-GUDVDZBRSA-N 2 1 318.461 2.564 20 0 DFADMP C[C@H](c1nc(C2CC2)no1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294663 431034149 /nfs/dbraw/zinc/03/41/49/431034149.db2.gz DNYGORYKYSUBGO-DOMZBBRYSA-N 2 1 304.438 2.720 20 0 DFADMP C[C@H](C(=O)Nc1ccccc1)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295786 431037219 /nfs/dbraw/zinc/03/72/19/431037219.db2.gz UDSPATCBLKRBID-WBVHZDCISA-N 2 1 315.461 2.725 20 0 DFADMP CC(C)CCc1noc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295159 431037902 /nfs/dbraw/zinc/03/79/02/431037902.db2.gz FPHXCVWUAXQAOZ-INIZCTEOSA-N 2 1 320.481 2.870 20 0 DFADMP CC(C)N(C(=O)[C@@H](C)[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)C(C)C ZINC000662296845 431038838 /nfs/dbraw/zinc/03/88/38/431038838.db2.gz NXPCUYPDSKYMPP-AEFFLSMTSA-N 2 1 323.525 2.732 20 0 DFADMP CN(CCc1ccccc1)[C@@H]1CC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000662306239 431040947 /nfs/dbraw/zinc/04/09/47/431040947.db2.gz PKAGVUCMLCMEFK-HXUWFJFHSA-N 2 1 315.505 2.625 20 0 DFADMP CCC1(CC)CCC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C1 ZINC000662309631 431042119 /nfs/dbraw/zinc/04/21/19/431042119.db2.gz MWPBGMOJGQOSCE-ROUUACIJSA-N 2 1 304.478 2.820 20 0 DFADMP Brc1cc2c(s1)CC[N@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662312304 431042422 /nfs/dbraw/zinc/04/24/22/431042422.db2.gz YAXTVXLUENVBIM-SNVBAGLBSA-N 2 1 315.280 2.868 20 0 DFADMP Brc1cc2c(s1)CC[N@@H+](CC[C@H]1CC[NH2+]C1)C2 ZINC000662312304 431042425 /nfs/dbraw/zinc/04/24/25/431042425.db2.gz YAXTVXLUENVBIM-SNVBAGLBSA-N 2 1 315.280 2.868 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313705 431043149 /nfs/dbraw/zinc/04/31/49/431043149.db2.gz XLRGHKPQPWXCKV-UYTYNIKBSA-N 2 1 323.525 2.767 20 0 DFADMP c1ccc(O[C@@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000662317183 431043268 /nfs/dbraw/zinc/04/32/68/431043268.db2.gz NJKNIHSRGDNWEJ-LJQANCHMSA-N 2 1 308.425 2.986 20 0 DFADMP CC1CCC(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])CC1 ZINC000662313481 431044004 /nfs/dbraw/zinc/04/40/04/431044004.db2.gz RNCZMLDYAOQAQW-MNAZLIDISA-N 2 1 309.498 2.521 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2nnc(C3CC3)n2C2CC2)[C@@H]1CCC[NH3+] ZINC000662317854 431044027 /nfs/dbraw/zinc/04/40/27/431044027.db2.gz UANBEAWFKPFEQI-CZUORRHYSA-N 2 1 317.481 2.830 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2nc3ccccc3n2C)[C@@H]1CCC[NH3+] ZINC000662316719 431044266 /nfs/dbraw/zinc/04/42/66/431044266.db2.gz MKOAYAFZPOJBIM-GDBMZVCRSA-N 2 1 300.450 2.913 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)CCC1CC[NH2+]CC1 ZINC000662324394 431047328 /nfs/dbraw/zinc/04/73/28/431047328.db2.gz WZJLUXNQQZUNFS-UHFFFAOYSA-N 2 1 306.450 2.786 20 0 DFADMP CC[N@@H+](CCOCC[NH3+])[C@H](C)Cc1ccc(C(F)(F)F)cc1 ZINC000662318839 431047860 /nfs/dbraw/zinc/04/78/60/431047860.db2.gz HNDSEVRIJOEXCC-CYBMUJFWSA-N 2 1 318.383 2.934 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@H]2CCCCC[NH2+]2)C1 ZINC000649310914 431062133 /nfs/dbraw/zinc/06/21/33/431062133.db2.gz NLDJHAYSCSGLLV-FGTMMUONSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649318865 431065814 /nfs/dbraw/zinc/06/58/14/431065814.db2.gz QSQRYUWJCONFDE-DVOMOZLQSA-N 2 1 323.868 2.719 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000649318865 431065816 /nfs/dbraw/zinc/06/58/16/431065816.db2.gz QSQRYUWJCONFDE-DVOMOZLQSA-N 2 1 323.868 2.719 20 0 DFADMP CC[C@H]([NH2+]C)C(=O)NCc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000662388550 431068809 /nfs/dbraw/zinc/06/88/09/431068809.db2.gz OHTPHZVUMXQGDM-YJBOKZPZSA-N 2 1 317.477 2.533 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2csc(N(C)C3CC3)n2)CC1 ZINC000662243846 431012918 /nfs/dbraw/zinc/01/29/18/431012918.db2.gz FMJSXAYJRJPPQR-UHFFFAOYSA-N 2 1 308.495 2.563 20 0 DFADMP COc1ccc(-c2cc(C[N@H+](C)CC(C)(C)C[NH3+])on2)cc1 ZINC000662248008 431013947 /nfs/dbraw/zinc/01/39/47/431013947.db2.gz QVTYKKSQYPNOKE-UHFFFAOYSA-N 2 1 303.406 2.767 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+](C)CC(C)(C)C[NH3+])on2)cc1 ZINC000662248008 431013951 /nfs/dbraw/zinc/01/39/51/431013951.db2.gz QVTYKKSQYPNOKE-UHFFFAOYSA-N 2 1 303.406 2.767 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000652300576 431014417 /nfs/dbraw/zinc/01/44/17/431014417.db2.gz HBIJYNNXSVQCBM-OKYOBFRVSA-N 2 1 320.452 2.740 20 0 DFADMP Clc1ccc([C@H]2CCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662251139 431015687 /nfs/dbraw/zinc/01/56/87/431015687.db2.gz ZVFMXXXNLQINFA-JKSUJKDBSA-N 2 1 306.837 2.998 20 0 DFADMP Clc1ccc(C[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662250280 431016932 /nfs/dbraw/zinc/01/69/32/431016932.db2.gz DAZHTVIBLHNIIK-INIZCTEOSA-N 2 1 306.837 2.825 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2F)[N@@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662253979 431017181 /nfs/dbraw/zinc/01/71/81/431017181.db2.gz CTZCVLQARFBKDA-KEYYUXOJSA-N 2 1 304.409 2.730 20 0 DFADMP C[C@H]1[NH2+]CC[C@H]1C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000645502404 431018244 /nfs/dbraw/zinc/01/82/44/431018244.db2.gz GCDVSIIDBOQSNV-IIDMSEBBSA-N 2 1 315.461 2.855 20 0 DFADMP Clc1ccc([C@@H]2CC[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)C2)cc1 ZINC000662256613 431019094 /nfs/dbraw/zinc/01/90/94/431019094.db2.gz WZPWUSSWDHGGOR-ZBFHGGJFSA-N 2 1 306.837 2.650 20 0 DFADMP CC(C)(C)[C@@H]1C[C@H]([NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CCO1 ZINC000655737643 431109000 /nfs/dbraw/zinc/10/90/00/431109000.db2.gz PVDKKPWFBFRIMN-SQNIBIBYSA-N 2 1 324.509 2.813 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666084638 431110211 /nfs/dbraw/zinc/11/02/11/431110211.db2.gz PMASTWFJWBZQII-MRXNPFEDSA-N 2 1 322.880 2.898 20 0 DFADMP OC1CC[NH+](CCC[NH2+][C@H]2CCc3cccc(Cl)c3C2)CC1 ZINC000666084825 431111639 /nfs/dbraw/zinc/11/16/39/431111639.db2.gz LUHWKBAGUZMXRL-HNNXBMFYSA-N 2 1 322.880 2.634 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)ccc1Cl ZINC000655754125 431115982 /nfs/dbraw/zinc/11/59/82/431115982.db2.gz LPTVSTDHJLGSJK-MRXNPFEDSA-N 2 1 308.853 2.991 20 0 DFADMP c1c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)nn2c1CCC2 ZINC000649486401 431116951 /nfs/dbraw/zinc/11/69/51/431116951.db2.gz KVGCYTQFBJKFQC-UHFFFAOYSA-N 2 1 316.493 2.917 20 0 DFADMP CCCNc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655758816 431120099 /nfs/dbraw/zinc/12/00/99/431120099.db2.gz DRNCWGLRRCXCAM-LJQANCHMSA-N 2 1 317.477 2.851 20 0 DFADMP CCO[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1ccccc1 ZINC000655761976 431122470 /nfs/dbraw/zinc/12/24/70/431122470.db2.gz SNPLJDXMMQOENP-OALUTQOASA-N 2 1 318.461 2.607 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CC2=CCCC2)CC1)Cc1ccccc1 ZINC000645801276 431077366 /nfs/dbraw/zinc/07/73/66/431077366.db2.gz RZJSZKPNQSPETO-UHFFFAOYSA-N 2 1 313.489 2.846 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCC[C@@H]3CCOC3)C2)c1 ZINC000645800785 431077840 /nfs/dbraw/zinc/07/78/40/431077840.db2.gz WAHBMKIIPYMQAV-SJORKVTESA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCC[C@@H]3CCOC3)C2)c1 ZINC000645800785 431077843 /nfs/dbraw/zinc/07/78/43/431077843.db2.gz WAHBMKIIPYMQAV-SJORKVTESA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc(C)c(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655694225 431084345 /nfs/dbraw/zinc/08/43/45/431084345.db2.gz DRXIAHSHVJIFTF-LJQANCHMSA-N 2 1 316.489 2.997 20 0 DFADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CC2 ZINC000655698610 431087205 /nfs/dbraw/zinc/08/72/05/431087205.db2.gz NNHFQDKTCDYWLP-MSOLQXFVSA-N 2 1 302.462 2.727 20 0 DFADMP C[C@@H]1CC(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@@H](C)O1 ZINC000655765474 431125822 /nfs/dbraw/zinc/12/58/22/431125822.db2.gz GHMVLGASIKYGDN-MDZRGWNJSA-N 2 1 324.509 2.813 20 0 DFADMP CN(Cc1ccccc1)[C@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)C1 ZINC000649413969 431095637 /nfs/dbraw/zinc/09/56/37/431095637.db2.gz ZVJGCIAQIKQHAT-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000649415220 431095997 /nfs/dbraw/zinc/09/59/97/431095997.db2.gz QCMPHBPFYKBXOR-CVEARBPZSA-N 2 1 312.461 2.580 20 0 DFADMP C[C@H](Cc1cccc(O)c1)[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655717052 431096123 /nfs/dbraw/zinc/09/61/23/431096123.db2.gz TVJSJNUSJWNHCQ-BEFAXECRSA-N 2 1 318.461 2.556 20 0 DFADMP Cc1cccc2nc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418045 431096337 /nfs/dbraw/zinc/09/63/37/431096337.db2.gz XOULZRHSYLVDMQ-DLBZAZTESA-N 2 1 312.461 2.854 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)Cc1cccs1 ZINC000655718560 431097296 /nfs/dbraw/zinc/09/72/96/431097296.db2.gz BFGFULQECWHVKN-GOEBONIOSA-N 2 1 308.491 2.770 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCCC[N@@H+](C)CC(C)C)c1 ZINC000652610609 431099599 /nfs/dbraw/zinc/09/95/99/431099599.db2.gz FJDAWPIARSEFBB-UHFFFAOYSA-N 2 1 320.481 2.896 20 0 DFADMP c1ccc2c(c1)CC[C@H](C[NH2+]C1CC[NH+]([C@H]3CCOC3)CC1)C2 ZINC000655729461 431103890 /nfs/dbraw/zinc/10/38/90/431103890.db2.gz HHCIKSMXAGDOSQ-JXFKEZNVSA-N 2 1 314.473 2.634 20 0 DFADMP c1ccc(C[C@@H]2C[C@H]2[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655731267 431105941 /nfs/dbraw/zinc/10/59/41/431105941.db2.gz WGFXRVYJJXYNGJ-MISYRCLQSA-N 2 1 314.473 2.851 20 0 DFADMP FC1(F)CCC[C@@H]1C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655772546 431130572 /nfs/dbraw/zinc/13/05/72/431130572.db2.gz ODKGHFGSCSNMPR-UKRRQHHQSA-N 2 1 302.409 2.655 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000373013150 279035423 /nfs/dbraw/zinc/03/54/23/279035423.db2.gz HQSVBMCDQKYUMT-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000373013150 279035425 /nfs/dbraw/zinc/03/54/25/279035425.db2.gz HQSVBMCDQKYUMT-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000373013150 279035427 /nfs/dbraw/zinc/03/54/27/279035427.db2.gz HQSVBMCDQKYUMT-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CC[C@@H](C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)CC(F)(F)F ZINC000655776202 431132036 /nfs/dbraw/zinc/13/20/36/431132036.db2.gz JROLSMUBPPLECV-TZMCWYRMSA-N 2 1 308.388 2.808 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000655775542 431133339 /nfs/dbraw/zinc/13/33/39/431133339.db2.gz AOKKWXGJKPHENF-HNNXBMFYSA-N 2 1 300.450 2.776 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247955588 279183887 /nfs/dbraw/zinc/18/38/87/279183887.db2.gz FNGOQWOTDOKCBX-SOLBZPMBSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000247955588 279183888 /nfs/dbraw/zinc/18/38/88/279183888.db2.gz FNGOQWOTDOKCBX-SOLBZPMBSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000247955588 279183889 /nfs/dbraw/zinc/18/38/89/279183889.db2.gz FNGOQWOTDOKCBX-SOLBZPMBSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247955588 279183890 /nfs/dbraw/zinc/18/38/90/279183890.db2.gz FNGOQWOTDOKCBX-SOLBZPMBSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000666172106 431135790 /nfs/dbraw/zinc/13/57/90/431135790.db2.gz ANYCFRLNYLOVBI-STQMWFEESA-N 2 1 303.406 2.916 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000245951702 279369076 /nfs/dbraw/zinc/36/90/76/279369076.db2.gz ZBWFAKHPTVXPRM-CRAIPNDOSA-N 2 1 305.441 2.599 20 0 DFADMP CCC[N@H+]1CC[C@H](NC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000662704285 431167390 /nfs/dbraw/zinc/16/73/90/431167390.db2.gz YHGYSKCIJPHBBF-IRXDYDNUSA-N 2 1 309.498 2.665 20 0 DFADMP CC(C)[NH2+]CCC(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000646071463 431170354 /nfs/dbraw/zinc/17/03/54/431170354.db2.gz NWRIEGGBHWNMQJ-RHSMWYFYSA-N 2 1 323.506 2.635 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)C2([NH2+]C3CC3)CCC2)C1 ZINC000662729039 431175047 /nfs/dbraw/zinc/17/50/47/431175047.db2.gz GAXWALAFINKMPP-HNNXBMFYSA-N 2 1 321.509 2.678 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659897594 431175170 /nfs/dbraw/zinc/17/51/70/431175170.db2.gz YKXPRKYJYZCOOI-AEFFLSMTSA-N 2 1 316.489 2.884 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H](C)Cc2ccccn2)[C@H](C)C1 ZINC000655836208 431176236 /nfs/dbraw/zinc/17/62/36/431176236.db2.gz FXCQXLABKXCEGH-AOIWGVFYSA-N 2 1 319.493 2.739 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000649585841 431177168 /nfs/dbraw/zinc/17/71/68/431177168.db2.gz HZZKWCXXCAMTQQ-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000649585841 431177174 /nfs/dbraw/zinc/17/71/74/431177174.db2.gz HZZKWCXXCAMTQQ-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP CCN(C[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000649585841 431177176 /nfs/dbraw/zinc/17/71/76/431177176.db2.gz HZZKWCXXCAMTQQ-RBUKOAKNSA-N 2 1 301.478 2.677 20 0 DFADMP CC(C)Oc1ccnc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000649590289 431179529 /nfs/dbraw/zinc/17/95/29/431179529.db2.gz SKGCBBYLKHRGAL-HNNXBMFYSA-N 2 1 314.433 2.760 20 0 DFADMP CC(C)Oc1ccnc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000649590289 431179534 /nfs/dbraw/zinc/17/95/34/431179534.db2.gz SKGCBBYLKHRGAL-HNNXBMFYSA-N 2 1 314.433 2.760 20 0 DFADMP Cc1ccccc1C1CC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)CC1 ZINC000659907229 431183909 /nfs/dbraw/zinc/18/39/09/431183909.db2.gz XQAZGUSKOQGYFP-SFHVURJKSA-N 2 1 304.478 2.876 20 0 DFADMP Cc1ccccc1C1CC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)CC1 ZINC000659907229 431183916 /nfs/dbraw/zinc/18/39/16/431183916.db2.gz XQAZGUSKOQGYFP-SFHVURJKSA-N 2 1 304.478 2.876 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@H](O)C(C)C)C2)s1 ZINC000649603424 431190350 /nfs/dbraw/zinc/19/03/50/431190350.db2.gz MALNQVFUCZEVBT-RDJZCZTQSA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@H](O)C(C)C)C2)s1 ZINC000649603424 431190358 /nfs/dbraw/zinc/19/03/58/431190358.db2.gz MALNQVFUCZEVBT-RDJZCZTQSA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@H](O)C(C)C)C2)s1 ZINC000649603424 431190362 /nfs/dbraw/zinc/19/03/62/431190362.db2.gz MALNQVFUCZEVBT-RDJZCZTQSA-N 2 1 310.507 2.827 20 0 DFADMP CO[C@H](C[N@@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CCC1 ZINC000659944099 431199709 /nfs/dbraw/zinc/19/97/09/431199709.db2.gz QFJINDGQTAKCJJ-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP CO[C@H](C[N@H+]1CC[C@H](CNc2cccc(C)[nH+]2)C1)C1CCC1 ZINC000659944099 431199717 /nfs/dbraw/zinc/19/97/17/431199717.db2.gz QFJINDGQTAKCJJ-NVXWUHKLSA-N 2 1 303.450 2.939 20 0 DFADMP FC(F)(F)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655792549 431144953 /nfs/dbraw/zinc/14/49/53/431144953.db2.gz LHZMWSOIDBJYHG-KFWWJZLASA-N 2 1 320.399 2.950 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cncc(F)c1 ZINC000271576959 279456659 /nfs/dbraw/zinc/45/66/59/279456659.db2.gz ZTAVMWMOIDEUNV-MORSLUCNSA-N 2 1 321.440 2.639 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1C[C@@H]1CCC[NH+]1C ZINC000649547679 431152465 /nfs/dbraw/zinc/15/24/65/431152465.db2.gz ZOVBPKSONBAINS-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C[C@@H]1CCC[N@@H+]1C ZINC000649547679 431152469 /nfs/dbraw/zinc/15/24/69/431152469.db2.gz ZOVBPKSONBAINS-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@H]1CC[NH+](Cc2ccccc2)CCN1C[C@@H]1CCC[N@H+]1C ZINC000649547679 431152473 /nfs/dbraw/zinc/15/24/73/431152473.db2.gz ZOVBPKSONBAINS-HKUYNNGSSA-N 2 1 301.478 2.677 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@@H+]1Cc1ccccc1 ZINC000655806704 431156114 /nfs/dbraw/zinc/15/61/14/431156114.db2.gz ZPUNRVBIVRZPCK-AFYVEPGGSA-N 3 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC[N@H+]1Cc1ccccc1 ZINC000655806704 431156118 /nfs/dbraw/zinc/15/61/18/431156118.db2.gz ZPUNRVBIVRZPCK-AFYVEPGGSA-N 3 1 315.505 2.969 20 0 DFADMP [NH3+][C@@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668545 431157169 /nfs/dbraw/zinc/15/71/69/431157169.db2.gz OOPFMQILKYVBRF-AEFFLSMTSA-N 2 1 315.461 2.600 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000662667780 431157820 /nfs/dbraw/zinc/15/78/20/431157820.db2.gz DKMIBIFFRNRVQR-QAPCUYQASA-N 2 1 315.461 2.518 20 0 DFADMP Cc1ccccc1[C@H]([NH3+])C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662667780 431157827 /nfs/dbraw/zinc/15/78/27/431157827.db2.gz DKMIBIFFRNRVQR-QAPCUYQASA-N 2 1 315.461 2.518 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000662676631 431158500 /nfs/dbraw/zinc/15/85/00/431158500.db2.gz ZTIFVFGGLVTENQ-BPUTZDHNSA-N 2 1 301.434 2.737 20 0 DFADMP C[N@@H+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@H]1CCC[NH+](C)C1 ZINC000659947259 431204297 /nfs/dbraw/zinc/20/42/97/431204297.db2.gz NHGMXLOWPNGXHS-DLBZAZTESA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@H]1CCC[N@H+](C)C1 ZINC000659947259 431204308 /nfs/dbraw/zinc/20/43/08/431204308.db2.gz NHGMXLOWPNGXHS-DLBZAZTESA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C[C@H]1CCCN(C(=O)C(C)(C)C)C1)C[C@H]1CCC[N@@H+](C)C1 ZINC000659947259 431204313 /nfs/dbraw/zinc/20/43/13/431204313.db2.gz NHGMXLOWPNGXHS-DLBZAZTESA-N 2 1 323.525 2.545 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CCCC[C@H]2C2CCC2)CC1 ZINC000646138797 431204923 /nfs/dbraw/zinc/20/49/23/431204923.db2.gz WHOSZSKPFLFACT-SFHVURJKSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccnc(NC[C@H]2CC[N@@H+](CCc3cncs3)C2)c1 ZINC000662828406 431208902 /nfs/dbraw/zinc/20/89/02/431208902.db2.gz RYUUQRYCXUKLNM-CQSZACIVSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCc3cncs3)C2)c1 ZINC000662828406 431208912 /nfs/dbraw/zinc/20/89/12/431208912.db2.gz RYUUQRYCXUKLNM-CQSZACIVSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@@H]23)c1 ZINC000655910574 431212480 /nfs/dbraw/zinc/21/24/80/431212480.db2.gz YQRHNRKBJCATPR-IRXDYDNUSA-N 2 1 316.449 2.592 20 0 DFADMP COc1ccc(F)c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000646165493 431212903 /nfs/dbraw/zinc/21/29/03/431212903.db2.gz ACSQDXXGJMLCAK-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1ccc(F)c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000646165493 431212909 /nfs/dbraw/zinc/21/29/09/431212909.db2.gz ACSQDXXGJMLCAK-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)CC2([NH3+])CCC2)cc1 ZINC000646174966 431216057 /nfs/dbraw/zinc/21/60/57/431216057.db2.gz BXNBSLDQTGYPGL-CYBMUJFWSA-N 2 1 312.417 2.629 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000659980827 431218872 /nfs/dbraw/zinc/21/88/72/431218872.db2.gz ZQYAZEDRTCLRCY-NEWSRXKRSA-N 2 1 304.478 2.641 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000659980827 431218876 /nfs/dbraw/zinc/21/88/76/431218876.db2.gz ZQYAZEDRTCLRCY-NEWSRXKRSA-N 2 1 304.478 2.641 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](Cc2ccccc2)[C@H]1C ZINC000659980827 431218880 /nfs/dbraw/zinc/21/88/80/431218880.db2.gz ZQYAZEDRTCLRCY-NEWSRXKRSA-N 2 1 304.478 2.641 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cnc2ccccc2n1 ZINC000659986908 431224277 /nfs/dbraw/zinc/22/42/77/431224277.db2.gz DWZJTVNHXSTUGI-MRXNPFEDSA-N 2 1 307.401 2.799 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cnc2ccccc2n1 ZINC000659986908 431224282 /nfs/dbraw/zinc/22/42/82/431224282.db2.gz DWZJTVNHXSTUGI-MRXNPFEDSA-N 2 1 307.401 2.799 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCC[C@@H](OC3CCC3)C2)cc1 ZINC000655948033 431225607 /nfs/dbraw/zinc/22/56/07/431225607.db2.gz WHTFFUMQAMQNLL-QFBILLFUSA-N 2 1 318.461 2.771 20 0 DFADMP C[C@@H](C[NH+]1CCC(C)CC1)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000662886825 431228290 /nfs/dbraw/zinc/22/82/90/431228290.db2.gz OMMUPEKMICHWLQ-XJKSGUPXSA-N 2 1 323.868 2.576 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@@H]1C(=O)NC[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663000763 431252609 /nfs/dbraw/zinc/25/26/09/431252609.db2.gz MFUNLKMWUIOKHT-OKZBNKHCSA-N 2 1 321.509 2.522 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660114702 431277275 /nfs/dbraw/zinc/27/72/75/431277275.db2.gz JURFNLGHVZQFOV-RMJJICAUSA-N 2 1 319.537 2.913 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000660152596 431295326 /nfs/dbraw/zinc/29/53/26/431295326.db2.gz AUCKSFQVSBQQIR-XHSDSOJGSA-N 2 1 317.468 2.626 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN1[C@H](C)Cc2cc(F)ccc2[C@H]1C ZINC000660165178 431297588 /nfs/dbraw/zinc/29/75/88/431297588.db2.gz UQYRHLSKWYQDTD-CPUCHLNUSA-N 2 1 308.441 2.834 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CCC[NH2+][C@@H]1C)C1CCCCC1 ZINC000653200763 431306167 /nfs/dbraw/zinc/30/61/67/431306167.db2.gz PBJUMCMHBWQJLH-WBVHZDCISA-N 2 1 309.498 2.535 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C)C1CCCCC1 ZINC000653200519 431306424 /nfs/dbraw/zinc/30/64/24/431306424.db2.gz HAKFIMLOIHJTDC-ZWKOTPCHSA-N 2 1 323.525 2.781 20 0 DFADMP C[C@@H]1CN(C[C@@H](O)C[N@@H+](C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746570 431271142 /nfs/dbraw/zinc/27/11/42/431271142.db2.gz CKNOHMRPTLGDCC-DYVFJYSZSA-N 2 1 322.880 2.757 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H](O)CN(C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746570 431271148 /nfs/dbraw/zinc/27/11/48/431271148.db2.gz CKNOHMRPTLGDCC-DYVFJYSZSA-N 2 1 322.880 2.757 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H](O)CN(C)C2CC2)CCc2ccc(Cl)cc21 ZINC000649746570 431271153 /nfs/dbraw/zinc/27/11/53/431271153.db2.gz CKNOHMRPTLGDCC-DYVFJYSZSA-N 2 1 322.880 2.757 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCC2)[C@@H](C)C1 ZINC000660307294 431371498 /nfs/dbraw/zinc/37/14/98/431371498.db2.gz WASRMCIIHJCQDQ-RYQLBKOJSA-N 2 1 312.498 2.528 20 0 DFADMP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660213578 431322594 /nfs/dbraw/zinc/32/25/94/431322594.db2.gz SROZNCITDOVIDS-QZTJIDSGSA-N 2 1 310.457 2.684 20 0 DFADMP CC(C)[C@H]([NH3+])C[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000666741074 431342692 /nfs/dbraw/zinc/34/26/92/431342692.db2.gz CQUFMODHJYKCQI-OAHLLOKOSA-N 2 1 312.417 2.906 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1Cc1ccc(OCc2cccnc2)cc1 ZINC000653279909 431348813 /nfs/dbraw/zinc/34/88/13/431348813.db2.gz JNPCOZZONKUKAI-YJBOKZPZSA-N 2 1 311.429 2.972 20 0 DFADMP c1cncc(C[NH2+]CCC[NH2+]Cc2cccc3cnccc32)c1 ZINC000666805499 431365250 /nfs/dbraw/zinc/36/52/50/431365250.db2.gz DDAQEWGUHWZSOX-UHFFFAOYSA-N 2 1 306.413 2.899 20 0 DFADMP Cc1cccn2c(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cnc12 ZINC000663345332 431376069 /nfs/dbraw/zinc/37/60/69/431376069.db2.gz IMFTYOJIPKLDJK-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1cccn2c(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cnc12 ZINC000663345332 431376075 /nfs/dbraw/zinc/37/60/75/431376075.db2.gz IMFTYOJIPKLDJK-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663347727 431376459 /nfs/dbraw/zinc/37/64/59/431376459.db2.gz UCCJMHVVZOYOOC-OAHLLOKOSA-N 2 1 304.482 2.919 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663347727 431376466 /nfs/dbraw/zinc/37/64/66/431376466.db2.gz UCCJMHVVZOYOOC-OAHLLOKOSA-N 2 1 304.482 2.919 20 0 DFADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cn1 ZINC000663347648 431376641 /nfs/dbraw/zinc/37/66/41/431376641.db2.gz RHQJGWZBNFUXPK-MRXNPFEDSA-N 2 1 304.482 2.850 20 0 DFADMP CC(C)(C)n1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663347648 431376648 /nfs/dbraw/zinc/37/66/48/431376648.db2.gz RHQJGWZBNFUXPK-MRXNPFEDSA-N 2 1 304.482 2.850 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[NH2+]CC2)c(OC(F)F)c1 ZINC000666855278 431387314 /nfs/dbraw/zinc/38/73/14/431387314.db2.gz JNAHTGVEWZPFEG-GFCCVEGCSA-N 2 1 300.349 2.528 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@@H+]([C@@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000660340435 431388796 /nfs/dbraw/zinc/38/87/96/431388796.db2.gz WGNPCDFRLQITRE-BMGDILEWSA-N 2 1 303.450 2.621 20 0 DFADMP Cc1[nH+]c2c(n1[C@H]1CC[N@H+]([C@@H]3CCCC[C@H]3O)C1)CCCC2 ZINC000660340435 431388803 /nfs/dbraw/zinc/38/88/03/431388803.db2.gz WGNPCDFRLQITRE-BMGDILEWSA-N 2 1 303.450 2.621 20 0 DFADMP CC[C@@H](O)C[NH2+]C[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000663369228 431389990 /nfs/dbraw/zinc/38/99/90/431389990.db2.gz ZESZMGJRWMQRDA-ZWKOTPCHSA-N 2 1 302.462 2.649 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(NC[C@]3(C)CCC[NH2+]C3)n2)C1 ZINC000653472367 431393255 /nfs/dbraw/zinc/39/32/55/431393255.db2.gz NXOUYELCNDQYOL-GOSISDBHSA-N 2 1 317.481 2.905 20 0 DFADMP C[C@@H]1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C[C@H]1C[NH3+] ZINC000653472463 431393568 /nfs/dbraw/zinc/39/35/68/431393568.db2.gz QUGVDNTUFNALDY-HUUCEWRRSA-N 2 1 317.481 2.524 20 0 DFADMP C[NH2+]C[C@@H]1CCCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C1 ZINC000653472518 431393719 /nfs/dbraw/zinc/39/37/19/431393719.db2.gz SIQBFKFUTYHESY-HNNXBMFYSA-N 2 1 317.481 2.539 20 0 DFADMP CCC(CC)(C[NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(F)cc1 ZINC000663381039 431395052 /nfs/dbraw/zinc/39/50/52/431395052.db2.gz YBNBUYLUFSXFAL-SFHVURJKSA-N 2 1 322.468 2.928 20 0 DFADMP CCC(CC)(C[NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(F)cc1 ZINC000663381039 431395056 /nfs/dbraw/zinc/39/50/56/431395056.db2.gz YBNBUYLUFSXFAL-SFHVURJKSA-N 2 1 322.468 2.928 20 0 DFADMP COc1ccc(C[N@H+](C)CCCc2c[nH+]cn2C)c(OC)c1 ZINC000653487606 431398604 /nfs/dbraw/zinc/39/86/04/431398604.db2.gz DISYOJRMMUGFBS-UHFFFAOYSA-N 2 1 303.406 2.502 20 0 DFADMP COc1ccc(C[N@@H+](C)CCCc2c[nH+]cn2C)c(OC)c1 ZINC000653487606 431398609 /nfs/dbraw/zinc/39/86/09/431398609.db2.gz DISYOJRMMUGFBS-UHFFFAOYSA-N 2 1 303.406 2.502 20 0 DFADMP c1nc(-c2ccccn2)sc1C[NH2+][C@H]1CC[NH2+]C2(CCC2)C1 ZINC000666996738 431439043 /nfs/dbraw/zinc/43/90/43/431439043.db2.gz CHFHYGXQZNKXLU-ZDUSSCGKSA-N 2 1 314.458 2.969 20 0 DFADMP CC[N@@H+](CCOc1ccccc1OC)C[C@H]1CC[NH2+][C@H](C)C1 ZINC000663503005 431449673 /nfs/dbraw/zinc/44/96/73/431449673.db2.gz LIFGQAZLTMGEEU-CVEARBPZSA-N 2 1 306.450 2.784 20 0 DFADMP COc1ccc(OC)c([C@@H](C)[NH2+]CCCc2c[nH+]cn2C)c1 ZINC000653598378 431452983 /nfs/dbraw/zinc/45/29/83/431452983.db2.gz XBJKRCPJNTVZFC-CYBMUJFWSA-N 2 1 303.406 2.721 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCCC1 ZINC000653602119 431455312 /nfs/dbraw/zinc/45/53/12/431455312.db2.gz OLPMIOGWSCMMQA-QZTJIDSGSA-N 2 1 308.441 2.959 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCc2ccc(C(C)(C)C)cc2C1 ZINC000653611029 431459083 /nfs/dbraw/zinc/45/90/83/431459083.db2.gz FEQWSVKLVHTORD-GOSISDBHSA-N 2 1 304.478 2.655 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C)n1 ZINC000663467222 431430765 /nfs/dbraw/zinc/43/07/65/431430765.db2.gz DSMKUURZODVWRQ-CXAGYDPISA-N 2 1 302.466 2.866 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C)n1 ZINC000663467222 431430773 /nfs/dbraw/zinc/43/07/73/431430773.db2.gz DSMKUURZODVWRQ-CXAGYDPISA-N 2 1 302.466 2.866 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)cn1 ZINC000663465977 431431383 /nfs/dbraw/zinc/43/13/83/431431383.db2.gz MMKMZCRNDAQIEQ-MAUKXSAKSA-N 2 1 317.477 2.733 20 0 DFADMP CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)C12CCC2 ZINC000663468553 431434017 /nfs/dbraw/zinc/43/40/17/431434017.db2.gz MBYYMOXIYHDUCV-LAVFITLUSA-N 2 1 306.494 2.902 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCCc2cncn2C)C1 ZINC000653556729 431434192 /nfs/dbraw/zinc/43/41/92/431434192.db2.gz FVYUIDIYCPLMCO-ZWKOTPCHSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCCc2cncn2C)C1 ZINC000653556729 431434197 /nfs/dbraw/zinc/43/41/97/431434197.db2.gz FVYUIDIYCPLMCO-ZWKOTPCHSA-N 2 1 318.509 2.939 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCCc2cncn2C)C1 ZINC000653556729 431434205 /nfs/dbraw/zinc/43/42/05/431434205.db2.gz FVYUIDIYCPLMCO-ZWKOTPCHSA-N 2 1 318.509 2.939 20 0 DFADMP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)[C@@H]2CCCO[C@H]21 ZINC000663471824 431435493 /nfs/dbraw/zinc/43/54/93/431435493.db2.gz YNWYLAJMFXREBE-WNRNVDISSA-N 2 1 306.494 2.902 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C(C)(C)C)n1 ZINC000656784140 431519304 /nfs/dbraw/zinc/51/93/04/431519304.db2.gz YXMSLGZMVXSAJK-INIZCTEOSA-N 2 1 318.509 2.929 20 0 DFADMP COCc1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]C3)CC2)cs1 ZINC000656784727 431520841 /nfs/dbraw/zinc/52/08/41/431520841.db2.gz GHOMJYDXDKLBQQ-CQSZACIVSA-N 2 1 309.479 2.501 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1OC ZINC000656785945 431522128 /nfs/dbraw/zinc/52/21/28/431522128.db2.gz NPTLXSOIMMLNBU-QGZVFWFLSA-N 2 1 318.461 2.915 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)CN1CCCC[C@@H]1Cc1ccccc1F ZINC000653779279 431524100 /nfs/dbraw/zinc/52/41/00/431524100.db2.gz SKPSFGWMDAMHHS-IAGOWNOFSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779279 431524118 /nfs/dbraw/zinc/52/41/18/431524118.db2.gz SKPSFGWMDAMHHS-IAGOWNOFSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCCC[C@@H]1Cc1ccccc1F ZINC000653779279 431524123 /nfs/dbraw/zinc/52/41/23/431524123.db2.gz SKPSFGWMDAMHHS-IAGOWNOFSA-N 2 1 308.441 2.535 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN(C)Cc1oc2c(cccc2C)c1C ZINC000653778853 431524507 /nfs/dbraw/zinc/52/45/07/431524507.db2.gz GVECEUVUYPKXGG-HNNXBMFYSA-N 2 1 304.434 2.794 20 0 DFADMP C[C@@H]1C[C@H](NCC2([NH3+])CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000656789094 431525736 /nfs/dbraw/zinc/52/57/36/431525736.db2.gz IVFLGRUFZBUFNN-SJLPKXTDSA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(OCC(F)(F)F)cc2)CCCC1 ZINC000656788411 431526131 /nfs/dbraw/zinc/52/61/31/431526131.db2.gz OCJLLNYCSDTGQK-UHFFFAOYSA-N 2 1 302.340 2.989 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)C1 ZINC000647249407 431529394 /nfs/dbraw/zinc/52/93/94/431529394.db2.gz YETYQLJDSFKFRX-MKXGPGLRSA-N 2 1 302.462 2.879 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@H]1C)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000660651494 431529986 /nfs/dbraw/zinc/52/99/86/431529986.db2.gz AMMNRYRRJTUBAA-YWTNHNAXSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CO1 ZINC000647253217 431531064 /nfs/dbraw/zinc/53/10/64/431531064.db2.gz YHSLKTNPKNLLIV-KDOFPFPSSA-N 2 1 306.425 2.600 20 0 DFADMP Cc1cc(CN(C)CCC[N@@H+](C)Cc2ccco2)nc(C)n1 ZINC000660548355 431483422 /nfs/dbraw/zinc/48/34/22/431483422.db2.gz LROQWVGIUNPESA-UHFFFAOYSA-N 2 1 302.422 2.640 20 0 DFADMP Cc1cc(C[N@@H+](C)CCCN(C)Cc2ccco2)nc(C)n1 ZINC000660548355 431483429 /nfs/dbraw/zinc/48/34/29/431483429.db2.gz LROQWVGIUNPESA-UHFFFAOYSA-N 2 1 302.422 2.640 20 0 DFADMP Cc1cc(C[N@H+](C)CCCN(C)Cc2ccco2)nc(C)n1 ZINC000660548355 431483437 /nfs/dbraw/zinc/48/34/37/431483437.db2.gz LROQWVGIUNPESA-UHFFFAOYSA-N 2 1 302.422 2.640 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000656695860 431483560 /nfs/dbraw/zinc/48/35/60/431483560.db2.gz SUWGSKPDBQTWRM-MSOLQXFVSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000656695860 431483566 /nfs/dbraw/zinc/48/35/66/431483566.db2.gz SUWGSKPDBQTWRM-MSOLQXFVSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000656695860 431483574 /nfs/dbraw/zinc/48/35/74/431483574.db2.gz SUWGSKPDBQTWRM-MSOLQXFVSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCC[C@@H]1Cc1cccc(F)c1 ZINC000656695860 431483581 /nfs/dbraw/zinc/48/35/81/431483581.db2.gz SUWGSKPDBQTWRM-MSOLQXFVSA-N 2 1 308.441 2.534 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000653675909 431485414 /nfs/dbraw/zinc/48/54/14/431485414.db2.gz YCSPREUKIPUBNQ-KBPBESRZSA-N 2 1 304.409 2.942 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000653675909 431485422 /nfs/dbraw/zinc/48/54/22/431485422.db2.gz YCSPREUKIPUBNQ-KBPBESRZSA-N 2 1 304.409 2.942 20 0 DFADMP C[N@H+]1CC[C@]2(C1)CCC[NH+](CCC(=O)Nc1ccccc1F)C2 ZINC000660655862 431531966 /nfs/dbraw/zinc/53/19/66/431531966.db2.gz QJYDEJFUFXMIRW-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@H+](CCC(=O)Nc1ccccc1F)C2 ZINC000660655862 431531973 /nfs/dbraw/zinc/53/19/73/431531973.db2.gz QJYDEJFUFXMIRW-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CC[C@]2(C1)CCC[N@@H+](CCC(=O)Nc1ccccc1F)C2 ZINC000660655862 431531980 /nfs/dbraw/zinc/53/19/80/431531980.db2.gz QJYDEJFUFXMIRW-SFHVURJKSA-N 2 1 319.424 2.572 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000647172163 431492534 /nfs/dbraw/zinc/49/25/34/431492534.db2.gz KWHYMYUUGCTITF-ROUUACIJSA-N 2 1 310.445 2.897 20 0 DFADMP Cc1ccccc1-n1cc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000647172163 431492539 /nfs/dbraw/zinc/49/25/39/431492539.db2.gz KWHYMYUUGCTITF-ROUUACIJSA-N 2 1 310.445 2.897 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562747 431494349 /nfs/dbraw/zinc/49/43/49/431494349.db2.gz NTPDVMAJKPNCFE-HZSPNIEDSA-N 2 1 310.404 2.740 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562747 431494353 /nfs/dbraw/zinc/49/43/53/431494353.db2.gz NTPDVMAJKPNCFE-HZSPNIEDSA-N 2 1 310.404 2.740 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562747 431494357 /nfs/dbraw/zinc/49/43/57/431494357.db2.gz NTPDVMAJKPNCFE-HZSPNIEDSA-N 2 1 310.404 2.740 20 0 DFADMP C[C@H](CN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000647179566 431495419 /nfs/dbraw/zinc/49/54/19/431495419.db2.gz DRUPVQYAXBTZEE-AEFFLSMTSA-N 2 1 301.478 2.723 20 0 DFADMP Cc1cc(CO)cc(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)n1 ZINC000663711409 431508935 /nfs/dbraw/zinc/50/89/35/431508935.db2.gz KWWBFEOJXVGONW-MAUKXSAKSA-N 2 1 311.429 2.957 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000660697975 431556303 /nfs/dbraw/zinc/55/63/03/431556303.db2.gz MBFUQOZVFBFOTM-MSOLQXFVSA-N 2 1 302.462 2.615 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCC[NH+]1CCC(O)CC1)c1ccncc1 ZINC000647284530 431534996 /nfs/dbraw/zinc/53/49/96/431534996.db2.gz UAXPFJPDEOJERH-GOSISDBHSA-N 2 1 305.466 2.605 20 0 DFADMP CCN(CCC[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1)CC(F)(F)F ZINC000660661772 431534953 /nfs/dbraw/zinc/53/49/53/431534953.db2.gz GHJZZVGSPFLPHQ-OAHLLOKOSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(CCC[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1)CC(F)(F)F ZINC000660661772 431534961 /nfs/dbraw/zinc/53/49/61/431534961.db2.gz GHJZZVGSPFLPHQ-OAHLLOKOSA-N 2 1 321.431 2.678 20 0 DFADMP CCN(CCC[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1)CC(F)(F)F ZINC000660661772 431534966 /nfs/dbraw/zinc/53/49/66/431534966.db2.gz GHJZZVGSPFLPHQ-OAHLLOKOSA-N 2 1 321.431 2.678 20 0 DFADMP CSc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CCO)CC1)CCC2 ZINC000647296328 431541210 /nfs/dbraw/zinc/54/12/10/431541210.db2.gz BKJRYBXSMIVEJE-GOSISDBHSA-N 2 1 320.502 2.832 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CCC([NH2+]Cc2ccccc2)CC1 ZINC000660678703 431548114 /nfs/dbraw/zinc/54/81/14/431548114.db2.gz ZCASQHLQYSPXBJ-OAQYLSRUSA-N 2 1 324.468 2.844 20 0 DFADMP C[C@H]1C[C@H](NC2CC[NH+](Cc3ccccc3)CC2)CC[N@H+]1C ZINC000174514294 280008522 /nfs/dbraw/zinc/00/85/22/280008522.db2.gz MBBLXPVEYUQWOP-QFBILLFUSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@H]1Cc2ccc(F)cc2[C@H]1[NH2+]C[C@H](O)C[NH+]1CCC(C)CC1 ZINC000158999421 280025647 /nfs/dbraw/zinc/02/56/47/280025647.db2.gz VLXYBOLEWDZUJV-FNHZYXHNSA-N 2 1 320.452 2.741 20 0 DFADMP Cc1cccc2nc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cn21 ZINC000647364101 431566103 /nfs/dbraw/zinc/56/61/03/431566103.db2.gz RUQXJRKVKXCYRC-KURKYZTESA-N 2 1 312.461 2.648 20 0 DFADMP CC(C)[C@H](CO)[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000245704237 280260654 /nfs/dbraw/zinc/26/06/54/280260654.db2.gz RVHFJGRQJGGJHM-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H](CO)[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000245704237 280260658 /nfs/dbraw/zinc/26/06/58/280260658.db2.gz RVHFJGRQJGGJHM-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H](CO)[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000245704237 280260662 /nfs/dbraw/zinc/26/06/62/280260662.db2.gz RVHFJGRQJGGJHM-MOPGFXCFSA-N 2 1 304.478 2.990 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)NCc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000164591185 280274703 /nfs/dbraw/zinc/27/47/03/280274703.db2.gz NKZGIWHXJWDMQS-QAPCUYQASA-N 2 1 317.477 2.661 20 0 DFADMP C([NH+]1C[C@@H]2C[C@H]1CS2)C1(C[N@@H+]2C[C@@H]3C[C@H]2CS3)CCC1 ZINC000660780577 431595318 /nfs/dbraw/zinc/59/53/18/431595318.db2.gz RZDYOPARLGUMBJ-AJNGGQMLSA-N 2 1 310.532 2.536 20 0 DFADMP C([NH+]1C[C@@H]2C[C@H]1CS2)C1(C[N@H+]2C[C@@H]3C[C@H]2CS3)CCC1 ZINC000660780577 431595324 /nfs/dbraw/zinc/59/53/24/431595324.db2.gz RZDYOPARLGUMBJ-AJNGGQMLSA-N 2 1 310.532 2.536 20 0 DFADMP CCOc1cc(C[N@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC ZINC000647482878 431603850 /nfs/dbraw/zinc/60/38/50/431603850.db2.gz FJOKCUNSXAGFJT-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1cc(C[N@@H+](C2CC2)C2CC[NH2+]CC2)ccc1OC ZINC000647482878 431603860 /nfs/dbraw/zinc/60/38/60/431603860.db2.gz FJOKCUNSXAGFJT-UHFFFAOYSA-N 2 1 304.434 2.810 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@@H+](Cc3ccc(F)c(F)c3)C2)C1 ZINC000650705866 431652885 /nfs/dbraw/zinc/65/28/85/431652885.db2.gz ZFTOOUFLHNBGAE-CKEIUWERSA-N 2 1 310.388 2.683 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1CC[NH3+] ZINC000650711024 431656498 /nfs/dbraw/zinc/65/64/98/431656498.db2.gz GMEUWSNIUWVHON-QFBILLFUSA-N 3 1 319.493 2.576 20 0 DFADMP C[N@@H+](CCCNCc1cn(C2CCC2)nn1)C1CCCCC1 ZINC000657297175 431656644 /nfs/dbraw/zinc/65/66/44/431656644.db2.gz DXGVVDINTLJNRV-UHFFFAOYSA-N 2 1 305.470 2.747 20 0 DFADMP CCOc1ccc(C[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)cc1OC ZINC000650708724 431656937 /nfs/dbraw/zinc/65/69/37/431656937.db2.gz JVMYCAYQYLMFHE-YJBOKZPZSA-N 2 1 304.434 2.655 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])s1 ZINC000650711357 431657328 /nfs/dbraw/zinc/65/73/28/431657328.db2.gz QVEJMNDVOHXAAK-HIFRSBDPSA-N 2 1 310.511 2.939 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650708377 431657615 /nfs/dbraw/zinc/65/76/15/431657615.db2.gz YVLJAXUVBKGGDA-QGTPRVQTSA-N 2 1 306.425 2.852 20 0 DFADMP CCCn1nc(C)c(C[NH2+]Cc2ccc(C[NH3+])cc2F)c1C ZINC000650718032 431662020 /nfs/dbraw/zinc/66/20/20/431662020.db2.gz VMPONWRGCXMOSU-UHFFFAOYSA-N 2 1 304.413 2.798 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cn1 ZINC000650708317 431658262 /nfs/dbraw/zinc/65/82/62/431658262.db2.gz XRQCJUBZBFCIGS-IPMKNSEASA-N 2 1 317.477 2.541 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+](C)CC[C@@H]([NH3+])C(C)C)o1 ZINC000647505788 431608865 /nfs/dbraw/zinc/60/88/65/431608865.db2.gz DBPLUTQRPJNUFD-OAHLLOKOSA-N 2 1 304.438 2.794 20 0 DFADMP CC[C@H]1C[N@H+](Cc2c(F)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000647498638 431609601 /nfs/dbraw/zinc/60/96/01/431609601.db2.gz LOJYNMCTFHPPRJ-WMLDXEAASA-N 2 1 305.441 2.985 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c(F)cccc2N2CCCC2)CC[C@H]1[NH3+] ZINC000647498638 431609608 /nfs/dbraw/zinc/60/96/08/431609608.db2.gz LOJYNMCTFHPPRJ-WMLDXEAASA-N 2 1 305.441 2.985 20 0 DFADMP Cc1ccc(-c2nn(C)cc2C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@H]3C2)o1 ZINC000647511819 431611843 /nfs/dbraw/zinc/61/18/43/431611843.db2.gz ILBQRVANDJHMKZ-BPUTZDHNSA-N 2 1 314.433 2.548 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1C[NH3+] ZINC000650714792 431660745 /nfs/dbraw/zinc/66/07/45/431660745.db2.gz CAILAOVPSDKUGG-VQIMIIECSA-N 2 1 318.461 2.804 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2cccc(OC3CCCC3)c2)C[C@H]1C[NH3+] ZINC000650714792 431660750 /nfs/dbraw/zinc/66/07/50/431660750.db2.gz CAILAOVPSDKUGG-VQIMIIECSA-N 2 1 318.461 2.804 20 0 DFADMP c1c2ccccc2oc1CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000261845116 280462857 /nfs/dbraw/zinc/46/28/57/280462857.db2.gz AQJXGWLXPGALRB-RCCFBDPRSA-N 2 1 314.429 2.722 20 0 DFADMP COc1ccc(C[NH+]2CCC(C)([NH3+])CC2)cc1OC(F)F ZINC000647531451 431617380 /nfs/dbraw/zinc/61/73/80/431617380.db2.gz XQNZQOQEVRFHNT-UHFFFAOYSA-N 2 1 300.349 2.610 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2ncccc2C(F)(F)F)C1 ZINC000657182733 431619719 /nfs/dbraw/zinc/61/97/19/431619719.db2.gz MWOVBASZDCSWDE-LBPRGKRZSA-N 2 1 301.356 2.922 20 0 DFADMP c1cc2c(c(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)c1)OCO2 ZINC000647542944 431623857 /nfs/dbraw/zinc/62/38/57/431623857.db2.gz FAVXDTGZRLBEBL-LSDHHAIUSA-N 2 1 302.418 2.627 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543870 431624261 /nfs/dbraw/zinc/62/42/61/431624261.db2.gz TUVRTTHALCYVSD-GJZGRUSLSA-N 2 1 304.482 2.919 20 0 DFADMP C(c1nc2c(s1)CCCC2)[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545729 431624698 /nfs/dbraw/zinc/62/46/98/431624698.db2.gz JVLFVCOXNRGAIB-KBPBESRZSA-N 2 1 305.491 2.843 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c(C(C)(C)C)n1 ZINC000647543882 431624986 /nfs/dbraw/zinc/62/49/86/431624986.db2.gz TWCGXRYDJPFAPQ-HOTGVXAUSA-N 2 1 318.509 2.929 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1OC ZINC000647543912 431625056 /nfs/dbraw/zinc/62/50/56/431625056.db2.gz UJGUOSIYLMFBOP-SJORKVTESA-N 2 1 318.461 2.915 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000647544256 431625919 /nfs/dbraw/zinc/62/59/19/431625919.db2.gz YTIQVGQECZVNPV-MSOLQXFVSA-N 2 1 315.461 2.857 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543524 431626064 /nfs/dbraw/zinc/62/60/64/431626064.db2.gz ORXBYXASJZKIII-SJORKVTESA-N 2 1 315.461 2.857 20 0 DFADMP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(-c2ccncc2)nc1C ZINC000650719151 431661248 /nfs/dbraw/zinc/66/12/48/431661248.db2.gz FUQJFRIEKWSEGX-UHFFFAOYSA-N 2 1 321.428 2.585 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650721867 431664423 /nfs/dbraw/zinc/66/44/23/431664423.db2.gz DTMVLUJFXQVYLS-LMMKCTJWSA-N 2 1 318.461 2.864 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1cn(C2CCC2)nn1 ZINC000657311486 431664779 /nfs/dbraw/zinc/66/47/79/431664779.db2.gz LFGPRJHTUKEOHL-OAHLLOKOSA-N 2 1 305.470 2.747 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1F ZINC000650723414 431666462 /nfs/dbraw/zinc/66/64/62/431666462.db2.gz NMEWTXAHXDAVAV-JQHSSLGASA-N 2 1 306.425 2.995 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@H+]2Cc2scnc2C2CC2)C1 ZINC000650725214 431667833 /nfs/dbraw/zinc/66/78/33/431667833.db2.gz VVILKLVHRLHUJR-QLFBSQMISA-N 2 1 321.490 2.881 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@H]1[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000650741446 431674396 /nfs/dbraw/zinc/67/43/96/431674396.db2.gz DRNYNPGWBWLYPP-QTMHVTGLSA-N 2 1 300.446 2.598 20 0 DFADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000650756315 431681627 /nfs/dbraw/zinc/68/16/27/431681627.db2.gz ZIDPVPQOYODIDC-GBESFXJTSA-N 2 1 301.478 2.806 20 0 DFADMP Cc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)c(C)c1 ZINC000647786081 431684867 /nfs/dbraw/zinc/68/48/67/431684867.db2.gz HPRWSWNELBAIBE-ZCNNSNEGSA-N 2 1 316.489 2.983 20 0 DFADMP c1ccc([C@H]2C[C@@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000647800396 431691034 /nfs/dbraw/zinc/69/10/34/431691034.db2.gz ANUPVGXJWSKWKT-FVVUREQNSA-N 2 1 300.446 2.537 20 0 DFADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000647796936 431691342 /nfs/dbraw/zinc/69/13/42/431691342.db2.gz RJJCIYLMFSQWDU-SFNKJDCFSA-N 3 1 305.510 2.761 20 0 DFADMP C([NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN1C1CCCCC1 ZINC000647796936 431691345 /nfs/dbraw/zinc/69/13/45/431691345.db2.gz RJJCIYLMFSQWDU-SFNKJDCFSA-N 2 1 305.510 2.761 20 0 DFADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000647796935 431691995 /nfs/dbraw/zinc/69/19/95/431691995.db2.gz RJJCIYLMFSQWDU-IMBTUZDBSA-N 3 1 305.510 2.761 20 0 DFADMP C([NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1)[C@H]1CCCN1C1CCCCC1 ZINC000647796935 431691998 /nfs/dbraw/zinc/69/19/98/431691998.db2.gz RJJCIYLMFSQWDU-IMBTUZDBSA-N 2 1 305.510 2.761 20 0 DFADMP Cc1cccc2[nH]c(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)cc21 ZINC000657355890 431695560 /nfs/dbraw/zinc/69/55/60/431695560.db2.gz CWJAABDFIRIXMR-KRWDZBQOSA-N 2 1 315.461 2.803 20 0 DFADMP CC[N@@H+](CCCC1CC[NH2+]CC1)C[C@@H]1COc2ccccc2O1 ZINC000647872332 431713690 /nfs/dbraw/zinc/71/36/90/431713690.db2.gz XEDKEBKOPGZXNX-QGZVFWFLSA-N 2 1 318.461 2.928 20 0 DFADMP Cn1cc[nH+]c1C[C@@H](NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000657382203 431713789 /nfs/dbraw/zinc/71/37/89/431713789.db2.gz SDXDXEJTUMWTCW-GOSISDBHSA-N 2 1 321.428 2.636 20 0 DFADMP C[C@@H](CCNc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[NH+](C)C ZINC000664244538 431711993 /nfs/dbraw/zinc/71/19/93/431711993.db2.gz LNJPPMPPLPOFSJ-AWEZNQCLSA-N 2 1 305.470 2.855 20 0 DFADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000650721749 431664021 /nfs/dbraw/zinc/66/40/21/431664021.db2.gz ABZRWEFCYWIBFG-QXAKKESOSA-N 2 1 318.461 2.946 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661090940 431726861 /nfs/dbraw/zinc/72/68/61/431726861.db2.gz IKXJBQHJEBQWIV-SFHVURJKSA-N 2 1 301.434 2.507 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C)[C@H](CO)Cc1ccccc1 ZINC000661090940 431726868 /nfs/dbraw/zinc/72/68/68/431726868.db2.gz IKXJBQHJEBQWIV-SFHVURJKSA-N 2 1 301.434 2.507 20 0 DFADMP CC[N@H+]1CCC[C@H](CN(C)c2ccccn2)[C@@H]1c1cnn(C)c1 ZINC000664295377 431726906 /nfs/dbraw/zinc/72/69/06/431726906.db2.gz MTUBMTCWWJEONL-CRAIPNDOSA-N 2 1 313.449 2.725 20 0 DFADMP CO[C@](C)(C[N@H+]1CC[C@@H](n2cnc3c2CCCC3)C1)C1CC1 ZINC000647912543 431727154 /nfs/dbraw/zinc/72/71/54/431727154.db2.gz MSCDZXPURPPAMN-CRAIPNDOSA-N 2 1 303.450 2.824 20 0 DFADMP Cc1cccc(NC(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C)c1C ZINC000664314426 431734127 /nfs/dbraw/zinc/73/41/27/431734127.db2.gz KPDNJONOFGDUNZ-HNNXBMFYSA-N 2 1 320.481 2.697 20 0 DFADMP Cc1cccc(NC(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C)c1C ZINC000664314426 431734132 /nfs/dbraw/zinc/73/41/32/431734132.db2.gz KPDNJONOFGDUNZ-HNNXBMFYSA-N 2 1 320.481 2.697 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2SC)CC[C@H]1[NH3+] ZINC000647938303 431739666 /nfs/dbraw/zinc/73/96/66/431739666.db2.gz JHRVZKJKPXMLSW-ZIAGYGMSSA-N 2 1 321.490 2.796 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657431646 431748873 /nfs/dbraw/zinc/74/88/73/431748873.db2.gz ZVQSVXHVIFYDNN-AEFFLSMTSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657431646 431748878 /nfs/dbraw/zinc/74/88/78/431748878.db2.gz ZVQSVXHVIFYDNN-AEFFLSMTSA-N 2 1 324.472 2.830 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCCC[C@H]1Cc1ccccc1 ZINC000647962293 431751431 /nfs/dbraw/zinc/75/14/31/431751431.db2.gz XROWLURYSNAWBJ-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000647962293 431751439 /nfs/dbraw/zinc/75/14/39/431751439.db2.gz XROWLURYSNAWBJ-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CCCC[C@H]1Cc1ccccc1 ZINC000647962293 431751443 /nfs/dbraw/zinc/75/14/43/431751443.db2.gz XROWLURYSNAWBJ-OALUTQOASA-N 2 1 304.478 2.785 20 0 DFADMP Cc1ccc(C(C)(C)C[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C)cc1 ZINC000647965018 431756171 /nfs/dbraw/zinc/75/61/71/431756171.db2.gz BXMPIJGSYMACNH-SFHVURJKSA-N 2 1 306.494 2.906 20 0 DFADMP Cc1ccc(C(C)(C)C[NH+](C)C[C@H](O)C[N@H+](C)C(C)C)cc1 ZINC000647965018 431756178 /nfs/dbraw/zinc/75/61/78/431756178.db2.gz BXMPIJGSYMACNH-SFHVURJKSA-N 2 1 306.494 2.906 20 0 DFADMP Cc1ccc(C(C)(C)C[N@@H+](C)C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647965018 431756187 /nfs/dbraw/zinc/75/61/87/431756187.db2.gz BXMPIJGSYMACNH-SFHVURJKSA-N 2 1 306.494 2.906 20 0 DFADMP Cc1ccc(C(C)(C)C[N@H+](C)C[C@H](O)C[NH+](C)C(C)C)cc1 ZINC000647965018 431756193 /nfs/dbraw/zinc/75/61/93/431756193.db2.gz BXMPIJGSYMACNH-SFHVURJKSA-N 2 1 306.494 2.906 20 0 DFADMP CC(C)C[C@H](C)N(C)C(=O)C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647978281 431761593 /nfs/dbraw/zinc/76/15/93/431761593.db2.gz PIBJBXGVHOKFAM-KSZLIROESA-N 2 1 323.525 2.591 20 0 DFADMP O=C(C[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)NC1CCCCCC1 ZINC000647975271 431761610 /nfs/dbraw/zinc/76/16/10/431761610.db2.gz TYYQAXMLQZJDPP-SJORKVTESA-N 2 1 321.509 2.537 20 0 DFADMP O=C(CC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1)Nc1ccccc1 ZINC000647976770 431762903 /nfs/dbraw/zinc/76/29/03/431762903.db2.gz TZMZOARAASKXLD-SJORKVTESA-N 2 1 315.461 2.727 20 0 DFADMP COc1cccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647977754 431763433 /nfs/dbraw/zinc/76/34/33/431763433.db2.gz HBUHENBBHYYUSQ-IAGOWNOFSA-N 2 1 318.461 2.786 20 0 DFADMP Cn1cc[nH+]c1C[C@H](NCc1cc2n(n1)CCC2)c1ccccc1 ZINC000657382206 431714697 /nfs/dbraw/zinc/71/46/97/431714697.db2.gz SDXDXEJTUMWTCW-SFHVURJKSA-N 2 1 321.428 2.636 20 0 DFADMP C[C@@H](CCNCc1cnn2c1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000657382620 431715531 /nfs/dbraw/zinc/71/55/31/431715531.db2.gz HCZHZUZUILGPNZ-INIZCTEOSA-N 2 1 312.461 2.830 20 0 DFADMP C[C@@H](CC[NH2+]Cc1cnn2c1CCC2)[N@H+](C)Cc1ccccc1 ZINC000657382620 431715534 /nfs/dbraw/zinc/71/55/34/431715534.db2.gz HCZHZUZUILGPNZ-INIZCTEOSA-N 2 1 312.461 2.830 20 0 DFADMP C[C@@H](CC[NH2+]Cc1cnn2c1CCC2)[N@@H+](C)Cc1ccccc1 ZINC000657382620 431715540 /nfs/dbraw/zinc/71/55/40/431715540.db2.gz HCZHZUZUILGPNZ-INIZCTEOSA-N 2 1 312.461 2.830 20 0 DFADMP CC(C)(C)C(=O)NC[C@@H]1CCC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000647884643 431718099 /nfs/dbraw/zinc/71/80/99/431718099.db2.gz TWBPHOVHFQBGAA-KRWDZBQOSA-N 2 1 323.525 2.641 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657386079 431718674 /nfs/dbraw/zinc/71/86/74/431718674.db2.gz AMTFIDUXTRFWAX-APWZRJJASA-N 2 1 324.472 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1cnn2c1CCC2 ZINC000657386079 431718680 /nfs/dbraw/zinc/71/86/80/431718680.db2.gz AMTFIDUXTRFWAX-APWZRJJASA-N 2 1 324.472 2.830 20 0 DFADMP CC(C)(C)[N@@H+]1CC[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000657562911 431810679 /nfs/dbraw/zinc/81/06/79/431810679.db2.gz KSPUJSFWBZIIIG-AWEZNQCLSA-N 2 1 321.431 2.866 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](NC2CC[NH+](CCC(F)(F)F)CC2)C1 ZINC000657562911 431810682 /nfs/dbraw/zinc/81/06/82/431810682.db2.gz KSPUJSFWBZIIIG-AWEZNQCLSA-N 2 1 321.431 2.866 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000647990873 431766394 /nfs/dbraw/zinc/76/63/94/431766394.db2.gz RCJAJOHVIFMHDF-IEBWSBKVSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000647990873 431766398 /nfs/dbraw/zinc/76/63/98/431766398.db2.gz RCJAJOHVIFMHDF-IEBWSBKVSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000647990873 431766403 /nfs/dbraw/zinc/76/64/03/431766403.db2.gz RCJAJOHVIFMHDF-IEBWSBKVSA-N 3 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000647990873 431766406 /nfs/dbraw/zinc/76/64/06/431766406.db2.gz RCJAJOHVIFMHDF-IEBWSBKVSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)C[N@H+]1CC[C@@H]2[C@H](CCCN2C2CC2)C1 ZINC000647990873 431766411 /nfs/dbraw/zinc/76/64/11/431766411.db2.gz RCJAJOHVIFMHDF-IEBWSBKVSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000647990873 431766415 /nfs/dbraw/zinc/76/64/15/431766415.db2.gz RCJAJOHVIFMHDF-IEBWSBKVSA-N 2 1 305.510 2.715 20 0 DFADMP C(CC1CC[NH2+]CC1)CN1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000647990873 431766416 /nfs/dbraw/zinc/76/64/16/431766416.db2.gz RCJAJOHVIFMHDF-IEBWSBKVSA-N 2 1 305.510 2.715 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCCC[C@@H]1C1CCC1 ZINC000647997665 431770396 /nfs/dbraw/zinc/77/03/96/431770396.db2.gz XTVDOTMNHUWARW-OTWHNJEPSA-N 2 1 302.462 2.572 20 0 DFADMP CCC[N@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000657470859 431772234 /nfs/dbraw/zinc/77/22/34/431772234.db2.gz VHMVVFXQUGIADA-YESZJQIVSA-N 2 1 322.497 2.598 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)[NH2+]C[C@@H]1CCCO[C@H]1c1nccn1C ZINC000657470859 431772242 /nfs/dbraw/zinc/77/22/42/431772242.db2.gz VHMVVFXQUGIADA-YESZJQIVSA-N 2 1 322.497 2.598 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000664455694 431782611 /nfs/dbraw/zinc/78/26/11/431782611.db2.gz DCKFATHJGDFAIG-UHFFFAOYSA-N 2 1 320.481 2.990 20 0 DFADMP Cc1ccccc1NC(=O)C[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000369446792 281350106 /nfs/dbraw/zinc/35/01/06/281350106.db2.gz YYYQYHHCPJKGLY-LSDHHAIUSA-N 2 1 312.417 2.513 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1 ZINC000357151176 282010548 /nfs/dbraw/zinc/01/05/48/282010548.db2.gz SLUGXNCEPBAIHU-HOTGVXAUSA-N 2 1 311.514 2.637 20 0 DFADMP Cc1[nH+]c2ccccc2c(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c1C ZINC000302088409 282073175 /nfs/dbraw/zinc/07/31/75/282073175.db2.gz OJOWKKMOZJQOSR-UONOGXRCSA-N 2 1 313.445 2.743 20 0 DFADMP c1ccc(-c2nnc(CN3C[C@@H]4C[N@H+]5CCCC[C@@H]5[C@@H]4C3)o2)cc1 ZINC000363416362 289091968 /nfs/dbraw/zinc/09/19/68/289091968.db2.gz ZZTPBNNIYWCGQU-BRWVUGGUSA-N 2 1 324.428 2.653 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCC[C@H]([NH3+])C1)c1ccccc1Cl ZINC000178662299 289362005 /nfs/dbraw/zinc/36/20/05/289362005.db2.gz ZWHJXEXPSUVMMV-HEHGZKQESA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H]1CN(C[C@@H]2CCC[NH2+]C2)[C@@H](C)C[N@H+]1Cc1ccccc1 ZINC000261774096 297019992 /nfs/dbraw/zinc/01/99/92/297019992.db2.gz DYQJCQXKAMGNDV-ZIFCJYIRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H](C1CC1)[NH+](C)C ZINC000360414204 297032309 /nfs/dbraw/zinc/03/23/09/297032309.db2.gz ORYFURPKKPLSBW-UXPWSPDFSA-N 2 1 315.505 2.827 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2cccc(CSC)c2)CC1 ZINC000437107712 297054437 /nfs/dbraw/zinc/05/44/37/297054437.db2.gz BRSBLTBQMRAHIX-UHFFFAOYSA-N 2 1 308.491 2.750 20 0 DFADMP CCC[C@@H](C(=O)NC[C@@H]1CCC[N@H+]1C1CCCCC1)[NH+](C)C ZINC000437875488 297072880 /nfs/dbraw/zinc/07/28/80/297072880.db2.gz LRFCQPOSJMFRIT-IRXDYDNUSA-N 2 1 309.498 2.630 20 0 DFADMP C[C@H](O)C[N@H+](C)C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000438107291 297080538 /nfs/dbraw/zinc/08/05/38/297080538.db2.gz UUIANEARUHGLIJ-CABCVRRESA-N 2 1 308.441 2.706 20 0 DFADMP C[C@H](O)C[N@@H+](C)C1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000438107291 297080539 /nfs/dbraw/zinc/08/05/39/297080539.db2.gz UUIANEARUHGLIJ-CABCVRRESA-N 2 1 308.441 2.706 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CC[C@H]3CCOC3)CC2)C[C@H](C)O1 ZINC000438114859 297081095 /nfs/dbraw/zinc/08/10/95/297081095.db2.gz PIWMBTMGLSAVLN-SCTDSRPQSA-N 2 1 324.509 2.624 20 0 DFADMP COc1ccc([C@@H](C)[C@H](C)[NH2+]C2CC[NH+](C)CC2)cc1OC ZINC000280009519 295210312 /nfs/dbraw/zinc/21/03/12/295210312.db2.gz SKJSQTMFGIJJTG-KBPBESRZSA-N 2 1 306.450 2.880 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)CCCO2 ZINC000361763356 295276445 /nfs/dbraw/zinc/27/64/45/295276445.db2.gz HRBRYWVLFFWJTL-GRDNDAEWSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)CCCO2 ZINC000361763356 295276446 /nfs/dbraw/zinc/27/64/46/295276446.db2.gz HRBRYWVLFFWJTL-GRDNDAEWSA-N 2 1 304.434 2.981 20 0 DFADMP COc1cccc(C[N@@H+](C[C@H]2CCCO2)CC2CC[NH2+]CC2)c1 ZINC000178966262 295296882 /nfs/dbraw/zinc/29/68/82/295296882.db2.gz BTKZZPIZMAWSPC-LJQANCHMSA-N 2 1 318.461 2.676 20 0 DFADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)CCN1CC(F)F ZINC000154403465 295299347 /nfs/dbraw/zinc/29/93/47/295299347.db2.gz CAVKKCQIRZGJMS-HNNXBMFYSA-N 2 1 314.424 2.633 20 0 DFADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)CCN1CC(F)F ZINC000154403465 295299348 /nfs/dbraw/zinc/29/93/48/295299348.db2.gz CAVKKCQIRZGJMS-HNNXBMFYSA-N 2 1 314.424 2.633 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC(F)F ZINC000156058931 295330388 /nfs/dbraw/zinc/33/03/88/295330388.db2.gz WOWBTJSESJPDMN-PWSUYJOCSA-N 2 1 300.349 2.608 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H]([NH3+])C[C@H]2C)cc1OC(F)F ZINC000156058931 295330389 /nfs/dbraw/zinc/33/03/89/295330389.db2.gz WOWBTJSESJPDMN-PWSUYJOCSA-N 2 1 300.349 2.608 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@H+](CCOC[C@@H]3CCCO3)C2)CC1 ZINC000158058526 295357357 /nfs/dbraw/zinc/35/73/57/295357357.db2.gz HFYUBIKXOBKWTQ-MOPGFXCFSA-N 2 1 324.509 2.626 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCC[N@@H+](CCOC[C@@H]3CCCO3)C2)CC1 ZINC000158058526 295357361 /nfs/dbraw/zinc/35/73/61/295357361.db2.gz HFYUBIKXOBKWTQ-MOPGFXCFSA-N 2 1 324.509 2.626 20 0 DFADMP CCCCNC(=O)C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000158988032 295370515 /nfs/dbraw/zinc/37/05/15/295370515.db2.gz ZEJIYIJYESBIGS-KRWDZBQOSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(=O)N(C)C(C)C)cc1 ZINC000411473812 295541706 /nfs/dbraw/zinc/54/17/06/295541706.db2.gz KNFLOGSYDBAFLP-AWEZNQCLSA-N 2 1 314.433 2.698 20 0 DFADMP OCC[N@@H+](Cc1ccc(-n2ccnc2)cc1)C1CCSCC1 ZINC000439016728 297112114 /nfs/dbraw/zinc/11/21/14/297112114.db2.gz ZHSYTSXDSQMJPT-UHFFFAOYSA-N 2 1 317.458 2.562 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]CC(C)(C)C[NH+](C)C ZINC000439078230 297114056 /nfs/dbraw/zinc/11/40/56/297114056.db2.gz NHAUWCKPIZWEQW-CYBMUJFWSA-N 2 1 321.465 2.892 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439088204 297114448 /nfs/dbraw/zinc/11/44/48/297114448.db2.gz QGXJBTQGRDGGDN-ZFWWWQNUSA-N 2 1 319.449 2.646 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)C1 ZINC000439088204 297114449 /nfs/dbraw/zinc/11/44/49/297114449.db2.gz QGXJBTQGRDGGDN-ZFWWWQNUSA-N 2 1 319.449 2.646 20 0 DFADMP C[N@@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CCCCC1 ZINC000440116452 297144662 /nfs/dbraw/zinc/14/46/62/297144662.db2.gz FCNXOIDZVGIVCI-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC000440116452 297144664 /nfs/dbraw/zinc/14/46/64/297144664.db2.gz FCNXOIDZVGIVCI-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP CCC[NH+]1CCC(CNC(=O)[C@H]2CCC[N@H+]2C2CCCC2)CC1 ZINC000440130433 297145286 /nfs/dbraw/zinc/14/52/86/297145286.db2.gz ISJJAJXSMCPTJK-GOSISDBHSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000440255206 297148985 /nfs/dbraw/zinc/14/89/85/297148985.db2.gz MVLWNKCSHKPPLH-YVSFHVDLSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@@H](C(=O)N(C)CC[C@@H]1CCCC[NH+]1C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000440255206 297148983 /nfs/dbraw/zinc/14/89/83/297148983.db2.gz MVLWNKCSHKPPLH-YVSFHVDLSA-N 2 1 309.498 2.581 20 0 DFADMP COC(=O)CC1(C[NH2+][C@@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)CC1 ZINC000440498655 297154425 /nfs/dbraw/zinc/15/44/25/297154425.db2.gz ZHTJPVQDXSVZLW-LSDHHAIUSA-N 2 1 308.466 2.572 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150305 297173319 /nfs/dbraw/zinc/17/33/19/297173319.db2.gz CYANHOXCABDTSR-FUHWJXTLSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150305 297173320 /nfs/dbraw/zinc/17/33/20/297173320.db2.gz CYANHOXCABDTSR-FUHWJXTLSA-N 2 1 317.477 2.844 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)N(C)c2ccccc2)C[C@@H]1C ZINC000441150305 297173322 /nfs/dbraw/zinc/17/33/22/297173322.db2.gz CYANHOXCABDTSR-FUHWJXTLSA-N 2 1 317.477 2.844 20 0 DFADMP CCCOc1cccc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000441353632 297180718 /nfs/dbraw/zinc/18/07/18/297180718.db2.gz GWRYZCNSHJWEPG-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@H]3C)co2)cc1 ZINC000442758505 297204593 /nfs/dbraw/zinc/20/45/93/297204593.db2.gz IZIDWKCLWPCWFW-CHWSQXEVSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@H]3C)co2)cc1 ZINC000442758505 297204594 /nfs/dbraw/zinc/20/45/94/297204594.db2.gz IZIDWKCLWPCWFW-CHWSQXEVSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@@H+]3C[C@@H](C[NH3+])C[C@@H]3C)co2)cc1 ZINC000442758507 297204712 /nfs/dbraw/zinc/20/47/12/297204712.db2.gz IZIDWKCLWPCWFW-QWHCGFSZSA-N 2 1 301.390 2.519 20 0 DFADMP COc1ccc(-c2nc(C[N@H+]3C[C@@H](C[NH3+])C[C@@H]3C)co2)cc1 ZINC000442758507 297204713 /nfs/dbraw/zinc/20/47/13/297204713.db2.gz IZIDWKCLWPCWFW-QWHCGFSZSA-N 2 1 301.390 2.519 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+]C2CCC(C(F)F)CC2)CC1 ZINC000442764644 297205011 /nfs/dbraw/zinc/20/50/11/297205011.db2.gz CWKDSAXYGXNDQJ-UHFFFAOYSA-N 2 1 317.468 2.674 20 0 DFADMP CCc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)s1 ZINC000442878681 297209012 /nfs/dbraw/zinc/20/90/12/297209012.db2.gz UJXDKPSLBYLIHG-AWEZNQCLSA-N 2 1 309.523 2.987 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)C(C)(C)c1ccccc1 ZINC000442878473 297209312 /nfs/dbraw/zinc/20/93/12/297209312.db2.gz YZQBPUHZJQGMBF-KRWDZBQOSA-N 2 1 317.521 2.968 20 0 DFADMP CC[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1OC ZINC000442875241 297209316 /nfs/dbraw/zinc/20/93/16/297209316.db2.gz NOMASVLBNQXQDZ-QGZVFWFLSA-N 2 1 319.493 2.762 20 0 DFADMP Cn1c2cc(Cl)ccc2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000442922939 297211272 /nfs/dbraw/zinc/21/12/72/297211272.db2.gz LRARXDGYXHEALE-GFCCVEGCSA-N 2 1 306.841 2.788 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443057822 297213867 /nfs/dbraw/zinc/21/38/67/297213867.db2.gz IFHQLRFIZMSJPK-CYBMUJFWSA-N 2 1 304.413 2.756 20 0 DFADMP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443058440 297213941 /nfs/dbraw/zinc/21/39/41/297213941.db2.gz ADHLTNHNOOPUIS-VQIMIIECSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@H](CC[NH3+])C1 ZINC000443065972 297214851 /nfs/dbraw/zinc/21/48/51/297214851.db2.gz DCBSJTXFBOGJPP-CHWSQXEVSA-N 2 1 309.841 2.728 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000443075911 297215368 /nfs/dbraw/zinc/21/53/68/297215368.db2.gz RVESRVYHRKFHSP-GFCCVEGCSA-N 2 1 308.376 2.992 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2nc3ccccc3n2C(F)F)C1 ZINC000443075911 297215370 /nfs/dbraw/zinc/21/53/70/297215370.db2.gz RVESRVYHRKFHSP-GFCCVEGCSA-N 2 1 308.376 2.992 20 0 DFADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccsc1 ZINC000443101703 297215993 /nfs/dbraw/zinc/21/59/93/297215993.db2.gz MRIARSIMKVSSFR-GDBMZVCRSA-N 2 1 323.506 2.766 20 0 DFADMP CN(C)c1nc(N2CCC(CCC[NH+]3CCCC3)CC2)cc[nH+]1 ZINC000443891551 297227531 /nfs/dbraw/zinc/22/75/31/297227531.db2.gz IJSROGDCJVQTFF-UHFFFAOYSA-N 2 1 317.481 2.635 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)NCC[N@H+]2CCCC(C)(C)C2)c1 ZINC000444614969 297241604 /nfs/dbraw/zinc/24/16/04/297241604.db2.gz YPKQHGGJFWFEKX-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP C[NH+](C)CC1CC[NH+](Cc2ccn(-c3ccccc3F)n2)CC1 ZINC000445803565 297267071 /nfs/dbraw/zinc/26/70/71/297267071.db2.gz UBGWCVXOWYSGLU-UHFFFAOYSA-N 2 1 316.424 2.785 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007937 297292815 /nfs/dbraw/zinc/29/28/15/297292815.db2.gz RVKSQZZWDRUIGZ-CVEARBPZSA-N 2 1 318.465 2.523 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007937 297292816 /nfs/dbraw/zinc/29/28/16/297292816.db2.gz RVKSQZZWDRUIGZ-CVEARBPZSA-N 2 1 318.465 2.523 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccc(C)cn2)C[C@H]1C ZINC000447007937 297292818 /nfs/dbraw/zinc/29/28/18/297292818.db2.gz RVKSQZZWDRUIGZ-CVEARBPZSA-N 2 1 318.465 2.523 20 0 DFADMP C[C@H]1CN(CC[C@H]2CCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552018 297342390 /nfs/dbraw/zinc/34/23/90/297342390.db2.gz JCOKINCLDFJOIS-AZUAARDMSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552018 297342392 /nfs/dbraw/zinc/34/23/92/297342392.db2.gz JCOKINCLDFJOIS-AZUAARDMSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@H]1CN(CC[C@H]2CCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552018 297342394 /nfs/dbraw/zinc/34/23/94/297342394.db2.gz JCOKINCLDFJOIS-AZUAARDMSA-N 2 1 315.505 2.925 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cccc3ccoc32)CC1 ZINC000449030648 297393973 /nfs/dbraw/zinc/39/39/73/297393973.db2.gz UVUSXTTVZSDQTK-OAHLLOKOSA-N 2 1 316.445 2.957 20 0 DFADMP CCCNC(=O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449062611 297398809 /nfs/dbraw/zinc/39/88/09/297398809.db2.gz YVSZKPXWVAOJIK-UHFFFAOYSA-N 2 1 311.514 2.781 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CCCN(C)c3ccccc32)CC1 ZINC000449654559 297507982 /nfs/dbraw/zinc/50/79/82/297507982.db2.gz WFLJMILZHLIMGV-GOSISDBHSA-N 2 1 317.477 2.658 20 0 DFADMP C[C@H](C(=O)N1CCC([NH+]2CCC[C@H]2C)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000125248705 298008465 /nfs/dbraw/zinc/00/84/65/298008465.db2.gz VKOFDANSSPGWMW-WCXIOVBPSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@H](C(=O)N1CCC([N@@H+]2CCC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000125248705 298008468 /nfs/dbraw/zinc/00/84/68/298008468.db2.gz VKOFDANSSPGWMW-WCXIOVBPSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@H](C(=O)N1CCC([N@H+]2CCC[C@H]2C)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000125248705 298008471 /nfs/dbraw/zinc/00/84/71/298008471.db2.gz VKOFDANSSPGWMW-WCXIOVBPSA-N 2 1 321.509 2.723 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]CCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000453069890 298059105 /nfs/dbraw/zinc/05/91/05/298059105.db2.gz ZJFJZZHRZNWTIN-BBWFWOEESA-N 2 1 304.482 2.755 20 0 DFADMP C[C@H](CO)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453087902 298060710 /nfs/dbraw/zinc/06/07/10/298060710.db2.gz JRGDJVVIACUYCE-KANFNMMFSA-N 2 1 302.462 2.648 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000453107858 298062406 /nfs/dbraw/zinc/06/24/06/298062406.db2.gz MRIXJHIODGXGKB-INIZCTEOSA-N 2 1 320.477 2.812 20 0 DFADMP C[C@H](C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C)C[NH+](C)C ZINC000453243073 298074899 /nfs/dbraw/zinc/07/48/99/298074899.db2.gz RAZXCJNBFYQAOP-CABCVRRESA-N 2 1 300.450 2.935 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCc2ncccc2C)[C@@H](C)C1 ZINC000453306801 298081969 /nfs/dbraw/zinc/08/19/69/298081969.db2.gz JFTKTEZJBNBLOH-PKOBYXMFSA-N 2 1 319.493 2.659 20 0 DFADMP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)[C@H](C)O ZINC000453334794 298084353 /nfs/dbraw/zinc/08/43/53/298084353.db2.gz JVQXCXCFCAMZFR-HZZCBIDNSA-N 2 1 302.462 2.931 20 0 DFADMP CC(C)OCCOC1CC[NH+]([C@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000453354433 298086748 /nfs/dbraw/zinc/08/67/48/298086748.db2.gz JSCXVVDDUVRRLA-IRXDYDNUSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC1(CO)CC1 ZINC000453366990 298087227 /nfs/dbraw/zinc/08/72/27/298087227.db2.gz WOFRMKCVDUXFBF-AEFFLSMTSA-N 2 1 302.462 2.649 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccccn3)C2)[C@@H]2CCC[C@@H]21 ZINC000453378609 298088041 /nfs/dbraw/zinc/08/80/41/298088041.db2.gz KKXJWYUIRMOFJS-NLPXPOPTSA-N 2 1 315.461 2.764 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cn2cc(Cl)ccc2n1)C1CC1 ZINC000453599519 298103380 /nfs/dbraw/zinc/10/33/80/298103380.db2.gz RMWFUBSSLPJNTC-UHFFFAOYSA-N 2 1 306.841 2.952 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000453626416 298106669 /nfs/dbraw/zinc/10/66/69/298106669.db2.gz GHNNQRUDDRJQEW-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000453626416 298106670 /nfs/dbraw/zinc/10/66/70/298106670.db2.gz GHNNQRUDDRJQEW-OWYHZJEWSA-N 2 1 302.462 2.790 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C[C@@H](CC(C)C)NC(=O)OC(C)(C)C ZINC000495997100 300004195 /nfs/dbraw/zinc/00/41/95/300004195.db2.gz BMWFUSODBLMDMD-OAHLLOKOSA-N 2 1 324.469 2.721 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)[C@@H](C)C1 ZINC000496072624 300015440 /nfs/dbraw/zinc/01/54/40/300015440.db2.gz SBBGKGNCBXVACF-LSDHHAIUSA-N 2 1 313.486 2.563 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000496778170 300112720 /nfs/dbraw/zinc/11/27/20/300112720.db2.gz PHRMBNODEIXBHX-AWEZNQCLSA-N 2 1 313.486 2.706 20 0 DFADMP C[NH+](C)[C@H]1CCC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000496778170 300112722 /nfs/dbraw/zinc/11/27/22/300112722.db2.gz PHRMBNODEIXBHX-AWEZNQCLSA-N 2 1 313.486 2.706 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000497136237 300167240 /nfs/dbraw/zinc/16/72/40/300167240.db2.gz ZHPLWYVEOHIUHR-CQSZACIVSA-N 2 1 313.486 2.611 20 0 DFADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3nc(C4CC4)cs3)CC2)C1 ZINC000514851232 300275180 /nfs/dbraw/zinc/27/51/80/300275180.db2.gz XQTVTMVHGFRPHI-ZBFHGGJFSA-N 2 1 321.490 2.739 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000514863142 300275915 /nfs/dbraw/zinc/27/59/15/300275915.db2.gz OONXHGUGRBPOBM-VXGBXAGGSA-N 2 1 315.244 2.914 20 0 DFADMP Clc1cc(Cl)cc(OCC[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000514863142 300275917 /nfs/dbraw/zinc/27/59/17/300275917.db2.gz OONXHGUGRBPOBM-VXGBXAGGSA-N 2 1 315.244 2.914 20 0 DFADMP CCc1[nH+]c2ccccc2c(N2C[C@H]3OCC[N@@H+](C)[C@@H]3C2)c1C ZINC000515082143 300289547 /nfs/dbraw/zinc/28/95/47/300289547.db2.gz OUCHEIIRMFOUQT-QZTJIDSGSA-N 2 1 311.429 2.625 20 0 DFADMP C[C@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000515634252 300315845 /nfs/dbraw/zinc/31/58/45/300315845.db2.gz UFBXIRNAXHIFPW-WMZOPIPTSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000515634252 300315847 /nfs/dbraw/zinc/31/58/47/300315847.db2.gz UFBXIRNAXHIFPW-WMZOPIPTSA-N 2 1 315.505 2.801 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CCCC[NH2+]C2)c1C ZINC000516423627 300342487 /nfs/dbraw/zinc/34/24/87/300342487.db2.gz BBKUIQHZAWQKLN-GOEBONIOSA-N 2 1 303.450 2.752 20 0 DFADMP Cc1ccc(C(=O)Nc2c[nH+]ccc2N2CC[NH+](C)CC2)cc1C ZINC000516625015 300352359 /nfs/dbraw/zinc/35/23/59/300352359.db2.gz LWAGAHVYQKJFEJ-UHFFFAOYSA-N 2 1 324.428 2.703 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769167 300359420 /nfs/dbraw/zinc/35/94/20/300359420.db2.gz SPQSPVBMUOUCCZ-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769167 300359421 /nfs/dbraw/zinc/35/94/21/300359421.db2.gz SPQSPVBMUOUCCZ-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP CC[NH+]1CC[C@H](N[C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000516769167 300359422 /nfs/dbraw/zinc/35/94/22/300359422.db2.gz SPQSPVBMUOUCCZ-OALUTQOASA-N 2 1 313.489 2.867 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@H](C[NH3+])C2CCCC2)c1 ZINC000517230092 300388310 /nfs/dbraw/zinc/38/83/10/300388310.db2.gz XVCHVLIWLGCKNP-WMLDXEAASA-N 2 1 303.450 2.819 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+]Cc2ccsc2)c2cccs2)CC1 ZINC000520190164 300488105 /nfs/dbraw/zinc/48/81/05/300488105.db2.gz KRWAHTZDDSZRGF-OAHLLOKOSA-N 2 1 321.515 2.888 20 0 DFADMP COc1cc(C[NH2+]CCc2c[nH+]cn2C)cc(C(F)(F)F)c1 ZINC000527726538 300680397 /nfs/dbraw/zinc/68/03/97/300680397.db2.gz IXWOSLIUVRMFJC-UHFFFAOYSA-N 2 1 313.323 2.780 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)COc2ccccc2O1 ZINC000530207877 301028768 /nfs/dbraw/zinc/02/87/68/301028768.db2.gz DZHDSUQGLVEYIC-MDZRGWNJSA-N 2 1 310.397 2.951 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[NH2+]C23CCC3)c(C)c1OC ZINC000530216515 301029998 /nfs/dbraw/zinc/02/99/98/301029998.db2.gz QALGGDJLOSEMBM-SUMWQHHRSA-N 2 1 318.461 2.817 20 0 DFADMP CC[N@@H+](C[C@@H](Cc1ccc(F)cc1)OC)[C@@H]1CCC[NH2+]CC1 ZINC000530219446 301031201 /nfs/dbraw/zinc/03/12/01/301031201.db2.gz PPILBSZHYLSLSV-QZTJIDSGSA-N 2 1 308.441 2.847 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000530463633 301049940 /nfs/dbraw/zinc/04/99/40/301049940.db2.gz PFSYZKKSFSYGET-WMZOPIPTSA-N 2 1 324.509 2.503 20 0 DFADMP COc1cc2c(cc1C[NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)O[C@@H](C)C2 ZINC000530674273 301062941 /nfs/dbraw/zinc/06/29/41/301062941.db2.gz SCDNFKVNRMFFAC-XKQJLSEDSA-N 2 1 318.461 2.981 20 0 DFADMP C[C@@H]1C[N@H+](C)C[C@@H]1NCc1ccc(OC2CCCCC2)nc1 ZINC000531709506 301105010 /nfs/dbraw/zinc/10/50/10/301105010.db2.gz ZSOGHIQWPDFNMO-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1NCc1ccc(OC2CCCCC2)nc1 ZINC000531709506 301105012 /nfs/dbraw/zinc/10/50/12/301105012.db2.gz ZSOGHIQWPDFNMO-PBHICJAKSA-N 2 1 303.450 2.833 20 0 DFADMP C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1 ZINC000531785596 301110449 /nfs/dbraw/zinc/11/04/49/301110449.db2.gz VJLOFVYLALZMGH-OWCLPIDISA-N 2 1 307.507 2.815 20 0 DFADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000531970033 301122255 /nfs/dbraw/zinc/12/22/55/301122255.db2.gz BAVNPBLWZPZBAM-IAGOWNOFSA-N 2 1 320.477 2.891 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000531980500 301123523 /nfs/dbraw/zinc/12/35/23/301123523.db2.gz IWBRIHHGLAWECO-ZMSDIMECSA-N 2 1 303.450 2.784 20 0 DFADMP Cc1cccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000531980500 301123524 /nfs/dbraw/zinc/12/35/24/301123524.db2.gz IWBRIHHGLAWECO-ZMSDIMECSA-N 2 1 303.450 2.784 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](C[NH2+]C2CCC(O)(C(F)(F)F)CC2)C1 ZINC000532214722 301137210 /nfs/dbraw/zinc/13/72/10/301137210.db2.gz DHFXCCDUOAWVNI-WLYUNCDWSA-N 2 1 322.415 2.932 20 0 DFADMP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000533271281 301193812 /nfs/dbraw/zinc/19/38/12/301193812.db2.gz BVAZEEUIIUCZDH-SFHVURJKSA-N 2 1 318.461 2.953 20 0 DFADMP COC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000533271281 301193814 /nfs/dbraw/zinc/19/38/14/301193814.db2.gz BVAZEEUIIUCZDH-SFHVURJKSA-N 2 1 318.461 2.953 20 0 DFADMP CCC(CC)[C@H](C)C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000534136654 301220062 /nfs/dbraw/zinc/22/00/62/301220062.db2.gz AXTWVOJOYABIDE-AWEZNQCLSA-N 2 1 318.465 2.844 20 0 DFADMP C[C@@H]1C[NH+](CCOC2CC[NH+](C3CCCC3)CC2)C[C@@H](C)O1 ZINC000536934164 301293204 /nfs/dbraw/zinc/29/32/04/301293204.db2.gz BVHVNRQSACHDCS-HZPDHXFCSA-N 2 1 310.482 2.519 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]C[C@H]2CC=CCC2)c2cccs2)CC1 ZINC000537179838 301295783 /nfs/dbraw/zinc/29/57/83/301295783.db2.gz IIAJODOGZKDTHN-IRXDYDNUSA-N 2 1 319.518 2.983 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000537637269 301306940 /nfs/dbraw/zinc/30/69/40/301306940.db2.gz UYNMHYCFPVXRAY-MRXNPFEDSA-N 2 1 321.534 2.912 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)s1 ZINC000537637269 301306943 /nfs/dbraw/zinc/30/69/43/301306943.db2.gz UYNMHYCFPVXRAY-MRXNPFEDSA-N 2 1 321.534 2.912 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCCn2c3ccccc3[nH]c2=O)CC[N@@H+]1C ZINC000538619174 301324986 /nfs/dbraw/zinc/32/49/86/301324986.db2.gz KDTPTHRBKLTZBE-HUUCEWRRSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCCn2c3ccccc3[nH]c2=O)CC[N@H+]1C ZINC000538619174 301324988 /nfs/dbraw/zinc/32/49/88/301324988.db2.gz KDTPTHRBKLTZBE-HUUCEWRRSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCCn2c3ccccc3[nH]c2=O)CC[NH+]1C ZINC000538619174 301324989 /nfs/dbraw/zinc/32/49/89/301324989.db2.gz KDTPTHRBKLTZBE-HUUCEWRRSA-N 2 1 316.449 2.547 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCCn2c3ccccc3[nH]c2=O)CC[NH+]1C ZINC000538619174 301324991 /nfs/dbraw/zinc/32/49/91/301324991.db2.gz KDTPTHRBKLTZBE-HUUCEWRRSA-N 2 1 316.449 2.547 20 0 DFADMP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)C1CC1 ZINC000540988415 301380075 /nfs/dbraw/zinc/38/00/75/301380075.db2.gz LFIBUVNANQZTAP-RBUKOAKNSA-N 2 1 302.462 2.777 20 0 DFADMP Cc1ncc(C[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)c(=O)[nH]1 ZINC000544370733 301448351 /nfs/dbraw/zinc/44/83/51/301448351.db2.gz IZNYNFIYJNYJFW-DYVFJYSZSA-N 2 1 318.465 2.623 20 0 DFADMP C[C@@H](C[NH2+]C1CC[NH+](Cc2ccccc2)CC1)Cn1cccn1 ZINC000558715924 301857832 /nfs/dbraw/zinc/85/78/32/301857832.db2.gz XMVQYTOVVDKRNF-KRWDZBQOSA-N 2 1 312.461 2.773 20 0 DFADMP [NH3+][C@@H]1C[C@@H]([NH2+]CCOc2ncccc2Cl)c2ccccc21 ZINC000562960005 302018051 /nfs/dbraw/zinc/01/80/51/302018051.db2.gz GCLGKUNJDPONIC-HUUCEWRRSA-N 2 1 303.793 2.848 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@@H]3CN(Cc4cnccn4)CC[C@@H]32)cc1 ZINC000563090965 302036470 /nfs/dbraw/zinc/03/64/70/302036470.db2.gz IIICJVUYZSVDDE-QUCCMNQESA-N 2 1 322.456 2.963 20 0 DFADMP CCC[N@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)C1CC[NH2+]CC1 ZINC000563129540 302039762 /nfs/dbraw/zinc/03/97/62/302039762.db2.gz GVSMMYHSSPRBBB-CQSZACIVSA-N 2 1 318.461 2.983 20 0 DFADMP CCC[N@@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)C1CC[NH2+]CC1 ZINC000563129540 302039763 /nfs/dbraw/zinc/03/97/63/302039763.db2.gz GVSMMYHSSPRBBB-CQSZACIVSA-N 2 1 318.461 2.983 20 0 DFADMP CC(C)[C@@](C)(C[NH3+])[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000563155231 302042078 /nfs/dbraw/zinc/04/20/78/302042078.db2.gz OQFFKNZDKXWRHY-MRXNPFEDSA-N 2 1 312.841 2.964 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000563353235 302065542 /nfs/dbraw/zinc/06/55/42/302065542.db2.gz BTLAJAFAPTYSTA-KRWDZBQOSA-N 2 1 303.406 2.627 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+](Cc1ccco1)C[C@@H]1CCCO1 ZINC000563353235 302065543 /nfs/dbraw/zinc/06/55/43/302065543.db2.gz BTLAJAFAPTYSTA-KRWDZBQOSA-N 2 1 303.406 2.627 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000563805762 302099231 /nfs/dbraw/zinc/09/92/31/302099231.db2.gz KKDDCQQKFQBKAJ-HXUWFJFHSA-N 2 1 324.468 2.863 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]CC(c1ccccc1)c1ccccc1)C1CC1 ZINC000563805762 302099232 /nfs/dbraw/zinc/09/92/32/302099232.db2.gz KKDDCQQKFQBKAJ-HXUWFJFHSA-N 2 1 324.468 2.863 20 0 DFADMP CC[N@H+](C)C[C@@H](O)C[NH+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563821312 302101087 /nfs/dbraw/zinc/10/10/87/302101087.db2.gz QPUWOJTYKCWZDY-MRXNPFEDSA-N 2 1 308.466 2.608 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563821312 302101090 /nfs/dbraw/zinc/10/10/90/302101090.db2.gz QPUWOJTYKCWZDY-MRXNPFEDSA-N 2 1 308.466 2.608 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563821312 302101093 /nfs/dbraw/zinc/10/10/93/302101093.db2.gz QPUWOJTYKCWZDY-MRXNPFEDSA-N 2 1 308.466 2.608 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+](Cc1ccc(OC)cc1)C(C)(C)C ZINC000563821312 302101097 /nfs/dbraw/zinc/10/10/97/302101097.db2.gz QPUWOJTYKCWZDY-MRXNPFEDSA-N 2 1 308.466 2.608 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000564782389 302158438 /nfs/dbraw/zinc/15/84/38/302158438.db2.gz PKWSOIKIHGCXKS-NWDGAFQWSA-N 2 1 312.255 2.837 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(Br)cn2)C1 ZINC000564782389 302158441 /nfs/dbraw/zinc/15/84/41/302158441.db2.gz PKWSOIKIHGCXKS-NWDGAFQWSA-N 2 1 312.255 2.837 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564973028 302178425 /nfs/dbraw/zinc/17/84/25/302178425.db2.gz PKFGVEAFTIVBDZ-QYZOEREBSA-N 2 1 314.473 2.934 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000564973028 302178428 /nfs/dbraw/zinc/17/84/28/302178428.db2.gz PKFGVEAFTIVBDZ-QYZOEREBSA-N 2 1 314.473 2.934 20 0 DFADMP CC(C)n1ncc2cc(C[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cnc21 ZINC000564973676 302178582 /nfs/dbraw/zinc/17/85/82/302178582.db2.gz VIMDKPODOYHAAR-SFHVURJKSA-N 2 1 313.449 2.588 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3CC[C@@]4(C3)CCC[NH2+]C4)cnc21 ZINC000564973676 302178585 /nfs/dbraw/zinc/17/85/85/302178585.db2.gz VIMDKPODOYHAAR-SFHVURJKSA-N 2 1 313.449 2.588 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H](C)C1=CC[N@@H+](C)CC1 ZINC000565299147 302216243 /nfs/dbraw/zinc/21/62/43/302216243.db2.gz HATMCVSZFMXENL-CQSZACIVSA-N 2 1 319.424 2.703 20 0 DFADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@](C)(O)C[NH2+]C ZINC000565310596 302217100 /nfs/dbraw/zinc/21/71/00/302217100.db2.gz ZXQSBCRTBWYULD-AWEZNQCLSA-N 2 1 305.249 2.786 20 0 DFADMP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@](C)(O)C[NH2+]C ZINC000565310596 302217103 /nfs/dbraw/zinc/21/71/03/302217103.db2.gz ZXQSBCRTBWYULD-AWEZNQCLSA-N 2 1 305.249 2.786 20 0 DFADMP [NH3+]CCC1CC[NH+]([C@H]2CCN(c3ccccc3Cl)C2=O)CC1 ZINC000565426984 302224775 /nfs/dbraw/zinc/22/47/75/302224775.db2.gz NIGTXAMORMIEND-INIZCTEOSA-N 2 1 321.852 2.506 20 0 DFADMP CC(C)(C)c1cccc(OCC[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000565540391 302229215 /nfs/dbraw/zinc/22/92/15/302229215.db2.gz TVWADZVJOAWDBT-HOTGVXAUSA-N 2 1 302.462 2.904 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CCCc1c[nH+]cn1C ZINC000566017423 302253977 /nfs/dbraw/zinc/25/39/77/302253977.db2.gz VVJDSJHGYQDOBJ-SJLPKXTDSA-N 3 1 306.498 2.843 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCC[NH2+]C[C@@H](O)Cc2ccc(F)cc2)C1 ZINC000566106170 302260211 /nfs/dbraw/zinc/26/02/11/302260211.db2.gz IXDNPPJPEIFRFB-LPHOPBHVSA-N 2 1 322.468 2.831 20 0 DFADMP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000566216853 302267777 /nfs/dbraw/zinc/26/77/77/302267777.db2.gz HDRKMSMRTFDKQP-SFHVURJKSA-N 2 1 324.472 2.749 20 0 DFADMP Cn1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000566216853 302267779 /nfs/dbraw/zinc/26/77/79/302267779.db2.gz HDRKMSMRTFDKQP-SFHVURJKSA-N 2 1 324.472 2.749 20 0 DFADMP Cc1ncccc1OC[C@H]1CCC[N@H+]1CCCc1c[nH+]cn1C ZINC000566429369 302286025 /nfs/dbraw/zinc/28/60/25/302286025.db2.gz UACHPPVZOIIMBQ-QGZVFWFLSA-N 2 1 314.433 2.600 20 0 DFADMP Cc1ncccc1OC[C@H]1CCC[N@@H+]1CCCc1c[nH+]cn1C ZINC000566429369 302286026 /nfs/dbraw/zinc/28/60/26/302286026.db2.gz UACHPPVZOIIMBQ-QGZVFWFLSA-N 2 1 314.433 2.600 20 0 DFADMP Oc1cccnc1C[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000566535143 302293238 /nfs/dbraw/zinc/29/32/38/302293238.db2.gz VICQCUXWUWFCDX-ROUUACIJSA-N 2 1 323.440 2.741 20 0 DFADMP Oc1cccnc1C[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000566535143 302293239 /nfs/dbraw/zinc/29/32/39/302293239.db2.gz VICQCUXWUWFCDX-ROUUACIJSA-N 2 1 323.440 2.741 20 0 DFADMP Oc1cccnc1C[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000566535143 302293241 /nfs/dbraw/zinc/29/32/41/302293241.db2.gz VICQCUXWUWFCDX-ROUUACIJSA-N 2 1 323.440 2.741 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2nccn2CCCc2ccccc2)C1 ZINC000566571394 302296496 /nfs/dbraw/zinc/29/64/96/302296496.db2.gz ACWZFAUDQCVJDZ-ZWKOTPCHSA-N 2 1 312.461 2.875 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@@H+]2CCCC[C@H]12)Nc1cc(F)cc(F)c1 ZINC000566615342 302299280 /nfs/dbraw/zinc/29/92/80/302299280.db2.gz JTCDAUCWJAHGQO-HZPDHXFCSA-N 2 1 323.387 2.510 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)Nc1cc(F)cc(F)c1 ZINC000566615342 302299284 /nfs/dbraw/zinc/29/92/84/302299284.db2.gz JTCDAUCWJAHGQO-HZPDHXFCSA-N 2 1 323.387 2.510 20 0 DFADMP C[NH+](C)[C@H](C[NH2+]CCC(=O)Nc1cccnc1)C1CCCCC1 ZINC000567160363 302340659 /nfs/dbraw/zinc/34/06/59/302340659.db2.gz DFIWLWMTRPRAGP-QGZVFWFLSA-N 2 1 318.465 2.510 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@]2(C1)CCC[NH+](C)C2)C1CCCCC1 ZINC000567263539 302345885 /nfs/dbraw/zinc/34/58/85/302345885.db2.gz DZXDFMOJIRUQQG-LJQANCHMSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2)C1CCCCC1 ZINC000567263539 302345887 /nfs/dbraw/zinc/34/58/87/302345887.db2.gz DZXDFMOJIRUQQG-LJQANCHMSA-N 2 1 321.509 2.585 20 0 DFADMP C[NH+](CCC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2)C1CCCCC1 ZINC000567263539 302345889 /nfs/dbraw/zinc/34/58/89/302345889.db2.gz DZXDFMOJIRUQQG-LJQANCHMSA-N 2 1 321.509 2.585 20 0 DFADMP COc1cc(F)c(CN(C)C[C@@H]2CCC[N@@H+](C)C2)cc1OC ZINC000567358395 302353667 /nfs/dbraw/zinc/35/36/67/302353667.db2.gz OKIQFPJTNZVGCU-CYBMUJFWSA-N 2 1 310.413 2.617 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@H](C)C2CC[NH2+]CC2)CC1 ZINC000567497173 302364232 /nfs/dbraw/zinc/36/42/32/302364232.db2.gz JEZSVMCYLARHDQ-INIZCTEOSA-N 2 1 323.525 2.591 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567871514 302395122 /nfs/dbraw/zinc/39/51/22/302395122.db2.gz MBCUHZNGTUOANY-GOSISDBHSA-N 2 1 314.408 2.791 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567871514 302395124 /nfs/dbraw/zinc/39/51/24/302395124.db2.gz MBCUHZNGTUOANY-GOSISDBHSA-N 2 1 314.408 2.791 20 0 DFADMP CC[C@@H]([NH2+]Cc1nnc(C2CC[NH2+]CC2)[nH]1)c1cccc(F)c1 ZINC000567891042 302396751 /nfs/dbraw/zinc/39/67/51/302396751.db2.gz WZFBEOSUXMXCPD-OAHLLOKOSA-N 2 1 317.412 2.652 20 0 DFADMP C[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc1ccccc1)[C@H]1CCCc2ccccc21 ZINC000567897022 302397414 /nfs/dbraw/zinc/39/74/14/302397414.db2.gz UJJOYERGEYBLAC-ACRUOGEOSA-N 2 1 324.468 2.927 20 0 DFADMP C[C@@H]1CC[N@@H+](C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)[C@@H]2CCCC[C@H]12 ZINC000567897400 302397639 /nfs/dbraw/zinc/39/76/39/302397639.db2.gz FDFDEMDZKXVULK-PKOFMYQESA-N 2 1 316.489 2.818 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)NC(=O)CC[NH2+]C2CC2)cc1 ZINC000568231243 302432680 /nfs/dbraw/zinc/43/26/80/302432680.db2.gz OXKRBNQUVXGKGY-ZDUSSCGKSA-N 2 1 312.417 2.500 20 0 DFADMP C[C@H]([NH2+]CCC[NH+]1CCCC1)c1cncc(Br)c1 ZINC000568533883 302458464 /nfs/dbraw/zinc/45/84/64/302458464.db2.gz YWVDTGQMHAFMPJ-LBPRGKRZSA-N 2 1 312.255 2.981 20 0 DFADMP CC(C)(C)c1ccccc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000569347511 302513457 /nfs/dbraw/zinc/51/34/57/302513457.db2.gz FUYWIQZBLYNMGI-UHFFFAOYSA-N 2 1 317.477 2.983 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]CC2Cc3ccccc3C2)CC1 ZINC000573172840 302694133 /nfs/dbraw/zinc/69/41/33/302694133.db2.gz IQKLDMDHTTUBPA-UHFFFAOYSA-N 2 1 316.489 2.880 20 0 DFADMP CCn1c2ccc(F)cc2nc1C[NH+]1CCC(CC[NH3+])CC1 ZINC000573379339 302703287 /nfs/dbraw/zinc/70/32/87/302703287.db2.gz CUSIZGDWBHOSCE-UHFFFAOYSA-N 2 1 304.413 2.756 20 0 DFADMP CN(c1cc[nH+]c2ccc(Br)cc21)[C@H]1CC[NH2+]C1 ZINC000574061905 302738591 /nfs/dbraw/zinc/73/85/91/302738591.db2.gz SNNZWHHKOCBKMD-NSHDSACASA-N 2 1 306.207 2.795 20 0 DFADMP COCC[C@H](c1ccccc1)[NH+]1CCC(CO)([NH2+]C(C)C)CC1 ZINC000574336832 302753500 /nfs/dbraw/zinc/75/35/00/302753500.db2.gz JNOKGDJZYLDBKR-GOSISDBHSA-N 2 1 320.477 2.589 20 0 DFADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000181751450 316070954 /nfs/dbraw/zinc/07/09/54/316070954.db2.gz UXLJOFIIYMBWMM-HZPDHXFCSA-N 2 1 312.498 2.527 20 0 DFADMP C[C@H](CCNC(=O)[C@@H](c1ccccc1)[NH+](C)C)[NH+]1CCCCC1 ZINC000182245337 316092028 /nfs/dbraw/zinc/09/20/28/316092028.db2.gz IHLMEHLPINYEDN-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](C[S@@](C)=O)c1ccccc1 ZINC000183186005 316133239 /nfs/dbraw/zinc/13/32/39/316133239.db2.gz BRXKOQDYBHJPRS-VGOFRKELSA-N 2 1 319.474 2.681 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@H](C[NH+](C)C)C2)cc1F ZINC000185321964 316185854 /nfs/dbraw/zinc/18/58/54/316185854.db2.gz XAMPAJWHTRDVGC-GOEBONIOSA-N 2 1 308.441 2.896 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659868 316189860 /nfs/dbraw/zinc/18/98/60/316189860.db2.gz KNVDPOJZSTYWQZ-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+]CC(=O)N1CCCCCC1)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659868 316189863 /nfs/dbraw/zinc/18/98/63/316189863.db2.gz KNVDPOJZSTYWQZ-IRXDYDNUSA-N 2 1 321.509 2.632 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185691607 316190350 /nfs/dbraw/zinc/19/03/50/316190350.db2.gz PGWKFHQPOQYTAF-YESZJQIVSA-N 2 1 323.525 2.924 20 0 DFADMP CCCCCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185691607 316190354 /nfs/dbraw/zinc/19/03/54/316190354.db2.gz PGWKFHQPOQYTAF-YESZJQIVSA-N 2 1 323.525 2.924 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000314581867 316240783 /nfs/dbraw/zinc/24/07/83/316240783.db2.gz NZBWVMGGABXNAN-KZNAEPCWSA-N 2 1 305.466 2.758 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCCC[C@@H]1[C@H]1CCCC[C@H]1O ZINC000314581867 316240785 /nfs/dbraw/zinc/24/07/85/316240785.db2.gz NZBWVMGGABXNAN-KZNAEPCWSA-N 2 1 305.466 2.758 20 0 DFADMP COc1cc2c(cc1C[N@@H+]1CCCC[C@@H]1CC[NH3+])O[C@@H](C)C2 ZINC000316972041 316247362 /nfs/dbraw/zinc/24/73/62/316247362.db2.gz IGIYWLJCLKVGGL-XJKSGUPXSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCCC[C@@H]1CC[NH3+])O[C@@H](C)C2 ZINC000316972041 316247368 /nfs/dbraw/zinc/24/73/68/316247368.db2.gz IGIYWLJCLKVGGL-XJKSGUPXSA-N 2 1 304.434 2.722 20 0 DFADMP CCOc1cc(C[N@@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000317289638 316248031 /nfs/dbraw/zinc/24/80/31/316248031.db2.gz SAQRRQZEKCTACD-AAEUAGOBSA-N 2 1 314.376 2.998 20 0 DFADMP CCOc1cc(C[N@H+]2CC[C@H]([NH3+])C[C@@H]2C)ccc1OC(F)F ZINC000317289638 316248035 /nfs/dbraw/zinc/24/80/35/316248035.db2.gz SAQRRQZEKCTACD-AAEUAGOBSA-N 2 1 314.376 2.998 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[NH+](C)C[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000336716894 316299657 /nfs/dbraw/zinc/29/96/57/316299657.db2.gz QATZONVTLWUPIX-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[N@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000336716894 316299659 /nfs/dbraw/zinc/29/96/59/316299659.db2.gz QATZONVTLWUPIX-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@H]1C[C@@H](N[C@H]2CC[N@@H+](C)C[C@H]2C)C[NH+]1Cc1ccccc1 ZINC000336716894 316299664 /nfs/dbraw/zinc/29/96/64/316299664.db2.gz QATZONVTLWUPIX-JFRXWTBNSA-N 2 1 301.478 2.579 20 0 DFADMP CC[C@@H]([NH2+]CCC[N@H+]1CCC[C@@H](C(N)=O)C1)c1ccc(C)cc1 ZINC000346111991 316318160 /nfs/dbraw/zinc/31/81/60/316318160.db2.gz VIYSMWFFIOBIBP-QZTJIDSGSA-N 2 1 317.477 2.623 20 0 DFADMP Cc1ccc([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)c(C)c1 ZINC000346104209 316318222 /nfs/dbraw/zinc/31/82/22/316318222.db2.gz QJBZLNYGZYMPEQ-IAGOWNOFSA-N 2 1 317.477 2.541 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)s1 ZINC000360022206 316573536 /nfs/dbraw/zinc/57/35/36/316573536.db2.gz XKRAJNIFKPINJU-DGCLKSJQSA-N 2 1 320.462 2.503 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000360018405 316573678 /nfs/dbraw/zinc/57/36/78/316573678.db2.gz QHRYTIDYJDMHAA-BBRMVZONSA-N 2 1 313.401 2.710 20 0 DFADMP CCOc1c(OC)cc(C[NH2+]CC([NH3+])(CC)CC)cc1OC ZINC000414795444 316661059 /nfs/dbraw/zinc/66/10/59/316661059.db2.gz ACFAXUFBFXNVDP-UHFFFAOYSA-N 2 1 310.438 2.710 20 0 DFADMP COC1([C@H](C)[NH2+]CC2([NH+]3CCCC3)CCOCC2)CCCCC1 ZINC000421829027 316770910 /nfs/dbraw/zinc/77/09/10/316770910.db2.gz GMNKRMMHSXONID-KRWDZBQOSA-N 2 1 324.509 2.959 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H](C)O ZINC000449547923 317040265 /nfs/dbraw/zinc/04/02/65/317040265.db2.gz ZAVGOLZLXXAXAD-RDTXWAMCSA-N 2 1 308.441 2.582 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000449672533 317051910 /nfs/dbraw/zinc/05/19/10/317051910.db2.gz MVZWXMCIBFZYRS-SFHVURJKSA-N 2 1 309.413 2.921 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccccc1 ZINC000449672533 317051911 /nfs/dbraw/zinc/05/19/11/317051911.db2.gz MVZWXMCIBFZYRS-SFHVURJKSA-N 2 1 309.413 2.921 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000450097937 317059216 /nfs/dbraw/zinc/05/92/16/317059216.db2.gz RQZDFGOLPGDWOI-KBAYOESNSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000450097937 317059220 /nfs/dbraw/zinc/05/92/20/317059220.db2.gz RQZDFGOLPGDWOI-KBAYOESNSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[NH+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000450097937 317059224 /nfs/dbraw/zinc/05/92/24/317059224.db2.gz RQZDFGOLPGDWOI-KBAYOESNSA-N 2 1 321.509 2.628 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000450432377 317092274 /nfs/dbraw/zinc/09/22/74/317092274.db2.gz ABXLSCUWAZCRCW-HBFSDRIKSA-N 2 1 316.489 2.959 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000452027685 317118043 /nfs/dbraw/zinc/11/80/43/317118043.db2.gz ASWIMDMAYHTMKI-UHFFFAOYSA-N 2 1 321.431 2.821 20 0 DFADMP c1cnn(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000453140545 317164994 /nfs/dbraw/zinc/16/49/94/317164994.db2.gz QJFRVCIJTWABMX-UFYCRDLUSA-N 2 1 324.472 2.916 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000453276949 317174865 /nfs/dbraw/zinc/17/48/65/317174865.db2.gz BGQSSUQRNJRHFZ-CRAIPNDOSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C)c2)[C@H](C)C1 ZINC000453276949 317174866 /nfs/dbraw/zinc/17/48/66/317174866.db2.gz BGQSSUQRNJRHFZ-CRAIPNDOSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CC)OC)[C@@H](C)C1 ZINC000453290004 317176845 /nfs/dbraw/zinc/17/68/45/317176845.db2.gz ABUCZYRDZOCVHL-ULQDDVLXSA-N 2 1 300.487 2.528 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000453383526 317181287 /nfs/dbraw/zinc/18/12/87/317181287.db2.gz SUPFKGCWWQBUQK-FAEJEUNOSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C1CCC1 ZINC000453370077 317181637 /nfs/dbraw/zinc/18/16/37/317181637.db2.gz FKMVMLULXCJOBF-ATZDWAIDSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[N@@H+](C)C[C@@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000456705638 317244837 /nfs/dbraw/zinc/24/48/37/317244837.db2.gz IHAZKHGFVBRMFM-CVEARBPZSA-N 2 1 323.525 2.543 20 0 DFADMP CCCCOCC[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000471025595 317333079 /nfs/dbraw/zinc/33/30/79/317333079.db2.gz NMJYCVIQIYZSLB-KDURUIRLSA-N 2 1 302.462 2.867 20 0 DFADMP CCCCOCC[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471025595 317333081 /nfs/dbraw/zinc/33/30/81/317333081.db2.gz NMJYCVIQIYZSLB-KDURUIRLSA-N 2 1 302.462 2.867 20 0 DFADMP CCCCOCC[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000471025595 317333082 /nfs/dbraw/zinc/33/30/82/317333082.db2.gz NMJYCVIQIYZSLB-KDURUIRLSA-N 2 1 302.462 2.867 20 0 DFADMP CC(C)C1CC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000488406492 317389861 /nfs/dbraw/zinc/38/98/61/317389861.db2.gz CNYFPNRKYPJRAZ-CQJJOKNBSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)C1CC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)C1 ZINC000488406492 317389864 /nfs/dbraw/zinc/38/98/64/317389864.db2.gz CNYFPNRKYPJRAZ-CQJJOKNBSA-N 2 1 316.489 2.894 20 0 DFADMP CC(C)C1CC([NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)C1 ZINC000488503191 317398276 /nfs/dbraw/zinc/39/82/76/317398276.db2.gz JKXUEIZTDOKRQF-ACBHZAAOSA-N 2 1 302.462 2.777 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCC[C@@H]([NH3+])C1 ZINC000514738827 317708965 /nfs/dbraw/zinc/70/89/65/317708965.db2.gz LAQVJVLLTARRMD-MSOLQXFVSA-N 2 1 319.493 2.767 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(Br)c(F)c1F ZINC000530225399 317777187 /nfs/dbraw/zinc/77/71/87/317777187.db2.gz ZGGXCYUGHSOEDQ-KWQFWETISA-N 2 1 319.193 2.944 20 0 DFADMP C[C@H](C[C@@H]1CCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000574619748 318028403 /nfs/dbraw/zinc/02/84/03/318028403.db2.gz CKIXQSNSYUKGID-YPMHNXCESA-N 2 1 317.355 2.643 20 0 DFADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000574631327 318029299 /nfs/dbraw/zinc/02/92/99/318029299.db2.gz FKMVZFSPFYRPEJ-DOTOQJQBSA-N 2 1 310.869 2.706 20 0 DFADMP CC[C@@H](Cc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000574631327 318029302 /nfs/dbraw/zinc/02/93/02/318029302.db2.gz FKMVZFSPFYRPEJ-DOTOQJQBSA-N 2 1 310.869 2.706 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000575744556 318080438 /nfs/dbraw/zinc/08/04/38/318080438.db2.gz CPEFKQWFXREJOG-AJNOYIKESA-N 2 1 301.434 2.521 20 0 DFADMP C[NH2+][C@@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000576052880 318100623 /nfs/dbraw/zinc/10/06/23/318100623.db2.gz XYUUODKTZHBATK-ZDUSSCGKSA-N 2 1 300.406 2.601 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000576377001 318122559 /nfs/dbraw/zinc/12/25/59/318122559.db2.gz NPGMQEMAIIMHRX-SFHVURJKSA-N 2 1 317.477 2.528 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000576457987 318127405 /nfs/dbraw/zinc/12/74/05/318127405.db2.gz AOTBRXWZSSCQPR-ZIAGYGMSSA-N 2 1 310.825 2.861 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]C3)c2C1 ZINC000576838184 318154376 /nfs/dbraw/zinc/15/43/76/318154376.db2.gz PGOPJTMPCRMDKX-AWEZNQCLSA-N 2 1 301.434 2.740 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)C[C@@H]3CCC[NH2+]C3)c2C1 ZINC000576838184 318154377 /nfs/dbraw/zinc/15/43/77/318154377.db2.gz PGOPJTMPCRMDKX-AWEZNQCLSA-N 2 1 301.434 2.740 20 0 DFADMP O=C([C@H]1CCCCC[NH2+]1)N1CCC[N@@H+](CC2CCCCC2)CC1 ZINC000576877737 318156273 /nfs/dbraw/zinc/15/62/73/318156273.db2.gz IJJNWOMCZPZAJL-GOSISDBHSA-N 2 1 321.509 2.633 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000577109593 318171874 /nfs/dbraw/zinc/17/18/74/318171874.db2.gz JPDMCNUDJBOGBT-KRWDZBQOSA-N 2 1 300.406 2.554 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)o1 ZINC000577109593 318171875 /nfs/dbraw/zinc/17/18/75/318171875.db2.gz JPDMCNUDJBOGBT-KRWDZBQOSA-N 2 1 300.406 2.554 20 0 DFADMP c1cc2c(cc1CN1CCC[N@H+](C3CCCC3)CC1)C[NH2+]CC2 ZINC000577499164 318197546 /nfs/dbraw/zinc/19/75/46/318197546.db2.gz MYDQOWWNRCVDKF-UHFFFAOYSA-N 2 1 313.489 2.783 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000577951723 318228207 /nfs/dbraw/zinc/22/82/07/318228207.db2.gz MUGCWWJTJXIIMB-QGZVFWFLSA-N 2 1 301.434 2.535 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000578127548 318239538 /nfs/dbraw/zinc/23/95/38/318239538.db2.gz CVJYNZLMWIKZCM-OCCSQVGLSA-N 2 1 307.413 2.535 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)Cc2ccc(F)cc2)C1 ZINC000578232249 318246796 /nfs/dbraw/zinc/24/67/96/318246796.db2.gz MVSHZASUQCKIRB-IEBWSBKVSA-N 2 1 322.468 2.687 20 0 DFADMP CC(C)[C@@H]([NH2+]CCCc1c[nH+]cn1C)c1nc(C2CC2)no1 ZINC000578545374 318268886 /nfs/dbraw/zinc/26/88/86/318268886.db2.gz PCOFNOGKERNOQY-CQSZACIVSA-N 2 1 303.410 2.600 20 0 DFADMP C[C@@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000578663682 318276972 /nfs/dbraw/zinc/27/69/72/318276972.db2.gz JHRHFVJVGHDDMN-RISCZKNCSA-N 2 1 320.824 2.744 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCc1nc(-c2cccc(Cl)c2)no1 ZINC000578663681 318277007 /nfs/dbraw/zinc/27/70/07/318277007.db2.gz JHRHFVJVGHDDMN-FZMZJTMJSA-N 2 1 320.824 2.744 20 0 DFADMP CC(C)C[N@H+]1Cc2cccc(NC(=O)C[NH+]3CC[C@@H](C)C3)c2C1 ZINC000579128043 318309555 /nfs/dbraw/zinc/30/95/55/318309555.db2.gz ICZIUYFXMPMTTM-OAHLLOKOSA-N 2 1 315.461 2.939 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+][C@@H]2CCCC23CC3)C1 ZINC000579733023 318351547 /nfs/dbraw/zinc/35/15/47/318351547.db2.gz HELZCHWWDZAYBD-ZWKOTPCHSA-N 2 1 300.446 2.676 20 0 DFADMP C[C@]1(CNc2cc[nH+]cc2C(N)=O)CCC[N@@H+]1Cc1ccccc1 ZINC000189223111 323222271 /nfs/dbraw/zinc/22/22/71/323222271.db2.gz YAUGBQZVJQQJDG-LJQANCHMSA-N 2 1 324.428 2.647 20 0 DFADMP C[C@]1(CNc2cc[nH+]cc2C(N)=O)CCC[N@H+]1Cc1ccccc1 ZINC000189223111 323222273 /nfs/dbraw/zinc/22/22/73/323222273.db2.gz YAUGBQZVJQQJDG-LJQANCHMSA-N 2 1 324.428 2.647 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000191790381 323239062 /nfs/dbraw/zinc/23/90/62/323239062.db2.gz HJGWCYIJOLUBPL-INIZCTEOSA-N 2 1 311.514 2.593 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CCC[C@@H](CNC(=O)C(C)(C)C)C1 ZINC000191790381 323239064 /nfs/dbraw/zinc/23/90/64/323239064.db2.gz HJGWCYIJOLUBPL-INIZCTEOSA-N 2 1 311.514 2.593 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C)[C@H](C)c1ccc(-n2cncn2)cc1 ZINC000193459873 323254451 /nfs/dbraw/zinc/25/44/51/323254451.db2.gz WTVMXITVEIFZFA-MRXNPFEDSA-N 2 1 315.465 2.992 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379634086 323290472 /nfs/dbraw/zinc/29/04/72/323290472.db2.gz PILJVLLAVHGBLR-JYPHPWERSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2CCC([NH3+])CC2)CC[N@H+]1Cc1ccccc1 ZINC000379634086 323290479 /nfs/dbraw/zinc/29/04/79/323290479.db2.gz PILJVLLAVHGBLR-JYPHPWERSA-N 3 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379637920 323290981 /nfs/dbraw/zinc/29/09/81/323290981.db2.gz TUDAUJFPICWEHO-APWZRJJASA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379637920 323290983 /nfs/dbraw/zinc/29/09/83/323290983.db2.gz TUDAUJFPICWEHO-APWZRJJASA-N 3 1 301.478 2.629 20 0 DFADMP CCOC[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000381784852 323295971 /nfs/dbraw/zinc/29/59/71/323295971.db2.gz HDJWJYCCVOSJKY-WZGPROSRSA-N 2 1 302.462 2.912 20 0 DFADMP CC1(C)C[N@@H+](CC[C@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382728636 323301073 /nfs/dbraw/zinc/30/10/73/323301073.db2.gz XSTSPTATTCHXOX-QGZVFWFLSA-N 2 1 301.478 2.582 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000382579257 323301168 /nfs/dbraw/zinc/30/11/68/323301168.db2.gz DVJJLQKJZVIVCP-IHPCNDPISA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000382579257 323301172 /nfs/dbraw/zinc/30/11/72/323301172.db2.gz DVJJLQKJZVIVCP-IHPCNDPISA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[NH2+]C4CC4)[C@H]3C2)cc1 ZINC000382579257 323301176 /nfs/dbraw/zinc/30/11/76/323301176.db2.gz DVJJLQKJZVIVCP-IHPCNDPISA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H](NCCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000382579256 323301312 /nfs/dbraw/zinc/30/13/12/323301312.db2.gz DVJJLQKJZVIVCP-DFQSSKMNSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000382579256 323301315 /nfs/dbraw/zinc/30/13/15/323301315.db2.gz DVJJLQKJZVIVCP-DFQSSKMNSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000382579256 323301316 /nfs/dbraw/zinc/30/13/16/323301316.db2.gz DVJJLQKJZVIVCP-DFQSSKMNSA-N 3 1 313.489 2.629 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CCN(Cc3ccccc3)C[C@@H]2C)CC[NH2+]1 ZINC000382744602 323302583 /nfs/dbraw/zinc/30/25/83/323302583.db2.gz REOBLROIOFHMAJ-ZIFCJYIRSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000386573010 323320099 /nfs/dbraw/zinc/32/00/99/323320099.db2.gz MHHPGCXAJBCADQ-YTQUADARSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870331 323321120 /nfs/dbraw/zinc/32/11/20/323321120.db2.gz KSICQLZDDBXMDB-GUDVDZBRSA-N 2 1 301.478 2.629 20 0 DFADMP C[N@@H+](CCN[C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)Cc1ccccc1 ZINC000386870331 323321124 /nfs/dbraw/zinc/32/11/24/323321124.db2.gz KSICQLZDDBXMDB-GUDVDZBRSA-N 2 1 301.478 2.629 20 0 DFADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000387462874 323324606 /nfs/dbraw/zinc/32/46/06/323324606.db2.gz QIOYOEDOAPAPSC-ZNMIVQPWSA-N 2 1 313.486 2.562 20 0 DFADMP COc1cc2c(cc1C[N@H+]1C[C@@H]3CCC[C@H]([NH3+])[C@H]3C1)O[C@H](C)C2 ZINC000391512674 323346154 /nfs/dbraw/zinc/34/61/54/323346154.db2.gz QOQPXIRWSWIBPZ-OQUILHJVSA-N 2 1 316.445 2.578 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)CCCC1 ZINC000396324714 323352813 /nfs/dbraw/zinc/35/28/13/323352813.db2.gz RFSXODGWRRGGMS-UHFFFAOYSA-N 2 1 308.388 2.686 20 0 DFADMP CC[N@@H+]1C[C@@H](C)N(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345497 323373579 /nfs/dbraw/zinc/37/35/79/323373579.db2.gz KMAOGIQZMPUPEP-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345497 323373583 /nfs/dbraw/zinc/37/35/83/323373583.db2.gz KMAOGIQZMPUPEP-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP CC[NH+]1C[C@@H](C)N(C(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345497 323373585 /nfs/dbraw/zinc/37/35/85/323373585.db2.gz KMAOGIQZMPUPEP-IXDOHACOSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H](C(=O)Nc1ccc2c(c1)CC[C@H]2[NH+](C)C)[NH+]1CC(C)C1 ZINC000580845233 323442989 /nfs/dbraw/zinc/44/29/89/323442989.db2.gz XIEQHBIGYVQULV-CXAGYDPISA-N 2 1 301.434 2.514 20 0 DFADMP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(O[C@H]2CCOC2)c1 ZINC000583434948 323854008 /nfs/dbraw/zinc/85/40/08/323854008.db2.gz UAGJNEDYEGHYBJ-RYRKJORJSA-N 2 1 318.461 2.640 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H]1[C@H]1CCCOC1)C[NH2+]CC2 ZINC000584475158 337346232 /nfs/dbraw/zinc/34/62/32/337346232.db2.gz WELYHAHGEUPDJQ-HKUYNNGSSA-N 2 1 300.446 2.723 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@@H](C)[N@H+](C)C[C@H]2C)c2ccccn21 ZINC000569817353 500632320 /nfs/dbraw/zinc/63/23/20/500632320.db2.gz KTCWRBDTAZOFKR-HUUCEWRRSA-N 2 1 300.450 2.982 20 0 DFADMP CC(C)c1[nH+]c(CN2C[C@@H](C)[N@@H+](C)C[C@H]2C)c2ccccn21 ZINC000569817353 500632324 /nfs/dbraw/zinc/63/23/24/500632324.db2.gz KTCWRBDTAZOFKR-HUUCEWRRSA-N 2 1 300.450 2.982 20 0 DFADMP C[C@H]1CN(c2cccc(F)c2)CC[N@@H+]1CC[C@H]1CCC[NH+]1C ZINC000292446393 533979701 /nfs/dbraw/zinc/97/97/01/533979701.db2.gz XLSUNHCBVKFLKA-DOTOQJQBSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@H]1CN(c2cccc(F)c2)CC[N@H+]1CC[C@H]1CCC[NH+]1C ZINC000292446393 533979709 /nfs/dbraw/zinc/97/97/09/533979709.db2.gz XLSUNHCBVKFLKA-DOTOQJQBSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@H]1CCC[N@@H+]1C ZINC000292446393 533979716 /nfs/dbraw/zinc/97/97/16/533979716.db2.gz XLSUNHCBVKFLKA-DOTOQJQBSA-N 2 1 305.441 2.821 20 0 DFADMP C[C@H]1CN(c2cccc(F)c2)CC[NH+]1CC[C@H]1CCC[N@H+]1C ZINC000292446393 533979719 /nfs/dbraw/zinc/97/97/19/533979719.db2.gz XLSUNHCBVKFLKA-DOTOQJQBSA-N 2 1 305.441 2.821 20 0 DFADMP Cc1cc2ccccc2c(NCCN2CCC([NH+](C)C)CC2)[nH+]1 ZINC000302044890 534120205 /nfs/dbraw/zinc/12/02/05/534120205.db2.gz MPQMQEOPHRZWEW-UHFFFAOYSA-N 2 1 312.461 2.981 20 0 DFADMP C(CO[C@H]1CCCCO1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000338317573 518393136 /nfs/dbraw/zinc/39/31/36/518393136.db2.gz NTKFVJFYIDOHOU-MSOLQXFVSA-N 2 1 310.482 2.870 20 0 DFADMP C(CO[C@@H]1CCCCO1)C[N@H+]1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000338317592 518394256 /nfs/dbraw/zinc/39/42/56/518394256.db2.gz NTKFVJFYIDOHOU-ZWKOTPCHSA-N 2 1 310.482 2.870 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2ccc(Br)cn2)CC1 ZINC000157335030 519915042 /nfs/dbraw/zinc/91/50/42/519915042.db2.gz GPLVQIHDQZSWAN-UHFFFAOYSA-N 2 1 312.255 2.666 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)[C@@H](C)CC(C)C ZINC000361213348 521632853 /nfs/dbraw/zinc/63/28/53/521632853.db2.gz QWLCYTPHUOYVFZ-DLBZAZTESA-N 2 1 311.514 2.543 20 0 DFADMP CCOC1CC(CC[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)C1 ZINC000364841807 521645990 /nfs/dbraw/zinc/64/59/90/521645990.db2.gz BTEFNBUXEVBABA-VSEWYGJTSA-N 2 1 324.509 2.671 20 0 DFADMP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000156546530 521658439 /nfs/dbraw/zinc/65/84/39/521658439.db2.gz ILXNCDZFMTWSDQ-IBGZPJMESA-N 2 1 319.468 2.864 20 0 DFADMP CC[N@H+]1CCC[C@H]1CNC1CC[NH+](Cc2cccc(F)c2)CC1 ZINC000156546530 521658443 /nfs/dbraw/zinc/65/84/43/521658443.db2.gz ILXNCDZFMTWSDQ-IBGZPJMESA-N 2 1 319.468 2.864 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CCCCC[NH+]2CCCC2)s1 ZINC000339498926 521938833 /nfs/dbraw/zinc/93/88/33/521938833.db2.gz ACDZKYAYSOJWDD-UHFFFAOYSA-N 3 1 310.511 2.560 20 0 DFADMP C[NH+]1CCC([NH2+]C2CCC(O)(c3cccc(F)c3)CC2)CC1 ZINC000364940011 523775842 /nfs/dbraw/zinc/77/58/42/523775842.db2.gz LFBGAGFEDRAHQV-UHFFFAOYSA-N 2 1 306.425 2.640 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=O)CC(C)(C)[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000366324706 523959888 /nfs/dbraw/zinc/95/98/88/523959888.db2.gz BAUJMTUHVAAOFL-BBRMVZONSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H]1CC[C@H](C[N@H+](C)C2CC[NH+](CCc3ccncc3)CC2)O1 ZINC000365074274 524405969 /nfs/dbraw/zinc/40/59/69/524405969.db2.gz VKXLPXQXRBVELW-QFBILLFUSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@H]1CC[C@H](C[N@@H+](C)C2CC[NH+](CCc3ccncc3)CC2)O1 ZINC000365074274 524405978 /nfs/dbraw/zinc/40/59/78/524405978.db2.gz VKXLPXQXRBVELW-QFBILLFUSA-N 2 1 317.477 2.588 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@@H]1C)c1nccs1 ZINC000365046484 524498767 /nfs/dbraw/zinc/49/87/67/524498767.db2.gz VJZSJZJRJPNNOQ-FXUDXRNXSA-N 2 1 323.506 2.726 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC[N@@H+]1C ZINC000154574178 524804679 /nfs/dbraw/zinc/80/46/79/524804679.db2.gz SFGXVQXPKXXCTG-YJBOKZPZSA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CCN(C(=O)C3CCCCC3)CC2)CC[N@H+]1C ZINC000154574178 524804690 /nfs/dbraw/zinc/80/46/90/524804690.db2.gz SFGXVQXPKXXCTG-YJBOKZPZSA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1C ZINC000128357560 525919205 /nfs/dbraw/zinc/91/92/05/525919205.db2.gz OOVBYWGFUWHEQN-SFHVURJKSA-N 2 1 303.494 2.982 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000358153859 536482233 /nfs/dbraw/zinc/48/22/33/536482233.db2.gz DQRJGZBCPHZSCH-KRWDZBQOSA-N 2 1 320.433 2.710 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2ccc(-c3cccc(F)c3)s2)C1 ZINC000358153859 536482236 /nfs/dbraw/zinc/48/22/36/536482236.db2.gz DQRJGZBCPHZSCH-KRWDZBQOSA-N 2 1 320.433 2.710 20 0 DFADMP Cc1nc(C[N@@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)oc1C ZINC000372237342 526856913 /nfs/dbraw/zinc/85/69/13/526856913.db2.gz RNAIGOSATCINKV-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP Cc1nc(C[N@H+]2CCCN(c3cc[nH+]c(C)c3)CC2)oc1C ZINC000372237342 526856919 /nfs/dbraw/zinc/85/69/19/526856919.db2.gz RNAIGOSATCINKV-UHFFFAOYSA-N 2 1 300.406 2.707 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000294732084 527082474 /nfs/dbraw/zinc/08/24/74/527082474.db2.gz DIRZNNLHGUSRCV-ZBHOBAHQSA-N 2 1 301.434 2.921 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000294732084 527082481 /nfs/dbraw/zinc/08/24/81/527082481.db2.gz DIRZNNLHGUSRCV-ZBHOBAHQSA-N 2 1 301.434 2.921 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000163277455 527398402 /nfs/dbraw/zinc/39/84/02/527398402.db2.gz GFAJRQRYLAUXGJ-QGZVFWFLSA-N 2 1 300.406 2.520 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000163277455 527398405 /nfs/dbraw/zinc/39/84/05/527398405.db2.gz GFAJRQRYLAUXGJ-QGZVFWFLSA-N 2 1 300.406 2.520 20 0 DFADMP FC(F)(F)COCCC[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000157272162 527668909 /nfs/dbraw/zinc/66/89/09/527668909.db2.gz MVHOMUUMJZCJSP-CQSZACIVSA-N 2 1 308.388 2.906 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCN2CCc3ccccc32)C1 ZINC000292396136 527838231 /nfs/dbraw/zinc/83/82/31/527838231.db2.gz IWWKPWNVACNUPL-KRWDZBQOSA-N 2 1 301.478 2.713 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCN2CCc3ccccc32)C1 ZINC000292396136 527838238 /nfs/dbraw/zinc/83/82/38/527838238.db2.gz IWWKPWNVACNUPL-KRWDZBQOSA-N 2 1 301.478 2.713 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCN2CCc3ccccc32)C1 ZINC000292396136 527838243 /nfs/dbraw/zinc/83/82/43/527838243.db2.gz IWWKPWNVACNUPL-KRWDZBQOSA-N 2 1 301.478 2.713 20 0 DFADMP CCC[C@@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309886328 527893705 /nfs/dbraw/zinc/89/37/05/527893705.db2.gz LGPLEXWDAXCVNF-IEBWSBKVSA-N 2 1 317.477 2.532 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236836157 535048262 /nfs/dbraw/zinc/04/82/62/535048262.db2.gz HVCBFGWCFIJDNI-JQHSSLGASA-N 2 1 317.477 2.673 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H]([NH3+])c2ccccc2)CC1 ZINC000236709351 535213479 /nfs/dbraw/zinc/21/34/79/535213479.db2.gz LIFZJHXUVVXXIY-SFHVURJKSA-N 2 1 317.477 2.657 20 0 DFADMP CCC[N@@H+](CCC(=O)Nc1cccc(F)c1)C1CC[NH2+]CC1 ZINC000262343333 535314577 /nfs/dbraw/zinc/31/45/77/535314577.db2.gz UOMMYFLLBSCTKF-UHFFFAOYSA-N 2 1 307.413 2.618 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361581698 535324417 /nfs/dbraw/zinc/32/44/17/535324417.db2.gz KBEUQWQTRNXSKH-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CC[NH+](C)C)[C@@H]1Oc1ccccc1 ZINC000357460573 535512336 /nfs/dbraw/zinc/51/23/36/535512336.db2.gz QYMRODGCCSKCJM-OWLYRPNTSA-N 2 1 306.450 2.541 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000361030020 535577914 /nfs/dbraw/zinc/57/79/14/535577914.db2.gz SOQKKFWQTXURNM-RDJZCZTQSA-N 2 1 319.497 2.533 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000170903731 535637533 /nfs/dbraw/zinc/63/75/33/535637533.db2.gz NASWGGMFXUCZGM-ZWKOTPCHSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+](CC)[C@@H](C)CN[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000355309572 535651377 /nfs/dbraw/zinc/65/13/77/535651377.db2.gz GBONLYKUXNRZBJ-PKOBYXMFSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+](CC)[C@@H](C)CN[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000355309572 535651379 /nfs/dbraw/zinc/65/13/79/535651379.db2.gz GBONLYKUXNRZBJ-PKOBYXMFSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@H](C)c3ccccc3)C2)CC1 ZINC000249030972 535734973 /nfs/dbraw/zinc/73/49/73/535734973.db2.gz RAGVKBWUAYLAAI-AZUAARDMSA-N 2 1 315.505 2.892 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@H](C)Cc3ccccc3)C2)CC1 ZINC000249392776 535738548 /nfs/dbraw/zinc/73/85/48/535738548.db2.gz AGTOYYZJPPJMLE-UYAOXDASSA-N 2 1 315.505 2.577 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)C(C)(C)C1 ZINC000262701030 535758479 /nfs/dbraw/zinc/75/84/79/535758479.db2.gz HZKHFMRPKSRZBM-IBGZPJMESA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)C(C)(C)C1 ZINC000262701030 535758483 /nfs/dbraw/zinc/75/84/83/535758483.db2.gz HZKHFMRPKSRZBM-IBGZPJMESA-N 2 1 317.477 2.627 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccs1 ZINC000361355975 535895091 /nfs/dbraw/zinc/89/50/91/535895091.db2.gz KDDJUBRCIAQLSO-HNNXBMFYSA-N 2 1 323.506 2.732 20 0 DFADMP C[NH+](C)Cc1ccc(CN[C@H]2CC[N@H+]3CCC[C@H]3C2)cc1F ZINC000358248620 536011119 /nfs/dbraw/zinc/01/11/19/536011119.db2.gz MFCQEIDEISMXCV-IRXDYDNUSA-N 2 1 305.441 2.604 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH2+][C@H](c1ccc2c(c1)OCCO2)C1CC1 ZINC000245967861 536370242 /nfs/dbraw/zinc/37/02/42/536370242.db2.gz ZGHJGTSVOKWNAU-APWZRJJASA-N 2 1 316.445 2.983 20 0 DFADMP COc1ccc(C(=O)C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000261695456 536663275 /nfs/dbraw/zinc/66/32/75/536663275.db2.gz BVDFFZZICFIKSF-IBGZPJMESA-N 2 1 316.445 2.590 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1 ZINC000261647512 536678112 /nfs/dbraw/zinc/67/81/12/536678112.db2.gz GXYBJFONPCGVRR-MOPGFXCFSA-N 2 1 324.424 2.648 20 0 DFADMP COc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)sc2c1 ZINC000262007735 537052543 /nfs/dbraw/zinc/05/25/43/537052543.db2.gz USUBVJLUPXUPRK-YUTCNCBUSA-N 2 1 317.458 2.864 20 0 DFADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@H]([NH3+])[C@@H]4C3)sc2c1 ZINC000262007735 537052546 /nfs/dbraw/zinc/05/25/46/537052546.db2.gz USUBVJLUPXUPRK-YUTCNCBUSA-N 2 1 317.458 2.864 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]C/C=C\c2ccc(F)cc2F)CC1 ZINC000680494997 545502371 /nfs/dbraw/zinc/50/23/71/545502371.db2.gz OEIUASOETHUSSJ-DJWKRKHSSA-N 2 1 323.431 2.595 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](CO)[C@@H](C)c1ccccc1 ZINC000680988628 545576916 /nfs/dbraw/zinc/57/69/16/545576916.db2.gz AQVMPXBLLFZZAF-YJBOKZPZSA-N 2 1 301.434 2.726 20 0 DFADMP CC[C@@H]1CN(C(=O)C(C)C)CC[C@@H]1[NH2+]CC[C@H]1CCCC[N@H+]1C ZINC000681451753 545642421 /nfs/dbraw/zinc/64/24/21/545642421.db2.gz ZXDZJOHAGMYCEX-KURKYZTESA-N 2 1 323.525 2.734 20 0 DFADMP C[N@@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914385 545749931 /nfs/dbraw/zinc/74/99/31/545749931.db2.gz CKRNPXWTPFMPHB-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](Cc1cc(-c2ccccc2)n[nH]1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681914385 545749935 /nfs/dbraw/zinc/74/99/35/545749935.db2.gz CKRNPXWTPFMPHB-HNNXBMFYSA-N 2 1 321.428 2.968 20 0 DFADMP C[N@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681927685 545755278 /nfs/dbraw/zinc/75/52/78/545755278.db2.gz LPVLQSJEEZRSON-MRXNPFEDSA-N 2 1 311.429 2.555 20 0 DFADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CCc2[nH+]ccn2C1 ZINC000681927685 545755282 /nfs/dbraw/zinc/75/52/82/545755282.db2.gz LPVLQSJEEZRSON-MRXNPFEDSA-N 2 1 311.429 2.555 20 0 DFADMP C[C@H](C[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1)c1ccc(F)cc1 ZINC000682154440 545805350 /nfs/dbraw/zinc/80/53/50/545805350.db2.gz CNAWWQXJFZNMSC-APWZRJJASA-N 2 1 319.468 2.641 20 0 DFADMP Cn1cncc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000682646966 545891657 /nfs/dbraw/zinc/89/16/57/545891657.db2.gz XNIPPJLVIGTPIM-YQQQUEKLSA-N 2 1 324.472 2.748 20 0 DFADMP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000682913876 545940364 /nfs/dbraw/zinc/94/03/64/545940364.db2.gz OMSBCKMJGBKKND-MRVWCRGKSA-N 2 1 308.388 2.542 20 0 DFADMP CC(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCO)CC2)c2ccccc21 ZINC000683693312 546076947 /nfs/dbraw/zinc/07/69/47/546076947.db2.gz VKRYRYAIKWAHBS-RBUKOAKNSA-N 2 1 302.462 2.917 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cc3ccccc3[nH]2)CC1 ZINC000683927236 546121347 /nfs/dbraw/zinc/12/13/47/546121347.db2.gz HDQXCDIKMQEWFD-UHFFFAOYSA-N 2 1 314.477 2.675 20 0 DFADMP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)C1 ZINC000684366084 546201309 /nfs/dbraw/zinc/20/13/09/546201309.db2.gz IKDCGPKKSGGIKR-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP CC[N@@H+]1CCO[C@@H](CNc2cc[nH+]c3cc(F)c(OC)cc23)C1 ZINC000684571542 546245968 /nfs/dbraw/zinc/24/59/68/546245968.db2.gz BJNBRNXJNQCIGQ-LBPRGKRZSA-N 2 1 319.380 2.515 20 0 DFADMP CC[N@H+]1CCO[C@@H](CNc2cc[nH+]c3cc(F)c(OC)cc23)C1 ZINC000684571542 546245969 /nfs/dbraw/zinc/24/59/69/546245969.db2.gz BJNBRNXJNQCIGQ-LBPRGKRZSA-N 2 1 319.380 2.515 20 0 DFADMP COc1cc2c(N[C@@H](C)[C@H]3C[N@H+](C)CCO3)cc[nH+]c2cc1F ZINC000684578632 546247343 /nfs/dbraw/zinc/24/73/43/546247343.db2.gz VDNJUIFPQVVSOV-APPDUMDISA-N 2 1 319.380 2.514 20 0 DFADMP COc1cc2c(N[C@@H](C)[C@H]3C[N@@H+](C)CCO3)cc[nH+]c2cc1F ZINC000684578632 546247348 /nfs/dbraw/zinc/24/73/48/546247348.db2.gz VDNJUIFPQVVSOV-APPDUMDISA-N 2 1 319.380 2.514 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]CC2(CO)CC2)CC1 ZINC000684836038 546288522 /nfs/dbraw/zinc/28/85/22/546288522.db2.gz OKKHRRUTTGBNIE-UHFFFAOYSA-N 2 1 302.462 2.792 20 0 DFADMP Cc1ccncc1N1CCN(Cc2cccc(N(C)C)c2)CC1 ZINC000685007155 546318954 /nfs/dbraw/zinc/31/89/54/546318954.db2.gz RMWTYVQPMNVRLT-UHFFFAOYSA-N 2 1 310.445 2.778 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3cn4cccc(F)c4n3)C2)CC1 ZINC000685463109 546354591 /nfs/dbraw/zinc/35/45/91/546354591.db2.gz FVXYPHSQNLXRFN-OAHLLOKOSA-N 2 1 316.424 2.637 20 0 DFADMP CCC[C@]1(CO)CC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000685477481 546359090 /nfs/dbraw/zinc/35/90/90/546359090.db2.gz LMXAIBAERCZQOJ-IBGZPJMESA-N 2 1 320.477 2.612 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)o1 ZINC000685564020 546368254 /nfs/dbraw/zinc/36/82/54/546368254.db2.gz SHRZCHCONYDSAD-HNNXBMFYSA-N 2 1 300.406 2.929 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577462 546370597 /nfs/dbraw/zinc/37/05/97/546370597.db2.gz TZYJTDVSPJCSJZ-IKGGRYGDSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577462 546370600 /nfs/dbraw/zinc/37/06/00/546370600.db2.gz TZYJTDVSPJCSJZ-IKGGRYGDSA-N 2 1 305.466 2.973 20 0 DFADMP Cc1nc2ccccc2nc1C[N@@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928938 282085479 /nfs/dbraw/zinc/08/54/79/282085479.db2.gz VNGWSVXWUMPIME-QINHECLXSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[N@H+]1C[C@@H]2C[NH+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928938 282085480 /nfs/dbraw/zinc/08/54/80/282085480.db2.gz VNGWSVXWUMPIME-QINHECLXSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928938 282085481 /nfs/dbraw/zinc/08/54/81/282085481.db2.gz VNGWSVXWUMPIME-QINHECLXSA-N 2 1 322.456 2.854 20 0 DFADMP Cc1nc2ccccc2nc1C[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000360928938 282085482 /nfs/dbraw/zinc/08/54/82/282085482.db2.gz VNGWSVXWUMPIME-QINHECLXSA-N 2 1 322.456 2.854 20 0 DFADMP Fc1ccc(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)cc1F ZINC000076682459 185031724 /nfs/dbraw/zinc/03/17/24/185031724.db2.gz YDGUDHQEAIGRTO-UHFFFAOYSA-N 2 1 310.388 2.509 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc(C)sc2C)C1 ZINC000443622271 297222767 /nfs/dbraw/zinc/22/27/67/297222767.db2.gz WTHWXCGAGLGXIH-HNNXBMFYSA-N 2 1 311.495 2.693 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc(C)sc2C)C1 ZINC000443622271 297222770 /nfs/dbraw/zinc/22/27/70/297222770.db2.gz WTHWXCGAGLGXIH-HNNXBMFYSA-N 2 1 311.495 2.693 20 0 DFADMP CCn1cc(C[N@@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310427129 231113212 /nfs/dbraw/zinc/11/32/12/231113212.db2.gz RVZUHSZSRZXRKH-UXHICEINSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[N@H+]2C[C@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310427129 231113214 /nfs/dbraw/zinc/11/32/14/231113214.db2.gz RVZUHSZSRZXRKH-UXHICEINSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[NH+]2C[C@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310427129 231113216 /nfs/dbraw/zinc/11/32/16/231113216.db2.gz RVZUHSZSRZXRKH-UXHICEINSA-N 2 1 324.472 2.857 20 0 DFADMP CCn1cc(C[NH+]2C[C@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000310427129 231113218 /nfs/dbraw/zinc/11/32/18/231113218.db2.gz RVZUHSZSRZXRKH-UXHICEINSA-N 2 1 324.472 2.857 20 0 DFADMP Nc1ncccc1C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310291805 231113379 /nfs/dbraw/zinc/11/33/79/231113379.db2.gz RSLDKNLLYNQGLK-MJGOQNOKSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[N@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC000310291805 231113382 /nfs/dbraw/zinc/11/33/82/231113382.db2.gz RSLDKNLLYNQGLK-MJGOQNOKSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310291805 231113384 /nfs/dbraw/zinc/11/33/84/231113384.db2.gz RSLDKNLLYNQGLK-MJGOQNOKSA-N 2 1 322.456 2.618 20 0 DFADMP Nc1ncccc1C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C1 ZINC000310291805 231113388 /nfs/dbraw/zinc/11/33/88/231113388.db2.gz RSLDKNLLYNQGLK-MJGOQNOKSA-N 2 1 322.456 2.618 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2ccnc2C)C1 ZINC000591905007 398348410 /nfs/dbraw/zinc/34/84/10/398348410.db2.gz AVUNQFIGVGWREX-DZGCQCFKSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905007 398348414 /nfs/dbraw/zinc/34/84/14/398348414.db2.gz AVUNQFIGVGWREX-DZGCQCFKSA-N 2 1 306.454 2.522 20 0 DFADMP CCC(C)(C)NC(=O)[C@H](C)[N@H+]1CCC[C@@H](n2cc[nH+]c2C)C1 ZINC000591905007 398348415 /nfs/dbraw/zinc/34/84/15/398348415.db2.gz AVUNQFIGVGWREX-DZGCQCFKSA-N 2 1 306.454 2.522 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906431 398349627 /nfs/dbraw/zinc/34/96/27/398349627.db2.gz OFYKQWSGQXNCAV-NVXWUHKLSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906431 398349632 /nfs/dbraw/zinc/34/96/32/398349632.db2.gz OFYKQWSGQXNCAV-NVXWUHKLSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@H](C)C(=O)N2CCCCCC2)C1 ZINC000591906431 398349636 /nfs/dbraw/zinc/34/96/36/398349636.db2.gz OFYKQWSGQXNCAV-NVXWUHKLSA-N 2 1 318.465 2.620 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CNC3=[NH+]CCCN3)cc2)C1 ZINC000066243399 398364162 /nfs/dbraw/zinc/36/41/62/398364162.db2.gz QGJGXTILUWLXBX-IYBDPMFKSA-N 2 1 314.477 2.603 20 0 DFADMP CC[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ccc(C(=O)OC)cc1 ZINC000294708887 529593198 /nfs/dbraw/zinc/59/31/98/529593198.db2.gz JKEUGLLNVZFUPI-KRWDZBQOSA-N 2 1 302.418 2.776 20 0 DFADMP Oc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)cc1 ZINC000237968422 398375886 /nfs/dbraw/zinc/37/58/86/398375886.db2.gz VGTSCUWIPAVFLX-UHFFFAOYSA-N 2 1 312.413 2.514 20 0 DFADMP Cc1ccoc1C[NH+]1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000092587419 185327572 /nfs/dbraw/zinc/32/75/72/185327572.db2.gz XDEBGIIGKAQWGU-IYBDPMFKSA-N 2 1 306.450 2.909 20 0 DFADMP COCC[NH2+]C1CC[NH+](CCCOc2c(C)cccc2C)CC1 ZINC000584724829 398403959 /nfs/dbraw/zinc/40/39/59/398403959.db2.gz KIKFAKAQWRSYTQ-UHFFFAOYSA-N 2 1 320.477 2.773 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710733 529811718 /nfs/dbraw/zinc/81/17/18/529811718.db2.gz DEOGYUIACFMICQ-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710733 529811719 /nfs/dbraw/zinc/81/17/19/529811719.db2.gz DEOGYUIACFMICQ-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000292710733 529811721 /nfs/dbraw/zinc/81/17/21/529811721.db2.gz DEOGYUIACFMICQ-IBGZPJMESA-N 2 1 300.446 2.582 20 0 DFADMP COC(=O)c1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000592433659 398425768 /nfs/dbraw/zinc/42/57/68/398425768.db2.gz OBQCAKCFLCEMDL-ROUUACIJSA-N 2 1 316.445 2.685 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCCc1c[nH+]cn1C ZINC000584847500 398421906 /nfs/dbraw/zinc/42/19/06/398421906.db2.gz PEQBKTZUQFNSIO-HNNXBMFYSA-N 2 1 324.432 2.626 20 0 DFADMP C[C@@H](c1ccc(-n2cncn2)cc1)[N@@H+](C)CCCc1c[nH+]cn1C ZINC000584847500 398421907 /nfs/dbraw/zinc/42/19/07/398421907.db2.gz PEQBKTZUQFNSIO-HNNXBMFYSA-N 2 1 324.432 2.626 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852392 529930310 /nfs/dbraw/zinc/93/03/10/529930310.db2.gz QSGUXISTZOETBJ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852392 529930312 /nfs/dbraw/zinc/93/03/12/529930312.db2.gz QSGUXISTZOETBJ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](O)Cc1ccc(F)cc1 ZINC000292852392 529930314 /nfs/dbraw/zinc/93/03/14/529930314.db2.gz QSGUXISTZOETBJ-ZWKOTPCHSA-N 2 1 308.441 2.535 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000088684421 398440212 /nfs/dbraw/zinc/44/02/12/398440212.db2.gz OOLUXEFVXZEJCT-LPHOPBHVSA-N 2 1 312.461 2.692 20 0 DFADMP COC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[N@H+]1CCCC1CC[NH2+]CC1 ZINC000592493590 398433403 /nfs/dbraw/zinc/43/34/03/398433403.db2.gz XDBHXNQFVRYGGJ-ZACQAIPSSA-N 2 1 308.466 2.572 20 0 DFADMP CC[NH+](CC)C[C@@H](C)[NH2+]C1CCN(C(=O)OCC(C)C)CC1 ZINC000089147461 398444026 /nfs/dbraw/zinc/44/40/26/398444026.db2.gz MIRDBVMOOQWXNO-OAHLLOKOSA-N 2 1 313.486 2.563 20 0 DFADMP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C3CC3)CC2)c2ccccc21 ZINC000459441274 299108086 /nfs/dbraw/zinc/10/80/86/299108086.db2.gz NMUFVGLDQKUKBF-SFHVURJKSA-N 2 1 313.445 2.701 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C2CC3(CCC3)C2)C1 ZINC000459456307 299111137 /nfs/dbraw/zinc/11/11/37/299111137.db2.gz DVZSNEKPFNCKCJ-SFHVURJKSA-N 2 1 300.446 2.676 20 0 DFADMP c1cc(C[NH2+]C2CCN(C3CC3)CC2)cc(OC2CCC2)n1 ZINC000459460202 299111942 /nfs/dbraw/zinc/11/19/42/299111942.db2.gz RXBJHUFEHLFBRT-UHFFFAOYSA-N 2 1 301.434 2.729 20 0 DFADMP COCc1cc(CN[C@@H](C)[C@H]2CCC[N@H+](C3CCC3)C2)no1 ZINC000459460035 299112314 /nfs/dbraw/zinc/11/23/14/299112314.db2.gz IMVGCXXSRXVQHK-KBPBESRZSA-N 2 1 307.438 2.564 20 0 DFADMP O[C@@H]1C[C@H](CNc2cc[nH+]cc2Cl)[N@H+](Cc2ccccc2)C1 ZINC000089643878 398462151 /nfs/dbraw/zinc/46/21/51/398462151.db2.gz CUWSPHVEPLHLJI-HUUCEWRRSA-N 2 1 317.820 2.782 20 0 DFADMP O[C@@H]1C[C@H](CNc2cc[nH+]cc2Cl)[N@@H+](Cc2ccccc2)C1 ZINC000089643878 398462153 /nfs/dbraw/zinc/46/21/53/398462153.db2.gz CUWSPHVEPLHLJI-HUUCEWRRSA-N 2 1 317.820 2.782 20 0 DFADMP Cc1nn(C)cc1C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000459471032 299114737 /nfs/dbraw/zinc/11/47/37/299114737.db2.gz FLXNWIKFRWWZGK-UHFFFAOYSA-N 2 1 321.428 2.599 20 0 DFADMP Fc1cc(C[NH2+][C@H]2CCC[NH2+]CC2)c(F)cc1Br ZINC000530217235 301030175 /nfs/dbraw/zinc/03/01/75/301030175.db2.gz AKCSQLLOGBKZES-JTQLQIEISA-N 2 1 319.193 2.959 20 0 DFADMP Cn1c2ccccc2nc1CCC[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000090050152 398476442 /nfs/dbraw/zinc/47/64/42/398476442.db2.gz REULPLBSXZOQOR-HZPDHXFCSA-N 2 1 312.461 2.722 20 0 DFADMP c1n[nH]c2cc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccc12 ZINC000459524800 299125301 /nfs/dbraw/zinc/12/53/01/299125301.db2.gz MTVIGLNDFUDHEX-UHFFFAOYSA-N 2 1 321.428 2.759 20 0 DFADMP CC[C@H](C)[C@H](O)C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272704211 210109690 /nfs/dbraw/zinc/10/96/90/210109690.db2.gz ZSFIHSUQQRSDTA-OGWHTMIXSA-N 2 1 304.478 2.894 20 0 DFADMP C[C@@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(-n2cncn2)cc1 ZINC000272703389 210108209 /nfs/dbraw/zinc/10/82/09/210108209.db2.gz ZLZCPKRPRKBBNH-NVXWUHKLSA-N 2 1 313.449 2.792 20 0 DFADMP Cc1ccoc1C[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000272701290 210107807 /nfs/dbraw/zinc/10/78/07/210107807.db2.gz GJFFSMWPIRGKEH-SFHVURJKSA-N 2 1 314.429 2.835 20 0 DFADMP Cc1ccoc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000272701290 210107810 /nfs/dbraw/zinc/10/78/10/210107810.db2.gz GJFFSMWPIRGKEH-SFHVURJKSA-N 2 1 314.429 2.835 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272698709 210104270 /nfs/dbraw/zinc/10/42/70/210104270.db2.gz XYAIWDVVNNOZCC-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272698709 210104274 /nfs/dbraw/zinc/10/42/74/210104274.db2.gz XYAIWDVVNNOZCC-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272698709 210104276 /nfs/dbraw/zinc/10/42/76/210104276.db2.gz XYAIWDVVNNOZCC-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272698709 210104262 /nfs/dbraw/zinc/10/42/62/210104262.db2.gz XYAIWDVVNNOZCC-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272698709 210104267 /nfs/dbraw/zinc/10/42/67/210104267.db2.gz XYAIWDVVNNOZCC-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCc3ccc(C)cc3)C2)CC1 ZINC000181858553 199363053 /nfs/dbraw/zinc/36/30/53/199363053.db2.gz GBQRZQDFJFFONH-FQEVSTJZSA-N 2 1 315.505 2.639 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)NCC[C@@H]1CCC[NH+]1C ZINC000091075125 398507934 /nfs/dbraw/zinc/50/79/34/398507934.db2.gz QAUPHQBRZDZRGY-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)NCC[C@@H]1CCC[N@@H+]1C ZINC000091075125 398507937 /nfs/dbraw/zinc/50/79/37/398507937.db2.gz QAUPHQBRZDZRGY-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)NCC[C@@H]1CCC[N@H+]1C ZINC000091075125 398507943 /nfs/dbraw/zinc/50/79/43/398507943.db2.gz QAUPHQBRZDZRGY-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCC[N@@H+]1C ZINC000091075125 398507944 /nfs/dbraw/zinc/50/79/44/398507944.db2.gz QAUPHQBRZDZRGY-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP CN(Cc1ccccc1)CC(C)(C)[NH2+]CC[C@@H]1CCC[N@H+]1C ZINC000091075125 398507948 /nfs/dbraw/zinc/50/79/48/398507948.db2.gz QAUPHQBRZDZRGY-SFHVURJKSA-N 2 1 303.494 2.971 20 0 DFADMP C[N@@H+](CCCNC(=O)CC[C@@H]1CCC[NH2+]C1)C1CCCCC1 ZINC000314804032 398522193 /nfs/dbraw/zinc/52/21/93/398522193.db2.gz MEKHURSASHSOLK-INIZCTEOSA-N 2 1 309.498 2.537 20 0 DFADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000091333573 398526045 /nfs/dbraw/zinc/52/60/45/398526045.db2.gz SPYLXBOILFWUTC-ZWKOTPCHSA-N 2 1 317.477 2.561 20 0 DFADMP C[C@@H](C[NH+](C)C)N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000286880282 219206926 /nfs/dbraw/zinc/20/69/26/219206926.db2.gz CJYILLYTKWUTLQ-DSLXNQLJSA-N 2 1 301.478 2.722 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C(F)F)c3)C2)CC1 ZINC000279693683 215066818 /nfs/dbraw/zinc/06/68/18/215066818.db2.gz IFZCIVPTVLMRSB-KRWDZBQOSA-N 2 1 323.431 2.836 20 0 DFADMP CCc1oc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C(=O)OC ZINC000589206527 398538100 /nfs/dbraw/zinc/53/81/00/398538100.db2.gz PFZXNGJMQLSYKC-XJKSGUPXSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1C(=O)OC ZINC000589206527 398538102 /nfs/dbraw/zinc/53/81/02/398538102.db2.gz PFZXNGJMQLSYKC-XJKSGUPXSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@H]32)cc1C(=O)OC ZINC000589206527 398538104 /nfs/dbraw/zinc/53/81/04/398538104.db2.gz PFZXNGJMQLSYKC-XJKSGUPXSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@H]32)cc1C(=O)OC ZINC000589206527 398538106 /nfs/dbraw/zinc/53/81/06/398538106.db2.gz PFZXNGJMQLSYKC-XJKSGUPXSA-N 2 1 320.433 2.545 20 0 DFADMP c1cc(CC[NH+]2CCC([NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000075639157 282555333 /nfs/dbraw/zinc/55/53/33/282555333.db2.gz LNKHQANRRWPQNH-UHFFFAOYSA-N 2 1 300.446 2.724 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000091739744 398543125 /nfs/dbraw/zinc/54/31/25/398543125.db2.gz DBNVKSQLODAJSZ-GUYCJALGSA-N 2 1 317.408 2.953 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[NH+]2CCCCC2)cc1F ZINC000597042485 398553915 /nfs/dbraw/zinc/55/39/15/398553915.db2.gz DKPGWIXDRSHWIO-UHFFFAOYSA-N 2 1 308.397 2.578 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CC[C@H]2CCC[N@@H+](C)C2)cc1Cl ZINC000597151983 398577043 /nfs/dbraw/zinc/57/70/43/398577043.db2.gz UGWLEKVQBSZQAQ-CYBMUJFWSA-N 2 1 324.852 2.948 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360985365 535077755 /nfs/dbraw/zinc/07/77/55/535077755.db2.gz VJYOXXRWFGMGII-ZDUSSCGKSA-N 2 1 314.424 2.815 20 0 DFADMP [NH3+]CCC1CC[NH+](Cc2csc(-c3ccccn3)n2)CC1 ZINC000070188489 398593311 /nfs/dbraw/zinc/59/33/11/398593311.db2.gz YNLFXWPBKVLTJC-UHFFFAOYSA-N 2 1 302.447 2.766 20 0 DFADMP CC[C@H]1CCCC[N@@H+]1CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092897839 398605884 /nfs/dbraw/zinc/60/58/84/398605884.db2.gz WLIIPWGMLQUFEX-HNNXBMFYSA-N 2 1 314.437 2.647 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNc1cncc(-n2cc[nH+]c2C)n1 ZINC000092897839 398605888 /nfs/dbraw/zinc/60/58/88/398605888.db2.gz WLIIPWGMLQUFEX-HNNXBMFYSA-N 2 1 314.437 2.647 20 0 DFADMP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3[nH+]ccn3C2)C1 ZINC000590184356 398604115 /nfs/dbraw/zinc/60/41/15/398604115.db2.gz IXKZQVISAOOGHK-XHSDSOJGSA-N 2 1 319.449 2.690 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H](C[NH+]2CCCC2)C1)Nc1ccc(F)cc1 ZINC000150760027 186064695 /nfs/dbraw/zinc/06/46/95/186064695.db2.gz ACBUGAFWENGKRO-HNNXBMFYSA-N 2 1 319.424 2.572 20 0 DFADMP Cc1cccc(NC2CC[NH+](CCC(=O)OC(C)C)CC2)[nH+]1 ZINC000072662238 398628840 /nfs/dbraw/zinc/62/88/40/398628840.db2.gz HNCQTYKINSVBEW-UHFFFAOYSA-N 2 1 305.422 2.608 20 0 DFADMP COc1ccc(OCCC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000152493339 186078868 /nfs/dbraw/zinc/07/88/68/186078868.db2.gz AEWCKCUZRREUIM-RKVPGOIHSA-N 2 1 306.450 2.782 20 0 DFADMP C[C@H](NCC(C)(C)[NH+](C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000152589173 186087160 /nfs/dbraw/zinc/08/71/60/186087160.db2.gz XWFGZLNIMCENOI-HNNXBMFYSA-N 2 1 307.482 2.618 20 0 DFADMP CC[C@@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700607 186104486 /nfs/dbraw/zinc/10/44/86/186104486.db2.gz WIUQGLOXSRNGRW-AHCXZYCDSA-N 2 1 317.477 2.529 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccnn1-c1ccccc1C ZINC000280024705 215320453 /nfs/dbraw/zinc/32/04/53/215320453.db2.gz UFNHMIDBLFANDP-UHFFFAOYSA-N 2 1 309.417 2.866 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000187994301 186241313 /nfs/dbraw/zinc/24/13/13/186241313.db2.gz UEHWKYUYKDTUNW-NVXWUHKLSA-N 2 1 308.441 2.583 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237462437 186293489 /nfs/dbraw/zinc/29/34/89/186293489.db2.gz MWCRDRKSUBWGPR-OWSLCNJRSA-N 2 1 321.509 2.535 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NCCC[NH+]1CCCC1 ZINC000268753929 186379458 /nfs/dbraw/zinc/37/94/58/186379458.db2.gz WOJCLHJEWSYKHF-AZUAARDMSA-N 2 1 315.505 2.973 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758662 186381379 /nfs/dbraw/zinc/38/13/79/186381379.db2.gz GBTWHCWLMLXMPD-SOLBZPMBSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758662 186381381 /nfs/dbraw/zinc/38/13/81/186381381.db2.gz GBTWHCWLMLXMPD-SOLBZPMBSA-N 2 1 316.493 2.890 20 0 DFADMP CCOc1cc2c(cc1C[NH2+]C1C[C@H]3CC[C@@H](C1)[NH2+]3)O[C@H](C)C2 ZINC000414819927 295821965 /nfs/dbraw/zinc/82/19/65/295821965.db2.gz ZYLRZMMOKPDPKC-AJSFGMTHSA-N 2 1 316.445 2.781 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnn(-c3ccc(F)cc3)c2)C1 ZINC000459735917 299176396 /nfs/dbraw/zinc/17/63/96/299176396.db2.gz PZBGKJXMUSYJDV-OAHLLOKOSA-N 2 1 316.424 2.833 20 0 DFADMP Clc1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc2c1OCCCO2 ZINC000414819704 295821496 /nfs/dbraw/zinc/82/14/96/295821496.db2.gz ZJUBGSJCKIOUQG-PBWFPOADSA-N 2 1 322.836 2.874 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(-c2ccc(F)cc2)c1C ZINC000414845324 295825662 /nfs/dbraw/zinc/82/56/62/295825662.db2.gz SHDXFFUCCWRDLR-LBPRGKRZSA-N 2 1 304.413 2.573 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]Cc1c(C)nn(Cc2ccc(C)cc2)c1C ZINC000414849700 295825928 /nfs/dbraw/zinc/82/59/28/295825928.db2.gz YCVPPGPIOZDWIG-HNNXBMFYSA-N 2 1 314.477 2.802 20 0 DFADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Cl)c(Br)c1)C1CC1 ZINC000414888963 295830794 /nfs/dbraw/zinc/83/07/94/295830794.db2.gz FUPPTIWFFGBUGD-LBPRGKRZSA-N 2 1 303.631 2.929 20 0 DFADMP c1ccc2nc(N3CCCCC3)c(C[NH2+]C[C@@H]3CC[NH2+]C3)cc2c1 ZINC000414917665 295834896 /nfs/dbraw/zinc/83/48/96/295834896.db2.gz SEYYXIVANSGJDM-MRXNPFEDSA-N 2 1 324.472 2.924 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2[NH2+]CCCC2(C)C)C[C@H]1C ZINC000414924108 295835692 /nfs/dbraw/zinc/83/56/92/295835692.db2.gz GGFWTFHTXJFZJW-QXSJWSMHSA-N 2 1 310.482 2.722 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414955646 295840441 /nfs/dbraw/zinc/84/04/41/295840441.db2.gz MJNSEALXLQBKMG-AUUYWEPGSA-N 2 1 312.461 2.636 20 0 DFADMP COc1ccc(Br)cc1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414960847 295841364 /nfs/dbraw/zinc/84/13/64/295841364.db2.gz YLSHFZKDSDMRIM-GWCFXTLKSA-N 2 1 313.239 2.688 20 0 DFADMP CC1(C)C[NH2+]CC[C@@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000414966557 295842241 /nfs/dbraw/zinc/84/22/41/295842241.db2.gz GSLVSVZPDOHYAA-AWEZNQCLSA-N 2 1 310.825 2.589 20 0 DFADMP C[N@H+]1CCC[C@@H](CC[NH2+]Cc2c[nH]nc2-c2ccsc2)C1 ZINC000459777317 299189600 /nfs/dbraw/zinc/18/96/00/299189600.db2.gz KPCUJNFGCKKFAN-ZDUSSCGKSA-N 2 1 304.463 2.960 20 0 DFADMP C[C@@H](CCc1cccc(F)c1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000415001557 295846281 /nfs/dbraw/zinc/84/62/81/295846281.db2.gz MMYNPAYFXWWFOY-GXTWGEPZSA-N 2 1 300.368 2.981 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2CCC[N@@H+](C)C2)C[C@H]1C ZINC000459781797 299191347 /nfs/dbraw/zinc/19/13/47/299191347.db2.gz MMGHIHDVZUCIDI-LTIDMASMSA-N 2 1 310.482 2.676 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000414999616 295845858 /nfs/dbraw/zinc/84/58/58/295845858.db2.gz JKVUBEKRVCPFJD-RTBURBONSA-N 3 1 315.505 2.801 20 0 DFADMP FC(F)(F)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1 ZINC000415007546 295846645 /nfs/dbraw/zinc/84/66/45/295846645.db2.gz UZBDWCZCKSRKLC-GMTAPVOTSA-N 2 1 300.315 2.942 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCO[C@H]1c1ccc(F)c(F)c1 ZINC000277139297 213319981 /nfs/dbraw/zinc/31/99/81/213319981.db2.gz ZZPIXHMRVLHXPH-CVEARBPZSA-N 2 1 307.344 2.590 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(Br)s1 ZINC000401718609 398687834 /nfs/dbraw/zinc/68/78/34/398687834.db2.gz CQVWWQIIYIPJQY-UHFFFAOYSA-N 2 1 300.225 2.576 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1cc(F)cc(Br)c1 ZINC000401687986 398687944 /nfs/dbraw/zinc/68/79/44/398687944.db2.gz YFUFNUFYBGZUNU-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP C[C@@](O)(C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1)c1ccccc1 ZINC000173600707 198231887 /nfs/dbraw/zinc/23/18/87/198231887.db2.gz UZUZANBMSBKTQA-IEBWSBKVSA-N 2 1 302.462 2.702 20 0 DFADMP C[C@@H](Cc1ccc(Br)cc1)[NH2+]CCc1c[nH+]cn1C ZINC000401788515 398688431 /nfs/dbraw/zinc/68/84/31/398688431.db2.gz FPIKPERSIGPESR-LBPRGKRZSA-N 2 1 322.250 2.946 20 0 DFADMP COc1ccc(C2(C[NH2+][C@H]3CC[NH2+]C3)CCCCC2)cc1OC ZINC000415082640 295856005 /nfs/dbraw/zinc/85/60/05/295856005.db2.gz DLOHODJZYKEOKU-INIZCTEOSA-N 2 1 318.461 2.857 20 0 DFADMP Cc1cn2c(C[NH2+]C[C@@H](C)Cn3cc[nH+]c3C)c(C)nc2s1 ZINC000105442975 398692339 /nfs/dbraw/zinc/69/23/39/398692339.db2.gz VHUKKESGNWRFIG-LLVKDONJSA-N 2 1 317.462 2.943 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cs1 ZINC000415130803 295862514 /nfs/dbraw/zinc/86/25/14/295862514.db2.gz XWGDIGXPGLRIFQ-GDBMZVCRSA-N 2 1 323.506 2.985 20 0 DFADMP CC(C)c1nc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cs1 ZINC000415130805 295862541 /nfs/dbraw/zinc/86/25/41/295862541.db2.gz XWGDIGXPGLRIFQ-HOCLYGCPSA-N 2 1 323.506 2.985 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2)[C@H](C)C1 ZINC000174775046 198383704 /nfs/dbraw/zinc/38/37/04/198383704.db2.gz NWKXCALNYZPIGD-NVXWUHKLSA-N 2 1 303.450 2.677 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CC[NH+](C)C3)cc2)C1 ZINC000591096319 398726823 /nfs/dbraw/zinc/72/68/23/398726823.db2.gz CVAASAKSJYSBAU-DOTOQJQBSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@H+](C)C3)cc2)C1 ZINC000591096319 398726826 /nfs/dbraw/zinc/72/68/26/398726826.db2.gz CVAASAKSJYSBAU-DOTOQJQBSA-N 2 1 315.461 2.809 20 0 DFADMP C[C@H]1CCC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[N@@H+](C)C3)cc2)C1 ZINC000591096319 398726829 /nfs/dbraw/zinc/72/68/29/398726829.db2.gz CVAASAKSJYSBAU-DOTOQJQBSA-N 2 1 315.461 2.809 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N2CC[N@H+](C)Cc3ccccc32)c1 ZINC000073383795 191310479 /nfs/dbraw/zinc/31/04/79/191310479.db2.gz HVUJIGJGYMKIME-UHFFFAOYSA-N 2 1 323.440 2.840 20 0 DFADMP C[NH+](C)Cc1cccc(C(=O)N2CC[N@@H+](C)Cc3ccccc32)c1 ZINC000073383795 191310481 /nfs/dbraw/zinc/31/04/81/191310481.db2.gz HVUJIGJGYMKIME-UHFFFAOYSA-N 2 1 323.440 2.840 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130743070 283059264 /nfs/dbraw/zinc/05/92/64/283059264.db2.gz XIQQLRSCOXTOTP-RDJZCZTQSA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130743070 283059267 /nfs/dbraw/zinc/05/92/67/283059267.db2.gz XIQQLRSCOXTOTP-RDJZCZTQSA-N 2 1 320.481 2.693 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000130873575 283063681 /nfs/dbraw/zinc/06/36/81/283063681.db2.gz YCBHBCFUJOBNPG-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C)CC1CCCCC1 ZINC000130873575 283063684 /nfs/dbraw/zinc/06/36/84/283063684.db2.gz YCBHBCFUJOBNPG-UHFFFAOYSA-N 2 1 320.481 2.552 20 0 DFADMP CC[NH+](CC)Cc1nc(-c2cccc(OCC[NH+](C)C)c2)no1 ZINC000276987021 213221528 /nfs/dbraw/zinc/22/15/28/213221528.db2.gz WWKUAZZPDXFVNE-UHFFFAOYSA-N 2 1 318.421 2.519 20 0 DFADMP C[C@H](NC(=O)OC(C)(C)C)[C@@H]1CCC[N@@H+](CCn2ccnc2)C1 ZINC000132066234 283109097 /nfs/dbraw/zinc/10/90/97/283109097.db2.gz TVPFOVOQMBNWCQ-LSDHHAIUSA-N 2 1 322.453 2.508 20 0 DFADMP CSC[C@](C)(O)C[NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000080204060 192012388 /nfs/dbraw/zinc/01/23/88/192012388.db2.gz LKPJTIUFFYQRQU-GOSISDBHSA-N 2 1 324.534 2.848 20 0 DFADMP CCC[C@@H]1[C@H](C)CCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000464729278 299246485 /nfs/dbraw/zinc/24/64/85/299246485.db2.gz DIJMYPDNDKXXPU-SJLPKXTDSA-N 2 1 323.525 2.876 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000236909568 202066090 /nfs/dbraw/zinc/06/60/90/202066090.db2.gz WIUQGLOXSRNGRW-ONIAQPFYSA-N 2 1 317.477 2.529 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2cccc3[nH]ccc32)CC1 ZINC000236939692 202083482 /nfs/dbraw/zinc/08/34/82/202083482.db2.gz DURZYTMJJOFMKQ-UHFFFAOYSA-N 2 1 314.477 2.675 20 0 DFADMP CCC[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236948002 202088148 /nfs/dbraw/zinc/08/81/48/202088148.db2.gz WCZYGMDGVACBEH-PBHICJAKSA-N 2 1 303.450 2.984 20 0 DFADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@H+](C)Cc2ccccc2)C1 ZINC000591741512 398784077 /nfs/dbraw/zinc/78/40/77/398784077.db2.gz QTDDDDCRBAKWAY-FGTMMUONSA-N 2 1 322.518 2.743 20 0 DFADMP CS[C@@H]1CCC[C@@H]([NH2+]C[C@H](O)C[N@@H+](C)Cc2ccccc2)C1 ZINC000591741512 398784079 /nfs/dbraw/zinc/78/40/79/398784079.db2.gz QTDDDDCRBAKWAY-FGTMMUONSA-N 2 1 322.518 2.743 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1ccc(F)cc1 ZINC000048750412 398788491 /nfs/dbraw/zinc/78/84/91/398788491.db2.gz BZCXMYIXNHXVKD-UHFFFAOYSA-N 2 1 313.380 2.901 20 0 DFADMP C[N@@H+](Cc1ccccc1CNC(=O)C1([NH3+])CC1)C1CCCCC1 ZINC000237151053 202168835 /nfs/dbraw/zinc/16/88/35/202168835.db2.gz UZYINQWOCSLHSR-UHFFFAOYSA-N 2 1 315.461 2.559 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(OC)ccc2OC)[C@H](C)C1 ZINC000177955924 198794483 /nfs/dbraw/zinc/79/44/83/198794483.db2.gz PJYPKWUNIGHRPC-PBHICJAKSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)Cn1cccn1)[N@@H+](C)Cc1ccccc1 ZINC000138728731 283258256 /nfs/dbraw/zinc/25/82/56/283258256.db2.gz KCECOHMNUZFVJT-DLBZAZTESA-N 2 1 300.450 2.772 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@@H](C)Cn2cccn2)CC1 ZINC000138112667 283256293 /nfs/dbraw/zinc/25/62/93/283256293.db2.gz SQZBSOBGSFBLPI-KRWDZBQOSA-N 2 1 312.461 2.834 20 0 DFADMP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)CCC2 ZINC000594494468 398808966 /nfs/dbraw/zinc/80/89/66/398808966.db2.gz GOAUKYYGCARXBA-KDOFPFPSSA-N 2 1 316.445 2.782 20 0 DFADMP CC(C)[N@@H+](C)CC(=O)N[C@@H](C[NH+]1CCCCC1)c1ccccc1 ZINC000075630622 398813964 /nfs/dbraw/zinc/81/39/64/398813964.db2.gz JRMBNVXNYLPCJA-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CCCC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)C(=O)OC ZINC000179754979 199076107 /nfs/dbraw/zinc/07/61/07/199076107.db2.gz AHFVDGQSLISXPF-QGZVFWFLSA-N 2 1 319.449 2.619 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000354182969 291124949 /nfs/dbraw/zinc/12/49/49/291124949.db2.gz VJZJBQUHMWNLMO-UFYUIRFASA-N 2 1 324.509 2.920 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H](C)C[N@@H+]2C[C@H](C)C[C@H](C)C2)[C@H]1C ZINC000354182969 291124952 /nfs/dbraw/zinc/12/49/52/291124952.db2.gz VJZJBQUHMWNLMO-UFYUIRFASA-N 2 1 324.509 2.920 20 0 DFADMP Cc1ccc(NCCCNC(=O)[C@H](C)[NH+]2[C@@H](C)CC[C@@H]2C)[nH+]c1 ZINC000127720756 398822788 /nfs/dbraw/zinc/82/27/88/398822788.db2.gz NDRHYGCEYDYUKO-JYJNAYRXSA-N 2 1 318.465 2.570 20 0 DFADMP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2CCC[C@H](C)C2)c(C)o1 ZINC000594599579 398828196 /nfs/dbraw/zinc/82/81/96/398828196.db2.gz HMYCDWAVPUHZLJ-AWEZNQCLSA-N 2 1 322.449 2.976 20 0 DFADMP CCOC(=O)[C@H]([NH2+]C[C@H]1CC[NH2+][C@H](C)C1)C1CCCCCC1 ZINC000594583214 398824454 /nfs/dbraw/zinc/82/44/54/398824454.db2.gz BWIYMGBPYQVMMG-HLLBOEOZSA-N 2 1 310.482 2.866 20 0 DFADMP COc1ccccc1C[C@@H]([NH2+]CCc1c[nH+]cn1C)C(C)C ZINC000276713518 213060691 /nfs/dbraw/zinc/06/06/91/213060691.db2.gz VXNCIDMMJJWPAD-QGZVFWFLSA-N 2 1 301.434 2.828 20 0 DFADMP C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180105226 199117334 /nfs/dbraw/zinc/11/73/34/199117334.db2.gz NVBLADOBARAGBM-IHWFROFDSA-N 2 1 313.489 2.866 20 0 DFADMP CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180105226 199117335 /nfs/dbraw/zinc/11/73/35/199117335.db2.gz NVBLADOBARAGBM-IHWFROFDSA-N 3 1 313.489 2.866 20 0 DFADMP CN1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000180105226 199117337 /nfs/dbraw/zinc/11/73/37/199117337.db2.gz NVBLADOBARAGBM-IHWFROFDSA-N 3 1 313.489 2.866 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000180164533 199125001 /nfs/dbraw/zinc/12/50/01/199125001.db2.gz RTVHIXHQPCSCDJ-OKYOBFRVSA-N 2 1 302.462 2.648 20 0 DFADMP COc1cc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)ccn1 ZINC000131678013 398852867 /nfs/dbraw/zinc/85/28/67/398852867.db2.gz GFWMQIGJEJDNGI-UHFFFAOYSA-N 2 1 303.450 2.977 20 0 DFADMP C[C@@H]1CCC[C@@](C[NH2+]C2CCN(CC(F)F)CC2)([NH+](C)C)C1 ZINC000131254574 398850063 /nfs/dbraw/zinc/85/00/63/398850063.db2.gz CTGUCFLHAUSVQT-RHSMWYFYSA-N 2 1 317.468 2.816 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000076519389 398859321 /nfs/dbraw/zinc/85/93/21/398859321.db2.gz XZJBMVXSYDLJKT-IBGZPJMESA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076519389 398859325 /nfs/dbraw/zinc/85/93/25/398859325.db2.gz XZJBMVXSYDLJKT-IBGZPJMESA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000076519389 398859329 /nfs/dbraw/zinc/85/93/29/398859329.db2.gz XZJBMVXSYDLJKT-IBGZPJMESA-N 2 1 315.505 2.971 20 0 DFADMP COC(=O)[C@@H]1C[C@H]1[C@H](C)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000594917026 398870492 /nfs/dbraw/zinc/87/04/92/398870492.db2.gz FXVOWDWNZDFFLR-JCGIZDLHSA-N 2 1 318.461 2.814 20 0 DFADMP C[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccccc1 ZINC000180946097 199231977 /nfs/dbraw/zinc/23/19/77/199231977.db2.gz PGPFZZKCZWPNQH-KRWDZBQOSA-N 2 1 303.494 2.748 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CCCc3cccc(C)c3)C2)CC1 ZINC000181103603 199252895 /nfs/dbraw/zinc/25/28/95/199252895.db2.gz BYHFDIPWULYVEP-FQEVSTJZSA-N 2 1 315.505 2.639 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000177202012 283427615 /nfs/dbraw/zinc/42/76/15/283427615.db2.gz MRSXLBMIAYORDQ-CQSZACIVSA-N 2 1 313.486 2.706 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCCc2cnn(C)c2)CC1 ZINC000054337441 398896454 /nfs/dbraw/zinc/89/64/54/398896454.db2.gz VWJMVDZOJNKHNM-UHFFFAOYSA-N 2 1 306.498 2.797 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC000077313717 398898175 /nfs/dbraw/zinc/89/81/75/398898175.db2.gz CHNDGZBKZVCWRP-FUHWJXTLSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](CCc2cnn(C)c2)C1 ZINC000077313717 398898179 /nfs/dbraw/zinc/89/81/79/398898179.db2.gz CHNDGZBKZVCWRP-FUHWJXTLSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](CCc2cnn(C)c2)C1 ZINC000077313717 398898183 /nfs/dbraw/zinc/89/81/83/398898183.db2.gz CHNDGZBKZVCWRP-FUHWJXTLSA-N 2 1 304.482 2.549 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](CCc2cnn(C)c2)C1 ZINC000077313717 398898187 /nfs/dbraw/zinc/89/81/87/398898187.db2.gz CHNDGZBKZVCWRP-FUHWJXTLSA-N 2 1 304.482 2.549 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1(C)C ZINC000598974059 398900873 /nfs/dbraw/zinc/90/08/73/398900873.db2.gz LGIYASWIYGTXPF-IIBYNOLFSA-N 2 1 308.491 2.528 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1(C)C ZINC000598974059 398900876 /nfs/dbraw/zinc/90/08/76/398900876.db2.gz LGIYASWIYGTXPF-IIBYNOLFSA-N 2 1 308.491 2.528 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC2(C(=O)OC(C)(C)C)CCC2)[C@@H]2CCC[C@@H]21 ZINC000595098122 398904661 /nfs/dbraw/zinc/90/46/61/398904661.db2.gz AUCJZVWRIQIZAG-JYJNAYRXSA-N 2 1 322.493 2.961 20 0 DFADMP COC(=O)CC1CCC([NH2+][C@@H](C)C[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000599025879 398909800 /nfs/dbraw/zinc/90/98/00/398909800.db2.gz SMAYKLMLJLIHRU-JUVOFCAFSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)CC1CCC([NH2+][C@@H](C)C[N@H+]2CCC[C@H](C)C2)CC1 ZINC000599025879 398909802 /nfs/dbraw/zinc/90/98/02/398909802.db2.gz SMAYKLMLJLIHRU-JUVOFCAFSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]CCC[NH+]2CCC(O)CC2)C1 ZINC000187821347 283469842 /nfs/dbraw/zinc/46/98/42/283469842.db2.gz WFUQUSJKEVDHIY-QUCCMNQESA-N 2 1 316.489 2.933 20 0 DFADMP CSC[C@@H](O)C[N@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932131 200178650 /nfs/dbraw/zinc/17/86/50/200178650.db2.gz OQNMWUQNELOTQO-JQHSSLGASA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[N@@H+](C)[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932131 200178651 /nfs/dbraw/zinc/17/86/51/200178651.db2.gz OQNMWUQNELOTQO-JQHSSLGASA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[NH+](C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932131 200178653 /nfs/dbraw/zinc/17/86/53/200178653.db2.gz OQNMWUQNELOTQO-JQHSSLGASA-N 2 1 322.518 2.695 20 0 DFADMP CSC[C@@H](O)C[NH+](C)[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000187932131 200178654 /nfs/dbraw/zinc/17/86/54/200178654.db2.gz OQNMWUQNELOTQO-JQHSSLGASA-N 2 1 322.518 2.695 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3c[nH]nc3c2)C[C@H](C)O1 ZINC000237610016 202302514 /nfs/dbraw/zinc/30/25/14/202302514.db2.gz VPMOIJXIFKRMFX-GASCZTMLSA-N 2 1 316.449 2.542 20 0 DFADMP CCc1ccccc1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000188958337 200327492 /nfs/dbraw/zinc/32/74/92/200327492.db2.gz XXDRPWLFTFDXCY-INIZCTEOSA-N 2 1 304.478 2.774 20 0 DFADMP C[C@@H](NCC1([NH+](C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417356343 296013402 /nfs/dbraw/zinc/01/34/02/296013402.db2.gz PFVPUVGQLAZYEE-SJLPKXTDSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)C)CC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000417356343 296013404 /nfs/dbraw/zinc/01/34/04/296013404.db2.gz PFVPUVGQLAZYEE-SJLPKXTDSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)C)CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000417356343 296013406 /nfs/dbraw/zinc/01/34/06/296013406.db2.gz PFVPUVGQLAZYEE-SJLPKXTDSA-N 2 1 301.478 2.581 20 0 DFADMP [NH3+]C[C@@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1CCn1cccn1 ZINC000471835190 299309076 /nfs/dbraw/zinc/30/90/76/299309076.db2.gz UTUCBEBWTZCZPY-MOPGFXCFSA-N 2 1 312.461 2.555 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000471848529 299309737 /nfs/dbraw/zinc/30/97/37/299309737.db2.gz QPKWFXSZSIQJHE-HSALFYBXSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@H+]1C[C@@H]1CCC[NH2+]C1 ZINC000471848529 299309740 /nfs/dbraw/zinc/30/97/40/299309740.db2.gz QPKWFXSZSIQJHE-HSALFYBXSA-N 3 1 315.505 2.658 20 0 DFADMP C[C@@]1(O)C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000417392409 296016340 /nfs/dbraw/zinc/01/63/40/296016340.db2.gz BJJNMTBDNFIRNK-GOHLOMJBSA-N 2 1 300.446 2.685 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@@H](C(=O)N(C)c2ccccc2)C1 ZINC000281251069 216186369 /nfs/dbraw/zinc/18/63/69/216186369.db2.gz UZHRRCOCGZKDPR-QGZVFWFLSA-N 2 1 317.477 2.703 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@@H]1CCOC1 ZINC000471872718 299312050 /nfs/dbraw/zinc/31/20/50/299312050.db2.gz RALMXKHWTURQFE-FHWLQOOXSA-N 2 1 302.462 2.695 20 0 DFADMP Cn1cc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c(-c2ccccc2)n1 ZINC000193277958 201018474 /nfs/dbraw/zinc/01/84/74/201018474.db2.gz SJDKSECPDZVIBE-AYHJJNSGSA-N 2 1 310.445 2.802 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000600150473 398972385 /nfs/dbraw/zinc/97/23/85/398972385.db2.gz ILEKMCACUGWXDG-OAHLLOKOSA-N 2 1 321.465 2.724 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+]2CCC[C@@H]([NH+](C)C)CC2)c1C ZINC000600150473 398972388 /nfs/dbraw/zinc/97/23/88/398972388.db2.gz ILEKMCACUGWXDG-OAHLLOKOSA-N 2 1 321.465 2.724 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)CCC(=O)Nc1cccc(F)c1 ZINC000281453623 216310398 /nfs/dbraw/zinc/31/03/98/216310398.db2.gz UUBXWQIBYULSLG-UHFFFAOYSA-N 2 1 307.413 2.572 20 0 DFADMP C[N@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193611174 201085964 /nfs/dbraw/zinc/08/59/64/201085964.db2.gz YGUSEOMZEWVEKK-BETUJISGSA-N 2 1 300.324 2.579 20 0 DFADMP C[N@@H+]1C[C@@H]2C[NH+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193611174 201085969 /nfs/dbraw/zinc/08/59/69/201085969.db2.gz YGUSEOMZEWVEKK-BETUJISGSA-N 2 1 300.324 2.579 20 0 DFADMP C[NH+]1C[C@@H]2C[N@@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193611174 201085971 /nfs/dbraw/zinc/08/59/71/201085971.db2.gz YGUSEOMZEWVEKK-BETUJISGSA-N 2 1 300.324 2.579 20 0 DFADMP C[NH+]1C[C@@H]2C[N@H+](Cc3ccc(OC(F)(F)F)cc3)C[C@@H]2C1 ZINC000193611174 201085974 /nfs/dbraw/zinc/08/59/74/201085974.db2.gz YGUSEOMZEWVEKK-BETUJISGSA-N 2 1 300.324 2.579 20 0 DFADMP COc1cc(C[NH2+]CC2=CC[N@@H+](C)CC2)ccc1OC(F)F ZINC000271871339 209284267 /nfs/dbraw/zinc/28/42/67/209284267.db2.gz XTXVSEPZTJPUFW-UHFFFAOYSA-N 2 1 312.360 2.648 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@@H]2CCN(C)C[C@@H]2C)c1C ZINC000600167108 398983289 /nfs/dbraw/zinc/98/32/89/398983289.db2.gz OOBXZZORVPTRRH-BLLLJJGKSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000600167108 398983302 /nfs/dbraw/zinc/98/33/02/398983302.db2.gz OOBXZZORVPTRRH-BLLLJJGKSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)c1C ZINC000600167108 398983308 /nfs/dbraw/zinc/98/33/08/398983308.db2.gz OOBXZZORVPTRRH-BLLLJJGKSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)c1C ZINC000600167108 398983312 /nfs/dbraw/zinc/98/33/12/398983312.db2.gz OOBXZZORVPTRRH-BLLLJJGKSA-N 2 1 321.465 2.580 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)c1C ZINC000600167108 398983317 /nfs/dbraw/zinc/98/33/17/398983317.db2.gz OOBXZZORVPTRRH-BLLLJJGKSA-N 2 1 321.465 2.580 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)cc1Cl ZINC000600192581 398997988 /nfs/dbraw/zinc/99/79/88/398997988.db2.gz WDZKXKWOUOZXOO-CQSZACIVSA-N 2 1 324.852 2.948 20 0 DFADMP COC(=O)c1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)cc1Cl ZINC000600192581 398997990 /nfs/dbraw/zinc/99/79/90/398997990.db2.gz WDZKXKWOUOZXOO-CQSZACIVSA-N 2 1 324.852 2.948 20 0 DFADMP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@@H+](C)CC2)c(C)c1 ZINC000271842308 209259239 /nfs/dbraw/zinc/25/92/39/209259239.db2.gz GXKCYGIVTOLKJN-INIZCTEOSA-N 2 1 315.461 2.872 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642037 399006148 /nfs/dbraw/zinc/00/61/48/399006148.db2.gz CDMFOQBAIYSXEK-IRXDYDNUSA-N 2 1 309.498 2.537 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000621642337 399007750 /nfs/dbraw/zinc/00/77/50/399007750.db2.gz KVPNYCGMSXUXOS-IAGOWNOFSA-N 2 1 309.498 2.537 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCCNC(=O)CC[C@@H]2CCC[NH2+]C2)C1 ZINC000621642980 399007457 /nfs/dbraw/zinc/00/74/57/399007457.db2.gz YUKOIHXNXMRIMS-KSZLIROESA-N 2 1 323.525 2.641 20 0 DFADMP CCn1cncc1C[N@@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000417998539 296070316 /nfs/dbraw/zinc/07/03/16/296070316.db2.gz TXHATPXXOHUCIO-OAHLLOKOSA-N 2 1 313.449 2.734 20 0 DFADMP CCn1cncc1C[N@H+]1CC[C@@H](n2c(C)[nH+]c3c2CCCC3)C1 ZINC000417998539 296070318 /nfs/dbraw/zinc/07/03/18/296070318.db2.gz TXHATPXXOHUCIO-OAHLLOKOSA-N 2 1 313.449 2.734 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)c3nccs3)CC2)nc(C)[nH+]1 ZINC000091733834 193099294 /nfs/dbraw/zinc/09/92/94/193099294.db2.gz XGGRZCDLWUVVJH-GFCCVEGCSA-N 2 1 317.462 2.870 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000293031624 223360956 /nfs/dbraw/zinc/36/09/56/223360956.db2.gz PVGUKUIMMJPAKQ-VQIMIIECSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000293031624 223360958 /nfs/dbraw/zinc/36/09/58/223360958.db2.gz PVGUKUIMMJPAKQ-VQIMIIECSA-N 2 1 324.472 2.970 20 0 DFADMP COC(=O)[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH+]2C)[C@H]2CCCC[C@@H]12 ZINC000595734609 399062104 /nfs/dbraw/zinc/06/21/04/399062104.db2.gz UJJJNDBLVFFCPO-NXOAAHMSSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)[C@H]2CCCC[C@@H]12 ZINC000595734609 399062105 /nfs/dbraw/zinc/06/21/05/399062105.db2.gz UJJJNDBLVFFCPO-NXOAAHMSSA-N 2 1 308.466 2.524 20 0 DFADMP COC(=O)[C@@H]1CC[NH+](CC[C@@H]2CCC[N@H+]2C)[C@H]2CCCC[C@@H]12 ZINC000595734609 399062106 /nfs/dbraw/zinc/06/21/06/399062106.db2.gz UJJJNDBLVFFCPO-NXOAAHMSSA-N 2 1 308.466 2.524 20 0 DFADMP Cc1cccc(C)c1C[NH+]1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000606433748 399068065 /nfs/dbraw/zinc/06/80/65/399068065.db2.gz JBUOXGYFGVRYCK-GOSISDBHSA-N 2 1 301.478 2.515 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000058061128 399075319 /nfs/dbraw/zinc/07/53/19/399075319.db2.gz SXDGTGSHBWTVHE-SFHVURJKSA-N 2 1 312.461 2.751 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3)c2)C1 ZINC000058061128 399075326 /nfs/dbraw/zinc/07/53/26/399075326.db2.gz SXDGTGSHBWTVHE-SFHVURJKSA-N 2 1 312.461 2.751 20 0 DFADMP Cc1nc(C)c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000172339284 399075628 /nfs/dbraw/zinc/07/56/28/399075628.db2.gz INPYVHYGKOAREY-BETUJISGSA-N 2 1 311.495 2.739 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCCn3ccnc3)C1)CCCC2 ZINC000275250825 212224036 /nfs/dbraw/zinc/22/40/36/212224036.db2.gz GQKSUOKKOJHBPR-MRXNPFEDSA-N 2 1 313.449 2.604 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCCn3ccnc3)C1)CCCC2 ZINC000275250825 212224038 /nfs/dbraw/zinc/22/40/38/212224038.db2.gz GQKSUOKKOJHBPR-MRXNPFEDSA-N 2 1 313.449 2.604 20 0 DFADMP Cn1cnc2cc(C[NH+](C)CC[C@H]3CCCC[N@@H+]3C)ccc21 ZINC000271757499 209187604 /nfs/dbraw/zinc/18/76/04/209187604.db2.gz DBBKKXFXSFMFRW-MRXNPFEDSA-N 2 1 300.450 2.880 20 0 DFADMP Cn1cnc2cc(C[NH+](C)CC[C@H]3CCCC[N@H+]3C)ccc21 ZINC000271757499 209187609 /nfs/dbraw/zinc/18/76/09/209187609.db2.gz DBBKKXFXSFMFRW-MRXNPFEDSA-N 2 1 300.450 2.880 20 0 DFADMP Cc1ccnc(NC[C@H]2CCN(c3ccnc(C4CC4)n3)C2)c1 ZINC000599812119 399097032 /nfs/dbraw/zinc/09/70/32/399097032.db2.gz BHWMCAAFRVXPOA-CQSZACIVSA-N 2 1 309.417 2.996 20 0 DFADMP CC[C@H](C[NH+]1CCC[C@H]([N@H+](C)C[C@H](CC)OC)CC1)OC ZINC000419247566 296129928 /nfs/dbraw/zinc/12/99/28/296129928.db2.gz XFZGZFCMKDCAEY-YESZJQIVSA-N 2 1 300.487 2.623 20 0 DFADMP CC[C@H](C[N@H+]1CCC[C@H]([NH+](C)C[C@H](CC)OC)CC1)OC ZINC000419247566 296129930 /nfs/dbraw/zinc/12/99/30/296129930.db2.gz XFZGZFCMKDCAEY-YESZJQIVSA-N 2 1 300.487 2.623 20 0 DFADMP CC[C@H](C[N@@H+]1CCC[C@H]([NH+](C)C[C@H](CC)OC)CC1)OC ZINC000419247566 296129931 /nfs/dbraw/zinc/12/99/31/296129931.db2.gz XFZGZFCMKDCAEY-YESZJQIVSA-N 2 1 300.487 2.623 20 0 DFADMP CCOc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)cc1OC ZINC000093089311 193202480 /nfs/dbraw/zinc/20/24/80/193202480.db2.gz AXNWJTZPJNVARQ-UHFFFAOYSA-N 2 1 306.450 2.868 20 0 DFADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340196437 284158515 /nfs/dbraw/zinc/15/85/15/284158515.db2.gz HOJANYLGAIHULG-RYQLBKOJSA-N 2 1 317.477 2.716 20 0 DFADMP CC[C@H](C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340196437 284158516 /nfs/dbraw/zinc/15/85/16/284158516.db2.gz HOJANYLGAIHULG-RYQLBKOJSA-N 2 1 317.477 2.716 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)C[NH2+]CC3CC3)cc2)C1 ZINC000262653750 203366701 /nfs/dbraw/zinc/36/67/01/203366701.db2.gz BQMQUJMZZVXFOH-HNNXBMFYSA-N 2 1 315.461 2.857 20 0 DFADMP COc1ccc(COCC[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901564 399124513 /nfs/dbraw/zinc/12/45/13/399124513.db2.gz ZWGONBQMWUOXHF-SFHVURJKSA-N 2 1 318.461 2.630 20 0 DFADMP COc1ccc(COCC[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000606901564 399124518 /nfs/dbraw/zinc/12/45/18/399124518.db2.gz ZWGONBQMWUOXHF-SFHVURJKSA-N 2 1 318.461 2.630 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000093638554 193278485 /nfs/dbraw/zinc/27/84/85/193278485.db2.gz YMBXGVQHSQSWHW-PBHICJAKSA-N 2 1 306.450 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000093638554 193278487 /nfs/dbraw/zinc/27/84/87/193278487.db2.gz YMBXGVQHSQSWHW-PBHICJAKSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000093638554 193278488 /nfs/dbraw/zinc/27/84/88/193278488.db2.gz YMBXGVQHSQSWHW-PBHICJAKSA-N 2 1 306.450 2.866 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000093638554 193278490 /nfs/dbraw/zinc/27/84/90/193278490.db2.gz YMBXGVQHSQSWHW-PBHICJAKSA-N 2 1 306.450 2.866 20 0 DFADMP COC(=O)c1cc(C[N@@H+](CCC[NH3+])CC2CCCC2)cs1 ZINC000595895809 399126345 /nfs/dbraw/zinc/12/63/45/399126345.db2.gz VWUYIWSJQYEQAF-UHFFFAOYSA-N 2 1 310.463 2.876 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000093693747 193291152 /nfs/dbraw/zinc/29/11/52/193291152.db2.gz IZEMRUXGEQIMKB-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](Cc2ccc(OCCOC)cc2)C1 ZINC000093693747 193291154 /nfs/dbraw/zinc/29/11/54/193291154.db2.gz IZEMRUXGEQIMKB-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCCOC)C1 ZINC000093742363 193299939 /nfs/dbraw/zinc/29/99/39/193299939.db2.gz KTRQSCBYLHCBSM-KRWDZBQOSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2OCCOC)C1 ZINC000093742363 193299942 /nfs/dbraw/zinc/29/99/42/193299942.db2.gz KTRQSCBYLHCBSM-KRWDZBQOSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccccc2OCCOC)C1 ZINC000093742363 193299944 /nfs/dbraw/zinc/29/99/44/193299944.db2.gz KTRQSCBYLHCBSM-KRWDZBQOSA-N 2 1 320.477 2.876 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccccc2OCCOC)C1 ZINC000093742363 193299946 /nfs/dbraw/zinc/29/99/46/193299946.db2.gz KTRQSCBYLHCBSM-KRWDZBQOSA-N 2 1 320.477 2.876 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660019 193284727 /nfs/dbraw/zinc/28/47/27/193284727.db2.gz UEMOQQLYKYWCCN-GOSISDBHSA-N 2 1 303.450 2.951 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](C)CC[C@H]2CCCC[NH+]2C)cc1 ZINC000093660019 193284729 /nfs/dbraw/zinc/28/47/29/193284729.db2.gz UEMOQQLYKYWCCN-GOSISDBHSA-N 2 1 303.450 2.951 20 0 DFADMP CC(=O)Nc1ccc(C[NH+](C)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000093660019 193284730 /nfs/dbraw/zinc/28/47/30/193284730.db2.gz UEMOQQLYKYWCCN-GOSISDBHSA-N 2 1 303.450 2.951 20 0 DFADMP CC(=O)Nc1ccc(C[NH+](C)CC[C@H]2CCCC[N@H+]2C)cc1 ZINC000093660019 193284732 /nfs/dbraw/zinc/28/47/32/193284732.db2.gz UEMOQQLYKYWCCN-GOSISDBHSA-N 2 1 303.450 2.951 20 0 DFADMP C[N@@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000093994854 193336658 /nfs/dbraw/zinc/33/66/58/193336658.db2.gz QTHQNYRDEVKXNZ-LLVKDONJSA-N 2 1 315.230 2.972 20 0 DFADMP C[N@H+](Cc1cc(F)cc(Br)c1)C[C@@H]1CC[NH+](C)C1 ZINC000093994854 193336659 /nfs/dbraw/zinc/33/66/59/193336659.db2.gz QTHQNYRDEVKXNZ-LLVKDONJSA-N 2 1 315.230 2.972 20 0 DFADMP C[NH+](Cc1cc(F)cc(Br)c1)C[C@@H]1CC[N@H+](C)C1 ZINC000093994854 193336660 /nfs/dbraw/zinc/33/66/60/193336660.db2.gz QTHQNYRDEVKXNZ-LLVKDONJSA-N 2 1 315.230 2.972 20 0 DFADMP C[NH+](Cc1cc(F)cc(Br)c1)C[C@@H]1CC[N@@H+](C)C1 ZINC000093994854 193336661 /nfs/dbraw/zinc/33/66/61/193336661.db2.gz QTHQNYRDEVKXNZ-LLVKDONJSA-N 2 1 315.230 2.972 20 0 DFADMP [NH3+]CCCOC1CC[NH+](Cc2nc3ccccc3s2)CC1 ZINC000094071973 193343636 /nfs/dbraw/zinc/34/36/36/193343636.db2.gz IODUOPZJFMPOFP-UHFFFAOYSA-N 2 1 305.447 2.626 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCC2)C[C@@H]1c1ccccc1 ZINC000340386189 284179540 /nfs/dbraw/zinc/17/95/40/284179540.db2.gz BSXIJBVNQFMROD-GBESFXJTSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H](CO)C2CCCC2)C[C@@H]1c1ccccc1 ZINC000340386189 284179541 /nfs/dbraw/zinc/17/95/41/284179541.db2.gz BSXIJBVNQFMROD-GBESFXJTSA-N 2 1 302.462 2.963 20 0 DFADMP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340401478 284180977 /nfs/dbraw/zinc/18/09/77/284180977.db2.gz RAMAZGGGXZQRCM-HOTGVXAUSA-N 2 1 316.474 2.814 20 0 DFADMP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)s1 ZINC000340401478 284180979 /nfs/dbraw/zinc/18/09/79/284180979.db2.gz RAMAZGGGXZQRCM-HOTGVXAUSA-N 2 1 316.474 2.814 20 0 DFADMP C[C@@H](C(=O)NCCC[NH2+]C1CCCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000419909651 296151209 /nfs/dbraw/zinc/15/12/09/296151209.db2.gz MHMBIRKPTHAOIQ-XHSDSOJGSA-N 2 1 309.498 2.676 20 0 DFADMP Brc1ccc2[nH+]ccc(NCC[C@H]3CC[NH2+]C3)c2c1 ZINC000420222331 296163300 /nfs/dbraw/zinc/16/33/00/296163300.db2.gz RUXMHCJHTUHEJC-LLVKDONJSA-N 2 1 320.234 2.831 20 0 DFADMP Cc1cccc(NC(=O)C[NH+]2CCC(C[NH+](C)C)CC2)c1C ZINC000341195613 284248224 /nfs/dbraw/zinc/24/82/24/284248224.db2.gz VRSSEAKVXBZKSH-UHFFFAOYSA-N 2 1 303.450 2.516 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1CN ZINC000420290534 296169790 /nfs/dbraw/zinc/16/97/90/296169790.db2.gz LYVQWPZWFQWGBT-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CCC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1C[NH3+] ZINC000420290534 296169791 /nfs/dbraw/zinc/16/97/91/296169791.db2.gz LYVQWPZWFQWGBT-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H]1C[NH3+] ZINC000420290534 296169792 /nfs/dbraw/zinc/16/97/92/296169792.db2.gz LYVQWPZWFQWGBT-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420295339 296170454 /nfs/dbraw/zinc/17/04/54/296170454.db2.gz AAEOFYGCVIXAAO-AWEZNQCLSA-N 2 1 307.869 2.771 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+](Cc2nc(-c3ccc(F)c(F)c3)no2)CC1 ZINC000420299188 296171225 /nfs/dbraw/zinc/17/12/25/296171225.db2.gz TWXJFDHLMAWEOI-JTQLQIEISA-N 2 1 322.359 2.574 20 0 DFADMP c1cc2c(c([C@@H]3CCC[N@@H+]3CC[C@H]3CCC[NH2+]C3)c1)OCCO2 ZINC000420298212 296171227 /nfs/dbraw/zinc/17/12/27/296171227.db2.gz HAWZTTPVYWVLMS-WBVHZDCISA-N 2 1 316.445 2.984 20 0 DFADMP C[C@@H](c1ccccc1)[N@@H+](CCN1CC[NH2+]CC1)CC1CCC1 ZINC000420299885 296171230 /nfs/dbraw/zinc/17/12/30/296171230.db2.gz JQJWRQKXXPYKIR-KRWDZBQOSA-N 2 1 301.478 2.755 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCC[NH2+]C2)C[C@@H](c2ccc(F)cc2)O1 ZINC000420297184 296170873 /nfs/dbraw/zinc/17/08/73/296170873.db2.gz FRUPGCDTFINWRE-VKJFTORMSA-N 2 1 306.425 2.977 20 0 DFADMP CC(C)COCC[N@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420302809 296171670 /nfs/dbraw/zinc/17/16/70/296171670.db2.gz CBKNEGPIUZINQZ-GOSISDBHSA-N 2 1 305.466 2.698 20 0 DFADMP CC(C)COCC[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH2+]CC1 ZINC000420302809 296171671 /nfs/dbraw/zinc/17/16/71/296171671.db2.gz CBKNEGPIUZINQZ-GOSISDBHSA-N 2 1 305.466 2.698 20 0 DFADMP CC(C)[N@H+](C[C@@H](C)[NH3+])C[C@H](O)COc1cccc2ccccc21 ZINC000420302986 296172101 /nfs/dbraw/zinc/17/21/01/296172101.db2.gz KEHONDIVGLGETH-WBVHZDCISA-N 2 1 316.445 2.637 20 0 DFADMP CC(C)[N@@H+](C[C@@H](C)[NH3+])C[C@H](O)COc1cccc2ccccc21 ZINC000420302986 296172102 /nfs/dbraw/zinc/17/21/02/296172102.db2.gz KEHONDIVGLGETH-WBVHZDCISA-N 2 1 316.445 2.637 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420305159 296172236 /nfs/dbraw/zinc/17/22/36/296172236.db2.gz JUCJFFYVACPKHY-RYUDHWBXSA-N 2 1 318.442 2.857 20 0 DFADMP COC(=O)c1sc2ccccc2c1C[N@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000420305159 296172238 /nfs/dbraw/zinc/17/22/38/296172238.db2.gz JUCJFFYVACPKHY-RYUDHWBXSA-N 2 1 318.442 2.857 20 0 DFADMP c1ccc2c(c1)cccc2C[NH+]1CCN(CC[C@H]2CC[NH2+]C2)CC1 ZINC000420300785 296171813 /nfs/dbraw/zinc/17/18/13/296171813.db2.gz KNAKNRLXOHPXTG-GOSISDBHSA-N 2 1 323.484 2.957 20 0 DFADMP C[C@H]1c2cc3c(cc2C2(CCCC2)C[N@@H+]1CCC[NH3+])OCCO3 ZINC000420303611 296172287 /nfs/dbraw/zinc/17/22/87/296172287.db2.gz KUIRXWHYLSNYDA-AWEZNQCLSA-N 2 1 316.445 2.995 20 0 DFADMP CCC[N@@H+](CC[C@H]1CCC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420304215 296172311 /nfs/dbraw/zinc/17/23/11/296172311.db2.gz LGMVKKCVIBTQKE-IAGOWNOFSA-N 2 1 318.461 2.928 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420307362 296172445 /nfs/dbraw/zinc/17/24/45/296172445.db2.gz LZIQPRYVXVBUBD-ONIAQPFYSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1 ZINC000420307362 296172446 /nfs/dbraw/zinc/17/24/46/296172446.db2.gz LZIQPRYVXVBUBD-ONIAQPFYSA-N 2 1 315.461 2.690 20 0 DFADMP OCC[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCc2ccccc21 ZINC000420306586 296172448 /nfs/dbraw/zinc/17/24/48/296172448.db2.gz QLIBSLBCGLXTLK-VQIMIIECSA-N 2 1 302.462 2.748 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(c2ccccc2)C1=O ZINC000420306658 296172506 /nfs/dbraw/zinc/17/25/06/296172506.db2.gz QUJCVHRCIQIOBC-SJLPKXTDSA-N 2 1 315.461 2.504 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420307360 296172683 /nfs/dbraw/zinc/17/26/83/296172683.db2.gz LZIQPRYVXVBUBD-CWLKWCNXSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)c1 ZINC000420307360 296172684 /nfs/dbraw/zinc/17/26/84/296172684.db2.gz LZIQPRYVXVBUBD-CWLKWCNXSA-N 2 1 315.461 2.690 20 0 DFADMP c1cc2c(c([C@H]3CCC[N@@H+]3CC[C@@H]3CC[NH2+]C3)c1)OCCO2 ZINC000420305931 296172714 /nfs/dbraw/zinc/17/27/14/296172714.db2.gz QDSFFDLCLOSFSW-GOEBONIOSA-N 2 1 302.418 2.594 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000420307612 296173100 /nfs/dbraw/zinc/17/31/00/296173100.db2.gz BVVYNXCESDMPCH-MAUKXSAKSA-N 2 1 314.433 2.688 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](CCOc3ccc(F)cc3Cl)C[C@H]21 ZINC000420310766 296173187 /nfs/dbraw/zinc/17/31/87/296173187.db2.gz QBTROGJMJIEBSS-UXIGCNINSA-N 2 1 312.816 2.917 20 0 DFADMP C[N@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc(C(F)(F)F)cs1 ZINC000420310409 296173377 /nfs/dbraw/zinc/17/33/77/296173377.db2.gz UWYRAAWFHGKMBJ-SNVBAGLBSA-N 2 1 307.385 2.983 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1nc(C(F)(F)F)cs1 ZINC000420310409 296173378 /nfs/dbraw/zinc/17/33/78/296173378.db2.gz UWYRAAWFHGKMBJ-SNVBAGLBSA-N 2 1 307.385 2.983 20 0 DFADMP c1c2ccccc2[nH]c1[C@@H]1CCCC[N@@H+]1CCN1CC[NH2+]CC1 ZINC000420310969 296173481 /nfs/dbraw/zinc/17/34/81/296173481.db2.gz VORTXGUVIDMAJL-IBGZPJMESA-N 2 1 312.461 2.600 20 0 DFADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)C[C@H]1COc2ccccc2O1 ZINC000420315288 296173844 /nfs/dbraw/zinc/17/38/44/296173844.db2.gz LNLPYQLZWAKVKS-HOTGVXAUSA-N 2 1 304.434 2.538 20 0 DFADMP CC[N@@H+](CC[C@H]1CC[NH2+]C1)CC1CCN(c2ccccn2)CC1 ZINC000420316682 296173965 /nfs/dbraw/zinc/17/39/65/296173965.db2.gz MCALBVXZCZJBQC-QGZVFWFLSA-N 2 1 316.493 2.620 20 0 DFADMP C[NH+](C)[C@@]1(CNc2cc[nH+]cc2Br)CCSC1 ZINC000274893615 212014472 /nfs/dbraw/zinc/01/44/72/212014472.db2.gz JTYZJDADAAMIHG-GFCCVEGCSA-N 2 1 316.268 2.693 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420322492 296174776 /nfs/dbraw/zinc/17/47/76/296174776.db2.gz SMIPGNPRLINBEA-STQMWFEESA-N 2 1 316.401 2.779 20 0 DFADMP CCOC(=O)c1oc2ccccc2c1C[N@H+]1C[C@H](C[NH3+])C[C@@H]1C ZINC000420322492 296174777 /nfs/dbraw/zinc/17/47/77/296174777.db2.gz SMIPGNPRLINBEA-STQMWFEESA-N 2 1 316.401 2.779 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@@H+](C)C2Cc3ccccc3C2)cc1 ZINC000420317784 296174084 /nfs/dbraw/zinc/17/40/84/296174084.db2.gz NYOZERUZSJLECY-SFHVURJKSA-N 2 1 310.441 2.837 20 0 DFADMP CCC[N@@H+](CC[C@H]1CC[NH2+]C1)C[C@@H]1COc2ccccc2O1 ZINC000420315289 296174255 /nfs/dbraw/zinc/17/42/55/296174255.db2.gz LNLPYQLZWAKVKS-HZPDHXFCSA-N 2 1 304.434 2.538 20 0 DFADMP C[C@H](c1ccccc1Cl)[N@@H+](CCN1CC[NH2+]CC1)C1CC1 ZINC000420321299 296174940 /nfs/dbraw/zinc/17/49/40/296174940.db2.gz REJFVXDMIVDWPL-CQSZACIVSA-N 2 1 307.869 2.771 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1 ZINC000420322844 296174959 /nfs/dbraw/zinc/17/49/59/296174959.db2.gz SNMZYEMWFCLUOE-ACRUOGEOSA-N 2 1 324.468 2.624 20 0 DFADMP COCc1cccc(OCC2(C[N@H+](C)C3CC([NH3+])C3)CCC2)c1 ZINC000420323149 296175363 /nfs/dbraw/zinc/17/53/63/296175363.db2.gz AVNJFNNOONQTHX-UHFFFAOYSA-N 2 1 318.461 2.804 20 0 DFADMP COCc1cccc(OCC2(C[N@@H+](C)C3CC([NH3+])C3)CCC2)c1 ZINC000420323149 296175364 /nfs/dbraw/zinc/17/53/64/296175364.db2.gz AVNJFNNOONQTHX-UHFFFAOYSA-N 2 1 318.461 2.804 20 0 DFADMP C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000420325740 296175574 /nfs/dbraw/zinc/17/55/74/296175574.db2.gz BTGDUYBLLRTDIG-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@H](C[NH3+])C1 ZINC000420325740 296175576 /nfs/dbraw/zinc/17/55/76/296175576.db2.gz BTGDUYBLLRTDIG-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP c1ccc(COCCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420321614 296174871 /nfs/dbraw/zinc/17/48/71/296174871.db2.gz DATHCDJWEDKJBK-RTBURBONSA-N 2 1 302.462 2.915 20 0 DFADMP C(C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000420325392 296175675 /nfs/dbraw/zinc/17/56/75/296175675.db2.gz WAFJNYAIXYAYCA-JKSUJKDBSA-N 2 1 317.481 2.531 20 0 DFADMP C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000420325745 296175860 /nfs/dbraw/zinc/17/58/60/296175860.db2.gz BTGDUYBLLRTDIG-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@H]1CC[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)[C@@H](C[NH3+])C1 ZINC000420325745 296175861 /nfs/dbraw/zinc/17/58/61/296175861.db2.gz BTGDUYBLLRTDIG-SWLSCSKDSA-N 2 1 309.841 2.728 20 0 DFADMP C[N@@H+](Cc1c(-c2ccccc2)nc2ccccn21)C1CC([NH3+])C1 ZINC000420327464 296175978 /nfs/dbraw/zinc/17/59/78/296175978.db2.gz GKWVSBHCFFVIGW-UHFFFAOYSA-N 2 1 306.413 2.923 20 0 DFADMP Cn1cnc2cc(C[N@H+](C)CC[C@H]3CCCC[NH+]3C)ccc21 ZINC000271757499 209187597 /nfs/dbraw/zinc/18/75/97/209187597.db2.gz DBBKKXFXSFMFRW-MRXNPFEDSA-N 2 1 300.450 2.880 20 0 DFADMP Cn1cnc2cc(C[N@@H+](C)CC[C@H]3CCCC[NH+]3C)ccc21 ZINC000271757499 209187600 /nfs/dbraw/zinc/18/76/00/209187600.db2.gz DBBKKXFXSFMFRW-MRXNPFEDSA-N 2 1 300.450 2.880 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000420342392 296177761 /nfs/dbraw/zinc/17/77/61/296177761.db2.gz QTAUGAZKGHMAJZ-BHYGNILZSA-N 2 1 315.461 2.507 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)cc1 ZINC000420343908 296177847 /nfs/dbraw/zinc/17/78/47/296177847.db2.gz RRIGSBAQUKIVKB-IRXDYDNUSA-N 2 1 315.461 2.509 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420344980 296178039 /nfs/dbraw/zinc/17/80/39/296178039.db2.gz VJRVAFLILJDPFA-IAGOWNOFSA-N 2 1 318.461 2.786 20 0 DFADMP C[C@@H](c1ncc(C(C)(C)C)o1)[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000420345176 296178117 /nfs/dbraw/zinc/17/81/17/296178117.db2.gz ZFSKGGLYHYIYEV-BJJXKVORSA-N 2 1 321.465 2.861 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)c1C ZINC000420346949 296178490 /nfs/dbraw/zinc/17/84/90/296178490.db2.gz ZMVASFRSLAUKMK-SJORKVTESA-N 2 1 315.461 2.563 20 0 DFADMP Fc1ccc(C[N@@H+](CC[C@@H]2CC[NH2+]C2)C2CCOCC2)cc1 ZINC000420360910 296180000 /nfs/dbraw/zinc/18/00/00/296180000.db2.gz MNHLFLDCRXZEHH-HNNXBMFYSA-N 2 1 306.425 2.806 20 0 DFADMP [NH3+]CCOCC[N@@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000420362038 296180356 /nfs/dbraw/zinc/18/03/56/296180356.db2.gz ACAAQIIYPPLSGZ-JTQLQIEISA-N 2 1 319.268 2.623 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCC[C@H]1c1ccc(Br)s1 ZINC000420362038 296180357 /nfs/dbraw/zinc/18/03/57/296180357.db2.gz ACAAQIIYPPLSGZ-JTQLQIEISA-N 2 1 319.268 2.623 20 0 DFADMP COCCOCC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000282591087 217110237 /nfs/dbraw/zinc/11/02/37/217110237.db2.gz WZKWXHPEFSDWLC-SFHVURJKSA-N 2 1 320.477 2.540 20 0 DFADMP COCCOCC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000282591087 217110241 /nfs/dbraw/zinc/11/02/41/217110241.db2.gz WZKWXHPEFSDWLC-SFHVURJKSA-N 2 1 320.477 2.540 20 0 DFADMP CC[C@H]1C[N@@H+](CC[C@@H]2CC[NH2+]C2)CCN1Cc1ccccc1 ZINC000420377917 296182954 /nfs/dbraw/zinc/18/29/54/296182954.db2.gz SVYQAZSRICWKGP-HKUYNNGSSA-N 2 1 301.478 2.582 20 0 DFADMP C[NH2+]CCC[N@@H+](C)CCC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000420383170 296183857 /nfs/dbraw/zinc/18/38/57/296183857.db2.gz BQLPZMUBFCJRAF-UHFFFAOYSA-N 2 1 317.355 2.575 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CC(=O)NCCCC3CCCCC3)C[C@H]21 ZINC000342088566 284323688 /nfs/dbraw/zinc/32/36/88/284323688.db2.gz RFISHTQDZNOXTJ-RCCFBDPRSA-N 2 1 321.509 2.522 20 0 DFADMP CSc1ccccc1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000420394236 296185364 /nfs/dbraw/zinc/18/53/64/296185364.db2.gz ZJRCEFWGRGUQOL-CVEARBPZSA-N 2 1 318.486 2.609 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)nc1 ZINC000271717753 209153025 /nfs/dbraw/zinc/15/30/25/209153025.db2.gz CQBFSUFXTNPMHF-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000282765144 217235324 /nfs/dbraw/zinc/23/53/24/217235324.db2.gz ZWEAGBKJFCHGRJ-BTHPGYMESA-N 2 1 324.472 2.772 20 0 DFADMP C[C@H]1CC[N@@H+](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000614255116 399190244 /nfs/dbraw/zinc/19/02/44/399190244.db2.gz OGTCPKFEZFQKRS-AWEZNQCLSA-N 2 1 310.401 2.527 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)CCOC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000080967798 399196609 /nfs/dbraw/zinc/19/66/09/399196609.db2.gz YAOZOLGCHRAFNG-UHFFFAOYSA-N 2 1 320.481 2.809 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)CCOC(C)(C)C)CC2)nc(C)[nH+]1 ZINC000080967798 399196614 /nfs/dbraw/zinc/19/66/14/399196614.db2.gz YAOZOLGCHRAFNG-UHFFFAOYSA-N 2 1 320.481 2.809 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665521 399202820 /nfs/dbraw/zinc/20/28/20/399202820.db2.gz JXPYTFVKYVAFRK-LSDHHAIUSA-N 2 1 309.498 2.676 20 0 DFADMP C[N@H+](CCCO)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000266393872 205313903 /nfs/dbraw/zinc/31/39/03/205313903.db2.gz OLCDQAFVVDQJPM-UHFFFAOYSA-N 2 1 305.447 2.579 20 0 DFADMP C[N@@H+](CCCO)C1CCN(c2cc[nH+]c3ccsc32)CC1 ZINC000266393872 205313907 /nfs/dbraw/zinc/31/39/07/205313907.db2.gz OLCDQAFVVDQJPM-UHFFFAOYSA-N 2 1 305.447 2.579 20 0 DFADMP CC[N@@H+](CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C)[C@@H](C)C(C)C ZINC000157860532 284398872 /nfs/dbraw/zinc/39/88/72/284398872.db2.gz RJYKGRBRXNDAJI-WMZOPIPTSA-N 2 1 319.493 2.772 20 0 DFADMP Cc1ncsc1C[NH2+][C@H]1CCCN(c2cc(C)[nH+]c(C)n2)C1 ZINC000608056197 399228631 /nfs/dbraw/zinc/22/86/31/399228631.db2.gz FLMNZGMCTXMVKF-AWEZNQCLSA-N 2 1 317.462 2.617 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000420921738 296212517 /nfs/dbraw/zinc/21/25/17/296212517.db2.gz MIUKPFKBJRTJPG-RBUKOAKNSA-N 2 1 300.446 2.893 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1CC[C@@H]2CCC[C@H]21 ZINC000420921738 296212518 /nfs/dbraw/zinc/21/25/18/296212518.db2.gz MIUKPFKBJRTJPG-RBUKOAKNSA-N 2 1 300.446 2.893 20 0 DFADMP Cn1cc(Cl)c(CN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)n1 ZINC000420933988 296214481 /nfs/dbraw/zinc/21/44/81/296214481.db2.gz JHNYCFLDLWLUPF-LRDDRELGSA-N 2 1 308.857 2.522 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000267457576 206082277 /nfs/dbraw/zinc/08/22/77/206082277.db2.gz PXDHCFLHKFZSDJ-OAUYIBNBSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000267457576 206082279 /nfs/dbraw/zinc/08/22/79/206082279.db2.gz PXDHCFLHKFZSDJ-OAUYIBNBSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000267457576 206082283 /nfs/dbraw/zinc/08/22/83/206082283.db2.gz PXDHCFLHKFZSDJ-OAUYIBNBSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(F)cc2F)[C@H](C)C1 ZINC000267457576 206082285 /nfs/dbraw/zinc/08/22/85/206082285.db2.gz PXDHCFLHKFZSDJ-OAUYIBNBSA-N 2 1 312.404 2.660 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)[C@H]1CCCO1 ZINC000420939322 296215330 /nfs/dbraw/zinc/21/53/30/296215330.db2.gz MYGRPVLLEMJTDA-RTBURBONSA-N 2 1 318.461 2.566 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@H+]([C@@H](C)c3ccccn3)CC2)CC1 ZINC000420977388 296220050 /nfs/dbraw/zinc/22/00/50/296220050.db2.gz HYBHSGYAGJVZIV-KRWDZBQOSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[N@@H+](CC[C@@H]2CCC[NH+]2C)C1 ZINC000421028422 296228221 /nfs/dbraw/zinc/22/82/21/296228221.db2.gz UOLHOBGZEVGAHG-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](CC[C@@H]2CCC[N@@H+]2C)C1 ZINC000421028422 296228222 /nfs/dbraw/zinc/22/82/22/296228222.db2.gz UOLHOBGZEVGAHG-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[C@@H](C(=O)OC(C)(C)C)C[NH+](CC[C@@H]2CCC[N@H+]2C)C1 ZINC000421028422 296228224 /nfs/dbraw/zinc/22/82/24/296228224.db2.gz UOLHOBGZEVGAHG-OAGGEKHMSA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H](c1cccc(F)c1)[NH+]1CCN(CC[NH+]2CCCCC2)CC1 ZINC000091980607 296233235 /nfs/dbraw/zinc/23/32/35/296233235.db2.gz SBQBTVMDGGLZMG-KRWDZBQOSA-N 2 1 319.468 2.990 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000181591108 296243752 /nfs/dbraw/zinc/24/37/52/296243752.db2.gz NILDMHVDBZYGHQ-BXWFABGCSA-N 2 1 316.493 2.679 20 0 DFADMP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000181591108 296243753 /nfs/dbraw/zinc/24/37/53/296243753.db2.gz NILDMHVDBZYGHQ-BXWFABGCSA-N 2 1 316.493 2.679 20 0 DFADMP c1ccc2c(c1)OC[C@H](C[N@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)O2 ZINC000608500325 399272324 /nfs/dbraw/zinc/27/23/24/399272324.db2.gz FUNNZOZJNXKEEB-IRXDYDNUSA-N 2 1 316.445 2.634 20 0 DFADMP c1ccc2c(c1)OC[C@H](C[N@@H+]1CC[C@@H](C[NH+]3CCCCC3)C1)O2 ZINC000608500325 399272326 /nfs/dbraw/zinc/27/23/26/399272326.db2.gz FUNNZOZJNXKEEB-IRXDYDNUSA-N 2 1 316.445 2.634 20 0 DFADMP COC(=O)CC[N@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000614907826 399280413 /nfs/dbraw/zinc/28/04/13/399280413.db2.gz SRNTYAUZEHRVDD-UHFFFAOYSA-N 2 1 318.461 2.928 20 0 DFADMP COC(=O)CC[N@@H+](CCC[NH+]1CCCCC1)Cc1ccccc1 ZINC000614907826 399280414 /nfs/dbraw/zinc/28/04/14/399280414.db2.gz SRNTYAUZEHRVDD-UHFFFAOYSA-N 2 1 318.461 2.928 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC2(C1)CC[NH+](C)CC2)C1CCCCC1 ZINC000614965176 399286405 /nfs/dbraw/zinc/28/64/05/399286405.db2.gz OQPYKCTYUOYQEI-UHFFFAOYSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1nn(-c2cccc(C)c2)cc1C[NH2+]CCc1c[nH+]cn1C ZINC000623085917 399324134 /nfs/dbraw/zinc/32/41/34/399324134.db2.gz NDSLGPAFEOLRKG-UHFFFAOYSA-N 2 1 309.417 2.555 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cc1 ZINC000615510754 399345374 /nfs/dbraw/zinc/34/53/74/399345374.db2.gz VQCWMFMDDMFCQT-UHFFFAOYSA-N 2 1 317.477 2.552 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000610250352 399351079 /nfs/dbraw/zinc/35/10/79/399351079.db2.gz VGNUGBNDCCQLNM-MRXNPFEDSA-N 2 1 323.431 2.565 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@@H+](Cc3ccc(F)c(F)c3)C2)CC1 ZINC000610250352 399351083 /nfs/dbraw/zinc/35/10/83/399351083.db2.gz VGNUGBNDCCQLNM-MRXNPFEDSA-N 2 1 323.431 2.565 20 0 DFADMP CC[NH+]1CCC(NC(=O)C[N@@H+](CC2CCCCC2)C2CC2)CC1 ZINC000052244504 425883916 /nfs/dbraw/zinc/88/39/16/425883916.db2.gz JXIIFOMNVSYQPQ-UHFFFAOYSA-N 2 1 321.509 2.632 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+]CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC000284883075 218220296 /nfs/dbraw/zinc/22/02/96/218220296.db2.gz VVLQAEGUPOEXQU-WMZOPIPTSA-N 2 1 306.450 2.847 20 0 DFADMP CCOc1ccc([C@H](COC)[NH2+]CC[C@@H]2CCC[N@H+]2C)cc1 ZINC000284883075 218220300 /nfs/dbraw/zinc/22/03/00/218220300.db2.gz VVLQAEGUPOEXQU-WMZOPIPTSA-N 2 1 306.450 2.847 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC000623341687 399366547 /nfs/dbraw/zinc/36/65/47/399366547.db2.gz NPZMJUWJJZOYPJ-CQSZACIVSA-N 2 1 322.449 2.675 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC000623341687 399366551 /nfs/dbraw/zinc/36/65/51/399366551.db2.gz NPZMJUWJJZOYPJ-CQSZACIVSA-N 2 1 322.449 2.675 20 0 DFADMP C[NH+](C)[C@H](CN[C@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623335823 399364591 /nfs/dbraw/zinc/36/45/91/399364591.db2.gz GLTLEEACZNAIRF-ROUUACIJSA-N 2 1 303.494 2.622 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623338922 399365763 /nfs/dbraw/zinc/36/57/63/399365763.db2.gz AXHBHFCCDCPVJK-HIFRSBDPSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@@H]([NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1)c1ccc2c(c1)OCCO2 ZINC000623338922 399365764 /nfs/dbraw/zinc/36/57/64/399365764.db2.gz AXHBHFCCDCPVJK-HIFRSBDPSA-N 2 1 304.434 2.981 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)C1 ZINC000623361744 399372985 /nfs/dbraw/zinc/37/29/85/399372985.db2.gz NIDUTTGOFYXXGZ-HNNXBMFYSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cccc(N2CC[C@@H]([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623399225 399380310 /nfs/dbraw/zinc/38/03/10/399380310.db2.gz BRGNQXDYPKMQLG-HZPDHXFCSA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CC[C@H]([NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)C2)c1 ZINC000623399224 399380456 /nfs/dbraw/zinc/38/04/56/399380456.db2.gz BRGNQXDYPKMQLG-HOTGVXAUSA-N 2 1 317.477 2.736 20 0 DFADMP COC[C@H](C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1)OC ZINC000285148840 218309898 /nfs/dbraw/zinc/30/98/98/218309898.db2.gz MCHLOGNBHMTTOD-ACBHZAAOSA-N 2 1 320.477 2.681 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH2+]CC[C@@H]([NH3+])Cc2ccccc2)c1 ZINC000602023010 399385766 /nfs/dbraw/zinc/38/57/66/399385766.db2.gz VRRKGGXYWOBMOQ-CZUORRHYSA-N 2 1 316.401 2.677 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]Cc2cccc3n[nH]cc32)CC1 ZINC000623438657 399390557 /nfs/dbraw/zinc/39/05/57/399390557.db2.gz HAISRCPRSOZZGO-UHFFFAOYSA-N 2 1 316.449 2.542 20 0 DFADMP CCC[NH+]1CCC([N@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000109786454 194285424 /nfs/dbraw/zinc/28/54/24/194285424.db2.gz DDEFEEKGQFVLLK-UHFFFAOYSA-N 2 1 304.434 2.779 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)Cc2ccc(C(=O)OC)cc2)CC1 ZINC000109786454 194285426 /nfs/dbraw/zinc/28/54/26/194285426.db2.gz DDEFEEKGQFVLLK-UHFFFAOYSA-N 2 1 304.434 2.779 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000268837886 207004298 /nfs/dbraw/zinc/00/42/98/207004298.db2.gz HGQAVRLIJKHHPD-AWEZNQCLSA-N 2 1 310.405 2.513 20 0 DFADMP COCCOc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@@H]2C)cc1 ZINC000422561263 296312666 /nfs/dbraw/zinc/31/26/66/296312666.db2.gz KFVHNBNJYOOCHX-VYDXJSESSA-N 2 1 306.450 2.517 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@@H]1C ZINC000422565715 296313304 /nfs/dbraw/zinc/31/33/04/296313304.db2.gz ZUAUNAFIRRWTAU-VYDXJSESSA-N 2 1 312.461 2.986 20 0 DFADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268854118 207021762 /nfs/dbraw/zinc/02/17/62/207021762.db2.gz YWVKZEORZIAXDN-VQIMIIECSA-N 2 1 312.461 2.692 20 0 DFADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000268854118 207021765 /nfs/dbraw/zinc/02/17/65/207021765.db2.gz YWVKZEORZIAXDN-VQIMIIECSA-N 2 1 312.461 2.692 20 0 DFADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268854117 207022200 /nfs/dbraw/zinc/02/22/00/207022200.db2.gz YWVKZEORZIAXDN-QFBILLFUSA-N 2 1 312.461 2.692 20 0 DFADMP Cc1nccn1CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000268854117 207022203 /nfs/dbraw/zinc/02/22/03/207022203.db2.gz YWVKZEORZIAXDN-QFBILLFUSA-N 2 1 312.461 2.692 20 0 DFADMP COc1ccc2c(c1)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)CCC2 ZINC000268855210 207022663 /nfs/dbraw/zinc/02/26/63/207022663.db2.gz QPYPLMAFLIDSLF-APWZRJJASA-N 2 1 318.461 2.509 20 0 DFADMP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000268871051 207039508 /nfs/dbraw/zinc/03/95/08/207039508.db2.gz VCHXDIFEKXIUQB-GOSISDBHSA-N 2 1 318.461 2.645 20 0 DFADMP CN1CC[C@@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)CC1(C)C ZINC000623482534 399398986 /nfs/dbraw/zinc/39/89/86/399398986.db2.gz YMVFFLPEAQUXQT-QGZVFWFLSA-N 2 1 316.493 2.760 20 0 DFADMP C[C@@H]1C[C@@H](C)[N@@H+](CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000422625264 296316594 /nfs/dbraw/zinc/31/65/94/296316594.db2.gz BBZZKSNSMNVIBY-ZHALLVOQSA-N 2 1 304.478 2.941 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)s1 ZINC000422633383 296317228 /nfs/dbraw/zinc/31/72/28/296317228.db2.gz IAVSDRGJBOSODK-GYSYKLTISA-N 2 1 310.463 2.648 20 0 DFADMP COC(=O)c1cc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(C)s1 ZINC000422633383 296317229 /nfs/dbraw/zinc/31/72/29/296317229.db2.gz IAVSDRGJBOSODK-GYSYKLTISA-N 2 1 310.463 2.648 20 0 DFADMP CC[C@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]1 ZINC000422702573 296318353 /nfs/dbraw/zinc/31/83/53/296318353.db2.gz LBWSIDXHQQTZMK-OALUTQOASA-N 2 1 315.505 2.944 20 0 DFADMP Fc1ccc(CC[NH+]2CCC([NH2+][C@H]3CCCOC3)CC2)cc1 ZINC000268932689 207098340 /nfs/dbraw/zinc/09/83/40/207098340.db2.gz ZWYROYVVUWQIMQ-SFHVURJKSA-N 2 1 306.425 2.601 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2CC[N@@H+](C)C(C)(C)C2)cc1 ZINC000623517886 399407046 /nfs/dbraw/zinc/40/70/46/399407046.db2.gz XBQYWYGUZMLQCB-WMZOPIPTSA-N 2 1 319.493 2.760 20 0 DFADMP CC(C)Oc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422716182 296320614 /nfs/dbraw/zinc/32/06/14/296320614.db2.gz NBWAIPXROZZPIO-FGTMMUONSA-N 2 1 318.461 2.721 20 0 DFADMP OCCCC[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000268959266 207124198 /nfs/dbraw/zinc/12/41/98/207124198.db2.gz FGBNSKYQCUISOZ-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP OCCCC[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000268959266 207124201 /nfs/dbraw/zinc/12/42/01/207124201.db2.gz FGBNSKYQCUISOZ-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP OCCCC[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000268959266 207124206 /nfs/dbraw/zinc/12/42/06/207124206.db2.gz FGBNSKYQCUISOZ-MOPGFXCFSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H]1CC[NH2+]C[C@H]1[NH2+]C1CCN(Cc2ccc(F)c(F)c2)CC1 ZINC000422723536 296321649 /nfs/dbraw/zinc/32/16/49/296321649.db2.gz RSPXXKIXEJVWNO-SCLBCKFNSA-N 2 1 323.431 2.517 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)c1c[nH+]ccc1N ZINC000422721611 296321398 /nfs/dbraw/zinc/32/13/98/296321398.db2.gz VURTUSDODBPCSI-WMZOPIPTSA-N 2 1 324.472 2.709 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)c1 ZINC000285883043 218689169 /nfs/dbraw/zinc/68/91/69/218689169.db2.gz ZPQANBJGUPDCTF-OLZOCXBDSA-N 2 1 310.463 2.917 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+][C@@H]2CCO[C@@H](c3cccnc3)C2)CC1(C)C ZINC000623557439 399415647 /nfs/dbraw/zinc/41/56/47/399415647.db2.gz XREMSELVWJTDFR-BRWVUGGUSA-N 2 1 303.450 2.764 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000268985488 207143068 /nfs/dbraw/zinc/14/30/68/207143068.db2.gz FJBVNTAZESRLIM-IIYDPXPESA-N 2 1 319.474 2.944 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(C)COc3ccccc3O2)CC1(C)C ZINC000623594741 399424228 /nfs/dbraw/zinc/42/42/28/399424228.db2.gz HIEFQZQQTYJQIT-KBXCAEBGSA-N 2 1 304.434 2.679 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H](c1cccs1)N1CCCC1 ZINC000422731445 296323128 /nfs/dbraw/zinc/32/31/28/296323128.db2.gz LRVWARKICLOGSJ-OWCLPIDISA-N 2 1 307.507 2.863 20 0 DFADMP CC[C@H](CCO)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000269030073 207180033 /nfs/dbraw/zinc/18/00/33/207180033.db2.gz DLKZJJCTIDWZAV-LMMKCTJWSA-N 2 1 304.478 2.895 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000623657599 399436360 /nfs/dbraw/zinc/43/63/60/399436360.db2.gz VDXLMUPLNJVCCJ-INIZCTEOSA-N 2 1 312.461 2.909 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000623656062 399436959 /nfs/dbraw/zinc/43/69/59/399436959.db2.gz MEEFXOIMTKGFRY-OAHLLOKOSA-N 2 1 304.434 2.669 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cccc3c2OCCCO3)C1 ZINC000623656062 399436962 /nfs/dbraw/zinc/43/69/62/399436962.db2.gz MEEFXOIMTKGFRY-OAHLLOKOSA-N 2 1 304.434 2.669 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCc2c[nH+]cn2C)c(C)c1OC ZINC000286033284 218757118 /nfs/dbraw/zinc/75/71/18/218757118.db2.gz JIQYOQHPRJOISE-CYBMUJFWSA-N 2 1 303.406 2.639 20 0 DFADMP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000623656982 399437408 /nfs/dbraw/zinc/43/74/08/399437408.db2.gz HESWMSADCCYGCQ-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccnn2-c2ccc(F)cc2)C1 ZINC000623656982 399437410 /nfs/dbraw/zinc/43/74/10/399437410.db2.gz HESWMSADCCYGCQ-HNNXBMFYSA-N 2 1 316.424 2.833 20 0 DFADMP CC(C)[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000269223772 207344474 /nfs/dbraw/zinc/34/44/74/207344474.db2.gz CAINUYZNYVHDNX-WMLDXEAASA-N 2 1 303.450 2.983 20 0 DFADMP C[C@H](c1ccccc1)N1CCC([NH2+][C@H]2CCC[C@H]2C[NH3+])CC1 ZINC000422745763 296325236 /nfs/dbraw/zinc/32/52/36/296325236.db2.gz MUXNZJWGTGYJRS-AYBZRNKSSA-N 2 1 301.478 2.929 20 0 DFADMP CC[C@@H](NC[C@@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747149 296325877 /nfs/dbraw/zinc/32/58/77/296325877.db2.gz YAUIVVAGUWOURO-OTWHNJEPSA-N 2 1 301.478 2.771 20 0 DFADMP CC[C@@H](NC[C@H]1CCC[N@H+]1Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422747150 296325898 /nfs/dbraw/zinc/32/58/98/296325898.db2.gz YAUIVVAGUWOURO-QRVBRYPASA-N 2 1 301.478 2.771 20 0 DFADMP COC(=O)c1[nH]c(C[NH2+]CCC[NH+](C(C)C)C(C)C)cc1C ZINC000602568528 399478987 /nfs/dbraw/zinc/47/89/87/399478987.db2.gz OKGBBUYKYSJNLC-UHFFFAOYSA-N 2 1 309.454 2.708 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422763604 296329025 /nfs/dbraw/zinc/32/90/25/296329025.db2.gz OXGSGQQCDFGPEZ-SESVDKBCSA-N 2 1 324.468 2.921 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000422781639 296331803 /nfs/dbraw/zinc/33/18/03/296331803.db2.gz LZGZOOMMWYASEP-BHIYHBOVSA-N 2 1 301.478 2.629 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@@H]2CCCCO2)[C@H](C)C1 ZINC000623894934 399489347 /nfs/dbraw/zinc/48/93/47/399489347.db2.gz FXLVQHJMAWHBPO-BDXSIMOUSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)C1C[NH2+]C1 ZINC000422777893 296331491 /nfs/dbraw/zinc/33/14/91/296331491.db2.gz GPMGUYFYIQOULD-MRXNPFEDSA-N 2 1 301.478 2.760 20 0 DFADMP C[C@H](NCc1ccc(C[NH+]2CCCCCC2)cc1)C1C[NH2+]C1 ZINC000422777892 296331664 /nfs/dbraw/zinc/33/16/64/296331664.db2.gz GPMGUYFYIQOULD-INIZCTEOSA-N 2 1 301.478 2.760 20 0 DFADMP O=C1[C@@H]([NH2+][C@@H]2CCC[NH2+]CC2)CCCN1c1ccccc1Cl ZINC000422782103 296331797 /nfs/dbraw/zinc/33/17/97/296331797.db2.gz MUVIJZGNWHBWRK-HIFRSBDPSA-N 2 1 321.852 2.567 20 0 DFADMP CC[C@H]([NH2+]CCNc1ncc(Cl)cc1Cl)[C@@H]1CCC[NH2+]1 ZINC000422794613 296333972 /nfs/dbraw/zinc/33/39/72/296333972.db2.gz ZABJWSDQAKNVKF-STQMWFEESA-N 2 1 317.264 2.921 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@H]1C[NH3+])c1cccc(OC)c1 ZINC000422797259 296334796 /nfs/dbraw/zinc/33/47/96/296334796.db2.gz LSAJRYRQZCPWON-YTQUADARSA-N 2 1 319.493 2.795 20 0 DFADMP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000422803040 296335875 /nfs/dbraw/zinc/33/58/75/296335875.db2.gz CHUSYAMAMOCCSV-ZWKOTPCHSA-N 2 1 317.477 2.918 20 0 DFADMP CC[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[N@@H+]1CCc2ccccc2C1 ZINC000422812572 296337700 /nfs/dbraw/zinc/33/77/00/296337700.db2.gz WOQPNNCTRBVUJF-DBVUQKKJSA-N 2 1 315.505 2.801 20 0 DFADMP CC[C@H](CN[C@H]1CC[NH2+]CC[C@@H]1C)[N@H+]1CCc2ccccc2C1 ZINC000422812572 296337701 /nfs/dbraw/zinc/33/77/01/296337701.db2.gz WOQPNNCTRBVUJF-DBVUQKKJSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812175 296337724 /nfs/dbraw/zinc/33/77/24/296337724.db2.gz VSYUQLPWHNCURF-APWZRJJASA-N 2 1 301.478 2.555 20 0 DFADMP CC[C@@H](NCC[N@H+]1CCc2ccccc2C1)[C@@H]1CCCC[NH2+]1 ZINC000422812647 296337616 /nfs/dbraw/zinc/33/76/16/296337616.db2.gz YCLYXYHYFHNDPD-MOPGFXCFSA-N 2 1 301.478 2.555 20 0 DFADMP C[C@H]1C[N@@H+](CCC(=O)Nc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000631841742 399506099 /nfs/dbraw/zinc/50/60/99/399506099.db2.gz PDSLJOBFWFVELB-GOEBONIOSA-N 2 1 311.429 2.695 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C[C@H]1C[NH3+] ZINC000631841419 399506323 /nfs/dbraw/zinc/50/63/23/399506323.db2.gz KKGPDCTYYSEGHU-CRAIPNDOSA-N 2 1 323.440 2.966 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843499 399506405 /nfs/dbraw/zinc/50/64/05/399506405.db2.gz ORVUALLYXUNBGE-IIAWOOMASA-N 2 1 311.429 2.693 20 0 DFADMP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631843499 399506409 /nfs/dbraw/zinc/50/64/09/399506409.db2.gz ORVUALLYXUNBGE-IIAWOOMASA-N 2 1 311.429 2.693 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CC[NH+](CC(C)C)CC1 ZINC000422819306 296339128 /nfs/dbraw/zinc/33/91/28/296339128.db2.gz MPRBHEMHQPVUKD-CQSZACIVSA-N 3 1 304.482 2.620 20 0 DFADMP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000631843614 399506900 /nfs/dbraw/zinc/50/69/00/399506900.db2.gz QHWKWTVHHBBINO-WBVHZDCISA-N 2 1 323.440 2.819 20 0 DFADMP C[C@@H]1C[N@@H+](CC(=O)Nc2ccccc2-c2ccccc2)C[C@@H]1C[NH3+] ZINC000631843614 399506906 /nfs/dbraw/zinc/50/69/06/399506906.db2.gz QHWKWTVHHBBINO-WBVHZDCISA-N 2 1 323.440 2.819 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)c1ccc2c(c1)OCO2)c1c[nH+]ccc1N ZINC000422824345 296339553 /nfs/dbraw/zinc/33/95/53/296339553.db2.gz NOZZNESGLHAAFN-LBPRGKRZSA-N 2 1 313.401 2.851 20 0 DFADMP C[C@@H](c1ccc2ccccc2c1)[N@H+]1CC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000631846250 399507687 /nfs/dbraw/zinc/50/76/87/399507687.db2.gz WXXPFNYYUGVBSM-IFXJQAMLSA-N 2 1 321.428 2.898 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346999258 285000211 /nfs/dbraw/zinc/00/02/11/285000211.db2.gz FWCNPTURZCVXTD-GFCCVEGCSA-N 2 1 304.825 2.771 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000346999258 285000216 /nfs/dbraw/zinc/00/02/16/285000216.db2.gz FWCNPTURZCVXTD-GFCCVEGCSA-N 2 1 304.825 2.771 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@@H]2CCC[C@H]2C[NH3+])N2CCCC2)cc1 ZINC000422833770 296341765 /nfs/dbraw/zinc/34/17/65/296341765.db2.gz WNZQQVZVJJYQJG-OTWHNJEPSA-N 2 1 301.478 2.849 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CCN(CCc2ccccc2)CC1 ZINC000422842444 296343142 /nfs/dbraw/zinc/34/31/42/296343142.db2.gz FWQRRGWATKMODO-YLJYHZDGSA-N 2 1 315.505 2.671 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000422842444 296343144 /nfs/dbraw/zinc/34/31/44/296343144.db2.gz FWQRRGWATKMODO-YLJYHZDGSA-N 3 1 315.505 2.671 20 0 DFADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H](C)[C@H]3CCC[NH2+]3)cc2)n1 ZINC000422857492 296345764 /nfs/dbraw/zinc/34/57/64/296345764.db2.gz HTANDUXYPWFTTO-QFBILLFUSA-N 2 1 312.461 2.762 20 0 DFADMP Brc1cncc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1 ZINC000167436067 532978143 /nfs/dbraw/zinc/97/81/43/532978143.db2.gz TZPGSACIAWSACE-OAHLLOKOSA-N 2 1 324.266 2.808 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC ZINC000422862814 296346781 /nfs/dbraw/zinc/34/67/81/296346781.db2.gz QKQMBTXFCHEGRP-HIFRSBDPSA-N 2 1 306.450 2.712 20 0 DFADMP CCOCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422865413 296346982 /nfs/dbraw/zinc/34/69/82/296346982.db2.gz OQRIYOBXPDOHMD-QGZVFWFLSA-N 2 1 306.450 2.642 20 0 DFADMP CC[C@@H](C(=O)N[C@@](C)(C[NH3+])CC(C)C)[N@@H+](C)Cc1ccccc1 ZINC000422866366 296347005 /nfs/dbraw/zinc/34/70/05/296347005.db2.gz QIGGHFLFHNFGSV-PKOBYXMFSA-N 2 1 319.493 2.777 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]Cc1cccc(N2CCCC2=O)c1 ZINC000422859726 296346101 /nfs/dbraw/zinc/34/61/01/296346101.db2.gz KETLYURVPGPJSM-IAGOWNOFSA-N 2 1 301.434 2.563 20 0 DFADMP CN(CCC[NH2+][C@H]1C[C@H]([NH3+])c2ccccc21)CC(F)(F)F ZINC000422870574 296347835 /nfs/dbraw/zinc/34/78/35/296347835.db2.gz YZMQTHDJAMQCCH-KBPBESRZSA-N 2 1 301.356 2.605 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422872832 296348153 /nfs/dbraw/zinc/34/81/53/296348153.db2.gz IUXAZCLRSZOTJB-FGTMMUONSA-N 2 1 318.461 2.640 20 0 DFADMP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3C[NH2+]CC[C@@H]3C)cc2)n1 ZINC000422869564 296347737 /nfs/dbraw/zinc/34/77/37/296347737.db2.gz XNGUHRMHFNRXQK-IFXJQAMLSA-N 2 1 312.461 2.619 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](Cc2ccc(CN[C@H]3CC[NH2+]C3)cc2)C1 ZINC000422874914 296348782 /nfs/dbraw/zinc/34/87/82/296348782.db2.gz DPLJBQPGPIFJFI-FCEWJHQRSA-N 2 1 301.478 2.616 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422884007 296350046 /nfs/dbraw/zinc/35/00/46/296350046.db2.gz RGEGOBQEBICDOX-JYJNAYRXSA-N 3 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)NCCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884009 296350183 /nfs/dbraw/zinc/35/01/83/296350183.db2.gz RGEGOBQEBICDOX-OWCLPIDISA-N 2 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884009 296350184 /nfs/dbraw/zinc/35/01/84/296350184.db2.gz RGEGOBQEBICDOX-OWCLPIDISA-N 3 1 318.509 2.867 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCC[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422884009 296350185 /nfs/dbraw/zinc/35/01/85/296350185.db2.gz RGEGOBQEBICDOX-OWCLPIDISA-N 3 1 318.509 2.867 20 0 DFADMP C[C@H]([NH2+][C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891025 296351633 /nfs/dbraw/zinc/35/16/33/296351633.db2.gz UKTMMCCVILLYIS-SQIBXOBRSA-N 3 1 315.505 2.731 20 0 DFADMP C[C@H](N[C@H]1[C@H](C)C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891025 296351635 /nfs/dbraw/zinc/35/16/35/296351635.db2.gz UKTMMCCVILLYIS-SQIBXOBRSA-N 2 1 315.505 2.731 20 0 DFADMP C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CC[NH2+]C1 ZINC000422891025 296351637 /nfs/dbraw/zinc/35/16/37/296351637.db2.gz UKTMMCCVILLYIS-SQIBXOBRSA-N 2 1 315.505 2.731 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)cc1F ZINC000422899384 296352711 /nfs/dbraw/zinc/35/27/11/296352711.db2.gz HIWKNXDWOGNEER-LRDDRELGSA-N 2 1 302.397 2.550 20 0 DFADMP Clc1cccc(C[N@@H+]2CCCC[C@H]2CN[C@H]2CC[NH2+]C2)c1 ZINC000422900261 296352770 /nfs/dbraw/zinc/35/27/70/296352770.db2.gz AESOQYCKJQZCIE-IRXDYDNUSA-N 2 1 307.869 2.646 20 0 DFADMP Clc1cccc(C[N@H+]2CCCC[C@H]2CN[C@H]2CC[NH2+]C2)c1 ZINC000422900261 296352771 /nfs/dbraw/zinc/35/27/71/296352771.db2.gz AESOQYCKJQZCIE-IRXDYDNUSA-N 2 1 307.869 2.646 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CCC[C@H]1C[NH3+] ZINC000422897345 296352565 /nfs/dbraw/zinc/35/25/65/296352565.db2.gz ZQMYHNDQSOQMQX-WMZOPIPTSA-N 2 1 319.493 2.624 20 0 DFADMP CCOC1CC([NH+](C)CC(C)C[N@H+](C)C2CC(OCC)C2)C1 ZINC000347453904 285045402 /nfs/dbraw/zinc/04/54/02/285045402.db2.gz MXJYRHUAIRGQLO-UHFFFAOYSA-N 2 1 312.498 2.621 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(Oc2cccnc2)c(F)c1)C1C[NH2+]C1 ZINC000422906635 296354426 /nfs/dbraw/zinc/35/44/26/296354426.db2.gz VQGKRZZYSLPHFA-LBPRGKRZSA-N 2 1 301.365 2.711 20 0 DFADMP CCc1nc(C[NH+]2CCC(C[NH2+][C@@H](C)C[C@@H](C)[NH3+])CC2)cs1 ZINC000422913838 296355311 /nfs/dbraw/zinc/35/53/11/296355311.db2.gz QWFYKMOLECUIHZ-KGLIPLIRSA-N 3 1 324.538 2.633 20 0 DFADMP COc1ccc(Cl)cc1N1CC[C@@H]([NH2+][C@H](C)[C@H]2CCC[NH2+]2)C1 ZINC000422912731 296354890 /nfs/dbraw/zinc/35/48/90/296354890.db2.gz WZMAQTXYZOGNPF-BPLDGKMQSA-N 2 1 323.868 2.657 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1cccc(Cl)c1 ZINC000631886683 399518315 /nfs/dbraw/zinc/51/83/15/399518315.db2.gz JIIUONDJCDYMND-CZUORRHYSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@H]21)Nc1cccc(Cl)c1 ZINC000631886683 399518321 /nfs/dbraw/zinc/51/83/21/399518321.db2.gz JIIUONDJCDYMND-CZUORRHYSA-N 2 1 321.852 2.743 20 0 DFADMP COc1cccc([C@H](CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)[NH+](C)C)c1 ZINC000269955433 208005295 /nfs/dbraw/zinc/00/52/95/208005295.db2.gz KGWGIWLZBMHTIG-AOIWGVFYSA-N 2 1 317.477 2.514 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)N(C)C)c1 ZINC000269955433 208005301 /nfs/dbraw/zinc/00/53/01/208005301.db2.gz KGWGIWLZBMHTIG-AOIWGVFYSA-N 2 1 317.477 2.514 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)N(C)C)c1 ZINC000269955433 208005304 /nfs/dbraw/zinc/00/53/04/208005304.db2.gz KGWGIWLZBMHTIG-AOIWGVFYSA-N 2 1 317.477 2.514 20 0 DFADMP c1cn(Cc2ccccc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000269994031 208046029 /nfs/dbraw/zinc/04/60/29/208046029.db2.gz VRYKAIGVSHGYHX-MOPGFXCFSA-N 2 1 310.445 2.648 20 0 DFADMP CCc1noc(-c2ccc(CC[NH2+][C@H](C)[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422958271 296360925 /nfs/dbraw/zinc/36/09/25/296360925.db2.gz OXPUXOYTUMIREY-CJNGLKHVSA-N 2 1 314.433 2.572 20 0 DFADMP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000422968220 296362752 /nfs/dbraw/zinc/36/27/52/296362752.db2.gz QRXKZYQLMJPMOJ-RTBURBONSA-N 3 1 301.478 2.888 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccccc1)C(C)(C)CO)c1c[nH+]ccc1N ZINC000422965389 296362248 /nfs/dbraw/zinc/36/22/48/296362248.db2.gz LAJPZFIBZAKUHX-WMLDXEAASA-N 2 1 313.445 2.947 20 0 DFADMP C[C@H]([NH2+]C[C@@H](c1ccccc1)C(C)(C)CO)[C@H]1CCCC[NH2+]1 ZINC000422967345 296362490 /nfs/dbraw/zinc/36/24/90/296362490.db2.gz OYFJUNUJJDJKDQ-RYQLBKOJSA-N 2 1 304.478 2.909 20 0 DFADMP COc1ccc([C@H]([NH2+]CC(C)(C)CCCO)[C@@H]2CCC[NH2+]2)cc1 ZINC000422984742 296364306 /nfs/dbraw/zinc/36/43/06/296364306.db2.gz BIXIDMWIJKEEEY-ROUUACIJSA-N 2 1 320.477 2.877 20 0 DFADMP CO[C@H](C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000625347517 399528858 /nfs/dbraw/zinc/52/88/58/399528858.db2.gz GPXNSXHZRSJCFQ-RHSMWYFYSA-N 2 1 317.408 2.904 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1)c1ccc(F)cc1 ZINC000625347517 399528864 /nfs/dbraw/zinc/52/88/64/399528864.db2.gz GPXNSXHZRSJCFQ-RHSMWYFYSA-N 2 1 317.408 2.904 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422972360 296363452 /nfs/dbraw/zinc/36/34/52/296363452.db2.gz LFVBOWNFPSVGEP-BRWVUGGUSA-N 2 1 303.450 2.881 20 0 DFADMP CC[C@H]([NH2+]CCOCc1cccc(OC)c1)[C@@H]1CCCC[NH2+]1 ZINC000423006779 296366751 /nfs/dbraw/zinc/36/67/51/296366751.db2.gz WIKGOFOLLMQBFY-ROUUACIJSA-N 2 1 306.450 2.722 20 0 DFADMP COc1cccc(CC[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)n1 ZINC000423007744 296366856 /nfs/dbraw/zinc/36/68/56/296366856.db2.gz RKSLUYMXGYUCFG-QZTJIDSGSA-N 2 1 311.429 2.716 20 0 DFADMP Fc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@H]1[C@H]1COCC[NH2+]1 ZINC000423021658 296369030 /nfs/dbraw/zinc/36/90/30/296369030.db2.gz FUCQCMDEQRRZNJ-FCGDIQPGSA-N 2 1 318.436 2.950 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCN(c2ccccc2F)C1)[C@H]1CCCC[NH2+]1 ZINC000423018345 296368421 /nfs/dbraw/zinc/36/84/21/296368421.db2.gz YOYLKJLXUOWGTK-ZMSDIMECSA-N 2 1 305.441 2.915 20 0 DFADMP CC1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCC[NH2+]2)Cc2ccccc2C1 ZINC000423017927 296368600 /nfs/dbraw/zinc/36/86/00/296368600.db2.gz PXCXWBXEOXKXAP-OTWHNJEPSA-N 2 1 314.473 2.538 20 0 DFADMP Cc1cccc2c1C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]3CCC[C@H]31)CO2 ZINC000624070620 399542860 /nfs/dbraw/zinc/54/28/60/399542860.db2.gz LFHWPAFYBBHEPZ-ONIAQPFYSA-N 2 1 300.446 2.761 20 0 DFADMP COc1cccc([C@@H]2[C@H](N[C@@H](C)C[C@@H](C)[NH3+])CC[N@@H+]2C2CC2)c1 ZINC000423041745 296370805 /nfs/dbraw/zinc/37/08/05/296370805.db2.gz JQCLQIJPMMINDS-GTYSZEQSSA-N 2 1 317.477 2.688 20 0 DFADMP COc1cccc([C@@H]2[C@H](N[C@@H](C)C[C@@H](C)[NH3+])CC[N@H+]2C2CC2)c1 ZINC000423041745 296370808 /nfs/dbraw/zinc/37/08/08/296370808.db2.gz JQCLQIJPMMINDS-GTYSZEQSSA-N 2 1 317.477 2.688 20 0 DFADMP C[C@@H]([NH2+][C@H]1CCN(c2ccc(F)c(Cl)c2)C1)[C@@H]1CCC[NH2+]1 ZINC000423042887 296371354 /nfs/dbraw/zinc/37/13/54/296371354.db2.gz MNLNRPBCRURTDO-WQGACYEGSA-N 2 1 311.832 2.788 20 0 DFADMP C[C@H](N[C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]1 ZINC000423049471 296372118 /nfs/dbraw/zinc/37/21/18/296372118.db2.gz XRYILYJTMLCWTA-PBWTXFEYSA-N 2 1 301.478 2.627 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@H](C)c2ccc(OC)c(F)c2)CC1 ZINC000159091768 197326478 /nfs/dbraw/zinc/32/64/78/197326478.db2.gz JXOGBTSTMPSXEF-CQSZACIVSA-N 2 1 324.440 2.986 20 0 DFADMP CCCNc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423079987 296375942 /nfs/dbraw/zinc/37/59/42/296375942.db2.gz ZBGHEZQDXRRMJE-IPMKNSEASA-N 2 1 317.477 2.755 20 0 DFADMP C[C@@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000423087228 296376627 /nfs/dbraw/zinc/37/66/27/296376627.db2.gz NKNPCMJLDIXUQT-IZIZEDOESA-N 2 1 302.462 2.663 20 0 DFADMP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000158864788 197307626 /nfs/dbraw/zinc/30/76/26/197307626.db2.gz URCUNHYEHWINFW-RHSMWYFYSA-N 2 1 303.450 2.998 20 0 DFADMP C[C@H]([NH2+]Cc1ccnc(Oc2ccccc2F)c1)C1C[NH2+]C1 ZINC000423091570 296377018 /nfs/dbraw/zinc/37/70/18/296377018.db2.gz XPIQRUIHNNDXSX-LBPRGKRZSA-N 2 1 301.365 2.711 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2CC[NH2+][C@@H](c3ccccc3)C2)C1 ZINC000423095443 296377946 /nfs/dbraw/zinc/37/79/46/296377946.db2.gz MFHWJGAVTKVRGJ-VSZNYVQBSA-N 2 1 316.445 2.801 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])cc1 ZINC000423099977 296378231 /nfs/dbraw/zinc/37/82/31/296378231.db2.gz GAYBOIPHENKINQ-ROUUACIJSA-N 2 1 306.450 2.852 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCc1ccccc1)[C@@H]1CC[NH2+]C1 ZINC000423108282 296379282 /nfs/dbraw/zinc/37/92/82/296379282.db2.gz QVTCYCJWRHETQA-DOTOQJQBSA-N 2 1 311.429 2.748 20 0 DFADMP Cn1cc2c(n1)CCC[C@@H]2[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1 ZINC000423110458 296379634 /nfs/dbraw/zinc/37/96/34/296379634.db2.gz IDZXDHTYLTWVDI-AYBZRNKSSA-N 2 1 310.445 2.880 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000624121055 399561474 /nfs/dbraw/zinc/56/14/74/399561474.db2.gz MTGIQYVHBLWCGH-GJZGRUSLSA-N 2 1 315.461 2.954 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000423113484 296380026 /nfs/dbraw/zinc/38/00/26/296380026.db2.gz UIQCLGVMDFLKMK-ZCNNSNEGSA-N 2 1 310.441 2.673 20 0 DFADMP Clc1cc2c(s1)CC[C@@H]2N[C@@H](C1CC1)[C@H]1C[NH2+]CCO1 ZINC000423119765 296380662 /nfs/dbraw/zinc/38/06/62/296380662.db2.gz DPQMYVGNBXERDR-ZOWXZIJZSA-N 2 1 312.866 2.745 20 0 DFADMP COCC1(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CCOCC1 ZINC000423123172 296381274 /nfs/dbraw/zinc/38/12/74/296381274.db2.gz DJTKKYJVLOKHBK-QZTJIDSGSA-N 2 1 318.461 2.513 20 0 DFADMP c1ccc([C@@H]2C[C@H]2C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423126056 296381592 /nfs/dbraw/zinc/38/15/92/296381592.db2.gz ANUPVGXJWSKWKT-ZWJWXYIHSA-N 2 1 300.446 2.537 20 0 DFADMP COCC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCOCC1 ZINC000423123171 296381334 /nfs/dbraw/zinc/38/13/34/296381334.db2.gz DJTKKYJVLOKHBK-MSOLQXFVSA-N 2 1 318.461 2.513 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCC[N@@H+](C)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000624124152 399563050 /nfs/dbraw/zinc/56/30/50/399563050.db2.gz YPOHPLVPXZGGKJ-OLZOCXBDSA-N 2 1 303.406 2.916 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@@H](C)[C@@H]2CC[NH2+]C2)[NH+](C)C)cc1 ZINC000423131883 296382286 /nfs/dbraw/zinc/38/22/86/296382286.db2.gz TVOFSMKCJRLXRM-WDYCEAGBSA-N 2 1 319.493 2.664 20 0 DFADMP C[C@@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C[C@H]1c1ccccc1 ZINC000423126113 296381663 /nfs/dbraw/zinc/38/16/63/296381663.db2.gz ARKVAGXRGVFYBX-IVDHNXQLSA-N 2 1 314.473 2.927 20 0 DFADMP C[C@@H](N)[C@H](Cc1ccccc1)[NH2+]CCCCC[NH+]1CCCC1 ZINC000423137266 296382983 /nfs/dbraw/zinc/38/29/83/296382983.db2.gz QLZKCIDVAWDJDZ-MJGOQNOKSA-N 2 1 303.494 2.801 20 0 DFADMP C[C@@H]([NH2+]CCc1cc(C(F)(F)F)ccn1)[C@H]1CCCC[NH2+]1 ZINC000423136326 296383131 /nfs/dbraw/zinc/38/31/31/296383131.db2.gz PBUCJVNGORUWHX-BXUZGUMPSA-N 2 1 301.356 2.763 20 0 DFADMP Cn1nc2c(c1C[NH2+][C@@H]1CC[NH2+][C@@H](c3ccccc3)C1)CCCC2 ZINC000423139055 296383576 /nfs/dbraw/zinc/38/35/76/296383576.db2.gz KCAGIDOMTURXOD-VQIMIIECSA-N 2 1 324.472 2.882 20 0 DFADMP Brc1ccc2c(c1)CC[C@@H]([NH2+][C@@H]1CCC[NH2+]C1)C2 ZINC000423190699 296390516 /nfs/dbraw/zinc/39/05/16/296390516.db2.gz NXCXAXSAFGSLSG-HUUCEWRRSA-N 2 1 309.251 2.648 20 0 DFADMP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CC[NH3+])nc1 ZINC000423189751 296390534 /nfs/dbraw/zinc/39/05/34/296390534.db2.gz RJUDUKCTFRVDFR-GOSISDBHSA-N 2 1 317.864 3.000 20 0 DFADMP C[C@@H](CCn1cccn1)[NH2+]CCC[N@@H+](C)Cc1ccccc1 ZINC000157511145 197192877 /nfs/dbraw/zinc/19/28/77/197192877.db2.gz IPCXXAUHPOBUDJ-KRWDZBQOSA-N 2 1 300.450 2.773 20 0 DFADMP C[C@@H](CCn1cccn1)[NH2+]CCC[N@@H+]1CCc2ccccc2C1 ZINC000157536177 197195295 /nfs/dbraw/zinc/19/52/95/197195295.db2.gz HCGZLYULHTWZJS-KRWDZBQOSA-N 2 1 312.461 2.700 20 0 DFADMP C[C@@H](CCn1cccn1)[NH2+]CCC[N@H+]1CCc2ccccc2C1 ZINC000157536177 197195296 /nfs/dbraw/zinc/19/52/96/197195296.db2.gz HCGZLYULHTWZJS-KRWDZBQOSA-N 2 1 312.461 2.700 20 0 DFADMP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[NH2+]C2)CC1 ZINC000423218157 296393817 /nfs/dbraw/zinc/39/38/17/296393817.db2.gz VDRVFPICLOCKJL-PKOBYXMFSA-N 3 1 315.505 2.671 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@H]([NH3+])c1ccccc1 ZINC000423236015 296395537 /nfs/dbraw/zinc/39/55/37/296395537.db2.gz HBXXSYCYJBIQFX-UXPWSPDFSA-N 2 1 324.472 2.582 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000620763819 399586792 /nfs/dbraw/zinc/58/67/92/399586792.db2.gz OJZYCJSZQRABFJ-INIZCTEOSA-N 2 1 318.465 2.600 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000347812919 285185821 /nfs/dbraw/zinc/18/58/21/285185821.db2.gz JWKSMXFFSIJFNP-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000347812919 285185824 /nfs/dbraw/zinc/18/58/24/285185824.db2.gz JWKSMXFFSIJFNP-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000347812919 285185829 /nfs/dbraw/zinc/18/58/29/285185829.db2.gz JWKSMXFFSIJFNP-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC000347812918 285186022 /nfs/dbraw/zinc/18/60/22/285186022.db2.gz JWKSMXFFSIJFNP-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC000347812918 285186026 /nfs/dbraw/zinc/18/60/26/285186026.db2.gz JWKSMXFFSIJFNP-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@H]1CCC[NH+](C(C)(C)CNC(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000347812918 285186029 /nfs/dbraw/zinc/18/60/29/285186029.db2.gz JWKSMXFFSIJFNP-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(OC(F)F)c(Cl)c2)CCOCC1 ZINC000629386930 399589911 /nfs/dbraw/zinc/58/99/11/399589911.db2.gz ACRDMHBHOAFSIE-UHFFFAOYSA-N 2 1 320.767 2.539 20 0 DFADMP CCC[C@@H](C)[NH2+]Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000156914249 197150202 /nfs/dbraw/zinc/15/02/02/197150202.db2.gz ZRKBXYJUPBXIRR-QAPCUYQASA-N 2 1 317.477 2.662 20 0 DFADMP [NH3+]C[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)C1CC1 ZINC000423268944 296398760 /nfs/dbraw/zinc/39/87/60/296398760.db2.gz FGRRAWVMVWFCND-WFASDCNBSA-N 2 1 309.251 2.633 20 0 DFADMP COc1cc([C@@H](C)[NH2+][C@@H](C[NH3+])C2CC2)ccc1OC(F)F ZINC000423274675 296399913 /nfs/dbraw/zinc/39/99/13/296399913.db2.gz KSMJNGDTIPAILC-SKDRFNHKSA-N 2 1 300.349 2.685 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@H]1CCc2c1c(Br)ccc2F ZINC000423297537 296401999 /nfs/dbraw/zinc/40/19/99/296401999.db2.gz KSPIZEDVHSWUFZ-PELKAZGASA-N 2 1 301.203 2.760 20 0 DFADMP C[C@H]([NH2+]C[C@]1(C)CCC[NH2+]C1)c1cnn(Cc2ccccc2)c1 ZINC000423318087 296403616 /nfs/dbraw/zinc/40/36/16/296403616.db2.gz CAVVNDUQFCTEEH-QFBILLFUSA-N 2 1 312.461 2.972 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@H]2C[C@@H](O)C2)CC1 ZINC000624216893 399600018 /nfs/dbraw/zinc/60/00/18/399600018.db2.gz UOSYZCDDHJPCNN-IZKRJXBMSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]([NH2+]CC[C@H](C)[N@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156210373 197095270 /nfs/dbraw/zinc/09/52/70/197095270.db2.gz HRMFRTPEYOFNQD-JKSUJKDBSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@@H]([NH2+]CC[C@H](C)[N@@H+](C)Cc1ccccc1)c1cnn(C)c1 ZINC000156210373 197095273 /nfs/dbraw/zinc/09/52/73/197095273.db2.gz HRMFRTPEYOFNQD-JKSUJKDBSA-N 2 1 300.450 2.981 20 0 DFADMP COc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H](C)C2CCOCC2)cc1 ZINC000423320294 296403959 /nfs/dbraw/zinc/40/39/59/296403959.db2.gz DKYDFDOEDPHWKC-JVPBZIDWSA-N 2 1 318.461 2.545 20 0 DFADMP C[N@@H+](CC1CC1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000156185784 197093743 /nfs/dbraw/zinc/09/37/43/197093743.db2.gz QXMPRCKKXNGTCD-LJQANCHMSA-N 2 1 302.462 2.774 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]([NH3+])C1CC1)c1ccc(Br)c(F)c1 ZINC000423320653 296404048 /nfs/dbraw/zinc/40/40/48/296404048.db2.gz MJKBNFFPNVPYKQ-AMIZOPFISA-N 2 1 301.203 2.976 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624217626 399601717 /nfs/dbraw/zinc/60/17/17/399601717.db2.gz ASCNVVWGXRSWEU-UHZRXMQZSA-N 2 1 314.473 2.648 20 0 DFADMP COc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1OC ZINC000347881820 285222628 /nfs/dbraw/zinc/22/26/28/285222628.db2.gz OQHKTLKMTFUMJJ-CZUORRHYSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c(C)c1OC ZINC000347881820 285222632 /nfs/dbraw/zinc/22/26/32/285222632.db2.gz OQHKTLKMTFUMJJ-CZUORRHYSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(C)c1OC ZINC000347881820 285222638 /nfs/dbraw/zinc/22/26/38/285222638.db2.gz OQHKTLKMTFUMJJ-CZUORRHYSA-N 2 1 306.450 2.927 20 0 DFADMP COc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c(C)c1OC ZINC000347881820 285222645 /nfs/dbraw/zinc/22/26/45/285222645.db2.gz OQHKTLKMTFUMJJ-CZUORRHYSA-N 2 1 306.450 2.927 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000271653277 209095560 /nfs/dbraw/zinc/09/55/60/209095560.db2.gz VQUODYCFXOZHDQ-GXTWGEPZSA-N 2 1 317.389 2.797 20 0 DFADMP COC(=O)c1ccc([C@H](C)[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)o1 ZINC000271653277 209095562 /nfs/dbraw/zinc/09/55/62/209095562.db2.gz VQUODYCFXOZHDQ-GXTWGEPZSA-N 2 1 317.389 2.797 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](C2CC2)C1 ZINC000347905048 285234999 /nfs/dbraw/zinc/23/49/99/285234999.db2.gz YQZBHOSWGGOLCU-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[NH2+]C[C@@H]2O)c2ccccc2)c(C)c1 ZINC000423409821 296413683 /nfs/dbraw/zinc/41/36/83/296413683.db2.gz QTQDGUGMSJPTJR-YSIASYRMSA-N 2 1 310.441 2.563 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423440141 296417083 /nfs/dbraw/zinc/41/70/83/296417083.db2.gz APJSXUKXRDXOKT-UFBFGSQYSA-N 2 1 301.203 2.902 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[NH2+]CC1(F)F)c1ccc(F)cc1N(C)C ZINC000423468097 296418845 /nfs/dbraw/zinc/41/88/45/296418845.db2.gz FJVSPFBAGVGXQO-RYUDHWBXSA-N 2 1 315.383 2.787 20 0 DFADMP CCc1nc(C)c([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)s1 ZINC000423490135 296421500 /nfs/dbraw/zinc/42/15/00/296421500.db2.gz YCTHRJOQISMVLN-GXSJLCMTSA-N 2 1 303.422 2.909 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1C[NH2+]CCCO1)c1cccc(C(F)(F)F)c1 ZINC000423502622 296423129 /nfs/dbraw/zinc/42/31/29/296423129.db2.gz FDQUBTBWTGEOQY-BXUZGUMPSA-N 2 1 302.340 2.735 20 0 DFADMP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423530355 296427046 /nfs/dbraw/zinc/42/70/46/296427046.db2.gz RFKUNWWLXLUUIZ-LBPRGKRZSA-N 2 1 319.840 2.713 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](CCC1CCCCC1)CC(N)=O ZINC000120687251 195216448 /nfs/dbraw/zinc/21/64/48/195216448.db2.gz VXCIBSDHANZESG-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](CCC1CCCCC1)CC(N)=O ZINC000120687251 195216452 /nfs/dbraw/zinc/21/64/52/195216452.db2.gz VXCIBSDHANZESG-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H](C[NH+]2CCCC2)c2ccccc2)CC[N@H+]1C ZINC000120800785 195240518 /nfs/dbraw/zinc/24/05/18/195240518.db2.gz UIOLLRAPUQZPBS-QRQLOZEOSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccccc1F ZINC000271554757 209008191 /nfs/dbraw/zinc/00/81/91/209008191.db2.gz VNNTUULPDLAMLN-DOPJRALCSA-N 2 1 306.425 2.854 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+]1C ZINC000624268869 399621859 /nfs/dbraw/zinc/62/18/59/399621859.db2.gz HUCGMDJAFBCCKP-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000624268869 399621863 /nfs/dbraw/zinc/62/18/63/399621863.db2.gz HUCGMDJAFBCCKP-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[N@H+]1C ZINC000624268869 399621866 /nfs/dbraw/zinc/62/18/66/399621866.db2.gz HUCGMDJAFBCCKP-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CCCN1C ZINC000624268869 399621878 /nfs/dbraw/zinc/62/18/78/399621878.db2.gz HUCGMDJAFBCCKP-YTQUADARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[NH+]1C ZINC000624268868 399621935 /nfs/dbraw/zinc/62/19/35/399621935.db2.gz HUCGMDJAFBCCKP-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[N@@H+]1C ZINC000624268868 399621943 /nfs/dbraw/zinc/62/19/43/399621943.db2.gz HUCGMDJAFBCCKP-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CCC[N@H+]1C ZINC000624268868 399621961 /nfs/dbraw/zinc/62/19/61/399621961.db2.gz HUCGMDJAFBCCKP-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCCN1C ZINC000624268868 399621975 /nfs/dbraw/zinc/62/19/75/399621975.db2.gz HUCGMDJAFBCCKP-WDSOQIARSA-N 2 1 301.478 2.581 20 0 DFADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000289486874 221012740 /nfs/dbraw/zinc/01/27/40/221012740.db2.gz YOHSEAMOXSNWAF-FHLIZLRMSA-N 2 1 323.431 2.784 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000289519040 221034654 /nfs/dbraw/zinc/03/46/54/221034654.db2.gz FWKYZDPXKFHGMU-LPHOPBHVSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000289519040 221034656 /nfs/dbraw/zinc/03/46/56/221034656.db2.gz FWKYZDPXKFHGMU-LPHOPBHVSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000289519040 221034660 /nfs/dbraw/zinc/03/46/60/221034660.db2.gz FWKYZDPXKFHGMU-LPHOPBHVSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000289519040 221034661 /nfs/dbraw/zinc/03/46/61/221034661.db2.gz FWKYZDPXKFHGMU-LPHOPBHVSA-N 2 1 320.477 2.764 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000289585002 221086399 /nfs/dbraw/zinc/08/63/99/221086399.db2.gz IDXXNSYCUJSSLO-UHFFFAOYSA-N 2 1 320.477 2.767 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000289585002 221086400 /nfs/dbraw/zinc/08/64/00/221086400.db2.gz IDXXNSYCUJSSLO-UHFFFAOYSA-N 2 1 320.477 2.767 20 0 DFADMP C[C@@H](C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000289560257 221068580 /nfs/dbraw/zinc/06/85/80/221068580.db2.gz YNSFCETWCOMCTK-INIZCTEOSA-N 2 1 321.484 2.887 20 0 DFADMP c1n[nH]cc1CC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000289650004 221129006 /nfs/dbraw/zinc/12/90/06/221129006.db2.gz GEDHBVFKXTWFHJ-SLFFLAALSA-N 2 1 324.472 2.843 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000289688271 221155236 /nfs/dbraw/zinc/15/52/36/221155236.db2.gz IAXVINYEOAETPM-MAUKXSAKSA-N 2 1 316.493 2.810 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cc(C)nc(N3CCCC3)c2)[C@@H](C)C1 ZINC000289688271 221155237 /nfs/dbraw/zinc/15/52/37/221155237.db2.gz IAXVINYEOAETPM-MAUKXSAKSA-N 2 1 316.493 2.810 20 0 DFADMP C[C@H](Cc1ccccc1)C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289725088 221182064 /nfs/dbraw/zinc/18/20/64/221182064.db2.gz HLVAASAYRUECHV-GOSISDBHSA-N 2 1 317.521 2.823 20 0 DFADMP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](n1cccn1)C(F)(F)F ZINC000629513300 399630290 /nfs/dbraw/zinc/63/02/90/399630290.db2.gz FUCBVYHEFXGRMF-HZSPNIEDSA-N 2 1 318.387 2.887 20 0 DFADMP Cc1cc2c(cc1C)[C@H]([NH2+]CC1([NH3+])CCOCC1)CCS2 ZINC000629520392 399634279 /nfs/dbraw/zinc/63/42/79/399634279.db2.gz KXTCAUHVDIRSGK-OAHLLOKOSA-N 2 1 306.475 2.938 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@]2(F)CC[N@H+](C(C)(C)C)C2)cc1 ZINC000289873045 221283983 /nfs/dbraw/zinc/28/39/83/221283983.db2.gz QXNZUOHSLOMVDH-SFHVURJKSA-N 2 1 321.440 2.899 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(COCCOC)cc2)[C@@H](C)C1 ZINC000289876961 221287083 /nfs/dbraw/zinc/28/70/83/221287083.db2.gz WYWCZQVJIJAHHW-QFBILLFUSA-N 2 1 320.477 2.670 20 0 DFADMP CC(C)COc1ccc([C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629524157 399635462 /nfs/dbraw/zinc/63/54/62/399635462.db2.gz MOYSFVJPLLEKRQ-OAHLLOKOSA-N 2 1 306.450 2.880 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000289913246 221311506 /nfs/dbraw/zinc/31/15/06/221311506.db2.gz ULWOUUMEPICEKU-QILLFSRXSA-N 2 1 316.493 2.809 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc(N2CCCC2)n1 ZINC000289913246 221311508 /nfs/dbraw/zinc/31/15/08/221311508.db2.gz ULWOUUMEPICEKU-QILLFSRXSA-N 2 1 316.493 2.809 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(Br)nc2)C1 ZINC000289951599 221337868 /nfs/dbraw/zinc/33/78/68/221337868.db2.gz WOMCLDNRKBNZGY-RYUDHWBXSA-N 2 1 312.255 2.837 20 0 DFADMP Brc1cnccc1C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000629532269 399638039 /nfs/dbraw/zinc/63/80/39/399638039.db2.gz SVQFYIRBPHBFIW-ZDUSSCGKSA-N 2 1 324.266 2.666 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[N@H+](C2CC2)C1)c1ccc(Br)nc1 ZINC000289974207 221353603 /nfs/dbraw/zinc/35/36/03/221353603.db2.gz XNHLZRBUVQGASI-NWDGAFQWSA-N 2 1 324.266 2.979 20 0 DFADMP C[C@H]1CC[C@H]([NH2+]C2CCC3(CC2)c2ccccc2NC3=O)C[NH2+]1 ZINC000629535697 399638932 /nfs/dbraw/zinc/63/89/32/399638932.db2.gz DOIXDKIETLMLQN-RQMAVPSVSA-N 2 1 313.445 2.549 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[C@@H](C)[NH2+]C2)c(C)c1OC ZINC000629541739 399641918 /nfs/dbraw/zinc/64/19/18/399641918.db2.gz VBSZHSSCJXNDON-DVOMOZLQSA-N 2 1 306.450 2.673 20 0 DFADMP CC[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc(Cl)c1 ZINC000629545479 399642434 /nfs/dbraw/zinc/64/24/34/399642434.db2.gz HQHYICOHSHIDON-JKSUJKDBSA-N 2 1 319.840 2.707 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000624357672 399653340 /nfs/dbraw/zinc/65/33/40/399653340.db2.gz AVGTUMJGRHBKGD-MRXNPFEDSA-N 2 1 307.401 2.686 20 0 DFADMP C[C@@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629577935 399653684 /nfs/dbraw/zinc/65/36/84/399653684.db2.gz FWQAUWJWWDFMCD-NSHDSACASA-N 2 1 306.328 2.553 20 0 DFADMP O[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)[C@@H]1c1ccc(Cl)cc1 ZINC000629581982 399655009 /nfs/dbraw/zinc/65/50/09/399655009.db2.gz LJGGGAGSZZZHSQ-IAOVAPTHSA-N 2 1 308.853 2.837 20 0 DFADMP CCC[C@@H]([NH2+]Cc1cn([C@@H]2CC[NH2+]C2)nn1)c1ccsc1 ZINC000629549306 399643687 /nfs/dbraw/zinc/64/36/87/399643687.db2.gz JVEVPYGUOVRUHB-HUUCEWRRSA-N 2 1 305.451 2.505 20 0 DFADMP CCCC[C@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1ccccc1 ZINC000629552428 399645120 /nfs/dbraw/zinc/64/51/20/399645120.db2.gz JSHTYHPJMLCPOW-ROUUACIJSA-N 2 1 313.449 2.834 20 0 DFADMP [NH3+]CCC[N@H+]1CC[C@H](Sc2ccc(Br)cc2)C1 ZINC000629549649 399645533 /nfs/dbraw/zinc/64/55/33/399645533.db2.gz KVMOECIIUYIXAU-ZDUSSCGKSA-N 2 1 315.280 2.964 20 0 DFADMP CN(CC[N@H+]1CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629561362 399650328 /nfs/dbraw/zinc/65/03/28/399650328.db2.gz HVZBFAQCEHDLIQ-UKRRQHHQSA-N 2 1 315.383 2.582 20 0 DFADMP Cc1nc(C)c(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629564084 399650459 /nfs/dbraw/zinc/65/04/59/399650459.db2.gz RJSDGNVJQJZBQJ-MNOVXSKESA-N 2 1 307.385 2.719 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)s1 ZINC000629564084 399650465 /nfs/dbraw/zinc/65/04/65/399650465.db2.gz RJSDGNVJQJZBQJ-MNOVXSKESA-N 2 1 307.385 2.719 20 0 DFADMP C[NH2+]CCOCC[N@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000629569414 399651602 /nfs/dbraw/zinc/65/16/02/399651602.db2.gz CARCZOYPTNAXHR-CQSZACIVSA-N 2 1 303.406 2.570 20 0 DFADMP C[NH2+]CCOCC[N@@H+](C)[C@H](C)c1ncc(-c2ccccc2)o1 ZINC000629569414 399651607 /nfs/dbraw/zinc/65/16/07/399651607.db2.gz CARCZOYPTNAXHR-CQSZACIVSA-N 2 1 303.406 2.570 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C[C@H]4CCCO4)[C@H]3C2)cc1 ZINC000294977688 224354722 /nfs/dbraw/zinc/35/47/22/224354722.db2.gz GGWHNGPRXSXWRJ-RDGPPVDQSA-N 2 1 300.446 2.666 20 0 DFADMP C[C@H]1SCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@@H]1C ZINC000093499756 542553101 /nfs/dbraw/zinc/55/31/01/542553101.db2.gz YBDSGEBEDZPTTD-HUUCEWRRSA-N 2 1 308.491 2.953 20 0 DFADMP C[C@@H]1SCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H]1C ZINC000093499749 542554210 /nfs/dbraw/zinc/55/42/10/542554210.db2.gz YBDSGEBEDZPTTD-GJZGRUSLSA-N 2 1 308.491 2.953 20 0 DFADMP C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C[C@@H]1CCOC1 ZINC000093840408 542554533 /nfs/dbraw/zinc/55/45/33/542554533.db2.gz SMMUCQJCQLZDJS-SFHVURJKSA-N 2 1 318.461 2.630 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000092486874 542547183 /nfs/dbraw/zinc/54/71/83/542547183.db2.gz ZPZGHVLEMIALHY-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C[C@H](C)O1 ZINC000092486874 542547187 /nfs/dbraw/zinc/54/71/87/542547187.db2.gz ZPZGHVLEMIALHY-RDJZCZTQSA-N 2 1 306.450 2.626 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000617504793 399720188 /nfs/dbraw/zinc/72/01/88/399720188.db2.gz KMFQIPWMYOBVNS-YESZJQIVSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C[C@@H]1CCC[C@H](C)C1 ZINC000617504793 399720194 /nfs/dbraw/zinc/72/01/94/399720194.db2.gz KMFQIPWMYOBVNS-YESZJQIVSA-N 2 1 311.514 2.591 20 0 DFADMP CC[C@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC[NH+](C)C ZINC000617507484 399720711 /nfs/dbraw/zinc/72/07/11/399720711.db2.gz YNZFEWHLHHCDII-YESZJQIVSA-N 2 1 311.514 2.591 20 0 DFADMP CC[C@H]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@@H+](C)CCC[NH+](C)C ZINC000617507484 399720713 /nfs/dbraw/zinc/72/07/13/399720713.db2.gz YNZFEWHLHHCDII-YESZJQIVSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)C1CCC(C)(C)CC1 ZINC000617506235 399720970 /nfs/dbraw/zinc/72/09/70/399720970.db2.gz GOAMIRIAKSAXOS-HNNXBMFYSA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)C1CCC(C)(C)CC1 ZINC000617506235 399720975 /nfs/dbraw/zinc/72/09/75/399720975.db2.gz GOAMIRIAKSAXOS-HNNXBMFYSA-N 2 1 311.514 2.591 20 0 DFADMP C[N@@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CC[NH+](C)C1 ZINC000120968071 195273758 /nfs/dbraw/zinc/27/37/58/195273758.db2.gz WAVREDMWFRYEQU-LBPRGKRZSA-N 2 1 302.340 2.811 20 0 DFADMP C[N@H+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CC[NH+](C)C1 ZINC000120968071 195273759 /nfs/dbraw/zinc/27/37/59/195273759.db2.gz WAVREDMWFRYEQU-LBPRGKRZSA-N 2 1 302.340 2.811 20 0 DFADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CC[N@H+](C)C1 ZINC000120968071 195273760 /nfs/dbraw/zinc/27/37/60/195273760.db2.gz WAVREDMWFRYEQU-LBPRGKRZSA-N 2 1 302.340 2.811 20 0 DFADMP C[NH+](Cc1ccc(OC(F)F)c(F)c1)C[C@H]1CC[N@@H+](C)C1 ZINC000120968071 195273761 /nfs/dbraw/zinc/27/37/61/195273761.db2.gz WAVREDMWFRYEQU-LBPRGKRZSA-N 2 1 302.340 2.811 20 0 DFADMP CCCOc1cc(C[N@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC ZINC000121020514 195281820 /nfs/dbraw/zinc/28/18/20/195281820.db2.gz FKGUYYQKJAFBAD-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1cc(C[N@@H+](C)C[C@H]2CC[NH+](C)C2)ccc1OC ZINC000121020514 195281821 /nfs/dbraw/zinc/28/18/21/195281821.db2.gz FKGUYYQKJAFBAD-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1cc(C[NH+](C)C[C@H]2CC[N@H+](C)C2)ccc1OC ZINC000121020514 195281824 /nfs/dbraw/zinc/28/18/24/195281824.db2.gz FKGUYYQKJAFBAD-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CCCOc1cc(C[NH+](C)C[C@H]2CC[N@@H+](C)C2)ccc1OC ZINC000121020514 195281826 /nfs/dbraw/zinc/28/18/26/195281826.db2.gz FKGUYYQKJAFBAD-INIZCTEOSA-N 2 1 306.450 2.868 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cncc(Cl)c2)C1 ZINC000621260492 399737279 /nfs/dbraw/zinc/73/72/79/399737279.db2.gz GHWPDXLAHYQKCY-INIZCTEOSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cncc(Cl)c2)C1 ZINC000621260492 399737281 /nfs/dbraw/zinc/73/72/81/399737281.db2.gz GHWPDXLAHYQKCY-INIZCTEOSA-N 2 1 311.857 2.668 20 0 DFADMP CC[N@H+](CC(=O)NC(C)(C)CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061648 399741534 /nfs/dbraw/zinc/74/15/34/399741534.db2.gz QOALTVUFJDPAHA-UHFFFAOYSA-N 2 1 319.493 2.875 20 0 DFADMP CC[N@@H+](CC(=O)NC(C)(C)CC)Cc1ccc(C[NH+](C)C)cc1 ZINC000626061648 399741535 /nfs/dbraw/zinc/74/15/35/399741535.db2.gz QOALTVUFJDPAHA-UHFFFAOYSA-N 2 1 319.493 2.875 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCC(=O)c2ccccc2)C1 ZINC000348161881 285390404 /nfs/dbraw/zinc/39/04/04/285390404.db2.gz APGKBIWEIGGFPF-SFHVURJKSA-N 2 1 318.461 2.692 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCC[C@H]2C)CC1 ZINC000052209457 425884162 /nfs/dbraw/zinc/88/41/62/425884162.db2.gz SKWBNMHIQYQYKA-QGZVFWFLSA-N 2 1 323.525 2.831 20 0 DFADMP CC[N@@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@](C)(O)C(F)(F)F ZINC000626063276 399742688 /nfs/dbraw/zinc/74/26/88/399742688.db2.gz YCGWRXSTHNRIDT-OAHLLOKOSA-N 2 1 318.383 2.883 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@@H+](C)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000294903110 533374818 /nfs/dbraw/zinc/37/48/18/533374818.db2.gz ARICRFQYEFJKGP-SWDXFRIISA-N 2 1 302.462 2.801 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294903110 533374822 /nfs/dbraw/zinc/37/48/22/533374822.db2.gz ARICRFQYEFJKGP-SWDXFRIISA-N 2 1 302.462 2.801 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+](C)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294903110 533374827 /nfs/dbraw/zinc/37/48/27/533374827.db2.gz ARICRFQYEFJKGP-SWDXFRIISA-N 2 1 302.462 2.801 20 0 DFADMP Cc1cc(C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)ncn1 ZINC000292987707 533597265 /nfs/dbraw/zinc/59/72/65/533597265.db2.gz YALILBWNWXOMJZ-UHFFFAOYSA-N 2 1 311.433 2.697 20 0 DFADMP CCOc1cncc(C[NH2+]CCC[N@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000621328834 399756196 /nfs/dbraw/zinc/75/61/96/399756196.db2.gz FPGSSAHNXFJLPJ-IYBDPMFKSA-N 2 1 305.466 2.938 20 0 DFADMP CCOc1cncc(C[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)c1 ZINC000621328834 399756200 /nfs/dbraw/zinc/75/62/00/399756200.db2.gz FPGSSAHNXFJLPJ-IYBDPMFKSA-N 2 1 305.466 2.938 20 0 DFADMP C[NH+](C)CCN1CCC(C[NH2+][C@@H]2CCc3ccc(F)cc32)CC1 ZINC000124461549 542597497 /nfs/dbraw/zinc/59/74/97/542597497.db2.gz JNJRCGHPWSYUCW-LJQANCHMSA-N 2 1 319.468 2.676 20 0 DFADMP CC(C)NC(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000127972252 542615863 /nfs/dbraw/zinc/61/58/63/542615863.db2.gz ZUCRWEKERMWMKV-YOEHRIQHSA-N 2 1 318.465 2.789 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2cnc(C3CCC3)s2)CC1 ZINC000132887653 542643727 /nfs/dbraw/zinc/64/37/27/542643727.db2.gz CKODEMWGIKMWOH-UHFFFAOYSA-N 2 1 322.522 2.528 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)CC2 ZINC000132998626 542644951 /nfs/dbraw/zinc/64/49/51/542644951.db2.gz KMTSRQKNBHXAOL-IFXJQAMLSA-N 2 1 318.436 2.904 20 0 DFADMP C[NH+](C)C[C@@H](O)C[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000154314333 542688108 /nfs/dbraw/zinc/68/81/08/542688108.db2.gz PXULFZHYQAKZIY-RBUKOAKNSA-N 2 1 304.478 2.690 20 0 DFADMP Brc1c[nH+]ccc1NCCC[NH2+]Cc1cccnc1 ZINC000163948071 132127941 /nfs/dbraw/zinc/12/79/41/132127941.db2.gz CGAXOWUYIMMMEA-UHFFFAOYSA-N 2 1 321.222 2.831 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000166194751 542750527 /nfs/dbraw/zinc/75/05/27/542750527.db2.gz QVLOBDSMWAWULI-QZTJIDSGSA-N 2 1 315.461 2.543 20 0 DFADMP CCCNC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c1 ZINC000166194751 542750531 /nfs/dbraw/zinc/75/05/31/542750531.db2.gz QVLOBDSMWAWULI-QZTJIDSGSA-N 2 1 315.461 2.543 20 0 DFADMP c1sc(N2CCCC2)nc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166637167 542751075 /nfs/dbraw/zinc/75/10/75/542751075.db2.gz HWWUUINHZCMLOK-GOEBONIOSA-N 2 1 320.506 2.502 20 0 DFADMP c1cc(OCC2CC2)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000166416205 542751453 /nfs/dbraw/zinc/75/14/53/542751453.db2.gz CSNGDJREPOVALQ-DLBZAZTESA-N 2 1 301.434 2.587 20 0 DFADMP c1cc(OCC2CC2)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000166416205 542751457 /nfs/dbraw/zinc/75/14/57/542751457.db2.gz CSNGDJREPOVALQ-DLBZAZTESA-N 2 1 301.434 2.587 20 0 DFADMP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccco1 ZINC000166380930 542751571 /nfs/dbraw/zinc/75/15/71/542751571.db2.gz MQDGEYLZLXUSOH-BRWVUGGUSA-N 2 1 305.466 2.879 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000163813363 542744469 /nfs/dbraw/zinc/74/44/69/542744469.db2.gz UBCPNODBSYBIHL-XJKSGUPXSA-N 2 1 323.868 2.721 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccccc2Cl)CC[C@H]1[NH3+] ZINC000251889406 542946783 /nfs/dbraw/zinc/94/67/83/542946783.db2.gz VVZJIJSEHUDKRY-TZMCWYRMSA-N 2 1 309.841 2.728 20 0 DFADMP C[C@@H](CC(=O)NCCC[N@@H+](C)C1CCCCC1)[C@H]1CCC[NH2+]C1 ZINC000261643458 542952789 /nfs/dbraw/zinc/95/27/89/542952789.db2.gz DMZNENQRTIXGLJ-IRXDYDNUSA-N 2 1 323.525 2.783 20 0 DFADMP O[C@@H]1C[NH2+]C[C@@H]1C[NH2+]Cc1ccc(Sc2ccccc2)cc1 ZINC000263119642 542955092 /nfs/dbraw/zinc/95/50/92/542955092.db2.gz AUBNEQIMGXGKNK-MAUKXSAKSA-N 2 1 314.454 2.508 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1CC[N@H+](C3CC3)C1)CC2 ZINC000280003409 542986365 /nfs/dbraw/zinc/98/63/65/542986365.db2.gz GDVIAYOTLCBMKV-CXAGYDPISA-N 2 1 316.445 2.765 20 0 DFADMP COC1CC([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000309888650 543067059 /nfs/dbraw/zinc/06/70/59/543067059.db2.gz CTKWEANBLXCBBF-TXQZXFLYSA-N 2 1 300.446 2.664 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@@H+]1CCc2ccccc2C1 ZINC000320174268 543080848 /nfs/dbraw/zinc/08/08/48/543080848.db2.gz NFAVWPMSZCTUHI-AWEZNQCLSA-N 2 1 309.413 2.531 20 0 DFADMP C[C@@H](C(=O)Nc1cccc(C[NH3+])c1)[N@H+]1CCc2ccccc2C1 ZINC000320174268 543080853 /nfs/dbraw/zinc/08/08/53/543080853.db2.gz NFAVWPMSZCTUHI-AWEZNQCLSA-N 2 1 309.413 2.531 20 0 DFADMP CC1(C)CC([NH2+]Cc2cnn(CC(F)(F)F)c2)CC(C)(C)[NH2+]1 ZINC000320844488 543083210 /nfs/dbraw/zinc/08/32/10/543083210.db2.gz LPKFXTGSVONFMM-UHFFFAOYSA-N 2 1 318.387 2.844 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000321961847 543087235 /nfs/dbraw/zinc/08/72/35/543087235.db2.gz YTNQQJHGNUYUAS-FUHWJXTLSA-N 2 1 317.477 2.513 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)N1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000321961847 543087238 /nfs/dbraw/zinc/08/72/38/543087238.db2.gz YTNQQJHGNUYUAS-FUHWJXTLSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H](CCc1ccccc1)[NH+]1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000604388513 399844013 /nfs/dbraw/zinc/84/40/13/399844013.db2.gz HYEHFSULIOJPIM-QUCCMNQESA-N 2 1 315.505 2.720 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CN[C@@H]2CC[NH+]3CCC[C@H]3C2)C1 ZINC000339066081 543139064 /nfs/dbraw/zinc/13/90/64/543139064.db2.gz ATKHWVGTAWTYKW-XDNAFOTISA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339066081 543139066 /nfs/dbraw/zinc/13/90/66/543139066.db2.gz ATKHWVGTAWTYKW-XDNAFOTISA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CN[C@@H]2CC[N@H+]3CCC[C@H]3C2)C1 ZINC000339066081 543139068 /nfs/dbraw/zinc/13/90/68/543139068.db2.gz ATKHWVGTAWTYKW-XDNAFOTISA-N 2 1 307.526 2.959 20 0 DFADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)C1([NH+]2CCSCC2)CCCC1 ZINC000339076605 543140070 /nfs/dbraw/zinc/14/00/70/543140070.db2.gz VAOXKUCJLTZXDL-SJORKVTESA-N 2 1 323.550 2.564 20 0 DFADMP C([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000339076605 543140073 /nfs/dbraw/zinc/14/00/73/543140073.db2.gz VAOXKUCJLTZXDL-SJORKVTESA-N 2 1 323.550 2.564 20 0 DFADMP C([NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)C1(N2CCSCC2)CCCC1 ZINC000339076605 543140077 /nfs/dbraw/zinc/14/00/77/543140077.db2.gz VAOXKUCJLTZXDL-SJORKVTESA-N 2 1 323.550 2.564 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000339068347 543140156 /nfs/dbraw/zinc/14/01/56/543140156.db2.gz FQCYKVDKIXJTBK-PMPSAXMXSA-N 2 1 304.434 2.679 20 0 DFADMP c1sc(N2CCCC2)nc1CC[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000339067198 543140359 /nfs/dbraw/zinc/14/03/59/543140359.db2.gz HWWUUINHZCMLOK-HOCLYGCPSA-N 2 1 320.506 2.502 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000339234689 543141988 /nfs/dbraw/zinc/14/19/88/543141988.db2.gz UVHGBRURJWXRIV-GJZGRUSLSA-N 2 1 323.506 2.732 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC(=O)NCCC[NH+]1CCCCCC1 ZINC000339238473 543142100 /nfs/dbraw/zinc/14/21/00/543142100.db2.gz NIHWRXOIFNVMIX-KRWDZBQOSA-N 2 1 309.498 2.633 20 0 DFADMP C[C@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](CCOC2CCOCC2)C1 ZINC000625174145 399857457 /nfs/dbraw/zinc/85/74/57/399857457.db2.gz WDPMKMGUOJPHCX-ROUUACIJSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCOC2CCOCC2)C1 ZINC000625174145 399857458 /nfs/dbraw/zinc/85/74/58/399857458.db2.gz WDPMKMGUOJPHCX-ROUUACIJSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCOC2CCOCC2)C1 ZINC000625174145 399857459 /nfs/dbraw/zinc/85/74/59/399857459.db2.gz WDPMKMGUOJPHCX-ROUUACIJSA-N 2 1 324.509 2.768 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCOC2CCOCC2)C1 ZINC000625174145 399857460 /nfs/dbraw/zinc/85/74/60/399857460.db2.gz WDPMKMGUOJPHCX-ROUUACIJSA-N 2 1 324.509 2.768 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CC[C@H]3C3CC3)CC2)nc(C)[nH+]1 ZINC000348065259 543183135 /nfs/dbraw/zinc/18/31/35/543183135.db2.gz BPCYVFDITFLNPP-IRXDYDNUSA-N 2 1 300.450 2.840 20 0 DFADMP C[C@H](CC[N@H+](C)C[C@@H]1CCCCO1)[NH+](C)C[C@@H]1CCCCO1 ZINC000348265082 543184491 /nfs/dbraw/zinc/18/44/91/543184491.db2.gz CRXIDGUVPVQLJE-SQNIBIBYSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[N@@H+](C)C[C@@H]1CCCCO1)[NH+](C)C[C@@H]1CCCCO1 ZINC000348265082 543184496 /nfs/dbraw/zinc/18/44/96/543184496.db2.gz CRXIDGUVPVQLJE-SQNIBIBYSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+](C)C[C@@H]1CCCCO1)[N@H+](C)C[C@@H]1CCCCO1 ZINC000348265082 543184498 /nfs/dbraw/zinc/18/44/98/543184498.db2.gz CRXIDGUVPVQLJE-SQNIBIBYSA-N 2 1 312.498 2.767 20 0 DFADMP C[C@H](CC[NH+](C)C[C@@H]1CCCCO1)[N@@H+](C)C[C@@H]1CCCCO1 ZINC000348265082 543184502 /nfs/dbraw/zinc/18/45/02/543184502.db2.gz CRXIDGUVPVQLJE-SQNIBIBYSA-N 2 1 312.498 2.767 20 0 DFADMP COC1(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)CCCCC1 ZINC000361544069 292112418 /nfs/dbraw/zinc/11/24/18/292112418.db2.gz RQKUXVVVPOCWID-YESZJQIVSA-N 2 1 310.482 2.519 20 0 DFADMP COC1(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)CCCCC1 ZINC000361544063 292112293 /nfs/dbraw/zinc/11/22/93/292112293.db2.gz RQKUXVVVPOCWID-BRWVUGGUSA-N 2 1 310.482 2.519 20 0 DFADMP CC(C)[C@H]1CCC[C@@H]([NH2+]C2CC[NH+](CCC(=O)N(C)C)CC2)C1 ZINC000354332729 543243335 /nfs/dbraw/zinc/24/33/35/543243335.db2.gz VODVDPQZXURZTC-FUHWJXTLSA-N 2 1 323.525 2.734 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@](C)(CO)Cc2ccccc2)[C@@H](C)C1 ZINC000358057147 543265480 /nfs/dbraw/zinc/26/54/80/543265480.db2.gz PFGZRODBBOXSJG-YTQUADARSA-N 2 1 304.478 2.548 20 0 DFADMP CS[C@@H]1CC[C@@H]1[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1 ZINC000425343426 296569692 /nfs/dbraw/zinc/56/96/92/296569692.db2.gz IGTSEOORNYRCOI-JKSUJKDBSA-N 2 1 323.506 2.987 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000398030432 543310810 /nfs/dbraw/zinc/31/08/10/543310810.db2.gz NEGYMYDQEUEEPH-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCCC[C@H]1O ZINC000398030432 543310812 /nfs/dbraw/zinc/31/08/12/543310812.db2.gz NEGYMYDQEUEEPH-NXWXRZEISA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000164578312 145224678 /nfs/dbraw/zinc/22/46/78/145224678.db2.gz VFNCLYNQUMBLCA-BBRMVZONSA-N 2 1 319.474 2.520 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]3CSC[NH2+]3)cc2)C1 ZINC000164578312 145224681 /nfs/dbraw/zinc/22/46/81/145224681.db2.gz VFNCLYNQUMBLCA-BBRMVZONSA-N 2 1 319.474 2.520 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@@H]2C[C@@H]2c2ccccc2)C1 ZINC000411310109 543316841 /nfs/dbraw/zinc/31/68/41/543316841.db2.gz TUZLURCSAPJHPC-IPMKNSEASA-N 2 1 302.462 2.975 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000165244273 145229400 /nfs/dbraw/zinc/22/94/00/145229400.db2.gz BEIFIAOQHFEYFQ-MJGOQNOKSA-N 2 1 304.478 2.956 20 0 DFADMP COCC[N@H+](C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000165984455 145233425 /nfs/dbraw/zinc/23/34/25/145233425.db2.gz JIIIQEOSGRVQLS-WDSOQIARSA-N 2 1 320.477 2.711 20 0 DFADMP COCC[N@@H+](C)CC[C@H]([NH2+][C@@H](C)[C@H]1CCOC1)c1ccccc1 ZINC000165984455 145233427 /nfs/dbraw/zinc/23/34/27/145233427.db2.gz JIIIQEOSGRVQLS-WDSOQIARSA-N 2 1 320.477 2.711 20 0 DFADMP CCOc1cc(CN[C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000168811778 145244233 /nfs/dbraw/zinc/24/42/33/145244233.db2.gz FGICBCFJOOMQPK-DZKIICNBSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1cc(C[NH2+][C@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)ccc1OC ZINC000168811778 145244240 /nfs/dbraw/zinc/24/42/40/145244240.db2.gz FGICBCFJOOMQPK-DZKIICNBSA-N 2 1 306.450 2.912 20 0 DFADMP Cn1c2ccccc2nc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000171385804 145264176 /nfs/dbraw/zinc/26/41/76/145264176.db2.gz OONJPKUAQCSNLI-UHFFFAOYSA-N 2 1 312.461 2.881 20 0 DFADMP C[NH+](C)CC[C@H]([NH2+][C@H]1CCN(C2CCCCC2)C1=O)C(C)(C)C ZINC000630382230 399880236 /nfs/dbraw/zinc/88/02/36/399880236.db2.gz RWMQOISDAGMIOA-IRXDYDNUSA-N 2 1 323.525 2.876 20 0 DFADMP Cc1ccc(C)c(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000174900739 145393804 /nfs/dbraw/zinc/39/38/04/145393804.db2.gz LIPUCFXLNUHPBY-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000174900739 145393806 /nfs/dbraw/zinc/39/38/06/145393806.db2.gz LIPUCFXLNUHPBY-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP CC[C@@H]1CN(c2nc(N3Cc4ccccc4C3)cc[nH+]2)CC[C@@H]1[NH3+] ZINC000630513021 399897217 /nfs/dbraw/zinc/89/72/17/399897217.db2.gz OGXQYGOKGPWZNG-PBHICJAKSA-N 2 1 323.444 2.560 20 0 DFADMP O=c1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)c[nH]1 ZINC000631112821 399982846 /nfs/dbraw/zinc/98/28/46/399982846.db2.gz XZWDQJSGBHFGNS-GBESFXJTSA-N 2 1 323.440 2.787 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccnn1CC1CCC1)C[NH+]1CCCCC1 ZINC000631047255 399968773 /nfs/dbraw/zinc/96/87/73/399968773.db2.gz RDOCPEIYFJNTPU-INIZCTEOSA-N 2 1 304.482 2.895 20 0 DFADMP O[C@@H](C[NH2+]Cc1ccc(F)c2ccccc12)C[NH+]1CCCC1 ZINC000631049680 399969226 /nfs/dbraw/zinc/96/92/26/399969226.db2.gz KBIIIKBAWGUUIM-HNNXBMFYSA-N 2 1 302.393 2.525 20 0 DFADMP O[C@H](C[NH2+]Cc1ccc(F)c2ccccc12)C[NH+]1CCCC1 ZINC000631049681 399969246 /nfs/dbraw/zinc/96/92/46/399969246.db2.gz KBIIIKBAWGUUIM-OAHLLOKOSA-N 2 1 302.393 2.525 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CC[N@H+]1C1CCCCC1 ZINC000628544330 400039308 /nfs/dbraw/zinc/03/93/08/400039308.db2.gz DLXBOLRBHRAUMO-GOEBONIOSA-N 2 1 309.498 2.676 20 0 DFADMP COCCc1ncc(C[NH2+]CC(C)(C)C[NH+]2CCCC2)s1 ZINC000631119786 399984381 /nfs/dbraw/zinc/98/43/81/399984381.db2.gz DHQQODZJKIRGHV-UHFFFAOYSA-N 2 1 311.495 2.544 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2[C@H]3Cc4c(cccc4Br)[C@@H]23)CC1 ZINC000631192208 399999933 /nfs/dbraw/zinc/99/99/33/399999933.db2.gz JUDZSBQYYIRGIN-NUEKZKHPSA-N 2 1 321.262 2.771 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000631195024 400000775 /nfs/dbraw/zinc/00/07/75/400000775.db2.gz AECLEPHUCVUESS-NVXWUHKLSA-N 2 1 314.429 2.630 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]Cc1ccc(CO)o1 ZINC000631195024 400000777 /nfs/dbraw/zinc/00/07/77/400000777.db2.gz AECLEPHUCVUESS-NVXWUHKLSA-N 2 1 314.429 2.630 20 0 DFADMP CCc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195228 400000888 /nfs/dbraw/zinc/00/08/88/400000888.db2.gz UUMSUWRFTJRLDH-QFBILLFUSA-N 2 1 324.472 2.897 20 0 DFADMP CCc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195228 400000889 /nfs/dbraw/zinc/00/08/89/400000889.db2.gz UUMSUWRFTJRLDH-QFBILLFUSA-N 2 1 324.472 2.897 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195549 400001134 /nfs/dbraw/zinc/00/11/34/400001134.db2.gz HYMMJXIDIDIZDU-LPHOPBHVSA-N 2 1 310.445 2.841 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C)cn1 ZINC000631195549 400001137 /nfs/dbraw/zinc/00/11/37/400001137.db2.gz HYMMJXIDIDIZDU-LPHOPBHVSA-N 2 1 310.445 2.841 20 0 DFADMP Cc1nn(C)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000631196196 400001589 /nfs/dbraw/zinc/00/15/89/400001589.db2.gz OOBNATLSUINYJT-QAPCUYQASA-N 2 1 312.461 2.586 20 0 DFADMP CC[C@H]1CCCC[C@@H]1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000628211722 400002216 /nfs/dbraw/zinc/00/22/16/400002216.db2.gz DBTCTJHPSGZSCZ-DLBZAZTESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)[C@H](C)O1 ZINC000631221062 400006801 /nfs/dbraw/zinc/00/68/01/400006801.db2.gz DUEPUFCNWAFYFK-ZRGWGRIASA-N 2 1 320.452 2.988 20 0 DFADMP C[C@H]([NH2+]C1CC[NH+](C2CCCCC2)CC1)[C@@H](O)C(F)(F)F ZINC000631235019 400009839 /nfs/dbraw/zinc/00/98/39/400009839.db2.gz UEHIKTIYPUBNQG-SMDDNHRTSA-N 2 1 308.388 2.685 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC(F)(F)C1 ZINC000628337277 400022441 /nfs/dbraw/zinc/02/24/41/400022441.db2.gz ATDISPLRWPCRPV-CXAGYDPISA-N 2 1 324.415 2.777 20 0 DFADMP c1ccc2nc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)cnc2c1 ZINC000628352965 400024866 /nfs/dbraw/zinc/02/48/66/400024866.db2.gz BDGXLQCMFPKFIW-MRXNPFEDSA-N 2 1 310.445 2.841 20 0 DFADMP c1ccc2nc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)cnc2c1 ZINC000628352965 400024867 /nfs/dbraw/zinc/02/48/67/400024867.db2.gz BDGXLQCMFPKFIW-MRXNPFEDSA-N 2 1 310.445 2.841 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NC[C@@H]1CCCC[NH+](C)C1)c1ccccc1 ZINC000628757222 400053891 /nfs/dbraw/zinc/05/38/91/400053891.db2.gz ZZNVCVDGINIBJR-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@H+](C)C1)c1ccccc1 ZINC000628757222 400053892 /nfs/dbraw/zinc/05/38/92/400053892.db2.gz ZZNVCVDGINIBJR-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP CC[NH+](C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+](C)C1)c1ccccc1 ZINC000628757222 400053894 /nfs/dbraw/zinc/05/38/94/400053894.db2.gz ZZNVCVDGINIBJR-WMZOPIPTSA-N 2 1 317.477 2.528 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](C)C1 ZINC000631578811 400054053 /nfs/dbraw/zinc/05/40/53/400054053.db2.gz ATUDOZYCWCSRIC-GDBMZVCRSA-N 2 1 304.434 2.840 20 0 DFADMP COc1cccc2c1OCCC[C@H]2[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000631578814 400054175 /nfs/dbraw/zinc/05/41/75/400054175.db2.gz ATUDOZYCWCSRIC-GOEBONIOSA-N 2 1 304.434 2.840 20 0 DFADMP CC[C@H]([NH2+][C@H]1CCc2[nH+]ccn2C1)c1cccc(OC)c1OC ZINC000631604714 400057460 /nfs/dbraw/zinc/05/74/60/400057460.db2.gz DFGCJFGQRHUDBC-ZFWWWQNUSA-N 2 1 315.417 2.956 20 0 DFADMP C([NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1)C1([C@H]2CCCCO2)CCC1 ZINC000631732331 400071000 /nfs/dbraw/zinc/07/10/00/400071000.db2.gz HWKSCFYXMMKAFY-QZTJIDSGSA-N 2 1 322.493 2.569 20 0 DFADMP COc1cccc(-c2nc(C[N@@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)co2)c1 ZINC000631823817 400077699 /nfs/dbraw/zinc/07/76/99/400077699.db2.gz OKQPUQILJFXFOK-RRQGHBQHSA-N 2 1 313.401 2.519 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3C[C@@H]4CC[C@@H]([NH3+])[C@H]4C3)co2)c1 ZINC000631823817 400077700 /nfs/dbraw/zinc/07/77/00/400077700.db2.gz OKQPUQILJFXFOK-RRQGHBQHSA-N 2 1 313.401 2.519 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c2c(c1)COCC2 ZINC000631822753 400077743 /nfs/dbraw/zinc/07/77/43/400077743.db2.gz NDCRQMIYYGSIQC-VQIMIIECSA-N 2 1 300.446 2.723 20 0 DFADMP COc1cccc(-c2nc(C[N@H+]3CCC[C@H](CC[NH3+])C3)co2)c1 ZINC000631825598 400078053 /nfs/dbraw/zinc/07/80/53/400078053.db2.gz NIJSKDAUODSFJI-CQSZACIVSA-N 2 1 315.417 2.911 20 0 DFADMP [NH3+][C@@H]1CCCCC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000631832323 400078390 /nfs/dbraw/zinc/07/83/90/400078390.db2.gz CWFDWJTZYIXMAP-MRXNPFEDSA-N 2 1 314.433 2.873 20 0 DFADMP [NH3+][C@@H]1CCCCC[N@@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000631832323 400078391 /nfs/dbraw/zinc/07/83/91/400078391.db2.gz CWFDWJTZYIXMAP-MRXNPFEDSA-N 2 1 314.433 2.873 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cccc(OCc3ccccn3)c2)C[C@H]1C[NH3+] ZINC000631837001 400078672 /nfs/dbraw/zinc/07/86/72/400078672.db2.gz LJJUBDRVXBBWDO-NVXWUHKLSA-N 2 1 311.429 2.687 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CCCCn2cc[nH+]c2C)C12CCOCC2 ZINC000186356912 145712535 /nfs/dbraw/zinc/71/25/35/145712535.db2.gz VJNCRLZQCGUWLF-IRXDYDNUSA-N 2 1 321.465 2.536 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C(CC)(CC)C[NH3+])CC1 ZINC000236708117 146024512 /nfs/dbraw/zinc/02/45/12/146024512.db2.gz VBRBIUZEGSZKQW-UHFFFAOYSA-N 2 1 311.514 2.722 20 0 DFADMP C[C@H](C(=O)NCc1cccc(C[NH+](C)C)c1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000245201348 146063149 /nfs/dbraw/zinc/06/31/49/146063149.db2.gz HOSVSTHAZHXAHR-OWCLPIDISA-N 2 1 317.477 2.626 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CCN1CC[NH+](C[C@@H]2CC=CCC2)CC1 ZINC000245566411 146084468 /nfs/dbraw/zinc/08/44/68/146084468.db2.gz SOBHSGHIFPYWDN-CEXWTWQISA-N 2 1 305.510 2.833 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000245917859 146109465 /nfs/dbraw/zinc/10/94/65/146109465.db2.gz QHLYWRRRKYQYJN-XLNGHYISSA-N 2 1 303.450 2.765 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000246303204 146136847 /nfs/dbraw/zinc/13/68/47/146136847.db2.gz CIRVVTOTJOGRRU-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000246303204 146136851 /nfs/dbraw/zinc/13/68/51/146136851.db2.gz CIRVVTOTJOGRRU-CVEARBPZSA-N 2 1 320.481 2.633 20 0 DFADMP COc1cccc(O[C@H](C)C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@@H]2C)c1 ZINC000247137849 146163130 /nfs/dbraw/zinc/16/31/30/146163130.db2.gz QSQMYZLTHZCUTA-OIPACUDHSA-N 2 1 306.450 2.781 20 0 DFADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000249031024 146182783 /nfs/dbraw/zinc/18/27/83/146182783.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC000249031024 146182786 /nfs/dbraw/zinc/18/27/86/146182786.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000249031024 146182789 /nfs/dbraw/zinc/18/27/89/146182789.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000249031024 146182793 /nfs/dbraw/zinc/18/27/93/146182793.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 2 1 313.489 2.864 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000249031024 146182797 /nfs/dbraw/zinc/18/27/97/146182797.db2.gz RCRABHYFWIYBCA-MFPFXBIISA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[NH+]1[C@H](C)CC[C@H]1C ZINC000249749650 146205369 /nfs/dbraw/zinc/20/53/69/146205369.db2.gz QBPHECZQDSFGSZ-VQHPVUNQSA-N 2 1 309.498 2.628 20 0 DFADMP CC1CC[NH+](CCN2CC[C@H]3[C@@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000252692339 146222077 /nfs/dbraw/zinc/22/20/77/146222077.db2.gz BFLLMVVMAHLTGP-HKUYNNGSSA-N 2 1 305.510 2.667 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222650 /nfs/dbraw/zinc/22/26/50/146222650.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222653 /nfs/dbraw/zinc/22/26/53/146222653.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1CC[C@H](NC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222655 /nfs/dbraw/zinc/22/26/55/146222655.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222657 /nfs/dbraw/zinc/22/26/57/146222657.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)N(C)Cc2ccccc2)[C@@H](C)C1 ZINC000252695977 146222658 /nfs/dbraw/zinc/22/26/58/146222658.db2.gz AZXZTMMQXRTYOE-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000261579650 146242989 /nfs/dbraw/zinc/24/29/89/146242989.db2.gz PNODUDDHDAOCMZ-GUTXKFCHSA-N 2 1 309.251 2.927 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)cc1Br ZINC000261579650 146242992 /nfs/dbraw/zinc/24/29/92/146242992.db2.gz PNODUDDHDAOCMZ-GUTXKFCHSA-N 2 1 309.251 2.927 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261600626 146243438 /nfs/dbraw/zinc/24/34/38/146243438.db2.gz BPGCRKSCAYEQCA-QWHCGFSZSA-N 2 1 300.324 2.627 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000261600626 146243440 /nfs/dbraw/zinc/24/34/40/146243440.db2.gz BPGCRKSCAYEQCA-QWHCGFSZSA-N 2 1 300.324 2.627 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261626931 146249683 /nfs/dbraw/zinc/24/96/83/146249683.db2.gz HFTUBZDRRULYJV-TZMCWYRMSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)c1 ZINC000261626931 146249684 /nfs/dbraw/zinc/24/96/84/146249684.db2.gz HFTUBZDRRULYJV-TZMCWYRMSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](C[C@@H]3CCC[NH2+]C3)C2)n1 ZINC000261638416 146251481 /nfs/dbraw/zinc/25/14/81/146251481.db2.gz AAJXCUDCGFLBAH-NEPJUHHUSA-N 2 1 316.371 2.608 20 0 DFADMP C[C@]1(C[NH3+])CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000261643795 146252579 /nfs/dbraw/zinc/25/25/79/146252579.db2.gz GOFRNHBGWKGCGN-MRXNPFEDSA-N 2 1 320.824 2.603 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261656341 146255524 /nfs/dbraw/zinc/25/55/24/146255524.db2.gz BITWOPBOXHSSNH-JQHSSLGASA-N 2 1 310.445 2.565 20 0 DFADMP c1ccc(-c2noc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)cc1 ZINC000261661035 146255661 /nfs/dbraw/zinc/25/56/61/146255661.db2.gz GERXZUGTNWOSQC-MRXNPFEDSA-N 2 1 312.417 2.701 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[N@@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261688486 146259408 /nfs/dbraw/zinc/25/94/08/146259408.db2.gz ASHONQQXWZMUEN-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP c1ccc(OCc2cccnc2)c(C[N@H+]2CC[C@]3(CC[NH2+]C3)C2)c1 ZINC000261688486 146259411 /nfs/dbraw/zinc/25/94/11/146259411.db2.gz ASHONQQXWZMUEN-FQEVSTJZSA-N 2 1 323.440 2.846 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261681177 146260051 /nfs/dbraw/zinc/26/00/51/146260051.db2.gz MMPCVZLFJPOBDI-TZMCWYRMSA-N 2 1 300.324 2.769 20 0 DFADMP FC(F)(F)Oc1ccc(C[N@H+]2CC[C@H]3[NH2+]CC[C@@H]3C2)cc1 ZINC000261681177 146260052 /nfs/dbraw/zinc/26/00/52/146260052.db2.gz MMPCVZLFJPOBDI-TZMCWYRMSA-N 2 1 300.324 2.769 20 0 DFADMP CC[N@@H+](Cc1ccc(-c2nc(C[C@@H](C)[NH2+]C)no2)cc1)C1CC1 ZINC000261701880 146262134 /nfs/dbraw/zinc/26/21/34/146262134.db2.gz IENKJALTSZHXTM-CYBMUJFWSA-N 2 1 314.433 2.871 20 0 DFADMP C[C@@H]1C[C@H](N(C)C[C@@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261714583 146263558 /nfs/dbraw/zinc/26/35/58/146263558.db2.gz FARWGQQMIYJBGI-RLLQIKCJSA-N 3 1 315.505 2.971 20 0 DFADMP CCC[N@@H+](CCOc1ccc(OCC)cc1)C1CC[NH2+]CC1 ZINC000261794147 146277077 /nfs/dbraw/zinc/27/70/77/146277077.db2.gz YCSCJUXAPUFDSU-UHFFFAOYSA-N 2 1 306.450 2.928 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261863937 146290427 /nfs/dbraw/zinc/29/04/27/146290427.db2.gz KOLNAQVSFYVDOO-RYQLBKOJSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1cccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c1 ZINC000261863937 146290431 /nfs/dbraw/zinc/29/04/31/146290431.db2.gz KOLNAQVSFYVDOO-RYQLBKOJSA-N 2 1 315.461 2.808 20 0 DFADMP c1nn(Cc2ccccc2)cc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261918712 146301902 /nfs/dbraw/zinc/30/19/02/146301902.db2.gz BJSFSLBDKMYXCE-UHFFFAOYSA-N 2 1 310.445 2.507 20 0 DFADMP c1ccc(C2CC([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000261965860 146311148 /nfs/dbraw/zinc/31/11/48/146311148.db2.gz PZEWVEVBJBGODS-JIARVOFWSA-N 2 1 300.446 2.679 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c(-c2ccnn2C)c1 ZINC000261981116 146315171 /nfs/dbraw/zinc/31/51/71/146315171.db2.gz RIUCLQVAXSDWOA-IPELMVKDSA-N 2 1 324.472 2.955 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@H]3C2)c(-c2ccnn2C)c1 ZINC000261981123 146315884 /nfs/dbraw/zinc/31/58/84/146315884.db2.gz RIUCLQVAXSDWOA-ZYSHUDEJSA-N 2 1 324.472 2.955 20 0 DFADMP c1sc(-c2ccccn2)nc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261989285 146317429 /nfs/dbraw/zinc/31/74/29/146317429.db2.gz KCANOPIJQCFODG-UHFFFAOYSA-N 2 1 314.458 2.781 20 0 DFADMP CCCOc1ccc(OCC[N@@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000261988303 146317510 /nfs/dbraw/zinc/31/75/10/146317510.db2.gz SQHNNTJYZNIJHP-INIZCTEOSA-N 2 1 306.450 2.786 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CCC[C@@H](C[NH2+]C)C2)cc1 ZINC000261988303 146317512 /nfs/dbraw/zinc/31/75/12/146317512.db2.gz SQHNNTJYZNIJHP-INIZCTEOSA-N 2 1 306.450 2.786 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262002457 146320865 /nfs/dbraw/zinc/32/08/65/146320865.db2.gz LLIUDLFMMNECES-OAHLLOKOSA-N 2 1 314.351 2.813 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000262002457 146320869 /nfs/dbraw/zinc/32/08/69/146320869.db2.gz LLIUDLFMMNECES-OAHLLOKOSA-N 2 1 314.351 2.813 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1)Sc1ccccc1 ZINC000262024177 146323714 /nfs/dbraw/zinc/32/37/14/146323714.db2.gz WXAITWKZNYGSOW-SPUZQDLCSA-N 2 1 320.502 2.914 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)Sc1ccccc1 ZINC000262024172 146324087 /nfs/dbraw/zinc/32/40/87/146324087.db2.gz WXAITWKZNYGSOW-BZZMCLGOSA-N 2 1 320.502 2.914 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052678 146326984 /nfs/dbraw/zinc/32/69/84/146326984.db2.gz ZTXLJFSFASGOTE-JKSUJKDBSA-N 2 1 312.461 2.955 20 0 DFADMP CCN(CC)c1ncc(C[N@H+]2CCC3(C2)CC[NH2+]CC3)s1 ZINC000262070120 146329437 /nfs/dbraw/zinc/32/94/37/146329437.db2.gz SAKSHRYWXDBOCF-UHFFFAOYSA-N 2 1 308.495 2.565 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2ccn(-c3ccc(F)cc3F)n2)C1 ZINC000262092426 146331909 /nfs/dbraw/zinc/33/19/09/146331909.db2.gz HIDJPXMTUDWYOH-CYBMUJFWSA-N 2 1 320.387 2.711 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096536 146332874 /nfs/dbraw/zinc/33/28/74/146332874.db2.gz HZAKBIRLFFKMDC-NWDGAFQWSA-N 2 1 300.805 2.917 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CCC[N@@H+](CCOc2ccc(F)cc2Cl)C1 ZINC000262096536 146332875 /nfs/dbraw/zinc/33/28/75/146332875.db2.gz HZAKBIRLFFKMDC-NWDGAFQWSA-N 2 1 300.805 2.917 20 0 DFADMP CCOc1ccc(OCC[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000262111135 146334302 /nfs/dbraw/zinc/33/43/02/146334302.db2.gz JUOYKGRNPJGUPN-BMGDILEWSA-N 2 1 304.434 2.523 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OC(F)F ZINC000262420304 146357549 /nfs/dbraw/zinc/35/75/49/146357549.db2.gz DYVAVFSOMFMWJD-YPMHNXCESA-N 2 1 314.376 2.713 20 0 DFADMP CCC[N@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000262585227 146375112 /nfs/dbraw/zinc/37/51/12/146375112.db2.gz ZPOJEJHRFMIONS-HZPDHXFCSA-N 2 1 303.450 2.725 20 0 DFADMP CCC[N@@H+](C[C@@H]1CCC[NH2+]C1)[C@H](C)C(=O)Nc1ccccc1 ZINC000262585227 146375113 /nfs/dbraw/zinc/37/51/13/146375113.db2.gz ZPOJEJHRFMIONS-HZPDHXFCSA-N 2 1 303.450 2.725 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1 ZINC000459522016 543394237 /nfs/dbraw/zinc/39/42/37/543394237.db2.gz HJRBZGQOYSHDTG-IRXDYDNUSA-N 2 1 318.852 2.651 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000262703048 146382614 /nfs/dbraw/zinc/38/26/14/146382614.db2.gz KAMRAWQFXWLZSZ-PBHICJAKSA-N 2 1 323.506 2.594 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CCC[N@@H+](CC)C2)CC1 ZINC000354147214 146923360 /nfs/dbraw/zinc/92/33/60/146923360.db2.gz SEQFOETURZKORK-KLHKWILBSA-N 2 1 310.482 2.820 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CC[N@H+](C)C2CCCC2)CC1 ZINC000354348680 147002956 /nfs/dbraw/zinc/00/29/56/147002956.db2.gz OXOGFMWEFDZNIA-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]CC[N@@H+](C)C2CCCC2)CC1 ZINC000354348680 147002959 /nfs/dbraw/zinc/00/29/59/147002959.db2.gz OXOGFMWEFDZNIA-UHFFFAOYSA-N 2 1 310.482 2.962 20 0 DFADMP CC[C@H]1C[C@H](C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3CCOC)CCO1 ZINC000354509574 147062467 /nfs/dbraw/zinc/06/24/67/147062467.db2.gz YCWAAGYZGDZUKX-BBCBXFPWSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@H]1C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3CCOC)CCO1 ZINC000354509574 147062472 /nfs/dbraw/zinc/06/24/72/147062472.db2.gz YCWAAGYZGDZUKX-BBCBXFPWSA-N 2 1 324.509 2.765 20 0 DFADMP CC[C@H]1C[C@H](C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3CCOC)CCO1 ZINC000354509574 147062473 /nfs/dbraw/zinc/06/24/73/147062473.db2.gz YCWAAGYZGDZUKX-BBCBXFPWSA-N 2 1 324.509 2.765 20 0 DFADMP CCC[C@@H](C)[N@@H+](C)CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354828424 147167001 /nfs/dbraw/zinc/16/70/01/147167001.db2.gz BIPPOCJIOLWEGV-WBVHZDCISA-N 2 1 305.466 2.526 20 0 DFADMP C[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354846896 147174333 /nfs/dbraw/zinc/17/43/33/147174333.db2.gz DOTZSINIVZNSEG-AEFFLSMTSA-N 2 1 317.477 2.670 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC000354873980 147186328 /nfs/dbraw/zinc/18/63/28/147186328.db2.gz FTNKUACHBNMNBX-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC000354873980 147186330 /nfs/dbraw/zinc/18/63/30/147186330.db2.gz FTNKUACHBNMNBX-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CCCC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000354873980 147186333 /nfs/dbraw/zinc/18/63/33/147186333.db2.gz FTNKUACHBNMNBX-IAGOWNOFSA-N 2 1 309.498 2.632 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@@H]1C ZINC000354928572 147198783 /nfs/dbraw/zinc/19/87/83/147198783.db2.gz GLBXEKYLVWGJED-VVLHAWIVSA-N 2 1 309.498 2.628 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000354928572 147198789 /nfs/dbraw/zinc/19/87/89/147198789.db2.gz GLBXEKYLVWGJED-VVLHAWIVSA-N 2 1 309.498 2.628 20 0 DFADMP CC[C@@H]1CCCC[NH+]1CCNC(=O)[C@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000354928572 147198792 /nfs/dbraw/zinc/19/87/92/147198792.db2.gz GLBXEKYLVWGJED-VVLHAWIVSA-N 2 1 309.498 2.628 20 0 DFADMP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)CC2 ZINC000526041101 543429236 /nfs/dbraw/zinc/42/92/36/543429236.db2.gz GNILGZSOPTZGFG-XJKSGUPXSA-N 2 1 304.434 2.623 20 0 DFADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1C ZINC000355217465 147227000 /nfs/dbraw/zinc/22/70/00/147227000.db2.gz HFOFWSAQVBRIME-JENIJYKNSA-N 2 1 318.461 2.687 20 0 DFADMP COc1ccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)cc1C ZINC000355217468 147227704 /nfs/dbraw/zinc/22/77/04/147227704.db2.gz HFOFWSAQVBRIME-ZHALLVOQSA-N 2 1 318.461 2.687 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc(C)s2)CC1 ZINC000355651860 147398307 /nfs/dbraw/zinc/39/83/07/147398307.db2.gz PBHDZOWLBLCLNU-UHFFFAOYSA-N 2 1 303.431 2.782 20 0 DFADMP CCC[NH+]1CCC(N(C)C(=O)CCn2cc[nH+]c2C(C)C)CC1 ZINC000357820802 148137532 /nfs/dbraw/zinc/13/75/32/148137532.db2.gz FWAVGIUTHIICMJ-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP C[C@]1([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCCOC1 ZINC000357863637 148153796 /nfs/dbraw/zinc/15/37/96/148153796.db2.gz HDWZSDPXWOUZLF-IBGZPJMESA-N 2 1 320.452 2.991 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCOc2ccc(F)cc2)C1 ZINC000350200925 286018601 /nfs/dbraw/zinc/01/86/01/286018601.db2.gz CVTHLWYGFZSSSZ-SFHVURJKSA-N 2 1 324.440 2.637 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2nc3ccccc3o2)C1 ZINC000350222272 286019840 /nfs/dbraw/zinc/01/98/40/286019840.db2.gz RPOKACQZCCAUCR-HNNXBMFYSA-N 2 1 317.433 2.761 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2nc3ccccc3o2)C1 ZINC000350222272 286019841 /nfs/dbraw/zinc/01/98/41/286019841.db2.gz RPOKACQZCCAUCR-HNNXBMFYSA-N 2 1 317.433 2.761 20 0 DFADMP CCN1C[C@@H](C)[C@@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000358055719 148228444 /nfs/dbraw/zinc/22/84/44/148228444.db2.gz CGTQMTSNNZLQNX-APWZRJJASA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(C[NH+](C)C(C)C)c2)C1 ZINC000358055719 148228450 /nfs/dbraw/zinc/22/84/50/148228450.db2.gz CGTQMTSNNZLQNX-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(C[NH+](C)C(C)C)c2)C1 ZINC000358055719 148228453 /nfs/dbraw/zinc/22/84/53/148228453.db2.gz CGTQMTSNNZLQNX-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@@H](C)[C@@H](NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000358055719 148228456 /nfs/dbraw/zinc/22/84/56/148228456.db2.gz CGTQMTSNNZLQNX-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@@H](C)[C@@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000358055719 148228459 /nfs/dbraw/zinc/22/84/59/148228459.db2.gz CGTQMTSNNZLQNX-APWZRJJASA-N 3 1 303.494 2.957 20 0 DFADMP CCN1C[C@H](C)[C@H]([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000358055725 148228658 /nfs/dbraw/zinc/22/86/58/148228658.db2.gz CGTQMTSNNZLQNX-QFBILLFUSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+]1C[C@H](C)[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)C1 ZINC000358055725 148228662 /nfs/dbraw/zinc/22/86/62/148228662.db2.gz CGTQMTSNNZLQNX-QFBILLFUSA-N 3 1 303.494 2.957 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NCc2cccc(C[NH+](C)C(C)C)c2)C1 ZINC000358055725 148228664 /nfs/dbraw/zinc/22/86/64/148228664.db2.gz CGTQMTSNNZLQNX-QFBILLFUSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NCc2cccc(C[N@H+](C)C(C)C)c2)C1 ZINC000358055725 148228668 /nfs/dbraw/zinc/22/86/68/148228668.db2.gz CGTQMTSNNZLQNX-QFBILLFUSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](NCc2cccc(C[N@@H+](C)C(C)C)c2)C1 ZINC000358055725 148228672 /nfs/dbraw/zinc/22/86/72/148228672.db2.gz CGTQMTSNNZLQNX-QFBILLFUSA-N 3 1 303.494 2.957 20 0 DFADMP CC1=CC[N@@H+](CCNC(=O)Nc2cccc(C[NH+](C)C)c2)CC1 ZINC000358135956 148255599 /nfs/dbraw/zinc/25/55/99/148255599.db2.gz KWQNDSQQXROXQB-UHFFFAOYSA-N 2 1 316.449 2.522 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCOc1cccc2cccnc21 ZINC000358140368 148258402 /nfs/dbraw/zinc/25/84/02/148258402.db2.gz MWBVWRVUDYHBHM-DOTOQJQBSA-N 2 1 313.445 2.934 20 0 DFADMP COc1cccc(OCCC[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000358145619 148260255 /nfs/dbraw/zinc/26/02/55/148260255.db2.gz AGINILBBJFPZSS-HOTGVXAUSA-N 2 1 304.434 2.681 20 0 DFADMP Cc1n[nH]c(C)c1C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000350267920 286023000 /nfs/dbraw/zinc/02/30/00/286023000.db2.gz PDSQYIATNBXXCU-UHFFFAOYSA-N 2 1 313.449 2.770 20 0 DFADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@]2(O)CC[N@H+](C)C2)cc1 ZINC000358255543 148305857 /nfs/dbraw/zinc/30/58/57/148305857.db2.gz RBXOXYOCQBFWJF-RBUKOAKNSA-N 2 1 320.477 2.829 20 0 DFADMP COc1ccc([C@H](CCC(C)C)[NH2+]C[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000358255543 148305861 /nfs/dbraw/zinc/30/58/61/148305861.db2.gz RBXOXYOCQBFWJF-RBUKOAKNSA-N 2 1 320.477 2.829 20 0 DFADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@]2(O)CC[N@H+](C)C2)C1 ZINC000358254425 148306346 /nfs/dbraw/zinc/30/63/46/148306346.db2.gz POIFEZXHWIXLKS-NQYYFHDYSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@H]1C[C@@H](c2ccccc2)C[C@@H]([NH2+]C[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000358254425 148306348 /nfs/dbraw/zinc/30/63/48/148306348.db2.gz POIFEZXHWIXLKS-NQYYFHDYSA-N 2 1 302.462 2.615 20 0 DFADMP CC[C@H]1C[N@H+](Cc2cccc(C(=O)NCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647936997 543510039 /nfs/dbraw/zinc/51/00/39/543510039.db2.gz PECXHEWQIFRQMS-WMZOPIPTSA-N 2 1 317.477 2.632 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2cccc(C(=O)NCC(C)C)c2)CC[C@@H]1[NH3+] ZINC000647936997 543510042 /nfs/dbraw/zinc/51/00/42/543510042.db2.gz PECXHEWQIFRQMS-WMZOPIPTSA-N 2 1 317.477 2.632 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CC[C@@H]2COc3ccccc3O2)[C@@H](C)C1 ZINC000358280753 148316800 /nfs/dbraw/zinc/31/68/00/148316800.db2.gz BUFYIPAVSOGKAQ-XHSDSOJGSA-N 2 1 304.434 2.536 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000358363211 148342933 /nfs/dbraw/zinc/34/29/33/148342933.db2.gz GKJCZWDYBHJGAK-HKUYNNGSSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)nc1 ZINC000358363211 148342935 /nfs/dbraw/zinc/34/29/35/148342935.db2.gz GKJCZWDYBHJGAK-HKUYNNGSSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1n[nH]cc1C[N@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000350556397 286057955 /nfs/dbraw/zinc/05/79/55/286057955.db2.gz LXKNRFXLHOEYIU-MJGOQNOKSA-N 2 1 312.461 2.890 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@H]([NH+]3CCCC3)C2)c1C ZINC000360253558 148834336 /nfs/dbraw/zinc/83/43/36/148834336.db2.gz IMWABXIBDWSOHV-INIZCTEOSA-N 2 1 303.450 2.767 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1 ZINC000360985815 149000079 /nfs/dbraw/zinc/00/00/79/149000079.db2.gz YPFAKFHFANAKKE-UHFFFAOYSA-N 2 1 315.417 2.937 20 0 DFADMP Fc1ccccc1N1CC[C@H](C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)C1 ZINC000361009705 149007563 /nfs/dbraw/zinc/00/75/63/149007563.db2.gz MHEQKKFHDQGOLT-BRWVUGGUSA-N 2 1 317.452 2.868 20 0 DFADMP C[C@@H](NC[C@@]1(O)CC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025942 149010872 /nfs/dbraw/zinc/01/08/72/149010872.db2.gz PYSTUJLKIBBTOW-KDOFPFPSSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@@H](NC[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025942 149010875 /nfs/dbraw/zinc/01/08/75/149010875.db2.gz PYSTUJLKIBBTOW-KDOFPFPSSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025942 149010876 /nfs/dbraw/zinc/01/08/76/149010876.db2.gz PYSTUJLKIBBTOW-KDOFPFPSSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@@H]([NH2+]C[C@@]1(O)CC[N@@H+](C)C1)c1ccc(OC(C)(C)C)cc1 ZINC000361025942 149010879 /nfs/dbraw/zinc/01/08/79/149010879.db2.gz PYSTUJLKIBBTOW-KDOFPFPSSA-N 2 1 306.450 2.581 20 0 DFADMP C[C@H]1C[N@@H+](CCCc2ccsc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000361096648 149027464 /nfs/dbraw/zinc/02/74/64/149027464.db2.gz MHNKWSDSZBXPBZ-WMZOPIPTSA-N 2 1 321.534 2.639 20 0 DFADMP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1 ZINC000361104734 149029200 /nfs/dbraw/zinc/02/92/00/149029200.db2.gz LAYVPGSXYKAWMA-NZSAHSFTSA-N 2 1 312.461 2.944 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C ZINC000361272587 149072694 /nfs/dbraw/zinc/07/26/94/149072694.db2.gz QCWPJXOHIDXZDZ-QZTJIDSGSA-N 2 1 323.525 2.974 20 0 DFADMP CO[C@@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC000660449281 543527822 /nfs/dbraw/zinc/52/78/22/543527822.db2.gz UBXWCTLDZFCWKY-ZCNNSNEGSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@@H](C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC000660449281 543527825 /nfs/dbraw/zinc/52/78/25/543527825.db2.gz UBXWCTLDZFCWKY-ZCNNSNEGSA-N 2 1 314.473 2.865 20 0 DFADMP CO[C@@H](C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC000660449281 543527828 /nfs/dbraw/zinc/52/78/28/543527828.db2.gz UBXWCTLDZFCWKY-ZCNNSNEGSA-N 2 1 314.473 2.865 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1)c1ncnn1C ZINC000361456616 149118985 /nfs/dbraw/zinc/11/89/85/149118985.db2.gz LWUSGJAWWUOMBV-HLLBOEOZSA-N 2 1 313.449 2.519 20 0 DFADMP C[C@H](N[C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1)c1ncnn1C ZINC000361456619 149119809 /nfs/dbraw/zinc/11/98/09/149119809.db2.gz LWUSGJAWWUOMBV-ZOBUZTSGSA-N 2 1 313.449 2.519 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000361460322 149121563 /nfs/dbraw/zinc/12/15/63/149121563.db2.gz UZDOXDJRHNGOCT-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2(CCO)CC2)CC[N@H+]1Cc1ccccc1 ZINC000361460322 149121564 /nfs/dbraw/zinc/12/15/64/149121564.db2.gz UZDOXDJRHNGOCT-AEFFLSMTSA-N 2 1 302.462 2.792 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)C[C@@H]3C)C2)c1 ZINC000361507340 149133876 /nfs/dbraw/zinc/13/38/76/149133876.db2.gz DOHBTVCYGXGPRG-TXPKVOOTSA-N 2 1 317.477 2.594 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@@H+](C)C[C@@H]3C)C2)c1 ZINC000361507340 149133878 /nfs/dbraw/zinc/13/38/78/149133878.db2.gz DOHBTVCYGXGPRG-TXPKVOOTSA-N 2 1 317.477 2.594 20 0 DFADMP Cc1nnc([C@@H](C)[N@@H+]2CCC[C@@H]2Cn2ccnc2C(C)C)o1 ZINC000361667383 149186431 /nfs/dbraw/zinc/18/64/31/149186431.db2.gz PEMANYSEBNVODL-TZMCWYRMSA-N 2 1 303.410 2.924 20 0 DFADMP COC[C@@H](CC(C)C)[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000361964631 149266657 /nfs/dbraw/zinc/26/66/57/149266657.db2.gz BFZKUVNQEPWNJW-QGZVFWFLSA-N 2 1 300.487 2.527 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000361965640 149266698 /nfs/dbraw/zinc/26/66/98/149266698.db2.gz IAPJOIFUBGIBMV-RAUXBKROSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000361965640 149266701 /nfs/dbraw/zinc/26/67/01/149266701.db2.gz IAPJOIFUBGIBMV-RAUXBKROSA-N 2 1 315.505 2.827 20 0 DFADMP CC[NH+]1C[C@H](C)[C@H](N[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000361965640 149266704 /nfs/dbraw/zinc/26/67/04/149266704.db2.gz IAPJOIFUBGIBMV-RAUXBKROSA-N 2 1 315.505 2.827 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC(C[NH+](C)C)CC2)c(F)c1 ZINC000350949260 286101590 /nfs/dbraw/zinc/10/15/90/286101590.db2.gz KOZYTAMKUPYWID-CQSZACIVSA-N 2 1 321.440 2.735 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)cc2)n1 ZINC000351479512 286130581 /nfs/dbraw/zinc/13/05/81/286130581.db2.gz RIZIOUGDKFODCM-WDSOQIARSA-N 2 1 310.445 2.658 20 0 DFADMP CN(C[C@@H](O)C[N@H+]1CCC[C@H]1Cc1ccccc1Cl)C1CC1 ZINC000351443234 286126657 /nfs/dbraw/zinc/12/66/57/286126657.db2.gz LYLZRVHTEFGPIJ-DLBZAZTESA-N 2 1 322.880 2.802 20 0 DFADMP Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)CN(C)C2CC2)c1 ZINC000351442525 286126712 /nfs/dbraw/zinc/12/67/12/286126712.db2.gz LCFHMVVHDZKXMD-LJQANCHMSA-N 2 1 304.478 2.908 20 0 DFADMP Cc1cccc(C[N@H+](CC(C)C)C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000351442525 286126713 /nfs/dbraw/zinc/12/67/13/286126713.db2.gz LCFHMVVHDZKXMD-LJQANCHMSA-N 2 1 304.478 2.908 20 0 DFADMP Cc1cccc(C[N@@H+](CC(C)C)C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000351442525 286126716 /nfs/dbraw/zinc/12/67/16/286126716.db2.gz LCFHMVVHDZKXMD-LJQANCHMSA-N 2 1 304.478 2.908 20 0 DFADMP Cc1cccc(C[NH+](CC(C)C)C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000351442525 286126718 /nfs/dbraw/zinc/12/67/18/286126718.db2.gz LCFHMVVHDZKXMD-LJQANCHMSA-N 2 1 304.478 2.908 20 0 DFADMP Cc1cccc(C[NH+](CC(C)C)C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000351442525 286126722 /nfs/dbraw/zinc/12/67/22/286126722.db2.gz LCFHMVVHDZKXMD-LJQANCHMSA-N 2 1 304.478 2.908 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[N@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351522980 286142889 /nfs/dbraw/zinc/14/28/89/286142889.db2.gz ZTTSNJRQDHFHMQ-IEBWSBKVSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H](O)C[NH+](C)C1CC1 ZINC000351522980 286142890 /nfs/dbraw/zinc/14/28/90/286142890.db2.gz ZTTSNJRQDHFHMQ-IEBWSBKVSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[NH+](C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351522980 286142891 /nfs/dbraw/zinc/14/28/91/286142891.db2.gz ZTTSNJRQDHFHMQ-IEBWSBKVSA-N 2 1 304.478 2.703 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[NH+](C)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000351522980 286142892 /nfs/dbraw/zinc/14/28/92/286142892.db2.gz ZTTSNJRQDHFHMQ-IEBWSBKVSA-N 2 1 304.478 2.703 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000371265709 150012059 /nfs/dbraw/zinc/01/20/59/150012059.db2.gz DJSIHCPWDBPTPW-QZTJIDSGSA-N 2 1 301.478 2.707 20 0 DFADMP C[N@@H+](C[C@H]1CC12CC[NH+](CC[C@@H]1CCC[NH+]1C)CC2)C1CC1 ZINC000371322053 150022973 /nfs/dbraw/zinc/02/29/73/150022973.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 1 305.510 2.667 20 0 DFADMP C[NH+](C[C@H]1CC12CC[NH+](CC[C@@H]1CCC[N@@H+]1C)CC2)C1CC1 ZINC000371322053 150022974 /nfs/dbraw/zinc/02/29/74/150022974.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 1 305.510 2.667 20 0 DFADMP C[NH+](C[C@H]1CC12CC[NH+](CC[C@@H]1CCC[N@H+]1C)CC2)C1CC1 ZINC000371322053 150022977 /nfs/dbraw/zinc/02/29/77/150022977.db2.gz VOKNMIMVMTUVSE-SJORKVTESA-N 2 1 305.510 2.667 20 0 DFADMP CC(C)c1nc(C2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)no1 ZINC000371330483 150025292 /nfs/dbraw/zinc/02/52/92/150025292.db2.gz VFADVGJRVULKFV-OAHLLOKOSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc(C2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)no1 ZINC000371330483 150025298 /nfs/dbraw/zinc/02/52/98/150025298.db2.gz VFADVGJRVULKFV-OAHLLOKOSA-N 2 1 306.454 2.857 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402794 150040533 /nfs/dbraw/zinc/04/05/33/150040533.db2.gz BQMWAMKGOBUAKB-QRQLOZEOSA-N 2 1 322.456 2.993 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1CN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402794 150040537 /nfs/dbraw/zinc/04/05/37/150040537.db2.gz BQMWAMKGOBUAKB-QRQLOZEOSA-N 2 1 322.456 2.993 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1CN1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000371402794 150040540 /nfs/dbraw/zinc/04/05/40/150040540.db2.gz BQMWAMKGOBUAKB-QRQLOZEOSA-N 2 1 322.456 2.993 20 0 DFADMP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000371425896 150044959 /nfs/dbraw/zinc/04/49/59/150044959.db2.gz VHWDRUTVIQPGJK-BEFAXECRSA-N 2 1 319.468 2.987 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371466156 150051340 /nfs/dbraw/zinc/05/13/40/150051340.db2.gz LTSOZFDZDVQROH-NZSAHSFTSA-N 2 1 318.461 2.769 20 0 DFADMP CCOc1cccc(C[N@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000371466156 150051343 /nfs/dbraw/zinc/05/13/43/150051343.db2.gz LTSOZFDZDVQROH-NZSAHSFTSA-N 2 1 318.461 2.769 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000371565861 150065772 /nfs/dbraw/zinc/06/57/72/150065772.db2.gz UJMLZEBFQCOTKN-INIZCTEOSA-N 2 1 307.401 2.686 20 0 DFADMP C[N@H+]1CC[C@@H](CNC(=O)CCCCCC[NH3+])[C@H]1c1cccs1 ZINC000372098241 150137089 /nfs/dbraw/zinc/13/70/89/150137089.db2.gz HXPZTXPAAJOXBR-YOEHRIQHSA-N 2 1 323.506 2.766 20 0 DFADMP COCc1cccc(C[N@@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000372170042 150144495 /nfs/dbraw/zinc/14/44/95/150144495.db2.gz NWYIZSXAIQIXHC-GUDVDZBRSA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[N@H+]2C[C@@H]3C[NH+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000372170042 150144499 /nfs/dbraw/zinc/14/44/99/150144499.db2.gz NWYIZSXAIQIXHC-GUDVDZBRSA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[NH+]2C[C@@H]3C[N@@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000372170042 150144503 /nfs/dbraw/zinc/14/45/03/150144503.db2.gz NWYIZSXAIQIXHC-GUDVDZBRSA-N 2 1 300.446 2.749 20 0 DFADMP COCc1cccc(C[NH+]2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c1 ZINC000372170042 150144506 /nfs/dbraw/zinc/14/45/06/150144506.db2.gz NWYIZSXAIQIXHC-GUDVDZBRSA-N 2 1 300.446 2.749 20 0 DFADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000372254263 150154306 /nfs/dbraw/zinc/15/43/06/150154306.db2.gz DZMNJCWXYYKUSG-INIZCTEOSA-N 2 1 301.438 2.769 20 0 DFADMP Cc1nn(C)c(C)c1[C@@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000372254263 150154308 /nfs/dbraw/zinc/15/43/08/150154308.db2.gz DZMNJCWXYYKUSG-INIZCTEOSA-N 2 1 301.438 2.769 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCO[C@@H](C)C3)sc2C1 ZINC000372352070 150165478 /nfs/dbraw/zinc/16/54/78/150165478.db2.gz WYIJMKUEFMYCSV-KBPBESRZSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCO[C@@H](C)C3)sc2C1 ZINC000372352070 150165481 /nfs/dbraw/zinc/16/54/81/150165481.db2.gz WYIJMKUEFMYCSV-KBPBESRZSA-N 2 1 323.506 2.814 20 0 DFADMP C[N@@H+](Cc1cccc(Cl)c1)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000372368872 150167618 /nfs/dbraw/zinc/16/76/18/150167618.db2.gz LDTBBVYIEGWXTL-GOSISDBHSA-N 2 1 321.896 2.940 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@H](CNc3cc(C)cc[nH+]3)C2)nc1 ZINC000373224306 150251169 /nfs/dbraw/zinc/25/11/69/150251169.db2.gz SAALTLQIIWGVLD-OAHLLOKOSA-N 2 1 312.417 2.728 20 0 DFADMP CO[C@@H]1CC[C@@H]([NH2+]Cc2nc3c(s2)C[N@H+](C(C)C)CC3)C1 ZINC000373762955 150254105 /nfs/dbraw/zinc/25/41/05/150254105.db2.gz KXIBSCNGSLKKQK-CHWSQXEVSA-N 2 1 309.479 2.567 20 0 DFADMP c1cc(CO[C@H]2CC[N@@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000373912585 150277588 /nfs/dbraw/zinc/27/75/88/150277588.db2.gz ORZCUZWDVVGRCG-SFHVURJKSA-N 2 1 303.450 2.549 20 0 DFADMP c1cc(CO[C@H]2CC[N@H+](CCC[NH+]3CCCCC3)C2)ccn1 ZINC000373912585 150277591 /nfs/dbraw/zinc/27/75/91/150277591.db2.gz ORZCUZWDVVGRCG-SFHVURJKSA-N 2 1 303.450 2.549 20 0 DFADMP C[C@@H](c1nc(C2CC2)no1)[N@@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374174280 150316212 /nfs/dbraw/zinc/31/62/12/150316212.db2.gz PEVCKPGVKUYTKJ-ZDUSSCGKSA-N 2 1 304.438 2.816 20 0 DFADMP C[C@@H](c1nc(C2CC2)no1)[N@H+]1CCCC2(CC[NH+](C)CC2)C1 ZINC000374174280 150316215 /nfs/dbraw/zinc/31/62/15/150316215.db2.gz PEVCKPGVKUYTKJ-ZDUSSCGKSA-N 2 1 304.438 2.816 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000374169610 150316333 /nfs/dbraw/zinc/31/63/33/150316333.db2.gz DLMWTDYFKGQPFT-RCCFBDPRSA-N 2 1 305.466 2.987 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@@H]1[C@@H]1CCCC[C@H]1O ZINC000374169610 150316336 /nfs/dbraw/zinc/31/63/36/150316336.db2.gz DLMWTDYFKGQPFT-RCCFBDPRSA-N 2 1 305.466 2.987 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[NH2+]C[C@H]2c2ccccc2)c1C ZINC000261742465 286182529 /nfs/dbraw/zinc/18/25/29/286182529.db2.gz OEYROMYNGXBBDE-SFHVURJKSA-N 2 1 311.429 2.854 20 0 DFADMP Cc1ccc(C)c(C[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@@H]32)c1 ZINC000374431187 150365804 /nfs/dbraw/zinc/36/58/04/150365804.db2.gz WKVUNZDEUYDTTR-CEXWTWQISA-N 2 1 302.462 2.987 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc(OC)c1OC ZINC000157399722 286247277 /nfs/dbraw/zinc/24/72/77/286247277.db2.gz VYSLPPZDHGKHCX-VNHYZAJKSA-N 2 1 322.449 2.846 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc(OC)c1OC ZINC000157399722 286247279 /nfs/dbraw/zinc/24/72/79/286247279.db2.gz VYSLPPZDHGKHCX-VNHYZAJKSA-N 2 1 322.449 2.846 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000281333515 286256605 /nfs/dbraw/zinc/25/66/05/286256605.db2.gz AYTOSBUMDOHQIC-SJKOYZFVSA-N 2 1 315.392 2.913 20 0 DFADMP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000281333515 286256606 /nfs/dbraw/zinc/25/66/06/286256606.db2.gz AYTOSBUMDOHQIC-SJKOYZFVSA-N 2 1 315.392 2.913 20 0 DFADMP C[N@@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352023001 286272053 /nfs/dbraw/zinc/27/20/53/286272053.db2.gz STLWEWLKXRWCCC-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352023001 286272055 /nfs/dbraw/zinc/27/20/55/286272055.db2.gz STLWEWLKXRWCCC-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352023001 286272057 /nfs/dbraw/zinc/27/20/57/286272057.db2.gz STLWEWLKXRWCCC-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000352023001 286272058 /nfs/dbraw/zinc/27/20/58/286272058.db2.gz STLWEWLKXRWCCC-PKOBYXMFSA-N 2 1 300.446 2.992 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000352130392 286299675 /nfs/dbraw/zinc/29/96/75/286299675.db2.gz YYQSVNJKZZIMMI-MSOLQXFVSA-N 2 1 317.477 2.544 20 0 DFADMP CCOC(=O)C(C)(C)C1CC[NH+](CC[C@H]2CCC[N@H+]2C)CC1 ZINC000352187764 286314973 /nfs/dbraw/zinc/31/49/73/286314973.db2.gz UOYNQDDLLJREET-MRXNPFEDSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)C(C)(C)C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000352187763 286315066 /nfs/dbraw/zinc/31/50/66/286315066.db2.gz UOYNQDDLLJREET-INIZCTEOSA-N 2 1 310.482 2.772 20 0 DFADMP Cc1ccc2nc(C[N@@H+](CCC[NH3+])CC3CCCC3)cn2c1 ZINC000352526543 286398395 /nfs/dbraw/zinc/39/83/95/286398395.db2.gz OUKMWAZGJQKIOJ-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)s1 ZINC000352760339 286460056 /nfs/dbraw/zinc/46/00/56/286460056.db2.gz OQLVAEDCMWBYIC-CYBMUJFWSA-N 2 1 309.479 2.786 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]CC2Cc3ccccc3C2)s1 ZINC000352761375 286460329 /nfs/dbraw/zinc/46/03/29/286460329.db2.gz WWIFRWSQMAVHIH-UHFFFAOYSA-N 2 1 301.459 2.709 20 0 DFADMP CCC(CC)[C@H](CNCc1ncc(C[NH+](C)C)s1)[NH+](C)C ZINC000352779189 286465292 /nfs/dbraw/zinc/46/52/92/286465292.db2.gz KJVUUMGTYSYFGU-HNNXBMFYSA-N 2 1 312.527 2.661 20 0 DFADMP Cc1cc(C)cc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182892742 158010217 /nfs/dbraw/zinc/01/02/17/158010217.db2.gz KIFAINCEPZSHAE-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP Cc1cc(C)cc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)c1 ZINC000182892742 158010219 /nfs/dbraw/zinc/01/02/19/158010219.db2.gz KIFAINCEPZSHAE-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCCc2ccc(F)cc21 ZINC000182963067 158011292 /nfs/dbraw/zinc/01/12/92/158011292.db2.gz AZIUVPNCYZMMQC-LJQANCHMSA-N 2 1 319.468 2.772 20 0 DFADMP O[C@H](C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000246433299 158091526 /nfs/dbraw/zinc/09/15/26/158091526.db2.gz CSPOKGNKBPTMOP-GDIGMMSISA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)c1ccccc1F ZINC000246433299 158091527 /nfs/dbraw/zinc/09/15/27/158091527.db2.gz CSPOKGNKBPTMOP-GDIGMMSISA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)c1ccccc1F ZINC000246433299 158091528 /nfs/dbraw/zinc/09/15/28/158091528.db2.gz CSPOKGNKBPTMOP-GDIGMMSISA-N 2 1 318.436 2.808 20 0 DFADMP O[C@H](C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1)c1ccccc1F ZINC000246433299 158091530 /nfs/dbraw/zinc/09/15/30/158091530.db2.gz CSPOKGNKBPTMOP-GDIGMMSISA-N 2 1 318.436 2.808 20 0 DFADMP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000246485120 158094190 /nfs/dbraw/zinc/09/41/90/158094190.db2.gz RMXOJGCYTVLYJH-GDBMZVCRSA-N 2 1 315.465 2.729 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)C1 ZINC000246485120 158094191 /nfs/dbraw/zinc/09/41/91/158094191.db2.gz RMXOJGCYTVLYJH-GDBMZVCRSA-N 2 1 315.465 2.729 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246491538 158094255 /nfs/dbraw/zinc/09/42/55/158094255.db2.gz RZPKWAIMSBLXCG-WMZOPIPTSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2cncc(C)c2)[C@@H](C)C1 ZINC000246491538 158094257 /nfs/dbraw/zinc/09/42/57/158094257.db2.gz RZPKWAIMSBLXCG-WMZOPIPTSA-N 2 1 305.466 2.617 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000246870064 158103813 /nfs/dbraw/zinc/10/38/13/158103813.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246870064 158103815 /nfs/dbraw/zinc/10/38/15/158103815.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 3 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246870064 158103817 /nfs/dbraw/zinc/10/38/17/158103817.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 3 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000246870064 158103818 /nfs/dbraw/zinc/10/38/18/158103818.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[NH+](C)C[C@H]2C)c1 ZINC000246870064 158103820 /nfs/dbraw/zinc/10/38/20/158103820.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000246870064 158103821 /nfs/dbraw/zinc/10/38/21/158103821.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000246870064 158103823 /nfs/dbraw/zinc/10/38/23/158103823.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000246870064 158103825 /nfs/dbraw/zinc/10/38/25/158103825.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 2 1 303.494 2.957 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C)C[C@H]2C)c1 ZINC000246870064 158103827 /nfs/dbraw/zinc/10/38/27/158103827.db2.gz CNGQMXDZHMQNAK-GPMSIDNRSA-N 2 1 303.494 2.957 20 0 DFADMP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@@H+](CC)C[C@@H]1C)c1ccco1 ZINC000246936819 158106561 /nfs/dbraw/zinc/10/65/61/158106561.db2.gz HKJAGIGKZUXYTG-ULQDDVLXSA-N 2 1 307.482 2.982 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246944344 158106622 /nfs/dbraw/zinc/10/66/22/158106622.db2.gz HUBJROOUUKEGPK-IAGOWNOFSA-N 3 1 319.493 2.619 20 0 DFADMP CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246944344 158106625 /nfs/dbraw/zinc/10/66/25/158106625.db2.gz HUBJROOUUKEGPK-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246944344 158106627 /nfs/dbraw/zinc/10/66/27/158106627.db2.gz HUBJROOUUKEGPK-IAGOWNOFSA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(Cn3cccn3)c2)[C@@H](C)C1 ZINC000246961908 158108403 /nfs/dbraw/zinc/10/84/03/158108403.db2.gz IPJLUASVDXBBGW-QFBILLFUSA-N 2 1 312.461 2.751 20 0 DFADMP O[C@@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000246969409 158110499 /nfs/dbraw/zinc/11/04/99/158110499.db2.gz GQCVCSUSTNDUSR-MOPGFXCFSA-N 2 1 302.462 2.540 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000246968523 158110637 /nfs/dbraw/zinc/11/06/37/158110637.db2.gz FYUWYNRXFZFPHP-SZMVWBNQSA-N 2 1 317.477 2.524 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N[C@H]1C[NH+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000246968523 158110638 /nfs/dbraw/zinc/11/06/38/158110638.db2.gz FYUWYNRXFZFPHP-SZMVWBNQSA-N 2 1 317.477 2.524 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000246968523 158110640 /nfs/dbraw/zinc/11/06/40/158110640.db2.gz FYUWYNRXFZFPHP-SZMVWBNQSA-N 2 1 317.477 2.524 20 0 DFADMP CC[NH+](C)[C@H](C(=O)N[C@H]1C[N@H+](C(C)C)C[C@@H]1C)c1ccccc1 ZINC000246968523 158110641 /nfs/dbraw/zinc/11/06/41/158110641.db2.gz FYUWYNRXFZFPHP-SZMVWBNQSA-N 2 1 317.477 2.524 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000246978948 158111576 /nfs/dbraw/zinc/11/15/76/158111576.db2.gz SGNAVPHLYMNUOK-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[N@H+](C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246978948 158111580 /nfs/dbraw/zinc/11/15/80/158111580.db2.gz SGNAVPHLYMNUOK-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[NH+](C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246978948 158111588 /nfs/dbraw/zinc/11/15/88/158111588.db2.gz SGNAVPHLYMNUOK-HOTGVXAUSA-N 2 1 306.450 2.879 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](C3CC3)C2)CC[N@H+]1Cc1ccccc1 ZINC000247034115 158115110 /nfs/dbraw/zinc/11/51/10/158115110.db2.gz NTVQOUAGZQGSPI-NEWSRXKRSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000247034115 158115113 /nfs/dbraw/zinc/11/51/13/158115113.db2.gz NTVQOUAGZQGSPI-NEWSRXKRSA-N 2 1 313.489 2.866 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H]2CC[N@H+](C3CC3)C2)CC[NH+]1Cc1ccccc1 ZINC000247034115 158115115 /nfs/dbraw/zinc/11/51/15/158115115.db2.gz NTVQOUAGZQGSPI-NEWSRXKRSA-N 2 1 313.489 2.866 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCCc2ccc(OC)c(OC)c2)[C@@H](C)C1 ZINC000247174248 158122366 /nfs/dbraw/zinc/12/23/66/158122366.db2.gz UUAIYGPWSZESNC-RDJZCZTQSA-N 2 1 320.477 2.956 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCCc4ccccc43)C2)CC1 ZINC000247403773 158133600 /nfs/dbraw/zinc/13/36/00/158133600.db2.gz RTLJLVAYGLXUPO-ICSRJNTNSA-N 2 1 313.489 2.776 20 0 DFADMP COC(=O)c1cc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)s1 ZINC000247935423 158153359 /nfs/dbraw/zinc/15/33/59/158153359.db2.gz CKGAGDXAKGEPLK-DZGCQCFKSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c(C)s1 ZINC000247935423 158153361 /nfs/dbraw/zinc/15/33/61/158153361.db2.gz CKGAGDXAKGEPLK-DZGCQCFKSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)c(C)s1 ZINC000247935423 158153364 /nfs/dbraw/zinc/15/33/64/158153364.db2.gz CKGAGDXAKGEPLK-DZGCQCFKSA-N 2 1 322.474 2.759 20 0 DFADMP COC(=O)c1cc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)c(C)s1 ZINC000247935423 158153366 /nfs/dbraw/zinc/15/33/66/158153366.db2.gz CKGAGDXAKGEPLK-DZGCQCFKSA-N 2 1 322.474 2.759 20 0 DFADMP CC[N@H+]1CC[C@H](NCCC[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029087 158156354 /nfs/dbraw/zinc/15/63/54/158156354.db2.gz PYTUJFAAPAAOBP-HKUYNNGSSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NCCC[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029087 158156356 /nfs/dbraw/zinc/15/63/56/158156356.db2.gz PYTUJFAAPAAOBP-HKUYNNGSSA-N 2 1 303.494 2.828 20 0 DFADMP CC[NH+]1CC[C@H](NCCC[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000248029087 158156359 /nfs/dbraw/zinc/15/63/59/158156359.db2.gz PYTUJFAAPAAOBP-HKUYNNGSSA-N 2 1 303.494 2.828 20 0 DFADMP CC(C)C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccccn1 ZINC000248155883 158162726 /nfs/dbraw/zinc/16/27/26/158162726.db2.gz RJCPJEYUKUIRPM-PKOBYXMFSA-N 2 1 319.493 2.995 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CC2 ZINC000248170130 158163190 /nfs/dbraw/zinc/16/31/90/158163190.db2.gz UPHMDEXOSSRUPH-PKOBYXMFSA-N 2 1 302.462 2.809 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1 ZINC000248201709 158164115 /nfs/dbraw/zinc/16/41/15/158164115.db2.gz YXSDLPXEHBWKLD-WBVHZDCISA-N 2 1 306.450 2.583 20 0 DFADMP C[N@H+]1CCC[C@@H]2CN(CC(=O)Nc3cccc(Cl)c3)CC[C@H]21 ZINC000248186258 158164960 /nfs/dbraw/zinc/16/49/60/158164960.db2.gz XKWQMVVQWFCXOV-CZUORRHYSA-N 2 1 321.852 2.695 20 0 DFADMP c1cn(CC[NH2+][C@@H]2CCC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000248410562 158174041 /nfs/dbraw/zinc/17/40/41/158174041.db2.gz YDMPTQOCRNZBNN-SLFFLAALSA-N 2 1 324.472 2.773 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccccc2C[NH2+]C[C@@H]2CC=CCC2)C1 ZINC000248440379 158176394 /nfs/dbraw/zinc/17/63/94/158176394.db2.gz JJWQNOBJTIOSEJ-VQIMIIECSA-N 2 1 300.446 2.699 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000248583124 158185872 /nfs/dbraw/zinc/18/58/72/158185872.db2.gz WOBKMHWOVIVDIS-OMQSBVIBSA-N 2 1 314.473 2.790 20 0 DFADMP COC[C@H]([NH2+]CCCn1cc[nH+]c1C)c1ccc(F)c(F)c1 ZINC000271651292 158210578 /nfs/dbraw/zinc/21/05/78/158210578.db2.gz BGISYSAMCBVJSY-INIZCTEOSA-N 2 1 309.360 2.837 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354919007 158244633 /nfs/dbraw/zinc/24/46/33/158244633.db2.gz WCLLHEGCAACJGI-KRWDZBQOSA-N 2 1 321.509 2.655 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354919007 158244636 /nfs/dbraw/zinc/24/46/36/158244636.db2.gz WCLLHEGCAACJGI-KRWDZBQOSA-N 2 1 321.509 2.655 20 0 DFADMP CC[NH+]1CCCC[C@H]1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354919007 158244638 /nfs/dbraw/zinc/24/46/38/158244638.db2.gz WCLLHEGCAACJGI-KRWDZBQOSA-N 2 1 321.509 2.655 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CC[N@@H+]1Cc1ccccc1 ZINC000355053869 158262296 /nfs/dbraw/zinc/26/22/96/158262296.db2.gz IMMCMVREIBFNQJ-VQIMIIECSA-N 2 1 312.461 2.605 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2ccn(C)n2)CC[N@H+]1Cc1ccccc1 ZINC000355053869 158262297 /nfs/dbraw/zinc/26/22/97/158262297.db2.gz IMMCMVREIBFNQJ-VQIMIIECSA-N 2 1 312.461 2.605 20 0 DFADMP CC[C@H]1C[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000355202229 158296744 /nfs/dbraw/zinc/29/67/44/158296744.db2.gz UNJAPTBFBIXUTQ-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@H]1C[N@@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C[C@H]1O ZINC000355202229 158296745 /nfs/dbraw/zinc/29/67/45/158296745.db2.gz UNJAPTBFBIXUTQ-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@H]1C[NH+](CC(C)(C)C[N@H+](C)Cc2ccccc2)C[C@H]1O ZINC000355202229 158296747 /nfs/dbraw/zinc/29/67/47/158296747.db2.gz UNJAPTBFBIXUTQ-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP CC[C@H]1C[NH+](CC(C)(C)C[N@@H+](C)Cc2ccccc2)C[C@H]1O ZINC000355202229 158296748 /nfs/dbraw/zinc/29/67/48/158296748.db2.gz UNJAPTBFBIXUTQ-ZWKOTPCHSA-N 2 1 304.478 2.847 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@@H]1C)c1nc(-c2ccccc2)no1 ZINC000358376798 158372779 /nfs/dbraw/zinc/37/27/79/158372779.db2.gz SULWTAPPARYECR-IJEWVQPXSA-N 2 1 314.433 2.770 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000358390152 158376434 /nfs/dbraw/zinc/37/64/34/158376434.db2.gz XOPLJXVGRPLAQN-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[NH+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358390152 158376437 /nfs/dbraw/zinc/37/64/37/158376437.db2.gz XOPLJXVGRPLAQN-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1C[NH+](C)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358390152 158376439 /nfs/dbraw/zinc/37/64/39/158376439.db2.gz XOPLJXVGRPLAQN-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000358390152 158376441 /nfs/dbraw/zinc/37/64/41/158376441.db2.gz XOPLJXVGRPLAQN-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[C@H]1CN(C)C[C@@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000358390152 158376442 /nfs/dbraw/zinc/37/64/42/158376442.db2.gz XOPLJXVGRPLAQN-VNVJMFPYSA-N 2 1 313.489 2.722 20 0 DFADMP C[NH2+]CC1CC[NH+]([C@@H](C)C(=O)Nc2ccccc2SC)CC1 ZINC000430928423 296812723 /nfs/dbraw/zinc/81/27/23/296812723.db2.gz LMCDMDSWZQCTGA-ZDUSSCGKSA-N 2 1 321.490 2.667 20 0 DFADMP C[C@H](c1nc(-c2cccs2)no1)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000430938156 296813517 /nfs/dbraw/zinc/81/35/17/296813517.db2.gz APZUNSMBVWAPDF-WDEREUQCSA-N 2 1 306.435 2.918 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC000431033583 296818773 /nfs/dbraw/zinc/81/87/73/296818773.db2.gz QEDLJMSNGCRRKE-CQSZACIVSA-N 2 1 319.424 2.537 20 0 DFADMP Cc1ccc(NC(=O)[C@H](C)[NH+]2CCC3(CC[NH2+]C3)CC2)c(F)c1 ZINC000431033581 296818803 /nfs/dbraw/zinc/81/88/03/296818803.db2.gz QEDLJMSNGCRRKE-AWEZNQCLSA-N 2 1 319.424 2.537 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC000354409400 287013021 /nfs/dbraw/zinc/01/30/21/287013021.db2.gz SLFLIVVDYIUAQE-MSOLQXFVSA-N 2 1 323.525 2.878 20 0 DFADMP CO[C@@H]1CC[NH+](C[C@@H](C)C[N@@H+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441373854 297181692 /nfs/dbraw/zinc/18/16/92/297181692.db2.gz CJOVXANROZFGMP-PECIQYQJSA-N 2 1 312.498 2.621 20 0 DFADMP CO[C@@H]1CC[N@@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441373854 297181694 /nfs/dbraw/zinc/18/16/94/297181694.db2.gz CJOVXANROZFGMP-PECIQYQJSA-N 2 1 312.498 2.621 20 0 DFADMP CO[C@@H]1CC[N@H+](C[C@@H](C)C[NH+]2CC[C@H](OC)C[C@H]2C)[C@@H](C)C1 ZINC000441373854 297181696 /nfs/dbraw/zinc/18/16/96/297181696.db2.gz CJOVXANROZFGMP-PECIQYQJSA-N 2 1 312.498 2.621 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H]1CCCC[C@H]1n1cccn1 ZINC000128985489 196009853 /nfs/dbraw/zinc/00/98/53/196009853.db2.gz GTPQGZXKSKXPFR-DLBZAZTESA-N 2 1 301.438 2.942 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000130851558 196115478 /nfs/dbraw/zinc/11/54/78/196115478.db2.gz RNBCXLTUYOTFEW-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(-n2ccnc2)cc1 ZINC000130851558 196115480 /nfs/dbraw/zinc/11/54/80/196115480.db2.gz RNBCXLTUYOTFEW-UHFFFAOYSA-N 2 1 309.417 2.899 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@@H+](CC)C1CC1)c1ccsc1 ZINC000131052606 196135969 /nfs/dbraw/zinc/13/59/69/196135969.db2.gz CSPZSYYEJCVGPX-MRXNPFEDSA-N 2 1 323.506 2.732 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCn2ccnc2)CC[N@@H+]1Cc1ccccc1 ZINC000131782372 196198750 /nfs/dbraw/zinc/19/87/50/196198750.db2.gz SAPYDSBSJNRROV-IEBWSBKVSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)CCn2ccnc2)CC[N@H+]1Cc1ccccc1 ZINC000131782372 196198752 /nfs/dbraw/zinc/19/87/52/196198752.db2.gz SAPYDSBSJNRROV-IEBWSBKVSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)CCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000131782372 196198754 /nfs/dbraw/zinc/19/87/54/196198754.db2.gz SAPYDSBSJNRROV-IEBWSBKVSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)CCn2ccnc2)CC[NH+]1Cc1ccccc1 ZINC000131782372 196198756 /nfs/dbraw/zinc/19/87/56/196198756.db2.gz SAPYDSBSJNRROV-IEBWSBKVSA-N 2 1 312.461 2.868 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2nccn2Cc2ccccc2)CC[N@H+]1C ZINC000132128650 196228261 /nfs/dbraw/zinc/22/82/61/196228261.db2.gz QTDWSMKAISZXJQ-SJLPKXTDSA-N 2 1 312.461 2.546 20 0 DFADMP CCOc1ccccc1C[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271633613 209079477 /nfs/dbraw/zinc/07/94/77/209079477.db2.gz HCGJCRZTZGRJGQ-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP CCOc1ccccc1C[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000271633613 209079481 /nfs/dbraw/zinc/07/94/81/209079481.db2.gz HCGJCRZTZGRJGQ-UHFFFAOYSA-N 2 1 319.493 2.543 20 0 DFADMP COc1ccccc1[C@@H](C)[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000132914223 196295993 /nfs/dbraw/zinc/29/59/93/196295993.db2.gz ZFFPUFIOUCXBEO-CVEARBPZSA-N 2 1 318.461 2.847 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])C1 ZINC000261765149 287272011 /nfs/dbraw/zinc/27/20/11/287272011.db2.gz NXHJFKRXDKXPBR-VSZNYVQBSA-N 2 1 321.509 2.617 20 0 DFADMP Cc1cc(N(CC[NH+](C)C)Cc2ccc(F)c(F)c2)nc(C)[nH+]1 ZINC000133322726 196329476 /nfs/dbraw/zinc/32/94/76/196329476.db2.gz PZYBCIZTZOUJQL-UHFFFAOYSA-N 2 1 320.387 2.940 20 0 DFADMP CC[N@@H+](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)C1CC1 ZINC000134244069 196374189 /nfs/dbraw/zinc/37/41/89/196374189.db2.gz GOYGXYCPFRUYQO-UHFFFAOYSA-N 2 1 301.434 2.705 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@@H+](C)[C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000377633475 287306363 /nfs/dbraw/zinc/30/63/63/287306363.db2.gz UVFHYBGRLHPFGT-ZIFCJYIRSA-N 2 1 307.526 2.913 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@H](CN2CC[NH+](C)CC2)C1 ZINC000377623455 287307373 /nfs/dbraw/zinc/30/73/73/287307373.db2.gz JLNXYIFPNSZPOR-QRVBRYPASA-N 2 1 307.526 2.772 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@H]1CCCN(Cc2cnn3c2CCC3)C1 ZINC000667561238 543630816 /nfs/dbraw/zinc/63/08/16/543630816.db2.gz PRVFFXBSNCBFRL-IRXDYDNUSA-N 2 1 316.493 2.916 20 0 DFADMP C[NH+](Cc1ccc(O[C@@H]2CCOC2)cc1)C[C@H]1CCC[N@@H+](C)C1 ZINC000667518346 543621130 /nfs/dbraw/zinc/62/11/30/543621130.db2.gz XTCVWSCAVSOIMZ-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C3CCC3)cnn2C)[C@@H](C)C1 ZINC000667666245 543655070 /nfs/dbraw/zinc/65/50/70/543655070.db2.gz GWWCTGABSYJPTK-WMLDXEAASA-N 2 1 304.482 2.850 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2c(C(F)(F)F)cnn2C)[C@H](C)C1 ZINC000667666084 543655076 /nfs/dbraw/zinc/65/50/76/543655076.db2.gz BXPHXPBNJCFXEG-DGCLKSJQSA-N 2 1 318.387 2.601 20 0 DFADMP CC[NH+](CC)CCN(CCC(F)(F)F)Cc1c[nH+]c(C)n1C ZINC000667683319 543659472 /nfs/dbraw/zinc/65/94/72/543659472.db2.gz LZVVSTQOQHCKCA-UHFFFAOYSA-N 2 1 320.403 2.825 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@@](O)(Cc3cccc(Cl)c3)C2)n1C ZINC000667712756 543665031 /nfs/dbraw/zinc/66/50/31/543665031.db2.gz OVLATNZTGAUWRC-QGZVFWFLSA-N 2 1 319.836 2.561 20 0 DFADMP C[N@H+](CCC[NH+]1CCCC1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668100152 543739619 /nfs/dbraw/zinc/73/96/19/543739619.db2.gz DKAMZGHKMCHLQH-IBGZPJMESA-N 2 1 318.461 2.772 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000668100152 543739622 /nfs/dbraw/zinc/73/96/22/543739622.db2.gz DKAMZGHKMCHLQH-IBGZPJMESA-N 2 1 318.461 2.772 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@@H]2[C@@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000668270838 543781178 /nfs/dbraw/zinc/78/11/78/543781178.db2.gz PSJKDSRLFFEYSN-CRAIPNDOSA-N 2 1 312.417 2.658 20 0 DFADMP c1cc(C[N@H+]2CCC[C@@H]2[C@@H]2CCCOC2)n(-c2cc[nH+]cc2)n1 ZINC000668270838 543781180 /nfs/dbraw/zinc/78/11/80/543781180.db2.gz PSJKDSRLFFEYSN-CRAIPNDOSA-N 2 1 312.417 2.658 20 0 DFADMP Cc1[nH+]cc(CN(CC[NH+](C)C)Cc2ccc(F)cc2F)n1C ZINC000668159994 543754261 /nfs/dbraw/zinc/75/42/61/543754261.db2.gz OUHDRHKUQNLTJG-UHFFFAOYSA-N 2 1 322.403 2.571 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172857 543759202 /nfs/dbraw/zinc/75/92/02/543759202.db2.gz VFBGTFINUUTSBP-LZQZEXGQSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172857 543759205 /nfs/dbraw/zinc/75/92/05/543759205.db2.gz VFBGTFINUUTSBP-LZQZEXGQSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172857 543759206 /nfs/dbraw/zinc/75/92/06/543759206.db2.gz VFBGTFINUUTSBP-LZQZEXGQSA-N 2 1 318.461 2.626 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@@H]1[N@@H+](C)Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000668172857 543759209 /nfs/dbraw/zinc/75/92/09/543759209.db2.gz VFBGTFINUUTSBP-LZQZEXGQSA-N 2 1 318.461 2.626 20 0 DFADMP Cc1cccc2[nH]c(C[N@H+](C)CCCN(C)CC[NH+](C)C)cc21 ZINC000668176482 543760074 /nfs/dbraw/zinc/76/00/74/543760074.db2.gz WXZSJJNVWURMCV-UHFFFAOYSA-N 2 1 316.493 2.792 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]4C[C@@H]43)cc2)C1 ZINC000668489012 543813998 /nfs/dbraw/zinc/81/39/98/543813998.db2.gz JBPZBOJLFPTPRG-YRXWBPOGSA-N 2 1 300.446 2.531 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000668540044 543820490 /nfs/dbraw/zinc/82/04/90/543820490.db2.gz VBHZPSHLCKOMQI-UHFFFAOYSA-N 2 1 320.330 2.760 20 0 DFADMP CN(Cc1ccc(OCC(F)(F)F)c(F)c1)CC1C[NH+](C)C1 ZINC000668540044 543820493 /nfs/dbraw/zinc/82/04/93/543820493.db2.gz VBHZPSHLCKOMQI-UHFFFAOYSA-N 2 1 320.330 2.760 20 0 DFADMP CN1CC(C[N@H+](C)Cc2cccc(Br)c2F)C1 ZINC000668538984 543820531 /nfs/dbraw/zinc/82/05/31/543820531.db2.gz JBMOUFMTCGXAGV-UHFFFAOYSA-N 2 1 301.203 2.582 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2cccc(Br)c2F)C1 ZINC000668538984 543820535 /nfs/dbraw/zinc/82/05/35/543820535.db2.gz JBMOUFMTCGXAGV-UHFFFAOYSA-N 2 1 301.203 2.582 20 0 DFADMP CN1CC(C[N@H+](C)Cc2cnc(CCc3ccccc3)s2)C1 ZINC000668538595 543821522 /nfs/dbraw/zinc/82/15/22/543821522.db2.gz DVXJNJAXUHULDH-UHFFFAOYSA-N 2 1 315.486 2.922 20 0 DFADMP CN1CC(C[N@@H+](C)Cc2cnc(CCc3ccccc3)s2)C1 ZINC000668538595 543821523 /nfs/dbraw/zinc/82/15/23/543821523.db2.gz DVXJNJAXUHULDH-UHFFFAOYSA-N 2 1 315.486 2.922 20 0 DFADMP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668566748 543827993 /nfs/dbraw/zinc/82/79/93/543827993.db2.gz PAWTVXKUSWGZBI-GOSISDBHSA-N 2 1 324.472 2.578 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@@H]1CCN(Cc2c[nH+]c3n2CCC3)C1 ZINC000668566748 543827995 /nfs/dbraw/zinc/82/79/95/543827995.db2.gz PAWTVXKUSWGZBI-GOSISDBHSA-N 2 1 324.472 2.578 20 0 DFADMP C[C@H](CCc1ccccc1)C[NH+]1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000668739177 543858183 /nfs/dbraw/zinc/85/81/83/543858183.db2.gz KAGBDOGDMKPFCP-XLIONFOSSA-N 2 1 316.489 2.786 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](Cc2ccc3cnccc3c2)CCO1 ZINC000668784780 543866823 /nfs/dbraw/zinc/86/68/23/543866823.db2.gz IBADCDUKPGUTTR-IBGZPJMESA-N 2 1 313.445 2.777 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](Cc2ccc3cnccc3c2)CCO1 ZINC000668784780 543866824 /nfs/dbraw/zinc/86/68/24/543866824.db2.gz IBADCDUKPGUTTR-IBGZPJMESA-N 2 1 313.445 2.777 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc(C)c1O ZINC000668785260 543866961 /nfs/dbraw/zinc/86/69/61/543866961.db2.gz OWZGENWCGDCNGR-QGZVFWFLSA-N 2 1 306.450 2.552 20 0 DFADMP Cc1cc(C[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc(C)c1O ZINC000668785260 543866962 /nfs/dbraw/zinc/86/69/62/543866962.db2.gz OWZGENWCGDCNGR-QGZVFWFLSA-N 2 1 306.450 2.552 20 0 DFADMP COc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000668785399 543867868 /nfs/dbraw/zinc/86/78/68/543867868.db2.gz PWNDWNKJEUMKIW-KRWDZBQOSA-N 2 1 306.450 2.546 20 0 DFADMP COc1ccc(C[N@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000668785399 543867871 /nfs/dbraw/zinc/86/78/71/543867871.db2.gz PWNDWNKJEUMKIW-KRWDZBQOSA-N 2 1 306.450 2.546 20 0 DFADMP C[C@H]1CCc2ccccc2[C@H]1[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000669618793 543976119 /nfs/dbraw/zinc/97/61/19/543976119.db2.gz PMTDOSAQLWKOJF-LPHOPBHVSA-N 2 1 315.505 2.926 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2[nH]c(=O)oc2c1 ZINC000671740772 544104356 /nfs/dbraw/zinc/10/43/56/544104356.db2.gz COVJLNGVBWMHNO-NEPJUHHUSA-N 2 1 301.390 2.668 20 0 DFADMP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1 ZINC000671742063 544105462 /nfs/dbraw/zinc/10/54/62/544105462.db2.gz WTENCXZTZVTJDU-WOJBJXKFSA-N 2 1 315.505 2.958 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@@H](CO)c1ccc(Cl)cc1 ZINC000673617952 544186947 /nfs/dbraw/zinc/18/69/47/544186947.db2.gz PNUSPGSBJLZFJH-HNNXBMFYSA-N 2 1 319.836 2.667 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H]2COc3ccccc3O2)C[C@@H]1C ZINC000674047786 544215697 /nfs/dbraw/zinc/21/56/97/544215697.db2.gz PKUQOYVTZWTYDE-HRCADAONSA-N 2 1 304.434 2.631 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H]2COc3ccccc3O2)C[C@@H]1C ZINC000674047786 544215699 /nfs/dbraw/zinc/21/56/99/544215699.db2.gz PKUQOYVTZWTYDE-HRCADAONSA-N 2 1 304.434 2.631 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H]2COc3ccccc3O2)C[C@@H]1C ZINC000674047786 544215702 /nfs/dbraw/zinc/21/57/02/544215702.db2.gz PKUQOYVTZWTYDE-HRCADAONSA-N 2 1 304.434 2.631 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H]2COc3ccccc3O2)C[C@@H]1C ZINC000674047786 544215704 /nfs/dbraw/zinc/21/57/04/544215704.db2.gz PKUQOYVTZWTYDE-HRCADAONSA-N 2 1 304.434 2.631 20 0 DFADMP C[C@H](C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1)C1CCCC1 ZINC000674084154 544218613 /nfs/dbraw/zinc/21/86/13/544218613.db2.gz AZUVSYNXYFHCJQ-AWEZNQCLSA-N 2 1 316.449 2.598 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccccc2C2CC2)CC1 ZINC000674334547 544232209 /nfs/dbraw/zinc/23/22/09/544232209.db2.gz VNSVHVULPMXHQP-UHFFFAOYSA-N 2 1 301.478 2.681 20 0 DFADMP CCOc1cc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)ccc1O ZINC000297471614 227212172 /nfs/dbraw/zinc/21/21/72/227212172.db2.gz RFRXRIOKIWDQHY-HOTGVXAUSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)ccc1O ZINC000297471614 227212178 /nfs/dbraw/zinc/21/21/78/227212178.db2.gz RFRXRIOKIWDQHY-HOTGVXAUSA-N 2 1 304.434 2.707 20 0 DFADMP CCOc1cc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)ccc1O ZINC000297471614 227212182 /nfs/dbraw/zinc/21/21/82/227212182.db2.gz RFRXRIOKIWDQHY-HOTGVXAUSA-N 2 1 304.434 2.707 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@@H]2C1 ZINC000675491112 544315831 /nfs/dbraw/zinc/31/58/31/544315831.db2.gz PEKDKQMKPCITOE-GBESFXJTSA-N 2 1 313.489 2.929 20 0 DFADMP Cc1nccc([C@@H]2CCC[NH+](CC[C@H]3CCCC[N@H+]3C)C2)n1 ZINC000675492837 544315953 /nfs/dbraw/zinc/31/59/53/544315953.db2.gz GNNORRIFVHCRSM-IAGOWNOFSA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@@H]2CCC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)n1 ZINC000675492837 544315955 /nfs/dbraw/zinc/31/59/55/544315955.db2.gz GNNORRIFVHCRSM-IAGOWNOFSA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@@H]2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000675492837 544315957 /nfs/dbraw/zinc/31/59/57/544315957.db2.gz GNNORRIFVHCRSM-IAGOWNOFSA-N 2 1 302.466 2.839 20 0 DFADMP Cc1nccc([C@@H]2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)n1 ZINC000675492837 544315960 /nfs/dbraw/zinc/31/59/60/544315960.db2.gz GNNORRIFVHCRSM-IAGOWNOFSA-N 2 1 302.466 2.839 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cn2)[C@@H](C)C1 ZINC000675552328 544319086 /nfs/dbraw/zinc/31/90/86/544319086.db2.gz CBHQBRZOBMVVOV-FUHWJXTLSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(C)cn2)[C@@H](C)C1 ZINC000675552328 544319087 /nfs/dbraw/zinc/31/90/87/544319087.db2.gz CBHQBRZOBMVVOV-FUHWJXTLSA-N 2 1 305.466 2.617 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](Cc3cnc4ccccn34)C2)c1 ZINC000675247574 544296612 /nfs/dbraw/zinc/29/66/12/544296612.db2.gz YRPAIOSWBKGWII-MRXNPFEDSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](Cc3cnc4ccccn34)C2)c1 ZINC000675247574 544296613 /nfs/dbraw/zinc/29/66/13/544296613.db2.gz YRPAIOSWBKGWII-MRXNPFEDSA-N 2 1 321.428 2.972 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCN2CCCc3ccccc32)[C@@H](C)C1 ZINC000675783280 544336171 /nfs/dbraw/zinc/33/61/71/544336171.db2.gz FPQXJAIKCJIYSW-WMZOPIPTSA-N 2 1 301.478 2.759 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2cccc(NC(=O)CC)c2)CC1 ZINC000675752355 544333635 /nfs/dbraw/zinc/33/36/35/544333635.db2.gz PDVABYLIHBXPQJ-UHFFFAOYSA-N 2 1 303.450 2.999 20 0 DFADMP COc1ccc(COCC[N@H+]2CC[C@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000675897701 544342918 /nfs/dbraw/zinc/34/29/18/544342918.db2.gz RQJKSTXUSYOULQ-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000675897701 544342919 /nfs/dbraw/zinc/34/29/19/544342919.db2.gz RQJKSTXUSYOULQ-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP COc1ccc(COCC[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000675897701 544342920 /nfs/dbraw/zinc/34/29/20/544342920.db2.gz RQJKSTXUSYOULQ-MJGOQNOKSA-N 2 1 318.461 2.628 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2nc(C)sc2C)CC1 ZINC000676490678 544379309 /nfs/dbraw/zinc/37/93/09/544379309.db2.gz RCMJRMCVHBUKOH-AWEZNQCLSA-N 2 1 324.538 2.828 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]C2CC[NH+](CCO)CC2)c2ccccc21 ZINC000677377238 544479035 /nfs/dbraw/zinc/47/90/35/544479035.db2.gz JLQCWJRALNWXDN-GOSISDBHSA-N 2 1 302.462 2.845 20 0 DFADMP C[C@@H](CO)C[N@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC000678044675 544587329 /nfs/dbraw/zinc/58/73/29/544587329.db2.gz RPGTVDFFGUSCBK-IEBWSBKVSA-N 2 1 302.462 2.603 20 0 DFADMP C[C@@H](CO)C[NH+]1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000678044675 544587333 /nfs/dbraw/zinc/58/73/33/544587333.db2.gz RPGTVDFFGUSCBK-IEBWSBKVSA-N 2 1 302.462 2.603 20 0 DFADMP C[C@@H](CO)C[NH+]1CC[C@]2(C1)CCC[N@@H+](Cc1ccccc1)C2 ZINC000678044675 544587338 /nfs/dbraw/zinc/58/73/38/544587338.db2.gz RPGTVDFFGUSCBK-IEBWSBKVSA-N 2 1 302.462 2.603 20 0 DFADMP Cc1nnc([C@@H]2CCC[N@@H+](CCCCn3ccnc3C)C2)o1 ZINC000678074611 544594352 /nfs/dbraw/zinc/59/43/52/544594352.db2.gz QLOBPEXBVMFEFR-OAHLLOKOSA-N 2 1 303.410 2.543 20 0 DFADMP Cc1nnc([C@@H]2CCC[N@@H+](CCCCn3cc[nH+]c3C)C2)o1 ZINC000678074611 544594357 /nfs/dbraw/zinc/59/43/57/544594357.db2.gz QLOBPEXBVMFEFR-OAHLLOKOSA-N 2 1 303.410 2.543 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+](CCCCn2cc[nH+]c2C)C1 ZINC000678076555 544595311 /nfs/dbraw/zinc/59/53/11/544595311.db2.gz QFOMECMZTHINIQ-QGZVFWFLSA-N 2 1 301.438 2.814 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@@H+](CCCCn2cc[nH+]c2C)C1 ZINC000678076555 544595314 /nfs/dbraw/zinc/59/53/14/544595314.db2.gz QFOMECMZTHINIQ-QGZVFWFLSA-N 2 1 301.438 2.814 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678259142 544635329 /nfs/dbraw/zinc/63/53/29/544635329.db2.gz CYCIDSPWGCPQQV-GOSISDBHSA-N 2 1 319.493 2.543 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cn3cccc(F)c3n2)C[C@H]1C ZINC000678276598 544640994 /nfs/dbraw/zinc/64/09/94/544640994.db2.gz KEPUFUZVXRHKHN-UKRRQHHQSA-N 2 1 304.413 2.778 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cn3cccc(F)c3n2)C[C@H]1C ZINC000678276597 544641178 /nfs/dbraw/zinc/64/11/78/544641178.db2.gz KEPUFUZVXRHKHN-HIFRSBDPSA-N 2 1 304.413 2.778 20 0 DFADMP CO[C@@H](C)C[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C(C)C ZINC000678277546 544641511 /nfs/dbraw/zinc/64/15/11/544641511.db2.gz WZQSAHCBJVBZCJ-INIZCTEOSA-N 2 1 308.466 2.872 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](OC)C2)[C@H](C)C1 ZINC000678603055 544700295 /nfs/dbraw/zinc/70/02/95/544700295.db2.gz IUGGCZFXYLAOHA-BDXSIMOUSA-N 2 1 312.498 2.671 20 0 DFADMP C[NH+](C)Cc1ccc(NC(=O)[C@H](c2ccccc2)[NH+](C)C)cc1 ZINC000299599422 229248568 /nfs/dbraw/zinc/24/85/68/229248568.db2.gz MLQJYRABUKUUMY-SFHVURJKSA-N 2 1 311.429 2.990 20 0 DFADMP Cc1cc(N2CC[NH+](C)CC2)ccc1N[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000678999380 544766184 /nfs/dbraw/zinc/76/61/84/544766184.db2.gz AONBIORCUATUGP-IAGOWNOFSA-N 2 1 316.493 2.641 20 0 DFADMP CCc1ccc([C@H]([NH2+]C2CC[NH+](CCO)CC2)C(C)C)cc1 ZINC000679037415 544772435 /nfs/dbraw/zinc/77/24/35/544772435.db2.gz SHYRGEWHYBHMOI-LJQANCHMSA-N 2 1 304.478 2.992 20 0 DFADMP CC(C)(CO)C[NH2+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679720576 544905553 /nfs/dbraw/zinc/90/55/53/544905553.db2.gz CMUXHTYFFGSQOB-GUDVDZBRSA-N 2 1 316.489 2.895 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CCC[N@H+](C2CCC2)C1)C1CC[NH+](C)CC1 ZINC000679723021 544905815 /nfs/dbraw/zinc/90/58/15/544905815.db2.gz JLWALJCNRBBGTP-BQFCYCMXSA-N 3 1 307.526 2.959 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]C4CSC4)[C@@H]3C2)cc1 ZINC000680334014 544992822 /nfs/dbraw/zinc/99/28/22/544992822.db2.gz KMFBAKVRZGQSCU-CGTJXYLNSA-N 2 1 302.487 2.992 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000680144377 544964135 /nfs/dbraw/zinc/96/41/35/544964135.db2.gz CBERCIHJTMLGAG-HSALFYBXSA-N 2 1 322.456 2.785 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000680144377 544964139 /nfs/dbraw/zinc/96/41/39/544964139.db2.gz CBERCIHJTMLGAG-HSALFYBXSA-N 2 1 322.456 2.785 20 0 DFADMP CN(C)c1cc[nH+]c(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)c1 ZINC000680253994 544979103 /nfs/dbraw/zinc/97/91/03/544979103.db2.gz MKUGCQOXOOMKMD-CQSZACIVSA-N 2 1 316.449 2.741 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC(C)(C)C)CC1 ZINC000066960869 425907815 /nfs/dbraw/zinc/90/78/15/425907815.db2.gz GSPAZYDOMDXIHU-HNNXBMFYSA-N 2 1 311.514 2.734 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC000156007969 425932664 /nfs/dbraw/zinc/93/26/64/425932664.db2.gz HJJNSZFDCCTFNA-QGZVFWFLSA-N 2 1 317.477 2.598 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCCCCC1 ZINC000191499281 268003790 /nfs/dbraw/zinc/00/37/90/268003790.db2.gz GHEGJALZYGNTPX-UHFFFAOYSA-N 2 1 320.481 2.560 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCCCCC1 ZINC000191499281 268003792 /nfs/dbraw/zinc/00/37/92/268003792.db2.gz GHEGJALZYGNTPX-UHFFFAOYSA-N 2 1 320.481 2.560 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC000191495744 268003810 /nfs/dbraw/zinc/00/38/10/268003810.db2.gz GJCUNLKIAYCUQF-HNNXBMFYSA-N 2 1 320.481 2.605 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@@H](C)C(=O)NC1CCCC1 ZINC000191495744 268003812 /nfs/dbraw/zinc/00/38/12/268003812.db2.gz GJCUNLKIAYCUQF-HNNXBMFYSA-N 2 1 320.481 2.605 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@]2([NH+](C)C)CCC[C@H](C)C2)CC1 ZINC000192439889 268036853 /nfs/dbraw/zinc/03/68/53/268036853.db2.gz KPOCXZFGBAPZLG-USSHROBNSA-N 2 1 310.482 2.818 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCO[C@@H]1CCCCO1 ZINC000193131722 268060695 /nfs/dbraw/zinc/06/06/95/268060695.db2.gz JJKVKUPZYAIMMN-QGZVFWFLSA-N 2 1 309.454 2.701 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCO[C@@H]1CCCCO1 ZINC000193131722 268060697 /nfs/dbraw/zinc/06/06/97/268060697.db2.gz JJKVKUPZYAIMMN-QGZVFWFLSA-N 2 1 309.454 2.701 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000222919525 268141409 /nfs/dbraw/zinc/14/14/09/268141409.db2.gz HUZJINMMRYQJTB-HUUCEWRRSA-N 2 1 311.470 2.506 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000223931187 268142591 /nfs/dbraw/zinc/14/25/91/268142591.db2.gz MTRDCOPWHMESGS-CVEARBPZSA-N 2 1 323.481 2.602 20 0 DFADMP CC(C)(C)OC(=O)N1CCC([NH2+][C@@H]2CC[N@H+]3CCCC[C@@H]23)CC1 ZINC000223931187 268142592 /nfs/dbraw/zinc/14/25/92/268142592.db2.gz MTRDCOPWHMESGS-CVEARBPZSA-N 2 1 323.481 2.602 20 0 DFADMP CCCN(C(=O)[C@@H]([NH3+])CC)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236756133 268150198 /nfs/dbraw/zinc/15/01/98/268150198.db2.gz CLEAVZRENVQVSR-ROUUACIJSA-N 2 1 317.477 2.627 20 0 DFADMP CC(C)(C)[C@H](O)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000268874940 268186162 /nfs/dbraw/zinc/18/61/62/268186162.db2.gz KDPVFZKHPWVVOC-GOSISDBHSA-N 2 1 322.468 2.829 20 0 DFADMP Cc1[nH+]ccn1CC[N@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000270653987 268197199 /nfs/dbraw/zinc/19/71/99/268197199.db2.gz MMNSUEPYOFZQSA-IBGZPJMESA-N 2 1 313.445 2.954 20 0 DFADMP Cc1[nH+]ccn1CC[N@@H+](CCCO)[C@H]1CCCc2ccccc21 ZINC000270653987 268197200 /nfs/dbraw/zinc/19/72/00/268197200.db2.gz MMNSUEPYOFZQSA-IBGZPJMESA-N 2 1 313.445 2.954 20 0 DFADMP CCC[N@H+](CCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000270888522 268231423 /nfs/dbraw/zinc/23/14/23/268231423.db2.gz XIDRIRPRMMPTDD-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP CCC[N@@H+](CCn1cc[nH+]c1C)C[C@H]1COc2ccccc2O1 ZINC000270888522 268231426 /nfs/dbraw/zinc/23/14/26/268231426.db2.gz XIDRIRPRMMPTDD-INIZCTEOSA-N 2 1 315.417 2.744 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272653324 268252467 /nfs/dbraw/zinc/25/24/67/268252467.db2.gz KWRQUQXATOTYNT-AOIWGVFYSA-N 2 1 312.461 2.772 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000275641545 268260010 /nfs/dbraw/zinc/26/00/10/268260010.db2.gz AOUAAPPYRFKXNU-CVEARBPZSA-N 2 1 322.468 2.954 20 0 DFADMP CC(=O)Nc1cccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)c1 ZINC000277599599 268265641 /nfs/dbraw/zinc/26/56/41/268265641.db2.gz ONDKGUFBSWBPPO-HIFRSBDPSA-N 2 1 312.417 2.755 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CCC[NH3+])cc1)C(C)C ZINC000295145223 268290936 /nfs/dbraw/zinc/29/09/36/268290936.db2.gz CBBVFDZAAZVNAK-HNNXBMFYSA-N 2 1 305.466 2.774 20 0 DFADMP CCCCCNC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562191 425875800 /nfs/dbraw/zinc/87/58/00/425875800.db2.gz NDBQKXNGZIDWDW-UHFFFAOYSA-N 2 1 323.525 2.881 20 0 DFADMP CC(C)[C@H](C)NC(=O)C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000048562159 425875984 /nfs/dbraw/zinc/87/59/84/425875984.db2.gz UMRKDAVLTFPXBP-KRWDZBQOSA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)(C)[C@H](O)C[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310029097 268337367 /nfs/dbraw/zinc/33/73/67/268337367.db2.gz WUDQFZIGCKOWPM-GUDVDZBRSA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1C[C@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310029097 268337369 /nfs/dbraw/zinc/33/73/69/268337369.db2.gz WUDQFZIGCKOWPM-GUDVDZBRSA-N 2 1 316.489 2.847 20 0 DFADMP CC(C)(C)[C@H](O)C[NH+]1C[C@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000310029097 268337371 /nfs/dbraw/zinc/33/73/71/268337371.db2.gz WUDQFZIGCKOWPM-GUDVDZBRSA-N 2 1 316.489 2.847 20 0 DFADMP Cn1cnc(CCNCc2c(F)cccc2Br)c1 ZINC000313250846 268339529 /nfs/dbraw/zinc/33/95/29/268339529.db2.gz DEBOTSJPZOKIPQ-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP CCOC(=O)[C@H](c1ccccc1)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000319825378 268346898 /nfs/dbraw/zinc/34/68/98/268346898.db2.gz DXKBGILGCKOWCT-KRWDZBQOSA-N 2 1 304.434 2.564 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[N@@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000324386947 268350623 /nfs/dbraw/zinc/35/06/23/268350623.db2.gz ADNMZNZSOXXDSN-IYBDPMFKSA-N 2 1 315.461 2.680 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)cc(Cl)c1OC ZINC000049554081 425879746 /nfs/dbraw/zinc/87/97/46/425879746.db2.gz DAYFUCSWDKFGBH-NSHDSACASA-N 2 1 300.830 2.787 20 0 DFADMP COCCOc1ccc(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)cc1 ZINC000107317473 425988390 /nfs/dbraw/zinc/98/83/90/425988390.db2.gz LDJCYFJCAGUDSZ-HNNXBMFYSA-N 2 1 317.433 2.643 20 0 DFADMP Cc1nccn1CCC[N@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000124837105 425941357 /nfs/dbraw/zinc/94/13/57/425941357.db2.gz PHYYXDGAGLQZHB-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1cccc(C)c1C ZINC000124837105 425941360 /nfs/dbraw/zinc/94/13/60/425941360.db2.gz PHYYXDGAGLQZHB-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP CC(C)CCC[C@H](C)NC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158526544 425944114 /nfs/dbraw/zinc/94/41/14/425944114.db2.gz PJHJUYVGBCONDO-RCCFBDPRSA-N 2 1 323.525 2.734 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC000073112958 426023759 /nfs/dbraw/zinc/02/37/59/426023759.db2.gz ATDLAGVCEZRAIT-BZSNNMDCSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC000073112958 426023761 /nfs/dbraw/zinc/02/37/61/426023761.db2.gz ATDLAGVCEZRAIT-BZSNNMDCSA-N 2 1 321.509 2.584 20 0 DFADMP C[C@H]1CCCC[NH+]1C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC000073112958 426023763 /nfs/dbraw/zinc/02/37/63/426023763.db2.gz ATDLAGVCEZRAIT-BZSNNMDCSA-N 2 1 321.509 2.584 20 0 DFADMP COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000161639415 426032654 /nfs/dbraw/zinc/03/26/54/426032654.db2.gz OPLKPDZOZLHJMO-RRFJBIMHSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000161639415 426032655 /nfs/dbraw/zinc/03/26/55/426032655.db2.gz OPLKPDZOZLHJMO-RRFJBIMHSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)c(OC)c1 ZINC000161639415 426032658 /nfs/dbraw/zinc/03/26/58/426032658.db2.gz OPLKPDZOZLHJMO-RRFJBIMHSA-N 2 1 304.434 2.981 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000161632440 426033546 /nfs/dbraw/zinc/03/35/46/426033546.db2.gz PNXOTNNCDGPZSQ-LHSJRXKWSA-N 2 1 308.491 2.949 20 0 DFADMP C[N@@H+](CC(C)(C)O)CC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000111226592 426038469 /nfs/dbraw/zinc/03/84/69/426038469.db2.gz HXFAPTOZONDPRT-UHFFFAOYSA-N 2 1 304.478 2.991 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000162039404 426049428 /nfs/dbraw/zinc/04/94/28/426049428.db2.gz OZPLIUNEWKJWSY-GOSISDBHSA-N 2 1 304.482 2.780 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000162039404 426049429 /nfs/dbraw/zinc/04/94/29/426049429.db2.gz OZPLIUNEWKJWSY-GOSISDBHSA-N 3 1 304.482 2.780 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000162039404 426049432 /nfs/dbraw/zinc/04/94/32/426049432.db2.gz OZPLIUNEWKJWSY-GOSISDBHSA-N 3 1 304.482 2.780 20 0 DFADMP Cc1ccccc1C[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCOC2)CC1 ZINC000162134584 426054089 /nfs/dbraw/zinc/05/40/89/426054089.db2.gz GCGBZAZJIQDCRL-SJLPKXTDSA-N 2 1 302.462 2.974 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(OC[C@@H]2CCCCO2)CC1 ZINC000162181509 426055829 /nfs/dbraw/zinc/05/58/29/426055829.db2.gz GGERRKVELQDFOZ-WMZOPIPTSA-N 2 1 310.482 2.521 20 0 DFADMP COc1ccc([C@H](CCO)[NH2+]CCC[NH+]2CCCCC2)cc1 ZINC000162260495 426058086 /nfs/dbraw/zinc/05/80/86/426058086.db2.gz DRGDCDYWXSXVAQ-SFHVURJKSA-N 2 1 306.450 2.584 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420111 426064336 /nfs/dbraw/zinc/06/43/36/426064336.db2.gz UWYDRYKFXGDWTN-RYRKJORJSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000162420111 426064339 /nfs/dbraw/zinc/06/43/39/426064339.db2.gz UWYDRYKFXGDWTN-RYRKJORJSA-N 2 1 316.493 2.890 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000076000787 426092266 /nfs/dbraw/zinc/09/22/66/426092266.db2.gz OGJLAEUBNJYZBR-SFHVURJKSA-N 2 1 323.525 2.737 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](CCOc2ccc(OC)cc2)C1 ZINC000076003545 426093069 /nfs/dbraw/zinc/09/30/69/426093069.db2.gz RMEVIYFBUBKPRX-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](CCOc2ccc(OC)cc2)C1 ZINC000076003545 426093073 /nfs/dbraw/zinc/09/30/73/426093073.db2.gz RMEVIYFBUBKPRX-INIZCTEOSA-N 2 1 306.450 2.738 20 0 DFADMP CCC[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)c1ccccc1 ZINC000127940026 426093992 /nfs/dbraw/zinc/09/39/92/426093992.db2.gz JHBHSODZJZERCE-ZWKOTPCHSA-N 2 1 317.477 2.705 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3cccc(F)c3)CC2)C1 ZINC000163216846 426094246 /nfs/dbraw/zinc/09/42/46/426094246.db2.gz HDAFRKZDZSGOFX-KRWDZBQOSA-N 2 1 319.468 2.722 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000163286158 426094988 /nfs/dbraw/zinc/09/49/88/426094988.db2.gz QZMFJDMNKARTOP-ZFWWWQNUSA-N 2 1 319.449 2.646 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)c1ccccc1 ZINC000128251138 426109108 /nfs/dbraw/zinc/10/91/08/426109108.db2.gz MQWLVEQTGZKZGG-GOSISDBHSA-N 2 1 317.521 2.970 20 0 DFADMP CC[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1cccc(OC)c1 ZINC000128276417 426109868 /nfs/dbraw/zinc/10/98/68/426109868.db2.gz ZABGPQAZVDAIFP-LJQANCHMSA-N 2 1 319.493 2.764 20 0 DFADMP CC[NH2+]CC1CC[NH+](CC(=O)Nc2cccc(Cl)c2)CC1 ZINC000113656248 426120019 /nfs/dbraw/zinc/12/00/19/426120019.db2.gz QCQXKUAUIWIMOH-UHFFFAOYSA-N 2 1 309.841 2.600 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000165293241 426121658 /nfs/dbraw/zinc/12/16/58/426121658.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293241 426121661 /nfs/dbraw/zinc/12/16/61/426121661.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293241 426121665 /nfs/dbraw/zinc/12/16/65/426121665.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000165293241 426121666 /nfs/dbraw/zinc/12/16/66/426121666.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000165293241 426121669 /nfs/dbraw/zinc/12/16/69/426121669.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293241 426121672 /nfs/dbraw/zinc/12/16/72/426121672.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293241 426121674 /nfs/dbraw/zinc/12/16/74/426121674.db2.gz OMKJHVPGSQIKQY-HOJAQTOUSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000165292996 426121985 /nfs/dbraw/zinc/12/19/85/426121985.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165292996 426121987 /nfs/dbraw/zinc/12/19/87/426121987.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165292996 426121989 /nfs/dbraw/zinc/12/19/89/426121989.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000165292996 426121990 /nfs/dbraw/zinc/12/19/90/426121990.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000165292996 426121992 /nfs/dbraw/zinc/12/19/92/426121992.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165292996 426121994 /nfs/dbraw/zinc/12/19/94/426121994.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165292996 426121995 /nfs/dbraw/zinc/12/19/95/426121995.db2.gz OMKJHVPGSQIKQY-YZGWKJHDSA-N 3 1 315.505 2.623 20 0 DFADMP CC[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCOC1 ZINC000165330061 426122272 /nfs/dbraw/zinc/12/22/72/426122272.db2.gz IYWKNFMDDTWMDR-ZCNNSNEGSA-N 2 1 316.489 2.956 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000165293126 426122532 /nfs/dbraw/zinc/12/25/32/426122532.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293126 426122534 /nfs/dbraw/zinc/12/25/34/426122534.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293126 426122537 /nfs/dbraw/zinc/12/25/37/426122537.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 2 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000165293126 426122538 /nfs/dbraw/zinc/12/25/38/426122538.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000165293126 426122542 /nfs/dbraw/zinc/12/25/42/426122542.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293126 426122543 /nfs/dbraw/zinc/12/25/43/426122543.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 3 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293126 426122546 /nfs/dbraw/zinc/12/25/46/426122546.db2.gz OMKJHVPGSQIKQY-YSIASYRMSA-N 3 1 315.505 2.623 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CCC2 ZINC000166509954 426128424 /nfs/dbraw/zinc/12/84/24/426128424.db2.gz JMHWVSWYLGPSKJ-FQEVSTJZSA-N 2 1 315.505 2.990 20 0 DFADMP C[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC(C)(C)CC1 ZINC000127591844 426075539 /nfs/dbraw/zinc/07/55/39/426075539.db2.gz SXNWYHAVKJEHIL-UHFFFAOYSA-N 2 1 321.509 2.630 20 0 DFADMP C[N@@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000162809649 426078921 /nfs/dbraw/zinc/07/89/21/426078921.db2.gz VXGSPSDEMASYNZ-XIRDDKMYSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](C[C@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000162809649 426078924 /nfs/dbraw/zinc/07/89/24/426078924.db2.gz VXGSPSDEMASYNZ-XIRDDKMYSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](C[C@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000162809649 426078927 /nfs/dbraw/zinc/07/89/27/426078927.db2.gz VXGSPSDEMASYNZ-XIRDDKMYSA-N 2 1 308.853 2.790 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](C[C@H](O)c3cccc(Cl)c3)CC[C@@H]21 ZINC000162809649 426078931 /nfs/dbraw/zinc/07/89/31/426078931.db2.gz VXGSPSDEMASYNZ-XIRDDKMYSA-N 2 1 308.853 2.790 20 0 DFADMP CCCCOC(=O)CC[N@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134939012 426200737 /nfs/dbraw/zinc/20/07/37/426200737.db2.gz AYPORONZUKWLSP-NVXWUHKLSA-N 2 1 308.466 2.669 20 0 DFADMP CCCCOC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000134939012 426200740 /nfs/dbraw/zinc/20/07/40/426200740.db2.gz AYPORONZUKWLSP-NVXWUHKLSA-N 2 1 308.466 2.669 20 0 DFADMP CCCCOC(=O)CC[NH+]1CC[C@@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000134939012 426200744 /nfs/dbraw/zinc/20/07/44/426200744.db2.gz AYPORONZUKWLSP-NVXWUHKLSA-N 2 1 308.466 2.669 20 0 DFADMP COc1cc(C[NH2+][C@@H](C)CC[NH+](C)C)c(SC)cc1OC ZINC000077988807 426154641 /nfs/dbraw/zinc/15/46/41/426154641.db2.gz BWHZNVSJKGVZJZ-LBPRGKRZSA-N 2 1 312.479 2.856 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000130479733 426160339 /nfs/dbraw/zinc/16/03/39/426160339.db2.gz LQQIHGUHVGKAKT-HNNXBMFYSA-N 2 1 314.433 2.849 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1ccccc1C ZINC000130479733 426160341 /nfs/dbraw/zinc/16/03/41/426160341.db2.gz LQQIHGUHVGKAKT-HNNXBMFYSA-N 2 1 314.433 2.849 20 0 DFADMP C[C@H]1C[N@@H+](C2CCN(CCCCC(F)(F)F)CC2)CCO1 ZINC000133456661 426177936 /nfs/dbraw/zinc/17/79/36/426177936.db2.gz OAEMQGNXEBZLEK-ZDUSSCGKSA-N 2 1 308.388 2.904 20 0 DFADMP CC[C@]1(C(=O)NCc2cccc(C[N@@H+](C)C(C)C)c2)CCC[NH2+]1 ZINC000134580605 426189175 /nfs/dbraw/zinc/18/91/75/426189175.db2.gz CQSBZMUJXSCRDN-LJQANCHMSA-N 2 1 317.477 2.675 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000079461819 426193746 /nfs/dbraw/zinc/19/37/46/426193746.db2.gz TUKTVSVDGAUESZ-KDOFPFPSSA-N 2 1 313.445 2.690 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000079461819 426193749 /nfs/dbraw/zinc/19/37/49/426193749.db2.gz TUKTVSVDGAUESZ-KDOFPFPSSA-N 2 1 313.445 2.690 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2cc3ccccc3[nH]c2=O)[C@H](C)C1 ZINC000079461819 426193753 /nfs/dbraw/zinc/19/37/53/426193753.db2.gz TUKTVSVDGAUESZ-KDOFPFPSSA-N 2 1 313.445 2.690 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000081095519 426220115 /nfs/dbraw/zinc/22/01/15/426220115.db2.gz NBWNCCSMPUGYJC-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000081095519 426220116 /nfs/dbraw/zinc/22/01/16/426220116.db2.gz NBWNCCSMPUGYJC-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2ccccc2F)[C@H](C)C1 ZINC000081095519 426220119 /nfs/dbraw/zinc/22/01/19/426220119.db2.gz NBWNCCSMPUGYJC-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP Clc1cc2c(c(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)c1)OCC2 ZINC000136389375 426240491 /nfs/dbraw/zinc/24/04/91/426240491.db2.gz WOYNHZVIDBZXPZ-LBPRGKRZSA-N 2 1 306.837 2.849 20 0 DFADMP Clc1cc2c(c(C[NH2+]C[C@@H]3CC[N@H+](C4CC4)C3)c1)OCC2 ZINC000136389375 426240492 /nfs/dbraw/zinc/24/04/92/426240492.db2.gz WOYNHZVIDBZXPZ-LBPRGKRZSA-N 2 1 306.837 2.849 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)CC[N@H+]1C ZINC000151040407 426274450 /nfs/dbraw/zinc/27/44/50/426274450.db2.gz CPRANKFWHOXAJD-WBVHZDCISA-N 2 1 315.461 2.776 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CC[NH+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174960864 426271348 /nfs/dbraw/zinc/27/13/48/426271348.db2.gz WQLNJJMHJHBXGL-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174960864 426271352 /nfs/dbraw/zinc/27/13/52/426271352.db2.gz WQLNJJMHJHBXGL-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CCC[NH+](C)C[C@@H]1CC[N@@H+](CCC(=O)Nc2ccc(F)cc2)C1 ZINC000174960864 426271354 /nfs/dbraw/zinc/27/13/54/426271354.db2.gz WQLNJJMHJHBXGL-HNNXBMFYSA-N 2 1 321.440 2.818 20 0 DFADMP CC(C)CC[C@H]1CCC[N@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000135307000 426213193 /nfs/dbraw/zinc/21/31/93/426213193.db2.gz YXYWZCHJFIOAGA-QGZVFWFLSA-N 2 1 321.509 2.630 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151286129 426288343 /nfs/dbraw/zinc/28/83/43/426288343.db2.gz JLOFCLYNUSQFRO-SJLPKXTDSA-N 2 1 306.450 2.583 20 0 DFADMP CC[C@H](C[NH2+]C1CCN(c2nc(C)cs2)CC1)[NH+]1CCCC1 ZINC000151668095 426306764 /nfs/dbraw/zinc/30/67/64/426306764.db2.gz POVYRMKWZRRPSD-MRXNPFEDSA-N 2 1 322.522 2.884 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]CCCN(C)C(=O)OC(C)(C)C ZINC000120258779 426308395 /nfs/dbraw/zinc/30/83/95/426308395.db2.gz RLYXYXLLTWIUJL-RBSFLKMASA-N 2 1 313.486 2.562 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1NCCC[NH+](C)Cc1ccccc1 ZINC000121233488 426327440 /nfs/dbraw/zinc/32/74/40/426327440.db2.gz QNYGDPVGWWAIBM-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCCC[N@H+](C)Cc1ccccc1 ZINC000121233488 426327443 /nfs/dbraw/zinc/32/74/43/426327443.db2.gz QNYGDPVGWWAIBM-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1NCCC[N@@H+](C)Cc1ccccc1 ZINC000121233488 426327447 /nfs/dbraw/zinc/32/74/47/426327447.db2.gz QNYGDPVGWWAIBM-AOIWGVFYSA-N 2 1 303.494 2.827 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000090720342 426331334 /nfs/dbraw/zinc/33/13/34/426331334.db2.gz UBZIJGDQCRISNX-YPMHNXCESA-N 2 1 312.841 2.930 20 0 DFADMP COc1cc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc(Cl)c1OC ZINC000090720342 426331339 /nfs/dbraw/zinc/33/13/39/426331339.db2.gz UBZIJGDQCRISNX-YPMHNXCESA-N 2 1 312.841 2.930 20 0 DFADMP CC[NH+](CC)[C@@H](C)C[NH2+]C1CCN(C(=O)CC(C)(C)C)CC1 ZINC000089137289 426280102 /nfs/dbraw/zinc/28/01/02/426280102.db2.gz ISMJLDHPAYYXRT-HNNXBMFYSA-N 2 1 311.514 2.734 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCCC1)c1ccc2c(c1)CCO2 ZINC000151275257 426286884 /nfs/dbraw/zinc/28/68/84/426286884.db2.gz UHQLLNIDXSNUBD-QZTJIDSGSA-N 2 1 318.461 2.509 20 0 DFADMP Cc1ccccc1C1(C[NH2+][C@H]2CC[N@H+](C)C[C@@H]2C)CCOCC1 ZINC000152412665 426343524 /nfs/dbraw/zinc/34/35/24/426343524.db2.gz QGDMOPOFAITONE-HKUYNNGSSA-N 2 1 316.489 2.973 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](CCc2ccncc2)CC1 ZINC000122139000 426360276 /nfs/dbraw/zinc/36/02/76/426360276.db2.gz DBXLFMRWFNELIZ-UHFFFAOYSA-N 2 1 319.493 2.695 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccccc2)CC1)[C@H]1CCOC1 ZINC000153243351 426376834 /nfs/dbraw/zinc/37/68/34/426376834.db2.gz ICYJEILTNLFWJD-AEFFLSMTSA-N 2 1 302.462 2.708 20 0 DFADMP C[C@H]1CCC[N@@H+]1C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000153236480 426376968 /nfs/dbraw/zinc/37/69/68/426376968.db2.gz YQSCIHFWYCJFEI-QFBILLFUSA-N 2 1 302.462 2.539 20 0 DFADMP C[C@H]1CCC[N@H+]1C1CC[NH+](C[C@H](O)Cc2ccccc2)CC1 ZINC000153236480 426376970 /nfs/dbraw/zinc/37/69/70/426376970.db2.gz YQSCIHFWYCJFEI-QFBILLFUSA-N 2 1 302.462 2.539 20 0 DFADMP C[C@@H]1C[C@@H](NCCC[NH+]2CCc3ccccc3C2)CC[N@H+]1C ZINC000122759093 426392692 /nfs/dbraw/zinc/39/26/92/426392692.db2.gz GGOASSOBZMNHJR-APWZRJJASA-N 3 1 301.478 2.507 20 0 DFADMP C[C@@H]1C[C@@H](NCCC[N@@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000122759093 426392694 /nfs/dbraw/zinc/39/26/94/426392694.db2.gz GGOASSOBZMNHJR-APWZRJJASA-N 3 1 301.478 2.507 20 0 DFADMP C[C@@H]1C[C@@H](NCCC[N@H+]2CCc3ccccc3C2)CC[NH+]1C ZINC000122759093 426392696 /nfs/dbraw/zinc/39/26/96/426392696.db2.gz GGOASSOBZMNHJR-APWZRJJASA-N 3 1 301.478 2.507 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123031267 426410942 /nfs/dbraw/zinc/41/09/42/426410942.db2.gz OSNACBRMAHPODI-APWZRJJASA-N 3 1 301.478 2.712 20 0 DFADMP C[C@@H]1CN(C)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000123031267 426410946 /nfs/dbraw/zinc/41/09/46/426410946.db2.gz OSNACBRMAHPODI-APWZRJJASA-N 2 1 301.478 2.712 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)Nc2cccc(C[NH+](C)C)c2)C1 ZINC000177029366 426436176 /nfs/dbraw/zinc/43/61/76/426436176.db2.gz VAUCDQIUWGMREL-PBHICJAKSA-N 2 1 318.465 2.598 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)N(C)C[C@H]1CCC[NH+]1CC)c1ccccc1 ZINC000177032796 426436769 /nfs/dbraw/zinc/43/67/69/426436769.db2.gz SUBDJGVCDHRKDR-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)C[C@H]1CCC[NH+]1CC)c1ccccc1 ZINC000177032796 426436773 /nfs/dbraw/zinc/43/67/73/426436773.db2.gz SUBDJGVCDHRKDR-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@@H+]1CC)c1ccccc1 ZINC000177032796 426436775 /nfs/dbraw/zinc/43/67/75/426436775.db2.gz SUBDJGVCDHRKDR-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CC[NH+](C)[C@@H](C(=O)N(C)C[C@H]1CCC[N@H+]1CC)c1ccccc1 ZINC000177032796 426436778 /nfs/dbraw/zinc/43/67/78/426436778.db2.gz SUBDJGVCDHRKDR-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CC[C@H](Cc1ccc(Cl)cc1Cl)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154328579 426437205 /nfs/dbraw/zinc/43/72/05/426437205.db2.gz UFSSLBGFNGPNCA-KGLIPLIRSA-N 2 1 319.276 2.827 20 0 DFADMP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]C[C@H](O)C[NH+](C)C ZINC000154372702 426437950 /nfs/dbraw/zinc/43/79/50/426437950.db2.gz WNHCRCQKCABGMI-KGLIPLIRSA-N 2 1 316.898 2.723 20 0 DFADMP CC(C)C[C@@H]1CCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000123538861 426439796 /nfs/dbraw/zinc/43/97/96/426439796.db2.gz QAJAVTFLMJXVLM-SFHVURJKSA-N 2 1 323.525 2.876 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000154549276 426445016 /nfs/dbraw/zinc/44/50/16/426445016.db2.gz KTPAUOODHBDRTG-ULQDDVLXSA-N 2 1 309.498 2.617 20 0 DFADMP Cc1ccc(C[N@H+](C)C2CCN(CCc3ccccn3)CC2)cn1 ZINC000153804104 426407086 /nfs/dbraw/zinc/40/70/86/426407086.db2.gz BQJSFNFDOUHHSH-UHFFFAOYSA-N 2 1 324.472 2.924 20 0 DFADMP Cc1ccc(CN(C)C2CC[NH+](CCc3ccccn3)CC2)cn1 ZINC000153804104 426407088 /nfs/dbraw/zinc/40/70/88/426407088.db2.gz BQJSFNFDOUHHSH-UHFFFAOYSA-N 2 1 324.472 2.924 20 0 DFADMP C[C@@H](O)C[C@@H](C)[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000341310755 269066299 /nfs/dbraw/zinc/06/62/99/269066299.db2.gz UYPOOXASKMNLIX-HUUCEWRRSA-N 2 1 308.441 2.582 20 0 DFADMP C[N@@H+](Cc1ncc(Br)s1)CC1CC[NH+](C)CC1 ZINC000341319404 269069075 /nfs/dbraw/zinc/06/90/75/269069075.db2.gz VRTOPUCNUFETJK-UHFFFAOYSA-N 2 1 318.284 2.679 20 0 DFADMP C[N@H+](Cc1ncc(Br)s1)CC1CC[NH+](C)CC1 ZINC000341319404 269069078 /nfs/dbraw/zinc/06/90/78/269069078.db2.gz VRTOPUCNUFETJK-UHFFFAOYSA-N 2 1 318.284 2.679 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H](C)c2ccc(OC)cc2)CC1 ZINC000154862260 426458896 /nfs/dbraw/zinc/45/88/96/426458896.db2.gz CXGWUJDNYXETIT-JKSUJKDBSA-N 2 1 320.477 2.888 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@](C)(C[NH3+])C2CC2)cc1)C1CC1 ZINC000154938821 426459445 /nfs/dbraw/zinc/45/94/45/426459445.db2.gz CUQLICKVVWAIGW-IBGZPJMESA-N 2 1 315.461 2.528 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CCc2ccccc2O)[C@H](C)C1 ZINC000154944925 426460041 /nfs/dbraw/zinc/46/00/41/426460041.db2.gz WUSTUDCSMSBOFL-AEFFLSMTSA-N 2 1 320.477 2.661 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000123921270 426461462 /nfs/dbraw/zinc/46/14/62/426461462.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000123921270 426461465 /nfs/dbraw/zinc/46/14/65/426461465.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 3 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000123921270 426461468 /nfs/dbraw/zinc/46/14/68/426461468.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 3 1 303.494 2.958 20 0 DFADMP CC[N@H+](C)Cc1cccc(CN[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000123921270 426461472 /nfs/dbraw/zinc/46/14/72/426461472.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CN[C@H]2CC[NH+](CC)C[C@H]2C)c1 ZINC000123921270 426461475 /nfs/dbraw/zinc/46/14/75/426461475.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@H]2CC[N@H+](CC)C[C@H]2C)c1 ZINC000123921270 426461479 /nfs/dbraw/zinc/46/14/79/426461479.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](C)Cc1cccc(CN[C@H]2CC[N@@H+](CC)C[C@H]2C)c1 ZINC000123921270 426461480 /nfs/dbraw/zinc/46/14/80/426461480.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)[C@H](C)C1 ZINC000123921270 426461483 /nfs/dbraw/zinc/46/14/83/426461483.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CCN1CC[C@H]([NH2+]Cc2cccc(C[N@@H+](C)CC)c2)[C@H](C)C1 ZINC000123921270 426461487 /nfs/dbraw/zinc/46/14/87/426461487.db2.gz CSWCMFWKFPAKHS-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CCOC(=O)N1CCC([NH2+]C[C@@H](C(CC)CC)[NH+](C)C)CC1 ZINC000124141929 426472744 /nfs/dbraw/zinc/47/27/44/426472744.db2.gz CNTIAASTJKPHJS-INIZCTEOSA-N 2 1 313.486 2.563 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@@H+](C)CCCn2ccnc2)cc1 ZINC000124209289 426475373 /nfs/dbraw/zinc/47/53/73/426475373.db2.gz DCXNAQLOERDGEC-HNNXBMFYSA-N 2 1 314.433 2.795 20 0 DFADMP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H](C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000101650209 426485719 /nfs/dbraw/zinc/48/57/19/426485719.db2.gz QVSXJFQPMQSJNB-MWDXBVQZSA-N 2 1 311.514 2.874 20 0 DFADMP CC[NH+]1CCC(N[C@@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272368574 426508594 /nfs/dbraw/zinc/50/85/94/426508594.db2.gz UIUYJMRREDYNDA-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP Cn1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000272388874 426512776 /nfs/dbraw/zinc/51/27/76/426512776.db2.gz GTBVSUABGZLFSS-ACDBMABISA-N 2 1 324.472 2.748 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750980 426513687 /nfs/dbraw/zinc/51/36/87/426513687.db2.gz FXYUVGSABASKPQ-DZKIICNBSA-N 2 1 317.433 2.777 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000177750980 426513693 /nfs/dbraw/zinc/51/36/93/426513693.db2.gz FXYUVGSABASKPQ-DZKIICNBSA-N 2 1 317.433 2.777 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CCCNc3ccccc32)CC1 ZINC000186406678 426520217 /nfs/dbraw/zinc/52/02/17/426520217.db2.gz OLIGOXXYXWADSQ-LJQANCHMSA-N 2 1 316.493 2.551 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCc2cn(C)c3cc(F)ccc23)CC[N@H+]1C ZINC000186413338 426522578 /nfs/dbraw/zinc/52/25/78/426522578.db2.gz CAKBCCGWOXGRBP-CZUORRHYSA-N 2 1 303.425 2.932 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2sc(C)nc2C)CC1 ZINC000178005138 426554981 /nfs/dbraw/zinc/55/49/81/426554981.db2.gz TYRPCBRRHNCZPP-AWEZNQCLSA-N 2 1 324.538 2.828 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000272476481 426536715 /nfs/dbraw/zinc/53/67/15/426536715.db2.gz IUOAQDHFVKIXNA-VDHUWJSZSA-N 2 1 302.462 2.789 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)CC[N@H+]1Cc1ccccc1 ZINC000272476481 426536720 /nfs/dbraw/zinc/53/67/20/426536720.db2.gz IUOAQDHFVKIXNA-VDHUWJSZSA-N 2 1 302.462 2.789 20 0 DFADMP C[C@@H](CCC1CC1)[NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1 ZINC000186499176 426539497 /nfs/dbraw/zinc/53/94/97/426539497.db2.gz NNLAYFFXDGKXME-KXBFYZLASA-N 2 1 302.462 2.922 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000177956000 426545708 /nfs/dbraw/zinc/54/57/08/426545708.db2.gz DHEFZULVKBHMQS-CPUCHLNUSA-N 2 1 306.450 2.565 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000177963502 426547866 /nfs/dbraw/zinc/54/78/66/426547866.db2.gz OSDURXYKQBWION-DZKIICNBSA-N 2 1 306.450 2.707 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000177963502 426547870 /nfs/dbraw/zinc/54/78/70/426547870.db2.gz OSDURXYKQBWION-DZKIICNBSA-N 2 1 306.450 2.707 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000177963475 426548339 /nfs/dbraw/zinc/54/83/39/426548339.db2.gz OSDURXYKQBWION-OFQRWUPVSA-N 2 1 306.450 2.707 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1OC ZINC000177963475 426548343 /nfs/dbraw/zinc/54/83/43/426548343.db2.gz OSDURXYKQBWION-OFQRWUPVSA-N 2 1 306.450 2.707 20 0 DFADMP Cc1cc(C[NH+]2CCC(CC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000177497742 426489533 /nfs/dbraw/zinc/48/95/33/426489533.db2.gz YJDGXRTTZKZRST-IYBDPMFKSA-N 2 1 321.465 2.694 20 0 DFADMP Cc1cc(C[NH+]2CCC(CC[N@H+]3C[C@@H](C)O[C@@H](C)C3)CC2)no1 ZINC000177497742 426489535 /nfs/dbraw/zinc/48/95/35/426489535.db2.gz YJDGXRTTZKZRST-IYBDPMFKSA-N 2 1 321.465 2.694 20 0 DFADMP C[C@@H]1C[C@@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@H+]1C ZINC000186638142 426568691 /nfs/dbraw/zinc/56/86/91/426568691.db2.gz JNVPVZDXJPXBLM-BVGQSLNGSA-N 2 1 316.424 2.721 20 0 DFADMP C[C@H]1C[C@@H](N[C@H](c2cnn(C)c2)c2ccc(F)cc2)CC[N@H+]1C ZINC000186638158 426569162 /nfs/dbraw/zinc/56/91/62/426569162.db2.gz JNVPVZDXJPXBLM-KKXDTOCCSA-N 2 1 316.424 2.721 20 0 DFADMP COCCOc1ccc(C[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000264538321 426571276 /nfs/dbraw/zinc/57/12/76/426571276.db2.gz PPIMQQKVKRGOEU-UHFFFAOYSA-N 2 1 318.461 2.818 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC000178228871 426590631 /nfs/dbraw/zinc/59/06/31/426590631.db2.gz NHJRJUGJJJKEEK-RDJZCZTQSA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)CC1 ZINC000178228871 426590632 /nfs/dbraw/zinc/59/06/32/426590632.db2.gz NHJRJUGJJJKEEK-RDJZCZTQSA-N 2 1 317.477 2.736 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccccc1C ZINC000178304975 426601084 /nfs/dbraw/zinc/60/10/84/426601084.db2.gz LOYDZPYWLWZKBK-MRXNPFEDSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccccc1C ZINC000178304975 426601088 /nfs/dbraw/zinc/60/10/88/426601088.db2.gz LOYDZPYWLWZKBK-MRXNPFEDSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1c(F)cccc1F ZINC000178316405 426603655 /nfs/dbraw/zinc/60/36/55/426603655.db2.gz UAZLHTPUBFAXQS-BBRMVZONSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1c(F)cccc1F ZINC000178316405 426603659 /nfs/dbraw/zinc/60/36/59/426603659.db2.gz UAZLHTPUBFAXQS-BBRMVZONSA-N 2 1 321.371 2.668 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000273198751 426612621 /nfs/dbraw/zinc/61/26/21/426612621.db2.gz IIAOWAKCNOFEGH-RDJZCZTQSA-N 2 1 317.477 2.544 20 0 DFADMP C[N@@H+](C[C@H](O)Cc1ccc2ccccc2c1)C[C@@H]1CC[NH+](C)C1 ZINC000280391461 426563796 /nfs/dbraw/zinc/56/37/96/426563796.db2.gz WWNDNULQZZOKMX-YLJYHZDGSA-N 2 1 312.457 2.627 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000289382457 426642794 /nfs/dbraw/zinc/64/27/94/426642794.db2.gz BRZPBLLTBFBFEW-NMLBUPMWSA-N 2 1 314.473 2.710 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000289382457 426642798 /nfs/dbraw/zinc/64/27/98/426642798.db2.gz BRZPBLLTBFBFEW-NMLBUPMWSA-N 2 1 314.473 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000289382457 426642803 /nfs/dbraw/zinc/64/28/03/426642803.db2.gz BRZPBLLTBFBFEW-NMLBUPMWSA-N 2 1 314.473 2.710 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1C[C@H](c2ccccc2)[C@H]2CCC[C@@H]21)C1CC1 ZINC000289382457 426642808 /nfs/dbraw/zinc/64/28/08/426642808.db2.gz BRZPBLLTBFBFEW-NMLBUPMWSA-N 2 1 314.473 2.710 20 0 DFADMP CCCC[C@H]([NH2+]C[C@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289408272 426649126 /nfs/dbraw/zinc/64/91/26/426649126.db2.gz UKRGHUSZCZGEMJ-HKUYNNGSSA-N 2 1 320.477 2.971 20 0 DFADMP CCCC[C@H]([NH2+]C[C@H](O)C[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289408272 426649128 /nfs/dbraw/zinc/64/91/28/426649128.db2.gz UKRGHUSZCZGEMJ-HKUYNNGSSA-N 2 1 320.477 2.971 20 0 DFADMP CCOc1ccc(OCC[N@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000178531255 426650877 /nfs/dbraw/zinc/65/08/77/426650877.db2.gz LDTNSDKICGTWMN-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)CCCn2cc[nH+]c2C)cc1 ZINC000178531255 426650881 /nfs/dbraw/zinc/65/08/81/426650881.db2.gz LDTNSDKICGTWMN-UHFFFAOYSA-N 2 1 317.433 2.991 20 0 DFADMP COCCC[C@H](C)[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000178616906 426666405 /nfs/dbraw/zinc/66/64/05/426666405.db2.gz LIORGNGBAMRLTK-IRXDYDNUSA-N 2 1 320.477 2.812 20 0 DFADMP COCCC[C@H](C)[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000178616906 426666409 /nfs/dbraw/zinc/66/64/09/426666409.db2.gz LIORGNGBAMRLTK-IRXDYDNUSA-N 2 1 320.477 2.812 20 0 DFADMP CC(C)c1ccc([C@H](C)[NH2+]CCC(=O)N2CC[NH+](C)CC2)cc1 ZINC000178666891 426673344 /nfs/dbraw/zinc/67/33/44/426673344.db2.gz RGUJYNXWHLMNAA-INIZCTEOSA-N 2 1 317.477 2.625 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000178703928 426678352 /nfs/dbraw/zinc/67/83/52/426678352.db2.gz VYQNSEYSUHAYGJ-CVEARBPZSA-N 2 1 320.481 2.598 20 0 DFADMP CCCN(C(=O)CCC[NH3+])[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000236744214 426683252 /nfs/dbraw/zinc/68/32/52/426683252.db2.gz JQOHURIYJSZMCQ-GOSISDBHSA-N 2 1 317.477 2.629 20 0 DFADMP Cc1ccccc1C[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000178440224 426628958 /nfs/dbraw/zinc/62/89/58/426628958.db2.gz VMPXZEKAEDTRFI-LJQANCHMSA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[NH+]2C[C@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289330404 426629852 /nfs/dbraw/zinc/62/98/52/426629852.db2.gz HQXNOTFPUQQRNF-IEBWSBKVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[NH+]2C[C@H](O)C[N@H+](C)C2CC2)c1 ZINC000289330404 426629855 /nfs/dbraw/zinc/62/98/55/426629855.db2.gz HQXNOTFPUQQRNF-IEBWSBKVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000289330404 426629857 /nfs/dbraw/zinc/62/98/57/426629857.db2.gz HQXNOTFPUQQRNF-IEBWSBKVSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@H](O)C[NH+](C)C2CC2)c1 ZINC000289330404 426629859 /nfs/dbraw/zinc/62/98/59/426629859.db2.gz HQXNOTFPUQQRNF-IEBWSBKVSA-N 2 1 302.462 2.895 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@H+](C)C(C)C)cc1OC ZINC000290165274 426706088 /nfs/dbraw/zinc/70/60/88/426706088.db2.gz MGTNGKXFGMUCMM-HUUCEWRRSA-N 2 1 308.466 2.953 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+][C@H](C)C[N@@H+](C)C(C)C)cc1OC ZINC000290165274 426706090 /nfs/dbraw/zinc/70/60/90/426706090.db2.gz MGTNGKXFGMUCMM-HUUCEWRRSA-N 2 1 308.466 2.953 20 0 DFADMP CSC[C@@H](O)C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000187944082 426709210 /nfs/dbraw/zinc/70/92/10/426709210.db2.gz NFOCMYOIIGUPGG-WBVHZDCISA-N 2 1 314.539 2.687 20 0 DFADMP C[C@H]([NH2+]CCN1CC=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950699 426692739 /nfs/dbraw/zinc/69/27/39/426692739.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](NCC[N@H+]1CC=CCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280950699 426692742 /nfs/dbraw/zinc/69/27/42/426692742.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](NCC[N@@H+]1CC=CCC1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000280950699 426692746 /nfs/dbraw/zinc/69/27/46/426692746.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](NCC[NH+]1CC=CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000280950699 426692749 /nfs/dbraw/zinc/69/27/49/426692749.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 2 1 313.489 2.749 20 0 DFADMP C[C@H](NCC[NH+]1CC=CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000280950699 426692753 /nfs/dbraw/zinc/69/27/53/426692753.db2.gz JRKXKTANFHKBBB-ICSRJNTNSA-N 2 1 313.489 2.749 20 0 DFADMP c1cc2cc(C[N@@H+]3CC[C@@H](CN4CCOCC4)C3)ccc2o1 ZINC000290142452 426701234 /nfs/dbraw/zinc/70/12/34/426701234.db2.gz VVESJRBAGABADG-INIZCTEOSA-N 2 1 300.402 2.587 20 0 DFADMP c1cn(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)cn1 ZINC000245737297 426766811 /nfs/dbraw/zinc/76/68/11/426766811.db2.gz QZNVZVAGKPDTTM-LDLYASANSA-N 2 1 310.445 2.668 20 0 DFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC1OCCO1 ZINC000274436397 426767664 /nfs/dbraw/zinc/76/76/64/426767664.db2.gz IAMJNPOCMXGWHK-HNNXBMFYSA-N 2 1 315.417 2.572 20 0 DFADMP COCCOCc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290494698 426777924 /nfs/dbraw/zinc/77/79/24/426777924.db2.gz OTGDUJUTXDXNAM-QFBILLFUSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1 ZINC000290494698 426777928 /nfs/dbraw/zinc/77/79/28/426777928.db2.gz OTGDUJUTXDXNAM-QFBILLFUSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1 ZINC000290494698 426777931 /nfs/dbraw/zinc/77/79/31/426777931.db2.gz OTGDUJUTXDXNAM-QFBILLFUSA-N 2 1 320.477 2.622 20 0 DFADMP COCCOCc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1 ZINC000290494698 426777935 /nfs/dbraw/zinc/77/79/35/426777935.db2.gz OTGDUJUTXDXNAM-QFBILLFUSA-N 2 1 320.477 2.622 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000266860746 426786031 /nfs/dbraw/zinc/78/60/31/426786031.db2.gz JUGADCHSBKDVFE-KCXAZCMYSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000266860746 426786034 /nfs/dbraw/zinc/78/60/34/426786034.db2.gz JUGADCHSBKDVFE-KCXAZCMYSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000266860746 426786037 /nfs/dbraw/zinc/78/60/37/426786037.db2.gz JUGADCHSBKDVFE-KCXAZCMYSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](O)c2c(F)cccc2F)[C@H](C)C1 ZINC000266860746 426786041 /nfs/dbraw/zinc/78/60/41/426786041.db2.gz JUGADCHSBKDVFE-KCXAZCMYSA-N 2 1 312.404 2.660 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@@H+]1C ZINC000245951867 426788032 /nfs/dbraw/zinc/78/80/32/426788032.db2.gz WNPDFAMKCRACET-ZPUIDXCVSA-N 2 1 310.388 2.867 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCO[C@H]2c2ccc(F)c(F)c2)CC[N@H+]1C ZINC000245951867 426788037 /nfs/dbraw/zinc/78/80/37/426788037.db2.gz WNPDFAMKCRACET-ZPUIDXCVSA-N 2 1 310.388 2.867 20 0 DFADMP CC(C)(C)c1csc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)n1 ZINC000178971437 426727552 /nfs/dbraw/zinc/72/75/52/426727552.db2.gz KOKGKPCPGUCHCT-CQSZACIVSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)(C)c1csc([C@H]2C[N@@H+](CC3CC[NH2+]CC3)CCO2)n1 ZINC000178971437 426727554 /nfs/dbraw/zinc/72/75/54/426727554.db2.gz KOKGKPCPGUCHCT-CQSZACIVSA-N 2 1 323.506 2.814 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+](C)CCCn1cc[nH+]c1C ZINC000290315141 426738079 /nfs/dbraw/zinc/73/80/79/426738079.db2.gz CMORQKJZRYASQJ-UHFFFAOYSA-N 2 1 303.454 2.572 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+](C)CCCn1cc[nH+]c1C ZINC000290315141 426738086 /nfs/dbraw/zinc/73/80/86/426738086.db2.gz CMORQKJZRYASQJ-UHFFFAOYSA-N 2 1 303.454 2.572 20 0 DFADMP CCn1nc(CN2CCC[C@H]3C[N@@H+](C)CC[C@H]32)c2ccccc21 ZINC000290309997 426739338 /nfs/dbraw/zinc/73/93/38/426739338.db2.gz CAIGHXXPRHSWET-MAUKXSAKSA-N 2 1 312.461 2.972 20 0 DFADMP C[C@@H]1CC[N@@H+](CCOc2ccc(NCc3cncn3C)cc2)C1 ZINC000266627478 426752713 /nfs/dbraw/zinc/75/27/13/426752713.db2.gz OFAZZQRPFTWSKT-OAHLLOKOSA-N 2 1 314.433 2.753 20 0 DFADMP C[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccco1 ZINC000290406308 426758429 /nfs/dbraw/zinc/75/84/29/426758429.db2.gz TYADVILOVBVFJW-CQSZACIVSA-N 2 1 303.406 2.856 20 0 DFADMP C[C@@H]1CCC[C@H](C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)C1 ZINC000245643154 426758661 /nfs/dbraw/zinc/75/86/61/426758661.db2.gz ZGAPTDHKWBDIKK-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246375434 426824897 /nfs/dbraw/zinc/82/48/97/426824897.db2.gz HWPCHTKNVOMSSS-XWTMOSNGSA-N 2 1 323.525 2.732 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H](C)[N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246375434 426824901 /nfs/dbraw/zinc/82/49/01/426824901.db2.gz HWPCHTKNVOMSSS-XWTMOSNGSA-N 2 1 323.525 2.732 20 0 DFADMP CC(C)C[NH+]1CCC[C@H](CNC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000246375434 426824904 /nfs/dbraw/zinc/82/49/04/426824904.db2.gz HWPCHTKNVOMSSS-XWTMOSNGSA-N 2 1 323.525 2.732 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N(C)CC[NH+](C)C)cc1 ZINC000267104887 426825622 /nfs/dbraw/zinc/82/56/22/426825622.db2.gz LUUHEBHSFHIWIO-UHFFFAOYSA-N 2 1 305.466 2.552 20 0 DFADMP C([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)[C@H]1COC2(CCCCCC2)O1 ZINC000180007538 426832159 /nfs/dbraw/zinc/83/21/59/426832159.db2.gz DFOVEILDPBBDKX-BBWFWOEESA-N 2 1 308.466 2.669 20 0 DFADMP COC1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCC1 ZINC000180199274 426843260 /nfs/dbraw/zinc/84/32/60/426843260.db2.gz NBFWBMMWJYAWBL-UHFFFAOYSA-N 2 1 320.452 2.991 20 0 DFADMP C[NH2+]C[C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000246553528 426845879 /nfs/dbraw/zinc/84/58/79/426845879.db2.gz UAWUPDUFOXXLJP-HUUCEWRRSA-N 2 1 303.450 2.855 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1(C)C ZINC000282215896 426856147 /nfs/dbraw/zinc/85/61/47/426856147.db2.gz HPNNCBNUXPLLKR-SFHVURJKSA-N 2 1 319.468 2.892 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179446892 426790873 /nfs/dbraw/zinc/79/08/73/426790873.db2.gz BCKCUABBEVMPBF-HNNXBMFYSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179446892 426790876 /nfs/dbraw/zinc/79/08/76/426790876.db2.gz BCKCUABBEVMPBF-HNNXBMFYSA-N 2 1 307.438 2.635 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179446892 426790880 /nfs/dbraw/zinc/79/08/80/426790880.db2.gz BCKCUABBEVMPBF-HNNXBMFYSA-N 2 1 307.438 2.635 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1NC[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309639297 426914781 /nfs/dbraw/zinc/91/47/81/426914781.db2.gz BBTSYJRKCFKUAA-GBESFXJTSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000309639297 426914790 /nfs/dbraw/zinc/91/47/90/426914790.db2.gz BBTSYJRKCFKUAA-GBESFXJTSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000309639297 426914797 /nfs/dbraw/zinc/91/47/97/426914797.db2.gz BBTSYJRKCFKUAA-GBESFXJTSA-N 3 1 301.478 2.616 20 0 DFADMP C[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@H](C)c1ccccc1 ZINC000282237957 426859794 /nfs/dbraw/zinc/85/97/94/426859794.db2.gz IYBCASZMQNVFGD-DLBZAZTESA-N 2 1 303.494 2.794 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCC[NH2+]Cc1c[nH]c2nccnc12 ZINC000290880769 426862030 /nfs/dbraw/zinc/86/20/30/426862030.db2.gz LZUHLAMIIKGOJN-CQSZACIVSA-N 2 1 301.438 2.702 20 0 DFADMP Cc1cnc(C[NH+]2CCC(C[NH+]3C[C@H](C)O[C@@H](C)C3)CC2)s1 ZINC000180465510 426862817 /nfs/dbraw/zinc/86/28/17/426862817.db2.gz WKUIIOPJZKUPNY-KBPBESRZSA-N 2 1 323.506 2.773 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1CCN(c2ccccc2)C1 ZINC000246809971 426867997 /nfs/dbraw/zinc/86/79/97/426867997.db2.gz AOGDSUXIGWAICU-MTNOOBJLSA-N 2 1 301.478 2.831 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3OC)C2)[C@@H](C)C1 ZINC000246870356 426875761 /nfs/dbraw/zinc/87/57/61/426875761.db2.gz CZBAVRJXOMXGON-BBWFWOEESA-N 2 1 317.477 2.594 20 0 DFADMP CN(CC[N@@H+](C)[C@H]1C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000291103448 426876965 /nfs/dbraw/zinc/87/69/65/426876965.db2.gz JPLQNVSGBBOWPD-OALUTQOASA-N 2 1 301.478 2.500 20 0 DFADMP CCc1nc(C)c([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)s1 ZINC000305117038 426882458 /nfs/dbraw/zinc/88/24/58/426882458.db2.gz IIFNAPCPFHRWRJ-LBPRGKRZSA-N 2 1 311.495 2.511 20 0 DFADMP C[C@@H](NCC1([NH+](C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275626342 426883633 /nfs/dbraw/zinc/88/36/33/426883633.db2.gz AMDSKGAELZNUAF-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000275626342 426883636 /nfs/dbraw/zinc/88/36/36/426883636.db2.gz AMDSKGAELZNUAF-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]([NH2+]CC1(N(C)C)CCC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000275626342 426883641 /nfs/dbraw/zinc/88/36/41/426883641.db2.gz AMDSKGAELZNUAF-MJGOQNOKSA-N 2 1 315.505 2.971 20 0 DFADMP Brc1ccccc1C[NH2+]C[C@@H]1CCc2[nH+]ccn2C1 ZINC000275639742 426884076 /nfs/dbraw/zinc/88/40/76/426884076.db2.gz SXURMXQFDJHUAP-LBPRGKRZSA-N 2 1 320.234 2.998 20 0 DFADMP Cn1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C)C2)c(C(C)(C)C)n1 ZINC000180751738 426884251 /nfs/dbraw/zinc/88/42/51/426884251.db2.gz SHFWCDZBKKBSNI-ZBFHGGJFSA-N 2 1 304.482 2.634 20 0 DFADMP CSC[C@@H](CCO)[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000305137468 426884346 /nfs/dbraw/zinc/88/43/46/426884346.db2.gz LIRNISQVHNWNSV-XJKSGUPXSA-N 2 1 319.474 2.945 20 0 DFADMP O[C@H]1CCC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000305130818 426884743 /nfs/dbraw/zinc/88/47/43/426884743.db2.gz JVBXYBZSXKNHOR-QUCCMNQESA-N 2 1 316.489 2.834 20 0 DFADMP CCN(CC[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000246982228 426885612 /nfs/dbraw/zinc/88/56/12/426885612.db2.gz KCJPFXZQVVQVGK-QLFBSQMISA-N 2 1 313.486 2.562 20 0 DFADMP C[C@@H]1C[C@@H](NCc2ccc(OC(C)(C)C)nc2)C[N@@H+]1C1CC1 ZINC000180891153 426897869 /nfs/dbraw/zinc/89/78/69/426897869.db2.gz RPTZUZDYKVERAP-UKRRQHHQSA-N 2 1 303.450 2.974 20 0 DFADMP C[C@@H]1C[C@@H](NCc2ccc(OC(C)(C)C)nc2)C[N@H+]1C1CC1 ZINC000180891153 426897875 /nfs/dbraw/zinc/89/78/75/426897875.db2.gz RPTZUZDYKVERAP-UKRRQHHQSA-N 2 1 303.450 2.974 20 0 DFADMP CC[N@H+]1CC[C@H](NC[C@H](c2ccc(C)cc2)[NH+](C)C)[C@@H](C)C1 ZINC000247062355 426897938 /nfs/dbraw/zinc/89/79/38/426897938.db2.gz PQIPJPJESQSSIA-YTQUADARSA-N 2 1 303.494 2.918 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062355 426897948 /nfs/dbraw/zinc/89/79/48/426897948.db2.gz PQIPJPJESQSSIA-YTQUADARSA-N 2 1 303.494 2.918 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H](c2ccc(C)cc2)N(C)C)[C@@H](C)C1 ZINC000247062355 426897952 /nfs/dbraw/zinc/89/79/52/426897952.db2.gz PQIPJPJESQSSIA-YTQUADARSA-N 2 1 303.494 2.918 20 0 DFADMP Clc1cc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000337648117 426899902 /nfs/dbraw/zinc/89/99/02/426899902.db2.gz YZQZTBOIUCNSHE-ZIAGYGMSSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000337648117 426899905 /nfs/dbraw/zinc/89/99/05/426899905.db2.gz YZQZTBOIUCNSHE-ZIAGYGMSSA-N 2 1 322.836 2.828 20 0 DFADMP Clc1cc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc2c1OCCO2 ZINC000337648117 426899910 /nfs/dbraw/zinc/89/99/10/426899910.db2.gz YZQZTBOIUCNSHE-ZIAGYGMSSA-N 2 1 322.836 2.828 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@H](C)c3ccc(F)cc3)C2)CC1 ZINC000275710856 426903076 /nfs/dbraw/zinc/90/30/76/426903076.db2.gz MCJIDUCRCRHLJV-LPHOPBHVSA-N 2 1 319.468 2.641 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@H](C)CCC[NH3+])cc1 ZINC000295316656 426904078 /nfs/dbraw/zinc/90/40/78/426904078.db2.gz WLKPNIAHBPQKHK-OAHLLOKOSA-N 2 1 305.466 2.776 20 0 DFADMP CC[N@H+]1CCC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000337659330 426904157 /nfs/dbraw/zinc/90/41/57/426904157.db2.gz POUXZNINPXDCLH-FQEVSTJZSA-N 2 1 315.505 2.767 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)c(C)c1 ZINC000282424030 426908866 /nfs/dbraw/zinc/90/88/66/426908866.db2.gz SUOCPVXOACBRRI-KRWDZBQOSA-N 2 1 303.494 2.980 20 0 DFADMP C[C@@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)N1CCc2ccccc2C1 ZINC000247174674 426910863 /nfs/dbraw/zinc/91/08/63/426910863.db2.gz YSFBCRQXCGFIOV-JTDSTZFVSA-N 2 1 301.478 2.506 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C(C)(C)C)n1 ZINC000317113011 426954151 /nfs/dbraw/zinc/95/41/51/426954151.db2.gz LFCQSBJRJAAFOL-GOEBONIOSA-N 2 1 304.482 2.682 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(C(C)(C)C)n1 ZINC000317113011 426954159 /nfs/dbraw/zinc/95/41/59/426954159.db2.gz LFCQSBJRJAAFOL-GOEBONIOSA-N 2 1 304.482 2.682 20 0 DFADMP COc1c(Br)cccc1C[NH2+]C[C@@H](C)C[NH+](C)C ZINC000291701613 426956720 /nfs/dbraw/zinc/95/67/20/426956720.db2.gz KELDWFZLJANKBL-LLVKDONJSA-N 2 1 315.255 2.745 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321996095 426973178 /nfs/dbraw/zinc/97/31/78/426973178.db2.gz LMYNRMJKKCVLFF-JJMVLAAESA-N 2 1 308.385 2.652 20 0 DFADMP C[C@H](C[NH2+]Cc1ccccc1OCc1cccnc1)C[NH+](C)C ZINC000291752524 426975543 /nfs/dbraw/zinc/97/55/43/426975543.db2.gz QIFHMKACSQANNJ-MRXNPFEDSA-N 2 1 313.445 2.948 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C12CCCCC2 ZINC000181751799 426981197 /nfs/dbraw/zinc/98/11/97/426981197.db2.gz GCNSPHFGJNGGPH-IRXDYDNUSA-N 2 1 324.509 2.815 20 0 DFADMP COc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000314699369 426932044 /nfs/dbraw/zinc/93/20/44/426932044.db2.gz JMZMEVPETMNKAC-YOEHRIQHSA-N 2 1 304.434 2.668 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(OC)c1 ZINC000314699369 426932051 /nfs/dbraw/zinc/93/20/51/426932051.db2.gz JMZMEVPETMNKAC-YOEHRIQHSA-N 2 1 304.434 2.668 20 0 DFADMP COc1cc(C[NH2+]C[C@H](C)C[NH+](C)C)c(SC)cc1OC ZINC000291644950 426937899 /nfs/dbraw/zinc/93/78/99/426937899.db2.gz CBDBHCJBCYTVNT-LBPRGKRZSA-N 2 1 312.479 2.713 20 0 DFADMP C[C@@H](C(=O)N1CCC[C@@H]([NH+]2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247451404 426939160 /nfs/dbraw/zinc/93/91/60/426939160.db2.gz ZDVVPEJALHRUHY-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP Cc1ccccc1-c1noc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)n1 ZINC000315951898 426942671 /nfs/dbraw/zinc/94/26/71/426942671.db2.gz KEIGASCFFYHEPI-AWEZNQCLSA-N 2 1 300.406 2.606 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000329166439 427059311 /nfs/dbraw/zinc/05/93/11/427059311.db2.gz HZZWUVXBBKZTEU-OBJOEFQTSA-N 2 1 303.406 2.800 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@@H](C)C1)c1ccc2c(c1)OCC(=O)N2 ZINC000329166439 427059317 /nfs/dbraw/zinc/05/93/17/427059317.db2.gz HZZWUVXBBKZTEU-OBJOEFQTSA-N 2 1 303.406 2.800 20 0 DFADMP C[C@H]([NH3+])CCC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000248904378 427060166 /nfs/dbraw/zinc/06/01/66/427060166.db2.gz ZQZULLMBFGRZCN-GJZGRUSLSA-N 2 1 303.450 2.984 20 0 DFADMP C[C@H]([NH2+]CCOCC(F)F)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000276158733 426997054 /nfs/dbraw/zinc/99/70/54/426997054.db2.gz CYODOKXKDAISDP-GOEBONIOSA-N 2 1 312.404 2.768 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H]1Cn1ccnc1C ZINC000248439147 427000105 /nfs/dbraw/zinc/00/01/05/427000105.db2.gz UCBXKQOQFJXCIX-HOTGVXAUSA-N 2 1 307.438 2.634 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H]1Cn1cc[nH+]c1C ZINC000248439147 427000113 /nfs/dbraw/zinc/00/01/13/427000113.db2.gz UCBXKQOQFJXCIX-HOTGVXAUSA-N 2 1 307.438 2.634 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000248557435 427013897 /nfs/dbraw/zinc/01/38/97/427013897.db2.gz IMPBMCLFDHGMOP-VVLHAWIVSA-N 2 1 323.525 2.922 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000248557435 427013904 /nfs/dbraw/zinc/01/39/04/427013904.db2.gz IMPBMCLFDHGMOP-VVLHAWIVSA-N 2 1 323.525 2.922 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](C2CC2)[NH+](C)Cc2ccccc2)CC[N@H+]1C ZINC000248583921 427015210 /nfs/dbraw/zinc/01/52/10/427015210.db2.gz WXGHQJMIFOEYKC-NSISKUIASA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](C2CC2)[N@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000248583921 427015215 /nfs/dbraw/zinc/01/52/15/427015215.db2.gz WXGHQJMIFOEYKC-NSISKUIASA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1C[C@H](NC[C@H](C2CC2)[N@@H+](C)Cc2ccccc2)CC[NH+]1C ZINC000248583921 427015222 /nfs/dbraw/zinc/01/52/22/427015222.db2.gz WXGHQJMIFOEYKC-NSISKUIASA-N 2 1 315.505 2.969 20 0 DFADMP C[C@@H]1CCCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000248590524 427017547 /nfs/dbraw/zinc/01/75/47/427017547.db2.gz ZFGNFAVPTREZIK-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@H]([NH2+]CC1([NH+](C)C)CCOCC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283458576 427017897 /nfs/dbraw/zinc/01/78/97/427017897.db2.gz VEHWNKMALRYCMZ-SZMVWBNQSA-N 2 1 302.462 2.879 20 0 DFADMP CN(CC[N@@H+](C)C1CCN(C)CC1)C(=O)CC1(C)CCCCC1 ZINC000337918057 427037905 /nfs/dbraw/zinc/03/79/05/427037905.db2.gz UNKGTHKCZZOGPI-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP CN(CCN(C)C1CC[NH+](C)CC1)C(=O)CC1(C)CCCCC1 ZINC000337918057 427037914 /nfs/dbraw/zinc/03/79/14/427037914.db2.gz UNKGTHKCZZOGPI-UHFFFAOYSA-N 2 1 323.525 2.831 20 0 DFADMP CN(C)c1ncccc1O[C@H]1CC[N@@H+](CC2CC(F)(F)C2)C1 ZINC000295998223 427042144 /nfs/dbraw/zinc/04/21/44/427042144.db2.gz PONZLLAYPBCQFV-ZDUSSCGKSA-N 2 1 311.376 2.646 20 0 DFADMP Cn1ccnc1C[C@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000182292901 427049085 /nfs/dbraw/zinc/04/90/85/427049085.db2.gz JABSRTQBKSCEBQ-OAHLLOKOSA-N 2 1 321.465 2.797 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182378002 427066238 /nfs/dbraw/zinc/06/62/38/427066238.db2.gz VLYYLEFSAQVXNR-HZPDHXFCSA-N 2 1 321.465 2.652 20 0 DFADMP CCOC(=O)[C@@H](CC(C)C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182378002 427066241 /nfs/dbraw/zinc/06/62/41/427066241.db2.gz VLYYLEFSAQVXNR-HZPDHXFCSA-N 2 1 321.465 2.652 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182378026 427066292 /nfs/dbraw/zinc/06/62/92/427066292.db2.gz VLYYLEFSAQVXNR-CVEARBPZSA-N 2 1 321.465 2.652 20 0 DFADMP CCOC(=O)[C@H](CC(C)C)[N@H+]1CCC[C@H](Cc2[nH+]ccn2C)C1 ZINC000182378026 427066300 /nfs/dbraw/zinc/06/63/00/427066300.db2.gz VLYYLEFSAQVXNR-CVEARBPZSA-N 2 1 321.465 2.652 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@H]2CCc3c(cccc3OC)C2)C1 ZINC000248989135 427072004 /nfs/dbraw/zinc/07/20/04/427072004.db2.gz GWEUDVCNGZBADT-WBVHZDCISA-N 2 1 302.462 2.874 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@H](O)CCc2ccccc2)CC1 ZINC000182438383 427075547 /nfs/dbraw/zinc/07/55/47/427075547.db2.gz NMGSGYXTPKBOSA-LJQANCHMSA-N 2 1 304.478 2.786 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+]2CCCC[C@H]2C)C12CCOCC2 ZINC000249035763 427080115 /nfs/dbraw/zinc/08/01/15/427080115.db2.gz TZUGRGSOKQNDJA-FGTMMUONSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@H](CCCC[NH3+])NC(=O)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000292097322 427088041 /nfs/dbraw/zinc/08/80/41/427088041.db2.gz OAMDRMBQHIFCAX-AEFFLSMTSA-N 2 1 317.477 2.532 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)C1 ZINC000268701088 427092986 /nfs/dbraw/zinc/09/29/86/427092986.db2.gz FPJVMZIHNPHZHE-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268701088 427092991 /nfs/dbraw/zinc/09/29/91/427092991.db2.gz FPJVMZIHNPHZHE-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000268701088 427092998 /nfs/dbraw/zinc/09/29/98/427092998.db2.gz FPJVMZIHNPHZHE-RWQQGDIJSA-N 2 1 301.478 2.579 20 0 DFADMP O[C@@H](C[NH2+][C@@H]1CCCc2cc(F)ccc21)C[NH+]1CCCCC1 ZINC000182567624 427102789 /nfs/dbraw/zinc/10/27/89/427102789.db2.gz MMXPSPAANYMBSM-FUHWJXTLSA-N 2 1 306.425 2.640 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000268734649 427106034 /nfs/dbraw/zinc/10/60/34/427106034.db2.gz DBITURAZUVMRTR-PKOBYXMFSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCCn1cccn1 ZINC000268734649 427106038 /nfs/dbraw/zinc/10/60/38/427106038.db2.gz DBITURAZUVMRTR-PKOBYXMFSA-N 2 1 312.461 2.773 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc2c(c1)CCC(=O)N2 ZINC000268765806 427109263 /nfs/dbraw/zinc/10/92/63/427109263.db2.gz JCQFWHBJUZPDNR-RRQGHBQHSA-N 2 1 313.445 2.849 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@H](C)[C@@H](C)c1ccc(OC)cc1 ZINC000268790969 427114074 /nfs/dbraw/zinc/11/40/74/427114074.db2.gz CZPNLEROKAVXGQ-HZPDHXFCSA-N 2 1 308.466 2.745 20 0 DFADMP CC(=O)Nc1ccccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000276608321 427114605 /nfs/dbraw/zinc/11/46/05/427114605.db2.gz DWGKJIHHSAFNKH-UHFFFAOYSA-N 2 1 303.450 2.857 20 0 DFADMP C[C@H](C(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000338048274 427114774 /nfs/dbraw/zinc/11/47/74/427114774.db2.gz ANRHQTBZQKXZOA-WCXIOVBPSA-N 2 1 323.525 2.874 20 0 DFADMP C[C@H](C(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338048274 427114777 /nfs/dbraw/zinc/11/47/77/427114777.db2.gz ANRHQTBZQKXZOA-WCXIOVBPSA-N 2 1 323.525 2.874 20 0 DFADMP C[C@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000338048274 427114783 /nfs/dbraw/zinc/11/47/83/427114783.db2.gz ANRHQTBZQKXZOA-WCXIOVBPSA-N 2 1 323.525 2.874 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000268783160 427115237 /nfs/dbraw/zinc/11/52/37/427115237.db2.gz QNJPOHATYABZAB-FUHWJXTLSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H](C)C1 ZINC000268783160 427115242 /nfs/dbraw/zinc/11/52/42/427115242.db2.gz QNJPOHATYABZAB-FUHWJXTLSA-N 2 1 316.493 2.892 20 0 DFADMP CNC(=O)C[C@@H](C)[NH2+]Cc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000268798703 427119264 /nfs/dbraw/zinc/11/92/64/427119264.db2.gz GXHUBFXKPVSOQD-HZPDHXFCSA-N 2 1 317.477 2.675 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000268813894 427123997 /nfs/dbraw/zinc/12/39/97/427123997.db2.gz LNQUYTSEPUQMLW-HOTGVXAUSA-N 2 1 317.477 2.675 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCCC[C@H]1C ZINC000268813901 427125368 /nfs/dbraw/zinc/12/53/68/427125368.db2.gz LNQUYTSEPUQMLW-JKSUJKDBSA-N 2 1 317.477 2.675 20 0 DFADMP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190512376 427131466 /nfs/dbraw/zinc/13/14/66/427131466.db2.gz JFQLCVHZNQDDCN-AWEZNQCLSA-N 2 1 307.413 2.548 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Oc2ccc(F)nc2)CC1 ZINC000190512376 427131471 /nfs/dbraw/zinc/13/14/71/427131471.db2.gz JFQLCVHZNQDDCN-AWEZNQCLSA-N 2 1 307.413 2.548 20 0 DFADMP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000296275930 427131867 /nfs/dbraw/zinc/13/18/67/427131867.db2.gz DWMTXIZEOYWWLU-IIDMSEBBSA-N 2 1 320.502 2.748 20 0 DFADMP C[C@@H]1CSC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000296275930 427131872 /nfs/dbraw/zinc/13/18/72/427131872.db2.gz DWMTXIZEOYWWLU-IIDMSEBBSA-N 2 1 320.502 2.748 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268829565 427132885 /nfs/dbraw/zinc/13/28/85/427132885.db2.gz QNJFUXYXJIJUEK-LMMKCTJWSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H](Cn1ccnc1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000268829565 427132889 /nfs/dbraw/zinc/13/28/89/427132889.db2.gz QNJFUXYXJIJUEK-LMMKCTJWSA-N 2 1 312.461 2.914 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000284108211 427133834 /nfs/dbraw/zinc/13/38/34/427133834.db2.gz SPCFEYDJNYEDGY-HNNXBMFYSA-N 2 1 314.433 2.719 20 0 DFADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n(C)n1 ZINC000284230212 427160897 /nfs/dbraw/zinc/16/08/97/427160897.db2.gz HSJGYOFRNHSMBC-SJLPKXTDSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)n(C)n1 ZINC000284230212 427160905 /nfs/dbraw/zinc/16/09/05/427160905.db2.gz HSJGYOFRNHSMBC-SJLPKXTDSA-N 2 1 312.461 2.729 20 0 DFADMP C[NH+]1CCC([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000284178600 427147925 /nfs/dbraw/zinc/14/79/25/427147925.db2.gz AIXIBCVVOUUJAH-HNNXBMFYSA-N 2 1 324.266 2.979 20 0 DFADMP C/C(=C\c1ccc(Cl)cc1)C[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000338143704 427157903 /nfs/dbraw/zinc/15/79/03/427157903.db2.gz NRQOPHQZZXRCOA-IDKBZEPQSA-N 2 1 308.853 2.790 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)Cc3occc32)CC1 ZINC000128330563 271033978 /nfs/dbraw/zinc/03/39/78/271033978.db2.gz KKYHHRNIUYSVBG-QGZVFWFLSA-N 2 1 319.493 2.910 20 0 DFADMP CC(C)([NH2+]CCC[NH+]1CCCCC1)C(=O)NCC1CCCCC1 ZINC000162190030 271083186 /nfs/dbraw/zinc/08/31/86/271083186.db2.gz PWUBEXLUBCCDPI-UHFFFAOYSA-N 2 1 323.525 2.927 20 0 DFADMP C[N@@H+](CCCn1ccnc1)C1CCN(Cc2ccccc2)CC1 ZINC000182909776 427165426 /nfs/dbraw/zinc/16/54/26/427165426.db2.gz SGCHHWBJXLPQQD-UHFFFAOYSA-N 3 1 312.461 2.870 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cn1 ZINC000190715042 427165513 /nfs/dbraw/zinc/16/55/13/427165513.db2.gz VHSJLSFCVASCCD-UHFFFAOYSA-N 2 1 302.466 2.643 20 0 DFADMP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000266117594 271283812 /nfs/dbraw/zinc/28/38/12/271283812.db2.gz IKUVFHBYSWJJDZ-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000266117594 271283813 /nfs/dbraw/zinc/28/38/13/271283813.db2.gz IKUVFHBYSWJJDZ-QZTJIDSGSA-N 2 1 317.477 2.622 20 0 DFADMP COc1cccc(CNCc2ccc(Cn3ccnc3)cc2)n1 ZINC000190753505 427173067 /nfs/dbraw/zinc/17/30/67/427173067.db2.gz FZDOOYUZRNCFQO-UHFFFAOYSA-N 2 1 308.385 2.625 20 0 DFADMP C[N@@H+](CCCN1CC[NH+](C)CC1)[C@@H]1CCc2c1cccc2Cl ZINC000182960160 427174864 /nfs/dbraw/zinc/17/48/64/427174864.db2.gz QKWKMZDDPDIQOX-GOSISDBHSA-N 2 1 321.896 2.897 20 0 DFADMP CCCc1ccc(C[N@@H+](C)CCCN2CC[NH+](C)CC2)cc1 ZINC000182965748 427175782 /nfs/dbraw/zinc/17/57/82/427175782.db2.gz KISCWRSGRLMLAV-UHFFFAOYSA-N 2 1 303.494 2.708 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]Cc2cncn2C)C[N@H+]1Cc1ccccc1 ZINC000338196214 427185864 /nfs/dbraw/zinc/18/58/64/427185864.db2.gz NIBNKRDOLYRWHK-SJLPKXTDSA-N 2 1 312.461 2.810 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+]C[C@@H](C)c1cc(F)cc(F)c1 ZINC000296465970 427190182 /nfs/dbraw/zinc/19/01/82/427190182.db2.gz OZYMMRIOGFGMQZ-CYBMUJFWSA-N 2 1 300.393 2.626 20 0 DFADMP C[C@H]1O[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@H](C)C2)c1 ZINC000296485976 427195855 /nfs/dbraw/zinc/19/58/55/427195855.db2.gz QHYJSINOYQESOT-WFXMFSGNSA-N 2 1 318.461 2.563 20 0 DFADMP C[C@H]1O[C@@H](C)C[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@H](C)C2)c1 ZINC000296485976 427195863 /nfs/dbraw/zinc/19/58/63/427195863.db2.gz QHYJSINOYQESOT-WFXMFSGNSA-N 2 1 318.461 2.563 20 0 DFADMP CCCCN(C)C(=O)C1CC[NH+](CCC[NH+](CC)CC)CC1 ZINC000338230687 427205283 /nfs/dbraw/zinc/20/52/83/427205283.db2.gz ICRSEJGRVIYHDX-UHFFFAOYSA-N 2 1 311.514 2.689 20 0 DFADMP CCN(C)C(=O)CC[NH2+][C@@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000183145807 427211952 /nfs/dbraw/zinc/21/19/52/427211952.db2.gz JDPHGBBLTPSFBN-AWEZNQCLSA-N 2 1 314.433 2.700 20 0 DFADMP C[C@@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000277496776 427221654 /nfs/dbraw/zinc/22/16/54/427221654.db2.gz OMRZTFKVJGZVQT-HZPDHXFCSA-N 2 1 317.477 2.805 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCO[C@@H]1CCCCO1 ZINC000338310593 427251768 /nfs/dbraw/zinc/25/17/68/427251768.db2.gz ZNQWRMGWMYYURV-DLBZAZTESA-N 2 1 307.438 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCO[C@@H]1CCCCO1 ZINC000338310593 427251774 /nfs/dbraw/zinc/25/17/74/427251774.db2.gz ZNQWRMGWMYYURV-DLBZAZTESA-N 2 1 307.438 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCCO[C@H]1CCCCO1 ZINC000338310598 427252626 /nfs/dbraw/zinc/25/26/26/427252626.db2.gz ZNQWRMGWMYYURV-IRXDYDNUSA-N 2 1 307.438 2.589 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCCO[C@H]1CCCCO1 ZINC000338310598 427252630 /nfs/dbraw/zinc/25/26/30/427252630.db2.gz ZNQWRMGWMYYURV-IRXDYDNUSA-N 2 1 307.438 2.589 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](C[C@@H]3CCCC(F)(F)C3)C2)CC1 ZINC000338309195 427253606 /nfs/dbraw/zinc/25/36/06/427253606.db2.gz UPXWSAMCPRZNPY-CVEARBPZSA-N 2 1 315.452 2.524 20 0 DFADMP CSC[C@@H](O)C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000338322043 427258530 /nfs/dbraw/zinc/25/85/30/427258530.db2.gz SCUODQZHJSJOPX-IRXDYDNUSA-N 2 1 322.518 2.601 20 0 DFADMP CSC[C@@H](O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000338322043 427258534 /nfs/dbraw/zinc/25/85/34/427258534.db2.gz SCUODQZHJSJOPX-IRXDYDNUSA-N 2 1 322.518 2.601 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000183387949 427261388 /nfs/dbraw/zinc/26/13/88/427261388.db2.gz IXRIANROVCZUKJ-OAHLLOKOSA-N 2 1 318.465 2.532 20 0 DFADMP COCC[N@H+](CCCCn1cc[nH+]c1C)Cc1cccnc1 ZINC000191125819 427262413 /nfs/dbraw/zinc/26/24/13/427262413.db2.gz KJZUOEMUFXCNOG-UHFFFAOYSA-N 2 1 302.422 2.515 20 0 DFADMP COCC[N@@H+](CCCCn1cc[nH+]c1C)Cc1cccnc1 ZINC000191125819 427262421 /nfs/dbraw/zinc/26/24/21/427262421.db2.gz KJZUOEMUFXCNOG-UHFFFAOYSA-N 2 1 302.422 2.515 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@H](Cc1nc(C)no1)c1ccccc1 ZINC000338355343 427273062 /nfs/dbraw/zinc/27/30/62/427273062.db2.gz JATXPNRYKSWWAU-QGZVFWFLSA-N 2 1 316.449 2.983 20 0 DFADMP C[C@H]1C[N@@H+](CCCNCc2cc(F)c(F)c(F)c2)CCCO1 ZINC000277658227 427274191 /nfs/dbraw/zinc/27/41/91/427274191.db2.gz FFLPHZIZUCDRHC-LBPRGKRZSA-N 2 1 316.367 2.694 20 0 DFADMP C[C@H]1CN(CCC[NH2+]Cc2cc(F)c(F)c(F)c2)CCCO1 ZINC000277658227 427274195 /nfs/dbraw/zinc/27/41/95/427274195.db2.gz FFLPHZIZUCDRHC-LBPRGKRZSA-N 2 1 316.367 2.694 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(Cl)s2)CCCO1 ZINC000277675380 427283091 /nfs/dbraw/zinc/28/30/91/427283091.db2.gz GKBVPYWGIYBKHT-LBPRGKRZSA-N 2 1 302.871 2.992 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]Cc2ccc(Cl)s2)CCCO1 ZINC000277675380 427283096 /nfs/dbraw/zinc/28/30/96/427283096.db2.gz GKBVPYWGIYBKHT-LBPRGKRZSA-N 2 1 302.871 2.992 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]Cc1cncc(Br)c1 ZINC000183719045 427328983 /nfs/dbraw/zinc/32/89/83/427328983.db2.gz KSUNBXFACXSIQQ-UHFFFAOYSA-N 2 1 323.238 2.919 20 0 DFADMP CCc1ccccc1CC[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000277822850 427329966 /nfs/dbraw/zinc/32/99/66/427329966.db2.gz VSKAYLIRMUEEHZ-KRWDZBQOSA-N 2 1 318.505 2.816 20 0 DFADMP COc1cccc(C[N@H+](C[C@@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)c1 ZINC000261707858 427337858 /nfs/dbraw/zinc/33/78/58/427337858.db2.gz DHXNYUFNMVFRIS-RBUKOAKNSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(C[N@@H+](C[C@@H]2CCCO2)C[C@]2(C)CC[NH2+]C2)c1 ZINC000261707858 427337864 /nfs/dbraw/zinc/33/78/64/427337864.db2.gz DHXNYUFNMVFRIS-RBUKOAKNSA-N 2 1 318.461 2.676 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000261965855 427348069 /nfs/dbraw/zinc/34/80/69/427348069.db2.gz PZEWVEVBJBGODS-FVVUREQNSA-N 2 1 300.446 2.679 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000262025669 427349134 /nfs/dbraw/zinc/34/91/34/427349134.db2.gz WZXJPNAQNRCZQD-INDMIFKZSA-N 2 1 300.446 2.811 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](Cc1cccc(OC)c1)C1CC1 ZINC000269849273 427292503 /nfs/dbraw/zinc/29/25/03/427292503.db2.gz FLMAEWLEVTVACR-IBGZPJMESA-N 2 1 320.477 2.574 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CCC([N@@H+](C)CCO)CC3)c2c1 ZINC000296990555 427297686 /nfs/dbraw/zinc/29/76/86/427297686.db2.gz FICGTGRIIPJALH-UHFFFAOYSA-N 2 1 313.445 2.690 20 0 DFADMP CCc1nn(C)c(Cl)c1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297651257 427418832 /nfs/dbraw/zinc/41/88/32/427418832.db2.gz YEDCKNXNNRNWQB-UHFFFAOYSA-N 2 1 303.797 2.573 20 0 DFADMP COc1ccc([C@H](C)C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000278066642 427397363 /nfs/dbraw/zinc/39/73/63/427397363.db2.gz ZCHQKDJLQQXJEG-SJORKVTESA-N 2 1 320.477 2.889 20 0 DFADMP Cc1cc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc(N2CCCC2)n1 ZINC000297504764 427406830 /nfs/dbraw/zinc/40/68/30/427406830.db2.gz VKATUPBNGXTMAW-UHFFFAOYSA-N 2 1 314.477 2.707 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H](C)c3cscn3)CC2)nc(C)[nH+]1 ZINC000271125096 427411178 /nfs/dbraw/zinc/41/11/78/427411178.db2.gz KJZNJYKMNQQTGL-GFCCVEGCSA-N 2 1 317.462 2.870 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H](C)C1 ZINC000293720767 427413087 /nfs/dbraw/zinc/41/30/87/427413087.db2.gz NQOPCOMYFMDEJW-WFASDCNBSA-N 2 1 315.383 2.963 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000297219125 427363243 /nfs/dbraw/zinc/36/32/43/427363243.db2.gz MOBCBHGHBCRNSF-SFHVURJKSA-N 2 1 322.412 2.644 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CCNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1 ZINC000262681455 427366447 /nfs/dbraw/zinc/36/64/47/427366447.db2.gz XMZQTLRIQHYXSU-JQHSSLGASA-N 2 1 317.477 2.703 20 0 DFADMP C[C@H]1C[C@@H](N(C)Cc2cnc3ccc(Cl)cn23)CC[N@H+]1C ZINC000271206532 427450550 /nfs/dbraw/zinc/45/05/50/427450550.db2.gz RWMOOAJMSCRNFN-JSGCOSHPSA-N 2 1 306.841 2.902 20 0 DFADMP C[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)[C@@H]1C[C@@H]1c1ccccc1 ZINC000338778491 427481185 /nfs/dbraw/zinc/48/11/85/427481185.db2.gz FAYHNGQEHYJLQL-YTQUADARSA-N 2 1 315.505 2.794 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@H](C)[C@@H](C)[NH3+])c2C1 ZINC000192107248 427482860 /nfs/dbraw/zinc/48/28/60/427482860.db2.gz MJODTFRUUVSERK-ZIAGYGMSSA-N 2 1 303.450 2.970 20 0 DFADMP CC[NH+](CC)[C@@H]1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000271283179 427483642 /nfs/dbraw/zinc/48/36/42/427483642.db2.gz OLNZFMRSGFFTHX-RTBURBONSA-N 2 1 301.478 2.677 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000297686678 427430186 /nfs/dbraw/zinc/43/01/86/427430186.db2.gz POBCOKOQYYELQL-KRWDZBQOSA-N 2 1 319.836 2.607 20 0 DFADMP Cc1ccnc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)c1 ZINC000286142495 427437283 /nfs/dbraw/zinc/43/72/83/427437283.db2.gz OLGBGSVCJSSDMR-OAHLLOKOSA-N 2 1 314.433 2.576 20 0 DFADMP C[C@@H](CO)[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000286150681 427438197 /nfs/dbraw/zinc/43/81/97/427438197.db2.gz PJPBJRBHFDTRAX-JCHJZTRSSA-N 2 1 302.462 2.648 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](C)CC2)c2ccccc21 ZINC000338686311 427439429 /nfs/dbraw/zinc/43/94/29/427439429.db2.gz FPWQJIMEXASJKL-QZTJIDSGSA-N 2 1 316.445 2.852 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2c(C)nc3sc(C)nn23)[C@H](C)C1 ZINC000271192987 427443350 /nfs/dbraw/zinc/44/33/50/427443350.db2.gz MRZNPTKKRBCGTE-RISCZKNCSA-N 2 1 321.494 2.570 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](N[C@H](C[NH+](C)C)c2ccc(Cl)cc2)C1 ZINC000338794732 427492413 /nfs/dbraw/zinc/49/24/13/427492413.db2.gz RAQAJNARKJARSN-IAOVAPTHSA-N 2 1 309.885 2.873 20 0 DFADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1c1cc[nH+]cc1Br ZINC000286383865 427509988 /nfs/dbraw/zinc/50/99/88/427509988.db2.gz ONYXOGMJUVAHLD-VXGBXAGGSA-N 2 1 310.239 2.907 20 0 DFADMP C[NH+](C)CCC1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271435824 427536433 /nfs/dbraw/zinc/53/64/33/427536433.db2.gz QRCTZUHSVKCVEJ-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](C)CCC1CCN([C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000271435824 427536441 /nfs/dbraw/zinc/53/64/41/427536441.db2.gz QRCTZUHSVKCVEJ-HXUWFJFHSA-N 2 1 315.505 2.925 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000271456838 427544543 /nfs/dbraw/zinc/54/45/43/427544543.db2.gz GWCOQPRFNKDVLN-TUKIKUTGSA-N 2 1 314.832 2.832 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@@H](O)c2c(F)cccc2Cl)[C@@H](C)C1 ZINC000271456838 427544551 /nfs/dbraw/zinc/54/45/51/427544551.db2.gz GWCOQPRFNKDVLN-TUKIKUTGSA-N 2 1 314.832 2.832 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)cc1 ZINC000271460839 427546845 /nfs/dbraw/zinc/54/68/45/427546845.db2.gz HGOWKCOHHPTXAJ-PCODUJHASA-N 2 1 318.461 2.988 20 0 DFADMP COc1ccc(OCC[N@@H+](C)C2CC[NH+](C(C)C)CC2)cc1 ZINC000263732724 427551587 /nfs/dbraw/zinc/55/15/87/427551587.db2.gz QGPKWXUEYPSXBE-UHFFFAOYSA-N 2 1 306.450 2.879 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@H](C[NH+]4CCCC4)C3)C2)cc1 ZINC000271470970 427552122 /nfs/dbraw/zinc/55/21/22/427552122.db2.gz YYBFGNKKVBNROG-UXHICEINSA-N 2 1 313.489 2.679 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CC(C)(C)OCCO)cc1 ZINC000287481742 427621287 /nfs/dbraw/zinc/62/12/87/427621287.db2.gz XDAJBJMIHSJFRJ-AWEZNQCLSA-N 2 1 317.433 2.619 20 0 DFADMP Cc1ccncc1[C@@H](C)[NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000271485629 427556948 /nfs/dbraw/zinc/55/69/48/427556948.db2.gz IXCKUQXTLDNIEC-HZPDHXFCSA-N 2 1 303.450 2.542 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000271524068 427571717 /nfs/dbraw/zinc/57/17/17/427571717.db2.gz PVULXHYMCRSZII-BMGDILEWSA-N 2 1 318.461 2.724 20 0 DFADMP CCc1oc(C[NH2+]C[C@@H](C)Cn2cc[nH+]c2C)cc1C(=O)OC ZINC000338943238 427578506 /nfs/dbraw/zinc/57/85/06/427578506.db2.gz JCCRKPNALQNWDX-GFCCVEGCSA-N 2 1 319.405 2.559 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCCOC4)[C@H]3C2)cc1 ZINC000287335754 427580628 /nfs/dbraw/zinc/58/06/28/427580628.db2.gz MQVDOLPGWFWASM-CADBVGFASA-N 2 1 300.446 2.666 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000271666559 427582099 /nfs/dbraw/zinc/58/20/99/427582099.db2.gz MCRIRAHDRMZSDE-HOCLYGCPSA-N 2 1 324.490 2.615 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000271666559 427582105 /nfs/dbraw/zinc/58/21/05/427582105.db2.gz MCRIRAHDRMZSDE-HOCLYGCPSA-N 2 1 324.490 2.615 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCN1CCc2ccccc21 ZINC000192702902 427592125 /nfs/dbraw/zinc/59/21/25/427592125.db2.gz IAHFVHYKLRCQLC-RYRKJORJSA-N 2 1 301.478 2.758 20 0 DFADMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nc2ncccn12 ZINC000298420552 427605565 /nfs/dbraw/zinc/60/55/65/427605565.db2.gz MOQDUGYCVJFBNK-UHFFFAOYSA-N 2 1 321.428 2.615 20 0 DFADMP OCCCCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000192922610 427634755 /nfs/dbraw/zinc/63/47/55/427634755.db2.gz FTBUCCKLZDTTFZ-YQQQUEKLSA-N 2 1 302.462 2.934 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000287586818 427646910 /nfs/dbraw/zinc/64/69/10/427646910.db2.gz RJWLQEINJCKPNX-NVXWUHKLSA-N 2 1 306.450 2.674 20 0 DFADMP CCN1CC[NH+](CCCC[NH2+]Cc2sccc2Cl)CC1 ZINC000193003394 427648770 /nfs/dbraw/zinc/64/87/70/427648770.db2.gz PVENVSFJUIFLTQ-UHFFFAOYSA-N 2 1 315.914 2.909 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339068609 427658510 /nfs/dbraw/zinc/65/85/10/427658510.db2.gz RTGKWZCBOOWHRA-ZWKOTPCHSA-N 2 1 314.477 2.788 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339068609 427658516 /nfs/dbraw/zinc/65/85/16/427658516.db2.gz RTGKWZCBOOWHRA-ZWKOTPCHSA-N 2 1 314.477 2.788 20 0 DFADMP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@H+]2C(C)C)[NH+](CC)CC ZINC000342565835 272025379 /nfs/dbraw/zinc/02/53/79/272025379.db2.gz HTEIRRNAERXMOU-IKGGRYGDSA-N 2 1 309.498 2.581 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)C1CCCCC1 ZINC000342671102 272039975 /nfs/dbraw/zinc/03/99/75/272039975.db2.gz SSMNEPZWPRYORV-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@H+](C)C1CCCCC1 ZINC000342671102 272039978 /nfs/dbraw/zinc/03/99/78/272039978.db2.gz SSMNEPZWPRYORV-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N(C)CC[N@@H+](C)C1CCCCC1 ZINC000342671102 272039981 /nfs/dbraw/zinc/03/99/81/272039981.db2.gz SSMNEPZWPRYORV-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP C[NH+](C)CC1(CNc2cc[nH+]cc2Br)CCCC1 ZINC000342833076 272061891 /nfs/dbraw/zinc/06/18/91/272061891.db2.gz WWRGWQIZBCQSQI-UHFFFAOYSA-N 2 1 312.255 2.800 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCC[C@H]([NH+]2[C@@H](C)CC[C@@H]2C)C1 ZINC000342859988 272063003 /nfs/dbraw/zinc/06/30/03/272063003.db2.gz MWQNNRIRWQUAHO-BQFCYCMXSA-N 2 1 304.482 2.919 20 0 DFADMP Cc1nccn1CCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000342863885 272063466 /nfs/dbraw/zinc/06/34/66/272063466.db2.gz KCGBPPCABNPZEW-UHFFFAOYSA-N 2 1 321.428 2.826 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CCc2c(cnn2-c2ccccc2)C1 ZINC000342863885 272063470 /nfs/dbraw/zinc/06/34/70/272063470.db2.gz KCGBPPCABNPZEW-UHFFFAOYSA-N 2 1 321.428 2.826 20 0 DFADMP Cn1cc(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C(C)(C)C)n1 ZINC000342904840 272065960 /nfs/dbraw/zinc/06/59/60/272065960.db2.gz VOIDAPGEZQHEMM-INIZCTEOSA-N 2 1 318.509 2.881 20 0 DFADMP Cn1cc(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c(C(C)(C)C)n1 ZINC000342904840 272065961 /nfs/dbraw/zinc/06/59/61/272065961.db2.gz VOIDAPGEZQHEMM-INIZCTEOSA-N 2 1 318.509 2.881 20 0 DFADMP Cn1cc(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c(C(C)(C)C)n1 ZINC000342904840 272065962 /nfs/dbraw/zinc/06/59/62/272065962.db2.gz VOIDAPGEZQHEMM-INIZCTEOSA-N 2 1 318.509 2.881 20 0 DFADMP Cn1cc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c(C(C)(C)C)n1 ZINC000342904840 272065964 /nfs/dbraw/zinc/06/59/64/272065964.db2.gz VOIDAPGEZQHEMM-INIZCTEOSA-N 2 1 318.509 2.881 20 0 DFADMP CC[N@H+]1C[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000342954524 272071033 /nfs/dbraw/zinc/07/10/33/272071033.db2.gz YJDBJFIFWJZALA-WDSOQIARSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@@H+]1C[C@H](NC[C@@H](c2ccccc2)[NH+]2CCCC2)[C@@H](C)C1 ZINC000342954524 272071035 /nfs/dbraw/zinc/07/10/35/272071035.db2.gz YJDBJFIFWJZALA-WDSOQIARSA-N 2 1 301.478 2.753 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1)[NH+](C)C ZINC000343207944 272096426 /nfs/dbraw/zinc/09/64/26/272096426.db2.gz BLKYQEUKLADXNK-YYIAUSFCSA-N 2 1 309.498 2.581 20 0 DFADMP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000343473893 272155858 /nfs/dbraw/zinc/15/58/58/272155858.db2.gz MBUXFBMEJUZKDT-MBOZVWFJSA-N 2 1 315.505 2.958 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cn(C(C)C)nc2C)C1 ZINC000343548456 272167825 /nfs/dbraw/zinc/16/78/25/272167825.db2.gz KCOFRPYSCOFRCB-SFHVURJKSA-N 2 1 322.497 2.705 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000343609176 272183181 /nfs/dbraw/zinc/18/31/81/272183181.db2.gz GMZROOCGYUIWGV-LSDHHAIUSA-N 2 1 314.458 2.922 20 0 DFADMP c1nc(-c2ccncc2)sc1C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000343609176 272183182 /nfs/dbraw/zinc/18/31/82/272183182.db2.gz GMZROOCGYUIWGV-LSDHHAIUSA-N 2 1 314.458 2.922 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000298682265 427675584 /nfs/dbraw/zinc/67/55/84/427675584.db2.gz GVPMNWOVSVGJSA-ZDUSSCGKSA-N 2 1 324.852 2.933 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cc(Cl)c3c(c2)OCCCO3)C1 ZINC000298682265 427675591 /nfs/dbraw/zinc/67/55/91/427675591.db2.gz GVPMNWOVSVGJSA-ZDUSSCGKSA-N 2 1 324.852 2.933 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2c1 ZINC000343642141 272191901 /nfs/dbraw/zinc/19/19/01/272191901.db2.gz YNFHSFUIWQQKGQ-KGLIPLIRSA-N 2 1 304.825 2.704 20 0 DFADMP Clc1ccc2ncc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)n2c1 ZINC000343642141 272191902 /nfs/dbraw/zinc/19/19/02/272191902.db2.gz YNFHSFUIWQQKGQ-KGLIPLIRSA-N 2 1 304.825 2.704 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000343833508 272227855 /nfs/dbraw/zinc/22/78/55/272227855.db2.gz ORKGLSOEYDNTSK-SJLPKXTDSA-N 2 1 302.462 2.543 20 0 DFADMP C[C@@H]([NH2+]C[C@]1(O)CC[N@@H+](C)C1)C1(c2ccccc2)CCCC1 ZINC000343833508 272227857 /nfs/dbraw/zinc/22/78/57/272227857.db2.gz ORKGLSOEYDNTSK-SJLPKXTDSA-N 2 1 302.462 2.543 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000343916097 272237378 /nfs/dbraw/zinc/23/73/78/272237378.db2.gz AKLHSURFHORKCS-AOIWGVFYSA-N 2 1 301.478 2.705 20 0 DFADMP Cc1cccc(C)c1C[N@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343922052 272237767 /nfs/dbraw/zinc/23/77/67/272237767.db2.gz KNNPWYUJHCMDJP-ICSRJNTNSA-N 2 1 315.505 2.761 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@H](c3ccccc3)O2)CC1 ZINC000343972316 272245714 /nfs/dbraw/zinc/24/57/14/272245714.db2.gz DQRMWLWPQREESR-RBUKOAKNSA-N 2 1 318.461 2.607 20 0 DFADMP C[C@@H]1CCc2nc(C[NH2+]C[C@H]3CCc4[nH+]ccn4C3)sc2C1 ZINC000344084580 272259907 /nfs/dbraw/zinc/25/99/07/272259907.db2.gz BHMNWILLCNGOLR-CHWSQXEVSA-N 2 1 316.474 2.817 20 0 DFADMP Fc1ccc(C[NH2+]C[C@H]2CCc3[nH+]ccn3C2)c2ncccc12 ZINC000344089070 272261199 /nfs/dbraw/zinc/26/11/99/272261199.db2.gz LMNKVFQYWADRSC-CYBMUJFWSA-N 2 1 310.376 2.923 20 0 DFADMP CCC[N@@H+](CCN1CC[NH+](CC)CC1)Cc1ccccc1F ZINC000344142763 272272578 /nfs/dbraw/zinc/27/25/78/272272578.db2.gz MIYXQLCNBVENRJ-UHFFFAOYSA-N 2 1 307.457 2.675 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@H](C)[C@H](OC)c2ccccc2F)CC1 ZINC000344281009 272303874 /nfs/dbraw/zinc/30/38/74/272303874.db2.gz AAWSXZPNNLTRDR-KDOFPFPSSA-N 2 1 324.440 2.602 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3=CC[N@@H+](C)CC3)CC2)C1 ZINC000344292177 272306118 /nfs/dbraw/zinc/30/61/18/272306118.db2.gz FSXUBTFSCQECNP-APWZRJJASA-N 2 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3=CC[N@H+](C)CC3)CC2)C1 ZINC000344292177 272306121 /nfs/dbraw/zinc/30/61/21/272306121.db2.gz FSXUBTFSCQECNP-APWZRJJASA-N 2 1 305.510 2.881 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC(NCC3=CC[N@@H+](C)CC3)CC2)C1 ZINC000344292177 272306122 /nfs/dbraw/zinc/30/61/22/272306122.db2.gz FSXUBTFSCQECNP-APWZRJJASA-N 2 1 305.510 2.881 20 0 DFADMP CO[C@H]1CCC[C@H]1C[NH2+]Cc1nc2c(s1)C[N@@H+](C(C)C)CC2 ZINC000344335070 272315642 /nfs/dbraw/zinc/31/56/42/272315642.db2.gz QRHQTSZNMVWGIF-ZFWWWQNUSA-N 2 1 323.506 2.814 20 0 DFADMP CO[C@H]1CCC[C@H]1C[NH2+]Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000344335070 272315645 /nfs/dbraw/zinc/31/56/45/272315645.db2.gz QRHQTSZNMVWGIF-ZFWWWQNUSA-N 2 1 323.506 2.814 20 0 DFADMP Cn1c2c(nc1[C@@H]1CCCN1CC[C@H]1CCC[N@H+]1C)CCCC2 ZINC000344362674 272320855 /nfs/dbraw/zinc/32/08/55/272320855.db2.gz IQHJKDQPEGEBRO-QAPCUYQASA-N 2 1 316.493 2.920 20 0 DFADMP CCc1ccc(CNC[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)o1 ZINC000344525293 272333761 /nfs/dbraw/zinc/33/37/61/272333761.db2.gz IATCHWLDWISKHR-IBGZPJMESA-N 2 1 314.429 2.569 20 0 DFADMP CCC[N@@H+](C)CC(=O)Nc1cccc2c1C[NH+](CC(C)C)C2 ZINC000344537344 272335749 /nfs/dbraw/zinc/33/57/49/272335749.db2.gz SAJTZMORMHNDEJ-UHFFFAOYSA-N 2 1 303.450 2.939 20 0 DFADMP CCC[NH+](C)CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000344537344 272335750 /nfs/dbraw/zinc/33/57/50/272335750.db2.gz SAJTZMORMHNDEJ-UHFFFAOYSA-N 2 1 303.450 2.939 20 0 DFADMP CCC[NH+](C)CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000344537344 272335751 /nfs/dbraw/zinc/33/57/51/272335751.db2.gz SAJTZMORMHNDEJ-UHFFFAOYSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c1 ZINC000344554333 272337082 /nfs/dbraw/zinc/33/70/82/272337082.db2.gz WBBLGXLFLHBXBT-HXUWFJFHSA-N 2 1 310.441 2.722 20 0 DFADMP Cc1cccc(C[NH2+]C[C@]2(O)CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000344554333 272337085 /nfs/dbraw/zinc/33/70/85/272337085.db2.gz WBBLGXLFLHBXBT-HXUWFJFHSA-N 2 1 310.441 2.722 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@H+](C)[C@H](C)C3)cnc21 ZINC000344637974 272350638 /nfs/dbraw/zinc/35/06/38/272350638.db2.gz XAQBSRAPSVJUMW-CZUORRHYSA-N 2 1 301.438 2.585 20 0 DFADMP CC(C)n1ncc2cc(C[NH2+][C@@H]3CC[N@@H+](C)[C@H](C)C3)cnc21 ZINC000344637974 272350640 /nfs/dbraw/zinc/35/06/40/272350640.db2.gz XAQBSRAPSVJUMW-CZUORRHYSA-N 2 1 301.438 2.585 20 0 DFADMP COC[C@H]1CCCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000344882840 272381363 /nfs/dbraw/zinc/38/13/63/272381363.db2.gz ANRWZFQWHMXIMK-INIZCTEOSA-N 2 1 314.433 2.824 20 0 DFADMP CCn1nccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272257364 427688793 /nfs/dbraw/zinc/68/87/93/427688793.db2.gz ZJMUNZNKVKEIRR-AEFFLSMTSA-N 2 1 312.461 2.903 20 0 DFADMP CCn1nccc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272257364 427688799 /nfs/dbraw/zinc/68/87/99/427688799.db2.gz ZJMUNZNKVKEIRR-AEFFLSMTSA-N 2 1 312.461 2.903 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295099576 427690913 /nfs/dbraw/zinc/69/09/13/427690913.db2.gz UQIRFOCEESNGHD-MVCQKVDPSA-N 2 1 320.452 2.988 20 0 DFADMP C[C@H](N[C@@H]1CC[N@@H+](C)[C@@H](C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272278115 427695892 /nfs/dbraw/zinc/69/58/92/427695892.db2.gz CMJONURMUSGRDS-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272278115 427695895 /nfs/dbraw/zinc/69/58/95/427695895.db2.gz CMJONURMUSGRDS-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H](N[C@@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272278115 427695897 /nfs/dbraw/zinc/69/58/97/427695897.db2.gz CMJONURMUSGRDS-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP [NH3+]C1CC[NH+](CCCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000339358189 427759598 /nfs/dbraw/zinc/75/95/98/427759598.db2.gz GGVYDPSEXRPLLR-UHFFFAOYSA-N 2 1 320.824 2.746 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000336855579 427761131 /nfs/dbraw/zinc/76/11/31/427761131.db2.gz ILQQSHJXQPBGCM-HUUCEWRRSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)no1 ZINC000336855579 427761134 /nfs/dbraw/zinc/76/11/34/427761134.db2.gz ILQQSHJXQPBGCM-HUUCEWRRSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)no1 ZINC000336855579 427761136 /nfs/dbraw/zinc/76/11/36/427761136.db2.gz ILQQSHJXQPBGCM-HUUCEWRRSA-N 2 1 306.454 2.857 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)no1 ZINC000336855579 427761139 /nfs/dbraw/zinc/76/11/39/427761139.db2.gz ILQQSHJXQPBGCM-HUUCEWRRSA-N 2 1 306.454 2.857 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCC[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000193976447 427725390 /nfs/dbraw/zinc/72/53/90/427725390.db2.gz OZWVFRDXBJXSTR-CWQOZTLDSA-N 2 1 306.494 2.902 20 0 DFADMP COCC[NH+](CCOC)C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000339195281 427725457 /nfs/dbraw/zinc/72/54/57/427725457.db2.gz STDWFPRUERMIQS-GOSISDBHSA-N 2 1 324.509 2.935 20 0 DFADMP C[N@H+]1CCC[C@@H]1CCN1CCO[C@H](CCc2ccccc2)C1 ZINC000186051724 427744027 /nfs/dbraw/zinc/74/40/27/427744027.db2.gz JILSJROMXBBORN-RTBURBONSA-N 2 1 302.462 2.804 20 0 DFADMP C[C@@H](C[NH2+]Cc1ccc(Br)c(F)c1)C[NH+](C)C ZINC000336722049 427750628 /nfs/dbraw/zinc/75/06/28/427750628.db2.gz SRHMDMCMQIQLRC-JTQLQIEISA-N 2 1 303.219 2.876 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@@]3(O)CCC[C@@H]3C)sc2C1 ZINC000339555592 427792117 /nfs/dbraw/zinc/79/21/17/427792117.db2.gz OHLQMNXLMXMKBF-GUYCJALGSA-N 2 1 323.506 2.550 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@@]3(O)CCC[C@@H]3C)sc2C1 ZINC000339555592 427792119 /nfs/dbraw/zinc/79/21/19/427792119.db2.gz OHLQMNXLMXMKBF-GUYCJALGSA-N 2 1 323.506 2.550 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000339682093 427811483 /nfs/dbraw/zinc/81/14/83/427811483.db2.gz OKWHOVGNXRPDRH-YCPHGPKFSA-N 2 1 324.490 2.614 20 0 DFADMP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000339682093 427811484 /nfs/dbraw/zinc/81/14/84/427811484.db2.gz OKWHOVGNXRPDRH-YCPHGPKFSA-N 2 1 324.490 2.614 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnn2C(C)C)[C@H](C)C1 ZINC000337206603 427815044 /nfs/dbraw/zinc/81/50/44/427815044.db2.gz MWGMLPJLUMUYKR-SJLPKXTDSA-N 2 1 322.497 2.691 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2ccnn2C(C)C)[C@H](C)C1 ZINC000337206603 427815047 /nfs/dbraw/zinc/81/50/47/427815047.db2.gz MWGMLPJLUMUYKR-SJLPKXTDSA-N 2 1 322.497 2.691 20 0 DFADMP CC[C@H](C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccccc1)[NH+](CC)CC ZINC000340377579 427833021 /nfs/dbraw/zinc/83/30/21/427833021.db2.gz UMESBHRFFYIYAX-KZNAEPCWSA-N 2 1 317.477 2.668 20 0 DFADMP CC(C)[N@@H+](CCCN1CC[NH+](C(C)C)CC1)Cc1cccnc1 ZINC000337306896 427834969 /nfs/dbraw/zinc/83/49/69/427834969.db2.gz VXXFJDMNXSDKHM-UHFFFAOYSA-N 2 1 318.509 2.708 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355663889 427839452 /nfs/dbraw/zinc/83/94/52/427839452.db2.gz DSUWSLAAKUINGS-OALUTQOASA-N 2 1 302.462 2.540 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355663889 427839455 /nfs/dbraw/zinc/83/94/55/427839455.db2.gz DSUWSLAAKUINGS-OALUTQOASA-N 2 1 302.462 2.540 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@]1(CO)Cc1ccccc1 ZINC000355663889 427839462 /nfs/dbraw/zinc/83/94/62/427839462.db2.gz DSUWSLAAKUINGS-OALUTQOASA-N 2 1 302.462 2.540 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N3CCC[C@@H]([NH+]4CCCC4)C3)C2)cc1 ZINC000355686044 427848142 /nfs/dbraw/zinc/84/81/42/427848142.db2.gz YSMQEZNTXVTMAI-UXHICEINSA-N 2 1 313.489 2.821 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1C[C@@H]2[C@H](C1)OCC[N@H+]2C ZINC000302075795 427849903 /nfs/dbraw/zinc/84/99/03/427849903.db2.gz XVMATNCMLBALHW-MSOLQXFVSA-N 2 1 311.429 2.625 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)[N@@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340464541 427854519 /nfs/dbraw/zinc/85/45/19/427854519.db2.gz FUJLFRHGDJXJIZ-CABCVRRESA-N 2 1 307.486 2.502 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)[N@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340464541 427854524 /nfs/dbraw/zinc/85/45/24/427854524.db2.gz FUJLFRHGDJXJIZ-CABCVRRESA-N 2 1 307.486 2.502 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H](C)C1)C(C)(C)n1cncn1 ZINC000340471091 427856635 /nfs/dbraw/zinc/85/66/35/427856635.db2.gz BQSJXMUZVRWATH-HZPDHXFCSA-N 2 1 307.486 2.503 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])Cc1ccccc1 ZINC000345693812 427861965 /nfs/dbraw/zinc/86/19/65/427861965.db2.gz OZNSGSGUKAXKRE-IEBWSBKVSA-N 2 1 317.477 2.532 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC1 ZINC000345696627 427864414 /nfs/dbraw/zinc/86/44/14/427864414.db2.gz WBSWECDHDYENNX-UHFFFAOYSA-N 2 1 308.466 2.738 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500310 427865855 /nfs/dbraw/zinc/86/58/55/427865855.db2.gz RIAMAXVVJPZEGB-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500310 427865861 /nfs/dbraw/zinc/86/58/61/427865861.db2.gz RIAMAXVVJPZEGB-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP CCC[NH+]1CCC[C@@H]1C(=O)N1CCC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2C)C1 ZINC000340500310 427865864 /nfs/dbraw/zinc/86/58/64/427865864.db2.gz RIAMAXVVJPZEGB-XWTMOSNGSA-N 2 1 321.509 2.725 20 0 DFADMP C[N@@H+](CCCNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+])C1CCCCC1 ZINC000345713859 427872845 /nfs/dbraw/zinc/87/28/45/427872845.db2.gz LHXJLQFTFJULOJ-SJLPKXTDSA-N 2 1 309.498 2.665 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CC2(COC)CCC2)[C@@H](C)C1 ZINC000337377666 427873365 /nfs/dbraw/zinc/87/33/65/427873365.db2.gz BUDKEVFMLFUMPA-DLBZAZTESA-N 2 1 312.498 2.530 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[C@@]1(C)[NH3+] ZINC000345726977 427878600 /nfs/dbraw/zinc/87/86/00/427878600.db2.gz ZEDOKCQDJIEDGR-JFIYKMOQSA-N 2 1 309.498 2.665 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1 ZINC000339958191 427886328 /nfs/dbraw/zinc/88/63/28/427886328.db2.gz XSUKEOVGCGSANZ-MRXNPFEDSA-N 2 1 314.433 2.575 20 0 DFADMP CCOC(=O)[C@@H](CC)N1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000337438937 427906416 /nfs/dbraw/zinc/90/64/16/427906416.db2.gz LDDRVNWHRPLACB-GDBMZVCRSA-N 2 1 319.449 2.741 20 0 DFADMP C[C@H](CC1CCOCC1)C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000349971455 427911073 /nfs/dbraw/zinc/91/10/73/427911073.db2.gz JQFRLEONTAYULE-XGXHKWSGSA-N 2 1 324.509 2.623 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](C[C@H](O)C(F)(F)F)CC1)CC1CC1 ZINC000359570623 427917678 /nfs/dbraw/zinc/91/76/78/427917678.db2.gz IXWRFUTYDZXEIS-HNNXBMFYSA-N 2 1 322.415 2.744 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CCC34CCC4)CC2)nc(C)[nH+]1 ZINC000337466705 427921327 /nfs/dbraw/zinc/92/13/27/427921327.db2.gz MBMVJSYGOMTUOB-MRXNPFEDSA-N 2 1 300.450 2.985 20 0 DFADMP COC(=O)[C@H](C1CC1)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000359589651 427924005 /nfs/dbraw/zinc/92/40/05/427924005.db2.gz HLKLTOGYYOCABT-ZOBUZTSGSA-N 2 1 308.466 2.524 20 0 DFADMP Cc1ccc(-c2ncc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)s2)o1 ZINC000346816663 272689291 /nfs/dbraw/zinc/68/92/91/272689291.db2.gz DYEYKCGLTMEMAS-YUTCNCBUSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1ccc(-c2ncc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@@H]4C3)s2)o1 ZINC000346816663 272689293 /nfs/dbraw/zinc/68/92/93/272689293.db2.gz DYEYKCGLTMEMAS-YUTCNCBUSA-N 2 1 303.431 2.881 20 0 DFADMP Cc1nn(C)c(C)c1CN[C@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340216835 427956732 /nfs/dbraw/zinc/95/67/32/427956732.db2.gz FEZVJQXTKADEAE-HKUYNNGSSA-N 2 1 312.461 2.962 20 0 DFADMP CC[N@@H+](CCN[C@@H]1CC[NH+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223304 427959116 /nfs/dbraw/zinc/95/91/16/427959116.db2.gz QLNDKMYAUNTWAY-IEBWSBKVSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223304 427959121 /nfs/dbraw/zinc/95/91/21/427959121.db2.gz QLNDKMYAUNTWAY-IEBWSBKVSA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+](CCN[C@@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1)C1CC1 ZINC000340223304 427959126 /nfs/dbraw/zinc/95/91/26/427959126.db2.gz QLNDKMYAUNTWAY-IEBWSBKVSA-N 2 1 301.478 2.896 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000359666062 427964545 /nfs/dbraw/zinc/96/45/45/427964545.db2.gz VJTMXVBTXUXCLE-KBXCAEBGSA-N 2 1 315.461 2.855 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCC2)c1 ZINC000359666062 427964546 /nfs/dbraw/zinc/96/45/46/427964546.db2.gz VJTMXVBTXUXCLE-KBXCAEBGSA-N 2 1 315.461 2.855 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H](C)[C@]3(C)CCCO3)CC2)[nH+]1 ZINC000340244104 427965236 /nfs/dbraw/zinc/96/52/36/427965236.db2.gz DGZLPFPRHXAQPY-QAPCUYQASA-N 2 1 303.450 2.906 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H](C)[C@@]3(C)CCCO3)CC2)[nH+]1 ZINC000340244102 427965418 /nfs/dbraw/zinc/96/54/18/427965418.db2.gz DGZLPFPRHXAQPY-CRAIPNDOSA-N 2 1 303.450 2.906 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCSCCCO)C[C@H]1c1ccccc1 ZINC000340241218 427966268 /nfs/dbraw/zinc/96/62/68/427966268.db2.gz CFAMIBJAERHUGN-SJORKVTESA-N 2 1 308.491 2.527 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCSCCCO)C[C@H]1c1ccccc1 ZINC000340241218 427966273 /nfs/dbraw/zinc/96/62/73/427966273.db2.gz CFAMIBJAERHUGN-SJORKVTESA-N 2 1 308.491 2.527 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)nc1 ZINC000340310918 427981585 /nfs/dbraw/zinc/98/15/85/427981585.db2.gz BESIJWXBBUIAFP-ROUUACIJSA-N 2 1 310.445 2.753 20 0 DFADMP Cc1cnc(CC[NH2+][C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)nc1 ZINC000340310918 427981591 /nfs/dbraw/zinc/98/15/91/427981591.db2.gz BESIJWXBBUIAFP-ROUUACIJSA-N 2 1 310.445 2.753 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCC23CCC3)CC[N@H+](Cc2ccccc2)C1 ZINC000337487413 427929161 /nfs/dbraw/zinc/92/91/61/427929161.db2.gz TWDUFWQOKSNLAJ-IEBWSBKVSA-N 2 1 300.446 2.546 20 0 DFADMP O[C@@]1(C[NH2+][C@@H]2CCC23CCC3)CC[N@@H+](Cc2ccccc2)C1 ZINC000337487413 427929165 /nfs/dbraw/zinc/92/91/65/427929165.db2.gz TWDUFWQOKSNLAJ-IEBWSBKVSA-N 2 1 300.446 2.546 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620180 427937383 /nfs/dbraw/zinc/93/73/83/427937383.db2.gz PUODEXNYOHJQKR-QFBILLFUSA-N 3 1 301.478 2.712 20 0 DFADMP C[C@H]1CN(C)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000359620180 427937389 /nfs/dbraw/zinc/93/73/89/427937389.db2.gz PUODEXNYOHJQKR-QFBILLFUSA-N 2 1 301.478 2.712 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CCC[N@H+](Cc2ccccc2)[C@@H]1C ZINC000340179376 427944576 /nfs/dbraw/zinc/94/45/76/427944576.db2.gz VVXCJWWQQZJKMF-IEBWSBKVSA-N 2 1 303.494 2.971 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CCC[N@@H+](Cc2ccccc2)[C@@H]1C ZINC000340179376 427944582 /nfs/dbraw/zinc/94/45/82/427944582.db2.gz VVXCJWWQQZJKMF-IEBWSBKVSA-N 2 1 303.494 2.971 20 0 DFADMP C[N@H+]1CC[C@@H](NCCC[NH+]2CCCC2)C[C@@H]1c1ccccc1 ZINC000340183136 427947167 /nfs/dbraw/zinc/94/71/67/427947167.db2.gz VFULALGSNKKQKB-RTBURBONSA-N 2 1 301.478 2.897 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](C)[C@@H](c2ccccc2)C1 ZINC000340180312 427948201 /nfs/dbraw/zinc/94/82/01/427948201.db2.gz HKNXPBOQXHJMFQ-IPMKNSEASA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340180312 427948207 /nfs/dbraw/zinc/94/82/07/427948207.db2.gz HKNXPBOQXHJMFQ-IPMKNSEASA-N 2 1 301.478 2.896 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340180312 427948210 /nfs/dbraw/zinc/94/82/10/427948210.db2.gz HKNXPBOQXHJMFQ-IPMKNSEASA-N 2 1 301.478 2.896 20 0 DFADMP C[N@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914157 427951003 /nfs/dbraw/zinc/95/10/03/427951003.db2.gz LVBQHLAJPDFFTL-HOTGVXAUSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914157 427951008 /nfs/dbraw/zinc/95/10/08/427951008.db2.gz LVBQHLAJPDFFTL-HOTGVXAUSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCCC[C@H]1CC[N@H+]1CCC[C@H](c2nncn2C2CC2)C1 ZINC000340914157 427951012 /nfs/dbraw/zinc/95/10/12/427951012.db2.gz LVBQHLAJPDFFTL-HOTGVXAUSA-N 2 1 317.481 2.667 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CC3CCC4(CC3)OCCO4)C2)CC1 ZINC000369703921 428038711 /nfs/dbraw/zinc/03/87/11/428038711.db2.gz OARWQEGWWQPIOZ-UHFFFAOYSA-N 2 1 322.493 2.728 20 0 DFADMP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)CC(C)C ZINC000346152298 428040729 /nfs/dbraw/zinc/04/07/29/428040729.db2.gz ZYWABFVMAQQOQB-UHFFFAOYSA-N 2 1 302.422 2.680 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+][C@@H]1CCC[C@@H]([C@H]3CCOC3)C1)C2 ZINC000341372570 428051022 /nfs/dbraw/zinc/05/10/22/428051022.db2.gz OEGQDVBTUFYHKP-WCXIOVBPSA-N 2 1 303.450 2.630 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H]([NH2+]Cc1ccc(Oc3cnccn3)cc1)C2 ZINC000369756648 428052840 /nfs/dbraw/zinc/05/28/40/428052840.db2.gz HARHLPGVIPFDQE-OAHLLOKOSA-N 2 1 321.384 2.570 20 0 DFADMP C=Cn1cc(CNC[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000377085228 428054227 /nfs/dbraw/zinc/05/42/27/428054227.db2.gz XNNCOSQMZZDWCB-SJLPKXTDSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)cn1 ZINC000377085228 428054231 /nfs/dbraw/zinc/05/42/31/428054231.db2.gz XNNCOSQMZZDWCB-SJLPKXTDSA-N 2 1 310.445 2.984 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)cn1 ZINC000377085228 428054235 /nfs/dbraw/zinc/05/42/35/428054235.db2.gz XNNCOSQMZZDWCB-SJLPKXTDSA-N 2 1 310.445 2.984 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000359741041 427998302 /nfs/dbraw/zinc/99/83/02/427998302.db2.gz BWNNHURVPWFWGC-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000359741041 427998309 /nfs/dbraw/zinc/99/83/09/427998309.db2.gz BWNNHURVPWFWGC-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000359741041 427998315 /nfs/dbraw/zinc/99/83/15/427998315.db2.gz BWNNHURVPWFWGC-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000359776144 428014904 /nfs/dbraw/zinc/01/49/04/428014904.db2.gz VREFZBPIDDNBDN-INIZCTEOSA-N 2 1 311.514 2.735 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC000359776132 428015003 /nfs/dbraw/zinc/01/50/03/428015003.db2.gz VQADGZMMRFRDSX-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC000359776132 428015006 /nfs/dbraw/zinc/01/50/06/428015006.db2.gz VQADGZMMRFRDSX-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[NH+](CC)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[N@@H+](C)CC ZINC000359776132 428015012 /nfs/dbraw/zinc/01/50/12/428015012.db2.gz VQADGZMMRFRDSX-FUHWJXTLSA-N 2 1 319.493 2.916 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000359778304 428015396 /nfs/dbraw/zinc/01/53/96/428015396.db2.gz NIEGIPSJHUTBTR-HNNXBMFYSA-N 2 1 305.466 2.598 20 0 DFADMP Clc1ccc(CCC[N@H+]2CC[C@@H](CN3CCOCC3)C2)cc1 ZINC000369613152 428016427 /nfs/dbraw/zinc/01/64/27/428016427.db2.gz KJPVCSCIJRLKGZ-QGZVFWFLSA-N 2 1 322.880 2.927 20 0 DFADMP Cc1nn(-c2ccncc2)cc1CN1CCO[C@H]2CCCC[C@@H]21 ZINC000346210564 428071536 /nfs/dbraw/zinc/07/15/36/428071536.db2.gz PFTRWJIPTCYTPH-ROUUACIJSA-N 2 1 312.417 2.719 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H](C)[C@H]1C ZINC000346219938 428077395 /nfs/dbraw/zinc/07/73/95/428077395.db2.gz NLBDBAOYRYYDTB-ZIAGYGMSSA-N 2 1 302.447 2.902 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1NCc1cccnc1OC1CCCC1 ZINC000360036636 428127570 /nfs/dbraw/zinc/12/75/70/428127570.db2.gz HGWGEDMFUNMOFN-WMLDXEAASA-N 2 1 303.450 2.833 20 0 DFADMP COc1cc(C)c([C@H](C)NC[C@H]2C[N@@H+]3CCC[C@@H]3CO2)cc1C ZINC000369913857 428089182 /nfs/dbraw/zinc/08/91/82/428089182.db2.gz SWQVHSNKPMLBAU-BBWFWOEESA-N 2 1 318.461 2.826 20 0 DFADMP COc1cc(C)c([C@H](C)NC[C@H]2C[N@H+]3CCC[C@@H]3CO2)cc1C ZINC000369913857 428089187 /nfs/dbraw/zinc/08/91/87/428089187.db2.gz SWQVHSNKPMLBAU-BBWFWOEESA-N 2 1 318.461 2.826 20 0 DFADMP CCC[NH+]1CCC([NH2+]Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000359962542 428093643 /nfs/dbraw/zinc/09/36/43/428093643.db2.gz FHINDZQNHDWNHJ-UHFFFAOYSA-N 2 1 304.482 2.890 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351582120 428102205 /nfs/dbraw/zinc/10/22/05/428102205.db2.gz PMQOMOJHHMYQBG-GUDVDZBRSA-N 2 1 302.462 2.758 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1c1ccccc1)C1CC1 ZINC000351582120 428102210 /nfs/dbraw/zinc/10/22/10/428102210.db2.gz PMQOMOJHHMYQBG-GUDVDZBRSA-N 2 1 302.462 2.758 20 0 DFADMP CCCCOC(=O)CN1CCC[C@@H](c2[nH+]cc3n2CCCC3)C1 ZINC000370016055 428110207 /nfs/dbraw/zinc/11/02/07/428110207.db2.gz AALPWSWNAXQLPD-OAHLLOKOSA-N 2 1 319.449 2.742 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+]C2CCC3(CCCO3)CC2)CC1 ZINC000370017491 428111738 /nfs/dbraw/zinc/11/17/38/428111738.db2.gz GDVPPCVXOOYCFD-UHFFFAOYSA-N 2 1 324.509 2.957 20 0 DFADMP C[NH+]1[C@@H]2CC[C@H]1CC(NC[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)C2 ZINC000377358320 428113097 /nfs/dbraw/zinc/11/30/97/428113097.db2.gz NCVYLYLYVCSZKI-BGVWBIDGSA-N 2 1 313.489 2.894 20 0 DFADMP C[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[C@@H]1c1ccccc1 ZINC000377358320 428113102 /nfs/dbraw/zinc/11/31/02/428113102.db2.gz NCVYLYLYVCSZKI-BGVWBIDGSA-N 3 1 313.489 2.894 20 0 DFADMP C[NH+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[C@@H]1c1ccccc1 ZINC000377358320 428113106 /nfs/dbraw/zinc/11/31/06/428113106.db2.gz NCVYLYLYVCSZKI-BGVWBIDGSA-N 3 1 313.489 2.894 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCc3[nH+]ccn3C1)CCCO2 ZINC000360013750 428116971 /nfs/dbraw/zinc/11/69/71/428116971.db2.gz HKICBKVLDBSPBK-UKRRQHHQSA-N 2 1 301.365 2.841 20 0 DFADMP CC[C@@H](C(=O)N[C@H](C[N@@H+](C)Cc1ccccc1)C(C)C)[NH+](C)C ZINC000413717075 428117757 /nfs/dbraw/zinc/11/77/57/428117757.db2.gz VLBCSKFDAWYRAB-MSOLQXFVSA-N 2 1 319.493 2.599 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000360018957 428120691 /nfs/dbraw/zinc/12/06/91/428120691.db2.gz QZZRQSIEFWFRJY-SJORKVTESA-N 2 1 317.408 2.574 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027742 428125953 /nfs/dbraw/zinc/12/59/53/428125953.db2.gz OEDUBXUFULEGOL-DOTOQJQBSA-N 2 1 318.461 2.805 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027742 428125956 /nfs/dbraw/zinc/12/59/56/428125956.db2.gz OEDUBXUFULEGOL-DOTOQJQBSA-N 2 1 318.461 2.805 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc3c(c2)OCCO3)C[C@@H]1C ZINC000360027742 428125961 /nfs/dbraw/zinc/12/59/61/428125961.db2.gz OEDUBXUFULEGOL-DOTOQJQBSA-N 2 1 318.461 2.805 20 0 DFADMP Cc1ncccc1O[C@H]1CC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000370110028 428136152 /nfs/dbraw/zinc/13/61/52/428136152.db2.gz DSDDZPYZXGBQTN-KRWDZBQOSA-N 2 1 303.450 2.719 20 0 DFADMP Cc1ncccc1O[C@H]1CC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000370110028 428136161 /nfs/dbraw/zinc/13/61/61/428136161.db2.gz DSDDZPYZXGBQTN-KRWDZBQOSA-N 2 1 303.450 2.719 20 0 DFADMP [NH3+]CC[C@@H]1CCCC[N@H+]1Cc1ccc(Oc2cnccn2)cc1 ZINC000352535181 428137957 /nfs/dbraw/zinc/13/79/57/428137957.db2.gz NRLLVEYVHKWBPL-INIZCTEOSA-N 2 1 312.417 2.972 20 0 DFADMP C[N@@H+](CCN1CC[NH+](CCC2CC2)CC1)Cc1ccccc1 ZINC000360058169 428138517 /nfs/dbraw/zinc/13/85/17/428138517.db2.gz WOIZMSRMSCEHDL-UHFFFAOYSA-N 2 1 301.478 2.536 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCC[C@@]4(CC[NH2+]C4)C3)c2)cn1 ZINC000352540230 428142038 /nfs/dbraw/zinc/14/20/38/428142038.db2.gz IMKQVFVDKOVKMM-INIZCTEOSA-N 2 1 302.447 2.509 20 0 DFADMP c1cc(CCC[N@H+]2CCC[C@@]3(CC[NH2+]C3)C2)cc2c1OCC2 ZINC000352540454 428142593 /nfs/dbraw/zinc/14/25/93/428142593.db2.gz LIEPMXBVGHUGQP-IBGZPJMESA-N 2 1 300.446 2.630 20 0 DFADMP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000346374799 428147316 /nfs/dbraw/zinc/14/73/16/428147316.db2.gz BMJCPZGBDREXHA-GOEBONIOSA-N 2 1 303.450 2.725 20 0 DFADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000377559151 428158005 /nfs/dbraw/zinc/15/80/05/428158005.db2.gz CPIRAXIEBIKVCG-XWSJACJDSA-N 2 1 300.446 2.526 20 0 DFADMP O[C@@H](CC[NH+]1C[C@@H]2C[N@H+]3CCCC[C@H]3[C@H]2C1)c1ccccc1 ZINC000377559151 428158010 /nfs/dbraw/zinc/15/80/10/428158010.db2.gz CPIRAXIEBIKVCG-XWSJACJDSA-N 2 1 300.446 2.526 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC1 ZINC000341686177 428155490 /nfs/dbraw/zinc/15/54/90/428155490.db2.gz BVXSUNHREPOXGK-AWEZNQCLSA-N 2 1 321.852 2.519 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](CC[C@H](O)c3ccccc3)C2)CC1 ZINC000377588017 428166661 /nfs/dbraw/zinc/16/66/61/428166661.db2.gz DJAZXUUSFJYLBO-SFHVURJKSA-N 2 1 302.462 2.918 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413942064 428171800 /nfs/dbraw/zinc/17/18/00/428171800.db2.gz VXHFLZMJARGBCN-BETUJISGSA-N 2 1 307.413 2.699 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)Nc1ccc(C[NH+](C)C)cc1F ZINC000413942064 428171804 /nfs/dbraw/zinc/17/18/04/428171804.db2.gz VXHFLZMJARGBCN-BETUJISGSA-N 2 1 307.413 2.699 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]Cc3ccc(F)cc3)C2)nc(C)[nH+]1 ZINC000377618398 428173712 /nfs/dbraw/zinc/17/37/12/428173712.db2.gz GQVRCSLRLYGMEW-KRWDZBQOSA-N 2 1 314.408 2.991 20 0 DFADMP CC1=CCC[C@H](C)[C@@H]1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377626752 428175954 /nfs/dbraw/zinc/17/59/54/428175954.db2.gz OGTBTFOVVMCUJF-SLFFLAALSA-N 2 1 319.537 2.938 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)c3ccncc3)C2)nc(C)[nH+]1 ZINC000377628984 428177034 /nfs/dbraw/zinc/17/70/34/428177034.db2.gz CKPTZVIKSHXSBX-PBHICJAKSA-N 2 1 311.433 2.808 20 0 DFADMP CC(C)[C@](C)(O)C[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000370304870 428180603 /nfs/dbraw/zinc/18/06/03/428180603.db2.gz CNEWUTFQMHBAKV-CRAIPNDOSA-N 2 1 305.466 2.806 20 0 DFADMP Cc1cc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)[nH]n1 ZINC000360210528 428206780 /nfs/dbraw/zinc/20/67/80/428206780.db2.gz ZHGHWSKSCOSXLE-UHFFFAOYSA-N 2 1 301.438 2.883 20 0 DFADMP Cc1cc(C2CC[NH+](CCCCn3cc[nH+]c3C)CC2)n[nH]1 ZINC000360210528 428206785 /nfs/dbraw/zinc/20/67/85/428206785.db2.gz ZHGHWSKSCOSXLE-UHFFFAOYSA-N 2 1 301.438 2.883 20 0 DFADMP CC[C@@H]1CCCC[N@@H+]1CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414132387 428213622 /nfs/dbraw/zinc/21/36/22/428213622.db2.gz ZEIRAQAENYLHTQ-NVXWUHKLSA-N 2 1 305.466 2.875 20 0 DFADMP CC[C@@H]1CCCC[N@H+]1CC[NH2+][C@H](C)Cc1ccc(OC)nc1 ZINC000414132387 428213625 /nfs/dbraw/zinc/21/36/25/428213625.db2.gz ZEIRAQAENYLHTQ-NVXWUHKLSA-N 2 1 305.466 2.875 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360237173 428216730 /nfs/dbraw/zinc/21/67/30/428216730.db2.gz GLNMVJYJSQWJAE-FHLIZLRMSA-N 2 1 308.441 2.846 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000360237173 428216736 /nfs/dbraw/zinc/21/67/36/428216736.db2.gz GLNMVJYJSQWJAE-FHLIZLRMSA-N 2 1 308.441 2.846 20 0 DFADMP Cc1ccc(O)c(C[NH2+]C[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000377758244 428218669 /nfs/dbraw/zinc/21/86/69/428218669.db2.gz BYOHNZNJLSIGQU-LPHOPBHVSA-N 2 1 311.429 2.878 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]CCCc2ccncc2)[C@H](C)C1 ZINC000346570904 428223093 /nfs/dbraw/zinc/22/30/93/428223093.db2.gz QAMOMHHTUDFMEK-IEBWSBKVSA-N 2 1 319.493 2.741 20 0 DFADMP C[C@@H]([NH2+]CC[C@@H]1CCC[N@@H+](C)C1)c1ccc(-n2cncn2)cc1 ZINC000414187581 428229603 /nfs/dbraw/zinc/22/96/03/428229603.db2.gz QBITYAPASNRWBP-CVEARBPZSA-N 2 1 313.449 2.650 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)C1 ZINC000414203564 428232707 /nfs/dbraw/zinc/23/27/07/428232707.db2.gz ZMAHWBZBQSELPU-CJNGLKHVSA-N 2 1 319.424 2.921 20 0 DFADMP CCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cn1 ZINC000352758165 428234655 /nfs/dbraw/zinc/23/46/55/428234655.db2.gz GRTAPSJFCXWBIH-RBUKOAKNSA-N 2 1 317.477 2.502 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000370335087 428186759 /nfs/dbraw/zinc/18/67/59/428186759.db2.gz QPGUWVANHGHEML-UKRRQHHQSA-N 2 1 305.397 2.673 20 0 DFADMP CC(C)[C@H](C(=O)N1CCC[C@@H]1[C@H]1CCC[N@H+]1C)[NH+]1CCCCC1 ZINC000377662073 428187299 /nfs/dbraw/zinc/18/72/99/428187299.db2.gz LVFPJNBWKOZATK-KZNAEPCWSA-N 2 1 321.509 2.582 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CCC[NH+]2CCC(O)CC2)c(C)c1 ZINC000414063274 428192440 /nfs/dbraw/zinc/19/24/40/428192440.db2.gz DNORYPPQNIIFNN-HNNXBMFYSA-N 2 1 306.450 2.501 20 0 DFADMP CC(=O)Nc1cccc(C[N@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377686633 428195938 /nfs/dbraw/zinc/19/59/38/428195938.db2.gz NGCZOOFDDUYUKM-MRXNPFEDSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1cccc(C[N@@H+](C)C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000377686633 428195939 /nfs/dbraw/zinc/19/59/39/428195939.db2.gz NGCZOOFDDUYUKM-MRXNPFEDSA-N 2 1 312.417 2.536 20 0 DFADMP C[N@@H+](Cc1cccc2nccn21)C1CCN(c2cc[nH+]cc2)CC1 ZINC000377694779 428198080 /nfs/dbraw/zinc/19/80/80/428198080.db2.gz HWWROCHCXLGUIQ-UHFFFAOYSA-N 2 1 321.428 2.830 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000346663619 428263078 /nfs/dbraw/zinc/26/30/78/428263078.db2.gz BZAPDFAULDJQDK-PWSUYJOCSA-N 2 1 320.330 2.936 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000346663619 428263083 /nfs/dbraw/zinc/26/30/83/428263083.db2.gz BZAPDFAULDJQDK-PWSUYJOCSA-N 2 1 320.330 2.936 20 0 DFADMP CC[NH+](CC)[C@H](CNc1cc(C)[nH+]c(C)n1)Cc1ccccc1 ZINC000356659431 428264062 /nfs/dbraw/zinc/26/40/62/428264062.db2.gz WIWQEBUKSXLVEK-SFHVURJKSA-N 2 1 312.461 2.880 20 0 DFADMP CC(C)[C@@H]([NH3+])CCN(C)Cc1nc2c(s1)C[N@H+](C(C)C)CC2 ZINC000346669471 428265006 /nfs/dbraw/zinc/26/50/06/428265006.db2.gz GKLALVRENRJBGU-AWEZNQCLSA-N 2 1 324.538 2.715 20 0 DFADMP CC[N@H+]1CC[C@@H](NC2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000414351942 428267549 /nfs/dbraw/zinc/26/75/49/428267549.db2.gz WHMVMHRYJBRSKE-LJQANCHMSA-N 2 1 319.468 2.516 20 0 DFADMP CC1=C[C@H](C)C[C@H](C[NH2+]CC2CCN(CC[NH+](C)C)CC2)C1 ZINC000352830385 428268615 /nfs/dbraw/zinc/26/86/15/428268615.db2.gz AHDNSZIETLRSMR-LPHOPBHVSA-N 2 1 307.526 2.842 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC[N@H+]1C ZINC000370679582 428272141 /nfs/dbraw/zinc/27/21/41/428272141.db2.gz UJOVAEMLZLABQY-KFWWJZLASA-N 2 1 323.431 2.863 20 0 DFADMP C[C@H]1C[C@H](C[NH3+])C[N@H+]1Cc1cnn(-c2ccc(Cl)cc2)c1 ZINC000346693729 428277901 /nfs/dbraw/zinc/27/79/01/428277901.db2.gz PFAIVMRYZCGNGE-QWHCGFSZSA-N 2 1 304.825 2.695 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[N@@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000352851963 428278250 /nfs/dbraw/zinc/27/82/50/428278250.db2.gz JEVKJYRKBDJDRI-JQHSSLGASA-N 2 1 321.509 2.511 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[NH2+]CCC[N@H+]2CCC[C@H]2C(=O)N(C)C)C1 ZINC000352851963 428278258 /nfs/dbraw/zinc/27/82/58/428278258.db2.gz JEVKJYRKBDJDRI-JQHSSLGASA-N 2 1 321.509 2.511 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370709061 428281600 /nfs/dbraw/zinc/28/16/00/428281600.db2.gz IMGHEMABMJDVMB-QFBILLFUSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000370709061 428281606 /nfs/dbraw/zinc/28/16/06/428281606.db2.gz IMGHEMABMJDVMB-QFBILLFUSA-N 2 1 319.468 2.592 20 0 DFADMP OC[C@@H]1CCC[N@H+]1C[C@@H]1CCCN1c1cc[nH+]c2ccccc21 ZINC000370723186 428283023 /nfs/dbraw/zinc/28/30/23/428283023.db2.gz SOYVSQARKFCKMP-HOTGVXAUSA-N 2 1 311.429 2.660 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C/C=C\c2ccc(F)c(F)c2)CC1(C)C ZINC000352873626 428288893 /nfs/dbraw/zinc/28/88/93/428288893.db2.gz YBCUNDDPEGHCOX-PLNGDYQASA-N 2 1 323.431 2.594 20 0 DFADMP Cc1occc1C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO ZINC000414427067 428292590 /nfs/dbraw/zinc/29/25/90/428292590.db2.gz IQWUOXZUBDIDEO-LJQANCHMSA-N 2 1 314.429 2.835 20 0 DFADMP CC[N@H+](Cc1cc(C)n(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000414433789 428294778 /nfs/dbraw/zinc/29/47/78/428294778.db2.gz BZHRPCKEFSOYSY-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP CC[N@@H+](Cc1cc(C)n(C)n1)Cc1ccc(C[NH+](C)C)cc1 ZINC000414433789 428294781 /nfs/dbraw/zinc/29/47/81/428294781.db2.gz BZHRPCKEFSOYSY-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP Cc1ccc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)nn1 ZINC000414431076 428294804 /nfs/dbraw/zinc/29/48/04/428294804.db2.gz KQMRXMUHZBMZRS-UHFFFAOYSA-N 2 1 311.433 2.528 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356589989 428242512 /nfs/dbraw/zinc/24/25/12/428242512.db2.gz BBQZEXVZHLVEHR-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000356589989 428242518 /nfs/dbraw/zinc/24/25/18/428242518.db2.gz BBQZEXVZHLVEHR-DOTOQJQBSA-N 2 1 305.466 2.526 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000414266754 428244021 /nfs/dbraw/zinc/24/40/21/428244021.db2.gz MKOIUXIQFXGYNP-KZNAEPCWSA-N 2 1 320.502 2.619 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+][C@@H]1CCSC1 ZINC000414266754 428244029 /nfs/dbraw/zinc/24/40/29/428244029.db2.gz MKOIUXIQFXGYNP-KZNAEPCWSA-N 2 1 320.502 2.619 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)[C@@H](C)C1 ZINC000414261498 428246161 /nfs/dbraw/zinc/24/61/61/428246161.db2.gz GZBQNWKTTPWNTJ-ATIWLJMLSA-N 2 1 312.498 2.527 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+]C[C@H]2[C@@H]3c4ccccc4C[C@H]23)s1 ZINC000352781453 428246158 /nfs/dbraw/zinc/24/61/58/428246158.db2.gz ZGBWJDIXTKGOCN-JFIYKMOQSA-N 2 1 313.470 2.880 20 0 DFADMP CCOC[C@@H](C)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414273934 428247884 /nfs/dbraw/zinc/24/78/84/428247884.db2.gz UEWGGKWANVXGLD-BHIYHBOVSA-N 2 1 320.477 2.538 20 0 DFADMP CCOC[C@@H](C)[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1OCC ZINC000414273934 428247889 /nfs/dbraw/zinc/24/78/89/428247889.db2.gz UEWGGKWANVXGLD-BHIYHBOVSA-N 2 1 320.477 2.538 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CCN(CC(C)(C)C[N@@H+](C)Cc2ccccc2)C1 ZINC000346631832 428249518 /nfs/dbraw/zinc/24/95/18/428249518.db2.gz COOBTBUGLNGVNG-SJLPKXTDSA-N 2 1 303.494 2.814 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCCO2)CC[C@H]1[NH2+]CCc1ccc(F)cc1 ZINC000370608336 428252751 /nfs/dbraw/zinc/25/27/51/428252751.db2.gz KEMGSCOZRQSXQI-ATZDWAIDSA-N 2 1 320.452 2.847 20 0 DFADMP COc1cccc(C[N@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1F ZINC000377886282 428256855 /nfs/dbraw/zinc/25/68/55/428256855.db2.gz ZZCDKSMFDPVHPZ-OAHLLOKOSA-N 2 1 306.425 2.998 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633946 428259407 /nfs/dbraw/zinc/25/94/07/428259407.db2.gz JKKPHZHHPVLDCC-YLJYHZDGSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633946 428259411 /nfs/dbraw/zinc/25/94/11/428259411.db2.gz JKKPHZHHPVLDCC-YLJYHZDGSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cc(F)c(F)c(F)c1 ZINC000356791510 428309541 /nfs/dbraw/zinc/30/95/41/428309541.db2.gz SZSHOISRFBBFOT-HFAKWTLXSA-N 2 1 300.368 2.965 20 0 DFADMP [NH3+]CCN(c1ccc2ccccc2n1)[C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000414485308 428314000 /nfs/dbraw/zinc/31/40/00/428314000.db2.gz HWXZEAKLLWVYOU-IAGOWNOFSA-N 2 1 310.445 2.627 20 0 DFADMP Cc1csc(N2CCCN(CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000378125368 428314395 /nfs/dbraw/zinc/31/43/95/428314395.db2.gz IBZMAVBEYFEBFZ-MRXNPFEDSA-N 2 1 322.522 2.838 20 0 DFADMP Cc1csc(N2CCC[N@@H+](CC[C@H]3CCCC[NH+]3C)CC2)n1 ZINC000378125368 428314409 /nfs/dbraw/zinc/31/44/09/428314409.db2.gz IBZMAVBEYFEBFZ-MRXNPFEDSA-N 2 1 322.522 2.838 20 0 DFADMP Cc1csc(N2CCC[N@H+](CC[C@H]3CCCC[NH+]3C)CC2)n1 ZINC000378125368 428314411 /nfs/dbraw/zinc/31/44/11/428314411.db2.gz IBZMAVBEYFEBFZ-MRXNPFEDSA-N 2 1 322.522 2.838 20 0 DFADMP [NH3+]C1(C[NH2+]Cc2ccc(C(=O)Nc3ccccc3)cc2)CCC1 ZINC000342131455 428315770 /nfs/dbraw/zinc/31/57/70/428315770.db2.gz HVPMBUGYMBQAJG-UHFFFAOYSA-N 2 1 309.413 2.910 20 0 DFADMP COc1ccc(CCC[NH2+][C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000360485165 428317083 /nfs/dbraw/zinc/31/70/83/428317083.db2.gz STIASULHHRFELC-GOEBONIOSA-N 2 1 306.450 2.566 20 0 DFADMP COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)C1 ZINC000378165472 428324059 /nfs/dbraw/zinc/32/40/59/428324059.db2.gz GCJGNWWZNUVOFD-ZACQAIPSSA-N 2 1 317.477 2.736 20 0 DFADMP COc1ccccc1N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)C1 ZINC000378165472 428324065 /nfs/dbraw/zinc/32/40/65/428324065.db2.gz GCJGNWWZNUVOFD-ZACQAIPSSA-N 2 1 317.477 2.736 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCCOCCOCc1ccccc1 ZINC000356825800 428324452 /nfs/dbraw/zinc/32/44/52/428324452.db2.gz ATUZLVPSCQQVGO-MJGOQNOKSA-N 2 1 320.477 2.540 20 0 DFADMP COc1ccc(OC)c([C@@H]2CCC[N@H+]2C[C@@H]2CCC[NH2+]C2)c1 ZINC000346818226 428329197 /nfs/dbraw/zinc/32/91/97/428329197.db2.gz GYSVIWVBUWGOQA-PBHICJAKSA-N 2 1 304.434 2.840 20 0 DFADMP [NH3+][C@@H]1CC[C@H]2C[N@@H+](Cc3c(F)cccc3N3CCCC3)C[C@H]12 ZINC000346826738 428335108 /nfs/dbraw/zinc/33/51/08/428335108.db2.gz MMPUXPOGZYPBQJ-GRDNDAEWSA-N 2 1 303.425 2.595 20 0 DFADMP COc1ccccc1C[N@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000346833619 428336383 /nfs/dbraw/zinc/33/63/83/428336383.db2.gz SAHCPENPODEWDC-WMZOPIPTSA-N 2 1 318.461 2.676 20 0 DFADMP COc1ccccc1C[N@@H+](C[C@@H]1CCCO1)C[C@H]1CCC[NH2+]C1 ZINC000346833619 428336388 /nfs/dbraw/zinc/33/63/88/428336388.db2.gz SAHCPENPODEWDC-WMZOPIPTSA-N 2 1 318.461 2.676 20 0 DFADMP C[C@H]1C[C@@H](CNC(=[NH2+])Nc2ccccn2)C[N@H+]1Cc1ccccc1 ZINC000371017803 428341822 /nfs/dbraw/zinc/34/18/22/428341822.db2.gz UEZYUSHAJOLCKG-RDJZCZTQSA-N 2 1 323.444 2.928 20 0 DFADMP CCOc1c(Cl)cc(C[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346852281 428345382 /nfs/dbraw/zinc/34/53/82/428345382.db2.gz KNARLSOVASGQML-YDHLFZDLSA-N 2 1 324.852 2.916 20 0 DFADMP CCOc1c(Cl)cc(C[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)cc1OC ZINC000346852281 428345386 /nfs/dbraw/zinc/34/53/86/428345386.db2.gz KNARLSOVASGQML-YDHLFZDLSA-N 2 1 324.852 2.916 20 0 DFADMP CC[C@H](C(=O)Nc1cccc(CC[N@@H+](C)C2CC2)c1)[NH+](C)C ZINC000342206230 428348568 /nfs/dbraw/zinc/34/85/68/428348568.db2.gz ADHDZYGJTZVJJP-QGZVFWFLSA-N 2 1 303.450 2.602 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCCCOCCc1ccccc1 ZINC000360440392 428299171 /nfs/dbraw/zinc/29/91/71/428299171.db2.gz BEIFIAOQHFEYFQ-PKOBYXMFSA-N 2 1 304.478 2.956 20 0 DFADMP CCc1ncc(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000414447896 428300909 /nfs/dbraw/zinc/30/09/09/428300909.db2.gz YPASNCLVVGTKDQ-MAUKXSAKSA-N 2 1 310.445 2.792 20 0 DFADMP CCc1ncc(CN[C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]2C)cn1 ZINC000414447896 428300912 /nfs/dbraw/zinc/30/09/12/428300912.db2.gz YPASNCLVVGTKDQ-MAUKXSAKSA-N 2 1 310.445 2.792 20 0 DFADMP COC(=O)[C@]12C[N@@H+](CCC[NH+]3CCCCC3)C[C@H]1CCCC2 ZINC000342110124 428303708 /nfs/dbraw/zinc/30/37/08/428303708.db2.gz CVQKWGUBBJCHQY-SJLPKXTDSA-N 2 1 308.466 2.528 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000346972411 428388819 /nfs/dbraw/zinc/38/88/19/428388819.db2.gz HHDRBDQQIANXLI-QGZVFWFLSA-N 3 1 307.526 2.963 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@@H]2c2cccnc2)CC1 ZINC000346970241 428389383 /nfs/dbraw/zinc/38/93/83/428389383.db2.gz GFDQQECAKACOJW-LJQANCHMSA-N 2 1 316.493 2.635 20 0 DFADMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414736877 428390849 /nfs/dbraw/zinc/39/08/49/428390849.db2.gz GUIYRSKPEYKKQN-HOTGVXAUSA-N 2 1 324.538 2.579 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000414737281 428390933 /nfs/dbraw/zinc/39/09/33/428390933.db2.gz NMJILZCPYNRUIH-HNNXBMFYSA-N 2 1 316.424 2.881 20 0 DFADMP Cc1ncsc1C[N@H+](C)C[C@@H]1CCN(C[C@H]([NH3+])CC(C)C)C1 ZINC000414736880 428391166 /nfs/dbraw/zinc/39/11/66/428391166.db2.gz GUIYRSKPEYKKQN-JKSUJKDBSA-N 2 1 324.538 2.579 20 0 DFADMP CC[C@@H](c1ccccc1)[N@H+](CC(=O)OC)CC1CC[NH2+]CC1 ZINC000346975522 428391783 /nfs/dbraw/zinc/39/17/83/428391783.db2.gz JGQGJNIZEIJWHS-KRWDZBQOSA-N 2 1 304.434 2.612 20 0 DFADMP COC(=O)CCC[N@H+](Cc1ccccc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414751335 428392219 /nfs/dbraw/zinc/39/22/19/428392219.db2.gz INMTYYYXZNMPIB-WMZOPIPTSA-N 2 1 318.461 2.830 20 0 DFADMP CCOC(=O)[C@@H]1C[N@@H+](C[C@H]2CC[NH2+][C@@H](C)C2)Cc2ccccc21 ZINC000414748305 428393389 /nfs/dbraw/zinc/39/33/89/428393389.db2.gz NXOHZULDJUVMNC-RLFYNMQTSA-N 2 1 316.445 2.537 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000346983820 428394350 /nfs/dbraw/zinc/39/43/50/428394350.db2.gz NSZVNWTZPNOWDB-IEBWSBKVSA-N 3 1 307.526 2.963 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C2CC2)C1 ZINC000357117102 428397265 /nfs/dbraw/zinc/39/72/65/428397265.db2.gz CFIKJTSKQHNDRY-INMHGKMJSA-N 2 1 321.509 2.628 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(SC)cc1OC ZINC000346992255 428397537 /nfs/dbraw/zinc/39/75/37/428397537.db2.gz ANUKAOCDUCOTQJ-WCQYABFASA-N 2 1 310.463 2.595 20 0 DFADMP COc1cc(C[N@H+]2CC[C@@H]([NH3+])[C@@H](C)C2)c(SC)cc1OC ZINC000346992255 428397541 /nfs/dbraw/zinc/39/75/41/428397541.db2.gz ANUKAOCDUCOTQJ-WCQYABFASA-N 2 1 310.463 2.595 20 0 DFADMP c1cn2c(C[N@@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)c(C3CC3)nc2s1 ZINC000414766914 428398316 /nfs/dbraw/zinc/39/83/16/428398316.db2.gz ITAGYZZQTBPNEE-OKILXGFUSA-N 2 1 316.474 2.705 20 0 DFADMP C[N@@H+](Cc1ccc(-n2cnc3ccccc32)cc1)C1CC([NH3+])C1 ZINC000414768499 428399225 /nfs/dbraw/zinc/39/92/25/428399225.db2.gz IGYSYVHFOHNDLO-UHFFFAOYSA-N 2 1 306.413 2.947 20 0 DFADMP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000346995304 428399655 /nfs/dbraw/zinc/39/96/55/428399655.db2.gz BFBFFSCPFKXPTE-XHDPSFHLSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)CC[C@H]1[NH3+] ZINC000346995304 428399658 /nfs/dbraw/zinc/39/96/58/428399658.db2.gz BFBFFSCPFKXPTE-XHDPSFHLSA-N 2 1 304.825 2.899 20 0 DFADMP C[C@@H]1C[N@@H+](CCCC2CCCC2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000360689028 428400207 /nfs/dbraw/zinc/40/02/07/428400207.db2.gz DPNYVZXGKGNOBR-IEBWSBKVSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H](C[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2)c1ccc(F)cc1 ZINC000414774065 428400475 /nfs/dbraw/zinc/40/04/75/428400475.db2.gz FDPLXHZQGAUMCE-ZBFHGGJFSA-N 2 1 306.425 2.617 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCc2ccccc2F)C1 ZINC000346995502 428400720 /nfs/dbraw/zinc/40/07/20/428400720.db2.gz WNRJXUXIWFEONT-QGZVFWFLSA-N 2 1 308.441 2.801 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000414775092 428400873 /nfs/dbraw/zinc/40/08/73/428400873.db2.gz ZHDXQRWISHVONV-OKILXGFUSA-N 2 1 322.836 2.558 20 0 DFADMP c1nc([C@@H]2CCCO2)sc1C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000414773078 428401329 /nfs/dbraw/zinc/40/13/29/428401329.db2.gz CTYDDMYRJAPCLL-LZWOXQAQSA-N 2 1 321.490 2.816 20 0 DFADMP CCN(CCC[NH+](CC)CC)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000357131160 428401861 /nfs/dbraw/zinc/40/18/61/428401861.db2.gz YGPHKPDDSSJTLE-GOSISDBHSA-N 2 1 319.493 2.870 20 0 DFADMP c1cn(Cc2ccccc2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414775792 428403738 /nfs/dbraw/zinc/40/37/38/428403738.db2.gz GWJKOQWGAAHAFH-OALUTQOASA-N 2 1 324.472 2.753 20 0 DFADMP [NH3+]C[C@@H]1C[N@H+](Cc2ccsc2Cl)CC12CCOCC2 ZINC000414778992 428403966 /nfs/dbraw/zinc/40/39/66/428403966.db2.gz JYWJGCPUWGNTIR-GFCCVEGCSA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccsc2Cl)CC12CCOCC2 ZINC000414778992 428403973 /nfs/dbraw/zinc/40/39/73/428403973.db2.gz JYWJGCPUWGNTIR-GFCCVEGCSA-N 2 1 300.855 2.589 20 0 DFADMP CCC[N@H+](Cc1cccc2c1OCCCO2)C1CC[NH2+]CC1 ZINC000347005865 428405082 /nfs/dbraw/zinc/40/50/82/428405082.db2.gz CANBPTFFHVVIDH-UHFFFAOYSA-N 2 1 304.434 2.812 20 0 DFADMP CCC[N@@H+](Cc1cccc2c1OCCCO2)C1CC[NH2+]CC1 ZINC000347005865 428405086 /nfs/dbraw/zinc/40/50/86/428405086.db2.gz CANBPTFFHVVIDH-UHFFFAOYSA-N 2 1 304.434 2.812 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000414784982 428407349 /nfs/dbraw/zinc/40/73/49/428407349.db2.gz RXODUMZWEZBCJW-ROUUACIJSA-N 2 1 318.461 2.533 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H]([C@@H]3CC[NH2+]C3)C2)cc1OC ZINC000414785037 428407569 /nfs/dbraw/zinc/40/75/69/428407569.db2.gz SBDRMZWHEKTVEM-HZPDHXFCSA-N 2 1 304.434 2.525 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n(-c2ccccc2)n1 ZINC000414783144 428408106 /nfs/dbraw/zinc/40/81/06/428408106.db2.gz PKCWOJIVEWNVJM-IRXDYDNUSA-N 2 1 310.445 2.694 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](Cc2ccc(C(F)F)cc2)CC12CCOCC2 ZINC000414788889 428408898 /nfs/dbraw/zinc/40/88/98/428408898.db2.gz XLRWSTIRDPGGDQ-OAHLLOKOSA-N 2 1 310.388 2.812 20 0 DFADMP [NH3+]C[C@H]1C[N@H+](Cc2ccc(Cl)s2)CC12CCOCC2 ZINC000414789795 428409082 /nfs/dbraw/zinc/40/90/82/428409082.db2.gz OQNVSEFZRKKNKS-NSHDSACASA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@H]1C[N@@H+](Cc2ccc(Cl)s2)CC12CCOCC2 ZINC000414789795 428409089 /nfs/dbraw/zinc/40/90/89/428409089.db2.gz OQNVSEFZRKKNKS-NSHDSACASA-N 2 1 300.855 2.589 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCCCOc2ccccc2)CC12CCOCC2 ZINC000414789680 428409684 /nfs/dbraw/zinc/40/96/84/428409684.db2.gz YLDQRYHQUJNNSZ-QGZVFWFLSA-N 2 1 318.461 2.533 20 0 DFADMP CCCCOc1ccc(C[N@@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347025418 428411084 /nfs/dbraw/zinc/41/10/84/428411084.db2.gz SBNPKNYCQZXWNL-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP CCCCOc1ccc(C[N@H+]2CC[C@H](C[NH2+]C)C2)cc1OC ZINC000347025418 428411090 /nfs/dbraw/zinc/41/10/90/428411090.db2.gz SBNPKNYCQZXWNL-MRXNPFEDSA-N 2 1 306.450 2.915 20 0 DFADMP c1nc(-c2ccccc2)[nH]c1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789270 428411409 /nfs/dbraw/zinc/41/14/09/428411409.db2.gz YHKNACVJYJHUHW-IRXDYDNUSA-N 2 1 310.445 2.898 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789270 428411415 /nfs/dbraw/zinc/41/14/15/428411415.db2.gz YHKNACVJYJHUHW-IRXDYDNUSA-N 2 1 310.445 2.898 20 0 DFADMP c1[nH]c(-c2ccccc2)nc1C[N@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000414789270 428411419 /nfs/dbraw/zinc/41/14/19/428411419.db2.gz YHKNACVJYJHUHW-IRXDYDNUSA-N 2 1 310.445 2.898 20 0 DFADMP CC(C)Cc1ncc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)s1 ZINC000414787822 428411481 /nfs/dbraw/zinc/41/14/81/428411481.db2.gz WCFMMLZTLHUMDW-AWEZNQCLSA-N 2 1 323.506 2.529 20 0 DFADMP CC(C)[N@H+](C)CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360610674 428368243 /nfs/dbraw/zinc/36/82/43/428368243.db2.gz DPLKCCNNSJZWEG-OAHLLOKOSA-N 2 1 307.413 2.919 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@@H]1CCC(=O)Nc2ccc(F)cc21 ZINC000360610674 428368251 /nfs/dbraw/zinc/36/82/51/428368251.db2.gz DPLKCCNNSJZWEG-OAHLLOKOSA-N 2 1 307.413 2.919 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360615425 428368296 /nfs/dbraw/zinc/36/82/96/428368296.db2.gz RJDCZFVTSBWFPF-QLFBSQMISA-N 2 1 300.450 2.956 20 0 DFADMP C[C@H](CCc1n[nH]c2ccccc21)[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000360615425 428368302 /nfs/dbraw/zinc/36/83/02/428368302.db2.gz RJDCZFVTSBWFPF-QLFBSQMISA-N 2 1 300.450 2.956 20 0 DFADMP C[C@H](c1cccc(Cl)c1)[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414670247 428370296 /nfs/dbraw/zinc/37/02/96/428370296.db2.gz CSROAWDXTGIETD-KGLIPLIRSA-N 2 1 323.868 2.530 20 0 DFADMP COC(=O)[C@H](C)C[N@H+](Cc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414676049 428372572 /nfs/dbraw/zinc/37/25/72/428372572.db2.gz MTPNIUIEMABPTO-SOLBZPMBSA-N 2 1 318.461 2.686 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H]2c2ccc3c(c2)OCCO3)CC[NH2+]1 ZINC000414681369 428373843 /nfs/dbraw/zinc/37/38/43/428373843.db2.gz OXUTZSDTNSCNNR-HLLBOEOZSA-N 2 1 316.445 2.983 20 0 DFADMP Brc1cncc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1 ZINC000357050456 428374472 /nfs/dbraw/zinc/37/44/72/428374472.db2.gz MMYRVVGYRQOEBH-AWEZNQCLSA-N 2 1 324.266 2.666 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+](CCCO)[C@H]2CCc3ccccc32)CC[NH2+]1 ZINC000414688017 428374686 /nfs/dbraw/zinc/37/46/86/428374686.db2.gz CYCXRZQNPFGDKJ-MDZRGWNJSA-N 2 1 302.462 2.746 20 0 DFADMP COCC[N@@H+](CCCc1ccccc1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414685620 428376097 /nfs/dbraw/zinc/37/60/97/428376097.db2.gz CZPQBJBZGMKMAC-PKOBYXMFSA-N 2 1 304.478 2.956 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[NH+]2CC[C@@H]2CCC[N@@H+]2C)n1 ZINC000371205844 428378968 /nfs/dbraw/zinc/37/89/68/428378968.db2.gz VMJJALJREMXLAV-ROUUACIJSA-N 2 1 304.482 2.839 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000371205844 428378971 /nfs/dbraw/zinc/37/89/71/428378971.db2.gz VMJJALJREMXLAV-ROUUACIJSA-N 2 1 304.482 2.839 20 0 DFADMP Cc1cc(C)n(C[C@@H]2CCCC[N@@H+]2CC[C@@H]2CCC[NH+]2C)n1 ZINC000371205844 428378975 /nfs/dbraw/zinc/37/89/75/428378975.db2.gz VMJJALJREMXLAV-ROUUACIJSA-N 2 1 304.482 2.839 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCSCc2ccccc2)CC12CCOCC2 ZINC000414790484 428413626 /nfs/dbraw/zinc/41/36/26/428413626.db2.gz ZXEVQIMCCXHNCX-QGZVFWFLSA-N 2 1 320.502 2.607 20 0 DFADMP CCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357070732 428380064 /nfs/dbraw/zinc/38/00/64/428380064.db2.gz APUTUWBAEYKRLR-MRXNPFEDSA-N 2 1 323.525 2.735 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cccc2[nH]ccc21 ZINC000378367795 428381351 /nfs/dbraw/zinc/38/13/51/428381351.db2.gz DYGBPWZUQLKWBT-ATZDWAIDSA-N 2 1 313.445 2.851 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCO[C@H](CCc3ccccc3)C2)CC[NH2+]1 ZINC000414702400 428381386 /nfs/dbraw/zinc/38/13/86/428381386.db2.gz BJIVGDKPAZXEDY-NZSAHSFTSA-N 2 1 302.462 2.708 20 0 DFADMP COc1cc2c(cc1OC)CC[NH+](CC[C@H]1CCC[N@H+]1C)CC2 ZINC000371325282 428381511 /nfs/dbraw/zinc/38/15/11/428381511.db2.gz DJLQQUFUGIHWNM-QGZVFWFLSA-N 2 1 318.461 2.589 20 0 DFADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000357088390 428382186 /nfs/dbraw/zinc/38/21/86/428382186.db2.gz SKSUATVGJIAALA-OAHLLOKOSA-N 2 1 310.482 2.772 20 0 DFADMP CCOC(=O)[C@@H](C)[NH+]1CCC(CC[N@@H+](CC)CC2CC2)CC1 ZINC000357088390 428382192 /nfs/dbraw/zinc/38/21/92/428382192.db2.gz SKSUATVGJIAALA-OAHLLOKOSA-N 2 1 310.482 2.772 20 0 DFADMP CCS[C@H](C)c1noc(C[N@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414714908 428382523 /nfs/dbraw/zinc/38/25/23/428382523.db2.gz WCLCBDNBCAERLL-YNEHKIRRSA-N 2 1 312.483 2.704 20 0 DFADMP CCS[C@H](C)c1noc(C[N@@H+](C)C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414714908 428382529 /nfs/dbraw/zinc/38/25/29/428382529.db2.gz WCLCBDNBCAERLL-YNEHKIRRSA-N 2 1 312.483 2.704 20 0 DFADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357085124 428382870 /nfs/dbraw/zinc/38/28/70/428382870.db2.gz QKNOKUYLJHWVDO-DZGCQCFKSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1cc2cccnc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000357085124 428382871 /nfs/dbraw/zinc/38/28/71/428382871.db2.gz QKNOKUYLJHWVDO-DZGCQCFKSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1cc2cccnc2c(C[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357085131 428383099 /nfs/dbraw/zinc/38/30/99/428383099.db2.gz QKNOKUYLJHWVDO-ZFWWWQNUSA-N 2 1 301.821 2.930 20 0 DFADMP Clc1cc2cccnc2c(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000357085131 428383105 /nfs/dbraw/zinc/38/31/05/428383105.db2.gz QKNOKUYLJHWVDO-ZFWWWQNUSA-N 2 1 301.821 2.930 20 0 DFADMP CCN(CC)C(=O)CCC1CC[NH+](C[C@@H]([NH3+])CC(C)C)CC1 ZINC000414713354 428384114 /nfs/dbraw/zinc/38/41/14/428384114.db2.gz OYOJEQCNRCXPCD-KRWDZBQOSA-N 2 1 311.514 2.720 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713062 428384146 /nfs/dbraw/zinc/38/41/46/428384146.db2.gz VQQWUIFWQDRTFR-CVEARBPZSA-N 2 1 310.445 2.619 20 0 DFADMP [NH3+]C[C@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000414852214 428433747 /nfs/dbraw/zinc/43/37/47/428433747.db2.gz QNAVVSMSHNDCLH-AWEZNQCLSA-N 2 1 307.404 2.510 20 0 DFADMP [NH3+]C[C@@H]([NH2+]C1CCN(CC(F)(F)F)CC1)C1CCCCC1 ZINC000414852215 428433833 /nfs/dbraw/zinc/43/38/33/428433833.db2.gz QNAVVSMSHNDCLH-CQSZACIVSA-N 2 1 307.404 2.510 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000347075967 428434910 /nfs/dbraw/zinc/43/49/10/428434910.db2.gz UVMGNEINHCSNFR-MRXNPFEDSA-N 2 1 306.413 2.806 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000347073694 428435480 /nfs/dbraw/zinc/43/54/80/428435480.db2.gz RZKZAJCCWDCCGE-MOPGFXCFSA-N 2 1 315.505 2.971 20 0 DFADMP CC(C)(C)C(=O)N1CCC([NH2+][C@H](C[NH3+])C2CCCCC2)CC1 ZINC000414855859 428436734 /nfs/dbraw/zinc/43/67/34/428436734.db2.gz XOURRNYMVYBSOA-MRXNPFEDSA-N 2 1 309.498 2.521 20 0 DFADMP CC[NH+]1CCN(c2ccccc2C[N@@H+](C)Cc2cccnc2)CC1 ZINC000357231429 428445436 /nfs/dbraw/zinc/44/54/36/428445436.db2.gz LFWLKTLTIHRTSZ-UHFFFAOYSA-N 2 1 324.472 2.856 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000347109549 428448675 /nfs/dbraw/zinc/44/86/75/428448675.db2.gz NOSVBOMTKSKYED-GOSISDBHSA-N 2 1 311.429 2.831 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+]C[C@H]([NH3+])C3CC3)cc2)cs1 ZINC000414895839 428450229 /nfs/dbraw/zinc/45/02/29/428450229.db2.gz ZYOHWKZSBGPEIM-KRWDZBQOSA-N 2 1 317.458 2.857 20 0 DFADMP Clc1ccc2ncc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2c1 ZINC000347112864 428452374 /nfs/dbraw/zinc/45/23/74/428452374.db2.gz SAACNZOXLVXNJE-MRXNPFEDSA-N 2 1 318.852 2.952 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@H]2CCC[NH2+]CC2)c1 ZINC000414909394 428455530 /nfs/dbraw/zinc/45/55/30/428455530.db2.gz DMLONGDSWDTBIM-LBPRGKRZSA-N 2 1 313.239 2.689 20 0 DFADMP CC(=O)Nc1ccc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000372538013 428457232 /nfs/dbraw/zinc/45/72/32/428457232.db2.gz KOBMRWXUDCLUPQ-INIZCTEOSA-N 2 1 312.417 2.536 20 0 DFADMP CC(=O)Nc1ccc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000372538013 428457235 /nfs/dbraw/zinc/45/72/35/428457235.db2.gz KOBMRWXUDCLUPQ-INIZCTEOSA-N 2 1 312.417 2.536 20 0 DFADMP CCC[NH+]1CCC([NH2+]C2(c3ccc4c(c3)OCO4)CC2)CC1 ZINC000347128906 428458507 /nfs/dbraw/zinc/45/85/07/428458507.db2.gz NTWPVPBDBLIACW-UHFFFAOYSA-N 2 1 302.418 2.868 20 0 DFADMP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@@H]1[NH2+]CCCC1(C)C ZINC000414923680 428459474 /nfs/dbraw/zinc/45/94/74/428459474.db2.gz FOSPACIQOAGVJH-BBRMVZONSA-N 2 1 321.440 2.911 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@H]1CCC[NH2+][C@H]1C ZINC000414936686 428462875 /nfs/dbraw/zinc/46/28/75/428462875.db2.gz DBVFCUBNAPPEBF-IMJJTQAJSA-N 2 1 306.450 2.755 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1 ZINC000386779047 428463613 /nfs/dbraw/zinc/46/36/13/428463613.db2.gz JCAXDUCHBRXUNA-QAPCUYQASA-N 2 1 304.434 2.538 20 0 DFADMP C[C@H](CCNc1cc[nH+]c(N2CCCCC2)n1)[NH+]1CCCCC1 ZINC000353278210 428466188 /nfs/dbraw/zinc/46/61/88/428466188.db2.gz VZNPRGLHJBBFEA-MRXNPFEDSA-N 2 1 317.481 3.143 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414947884 428466425 /nfs/dbraw/zinc/46/64/25/428466425.db2.gz LIZUKDCKDHBFIF-BLLLJJGKSA-N 2 1 302.397 2.550 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[NH2+]1 ZINC000414947322 428466982 /nfs/dbraw/zinc/46/69/82/428466982.db2.gz KQJTYOFFBWGGFA-CRAIPNDOSA-N 2 1 311.429 2.891 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414946445 428467254 /nfs/dbraw/zinc/46/72/54/428467254.db2.gz JODYZVGSQPFYMD-KDOFPFPSSA-N 2 1 312.461 2.778 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccccc2OCC(F)(F)F)CC[NH2+]1 ZINC000414949879 428467687 /nfs/dbraw/zinc/46/76/87/428467687.db2.gz NWFRGOKSXUVLPJ-WCQYABFASA-N 2 1 302.340 2.858 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414951590 428468785 /nfs/dbraw/zinc/46/87/85/428468785.db2.gz HOSHPEYJTZEPLP-SGTLLEGYSA-N 2 1 316.424 2.716 20 0 DFADMP [NH3+]C[C@H](NC1CC[NH+](Cc2ccc(Cl)cc2)CC1)C1CC1 ZINC000414797228 428415856 /nfs/dbraw/zinc/41/58/56/428415856.db2.gz IKKPYGKRTGXRKT-KRWDZBQOSA-N 2 1 307.869 2.631 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCC(C)(C)[N@H+]1CCC[C@@H](C)C1 ZINC000347031513 428416043 /nfs/dbraw/zinc/41/60/43/428416043.db2.gz CCYXPOSHNMYLGL-HUUCEWRRSA-N 2 1 311.514 2.780 20 0 DFADMP OCc1ccc(C[N@@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000378508121 428416279 /nfs/dbraw/zinc/41/62/79/428416279.db2.gz OLZSFZYSWDZXSO-IBGZPJMESA-N 2 1 302.462 2.877 20 0 DFADMP OCc1ccc(C[N@H+]2CCC[C@@H](C[NH+]3CCCCC3)C2)cc1 ZINC000378508121 428416284 /nfs/dbraw/zinc/41/62/84/428416284.db2.gz OLZSFZYSWDZXSO-IBGZPJMESA-N 2 1 302.462 2.877 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1)C1CC1 ZINC000414809128 428417652 /nfs/dbraw/zinc/41/76/52/428417652.db2.gz TYUUGVPJYZIEBS-CQSZACIVSA-N 2 1 324.350 2.718 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCc3ccncc3)cc2)CC[C@H]1[NH3+] ZINC000347043420 428421351 /nfs/dbraw/zinc/42/13/51/428421351.db2.gz MQYJLZKLULBQGT-HNAYVOBHSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@H]1[NH3+] ZINC000347044522 428421695 /nfs/dbraw/zinc/42/16/95/428421695.db2.gz NELIODLAHSFPGG-BXUZGUMPSA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)cc2)CC[C@@H]1[NH3+] ZINC000347044529 428423536 /nfs/dbraw/zinc/42/35/36/428423536.db2.gz NELIODLAHSFPGG-FZMZJTMJSA-N 2 1 302.340 2.797 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414826491 428423739 /nfs/dbraw/zinc/42/37/39/428423739.db2.gz WBBLGZRUNRKVKT-HIFRSBDPSA-N 2 1 316.424 2.798 20 0 DFADMP C[NH+]1CCC2(CCC[N@H+]2Cc2ccc(-c3cc[nH]n3)o2)CC1 ZINC000378569762 428428040 /nfs/dbraw/zinc/42/80/40/428428040.db2.gz HQNOKRJAICCNSW-UHFFFAOYSA-N 2 1 300.406 2.730 20 0 DFADMP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC[N@H+]1Cc1ccccc1 ZINC000414831142 428428117 /nfs/dbraw/zinc/42/81/17/428428117.db2.gz PPELVLMRTMMMGY-FXAKRSSYSA-N 2 1 313.489 2.912 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)CCN1Cc1ccccc1 ZINC000414831142 428428122 /nfs/dbraw/zinc/42/81/22/428428122.db2.gz PPELVLMRTMMMGY-FXAKRSSYSA-N 2 1 313.489 2.912 20 0 DFADMP CCC[N@@H+](Cc1ccc(N2CCCC2)nc1)C1CC[NH2+]CC1 ZINC000347057547 428429373 /nfs/dbraw/zinc/42/93/73/428429373.db2.gz WDUUHCNFXFHGKF-UHFFFAOYSA-N 2 1 302.466 2.646 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNC[C@H]1CCC[NH2+]C1 ZINC000414838620 428429584 /nfs/dbraw/zinc/42/95/84/428429584.db2.gz XBINYFHGVPXGJC-SFHVURJKSA-N 2 1 303.494 2.734 20 0 DFADMP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414838620 428429587 /nfs/dbraw/zinc/42/95/87/428429587.db2.gz XBINYFHGVPXGJC-SFHVURJKSA-N 3 1 303.494 2.734 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414838620 428429593 /nfs/dbraw/zinc/42/95/93/428429593.db2.gz XBINYFHGVPXGJC-SFHVURJKSA-N 3 1 303.494 2.734 20 0 DFADMP C[N@H+](C[C@H](O)c1cccc(Cl)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372595146 428470082 /nfs/dbraw/zinc/47/00/82/428470082.db2.gz YDAAODHRLSXCBN-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP C[N@@H+](C[C@H](O)c1cccc(Cl)c1)C[C@H]1CCc2[nH+]ccn2C1 ZINC000372595146 428470088 /nfs/dbraw/zinc/47/00/88/428470088.db2.gz YDAAODHRLSXCBN-CJNGLKHVSA-N 2 1 319.836 2.764 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347062626 428432511 /nfs/dbraw/zinc/43/25/11/428432511.db2.gz ZXMMTAKVQSZUIM-ZFWWWQNUSA-N 2 1 322.449 2.662 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CCC[C@H]([C@H](C)[NH3+])C2)cc1OC ZINC000347062626 428432519 /nfs/dbraw/zinc/43/25/19/428432519.db2.gz ZXMMTAKVQSZUIM-ZFWWWQNUSA-N 2 1 322.449 2.662 20 0 DFADMP COc1ccc(C[NH2+][C@H](C)[C@H]2CCC[NH2+]C2)c(Cl)c1OC ZINC000414850958 428432669 /nfs/dbraw/zinc/43/26/69/428432669.db2.gz IXFVAVOFYFSCLG-NEPJUHHUSA-N 2 1 312.841 2.835 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000378586926 428432873 /nfs/dbraw/zinc/43/28/73/428432873.db2.gz ZZDJQBUXUHNRRO-KRWDZBQOSA-N 2 1 309.417 2.878 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](n2cc3ccccc3n2)C1 ZINC000378586926 428432881 /nfs/dbraw/zinc/43/28/81/428432881.db2.gz ZZDJQBUXUHNRRO-KRWDZBQOSA-N 2 1 309.417 2.878 20 0 DFADMP C[NH2+]C[C@H](C)CNC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414847446 428433144 /nfs/dbraw/zinc/43/31/44/428433144.db2.gz VVUIAZLDVQOQFQ-UXDRXVOSSA-N 2 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000414847446 428433150 /nfs/dbraw/zinc/43/31/50/428433150.db2.gz VVUIAZLDVQOQFQ-UXDRXVOSSA-N 3 1 301.478 2.627 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000414847446 428433157 /nfs/dbraw/zinc/43/31/57/428433157.db2.gz VVUIAZLDVQOQFQ-UXDRXVOSSA-N 3 1 301.478 2.627 20 0 DFADMP CCn1ccnc1CN1CCC[N@@H+](CCC2CCCC2)CC1 ZINC000372650019 428483029 /nfs/dbraw/zinc/48/30/29/428483029.db2.gz OXDVQMYDUGOLAD-UHFFFAOYSA-N 2 1 304.482 2.991 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+]Cc1ccc(OCC2CC2)cc1 ZINC000415002463 428484286 /nfs/dbraw/zinc/48/42/86/428484286.db2.gz NKSBWUQMZFSKOS-HNNXBMFYSA-N 2 1 310.388 2.810 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC[N@@H+]1Cc1ccccc1 ZINC000415027735 428493440 /nfs/dbraw/zinc/49/34/40/428493440.db2.gz BKTHBBPWOZADAF-QXCFHYIPSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C[NH3+])C2)CC[N@H+]1Cc1ccccc1 ZINC000415027735 428493447 /nfs/dbraw/zinc/49/34/47/428493447.db2.gz BKTHBBPWOZADAF-QXCFHYIPSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000395213858 428493808 /nfs/dbraw/zinc/49/38/08/428493808.db2.gz WCWHXBCZNOWNRV-UHOSZYNNSA-N 2 1 301.478 2.629 20 0 DFADMP c1cc(-c2ccccc2)sc1C[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000415031399 428494050 /nfs/dbraw/zinc/49/40/50/428494050.db2.gz DZXNASZVYBOLMR-HNNXBMFYSA-N 2 1 302.443 2.883 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCO2)[C@H](C)C1 ZINC000360932121 428495971 /nfs/dbraw/zinc/49/59/71/428495971.db2.gz YOSUTUSVOIKUKG-BDXSIMOUSA-N 2 1 312.498 2.671 20 0 DFADMP CC[C@@H]([NH2+]C[C@H](C(C)C)[NH+]1CCCC1)C1(C(=O)OC)CCC1 ZINC000353355572 428497095 /nfs/dbraw/zinc/49/70/95/428497095.db2.gz RTFGMNZGEFIWEE-HZPDHXFCSA-N 2 1 310.482 2.818 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)c2)cn1 ZINC000415041435 428498732 /nfs/dbraw/zinc/49/87/32/428498732.db2.gz LKIWTENLLLCINH-YOEHRIQHSA-N 2 1 316.474 2.898 20 0 DFADMP c1cn(-c2csc(C[N@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)c2)cn1 ZINC000415041426 428498948 /nfs/dbraw/zinc/49/89/48/428498948.db2.gz LKIWTENLLLCINH-RHSMWYFYSA-N 2 1 316.474 2.898 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000415048717 428500364 /nfs/dbraw/zinc/50/03/64/428500364.db2.gz XGLHXPMNIYRZAB-JAZQRGJZSA-N 3 1 313.489 2.614 20 0 DFADMP CC(C)c1cnc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415050075 428500662 /nfs/dbraw/zinc/50/06/62/428500662.db2.gz IGBJFPLETYECKE-UHFFFAOYSA-N 2 1 322.522 2.573 20 0 DFADMP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000415048721 428500851 /nfs/dbraw/zinc/50/08/51/428500851.db2.gz XGLHXPMNIYRZAB-OUUBHVDSSA-N 3 1 313.489 2.614 20 0 DFADMP c1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2c(c1)OCCCO2 ZINC000415052720 428501836 /nfs/dbraw/zinc/50/18/36/428501836.db2.gz NOAGPCQEYXWFTG-NVXWUHKLSA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(C[N@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c2c(c1)OCCCO2 ZINC000415052720 428501839 /nfs/dbraw/zinc/50/18/39/428501839.db2.gz NOAGPCQEYXWFTG-NVXWUHKLSA-N 2 1 316.445 2.812 20 0 DFADMP c1cc(N2CCCC2)ncc1C[N@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415055013 428503905 /nfs/dbraw/zinc/50/39/05/428503905.db2.gz QOWKQCHZRFVACH-QZTJIDSGSA-N 2 1 314.477 2.646 20 0 DFADMP CCn1c2ccccc2c2cc(C[N@@H+](C)C[C@H](O)C[NH3+])ccc21 ZINC000415055536 428504241 /nfs/dbraw/zinc/50/42/41/428504241.db2.gz NGVLZDNTHXVHRI-OAHLLOKOSA-N 2 1 311.429 2.566 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057363 428504341 /nfs/dbraw/zinc/50/43/41/428504341.db2.gz UADRGOHIBBPERQ-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP c1nn(-c2ccccc2)cc1C[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415057363 428504347 /nfs/dbraw/zinc/50/43/47/428504347.db2.gz UADRGOHIBBPERQ-PKOBYXMFSA-N 2 1 310.445 2.836 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415054753 428504756 /nfs/dbraw/zinc/50/47/56/428504756.db2.gz QJWIMTRMGWGEAK-HKUYNNGSSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cc(C[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC(C)C ZINC000415057756 428505016 /nfs/dbraw/zinc/50/50/16/428505016.db2.gz TYYWKHBCGCGNSW-RDTXWAMCSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@@H](C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1 ZINC000415061094 428507395 /nfs/dbraw/zinc/50/73/95/428507395.db2.gz XXMACZOVHRMEMU-MNNVXMFVSA-N 2 1 319.468 2.735 20 0 DFADMP [NH3+]C[C@H]([NH2+]Cc1cnc(-c2ccncc2)s1)C1CCCC1 ZINC000415072090 428509800 /nfs/dbraw/zinc/50/98/00/428509800.db2.gz XPZJDTHLVNXLQB-HNNXBMFYSA-N 2 1 302.447 2.812 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000360957825 428509919 /nfs/dbraw/zinc/50/99/19/428509919.db2.gz NYBIGAVVAGVINB-PMPSAXMXSA-N 2 1 311.514 2.780 20 0 DFADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@H]2C)CCC1 ZINC000372994681 428510563 /nfs/dbraw/zinc/51/05/63/428510563.db2.gz FKSWATHDAISDIG-XMTFNYHQSA-N 2 1 324.509 2.813 20 0 DFADMP COC1(C[C@H](C)[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCC1 ZINC000372994681 428510567 /nfs/dbraw/zinc/51/05/67/428510567.db2.gz FKSWATHDAISDIG-XMTFNYHQSA-N 2 1 324.509 2.813 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415071247 428510969 /nfs/dbraw/zinc/51/09/69/428510969.db2.gz WHMRLTMEROEIEZ-RHSMWYFYSA-N 2 1 303.450 2.819 20 0 DFADMP CC[NH+](CC)C[C@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000360958983 428511982 /nfs/dbraw/zinc/51/19/82/428511982.db2.gz URBRXEJCBAHKOK-QZTJIDSGSA-N 2 1 323.525 2.879 20 0 DFADMP COc1ccc([C@@H](C[NH2+]C2CC[NH2+]CC2)N2CCCCC2)cc1 ZINC000415087974 428515317 /nfs/dbraw/zinc/51/53/17/428515317.db2.gz UJVDBGIFDJLBJT-LJQANCHMSA-N 2 1 317.477 2.564 20 0 DFADMP C[C@@H]1CC[N@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1C[NH3+] ZINC000415133755 428531906 /nfs/dbraw/zinc/53/19/06/428531906.db2.gz VLUQPFAIIZWHPZ-CHWSQXEVSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cnc(-c3ccccn3)s2)C[C@H]1C[NH3+] ZINC000415133755 428531909 /nfs/dbraw/zinc/53/19/09/428531909.db2.gz VLUQPFAIIZWHPZ-CHWSQXEVSA-N 2 1 302.447 2.622 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c1 ZINC000415119277 428527148 /nfs/dbraw/zinc/52/71/48/428527148.db2.gz FFLKWEQPWYNNRJ-WBVHZDCISA-N 2 1 306.450 2.519 20 0 DFADMP COc1cc(Br)ccc1C[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414957214 428472448 /nfs/dbraw/zinc/47/24/48/428472448.db2.gz VWTCWMZDWHLCDB-ZWNOBZJWSA-N 2 1 313.239 2.688 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390398801 428475083 /nfs/dbraw/zinc/47/50/83/428475083.db2.gz SMXRZFCFAUOUTQ-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000390398801 428475092 /nfs/dbraw/zinc/47/50/92/428475092.db2.gz SMXRZFCFAUOUTQ-IRXDYDNUSA-N 2 1 318.461 2.928 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H](CCO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353535017 428581393 /nfs/dbraw/zinc/58/13/93/428581393.db2.gz VAYZPCGCCUZFGS-CADBVGFASA-N 2 1 302.462 2.615 20 0 DFADMP Cc1nccn1CCC[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353544075 428585204 /nfs/dbraw/zinc/58/52/04/428585204.db2.gz ADQGOPVHJUCXST-UHFFFAOYSA-N 3 1 304.438 2.629 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CCCN(C)Cc1ccco1 ZINC000353544075 428585210 /nfs/dbraw/zinc/58/52/10/428585210.db2.gz ADQGOPVHJUCXST-UHFFFAOYSA-N 3 1 304.438 2.629 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CCCN(C)Cc1ccco1 ZINC000353544075 428585213 /nfs/dbraw/zinc/58/52/13/428585213.db2.gz ADQGOPVHJUCXST-UHFFFAOYSA-N 3 1 304.438 2.629 20 0 DFADMP C[N@H+]1CCC[C@H](CNC(=O)C2([NH3+])CCCC2)[C@H]1c1cccs1 ZINC000361717084 428590440 /nfs/dbraw/zinc/59/04/40/428590440.db2.gz APHFMKODIRFGNK-HIFRSBDPSA-N 2 1 321.490 2.519 20 0 DFADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358250909 428590555 /nfs/dbraw/zinc/59/05/55/428590555.db2.gz LVGKKTZNKINTLC-IAQYHMDHSA-N 2 1 317.260 2.581 20 0 DFADMP C[C@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358250909 428590561 /nfs/dbraw/zinc/59/05/61/428590561.db2.gz LVGKKTZNKINTLC-IAQYHMDHSA-N 2 1 317.260 2.581 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@@H+]1Cc1ccccc1 ZINC000358288910 428592985 /nfs/dbraw/zinc/59/29/85/428592985.db2.gz PDKKRGGKBHZUMR-AYOQOUSVSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3n[nH]cc3C2)CC[N@H+]1Cc1ccccc1 ZINC000358288910 428592991 /nfs/dbraw/zinc/59/29/91/428592991.db2.gz PDKKRGGKBHZUMR-AYOQOUSVSA-N 2 1 324.472 2.910 20 0 DFADMP C[C@@H]1CC[C@H]([NH2+]CC2=CC[N@@H+](C)CC2)CN1C(=O)OC(C)(C)C ZINC000399050133 428532244 /nfs/dbraw/zinc/53/22/44/428532244.db2.gz UTIOBKHBNLDFEB-ZBFHGGJFSA-N 2 1 323.481 2.626 20 0 DFADMP C[C@H]1CC[N@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000415131453 428532823 /nfs/dbraw/zinc/53/28/23/428532823.db2.gz SHGITCLOTMLSFZ-JQWIXIFHSA-N 2 1 302.340 2.844 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(OC(F)F)c(F)c2)C[C@@H]1C[NH3+] ZINC000415131453 428532830 /nfs/dbraw/zinc/53/28/30/428532830.db2.gz SHGITCLOTMLSFZ-JQWIXIFHSA-N 2 1 302.340 2.844 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133413 428532904 /nfs/dbraw/zinc/53/29/04/428532904.db2.gz VFLCKXGGIRCFSR-RDJZCZTQSA-N 2 1 312.461 2.812 20 0 DFADMP C[C@@H](N[C@H]1CC[C@@H](C)[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000399004830 428533348 /nfs/dbraw/zinc/53/33/48/428533348.db2.gz WUTAYZIQZWRNAH-RWQQGDIJSA-N 2 1 301.478 2.627 20 0 DFADMP CCc1cccc(F)c1C[N@H+]1CC2(CC[NH2+]CC2)[C@@H]2COC[C@@H]21 ZINC000415139982 428533756 /nfs/dbraw/zinc/53/37/56/428533756.db2.gz MKINXLSKBOFHOS-AEFFLSMTSA-N 2 1 318.436 2.589 20 0 DFADMP [NH3+]CC1(O)CC[NH+](Cc2ccc(Cl)c(C(F)(F)F)c2)CC1 ZINC000415137579 428535373 /nfs/dbraw/zinc/53/53/73/428535373.db2.gz FSADVICAERHAJD-UHFFFAOYSA-N 2 1 322.758 2.644 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438783 428537829 /nfs/dbraw/zinc/53/78/29/428537829.db2.gz VULKAKCOXXNUQI-NCXUSEDFSA-N 2 1 301.478 2.752 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438783 428537836 /nfs/dbraw/zinc/53/78/36/428537836.db2.gz VULKAKCOXXNUQI-NCXUSEDFSA-N 2 1 301.478 2.752 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1 ZINC000353438783 428537841 /nfs/dbraw/zinc/53/78/41/428537841.db2.gz VULKAKCOXXNUQI-NCXUSEDFSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400327731 428544557 /nfs/dbraw/zinc/54/45/57/428544557.db2.gz CTKXVWOWMXOVQS-YTQUADARSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@H](NC[C@]1(C)CCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000400811612 428547802 /nfs/dbraw/zinc/54/78/02/428547802.db2.gz YNKPJQDKDIJFAV-UHOSZYNNSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353462313 428548097 /nfs/dbraw/zinc/54/80/97/428548097.db2.gz IOHVOMNCUNASCQ-NCXUSEDFSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353462313 428548100 /nfs/dbraw/zinc/54/81/00/428548100.db2.gz IOHVOMNCUNASCQ-NCXUSEDFSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[NH+](CCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000353462313 428548107 /nfs/dbraw/zinc/54/81/07/428548107.db2.gz IOHVOMNCUNASCQ-NCXUSEDFSA-N 3 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[N@H+](CCCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C1 ZINC000353462313 428548111 /nfs/dbraw/zinc/54/81/11/428548111.db2.gz IOHVOMNCUNASCQ-NCXUSEDFSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCC[NH2+][C@@H]2CCN(C)[C@@H]3CCC[C@@H]32)C1 ZINC000353462313 428548118 /nfs/dbraw/zinc/54/81/18/428548118.db2.gz IOHVOMNCUNASCQ-NCXUSEDFSA-N 2 1 307.526 2.961 20 0 DFADMP C[C@H](N[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCC[NH2+]1 ZINC000400742095 428548869 /nfs/dbraw/zinc/54/88/69/428548869.db2.gz TWBWYKUCOLDXRF-ABHMUUKNSA-N 2 1 313.489 2.627 20 0 DFADMP CC(C)[N@@H+](C)CCN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000361328776 428558325 /nfs/dbraw/zinc/55/83/25/428558325.db2.gz QYKBXJYYPFGGOB-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361328776 428558329 /nfs/dbraw/zinc/55/83/29/428558329.db2.gz QYKBXJYYPFGGOB-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)CCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000361328776 428558331 /nfs/dbraw/zinc/55/83/31/428558331.db2.gz QYKBXJYYPFGGOB-PKOBYXMFSA-N 2 1 303.494 2.969 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000353487662 428560226 /nfs/dbraw/zinc/56/02/26/428560226.db2.gz NBNLSICWCNLYGC-MNEFBYGVSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H](CO)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000353487662 428560231 /nfs/dbraw/zinc/56/02/31/428560231.db2.gz NBNLSICWCNLYGC-MNEFBYGVSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H](C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1)[NH+]1CCCCCC1 ZINC000357812972 428565993 /nfs/dbraw/zinc/56/59/93/428565993.db2.gz VEBSDJSVIWGFGW-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1OC ZINC000404365831 428568568 /nfs/dbraw/zinc/56/85/68/428568568.db2.gz HFSYXSWCEBVHKL-CZUORRHYSA-N 2 1 306.450 2.962 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[NH+]2CCC[C@@H]2C1 ZINC000353499594 428568802 /nfs/dbraw/zinc/56/88/02/428568802.db2.gz VMCCUTKCNJBAJH-LJQANCHMSA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[N@@H+]2CCC[C@@H]2C1 ZINC000353499594 428568806 /nfs/dbraw/zinc/56/88/06/428568806.db2.gz VMCCUTKCNJBAJH-LJQANCHMSA-N 2 1 315.505 2.925 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)CN1CC[N@H+]2CCC[C@@H]2C1 ZINC000353499594 428568812 /nfs/dbraw/zinc/56/88/12/428568812.db2.gz VMCCUTKCNJBAJH-LJQANCHMSA-N 2 1 315.505 2.925 20 0 DFADMP C[N@H+]1CC[C@H](NC2CC[NH+](C3CCCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000353514227 428571914 /nfs/dbraw/zinc/57/19/14/428571914.db2.gz BUDRJFKUCWOIJU-GBESFXJTSA-N 3 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C2CC[NH+](C3CCCC3)CC2)[C@@H]2CCC[C@H]21 ZINC000353514227 428571921 /nfs/dbraw/zinc/57/19/21/428571921.db2.gz BUDRJFKUCWOIJU-GBESFXJTSA-N 3 1 305.510 2.856 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CCCO)c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353518519 428574184 /nfs/dbraw/zinc/57/41/84/428574184.db2.gz LFOQXWMPTDHURX-ZSYWTGECSA-N 2 1 302.462 2.963 20 0 DFADMP CC[N@H+](C)[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000343822008 428575092 /nfs/dbraw/zinc/57/50/92/428575092.db2.gz FNQLOEMWILYLTO-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCC[NH+]1CCC(C)CC1)c1ccccc1 ZINC000343822008 428575098 /nfs/dbraw/zinc/57/50/98/428575098.db2.gz FNQLOEMWILYLTO-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CC(C)(C)N1CCc2ccccc2C1 ZINC000358009118 428575201 /nfs/dbraw/zinc/57/52/01/428575201.db2.gz BPPMQLIUWKRFJI-APWZRJJASA-N 2 1 315.505 2.753 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccc(-n3ccnc3)c2)[C@H]2CCC[C@H]21 ZINC000353521580 428576439 /nfs/dbraw/zinc/57/64/39/428576439.db2.gz QFJBQZPJWJNYTJ-CEXWTWQISA-N 2 1 310.445 2.835 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353564755 428596462 /nfs/dbraw/zinc/59/64/62/428596462.db2.gz IGSKHBKBUSUWMI-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000353564755 428596468 /nfs/dbraw/zinc/59/64/68/428596468.db2.gz IGSKHBKBUSUWMI-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000353564755 428596472 /nfs/dbraw/zinc/59/64/72/428596472.db2.gz IGSKHBKBUSUWMI-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CC(C)[NH+](C)C[C@@H](C)N[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000353564755 428596477 /nfs/dbraw/zinc/59/64/77/428596477.db2.gz IGSKHBKBUSUWMI-MJGOQNOKSA-N 2 1 303.494 2.969 20 0 DFADMP CCCC[N@H+](C)C[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353572818 428599115 /nfs/dbraw/zinc/59/91/15/428599115.db2.gz ZCQUYVIHNPOUCZ-CQSZACIVSA-N 2 1 310.511 2.822 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)[NH2+]C1CCN(c2nccs2)CC1 ZINC000353572818 428599119 /nfs/dbraw/zinc/59/91/19/428599119.db2.gz ZCQUYVIHNPOUCZ-CQSZACIVSA-N 2 1 310.511 2.822 20 0 DFADMP C[C@H]1C[N@H+](C2CC2)C[C@@H]1NC1CC[NH+](C2CCCCC2)CC1 ZINC000361973956 428607156 /nfs/dbraw/zinc/60/71/56/428607156.db2.gz ZSPDAIPPYUHSOR-KXBFYZLASA-N 2 1 305.510 2.856 20 0 DFADMP C[C@H]1CN(C2CC2)C[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000361973956 428607160 /nfs/dbraw/zinc/60/71/60/428607160.db2.gz ZSPDAIPPYUHSOR-KXBFYZLASA-N 2 1 305.510 2.856 20 0 DFADMP COCc1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cs1 ZINC000347576749 428608459 /nfs/dbraw/zinc/60/84/59/428608459.db2.gz YATLGTAKMILVLE-UHFFFAOYSA-N 2 1 311.495 2.843 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@@H+](C)C2CCC(F)(F)CC2)CC1 ZINC000347586203 428615096 /nfs/dbraw/zinc/61/50/96/428615096.db2.gz TVCOBWMEXLVFTG-UHFFFAOYSA-N 2 1 317.468 2.912 20 0 DFADMP C[C@@H](c1ccc(F)cc1F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344041502 428618564 /nfs/dbraw/zinc/61/85/64/428618564.db2.gz VYUHZQNDINCSFN-AWEZNQCLSA-N 2 1 313.436 2.841 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H]2CCC[C@H]21 ZINC000353611812 428619435 /nfs/dbraw/zinc/61/94/35/428619435.db2.gz FRLWAEZYGCOJMD-FGTMMUONSA-N 2 1 315.461 2.975 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000415909308 428623207 /nfs/dbraw/zinc/62/32/07/428623207.db2.gz FPSOWSXZSQDUIC-HNNXBMFYSA-N 2 1 318.465 2.505 20 0 DFADMP CC[C@H]1C[N@@H+](CCCc2ccc(C)nc2)CCN1CC(F)F ZINC000353615877 428623514 /nfs/dbraw/zinc/62/35/14/428623514.db2.gz MMEFDCJZTXDNAN-INIZCTEOSA-N 2 1 311.420 2.984 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C ZINC000415914079 428625041 /nfs/dbraw/zinc/62/50/41/428625041.db2.gz ULQKTDICCNWJGO-GASCZTMLSA-N 2 1 318.465 2.790 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)N(C)C[C@H]1CCC[N@@H+](C)C1 ZINC000415957923 428634671 /nfs/dbraw/zinc/63/46/71/428634671.db2.gz QMIMLOMEWGZBOI-HNNXBMFYSA-N 2 1 318.465 2.602 20 0 DFADMP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+](CC)C(C)C ZINC000415950300 428634734 /nfs/dbraw/zinc/63/47/34/428634734.db2.gz HMPCTQOFDAAVDC-UHFFFAOYSA-N 2 1 306.454 2.648 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@H](C)C2)c1 ZINC000415928406 428628807 /nfs/dbraw/zinc/62/88/07/428628807.db2.gz HKVHFENYGTZZJG-LSDHHAIUSA-N 2 1 318.465 2.648 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358711937 428636825 /nfs/dbraw/zinc/63/68/25/428636825.db2.gz DSFYQRWAVMORPY-XLIONFOSSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C)CC2)CC[N@H+]1Cc1ccccc1 ZINC000358711937 428636830 /nfs/dbraw/zinc/63/68/30/428636830.db2.gz DSFYQRWAVMORPY-XLIONFOSSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)NC[C@@H](C)[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000415969314 428636959 /nfs/dbraw/zinc/63/69/59/428636959.db2.gz FVBAIXCBSJWJAD-HUUCEWRRSA-N 2 1 318.465 2.648 20 0 DFADMP CCCC[N@H+]1CCCC[C@H]1CNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415981530 428639123 /nfs/dbraw/zinc/63/91/23/428639123.db2.gz VWHOVMFGJJLBIW-KRWDZBQOSA-N 2 1 318.465 2.921 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)Nc2ccc(C[NH3+])cc2)C1 ZINC000415975670 428639493 /nfs/dbraw/zinc/63/94/93/428639493.db2.gz MQLXOKTWRAWGBR-AWEZNQCLSA-N 2 1 318.465 2.777 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@](C)(O)C1CC1 ZINC000344412107 428640046 /nfs/dbraw/zinc/64/00/46/428640046.db2.gz UYEGFHLVIUYPMF-IBGZPJMESA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H](C[N@@H+]1C[C@H](C)C[C@H](C)C1)NC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415979449 428640431 /nfs/dbraw/zinc/64/04/31/428640431.db2.gz QVESUOSFRFSLHE-ZNMIVQPWSA-N 2 1 318.465 2.633 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000358720771 428642272 /nfs/dbraw/zinc/64/22/72/428642272.db2.gz VTWXNJGTWDIMMT-LZQZEXGQSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@](C)(O)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000358720771 428642279 /nfs/dbraw/zinc/64/22/79/428642279.db2.gz VTWXNJGTWDIMMT-LZQZEXGQSA-N 2 1 302.462 2.790 20 0 DFADMP C[N@@H+](CCNC(=O)Nc1ccc(C[NH3+])cc1)C1CCCCC1 ZINC000415958523 428635274 /nfs/dbraw/zinc/63/52/74/428635274.db2.gz NNPORPCDQDSKHZ-UHFFFAOYSA-N 2 1 304.438 2.531 20 0 DFADMP Cc1nc2ccc(NC(=O)c3ccc4c(c3)CC[NH2+]CC4)cc2[nH]1 ZINC000353675292 428651265 /nfs/dbraw/zinc/65/12/65/428651265.db2.gz JZSNZJYFUUFCGK-UHFFFAOYSA-N 2 1 320.396 2.812 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@@H+]3CCCC[C@H]13)C2 ZINC000277146572 274153536 /nfs/dbraw/zinc/15/35/36/274153536.db2.gz DKZSJDZCJYJLNV-RYQLBKOJSA-N 2 1 300.446 2.769 20 0 DFADMP COc1cccc2c1CC[C@H]([NH2+][C@H]1CC[N@H+]3CCCC[C@H]13)C2 ZINC000277146572 274153538 /nfs/dbraw/zinc/15/35/38/274153538.db2.gz DKZSJDZCJYJLNV-RYQLBKOJSA-N 2 1 300.446 2.769 20 0 DFADMP CCOC(=O)c1coc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000353661827 428647985 /nfs/dbraw/zinc/64/79/85/428647985.db2.gz XYOBKJKDHOWTLN-OAHLLOKOSA-N 2 1 317.389 2.626 20 0 DFADMP CCOC(=O)c1coc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)c1 ZINC000353661827 428647988 /nfs/dbraw/zinc/64/79/88/428647988.db2.gz XYOBKJKDHOWTLN-OAHLLOKOSA-N 2 1 317.389 2.626 20 0 DFADMP C[C@@H]1C[C@]2(CCO1)C[N@@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](C)O2 ZINC000373973980 428657688 /nfs/dbraw/zinc/65/76/88/428657688.db2.gz CNCVYPUKMCFLGX-VSZNYVQBSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[C@]2(CCO1)C[N@H+](CC[C@@H]1CCCC[NH+]1C)C[C@H](C)O2 ZINC000373973980 428657694 /nfs/dbraw/zinc/65/76/94/428657694.db2.gz CNCVYPUKMCFLGX-VSZNYVQBSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[C@]2(CCO1)C[NH+](CC[C@@H]1CCCC[N@@H+]1C)C[C@H](C)O2 ZINC000373973980 428657700 /nfs/dbraw/zinc/65/77/00/428657700.db2.gz CNCVYPUKMCFLGX-VSZNYVQBSA-N 2 1 310.482 2.519 20 0 DFADMP C[C@@H]1C[C@]2(CCO1)C[NH+](CC[C@@H]1CCCC[N@H+]1C)C[C@H](C)O2 ZINC000373973980 428657707 /nfs/dbraw/zinc/65/77/07/428657707.db2.gz CNCVYPUKMCFLGX-VSZNYVQBSA-N 2 1 310.482 2.519 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184365 428652643 /nfs/dbraw/zinc/65/26/43/428652643.db2.gz IGTGUKRAZQTNOG-QAPCUYQASA-N 2 1 302.462 2.969 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184365 428652648 /nfs/dbraw/zinc/65/26/48/428652648.db2.gz IGTGUKRAZQTNOG-QAPCUYQASA-N 2 1 302.462 2.969 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)C[C@H]1C ZINC000362184365 428652653 /nfs/dbraw/zinc/65/26/53/428652653.db2.gz IGTGUKRAZQTNOG-QAPCUYQASA-N 2 1 302.462 2.969 20 0 DFADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@@H+]1CCCCn1cc[nH+]c1C ZINC000348202623 428654266 /nfs/dbraw/zinc/65/42/66/428654266.db2.gz MRKCPYVWKMDXCM-MSOLQXFVSA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@@H]1CN(C(C)=O)[C@@H](CC)C[N@H+]1CCCCn1cc[nH+]c1C ZINC000348202623 428654271 /nfs/dbraw/zinc/65/42/71/428654271.db2.gz MRKCPYVWKMDXCM-MSOLQXFVSA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@H]1C[N@H+](CCCCn2cc[nH+]c2C)[C@@H](CC)CN1C(C)=O ZINC000348202625 428654687 /nfs/dbraw/zinc/65/46/87/428654687.db2.gz MRKCPYVWKMDXCM-ROUUACIJSA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@H]1C[N@@H+](CCCCn2cc[nH+]c2C)[C@@H](CC)CN1C(C)=O ZINC000348202625 428654693 /nfs/dbraw/zinc/65/46/93/428654693.db2.gz MRKCPYVWKMDXCM-ROUUACIJSA-N 2 1 320.481 2.693 20 0 DFADMP CC(=O)NC1CCC([NH2+]C[C@H]2CCC[N@H+]2C2CCCCC2)CC1 ZINC000373903155 428655195 /nfs/dbraw/zinc/65/51/95/428655195.db2.gz JZYQHTAIFLMCJP-FAFZWHIHSA-N 2 1 321.509 2.820 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@@H](O)c3ccc(F)cc3)C2)CC1 ZINC000374179235 428668390 /nfs/dbraw/zinc/66/83/90/428668390.db2.gz RHEHFWWZMPGUTM-QGZVFWFLSA-N 2 1 306.425 2.667 20 0 DFADMP CC[N@H+]1CCC[C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416146431 428675209 /nfs/dbraw/zinc/67/52/09/428675209.db2.gz UTVZSYBHESTXBS-FUHWJXTLSA-N 2 1 317.477 2.528 20 0 DFADMP C[C@@H]1C[C@@H](N(C)Cc2cnc([C@@H]3CCCO3)s2)CC[N@H+]1C ZINC000353756578 428698084 /nfs/dbraw/zinc/69/80/84/428698084.db2.gz WDZXKVSIAGZQRH-IPYPFGDCSA-N 2 1 309.479 2.909 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000353754812 428698344 /nfs/dbraw/zinc/69/83/44/428698344.db2.gz QLOMBENTYNAOQK-KSSFIOAISA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000353754812 428698349 /nfs/dbraw/zinc/69/83/49/428698349.db2.gz QLOMBENTYNAOQK-KSSFIOAISA-N 2 1 303.450 2.950 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc(NC(C)=O)cc2)C[C@@H]1C ZINC000353754812 428698352 /nfs/dbraw/zinc/69/83/52/428698352.db2.gz QLOMBENTYNAOQK-KSSFIOAISA-N 2 1 303.450 2.950 20 0 DFADMP CC(C)[NH+]1CCC([NH2+]Cc2ccc(C[S@@](C)=O)cc2)CC1 ZINC000353794816 428719687 /nfs/dbraw/zinc/71/96/87/428719687.db2.gz LSMHSDZFLLIOLB-OAQYLSRUSA-N 2 1 308.491 2.528 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc3[nH]c(C)cc3c2)CC1 ZINC000353799931 428722373 /nfs/dbraw/zinc/72/23/73/428722373.db2.gz XPXVGROCKRDFEO-UHFFFAOYSA-N 2 1 301.434 2.677 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348374969 428722809 /nfs/dbraw/zinc/72/28/09/428722809.db2.gz GTXKZSZFRLWEMH-MJBXVCDLSA-N 2 1 308.388 2.806 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCO[C@H](C(F)(F)F)C1 ZINC000348374969 428722812 /nfs/dbraw/zinc/72/28/12/428722812.db2.gz GTXKZSZFRLWEMH-MJBXVCDLSA-N 2 1 308.388 2.806 20 0 DFADMP C[C@H](C[N@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21)c1ccccc1 ZINC000374420431 428678601 /nfs/dbraw/zinc/67/86/01/428678601.db2.gz LIKWEUJURPMMCN-XGXHKWSGSA-N 2 1 302.462 2.974 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)C(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416171680 428681247 /nfs/dbraw/zinc/68/12/47/428681247.db2.gz RMRFXNSUNXOAKW-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCOC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348259502 428682266 /nfs/dbraw/zinc/68/22/66/428682266.db2.gz FZHHKROELYQDMV-WDSOQIARSA-N 2 1 302.462 2.913 20 0 DFADMP CC[N@@H+]1C[C@H](NCC[C@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619676 428683055 /nfs/dbraw/zinc/68/30/55/428683055.db2.gz XDKWLNRFMHKVSU-LNLFQRSKSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1C[C@H](NCC[C@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619676 428683060 /nfs/dbraw/zinc/68/30/60/428683060.db2.gz XDKWLNRFMHKVSU-LNLFQRSKSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1C[C@H](NCC[C@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619676 428683067 /nfs/dbraw/zinc/68/30/67/428683067.db2.gz XDKWLNRFMHKVSU-LNLFQRSKSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000348262028 428683099 /nfs/dbraw/zinc/68/30/99/428683099.db2.gz HZDZAOSDNFLQQH-PMACEKPBSA-N 2 1 315.505 2.797 20 0 DFADMP CC[N@@H+]1C[C@H](NCC[C@@H](C)[NH+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619677 428684352 /nfs/dbraw/zinc/68/43/52/428684352.db2.gz XDKWLNRFMHKVSU-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1C[C@H](NCC[C@@H](C)[N@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619677 428684357 /nfs/dbraw/zinc/68/43/57/428684357.db2.gz XDKWLNRFMHKVSU-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC[NH+]1C[C@H](NCC[C@@H](C)[N@@H+](C)Cc2ccccc2)[C@@H](C)C1 ZINC000344619677 428684362 /nfs/dbraw/zinc/68/43/62/428684362.db2.gz XDKWLNRFMHKVSU-SCTDSRPQSA-N 2 1 303.494 2.827 20 0 DFADMP CC[N@H+]1C[C@H](C)N(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)C[C@@H]1C ZINC000416184247 428685399 /nfs/dbraw/zinc/68/53/99/428685399.db2.gz NIJBSGRSWZGRRI-BQFCYCMXSA-N 2 1 317.477 2.621 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000416188339 428685564 /nfs/dbraw/zinc/68/55/64/428685564.db2.gz GYKWCVAPISKYBN-BPQIPLTHSA-N 2 1 317.477 2.524 20 0 DFADMP C[C@@H](C[NH+](C)C)NC1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000348275511 428688543 /nfs/dbraw/zinc/68/85/43/428688543.db2.gz CJYILLYTKWUTLQ-UXDRXVOSSA-N 2 1 301.478 2.722 20 0 DFADMP CC(C)[C@@H](C(=O)NCCC[N@H+]1CCCC[C@@H]1C)[NH+]1CCCCC1 ZINC000358819922 428690954 /nfs/dbraw/zinc/69/09/54/428690954.db2.gz RYKVUMAVYVNTIY-ROUUACIJSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)CC[N@H+]1C ZINC000344685274 428692682 /nfs/dbraw/zinc/69/26/82/428692682.db2.gz QGGCLRZYEBOFNK-WCQYABFASA-N 2 1 320.387 2.927 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000353749213 428693984 /nfs/dbraw/zinc/69/39/84/428693984.db2.gz UYYRFLHCMXWXOR-ZBFHGGJFSA-N 2 1 304.434 2.762 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000353749213 428693986 /nfs/dbraw/zinc/69/39/86/428693986.db2.gz UYYRFLHCMXWXOR-ZBFHGGJFSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000353749213 428693991 /nfs/dbraw/zinc/69/39/91/428693991.db2.gz UYYRFLHCMXWXOR-ZBFHGGJFSA-N 2 1 304.434 2.762 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)Cc2ccc3c(c2)OCCO3)C[C@H]1C ZINC000353749213 428693996 /nfs/dbraw/zinc/69/39/96/428693996.db2.gz UYYRFLHCMXWXOR-ZBFHGGJFSA-N 2 1 304.434 2.762 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@H]2C[C@H]2c2cccc(F)c2)CC1 ZINC000411248988 428763690 /nfs/dbraw/zinc/76/36/90/428763690.db2.gz YGTMSWGQBPETKZ-JVPBZIDWSA-N 2 1 320.452 2.706 20 0 DFADMP Cc1nc(CO[C@@H]2CC[NH+](CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC000374882046 428773527 /nfs/dbraw/zinc/77/35/27/428773527.db2.gz VIQPPOFRBMSJAR-JKSUJKDBSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@@H]2CC[NH+](CC[C@@H]3CCC[N@@H+]3C)C2)cs1 ZINC000374882046 428773529 /nfs/dbraw/zinc/77/35/29/428773529.db2.gz VIQPPOFRBMSJAR-JKSUJKDBSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@@H+](CC[C@@H]3CCC[NH+]3C)C2)cs1 ZINC000374882046 428773534 /nfs/dbraw/zinc/77/35/34/428773534.db2.gz VIQPPOFRBMSJAR-JKSUJKDBSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1nc(CO[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH+]3C)C2)cs1 ZINC000374882046 428773537 /nfs/dbraw/zinc/77/35/37/428773537.db2.gz VIQPPOFRBMSJAR-JKSUJKDBSA-N 2 1 309.479 2.527 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[NH+]2CC[C@H]2CCC[N@@H+]2C)n1 ZINC000362400190 428734596 /nfs/dbraw/zinc/73/45/96/428734596.db2.gz FQJDYSASXJRPEC-SJORKVTESA-N 2 1 302.466 2.751 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[N@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000362400190 428734597 /nfs/dbraw/zinc/73/45/97/428734597.db2.gz FQJDYSASXJRPEC-SJORKVTESA-N 2 1 302.466 2.751 20 0 DFADMP Cc1cccc(NC[C@@H]2CCC[N@@H+]2CC[C@H]2CCC[NH+]2C)n1 ZINC000362400190 428734601 /nfs/dbraw/zinc/73/46/01/428734601.db2.gz FQJDYSASXJRPEC-SJORKVTESA-N 2 1 302.466 2.751 20 0 DFADMP CCn1nc(C)c(CN2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000354078200 428849576 /nfs/dbraw/zinc/84/95/76/428849576.db2.gz OQSJTFYGPKFSEJ-KRWDZBQOSA-N 2 1 304.482 2.684 20 0 DFADMP CCn1nc(C)c(C[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000354078200 428849581 /nfs/dbraw/zinc/84/95/81/428849581.db2.gz OQSJTFYGPKFSEJ-KRWDZBQOSA-N 2 1 304.482 2.684 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1C ZINC000354078200 428849587 /nfs/dbraw/zinc/84/95/87/428849587.db2.gz OQSJTFYGPKFSEJ-KRWDZBQOSA-N 2 1 304.482 2.684 20 0 DFADMP CCn1nc(C)c(C[NH+]2CC[C@@H](C[N@H+](C)CC3CC3)C2)c1C ZINC000354078200 428849591 /nfs/dbraw/zinc/84/95/91/428849591.db2.gz OQSJTFYGPKFSEJ-KRWDZBQOSA-N 2 1 304.482 2.684 20 0 DFADMP CCn1nc(C)c(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CC3)C2)c1C ZINC000354078200 428849596 /nfs/dbraw/zinc/84/95/96/428849596.db2.gz OQSJTFYGPKFSEJ-KRWDZBQOSA-N 2 1 304.482 2.684 20 0 DFADMP C[C@@H](C[S@@](C)=O)[N@@H+](C)Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC000411510694 428808208 /nfs/dbraw/zinc/80/82/08/428808208.db2.gz GYSNMSQBHIFNFW-KSFYIVLOSA-N 2 1 322.518 2.871 20 0 DFADMP Cc1ccc(F)c(C[N@@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354016575 428822212 /nfs/dbraw/zinc/82/22/12/428822212.db2.gz AGAANSBXGUDCLS-VQIMIIECSA-N 2 1 319.468 2.592 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1 ZINC000354016575 428822221 /nfs/dbraw/zinc/82/22/21/428822221.db2.gz AGAANSBXGUDCLS-VQIMIIECSA-N 2 1 319.468 2.592 20 0 DFADMP C[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)CC1(CO)CC1 ZINC000411613556 428824721 /nfs/dbraw/zinc/82/47/21/428824721.db2.gz PXMXYJHAFZGVTH-UHFFFAOYSA-N 2 1 302.462 2.877 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)[C@H]1CO ZINC000411614229 428825266 /nfs/dbraw/zinc/82/52/66/428825266.db2.gz KPBSWBDUUHMSRV-LPHOPBHVSA-N 2 1 302.462 2.875 20 0 DFADMP Cc1[nH+]ccn1CCCN1CCSC[C@@H]1c1nccs1 ZINC000375229713 428826439 /nfs/dbraw/zinc/82/64/39/428826439.db2.gz PAHFDQVGLAOMQU-CYBMUJFWSA-N 2 1 308.476 2.828 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000411632130 428829084 /nfs/dbraw/zinc/82/90/84/428829084.db2.gz OTUNGCZOBVWMBN-MRXNPFEDSA-N 2 1 320.481 2.559 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CC(=O)N1CCCC[C@H]1C ZINC000411632130 428829086 /nfs/dbraw/zinc/82/90/86/428829086.db2.gz OTUNGCZOBVWMBN-MRXNPFEDSA-N 2 1 320.481 2.559 20 0 DFADMP Fc1ccc(N2CCC[N@H+](CCC[NH+]3CCCC3)CC2)cc1F ZINC000375290831 428843852 /nfs/dbraw/zinc/84/38/52/428843852.db2.gz CYZDRQJOUIHUGA-UHFFFAOYSA-N 2 1 323.431 2.963 20 0 DFADMP Fc1ccc(N2CCC[N@@H+](CCC[NH+]3CCCC3)CC2)cc1F ZINC000375290831 428843856 /nfs/dbraw/zinc/84/38/56/428843856.db2.gz CYZDRQJOUIHUGA-UHFFFAOYSA-N 2 1 323.431 2.963 20 0 DFADMP CC(CC[NH+](C(C)C)C1COC1)CC[N@@H+](C(C)C)C1COC1 ZINC000411766423 428854308 /nfs/dbraw/zinc/85/43/08/428854308.db2.gz CCODLLFOSWNARK-UHFFFAOYSA-N 2 1 312.498 2.621 20 0 DFADMP CSc1ccccc1NC(=O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359183515 428855270 /nfs/dbraw/zinc/85/52/70/428855270.db2.gz ACCVZZVXXVWKNN-UHFFFAOYSA-N 2 1 321.490 2.669 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc(F)c(F)c2)C1 ZINC000354096940 428860469 /nfs/dbraw/zinc/86/04/69/428860469.db2.gz MNFPEVKOEIVIPY-OAHLLOKOSA-N 2 1 312.404 2.898 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2ccc(F)c(F)c2)C1 ZINC000354096940 428860474 /nfs/dbraw/zinc/86/04/74/428860474.db2.gz MNFPEVKOEIVIPY-OAHLLOKOSA-N 2 1 312.404 2.898 20 0 DFADMP Cc1cccc2nc(CN3C[C@@H]4C[N@H+]5CCCC[C@H]5[C@@H]4C3)cn21 ZINC000363118064 428860647 /nfs/dbraw/zinc/86/06/47/428860647.db2.gz QYXWVYWDNIDXSR-NXHRZFHOSA-N 2 1 310.445 2.559 20 0 DFADMP CC(CC[NH+](C)[C@@H](C)C(C)(C)O)CC[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000411799910 428861091 /nfs/dbraw/zinc/86/10/91/428861091.db2.gz VQMLEKHMFLOXFY-HOTGVXAUSA-N 2 1 316.530 2.585 20 0 DFADMP Fc1ccc([C@@H]2C[N@H+](CCC3CC[NH2+]CC3)CCO2)cc1F ZINC000359199509 428862899 /nfs/dbraw/zinc/86/28/99/428862899.db2.gz XGYBGWOIPADXDV-KRWDZBQOSA-N 2 1 310.388 2.728 20 0 DFADMP Fc1ccc([C@@H]2C[N@@H+](CCC3CC[NH2+]CC3)CCO2)cc1F ZINC000359199509 428862900 /nfs/dbraw/zinc/86/29/00/428862900.db2.gz XGYBGWOIPADXDV-KRWDZBQOSA-N 2 1 310.388 2.728 20 0 DFADMP C[N@@H+](CC1CC1)C[C@H]1CCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000354102228 428863727 /nfs/dbraw/zinc/86/37/27/428863727.db2.gz ZBLFZMWJXZZFCQ-VGSWGCGISA-N 2 1 320.502 2.588 20 0 DFADMP CC1CC[NH+](C[C@H]2CCC[N@@H+](CCC3CC[NH2+]CC3)C2)CC1 ZINC000359213086 428867236 /nfs/dbraw/zinc/86/72/36/428867236.db2.gz GYZLKCZXOASWEP-IBGZPJMESA-N 3 1 307.526 2.820 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](CCC2CC[NH2+]CC2)C1 ZINC000359226051 428876092 /nfs/dbraw/zinc/87/60/92/428876092.db2.gz VPFDNQILOHTYNC-MJGOQNOKSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226051 428876097 /nfs/dbraw/zinc/87/60/97/428876097.db2.gz VPFDNQILOHTYNC-MJGOQNOKSA-N 3 1 307.526 2.963 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](CCC2CC[NH2+]CC2)C1 ZINC000359226051 428876101 /nfs/dbraw/zinc/87/61/01/428876101.db2.gz VPFDNQILOHTYNC-MJGOQNOKSA-N 3 1 307.526 2.963 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000348955068 428886693 /nfs/dbraw/zinc/88/66/93/428886693.db2.gz CDFITYZUTMACFJ-KRWDZBQOSA-N 2 1 311.514 2.687 20 0 DFADMP CCC[C@H](C[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1)c1ccccc1 ZINC000348973665 428890049 /nfs/dbraw/zinc/89/00/49/428890049.db2.gz IJHYRTRJGSWERY-MOPGFXCFSA-N 2 1 301.478 2.550 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1OC ZINC000354167263 428893845 /nfs/dbraw/zinc/89/38/45/428893845.db2.gz OKKRFDUTZHVETC-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH+](C)C3)c(C)c1OC ZINC000354167263 428893850 /nfs/dbraw/zinc/89/38/50/428893850.db2.gz OKKRFDUTZHVETC-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@H+](C)C3)c(C)c1OC ZINC000354167263 428893855 /nfs/dbraw/zinc/89/38/55/428893855.db2.gz OKKRFDUTZHVETC-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP COc1ccc(C[NH+]2CC[C@]3(C2)CCC[N@@H+](C)C3)c(C)c1OC ZINC000354167263 428893860 /nfs/dbraw/zinc/89/38/60/428893860.db2.gz OKKRFDUTZHVETC-LJQANCHMSA-N 2 1 318.461 2.930 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC2([NH+](C)C)CCCCC2)[C@H]1C ZINC000354164134 428894454 /nfs/dbraw/zinc/89/44/54/428894454.db2.gz OHFWLZWPRIOGDQ-HRCADAONSA-N 2 1 310.482 2.818 20 0 DFADMP CCc1oc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)cc1C(=O)OC ZINC000354166225 428894683 /nfs/dbraw/zinc/89/46/83/428894683.db2.gz KIISJGSREJXDMQ-SFHVURJKSA-N 2 1 320.433 2.546 20 0 DFADMP CN1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165509 428895487 /nfs/dbraw/zinc/89/54/87/428895487.db2.gz GSQCWBQJPCIOEC-QGZVFWFLSA-N 2 1 300.406 2.587 20 0 DFADMP C[N@@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165509 428895494 /nfs/dbraw/zinc/89/54/94/428895494.db2.gz GSQCWBQJPCIOEC-QGZVFWFLSA-N 2 1 300.406 2.587 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165509 428895496 /nfs/dbraw/zinc/89/54/96/428895496.db2.gz GSQCWBQJPCIOEC-QGZVFWFLSA-N 2 1 300.406 2.587 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165509 428895502 /nfs/dbraw/zinc/89/55/02/428895502.db2.gz GSQCWBQJPCIOEC-QGZVFWFLSA-N 2 1 300.406 2.587 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)C1 ZINC000354165509 428895506 /nfs/dbraw/zinc/89/55/06/428895506.db2.gz GSQCWBQJPCIOEC-QGZVFWFLSA-N 2 1 300.406 2.587 20 0 DFADMP C[C@@H]1OCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000354174344 428900408 /nfs/dbraw/zinc/90/04/08/428900408.db2.gz XCNQNKFNMJDUGX-BYUNMRKYSA-N 2 1 300.446 2.949 20 0 DFADMP C[C@@H](C(=O)NCC[N@@H+]1[C@H](C)CCC[C@@H]1C)[NH+]1CCCCCC1 ZINC000345505071 428912401 /nfs/dbraw/zinc/91/24/01/428912401.db2.gz JLEYIJWQSWLQBE-BBWFWOEESA-N 2 1 309.498 2.630 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(c2ccccc2CO)CC1 ZINC000375573064 428912783 /nfs/dbraw/zinc/91/27/83/428912783.db2.gz UWRDASARWZYCRD-UHFFFAOYSA-N 2 1 313.445 2.954 20 0 DFADMP CCc1nccc([C@@H]2CCC[N@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000363459315 428918754 /nfs/dbraw/zinc/91/87/54/428918754.db2.gz KBTOOTWNNBZGKK-HZPDHXFCSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@@H]2CCC[N@@H+](CC[C@H]3CCC[NH+]3C)C2)n1 ZINC000363459315 428918760 /nfs/dbraw/zinc/91/87/60/428918760.db2.gz KBTOOTWNNBZGKK-HZPDHXFCSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@@H+]3C)C2)n1 ZINC000363459315 428918764 /nfs/dbraw/zinc/91/87/64/428918764.db2.gz KBTOOTWNNBZGKK-HZPDHXFCSA-N 2 1 302.466 2.703 20 0 DFADMP CCc1nccc([C@@H]2CCC[NH+](CC[C@H]3CCC[N@H+]3C)C2)n1 ZINC000363459315 428918769 /nfs/dbraw/zinc/91/87/69/428918769.db2.gz KBTOOTWNNBZGKK-HZPDHXFCSA-N 2 1 302.466 2.703 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000349119615 428922503 /nfs/dbraw/zinc/92/25/03/428922503.db2.gz QUTTXGZZOWMZOA-ROUUACIJSA-N 2 1 323.525 2.734 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000349117046 428922702 /nfs/dbraw/zinc/92/27/02/428922702.db2.gz JDLCVQAQLZPDEG-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCCCC[N@@H+]1CCCC[C@H]1C ZINC000349117046 428922705 /nfs/dbraw/zinc/92/27/05/428922705.db2.gz JDLCVQAQLZPDEG-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CCC[NH+]1CCC[C@H]1C(=O)NCCCC[N@H+]1CCCC[C@H]1C ZINC000349117046 428922712 /nfs/dbraw/zinc/92/27/12/428922712.db2.gz JDLCVQAQLZPDEG-SJORKVTESA-N 2 1 309.498 2.632 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)CC2CCCCC2)C[C@@H]1C ZINC000354224553 428926229 /nfs/dbraw/zinc/92/62/29/428926229.db2.gz RWOAOUFJFZVEOR-WMZOPIPTSA-N 2 1 323.525 2.830 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCC2=CCCCC2)C[C@@H]1C ZINC000354226404 428926327 /nfs/dbraw/zinc/92/63/27/428926327.db2.gz VZTGZGVLUAKXFN-WMZOPIPTSA-N 2 1 321.509 2.798 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226431 428926412 /nfs/dbraw/zinc/92/64/12/428926412.db2.gz WDCNXBVJWAEHNP-PBHICJAKSA-N 2 1 321.440 2.959 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)C[C@H]1C ZINC000354226431 428926413 /nfs/dbraw/zinc/92/64/13/428926413.db2.gz WDCNXBVJWAEHNP-PBHICJAKSA-N 2 1 321.440 2.959 20 0 DFADMP CCN(C(=O)CN(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1)C1CCCCC1 ZINC000354223984 428928000 /nfs/dbraw/zinc/92/80/00/428928000.db2.gz MMTFNMDPUFRWDQ-AEFFLSMTSA-N 2 1 323.525 2.972 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354226037 428928044 /nfs/dbraw/zinc/92/80/44/428928044.db2.gz USAULQZTHGLQFH-WMLDXEAASA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354226037 428928048 /nfs/dbraw/zinc/92/80/48/428928048.db2.gz USAULQZTHGLQFH-WMLDXEAASA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354226037 428928054 /nfs/dbraw/zinc/92/80/54/428928054.db2.gz USAULQZTHGLQFH-WMLDXEAASA-N 2 1 304.434 2.778 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)Cc2cccc(C(=O)OC)c2)C[C@@H]1C ZINC000354226037 428928060 /nfs/dbraw/zinc/92/80/60/428928060.db2.gz USAULQZTHGLQFH-WMLDXEAASA-N 2 1 304.434 2.778 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N[C@@H]2CCC[C@H](C)[C@@H]2C)C[C@H]1C ZINC000354223017 428928476 /nfs/dbraw/zinc/92/84/76/428928476.db2.gz KRNKJGWEZKVUEI-FLXSYLCISA-N 2 1 323.525 2.732 20 0 DFADMP CCn1cc(CC[N@@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000375674375 428939990 /nfs/dbraw/zinc/93/99/90/428939990.db2.gz JMCVOLYCCKPDOK-INIZCTEOSA-N 2 1 313.449 2.583 20 0 DFADMP CCn1cc(CC[N@H+]2CC[C@@H](CNc3cc(C)cc[nH+]3)C2)cn1 ZINC000375674375 428939993 /nfs/dbraw/zinc/93/99/93/428939993.db2.gz JMCVOLYCCKPDOK-INIZCTEOSA-N 2 1 313.449 2.583 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CCCC[NH2+]C2)C3)cc1 ZINC000423556142 428971945 /nfs/dbraw/zinc/97/19/45/428971945.db2.gz MMZHBQPDIQMRMM-YSTOQKLRSA-N 3 1 313.489 2.914 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000359377267 428946182 /nfs/dbraw/zinc/94/61/82/428946182.db2.gz YGMTWSBRYLUNPM-LJQANCHMSA-N 2 1 319.468 2.894 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000359379682 428947092 /nfs/dbraw/zinc/94/70/92/428947092.db2.gz PGVOXXIBOKYGJI-BZUAXINKSA-N 2 1 307.507 2.815 20 0 DFADMP [NH3+]CC[C@H]1CCC[N@@H+](Cc2csc(Nc3ccccc3)n2)C1 ZINC000420316550 428958116 /nfs/dbraw/zinc/95/81/16/428958116.db2.gz SYCISZUXXMQRMP-CQSZACIVSA-N 2 1 316.474 3.448 20 0 DFADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423558525 428970650 /nfs/dbraw/zinc/97/06/50/428970650.db2.gz NVMITVDEMNFBRD-SFHVURJKSA-N 2 1 310.445 2.981 20 0 DFADMP Fc1cc2cccnc2c(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000375950821 429026091 /nfs/dbraw/zinc/02/60/91/429026091.db2.gz ZDICKRFASZUQEU-CYBMUJFWSA-N 2 1 310.376 2.923 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1cccc2cc[nH]c21 ZINC000355209129 429032268 /nfs/dbraw/zinc/03/22/68/429032268.db2.gz QYXDZCZIMVFRNJ-SQNIBIBYSA-N 2 1 313.445 2.851 20 0 DFADMP C[C@@H](N[C@H]1C[N@@H+](C2CC2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349377136 428976164 /nfs/dbraw/zinc/97/61/64/428976164.db2.gz IPVASHNLYRGTEB-LTDCPUDJSA-N 2 1 301.478 2.750 20 0 DFADMP C[C@@H](N[C@H]1C[N@H+](C2CC2)C[C@H]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000349377136 428976182 /nfs/dbraw/zinc/97/61/82/428976182.db2.gz IPVASHNLYRGTEB-LTDCPUDJSA-N 2 1 301.478 2.750 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]CCCCOc2ccccc2)CCCO1 ZINC000433024179 428979443 /nfs/dbraw/zinc/97/94/43/428979443.db2.gz VUUOPEHHINYFJU-GOSISDBHSA-N 2 1 320.477 2.936 20 0 DFADMP C[C@H](C(=O)N(CC[NH+](C)C)C1CCCC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000412198402 428980999 /nfs/dbraw/zinc/98/09/99/428980999.db2.gz WRWVOMBUJYKTKI-OWCLPIDISA-N 2 1 309.498 2.581 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccc(C(=O)OC)cc1 ZINC000349411855 428984645 /nfs/dbraw/zinc/98/46/45/428984645.db2.gz BICBKXVBEJELGC-UHFFFAOYSA-N 2 1 304.434 2.781 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccc(C(=O)OC)cc1 ZINC000349411855 428984647 /nfs/dbraw/zinc/98/46/47/428984647.db2.gz BICBKXVBEJELGC-UHFFFAOYSA-N 2 1 304.434 2.781 20 0 DFADMP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000423644053 428987054 /nfs/dbraw/zinc/98/70/54/428987054.db2.gz ZEOQSGBDSDADNQ-MSOLQXFVSA-N 2 1 317.477 2.627 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CC2(CO)CC(c3ccccc3)C2)CC[N@H+]1C ZINC000433086003 428994450 /nfs/dbraw/zinc/99/44/50/428994450.db2.gz YGLACKUWKDMPPC-BARLLCKDSA-N 2 1 302.462 2.615 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@@H]1CCCN(c2ccccc2)C1 ZINC000433093610 428994794 /nfs/dbraw/zinc/99/47/94/428994794.db2.gz VALZSWNUOWAJIH-ZIFCJYIRSA-N 2 1 301.478 2.833 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000375845972 428995384 /nfs/dbraw/zinc/99/53/84/428995384.db2.gz ZRKULJPJAZXBFQ-NEWSRXKRSA-N 2 1 324.472 2.698 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CCc2nccn2C1 ZINC000375845972 428995389 /nfs/dbraw/zinc/99/53/89/428995389.db2.gz ZRKULJPJAZXBFQ-NEWSRXKRSA-N 2 1 324.472 2.698 20 0 DFADMP COc1ccc(OCCC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375849860 428997679 /nfs/dbraw/zinc/99/76/79/428997679.db2.gz IHBMPLOKAPNBRP-GUDVDZBRSA-N 2 1 318.461 2.927 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)[C@@H]2CCCC[C@]2(C)[NH3+])C1 ZINC000423720550 429003829 /nfs/dbraw/zinc/00/38/29/429003829.db2.gz ANSAIECZPMANHX-BCDMZGRMSA-N 2 1 321.509 2.758 20 0 DFADMP C[C@@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354846903 429013342 /nfs/dbraw/zinc/01/33/42/429013342.db2.gz DOTZSINIVZNSEG-SJLPKXTDSA-N 2 1 317.477 2.670 20 0 DFADMP CN(CC[N@@H+](C)C1CCCCC1)C(=O)[C@](C)([NH3+])c1ccccc1 ZINC000423770167 429014181 /nfs/dbraw/zinc/01/41/81/429014181.db2.gz ZOTYWSGGAOOYQD-LJQANCHMSA-N 2 1 317.477 2.583 20 0 DFADMP C[C@@H]1C[N@@H+](CC(=O)NC[C@@H](c2ccccc2)[NH+](C)C)C(C)(C)C1 ZINC000354849826 429014766 /nfs/dbraw/zinc/01/47/66/429014766.db2.gz MAQCTGBHWFYAID-RDJZCZTQSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)N2Cc1ccccc1 ZINC000423444056 429089034 /nfs/dbraw/zinc/08/90/34/429089034.db2.gz AUMIQRYOOMUIGY-OQIJWPOYSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H](C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000434504693 429091897 /nfs/dbraw/zinc/09/18/97/429091897.db2.gz VSOBDYBNJMNINT-ZHALLVOQSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CCO1 ZINC000434504693 429091900 /nfs/dbraw/zinc/09/19/00/429091900.db2.gz VSOBDYBNJMNINT-ZHALLVOQSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CCO1 ZINC000434504693 429091903 /nfs/dbraw/zinc/09/19/03/429091903.db2.gz VSOBDYBNJMNINT-ZHALLVOQSA-N 2 1 317.477 2.650 20 0 DFADMP C[C@@H]1C[C@H](C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CCO1 ZINC000434504693 429091906 /nfs/dbraw/zinc/09/19/06/429091906.db2.gz VSOBDYBNJMNINT-ZHALLVOQSA-N 2 1 317.477 2.650 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423469288 429092363 /nfs/dbraw/zinc/09/23/63/429092363.db2.gz OTVDVGBLEYJNJB-CABZTGNLSA-N 2 1 318.202 2.679 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1(CC)CC ZINC000423472277 429092389 /nfs/dbraw/zinc/09/23/89/429092389.db2.gz HXIXHXMLTOADMS-MELADBBJSA-N 2 1 304.425 2.805 20 0 DFADMP FC1(F)C[NH2+]CC[C@@H]1C[NH2+][C@H](C[C@@H]1CCOC1)c1ccccc1 ZINC000423463082 429092657 /nfs/dbraw/zinc/09/26/57/429092657.db2.gz AJXFLTKNACMFLZ-USXIJHARSA-N 2 1 324.415 2.989 20 0 DFADMP CC(C)CO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1(C)C ZINC000423464276 429093089 /nfs/dbraw/zinc/09/30/89/429093089.db2.gz BJTXEXWMLLGMQB-BFHYXJOUSA-N 2 1 304.425 2.661 20 0 DFADMP Cc1ncsc1CN(C)C[C@H]1CC[N@@H+](CC[C@H]2CCCO2)C1 ZINC000434494911 429093528 /nfs/dbraw/zinc/09/35/28/429093528.db2.gz QLVNQJRCWZZSGP-HZPDHXFCSA-N 2 1 323.506 2.774 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2Cc1ccc2c(c1)CCC2 ZINC000355216396 429036232 /nfs/dbraw/zinc/03/62/32/429036232.db2.gz FIAWOEVUFLUNPS-AABGKKOBSA-N 2 1 314.473 2.859 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H]1CCO[C@@H]1c1ccc(Cl)cc1 ZINC000277058535 274861533 /nfs/dbraw/zinc/86/15/33/274861533.db2.gz MZSXRPOLFLBHDP-JKSUJKDBSA-N 2 1 305.809 2.965 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000423490795 429096730 /nfs/dbraw/zinc/09/67/30/429096730.db2.gz ZEXAJNVBWDSWDP-MFKMUULPSA-N 2 1 314.351 2.656 20 0 DFADMP CC(C)(C)C(=O)N1CCC(C[NH2+]C(C)(C)C[NH+]2CCCC2)CC1 ZINC000452091376 429053376 /nfs/dbraw/zinc/05/33/76/429053376.db2.gz BFWODMLSPNRMQE-UHFFFAOYSA-N 2 1 323.525 2.735 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]2C[NH3+])nnn1-c1ccc(C)cc1 ZINC000423281142 429055335 /nfs/dbraw/zinc/05/53/35/429055335.db2.gz UYMJITJMQCPNMX-JLJPHGGASA-N 2 1 313.449 2.662 20 0 DFADMP FC(F)(F)[C@H]1C[C@H]([NH2+]CC[NH2+]C2CCCCCC2)CCO1 ZINC000423280545 429055373 /nfs/dbraw/zinc/05/53/73/429055373.db2.gz SWGLMQOIYDDSPC-ZIAGYGMSSA-N 2 1 308.388 2.998 20 0 DFADMP CC(C)[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(NC(=O)NC2CC2)cc1 ZINC000423278038 429055579 /nfs/dbraw/zinc/05/55/79/429055579.db2.gz QKAYFJYRXGVGST-LRDDRELGSA-N 2 1 304.438 2.604 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]([NH3+])C(C)C)c2ccccc21 ZINC000423283755 429056099 /nfs/dbraw/zinc/05/60/99/429056099.db2.gz XNBVXJHIAAPEOS-BRWVUGGUSA-N 2 1 304.434 2.741 20 0 DFADMP CC(C)(CN1CCCC1)[NH2+]Cc1cncn1Cc1ccccc1 ZINC000452098578 429056331 /nfs/dbraw/zinc/05/63/31/429056331.db2.gz UPSHWJOUVRLWBD-UHFFFAOYSA-N 2 1 312.461 2.895 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000423286324 429058278 /nfs/dbraw/zinc/05/82/78/429058278.db2.gz GNXWYQNFBYCMCU-LBPRGKRZSA-N 2 1 310.438 2.881 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H](N[C@H]4CCC[NH2+]C4)[C@H]3C2)cc1 ZINC000423306180 429060250 /nfs/dbraw/zinc/06/02/50/429060250.db2.gz SHPWNHIPHGWURQ-LWYYNNOASA-N 3 1 313.489 2.629 20 0 DFADMP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@H+]1CCC[C@@H](C)C1 ZINC000423329573 429065940 /nfs/dbraw/zinc/06/59/40/429065940.db2.gz MVTSHFJSKMCJKC-KFWWJZLASA-N 2 1 303.450 2.557 20 0 DFADMP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423337848 429067522 /nfs/dbraw/zinc/06/75/22/429067522.db2.gz UGPOWPZGJHSQOR-HKUYNNGSSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CC1(C)CC[NH2+]CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000423337848 429067526 /nfs/dbraw/zinc/06/75/26/429067526.db2.gz UGPOWPZGJHSQOR-HKUYNNGSSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@@H](CNC(=O)[C@@H]([NH3+])CC1CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000423332807 429067547 /nfs/dbraw/zinc/06/75/47/429067547.db2.gz PKELQWFWOLQJEN-VYDXJSESSA-N 2 1 309.498 2.663 20 0 DFADMP [NH3+]CC(F)(F)CN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423348382 429069598 /nfs/dbraw/zinc/06/95/98/429069598.db2.gz STPAMSOKKRPTGA-BRWVUGGUSA-N 2 1 323.431 2.613 20 0 DFADMP [NH3+]CC(F)(F)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423348382 429069602 /nfs/dbraw/zinc/06/96/02/429069602.db2.gz STPAMSOKKRPTGA-BRWVUGGUSA-N 2 1 323.431 2.613 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@@H]([NH3+])C3CCC3)cc2)C1 ZINC000423341358 429069623 /nfs/dbraw/zinc/06/96/23/429069623.db2.gz UFSFLZBROHOUDQ-KSSFIOAISA-N 2 1 315.461 2.984 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccc(NC(=O)C2(C)C[NH2+]C2)cc1 ZINC000423343323 429070630 /nfs/dbraw/zinc/07/06/30/429070630.db2.gz VUAQRKRPMSBLMB-CQSZACIVSA-N 2 1 301.434 2.609 20 0 DFADMP C[C@H](NCC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423363855 429072750 /nfs/dbraw/zinc/07/27/50/429072750.db2.gz OCQMDXATZKWBIH-YTQUADARSA-N 2 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423363855 429072752 /nfs/dbraw/zinc/07/27/52/429072752.db2.gz OCQMDXATZKWBIH-YTQUADARSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCC[NH2+]1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423363855 429072755 /nfs/dbraw/zinc/07/27/55/429072755.db2.gz OCQMDXATZKWBIH-YTQUADARSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423364671 429074194 /nfs/dbraw/zinc/07/41/94/429074194.db2.gz CRXQRPNIGBONIC-RACLHMPKSA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423364671 429074197 /nfs/dbraw/zinc/07/41/97/429074197.db2.gz CRXQRPNIGBONIC-RACLHMPKSA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423364671 429074199 /nfs/dbraw/zinc/07/41/99/429074199.db2.gz CRXQRPNIGBONIC-RACLHMPKSA-N 3 1 313.489 2.770 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2C[NH2+]CC[C@H]2C)c(C)c1OC ZINC000423370083 429075174 /nfs/dbraw/zinc/07/51/74/429075174.db2.gz UBUATPMEROMFKM-WWGRRREGSA-N 2 1 306.450 2.531 20 0 DFADMP COCCOCC[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000376202732 429075195 /nfs/dbraw/zinc/07/51/95/429075195.db2.gz DYLGVUXHOBAAPW-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000376202732 429075199 /nfs/dbraw/zinc/07/51/99/429075199.db2.gz DYLGVUXHOBAAPW-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cc2O1 ZINC000424129018 429097291 /nfs/dbraw/zinc/09/72/91/429097291.db2.gz FVBBIUPKPGXSAH-STQMWFEESA-N 2 1 310.344 2.725 20 0 DFADMP COCCOCC[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000376202732 429075203 /nfs/dbraw/zinc/07/52/03/429075203.db2.gz DYLGVUXHOBAAPW-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP COCCOCC[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000376202732 429075208 /nfs/dbraw/zinc/07/52/08/429075208.db2.gz DYLGVUXHOBAAPW-LJQANCHMSA-N 2 1 320.477 2.636 20 0 DFADMP FC1(F)Oc2ccc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cc2O1 ZINC000424129018 429097295 /nfs/dbraw/zinc/09/72/95/429097295.db2.gz FVBBIUPKPGXSAH-STQMWFEESA-N 2 1 310.344 2.725 20 0 DFADMP C[NH2+][C@H](C)CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423396211 429079004 /nfs/dbraw/zinc/07/90/04/429079004.db2.gz RNPYWHOFPNBSFO-OWYHZJEWSA-N 2 1 301.478 2.627 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1ccc(Cl)cc1Cl ZINC000423407623 429080994 /nfs/dbraw/zinc/08/09/94/429080994.db2.gz MUCVYHNQDYYNNJ-IIMNLJJBSA-N 2 1 303.233 2.614 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cnn1-c1ccc(F)cc1 ZINC000423406861 429081865 /nfs/dbraw/zinc/08/18/65/429081865.db2.gz VEHFAOSPPYEJIH-ZJNRKIDTSA-N 2 1 316.424 2.968 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C)c1ccc(-n2cncn2)cc1Cl ZINC000423405888 429082297 /nfs/dbraw/zinc/08/22/97/429082297.db2.gz UHJODDXAVUSRJN-BFQNTYOBSA-N 2 1 319.840 2.569 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)c1ccc([C@@H](C)[NH3+])cc1 ZINC000423415002 429084071 /nfs/dbraw/zinc/08/40/71/429084071.db2.gz CZHKRDBRMGZBFV-PBHICJAKSA-N 2 1 303.450 2.701 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423424087 429085179 /nfs/dbraw/zinc/08/51/79/429085179.db2.gz CLJWLFNMPLHZAK-VNTMZGSJSA-N 3 1 313.489 2.800 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000423424087 429085182 /nfs/dbraw/zinc/08/51/82/429085182.db2.gz CLJWLFNMPLHZAK-VNTMZGSJSA-N 3 1 313.489 2.800 20 0 DFADMP Brc1ccc2c(c1)CCC[C@@H]2[NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000423424156 429085434 /nfs/dbraw/zinc/08/54/34/429085434.db2.gz FJXRERKAKRGWDV-LJISPDSOSA-N 2 1 307.235 2.634 20 0 DFADMP COC[C@]1(C[NH2+][C@H](C)CCc2c(F)cccc2F)CCC[NH2+]1 ZINC000423415686 429085538 /nfs/dbraw/zinc/08/55/38/429085538.db2.gz PEZXVVAZBBVEBI-CXAGYDPISA-N 2 1 312.404 2.644 20 0 DFADMP COc1cccc(C[C@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2ccccc2)c1 ZINC000423424574 429085935 /nfs/dbraw/zinc/08/59/35/429085935.db2.gz FXIZGPSHCCRMMT-ZGXWSNOMSA-N 2 1 308.425 2.786 20 0 DFADMP CC[N@@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000423427158 429086094 /nfs/dbraw/zinc/08/60/94/429086094.db2.gz IICXTVQAGOCLFC-NVXWUHKLSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423444056 429089029 /nfs/dbraw/zinc/08/90/29/429089029.db2.gz AUMIQRYOOMUIGY-OQIJWPOYSA-N 3 1 301.478 2.899 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[C@@H]2CCCC[N@H+]2C)c1 ZINC000424443195 429143102 /nfs/dbraw/zinc/14/31/02/429143102.db2.gz ZTRHGZKDWPPPSA-KRWDZBQOSA-N 2 1 318.465 2.792 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@@H](C)CCCC[NH3+])cc1)C1CC1 ZINC000494691432 429143433 /nfs/dbraw/zinc/14/34/33/429143433.db2.gz PVSWXMQLLOOJJH-HNNXBMFYSA-N 2 1 317.477 2.918 20 0 DFADMP C(CC[NH+]1CCC[C@H]2OCC[C@H]21)CC[N@H+]1CCC[C@H]2OCC[C@H]21 ZINC000376680808 429157711 /nfs/dbraw/zinc/15/77/11/429157711.db2.gz OQLKJQOIERAECR-NCXUSEDFSA-N 2 1 322.493 2.663 20 0 DFADMP C[NH+]1CCN(C[C@H]2CCC[N@@H+](CC3CCCCCC3)C2)CC1 ZINC000363996838 429155740 /nfs/dbraw/zinc/15/57/40/429155740.db2.gz GCRGZZMPRQMVRK-LJQANCHMSA-N 2 1 307.526 2.916 20 0 DFADMP CC[N@@H+](CCCOc1ccc(OC)cc1)[C@H]1CCC[NH2+]CC1 ZINC000435625352 429156159 /nfs/dbraw/zinc/15/61/59/429156159.db2.gz HMJGGGRTJDVLCG-INIZCTEOSA-N 2 1 306.450 2.928 20 0 DFADMP COc1ccccc1[C@H]([NH2+]C[C@H]1C[NH2+]CCCO1)C1CCCC1 ZINC000423496376 429098274 /nfs/dbraw/zinc/09/82/74/429098274.db2.gz WRGCLNWJSGJIRB-VQIMIIECSA-N 2 1 318.461 2.895 20 0 DFADMP Cc1cc(F)c(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(F)c1 ZINC000424146005 429098299 /nfs/dbraw/zinc/09/82/99/429098299.db2.gz OQLVDNFCCBGZPO-AWEZNQCLSA-N 2 1 312.404 2.600 20 0 DFADMP CC[N@H+]1CCC[C@H]1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000424144302 429098619 /nfs/dbraw/zinc/09/86/19/429098619.db2.gz XDFFDRIIBUYCKN-SJORKVTESA-N 2 1 309.498 2.665 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424144292 429098791 /nfs/dbraw/zinc/09/87/91/429098791.db2.gz XDFFDRIIBUYCKN-DLBZAZTESA-N 2 1 309.498 2.665 20 0 DFADMP CC(C)OCCCC[NH2+][C@@H]1CC[N@@H+](C[C@@H]2CCCO2)C[C@H]1C ZINC000376361137 429099562 /nfs/dbraw/zinc/09/95/62/429099562.db2.gz RODMNRBDSBPCGU-FGTMMUONSA-N 2 1 312.498 2.671 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000424147823 429099846 /nfs/dbraw/zinc/09/98/46/429099846.db2.gz SITLIJFUVJLROY-ZWKOTPCHSA-N 2 1 323.525 2.865 20 0 DFADMP Cc1ccc(N2CCC([NH2+]Cc3cncn3C(C)C)CC2)[nH+]c1 ZINC000424148648 429101107 /nfs/dbraw/zinc/10/11/07/429101107.db2.gz USUSNQMTHXDDAI-UHFFFAOYSA-N 2 1 313.449 2.926 20 0 DFADMP C[N@H+]1CC[C@H](N[C@@H](C[NH3+])C2CCCC2)C[C@@H]1c1ccccc1 ZINC000423506199 429101101 /nfs/dbraw/zinc/10/11/01/429101101.db2.gz OWXZYIGUOVBSPY-GBESFXJTSA-N 2 1 301.478 2.929 20 0 DFADMP COc1cc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc(OC)c1OC ZINC000423505554 429102344 /nfs/dbraw/zinc/10/23/44/429102344.db2.gz HCPCQRXVBQLSGX-SNUQEOBHSA-N 2 1 322.449 2.690 20 0 DFADMP CC(C)COc1ccc([C@@H](C)[NH2+]C[C@H]2C[NH2+]CCCO2)cc1 ZINC000423513400 429103130 /nfs/dbraw/zinc/10/31/30/429103130.db2.gz LIICZYQQXPVCKS-CRAIPNDOSA-N 2 1 306.450 2.751 20 0 DFADMP CN1CC[NH2+]C[C@@H]1C[NH2+][C@H]1CCC[C@@H](c2ccc(Cl)cc2)C1 ZINC000423520747 429106813 /nfs/dbraw/zinc/10/68/13/429106813.db2.gz QFLRYDWKTJWTOC-BPQIPLTHSA-N 2 1 321.896 2.859 20 0 DFADMP CCOCCC[N@@H+](C)C[C@@H]1CCCN(CC)[C@H]1c1cnn(C)c1 ZINC000434735887 429109736 /nfs/dbraw/zinc/10/97/36/429109736.db2.gz JWVIFOPLGGBWOG-FUHWJXTLSA-N 2 1 322.497 2.552 20 0 DFADMP CCOCCC[N@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683149 429156772 /nfs/dbraw/zinc/15/67/72/429156772.db2.gz HHPCZXFISUAGQG-CQSZACIVSA-N 2 1 309.479 2.514 20 0 DFADMP CCOCCC[N@@H+](Cc1nccs1)[C@@H]1CC12CC[NH2+]CC2 ZINC000435683149 429156777 /nfs/dbraw/zinc/15/67/77/429156777.db2.gz HHPCZXFISUAGQG-CQSZACIVSA-N 2 1 309.479 2.514 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1CCc1nc3ccccc3n1C)CC[NH2+]CC2 ZINC000424297533 429121019 /nfs/dbraw/zinc/12/10/19/429121019.db2.gz SVQZDZTYJOLTDX-OAHLLOKOSA-N 2 1 312.461 2.580 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000424301080 429122123 /nfs/dbraw/zinc/12/21/23/429122123.db2.gz WWVPOPJCSOKWPB-RCCFBDPRSA-N 2 1 304.434 2.604 20 0 DFADMP CC(C)(C)OC(=O)C(C)(C)CC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000424317989 429124469 /nfs/dbraw/zinc/12/44/69/429124469.db2.gz FLRHHRMEVWDNOU-UHFFFAOYSA-N 2 1 310.482 2.961 20 0 DFADMP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130610 429124734 /nfs/dbraw/zinc/12/47/34/429124734.db2.gz SZVKNEYDGOZQDU-HNNXBMFYSA-N 2 1 314.433 2.833 20 0 DFADMP C[N@@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130610 429124739 /nfs/dbraw/zinc/12/47/39/429124739.db2.gz SZVKNEYDGOZQDU-HNNXBMFYSA-N 2 1 314.433 2.833 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130610 429124742 /nfs/dbraw/zinc/12/47/42/429124742.db2.gz SZVKNEYDGOZQDU-HNNXBMFYSA-N 2 1 314.433 2.833 20 0 DFADMP C[NH+](CC1CC1)C[C@@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C1 ZINC000435130610 429124745 /nfs/dbraw/zinc/12/47/45/429124745.db2.gz SZVKNEYDGOZQDU-HNNXBMFYSA-N 2 1 314.433 2.833 20 0 DFADMP COCCCCC[N@@H+](Cc1nccs1)[C@H]1CC12CC[NH2+]CC2 ZINC000435686499 429157126 /nfs/dbraw/zinc/15/71/26/429157126.db2.gz VNSXUJXHHKNMDR-HNNXBMFYSA-N 2 1 323.506 2.904 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1cnc([C@@H]3CCCO3)s1)CC[NH2+]CC2 ZINC000424370446 429130729 /nfs/dbraw/zinc/13/07/29/429130729.db2.gz CHURAPSMLUVGIT-HIFRSBDPSA-N 2 1 321.490 2.959 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCCC[C@H]1[NH3+])c1ccc(OCC[NH+](C)C)cc1 ZINC000424381054 429132706 /nfs/dbraw/zinc/13/27/06/429132706.db2.gz YCOMAYLULLVGFN-ZTFGCOKTSA-N 3 1 305.466 2.548 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H]2CCCC[C@H]2[NH3+])cc(OC)c1OC ZINC000424379985 429132806 /nfs/dbraw/zinc/13/28/06/429132806.db2.gz WMUMIWISIIDQNE-IACUBPJLSA-N 2 1 308.422 2.633 20 0 DFADMP CCN(C)c1ccc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)cn1 ZINC000424385253 429132910 /nfs/dbraw/zinc/13/29/10/429132910.db2.gz WETQJZNYKYIXBF-HNNXBMFYSA-N 2 1 302.466 2.502 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH2+]2)C1 ZINC000494637786 429134811 /nfs/dbraw/zinc/13/48/11/429134811.db2.gz NCSRGQGNKGXHSJ-KZNAEPCWSA-N 2 1 321.509 2.632 20 0 DFADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000363896677 429137129 /nfs/dbraw/zinc/13/71/29/429137129.db2.gz NDTNJNULRFVBET-UHFFFAOYSA-N 2 1 322.412 2.878 20 0 DFADMP CN(C)c1cc[nH+]cc1C(=O)Nc1cccc2c1C[N@H+](C1CC1)C2 ZINC000363896677 429137137 /nfs/dbraw/zinc/13/71/37/429137137.db2.gz NDTNJNULRFVBET-UHFFFAOYSA-N 2 1 322.412 2.878 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000424417347 429138096 /nfs/dbraw/zinc/13/80/96/429138096.db2.gz ACWVPGHHXHTGGI-UHFFFAOYSA-N 2 1 318.465 2.840 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435393154 429140098 /nfs/dbraw/zinc/14/00/98/429140098.db2.gz ZFZPFOABVPMMOW-INIZCTEOSA-N 2 1 311.429 2.702 20 0 DFADMP C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2OCc2cccnc2)C1 ZINC000435393154 429140106 /nfs/dbraw/zinc/14/01/06/429140106.db2.gz ZFZPFOABVPMMOW-INIZCTEOSA-N 2 1 311.429 2.702 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000424425917 429140625 /nfs/dbraw/zinc/14/06/25/429140625.db2.gz KRHKPBKMINEJSJ-AWEZNQCLSA-N 2 1 306.454 2.696 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N(C)CC[C@H]2CCCC[N@H+]2C)c1 ZINC000424443197 429140986 /nfs/dbraw/zinc/14/09/86/429140986.db2.gz ZTRHGZKDWPPPSA-QGZVFWFLSA-N 2 1 318.465 2.792 20 0 DFADMP COc1cc2c(c(C[N@H+](C)[C@H]3CCC[NH2+]CC3)c1)O[C@@H](C)C2 ZINC000435447517 429142457 /nfs/dbraw/zinc/14/24/57/429142457.db2.gz PWHMZGOMNWLFRG-BBRMVZONSA-N 2 1 304.434 2.593 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)[C@H]3CCC[NH2+]CC3)c1)O[C@@H](C)C2 ZINC000435447517 429142460 /nfs/dbraw/zinc/14/24/60/429142460.db2.gz PWHMZGOMNWLFRG-BBRMVZONSA-N 2 1 304.434 2.593 20 0 DFADMP C[C@H]1C[N@H+](C)C[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000487527294 429160028 /nfs/dbraw/zinc/16/00/28/429160028.db2.gz ZVLZRWGYNIMVTM-SMDDNHRTSA-N 2 1 309.841 2.538 20 0 DFADMP C[C@H]1C[N@@H+](C)C[C@H]1C(=O)Nc1ccc(Cl)c(C[NH+](C)C)c1 ZINC000487527294 429160031 /nfs/dbraw/zinc/16/00/31/429160031.db2.gz ZVLZRWGYNIMVTM-SMDDNHRTSA-N 2 1 309.841 2.538 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CC[N@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364034775 429160658 /nfs/dbraw/zinc/16/06/58/429160658.db2.gz HUAZCOSPJSDHKQ-RHSMWYFYSA-N 2 1 324.538 2.593 20 0 DFADMP CC[NH+](CC)CCN[C@@H]1CC[N@@H+](Cc2cnc(C)s2)C[C@H]1C ZINC000364034775 429160660 /nfs/dbraw/zinc/16/06/60/429160660.db2.gz HUAZCOSPJSDHKQ-RHSMWYFYSA-N 2 1 324.538 2.593 20 0 DFADMP Cc1cccc(NC[C@@H]2CCCN2C(=O)c2ccc(C[NH3+])cc2)[nH+]1 ZINC000364034260 429161599 /nfs/dbraw/zinc/16/15/99/429161599.db2.gz XBTVVNSYVXNKPE-KRWDZBQOSA-N 2 1 324.428 2.565 20 0 DFADMP CC[NH+](CC)CCCCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000487618621 429162513 /nfs/dbraw/zinc/16/25/13/429162513.db2.gz PBCMYLABPDSFIQ-KRWDZBQOSA-N 2 1 323.525 2.879 20 0 DFADMP CC(C)[C@H](C[NH2+][C@H]1CCC(=O)NC1(C)C)[NH+]1CCCCCC1 ZINC000494924679 429164527 /nfs/dbraw/zinc/16/45/27/429164527.db2.gz QYGMSCHCUKSUOO-HOTGVXAUSA-N 2 1 309.498 2.534 20 0 DFADMP CC[N@@H+](CCC[NH2+]C)CCOc1ccc(Br)cc1 ZINC000435879510 429170401 /nfs/dbraw/zinc/17/04/01/429170401.db2.gz KPOURFDCTLSLKV-UHFFFAOYSA-N 2 1 315.255 2.759 20 0 DFADMP c1ccc2c(c1)-c1ccccc1C2[N@H+]1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261690614 275069058 /nfs/dbraw/zinc/06/90/58/275069058.db2.gz NQAFXMGODVESCY-INIZCTEOSA-N 2 1 319.452 2.736 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495042590 429173231 /nfs/dbraw/zinc/17/32/31/429173231.db2.gz HLAJRNSXBPSKFB-JKIFEVAISA-N 2 1 303.450 2.522 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1)c1ccc(C(=O)N(C)C)cc1 ZINC000495042590 429173234 /nfs/dbraw/zinc/17/32/34/429173234.db2.gz HLAJRNSXBPSKFB-JKIFEVAISA-N 2 1 303.450 2.522 20 0 DFADMP Cc1cccc(NC[C@H]2CCC[N@H+]2C[C@@H](O)CC(F)(F)F)n1 ZINC000364287096 429176249 /nfs/dbraw/zinc/17/62/49/429176249.db2.gz ZMFPXKWKOOIRGP-OLZOCXBDSA-N 2 1 317.355 2.580 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1C ZINC000495081282 429176911 /nfs/dbraw/zinc/17/69/11/429176911.db2.gz GAJCHVFUMLPVRG-CGHHPOIWSA-N 2 1 302.462 2.504 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2CO)[C@H]1C ZINC000495081282 429176917 /nfs/dbraw/zinc/17/69/17/429176917.db2.gz GAJCHVFUMLPVRG-CGHHPOIWSA-N 2 1 302.462 2.504 20 0 DFADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364356046 429188619 /nfs/dbraw/zinc/18/86/19/429188619.db2.gz JRLWNGJKVUDDQR-SGMGOOAPSA-N 2 1 322.250 2.765 20 0 DFADMP Brc1c[nH+]ccc1N1C[C@@H]2C[N@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000364356046 429188622 /nfs/dbraw/zinc/18/86/22/429188622.db2.gz JRLWNGJKVUDDQR-SGMGOOAPSA-N 2 1 322.250 2.765 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@@H]1NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000436297774 429195872 /nfs/dbraw/zinc/19/58/72/429195872.db2.gz NXPUSLGUIHFJMD-LZQZEXGQSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436297774 429195874 /nfs/dbraw/zinc/19/58/74/429195874.db2.gz NXPUSLGUIHFJMD-LZQZEXGQSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1C[NH+](C2CC2)C[C@@H]1NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297774 429195876 /nfs/dbraw/zinc/19/58/76/429195876.db2.gz NXPUSLGUIHFJMD-LZQZEXGQSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000436297774 429195879 /nfs/dbraw/zinc/19/58/79/429195879.db2.gz NXPUSLGUIHFJMD-LZQZEXGQSA-N 2 1 305.510 2.856 20 0 DFADMP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000436297774 429195881 /nfs/dbraw/zinc/19/58/81/429195881.db2.gz NXPUSLGUIHFJMD-LZQZEXGQSA-N 2 1 305.510 2.856 20 0 DFADMP C/C(=C/c1ccccc1)C[NH2+]CCCC[N@H+]1CCC[C@@H]1CO ZINC000111386706 275398855 /nfs/dbraw/zinc/39/88/55/275398855.db2.gz SUBBQBSWMXKIEO-RBAUTDOXSA-N 2 1 302.462 2.916 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]C1CC(O)(Cc2cccc(F)c2)C1 ZINC000364477543 429210995 /nfs/dbraw/zinc/21/09/95/429210995.db2.gz ANJTVNHDKHGORZ-RRYUZERASA-N 2 1 320.452 2.580 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495311100 429197658 /nfs/dbraw/zinc/19/76/58/429197658.db2.gz BFJUGQQFTDOKHG-AWEZNQCLSA-N 2 1 313.486 2.563 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495311100 429197660 /nfs/dbraw/zinc/19/76/60/429197660.db2.gz BFJUGQQFTDOKHG-AWEZNQCLSA-N 2 1 313.486 2.563 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495311100 429197662 /nfs/dbraw/zinc/19/76/62/429197662.db2.gz BFJUGQQFTDOKHG-AWEZNQCLSA-N 2 1 313.486 2.563 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](CC(C)(C)NC(=O)OC(C)(C)C)C1 ZINC000495311100 429197665 /nfs/dbraw/zinc/19/76/65/429197665.db2.gz BFJUGQQFTDOKHG-AWEZNQCLSA-N 2 1 313.486 2.563 20 0 DFADMP c1ncc(C[NH+]2CCC3(CC[N@@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000364440010 429204802 /nfs/dbraw/zinc/20/48/02/429204802.db2.gz NXQLCCCQUJTMSF-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP c1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)[nH]1 ZINC000364440010 429204806 /nfs/dbraw/zinc/20/48/06/429204806.db2.gz NXQLCCCQUJTMSF-UHFFFAOYSA-N 2 1 310.445 2.898 20 0 DFADMP CCC[N@@H+](C)CC(=O)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC000488896610 429205092 /nfs/dbraw/zinc/20/50/92/429205092.db2.gz LDCCLRLNIJFFNZ-UHFFFAOYSA-N 2 1 309.498 2.585 20 0 DFADMP O=C1O[C@@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC12CCC2 ZINC000365234694 429284123 /nfs/dbraw/zinc/28/41/23/429284123.db2.gz PJWLOFXRIOJVMG-IAGOWNOFSA-N 2 1 320.477 2.670 20 0 DFADMP O=C1O[C@@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCC3)C2)CC12CCC2 ZINC000365234694 429284128 /nfs/dbraw/zinc/28/41/28/429284128.db2.gz PJWLOFXRIOJVMG-IAGOWNOFSA-N 2 1 320.477 2.670 20 0 DFADMP C[C@@H]1C[C@H](C[NH3+])C[N@H+]1CCOc1ccc(OC(F)(F)F)cc1 ZINC000442769163 429234818 /nfs/dbraw/zinc/23/48/18/429234818.db2.gz MYJUBQXQMJLUFP-VXGBXAGGSA-N 2 1 318.339 2.633 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c(C(C)(C)C)n1 ZINC000364669941 429246129 /nfs/dbraw/zinc/24/61/29/429246129.db2.gz GBOUWZITOIHLDR-AWEZNQCLSA-N 2 1 315.465 2.609 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)c(C(C)(C)C)n1 ZINC000364669941 429246135 /nfs/dbraw/zinc/24/61/35/429246135.db2.gz GBOUWZITOIHLDR-AWEZNQCLSA-N 2 1 315.465 2.609 20 0 DFADMP COCC[N@H+](C)CCCNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000443428405 429249507 /nfs/dbraw/zinc/24/95/07/429249507.db2.gz IQTGQFPRLBEGQT-UHFFFAOYSA-N 2 1 317.433 2.932 20 0 DFADMP COCC[N@@H+](C)CCCNc1cc(C)[nH+]c2c(OC)cccc12 ZINC000443428405 429249512 /nfs/dbraw/zinc/24/95/12/429249512.db2.gz IQTGQFPRLBEGQT-UHFFFAOYSA-N 2 1 317.433 2.932 20 0 DFADMP c1cc2c(ncnc2N2C[C@H]3CC[N@H+](Cc4ccccc4)[C@H]3C2)[nH]1 ZINC000425274657 429256343 /nfs/dbraw/zinc/25/63/43/429256343.db2.gz LUIFBVYWPTXLFH-WBVHZDCISA-N 2 1 319.412 2.669 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000495745417 429257727 /nfs/dbraw/zinc/25/77/27/429257727.db2.gz ALENDGOGJFXORC-INIZCTEOSA-N 2 1 322.453 2.524 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCCC[C@H]1COC(=O)N(C)C ZINC000495745417 429257731 /nfs/dbraw/zinc/25/77/31/429257731.db2.gz ALENDGOGJFXORC-INIZCTEOSA-N 2 1 322.453 2.524 20 0 DFADMP Cc1cc(F)c(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)c(F)c1 ZINC000425322214 429264928 /nfs/dbraw/zinc/26/49/28/429264928.db2.gz HAOSXPSFQMSUCD-UHFFFAOYSA-N 2 1 324.415 2.817 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)NCC[C@H]2CCC[NH2+]2)cc1 ZINC000444260578 429268046 /nfs/dbraw/zinc/26/80/46/429268046.db2.gz SLEQHVSAEGNHLR-GOSISDBHSA-N 2 1 317.477 2.790 20 0 DFADMP C[C@H]1C[C@@H](C(=O)Nc2ccc3c(c2)CC[C@H]3[NH+](C)C)CC[N@H+]1C ZINC000456305337 429273658 /nfs/dbraw/zinc/27/36/58/429273658.db2.gz HXPAYKUHNRLFGX-DHSIGJKJSA-N 2 1 315.461 2.904 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc2c(c1)OCCCCO2 ZINC000449088002 429329053 /nfs/dbraw/zinc/32/90/53/429329053.db2.gz HITOZXIUTMBLAT-UHFFFAOYSA-N 2 1 315.417 2.923 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)C1 ZINC000449123123 429338556 /nfs/dbraw/zinc/33/85/56/429338556.db2.gz MQXONEFYIJQIRI-CABCVRRESA-N 2 1 320.481 2.633 20 0 DFADMP CCOC(=O)c1cc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)[nH]c1C ZINC000449142400 429342199 /nfs/dbraw/zinc/34/21/99/429342199.db2.gz OBIMAWXKMSJGJS-MRXNPFEDSA-N 2 1 323.481 2.956 20 0 DFADMP COC(=O)[C@H](CC[N@@H+](C)C[C@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000425424209 429292434 /nfs/dbraw/zinc/29/24/34/429292434.db2.gz VZWUYMMOSBAECN-FUHWJXTLSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)C[C@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000425424209 429292438 /nfs/dbraw/zinc/29/24/38/429292438.db2.gz VZWUYMMOSBAECN-FUHWJXTLSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@H](CC[NH+](C)C[C@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000425424209 429292442 /nfs/dbraw/zinc/29/24/42/429292442.db2.gz VZWUYMMOSBAECN-FUHWJXTLSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@@H](CC[N@@H+](C)C[C@@H]1CCC[NH+](C)C1)c1ccccc1 ZINC000425424207 429293333 /nfs/dbraw/zinc/29/33/33/429293333.db2.gz VZWUYMMOSBAECN-AEFFLSMTSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@@H](CC[NH+](C)C[C@@H]1CCC[N@H+](C)C1)c1ccccc1 ZINC000425424207 429293338 /nfs/dbraw/zinc/29/33/38/429293338.db2.gz VZWUYMMOSBAECN-AEFFLSMTSA-N 2 1 318.461 2.607 20 0 DFADMP COC(=O)[C@@H](CC[NH+](C)C[C@@H]1CCC[N@@H+](C)C1)c1ccccc1 ZINC000425424207 429293342 /nfs/dbraw/zinc/29/33/42/429293342.db2.gz VZWUYMMOSBAECN-AEFFLSMTSA-N 2 1 318.461 2.607 20 0 DFADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1)C1CCC1 ZINC000449161461 429347263 /nfs/dbraw/zinc/34/72/63/429347263.db2.gz FQSCSRAPJOZFIL-OALUTQOASA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@H]([NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1)C1CCC1 ZINC000449161461 429347265 /nfs/dbraw/zinc/34/72/65/429347265.db2.gz FQSCSRAPJOZFIL-OALUTQOASA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449336669 429391269 /nfs/dbraw/zinc/39/12/69/429391269.db2.gz OGFGLVLOSQSHNF-OWCLPIDISA-N 2 1 309.498 2.521 20 0 DFADMP CCc1[nH+]ccn1[C@@H]1CCCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC000449349630 429396210 /nfs/dbraw/zinc/39/62/10/429396210.db2.gz SARLUKXELMJMLR-ARFHVFGLSA-N 2 1 318.465 2.517 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000457084828 429396801 /nfs/dbraw/zinc/39/68/01/429396801.db2.gz GWFOMZCMFNLKFK-QZTJIDSGSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000457084828 429396805 /nfs/dbraw/zinc/39/68/05/429396805.db2.gz GWFOMZCMFNLKFK-QZTJIDSGSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)[NH+]1CC[C@@H](N(C)C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000457084828 429396807 /nfs/dbraw/zinc/39/68/07/429396807.db2.gz GWFOMZCMFNLKFK-QZTJIDSGSA-N 2 1 321.509 2.725 20 0 DFADMP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)C(F)F)CC1 ZINC000449169102 429348735 /nfs/dbraw/zinc/34/87/35/429348735.db2.gz GCOAIULEZBHNJS-ZDUSSCGKSA-N 2 1 306.441 2.881 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@@H+]2CC(C)C)CC1 ZINC000426015094 429358660 /nfs/dbraw/zinc/35/86/60/429358660.db2.gz FIVCPOJKMZTRCP-JCYILVPMSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C1CCC([NH2+]C[C@@H]2CCCC[N@H+]2CC(C)C)CC1 ZINC000426015094 429358663 /nfs/dbraw/zinc/35/86/63/429358663.db2.gz FIVCPOJKMZTRCP-JCYILVPMSA-N 2 1 310.482 2.818 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)N1CCc2ccccc21 ZINC000513689415 429362743 /nfs/dbraw/zinc/36/27/43/429362743.db2.gz BVIZAKQYGVEEDM-QEEHTWDDSA-N 2 1 313.489 2.900 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3cn[nH]c3C2)CC1 ZINC000513336709 429363087 /nfs/dbraw/zinc/36/30/87/429363087.db2.gz ZQJOAINFGOGLAJ-BJZITVGISA-N 2 1 316.493 2.900 20 0 DFADMP Cc1cccc(N2CCC([NH2+][C@H]3[C@@H]4CCO[C@@H]4C3(C)C)CC2)[nH+]1 ZINC000365731196 429363681 /nfs/dbraw/zinc/36/36/81/429363681.db2.gz BSIUBAXGQCJSCB-SZMVWBNQSA-N 2 1 315.461 2.762 20 0 DFADMP CC(C)[C@@H](CO)[C@@H]([NH2+]Cc1ncc(C[NH+](C)C)s1)C(C)C ZINC000449506653 429438614 /nfs/dbraw/zinc/43/86/14/429438614.db2.gz CUPJSAXKSJBCRN-ZBFHGGJFSA-N 2 1 313.511 2.583 20 0 DFADMP COc1cc2c(cc1C[NH2+]CC[C@H]1CCC[N@@H+](C)C1)O[C@H](C)C2 ZINC000518924320 429439862 /nfs/dbraw/zinc/43/98/62/429439862.db2.gz CIYNBORRGXRONJ-HUUCEWRRSA-N 2 1 318.461 2.840 20 0 DFADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)CCS2 ZINC000427618107 429459572 /nfs/dbraw/zinc/45/95/72/429459572.db2.gz MGAFSBUQGABENP-RDJZCZTQSA-N 2 1 320.502 2.887 20 0 DFADMP CCC1(C[NH2+][C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)COC1 ZINC000449602453 429460264 /nfs/dbraw/zinc/46/02/64/429460264.db2.gz DHTRLDGDIDSUMQ-SJLPKXTDSA-N 2 1 302.462 2.913 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCc3ccccc3C2)cc1 ZINC000449622788 429463204 /nfs/dbraw/zinc/46/32/04/429463204.db2.gz FWYCYMJQJWUSKX-OAHLLOKOSA-N 2 1 323.440 2.791 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCc3ccccc3C2)cc1 ZINC000449622788 429463209 /nfs/dbraw/zinc/46/32/09/429463209.db2.gz FWYCYMJQJWUSKX-OAHLLOKOSA-N 2 1 323.440 2.791 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366490184 429463423 /nfs/dbraw/zinc/46/34/23/429463423.db2.gz NNKJDIJGIYGTHD-HNAYVOBHSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366490184 429463428 /nfs/dbraw/zinc/46/34/28/429463428.db2.gz NNKJDIJGIYGTHD-HNAYVOBHSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)[N@H+]1CC[C@@]2(CC[NH+](C)C2)C1 ZINC000366490184 429463432 /nfs/dbraw/zinc/46/34/32/429463432.db2.gz NNKJDIJGIYGTHD-HNAYVOBHSA-N 2 1 316.445 2.937 20 0 DFADMP C[C@@H](c1ccc2c(c1)OCCCO2)[NH+]1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000366490184 429463435 /nfs/dbraw/zinc/46/34/35/429463435.db2.gz NNKJDIJGIYGTHD-HNAYVOBHSA-N 2 1 316.445 2.937 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(Cc3cc(Cl)cc4c3OCOC4)C2)C1 ZINC000366494863 429463580 /nfs/dbraw/zinc/46/35/80/429463580.db2.gz FEVUHGCZQHWPRS-QGZVFWFLSA-N 2 1 322.836 2.734 20 0 DFADMP Cn1cc(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c(C2CCCCC2)n1 ZINC000366492223 429463618 /nfs/dbraw/zinc/46/36/18/429463618.db2.gz UTJQRLAKHYGXNC-IBGZPJMESA-N 2 1 316.493 2.995 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000426781055 429416364 /nfs/dbraw/zinc/41/63/64/429416364.db2.gz XRLXELRDGNFLBR-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC000426789143 429418035 /nfs/dbraw/zinc/41/80/35/429418035.db2.gz SAEKNZULDDACOG-IRXDYDNUSA-N 2 1 323.525 2.830 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000427119880 429432216 /nfs/dbraw/zinc/43/22/16/429432216.db2.gz NNCWDPKVUJYDOZ-RTBURBONSA-N 2 1 315.505 2.828 20 0 DFADMP c1ccc(COc2ccc(C[N@@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)nc1 ZINC000427106694 429433057 /nfs/dbraw/zinc/43/30/57/429433057.db2.gz GCTMXXNZQLGQFL-XLIONFOSSA-N 2 1 323.440 2.844 20 0 DFADMP c1ccc(COc2ccc(C[N@H+]3CC[C@@H]4[NH2+]CC[C@@H]4C3)cc2)nc1 ZINC000427106694 429433061 /nfs/dbraw/zinc/43/30/61/429433061.db2.gz GCTMXXNZQLGQFL-XLIONFOSSA-N 2 1 323.440 2.844 20 0 DFADMP CO[C@H](C)[C@@H](C)[NH2+]CC1CC[NH+](Cc2csc(C)n2)CC1 ZINC000366218140 429434560 /nfs/dbraw/zinc/43/45/60/429434560.db2.gz KHSIFUJZICZUDK-CHWSQXEVSA-N 2 1 311.495 2.677 20 0 DFADMP CC(C)[N@H+](C)CC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000520662530 429525948 /nfs/dbraw/zinc/52/59/48/429525948.db2.gz OLMGDIRTMQHGLX-UHFFFAOYSA-N 2 1 318.421 2.882 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2nc(-c3ccoc3)no2)CC1 ZINC000520662530 429525951 /nfs/dbraw/zinc/52/59/51/429525951.db2.gz OLMGDIRTMQHGLX-UHFFFAOYSA-N 2 1 318.421 2.882 20 0 DFADMP FC(F)(F)c1cnc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000366859593 429527349 /nfs/dbraw/zinc/52/73/49/429527349.db2.gz YJIURMBTBSPZPH-SECBINFHSA-N 2 1 316.352 2.711 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NCCC[C@@H]1CCC[NH2+]1)c1cccc(Cl)c1 ZINC000449686575 429478945 /nfs/dbraw/zinc/47/89/45/429478945.db2.gz XHUYRUCKUSCQRX-JKSUJKDBSA-N 2 1 323.868 2.591 20 0 DFADMP O=C(CC[N@@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cccc2ccccc21 ZINC000428037930 429485910 /nfs/dbraw/zinc/48/59/10/429485910.db2.gz VSVIIEQVKXORBK-AEFFLSMTSA-N 2 1 323.440 2.852 20 0 DFADMP O=C(CC[N@H+]1CC[C@@H]2[NH2+]CC[C@@H]2C1)Nc1cccc2ccccc21 ZINC000428037930 429485914 /nfs/dbraw/zinc/48/59/14/429485914.db2.gz VSVIIEQVKXORBK-AEFFLSMTSA-N 2 1 323.440 2.852 20 0 DFADMP Cc1cc(C)n(-c2ccc(C[N@H+]3CC[C@H]4[NH2+]CC[C@@H]4C3)cc2)n1 ZINC000428041063 429486203 /nfs/dbraw/zinc/48/62/03/429486203.db2.gz NLRAECARMOILHD-IEBWSBKVSA-N 2 1 310.445 2.673 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000366604151 429486594 /nfs/dbraw/zinc/48/65/94/429486594.db2.gz RXEARFGBGSPKRM-ZWKOTPCHSA-N 2 1 304.478 2.894 20 0 DFADMP CC(C)[C@@H](O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)CC1(C)C ZINC000366604151 429486596 /nfs/dbraw/zinc/48/65/96/429486596.db2.gz RXEARFGBGSPKRM-ZWKOTPCHSA-N 2 1 304.478 2.894 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)cc1)C1CC1 ZINC000449722338 429488147 /nfs/dbraw/zinc/48/81/47/429488147.db2.gz KPJZHPOGGLTHHZ-RDJZCZTQSA-N 2 1 315.461 2.528 20 0 DFADMP C[C@@H](CCO)[N@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000521639935 429559965 /nfs/dbraw/zinc/55/99/65/429559965.db2.gz QLCWPVBRKJFMMD-INIZCTEOSA-N 2 1 301.434 2.626 20 0 DFADMP C[C@@H](CCO)[N@@H+](CCCc1c[nH+]cn1C)Cc1ccccc1 ZINC000521639935 429559971 /nfs/dbraw/zinc/55/99/71/429559971.db2.gz QLCWPVBRKJFMMD-INIZCTEOSA-N 2 1 301.434 2.626 20 0 DFADMP CC[NH2+]CCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1Cl ZINC000521858919 429565332 /nfs/dbraw/zinc/56/53/32/429565332.db2.gz BGLAENASXAOVHQ-LBPRGKRZSA-N 2 1 307.829 2.571 20 0 DFADMP CC(C)(C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1cccc(F)c1 ZINC000261959172 275861013 /nfs/dbraw/zinc/86/10/13/275861013.db2.gz PIFHBTDVLNUSEE-RCCFBDPRSA-N 2 1 320.452 2.850 20 0 DFADMP C[N@H+]1CC[C@@]2(CCN(CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024777 429573621 /nfs/dbraw/zinc/57/36/21/429573621.db2.gz HIHAITPQNRBOCG-MRXNPFEDSA-N 2 1 312.816 2.886 20 0 DFADMP C[N@@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024777 429573624 /nfs/dbraw/zinc/57/36/24/429573624.db2.gz HIHAITPQNRBOCG-MRXNPFEDSA-N 2 1 312.816 2.886 20 0 DFADMP C[N@H+]1CC[C@@]2(CC[NH+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024777 429573629 /nfs/dbraw/zinc/57/36/29/429573629.db2.gz HIHAITPQNRBOCG-MRXNPFEDSA-N 2 1 312.816 2.886 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024777 429573632 /nfs/dbraw/zinc/57/36/32/429573632.db2.gz HIHAITPQNRBOCG-MRXNPFEDSA-N 2 1 312.816 2.886 20 0 DFADMP C[NH+]1CC[C@@]2(CC[N@@H+](CCOc3ccc(Cl)c(F)c3)C2)C1 ZINC000429024777 429573638 /nfs/dbraw/zinc/57/36/38/429573638.db2.gz HIHAITPQNRBOCG-MRXNPFEDSA-N 2 1 312.816 2.886 20 0 DFADMP C[N@@H+]1CC[C@]2(CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000429035179 429575814 /nfs/dbraw/zinc/57/58/14/429575814.db2.gz LCSVTRKMMMWHRF-IBGZPJMESA-N 2 1 300.446 2.928 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000429035179 429575819 /nfs/dbraw/zinc/57/58/19/429575819.db2.gz LCSVTRKMMMWHRF-IBGZPJMESA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000429035179 429575823 /nfs/dbraw/zinc/57/58/23/429575823.db2.gz LCSVTRKMMMWHRF-IBGZPJMESA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](Cc3cccc4c3OC(C)(C)C4)C2)C1 ZINC000429035179 429575828 /nfs/dbraw/zinc/57/58/28/429575828.db2.gz LCSVTRKMMMWHRF-IBGZPJMESA-N 2 1 300.446 2.928 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCc3ccccc3)C2)CC1 ZINC000367110052 429581590 /nfs/dbraw/zinc/58/15/90/429581590.db2.gz LHRUBZDERIWNEI-HXUWFJFHSA-N 2 1 315.505 2.579 20 0 DFADMP Cc1oc2ccccc2c1C[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000521068443 429537890 /nfs/dbraw/zinc/53/78/90/429537890.db2.gz YXTUACGZWLCIOJ-UHFFFAOYSA-N 2 1 302.418 2.678 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](Cc2cnccn2)CC1 ZINC000521204828 429541318 /nfs/dbraw/zinc/54/13/18/429541318.db2.gz XHXPGJCAFTXVCT-MRXNPFEDSA-N 2 1 302.466 2.953 20 0 DFADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000492816127 429621940 /nfs/dbraw/zinc/62/19/40/429621940.db2.gz LDFCBJQUYJOXDY-DFGXFYAUSA-N 2 1 318.465 2.510 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000450427806 429624489 /nfs/dbraw/zinc/62/44/89/429624489.db2.gz GJBREPLAHYBAQG-LMMKCTJWSA-N 2 1 302.462 2.569 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@@H](C)O)C[C@@H]3C)c2c1 ZINC000450452764 429629847 /nfs/dbraw/zinc/62/98/47/429629847.db2.gz ICFLXICAEWGFFC-LSDHHAIUSA-N 2 1 313.445 2.689 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C(C)=O)cc2)C1 ZINC000450456807 429630718 /nfs/dbraw/zinc/63/07/18/429630718.db2.gz ULXANWLROLLOBC-IBGZPJMESA-N 2 1 318.461 2.822 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450456405 429632161 /nfs/dbraw/zinc/63/21/61/429632161.db2.gz SRKAJSGGDRGTBA-UXHICEINSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000450456405 429632165 /nfs/dbraw/zinc/63/21/65/429632165.db2.gz SRKAJSGGDRGTBA-UXHICEINSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000450456405 429632170 /nfs/dbraw/zinc/63/21/70/429632170.db2.gz SRKAJSGGDRGTBA-UXHICEINSA-N 2 1 316.489 2.908 20 0 DFADMP CCc1cc(N2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)cc[nH+]1 ZINC000450463614 429634372 /nfs/dbraw/zinc/63/43/72/429634372.db2.gz QPQCPWORHQVMOW-QGZVFWFLSA-N 2 1 310.445 2.997 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC[NH+](C)Cc2ccccc2)C[C@@H]1C ZINC000450465272 429634410 /nfs/dbraw/zinc/63/44/10/429634410.db2.gz DUYGNCQERDBMGW-HKUYNNGSSA-N 2 1 303.494 2.923 20 0 DFADMP CC[NH+]1CC[C@H](N(C)CC[N@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000450465272 429634414 /nfs/dbraw/zinc/63/44/14/429634414.db2.gz DUYGNCQERDBMGW-HKUYNNGSSA-N 2 1 303.494 2.923 20 0 DFADMP CC[NH+]1CC[C@H](N(C)CC[N@@H+](C)Cc2ccccc2)C[C@@H]1C ZINC000450465272 429634416 /nfs/dbraw/zinc/63/44/16/429634416.db2.gz DUYGNCQERDBMGW-HKUYNNGSSA-N 2 1 303.494 2.923 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(C)cc2F)[C@@H](C)C1 ZINC000429809159 429634926 /nfs/dbraw/zinc/63/49/26/429634926.db2.gz QVFVDWKEIVPTJA-WMLDXEAASA-N 2 1 321.440 2.735 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000367402131 429639780 /nfs/dbraw/zinc/63/97/80/429639780.db2.gz POCZSOSPUXEGRR-RISCZKNCSA-N 2 1 301.365 2.623 20 0 DFADMP c1ccc2[nH]c(NC[C@H]3CCC[N@@H+](Cc4cccnc4)C3)nc2c1 ZINC000367167898 429590333 /nfs/dbraw/zinc/59/03/33/429590333.db2.gz KELOUUVDKVKKJY-MRXNPFEDSA-N 2 1 321.428 2.704 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCCCC2(F)F)CC1 ZINC000450362506 429608148 /nfs/dbraw/zinc/60/81/48/429608148.db2.gz GHWXHIDMIVAGLA-GDBMZVCRSA-N 2 1 318.452 2.837 20 0 DFADMP OC[C@H](CC(F)F)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000429453800 429609222 /nfs/dbraw/zinc/60/92/22/429609222.db2.gz RWLPWJIGNWXAQO-MWDXBVQZSA-N 2 1 324.415 2.503 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCCCC2(F)F)CC1 ZINC000450362509 429610130 /nfs/dbraw/zinc/61/01/30/429610130.db2.gz GHWXHIDMIVAGLA-ZBFHGGJFSA-N 2 1 318.452 2.837 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](CC3CCC(C)(C)CC3)CC2)C1 ZINC000367472273 429658232 /nfs/dbraw/zinc/65/82/32/429658232.db2.gz HNPGRNNZSHUDSJ-GOSISDBHSA-N 2 1 307.526 2.915 20 0 DFADMP CN(CC[N@@H+](C)C[C@H]1CCCCC1(F)F)C1CC[NH+](C)CC1 ZINC000450624460 429664360 /nfs/dbraw/zinc/66/43/60/429664360.db2.gz AQHUXIUFIYLRAP-OAHLLOKOSA-N 2 1 317.468 2.770 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450642148 429668210 /nfs/dbraw/zinc/66/82/10/429668210.db2.gz HAOYAPQLXDKVKA-GOSISDBHSA-N 2 1 302.462 2.804 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H]1CC[N@@H+](C)[C@H]1c1ccccc1 ZINC000355232872 276044283 /nfs/dbraw/zinc/04/42/83/276044283.db2.gz HJXUQNZMEHHWKU-SQNIBIBYSA-N 2 1 317.477 2.715 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000450590054 429654166 /nfs/dbraw/zinc/65/41/66/429654166.db2.gz HTGUUKSVQQCDCA-RWQQGDIJSA-N 2 1 313.445 2.931 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=[NH2+])N2CCC(C)CC2)c1 ZINC000303258593 276075569 /nfs/dbraw/zinc/07/55/69/276075569.db2.gz LAVXWZDUDDYVEF-UHFFFAOYSA-N 2 1 302.466 2.895 20 0 DFADMP C[C@@H](c1csnn1)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000450648389 429671291 /nfs/dbraw/zinc/67/12/91/429671291.db2.gz YIFXQFJBVLUCFQ-ZDUSSCGKSA-N 2 1 317.462 2.843 20 0 DFADMP CC[N@H+](CCC1CC[NH+](Cc2cnns2)CC1)CC1CC1 ZINC000450652356 429671438 /nfs/dbraw/zinc/67/14/38/429671438.db2.gz NFZABZNUCOWPDN-UHFFFAOYSA-N 2 1 308.495 2.872 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2cnns2)CC1)CC1CC1 ZINC000450652356 429671442 /nfs/dbraw/zinc/67/14/42/429671442.db2.gz NFZABZNUCOWPDN-UHFFFAOYSA-N 2 1 308.495 2.872 20 0 DFADMP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)C1 ZINC000365665251 276185479 /nfs/dbraw/zinc/18/54/79/276185479.db2.gz FHELSSZFIBMOPX-QXAKKESOSA-N 2 1 305.510 2.691 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H](C)C2CCSCC2)CC1 ZINC000186999441 276194743 /nfs/dbraw/zinc/19/47/43/276194743.db2.gz VUSXSYBXEUMTES-MRXNPFEDSA-N 2 1 313.555 2.525 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]C[C@@H]2C(C)=CCC[C@@H]2C)CC1 ZINC000133992860 276194802 /nfs/dbraw/zinc/19/48/02/276194802.db2.gz RQOJAEWRLQIWLE-RBUKOAKNSA-N 2 1 307.526 2.986 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000247401338 276198648 /nfs/dbraw/zinc/19/86/48/276198648.db2.gz XJNNYXLWTGPBCF-MJGOQNOKSA-N 2 1 317.452 2.525 20 0 DFADMP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000367603081 429682182 /nfs/dbraw/zinc/68/21/82/429682182.db2.gz YDYUWZPMVCUIIX-BHIYHBOVSA-N 3 1 319.468 2.850 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000367603081 429682187 /nfs/dbraw/zinc/68/21/87/429682187.db2.gz YDYUWZPMVCUIIX-BHIYHBOVSA-N 2 1 319.468 2.850 20 0 DFADMP CN(C)Cc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)ccc1F ZINC000367603081 429682190 /nfs/dbraw/zinc/68/21/90/429682190.db2.gz YDYUWZPMVCUIIX-BHIYHBOVSA-N 2 1 319.468 2.850 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCC3=O)cc2)[C@H](C)C1 ZINC000163882600 276230313 /nfs/dbraw/zinc/23/03/13/276230313.db2.gz XIVJWKAKKXBLTP-QAPCUYQASA-N 2 1 315.461 2.633 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430541449 429690138 /nfs/dbraw/zinc/69/01/38/429690138.db2.gz ISSMXOYGEZFUGB-NXHRZFHOSA-N 2 1 317.477 2.655 20 0 DFADMP CCN(CC)C(=O)[C@H](c1ccccc1)[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000430541449 429690140 /nfs/dbraw/zinc/69/01/40/429690140.db2.gz ISSMXOYGEZFUGB-NXHRZFHOSA-N 2 1 317.477 2.655 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000353929419 276273046 /nfs/dbraw/zinc/27/30/46/276273046.db2.gz MECBSLUZHDPIBG-NDUQDZPOSA-N 2 1 308.466 2.715 20 0 DFADMP C[NH+](C)Cc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367623256 429687351 /nfs/dbraw/zinc/68/73/51/429687351.db2.gz VJILDOXWKVEMTE-GUDVDZBRSA-N 3 1 301.478 2.711 20 0 DFADMP CN1CC[C@@H]([NH2+]Cc2cccc(C[NH+](C)C)c2)[C@H]2CCC[C@H]21 ZINC000367623256 429687355 /nfs/dbraw/zinc/68/73/55/429687355.db2.gz VJILDOXWKVEMTE-GUDVDZBRSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367623256 429687356 /nfs/dbraw/zinc/68/73/56/429687356.db2.gz VJILDOXWKVEMTE-GUDVDZBRSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+](C)Cc1cccc(CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367623256 429687361 /nfs/dbraw/zinc/68/73/61/429687361.db2.gz VJILDOXWKVEMTE-GUDVDZBRSA-N 2 1 301.478 2.711 20 0 DFADMP C[NH+]1CCN(C[C@@H]2CCC[N@@H+](CCCCC(F)(F)F)C2)CC1 ZINC000367622082 429687712 /nfs/dbraw/zinc/68/77/12/429687712.db2.gz FCKDOSKJSVKAFQ-OAHLLOKOSA-N 2 1 321.431 2.678 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H]2CCc2ccccc2)n1 ZINC000430593057 429698496 /nfs/dbraw/zinc/69/84/96/429698496.db2.gz RYFUCIOTMVKJKY-OAHLLOKOSA-N 2 1 314.433 2.861 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@]2(C)[NH3+])c1 ZINC000262896429 276308467 /nfs/dbraw/zinc/30/84/67/276308467.db2.gz DCQFWTRDFZZNNA-IEBWSBKVSA-N 2 1 317.477 2.662 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@H+](C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000430574971 429694437 /nfs/dbraw/zinc/69/44/37/429694437.db2.gz PLBNEUBMRHTLNM-NUJGCVRESA-N 2 1 319.493 2.600 20 0 DFADMP CC(C)[C@@H]([NH3+])CC[N@@H+](C)[C@H](C)C(=O)NC[C@@H](C)c1ccccc1 ZINC000430574971 429694441 /nfs/dbraw/zinc/69/44/41/429694441.db2.gz PLBNEUBMRHTLNM-NUJGCVRESA-N 2 1 319.493 2.600 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430586170 429696274 /nfs/dbraw/zinc/69/62/74/429696274.db2.gz YDONBBXQOIJSKP-RYRKJORJSA-N 2 1 317.477 2.540 20 0 DFADMP Cc1ccc([C@H](C)NC(=O)C[N@@H+]2CCC[C@H]([C@@H](C)[NH3+])C2)cc1C ZINC000430586170 429696279 /nfs/dbraw/zinc/69/62/79/429696279.db2.gz YDONBBXQOIJSKP-RYRKJORJSA-N 2 1 317.477 2.540 20 0 DFADMP Cc1cc(C)cc(C[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)c1 ZINC000367662129 429696700 /nfs/dbraw/zinc/69/67/00/429696700.db2.gz UUAQHBZODYDNHI-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP COC[C@@H](C)C[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000526120455 429704103 /nfs/dbraw/zinc/70/41/03/429704103.db2.gz OOOWFOXFKMHYBW-GJZGRUSLSA-N 2 1 323.506 2.712 20 0 DFADMP COC[C@@H](C)C[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000526120455 429704106 /nfs/dbraw/zinc/70/41/06/429704106.db2.gz OOOWFOXFKMHYBW-GJZGRUSLSA-N 2 1 323.506 2.712 20 0 DFADMP C[NH2+]C[C@@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2SC)C1 ZINC000430641951 429704782 /nfs/dbraw/zinc/70/47/82/429704782.db2.gz JQQYYSAAWLCWSU-AWEZNQCLSA-N 2 1 321.490 2.669 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](C)[C@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430748238 429714683 /nfs/dbraw/zinc/71/46/83/429714683.db2.gz PNUOWNIULKBGAC-CVYDXHPNSA-N 2 1 317.477 2.702 20 0 DFADMP C[NH2+]C[C@H]1CC[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430948793 429726763 /nfs/dbraw/zinc/72/67/63/429726763.db2.gz LMZJUHVSVQJUIX-QGZVFWFLSA-N 2 1 323.440 2.980 20 0 DFADMP C[NH2+]C[C@H]1CC[N@@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)C1 ZINC000430948793 429726768 /nfs/dbraw/zinc/72/67/68/429726768.db2.gz LMZJUHVSVQJUIX-QGZVFWFLSA-N 2 1 323.440 2.980 20 0 DFADMP [NH3+]C[C@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430938043 429728170 /nfs/dbraw/zinc/72/81/70/429728170.db2.gz GRXBSIFLZWTZFH-MRXNPFEDSA-N 2 1 309.413 2.720 20 0 DFADMP [NH3+]C[C@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430938043 429728175 /nfs/dbraw/zinc/72/81/75/429728175.db2.gz GRXBSIFLZWTZFH-MRXNPFEDSA-N 2 1 309.413 2.720 20 0 DFADMP CN1CCC([NH+]2CCC(CC[N@@H+](C)CC3CCC3)CC2)CC1 ZINC000430954867 429728640 /nfs/dbraw/zinc/72/86/40/429728640.db2.gz XTNCTTHSRZLUQS-UHFFFAOYSA-N 2 1 307.526 2.915 20 0 DFADMP C[N@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCC1 ZINC000430954867 429728643 /nfs/dbraw/zinc/72/86/43/429728643.db2.gz XTNCTTHSRZLUQS-UHFFFAOYSA-N 3 1 307.526 2.915 20 0 DFADMP C[N@@H+](CCC1CC[NH+](C2CC[NH+](C)CC2)CC1)CC1CCC1 ZINC000430954867 429728649 /nfs/dbraw/zinc/72/86/49/429728649.db2.gz XTNCTTHSRZLUQS-UHFFFAOYSA-N 3 1 307.526 2.915 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000430960226 429730114 /nfs/dbraw/zinc/73/01/14/429730114.db2.gz HQPRZQHFJCSAOU-HOTGVXAUSA-N 2 1 323.440 2.961 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1-c1ccccc1)[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000430960226 429730116 /nfs/dbraw/zinc/73/01/16/429730116.db2.gz HQPRZQHFJCSAOU-HOTGVXAUSA-N 2 1 323.440 2.961 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2c(-c3ccccc3)nc3ccccn32)C1 ZINC000430966613 429731488 /nfs/dbraw/zinc/73/14/88/429731488.db2.gz PBUVCQOITFHVGZ-HNNXBMFYSA-N 2 1 306.413 2.782 20 0 DFADMP COc1ccncc1C[NH+]1CCC2(C[C@@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367872958 429732723 /nfs/dbraw/zinc/73/27/23/429732723.db2.gz BXHFZICPMOLQMA-MRXNPFEDSA-N 2 1 315.461 2.787 20 0 DFADMP COc1ccncc1C[NH+]1CCC2(C[C@H]2C[N@@H+](C)C2CC2)CC1 ZINC000367872957 429733550 /nfs/dbraw/zinc/73/35/50/429733550.db2.gz BXHFZICPMOLQMA-INIZCTEOSA-N 2 1 315.461 2.787 20 0 DFADMP CCNC(=O)C[C@@H]1CCCC[N@H+]1C[C@H]1CCCCN1C(C)C ZINC000450937523 429734551 /nfs/dbraw/zinc/73/45/51/429734551.db2.gz IAWASKRZZGMTSM-DLBZAZTESA-N 2 1 309.498 2.630 20 0 DFADMP CCNC(=O)C[C@@H]1CCCCN1C[C@H]1CCCC[N@@H+]1C(C)C ZINC000450937523 429734553 /nfs/dbraw/zinc/73/45/53/429734553.db2.gz IAWASKRZZGMTSM-DLBZAZTESA-N 2 1 309.498 2.630 20 0 DFADMP CCNC(=O)C[C@@H]1CCCCN1C[C@H]1CCCC[N@H+]1C(C)C ZINC000450937523 429734556 /nfs/dbraw/zinc/73/45/56/429734556.db2.gz IAWASKRZZGMTSM-DLBZAZTESA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1)c1ccccc1 ZINC000484833873 429742444 /nfs/dbraw/zinc/74/24/44/429742444.db2.gz HSRKCWBWCKVZSU-QXCFHYIPSA-N 2 1 302.462 2.927 20 0 DFADMP C[C@@H]1[C@@H](c2ccccc2)CC[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431103122 429743127 /nfs/dbraw/zinc/74/31/27/429743127.db2.gz VWESXOTUTLTKON-OCCSQVGLSA-N 2 1 300.406 2.641 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1 ZINC000368135804 429795981 /nfs/dbraw/zinc/79/59/81/429795981.db2.gz RPTFQEDEMWZKTH-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1ccc(C[NH+]2CCC[C@H]3C[N@H+](C)CC[C@@H]32)cc1 ZINC000368135804 429795983 /nfs/dbraw/zinc/79/59/83/429795983.db2.gz RPTFQEDEMWZKTH-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP COCCOc1ccc(C[NH+]2CCC[C@H]3C[N@@H+](C)CC[C@@H]32)cc1 ZINC000368135804 429795987 /nfs/dbraw/zinc/79/59/87/429795987.db2.gz RPTFQEDEMWZKTH-HKUYNNGSSA-N 2 1 318.461 2.628 20 0 DFADMP C[NH+]1CCC([C@@H]2CC[N@@H+](Cc3ccc(-c4cc[nH]n4)o3)C2)CC1 ZINC000368131976 429796386 /nfs/dbraw/zinc/79/63/86/429796386.db2.gz CTBGFHATAGHTRT-OAHLLOKOSA-N 2 1 314.433 2.833 20 0 DFADMP Cc1nc2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCCOC3)C1)CCCC2 ZINC000432081750 429798850 /nfs/dbraw/zinc/79/88/50/429798850.db2.gz RUOOZVSBIAYYQX-HZPDHXFCSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@H]3CCCOC3)C1)CCCC2 ZINC000432081750 429798853 /nfs/dbraw/zinc/79/88/53/429798853.db2.gz RUOOZVSBIAYYQX-HZPDHXFCSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@H]3CCCOC3)C1)CCCC2 ZINC000432081750 429798855 /nfs/dbraw/zinc/79/88/55/429798855.db2.gz RUOOZVSBIAYYQX-HZPDHXFCSA-N 2 1 303.450 2.744 20 0 DFADMP CCOc1ccc(CNC[C@H]2C[N@H+](CC(C)C)CCO2)cc1F ZINC000486943458 429755791 /nfs/dbraw/zinc/75/57/91/429755791.db2.gz NDAIXNYNTOLCPA-INIZCTEOSA-N 2 1 324.440 2.671 20 0 DFADMP CCN(CCC[NH+](C)C)C(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000451102162 429767611 /nfs/dbraw/zinc/76/76/11/429767611.db2.gz BJUPYBBTMDETOV-QGZVFWFLSA-N 2 1 309.498 2.584 20 0 DFADMP CCN(CCC[NH+](C)C)C(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000451102161 429768668 /nfs/dbraw/zinc/76/86/68/429768668.db2.gz BJUPYBBTMDETOV-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)ccn1 ZINC000527633432 429769416 /nfs/dbraw/zinc/76/94/16/429769416.db2.gz ZVCBKYUIMKALRB-UHFFFAOYSA-N 2 1 311.429 2.512 20 0 DFADMP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCOCC2)ccn1 ZINC000527630675 429770150 /nfs/dbraw/zinc/77/01/50/429770150.db2.gz FCYSWWNSSPHJDC-UHFFFAOYSA-N 2 1 311.429 2.512 20 0 DFADMP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCCc2[nH+]ccn21 ZINC000368063849 429778468 /nfs/dbraw/zinc/77/84/68/429778468.db2.gz OIPBSMHDSNMZKW-KRWDZBQOSA-N 2 1 324.428 2.995 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000431785733 429782033 /nfs/dbraw/zinc/78/20/33/429782033.db2.gz QTIXZMRRPNNFSD-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC000431788942 429782640 /nfs/dbraw/zinc/78/26/40/429782640.db2.gz OVLNNLVMCQZNCX-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC000431788942 429782643 /nfs/dbraw/zinc/78/26/43/429782643.db2.gz OVLNNLVMCQZNCX-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP CC[C@@H](C)[NH+](C)CCNC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000431788942 429782646 /nfs/dbraw/zinc/78/26/46/429782646.db2.gz OVLNNLVMCQZNCX-WBVHZDCISA-N 2 1 309.498 2.630 20 0 DFADMP CCC[C@@H]([NH2+]C(C)C)C(=O)N1CCC[N@H+](C2CCCC2)CC1 ZINC000431785734 429782791 /nfs/dbraw/zinc/78/27/91/429782791.db2.gz QTIXZMRRPNNFSD-QGZVFWFLSA-N 2 1 309.498 2.630 20 0 DFADMP CC(C)CC[NH+]1CCC(CNc2[nH+]cnc3[nH]ccc32)CC1 ZINC000431807505 429784612 /nfs/dbraw/zinc/78/46/12/429784612.db2.gz HEKNZKGSMLOWTF-UHFFFAOYSA-N 2 1 301.438 3.128 20 0 DFADMP C[NH+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)CC1 ZINC000451194658 429785158 /nfs/dbraw/zinc/78/51/58/429785158.db2.gz WHZLOXBSDLUAOD-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000431841388 429785990 /nfs/dbraw/zinc/78/59/90/429785990.db2.gz BWXUDSLUGJDTHX-QZTJIDSGSA-N 2 1 321.509 2.585 20 0 DFADMP Cc1ccc2ncc(C[N@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000368131013 429793357 /nfs/dbraw/zinc/79/33/57/429793357.db2.gz IIQLIYGOFBWACG-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP Cc1ccc2ncc(C[N@@H+](C)C[C@@H]3CCn4cc[nH+]c4C3)n2c1 ZINC000368131013 429793361 /nfs/dbraw/zinc/79/33/61/429793361.db2.gz IIQLIYGOFBWACG-OAHLLOKOSA-N 2 1 309.417 2.534 20 0 DFADMP CCCn1nc(C)c(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000368130340 429794468 /nfs/dbraw/zinc/79/44/68/429794468.db2.gz AUZWSXZDXPCODH-INIZCTEOSA-N 2 1 315.465 2.801 20 0 DFADMP CCCn1nc(C)c(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1C ZINC000368130340 429794472 /nfs/dbraw/zinc/79/44/72/429794472.db2.gz AUZWSXZDXPCODH-INIZCTEOSA-N 2 1 315.465 2.801 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3C[C@@H]3c3ccccc3)C2)CC1 ZINC000368273469 429821281 /nfs/dbraw/zinc/82/12/81/429821281.db2.gz MSSVEQSJGGAIBO-AQNXPRMDSA-N 2 1 313.489 2.643 20 0 DFADMP COc1cccc([C@H](C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)OC)c1 ZINC000527930772 429823120 /nfs/dbraw/zinc/82/31/20/429823120.db2.gz WAHDOBHUHICMNW-MANSERQUSA-N 2 1 318.461 2.845 20 0 DFADMP OC1CC(CC[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000432427591 429823309 /nfs/dbraw/zinc/82/33/09/429823309.db2.gz ZRIKDVOSAJIWDT-ZSDFWYKJSA-N 2 1 314.473 2.648 20 0 DFADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@H+](C[C@H]3CCCO3)C[C@@H]2C)C1(C)C ZINC000368563500 429868567 /nfs/dbraw/zinc/86/85/67/429868567.db2.gz LXNBCZPOSPLDOJ-WAXPSYRMSA-N 2 1 324.509 2.669 20 0 DFADMP CO[C@]1(C)C[C@H]([NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)C1(C)C ZINC000368563500 429868570 /nfs/dbraw/zinc/86/85/70/429868570.db2.gz LXNBCZPOSPLDOJ-WAXPSYRMSA-N 2 1 324.509 2.669 20 0 DFADMP C[C@@H]1[C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C[C@H]1c1ccccc1 ZINC000368355578 429836324 /nfs/dbraw/zinc/83/63/24/429836324.db2.gz XWSWFDJPOBSKPN-DFQSSKMNSA-N 2 1 315.505 2.796 20 0 DFADMP Cn1cc([C@H]2[C@H](C[N@@H+](C)CC3(C)CCC3)CCCN2C)cn1 ZINC000432795113 429841260 /nfs/dbraw/zinc/84/12/60/429841260.db2.gz DNMGEPWVXHKWGJ-DOTOQJQBSA-N 2 1 304.482 2.925 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](C[C@H](O)c3ccc(F)cc3)C2)CC1 ZINC000368393896 429841415 /nfs/dbraw/zinc/84/14/15/429841415.db2.gz RHEHFWWZMPGUTM-KRWDZBQOSA-N 2 1 306.425 2.667 20 0 DFADMP Cc1cccc2nc(C[N@@H+]3CCCC4(CC[NH+](C)CC4)C3)cn21 ZINC000368533812 429863359 /nfs/dbraw/zinc/86/33/59/429863359.db2.gz HENZSFLNDYCOOV-UHFFFAOYSA-N 2 1 312.461 2.951 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2C[N@@H+]3CCC[C@H]3CO2)c1 ZINC000368539239 429864123 /nfs/dbraw/zinc/86/41/23/429864123.db2.gz SBGZGTQGKVTFIZ-WDSOQIARSA-N 2 1 302.462 2.769 20 0 DFADMP Cc1cccc(CC[C@H](C)[NH2+]C[C@H]2C[N@H+]3CCC[C@H]3CO2)c1 ZINC000368539239 429864125 /nfs/dbraw/zinc/86/41/25/429864125.db2.gz SBGZGTQGKVTFIZ-WDSOQIARSA-N 2 1 302.462 2.769 20 0 DFADMP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+]1CCCC[C@H]1C ZINC000494306300 429866002 /nfs/dbraw/zinc/86/60/02/429866002.db2.gz CZDNFIKWZJAPBP-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC12CC2 ZINC000527861223 429811246 /nfs/dbraw/zinc/81/12/46/429811246.db2.gz CMKLEODQDZXSNW-WZGPROSRSA-N 2 1 314.473 2.648 20 0 DFADMP C[C@H]([NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1CO)[C@@H]1CC12CC2 ZINC000527861223 429811250 /nfs/dbraw/zinc/81/12/50/429811250.db2.gz CMKLEODQDZXSNW-WZGPROSRSA-N 2 1 314.473 2.648 20 0 DFADMP CO[C@@H](Cc1ccc(F)cc1)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000528390345 429884116 /nfs/dbraw/zinc/88/41/16/429884116.db2.gz WXJBDKCYZAMHBH-MJGOQNOKSA-N 2 1 320.452 2.801 20 0 DFADMP CC[NH+](CC)CC(=O)N1CCC[C@H](n2cc[nH+]c2C(C)C)C1 ZINC000368669693 429884831 /nfs/dbraw/zinc/88/48/31/429884831.db2.gz AXXCRCXHGOOXNV-HNNXBMFYSA-N 2 1 306.454 2.512 20 0 DFADMP CC[C@H](C[NH2+][C@H]1CCC[C@@H](c2ccnn2C)C1)[NH+]1CCCC1 ZINC000369144305 276627192 /nfs/dbraw/zinc/62/71/92/276627192.db2.gz OCVRWSVNOHTOMQ-IXDOHACOSA-N 2 1 304.482 2.910 20 0 DFADMP CC[C@H](c1ccccc1F)[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000368799236 429895506 /nfs/dbraw/zinc/89/55/06/429895506.db2.gz VNWCXDPZJNNSKA-VQIMIIECSA-N 2 1 319.468 2.989 20 0 DFADMP Fc1ccc(Br)cc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000368842801 429897974 /nfs/dbraw/zinc/89/79/74/429897974.db2.gz AKTKSCLNWZATMP-LBPRGKRZSA-N 2 1 324.197 2.889 20 0 DFADMP Fc1cc(Br)ccc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000368846516 429898261 /nfs/dbraw/zinc/89/82/61/429898261.db2.gz RQCLHPQVRAZWNT-GFCCVEGCSA-N 2 1 324.197 2.889 20 0 DFADMP C[N@@H+](CCc1ccccc1)C1CC[NH+](C2CCOCC2)CC1 ZINC000368850265 429898591 /nfs/dbraw/zinc/89/85/91/429898591.db2.gz IPRIOUNLLNTZSB-UHFFFAOYSA-N 2 1 302.462 2.804 20 0 DFADMP OC[C@@]1(Cc2ccccc2)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000368997565 429906120 /nfs/dbraw/zinc/90/61/20/429906120.db2.gz FTBCQLYYZLBYKE-FQEVSTJZSA-N 2 1 316.489 2.932 20 0 DFADMP OC[C@]1(Cc2ccccc2)CCC[N@H+]1CCC[NH+]1CCCCC1 ZINC000368997566 429906253 /nfs/dbraw/zinc/90/62/53/429906253.db2.gz FTBCQLYYZLBYKE-HXUWFJFHSA-N 2 1 316.489 2.932 20 0 DFADMP CN(C(=[NH2+])NC[C@@]1(C)CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000369054699 429909870 /nfs/dbraw/zinc/90/98/70/429909870.db2.gz MMMNXOYJNRXNMA-GOSISDBHSA-N 2 1 300.450 2.517 20 0 DFADMP CCC[NH+]1CCC(N2CC[NH+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000369272354 429921991 /nfs/dbraw/zinc/92/19/91/429921991.db2.gz BDVLTGSOLCDCTG-QGZVFWFLSA-N 2 1 316.493 2.635 20 0 DFADMP CC(C)CC[C@@H](O)C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000573476592 429956807 /nfs/dbraw/zinc/95/68/07/429956807.db2.gz UTVZSIKZFDZQKC-WOJBJXKFSA-N 2 1 318.505 2.938 20 0 DFADMP COc1cc(C)c(C[N@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000573487021 429957029 /nfs/dbraw/zinc/95/70/29/429957029.db2.gz DSVBWTMWWQLLDS-GOEBONIOSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[N@@H+](C)[C@@H]2CC[NH+](C)C[C@@H]2C)cc1OC ZINC000573487021 429957033 /nfs/dbraw/zinc/95/70/33/429957033.db2.gz DSVBWTMWWQLLDS-GOEBONIOSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@@H]2CC[N@H+](C)C[C@@H]2C)cc1OC ZINC000573487021 429957036 /nfs/dbraw/zinc/95/70/36/429957036.db2.gz DSVBWTMWWQLLDS-GOEBONIOSA-N 2 1 306.450 2.784 20 0 DFADMP COc1cc(C)c(C[NH+](C)[C@@H]2CC[N@@H+](C)C[C@@H]2C)cc1OC ZINC000573487021 429957039 /nfs/dbraw/zinc/95/70/39/429957039.db2.gz DSVBWTMWWQLLDS-GOEBONIOSA-N 2 1 306.450 2.784 20 0 DFADMP C[N@@H+](CCN1CC[NH+](C)[C@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000639745943 429966338 /nfs/dbraw/zinc/96/63/38/429966338.db2.gz VWXXHJDZSJRYSV-SFHVURJKSA-N 2 1 321.484 2.920 20 0 DFADMP C[NH+](CCN1CC[N@H+](C)[C@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000639745943 429966344 /nfs/dbraw/zinc/96/63/44/429966344.db2.gz VWXXHJDZSJRYSV-SFHVURJKSA-N 2 1 321.484 2.920 20 0 DFADMP C[NH+](CCN1CC[N@@H+](C)[C@H](C(C)(C)C)C1)Cc1ccc(F)cc1 ZINC000639745943 429966347 /nfs/dbraw/zinc/96/63/47/429966347.db2.gz VWXXHJDZSJRYSV-SFHVURJKSA-N 2 1 321.484 2.920 20 0 DFADMP CN(C)CC[NH2+][C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000558253778 429966407 /nfs/dbraw/zinc/96/64/07/429966407.db2.gz FAADWEWOGUQVMT-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCN[C@@H]1CCCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000558253778 429966411 /nfs/dbraw/zinc/96/64/11/429966411.db2.gz FAADWEWOGUQVMT-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCN[C@@H]1CCCC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000558253778 429966415 /nfs/dbraw/zinc/96/64/15/429966415.db2.gz FAADWEWOGUQVMT-VAMGGRTRSA-N 2 1 315.505 2.828 20 0 DFADMP Cn1c2ccccc2nc1CC[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639757207 429971224 /nfs/dbraw/zinc/97/12/24/429971224.db2.gz IUZHSQVNCDEZPF-UHFFFAOYSA-N 2 1 312.461 2.534 20 0 DFADMP Cc1cnn(CCCCC[N@@H+]2CCC3(C2)CC[NH+](C)CC3)c1 ZINC000639758294 429972300 /nfs/dbraw/zinc/97/23/00/429972300.db2.gz SSVMTUXCPHWCNL-UHFFFAOYSA-N 2 1 304.482 2.780 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](CCN3CCCc4ccccc43)C2)CC1 ZINC000639758803 429972619 /nfs/dbraw/zinc/97/26/19/429972619.db2.gz WKPWPLMVWURPRT-UHFFFAOYSA-N 2 1 313.489 2.857 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639761591 429972749 /nfs/dbraw/zinc/97/27/49/429972749.db2.gz GQJHAXUIIPATFJ-DLBZAZTESA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+]1CCC2(CC[N@H+](Cc3noc(-c4ccsc4)n3)C2)CC1 ZINC000639759556 429972924 /nfs/dbraw/zinc/97/29/24/429972924.db2.gz BEDCBZQDIHAUHY-UHFFFAOYSA-N 2 1 318.446 2.716 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3noc(-c4ccsc4)n3)C2)CC1 ZINC000639759556 429972927 /nfs/dbraw/zinc/97/29/27/429972927.db2.gz BEDCBZQDIHAUHY-UHFFFAOYSA-N 2 1 318.446 2.716 20 0 DFADMP [NH3+][C@H]1CCC[C@@H]1[NH2+]CCNc1ncc(C(F)(F)F)cc1Cl ZINC000573793197 429983082 /nfs/dbraw/zinc/98/30/82/429983082.db2.gz XIFLVUVYAZZEPV-QWRGUYRKSA-N 2 1 322.762 2.635 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccccc3)CC2)CC1 ZINC000557423133 429938628 /nfs/dbraw/zinc/93/86/28/429938628.db2.gz LRSCXVPJHIGCPA-UHFFFAOYSA-N 2 1 315.461 2.821 20 0 DFADMP CC(C)(C)n1cc(C[N@H+]2CCCN(c3cc[nH+]cc3)CC2)cn1 ZINC000639683697 429946605 /nfs/dbraw/zinc/94/66/05/429946605.db2.gz MDADWIJWCCAUBP-UHFFFAOYSA-N 2 1 313.449 2.745 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccc(-c3cc[nH]n3)o2)C[C@@H]1n1ccnc1 ZINC000369484529 429953902 /nfs/dbraw/zinc/95/39/02/429953902.db2.gz NIFPGWFLGWYPQE-BBRMVZONSA-N 2 1 311.389 2.949 20 0 DFADMP CC(C)CCNC(=O)[C@H](C)[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000560336480 430031465 /nfs/dbraw/zinc/03/14/65/430031465.db2.gz HYNMICLKPSDVKO-INIZCTEOSA-N 2 1 311.514 2.589 20 0 DFADMP C[NH+](C)[C@@H](CNC(=O)CC[C@@H]1CCC[NH2+]1)c1ccccc1Cl ZINC000291990609 276818527 /nfs/dbraw/zinc/81/85/27/276818527.db2.gz BCUIDLSKMWVBBW-BBRMVZONSA-N 2 1 323.868 2.591 20 0 DFADMP CC[C@@H]1C[NH+](CCCC[N@H+]2CCCO[C@H](CC)C2)CCCO1 ZINC000559702154 430011975 /nfs/dbraw/zinc/01/19/75/430011975.db2.gz JDAMZFMUUTYQGY-QZTJIDSGSA-N 2 1 312.498 2.768 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639918783 430023815 /nfs/dbraw/zinc/02/38/15/430023815.db2.gz QIWUYTMJTIHERH-HNNXBMFYSA-N 2 1 311.788 2.697 20 0 DFADMP O[C@@]1(C[NH2+]CC2=CCCCC2)CC[N@H+](Cc2ccccc2)C1 ZINC000634715456 430088432 /nfs/dbraw/zinc/08/84/32/430088432.db2.gz CXMVQGWHNDMZMY-LJQANCHMSA-N 2 1 300.446 2.713 20 0 DFADMP O[C@@]1(C[NH2+]CC2=CCCCC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634715456 430088435 /nfs/dbraw/zinc/08/84/35/430088435.db2.gz CXMVQGWHNDMZMY-LJQANCHMSA-N 2 1 300.446 2.713 20 0 DFADMP CC(F)(F)CCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000634716200 430088491 /nfs/dbraw/zinc/08/84/91/430088491.db2.gz QDPSGTHZGDZFNA-QGZVFWFLSA-N 2 1 312.404 2.648 20 0 DFADMP CC(F)(F)CCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000634716200 430088497 /nfs/dbraw/zinc/08/84/97/430088497.db2.gz QDPSGTHZGDZFNA-QGZVFWFLSA-N 2 1 312.404 2.648 20 0 DFADMP Cc1ncc([C@@H](C)NC[C@@H](O)C[N@@H+](C)Cc2ccccc2)s1 ZINC000634726945 430092160 /nfs/dbraw/zinc/09/21/60/430092160.db2.gz GSTUSEAIZZMXLF-CZUORRHYSA-N 2 1 319.474 2.595 20 0 DFADMP Cc1ncc([C@@H](C)[NH2+]C[C@@H](O)CN(C)Cc2ccccc2)s1 ZINC000634726945 430092161 /nfs/dbraw/zinc/09/21/61/430092161.db2.gz GSTUSEAIZZMXLF-CZUORRHYSA-N 2 1 319.474 2.595 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732856 430093858 /nfs/dbraw/zinc/09/38/58/430093858.db2.gz QIEKQEYSSMIARJ-QRQLOZEOSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000634732856 430093863 /nfs/dbraw/zinc/09/38/63/430093863.db2.gz QIEKQEYSSMIARJ-QRQLOZEOSA-N 2 1 315.505 2.875 20 0 DFADMP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1)C(C1CCC1)C1CCC1 ZINC000530212195 430104238 /nfs/dbraw/zinc/10/42/38/430104238.db2.gz PRVAUPIHQASRSI-QRQLOZEOSA-N 2 1 306.494 2.950 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1C[C@H](C[NH3+])[C@@H](C)C[C@H]1C ZINC000530226142 430106456 /nfs/dbraw/zinc/10/64/56/430106456.db2.gz PXORYXYERMCMPF-JSSFPYSZSA-N 2 1 308.441 2.688 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21)N(C)c1ccccc1 ZINC000560513869 430051887 /nfs/dbraw/zinc/05/18/87/430051887.db2.gz IWFFNPCQIIRGJN-QXCFHYIPSA-N 2 1 301.478 2.974 20 0 DFADMP CCC1([NH+](C)C)CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000640016272 430056229 /nfs/dbraw/zinc/05/62/29/430056229.db2.gz WUTVDUOIYHUHQI-UHFFFAOYSA-N 2 1 317.477 2.846 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000634688428 430079658 /nfs/dbraw/zinc/07/96/58/430079658.db2.gz RYLORAVQKULYMX-QLFBSQMISA-N 2 1 321.490 2.655 20 0 DFADMP C[C@@H]1CC[C@@H](C[N@@H+](Cc2nccs2)[C@@H]2CC23CC[NH2+]CC3)O1 ZINC000634688428 430079661 /nfs/dbraw/zinc/07/96/61/430079661.db2.gz RYLORAVQKULYMX-QLFBSQMISA-N 2 1 321.490 2.655 20 0 DFADMP C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000561228920 430083469 /nfs/dbraw/zinc/08/34/69/430083469.db2.gz FZLMMGJYJNYBMW-SJLPKXTDSA-N 2 1 321.509 2.726 20 0 DFADMP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH+](C)C)CCCC2)C1 ZINC000562617997 430155269 /nfs/dbraw/zinc/15/52/69/430155269.db2.gz ZCYSKPHXAMSANP-HZPDHXFCSA-N 2 1 304.482 2.910 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN(Cc1ccc([C@@H]2C[C@H]2C)o1)C1CC1 ZINC000580841003 430157308 /nfs/dbraw/zinc/15/73/08/430157308.db2.gz GEAADRJCOAVRLL-UKPHBRMFSA-N 2 1 306.450 2.680 20 0 DFADMP CC[C@H]1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000562640184 430158010 /nfs/dbraw/zinc/15/80/10/430158010.db2.gz MIJPVOSRBAYFNR-GJZGRUSLSA-N 2 1 316.449 2.598 20 0 DFADMP [NH3+]Cc1cccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)c1 ZINC000637800311 430133401 /nfs/dbraw/zinc/13/34/01/430133401.db2.gz DDUAUSMJUUSMBC-QGZVFWFLSA-N 2 1 309.413 2.606 20 0 DFADMP CN(Cc1nc(C(C)(C)N)no1)[C@H]1CCCc2ccccc21 ZINC000580552042 430134872 /nfs/dbraw/zinc/13/48/72/430134872.db2.gz LYBKKGIPOBTQEA-AWEZNQCLSA-N 2 1 300.406 2.773 20 0 DFADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)c(C)n1C ZINC000531493466 430142579 /nfs/dbraw/zinc/14/25/79/430142579.db2.gz DJQCRABRRFWNIJ-UHFFFAOYSA-N 2 1 319.493 2.877 20 0 DFADMP Cc1cc(C(=O)C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(C)n1C ZINC000531493466 430142584 /nfs/dbraw/zinc/14/25/84/430142584.db2.gz DJQCRABRRFWNIJ-UHFFFAOYSA-N 2 1 319.493 2.877 20 0 DFADMP C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@@H+]1CCCc1c[nH+]cn1C ZINC000563364718 430183285 /nfs/dbraw/zinc/18/32/85/430183285.db2.gz JFKCWQRSMOBFOK-GJZGRUSLSA-N 2 1 321.465 2.795 20 0 DFADMP C[C@H]1CC[C@H](C(=O)OC(C)(C)C)C[N@H+]1CCCc1c[nH+]cn1C ZINC000563364718 430183288 /nfs/dbraw/zinc/18/32/88/430183288.db2.gz JFKCWQRSMOBFOK-GJZGRUSLSA-N 2 1 321.465 2.795 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](Cc2c3c(nn2C)CCCC3)CC1 ZINC000637957888 430185766 /nfs/dbraw/zinc/18/57/66/430185766.db2.gz KVPVBGFNKDXOKU-UHFFFAOYSA-N 2 1 318.509 2.851 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200393 430187619 /nfs/dbraw/zinc/18/76/19/430187619.db2.gz GNOZKCFEXFEFPG-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200393 430187624 /nfs/dbraw/zinc/18/76/24/430187624.db2.gz GNOZKCFEXFEFPG-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CCC[C@]1(C)Cc1ccc(F)cc1 ZINC000581200393 430187627 /nfs/dbraw/zinc/18/76/27/430187627.db2.gz GNOZKCFEXFEFPG-QZTJIDSGSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)[C@@H](C)Cc2ccsc2)CC1 ZINC000541225182 430186485 /nfs/dbraw/zinc/18/64/85/430186485.db2.gz GSRZHJMDZCCAQL-GJZGRUSLSA-N 2 1 310.507 2.704 20 0 DFADMP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000371879948 277074179 /nfs/dbraw/zinc/07/41/79/277074179.db2.gz NFPBNTSOWBQURL-PKOBYXMFSA-N 2 1 317.452 2.525 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CCc4ccc(F)cc43)CC2)C1 ZINC000371879948 277074181 /nfs/dbraw/zinc/07/41/81/277074181.db2.gz NFPBNTSOWBQURL-PKOBYXMFSA-N 2 1 317.452 2.525 20 0 DFADMP C[NH+](C)CCCN[C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000581130969 430180640 /nfs/dbraw/zinc/18/06/40/430180640.db2.gz AYUGSKUDYRMGAB-SFHVURJKSA-N 2 1 301.478 2.725 20 0 DFADMP C[NH+](C)CCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000581130969 430180643 /nfs/dbraw/zinc/18/06/43/430180643.db2.gz AYUGSKUDYRMGAB-SFHVURJKSA-N 2 1 301.478 2.725 20 0 DFADMP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)[C@H]1CCC[NH2+]C1 ZINC000634997988 430188618 /nfs/dbraw/zinc/18/86/18/430188618.db2.gz XYGUBNXQQSGIFE-DETPVDSQSA-N 2 1 314.832 2.880 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@H]1C[NH3+] ZINC000634998844 430190118 /nfs/dbraw/zinc/19/01/18/430190118.db2.gz LSGJKIYXWXVAHC-HIFRSBDPSA-N 2 1 324.428 2.860 20 0 DFADMP CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640532823 430191018 /nfs/dbraw/zinc/19/10/18/430191018.db2.gz WLHGIVWPABOEFG-SFHVURJKSA-N 2 1 323.525 2.975 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3cccc4c3CC[NH2+]C4)CC[NH2+]2)cc1 ZINC000635005866 430192912 /nfs/dbraw/zinc/19/29/12/430192912.db2.gz XAWMCHCDMNHBFY-FPOVZHCZSA-N 3 1 321.468 2.915 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)COc1ccccc1 ZINC000640530626 430192904 /nfs/dbraw/zinc/19/29/04/430192904.db2.gz ACUSXVXVQFDXDX-GOSISDBHSA-N 2 1 320.477 2.624 20 0 DFADMP COc1ccc([C@H]([NH2+][C@H]2CC[C@H](C[NH3+])CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000635004423 430193009 /nfs/dbraw/zinc/19/30/09/430193009.db2.gz IPUIHNJGAAPNDW-OPNNQBFTSA-N 3 1 317.477 2.595 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000640534692 430193681 /nfs/dbraw/zinc/19/36/81/430193681.db2.gz RVYDLZOKOFBISQ-KZNAEPCWSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H](Cc1ccsc1)[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000542167426 430203890 /nfs/dbraw/zinc/20/38/90/430203890.db2.gz ONECYMUCPGKFFO-JFIYKMOQSA-N 2 1 321.534 2.637 20 0 DFADMP CC[NH2+][C@@H](C)C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000638064376 430224093 /nfs/dbraw/zinc/22/40/93/430224093.db2.gz SUKINPZQDORATK-CABCVRRESA-N 2 1 303.450 2.855 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)cc(OC)c1OC ZINC000157399859 277388715 /nfs/dbraw/zinc/38/87/15/277388715.db2.gz VYSLPPZDHGKHCX-KCQAQPDRSA-N 2 1 322.449 2.846 20 0 DFADMP COc1cc([C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc(OC)c1OC ZINC000157399859 277388717 /nfs/dbraw/zinc/38/87/17/277388717.db2.gz VYSLPPZDHGKHCX-KCQAQPDRSA-N 2 1 322.449 2.846 20 0 DFADMP C[N@@H+](CC(=O)NC[C@H](c1ccco1)[NH+]1CCCC1)CC(C)(C)C ZINC000635111968 430212479 /nfs/dbraw/zinc/21/24/79/430212479.db2.gz QQPSKNMELRAJIO-OAHLLOKOSA-N 2 1 321.465 2.511 20 0 DFADMP CC[N@H+](CCCc1c[nH+]cn1C)C[C@@H]1COc2ccccc2O1 ZINC000565488143 430215125 /nfs/dbraw/zinc/21/51/25/430215125.db2.gz ABARYBBAIAINOK-MRXNPFEDSA-N 2 1 315.417 2.515 20 0 DFADMP CC[N@@H+](CCCc1c[nH+]cn1C)C[C@@H]1COc2ccccc2O1 ZINC000565488143 430215126 /nfs/dbraw/zinc/21/51/26/430215126.db2.gz ABARYBBAIAINOK-MRXNPFEDSA-N 2 1 315.417 2.515 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488381 430216524 /nfs/dbraw/zinc/21/65/24/430216524.db2.gz FTNKJNZSCCLHTF-QAPCUYQASA-N 2 1 320.477 2.608 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488381 430216528 /nfs/dbraw/zinc/21/65/28/430216528.db2.gz FTNKJNZSCCLHTF-QAPCUYQASA-N 2 1 320.477 2.608 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488381 430216531 /nfs/dbraw/zinc/21/65/31/430216531.db2.gz FTNKJNZSCCLHTF-QAPCUYQASA-N 2 1 320.477 2.608 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](Cc1ccc(OC)cc1)[C@H](C)C1CC1 ZINC000565488381 430216532 /nfs/dbraw/zinc/21/65/32/430216532.db2.gz FTNKJNZSCCLHTF-QAPCUYQASA-N 2 1 320.477 2.608 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133949 430247710 /nfs/dbraw/zinc/24/77/10/430247710.db2.gz LTDZBZNCGSHYJO-ZWKOTPCHSA-N 2 1 301.478 2.787 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133949 430247712 /nfs/dbraw/zinc/24/77/12/430247712.db2.gz LTDZBZNCGSHYJO-ZWKOTPCHSA-N 2 1 301.478 2.787 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](C[C@H]2CCN(c3ccccc3)C2)C1 ZINC000638133949 430247714 /nfs/dbraw/zinc/24/77/14/430247714.db2.gz LTDZBZNCGSHYJO-ZWKOTPCHSA-N 2 1 301.478 2.787 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582062704 430266378 /nfs/dbraw/zinc/26/63/78/430266378.db2.gz WRIPQJIBOUIICJ-IBGZPJMESA-N 2 1 310.445 2.756 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000582062704 430266383 /nfs/dbraw/zinc/26/63/83/430266383.db2.gz WRIPQJIBOUIICJ-IBGZPJMESA-N 2 1 310.445 2.756 20 0 DFADMP C[N@H+]1CC[C@@H](CC(=O)Nc2ccc(CC[NH+]3CCCC3)cc2)C1 ZINC000635415225 430275127 /nfs/dbraw/zinc/27/51/27/430275127.db2.gz ATTUJYKNQMQAED-KRWDZBQOSA-N 2 1 315.461 2.605 20 0 DFADMP CC[NH+](CC)CC1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635448748 430280593 /nfs/dbraw/zinc/28/05/93/430280593.db2.gz WYRKHPJWZXNAEG-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N(CC[NH+](C)C)c1ccccc1 ZINC000635452176 430283492 /nfs/dbraw/zinc/28/34/92/430283492.db2.gz YIQMKNVGFATSRE-UHFFFAOYSA-N 2 1 314.433 2.601 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@@H+]1CC[C@H](C[NH+](C)C)C1)CC2 ZINC000638076047 430227826 /nfs/dbraw/zinc/22/78/26/430227826.db2.gz IJMZGHFDCCJQML-CJNGLKHVSA-N 2 1 304.434 2.575 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([N@H+]1CC[C@H](C[NH+](C)C)C1)CC2 ZINC000638076047 430227829 /nfs/dbraw/zinc/22/78/29/430227829.db2.gz IJMZGHFDCCJQML-CJNGLKHVSA-N 2 1 304.434 2.575 20 0 DFADMP Cn1cc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000581666577 430230435 /nfs/dbraw/zinc/23/04/35/430230435.db2.gz NMQNDSQXJWMIJH-IBGZPJMESA-N 2 1 324.472 2.749 20 0 DFADMP Cn1cc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)cn1 ZINC000581666577 430230438 /nfs/dbraw/zinc/23/04/38/430230438.db2.gz NMQNDSQXJWMIJH-IBGZPJMESA-N 2 1 324.472 2.749 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1 ZINC000635253097 430239732 /nfs/dbraw/zinc/23/97/32/430239732.db2.gz FUCVZSZNWTYVLI-INIZCTEOSA-N 2 1 303.450 2.809 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)C3(C[NH+](C)C)CC3)c2C1 ZINC000635483753 430290047 /nfs/dbraw/zinc/29/00/47/430290047.db2.gz RCDFUXIWPLXJFR-UHFFFAOYSA-N 2 1 301.434 2.693 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)C3(C[NH+](C)C)CC3)c2C1 ZINC000635483753 430290048 /nfs/dbraw/zinc/29/00/48/430290048.db2.gz RCDFUXIWPLXJFR-UHFFFAOYSA-N 2 1 301.434 2.693 20 0 DFADMP C[N@@H+](CCOc1ccccc1F)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000568050366 430309621 /nfs/dbraw/zinc/30/96/21/430309621.db2.gz VJYGEQRGSDAREI-UHFFFAOYSA-N 2 1 314.404 2.982 20 0 DFADMP CC[NH+](CC)[C@H](C[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1)CC(C)C ZINC000638354004 430313443 /nfs/dbraw/zinc/31/34/43/430313443.db2.gz UOUQXIDBRCVXNT-IKGGRYGDSA-N 2 1 311.514 2.780 20 0 DFADMP CO[C@@H](C[NH2+]CCCC[N@H+]1CCCC[C@@H]1C)C1CCOCC1 ZINC000638365574 430319051 /nfs/dbraw/zinc/31/90/51/430319051.db2.gz GBBDADOZVYTKBS-WMZOPIPTSA-N 2 1 312.498 2.672 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000568166122 430323238 /nfs/dbraw/zinc/32/32/38/430323238.db2.gz DDGJUCIGXYJHTR-BASLNEPJSA-N 2 1 310.869 2.939 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000568166122 430323245 /nfs/dbraw/zinc/32/32/45/430323245.db2.gz DDGJUCIGXYJHTR-BASLNEPJSA-N 2 1 310.869 2.939 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C ZINC000568166122 430323249 /nfs/dbraw/zinc/32/32/49/430323249.db2.gz DDGJUCIGXYJHTR-BASLNEPJSA-N 2 1 310.869 2.939 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000638378956 430324332 /nfs/dbraw/zinc/32/43/32/430324332.db2.gz UJFWXXRYEBYMJU-MAUKXSAKSA-N 2 1 319.493 2.537 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@H]2CCC23CCC3)c2cccs2)CC1 ZINC000582832940 430337795 /nfs/dbraw/zinc/33/77/95/430337795.db2.gz FVVBWWVCWAZJNX-WBVHZDCISA-N 2 1 319.518 2.959 20 0 DFADMP CO[C@H](C[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1)[C@H]1CCOC1 ZINC000638434119 430340761 /nfs/dbraw/zinc/34/07/61/430340761.db2.gz HSYFANSKPFAYOF-RBUKOAKNSA-N 2 1 320.477 2.668 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC000547736951 430415876 /nfs/dbraw/zinc/41/58/76/430415876.db2.gz AFKYDKXVSMHOIH-UHFFFAOYSA-N 2 1 320.481 2.695 20 0 DFADMP Cc1[nH+]ccn1CCCN(C)C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000547736951 430415880 /nfs/dbraw/zinc/41/58/80/430415880.db2.gz AFKYDKXVSMHOIH-UHFFFAOYSA-N 2 1 320.481 2.695 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1)C1CCCCC1 ZINC000547732631 430416861 /nfs/dbraw/zinc/41/68/61/430416861.db2.gz LQXXAGGMNTYDDX-GOSISDBHSA-N 2 1 321.509 2.728 20 0 DFADMP Cc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])c(O[C@@H]2CCOC2)c1 ZINC000583018721 430356021 /nfs/dbraw/zinc/35/60/21/430356021.db2.gz JXNFQMVRULRSHJ-KZNAEPCWSA-N 2 1 318.461 2.912 20 0 DFADMP COC(=O)CCC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000583051389 430359810 /nfs/dbraw/zinc/35/98/10/430359810.db2.gz MGXNIDCKFNZNHC-HNNXBMFYSA-N 2 1 324.490 2.763 20 0 DFADMP COC(=O)CCC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000583051389 430359815 /nfs/dbraw/zinc/35/98/15/430359815.db2.gz MGXNIDCKFNZNHC-HNNXBMFYSA-N 2 1 324.490 2.763 20 0 DFADMP COC(=O)CCC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000583051389 430359822 /nfs/dbraw/zinc/35/98/22/430359822.db2.gz MGXNIDCKFNZNHC-HNNXBMFYSA-N 2 1 324.490 2.763 20 0 DFADMP Cc1nc(C[NH+]2CCC(C[NH2+]CCC[C@H]3CCO3)CC2)oc1C ZINC000638523113 430366639 /nfs/dbraw/zinc/36/66/39/430366639.db2.gz CFQUNCUXTYSASR-KRWDZBQOSA-N 2 1 321.465 2.662 20 0 DFADMP COCC1(C[NH2+]C[C@H]2CC[N@@H+](CCc3ccccc3)C2)CCC1 ZINC000638521833 430366669 /nfs/dbraw/zinc/36/66/69/430366669.db2.gz QGLFIGOTGXAWMU-LJQANCHMSA-N 2 1 316.489 2.957 20 0 DFADMP C[NH+](C)CCCC1CCN(C(=O)[C@@H]2CC[N@H+]2C2CCCC2)CC1 ZINC000635752703 430367461 /nfs/dbraw/zinc/36/74/61/430367461.db2.gz MDPKHDIDEYSZRX-SFHVURJKSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[C@H](C[NH2+]CC1CC[NH+](Cc2nc(C)c(C)o2)CC1)OC ZINC000638524525 430367410 /nfs/dbraw/zinc/36/74/10/430367410.db2.gz PXROVXQFCXHDKU-QGZVFWFLSA-N 2 1 323.481 2.908 20 0 DFADMP Cn1cncc1CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000568526669 430367524 /nfs/dbraw/zinc/36/75/24/430367524.db2.gz CJEZZVBBLYKCHN-INIZCTEOSA-N 2 1 313.401 2.919 20 0 DFADMP Cn1c[nH+]cc1CCC[N@@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000568526669 430367532 /nfs/dbraw/zinc/36/75/32/430367532.db2.gz CJEZZVBBLYKCHN-INIZCTEOSA-N 2 1 313.401 2.919 20 0 DFADMP Cn1c[nH+]cc1CCC[N@H+]1CCC[C@H]1c1ccc2c(c1)OCO2 ZINC000568526669 430367537 /nfs/dbraw/zinc/36/75/37/430367537.db2.gz CJEZZVBBLYKCHN-INIZCTEOSA-N 2 1 313.401 2.919 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H](C)C[C@@H]2CCCC(=O)N2)c1 ZINC000638564280 430376993 /nfs/dbraw/zinc/37/69/93/430376993.db2.gz XQFNNUPIYKZREV-YJBOKZPZSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC000547271115 430382385 /nfs/dbraw/zinc/38/23/85/430382385.db2.gz DWTMKJJUOHOXAD-OXQOHEQNSA-N 2 1 318.505 2.819 20 0 DFADMP C[C@@H](C[NH2+]C[C@]1(O)CC[N@@H+](C)C1)Cc1ccc(C(C)(C)C)cc1 ZINC000547271115 430382390 /nfs/dbraw/zinc/38/23/90/430382390.db2.gz DWTMKJJUOHOXAD-OXQOHEQNSA-N 2 1 318.505 2.819 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638593847 430382823 /nfs/dbraw/zinc/38/28/23/430382823.db2.gz AINUCUAWSICGNX-GVDBMIGSSA-N 2 1 323.525 2.924 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H](C)C[C@H]2CCCC(=O)N2)C1 ZINC000638593847 430382827 /nfs/dbraw/zinc/38/28/27/430382827.db2.gz AINUCUAWSICGNX-GVDBMIGSSA-N 2 1 323.525 2.924 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)[C@H](C)C1 ZINC000638595369 430383473 /nfs/dbraw/zinc/38/34/73/430383473.db2.gz RNXGMKTUHINHGQ-RHSMWYFYSA-N 2 1 323.456 2.635 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2cccc(F)c2N)[C@H](C)C1 ZINC000638595369 430383475 /nfs/dbraw/zinc/38/34/75/430383475.db2.gz RNXGMKTUHINHGQ-RHSMWYFYSA-N 2 1 323.456 2.635 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC[N@H+]1C ZINC000568740309 430386582 /nfs/dbraw/zinc/38/65/82/430386582.db2.gz FEMUPDZMUJCOCP-OCCSQVGLSA-N 2 1 309.841 2.741 20 0 DFADMP OC1(C[NH2+][C@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000638619757 430392172 /nfs/dbraw/zinc/39/21/72/430392172.db2.gz NRXIRKWZDPNEHP-WMZOPIPTSA-N 2 1 300.446 2.859 20 0 DFADMP OC1(C[NH2+][C@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CCC1 ZINC000638619757 430392177 /nfs/dbraw/zinc/39/21/77/430392177.db2.gz NRXIRKWZDPNEHP-WMZOPIPTSA-N 2 1 300.446 2.859 20 0 DFADMP Cc1cccc(C2(C[NH2+]C[C@@H](O)C[N@@H+](C)C3CC3)CCCC2)c1 ZINC000583436025 430395008 /nfs/dbraw/zinc/39/50/08/430395008.db2.gz OHYYHFALMICLQY-LJQANCHMSA-N 2 1 316.489 2.852 20 0 DFADMP Cc1cccc(C2(C[NH2+]C[C@@H](O)C[N@H+](C)C3CC3)CCCC2)c1 ZINC000583436025 430395014 /nfs/dbraw/zinc/39/50/14/430395014.db2.gz OHYYHFALMICLQY-LJQANCHMSA-N 2 1 316.489 2.852 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1)C(C)C ZINC000638644966 430398363 /nfs/dbraw/zinc/39/83/63/430398363.db2.gz TXQYJSHABOIAJQ-QAPCUYQASA-N 2 1 317.477 2.787 20 0 DFADMP C[NH+](C)C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000635906360 430409153 /nfs/dbraw/zinc/40/91/53/430409153.db2.gz HQTXNPOTRSLMAZ-HOTGVXAUSA-N 2 1 323.868 2.543 20 0 DFADMP CC(C)C[NH+]1CCC(NC(=O)CC[N@@H+](C)C2CCCCC2)CC1 ZINC000548061256 430442939 /nfs/dbraw/zinc/44/29/39/430442939.db2.gz VWFPXEIDVKRSOM-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000583929356 430442947 /nfs/dbraw/zinc/44/29/47/430442947.db2.gz DITRWVLJUQZFLY-RVKKMQEKSA-N 2 1 301.434 2.582 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000583929354 430443134 /nfs/dbraw/zinc/44/31/34/430443134.db2.gz DITRWVLJUQZFLY-IIDMSEBBSA-N 2 1 301.434 2.582 20 0 DFADMP C[C@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[NH+](C)C1CCCCC1 ZINC000548061406 430443484 /nfs/dbraw/zinc/44/34/84/430443484.db2.gz ULSQHDZGZPZPFW-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC000548061406 430443487 /nfs/dbraw/zinc/44/34/87/430443487.db2.gz ULSQHDZGZPZPFW-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP C[C@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548061406 430443491 /nfs/dbraw/zinc/44/34/91/430443491.db2.gz ULSQHDZGZPZPFW-FUHWJXTLSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC000548064501 430444341 /nfs/dbraw/zinc/44/43/41/430444341.db2.gz QIEROPQRSDJSQY-KRWDZBQOSA-N 2 1 309.498 2.584 20 0 DFADMP C[C@@H](CN[C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C ZINC000569339357 430444543 /nfs/dbraw/zinc/44/45/43/430444543.db2.gz DRUPVQYAXBTZEE-FUHWJXTLSA-N 2 1 301.478 2.723 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060483 430444535 /nfs/dbraw/zinc/44/45/35/430444535.db2.gz AWSSODBNXBGMPH-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060483 430444538 /nfs/dbraw/zinc/44/45/38/430444538.db2.gz AWSSODBNXBGMPH-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@@H](C[NH+]1CCC[C@@H](C)C1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060483 430444542 /nfs/dbraw/zinc/44/45/42/430444542.db2.gz AWSSODBNXBGMPH-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CC(C)[N@H+]1CCC[C@@H](C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)C1 ZINC000584048122 430453474 /nfs/dbraw/zinc/45/34/74/430453474.db2.gz DLHTXCJNUFFTTL-FUHWJXTLSA-N 2 1 324.896 2.953 20 0 DFADMP [NH3+]CCCCC(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851475 430454653 /nfs/dbraw/zinc/45/46/53/430454653.db2.gz LUOQEDZTDHJJGR-SFHVURJKSA-N 2 1 317.477 2.676 20 0 DFADMP COc1cncc(/C=C\CC[N@@H+](C)CCC[NH+]2CCCC2)c1 ZINC000584050454 430454919 /nfs/dbraw/zinc/45/49/19/430454919.db2.gz VDYFEYHABYDVDQ-BAQGIRSFSA-N 2 1 303.450 2.911 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]CCCc1cnn(C)c1 ZINC000638854591 430456306 /nfs/dbraw/zinc/45/63/06/430456306.db2.gz RIIKSWNGGAELAX-UHFFFAOYSA-N 2 1 314.477 2.983 20 0 DFADMP CO[C@@H](C[NH2+]Cc1ccccc1C[N@@H+](C)C(C)C)[C@@H]1CCOC1 ZINC000638853399 430456789 /nfs/dbraw/zinc/45/67/89/430456789.db2.gz FJAHMPPFQWEFON-MOPGFXCFSA-N 2 1 320.477 2.668 20 0 DFADMP [NH3+]CCC[C@H]([NH2+]C1CCN(CC2CC2)CC1)c1ccccc1 ZINC000584100775 430459090 /nfs/dbraw/zinc/45/90/90/430459090.db2.gz DETBFTBXPWBQEF-IBGZPJMESA-N 2 1 301.478 2.931 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)c(-c2cnn(C)c2)c1 ZINC000569484557 430459378 /nfs/dbraw/zinc/45/93/78/430459378.db2.gz ABSOOSGMPJGSSI-FQEVSTJZSA-N 2 1 324.472 2.971 20 0 DFADMP CC[C@H](C)[C@H](C[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1)OC ZINC000638874927 430464320 /nfs/dbraw/zinc/46/43/20/430464320.db2.gz ZEABKVFGVOYIDG-GUYCJALGSA-N 2 1 320.481 2.713 20 0 DFADMP CC[NH+](CC)CC[C@H](CO)[NH2+]Cc1cc2c(cccc2C)[nH]1 ZINC000641769762 430466508 /nfs/dbraw/zinc/46/65/08/430466508.db2.gz CMUHAXBTEJQYHB-OAHLLOKOSA-N 2 1 303.450 2.659 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH3+])C2)cc1)C(C)C ZINC000638894156 430469325 /nfs/dbraw/zinc/46/93/25/430469325.db2.gz PNYBJDMQBLWCFR-MAUKXSAKSA-N 2 1 317.477 2.584 20 0 DFADMP Cc1cccc([C@H](C)[NH2+]Cc2nnc(C3CC[NH2+]CC3)[nH]2)c1C ZINC000584226600 430470893 /nfs/dbraw/zinc/47/08/93/430470893.db2.gz CANSEQPOZZCMKY-AWEZNQCLSA-N 2 1 313.449 2.739 20 0 DFADMP c1cc(C[N@H+](CCc2cn[nH]c2)[C@@H]2CC23CC[NH2+]CC3)cs1 ZINC000641797415 430476173 /nfs/dbraw/zinc/47/61/73/430476173.db2.gz CAQWTHDHTMAROB-MRXNPFEDSA-N 2 1 316.474 2.658 20 0 DFADMP CC(C)(C)N(Cc1ccccc1)C(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641803365 430476199 /nfs/dbraw/zinc/47/61/99/430476199.db2.gz CCJNULLZWDYFMA-CVEARBPZSA-N 2 1 317.477 2.529 20 0 DFADMP CC(C)(C)c1ccccc1NC(=O)C[NH2+][C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641806026 430478164 /nfs/dbraw/zinc/47/81/64/430478164.db2.gz QBISGDZRUJLVEE-CABCVRRESA-N 2 1 303.450 2.638 20 0 DFADMP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])C1(C)C)C(=O)Nc1cc(Cl)ccc1F ZINC000641807823 430479842 /nfs/dbraw/zinc/47/98/42/430479842.db2.gz SBMDAWYBMGBBCC-CKLFPEKLSA-N 2 1 313.804 2.522 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@@H]2CCCNC(=O)C2)cc1 ZINC000638768757 430428621 /nfs/dbraw/zinc/42/86/21/430428621.db2.gz FHJAUKGLLNXSKC-CZUORRHYSA-N 2 1 312.417 2.500 20 0 DFADMP c1cc2c(ncnc2NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000588896639 430485178 /nfs/dbraw/zinc/48/51/78/430485178.db2.gz RVZURWIZCZKIGM-MRXNPFEDSA-N 2 1 321.428 3.282 20 0 DFADMP c1cc2c(nc[nH+]c2NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[nH]1 ZINC000588896639 430485184 /nfs/dbraw/zinc/48/51/84/430485184.db2.gz RVZURWIZCZKIGM-MRXNPFEDSA-N 2 1 321.428 3.282 20 0 DFADMP c1cc2c(nc[nH+]c2NC[C@H]2CCC[N@@H+](Cc3ccccc3)C2)[nH]1 ZINC000588896639 430485187 /nfs/dbraw/zinc/48/51/87/430485187.db2.gz RVZURWIZCZKIGM-MRXNPFEDSA-N 2 1 321.428 3.282 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000636203830 430485870 /nfs/dbraw/zinc/48/58/70/430485870.db2.gz ZUAIAEBIXSUBAS-HNNXBMFYSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)c1[nH+]ccn1CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000636203830 430485875 /nfs/dbraw/zinc/48/58/75/430485875.db2.gz ZUAIAEBIXSUBAS-HNNXBMFYSA-N 2 1 318.465 2.530 20 0 DFADMP CC(C)[C@@H](Cc1ccccc1)[NH2+]CC1([NH+](C)C)CCOCC1 ZINC000187205521 277748086 /nfs/dbraw/zinc/74/80/86/277748086.db2.gz VULYYDMEGYAMLW-GOSISDBHSA-N 2 1 304.478 2.954 20 0 DFADMP Brc1ccc2[nH+]ccc(NCC[NH2+]C3CC3)c2c1 ZINC000643002320 430540819 /nfs/dbraw/zinc/54/08/19/430540819.db2.gz XFMSMMYVUFBORH-UHFFFAOYSA-N 2 1 306.207 2.583 20 0 DFADMP C[C@@H]([NH2+]CCc1ccc(OC(F)F)cc1)c1c[nH+]ccc1N ZINC000569957088 430501550 /nfs/dbraw/zinc/50/15/50/430501550.db2.gz CUFDZSQIBSINHK-LLVKDONJSA-N 2 1 307.344 2.989 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCC3(CCCC3)O2)C1 ZINC000548918371 430510832 /nfs/dbraw/zinc/51/08/32/430510832.db2.gz PRKPXAROWRTJRG-MSOLQXFVSA-N 2 1 324.509 2.911 20 0 DFADMP c1ccc(C[N@@H+]2CCCO[C@H](C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000639104735 430526854 /nfs/dbraw/zinc/52/68/54/430526854.db2.gz MIZZACPXHBUAPM-IYWMVGAKSA-N 2 1 314.473 2.913 20 0 DFADMP c1ccc(C[N@H+]2CCCO[C@H](C[NH2+]C[C@@H]3C[C@H]4C[C@H]4C3)C2)cc1 ZINC000639104735 430526857 /nfs/dbraw/zinc/52/68/57/430526857.db2.gz MIZZACPXHBUAPM-IYWMVGAKSA-N 2 1 314.473 2.913 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNCc2cnc([C@H]3CCCO3)s2)C1 ZINC000549867867 430534341 /nfs/dbraw/zinc/53/43/41/430534341.db2.gz YRQUQFJDMLIOFF-DZGCQCFKSA-N 2 1 309.479 2.815 20 0 DFADMP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000549867867 430534345 /nfs/dbraw/zinc/53/43/45/430534345.db2.gz YRQUQFJDMLIOFF-DZGCQCFKSA-N 2 1 309.479 2.815 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000549867867 430534348 /nfs/dbraw/zinc/53/43/48/430534348.db2.gz YRQUQFJDMLIOFF-DZGCQCFKSA-N 2 1 309.479 2.815 20 0 DFADMP C[C@@H](C[NH+](C)C)N[C@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639168828 430551630 /nfs/dbraw/zinc/55/16/30/430551630.db2.gz VLJJYXQOZDTTSI-VDZJLULYSA-N 2 1 301.478 2.894 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)[C@H](C)C(C)(C)n1cncn1 ZINC000639176394 430555684 /nfs/dbraw/zinc/55/56/84/430555684.db2.gz FVSFGUIUALXJIL-OAHLLOKOSA-N 2 1 318.469 2.573 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)[C@H](C)C(C)(C)n1cncn1 ZINC000639176394 430555688 /nfs/dbraw/zinc/55/56/88/430555688.db2.gz FVSFGUIUALXJIL-OAHLLOKOSA-N 2 1 318.469 2.573 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCC(Nc2ccccn2)CC1 ZINC000551526134 430556111 /nfs/dbraw/zinc/55/61/11/430556111.db2.gz DGASFYQZFKZJBT-QGZVFWFLSA-N 2 1 302.466 2.832 20 0 DFADMP Cc1ncc([C@@H](C)[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(C)n1 ZINC000639177352 430556029 /nfs/dbraw/zinc/55/60/29/430556029.db2.gz SHGPUKJZZBTCEM-PBHICJAKSA-N 2 1 302.466 2.818 20 0 DFADMP CO[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000639177658 430557737 /nfs/dbraw/zinc/55/77/37/430557737.db2.gz WTNBWQMHHDFPMV-PMACEKPBSA-N 2 1 316.489 2.908 20 0 DFADMP CO[C@H](Cc1ccccc1)C[N@H+]1CCC[C@@H]2C[NH+](C)CC[C@H]21 ZINC000639180270 430558531 /nfs/dbraw/zinc/55/85/31/430558531.db2.gz WDOONZKUVDOURU-GUDVDZBRSA-N 2 1 302.462 2.660 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000639180270 430558534 /nfs/dbraw/zinc/55/85/34/430558534.db2.gz WDOONZKUVDOURU-GUDVDZBRSA-N 2 1 302.462 2.660 20 0 DFADMP CCOC1CC[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)CC1 ZINC000643249776 430567273 /nfs/dbraw/zinc/56/72/73/430567273.db2.gz BPNODBUIBMKUEL-UHFFFAOYSA-N 2 1 318.461 2.520 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCn3ccnc3)C2)s1 ZINC000570686594 430568645 /nfs/dbraw/zinc/56/86/45/430568645.db2.gz FTOJDPMUXRKSFA-MRXNPFEDSA-N 2 1 318.490 2.707 20 0 DFADMP Cc1ccc(CN2CC[C@H](C[N@H+](C)CCn3ccnc3)C2)s1 ZINC000570686594 430568656 /nfs/dbraw/zinc/56/86/56/430568656.db2.gz FTOJDPMUXRKSFA-MRXNPFEDSA-N 3 1 318.490 2.707 20 0 DFADMP Cc1ccc(CN2CC[C@H](C[N@@H+](C)CCn3ccnc3)C2)s1 ZINC000570686594 430568660 /nfs/dbraw/zinc/56/86/60/430568660.db2.gz FTOJDPMUXRKSFA-MRXNPFEDSA-N 3 1 318.490 2.707 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206911 430571306 /nfs/dbraw/zinc/57/13/06/430571306.db2.gz CZXGPAPBDDPQKA-UYAOXDASSA-N 2 1 313.489 2.931 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206911 430571309 /nfs/dbraw/zinc/57/13/09/430571309.db2.gz CZXGPAPBDDPQKA-UYAOXDASSA-N 2 1 313.489 2.931 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](C[C@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206911 430571312 /nfs/dbraw/zinc/57/13/12/430571312.db2.gz CZXGPAPBDDPQKA-UYAOXDASSA-N 2 1 313.489 2.931 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206907 430571517 /nfs/dbraw/zinc/57/15/17/430571517.db2.gz CZXGPAPBDDPQKA-ICSRJNTNSA-N 2 1 313.489 2.931 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206907 430571520 /nfs/dbraw/zinc/57/15/20/430571520.db2.gz CZXGPAPBDDPQKA-ICSRJNTNSA-N 2 1 313.489 2.931 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H]3CCN(c4ccccc4)C3)C2)C1 ZINC000639206907 430571521 /nfs/dbraw/zinc/57/15/21/430571521.db2.gz CZXGPAPBDDPQKA-ICSRJNTNSA-N 2 1 313.489 2.931 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000552062658 430582281 /nfs/dbraw/zinc/58/22/81/430582281.db2.gz CGDHHUSETGNKCB-MKXGPGLRSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000552062658 430582285 /nfs/dbraw/zinc/58/22/85/430582285.db2.gz CGDHHUSETGNKCB-MKXGPGLRSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000552062658 430582288 /nfs/dbraw/zinc/58/22/88/430582288.db2.gz CGDHHUSETGNKCB-MKXGPGLRSA-N 2 1 307.526 2.959 20 0 DFADMP CC[NH+]1CCC(C[NH2+][C@@H]2CC[NH2+][C@@H](c3ccccc3)C2)CC1 ZINC000643453686 430602113 /nfs/dbraw/zinc/60/21/13/430602113.db2.gz RJZBNOXIWFLRIL-RTBURBONSA-N 3 1 301.478 2.801 20 0 DFADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000639256423 430589393 /nfs/dbraw/zinc/58/93/93/430589393.db2.gz ZHNZTDOZZDDXDD-YLJYHZDGSA-N 3 1 324.472 2.920 20 0 DFADMP Cn1cnc(CC[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000639256423 430589395 /nfs/dbraw/zinc/58/93/95/430589395.db2.gz ZHNZTDOZZDDXDD-YLJYHZDGSA-N 3 1 324.472 2.920 20 0 DFADMP Cn1cnc(CC[NH2+][C@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000639256418 430590422 /nfs/dbraw/zinc/59/04/22/430590422.db2.gz ZHNZTDOZZDDXDD-FXAWDEMLSA-N 3 1 324.472 2.920 20 0 DFADMP Cn1cnc(CC[NH2+][C@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)c1 ZINC000639256418 430590426 /nfs/dbraw/zinc/59/04/26/430590426.db2.gz ZHNZTDOZZDDXDD-FXAWDEMLSA-N 3 1 324.472 2.920 20 0 DFADMP CC[N@@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000643353314 430590617 /nfs/dbraw/zinc/59/06/17/430590617.db2.gz OZFKWXOVWGBIOZ-SFHVURJKSA-N 2 1 318.461 2.772 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)CC(C)C ZINC000639287252 430599555 /nfs/dbraw/zinc/59/95/55/430599555.db2.gz YAUZZGUYOJOYNH-QYZOEREBSA-N 2 1 304.478 2.983 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453311 430602505 /nfs/dbraw/zinc/60/25/05/430602505.db2.gz ZVHJUVHCSURSSX-KEYYUXOJSA-N 2 1 307.869 2.754 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[C@]3(CC[N@H+](C)C3)C2)c2ccccn21 ZINC000570456373 430544443 /nfs/dbraw/zinc/54/44/43/430544443.db2.gz VESDUMIBVPQZJM-IBGZPJMESA-N 2 1 312.461 2.985 20 0 DFADMP CC(C)c1[nH+]c(CN2CC[C@]3(CC[N@@H+](C)C3)C2)c2ccccn21 ZINC000570456373 430544446 /nfs/dbraw/zinc/54/44/46/430544446.db2.gz VESDUMIBVPQZJM-IBGZPJMESA-N 2 1 312.461 2.985 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C[C@@H]1CCC2(CCCC2)O1 ZINC000554825762 430652361 /nfs/dbraw/zinc/65/23/61/430652361.db2.gz ZLJYGRLVHUVXIK-XMTFNYHQSA-N 2 1 322.493 2.662 20 0 DFADMP C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cccc(-n3cccn3)c2)C1 ZINC000554885604 430654239 /nfs/dbraw/zinc/65/42/39/430654239.db2.gz CKAKBNQEKMTYGV-HKUYNNGSSA-N 2 1 310.445 2.788 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H]3CC(C)(C)CO3)C2)[nH+]1 ZINC000639495979 430654910 /nfs/dbraw/zinc/65/49/10/430654910.db2.gz LGFYHEFZGIXQAL-HZPDHXFCSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](C[C@H]3CC(C)(C)CO3)C2)[nH+]1 ZINC000639495979 430654914 /nfs/dbraw/zinc/65/49/14/430654914.db2.gz LGFYHEFZGIXQAL-HZPDHXFCSA-N 2 1 303.450 2.939 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000639511585 430659248 /nfs/dbraw/zinc/65/92/48/430659248.db2.gz NWZVQOZZDSKQGV-SFHVURJKSA-N 2 1 311.429 2.929 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000639511585 430659250 /nfs/dbraw/zinc/65/92/50/430659250.db2.gz NWZVQOZZDSKQGV-SFHVURJKSA-N 2 1 311.429 2.929 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCN(c2ccc(F)cc2F)C1)c1c[nH+]ccc1N ZINC000643462832 430604296 /nfs/dbraw/zinc/60/42/96/430604296.db2.gz MKCQOJVISLCGPX-WCQYABFASA-N 2 1 318.371 2.702 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H](C)[NH+]1CC(C)C1)c1ccsc1 ZINC000552980396 430604605 /nfs/dbraw/zinc/60/46/05/430604605.db2.gz ZBDBJTPJPZFLCN-ZBFHGGJFSA-N 2 1 323.506 2.587 20 0 DFADMP Cc1ccc(CC[NH2+]Cc2ccc(C[N@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000639308015 430604765 /nfs/dbraw/zinc/60/47/65/430604765.db2.gz JZLPKVJOOPOUQZ-OAQYLSRUSA-N 2 1 324.468 2.894 20 0 DFADMP C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21)[C@H]1CCC[NH2+]1 ZINC000643480440 430606859 /nfs/dbraw/zinc/60/68/59/430606859.db2.gz TWBWYKUCOLDXRF-AEEMCCEDSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@H](N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)[C@H]1CCC[NH2+]1 ZINC000643480441 430607194 /nfs/dbraw/zinc/60/71/94/430607194.db2.gz TWBWYKUCOLDXRF-LFAQGZIKSA-N 2 1 313.489 2.627 20 0 DFADMP C[C@@H]([NH2+]CC1([NH3+])CCCCC1)c1ccc2c(c1)CCC(=O)N2 ZINC000643496521 430609164 /nfs/dbraw/zinc/60/91/64/430609164.db2.gz VPMLFKFSQYILBS-CYBMUJFWSA-N 2 1 301.434 2.884 20 0 DFADMP Fc1ccc(N2CCC([NH2+]C[C@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC000643501492 430609766 /nfs/dbraw/zinc/60/97/66/430609766.db2.gz IVAMZKRHGBSVQL-OAHLLOKOSA-N 2 1 309.404 2.665 20 0 DFADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639326690 430611262 /nfs/dbraw/zinc/61/12/62/430611262.db2.gz DAEGQGDJSGETAJ-LESCRADOSA-N 2 1 300.446 2.858 20 0 DFADMP C[C@H](O)C1([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)CC1 ZINC000639326690 430611265 /nfs/dbraw/zinc/61/12/65/430611265.db2.gz DAEGQGDJSGETAJ-LESCRADOSA-N 2 1 300.446 2.858 20 0 DFADMP C[C@@]1(C[NH+]2CCC([N@H+]3CC[C@H](O)C3)CC2)C[C@H]1c1ccccc1 ZINC000639330509 430612509 /nfs/dbraw/zinc/61/25/09/430612509.db2.gz LFHIFRXEPLEQHD-UFYCRDLUSA-N 2 1 314.473 2.711 20 0 DFADMP COCCC[C@H]([NH2+]C[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000643526951 430613330 /nfs/dbraw/zinc/61/33/30/430613330.db2.gz BKXYGUZRIGKWJI-FZMZJTMJSA-N 2 1 315.255 2.854 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000643537072 430614967 /nfs/dbraw/zinc/61/49/67/430614967.db2.gz YSYHRMFMWFUNMF-KDOFPFPSSA-N 3 1 310.445 2.973 20 0 DFADMP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000643546839 430615847 /nfs/dbraw/zinc/61/58/47/430615847.db2.gz VSNKRWCIUYFSOL-GUYCJALGSA-N 2 1 301.434 2.970 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639351799 430618249 /nfs/dbraw/zinc/61/82/49/430618249.db2.gz AAEAFALFVOCCQL-SKWUIDRYSA-N 2 1 300.446 2.715 20 0 DFADMP O[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639351799 430618253 /nfs/dbraw/zinc/61/82/53/430618253.db2.gz AAEAFALFVOCCQL-SKWUIDRYSA-N 2 1 300.446 2.715 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000554095007 430627438 /nfs/dbraw/zinc/62/74/38/430627438.db2.gz ASSJIYBFUPLCMD-LWYYNNOASA-N 2 1 316.489 2.751 20 0 DFADMP C[C@@H]1CCCN(c2cc(NC[C@@H]3CC[N@H+](C4CC4)C3)ncn2)C1 ZINC000554211562 430630169 /nfs/dbraw/zinc/63/01/69/430630169.db2.gz ZVFRIHYPJNIJKW-CABCVRRESA-N 2 1 315.465 2.609 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCCNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000554213590 430630819 /nfs/dbraw/zinc/63/08/19/430630819.db2.gz DRXZLOFZBHJQFG-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000554213590 430630823 /nfs/dbraw/zinc/63/08/23/430630823.db2.gz DRXZLOFZBHJQFG-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP C[C@H]1CCCC[NH+]1CCCNC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000554213590 430630827 /nfs/dbraw/zinc/63/08/27/430630827.db2.gz DRXZLOFZBHJQFG-DLBZAZTESA-N 2 1 309.498 2.632 20 0 DFADMP CCOc1ccc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000571569302 430638669 /nfs/dbraw/zinc/63/86/69/430638669.db2.gz YMCFDWSKGTTWTC-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)cc1OC ZINC000571569302 430638672 /nfs/dbraw/zinc/63/86/72/430638672.db2.gz YMCFDWSKGTTWTC-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)cc1OC ZINC000571569302 430638674 /nfs/dbraw/zinc/63/86/74/430638674.db2.gz YMCFDWSKGTTWTC-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1ccc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC ZINC000571569302 430638677 /nfs/dbraw/zinc/63/86/77/430638677.db2.gz YMCFDWSKGTTWTC-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP c1csc(CC[NH2+]C2[C@@H]3C[C@H]2C[N@@H+](Cc2ccccc2)C3)n1 ZINC000643882766 430639353 /nfs/dbraw/zinc/63/93/53/430639353.db2.gz JFUDEVHMSQBQHC-BYICEURKSA-N 2 1 313.470 2.796 20 0 DFADMP c1csc(CC[NH2+]C2[C@@H]3C[C@H]2C[N@H+](Cc2ccccc2)C3)n1 ZINC000643882766 430639357 /nfs/dbraw/zinc/63/93/57/430639357.db2.gz JFUDEVHMSQBQHC-BYICEURKSA-N 2 1 313.470 2.796 20 0 DFADMP CC(C)[NH+]1CCN([C@@H]2CC[N@H+]([C@H]3C=CCCCCC3)C2)CC1 ZINC000555377748 430666342 /nfs/dbraw/zinc/66/63/42/430666342.db2.gz UOWPABCQAGVOJG-RBUKOAKNSA-N 2 1 305.510 2.976 20 0 DFADMP C[C@H]1OCC[C@@H]1C[NH+](C)[C@H]1CCC[N@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546953 430667786 /nfs/dbraw/zinc/66/77/86/430667786.db2.gz NKLZOXVAABMZAJ-ZRSRNVLSSA-N 2 1 324.509 2.623 20 0 DFADMP C[C@H]1OCC[C@@H]1C[NH+](C)[C@H]1CCC[N@@H+](C[C@H]2CCO[C@H]2C)CC1 ZINC000639546953 430667788 /nfs/dbraw/zinc/66/77/88/430667788.db2.gz NKLZOXVAABMZAJ-ZRSRNVLSSA-N 2 1 324.509 2.623 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCCC[C@@H]2O)CC1 ZINC000572044322 430669319 /nfs/dbraw/zinc/66/93/19/430669319.db2.gz DJHDURSKWWWYBX-RDJZCZTQSA-N 2 1 304.434 2.784 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]C[C@H]2CCc3ncnn32)cc1 ZINC000639567525 430673028 /nfs/dbraw/zinc/67/30/28/430673028.db2.gz SDDKLQKCQHGIMB-CXAGYDPISA-N 2 1 322.416 2.610 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(C(=O)OC)cc1 ZINC000556094036 430678887 /nfs/dbraw/zinc/67/88/87/430678887.db2.gz OPALQFZZWXGXBS-WMLDXEAASA-N 2 1 304.434 2.856 20 0 DFADMP C[C@@H]1OCC[C@H]1C[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000639614417 430681245 /nfs/dbraw/zinc/68/12/45/430681245.db2.gz CUUMBDHRNLQLSC-HOCLYGCPSA-N 2 1 303.450 2.824 20 0 DFADMP COc1ccc([C@@H]([NH2+][C@H]2CC[C@H](CO)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000572354905 430682995 /nfs/dbraw/zinc/68/29/95/430682995.db2.gz OWMNDGCPBSCSIL-OYSPMZIOSA-N 2 1 318.461 2.629 20 0 DFADMP COc1cccc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1OC ZINC000375508604 278010251 /nfs/dbraw/zinc/01/02/51/278010251.db2.gz UHFBIDJZVNEORK-UHFFFAOYSA-N 2 1 304.434 2.764 20 0 DFADMP Cc1cc(C)c(C[N@@H+]2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(C)n1 ZINC000639623307 430683466 /nfs/dbraw/zinc/68/34/66/430683466.db2.gz IYFUARCHFLAJQP-QAPCUYQASA-N 2 1 304.434 2.777 20 0 DFADMP Cc1cc(C)c(CN2C[C@@H](C)O[C@@]3(CCCOC3)C2)c(C)n1 ZINC000639623307 430683467 /nfs/dbraw/zinc/68/34/67/430683467.db2.gz IYFUARCHFLAJQP-QAPCUYQASA-N 2 1 304.434 2.777 20 0 DFADMP COc1cncc(/C=C\CC[N@@H+](C)C[C@@H]2CCC[NH+](C)C2)c1 ZINC000572359504 430683650 /nfs/dbraw/zinc/68/36/50/430683650.db2.gz KWYXPHRYFRBQLU-IMXKFXGHSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cncc(/C=C\CC[NH+](C)C[C@@H]2CCC[N@H+](C)C2)c1 ZINC000572359504 430683652 /nfs/dbraw/zinc/68/36/52/430683652.db2.gz KWYXPHRYFRBQLU-IMXKFXGHSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cncc(/C=C\CC[NH+](C)C[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000572359504 430683654 /nfs/dbraw/zinc/68/36/54/430683654.db2.gz KWYXPHRYFRBQLU-IMXKFXGHSA-N 2 1 303.450 2.767 20 0 DFADMP COc1cccc2c1CC[N@@H+](CC[C@H]1CCCC[NH+]1C)CC2 ZINC000373229981 278027911 /nfs/dbraw/zinc/02/79/11/278027911.db2.gz PMGFVGPBLMBHKF-QGZVFWFLSA-N 2 1 302.462 2.970 20 0 DFADMP COc1cccc2c1CC[NH+](CC[C@H]1CCCC[N@@H+]1C)CC2 ZINC000373229981 278027913 /nfs/dbraw/zinc/02/79/13/278027913.db2.gz PMGFVGPBLMBHKF-QGZVFWFLSA-N 2 1 302.462 2.970 20 0 DFADMP COc1cccc2c1CC[NH+](CC[C@H]1CCCC[N@H+]1C)CC2 ZINC000373229981 278027915 /nfs/dbraw/zinc/02/79/15/278027915.db2.gz PMGFVGPBLMBHKF-QGZVFWFLSA-N 2 1 302.462 2.970 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000572398903 430686118 /nfs/dbraw/zinc/68/61/18/430686118.db2.gz HTQZSTQHDNXJGF-HOCLYGCPSA-N 2 1 321.465 2.881 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+]1CC[C@H](C)[C@@H](C(=O)OC(C)(C)C)C1 ZINC000572398903 430686120 /nfs/dbraw/zinc/68/61/20/430686120.db2.gz HTQZSTQHDNXJGF-HOCLYGCPSA-N 2 1 321.465 2.881 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1N(C)Cc1cnc(-c2ccncc2)s1 ZINC000572409201 430686263 /nfs/dbraw/zinc/68/62/63/430686263.db2.gz CDTXEMALVIVJGE-CZUORRHYSA-N 2 1 316.474 2.977 20 0 DFADMP CSC[C@H](O)C[N@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000372303473 278137488 /nfs/dbraw/zinc/13/74/88/278137488.db2.gz XVEATERSRSGBRB-NXHRZFHOSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[N@@H+](C)[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000372303473 278137491 /nfs/dbraw/zinc/13/74/91/278137491.db2.gz XVEATERSRSGBRB-NXHRZFHOSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000372303473 278137492 /nfs/dbraw/zinc/13/74/92/278137492.db2.gz XVEATERSRSGBRB-NXHRZFHOSA-N 2 1 322.518 2.553 20 0 DFADMP CSC[C@H](O)C[NH+](C)[C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000372303473 278137494 /nfs/dbraw/zinc/13/74/94/278137494.db2.gz XVEATERSRSGBRB-NXHRZFHOSA-N 2 1 322.518 2.553 20 0 DFADMP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](Cc2cnccn2)CC3)cc1 ZINC000556773662 430692044 /nfs/dbraw/zinc/69/20/44/430692044.db2.gz ICPNTUZHUPKAMS-UHFFFAOYSA-N 2 1 322.456 2.965 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000572632430 430693275 /nfs/dbraw/zinc/69/32/75/430693275.db2.gz DVCMNJPVHDNFOW-QILLFSRXSA-N 2 1 306.425 2.507 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H]1CC[C@H](c2cccc(F)c2)C1)C1CC1 ZINC000572632430 430693276 /nfs/dbraw/zinc/69/32/76/430693276.db2.gz DVCMNJPVHDNFOW-QILLFSRXSA-N 2 1 306.425 2.507 20 0 DFADMP CC(C)[N@H+]1CC[C@H](C[NH2+]Cc2cn(C)nc2-c2cccs2)C1 ZINC000556938521 430696210 /nfs/dbraw/zinc/69/62/10/430696210.db2.gz CJJWZOJLASXPEN-CQSZACIVSA-N 2 1 318.490 2.969 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH2+][C@@H](C)C1(c2ccccc2)CCCC1 ZINC000572896581 430697913 /nfs/dbraw/zinc/69/79/13/430697913.db2.gz WVQRWXALRIXDEL-WMZOPIPTSA-N 2 1 304.478 2.789 20 0 DFADMP C[C@H]1CC[C@@H](C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)O1 ZINC000373699295 278377434 /nfs/dbraw/zinc/37/74/34/278377434.db2.gz IBANVXDHUBJGFH-YJBOKZPZSA-N 2 1 303.450 2.797 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000648180183 430700298 /nfs/dbraw/zinc/70/02/98/430700298.db2.gz BZTWQIATTKOVDW-CYBMUJFWSA-N 2 1 300.406 2.802 20 0 DFADMP O[C@H]1C[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000657705456 430712453 /nfs/dbraw/zinc/71/24/53/430712453.db2.gz YUKZKPDRRCERQH-MSOLQXFVSA-N 2 1 300.446 2.544 20 0 DFADMP COc1ccccc1/C=C\C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000657751340 430724892 /nfs/dbraw/zinc/72/48/92/430724892.db2.gz QMKJZQSVMIAWID-SUZKBHRPSA-N 2 1 316.445 2.551 20 0 DFADMP c1cc2c(c(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)c1)CCC2 ZINC000657753154 430724947 /nfs/dbraw/zinc/72/49/47/430724947.db2.gz UPXWOHAAMVEHHT-SFHVURJKSA-N 2 1 300.446 2.518 20 0 DFADMP C[C@@H](Cc1cnccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000651210932 430737347 /nfs/dbraw/zinc/73/73/47/430737347.db2.gz ADTDTWGWXDDDHF-PKOBYXMFSA-N 2 1 324.472 2.909 20 0 DFADMP C[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000644519194 430741629 /nfs/dbraw/zinc/74/16/29/430741629.db2.gz GIHAKPGFWYDJLV-DOTOQJQBSA-N 2 1 318.486 2.762 20 0 DFADMP C[C@@H](Cc1cccs1)[NH2+]C[C@@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000644519194 430741636 /nfs/dbraw/zinc/74/16/36/430741636.db2.gz GIHAKPGFWYDJLV-DOTOQJQBSA-N 2 1 318.486 2.762 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1 ZINC000657803798 430741725 /nfs/dbraw/zinc/74/17/25/430741725.db2.gz SUOGNNCCKRPARE-IBGZPJMESA-N 2 1 318.461 2.566 20 0 DFADMP COC1([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000657823549 430746413 /nfs/dbraw/zinc/74/64/13/430746413.db2.gz MSPAHQKMEDIPNO-INIZCTEOSA-N 2 1 318.461 2.566 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+][C@@H]2CCCSCC2)c1 ZINC000657822775 430746445 /nfs/dbraw/zinc/74/64/45/430746445.db2.gz AZYMINNCIOWNMD-GOSISDBHSA-N 2 1 320.502 2.894 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC[N@H+]1C ZINC000644574918 430756232 /nfs/dbraw/zinc/75/62/32/430756232.db2.gz KDNUJJDILLKIGT-IUODEOHRSA-N 2 1 309.841 2.741 20 0 DFADMP CCn1nnc(C)c1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000648357845 430758582 /nfs/dbraw/zinc/75/85/82/430758582.db2.gz YMKJOKFLYQHVKR-UHFFFAOYSA-N 2 1 319.497 2.694 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C1CCC(C)(c2ccccc2)CC1)C1CC1 ZINC000644601971 430766896 /nfs/dbraw/zinc/76/68/96/430766896.db2.gz FOBCLPMYYJWAAZ-SKINQDTJSA-N 2 1 316.489 2.932 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C1CCC(C)(c2ccccc2)CC1)C1CC1 ZINC000644601971 430766902 /nfs/dbraw/zinc/76/69/02/430766902.db2.gz FOBCLPMYYJWAAZ-SKINQDTJSA-N 2 1 316.489 2.932 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCc1cccs1 ZINC000644612343 430768261 /nfs/dbraw/zinc/76/82/61/430768261.db2.gz TWTGOFNNFWOHOF-KRWDZBQOSA-N 2 1 318.486 2.763 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@@H](O)C[NH2+]CCCc1cccs1 ZINC000644612343 430768267 /nfs/dbraw/zinc/76/82/67/430768267.db2.gz TWTGOFNNFWOHOF-KRWDZBQOSA-N 2 1 318.486 2.763 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(C)(C)C1CC1 ZINC000644654794 430779916 /nfs/dbraw/zinc/77/99/16/430779916.db2.gz DCPYOCLWQMFSSH-GOSISDBHSA-N 2 1 304.478 2.895 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]CCC(C)(C)C1CC1 ZINC000644654794 430779920 /nfs/dbraw/zinc/77/99/20/430779920.db2.gz DCPYOCLWQMFSSH-GOSISDBHSA-N 2 1 304.478 2.895 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccnc2N2CCCC2)[C@@H](C)C1 ZINC000658100926 430811674 /nfs/dbraw/zinc/81/16/74/430811674.db2.gz MCCNYVYNQTWGBY-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2cccnc2N2CCCC2)[C@@H](C)C1 ZINC000658100926 430811675 /nfs/dbraw/zinc/81/16/75/430811675.db2.gz MCCNYVYNQTWGBY-DOTOQJQBSA-N 2 1 302.466 2.502 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)C1 ZINC000658134346 430820307 /nfs/dbraw/zinc/82/03/07/430820307.db2.gz AKJPYQBCHXMBSA-VAMGGRTRSA-N 2 1 314.473 2.922 20 0 DFADMP CC1(C)CC[C@@H]([NH2+]Cc2ccc(C[N@H+]3CC[C@H](O)C3)cc2)C1 ZINC000658136620 430820518 /nfs/dbraw/zinc/82/05/18/430820518.db2.gz HNZGVVQAMZWOAW-MSOLQXFVSA-N 2 1 302.462 2.922 20 0 DFADMP CC[C@@H]1CCC[C@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658136221 430820617 /nfs/dbraw/zinc/82/06/17/430820617.db2.gz CIZLFJYQXHJIGD-GUDVDZBRSA-N 2 1 302.462 2.922 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@@H]1C[C@@H]1C ZINC000658135295 430820658 /nfs/dbraw/zinc/82/06/58/430820658.db2.gz CZLKIXKVHGPKHA-FZDIXFNVSA-N 2 1 302.462 2.777 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)C1 ZINC000658134344 430820854 /nfs/dbraw/zinc/82/08/54/430820854.db2.gz AKJPYQBCHXMBSA-HSALFYBXSA-N 2 1 314.473 2.922 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC34CCC4)cc2)C1 ZINC000658136521 430821280 /nfs/dbraw/zinc/82/12/80/430821280.db2.gz HKEPRKREIOWQED-MSOLQXFVSA-N 2 1 300.446 2.676 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)c1ccoc1 ZINC000658136120 430821429 /nfs/dbraw/zinc/82/14/29/430821429.db2.gz BQSMKLDTZIAQDN-RDTXWAMCSA-N 2 1 300.402 2.697 20 0 DFADMP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)C1CC1 ZINC000658139902 430823140 /nfs/dbraw/zinc/82/31/40/430823140.db2.gz NZGSJBWPMHILRD-RTBURBONSA-N 2 1 302.462 2.777 20 0 DFADMP C[C@H](CC1CCC1)[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658141281 430824212 /nfs/dbraw/zinc/82/42/12/430824212.db2.gz SMBSHPWQXPMMCP-DNVCBOLYSA-N 2 1 302.462 2.922 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1 ZINC000658142860 430824403 /nfs/dbraw/zinc/82/44/03/430824403.db2.gz FCAHAWYLZRYZJP-LZQZEXGQSA-N 2 1 302.462 2.922 20 0 DFADMP CC[N@@H+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)C[C@H]1C ZINC000651637666 430837265 /nfs/dbraw/zinc/83/72/65/430837265.db2.gz YXUQSTJSVVYAJA-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP CC[N@H+]1CCN(Cc2[nH+]c(C(C)C)n3ccccc23)C[C@H]1C ZINC000651637666 430837268 /nfs/dbraw/zinc/83/72/68/430837268.db2.gz YXUQSTJSVVYAJA-OAHLLOKOSA-N 2 1 300.450 2.984 20 0 DFADMP Fc1cc2c(c(F)c1F)[C@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000648442442 430788576 /nfs/dbraw/zinc/78/85/76/430788576.db2.gz ZSKMQENVMSPDLS-CMPLNLGQSA-N 2 1 307.319 2.892 20 0 DFADMP CCCc1nc(C)c(C[N@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000644686244 430791163 /nfs/dbraw/zinc/79/11/63/430791163.db2.gz PPRAXQFGZTZNES-AWEZNQCLSA-N 2 1 302.422 2.826 20 0 DFADMP CCCc1nc(C)c(C[N@@H+](C)C[C@@H]2CCc3[nH+]ccn3C2)o1 ZINC000644686244 430791167 /nfs/dbraw/zinc/79/11/67/430791167.db2.gz PPRAXQFGZTZNES-AWEZNQCLSA-N 2 1 302.422 2.826 20 0 DFADMP CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCO1 ZINC000648446150 430791786 /nfs/dbraw/zinc/79/17/86/430791786.db2.gz FIXNHYAYBAEYID-GVDBMIGSSA-N 2 1 318.465 2.609 20 0 DFADMP CC(C)CN1Cc2cccc(NC(=O)[C@@H](C)N3CC(C)C3)c2C1 ZINC000654931788 430845583 /nfs/dbraw/zinc/84/55/83/430845583.db2.gz YTBDCVOIYQPAML-OAHLLOKOSA-N 2 1 315.461 2.937 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000648782667 430888900 /nfs/dbraw/zinc/88/89/00/430888900.db2.gz XKHHZNIWCRQMLX-OAHLLOKOSA-N 2 1 320.481 2.587 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)CC1CC1 ZINC000658246678 430850464 /nfs/dbraw/zinc/85/04/64/430850464.db2.gz FVIDEUHKXOLOOC-AHRSYUTCSA-N 2 1 316.489 2.895 20 0 DFADMP CCC[N@@H+]1CC[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286534 430863426 /nfs/dbraw/zinc/86/34/26/430863426.db2.gz AMIRRWAXVYNKMZ-WMZOPIPTSA-N 2 1 319.493 2.762 20 0 DFADMP CCC[N@H+]1CC[C@H](N[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000658286534 430863429 /nfs/dbraw/zinc/86/34/29/430863429.db2.gz AMIRRWAXVYNKMZ-WMZOPIPTSA-N 2 1 319.493 2.762 20 0 DFADMP C[C@@H]1CC[NH+](C/C=C/C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661850638 430864614 /nfs/dbraw/zinc/86/46/14/430864614.db2.gz LTNDWJBNTOOTNX-XMURRGPJSA-N 2 1 310.482 2.541 20 0 DFADMP FC(F)(F)[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)OC1CCCC1 ZINC000665238052 430864681 /nfs/dbraw/zinc/86/46/81/430864681.db2.gz PIWZCKIOMCKSID-BRZZBQFESA-N 2 1 306.372 2.749 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000648717361 430867845 /nfs/dbraw/zinc/86/78/45/430867845.db2.gz VKGPMNQQAADUSG-JKSUJKDBSA-N 2 1 320.481 2.777 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000648717361 430867848 /nfs/dbraw/zinc/86/78/48/430867848.db2.gz VKGPMNQQAADUSG-JKSUJKDBSA-N 2 1 320.481 2.777 20 0 DFADMP C[C@H]1[C@H](NCC2([NH3+])CCCC2)CCC[N@@H+]1Cc1ccccc1 ZINC000665247003 430868485 /nfs/dbraw/zinc/86/84/85/430868485.db2.gz SXUOURINBSFMJT-FUHWJXTLSA-N 2 1 301.478 2.901 20 0 DFADMP C[C@H]1[C@H](NCC2([NH3+])CCCC2)CCC[N@H+]1Cc1ccccc1 ZINC000665247003 430868489 /nfs/dbraw/zinc/86/84/89/430868489.db2.gz SXUOURINBSFMJT-FUHWJXTLSA-N 2 1 301.478 2.901 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000648718885 430868567 /nfs/dbraw/zinc/86/85/67/430868567.db2.gz JOLPQNUHTYMJAD-OAHLLOKOSA-N 2 1 308.470 2.632 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000648733646 430873115 /nfs/dbraw/zinc/87/31/15/430873115.db2.gz BOWIUWQQLAHHIQ-BZUAXINKSA-N 2 1 320.481 2.776 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+]1CCCC[C@H]1C ZINC000648733646 430873121 /nfs/dbraw/zinc/87/31/21/430873121.db2.gz BOWIUWQQLAHHIQ-BZUAXINKSA-N 2 1 320.481 2.776 20 0 DFADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CCCCC1 ZINC000658307569 430873264 /nfs/dbraw/zinc/87/32/64/430873264.db2.gz LLSHMSCKATWIJA-GVDBMIGSSA-N 2 1 321.509 2.535 20 0 DFADMP COCCC[C@@H](C)[NH2+][C@@H]1C[NH2+]CC[C@@H]1c1ccc(OC)cc1 ZINC000665256011 430873558 /nfs/dbraw/zinc/87/35/58/430873558.db2.gz LLXGAXDWYRGXPX-ZTFGCOKTSA-N 2 1 306.450 2.545 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000648734499 430873591 /nfs/dbraw/zinc/87/35/91/430873591.db2.gz NUNXBJPDKFMXSG-BZUAXINKSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000648734499 430873593 /nfs/dbraw/zinc/87/35/93/430873593.db2.gz NUNXBJPDKFMXSG-BZUAXINKSA-N 2 1 320.481 2.633 20 0 DFADMP COc1cc(OC)c(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000651778920 430873785 /nfs/dbraw/zinc/87/37/85/430873785.db2.gz NRIVVFKQSYFBJD-UHFFFAOYSA-N 2 1 322.424 2.903 20 0 DFADMP COc1cc(OC)c(C[N@H+]2CCCC23CC[NH+](C)CC3)cc1F ZINC000651778920 430873789 /nfs/dbraw/zinc/87/37/89/430873789.db2.gz NRIVVFKQSYFBJD-UHFFFAOYSA-N 2 1 322.424 2.903 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000648746528 430877048 /nfs/dbraw/zinc/87/70/48/430877048.db2.gz DUXIAXMVCULGRF-OWCLPIDISA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N[C@@H](C)C[N@H+]1CCC[C@@H](C)C1 ZINC000648746528 430877051 /nfs/dbraw/zinc/87/70/51/430877051.db2.gz DUXIAXMVCULGRF-OWCLPIDISA-N 2 1 320.481 2.633 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]1NC[C@H]1C[N@@H+](Cc2ccccc2)CC12CCC2 ZINC000665277238 430879427 /nfs/dbraw/zinc/87/94/27/430879427.db2.gz XERGCUJGLPMFGV-IPMKNSEASA-N 3 1 313.489 2.758 20 0 DFADMP COc1cccc(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)c1C ZINC000658346129 430881822 /nfs/dbraw/zinc/88/18/22/430881822.db2.gz CVNRNTYUJBJKOS-GOSISDBHSA-N 2 1 318.461 2.737 20 0 DFADMP COc1ccc(-c2cc(CN[C@H]3CC[N@@H+](C)[C@H](C)C3)on2)cc1 ZINC000658188263 430837685 /nfs/dbraw/zinc/83/76/85/430837685.db2.gz PSTRJINQDIGENX-HIFRSBDPSA-N 2 1 315.417 2.923 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2cnccc2o1 ZINC000651651426 430840720 /nfs/dbraw/zinc/84/07/20/430840720.db2.gz YFJBJWGDPVEQOE-QGPMSJSTSA-N 2 1 315.417 2.511 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2Cc1cc2cnccc2o1 ZINC000651651426 430840725 /nfs/dbraw/zinc/84/07/25/430840725.db2.gz YFJBJWGDPVEQOE-QGPMSJSTSA-N 2 1 315.417 2.511 20 0 DFADMP COc1cc(OC)c(C[NH2+]CCCC[N@@H+](C)C2CC2)cc1F ZINC000651827756 430889851 /nfs/dbraw/zinc/88/98/51/430889851.db2.gz MPZXPDWHJSIFRZ-UHFFFAOYSA-N 2 1 310.413 2.807 20 0 DFADMP C([NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299638 430891018 /nfs/dbraw/zinc/89/10/18/430891018.db2.gz QRPZPNGGUNSYNE-YDZRNGNQSA-N 3 1 305.510 2.619 20 0 DFADMP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000665299638 430891023 /nfs/dbraw/zinc/89/10/23/430891023.db2.gz QRPZPNGGUNSYNE-YDZRNGNQSA-N 2 1 305.510 2.619 20 0 DFADMP C(N[C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000665299638 430891027 /nfs/dbraw/zinc/89/10/27/430891027.db2.gz QRPZPNGGUNSYNE-YDZRNGNQSA-N 2 1 305.510 2.619 20 0 DFADMP CCCc1ncc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)o1 ZINC000648790066 430893764 /nfs/dbraw/zinc/89/37/64/430893764.db2.gz DOPJBICAPLUGEV-UHFFFAOYSA-N 2 1 317.433 2.857 20 0 DFADMP CC(C)C[N@H+](C)CCC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000651866382 430898435 /nfs/dbraw/zinc/89/84/35/430898435.db2.gz CBNNLYUSSBHRGI-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]Cc1ccccc1N1CCOCC1 ZINC000651866382 430898439 /nfs/dbraw/zinc/89/84/39/430898439.db2.gz CBNNLYUSSBHRGI-UHFFFAOYSA-N 2 1 319.493 2.591 20 0 DFADMP CC(C)C[N@@H+](C)CCC[NH2+]C1CCN(c2ccccn2)CC1 ZINC000651866218 430899140 /nfs/dbraw/zinc/89/91/40/430899140.db2.gz ZMQJAFQFZXXQJR-UHFFFAOYSA-N 2 1 304.482 2.618 20 0 DFADMP C[NH+](C)CCOc1ccc(C[N@H+]2CCC[C@@]3(CCOC3)C2)cc1 ZINC000648814370 430900771 /nfs/dbraw/zinc/90/07/71/430900771.db2.gz KANABCZAIXVAKD-LJQANCHMSA-N 2 1 318.461 2.630 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C ZINC000648833194 430907157 /nfs/dbraw/zinc/90/71/57/430907157.db2.gz BBPHTHPLIAKKNA-NVXWUHKLSA-N 2 1 315.461 2.870 20 0 DFADMP CC[N@@H+](CCC[NH2+][C@H]1CCC(=O)NC1(C)C)C1CCCCC1 ZINC000651910462 430913583 /nfs/dbraw/zinc/91/35/83/430913583.db2.gz UTZJDSLULBXHIN-INIZCTEOSA-N 2 1 309.498 2.678 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CO1 ZINC000651930761 430917375 /nfs/dbraw/zinc/91/73/75/430917375.db2.gz CAHJZMKDIGZXDF-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)[C@H](C)CO1 ZINC000651930761 430917380 /nfs/dbraw/zinc/91/73/80/430917380.db2.gz CAHJZMKDIGZXDF-WBVHZDCISA-N 2 1 306.450 2.626 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000648876213 430921472 /nfs/dbraw/zinc/92/14/72/430921472.db2.gz RWROTBOHYJAIQM-MRXNPFEDSA-N 2 1 320.481 2.731 20 0 DFADMP CCc1nccn1[C@@H](C)CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000648885969 430925452 /nfs/dbraw/zinc/92/54/52/430925452.db2.gz ZDGIULBWFKFMIZ-GJZGRUSLSA-N 2 1 320.481 2.633 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC[C@@H]1[N@@H+](C)CCCC1(C)C ZINC000648885969 430925459 /nfs/dbraw/zinc/92/54/59/430925459.db2.gz ZDGIULBWFKFMIZ-GJZGRUSLSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)(C)[N@H+]1CC[C@H](CNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000659021032 430942061 /nfs/dbraw/zinc/94/20/61/430942061.db2.gz AKPZENGQPZAFJO-CYBMUJFWSA-N 2 1 316.449 2.532 20 0 DFADMP CC(C)C[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)c1ccc(F)cc1 ZINC000652143220 430971662 /nfs/dbraw/zinc/97/16/62/430971662.db2.gz SJGFMHCAPTUYHQ-QZTJIDSGSA-N 2 1 308.441 2.959 20 0 DFADMP O=C(N[C@@H]1CCC[N@H+]2CCCC[C@@H]12)[C@H]1CCC[NH+]1C1CCCC1 ZINC000655353277 430973999 /nfs/dbraw/zinc/97/39/99/430973999.db2.gz SLUVHIDUZWIBGP-FGTMMUONSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000655353277 430974005 /nfs/dbraw/zinc/97/40/05/430974005.db2.gz SLUVHIDUZWIBGP-FGTMMUONSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@@H]1CCC[NH+]2CCCC[C@@H]12)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000655353277 430974009 /nfs/dbraw/zinc/97/40/09/430974009.db2.gz SLUVHIDUZWIBGP-FGTMMUONSA-N 2 1 319.493 2.527 20 0 DFADMP O[C@@H]1CC[N@@H+](C2CC[NH+](Cc3ccccc3C3CC3)CC2)C1 ZINC000662147388 430978620 /nfs/dbraw/zinc/97/86/20/430978620.db2.gz FNPLCLRDFBPPGZ-GOSISDBHSA-N 2 1 300.446 2.595 20 0 DFADMP O[C@@H]1CC[N@H+](C2CC[NH+](Cc3ccccc3C3CC3)CC2)C1 ZINC000662147388 430978624 /nfs/dbraw/zinc/97/86/24/430978624.db2.gz FNPLCLRDFBPPGZ-GOSISDBHSA-N 2 1 300.446 2.595 20 0 DFADMP O[C@H]1CC[N@H+](C2CCN(Cc3ccc(C(F)F)cc3)CC2)C1 ZINC000662153021 430979175 /nfs/dbraw/zinc/97/91/75/430979175.db2.gz MDKHGVCJDIYLEF-INIZCTEOSA-N 2 1 310.388 2.655 20 0 DFADMP C[C@H](c1ccccc1Cl)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662154422 430980414 /nfs/dbraw/zinc/98/04/14/430980414.db2.gz FDJLJRKHRXQGRD-HIFRSBDPSA-N 2 1 308.853 2.932 20 0 DFADMP O[C@@H]1CC[N@H+](C2CCN([C@@H]3CCCc4ccc(F)cc43)CC2)C1 ZINC000662154540 430980984 /nfs/dbraw/zinc/98/09/84/430980984.db2.gz XTJMIXYIIOMDKU-IEBWSBKVSA-N 2 1 318.436 2.734 20 0 DFADMP Cc1cc(Cl)ccc1CN1CCC([N@H+]2CC[C@@H](O)C2)CC1 ZINC000662152732 430981469 /nfs/dbraw/zinc/98/14/69/430981469.db2.gz YKTSNWXAYFZUCJ-QGZVFWFLSA-N 2 1 308.853 2.679 20 0 DFADMP CN(C)c1cc(NC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc[nH+]1 ZINC000659285644 431011740 /nfs/dbraw/zinc/01/17/40/431011740.db2.gz PIGUUSZLHQJZLQ-HNNXBMFYSA-N 2 1 324.428 2.779 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC[N@H+]1C ZINC000652315502 431019936 /nfs/dbraw/zinc/01/99/36/431019936.db2.gz WRQCQKNTIDEZAD-WCQYABFASA-N 2 1 312.360 2.623 20 0 DFADMP c1cc(C[N@H+]2CCC[C@]3(CCCOC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662258200 431020251 /nfs/dbraw/zinc/02/02/51/431020251.db2.gz XXABNEJLRNDKRV-IBGZPJMESA-N 2 1 300.446 2.725 20 0 DFADMP C[C@@H]1C[C@H](c2cccc(F)c2)[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000662256597 431020404 /nfs/dbraw/zinc/02/04/04/431020404.db2.gz WSQBBNGYUKYCSR-KBRIMQKVSA-N 2 1 304.409 2.730 20 0 DFADMP CCc1nc(C)c([C@H](C)[N@@H+](C)C[C@H]2CCC3(C[NH2+]C3)O2)s1 ZINC000662262044 431021000 /nfs/dbraw/zinc/02/10/00/431021000.db2.gz DATFCFLYKRJOHE-QWHCGFSZSA-N 2 1 309.479 2.528 20 0 DFADMP CC[C@H]1CN2CCCC[C@H]2C[N@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662266178 431021694 /nfs/dbraw/zinc/02/16/94/431021694.db2.gz YSQCWHMPZRUSES-OALUTQOASA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1C[N@@H+]2CCCC[C@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662266178 431021700 /nfs/dbraw/zinc/02/17/00/431021700.db2.gz YSQCWHMPZRUSES-OALUTQOASA-N 2 1 313.489 2.781 20 0 DFADMP CC[C@H]1C[N@H+]2CCCC[C@H]2CN1Cc1cccc2c1CC[NH2+]C2 ZINC000662266178 431021704 /nfs/dbraw/zinc/02/17/04/431021704.db2.gz YSQCWHMPZRUSES-OALUTQOASA-N 2 1 313.489 2.781 20 0 DFADMP CN1CC[N@@H+](Cc2cccc3c2CC[NH2+]C3)Cc2ccccc21 ZINC000662262540 431022133 /nfs/dbraw/zinc/02/21/33/431022133.db2.gz WFDBZBNAHMFRRL-UHFFFAOYSA-N 2 1 307.441 2.784 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2)C1CCCCC1 ZINC000655484869 431024838 /nfs/dbraw/zinc/02/48/38/431024838.db2.gz ZIVSXZNUNCYLCD-HKUYNNGSSA-N 2 1 321.509 2.537 20 0 DFADMP C[NH2+]C[C@@](C)(O)C[N@@H+]1Cc2ccccc2[C@@H](c2ccccc2)C1 ZINC000652336863 431024878 /nfs/dbraw/zinc/02/48/78/431024878.db2.gz IJRLXBGAEFAUOY-WOJBJXKFSA-N 2 1 310.441 2.605 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@H]([C@H]3CCC[NH2+]C3)C1)C[NH2+]CC2 ZINC000652340859 431025428 /nfs/dbraw/zinc/02/54/28/431025428.db2.gz JRSYSIYUVVZUIX-OALUTQOASA-N 3 1 313.489 2.544 20 0 DFADMP CC[C@H]1C[N@@H+](CCc2ccc3c(c2)OC(F)(F)O3)CC[C@H]1[NH3+] ZINC000662272129 431027266 /nfs/dbraw/zinc/02/72/66/431027266.db2.gz KJSGIWZMGFZWTJ-QWHCGFSZSA-N 2 1 312.360 2.610 20 0 DFADMP Cc1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000652348940 431027456 /nfs/dbraw/zinc/02/74/56/431027456.db2.gz WKZDRGBEZMUSOW-IPMKNSEASA-N 2 1 302.462 2.756 20 0 DFADMP Cc1ccc(CC[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000652348939 431028062 /nfs/dbraw/zinc/02/80/62/431028062.db2.gz WKZDRGBEZMUSOW-GBESFXJTSA-N 2 1 302.462 2.756 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352584 431028548 /nfs/dbraw/zinc/02/85/48/431028548.db2.gz BNXOPWQOOVBCQG-QOKNQOGYSA-N 2 1 315.461 2.637 20 0 DFADMP CCc1ccccc1NC(=O)[C@H](C)[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000652352584 431028555 /nfs/dbraw/zinc/02/85/55/431028555.db2.gz BNXOPWQOOVBCQG-QOKNQOGYSA-N 2 1 315.461 2.637 20 0 DFADMP CCC(C)(C)[NH+]1CCN(C(=O)[C@H]([NH3+])c2cccc(Cl)c2)CC1 ZINC000655493311 431029152 /nfs/dbraw/zinc/02/91/52/431029152.db2.gz FKNRJRLNOAHLQG-OAHLLOKOSA-N 2 1 323.868 2.673 20 0 DFADMP COc1cccc(C[N@@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1Cl ZINC000662274777 431029257 /nfs/dbraw/zinc/02/92/57/431029257.db2.gz WZDUENXULYSDDI-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP COc1cccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)c1Cl ZINC000662274777 431029263 /nfs/dbraw/zinc/02/92/63/431029263.db2.gz WZDUENXULYSDDI-AWEZNQCLSA-N 2 1 324.852 2.536 20 0 DFADMP COc1cccc(SCC[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000662275582 431029744 /nfs/dbraw/zinc/02/97/44/431029744.db2.gz CHLUPBUBQOGYGE-QGZVFWFLSA-N 2 1 306.475 2.863 20 0 DFADMP COc1cccc(SCC[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c1 ZINC000662275582 431029748 /nfs/dbraw/zinc/02/97/48/431029748.db2.gz CHLUPBUBQOGYGE-QGZVFWFLSA-N 2 1 306.475 2.863 20 0 DFADMP CCO[C@@H]1C[N@@H+](CCOc2cccc3ccccc32)C[C@H]1C[NH3+] ZINC000652356859 431030036 /nfs/dbraw/zinc/03/00/36/431030036.db2.gz LVCSVRLJKWHNDB-VQIMIIECSA-N 2 1 314.429 2.514 20 0 DFADMP C[C@@H]1CCC[N@H+](CC(=O)NCCC2CCCCC2)[C@@H]1CC[NH3+] ZINC000652354931 431030449 /nfs/dbraw/zinc/03/04/49/431030449.db2.gz KRWQFQZQLSIICU-NVXWUHKLSA-N 2 1 309.498 2.522 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NCCC2CCCCC2)[C@@H]1CC[NH3+] ZINC000652354931 431030453 /nfs/dbraw/zinc/03/04/53/431030453.db2.gz KRWQFQZQLSIICU-NVXWUHKLSA-N 2 1 309.498 2.522 20 0 DFADMP COc1ccc(CC[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1 ZINC000652360977 431032274 /nfs/dbraw/zinc/03/22/74/431032274.db2.gz VMNXNIQTDFXSSP-QXAKKESOSA-N 2 1 318.461 2.599 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](CCc1nsc3ccccc31)C2 ZINC000662284372 431032489 /nfs/dbraw/zinc/03/24/89/431032489.db2.gz HCTKAEQHGVTWQL-GUYCJALGSA-N 2 1 301.459 2.900 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000652364147 431033300 /nfs/dbraw/zinc/03/33/00/431033300.db2.gz ZLZVKNQIUIXLLL-RCCFBDPRSA-N 2 1 303.450 2.559 20 0 DFADMP COc1ccc(OCC[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294221 431034337 /nfs/dbraw/zinc/03/43/37/431034337.db2.gz JQGQEXJEYQTJJU-KRWDZBQOSA-N 2 1 318.461 2.786 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662294888 431035363 /nfs/dbraw/zinc/03/53/63/431035363.db2.gz GJZVCWAKAODJHR-IRXDYDNUSA-N 2 1 300.446 2.961 20 0 DFADMP Cc1cccc(C)c1[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662294889 431035393 /nfs/dbraw/zinc/03/53/93/431035393.db2.gz GJZVCWAKAODJHR-SJORKVTESA-N 2 1 300.446 2.961 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccccc1 ZINC000662294108 431035826 /nfs/dbraw/zinc/03/58/26/431035826.db2.gz OZHLBJVWBKDUQE-QGZVFWFLSA-N 2 1 315.461 2.727 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@@H]2C[C@H]([NH3+])CCO2)C1)c1ccccc1 ZINC000662286208 431035983 /nfs/dbraw/zinc/03/59/83/431035983.db2.gz POYUNBFUUTWTOR-ZSYWTGECSA-N 2 1 318.461 2.592 20 0 DFADMP Fc1ccccc1C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662286961 431036503 /nfs/dbraw/zinc/03/65/03/431036503.db2.gz VFQGQVMPMJZWAH-IRXDYDNUSA-N 2 1 318.436 2.744 20 0 DFADMP c1cc(-c2noc(C[N@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)co1 ZINC000662298650 431036924 /nfs/dbraw/zinc/03/69/24/431036924.db2.gz WNJQOZIFYNYKEF-CQSZACIVSA-N 2 1 316.405 2.541 20 0 DFADMP C[C@H](C1CC1)N(C(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCC[NH3+])C1CC1 ZINC000662316414 431043333 /nfs/dbraw/zinc/04/33/33/431043333.db2.gz WLUKZHSVPQCNBK-IIDMSEBBSA-N 2 1 321.509 2.615 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCOCC(F)(F)C(F)F)[C@@H]1CCC[NH3+] ZINC000662314448 431043698 /nfs/dbraw/zinc/04/36/98/431043698.db2.gz DJNQCULZLKWNOG-VXGBXAGGSA-N 2 1 314.367 2.743 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])cc1 ZINC000662313676 431044132 /nfs/dbraw/zinc/04/41/32/431044132.db2.gz VRUIROHZVYLZBN-NVXWUHKLSA-N 2 1 303.450 2.773 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321475 431046232 /nfs/dbraw/zinc/04/62/32/431046232.db2.gz JDBBHBBUAIHRBD-KURKYZTESA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321475 431046237 /nfs/dbraw/zinc/04/62/37/431046237.db2.gz JDBBHBBUAIHRBD-KURKYZTESA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321474 431046570 /nfs/dbraw/zinc/04/65/70/431046570.db2.gz JDBBHBBUAIHRBD-FGTMMUONSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCC[N@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321474 431046573 /nfs/dbraw/zinc/04/65/73/431046573.db2.gz JDBBHBBUAIHRBD-FGTMMUONSA-N 2 1 312.498 2.624 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C[C@@H]2CCCCC2(F)F)CCO1 ZINC000662325750 431048164 /nfs/dbraw/zinc/04/81/64/431048164.db2.gz JKIXERGVCCFAEB-GJZGRUSLSA-N 2 1 304.425 2.855 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)[C@H]3C[C@@H]([NH3+])C3)cc2)C1 ZINC000649288294 431058577 /nfs/dbraw/zinc/05/85/77/431058577.db2.gz IZTORSVTYXIMIN-BMFZPTHFSA-N 2 1 301.434 2.594 20 0 DFADMP CC(C)[C@H]([NH3+])CC(=O)NCc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000649306892 431062413 /nfs/dbraw/zinc/06/24/13/431062413.db2.gz XHAQSLVLQILGOO-QGZVFWFLSA-N 2 1 305.466 2.516 20 0 DFADMP C[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[N@H+]1CCCC[C@H]1C ZINC000659291475 431013710 /nfs/dbraw/zinc/01/37/10/431013710.db2.gz GUEXDCUJDVMHGN-VKJFTORMSA-N 2 1 315.461 2.600 20 0 DFADMP C[NH2+]CC1CC[NH+](Cc2cc(F)ccc2OC(F)F)CC1 ZINC000662247745 431013739 /nfs/dbraw/zinc/01/37/39/431013739.db2.gz ZSECXWGMWPFMTN-UHFFFAOYSA-N 2 1 302.340 2.859 20 0 DFADMP CCC[N@@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)[C@H]1CCc2ccccc21 ZINC000662252263 431016691 /nfs/dbraw/zinc/01/66/91/431016691.db2.gz NFVSEMOGRPQWBL-WMZOPIPTSA-N 2 1 300.446 2.907 20 0 DFADMP CC[C@H](Cc1ccc(C)cc1)[N@@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662258316 431017832 /nfs/dbraw/zinc/01/78/32/431017832.db2.gz VSPYBNCKZHGAOQ-MSOLQXFVSA-N 2 1 302.462 2.769 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)CS1 ZINC000655750987 431112495 /nfs/dbraw/zinc/11/24/95/431112495.db2.gz ILEPVSCJTNOKLH-ZTFGCOKTSA-N 2 1 320.502 2.627 20 0 DFADMP Cn1c[nH+]c2cc(NC3CC[NH+](C[C@H]4CCCO4)CC3)ccc21 ZINC000655752560 431115665 /nfs/dbraw/zinc/11/56/65/431115665.db2.gz QGSPKXTXWXNUDK-MRXNPFEDSA-N 2 1 314.433 2.629 20 0 DFADMP c1cc(COc2ccc(C[NH2+]CCC[NH+]3CCC3)cc2)ccn1 ZINC000655755329 431116942 /nfs/dbraw/zinc/11/69/42/431116942.db2.gz YOMNEDBUHZNAKY-UHFFFAOYSA-N 2 1 311.429 2.846 20 0 DFADMP FC1(F)CCC(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655763555 431121929 /nfs/dbraw/zinc/12/19/29/431121929.db2.gz QATAVFNFMIKWQU-OAHLLOKOSA-N 2 1 302.409 2.655 20 0 DFADMP c1cc2cc(CC[NH2+]C3CC[NH+]([C@@H]4CCOC4)CC3)ccc2[nH]1 ZINC000655763782 431124401 /nfs/dbraw/zinc/12/44/01/431124401.db2.gz RVXPCWINAXOSER-GOSISDBHSA-N 2 1 313.445 2.553 20 0 DFADMP Fc1ccccc1CCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655764264 431124418 /nfs/dbraw/zinc/12/44/18/431124418.db2.gz FPPJXFGXIORPER-QGZVFWFLSA-N 2 1 306.425 2.601 20 0 DFADMP CC(C)C[C@H](C[NH3+])CC(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000662402450 431074135 /nfs/dbraw/zinc/07/41/35/431074135.db2.gz KGGOATLUQBTRAV-HOTGVXAUSA-N 2 1 311.514 2.624 20 0 DFADMP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CS1 ZINC000655683205 431080967 /nfs/dbraw/zinc/08/09/67/431080967.db2.gz PUEOOBOTXTWFKP-CRAIPNDOSA-N 2 1 320.502 2.893 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@H]2CC[C@H]([NH3+])C2)CC1 ZINC000649378332 431082767 /nfs/dbraw/zinc/08/27/67/431082767.db2.gz YHWZNJLOHNNTLQ-NJAFHUGGSA-N 2 1 321.509 2.617 20 0 DFADMP Cc1cccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)n1 ZINC000655766217 431125546 /nfs/dbraw/zinc/12/55/46/431125546.db2.gz BRICETDYDSPIRN-LJQANCHMSA-N 2 1 317.477 2.556 20 0 DFADMP Cc1cc2c(c(C)c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CC2 ZINC000655698886 431086330 /nfs/dbraw/zinc/08/63/30/431086330.db2.gz YXFXFCXJAFAZKG-GOSISDBHSA-N 2 1 302.462 2.727 20 0 DFADMP Fc1ccc(C2(C[NH2+]C3CC[NH+]([C@H]4CCOC4)CC3)CC2)cc1 ZINC000655695446 431086752 /nfs/dbraw/zinc/08/67/52/431086752.db2.gz XXUZWEIATYDDHC-SFHVURJKSA-N 2 1 318.436 2.700 20 0 DFADMP Cc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c(C)c1 ZINC000655700725 431090065 /nfs/dbraw/zinc/09/00/65/431090065.db2.gz OCTKKXGEBIEYRT-LJQANCHMSA-N 2 1 302.462 2.689 20 0 DFADMP CSc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCOC3)CC2)cc1 ZINC000655707002 431091888 /nfs/dbraw/zinc/09/18/88/431091888.db2.gz QKZIOFCERHCNOI-INIZCTEOSA-N 2 1 306.475 2.751 20 0 DFADMP C[C@@H](c1ccccc1Cl)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411728 431092677 /nfs/dbraw/zinc/09/26/77/431092677.db2.gz ZMYFUFSUTYSDGY-GJZGRUSLSA-N 2 1 307.869 2.628 20 0 DFADMP CCN(C[C@@H]1CC[NH2+]C1)[C@H]1CC[N@H+]([C@H](C)c2ccccc2)C1 ZINC000649411854 431093684 /nfs/dbraw/zinc/09/36/84/431093684.db2.gz JYBXDDNGRYZOPN-LMMKCTJWSA-N 2 1 301.478 2.753 20 0 DFADMP Fc1ccc(C[N@@H+](CCc2ccccn2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000649412105 431094119 /nfs/dbraw/zinc/09/41/19/431094119.db2.gz KYRHLYAVWXTXFT-QGZVFWFLSA-N 2 1 313.420 2.875 20 0 DFADMP CC(C)(C)c1csc([C@@H]2CCCC[N@@H+]2CCOCC[NH3+])n1 ZINC000649412233 431094452 /nfs/dbraw/zinc/09/44/52/431094452.db2.gz YOXMVJLANOBLAI-ZDUSSCGKSA-N 2 1 311.495 2.943 20 0 DFADMP CC(C)(C)c1csc([C@@H]2CCCC[N@H+]2CCOCC[NH3+])n1 ZINC000649412233 431094455 /nfs/dbraw/zinc/09/44/55/431094455.db2.gz YOXMVJLANOBLAI-ZDUSSCGKSA-N 2 1 311.495 2.943 20 0 DFADMP CCN(C(=O)C[NH2+]C(C)C)[C@@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1 ZINC000662503819 431098756 /nfs/dbraw/zinc/09/87/56/431098756.db2.gz XWWBWKUZLATXOL-FUHWJXTLSA-N 2 1 317.477 2.668 20 0 DFADMP Cc1nn(-c2ccc(C)cc2)cc1C[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000655723089 431102029 /nfs/dbraw/zinc/10/20/29/431102029.db2.gz HPMVTUMFBNTYTP-QGZVFWFLSA-N 2 1 321.428 2.790 20 0 DFADMP C[C@@H]([NH3+])c1ccc(C(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)cc1 ZINC000662592710 431126092 /nfs/dbraw/zinc/12/60/92/431126092.db2.gz JQDDROOEVZWUGL-ZIAGYGMSSA-N 2 1 303.450 2.557 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N ZINC000649450895 431105120 /nfs/dbraw/zinc/10/51/20/431105120.db2.gz BXQWCTZBDHOZDP-MAUKXSAKSA-N 2 1 310.445 2.664 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1cccnc1N ZINC000649450895 431105122 /nfs/dbraw/zinc/10/51/22/431105122.db2.gz BXQWCTZBDHOZDP-MAUKXSAKSA-N 2 1 310.445 2.664 20 0 DFADMP c1csc(CCC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)c1 ZINC000655735550 431106050 /nfs/dbraw/zinc/10/60/50/431106050.db2.gz JGWIQOYRMMUQGX-INIZCTEOSA-N 2 1 308.491 2.914 20 0 DFADMP Clc1ccccc1OCC[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655736329 431107129 /nfs/dbraw/zinc/10/71/29/431107129.db2.gz DIDSBQFQRVVAIX-OAHLLOKOSA-N 2 1 324.852 2.562 20 0 DFADMP CC(C)OC1CCC([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CC1 ZINC000655737801 431107167 /nfs/dbraw/zinc/10/71/67/431107167.db2.gz QKAVMLHDIRBFCW-NKELODKYSA-N 2 1 324.509 2.956 20 0 DFADMP C[N@@H+](CCCNC(=O)c1cccc2c1C[NH2+]C2)C1CCCCC1 ZINC000662526184 431107444 /nfs/dbraw/zinc/10/74/44/431107444.db2.gz UJKAZIOBMVAEGY-UHFFFAOYSA-N 2 1 315.461 2.674 20 0 DFADMP CC(C)(C)[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCO1 ZINC000655737641 431107668 /nfs/dbraw/zinc/10/76/68/431107668.db2.gz PVDKKPWFBFRIMN-KSZLIROESA-N 2 1 324.509 2.813 20 0 DFADMP COCC(C)(C)CCC[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655769121 431129061 /nfs/dbraw/zinc/12/90/61/431129061.db2.gz VTJHDMMXZMWBNK-QGZVFWFLSA-N 2 1 312.498 2.672 20 0 DFADMP c1cc2c(cccc2CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)[nH]1 ZINC000655764225 431126916 /nfs/dbraw/zinc/12/69/16/431126916.db2.gz XLFXCLIFWVRIGJ-QGZVFWFLSA-N 2 1 313.445 2.553 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)NCCC1CC[NH+](C)CC1)c1ccccc1 ZINC000103193300 279042739 /nfs/dbraw/zinc/04/27/39/279042739.db2.gz GEFRGBFSUHIMMZ-GOSISDBHSA-N 2 1 317.477 2.528 20 0 DFADMP c1ccc2c(c1)CC[C@H]2CC[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655771482 431127738 /nfs/dbraw/zinc/12/77/38/431127738.db2.gz LXTMMYZMRLOFRY-HKUYNNGSSA-N 2 1 314.473 2.949 20 0 DFADMP C([NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CCOC2(CCC2)C1 ZINC000655773314 431132622 /nfs/dbraw/zinc/13/26/22/431132622.db2.gz VLPOPUCGFYWOGA-WMZOPIPTSA-N 2 1 322.493 2.569 20 0 DFADMP CC[NH+](CC)[C@H](C(=O)N(C)CC[N@@H+](C)C1CC1)c1ccccc1 ZINC000186780986 279152558 /nfs/dbraw/zinc/15/25/58/279152558.db2.gz ZLUBYXSVKHNLLO-SFHVURJKSA-N 2 1 317.477 2.622 20 0 DFADMP C[C@@]1(C[N@H+]2CCC[C@H](c3cc(C(F)(F)F)n[nH]3)C2)CC[NH2+]C1 ZINC000261964158 279159441 /nfs/dbraw/zinc/15/94/41/279159441.db2.gz HOOLKLQDQGQYHS-SMDDNHRTSA-N 2 1 316.371 2.608 20 0 DFADMP CCN(CCC[NH+]1CCCC1)C(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000357116434 279180193 /nfs/dbraw/zinc/18/01/93/279180193.db2.gz FURKKFICWXBQPQ-KRWDZBQOSA-N 2 1 309.498 2.585 20 0 DFADMP CCN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)CCC(F)(F)F ZINC000353608011 279206965 /nfs/dbraw/zinc/20/69/65/279206965.db2.gz QUOHMZNVIKGBBM-ZNMIVQPWSA-N 2 1 321.431 2.723 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000659874978 431165325 /nfs/dbraw/zinc/16/53/25/431165325.db2.gz VAJNNDVBRUYMPO-RTBURBONSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C[C@@H]1CCC[N@@H+]1C ZINC000649571956 431168571 /nfs/dbraw/zinc/16/85/71/431168571.db2.gz DTJFTSIRIXJBFX-LMMKCTJWSA-N 2 1 301.478 2.675 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)[C@H](C)CN1C[C@@H]1CCC[N@H+]1C ZINC000649571956 431168579 /nfs/dbraw/zinc/16/85/79/431168579.db2.gz DTJFTSIRIXJBFX-LMMKCTJWSA-N 2 1 301.478 2.675 20 0 DFADMP CC(C)[C@H]([NH3+])CCNC(=O)[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000662729579 431177961 /nfs/dbraw/zinc/17/79/61/431177961.db2.gz MJLWINKNZAYXRD-QZTJIDSGSA-N 2 1 317.477 2.531 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CN1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC000659911257 431183398 /nfs/dbraw/zinc/18/33/98/431183398.db2.gz WNCMSWGKTGQKNN-FCGDIQPGSA-N 2 1 305.510 2.525 20 0 DFADMP CCC[NH+]1CCC(N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000666353045 431201825 /nfs/dbraw/zinc/20/18/25/431201825.db2.gz QMDLBORNYOGXTC-RBUKOAKNSA-N 2 1 301.478 2.896 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cc3ccccc3o1)CCO2 ZINC000646104957 431188944 /nfs/dbraw/zinc/18/89/44/431188944.db2.gz YISZDXIKQHIZII-UHFFFAOYSA-N 2 1 300.402 2.729 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cc3ccccc3o1)CCO2 ZINC000646104957 431188947 /nfs/dbraw/zinc/18/89/47/431188947.db2.gz YISZDXIKQHIZII-UHFFFAOYSA-N 2 1 300.402 2.729 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000646105930 431189030 /nfs/dbraw/zinc/18/90/30/431189030.db2.gz MKMAAZFGXWZINT-UHFFFAOYSA-N 2 1 302.462 2.724 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1cnc3ccccc3c1)CCO2 ZINC000646106709 431189303 /nfs/dbraw/zinc/18/93/03/431189303.db2.gz MRXVAXRKYXQKKA-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1cnc3ccccc3c1)CCO2 ZINC000646106709 431189313 /nfs/dbraw/zinc/18/93/13/431189313.db2.gz MRXVAXRKYXQKKA-UHFFFAOYSA-N 2 1 311.429 2.531 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010206 431148344 /nfs/dbraw/zinc/14/83/44/431148344.db2.gz YWAFGHSJRCGAQB-MJGOQNOKSA-N 2 1 320.452 2.678 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010206 431148352 /nfs/dbraw/zinc/14/83/52/431148352.db2.gz YWAFGHSJRCGAQB-MJGOQNOKSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010206 431148360 /nfs/dbraw/zinc/14/83/60/431148360.db2.gz YWAFGHSJRCGAQB-MJGOQNOKSA-N 2 1 320.452 2.678 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@@]1(C)Cc1ccccc1F)C1CC1 ZINC000646010206 431148367 /nfs/dbraw/zinc/14/83/67/431148367.db2.gz YWAFGHSJRCGAQB-MJGOQNOKSA-N 2 1 320.452 2.678 20 0 DFADMP CN(C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C[C@@H]1CCC[NH+]1C ZINC000649545431 431152687 /nfs/dbraw/zinc/15/26/87/431152687.db2.gz FAEJTDZOVCYNBO-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[N@@H+]1C ZINC000649545431 431152692 /nfs/dbraw/zinc/15/26/92/431152692.db2.gz FAEJTDZOVCYNBO-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP CN(C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@H]1CCC[N@H+]1C ZINC000649545431 431152697 /nfs/dbraw/zinc/15/26/97/431152697.db2.gz FAEJTDZOVCYNBO-MOPGFXCFSA-N 2 1 301.478 2.535 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659858458 431153750 /nfs/dbraw/zinc/15/37/50/431153750.db2.gz DNWALDRGAZIRGI-APWZRJJASA-N 2 1 320.477 2.706 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH+](C)C[C@H](O)C[N@H+](C)C(C)C ZINC000659858458 431153770 /nfs/dbraw/zinc/15/37/70/431153770.db2.gz DNWALDRGAZIRGI-APWZRJJASA-N 2 1 320.477 2.706 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH+](C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000659858458 431153776 /nfs/dbraw/zinc/15/37/76/431153776.db2.gz DNWALDRGAZIRGI-APWZRJJASA-N 2 1 320.477 2.706 20 0 DFADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662667881 431157919 /nfs/dbraw/zinc/15/79/19/431157919.db2.gz DXWDNGLZWIAOPF-BRWVUGGUSA-N 2 1 321.509 2.535 20 0 DFADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@@H]1CCC[NH2+]C1 ZINC000662667893 431157980 /nfs/dbraw/zinc/15/79/80/431157980.db2.gz DXWDNGLZWIAOPF-ZACQAIPSSA-N 2 1 321.509 2.535 20 0 DFADMP FC1(F)Oc2cccc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)c2O1 ZINC000666359944 431204658 /nfs/dbraw/zinc/20/46/58/431204658.db2.gz YWENCHCEZXBPCC-LLVKDONJSA-N 2 1 321.327 2.557 20 0 DFADMP C[C@H](Cc1ccc(O)cc1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000646139705 431205819 /nfs/dbraw/zinc/20/58/19/431205819.db2.gz HSQRTHFVORNHNC-DNVCBOLYSA-N 2 1 318.461 2.556 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1[NH2+]CCC1(C)C)C1CCCCC1 ZINC000662829867 431208121 /nfs/dbraw/zinc/20/81/21/431208121.db2.gz XIAVYXGTUADNFL-MRXNPFEDSA-N 2 1 309.498 2.535 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc1 ZINC000662876924 431222462 /nfs/dbraw/zinc/22/24/62/431222462.db2.gz CKFQHRXSMPNNIK-AEFFLSMTSA-N 2 1 315.461 2.518 20 0 DFADMP Cc1ccc([C@H]([NH3+])C(=O)N[C@@H]2CC[N@H+](C3CCCCC3)C2)cc1 ZINC000662876924 431222471 /nfs/dbraw/zinc/22/24/71/431222471.db2.gz CKFQHRXSMPNNIK-AEFFLSMTSA-N 2 1 315.461 2.518 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000660066382 431254487 /nfs/dbraw/zinc/25/44/87/431254487.db2.gz ZHZCXQOZSWZEKY-ROUUACIJSA-N 2 1 308.441 2.958 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCC1 ZINC000660066382 431254492 /nfs/dbraw/zinc/25/44/92/431254492.db2.gz ZHZCXQOZSWZEKY-ROUUACIJSA-N 2 1 308.441 2.958 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)C1 ZINC000660114693 431276724 /nfs/dbraw/zinc/27/67/24/431276724.db2.gz JURFNLGHVZQFOV-HLNWXESRSA-N 2 1 319.537 2.913 20 0 DFADMP Cc1cc(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(C)n1 ZINC000660116201 431276783 /nfs/dbraw/zinc/27/67/83/431276783.db2.gz WSHMHKCJXMSGGP-CRAIPNDOSA-N 2 1 300.450 2.542 20 0 DFADMP CC[C@H](CC(F)F)C[N@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000660152593 431295867 /nfs/dbraw/zinc/29/58/67/431295867.db2.gz AUCKSFQVSBQQIR-ARFHVFGLSA-N 2 1 317.468 2.626 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@]1(CC)CCC[NH2+]1)C1CCCCC1 ZINC000653200870 431306139 /nfs/dbraw/zinc/30/61/39/431306139.db2.gz SFTRZPCEVBVSSM-GOSISDBHSA-N 2 1 309.498 2.680 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653200231 431306281 /nfs/dbraw/zinc/30/62/81/431306281.db2.gz ZQPNSWVSYGMMGL-QZTJIDSGSA-N 2 1 321.509 2.678 20 0 DFADMP CC[C@H]1[NH2+]CC[C@H]1C(=O)NCCC[N@@H+](CC)C1CCCCC1 ZINC000653200622 431307017 /nfs/dbraw/zinc/30/70/17/431307017.db2.gz KSGPYSGMTRWLEO-IAGOWNOFSA-N 2 1 309.498 2.535 20 0 DFADMP CC[N@@H+](CCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1)C1CCCCC1 ZINC000653200232 431307603 /nfs/dbraw/zinc/30/76/03/431307603.db2.gz ZQPNSWVSYGMMGL-ROUUACIJSA-N 2 1 321.509 2.678 20 0 DFADMP C[N@H+]1CCC[C@@H](N2CC[NH+](C[C@H]3CCCCC3(C)C)CC2)C1 ZINC000660074804 431260202 /nfs/dbraw/zinc/26/02/02/431260202.db2.gz QMAFGRSGJCZGEQ-QZTJIDSGSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H](CC[NH+](C)C)Nc1nc(N2CCCC(C)(C)C2)cc[nH+]1 ZINC000656112878 431266913 /nfs/dbraw/zinc/26/69/13/431266913.db2.gz LZNIRIJPTMEZNI-CQSZACIVSA-N 2 1 305.470 2.855 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H](NCc2cc(C3CC3)no2)[C@H](C)C1 ZINC000660304034 431369756 /nfs/dbraw/zinc/36/97/56/431369756.db2.gz BSACWCVVHPVIRE-RHSMWYFYSA-N 2 1 321.465 2.779 20 0 DFADMP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660213577 431323627 /nfs/dbraw/zinc/32/36/27/431323627.db2.gz SROZNCITDOVIDS-MSOLQXFVSA-N 2 1 310.457 2.684 20 0 DFADMP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@H]1CCCC[NH2+]1 ZINC000666769753 431351686 /nfs/dbraw/zinc/35/16/86/431351686.db2.gz FDXWYHQWQZMRSM-JKSUJKDBSA-N 2 1 306.450 2.757 20 0 DFADMP CC[C@@H](C[NH+]1CCCC1)NC(=O)Nc1cc(C)c2[nH+]ccn2c1 ZINC000653372037 431380914 /nfs/dbraw/zinc/38/09/14/431380914.db2.gz FIYQAUDRSCSEGH-AWEZNQCLSA-N 2 1 315.421 2.639 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]CCC(=O)N(C)c2ccccc2)C1 ZINC000663360493 431384784 /nfs/dbraw/zinc/38/47/84/431384784.db2.gz POKZEDVTKLARIC-KRWDZBQOSA-N 2 1 317.477 2.607 20 0 DFADMP CC1(C)CCCN(c2cc[nH+]c(N[C@@H]3CCC[C@H]3C[NH3+])n2)C1 ZINC000653472228 431393110 /nfs/dbraw/zinc/39/31/10/431393110.db2.gz JGXUKSNWIJVYMM-UONOGXRCSA-N 2 1 303.454 2.642 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cnn(Cc2ccccc2Cl)c1 ZINC000666878593 431393535 /nfs/dbraw/zinc/39/35/35/431393535.db2.gz TZITVPRXSNTQJB-SUMWQHHRSA-N 2 1 318.852 2.672 20 0 DFADMP C[N@H+]1CCC[C@H](N2CC[NH+](CC3CCC(F)(F)CC3)CC2)C1 ZINC000656469273 431396684 /nfs/dbraw/zinc/39/66/84/431396684.db2.gz RTKSPRIVSFPNOZ-INIZCTEOSA-N 2 1 315.452 2.524 20 0 DFADMP COc1cc2c(c(C[NH2+][C@@H]3CC[NH2+]C4(CCC4)C3)c1)O[C@@H](C)C2 ZINC000666998540 431440714 /nfs/dbraw/zinc/44/07/14/431440714.db2.gz ZRGIYAFMIBSSSH-XJKSGUPXSA-N 2 1 316.445 2.783 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]CC12CC(C1)C[NH2+]2 ZINC000663497636 431443250 /nfs/dbraw/zinc/44/32/50/431443250.db2.gz IOONCUVCPRTNLO-XVTSOASTSA-N 2 1 315.461 2.869 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@@H+]1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000663493817 431443624 /nfs/dbraw/zinc/44/36/24/431443624.db2.gz KKPXUWQKYQVNFI-FRFSOERESA-N 2 1 307.869 2.532 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1C[N@H+]1CCNC[C@@H]1c1cccc(Cl)c1 ZINC000663493817 431443630 /nfs/dbraw/zinc/44/36/30/431443630.db2.gz KKPXUWQKYQVNFI-FRFSOERESA-N 2 1 307.869 2.532 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CC2([NH+]3CCCCC3)CCOCC2)C1(C)C ZINC000181947677 279814035 /nfs/dbraw/zinc/81/40/35/279814035.db2.gz NWFGGHHXUNLPBK-IAGOWNOFSA-N 2 1 324.509 2.815 20 0 DFADMP c1ccc([C@@H]2C[C@@H]2[N@H+]2CCC[C@@H](N3CCOCC3)CC2)cc1 ZINC000660476558 431448801 /nfs/dbraw/zinc/44/88/01/431448801.db2.gz ZQGPUNIGQAZHIP-QYZOEREBSA-N 2 1 300.446 2.729 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH2+][C@H](c1ccc(F)cc1)C1CCCC1 ZINC000653602118 431454742 /nfs/dbraw/zinc/45/47/42/431454742.db2.gz OLPMIOGWSCMMQA-MSOLQXFVSA-N 2 1 308.441 2.959 20 0 DFADMP C[NH2+]C[C@@H](C)[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000663514783 431454979 /nfs/dbraw/zinc/45/49/79/431454979.db2.gz TUNBNNWYJNSXNM-NXEZZACHSA-N 2 1 303.219 2.717 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN[C@H](c1ccc(F)cc1F)C(C)C ZINC000653607317 431455824 /nfs/dbraw/zinc/45/58/24/431455824.db2.gz ZHLACEQYKLBQPK-CJNGLKHVSA-N 2 1 300.393 2.564 20 0 DFADMP O[C@H]1CCC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)C1 ZINC000660436100 431427569 /nfs/dbraw/zinc/42/75/69/431427569.db2.gz PSSXMBBGOQHTCY-QAPCUYQASA-N 2 1 317.477 2.950 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663466473 431431605 /nfs/dbraw/zinc/43/16/05/431431605.db2.gz UHAHCXHBDDFROX-NVXWUHKLSA-N 2 1 302.466 2.509 20 0 DFADMP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466473 431431612 /nfs/dbraw/zinc/43/16/12/431431612.db2.gz UHAHCXHBDDFROX-NVXWUHKLSA-N 2 1 302.466 2.509 20 0 DFADMP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663466565 431431781 /nfs/dbraw/zinc/43/17/81/431431781.db2.gz VOGKQFWNUUDEIT-QZTJIDSGSA-N 2 1 304.482 2.619 20 0 DFADMP C(NC1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471826 431436356 /nfs/dbraw/zinc/43/63/56/431436356.db2.gz YOALCIJXCCKDLC-SFHVURJKSA-N 2 1 305.510 2.572 20 0 DFADMP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663471826 431436358 /nfs/dbraw/zinc/43/63/58/431436358.db2.gz YOALCIJXCCKDLC-SFHVURJKSA-N 3 1 305.510 2.572 20 0 DFADMP C([NH2+]C1CC[NH+](CC2CC2)CC1)[C@@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663471826 431436361 /nfs/dbraw/zinc/43/63/61/431436361.db2.gz YOALCIJXCCKDLC-SFHVURJKSA-N 3 1 305.510 2.572 20 0 DFADMP COc1cccc(SCC[N@@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660617368 431516744 /nfs/dbraw/zinc/51/67/44/431516744.db2.gz XITSYYMWCCZWAS-QGZVFWFLSA-N 2 1 306.475 2.815 20 0 DFADMP COc1cccc(SCC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000660617368 431516749 /nfs/dbraw/zinc/51/67/49/431516749.db2.gz XITSYYMWCCZWAS-QGZVFWFLSA-N 2 1 306.475 2.815 20 0 DFADMP COc1cccc(SCC[NH+]2CC[C@@]3(CC[N@H+](C)C3)C2)c1 ZINC000660617368 431516753 /nfs/dbraw/zinc/51/67/53/431516753.db2.gz XITSYYMWCCZWAS-QGZVFWFLSA-N 2 1 306.475 2.815 20 0 DFADMP COc1cccc(SCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660617368 431516761 /nfs/dbraw/zinc/51/67/61/431516761.db2.gz XITSYYMWCCZWAS-QGZVFWFLSA-N 2 1 306.475 2.815 20 0 DFADMP Cc1c(Cl)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nn1C ZINC000656782976 431519911 /nfs/dbraw/zinc/51/99/11/431519911.db2.gz KOAXPUVPLPVILM-AWEZNQCLSA-N 2 1 310.873 2.594 20 0 DFADMP Cc1c(Cl)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nn1C ZINC000656782976 431519915 /nfs/dbraw/zinc/51/99/15/431519915.db2.gz KOAXPUVPLPVILM-AWEZNQCLSA-N 2 1 310.873 2.594 20 0 DFADMP Cn1c2ccccc2nc1C[N@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786514 431522365 /nfs/dbraw/zinc/52/23/65/431522365.db2.gz TZNJHQMTONUGAB-INIZCTEOSA-N 2 1 312.461 2.785 20 0 DFADMP CCOc1ccc(C[N@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656786293 431523659 /nfs/dbraw/zinc/52/36/59/431523659.db2.gz RYQIXTNUDAKINT-MRXNPFEDSA-N 2 1 303.450 2.692 20 0 DFADMP CC[N@@H+](C)C[C@H](O)CN1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000653779007 431523906 /nfs/dbraw/zinc/52/39/06/431523906.db2.gz VUIYUQXGVMBUBQ-CJNGLKHVSA-N 2 1 310.869 2.614 20 0 DFADMP CCN(C)C[C@H](O)C[N@@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000653779007 431523908 /nfs/dbraw/zinc/52/39/08/431523908.db2.gz VUIYUQXGVMBUBQ-CJNGLKHVSA-N 2 1 310.869 2.614 20 0 DFADMP CCN(C)C[C@H](O)C[N@H+]1CCc2ccc(Cl)cc2[C@H](C)C1 ZINC000653779007 431523916 /nfs/dbraw/zinc/52/39/16/431523916.db2.gz VUIYUQXGVMBUBQ-CJNGLKHVSA-N 2 1 310.869 2.614 20 0 DFADMP CC(C)n1cncc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249129 431526873 /nfs/dbraw/zinc/52/68/73/431526873.db2.gz DELCBRFXZLDPJK-MJGOQNOKSA-N 2 1 312.461 2.899 20 0 DFADMP CC(C)n1cncc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249129 431526878 /nfs/dbraw/zinc/52/68/78/431526878.db2.gz DELCBRFXZLDPJK-MJGOQNOKSA-N 2 1 312.461 2.899 20 0 DFADMP CC1(C)CC([NH2+]Cc2ccnn2-c2ccccn2)CC(C)(C)[NH2+]1 ZINC000647168359 431488596 /nfs/dbraw/zinc/48/85/96/431488596.db2.gz SGCKRYWCTUVJDG-UHFFFAOYSA-N 2 1 313.449 2.666 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647168288 431488644 /nfs/dbraw/zinc/48/86/44/431488644.db2.gz PINBRTZPNKQSSZ-MRXNPFEDSA-N 2 1 313.449 2.621 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647168288 431488651 /nfs/dbraw/zinc/48/86/51/431488651.db2.gz PINBRTZPNKQSSZ-MRXNPFEDSA-N 2 1 313.449 2.621 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562749 431493716 /nfs/dbraw/zinc/49/37/16/431493716.db2.gz NTPDVMAJKPNCFE-MJBXVCDLSA-N 2 1 310.404 2.740 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562749 431493720 /nfs/dbraw/zinc/49/37/20/431493720.db2.gz NTPDVMAJKPNCFE-MJBXVCDLSA-N 2 1 310.404 2.740 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H]1CC[C@@H](C(F)(F)F)CC1 ZINC000660562749 431493723 /nfs/dbraw/zinc/49/37/23/431493723.db2.gz NTPDVMAJKPNCFE-MJBXVCDLSA-N 2 1 310.404 2.740 20 0 DFADMP C[C@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCn1ccnc1 ZINC000653704461 431496531 /nfs/dbraw/zinc/49/65/31/431496531.db2.gz RWCRVJDLPVIWOF-AWEZNQCLSA-N 2 1 304.825 2.747 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000660697977 431556188 /nfs/dbraw/zinc/55/61/88/431556188.db2.gz MBFUQOZVFBFOTM-ZWKOTPCHSA-N 2 1 302.462 2.615 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344236 431557918 /nfs/dbraw/zinc/55/79/18/431557918.db2.gz MHFOWKJLGKPQSH-SPOLIRPYSA-N 2 1 314.473 2.735 20 0 DFADMP COC[C@H](CC(C)C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344529 431559650 /nfs/dbraw/zinc/55/96/50/431559650.db2.gz SUMZIHITCDCHJC-QYZOEREBSA-N 2 1 304.478 2.983 20 0 DFADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344743 431562516 /nfs/dbraw/zinc/56/25/16/431562516.db2.gz YHPDCRIJVNECBN-YJLNNSPDSA-N 2 1 312.461 2.725 20 0 DFADMP Cc1nn(C)cc1[C@H](C)[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647344743 431562523 /nfs/dbraw/zinc/56/25/23/431562523.db2.gz YHPDCRIJVNECBN-YJLNNSPDSA-N 2 1 312.461 2.725 20 0 DFADMP COc1ccc([C@H](CC(C)C)[NH2+]C[C@H](O)C[NH+]2CCCC2)cc1 ZINC000647284226 431537014 /nfs/dbraw/zinc/53/70/14/431537014.db2.gz IJUGJBMPIMQOKL-HKUYNNGSSA-N 2 1 320.477 2.829 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCc2ccsc2)CC1 ZINC000660694700 431552888 /nfs/dbraw/zinc/55/28/88/431552888.db2.gz FWCNRGPSJSSCIT-UHFFFAOYSA-N 2 1 310.507 2.753 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000660695833 431552914 /nfs/dbraw/zinc/55/29/14/431552914.db2.gz MBFUQOZVFBFOTM-QZTJIDSGSA-N 2 1 302.462 2.615 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000660695673 431553725 /nfs/dbraw/zinc/55/37/25/431553725.db2.gz BLFDUVBONKMSMJ-SFHVURJKSA-N 2 1 302.462 2.746 20 0 DFADMP CC(C)C[NH2+]C1(CO)CC[NH+](CCCCOC(C)(C)C)CC1 ZINC000660697523 431554639 /nfs/dbraw/zinc/55/46/39/431554639.db2.gz GTYNSRVJDFCLOO-UHFFFAOYSA-N 2 1 314.514 2.654 20 0 DFADMP CC(C)n1cc(C2=CCC[N@@H+](CC[C@@H]3CCC[NH+]3C)CC2)nn1 ZINC000660716830 431564776 /nfs/dbraw/zinc/56/47/76/431564776.db2.gz AZECIARSGLOHAM-KRWDZBQOSA-N 2 1 317.481 2.823 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)nn1 ZINC000660716830 431564781 /nfs/dbraw/zinc/56/47/81/431564781.db2.gz AZECIARSGLOHAM-KRWDZBQOSA-N 2 1 317.481 2.823 20 0 DFADMP CC(C)n1cc(C2=CCC[NH+](CC[C@@H]3CCC[N@H+]3C)CC2)nn1 ZINC000660716830 431564788 /nfs/dbraw/zinc/56/47/88/431564788.db2.gz AZECIARSGLOHAM-KRWDZBQOSA-N 2 1 317.481 2.823 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1 ZINC000647480202 431600959 /nfs/dbraw/zinc/60/09/59/431600959.db2.gz GSRGHAZNQSMKGG-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP Cc1cc(C)c2c(c1)[C@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCCO2 ZINC000268827519 280409925 /nfs/dbraw/zinc/40/99/25/280409925.db2.gz JLKHAXOLACOLLG-SJLPKXTDSA-N 2 1 318.461 2.563 20 0 DFADMP COc1cc(C)c(C[N@@H+](C2CC2)C2CC[NH2+]CC2)cc1OC ZINC000647482819 431602696 /nfs/dbraw/zinc/60/26/96/431602696.db2.gz BKTPXQUAORASSD-UHFFFAOYSA-N 2 1 304.434 2.729 20 0 DFADMP CCC[N@@H+](Cc1ccc(C(=O)NC2CC2)cc1)C1CC[NH2+]CC1 ZINC000647484394 431603416 /nfs/dbraw/zinc/60/34/16/431603416.db2.gz ACQBECYUESCHAH-UHFFFAOYSA-N 2 1 315.461 2.543 20 0 DFADMP CCOc1ccccc1C[N@H+]1CCC[C@H]([C@H]2C[C@H]([NH3+])CCO2)C1 ZINC000650705346 431652922 /nfs/dbraw/zinc/65/29/22/431652922.db2.gz FAMTZQJDZUXREV-YQVWRLOYSA-N 2 1 318.461 2.804 20 0 DFADMP Cc1ccc(CCC[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cn1 ZINC000650708315 431653405 /nfs/dbraw/zinc/65/34/05/431653405.db2.gz XRQCJUBZBFCIGS-FHWLQOOXSA-N 2 1 317.477 2.541 20 0 DFADMP CC(C)c1nc(C[N@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cs1 ZINC000650706577 431653481 /nfs/dbraw/zinc/65/34/81/431653481.db2.gz NPSPGDQCNXJTRW-SQWLQELKSA-N 2 1 323.506 2.985 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](Cc3cccc(F)c3F)C2)C1 ZINC000650706109 431653911 /nfs/dbraw/zinc/65/39/11/431653911.db2.gz DIBIOVQFJKWPRW-XPKDYRNWSA-N 2 1 310.388 2.683 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1 ZINC000650705586 431655032 /nfs/dbraw/zinc/65/50/32/431655032.db2.gz MMLWBKHQFRTXKD-GBESFXJTSA-N 2 1 302.462 2.967 20 0 DFADMP COC[C@H](C)Oc1ccc(C[NH2+]C2CC[NH+](C3CC3)CC2)cc1 ZINC000657295043 431655275 /nfs/dbraw/zinc/65/52/75/431655275.db2.gz IALUJTFVWRZSQO-HNNXBMFYSA-N 2 1 318.461 2.817 20 0 DFADMP c1c(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)nn2c1CCC2 ZINC000657297375 431655784 /nfs/dbraw/zinc/65/57/84/431655784.db2.gz MRWLMUXCTCMDDA-UHFFFAOYSA-N 2 1 310.445 2.715 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c1 ZINC000650710877 431656099 /nfs/dbraw/zinc/65/60/99/431656099.db2.gz BLTTWCBVEFMPBR-CRAIPNDOSA-N 2 1 306.450 2.661 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000650708625 431656169 /nfs/dbraw/zinc/65/61/69/431656169.db2.gz HXUNCUJIHCWJTR-HKUYNNGSSA-N 2 1 310.445 2.742 20 0 DFADMP COCCOc1ccc(C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])cc1 ZINC000650711238 431657286 /nfs/dbraw/zinc/65/72/86/431657286.db2.gz MRVXWKVRPFPEKF-CRAIPNDOSA-N 2 1 306.450 2.661 20 0 DFADMP COc1ccc2nc(C[N@@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)sc2c1 ZINC000650709876 431657826 /nfs/dbraw/zinc/65/78/26/431657826.db2.gz VAYOWXLQNSCKKZ-SJCJKPOMSA-N 2 1 317.458 2.866 20 0 DFADMP COc1ccc2nc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)sc2c1 ZINC000650709876 431657830 /nfs/dbraw/zinc/65/78/30/431657830.db2.gz VAYOWXLQNSCKKZ-SJCJKPOMSA-N 2 1 317.458 2.866 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2ccc(C(F)(F)F)cc2C)C[C@H]1C[NH3+] ZINC000650714595 431659737 /nfs/dbraw/zinc/65/97/37/431659737.db2.gz QUFPKUDEWBHVFC-UKRRQHHQSA-N 2 1 316.367 2.809 20 0 DFADMP C[C@@H]1CCC[N@H+](Cc2cnc([C@@H]3CCCO3)s2)[C@H]1CC[NH3+] ZINC000650711590 431659975 /nfs/dbraw/zinc/65/99/75/431659975.db2.gz YJHZMGFTWHKLRO-SNPRPXQTSA-N 2 1 309.479 2.944 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)[C@H]1CC[NH3+] ZINC000650711590 431659980 /nfs/dbraw/zinc/65/99/80/431659980.db2.gz YJHZMGFTWHKLRO-SNPRPXQTSA-N 2 1 309.479 2.944 20 0 DFADMP CC[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000647498259 431605421 /nfs/dbraw/zinc/60/54/21/431605421.db2.gz DFMPTUNQBPKSOC-BLLLJJGKSA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2ccccc2F)CC[C@H]1[NH3+] ZINC000647498259 431605426 /nfs/dbraw/zinc/60/54/26/431605426.db2.gz DFMPTUNQBPKSOC-BLLLJJGKSA-N 2 1 302.397 2.775 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnc3c(cnn3C(C)C)c2)CC[C@H]1[NH3+] ZINC000647498231 431605960 /nfs/dbraw/zinc/60/59/60/431605960.db2.gz CYVAXAGEFAEXKB-GDBMZVCRSA-N 2 1 301.438 2.571 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnc3c(cnn3C(C)C)c2)CC[C@H]1[NH3+] ZINC000647498231 431605964 /nfs/dbraw/zinc/60/59/64/431605964.db2.gz CYVAXAGEFAEXKB-GDBMZVCRSA-N 2 1 301.438 2.571 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(C)cc2-c2cnn(C)c2)CC[C@H]1[NH3+] ZINC000647497750 431606700 /nfs/dbraw/zinc/60/67/00/431606700.db2.gz TWIRIQFQIJKDHD-HNAYVOBHSA-N 2 1 312.461 2.955 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000647497674 431607246 /nfs/dbraw/zinc/60/72/46/431607246.db2.gz PYBBXVGPMOORSX-SJLPKXTDSA-N 2 1 316.424 2.630 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cnn(Cc3ccc(F)cc3)c2)CC[C@H]1[NH3+] ZINC000647497674 431607251 /nfs/dbraw/zinc/60/72/51/431607251.db2.gz PYBBXVGPMOORSX-SJLPKXTDSA-N 2 1 316.424 2.630 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@H]([NH3+])[C@@H](CC)C2)ccc1OC ZINC000647498882 431608544 /nfs/dbraw/zinc/60/85/44/431608544.db2.gz SNKWQRPYBVYXOF-RDJZCZTQSA-N 2 1 306.450 2.791 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2c[nH]nc2-c2cccc(OC)c2)CC[C@@H]1[NH3+] ZINC000647498534 431609488 /nfs/dbraw/zinc/60/94/88/431609488.db2.gz JTYFYWPEAHTBPX-GUYCJALGSA-N 2 1 314.433 2.645 20 0 DFADMP Cc1ccc(CCC[N@H+](Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cn1 ZINC000647520352 431614731 /nfs/dbraw/zinc/61/47/31/431614731.db2.gz INBJCEMNWUIANJ-HXUWFJFHSA-N 2 1 324.472 2.829 20 0 DFADMP CC[C@H]1C[N@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000654008546 431617179 /nfs/dbraw/zinc/61/71/79/431617179.db2.gz VZZCAAKAENFJPO-HNNXBMFYSA-N 2 1 321.465 2.678 20 0 DFADMP CC[C@H]1C[N@@H+](CC)CCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000654008546 431617184 /nfs/dbraw/zinc/61/71/84/431617184.db2.gz VZZCAAKAENFJPO-HNNXBMFYSA-N 2 1 321.465 2.678 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543289 431623760 /nfs/dbraw/zinc/62/37/60/431623760.db2.gz KPOUWPKPFTVTSQ-DLBZAZTESA-N 2 1 301.478 2.964 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647542866 431623884 /nfs/dbraw/zinc/62/38/84/431623884.db2.gz DCDPQQBORFXGNT-HOTGVXAUSA-N 2 1 303.450 2.610 20 0 DFADMP c1ccc2c(c1)OCC[C@@H]2C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000647545710 431624360 /nfs/dbraw/zinc/62/43/60/431624360.db2.gz IOCITPNHYNKYEY-GVDBMIGSSA-N 2 1 300.446 2.874 20 0 DFADMP COc1c(O)cccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543122 431624717 /nfs/dbraw/zinc/62/47/17/431624717.db2.gz HVNCLXWGSZIZCL-GJZGRUSLSA-N 2 1 304.434 2.612 20 0 DFADMP Cc1nn(C(C)C)cc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544351 431624938 /nfs/dbraw/zinc/62/49/38/431624938.db2.gz ZEXKGCFCAKFSBH-IRXDYDNUSA-N 2 1 304.482 2.984 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543291 431624955 /nfs/dbraw/zinc/62/49/55/431624955.db2.gz KPOUWPKPFTVTSQ-IRXDYDNUSA-N 2 1 301.478 2.964 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542867 431625782 /nfs/dbraw/zinc/62/57/82/431625782.db2.gz DCDPQQBORFXGNT-HZPDHXFCSA-N 2 1 303.450 2.610 20 0 DFADMP Fc1cccn2cc(C[N@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)nc12 ZINC000647543752 431626118 /nfs/dbraw/zinc/62/61/18/431626118.db2.gz RPKKHWNNXBSEJZ-LSDHHAIUSA-N 2 1 316.424 2.685 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)c1OC ZINC000647543226 431626207 /nfs/dbraw/zinc/62/62/07/431626207.db2.gz JRWOYECSDBXAGS-HOTGVXAUSA-N 2 1 318.461 2.915 20 0 DFADMP C[C@@H]1C[NH2+]C[C@@H]([NH2+]CCc2ccccc2OC(F)(F)F)C1 ZINC000647549494 431627129 /nfs/dbraw/zinc/62/71/29/431627129.db2.gz DGVYQOZBTPXYEI-AAEUAGOBSA-N 2 1 302.340 2.715 20 0 DFADMP c1ccc2c(c1)[nH+]ccc2N1CCC([N@H+]2CCCOCC2)CC1 ZINC000664010111 431627349 /nfs/dbraw/zinc/62/73/49/431627349.db2.gz UATUVLZJMIOHDH-UHFFFAOYSA-N 2 1 311.429 2.926 20 0 DFADMP C[C@H]1C[NH2+]C[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C1 ZINC000647549161 431628370 /nfs/dbraw/zinc/62/83/70/431628370.db2.gz KOLRLKXQLDFMAG-CABCVRRESA-N 2 1 322.880 2.976 20 0 DFADMP Cc1c(Br)cncc1C[NH2+]CC(C)(C)C[NH+](C)C ZINC000657285416 431647601 /nfs/dbraw/zinc/64/76/01/431647601.db2.gz DYFHNDLJIIDFQZ-UHFFFAOYSA-N 2 1 314.271 2.830 20 0 DFADMP CC[NH+](CC)CCC[NH2+]Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000657285902 431647701 /nfs/dbraw/zinc/64/77/01/431647701.db2.gz PEMODOGAHXGWQI-SFHVURJKSA-N 2 1 306.450 2.676 20 0 DFADMP Cc1nc(C)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)s1 ZINC000650723233 431664497 /nfs/dbraw/zinc/66/44/97/431664497.db2.gz JXZLKMAQSRVQLS-RBSFLKMASA-N 2 1 309.479 2.621 20 0 DFADMP COc1cccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650722240 431664799 /nfs/dbraw/zinc/66/47/99/431664799.db2.gz NTPBTDYWUWWKIB-NXHRZFHOSA-N 2 1 304.434 2.556 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2cccc(F)c2F)C1 ZINC000650723429 431665008 /nfs/dbraw/zinc/66/50/08/431665008.db2.gz NPHJQHKWLPVSOQ-BMFZPTHFSA-N 2 1 310.388 2.826 20 0 DFADMP Cc1ccc(F)cc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723264 431665535 /nfs/dbraw/zinc/66/55/35/431665535.db2.gz KMPIUTMMPONRAC-KURKYZTESA-N 2 1 306.425 2.995 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650721858 431665724 /nfs/dbraw/zinc/66/57/24/431665724.db2.gz DGYDTMVZIXGVIE-ZHALLVOQSA-N 2 1 318.461 2.864 20 0 DFADMP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@H+]2Cc2cc(F)cc(F)c2)C1 ZINC000650723510 431666434 /nfs/dbraw/zinc/66/64/34/431666434.db2.gz PLXZDDXLKDKVRC-BRWVUGGUSA-N 2 1 310.388 2.826 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650723538 431666673 /nfs/dbraw/zinc/66/66/73/431666673.db2.gz PUMMCHHHDPNZAD-KBAYOESNSA-N 2 1 306.425 2.995 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2ccc(F)cc2F)C1 ZINC000650721840 431666770 /nfs/dbraw/zinc/66/67/70/431666770.db2.gz CXAGICRPCQNXFZ-OIISXLGYSA-N 2 1 310.388 2.826 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@H+]2Cc2scnc2C2CC2)C1 ZINC000650725213 431668957 /nfs/dbraw/zinc/66/89/57/431668957.db2.gz VVILKLVHRLHUJR-KFWWJZLASA-N 2 1 321.490 2.881 20 0 DFADMP [NH3+]CC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)CC1 ZINC000650745312 431677647 /nfs/dbraw/zinc/67/76/47/431677647.db2.gz DFPINLQWZWHAKV-REPLKXPHSA-N 3 1 313.489 2.901 20 0 DFADMP [NH3+]CC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)CC1 ZINC000650745312 431677653 /nfs/dbraw/zinc/67/76/53/431677653.db2.gz DFPINLQWZWHAKV-REPLKXPHSA-N 2 1 313.489 2.901 20 0 DFADMP C[NH2+]Cc1ccccc1CN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000650756316 431681555 /nfs/dbraw/zinc/68/15/55/431681555.db2.gz ZIDPVPQOYODIDC-GUDVDZBRSA-N 2 1 301.478 2.806 20 0 DFADMP CC[C@@H](C)[N@H+](C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657342725 431690292 /nfs/dbraw/zinc/69/02/92/431690292.db2.gz CHKSXBFEBMUKAN-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP CC[C@@H](C)[N@@H+](C)CC[NH2+]C[C@@H]1CCCO[C@H]1c1cnn(CC)c1 ZINC000657342725 431690297 /nfs/dbraw/zinc/69/02/97/431690297.db2.gz CHKSXBFEBMUKAN-SOLBZPMBSA-N 2 1 322.497 2.691 20 0 DFADMP CC[C@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@@H]1CCCC[NH2+]1 ZINC000647804241 431693582 /nfs/dbraw/zinc/69/35/82/431693582.db2.gz MGJDLXGAZNOKFC-IRXDYDNUSA-N 2 1 300.450 2.696 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)Nc1ccc(C(F)(F)F)cn1 ZINC000664195608 431693725 /nfs/dbraw/zinc/69/37/25/431693725.db2.gz MSNIRHOXMMBDPT-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)Nc1ccc(C(F)(F)F)cn1 ZINC000664195608 431693729 /nfs/dbraw/zinc/69/37/29/431693729.db2.gz MSNIRHOXMMBDPT-LBPRGKRZSA-N 2 1 318.387 2.784 20 0 DFADMP COC[C@@H](C)Oc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C)C2)cc1 ZINC000657357831 431699767 /nfs/dbraw/zinc/69/97/67/431699767.db2.gz FKSAXEAMZWSIHR-WBVHZDCISA-N 2 1 306.450 2.532 20 0 DFADMP Cc1ccc2cc(C[NH2+]CCCC[N@H+]3CCC[C@H]3CO)[nH]c2c1 ZINC000657356525 431700701 /nfs/dbraw/zinc/70/07/01/431700701.db2.gz NICQNESUVNTZJM-SFHVURJKSA-N 2 1 315.461 2.803 20 0 DFADMP c1nc2n(c1CNC[C@H]1CCC[N@H+]1CC1CCCCC1)CCC2 ZINC000657359413 431700968 /nfs/dbraw/zinc/70/09/68/431700968.db2.gz UIPQDRWTIPEPMN-QGZVFWFLSA-N 2 1 316.493 2.964 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCC[NH3+])c1ccc2ccccc2c1 ZINC000647849106 431706671 /nfs/dbraw/zinc/70/66/71/431706671.db2.gz HTDNYCFTNKXAEO-GJZGRUSLSA-N 2 1 313.445 2.686 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+](C)CCC[NH3+])c1ccc2ccccc2c1 ZINC000647849106 431706680 /nfs/dbraw/zinc/70/66/80/431706680.db2.gz HTDNYCFTNKXAEO-GJZGRUSLSA-N 2 1 313.445 2.686 20 0 DFADMP COc1ccc(COCC[NH+]2CCC([NH2+]CC3CC3)CC2)cc1 ZINC000647850760 431707239 /nfs/dbraw/zinc/70/72/39/431707239.db2.gz RWGFMZLFKQZMTJ-UHFFFAOYSA-N 2 1 318.461 2.676 20 0 DFADMP CC[NH2+]CC1CC[NH+](Cc2ccn(-c3cccc(F)c3)n2)CC1 ZINC000647855271 431708855 /nfs/dbraw/zinc/70/88/55/431708855.db2.gz KVGILGVYSUQEAM-UHFFFAOYSA-N 2 1 316.424 2.833 20 0 DFADMP C[C@H](CCNc1nc(N2CCCC(C)(C)C2)cc[nH+]1)[NH+](C)C ZINC000664244539 431712135 /nfs/dbraw/zinc/71/21/35/431712135.db2.gz LNJPPMPPLPOFSJ-CQSZACIVSA-N 2 1 305.470 2.855 20 0 DFADMP Cc1[nH]c2nc[nH+]c(NCCC[NH2+]Cc3cccnc3)c2c1C ZINC000647703850 431663545 /nfs/dbraw/zinc/66/35/45/431663545.db2.gz IGZXLSOOOAQCSC-UHFFFAOYSA-N 2 1 310.405 2.562 20 0 DFADMP CC1([NH3+])CC[NH+](Cc2cccc(C(=O)N3CCCCC3)c2)CC1 ZINC000647924902 431731589 /nfs/dbraw/zinc/73/15/89/431731589.db2.gz UMVWYLPAUQZNPT-UHFFFAOYSA-N 2 1 315.461 2.626 20 0 DFADMP CC[C@@H]1C[N@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000647936801 431736378 /nfs/dbraw/zinc/73/63/78/431736378.db2.gz LPMNKLMGLUOXEE-HDWXEKECSA-N 2 1 321.509 2.615 20 0 DFADMP CC[C@@H]1C[N@@H+](CC(=O)N(C2CC2)C2CCC(C)CC2)CC[C@H]1[NH3+] ZINC000647936801 431736386 /nfs/dbraw/zinc/73/63/86/431736386.db2.gz LPMNKLMGLUOXEE-HDWXEKECSA-N 2 1 321.509 2.615 20 0 DFADMP CC[C@@H]1C[N@@H+](CCC(=O)Nc2ccc(Cl)cc2)CC[C@@H]1[NH3+] ZINC000647937432 431737855 /nfs/dbraw/zinc/73/78/55/431737855.db2.gz ZBWBEWDGWXNNBS-DOMZBBRYSA-N 2 1 309.841 2.728 20 0 DFADMP CC[C@@H]1C[N@@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647938567 431739035 /nfs/dbraw/zinc/73/90/35/431739035.db2.gz PVUPYHZGHBKKKD-NJAFHUGGSA-N 2 1 317.477 2.655 20 0 DFADMP CC[C@@H]1C[N@H+]([C@H](C(=O)N(CC)CC)c2ccccc2)CC[C@@H]1[NH3+] ZINC000647938567 431739039 /nfs/dbraw/zinc/73/90/39/431739039.db2.gz PVUPYHZGHBKKKD-NJAFHUGGSA-N 2 1 317.477 2.655 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000657431653 431746657 /nfs/dbraw/zinc/74/66/57/431746657.db2.gz ZVQSVXHVIFYDNN-SJLPKXTDSA-N 2 1 324.472 2.830 20 0 DFADMP C[C@@H]([NH2+]Cc1cnc2n1CCC2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000657431653 431746663 /nfs/dbraw/zinc/74/66/63/431746663.db2.gz ZVQSVXHVIFYDNN-SJLPKXTDSA-N 2 1 324.472 2.830 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)n1C ZINC000657433657 431752246 /nfs/dbraw/zinc/75/22/46/431752246.db2.gz YDAPEQSHEBEXJB-YZGWKJHDSA-N 2 1 324.472 2.729 20 0 DFADMP Cc1ncc(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)n1C ZINC000657433656 431752351 /nfs/dbraw/zinc/75/23/51/431752351.db2.gz YDAPEQSHEBEXJB-YSIASYRMSA-N 2 1 324.472 2.729 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[NH+](C[C@H](O)C[N@H+](C)C(C)C)C1 ZINC000647964465 431753109 /nfs/dbraw/zinc/75/31/09/431753109.db2.gz LNFBKQVMPVYPAY-KZNAEPCWSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000647964465 431753112 /nfs/dbraw/zinc/75/31/12/431753112.db2.gz LNFBKQVMPVYPAY-KZNAEPCWSA-N 2 1 304.478 2.874 20 0 DFADMP Cc1ccccc1[C@@H]1C[C@@H](C)[N@@H+](C[C@H](O)C[NH+](C)C(C)C)C1 ZINC000647964465 431753121 /nfs/dbraw/zinc/75/31/21/431753121.db2.gz LNFBKQVMPVYPAY-KZNAEPCWSA-N 2 1 304.478 2.874 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964571 431754000 /nfs/dbraw/zinc/75/40/00/431754000.db2.gz PGMJDZLIJILYRE-PBHICJAKSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964571 431754004 /nfs/dbraw/zinc/75/40/04/431754004.db2.gz PGMJDZLIJILYRE-PBHICJAKSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964571 431754010 /nfs/dbraw/zinc/75/40/10/431754010.db2.gz PGMJDZLIJILYRE-PBHICJAKSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+](C)[C@H](C)Cc1ccc(Cl)cc1 ZINC000647964571 431754013 /nfs/dbraw/zinc/75/40/13/431754013.db2.gz PGMJDZLIJILYRE-PBHICJAKSA-N 2 1 312.885 2.904 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+](CCc1cccc(F)c1)C1CC1 ZINC000647963893 431756766 /nfs/dbraw/zinc/75/67/66/431756766.db2.gz GSKJCBPXDKTASV-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+](CCc1cccc(F)c1)C1CC1 ZINC000647963893 431756774 /nfs/dbraw/zinc/75/67/74/431756774.db2.gz GSKJCBPXDKTASV-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+](CCc1cccc(F)c1)C1CC1 ZINC000647963893 431756779 /nfs/dbraw/zinc/75/67/79/431756779.db2.gz GSKJCBPXDKTASV-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+](CCc1cccc(F)c1)C1CC1 ZINC000647963893 431756785 /nfs/dbraw/zinc/75/67/85/431756785.db2.gz GSKJCBPXDKTASV-GOSISDBHSA-N 2 1 308.441 2.534 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2coc(C)n2)CC1 ZINC000647969903 431760449 /nfs/dbraw/zinc/76/04/49/431760449.db2.gz XHVSBQBWSQTGFI-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2coc(C)n2)CC1 ZINC000647969903 431760455 /nfs/dbraw/zinc/76/04/55/431760455.db2.gz XHVSBQBWSQTGFI-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)c1 ZINC000647975227 431760922 /nfs/dbraw/zinc/76/09/22/431760922.db2.gz RGKVCSFZQKKDNR-DLBZAZTESA-N 2 1 315.461 2.645 20 0 DFADMP CC(C)(C)c1noc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975731 431763002 /nfs/dbraw/zinc/76/30/02/431763002.db2.gz FJLPIKDCKYMDMZ-UONOGXRCSA-N 2 1 306.454 2.579 20 0 DFADMP CC(C)(C)c1noc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647975731 431763007 /nfs/dbraw/zinc/76/30/07/431763007.db2.gz FJLPIKDCKYMDMZ-UONOGXRCSA-N 2 1 306.454 2.579 20 0 DFADMP Fc1ccccc1OCC[N@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647975882 431763141 /nfs/dbraw/zinc/76/31/41/431763141.db2.gz HDVWKRKPZAADAZ-JKSUJKDBSA-N 2 1 306.425 2.916 20 0 DFADMP Fc1cccc(C2(NCc3cnc4n3CCC4)CCOCC2)c1 ZINC000657382858 431715235 /nfs/dbraw/zinc/71/52/35/431715235.db2.gz UAILNSANIUHKPQ-UHFFFAOYSA-N 2 1 315.392 2.764 20 0 DFADMP CCc1cc2c(ncnc2NCC[N@H+](C)CCC[NH+](C)C)s1 ZINC000664247403 431715529 /nfs/dbraw/zinc/71/55/29/431715529.db2.gz LYFXVRYLTDGLFQ-UHFFFAOYSA-N 2 1 321.494 2.549 20 0 DFADMP CCc1cc2c(ncnc2NCC[N@@H+](C)CCC[NH+](C)C)s1 ZINC000664247403 431715535 /nfs/dbraw/zinc/71/55/35/431715535.db2.gz LYFXVRYLTDGLFQ-UHFFFAOYSA-N 2 1 321.494 2.549 20 0 DFADMP CCc1nc2sccc2c(NCC[N@H+](C)CCC[NH+](C)C)n1 ZINC000664247896 431716066 /nfs/dbraw/zinc/71/60/66/431716066.db2.gz JWJUCBHNPPPEPB-UHFFFAOYSA-N 2 1 321.494 2.549 20 0 DFADMP CCc1nc2sccc2c(NCC[N@@H+](C)CCC[NH+](C)C)n1 ZINC000664247896 431716072 /nfs/dbraw/zinc/71/60/72/431716072.db2.gz JWJUCBHNPPPEPB-UHFFFAOYSA-N 2 1 321.494 2.549 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CCN(c2[nH+]ccc3[nH]ccc32)C1 ZINC000647878313 431717073 /nfs/dbraw/zinc/71/70/73/431717073.db2.gz XUROQNUOAMYHOH-MRXNPFEDSA-N 2 1 321.428 2.916 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904237 431722607 /nfs/dbraw/zinc/72/26/07/431722607.db2.gz ZOPIFFPLXKDWGP-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP C[C@H](C(=O)N(C)C1CCCCC1)[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647904237 431722612 /nfs/dbraw/zinc/72/26/12/431722612.db2.gz ZOPIFFPLXKDWGP-NUJGCVRESA-N 2 1 321.509 2.630 20 0 DFADMP Cc1ccccc1-n1cc(CN(C)[C@H]2CC[N@H+](C)C[C@@H]2C)cn1 ZINC000648035851 431794330 /nfs/dbraw/zinc/79/43/30/431794330.db2.gz SKWSAMUSRXICIS-WMZOPIPTSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(C[N@@H+](C)[C@H]2CCN(C)C[C@@H]2C)cn1 ZINC000648035851 431794335 /nfs/dbraw/zinc/79/43/35/431794335.db2.gz SKWSAMUSRXICIS-WMZOPIPTSA-N 2 1 312.461 2.953 20 0 DFADMP Cc1ccccc1-n1cc(C[N@H+](C)[C@H]2CCN(C)C[C@@H]2C)cn1 ZINC000648035851 431794339 /nfs/dbraw/zinc/79/43/39/431794339.db2.gz SKWSAMUSRXICIS-WMZOPIPTSA-N 2 1 312.461 2.953 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](C/C=C\c1ccc(F)cc1F)CCO2 ZINC000648072284 431809324 /nfs/dbraw/zinc/80/93/24/431809324.db2.gz VOXPWOZPSOAKKR-IHWYPQMZSA-N 2 1 322.399 2.775 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C/C=C\c1ccc(F)cc1F)CCO2 ZINC000648072284 431809329 /nfs/dbraw/zinc/80/93/29/431809329.db2.gz VOXPWOZPSOAKKR-IHWYPQMZSA-N 2 1 322.399 2.775 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1CC1(C)C ZINC000657597276 431820221 /nfs/dbraw/zinc/82/02/21/431820221.db2.gz SADYJWQYYWLHCL-JCGIZDLHSA-N 2 1 302.462 2.777 20 0 DFADMP Cc1sccc1C[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000657595805 431820282 /nfs/dbraw/zinc/82/02/82/431820282.db2.gz KCPFIBIBUBFBJZ-SFHVURJKSA-N 2 1 316.470 2.913 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@@H](O)C2)cc1)[C@@H]1CC1(C)C ZINC000657597277 431821646 /nfs/dbraw/zinc/82/16/46/431821646.db2.gz SADYJWQYYWLHCL-QGTPRVQTSA-N 2 1 302.462 2.777 20 0 DFADMP CCO[C@H]1C[C@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000657612031 431825895 /nfs/dbraw/zinc/82/58/95/431825895.db2.gz RRWKSOAFHOKCFM-WGSAOQKQSA-N 2 1 320.452 2.990 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)NC(=O)[C@H]([NH3+])c1cccc(Cl)c1 ZINC000648153961 431826311 /nfs/dbraw/zinc/82/63/11/431826311.db2.gz KQZRKYJKPWBJLD-SWLSCSKDSA-N 2 1 311.857 2.576 20 0 DFADMP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](C[C@@H](C)O)[C@@H](C)C1 ZINC000248399562 281308117 /nfs/dbraw/zinc/30/81/17/281308117.db2.gz VYZHWFRKYCBKCV-JKSUJKDBSA-N 2 1 313.445 2.743 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C ZINC000357629164 282024239 /nfs/dbraw/zinc/02/42/39/282024239.db2.gz DLHCAKAKZWVCEQ-CVEARBPZSA-N 2 1 311.514 2.780 20 0 DFADMP Cc1nc2c(s1)[C@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)CCC2 ZINC000305135986 282042691 /nfs/dbraw/zinc/04/26/91/282042691.db2.gz ONAUVGSBULDPDG-LSDHHAIUSA-N 2 1 323.506 2.655 20 0 DFADMP CC[C@]1(C(=O)NC[C@@H](c2ccccc2Cl)[NH+](C)C)CCC[NH2+]1 ZINC000184150066 288427640 /nfs/dbraw/zinc/42/76/40/288427640.db2.gz NOXROHKKOIUJSL-DOTOQJQBSA-N 2 1 323.868 2.591 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@]2(CO)C[C@@H]2c2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353640730 290220755 /nfs/dbraw/zinc/22/07/55/290220755.db2.gz HNMKIXIMOPIHJM-YHDCXSKOSA-N 2 1 314.473 2.615 20 0 DFADMP COc1ccc(C[NH2+]C2CCN(c3cccc(C)[nH+]3)CC2)cn1 ZINC000436248486 296994381 /nfs/dbraw/zinc/99/43/81/296994381.db2.gz SSZCPPZEZMXESW-UHFFFAOYSA-N 2 1 312.417 2.552 20 0 DFADMP Cc1ccc2[nH+]ccc(N3CCC([N@H+](C)C[C@@H](C)O)CC3)c2c1 ZINC000436433079 297003158 /nfs/dbraw/zinc/00/31/58/297003158.db2.gz MHQBPHZCQKNARU-OAHLLOKOSA-N 2 1 313.445 2.825 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccccc2N(C)C(C)C)CC1 ZINC000437089012 297054171 /nfs/dbraw/zinc/05/41/71/297054171.db2.gz FNGMTHMKILBOSV-UHFFFAOYSA-N 2 1 319.493 2.732 20 0 DFADMP CO[C@H](C)[C@H](C)[NH2+]Cc1ccccc1C[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000358026027 294334718 /nfs/dbraw/zinc/33/47/18/294334718.db2.gz UHUAPWIECQQMSI-VVLHAWIVSA-N 2 1 320.477 2.809 20 0 DFADMP CC(C)[C@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H](O)C[NH+](C)C ZINC000154358174 295298034 /nfs/dbraw/zinc/29/80/34/295298034.db2.gz GAHIDXSLLKPTOA-SJORKVTESA-N 2 1 312.885 2.809 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC(F)F ZINC000156058819 295330128 /nfs/dbraw/zinc/33/01/28/295330128.db2.gz WOWBTJSESJPDMN-CMPLNLGQSA-N 2 1 300.349 2.608 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]([NH3+])C[C@@H]2C)cc1OC(F)F ZINC000156058819 295330130 /nfs/dbraw/zinc/33/01/30/295330130.db2.gz WOWBTJSESJPDMN-CMPLNLGQSA-N 2 1 300.349 2.608 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCC[N@@H+](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097365 295358230 /nfs/dbraw/zinc/35/82/30/295358230.db2.gz XHHSPDKBOANQNM-SJORKVTESA-N 3 1 319.493 2.619 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CCCN(C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000158097365 295358232 /nfs/dbraw/zinc/35/82/32/295358232.db2.gz XHHSPDKBOANQNM-SJORKVTESA-N 2 1 319.493 2.619 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1 ZINC000158144713 295358945 /nfs/dbraw/zinc/35/89/45/295358945.db2.gz PLHULKAATNACGL-HZPDHXFCSA-N 2 1 306.450 2.704 20 0 DFADMP CCC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@@H]1CO)c1ccccn1 ZINC000159090344 295371657 /nfs/dbraw/zinc/37/16/57/295371657.db2.gz ADXMFXVSVAMXLU-IAGOWNOFSA-N 2 1 305.466 2.749 20 0 DFADMP C[C@@H]([NH2+]CCc1ccc(Br)s1)[C@@H]1CCC[NH2+]1 ZINC000400328839 295496997 /nfs/dbraw/zinc/49/69/97/295496997.db2.gz CGYUQFXQEADJEW-KOLCDFICSA-N 2 1 303.269 2.783 20 0 DFADMP C[C@H]([NH2+]Cc1cc(Br)ccc1F)[C@H]1CC[NH2+]C1 ZINC000400728849 295498525 /nfs/dbraw/zinc/49/85/25/295498525.db2.gz IEKKEHBOHZKTBU-UWVGGRQHSA-N 2 1 301.203 2.676 20 0 DFADMP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]CCC[NH+]1CCCC1 ZINC000439076840 297113962 /nfs/dbraw/zinc/11/39/62/297113962.db2.gz JWIUHWIULJEDHO-AWEZNQCLSA-N 2 1 319.449 2.790 20 0 DFADMP CC[C@@H]1C[NH+](C/C=C/C[N@H+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470872 297127220 /nfs/dbraw/zinc/12/72/20/297127220.db2.gz FEFBBCSJGLFIGL-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP CC[C@@H]1C[N@H+](C/C=C/C[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470872 297127221 /nfs/dbraw/zinc/12/72/21/297127221.db2.gz FEFBBCSJGLFIGL-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP CC[C@@H]1C[N@@H+](C/C=C/C[NH+]2CCCO[C@@H](CC)C2)CCCO1 ZINC000439470872 297127222 /nfs/dbraw/zinc/12/72/22/297127222.db2.gz FEFBBCSJGLFIGL-FBLDJFESSA-N 2 1 310.482 2.544 20 0 DFADMP CC[C@H](C(=O)NC[C@@H]1CCCC[N@H+]1CC(C)C)[NH+](CC)CC ZINC000439701294 297135635 /nfs/dbraw/zinc/13/56/35/297135635.db2.gz JKOQOQRBADGZOZ-DLBZAZTESA-N 2 1 311.514 2.734 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440256786 297148860 /nfs/dbraw/zinc/14/88/60/297148860.db2.gz CXQBIKJQWSCHBY-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC000440268893 297149445 /nfs/dbraw/zinc/14/94/45/297149445.db2.gz NXIGJTJBUIZNRE-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC000440268893 297149447 /nfs/dbraw/zinc/14/94/47/297149447.db2.gz NXIGJTJBUIZNRE-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP CCC[NH+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440268893 297149448 /nfs/dbraw/zinc/14/94/48/297149448.db2.gz NXIGJTJBUIZNRE-WMZOPIPTSA-N 2 1 321.509 2.584 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCCOc1ccccc1 ZINC000441172505 297174157 /nfs/dbraw/zinc/17/41/57/297174157.db2.gz HEEOMGBHYUSBQM-NEWSRXKRSA-N 2 1 318.461 2.639 20 0 DFADMP CCc1ccc(CC[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@@H]32)cc1 ZINC000441262300 297177808 /nfs/dbraw/zinc/17/78/08/297177808.db2.gz VPVRWUWAHFEAEV-SLFFLAALSA-N 2 1 316.489 2.975 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]C/C=C/c2ccc(F)cc2F)CC1(C)C ZINC000441333378 297179878 /nfs/dbraw/zinc/17/98/78/297179878.db2.gz LUQAGINOVFFMKZ-SNAWJCMRSA-N 2 1 323.431 2.594 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CC[NH+](CC2(C)COC2)CC1 ZINC000441502411 297185114 /nfs/dbraw/zinc/18/51/14/297185114.db2.gz FQCSJPMHPCJJHV-UHFFFAOYSA-N 2 1 302.462 2.867 20 0 DFADMP C[C@@H]1C[C@@H](C[NH3+])C[N@H+]1CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000442788778 297206361 /nfs/dbraw/zinc/20/63/61/297206361.db2.gz IZMODPCAWJAIDH-NEPJUHHUSA-N 2 1 320.824 2.602 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2cc(C(F)(F)F)n[nH]2)C[C@@H]1C ZINC000442886842 297209578 /nfs/dbraw/zinc/20/95/78/297209578.db2.gz UURYXDUCVVHQRL-JQWIXIFHSA-N 2 1 304.360 2.733 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@@H+](Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000442916837 297211044 /nfs/dbraw/zinc/21/10/44/297211044.db2.gz ARKAOYMTOXVMLM-LBPRGKRZSA-N 2 1 320.387 2.916 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(OC(F)F)c1 ZINC000442921318 297211306 /nfs/dbraw/zinc/21/13/06/297211306.db2.gz IQEUKMGSBLXCER-GFCCVEGCSA-N 2 1 314.376 2.857 20 0 DFADMP CC(C)[C@@H](NC(=O)C[N@H+]1CCC[C@@H](CC[NH3+])C1)c1ccccc1 ZINC000443058439 297213841 /nfs/dbraw/zinc/21/38/41/297213841.db2.gz ADHLTNHNOOPUIS-QFBILLFUSA-N 2 1 317.477 2.561 20 0 DFADMP CSc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)cc1 ZINC000443057650 297213947 /nfs/dbraw/zinc/21/39/47/297213947.db2.gz HNWRXCXWDZDKHT-ZIAGYGMSSA-N 2 1 321.490 2.796 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccc(Cl)cc1 ZINC000443063433 297214341 /nfs/dbraw/zinc/21/43/41/297214341.db2.gz WOWROYZZXFWDGU-UONOGXRCSA-N 2 1 323.868 2.578 20 0 DFADMP C[C@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443066085 297214884 /nfs/dbraw/zinc/21/48/84/297214884.db2.gz DIXKBSLIFNHMIG-KGLIPLIRSA-N 2 1 300.406 2.858 20 0 DFADMP CO[C@@H]1CC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)[C@@H](C)C1 ZINC000443075776 297215313 /nfs/dbraw/zinc/21/53/13/297215313.db2.gz VXIZFMUXAKSWQF-SUMWQHHRSA-N 2 1 300.406 2.575 20 0 DFADMP Cc1sc(NC(=O)C[N@H+]2CCC[C@H](CC[NH3+])C2)c(C)c1C ZINC000443077423 297215397 /nfs/dbraw/zinc/21/53/97/297215397.db2.gz URNAIXPEPXSQCS-CQSZACIVSA-N 2 1 309.479 2.673 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443083538 297215445 /nfs/dbraw/zinc/21/54/45/297215445.db2.gz CVPPGNXPJRXJJE-SFHVURJKSA-N 2 1 321.509 2.774 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[N@@H+]1CCCC(C)(C)C1 ZINC000444630165 297242246 /nfs/dbraw/zinc/24/22/46/297242246.db2.gz NPRRMSAOVXKESB-UHFFFAOYSA-N 2 1 320.481 2.635 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000444630165 297242248 /nfs/dbraw/zinc/24/22/48/297242248.db2.gz NPRRMSAOVXKESB-UHFFFAOYSA-N 2 1 320.481 2.635 20 0 DFADMP Cn1ccc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)n1 ZINC000447603529 297310628 /nfs/dbraw/zinc/31/06/28/297310628.db2.gz YBGWVOTYQJIRKR-ACDBMABISA-N 2 1 324.472 2.748 20 0 DFADMP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+](CC(C)C)C1)[NH+](CC)CC ZINC000448444907 297339954 /nfs/dbraw/zinc/33/99/54/297339954.db2.gz RJDDONNMLPKLTE-DLBZAZTESA-N 2 1 311.514 2.591 20 0 DFADMP C[C@@H]1CN(CC[C@@H]2CCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000448552020 297342410 /nfs/dbraw/zinc/34/24/10/297342410.db2.gz JCOKINCLDFJOIS-QUCCMNQESA-N 2 1 315.505 2.925 20 0 DFADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000448552020 297342413 /nfs/dbraw/zinc/34/24/13/297342413.db2.gz JCOKINCLDFJOIS-QUCCMNQESA-N 2 1 315.505 2.925 20 0 DFADMP C[C@@H]1CN(CC[C@@H]2CCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000448552020 297342415 /nfs/dbraw/zinc/34/24/15/297342415.db2.gz JCOKINCLDFJOIS-QUCCMNQESA-N 2 1 315.505 2.925 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2cc(F)cc(OC)c2)C1 ZINC000449035815 297395542 /nfs/dbraw/zinc/39/55/42/297395542.db2.gz HWSBTXHHWRQQIV-KRWDZBQOSA-N 2 1 324.440 2.767 20 0 DFADMP CCc1[nH+]ccn1[C@H]1CCCN(C(=O)[C@H](CC(C)(C)C)[NH2+]C)C1 ZINC000449123124 297409246 /nfs/dbraw/zinc/40/92/46/297409246.db2.gz MQXONEFYIJQIRI-GJZGRUSLSA-N 2 1 320.481 2.633 20 0 DFADMP c1cc2c(cc1C[NH2+]CCC[NH+]1CCCC1)OCCCCO2 ZINC000449218533 297424630 /nfs/dbraw/zinc/42/46/30/297424630.db2.gz JHKQCTQODNMAFJ-UHFFFAOYSA-N 2 1 304.434 2.814 20 0 DFADMP C[C@@H](C[NH2+]C1(CCO)CC[NH+](C)CC1)c1cc(F)cc(F)c1 ZINC000449243148 297427820 /nfs/dbraw/zinc/42/78/20/297427820.db2.gz IMHDLXMPKNCGNB-ZDUSSCGKSA-N 2 1 312.404 2.505 20 0 DFADMP Cn1nccc1CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453074358 298059803 /nfs/dbraw/zinc/05/98/03/298059803.db2.gz HMJPIOCYLLDGIQ-AQNXPRMDSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453074358 298059805 /nfs/dbraw/zinc/05/98/05/298059805.db2.gz HMJPIOCYLLDGIQ-AQNXPRMDSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1nccc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453074358 298059806 /nfs/dbraw/zinc/05/98/06/298059806.db2.gz HMJPIOCYLLDGIQ-AQNXPRMDSA-N 2 1 324.472 2.953 20 0 DFADMP C[NH+](C)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1Cc1ccc(Cl)cc1 ZINC000453099387 298061860 /nfs/dbraw/zinc/06/18/60/298061860.db2.gz KSSDSGDKUAYKLQ-UAGQMJEPSA-N 2 1 310.869 2.563 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(F)F ZINC000453123046 298064788 /nfs/dbraw/zinc/06/47/88/298064788.db2.gz FPVOWEALZRWCFT-QBPKDAKJSA-N 2 1 324.415 2.645 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@H+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453170832 298068155 /nfs/dbraw/zinc/06/81/55/298068155.db2.gz DSSSOWUKZKVUSB-HNNXBMFYSA-N 2 1 310.445 3.000 20 0 DFADMP C[C@H]([NH2+]CC1=CC[N@@H+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453170832 298068156 /nfs/dbraw/zinc/06/81/56/298068156.db2.gz DSSSOWUKZKVUSB-HNNXBMFYSA-N 2 1 310.445 3.000 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@H](C)[C@H]1CCC[N@H+](C2CCC2)C1 ZINC000453198195 298071059 /nfs/dbraw/zinc/07/10/59/298071059.db2.gz OUTRZNVOWXXHAO-OAGGEKHMSA-N 2 1 302.466 2.650 20 0 DFADMP C[C@H](C(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000253545346 298075716 /nfs/dbraw/zinc/07/57/16/298075716.db2.gz OPCJRHCYFFSIPJ-XDNAFOTISA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000453303429 298081638 /nfs/dbraw/zinc/08/16/38/298081638.db2.gz BYIBVZSWFLLLOZ-RYUDHWBXSA-N 2 1 300.805 2.930 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]CCOc2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000453303429 298081642 /nfs/dbraw/zinc/08/16/42/298081642.db2.gz BYIBVZSWFLLLOZ-RYUDHWBXSA-N 2 1 300.805 2.930 20 0 DFADMP COC[C@H](C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)c1ccc(Cl)cc1 ZINC000453313950 298082569 /nfs/dbraw/zinc/08/25/69/298082569.db2.gz DZGFTEDHBSZOOF-UKPHBRMFSA-N 2 1 310.869 3.000 20 0 DFADMP CCC1(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)COC1 ZINC000453336543 298084474 /nfs/dbraw/zinc/08/44/74/298084474.db2.gz AHAQVQRQKIPRGJ-AEFFLSMTSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC1(CO)CC1 ZINC000453366992 298087164 /nfs/dbraw/zinc/08/71/64/298087164.db2.gz WOFRMKCVDUXFBF-SJLPKXTDSA-N 2 1 302.462 2.649 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453413968 298091858 /nfs/dbraw/zinc/09/18/58/298091858.db2.gz WVUAFFITQBXPCE-JKSUJKDBSA-N 2 1 304.482 2.910 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453420630 298093382 /nfs/dbraw/zinc/09/33/82/298093382.db2.gz ZREBHUVFONWHBQ-XLIONFOSSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CCC[C@@H]1O)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453634914 298107222 /nfs/dbraw/zinc/10/72/22/298107222.db2.gz SZXHEBRXCKNBGO-NQYYFHDYSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]([NH2+]C[C@H]1CCC[C@@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000453634915 298107503 /nfs/dbraw/zinc/10/75/03/298107503.db2.gz SZXHEBRXCKNBGO-OWYHZJEWSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)(C)OC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC[NH+]2CCC2)C1 ZINC000496375139 300054050 /nfs/dbraw/zinc/05/40/50/300054050.db2.gz NGACPQVGXWHXND-LSDHHAIUSA-N 2 1 311.470 2.508 20 0 DFADMP CC(C)COC(=O)N1CCC([NH2+][C@@H](C)C[N@H+](C)C(C)C)CC1 ZINC000496840901 300122004 /nfs/dbraw/zinc/12/20/04/300122004.db2.gz UEDJHZNOEZLEKU-HNNXBMFYSA-N 2 1 313.486 2.562 20 0 DFADMP CC(C)COC(=O)N1CCC([NH2+][C@@H](C)C[N@@H+](C)C(C)C)CC1 ZINC000496840901 300122005 /nfs/dbraw/zinc/12/20/05/300122005.db2.gz UEDJHZNOEZLEKU-HNNXBMFYSA-N 2 1 313.486 2.562 20 0 DFADMP CN(CCC[N@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000497092293 300160123 /nfs/dbraw/zinc/16/01/23/300160123.db2.gz VLUXECGNYUSAMT-UHFFFAOYSA-N 2 1 324.469 2.542 20 0 DFADMP CN(CCC[N@@H+](C)CCCc1c[nH+]cn1C)C(=O)OC(C)(C)C ZINC000497092293 300160126 /nfs/dbraw/zinc/16/01/26/300160126.db2.gz VLUXECGNYUSAMT-UHFFFAOYSA-N 2 1 324.469 2.542 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)OC(C)(C)C ZINC000497209024 300178265 /nfs/dbraw/zinc/17/82/65/300178265.db2.gz JQCJLHYIGOTHOD-HUUCEWRRSA-N 2 1 322.453 2.617 20 0 DFADMP CC[N@@H+]1C[C@H](C)N(c2cc(C(C)C)[nH+]c(N(C)C)n2)C[C@H]1C ZINC000497517326 300191088 /nfs/dbraw/zinc/19/10/88/300191088.db2.gz XOEOBSMTRFTVCM-KGLIPLIRSA-N 2 1 305.470 2.585 20 0 DFADMP CC[N@H+]1C[C@H](C)N(c2cc(C(C)C)[nH+]c(N(C)C)n2)C[C@H]1C ZINC000497517326 300191090 /nfs/dbraw/zinc/19/10/90/300191090.db2.gz XOEOBSMTRFTVCM-KGLIPLIRSA-N 2 1 305.470 2.585 20 0 DFADMP CC(C)[NH+]1CCN(c2cccc(N[C@@H]3C[N@@H+](C)C[C@H]3C)c2)CC1 ZINC000503269228 300219682 /nfs/dbraw/zinc/21/96/82/300219682.db2.gz YJPXWFOTYNNHKC-VQIMIIECSA-N 2 1 316.493 2.579 20 0 DFADMP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000514730210 300268839 /nfs/dbraw/zinc/26/88/39/300268839.db2.gz KAQGPIOSMKFHQZ-YJBOKZPZSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000515634251 300315862 /nfs/dbraw/zinc/31/58/62/300315862.db2.gz UFBXIRNAXHIFPW-SJLPKXTDSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@@H]1CCC[NH2+]C1 ZINC000515634251 300315864 /nfs/dbraw/zinc/31/58/64/300315864.db2.gz UFBXIRNAXHIFPW-SJLPKXTDSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]([NH+]3CCCCCC3)C2)CC[N@H+]1C ZINC000377959379 300399144 /nfs/dbraw/zinc/39/91/44/300399144.db2.gz ZWEASXUBIRLLJY-OKZBNKHCSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@H](C)C2CC(F)(F)C2)CC1 ZINC000529543441 300947471 /nfs/dbraw/zinc/94/74/71/300947471.db2.gz KVGFLUJYXWKHNY-CYBMUJFWSA-N 2 1 304.425 2.899 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000530222986 301031865 /nfs/dbraw/zinc/03/18/65/301031865.db2.gz IYADKHUHSANPGP-CRAIPNDOSA-N 2 1 320.452 2.847 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](C)c2ncccc2F)cc1 ZINC000530236247 301033211 /nfs/dbraw/zinc/03/32/11/301033211.db2.gz PLOVIWDKWGWPNW-GXTWGEPZSA-N 2 1 303.381 2.622 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000530272199 301037385 /nfs/dbraw/zinc/03/73/85/301037385.db2.gz GKAIWHVDZGJSTO-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000530272199 301037387 /nfs/dbraw/zinc/03/73/87/301037387.db2.gz GKAIWHVDZGJSTO-WMZOPIPTSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CC[N@@H+]1C1CCCCC1 ZINC000530272196 301037529 /nfs/dbraw/zinc/03/75/29/301037529.db2.gz GKAIWHVDZGJSTO-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP C[NH+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CC[N@H+]1C1CCCCC1 ZINC000530272196 301037531 /nfs/dbraw/zinc/03/75/31/301037531.db2.gz GKAIWHVDZGJSTO-AEFFLSMTSA-N 2 1 321.509 2.774 20 0 DFADMP COc1cc2c(NCC[N@@H+]3CCO[C@@H](C)C3)cc[nH+]c2cc1F ZINC000530369916 301043031 /nfs/dbraw/zinc/04/30/31/301043031.db2.gz WPWBECHWLXXBJP-LBPRGKRZSA-N 2 1 319.380 2.515 20 0 DFADMP COc1cc2c(NCC[N@H+]3CCO[C@@H](C)C3)cc[nH+]c2cc1F ZINC000530369916 301043032 /nfs/dbraw/zinc/04/30/32/301043032.db2.gz WPWBECHWLXXBJP-LBPRGKRZSA-N 2 1 319.380 2.515 20 0 DFADMP CC(C)[C@@H](COCc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000530407345 301046121 /nfs/dbraw/zinc/04/61/21/301046121.db2.gz QNWGSHCZQQEWNH-GOSISDBHSA-N 2 1 301.434 2.794 20 0 DFADMP C[C@H](NCC[N@@H+]1CC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728696 301106861 /nfs/dbraw/zinc/10/68/61/301106861.db2.gz FCYUWWZRZXLFBZ-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H](NCC[N@H+]1CC[C@H](C)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000531728696 301106863 /nfs/dbraw/zinc/10/68/63/301106863.db2.gz FCYUWWZRZXLFBZ-IRXDYDNUSA-N 2 1 319.493 2.619 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1cccs1)N1CC[NH+](C)CC1)C1(C)CC1 ZINC000531932069 301119487 /nfs/dbraw/zinc/11/94/87/301119487.db2.gz IZESCRGJKZKBDY-LSDHHAIUSA-N 2 1 307.507 2.815 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)c1 ZINC000531936119 301119852 /nfs/dbraw/zinc/11/98/52/301119852.db2.gz HSFKOTZURRPPJK-JKIFEVAISA-N 2 1 303.450 2.853 20 0 DFADMP CCC(=O)Nc1cccc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000531936119 301119854 /nfs/dbraw/zinc/11/98/54/301119854.db2.gz HSFKOTZURRPPJK-JKIFEVAISA-N 2 1 303.450 2.853 20 0 DFADMP C[C@@H]1CC[N@H+](CCN[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000531983586 301123255 /nfs/dbraw/zinc/12/32/55/301123255.db2.gz WTOIVVGYVRFQBJ-ZHALLVOQSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[N@@H+](CCN[C@@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)C1 ZINC000531983586 301123259 /nfs/dbraw/zinc/12/32/59/301123259.db2.gz WTOIVVGYVRFQBJ-ZHALLVOQSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)C1 ZINC000531983586 301123262 /nfs/dbraw/zinc/12/32/62/301123262.db2.gz WTOIVVGYVRFQBJ-ZHALLVOQSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1CC[NH+](CCN[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)C1 ZINC000531983586 301123265 /nfs/dbraw/zinc/12/32/65/301123265.db2.gz WTOIVVGYVRFQBJ-ZHALLVOQSA-N 2 1 301.478 2.581 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+][C@H](C)c1ccc2c(c1)CCC(=O)N2 ZINC000532476578 301155025 /nfs/dbraw/zinc/15/50/25/301155025.db2.gz SGCIOLVIZXPIPM-CYBMUJFWSA-N 2 1 312.417 2.817 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CCN(Cc2cnc(-c3ccccc3)nc2)C1 ZINC000532639186 301164554 /nfs/dbraw/zinc/16/45/54/301164554.db2.gz RXUJYHRRCLGQSH-INIZCTEOSA-N 2 1 310.445 2.917 20 0 DFADMP CCO[C@@H](C)c1nc(C[N@@H+]2CC[C@@H](c3nccn3C)C2)cs1 ZINC000533865546 301215064 /nfs/dbraw/zinc/21/50/64/301215064.db2.gz QBBMOESODRYKGC-QWHCGFSZSA-N 2 1 320.462 2.964 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](C[C@@H]3CCCC(C)(C)C3)C2)CC1 ZINC000535087302 301248770 /nfs/dbraw/zinc/24/87/70/301248770.db2.gz JMHBHSGDNBIYNT-QZTJIDSGSA-N 2 1 307.526 2.915 20 0 DFADMP CCc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)s1 ZINC000536664472 301286847 /nfs/dbraw/zinc/28/68/47/301286847.db2.gz DLTACTDNTQXYPX-MAUKXSAKSA-N 2 1 321.534 2.768 20 0 DFADMP c1cn2c([nH+]1)CC[C@H](C[NH2+]Cc1cc(-c3ccccc3)n[nH]1)C2 ZINC000548095934 301565517 /nfs/dbraw/zinc/56/55/17/301565517.db2.gz HKVXHMGSGANUIR-CQSZACIVSA-N 2 1 307.401 2.625 20 0 DFADMP CC[C@@H]1CCC[C@@H]1C(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000562640183 301982515 /nfs/dbraw/zinc/98/25/15/301982515.db2.gz MIJPVOSRBAYFNR-CABCVRRESA-N 2 1 316.449 2.598 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959058 302018437 /nfs/dbraw/zinc/01/84/37/302018437.db2.gz QDNJHIDSCABAIA-ULQDDVLXSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H](NC[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959058 302018440 /nfs/dbraw/zinc/01/84/40/302018440.db2.gz QDNJHIDSCABAIA-ULQDDVLXSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959058 302018443 /nfs/dbraw/zinc/01/84/43/302018443.db2.gz QDNJHIDSCABAIA-ULQDDVLXSA-N 3 1 321.534 2.938 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCC[N@@H+](Cc2cccs2)C1)[C@H]1CCC[NH2+]C1 ZINC000562959058 302018446 /nfs/dbraw/zinc/01/84/46/302018446.db2.gz QDNJHIDSCABAIA-ULQDDVLXSA-N 3 1 321.534 2.938 20 0 DFADMP COC(=O)CC[C@@H](CC1CCCCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000563149118 302041741 /nfs/dbraw/zinc/04/17/41/302041741.db2.gz FTWUNVNDCUEPCT-KRWDZBQOSA-N 2 1 310.482 2.962 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H](C)C[NH+]1CCCCC1 ZINC000563440833 302073132 /nfs/dbraw/zinc/07/31/32/302073132.db2.gz NNQPRKWDYSYSOY-OAHLLOKOSA-N 2 1 313.449 2.540 20 0 DFADMP CCN(C[C@@H]1CCC[N@H+]1CC)C(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000563492002 302076738 /nfs/dbraw/zinc/07/67/38/302076738.db2.gz CJOWTQBCWDYXPB-NCOADZHNSA-N 2 1 309.498 2.581 20 0 DFADMP CCCC(C)(C)CC(=O)Nc1c[nH+]ccc1N1CC[NH+](C)CC1 ZINC000564714536 302152628 /nfs/dbraw/zinc/15/26/28/302152628.db2.gz XZQXCFSIPMJIFW-UHFFFAOYSA-N 2 1 318.465 2.988 20 0 DFADMP CC(C)C[N@H+]1CC[C@@H](C[NH2+]C[C@@H](O)CCc2ccccc2)C1 ZINC000564850277 302164368 /nfs/dbraw/zinc/16/43/68/302164368.db2.gz RUSAMNFJPDSPCM-OALUTQOASA-N 2 1 304.478 2.548 20 0 DFADMP C[N@@H+](CCC[NH3+])Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000564968757 302177865 /nfs/dbraw/zinc/17/78/65/302177865.db2.gz BTQPQYYIBUBDHC-UHFFFAOYSA-N 2 1 321.428 2.715 20 0 DFADMP CC[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155535 302198857 /nfs/dbraw/zinc/19/88/57/302198857.db2.gz GHJWTQMSFBNBAY-RTBURBONSA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155535 302198860 /nfs/dbraw/zinc/19/88/60/302198860.db2.gz GHJWTQMSFBNBAY-RTBURBONSA-N 2 1 304.478 2.644 20 0 DFADMP CC[NH+](C)C[C@@H](O)C[N@H+]1CC[C@@](C)(CCc2ccccc2)C1 ZINC000565155535 302198863 /nfs/dbraw/zinc/19/88/63/302198863.db2.gz GHJWTQMSFBNBAY-RTBURBONSA-N 2 1 304.478 2.644 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H]([NH2+]C[C@H]3CCCO3)CC23CC3)cc1 ZINC000565304471 302216777 /nfs/dbraw/zinc/21/67/77/302216777.db2.gz ZBYFCQLLEBUACA-ZWKOTPCHSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@H]([NH2+]C[C@H]3CCCO3)CC23CC3)cc1 ZINC000565304471 302216778 /nfs/dbraw/zinc/21/67/78/302216778.db2.gz ZBYFCQLLEBUACA-ZWKOTPCHSA-N 2 1 300.446 2.952 20 0 DFADMP CC[N@H+](Cc1ccc(Cl)c(Cl)c1)C[C@](C)(O)C[NH2+]C ZINC000565310601 302217194 /nfs/dbraw/zinc/21/71/94/302217194.db2.gz ZXQSBCRTBWYULD-CQSZACIVSA-N 2 1 305.249 2.786 20 0 DFADMP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@](C)(O)C[NH2+]C ZINC000565310601 302217197 /nfs/dbraw/zinc/21/71/97/302217197.db2.gz ZXQSBCRTBWYULD-CQSZACIVSA-N 2 1 305.249 2.786 20 0 DFADMP [NH3+]C1C[C@H]2CCC[C@@H](C1)C2[NH2+][C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000565409413 302223473 /nfs/dbraw/zinc/22/34/73/302223473.db2.gz HCDGXYRICRULIG-XGYUMRJFSA-N 3 1 313.489 2.975 20 0 DFADMP CC(C)c1ccc(C[C@H](C)[NH2+]C[C@H](O)C[N@H+](C)C2CC2)cc1 ZINC000566113038 302260706 /nfs/dbraw/zinc/26/07/06/302260706.db2.gz CFVPEABDRYDQMV-KXBFYZLASA-N 2 1 304.478 2.786 20 0 DFADMP CC(C)c1ccc(C[C@H](C)[NH2+]C[C@H](O)C[N@@H+](C)C2CC2)cc1 ZINC000566113038 302260710 /nfs/dbraw/zinc/26/07/10/302260710.db2.gz CFVPEABDRYDQMV-KXBFYZLASA-N 2 1 304.478 2.786 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853434 302392821 /nfs/dbraw/zinc/39/28/21/302392821.db2.gz AWJBXGMAPXCCCB-NXHRZFHOSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853434 302392826 /nfs/dbraw/zinc/39/28/26/302392826.db2.gz AWJBXGMAPXCCCB-NXHRZFHOSA-N 2 1 300.446 2.951 20 0 DFADMP CC[N@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H]1CCC[NH2+]CC1 ZINC000567872316 302395407 /nfs/dbraw/zinc/39/54/07/302395407.db2.gz KASZHTWEIYVYQF-RHSMWYFYSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@@H+](Cc1cc2c(cc1OC)C[C@@H](C)O2)[C@@H]1CCC[NH2+]CC1 ZINC000567872316 302395409 /nfs/dbraw/zinc/39/54/09/302395409.db2.gz KASZHTWEIYVYQF-RHSMWYFYSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H]1CCC[NH2+]CC1 ZINC000567872318 302395454 /nfs/dbraw/zinc/39/54/54/302395454.db2.gz KASZHTWEIYVYQF-YOEHRIQHSA-N 2 1 318.461 2.983 20 0 DFADMP CC[N@@H+](Cc1cc2c(cc1OC)C[C@H](C)O2)[C@H]1CCC[NH2+]CC1 ZINC000567872318 302395456 /nfs/dbraw/zinc/39/54/56/302395456.db2.gz KASZHTWEIYVYQF-YOEHRIQHSA-N 2 1 318.461 2.983 20 0 DFADMP Cc1nn(C(C)(C)C)cc1[C@@H](C)[NH2+]CCCc1c[nH+]cn1C ZINC000574050954 302738123 /nfs/dbraw/zinc/73/81/23/302738123.db2.gz NIHYDGPTYKNJOB-CYBMUJFWSA-N 2 1 303.454 2.963 20 0 DFADMP FC(F)(F)c1ccn([C@@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000261949813 303119486 /nfs/dbraw/zinc/11/94/86/303119486.db2.gz NVRXZJKRWOZJSY-CYBMUJFWSA-N 2 1 316.371 2.538 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@H](O)C1)c1ccoc1 ZINC000182269544 316093606 /nfs/dbraw/zinc/09/36/06/316093606.db2.gz UEXNWHATSNJQAC-KDOFPFPSSA-N 2 1 300.402 2.697 20 0 DFADMP C[C@@H]([NH2+]CC(=O)N1CCCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185659850 316190127 /nfs/dbraw/zinc/19/01/27/316190127.db2.gz KNVDPOJZSTYWQZ-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@@H]([NH2+]CC(=O)N1CCCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185659850 316190130 /nfs/dbraw/zinc/19/01/30/316190130.db2.gz KNVDPOJZSTYWQZ-IAGOWNOFSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+]CCOCC(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000185692479 316190666 /nfs/dbraw/zinc/19/06/66/316190666.db2.gz IOPNFCXSSKFLMO-QWHCGFSZSA-N 2 1 308.388 2.808 20 0 DFADMP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCCC[C@H]23)C1 ZINC000299872972 316235147 /nfs/dbraw/zinc/23/51/47/316235147.db2.gz QFDLEYNKCROZSX-ARFHVFGLSA-N 2 1 323.481 2.602 20 0 DFADMP COc1cc2c(cc1C[N@H+]1CCC[C@@H](CC[NH3+])C1)O[C@H](C)C2 ZINC000317068389 316246861 /nfs/dbraw/zinc/24/68/61/316246861.db2.gz ZJTOESVPZZCNPJ-KGLIPLIRSA-N 2 1 304.434 2.579 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)C2)cc1 ZINC000336704708 316299620 /nfs/dbraw/zinc/29/96/20/316299620.db2.gz GUKZXMNAOKSLIG-UFYCRDLUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704708 316299623 /nfs/dbraw/zinc/29/96/23/316299623.db2.gz GUKZXMNAOKSLIG-UFYCRDLUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(C[NH+]2CCC[C@H](N[C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704708 316299628 /nfs/dbraw/zinc/29/96/28/316299628.db2.gz GUKZXMNAOKSLIG-UFYCRDLUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704708 316299634 /nfs/dbraw/zinc/29/96/34/316299634.db2.gz GUKZXMNAOKSLIG-UFYCRDLUSA-N 2 1 313.489 2.867 20 0 DFADMP c1ccc(CN2CCC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000336704708 316299635 /nfs/dbraw/zinc/29/96/35/316299635.db2.gz GUKZXMNAOKSLIG-UFYCRDLUSA-N 2 1 313.489 2.867 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000349145275 316339480 /nfs/dbraw/zinc/33/94/80/316339480.db2.gz RVXMVMHKRROBLR-ZWKOTPCHSA-N 2 1 317.477 2.588 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]([NH3+])C(C)C)cc1Br ZINC000414801359 316662404 /nfs/dbraw/zinc/66/24/04/316662404.db2.gz UATZVQGAMUNQKQ-LBPRGKRZSA-N 2 1 301.228 2.531 20 0 DFADMP c1[nH+]c(C2CC[NH+](CC3CCOCC3)CC2)n2c1CCCC2 ZINC000434677017 316909255 /nfs/dbraw/zinc/90/92/55/316909255.db2.gz VQBYKLSYJLSGLN-UHFFFAOYSA-N 2 1 303.450 2.825 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](F)C2)CC1 ZINC000449385143 317034799 /nfs/dbraw/zinc/03/47/99/317034799.db2.gz DXGVNPVVGUKNTH-KRWDZBQOSA-N 2 1 305.441 2.762 20 0 DFADMP CCC[NH+]1CCN(c2ccccc2C[N@H+]2CC[C@H](F)C2)CC1 ZINC000449385143 317034802 /nfs/dbraw/zinc/03/48/02/317034802.db2.gz DXGVNPVVGUKNTH-KRWDZBQOSA-N 2 1 305.441 2.762 20 0 DFADMP CN(c1ccccc1C[N@@H+]1CC[C@@H](F)C1)C1CC[NH+](C)CC1 ZINC000449388671 317036704 /nfs/dbraw/zinc/03/67/04/317036704.db2.gz PXECKQZVHNELQP-MRXNPFEDSA-N 2 1 305.441 2.761 20 0 DFADMP CN(c1ccccc1C[N@H+]1CC[C@@H](F)C1)C1CC[NH+](C)CC1 ZINC000449388671 317036708 /nfs/dbraw/zinc/03/67/08/317036708.db2.gz PXECKQZVHNELQP-MRXNPFEDSA-N 2 1 305.441 2.761 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12)[C@H](C)O ZINC000449546532 317039901 /nfs/dbraw/zinc/03/99/01/317039901.db2.gz WAILYJHITWEOCJ-SXXASDTRSA-N 2 1 302.462 2.646 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)[C@H](C)O ZINC000449546533 317040272 /nfs/dbraw/zinc/04/02/72/317040272.db2.gz WAILYJHITWEOCJ-YCVVXREPSA-N 2 1 302.462 2.646 20 0 DFADMP CCc1cc(N[C@@H](C[NH+]2CCOCC2)c2ccccc2)cc[nH+]1 ZINC000450232330 317073394 /nfs/dbraw/zinc/07/33/94/317073394.db2.gz WCAFMYMJOXUVPW-IBGZPJMESA-N 2 1 311.429 2.551 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC/C=C/c3ccccc3)C2)CC1 ZINC000450384506 317088089 /nfs/dbraw/zinc/08/80/89/317088089.db2.gz BOFAARXQOBEEPG-FXVWLTTGSA-N 2 1 313.489 2.802 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](CC/C=C\c3ccccc3)C2)CC1 ZINC000450384507 317088112 /nfs/dbraw/zinc/08/81/12/317088112.db2.gz BOFAARXQOBEEPG-GFWYJJLOSA-N 2 1 313.489 2.802 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[N@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000450503448 317100556 /nfs/dbraw/zinc/10/05/56/317100556.db2.gz XPILOZQZZISAEN-LZQZEXGQSA-N 2 1 312.413 2.699 20 0 DFADMP COC[C@H]1CCCC[NH+]1CC(C)C[N@@H+]1CCCC[C@@H]1COC ZINC000452039433 317121264 /nfs/dbraw/zinc/12/12/64/317121264.db2.gz OHOUKGXWKPBOSQ-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453104350 317162771 /nfs/dbraw/zinc/16/27/71/317162771.db2.gz ZHQIZBORIDMNON-AQNXPRMDSA-N 2 1 324.472 2.953 20 0 DFADMP Cn1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)cn1 ZINC000453104350 317162773 /nfs/dbraw/zinc/16/27/73/317162773.db2.gz ZHQIZBORIDMNON-AQNXPRMDSA-N 2 1 324.472 2.953 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+]CC[C@@H](C)[N@@H+](C)Cc1ccccc1 ZINC000453146608 317164562 /nfs/dbraw/zinc/16/45/62/317164562.db2.gz XIIUPJZVMXUQFX-IAGOWNOFSA-N 2 1 312.461 2.908 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1CCC1 ZINC000453370082 317181228 /nfs/dbraw/zinc/18/12/28/317181228.db2.gz FKMVMLULXCJOBF-MNEFBYGVSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404447 317183758 /nfs/dbraw/zinc/18/37/58/317183758.db2.gz BGQBXAIZVVDCTG-HNNXBMFYSA-N 2 1 303.450 2.868 20 0 DFADMP COc1cc2c(c(C[NH2+]CCCC[N@@H+](C)C3CC3)c1)O[C@@H](C)C2 ZINC000453591569 317191878 /nfs/dbraw/zinc/19/18/78/317191878.db2.gz CSBSUJPKYZVFRC-AWEZNQCLSA-N 2 1 318.461 2.983 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+]CCCC[N@@H+](C)C2CC2)cn1 ZINC000453597427 317192738 /nfs/dbraw/zinc/19/27/38/317192738.db2.gz NKESJGSHAUUUSY-UHFFFAOYSA-N 2 1 304.482 2.890 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CCC3(O)CC3)C2)s1 ZINC000574576309 318025966 /nfs/dbraw/zinc/02/59/66/318025966.db2.gz KYFBYTWVLPHAPY-OAHLLOKOSA-N 2 1 308.491 2.725 20 0 DFADMP C[C@H](C[C@H]1CCC[NH2+]1)[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000574619746 318028631 /nfs/dbraw/zinc/02/86/31/318028631.db2.gz CKIXQSNSYUKGID-DGCLKSJQSA-N 2 1 317.355 2.643 20 0 DFADMP COc1ccc(C[C@H](C)C[N@H+]2CC[C@@H]3C[NH2+]C[C@H]3C2)cc1F ZINC000575059147 318060381 /nfs/dbraw/zinc/06/03/81/318060381.db2.gz HWVKVNPNJILHJN-IMJJTQAJSA-N 2 1 306.425 2.554 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccco1)N1CCCCC1)[C@@H]1CCC[NH2+]C1 ZINC000575243644 318072203 /nfs/dbraw/zinc/07/22/03/318072203.db2.gz UXWFFPMVEVCHIK-GVDBMIGSSA-N 2 1 305.466 2.784 20 0 DFADMP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2csc(C3CC3)n2)CC1 ZINC000576209806 318110650 /nfs/dbraw/zinc/11/06/50/318110650.db2.gz VJUYSDNMNXWALT-JKSUJKDBSA-N 2 1 321.490 2.739 20 0 DFADMP CCc1ccccc1NC(=O)C[C@H](C)[NH2+][C@H]1CCCC[NH2+]C1 ZINC000576726020 318146387 /nfs/dbraw/zinc/14/63/87/318146387.db2.gz ZQAOBCHFFPNTOU-HOCLYGCPSA-N 2 1 303.450 2.698 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000577280758 318182880 /nfs/dbraw/zinc/18/28/80/318182880.db2.gz MPIQHISIULJPQR-IHRRRGAJSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@H](NC(=O)[C@H](C)[N@H+]1CCC[C@@H](C[NH3+])C1)c1ccc(Cl)cc1 ZINC000577280758 318182881 /nfs/dbraw/zinc/18/28/81/318182881.db2.gz MPIQHISIULJPQR-IHRRRGAJSA-N 2 1 323.868 2.576 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CCN(C(=O)[C@@H]([NH3+])C(C)(C)C)CC1 ZINC000577283495 318183138 /nfs/dbraw/zinc/18/31/38/318183138.db2.gz ZJXCVZGBYDEPMR-NVXWUHKLSA-N 2 1 323.525 2.863 20 0 DFADMP CC[C@@H]1C[N@@H+](C[C@H](O)C[NH+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454579 318193125 /nfs/dbraw/zinc/19/31/25/318193125.db2.gz NRJKOJKMFBTEHW-BHIYHBOVSA-N 2 1 304.478 2.815 20 0 DFADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@H+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454579 318193127 /nfs/dbraw/zinc/19/31/27/318193127.db2.gz NRJKOJKMFBTEHW-BHIYHBOVSA-N 2 1 304.478 2.815 20 0 DFADMP CC[C@@H]1C[NH+](C[C@H](O)C[N@@H+](C)CC)CC[C@H]1c1ccccc1 ZINC000577454579 318193129 /nfs/dbraw/zinc/19/31/29/318193129.db2.gz NRJKOJKMFBTEHW-BHIYHBOVSA-N 2 1 304.478 2.815 20 0 DFADMP Cc1ccc(C[NH2+]CCN2CC[N@H+](C)C(C)(C)C2)c(Cl)c1 ZINC000577736313 318213504 /nfs/dbraw/zinc/21/35/04/318213504.db2.gz GRDYONZVPMWIOK-UHFFFAOYSA-N 2 1 309.885 2.764 20 0 DFADMP C[C@H]1C[C@@H]([NH3+])CC[N@H+]1CCC(=O)Nc1ccc(Cl)cc1F ZINC000578140001 318240687 /nfs/dbraw/zinc/24/06/87/318240687.db2.gz VQARRQABNHVJFY-JQWIXIFHSA-N 2 1 313.804 2.619 20 0 DFADMP Cc1cc(NC(=O)c2ccc(CC[NH+](C)C)cc2)cn2cc[nH+]c12 ZINC000578667603 318277245 /nfs/dbraw/zinc/27/72/45/318277245.db2.gz WKYBUEKLPHVTPH-UHFFFAOYSA-N 2 1 322.412 2.999 20 0 DFADMP CC(C)Oc1ccc([C@H](CN[C@@H]2CCC[C@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000579258217 318318618 /nfs/dbraw/zinc/31/86/18/318318618.db2.gz GCLFOHVBAGTAAD-SCTDSRPQSA-N 2 1 319.493 2.936 20 0 DFADMP Cc1cnccc1C[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000580035881 318369905 /nfs/dbraw/zinc/36/99/05/318369905.db2.gz GGDSKKXZZVGNNE-UHFFFAOYSA-N 2 1 311.429 2.512 20 0 DFADMP COc1cccc2c1CCC[C@@H]2[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000194862764 323273467 /nfs/dbraw/zinc/27/34/67/323273467.db2.gz LMJAJUWRLLZPNX-SFHVURJKSA-N 2 1 318.461 2.509 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCC[C@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379630137 323289103 /nfs/dbraw/zinc/28/91/03/323289103.db2.gz KUIMBJKFCQDXDD-LULLPPNCSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000379630137 323289108 /nfs/dbraw/zinc/28/91/08/323289108.db2.gz KUIMBJKFCQDXDD-LULLPPNCSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H](CC[NH2+]C1CC[NH+](C2CC2)CC1)NC(=O)OC(C)(C)C ZINC000381943224 323296650 /nfs/dbraw/zinc/29/66/50/323296650.db2.gz XUUDYZMIFVELHK-ZDUSSCGKSA-N 2 1 311.470 2.506 20 0 DFADMP CCN(CCC[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C)C(=O)OC(C)(C)C ZINC000382826388 323302199 /nfs/dbraw/zinc/30/21/99/323302199.db2.gz DGVDZPRJKPFBQG-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1[NH2+]CCc1ccc(Br)cc1 ZINC000383052260 323303461 /nfs/dbraw/zinc/30/34/61/323303461.db2.gz UNVSYVDAKWYUJG-DOMZBBRYSA-N 2 1 311.267 2.921 20 0 DFADMP c1ccc(COC[C@@H]2CC[N@H+](CC[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000384051507 323305522 /nfs/dbraw/zinc/30/55/22/323305522.db2.gz UDQLTAACVRAHAO-PKOBYXMFSA-N 2 1 302.462 2.915 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1(CN[C@H]2CCC[NH2+]CC2)CCC1 ZINC000386926479 323321100 /nfs/dbraw/zinc/32/11/00/323321100.db2.gz SIYNMFSNWBOCNX-SFHVURJKSA-N 2 1 301.478 2.773 20 0 DFADMP CN(Cc1ccccc1)C1(C[NH2+][C@H]2CCC[NH2+]CC2)CCC1 ZINC000386926479 323321107 /nfs/dbraw/zinc/32/11/07/323321107.db2.gz SIYNMFSNWBOCNX-SFHVURJKSA-N 2 1 301.478 2.773 20 0 DFADMP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000387678990 323327173 /nfs/dbraw/zinc/32/71/73/323327173.db2.gz RTHCJJZURKMOPG-RBSFLKMASA-N 2 1 313.486 2.704 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388742188 323332599 /nfs/dbraw/zinc/33/25/99/323332599.db2.gz CKIFIDSUGZSTKR-ICSRJNTNSA-N 2 1 315.505 2.973 20 0 DFADMP C[NH2+]CCC1CC[NH+](Cc2nc(-c3ccc(C)cc3)no2)CC1 ZINC000390242467 323340817 /nfs/dbraw/zinc/34/08/17/323340817.db2.gz VDJUEXZSMKNCQI-UHFFFAOYSA-N 2 1 314.433 2.867 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[NH+](C)C1 ZINC000398200968 323356566 /nfs/dbraw/zinc/35/65/66/323356566.db2.gz PMVXEASPAIHDRF-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[N@H+](C)C1 ZINC000398200968 323356568 /nfs/dbraw/zinc/35/65/68/323356568.db2.gz PMVXEASPAIHDRF-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CCC[N@@H+](C)C1 ZINC000398200968 323356571 /nfs/dbraw/zinc/35/65/71/323356571.db2.gz PMVXEASPAIHDRF-YZGWKJHDSA-N 2 1 315.505 2.828 20 0 DFADMP CC[NH+]1C[C@H](C)N(C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)[C@@H](C)C1 ZINC000580345498 323373692 /nfs/dbraw/zinc/37/36/92/323373692.db2.gz KMAOGIQZMPUPEP-ULQDDVLXSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1[nH+]cc(CNc2cccc(OCCC[NH+](C)C)c2)n1C ZINC000582976194 323773718 /nfs/dbraw/zinc/77/37/18/323773718.db2.gz ODTBFJBYMKDVOA-UHFFFAOYSA-N 2 1 302.422 2.671 20 0 DFADMP [NH3+][C@@H]1C[C@H]([NH2+]CCOc2ccc(Cl)cn2)c2ccccc21 ZINC000583806371 323916631 /nfs/dbraw/zinc/91/66/31/323916631.db2.gz AEVYPIPTQUQGHV-CABCVRRESA-N 2 1 303.793 2.848 20 0 DFADMP C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378689 337232961 /nfs/dbraw/zinc/23/29/61/337232961.db2.gz UBKDAELLZZCJSH-PBHICJAKSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378689 337232962 /nfs/dbraw/zinc/23/29/62/337232962.db2.gz UBKDAELLZZCJSH-PBHICJAKSA-N 2 1 316.474 2.850 20 0 DFADMP C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2cc(-n3ccnc3)cs2)C1 ZINC000584378689 337232963 /nfs/dbraw/zinc/23/29/63/337232963.db2.gz UBKDAELLZZCJSH-PBHICJAKSA-N 2 1 316.474 2.850 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000584408163 337319562 /nfs/dbraw/zinc/31/95/62/337319562.db2.gz YXRLNSZGMXYION-ROUUACIJSA-N 2 1 323.525 2.911 20 0 DFADMP COc1cc(C[N@H+](C)CC[C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000316674381 533785794 /nfs/dbraw/zinc/78/57/94/533785794.db2.gz VZFXWFLXVIOVPU-CQSZACIVSA-N 2 1 310.438 2.518 20 0 DFADMP COc1cc(C[N@@H+](C)CC[C@@H]([NH3+])C(C)C)cc(OC)c1OC ZINC000316674381 533785802 /nfs/dbraw/zinc/78/58/02/533785802.db2.gz VZFXWFLXVIOVPU-CQSZACIVSA-N 2 1 310.438 2.518 20 0 DFADMP COc1cc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc(OC)c1O ZINC000299289844 533873965 /nfs/dbraw/zinc/87/39/65/533873965.db2.gz IOHINFZGOGYTDC-CQSZACIVSA-N 2 1 322.449 2.764 20 0 DFADMP COc1cc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc(OC)c1O ZINC000299289844 533873966 /nfs/dbraw/zinc/87/39/66/533873966.db2.gz IOHINFZGOGYTDC-CQSZACIVSA-N 2 1 322.449 2.764 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000365154889 519633068 /nfs/dbraw/zinc/63/30/68/519633068.db2.gz IDCNSYRJPPGWSA-SJORKVTESA-N 2 1 302.466 2.643 20 0 DFADMP CC(C)N(C)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000365154889 519633069 /nfs/dbraw/zinc/63/30/69/519633069.db2.gz IDCNSYRJPPGWSA-SJORKVTESA-N 2 1 302.466 2.643 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)NC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000365006411 521276459 /nfs/dbraw/zinc/27/64/59/521276459.db2.gz FJKZHVISKSMAPC-WDYCEAGBSA-N 2 1 317.477 2.531 20 0 DFADMP CCC(CC)(C[NH3+])C(=O)N[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000154365181 521424133 /nfs/dbraw/zinc/42/41/33/521424133.db2.gz CXLJQNALCJANNR-QGZVFWFLSA-N 2 1 317.477 2.532 20 0 DFADMP COC(=O)c1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000154093943 522259900 /nfs/dbraw/zinc/25/99/00/522259900.db2.gz XZXNSSIUUBVGIM-UHFFFAOYSA-N 2 1 316.445 2.781 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@@H]1CCC[NH+](CCC2OCCO2)CC1 ZINC000363839750 523352012 /nfs/dbraw/zinc/35/20/12/523352012.db2.gz ZNEMZVXEAIEJSM-GOSISDBHSA-N 2 1 318.461 2.736 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@H+](CCC2OCCO2)CC1 ZINC000363839750 523352020 /nfs/dbraw/zinc/35/20/20/523352020.db2.gz ZNEMZVXEAIEJSM-GOSISDBHSA-N 2 1 318.461 2.736 20 0 DFADMP C[NH+](Cc1ccccc1)[C@@H]1CCC[N@@H+](CCC2OCCO2)CC1 ZINC000363839750 523352031 /nfs/dbraw/zinc/35/20/31/523352031.db2.gz ZNEMZVXEAIEJSM-GOSISDBHSA-N 2 1 318.461 2.736 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)CCC[NH3+])[C@@H]1c1cccc(Cl)c1 ZINC000364848653 523811315 /nfs/dbraw/zinc/81/13/15/523811315.db2.gz BOKSBQBMNJQLNC-YOEHRIQHSA-N 2 1 323.868 2.578 20 0 DFADMP Cc1ccc(CC2(O)CC[NH+](CC[C@@H]3CCC[N@@H+]3C)CC2)cc1 ZINC000366368586 524280207 /nfs/dbraw/zinc/28/02/07/524280207.db2.gz GBOFSVLIPGLVRZ-IBGZPJMESA-N 2 1 316.489 2.849 20 0 DFADMP C[C@H](C[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C)c1nccs1 ZINC000365046486 524498495 /nfs/dbraw/zinc/49/84/95/524498495.db2.gz VJZSJZJRJPNNOQ-KLHDSHLOSA-N 2 1 323.506 2.726 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@H]1Cc2ccccc2N(C)C1 ZINC000364852652 524916445 /nfs/dbraw/zinc/91/64/45/524916445.db2.gz ICRFNZGTFWRSIX-KONPQCLYSA-N 2 1 301.478 2.613 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000358254791 536481354 /nfs/dbraw/zinc/48/13/54/536481354.db2.gz QEQNSWZMWLHVOY-ULQDDVLXSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CCC[C@H]2c2ccc(Cl)cc2)C1 ZINC000358254791 536481356 /nfs/dbraw/zinc/48/13/56/536481356.db2.gz QEQNSWZMWLHVOY-ULQDDVLXSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000358177271 536481925 /nfs/dbraw/zinc/48/19/25/536481925.db2.gz XPENTMMJYJFQIP-KRWDZBQOSA-N 2 1 302.443 2.571 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+]Cc2cc(-c3ccccc3)cs2)C1 ZINC000358177271 536481927 /nfs/dbraw/zinc/48/19/27/536481927.db2.gz XPENTMMJYJFQIP-KRWDZBQOSA-N 2 1 302.443 2.571 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000294986236 527802845 /nfs/dbraw/zinc/80/28/45/527802845.db2.gz HAUTXYJZAQAFQL-WCQYABFASA-N 2 1 301.356 2.920 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(C(F)(F)F)c2)[C@@H](C)C1 ZINC000294986236 527802850 /nfs/dbraw/zinc/80/28/50/527802850.db2.gz HAUTXYJZAQAFQL-WCQYABFASA-N 2 1 301.356 2.920 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCN2CCc3ccccc32)C1 ZINC000292531803 528184672 /nfs/dbraw/zinc/18/46/72/528184672.db2.gz PDFMLISUJRUUPI-QGZVFWFLSA-N 2 1 301.478 2.713 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000324289400 528336413 /nfs/dbraw/zinc/33/64/13/528336413.db2.gz IWHSZQWBLGRFSU-ZWKOTPCHSA-N 2 1 323.525 2.865 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2cnn(CC(F)F)c2)CC1 ZINC000315183554 528462910 /nfs/dbraw/zinc/46/29/10/528462910.db2.gz ZSGFYMQFIXZRBX-UHFFFAOYSA-N 2 1 300.397 2.502 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NCC[NH+](C)C2CC2)cc1)C(C)C ZINC000299670304 528776043 /nfs/dbraw/zinc/77/60/43/528776043.db2.gz OZJFVJCPDYNLCI-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NCC[N@H+](C)C2CC2)cc1)C(C)C ZINC000299670304 528776049 /nfs/dbraw/zinc/77/60/49/528776049.db2.gz OZJFVJCPDYNLCI-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC[NH+](Cc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cc1)C(C)C ZINC000299670304 528776051 /nfs/dbraw/zinc/77/60/51/528776051.db2.gz OZJFVJCPDYNLCI-UHFFFAOYSA-N 2 1 317.477 2.741 20 0 DFADMP CC(C)[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2ccc(F)cc2)CC1 ZINC000293076776 528991388 /nfs/dbraw/zinc/99/13/88/528991388.db2.gz MFJKUXUVOFOHIU-SFHVURJKSA-N 2 1 308.441 2.534 20 0 DFADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)Nc1cc(C)cc(C[NH3+])c1 ZINC000332650234 529304479 /nfs/dbraw/zinc/30/44/79/529304479.db2.gz NGOFPXYCHLEKDH-DLBZAZTESA-N 2 1 316.449 2.544 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@H]1CCCN1C(=O)CCCCCC[NH3+] ZINC000361717254 534919172 /nfs/dbraw/zinc/91/91/72/534919172.db2.gz CEHXDEIPCFSEPQ-MRXNPFEDSA-N 2 1 320.481 2.907 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)C[C@H]3C)c2C1 ZINC000362716733 535000116 /nfs/dbraw/zinc/00/01/16/535000116.db2.gz NXTWNWZLFHOUHM-HIFRSBDPSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)[C@H]3C[NH+](C)C[C@H]3C)c2C1 ZINC000362716733 535000127 /nfs/dbraw/zinc/00/01/27/535000127.db2.gz NXTWNWZLFHOUHM-HIFRSBDPSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@H+](C)C[C@H]3C)c2C1 ZINC000362716733 535000129 /nfs/dbraw/zinc/00/01/29/535000129.db2.gz NXTWNWZLFHOUHM-HIFRSBDPSA-N 2 1 301.434 2.548 20 0 DFADMP CCC[NH+]1Cc2cccc(NC(=O)[C@H]3C[N@@H+](C)C[C@H]3C)c2C1 ZINC000362716733 535000137 /nfs/dbraw/zinc/00/01/37/535000137.db2.gz NXTWNWZLFHOUHM-HIFRSBDPSA-N 2 1 301.434 2.548 20 0 DFADMP CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000245988528 535007361 /nfs/dbraw/zinc/00/73/61/535007361.db2.gz QJEDKQOOPKVQNP-CVEARBPZSA-N 2 1 303.450 2.975 20 0 DFADMP CC(C)(C)Oc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)cn1 ZINC000245988528 535007362 /nfs/dbraw/zinc/00/73/62/535007362.db2.gz QJEDKQOOPKVQNP-CVEARBPZSA-N 2 1 303.450 2.975 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cn(C)nc2C(F)F)C1 ZINC000360985365 535077752 /nfs/dbraw/zinc/07/77/52/535077752.db2.gz VJYOXXRWFGMGII-ZDUSSCGKSA-N 2 1 314.424 2.815 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361942482 535460024 /nfs/dbraw/zinc/46/00/24/535460024.db2.gz WJSIHXUUCDQNDD-HZPDHXFCSA-N 2 1 320.481 2.728 20 0 DFADMP CCN(CC)C(=O)[C@@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361942482 535460027 /nfs/dbraw/zinc/46/00/27/535460027.db2.gz WJSIHXUUCDQNDD-HZPDHXFCSA-N 2 1 320.481 2.728 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C2CCN(c3ccccc3)CC2)[C@@H](C)C1 ZINC000247110131 535768318 /nfs/dbraw/zinc/76/83/18/535768318.db2.gz QLGZXKRCFKXCJD-LPHOPBHVSA-N 2 1 301.478 2.975 20 0 DFADMP CC[C@@H](O)CCC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000361368637 535811114 /nfs/dbraw/zinc/81/11/14/535811114.db2.gz RRUCTMBYBDSSLQ-LJQANCHMSA-N 2 1 322.468 2.973 20 0 DFADMP CC[C@]1(C)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856994 535908561 /nfs/dbraw/zinc/90/85/61/535908561.db2.gz MWXCHMZIPZRCOL-IEBWSBKVSA-N 2 1 317.477 2.528 20 0 DFADMP CC[C@@]1(C)CC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000354856995 536048926 /nfs/dbraw/zinc/04/89/26/536048926.db2.gz MWXCHMZIPZRCOL-MJGOQNOKSA-N 2 1 317.477 2.528 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC000354134040 536317566 /nfs/dbraw/zinc/31/75/66/536317566.db2.gz NJLMHBMDSWEZNI-YQQAZPJKSA-N 2 1 310.482 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@@H]([NH2+]CC[N@@H+](C)C2CCCCC2)[C@H]1C ZINC000354134040 536317567 /nfs/dbraw/zinc/31/75/67/536317567.db2.gz NJLMHBMDSWEZNI-YQQAZPJKSA-N 2 1 310.482 2.818 20 0 DFADMP C[N@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261785843 536485298 /nfs/dbraw/zinc/48/52/98/536485298.db2.gz FTDFGCUKSWKLCT-GOSISDBHSA-N 2 1 316.424 2.644 20 0 DFADMP C[N@@H+](Cc1cnn(Cc2ccc(F)cc2)c1)[C@@H]1CCC[NH2+]CC1 ZINC000261785843 536485300 /nfs/dbraw/zinc/48/53/00/536485300.db2.gz FTDFGCUKSWKLCT-GOSISDBHSA-N 2 1 316.424 2.644 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)ccc1OC(F)F ZINC000261962978 536753236 /nfs/dbraw/zinc/75/32/36/536753236.db2.gz PBHHXFOXTXYXCJ-WCQYABFASA-N 2 1 314.376 2.856 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCC[NH2+]2)cc1Cl ZINC000262046175 536897525 /nfs/dbraw/zinc/89/75/25/536897525.db2.gz ZDWWCYHEFZPPJU-BMFZPTHFSA-N 2 1 324.852 2.595 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000358262965 537098034 /nfs/dbraw/zinc/09/80/34/537098034.db2.gz FYQASLQRXSLKNB-IKGGRYGDSA-N 2 1 318.461 2.927 20 0 DFADMP Cc1ccc([C@H]([NH2+]C2CC[NH+](CCO)CC2)C2CCC2)cc1 ZINC000681741939 545712442 /nfs/dbraw/zinc/71/24/42/545712442.db2.gz UDOAEZNPTNURJQ-LJQANCHMSA-N 2 1 302.462 2.883 20 0 DFADMP C[N@@H+](C[C@@H]1CCOc2ccccc21)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681915029 545752397 /nfs/dbraw/zinc/75/23/97/545752397.db2.gz VFUFPVGVNYEVNP-HOTGVXAUSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@H+](C[C@@H]1CCOc2ccccc21)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681915029 545752402 /nfs/dbraw/zinc/75/24/02/545752402.db2.gz VFUFPVGVNYEVNP-HOTGVXAUSA-N 2 1 311.429 2.944 20 0 DFADMP C[N@@H+](Cc1nc2cc(F)ccc2o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681928565 545755209 /nfs/dbraw/zinc/75/52/09/545755209.db2.gz ZDWUNORKCSGWFR-LBPRGKRZSA-N 2 1 314.364 2.858 20 0 DFADMP C[N@H+](Cc1nc2cc(F)ccc2o1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000681928565 545755210 /nfs/dbraw/zinc/75/52/10/545755210.db2.gz ZDWUNORKCSGWFR-LBPRGKRZSA-N 2 1 314.364 2.858 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+]([C@@H](C)c2cnc(C)nc2C)C1 ZINC000682069841 545787616 /nfs/dbraw/zinc/78/76/16/545787616.db2.gz AHIITMYDLYJWAS-DOTOQJQBSA-N 2 1 320.481 2.587 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC000682379459 545834526 /nfs/dbraw/zinc/83/45/26/545834526.db2.gz AOWCFVJHLFFTRG-AXOHJZAGSA-N 2 1 304.438 2.783 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[NH+]3C)no1 ZINC000682379459 545834531 /nfs/dbraw/zinc/83/45/31/545834531.db2.gz AOWCFVJHLFFTRG-AXOHJZAGSA-N 2 1 304.438 2.783 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)no1 ZINC000682379459 545834535 /nfs/dbraw/zinc/83/45/35/545834535.db2.gz AOWCFVJHLFFTRG-AXOHJZAGSA-N 2 1 304.438 2.783 20 0 DFADMP C[C@@H]1CC[C@H](C)[NH+]1Cc1nc(C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)no1 ZINC000682379459 545834539 /nfs/dbraw/zinc/83/45/39/545834539.db2.gz AOWCFVJHLFFTRG-AXOHJZAGSA-N 2 1 304.438 2.783 20 0 DFADMP C[C@H]1CCSCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000683001214 545957566 /nfs/dbraw/zinc/95/75/66/545957566.db2.gz PZLKXIWTZQSNBX-HNNXBMFYSA-N 2 1 308.491 2.954 20 0 DFADMP c1cn2c([nH+]1)C[C@H](C[NH2+]Cc1cnc(C3CCC3)s1)CC2 ZINC000683471959 546039413 /nfs/dbraw/zinc/03/94/13/546039413.db2.gz BAHZFRVEIFQTST-GFCCVEGCSA-N 2 1 302.447 2.959 20 0 DFADMP c1csc(-c2n[nH]cc2C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)c1 ZINC000683473357 546039468 /nfs/dbraw/zinc/03/94/68/546039468.db2.gz LMPHQRZTAOLOCQ-GFCCVEGCSA-N 2 1 313.430 2.687 20 0 DFADMP CN1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690290 546075603 /nfs/dbraw/zinc/07/56/03/546075603.db2.gz GHSWXHAGRUUNRO-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@@H+]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683690290 546075605 /nfs/dbraw/zinc/07/56/05/546075605.db2.gz GHSWXHAGRUUNRO-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP C[N@H+]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000683690290 546075608 /nfs/dbraw/zinc/07/56/08/546075608.db2.gz GHSWXHAGRUUNRO-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000683690290 546075610 /nfs/dbraw/zinc/07/56/10/546075610.db2.gz GHSWXHAGRUUNRO-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP C[NH+]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000683690290 546075614 /nfs/dbraw/zinc/07/56/14/546075614.db2.gz GHSWXHAGRUUNRO-WTGUMLROSA-N 2 1 313.489 2.866 20 0 DFADMP OC[C@H](CC1CC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000683691431 546076056 /nfs/dbraw/zinc/07/60/56/546076056.db2.gz GSPIFWKKACJGMV-HAGHYFMRSA-N 2 1 314.473 2.933 20 0 DFADMP COc1ccc2c(c1)C[C@H]([NH2+]C[C@@H]1CCn3cc[nH+]c3C1)CC2 ZINC000683720438 546081497 /nfs/dbraw/zinc/08/14/97/546081497.db2.gz LTSOXUYSWLESFQ-RHSMWYFYSA-N 2 1 311.429 2.601 20 0 DFADMP C[NH+]1CCN([C@@H](C[NH2+]C2CC(C)(C)C2)c2cccs2)CC1 ZINC000683939827 546124609 /nfs/dbraw/zinc/12/46/09/546124609.db2.gz RYIFCTFBOQJXJB-HNNXBMFYSA-N 2 1 307.507 2.815 20 0 DFADMP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C1 ZINC000684366737 546201752 /nfs/dbraw/zinc/20/17/52/546201752.db2.gz ZPPFRXQQKFYUHN-RBUKOAKNSA-N 2 1 318.461 2.566 20 0 DFADMP C[C@@H]1C[N@@H+](CCCNc2cc[nH+]c3c(O)cccc23)CCCO1 ZINC000684590202 546248592 /nfs/dbraw/zinc/24/85/92/546248592.db2.gz GHAFOTDHVGHXHK-CQSZACIVSA-N 2 1 315.417 2.853 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+][C@H]2CCCc3cccnc32)C[C@H](C)O1 ZINC000684955322 546307902 /nfs/dbraw/zinc/30/79/02/546307902.db2.gz LCEOIKFROMBFFK-JZXOWHBKSA-N 2 1 317.477 2.938 20 0 DFADMP COc1ccc(COCC[N@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000685004271 546318621 /nfs/dbraw/zinc/31/86/21/546318621.db2.gz PCHPIZFVJZJRBC-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP COc1ccc(COCC[N@@H+](C)CCC[NH+]2CCCC2)cc1 ZINC000685004271 546318624 /nfs/dbraw/zinc/31/86/24/546318624.db2.gz PCHPIZFVJZJRBC-UHFFFAOYSA-N 2 1 306.450 2.630 20 0 DFADMP C[NH+](C)CCC[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685452315 546352119 /nfs/dbraw/zinc/35/21/19/546352119.db2.gz LKQIJKZFQPYORH-UHFFFAOYSA-N 3 1 319.493 2.545 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685452315 546352122 /nfs/dbraw/zinc/35/21/22/546352122.db2.gz LKQIJKZFQPYORH-UHFFFAOYSA-N 3 1 319.493 2.545 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1ccccc1-n1cncn1 ZINC000685459757 546353234 /nfs/dbraw/zinc/35/32/34/546353234.db2.gz XVSUVFYJBZBYAO-UHFFFAOYSA-N 2 1 313.449 2.575 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)o1 ZINC000685889363 546406159 /nfs/dbraw/zinc/40/61/59/546406159.db2.gz JYVAUOKKEYVAFO-AWEZNQCLSA-N 2 1 309.454 2.580 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@@H+]1C)c1ccc([S@@](C)=O)cc1 ZINC000272876902 210266780 /nfs/dbraw/zinc/26/67/80/210266780.db2.gz BRXWGNXDWLUJKA-WDUKFBBWSA-N 2 1 308.491 2.949 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)c1ccc([S@@](C)=O)cc1 ZINC000272876902 210266784 /nfs/dbraw/zinc/26/67/84/210266784.db2.gz BRXWGNXDWLUJKA-WDUKFBBWSA-N 2 1 308.491 2.949 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]CCC[N@@H+]2CCCO[C@@H](C)C2)c1 ZINC000278463784 214170063 /nfs/dbraw/zinc/17/00/63/214170063.db2.gz JFTIWMCTUJHPCM-JKSUJKDBSA-N 2 1 306.450 2.847 20 0 DFADMP COc1cccc([C@@H](C)[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)c1 ZINC000278463784 214170067 /nfs/dbraw/zinc/17/00/67/214170067.db2.gz JFTIWMCTUJHPCM-JKSUJKDBSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000078956882 185135316 /nfs/dbraw/zinc/13/53/16/185135316.db2.gz MVJUXCPAHFLLTF-YOEHRIQHSA-N 2 1 301.434 2.752 20 0 DFADMP OC[C@@H]1CCC[C@@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000309681908 231101779 /nfs/dbraw/zinc/10/17/79/231101779.db2.gz AAXMMOREPDKQAJ-IEBWSBKVSA-N 2 1 302.462 2.792 20 0 DFADMP OC[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000309681917 231102939 /nfs/dbraw/zinc/10/29/39/231102939.db2.gz AAXMMOREPDKQAJ-MJGOQNOKSA-N 2 1 302.462 2.792 20 0 DFADMP COc1ccc(Br)cc1C[NH2+]CCC[NH2+]C1CC1 ZINC000310689296 231115155 /nfs/dbraw/zinc/11/51/55/231115155.db2.gz QPUOQSMGXAHLER-UHFFFAOYSA-N 2 1 313.239 2.689 20 0 DFADMP C[C@@H]1C[N@H+](CCC[NH2+][C@@H]2CCc3ccccc3C2)CCCO1 ZINC000278737346 214365558 /nfs/dbraw/zinc/36/55/58/214365558.db2.gz WNUXAHCHJPCFEP-VQIMIIECSA-N 2 1 302.462 2.634 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+][C@@H]2CCc3ccccc3C2)CCCO1 ZINC000278737346 214365560 /nfs/dbraw/zinc/36/55/60/214365560.db2.gz WNUXAHCHJPCFEP-VQIMIIECSA-N 2 1 302.462 2.634 20 0 DFADMP C[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1ccc(Cl)nc1 ZINC000278767798 214387569 /nfs/dbraw/zinc/38/75/69/214387569.db2.gz XSAZFGJUJHMXAB-KGLIPLIRSA-N 2 1 311.857 2.887 20 0 DFADMP C[C@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1ccc(Cl)nc1 ZINC000278767798 214387572 /nfs/dbraw/zinc/38/75/72/214387572.db2.gz XSAZFGJUJHMXAB-KGLIPLIRSA-N 2 1 311.857 2.887 20 0 DFADMP Cc1nccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906857 398349992 /nfs/dbraw/zinc/34/99/92/398349992.db2.gz UAIGDBMBNWCKJO-WMLDXEAASA-N 2 1 318.465 2.666 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906857 398349995 /nfs/dbraw/zinc/34/99/95/398349995.db2.gz UAIGDBMBNWCKJO-WMLDXEAASA-N 2 1 318.465 2.666 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H](C)C(=O)NC2CCCCC2)C1 ZINC000591906857 398349999 /nfs/dbraw/zinc/34/99/99/398349999.db2.gz UAIGDBMBNWCKJO-WMLDXEAASA-N 2 1 318.465 2.666 20 0 DFADMP Cc1nccn1[C@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000591906361 398350305 /nfs/dbraw/zinc/35/03/05/398350305.db2.gz LKIWUFPRYOIGLB-WBVHZDCISA-N 2 1 320.481 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000591906361 398350306 /nfs/dbraw/zinc/35/03/06/398350306.db2.gz LKIWUFPRYOIGLB-WBVHZDCISA-N 2 1 320.481 2.721 20 0 DFADMP Cc1[nH+]ccn1[C@H]1CCC[N@H+](CC(=O)N(C)[C@H](C)CC(C)C)C1 ZINC000591906361 398350307 /nfs/dbraw/zinc/35/03/07/398350307.db2.gz LKIWUFPRYOIGLB-WBVHZDCISA-N 2 1 320.481 2.721 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]21 ZINC000228472614 398353697 /nfs/dbraw/zinc/35/36/97/398353697.db2.gz SCWRJXHIKDBGHR-YRGRVCCFSA-N 2 1 308.809 2.628 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]2C[N@@H+](Cc3cc4c(c(Cl)c3)OCO4)C[C@H]21 ZINC000228472614 398353699 /nfs/dbraw/zinc/35/36/99/398353699.db2.gz SCWRJXHIKDBGHR-YRGRVCCFSA-N 2 1 308.809 2.628 20 0 DFADMP C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)C1 ZINC000177462508 282190377 /nfs/dbraw/zinc/19/03/77/282190377.db2.gz YDZVERHYMSJHFF-JFIYKMOQSA-N 2 1 321.509 2.630 20 0 DFADMP COc1ccc(OCC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081631564 398363205 /nfs/dbraw/zinc/36/32/05/398363205.db2.gz GYLJTLZJNFIYPB-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccc(OCC[N@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)cc1 ZINC000081631564 398363208 /nfs/dbraw/zinc/36/32/08/398363208.db2.gz GYLJTLZJNFIYPB-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccc(OCC[NH+]2CC[C@H](C[N@H+](C)CC3CC3)C2)cc1 ZINC000081631564 398363212 /nfs/dbraw/zinc/36/32/12/398363212.db2.gz GYLJTLZJNFIYPB-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP COc1ccc(OCC[NH+]2CC[C@H](C[N@@H+](C)CC3CC3)C2)cc1 ZINC000081631564 398363215 /nfs/dbraw/zinc/36/32/15/398363215.db2.gz GYLJTLZJNFIYPB-QGZVFWFLSA-N 2 1 318.461 2.738 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@H+](CCn3cc(Cl)cn3)C2)[nH+]1 ZINC000459340693 299083155 /nfs/dbraw/zinc/08/31/55/299083155.db2.gz NJRPWRSZWPRULB-CQSZACIVSA-N 2 1 319.840 2.674 20 0 DFADMP Cc1cccc(NC[C@H]2CC[N@@H+](CCn3cc(Cl)cn3)C2)[nH+]1 ZINC000459340693 299083159 /nfs/dbraw/zinc/08/31/59/299083159.db2.gz NJRPWRSZWPRULB-CQSZACIVSA-N 2 1 319.840 2.674 20 0 DFADMP CCc1cc(NC2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)nc(C)[nH+]1 ZINC000302123912 529553860 /nfs/dbraw/zinc/55/38/60/529553860.db2.gz YXXLREKOHWTMEA-IRXDYDNUSA-N 2 1 318.465 2.527 20 0 DFADMP CCc1cc(NCCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000302120229 529554834 /nfs/dbraw/zinc/55/48/34/529554834.db2.gz XRSHFOCRSQMAOY-OKILXGFUSA-N 2 1 306.454 2.649 20 0 DFADMP CCc1cc(NCCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)nc(C)[nH+]1 ZINC000302120229 529554838 /nfs/dbraw/zinc/55/48/38/529554838.db2.gz XRSHFOCRSQMAOY-OKILXGFUSA-N 2 1 306.454 2.649 20 0 DFADMP C[C@@H]1C[N@@H+](CCc2cncn2C)[C@H](C)CN1Cc1ccccc1 ZINC000459374554 299090182 /nfs/dbraw/zinc/09/01/82/299090182.db2.gz OPLWNRUUZJMBPL-IAGOWNOFSA-N 2 1 312.461 2.557 20 0 DFADMP CC(C)(C)Oc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000181342932 199283534 /nfs/dbraw/zinc/28/35/34/199283534.db2.gz QJEDKQOOPKVQNP-JKSUJKDBSA-N 2 1 303.450 2.975 20 0 DFADMP CC(C)(C)Oc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000181342932 199283535 /nfs/dbraw/zinc/28/35/35/199283535.db2.gz QJEDKQOOPKVQNP-JKSUJKDBSA-N 2 1 303.450 2.975 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000329764344 282251694 /nfs/dbraw/zinc/25/16/94/282251694.db2.gz VPOZVZYUTQXCSM-JSGCOSHPSA-N 2 1 313.405 2.711 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](CCSCc1ccccc1)CCO2 ZINC000592185245 398398533 /nfs/dbraw/zinc/39/85/33/398398533.db2.gz WCMZCSDTKNCWRP-UHFFFAOYSA-N 2 1 320.502 2.716 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@@H](CC(=O)OC(C)C)c1ccccc1 ZINC000272792285 210195668 /nfs/dbraw/zinc/19/56/68/210195668.db2.gz CHRILHJGIMZBDC-KRWDZBQOSA-N 2 1 315.417 2.864 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@@H+](C(C)C)C1)O[C@H](C)C2 ZINC000067507196 398438237 /nfs/dbraw/zinc/43/82/37/398438237.db2.gz LZDJQKJLGFUJPT-HUUCEWRRSA-N 2 1 318.461 2.839 20 0 DFADMP COc1cc2c(cc1C[NH2+]C[C@H]1CC[N@H+](C(C)C)C1)O[C@H](C)C2 ZINC000067507196 398438241 /nfs/dbraw/zinc/43/82/41/398438241.db2.gz LZDJQKJLGFUJPT-HUUCEWRRSA-N 2 1 318.461 2.839 20 0 DFADMP COC(=O)c1ccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)s1 ZINC000592492160 398433720 /nfs/dbraw/zinc/43/37/20/398433720.db2.gz SOOLSKXXNNXAAK-UONOGXRCSA-N 2 1 322.474 2.746 20 0 DFADMP COC(=O)c1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000592491671 398433906 /nfs/dbraw/zinc/43/39/06/398433906.db2.gz GLJQQDWOIMKBIT-HOTGVXAUSA-N 2 1 316.445 2.685 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000459435635 299106008 /nfs/dbraw/zinc/10/60/08/299106008.db2.gz WLYIGAVNGACDTC-UHFFFAOYSA-N 3 1 307.526 2.961 20 0 DFADMP C[N@@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)CC1(O)CCCC1 ZINC000309626914 529970915 /nfs/dbraw/zinc/97/09/15/529970915.db2.gz NPWUGQWHSYPYOO-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](C[C@H]1CC[N@H+](Cc2ccccc2)C1)CC1(O)CCCC1 ZINC000309626914 529970917 /nfs/dbraw/zinc/97/09/17/529970917.db2.gz NPWUGQWHSYPYOO-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[NH+](C[C@H]1CC[N@@H+](Cc2ccccc2)C1)CC1(O)CCCC1 ZINC000309626914 529970918 /nfs/dbraw/zinc/97/09/18/529970918.db2.gz NPWUGQWHSYPYOO-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[N@H+]1CCC[C@]2(CC[NH+](C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043508 530065436 /nfs/dbraw/zinc/06/54/36/530065436.db2.gz SOTMEHQCTUPZNR-ROUUACIJSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043508 530065437 /nfs/dbraw/zinc/06/54/37/530065437.db2.gz SOTMEHQCTUPZNR-ROUUACIJSA-N 2 1 322.880 2.661 20 0 DFADMP C[NH+]1CCC[C@]2(CC[N@@H+](C[C@@H](O)Cc3cccc(Cl)c3)C2)C1 ZINC000293043508 530065438 /nfs/dbraw/zinc/06/54/38/530065438.db2.gz SOTMEHQCTUPZNR-ROUUACIJSA-N 2 1 322.880 2.661 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CCN1CC[NH+](Cc2ccccc2)CC1 ZINC000309911021 530052264 /nfs/dbraw/zinc/05/22/64/530052264.db2.gz RZCOZPBKAMFTIJ-LJQANCHMSA-N 2 1 301.478 2.679 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036710 530059379 /nfs/dbraw/zinc/05/93/79/530059379.db2.gz RYFSKVWGZHELSX-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@H+](CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036710 530059380 /nfs/dbraw/zinc/05/93/80/530059380.db2.gz RYFSKVWGZHELSX-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[NH+]1CCC[C@@]2(CC[N@@H+](CCC(=O)Nc3cccc(F)c3)C2)C1 ZINC000293036710 530059381 /nfs/dbraw/zinc/05/93/81/530059381.db2.gz RYFSKVWGZHELSX-GOSISDBHSA-N 2 1 319.424 2.572 20 0 DFADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)C[C@@H]1CCCCO1 ZINC000367884999 282393552 /nfs/dbraw/zinc/39/35/52/282393552.db2.gz JDQQNUHPXPORTR-SFHVURJKSA-N 2 1 303.450 2.799 20 0 DFADMP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000181779802 199350792 /nfs/dbraw/zinc/35/07/92/199350792.db2.gz YPKDLCZDSMPCRP-GDBMZVCRSA-N 2 1 306.450 2.709 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000090708595 398491864 /nfs/dbraw/zinc/49/18/64/398491864.db2.gz RTISBOQCHCKHSX-XYJFISCASA-N 2 1 312.461 2.981 20 0 DFADMP OC[C@]1(C[NH2+]C2CC[NH+](C3CC3)CC2)C[C@H]1c1ccc(F)cc1 ZINC000459517502 299123776 /nfs/dbraw/zinc/12/37/76/299123776.db2.gz WYBBWHLKUYVREW-RBUKOAKNSA-N 2 1 318.436 2.508 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H](C)C1 ZINC000090911876 398496654 /nfs/dbraw/zinc/49/66/54/398496654.db2.gz PGSUGYDUDGUQFE-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccnc(OC3CCC3)c2)[C@H](C)C1 ZINC000090911876 398496657 /nfs/dbraw/zinc/49/66/57/398496657.db2.gz PGSUGYDUDGUQFE-RHSMWYFYSA-N 2 1 303.450 2.833 20 0 DFADMP COc1ccc([C@@H]([NH2+]C2CC[NH+](C)CC2)C2CCOCC2)cc1 ZINC000090970615 398499389 /nfs/dbraw/zinc/49/93/89/398499389.db2.gz BAMXYQFWFXQPHN-LJQANCHMSA-N 2 1 318.461 2.847 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000272698703 210104474 /nfs/dbraw/zinc/10/44/74/210104474.db2.gz XYAIWDVVNNOZCC-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272698703 210104477 /nfs/dbraw/zinc/10/44/77/210104477.db2.gz XYAIWDVVNNOZCC-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+]1CCC[C@@H]1CN[C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272698703 210104481 /nfs/dbraw/zinc/10/44/81/210104481.db2.gz XYAIWDVVNNOZCC-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272698703 210104486 /nfs/dbraw/zinc/10/44/86/210104486.db2.gz XYAIWDVVNNOZCC-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CCN1CCC[C@@H]1C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272698703 210104489 /nfs/dbraw/zinc/10/44/89/210104489.db2.gz XYAIWDVVNNOZCC-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)c1ccco1 ZINC000588939427 398518929 /nfs/dbraw/zinc/51/89/29/398518929.db2.gz QUCFUKAQOBKLNI-HNNXBMFYSA-N 2 1 323.481 2.757 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC(F)F ZINC000068722684 398522046 /nfs/dbraw/zinc/52/20/46/398522046.db2.gz VZAXZKFHDNDWCQ-CYBMUJFWSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C(C)(C)C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272646136 210051506 /nfs/dbraw/zinc/05/15/06/210051506.db2.gz JDVCOJVRWJMXKH-SZMVWBNQSA-N 2 1 304.478 2.894 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444735899 297248045 /nfs/dbraw/zinc/24/80/45/297248045.db2.gz PNBQSVFBJQESEI-KBPBESRZSA-N 2 1 319.371 2.607 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1CCC[C@H]([C@H](O)C(F)(F)F)C1 ZINC000444735899 297248047 /nfs/dbraw/zinc/24/80/47/297248047.db2.gz PNBQSVFBJQESEI-KBPBESRZSA-N 2 1 319.371 2.607 20 0 DFADMP COC(=O)c1cnc([C@@H](C)[NH2+]CCCCn2cc[nH+]c2C)s1 ZINC000414111663 295768665 /nfs/dbraw/zinc/76/86/65/295768665.db2.gz JCDAIZANJVNNPT-LLVKDONJSA-N 2 1 322.434 2.566 20 0 DFADMP COc1cc2c(cc1C[N@H+](C)[C@H]1CCC[NH2+]CC1)O[C@H](C)C2 ZINC000318803091 398539864 /nfs/dbraw/zinc/53/98/64/398539864.db2.gz MWTJVJDGVHNLPP-CJNGLKHVSA-N 2 1 304.434 2.593 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)[C@H]1CCC[NH2+]CC1)O[C@H](C)C2 ZINC000318803091 398539866 /nfs/dbraw/zinc/53/98/66/398539866.db2.gz MWTJVJDGVHNLPP-CJNGLKHVSA-N 2 1 304.434 2.593 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1Cl ZINC000597047380 398554302 /nfs/dbraw/zinc/55/43/02/398554302.db2.gz OBHBAUSAYSTBKU-ZIAGYGMSSA-N 2 1 322.836 2.843 20 0 DFADMP COC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1Cl ZINC000597047380 398554308 /nfs/dbraw/zinc/55/43/08/398554308.db2.gz OBHBAUSAYSTBKU-ZIAGYGMSSA-N 2 1 322.836 2.843 20 0 DFADMP COCCCOc1cccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1 ZINC000069160168 398554168 /nfs/dbraw/zinc/55/41/68/398554168.db2.gz JZIZQCZJXOBQAX-GOSISDBHSA-N 2 1 320.477 2.922 20 0 DFADMP COC[C@@H]1CCCC[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681084716 545593915 /nfs/dbraw/zinc/59/39/15/545593915.db2.gz ZYIMINQXGJOIKV-GOSISDBHSA-N 2 1 320.477 2.876 20 0 DFADMP C[NH+](C)CCOc1ccccc1CNCc1n[nH]c2ccccc12 ZINC000589647443 398569135 /nfs/dbraw/zinc/56/91/35/398569135.db2.gz ZMQIESZFYFYPFW-UHFFFAOYSA-N 2 1 324.428 2.793 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000279892511 215212058 /nfs/dbraw/zinc/21/20/58/215212058.db2.gz KUMGKOMRDIFQRU-CQSZACIVSA-N 2 1 314.408 2.585 20 0 DFADMP Fc1ccc(-n2nccc2C[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1 ZINC000279892511 215212062 /nfs/dbraw/zinc/21/20/62/215212062.db2.gz KUMGKOMRDIFQRU-CQSZACIVSA-N 2 1 314.408 2.585 20 0 DFADMP Cc1ncc(CN2C[C@H](C(=O)OC(C)(C)C)C[C@H](C)C2)n1C ZINC000597154907 398577337 /nfs/dbraw/zinc/57/73/37/398577337.db2.gz SMCBGQDSRGWLAJ-GXTWGEPZSA-N 2 1 307.438 2.528 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@H](C)c1ccc(Br)cn1 ZINC000279926126 215242672 /nfs/dbraw/zinc/24/26/72/215242672.db2.gz ALEROYQRBUCZPQ-SNVBAGLBSA-N 2 1 309.211 2.700 20 0 DFADMP COc1cc2c(cc1C[NH2+]CCCn1cc[nH+]c1C)O[C@H](C)C2 ZINC000069754209 398582711 /nfs/dbraw/zinc/58/27/11/398582711.db2.gz WSTUILCNIXVVKZ-CYBMUJFWSA-N 2 1 315.417 2.703 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC2(CCC2)[C@@H]2COC[C@@H]21 ZINC000459666492 299159495 /nfs/dbraw/zinc/15/94/95/299159495.db2.gz CFYJHEOMFJLTBG-MSOLQXFVSA-N 2 1 324.428 2.577 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000070188447 398593262 /nfs/dbraw/zinc/59/32/62/398593262.db2.gz XUASLTIHZWSEDK-UHFFFAOYSA-N 2 1 309.841 2.648 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H]2CCC[N@H+]2CC(C)C)n1 ZINC000092924439 398607907 /nfs/dbraw/zinc/60/79/07/398607907.db2.gz RYQCRNHYLGSIMP-OAHLLOKOSA-N 2 1 314.437 2.503 20 0 DFADMP Cc1[nH+]ccn1-c1cncc(NC[C@H]2CCC[N@@H+]2CC(C)C)n1 ZINC000092924439 398607911 /nfs/dbraw/zinc/60/79/11/398607911.db2.gz RYQCRNHYLGSIMP-OAHLLOKOSA-N 2 1 314.437 2.503 20 0 DFADMP CCOC(=O)C1(C)CC[NH+](CCCCn2cc[nH+]c2C)CC1 ZINC000092823466 398602076 /nfs/dbraw/zinc/60/20/76/398602076.db2.gz RXULERQQYCGJSK-UHFFFAOYSA-N 2 1 307.438 2.637 20 0 DFADMP C[N@@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CCC(C)(C)O ZINC000092821183 398602397 /nfs/dbraw/zinc/60/23/97/398602397.db2.gz QUAURADDXARCND-UHFFFAOYSA-N 2 1 305.466 2.781 20 0 DFADMP CC[C@H]1CCCCC[N@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000150743612 186062649 /nfs/dbraw/zinc/06/26/49/186062649.db2.gz JIHQOEACRYYCBT-KRWDZBQOSA-N 2 1 309.498 2.630 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[C@H](C[NH+]3CCCC3)C2)c1C ZINC000150788021 186066083 /nfs/dbraw/zinc/06/60/83/186066083.db2.gz GALHEADPFGNETG-MRXNPFEDSA-N 2 1 303.450 2.625 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000155700945 186104533 /nfs/dbraw/zinc/10/45/33/186104533.db2.gz WIUQGLOXSRNGRW-MVJTYMMSSA-N 2 1 317.477 2.529 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770555 398645171 /nfs/dbraw/zinc/64/51/71/398645171.db2.gz ZZQRHOAZZLLDSY-KRWDZBQOSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770555 398645174 /nfs/dbraw/zinc/64/51/74/398645174.db2.gz ZZQRHOAZZLLDSY-KRWDZBQOSA-N 2 1 312.461 2.861 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2cccc(-c3cnn(C)c3)c2)C1 ZINC000093770555 398645179 /nfs/dbraw/zinc/64/51/79/398645179.db2.gz ZZQRHOAZZLLDSY-KRWDZBQOSA-N 2 1 312.461 2.861 20 0 DFADMP C[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000191827680 186260102 /nfs/dbraw/zinc/26/01/02/186260102.db2.gz FBINXOMSGDFFQZ-VQIMIIECSA-N 2 1 302.462 2.708 20 0 DFADMP OCC[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000287193148 219370925 /nfs/dbraw/zinc/37/09/25/219370925.db2.gz VYQXGABPWLOBAR-BBWFWOEESA-N 2 1 308.853 2.980 20 0 DFADMP OCC[C@H]([NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccc(Cl)cc1 ZINC000287193148 219370926 /nfs/dbraw/zinc/37/09/26/219370926.db2.gz VYQXGABPWLOBAR-BBWFWOEESA-N 2 1 308.853 2.980 20 0 DFADMP COc1ccc([C@H](C)N[C@@H]2CC[N@H+]3CCCC[C@H]23)cc1OC ZINC000266835006 186353447 /nfs/dbraw/zinc/35/34/47/186353447.db2.gz FKXCZQIKDJWYEW-NUEKZKHPSA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc([C@H](C)[NH2+][C@@H]2CCN3CCCC[C@H]23)cc1OC ZINC000266835006 186353449 /nfs/dbraw/zinc/35/34/49/186353449.db2.gz FKXCZQIKDJWYEW-NUEKZKHPSA-N 2 1 304.434 2.981 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]CC[C@H]1CCC[N@@H+](C)C1 ZINC000459725043 299173429 /nfs/dbraw/zinc/17/34/29/299173429.db2.gz FNRVPNAOSJOUDT-LSDHHAIUSA-N 2 1 321.440 2.864 20 0 DFADMP CSc1ccc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000171587925 197947423 /nfs/dbraw/zinc/94/74/23/197947423.db2.gz AJLQJXDBDTVQSJ-HNNXBMFYSA-N 2 1 322.518 2.933 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@H](C)C1 ZINC000268739287 186373153 /nfs/dbraw/zinc/37/31/53/186373153.db2.gz CQVKKUVMAMTAAL-APWZRJJASA-N 2 1 312.461 2.751 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccccc2Cn2ccnc2)[C@@H](C)C1 ZINC000268739292 186373406 /nfs/dbraw/zinc/37/34/06/186373406.db2.gz CQVKKUVMAMTAAL-QFBILLFUSA-N 2 1 312.461 2.751 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758659 186381761 /nfs/dbraw/zinc/38/17/61/186381761.db2.gz GBTWHCWLMLXMPD-JFIYKMOQSA-N 2 1 316.493 2.890 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCCC2)nc1 ZINC000268758659 186381763 /nfs/dbraw/zinc/38/17/63/186381763.db2.gz GBTWHCWLMLXMPD-JFIYKMOQSA-N 2 1 316.493 2.890 20 0 DFADMP COC(=O)c1ccc(Cl)c(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]C2)c1 ZINC000414825742 295822479 /nfs/dbraw/zinc/82/24/79/295822479.db2.gz UHVJDIXXSMTMJS-DGCLKSJQSA-N 2 1 310.825 2.604 20 0 DFADMP C[C@@H](Cc1ccccc1)C[NH+]1CCC([N@@H+](C)CCCO)CC1 ZINC000182040476 199377863 /nfs/dbraw/zinc/37/78/63/199377863.db2.gz YBAQUDDQADYUKZ-KRWDZBQOSA-N 2 1 304.478 2.644 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844041 295825155 /nfs/dbraw/zinc/82/51/55/295825155.db2.gz KKBPXWHLPDVWAX-TZMCWYRMSA-N 2 1 309.841 2.707 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1CCC[NH2+]1 ZINC000414844752 295825281 /nfs/dbraw/zinc/82/52/81/295825281.db2.gz LHQZUPHKKRBDSQ-HUUCEWRRSA-N 2 1 303.450 2.869 20 0 DFADMP C[C@H]([NH2+]Cc1nc2cc(Cl)ccc2n1C)[C@H]1CCC[NH2+]C1 ZINC000414844915 295825608 /nfs/dbraw/zinc/82/56/08/295825608.db2.gz DFXMLPSTZFPJAN-RYUDHWBXSA-N 2 1 306.841 2.704 20 0 DFADMP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+][C@@H]1CCc2[nH+]ccn2C1 ZINC000593593718 398659191 /nfs/dbraw/zinc/65/91/91/398659191.db2.gz DYRQYOHJRYWDJO-LSDHHAIUSA-N 2 1 321.465 2.936 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2C[C@@H](OC(C)(C)C)C2(C)C)CC1 ZINC000459741898 299179230 /nfs/dbraw/zinc/17/92/30/299179230.db2.gz BBEZYSNLBGOUKK-HZPDHXFCSA-N 2 1 312.498 2.669 20 0 DFADMP C[C@H](Cn1cccn1)[NH2+]C[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000681089982 545594602 /nfs/dbraw/zinc/59/46/02/545594602.db2.gz JBEBIHZYTYJUKI-IEBWSBKVSA-N 2 1 312.461 2.773 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)C1 ZINC000277187228 213352774 /nfs/dbraw/zinc/35/27/74/213352774.db2.gz IJAZBIQXVYAYES-ZBFHGGJFSA-N 2 1 306.450 2.653 20 0 DFADMP COc1c(Br)cccc1C[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414932552 295836815 /nfs/dbraw/zinc/83/68/15/295836815.db2.gz CTWXFORYEBWVER-ZWNOBZJWSA-N 2 1 313.239 2.545 20 0 DFADMP COc1c(Br)cccc1C[NH2+]C1(C)CC[NH2+]CC1 ZINC000414944480 295838515 /nfs/dbraw/zinc/83/85/15/295838515.db2.gz PWTPRIHNTJNBMG-UHFFFAOYSA-N 2 1 313.239 2.689 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2OCc2cccnc2)CC[NH2+]1 ZINC000414947327 295838773 /nfs/dbraw/zinc/83/87/73/295838773.db2.gz KQJTYOFFBWGGFA-YJBOKZPZSA-N 2 1 311.429 2.891 20 0 DFADMP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+][C@H]1CC[NH2+][C@@H](C)C1 ZINC000414959179 295840802 /nfs/dbraw/zinc/84/08/02/295840802.db2.gz XBJNEMSKPHXKBQ-LRDDRELGSA-N 2 1 316.424 2.858 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(Br)c(F)c2)CC[NH2+]1 ZINC000414954595 295840249 /nfs/dbraw/zinc/84/02/49/295840249.db2.gz STVCRJDZYVPWPL-GXSJLCMTSA-N 2 1 301.203 2.818 20 0 DFADMP COc1cc2c(NC[C@@H](C)[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000280122081 215391670 /nfs/dbraw/zinc/39/16/70/215391670.db2.gz WVEHXVQOSHCOQY-GFCCVEGCSA-N 2 1 319.380 2.515 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+](CC(=O)NC2CCCCCC2)CC1 ZINC000590787009 398675369 /nfs/dbraw/zinc/67/53/69/398675369.db2.gz QNPKRRZFNGKOHF-UHFFFAOYSA-N 2 1 323.525 2.878 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1F ZINC000391529731 398675992 /nfs/dbraw/zinc/67/59/92/398675992.db2.gz XGMHHDOSLAIUKN-CQSZACIVSA-N 2 1 322.424 2.966 20 0 DFADMP COC(=O)c1ccc(C[NH2+]CCC[N@H+]2CCCC[C@H]2C)cc1F ZINC000391529731 398675994 /nfs/dbraw/zinc/67/59/94/398675994.db2.gz XGMHHDOSLAIUKN-CQSZACIVSA-N 2 1 322.424 2.966 20 0 DFADMP Fc1ccccc1-c1n[nH]cc1C[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000414995878 295845389 /nfs/dbraw/zinc/84/53/89/295845389.db2.gz FWYWZVKZFBLWJM-LBPRGKRZSA-N 2 1 324.350 2.550 20 0 DFADMP FC1(F)C[NH2+]CC[C@H]1C[NH2+][C@H]1Cc2ccc(Cl)cc2C1 ZINC000414995591 295844952 /nfs/dbraw/zinc/84/49/52/295844952.db2.gz FTRKJMARXWPXKY-JSGCOSHPSA-N 2 1 300.780 2.642 20 0 DFADMP Fc1ccc(-c2n[nH]cc2C[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)cc1 ZINC000415005618 295846555 /nfs/dbraw/zinc/84/65/55/295846555.db2.gz PJGAHJNQHMAJPS-ZDUSSCGKSA-N 2 1 324.350 2.550 20 0 DFADMP FC(F)(F)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[NH2+]CC2(F)F)C1 ZINC000415007553 295846609 /nfs/dbraw/zinc/84/66/09/295846609.db2.gz UZBDWCZCKSRKLC-VWYCJHECSA-N 2 1 300.315 2.942 20 0 DFADMP O=C1CCCN1CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000590819461 398680983 /nfs/dbraw/zinc/68/09/83/398680983.db2.gz JSIGAZVTMYGSGP-SFHVURJKSA-N 2 1 321.509 2.587 20 0 DFADMP Cn1cc(-c2ccc(C[NH2+]CC[C@H]3CCC[N@@H+](C)C3)s2)cn1 ZINC000459785516 299192639 /nfs/dbraw/zinc/19/26/39/299192639.db2.gz OTBWIUQRPRLLFJ-CQSZACIVSA-N 2 1 318.490 2.970 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)cc1OC ZINC000173362962 198207000 /nfs/dbraw/zinc/20/70/00/198207000.db2.gz WPJMMBJIZJLZQT-ZBFHGGJFSA-N 2 1 306.450 2.914 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+](CC)C[C@H]2C)cc1OC ZINC000173362962 198207002 /nfs/dbraw/zinc/20/70/02/198207002.db2.gz WPJMMBJIZJLZQT-ZBFHGGJFSA-N 2 1 306.450 2.914 20 0 DFADMP CCc1ccccc1[C@H]([NH3+])CNCc1ncc(C[NH+](C)C)s1 ZINC000415061775 295853197 /nfs/dbraw/zinc/85/31/97/295853197.db2.gz DIHSDZTZVPCIMC-MRXNPFEDSA-N 2 1 318.490 2.557 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)cc1C(F)(F)F ZINC000401744279 398687840 /nfs/dbraw/zinc/68/78/40/398687840.db2.gz UCDUWKHCPDJMCV-UHFFFAOYSA-N 2 1 301.287 2.910 20 0 DFADMP Cn1c[nH+]cc1CC[NH2+]Cc1ccc(F)c(Br)c1 ZINC000401755458 398688356 /nfs/dbraw/zinc/68/83/56/398688356.db2.gz DMPDAUXAPUWXOU-UHFFFAOYSA-N 2 1 312.186 2.654 20 0 DFADMP COCCOc1cc(C)ccc1C[NH2+][C@H](C)C[C@@H]1CCC[NH2+]1 ZINC000415082019 295855503 /nfs/dbraw/zinc/85/55/03/295855503.db2.gz LEGHOTIRXNNSPP-WBVHZDCISA-N 2 1 306.450 2.640 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+][C@H]3CCN(c4ccccn4)C3)CC[NH2+]2)cc1 ZINC000415086413 295856225 /nfs/dbraw/zinc/85/62/25/295856225.db2.gz ROGMHGBVBATMSV-FHWLQOOXSA-N 2 1 322.456 2.743 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]CCCOC[C@@H]3CCCO3)CC[NH2+]2)cc1 ZINC000415088337 295856588 /nfs/dbraw/zinc/85/65/88/295856588.db2.gz LVDPPUQPVFQDEP-FHWLQOOXSA-N 2 1 318.461 2.655 20 0 DFADMP COC[C@@H](C)Nc1ccc([NH+]2CCC(C[NH+](C)C)CC2)cc1 ZINC000174116970 198294211 /nfs/dbraw/zinc/29/42/11/198294211.db2.gz UMDZKTFKPBHQIX-OAHLLOKOSA-N 2 1 305.466 2.911 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000174213271 198306813 /nfs/dbraw/zinc/30/68/13/198306813.db2.gz KNCHXUSNSYZYAS-HNNXBMFYSA-N 2 1 313.445 2.692 20 0 DFADMP CC[NH+](CC)C[C@@H]1CC[N@@H+](Cc2cc3ccccc3[nH]c2=O)C1 ZINC000174213271 198306814 /nfs/dbraw/zinc/30/68/14/198306814.db2.gz KNCHXUSNSYZYAS-HNNXBMFYSA-N 2 1 313.445 2.692 20 0 DFADMP COCCCOc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000174517512 198346236 /nfs/dbraw/zinc/34/62/36/198346236.db2.gz PDQRMTIQJIKFNS-WBVHZDCISA-N 2 1 306.450 2.674 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H](C)C1 ZINC000174629741 198361916 /nfs/dbraw/zinc/36/19/16/198361916.db2.gz SDANLHFNTVHCFZ-DOMZBBRYSA-N 2 1 324.852 2.931 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H](C)C1 ZINC000174629741 198361918 /nfs/dbraw/zinc/36/19/18/198361918.db2.gz SDANLHFNTVHCFZ-DOMZBBRYSA-N 2 1 324.852 2.931 20 0 DFADMP CC(C)[C@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000236795796 202013952 /nfs/dbraw/zinc/01/39/52/202013952.db2.gz IDFVLCRHLZIRFE-YOEHRIQHSA-N 2 1 303.450 2.840 20 0 DFADMP CCC[C@@H]([NH3+])C(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000236799076 202015314 /nfs/dbraw/zinc/01/53/14/202015314.db2.gz WCZYGMDGVACBEH-RHSMWYFYSA-N 2 1 303.450 2.984 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC000591097019 398726675 /nfs/dbraw/zinc/72/66/75/398726675.db2.gz LUOQRRZGNQVRKZ-RDJZCZTQSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC000591097019 398726680 /nfs/dbraw/zinc/72/66/80/398726680.db2.gz LUOQRRZGNQVRKZ-RDJZCZTQSA-N 2 1 315.461 2.951 20 0 DFADMP C[C@H]1CCCC[NH+]1Cc1ccc(NC(=O)[C@H]2CC[N@@H+](C)C2)cc1 ZINC000591097019 398726684 /nfs/dbraw/zinc/72/66/84/398726684.db2.gz LUOQRRZGNQVRKZ-RDJZCZTQSA-N 2 1 315.461 2.951 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000130564851 283052651 /nfs/dbraw/zinc/05/26/51/283052651.db2.gz BYNKVXXXVVOCRH-HNNXBMFYSA-N 2 1 314.433 2.849 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)Nc1cccc(C)c1 ZINC000130564851 283052655 /nfs/dbraw/zinc/05/26/55/283052655.db2.gz BYNKVXXXVVOCRH-HNNXBMFYSA-N 2 1 314.433 2.849 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000130564206 283052911 /nfs/dbraw/zinc/05/29/11/283052911.db2.gz JBMCAVWAPPRPIA-XHSDSOJGSA-N 2 1 320.481 2.691 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H](C)C(=O)N1[C@H](C)CCC[C@@H]1C ZINC000130564206 283052912 /nfs/dbraw/zinc/05/29/12/283052912.db2.gz JBMCAVWAPPRPIA-XHSDSOJGSA-N 2 1 320.481 2.691 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[N@@H+](CC)C1CC1)c1ccccc1 ZINC000130699861 283058053 /nfs/dbraw/zinc/05/80/53/283058053.db2.gz CMBYDJREODXVSR-SFHVURJKSA-N 2 1 317.477 2.670 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@H+](C)CCCn1cc[nH+]c1C ZINC000130742861 283059176 /nfs/dbraw/zinc/05/91/76/283059176.db2.gz XIQQLRSCOXTOTP-DOTOQJQBSA-N 2 1 320.481 2.693 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@H](C)[N@@H+](C)CCCn1cc[nH+]c1C ZINC000130742861 283059178 /nfs/dbraw/zinc/05/91/78/283059178.db2.gz XIQQLRSCOXTOTP-DOTOQJQBSA-N 2 1 320.481 2.693 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000130934089 283066388 /nfs/dbraw/zinc/06/63/88/283066388.db2.gz ZDVRTORCUVORGP-UHFFFAOYSA-N 2 1 320.481 2.693 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)N(C(C)C)C1CCCC1 ZINC000130934089 283066392 /nfs/dbraw/zinc/06/63/92/283066392.db2.gz ZDVRTORCUVORGP-UHFFFAOYSA-N 2 1 320.481 2.693 20 0 DFADMP Cc1cccc2c(N[C@@H](C)[C@@H](C)[NH+]3CCOCC3)c(C)c[nH+]c12 ZINC000462484132 299226213 /nfs/dbraw/zinc/22/62/13/299226213.db2.gz ISRDZCKFXZETHO-JKSUJKDBSA-N 2 1 313.445 2.795 20 0 DFADMP C[NH+](C)C[C@@](C)(O)C[NH2+]Cc1ccc(-c2ccccc2F)s1 ZINC000131481982 283087502 /nfs/dbraw/zinc/08/75/02/283087502.db2.gz AAEULRAGVVUTPP-KRWDZBQOSA-N 2 1 322.449 2.956 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000074249557 191352585 /nfs/dbraw/zinc/35/25/85/191352585.db2.gz WTRCVPXHTCFGTH-INIZCTEOSA-N 2 1 320.481 2.633 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)NC[C@@H]1CCC[N@H+](C(C)C)C1 ZINC000074249557 191352589 /nfs/dbraw/zinc/35/25/89/191352589.db2.gz WTRCVPXHTCFGTH-INIZCTEOSA-N 2 1 320.481 2.633 20 0 DFADMP Cn1nccc1C[NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1 ZINC000080204925 192011990 /nfs/dbraw/zinc/01/19/90/192011990.db2.gz NCDKYRWSXXRJLH-UHFFFAOYSA-N 2 1 324.428 2.935 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cc(C(N)=O)cs2)CC1 ZINC000134172244 283175413 /nfs/dbraw/zinc/17/54/13/283175413.db2.gz UVHQGSYWAZFTRT-UHFFFAOYSA-N 2 1 323.506 2.791 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)cc1OC ZINC000121217645 398786305 /nfs/dbraw/zinc/78/63/05/398786305.db2.gz GTADJVKUVYJHGS-GDBMZVCRSA-N 2 1 306.450 2.566 20 0 DFADMP CC[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CCCCCC[NH3+])C1 ZINC000237037286 202131069 /nfs/dbraw/zinc/13/10/69/202131069.db2.gz MAWXEYNJAIHHNT-INIZCTEOSA-N 2 1 311.514 2.912 20 0 DFADMP C[NH2+]C[C@H](C)C(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000237086949 202148157 /nfs/dbraw/zinc/14/81/57/202148157.db2.gz FPURSQHWYVDJOK-AWEZNQCLSA-N 2 1 314.433 2.849 20 0 DFADMP C[NH+]1CCC([NH2+]Cc2ccc(OCc3ccncc3)cc2)CC1 ZINC000237168538 202173010 /nfs/dbraw/zinc/17/30/10/202173010.db2.gz CFLMKJIXCMXWIN-UHFFFAOYSA-N 2 1 311.429 2.844 20 0 DFADMP CC[C@]1(C)C[N@@H+](CCCC[NH+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676509 283227201 /nfs/dbraw/zinc/22/72/01/283227201.db2.gz YEWHCLXMDKZZGD-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@]1(C)C[NH+](CCCC[N@@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676509 283227205 /nfs/dbraw/zinc/22/72/05/283227205.db2.gz YEWHCLXMDKZZGD-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@]1(C)C[NH+](CCCC[N@H+]2CCO[C@@](C)(CC)C2)CCO1 ZINC000135676509 283227208 /nfs/dbraw/zinc/22/72/08/283227208.db2.gz YEWHCLXMDKZZGD-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CC[C@H]1C[N@@H+]2CCC[C@@H]2CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000136073859 283234803 /nfs/dbraw/zinc/23/48/03/283234803.db2.gz KQBGQFSMUWYBAP-JKSUJKDBSA-N 2 1 303.450 2.766 20 0 DFADMP CC[C@H]1C[N@H+]2CCC[C@@H]2CN1Cc1[nH+]cc(C)c(OC)c1C ZINC000136073859 283234805 /nfs/dbraw/zinc/23/48/05/283234805.db2.gz KQBGQFSMUWYBAP-JKSUJKDBSA-N 2 1 303.450 2.766 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@H](C)[NH2+]CCSCCCO)cc1 ZINC000151214060 283278671 /nfs/dbraw/zinc/27/86/71/283278671.db2.gz CATABAKKZGIFGG-AWEZNQCLSA-N 2 1 319.474 2.947 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC[N@@H+]1C ZINC000179503024 199046502 /nfs/dbraw/zinc/04/65/02/199046502.db2.gz NPNNYWPDCNWMOL-WBIUFABUSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC[N@H+]1C ZINC000179503024 199046504 /nfs/dbraw/zinc/04/65/04/199046504.db2.gz NPNNYWPDCNWMOL-WBIUFABUSA-N 2 1 300.805 2.585 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H](C)c2ccc([S@](C)=O)cc2)CC1 ZINC000180406338 199155694 /nfs/dbraw/zinc/15/56/94/199155694.db2.gz ZMDABNAEOYVIJL-SZNDQCEHSA-N 2 1 308.491 2.947 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCN1CC[NH+]1CCCCC1 ZINC000077176995 398885501 /nfs/dbraw/zinc/88/55/01/398885501.db2.gz BVXUMUNZMVJCEJ-SFHVURJKSA-N 2 1 301.478 2.679 20 0 DFADMP Fc1ccccc1C[N@H+]1CCCN(CC[NH+]2CCCCC2)CC1 ZINC000077173486 398885541 /nfs/dbraw/zinc/88/55/41/398885541.db2.gz VRGJQUZFGTTWJO-UHFFFAOYSA-N 2 1 319.468 2.819 20 0 DFADMP Clc1cnccc1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000173954715 283391902 /nfs/dbraw/zinc/39/19/02/283391902.db2.gz PPBIPAZWRDZZRZ-UHFFFAOYSA-N 2 1 323.868 2.812 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@@H+]1CCCC[C@H]1C ZINC000447092127 297295088 /nfs/dbraw/zinc/29/50/88/297295088.db2.gz YCCDKLTUXUYZKB-KGLIPLIRSA-N 2 1 323.506 2.802 20 0 DFADMP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+]1CCCC[C@H]1C ZINC000447092127 297295092 /nfs/dbraw/zinc/29/50/92/297295092.db2.gz YCCDKLTUXUYZKB-KGLIPLIRSA-N 2 1 323.506 2.802 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000237425642 202262434 /nfs/dbraw/zinc/26/24/34/202262434.db2.gz KRSWWNCHSFTEKR-HNNXBMFYSA-N 2 1 309.417 2.803 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CC[NH+](C3CC3)CC2)c1C ZINC000598956611 398897239 /nfs/dbraw/zinc/89/72/39/398897239.db2.gz YSFNMVXVPQMNOW-UHFFFAOYSA-N 2 1 319.449 2.525 20 0 DFADMP CCOC(=O)c1[nH]c(C)c(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)c1C ZINC000598959998 398897979 /nfs/dbraw/zinc/89/79/79/398897979.db2.gz PGTLEZVHTNNTEW-OAHLLOKOSA-N 2 1 321.465 2.628 20 0 DFADMP O[C@@H]1CCCC[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000186788439 200011451 /nfs/dbraw/zinc/01/14/51/200011451.db2.gz LFQQNXCCWACPSN-RTBURBONSA-N 2 1 320.452 2.726 20 0 DFADMP C[S@](=O)[C@@H]1CCC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000595068098 398902212 /nfs/dbraw/zinc/90/22/12/398902212.db2.gz ISQZZMICPGCBOY-MDOVXXIYSA-N 2 1 300.512 2.529 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186761318 200005668 /nfs/dbraw/zinc/00/56/68/200005668.db2.gz RZOOBJMRWACIEQ-OAHLLOKOSA-N 2 1 304.434 2.715 20 0 DFADMP C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc3c(c2)COC(C)(C)O3)C1 ZINC000186761318 200005669 /nfs/dbraw/zinc/00/56/69/200005669.db2.gz RZOOBJMRWACIEQ-OAHLLOKOSA-N 2 1 304.434 2.715 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](CCCCc2ccccc2)CC1 ZINC000187045115 200052250 /nfs/dbraw/zinc/05/22/50/200052250.db2.gz QPMNUZRTNHHNHN-UHFFFAOYSA-N 2 1 304.478 2.788 20 0 DFADMP COC(=O)CC1CCC([NH2+]C[C@H](C)Cn2cc[nH+]c2C)CC1 ZINC000599028656 398909727 /nfs/dbraw/zinc/90/97/27/398909727.db2.gz ZDTGUBLLEVBBOA-JEYLPNPQSA-N 2 1 307.438 2.539 20 0 DFADMP C[C@H](Cc1ccccc1F)[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000187962423 200183674 /nfs/dbraw/zinc/18/36/74/200183674.db2.gz QGDAYKZQBSLUTA-MRXNPFEDSA-N 2 1 321.484 2.620 20 0 DFADMP CO[C@@H](C)C[NH2+][C@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000188109802 200194875 /nfs/dbraw/zinc/19/48/75/200194875.db2.gz NMUYFVYVFBWATI-WNHJNPCNSA-N 2 1 302.462 2.912 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1cnn(-c2ccccc2)c1 ZINC000237593053 202297535 /nfs/dbraw/zinc/29/75/35/202297535.db2.gz KRSWWNCHSFTEKR-OAHLLOKOSA-N 2 1 309.417 2.803 20 0 DFADMP C[C@H]1C[C@H](NC(=O)CCCCCC[NH3+])C[N@H+]1Cc1ccccc1 ZINC000237637845 202314530 /nfs/dbraw/zinc/31/45/30/202314530.db2.gz UXZZMEKYUTWUKY-WMZOPIPTSA-N 2 1 317.477 2.675 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1CC[C@@H](O)C1 ZINC000188833078 200309969 /nfs/dbraw/zinc/30/99/69/200309969.db2.gz WIUPKZBGEFBZNJ-QZTJIDSGSA-N 2 1 304.478 2.895 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH2+]C1 ZINC000471848531 299310144 /nfs/dbraw/zinc/31/01/44/299310144.db2.gz QPKWFXSZSIQJHE-UFYCRDLUSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH2+]C1 ZINC000471848531 299310146 /nfs/dbraw/zinc/31/01/46/299310146.db2.gz QPKWFXSZSIQJHE-UFYCRDLUSA-N 3 1 315.505 2.658 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+]1CCC[C@@]2(CC[NH+](C)C2)C1 ZINC000595504658 398952095 /nfs/dbraw/zinc/95/20/95/398952095.db2.gz LNXDGQQWOQHQQS-SFHVURJKSA-N 2 1 310.482 2.774 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000595504658 398952098 /nfs/dbraw/zinc/95/20/98/398952098.db2.gz LNXDGQQWOQHQQS-SFHVURJKSA-N 2 1 310.482 2.774 20 0 DFADMP CCOC(=O)CC(C)(C)CC[NH+]1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000595504658 398952101 /nfs/dbraw/zinc/95/21/01/398952101.db2.gz LNXDGQQWOQHQQS-SFHVURJKSA-N 2 1 310.482 2.774 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](Cc3cc(C)ncn3)C1)CCCC2 ZINC000292677559 223197642 /nfs/dbraw/zinc/19/76/42/223197642.db2.gz CRGVAJHUYYALIY-MRXNPFEDSA-N 2 1 311.433 2.616 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](Cc3cc(C)ncn3)C1)CCCC2 ZINC000292677559 223197644 /nfs/dbraw/zinc/19/76/44/223197644.db2.gz CRGVAJHUYYALIY-MRXNPFEDSA-N 2 1 311.433 2.616 20 0 DFADMP COC(=O)CCCC[NH+]1CCC(c2[nH+]cc3n2CCCC3)CC1 ZINC000599393915 398972487 /nfs/dbraw/zinc/97/24/87/398972487.db2.gz WCXCKEJYOLBVBZ-UHFFFAOYSA-N 2 1 319.449 2.742 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@@H+](CC[C@@H](C)c3ccccc3)C2)CC1 ZINC000193886966 201139194 /nfs/dbraw/zinc/13/91/94/201139194.db2.gz RAGVKBWUAYLAAI-UYAOXDASSA-N 2 1 315.505 2.892 20 0 DFADMP C[C@@H](C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1)c1ccccc1 ZINC000604885263 398979599 /nfs/dbraw/zinc/97/95/99/398979599.db2.gz UPGNNULJAPXHAW-PKOBYXMFSA-N 2 1 301.478 2.502 20 0 DFADMP CO[C@H](C[NH2+]C1CC[NH+](CCc2ccccc2)CC1)C1CC1 ZINC000292873863 223285973 /nfs/dbraw/zinc/28/59/73/223285973.db2.gz BPSMSIJWLRYQET-LJQANCHMSA-N 2 1 302.462 2.708 20 0 DFADMP c1ccc(CC[N@H+]2CC[C@@H](C[NH2+]C[C@@H]3CCC=CO3)C2)cc1 ZINC000194374339 201211327 /nfs/dbraw/zinc/21/13/27/201211327.db2.gz XJXYSKAVSGEFJY-OALUTQOASA-N 2 1 300.446 2.833 20 0 DFADMP C[C@H]([NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(CO)c1 ZINC000271838398 209258384 /nfs/dbraw/zinc/25/83/84/209258384.db2.gz BFUAEZSEBBSPTK-BBWFWOEESA-N 2 1 320.477 2.719 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000621642035 399006483 /nfs/dbraw/zinc/00/64/83/399006483.db2.gz CDMFOQBAIYSXEK-DLBZAZTESA-N 2 1 309.498 2.537 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417839359 296056736 /nfs/dbraw/zinc/05/67/36/296056736.db2.gz LLQDMHGUENXNRX-INIZCTEOSA-N 2 1 317.477 2.743 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417839359 296056738 /nfs/dbraw/zinc/05/67/38/296056738.db2.gz LLQDMHGUENXNRX-INIZCTEOSA-N 2 1 317.477 2.743 20 0 DFADMP FC(F)COc1ccc(C[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1 ZINC000275527384 212394407 /nfs/dbraw/zinc/39/44/07/212394407.db2.gz LPSTXCHHPGGIKC-AWEZNQCLSA-N 2 1 321.371 2.879 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2CCc3[nH+]ccn3C2)CN1Cc1ccccc1 ZINC000275416293 212318698 /nfs/dbraw/zinc/31/86/98/212318698.db2.gz DJNJJYNMUVPROO-NZSAHSFTSA-N 2 1 324.472 2.698 20 0 DFADMP Cc1cc(C[N@@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)n(C)n1 ZINC000418003625 296070608 /nfs/dbraw/zinc/07/06/08/296070608.db2.gz YXAYMEMMPMNTQE-HNNXBMFYSA-N 2 1 313.449 2.559 20 0 DFADMP Cc1cc(C[N@H+]2CC[C@H](n3c(C)[nH+]c4c3CCCC4)C2)n(C)n1 ZINC000418003625 296070609 /nfs/dbraw/zinc/07/06/09/296070609.db2.gz YXAYMEMMPMNTQE-HNNXBMFYSA-N 2 1 313.449 2.559 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cnc(-c3ccccc3)[nH]1)C2 ZINC000275390951 212305835 /nfs/dbraw/zinc/30/58/35/212305835.db2.gz BYLMTUIMZVVKMP-AWEZNQCLSA-N 2 1 307.401 2.625 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H]2C[C@H]2c2ccccc2)CCCO1 ZINC000418031083 296073251 /nfs/dbraw/zinc/07/32/51/296073251.db2.gz LGQDKPXZUDRSST-NEWSRXKRSA-N 2 1 302.462 2.881 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418204102 296081727 /nfs/dbraw/zinc/08/17/27/296081727.db2.gz PJCHXJKMLMIVEW-CABCVRRESA-N 2 1 320.481 2.626 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418204108 296081765 /nfs/dbraw/zinc/08/17/65/296081765.db2.gz PJCHXJKMLMIVEW-LSDHHAIUSA-N 2 1 320.481 2.626 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418204106 296081809 /nfs/dbraw/zinc/08/18/09/296081809.db2.gz PJCHXJKMLMIVEW-HUUCEWRRSA-N 2 1 320.481 2.626 20 0 DFADMP C[C@H]1C[N@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000252894019 146224088 /nfs/dbraw/zinc/22/40/88/146224088.db2.gz SPHSRWHSGYYYHG-JOYOIKCWSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(Br)cs1 ZINC000252894019 146224089 /nfs/dbraw/zinc/22/40/89/146224089.db2.gz SPHSRWHSGYYYHG-JOYOIKCWSA-N 2 1 303.269 2.940 20 0 DFADMP C[C@@H](c1ccncc1)[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000606432097 399068618 /nfs/dbraw/zinc/06/86/18/399068618.db2.gz PTSOZCVMMAOVGF-KSZLIROESA-N 2 1 316.493 2.633 20 0 DFADMP C[C@@H](c1ccncc1)[NH+]1CCN(CC[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000606432097 399068624 /nfs/dbraw/zinc/06/86/24/399068624.db2.gz PTSOZCVMMAOVGF-KSZLIROESA-N 2 1 316.493 2.633 20 0 DFADMP CCCCCOc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000479957357 299384785 /nfs/dbraw/zinc/38/47/85/299384785.db2.gz MNYFOKLIAHVMIA-CALCHBBNSA-N 2 1 318.461 2.915 20 0 DFADMP CCCCCOc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000479957357 299384787 /nfs/dbraw/zinc/38/47/87/299384787.db2.gz MNYFOKLIAHVMIA-CALCHBBNSA-N 2 1 318.461 2.915 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)cc1 ZINC000275188058 212183302 /nfs/dbraw/zinc/18/33/02/212183302.db2.gz YRBZZTLVZHVISI-MAUKXSAKSA-N 2 1 317.477 2.646 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]C[C@H](c1ccccc1)C(C)(C)CO ZINC000305770068 284051768 /nfs/dbraw/zinc/05/17/68/284051768.db2.gz NGYHKMHYYKQSLX-KBAYOESNSA-N 2 1 304.478 2.719 20 0 DFADMP C[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)[C@H](C)c1ccccc1 ZINC000128277406 296123169 /nfs/dbraw/zinc/12/31/69/296123169.db2.gz LDOWLQIASHMEMA-ZWKOTPCHSA-N 2 1 303.494 2.796 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+]Cc2ccc(C)cc2-c2ccnn2C)C1 ZINC000338433235 284112934 /nfs/dbraw/zinc/11/29/34/284112934.db2.gz WAVZUPZLAKUPDT-MRXNPFEDSA-N 2 1 312.461 2.827 20 0 DFADMP Cc1ccc(OC[C@@H](O)C[N@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173960741 399103792 /nfs/dbraw/zinc/10/37/92/399103792.db2.gz MTCXOVKWVWIHHE-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@@H](O)C[N@@H+](C)CC[C@@H]2CCCC[NH+]2C)cc1 ZINC000173960741 399103797 /nfs/dbraw/zinc/10/37/97/399103797.db2.gz MTCXOVKWVWIHHE-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000173960741 399103805 /nfs/dbraw/zinc/10/38/05/399103805.db2.gz MTCXOVKWVWIHHE-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP Cc1ccc(OC[C@@H](O)C[NH+](C)CC[C@@H]2CCCC[N@H+]2C)cc1 ZINC000173960741 399103812 /nfs/dbraw/zinc/10/38/12/399103812.db2.gz MTCXOVKWVWIHHE-ROUUACIJSA-N 2 1 320.477 2.541 20 0 DFADMP C[C@H](C(=O)NCCC[N@H+]1CCCC[C@H]1C)[C@H]([NH3+])c1ccccc1 ZINC000261786658 203116129 /nfs/dbraw/zinc/11/61/29/203116129.db2.gz SOILJWYCTHNAEN-RYRKJORJSA-N 2 1 317.477 2.703 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1[NH2+]CCc1ccccc1Br ZINC000481722827 299399150 /nfs/dbraw/zinc/39/91/50/299399150.db2.gz ZAZQSZFTKYLTMP-SWLSCSKDSA-N 2 1 311.267 2.921 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[N@@H+](C)CC2CC[NH+](C)CC2)o1 ZINC000093088723 193202306 /nfs/dbraw/zinc/20/23/06/193202306.db2.gz QQIFDXAJLAWHHN-UHFFFAOYSA-N 2 1 302.422 2.752 20 0 DFADMP CCC[C@H]([NH3+])C(=O)NCc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000262138081 203209029 /nfs/dbraw/zinc/20/90/29/203209029.db2.gz LNUAXVSODHIPPU-QAPCUYQASA-N 2 1 317.477 2.805 20 0 DFADMP C[NH2+]CCC(=O)Nc1cccc(Cn2cc[nH+]c2C(C)C)c1 ZINC000262435756 203293711 /nfs/dbraw/zinc/29/37/11/203293711.db2.gz UJRAWMBIHPUBDA-UHFFFAOYSA-N 2 1 300.406 2.603 20 0 DFADMP C[N@H+]1CC[C@@H](NCC[NH+]2CCCCC2)C[C@@H]1c1ccccc1 ZINC000340174245 284155478 /nfs/dbraw/zinc/15/54/78/284155478.db2.gz NNKZLGCYNPMEAA-RTBURBONSA-N 2 1 301.478 2.897 20 0 DFADMP COCCOc1ccc(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604506 193272848 /nfs/dbraw/zinc/27/28/48/193272848.db2.gz OSOLGHNKJZSTQF-SFHVURJKSA-N 2 1 318.461 2.630 20 0 DFADMP COCCOc1ccc(C[N@H+]2CC[C@@H](C[NH+]3CCCC3)C2)cc1 ZINC000093604506 193272849 /nfs/dbraw/zinc/27/28/49/193272849.db2.gz OSOLGHNKJZSTQF-SFHVURJKSA-N 2 1 318.461 2.630 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000093694010 193290839 /nfs/dbraw/zinc/29/08/39/193290839.db2.gz UROCLINGONZKNC-OAHLLOKOSA-N 2 1 306.498 2.709 20 0 DFADMP CCc1nn(C)c(CC)c1C[N@@H+]1CC[C@H](C[NH+](CC)CC)C1 ZINC000093694010 193290841 /nfs/dbraw/zinc/29/08/41/193290841.db2.gz UROCLINGONZKNC-OAHLLOKOSA-N 2 1 306.498 2.709 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2cccnc2C)CC1 ZINC000093769474 193302691 /nfs/dbraw/zinc/30/26/91/193302691.db2.gz FDQPNJGXTDKOIR-UHFFFAOYSA-N 2 1 319.493 2.960 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000600725339 399125662 /nfs/dbraw/zinc/12/56/62/399125662.db2.gz JAWUGWLQFFNPTI-STQMWFEESA-N 2 1 324.387 2.569 20 0 DFADMP CC[NH+](CC)Cc1ccc(NCc2c[nH+]c(N(C)C)n2C)cc1 ZINC000419700146 296147389 /nfs/dbraw/zinc/14/73/89/296147389.db2.gz XJLJPUCTVBDVGG-UHFFFAOYSA-N 2 1 315.465 2.940 20 0 DFADMP COCCOc1ccc(C[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093644884 193282437 /nfs/dbraw/zinc/28/24/37/193282437.db2.gz WOIJVLIEQIBSRF-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[N@@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000093644884 193282439 /nfs/dbraw/zinc/28/24/39/193282439.db2.gz WOIJVLIEQIBSRF-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[NH+](C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000093644884 193282441 /nfs/dbraw/zinc/28/24/41/193282441.db2.gz WOIJVLIEQIBSRF-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COCCOc1ccc(C[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000093644884 193282442 /nfs/dbraw/zinc/28/24/42/193282442.db2.gz WOIJVLIEQIBSRF-DOTOQJQBSA-N 2 1 306.450 2.626 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cs1 ZINC000595895936 399127050 /nfs/dbraw/zinc/12/70/50/399127050.db2.gz WQYQEMGVJSXBHF-GJZGRUSLSA-N 2 1 322.474 2.746 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](Cc3cncs3)CC2)C[C@H](C)O1 ZINC000093844214 193317012 /nfs/dbraw/zinc/31/70/12/193317012.db2.gz ITZFQLWNQUDORJ-GASCZTMLSA-N 2 1 323.506 2.854 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCC2)C[C@H]1c1ccccc1 ZINC000340386191 284179682 /nfs/dbraw/zinc/17/96/82/284179682.db2.gz BSXIJBVNQFMROD-OTWHNJEPSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)C2CCCC2)C[C@H]1c1ccccc1 ZINC000340386191 284179684 /nfs/dbraw/zinc/17/96/84/284179684.db2.gz BSXIJBVNQFMROD-OTWHNJEPSA-N 2 1 302.462 2.963 20 0 DFADMP Cc1nnc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340401480 284180954 /nfs/dbraw/zinc/18/09/54/284180954.db2.gz RAMAZGGGXZQRCM-JKSUJKDBSA-N 2 1 316.474 2.814 20 0 DFADMP Cc1nnc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)s1 ZINC000340401480 284180957 /nfs/dbraw/zinc/18/09/57/284180957.db2.gz RAMAZGGGXZQRCM-JKSUJKDBSA-N 2 1 316.474 2.814 20 0 DFADMP CC[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[N@@H+](C)C(C)C)c1 ZINC000340520658 284186320 /nfs/dbraw/zinc/18/63/20/284186320.db2.gz SVVTYWHIOXBHHQ-GOSISDBHSA-N 2 1 315.465 2.687 20 0 DFADMP CSC[C@](C)(O)C[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274964651 212046916 /nfs/dbraw/zinc/04/69/16/212046916.db2.gz XFKATDJSDFTTNO-KBAYOESNSA-N 2 1 322.518 2.601 20 0 DFADMP [NH3+]C[C@@H]1CCN(c2cc[nH+]c3cc(Br)ccc32)C1 ZINC000420165387 296160171 /nfs/dbraw/zinc/16/01/71/296160171.db2.gz GYKSZUOLORXGDH-JTQLQIEISA-N 2 1 306.207 2.782 20 0 DFADMP CC[C@@H]1CCCC[C@H]1C[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000600117640 399142338 /nfs/dbraw/zinc/14/23/38/399142338.db2.gz MIYAEQHXBQLHRS-CEXWTWQISA-N 2 1 307.526 2.915 20 0 DFADMP CCCCO[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)C1(C)C ZINC000484753652 299419206 /nfs/dbraw/zinc/41/92/06/299419206.db2.gz IUJSREGSWCMEAK-OBVSXPTNSA-N 2 1 324.509 2.717 20 0 DFADMP Cc1[nH+]c2ccccc2c(NC[C@H]2CC[NH2+]CC2(F)F)c1C ZINC000420278382 296168627 /nfs/dbraw/zinc/16/86/27/296168627.db2.gz JFRSTIVEOMZWCI-CYBMUJFWSA-N 2 1 305.372 2.930 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@H]1c1ccccc1 ZINC000420295817 296170431 /nfs/dbraw/zinc/17/04/31/296170431.db2.gz AXDPKQKHYLQTAV-UFYCRDLUSA-N 2 1 310.441 2.754 20 0 DFADMP c1ccc([C@H]2c3ccccc3CC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000420295747 296170513 /nfs/dbraw/zinc/17/05/13/296170513.db2.gz COVFFHZQZNUZEX-NRFANRHFSA-N 2 1 321.468 2.539 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420294660 296170657 /nfs/dbraw/zinc/17/06/57/296170657.db2.gz UBJZBIGLCBATEX-HRCADAONSA-N 2 1 303.450 2.690 20 0 DFADMP Cc1cc(C)cc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c1 ZINC000420294660 296170658 /nfs/dbraw/zinc/17/06/58/296170658.db2.gz UBJZBIGLCBATEX-HRCADAONSA-N 2 1 303.450 2.690 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+](C)C2CCC(OC)CC2)cc1 ZINC000420299511 296171201 /nfs/dbraw/zinc/17/12/01/296171201.db2.gz IWFFVOHPPVDCLX-KLHKWILBSA-N 2 1 306.450 2.627 20 0 DFADMP CC(C)[C@H](CO)[N@@H+](CC[C@@H]1CCC[NH2+]C1)Cc1ccccc1 ZINC000420302966 296171632 /nfs/dbraw/zinc/17/16/32/296171632.db2.gz MVBLYMHYHJYWAA-HKUYNNGSSA-N 2 1 304.478 2.895 20 0 DFADMP CCC[N@@H+](CC[C@@H]1CC[NH2+]C1)CC(=O)Nc1ccc(Cl)cc1 ZINC000420302532 296171571 /nfs/dbraw/zinc/17/15/71/296171571.db2.gz MMXANDCPLJCVHH-AWEZNQCLSA-N 2 1 323.868 2.990 20 0 DFADMP COc1ccc([C@@H](C[NH3+])C[N@H+]2CCCC3(CCOCC3)C2)cc1 ZINC000420302458 296171584 /nfs/dbraw/zinc/17/15/84/296171584.db2.gz MGRAHFHOYWYZLN-KRWDZBQOSA-N 2 1 318.461 2.630 20 0 DFADMP Cc1ncsc1C[N@H+](CC[C@@H]1CCCCO1)C[C@H]1CC[NH2+]C1 ZINC000420302731 296171809 /nfs/dbraw/zinc/17/18/09/296171809.db2.gz BWBDRKGFLDABMK-HOTGVXAUSA-N 2 1 323.506 2.822 20 0 DFADMP Cc1ncsc1C[N@@H+](CC[C@@H]1CCCCO1)C[C@H]1CC[NH2+]C1 ZINC000420302731 296171810 /nfs/dbraw/zinc/17/18/10/296171810.db2.gz BWBDRKGFLDABMK-HOTGVXAUSA-N 2 1 323.506 2.822 20 0 DFADMP C[C@H]([NH3+])C1CC[NH+](Cc2ccn(-c3c(F)cccc3F)n2)CC1 ZINC000420302643 296171867 /nfs/dbraw/zinc/17/18/67/296171867.db2.gz WTWASRRHVCOAKV-LBPRGKRZSA-N 2 1 320.387 2.710 20 0 DFADMP CC(C)(C)c1csc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)n1 ZINC000420308493 296172855 /nfs/dbraw/zinc/17/28/55/296172855.db2.gz SHRGJQHCHCINPY-UONOGXRCSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)(C)c1csc([C@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)n1 ZINC000420308493 296172857 /nfs/dbraw/zinc/17/28/57/296172857.db2.gz SHRGJQHCHCINPY-UONOGXRCSA-N 2 1 323.506 2.814 20 0 DFADMP CC[N@@H+](CC[C@H]1CCC[NH2+]C1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000420308439 296172885 /nfs/dbraw/zinc/17/28/85/296172885.db2.gz SFWVWPKPCDKZQS-MRXNPFEDSA-N 2 1 317.477 2.600 20 0 DFADMP CC(C)(C)c1csc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)n1 ZINC000420308488 296172941 /nfs/dbraw/zinc/17/29/41/296172941.db2.gz SHRGJQHCHCINPY-KBPBESRZSA-N 2 1 323.506 2.814 20 0 DFADMP CC(C)(C)c1csc([C@@H]2C[N@@H+](CC[C@@H]3CC[NH2+]C3)CCO2)n1 ZINC000420308488 296172942 /nfs/dbraw/zinc/17/29/42/296172942.db2.gz SHRGJQHCHCINPY-KBPBESRZSA-N 2 1 323.506 2.814 20 0 DFADMP COc1ccc([C@@H]2CCC[N@H+]2CC[C@@H]2CC[NH2+]C2)cc1OC ZINC000420303440 296172302 /nfs/dbraw/zinc/17/23/02/296172302.db2.gz KIFOPNQBYTTWIY-HOCLYGCPSA-N 2 1 304.434 2.840 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)CC[C@H]1CCC[NH2+]C1 ZINC000420305688 296172473 /nfs/dbraw/zinc/17/24/73/296172473.db2.gz PWPOPDYULTXBML-MRXNPFEDSA-N 2 1 324.440 2.543 20 0 DFADMP COCC[N@@H+](CCOc1ccc(F)cc1)CC[C@@H]1CCC[NH2+]C1 ZINC000420305687 296172530 /nfs/dbraw/zinc/17/25/30/296172530.db2.gz PWPOPDYULTXBML-INIZCTEOSA-N 2 1 324.440 2.543 20 0 DFADMP COC(=O)CCC[N@@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000420306951 296172557 /nfs/dbraw/zinc/17/25/57/296172557.db2.gz IAMBPGGZAJRMPD-OAHLLOKOSA-N 2 1 322.474 2.645 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420306911 296172625 /nfs/dbraw/zinc/17/26/25/296172625.db2.gz LJASQPFDBVWUQC-NXOAAHMSSA-N 2 1 315.461 2.690 20 0 DFADMP Cc1cccc(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)c1C ZINC000420306911 296172627 /nfs/dbraw/zinc/17/26/27/296172627.db2.gz LJASQPFDBVWUQC-NXOAAHMSSA-N 2 1 315.461 2.690 20 0 DFADMP c1ccc(C[N@H+](CC[C@H]2CCCO2)[C@H]2CCC[NH2+]CC2)nc1 ZINC000420305539 296172645 /nfs/dbraw/zinc/17/26/45/296172645.db2.gz GPHWCQYSSNYWEF-ZWKOTPCHSA-N 2 1 303.450 2.595 20 0 DFADMP Cn1cc([C@@H](c2cccc(F)c2)[N@@H+](C)CC[C@@H]2CC[NH2+]C2)cn1 ZINC000420306205 296172705 /nfs/dbraw/zinc/17/27/05/296172705.db2.gz ACMDCBQHDVHJIA-KBXCAEBGSA-N 2 1 316.424 2.580 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCCC[C@@H]2c2cn[nH]c2)cc1 ZINC000420307608 296173106 /nfs/dbraw/zinc/17/31/06/296173106.db2.gz BVVYNXCESDMPCH-CRAIPNDOSA-N 2 1 314.433 2.688 20 0 DFADMP C(C[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000420311578 296173536 /nfs/dbraw/zinc/17/35/36/296173536.db2.gz HEEXICYZOVKXRI-MOPGFXCFSA-N 2 1 307.526 2.964 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CCC[C@@H]1c1ccsc1 ZINC000420318368 296174289 /nfs/dbraw/zinc/17/42/89/296174289.db2.gz OOQQQJGDODMNIL-KSZLIROESA-N 2 1 316.470 2.816 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000420323656 296175307 /nfs/dbraw/zinc/17/53/07/296175307.db2.gz GPLJAPFUVCABAR-RDJZCZTQSA-N 2 1 306.425 2.964 20 0 DFADMP C(C[N@H+]1CCCC[C@H]1c1nnc2n1CCCC2)[C@@H]1CCC[NH2+]C1 ZINC000420325386 296175429 /nfs/dbraw/zinc/17/54/29/296175429.db2.gz WAFJNYAIXYAYCA-HOTGVXAUSA-N 2 1 317.481 2.531 20 0 DFADMP C(C[N@H+]1CCCC[C@@H]1c1nnc2n1CCCC2)[C@H]1CCC[NH2+]C1 ZINC000420325389 296175461 /nfs/dbraw/zinc/17/54/61/296175461.db2.gz WAFJNYAIXYAYCA-HZPDHXFCSA-N 2 1 317.481 2.531 20 0 DFADMP Cc1ccc(C[N@@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2ccnn2C)c1 ZINC000622005108 399165126 /nfs/dbraw/zinc/16/51/26/399165126.db2.gz YSWWPKQCQRGPJP-APWZRJJASA-N 2 1 310.445 2.709 20 0 DFADMP Cc1ccc(C[N@H+]2C[C@H]3CCC[C@]3([NH3+])C2)c(-c2ccnn2C)c1 ZINC000622005108 399165128 /nfs/dbraw/zinc/16/51/28/399165128.db2.gz YSWWPKQCQRGPJP-APWZRJJASA-N 2 1 310.445 2.709 20 0 DFADMP CSc1ccc(OCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000420329695 296176195 /nfs/dbraw/zinc/17/61/95/296176195.db2.gz HDKPDJMYHYIAJJ-GASCZTMLSA-N 2 1 306.475 2.719 20 0 DFADMP c1ccc([C@H]2C[N@H+](CCN3CC[NH2+]CC3)Cc3ccccc32)cc1 ZINC000420325910 296175712 /nfs/dbraw/zinc/17/57/12/296175712.db2.gz WXGNFWYAEPPUBR-OAQYLSRUSA-N 2 1 321.468 2.539 20 0 DFADMP CCCCN(CCCC)C(=O)C[N@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000420335957 296177186 /nfs/dbraw/zinc/17/71/86/296177186.db2.gz IGCJDRCSDKLBDM-ZWKOTPCHSA-N 2 1 323.525 2.737 20 0 DFADMP Cc1cc(C)cc(NC(=O)C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1 ZINC000420339005 296177526 /nfs/dbraw/zinc/17/75/26/296177526.db2.gz LJXCDZZEXPVSHG-IRXDYDNUSA-N 2 1 315.461 2.563 20 0 DFADMP CCc1ccc(NC(=O)C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc1 ZINC000420343910 296177802 /nfs/dbraw/zinc/17/78/02/296177802.db2.gz RRIGSBAQUKIVKB-SJORKVTESA-N 2 1 315.461 2.509 20 0 DFADMP c1ccc(-c2nc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)no2)cc1 ZINC000420342859 296177888 /nfs/dbraw/zinc/17/78/88/296177888.db2.gz QCRYWFIQPCHKHN-HOTGVXAUSA-N 2 1 312.417 2.558 20 0 DFADMP c1ccc(-c2nc(C[N@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)no2)cc1 ZINC000420342859 296177889 /nfs/dbraw/zinc/17/78/89/296177889.db2.gz QCRYWFIQPCHKHN-HOTGVXAUSA-N 2 1 312.417 2.558 20 0 DFADMP Cc1ccc(NC(=O)[C@H]2C[C@@H]3CCCC[N@H+]3C2)c(C[NH+](C)C)c1 ZINC000080669205 399168082 /nfs/dbraw/zinc/16/80/82/399168082.db2.gz LALITOIJDCLSEN-IRXDYDNUSA-N 2 1 315.461 2.870 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@@H](C)[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000420341800 296177685 /nfs/dbraw/zinc/17/76/85/296177685.db2.gz QGYFNOHRCBOYNT-ZACQAIPSSA-N 2 1 315.461 2.562 20 0 DFADMP COCCOCCC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000274878161 212003475 /nfs/dbraw/zinc/00/34/75/212003475.db2.gz HACBGEBBYPNHDE-IEBWSBKVSA-N 2 1 320.477 2.540 20 0 DFADMP CC[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccc(OC)cc1 ZINC000282509219 217049971 /nfs/dbraw/zinc/04/99/71/217049971.db2.gz YSNZDYZJJPZYDT-SFHVURJKSA-N 2 1 319.493 2.762 20 0 DFADMP C[C@@H](O)C[N@@H+](CC1CC[NH2+]CC1)[C@H](C)Cc1ccc(Cl)cc1 ZINC000261871741 296179302 /nfs/dbraw/zinc/17/93/02/296179302.db2.gz VIRLDDKQLVEXHC-HUUCEWRRSA-N 2 1 324.896 2.953 20 0 DFADMP CCOC(=O)C1CCC([NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)CC1 ZINC000596094052 399171154 /nfs/dbraw/zinc/17/11/54/399171154.db2.gz IATSDBYPBVUEBX-AOCRQIFASA-N 2 1 322.493 2.820 20 0 DFADMP COc1ccc([C@H](C[NH3+])C[N@H+]2CCC[C@H]2c2cccnc2)cc1 ZINC000420364975 296180724 /nfs/dbraw/zinc/18/07/24/296180724.db2.gz RQMZKTJBNWKWKA-MJGOQNOKSA-N 2 1 311.429 2.970 20 0 DFADMP COC(=O)c1cc2cc(C[NH2+][C@H](C[NH3+])C(C)(C)C)ccc2o1 ZINC000420365526 296180854 /nfs/dbraw/zinc/18/08/54/296180854.db2.gz QEHHHWFNEZJQAJ-OAHLLOKOSA-N 2 1 304.390 2.682 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@@H+](C)C[C@@H]2C)o1 ZINC000607516255 399172860 /nfs/dbraw/zinc/17/28/60/399172860.db2.gz FXOURLIUTUXNRL-HOCLYGCPSA-N 2 1 321.465 2.534 20 0 DFADMP C[N@@H+](CC[C@@H]1CCC[NH2+]C1)C1CCN(c2ccccc2)CC1 ZINC000420372147 296181746 /nfs/dbraw/zinc/18/17/46/296181746.db2.gz LDYVCWRKFBMGHA-KRWDZBQOSA-N 2 1 301.478 2.977 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)[N@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1 ZINC000420372325 296181761 /nfs/dbraw/zinc/18/17/61/296181761.db2.gz FCQXDBCJFNOWHD-SJORKVTESA-N 2 1 317.412 2.664 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC[C@H]2CC[NH2+]C2)CC1)CC1CC1 ZINC000420379858 296182996 /nfs/dbraw/zinc/18/29/96/296182996.db2.gz VWUSAHKZBJZOEG-GOSISDBHSA-N 3 1 307.526 2.820 20 0 DFADMP COC(=O)C1(C[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)CC1 ZINC000448524338 297341149 /nfs/dbraw/zinc/34/11/49/297341149.db2.gz HBLYNDAJHYVRQE-HZPDHXFCSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)C1(C[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)CC1 ZINC000448524338 297341150 /nfs/dbraw/zinc/34/11/50/297341150.db2.gz HBLYNDAJHYVRQE-HZPDHXFCSA-N 2 1 308.466 2.526 20 0 DFADMP COC(=O)C1(C[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)CC1 ZINC000448524338 297341151 /nfs/dbraw/zinc/34/11/51/297341151.db2.gz HBLYNDAJHYVRQE-HZPDHXFCSA-N 2 1 308.466 2.526 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342089646 284324038 /nfs/dbraw/zinc/32/40/38/284324038.db2.gz AXMAPYFQBPILFZ-KNPMLCFXSA-N 2 1 321.852 2.726 20 0 DFADMP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342089646 284324039 /nfs/dbraw/zinc/32/40/39/284324039.db2.gz AXMAPYFQBPILFZ-KNPMLCFXSA-N 2 1 321.852 2.726 20 0 DFADMP O=C(CC[N@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1)Nc1cccc(F)c1 ZINC000420390944 296185174 /nfs/dbraw/zinc/18/51/74/296185174.db2.gz IBDNHWMSNBMRPP-WMLDXEAASA-N 2 1 319.424 2.618 20 0 DFADMP C[C@H]1CC(CC[N@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)C[C@H](C)C1 ZINC000420389772 296184933 /nfs/dbraw/zinc/18/49/33/296184933.db2.gz YSXZDCUOAZCTGM-RKVPGOIHSA-N 2 1 319.497 2.836 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+][C@]1(Cc2ccc(Cl)cc2)CCOC1 ZINC000282722764 217202594 /nfs/dbraw/zinc/20/25/94/217202594.db2.gz MBERUGUMMFPPHT-KRWDZBQOSA-N 2 1 319.836 2.836 20 0 DFADMP Cc1ccc(C[NH2+]CC2=CC[N@@H+](C)CC2)c(-c2cnn(C)c2)c1 ZINC000282724572 217204884 /nfs/dbraw/zinc/20/48/84/217204884.db2.gz SAXGUKKQIANNPO-UHFFFAOYSA-N 2 1 310.445 2.747 20 0 DFADMP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000266117603 205110930 /nfs/dbraw/zinc/11/09/30/205110930.db2.gz IKUVFHBYSWJJDZ-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP CN(CC[C@@H]1CCCC[N@H+]1C)C(=O)[C@@H](c1ccccc1)[NH+](C)C ZINC000266117603 205110934 /nfs/dbraw/zinc/11/09/34/205110934.db2.gz IKUVFHBYSWJJDZ-ZWKOTPCHSA-N 2 1 317.477 2.622 20 0 DFADMP Clc1cc(Cl)cc(OCC[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000607727255 399189394 /nfs/dbraw/zinc/18/93/94/399189394.db2.gz SJBJEXDEXKSFEB-QWRGUYRKSA-N 2 1 301.217 2.523 20 0 DFADMP CC[N@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282863683 217286869 /nfs/dbraw/zinc/28/68/69/217286869.db2.gz UZDOYHLWPZJNHV-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP CC[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282863683 217286870 /nfs/dbraw/zinc/28/68/70/217286870.db2.gz UZDOYHLWPZJNHV-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282863683 217286872 /nfs/dbraw/zinc/28/68/72/217286872.db2.gz UZDOYHLWPZJNHV-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP CC[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(-c3cnn(C)c3)s2)C1 ZINC000282863683 217286874 /nfs/dbraw/zinc/28/68/74/217286874.db2.gz UZDOYHLWPZJNHV-CQSZACIVSA-N 2 1 318.490 2.922 20 0 DFADMP C[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+]1CCCCCC1 ZINC000618662002 399200735 /nfs/dbraw/zinc/20/07/35/399200735.db2.gz VCTSBDJPNUAJFK-SJORKVTESA-N 2 1 321.509 2.774 20 0 DFADMP CC[C@H](C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[NH+](CC)CC ZINC000618661075 399200441 /nfs/dbraw/zinc/20/04/41/399200441.db2.gz NQHDJLGIFSBUKK-DOTOQJQBSA-N 2 1 309.498 2.630 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000618665520 399203003 /nfs/dbraw/zinc/20/30/03/399203003.db2.gz JXPYTFVKYVAFRK-HUUCEWRRSA-N 2 1 309.498 2.676 20 0 DFADMP CO[C@@]1(C(F)(F)F)CCCN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000682036918 545780398 /nfs/dbraw/zinc/78/03/98/545780398.db2.gz HLWVPRHBWQGXBA-KGLIPLIRSA-N 2 1 308.388 2.904 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC000081292781 399223753 /nfs/dbraw/zinc/22/37/53/399223753.db2.gz VYSXYIQCODQHFN-UHFFFAOYSA-N 2 1 323.525 2.686 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000271666556 209109225 /nfs/dbraw/zinc/10/92/25/209109225.db2.gz MCRIRAHDRMZSDE-GOEBONIOSA-N 2 1 324.490 2.615 20 0 DFADMP C[C@H]([NH2+]CC[C@H]1CCCC[N@H+]1C)c1ccc(S(C)(=O)=O)cc1 ZINC000271666556 209109228 /nfs/dbraw/zinc/10/92/28/209109228.db2.gz MCRIRAHDRMZSDE-GOEBONIOSA-N 2 1 324.490 2.615 20 0 DFADMP CO[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922138 296212735 /nfs/dbraw/zinc/21/27/35/296212735.db2.gz NGYRKUSUTGXCTA-MOPGFXCFSA-N 2 1 318.461 2.566 20 0 DFADMP C[N@H+](CC[C@@H]1CCCO1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922459 296212873 /nfs/dbraw/zinc/21/28/73/296212873.db2.gz OGPLKEFFZOJCRV-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP C[N@@H+](CC[C@@H]1CCCO1)Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000420922459 296212875 /nfs/dbraw/zinc/21/28/75/296212875.db2.gz OGPLKEFFZOJCRV-IBGZPJMESA-N 2 1 318.461 2.520 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000267457571 206079934 /nfs/dbraw/zinc/07/99/34/206079934.db2.gz PXDHCFLHKFZSDJ-AFAVFJNCSA-N 2 1 312.404 2.660 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000267457571 206079938 /nfs/dbraw/zinc/07/99/38/206079938.db2.gz PXDHCFLHKFZSDJ-AFAVFJNCSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000267457571 206079941 /nfs/dbraw/zinc/07/99/41/206079941.db2.gz PXDHCFLHKFZSDJ-AFAVFJNCSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](O)c2ccc(F)cc2F)[C@@H](C)C1 ZINC000267457571 206079945 /nfs/dbraw/zinc/07/99/45/206079945.db2.gz PXDHCFLHKFZSDJ-AFAVFJNCSA-N 2 1 312.404 2.660 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[N@H+](C)CC)C2)o1 ZINC000608240791 399245446 /nfs/dbraw/zinc/24/54/46/399245446.db2.gz YATRVMIHXVSCTK-HNNXBMFYSA-N 2 1 321.465 2.535 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@H+]([C@H](C)c3cccnc3)CC2)CC1 ZINC000420972420 296219820 /nfs/dbraw/zinc/21/98/20/296219820.db2.gz AVBHQFDMUIQMOA-QGZVFWFLSA-N 2 1 316.493 2.635 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@@H+](Cc3cccc(C4CC4)c3)C2)CC1 ZINC000421318798 296244151 /nfs/dbraw/zinc/24/41/51/296244151.db2.gz IEENBSPSSUBCBT-FQEVSTJZSA-N 2 1 313.489 2.776 20 0 DFADMP CC(C)C1CC[NH+](C[C@H](O)C[N@H+](C)Cc2ccccc2)CC1 ZINC000608499396 399272053 /nfs/dbraw/zinc/27/20/53/399272053.db2.gz QYPUDATYUINXME-LJQANCHMSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)C1CC[NH+](C[C@H](O)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000608499396 399272057 /nfs/dbraw/zinc/27/20/57/399272057.db2.gz QYPUDATYUINXME-LJQANCHMSA-N 2 1 304.478 2.847 20 0 DFADMP CC(C)[NH+]1CCN([C@H]2CC[N@H+]([C@@H]3CCc4ccccc43)C2)CC1 ZINC000614962605 399286140 /nfs/dbraw/zinc/28/61/40/399286140.db2.gz LQOGOWROLSRVHM-AZUAARDMSA-N 2 1 313.489 2.774 20 0 DFADMP C[NH+]1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000042224629 183244401 /nfs/dbraw/zinc/24/44/01/183244401.db2.gz KBLUFVCKMVCYFU-UHFFFAOYSA-N 2 1 313.239 2.512 20 0 DFADMP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1c(F)cccc1F ZINC000051907798 425883447 /nfs/dbraw/zinc/88/34/47/425883447.db2.gz FRVWYJVCGFWZQU-KRWDZBQOSA-N 2 1 324.415 2.806 20 0 DFADMP CCOC(=O)CCCCC[N@H+]1CCC[C@H](n2ccnc2C)C1 ZINC000609799355 399331773 /nfs/dbraw/zinc/33/17/73/399331773.db2.gz YQGYHMCWYAMWPZ-INIZCTEOSA-N 2 1 307.438 2.952 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000284472487 218042168 /nfs/dbraw/zinc/04/21/68/218042168.db2.gz UKHUXFZXGBCLJA-HNAYVOBHSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n(C)n1 ZINC000284472487 218042170 /nfs/dbraw/zinc/04/21/70/218042170.db2.gz UKHUXFZXGBCLJA-HNAYVOBHSA-N 2 1 312.461 2.729 20 0 DFADMP COC(=O)C(C)(C)CC[N@@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000619424114 399343220 /nfs/dbraw/zinc/34/32/20/399343220.db2.gz UMUKTVHWIDNDFN-HNNXBMFYSA-N 2 1 319.449 2.713 20 0 DFADMP COC(=O)C(C)(C)CC[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000619424114 399343221 /nfs/dbraw/zinc/34/32/21/399343221.db2.gz UMUKTVHWIDNDFN-HNNXBMFYSA-N 2 1 319.449 2.713 20 0 DFADMP C[C@@H]([C@H]1CC[N@@H+](Cc2ccccc2)C1)N1CCc2n[nH]cc2C1 ZINC000623242309 399345038 /nfs/dbraw/zinc/34/50/38/399345038.db2.gz WOPHDOGKDPTQSS-RDJZCZTQSA-N 2 1 310.445 2.678 20 0 DFADMP C[NH+](C)C1CCC(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000422006305 296289641 /nfs/dbraw/zinc/28/96/41/296289641.db2.gz LQSOUDQNVWOENA-KLAILNCOSA-N 2 1 321.509 2.630 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]Cc2ccc3cc[nH]c3c2)CC1 ZINC000623356971 399370935 /nfs/dbraw/zinc/37/09/35/399370935.db2.gz RBUIKOBNVQVRHJ-UHFFFAOYSA-N 2 1 314.477 2.675 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3)C2)CC1(C)C ZINC000623356478 399371118 /nfs/dbraw/zinc/37/11/18/399371118.db2.gz SJPGTUOZSVTBBX-DLBZAZTESA-N 2 1 301.478 2.975 20 0 DFADMP CSCCCCC[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000601968119 399371239 /nfs/dbraw/zinc/37/12/39/399371239.db2.gz XQWICSHSCMSPRQ-GOSISDBHSA-N 2 1 322.518 2.746 20 0 DFADMP CSCCCCC[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000601968119 399371240 /nfs/dbraw/zinc/37/12/40/399371240.db2.gz XQWICSHSCMSPRQ-GOSISDBHSA-N 2 1 322.518 2.746 20 0 DFADMP C[N@H+]1CC[C@@H](NCc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000623354964 399370246 /nfs/dbraw/zinc/37/02/46/399370246.db2.gz QPWGMROALOSMSD-MRXNPFEDSA-N 2 1 302.466 2.644 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCC3)nc2)CC1(C)C ZINC000623354964 399370253 /nfs/dbraw/zinc/37/02/53/399370253.db2.gz QPWGMROALOSMSD-MRXNPFEDSA-N 2 1 302.466 2.644 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC1CC1 ZINC000623360978 399371979 /nfs/dbraw/zinc/37/19/79/399371979.db2.gz ICQIJUGQHVBSLR-HZPDHXFCSA-N 2 1 316.445 2.953 20 0 DFADMP COc1ccc(C[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC1CC1 ZINC000623360978 399371983 /nfs/dbraw/zinc/37/19/83/399371983.db2.gz ICQIJUGQHVBSLR-HZPDHXFCSA-N 2 1 316.445 2.953 20 0 DFADMP CCC(CC)C(=O)N1CCC([NH2+][C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623363291 399372678 /nfs/dbraw/zinc/37/26/78/399372678.db2.gz LNULJOLAZOGVCA-KRWDZBQOSA-N 2 1 323.525 2.876 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1(C)C ZINC000623376013 399374967 /nfs/dbraw/zinc/37/49/67/399374967.db2.gz BYRLHPUDZHNYAG-HNNXBMFYSA-N 2 1 316.424 2.974 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(-n3ccnc3)c(F)c2)CC1(C)C ZINC000623376013 399374969 /nfs/dbraw/zinc/37/49/69/399374969.db2.gz BYRLHPUDZHNYAG-HNNXBMFYSA-N 2 1 316.424 2.974 20 0 DFADMP C[NH+](C)C[C@H](Cc1ccccc1)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623370436 399374246 /nfs/dbraw/zinc/37/42/46/399374246.db2.gz KAVVDHMBBCFDEJ-MSOLQXFVSA-N 2 1 303.494 2.622 20 0 DFADMP C[C@H]1Cc2ccccc2N1CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623380513 399376203 /nfs/dbraw/zinc/37/62/03/399376203.db2.gz BSQSXXFCBSCQEH-DOTOQJQBSA-N 2 1 301.478 2.900 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2c[nH]c3ccccc23)CC1(C)C ZINC000623421716 399385857 /nfs/dbraw/zinc/38/58/57/399385857.db2.gz XLCIKELKUYKJRR-HOTGVXAUSA-N 2 1 315.461 2.534 20 0 DFADMP C[NH+](C)C1(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC000623429477 399387269 /nfs/dbraw/zinc/38/72/69/399387269.db2.gz FYYANMHGPYFBII-GOSISDBHSA-N 2 1 315.505 2.548 20 0 DFADMP CN(C)C1(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC000623429477 399387274 /nfs/dbraw/zinc/38/72/74/399387274.db2.gz FYYANMHGPYFBII-GOSISDBHSA-N 2 1 315.505 2.548 20 0 DFADMP CN(C)C1(C[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)Cc2ccccc2C1 ZINC000623429477 399387279 /nfs/dbraw/zinc/38/72/79/399387279.db2.gz FYYANMHGPYFBII-GOSISDBHSA-N 2 1 315.505 2.548 20 0 DFADMP CC[C@@H]1CN(C(=O)C(C)C)CC[C@H]1[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623435369 399388907 /nfs/dbraw/zinc/38/89/07/399388907.db2.gz BOQUEYVMPSMEDI-IXDOHACOSA-N 2 1 323.525 2.732 20 0 DFADMP C[NH+](CCN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440270 399390526 /nfs/dbraw/zinc/39/05/26/399390526.db2.gz PRXNJBUOUHGCJS-QGZVFWFLSA-N 2 1 307.457 2.720 20 0 DFADMP C[NH+](CCN[C@@H]1CC[N@@H+](C)C(C)(C)C1)Cc1ccc(F)cc1 ZINC000623440270 399390527 /nfs/dbraw/zinc/39/05/27/399390527.db2.gz PRXNJBUOUHGCJS-QGZVFWFLSA-N 2 1 307.457 2.720 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)c1ccccc1-n1ccnn1 ZINC000285502110 218475716 /nfs/dbraw/zinc/47/57/16/218475716.db2.gz AGUTUTAFSNKFDT-GJZGRUSLSA-N 2 1 324.432 2.759 20 0 DFADMP Cc1c(Cl)c(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)nn1C ZINC000422556998 296311939 /nfs/dbraw/zinc/31/19/39/296311939.db2.gz UZDBOEJJJSUXKJ-AWEZNQCLSA-N 2 1 306.841 2.952 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@H](C[NH3+])[C@H](C)C[C@H]3C)cnc21 ZINC000422559672 296312386 /nfs/dbraw/zinc/31/23/86/296312386.db2.gz DTBAFCKCCAQPMY-CPUCHLNUSA-N 2 1 315.465 2.817 20 0 DFADMP Cc1nn(-c2ccccc2)cc1C[N@H+]1C[C@H](C[NH3+])[C@H](C)C[C@H]1C ZINC000422565713 296313389 /nfs/dbraw/zinc/31/33/89/296313389.db2.gz ZUAUNAFIRRWTAU-INMHGKMJSA-N 2 1 312.461 2.986 20 0 DFADMP OCc1cccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c1 ZINC000268901316 207068254 /nfs/dbraw/zinc/06/82/54/207068254.db2.gz RDWSXKMEIODTMG-UHFFFAOYSA-N 2 1 324.468 2.976 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCCOCCc2ccccc2)C[C@H]1C[NH3+] ZINC000422625265 296316478 /nfs/dbraw/zinc/31/64/78/296316478.db2.gz BBZZKSNSMNVIBY-ZIFCJYIRSA-N 2 1 304.478 2.941 20 0 DFADMP Cn1nc(CC[NH2+][C@@H]2CC[N@@H+](C)C(C)(C)C2)c2ccccc21 ZINC000623495623 399401704 /nfs/dbraw/zinc/40/17/04/399401704.db2.gz KNKYGYMVZYFCNW-CQSZACIVSA-N 2 1 300.450 2.578 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2CCC[C@@H]2[NH3+])ccc1OC(F)F ZINC000422689194 296317884 /nfs/dbraw/zinc/31/78/84/296317884.db2.gz DWQJOUAHIFKLBQ-NWDGAFQWSA-N 2 1 300.349 2.656 20 0 DFADMP COc1ccc(Oc2cc(C[NH2+]C3CC[NH2+]CC3)ccn2)cc1 ZINC000422695843 296317890 /nfs/dbraw/zinc/31/78/90/296317890.db2.gz QFYJHXIIGGMKID-UHFFFAOYSA-N 2 1 313.401 2.724 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C(C)(C)C ZINC000268917594 207084347 /nfs/dbraw/zinc/08/43/47/207084347.db2.gz VHKFVJGMIJHKNT-NXHRZFHOSA-N 2 1 304.478 2.894 20 0 DFADMP CC[C@H](C(=O)NCC1([NH3+])CCCCC1)[N@@H+](C)Cc1ccccc1 ZINC000422703281 296318609 /nfs/dbraw/zinc/31/86/09/296318609.db2.gz HKZAMAKLWIBIEK-QGZVFWFLSA-N 2 1 317.477 2.675 20 0 DFADMP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422708636 296319438 /nfs/dbraw/zinc/31/94/38/296319438.db2.gz CCMGJKVZFVYIRI-MDZRGWNJSA-N 2 1 301.478 2.553 20 0 DFADMP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3cccc4nsnc43)CC[C@H]21 ZINC000268946441 207109866 /nfs/dbraw/zinc/10/98/66/207109866.db2.gz BHKACUJZQOHLMN-IUODEOHRSA-N 2 1 302.447 2.607 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](Cc3cccc4nsnc43)CC[C@H]21 ZINC000268946441 207109869 /nfs/dbraw/zinc/10/98/69/207109869.db2.gz BHKACUJZQOHLMN-IUODEOHRSA-N 2 1 302.447 2.607 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](Cc3cccc4nsnc43)CC[C@H]21 ZINC000268946441 207109874 /nfs/dbraw/zinc/10/98/74/207109874.db2.gz BHKACUJZQOHLMN-IUODEOHRSA-N 2 1 302.447 2.607 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](Cc3cccc4nsnc43)CC[C@H]21 ZINC000268946441 207109879 /nfs/dbraw/zinc/10/98/79/207109879.db2.gz BHKACUJZQOHLMN-IUODEOHRSA-N 2 1 302.447 2.607 20 0 DFADMP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@@H+]1CCc2sccc2C1 ZINC000422711310 296320177 /nfs/dbraw/zinc/32/01/77/296320177.db2.gz GWYQWRAUYRUKIO-FMKPAKJESA-N 2 1 307.507 2.615 20 0 DFADMP C[C@H](CN[C@H](C)[C@@H]1CCCC[NH2+]1)[N@H+]1CCc2sccc2C1 ZINC000422711310 296320178 /nfs/dbraw/zinc/32/01/78/296320178.db2.gz GWYQWRAUYRUKIO-FMKPAKJESA-N 2 1 307.507 2.615 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CCC[C@@H]2[NH3+])cc1OC1CCCC1 ZINC000422713931 296320501 /nfs/dbraw/zinc/32/05/01/296320501.db2.gz QEIQHGDFHMFFKI-HOTGVXAUSA-N 2 1 304.434 2.986 20 0 DFADMP C[NH+](C)CCCOc1ccc(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000422718522 296320986 /nfs/dbraw/zinc/32/09/86/296320986.db2.gz PVYBKZBSOJFJDD-MOPGFXCFSA-N 3 1 319.493 2.767 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714549 296320690 /nfs/dbraw/zinc/32/06/90/296320690.db2.gz LAGVXNPJZTUUBA-UFYCRDLUSA-N 3 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000422714549 296320691 /nfs/dbraw/zinc/32/06/91/296320691.db2.gz LAGVXNPJZTUUBA-UFYCRDLUSA-N 2 1 315.505 2.658 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000422714549 296320693 /nfs/dbraw/zinc/32/06/93/296320693.db2.gz LAGVXNPJZTUUBA-UFYCRDLUSA-N 2 1 315.505 2.658 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@@H](C)C[NH+]2CCCC2)s1 ZINC000058065074 184072695 /nfs/dbraw/zinc/07/26/95/184072695.db2.gz NKWSTBDDWMIWDM-CQSZACIVSA-N 2 1 310.511 2.811 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN2Cc2ccccc2)CC1(C)C ZINC000623575128 399419857 /nfs/dbraw/zinc/41/98/57/399419857.db2.gz LWIMYICMMWPZKO-ZWKOTPCHSA-N 2 1 301.478 2.723 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCN[C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422731872 296323243 /nfs/dbraw/zinc/32/32/43/296323243.db2.gz OEMOXWVJZMBKIY-YOEHRIQHSA-N 2 1 304.482 2.764 20 0 DFADMP CC[C@H]1CCCCN1CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422731872 296323244 /nfs/dbraw/zinc/32/32/44/296323244.db2.gz OEMOXWVJZMBKIY-YOEHRIQHSA-N 2 1 304.482 2.764 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@H+](C)C2)c(OC)c1OC ZINC000623655299 399435818 /nfs/dbraw/zinc/43/58/18/399435818.db2.gz UJITZRGVTCSDGN-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP COc1ccc(C[NH2+]C[C@H]2CCCC[N@@H+](C)C2)c(OC)c1OC ZINC000623655299 399435819 /nfs/dbraw/zinc/43/58/19/399435819.db2.gz UJITZRGVTCSDGN-CQSZACIVSA-N 2 1 322.449 2.534 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000623656997 399436798 /nfs/dbraw/zinc/43/67/98/399436798.db2.gz HJJWGULISIOBRX-IEBWSBKVSA-N 2 1 318.461 2.676 20 0 DFADMP C[N@H+]1CCCC[C@@H](C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)C1 ZINC000623656999 399437361 /nfs/dbraw/zinc/43/73/61/399437361.db2.gz HJJWGULISIOBRX-PKOBYXMFSA-N 2 1 318.461 2.676 20 0 DFADMP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000623657641 399438013 /nfs/dbraw/zinc/43/80/13/399438013.db2.gz VUJYBHWFNMYBQE-UKRRQHHQSA-N 2 1 309.479 2.816 20 0 DFADMP C[N@H+]1CCCC[C@H](C[NH2+]Cc2cnc([C@H]3CCCO3)s2)C1 ZINC000623657641 399438016 /nfs/dbraw/zinc/43/80/16/399438016.db2.gz VUJYBHWFNMYBQE-UKRRQHHQSA-N 2 1 309.479 2.816 20 0 DFADMP CC(C)(O)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269064915 207212946 /nfs/dbraw/zinc/21/29/46/207212946.db2.gz VJQWMRNORSHEAO-ZWKOTPCHSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269064915 207212949 /nfs/dbraw/zinc/21/29/49/207212949.db2.gz VJQWMRNORSHEAO-ZWKOTPCHSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269064915 207212952 /nfs/dbraw/zinc/21/29/52/207212952.db2.gz VJQWMRNORSHEAO-ZWKOTPCHSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2ccccc2)C1 ZINC000269064910 207213461 /nfs/dbraw/zinc/21/34/61/207213461.db2.gz VJQWMRNORSHEAO-MSOLQXFVSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2Cc2ccccc2)C1 ZINC000269064910 207213464 /nfs/dbraw/zinc/21/34/64/207213464.db2.gz VJQWMRNORSHEAO-MSOLQXFVSA-N 2 1 302.462 2.744 20 0 DFADMP CC(C)(O)C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2Cc2ccccc2)C1 ZINC000269064910 207213468 /nfs/dbraw/zinc/21/34/68/207213468.db2.gz VJQWMRNORSHEAO-MSOLQXFVSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H](O)C[C@H](C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000269076032 207223423 /nfs/dbraw/zinc/22/34/23/207223423.db2.gz YMMGZUKQYCDZJA-DLBZAZTESA-N 2 1 304.478 2.690 20 0 DFADMP COC(=O)CC[N@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000611243506 399450313 /nfs/dbraw/zinc/45/03/13/399450313.db2.gz TXLYNVAWXCYXRD-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[N@@H+](CC[C@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000611243506 399450316 /nfs/dbraw/zinc/45/03/16/399450316.db2.gz TXLYNVAWXCYXRD-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[NH+](CC[C@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000611243506 399450319 /nfs/dbraw/zinc/45/03/19/399450319.db2.gz TXLYNVAWXCYXRD-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP COC(=O)CC[NH+](CC[C@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000611243506 399450326 /nfs/dbraw/zinc/45/03/26/399450326.db2.gz TXLYNVAWXCYXRD-QGZVFWFLSA-N 2 1 304.434 2.536 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000269124724 207259686 /nfs/dbraw/zinc/25/96/86/207259686.db2.gz BRMBPTOZARUSSP-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)CC(=O)Nc1c(C)cccc1C ZINC000269124724 207259687 /nfs/dbraw/zinc/25/96/87/207259687.db2.gz BRMBPTOZARUSSP-UHFFFAOYSA-N 2 1 314.433 2.769 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C)CC1 ZINC000052209454 425883953 /nfs/dbraw/zinc/88/39/53/425883953.db2.gz SKWBNMHIQYQYKA-KRWDZBQOSA-N 2 1 323.525 2.831 20 0 DFADMP C[C@H](N[C@H]1CC[N@H+]([C@@H](C)c2ccccc2)C1)[C@@H]1CCCC[NH2+]1 ZINC000422740764 296324478 /nfs/dbraw/zinc/32/44/78/296324478.db2.gz NEAVPSSHOBPAGI-CAMMJAKZSA-N 2 1 301.478 2.942 20 0 DFADMP CC[C@H](C(=O)N1CCCC[C@H]1[C@@H](C)[NH3+])[N@@H+](C)Cc1ccccc1 ZINC000422735830 296323897 /nfs/dbraw/zinc/32/38/97/296323897.db2.gz WTUBLPXVMAETLR-NXHRZFHOSA-N 2 1 317.477 2.625 20 0 DFADMP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738369 296323963 /nfs/dbraw/zinc/32/39/63/296323963.db2.gz JOUZQFDAHHQXDH-RWQQGDIJSA-N 2 1 301.478 2.800 20 0 DFADMP C[C@H](c1ccccc1)[N@H+]1CC[C@@H](N[C@H]2CC[NH2+]CC[C@H]2C)C1 ZINC000422738369 296323964 /nfs/dbraw/zinc/32/39/64/296323964.db2.gz JOUZQFDAHHQXDH-RWQQGDIJSA-N 2 1 301.478 2.800 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1NC[C@H]1CCC[N@H+]1Cc1ccccc1 ZINC000422738250 296324190 /nfs/dbraw/zinc/32/41/90/296324190.db2.gz JHQXRVVPMJVKCY-GUDVDZBRSA-N 2 1 301.478 2.901 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H]1CCCN1Cc1ccccc1 ZINC000422738250 296324192 /nfs/dbraw/zinc/32/41/92/296324192.db2.gz JHQXRVVPMJVKCY-GUDVDZBRSA-N 2 1 301.478 2.901 20 0 DFADMP CCC[NH+]1CCC(C[NH2+][C@@H](Cc2ccccc2)[C@H](C)N)CC1 ZINC000422746722 296325539 /nfs/dbraw/zinc/32/55/39/296325539.db2.gz XBAWSEZKNDABCD-LPHOPBHVSA-N 2 1 303.494 2.657 20 0 DFADMP c1ccc([C@@H]2C[C@@H]([NH2+]Cc3ccc4c(c3)OCO4)CC[NH2+]2)cc1 ZINC000422748722 296325734 /nfs/dbraw/zinc/32/57/34/296325734.db2.gz VUGCPDMWJOEGAZ-IRXDYDNUSA-N 2 1 310.397 2.998 20 0 DFADMP COC(=O)c1csc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)c1 ZINC000602562721 399476605 /nfs/dbraw/zinc/47/66/05/399476605.db2.gz VZRXQTLQIJQRMX-AGUYFDCRSA-N 2 1 308.447 2.640 20 0 DFADMP COc1cccc([C@H](CN[C@H](C)C[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000422754338 296327390 /nfs/dbraw/zinc/32/73/90/296327390.db2.gz GVWSXQPOAKWYCF-DAYGRLMNSA-N 2 1 305.466 2.548 20 0 DFADMP COc1cccc([C@H](CN[C@@H](C)C[C@H](C)[NH3+])[NH+]2CCCC2)c1 ZINC000422754339 296327467 /nfs/dbraw/zinc/32/74/67/296327467.db2.gz GVWSXQPOAKWYCF-MPGHIAIKSA-N 2 1 305.466 2.548 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000422752844 296326879 /nfs/dbraw/zinc/32/68/79/296326879.db2.gz HOQUYZGXWJLHBZ-NEWSRXKRSA-N 2 1 317.477 2.562 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCC[N@@H+](C)Cc1ccccc1 ZINC000422759290 296328123 /nfs/dbraw/zinc/32/81/23/296328123.db2.gz LBDCOSFQLFFQBU-FXAWDEMLSA-N 2 1 311.473 2.667 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@H]2CCC[N@H+](CC(C)C)C2)c1 ZINC000602574745 399480336 /nfs/dbraw/zinc/48/03/36/399480336.db2.gz MQDRPWAPGHLZNJ-CQSZACIVSA-N 2 1 324.490 2.992 20 0 DFADMP COC(=O)c1csc(C[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)c1 ZINC000602574745 399480340 /nfs/dbraw/zinc/48/03/40/399480340.db2.gz MQDRPWAPGHLZNJ-CQSZACIVSA-N 2 1 324.490 2.992 20 0 DFADMP OC[C@H](C[NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)Cc1ccccc1 ZINC000422763606 296328942 /nfs/dbraw/zinc/32/89/42/296328942.db2.gz OXGSGQQCDFGPEZ-TYPHKJRUSA-N 2 1 324.468 2.921 20 0 DFADMP C[C@@H](NC[C@@H]1CCCC[N@H+]1Cc1ccccc1)[C@H]1CCC[NH2+]1 ZINC000422776512 296331217 /nfs/dbraw/zinc/33/12/17/296331217.db2.gz CTKXVWOWMXOVQS-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C)O[C@@H](C)C2 ZINC000422777729 296331499 /nfs/dbraw/zinc/33/14/99/296331499.db2.gz GIJPCPFEKGVBJU-JKIFEVAISA-N 2 1 318.461 2.886 20 0 DFADMP Cc1c([C@H](C)[NH2+]C2CC[NH2+]CC2)cnn1-c1ccc(F)cc1 ZINC000422783834 296332325 /nfs/dbraw/zinc/33/23/25/296332325.db2.gz NIFYZVZDJLPAFZ-LBPRGKRZSA-N 2 1 302.397 2.722 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@@H]3CCCCO3)C2)nc(C)[nH+]1 ZINC000623935702 399498738 /nfs/dbraw/zinc/49/87/38/399498738.db2.gz MWHBETDOCHLFTK-PVAVHDDUSA-N 2 1 318.465 2.609 20 0 DFADMP c1cc(C[NH+]2CCCCC2)ccc1CN[C@@H]1CCC[NH2+]CC1 ZINC000422792696 296333780 /nfs/dbraw/zinc/33/37/80/296333780.db2.gz RMPVHJZJIYHVFB-LJQANCHMSA-N 2 1 301.478 2.904 20 0 DFADMP C[NH+](C)CCOc1cccc(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)c1 ZINC000623949519 399501088 /nfs/dbraw/zinc/50/10/88/399501088.db2.gz UROGEDSHXPRCLI-MRXNPFEDSA-N 2 1 305.466 2.912 20 0 DFADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cccc(Cl)c1 ZINC000269254289 207396348 /nfs/dbraw/zinc/39/63/48/207396348.db2.gz JCJPXJZGMJOZTD-CVEARBPZSA-N 2 1 323.868 2.548 20 0 DFADMP CC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000269254289 207396351 /nfs/dbraw/zinc/39/63/51/207396351.db2.gz JCJPXJZGMJOZTD-CVEARBPZSA-N 2 1 323.868 2.548 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NCCC[N@@H+]1CCc2ccccc2C1 ZINC000422805783 296336374 /nfs/dbraw/zinc/33/63/74/296336374.db2.gz JOABGHQIIZPPIG-HKUYNNGSSA-N 2 1 301.478 2.542 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422805783 296336375 /nfs/dbraw/zinc/33/63/75/296336375.db2.gz JOABGHQIIZPPIG-HKUYNNGSSA-N 2 1 301.478 2.542 20 0 DFADMP CC[C@@H](CN[C@H]1CCC[NH2+]CC1)[N@@H+]1CCc2ccccc2C1 ZINC000422805819 296336443 /nfs/dbraw/zinc/33/64/43/296336443.db2.gz JQUSAWRZWHSDMF-OALUTQOASA-N 2 1 301.478 2.555 20 0 DFADMP CC[C@@H](CN[C@H]1CCC[NH2+]CC1)[N@H+]1CCc2ccccc2C1 ZINC000422805819 296336444 /nfs/dbraw/zinc/33/64/44/296336444.db2.gz JQUSAWRZWHSDMF-OALUTQOASA-N 2 1 301.478 2.555 20 0 DFADMP C[N@H+]1CCC[C@@H](CNc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623955855 399503965 /nfs/dbraw/zinc/50/39/65/399503965.db2.gz MJXVBLLXCGSIGW-HNNXBMFYSA-N 2 1 323.444 2.751 20 0 DFADMP C[N@H+]1CCC[C@@H](CNc2nc(N3Cc4ccccc4C3)cc[nH+]2)C1 ZINC000623955855 399503973 /nfs/dbraw/zinc/50/39/73/399503973.db2.gz MJXVBLLXCGSIGW-HNNXBMFYSA-N 2 1 323.444 2.751 20 0 DFADMP C[C@@H](NCCC[N@H+]1CCc2ccccc2C1)c1c[nH+]ccc1N ZINC000422810040 296337201 /nfs/dbraw/zinc/33/72/01/296337201.db2.gz QWFMRCTXMLUUIT-OAHLLOKOSA-N 2 1 310.445 2.593 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422813188 296337823 /nfs/dbraw/zinc/33/78/23/296337823.db2.gz XRUJQFHZDJZWEV-MOPGFXCFSA-N 2 1 301.478 2.684 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1NCCC[N@H+]1CCc2ccccc2C1 ZINC000422813192 296337870 /nfs/dbraw/zinc/33/78/70/296337870.db2.gz XRUJQFHZDJZWEV-RBUKOAKNSA-N 2 1 301.478 2.684 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842163 399506274 /nfs/dbraw/zinc/50/62/74/399506274.db2.gz WKDCCORTFRBNME-WXHSDQCUSA-N 2 1 309.841 2.502 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@@H](C[NH3+])C1 ZINC000631842163 399506278 /nfs/dbraw/zinc/50/62/78/399506278.db2.gz WKDCCORTFRBNME-WXHSDQCUSA-N 2 1 309.841 2.502 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842161 399506537 /nfs/dbraw/zinc/50/65/37/399506537.db2.gz WKDCCORTFRBNME-KGYLQXTDSA-N 2 1 309.841 2.502 20 0 DFADMP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@@H+]1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631842161 399506541 /nfs/dbraw/zinc/50/65/41/399506541.db2.gz WKDCCORTFRBNME-KGYLQXTDSA-N 2 1 309.841 2.502 20 0 DFADMP Cc1ccc([C@H](C[NH2+][C@H](C)[C@H]2CC[NH2+]C2)N2CCCC2)cc1 ZINC000422826670 296339952 /nfs/dbraw/zinc/33/99/52/296339952.db2.gz LRUZYFCXLFENGC-NEWSRXKRSA-N 2 1 301.478 2.720 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@@H]1CCC[NH2+]C1 ZINC000347000712 285000927 /nfs/dbraw/zinc/00/09/27/285000927.db2.gz ZUWWIKSEKGRWBL-PKOBYXMFSA-N 2 1 301.478 2.582 20 0 DFADMP C[C@@H](N[C@H]1CCC[N@@H+](Cc2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000422833298 296341432 /nfs/dbraw/zinc/34/14/32/296341432.db2.gz MHHPGCXAJBCADQ-NZSAHSFTSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@H]1CCC[N@@H+](Cc2cccs2)C1 ZINC000422841295 296342866 /nfs/dbraw/zinc/34/28/66/296342866.db2.gz VOKLGYNWZWRPFU-BFYDXBDKSA-N 2 1 307.507 2.548 20 0 DFADMP Brc1c[nH+]ccc1N1CCC([NH2+]CC2CC2)CC1 ZINC000163962700 532979609 /nfs/dbraw/zinc/97/96/09/532979609.db2.gz SZHMFZIAUOUAIU-UHFFFAOYSA-N 2 1 310.239 2.813 20 0 DFADMP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000422861086 296346571 /nfs/dbraw/zinc/34/65/71/296346571.db2.gz IXQYNHWKWVWIHN-QGZVFWFLSA-N 2 1 306.450 2.642 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCN[C@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422862933 296346702 /nfs/dbraw/zinc/34/67/02/296346702.db2.gz OFQDEEGBKVUJSI-NZSAHSFTSA-N 2 1 301.478 2.944 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCN[C@@H]1CC[NH2+][C@@H](c2ccccc2)C1 ZINC000422862931 296346818 /nfs/dbraw/zinc/34/68/18/296346818.db2.gz OFQDEEGBKVUJSI-BHIYHBOVSA-N 2 1 301.478 2.944 20 0 DFADMP C[C@H]([NH3+])[C@H](Cc1ccccc1)N[C@H]1CC[N@H+](C2CCCC2)C1 ZINC000422865550 296347017 /nfs/dbraw/zinc/34/70/17/296347017.db2.gz YMNFWCDNVMJKJL-IEZWGBDMSA-N 2 1 301.478 2.551 20 0 DFADMP CC[C@H]([NH2+]CCc1ccn(-c2ccccc2)n1)[C@H]1CCCC[NH2+]1 ZINC000422859336 296346267 /nfs/dbraw/zinc/34/62/67/296346267.db2.gz JZFFAZKECJOTHZ-RBUKOAKNSA-N 2 1 312.461 2.925 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422872835 296348026 /nfs/dbraw/zinc/34/80/26/296348026.db2.gz IUXAZCLRSZOTJB-RCCFBDPRSA-N 2 1 318.461 2.640 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)c1 ZINC000422872979 296348119 /nfs/dbraw/zinc/34/81/19/296348119.db2.gz JJKINCHJXFZFOF-BXUZGUMPSA-N 2 1 314.376 2.774 20 0 DFADMP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H](C)[N@H+]1CCC[C@@H](C)C1 ZINC000422870835 296347680 /nfs/dbraw/zinc/34/76/80/296347680.db2.gz ZHUYIRWASDKCLQ-MTNOOBJLSA-N 2 1 303.494 2.655 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCCCC[C@H]2[NH3+])C[N@H+]1Cc1ccccc1 ZINC000422873377 296348470 /nfs/dbraw/zinc/34/84/70/296348470.db2.gz LEEOQSKOFYSKBH-QXCFHYIPSA-N 2 1 301.478 2.899 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCCCC[C@H]2[NH3+])CN1Cc1ccccc1 ZINC000422873377 296348471 /nfs/dbraw/zinc/34/84/71/296348471.db2.gz LEEOQSKOFYSKBH-QXCFHYIPSA-N 2 1 301.478 2.899 20 0 DFADMP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422875196 296348708 /nfs/dbraw/zinc/34/87/08/296348708.db2.gz CEFHALFCCQVDGY-YPMHNXCESA-N 2 1 314.376 2.569 20 0 DFADMP CC[N@@H+](CCN[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1)C1CC1 ZINC000422874769 296348882 /nfs/dbraw/zinc/34/88/82/296348882.db2.gz BBGCMODYNUBBAU-OALUTQOASA-N 2 1 317.477 2.562 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000422891960 296351476 /nfs/dbraw/zinc/35/14/76/296351476.db2.gz WZTHCQNMJNJXHI-KKUMJFAQSA-N 2 1 304.482 2.762 20 0 DFADMP C[C@H](N[C@H]1[C@H](C)C[N@H+](Cc2ccccc2)C[C@@H]1C)[C@H]1CCC[NH2+]1 ZINC000422887061 296350872 /nfs/dbraw/zinc/35/08/72/296350872.db2.gz JXTSWTJYQZGEDB-YQXATGRUSA-N 2 1 315.505 2.873 20 0 DFADMP Cc1[nH+]ccn1-c1ccc(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])cc1F ZINC000422899838 296352704 /nfs/dbraw/zinc/35/27/04/296352704.db2.gz IHECPJKQUJLGSC-ZBFHGGJFSA-N 3 1 302.397 2.537 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@H]2CCC[NH2+]CC2)CC1 ZINC000422904915 296353769 /nfs/dbraw/zinc/35/37/69/296353769.db2.gz YHYXBUSTPXJMJY-SFHVURJKSA-N 2 1 301.478 2.691 20 0 DFADMP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1 ZINC000119823282 195043766 /nfs/dbraw/zinc/04/37/66/195043766.db2.gz GRNTZCUAKWSGDV-PBHICJAKSA-N 2 1 303.450 2.711 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1c(F)cccc1OC(F)F ZINC000422917895 296355558 /nfs/dbraw/zinc/35/55/58/296355558.db2.gz GAAVPBPSKWOPKO-ZWNOBZJWSA-N 2 1 302.340 2.905 20 0 DFADMP [NH3+][C@H]1CCC[C@H]1[NH2+]CCOc1ncc(C(F)(F)F)cc1Cl ZINC000422917742 296355648 /nfs/dbraw/zinc/35/56/48/296355648.db2.gz GSCNJXYQOKQZJS-WDEREUQCSA-N 2 1 323.746 2.602 20 0 DFADMP COc1ccc(Cl)cc1N1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)C1 ZINC000422912834 296354906 /nfs/dbraw/zinc/35/49/06/296354906.db2.gz WZMAQTXYZOGNPF-QEJZJMRPSA-N 2 1 323.868 2.657 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)c1 ZINC000422939211 296358446 /nfs/dbraw/zinc/35/84/46/296358446.db2.gz RARDYFVOBOHIKY-QWRGUYRKSA-N 2 1 313.239 2.545 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000422943965 296358598 /nfs/dbraw/zinc/35/85/98/296358598.db2.gz LTCZBZMIVULPMN-MAUKXSAKSA-N 2 1 324.472 2.968 20 0 DFADMP O=C(CC[N@@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1cccc(Cl)c1 ZINC000631886681 399517997 /nfs/dbraw/zinc/51/79/97/399517997.db2.gz JIIUONDJCDYMND-CJNGLKHVSA-N 2 1 321.852 2.743 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]2C[NH2+]CC[C@@H]21)Nc1cccc(Cl)c1 ZINC000631886681 399518000 /nfs/dbraw/zinc/51/80/00/399518000.db2.gz JIIUONDJCDYMND-CJNGLKHVSA-N 2 1 321.852 2.743 20 0 DFADMP CC(C)[C@@H](CN[C@H](C)[C@H]1CCC[NH2+]1)[N@H+]1CCc2ccccc2C1 ZINC000422947738 296359467 /nfs/dbraw/zinc/35/94/67/296359467.db2.gz YSJOBVSAFFPOLF-NSISKUIASA-N 2 1 315.505 2.799 20 0 DFADMP CC[C@](C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)(C(=O)OC)c1ccccc1 ZINC000602695861 399524646 /nfs/dbraw/zinc/52/46/46/399524646.db2.gz PSJDZTZAPDRRLQ-KVSKMBFKSA-N 2 1 318.461 2.580 20 0 DFADMP CCc1noc(-c2ccc(CC[NH2+][C@@H](C)[C@@H]3CCC[NH2+]3)cc2)n1 ZINC000422958270 296360949 /nfs/dbraw/zinc/36/09/49/296360949.db2.gz OXPUXOYTUMIREY-BBRMVZONSA-N 2 1 314.433 2.572 20 0 DFADMP Cc1c(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000270040936 208096367 /nfs/dbraw/zinc/09/63/67/208096367.db2.gz CHUWXPZJDGYEKX-BEFAXECRSA-N 2 1 312.461 2.871 20 0 DFADMP Cc1c(C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)cnn1C ZINC000270040936 208096373 /nfs/dbraw/zinc/09/63/73/208096373.db2.gz CHUWXPZJDGYEKX-BEFAXECRSA-N 2 1 312.461 2.871 20 0 DFADMP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1cccnc1OC1CCCC1 ZINC000422961117 296361417 /nfs/dbraw/zinc/36/14/17/296361417.db2.gz ANNSEMKOGQSKAI-YOEHRIQHSA-N 2 1 303.450 2.881 20 0 DFADMP COCCOc1ncccc1C[NH2+][C@@H](C)C[C@@H]1CCCCC[NH2+]1 ZINC000422970093 296362944 /nfs/dbraw/zinc/36/29/44/296362944.db2.gz FJJGSYMLRPHOEX-RDJZCZTQSA-N 2 1 321.465 2.507 20 0 DFADMP CCCOc1ncccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422972361 296363495 /nfs/dbraw/zinc/36/34/95/296363495.db2.gz LFVBOWNFPSVGEP-GVDBMIGSSA-N 2 1 303.450 2.881 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422992524 296364814 /nfs/dbraw/zinc/36/48/14/296364814.db2.gz CUZIDBYXTLVEEX-YDZRNGNQSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422992524 296364815 /nfs/dbraw/zinc/36/48/15/296364815.db2.gz CUZIDBYXTLVEEX-YDZRNGNQSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000422992524 296364817 /nfs/dbraw/zinc/36/48/17/296364817.db2.gz CUZIDBYXTLVEEX-YDZRNGNQSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422992523 296365034 /nfs/dbraw/zinc/36/50/34/296365034.db2.gz CUZIDBYXTLVEEX-NCXUSEDFSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422992523 296365036 /nfs/dbraw/zinc/36/50/36/296365036.db2.gz CUZIDBYXTLVEEX-NCXUSEDFSA-N 2 1 307.526 2.865 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000422992523 296365037 /nfs/dbraw/zinc/36/50/37/296365037.db2.gz CUZIDBYXTLVEEX-NCXUSEDFSA-N 2 1 307.526 2.865 20 0 DFADMP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1c[nH]c2ncccc12 ZINC000423003861 296366219 /nfs/dbraw/zinc/36/62/19/296366219.db2.gz NKSNLFUKNFFCCL-KBXCAEBGSA-N 2 1 308.429 2.654 20 0 DFADMP CC[NH+](CC)CCC[NH2+][C@@H](C)c1cnc2cc(C)nn2c1C ZINC000120160453 195109063 /nfs/dbraw/zinc/10/90/63/195109063.db2.gz XZQLOECNUXMWLA-AWEZNQCLSA-N 2 1 303.454 2.729 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+](C)Cc1ccco1)C1C[NH2+]C1 ZINC000423011103 296367287 /nfs/dbraw/zinc/36/72/87/296367287.db2.gz YZXIKVQUQPDJOY-HNNXBMFYSA-N 3 1 313.445 2.609 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+][C@H]2CNCC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423006557 296366837 /nfs/dbraw/zinc/36/68/37/296366837.db2.gz VTDGRWSYWSYCQU-UMGGQSCQSA-N 2 1 315.505 2.875 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C[N@@H+]1Cc1ccccc1 ZINC000423006557 296366838 /nfs/dbraw/zinc/36/68/38/296366838.db2.gz VTDGRWSYWSYCQU-UMGGQSCQSA-N 3 1 315.505 2.875 20 0 DFADMP C[C@H]1C[C@H](CC[NH2+][C@H]2C[NH2+]CC[C@H]2C)C[N@H+]1Cc1ccccc1 ZINC000423006557 296366839 /nfs/dbraw/zinc/36/68/39/296366839.db2.gz VTDGRWSYWSYCQU-UMGGQSCQSA-N 3 1 315.505 2.875 20 0 DFADMP CC[C@@H]([NH2+]C[C@@H](C)c1nc(-c2ccccc2)no1)[C@@H]1CCC[NH2+]1 ZINC000423018424 296368498 /nfs/dbraw/zinc/36/84/98/296368498.db2.gz YWZIOCGQWNBVLG-BMFZPTHFSA-N 2 1 314.433 2.960 20 0 DFADMP CC[C@H]([NH2+][C@@H]1CC[NH2+][C@H](c2ccccc2)C1)[C@@H](O)C(F)(F)F ZINC000423027913 296369755 /nfs/dbraw/zinc/36/97/55/296369755.db2.gz RVRZALCGHLQLOX-CBBWQLFWSA-N 2 1 316.367 2.771 20 0 DFADMP C[NH+]1CCC(C)(C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000423047037 296371625 /nfs/dbraw/zinc/37/16/25/296371625.db2.gz UMYIVEZOOYHCEO-ROUUACIJSA-N 3 1 301.478 2.801 20 0 DFADMP [NH3+][C@@H]1CCC[C@@H]1[NH2+]Cc1cc2cc(Br)ccc2[nH]1 ZINC000423046014 296371682 /nfs/dbraw/zinc/37/16/82/296371682.db2.gz DTTRQEDXZMZAFN-OCCSQVGLSA-N 2 1 308.223 2.900 20 0 DFADMP C[C@H]([NH2+]C[C@]1(O)CCC[C@H](C(F)(F)F)C1)c1c[nH+]ccc1N ZINC000423055858 296372755 /nfs/dbraw/zinc/37/27/55/296372755.db2.gz DTGBYKZGJPYTON-MJVIPROJSA-N 2 1 317.355 2.628 20 0 DFADMP C[N@@H+](Cc1ccccc1)[C@H](CN[C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423048820 296372189 /nfs/dbraw/zinc/37/21/89/296372189.db2.gz AEWJQHNVHJTUHH-CEXWTWQISA-N 2 1 301.478 2.614 20 0 DFADMP CN(Cc1ccccc1)[C@H](C[NH2+][C@H]1CCC[C@@H]1C[NH3+])C1CC1 ZINC000423048820 296372191 /nfs/dbraw/zinc/37/21/91/296372191.db2.gz AEWJQHNVHJTUHH-CEXWTWQISA-N 2 1 301.478 2.614 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000159281725 197342253 /nfs/dbraw/zinc/34/22/53/197342253.db2.gz JXNCKPMTKWYFJK-OAHLLOKOSA-N 2 1 306.450 2.847 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC[N@H+]1C ZINC000159167874 197331799 /nfs/dbraw/zinc/33/17/99/197331799.db2.gz JZTBCPQLCQKPMU-GXTWGEPZSA-N 2 1 324.852 2.726 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@@H]1NC[C@]1(C)CCC[N@H+]1Cc1ccccc1 ZINC000423064871 296373989 /nfs/dbraw/zinc/37/39/89/296373989.db2.gz SHMVDDHGECCJTF-NEWSRXKRSA-N 2 1 301.478 2.629 20 0 DFADMP Cc1cccc2c1OCC[C@H]2[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000423075467 296375363 /nfs/dbraw/zinc/37/53/63/296375363.db2.gz WWVFFXCDMOQWNX-DDBAPUKQSA-N 2 1 316.445 2.565 20 0 DFADMP CC[C@@H](NCC[N@H+](CC)CCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423070202 296374860 /nfs/dbraw/zinc/37/48/60/296374860.db2.gz FSNROUOBVVNJIX-KGLIPLIRSA-N 2 1 309.420 2.771 20 0 DFADMP CC[C@@H](NCC[N@@H+](CC)CCC(F)(F)F)[C@@H]1CCCC[NH2+]1 ZINC000423070202 296374862 /nfs/dbraw/zinc/37/48/62/296374862.db2.gz FSNROUOBVVNJIX-KGLIPLIRSA-N 2 1 309.420 2.771 20 0 DFADMP C[C@H]([NH2+]C[C@@]1(Cc2ccc(F)cc2)CCC[C@@H]1O)[C@H]1CCC[NH2+]1 ZINC000423076898 296375486 /nfs/dbraw/zinc/37/54/86/296375486.db2.gz SBHVQSKJWTYARC-VLQPXKRTSA-N 2 1 320.452 2.630 20 0 DFADMP CC[C@H]([NH2+]C[C@@](C)(Cc1ccccc1)[C@H](C)O)[C@@H]1CCC[NH2+]1 ZINC000423079880 296375901 /nfs/dbraw/zinc/37/59/01/296375901.db2.gz RJMUJMRYHDOZOH-DSLXNQLJSA-N 2 1 304.478 2.736 20 0 DFADMP C[C@H]([NH2+]CC1(CO)CC(c2ccccc2)C1)[C@H]1CCCC[NH2+]1 ZINC000423087229 296376624 /nfs/dbraw/zinc/37/66/24/296376624.db2.gz NKNPCMJLDIXUQT-WEOZKBJRSA-N 2 1 302.462 2.663 20 0 DFADMP C[C@H](CCc1cccc(F)c1)[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000272968752 210352608 /nfs/dbraw/zinc/35/26/08/210352608.db2.gz NVBODAJWBVKJFU-OAHLLOKOSA-N 2 1 308.441 2.535 20 0 DFADMP C[C@@H](NC[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1c[nH+]ccc1N ZINC000423086751 296376682 /nfs/dbraw/zinc/37/66/82/296376682.db2.gz NYGKZMXBLKMSQB-NVXWUHKLSA-N 3 1 310.445 2.667 20 0 DFADMP CCN(CC)[C@H](C)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423086676 296376787 /nfs/dbraw/zinc/37/67/87/296376787.db2.gz NRHKPEJDSIETJK-SUMDDJOVSA-N 2 1 317.477 2.562 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000158779771 197300701 /nfs/dbraw/zinc/30/07/01/197300701.db2.gz QOOKXQYMRZFHIO-LPHOPBHVSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)cc1 ZINC000158779771 197300703 /nfs/dbraw/zinc/30/07/03/197300703.db2.gz QOOKXQYMRZFHIO-LPHOPBHVSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[NH+]2CC[C@H]3[C@@H](CCC[N@H+]3C)C2)cc1 ZINC000158779771 197300704 /nfs/dbraw/zinc/30/07/04/197300704.db2.gz QOOKXQYMRZFHIO-LPHOPBHVSA-N 2 1 318.461 2.880 20 0 DFADMP CSc1ccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000423092714 296377538 /nfs/dbraw/zinc/37/75/38/296377538.db2.gz DCCAVPYXEVLVDG-RCCFBDPRSA-N 2 1 320.502 2.698 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])cc1 ZINC000423099976 296378380 /nfs/dbraw/zinc/37/83/80/296378380.db2.gz GAYBOIPHENKINQ-QZTJIDSGSA-N 2 1 306.450 2.852 20 0 DFADMP C[C@H]([NH2+][C@H]1CCC[C@H]1Oc1cc(F)cc(F)c1)[C@@H]1CCC[NH2+]1 ZINC000423103754 296378580 /nfs/dbraw/zinc/37/85/80/296378580.db2.gz GLXJDBNWRYXTNW-GNCDUGFZSA-N 2 1 310.388 2.995 20 0 DFADMP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(Cl)c1)C1C[NH2+]C1 ZINC000423102267 296378743 /nfs/dbraw/zinc/37/87/43/296378743.db2.gz DSYFKLOZXZTOSQ-XPTSAGLGSA-N 2 1 303.233 2.614 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2ccccc2CO)CC1 ZINC000347692519 285133345 /nfs/dbraw/zinc/13/33/45/285133345.db2.gz XFAZKOVHTUHWBI-FQEVSTJZSA-N 2 1 316.489 2.918 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCCC[N@H+](C)C3)c(C)n2n1 ZINC000624122007 399560964 /nfs/dbraw/zinc/56/09/64/399560964.db2.gz HQOFCGVSCHPIMC-ZBFHGGJFSA-N 2 1 315.465 2.729 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCCC[N@@H+](C)C3)c(C)n2n1 ZINC000624122007 399560970 /nfs/dbraw/zinc/56/09/70/399560970.db2.gz HQOFCGVSCHPIMC-ZBFHGGJFSA-N 2 1 315.465 2.729 20 0 DFADMP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C[C@@H]1CCCC[N@@H+](C)C1 ZINC000624121626 399561017 /nfs/dbraw/zinc/56/10/17/399561017.db2.gz ZCCQZLYNLLSNEA-SJORKVTESA-N 2 1 317.477 2.750 20 0 DFADMP Cn1cncc1CC[N@@H+](Cc1ccccc1)C1(CO)CCCC1 ZINC000625456039 399561488 /nfs/dbraw/zinc/56/14/88/399561488.db2.gz WCJPFJVKNWGCNZ-UHFFFAOYSA-N 2 1 313.445 2.770 20 0 DFADMP COc1ccc([C@H]([NH2+]C[C@@H]2CCOC[C@@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000423112884 296380104 /nfs/dbraw/zinc/38/01/04/296380104.db2.gz SPYUDQKMBXUGHV-WQCNXYOZSA-N 2 1 318.461 2.751 20 0 DFADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000423123793 296381322 /nfs/dbraw/zinc/38/13/22/296381322.db2.gz NIXACAJGDMFMNP-BZUAXINKSA-N 2 1 302.466 2.548 20 0 DFADMP CN(C)c1cccnc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000423123794 296380998 /nfs/dbraw/zinc/38/09/98/296380998.db2.gz NIXACAJGDMFMNP-HRCADAONSA-N 2 1 302.466 2.548 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC[C@@H]1CCCC[N@@H+](Cc2ccccc2)C1 ZINC000423133774 296382716 /nfs/dbraw/zinc/38/27/16/296382716.db2.gz CWFYCZQFSRZXPC-YZGWKJHDSA-N 2 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CCc1cnc(SC2CCCC2)nc1)[C@@H]1CCC[NH2+]1 ZINC000423140067 296383298 /nfs/dbraw/zinc/38/32/98/296383298.db2.gz XBLMDIAXCPNWOF-BBRMVZONSA-N 2 1 320.506 2.784 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CCN(c2ccccc2F)C1)c1c[nH+]ccc1N ZINC000423133810 296382493 /nfs/dbraw/zinc/38/24/93/296382493.db2.gz DAIXYOSJIKUYPC-KBPBESRZSA-N 2 1 314.408 2.810 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158473795 197276109 /nfs/dbraw/zinc/27/61/09/197276109.db2.gz KTBNAJJIGHLJBX-HIFRSBDPSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[N@H+]1CC[C@H]2[C@H](CCC[NH+]2C)C1 ZINC000158473795 197276111 /nfs/dbraw/zinc/27/61/11/197276111.db2.gz KTBNAJJIGHLJBX-HIFRSBDPSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000158473795 197276112 /nfs/dbraw/zinc/27/61/12/197276112.db2.gz KTBNAJJIGHLJBX-HIFRSBDPSA-N 2 1 320.433 2.545 20 0 DFADMP CCc1oc(C(=O)OC)cc1C[NH+]1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000158473795 197276114 /nfs/dbraw/zinc/27/61/14/197276114.db2.gz KTBNAJJIGHLJBX-HIFRSBDPSA-N 2 1 320.433 2.545 20 0 DFADMP CSc1ccc([C@@H](CN[C@H]2CCC[NH2+]CC2)[NH+](C)C)cc1 ZINC000423143151 296384123 /nfs/dbraw/zinc/38/41/23/296384123.db2.gz CLZRXAPKQXKWGO-DOTOQJQBSA-N 2 1 307.507 2.743 20 0 DFADMP CC[N@@H+]1C[C@@H](C)[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728290 285148360 /nfs/dbraw/zinc/14/83/60/285148360.db2.gz VFOYZVCZKOPSKL-APWZRJJASA-N 2 1 301.478 2.712 20 0 DFADMP CC[N@H+]1C[C@@H](C)[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)C1 ZINC000347728290 285148364 /nfs/dbraw/zinc/14/83/64/285148364.db2.gz VFOYZVCZKOPSKL-APWZRJJASA-N 2 1 301.478 2.712 20 0 DFADMP Fc1cccc2c1CCC[C@@H]2[NH2+][C@@H]1CCC[C@@H]1[C@H]1COCC[NH2+]1 ZINC000423142837 296384366 /nfs/dbraw/zinc/38/43/66/296384366.db2.gz BJNINGPUOMEINR-GDAAHCPNSA-N 2 1 318.436 2.950 20 0 DFADMP FCC1(C[NH2+][C@@H]2CC[NH2+][C@H](c3ccccc3)C2)CCOCC1 ZINC000423153410 296385905 /nfs/dbraw/zinc/38/59/05/296385905.db2.gz NIYKDORFAOVPEQ-SJORKVTESA-N 2 1 306.425 2.836 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@@H]1CCN[C@@H](c2ccccc2)C1)C1CC1 ZINC000423161885 296387054 /nfs/dbraw/zinc/38/70/54/296387054.db2.gz JXEGSQCZSBURJI-IEBWSBKVSA-N 2 1 301.478 2.944 20 0 DFADMP C[N@H+](CCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC1 ZINC000423161885 296387056 /nfs/dbraw/zinc/38/70/56/296387056.db2.gz JXEGSQCZSBURJI-IEBWSBKVSA-N 3 1 301.478 2.944 20 0 DFADMP C[N@@H+](CCCC[NH2+][C@@H]1CC[NH2+][C@@H](c2ccccc2)C1)C1CC1 ZINC000423161885 296387057 /nfs/dbraw/zinc/38/70/57/296387057.db2.gz JXEGSQCZSBURJI-IEBWSBKVSA-N 3 1 301.478 2.944 20 0 DFADMP COc1ccc([C@H](CO)C[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1 ZINC000423171317 296387667 /nfs/dbraw/zinc/38/76/67/296387667.db2.gz ODKOOYABUBCVST-GDIGMMSISA-N 2 1 312.413 2.506 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NCCCCC[NH+]1CCCCC1 ZINC000347753169 285159686 /nfs/dbraw/zinc/15/96/86/285159686.db2.gz OSFAATDYQSXXMM-QGZVFWFLSA-N 2 1 309.498 2.633 20 0 DFADMP CCC(=O)CCC[NH+]1CCC(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000347753711 285160174 /nfs/dbraw/zinc/16/01/74/285160174.db2.gz USPRBYCRSKFINJ-IYBDPMFKSA-N 2 1 310.482 2.567 20 0 DFADMP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CCC[NH2+]Cc1cccnc1 ZINC000423186596 296389947 /nfs/dbraw/zinc/38/99/47/296389947.db2.gz LDBQTNAWHJVCDD-DLBZAZTESA-N 2 1 305.466 2.745 20 0 DFADMP c1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423188310 296390166 /nfs/dbraw/zinc/39/01/66/296390166.db2.gz LODFVJHFLRMHNH-FUMNGEBKSA-N 3 1 313.489 2.771 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1Cl ZINC000157559252 197197615 /nfs/dbraw/zinc/19/76/15/197197615.db2.gz LRWJQFVKDUXVDY-OQUILHJVSA-N 2 1 310.869 2.866 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[NH2+]Cc2cccnc2)[C@@H](C)[C@H]1OC ZINC000423192734 296390826 /nfs/dbraw/zinc/39/08/26/296390826.db2.gz VYLVWKVEDHKMOU-KBAYOESNSA-N 2 1 319.493 2.991 20 0 DFADMP C[NH2+]CCC[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423201294 296392024 /nfs/dbraw/zinc/39/20/24/296392024.db2.gz OLSYUCXBOMUOAU-CYBMUJFWSA-N 2 1 301.203 2.775 20 0 DFADMP CO[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563559 399588581 /nfs/dbraw/zinc/58/85/81/399588581.db2.gz SZCHENSCTFIJBK-MSOLQXFVSA-N 2 1 324.440 2.556 20 0 DFADMP CO[C@@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563559 399588582 /nfs/dbraw/zinc/58/85/82/399588582.db2.gz SZCHENSCTFIJBK-MSOLQXFVSA-N 2 1 324.440 2.556 20 0 DFADMP CO[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563560 399588591 /nfs/dbraw/zinc/58/85/91/399588591.db2.gz SZCHENSCTFIJBK-QZTJIDSGSA-N 2 1 324.440 2.556 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC000625563560 399588597 /nfs/dbraw/zinc/58/85/97/399588597.db2.gz SZCHENSCTFIJBK-QZTJIDSGSA-N 2 1 324.440 2.556 20 0 DFADMP CC(C)c1ccc([C@H]([NH3+])CN[C@H]2C[N@H+](C3CC3)C[C@@H]2C)cc1 ZINC000423238767 296395882 /nfs/dbraw/zinc/39/58/82/296395882.db2.gz JHKCIGJVCFAMEY-KYNGSXCRSA-N 2 1 301.478 2.882 20 0 DFADMP COc1ccc(C[N@@H+](C)CC2CC[NH+](C)CC2)c(C)c1OC ZINC000347811152 285185472 /nfs/dbraw/zinc/18/54/72/285185472.db2.gz KHNQXFTZFKFLDK-UHFFFAOYSA-N 2 1 306.450 2.786 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC([NH2+]C[C@@H]2CCC[NH2+]2)CC1 ZINC000423234604 296395218 /nfs/dbraw/zinc/39/52/18/296395218.db2.gz MCOHKDRMYCFWTF-XBMUEBEBSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@H+](Cc1ccccc1)C1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000423234604 296395220 /nfs/dbraw/zinc/39/52/20/296395220.db2.gz MCOHKDRMYCFWTF-XBMUEBEBSA-N 2 1 301.478 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)C1CCC(NC[C@@H]2CCC[NH2+]2)CC1 ZINC000423234604 296395222 /nfs/dbraw/zinc/39/52/22/296395222.db2.gz MCOHKDRMYCFWTF-XBMUEBEBSA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1C[C@@H](NC[C@H]([NH3+])c2ccccc2)C[N@H+]1Cc1ccccc1 ZINC000423235122 296395386 /nfs/dbraw/zinc/39/53/86/296395386.db2.gz GJLJCEYOUOJUAQ-AHRSYUTCSA-N 2 1 309.457 2.939 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccn2)CC[C@@H]1NC[C@@H]([NH3+])c1ccccc1 ZINC000423236012 296395499 /nfs/dbraw/zinc/39/54/99/296395499.db2.gz HBXXSYCYJBIQFX-AHRSYUTCSA-N 2 1 324.472 2.582 20 0 DFADMP CC(C)C[C@@H](CN)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263468 296398265 /nfs/dbraw/zinc/39/82/65/296398265.db2.gz OKSFIMDZFIVOLT-WBVHZDCISA-N 2 1 307.482 2.651 20 0 DFADMP CC(C)C[C@@H](C[NH3+])[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000423263468 296398266 /nfs/dbraw/zinc/39/82/66/296398266.db2.gz OKSFIMDZFIVOLT-WBVHZDCISA-N 3 1 307.482 2.651 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261367 296397909 /nfs/dbraw/zinc/39/79/09/296397909.db2.gz RZBPXHOWXHEVAQ-QWFCFKBJSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000423261367 296397911 /nfs/dbraw/zinc/39/79/11/296397911.db2.gz RZBPXHOWXHEVAQ-QWFCFKBJSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000423261226 296397938 /nfs/dbraw/zinc/39/79/38/296397938.db2.gz RUXCKKGAEVMOAW-CMKODMSKSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000423261226 296397940 /nfs/dbraw/zinc/39/79/40/296397940.db2.gz RUXCKKGAEVMOAW-CMKODMSKSA-N 2 1 315.505 2.876 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000423262638 296398064 /nfs/dbraw/zinc/39/80/64/296398064.db2.gz NAIZCOCYEGUMNA-DOTOQJQBSA-N 2 1 305.466 2.547 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@@H](C[NH3+])C1CCCCC1 ZINC000423272102 296399249 /nfs/dbraw/zinc/39/92/49/296399249.db2.gz YKMCRGUWXCNGHJ-PBHICJAKSA-N 2 1 303.450 2.901 20 0 DFADMP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC1 ZINC000423266891 296398565 /nfs/dbraw/zinc/39/85/65/296398565.db2.gz DWOTVROQHUMRDZ-YVWKXTFCSA-N 3 1 315.505 2.799 20 0 DFADMP CC(C)C[C@H](C[NH3+])N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000423269679 296398921 /nfs/dbraw/zinc/39/89/21/296398921.db2.gz WDZWZPLBOAOYBV-MTQWCTHYSA-N 2 1 315.505 2.860 20 0 DFADMP CCC([NH3+])(CC)C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000423282876 296400745 /nfs/dbraw/zinc/40/07/45/296400745.db2.gz DFIVHCQWHNSWGJ-HNNXBMFYSA-N 3 1 307.482 2.795 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000156671189 197132163 /nfs/dbraw/zinc/13/21/63/197132163.db2.gz LEGVVWGNKPGIKF-VYDXJSESSA-N 2 1 315.461 2.947 20 0 DFADMP C[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)c1cccc(N2CCCC2=O)c1 ZINC000156671189 197132165 /nfs/dbraw/zinc/13/21/65/197132165.db2.gz LEGVVWGNKPGIKF-VYDXJSESSA-N 2 1 315.461 2.947 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423277899 296399755 /nfs/dbraw/zinc/39/97/55/296399755.db2.gz QKGFBAQTHZPWJO-NZSAHSFTSA-N 3 1 301.478 2.801 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C[C@@H]1c1ccccc1 ZINC000423277899 296399756 /nfs/dbraw/zinc/39/97/56/296399756.db2.gz QKGFBAQTHZPWJO-NZSAHSFTSA-N 3 1 301.478 2.801 20 0 DFADMP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+][C@H](C[NH3+])C2CC2)cc1 ZINC000423277455 296399826 /nfs/dbraw/zinc/39/98/26/296399826.db2.gz OCUMQFLIRHNWRP-BLLLJJGKSA-N 2 1 304.438 2.604 20 0 DFADMP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+][C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000629411169 399596524 /nfs/dbraw/zinc/59/65/24/399596524.db2.gz IJQWDWPNSCKKQD-FVQBIDKESA-N 2 1 306.450 2.755 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)[C@H](OC)c2ccc(OC)cc2)CC1 ZINC000271655223 209099249 /nfs/dbraw/zinc/09/92/49/209099249.db2.gz CEWTWDVZUWOIAK-KSSFIOAISA-N 2 1 306.450 2.845 20 0 DFADMP C[C@H]([NH2+]CC1C[NH2+]C1)c1ccc(OC(F)F)cc1OC(F)F ZINC000423303455 296402442 /nfs/dbraw/zinc/40/24/42/296402442.db2.gz LONXKSJQZFIVHG-QMMMGPOBSA-N 2 1 322.302 2.759 20 0 DFADMP CN(CC[C@H]1CCCC[N@@H+]1C)Cc1ncc(C[NH+](C)C)s1 ZINC000347861725 285213441 /nfs/dbraw/zinc/21/34/41/285213441.db2.gz UQSWCMGUDBCULG-CQSZACIVSA-N 2 1 310.511 2.511 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)Cc1ncc(C[NH+](C)C)s1 ZINC000347861725 285213446 /nfs/dbraw/zinc/21/34/46/285213446.db2.gz UQSWCMGUDBCULG-CQSZACIVSA-N 2 1 310.511 2.511 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[N@@H+]2CCOC[C@H]2C1 ZINC000347889434 285226751 /nfs/dbraw/zinc/22/67/51/285226751.db2.gz AOAMCWMFXJYOIP-OAHLLOKOSA-N 2 1 311.429 2.626 20 0 DFADMP CCc1c(C)[nH+]c2ccccc2c1N1CC[N@H+]2CCOC[C@H]2C1 ZINC000347889434 285226753 /nfs/dbraw/zinc/22/67/53/285226753.db2.gz AOAMCWMFXJYOIP-OAHLLOKOSA-N 2 1 311.429 2.626 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H](C)[C@@H](C)c2ccc(OC)cc2)CC1 ZINC000154862361 197000106 /nfs/dbraw/zinc/00/01/06/197000106.db2.gz CXGWUJDNYXETIT-CVEARBPZSA-N 2 1 320.477 2.888 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCC[C@H]([NH3+])C2)nnn1-c1ccc(C)cc1 ZINC000423375081 296410281 /nfs/dbraw/zinc/41/02/81/296410281.db2.gz IRLYYDXUIVZYSE-CWRNSKLLSA-N 2 1 313.449 2.805 20 0 DFADMP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]1 ZINC000423377557 296410301 /nfs/dbraw/zinc/41/03/01/296410301.db2.gz YYMOEZAFNKARKE-QAPCUYQASA-N 2 1 310.445 2.981 20 0 DFADMP CC(C)(C)[C@H]([NH2+]C[C@H]1C[NH2+]C[C@@H]1O)c1cc2ccccc2o1 ZINC000423401634 296412649 /nfs/dbraw/zinc/41/26/49/296412649.db2.gz GJFDOEBDBLAHMI-JKIFEVAISA-N 2 1 302.418 2.690 20 0 DFADMP COC[C@]1(C[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCC[NH2+]1 ZINC000423413073 296414597 /nfs/dbraw/zinc/41/45/97/296414597.db2.gz JPTXGVVAKUNTOE-YTQUADARSA-N 2 1 318.461 2.513 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cscc1C ZINC000267290400 285250228 /nfs/dbraw/zinc/25/02/28/285250228.db2.gz ZOWWEYNXGKHUHR-OAHLLOKOSA-N 2 1 323.506 2.545 20 0 DFADMP C[C@H](CCCO)C[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000294805488 224233198 /nfs/dbraw/zinc/23/31/98/224233198.db2.gz NFZFHZBMOXUXME-MRXNPFEDSA-N 2 1 322.468 2.831 20 0 DFADMP CC[C@@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc(Br)c1 ZINC000423437024 296416668 /nfs/dbraw/zinc/41/66/68/296416668.db2.gz QFSULKNFCRHNFT-RQJABVFESA-N 2 1 313.214 2.847 20 0 DFADMP CC[N@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)c1cc(C)cs1 ZINC000294371233 285249641 /nfs/dbraw/zinc/24/96/41/285249641.db2.gz BHZABAQVGVIMLO-OAHLLOKOSA-N 2 1 323.506 2.545 20 0 DFADMP C[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)c1ccc(F)cc1N(C)C ZINC000423468095 296418838 /nfs/dbraw/zinc/41/88/38/296418838.db2.gz FJVSPFBAGVGXQO-NWDGAFQWSA-N 2 1 315.383 2.787 20 0 DFADMP C[C@H]([NH2+]CCC(=O)N1CCCCC1)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000347940094 285258665 /nfs/dbraw/zinc/25/86/65/285258665.db2.gz XENLFRSMQURWND-DLBZAZTESA-N 2 1 321.509 2.632 20 0 DFADMP Cc1ccc2[nH]c3c(c2c1)CCC[C@H]3[NH2+]C[C@@H]1C[NH2+]CCCO1 ZINC000423496773 296422241 /nfs/dbraw/zinc/42/22/41/296422241.db2.gz XQDGFWRUCYPPIV-KBXCAEBGSA-N 2 1 313.445 2.822 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+]C[C@@H]2CC[NH2+]CC2(F)F)c1 ZINC000423490863 296421647 /nfs/dbraw/zinc/42/16/47/296421647.db2.gz ZHNDUYWTPVDXNC-RYUDHWBXSA-N 2 1 314.376 2.599 20 0 DFADMP COc1ccc2c(c1F)CC[C@@H]2[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000423490793 296421663 /nfs/dbraw/zinc/42/16/63/296421663.db2.gz ZEXAJNVBWDSWDP-GWCFXTLKSA-N 2 1 314.351 2.656 20 0 DFADMP COC(=O)C[C@@H]([NH2+]CC[C@@H]1CCCC[N@H+]1C)C1CCCCC1 ZINC000347953297 285266623 /nfs/dbraw/zinc/26/66/23/285266623.db2.gz GALXKZIVLGJXDK-DLBZAZTESA-N 2 1 310.482 2.962 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCCNC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496072623 300015560 /nfs/dbraw/zinc/01/55/60/300015560.db2.gz SBBGKGNCBXVACF-HUUCEWRRSA-N 2 1 313.486 2.563 20 0 DFADMP OC[C@@H]1CCC[N@H+]1CCCC[NH2+][C@H]1CCCNc2ccccc21 ZINC000248994767 285273860 /nfs/dbraw/zinc/27/38/60/285273860.db2.gz OOTONAPVHLGERK-LPHOPBHVSA-N 2 1 317.477 2.760 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000120710710 195221416 /nfs/dbraw/zinc/22/14/16/195221416.db2.gz HCKCVZZFJYZGEE-AWEZNQCLSA-N 2 1 315.465 2.871 20 0 DFADMP NC(=O)[C@@H]1CCC[N@@H+](CCC[NH2+]CCCC2CCCCC2)C1 ZINC000348006863 285295015 /nfs/dbraw/zinc/29/50/15/285295015.db2.gz HSHXBEXQORAOHA-QGZVFWFLSA-N 2 1 309.498 2.524 20 0 DFADMP CN(C)C(=O)[C@H]1CCC[N@@H+]1CCC[NH2+]CCCC1CCCCC1 ZINC000348009000 285296243 /nfs/dbraw/zinc/29/62/43/285296243.db2.gz QLSJFFKLSVYORT-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP CN(C)C(=O)[C@H]1CCC[N@H+]1CCC[NH2+]CCCC1CCCCC1 ZINC000348009000 285296248 /nfs/dbraw/zinc/29/62/48/285296248.db2.gz QLSJFFKLSVYORT-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1cc([C@H]([NH2+]C[C@H](O)C[N@@H+](C)C2CC2)C2CC2)ccc1F ZINC000289482229 221006355 /nfs/dbraw/zinc/00/63/55/221006355.db2.gz IOAQWYZLQKEAJO-FUHWJXTLSA-N 2 1 306.425 2.630 20 0 DFADMP Cc1cc([C@H]([NH2+]C[C@H](O)C[N@H+](C)C2CC2)C2CC2)ccc1F ZINC000289482229 221006358 /nfs/dbraw/zinc/00/63/58/221006358.db2.gz IOAQWYZLQKEAJO-FUHWJXTLSA-N 2 1 306.425 2.630 20 0 DFADMP CCn1cc(C[N@@H+](CC)Cc2ccc(C[NH+](C)C)cc2)cn1 ZINC000289507104 221026995 /nfs/dbraw/zinc/02/69/95/221026995.db2.gz UHIBGNVFXGGGJS-UHFFFAOYSA-N 2 1 300.450 2.987 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1)C1CC1 ZINC000289499050 221020946 /nfs/dbraw/zinc/02/09/46/221020946.db2.gz KIMHCQNGQXRDLK-GOSISDBHSA-N 2 1 302.462 2.587 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C1(Cc2ccccc2)CCCC1)C1CC1 ZINC000289499050 221020949 /nfs/dbraw/zinc/02/09/49/221020949.db2.gz KIMHCQNGQXRDLK-GOSISDBHSA-N 2 1 302.462 2.587 20 0 DFADMP COCCC[NH+]1CCC([NH2+][C@@H](C)c2ccc(OC)c(O)c2)CC1 ZINC000289545013 221054821 /nfs/dbraw/zinc/05/48/21/221054821.db2.gz BVIWAWYJIUVCNT-AWEZNQCLSA-N 2 1 322.449 2.552 20 0 DFADMP O[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)C[NH+]1CCCC1 ZINC000298222285 285305715 /nfs/dbraw/zinc/30/57/15/285305715.db2.gz SHNHMDXQRJJZHO-IRXDYDNUSA-N 2 1 308.853 2.837 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](C)NC(=O)Nc1ccccc1CC[NH+](C)C ZINC000289574938 221077565 /nfs/dbraw/zinc/07/75/65/221077565.db2.gz DLONDVDOIVISEP-OAHLLOKOSA-N 2 1 320.481 2.641 20 0 DFADMP c1ccc(C[N@H+]2CCCC[C@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000289610607 221101601 /nfs/dbraw/zinc/10/16/01/221101601.db2.gz OCQKTHBPYWUYKV-GOSISDBHSA-N 2 1 310.445 2.869 20 0 DFADMP c1ccc(C[N@@H+]2CCCC[C@H](C[NH2+]Cc3cncnc3)C2)cc1 ZINC000289610607 221101604 /nfs/dbraw/zinc/10/16/04/221101604.db2.gz OCQKTHBPYWUYKV-GOSISDBHSA-N 2 1 310.445 2.869 20 0 DFADMP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](n1cccn1)C(F)(F)F ZINC000629513301 399630450 /nfs/dbraw/zinc/63/04/50/399630450.db2.gz FUCBVYHEFXGRMF-MCIONIFRSA-N 2 1 318.387 2.887 20 0 DFADMP C[C@@H](C[C@H](O)c1ccc(F)cc1)[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000297613782 227371598 /nfs/dbraw/zinc/37/15/98/227371598.db2.gz KSXRHGWXGBASAK-UGSOOPFHSA-N 2 1 306.425 2.854 20 0 DFADMP CC(C)[C@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000625762361 399633766 /nfs/dbraw/zinc/63/37/66/399633766.db2.gz UZMCWRKQAZVFSV-VQTJNVASSA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[C@H]1CN(C[C@@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000625762361 399633772 /nfs/dbraw/zinc/63/37/72/399633772.db2.gz UZMCWRKQAZVFSV-VQTJNVASSA-N 2 1 315.505 2.923 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000624309685 399633998 /nfs/dbraw/zinc/63/39/98/399633998.db2.gz UPTBASFUMLDXDJ-GDAAHCPNSA-N 2 1 302.462 2.912 20 0 DFADMP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000624309685 399634001 /nfs/dbraw/zinc/63/40/01/399634001.db2.gz UPTBASFUMLDXDJ-GDAAHCPNSA-N 2 1 302.462 2.912 20 0 DFADMP CC(C)[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC000625762362 399633994 /nfs/dbraw/zinc/63/39/94/399633994.db2.gz UZMCWRKQAZVFSV-WOJBJXKFSA-N 2 1 315.505 2.923 20 0 DFADMP CC(C)[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+]1Cc1ccccc1 ZINC000625762362 399633999 /nfs/dbraw/zinc/63/39/99/399633999.db2.gz UZMCWRKQAZVFSV-WOJBJXKFSA-N 2 1 315.505 2.923 20 0 DFADMP Cc1cc2c(cc1C)[C@H]([NH2+]CC1([NH3+])CCOCC1)CCCO2 ZINC000629520565 399634167 /nfs/dbraw/zinc/63/41/67/399634167.db2.gz HAWHPOINZQUKEE-MRXNPFEDSA-N 2 1 304.434 2.615 20 0 DFADMP [NH3+]C1(C[NH2+][C@@H]2CCSc3c(Cl)cccc32)CCOCC1 ZINC000629521053 399634274 /nfs/dbraw/zinc/63/42/74/399634274.db2.gz KXKBOLIDPZSQIE-CYBMUJFWSA-N 2 1 312.866 2.974 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289947632 221334820 /nfs/dbraw/zinc/33/48/20/221334820.db2.gz YNAFHUHLHYSRID-SJPCQFCGSA-N 2 1 311.433 2.529 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000289947632 221334823 /nfs/dbraw/zinc/33/48/23/221334823.db2.gz YNAFHUHLHYSRID-SJPCQFCGSA-N 2 1 311.433 2.529 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000289947632 221334825 /nfs/dbraw/zinc/33/48/25/221334825.db2.gz YNAFHUHLHYSRID-SJPCQFCGSA-N 2 1 311.433 2.529 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1cccnc1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000289947632 221334826 /nfs/dbraw/zinc/33/48/26/221334826.db2.gz YNAFHUHLHYSRID-SJPCQFCGSA-N 2 1 311.433 2.529 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cn[nH]c2)CC[N@@H+]1Cc1ccccc1 ZINC000289971349 221351595 /nfs/dbraw/zinc/35/15/95/221351595.db2.gz JDLZRKZQDUXMME-APWZRJJASA-N 2 1 312.461 2.937 20 0 DFADMP C[C@@H]1C[C@@H]([NH+](C)CCc2cn[nH]c2)CC[N@H+]1Cc1ccccc1 ZINC000289971349 221351598 /nfs/dbraw/zinc/35/15/98/221351598.db2.gz JDLZRKZQDUXMME-APWZRJJASA-N 2 1 312.461 2.937 20 0 DFADMP C[C@@H]1C[C@@H]([N@H+](C)CCc2cn[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000289971349 221351605 /nfs/dbraw/zinc/35/16/05/221351605.db2.gz JDLZRKZQDUXMME-APWZRJJASA-N 2 1 312.461 2.937 20 0 DFADMP C[C@@H]1C[C@@H]([N@@H+](C)CCc2cn[nH]c2)CC[NH+]1Cc1ccccc1 ZINC000289971349 221351607 /nfs/dbraw/zinc/35/16/07/221351607.db2.gz JDLZRKZQDUXMME-APWZRJJASA-N 2 1 312.461 2.937 20 0 DFADMP C[C@@H]1CC[C@H](N[C@@H]2CCC[N@@H+](Cc3ccccc3)[C@@H]2C)C[NH2+]1 ZINC000629538425 399640652 /nfs/dbraw/zinc/64/06/52/399640652.db2.gz JOLSHYUCANASRN-ZAWLATJESA-N 2 1 301.478 2.770 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043894 221398376 /nfs/dbraw/zinc/39/83/76/221398376.db2.gz RGRXNCGMVOIBPO-PBHICJAKSA-N 2 1 308.853 2.584 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043894 221398379 /nfs/dbraw/zinc/39/83/79/221398379.db2.gz RGRXNCGMVOIBPO-PBHICJAKSA-N 2 1 308.853 2.584 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043894 221398380 /nfs/dbraw/zinc/39/83/80/221398380.db2.gz RGRXNCGMVOIBPO-PBHICJAKSA-N 2 1 308.853 2.584 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)C1CC1 ZINC000290043894 221398382 /nfs/dbraw/zinc/39/83/82/221398382.db2.gz RGRXNCGMVOIBPO-PBHICJAKSA-N 2 1 308.853 2.584 20 0 DFADMP C[C@H](c1ccc(OC(F)(F)F)cc1)[N@@H+](C)CCOCC[NH3+] ZINC000629577934 399653365 /nfs/dbraw/zinc/65/33/65/399653365.db2.gz FWQAUWJWWDFMCD-LLVKDONJSA-N 2 1 306.328 2.553 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1cccc(OCc2ccccc2)c1 ZINC000629577534 399653725 /nfs/dbraw/zinc/65/37/25/399653725.db2.gz CDVNIIGRFZJGFQ-UHFFFAOYSA-N 2 1 314.429 2.673 20 0 DFADMP C[N@@H+](CCCc1ccc(C(F)(F)F)cc1)CCOCC[NH3+] ZINC000629576824 399654274 /nfs/dbraw/zinc/65/42/74/399654274.db2.gz DEQOXVUAWXMUKS-UHFFFAOYSA-N 2 1 304.356 2.545 20 0 DFADMP OCc1ccc(F)c(C[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000629544621 399642983 /nfs/dbraw/zinc/64/29/83/399642983.db2.gz JRGUAWRWQXMUHO-INIZCTEOSA-N 2 1 306.425 2.530 20 0 DFADMP C[C@@H]([NH2+][C@@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000629546057 399643594 /nfs/dbraw/zinc/64/35/94/399643594.db2.gz OAXVAQADTYUXQX-UXIGCNINSA-N 2 1 311.832 2.788 20 0 DFADMP C[C@H]([NH2+][C@H]1CCN(c2ccc(Cl)cc2F)C1)[C@H]1CCC[NH2+]1 ZINC000629546046 399643766 /nfs/dbraw/zinc/64/37/66/399643766.db2.gz OAXVAQADTYUXQX-CORIIIEPSA-N 2 1 311.832 2.788 20 0 DFADMP C[C@@H]([NH2+]Cc1cn([C@H]2CC[NH2+]C2)nn1)c1cccc(C2CC2)c1 ZINC000629550126 399645496 /nfs/dbraw/zinc/64/54/96/399645496.db2.gz MPFRHVSZUWYHEA-ACJLOTCBSA-N 2 1 311.433 2.541 20 0 DFADMP CC(C)(C)OCc1cccc(C[NH2+]C[C@H](O)C[NH+]2CCCC2)c1 ZINC000629558596 399648394 /nfs/dbraw/zinc/64/83/94/399648394.db2.gz KCBCZTCQJGCMKI-SFHVURJKSA-N 2 1 320.477 2.548 20 0 DFADMP Cc1ccc(CC[N@H+]2CC[C@@H](C(F)(F)F)[C@H](C[NH3+])C2)cc1 ZINC000629560653 399648756 /nfs/dbraw/zinc/64/87/56/399648756.db2.gz GEVPELHYWWDSRU-HUUCEWRRSA-N 2 1 300.368 2.997 20 0 DFADMP CN(CC[N@H+]1CC[C@H](C(F)(F)F)[C@H](C[NH3+])C1)c1ccccc1 ZINC000629561360 399650662 /nfs/dbraw/zinc/65/06/62/399650662.db2.gz HVZBFAQCEHDLIQ-HIFRSBDPSA-N 2 1 315.383 2.582 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567659 399652226 /nfs/dbraw/zinc/65/22/26/399652226.db2.gz PRTPUSATKXQICA-KBPBESRZSA-N 2 1 316.367 2.963 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CC[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000629567659 399652232 /nfs/dbraw/zinc/65/22/32/399652232.db2.gz PRTPUSATKXQICA-KBPBESRZSA-N 2 1 316.367 2.963 20 0 DFADMP Cc1cc(C[NH2+]CC2([NH3+])CCOCC2)ccc1C(F)(F)F ZINC000629655609 399677656 /nfs/dbraw/zinc/67/76/56/399677656.db2.gz WQZFCLWHMXVDAJ-UHFFFAOYSA-N 2 1 302.340 2.611 20 0 DFADMP COc1cc(C[N@@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C ZINC000629656798 399677682 /nfs/dbraw/zinc/67/76/82/399677682.db2.gz QYAMAOWBDJOFHJ-KGLIPLIRSA-N 2 1 316.367 2.963 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C(F)(F)F)[C@H](C[NH3+])C2)ccc1C ZINC000629656798 399677684 /nfs/dbraw/zinc/67/76/84/399677684.db2.gz QYAMAOWBDJOFHJ-KGLIPLIRSA-N 2 1 316.367 2.963 20 0 DFADMP Cc1ccc(CCC[N@H+]2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629657025 399679229 /nfs/dbraw/zinc/67/92/29/399679229.db2.gz SSPABLJGQUCXHC-LSDHHAIUSA-N 3 1 315.383 2.782 20 0 DFADMP Cc1ccc(CCCN2CC[C@@H](C(F)(F)F)[C@@H](C[NH3+])C2)cn1 ZINC000629657025 399679232 /nfs/dbraw/zinc/67/92/32/399679232.db2.gz SSPABLJGQUCXHC-LSDHHAIUSA-N 3 1 315.383 2.782 20 0 DFADMP C[N@H+](CCOCC[NH3+])Cc1cc(C(F)(F)F)ccc1Cl ZINC000629665980 399682807 /nfs/dbraw/zinc/68/28/07/399682807.db2.gz ZIOHWDJCWLRTNE-UHFFFAOYSA-N 2 1 310.747 2.766 20 0 DFADMP C[N@@H+](CCOCC[NH3+])Cc1cc(C(F)(F)F)ccc1Cl ZINC000629665980 399682810 /nfs/dbraw/zinc/68/28/10/399682810.db2.gz ZIOHWDJCWLRTNE-UHFFFAOYSA-N 2 1 310.747 2.766 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000629667289 399683030 /nfs/dbraw/zinc/68/30/30/399683030.db2.gz UPXGHWOWCZKGNL-HDICACEKSA-N 2 1 314.408 2.647 20 0 DFADMP C[C@]12C[NH2+]C[C@@]1(C)C[N@@H+](Cc1c[nH]nc1-c1ccc(F)cc1)C2 ZINC000629667289 399683034 /nfs/dbraw/zinc/68/30/34/399683034.db2.gz UPXGHWOWCZKGNL-HDICACEKSA-N 2 1 314.408 2.647 20 0 DFADMP Cn1nnc2ccc(-c3ccc(C[N@@H+]4CCC[C@@H]4C[NH3+])cc3)cc21 ZINC000629708799 399697171 /nfs/dbraw/zinc/69/71/71/399697171.db2.gz AZQKZTQXHAOWPF-QGZVFWFLSA-N 2 1 321.428 2.558 20 0 DFADMP Cn1nnc2ccc(-c3ccc(C[N@H+]4CCC[C@@H]4C[NH3+])cc3)cc21 ZINC000629708799 399697174 /nfs/dbraw/zinc/69/71/74/399697174.db2.gz AZQKZTQXHAOWPF-QGZVFWFLSA-N 2 1 321.428 2.558 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2cc(F)ccc2CO)cc1 ZINC000629731828 399706802 /nfs/dbraw/zinc/70/68/02/399706802.db2.gz GXEQCDFDEJYEBJ-SFHVURJKSA-N 2 1 314.404 2.908 20 0 DFADMP [NH3+]C[C@@H]1CCC[N@H+]1Cc1ccc(-c2cc(F)ccc2CO)cc1 ZINC000629731828 399706807 /nfs/dbraw/zinc/70/68/07/399706807.db2.gz GXEQCDFDEJYEBJ-SFHVURJKSA-N 2 1 314.404 2.908 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000294984980 224359961 /nfs/dbraw/zinc/35/99/61/224359961.db2.gz KBRIKNTURDJGOX-ALOPSCKCSA-N 2 1 310.445 2.896 20 0 DFADMP Cc1ccccc1-n1nccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000294984980 224359962 /nfs/dbraw/zinc/35/99/62/224359962.db2.gz KBRIKNTURDJGOX-ALOPSCKCSA-N 2 1 310.445 2.896 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000294973123 224350653 /nfs/dbraw/zinc/35/06/53/224350653.db2.gz KBXKKDXRLKYTQI-APWZRJJASA-N 2 1 324.472 2.828 20 0 DFADMP Cc1nccnc1CC[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294976212 224352543 /nfs/dbraw/zinc/35/25/43/224352543.db2.gz KHRHECGUYJOJFQ-QFBILLFUSA-N 2 1 324.472 2.828 20 0 DFADMP Cc1nccnc1CC[NH2+][C@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000294976213 224352616 /nfs/dbraw/zinc/35/26/16/224352616.db2.gz KHRHECGUYJOJFQ-VQIMIIECSA-N 2 1 324.472 2.828 20 0 DFADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824197 542542938 /nfs/dbraw/zinc/54/29/38/542542938.db2.gz BZHBZTMHXAKDDL-SFHVURJKSA-N 2 1 315.461 2.748 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000091824197 542542943 /nfs/dbraw/zinc/54/29/43/542542943.db2.gz BZHBZTMHXAKDDL-SFHVURJKSA-N 2 1 315.461 2.748 20 0 DFADMP C[C@@H]1OCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000093418734 542553575 /nfs/dbraw/zinc/55/35/75/542553575.db2.gz OJRBOLVQBUPWGU-IRXDYDNUSA-N 2 1 318.461 2.770 20 0 DFADMP C[C@@H]1OCC[N@@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H]1C ZINC000093418734 542553578 /nfs/dbraw/zinc/55/35/78/542553578.db2.gz OJRBOLVQBUPWGU-IRXDYDNUSA-N 2 1 318.461 2.770 20 0 DFADMP OC[C@@H]1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000295039853 224397216 /nfs/dbraw/zinc/39/72/16/224397216.db2.gz MNVXLULSBYGWQB-OUUBHVDSSA-N 2 1 314.473 2.648 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000271973649 285338652 /nfs/dbraw/zinc/33/86/52/285338652.db2.gz NHPNFIOQMQNMKT-JOCLIGHLSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000271973649 285338653 /nfs/dbraw/zinc/33/86/53/285338653.db2.gz NHPNFIOQMQNMKT-JOCLIGHLSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000271973649 285338654 /nfs/dbraw/zinc/33/86/54/285338654.db2.gz NHPNFIOQMQNMKT-JOCLIGHLSA-N 2 1 312.457 2.593 20 0 DFADMP O[C@@H]1c2ccccc2C[C@@H]1[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000271973649 285338656 /nfs/dbraw/zinc/33/86/56/285338656.db2.gz NHPNFIOQMQNMKT-JOCLIGHLSA-N 2 1 312.457 2.593 20 0 DFADMP C[C@@H](C[N@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1C1CC1 ZINC000617505267 399721069 /nfs/dbraw/zinc/72/10/69/399721069.db2.gz ZQYWRTBAIMTFNU-ZDUSSCGKSA-N 2 1 323.506 2.627 20 0 DFADMP C[C@@H](C[N@@H+](C)CCC[NH+](C)C)NC(=O)c1sccc1C1CC1 ZINC000617505267 399721074 /nfs/dbraw/zinc/72/10/74/399721074.db2.gz ZQYWRTBAIMTFNU-ZDUSSCGKSA-N 2 1 323.506 2.627 20 0 DFADMP C[N@@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CC[NH+](C)C1 ZINC000120940991 195269121 /nfs/dbraw/zinc/26/91/21/195269121.db2.gz HLFJYKYFMNGNID-GFCCVEGCSA-N 2 1 320.387 2.738 20 0 DFADMP C[N@H+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CC[NH+](C)C1 ZINC000120940991 195269125 /nfs/dbraw/zinc/26/91/25/195269125.db2.gz HLFJYKYFMNGNID-GFCCVEGCSA-N 2 1 320.387 2.738 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CC[N@H+](C)C1 ZINC000120940991 195269127 /nfs/dbraw/zinc/26/91/27/195269127.db2.gz HLFJYKYFMNGNID-GFCCVEGCSA-N 2 1 320.387 2.738 20 0 DFADMP C[NH+](Cc1c[nH]nc1-c1c(F)cccc1F)C[C@@H]1CC[N@@H+](C)C1 ZINC000120940991 195269129 /nfs/dbraw/zinc/26/91/29/195269129.db2.gz HLFJYKYFMNGNID-GFCCVEGCSA-N 2 1 320.387 2.738 20 0 DFADMP Cc1cc(C)n(CC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)n1 ZINC000120948720 195269744 /nfs/dbraw/zinc/26/97/44/195269744.db2.gz MZHMHOLQZIZTKT-GOSISDBHSA-N 2 1 304.482 2.696 20 0 DFADMP COCC[N@H+](C)CCCC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000122077997 195398450 /nfs/dbraw/zinc/39/84/50/195398450.db2.gz DWLRQLRBHPHVMI-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](Cc2ncc(C)o2)CC1 ZINC000122077997 195398452 /nfs/dbraw/zinc/39/84/52/195398452.db2.gz DWLRQLRBHPHVMI-UHFFFAOYSA-N 2 1 309.454 2.553 20 0 DFADMP CC[N@@H+](CCCn1ccnc1)Cc1ccc(C[NH+](C)C)cc1 ZINC000626062877 399741065 /nfs/dbraw/zinc/74/10/65/399741065.db2.gz JTGZVYICNCEPPJ-UHFFFAOYSA-N 2 1 300.450 2.857 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@H](O)CC(F)(F)F ZINC000626063195 399742323 /nfs/dbraw/zinc/74/23/23/399742323.db2.gz VFPYYNMEHSPKHV-HNNXBMFYSA-N 2 1 318.383 2.883 20 0 DFADMP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@H](OC)[C@@H]1CCOC1 ZINC000626063935 399742919 /nfs/dbraw/zinc/74/29/19/399742919.db2.gz WAFIXKXYQHIJGN-MOPGFXCFSA-N 2 1 320.477 2.622 20 0 DFADMP COCCCC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000309949323 533257851 /nfs/dbraw/zinc/25/78/51/533257851.db2.gz FICYPLSOJPCGPU-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP COCCCC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309949323 533257859 /nfs/dbraw/zinc/25/78/59/533257859.db2.gz FICYPLSOJPCGPU-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP COCCCC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000309949323 533257861 /nfs/dbraw/zinc/25/78/61/533257861.db2.gz FICYPLSOJPCGPU-OALUTQOASA-N 2 1 302.462 2.867 20 0 DFADMP C[C@@H](C(=O)NC[C@H](c1ccsc1)[NH+](C)C)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000299684763 533276393 /nfs/dbraw/zinc/27/63/93/533276393.db2.gz SFQIFRWKFZKPBV-KNCOVGOOSA-N 2 1 323.506 2.728 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)[C@H]1CCOC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000309708442 533502066 /nfs/dbraw/zinc/50/20/66/533502066.db2.gz IULAICSKTHGGKT-JFRXWTBNSA-N 2 1 302.462 2.912 20 0 DFADMP C[C@@H](CCCO)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000294917725 533559717 /nfs/dbraw/zinc/55/97/17/533559717.db2.gz YLIIQAKDGDWNDL-KRWDZBQOSA-N 2 1 304.478 2.692 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[NH+]1CCN(c2cc[nH+]cc2)CC1 ZINC000125241479 542600467 /nfs/dbraw/zinc/60/04/67/542600467.db2.gz DKDLZHNIDOVZCL-AEFFLSMTSA-N 2 1 303.450 2.799 20 0 DFADMP CN(C)[C@H](CNC(=O)C[N@@H+](C)C1CCC1)c1ccccc1Cl ZINC000629942985 399762054 /nfs/dbraw/zinc/76/20/54/399762054.db2.gz GMEDWUJNEGKMGM-MRXNPFEDSA-N 2 1 323.868 2.543 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)[NH2+]CCc2cnn(C)c2)cc1 ZINC000127870060 542615335 /nfs/dbraw/zinc/61/53/35/542615335.db2.gz YHYDTTUBCWQXDE-CQSZACIVSA-N 2 1 309.417 2.808 20 0 DFADMP c1cc2c(o1)CCC[C@H]2[NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000192880871 285456285 /nfs/dbraw/zinc/45/62/85/285456285.db2.gz AFSQBZDPXMWBSW-WMLDXEAASA-N 2 1 304.434 2.748 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ccc(F)cc2Cl)CC1 ZINC000136059547 542655427 /nfs/dbraw/zinc/65/54/27/542655427.db2.gz CBQPRTSUMAAZAM-UHFFFAOYSA-N 2 1 313.848 2.596 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000424158245 296488890 /nfs/dbraw/zinc/48/88/90/296488890.db2.gz QZACANVXMPGUAB-NSHDSACASA-N 2 1 323.343 2.939 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000181341159 542789389 /nfs/dbraw/zinc/78/93/89/542789389.db2.gz WZIPPMVEHGKFNX-PWSUYJOCSA-N 2 1 318.248 2.840 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000181341159 542789393 /nfs/dbraw/zinc/78/93/93/542789393.db2.gz WZIPPMVEHGKFNX-PWSUYJOCSA-N 2 1 318.248 2.840 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC[N@@H+]1C ZINC000181341125 542789464 /nfs/dbraw/zinc/78/94/64/542789464.db2.gz WZIPPMVEHGKFNX-ZYHUDNBSSA-N 2 1 318.248 2.840 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000181341125 542789465 /nfs/dbraw/zinc/78/94/65/542789465.db2.gz WZIPPMVEHGKFNX-ZYHUDNBSSA-N 2 1 318.248 2.840 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]CC(C)(C)c2ccccc2)CC1 ZINC000181765367 542791439 /nfs/dbraw/zinc/79/14/39/542791439.db2.gz KQAABDTXBOIQOI-UHFFFAOYSA-N 2 1 303.494 2.581 20 0 DFADMP C[N@H+]1CCC[C@@H](CNC(=O)CC2([NH3+])CCC2)[C@@H]1c1cccs1 ZINC000237114659 542900974 /nfs/dbraw/zinc/90/09/74/542900974.db2.gz OUCZWOIKBNKDKJ-XJKSGUPXSA-N 2 1 321.490 2.519 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H](c1cnn(C)c1)c1ccccc1 ZINC000273099605 542969892 /nfs/dbraw/zinc/96/98/92/542969892.db2.gz OGQMBFLARVZEID-DNVCBOLYSA-N 2 1 323.444 2.940 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c1 ZINC000296548089 292034939 /nfs/dbraw/zinc/03/49/39/292034939.db2.gz RJJOMYMWKOLFNI-HLVVYCRESA-N 2 1 308.447 2.811 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)c1 ZINC000296548089 292034940 /nfs/dbraw/zinc/03/49/40/292034940.db2.gz RJJOMYMWKOLFNI-HLVVYCRESA-N 2 1 308.447 2.811 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CCCn1cc[nH+]c1C)CC2 ZINC000280270932 542987739 /nfs/dbraw/zinc/98/77/39/542987739.db2.gz XWXMNMDTHIAGLY-INIZCTEOSA-N 2 1 315.417 2.876 20 0 DFADMP O[C@H](C[NH2+][C@H]1CCCc2c3ccccc3[nH]c21)C[NH+]1CCCC1 ZINC000289333058 543007026 /nfs/dbraw/zinc/00/70/26/543007026.db2.gz VWPIAPFMTFFEKP-KDOFPFPSSA-N 2 1 313.445 2.592 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@H](C)C1 ZINC000293774023 543021992 /nfs/dbraw/zinc/02/19/92/543021992.db2.gz SKJKDWJGPQGKJM-TZMCWYRMSA-N 2 1 315.383 2.963 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309822539 543065900 /nfs/dbraw/zinc/06/59/00/543065900.db2.gz ZZNRCESRVFVUHT-MUGJNUQGSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309822539 543065902 /nfs/dbraw/zinc/06/59/02/543065902.db2.gz ZZNRCESRVFVUHT-MUGJNUQGSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H](N[C@H]4CCC[NH2+]CC4)[C@H]3C2)cc1 ZINC000309822539 543065905 /nfs/dbraw/zinc/06/59/05/543065905.db2.gz ZZNRCESRVFVUHT-MUGJNUQGSA-N 2 1 313.489 2.629 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@@H]([NH3+])[C@@H](CC)C2)cc1 ZINC000317616428 543076174 /nfs/dbraw/zinc/07/61/74/543076174.db2.gz TUAIUNMGXSBWOM-MAUKXSAKSA-N 2 1 306.450 2.913 20 0 DFADMP C[C@@H]1C[C@H](C)CN(CC[N@H+]2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319721114 543080517 /nfs/dbraw/zinc/08/05/17/543080517.db2.gz MLAMPHMENBSZEE-ZRSRNVLSSA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319721114 543080520 /nfs/dbraw/zinc/08/05/20/543080520.db2.gz MLAMPHMENBSZEE-ZRSRNVLSSA-N 2 1 308.510 2.980 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CCC[C@@H]2[C@H]2CCCC[C@@H]2O)C1 ZINC000319721114 543080522 /nfs/dbraw/zinc/08/05/22/543080522.db2.gz MLAMPHMENBSZEE-ZRSRNVLSSA-N 2 1 308.510 2.980 20 0 DFADMP C[N@@H+](CCN1CC[NH2+]CC1)C1c2ccccc2-c2ccccc21 ZINC000320704909 543083304 /nfs/dbraw/zinc/08/33/04/543083304.db2.gz JDDBDPGEQLCDLJ-UHFFFAOYSA-N 2 1 307.441 2.593 20 0 DFADMP Cc1cc(C)c(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)c(C)c1 ZINC000604389186 399843605 /nfs/dbraw/zinc/84/36/05/399843605.db2.gz UXPIGKGTRIUWJP-LJQANCHMSA-N 2 1 315.505 2.824 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000322072426 543088155 /nfs/dbraw/zinc/08/81/55/543088155.db2.gz FUZHRGKWNBGDJB-WBVHZDCISA-N 2 1 318.461 2.976 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1OC ZINC000322072426 543088158 /nfs/dbraw/zinc/08/81/58/543088158.db2.gz FUZHRGKWNBGDJB-WBVHZDCISA-N 2 1 318.461 2.976 20 0 DFADMP CCCc1ccc(C[NH+]2CCN([C@@H]3CCC[N@@H+](C)C3)CC2)cc1 ZINC000604388343 399843829 /nfs/dbraw/zinc/84/38/29/399843829.db2.gz ATUSOWYJNMHQKC-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP Cc1ccccc1-c1noc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000322852258 543090250 /nfs/dbraw/zinc/09/02/50/543090250.db2.gz PZVXWGWSXPYUDE-IMJJTQAJSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccccc1-c1noc(C[N@H+]2C[C@@H]3CCC[C@H]([NH3+])[C@@H]3C2)n1 ZINC000322852258 543090251 /nfs/dbraw/zinc/09/02/51/543090251.db2.gz PZVXWGWSXPYUDE-IMJJTQAJSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccccc1-c1noc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000322852259 543090419 /nfs/dbraw/zinc/09/04/19/543090419.db2.gz PZVXWGWSXPYUDE-NUEKZKHPSA-N 2 1 312.417 2.604 20 0 DFADMP Cc1ccccc1-c1noc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)n1 ZINC000322852259 543090423 /nfs/dbraw/zinc/09/04/23/543090423.db2.gz PZVXWGWSXPYUDE-NUEKZKHPSA-N 2 1 312.417 2.604 20 0 DFADMP CCCc1ccc(C[NH+]2CCN([C@@H]3CCC[N@H+](C)C3)CC2)cc1 ZINC000604388343 399843824 /nfs/dbraw/zinc/84/38/24/399843824.db2.gz ATUSOWYJNMHQKC-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCC[N@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000328218216 543095646 /nfs/dbraw/zinc/09/56/46/543095646.db2.gz XNJMUIFJPLBTPO-LJQANCHMSA-N 2 1 301.478 2.725 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCCNC(=O)CC[NH+]2CCCC[C@@H]2C)C1 ZINC000339263974 543142714 /nfs/dbraw/zinc/14/27/14/543142714.db2.gz IBNURPYGIDJFRD-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[N@@H+]2CCCC[C@@H]2C)C1 ZINC000339263974 543142716 /nfs/dbraw/zinc/14/27/16/543142716.db2.gz IBNURPYGIDJFRD-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCCNC(=O)CC[N@H+]2CCCC[C@@H]2C)C1 ZINC000339263974 543142718 /nfs/dbraw/zinc/14/27/18/543142718.db2.gz IBNURPYGIDJFRD-KSZLIROESA-N 2 1 323.525 2.735 20 0 DFADMP CC(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)CC1 ZINC000339066867 543139413 /nfs/dbraw/zinc/13/94/13/543139413.db2.gz IIMMSLGFPOJFIV-MOPGFXCFSA-N 3 1 307.526 2.961 20 0 DFADMP C1C[C@H]2C[C@H](NC3CC[NH+](C4CCCCC4)CC3)CC[N@H+]2C1 ZINC000339077049 543140169 /nfs/dbraw/zinc/14/01/69/543140169.db2.gz YORDSKGDZFXTNN-MJGOQNOKSA-N 2 1 305.510 3.000 20 0 DFADMP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000339066663 543140516 /nfs/dbraw/zinc/14/05/16/543140516.db2.gz CSHPIBCXRORVCX-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000339066663 543140519 /nfs/dbraw/zinc/14/05/19/543140519.db2.gz CSHPIBCXRORVCX-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+]2CCC[C@H]2C1)c1cccc(F)c1 ZINC000339066663 543140523 /nfs/dbraw/zinc/14/05/23/543140523.db2.gz CSHPIBCXRORVCX-FGTMMUONSA-N 2 1 305.441 2.645 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000340242931 543151519 /nfs/dbraw/zinc/15/15/19/543151519.db2.gz BTTHSDCYVMROIJ-INDMIFKZSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC[C@H]2O)C[C@@H]1c1ccccc1 ZINC000340242931 543151521 /nfs/dbraw/zinc/15/15/21/543151521.db2.gz BTTHSDCYVMROIJ-INDMIFKZSA-N 2 1 302.462 2.963 20 0 DFADMP CCCC[C@@H](C)[C@@H](C)[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000343530350 543167445 /nfs/dbraw/zinc/16/74/45/543167445.db2.gz NMVUSXXONYNNGV-HZPDHXFCSA-N 2 1 311.514 2.734 20 0 DFADMP CN1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CC3)cc2)CC1 ZINC000348081060 543183087 /nfs/dbraw/zinc/18/30/87/543183087.db2.gz HXWBSKQTULKZPS-WOJBJXKFSA-N 2 1 313.489 2.712 20 0 DFADMP CN(C)C(=O)CC[NH+]1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC000348007529 543183201 /nfs/dbraw/zinc/18/32/01/543183201.db2.gz PQHDDYSWQIVVQT-UHFFFAOYSA-N 2 1 323.525 2.879 20 0 DFADMP OC[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348107900 543183336 /nfs/dbraw/zinc/18/33/36/543183336.db2.gz JOCJJEHHNNLSSP-LWYYNNOASA-N 2 1 314.473 2.648 20 0 DFADMP OC[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CC[C@H]1C1CC1 ZINC000348107900 543183337 /nfs/dbraw/zinc/18/33/37/543183337.db2.gz JOCJJEHHNNLSSP-LWYYNNOASA-N 2 1 314.473 2.648 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000351606501 543226261 /nfs/dbraw/zinc/22/62/61/543226261.db2.gz TYKWXSOORWXHLO-IAGOWNOFSA-N 2 1 308.441 2.958 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@H](c1cccc(F)c1)C(C)(C)C)C1CC1 ZINC000351606501 543226263 /nfs/dbraw/zinc/22/62/63/543226263.db2.gz TYKWXSOORWXHLO-IAGOWNOFSA-N 2 1 308.441 2.958 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2cncnc2)CC1)CC1CC1 ZINC000355898131 543253004 /nfs/dbraw/zinc/25/30/04/543253004.db2.gz FXJDWAFXAYWKTE-UHFFFAOYSA-N 2 1 302.466 2.811 20 0 DFADMP COc1cc2c(cc1OC)[C@@H]([NH2+]CC1=CC[N@@H+](C)CC1)CC2 ZINC000358965231 543269982 /nfs/dbraw/zinc/26/99/82/543269982.db2.gz MOUZVJIGTUHOBG-INIZCTEOSA-N 2 1 302.418 2.543 20 0 DFADMP CS[C@H]1CC[C@@H]1[NH2+]C1CCN(c2cc(C)[nH+]c(C)n2)CC1 ZINC000425340658 296569348 /nfs/dbraw/zinc/56/93/48/296569348.db2.gz FELOVSDTGUOTOU-GJZGRUSLSA-N 2 1 306.479 2.546 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000390675804 543306254 /nfs/dbraw/zinc/30/62/54/543306254.db2.gz RPYUDVUEAOIXQN-YJBOKZPZSA-N 2 1 304.434 2.525 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)CC[N@@H+]1C ZINC000165716716 145232270 /nfs/dbraw/zinc/23/22/70/145232270.db2.gz SSZCQEQRJZLUMA-QAPCUYQASA-N 2 1 319.468 2.862 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCN(Cc3ccccc3F)CC2)CC[N@H+]1C ZINC000165716716 145232272 /nfs/dbraw/zinc/23/22/72/145232272.db2.gz SSZCQEQRJZLUMA-QAPCUYQASA-N 2 1 319.468 2.862 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000167464060 145240594 /nfs/dbraw/zinc/24/05/94/145240594.db2.gz UAVYRYWUCMWJMH-HZSPNIEDSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000167464060 145240595 /nfs/dbraw/zinc/24/05/95/145240595.db2.gz UAVYRYWUCMWJMH-HZSPNIEDSA-N 2 1 309.404 2.616 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N[C@@H]1CCC[N@@H+](CC)C1)c1ccccc1 ZINC000170903734 145255595 /nfs/dbraw/zinc/25/55/95/145255595.db2.gz NASWGGMFXUCZGM-QZTJIDSGSA-N 2 1 317.477 2.670 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@@H](C)c3cccc(F)c3)C2)CC1 ZINC000171527810 145269681 /nfs/dbraw/zinc/26/96/81/145269681.db2.gz CAZRZSJYNOVRAX-YJBOKZPZSA-N 2 1 305.441 2.599 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000402806760 543313255 /nfs/dbraw/zinc/31/32/55/543313255.db2.gz CDADULMQMHIYGE-PKOBYXMFSA-N 2 1 324.472 2.970 20 0 DFADMP Cc1cncc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@@H](C)C2)n1 ZINC000402806760 543313258 /nfs/dbraw/zinc/31/32/58/543313258.db2.gz CDADULMQMHIYGE-PKOBYXMFSA-N 2 1 324.472 2.970 20 0 DFADMP [NH3+]CCC[N@H+]1CCC[C@H](Nc2cccc(Br)c2)C1 ZINC000414752131 543327470 /nfs/dbraw/zinc/32/74/70/543327470.db2.gz KAJRWVHELPSQFD-AWEZNQCLSA-N 2 1 312.255 2.674 20 0 DFADMP [NH3+][C@@H](C[NH2+]Cc1ccc(Br)c2cccnc12)C1CC1 ZINC000414895468 543328097 /nfs/dbraw/zinc/32/80/97/543328097.db2.gz XNSACFCNPUCAFW-AWEZNQCLSA-N 2 1 320.234 2.824 20 0 DFADMP C[NH+](C)CC[C@@H]([NH2+][C@@H]1CCN(C2CCCCC2)C1=O)C(C)(C)C ZINC000630382227 399880334 /nfs/dbraw/zinc/88/03/34/399880334.db2.gz RWMQOISDAGMIOA-IAGOWNOFSA-N 2 1 323.525 2.876 20 0 DFADMP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H](C)Cn2cc[nH+]c2C)C[C@H]1C ZINC000248393719 285876203 /nfs/dbraw/zinc/87/62/03/285876203.db2.gz HABVWHPPCWYCHD-HDEZJCGLSA-N 2 1 321.465 2.785 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174876096 145393831 /nfs/dbraw/zinc/39/38/31/145393831.db2.gz ICOXIDJUYHWMLA-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP Cc1ccc(C[N@@H+]2CCCC[C@H](N3CC[NH+](C)CC3)C2)cc1 ZINC000174876096 145393837 /nfs/dbraw/zinc/39/38/37/145393837.db2.gz ICOXIDJUYHWMLA-IBGZPJMESA-N 2 1 301.478 2.597 20 0 DFADMP COCCc1ncc(C[NH2+]C2CC(C)(C)[NH2+]C(C)(C)C2)s1 ZINC000631035050 399966209 /nfs/dbraw/zinc/96/62/09/399966209.db2.gz IRCVAAGQPFSDNT-UHFFFAOYSA-N 2 1 311.495 2.731 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]C[C@@H](C)Cn1cc[nH+]c1C ZINC000631064756 399972728 /nfs/dbraw/zinc/97/27/28/399972728.db2.gz SPSRKSSQCXRODK-GFCCVEGCSA-N 2 1 321.396 2.774 20 0 DFADMP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]Cc1oc2ccccc2c1Cl ZINC000631067482 399973508 /nfs/dbraw/zinc/97/35/08/399973508.db2.gz MWWNZYLEPGTIJM-ZDUSSCGKSA-N 2 1 321.852 2.812 20 0 DFADMP COc1cncc(C[NH2+]C2CC[NH+](C3CCCC3)CC2)c1C ZINC000631084646 399977753 /nfs/dbraw/zinc/97/77/53/399977753.db2.gz WGSUGUKDBRAGRK-UHFFFAOYSA-N 2 1 303.450 2.895 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631098083 399980040 /nfs/dbraw/zinc/98/00/40/399980040.db2.gz JVWMJTKQOICQRO-MRXNPFEDSA-N 2 1 318.509 2.757 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631098083 399980041 /nfs/dbraw/zinc/98/00/41/399980041.db2.gz JVWMJTKQOICQRO-MRXNPFEDSA-N 2 1 318.509 2.757 20 0 DFADMP COc1cc(F)cc(OC)c1C[NH2+]CC[C@@H]1CCC[N@@H+](C)C1 ZINC000631157696 399992386 /nfs/dbraw/zinc/99/23/86/399992386.db2.gz FJNXZCVWMJHPAY-ZDUSSCGKSA-N 2 1 310.413 2.664 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n(CC2CCC2)n1 ZINC000631177797 399996805 /nfs/dbraw/zinc/99/68/05/399996805.db2.gz AAKXXIKUFQMHPQ-SFHVURJKSA-N 2 1 316.493 2.895 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CCC[N@@H+](CC3CC3)C2)n(CC2CCC2)n1 ZINC000631177797 399996809 /nfs/dbraw/zinc/99/68/09/399996809.db2.gz AAKXXIKUFQMHPQ-SFHVURJKSA-N 2 1 316.493 2.895 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@]2(C)CCCS2)C1 ZINC000628186672 399998240 /nfs/dbraw/zinc/99/82/40/399998240.db2.gz SMHWMOGVUHPNMU-HZPDHXFCSA-N 2 1 300.512 2.705 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000631192806 399999920 /nfs/dbraw/zinc/99/99/20/399999920.db2.gz AMVVQKSBKAQESI-QAPCUYQASA-N 2 1 312.461 2.586 20 0 DFADMP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)n1C ZINC000631192806 399999922 /nfs/dbraw/zinc/99/99/22/399999922.db2.gz AMVVQKSBKAQESI-QAPCUYQASA-N 2 1 312.461 2.586 20 0 DFADMP C[C@@]1(C[NH2+]Cc2ccc(C[NH+]3CCOCC3)cc2)CCCS1 ZINC000628199991 400000117 /nfs/dbraw/zinc/00/01/17/400000117.db2.gz SNGFIPCEXAWGAG-SFHVURJKSA-N 2 1 320.502 2.894 20 0 DFADMP CCc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195229 400000783 /nfs/dbraw/zinc/00/07/83/400000783.db2.gz UUMSUWRFTJRLDH-VQIMIIECSA-N 2 1 324.472 2.897 20 0 DFADMP CCc1ncc(C[NH2+]C[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]2C)cn1 ZINC000631195229 400000785 /nfs/dbraw/zinc/00/07/85/400000785.db2.gz UUMSUWRFTJRLDH-VQIMIIECSA-N 2 1 324.472 2.897 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+]CC1=CCCOC1 ZINC000631196058 400001562 /nfs/dbraw/zinc/00/15/62/400001562.db2.gz NKDSKDLNRNAYNV-APWZRJJASA-N 2 1 300.446 2.691 20 0 DFADMP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000631217212 400006148 /nfs/dbraw/zinc/00/61/48/400006148.db2.gz VLQBXVIVNXJQMQ-HZPDHXFCSA-N 2 1 324.415 2.789 20 0 DFADMP O[C@H](CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C(F)F ZINC000631217212 400006150 /nfs/dbraw/zinc/00/61/50/400006150.db2.gz VLQBXVIVNXJQMQ-HZPDHXFCSA-N 2 1 324.415 2.789 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@@H+]1Cc1ccccc1 ZINC000631301978 400020981 /nfs/dbraw/zinc/02/09/81/400020981.db2.gz YJOUACZWPXBUOR-KANFNMMFSA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H]1C[C@@H]([NH2+][C@@H]2CCCC[C@@H]2O)CC[N@H+]1Cc1ccccc1 ZINC000631301978 400020982 /nfs/dbraw/zinc/02/09/82/400020982.db2.gz YJOUACZWPXBUOR-KANFNMMFSA-N 2 1 302.462 2.933 20 0 DFADMP O[C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000631742245 400071478 /nfs/dbraw/zinc/07/14/78/400071478.db2.gz OCDGRTRNVXDJQR-PJVZLEMVSA-N 2 1 300.446 2.685 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[C@@H](C)[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000631793441 400075884 /nfs/dbraw/zinc/07/58/84/400075884.db2.gz GZZJVDUXHUFEKR-YZGWKJHDSA-N 2 1 315.505 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000631793441 400075885 /nfs/dbraw/zinc/07/58/85/400075885.db2.gz GZZJVDUXHUFEKR-YZGWKJHDSA-N 2 1 315.505 2.921 20 0 DFADMP CC(C)[C@H]1CN([C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000631793441 400075886 /nfs/dbraw/zinc/07/58/86/400075886.db2.gz GZZJVDUXHUFEKR-YZGWKJHDSA-N 2 1 315.505 2.921 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)C[C@@H]1C[NH3+] ZINC000631841194 400078979 /nfs/dbraw/zinc/07/89/79/400078979.db2.gz ZLVAUZXYOYIHHS-YPMHNXCESA-N 2 1 302.340 2.654 20 0 DFADMP CC[C@@H]1CC[C@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430717116 543346853 /nfs/dbraw/zinc/34/68/53/543346853.db2.gz FMUQBCOFMUVNMY-JZXOWHBKSA-N 2 1 323.525 2.734 20 0 DFADMP CC[C@@H]1CC[C@@H](C)C[C@@H]1[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000430717120 543346938 /nfs/dbraw/zinc/34/69/38/543346938.db2.gz FMUQBCOFMUVNMY-NUJGCVRESA-N 2 1 323.525 2.734 20 0 DFADMP [NH3+][C@@H](C(=O)N1CCC[C@H]([NH+]2CCCCCC2)C1)c1ccccc1 ZINC000237799228 146052317 /nfs/dbraw/zinc/05/23/17/146052317.db2.gz OMWGBLFZGNYVNB-ZWKOTPCHSA-N 2 1 315.461 2.553 20 0 DFADMP Cc1nccn1CCCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245614669 146088157 /nfs/dbraw/zinc/08/81/57/146088157.db2.gz MIYALVSXHXSHMJ-IRXDYDNUSA-N 2 1 323.506 2.958 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245614669 146088159 /nfs/dbraw/zinc/08/81/59/146088159.db2.gz MIYALVSXHXSHMJ-IRXDYDNUSA-N 2 1 323.506 2.958 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+](C[C@@H]1CCCO1)[C@H]1CCSC1 ZINC000245614669 146088161 /nfs/dbraw/zinc/08/81/61/146088161.db2.gz MIYALVSXHXSHMJ-IRXDYDNUSA-N 2 1 323.506 2.958 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)CC[N@@H+]1C ZINC000245620008 146088899 /nfs/dbraw/zinc/08/88/99/146088899.db2.gz WHWSVIDUYFBCSQ-PMPSAXMXSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(c3ccccc3F)C2)CC[N@H+]1C ZINC000245620008 146088901 /nfs/dbraw/zinc/08/89/01/146088901.db2.gz WHWSVIDUYFBCSQ-PMPSAXMXSA-N 2 1 305.441 2.867 20 0 DFADMP CC1CC[NH+](C[C@@H]2CCCN(CC[C@H]3CCC[N@H+]3C)C2)CC1 ZINC000245705183 146096787 /nfs/dbraw/zinc/09/67/87/146096787.db2.gz YIBRKOWHOUOLHQ-RTBURBONSA-N 2 1 307.526 2.915 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]C[C@H]2CCN(C)c3ccccc32)[C@@H](C)C1 ZINC000245924277 146111408 /nfs/dbraw/zinc/11/14/08/146111408.db2.gz RTWXHBLWFPCEDW-JZXOWHBKSA-N 2 1 301.478 2.930 20 0 DFADMP COc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000246089167 146118809 /nfs/dbraw/zinc/11/88/09/146118809.db2.gz ILZCUTHEIXOWJW-JKSUJKDBSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[N@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)cc1OC ZINC000246089167 146118812 /nfs/dbraw/zinc/11/88/12/146118812.db2.gz ILZCUTHEIXOWJW-JKSUJKDBSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC ZINC000246089167 146118815 /nfs/dbraw/zinc/11/88/15/146118815.db2.gz ILZCUTHEIXOWJW-JKSUJKDBSA-N 2 1 304.434 2.620 20 0 DFADMP COc1ccc(C[NH+]2CC[C@@H]3[C@@H](CCC[N@H+]3C)C2)cc1OC ZINC000246089167 146118819 /nfs/dbraw/zinc/11/88/19/146118819.db2.gz ILZCUTHEIXOWJW-JKSUJKDBSA-N 2 1 304.434 2.620 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(Cc3ccccc3)c2)C1 ZINC000247154378 146163481 /nfs/dbraw/zinc/16/34/81/146163481.db2.gz TWFUYTAZFZBISV-AEFFLSMTSA-N 2 1 312.461 2.924 20 0 DFADMP CCN(C)c1ccc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cn1 ZINC000248884000 146173506 /nfs/dbraw/zinc/17/35/06/146173506.db2.gz QICOXXFDTMHWBX-RDJZCZTQSA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cn1 ZINC000248884000 146173511 /nfs/dbraw/zinc/17/35/11/146173511.db2.gz QICOXXFDTMHWBX-RDJZCZTQSA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cn1 ZINC000248884000 146173516 /nfs/dbraw/zinc/17/35/16/146173516.db2.gz QICOXXFDTMHWBX-RDJZCZTQSA-N 2 1 304.482 2.700 20 0 DFADMP CCN(C)c1ccc(C[NH+](C)[C@H]2CC[N@@H+](CC)C[C@@H]2C)cn1 ZINC000248884000 146173519 /nfs/dbraw/zinc/17/35/19/146173519.db2.gz QICOXXFDTMHWBX-RDJZCZTQSA-N 2 1 304.482 2.700 20 0 DFADMP C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C1 ZINC000249000398 146181704 /nfs/dbraw/zinc/18/17/04/146181704.db2.gz QILDBPVRZKIGCI-DUQJVZAFSA-N 2 1 307.526 2.958 20 0 DFADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3C)C[N@H+]1Cc1ccccc1 ZINC000249031023 146182552 /nfs/dbraw/zinc/18/25/52/146182552.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)C[NH+]1Cc1ccccc1 ZINC000249031023 146182553 /nfs/dbraw/zinc/18/25/53/146182553.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)C[NH+]1Cc1ccccc1 ZINC000249031023 146182554 /nfs/dbraw/zinc/18/25/54/146182554.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CN1Cc1ccccc1 ZINC000249031023 146182555 /nfs/dbraw/zinc/18/25/55/146182555.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CN1Cc1ccccc1 ZINC000249031023 146182556 /nfs/dbraw/zinc/18/25/56/146182556.db2.gz RCRABHYFWIYBCA-IFNDBITQSA-N 2 1 313.489 2.864 20 0 DFADMP C[C@@H](C[NH2+]CCCC[N@H+]1CCC[C@H]1CO)Cc1ccccc1 ZINC000249459213 146198338 /nfs/dbraw/zinc/19/83/38/146198338.db2.gz QJKHCNMMJLSEMN-MJGOQNOKSA-N 2 1 304.478 2.692 20 0 DFADMP C[N@H+]1CCC[C@H]2C[NH+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520560 146200787 /nfs/dbraw/zinc/20/07/87/146200787.db2.gz UZXXOBSNONMZNC-RBUKOAKNSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@H+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520560 146200790 /nfs/dbraw/zinc/20/07/90/146200790.db2.gz UZXXOBSNONMZNC-RBUKOAKNSA-N 2 1 314.473 2.970 20 0 DFADMP C[NH+]1CCC[C@H]2C[N@@H+](CCCc3ccc4c(c3)CCO4)CC[C@H]21 ZINC000249520560 146200793 /nfs/dbraw/zinc/20/07/93/146200793.db2.gz UZXXOBSNONMZNC-RBUKOAKNSA-N 2 1 314.473 2.970 20 0 DFADMP OCCC1(C[NH2+][C@@H]2CC[C@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000250095559 146210490 /nfs/dbraw/zinc/21/04/90/146210490.db2.gz QSOUVRMGXCVXPX-GBESFXJTSA-N 2 1 314.473 2.649 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H](C)C2)C[N@H+]1Cc1ccccc1 ZINC000252695958 146222410 /nfs/dbraw/zinc/22/24/10/146222410.db2.gz AZPRWTRAZHBWOO-JFRXWTBNSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CC[N@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000252695958 146222414 /nfs/dbraw/zinc/22/24/14/146222414.db2.gz AZPRWTRAZHBWOO-JFRXWTBNSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@H](N[C@@H]2CC[N@@H+](C)[C@H](C)C2)C[NH+]1Cc1ccccc1 ZINC000252695958 146222419 /nfs/dbraw/zinc/22/24/19/146222419.db2.gz AZPRWTRAZHBWOO-JFRXWTBNSA-N 2 1 301.478 2.722 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](C)C2CCN(Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544200 146238259 /nfs/dbraw/zinc/23/82/59/146238259.db2.gz IOTVUSFFSAVSLR-PKOBYXMFSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H](C[N@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544200 146238263 /nfs/dbraw/zinc/23/82/63/146238263.db2.gz IOTVUSFFSAVSLR-PKOBYXMFSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@H]1C[C@H](C[N@@H+](C)C2CC[NH+](Cc3ccccc3)CC2)CC[NH2+]1 ZINC000261544200 146238266 /nfs/dbraw/zinc/23/82/66/146238266.db2.gz IOTVUSFFSAVSLR-PKOBYXMFSA-N 3 1 315.505 2.971 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551696 146239441 /nfs/dbraw/zinc/23/94/41/146239441.db2.gz QVIQYTPVPWICBW-FHWLQOOXSA-N 3 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000261551696 146239444 /nfs/dbraw/zinc/23/94/44/146239444.db2.gz QVIQYTPVPWICBW-FHWLQOOXSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+]C[C@@H]1CCCC[C@@H]1NC[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261551696 146239446 /nfs/dbraw/zinc/23/94/46/146239446.db2.gz QVIQYTPVPWICBW-FHWLQOOXSA-N 2 1 301.478 2.616 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@H+](Cc3cc(Br)cs3)C[C@H]12 ZINC000261577037 146242753 /nfs/dbraw/zinc/24/27/53/146242753.db2.gz KUWXTELTBSUVDM-JFUSQASVSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+][C@@H]1CC[C@@H]2C[N@@H+](Cc3cc(Br)cs3)C[C@H]12 ZINC000261577037 146242755 /nfs/dbraw/zinc/24/27/55/146242755.db2.gz KUWXTELTBSUVDM-JFUSQASVSA-N 2 1 301.253 2.680 20 0 DFADMP [NH3+]C[C@@H]1C[N@@H+](CCOc2cccc(F)c2)C[C@H]1c1ccccc1 ZINC000261600385 146244024 /nfs/dbraw/zinc/24/40/24/146244024.db2.gz ACQXLQWBLZLVHM-APWZRJJASA-N 2 1 314.404 2.879 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261637758 146251239 /nfs/dbraw/zinc/25/12/39/146251239.db2.gz IIQLNFLWPKZMSQ-CQSZACIVSA-N 2 1 300.324 2.771 20 0 DFADMP FC(F)(F)Oc1cccc(C[N@H+]2CC[C@@]3(CC[NH2+]C3)C2)c1 ZINC000261637758 146251242 /nfs/dbraw/zinc/25/12/42/146251242.db2.gz IIQLNFLWPKZMSQ-CQSZACIVSA-N 2 1 300.324 2.771 20 0 DFADMP CC(C)(C)c1ccc(C[NH+]2CCN([C@H]3CC[NH2+]C3)CC2)s1 ZINC000261643058 146252226 /nfs/dbraw/zinc/25/22/26/146252226.db2.gz IVHUTVOXOQXNMN-AWEZNQCLSA-N 2 1 307.507 2.525 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000261646192 146252706 /nfs/dbraw/zinc/25/27/06/146252706.db2.gz APQXEJZOUSCYMK-MRXNPFEDSA-N 2 1 312.461 2.956 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2c[nH]nc2-c2cccc(Cl)c2)C1 ZINC000261660654 146255206 /nfs/dbraw/zinc/25/52/06/146255206.db2.gz FRVHAEQXEUGQNI-INIZCTEOSA-N 2 1 304.825 2.901 20 0 DFADMP Cc1cccn2c(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cnc12 ZINC000261683197 146259582 /nfs/dbraw/zinc/25/95/82/146259582.db2.gz KCWIWEZJVRKFKJ-MJGOQNOKSA-N 2 1 320.440 2.817 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C[C@]2(C)CC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000261714587 146263688 /nfs/dbraw/zinc/26/36/88/146263688.db2.gz FARWGQQMIYJBGI-YZGWKJHDSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]([NH3+])CC(=O)NCc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000261721171 146264977 /nfs/dbraw/zinc/26/49/77/146264977.db2.gz FDZBGAZNTIPWDS-OAHLLOKOSA-N 2 1 317.477 2.805 20 0 DFADMP Cc1ccc(C[N@@H+](C)CC(C)(C)C[NH3+])c(-c2cnn(C)c2)c1 ZINC000261753583 146270833 /nfs/dbraw/zinc/27/08/33/146270833.db2.gz CIVHPLQYMRXTJH-UHFFFAOYSA-N 2 1 300.450 2.812 20 0 DFADMP Cn1cnc2cc(C[N@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)ccc21 ZINC000261806846 146280525 /nfs/dbraw/zinc/28/05/25/146280525.db2.gz WKMPNXWUVWJUJN-MSOLQXFVSA-N 2 1 320.440 2.748 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2ccc(Cl)cc2C)CC1 ZINC000261824760 146282739 /nfs/dbraw/zinc/28/27/39/146282739.db2.gz AWFVTRALINSWDG-UHFFFAOYSA-N 2 1 323.868 2.908 20 0 DFADMP Cc1ccccc1C1CC(N(Cc2noc(C[NH3+])n2)C2CC2)C1 ZINC000261886469 146294881 /nfs/dbraw/zinc/29/48/81/146294881.db2.gz ZDPLCYKPQSTZTP-UHFFFAOYSA-N 2 1 312.417 2.747 20 0 DFADMP CC(C)c1ccc(NC(=O)C[N@@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261891266 146296162 /nfs/dbraw/zinc/29/61/62/146296162.db2.gz NUDITPLYOCNXPC-CGTJXYLNSA-N 2 1 315.461 2.808 20 0 DFADMP CC(C)c1ccc(NC(=O)C[N@H+]2C[C@@H]3CCC[C@@H]([NH3+])[C@@H]3C2)cc1 ZINC000261891266 146296165 /nfs/dbraw/zinc/29/61/65/146296165.db2.gz NUDITPLYOCNXPC-CGTJXYLNSA-N 2 1 315.461 2.808 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000261908902 146300492 /nfs/dbraw/zinc/30/04/92/146300492.db2.gz XIBVVDNBSZOFQN-IBGZPJMESA-N 2 1 311.429 2.831 20 0 DFADMP C[C@@]1(C[NH3+])CC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000261908902 146300494 /nfs/dbraw/zinc/30/04/94/146300494.db2.gz XIBVVDNBSZOFQN-IBGZPJMESA-N 2 1 311.429 2.831 20 0 DFADMP C[C@H](NC(=O)C[N@@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1Cl ZINC000261920602 146301343 /nfs/dbraw/zinc/30/13/43/146301343.db2.gz HXTGIKVVIUHZKR-KBPBESRZSA-N 2 1 323.868 2.721 20 0 DFADMP C[C@H](NC(=O)C[N@H+]1CCCC[C@H]1CC[NH3+])c1ccccc1Cl ZINC000261920602 146301346 /nfs/dbraw/zinc/30/13/46/146301346.db2.gz HXTGIKVVIUHZKR-KBPBESRZSA-N 2 1 323.868 2.721 20 0 DFADMP Cc1ccc2c(C[N@H+]3CCC[C@H](CC[NH3+])C3)cc(=O)oc2c1 ZINC000261916829 146301353 /nfs/dbraw/zinc/30/13/53/146301353.db2.gz HCRBHJBBJWEFQX-CQSZACIVSA-N 2 1 300.402 2.662 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000261916810 146301370 /nfs/dbraw/zinc/30/13/70/146301370.db2.gz HCECPJICVQOSGL-AWEZNQCLSA-N 2 1 323.868 2.956 20 0 DFADMP Cc1cc(C)c(NC(=O)C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(Cl)c1 ZINC000261916810 146301372 /nfs/dbraw/zinc/30/13/72/146301372.db2.gz HCECPJICVQOSGL-AWEZNQCLSA-N 2 1 323.868 2.956 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1COCC[NH2+]1 ZINC000261939803 146305753 /nfs/dbraw/zinc/30/57/53/146305753.db2.gz MQOBPNALFSHUDO-KURKYZTESA-N 2 1 318.461 2.640 20 0 DFADMP CCOc1cc(C)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1COCC[NH2+]1 ZINC000261939800 146305791 /nfs/dbraw/zinc/30/57/91/146305791.db2.gz MQOBPNALFSHUDO-KSZLIROESA-N 2 1 318.461 2.640 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261952413 146309006 /nfs/dbraw/zinc/30/90/06/146309006.db2.gz WPCFHURKDIEXPB-JQHSSLGASA-N 2 1 316.445 2.847 20 0 DFADMP CCOc1ccc(C(C)=O)cc1C[N@H+]1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000261952413 146309007 /nfs/dbraw/zinc/30/90/07/146309007.db2.gz WPCFHURKDIEXPB-JQHSSLGASA-N 2 1 316.445 2.847 20 0 DFADMP C[NH2+]CCC1CC[NH+](CC(=O)Nc2sc(C)c(C)c2C)CC1 ZINC000261972220 146313263 /nfs/dbraw/zinc/31/32/63/146313263.db2.gz DMZVLRZNKOMPDE-UHFFFAOYSA-N 2 1 323.506 2.933 20 0 DFADMP c1csc(C[N@H+](CC[C@@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261976556 146313744 /nfs/dbraw/zinc/31/37/44/146313744.db2.gz QWHCCWJNPUPOOI-CABCVRRESA-N 2 1 321.490 2.514 20 0 DFADMP c1csc(C[N@H+](CC[C@H]2CCOC2)[C@H]2CC23CC[NH2+]CC3)n1 ZINC000261976560 146313819 /nfs/dbraw/zinc/31/38/19/146313819.db2.gz QWHCCWJNPUPOOI-GJZGRUSLSA-N 2 1 321.490 2.514 20 0 DFADMP Cc1ccccc1-n1nccc1C[N@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261981709 146316004 /nfs/dbraw/zinc/31/60/04/146316004.db2.gz JFXONLJFEXMRBZ-UHFFFAOYSA-N 2 1 310.445 2.756 20 0 DFADMP FC(F)(F)c1cc([C@@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000262000936 146321404 /nfs/dbraw/zinc/32/14/04/146321404.db2.gz UCRYZIFJZFWYDD-NWDGAFQWSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cc([C@H]2CCC[N@@H+](C[C@H]3CCC[NH2+]C3)C2)[nH]n1 ZINC000262000937 146321523 /nfs/dbraw/zinc/32/15/23/146321523.db2.gz UCRYZIFJZFWYDD-RYUDHWBXSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1c[nH]c([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)n1 ZINC000262013554 146322629 /nfs/dbraw/zinc/32/26/29/146322629.db2.gz VHGBOJXNAWRDDE-LBPRGKRZSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@H]2CCC[N@H+](CC3CC[NH2+]CC3)C2)[nH]1 ZINC000262013554 146322632 /nfs/dbraw/zinc/32/26/32/146322632.db2.gz VHGBOJXNAWRDDE-LBPRGKRZSA-N 2 1 316.371 2.608 20 0 DFADMP FC(F)(F)c1cnc([C@H]2CCC[N@@H+](CC3CC[NH2+]CC3)C2)[nH]1 ZINC000262013554 146322635 /nfs/dbraw/zinc/32/26/35/146322635.db2.gz VHGBOJXNAWRDDE-LBPRGKRZSA-N 2 1 316.371 2.608 20 0 DFADMP Cn1cc(-c2ccc(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)s2)cn1 ZINC000262028084 146323416 /nfs/dbraw/zinc/32/34/16/146323416.db2.gz WVVQCVVIYBBGKC-CQSZACIVSA-N 2 1 304.463 2.723 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1OC(F)F ZINC000262019513 146324040 /nfs/dbraw/zinc/32/40/40/146324040.db2.gz XIUUNEZMECQHDE-LBPRGKRZSA-N 2 1 314.376 2.857 20 0 DFADMP Cc1cccc(-c2n[nH]cc2C[N@H+]2CCC3(C2)CC[NH2+]CC3)c1 ZINC000262042104 146326365 /nfs/dbraw/zinc/32/63/65/146326365.db2.gz PGDMLQIAKCYZKB-UHFFFAOYSA-N 2 1 310.445 2.961 20 0 DFADMP Cc1ccc(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(-c2ccnn2C)c1 ZINC000262037057 146326607 /nfs/dbraw/zinc/32/66/07/146326607.db2.gz XVCAXRHXGRHREN-INIZCTEOSA-N 2 1 312.461 2.956 20 0 DFADMP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)c(-c2cnn(C)c2)c1 ZINC000262052676 146327400 /nfs/dbraw/zinc/32/74/00/146327400.db2.gz ZTXLJFSFASGOTE-HZPDHXFCSA-N 2 1 312.461 2.955 20 0 DFADMP CC(C)Oc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000262044753 146327602 /nfs/dbraw/zinc/32/76/02/146327602.db2.gz YYGYEOWTTYHECH-GUDVDZBRSA-N 2 1 318.461 2.721 20 0 DFADMP c1cncc(COc2ccc(C[N@@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000262072661 146330095 /nfs/dbraw/zinc/33/00/95/146330095.db2.gz SEMKRHAYCDVCLJ-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP c1cncc(COc2ccc(C[N@H+]3CC[C@@]4(CC[NH2+]C4)C3)cc2)c1 ZINC000262072661 146330098 /nfs/dbraw/zinc/33/00/98/146330098.db2.gz SEMKRHAYCDVCLJ-HXUWFJFHSA-N 2 1 323.440 2.846 20 0 DFADMP [NH3+]CC[N@H+](CCc1ccccc1)Cc1cccc(-n2cccn2)c1 ZINC000262071307 146330243 /nfs/dbraw/zinc/33/02/43/146330243.db2.gz SDPMAYVFTHLOGF-UHFFFAOYSA-N 2 1 320.440 2.876 20 0 DFADMP [NH3+]CC[N@@H+](CCc1ccccc1)Cc1cccc(-n2cccn2)c1 ZINC000262071307 146330245 /nfs/dbraw/zinc/33/02/45/146330245.db2.gz SDPMAYVFTHLOGF-UHFFFAOYSA-N 2 1 320.440 2.876 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CCCN1C[C@]1(C)CC[NH2+]C1 ZINC000262101983 146332976 /nfs/dbraw/zinc/33/29/76/146332976.db2.gz VROZUGDFFWCRGV-IEBWSBKVSA-N 2 1 301.478 2.582 20 0 DFADMP Cc1ccc(C(=O)C2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc1 ZINC000262146562 146338709 /nfs/dbraw/zinc/33/87/09/146338709.db2.gz ZOVLYJLPHVKXFK-IBGZPJMESA-N 2 1 300.446 2.889 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262372777 146354878 /nfs/dbraw/zinc/35/48/78/146354878.db2.gz XPWXSDYHXDHGJM-NWANDNLSSA-N 2 1 321.852 2.646 20 0 DFADMP Cc1ccc(Cl)cc1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262372777 146354879 /nfs/dbraw/zinc/35/48/79/146354879.db2.gz XPWXSDYHXDHGJM-NWANDNLSSA-N 2 1 321.852 2.646 20 0 DFADMP CC[NH2+][C@H](C)CNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000262426072 146358963 /nfs/dbraw/zinc/35/89/63/146358963.db2.gz COBXNEHALWYEQW-OAHLLOKOSA-N 2 1 305.466 2.645 20 0 DFADMP C[C@H](CNC(=O)C1C[C@H]2CCC[C@@H](C1)C2[NH3+])[N@H+]1CCCC[C@@H]1C ZINC000262437181 146359912 /nfs/dbraw/zinc/35/99/12/146359912.db2.gz ULSUREPAFGNAGS-VBYWAMKTSA-N 2 1 321.509 2.519 20 0 DFADMP CCCOc1ccc(OCC[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)cc1 ZINC000262449749 146361036 /nfs/dbraw/zinc/36/10/36/146361036.db2.gz HPIWRVWBGZTBFI-HOTGVXAUSA-N 2 1 306.450 2.771 20 0 DFADMP C[C@@H](C(=O)Nc1ccccc1Cl)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000354490533 147056869 /nfs/dbraw/zinc/05/68/69/147056869.db2.gz HAYODNGPXUJFAF-ZDUSSCGKSA-N 2 1 323.868 2.941 20 0 DFADMP Cc1nccn1CCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494079601 543413964 /nfs/dbraw/zinc/41/39/64/543413964.db2.gz VNDWMEHADONVRA-OAHLLOKOSA-N 2 1 322.453 2.523 20 0 DFADMP Cc1[nH+]ccn1CCC[N@@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494079601 543413966 /nfs/dbraw/zinc/41/39/66/543413966.db2.gz VNDWMEHADONVRA-OAHLLOKOSA-N 2 1 322.453 2.523 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000494079601 543413969 /nfs/dbraw/zinc/41/39/69/543413969.db2.gz VNDWMEHADONVRA-OAHLLOKOSA-N 2 1 322.453 2.523 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)CCCCOC(C)(C)C)CC1 ZINC000354681511 147114536 /nfs/dbraw/zinc/11/45/36/147114536.db2.gz UWHZYGOETBTVBE-INIZCTEOSA-N 2 1 314.514 2.606 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2scnc2C2CC2)C1 ZINC000494954325 543416599 /nfs/dbraw/zinc/41/65/99/543416599.db2.gz RFBLIPNEIHHJHC-HNNXBMFYSA-N 2 1 323.506 2.953 20 0 DFADMP CC(C)[C@H]1CCC[N@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000354814127 147160530 /nfs/dbraw/zinc/16/05/30/147160530.db2.gz FBFIGJPLMNGZRF-MSOLQXFVSA-N 2 1 317.477 2.526 20 0 DFADMP CCOC(=O)c1coc(C[N@@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000354935210 147200080 /nfs/dbraw/zinc/20/00/80/147200080.db2.gz PBFSVOFFJWPNKM-UHFFFAOYSA-N 2 1 306.406 2.517 20 0 DFADMP CCOC(=O)c1coc(C[N@H+]2CCCC23CC[NH+](C)CC3)c1 ZINC000354935210 147200082 /nfs/dbraw/zinc/20/00/82/147200082.db2.gz PBFSVOFFJWPNKM-UHFFFAOYSA-N 2 1 306.406 2.517 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](C[C@@H]3CC[C@H](C)O3)C1)CCCC2 ZINC000355277348 147248978 /nfs/dbraw/zinc/24/89/78/147248978.db2.gz OEAABRYFYNVDDP-IMJJTQAJSA-N 2 1 303.450 2.885 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](C[C@@H]3CC[C@H](C)O3)C1)CCCC2 ZINC000355277348 147248981 /nfs/dbraw/zinc/24/89/81/147248981.db2.gz OEAABRYFYNVDDP-IMJJTQAJSA-N 2 1 303.450 2.885 20 0 DFADMP COc1c(O)cccc1C[N@H+]1CCC[C@@H](Cc2nccn2C)C1 ZINC000355360814 147283138 /nfs/dbraw/zinc/28/31/38/147283138.db2.gz FTJZCCWBNGUSHB-AWEZNQCLSA-N 2 1 315.417 2.589 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000355405466 147301664 /nfs/dbraw/zinc/30/16/64/147301664.db2.gz ATORFROJABYDHR-CALCHBBNSA-N 2 1 321.509 2.584 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000355411820 147305135 /nfs/dbraw/zinc/30/51/35/147305135.db2.gz KHTQEGMJHNJUQT-OAHLLOKOSA-N 2 1 311.514 2.924 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000350077875 286000258 /nfs/dbraw/zinc/00/02/58/286000258.db2.gz ORBGKQZBJXDXKL-NZSAHSFTSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000350077875 286000261 /nfs/dbraw/zinc/00/02/61/286000261.db2.gz ORBGKQZBJXDXKL-NZSAHSFTSA-N 2 1 302.462 2.792 20 0 DFADMP Cc1c[nH+]ccc1NCc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000357193331 147896636 /nfs/dbraw/zinc/89/66/36/147896636.db2.gz UGGJVLPYTKGEME-INIZCTEOSA-N 2 1 311.429 2.645 20 0 DFADMP Cc1c[nH+]ccc1NCc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000357193331 147896638 /nfs/dbraw/zinc/89/66/38/147896638.db2.gz UGGJVLPYTKGEME-INIZCTEOSA-N 2 1 311.429 2.645 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](CCc2ccc(C)cc2)C1 ZINC000350180723 286015842 /nfs/dbraw/zinc/01/58/42/286015842.db2.gz HILICBHDSACABT-IBGZPJMESA-N 2 1 304.478 2.970 20 0 DFADMP COCC[N@@H+](C)CC[C@@H](Nc1cc[nH+]c(C)c1)c1ccccc1 ZINC000357690269 148086233 /nfs/dbraw/zinc/08/62/33/148086233.db2.gz NNEBYRCAHKUAAW-LJQANCHMSA-N 2 1 313.445 2.933 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](CCOc2ccccc2F)C1 ZINC000350181950 286016546 /nfs/dbraw/zinc/01/65/46/286016546.db2.gz UYOJREVKRZASSM-MRXNPFEDSA-N 2 1 324.440 2.637 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC[N@@H+]1C ZINC000358080012 148236015 /nfs/dbraw/zinc/23/60/15/148236015.db2.gz FIOMLEDKUSDJLJ-MCIONIFRSA-N 2 1 321.852 2.518 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@H]2CC(=O)N(c3ccccc3Cl)C2)CC[N@H+]1C ZINC000358080012 148236019 /nfs/dbraw/zinc/23/60/19/148236019.db2.gz FIOMLEDKUSDJLJ-MCIONIFRSA-N 2 1 321.852 2.518 20 0 DFADMP C[N@@H+]1CCCC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000638210354 543497695 /nfs/dbraw/zinc/49/76/95/543497695.db2.gz IBCSPNQNHKQUQG-ZDUSSCGKSA-N 2 1 315.339 2.587 20 0 DFADMP C[N@H+]1CCCC[C@H]1C(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000638210354 543497699 /nfs/dbraw/zinc/49/76/99/543497699.db2.gz IBCSPNQNHKQUQG-ZDUSSCGKSA-N 2 1 315.339 2.587 20 0 DFADMP CSCC[C@@H](CO)[NH2+][C@H](C)c1ccc(-n2cc[nH+]c2C)cc1 ZINC000358315120 148326382 /nfs/dbraw/zinc/32/63/82/148326382.db2.gz GITNHLUONGBNBJ-CJNGLKHVSA-N 2 1 319.474 2.945 20 0 DFADMP O[C@H](C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21)C(F)F ZINC000358573119 148389522 /nfs/dbraw/zinc/38/95/22/148389522.db2.gz QSQPFBMBAVODFK-YLFCFFPRSA-N 2 1 324.415 2.503 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CC[NH+](C[C@@]2(O)CCCOC2)CC1 ZINC000660006762 543524109 /nfs/dbraw/zinc/52/41/09/543524109.db2.gz UGGKCUXQUBJNSC-HKUYNNGSSA-N 2 1 324.509 2.504 20 0 DFADMP Cc1ccc([C@@H](CNC(=[NH2+])N2CCC(C)CC2)[NH+]2CCCC2)o1 ZINC000261994890 292198429 /nfs/dbraw/zinc/19/84/29/292198429.db2.gz SEVLUFJGZBBSOY-MRXNPFEDSA-N 2 1 318.465 2.981 20 0 DFADMP Cc1c[nH+]ccc1OC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000660430289 543525796 /nfs/dbraw/zinc/52/57/96/543525796.db2.gz MILHDJFJYFFYMN-CVEARBPZSA-N 2 1 304.434 2.784 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+]2CCC[C@@H]2C1 ZINC000361030791 149012444 /nfs/dbraw/zinc/01/24/44/149012444.db2.gz LQORDIONKPNZNO-MDNKFWRPSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361030791 149012447 /nfs/dbraw/zinc/01/24/47/149012447.db2.gz LQORDIONKPNZNO-MDNKFWRPSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361030791 149012448 /nfs/dbraw/zinc/01/24/48/149012448.db2.gz LQORDIONKPNZNO-MDNKFWRPSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000361030791 149012450 /nfs/dbraw/zinc/01/24/50/149012450.db2.gz LQORDIONKPNZNO-MDNKFWRPSA-N 2 1 313.489 2.723 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000361030791 149012452 /nfs/dbraw/zinc/01/24/52/149012452.db2.gz LQORDIONKPNZNO-MDNKFWRPSA-N 2 1 313.489 2.723 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCCc1ccsc1 ZINC000361084883 149025808 /nfs/dbraw/zinc/02/58/08/149025808.db2.gz BVTBYMQHJVOYSS-ZACQAIPSSA-N 2 1 308.491 2.864 20 0 DFADMP C[C@@H]1C[C@@H](NCC[NH+]2CCCC2)CC[N@H+]1Cc1ccccc1 ZINC000361345144 149091840 /nfs/dbraw/zinc/09/18/40/149091840.db2.gz YCOYGDSWPOQKAV-MJGOQNOKSA-N 2 1 301.478 2.725 20 0 DFADMP CC[C@@H]([NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1)c1cccs1 ZINC000361355976 149094477 /nfs/dbraw/zinc/09/44/77/149094477.db2.gz KDDJUBRCIAQLSO-OAHLLOKOSA-N 2 1 323.506 2.732 20 0 DFADMP COc1c[nH+]ccc1N1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000361392906 149103997 /nfs/dbraw/zinc/10/39/97/149103997.db2.gz VBSZRTMKXQRWAQ-SJLPKXTDSA-N 2 1 309.413 2.768 20 0 DFADMP C[S@@](=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000361434936 149115333 /nfs/dbraw/zinc/11/53/33/149115333.db2.gz IAFSTQHXRQMTHS-MLOZMYIXSA-N 2 1 320.502 2.540 20 0 DFADMP C[S@@](=O)CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000361434936 149115335 /nfs/dbraw/zinc/11/53/35/149115335.db2.gz IAFSTQHXRQMTHS-MLOZMYIXSA-N 2 1 320.502 2.540 20 0 DFADMP CC(C)CNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361668486 149187632 /nfs/dbraw/zinc/18/76/32/149187632.db2.gz ZVBLLFKXKGDGRO-JKSUJKDBSA-N 2 1 320.481 2.632 20 0 DFADMP CC(C)CNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1Cn1cc[nH+]c1C(C)C ZINC000361668486 149187634 /nfs/dbraw/zinc/18/76/34/149187634.db2.gz ZVBLLFKXKGDGRO-JKSUJKDBSA-N 2 1 320.481 2.632 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](OC)C2(C)C)[C@@H](C)C1 ZINC000361928916 149257942 /nfs/dbraw/zinc/25/79/42/149257942.db2.gz XRKCPFWHNOAWFM-MWDXBVQZSA-N 2 1 312.498 2.527 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@H+]1C)c1ccsc1 ZINC000351250574 286117832 /nfs/dbraw/zinc/11/78/32/286117832.db2.gz JRNOZVXMLFZTAJ-JKSUJKDBSA-N 2 1 323.506 2.732 20 0 DFADMP CN(C[C@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441789 286126431 /nfs/dbraw/zinc/12/64/31/286126431.db2.gz JZIMXFCPHUILMD-FQEVSTJZSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@H+](C[C@H](O)C[NH+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441789 286126432 /nfs/dbraw/zinc/12/64/32/286126432.db2.gz JZIMXFCPHUILMD-FQEVSTJZSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441789 286126433 /nfs/dbraw/zinc/12/64/33/286126433.db2.gz JZIMXFCPHUILMD-FQEVSTJZSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@H+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441789 286126435 /nfs/dbraw/zinc/12/64/35/286126435.db2.gz JZIMXFCPHUILMD-FQEVSTJZSA-N 2 1 316.489 2.929 20 0 DFADMP C[NH+](C[C@H](O)C[N@@H+](CCc1ccccc1)C1CCCC1)C1CC1 ZINC000351441789 286126437 /nfs/dbraw/zinc/12/64/37/286126437.db2.gz JZIMXFCPHUILMD-FQEVSTJZSA-N 2 1 316.489 2.929 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2ccccc2)CC1)C1CC1 ZINC000351487695 286133352 /nfs/dbraw/zinc/13/33/52/286133352.db2.gz CIKOICBFUWFFEE-PKOBYXMFSA-N 2 1 302.462 2.711 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CCC[C@H](c2ccccc2)CC1)C1CC1 ZINC000351487695 286133353 /nfs/dbraw/zinc/13/33/53/286133353.db2.gz CIKOICBFUWFFEE-PKOBYXMFSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CCC[C@H](c2ccccc2)CC1)C1CC1 ZINC000351487695 286133354 /nfs/dbraw/zinc/13/33/54/286133354.db2.gz CIKOICBFUWFFEE-PKOBYXMFSA-N 2 1 302.462 2.711 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CCC[C@H](c2ccccc2)CC1)C1CC1 ZINC000351487695 286133356 /nfs/dbraw/zinc/13/33/56/286133356.db2.gz CIKOICBFUWFFEE-PKOBYXMFSA-N 2 1 302.462 2.711 20 0 DFADMP COc1ccc(-c2cnc(C[N@@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000351494129 286135114 /nfs/dbraw/zinc/13/51/14/286135114.db2.gz NLQSHABKRDFJLR-BPUTZDHNSA-N 2 1 313.401 2.519 20 0 DFADMP COc1ccc(-c2cnc(C[N@H+]3C[C@@H]4CC[C@H]([NH3+])[C@H]4C3)o2)cc1 ZINC000351494129 286135115 /nfs/dbraw/zinc/13/51/15/286135115.db2.gz NLQSHABKRDFJLR-BPUTZDHNSA-N 2 1 313.401 2.519 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000351498874 286136365 /nfs/dbraw/zinc/13/63/65/286136365.db2.gz WKSYVHPHRDOOKJ-SDADXPQNSA-N 2 1 312.417 2.775 20 0 DFADMP Cc1ccccc1-c1noc([C@H](C)[N@H+]2C[C@@H]3CC[C@H]([NH3+])[C@H]3C2)n1 ZINC000351498874 286136367 /nfs/dbraw/zinc/13/63/67/286136367.db2.gz WKSYVHPHRDOOKJ-SDADXPQNSA-N 2 1 312.417 2.775 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519218 286141399 /nfs/dbraw/zinc/14/13/99/286141399.db2.gz ODMJTPWRALMFCS-AYOQOUSVSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H](O)C[NH+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519218 286141400 /nfs/dbraw/zinc/14/14/00/286141400.db2.gz ODMJTPWRALMFCS-AYOQOUSVSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519218 286141401 /nfs/dbraw/zinc/14/14/01/286141401.db2.gz ODMJTPWRALMFCS-AYOQOUSVSA-N 2 1 302.462 2.567 20 0 DFADMP C[C@@H]1C[NH+](C[C@@H](O)C[N@@H+](C)C2CC2)CC[C@H]1c1ccccc1 ZINC000351519218 286141402 /nfs/dbraw/zinc/14/14/02/286141402.db2.gz ODMJTPWRALMFCS-AYOQOUSVSA-N 2 1 302.462 2.567 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@H+]2CCSc1ccccc1 ZINC000371292454 150016573 /nfs/dbraw/zinc/01/65/73/150016573.db2.gz CAWJPZGEXNDNQI-NJAFHUGGSA-N 2 1 320.502 2.962 20 0 DFADMP Cc1cccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C(C)C)CC3)C2)c1C ZINC000371338220 150026826 /nfs/dbraw/zinc/02/68/26/150026826.db2.gz ZNDGRYVQQNZQJO-HXUWFJFHSA-N 2 1 315.505 2.904 20 0 DFADMP Cn1cc(-c2ccccc2C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cn1 ZINC000371429399 150045394 /nfs/dbraw/zinc/04/53/94/150045394.db2.gz DBQRXGDJDJPVAJ-ZWKOTPCHSA-N 2 1 310.445 2.804 20 0 DFADMP Cc1cc(F)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371469560 150052124 /nfs/dbraw/zinc/05/21/24/150052124.db2.gz FSYIVARQUJFBGX-KZNAEPCWSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(F)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000371469560 150052127 /nfs/dbraw/zinc/05/21/27/150052127.db2.gz FSYIVARQUJFBGX-KZNAEPCWSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(C[N@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1F ZINC000371468839 150052351 /nfs/dbraw/zinc/05/23/51/150052351.db2.gz BSCCYZJYZMLPMP-CGTJXYLNSA-N 2 1 306.425 2.818 20 0 DFADMP Cc1cc(C[N@@H+]2CCO[C@@H]3C[C@@H]([NH+](C)C)CC[C@H]32)ccc1F ZINC000371468839 150052352 /nfs/dbraw/zinc/05/23/52/150052352.db2.gz BSCCYZJYZMLPMP-CGTJXYLNSA-N 2 1 306.425 2.818 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]CCc4cnccn4)[C@H]3C2)cc1 ZINC000371665299 150077688 /nfs/dbraw/zinc/07/76/88/150077688.db2.gz LSBZPLLZCAQDBI-YSIASYRMSA-N 2 1 322.456 2.519 20 0 DFADMP C[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)N1CCC2(CCC[N@H+]2C)CC1 ZINC000371689006 150081537 /nfs/dbraw/zinc/08/15/37/150081537.db2.gz LVTGTEFPECCYDL-IXDOHACOSA-N 2 1 321.509 2.725 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]C[C@@]1(C)CCCS1 ZINC000372061006 150130887 /nfs/dbraw/zinc/13/08/87/150130887.db2.gz YQIUZQPPAAWUFD-YYIAUSFCSA-N 2 1 312.523 2.751 20 0 DFADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@@H+]1CCCn1cc[nH+]c1C ZINC000372254264 150153820 /nfs/dbraw/zinc/15/38/20/150153820.db2.gz DZMNJCWXYYKUSG-MRXNPFEDSA-N 2 1 301.438 2.769 20 0 DFADMP Cc1nn(C)c(C)c1[C@H]1CCC[N@H+]1CCCn1cc[nH+]c1C ZINC000372254264 150153823 /nfs/dbraw/zinc/15/38/23/150153823.db2.gz DZMNJCWXYYKUSG-MRXNPFEDSA-N 2 1 301.438 2.769 20 0 DFADMP C[C@H]([NH2+]CCc1cnccn1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000372355319 150166583 /nfs/dbraw/zinc/16/65/83/150166583.db2.gz LOTQDJORXWGBDV-WMZOPIPTSA-N 2 1 310.445 2.519 20 0 DFADMP CSC[C@H](O)C[N@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000372922627 150202912 /nfs/dbraw/zinc/20/29/12/150202912.db2.gz IZPBODNYYUMFEB-QZTJIDSGSA-N 2 1 322.518 2.697 20 0 DFADMP CSC[C@H](O)C[NH+]1CCC[C@@H]([N@H+](C)Cc2ccccc2)CC1 ZINC000372922627 150202914 /nfs/dbraw/zinc/20/29/14/150202914.db2.gz IZPBODNYYUMFEB-QZTJIDSGSA-N 2 1 322.518 2.697 20 0 DFADMP CSC[C@H](O)C[NH+]1CCC[C@@H]([N@@H+](C)Cc2ccccc2)CC1 ZINC000372922627 150202916 /nfs/dbraw/zinc/20/29/16/150202916.db2.gz IZPBODNYYUMFEB-QZTJIDSGSA-N 2 1 322.518 2.697 20 0 DFADMP O=C1O[C@H](C[N@@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC12CC2 ZINC000373030952 150219396 /nfs/dbraw/zinc/21/93/96/150219396.db2.gz XGZAWUOWGNHZHI-SJORKVTESA-N 2 1 320.477 2.670 20 0 DFADMP O=C1O[C@H](C[N@H+]2CCC[C@H](C[NH+]3CCCCCC3)C2)CC12CC2 ZINC000373030952 150219399 /nfs/dbraw/zinc/21/93/99/150219399.db2.gz XGZAWUOWGNHZHI-SJORKVTESA-N 2 1 320.477 2.670 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+]C(C3CC3)C3CC3)C2)nc(C)[nH+]1 ZINC000373192471 150243989 /nfs/dbraw/zinc/24/39/89/150243989.db2.gz VFWITRKEGNNHTO-INIZCTEOSA-N 2 1 300.450 2.840 20 0 DFADMP CCCCCNC(=O)C1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000351615448 286170692 /nfs/dbraw/zinc/17/06/92/286170692.db2.gz MWQAKMQULQFNGY-GOSISDBHSA-N 2 1 323.525 2.879 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374014996 150293476 /nfs/dbraw/zinc/29/34/76/150293476.db2.gz RODRNXQWTSDMFB-RYRKJORJSA-N 2 1 321.465 2.630 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1C[C@H](C)O[C@]2(CCO[C@H](C)C2)C1 ZINC000374014996 150293480 /nfs/dbraw/zinc/29/34/80/150293480.db2.gz RODRNXQWTSDMFB-RYRKJORJSA-N 2 1 321.465 2.630 20 0 DFADMP C[N@H+](C[C@@H]1CC12CC[NH+](Cc1nc(C3CC3)no1)CC2)C1CC1 ZINC000374318377 150343411 /nfs/dbraw/zinc/34/34/11/150343411.db2.gz QPHRQBCCGIIPAG-AWEZNQCLSA-N 2 1 316.449 2.643 20 0 DFADMP C[N@@H+](C[C@@H]1CC12CC[NH+](Cc1nc(C3CC3)no1)CC2)C1CC1 ZINC000374318377 150343413 /nfs/dbraw/zinc/34/34/13/150343413.db2.gz QPHRQBCCGIIPAG-AWEZNQCLSA-N 2 1 316.449 2.643 20 0 DFADMP Cc1cccc(OCC[N@@H+]2CCO[C@@H]3C[C@H]([NH+](C)C)CC[C@H]32)c1 ZINC000374426279 150364854 /nfs/dbraw/zinc/36/48/54/150364854.db2.gz DBFIJHUSSQKPKA-BHIYHBOVSA-N 2 1 318.461 2.557 20 0 DFADMP Cc1cc2c(cc1C)[C@@H]([NH2+]C[C@@H](O)C[NH+]1CCCC1)CCS2 ZINC000427618108 296661529 /nfs/dbraw/zinc/66/15/29/296661529.db2.gz MGAFSBUQGABENP-WBVHZDCISA-N 2 1 320.502 2.887 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000352070711 286284984 /nfs/dbraw/zinc/28/49/84/286284984.db2.gz CGTCJMSJXCIJDJ-UHFFFAOYSA-N 2 1 310.445 2.804 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352108721 286294108 /nfs/dbraw/zinc/29/41/08/286294108.db2.gz ZABCEVOAEKUYLJ-AYBZRNKSSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)CC[N@H+]1C[C@@H](O)C[NH+](C)C1CC1 ZINC000352108721 286294109 /nfs/dbraw/zinc/29/41/09/286294109.db2.gz ZABCEVOAEKUYLJ-AYBZRNKSSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@H+](C)C1CC1 ZINC000352108721 286294111 /nfs/dbraw/zinc/29/41/11/286294111.db2.gz ZABCEVOAEKUYLJ-AYBZRNKSSA-N 2 1 302.462 2.710 20 0 DFADMP C[C@@H]1C[C@@H](c2ccccc2)CC[NH+]1C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000352108721 286294112 /nfs/dbraw/zinc/29/41/12/286294112.db2.gz ZABCEVOAEKUYLJ-AYBZRNKSSA-N 2 1 302.462 2.710 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000317830423 292260269 /nfs/dbraw/zinc/26/02/69/292260269.db2.gz WHZGXWJCGXCCCW-QRVBRYPASA-N 2 1 300.446 2.899 20 0 DFADMP Cc1ccc([C@H]([NH2+]C[C@@H]2C[N@H+]3CCC[C@@H]3CO2)C2CC2)cc1 ZINC000317830423 292260270 /nfs/dbraw/zinc/26/02/70/292260270.db2.gz WHZGXWJCGXCCCW-QRVBRYPASA-N 2 1 300.446 2.899 20 0 DFADMP CCC[C@H]([NH2+]C(C)C)C(=O)N[C@@H](C)C[N@@H+]1C[C@H](C)C[C@H](C)C1 ZINC000352179577 286312985 /nfs/dbraw/zinc/31/29/85/286312985.db2.gz ZHSIZQOGNRXTOJ-YVSFHVDLSA-N 2 1 311.514 2.636 20 0 DFADMP CN(CCC[NH2+]Cc1ncc(C[NH+](C)C)s1)c1ccccc1 ZINC000352240771 286326623 /nfs/dbraw/zinc/32/66/23/286326623.db2.gz IRNJZVUHOIGIPX-UHFFFAOYSA-N 2 1 318.490 2.821 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000271586629 286377032 /nfs/dbraw/zinc/37/70/32/286377032.db2.gz XPCLERFQMXSRSQ-YQYZPQCESA-N 2 1 306.450 2.844 20 0 DFADMP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000271586629 286377033 /nfs/dbraw/zinc/37/70/33/286377033.db2.gz XPCLERFQMXSRSQ-YQYZPQCESA-N 2 1 306.450 2.844 20 0 DFADMP COc1ccc([C@H]2CCC[N@H+]2C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000261893620 286378259 /nfs/dbraw/zinc/37/82/59/286378259.db2.gz UMNQNOBUWZBHCC-CRAIPNDOSA-N 2 1 304.434 2.840 20 0 DFADMP CN(C(=O)C[N@@H+](CCC[NH3+])CC1CCCC1)C1CCCCC1 ZINC000352487771 286386255 /nfs/dbraw/zinc/38/62/55/286386255.db2.gz IVRKCXNARGIFRO-UHFFFAOYSA-N 2 1 309.498 2.619 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@@H+]2CC(C)C)C12CCOCC2 ZINC000186430624 286390760 /nfs/dbraw/zinc/39/07/60/286390760.db2.gz KNEUOJWOSSZHGA-FGTMMUONSA-N 2 1 324.509 2.671 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCC[N@H+]2CC(C)C)C12CCOCC2 ZINC000186430624 286390761 /nfs/dbraw/zinc/39/07/61/286390761.db2.gz KNEUOJWOSSZHGA-FGTMMUONSA-N 2 1 324.509 2.671 20 0 DFADMP COc1ccccc1OCC[N@@H+](CCC[NH3+])CC1CCCC1 ZINC000352503623 286391032 /nfs/dbraw/zinc/39/10/32/286391032.db2.gz IHBVQLKSEHAHSD-UHFFFAOYSA-N 2 1 306.450 2.915 20 0 DFADMP CC(C)(C)OC1CC([NH2+]CC2([NH+]3CCCC3)CCOCC2)C1 ZINC000352682675 286439852 /nfs/dbraw/zinc/43/98/52/286439852.db2.gz GLKMWDJJLVVUFC-UHFFFAOYSA-N 2 1 310.482 2.567 20 0 DFADMP C[NH+](C)Cc1cnc(C[NH2+][C@H]2C[C@H]2Cc2ccccc2)s1 ZINC000352776622 286464471 /nfs/dbraw/zinc/46/44/71/286464471.db2.gz UAOCZRXXEBDUGP-ZBFHGGJFSA-N 2 1 301.459 2.926 20 0 DFADMP [NH3+]CC1(CC(=O)N[C@H]2CC[N@@H+](CC3CCCC3)C2)CCCCC1 ZINC000184239536 158030460 /nfs/dbraw/zinc/03/04/60/158030460.db2.gz JTDPNFVURPJNSZ-KRWDZBQOSA-N 2 1 321.509 2.666 20 0 DFADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000185445018 158058607 /nfs/dbraw/zinc/05/86/07/158058607.db2.gz IPNLSFOGODASTI-DOTOQJQBSA-N 2 1 307.507 2.911 20 0 DFADMP C[C@@H](c1ccsc1)[NH+]1CCN(CC[C@H]2CCC[N@H+]2C)CC1 ZINC000185445018 158058611 /nfs/dbraw/zinc/05/86/11/158058611.db2.gz IPNLSFOGODASTI-DOTOQJQBSA-N 2 1 307.507 2.911 20 0 DFADMP CCCNC(=O)[C@@H](C)[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000245951498 158082311 /nfs/dbraw/zinc/08/23/11/158082311.db2.gz BDNWULBNMGSZNC-IAGOWNOFSA-N 2 1 323.525 2.878 20 0 DFADMP COc1ccc(COCC[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000246363675 158088827 /nfs/dbraw/zinc/08/88/27/158088827.db2.gz XQJSLOFJDCDBOI-HDMKZQKVSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000246460418 158092378 /nfs/dbraw/zinc/09/23/78/158092378.db2.gz YVZJAPUXWUBQST-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000246460418 158092379 /nfs/dbraw/zinc/09/23/79/158092379.db2.gz YVZJAPUXWUBQST-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000246460418 158092380 /nfs/dbraw/zinc/09/23/80/158092380.db2.gz YVZJAPUXWUBQST-NEPXVJNWSA-N 2 1 301.478 2.579 20 0 DFADMP CCOc1ccc(OCC[N@@H+](C)[C@@H]2CCN(C)[C@@H](C)C2)cc1 ZINC000246978974 158111151 /nfs/dbraw/zinc/11/11/51/158111151.db2.gz SGNAVPHLYMNUOK-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[N@H+](C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000246978974 158111155 /nfs/dbraw/zinc/11/11/55/158111155.db2.gz SGNAVPHLYMNUOK-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CCOc1ccc(OCC[NH+](C)[C@@H]2CC[N@@H+](C)[C@@H](C)C2)cc1 ZINC000246978974 158111167 /nfs/dbraw/zinc/11/11/67/158111167.db2.gz SGNAVPHLYMNUOK-JKSUJKDBSA-N 2 1 306.450 2.879 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OCCOC)cc2)C1 ZINC000247060577 158116191 /nfs/dbraw/zinc/11/61/91/158116191.db2.gz NTSFWCVSBZYTRF-HZPDHXFCSA-N 2 1 306.450 2.704 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC[N@@H+]1C ZINC000247184225 158122488 /nfs/dbraw/zinc/12/24/88/158122488.db2.gz UAVYRYWUCMWJMH-RDBSUJKOSA-N 2 1 309.404 2.616 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)CC[N@H+]1C ZINC000247184225 158122490 /nfs/dbraw/zinc/12/24/90/158122490.db2.gz UAVYRYWUCMWJMH-RDBSUJKOSA-N 2 1 309.404 2.616 20 0 DFADMP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2CCC[N@H+]2C[C@H]1C ZINC000247503282 158140339 /nfs/dbraw/zinc/14/03/39/158140339.db2.gz VFOJMGDSNIQSSY-SJORKVTESA-N 2 1 309.498 2.584 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)[C@H](C)C3)C2)c1 ZINC000247923370 158151714 /nfs/dbraw/zinc/15/17/14/158151714.db2.gz BJTBCAGLNZCNKU-IKGGRYGDSA-N 2 1 317.477 2.736 20 0 DFADMP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@@H+](C)[C@H](C)C3)C2)c1 ZINC000247923370 158151715 /nfs/dbraw/zinc/15/17/15/158151715.db2.gz BJTBCAGLNZCNKU-IKGGRYGDSA-N 2 1 317.477 2.736 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCCn2cnc3ccccc32)[C@@H](C)C1 ZINC000247885233 158152266 /nfs/dbraw/zinc/15/22/66/158152266.db2.gz CVWASGWDYBWCLM-JKSUJKDBSA-N 2 1 300.450 2.746 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@H]2C)ccc1OC ZINC000247953225 158153272 /nfs/dbraw/zinc/15/32/72/158153272.db2.gz FGICBCFJOOMQPK-IJEWVQPXSA-N 2 1 306.450 2.912 20 0 DFADMP CCOc1cc(C[NH2+][C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)ccc1OC ZINC000247953225 158153274 /nfs/dbraw/zinc/15/32/74/158153274.db2.gz FGICBCFJOOMQPK-IJEWVQPXSA-N 2 1 306.450 2.912 20 0 DFADMP C[N@H+]1CC[C@H](NC(=O)c2ccc3nccn3c2)[C@H]1c1ccccc1 ZINC000248040657 158158423 /nfs/dbraw/zinc/15/84/23/158158423.db2.gz LZHCLZZGSFIGHC-FUHWJXTLSA-N 2 1 320.396 2.510 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@H]3[C@@H](CCC[NH+]3C)C2)cc1 ZINC000248122493 158161742 /nfs/dbraw/zinc/16/17/42/158161742.db2.gz NNVNLOFZJCVVNO-LPHOPBHVSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000248149434 158162809 /nfs/dbraw/zinc/16/28/09/158162809.db2.gz QOOKXQYMRZFHIO-VQIMIIECSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000248149434 158162810 /nfs/dbraw/zinc/16/28/10/158162810.db2.gz QOOKXQYMRZFHIO-VQIMIIECSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc(OCCC[NH+]2CC[C@@H]3[C@H](CCC[N@H+]3C)C2)cc1 ZINC000248149434 158162812 /nfs/dbraw/zinc/16/28/12/158162812.db2.gz QOOKXQYMRZFHIO-VQIMIIECSA-N 2 1 318.461 2.880 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+]2CCC[C@H]2CO)cc1F ZINC000248179766 158164293 /nfs/dbraw/zinc/16/42/93/158164293.db2.gz WFFJSULRNCERRF-ZBFHGGJFSA-N 2 1 324.440 2.722 20 0 DFADMP CC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000248417951 158174116 /nfs/dbraw/zinc/17/41/16/158174116.db2.gz RTVHIXHQPCSCDJ-MKXGPGLRSA-N 2 1 302.462 2.648 20 0 DFADMP OCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000248446496 158177329 /nfs/dbraw/zinc/17/73/29/158177329.db2.gz COZZQGNWKIMAEB-GUDVDZBRSA-N 2 1 314.473 2.649 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000248456931 158177572 /nfs/dbraw/zinc/17/75/72/158177572.db2.gz SPRXUFCYFJDWIL-WMLDXEAASA-N 2 1 300.402 2.697 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)c1ccco1 ZINC000248456931 158177573 /nfs/dbraw/zinc/17/75/73/158177573.db2.gz SPRXUFCYFJDWIL-WMLDXEAASA-N 2 1 300.402 2.697 20 0 DFADMP CCN1CC[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)CCc1ccccc1 ZINC000248566497 158184485 /nfs/dbraw/zinc/18/44/85/158184485.db2.gz KYEKZLWJUXVEFA-QYZOEREBSA-N 2 1 302.462 2.539 20 0 DFADMP C[C@H](O)[C@@](C)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C)Cc1ccccc1 ZINC000248755883 158200762 /nfs/dbraw/zinc/20/07/62/158200762.db2.gz CQPBSZMDDBEHBO-QFMLELGNSA-N 2 1 316.489 2.831 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000354919009 158244978 /nfs/dbraw/zinc/24/49/78/158244978.db2.gz WCLLHEGCAACJGI-QGZVFWFLSA-N 2 1 321.509 2.655 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@H+]1CC=C(C(C)(C)C)CC1 ZINC000354919009 158244981 /nfs/dbraw/zinc/24/49/81/158244981.db2.gz WCLLHEGCAACJGI-QGZVFWFLSA-N 2 1 321.509 2.655 20 0 DFADMP CC[NH+]1CCCC[C@@H]1C(=O)NCC[N@@H+]1CC=C(C(C)(C)C)CC1 ZINC000354919009 158244982 /nfs/dbraw/zinc/24/49/82/158244982.db2.gz WCLLHEGCAACJGI-QGZVFWFLSA-N 2 1 321.509 2.655 20 0 DFADMP C[NH+](C)CCc1ccccc1NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356893400 158318809 /nfs/dbraw/zinc/31/88/09/158318809.db2.gz PLGJFYDISWBDSF-QGZVFWFLSA-N 2 1 317.477 2.994 20 0 DFADMP Cc1ccc(N2CCC([NH2+][C@@H](C)[C@@H]3CCCOC3)CC2)[nH+]c1 ZINC000356903489 158320407 /nfs/dbraw/zinc/32/04/07/158320407.db2.gz RYXQCISDSRFWOJ-JKSUJKDBSA-N 2 1 303.450 2.764 20 0 DFADMP c1cn(-c2ccccc2)c(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)n1 ZINC000357060992 158359110 /nfs/dbraw/zinc/35/91/10/158359110.db2.gz YVRIYIDCLCFLCM-QGZVFWFLSA-N 2 1 310.445 2.694 20 0 DFADMP CCCCc1noc([C@H](C)[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)n1 ZINC000357086039 158362470 /nfs/dbraw/zinc/36/24/70/158362470.db2.gz RFTVUQPWKJAGRC-ZFWWWQNUSA-N 2 1 306.454 2.795 20 0 DFADMP COc1ccc(OCCC[N@H+]2CCC3(C2)CC[NH2+]CC3)cc1 ZINC000358505564 158383508 /nfs/dbraw/zinc/38/35/08/158383508.db2.gz KCZJNLLPUIMVTA-UHFFFAOYSA-N 2 1 304.434 2.540 20 0 DFADMP CC(C)(C)[C@H](NC(=O)C[NH+]1CCC(C[NH3+])CC1)c1cccs1 ZINC000430642979 296802212 /nfs/dbraw/zinc/80/22/12/296802212.db2.gz WGSWWOIDUKQESW-MRXNPFEDSA-N 2 1 323.506 2.622 20 0 DFADMP C[C@@H]([NH3+])C1CC[NH+]([C@@H](C)c2nc(Cc3ccccc3)no2)CC1 ZINC000430950869 296814591 /nfs/dbraw/zinc/81/45/91/296814591.db2.gz JJGNAUUNHJNNRP-KGLIPLIRSA-N 2 1 314.433 2.781 20 0 DFADMP C[NH2+]C1CC[NH+](CCC(=O)Nc2cccc3ccccc32)CC1 ZINC000430952401 296814618 /nfs/dbraw/zinc/81/46/18/296814618.db2.gz PUMVGCQLSZRDQS-UHFFFAOYSA-N 2 1 311.429 2.852 20 0 DFADMP CO[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441341966 297180104 /nfs/dbraw/zinc/18/01/04/297180104.db2.gz QJOGINBCJSRJSX-HMBYZQHASA-N 2 1 310.482 2.541 20 0 DFADMP CO[C@@H]1CC[N@@H+](C/C=C\C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441341966 297180106 /nfs/dbraw/zinc/18/01/06/297180106.db2.gz QJOGINBCJSRJSX-HMBYZQHASA-N 2 1 310.482 2.541 20 0 DFADMP CO[C@@H]1CC[N@H+](C/C=C\C[NH+]2CC[C@H](OC)C[C@@H]2C)[C@H](C)C1 ZINC000441341966 297180108 /nfs/dbraw/zinc/18/01/08/297180108.db2.gz QJOGINBCJSRJSX-HMBYZQHASA-N 2 1 310.482 2.541 20 0 DFADMP COc1ccc(O[C@H](C)C[NH2+][C@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)cc1 ZINC000129016078 196012336 /nfs/dbraw/zinc/01/23/36/196012336.db2.gz UPTUBLZILRVHAD-ADAWSYLGSA-N 2 1 306.450 2.781 20 0 DFADMP Fc1ccc(Br)cc1C[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000129180903 196026674 /nfs/dbraw/zinc/02/66/74/196026674.db2.gz GNELTTCRMYJLCE-GFCCVEGCSA-N 2 1 301.203 2.820 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000129584580 196059456 /nfs/dbraw/zinc/05/94/56/196059456.db2.gz FYIPUUHHMYPZEL-QKPAOTATSA-N 2 1 306.450 2.781 20 0 DFADMP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000131829781 196202491 /nfs/dbraw/zinc/20/24/91/196202491.db2.gz NBQOWEQAPIBCSY-MQVJKMGUSA-N 2 1 304.434 2.809 20 0 DFADMP CC(C)n1cc([C@H](C)[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cn1 ZINC000133125493 196313649 /nfs/dbraw/zinc/31/36/49/196313649.db2.gz QYZWWTPKEFUVGZ-HOTGVXAUSA-N 2 1 320.481 2.616 20 0 DFADMP Cc1cc(N(CC[NH+](C)C)Cc2cccc(F)c2)nc(C)[nH+]1 ZINC000133322951 196329482 /nfs/dbraw/zinc/32/94/82/196329482.db2.gz LYUZCBHJMGLZHH-UHFFFAOYSA-N 2 1 302.397 2.801 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@H](C)C1 ZINC000368051550 287307520 /nfs/dbraw/zinc/30/75/20/287307520.db2.gz NPRUBKIBVFYDCJ-KURKYZTESA-N 2 1 307.526 2.913 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000667884983 543697984 /nfs/dbraw/zinc/69/79/84/543697984.db2.gz IPXQCUKADQFURH-LZLYRXPVSA-N 2 1 320.477 2.715 20 0 DFADMP COCCc1ccc(OC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1 ZINC000667884983 543697987 /nfs/dbraw/zinc/69/79/87/543697987.db2.gz IPXQCUKADQFURH-LZLYRXPVSA-N 2 1 320.477 2.715 20 0 DFADMP CC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667681955 543658368 /nfs/dbraw/zinc/65/83/68/543658368.db2.gz WDFVAVQRQQYSAM-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[N@@H+](C)C[C@@H]1CC[NH+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667681955 543658371 /nfs/dbraw/zinc/65/83/71/543658371.db2.gz WDFVAVQRQQYSAM-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667681955 543658373 /nfs/dbraw/zinc/65/83/73/543658373.db2.gz WDFVAVQRQQYSAM-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP CC[NH+](C)C[C@@H]1CC[N@@H+](Cc2ccc(O[C@H](C)COC)cc2)C1 ZINC000667681955 543658375 /nfs/dbraw/zinc/65/83/75/543658375.db2.gz WDFVAVQRQQYSAM-AEFFLSMTSA-N 2 1 320.477 2.874 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@H]3CCC[C@@H]4C[C@@H]43)CC2)nc(C)[nH+]1 ZINC000667934434 543706278 /nfs/dbraw/zinc/70/62/78/543706278.db2.gz KBLMICQQFMZPTI-PVAVHDDUSA-N 2 1 300.450 2.840 20 0 DFADMP Cc1nn(-c2ccccc2Cl)cc1C[N@@H+](C)CC1CN(C)C1 ZINC000668538532 543821368 /nfs/dbraw/zinc/82/13/68/543821368.db2.gz BVBCIRXOYIZKEK-UHFFFAOYSA-N 2 1 318.852 2.828 20 0 DFADMP Cc1nn(-c2ccccc2Cl)cc1C[N@H+](C)CC1CN(C)C1 ZINC000668538532 543821370 /nfs/dbraw/zinc/82/13/70/543821370.db2.gz BVBCIRXOYIZKEK-UHFFFAOYSA-N 2 1 318.852 2.828 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000668784297 543866893 /nfs/dbraw/zinc/86/68/93/543866893.db2.gz ARORXZBNVZNVIZ-AJNOYIKESA-N 2 1 306.425 2.882 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](C/C=C\c2ccc(F)cc2)CCO1 ZINC000668784297 543866894 /nfs/dbraw/zinc/86/68/94/543866894.db2.gz ARORXZBNVZNVIZ-AJNOYIKESA-N 2 1 306.425 2.882 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@H+](Cc2ccc3occc3c2)CCO1 ZINC000668785375 543867717 /nfs/dbraw/zinc/86/77/17/543867717.db2.gz PEAPJNZTUAOCKR-QGZVFWFLSA-N 2 1 302.418 2.975 20 0 DFADMP C[NH+](C)CCC[C@@H]1C[N@@H+](Cc2ccc3occc3c2)CCO1 ZINC000668785375 543867721 /nfs/dbraw/zinc/86/77/21/543867721.db2.gz PEAPJNZTUAOCKR-QGZVFWFLSA-N 2 1 302.418 2.975 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H]3CCC34CCC4)C2)nc(C)[nH+]1 ZINC000669702199 543986116 /nfs/dbraw/zinc/98/61/16/543986116.db2.gz CCNXETDYBNPFIQ-HZPDHXFCSA-N 2 1 300.450 2.985 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]C[C@@H]2OCCc3ccccc32)[C@@H]2CCC[C@@H]21 ZINC000671751999 544106271 /nfs/dbraw/zinc/10/62/71/544106271.db2.gz KAYDXVMETPQGPE-VJANTYMQSA-N 2 1 300.446 2.763 20 0 DFADMP Cc1[nH+]ccn1CC(=O)Nc1cccc2c1C[N@H+](CC(C)C)C2 ZINC000297340571 227035087 /nfs/dbraw/zinc/03/50/87/227035087.db2.gz HCXPYLFDYNXFSC-UHFFFAOYSA-N 2 1 312.417 2.802 20 0 DFADMP Cc1[nH+]ccn1CC(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2 ZINC000297340571 227035092 /nfs/dbraw/zinc/03/50/92/227035092.db2.gz HCXPYLFDYNXFSC-UHFFFAOYSA-N 2 1 312.417 2.802 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@H+]2C)C1 ZINC000672868868 544157808 /nfs/dbraw/zinc/15/78/08/544157808.db2.gz VJRPFBIHPRXQLM-IAGOWNOFSA-N 2 1 318.465 2.620 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000672868868 544157811 /nfs/dbraw/zinc/15/78/11/544157811.db2.gz VJRPFBIHPRXQLM-IAGOWNOFSA-N 2 1 318.465 2.620 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@@H]2CN1C(=O)CC[C@H]1CCCC[NH+]1C ZINC000672987680 544163561 /nfs/dbraw/zinc/16/35/61/544163561.db2.gz GZUIGWWYIRJQPV-KZNAEPCWSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000672987680 544163562 /nfs/dbraw/zinc/16/35/62/544163562.db2.gz GZUIGWWYIRJQPV-KZNAEPCWSA-N 2 1 321.509 2.726 20 0 DFADMP CC[C@@H]1C[NH+]2CCCC[C@@H]2CN1C(=O)CC[C@H]1CCCC[N@H+]1C ZINC000672987680 544163563 /nfs/dbraw/zinc/16/35/63/544163563.db2.gz GZUIGWWYIRJQPV-KZNAEPCWSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](C)[C@H](CNC(=O)[C@H]1CCCC[N@H+]1C)c1ccc(Cl)cc1 ZINC000673749908 544195917 /nfs/dbraw/zinc/19/59/17/544195917.db2.gz QZWNSKZQUGKYJV-HZPDHXFCSA-N 2 1 323.868 2.543 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291288922 222287120 /nfs/dbraw/zinc/28/71/20/222287120.db2.gz ZLKLPDVBRPPRNU-LPHOPBHVSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCO1 ZINC000291288919 222288424 /nfs/dbraw/zinc/28/84/24/222288424.db2.gz ZLKLPDVBRPPRNU-APWZRJJASA-N 2 1 302.462 2.851 20 0 DFADMP CC[C@@H](O)C[N@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000291415430 222375755 /nfs/dbraw/zinc/37/57/55/222375755.db2.gz HCBOPLOSEAVGCB-GOSISDBHSA-N 2 1 302.462 2.745 20 0 DFADMP C[C@H]1CN(Cc2ccccc2)CCC[N@H+]1CC1CC[NH2+]CC1 ZINC000297451767 227181907 /nfs/dbraw/zinc/18/19/07/227181907.db2.gz QGZZSYVLVSQHJM-KRWDZBQOSA-N 2 1 301.478 2.582 20 0 DFADMP FC(F)(F)c1ccnc(CC[NH2+]C2CC[NH+](C3CC3)CC2)c1 ZINC000297466409 227206683 /nfs/dbraw/zinc/20/66/83/227206683.db2.gz QQVMQRINAULXII-UHFFFAOYSA-N 2 1 313.367 2.859 20 0 DFADMP CC[NH+](CC)[C@@H](C(=O)N[C@H]1C[N@@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000674844387 544268958 /nfs/dbraw/zinc/26/89/58/544268958.db2.gz MYNJVEXZWCDRIO-RYQLBKOJSA-N 2 1 317.477 2.526 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491111 544315875 /nfs/dbraw/zinc/31/58/75/544315875.db2.gz PEKDKQMKPCITOE-CEXWTWQISA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491111 544315878 /nfs/dbraw/zinc/31/58/78/544315878.db2.gz PEKDKQMKPCITOE-CEXWTWQISA-N 2 1 313.489 2.929 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1C[C@H]2CN(c3ccccc3)C[C@H]2C1 ZINC000675491111 544315881 /nfs/dbraw/zinc/31/58/81/544315881.db2.gz PEKDKQMKPCITOE-CEXWTWQISA-N 2 1 313.489 2.929 20 0 DFADMP CC[NH+]1CCC([NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000675793418 544337017 /nfs/dbraw/zinc/33/70/17/544337017.db2.gz FPELINPKEPAGGJ-UHFFFAOYSA-N 2 1 317.477 2.738 20 0 DFADMP CC[C@@H](Cc1cccs1)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000675821683 544338870 /nfs/dbraw/zinc/33/88/70/544338870.db2.gz LOPANYMUHPKYID-INIZCTEOSA-N 2 1 309.523 2.686 20 0 DFADMP CC1(C)C[C@H]([NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)C(C)(C)O1 ZINC000675882345 544341292 /nfs/dbraw/zinc/34/12/92/544341292.db2.gz RABHVVPHNHDADB-CVEARBPZSA-N 2 1 310.482 2.566 20 0 DFADMP C[C@H](CCc1ccco1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000675881969 544341365 /nfs/dbraw/zinc/34/13/65/544341365.db2.gz OIIFYMGSQGVIMG-CRAIPNDOSA-N 2 1 306.450 2.834 20 0 DFADMP C[C@@H](CC1CCC1)[NH2+]C[C@@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000675897980 544342938 /nfs/dbraw/zinc/34/29/38/544342938.db2.gz ARSNVOLAIIRVMW-LPHOPBHVSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H](CC1CCC1)[NH2+]C[C@@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000675897980 544342939 /nfs/dbraw/zinc/34/29/39/544342939.db2.gz ARSNVOLAIIRVMW-LPHOPBHVSA-N 2 1 302.462 2.792 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H](C)c2ccncc2)[C@@H](C)C1 ZINC000675926270 544344901 /nfs/dbraw/zinc/34/49/01/544344901.db2.gz APAMHFOELKMEBE-AOIWGVFYSA-N 2 1 319.493 2.912 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2C/C=C\c1ccccc1 ZINC000676716740 544396211 /nfs/dbraw/zinc/39/62/11/544396211.db2.gz LCRYSKFXBYWWCL-XGZFVWFJSA-N 2 1 300.446 2.883 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@H+]2C/C=C\c1ccccc1 ZINC000676716740 544396212 /nfs/dbraw/zinc/39/62/12/544396212.db2.gz LCRYSKFXBYWWCL-XGZFVWFJSA-N 2 1 300.446 2.883 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000678078289 544595560 /nfs/dbraw/zinc/59/55/60/544595560.db2.gz LURHGNMWJJOSDE-UHFFFAOYSA-N 2 1 314.433 2.979 20 0 DFADMP CC[N@H+]1CCC[C@H]1CN(C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000678259143 544634615 /nfs/dbraw/zinc/63/46/15/544634615.db2.gz CYCIDSPWGCPQQV-SFHVURJKSA-N 2 1 319.493 2.543 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)Cc2cscc2Cl)CC1 ZINC000678248185 544630455 /nfs/dbraw/zinc/63/04/55/544630455.db2.gz TYKFNAGKSHGMTE-GFCCVEGCSA-N 2 1 316.898 2.926 20 0 DFADMP CSc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443057647 297214081 /nfs/dbraw/zinc/21/40/81/297214081.db2.gz HNWRXCXWDZDKHT-KBPBESRZSA-N 2 1 321.490 2.796 20 0 DFADMP Cc1ccc([C@H](C)[NH2+]CC2CCN(CC[NH+](C)C)CC2)c(C)n1 ZINC000678424126 544671248 /nfs/dbraw/zinc/67/12/48/544671248.db2.gz NVIDAHASRLLYJU-INIZCTEOSA-N 2 1 318.509 2.623 20 0 DFADMP OCC[NH+]1CCC([NH2+][C@@H]2CCCC[C@H]2c2ccccc2)CC1 ZINC000678932866 544750847 /nfs/dbraw/zinc/75/08/47/544750847.db2.gz ZONPJHNSZIDIIF-RBUKOAKNSA-N 2 1 302.462 2.759 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nccn3C2)CC[N@@H+]1Cc1ccccc1 ZINC000679024933 544770359 /nfs/dbraw/zinc/77/03/59/544770359.db2.gz FTCZGBGROOZADP-NEWSRXKRSA-N 2 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3nccn3C2)CC[N@H+]1Cc1ccccc1 ZINC000679024933 544770363 /nfs/dbraw/zinc/77/03/63/544770363.db2.gz FTCZGBGROOZADP-NEWSRXKRSA-N 2 1 324.472 2.841 20 0 DFADMP C[C@@H]1C[C@H](Nc2cccc(C[NH+]3CCC(O)CC3)c2)CC[N@H+]1C ZINC000679053034 544775467 /nfs/dbraw/zinc/77/54/67/544775467.db2.gz XPZBIWLJSQHXKX-CRAIPNDOSA-N 2 1 317.477 2.538 20 0 DFADMP CC[N@H+]1C[C@H](C)[C@H](NC2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000679074239 544779674 /nfs/dbraw/zinc/77/96/74/544779674.db2.gz AFMSBZCFQZDTLH-RNIPGJKVSA-N 2 1 307.526 2.959 20 0 DFADMP COc1ccc(C)[nH+]c1NCc1ccc(OCC[NH+](C)C)cc1 ZINC000679118577 544786644 /nfs/dbraw/zinc/78/66/44/544786644.db2.gz ULSPWYBNDVJZIW-UHFFFAOYSA-N 2 1 315.417 2.951 20 0 DFADMP C[C@H](c1cccc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000679146234 544792495 /nfs/dbraw/zinc/79/24/95/544792495.db2.gz YGXYXGQFBHCKLG-MDZRGWNJSA-N 2 1 317.477 2.974 20 0 DFADMP C[C@H](c1cccc(N[C@H]2CC[N@@H+](C)[C@H](C)C2)c1)[NH+]1CCOCC1 ZINC000679146234 544792501 /nfs/dbraw/zinc/79/25/01/544792501.db2.gz YGXYXGQFBHCKLG-MDZRGWNJSA-N 2 1 317.477 2.974 20 0 DFADMP CC(C)(O)C[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000679721600 544905690 /nfs/dbraw/zinc/90/56/90/544905690.db2.gz PFUUYVPDIUGFAX-RCCFBDPRSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000679903732 544924508 /nfs/dbraw/zinc/92/45/08/544924508.db2.gz NAOPDPLRISHSGS-KBPBESRZSA-N 2 1 309.417 2.685 20 0 DFADMP C[N@@H+](CCN1CC[NH+]([C@H]2C=CCCC2)CC1)Cc1ccccc1 ZINC000066534400 425904637 /nfs/dbraw/zinc/90/46/37/425904637.db2.gz HAJKQNZYVOICBF-FQEVSTJZSA-N 2 1 313.489 2.845 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+](CC[C@H]2CCCO2)CC1 ZINC000189796460 267956052 /nfs/dbraw/zinc/95/60/52/267956052.db2.gz TVYKDEXCPMTBJL-GOSISDBHSA-N 2 1 312.498 2.626 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2CCCC[C@H]2C)o1 ZINC000046860287 425866538 /nfs/dbraw/zinc/86/65/38/425866538.db2.gz DKXNAYPLKMNTMV-OAHLLOKOSA-N 2 1 321.465 2.726 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](C[C@@H]1CCCO1)[C@@H]1CCSC1 ZINC000191817391 268015303 /nfs/dbraw/zinc/01/53/03/268015303.db2.gz UUCLUUFYVSHAHB-CVEARBPZSA-N 2 1 300.512 2.705 20 0 DFADMP Cc1ccc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)s1 ZINC000192732047 268047065 /nfs/dbraw/zinc/04/70/65/268047065.db2.gz JXLDRKBOTFYILW-UHFFFAOYSA-N 2 1 309.523 2.904 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)c1ccnn1C)[N@H+](C)Cc1ccccc1 ZINC000192924212 268053817 /nfs/dbraw/zinc/05/38/17/268053817.db2.gz WVBDMVTVLQZIPZ-CVEARBPZSA-N 2 1 300.450 2.981 20 0 DFADMP C[C@H](CC[NH2+][C@@H](C)c1ccnn1C)[N@@H+](C)Cc1ccccc1 ZINC000192924212 268053819 /nfs/dbraw/zinc/05/38/19/268053819.db2.gz WVBDMVTVLQZIPZ-CVEARBPZSA-N 2 1 300.450 2.981 20 0 DFADMP FC(F)OCCC[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000194030587 268088113 /nfs/dbraw/zinc/08/81/13/268088113.db2.gz ABMAYYLDYOIFMY-UHFFFAOYSA-N 2 1 312.404 2.912 20 0 DFADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@H+]3CCCC[C@H]3C)cc12 ZINC000237676699 268158881 /nfs/dbraw/zinc/15/88/81/268158881.db2.gz VDADURIQFYAVCA-CQSZACIVSA-N 2 1 315.465 2.631 20 0 DFADMP Cc1nn(C)c2ncc(C[NH2+]CCC[N@@H+]3CCCC[C@H]3C)cc12 ZINC000237676699 268158883 /nfs/dbraw/zinc/15/88/83/268158883.db2.gz VDADURIQFYAVCA-CQSZACIVSA-N 2 1 315.465 2.631 20 0 DFADMP COc1ccc(Br)cc1C[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000258864518 268168676 /nfs/dbraw/zinc/16/86/76/268168676.db2.gz AICJJCHVFPIBGN-LLVKDONJSA-N 2 1 313.239 2.547 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)[nH+]1 ZINC000270850697 268226004 /nfs/dbraw/zinc/22/60/04/268226004.db2.gz XTMWRUFRXBSGQQ-ZAAXVRCTSA-N 2 1 323.440 2.782 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+]([C@H]3Cc4ccccc4[C@H]3O)C2)[nH+]1 ZINC000270850697 268226008 /nfs/dbraw/zinc/22/60/08/268226008.db2.gz XTMWRUFRXBSGQQ-ZAAXVRCTSA-N 2 1 323.440 2.782 20 0 DFADMP CC[NH+]1CCC([NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000277310618 268264140 /nfs/dbraw/zinc/26/41/40/268264140.db2.gz VUPGDVNOFUVISP-AWEZNQCLSA-N 2 1 306.450 2.796 20 0 DFADMP CC[NH+](CC)Cc1cccc(NC(=O)Cn2cc[nH+]c2C)c1 ZINC000297949453 268311798 /nfs/dbraw/zinc/31/17/98/268311798.db2.gz VXKZOBCRKKPCHW-UHFFFAOYSA-N 2 1 300.406 2.672 20 0 DFADMP COCCC[NH+](C)Cc1cccc(C[N@H+](C)CCCOC)c1 ZINC000299263596 268319447 /nfs/dbraw/zinc/31/94/47/268319447.db2.gz JLOBVRGRIZMHFE-UHFFFAOYSA-N 2 1 308.466 2.623 20 0 DFADMP CC[C@@H](O)[C@H](CC)[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000313099579 268338583 /nfs/dbraw/zinc/33/85/83/268338583.db2.gz FPNBWHPIRLHWHR-RBUKOAKNSA-N 2 1 304.478 2.833 20 0 DFADMP O=C([C@@H]1CCC[N@H+]1C1CCCC1)N1CCC(c2ncc[nH]2)CC1 ZINC000333359980 268393834 /nfs/dbraw/zinc/39/38/34/268393834.db2.gz XFZZPHJXJHBDGZ-INIZCTEOSA-N 2 1 316.449 2.523 20 0 DFADMP COC(=O)CCC[N@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125636883 425983924 /nfs/dbraw/zinc/98/39/24/425983924.db2.gz ZGHHWQHBOMMOBB-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[N@@H+](CC[C@@H]1CCC[NH+]1C)Cc1ccccc1 ZINC000125636883 425983926 /nfs/dbraw/zinc/98/39/26/425983926.db2.gz ZGHHWQHBOMMOBB-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[NH+](CC[C@@H]1CCC[N@@H+]1C)Cc1ccccc1 ZINC000125636883 425983927 /nfs/dbraw/zinc/98/39/27/425983927.db2.gz ZGHHWQHBOMMOBB-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP COC(=O)CCC[NH+](CC[C@@H]1CCC[N@H+]1C)Cc1ccccc1 ZINC000125636883 425983928 /nfs/dbraw/zinc/98/39/28/425983928.db2.gz ZGHHWQHBOMMOBB-SFHVURJKSA-N 2 1 318.461 2.926 20 0 DFADMP CCC[C@H](C(=O)N1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1)[NH+](C)C ZINC000158047207 425940932 /nfs/dbraw/zinc/94/09/32/425940932.db2.gz NZKQYCIQSSWZJA-OKZBNKHCSA-N 2 1 323.525 2.830 20 0 DFADMP Cc1nc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c(C)s1 ZINC000336853960 268440508 /nfs/dbraw/zinc/44/05/08/268440508.db2.gz COZZFIPDDIRPHW-UHFFFAOYSA-N 2 1 323.506 2.837 20 0 DFADMP COCCOCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000158839637 425948863 /nfs/dbraw/zinc/94/88/63/425948863.db2.gz UDDGHXAMQMLDCD-QGZVFWFLSA-N 2 1 312.498 2.626 20 0 DFADMP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+](C)[C@@H]1c1cccs1)[NH+](C)C ZINC000158971607 425950645 /nfs/dbraw/zinc/95/06/45/425950645.db2.gz WTTBMLOZKOXUAE-FMKPAKJESA-N 2 1 323.506 2.587 20 0 DFADMP Cc1ccc2c(c1)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCC(C)CC1)CC2 ZINC000158961805 425951520 /nfs/dbraw/zinc/95/15/20/425951520.db2.gz SYVBDUROSLCELD-HKUYNNGSSA-N 2 1 302.462 2.665 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCC1CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000158976211 425951680 /nfs/dbraw/zinc/95/16/80/425951680.db2.gz YDTPKDKEJARDJA-SJLPKXTDSA-N 2 1 322.493 2.916 20 0 DFADMP CCN(CC)C(=O)C1([NH2+]CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC000125214599 425958366 /nfs/dbraw/zinc/95/83/66/425958366.db2.gz VVWPUXLMBZOACC-INIZCTEOSA-N 2 1 309.498 2.632 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)c1ccco1 ZINC000104149206 425959577 /nfs/dbraw/zinc/95/95/77/425959577.db2.gz OFRUUQQGPUFCAG-CVEARBPZSA-N 2 1 321.465 2.653 20 0 DFADMP COc1ccc(C[NH2+][C@H]2CC[N@@H+](C)C[C@H]2C)cc1OC(F)F ZINC000105480783 425968296 /nfs/dbraw/zinc/96/82/96/425968296.db2.gz CULIGZZYDJGQAK-YPMHNXCESA-N 2 1 314.376 2.726 20 0 DFADMP COc1ccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c(Cl)c1OC ZINC000070169332 425969323 /nfs/dbraw/zinc/96/93/23/425969323.db2.gz NDYXJHVSCYEXSF-GFCCVEGCSA-N 2 1 312.841 2.918 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCC(OC2CCOCC2)CC1 ZINC000125527964 425977057 /nfs/dbraw/zinc/97/70/57/425977057.db2.gz RRBLENZSNXWKPY-UHFFFAOYSA-N 2 1 321.465 2.632 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC[N@@H+]1C ZINC000125587906 425980296 /nfs/dbraw/zinc/98/02/96/425980296.db2.gz YCWQHKXCWDZYQX-HYVNUMGLSA-N 2 1 305.441 2.867 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(c3cccc(F)c3)C2)CC[N@H+]1C ZINC000125587906 425980297 /nfs/dbraw/zinc/98/02/97/425980297.db2.gz YCWQHKXCWDZYQX-HYVNUMGLSA-N 2 1 305.441 2.867 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC ZINC000126666731 426030962 /nfs/dbraw/zinc/03/09/62/426030962.db2.gz UVRSIRMDJSCRMI-JKSUJKDBSA-N 2 1 304.434 2.810 20 0 DFADMP CCOc1ccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@@H]3C2)cc1OC ZINC000126666731 426030964 /nfs/dbraw/zinc/03/09/64/426030964.db2.gz UVRSIRMDJSCRMI-JKSUJKDBSA-N 2 1 304.434 2.810 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872451 426042476 /nfs/dbraw/zinc/04/24/76/426042476.db2.gz QAMNNOVQIGJWBA-FMKPAKJESA-N 2 1 304.434 2.666 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc2c(c1)OCCCO2 ZINC000161872451 426042478 /nfs/dbraw/zinc/04/24/78/426042478.db2.gz QAMNNOVQIGJWBA-FMKPAKJESA-N 2 1 304.434 2.666 20 0 DFADMP c1nnc([C@H]2CCC[N@@H+](CCC[NH+]3CCCCC3)C2)n1C1CC1 ZINC000161960567 426047299 /nfs/dbraw/zinc/04/72/99/426047299.db2.gz VBNFSIUXJLHLQZ-INIZCTEOSA-N 2 1 317.481 2.668 20 0 DFADMP c1nnc([C@H]2CCC[N@H+](CCC[NH+]3CCCCC3)C2)n1C1CC1 ZINC000161960567 426047303 /nfs/dbraw/zinc/04/73/03/426047303.db2.gz VBNFSIUXJLHLQZ-INIZCTEOSA-N 2 1 317.481 2.668 20 0 DFADMP CC[C@@H](C(=O)Nc1cccc2c1C[N@@H+](CC(C)C)C2)[NH+](C)C ZINC000162218473 426057123 /nfs/dbraw/zinc/05/71/23/426057123.db2.gz UIGGNAOCAAKFLX-KRWDZBQOSA-N 2 1 303.450 2.937 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337758768 268543511 /nfs/dbraw/zinc/54/35/11/268543511.db2.gz NOGYYKGKIVAQHP-HHXXYDBFSA-N 2 1 317.477 2.703 20 0 DFADMP CCC[C@H](NC(=O)[C@@H](C)[N@H+]1CC[C@](C)(C[NH3+])C1)c1ccccc1 ZINC000337758768 268543512 /nfs/dbraw/zinc/54/35/12/268543512.db2.gz NOGYYKGKIVAQHP-HHXXYDBFSA-N 2 1 317.477 2.703 20 0 DFADMP c1ccc(CC[NH+]2CCC([NH2+]CCc3cccnc3)CC2)cc1 ZINC000126172850 426008775 /nfs/dbraw/zinc/00/87/75/426008775.db2.gz FIODAMVJNVOKIL-UHFFFAOYSA-N 2 1 309.457 2.921 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)CC[N@H+]1C ZINC000163086102 426088405 /nfs/dbraw/zinc/08/84/05/426088405.db2.gz YIZCCIODCQVODA-CMPLNLGQSA-N 2 1 317.264 2.873 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000163083444 426088890 /nfs/dbraw/zinc/08/88/90/426088890.db2.gz XGHMIFDBAYICBZ-HNAYVOBHSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000163083444 426088892 /nfs/dbraw/zinc/08/88/92/426088892.db2.gz XGHMIFDBAYICBZ-HNAYVOBHSA-N 2 1 312.461 2.729 20 0 DFADMP CC[NH+](CC)C[C@H]1CC[N@@H+](CCC(=O)NCC2CCCCC2)C1 ZINC000076000790 426092648 /nfs/dbraw/zinc/09/26/48/426092648.db2.gz OGJLAEUBNJYZBR-GOSISDBHSA-N 2 1 323.525 2.737 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000163244591 426093762 /nfs/dbraw/zinc/09/37/62/426093762.db2.gz ABXBKXZKZANJHK-DLBZAZTESA-N 3 1 319.493 2.619 20 0 DFADMP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000163244591 426093764 /nfs/dbraw/zinc/09/37/64/426093764.db2.gz ABXBKXZKZANJHK-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000163244591 426093766 /nfs/dbraw/zinc/09/37/66/426093766.db2.gz ABXBKXZKZANJHK-DLBZAZTESA-N 2 1 319.493 2.619 20 0 DFADMP Cc1ccc(C)c([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)c1 ZINC000128012502 426097366 /nfs/dbraw/zinc/09/73/66/426097366.db2.gz XTXNAXBJVKWJQR-SJORKVTESA-N 2 1 317.477 2.541 20 0 DFADMP C[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)C(C)(C)c1ccccc1 ZINC000128250851 426108960 /nfs/dbraw/zinc/10/89/60/426108960.db2.gz MQWLVEQTGZKZGG-SFHVURJKSA-N 2 1 317.521 2.970 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@@H](C)c1ccc(-n2cncn2)cc1 ZINC000164706141 426117445 /nfs/dbraw/zinc/11/74/45/426117445.db2.gz NGJZKRYBQSTOAN-HNNXBMFYSA-N 2 1 324.432 2.903 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000165293364 426122107 /nfs/dbraw/zinc/12/21/07/426122107.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 2 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293364 426122108 /nfs/dbraw/zinc/12/21/08/426122108.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 2 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@@H](NC[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293364 426122110 /nfs/dbraw/zinc/12/21/10/426122110.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 2 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@@H+]1C ZINC000165293364 426122112 /nfs/dbraw/zinc/12/21/12/426122112.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 3 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[NH+](CCc3ccccc3)C2)CC[N@H+]1C ZINC000165293364 426122113 /nfs/dbraw/zinc/12/21/13/426122113.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 3 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293364 426122115 /nfs/dbraw/zinc/12/21/15/426122115.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 3 1 315.505 2.623 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)CC[NH+]1C ZINC000165293364 426122118 /nfs/dbraw/zinc/12/21/18/426122118.db2.gz OMKJHVPGSQIKQY-IHPCNDPISA-N 3 1 315.505 2.623 20 0 DFADMP CC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccc1OC ZINC000128597490 426124680 /nfs/dbraw/zinc/12/46/80/426124680.db2.gz QLLXJYYZJIUMJQ-SFHVURJKSA-N 2 1 319.493 2.764 20 0 DFADMP CC[NH+]1CCC([N@H+](C)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000077249062 426124825 /nfs/dbraw/zinc/12/48/25/426124825.db2.gz MBMRPAIDSJCMCS-UHFFFAOYSA-N 2 1 320.433 2.600 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)CCCOc2ccc3c(c2)OCO3)CC1 ZINC000077249062 426124828 /nfs/dbraw/zinc/12/48/28/426124828.db2.gz MBMRPAIDSJCMCS-UHFFFAOYSA-N 2 1 320.433 2.600 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000165998066 426126224 /nfs/dbraw/zinc/12/62/24/426126224.db2.gz QNPQXRZLTSXLGX-MSOLQXFVSA-N 2 1 317.477 2.661 20 0 DFADMP CCOc1ccc([C@H](C)[NH2+]CCCN2CCC[N@@H+](C)CC2)cc1 ZINC000128652607 426126898 /nfs/dbraw/zinc/12/68/98/426126898.db2.gz DNSUEOXOWDVUNM-KRWDZBQOSA-N 2 1 319.493 2.764 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC000166330866 426127593 /nfs/dbraw/zinc/12/75/93/426127593.db2.gz IYVWDGMMYJXDNR-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000166330866 426127595 /nfs/dbraw/zinc/12/75/95/426127595.db2.gz IYVWDGMMYJXDNR-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[NH+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[N@@H+](C)[C@@H](C)C1 ZINC000166330866 426127598 /nfs/dbraw/zinc/12/75/98/426127598.db2.gz IYVWDGMMYJXDNR-QGZVKYPTSA-N 2 1 315.505 2.969 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)C[NH2+]CC3CC3)c2C1 ZINC000166935185 426129862 /nfs/dbraw/zinc/12/98/62/426129862.db2.gz CVGASGHDSCUYLI-UHFFFAOYSA-N 2 1 315.461 2.986 20 0 DFADMP c1c[nH]c([C@@H](NCCCNc2ccccn2)c2ccccc2)n1 ZINC000127559713 426073179 /nfs/dbraw/zinc/07/31/79/426073179.db2.gz VBMQLNAMXDTNMB-KRWDZBQOSA-N 2 1 307.401 2.986 20 0 DFADMP C[N@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000162790021 426077671 /nfs/dbraw/zinc/07/76/71/426077671.db2.gz JRWMIQPWMJTTRD-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@H+](CCC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000162790021 426077674 /nfs/dbraw/zinc/07/76/74/426077674.db2.gz JRWMIQPWMJTTRD-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP C[NH+]1CCC[C@@H]2C[N@@H+](CCC(=O)Nc3ccccc3F)CC[C@@H]21 ZINC000162790021 426077677 /nfs/dbraw/zinc/07/76/77/426077677.db2.gz JRWMIQPWMJTTRD-PBHICJAKSA-N 2 1 319.424 2.570 20 0 DFADMP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1)c1cccnc1 ZINC000112517421 426080191 /nfs/dbraw/zinc/08/01/91/426080191.db2.gz PHUGCOXGBLTLML-INIZCTEOSA-N 2 1 311.429 2.765 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000162901530 426082315 /nfs/dbraw/zinc/08/23/15/426082315.db2.gz ABIDSZQDBUIYMX-QFBILLFUSA-N 3 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCN1C ZINC000162901530 426082317 /nfs/dbraw/zinc/08/23/17/426082317.db2.gz ABIDSZQDBUIYMX-QFBILLFUSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@@H+]1C ZINC000162901530 426082320 /nfs/dbraw/zinc/08/23/20/426082320.db2.gz ABIDSZQDBUIYMX-QFBILLFUSA-N 2 1 301.478 2.855 20 0 DFADMP C[C@H]1C[C@H](NCc2ccc(C[NH+]3CCCC3)cc2)CC[N@H+]1C ZINC000162901530 426082321 /nfs/dbraw/zinc/08/23/21/426082321.db2.gz ABIDSZQDBUIYMX-QFBILLFUSA-N 2 1 301.478 2.855 20 0 DFADMP COCCOc1cccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)c1 ZINC000163005553 426086521 /nfs/dbraw/zinc/08/65/21/426086521.db2.gz SLACMWFQAIPPME-IIDMSEBBSA-N 2 1 306.450 2.530 20 0 DFADMP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1)c1ccccc1 ZINC000116879080 426200317 /nfs/dbraw/zinc/20/03/17/426200317.db2.gz FSNMNLMEANXTBQ-UYAOXDASSA-N 2 1 315.505 2.892 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000129609172 426139938 /nfs/dbraw/zinc/13/99/38/426139938.db2.gz LKWZEJBIGSLATK-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000129609172 426139940 /nfs/dbraw/zinc/13/99/40/426139940.db2.gz LKWZEJBIGSLATK-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP C[C@H]1C[NH+](C)CC[C@H]1N[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000129609172 426139943 /nfs/dbraw/zinc/13/99/43/426139943.db2.gz LKWZEJBIGSLATK-RAUXBKROSA-N 2 1 315.505 2.969 20 0 DFADMP COc1cc(C[NH2+][C@H](C)CC[NH+](C)C)c(SC)cc1OC ZINC000077988810 426154480 /nfs/dbraw/zinc/15/44/80/426154480.db2.gz BWHZNVSJKGVZJZ-GFCCVEGCSA-N 2 1 312.479 2.856 20 0 DFADMP C[C@@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc(Br)c1 ZINC000131890477 426167487 /nfs/dbraw/zinc/16/74/87/426167487.db2.gz RJDULYZQLAYLKZ-DGCLKSJQSA-N 2 1 313.239 2.640 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1CCOc1cccc(Br)c1 ZINC000131890680 426167630 /nfs/dbraw/zinc/16/76/30/426167630.db2.gz RJDULYZQLAYLKZ-WCQYABFASA-N 2 1 313.239 2.640 20 0 DFADMP C[C@H]([NH2+][C@H](CC[NH+](C)C)C(C)(C)C)C(=O)NCc1ccccc1 ZINC000116396615 426188656 /nfs/dbraw/zinc/18/86/56/426188656.db2.gz HDJNWMTXQRTESI-DOTOQJQBSA-N 2 1 319.493 2.647 20 0 DFADMP CC1CCC(O)(C[NH+]2CC[C@H]3[C@H](CCC[N@@H+]3C3CC3)C2)CC1 ZINC000134894311 426198426 /nfs/dbraw/zinc/19/84/26/426198426.db2.gz AUZXHZISHRXRIC-YDXUJSMASA-N 2 1 306.494 2.876 20 0 DFADMP CC1CCC(O)(C[NH+]2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)CC1 ZINC000134894311 426198429 /nfs/dbraw/zinc/19/84/29/426198429.db2.gz AUZXHZISHRXRIC-YDXUJSMASA-N 2 1 306.494 2.876 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096499 426220019 /nfs/dbraw/zinc/22/00/19/426220019.db2.gz FVTSRNHLFANXEL-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096499 426220023 /nfs/dbraw/zinc/22/00/23/426220023.db2.gz FVTSRNHLFANXEL-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCC(=O)Nc2cccc(F)c2)[C@H](C)C1 ZINC000081096499 426220026 /nfs/dbraw/zinc/22/00/26/426220026.db2.gz FVTSRNHLFANXEL-PBHICJAKSA-N 2 1 321.440 2.816 20 0 DFADMP c1cc(CC[N@H+]2CC[C@H](C[NH+]3CCCCC3)C2)cc2c1OCC2 ZINC000173873835 426249178 /nfs/dbraw/zinc/24/91/78/426249178.db2.gz IPMXVUFQQFACLU-GOSISDBHSA-N 2 1 314.473 2.972 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000117340476 426212416 /nfs/dbraw/zinc/21/24/16/426212416.db2.gz PUGVNRIAHJOPRV-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCc1ccc(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000117340476 426212417 /nfs/dbraw/zinc/21/24/17/426212417.db2.gz PUGVNRIAHJOPRV-HXUWFJFHSA-N 2 1 315.505 2.851 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(Cc2ccc(C(=O)OC)s2)C1 ZINC000119488557 426291997 /nfs/dbraw/zinc/29/19/97/426291997.db2.gz JCZXKILTDYJFAH-ZDUSSCGKSA-N 2 1 310.463 2.698 20 0 DFADMP COC(=O)c1ccc(CN(C)[C@H]2CC[N@@H+](C)[C@@H](C)C2)cc1F ZINC000151664501 426306892 /nfs/dbraw/zinc/30/68/92/426306892.db2.gz NFEYTVSVUKJWOT-JSGCOSHPSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1ccc(C[N@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000151664501 426306895 /nfs/dbraw/zinc/30/68/95/426306895.db2.gz NFEYTVSVUKJWOT-JSGCOSHPSA-N 2 1 308.397 2.527 20 0 DFADMP COC(=O)c1ccc(C[N@@H+](C)[C@H]2CCN(C)[C@@H](C)C2)cc1F ZINC000151664501 426306897 /nfs/dbraw/zinc/30/68/97/426306897.db2.gz NFEYTVSVUKJWOT-JSGCOSHPSA-N 2 1 308.397 2.527 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000175719301 426322780 /nfs/dbraw/zinc/32/27/80/426322780.db2.gz QREFSQKLAAAKAX-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000175719301 426322783 /nfs/dbraw/zinc/32/27/83/426322783.db2.gz QREFSQKLAAAKAX-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCC(=O)Nc2ccc(F)cc2)[C@H](C)C1 ZINC000175719301 426322785 /nfs/dbraw/zinc/32/27/85/426322785.db2.gz QREFSQKLAAAKAX-RHSMWYFYSA-N 2 1 321.440 2.816 20 0 DFADMP C[NH+](CCCCCCO)C[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000175776872 426327789 /nfs/dbraw/zinc/32/77/89/426327789.db2.gz YGIKYJBLHYMACF-LJQANCHMSA-N 2 1 304.478 2.993 20 0 DFADMP CCC[N@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)C1 ZINC000151140061 426280918 /nfs/dbraw/zinc/28/09/18/426280918.db2.gz XXEUJFPPZGLXAC-JKSUJKDBSA-N 2 1 313.449 2.650 20 0 DFADMP C[C@@H](CCNc1ncnc2c1cnn2C)[N@@H+](C)Cc1ccccc1 ZINC000175161193 426283565 /nfs/dbraw/zinc/28/35/65/426283565.db2.gz ADGULUSMDPTYBL-AWEZNQCLSA-N 2 1 324.432 2.686 20 0 DFADMP CCC[C@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151259056 426286124 /nfs/dbraw/zinc/28/61/24/426286124.db2.gz XZLYEHCOGBKVMC-HKUYNNGSSA-N 2 1 320.477 2.973 20 0 DFADMP CCC[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCCC1)c1ccc(OC)cc1 ZINC000151259106 426286519 /nfs/dbraw/zinc/28/65/19/426286519.db2.gz XZLYEHCOGBKVMC-PKOBYXMFSA-N 2 1 320.477 2.973 20 0 DFADMP c1ccc(C[NH+]2CCOCC2)c(C[NH2+]C[C@@H]2CC=CCC2)c1 ZINC000122794005 426394822 /nfs/dbraw/zinc/39/48/22/426394822.db2.gz JWGOHWIMWRUIMI-QGZVFWFLSA-N 2 1 300.446 2.965 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)CC[N@H+]1C ZINC000122808687 426395990 /nfs/dbraw/zinc/39/59/90/426395990.db2.gz RMOUVMHZKCVWEL-DZGCQCFKSA-N 2 1 304.434 2.765 20 0 DFADMP CC[C@H]([NH2+]CCC[N@H+](C)CCOC)c1ccc(F)cc1F ZINC000153762989 426404366 /nfs/dbraw/zinc/40/43/66/426404366.db2.gz YVSYPGVHKOIGJB-INIZCTEOSA-N 2 1 300.393 2.974 20 0 DFADMP CC[C@H]([NH2+]CCC[N@@H+](C)CCOC)c1ccc(F)cc1F ZINC000153762989 426404369 /nfs/dbraw/zinc/40/43/69/426404369.db2.gz YVSYPGVHKOIGJB-INIZCTEOSA-N 2 1 300.393 2.974 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc([S@](C)=O)cc1 ZINC000152447523 426342791 /nfs/dbraw/zinc/34/27/91/426342791.db2.gz RKNVNTYAVAQOKA-HKZYLEAXSA-N 2 1 306.475 2.559 20 0 DFADMP CC1CCC(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)CC1 ZINC000093148363 426353978 /nfs/dbraw/zinc/35/39/78/426353978.db2.gz ZKDWJCKFTDHYCQ-ACBHZAAOSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@H](C(=O)Nc1nccs1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123168503 426417686 /nfs/dbraw/zinc/41/76/86/426417686.db2.gz YEZBRAUZSJKADM-CYBMUJFWSA-N 2 1 324.494 2.524 20 0 DFADMP Cc1ccc([C@H](CN[C@H]2CC[N@H+](C)C[C@@H]2C)[NH+]2CCCC2)o1 ZINC000154030771 426420227 /nfs/dbraw/zinc/42/02/27/426420227.db2.gz MJRKKOJOPLBJTH-XIRDDKMYSA-N 2 1 305.466 2.655 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](CC(=O)Nc2ccccc2F)CC1 ZINC000123340112 426427457 /nfs/dbraw/zinc/42/74/57/426427457.db2.gz ZWICXZYQAFMTFO-UHFFFAOYSA-N 2 1 321.440 2.818 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+][C@H]2c3ccccc3C[C@@H]2C)CC1 ZINC000154478445 426442494 /nfs/dbraw/zinc/44/24/94/426442494.db2.gz PLKCHVKMTQSSSO-FXAWDEMLSA-N 2 1 315.505 2.927 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000154549067 426444780 /nfs/dbraw/zinc/44/47/80/426444780.db2.gz KTPAUOODHBDRTG-BBWFWOEESA-N 2 1 309.498 2.617 20 0 DFADMP Cc1cnc(C[NH2+]Cc2ccccc2C[N@@H+](C)C(C)C)n1C ZINC000341074699 269038800 /nfs/dbraw/zinc/03/88/00/269038800.db2.gz FGHWVWGTMCXRIY-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP Cc1cnc(C[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)n1C ZINC000341074699 269038801 /nfs/dbraw/zinc/03/88/01/269038801.db2.gz FGHWVWGTMCXRIY-UHFFFAOYSA-N 2 1 300.450 2.859 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC[C@@H](CO)C1 ZINC000154614752 426448557 /nfs/dbraw/zinc/44/85/57/426448557.db2.gz WXRMERKOWGFSNR-GOSISDBHSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000154614752 426448560 /nfs/dbraw/zinc/44/85/60/426448560.db2.gz WXRMERKOWGFSNR-GOSISDBHSA-N 2 1 304.478 2.849 20 0 DFADMP C[NH+](Cc1ccccc1)CC(C)(C)C[N@H+]1CCC[C@@H](CO)C1 ZINC000154614752 426448562 /nfs/dbraw/zinc/44/85/62/426448562.db2.gz WXRMERKOWGFSNR-GOSISDBHSA-N 2 1 304.478 2.849 20 0 DFADMP CC(C)C[C@@H](CNc1cc[nH+]cc1Br)[NH+](C)C ZINC000341437117 269077341 /nfs/dbraw/zinc/07/73/41/269077341.db2.gz XTAKDSXEXANQIT-NSHDSACASA-N 2 1 300.244 2.654 20 0 DFADMP CC(C)[C@H](C[NH2+]C1CCN(c2ccccn2)CC1)[NH+]1CCCC1 ZINC000124136844 426471637 /nfs/dbraw/zinc/47/16/37/426471637.db2.gz DOHZBNTYXSQEJC-SFHVURJKSA-N 2 1 316.493 2.760 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[N@@H+]1C ZINC000124265627 426477162 /nfs/dbraw/zinc/47/71/62/426477162.db2.gz CPJWZOFVTKKBQC-LMPOIIKSSA-N 2 1 310.482 2.959 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)CC[N@H+]1C ZINC000124265627 426477164 /nfs/dbraw/zinc/47/71/64/426477164.db2.gz CPJWZOFVTKKBQC-LMPOIIKSSA-N 2 1 310.482 2.959 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000177431493 426478888 /nfs/dbraw/zinc/47/88/88/426478888.db2.gz YKQZMZRIUVNITA-SFHVURJKSA-N 2 1 321.509 2.773 20 0 DFADMP CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000177460973 426481066 /nfs/dbraw/zinc/48/10/66/426481066.db2.gz KNHDNZMHGCJQRG-NVXWUHKLSA-N 2 1 309.498 2.628 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1CC[N@H+](C2CC2)C1)c1ccc2c(c1)OCCO2 ZINC000124377348 426482300 /nfs/dbraw/zinc/48/23/00/426482300.db2.gz XGPWJWRIEFMLSM-KGLIPLIRSA-N 2 1 302.418 2.593 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c(OC)c1 ZINC000124376872 426482328 /nfs/dbraw/zinc/48/23/28/426482328.db2.gz UNPYQEHDVARDOD-ZIAGYGMSSA-N 2 1 304.434 2.839 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)c(OC)c1 ZINC000124376872 426482330 /nfs/dbraw/zinc/48/23/30/426482330.db2.gz UNPYQEHDVARDOD-ZIAGYGMSSA-N 2 1 304.434 2.839 20 0 DFADMP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CCN(CC[NH+](C)C)CC1 ZINC000124395918 426483437 /nfs/dbraw/zinc/48/34/37/426483437.db2.gz INGKVZHSGNOSNI-OXJNMPFZSA-N 2 1 315.505 2.783 20 0 DFADMP C[N@@H+](CCCn1ccnc1)Cc1nc(-c2ccc(F)cc2)no1 ZINC000124431290 426484098 /nfs/dbraw/zinc/48/40/98/426484098.db2.gz AYAWTMFNCONRBT-UHFFFAOYSA-N 2 1 315.352 2.594 20 0 DFADMP CC[NH+](CC)CCNC(=O)c1ccc(C[N@@H+](CC)C(C)C)cc1 ZINC000101633887 426485524 /nfs/dbraw/zinc/48/55/24/426485524.db2.gz PFDPSLABBXYHIR-UHFFFAOYSA-N 2 1 319.493 2.989 20 0 DFADMP CCCC[NH+]1CCC(NC(=O)[C@H](C)[N@@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000101659266 426485899 /nfs/dbraw/zinc/48/58/99/426485899.db2.gz WMCUAAQHAAZTFQ-XHSDSOJGSA-N 2 1 309.498 2.628 20 0 DFADMP CC[NH+]1CCC(N[C@H](C)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)CC1 ZINC000272368567 426508417 /nfs/dbraw/zinc/50/84/17/426508417.db2.gz UIUYJMRREDYNDA-IEBWSBKVSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1)c1cnn(C)c1 ZINC000272392638 426515243 /nfs/dbraw/zinc/51/52/43/426515243.db2.gz YCOUZKAIWSPOPQ-BQFCYCMXSA-N 2 1 312.461 2.981 20 0 DFADMP c1c2ccccc2oc1C[NH+]1CCN(CC[NH+]2CCCC2)CC1 ZINC000177779112 426517607 /nfs/dbraw/zinc/51/76/07/426517607.db2.gz ILDOPVVOBZDAGP-UHFFFAOYSA-N 2 1 313.445 2.646 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCCC[C@H]1O)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272537256 426551395 /nfs/dbraw/zinc/55/13/95/426551395.db2.gz RLMUSIKGXREWJD-JCHJZTRSSA-N 2 1 302.462 2.790 20 0 DFADMP COCC[N@@H+](C)CCCN[C@@H](C)c1ccc2ccccc2n1 ZINC000177988392 426552454 /nfs/dbraw/zinc/55/24/54/426552454.db2.gz IFFVJNSQMKSVMS-HNNXBMFYSA-N 2 1 301.434 2.854 20 0 DFADMP COCCN(C)CCC[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000177988392 426552458 /nfs/dbraw/zinc/55/24/58/426552458.db2.gz IFFVJNSQMKSVMS-HNNXBMFYSA-N 2 1 301.434 2.854 20 0 DFADMP C[C@@H]1C[N@H+](CCC2CC[NH+](CCOCC3CC3)CC2)C[C@H](C)O1 ZINC000177484570 426489135 /nfs/dbraw/zinc/48/91/35/426489135.db2.gz WJPKVXVRIMSXML-CALCHBBNSA-N 2 1 324.509 2.624 20 0 DFADMP c1c(Cc2noc([C@@H]3CCC[N@@H+]3C3CC3)n2)nc2ccccn12 ZINC000289025990 426570459 /nfs/dbraw/zinc/57/04/59/426570459.db2.gz PNBDIZPMPSKLES-AWEZNQCLSA-N 2 1 309.373 2.607 20 0 DFADMP c1c(Cc2noc([C@@H]3CCC[N@H+]3C3CC3)n2)nc2ccccn12 ZINC000289025990 426570462 /nfs/dbraw/zinc/57/04/62/426570462.db2.gz PNBDIZPMPSKLES-AWEZNQCLSA-N 2 1 309.373 2.607 20 0 DFADMP Cc1ccnc(OC2CC[NH+](CC[C@H]3CCC[N@H+]3C)CC2)c1 ZINC000273039293 426580462 /nfs/dbraw/zinc/58/04/62/426580462.db2.gz WIRYQCXJJWOPEH-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1ccnc(OC2CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000273039293 426580466 /nfs/dbraw/zinc/58/04/66/426580466.db2.gz WIRYQCXJJWOPEH-MRXNPFEDSA-N 2 1 303.450 2.718 20 0 DFADMP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C)cc1 ZINC000178294764 426601210 /nfs/dbraw/zinc/60/12/10/426601210.db2.gz BUSNAQPMZSJVQF-QGZVFWFLSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)cc1 ZINC000178294764 426601216 /nfs/dbraw/zinc/60/12/16/426601216.db2.gz BUSNAQPMZSJVQF-QGZVFWFLSA-N 2 1 312.417 2.603 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1C[C@H](O)c1cc(F)ccc1F ZINC000178311438 426603934 /nfs/dbraw/zinc/60/39/34/426603934.db2.gz KTRMBBNAVZRUJI-YOEHRIQHSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1C[C@H](O)c1cc(F)ccc1F ZINC000178311438 426603937 /nfs/dbraw/zinc/60/39/37/426603937.db2.gz KTRMBBNAVZRUJI-YOEHRIQHSA-N 2 1 321.371 2.668 20 0 DFADMP Cc1cccc(CC2(O)CC[NH+](CC[C@H]3CCC[N@@H+]3C)CC2)c1 ZINC000280592209 426608798 /nfs/dbraw/zinc/60/87/98/426608798.db2.gz UIYYEVYKDQCKKF-LJQANCHMSA-N 2 1 316.489 2.849 20 0 DFADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@H+](C)C(C)C ZINC000273188880 426611667 /nfs/dbraw/zinc/61/16/67/426611667.db2.gz PJBYHXHQAKGIRF-OAHLLOKOSA-N 2 1 322.449 2.619 20 0 DFADMP COC(=O)COc1ccccc1[C@@H](C)[NH2+]CCC[N@@H+](C)C(C)C ZINC000273188880 426611670 /nfs/dbraw/zinc/61/16/70/426611670.db2.gz PJBYHXHQAKGIRF-OAHLLOKOSA-N 2 1 322.449 2.619 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)cc1 ZINC000272560681 426558479 /nfs/dbraw/zinc/55/84/79/426558479.db2.gz NRAGFUQEPSASNH-HOTGVXAUSA-N 2 1 317.477 2.741 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC(F)(c2ccccn2)CC1 ZINC000289362652 426636360 /nfs/dbraw/zinc/63/63/60/426636360.db2.gz OIMSTLBJJLXUIV-UHFFFAOYSA-N 2 1 302.397 2.937 20 0 DFADMP CCCC[C@H]([NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289408274 426649085 /nfs/dbraw/zinc/64/90/85/426649085.db2.gz UKRGHUSZCZGEMJ-MJGOQNOKSA-N 2 1 320.477 2.971 20 0 DFADMP CCCC[C@H]([NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccc(OC)cc1 ZINC000289408274 426649087 /nfs/dbraw/zinc/64/90/87/426649087.db2.gz UKRGHUSZCZGEMJ-MJGOQNOKSA-N 2 1 320.477 2.971 20 0 DFADMP CC[N@H+](CCC[NH+]1CCCC1)Cc1cnc2c(c1)c(C)nn2C ZINC000289431245 426656345 /nfs/dbraw/zinc/65/63/45/426656345.db2.gz KSBRVGUASOBHMM-UHFFFAOYSA-N 2 1 315.465 2.585 20 0 DFADMP CC[N@@H+](CCC[NH+]1CCCC1)Cc1cnc2c(c1)c(C)nn2C ZINC000289431245 426656349 /nfs/dbraw/zinc/65/63/49/426656349.db2.gz KSBRVGUASOBHMM-UHFFFAOYSA-N 2 1 315.465 2.585 20 0 DFADMP CC[C@]1(C[NH2+][C@H]2CC[N@@H+](C)[C@H](C)C2)OCCc2ccccc21 ZINC000289614771 426670964 /nfs/dbraw/zinc/67/09/64/426670964.db2.gz DGUOEJCTIULMEA-HHXXYDBFSA-N 2 1 302.462 2.937 20 0 DFADMP CC(C)[N@@H+](C)Cc1cccc(CNC(=O)[C@]2(C)CCCC[NH2+]2)c1 ZINC000236664748 426672355 /nfs/dbraw/zinc/67/23/55/426672355.db2.gz UZVTYEKBZHRYNV-IBGZPJMESA-N 2 1 317.477 2.675 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+][C@@H](C)CC(=O)N1CCCCCC1 ZINC000178703916 426679020 /nfs/dbraw/zinc/67/90/20/426679020.db2.gz VYQNSEYSUHAYGJ-HOTGVXAUSA-N 2 1 320.481 2.598 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C1CC1 ZINC000289323553 426627790 /nfs/dbraw/zinc/62/77/90/426627790.db2.gz GMMZDTXULLWIMI-QZTJIDSGSA-N 2 1 306.425 2.712 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+][C@@H](c1ccc(F)cc1)C1CCC1)C1CC1 ZINC000289323553 426627791 /nfs/dbraw/zinc/62/77/91/426627791.db2.gz GMMZDTXULLWIMI-QZTJIDSGSA-N 2 1 306.425 2.712 20 0 DFADMP COC(=O)c1ccccc1CC[N@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000187086056 426628627 /nfs/dbraw/zinc/62/86/27/426628627.db2.gz LEBLWQVQWCFBED-QGZVFWFLSA-N 2 1 318.461 2.822 20 0 DFADMP COC(=O)c1ccccc1CC[N@@H+](C)CC[C@H]1CCCC[NH+]1C ZINC000187086056 426628632 /nfs/dbraw/zinc/62/86/32/426628632.db2.gz LEBLWQVQWCFBED-QGZVFWFLSA-N 2 1 318.461 2.822 20 0 DFADMP COC(=O)c1ccccc1CC[NH+](C)CC[C@H]1CCCC[N@@H+]1C ZINC000187086056 426628639 /nfs/dbraw/zinc/62/86/39/426628639.db2.gz LEBLWQVQWCFBED-QGZVFWFLSA-N 2 1 318.461 2.822 20 0 DFADMP COC(=O)c1ccccc1CC[NH+](C)CC[C@H]1CCCC[N@H+]1C ZINC000187086056 426628644 /nfs/dbraw/zinc/62/86/44/426628644.db2.gz LEBLWQVQWCFBED-QGZVFWFLSA-N 2 1 318.461 2.822 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[NH+]2C[C@@H](O)C[N@@H+](C)C2CC2)c1 ZINC000289330408 426629237 /nfs/dbraw/zinc/62/92/37/426629237.db2.gz HQXNOTFPUQQRNF-PKOBYXMFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[NH+]2C[C@@H](O)C[N@H+](C)C2CC2)c1 ZINC000289330408 426629241 /nfs/dbraw/zinc/62/92/41/426629241.db2.gz HQXNOTFPUQQRNF-PKOBYXMFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[N@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000289330408 426629246 /nfs/dbraw/zinc/62/92/46/426629246.db2.gz HQXNOTFPUQQRNF-PKOBYXMFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1ccc(C)c([C@H]2CCC[N@@H+]2C[C@@H](O)C[NH+](C)C2CC2)c1 ZINC000289330408 426629252 /nfs/dbraw/zinc/62/92/52/426629252.db2.gz HQXNOTFPUQQRNF-PKOBYXMFSA-N 2 1 302.462 2.895 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CC(=O)N(CC(C)C)C(C)C ZINC000178750944 426687697 /nfs/dbraw/zinc/68/76/97/426687697.db2.gz RHLWILOCONXPHU-KRWDZBQOSA-N 2 1 320.481 2.549 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CC(=O)N(CC(C)C)C(C)C ZINC000178750944 426687703 /nfs/dbraw/zinc/68/77/03/426687703.db2.gz RHLWILOCONXPHU-KRWDZBQOSA-N 2 1 320.481 2.549 20 0 DFADMP CC[N@H+](Cc1cnns1)CC1CCN(c2ccccn2)CC1 ZINC000290155034 426705044 /nfs/dbraw/zinc/70/50/44/426705044.db2.gz WYIZURNWSODNAH-UHFFFAOYSA-N 2 1 317.462 2.672 20 0 DFADMP CCN(Cc1cnns1)CC1CCN(c2ccccn2)CC1 ZINC000290155034 426705046 /nfs/dbraw/zinc/70/50/46/426705046.db2.gz WYIZURNWSODNAH-UHFFFAOYSA-N 2 1 317.462 2.672 20 0 DFADMP Cc1[nH+]ccn1-c1ccc([C@@H](C)NC(=O)C[C@@H]2CCC[NH2+]2)cc1 ZINC000178846001 426707702 /nfs/dbraw/zinc/70/77/02/426707702.db2.gz QBHAETJWEXFUNR-CJNGLKHVSA-N 2 1 312.417 2.500 20 0 DFADMP CN(Cc1cccc(C(F)(F)F)c1)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000290095047 426691482 /nfs/dbraw/zinc/69/14/82/426691482.db2.gz WDQJVWRPXBRQIN-OAHLLOKOSA-N 2 1 316.367 2.592 20 0 DFADMP C[C@@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1 ZINC000237548889 426693310 /nfs/dbraw/zinc/69/33/10/426693310.db2.gz RPOAMUVPMFDQKO-MUQADHOPSA-N 2 1 317.477 2.559 20 0 DFADMP C[C@H]1CC[N@H+](CCc2cncn2C)CCN1Cc1ccccc1 ZINC000290140863 426701211 /nfs/dbraw/zinc/70/12/11/426701211.db2.gz VSHDAGBWWAHKAU-KRWDZBQOSA-N 2 1 312.461 2.559 20 0 DFADMP C[C@H]1CC[N@@H+](CCc2cncn2C)CCN1Cc1ccccc1 ZINC000290140863 426701215 /nfs/dbraw/zinc/70/12/15/426701215.db2.gz VSHDAGBWWAHKAU-KRWDZBQOSA-N 2 1 312.461 2.559 20 0 DFADMP [NH3+]CCCCCCC(=O)N1CCC[N@@H+](Cc2ccccc2)CC1 ZINC000237972284 426701374 /nfs/dbraw/zinc/70/13/74/426701374.db2.gz DNJISIRSPBFEEZ-UHFFFAOYSA-N 2 1 317.477 2.630 20 0 DFADMP [NH3+][C@H](CC(=O)N1CCC[N@H+](C2CCCC2)CC1)c1ccccc1 ZINC000178818228 426701707 /nfs/dbraw/zinc/70/17/07/426701707.db2.gz TZNZLJOSDXGNAF-GOSISDBHSA-N 2 1 315.461 2.553 20 0 DFADMP CC(=O)Nc1ccccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000290445969 426767263 /nfs/dbraw/zinc/76/72/63/426767263.db2.gz MCIIIAAPVCDROP-KRWDZBQOSA-N 2 1 315.461 2.809 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000274434230 426767376 /nfs/dbraw/zinc/76/73/76/426767376.db2.gz WFUQTQVIGPYKOG-COXVUDFISA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000274434230 426767380 /nfs/dbraw/zinc/76/73/80/426767380.db2.gz WFUQTQVIGPYKOG-COXVUDFISA-N 2 1 304.434 2.839 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1ccc(F)c(F)c1 ZINC000266743431 426770921 /nfs/dbraw/zinc/77/09/21/426770921.db2.gz ABHSSVKRULZEMU-HIFRSBDPSA-N 2 1 312.404 2.852 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)N(C)CCC[NH+]1CCCC1)c1ccccc1 ZINC000281832929 426774690 /nfs/dbraw/zinc/77/46/90/426774690.db2.gz WNVCXTUPBQGYLA-SFHVURJKSA-N 2 1 317.477 2.624 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000274498640 426780795 /nfs/dbraw/zinc/78/07/95/426780795.db2.gz RACGINOLMPFSKL-CYBMUJFWSA-N 2 1 323.391 2.954 20 0 DFADMP CCc1nccn1[C@@H]1CCC[N@@H+](Cc2cn(C)nc2C(F)F)C1 ZINC000274498640 426780800 /nfs/dbraw/zinc/78/08/00/426780800.db2.gz RACGINOLMPFSKL-CYBMUJFWSA-N 2 1 323.391 2.954 20 0 DFADMP Cn1cnc2cc(C[N@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)ccc21 ZINC000290530996 426785127 /nfs/dbraw/zinc/78/51/27/426785127.db2.gz QRYNTBJRLPKEIA-QGZVFWFLSA-N 2 1 312.461 2.737 20 0 DFADMP CCC[N@@H+](CCC[NH+](C)C)Cc1ccc(-n2cncn2)c(C)c1 ZINC000290312194 426739035 /nfs/dbraw/zinc/73/90/35/426739035.db2.gz CGCZBSLDDCKBNO-UHFFFAOYSA-N 2 1 315.465 2.739 20 0 DFADMP C[C@@H]1C[N@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316431 426740339 /nfs/dbraw/zinc/74/03/39/426740339.db2.gz COVHEWFCKYHVPX-CZUORRHYSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316431 426740342 /nfs/dbraw/zinc/74/03/42/426740342.db2.gz COVHEWFCKYHVPX-CZUORRHYSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316431 426740346 /nfs/dbraw/zinc/74/03/46/426740346.db2.gz COVHEWFCKYHVPX-CZUORRHYSA-N 2 1 318.490 2.921 20 0 DFADMP C[C@@H]1C[NH+](C)CC[C@H]1[N@@H+](C)Cc1ccc(-c2cnn(C)c2)s1 ZINC000290316431 426740350 /nfs/dbraw/zinc/74/03/50/426740350.db2.gz COVHEWFCKYHVPX-CZUORRHYSA-N 2 1 318.490 2.921 20 0 DFADMP CCOc1cc(C[N@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290348731 426746645 /nfs/dbraw/zinc/74/66/45/426746645.db2.gz FYBUYJKOAYWUIA-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[N@@H+](C)[C@H]2CC[NH+](C)C[C@H]2C)ccc1OC ZINC000290348731 426746648 /nfs/dbraw/zinc/74/66/48/426746648.db2.gz FYBUYJKOAYWUIA-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@H+](C)C[C@H]2C)ccc1OC ZINC000290348731 426746653 /nfs/dbraw/zinc/74/66/53/426746653.db2.gz FYBUYJKOAYWUIA-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CCOc1cc(C[NH+](C)[C@H]2CC[N@@H+](C)C[C@H]2C)ccc1OC ZINC000290348731 426746659 /nfs/dbraw/zinc/74/66/59/426746659.db2.gz FYBUYJKOAYWUIA-ZBFHGGJFSA-N 2 1 306.450 2.866 20 0 DFADMP CCCC[N@@H+](C)C[C@@H](C)NC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000290359986 426749228 /nfs/dbraw/zinc/74/92/28/426749228.db2.gz JOYCDFSRVASQNI-OAHLLOKOSA-N 2 1 320.481 2.990 20 0 DFADMP CC1CC[NH+](CCN2CC[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000245637744 426758857 /nfs/dbraw/zinc/75/88/57/426758857.db2.gz CLUSCPXTUQVGTB-IBGZPJMESA-N 2 1 301.478 2.707 20 0 DFADMP CC1CC[NH+](CCN2CC[N@@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000245637744 426758862 /nfs/dbraw/zinc/75/88/62/426758862.db2.gz CLUSCPXTUQVGTB-IBGZPJMESA-N 2 1 301.478 2.707 20 0 DFADMP Cc1nccn1CCC[N@H+](C)Cc1ccc(N(C)C(C)C)nc1 ZINC000290419738 426760352 /nfs/dbraw/zinc/76/03/52/426760352.db2.gz KOQWYIJBASMHGC-UHFFFAOYSA-N 2 1 315.465 2.953 20 0 DFADMP Cc1[nH+]ccn1CCC[N@H+](C)Cc1ccc(N(C)C(C)C)nc1 ZINC000290419738 426760357 /nfs/dbraw/zinc/76/03/57/426760357.db2.gz KOQWYIJBASMHGC-UHFFFAOYSA-N 2 1 315.465 2.953 20 0 DFADMP C[C@@H](O)[C@@](C)(C[NH2+][C@@H]1CC[N@@H+](C)[C@@H](C)C1)Cc1ccccc1 ZINC000188902085 426798171 /nfs/dbraw/zinc/79/81/71/426798171.db2.gz OXGFUDFMGQIQAQ-QFHJOOASSA-N 2 1 304.478 2.689 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1N(C)Cc1csc(-c2ccccn2)n1 ZINC000290588990 426800239 /nfs/dbraw/zinc/80/02/39/426800239.db2.gz VDIMJXDEZYOAHR-BBRMVZONSA-N 2 1 316.474 2.977 20 0 DFADMP COCc1ccc(C[N@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)cc1 ZINC000290664213 426815174 /nfs/dbraw/zinc/81/51/74/426815174.db2.gz ZXCWZDVYNNGNDH-IBGZPJMESA-N 2 1 302.462 2.997 20 0 DFADMP Cn1cc(C[N@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccccc2)n1 ZINC000179734510 426815562 /nfs/dbraw/zinc/81/55/62/426815562.db2.gz HJCMTYNUYNEIGX-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(C[N@@H+](C)C[C@H]2CCC[NH+](C)C2)c(-c2ccccc2)n1 ZINC000179734510 426815566 /nfs/dbraw/zinc/81/55/66/426815566.db2.gz HJCMTYNUYNEIGX-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@H+](C)C2)c(-c2ccccc2)n1 ZINC000179734510 426815568 /nfs/dbraw/zinc/81/55/68/426815568.db2.gz HJCMTYNUYNEIGX-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1cc(C[NH+](C)C[C@H]2CCC[N@@H+](C)C2)c(-c2ccccc2)n1 ZINC000179734510 426815571 /nfs/dbraw/zinc/81/55/71/426815571.db2.gz HJCMTYNUYNEIGX-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC000246302928 426818212 /nfs/dbraw/zinc/81/82/12/426818212.db2.gz ARRADPMDIJOXLM-ROUUACIJSA-N 2 1 323.525 2.735 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@]1(O)CCSC1 ZINC000267104243 426825122 /nfs/dbraw/zinc/82/51/22/426825122.db2.gz XCRGHQUNJZAIOR-GOSISDBHSA-N 2 1 322.518 2.602 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)C1 ZINC000189204906 426827752 /nfs/dbraw/zinc/82/77/52/426827752.db2.gz YQMZBXABJRNXKC-KRWDZBQOSA-N 2 1 310.482 2.916 20 0 DFADMP CC(C)OC(=O)C[C@@H]1CCC[N@@H+](CCC[NH+]2CCCCC2)C1 ZINC000189204906 426827756 /nfs/dbraw/zinc/82/77/56/426827756.db2.gz YQMZBXABJRNXKC-KRWDZBQOSA-N 2 1 310.482 2.916 20 0 DFADMP O[C@H](Cc1ccccc1)C[N@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000246468647 426837032 /nfs/dbraw/zinc/83/70/32/426837032.db2.gz FVYGLUJEYNXFLD-DFQSSKMNSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246468647 426837037 /nfs/dbraw/zinc/83/70/37/426837037.db2.gz FVYGLUJEYNXFLD-DFQSSKMNSA-N 2 1 314.473 2.539 20 0 DFADMP O[C@H](Cc1ccccc1)C[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C2CC2)C1 ZINC000246468647 426837042 /nfs/dbraw/zinc/83/70/42/426837042.db2.gz FVYGLUJEYNXFLD-DFQSSKMNSA-N 2 1 314.473 2.539 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246477711 426837113 /nfs/dbraw/zinc/83/71/13/426837113.db2.gz HIQJSEDGURJEEI-MAUKXSAKSA-N 2 1 302.462 2.826 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246477711 426837114 /nfs/dbraw/zinc/83/71/14/426837114.db2.gz HIQJSEDGURJEEI-MAUKXSAKSA-N 2 1 302.462 2.826 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCc2ccc3c(c2)CCO3)[C@@H](C)C1 ZINC000246477711 426837120 /nfs/dbraw/zinc/83/71/20/426837120.db2.gz HIQJSEDGURJEEI-MAUKXSAKSA-N 2 1 302.462 2.826 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCC[C@@H]2c2ccccc2)CC1(C)C ZINC000282141660 426837862 /nfs/dbraw/zinc/83/78/62/426837862.db2.gz CCCMWIWUFJMWMQ-RTBURBONSA-N 2 1 315.505 2.938 20 0 DFADMP C[C@@H](CC[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)c1ccccc1 ZINC000282167521 426844750 /nfs/dbraw/zinc/84/47/50/426844750.db2.gz DTAOSWWRIQQZCO-KRWDZBQOSA-N 2 1 303.494 2.796 20 0 DFADMP C[N@H+](CCC[NH2+]Cc1c[nH]c2nccnc12)C1CCCCC1 ZINC000290823448 426848066 /nfs/dbraw/zinc/84/80/66/426848066.db2.gz HEVUXOKPEIUVQY-UHFFFAOYSA-N 2 1 301.438 2.702 20 0 DFADMP C[N@@H+](CCC[NH2+]Cc1c[nH]c2nccnc12)C1CCCCC1 ZINC000290823448 426848072 /nfs/dbraw/zinc/84/80/72/426848072.db2.gz HEVUXOKPEIUVQY-UHFFFAOYSA-N 2 1 301.438 2.702 20 0 DFADMP CC[NH+]1CCN(C[C@H](C)CNc2cc[nH+]c3ccccc23)CC1 ZINC000189442191 426856316 /nfs/dbraw/zinc/85/63/16/426856316.db2.gz RUGAFHDYHUDFDU-MRXNPFEDSA-N 2 1 312.461 2.920 20 0 DFADMP Cc1cnc(C[NH+]2CCC(C[NH+]3C[C@@H](C)O[C@H](C)C3)CC2)s1 ZINC000180465494 426862355 /nfs/dbraw/zinc/86/23/55/426862355.db2.gz WKUIIOPJZKUPNY-ZIAGYGMSSA-N 2 1 323.506 2.773 20 0 DFADMP C[C@H](CC(N)=O)[NH2+]Cc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000267285572 426863963 /nfs/dbraw/zinc/86/39/63/426863963.db2.gz WIXUWDRDIOUIKE-OAHLLOKOSA-N 2 1 317.477 2.805 20 0 DFADMP C[N@H+]1CCN(CC[NH2+][C@@H]2CCCc3cc(F)ccc32)CC1(C)C ZINC000282267380 426866063 /nfs/dbraw/zinc/86/60/63/426866063.db2.gz KIAUKCVFRJCNLI-GOSISDBHSA-N 2 1 319.468 2.819 20 0 DFADMP C[N@@H+](CCOCC(F)F)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000189482831 426866680 /nfs/dbraw/zinc/86/66/80/426866680.db2.gz ZQYDJROIEIIJGV-INIZCTEOSA-N 2 1 312.404 2.722 20 0 DFADMP C[NH+](CCOCC(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000189482831 426866686 /nfs/dbraw/zinc/86/66/86/426866686.db2.gz ZQYDJROIEIIJGV-INIZCTEOSA-N 2 1 312.404 2.722 20 0 DFADMP C[NH+](CCOCC(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000189482831 426866693 /nfs/dbraw/zinc/86/66/93/426866693.db2.gz ZQYDJROIEIIJGV-INIZCTEOSA-N 2 1 312.404 2.722 20 0 DFADMP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)C1 ZINC000246851236 426872583 /nfs/dbraw/zinc/87/25/83/426872583.db2.gz CAVRXJXFPKIDMT-WCXIOVBPSA-N 2 1 317.477 2.592 20 0 DFADMP CN(C)C[C@@H]1C[N@@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000189510305 426873301 /nfs/dbraw/zinc/87/33/01/426873301.db2.gz VMCZNTOLNDQZIW-QRVBRYPASA-N 2 1 302.462 2.759 20 0 DFADMP CN(C)C[C@@H]1C[N@H+]([C@@H]2CC[C@](C)(c3ccccc3)C2)CCO1 ZINC000189510305 426873306 /nfs/dbraw/zinc/87/33/06/426873306.db2.gz VMCZNTOLNDQZIW-QRVBRYPASA-N 2 1 302.462 2.759 20 0 DFADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)ccn1 ZINC000267331508 426874641 /nfs/dbraw/zinc/87/46/41/426874641.db2.gz JDGBWQITUWZHMH-CQSZACIVSA-N 2 1 316.449 2.741 20 0 DFADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)cc[nH+]1 ZINC000267331508 426874642 /nfs/dbraw/zinc/87/46/42/426874642.db2.gz JDGBWQITUWZHMH-CQSZACIVSA-N 2 1 316.449 2.741 20 0 DFADMP CN(C)c1cc(NC(=O)[C@@H]2CC[N@H+](C3CCCCC3)C2)cc[nH+]1 ZINC000267331508 426874648 /nfs/dbraw/zinc/87/46/48/426874648.db2.gz JDGBWQITUWZHMH-CQSZACIVSA-N 2 1 316.449 2.741 20 0 DFADMP CC(C)OC1CC([NH2+]CCC[N@@H+]2CCc3ccccc3C2)C1 ZINC000189515405 426876646 /nfs/dbraw/zinc/87/66/46/426876646.db2.gz LDRQTQLEJCNRSQ-UHFFFAOYSA-N 2 1 302.462 2.980 20 0 DFADMP CC(C)OC1CC([NH2+]CCC[N@H+]2CCc3ccccc3C2)C1 ZINC000189515405 426876651 /nfs/dbraw/zinc/87/66/51/426876651.db2.gz LDRQTQLEJCNRSQ-UHFFFAOYSA-N 2 1 302.462 2.980 20 0 DFADMP Cc1ccc2c(c1)[C@H]([NH2+]CCC[NH+]1CCC(O)CC1)CCCO2 ZINC000305104222 426879406 /nfs/dbraw/zinc/87/94/06/426879406.db2.gz CHDHXYZDLWLYFT-GOSISDBHSA-N 2 1 318.461 2.645 20 0 DFADMP COCC1(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)CCC1 ZINC000291194055 426880336 /nfs/dbraw/zinc/88/03/36/426880336.db2.gz PMIPHBHWQYZYPX-MRXNPFEDSA-N 2 1 303.450 2.941 20 0 DFADMP COCC1(C[N@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)CCC1 ZINC000291194055 426880339 /nfs/dbraw/zinc/88/03/39/426880339.db2.gz PMIPHBHWQYZYPX-MRXNPFEDSA-N 2 1 303.450 2.941 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)CC[N@H+]1C ZINC000246947538 426883381 /nfs/dbraw/zinc/88/33/81/426883381.db2.gz HXXGADDQAFIHTP-BFYDXBDKSA-N 2 1 305.441 2.724 20 0 DFADMP CC1CC[NH+](C[C@@H](O)C[NH2+][C@@H]2CCCc3sccc32)CC1 ZINC000305130330 426885004 /nfs/dbraw/zinc/88/50/04/426885004.db2.gz MQUFFCYQBHALJA-GOEBONIOSA-N 2 1 308.491 2.808 20 0 DFADMP c1cn2c([nH+]1)CC[C@@H](C[NH2+]Cc1cnc([C@@H]3CCCO3)s1)C2 ZINC000275646383 426886690 /nfs/dbraw/zinc/88/66/90/426886690.db2.gz UBPMUUCIZLCATK-JSGCOSHPSA-N 2 1 318.446 2.543 20 0 DFADMP c1cc([C@H]2OCCC[C@@H]2[NH2+][C@@H]2CC[N@H+]3CCC[C@@H]3C2)ccn1 ZINC000275690977 426900164 /nfs/dbraw/zinc/90/01/64/426900164.db2.gz WYGLXIFEBBGNSA-ZJPYXAASSA-N 2 1 301.434 2.518 20 0 DFADMP CC[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](CC)O[C@@H](C)C2)C[C@@H](C)O1 ZINC000247080036 426902480 /nfs/dbraw/zinc/90/24/80/426902480.db2.gz SYZIPMKQUBECGI-XMTFNYHQSA-N 2 1 312.498 2.765 20 0 DFADMP CC[C@@H]1C[NH+](CCCC[N@@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000247080036 426902486 /nfs/dbraw/zinc/90/24/86/426902486.db2.gz SYZIPMKQUBECGI-XMTFNYHQSA-N 2 1 312.498 2.765 20 0 DFADMP CC[C@@H]1C[NH+](CCCC[N@H+]2C[C@@H](C)O[C@H](CC)C2)C[C@H](C)O1 ZINC000247080036 426902494 /nfs/dbraw/zinc/90/24/94/426902494.db2.gz SYZIPMKQUBECGI-XMTFNYHQSA-N 2 1 312.498 2.765 20 0 DFADMP C[C@H](c1cccnc1)N1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000268071361 426906939 /nfs/dbraw/zinc/90/69/39/426906939.db2.gz CKZXMHDDMYXICD-MJGOQNOKSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@H](c1cccnc1)[NH+]1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000268071361 426906944 /nfs/dbraw/zinc/90/69/44/426906944.db2.gz CKZXMHDDMYXICD-MJGOQNOKSA-N 2 1 316.493 2.635 20 0 DFADMP C[C@H](c1cccnc1)[NH+]1CCN(CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000268071361 426906952 /nfs/dbraw/zinc/90/69/52/426906952.db2.gz CKZXMHDDMYXICD-MJGOQNOKSA-N 2 1 316.493 2.635 20 0 DFADMP C[N@H+]1CCN(CC[NH2+]Cc2c(F)cccc2Cl)CC1(C)C ZINC000282428873 426910918 /nfs/dbraw/zinc/91/09/18/426910918.db2.gz REJDLKITYLZTHR-UHFFFAOYSA-N 2 1 313.848 2.595 20 0 DFADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC000247202589 426912808 /nfs/dbraw/zinc/91/28/08/426912808.db2.gz WMFITVLNSJTKQW-HOCLYGCPSA-N 2 1 303.450 2.998 20 0 DFADMP CCCC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+](C)[C@@H](C)C2)c1 ZINC000247202589 426912815 /nfs/dbraw/zinc/91/28/15/426912815.db2.gz WMFITVLNSJTKQW-HOCLYGCPSA-N 2 1 303.450 2.998 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC[C@H]1[NH3+] ZINC000316802368 426950698 /nfs/dbraw/zinc/95/06/98/426950698.db2.gz HVSNBAZYEUWDBX-XJKCOSOUSA-N 2 1 304.434 2.578 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2cc3c(cc2OC)C[C@@H](C)O3)CC[C@H]1[NH3+] ZINC000316802368 426950705 /nfs/dbraw/zinc/95/07/05/426950705.db2.gz HVSNBAZYEUWDBX-XJKCOSOUSA-N 2 1 304.434 2.578 20 0 DFADMP COc1c(Br)cccc1C[NH2+]C[C@H](C)C[NH+](C)C ZINC000291701616 426957292 /nfs/dbraw/zinc/95/72/92/426957292.db2.gz KELDWFZLJANKBL-NSHDSACASA-N 2 1 315.255 2.745 20 0 DFADMP CC1(C)C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000337779727 426968467 /nfs/dbraw/zinc/96/84/67/426968467.db2.gz AJKOYEVEELWSEZ-ROUUACIJSA-N 2 1 302.462 2.913 20 0 DFADMP CC1(C)C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CCOC1 ZINC000337779727 426968474 /nfs/dbraw/zinc/96/84/74/426968474.db2.gz AJKOYEVEELWSEZ-ROUUACIJSA-N 2 1 302.462 2.913 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])c2ccccc21)c1ccc2[nH]c(=O)[nH]c2c1 ZINC000321996089 426971378 /nfs/dbraw/zinc/97/13/78/426971378.db2.gz LMYNRMJKKCVLFF-DRZCJDIDSA-N 2 1 308.385 2.652 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181693532 426972793 /nfs/dbraw/zinc/97/27/93/426972793.db2.gz QHLYWRRRKYQYJN-XBVQOTNRSA-N 2 1 303.450 2.765 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000181693572 426974016 /nfs/dbraw/zinc/97/40/16/426974016.db2.gz QHLYWRRRKYQYJN-IWCQGFGOSA-N 2 1 303.450 2.765 20 0 DFADMP C[C@H]1C[N@@H+](C)CC[C@@H]1NC1CC[NH+](CCc2ccccc2)CC1 ZINC000323623271 426974713 /nfs/dbraw/zinc/97/47/13/426974713.db2.gz DCDZKBSMMSABNN-PXNSSMCTSA-N 2 1 315.505 2.623 20 0 DFADMP C[N@@H+](CCN1CC[C@H](C[NH+]2CCCC2)C1)Cc1ccc(F)cc1 ZINC000181714226 426975967 /nfs/dbraw/zinc/97/59/67/426975967.db2.gz YBFRFTKTVMKSFK-GOSISDBHSA-N 2 1 319.468 2.675 20 0 DFADMP COc1ccc(C[NH2+]C[C@H](C)C[NH+](C)C)cc1Br ZINC000291782618 426986145 /nfs/dbraw/zinc/98/61/45/426986145.db2.gz UZQMZLBJTAHSFJ-NSHDSACASA-N 2 1 315.255 2.745 20 0 DFADMP C[C@@H](CC[NH2+]CCCc1cnn(C)c1)[N@@H+](C)Cc1ccccc1 ZINC000314451059 426928206 /nfs/dbraw/zinc/92/82/06/426928206.db2.gz GEPYDLIDUFIIGB-KRWDZBQOSA-N 2 1 314.477 2.853 20 0 DFADMP COc1ccccc1OCC[N@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337698202 426929288 /nfs/dbraw/zinc/92/92/88/426929288.db2.gz ZPGGYMMXRCPRQW-UHFFFAOYSA-N 2 1 306.450 2.879 20 0 DFADMP COc1ccccc1OCC[N@@H+](C)C1CC[NH+](C(C)C)CC1 ZINC000337698202 426929295 /nfs/dbraw/zinc/92/92/95/426929295.db2.gz ZPGGYMMXRCPRQW-UHFFFAOYSA-N 2 1 306.450 2.879 20 0 DFADMP C[C@H](C[NH2+]Cc1ccccc1OCc1ccccn1)C[NH+](C)C ZINC000291641773 426937356 /nfs/dbraw/zinc/93/73/56/426937356.db2.gz BRCMNQZFNFZNHH-MRXNPFEDSA-N 2 1 313.445 2.948 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC[N@@H+]1C ZINC000181327095 426939746 /nfs/dbraw/zinc/93/97/46/426939746.db2.gz PGIGKFMQWWARTO-WCQYABFASA-N 2 1 317.355 2.552 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCOc2ccc(C(F)(F)F)cn2)CC[N@H+]1C ZINC000181327095 426939751 /nfs/dbraw/zinc/93/97/51/426939751.db2.gz PGIGKFMQWWARTO-WCQYABFASA-N 2 1 317.355 2.552 20 0 DFADMP COc1ccccc1OCC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000316198874 426943108 /nfs/dbraw/zinc/94/31/08/426943108.db2.gz PEYLDEWWXWFIFF-HOTGVXAUSA-N 2 1 304.434 2.538 20 0 DFADMP COc1ccccc1OCC[N@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000316198874 426943113 /nfs/dbraw/zinc/94/31/13/426943113.db2.gz PEYLDEWWXWFIFF-HOTGVXAUSA-N 2 1 304.434 2.538 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1c[nH]nc1-c1ccsc1 ZINC000337950981 427056666 /nfs/dbraw/zinc/05/66/66/427056666.db2.gz TXYLQTRVWAWEBC-UHFFFAOYSA-N 2 1 301.419 2.823 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000276205148 427006628 /nfs/dbraw/zinc/00/66/28/427006628.db2.gz JXGMSQLNSYUEMF-HOCLYGCPSA-N 2 1 312.404 2.768 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOCC(F)F ZINC000276205148 427006635 /nfs/dbraw/zinc/00/66/35/427006635.db2.gz JXGMSQLNSYUEMF-HOCLYGCPSA-N 2 1 312.404 2.768 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]C2CC(OC(C)C)C2)[C@@H](C)C1 ZINC000248638965 427024278 /nfs/dbraw/zinc/02/42/78/427024278.db2.gz MPGJFCQUEKITHQ-FCCDEINASA-N 2 1 312.498 2.669 20 0 DFADMP CCC[C@H](C(=O)NCC(C)(C)[N@@H+]1C[C@H](C)C[C@H](C)C1)[NH+](C)C ZINC000337948139 427054335 /nfs/dbraw/zinc/05/43/35/427054335.db2.gz KVUJEGXKRSHIJL-OWCLPIDISA-N 2 1 311.514 2.589 20 0 DFADMP CCC[NH+]1CCC([N@@H+](C)C[C@@H](O)CCc2ccccc2)CC1 ZINC000182438403 427075146 /nfs/dbraw/zinc/07/51/46/427075146.db2.gz NMGSGYXTPKBOSA-IBGZPJMESA-N 2 1 304.478 2.786 20 0 DFADMP Cc1cc(N2CCN(C[C@@H]3CC[C@@H](C)O3)CC2)nc(C(C)C)n1 ZINC000190350828 427082526 /nfs/dbraw/zinc/08/25/26/427082526.db2.gz RBHPYNZFTCOIQX-CVEARBPZSA-N 2 1 318.465 2.598 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)NCc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000249060682 427083871 /nfs/dbraw/zinc/08/38/71/427083871.db2.gz PFMJNQKMGBDBDS-PMPSAXMXSA-N 2 1 317.477 2.518 20 0 DFADMP C[C@@H](CCCC[NH3+])NC(=O)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000292097333 427088382 /nfs/dbraw/zinc/08/83/82/427088382.db2.gz OAMDRMBQHIFCAX-FUHWJXTLSA-N 2 1 317.477 2.532 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268697852 427093221 /nfs/dbraw/zinc/09/32/21/427093221.db2.gz AFEBDSYFXGSZNC-MRXNPFEDSA-N 2 1 317.477 2.658 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)NC[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000249282433 427104248 /nfs/dbraw/zinc/10/42/48/427104248.db2.gz HCCWLAYELHOBGS-SJLPKXTDSA-N 2 1 317.477 2.528 20 0 DFADMP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268736317 427106668 /nfs/dbraw/zinc/10/66/68/427106668.db2.gz BQYWMOHNGTVPMM-WMZOPIPTSA-N 2 1 317.477 2.544 20 0 DFADMP CC(C)NC(=O)CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268736317 427106675 /nfs/dbraw/zinc/10/66/75/427106675.db2.gz BQYWMOHNGTVPMM-WMZOPIPTSA-N 2 1 317.477 2.544 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000283987021 427112314 /nfs/dbraw/zinc/11/23/14/427112314.db2.gz PLQJXBUNKNUECH-CQSZACIVSA-N 2 1 314.433 2.575 20 0 DFADMP CC[NH+](CC)CCCN1CC[N@@H+](C)[C@H](Cc2ccccc2)C1 ZINC000283999009 427113410 /nfs/dbraw/zinc/11/34/10/427113410.db2.gz DNADIEBIKSRYFG-LJQANCHMSA-N 2 1 303.494 2.577 20 0 DFADMP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000268783164 427114398 /nfs/dbraw/zinc/11/43/98/427114398.db2.gz QNJPOHATYABZAB-SJLPKXTDSA-N 2 1 316.493 2.892 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H](C)C1 ZINC000268783164 427114405 /nfs/dbraw/zinc/11/44/05/427114405.db2.gz QNJPOHATYABZAB-SJLPKXTDSA-N 2 1 316.493 2.892 20 0 DFADMP COCC[N@@H+](C)CCC[NH2+][C@@H](C)[C@H](C)c1ccc(OC)cc1 ZINC000268790966 427116453 /nfs/dbraw/zinc/11/64/53/427116453.db2.gz CZPNLEROKAVXGQ-HOTGVXAUSA-N 2 1 308.466 2.745 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[NH+]1C ZINC000268795471 427119099 /nfs/dbraw/zinc/11/90/99/427119099.db2.gz HUCGMDJAFBCCKP-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CCC[N@H+]1C ZINC000268795471 427119111 /nfs/dbraw/zinc/11/91/11/427119111.db2.gz HUCGMDJAFBCCKP-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000268795471 427119116 /nfs/dbraw/zinc/11/91/16/427119116.db2.gz HUCGMDJAFBCCKP-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CCCN1C ZINC000268795471 427119121 /nfs/dbraw/zinc/11/91/21/427119121.db2.gz HUCGMDJAFBCCKP-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000268799202 427120878 /nfs/dbraw/zinc/12/08/78/427120878.db2.gz XVZNWRKZQRATAS-QRVBRYPASA-N 2 1 320.452 2.990 20 0 DFADMP COCC[C@H](Cc1cccc(F)c1)[NH2+][C@@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000268799202 427120883 /nfs/dbraw/zinc/12/08/83/427120883.db2.gz XVZNWRKZQRATAS-QRVBRYPASA-N 2 1 320.452 2.990 20 0 DFADMP CNC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H](C)C1 ZINC000268802785 427122722 /nfs/dbraw/zinc/12/27/22/427122722.db2.gz HXFRMGPBLKINQV-HOTGVXAUSA-N 2 1 317.477 2.533 20 0 DFADMP CC[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1nccn1C ZINC000182683810 427125438 /nfs/dbraw/zinc/12/54/38/427125438.db2.gz DTXBPKMYHCGHHY-MRXNPFEDSA-N 2 1 316.449 2.601 20 0 DFADMP CCC[N@@H+]1Cc2cccc(NC(=O)CC[C@@H]3CCC[NH2+]3)c2C1 ZINC000292196524 427127635 /nfs/dbraw/zinc/12/76/35/427127635.db2.gz XWWODMARFYEWNT-HNNXBMFYSA-N 2 1 301.434 2.883 20 0 DFADMP CCC[N@H+]1Cc2cccc(NC(=O)CC[C@@H]3CCC[NH2+]3)c2C1 ZINC000292196524 427127642 /nfs/dbraw/zinc/12/76/42/427127642.db2.gz XWWODMARFYEWNT-HNNXBMFYSA-N 2 1 301.434 2.883 20 0 DFADMP C[N@H+]1CC[C@]2(CC[NH+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220668 427136977 /nfs/dbraw/zinc/13/69/77/427136977.db2.gz UWLVGXHKBJTFNP-RTWAWAEBSA-N 2 1 324.468 2.771 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220668 427136984 /nfs/dbraw/zinc/13/69/84/427136984.db2.gz UWLVGXHKBJTFNP-RTWAWAEBSA-N 2 1 324.468 2.771 20 0 DFADMP C[NH+]1CC[C@]2(CC[N@@H+](C[C@H](O)Cc3ccc4ccccc4c3)C2)C1 ZINC000292220668 427136990 /nfs/dbraw/zinc/13/69/90/427136990.db2.gz UWLVGXHKBJTFNP-RTWAWAEBSA-N 2 1 324.468 2.771 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)c2ccc([S@@](C)=O)cc2)[C@H](C)C1 ZINC000268902947 427139719 /nfs/dbraw/zinc/13/97/19/427139719.db2.gz DEXZCPWOITWQBE-COESMTMPSA-N 2 1 308.491 2.805 20 0 DFADMP CSC[C@](C)(O)C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000268978017 427143090 /nfs/dbraw/zinc/14/30/90/427143090.db2.gz CJFYVTXHKKCCOL-RYQLBKOJSA-N 2 1 322.518 2.743 20 0 DFADMP COCCOc1ccc([C@@H](C)[NH2+][C@H](C)CC[NH+](C)C)cc1OC ZINC000268978317 427143563 /nfs/dbraw/zinc/14/35/63/427143563.db2.gz HJHRRFVYEYAWRL-HUUCEWRRSA-N 2 1 324.465 2.711 20 0 DFADMP CC[NH+](CC)[C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC000174120138 271127116 /nfs/dbraw/zinc/12/71/16/271127116.db2.gz ADQRUICJLJALLW-ROUUACIJSA-N 2 1 317.477 2.622 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1CCOc1cccc(F)c1 ZINC000178298847 271190969 /nfs/dbraw/zinc/19/09/69/271190969.db2.gz KXFGQTSOJIUGBY-INIZCTEOSA-N 2 1 303.381 2.874 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1CCOc1cccc(F)c1 ZINC000178298847 271190972 /nfs/dbraw/zinc/19/09/72/271190972.db2.gz KXFGQTSOJIUGBY-INIZCTEOSA-N 2 1 303.381 2.874 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)NC[C@@H]([NH3+])C(C)C)cc1)C(C)C ZINC000269301975 427165557 /nfs/dbraw/zinc/16/55/57/427165557.db2.gz XSZXUKZJLVXFGQ-QGZVFWFLSA-N 2 1 305.466 2.630 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccc(NC(=O)[C@@]2(C)CC[NH2+]C2)cc1 ZINC000237527271 271250088 /nfs/dbraw/zinc/25/00/88/271250088.db2.gz NLLQZVXSMJFDQH-KXBFYZLASA-N 2 1 315.461 2.999 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccccc2CNC(=O)C(C)(C)C[NH3+])C1 ZINC000237553622 271250806 /nfs/dbraw/zinc/25/08/06/271250806.db2.gz WTJBOOIZZJDVMK-OAHLLOKOSA-N 2 1 317.477 2.520 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC[N@@H+]1C ZINC000279471942 271321545 /nfs/dbraw/zinc/32/15/45/271321545.db2.gz JZYHSFZTHMKZGH-ONERCXAPSA-N 2 1 300.805 2.585 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]C[C@H](O)c2cc(F)cc(Cl)c2)CC[N@H+]1C ZINC000279471942 271321550 /nfs/dbraw/zinc/32/15/50/271321550.db2.gz JZYHSFZTHMKZGH-ONERCXAPSA-N 2 1 300.805 2.585 20 0 DFADMP CCCC[NH+]1CCC([NH2+]Cc2cc(C(=O)OCC)c(C)[nH]2)CC1 ZINC000296409969 427172876 /nfs/dbraw/zinc/17/28/76/427172876.db2.gz LYPIUEZXPLTWQH-UHFFFAOYSA-N 2 1 321.465 2.854 20 0 DFADMP CC1CC[NH+](CCN2CC[N@@H+](C)[C@@H](Cc3ccccc3)C2)CC1 ZINC000284915799 271341129 /nfs/dbraw/zinc/34/11/29/271341129.db2.gz XOPZDGHPAGHKAM-FQEVSTJZSA-N 2 1 315.505 2.577 20 0 DFADMP CC(C)(C)c1cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)no1 ZINC000333860831 271397062 /nfs/dbraw/zinc/39/70/62/271397062.db2.gz PVFGAGOJTGUEPW-NVXWUHKLSA-N 2 1 321.465 2.690 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCCCNC(=O)OC(C)(C)C ZINC000183174613 427217694 /nfs/dbraw/zinc/21/76/94/427217694.db2.gz YWORHWFGJMLSMF-ILXRZTDVSA-N 2 1 313.486 2.610 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@@H+](C)[C@H](C)[C@H]2C)cc1 ZINC000338174279 427172989 /nfs/dbraw/zinc/17/29/89/427172989.db2.gz DWQUNKVKJFDNDG-HZPDHXFCSA-N 2 1 317.477 2.693 20 0 DFADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1Cl ZINC000284288135 427175534 /nfs/dbraw/zinc/17/55/34/427175534.db2.gz KCIULMSDAZVMAS-NWDGAFQWSA-N 2 1 309.841 2.879 20 0 DFADMP COc1ncc([C@H](C)[NH2+]C[C@H]2CC[N@H+](C3CC3)C2)cc1Cl ZINC000284288135 427175537 /nfs/dbraw/zinc/17/55/37/427175537.db2.gz KCIULMSDAZVMAS-NWDGAFQWSA-N 2 1 309.841 2.879 20 0 DFADMP c1ccc(C[C@H](N[C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)nc1 ZINC000338211717 427194094 /nfs/dbraw/zinc/19/40/94/427194094.db2.gz JINMYVHYTXBXHN-AABGKKOBSA-N 2 1 322.456 2.977 20 0 DFADMP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c2cccnc2)nc1 ZINC000338211717 427194100 /nfs/dbraw/zinc/19/41/00/427194100.db2.gz JINMYVHYTXBXHN-AABGKKOBSA-N 2 1 322.456 2.977 20 0 DFADMP c1ccc(C[C@H]([NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)c2cccnc2)nc1 ZINC000338211717 427194106 /nfs/dbraw/zinc/19/41/06/427194106.db2.gz JINMYVHYTXBXHN-AABGKKOBSA-N 2 1 322.456 2.977 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H](Cc2ccccn2)c2cccnc2)C1 ZINC000338218761 427198387 /nfs/dbraw/zinc/19/83/87/427198387.db2.gz WBGLJKWQOZSQPF-VQIMIIECSA-N 2 1 310.445 2.692 20 0 DFADMP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)COC1 ZINC000183141351 427211386 /nfs/dbraw/zinc/21/13/86/427211386.db2.gz BXRDSAIHPOVZNF-CEXWTWQISA-N 2 1 314.473 2.913 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000285472580 427242292 /nfs/dbraw/zinc/24/22/92/427242292.db2.gz AYOSKLZDISIWEL-NEPJUHHUSA-N 2 1 308.447 2.670 20 0 DFADMP COC(=O)c1csc([C@@H](C)[NH2+]C[C@@H]2CC[N@H+](C3CC3)C2)c1 ZINC000285472580 427242297 /nfs/dbraw/zinc/24/22/97/427242297.db2.gz AYOSKLZDISIWEL-NEPJUHHUSA-N 2 1 308.447 2.670 20 0 DFADMP CC(C)[NH+]1CCC(N2CC[NH+]([C@H](C)c3ccccn3)CC2)CC1 ZINC000269672785 427247395 /nfs/dbraw/zinc/24/73/95/427247395.db2.gz ROXKDJMMJADFAD-QGZVFWFLSA-N 2 1 316.493 2.633 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+][C@H](C)c1ccccc1-n1ccnn1 ZINC000285502112 427254299 /nfs/dbraw/zinc/25/42/99/427254299.db2.gz AGUTUTAFSNKFDT-HUUCEWRRSA-N 2 1 324.432 2.759 20 0 DFADMP CC[NH+](CC)CCCN1C[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000338341121 427266912 /nfs/dbraw/zinc/26/69/12/427266912.db2.gz CTFDCSWCUWAMLF-BGYRXZFFSA-N 3 1 315.505 2.782 20 0 DFADMP CC(C)N(C)c1ccc(CN[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cn1 ZINC000191301810 427314555 /nfs/dbraw/zinc/31/45/55/427314555.db2.gz FJEMIRYUWCPQBS-ZBFHGGJFSA-N 2 1 302.466 2.641 20 0 DFADMP CC(C)N(C)c1ccc(CN[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cn1 ZINC000191301810 427314560 /nfs/dbraw/zinc/31/45/60/427314560.db2.gz FJEMIRYUWCPQBS-ZBFHGGJFSA-N 2 1 302.466 2.641 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](C[C@H](O)C2CCCCC2)CC1 ZINC000191340141 427324418 /nfs/dbraw/zinc/32/44/18/427324418.db2.gz IFQNTGOGGURTMP-KRWDZBQOSA-N 2 1 305.466 2.616 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C3CC3)C2)c1 ZINC000270351391 427328629 /nfs/dbraw/zinc/32/86/29/427328629.db2.gz WIVBKHFFTSAEEC-DNVCBOLYSA-N 2 1 315.461 2.847 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[C@@H]3[C@H](CCC[N@H+]3C3CC3)C2)c1 ZINC000270351391 427328637 /nfs/dbraw/zinc/32/86/37/427328637.db2.gz WIVBKHFFTSAEEC-DNVCBOLYSA-N 2 1 315.461 2.847 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3COCC[NH2+]3)C2)cc1 ZINC000261965871 427345660 /nfs/dbraw/zinc/34/56/60/427345660.db2.gz PZEWVEVBJBGODS-NNIGNNQHSA-N 2 1 300.446 2.679 20 0 DFADMP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3COCC[NH2+]3)C2)cc1 ZINC000261965866 427346569 /nfs/dbraw/zinc/34/65/69/427346569.db2.gz PZEWVEVBJBGODS-LTFXXXRZSA-N 2 1 300.446 2.679 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)Cc1ccc(CO)cc1 ZINC000191520393 427369843 /nfs/dbraw/zinc/36/98/43/427369843.db2.gz QWLNSMFDRQCLEN-UHFFFAOYSA-N 2 1 301.434 2.850 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)Cc1ccc(CO)cc1 ZINC000191520393 427369851 /nfs/dbraw/zinc/36/98/51/427369851.db2.gz QWLNSMFDRQCLEN-UHFFFAOYSA-N 2 1 301.434 2.850 20 0 DFADMP CO[C@H](C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21)c1ccccc1 ZINC000338566001 427381193 /nfs/dbraw/zinc/38/11/93/427381193.db2.gz OMNRJMVCXZWNFU-NCXUSEDFSA-N 2 1 318.461 2.558 20 0 DFADMP COc1cccc(CN2CC[C@@]3(C2)CCC[N@@H+](C)C3)c1OC ZINC000293617429 427382826 /nfs/dbraw/zinc/38/28/26/427382826.db2.gz KLTCVTOMKYRART-SFHVURJKSA-N 2 1 304.434 2.622 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCC[C@H]2c2ccncc2)CC1 ZINC000191599661 427384525 /nfs/dbraw/zinc/38/45/25/427384525.db2.gz GWUPHUJEUKFRDS-IBGZPJMESA-N 2 1 316.493 2.635 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000293635029 427390878 /nfs/dbraw/zinc/39/08/78/427390878.db2.gz GUTIYFXLAXKEBD-BZPMIXESSA-N 2 1 315.383 2.961 20 0 DFADMP OCC[C@H](NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000297296963 427391133 /nfs/dbraw/zinc/39/11/33/427391133.db2.gz AZKPRJUYYNIJHC-KRWDZBQOSA-N 2 1 308.853 2.980 20 0 DFADMP OCC[C@H]([NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000297296963 427391137 /nfs/dbraw/zinc/39/11/37/427391137.db2.gz AZKPRJUYYNIJHC-KRWDZBQOSA-N 2 1 308.853 2.980 20 0 DFADMP c1c(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)nc2ncccn12 ZINC000297308034 427397982 /nfs/dbraw/zinc/39/79/82/427397982.db2.gz BMFYCJDNHLXOLA-UHFFFAOYSA-N 2 1 321.428 2.615 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000262528702 427360874 /nfs/dbraw/zinc/36/08/74/427360874.db2.gz HKVABRRTFDKQHL-INMHGKMJSA-N 2 1 323.868 2.719 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N[C@@H]1CC[N@@H+](C)[C@@H]1c1ccc(Cl)cc1 ZINC000262528702 427360877 /nfs/dbraw/zinc/36/08/77/427360877.db2.gz HKVABRRTFDKQHL-INMHGKMJSA-N 2 1 323.868 2.719 20 0 DFADMP CCCC[N@H+]1CCCC[C@@H]1CNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000263292932 427453734 /nfs/dbraw/zinc/45/37/34/427453734.db2.gz XDVJPBXDDARUKI-OKZBNKHCSA-N 2 1 323.525 2.783 20 0 DFADMP Cc1c[nH+]ccc1N1CCC(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000191980323 427455791 /nfs/dbraw/zinc/45/57/91/427455791.db2.gz FBXBHGFVHYBOHX-IYBDPMFKSA-N 2 1 303.450 2.716 20 0 DFADMP COC(=O)[C@H]1CCC[N@@H+](Cc2ccc(-n3ccnc3)cc2C)C1 ZINC000191985107 427457553 /nfs/dbraw/zinc/45/75/53/427457553.db2.gz XUXPJMACZDCBDU-INIZCTEOSA-N 2 1 313.401 2.566 20 0 DFADMP COC(=O)c1coc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c1 ZINC000278834987 427468710 /nfs/dbraw/zinc/46/87/10/427468710.db2.gz UIOALWFDAGGGAV-NWDGAFQWSA-N 2 1 305.378 2.558 20 0 DFADMP C[C@@H]1CCCC[N@H+]1CCCCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000263365611 427471785 /nfs/dbraw/zinc/47/17/85/427471785.db2.gz VXRKPDXPELYZBF-AEFFLSMTSA-N 2 1 317.477 2.847 20 0 DFADMP CC(C)[N@H+]1CCC[C@H](CNC(=O)CC2(C[NH3+])CCCCC2)C1 ZINC000184229301 427420489 /nfs/dbraw/zinc/42/04/89/427420489.db2.gz FFADQAZVAKASIL-MRXNPFEDSA-N 2 1 309.498 2.522 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)CC1(C[NH3+])CCCCC1 ZINC000184238688 427422654 /nfs/dbraw/zinc/42/26/54/427422654.db2.gz VAFMKNMKGUDGDC-INIZCTEOSA-N 2 1 309.498 2.666 20 0 DFADMP C[N@H+]1CCC[C@@]2(CC[NH+](CCCc3ccc4c(c3)CCO4)C2)C1 ZINC000293778167 427432229 /nfs/dbraw/zinc/43/22/29/427432229.db2.gz ZBDZWDXGABQHCU-HXUWFJFHSA-N 2 1 314.473 2.972 20 0 DFADMP Cc1oc2ccccc2c1C[NH+]1CCC([N@H+](C)CCO)CC1 ZINC000271182417 427436282 /nfs/dbraw/zinc/43/62/82/427436282.db2.gz XQAUDPHNBZOOIN-UHFFFAOYSA-N 2 1 302.418 2.630 20 0 DFADMP Cc1oc2ccccc2c1C[NH+]1CCC([N@@H+](C)CCO)CC1 ZINC000271182417 427436288 /nfs/dbraw/zinc/43/62/88/427436288.db2.gz XQAUDPHNBZOOIN-UHFFFAOYSA-N 2 1 302.418 2.630 20 0 DFADMP Cc1cncc([C@H](C)[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000184325327 427437690 /nfs/dbraw/zinc/43/76/90/427437690.db2.gz JYERLNJRTNSYEV-BBWFWOEESA-N 2 1 305.466 2.930 20 0 DFADMP COCC[N@@H+](C)CCCC1CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000184704739 427521927 /nfs/dbraw/zinc/52/19/27/427521927.db2.gz NLTUAXNGUQOWAN-MRXNPFEDSA-N 2 1 320.481 2.608 20 0 DFADMP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1conc1C ZINC000294035315 427529992 /nfs/dbraw/zinc/52/99/92/427529992.db2.gz IHSOIRPFJNAVKQ-UHFFFAOYSA-N 2 1 317.433 2.993 20 0 DFADMP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1OC ZINC000279032117 427538000 /nfs/dbraw/zinc/53/80/00/427538000.db2.gz WFCWEMBJDQICIS-KGLIPLIRSA-N 2 1 315.417 2.814 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]Cc1ccnn1-c1ccccc1 ZINC000279069710 427547917 /nfs/dbraw/zinc/54/79/17/427547917.db2.gz FYYHXSPACVWCJA-HNNXBMFYSA-N 2 1 309.417 2.803 20 0 DFADMP COc1ccc(CCC[NH2+]C2CC[NH+](C3CC3)CC2)cc1OC ZINC000298472952 427621628 /nfs/dbraw/zinc/62/16/28/427621628.db2.gz OZNWTVKJPJMFLU-UHFFFAOYSA-N 2 1 318.461 2.853 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc(F)cc2)C[C@H]1C ZINC000339009700 427622710 /nfs/dbraw/zinc/62/27/10/427622710.db2.gz GKXCITQSJHMAEP-JLSDUUJJSA-N 2 1 308.441 2.534 20 0 DFADMP COc1ccccc1[C@H](C)[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000271524071 427571559 /nfs/dbraw/zinc/57/15/59/427571559.db2.gz PVULXHYMCRSZII-JCGIZDLHSA-N 2 1 318.461 2.724 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C)c1ccc([S@](C)=O)cc1 ZINC000271564868 427580810 /nfs/dbraw/zinc/58/08/10/427580810.db2.gz UWHSYZQLWIHRMI-HREREECQSA-N 2 1 308.491 2.803 20 0 DFADMP CC(C)c1nc([C@@H]2CCC[N@@H+](C[C@@H]3CC[NH2+][C@H](C)C3)C2)no1 ZINC000332342572 427583567 /nfs/dbraw/zinc/58/35/67/427583567.db2.gz REKCOUXXETWRRN-RBSFLKMASA-N 2 1 306.454 2.761 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(N2CCCC2=O)cc1 ZINC000192702313 427587874 /nfs/dbraw/zinc/58/78/74/427587874.db2.gz RCYHNKUVWSJPOP-RVKKMQEKSA-N 2 1 315.461 2.632 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000287405542 427601386 /nfs/dbraw/zinc/60/13/86/427601386.db2.gz JIBVUZSVKWTUMR-HOCLYGCPSA-N 2 1 303.406 2.581 20 0 DFADMP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000287405542 427601393 /nfs/dbraw/zinc/60/13/93/427601393.db2.gz JIBVUZSVKWTUMR-HOCLYGCPSA-N 2 1 303.406 2.581 20 0 DFADMP Cc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@@H+]3C)[NH+](C)C)cc1 ZINC000192773599 427608496 /nfs/dbraw/zinc/60/84/96/427608496.db2.gz JECIWFKRRSCDJR-IPQPSQTFSA-N 2 1 301.478 2.813 20 0 DFADMP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)N(C)C)cc1 ZINC000192773599 427608502 /nfs/dbraw/zinc/60/85/02/427608502.db2.gz JECIWFKRRSCDJR-IPQPSQTFSA-N 2 1 301.478 2.813 20 0 DFADMP Cc1ccc([C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)N(C)C)cc1 ZINC000192773599 427608506 /nfs/dbraw/zinc/60/85/06/427608506.db2.gz JECIWFKRRSCDJR-IPQPSQTFSA-N 2 1 301.478 2.813 20 0 DFADMP CC(C)[NH+]1CCN(CCC[N@H+]2CCc3ccc(F)cc3C2)CC1 ZINC000192773827 427609487 /nfs/dbraw/zinc/60/94/87/427609487.db2.gz LUNBDRCZLISRJA-UHFFFAOYSA-N 2 1 319.468 2.600 20 0 DFADMP CCC[N@@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)C)C2)cc1 ZINC000263989392 427625949 /nfs/dbraw/zinc/62/59/49/427625949.db2.gz FTUKMMZIXAZYMJ-GOSISDBHSA-N 2 1 317.477 2.695 20 0 DFADMP CCN1CCC([NH2+][C@H](C)C(=O)Nc2cc(C)ccc2C)CC1 ZINC000298486762 427626284 /nfs/dbraw/zinc/62/62/84/427626284.db2.gz HOJYAHCUPCHMLF-OAHLLOKOSA-N 2 1 303.450 2.704 20 0 DFADMP CC(C)Oc1ccc([C@H](O)C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1 ZINC000192873219 427627840 /nfs/dbraw/zinc/62/78/40/427627840.db2.gz JRYJTEBUEXXEAR-RGPMPMONSA-N 2 1 318.461 2.722 20 0 DFADMP Cc1c(C[NH2+][C@@H](C)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cnn1C ZINC000272183555 427665397 /nfs/dbraw/zinc/66/53/97/427665397.db2.gz KRAMTENQFKGFRN-YJBOKZPZSA-N 2 1 312.461 2.729 20 0 DFADMP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1CCc1cncn1C ZINC000298512927 427635010 /nfs/dbraw/zinc/63/50/10/427635010.db2.gz QZJJPJXYHKMDTP-KRWDZBQOSA-N 2 1 323.444 2.785 20 0 DFADMP Cc1ccnc(C)c1NC(=O)NC[C@H](c1ccco1)[NH+](C)C ZINC000287613038 427651690 /nfs/dbraw/zinc/65/16/90/427651690.db2.gz SZSSJNNBNWRQRC-CYBMUJFWSA-N 2 1 302.378 2.716 20 0 DFADMP Cc1nc2ccccc2n1CCC[NH2+]C1CC[NH+](C2CC2)CC1 ZINC000298599629 427658952 /nfs/dbraw/zinc/65/89/52/427658952.db2.gz ZAMWQEALNCXUBM-UHFFFAOYSA-N 2 1 312.461 2.951 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000339068606 427658991 /nfs/dbraw/zinc/65/89/91/427658991.db2.gz RTGKWZCBOOWHRA-QZTJIDSGSA-N 2 1 314.477 2.788 20 0 DFADMP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000339068606 427658996 /nfs/dbraw/zinc/65/89/96/427658996.db2.gz RTGKWZCBOOWHRA-QZTJIDSGSA-N 2 1 314.477 2.788 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[N@H+](CC)C[C@H]1C ZINC000343032857 272077250 /nfs/dbraw/zinc/07/72/50/272077250.db2.gz IBLCFBLBMMQEEV-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CC[NH+](CC)Cc1ccccc1CN[C@H]1C[N@@H+](CC)C[C@H]1C ZINC000343032857 272077253 /nfs/dbraw/zinc/07/72/53/272077253.db2.gz IBLCFBLBMMQEEV-APWZRJJASA-N 2 1 303.494 2.958 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+]([C@H](C)C(=O)N[C@H](C)CC)CC1 ZINC000343045774 272079013 /nfs/dbraw/zinc/07/90/13/272079013.db2.gz OFJVFKXFINQVBJ-HZPDHXFCSA-N 2 1 311.514 2.734 20 0 DFADMP COCCCOc1ccc(C[NH2+][C@@H]2C[C@@H](C)[N@@H+](C)C[C@@H]2C)cc1 ZINC000287690507 427671891 /nfs/dbraw/zinc/67/18/91/427671891.db2.gz WROCHZLDQYJYMA-FRQCXROJSA-N 2 1 320.477 2.920 20 0 DFADMP Cc1ccc2[nH+]ccc(N3C[C@@H]([NH+]4CCOCC4)C[C@@H]3C)c2c1 ZINC000343291678 272113483 /nfs/dbraw/zinc/11/34/83/272113483.db2.gz SMJITSJEYXQBJY-HOTGVXAUSA-N 2 1 311.429 2.843 20 0 DFADMP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000343473894 272155788 /nfs/dbraw/zinc/15/57/88/272155788.db2.gz MBUXFBMEJUZKDT-UWVAXJGDSA-N 2 1 315.505 2.958 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC[C@@H]1CCCO1 ZINC000343480251 272156656 /nfs/dbraw/zinc/15/66/56/272156656.db2.gz ZEXXJXAYDZEHKL-KRWDZBQOSA-N 2 1 300.406 2.577 20 0 DFADMP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)C[NH+]2CCC(C)CC2)c2ccccc21 ZINC000343503430 272161798 /nfs/dbraw/zinc/16/17/98/272161798.db2.gz BBMSNPOWMDOMEF-FRQCXROJSA-N 2 1 302.462 2.917 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343530645 272165367 /nfs/dbraw/zinc/16/53/67/272165367.db2.gz CMJDMQKDOQAELK-OAHLLOKOSA-N 2 1 323.506 2.953 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2nc(C3CC3)cs2)C1 ZINC000343530645 272165370 /nfs/dbraw/zinc/16/53/70/272165370.db2.gz CMJDMQKDOQAELK-OAHLLOKOSA-N 2 1 323.506 2.953 20 0 DFADMP C[N@@H+](CCC[NH+]1CCCC1)Cc1cc(-n2ccnc2)cs1 ZINC000343608232 272183145 /nfs/dbraw/zinc/18/31/45/272183145.db2.gz UPWMXVNFADNGEZ-UHFFFAOYSA-N 2 1 304.463 2.852 20 0 DFADMP C[C@@H](c1cccc(F)c1)[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000343730539 272209518 /nfs/dbraw/zinc/20/95/18/272209518.db2.gz OLNUXJWITQRVDX-HOTGVXAUSA-N 2 1 319.468 2.987 20 0 DFADMP C[C@@H](CCO)CC[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000295065476 427678980 /nfs/dbraw/zinc/67/89/80/427678980.db2.gz GVHDUBKZVHQRIV-MRXNPFEDSA-N 2 1 322.468 2.831 20 0 DFADMP CC[N@H+](C)[C@H](C(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000343891875 272232897 /nfs/dbraw/zinc/23/28/97/272232897.db2.gz YNVAXEJLJJZFGI-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP CC[N@@H+](C)[C@H](C(=O)NCC[NH+]1CCCCCC1)c1ccccc1 ZINC000343891875 272232899 /nfs/dbraw/zinc/23/28/99/272232899.db2.gz YNVAXEJLJJZFGI-SFHVURJKSA-N 2 1 317.477 2.672 20 0 DFADMP CCCC[N@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000343944301 272241640 /nfs/dbraw/zinc/24/16/40/272241640.db2.gz VYHNHTRAXMCMSV-GVDBMIGSSA-N 2 1 312.498 2.671 20 0 DFADMP CCCC[N@@H+](C)C[C@H](C)[NH2+][C@@H]1C[C@@H](OCC)C12CCOCC2 ZINC000343944301 272241641 /nfs/dbraw/zinc/24/16/41/272241641.db2.gz VYHNHTRAXMCMSV-GVDBMIGSSA-N 2 1 312.498 2.671 20 0 DFADMP Cc1nn(C)cc1C[NH2+][C@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000272239848 427680691 /nfs/dbraw/zinc/68/06/91/427680691.db2.gz WIEWOADNOFKVLG-QAPCUYQASA-N 2 1 312.461 2.729 20 0 DFADMP COCC[NH+]1CCC([NH2+]C[C@@H]2CC[C@@H](c3ccccc3)O2)CC1 ZINC000343972314 272245873 /nfs/dbraw/zinc/24/58/73/272245873.db2.gz DQRMWLWPQREESR-OALUTQOASA-N 2 1 318.461 2.607 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000344107685 272265203 /nfs/dbraw/zinc/26/52/03/272265203.db2.gz WFUQTQVIGPYKOG-XOKHGSTOSA-N 2 1 304.434 2.839 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOc3ccc(OC)cc32)[C@H](C)C1 ZINC000344107685 272265205 /nfs/dbraw/zinc/26/52/05/272265205.db2.gz WFUQTQVIGPYKOG-XOKHGSTOSA-N 2 1 304.434 2.839 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)[C@H](C)[C@@H]1OC ZINC000344156573 272275841 /nfs/dbraw/zinc/27/58/41/272275841.db2.gz AGUFULNLYPVYPZ-XHSDSOJGSA-N 2 1 312.498 2.527 20 0 DFADMP c1cn(-c2csc(C[NH2+][C@H]3CC[N@H+]4CCC[C@@H]4C3)c2)cn1 ZINC000344162604 272276786 /nfs/dbraw/zinc/27/67/86/272276786.db2.gz IMQHMHAWZBTCHR-UONOGXRCSA-N 2 1 302.447 2.650 20 0 DFADMP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000344373195 272323305 /nfs/dbraw/zinc/32/33/05/272323305.db2.gz KCGNWEKAXJMHOV-DZGCQCFKSA-N 2 1 311.495 2.678 20 0 DFADMP CCOCCC[N@H+]1CC[C@@H]([NH2+]Cc2scnc2C)[C@@H](C)C1 ZINC000344373195 272323308 /nfs/dbraw/zinc/32/33/08/272323308.db2.gz KCGNWEKAXJMHOV-DZGCQCFKSA-N 2 1 311.495 2.678 20 0 DFADMP C[C@@H](c1ccccc1)[NH+]1CCC(N[C@H]2C[N@@H+](C)C[C@H]2C)CC1 ZINC000344374052 272323700 /nfs/dbraw/zinc/32/37/00/272323700.db2.gz SXVSXBSKAOWXLJ-GJYPPUQNSA-N 2 1 301.478 2.752 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)C1 ZINC000344551526 272337125 /nfs/dbraw/zinc/33/71/25/272337125.db2.gz RWKPIEFLRDESCW-NEWSRXKRSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H]1CCC[C@H]([NH2+]C[C@@]2(O)CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000344551526 272337128 /nfs/dbraw/zinc/33/71/28/272337128.db2.gz RWKPIEFLRDESCW-NEWSRXKRSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000344606530 272346020 /nfs/dbraw/zinc/34/60/20/272346020.db2.gz DNFKNUAQGXTLCV-NUJGCVRESA-N 2 1 317.477 2.526 20 0 DFADMP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)[C@H](c1ccccc1)[NH+](C)C ZINC000344606530 272346023 /nfs/dbraw/zinc/34/60/23/272346023.db2.gz DNFKNUAQGXTLCV-NUJGCVRESA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H]1C[C@@H](NCc2cnn(-c3ccc(F)cc3)c2)CC[N@H+]1C ZINC000344677039 272354928 /nfs/dbraw/zinc/35/49/28/272354928.db2.gz KMBLUURRUDGHOU-CJNGLKHVSA-N 2 1 302.397 2.584 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CCN1C ZINC000344677039 272354929 /nfs/dbraw/zinc/35/49/29/272354929.db2.gz KMBLUURRUDGHOU-CJNGLKHVSA-N 2 1 302.397 2.584 20 0 DFADMP COc1cc(CN[C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000344677065 272355345 /nfs/dbraw/zinc/35/53/45/272355345.db2.gz KRQBTVRTKUJQRE-DGCLKSJQSA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CCN(C)[C@H](C)C2)ccc1OC(F)F ZINC000344677065 272355347 /nfs/dbraw/zinc/35/53/47/272355347.db2.gz KRQBTVRTKUJQRE-DGCLKSJQSA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000344677065 272355350 /nfs/dbraw/zinc/35/53/50/272355350.db2.gz KRQBTVRTKUJQRE-DGCLKSJQSA-N 2 1 314.376 2.869 20 0 DFADMP COc1cc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)ccc1OC(F)F ZINC000344677065 272355351 /nfs/dbraw/zinc/35/53/51/272355351.db2.gz KRQBTVRTKUJQRE-DGCLKSJQSA-N 2 1 314.376 2.869 20 0 DFADMP C[NH+](C)[C@@H]1CCC[N@@H+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000287779720 427691370 /nfs/dbraw/zinc/69/13/70/427691370.db2.gz NIQXZEUZFQEABD-IAGOWNOFSA-N 2 1 310.869 2.660 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000295103112 427694598 /nfs/dbraw/zinc/69/45/98/427694598.db2.gz VGOLUDVCXXGYIU-MGNMYUMUSA-N 2 1 315.461 2.927 20 0 DFADMP C[C@H](CCO)C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000272283093 427696465 /nfs/dbraw/zinc/69/64/65/427696465.db2.gz AMLOFAQGUZGXGR-OQIJWPOYSA-N 2 1 302.462 2.790 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000345146526 272416353 /nfs/dbraw/zinc/41/63/53/272416353.db2.gz BDSZDYLCEDOTPA-PBHICJAKSA-N 2 1 306.450 2.566 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@@H+]1Cc1ccccc1 ZINC000295128541 427705119 /nfs/dbraw/zinc/70/51/19/427705119.db2.gz XPWWBZGEMUTXHA-YSHGAJCASA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[C@@H](CO)C2)CC[N@H+]1Cc1ccccc1 ZINC000295128541 427705125 /nfs/dbraw/zinc/70/51/25/427705125.db2.gz XPWWBZGEMUTXHA-YSHGAJCASA-N 2 1 302.462 2.790 20 0 DFADMP COc1cc([C@@H](C)[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(F)cn1 ZINC000287906131 427712606 /nfs/dbraw/zinc/71/26/06/427712606.db2.gz ZWVQXSZMTFYJFH-NWDGAFQWSA-N 2 1 306.385 2.721 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)CC[N@@H+]1C ZINC000287921918 427716355 /nfs/dbraw/zinc/71/63/55/427716355.db2.gz WDEJOYGGUMWLPD-KBRIMQKVSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@H]([NH+](C)C[C@H](O)Cc2cccc(Cl)c2)CC[N@H+]1C ZINC000287921918 427716359 /nfs/dbraw/zinc/71/63/59/427716359.db2.gz WDEJOYGGUMWLPD-KBRIMQKVSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000287921918 427716362 /nfs/dbraw/zinc/71/63/62/427716362.db2.gz WDEJOYGGUMWLPD-KBRIMQKVSA-N 2 1 310.869 2.658 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+](C)C[C@H](O)Cc2cccc(Cl)c2)CC[NH+]1C ZINC000287921918 427716367 /nfs/dbraw/zinc/71/63/67/427716367.db2.gz WDEJOYGGUMWLPD-KBRIMQKVSA-N 2 1 310.869 2.658 20 0 DFADMP COCC1=CC[NH+](CCCCC[N@@H+]2CC=C(COC)CC2)CC1 ZINC000185849864 427719438 /nfs/dbraw/zinc/71/94/38/427719438.db2.gz HRPFNYCQZASVBV-UHFFFAOYSA-N 2 1 322.493 2.714 20 0 DFADMP CC(C)[C@H]([NH3+])CC[N@@H+](C)Cc1ccc(Cl)cc1-n1cncn1 ZINC000339407402 427769214 /nfs/dbraw/zinc/76/92/14/427769214.db2.gz KRLLXEDEDCXHTF-OAHLLOKOSA-N 2 1 321.856 2.726 20 0 DFADMP Cc1noc(CCC[NH+]2CCC[C@@H](C[N@H+]3CCCC[C@H]3C)C2)n1 ZINC000336872900 427769681 /nfs/dbraw/zinc/76/96/81/427769681.db2.gz RGONOHABHOFLPV-NVXWUHKLSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[NH+]2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)n1 ZINC000336872900 427769682 /nfs/dbraw/zinc/76/96/82/427769682.db2.gz RGONOHABHOFLPV-NVXWUHKLSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000336872900 427769683 /nfs/dbraw/zinc/76/96/83/427769683.db2.gz RGONOHABHOFLPV-NVXWUHKLSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@@H+]2CCC[C@@H](C[NH+]3CCCC[C@H]3C)C2)n1 ZINC000336872900 427769685 /nfs/dbraw/zinc/76/96/85/427769685.db2.gz RGONOHABHOFLPV-NVXWUHKLSA-N 2 1 320.481 2.897 20 0 DFADMP Cc1noc(CCC[N@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000336873229 427769811 /nfs/dbraw/zinc/76/98/11/427769811.db2.gz SHIKDZBYNNGQKY-KRWDZBQOSA-N 2 1 320.481 2.755 20 0 DFADMP Cc1noc(CCC[N@@H+]2CCC[C@H](C[NH+]3CCC(C)CC3)C2)n1 ZINC000336873229 427769814 /nfs/dbraw/zinc/76/98/14/427769814.db2.gz SHIKDZBYNNGQKY-KRWDZBQOSA-N 2 1 320.481 2.755 20 0 DFADMP C[C@@H](C(=O)N1CCC[N@@H+](CC2CCC2)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC000339439577 427775887 /nfs/dbraw/zinc/77/58/87/427775887.db2.gz XAKCBIWQGXEAPY-ZACQAIPSSA-N 2 1 321.509 2.582 20 0 DFADMP Cc1cc(N[C@@H]2CC[N@@H+](Cc3ccccn3)C[C@@H]2C)nc(C)[nH+]1 ZINC000301319802 427788897 /nfs/dbraw/zinc/78/88/97/427788897.db2.gz RHNPQHYARSRGPE-SUMWQHHRSA-N 2 1 311.433 2.811 20 0 DFADMP Cc1cc(N[C@@H]2CC[N@H+](Cc3ccccn3)C[C@@H]2C)nc(C)[nH+]1 ZINC000301319802 427788899 /nfs/dbraw/zinc/78/88/99/427788899.db2.gz RHNPQHYARSRGPE-SUMWQHHRSA-N 2 1 311.433 2.811 20 0 DFADMP Cc1cc(N[C@H]2CC[N@@H+](Cc3ccccn3)C[C@H]2C)nc(C)[nH+]1 ZINC000301319800 427789182 /nfs/dbraw/zinc/78/91/82/427789182.db2.gz RHNPQHYARSRGPE-DYVFJYSZSA-N 2 1 311.433 2.811 20 0 DFADMP Cc1cc(N[C@H]2CC[N@H+](Cc3ccccn3)C[C@H]2C)nc(C)[nH+]1 ZINC000301319800 427789184 /nfs/dbraw/zinc/78/91/84/427789184.db2.gz RHNPQHYARSRGPE-DYVFJYSZSA-N 2 1 311.433 2.811 20 0 DFADMP Cc1nc(C(C)C)ccc1C[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000339205075 427732258 /nfs/dbraw/zinc/73/22/58/427732258.db2.gz MLQSDBGJQXVEDS-UHFFFAOYSA-N 2 1 320.525 2.829 20 0 DFADMP CC[C@H](C(=O)NCC(C)(C)C[NH+](C)C)[N@@H+](C)Cc1ccccc1 ZINC000339242332 427738675 /nfs/dbraw/zinc/73/86/75/427738675.db2.gz YVUQEFXBHPGUSB-QGZVFWFLSA-N 2 1 319.493 2.601 20 0 DFADMP C[C@H]([NH2+][C@@H]1C[C@@H](O)C1(C)C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000336657499 427747050 /nfs/dbraw/zinc/74/70/50/427747050.db2.gz SAAGRGNFMNHMDF-DZOHQFGASA-N 2 1 302.462 2.646 20 0 DFADMP C[NH+]1CCC([NH2+]CCc2cnc(SC3CCCC3)nc2)CC1 ZINC000339570111 427793891 /nfs/dbraw/zinc/79/38/91/427793891.db2.gz OSVRIMYCLPWQFT-UHFFFAOYSA-N 2 1 320.506 2.738 20 0 DFADMP CC[NH+]1CCN(c2cc(CNc3cc(C)cc[nH+]3)ccn2)CC1 ZINC000301635425 427810488 /nfs/dbraw/zinc/81/04/88/427810488.db2.gz KQQKLZKBOBWAQH-UHFFFAOYSA-N 2 1 311.433 2.539 20 0 DFADMP C[C@H]([NH2+]C[C@](C)(O)C(F)(F)F)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000337206776 427815613 /nfs/dbraw/zinc/81/56/13/427815613.db2.gz NEKIEEVUHGPHOK-SCRDCRAPSA-N 2 1 308.388 2.542 20 0 DFADMP Cc1ccccc1NC(=O)CC[N@@H+](C)CCC[NH+]1CCCC1 ZINC000337281879 427830982 /nfs/dbraw/zinc/83/09/82/427830982.db2.gz WTGKITUEBGRRRV-UHFFFAOYSA-N 2 1 303.450 2.741 20 0 DFADMP CC(C)OC[C@@H](C)[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1 ZINC000337325028 427845322 /nfs/dbraw/zinc/84/53/22/427845322.db2.gz BQRCQGFCGWACOQ-IEBWSBKVSA-N 2 1 304.478 2.954 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000339845790 427849050 /nfs/dbraw/zinc/84/90/50/427849050.db2.gz JAHOGKPYFSSLIK-KRWDZBQOSA-N 2 1 301.478 2.916 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]CC2(COC)CCC2)[C@H](C)C1 ZINC000337377669 427873877 /nfs/dbraw/zinc/87/38/77/427873877.db2.gz BUDKEVFMLFUMPA-SJORKVTESA-N 2 1 312.498 2.530 20 0 DFADMP Cc1cc([C@@H](C)[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)oc1C ZINC000337385874 427879360 /nfs/dbraw/zinc/87/93/60/427879360.db2.gz HSNBGTNRVUFSSJ-WBVHZDCISA-N 2 1 307.482 2.819 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427259 427901687 /nfs/dbraw/zinc/90/16/87/427901687.db2.gz BRGSXZXXVFLDGX-SJORKVTESA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427259 427901690 /nfs/dbraw/zinc/90/16/90/427901690.db2.gz BRGSXZXXVFLDGX-SJORKVTESA-N 2 1 316.493 2.883 20 0 DFADMP C[NH+]1CCC[C@H]1CC[N@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337427259 427901698 /nfs/dbraw/zinc/90/16/98/427901698.db2.gz BRGSXZXXVFLDGX-SJORKVTESA-N 2 1 316.493 2.883 20 0 DFADMP OCc1ccc(C[NH2+]C2CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000303549666 427905376 /nfs/dbraw/zinc/90/53/76/427905376.db2.gz FFSNJLVGJCZBGZ-UHFFFAOYSA-N 2 1 310.441 2.933 20 0 DFADMP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+]1CCCC[C@H]1C ZINC000355823689 427909245 /nfs/dbraw/zinc/90/92/45/427909245.db2.gz YXUZNICJNUBNEP-HZPDHXFCSA-N 2 1 317.477 2.741 20 0 DFADMP COCC[C@@H]1CCC[C@H]1[NH2+]CCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000337469992 427920810 /nfs/dbraw/zinc/92/08/10/427920810.db2.gz NEEIEGLOBKNXAR-XWTMOSNGSA-N 2 1 312.498 2.671 20 0 DFADMP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]C[C@H](O)C[NH+](C)C ZINC000340480521 427859264 /nfs/dbraw/zinc/85/92/64/427859264.db2.gz QBAZZAXUYJOTOG-GJZGRUSLSA-N 2 1 317.477 2.736 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340228535 427960004 /nfs/dbraw/zinc/96/00/04/427960004.db2.gz JZEXVYXVZUZQJU-MOPGFXCFSA-N 3 1 301.478 2.753 20 0 DFADMP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)CC1 ZINC000340228535 427960009 /nfs/dbraw/zinc/96/00/09/427960009.db2.gz JZEXVYXVZUZQJU-MOPGFXCFSA-N 3 1 301.478 2.753 20 0 DFADMP COC1CC[NH+](C2(C[NH2+][C@H](C)[C@@]3(C)CCCO3)CCCC2)CC1 ZINC000340231684 427960572 /nfs/dbraw/zinc/96/05/72/427960572.db2.gz VBXPYDUZUVRZSV-SJLPKXTDSA-N 2 1 324.509 2.957 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]CCSCCCO)C[C@@H]1c1ccccc1 ZINC000340241215 427964958 /nfs/dbraw/zinc/96/49/58/427964958.db2.gz CFAMIBJAERHUGN-DLBZAZTESA-N 2 1 308.491 2.527 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]CCSCCCO)C[C@@H]1c1ccccc1 ZINC000340241215 427964968 /nfs/dbraw/zinc/96/49/68/427964968.db2.gz CFAMIBJAERHUGN-DLBZAZTESA-N 2 1 308.491 2.527 20 0 DFADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@H+](C)[C@@H](c2ccccc2)C1 ZINC000340261525 427969928 /nfs/dbraw/zinc/96/99/28/427969928.db2.gz VXQYTBVNVZLHSX-QXCFHYIPSA-N 2 1 318.461 2.606 20 0 DFADMP C[C@H](CO[C@@H]1CCOC1)[NH2+][C@H]1CC[N@@H+](C)[C@@H](c2ccccc2)C1 ZINC000340261525 427969932 /nfs/dbraw/zinc/96/99/32/427969932.db2.gz VXQYTBVNVZLHSX-QXCFHYIPSA-N 2 1 318.461 2.606 20 0 DFADMP C[C@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc2c(c1)CCCC2 ZINC000341033214 427975358 /nfs/dbraw/zinc/97/53/58/427975358.db2.gz KMSQMHLBGXMDNC-KXBFYZLASA-N 2 1 302.462 2.673 20 0 DFADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@H+](C)[C@H](c2ccccc2)C1 ZINC000340317256 427986403 /nfs/dbraw/zinc/98/64/03/427986403.db2.gz VXFPNSDVJQZGJD-MSOLQXFVSA-N 2 1 317.477 2.574 20 0 DFADMP CC(C)C(=O)NCCC[NH2+][C@@H]1CC[N@@H+](C)[C@H](c2ccccc2)C1 ZINC000340317256 427986410 /nfs/dbraw/zinc/98/64/10/427986410.db2.gz VXFPNSDVJQZGJD-MSOLQXFVSA-N 2 1 317.477 2.574 20 0 DFADMP Cc1nc2c(c(N3CC[C@H](C[N@@H+](C)CC4CC4)C3)n1)CCCC2 ZINC000359729213 427993281 /nfs/dbraw/zinc/99/32/81/427993281.db2.gz DTPUFSWOXVWLPW-MRXNPFEDSA-N 2 1 314.477 2.832 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@H](Oc4ccncc4)C3)C2)cc1 ZINC000355903958 427942342 /nfs/dbraw/zinc/94/23/42/427942342.db2.gz INNRBVSJCGXWFO-QUCCMNQESA-N 2 1 323.440 2.809 20 0 DFADMP C[N@H+](CCCCCF)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000376774214 427994893 /nfs/dbraw/zinc/99/48/93/427994893.db2.gz UXUUOKUPVWUQSR-GOSISDBHSA-N 2 1 308.441 2.695 20 0 DFADMP C[N@@H+](CCCCCF)C[C@]1(O)CC[NH+](Cc2ccccc2)C1 ZINC000376774214 427994899 /nfs/dbraw/zinc/99/48/99/427994899.db2.gz UXUUOKUPVWUQSR-GOSISDBHSA-N 2 1 308.441 2.695 20 0 DFADMP C[NH+](CCCCCF)C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000376774214 427994905 /nfs/dbraw/zinc/99/49/05/427994905.db2.gz UXUUOKUPVWUQSR-GOSISDBHSA-N 2 1 308.441 2.695 20 0 DFADMP C[NH+](CCCCCF)C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000376774214 427994911 /nfs/dbraw/zinc/99/49/11/427994911.db2.gz UXUUOKUPVWUQSR-GOSISDBHSA-N 2 1 308.441 2.695 20 0 DFADMP CC[N@H+]1CC[C@H](CN[C@H]2CC[NH+](C)[C@H](c3ccccc3)C2)C1 ZINC000340188862 427951157 /nfs/dbraw/zinc/95/11/57/427951157.db2.gz QNRKMVFADNEHJW-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340188862 427951162 /nfs/dbraw/zinc/95/11/62/427951162.db2.gz QNRKMVFADNEHJW-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP CC[NH+]1CC[C@H](CN[C@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000340188862 427951164 /nfs/dbraw/zinc/95/11/64/427951164.db2.gz QNRKMVFADNEHJW-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000340188862 427951169 /nfs/dbraw/zinc/95/11/69/427951169.db2.gz QNRKMVFADNEHJW-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP CC[N@H+]1CC[C@H](C[NH2+][C@H]2CCN(C)[C@H](c3ccccc3)C2)C1 ZINC000340188862 427951172 /nfs/dbraw/zinc/95/11/72/427951172.db2.gz QNRKMVFADNEHJW-NEWSRXKRSA-N 2 1 301.478 2.753 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000340189666 427951236 /nfs/dbraw/zinc/95/12/36/427951236.db2.gz TWZOFFBGZGYJAK-UHFFFAOYSA-N 2 1 321.509 2.654 20 0 DFADMP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CC=C(C(C)(C)C)CC2)CC1 ZINC000340189666 427951240 /nfs/dbraw/zinc/95/12/40/427951240.db2.gz TWZOFFBGZGYJAK-UHFFFAOYSA-N 2 1 321.509 2.654 20 0 DFADMP C[N@@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376965549 428032406 /nfs/dbraw/zinc/03/24/06/428032406.db2.gz AGVRVYYANDXBBC-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1ccc(-n2ccnc2)cc1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376965549 428032409 /nfs/dbraw/zinc/03/24/09/428032409.db2.gz AGVRVYYANDXBBC-KRWDZBQOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376966224 428032692 /nfs/dbraw/zinc/03/26/92/428032692.db2.gz FJGXCCFIGTUGGI-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP C[N@H+](Cc1cnn(-c2ccccc2)c1)C[C@@H]1CCc2[nH+]ccn2C1 ZINC000376966224 428032694 /nfs/dbraw/zinc/03/26/94/428032694.db2.gz FJGXCCFIGTUGGI-INIZCTEOSA-N 2 1 321.428 2.763 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000346166992 428047373 /nfs/dbraw/zinc/04/73/73/428047373.db2.gz JPVBIGAJFIBVHC-CRAIPNDOSA-N 2 1 312.417 2.577 20 0 DFADMP FC(F)(F)c1ncc(CN[C@@H]2CC[N@H+]3CCC[C@@H]3C2)s1 ZINC000377057841 428048046 /nfs/dbraw/zinc/04/80/46/428048046.db2.gz SYIHXKSWAKAGFD-NXEZZACHSA-N 2 1 305.369 2.878 20 0 DFADMP c1cnc(Oc2ccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)cc2)cn1 ZINC000369757467 428053698 /nfs/dbraw/zinc/05/36/98/428053698.db2.gz MQJWKWWEPDTPLX-SJORKVTESA-N 2 1 324.428 2.985 20 0 DFADMP c1cnc(Oc2ccc(C[NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)cc2)cn1 ZINC000369757467 428053703 /nfs/dbraw/zinc/05/37/03/428053703.db2.gz MQJWKWWEPDTPLX-SJORKVTESA-N 2 1 324.428 2.985 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ccc(C)nc2C)C1 ZINC000359878371 428058243 /nfs/dbraw/zinc/05/82/43/428058243.db2.gz PCXJCJOMIVYMOX-SFHVURJKSA-N 2 1 305.466 2.631 20 0 DFADMP C[N@@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000369559493 427998159 /nfs/dbraw/zinc/99/81/59/427998159.db2.gz AXWITTWLIIDKPC-SMDDNHRTSA-N 2 1 313.430 3.124 20 0 DFADMP C[N@H+]1CC[C@@H](CNc2[nH+]cnc3[nH]ccc32)[C@@H]1c1cccs1 ZINC000369559493 427998166 /nfs/dbraw/zinc/99/81/66/427998166.db2.gz AXWITTWLIIDKPC-SMDDNHRTSA-N 2 1 313.430 3.124 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CC2(CO)CCCC2)C[C@H]1c1ccccc1 ZINC000340361158 427998670 /nfs/dbraw/zinc/99/86/70/427998670.db2.gz NXFZXXAIOJNZBA-MSOLQXFVSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CC2(CO)CCCC2)C[C@H]1c1ccccc1 ZINC000340361158 427998674 /nfs/dbraw/zinc/99/86/74/427998674.db2.gz NXFZXXAIOJNZBA-MSOLQXFVSA-N 2 1 302.462 2.964 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@@H]1c1ccccc1 ZINC000340363546 428000344 /nfs/dbraw/zinc/00/03/44/428000344.db2.gz FYCVQDXFZFASIM-QTMHVTGLSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H]3OCCC[C@@H]23)C[C@@H]1c1ccccc1 ZINC000340363546 428000351 /nfs/dbraw/zinc/00/03/51/428000351.db2.gz FYCVQDXFZFASIM-QTMHVTGLSA-N 2 1 300.446 2.979 20 0 DFADMP C[N@@H+]1CC[C@@H]([NH2+]CCOC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340364930 428001619 /nfs/dbraw/zinc/00/16/19/428001619.db2.gz GDRJHVYORVLJBL-ZIAGYGMSSA-N 2 1 302.340 2.948 20 0 DFADMP C[N@H+]1CC[C@@H]([NH2+]CCOC(F)(F)F)C[C@@H]1c1ccccc1 ZINC000340364930 428001628 /nfs/dbraw/zinc/00/16/28/428001628.db2.gz GDRJHVYORVLJBL-ZIAGYGMSSA-N 2 1 302.340 2.948 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](Cc3cccc4nccn43)C2)c1 ZINC000376832613 428008423 /nfs/dbraw/zinc/00/84/23/428008423.db2.gz OBUQFPZEPJIWNO-INIZCTEOSA-N 2 1 321.428 2.972 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](Cc3cccc4nccn43)C2)c1 ZINC000376832613 428008426 /nfs/dbraw/zinc/00/84/26/428008426.db2.gz OBUQFPZEPJIWNO-INIZCTEOSA-N 2 1 321.428 2.972 20 0 DFADMP COc1cc2[nH+]ccc(N3C[C@@H](C)[N@H+](C)[C@@H](C)C3)c2cc1OC ZINC000413291537 428011861 /nfs/dbraw/zinc/01/18/61/428011861.db2.gz DUGSBVJDCWFBNB-BETUJISGSA-N 2 1 315.417 2.781 20 0 DFADMP CC[N@H+](Cc1cnn(C)c1)Cc1cc(-n2ccnc2)cs1 ZINC000346210465 428070560 /nfs/dbraw/zinc/07/05/60/428070560.db2.gz OVCSHFSNNWGFDE-UHFFFAOYSA-N 2 1 301.419 2.689 20 0 DFADMP C[N@H+](Cc1cscc1C(F)(F)F)C1CCN(CCO)CC1 ZINC000356217125 428072527 /nfs/dbraw/zinc/07/25/27/428072527.db2.gz KZMDFDRSSJYGGO-UHFFFAOYSA-N 2 1 322.396 2.655 20 0 DFADMP C[N@@H+](Cc1cscc1C(F)(F)F)C1CCN(CCO)CC1 ZINC000356217125 428072532 /nfs/dbraw/zinc/07/25/32/428072532.db2.gz KZMDFDRSSJYGGO-UHFFFAOYSA-N 2 1 322.396 2.655 20 0 DFADMP CCCN(CC[NH+]1CCCCCC1)C(=O)C[N@@H+](CC)C1CC1 ZINC000346230886 428084549 /nfs/dbraw/zinc/08/45/49/428084549.db2.gz CFNLXEFDHDOHAN-UHFFFAOYSA-N 2 1 309.498 2.585 20 0 DFADMP CCCCNC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@H]2C)C1 ZINC000341525390 428090455 /nfs/dbraw/zinc/09/04/55/428090455.db2.gz YATPUHLHCDPHJX-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@H]2C)C1 ZINC000341525390 428090461 /nfs/dbraw/zinc/09/04/61/428090461.db2.gz YATPUHLHCDPHJX-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP CCCCNC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000341525390 428090464 /nfs/dbraw/zinc/09/04/64/428090464.db2.gz YATPUHLHCDPHJX-MSOLQXFVSA-N 2 1 323.525 2.879 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+]CC1([NH+]2CCCCC2)CCOCC1 ZINC000370005039 428109031 /nfs/dbraw/zinc/10/90/31/428109031.db2.gz FGWLVUYAMKFJAK-ROUUACIJSA-N 2 1 324.509 2.816 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000351859264 428112769 /nfs/dbraw/zinc/11/27/69/428112769.db2.gz GEDKBYKBFLLWJK-CRAIPNDOSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@H]([NH3+])[C@H]1CC[N@@H+](Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000351859709 428113281 /nfs/dbraw/zinc/11/32/81/428113281.db2.gz GWVKFFCAFKDHCK-YJBOKZPZSA-N 2 1 311.429 2.830 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000351860495 428114010 /nfs/dbraw/zinc/11/40/10/428114010.db2.gz ISVCTVPWCGDRJJ-YPMHNXCESA-N 2 1 320.824 2.602 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859724 428114386 /nfs/dbraw/zinc/11/43/86/428114386.db2.gz GXVDVVUIUMQFGE-UKTARXLSSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@@H]([NH3+])[C@@H]1CC[N@H+]([C@@H](C)C(=O)N[C@@H](C)c2ccc(Cl)cc2)C1 ZINC000351859724 428114389 /nfs/dbraw/zinc/11/43/89/428114389.db2.gz GXVDVVUIUMQFGE-UKTARXLSSA-N 2 1 323.868 2.575 20 0 DFADMP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)CCOC1 ZINC000341588214 428116955 /nfs/dbraw/zinc/11/69/55/428116955.db2.gz FYBHNUZPSOFABX-LJQANCHMSA-N 2 1 320.452 2.849 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000351864649 428117051 /nfs/dbraw/zinc/11/70/51/428117051.db2.gz YTBADYOSXAQKJQ-DOTOQJQBSA-N 2 1 311.429 2.830 20 0 DFADMP C[N@@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CCCC1 ZINC000370075408 428128525 /nfs/dbraw/zinc/12/85/25/428128525.db2.gz AIAJHIHPLRMUQE-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCC1 ZINC000370075408 428128532 /nfs/dbraw/zinc/12/85/32/428128532.db2.gz AIAJHIHPLRMUQE-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc2c(c1)OCCCO2 ZINC000360020246 428119957 /nfs/dbraw/zinc/11/99/57/428119957.db2.gz UINDMYDJDDDKQL-DZGCQCFKSA-N 2 1 313.401 2.710 20 0 DFADMP C[NH+](CCNC(=O)[C@H]1CC[N@H+](C2CCCCC2)C1)C1CCCC1 ZINC000370075408 428128536 /nfs/dbraw/zinc/12/85/36/428128536.db2.gz AIAJHIHPLRMUQE-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP COc1cc2c(c(C[N@@H+]3CCCC[C@@H]3CC[NH3+])c1)O[C@@H](C)C2 ZINC000352533956 428139922 /nfs/dbraw/zinc/13/99/22/428139922.db2.gz BPEZGWUZPXPFQI-XJKSGUPXSA-N 2 1 304.434 2.722 20 0 DFADMP COc1cc2c(c(C[N@H+]3CCCC[C@@H]3CC[NH3+])c1)O[C@@H](C)C2 ZINC000352533956 428139927 /nfs/dbraw/zinc/13/99/27/428139927.db2.gz BPEZGWUZPXPFQI-XJKSGUPXSA-N 2 1 304.434 2.722 20 0 DFADMP Cn1cc(C[N@@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000352539927 428142944 /nfs/dbraw/zinc/14/29/44/428142944.db2.gz FBHWIUSCBDCOGE-LJQANCHMSA-N 2 1 310.445 2.663 20 0 DFADMP Cn1cc(C[N@H+]2CCC[C@]3(CC[NH2+]C3)C2)c(-c2ccccc2)n1 ZINC000352539927 428142948 /nfs/dbraw/zinc/14/29/48/428142948.db2.gz FBHWIUSCBDCOGE-LJQANCHMSA-N 2 1 310.445 2.663 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC000346387867 428151423 /nfs/dbraw/zinc/15/14/23/428151423.db2.gz OSQRMTOIHXPNMR-QAPCUYQASA-N 2 1 317.477 2.693 20 0 DFADMP CCC[NH+]1CCC(NC(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000360093364 428159057 /nfs/dbraw/zinc/15/90/57/428159057.db2.gz LHGHMOXJPZUARF-INIZCTEOSA-N 2 1 321.509 2.632 20 0 DFADMP CC[N@@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000346410090 428160747 /nfs/dbraw/zinc/16/07/47/428160747.db2.gz IYBNJZPFWQFLPG-JKSUJKDBSA-N 2 1 320.481 2.585 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)CCn2cc[nH+]c2C(C)C)[C@@H](C)C1 ZINC000346410090 428160750 /nfs/dbraw/zinc/16/07/50/428160750.db2.gz IYBNJZPFWQFLPG-JKSUJKDBSA-N 2 1 320.481 2.585 20 0 DFADMP C[C@@H]1CCCC[C@H]1C[N@H+]1CCC[C@@H](CN2CC[NH+](C)CC2)C1 ZINC000377623456 428174318 /nfs/dbraw/zinc/17/43/18/428174318.db2.gz JLNXYIFPNSZPOR-QYZOEREBSA-N 2 1 307.526 2.772 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356434521 428176825 /nfs/dbraw/zinc/17/68/25/428176825.db2.gz NZRAYBSIMOOPSB-IRXDYDNUSA-N 2 1 309.498 2.632 20 0 DFADMP CSC1(C[NH2+]Cc2ccccc2C[N@H+]2CC[C@H](O)C2)CCC1 ZINC000356433420 428177088 /nfs/dbraw/zinc/17/70/88/428177088.db2.gz RFXGIDJLEYSETL-KRWDZBQOSA-N 2 1 320.502 2.629 20 0 DFADMP CCCn1nccc1C1CC[NH+](CC[C@@H]2CCC[N@H+]2C)CC1 ZINC000370295868 428178613 /nfs/dbraw/zinc/17/86/13/428178613.db2.gz XSFQZBAFJRXJDM-KRWDZBQOSA-N 2 1 304.482 2.957 20 0 DFADMP C[C@@H](CCC1CC1)[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000346522511 428205253 /nfs/dbraw/zinc/20/52/53/428205253.db2.gz KHUJWGJMCLPGIJ-QFBILLFUSA-N 2 1 302.462 2.792 20 0 DFADMP C[C@@H](CCC1CC1)[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000346522511 428205258 /nfs/dbraw/zinc/20/52/58/428205258.db2.gz KHUJWGJMCLPGIJ-QFBILLFUSA-N 2 1 302.462 2.792 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352692842 428207139 /nfs/dbraw/zinc/20/71/39/428207139.db2.gz KNRBCESCOUAEHP-AWEZNQCLSA-N 2 1 314.424 2.606 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2cnn(CC(F)F)c2)C1 ZINC000352692842 428207144 /nfs/dbraw/zinc/20/71/44/428207144.db2.gz KNRBCESCOUAEHP-AWEZNQCLSA-N 2 1 314.424 2.606 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C ZINC000414132711 428213872 /nfs/dbraw/zinc/21/38/72/428213872.db2.gz ZREVOWJWLDOOMM-OQIJWPOYSA-N 2 1 302.462 2.648 20 0 DFADMP CC[C@H]([NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1)[C@@H]1C[C@H]1C ZINC000414132711 428213875 /nfs/dbraw/zinc/21/38/75/428213875.db2.gz ZREVOWJWLDOOMM-OQIJWPOYSA-N 2 1 302.462 2.648 20 0 DFADMP C[N@@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414128892 428214276 /nfs/dbraw/zinc/21/42/76/428214276.db2.gz HUIZWDAQYWQYJT-PVAVHDDUSA-N 2 1 308.853 2.632 20 0 DFADMP C[N@H+]1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](c3cccc(Cl)c3)C2)C1 ZINC000414128892 428214280 /nfs/dbraw/zinc/21/42/80/428214280.db2.gz HUIZWDAQYWQYJT-PVAVHDDUSA-N 2 1 308.853 2.632 20 0 DFADMP Cc1ccc(O)c(C[NH2+]C[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)n1 ZINC000377758243 428219190 /nfs/dbraw/zinc/21/91/90/428219190.db2.gz BYOHNZNJLSIGQU-APWZRJJASA-N 2 1 311.429 2.878 20 0 DFADMP CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)Cc1ccccc1 ZINC000356528272 428220289 /nfs/dbraw/zinc/22/02/89/428220289.db2.gz BIZQMTNAVUXEAX-HOTGVXAUSA-N 2 1 319.493 2.790 20 0 DFADMP CC1CC[NH+](C[C@H](O)C[NH2+]Cc2ccc3occc3c2)CC1 ZINC000352754867 428231709 /nfs/dbraw/zinc/23/17/09/428231709.db2.gz KNYDZNWRHXVTHL-QGZVFWFLSA-N 2 1 302.418 2.615 20 0 DFADMP CC(C)[C@H](C)NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000356577329 428239411 /nfs/dbraw/zinc/23/94/11/428239411.db2.gz MXDFNRDDAYYHPC-BZSNNMDCSA-N 2 1 323.525 2.734 20 0 DFADMP COCC[NH+]1CCC([NH2+]Cc2ccc3[nH]c(C)c(C)c3c2)CC1 ZINC000360163601 428186639 /nfs/dbraw/zinc/18/66/39/428186639.db2.gz QVYBIJRQCZSTCG-UHFFFAOYSA-N 2 1 315.461 2.985 20 0 DFADMP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000377667715 428187043 /nfs/dbraw/zinc/18/70/43/428187043.db2.gz DOTHTAAMCWFKMA-SQNIBIBYSA-N 2 1 305.441 2.645 20 0 DFADMP CN1CC[C@H](NCC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000377667715 428187047 /nfs/dbraw/zinc/18/70/47/428187047.db2.gz DOTHTAAMCWFKMA-SQNIBIBYSA-N 2 1 305.441 2.645 20 0 DFADMP CN1CC[C@H](NCC[C@H]2CCC[N@H+]2C)[C@@H]1c1ccc(F)cc1 ZINC000377667715 428187050 /nfs/dbraw/zinc/18/70/50/428187050.db2.gz DOTHTAAMCWFKMA-SQNIBIBYSA-N 2 1 305.441 2.645 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000377691619 428196745 /nfs/dbraw/zinc/19/67/45/428196745.db2.gz IFCRLFCGRDQEQA-UONOGXRCSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1 ZINC000377691619 428196753 /nfs/dbraw/zinc/19/67/53/428196753.db2.gz IFCRLFCGRDQEQA-UONOGXRCSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000377694384 428198539 /nfs/dbraw/zinc/19/85/39/428198539.db2.gz ISCZQJOWSPJUDJ-STQMWFEESA-N 2 1 301.390 2.511 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@@H+]2CCCC[C@H]2C)cn1 ZINC000414072175 428198832 /nfs/dbraw/zinc/19/88/32/428198832.db2.gz USCXYUFYSYIETL-ARFHVFGLSA-N 2 1 305.466 2.874 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C[C@@H](C)[N@H+]2CCCC[C@H]2C)cn1 ZINC000414072175 428198835 /nfs/dbraw/zinc/19/88/35/428198835.db2.gz USCXYUFYSYIETL-ARFHVFGLSA-N 2 1 305.466 2.874 20 0 DFADMP Cc1c([C@H](C)[NH2+][C@@H]2CCc3[nH+]ccn3C2)cnn1C(C)(C)C ZINC000370386577 428199005 /nfs/dbraw/zinc/19/90/05/428199005.db2.gz FLYQTJFALIBAFU-GXTWGEPZSA-N 2 1 301.438 2.809 20 0 DFADMP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000352684548 428202484 /nfs/dbraw/zinc/20/24/84/428202484.db2.gz ORSDYPMQPBEESB-AHRSYUTCSA-N 2 1 313.489 2.896 20 0 DFADMP C[C@@H]1C[N@H+](C2CC2)C[C@H]1N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000352684548 428202487 /nfs/dbraw/zinc/20/24/87/428202487.db2.gz ORSDYPMQPBEESB-AHRSYUTCSA-N 2 1 313.489 2.896 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)cn1 ZINC000414088593 428204229 /nfs/dbraw/zinc/20/42/29/428204229.db2.gz CAYFMBWDHYGJMW-YJBOKZPZSA-N 2 1 317.477 2.875 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)cn1 ZINC000414088593 428204232 /nfs/dbraw/zinc/20/42/32/428204232.db2.gz CAYFMBWDHYGJMW-YJBOKZPZSA-N 2 1 317.477 2.875 20 0 DFADMP Fc1ccc(N2CC[C@H]([NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)C2)cc1 ZINC000414356003 428271713 /nfs/dbraw/zinc/27/17/13/428271713.db2.gz ZOVXTDGQNKJEJJ-BQFCYCMXSA-N 2 1 303.425 2.621 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](Cc2cnc(CC)nc2)CC1 ZINC000414368179 428273028 /nfs/dbraw/zinc/27/30/28/428273028.db2.gz GQYMLKWQWHHNNT-UHFFFAOYSA-N 2 1 304.482 2.983 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@@H](C)C2)cc1C ZINC000370695409 428275506 /nfs/dbraw/zinc/27/55/06/428275506.db2.gz AFFIDKZXOIEKPC-AZUAARDMSA-N 2 1 315.505 2.761 20 0 DFADMP C[C@H]([NH3+])[C@@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccc(Cl)cc2)C1 ZINC000346695076 428276291 /nfs/dbraw/zinc/27/62/91/428276291.db2.gz YDBLGJJMWMTTHG-WCQYABFASA-N 2 1 304.825 2.899 20 0 DFADMP C[NH2+]C[C@H]1CCCN1CC(C)(C)C[N@@H+](C)Cc1ccccc1 ZINC000346693204 428277536 /nfs/dbraw/zinc/27/75/36/428277536.db2.gz LLFZIQUAOQBDJL-GOSISDBHSA-N 2 1 303.494 2.828 20 0 DFADMP [NH3+][C@@H]1CCC[C@H]2C[N@@H+](CCC(=O)Nc3ccc(Cl)cc3)C[C@H]21 ZINC000342097461 428298569 /nfs/dbraw/zinc/29/85/69/428298569.db2.gz HSKCDRZWHZLESL-APHBMKBZSA-N 2 1 321.852 2.728 20 0 DFADMP C[NH+]1CCC2(CCC[N@@H+](Cc3nnc(-c4ccco4)o3)C2)CC1 ZINC000370709466 428280779 /nfs/dbraw/zinc/28/07/79/428280779.db2.gz RJPHKLPBFCTFML-UHFFFAOYSA-N 2 1 316.405 2.637 20 0 DFADMP CSc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)s1 ZINC000352856447 428281553 /nfs/dbraw/zinc/28/15/53/428281553.db2.gz WUTPNJTWSFDDBZ-ZDUSSCGKSA-N 2 1 314.520 2.797 20 0 DFADMP C[C@H]1CC(CC[NH2+]Cc2ncc(C[NH+](C)C)s2)C[C@H](C)O1 ZINC000352868535 428286212 /nfs/dbraw/zinc/28/62/12/428286212.db2.gz MOHHAIDUTQZILX-STQMWFEESA-N 2 1 311.495 2.888 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)C[NH+](C)C(C)C)[N@@H+](C)Cc1ccccc1 ZINC000356740893 428289711 /nfs/dbraw/zinc/28/97/11/428289711.db2.gz LEBAEJVFEXCJNU-FUHWJXTLSA-N 2 1 319.493 2.742 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000356740893 428289717 /nfs/dbraw/zinc/28/97/17/428289717.db2.gz LEBAEJVFEXCJNU-FUHWJXTLSA-N 2 1 319.493 2.742 20 0 DFADMP CC[C@H](C(=O)N[C@@H](C)C[N@@H+](C)C(C)C)[NH+](C)Cc1ccccc1 ZINC000356740893 428289721 /nfs/dbraw/zinc/28/97/21/428289721.db2.gz LEBAEJVFEXCJNU-FUHWJXTLSA-N 2 1 319.493 2.742 20 0 DFADMP COCCOc1cccc(C[N@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)c1 ZINC000377840136 428242915 /nfs/dbraw/zinc/24/29/15/428242915.db2.gz POYAIGGWTLJFBP-PKOBYXMFSA-N 2 1 318.461 2.628 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)[C@H](C)C1 ZINC000414261501 428245153 /nfs/dbraw/zinc/24/51/53/428245153.db2.gz GZBQNWKTTPWNTJ-FPSMNIFISA-N 2 1 312.498 2.527 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858746 428247219 /nfs/dbraw/zinc/24/72/19/428247219.db2.gz BIWVWMWOKJXBRR-UONOGXRCSA-N 2 1 315.417 2.853 20 0 DFADMP COc1ccc(O)cc1[C@H](C)[N@@H+](C)C[C@@H]1CCn2cc[nH+]c2C1 ZINC000377858746 428247222 /nfs/dbraw/zinc/24/72/22/428247222.db2.gz BIWVWMWOKJXBRR-UONOGXRCSA-N 2 1 315.417 2.853 20 0 DFADMP COc1cccc(C[N@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1F ZINC000377861894 428247501 /nfs/dbraw/zinc/24/75/01/428247501.db2.gz UHOYCGUEFLLNCT-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP COc1cccc(C[N@@H+](C)C[C@H]2CCn3cc[nH+]c3C2)c1F ZINC000377861894 428247506 /nfs/dbraw/zinc/24/75/06/428247506.db2.gz UHOYCGUEFLLNCT-ZDUSSCGKSA-N 2 1 303.381 2.725 20 0 DFADMP C[C@@H]([NH3+])[C@H]1CC[N@@H+](Cc2cccc(OCc3ccccn3)c2)C1 ZINC000346640207 428250707 /nfs/dbraw/zinc/25/07/07/428250707.db2.gz KWMVVWODHIRGSK-WBVHZDCISA-N 2 1 311.429 2.830 20 0 DFADMP COc1ncccc1C[N@H+]1CC[C@@H](CNc2cc(C)cc[nH+]2)C1 ZINC000370610580 428251340 /nfs/dbraw/zinc/25/13/40/428251340.db2.gz NXDFMMBQBFKFIZ-HNNXBMFYSA-N 2 1 312.417 2.728 20 0 DFADMP CC(C)[C@](C)(O)C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000360334159 428256494 /nfs/dbraw/zinc/25/64/94/428256494.db2.gz CAVFLNLSIUNGJG-BHIYHBOVSA-N 2 1 304.478 2.894 20 0 DFADMP CCC[C@H]1CN(c2cc(C)nc(C3CC3)n2)CC[N@H+]1CCOC ZINC000346656289 428258172 /nfs/dbraw/zinc/25/81/72/428258172.db2.gz NNWXRPCLOFKXDU-INIZCTEOSA-N 2 1 318.465 2.600 20 0 DFADMP COc1ccc(CCC[NH2+]Cc2ncc(C[NH+](C)C)s2)cc1 ZINC000352813075 428260195 /nfs/dbraw/zinc/26/01/95/428260195.db2.gz JFHNNWDRDMBUGA-UHFFFAOYSA-N 2 1 319.474 2.936 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633945 428260547 /nfs/dbraw/zinc/26/05/47/428260547.db2.gz JKKPHZHHPVLDCC-XLIONFOSSA-N 3 1 315.505 2.828 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](C)CC1 ZINC000370633945 428260553 /nfs/dbraw/zinc/26/05/53/428260553.db2.gz JKKPHZHHPVLDCC-XLIONFOSSA-N 2 1 315.505 2.828 20 0 DFADMP c1ccc(C[NH+]2CC[C@@]3(CC[N@H+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000352816273 428261313 /nfs/dbraw/zinc/26/13/13/428261313.db2.gz NYGJLEMBUHWGND-RBUKOAKNSA-N 2 1 300.446 2.621 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000352816273 428261318 /nfs/dbraw/zinc/26/13/18/428261318.db2.gz NYGJLEMBUHWGND-RBUKOAKNSA-N 2 1 300.446 2.621 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@]3(CC[NH+](C[C@@H]4CCOC4)C3)C2)cc1 ZINC000352816273 428261321 /nfs/dbraw/zinc/26/13/21/428261321.db2.gz NYGJLEMBUHWGND-RBUKOAKNSA-N 2 1 300.446 2.621 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C2CC[NH+](CC)CC2)[C@@H]1Oc1ccccc1 ZINC000346658370 428262135 /nfs/dbraw/zinc/26/21/35/428262135.db2.gz XYUCDLJCAXCKHP-OTWHNJEPSA-N 2 1 318.461 2.685 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccc(F)c(F)c1F ZINC000346801513 428322575 /nfs/dbraw/zinc/32/25/75/428322575.db2.gz SQGYJVUGLKFWKY-SUNKGSAMSA-N 2 1 300.368 2.965 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]C2CCN(c3cccc(C)n3)CC2)[C@@H](C)C1 ZINC000378168765 428325255 /nfs/dbraw/zinc/32/52/55/428325255.db2.gz MGUJWKYBKFBHJX-MAUKXSAKSA-N 2 1 316.493 2.679 20 0 DFADMP C[C@](O)(C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12)C1CC1 ZINC000356838366 428331998 /nfs/dbraw/zinc/33/19/98/428331998.db2.gz ILTDXSOJMQTPKJ-MDNKFWRPSA-N 2 1 314.473 2.648 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)N1CCC[C@@H](n2cc[nH+]c2C(C)C)C1 ZINC000378209185 428335530 /nfs/dbraw/zinc/33/55/30/428335530.db2.gz JLOZFPATAAPEBO-CABCVRRESA-N 2 1 306.454 2.543 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000342190806 428342348 /nfs/dbraw/zinc/34/23/48/428342348.db2.gz IPRFCCIMWAEKOV-UHFFFAOYSA-N 2 1 313.401 2.979 20 0 DFADMP C[C@@H]1CCc2nc(C[N@@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)sc2C1 ZINC000346842161 428342754 /nfs/dbraw/zinc/34/27/54/428342754.db2.gz WUPHNSWIKSUSEJ-XJFOESAGSA-N 2 1 305.491 2.827 20 0 DFADMP C[C@@H]1CCc2nc(C[N@H+]3C[C@@H]4CCC[C@@H]([NH3+])[C@@H]4C3)sc2C1 ZINC000346842161 428342757 /nfs/dbraw/zinc/34/27/57/428342757.db2.gz WUPHNSWIKSUSEJ-XJFOESAGSA-N 2 1 305.491 2.827 20 0 DFADMP Cc1nn(-c2ccccc2)c(C)c1C[N@H+]1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000346848973 428346046 /nfs/dbraw/zinc/34/60/46/428346046.db2.gz FXHIUAXUEAFCRF-ZYSHUDEJSA-N 2 1 310.445 2.658 20 0 DFADMP O=C(CC[N@H+]1CC[C@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000360550270 428346071 /nfs/dbraw/zinc/34/60/71/428346071.db2.gz IIBHJSNCDFMMEG-FQEVSTJZSA-N 2 1 323.440 2.854 20 0 DFADMP CC(C)c1cccc(NC(=[NH2+])NC[C@@H]2C[N@H+]3CCC[C@@H]3CO2)c1 ZINC000360572434 428354650 /nfs/dbraw/zinc/35/46/50/428354650.db2.gz KHHSRUXFIYYZIC-IAGOWNOFSA-N 2 1 316.449 2.609 20 0 DFADMP Cc1ccc(CN2CC[C@]3(CC[N@@H+](Cc4ccccc4)C3)C2)nn1 ZINC000414443175 428299203 /nfs/dbraw/zinc/29/92/03/428299203.db2.gz RPNMOVUWCJCRMA-FQEVSTJZSA-N 2 1 322.456 2.883 20 0 DFADMP CCc1ccc([C@@H]2CNCC[N@H+]2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414728560 428388042 /nfs/dbraw/zinc/38/80/42/428388042.db2.gz CHIXDLAPSPBCRQ-AYBZRNKSSA-N 2 1 301.478 2.583 20 0 DFADMP CCc1ccc([C@@H]2C[NH2+]CCN2C[C@H]2CC[NH2+][C@H](C)C2)cc1 ZINC000414728560 428388048 /nfs/dbraw/zinc/38/80/48/428388048.db2.gz CHIXDLAPSPBCRQ-AYBZRNKSSA-N 2 1 301.478 2.583 20 0 DFADMP Cc1ncsc1C[N@H+](C)C[C@H]1CCN(C[C@@H]([NH3+])CC(C)C)C1 ZINC000414736874 428389907 /nfs/dbraw/zinc/38/99/07/428389907.db2.gz GUIYRSKPEYKKQN-CVEARBPZSA-N 2 1 324.538 2.579 20 0 DFADMP C[C@@H]1C[C@@H](C[N@H+]2CCC[C@@H](C(=O)Nc3ccccc3)C2)CC[NH2+]1 ZINC000414743319 428390513 /nfs/dbraw/zinc/39/05/13/428390513.db2.gz VBMUOQKTBVFAFF-IXDOHACOSA-N 2 1 315.461 2.725 20 0 DFADMP CC[C@H]([NH2+]C1CC[NH+](C2CCCC2)CC1)[C@@H](O)C(F)(F)F ZINC000371440502 428390772 /nfs/dbraw/zinc/39/07/72/428390772.db2.gz ROSXIQPVKSZWPT-UONOGXRCSA-N 2 1 308.388 2.685 20 0 DFADMP CC(C)[N@@H+](C[C@@H](O)COc1ccccc1)C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414741838 428391384 /nfs/dbraw/zinc/39/13/84/428391384.db2.gz LDSLHHVMYQUQKS-KZNAEPCWSA-N 2 1 320.477 2.525 20 0 DFADMP CN(C)c1cc[nH+]cc1C[NH2+]C[C@H](CO)c1ccccc1Cl ZINC000342303409 428393606 /nfs/dbraw/zinc/39/36/06/428393606.db2.gz OJRSTTUTLMUFAF-CQSZACIVSA-N 2 1 319.836 2.667 20 0 DFADMP CCOC(=O)C[N@@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414754287 428394334 /nfs/dbraw/zinc/39/43/34/428394334.db2.gz XMOMIRQVPKLTLS-HOCLYGCPSA-N 2 1 322.424 2.579 20 0 DFADMP CCOC(=O)C[N@H+](Cc1ccc(F)cc1)C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414754287 428394340 /nfs/dbraw/zinc/39/43/40/428394340.db2.gz XMOMIRQVPKLTLS-HOCLYGCPSA-N 2 1 322.424 2.579 20 0 DFADMP COc1ccc(CC[C@H]2CCCC[N@H+]2CCC[NH3+])cc1OC ZINC000414755490 428395893 /nfs/dbraw/zinc/39/58/93/428395893.db2.gz ZGAGEMJOSBJULB-MRXNPFEDSA-N 2 1 306.450 2.840 20 0 DFADMP O[C@@H]1c2ccccc2C[C@H]1[N@H+]1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000378443240 428397798 /nfs/dbraw/zinc/39/77/98/428397798.db2.gz RRNCCQVNURNZIO-PWIZWCRZSA-N 2 1 314.473 2.843 20 0 DFADMP O=c1[nH]c2ccccc2cc1C[N@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000414775028 428400740 /nfs/dbraw/zinc/40/07/40/428400740.db2.gz GAYYVFBZROMNFP-HZPDHXFCSA-N 2 1 311.429 2.762 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)c1OC ZINC000414775106 428401109 /nfs/dbraw/zinc/40/11/09/428401109.db2.gz GEZSSASMTFKSMY-GJZGRUSLSA-N 2 1 304.434 2.525 20 0 DFADMP c1cn(-c2ccc(C[N@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)cc2)cn1 ZINC000414775732 428404462 /nfs/dbraw/zinc/40/44/62/428404462.db2.gz GNJODKHCVHQSNP-ZWKOTPCHSA-N 2 1 310.445 2.694 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000414785297 428406502 /nfs/dbraw/zinc/40/65/02/428406502.db2.gz SIUJGYOQEUFVFE-MSOLQXFVSA-N 2 1 310.445 2.694 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@H]([C@@H]3CC[NH2+]C3)C2)cc(OC)c1 ZINC000414781691 428407125 /nfs/dbraw/zinc/40/71/25/428407125.db2.gz NLSRLTDPZAOQRB-CVEARBPZSA-N 2 1 304.434 2.525 20 0 DFADMP c1cn(-c2ccccc2)c(C[N@H+]2CCC[C@H]([C@H]3CC[NH2+]C3)C2)n1 ZINC000414784083 428407380 /nfs/dbraw/zinc/40/73/80/428407380.db2.gz QSYRBKRXXXRLRA-IRXDYDNUSA-N 2 1 310.445 2.694 20 0 DFADMP c1cnn(-c2ccc(C[N@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)cc2)c1 ZINC000414785299 428407731 /nfs/dbraw/zinc/40/77/31/428407731.db2.gz SIUJGYOQEUFVFE-QZTJIDSGSA-N 2 1 310.445 2.694 20 0 DFADMP CN(Cc1nc2cccnc2s1)C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000353157357 428407796 /nfs/dbraw/zinc/40/77/96/428407796.db2.gz VTQNNBZOIRPQMX-FUNVUKJBSA-N 2 1 302.447 2.748 20 0 DFADMP Fc1cc(-c2ccncc2)ccc1C[N@@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357146149 428408304 /nfs/dbraw/zinc/40/83/04/428408304.db2.gz MKTLUXYCRSSWHT-SJLPKXTDSA-N 2 1 311.404 2.929 20 0 DFADMP Fc1cc(-c2ccncc2)ccc1C[N@H+]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000357146149 428408308 /nfs/dbraw/zinc/40/83/08/428408308.db2.gz MKTLUXYCRSSWHT-SJLPKXTDSA-N 2 1 311.404 2.929 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@@H+]1CC[C@@H](C[NH3+])C1 ZINC000347010259 428408876 /nfs/dbraw/zinc/40/88/76/428408876.db2.gz GFZFJYMANSWLPE-ZDUSSCGKSA-N 2 1 304.825 2.615 20 0 DFADMP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1CC[C@@H](C[NH3+])C1 ZINC000347010259 428408880 /nfs/dbraw/zinc/40/88/80/428408880.db2.gz GFZFJYMANSWLPE-ZDUSSCGKSA-N 2 1 304.825 2.615 20 0 DFADMP COc1cccc(Cl)c1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414790129 428412544 /nfs/dbraw/zinc/41/25/44/428412544.db2.gz ZNKSXOSMQCDESR-CYBMUJFWSA-N 2 1 324.852 2.536 20 0 DFADMP COc1cccc(Cl)c1C[N@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000414790129 428412549 /nfs/dbraw/zinc/41/25/49/428412549.db2.gz ZNKSXOSMQCDESR-CYBMUJFWSA-N 2 1 324.852 2.536 20 0 DFADMP CCC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](C2CCN(C)CC2)C1)C(C)C ZINC000378312239 428359905 /nfs/dbraw/zinc/35/99/05/428359905.db2.gz ICUNKQRXYLZPKF-ZWKOTPCHSA-N 2 1 323.525 2.686 20 0 DFADMP CCC[C@@H](C(=O)N(C)[C@H]1CCN(C2CC[NH+](C)CC2)C1)C(C)C ZINC000378312239 428359911 /nfs/dbraw/zinc/35/99/11/428359911.db2.gz ICUNKQRXYLZPKF-ZWKOTPCHSA-N 2 1 323.525 2.686 20 0 DFADMP Cc1cc(Br)c(C[N@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000414653681 428364770 /nfs/dbraw/zinc/36/47/70/428364770.db2.gz BGQQOVOWPITQNM-SCZZXKLOSA-N 2 1 303.269 2.988 20 0 DFADMP Cc1cc(Br)c(C[N@@H+]2C[C@H](C[NH3+])C[C@H]2C)s1 ZINC000414653681 428364771 /nfs/dbraw/zinc/36/47/71/428364771.db2.gz BGQQOVOWPITQNM-SCZZXKLOSA-N 2 1 303.269 2.988 20 0 DFADMP C[C@@H]1CCC[C@H](C[N@H+]2CC[C@@H](N3CC[NH+](C)CC3)[C@H](C)C2)C1 ZINC000356985370 428369075 /nfs/dbraw/zinc/36/90/75/428369075.db2.gz NZKCITJWVMRBHQ-AKHDSKFASA-N 2 1 307.526 2.771 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H](CO)C1CC1 ZINC000353059685 428370800 /nfs/dbraw/zinc/37/08/00/428370800.db2.gz HQDDBKCMMRUFBD-SFHVURJKSA-N 2 1 304.478 2.753 20 0 DFADMP C[N@H+]1CCC[C@H]1CC[NH+]1CCC(O)(Cc2ccc(F)cc2)CC1 ZINC000360617852 428370816 /nfs/dbraw/zinc/37/08/16/428370816.db2.gz HICPUPXGRHREMC-SFHVURJKSA-N 2 1 320.452 2.679 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC[N@@H+]1C ZINC000360616074 428371437 /nfs/dbraw/zinc/37/14/37/428371437.db2.gz UDDOKJZETPJLFF-OSAQELSMSA-N 2 1 305.397 2.671 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCC(=O)Nc3ccc(F)cc32)CC[N@H+]1C ZINC000360616074 428371443 /nfs/dbraw/zinc/37/14/43/428371443.db2.gz UDDOKJZETPJLFF-OSAQELSMSA-N 2 1 305.397 2.671 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@@H](C)c3ccccn3)C2)nc(C)[nH+]1 ZINC000371151623 428371524 /nfs/dbraw/zinc/37/15/24/428371524.db2.gz OVSUNZRZGIMXOB-GOEBONIOSA-N 2 1 311.433 2.808 20 0 DFADMP CC[N@H+](Cc1nc2ccccc2c(=O)[nH]1)C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414675532 428372774 /nfs/dbraw/zinc/37/27/74/428372774.db2.gz TYLVUFNYBWVPMB-UONOGXRCSA-N 2 1 314.433 2.545 20 0 DFADMP C[C@H]1C[C@@H](C[N@@H+](C)CC(=O)Nc2cccc(Cl)c2)CC[NH2+]1 ZINC000414682642 428374032 /nfs/dbraw/zinc/37/40/32/428374032.db2.gz YUNUWNVTNRGDQF-STQMWFEESA-N 2 1 309.841 2.598 20 0 DFADMP CC(C)[C@@H]([NH2+]C[C@H](O)C[NH+]1CCCC1)c1ccc(F)c(F)c1 ZINC000342268638 428376675 /nfs/dbraw/zinc/37/66/75/428376675.db2.gz QHDLWTSDHMQNQR-WMLDXEAASA-N 2 1 312.404 2.708 20 0 DFADMP C[C@@H]1C[C@@H](C[N@@H+](C)[C@@H]2CCCN(c3ccccc3)C2)CC[NH2+]1 ZINC000414698146 428378167 /nfs/dbraw/zinc/37/81/67/428378167.db2.gz IPPRKZCMOFBPDF-ZIFCJYIRSA-N 2 1 301.478 2.975 20 0 DFADMP COc1cccc([C@H](C)[NH+]2CCN(C[C@H]([NH3+])CC(C)C)CC2)c1 ZINC000414704622 428380615 /nfs/dbraw/zinc/38/06/15/428380615.db2.gz WGMKZMGVXKULGP-FUHWJXTLSA-N 2 1 319.493 2.747 20 0 DFADMP CCN(C[C@H]1CC[N@H+](C[C@@H]([NH3+])CC(C)C)C1)CC(F)(F)F ZINC000414702566 428381357 /nfs/dbraw/zinc/38/13/57/428381357.db2.gz IQTLRDVBZQYEJU-KGLIPLIRSA-N 2 1 309.420 2.566 20 0 DFADMP CCN(C[C@H]1CC[N@@H+](C[C@@H]([NH3+])CC(C)C)C1)CC(F)(F)F ZINC000414702566 428381360 /nfs/dbraw/zinc/38/13/60/428381360.db2.gz IQTLRDVBZQYEJU-KGLIPLIRSA-N 2 1 309.420 2.566 20 0 DFADMP CC(C)C[C@H](N)C[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414703575 428381875 /nfs/dbraw/zinc/38/18/75/428381875.db2.gz CLOWDXOJQXNSNB-KRWDZBQOSA-N 2 1 304.482 2.603 20 0 DFADMP CC(C)C[C@H]([NH3+])CN(C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000414703575 428381880 /nfs/dbraw/zinc/38/18/80/428381880.db2.gz CLOWDXOJQXNSNB-KRWDZBQOSA-N 2 1 304.482 2.603 20 0 DFADMP C[C@H]1C[C@H](C[N@H+]2CCc3c(cnn3-c3ccccc3)C2)CC[NH2+]1 ZINC000414713075 428383517 /nfs/dbraw/zinc/38/35/17/428383517.db2.gz VQQWUIFWQDRTFR-JKSUJKDBSA-N 2 1 310.445 2.619 20 0 DFADMP Cc1cc([C@@H]2C[N@@H+](C[C@@H]3CC[NH2+][C@@H](C)C3)CCO2)ccc1F ZINC000414718544 428385604 /nfs/dbraw/zinc/38/56/04/428385604.db2.gz ZHNZEYMXQFILQK-DAYGRLMNSA-N 2 1 306.425 2.896 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2C[C@H](C)O[C@@H](c3ccc(F)cc3)C2)CC[NH2+]1 ZINC000414715948 428385759 /nfs/dbraw/zinc/38/57/59/428385759.db2.gz WINCYHSHUWGTQR-BASYENTBSA-N 2 1 306.425 2.976 20 0 DFADMP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+]2CCC[C@@H]2CCC2CCCC2)C1 ZINC000414715442 428386032 /nfs/dbraw/zinc/38/60/32/428386032.db2.gz WUGCARZAYWNWCL-ZWKOTPCHSA-N 2 1 321.509 2.619 20 0 DFADMP CCCCOc1cc(C[N@@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357101810 428387334 /nfs/dbraw/zinc/38/73/34/428387334.db2.gz DYQMXJXYQSFZHR-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP CCCCOc1cc(C[N@H+]2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccc1OC ZINC000357101810 428387339 /nfs/dbraw/zinc/38/73/39/428387339.db2.gz DYQMXJXYQSFZHR-IAGOWNOFSA-N 2 1 318.461 2.915 20 0 DFADMP O=C(C[NH+]1CCC([C@H]2CC[NH2+]C2)CC1)Nc1cccc(Cl)c1 ZINC000357100442 428387479 /nfs/dbraw/zinc/38/74/79/428387479.db2.gz FRYLBTNCSJXWFX-AWEZNQCLSA-N 2 1 321.852 2.600 20 0 DFADMP CC(C)C[C@H](C[NH3+])[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414856716 428436213 /nfs/dbraw/zinc/43/62/13/428436213.db2.gz ZJJSRBQMQYCERX-SJLPKXTDSA-N 2 1 306.450 2.707 20 0 DFADMP C[C@@H](C[NH3+])C[NH2+]Cc1nc(-c2ccc(Br)cc2)c[nH]1 ZINC000414870283 428438981 /nfs/dbraw/zinc/43/89/81/428438981.db2.gz CAANFWQJEJORPE-JTQLQIEISA-N 2 1 323.238 2.524 20 0 DFADMP CC[NH+]1CCC([N@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347089233 428439815 /nfs/dbraw/zinc/43/98/15/428439815.db2.gz ZQWSUJYPBOFELW-KRWDZBQOSA-N 2 1 310.869 2.660 20 0 DFADMP CC[NH+]1CCC([N@@H+](C)C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000347089233 428439821 /nfs/dbraw/zinc/43/98/21/428439821.db2.gz ZQWSUJYPBOFELW-KRWDZBQOSA-N 2 1 310.869 2.660 20 0 DFADMP CS[C@H](CO)[C@H](C)[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000357228214 428444445 /nfs/dbraw/zinc/44/44/45/428444445.db2.gz FPRLUPWSEOYUQV-UOVPBQLFSA-N 2 1 322.518 2.599 20 0 DFADMP [NH3+]C[C@H]1CCC[N@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347097797 428444726 /nfs/dbraw/zinc/44/47/26/428444726.db2.gz KCAXZRYXMDSDBE-MRXNPFEDSA-N 2 1 311.429 2.831 20 0 DFADMP [NH3+]C[C@H]1CCC[N@@H+](Cc2ccccc2OCc2ccccn2)C1 ZINC000347097797 428444733 /nfs/dbraw/zinc/44/47/33/428444733.db2.gz KCAXZRYXMDSDBE-MRXNPFEDSA-N 2 1 311.429 2.831 20 0 DFADMP COc1cc(C[N@@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(SC)cc1OC ZINC000347099006 428445725 /nfs/dbraw/zinc/44/57/25/428445725.db2.gz JBYDNQYASOGUGH-QWHCGFSZSA-N 2 1 324.490 2.985 20 0 DFADMP COc1cc(C[N@H+]2CCC[C@@H]([C@H](C)[NH3+])C2)c(SC)cc1OC ZINC000347099006 428445728 /nfs/dbraw/zinc/44/57/28/428445728.db2.gz JBYDNQYASOGUGH-QWHCGFSZSA-N 2 1 324.490 2.985 20 0 DFADMP C[C@H]1C[C@H](NC(=O)CCC(C)(C)[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379664606 428450779 /nfs/dbraw/zinc/45/07/79/428450779.db2.gz PTGUJFCJMHHHIA-DOTOQJQBSA-N 2 1 317.477 2.673 20 0 DFADMP C[C@@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)[N@H+](C)Cc1ccccc1 ZINC000379656172 428451898 /nfs/dbraw/zinc/45/18/98/428451898.db2.gz OJBCLMKIFQUJRZ-DZGCQCFKSA-N 2 1 318.383 2.800 20 0 DFADMP C[C@@H](CC[NH2+]C[C@@](C)(O)C(F)(F)F)[N@@H+](C)Cc1ccccc1 ZINC000379656172 428451904 /nfs/dbraw/zinc/45/19/04/428451904.db2.gz OJBCLMKIFQUJRZ-DZGCQCFKSA-N 2 1 318.383 2.800 20 0 DFADMP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1C[NH2+]CC[C@@H]1C ZINC000414908238 428452326 /nfs/dbraw/zinc/45/23/26/428452326.db2.gz BDRZSRDGJXBRLJ-ZOWXZIJZSA-N 2 1 311.267 2.968 20 0 DFADMP C[C@]1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CCC[NH2+]C1 ZINC000414910025 428453979 /nfs/dbraw/zinc/45/39/79/428453979.db2.gz SCTCEYRSWMFLKI-INIZCTEOSA-N 2 1 302.447 2.684 20 0 DFADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@H]2C)CCCCC1 ZINC000372486105 428454122 /nfs/dbraw/zinc/45/41/22/428454122.db2.gz HGDGWANMKOHOKH-FGTMMUONSA-N 2 1 324.509 2.815 20 0 DFADMP COc1ccc(Br)c(C[NH2+][C@@H]2CCC[NH2+]CC2)c1 ZINC000414909391 428454804 /nfs/dbraw/zinc/45/48/04/428454804.db2.gz DMLONGDSWDTBIM-GFCCVEGCSA-N 2 1 313.239 2.689 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000342801238 428459644 /nfs/dbraw/zinc/45/96/44/428459644.db2.gz WPTVRFSZXFGIKW-QOKNQOGYSA-N 2 1 317.477 2.513 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[C@H](C)[N@H+](C3CC3)C2)cc1 ZINC000342801238 428459647 /nfs/dbraw/zinc/45/96/47/428459647.db2.gz WPTVRFSZXFGIKW-QOKNQOGYSA-N 2 1 317.477 2.513 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)cc1 ZINC000342801230 428460248 /nfs/dbraw/zinc/46/02/48/428460248.db2.gz WPTVRFSZXFGIKW-ALKREAHSSA-N 2 1 317.477 2.513 20 0 DFADMP COc1ccc([C@H](C[NH+](C)C)N[C@H]2C[C@@H](C)[N@H+](C3CC3)C2)cc1 ZINC000342801230 428460253 /nfs/dbraw/zinc/46/02/53/428460253.db2.gz WPTVRFSZXFGIKW-ALKREAHSSA-N 2 1 317.477 2.513 20 0 DFADMP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C[C@H]1[NH2+]CCCC1(C)C ZINC000414923684 428460337 /nfs/dbraw/zinc/46/03/37/428460337.db2.gz FOSPACIQOAGVJH-CZUORRHYSA-N 2 1 321.440 2.911 20 0 DFADMP CC[C@H]1C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)CC[C@H]1[NH3+] ZINC000387704480 428461979 /nfs/dbraw/zinc/46/19/79/428461979.db2.gz IPAFNZRAEZBMOW-QWHCGFSZSA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@H]1C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)CC[C@H]1[NH3+] ZINC000387704480 428461982 /nfs/dbraw/zinc/46/19/82/428461982.db2.gz IPAFNZRAEZBMOW-QWHCGFSZSA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@@H]1C[N@H+](Cc2ccc(OC(F)F)c(OC)c2)CC[C@H]1[NH3+] ZINC000387704476 428462196 /nfs/dbraw/zinc/46/21/96/428462196.db2.gz IPAFNZRAEZBMOW-CHWSQXEVSA-N 2 1 314.376 2.856 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC(F)F)c(OC)c2)CC[C@H]1[NH3+] ZINC000387704476 428462203 /nfs/dbraw/zinc/46/22/03/428462203.db2.gz IPAFNZRAEZBMOW-CHWSQXEVSA-N 2 1 314.376 2.856 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1NC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000414932102 428464034 /nfs/dbraw/zinc/46/40/34/428464034.db2.gz QQVKZTXMHMGDQZ-RDTXWAMCSA-N 2 1 321.896 2.892 20 0 DFADMP CSc1cc2c(cc1C[N@@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)OCCO2 ZINC000347138868 428464993 /nfs/dbraw/zinc/46/49/93/428464993.db2.gz VKOWCEKNGKEBCR-CHWSQXEVSA-N 2 1 322.474 2.739 20 0 DFADMP C[C@@H](CCNc1cc[nH+]c(N2CCCCC2)n1)[NH+]1CCCCC1 ZINC000353278209 428465017 /nfs/dbraw/zinc/46/50/17/428465017.db2.gz VZNPRGLHJBBFEA-INIZCTEOSA-N 2 1 317.481 3.143 20 0 DFADMP CSc1cc2c(cc1C[N@H+]1CCC[C@@H]([C@@H](C)[NH3+])C1)OCCO2 ZINC000347138868 428465000 /nfs/dbraw/zinc/46/50/00/428465000.db2.gz VKOWCEKNGKEBCR-CHWSQXEVSA-N 2 1 322.474 2.739 20 0 DFADMP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cc(Cl)c2c(c1)OCCCO2 ZINC000414953172 428469171 /nfs/dbraw/zinc/46/91/71/428469171.db2.gz JBTLNPWEHKTNMT-SMDDNHRTSA-N 2 1 310.825 2.589 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000360863018 428469437 /nfs/dbraw/zinc/46/94/37/428469437.db2.gz YNTBNEKJNHEZSW-QKLQHJQFSA-N 2 1 324.472 2.908 20 0 DFADMP C[C@H](Cc1cnccn1)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000360863018 428469443 /nfs/dbraw/zinc/46/94/43/428469443.db2.gz YNTBNEKJNHEZSW-QKLQHJQFSA-N 2 1 324.472 2.908 20 0 DFADMP CC(C)Oc1ccc(C[N@H+]2C[C@H](C[NH3+])C3(C2)CCOCC3)cc1 ZINC000414798785 428415328 /nfs/dbraw/zinc/41/53/28/428415328.db2.gz ZHBGGRRTIJZUBN-KRWDZBQOSA-N 2 1 318.461 2.661 20 0 DFADMP Cc1nc(COc2ccc(C[NH2+][C@H](C[NH3+])C3CC3)cc2)cs1 ZINC000414802400 428416868 /nfs/dbraw/zinc/41/68/68/428416868.db2.gz MUWISEXJBJCWHU-QGZVFWFLSA-N 2 1 317.458 2.857 20 0 DFADMP CCC([NH3+])(CC)C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000414810147 428419508 /nfs/dbraw/zinc/41/95/08/428419508.db2.gz WXKNQJUQEOLXIN-QGZVFWFLSA-N 2 1 306.450 2.852 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1cccc(OC)c1 ZINC000414816780 428421547 /nfs/dbraw/zinc/42/15/47/428421547.db2.gz QPHFBIODXSWBNZ-UKRRQHHQSA-N 2 1 307.438 2.519 20 0 DFADMP C[C@H]1C[N@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1[NH3+] ZINC000347044312 428423400 /nfs/dbraw/zinc/42/34/00/428423400.db2.gz MXROZGWVQPBMID-WCQYABFASA-N 2 1 302.340 2.797 20 0 DFADMP C[C@H]1C[N@@H+](Cc2ccccc2OCC(F)(F)F)CC[C@H]1[NH3+] ZINC000347044312 428423404 /nfs/dbraw/zinc/42/34/04/428423404.db2.gz MXROZGWVQPBMID-WCQYABFASA-N 2 1 302.340 2.797 20 0 DFADMP CCOc1cccc(C[NH2+]C[C@@H]2CCC[NH2+]C2)c1OC(F)F ZINC000414822186 428425043 /nfs/dbraw/zinc/42/50/43/428425043.db2.gz CJGUOXHTSNNLND-GFCCVEGCSA-N 2 1 314.376 2.776 20 0 DFADMP CCN(CC[C@H]1CCCC[N@H+]1C)CC(=O)N1CCCCCC1 ZINC000353199657 428427674 /nfs/dbraw/zinc/42/76/74/428427674.db2.gz KMJAVFSFLMHVBD-QGZVFWFLSA-N 2 1 309.498 2.585 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1C(C)C ZINC000414835263 428428414 /nfs/dbraw/zinc/42/84/14/428428414.db2.gz IGIUBGHFZQNBOD-HNNXBMFYSA-N 2 1 300.450 2.941 20 0 DFADMP Cc1noc(C2(C)CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000378580600 428429125 /nfs/dbraw/zinc/42/91/25/428429125.db2.gz LSLAPPSJHOLXMI-OAHLLOKOSA-N 2 1 306.454 2.606 20 0 DFADMP Cc1noc(C2(C)CC[NH+](CC[C@H]3CCCC[N@@H+]3C)CC2)n1 ZINC000378580600 428429137 /nfs/dbraw/zinc/42/91/37/428429137.db2.gz LSLAPPSJHOLXMI-OAHLLOKOSA-N 2 1 306.454 2.606 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H](C[NH3+])C2CCCCC2)cc1 ZINC000414838397 428429955 /nfs/dbraw/zinc/42/99/55/428429955.db2.gz KRORPSDODQLUDA-SFHVURJKSA-N 2 1 306.450 2.709 20 0 DFADMP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@@H]1CCC[NH2+]1 ZINC000414844749 428432185 /nfs/dbraw/zinc/43/21/85/428432185.db2.gz LHQZUPHKKRBDSQ-GJZGRUSLSA-N 2 1 303.450 2.869 20 0 DFADMP Cc1cc(Br)c(C[NH2+]C[C@H]2CCC[NH2+]C2)s1 ZINC000414849051 428432278 /nfs/dbraw/zinc/43/22/78/428432278.db2.gz HCGBNQRCUASPCZ-JTQLQIEISA-N 2 1 303.269 2.908 20 0 DFADMP O=c1ccc(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)c[nH]1 ZINC000392725799 428480467 /nfs/dbraw/zinc/48/04/67/428480467.db2.gz SHZMEAJLRJURGT-UHFFFAOYSA-N 2 1 311.429 2.584 20 0 DFADMP C[C@@H](CCc1ccc(F)cc1)[NH2+]C[C@H]1CC[NH2+]CC1(F)F ZINC000414996738 428482784 /nfs/dbraw/zinc/48/27/84/428482784.db2.gz GUSMVTLYVIFUIY-GXTWGEPZSA-N 2 1 300.368 2.981 20 0 DFADMP CC(C)[N@@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002333 428486215 /nfs/dbraw/zinc/48/62/15/428486215.db2.gz MBUBKHUVTGAQRK-UONOGXRCSA-N 3 1 322.522 2.517 20 0 DFADMP CC(C)[N@H+]1CCc2nc(C[NH2+]C[C@H]3CCC[C@@H]([NH3+])C3)sc2C1 ZINC000415002333 428486219 /nfs/dbraw/zinc/48/62/19/428486219.db2.gz MBUBKHUVTGAQRK-UONOGXRCSA-N 3 1 322.522 2.517 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@@H]1C)C1CCCC1 ZINC000372679119 428487107 /nfs/dbraw/zinc/48/71/07/428487107.db2.gz DBXSKAIWOQCENV-AITUJVMLSA-N 2 1 324.509 2.671 20 0 DFADMP COC[C@H]([NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C)C1CCCC1 ZINC000372679119 428487112 /nfs/dbraw/zinc/48/71/12/428487112.db2.gz DBXSKAIWOQCENV-AITUJVMLSA-N 2 1 324.509 2.671 20 0 DFADMP C[C@@H]1C[C@@H](N[C@@H]2C[NH2+]CCC2(F)F)CC[N@H+]1Cc1ccccc1 ZINC000415008010 428488616 /nfs/dbraw/zinc/48/86/16/428488616.db2.gz VLJKWJHOFMYBPG-HYVNUMGLSA-N 2 1 323.431 2.626 20 0 DFADMP C[C@H]1CCc2nc(C[NH2+]C[C@H]3CC[NH2+]CC3(F)F)sc2C1 ZINC000415006650 428489092 /nfs/dbraw/zinc/48/90/92/428489092.db2.gz QKOLFPMIDUQSOE-WDEREUQCSA-N 2 1 315.433 2.602 20 0 DFADMP COC1CC([NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000347194588 428489392 /nfs/dbraw/zinc/48/93/92/428489392.db2.gz HQHHFXQTYYFWFY-MYMYQCDVSA-N 2 1 318.461 2.563 20 0 DFADMP [NH3+]C[C@@H]1CC[C@@H]([NH2+]C2CC[NH+](CCc3ccc(F)cc3)CC2)C1 ZINC000415029553 428492497 /nfs/dbraw/zinc/49/24/97/428492497.db2.gz DUBBJKKNJRIYSS-VQIMIIECSA-N 3 1 319.468 2.550 20 0 DFADMP [NH3+]C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3Cc2ccccc2)C1 ZINC000415028132 428493878 /nfs/dbraw/zinc/49/38/78/428493878.db2.gz CGQGNQZLJCDPNL-XIBWBMNSSA-N 3 1 313.489 2.899 20 0 DFADMP [NH3+]C[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3Cc2ccccc2)C1 ZINC000415028132 428493884 /nfs/dbraw/zinc/49/38/84/428493884.db2.gz CGQGNQZLJCDPNL-XIBWBMNSSA-N 2 1 313.489 2.899 20 0 DFADMP COc1ccc(-c2n[nH]cc2C[N@H+]2CCC[C@@H]([C@@H](C)[NH3+])C2)cc1 ZINC000347216037 428496174 /nfs/dbraw/zinc/49/61/74/428496174.db2.gz QZMNMILKIFAWRV-UKRRQHHQSA-N 2 1 314.433 2.645 20 0 DFADMP Cc1cc(Cl)cc(C)c1C[N@H+](C)C1CCN(CCO)CC1 ZINC000353357235 428499552 /nfs/dbraw/zinc/49/95/52/428499552.db2.gz ULAZXRBJWBHFOB-UHFFFAOYSA-N 2 1 310.869 2.845 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCCC[N@@H+](C)C1CCCCC1 ZINC000395711096 428499704 /nfs/dbraw/zinc/49/97/04/428499704.db2.gz PZWOCGQZIDQTIF-INIZCTEOSA-N 2 1 311.514 2.781 20 0 DFADMP Cc1ccccc1NC(=O)C[C@@H](C)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052490 428500426 /nfs/dbraw/zinc/50/04/26/428500426.db2.gz HTDZDHRZKLMLRG-IIDMSEBBSA-N 2 1 303.450 2.629 20 0 DFADMP CSc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)cc1 ZINC000415051931 428501852 /nfs/dbraw/zinc/50/18/52/428501852.db2.gz KALYNLOTZOMLEV-UHFFFAOYSA-N 2 1 319.518 2.715 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000342994883 428502367 /nfs/dbraw/zinc/50/23/67/428502367.db2.gz AIRYTKHQARIYTL-WMZOPIPTSA-N 2 1 314.408 2.728 20 0 DFADMP Fc1ccc(-n2cc(C[NH2+][C@H]3CC[N@H+]4CCC[C@H]4C3)cn2)cc1 ZINC000342994883 428502369 /nfs/dbraw/zinc/50/23/69/428502369.db2.gz AIRYTKHQARIYTL-WMZOPIPTSA-N 2 1 314.408 2.728 20 0 DFADMP C[C@@H]1C[N@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@]1(C)C[NH3+] ZINC000415055199 428503380 /nfs/dbraw/zinc/50/33/80/428503380.db2.gz NJKQRDZZWDHMFN-CXAGYDPISA-N 2 1 318.852 2.942 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnn(-c3ccc(Cl)cc3)c2)C[C@@]1(C)C[NH3+] ZINC000415055199 428503388 /nfs/dbraw/zinc/50/33/88/428503388.db2.gz NJKQRDZZWDHMFN-CXAGYDPISA-N 2 1 318.852 2.942 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2cnc(-c3ccncc3)s2)C[C@@]1(C)C[NH3+] ZINC000415055271 428503475 /nfs/dbraw/zinc/50/34/75/428503475.db2.gz NZWXHLZKXDKEKQ-MLGOLLRUSA-N 2 1 302.447 2.622 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2C[C@@H]2c2ccccc2)CC1 ZINC000353364675 428503654 /nfs/dbraw/zinc/50/36/54/428503654.db2.gz OMCWTWNPTUCHTL-PWIZWCRZSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](N[C@@H]1CCC[NH2+][C@@H]1C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000396698508 428505137 /nfs/dbraw/zinc/50/51/37/428505137.db2.gz KHZWGJLEEDMONN-OGWHTMIXSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060702 428506576 /nfs/dbraw/zinc/50/65/76/428506576.db2.gz XIMUDRMDZXUIGI-VNCLNFNDSA-N 2 1 319.468 2.563 20 0 DFADMP C[C@H](CCc1ccsc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060050 428506835 /nfs/dbraw/zinc/50/68/35/428506835.db2.gz VZNYHXLQKYSAKP-FAEJEUNOSA-N 2 1 321.534 2.875 20 0 DFADMP C[C@@H](CC(=O)Nc1cccc(Cl)c1)[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415061739 428506860 /nfs/dbraw/zinc/50/68/60/428506860.db2.gz XDSSKVVVHBEFFS-IIYDPXPESA-N 2 1 323.868 2.974 20 0 DFADMP [NH3+]C[C@@H]([NH2+]Cc1ccc(Oc2cnccn2)cc1)C1CCCC1 ZINC000415065247 428507012 /nfs/dbraw/zinc/50/70/12/428507012.db2.gz MMXUYHYFNWDTAX-QGZVFWFLSA-N 2 1 312.417 2.876 20 0 DFADMP Clc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)s1 ZINC000415061008 428507170 /nfs/dbraw/zinc/50/71/70/428507170.db2.gz XQFWDCRLSQDNRK-UHFFFAOYSA-N 2 1 313.898 2.708 20 0 DFADMP COc1ccc(C[N@@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(OC)c1OC ZINC000397243854 428507227 /nfs/dbraw/zinc/50/72/27/428507227.db2.gz AVAKBRKRZUZCAJ-NFAWXSAZSA-N 2 1 322.449 2.518 20 0 DFADMP COc1ccc(C[N@H+]2C[C@H](C[NH3+])[C@H](C)C[C@H]2C)c(OC)c1OC ZINC000397243854 428507232 /nfs/dbraw/zinc/50/72/32/428507232.db2.gz AVAKBRKRZUZCAJ-NFAWXSAZSA-N 2 1 322.449 2.518 20 0 DFADMP C[C@@H](CCc1ccsc1)[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415060051 428507864 /nfs/dbraw/zinc/50/78/64/428507864.db2.gz VZNYHXLQKYSAKP-ZLPCBKJTSA-N 2 1 321.534 2.875 20 0 DFADMP C[C@@H]1C[C@H](N[C@H]2CCCC[NH2+]C2)CC[N@H+]1Cc1ccccc1 ZINC000415067033 428509021 /nfs/dbraw/zinc/50/90/21/428509021.db2.gz JWOBYIQEBHPFGD-QRQLOZEOSA-N 2 1 301.478 2.771 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000360960084 428510371 /nfs/dbraw/zinc/51/03/71/428510371.db2.gz YQPSHBYGSCVHLX-XYJFISCASA-N 2 1 323.525 2.924 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](CCC(=O)Nc2ccccc2Cl)C[C@H]1C[NH3+] ZINC000397338205 428510386 /nfs/dbraw/zinc/51/03/86/428510386.db2.gz CLDUSZJNSPYPAX-HZSPNIEDSA-N 2 1 323.868 2.974 20 0 DFADMP CCc1noc(C2CCC([NH2+][C@H](C[NH3+])C3CCCC3)CC2)n1 ZINC000415069683 428510347 /nfs/dbraw/zinc/51/03/47/428510347.db2.gz TUUFYWVFFNDERX-YMAMQOFZSA-N 2 1 306.454 2.765 20 0 DFADMP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H](C[NH3+])C1CCCC1 ZINC000415069717 428510844 /nfs/dbraw/zinc/51/08/44/428510844.db2.gz TVOKGLNKYCTRRO-XJKSGUPXSA-N 2 1 304.434 2.844 20 0 DFADMP Fc1cc(C[NH2+]CCC[NH2+]C2CC2)ccc1OCC(F)(F)F ZINC000415074181 428511159 /nfs/dbraw/zinc/51/11/59/428511159.db2.gz ZOWTUISJNVKTFZ-UHFFFAOYSA-N 2 1 320.330 2.999 20 0 DFADMP CCc1nn(C)c(CC)c1C[NH2+][C@H](C)C[C@H]1CCCCC[NH2+]1 ZINC000415077374 428511820 /nfs/dbraw/zinc/51/18/20/428511820.db2.gz DWFVOAOSBDKPMC-HUUCEWRRSA-N 2 1 306.498 2.945 20 0 DFADMP c1ccc([C@@H]2C[C@H]([NH2+][C@@H]3CCN(c4ccccn4)C3)CC[NH2+]2)cc1 ZINC000415086424 428515258 /nfs/dbraw/zinc/51/52/58/428515258.db2.gz ROGMHGBVBATMSV-QRVBRYPASA-N 2 1 322.456 2.743 20 0 DFADMP CON1CCC([NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398172053 428517905 /nfs/dbraw/zinc/51/79/05/428517905.db2.gz UXCLLACNTVTIRS-APWZRJJASA-N 2 1 317.477 2.512 20 0 DFADMP CON1CCC([NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398172053 428517908 /nfs/dbraw/zinc/51/79/08/428517908.db2.gz UXCLLACNTVTIRS-APWZRJJASA-N 2 1 317.477 2.512 20 0 DFADMP CON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398172067 428518641 /nfs/dbraw/zinc/51/86/41/428518641.db2.gz UXCLLACNTVTIRS-VQIMIIECSA-N 2 1 317.477 2.512 20 0 DFADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398172067 428518644 /nfs/dbraw/zinc/51/86/44/428518644.db2.gz UXCLLACNTVTIRS-VQIMIIECSA-N 2 1 317.477 2.512 20 0 DFADMP Cc1cc(C[N@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)ccc1Cl ZINC000415100834 428518888 /nfs/dbraw/zinc/51/88/88/428518888.db2.gz AOAYLSUGSVMHMV-OAHLLOKOSA-N 2 1 319.840 2.536 20 0 DFADMP Cc1ccc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC000353390188 428518958 /nfs/dbraw/zinc/51/89/58/428518958.db2.gz YTJKGWZWPCAWSA-FQEVSTJZSA-N 2 1 315.505 2.905 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@H](C)[C@H](C[NH3+])C2)ccc1OC ZINC000415103267 428521997 /nfs/dbraw/zinc/52/19/97/428521997.db2.gz CZWYXWBZWXNTJC-WMLDXEAASA-N 2 1 306.450 2.648 20 0 DFADMP COc1cc(C[N@H+]2CC[C@H](C)[C@@H](C[NH3+])C2)ccc1OC(C)C ZINC000415102001 428522104 /nfs/dbraw/zinc/52/21/04/428522104.db2.gz CANJJVSOIXCION-HOCLYGCPSA-N 2 1 306.450 2.899 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2ccc(OC[C@@H]3CCCO3)cc2)C[C@@H]1C[NH3+] ZINC000415120060 428526143 /nfs/dbraw/zinc/52/61/43/428526143.db2.gz FURWZPLYGQKXCQ-AYBZRNKSSA-N 2 1 318.461 2.661 20 0 DFADMP CCOc1ccc(C[N@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)cc1OCC ZINC000415121379 428527098 /nfs/dbraw/zinc/52/70/98/428527098.db2.gz GYPUTUSZVWTXKR-ZBFHGGJFSA-N 2 1 306.450 2.901 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C)[C@@H](C[NH3+])C2)c(-c2ccnn2C)c1 ZINC000415133416 428532107 /nfs/dbraw/zinc/53/21/07/428532107.db2.gz VFLCKXGGIRCFSR-WBVHZDCISA-N 2 1 312.461 2.812 20 0 DFADMP [NH3+]Cc1cn([C@@H]2CCC[N@@H+](Cc3ccc(C(F)F)cc3)C2)nn1 ZINC000415126914 428528772 /nfs/dbraw/zinc/52/87/72/428528772.db2.gz MNMPWYIEHYHMDO-OAHLLOKOSA-N 2 1 321.375 2.512 20 0 DFADMP CCOc1c(OC)cc(C[N@@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415125452 428529437 /nfs/dbraw/zinc/52/94/37/428529437.db2.gz LFNKHOOOGBBMTK-UKRRQHHQSA-N 2 1 322.449 2.519 20 0 DFADMP CCOc1c(OC)cc(C[N@H+]2CC[C@@H](C)[C@H](C[NH3+])C2)cc1OC ZINC000415125452 428529439 /nfs/dbraw/zinc/52/94/39/428529439.db2.gz LFNKHOOOGBBMTK-UKRRQHHQSA-N 2 1 322.449 2.519 20 0 DFADMP C[C@H]1CCCC[N@H+]1Cc1ccccc1CN[C@H]1CCC[NH2+]C1 ZINC000415123647 428529734 /nfs/dbraw/zinc/52/97/34/428529734.db2.gz PYXNMUBHQCEYQD-LPHOPBHVSA-N 2 1 301.478 2.903 20 0 DFADMP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3c(F)cccc3F)CC2)C1 ZINC000415126128 428530105 /nfs/dbraw/zinc/53/01/05/428530105.db2.gz PHVKKGZFOFZSPJ-DYVFJYSZSA-N 2 1 310.388 2.683 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000390627119 428472905 /nfs/dbraw/zinc/47/29/05/428472905.db2.gz MWIVJUUMIUHLMR-PVAVHDDUSA-N 2 1 316.445 2.953 20 0 DFADMP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+][C@H]1CC[N@H+]2CCCC[C@@H]12 ZINC000390627119 428472910 /nfs/dbraw/zinc/47/29/10/428472910.db2.gz MWIVJUUMIUHLMR-PVAVHDDUSA-N 2 1 316.445 2.953 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000347155780 428473199 /nfs/dbraw/zinc/47/31/99/428473199.db2.gz DDXLADRLOYCDQS-CQSZACIVSA-N 2 1 314.433 2.517 20 0 DFADMP C[NH2+]C[C@H]1CCC[N@@H+](Cc2c[nH]nc2-c2ccc(OC)cc2)C1 ZINC000347155780 428473203 /nfs/dbraw/zinc/47/32/03/428473203.db2.gz DDXLADRLOYCDQS-CQSZACIVSA-N 2 1 314.433 2.517 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+]Cc1ccc(OCc2csc(C)n2)cc1 ZINC000414976954 428477420 /nfs/dbraw/zinc/47/74/20/428477420.db2.gz IVSHDTKYQQTDBT-CQSZACIVSA-N 2 1 305.447 2.857 20 0 DFADMP Fc1ccc([C@@H]2CC[NH2+]C[C@H]2[NH2+]C[C@@H]2CCSC2)cc1F ZINC000414968794 428478852 /nfs/dbraw/zinc/47/88/52/428478852.db2.gz YLGIMYSDIDCECD-DETPVDSQSA-N 2 1 312.429 2.753 20 0 DFADMP Cc1ncsc1CN(C)C[C@@H]1CC[N@@H+](CCOC2CCC2)C1 ZINC000347167497 428478948 /nfs/dbraw/zinc/47/89/48/428478948.db2.gz UYDJLYXPRZIENX-HNNXBMFYSA-N 2 1 323.506 2.774 20 0 DFADMP CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C(C)C)CC1)C1CC1 ZINC000358197877 428585920 /nfs/dbraw/zinc/58/59/20/428585920.db2.gz ONAVALFEURKSSZ-HZPDHXFCSA-N 2 1 323.525 2.874 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCC3)C2)[C@H](C)C1 ZINC000358301920 428593185 /nfs/dbraw/zinc/59/31/85/428593185.db2.gz PRHGAQNSFBGQRA-KURKYZTESA-N 2 1 324.509 2.815 20 0 DFADMP C[C@H]1CC[N@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1C[NH3+] ZINC000415132754 428533056 /nfs/dbraw/zinc/53/30/56/428533056.db2.gz ULEXTYOXKHGRCO-QWHCGFSZSA-N 2 1 302.397 2.633 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2c[nH]nc2-c2ccccc2F)C[C@H]1C[NH3+] ZINC000415132754 428533062 /nfs/dbraw/zinc/53/30/62/428533062.db2.gz ULEXTYOXKHGRCO-QWHCGFSZSA-N 2 1 302.397 2.633 20 0 DFADMP Cc1[nH+]ccn1C[C@H](C)C[NH2+]Cc1ccc(Br)cn1 ZINC000343194341 428533953 /nfs/dbraw/zinc/53/39/53/428533953.db2.gz WNSBXZJXIARZJK-LLVKDONJSA-N 2 1 323.238 2.775 20 0 DFADMP CC[C@@H]1CCC[C@H](C[N@H+]2CC3(CC[NH2+]CC3)[C@@H]3COC[C@@H]32)C1 ZINC000415136398 428534072 /nfs/dbraw/zinc/53/40/72/428534072.db2.gz HIGIRUIPYTXUKO-XDNAFOTISA-N 2 1 306.494 2.903 20 0 DFADMP C[N@H+]1CC[C@H](NC[C@H](c2ccco2)[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000353442206 428536358 /nfs/dbraw/zinc/53/63/58/428536358.db2.gz OVFKWKOIZVJVKP-XMTFNYHQSA-N 2 1 317.477 2.879 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)[C@@H](C(C)C)[C@H](C)[NH3+])CC1 ZINC000399492402 428540680 /nfs/dbraw/zinc/54/06/80/428540680.db2.gz AXJDBYNNBMUAEM-RDJZCZTQSA-N 2 1 311.514 2.576 20 0 DFADMP CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C)[C@@H]1CCC[N@H+](C2CCC2)C1 ZINC000357718201 428557654 /nfs/dbraw/zinc/55/76/54/428557654.db2.gz WKBWTFXNBSPLNC-ARFHVFGLSA-N 2 1 323.525 2.922 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CC2)CC[N@@H+]1Cc1ccccc1 ZINC000353487659 428559654 /nfs/dbraw/zinc/55/96/54/428559654.db2.gz NBNLSICWCNLYGC-ATZDWAIDSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]C[C@H](CO)C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000353487659 428559659 /nfs/dbraw/zinc/55/96/59/428559659.db2.gz NBNLSICWCNLYGC-ATZDWAIDSA-N 2 1 302.462 2.648 20 0 DFADMP OC1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3cccs3)C2)CC1 ZINC000353495264 428564505 /nfs/dbraw/zinc/56/45/05/428564505.db2.gz HUVNLPHBACOBGR-FHERZECASA-N 2 1 308.491 2.853 20 0 DFADMP OC1CCC([NH2+]C[C@@H]2CCC[N@@H+](Cc3cccs3)C2)CC1 ZINC000353495264 428564511 /nfs/dbraw/zinc/56/45/11/428564511.db2.gz HUVNLPHBACOBGR-FHERZECASA-N 2 1 308.491 2.853 20 0 DFADMP C[C@H]1CCC[N@@H+](CCC(=O)Nc2ccccc2F)[C@H]1CC[NH3+] ZINC000404287488 428566126 /nfs/dbraw/zinc/56/61/26/428566126.db2.gz ITFIGQWOZKVERA-BBRMVZONSA-N 2 1 307.413 2.604 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCC(=O)Nc2cccc(F)c2)[C@H]1CC[NH3+] ZINC000404311288 428567178 /nfs/dbraw/zinc/56/71/78/428567178.db2.gz WPLXBCUCUYVLEB-CJNGLKHVSA-N 2 1 307.413 2.604 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)c(OC)c1 ZINC000353503810 428567867 /nfs/dbraw/zinc/56/78/67/428567867.db2.gz PXOPIIKYVGZRQA-KSZLIROESA-N 2 1 318.461 2.709 20 0 DFADMP Cc1ccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)c1 ZINC000404362876 428569008 /nfs/dbraw/zinc/56/90/08/428569008.db2.gz GCWNERYALIWKOQ-RHSMWYFYSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CC[NH3+])c(C)c1 ZINC000404362876 428569013 /nfs/dbraw/zinc/56/90/13/428569013.db2.gz GCWNERYALIWKOQ-RHSMWYFYSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cccc(NC(=O)C[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1C ZINC000404403285 428569631 /nfs/dbraw/zinc/56/96/31/428569631.db2.gz SNQYBEHONDOIBZ-PBHICJAKSA-N 2 1 303.450 2.691 20 0 DFADMP Cc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])c1C ZINC000404403285 428569637 /nfs/dbraw/zinc/56/96/37/428569637.db2.gz SNQYBEHONDOIBZ-PBHICJAKSA-N 2 1 303.450 2.691 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)CC[N@H+]1C ZINC000361494979 428572767 /nfs/dbraw/zinc/57/27/67/428572767.db2.gz BBEJFIAZDSNKBA-RYRKJORJSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000361494979 428572773 /nfs/dbraw/zinc/57/27/73/428572773.db2.gz BBEJFIAZDSNKBA-RYRKJORJSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@@H]1C[C@@H](N(C)C(=O)[C@H]2CC[N@H+](C3CCCCC3)C2)CC[NH+]1C ZINC000361494979 428572776 /nfs/dbraw/zinc/57/27/76/428572776.db2.gz BBEJFIAZDSNKBA-RYRKJORJSA-N 2 1 321.509 2.582 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]2CC[NH2+][C@@H]2C(C)C)C1 ZINC000353526709 428577704 /nfs/dbraw/zinc/57/77/04/428577704.db2.gz RZYLJACTGVPNTB-IXDOHACOSA-N 2 1 323.525 2.637 20 0 DFADMP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353530479 428579998 /nfs/dbraw/zinc/57/99/98/428579998.db2.gz SRBUXTNPPDOTMP-YYIAUSFCSA-N 2 1 318.461 2.925 20 0 DFADMP COCC[C@H](COC)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353639745 428634212 /nfs/dbraw/zinc/63/42/12/428634212.db2.gz FCVZUCXAAINTSA-YTQUADARSA-N 2 1 320.477 2.681 20 0 DFADMP COCC[C@H](COC)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000353639745 428634214 /nfs/dbraw/zinc/63/42/14/428634214.db2.gz FCVZUCXAAINTSA-YTQUADARSA-N 2 1 320.477 2.681 20 0 DFADMP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000358569648 428607511 /nfs/dbraw/zinc/60/75/11/428607511.db2.gz WRSPUWDKGQDEFJ-KBAYOESNSA-N 2 1 317.477 2.524 20 0 DFADMP CCC[N@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000358618644 428610366 /nfs/dbraw/zinc/61/03/66/428610366.db2.gz XDEWJRHWFLHISO-UHFFFAOYSA-N 2 1 321.490 2.516 20 0 DFADMP CCC[N@@H+](C)CC(=O)Nc1ccccc1C[NH+]1CCSCC1 ZINC000358618644 428610372 /nfs/dbraw/zinc/61/03/72/428610372.db2.gz XDEWJRHWFLHISO-UHFFFAOYSA-N 2 1 321.490 2.516 20 0 DFADMP CCC[N@@H+](CC)C[C@H](C)NC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000415889704 428616381 /nfs/dbraw/zinc/61/63/81/428616381.db2.gz CFEWGOYYLBDBTG-AWEZNQCLSA-N 2 1 318.465 2.574 20 0 DFADMP C[C@@H](c1cc(F)ccc1F)[N@@H+](C)CCCN(C)CC[NH+](C)C ZINC000344039128 428616862 /nfs/dbraw/zinc/61/68/62/428616862.db2.gz TYBIQJDLNSDUIQ-AWEZNQCLSA-N 2 1 313.436 2.841 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)C(=O)Nc2cccc(C[NH2+]C)c2)C[C@@H]1C ZINC000415948856 428634495 /nfs/dbraw/zinc/63/44/95/428634495.db2.gz YVDNOLWHOFVCCQ-YOEHRIQHSA-N 2 1 318.465 2.743 20 0 DFADMP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCc3[nH]cnc3C2)CC1 ZINC000353614483 428623265 /nfs/dbraw/zinc/62/32/65/428623265.db2.gz XLXUPGOFNAIDFU-OGWOLHLISA-N 2 1 316.493 2.900 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC1CC[NH+](CCC(F)(F)F)CC1 ZINC000358691540 428629139 /nfs/dbraw/zinc/62/91/39/428629139.db2.gz XONSWAXSWIBTFR-ZDUSSCGKSA-N 2 1 309.420 2.723 20 0 DFADMP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2CCCC[C@H]2C)c1 ZINC000415939204 428632958 /nfs/dbraw/zinc/63/29/58/428632958.db2.gz YWIOQRPVYUILFA-OAHLLOKOSA-N 2 1 318.465 2.792 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2CC[N@@H+](CC(C)C)C2)c1 ZINC000415939555 428633143 /nfs/dbraw/zinc/63/31/43/428633143.db2.gz CJTSNSUJNBAHRY-INIZCTEOSA-N 2 1 318.465 2.505 20 0 DFADMP Cc1ncc(C[N@H+]2CC[C@@H](Nc3cc[nH+]cc3C)[C@@H](C)C2)s1 ZINC000373517501 428596144 /nfs/dbraw/zinc/59/61/44/428596144.db2.gz DALYNJZZLYKKDR-SUMWQHHRSA-N 2 1 316.474 2.899 20 0 DFADMP CC[C@H]1CCCC[N@H+]1CCNC(=O)Nc1ccc(C[NH3+])cc1 ZINC000415972673 428638605 /nfs/dbraw/zinc/63/86/05/428638605.db2.gz ILZWFQVBTFGGKH-INIZCTEOSA-N 2 1 304.438 2.531 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CCN(C(=O)Nc2ccc(C[NH2+]C)cc2)C1 ZINC000415976534 428639931 /nfs/dbraw/zinc/63/99/31/428639931.db2.gz VWSQUDSCSGZRKE-MRXNPFEDSA-N 2 1 318.465 2.602 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@@H]2[N@@H+](C)CCCC2(C)C)c1 ZINC000415958644 428635930 /nfs/dbraw/zinc/63/59/30/428635930.db2.gz LXSDDJVIUCBZAL-INIZCTEOSA-N 2 1 318.465 2.648 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)N[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000415958980 428636273 /nfs/dbraw/zinc/63/62/73/428636273.db2.gz OPIQVNXYCKFDBU-SFHVURJKSA-N 2 1 324.428 2.541 20 0 DFADMP COc1ccc(C)cc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355209743 274107125 /nfs/dbraw/zinc/10/71/25/274107125.db2.gz KBASVWWREBKZFR-ZIFCJYIRSA-N 2 1 318.461 2.687 20 0 DFADMP COc1ccc(C)cc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000355209743 274107127 /nfs/dbraw/zinc/10/71/27/274107127.db2.gz KBASVWWREBKZFR-ZIFCJYIRSA-N 2 1 318.461 2.687 20 0 DFADMP CC[C@H](C)[C@H]([NH3+])C(=O)NC[C@@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000353659690 428645281 /nfs/dbraw/zinc/64/52/81/428645281.db2.gz AQYCRVUCXZJIBU-DARAHFNDSA-N 2 1 323.506 2.621 20 0 DFADMP CCOC(=O)c1coc(C[N@@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000353661826 428646128 /nfs/dbraw/zinc/64/61/28/428646128.db2.gz XYOBKJKDHOWTLN-HNNXBMFYSA-N 2 1 317.389 2.626 20 0 DFADMP CCOC(=O)c1coc(C[N@H+]2CCC[C@H]2Cn2cc[nH+]c2C)c1 ZINC000353661826 428646132 /nfs/dbraw/zinc/64/61/32/428646132.db2.gz XYOBKJKDHOWTLN-HNNXBMFYSA-N 2 1 317.389 2.626 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCO2 ZINC000316745070 274139201 /nfs/dbraw/zinc/13/92/01/274139201.db2.gz ILSBSDOJHHUUHS-GRDNDAEWSA-N 2 1 302.418 2.735 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+]3CCC[C@H]3C1)CCO2 ZINC000316745070 274139202 /nfs/dbraw/zinc/13/92/02/274139202.db2.gz ILSBSDOJHHUUHS-GRDNDAEWSA-N 2 1 302.418 2.735 20 0 DFADMP COc1cccc(C[NH2+][C@@H]2CCc3[nH+]ccn3C2)c1OC(F)F ZINC000368845527 274146495 /nfs/dbraw/zinc/14/64/95/274146495.db2.gz MQJZPYXYZXZIBT-GFCCVEGCSA-N 2 1 323.343 2.598 20 0 DFADMP CC(C)C[C@H]([NH3+])C(=O)NC[C@H]1CCC[N@@H+](C)[C@H]1c1cccs1 ZINC000353664723 428647166 /nfs/dbraw/zinc/64/71/66/428647166.db2.gz QGBYLHUSZCRYPE-IJEWVQPXSA-N 2 1 323.506 2.621 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353668548 428649473 /nfs/dbraw/zinc/64/94/73/428649473.db2.gz OKEMFUPVRKSANY-NVXWUHKLSA-N 2 1 317.477 2.703 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@H]([NH3+])c2ccccc2)C1 ZINC000353668548 428649476 /nfs/dbraw/zinc/64/94/76/428649476.db2.gz OKEMFUPVRKSANY-NVXWUHKLSA-N 2 1 317.477 2.703 20 0 DFADMP CSC1(C[N@@H+](C)C2CC[NH+](C3CCOCC3)CC2)CCC1 ZINC000365616969 274174449 /nfs/dbraw/zinc/17/44/49/274174449.db2.gz MCWHGAHDEFVUNV-UHFFFAOYSA-N 2 1 312.523 2.847 20 0 DFADMP CC[N@H+](CCC1CC[NH+](Cc2nnc(C)o2)CC1)CC(C)C ZINC000358751862 428658784 /nfs/dbraw/zinc/65/87/84/428658784.db2.gz PDUNXHSTHUDPJQ-UHFFFAOYSA-N 2 1 308.470 2.958 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](Cc2nnc(C)o2)CC1)CC(C)C ZINC000358751862 428658787 /nfs/dbraw/zinc/65/87/87/428658787.db2.gz PDUNXHSTHUDPJQ-UHFFFAOYSA-N 2 1 308.470 2.958 20 0 DFADMP CC[N@@H+](CCC1CC[NH+](CC(=O)N(C)C2CC2)CC1)CC(C)C ZINC000358739990 428651871 /nfs/dbraw/zinc/65/18/71/428651871.db2.gz VJGSUHQIYAVDBG-UHFFFAOYSA-N 2 1 323.525 2.687 20 0 DFADMP C(N[C@@H]1CC[N@H+]2CCC[C@H]2C1)[C@H]1CCC[NH+]1C1CCCCC1 ZINC000373904152 428653968 /nfs/dbraw/zinc/65/39/68/428653968.db2.gz NNGQFUGPOITXJC-NZSAHSFTSA-N 2 1 305.510 3.000 20 0 DFADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000373904152 428653971 /nfs/dbraw/zinc/65/39/71/428653971.db2.gz NNGQFUGPOITXJC-NZSAHSFTSA-N 2 1 305.510 3.000 20 0 DFADMP C(N[C@@H]1CC[NH+]2CCC[C@H]2C1)[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000373904152 428653976 /nfs/dbraw/zinc/65/39/76/428653976.db2.gz NNGQFUGPOITXJC-NZSAHSFTSA-N 2 1 305.510 3.000 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@H]1[NH2+]Cc1cc(N(C)C)nc2ccccc12 ZINC000361806474 274336051 /nfs/dbraw/zinc/33/60/51/274336051.db2.gz IROBPROVBZZVTM-RHSMWYFYSA-N 2 1 312.461 2.731 20 0 DFADMP Oc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000348232239 428668651 /nfs/dbraw/zinc/66/86/51/428668651.db2.gz QKZZEFLJDQGOKJ-FGTMMUONSA-N 2 1 323.440 2.787 20 0 DFADMP Oc1cccnc1C[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@H]12 ZINC000348232239 428668656 /nfs/dbraw/zinc/66/86/56/428668656.db2.gz QKZZEFLJDQGOKJ-FGTMMUONSA-N 2 1 323.440 2.787 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C1CCN(c2ccccc2)CC1 ZINC000132758753 274339902 /nfs/dbraw/zinc/33/99/02/274339902.db2.gz VKSMLXDIROHMOO-MDZRGWNJSA-N 2 1 301.478 2.974 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000119964443 274340554 /nfs/dbraw/zinc/34/05/54/274340554.db2.gz PXNDSVJQSVFXCS-IXYNUQLISA-N 2 1 322.884 2.632 20 0 DFADMP CO[C@]1(C)CCC[NH+](CC(C)C[N@@H+]2CCC[C@@](C)(OC)C2)C1 ZINC000348230554 428669582 /nfs/dbraw/zinc/66/95/82/428669582.db2.gz HAOZMGHXOLHDOJ-QZTJIDSGSA-N 2 1 312.498 2.624 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000361982523 274355179 /nfs/dbraw/zinc/35/51/79/274355179.db2.gz RAOYYSKZNWZGKE-ATZDWAIDSA-N 2 1 324.472 2.767 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+][C@@H]1CCc2c[nH]nc2C1 ZINC000361982523 274355180 /nfs/dbraw/zinc/35/51/80/274355180.db2.gz RAOYYSKZNWZGKE-ATZDWAIDSA-N 2 1 324.472 2.767 20 0 DFADMP Clc1ccc(CC[N@H+]2CC[C@H](CN3CCOCC3)C2)cc1 ZINC000362305069 428696682 /nfs/dbraw/zinc/69/66/82/428696682.db2.gz KRHPPNXHFZWMGJ-INIZCTEOSA-N 2 1 308.853 2.537 20 0 DFADMP CCC[N@H+]1CCC[C@H]1CNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416246205 428698432 /nfs/dbraw/zinc/69/84/32/428698432.db2.gz UPASCJITMSBOCR-ROUUACIJSA-N 2 1 317.477 2.670 20 0 DFADMP OC[C@H](C[NH2+][C@H]1CC[N@H+]2CCC[C@@H]2C1)c1ccccc1Cl ZINC000348374810 428724085 /nfs/dbraw/zinc/72/40/85/428724085.db2.gz ACQFYUFBGSHKMM-SOUVJXGZSA-N 2 1 308.853 2.632 20 0 DFADMP CO[C@@H]1CCC[NH+](CCCC[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000374677052 428727410 /nfs/dbraw/zinc/72/74/10/428727410.db2.gz IMEOGZDRIYXUNE-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CO[C@@H]1CCC[N@@H+](CCCC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000374677052 428727414 /nfs/dbraw/zinc/72/74/14/428727414.db2.gz IMEOGZDRIYXUNE-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP CO[C@@H]1CCC[N@H+](CCCC[NH+]2CCC[C@H](OC)CC2)CC1 ZINC000374677052 428727416 /nfs/dbraw/zinc/72/74/16/428727416.db2.gz IMEOGZDRIYXUNE-HDICACEKSA-N 2 1 312.498 2.768 20 0 DFADMP Cc1nccn1CCCC[N@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000348269663 428686342 /nfs/dbraw/zinc/68/63/42/428686342.db2.gz VIQAAYCTPWFXIP-OAHLLOKOSA-N 2 1 307.438 2.778 20 0 DFADMP Cc1[nH+]ccn1CCCC[N@@H+]1CCC[C@@H]1C(=O)OC(C)(C)C ZINC000348269663 428686348 /nfs/dbraw/zinc/68/63/48/428686348.db2.gz VIQAAYCTPWFXIP-OAHLLOKOSA-N 2 1 307.438 2.778 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1[N@H+](C)CCCC1(C)C)c1ccccc1 ZINC000344673657 428691651 /nfs/dbraw/zinc/69/16/51/428691651.db2.gz LQTRZXMBVHPMJX-IAGOWNOFSA-N 2 1 317.477 2.526 20 0 DFADMP C[NH+](C)[C@@H](C(=O)NC[C@H]1[N@@H+](C)CCCC1(C)C)c1ccccc1 ZINC000344673657 428691653 /nfs/dbraw/zinc/69/16/53/428691653.db2.gz LQTRZXMBVHPMJX-IAGOWNOFSA-N 2 1 317.477 2.526 20 0 DFADMP COC(=O)[C@H]1CC[N@@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411177549 428754035 /nfs/dbraw/zinc/75/40/35/428754035.db2.gz HOVWZUCBKMEBCD-SFHVURJKSA-N 2 1 316.445 2.667 20 0 DFADMP C[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccccc1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000411185934 428754573 /nfs/dbraw/zinc/75/45/73/428754573.db2.gz OLBBKNCWSYEFGF-UIBIWLFHSA-N 2 1 317.477 2.667 20 0 DFADMP c1cc(C[NH+]2CCN(C3CC3)CC2)ccc1C[NH+]1CCCCC1 ZINC000411202582 428760143 /nfs/dbraw/zinc/76/01/43/428760143.db2.gz VMVSGGJGAILVNE-UHFFFAOYSA-N 2 1 313.489 2.953 20 0 DFADMP COc1cc(C)c(C[NH2+]C[C@H](C)Cn2cc[nH+]c2C)c(C)n1 ZINC000358987094 428760996 /nfs/dbraw/zinc/76/09/96/428760996.db2.gz WESYPMYCKYLDTH-LBPRGKRZSA-N 2 1 302.422 2.638 20 0 DFADMP CCCOC(=O)[C@@H](C)[N@@H+](C)CC1CCN(c2cc[nH+]cc2)CC1 ZINC000374842193 428762770 /nfs/dbraw/zinc/76/27/70/428762770.db2.gz SGJZSEYEPVESMJ-OAHLLOKOSA-N 2 1 319.449 2.572 20 0 DFADMP CCCNC(=O)CCC[N@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000411231596 428763901 /nfs/dbraw/zinc/76/39/01/428763901.db2.gz YIVBXRYSNJGXQR-SFHVURJKSA-N 2 1 323.525 2.881 20 0 DFADMP c1cc(CN2CC[N@H+]3CCC[C@H]3C2)cc(C[NH+]2CCCCC2)c1 ZINC000411253911 428767498 /nfs/dbraw/zinc/76/74/98/428767498.db2.gz HHATZUWPJCNCMT-FQEVSTJZSA-N 2 1 313.489 2.953 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH2+]CCc2ccc(OC)cc2OC)[C@H](C)C1 ZINC000345146528 428773504 /nfs/dbraw/zinc/77/35/04/428773504.db2.gz BDSZDYLCEDOTPA-RHSMWYFYSA-N 2 1 306.450 2.566 20 0 DFADMP c1[nH]nc2c1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411407930 428793312 /nfs/dbraw/zinc/79/33/12/428793312.db2.gz KVSZRKNYEORFHH-UHFFFAOYSA-N 2 1 310.445 2.954 20 0 DFADMP c1[nH]nc2c1C[N@@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411407930 428793317 /nfs/dbraw/zinc/79/33/17/428793317.db2.gz KVSZRKNYEORFHH-UHFFFAOYSA-N 2 1 310.445 2.954 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000353933829 428784778 /nfs/dbraw/zinc/78/47/78/428784778.db2.gz WMWSPQFCYCXPJF-BNQMIIOLSA-N 2 1 308.466 2.715 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+][C@H]2CC[N@H+]3CCCC[C@H]23)CC1 ZINC000353933829 428784780 /nfs/dbraw/zinc/78/47/80/428784780.db2.gz WMWSPQFCYCXPJF-BNQMIIOLSA-N 2 1 308.466 2.715 20 0 DFADMP C[C@@H]([NH2+]CCC1CC(O)C1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000348417458 428738628 /nfs/dbraw/zinc/73/86/28/428738628.db2.gz UNHDCQZJXOOJBQ-ZTRSQXPZSA-N 2 1 302.462 2.648 20 0 DFADMP COc1ncc([C@@H](C)[NH2+]C[C@@H]2CCc3[nH+]ccn3C2)cc1Cl ZINC000375302053 428847800 /nfs/dbraw/zinc/84/78/00/428847800.db2.gz JMOSNRFAQXFTTL-NEPJUHHUSA-N 2 1 320.824 2.853 20 0 DFADMP CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000362624089 428794491 /nfs/dbraw/zinc/79/44/91/428794491.db2.gz QXUIGHBQFVFYSC-WMZOPIPTSA-N 2 1 323.525 2.876 20 0 DFADMP C[C@@H]1CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411438920 428797335 /nfs/dbraw/zinc/79/73/35/428797335.db2.gz CYNYWVRFNRZODA-VQIMIIECSA-N 2 1 302.462 2.875 20 0 DFADMP C[N@@H+]1CCCC12CC[NH+](CCC(=O)Nc1cccc(F)c1)CC2 ZINC000411442002 428800417 /nfs/dbraw/zinc/80/04/17/428800417.db2.gz KCPLCBJWTWSKSV-UHFFFAOYSA-N 2 1 319.424 2.715 20 0 DFADMP C[N@H+]1CCCC12CC[NH+](CCC(=O)Nc1cccc(F)c1)CC2 ZINC000411442002 428800424 /nfs/dbraw/zinc/80/04/24/428800424.db2.gz KCPLCBJWTWSKSV-UHFFFAOYSA-N 2 1 319.424 2.715 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000353988860 428807734 /nfs/dbraw/zinc/80/77/34/428807734.db2.gz YHWMLOPSDHAVDZ-YESZJQIVSA-N 2 1 304.482 2.910 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@H]1CCC[C@H](c2ccnn2C)C1 ZINC000353988860 428807737 /nfs/dbraw/zinc/80/77/37/428807737.db2.gz YHWMLOPSDHAVDZ-YESZJQIVSA-N 2 1 304.482 2.910 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000362881683 428810396 /nfs/dbraw/zinc/81/03/96/428810396.db2.gz ZOJMNXIJTLDWHL-CRAIPNDOSA-N 2 1 306.425 2.585 20 0 DFADMP Cc1cc(F)ccc1[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000362881683 428810402 /nfs/dbraw/zinc/81/04/02/428810402.db2.gz ZOJMNXIJTLDWHL-CRAIPNDOSA-N 2 1 306.425 2.585 20 0 DFADMP FC(F)(F)CCN1CCC([NH2+]C2CC[NH+](C3CC3)CC2)CC1 ZINC000359101709 428816062 /nfs/dbraw/zinc/81/60/62/428816062.db2.gz DKNNZQLTKHZRLS-UHFFFAOYSA-N 3 1 319.415 2.620 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000411549584 428817531 /nfs/dbraw/zinc/81/75/31/428817531.db2.gz HNOOHYPIJBTSLG-OKZBNKHCSA-N 2 1 323.525 2.878 20 0 DFADMP Cc1csc(N2CCC([NH2+][C@@H]3CC[N@H+]4CCC[C@H]4C3)CC2)n1 ZINC000359116740 428824323 /nfs/dbraw/zinc/82/43/23/428824323.db2.gz QUWUUNZJOWZZEN-CVEARBPZSA-N 2 1 320.506 2.637 20 0 DFADMP CC1(C)C[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C[C@H]1O ZINC000411660871 428837167 /nfs/dbraw/zinc/83/71/67/428837167.db2.gz BANMIQZYHNOZER-GOSISDBHSA-N 2 1 302.462 2.875 20 0 DFADMP CCOc1cccc(C[N@@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000354052843 428840525 /nfs/dbraw/zinc/84/05/25/428840525.db2.gz IBBMVMXIXZMUCB-MRXNPFEDSA-N 2 1 300.406 2.650 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@@H]2Cn2cc[nH+]c2C)n1 ZINC000354052843 428840531 /nfs/dbraw/zinc/84/05/31/428840531.db2.gz IBBMVMXIXZMUCB-MRXNPFEDSA-N 2 1 300.406 2.650 20 0 DFADMP OC[C@@]1(F)CC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411704300 428844735 /nfs/dbraw/zinc/84/47/35/428844735.db2.gz TWVUILDUSUDXLX-GOSISDBHSA-N 2 1 306.425 2.579 20 0 DFADMP OC[C@@]1(F)CC[N@@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411704300 428844743 /nfs/dbraw/zinc/84/47/43/428844743.db2.gz TWVUILDUSUDXLX-GOSISDBHSA-N 2 1 306.425 2.579 20 0 DFADMP CCNC(=O)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C(C)C ZINC000354065899 428845132 /nfs/dbraw/zinc/84/51/32/428845132.db2.gz SRIUOTNCBUVVRY-CGTJXYLNSA-N 2 1 323.525 2.780 20 0 DFADMP Cc1cccc(C)c1NC(=O)C[N@@H+](C)CCC1CC[NH2+]CC1 ZINC000359191063 428859456 /nfs/dbraw/zinc/85/94/56/428859456.db2.gz OKJUDEOGRNKZOQ-UHFFFAOYSA-N 2 1 303.450 2.563 20 0 DFADMP CCN(C)c1ccc(C[N@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000348878002 428866605 /nfs/dbraw/zinc/86/66/05/428866605.db2.gz QCKGNMCPOXGODU-SJPCQFCGSA-N 2 1 302.466 2.595 20 0 DFADMP CCN(C)c1ccc(C[N@@H+](C)C2C[C@H]3CC[C@@H](C2)[NH+]3C)cn1 ZINC000348878002 428866610 /nfs/dbraw/zinc/86/66/10/428866610.db2.gz QCKGNMCPOXGODU-SJPCQFCGSA-N 2 1 302.466 2.595 20 0 DFADMP CCN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cn1 ZINC000348878002 428866613 /nfs/dbraw/zinc/86/66/13/428866613.db2.gz QCKGNMCPOXGODU-SJPCQFCGSA-N 2 1 302.466 2.595 20 0 DFADMP CCN(C)c1ccc(C[NH+](C)C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cn1 ZINC000348878002 428866620 /nfs/dbraw/zinc/86/66/20/428866620.db2.gz QCKGNMCPOXGODU-SJPCQFCGSA-N 2 1 302.466 2.595 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[Si](C)(C)C)CC2)nc(C)n1 ZINC000363135430 428866799 /nfs/dbraw/zinc/86/67/99/428866799.db2.gz UPIMSRFNMFHGFV-UHFFFAOYSA-N 2 1 306.530 2.871 20 0 DFADMP Cc1cc(N2CCC([N@H+](C)C[Si](C)(C)C)CC2)nc(C)[nH+]1 ZINC000363135430 428866804 /nfs/dbraw/zinc/86/68/04/428866804.db2.gz UPIMSRFNMFHGFV-UHFFFAOYSA-N 2 1 306.530 2.871 20 0 DFADMP Cc1cc(N2CCC([N@@H+](C)C[Si](C)(C)C)CC2)nc(C)[nH+]1 ZINC000363135430 428866811 /nfs/dbraw/zinc/86/68/11/428866811.db2.gz UPIMSRFNMFHGFV-UHFFFAOYSA-N 2 1 306.530 2.871 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+]CC2([NH+](C)C)CCCCC2)[C@H]1C ZINC000354164140 428894891 /nfs/dbraw/zinc/89/48/91/428894891.db2.gz OHFWLZWPRIOGDQ-JYJNAYRXSA-N 2 1 310.482 2.818 20 0 DFADMP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000349002765 428898030 /nfs/dbraw/zinc/89/80/30/428898030.db2.gz IZULGGRIGLVTJI-IPQPSQTFSA-N 2 1 300.446 2.543 20 0 DFADMP CN(CC[N@@H+](C)C[C@H]1C[C@H]1c1ccccc1)C1CC[NH+](C)CC1 ZINC000349034678 428905008 /nfs/dbraw/zinc/90/50/08/428905008.db2.gz FCOHKGKIJWVMFQ-QUCCMNQESA-N 2 1 315.505 2.748 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC(C)C)[NH+](CC)CC ZINC000349091624 428918736 /nfs/dbraw/zinc/91/87/36/428918736.db2.gz YSIVRRPROGTXKJ-IAGOWNOFSA-N 2 1 311.514 2.734 20 0 DFADMP Cc1nn(C)c(Cl)c1C[N@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000363459774 428920640 /nfs/dbraw/zinc/92/06/40/428920640.db2.gz RNRZKOALYZMGJR-AWEZNQCLSA-N 2 1 310.873 2.546 20 0 DFADMP C[C@@H](C[NH+]1CCCCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC000359329930 428922638 /nfs/dbraw/zinc/92/26/38/428922638.db2.gz MUIUBRDKSNKYOH-AWEZNQCLSA-N 2 1 323.506 2.804 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)N1CC[NH+](CC2CCCCC2)CC1 ZINC000349141978 428927648 /nfs/dbraw/zinc/92/76/48/428927648.db2.gz GOWOAJRCGJYMRA-SFHVURJKSA-N 2 1 321.509 2.585 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)NCCC2=CCCCC2)C[C@H]1C ZINC000354226401 428928152 /nfs/dbraw/zinc/92/81/52/428928152.db2.gz VZTGZGVLUAKXFN-AEFFLSMTSA-N 2 1 321.509 2.798 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)CC(=O)N(C)C2CCC(C)CC2)C[C@H]1C ZINC000354224922 428928270 /nfs/dbraw/zinc/92/82/70/428928270.db2.gz OWZZDQNQRVNIAM-FPQWYMTMSA-N 2 1 323.525 2.828 20 0 DFADMP C[NH+]1CCC([C@H]2CC[N@@H+](Cc3ccc([S@](C)=O)cc3)C2)CC1 ZINC000349178786 428933948 /nfs/dbraw/zinc/93/39/48/428933948.db2.gz BNWPZPDBLMWPMI-JTSKRJEESA-N 2 1 320.502 2.588 20 0 DFADMP CC1(C)[C@@H]([NH2+]C[C@@H]2CC[N@@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000375661060 428935062 /nfs/dbraw/zinc/93/50/62/428935062.db2.gz BBKUNBMCHOLJCA-VJANTYMQSA-N 2 1 314.473 2.912 20 0 DFADMP Fc1cc(C[NH2+][C@H]2CCc3[nH+]ccn3C2)ccc1Br ZINC000363544525 428937883 /nfs/dbraw/zinc/93/78/83/428937883.db2.gz KOLAUSFVLWKBJE-NSHDSACASA-N 2 1 324.197 2.889 20 0 DFADMP C[C@@H]1C[N@@H+](CC[C@@H]2CCCC[NH+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412068864 428939369 /nfs/dbraw/zinc/93/93/69/428939369.db2.gz GGGAPUNVUHHACC-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@@H+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412068864 428939373 /nfs/dbraw/zinc/93/93/73/428939373.db2.gz GGGAPUNVUHHACC-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP C[C@@H]1C[NH+](CC[C@@H]2CCCC[N@H+]2C)C[C@H]1C(=O)OC(C)(C)C ZINC000412068864 428939378 /nfs/dbraw/zinc/93/93/78/428939378.db2.gz GGGAPUNVUHHACC-OWCLPIDISA-N 2 1 310.482 2.770 20 0 DFADMP CC(C)COCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000363567348 428944613 /nfs/dbraw/zinc/94/46/13/428944613.db2.gz YSISQPZJADWCQE-RCCFBDPRSA-N 2 1 312.498 2.528 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC000354273314 428948842 /nfs/dbraw/zinc/94/88/42/428948842.db2.gz KZVWYBXFWNHOQI-MSOLQXFVSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC000354273314 428948850 /nfs/dbraw/zinc/94/88/50/428948850.db2.gz KZVWYBXFWNHOQI-MSOLQXFVSA-N 2 1 321.509 2.632 20 0 DFADMP C[NH+]1CCCC[C@H]1CCC(=O)N[C@@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000354273314 428948858 /nfs/dbraw/zinc/94/88/58/428948858.db2.gz KZVWYBXFWNHOQI-MSOLQXFVSA-N 2 1 321.509 2.632 20 0 DFADMP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2nccs2)CC1 ZINC000363617082 428954441 /nfs/dbraw/zinc/95/44/41/428954441.db2.gz KXPNPMDJRHIADG-OAHLLOKOSA-N 2 1 308.495 2.530 20 0 DFADMP C[N@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2nccs2)CC1 ZINC000363617082 428954446 /nfs/dbraw/zinc/95/44/46/428954446.db2.gz KXPNPMDJRHIADG-OAHLLOKOSA-N 2 1 308.495 2.530 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@@H+]1CCCN(c2nccs2)CC1 ZINC000363617082 428954452 /nfs/dbraw/zinc/95/44/52/428954452.db2.gz KXPNPMDJRHIADG-OAHLLOKOSA-N 2 1 308.495 2.530 20 0 DFADMP C[NH+]1CCCC[C@@H]1CC[N@H+]1CCCN(c2nccs2)CC1 ZINC000363617082 428954459 /nfs/dbraw/zinc/95/44/59/428954459.db2.gz KXPNPMDJRHIADG-OAHLLOKOSA-N 2 1 308.495 2.530 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]2[C@H]2CCC[N@@H+]2C)c1C ZINC000363632979 428958536 /nfs/dbraw/zinc/95/85/36/428958536.db2.gz LYBVKLDQDFIQJK-IAGOWNOFSA-N 2 1 303.450 2.766 20 0 DFADMP COc1c(C)c[nH+]c(CN2CCC[C@@H]2[C@H]2CCC[N@H+]2C)c1C ZINC000363632979 428958541 /nfs/dbraw/zinc/95/85/41/428958541.db2.gz LYBVKLDQDFIQJK-IAGOWNOFSA-N 2 1 303.450 2.766 20 0 DFADMP CCOC(=O)CCC[NH+]1CCC(Nc2cccc(C)[nH+]2)CC1 ZINC000363638282 428960086 /nfs/dbraw/zinc/96/00/86/428960086.db2.gz QTDQFPHCPYQJRV-UHFFFAOYSA-N 2 1 305.422 2.610 20 0 DFADMP Cc1ccsc1C[N@H+]1CCN(C2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000349325221 428962003 /nfs/dbraw/zinc/96/20/03/428962003.db2.gz CMLKGTWGZIXZHV-HNNXBMFYSA-N 2 1 307.507 2.657 20 0 DFADMP c1ccc(C[N@@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CCCC[NH2+]C2)C3)cc1 ZINC000423556137 428970420 /nfs/dbraw/zinc/97/04/20/428970420.db2.gz MMZHBQPDIQMRMM-HAGHYFMRSA-N 3 1 313.489 2.914 20 0 DFADMP C[C@H](C[NH2+]Cc1ccc(-c2cc[nH]n2)o1)C[NH+]1CCCCC1 ZINC000433311832 429023448 /nfs/dbraw/zinc/02/34/48/429023448.db2.gz OACTYSHQEGSXPK-CQSZACIVSA-N 2 1 302.422 2.881 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H]1CNC(=O)CC1(C[NH3+])CCCCC1 ZINC000423801119 429025246 /nfs/dbraw/zinc/02/52/46/429025246.db2.gz MRGFYDMTZSZFAZ-MRXNPFEDSA-N 2 1 309.498 2.522 20 0 DFADMP Clc1cc2c(c(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)c1)OCC2 ZINC000375950375 429025501 /nfs/dbraw/zinc/02/55/01/429025501.db2.gz WYMHIFZTXLTZMU-LBPRGKRZSA-N 2 1 317.820 2.824 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000423817261 429028289 /nfs/dbraw/zinc/02/82/89/429028289.db2.gz BJFSIZQIUKFOOF-HKUYNNGSSA-N 2 1 317.477 2.627 20 0 DFADMP CCC[C@](C)([NH3+])C(=O)N1CC[N@@H+](Cc2ccccc2)[C@@H](CC)C1 ZINC000423817261 429028294 /nfs/dbraw/zinc/02/82/94/429028294.db2.gz BJFSIZQIUKFOOF-HKUYNNGSSA-N 2 1 317.477 2.627 20 0 DFADMP Cc1cc(F)ccc1[C@H]1CCCN1C[C@H](O)C[N@H+](C)C1CC1 ZINC000451987076 429033397 /nfs/dbraw/zinc/03/33/97/429033397.db2.gz JGNGFUVMVTWKHQ-SJLPKXTDSA-N 2 1 306.425 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@H]1CCC[N@H+]1C[C@H](O)CN(C)C1CC1 ZINC000451987076 429033400 /nfs/dbraw/zinc/03/34/00/429033400.db2.gz JGNGFUVMVTWKHQ-SJLPKXTDSA-N 2 1 306.425 2.726 20 0 DFADMP Cc1cc(F)ccc1[C@H]1CCC[N@@H+]1C[C@H](O)CN(C)C1CC1 ZINC000451987076 429033405 /nfs/dbraw/zinc/03/34/05/429033405.db2.gz JGNGFUVMVTWKHQ-SJLPKXTDSA-N 2 1 306.425 2.726 20 0 DFADMP C[C@@H]1C[C@H]([N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000420958686 428973107 /nfs/dbraw/zinc/97/31/07/428973107.db2.gz FCJBTYHYAULWSD-OQIJWPOYSA-N 2 1 300.446 2.618 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000420958686 428973113 /nfs/dbraw/zinc/97/31/13/428973113.db2.gz FCJBTYHYAULWSD-OQIJWPOYSA-N 2 1 300.446 2.618 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C2)CCO1 ZINC000420958686 428973117 /nfs/dbraw/zinc/97/31/17/428973117.db2.gz FCJBTYHYAULWSD-OQIJWPOYSA-N 2 1 300.446 2.618 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000375792255 428973892 /nfs/dbraw/zinc/97/38/92/428973892.db2.gz PZQIHUYEQRZUKE-SLFFLAALSA-N 2 1 324.472 2.894 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(Cc3ccccc3)n2)[C@@H]2CCC[C@H]21 ZINC000375792255 428973899 /nfs/dbraw/zinc/97/38/99/428973899.db2.gz PZQIHUYEQRZUKE-SLFFLAALSA-N 2 1 324.472 2.894 20 0 DFADMP CCOC[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](CCOC(C)C)CC1 ZINC000354421676 428980974 /nfs/dbraw/zinc/98/09/74/428980974.db2.gz RZWIWMROUYFVQJ-SJLPKXTDSA-N 2 1 312.498 2.671 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)[N@H+]1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375814884 428984449 /nfs/dbraw/zinc/98/44/49/428984449.db2.gz NSRGTMWXBZBHMA-JYJNAYRXSA-N 2 1 320.481 2.947 20 0 DFADMP CC[C@H](C)NC(=O)[C@H](C)N1CCC[C@H](n2ccnc2C(C)C)C1 ZINC000375814884 428984453 /nfs/dbraw/zinc/98/44/53/428984453.db2.gz NSRGTMWXBZBHMA-JYJNAYRXSA-N 2 1 320.481 2.947 20 0 DFADMP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccccc2F)CC1 ZINC000375837248 428990148 /nfs/dbraw/zinc/99/01/48/428990148.db2.gz GBYCKWVQVKCAOT-MRXNPFEDSA-N 2 1 305.441 2.822 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1CCCN(c2ccccc2F)CC1 ZINC000375837248 428990154 /nfs/dbraw/zinc/99/01/54/428990154.db2.gz GBYCKWVQVKCAOT-MRXNPFEDSA-N 2 1 305.441 2.822 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1CCCN(c2ccccc2F)CC1 ZINC000375837248 428990159 /nfs/dbraw/zinc/99/01/59/428990159.db2.gz GBYCKWVQVKCAOT-MRXNPFEDSA-N 2 1 305.441 2.822 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1CCCN(c2ccccc2F)CC1 ZINC000375837248 428990164 /nfs/dbraw/zinc/99/01/64/428990164.db2.gz GBYCKWVQVKCAOT-MRXNPFEDSA-N 2 1 305.441 2.822 20 0 DFADMP CON1CCC([NH2+]CC(C)(C)C[N@@H+](C)Cc2ccccc2)CC1 ZINC000421398219 428992981 /nfs/dbraw/zinc/99/29/81/428992981.db2.gz NUSKOVAUTWBLEW-UHFFFAOYSA-N 2 1 319.493 2.760 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[NH+](CC[C@H]3CCCC[N@@H+]3C)C2)c1 ZINC000375868827 429001064 /nfs/dbraw/zinc/00/10/64/429001064.db2.gz HAIWKCDTHTUCSA-ZWKOTPCHSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000375868827 429001071 /nfs/dbraw/zinc/00/10/71/429001071.db2.gz HAIWKCDTHTUCSA-ZWKOTPCHSA-N 2 1 316.493 2.998 20 0 DFADMP Cc1ccnc(NC[C@@H]2CC[N@H+](CC[C@H]3CCCC[NH+]3C)C2)c1 ZINC000375868827 429001079 /nfs/dbraw/zinc/00/10/79/429001079.db2.gz HAIWKCDTHTUCSA-ZWKOTPCHSA-N 2 1 316.493 2.998 20 0 DFADMP C[C@@H]1CC[C@H](C)[N@@H+]1[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]CC2)C1 ZINC000423724610 429003914 /nfs/dbraw/zinc/00/39/14/429003914.db2.gz HBPZGBHROYGWHL-XWTMOSNGSA-N 2 1 321.509 2.630 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000375892376 429007592 /nfs/dbraw/zinc/00/75/92/429007592.db2.gz YNGJFJLMGHNHQG-UBHSHLNASA-N 2 1 308.447 2.812 20 0 DFADMP COC(=O)c1csc([C@H](C)[NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)c1 ZINC000375892376 429007596 /nfs/dbraw/zinc/00/75/96/429007596.db2.gz YNGJFJLMGHNHQG-UBHSHLNASA-N 2 1 308.447 2.812 20 0 DFADMP Cc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C(C)C)CC2)C1 ZINC000375891532 429007772 /nfs/dbraw/zinc/00/77/72/429007772.db2.gz RFICSMWGBJUHRA-IBGZPJMESA-N 2 1 301.478 2.595 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(C(=O)c2ccc([C@@H](C)[NH3+])cc2)C1 ZINC000423446154 429089078 /nfs/dbraw/zinc/08/90/78/429089078.db2.gz SNSXDXSYYWFNBX-CABCVRRESA-N 2 1 303.450 2.510 20 0 DFADMP C[C@@H]([NH3+])[C@@H](C)[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423450431 429089878 /nfs/dbraw/zinc/08/98/78/429089878.db2.gz SXIQKMLQLLGRPY-BBBLOLIVSA-N 2 1 318.202 2.678 20 0 DFADMP CN(Cc1cccnc1)C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000434499351 429091690 /nfs/dbraw/zinc/09/16/90/429091690.db2.gz YAGRMQUDUNMJSO-RBUKOAKNSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000434499351 429091694 /nfs/dbraw/zinc/09/16/94/429091694.db2.gz YAGRMQUDUNMJSO-RBUKOAKNSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@@H]1CC[NH+](CC[C@H]2CCCCO2)C1 ZINC000434499351 429091698 /nfs/dbraw/zinc/09/16/98/429091698.db2.gz YAGRMQUDUNMJSO-RBUKOAKNSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@H+](CC[C@H]2CCCCO2)C1 ZINC000434499351 429091703 /nfs/dbraw/zinc/09/17/03/429091703.db2.gz YAGRMQUDUNMJSO-RBUKOAKNSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@@H]1CC[N@@H+](CC[C@H]2CCCCO2)C1 ZINC000434499351 429091706 /nfs/dbraw/zinc/09/17/06/429091706.db2.gz YAGRMQUDUNMJSO-RBUKOAKNSA-N 2 1 317.477 2.795 20 0 DFADMP CC[C@@H]([NH3+])C[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000423469289 429092718 /nfs/dbraw/zinc/09/27/18/429092718.db2.gz OTVDVGBLEYJNJB-JOYOIKCWSA-N 2 1 318.202 2.679 20 0 DFADMP Cc1c([C@H](C)[NH2+]C[C@H]2CC[NH2+]CC2(F)F)cnn1C(C)C ZINC000423473023 429092952 /nfs/dbraw/zinc/09/29/52/429092952.db2.gz IHDCEXAZASUSJM-WCQYABFASA-N 2 1 300.397 2.668 20 0 DFADMP C[N@@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000434503829 429093271 /nfs/dbraw/zinc/09/32/71/429093271.db2.gz QRSFUJYLYYWMMM-HXUWFJFHSA-N 2 1 324.472 2.863 20 0 DFADMP C[N@H+](Cc1cccnc1)C[C@H]1CC[NH+](CCCc2ccncc2)C1 ZINC000434503829 429093275 /nfs/dbraw/zinc/09/32/75/429093275.db2.gz QRSFUJYLYYWMMM-HXUWFJFHSA-N 2 1 324.472 2.863 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@H+](CCCc2ccncc2)C1 ZINC000434503829 429093278 /nfs/dbraw/zinc/09/32/78/429093278.db2.gz QRSFUJYLYYWMMM-HXUWFJFHSA-N 2 1 324.472 2.863 20 0 DFADMP C[NH+](Cc1cccnc1)C[C@H]1CC[N@@H+](CCCc2ccncc2)C1 ZINC000434503829 429093282 /nfs/dbraw/zinc/09/32/82/429093282.db2.gz QRSFUJYLYYWMMM-HXUWFJFHSA-N 2 1 324.472 2.863 20 0 DFADMP CC[C@H]([NH3+])C[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423477360 429094632 /nfs/dbraw/zinc/09/46/32/429094632.db2.gz TVDCUVVKGLKICV-TVQRCGJNSA-N 2 1 301.203 2.902 20 0 DFADMP Fc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CC[NH2+]CC1(F)F)CCCO2 ZINC000423481206 429095788 /nfs/dbraw/zinc/09/57/88/429095788.db2.gz QBMSBJJLOFDMSD-BXUZGUMPSA-N 2 1 314.351 2.874 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452008190 429037241 /nfs/dbraw/zinc/03/72/41/429037241.db2.gz SHXQDQUQGYTWQC-QZTJIDSGSA-N 2 1 318.461 2.607 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1C[C@@H](C(=O)OC)[C@@H](c2ccccc2)C1 ZINC000452008190 429037243 /nfs/dbraw/zinc/03/72/43/429037243.db2.gz SHXQDQUQGYTWQC-QZTJIDSGSA-N 2 1 318.461 2.607 20 0 DFADMP CCCCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[NH2+]CC2(F)F)C1(C)C ZINC000423481109 429096574 /nfs/dbraw/zinc/09/65/74/429096574.db2.gz PSQUOBBOIBSIOW-MGPQQGTHSA-N 2 1 304.425 2.805 20 0 DFADMP [NH3+]C[C@@H]([NH2+][C@H]1CCc2c1ccc(F)c2Br)C1CC1 ZINC000423280858 429055492 /nfs/dbraw/zinc/05/54/92/429055492.db2.gz SXVNPYFUYSJVOL-QWHCGFSZSA-N 2 1 313.214 2.902 20 0 DFADMP C[NH2+]C[C@H](C)C[NH2+]C1CCC([N@@H+](C)Cc2ccccc2)CC1 ZINC000423278203 429055547 /nfs/dbraw/zinc/05/55/47/429055547.db2.gz QTUKYKZFNPBDBE-IVMQYODDSA-N 3 1 303.494 2.875 20 0 DFADMP CC(C)([NH3+])CN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423289199 429058371 /nfs/dbraw/zinc/05/83/71/429058371.db2.gz WLCGUOYDNOWAME-OKZBNKHCSA-N 3 1 301.478 2.614 20 0 DFADMP CCCC[C@H](C[NH3+])[NH2+][C@H](C)CC(=O)Nc1ccccc1OC ZINC000423303976 429060388 /nfs/dbraw/zinc/06/03/88/429060388.db2.gz XVQCFHJQFYRSRL-ZIAGYGMSSA-N 2 1 307.438 2.519 20 0 DFADMP C[C@H](C[NH3+])CN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423310605 429060529 /nfs/dbraw/zinc/06/05/29/429060529.db2.gz SBVHDTIWHZXPRN-NXWXRZEISA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423310605 429060534 /nfs/dbraw/zinc/06/05/34/429060534.db2.gz SBVHDTIWHZXPRN-NXWXRZEISA-N 3 1 301.478 2.614 20 0 DFADMP C[C@H](C[NH3+])C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423310605 429060537 /nfs/dbraw/zinc/06/05/37/429060537.db2.gz SBVHDTIWHZXPRN-NXWXRZEISA-N 3 1 301.478 2.614 20 0 DFADMP CCC[NH2+]CCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000423319329 429061884 /nfs/dbraw/zinc/06/18/84/429061884.db2.gz ZWAMQDANVNDTCM-SLFFLAALSA-N 2 1 315.505 2.876 20 0 DFADMP COc1ccc([C@H]2CC[NH2+]C[C@H]2[NH2+]C2CCC(OC)CC2)cc1 ZINC000423327214 429065299 /nfs/dbraw/zinc/06/52/99/429065299.db2.gz JTEFFOITPGDRIP-JDGDGYACSA-N 2 1 318.461 2.688 20 0 DFADMP C[C@H](CNC(=O)c1ccc([C@H](C)[NH3+])cc1)[N@H+]1CCCC[C@@H]1C ZINC000423335070 429067287 /nfs/dbraw/zinc/06/72/87/429067287.db2.gz TXRUFKSOQUDGII-ZNMIVQPWSA-N 2 1 303.450 2.699 20 0 DFADMP COc1ccc([C@H](C)[NH2+]CC2([NH3+])CCC2)cc1Br ZINC000423343226 429069129 /nfs/dbraw/zinc/06/91/29/429069129.db2.gz ZQIRUSJUSKFLPW-JTQLQIEISA-N 2 1 313.239 2.990 20 0 DFADMP C[C@H]([NH3+])c1ccc(C(=O)N2CCC[N@H+](C3CCCC3)CC2)cc1 ZINC000423362493 429072743 /nfs/dbraw/zinc/07/27/43/429072743.db2.gz IDHPOCGGVSDXRC-HNNXBMFYSA-N 2 1 315.461 2.797 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423364672 429073736 /nfs/dbraw/zinc/07/37/36/429073736.db2.gz CRXQRPNIGBONIC-XIKSMUEASA-N 2 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423364672 429073737 /nfs/dbraw/zinc/07/37/37/429073737.db2.gz CRXQRPNIGBONIC-XIKSMUEASA-N 3 1 313.489 2.770 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1 ZINC000423364672 429073742 /nfs/dbraw/zinc/07/37/42/429073742.db2.gz CRXQRPNIGBONIC-XIKSMUEASA-N 3 1 313.489 2.770 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[C@@H]([NH3+])c1ccccc1 ZINC000423364239 429075263 /nfs/dbraw/zinc/07/52/63/429075263.db2.gz AXLNUHTWPPSQEM-SJORKVTESA-N 2 1 317.477 2.703 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)C[NH3+])c1cccc(OCc2cn3ccccc3n2)c1 ZINC000423376360 429077064 /nfs/dbraw/zinc/07/70/64/429077064.db2.gz VGNDRAPNITXKKE-LSDHHAIUSA-N 2 1 324.428 2.911 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2[C@H]3C[NH2+]C[C@H]32)c2cccc(Br)c21 ZINC000423433108 429087872 /nfs/dbraw/zinc/08/78/72/429087872.db2.gz MVZWLXAPXSJOLJ-NZPXZISSSA-N 2 1 307.235 2.805 20 0 DFADMP CC[C@H]([NH2+][C@@H]1[C@H]2C[NH2+]C[C@H]21)c1cc(F)cc(Br)c1 ZINC000423437022 429087961 /nfs/dbraw/zinc/08/79/61/429087961.db2.gz QFSULKNFCRHNFT-RFQIPJPRSA-N 2 1 313.214 2.847 20 0 DFADMP CC(C)[N@@H+](C)CCC[NH2+][C@H]1CCC[C@H]1NC(=O)OC(C)(C)C ZINC000494695856 429145446 /nfs/dbraw/zinc/14/54/46/429145446.db2.gz YOWXLGAMUFXRSD-LSDHHAIUSA-N 2 1 313.486 2.752 20 0 DFADMP CC[N@@H+](CCOCCOc1ccccc1)[C@@H]1CCC[NH2+]CC1 ZINC000435627402 429155389 /nfs/dbraw/zinc/15/53/89/429155389.db2.gz NIAWMOQSCYSURK-QGZVFWFLSA-N 2 1 306.450 2.546 20 0 DFADMP CC[N@@H+](CCc1nc2ccccc2n1C)[C@H]1CCC[NH2+]CC1 ZINC000435628078 429156221 /nfs/dbraw/zinc/15/62/21/429156221.db2.gz UAZXQEAWZTVHOV-HNNXBMFYSA-N 2 1 300.450 2.580 20 0 DFADMP COCCc1nc(C)c([C@@H](C)[NH2+][C@@H](C[NH3+])C2CCCC2)s1 ZINC000423497333 429099677 /nfs/dbraw/zinc/09/96/77/429099677.db2.gz GNTQTOWPAKXKTK-RISCZKNCSA-N 2 1 311.495 2.809 20 0 DFADMP C[C@@H]1CN([C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505580 429100740 /nfs/dbraw/zinc/10/07/40/429100740.db2.gz HEENHOVCFVAKTQ-KVPLUYHFSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@@H+]([C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505580 429100745 /nfs/dbraw/zinc/10/07/45/429100745.db2.gz HEENHOVCFVAKTQ-KVPLUYHFSA-N 2 1 315.505 2.814 20 0 DFADMP C[C@@H]1C[N@H+]([C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C[C@@]1(C)C[NH3+] ZINC000423505580 429100749 /nfs/dbraw/zinc/10/07/49/429100749.db2.gz HEENHOVCFVAKTQ-KVPLUYHFSA-N 2 1 315.505 2.814 20 0 DFADMP COc1ccc([C@@H](C)[N@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)cc1NC(C)=O ZINC000423503860 429101213 /nfs/dbraw/zinc/10/12/13/429101213.db2.gz FIJDARSGXUZTFB-SNUQEOBHSA-N 2 1 319.449 2.631 20 0 DFADMP C[N@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C[C@H]2CCCOC2)CC1 ZINC000434643767 429102150 /nfs/dbraw/zinc/10/21/50/429102150.db2.gz DCFQIVGSGASLCJ-IEBWSBKVSA-N 2 1 317.477 2.795 20 0 DFADMP C[N@@H+](Cc1ccccn1)[C@@H]1CCC[NH+](C[C@H]2CCCOC2)CC1 ZINC000434643767 429102154 /nfs/dbraw/zinc/10/21/54/429102154.db2.gz DCFQIVGSGASLCJ-IEBWSBKVSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@H+](C[C@H]2CCCOC2)CC1 ZINC000434643767 429102157 /nfs/dbraw/zinc/10/21/57/429102157.db2.gz DCFQIVGSGASLCJ-IEBWSBKVSA-N 2 1 317.477 2.795 20 0 DFADMP C[NH+](Cc1ccccn1)[C@@H]1CCC[N@@H+](C[C@H]2CCCOC2)CC1 ZINC000434643767 429102161 /nfs/dbraw/zinc/10/21/61/429102161.db2.gz DCFQIVGSGASLCJ-IEBWSBKVSA-N 2 1 317.477 2.795 20 0 DFADMP CC(C)n1cncc1C[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000424163120 429103122 /nfs/dbraw/zinc/10/31/22/429103122.db2.gz XOOYHTBFQJUPBZ-UHFFFAOYSA-N 2 1 316.449 2.694 20 0 DFADMP CC(C)[C@@H](CCc1ccc(Cl)cc1)[NH2+]C[C@@H]1C[NH2+]CCN1C ZINC000423510303 429103559 /nfs/dbraw/zinc/10/35/59/429103559.db2.gz JMWHUCHDNGBDKN-ZWKOTPCHSA-N 2 1 323.912 2.790 20 0 DFADMP C[C@@H]1C[N@@H+](C)CC[C@@H]1N(C)C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000424181395 429106536 /nfs/dbraw/zinc/10/65/36/429106536.db2.gz RBXUDRPQBXXANG-NJAFHUGGSA-N 2 1 323.525 2.863 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH+]2CCC(c3[nH+]cc4n3CCCC4)CC2)O1 ZINC000434692329 429106991 /nfs/dbraw/zinc/10/69/91/429106991.db2.gz XDTGJCZYWVRBIV-PBHICJAKSA-N 2 1 303.450 2.966 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)c(C)c1 ZINC000424284188 429119389 /nfs/dbraw/zinc/11/93/89/429119389.db2.gz CZNZSAJTPPKMMI-MRXNPFEDSA-N 2 1 315.461 2.706 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-n3cccn3)cc1)CC[NH2+]CC2 ZINC000424287531 429119608 /nfs/dbraw/zinc/11/96/08/429119608.db2.gz IXURALVQKRJFFZ-MRXNPFEDSA-N 2 1 310.445 2.836 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cc(-c3ccco3)on1)CC[NH2+]CC2 ZINC000424292015 429121232 /nfs/dbraw/zinc/12/12/32/429121232.db2.gz NXHPFSDWFAKLEI-ZDUSSCGKSA-N 2 1 301.390 2.899 20 0 DFADMP C[C@@H]1CC2(C[N@H+]1Cc1ccc(-n3ccnc3)cc1)CC[NH2+]CC2 ZINC000424298342 429122244 /nfs/dbraw/zinc/12/22/44/429122244.db2.gz ULQJBCMSAJTGPX-MRXNPFEDSA-N 2 1 310.445 2.836 20 0 DFADMP COC(=O)c1cc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)c(C)s1 ZINC000424301156 429123656 /nfs/dbraw/zinc/12/36/56/429123656.db2.gz XGACKCPCGKJZMK-LBPRGKRZSA-N 2 1 322.474 2.807 20 0 DFADMP [NH3+][C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(F)c(Br)c1 ZINC000424333698 429128692 /nfs/dbraw/zinc/12/86/92/429128692.db2.gz MLMJVTYPUNCKNA-CHWSQXEVSA-N 2 1 301.203 2.948 20 0 DFADMP C[C@@H](N[C@@H]1CCCC[C@H]1[NH3+])[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000424378162 429131803 /nfs/dbraw/zinc/13/18/03/429131803.db2.gz SJHUJGBQTFCHOG-QXCFHYIPSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@H]1C[C@@H](C[N@H+]2C[C@@H]3CCN(Cc4ccccc4)[C@@H]3C2)CC[NH2+]1 ZINC000424363323 429132256 /nfs/dbraw/zinc/13/22/56/429132256.db2.gz BQKUPJSAGDMYNB-FRYIKTPZSA-N 2 1 313.489 2.581 20 0 DFADMP C[C@H]1CC2(C[N@H+]1Cc1cc(-n3ccnc3)cs1)CC[NH2+]CC2 ZINC000424380069 429133960 /nfs/dbraw/zinc/13/39/60/429133960.db2.gz PGPAQKTWJZMBCE-AWEZNQCLSA-N 2 1 316.474 2.898 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@H+](C)C1CC[NH2+]CC1 ZINC000435375720 429135445 /nfs/dbraw/zinc/13/54/45/429135445.db2.gz NZIYSKZSUQLJSF-UHFFFAOYSA-N 2 1 311.429 2.941 20 0 DFADMP COc1ccc(-c2ccncc2)cc1C[N@@H+](C)C1CC[NH2+]CC1 ZINC000435375720 429135450 /nfs/dbraw/zinc/13/54/50/429135450.db2.gz NZIYSKZSUQLJSF-UHFFFAOYSA-N 2 1 311.429 2.941 20 0 DFADMP CC(C)(C)c1nn(-c2ccccc2)cc1C[N@H+]1CC[C@H](C[NH3+])C1 ZINC000435393102 429140467 /nfs/dbraw/zinc/14/04/67/429140467.db2.gz YXRFHYYXFRCTPK-OAHLLOKOSA-N 2 1 312.461 2.950 20 0 DFADMP COc1cc2c(c(C[N@H+](C)[C@@H]3CCC[NH2+]CC3)c1)O[C@H](C)C2 ZINC000435447519 429141561 /nfs/dbraw/zinc/14/15/61/429141561.db2.gz PWHMZGOMNWLFRG-CZUORRHYSA-N 2 1 304.434 2.593 20 0 DFADMP COc1cc2c(c(C[N@@H+](C)[C@@H]3CCC[NH2+]CC3)c1)O[C@H](C)C2 ZINC000435447519 429141567 /nfs/dbraw/zinc/14/15/67/429141567.db2.gz PWHMZGOMNWLFRG-CZUORRHYSA-N 2 1 304.434 2.593 20 0 DFADMP Cc1ccccc1C[N@@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428338 429142412 /nfs/dbraw/zinc/14/24/12/429142412.db2.gz RSGUCPBNAZPURX-GOSISDBHSA-N 2 1 324.472 2.873 20 0 DFADMP Cc1ccccc1C[N@H+](Cc1nccn1C)[C@@H]1CC12CC[NH2+]CC2 ZINC000435428338 429142413 /nfs/dbraw/zinc/14/24/13/429142413.db2.gz RSGUCPBNAZPURX-GOSISDBHSA-N 2 1 324.472 2.873 20 0 DFADMP Cc1cc(C[NH3+])cc(NC(=O)N[C@H](C)C[N@H+]2CCC[C@H](C)C2)c1 ZINC000424448462 429142602 /nfs/dbraw/zinc/14/26/02/429142602.db2.gz XZTWFNGIZFTVMP-DZGCQCFKSA-N 2 1 318.465 2.696 20 0 DFADMP CC[NH+](CC)CCCCNC(=O)[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000487618622 429161957 /nfs/dbraw/zinc/16/19/57/429161957.db2.gz PBCMYLABPDSFIQ-QGZVFWFLSA-N 2 1 323.525 2.879 20 0 DFADMP CC(C)[C@@H](C[NH2+][C@@H]1CCC(=O)NC1(C)C)[NH+]1CCCCCC1 ZINC000494924680 429164542 /nfs/dbraw/zinc/16/45/42/429164542.db2.gz QYGMSCHCUKSUOO-HZPDHXFCSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCN(C)CC3)cc2)[C@H]1C ZINC000494927289 429165210 /nfs/dbraw/zinc/16/52/10/429165210.db2.gz ZUMFJPZYCBXBFL-JTDSTZFVSA-N 2 1 301.478 2.568 20 0 DFADMP CCC[N@@H+](CCC[NH2+]C)C1CCN(C(=O)c2ccccc2)CC1 ZINC000435869154 429168403 /nfs/dbraw/zinc/16/84/03/429168403.db2.gz BAKOAHOELLUUOD-UHFFFAOYSA-N 2 1 317.477 2.613 20 0 DFADMP Brc1c[nH+]ccc1N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000364170745 429173041 /nfs/dbraw/zinc/17/30/41/429173041.db2.gz GTYHODXKKDPDQT-LBPRGKRZSA-N 2 1 310.239 2.909 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000495034478 429173711 /nfs/dbraw/zinc/17/37/11/429173711.db2.gz CRWOOBAOIITFHM-HUUCEWRRSA-N 2 1 309.498 2.534 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000495034478 429173713 /nfs/dbraw/zinc/17/37/13/429173713.db2.gz CRWOOBAOIITFHM-HUUCEWRRSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@H](Cc1ccccc1)C[NH+]1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364330102 429182547 /nfs/dbraw/zinc/18/25/47/429182547.db2.gz UFQMNXWGJFTQKN-UYAOXDASSA-N 2 1 315.505 2.577 20 0 DFADMP CCNC(=O)OC[C@@H]1CCCC[N@@H+]1CCCCn1cc[nH+]c1C ZINC000495679705 429243572 /nfs/dbraw/zinc/24/35/72/429243572.db2.gz MSEWFMNLXIFRCF-INIZCTEOSA-N 2 1 322.453 2.572 20 0 DFADMP CCNC(=O)OC[C@@H]1CCCC[N@H+]1CCCCn1cc[nH+]c1C ZINC000495679705 429243575 /nfs/dbraw/zinc/24/35/75/429243575.db2.gz MSEWFMNLXIFRCF-INIZCTEOSA-N 2 1 322.453 2.572 20 0 DFADMP CCCCNC(=O)OC[C@H]1CCCC[N@H+]1CCCn1ccnc1 ZINC000495748734 429257844 /nfs/dbraw/zinc/25/78/44/429257844.db2.gz UJWDGQLDRSHYPF-MRXNPFEDSA-N 2 1 322.453 2.654 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccccc1C[N@H+]1CCC[C@H]1CO ZINC000425343018 429269448 /nfs/dbraw/zinc/26/94/48/429269448.db2.gz HWJAWZXYFZDLJU-RCCFBDPRSA-N 2 1 320.502 2.627 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@@H+]2CCO[C@@H](C)C2)c1 ZINC000425361207 429278767 /nfs/dbraw/zinc/27/87/67/429278767.db2.gz TYWQGCAVFSPSAV-BMGDILEWSA-N 2 1 320.502 2.891 20 0 DFADMP CS[C@@H]1CC[C@H]1[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1 ZINC000425361207 429278773 /nfs/dbraw/zinc/27/87/73/429278773.db2.gz TYWQGCAVFSPSAV-BMGDILEWSA-N 2 1 320.502 2.891 20 0 DFADMP CS[C@H]1CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCOCC1 ZINC000425363718 429279013 /nfs/dbraw/zinc/27/90/13/429279013.db2.gz XSYASJVIPKAKFU-IRXDYDNUSA-N 2 1 306.475 2.502 20 0 DFADMP C[N@H+](C[C@@H](O)C[NH+]1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542737 429318674 /nfs/dbraw/zinc/31/86/74/429318674.db2.gz OSLHHKGHTSGQKN-MSOLQXFVSA-N 2 1 302.462 2.915 20 0 DFADMP C[N@@H+](C[C@@H](O)C[NH+]1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542737 429318678 /nfs/dbraw/zinc/31/86/78/429318678.db2.gz OSLHHKGHTSGQKN-MSOLQXFVSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C[C@@H](O)C[N@@H+]1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542737 429318680 /nfs/dbraw/zinc/31/86/80/429318680.db2.gz OSLHHKGHTSGQKN-MSOLQXFVSA-N 2 1 302.462 2.915 20 0 DFADMP C[NH+](C[C@@H](O)C[N@H+]1CC(C)(C)C[C@H]1c1ccccc1)C1CC1 ZINC000425542737 429318681 /nfs/dbraw/zinc/31/86/81/429318681.db2.gz OSLHHKGHTSGQKN-MSOLQXFVSA-N 2 1 302.462 2.915 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]CCc2cccc(C)c2)CC1 ZINC000449074042 429325969 /nfs/dbraw/zinc/32/59/69/429325969.db2.gz BDYZUVGTSXBQTF-UHFFFAOYSA-N 2 1 303.494 2.545 20 0 DFADMP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCC(C)(C)[N@H+]1CCC[C@H](C)C1 ZINC000449098594 429331328 /nfs/dbraw/zinc/33/13/28/429331328.db2.gz KAQQUDJFOXLEJS-GJZGRUSLSA-N 2 1 311.514 2.637 20 0 DFADMP C[C@H](Cc1coc2ccccc12)[NH2+]CCC[NH+]1CCC(O)CC1 ZINC000449094168 429331674 /nfs/dbraw/zinc/33/16/74/429331674.db2.gz QOYSAAKYUPXDHX-OAHLLOKOSA-N 2 1 316.445 2.800 20 0 DFADMP O=C(NC1CC[NH+](C2CCC2)CC1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000456684292 429337507 /nfs/dbraw/zinc/33/75/07/429337507.db2.gz NJZPMBQGXHGAQJ-SFHVURJKSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+]C[C@H]1CCn2cc[nH+]c2C1 ZINC000365547518 429339240 /nfs/dbraw/zinc/33/92/40/429339240.db2.gz CRKLBLVPCWKFFH-NEWSRXKRSA-N 2 1 324.472 2.556 20 0 DFADMP CCC[NH2+][C@H](C)C(=O)NC[C@@H]1CCC[N@@H+](C)[C@@H]1c1cccs1 ZINC000449134207 429339514 /nfs/dbraw/zinc/33/95/14/429339514.db2.gz HNEYPLULCVCSIP-YCPHGPKFSA-N 2 1 323.506 2.635 20 0 DFADMP c1cc(CN2CC[C@@H](Oc3ccncc3)C2)n(-c2ccccc2)n1 ZINC000365555285 429340763 /nfs/dbraw/zinc/34/07/63/429340763.db2.gz GXLZATURJPTDDX-LJQANCHMSA-N 2 1 320.396 2.921 20 0 DFADMP COc1ccc2oc(C[NH2+]C[C@H]3CCn4cc[nH+]c4C3)cc2c1 ZINC000365557084 429341143 /nfs/dbraw/zinc/34/11/43/429341143.db2.gz PINSMSYFAIIAFE-ZDUSSCGKSA-N 2 1 311.385 2.990 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](CC)C2)[C@H](C)C1 ZINC000449139862 429341560 /nfs/dbraw/zinc/34/15/60/429341560.db2.gz LZPJNYZQJFZEBO-BDXSIMOUSA-N 2 1 312.498 2.671 20 0 DFADMP O[C@@H](Cc1ccccc1)C[N@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000425415823 429291036 /nfs/dbraw/zinc/29/10/36/429291036.db2.gz FVYGLUJEYNXFLD-IHPCNDPISA-N 2 1 314.473 2.539 20 0 DFADMP O[C@@H](Cc1ccccc1)C[NH+]1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000425415823 429291040 /nfs/dbraw/zinc/29/10/40/429291040.db2.gz FVYGLUJEYNXFLD-IHPCNDPISA-N 2 1 314.473 2.539 20 0 DFADMP C([NH+]1CC[C@H]2CCC[C@@H]21)C1(C[N@H+]2CC[C@@H]3CCC[C@@H]32)COC1 ZINC000426457190 429393087 /nfs/dbraw/zinc/39/30/87/429393087.db2.gz XRLJZTPEUWROFE-MHORFTMASA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CC[C@@H]2CCC[C@@H]21)C1(C[N@@H+]2CC[C@H]3CCC[C@@H]32)COC1 ZINC000426457190 429393091 /nfs/dbraw/zinc/39/30/91/429393091.db2.gz XRLJZTPEUWROFE-MHORFTMASA-N 2 1 304.478 2.752 20 0 DFADMP C([NH+]1CC[C@@H]2CCC[C@@H]21)C1(C[N@H+]2CC[C@H]3CCC[C@@H]32)COC1 ZINC000426457190 429393094 /nfs/dbraw/zinc/39/30/94/429393094.db2.gz XRLJZTPEUWROFE-MHORFTMASA-N 2 1 304.478 2.752 20 0 DFADMP CC(C)CC[N@H+]1Cc2cccc(NC(=O)[C@@H]3C[NH2+]C[C@H]3C)c2C1 ZINC000449337962 429393200 /nfs/dbraw/zinc/39/32/00/429393200.db2.gz DNBOENBCGOUOFZ-GDBMZVCRSA-N 2 1 315.461 2.842 20 0 DFADMP Cn1nccc1-c1ccccc1C[N@@H+](C)C[C@H]1CCC[NH+](C)C1 ZINC000507367312 429349722 /nfs/dbraw/zinc/34/97/22/429349722.db2.gz LBCSGSRVTHCMSM-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH+](C)C[C@H]1CCC[N@H+](C)C1 ZINC000507367312 429349727 /nfs/dbraw/zinc/34/97/27/429349727.db2.gz LBCSGSRVTHCMSM-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP Cn1nccc1-c1ccccc1C[NH+](C)C[C@H]1CCC[N@@H+](C)C1 ZINC000507367312 429349729 /nfs/dbraw/zinc/34/97/29/429349729.db2.gz LBCSGSRVTHCMSM-INIZCTEOSA-N 2 1 312.461 2.861 20 0 DFADMP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@@H](C)C[NH+](C)C)CCC2 ZINC000425915585 429351136 /nfs/dbraw/zinc/35/11/36/429351136.db2.gz APCBOAASBNPHDC-OCCSQVGLSA-N 2 1 322.449 2.929 20 0 DFADMP Cn1ccnc1[C@@H]1CCC[N@@H+](CCCC(=O)OC(C)(C)C)C1 ZINC000365625040 429352524 /nfs/dbraw/zinc/35/25/24/429352524.db2.gz HHIWXDRQJGLYQW-CQSZACIVSA-N 2 1 307.438 2.721 20 0 DFADMP COCC[N@H+](C)CCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000513179151 429360938 /nfs/dbraw/zinc/36/09/38/429360938.db2.gz QOGPNBINSYRNET-UHFFFAOYSA-N 2 1 301.434 3.232 20 0 DFADMP COCC[N@@H+](C)CCCNc1cc(C)c2ccc(C)cc2[nH+]1 ZINC000513179151 429360942 /nfs/dbraw/zinc/36/09/42/429360942.db2.gz QOGPNBINSYRNET-UHFFFAOYSA-N 2 1 301.434 3.232 20 0 DFADMP Cc1cccc(CC[NH2+]Cc2ccccc2C[N@H+]2CC[C@@H](O)C2)c1 ZINC000449231891 429364213 /nfs/dbraw/zinc/36/42/13/429364213.db2.gz GESXJOJHKYUQNI-OAQYLSRUSA-N 2 1 324.468 2.894 20 0 DFADMP C[N@@H+]1CC=C(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449245451 429364701 /nfs/dbraw/zinc/36/47/01/429364701.db2.gz AYPQNXKTIWWXJZ-UHFFFAOYSA-N 2 1 302.418 2.590 20 0 DFADMP COc1ccc2c(c1)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000365735173 429366380 /nfs/dbraw/zinc/36/63/80/429366380.db2.gz KFRIJWRSTVMUPE-DSZSVDOYSA-N 2 1 302.418 2.734 20 0 DFADMP COc1ccc2c(c1)OCC[C@H]2[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000365735173 429366384 /nfs/dbraw/zinc/36/63/84/429366384.db2.gz KFRIJWRSTVMUPE-DSZSVDOYSA-N 2 1 302.418 2.734 20 0 DFADMP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C[C@@H]1CC[NH2+]CC1(F)F ZINC000514660601 429367856 /nfs/dbraw/zinc/36/78/56/429367856.db2.gz VYQQCRBHFBJHCA-STQMWFEESA-N 2 1 322.403 2.718 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)cc1O ZINC000426171168 429370362 /nfs/dbraw/zinc/37/03/62/429370362.db2.gz HFAPDZLKDYIFBR-SQWLQELKSA-N 2 1 306.450 2.794 20 0 DFADMP COc1ccc(CC[C@H](C)[NH2+][C@@H]2CC[N@@H+](C)[C@H](C)C2)cc1O ZINC000426171168 429370368 /nfs/dbraw/zinc/37/03/68/429370368.db2.gz HFAPDZLKDYIFBR-SQWLQELKSA-N 2 1 306.450 2.794 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000426296007 429380585 /nfs/dbraw/zinc/38/05/85/429380585.db2.gz PBXAPZNLIQUUDP-FZCLSBEQSA-N 2 1 317.452 2.867 20 0 DFADMP CC(C)[C@@H](C(=O)N1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1)[NH+](C)C ZINC000426385635 429388046 /nfs/dbraw/zinc/38/80/46/429388046.db2.gz PPTSKYDESGRKPV-KURKYZTESA-N 2 1 323.525 2.686 20 0 DFADMP Cc1cc(C[N@H+]2CCN(C3CC[NH+](C)CC3)[C@H](C)C2)cs1 ZINC000449324164 429388572 /nfs/dbraw/zinc/38/85/72/429388572.db2.gz CWXNYEILORNATO-CQSZACIVSA-N 2 1 307.507 2.657 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C/C[NH+](C)C)cc2)C1 ZINC000491686420 429389845 /nfs/dbraw/zinc/38/98/45/429389845.db2.gz QPCQBONVAATHHG-BIENSFFJSA-N 2 1 315.461 2.975 20 0 DFADMP C[C@H]1CCC[N@@H+](Cc2ccc(NC(=O)/C=C\C[NH+](C)C)cc2)C1 ZINC000491686422 429390413 /nfs/dbraw/zinc/39/04/13/429390413.db2.gz QPCQBONVAATHHG-WRLNGNIRSA-N 2 1 315.461 2.975 20 0 DFADMP C[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC000449336668 429390480 /nfs/dbraw/zinc/39/04/80/429390480.db2.gz OGFGLVLOSQSHNF-OAGGEKHMSA-N 2 1 309.498 2.521 20 0 DFADMP C[C@@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000518970746 429440990 /nfs/dbraw/zinc/44/09/90/429440990.db2.gz NTNJTVPDMRDIDZ-KZNAEPCWSA-N 2 1 323.525 2.912 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)CC1 ZINC000449560533 429447261 /nfs/dbraw/zinc/44/72/61/429447261.db2.gz MJCNTLJXIDWGRL-IHNMNCEXSA-N 2 1 308.466 2.713 20 0 DFADMP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000449561611 429448138 /nfs/dbraw/zinc/44/81/38/429448138.db2.gz WDFAVXIGJHOEJD-FCLXEUQJSA-N 2 1 319.424 2.758 20 0 DFADMP CCc1cccc(CC)c1NC(=O)C[NH+]1CCC(CC[NH3+])CC1 ZINC000519165816 429449605 /nfs/dbraw/zinc/44/96/05/429449605.db2.gz DTJYQFGFXHGOLU-UHFFFAOYSA-N 2 1 317.477 2.811 20 0 DFADMP C[C@](C[NH3+])([NH2+]Cc1ccc(OCc2ccncc2)cc1)C1CC1 ZINC000519161619 429449954 /nfs/dbraw/zinc/44/99/54/429449954.db2.gz KFXSIDCJLIZEGI-LJQANCHMSA-N 2 1 311.429 2.878 20 0 DFADMP COc1c(C)cnc(C[N@H+](C)CCCc2c[nH+]cn2C)c1C ZINC000519420299 429458685 /nfs/dbraw/zinc/45/86/85/429458685.db2.gz BGWBICQEWNAYFI-UHFFFAOYSA-N 2 1 302.422 2.505 20 0 DFADMP COc1c(C)cnc(C[N@@H+](C)CCCc2c[nH+]cn2C)c1C ZINC000519420299 429458688 /nfs/dbraw/zinc/45/86/88/429458688.db2.gz BGWBICQEWNAYFI-UHFFFAOYSA-N 2 1 302.422 2.505 20 0 DFADMP C[N@H+]1CC[C@]2(CCN(CCC(=O)c3ccc(F)cc3F)C2)C1 ZINC000366533917 429471141 /nfs/dbraw/zinc/47/11/41/429471141.db2.gz JAEIJBRZKVIIIS-KRWDZBQOSA-N 2 1 308.372 2.565 20 0 DFADMP CC(C)[NH2+]CCCN[C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000519537470 429463483 /nfs/dbraw/zinc/46/34/83/429463483.db2.gz FSKUDOMDWHNVNZ-VAMGGRTRSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000519537470 429463487 /nfs/dbraw/zinc/46/34/87/429463487.db2.gz FSKUDOMDWHNVNZ-VAMGGRTRSA-N 3 1 315.505 2.875 20 0 DFADMP CC(C)[NH2+]CCC[NH2+][C@@H]1CC[C@@H]2C[N@@H+](Cc3ccccc3)C[C@@H]12 ZINC000519537470 429463490 /nfs/dbraw/zinc/46/34/90/429463490.db2.gz FSKUDOMDWHNVNZ-VAMGGRTRSA-N 3 1 315.505 2.875 20 0 DFADMP C[NH+]1CCC([NH2+][C@@H](CCO)c2cccc(C(F)(F)F)c2)CC1 ZINC000449435979 429418329 /nfs/dbraw/zinc/41/83/29/429418329.db2.gz GMMLLQGFODXCQF-HNNXBMFYSA-N 2 1 316.367 2.813 20 0 DFADMP CSc1ccc([C@H](CN[C@@H]2CCC[C@@H]([NH3+])C2)[NH+](C)C)cc1 ZINC000518397087 429421620 /nfs/dbraw/zinc/42/16/20/429421620.db2.gz OOABECQTIFVHJK-INMHGKMJSA-N 2 1 307.507 2.871 20 0 DFADMP FC(F)(F)COc1cccc(C[N@@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427131839 429434140 /nfs/dbraw/zinc/43/41/40/429434140.db2.gz WBDIJURAMCBNMP-ZFWWWQNUSA-N 2 1 314.351 2.812 20 0 DFADMP FC(F)(F)COc1cccc(C[N@H+]2CC[C@@H]3[NH2+]CC[C@H]3C2)c1 ZINC000427131839 429434141 /nfs/dbraw/zinc/43/41/41/429434141.db2.gz WBDIJURAMCBNMP-ZFWWWQNUSA-N 2 1 314.351 2.812 20 0 DFADMP CCC(CC)C[N@@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449498449 429435609 /nfs/dbraw/zinc/43/56/09/429435609.db2.gz LIWAIDRPFRRYDH-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CCC(CC)C[N@H+]1CCC[C@H](C[NH+]2CCCN(C(C)=O)CC2)C1 ZINC000449498449 429435610 /nfs/dbraw/zinc/43/56/10/429435610.db2.gz LIWAIDRPFRRYDH-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CCC(CC)C[NH+]1CCC[C@H](C[N@@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449498449 429435611 /nfs/dbraw/zinc/43/56/11/429435611.db2.gz LIWAIDRPFRRYDH-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CCC(CC)C[NH+]1CCC[C@H](C[N@H+]2CCCN(C(C)=O)CC2)C1 ZINC000449498449 429435612 /nfs/dbraw/zinc/43/56/12/429435612.db2.gz LIWAIDRPFRRYDH-LJQANCHMSA-N 2 1 323.525 2.689 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H]2CCN(c3ccc(F)cc3F)C2)[C@H](C)C1 ZINC000366220834 429436574 /nfs/dbraw/zinc/43/65/74/429436574.db2.gz VZBJFZHYFFERMA-KMFMINBZSA-N 2 1 323.431 2.863 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492130966 429472286 /nfs/dbraw/zinc/47/22/86/429472286.db2.gz IAMWKDDWTTXEPC-ILXRZTDVSA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492130966 429472292 /nfs/dbraw/zinc/47/22/92/429472292.db2.gz IAMWKDDWTTXEPC-ILXRZTDVSA-N 2 1 313.486 2.562 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000492130966 429472296 /nfs/dbraw/zinc/47/22/96/429472296.db2.gz IAMWKDDWTTXEPC-ILXRZTDVSA-N 2 1 313.486 2.562 20 0 DFADMP CC[N@H+]1CC[C@@H](N(C)C(=O)C2C[NH+](C3CCCCC3)C2)C[C@H]1C ZINC000457582215 429491003 /nfs/dbraw/zinc/49/10/03/429491003.db2.gz RSMQMMVPGUVFBO-CRAIPNDOSA-N 2 1 321.509 2.582 20 0 DFADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2=CC[N@@H+](C)CC2)CC1 ZINC000366694720 429496440 /nfs/dbraw/zinc/49/64/40/429496440.db2.gz LBICMJXPXMLRIZ-LPHOPBHVSA-N 3 1 305.510 2.881 20 0 DFADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2=CC[N@H+](C)CC2)CC1 ZINC000366694720 429496444 /nfs/dbraw/zinc/49/64/44/429496444.db2.gz LBICMJXPXMLRIZ-LPHOPBHVSA-N 2 1 305.510 2.881 20 0 DFADMP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCC2=CC[N@@H+](C)CC2)CC1 ZINC000366694720 429496446 /nfs/dbraw/zinc/49/64/46/429496446.db2.gz LBICMJXPXMLRIZ-LPHOPBHVSA-N 2 1 305.510 2.881 20 0 DFADMP CC[N@H+]1CC[C@@H]([NH+](C)CCN2CCc3ccccc32)C[C@@H]1C ZINC000428237440 429503199 /nfs/dbraw/zinc/50/31/99/429503199.db2.gz MVVFHMVCHXXQSJ-FUHWJXTLSA-N 2 1 301.478 2.854 20 0 DFADMP CC[NH+]1CC[C@@H]([N@H+](C)CCN2CCc3ccccc32)C[C@@H]1C ZINC000428237440 429503204 /nfs/dbraw/zinc/50/32/04/429503204.db2.gz MVVFHMVCHXXQSJ-FUHWJXTLSA-N 2 1 301.478 2.854 20 0 DFADMP CC[NH+]1CC[C@@H]([N@@H+](C)CCN2CCc3ccccc32)C[C@@H]1C ZINC000428237440 429503207 /nfs/dbraw/zinc/50/32/07/429503207.db2.gz MVVFHMVCHXXQSJ-FUHWJXTLSA-N 2 1 301.478 2.854 20 0 DFADMP COC[C@@H]1CCC[N@@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000449770654 429504096 /nfs/dbraw/zinc/50/40/96/429504096.db2.gz DHGHZZGLVNXWKR-MRXNPFEDSA-N 2 1 314.433 2.824 20 0 DFADMP CCN(CC)c1ncc(C[NH2+]C[C@@H]2CCn3cc[nH+]c3C2)s1 ZINC000366749980 429506485 /nfs/dbraw/zinc/50/64/85/429506485.db2.gz HXQGBQWCMLGGPX-CYBMUJFWSA-N 2 1 319.478 2.538 20 0 DFADMP CC(C)c1nn(C)c(Cl)c1C[NH2+]C[C@@H]1CCn2cc[nH+]c2C1 ZINC000366751498 429506819 /nfs/dbraw/zinc/50/68/19/429506819.db2.gz OPJPAOASXRQVGR-GFCCVEGCSA-N 2 1 321.856 2.746 20 0 DFADMP CCn1nc(C[NH2+]C[C@H]2CCn3cc[nH+]c3C2)c2ccccc21 ZINC000366751488 429507533 /nfs/dbraw/zinc/50/75/33/429507533.db2.gz OKYUUUAXSKETGR-AWEZNQCLSA-N 2 1 309.417 2.605 20 0 DFADMP Cc1cc(C[N@@H+](C)CC2CCN(c3cc[nH+]cc3)CC2)ncn1 ZINC000428299906 429507687 /nfs/dbraw/zinc/50/76/87/429507687.db2.gz GHIVITPWYXLESX-UHFFFAOYSA-N 2 1 311.433 2.528 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1CNCC[N@H+]1CCCC1(C)C ZINC000449779725 429508516 /nfs/dbraw/zinc/50/85/16/429508516.db2.gz DUYBCZBYHVSWFM-UHFFFAOYSA-N 2 1 313.449 2.540 20 0 DFADMP CC1(C)CCC[N@H+]1CCNC1CC[NH+](Cc2cccnc2)CC1 ZINC000449783685 429509949 /nfs/dbraw/zinc/50/99/49/429509949.db2.gz QZGLGRCXQQBHTE-UHFFFAOYSA-N 2 1 316.493 2.510 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@H]1c1cccs1 ZINC000366955370 429547760 /nfs/dbraw/zinc/54/77/60/429547760.db2.gz ZYXGWJFLLGIEGV-NPJQDHAYSA-N 2 1 306.475 2.693 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@@H]2CO1)[C@H]1C[C@@H]1c1cccs1 ZINC000366955370 429547764 /nfs/dbraw/zinc/54/77/64/429547764.db2.gz ZYXGWJFLLGIEGV-NPJQDHAYSA-N 2 1 306.475 2.693 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000366999497 429556928 /nfs/dbraw/zinc/55/69/28/429556928.db2.gz WKUBFPUBLDWFRO-IBGZPJMESA-N 2 1 310.445 2.985 20 0 DFADMP C=Cn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000366999497 429556930 /nfs/dbraw/zinc/55/69/30/429556930.db2.gz WKUBFPUBLDWFRO-IBGZPJMESA-N 2 1 310.445 2.985 20 0 DFADMP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000521626705 429559420 /nfs/dbraw/zinc/55/94/20/429559420.db2.gz WLUOJSPJIWNXFE-WDEREUQCSA-N 2 1 319.430 2.754 20 0 DFADMP CCn1cc(CC[NH+]2CCC(Nc3cccc(C)[nH+]3)CC2)cn1 ZINC000367020098 429560515 /nfs/dbraw/zinc/56/05/15/429560515.db2.gz HDVPLLLCZJVZII-UHFFFAOYSA-N 2 1 313.449 2.725 20 0 DFADMP CCC[C@H](C(=O)NC[C@@H]1CC[N@@H+](C)[C@H]1c1cccs1)[NH+](C)C ZINC000367052061 429565969 /nfs/dbraw/zinc/56/59/69/429565969.db2.gz HMFUUCHJPZBINA-SQWLQELKSA-N 2 1 323.506 2.587 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367085068 429575153 /nfs/dbraw/zinc/57/51/53/429575153.db2.gz DFFVIWIMNHIYMB-ZRSRNVLSSA-N 2 1 324.509 2.671 20 0 DFADMP COCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@H]1C ZINC000367085068 429575156 /nfs/dbraw/zinc/57/51/56/429575156.db2.gz DFFVIWIMNHIYMB-ZRSRNVLSSA-N 2 1 324.509 2.671 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C ZINC000429037259 429576133 /nfs/dbraw/zinc/57/61/33/429576133.db2.gz TYWQFZHKBHPXCW-HBUWYVDXSA-N 2 1 317.477 2.869 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@H+]([C@@H]3C[C@H]3C)C[C@H](C)C2)c1C ZINC000429037259 429576137 /nfs/dbraw/zinc/57/61/37/429576137.db2.gz TYWQFZHKBHPXCW-HBUWYVDXSA-N 2 1 317.477 2.869 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C ZINC000429037261 429576601 /nfs/dbraw/zinc/57/66/01/429576601.db2.gz TYWQFZHKBHPXCW-QWQRMKEZSA-N 2 1 317.477 2.869 20 0 DFADMP COc1c(C)c[nH+]c(CN2CC[N@H+]([C@@H]3C[C@@H]3C)C[C@H](C)C2)c1C ZINC000429037261 429576603 /nfs/dbraw/zinc/57/66/03/429576603.db2.gz TYWQFZHKBHPXCW-QWQRMKEZSA-N 2 1 317.477 2.869 20 0 DFADMP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[N@@H+](C)C3)cc2)CC1 ZINC000522146593 429582137 /nfs/dbraw/zinc/58/21/37/429582137.db2.gz NIMIHQSZLANBPA-KRWDZBQOSA-N 2 1 315.461 2.809 20 0 DFADMP CO[C@H](Cc1ccccc1)C[NH+]1CCC([NH+]2CCCC2)CC1 ZINC000450266958 429590186 /nfs/dbraw/zinc/59/01/86/429590186.db2.gz VUCWCVXLJMLPSX-LJQANCHMSA-N 2 1 302.462 2.804 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C(=O)Nc1ccc(C[NH+](C)C)c(C)c1 ZINC000458290688 429615286 /nfs/dbraw/zinc/61/52/86/429615286.db2.gz RZVCUTZRNDDFBM-KRWDZBQOSA-N 2 1 303.450 2.870 20 0 DFADMP CC(C)n1nccc1[C@H]1OCC[C@@H]1[NH2+][C@@H]1CC[N@H+]2CCC[C@@H]2C1 ZINC000492816123 429621893 /nfs/dbraw/zinc/62/18/93/429621893.db2.gz LDFCBJQUYJOXDY-CBZIJGRNSA-N 2 1 318.465 2.510 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000450454373 429629128 /nfs/dbraw/zinc/62/91/28/429629128.db2.gz OHHYSLUWVRRBSK-YVWKXTFCSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000450454373 429629131 /nfs/dbraw/zinc/62/91/31/429629131.db2.gz OHHYSLUWVRRBSK-YVWKXTFCSA-N 2 1 316.489 2.815 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[NH+]1CC[C@H](C[N@@H+](C)CC2CC2)C1 ZINC000450454373 429629136 /nfs/dbraw/zinc/62/91/36/429629136.db2.gz OHHYSLUWVRRBSK-YVWKXTFCSA-N 2 1 316.489 2.815 20 0 DFADMP CCc1ccc2[nH+]ccc(N3CC[N@@H+](C[C@H](C)O)C[C@H]3C)c2c1 ZINC000450452761 429630182 /nfs/dbraw/zinc/63/01/82/429630182.db2.gz ICFLXICAEWGFFC-CABCVRRESA-N 2 1 313.445 2.689 20 0 DFADMP C[C@@H](O)c1ncc(C[N@H+]2CCCC3(CC[NH+](C)CC3)C2)s1 ZINC000367355902 429630558 /nfs/dbraw/zinc/63/05/58/429630558.db2.gz HVYGUEIGQSHCQI-CYBMUJFWSA-N 2 1 309.479 2.504 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](C[C@@H]2CCC(F)(F)C2)C1 ZINC000450454984 429631797 /nfs/dbraw/zinc/63/17/97/429631797.db2.gz PMTJNSMGHUNWSG-HUUCEWRRSA-N 2 1 304.425 2.855 20 0 DFADMP CN(C(=O)C=Cc1c[nH]cn1)[C@H]1CCC[N@@H+](Cc2ccccc2)C1 ZINC000492872168 429634364 /nfs/dbraw/zinc/63/43/64/429634364.db2.gz YHMVEVIKCGUQNA-LPADLIQXSA-N 2 1 324.428 2.546 20 0 DFADMP Cc1[nH+]ccn1CCCCNc1cc[nH+]cc1-c1cccnc1 ZINC000367434036 429647650 /nfs/dbraw/zinc/64/76/50/429647650.db2.gz CYVPTNDXBDPLPT-UHFFFAOYSA-N 2 1 307.401 2.963 20 0 DFADMP CC[N@H+]1CC[C@H](N(C)Cc2ccn(CC(F)(F)F)n2)[C@H](C)C1 ZINC000450574097 429651430 /nfs/dbraw/zinc/65/14/30/429651430.db2.gz ZDEDGFLMXDWESP-OCCSQVGLSA-N 2 1 318.387 2.608 20 0 DFADMP C[C@@H]1C[C@@H](C[NH2+][C@@H]2CC[N@@H+](C[C@@H]3CCCO3)C[C@@H]2C)C[C@H](C)O1 ZINC000367183376 429593557 /nfs/dbraw/zinc/59/35/57/429593557.db2.gz CHIQXZXLTDAEIB-UIFYRBHJSA-N 2 1 324.509 2.669 20 0 DFADMP C[NH+]1CCC([NH+]2CCC(CC[NH2+][C@H]3CCC[C@H]4C[C@H]43)CC2)CC1 ZINC000367183501 429594088 /nfs/dbraw/zinc/59/40/88/429594088.db2.gz CFDPHKFLUJSRFN-SXLOBPIMSA-N 3 1 319.537 2.961 20 0 DFADMP COCCCC[NH+]1CCC2(C[C@@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000367264019 429606772 /nfs/dbraw/zinc/60/67/72/429606772.db2.gz IPHFYZZIBQKYRK-HNNXBMFYSA-N 2 1 323.506 2.856 20 0 DFADMP COCCCC[NH+]1CCC2(C[C@@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000367264019 429606778 /nfs/dbraw/zinc/60/67/78/429606778.db2.gz IPHFYZZIBQKYRK-HNNXBMFYSA-N 2 1 323.506 2.856 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367264195 429606973 /nfs/dbraw/zinc/60/69/73/429606973.db2.gz KYTRHTHXXVYCIB-GBBGEASQSA-N 2 1 300.446 2.631 20 0 DFADMP C[C@H]([NH2+]C[C@H]1C[N@H+]2CCC[C@H]2CO1)[C@@H]1C[C@H]1c1ccccc1 ZINC000367264195 429606977 /nfs/dbraw/zinc/60/69/77/429606977.db2.gz KYTRHTHXXVYCIB-GBBGEASQSA-N 2 1 300.446 2.631 20 0 DFADMP C[C@H]([NH3+])c1ccc(CNC(=O)[C@@H](c2ccccc2)[NH+](C)C)cc1 ZINC000429491353 429610583 /nfs/dbraw/zinc/61/05/83/429610583.db2.gz KZADRVXMGINFFN-KBXCAEBGSA-N 2 1 311.429 2.625 20 0 DFADMP Cc1ccncc1CCC[N@H+]1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000430138809 429656562 /nfs/dbraw/zinc/65/65/62/429656562.db2.gz OHKVTHWHADCLRO-VDZJLULYSA-N 2 1 301.478 2.985 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCN([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000430138809 429656566 /nfs/dbraw/zinc/65/65/66/429656566.db2.gz OHKVTHWHADCLRO-VDZJLULYSA-N 2 1 301.478 2.985 20 0 DFADMP C[N@@H+](CC[C@@H]1CCOC1)[C@H]1CCC[NH+](CC[C@H]2CCOC2)CC1 ZINC000450613008 429660851 /nfs/dbraw/zinc/66/08/51/429660851.db2.gz LUYKAQDMQAHANE-QYZOEREBSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)[C@H]1CCC[N@H+](CC[C@H]2CCOC2)CC1 ZINC000450613008 429660855 /nfs/dbraw/zinc/66/08/55/429660855.db2.gz LUYKAQDMQAHANE-QYZOEREBSA-N 2 1 324.509 2.626 20 0 DFADMP C[NH+](CC[C@@H]1CCOC1)[C@H]1CCC[N@@H+](CC[C@H]2CCOC2)CC1 ZINC000450613008 429660860 /nfs/dbraw/zinc/66/08/60/429660860.db2.gz LUYKAQDMQAHANE-QYZOEREBSA-N 2 1 324.509 2.626 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccc(OCC3CC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367517650 429664689 /nfs/dbraw/zinc/66/46/89/429664689.db2.gz CVPGILXNHSZOEU-BZSNNMDCSA-N 2 1 315.461 2.833 20 0 DFADMP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367526032 429666416 /nfs/dbraw/zinc/66/64/16/429666416.db2.gz FTJDMFLJCNANBW-RCCFBDPRSA-N 2 1 318.461 2.709 20 0 DFADMP CC(C)(C)n1cc(CN2C[C@@H]3C[N@H+]4CCCC[C@H]4[C@H]3C2)cn1 ZINC000367472164 429654432 /nfs/dbraw/zinc/65/44/32/429654432.db2.gz FOMVICBVWDDZGH-IKGGRYGDSA-N 2 1 302.466 2.554 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC000295958556 276075525 /nfs/dbraw/zinc/07/55/25/276075525.db2.gz HQRKRNMWDDKUJZ-MSOLQXFVSA-N 2 1 317.477 2.662 20 0 DFADMP CC[N@@H+](C)Cc1cccc(CNC(=O)C[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC000295958571 276075528 /nfs/dbraw/zinc/07/55/28/276075528.db2.gz HQRKRNMWDDKUJZ-ZWKOTPCHSA-N 2 1 317.477 2.662 20 0 DFADMP CC[N@@H+](C)[C@@H](C(=O)N(C)CC[C@@H]([NH3+])C(C)C)c1ccccc1 ZINC000236884602 276076329 /nfs/dbraw/zinc/07/63/29/276076329.db2.gz UIVPSVKIPWFKQB-IAGOWNOFSA-N 2 1 305.466 2.511 20 0 DFADMP CC[N@@H+](CC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C)C1CC1 ZINC000357876106 276084439 /nfs/dbraw/zinc/08/44/39/276084439.db2.gz SKJGTSLHCIGHME-KXBFYZLASA-N 2 1 317.477 2.587 20 0 DFADMP C[C@H](c1ccccc1)[C@@H](O)C[NH+]1CCC2(CCC[N@H+]2C)CC1 ZINC000450649999 429671204 /nfs/dbraw/zinc/67/12/04/429671204.db2.gz YHSAHRZNBGQGKZ-AEFFLSMTSA-N 2 1 302.462 2.711 20 0 DFADMP CC[NH+]1CCC([NH2+][C@H]2CCC(=O)Nc3ccc(F)cc32)CC1 ZINC000360611208 276151788 /nfs/dbraw/zinc/15/17/88/276151788.db2.gz FZBUVJIHMYJSCQ-HNNXBMFYSA-N 2 1 305.397 2.673 20 0 DFADMP CC[NH+]1CCN([C@H]2CC[N@H+]([C@H]3CCc4ccc(F)cc43)C2)CC1 ZINC000247401330 276201575 /nfs/dbraw/zinc/20/15/75/276201575.db2.gz XJNNYXLWTGPBCF-HKUYNNGSSA-N 2 1 317.452 2.525 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]CCc2ccc(NC(=O)OC)cc2)[C@@H](C)C1 ZINC000271458448 276228967 /nfs/dbraw/zinc/22/89/67/276228967.db2.gz HIENDGYYRMKMBG-YOEHRIQHSA-N 2 1 319.449 2.727 20 0 DFADMP CCC[N@@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000353954188 276260611 /nfs/dbraw/zinc/26/06/11/276260611.db2.gz JGQCDHNAYPULKV-VQHPVUNQSA-N 2 1 310.482 2.818 20 0 DFADMP CCC[N@H+]1CCC[C@@H]1C[NH2+][C@@H]1CC[C@H](C(=O)OCC)[C@H](C)C1 ZINC000353954188 276260612 /nfs/dbraw/zinc/26/06/12/276260612.db2.gz JGQCDHNAYPULKV-VQHPVUNQSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367613173 429685023 /nfs/dbraw/zinc/68/50/23/429685023.db2.gz BRUNJJWXJUIQGG-JFIYKMOQSA-N 3 1 312.461 2.807 20 0 DFADMP C[N@@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@H]2CCC[C@@H]21 ZINC000367611291 429685819 /nfs/dbraw/zinc/68/58/19/429685819.db2.gz BNNZZHHCMBVJIO-SQNIBIBYSA-N 2 1 302.466 2.961 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2ccn(C3CCCC3)n2)[C@H]2CCC[C@@H]21 ZINC000367611291 429685823 /nfs/dbraw/zinc/68/58/23/429685823.db2.gz BNNZZHHCMBVJIO-SQNIBIBYSA-N 2 1 302.466 2.961 20 0 DFADMP CN(CC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617736 429687479 /nfs/dbraw/zinc/68/74/79/429687479.db2.gz REFKDWHUZHEHQY-OTWHNJEPSA-N 2 1 319.468 2.720 20 0 DFADMP CN(CC[NH2+][C@@H]1CCN(C)[C@H]2CCC[C@H]21)Cc1ccc(F)cc1 ZINC000367617736 429687481 /nfs/dbraw/zinc/68/74/81/429687481.db2.gz REFKDWHUZHEHQY-OTWHNJEPSA-N 2 1 319.468 2.720 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@@H]([N@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000430595462 429699849 /nfs/dbraw/zinc/69/98/49/429699849.db2.gz YBWJHEAKGZIERW-MRXNPFEDSA-N 2 1 321.440 2.546 20 0 DFADMP Cc1cc(F)ccc1N1CCC[C@@H]([N@@H+](C)CC(C)(C)C[NH3+])C1=O ZINC000430595462 429699851 /nfs/dbraw/zinc/69/98/51/429699851.db2.gz YBWJHEAKGZIERW-MRXNPFEDSA-N 2 1 321.440 2.546 20 0 DFADMP Cc1ccc(CC[N@H+](C)[C@@H]2CCN(C3CC[NH+](C)CC3)C2)cc1 ZINC000367677777 429697053 /nfs/dbraw/zinc/69/70/53/429697053.db2.gz HHZCPONKWKWMGR-HXUWFJFHSA-N 2 1 315.505 2.638 20 0 DFADMP C[C@@](C[NH3+])([NH2+]Cc1ccc(OCc2ccccn2)cc1)C1CC1 ZINC000430584415 429697473 /nfs/dbraw/zinc/69/74/73/429697473.db2.gz OMSBGQAUVUFWKZ-IBGZPJMESA-N 2 1 311.429 2.878 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430613432 429700622 /nfs/dbraw/zinc/70/06/22/429700622.db2.gz VMLHPZIHWMPXLR-UKRRQHHQSA-N 2 1 321.490 2.939 20 0 DFADMP CSc1ccccc1NC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000430613432 429700623 /nfs/dbraw/zinc/70/06/23/429700623.db2.gz VMLHPZIHWMPXLR-UKRRQHHQSA-N 2 1 321.490 2.939 20 0 DFADMP Cc1cccn2c(C[N@@H+]3CC[C@@H](C4CC[NH+](C)CC4)C3)cnc12 ZINC000367690010 429700714 /nfs/dbraw/zinc/70/07/14/429700714.db2.gz SVCRKISKBUCPCN-QGZVFWFLSA-N 2 1 312.461 2.806 20 0 DFADMP C[C@H](c1nc(Cc2ccc(F)cc2)no1)[NH+]1CCC(C[NH3+])CC1 ZINC000430605335 429701365 /nfs/dbraw/zinc/70/13/65/429701365.db2.gz QQRYVDRQECQBFA-GFCCVEGCSA-N 2 1 318.396 2.531 20 0 DFADMP Fc1ccc2c(NCC[N@@H+]3C[C@H]4CC[C@@H](C3)O4)cc[nH+]c2c1 ZINC000450797791 429701374 /nfs/dbraw/zinc/70/13/74/429701374.db2.gz XMSQSVUJSYIXLU-OKILXGFUSA-N 2 1 301.365 2.649 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1CCC[C@H](C[NH3+])C1 ZINC000430629034 429702984 /nfs/dbraw/zinc/70/29/84/429702984.db2.gz PHKCWDWBMKSRRD-ZIAGYGMSSA-N 2 1 323.868 2.530 20 0 DFADMP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1CCC[C@H](C[NH3+])C1 ZINC000430629034 429702989 /nfs/dbraw/zinc/70/29/89/429702989.db2.gz PHKCWDWBMKSRRD-ZIAGYGMSSA-N 2 1 323.868 2.530 20 0 DFADMP COC[C@H](C)C[NH+]1CCC2(C[C@H]2[N@H+](C)Cc2nccs2)CC1 ZINC000526120456 429703160 /nfs/dbraw/zinc/70/31/60/429703160.db2.gz OOOWFOXFKMHYBW-HUUCEWRRSA-N 2 1 323.506 2.712 20 0 DFADMP COC[C@H](C)C[NH+]1CCC2(C[C@H]2[N@@H+](C)Cc2nccs2)CC1 ZINC000526120456 429703166 /nfs/dbraw/zinc/70/31/66/429703166.db2.gz OOOWFOXFKMHYBW-HUUCEWRRSA-N 2 1 323.506 2.712 20 0 DFADMP C[N@@H+](CCOc1ccc(C(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000430619424 429704179 /nfs/dbraw/zinc/70/41/79/429704179.db2.gz AVPLGTPNUPYEAG-UHFFFAOYSA-N 2 1 302.340 2.768 20 0 DFADMP C[N@@H+](CCOc1ccc(OC(F)(F)F)cc1)C1CC[NH2+]CC1 ZINC000430638919 429704750 /nfs/dbraw/zinc/70/47/50/429704750.db2.gz GPJPZYGACBZQKZ-UHFFFAOYSA-N 2 1 318.339 2.648 20 0 DFADMP C[C@@H](CNC(=O)[C@@H](C)[C@@H]([NH3+])c1ccccc1)[N@H+]1CCCC[C@H]1C ZINC000430748239 429713414 /nfs/dbraw/zinc/71/34/14/429713414.db2.gz PNUOWNIULKBGAC-MUQADHOPSA-N 2 1 317.477 2.702 20 0 DFADMP C[C@H](CNC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])[N@H+]1CCCC[C@H]1C ZINC000430758722 429713938 /nfs/dbraw/zinc/71/39/38/429713938.db2.gz DGGGSFQNPRKMEH-VQHPVUNQSA-N 2 1 309.498 2.663 20 0 DFADMP [NH3+][C@@H]1CCCCCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC2CCCC2)C1 ZINC000430780772 429716097 /nfs/dbraw/zinc/71/60/97/429716097.db2.gz OSKVMNBUCYTFKT-RCCFBDPRSA-N 2 1 321.509 2.665 20 0 DFADMP [NH3+]C[C@@H]1CC[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430938042 429728216 /nfs/dbraw/zinc/72/82/16/429728216.db2.gz GRXBSIFLZWTZFH-INIZCTEOSA-N 2 1 309.413 2.720 20 0 DFADMP [NH3+]C[C@@H]1CC[N@@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)C1 ZINC000430938042 429728219 /nfs/dbraw/zinc/72/82/19/429728219.db2.gz GRXBSIFLZWTZFH-INIZCTEOSA-N 2 1 309.413 2.720 20 0 DFADMP C[C@@H]1C[N@H+](CCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000430972726 429731109 /nfs/dbraw/zinc/73/11/09/429731109.db2.gz RIQFJUPHGUXJGD-YPMHNXCESA-N 2 1 302.340 2.753 20 0 DFADMP C[C@@H]1C[N@@H+](CCOc2ccccc2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000430972726 429731114 /nfs/dbraw/zinc/73/11/14/429731114.db2.gz RIQFJUPHGUXJGD-YPMHNXCESA-N 2 1 302.340 2.753 20 0 DFADMP C[C@@H](c1ccccc1)[N@H+]1CC[C@H](NC(=O)C2([NH3+])CCCCC2)C1 ZINC000431062426 429737111 /nfs/dbraw/zinc/73/71/11/429737111.db2.gz QCTLHQKCCFCFNS-RDJZCZTQSA-N 2 1 315.461 2.600 20 0 DFADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076790 429740644 /nfs/dbraw/zinc/74/06/44/429740644.db2.gz GUIGFWBBWLBLAT-DGCLKSJQSA-N 2 1 318.396 2.781 20 0 DFADMP C[C@@H]1C[C@@H](c2ccc(F)cc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076790 429740650 /nfs/dbraw/zinc/74/06/50/429740650.db2.gz GUIGFWBBWLBLAT-DGCLKSJQSA-N 2 1 318.396 2.781 20 0 DFADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076792 429740787 /nfs/dbraw/zinc/74/07/87/429740787.db2.gz GUIGFWBBWLBLAT-YPMHNXCESA-N 2 1 318.396 2.781 20 0 DFADMP C[C@@H]1C[C@H](c2ccc(F)cc2)C[N@H+]1Cc1nc(C(C)(C)[NH3+])no1 ZINC000431076792 429740790 /nfs/dbraw/zinc/74/07/90/429740790.db2.gz GUIGFWBBWLBLAT-YPMHNXCESA-N 2 1 318.396 2.781 20 0 DFADMP C[C@@H]1C[C@H]([NH+]2CCCC2)CN1CC[N@@H+](C)Cc1ccccc1 ZINC000450980927 429743690 /nfs/dbraw/zinc/74/36/90/429743690.db2.gz HCRCSOWOXNMIBM-MJGOQNOKSA-N 2 1 301.478 2.677 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC34CC(C3)CO4)CC23CC3)cc1 ZINC000527788446 429798220 /nfs/dbraw/zinc/79/82/20/429798220.db2.gz HLIGKYROOSPDKE-QPIRBTGLSA-N 2 1 312.457 2.952 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+]CC34CC(C3)CO4)CC23CC3)cc1 ZINC000527788446 429798222 /nfs/dbraw/zinc/79/82/22/429798222.db2.gz HLIGKYROOSPDKE-QPIRBTGLSA-N 2 1 312.457 2.952 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCOCC3CC3)C1)CCCC2 ZINC000432099308 429801716 /nfs/dbraw/zinc/80/17/16/429801716.db2.gz QHNXMSRWQRQYGQ-MRXNPFEDSA-N 2 1 303.450 2.744 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCOCC3CC3)C1)CCCC2 ZINC000432099308 429801719 /nfs/dbraw/zinc/80/17/19/429801719.db2.gz QHNXMSRWQRQYGQ-MRXNPFEDSA-N 2 1 303.450 2.744 20 0 DFADMP CSC1(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)CCC1 ZINC000367955345 429753106 /nfs/dbraw/zinc/75/31/06/429753106.db2.gz HWWAUVPZYOQRTP-HNNXBMFYSA-N 2 1 320.506 2.938 20 0 DFADMP CCOc1ccc(CNC[C@@H]2C[N@H+](CC(C)C)CCO2)cc1F ZINC000486943459 429756112 /nfs/dbraw/zinc/75/61/12/429756112.db2.gz NDAIXNYNTOLCPA-MRXNPFEDSA-N 2 1 324.440 2.671 20 0 DFADMP c1ccc(C[NH+]2CC[C@@H]3C[N@H+](CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967380 429756216 /nfs/dbraw/zinc/75/62/16/429756216.db2.gz UWOOXKBWBMLTCK-WOJBJXKFSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]3C[NH+](CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967380 429756219 /nfs/dbraw/zinc/75/62/19/429756219.db2.gz UWOOXKBWBMLTCK-WOJBJXKFSA-N 2 1 312.457 2.787 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]3C[NH+](CC4=CCCOC4)C[C@H]3C2)cc1 ZINC000367967380 429756222 /nfs/dbraw/zinc/75/62/22/429756222.db2.gz UWOOXKBWBMLTCK-WOJBJXKFSA-N 2 1 312.457 2.787 20 0 DFADMP Cc1cc(CN2C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)ccn1 ZINC000527538232 429757655 /nfs/dbraw/zinc/75/76/55/429757655.db2.gz FNRLKOGYVZBPFL-BGYRXZFFSA-N 2 1 307.441 2.954 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000451065875 429759248 /nfs/dbraw/zinc/75/92/48/429759248.db2.gz WAIRAKBXLKIQLN-YDZRNGNQSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000451065875 429759250 /nfs/dbraw/zinc/75/92/50/429759250.db2.gz WAIRAKBXLKIQLN-YDZRNGNQSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000451065875 429759253 /nfs/dbraw/zinc/75/92/53/429759253.db2.gz WAIRAKBXLKIQLN-YDZRNGNQSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[N@H+]1CCCC[C@H]1CN1CC[NH+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000451065874 429760022 /nfs/dbraw/zinc/76/00/22/429760022.db2.gz WAIRAKBXLKIQLN-XWSJACJDSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000451065874 429760026 /nfs/dbraw/zinc/76/00/26/429760026.db2.gz WAIRAKBXLKIQLN-XWSJACJDSA-N 2 1 307.526 2.911 20 0 DFADMP CC(C)[NH+]1CCCC[C@H]1CN1CC[N@H+]([C@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000451065874 429760030 /nfs/dbraw/zinc/76/00/30/429760030.db2.gz WAIRAKBXLKIQLN-XWSJACJDSA-N 2 1 307.526 2.911 20 0 DFADMP OC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000367997816 429761821 /nfs/dbraw/zinc/76/18/21/429761821.db2.gz GLLMHZUEEBKOLF-CEXWTWQISA-N 2 1 314.473 2.792 20 0 DFADMP CC[NH+](CC)CCCC1CCN(C(=O)[C@H]2C[N@@H+](C)C[C@@H]2C)CC1 ZINC000487067490 429763538 /nfs/dbraw/zinc/76/35/38/429763538.db2.gz PFOYPCQKTUKDQI-WMZOPIPTSA-N 2 1 323.525 2.545 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2[C@@H]1CCc2ccccc21 ZINC000368017764 429766428 /nfs/dbraw/zinc/76/64/28/429766428.db2.gz IDEBVVOVFCOFQH-OWYHZJEWSA-N 2 1 300.446 2.857 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000368025959 429770549 /nfs/dbraw/zinc/77/05/49/429770549.db2.gz YTLOXFHJKOXOIX-IPMKNSEASA-N 2 1 317.477 2.506 20 0 DFADMP Cc1ccncc1CCC[N@@H+]1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000368025957 429770981 /nfs/dbraw/zinc/77/09/81/429770981.db2.gz YTLOXFHJKOXOIX-GBESFXJTSA-N 2 1 317.477 2.506 20 0 DFADMP C[C@@]1(F)CCC[NH+](CCOCC[N@@H+]2CCC[C@@](C)(F)C2)C1 ZINC000451116682 429771970 /nfs/dbraw/zinc/77/19/70/429771970.db2.gz SINCBJKSLDXREM-HZPDHXFCSA-N 2 1 304.425 2.651 20 0 DFADMP C[C@H]1CCC[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431718457 429778922 /nfs/dbraw/zinc/77/89/22/429778922.db2.gz DATJMILZPSBFJN-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431718457 429778928 /nfs/dbraw/zinc/77/89/28/429778928.db2.gz DATJMILZPSBFJN-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H]1CCC[NH+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000431718457 429778930 /nfs/dbraw/zinc/77/89/30/429778930.db2.gz DATJMILZPSBFJN-IRXDYDNUSA-N 2 1 323.525 2.878 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368071608 429779906 /nfs/dbraw/zinc/77/99/06/429779906.db2.gz NALCHHOETPWXCF-HNNXBMFYSA-N 2 1 321.465 2.747 20 0 DFADMP CCOC(=O)CC(C)(C)CC[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000368071608 429779911 /nfs/dbraw/zinc/77/99/11/429779911.db2.gz NALCHHOETPWXCF-HNNXBMFYSA-N 2 1 321.465 2.747 20 0 DFADMP C[C@H]([NH2+]Cc1ccccc1C[N@H+]1CC[C@@H](O)C1)[C@@H]1C[C@H]1C1CC1 ZINC000527692319 429780745 /nfs/dbraw/zinc/78/07/45/429780745.db2.gz SBFFKQFNKAFFPU-WBCYEJBOSA-N 2 1 314.473 2.777 20 0 DFADMP C[C@@H](C[NH+]1CCCCC1)NC(=O)[C@H]1CCCC[N@H+]1C1CCCC1 ZINC000431912751 429790229 /nfs/dbraw/zinc/79/02/29/429790229.db2.gz JXEYIECEAQADRK-FUHWJXTLSA-N 2 1 321.509 2.774 20 0 DFADMP c1cn(CCC[N@H+]2C[C@@H]3CC[NH+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000368130991 429794207 /nfs/dbraw/zinc/79/42/07/429794207.db2.gz IEXDMDBXHOALSG-VQTJNVASSA-N 3 1 324.472 2.727 20 0 DFADMP c1cn(CCC[NH+]2C[C@@H]3CC[N@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000368130991 429794213 /nfs/dbraw/zinc/79/42/13/429794213.db2.gz IEXDMDBXHOALSG-VQTJNVASSA-N 3 1 324.472 2.727 20 0 DFADMP c1cn(CCC[NH+]2C[C@@H]3CC[N@@H+](Cc4ccccc4)C[C@H]3C2)cn1 ZINC000368130991 429794217 /nfs/dbraw/zinc/79/42/17/429794217.db2.gz IEXDMDBXHOALSG-VQTJNVASSA-N 3 1 324.472 2.727 20 0 DFADMP C[C@@H]1C[N@@H+](CCC[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)CCCO1 ZINC000432346352 429816415 /nfs/dbraw/zinc/81/64/15/429816415.db2.gz LGQDKPXZUDRSST-NZSAHSFTSA-N 2 1 302.462 2.881 20 0 DFADMP CCCn1nc(C)c(C[NH2+]CCC[N@@H+]2CCCO[C@H](C)C2)c1C ZINC000432355466 429818156 /nfs/dbraw/zinc/81/81/56/429818156.db2.gz DCBYQDOZFLYZGX-OAHLLOKOSA-N 2 1 322.497 2.500 20 0 DFADMP CCCn1nc(C)c(C[NH2+]CCC[N@H+]2CCCO[C@H](C)C2)c1C ZINC000432355466 429818159 /nfs/dbraw/zinc/81/81/59/429818159.db2.gz DCBYQDOZFLYZGX-OAHLLOKOSA-N 2 1 322.497 2.500 20 0 DFADMP CSc1ccc(C[NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)cc1 ZINC000432353492 429818344 /nfs/dbraw/zinc/81/83/44/429818344.db2.gz MFRWMOZZLLPAPB-HNNXBMFYSA-N 2 1 308.491 2.999 20 0 DFADMP C[C@H]1C[N@H+](CCC[NH2+]C2C3CC4CC(C3)CC2C4)CCCO1 ZINC000432418925 429821263 /nfs/dbraw/zinc/82/12/63/429821263.db2.gz XHISPGCNCWLEMA-QWEMWOLJSA-N 2 1 306.494 2.902 20 0 DFADMP C[C@H]1C[N@@H+](CCC[NH2+]C2C3CC4CC(C3)CC2C4)CCCO1 ZINC000432418925 429821268 /nfs/dbraw/zinc/82/12/68/429821268.db2.gz XHISPGCNCWLEMA-QWEMWOLJSA-N 2 1 306.494 2.902 20 0 DFADMP CC(C)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000432413387 429821341 /nfs/dbraw/zinc/82/13/41/429821341.db2.gz LYTLKVSSSTVVQD-SJLPKXTDSA-N 2 1 305.466 2.869 20 0 DFADMP CC(C)[C@@H]([NH2+]CCC[N@H+]1CCCO[C@H](C)C1)c1cccnc1 ZINC000432413387 429821343 /nfs/dbraw/zinc/82/13/43/429821343.db2.gz LYTLKVSSSTVVQD-SJLPKXTDSA-N 2 1 305.466 2.869 20 0 DFADMP CCC1(CC)[C@H]([NH2+]CCC[N@H+]2CCCO[C@@H](C)C2)C[C@@H]1OC ZINC000432413433 429821835 /nfs/dbraw/zinc/82/18/35/429821835.db2.gz MMRFYBNUMIAWTH-BBWFWOEESA-N 2 1 312.498 2.671 20 0 DFADMP C[C@H]1C[C@H]([NH2+]CCc2cccc3c2OC(F)(F)O3)CC[N@H+]1C ZINC000527943696 429824644 /nfs/dbraw/zinc/82/46/44/429824644.db2.gz BHWPUQUYEHZGEC-WCQYABFASA-N 2 1 312.360 2.623 20 0 DFADMP C[C@H]([NH2+]CC12CC(C1)CO2)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000527977415 429829183 /nfs/dbraw/zinc/82/91/83/429829183.db2.gz FKWPDRWLNQYBGY-WEOZKBJRSA-N 2 1 300.446 2.666 20 0 DFADMP CC1(C)Cc2cccc(C[NH2+]C[C@@H]3CCn4cc[nH+]c4C3)c2O1 ZINC000368432082 429848263 /nfs/dbraw/zinc/84/82/63/429848263.db2.gz IGKJOVAKIALBPJ-CQSZACIVSA-N 2 1 311.429 2.949 20 0 DFADMP COc1ccc([C@H]([NH2+][C@H]2CC[N@H+]3CCC[C@H]3C2)C2CC2)cn1 ZINC000527844518 429808700 /nfs/dbraw/zinc/80/87/00/429808700.db2.gz ZOXQHPUOTJCUDA-XYJFISCASA-N 2 1 301.434 2.758 20 0 DFADMP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCN(C)CC2)cc1)[C@@H]1CC12CC2 ZINC000527848516 429809722 /nfs/dbraw/zinc/80/97/22/429809722.db2.gz KKOIUZJRQAVUEG-APWZRJJASA-N 2 1 313.489 2.712 20 0 DFADMP C[N@H+]1CC[C@@H](C[NH2+]Cc2c[nH]c3nccnc23)[C@H]1c1ccccc1 ZINC000368229057 429813834 /nfs/dbraw/zinc/81/38/34/429813834.db2.gz SOWNCOIQQPYMAT-MAUKXSAKSA-N 2 1 321.428 2.692 20 0 DFADMP CSCCCCC[NH2+][C@@H]1CC[N@@H+](C[C@H]2CCCO2)C[C@@H]1C ZINC000368633103 429880671 /nfs/dbraw/zinc/88/06/71/429880671.db2.gz KULFRSITQPKKAV-GVDBMIGSSA-N 2 1 314.539 2.999 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ncccc2Cl)C1 ZINC000528401080 429885543 /nfs/dbraw/zinc/88/55/43/429885543.db2.gz UVQAFJSJVNQFBJ-AWEZNQCLSA-N 2 1 311.857 2.668 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@@H+](Cc2ncccc2Cl)C1 ZINC000528401080 429885544 /nfs/dbraw/zinc/88/55/44/429885544.db2.gz UVQAFJSJVNQFBJ-AWEZNQCLSA-N 2 1 311.857 2.668 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC([NH2+]C(C)C)CC1 ZINC000528413205 429886250 /nfs/dbraw/zinc/88/62/50/429886250.db2.gz HZPMNYFDYAKQCT-GOSISDBHSA-N 2 1 308.441 2.846 20 0 DFADMP CCn1nc(CN2C[C@@H]3C[N@H+]4CCCC[C@@H]4[C@@H]3C2)c2ccccc21 ZINC000368708645 429889302 /nfs/dbraw/zinc/88/93/02/429889302.db2.gz YYZFIJGHKOIZGX-SZVBFZGTSA-N 2 1 324.472 2.972 20 0 DFADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[N@@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000368720194 429889810 /nfs/dbraw/zinc/88/98/10/429889810.db2.gz WFFGMYLAWNFBLI-VNTMZGSJSA-N 2 1 314.473 2.851 20 0 DFADMP c1ccc(C[C@@H]2CC[C@H]([NH2+]C[C@@H]3C[N@H+]4CCC[C@@H]4CO3)C2)cc1 ZINC000368720194 429889811 /nfs/dbraw/zinc/88/98/11/429889811.db2.gz WFFGMYLAWNFBLI-VNTMZGSJSA-N 2 1 314.473 2.851 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCC[C@]2(CC[NH+](C)C2)C1 ZINC000528520360 429896665 /nfs/dbraw/zinc/89/66/65/429896665.db2.gz WXSFXNVSMSXAMP-RTBURBONSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000528520360 429896666 /nfs/dbraw/zinc/89/66/66/429896666.db2.gz WXSFXNVSMSXAMP-RTBURBONSA-N 2 1 320.452 2.801 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[NH+]1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000528520360 429896668 /nfs/dbraw/zinc/89/66/68/429896668.db2.gz WXSFXNVSMSXAMP-RTBURBONSA-N 2 1 320.452 2.801 20 0 DFADMP CC[N@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+]2CCCCC2)C1 ZINC000369021051 429907865 /nfs/dbraw/zinc/90/78/65/429907865.db2.gz GXFAIHFYTGZEQA-ZWKOTPCHSA-N 2 1 321.509 2.585 20 0 DFADMP c1cc(CCCN2CCC[N@H+]3CCC[C@@H]3C2)cc2c1OCC2 ZINC000369154825 429916265 /nfs/dbraw/zinc/91/62/65/429916265.db2.gz WDUFKLCHMWRZDW-GOSISDBHSA-N 2 1 300.446 2.724 20 0 DFADMP CCn1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000369185872 429918085 /nfs/dbraw/zinc/91/80/85/429918085.db2.gz XZCCAJCGDFUSEG-IBGZPJMESA-N 2 1 312.461 2.905 20 0 DFADMP CCn1cc(C[NH2+]C[C@]2(C)CC[N@@H+](Cc3ccccc3)C2)cn1 ZINC000369185872 429918086 /nfs/dbraw/zinc/91/80/86/429918086.db2.gz XZCCAJCGDFUSEG-IBGZPJMESA-N 2 1 312.461 2.905 20 0 DFADMP COCCOc1ccc(C[NH2+]C[C@@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000573506350 429957884 /nfs/dbraw/zinc/95/78/84/429957884.db2.gz IMRHYFLXMYOHRV-KRWDZBQOSA-N 2 1 306.450 2.532 20 0 DFADMP Cc1cc(F)ccc1CN1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000573504193 429958476 /nfs/dbraw/zinc/95/84/76/429958476.db2.gz XALNGEFXDGYTKX-HNNXBMFYSA-N 2 1 306.425 2.819 20 0 DFADMP COCCOc1ccc(C[NH2+]C[C@H]2CC[N@H+](C(C)C)C2)cc1 ZINC000573506351 429959040 /nfs/dbraw/zinc/95/90/40/429959040.db2.gz IMRHYFLXMYOHRV-QGZVFWFLSA-N 2 1 306.450 2.532 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)N[C@@H]1C[C@H](C)[NH+](Cc2ccccc2)C1 ZINC000573610545 429964502 /nfs/dbraw/zinc/96/45/02/429964502.db2.gz OJUAHVRSYWMKCF-JENIJYKNSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000573610545 429964506 /nfs/dbraw/zinc/96/45/06/429964506.db2.gz OJUAHVRSYWMKCF-JENIJYKNSA-N 2 1 303.494 2.968 20 0 DFADMP CC(C)[NH+](C)C[C@H](C)N[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000573610545 429964509 /nfs/dbraw/zinc/96/45/09/429964509.db2.gz OJUAHVRSYWMKCF-JENIJYKNSA-N 2 1 303.494 2.968 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CCC2(C1)CC[NH+](C)CC2 ZINC000639754693 429969989 /nfs/dbraw/zinc/96/99/89/429969989.db2.gz DMOVFRBBDKWXAM-SJLPKXTDSA-N 2 1 302.462 2.569 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3nccn3-c3ccccc3)C2)CC1 ZINC000639754721 429971123 /nfs/dbraw/zinc/97/11/23/429971123.db2.gz DWJWEEXLNSJJST-UHFFFAOYSA-N 2 1 310.445 2.790 20 0 DFADMP CO[C@@H](C[N@H+]1CCC2(C1)CC[NH+](C)CC2)c1ccc(F)cc1 ZINC000639756211 429971559 /nfs/dbraw/zinc/97/15/59/429971559.db2.gz RSBDPJXZGRBFFZ-KRWDZBQOSA-N 2 1 306.425 2.931 20 0 DFADMP CC(C)O[C@@H](C[N@@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766832 429971767 /nfs/dbraw/zinc/97/17/67/429971767.db2.gz PBRCZVJLVCJXRP-OALUTQOASA-N 2 1 320.477 2.541 20 0 DFADMP CC(C)O[C@@H](C[N@H+]1CCC[C@](O)(C[NH+](C)C)C1)c1ccccc1 ZINC000639766832 429971769 /nfs/dbraw/zinc/97/17/69/429971769.db2.gz PBRCZVJLVCJXRP-OALUTQOASA-N 2 1 320.477 2.541 20 0 DFADMP C[NH+]1CCC2(CC[N@@H+](Cc3nc(-c4ccccc4)no3)C2)CC1 ZINC000639764357 429972633 /nfs/dbraw/zinc/97/26/33/429972633.db2.gz VNAFXRLNKMLRHO-UHFFFAOYSA-N 2 1 312.417 2.654 20 0 DFADMP C(c1nc(C2CCCC2)no1)[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000557337948 429936914 /nfs/dbraw/zinc/93/69/14/429936914.db2.gz HCNKWEUUQYPIBM-OAHLLOKOSA-N 2 1 304.438 2.691 20 0 DFADMP CCc1nc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H](c3ccccc3)C2)no1 ZINC000557336343 429937552 /nfs/dbraw/zinc/93/75/52/429937552.db2.gz PEWRVQHPEOVHRW-JKSUJKDBSA-N 2 1 314.433 2.600 20 0 DFADMP CCc1nc(CC[NH2+][C@H]2CC[N@@H+](C)[C@@H](c3ccccc3)C2)no1 ZINC000557336343 429937559 /nfs/dbraw/zinc/93/75/59/429937559.db2.gz PEWRVQHPEOVHRW-JKSUJKDBSA-N 2 1 314.433 2.600 20 0 DFADMP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H]2CC[NH2+][C@H](c3ccccc3)C2)CC1 ZINC000573305627 429942750 /nfs/dbraw/zinc/94/27/50/429942750.db2.gz FGEHQTRSAWNHHF-CAMMJAKZSA-N 3 1 301.478 2.834 20 0 DFADMP c1[nH]nc2cc(C[N@H+]3CCCN(c4cc[nH+]cc4)CC3)ccc12 ZINC000639684521 429946848 /nfs/dbraw/zinc/94/68/48/429946848.db2.gz WAEMVLMXZBUYMS-UHFFFAOYSA-N 2 1 307.401 2.670 20 0 DFADMP CCC1([NH+]2CCCC2)CC[NH+](CCC(=O)N2CCC[C@@H]2C)CC1 ZINC000639985558 430043935 /nfs/dbraw/zinc/04/39/35/430043935.db2.gz AAYVSUKRODHNLX-KRWDZBQOSA-N 2 1 321.509 2.728 20 0 DFADMP CC1(C)CCC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C(N)=O)C2)CC1 ZINC000573935421 429996665 /nfs/dbraw/zinc/99/66/65/429996665.db2.gz FNIUHEKYKTULRO-HZPDHXFCSA-N 2 1 309.498 2.522 20 0 DFADMP CC[NH+](CC)[C@H](CNC(=O)C[N@H+]1CCC(C)(C)C1)c1ccco1 ZINC000560097508 430021354 /nfs/dbraw/zinc/02/13/54/430021354.db2.gz NGNDCXCAUVIXHC-OAHLLOKOSA-N 2 1 321.465 2.511 20 0 DFADMP C[N@@H+]1CCC[C@H]1CN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917538 430023305 /nfs/dbraw/zinc/02/33/05/430023305.db2.gz HJMGFPOCQCBSGA-WFASDCNBSA-N 2 1 300.805 2.586 20 0 DFADMP C[N@H+]1CCC[C@H]1CN[C@@H](CCO)c1ccc(Cl)c(F)c1 ZINC000639917538 430023309 /nfs/dbraw/zinc/02/33/09/430023309.db2.gz HJMGFPOCQCBSGA-WFASDCNBSA-N 2 1 300.805 2.586 20 0 DFADMP CC1(C)C[NH2+]CC[C@H]([NH2+][C@H]2CCN[C@H](c3ccccc3)C2)C1 ZINC000634734071 430094111 /nfs/dbraw/zinc/09/41/11/430094111.db2.gz WECLZCAXNMWFEO-BZSNNMDCSA-N 2 1 301.478 2.848 20 0 DFADMP C[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1ccoc1 ZINC000561785859 430098923 /nfs/dbraw/zinc/09/89/23/430098923.db2.gz RDQPONUIAGWNDE-AWEZNQCLSA-N 2 1 303.406 2.856 20 0 DFADMP CC(C)(C)c1ncc2c(n1)CC[N@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000530225257 430104885 /nfs/dbraw/zinc/10/48/85/430104885.db2.gz UYQZJJTWWQRHKM-CQSZACIVSA-N 2 1 302.466 2.522 20 0 DFADMP c1sc(C2CC2)nc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530242991 430107518 /nfs/dbraw/zinc/10/75/18/430107518.db2.gz WCTCZTXIMVZKOF-INIZCTEOSA-N 2 1 321.490 2.611 20 0 DFADMP Fc1cccc(F)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530239290 430107829 /nfs/dbraw/zinc/10/78/29/430107829.db2.gz DRZYVMRTSCMWLC-CQSZACIVSA-N 2 1 310.388 2.555 20 0 DFADMP COc1cc2c(cc1C[N@@H+](C)CC1CC[NH+](C)CC1)O[C@H](C)C2 ZINC000560513568 430052344 /nfs/dbraw/zinc/05/23/44/430052344.db2.gz WDVGMRWESZPFLB-CQSZACIVSA-N 2 1 318.461 2.792 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2C[C@H]2c2ccccc2)CC[N@H+](Cc2ccccc2)C1 ZINC000634643554 430063557 /nfs/dbraw/zinc/06/35/57/430063557.db2.gz DRBXLUMTVMLBFA-HBMCJLEFSA-N 2 1 322.452 2.769 20 0 DFADMP O[C@]1(C[NH2+][C@@H]2C[C@H]2c2ccccc2)CC[N@@H+](Cc2ccccc2)C1 ZINC000634643554 430063561 /nfs/dbraw/zinc/06/35/61/430063561.db2.gz DRBXLUMTVMLBFA-HBMCJLEFSA-N 2 1 322.452 2.769 20 0 DFADMP CC(C)[N@H+]1CC[C@@H](CNC(=O)C[C@H](c2ccccc2)[NH+](C)C)C1 ZINC000561074575 430074931 /nfs/dbraw/zinc/07/49/31/430074931.db2.gz UVEATJRAGJRSNM-FUHWJXTLSA-N 2 1 317.477 2.526 20 0 DFADMP C[C@@H](C[NH2+][C@@H](C)c1cncc(Br)c1)C[NH+](C)C ZINC000580785865 430153198 /nfs/dbraw/zinc/15/31/98/430153198.db2.gz QOTTYDKIEDNXAL-QWRGUYRKSA-N 2 1 300.244 2.692 20 0 DFADMP CCCCCNC(=O)CC1([NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000637867132 430153908 /nfs/dbraw/zinc/15/39/08/430153908.db2.gz GIDQIPVBNHEAIJ-UHFFFAOYSA-N 2 1 317.477 2.676 20 0 DFADMP CCC[N@@H+](CC)C[C@@H](C)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000562348638 430122695 /nfs/dbraw/zinc/12/26/95/430122695.db2.gz SEYMRAATTPDSBQ-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000562348638 430122697 /nfs/dbraw/zinc/12/26/97/430122697.db2.gz SEYMRAATTPDSBQ-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP CCC[NH+](CC)C[C@@H](C)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000562348638 430122700 /nfs/dbraw/zinc/12/27/00/430122700.db2.gz SEYMRAATTPDSBQ-MRXNPFEDSA-N 2 1 311.514 2.878 20 0 DFADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)c(C)n1 ZINC000530694037 430122775 /nfs/dbraw/zinc/12/27/75/430122775.db2.gz KQDSMBHHJADPRY-UKRRQHHQSA-N 2 1 318.465 2.536 20 0 DFADMP COc1ncc(C[NH2+][C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)c(C)n1 ZINC000530694037 430122778 /nfs/dbraw/zinc/12/27/78/430122778.db2.gz KQDSMBHHJADPRY-UKRRQHHQSA-N 2 1 318.465 2.536 20 0 DFADMP C[N@H+](Cc1ccccc1)CC1CCN(CC23CC(C2)C[NH2+]3)CC1 ZINC000634992196 430186230 /nfs/dbraw/zinc/18/62/30/430186230.db2.gz HTPFRCIGDAFGTA-UHFFFAOYSA-N 2 1 313.489 2.582 20 0 DFADMP C[N@H+]1CCC[C@@H]1CC[NH+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285965780 277061814 /nfs/dbraw/zinc/06/18/14/277061814.db2.gz NHMZVRORXZWFRX-UAFMIMERSA-N 2 1 314.473 2.975 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285965780 277061815 /nfs/dbraw/zinc/06/18/15/277061815.db2.gz NHMZVRORXZWFRX-UAFMIMERSA-N 2 1 314.473 2.975 20 0 DFADMP C[NH+]1CCC[C@@H]1CC[N@H+]1C[C@H](c2ccccc2)[C@H]2COCC[C@H]21 ZINC000285965780 277061816 /nfs/dbraw/zinc/06/18/16/277061816.db2.gz NHMZVRORXZWFRX-UAFMIMERSA-N 2 1 314.473 2.975 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979677 430194838 /nfs/dbraw/zinc/19/48/38/430194838.db2.gz UZIQIPQFXNEHBI-WBVHZDCISA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@H]1CCC[NH+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979677 430194840 /nfs/dbraw/zinc/19/48/40/430194840.db2.gz UZIQIPQFXNEHBI-WBVHZDCISA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979677 430194841 /nfs/dbraw/zinc/19/48/41/430194841.db2.gz UZIQIPQFXNEHBI-WBVHZDCISA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@H]1CCC[N@@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000637979677 430194845 /nfs/dbraw/zinc/19/48/45/430194845.db2.gz UZIQIPQFXNEHBI-WBVHZDCISA-N 2 1 303.450 2.874 20 0 DFADMP CC(=O)Oc1ccc(C[NH+]2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1 ZINC000139995152 277094476 /nfs/dbraw/zinc/09/44/76/277094476.db2.gz WTPUJORLTWSHOP-SJLPKXTDSA-N 2 1 302.418 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139995152 277094478 /nfs/dbraw/zinc/09/44/78/277094478.db2.gz WTPUJORLTWSHOP-SJLPKXTDSA-N 2 1 302.418 2.528 20 0 DFADMP CC(=O)Oc1ccc(C[N@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)cc1 ZINC000139995152 277094480 /nfs/dbraw/zinc/09/44/80/277094480.db2.gz WTPUJORLTWSHOP-SJLPKXTDSA-N 2 1 302.418 2.528 20 0 DFADMP Nc1ccc(-c2cccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)[NH2+]4)n2)cc1 ZINC000634994626 430188178 /nfs/dbraw/zinc/18/81/78/430188178.db2.gz JDRYRTIGLAVSFO-BYICEURKSA-N 2 1 308.429 2.703 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000634999764 430189568 /nfs/dbraw/zinc/18/95/68/430189568.db2.gz YSHNQNNPDICUQP-ZYHUDNBSSA-N 2 1 320.330 2.793 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccc(OCC(F)(F)F)c(F)c2)C[C@H]1C[NH3+] ZINC000634999764 430189573 /nfs/dbraw/zinc/18/95/73/430189573.db2.gz YSHNQNNPDICUQP-ZYHUDNBSSA-N 2 1 320.330 2.793 20 0 DFADMP Cc1nn(Cc2ccccc2)c(C)c1C[N@@H+]1C[C@H](C)[C@@H](C[NH3+])C1 ZINC000634999243 430190353 /nfs/dbraw/zinc/19/03/53/430190353.db2.gz RLGFVUYDXYYXRY-KSSFIOAISA-N 2 1 312.461 2.575 20 0 DFADMP CCC[C@H](C)NC(=O)[C@H](C)[N@@H+](C)CCCC[NH+]1CCCCC1 ZINC000640530171 430191852 /nfs/dbraw/zinc/19/18/52/430191852.db2.gz AJAVMHSVGVVRRY-IRXDYDNUSA-N 2 1 311.514 2.878 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)C[C@@H](O)Cc1ccccc1 ZINC000640532943 430192081 /nfs/dbraw/zinc/19/20/81/430192081.db2.gz LOTYIMMPWDNQCT-IBGZPJMESA-N 2 1 304.478 2.788 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000635003825 430192117 /nfs/dbraw/zinc/19/21/17/430192117.db2.gz LYSPIOKNCOGVFH-HNJRGHQBSA-N 3 1 315.505 2.732 20 0 DFADMP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000635003825 430192122 /nfs/dbraw/zinc/19/21/22/430192122.db2.gz LYSPIOKNCOGVFH-HNJRGHQBSA-N 2 1 315.505 2.732 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH2+]CC[C@@H]1C ZINC000635003825 430192126 /nfs/dbraw/zinc/19/21/26/430192126.db2.gz LYSPIOKNCOGVFH-HNJRGHQBSA-N 2 1 315.505 2.732 20 0 DFADMP CC[C@H](NC[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)[C@@H]1CCC[NH2+]1 ZINC000635003757 430192426 /nfs/dbraw/zinc/19/24/26/430192426.db2.gz LIERFKPBDUBMAV-RNQOJCNYSA-N 2 1 315.505 2.875 20 0 DFADMP C[N@H+](CCCC[NH+]1CCCCC1)Cc1cc2n(n1)CCCC2 ZINC000640534767 430193368 /nfs/dbraw/zinc/19/33/68/430193368.db2.gz UTYWWTWCLJYEBW-UHFFFAOYSA-N 2 1 304.482 2.917 20 0 DFADMP C[N@@H+](CCCC[NH+]1CCCCC1)Cc1cc2n(n1)CCCC2 ZINC000640534767 430193372 /nfs/dbraw/zinc/19/33/72/430193372.db2.gz UTYWWTWCLJYEBW-UHFFFAOYSA-N 2 1 304.482 2.917 20 0 DFADMP C[C@@H](C[C@@H]1CCCCC[NH2+]1)NCc1cccc2c1CC[NH2+]C2 ZINC000635006096 430193915 /nfs/dbraw/zinc/19/39/15/430193915.db2.gz XLSAUZYLLUMSCT-YJBOKZPZSA-N 2 1 301.478 2.733 20 0 DFADMP CCc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)n1 ZINC000542019064 430200897 /nfs/dbraw/zinc/20/08/97/430200897.db2.gz FFDBYDDLUFSIRI-UKRRQHHQSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1cc(N[C@H](C)[C@@H]2CCC[N@@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019064 430200901 /nfs/dbraw/zinc/20/09/01/430200901.db2.gz FFDBYDDLUFSIRI-UKRRQHHQSA-N 2 1 302.466 3.412 20 0 DFADMP CCc1cc(N[C@H](C)[C@@H]2CCC[N@H+](C3CCC3)C2)nc(C)[nH+]1 ZINC000542019064 430200903 /nfs/dbraw/zinc/20/09/03/430200903.db2.gz FFDBYDDLUFSIRI-UKRRQHHQSA-N 2 1 302.466 3.412 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000581373096 430202136 /nfs/dbraw/zinc/20/21/36/430202136.db2.gz JIXKXIRMHBUSLF-XBXARRHUSA-N 2 1 314.473 2.916 20 0 DFADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@@H]2C)CCCCC1 ZINC000372486110 277187857 /nfs/dbraw/zinc/18/78/57/277187857.db2.gz HGDGWANMKOHOKH-RCCFBDPRSA-N 2 1 324.509 2.815 20 0 DFADMP COC1(C[NH2+][C@@H]2CC[N@@H+](C[C@H]3CCCO3)C[C@H]2C)CCCCC1 ZINC000372486107 277187927 /nfs/dbraw/zinc/18/79/27/277187927.db2.gz HGDGWANMKOHOKH-KZNAEPCWSA-N 2 1 324.509 2.815 20 0 DFADMP COC1CCC([NH2+]CC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000183163724 277193249 /nfs/dbraw/zinc/19/32/49/277193249.db2.gz BRFLWQHLUBBJDC-UHFFFAOYSA-N 2 1 310.482 2.569 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010794 430195919 /nfs/dbraw/zinc/19/59/19/430195919.db2.gz BJLNDSAKKLPQPG-QRQLOZEOSA-N 2 1 301.478 2.547 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@H](C)[C@@H]3CCC[NH2+]C3)C2)cc1 ZINC000635010794 430195922 /nfs/dbraw/zinc/19/59/22/430195922.db2.gz BJLNDSAKKLPQPG-QRQLOZEOSA-N 2 1 301.478 2.547 20 0 DFADMP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]Cc1cccc2c1CCOC2 ZINC000635013971 430197479 /nfs/dbraw/zinc/19/74/79/430197479.db2.gz XHRFNSORUHJOAA-FOIQADDNSA-N 2 1 310.441 2.807 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000635013011 430198687 /nfs/dbraw/zinc/19/86/87/430198687.db2.gz PVLLVDRAGONFQS-GBESFXJTSA-N 2 1 301.478 2.819 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](N[C@@H]3CCCCC[C@@H]3[NH3+])C2)cc1 ZINC000635013011 430198691 /nfs/dbraw/zinc/19/86/91/430198691.db2.gz PVLLVDRAGONFQS-GBESFXJTSA-N 2 1 301.478 2.819 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](CC3CCCC3)C2)[C@@H]1C ZINC000354490080 277326787 /nfs/dbraw/zinc/32/67/87/277326787.db2.gz BWWQSSYGLZUZSI-UBDQQSCGSA-N 2 1 322.493 2.818 20 0 DFADMP COC(=O)C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@@H+](CC3CCCC3)C2)[C@@H]1C ZINC000354490080 277326788 /nfs/dbraw/zinc/32/67/88/277326788.db2.gz BWWQSSYGLZUZSI-UBDQQSCGSA-N 2 1 322.493 2.818 20 0 DFADMP C[N@@H+](CCO)C1CCN(Cc2ccc(F)c3ccccc23)CC1 ZINC000638047531 430218912 /nfs/dbraw/zinc/21/89/12/430218912.db2.gz PHMAUEBLVHHTNF-UHFFFAOYSA-N 2 1 316.420 2.867 20 0 DFADMP CC(C)CCNC(=[NH2+])NC[C@@H]1CC[N@@H+](C)[C@@H]1c1cccs1 ZINC000370160095 277354947 /nfs/dbraw/zinc/35/49/47/277354947.db2.gz FODIYWQVMLDTER-ZFWWWQNUSA-N 2 1 308.495 2.901 20 0 DFADMP CC[NH2+][C@H](C)C(=O)NCc1ccccc1C[N@H+]1CCCC[C@@H]1C ZINC000638062986 430222948 /nfs/dbraw/zinc/22/29/48/430222948.db2.gz KVRVPGQFEFBJCZ-JKSUJKDBSA-N 2 1 317.477 2.675 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+][C@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000248818318 277392257 /nfs/dbraw/zinc/39/22/57/277392257.db2.gz VKJGFHHWQLKSBM-XWTMOSNGSA-N 2 1 306.494 2.902 20 0 DFADMP CC(C)C[N@H+]1CCC[C@H](C[NH2+][C@@H]2[C@H]3CCO[C@H]3C23CCC3)C1 ZINC000194118845 277397166 /nfs/dbraw/zinc/39/71/66/277397166.db2.gz VKJGFHHWQLKSBM-BRSBDYLESA-N 2 1 306.494 2.902 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000542484974 430213038 /nfs/dbraw/zinc/21/30/38/430213038.db2.gz CNOWGCBILMJPCX-MAUKXSAKSA-N 2 1 314.433 2.559 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000635280745 430244054 /nfs/dbraw/zinc/24/40/54/430244054.db2.gz WCCHVEACPSOMAT-ZBFHGGJFSA-N 2 1 323.506 2.589 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1CC[N@@H+](C)C1)c1ccsc1 ZINC000635280744 430245016 /nfs/dbraw/zinc/24/50/16/430245016.db2.gz WCCHVEACPSOMAT-HOCLYGCPSA-N 2 1 323.506 2.589 20 0 DFADMP CC[NH+](CC)Cc1ccc(C(=O)N[C@H](C)C[N@@H+](C)C(C)C)o1 ZINC000640727137 430247976 /nfs/dbraw/zinc/24/79/76/430247976.db2.gz JYVAUOKKEYVAFO-CQSZACIVSA-N 2 1 309.454 2.580 20 0 DFADMP Cc1scc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)c1C ZINC000638138205 430248057 /nfs/dbraw/zinc/24/80/57/430248057.db2.gz XTRCUQUAZQPOFX-KDOFPFPSSA-N 2 1 321.534 2.823 20 0 DFADMP Cc1scc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@@H](C)C2)c1C ZINC000638138206 430249399 /nfs/dbraw/zinc/24/93/99/430249399.db2.gz XTRCUQUAZQPOFX-KSSFIOAISA-N 2 1 321.534 2.823 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@@H+]1Cc1ccnn1CC1CCC1 ZINC000638146479 430250161 /nfs/dbraw/zinc/25/01/61/430250161.db2.gz OXNGUEIMUHVEQT-KRWDZBQOSA-N 2 1 313.449 2.853 20 0 DFADMP Cc1[nH+]ccn1C[C@@H]1CCC[N@H+]1Cc1ccnn1CC1CCC1 ZINC000638146479 430250164 /nfs/dbraw/zinc/25/01/64/430250164.db2.gz OXNGUEIMUHVEQT-KRWDZBQOSA-N 2 1 313.449 2.853 20 0 DFADMP C[C@H]1CCC[N@@H+](CCCCNC(=O)[C@@H]2CC[NH+]2C2CCCC2)C1 ZINC000635326088 430256166 /nfs/dbraw/zinc/25/61/66/430256166.db2.gz UFRZUOCYGXLTBQ-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000635326088 430256173 /nfs/dbraw/zinc/25/61/73/430256173.db2.gz UFRZUOCYGXLTBQ-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP C[C@H]1CCC[NH+](CCCCNC(=O)[C@@H]2CC[N@H+]2C2CCCC2)C1 ZINC000635326088 430256177 /nfs/dbraw/zinc/25/61/77/430256177.db2.gz UFRZUOCYGXLTBQ-WMZOPIPTSA-N 2 1 321.509 2.632 20 0 DFADMP [NH3+]Cc1ccc(NC(=O)[C@@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000638174176 430262831 /nfs/dbraw/zinc/26/28/31/430262831.db2.gz KTTDYVRWSGPNMZ-QGZVFWFLSA-N 2 1 309.413 2.606 20 0 DFADMP C[NH2+]Cc1ccc(NC(=O)[C@H]2CC[N@@H+](Cc3ccccc3)C2)cc1 ZINC000638254412 430285400 /nfs/dbraw/zinc/28/54/00/430285400.db2.gz FLOWWUGHNOSLQL-SFHVURJKSA-N 2 1 323.440 2.867 20 0 DFADMP O[C@H](C[NH2+]C1CC([NH+]2CCCCC2)C1)Cc1cccc(Cl)c1 ZINC000582236572 430280465 /nfs/dbraw/zinc/28/04/65/430280465.db2.gz CDJYGFMKCKFOQL-ABHNRTSZSA-N 2 1 322.880 2.850 20 0 DFADMP C[N@H+](CCCO)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638084501 430230588 /nfs/dbraw/zinc/23/05/88/430230588.db2.gz SIWFEWQNGUKDRR-UHFFFAOYSA-N 2 1 313.445 2.513 20 0 DFADMP C[N@@H+](CCCO)C1CC[NH+](Cc2cccc3ncccc23)CC1 ZINC000638084501 430230593 /nfs/dbraw/zinc/23/05/93/430230593.db2.gz SIWFEWQNGUKDRR-UHFFFAOYSA-N 2 1 313.445 2.513 20 0 DFADMP CC[C@@H](C)[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCOCC1)OC ZINC000638305434 430298723 /nfs/dbraw/zinc/29/87/23/430298723.db2.gz XLBYPMJVUWNTCM-APWZRJJASA-N 2 1 320.477 2.670 20 0 DFADMP CC[NH+]1CCN(CCCC[NH2+]CCc2ccc(C)cc2)CC1 ZINC000638360866 430316359 /nfs/dbraw/zinc/31/63/59/430316359.db2.gz WBSKIZSXZZJHEX-UHFFFAOYSA-N 2 1 303.494 2.545 20 0 DFADMP O=C([C@@H]1C[C@H]1c1cnc[nH]1)N(CC[NH+]1CCCC1)c1ccccc1 ZINC000635596169 430317752 /nfs/dbraw/zinc/31/77/52/430317752.db2.gz RGYFUYKXZZAXFZ-IAGOWNOFSA-N 2 1 324.428 2.642 20 0 DFADMP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@H+]2CCCC[C@@H]2C)[C@]12CCCO2 ZINC000638365459 430318808 /nfs/dbraw/zinc/31/88/08/430318808.db2.gz DGBPGHOIYXVYJH-WJFTUGDTSA-N 2 1 324.509 2.957 20 0 DFADMP COc1cc(C[NH2+]CCCC[N@@H+]2C[C@H](C)C[C@H](C)C2)sn1 ZINC000638372525 430320354 /nfs/dbraw/zinc/32/03/54/430320354.db2.gz XFOSXDAQDDFMEY-OKILXGFUSA-N 2 1 311.495 2.999 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000638378960 430323148 /nfs/dbraw/zinc/32/31/48/430323148.db2.gz UJFWXXRYEBYMJU-YJBOKZPZSA-N 2 1 319.493 2.537 20 0 DFADMP COC[C@H](C)C[NH+]1C[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582757238 430329621 /nfs/dbraw/zinc/32/96/21/430329621.db2.gz DCSCCYOEZHHVPY-BHIYHBOVSA-N 2 1 302.462 2.723 20 0 DFADMP COC[C@H](C)C[NH+]1C[C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000582757238 430329625 /nfs/dbraw/zinc/32/96/25/430329625.db2.gz DCSCCYOEZHHVPY-BHIYHBOVSA-N 2 1 302.462 2.723 20 0 DFADMP C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]C[C@]1([NH+](C)C)CCC[C@@H](C)C1 ZINC000638411165 430333218 /nfs/dbraw/zinc/33/32/18/430333218.db2.gz LLGFROGSQQJDLZ-CBZIJGRNSA-N 2 1 309.498 2.534 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@@H+](C(C)(C)CNCCCc2cnn(C)c2)C1 ZINC000638407298 430333445 /nfs/dbraw/zinc/33/34/45/430333445.db2.gz FGGMHYQLCNXGET-IYBDPMFKSA-N 2 1 306.498 2.699 20 0 DFADMP CC(C)O[C@@H](C[NH2+]CCC[NH+]1CCC(O)CC1)c1ccccc1 ZINC000638411110 430334094 /nfs/dbraw/zinc/33/40/94/430334094.db2.gz GBOFCWUDYYADIR-IBGZPJMESA-N 2 1 320.477 2.589 20 0 DFADMP CC[C@H](NCCC[N@@H+](C)Cc1ccccc1)c1ccn(C)n1 ZINC000582812974 430335055 /nfs/dbraw/zinc/33/50/55/430335055.db2.gz DJNZEIJTRDSQCJ-KRWDZBQOSA-N 2 1 300.450 2.983 20 0 DFADMP Cc1[nH+]ccn1CCC[NH+]1CCC([C@](C)(O)C(F)(F)F)CC1 ZINC000545932190 430335532 /nfs/dbraw/zinc/33/55/32/430335532.db2.gz SPNVQESRODSRIH-AWEZNQCLSA-N 2 1 319.371 2.607 20 0 DFADMP CCC[C@H](C[NH2+]Cc1cccc(C[N@H+]2CCO[C@@H](C)C2)c1)OC ZINC000638421412 430338094 /nfs/dbraw/zinc/33/80/94/430338094.db2.gz VFKHAYDIFPIGEL-QFBILLFUSA-N 2 1 320.477 2.812 20 0 DFADMP C[NH+]1CCN([C@H](C[NH2+][C@@H]2CCC23CCC3)c2cccs2)CC1 ZINC000582832938 430338173 /nfs/dbraw/zinc/33/81/73/430338173.db2.gz FVVBWWVCWAZJNX-NVXWUHKLSA-N 2 1 319.518 2.959 20 0 DFADMP C[C@H](CNC(=O)CC[N@@H+](C)C1CCCCC1)[NH+]1CCC(C)CC1 ZINC000546015700 430342971 /nfs/dbraw/zinc/34/29/71/430342971.db2.gz VYQDKZLIRZPUHZ-QGZVFWFLSA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638700680 430413225 /nfs/dbraw/zinc/41/32/25/430413225.db2.gz UJUUERKTMQXGAB-SZVBFZGTSA-N 2 1 302.462 2.963 20 0 DFADMP C[C@H](CCO)C[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000638700680 430413229 /nfs/dbraw/zinc/41/32/29/430413229.db2.gz UJUUERKTMQXGAB-SZVBFZGTSA-N 2 1 302.462 2.963 20 0 DFADMP C[N@@H+](CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1)C1CCCCC1 ZINC000547732625 430415957 /nfs/dbraw/zinc/41/59/57/430415957.db2.gz LHSAKGPTLDTHMJ-QGZVFWFLSA-N 2 1 321.509 2.585 20 0 DFADMP c1n[nH]c2c1CCC[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380973 430352467 /nfs/dbraw/zinc/35/24/67/430352467.db2.gz WARXSIQCJPHVFT-GPMSIDNRSA-N 2 1 324.428 2.633 20 0 DFADMP c1[nH]nc2c1CCC[C@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000568380973 430352470 /nfs/dbraw/zinc/35/24/70/430352470.db2.gz WARXSIQCJPHVFT-GPMSIDNRSA-N 2 1 324.428 2.633 20 0 DFADMP Nc1c(Cl)cc(Cl)cc1C[NH2+][C@H]1CCc2[nH+]ccn2C1 ZINC000638494905 430359408 /nfs/dbraw/zinc/35/94/08/430359408.db2.gz CLJKJCALVIPGFQ-NSHDSACASA-N 2 1 311.216 2.877 20 0 DFADMP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[NH2+]CC[C@@H]1c1ccc(F)cc1 ZINC000583078914 430361003 /nfs/dbraw/zinc/36/10/03/430361003.db2.gz ZNPRJJMZTRDBLI-JFRXWTBNSA-N 3 1 319.468 2.626 20 0 DFADMP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+]CCC[C@@H]3CCO3)C2)cc1 ZINC000638522094 430366608 /nfs/dbraw/zinc/36/66/08/430366608.db2.gz XAVLUODCPKGBTJ-RBUKOAKNSA-N 2 1 302.462 2.710 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CC[N@@H+](CCc3ccccc3)C2)sn1 ZINC000638521302 430366857 /nfs/dbraw/zinc/36/68/57/430366857.db2.gz GENSCDKQYBZRCB-INIZCTEOSA-N 2 1 301.459 2.797 20 0 DFADMP c1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)sn1 ZINC000638521302 430366860 /nfs/dbraw/zinc/36/68/60/430366860.db2.gz GENSCDKQYBZRCB-INIZCTEOSA-N 2 1 301.459 2.797 20 0 DFADMP CO[C@@](C)(C[NH2+]C[C@H]1CC[N@@H+](CCc2ccccc2)C1)C1CC1 ZINC000638521279 430367061 /nfs/dbraw/zinc/36/70/61/430367061.db2.gz FBPUQDMFUZGSMM-QUCCMNQESA-N 2 1 316.489 2.956 20 0 DFADMP Cc1cc(C[NH2+][C@H]2CCCN(c3cc(C)[nH+]c(C)n3)C2)sn1 ZINC000638532236 430370432 /nfs/dbraw/zinc/37/04/32/430370432.db2.gz KMDJWVUYGBNNCX-AWEZNQCLSA-N 2 1 317.462 2.617 20 0 DFADMP CC(C)[N@H+](C)Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000547001653 430376144 /nfs/dbraw/zinc/37/61/44/430376144.db2.gz MJTARCJJVTYOMV-UHFFFAOYSA-N 2 1 318.421 2.517 20 0 DFADMP CC(C)[N@@H+](C)Cc1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000547001653 430376149 /nfs/dbraw/zinc/37/61/49/430376149.db2.gz MJTARCJJVTYOMV-UHFFFAOYSA-N 2 1 318.421 2.517 20 0 DFADMP CC1=C(C)C[C@H]([C@@H](C)[NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000638570840 430378609 /nfs/dbraw/zinc/37/86/09/430378609.db2.gz HRVBDHCFBUMRTK-KURKYZTESA-N 2 1 321.509 2.688 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCCN1CCC([N@@H+]2CCOC[C@H]2C)CC1 ZINC000583330411 430387163 /nfs/dbraw/zinc/38/71/63/430387163.db2.gz YQIFIHUJFCADJW-ZHALLVOQSA-N 2 1 324.509 2.767 20 0 DFADMP C[C@@H]1CCCC[C@H]1OCCN1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000583330411 430387167 /nfs/dbraw/zinc/38/71/67/430387167.db2.gz YQIFIHUJFCADJW-ZHALLVOQSA-N 2 1 324.509 2.767 20 0 DFADMP C[NH+](C)CCOC1CCN(c2cc(C(C)(C)C)cc[nH+]2)CC1 ZINC000641370527 430390935 /nfs/dbraw/zinc/39/09/35/430390935.db2.gz CTNKRTVCDLMMMM-UHFFFAOYSA-N 2 1 305.466 2.926 20 0 DFADMP C[N@H+]1CC[C@H](CC(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC000635877061 430400861 /nfs/dbraw/zinc/40/08/61/430400861.db2.gz JGVDABCEYSYEQA-CQSZACIVSA-N 2 1 310.401 2.527 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000583499704 430401427 /nfs/dbraw/zinc/40/14/27/430401427.db2.gz VJMNSJNMKOCVJJ-RBUKOAKNSA-N 2 1 314.473 2.934 20 0 DFADMP O[C@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CCC1 ZINC000583499704 430401431 /nfs/dbraw/zinc/40/14/31/430401431.db2.gz VJMNSJNMKOCVJJ-RBUKOAKNSA-N 2 1 314.473 2.934 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCCC[N@@H+]3C)ccc21 ZINC000635996847 430434117 /nfs/dbraw/zinc/43/41/17/430434117.db2.gz JNYBVHHIISSLSJ-SJORKVTESA-N 2 1 301.434 2.658 20 0 DFADMP C[NH+](C)[C@@H]1CCc2cc(NC(=O)[C@@H]3CCCC[N@H+]3C)ccc21 ZINC000635996847 430434119 /nfs/dbraw/zinc/43/41/19/430434119.db2.gz JNYBVHHIISSLSJ-SJORKVTESA-N 2 1 301.434 2.658 20 0 DFADMP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000569256714 430436521 /nfs/dbraw/zinc/43/65/21/430436521.db2.gz LYXBLUNPLJKPOT-MRXNPFEDSA-N 2 1 315.461 2.870 20 0 DFADMP C[C@H](C[N@H+]1CCC[C@H](C)C1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000548060479 430443973 /nfs/dbraw/zinc/44/39/73/430443973.db2.gz AWSSODBNXBGMPH-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC000548060479 430443977 /nfs/dbraw/zinc/44/39/77/430443977.db2.gz AWSSODBNXBGMPH-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[C@H](C[NH+]1CCC[C@H](C)C1)NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC000548060479 430443983 /nfs/dbraw/zinc/44/39/83/430443983.db2.gz AWSSODBNXBGMPH-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP C[N@@H+](CCC[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1)Cc1ccccc1 ZINC000641707877 430449038 /nfs/dbraw/zinc/44/90/38/430449038.db2.gz NDIPPEQQGSKKRW-UHFFFAOYSA-N 2 1 324.428 2.880 20 0 DFADMP [NH3+]CCCCC(=O)N[C@@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638851474 430454793 /nfs/dbraw/zinc/45/47/93/430454793.db2.gz LUOQEDZTDHJJGR-GOSISDBHSA-N 2 1 317.477 2.676 20 0 DFADMP C[C@H]([NH3+])[C@H](C)C(=O)N[C@H]1CCCCC[N@@H+](Cc2ccccc2)C1 ZINC000638850698 430455548 /nfs/dbraw/zinc/45/55/48/430455548.db2.gz GTEAKSLSFPBNSL-BQFCYCMXSA-N 2 1 317.477 2.531 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569483943 430459611 /nfs/dbraw/zinc/45/96/11/430459611.db2.gz ZBNRRBCZVKSAPI-ZWKOTPCHSA-N 2 1 302.462 2.790 20 0 DFADMP CC(C)[C@@H](CO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000569483943 430459614 /nfs/dbraw/zinc/45/96/14/430459614.db2.gz ZBNRRBCZVKSAPI-ZWKOTPCHSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1)[NH+](C)C ZINC000638867173 430460360 /nfs/dbraw/zinc/46/03/60/430460360.db2.gz YZRAWBIDCTYJJM-SUMDDJOVSA-N 2 1 301.478 2.894 20 0 DFADMP C[C@H](CN[C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1)[NH+](C)C ZINC000638867174 430460603 /nfs/dbraw/zinc/46/06/03/430460603.db2.gz YZRAWBIDCTYJJM-SZVBFZGTSA-N 2 1 301.478 2.894 20 0 DFADMP CC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCC[N@H+]1Cc1cccc(Cl)c1 ZINC000584111061 430460664 /nfs/dbraw/zinc/46/06/64/430460664.db2.gz JCJPXJZGMJOZTD-JKSUJKDBSA-N 2 1 323.868 2.548 20 0 DFADMP CCOC(=O)C1(C)CCC([NH2+]C[C@H]2CC[N@H+](C(C)C)C2)CC1 ZINC000569507125 430461043 /nfs/dbraw/zinc/46/10/43/430461043.db2.gz BITSWJTWNDQLTH-KLHKWILBSA-N 2 1 310.482 2.818 20 0 DFADMP Cc1cc(N2CCC([NH2+][C@@H]3CS[C@@H](C)C3)CC2)nc(C)[nH+]1 ZINC000638873886 430463460 /nfs/dbraw/zinc/46/34/60/430463460.db2.gz MTRYYBFLKAACEP-WFASDCNBSA-N 2 1 306.479 2.546 20 0 DFADMP O=C(N[C@H]1C[C@@H]([NH+]2CCCC2)C1)[C@@H]1CCCC[N@H+]1C1CCCC1 ZINC000636110578 430463859 /nfs/dbraw/zinc/46/38/59/430463859.db2.gz DFAOOPHABGHDGJ-JQHSSLGASA-N 2 1 319.493 2.527 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccccc1CN1CCCC1=O ZINC000569566626 430466389 /nfs/dbraw/zinc/46/63/89/430466389.db2.gz FBKRPDHCJQTGPR-ZWKOTPCHSA-N 2 1 315.461 2.559 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CNCCC[NH+]1CCC1 ZINC000584182945 430466953 /nfs/dbraw/zinc/46/69/53/430466953.db2.gz QBFJLDOKQBPYNT-UHFFFAOYSA-N 2 1 303.494 2.830 20 0 DFADMP C[C@@H](CC[NH2+]Cc1c[nH]c2ncncc12)[N@@H+](C)Cc1ccccc1 ZINC000638726908 430419392 /nfs/dbraw/zinc/41/93/92/430419392.db2.gz WYYZULJLKJCXGT-HNNXBMFYSA-N 2 1 323.444 2.910 20 0 DFADMP CN1CC[N@@H+](Cc2ccc3c(c2)C[NH2+]CC3)C2(CCCCC2)C1 ZINC000583697927 430420612 /nfs/dbraw/zinc/42/06/12/430420612.db2.gz CYGNAMJBVCTRAJ-UHFFFAOYSA-N 2 1 313.489 2.783 20 0 DFADMP C[N@@H+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C2(CCCCC2)C1 ZINC000583697927 430420614 /nfs/dbraw/zinc/42/06/14/430420614.db2.gz CYGNAMJBVCTRAJ-UHFFFAOYSA-N 2 1 313.489 2.783 20 0 DFADMP C[N@H+]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C2(CCCCC2)C1 ZINC000583697927 430420615 /nfs/dbraw/zinc/42/06/15/430420615.db2.gz CYGNAMJBVCTRAJ-UHFFFAOYSA-N 2 1 313.489 2.783 20 0 DFADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583752554 430425749 /nfs/dbraw/zinc/42/57/49/430425749.db2.gz PMSCOIPBPXAQDF-RCCFBDPRSA-N 2 1 314.473 2.933 20 0 DFADMP CC1(C)[C@H](O)C[C@H]1[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000583752554 430425751 /nfs/dbraw/zinc/42/57/51/430425751.db2.gz PMSCOIPBPXAQDF-RCCFBDPRSA-N 2 1 314.473 2.933 20 0 DFADMP CCN(C[C@H]1CCC[N@H+]1CC)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000583789575 430427622 /nfs/dbraw/zinc/42/76/22/430427622.db2.gz NNIDXWRHEMVVTF-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000583789575 430427626 /nfs/dbraw/zinc/42/76/26/430427626.db2.gz NNIDXWRHEMVVTF-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP CCN(C[C@H]1CCC[NH+]1CC)C(=O)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000583789575 430427628 /nfs/dbraw/zinc/42/76/28/430427628.db2.gz NNIDXWRHEMVVTF-MSOLQXFVSA-N 2 1 321.509 2.726 20 0 DFADMP Cc1nn(-c2ccncc2)cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000569200177 430432469 /nfs/dbraw/zinc/43/24/69/430432469.db2.gz UOYPBUJWHVHWNV-AWEZNQCLSA-N 2 1 321.428 2.885 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@@H+](C[C@@H]3CCC4(CCCC4)O3)C2)C1 ZINC000641821669 430482998 /nfs/dbraw/zinc/48/29/98/430482998.db2.gz NZYHVLPQUJQARE-BDXSIMOUSA-N 2 1 322.493 2.697 20 0 DFADMP CCCc1nc(C)c(C[N@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)o1 ZINC000641823617 430483383 /nfs/dbraw/zinc/48/33/83/430483383.db2.gz STXDVZSMBVDLAG-HRCADAONSA-N 2 1 321.465 2.654 20 0 DFADMP CC[C@@](C)(C[NH2+]Cc1ccccc1C[N@H+]1CCC[C@@H]1CO)OC ZINC000638972563 430485198 /nfs/dbraw/zinc/48/51/98/430485198.db2.gz VGKNRBUVKZXRCV-MOPGFXCFSA-N 2 1 320.477 2.548 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@H+](CCC[C@H]3CCO3)C1)CCCC2 ZINC000639077406 430515796 /nfs/dbraw/zinc/51/57/96/430515796.db2.gz WKUMDZRZFBEOTI-CVEARBPZSA-N 2 1 303.450 2.886 20 0 DFADMP Cc1[nH+]c2c(n1[C@@H]1CC[N@@H+](CCC[C@H]3CCO3)C1)CCCC2 ZINC000639077406 430515801 /nfs/dbraw/zinc/51/58/01/430515801.db2.gz WKUMDZRZFBEOTI-CVEARBPZSA-N 2 1 303.450 2.886 20 0 DFADMP C[N@H+]1CCC[C@H](CC[NH2+]Cc2cnc(-c3ccccc3)nc2)C1 ZINC000570174923 430519639 /nfs/dbraw/zinc/51/96/39/430519639.db2.gz LHARHTMEHNCAQC-MRXNPFEDSA-N 2 1 310.445 2.965 20 0 DFADMP CCSc1cc(C[NH2+]C2CC[NH+](CC(C)(C)O)CC2)ccn1 ZINC000639094259 430520061 /nfs/dbraw/zinc/52/00/61/430520061.db2.gz QVIKOEDVACPIPZ-UHFFFAOYSA-N 2 1 323.506 2.519 20 0 DFADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[N@H+](C)C1CC1 ZINC000570202042 430522275 /nfs/dbraw/zinc/52/22/75/430522275.db2.gz AZCXCNRBYFYLRA-BJZITVGISA-N 2 1 302.462 2.745 20 0 DFADMP C[C@@H]1CCCc2ccccc2[C@H]1[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000570202042 430522280 /nfs/dbraw/zinc/52/22/80/430522280.db2.gz AZCXCNRBYFYLRA-BJZITVGISA-N 2 1 302.462 2.745 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@H+](CCOCC3CCC3)C2)c1 ZINC000642686747 430525228 /nfs/dbraw/zinc/52/52/28/430525228.db2.gz ZEPJDVQNMZLQQC-KRWDZBQOSA-N 2 1 303.450 2.941 20 0 DFADMP Cc1cc[nH+]c(NC[C@@H]2CC[N@@H+](CCOCC3CCC3)C2)c1 ZINC000642686747 430525232 /nfs/dbraw/zinc/52/52/32/430525232.db2.gz ZEPJDVQNMZLQQC-KRWDZBQOSA-N 2 1 303.450 2.941 20 0 DFADMP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CCn3cc[nH+]c3C2)C12CCCC2 ZINC000639107919 430527744 /nfs/dbraw/zinc/52/77/44/430527744.db2.gz USFMVRRRBKLGMI-HRCADAONSA-N 2 1 303.450 2.773 20 0 DFADMP CO[C@](C)(C[NH2+]C[C@H]1CC[N@@H+](Cc2ccccc2)C1)C1CC1 ZINC000639117501 430531244 /nfs/dbraw/zinc/53/12/44/430531244.db2.gz GYIXCJSKWIYEKO-IEBWSBKVSA-N 2 1 302.462 2.913 20 0 DFADMP CCOC1CC(C[NH2+]C[C@H]2CC[N@@H+](Cc3ccccc3)C2)C1 ZINC000639117507 430532538 /nfs/dbraw/zinc/53/25/38/430532538.db2.gz HDGQLEQXFUUMOH-LMDPOFIKSA-N 2 1 302.462 2.913 20 0 DFADMP O=C(CCN[C@@H]1CC[N@H+]2CCCC[C@H]12)Nc1cccc(Cl)c1 ZINC000570391241 430539886 /nfs/dbraw/zinc/53/98/86/430539886.db2.gz PLHSMIZOOAFJEG-HZPDHXFCSA-N 2 1 321.852 2.885 20 0 DFADMP O=C(CC[NH2+][C@@H]1CC[N@H+]2CCCC[C@H]12)Nc1cccc(Cl)c1 ZINC000570391241 430539894 /nfs/dbraw/zinc/53/98/94/430539894.db2.gz PLHSMIZOOAFJEG-HZPDHXFCSA-N 2 1 321.852 2.885 20 0 DFADMP COc1ccc(COCC[N@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1 ZINC000643064217 430548036 /nfs/dbraw/zinc/54/80/36/430548036.db2.gz XLPGSNNYAFOHBL-MJGOQNOKSA-N 2 1 318.461 2.676 20 0 DFADMP COc1cccc(OC)c1C[N@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000639176857 430555237 /nfs/dbraw/zinc/55/52/37/430555237.db2.gz LWBUZMKRWJEAGR-MRXNPFEDSA-N 2 1 318.461 2.868 20 0 DFADMP CC[N@@H+](CCC[NH+](C)C)[C@H]1CCc2cc(OC)c(OC)cc21 ZINC000639176321 430556510 /nfs/dbraw/zinc/55/65/10/430556510.db2.gz UTTVXNDSKGFOQG-INIZCTEOSA-N 2 1 306.450 2.965 20 0 DFADMP C[N@@H+](Cc1ccc2nccnc2c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639179191 430557462 /nfs/dbraw/zinc/55/74/62/430557462.db2.gz REXFWYTUZDXBFI-HNNXBMFYSA-N 2 1 307.401 2.521 20 0 DFADMP C[N@H+](Cc1ccc2nccnc2c1)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639179191 430557467 /nfs/dbraw/zinc/55/74/67/430557467.db2.gz REXFWYTUZDXBFI-HNNXBMFYSA-N 2 1 307.401 2.521 20 0 DFADMP COc1cccc(OC)c1C[N@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639177671 430559021 /nfs/dbraw/zinc/55/90/21/430559021.db2.gz BFCALZAOSBSRCF-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP COc1cccc(OC)c1C[N@@H+](C)C[C@H]1CCn2cc[nH+]c2C1 ZINC000639177671 430559025 /nfs/dbraw/zinc/55/90/25/430559025.db2.gz BFCALZAOSBSRCF-AWEZNQCLSA-N 2 1 315.417 2.595 20 0 DFADMP OC[C@H](CCF)[NH2+][C@H]1CC[N@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639295534 430601127 /nfs/dbraw/zinc/60/11/27/430601127.db2.gz MPMYBQFOXUFTCB-BQFCYCMXSA-N 2 1 306.425 2.665 20 0 DFADMP OC[C@H](CCF)[NH2+][C@H]1CC[N@@H+](C2CC2)[C@H](c2ccccc2)C1 ZINC000639295534 430601132 /nfs/dbraw/zinc/60/11/32/430601132.db2.gz MPMYBQFOXUFTCB-BQFCYCMXSA-N 2 1 306.425 2.665 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570681950 430566398 /nfs/dbraw/zinc/56/63/98/430566398.db2.gz KPONGYJEFRVPSM-XYJFISCASA-N 2 1 302.462 2.933 20 0 DFADMP C[C@H](O)C[C@H](C)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000570681950 430566402 /nfs/dbraw/zinc/56/64/02/430566402.db2.gz KPONGYJEFRVPSM-XYJFISCASA-N 2 1 302.462 2.933 20 0 DFADMP CC(C)C[C@@H](C[NH+]1CCCC1)[NH2+]Cc1c[nH]c2ncncc12 ZINC000639216761 430575668 /nfs/dbraw/zinc/57/56/68/430575668.db2.gz BLIPTESDXHKZGT-HNNXBMFYSA-N 2 1 301.438 2.510 20 0 DFADMP COc1ccc(C[C@@H](C)[NH2+]C[C@H]2CCC[N@@H+](C)C2)c(C)c1OC ZINC000552044962 430580653 /nfs/dbraw/zinc/58/06/53/430580653.db2.gz TTWVFGNAPLNTMT-GDBMZVCRSA-N 2 1 320.477 2.875 20 0 DFADMP CC(C)C[N@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000552062656 430582983 /nfs/dbraw/zinc/58/29/83/430582983.db2.gz CGDHHUSETGNKCB-FCGDIQPGSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000552062656 430582986 /nfs/dbraw/zinc/58/29/86/430582986.db2.gz CGDHHUSETGNKCB-FCGDIQPGSA-N 2 1 307.526 2.959 20 0 DFADMP CC(C)C[NH+]1CCCC[C@@H]1CN[C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000552062656 430582990 /nfs/dbraw/zinc/58/29/90/430582990.db2.gz CGDHHUSETGNKCB-FCGDIQPGSA-N 2 1 307.526 2.959 20 0 DFADMP C[C@@H]1CC[NH2+]C[C@H]1[NH2+]C[C@@H]1CCN(c2ccc(Cl)cc2)C1 ZINC000643453310 430601988 /nfs/dbraw/zinc/60/19/88/430601988.db2.gz ZVHJUVHCSURSSX-JKIFEVAISA-N 2 1 307.869 2.754 20 0 DFADMP C[C@@H]1CCC[C@](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)([NH+](C)C)C1 ZINC000552223295 430591657 /nfs/dbraw/zinc/59/16/57/430591657.db2.gz MMNAGPYQIJMRFD-ZRSRNVLSSA-N 2 1 307.526 2.959 20 0 DFADMP COc1cc(CNC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)sn1 ZINC000639285121 430597762 /nfs/dbraw/zinc/59/77/62/430597762.db2.gz BTLZQCUVFZZZCR-ZBFHGGJFSA-N 2 1 317.458 2.587 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)sn1 ZINC000639285121 430597764 /nfs/dbraw/zinc/59/77/64/430597764.db2.gz BTLZQCUVFZZZCR-ZBFHGGJFSA-N 2 1 317.458 2.587 20 0 DFADMP COc1cc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)sn1 ZINC000639285121 430597766 /nfs/dbraw/zinc/59/77/66/430597766.db2.gz BTLZQCUVFZZZCR-ZBFHGGJFSA-N 2 1 317.458 2.587 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639295542 430600381 /nfs/dbraw/zinc/60/03/81/430600381.db2.gz MPMYBQFOXUFTCB-SOLBZPMBSA-N 2 1 306.425 2.665 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CC[N@@H+](C2CC2)[C@@H](c2ccccc2)C1 ZINC000639295542 430600384 /nfs/dbraw/zinc/60/03/84/430600384.db2.gz MPMYBQFOXUFTCB-SOLBZPMBSA-N 2 1 306.425 2.665 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550793798 430545283 /nfs/dbraw/zinc/54/52/83/430545283.db2.gz AOTVYMSOUQAZQD-MLHJIOFPSA-N 2 1 316.445 2.753 20 0 DFADMP COC(=O)[C@H]1CC[C@@H]([NH2+][C@@H]2CC[N@@H+](C)[C@H](c3ccccc3)C2)C1 ZINC000550793798 430545286 /nfs/dbraw/zinc/54/52/86/430545286.db2.gz AOTVYMSOUQAZQD-MLHJIOFPSA-N 2 1 316.445 2.753 20 0 DFADMP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489468 430653598 /nfs/dbraw/zinc/65/35/98/430653598.db2.gz QXDJKXQTZIAMSC-NVXWUHKLSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC[NH+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489468 430653602 /nfs/dbraw/zinc/65/36/02/430653602.db2.gz QXDJKXQTZIAMSC-NVXWUHKLSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489468 430653605 /nfs/dbraw/zinc/65/36/05/430653605.db2.gz QXDJKXQTZIAMSC-NVXWUHKLSA-N 2 1 303.450 2.874 20 0 DFADMP C[C@@H]1CCCC[NH+]1C[C@@H]1CCC[N@@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000639489468 430653609 /nfs/dbraw/zinc/65/36/09/430653609.db2.gz QXDJKXQTZIAMSC-NVXWUHKLSA-N 2 1 303.450 2.874 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@@H+]1Cc1cccc2c1CCOC2 ZINC000639511579 430658860 /nfs/dbraw/zinc/65/88/60/430658860.db2.gz NWZVQOZZDSKQGV-GOSISDBHSA-N 2 1 311.429 2.929 20 0 DFADMP Cc1[nH+]ccn1C[C@H]1CCC[N@H+]1Cc1cccc2c1CCOC2 ZINC000639511579 430658863 /nfs/dbraw/zinc/65/88/63/430658863.db2.gz NWZVQOZZDSKQGV-GOSISDBHSA-N 2 1 311.429 2.929 20 0 DFADMP C[C@H]([NH2+]C[C@H](c1ccccc1)N1CCCC1)[C@H]1CCC[NH2+]C1 ZINC000643454234 430602817 /nfs/dbraw/zinc/60/28/17/430602817.db2.gz OEQNMJLBAWHCNZ-YTQUADARSA-N 2 1 301.478 2.801 20 0 DFADMP Cc1ccccc1CN1CCC([NH2+][C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000643463495 430603824 /nfs/dbraw/zinc/60/38/24/430603824.db2.gz GXZNIDPTKBDMTC-ROUUACIJSA-N 2 1 315.505 2.937 20 0 DFADMP CC[N@@H+](Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C[C@@H]2C)cc1)C1CC1 ZINC000571101779 430603838 /nfs/dbraw/zinc/60/38/38/430603838.db2.gz CSLSMLYPMLIFHI-WMLDXEAASA-N 2 1 315.461 2.623 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)N[C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480371 430607811 /nfs/dbraw/zinc/60/78/11/430607811.db2.gz CJMAJVYWXOAPAF-PLOWYNNNSA-N 2 1 301.478 2.612 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480371 430607812 /nfs/dbraw/zinc/60/78/12/430607812.db2.gz CJMAJVYWXOAPAF-PLOWYNNNSA-N 3 1 301.478 2.612 20 0 DFADMP C[C@H]([NH3+])C[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000643480371 430607814 /nfs/dbraw/zinc/60/78/14/430607814.db2.gz CJMAJVYWXOAPAF-PLOWYNNNSA-N 3 1 301.478 2.612 20 0 DFADMP Fc1ccc(N2CCC([NH2+]C[C@@H]3CCCC[NH2+]3)CC2)c(F)c1 ZINC000643501491 430609808 /nfs/dbraw/zinc/60/98/08/430609808.db2.gz IVAMZKRHGBSVQL-HNNXBMFYSA-N 2 1 309.404 2.665 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639334160 430612069 /nfs/dbraw/zinc/61/20/69/430612069.db2.gz ADBVQFOQWZUJTD-BVSRCJTMSA-N 2 1 300.446 2.715 20 0 DFADMP OCC1CC([NH2+][C@@H]2CC[N@@H+](C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639334160 430612072 /nfs/dbraw/zinc/61/20/72/430612072.db2.gz ADBVQFOQWZUJTD-BVSRCJTMSA-N 2 1 300.446 2.715 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CC[NH2+]C3(CCC3)C2)C[N@H+]1Cc1ccccc1 ZINC000643545951 430616266 /nfs/dbraw/zinc/61/62/66/430616266.db2.gz FYEGNDVXLXDMDK-QRQLOZEOSA-N 2 1 313.489 2.914 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)CN1Cc1ccccc1 ZINC000643545951 430616267 /nfs/dbraw/zinc/61/62/67/430616267.db2.gz FYEGNDVXLXDMDK-QRQLOZEOSA-N 2 1 313.489 2.914 20 0 DFADMP CO[C@H](C[NH2+]C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@@H]1C)C1CC1 ZINC000639359407 430619528 /nfs/dbraw/zinc/61/95/28/430619528.db2.gz MGFABKKLWUWVGO-KFKAGJAMSA-N 2 1 302.462 2.769 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H]1C[NH2+]CCC[C@@H]1CCO1 ZINC000639359628 430619775 /nfs/dbraw/zinc/61/97/75/430619775.db2.gz OLSHRRJRQOJZBL-BHIYHBOVSA-N 2 1 302.462 2.913 20 0 DFADMP CC(C)[C@H](CO)C[NH2+][C@@H](C)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000554085286 430627704 /nfs/dbraw/zinc/62/77/04/430627704.db2.gz FUTXDZJHISTAFF-WDSOQIARSA-N 2 1 304.478 2.751 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4CCOC4)[C@H]3C2)cc1 ZINC000643910779 430641895 /nfs/dbraw/zinc/64/18/95/430641895.db2.gz AHZMTGDJCSGZDK-ZSYWTGECSA-N 2 1 300.446 2.666 20 0 DFADMP C[C@@H]1C[NH+](Cc2ccc(C[NH+]3CCOCC3)cc2)C[C@@H](C)S1 ZINC000571631522 430642326 /nfs/dbraw/zinc/64/23/26/430642326.db2.gz HFHTZEROVKSAAB-HZPDHXFCSA-N 2 1 320.502 2.845 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2cccc(NCc3cccc4nccn43)c2)C1 ZINC000555244672 430663005 /nfs/dbraw/zinc/66/30/05/430663005.db2.gz MQTUXBZZOHPEMT-GOSISDBHSA-N 2 1 322.412 2.513 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])CC1 ZINC000572359235 430683866 /nfs/dbraw/zinc/68/38/66/430683866.db2.gz AEEIBZAFTFOGRU-ROUUACIJSA-N 2 1 323.525 2.863 20 0 DFADMP O[C@]1(C[NH+]2CCC(C(F)F)CC2)CC[N@H+](Cc2ccccc2)C1 ZINC000639518571 430662507 /nfs/dbraw/zinc/66/25/07/430662507.db2.gz JVWAFWFGBQUKKV-SFHVURJKSA-N 2 1 324.415 2.601 20 0 DFADMP O[C@]1(C[NH+]2CCC(C(F)F)CC2)CC[N@@H+](Cc2ccccc2)C1 ZINC000639518571 430662508 /nfs/dbraw/zinc/66/25/08/430662508.db2.gz JVWAFWFGBQUKKV-SFHVURJKSA-N 2 1 324.415 2.601 20 0 DFADMP C[N@@H+]1CCC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[C@H]1c1cccs1 ZINC000572393659 430685642 /nfs/dbraw/zinc/68/56/42/430685642.db2.gz SHNDOEYGSMDDAT-WXHSDQCUSA-N 2 1 322.396 2.644 20 0 DFADMP C[N@H+]1CCC[C@H](C[NH2+]C[C@H](O)C(F)(F)F)[C@H]1c1cccs1 ZINC000572393659 430685644 /nfs/dbraw/zinc/68/56/44/430685644.db2.gz SHNDOEYGSMDDAT-WXHSDQCUSA-N 2 1 322.396 2.644 20 0 DFADMP CSC1(C[N@@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000283849268 278123927 /nfs/dbraw/zinc/12/39/27/278123927.db2.gz DIQSYJDQDIKSGN-MRXNPFEDSA-N 2 1 305.491 2.731 20 0 DFADMP CSC1(C[N@H+]2CC[C@H](C[NH+](C)Cc3cccnc3)C2)CC1 ZINC000283849268 278123928 /nfs/dbraw/zinc/12/39/28/278123928.db2.gz DIQSYJDQDIKSGN-MRXNPFEDSA-N 2 1 305.491 2.731 20 0 DFADMP CSC1(C[NH+]2CC[C@H](C[N@H+](C)Cc3cccnc3)C2)CC1 ZINC000283849268 278123929 /nfs/dbraw/zinc/12/39/29/278123929.db2.gz DIQSYJDQDIKSGN-MRXNPFEDSA-N 2 1 305.491 2.731 20 0 DFADMP CSC1(C[NH+]2CC[C@H](C[N@@H+](C)Cc3cccnc3)C2)CC1 ZINC000283849268 278123930 /nfs/dbraw/zinc/12/39/30/278123930.db2.gz DIQSYJDQDIKSGN-MRXNPFEDSA-N 2 1 305.491 2.731 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358826717 278131871 /nfs/dbraw/zinc/13/18/71/278131871.db2.gz MMGJWJBILBYTJG-CGTJXYLNSA-N 2 1 322.518 2.743 20 0 DFADMP CSCC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000358826717 278131874 /nfs/dbraw/zinc/13/18/74/278131874.db2.gz MMGJWJBILBYTJG-CGTJXYLNSA-N 2 1 322.518 2.743 20 0 DFADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@]1(O)CC[N@H+](C)C1 ZINC000358250911 278296930 /nfs/dbraw/zinc/29/69/30/278296930.db2.gz LVGKKTZNKINTLC-XHDPSFHLSA-N 2 1 317.260 2.581 20 0 DFADMP C[C@@H](Cc1c(Cl)cccc1Cl)[NH2+]C[C@]1(O)CC[N@@H+](C)C1 ZINC000358250911 278296931 /nfs/dbraw/zinc/29/69/31/278296931.db2.gz LVGKKTZNKINTLC-XHDPSFHLSA-N 2 1 317.260 2.581 20 0 DFADMP C[C@H](c1ccccc1F)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177376706 278312474 /nfs/dbraw/zinc/31/24/74/278312474.db2.gz YDDCWKCNULAZGV-OAHLLOKOSA-N 2 1 307.457 2.845 20 0 DFADMP C[C@H](c1ccccc1F)[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000177376706 278312477 /nfs/dbraw/zinc/31/24/77/278312477.db2.gz YDDCWKCNULAZGV-OAHLLOKOSA-N 2 1 307.457 2.845 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000261539718 278334529 /nfs/dbraw/zinc/33/45/29/278334529.db2.gz DBBOAPHHHQZRQC-SVUBNXHSSA-N 3 1 301.478 2.757 20 0 DFADMP C[C@@H]([NH2+]C1CCC([NH3+])CC1)[C@H]1CCN(Cc2ccccc2)C1 ZINC000261539718 278334530 /nfs/dbraw/zinc/33/45/30/278334530.db2.gz DBBOAPHHHQZRQC-SVUBNXHSSA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]([NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1)[C@@H]1CCCO1 ZINC000152878630 278335666 /nfs/dbraw/zinc/33/56/66/278335666.db2.gz NWJWXDVIZYILHH-BEFAXECRSA-N 2 1 320.452 2.990 20 0 DFADMP C[C@@H]([NH2+]CCC[N@H+]1CCC[C@H](C(N)=O)C1)[C@H](C)C1CCCCC1 ZINC000128066047 278345348 /nfs/dbraw/zinc/34/53/48/278345348.db2.gz GVSUZWVDCIBOKA-JZXOWHBKSA-N 2 1 323.525 2.768 20 0 DFADMP CN(C)c1cc[nH+]cc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657677726 430703769 /nfs/dbraw/zinc/70/37/69/430703769.db2.gz GUDAABBMWMVOCM-INIZCTEOSA-N 2 1 302.466 2.644 20 0 DFADMP CN(C)c1cc[nH+]cc1CN[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000657677726 430703773 /nfs/dbraw/zinc/70/37/73/430703773.db2.gz GUDAABBMWMVOCM-INIZCTEOSA-N 2 1 302.466 2.644 20 0 DFADMP c1ccc(C2CC2)c(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)c1 ZINC000657750121 430725435 /nfs/dbraw/zinc/72/54/35/430725435.db2.gz AMRWEEKUQYSTED-GOSISDBHSA-N 2 1 300.446 2.907 20 0 DFADMP Cc1cc(F)c(C[NH2+]C2CCN([C@H]3CCOC3)CC2)c(F)c1 ZINC000657751385 430725822 /nfs/dbraw/zinc/72/58/22/430725822.db2.gz HWXOYQNIZJAGSC-AWEZNQCLSA-N 2 1 310.388 2.616 20 0 DFADMP COC1([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCOCC2)CCC1 ZINC000657823550 430745769 /nfs/dbraw/zinc/74/57/69/430745769.db2.gz MSPAHQKMEDIPNO-MRXNPFEDSA-N 2 1 318.461 2.566 20 0 DFADMP CCC[N@@H+]1CCC[C@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000644546366 430747810 /nfs/dbraw/zinc/74/78/10/430747810.db2.gz PYPRUOHBUFOZBI-GPANFISMSA-N 2 1 306.454 2.868 20 0 DFADMP CCC[N@H+]1CCC[C@H]1C[NH2+]C1CCC(c2nc(C)no2)CC1 ZINC000644546366 430747816 /nfs/dbraw/zinc/74/78/16/430747816.db2.gz PYPRUOHBUFOZBI-GPANFISMSA-N 2 1 306.454 2.868 20 0 DFADMP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]C1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000358952421 278496237 /nfs/dbraw/zinc/49/62/37/278496237.db2.gz LZYGMFCRIRNRBQ-SJLPKXTDSA-N 2 1 321.509 2.511 20 0 DFADMP C[N@@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC000644609683 430769597 /nfs/dbraw/zinc/76/95/97/430769597.db2.gz RYHAGVTUFVQLOJ-MRXNPFEDSA-N 2 1 312.404 2.647 20 0 DFADMP C[N@H+](Cc1ccccc1)C[C@H](O)C[NH2+]C1CCC(F)(F)CC1 ZINC000644609683 430769602 /nfs/dbraw/zinc/76/96/02/430769602.db2.gz RYHAGVTUFVQLOJ-MRXNPFEDSA-N 2 1 312.404 2.647 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1cncc(Br)c1 ZINC000657945921 430773363 /nfs/dbraw/zinc/77/33/63/430773363.db2.gz NUMNNZHJVXQHLB-GXFFZTMASA-N 2 1 321.222 2.706 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@@H]3CCCC34CC4)C2)nc(C)[nH+]1 ZINC000657944023 430773655 /nfs/dbraw/zinc/77/36/55/430773655.db2.gz WULHGFWASUDALI-JKSUJKDBSA-N 2 1 300.450 2.985 20 0 DFADMP C[N@H+]1CC[C@H]([NH2+]Cc2cccnc2N2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000658105365 430812677 /nfs/dbraw/zinc/81/26/77/430812677.db2.gz IFDIOBKBXBHTFJ-BZSNNMDCSA-N 2 1 314.477 2.644 20 0 DFADMP CO[C@](C)(C[NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)COCc1ccccc1 ZINC000658133379 430820385 /nfs/dbraw/zinc/82/03/85/430820385.db2.gz QNOWWNFDVPOYCN-NZSAHSFTSA-N 2 1 320.477 2.681 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)[C@H]1C[C@@H]1C ZINC000658135298 430820606 /nfs/dbraw/zinc/82/06/06/430820606.db2.gz CZLKIXKVHGPKHA-QZHFEQFPSA-N 2 1 302.462 2.777 20 0 DFADMP CC[C@H]([NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1)C1CCC1 ZINC000658136415 430820917 /nfs/dbraw/zinc/82/09/17/430820917.db2.gz IEPVQRUHIOKYHX-OALUTQOASA-N 2 1 302.462 2.922 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]4C[C@H]43)cc2)C1 ZINC000658137152 430822953 /nfs/dbraw/zinc/82/29/53/430822953.db2.gz JBPZBOJLFPTPRG-OKYOBFRVSA-N 2 1 300.446 2.531 20 0 DFADMP OC/C=C\C[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000658141964 430823202 /nfs/dbraw/zinc/82/32/02/430823202.db2.gz XVYAXMCPHATPTN-IOEMXKATSA-N 2 1 300.446 2.568 20 0 DFADMP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C[N@H+]2CC[C@H](O)C2)cc1 ZINC000658139289 430823534 /nfs/dbraw/zinc/82/35/34/430823534.db2.gz QMCCFDTWXAFWQY-BEFAXECRSA-N 2 1 314.429 2.567 20 0 DFADMP CC(C)C[C@@H](CO)[NH2+][C@@H](C)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658178983 430836038 /nfs/dbraw/zinc/83/60/38/430836038.db2.gz BZGCVAFMKFDBLW-UHOSZYNNSA-N 2 1 304.478 2.894 20 0 DFADMP C[N@@H+](CCc1ccccc1)[C@H]1CCN(CC[NH+]2CCCCC2)C1 ZINC000661640987 430788136 /nfs/dbraw/zinc/78/81/36/430788136.db2.gz CHYNISWCHUWDHV-FQEVSTJZSA-N 2 1 315.505 2.721 20 0 DFADMP Fc1cc2c(c(F)c1F)[C@@H]([NH2+][C@H]1CCc3[nH+]ccn3C1)CC2 ZINC000648442443 430789679 /nfs/dbraw/zinc/78/96/79/430789679.db2.gz ZSKMQENVMSPDLS-JQWIXIFHSA-N 2 1 307.319 2.892 20 0 DFADMP CC(C)CN1Cc2cccc(NC(=O)[C@H](C)N3CC(C)C3)c2C1 ZINC000654931787 430845628 /nfs/dbraw/zinc/84/56/28/430845628.db2.gz YTBDCVOIYQPAML-HNNXBMFYSA-N 2 1 315.461 2.937 20 0 DFADMP C[C@H]([NH2+]C[C@H](CO)CC1CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000658257286 430854256 /nfs/dbraw/zinc/85/42/56/430854256.db2.gz ZEYYRJNDCADNNY-PWIZWCRZSA-N 2 1 316.489 2.895 20 0 DFADMP C[C@@H]1CC[NH+](C/C=C\C[N@@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661850637 430865836 /nfs/dbraw/zinc/86/58/36/430865836.db2.gz LTNDWJBNTOOTNX-QXINXSKUSA-N 2 1 310.482 2.541 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000648718884 430869193 /nfs/dbraw/zinc/86/91/93/430869193.db2.gz JOLPQNUHTYMJAD-HNNXBMFYSA-N 2 1 308.470 2.632 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+][C@@H]2CCCOCC2)cc1 ZINC000665255059 430869750 /nfs/dbraw/zinc/86/97/50/430869750.db2.gz HUZXHUHPTJGPCO-NEWSRXKRSA-N 2 1 318.461 2.690 20 0 DFADMP CC(C)[C@@H]1C[C@H]([NH2+][C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)CCO1 ZINC000665251526 430870150 /nfs/dbraw/zinc/87/01/50/430870150.db2.gz RQGFAAHTVYVUQR-MKXGPGLRSA-N 2 1 302.462 2.925 20 0 DFADMP C[C@@H]1[C@H](O)CCC[N@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648723995 430871339 /nfs/dbraw/zinc/87/13/39/430871339.db2.gz LCYMPBNDISHDFH-VQIMIIECSA-N 2 1 318.461 2.506 20 0 DFADMP CNC(=O)CC1(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CCCCC1 ZINC000658307567 430872413 /nfs/dbraw/zinc/87/24/13/430872413.db2.gz LLSHMSCKATWIJA-BRWVUGGUSA-N 2 1 321.509 2.535 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C)[C@@H]1C)c1ccsc1 ZINC000648733465 430874058 /nfs/dbraw/zinc/87/40/58/430874058.db2.gz VBJNLIUWJGCETE-BMFZPTHFSA-N 2 1 323.506 2.587 20 0 DFADMP Cc1ccc2oc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2c1 ZINC000665262258 430874145 /nfs/dbraw/zinc/87/41/45/430874145.db2.gz XDAUMULKJLJGLB-RCCFBDPRSA-N 2 1 314.429 2.988 20 0 DFADMP C[NH2+]C[C@H](C)[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000665297285 430889552 /nfs/dbraw/zinc/88/95/52/430889552.db2.gz CJRBBSKYLZKTDX-ZJUUUORDSA-N 2 1 303.219 2.717 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H]1CC[N@H+](C2CCCCC2)C1 ZINC000665267238 430877214 /nfs/dbraw/zinc/87/72/14/430877214.db2.gz SJLJMBSYQCZCQI-NVXWUHKLSA-N 2 1 316.493 2.906 20 0 DFADMP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(C2CCCCC2)C1 ZINC000665267238 430877218 /nfs/dbraw/zinc/87/72/18/430877218.db2.gz SJLJMBSYQCZCQI-NVXWUHKLSA-N 2 1 316.493 2.906 20 0 DFADMP CO[C@@H](C[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1)C1CCCCC1 ZINC000658328042 430877355 /nfs/dbraw/zinc/87/73/55/430877355.db2.gz SZPRCTJLBBMGLI-MOPGFXCFSA-N 2 1 324.509 2.815 20 0 DFADMP C[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000658336085 430878145 /nfs/dbraw/zinc/87/81/45/430878145.db2.gz NEBVFUBZFNEKNC-LSDHHAIUSA-N 2 1 316.449 2.772 20 0 DFADMP c1ccc([C@H]2CC[C@H]2[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000665274776 430878234 /nfs/dbraw/zinc/87/82/34/430878234.db2.gz YHTFCMGPBUQEMZ-FVVUREQNSA-N 2 1 300.446 2.679 20 0 DFADMP C[C@@H]([NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1nccn1C ZINC000658336084 430878436 /nfs/dbraw/zinc/87/84/36/430878436.db2.gz NEBVFUBZFNEKNC-HUUCEWRRSA-N 2 1 316.449 2.772 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000648755295 430882364 /nfs/dbraw/zinc/88/23/64/430882364.db2.gz XJOOIXLGJXAJKX-OAHLLOKOSA-N 2 1 320.481 2.729 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000648755295 430882368 /nfs/dbraw/zinc/88/23/68/430882368.db2.gz XJOOIXLGJXAJKX-OAHLLOKOSA-N 2 1 320.481 2.729 20 0 DFADMP CCCCc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665290945 430885623 /nfs/dbraw/zinc/88/56/23/430885623.db2.gz PMCYBHIGEBFOHF-ZDUSSCGKSA-N 2 1 314.433 2.834 20 0 DFADMP Cc1nc2cc(CNC(=O)Cn3cc[nH+]c3C)ccc2n1C1CC1 ZINC000655064386 430886091 /nfs/dbraw/zinc/88/60/91/430886091.db2.gz ZZQABNSYNONYDK-UHFFFAOYSA-N 2 1 323.400 2.501 20 0 DFADMP CCSc1ccc([C@H](C)[NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)cc1 ZINC000665291375 430887148 /nfs/dbraw/zinc/88/71/48/430887148.db2.gz ABLVMLYECIMUOX-NSHDSACASA-N 2 1 318.446 2.604 20 0 DFADMP CC(C)[C@H]1C[C@@H]([NH2+]Cc2nc(C[NH3+])cc(=O)[nH]2)c2ccccc21 ZINC000665292528 430889771 /nfs/dbraw/zinc/88/97/71/430889771.db2.gz BZNGWPKFLVWJML-HZPDHXFCSA-N 2 1 312.417 2.615 20 0 DFADMP CC[NH+](CC)CCO[C@@H]1CC[N@@H+](Cc2cc3cnccc3o2)C1 ZINC000651647606 430839409 /nfs/dbraw/zinc/83/94/09/430839409.db2.gz XGVSMVVIWMNZGH-MRXNPFEDSA-N 2 1 317.433 2.761 20 0 DFADMP C[C@]1(CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1(F)F ZINC000658221676 430844259 /nfs/dbraw/zinc/84/42/59/430844259.db2.gz OENOROAGICIISC-GJZGRUSLSA-N 2 1 302.409 2.655 20 0 DFADMP C(C1CC1)[NH+]1CCC(N[C@@H]2CC[N@H+](C3CCCCC3)C2)CC1 ZINC000658230345 430844523 /nfs/dbraw/zinc/84/45/23/430844523.db2.gz YMQMXWIZDBMLSH-GOSISDBHSA-N 2 1 305.510 2.857 20 0 DFADMP COc1ccccc1-c1cc(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)on1 ZINC000665299796 430890943 /nfs/dbraw/zinc/89/09/43/430890943.db2.gz SWWKLVWOKJWGEA-CZUORRHYSA-N 2 1 315.417 2.828 20 0 DFADMP COc1cc(OC)c(C[NH2+]CC[C@@H]2CCC[N@@H+](C)C2)cc1F ZINC000651830031 430891322 /nfs/dbraw/zinc/89/13/22/430891322.db2.gz XYKIUMAPGZDMMB-ZDUSSCGKSA-N 2 1 310.413 2.664 20 0 DFADMP C[C@H](N)[C@@H](Cc1ccccc1)[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000665300125 430891464 /nfs/dbraw/zinc/89/14/64/430891464.db2.gz YRVNIGBYCPRSMB-OXJNMPFZSA-N 2 1 315.505 2.657 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000648797888 430895645 /nfs/dbraw/zinc/89/56/45/430895645.db2.gz IRZGBYOEHXCDQI-HOTGVXAUSA-N 2 1 320.481 2.729 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)N(C)CC[C@@H]1CCCC[N@H+]1C ZINC000648797888 430895651 /nfs/dbraw/zinc/89/56/51/430895651.db2.gz IRZGBYOEHXCDQI-HOTGVXAUSA-N 2 1 320.481 2.729 20 0 DFADMP Cc1cc(N2CCC[C@@H]([NH2+][C@H]3C[C@@H](C)O[C@@H](C)C3)C2)nc(C)[nH+]1 ZINC000645083819 430897903 /nfs/dbraw/zinc/89/79/03/430897903.db2.gz NDNZYNYNDPGOAM-WTTBNOFXSA-N 2 1 318.465 2.608 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000648801211 430898683 /nfs/dbraw/zinc/89/86/83/430898683.db2.gz LHCFBUKWGBFIMB-CVEARBPZSA-N 2 1 320.481 2.587 20 0 DFADMP COC[C@@H]1CCCC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000648856763 430915456 /nfs/dbraw/zinc/91/54/56/430915456.db2.gz AMOKSHLSLFSDAW-KRWDZBQOSA-N 2 1 306.450 2.628 20 0 DFADMP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645181429 430927757 /nfs/dbraw/zinc/92/77/57/430927757.db2.gz FAQDJBVJJCYTAA-AWEZNQCLSA-N 2 1 301.438 2.743 20 0 DFADMP CCC[N@@H+](C)C[C@@H]1CCN(c2[nH+]cnc3[nH]c(C)c(C)c32)C1 ZINC000645181429 430927758 /nfs/dbraw/zinc/92/77/58/430927758.db2.gz FAQDJBVJJCYTAA-AWEZNQCLSA-N 2 1 301.438 2.743 20 0 DFADMP CC(C)[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000648907501 430932218 /nfs/dbraw/zinc/93/22/18/430932218.db2.gz BEFOLZSYAFWRKP-SJLPKXTDSA-N 2 1 321.509 2.773 20 0 DFADMP CCc1[nH+]ccn1[C@H](C)CC(=O)NC(C)(C)CCC[NH+](C)C ZINC000648922019 430937772 /nfs/dbraw/zinc/93/77/72/430937772.db2.gz XWQVPCBSKAMELR-CQSZACIVSA-N 2 1 308.470 2.633 20 0 DFADMP OC[C@H](CCF)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000652020149 430938005 /nfs/dbraw/zinc/93/80/05/430938005.db2.gz MJNZOLLHVRDHGX-INDMIFKZSA-N 2 1 320.452 2.597 20 0 DFADMP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@H+](C(C)(C)C)C1 ZINC000659019815 430941348 /nfs/dbraw/zinc/94/13/48/430941348.db2.gz RIUGMVCQPXNRIV-CQSZACIVSA-N 2 1 318.465 2.648 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)NC[C@H]2CC[N@H+](C(C)(C)C)C2)c1 ZINC000659018713 430942251 /nfs/dbraw/zinc/94/22/51/430942251.db2.gz LMNNDPZFRMRNKD-OAHLLOKOSA-N 2 1 318.465 2.648 20 0 DFADMP O[C@H]1CC[N@H+](C2CC[NH+](CC[C@H]3CCc4ccccc43)CC2)C1 ZINC000662148406 430979442 /nfs/dbraw/zinc/97/94/42/430979442.db2.gz KAPZEGGXCMJYHF-MJGOQNOKSA-N 2 1 314.473 2.638 20 0 DFADMP CC[C@@H](c1ccc(F)cc1)N1CCC([N@H+]2CC[C@H](O)C2)CC1 ZINC000662153828 430980642 /nfs/dbraw/zinc/98/06/42/430980642.db2.gz CVFHPZDMVUFYFY-ROUUACIJSA-N 2 1 306.425 2.808 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@@H+](C)CC(C)C)c(C)n2n1 ZINC000652222234 430994034 /nfs/dbraw/zinc/99/40/34/430994034.db2.gz ILWAKGSLAARJGA-OAHLLOKOSA-N 2 1 317.481 2.975 20 0 DFADMP Cc1cc2ncc([C@@H](C)[NH2+]CCC[N@H+](C)CC(C)C)c(C)n2n1 ZINC000652222234 430994037 /nfs/dbraw/zinc/99/40/37/430994037.db2.gz ILWAKGSLAARJGA-OAHLLOKOSA-N 2 1 317.481 2.975 20 0 DFADMP CC[N@@H+](CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+])C1CCCCC1 ZINC000652227368 430994665 /nfs/dbraw/zinc/99/46/65/430994665.db2.gz FEWHMXFJVPERBR-IAGOWNOFSA-N 2 1 324.513 2.600 20 0 DFADMP Cc1cc(N2CCC[C@H]([NH2+][C@H](C)[C@]3(C)CCCO3)C2)nc(C)[nH+]1 ZINC000645433896 431001346 /nfs/dbraw/zinc/00/13/46/431001346.db2.gz GBPCOFAINKAARB-HFTRVMKXSA-N 2 1 318.465 2.609 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@H]2CCC3(C[NH2+]C3)O2)CC[C@@H]1c1ccccc1 ZINC000662257543 431019646 /nfs/dbraw/zinc/01/96/46/431019646.db2.gz POTRFTZIJIJPKU-NXHRZFHOSA-N 2 1 300.446 2.633 20 0 DFADMP Cc1ccc([C@@H]2CSCC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662256287 431019706 /nfs/dbraw/zinc/01/97/06/431019706.db2.gz UUNLQYCBXVKKRY-IRXDYDNUSA-N 2 1 318.486 2.606 20 0 DFADMP Cn1ccnc1C[N@@H+](CCCC1CCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000662269548 431024824 /nfs/dbraw/zinc/02/48/24/431024824.db2.gz GLQMPAZHQPELSU-KRWDZBQOSA-N 2 1 316.493 2.945 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@@H+](CCCc3cccc(F)c3)C2)C1 ZINC000652349471 431027076 /nfs/dbraw/zinc/02/70/76/431027076.db2.gz PHLBVHNNUYXTQE-UHOSZYNNSA-N 2 1 320.452 2.977 20 0 DFADMP CCc1ccccc1C[N@H+]1CCC[C@H]([C@@H]2C[C@@H]([NH3+])CCO2)C1 ZINC000652349214 431027346 /nfs/dbraw/zinc/02/73/46/431027346.db2.gz FYOLGGDLUDQBJI-FHWLQOOXSA-N 2 1 302.462 2.967 20 0 DFADMP Cc1cc(C[N@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)ncn1 ZINC000662271714 431028219 /nfs/dbraw/zinc/02/82/19/431028219.db2.gz YOABRJXSYVEQBO-AZUAARDMSA-N 2 1 324.472 2.957 20 0 DFADMP [NH3+]CCC[N@@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662271029 431028319 /nfs/dbraw/zinc/02/83/19/431028319.db2.gz DUJMLUBVOPJLJH-UHFFFAOYSA-N 3 1 309.457 2.683 20 0 DFADMP [NH3+]CCCN(Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662271029 431028324 /nfs/dbraw/zinc/02/83/24/431028324.db2.gz DUJMLUBVOPJLJH-UHFFFAOYSA-N 2 1 309.457 2.683 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350996 431028700 /nfs/dbraw/zinc/02/87/00/431028700.db2.gz CPVBYHQMENTNGW-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2C[C@@H]3CCC[C@]3(C[NH3+])C2)c1 ZINC000652350996 431028704 /nfs/dbraw/zinc/02/87/04/431028704.db2.gz CPVBYHQMENTNGW-BXWFABGCSA-N 2 1 315.461 2.691 20 0 DFADMP c1ccc(COCC[N@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)cc1 ZINC000662271990 431028881 /nfs/dbraw/zinc/02/88/81/431028881.db2.gz ASVAIIFLUFFOSG-OALUTQOASA-N 2 1 302.462 2.915 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+]1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000652355202 431029781 /nfs/dbraw/zinc/02/97/81/431029781.db2.gz QVIJBIWHSWKVCY-GUYCJALGSA-N 2 1 321.440 2.912 20 0 DFADMP COc1ccc(COCC[N@H+]2CCC[C@@H](C)[C@@H]2CC[NH3+])cc1 ZINC000652354831 431030003 /nfs/dbraw/zinc/03/00/03/431030003.db2.gz JMRIXBMAMBBRLN-QAPCUYQASA-N 2 1 306.450 2.661 20 0 DFADMP COc1cccc(SCC[N@@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1 ZINC000662274732 431030010 /nfs/dbraw/zinc/03/00/10/431030010.db2.gz WITXHQXPNYXSBO-GASCZTMLSA-N 2 1 306.475 2.719 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]2[C@@H]2CCCOC2)c2c(c1)C[NH2+]CC2 ZINC000662284637 431032234 /nfs/dbraw/zinc/03/22/34/431032234.db2.gz YNPPJHRJBXXPGJ-MJGOQNOKSA-N 2 1 300.446 2.723 20 0 DFADMP CCCc1nc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363181 431032389 /nfs/dbraw/zinc/03/23/89/431032389.db2.gz ZXYMPRZPVBPBSI-BMFZPTHFSA-N 2 1 323.506 2.956 20 0 DFADMP CCCc1nc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cs1 ZINC000652363181 431032392 /nfs/dbraw/zinc/03/23/92/431032392.db2.gz ZXYMPRZPVBPBSI-BMFZPTHFSA-N 2 1 323.506 2.956 20 0 DFADMP C[C@@H]1CCCC[C@@H]1OCC[N@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652361832 431032453 /nfs/dbraw/zinc/03/24/53/431032453.db2.gz QKFBLLGUMGBGLF-MTHXSQLBSA-N 2 1 324.509 2.943 20 0 DFADMP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@H+]2CCOc2ccc(F)cc2)C1 ZINC000652360789 431033157 /nfs/dbraw/zinc/03/31/57/431033157.db2.gz QJSNTBUHJWKBAN-NJAFHUGGSA-N 2 1 322.424 2.565 20 0 DFADMP COc1ccc(-c2cc(C[N@@H+]3CC[C@H]([NH3+])C[C@H]3C)on2)cc1 ZINC000662282910 431033224 /nfs/dbraw/zinc/03/32/24/431033224.db2.gz DGFOOPVMSALITR-OCCSQVGLSA-N 2 1 301.390 2.662 20 0 DFADMP COc1ccc(-c2cc(C[N@H+]3CC[C@H]([NH3+])C[C@H]3C)on2)cc1 ZINC000662282910 431033232 /nfs/dbraw/zinc/03/32/32/431033232.db2.gz DGFOOPVMSALITR-OCCSQVGLSA-N 2 1 301.390 2.662 20 0 DFADMP CN(C)c1ccccc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363823 431033278 /nfs/dbraw/zinc/03/32/78/431033278.db2.gz OWPPWJMXTUHNPG-BHIYHBOVSA-N 2 1 317.477 2.613 20 0 DFADMP Cc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c(C)n1 ZINC000652364144 431033568 /nfs/dbraw/zinc/03/35/68/431033568.db2.gz ZLZVKNQIUIXLLL-KSZLIROESA-N 2 1 303.450 2.559 20 0 DFADMP CO[C@H](C[N@H+]1CCC[C@H]([C@H]2C[C@@H]([NH3+])CCO2)C1)C1CCCCC1 ZINC000662286183 431034964 /nfs/dbraw/zinc/03/49/64/431034964.db2.gz PJQHGVBJIUVONS-INDMIFKZSA-N 2 1 324.509 2.800 20 0 DFADMP CC(C)(C)c1noc(C[NH+]2CCC([C@H]3CCC[NH2+]C3)CC2)n1 ZINC000662291038 431035572 /nfs/dbraw/zinc/03/55/72/431035572.db2.gz NKLUFWLFZQUQDN-AWEZNQCLSA-N 2 1 306.454 2.579 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000662284925 431036242 /nfs/dbraw/zinc/03/62/42/431036242.db2.gz QYTLDDHIOKDSGE-CQSZACIVSA-N 2 1 300.406 2.643 20 0 DFADMP CC(C)([NH3+])c1noc(C[N@H+]2CCC[C@@H](c3ccccc3)C2)n1 ZINC000662284925 431036246 /nfs/dbraw/zinc/03/62/46/431036246.db2.gz QYTLDDHIOKDSGE-CQSZACIVSA-N 2 1 300.406 2.643 20 0 DFADMP CC(C)c1noc([C@H](C)[N@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1 ZINC000662295908 431037162 /nfs/dbraw/zinc/03/71/62/431037162.db2.gz IQWYIGPLHSVWEF-ZFWWWQNUSA-N 2 1 306.454 2.966 20 0 DFADMP Cc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])c(F)c1 ZINC000662313015 431042441 /nfs/dbraw/zinc/04/24/41/431042441.db2.gz FIIKYYAXKCLLPZ-RHSMWYFYSA-N 2 1 321.440 2.912 20 0 DFADMP CN(c1ccccc1)[C@@H]1CC[N@@H+](CCCC2CC[NH2+]CC2)C1 ZINC000662318424 431044258 /nfs/dbraw/zinc/04/42/58/431044258.db2.gz ZTYGFLHHXDGQOI-LJQANCHMSA-N 2 1 301.478 2.977 20 0 DFADMP C[C@@H]1CCC[N@@H+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)[C@@H]1CCC[NH3+] ZINC000662313586 431044406 /nfs/dbraw/zinc/04/44/06/431044406.db2.gz IZZSBBIRSBHGKF-XWTMOSNGSA-N 2 1 323.525 2.863 20 0 DFADMP CCc1ccc(CC[N@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1 ZINC000662322669 431047416 /nfs/dbraw/zinc/04/74/16/431047416.db2.gz WSEMLHLSUFGVCG-LJQANCHMSA-N 2 1 304.478 2.834 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@H+](CCc2ccc(F)c(F)c2)CCO1 ZINC000662319995 431047872 /nfs/dbraw/zinc/04/78/72/431047872.db2.gz OHEWCMWGAUMYFW-HNNXBMFYSA-N 2 1 312.404 2.550 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCc2ccc(F)c(F)c2)CCO1 ZINC000662319995 431047874 /nfs/dbraw/zinc/04/78/74/431047874.db2.gz OHEWCMWGAUMYFW-HNNXBMFYSA-N 2 1 312.404 2.550 20 0 DFADMP C[NH+](C)CCC[C@H]1C[N@@H+](CCCCC2CCOCC2)CCO1 ZINC000662324509 431048114 /nfs/dbraw/zinc/04/81/14/431048114.db2.gz XCVLTOKOAPYJFF-SFHVURJKSA-N 2 1 312.498 2.626 20 0 DFADMP [NH3+][C@@H](Cc1ccccc1)[C@@H](O)C[N@H+]1CC2CC1(c1ccccc1)C2 ZINC000662328244 431048567 /nfs/dbraw/zinc/04/85/67/431048567.db2.gz PSQRFUSWGLSDBZ-WWFYLNGCSA-N 2 1 322.452 2.538 20 0 DFADMP COCC[C@H](c1ccccc1)[N@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662326424 431048819 /nfs/dbraw/zinc/04/88/19/431048819.db2.gz ZGIWECFOZXPWGY-RTBURBONSA-N 2 1 320.477 2.807 20 0 DFADMP C[C@H]1C[N@@H+](CCCC2CC[NH2+]CC2)C[C@H](CC(F)(F)F)O1 ZINC000662326320 431049820 /nfs/dbraw/zinc/04/98/20/431049820.db2.gz RHLDBVUZFHVWMU-JSGCOSHPSA-N 2 1 308.388 2.808 20 0 DFADMP CCc1[nH+]ccn1[C@@H](C)CC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000665857644 431051642 /nfs/dbraw/zinc/05/16/42/431051642.db2.gz BDRPWUVJOJPKAP-ZDUSSCGKSA-N 2 1 320.481 2.822 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@H+](CCc3cscn3)C2)c1 ZINC000649301473 431059784 /nfs/dbraw/zinc/05/97/84/431059784.db2.gz CIDIYKGWAFGKQC-CQSZACIVSA-N 2 1 302.447 2.823 20 0 DFADMP Cc1cc[nH+]c(NC[C@H]2CC[N@@H+](CCc3cscn3)C2)c1 ZINC000649301473 431059789 /nfs/dbraw/zinc/05/97/89/431059789.db2.gz CIDIYKGWAFGKQC-CQSZACIVSA-N 2 1 302.447 2.823 20 0 DFADMP C[C@H]1CCCC[N@H+]1C[C@@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1 ZINC000649311543 431062211 /nfs/dbraw/zinc/06/22/11/431062211.db2.gz YIXZUVHFLQXOIZ-VYMRPNJYSA-N 2 1 321.509 2.617 20 0 DFADMP CC(C)[NH2+]CC(=O)NCc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000662387206 431068777 /nfs/dbraw/zinc/06/87/77/431068777.db2.gz JHKNJILIQBDKEE-INIZCTEOSA-N 2 1 317.477 2.675 20 0 DFADMP c1ccc([C@H]2C[N@@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662249470 431012874 /nfs/dbraw/zinc/01/28/74/431012874.db2.gz UPVLNEGSFDUDIR-HXUWFJFHSA-N 2 1 308.425 2.906 20 0 DFADMP C[N@H+](Cc1cccc(C(F)(F)F)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662253912 431015442 /nfs/dbraw/zinc/01/54/42/431015442.db2.gz YODODARVNCUMHC-AWEZNQCLSA-N 2 1 314.351 2.658 20 0 DFADMP Clc1ccccc1[C@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662250278 431016305 /nfs/dbraw/zinc/01/63/05/431016305.db2.gz CZCORYSBBLBCOD-CZUORRHYSA-N 2 1 306.837 2.998 20 0 DFADMP Clc1ccccc1[C@H]1CCC[N@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662250279 431016380 /nfs/dbraw/zinc/01/63/80/431016380.db2.gz CZCORYSBBLBCOD-XJKSGUPXSA-N 2 1 306.837 2.998 20 0 DFADMP CCC[N@@H+](CCc1cccc(F)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254383 431016670 /nfs/dbraw/zinc/01/66/70/431016670.db2.gz HULKHMZHDLAXKK-QGZVFWFLSA-N 2 1 306.425 2.601 20 0 DFADMP CCO[C@H]1C[C@@H]([N@@H+](C)Cc2cccc3c2CC[NH2+]C3)C1(C)C ZINC000662258337 431018541 /nfs/dbraw/zinc/01/85/41/431018541.db2.gz ZPKUFACNUJDSOD-MSOLQXFVSA-N 2 1 302.462 2.968 20 0 DFADMP c1cc(C[N@H+]2CCC[C@H]2CN2CCCCC2)c2c(c1)C[NH2+]CC2 ZINC000662259897 431018646 /nfs/dbraw/zinc/01/86/46/431018646.db2.gz DJHBIBOOODKFND-IBGZPJMESA-N 2 1 313.489 2.783 20 0 DFADMP c1cc(C[N@@H+]2CCC[C@H]2CN2CCCCC2)c2c(c1)C[NH2+]CC2 ZINC000662259897 431018648 /nfs/dbraw/zinc/01/86/48/431018648.db2.gz DJHBIBOOODKFND-IBGZPJMESA-N 2 1 313.489 2.783 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCc2ccc3c(c2)OC(F)(F)O3)CC[N@H+]1C ZINC000652315503 431019063 /nfs/dbraw/zinc/01/90/63/431019063.db2.gz WRQCQKNTIDEZAD-YPMHNXCESA-N 2 1 312.360 2.623 20 0 DFADMP Cc1ccccc1C[C@@H]1CCC[N@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662258122 431019283 /nfs/dbraw/zinc/01/92/83/431019283.db2.gz SCGYBKRWJNMUNQ-ZWKOTPCHSA-N 2 1 300.446 2.523 20 0 DFADMP C[C@@H]1C[C@@H](CC[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)C[C@H](C)O1 ZINC000655765478 431126303 /nfs/dbraw/zinc/12/63/03/431126303.db2.gz GHMVLGASIKYGDN-ZMMAXQRCSA-N 2 1 324.509 2.813 20 0 DFADMP C([NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)[C@@H]1CCC2(CCCCC2)O1 ZINC000655760484 431118831 /nfs/dbraw/zinc/11/88/31/431118831.db2.gz RELUEOYIZDCHJR-ROUUACIJSA-N 2 1 322.493 2.711 20 0 DFADMP CC[NH+](CC)CC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649488724 431121203 /nfs/dbraw/zinc/12/12/03/431121203.db2.gz XJNAWAMOIWDBOK-UHFFFAOYSA-N 2 1 304.482 2.773 20 0 DFADMP CN(CC[C@H]1CCCC[N@H+]1C)C(=O)[C@@H]([NH3+])c1cccc(Cl)c1 ZINC000649341788 431071347 /nfs/dbraw/zinc/07/13/47/431071347.db2.gz XCWORPCQYWKOMW-CVEARBPZSA-N 2 1 323.868 2.673 20 0 DFADMP CC[C@H](C)[N@@H+](C)CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662438735 431081670 /nfs/dbraw/zinc/08/16/70/431081670.db2.gz ASMBYTGDYGFNQT-YOEHRIQHSA-N 2 1 317.477 2.525 20 0 DFADMP CCOCc1ccccc1C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655694960 431085567 /nfs/dbraw/zinc/08/55/67/431085567.db2.gz JGKRMZJNJPPMEI-LJQANCHMSA-N 2 1 318.461 2.566 20 0 DFADMP c1ccc2c(c1)CCC[C@@H]2C[NH2+]C1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000655696430 431087180 /nfs/dbraw/zinc/08/71/80/431087180.db2.gz PJFFCXRWBUPFDE-IEBWSBKVSA-N 2 1 314.473 2.949 20 0 DFADMP CC[N@@H+](CCCNC(=O)NCC1([NH3+])CCCC1)C1CCCCC1 ZINC000659560318 431087320 /nfs/dbraw/zinc/08/73/20/431087320.db2.gz XTJDRIAVRMLYAX-UHFFFAOYSA-N 2 1 324.513 2.602 20 0 DFADMP Cc1ccccc1C1(C[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)CC1 ZINC000655707857 431091875 /nfs/dbraw/zinc/09/18/75/431091875.db2.gz GIPOALUZSYOMSF-GOSISDBHSA-N 2 1 314.473 2.870 20 0 DFADMP C[C@H](c1ccccc1Cl)[NH+]1CCN(C[C@H]2CC[NH2+]C2)CC1 ZINC000649411727 431092726 /nfs/dbraw/zinc/09/27/26/431092726.db2.gz ZMYFUFSUTYSDGY-CABCVRRESA-N 2 1 307.869 2.628 20 0 DFADMP Cn1c2ccccc2nc1C[N@@H+](C)CCCC1CC[NH2+]CC1 ZINC000649413540 431094701 /nfs/dbraw/zinc/09/47/01/431094701.db2.gz FKTQACSYVUGBLA-UHFFFAOYSA-N 2 1 300.450 2.785 20 0 DFADMP CC[N@H+]1CC[C@@H](CNCc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655711402 431094942 /nfs/dbraw/zinc/09/49/42/431094942.db2.gz JPCXEKSXPNPHGN-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655711402 431094945 /nfs/dbraw/zinc/09/49/45/431094945.db2.gz JPCXEKSXPNPHGN-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+]Cc2cn(-c3ccc(C)cc3)nc2C)C1 ZINC000655711402 431094950 /nfs/dbraw/zinc/09/49/50/431094950.db2.gz JPCXEKSXPNPHGN-KRWDZBQOSA-N 2 1 312.461 2.921 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)n1 ZINC000649414497 431095335 /nfs/dbraw/zinc/09/53/35/431095335.db2.gz CDGDNJCCLOXTAI-SFHVURJKSA-N 2 1 316.493 2.904 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@H+](CCCC3CC[NH2+]CC3)C2)[nH+]1 ZINC000649414497 431095339 /nfs/dbraw/zinc/09/53/39/431095339.db2.gz CDGDNJCCLOXTAI-SFHVURJKSA-N 3 1 316.493 2.904 20 0 DFADMP Cc1cccc(NC[C@@H]2CC[N@@H+](CCCC3CC[NH2+]CC3)C2)[nH+]1 ZINC000649414497 431095344 /nfs/dbraw/zinc/09/53/44/431095344.db2.gz CDGDNJCCLOXTAI-SFHVURJKSA-N 3 1 316.493 2.904 20 0 DFADMP Cc1ccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn2c1 ZINC000649417798 431095429 /nfs/dbraw/zinc/09/54/29/431095429.db2.gz HFRDUCQBQDCMLA-IRXDYDNUSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1cccc2nc(C[N@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)cn21 ZINC000649418047 431096444 /nfs/dbraw/zinc/09/64/44/431096444.db2.gz XOULZRHSYLVDMQ-IRXDYDNUSA-N 2 1 312.461 2.854 20 0 DFADMP CC(C)OCC[NH+]1CCC([NH2+][C@@H]2CC[C@@H](C)SC2)CC1 ZINC000655717927 431097031 /nfs/dbraw/zinc/09/70/31/431097031.db2.gz GBYLFABVQLYKHI-GDBMZVCRSA-N 2 1 300.512 2.750 20 0 DFADMP Cc1cc2c(c(C)c1)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)CC2 ZINC000655715902 431097333 /nfs/dbraw/zinc/09/73/33/431097333.db2.gz JPOHFJJCDNGJRO-IBGZPJMESA-N 2 1 315.505 2.908 20 0 DFADMP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)Cc1cccs1 ZINC000655718561 431097384 /nfs/dbraw/zinc/09/73/84/431097384.db2.gz BFGFULQECWHVKN-HOCLYGCPSA-N 2 1 308.491 2.770 20 0 DFADMP CC(C)[C@@H](C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1)c1cccnc1 ZINC000655722084 431098710 /nfs/dbraw/zinc/09/87/10/431098710.db2.gz WLBUDRWXNORHFE-RBUKOAKNSA-N 2 1 317.477 2.664 20 0 DFADMP Oc1ccc(CCC[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)cc1 ZINC000655722313 431098791 /nfs/dbraw/zinc/09/87/91/431098791.db2.gz BXVJJFBDXJFMQP-LJQANCHMSA-N 2 1 318.461 2.558 20 0 DFADMP Cc1nn(-c2ccccc2F)cc1C[NH2+]CCn1cc[nH+]c1C ZINC000655723679 431101083 /nfs/dbraw/zinc/10/10/83/431101083.db2.gz NTUKQWYPWWJLJN-UHFFFAOYSA-N 2 1 313.380 2.615 20 0 DFADMP CCc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCOC3)CC2)cc1 ZINC000655727717 431103560 /nfs/dbraw/zinc/10/35/60/431103560.db2.gz ULMWLPYMDHQTNJ-LJQANCHMSA-N 2 1 302.462 2.634 20 0 DFADMP CCOCCC1(C[NH2+]C2CC[NH+](C[C@H]3CCCO3)CC2)CCC1 ZINC000655732557 431104965 /nfs/dbraw/zinc/10/49/65/431104965.db2.gz DBYJZSHXGSOWLQ-GOSISDBHSA-N 2 1 324.509 2.816 20 0 DFADMP FC(F)(F)C1(C[NH2+]C2CC[NH+](C[C@@H]3CCCO3)CC2)CC1 ZINC000655767605 431127896 /nfs/dbraw/zinc/12/78/96/431127896.db2.gz XSHFWQJIICOOBA-ZDUSSCGKSA-N 2 1 306.372 2.562 20 0 DFADMP FC1(F)CCCC[C@@H]1C[NH2+]C1CC[NH+]([C@H]2CCOC2)CC1 ZINC000655772084 431128387 /nfs/dbraw/zinc/12/83/87/431128387.db2.gz SSPOAVIAFHUCJB-HIFRSBDPSA-N 2 1 302.409 2.655 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1[NH2+]C[C@@H](c1ccc(F)cc1)N(C)C ZINC000124806977 288103496 /nfs/dbraw/zinc/10/34/96/288103496.db2.gz VAOZAMPYGWQFCR-KNCCTNLNSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000124806977 288103498 /nfs/dbraw/zinc/10/34/98/288103498.db2.gz VAOZAMPYGWQFCR-KNCCTNLNSA-N 2 1 307.457 2.747 20 0 DFADMP C[C@@H]1C[N@@H+](C)[C@H](C)C[C@@H]1NC[C@@H](c1ccc(F)cc1)[NH+](C)C ZINC000124806977 288103500 /nfs/dbraw/zinc/10/35/00/288103500.db2.gz VAOZAMPYGWQFCR-KNCCTNLNSA-N 2 1 307.457 2.747 20 0 DFADMP CC[NH+](CC)CCC[N@@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288725763 279095780 /nfs/dbraw/zinc/09/57/80/279095780.db2.gz GDQVLBKCPVSVTB-IBGZPJMESA-N 2 1 322.468 2.785 20 0 DFADMP CC[NH+](CC)CCC[N@H+]1CC[C@](CO)(Cc2ccc(F)cc2)C1 ZINC000288725763 279095781 /nfs/dbraw/zinc/09/57/81/279095781.db2.gz GDQVLBKCPVSVTB-IBGZPJMESA-N 2 1 322.468 2.785 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)N1CCCCCC1 ZINC000360958985 279122466 /nfs/dbraw/zinc/12/24/66/279122466.db2.gz URBRXEJCBAHKOK-ZWKOTPCHSA-N 2 1 323.525 2.879 20 0 DFADMP Fc1ccccc1[C@@H]1C[C@H]1[NH2+]C1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000655777429 431131932 /nfs/dbraw/zinc/13/19/32/431131932.db2.gz UROXQXAKEGSBOL-VDZJLULYSA-N 2 1 318.436 2.915 20 0 DFADMP OC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000655777617 431131999 /nfs/dbraw/zinc/13/19/99/431131999.db2.gz XLMWUTLSTYLOKV-RBUKOAKNSA-N 2 1 324.509 2.551 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)CC(C)C ZINC000353847291 279146948 /nfs/dbraw/zinc/14/69/48/279146948.db2.gz SZZFNUPSNBNJHF-SJORKVTESA-N 2 1 311.514 2.734 20 0 DFADMP CC[N@@H+](CCC1CC[NH2+]CC1)Cc1ccc(C(=O)N(C)C)cc1 ZINC000359200561 279176974 /nfs/dbraw/zinc/17/69/74/279176974.db2.gz FXMGNVYQEHGFFJ-UHFFFAOYSA-N 2 1 317.477 2.600 20 0 DFADMP CCCC[N@@H+](C)CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659847743 431142605 /nfs/dbraw/zinc/14/26/05/431142605.db2.gz QMQLGFYMFZRSEK-OAHLLOKOSA-N 2 1 304.425 2.855 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CCO)c1ccccc1F ZINC000646069759 431168092 /nfs/dbraw/zinc/16/80/92/431168092.db2.gz WHINBOIZDKKYAY-QGZVFWFLSA-N 2 1 305.397 2.824 20 0 DFADMP C[NH+](C)CCCC1CC[NH+](Cc2cc3n(n2)CCCC3)CC1 ZINC000649572141 431169054 /nfs/dbraw/zinc/16/90/54/431169054.db2.gz LIKJPURETHTBDU-UHFFFAOYSA-N 2 1 304.482 2.773 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCC[N@@H+](C)C1 ZINC000666267395 431169881 /nfs/dbraw/zinc/16/98/81/431169881.db2.gz FLGWLZUXYXXKMI-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C[C@@H]1CCC[N@H+](C)C1 ZINC000666267395 431169887 /nfs/dbraw/zinc/16/98/87/431169887.db2.gz FLGWLZUXYXXKMI-HNNXBMFYSA-N 2 1 316.424 2.751 20 0 DFADMP Cc1cc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)nn1C ZINC000666281679 431177922 /nfs/dbraw/zinc/17/79/22/431177922.db2.gz APRMRZMTMPXLHB-KRWDZBQOSA-N 2 1 309.417 2.536 20 0 DFADMP Cc1ccc(NCCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)[nH+]c1 ZINC000662736893 431180061 /nfs/dbraw/zinc/18/00/61/431180061.db2.gz VRTNMJFMXWAUGY-QGZVFWFLSA-N 2 1 324.428 2.543 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](C[C@H]1CCc3ccccc3C1)CCO2 ZINC000646105737 431186528 /nfs/dbraw/zinc/18/65/28/431186528.db2.gz GAJQBUCRTYMVAB-KRWDZBQOSA-N 2 1 314.473 2.588 20 0 DFADMP CC(C)[N@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000659920439 431187902 /nfs/dbraw/zinc/18/79/02/431187902.db2.gz LLRQBALKFRDLAQ-SFHVURJKSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CCC(Cc2ccccc2F)CC1 ZINC000659920439 431187912 /nfs/dbraw/zinc/18/79/12/431187912.db2.gz LLRQBALKFRDLAQ-SFHVURJKSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000659920804 431188988 /nfs/dbraw/zinc/18/89/88/431188988.db2.gz QQYWXRLHXBDBAV-DOTOQJQBSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000659920804 431188991 /nfs/dbraw/zinc/18/89/91/431188991.db2.gz QQYWXRLHXBDBAV-DOTOQJQBSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000659920804 431188996 /nfs/dbraw/zinc/18/89/96/431188996.db2.gz QQYWXRLHXBDBAV-DOTOQJQBSA-N 2 1 310.869 2.830 20 0 DFADMP CC(C)[NH+](C)C[C@@H](O)C[N@H+]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000659920804 431189001 /nfs/dbraw/zinc/18/90/01/431189001.db2.gz QQYWXRLHXBDBAV-DOTOQJQBSA-N 2 1 310.869 2.830 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)[C@H]3CCCOC3)C2)s1 ZINC000649603485 431190129 /nfs/dbraw/zinc/19/01/29/431190129.db2.gz OWANMJRLQYUEQF-CVEARBPZSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@H+](C)[C@H]3CCCOC3)C2)s1 ZINC000649603485 431190136 /nfs/dbraw/zinc/19/01/36/431190136.db2.gz OWANMJRLQYUEQF-CVEARBPZSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)[C@H]3CCCOC3)C2)s1 ZINC000649603485 431190141 /nfs/dbraw/zinc/19/01/41/431190141.db2.gz OWANMJRLQYUEQF-CVEARBPZSA-N 2 1 308.491 2.989 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)[C@H]3CCCOC3)C2)s1 ZINC000649603485 431190146 /nfs/dbraw/zinc/19/01/46/431190146.db2.gz OWANMJRLQYUEQF-CVEARBPZSA-N 2 1 308.491 2.989 20 0 DFADMP CCC[C@H](O)C[N@@H+](C)C[C@H]1CC[NH+](Cc2ccc(C)s2)C1 ZINC000649603342 431190913 /nfs/dbraw/zinc/19/09/13/431190913.db2.gz HXKNEPQUKVTCOP-CVEARBPZSA-N 2 1 310.507 2.971 20 0 DFADMP CCC[C@H](O)C[NH+](C)C[C@H]1CC[N@H+](Cc2ccc(C)s2)C1 ZINC000649603342 431190920 /nfs/dbraw/zinc/19/09/20/431190920.db2.gz HXKNEPQUKVTCOP-CVEARBPZSA-N 2 1 310.507 2.971 20 0 DFADMP CCC[C@H](O)C[NH+](C)C[C@H]1CC[N@@H+](Cc2ccc(C)s2)C1 ZINC000649603342 431190926 /nfs/dbraw/zinc/19/09/26/431190926.db2.gz HXKNEPQUKVTCOP-CVEARBPZSA-N 2 1 310.507 2.971 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@@H](C[N@H+](C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603422 431192210 /nfs/dbraw/zinc/19/22/10/431192210.db2.gz MALNQVFUCZEVBT-DOTOQJQBSA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603422 431192219 /nfs/dbraw/zinc/19/22/19/431192219.db2.gz MALNQVFUCZEVBT-DOTOQJQBSA-N 2 1 310.507 2.827 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@@H](C[NH+](C)C[C@@H](O)C(C)C)C2)s1 ZINC000649603422 431192226 /nfs/dbraw/zinc/19/22/26/431192226.db2.gz MALNQVFUCZEVBT-DOTOQJQBSA-N 2 1 310.507 2.827 20 0 DFADMP C[C@H]1CN(C[C@H]2CCC[N@H+]2C)CC[NH+](Cc2ccccc2)C1 ZINC000649622794 431201885 /nfs/dbraw/zinc/20/18/85/431201885.db2.gz UWYKVESXIKDOEZ-IEBWSBKVSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@H+](Cc2ccccc2)C1 ZINC000649622794 431201892 /nfs/dbraw/zinc/20/18/92/431201892.db2.gz UWYKVESXIKDOEZ-IEBWSBKVSA-N 2 1 301.478 2.535 20 0 DFADMP C[C@H]1CN(C[C@H]2CCC[NH+]2C)CC[N@@H+](Cc2ccccc2)C1 ZINC000649622794 431201896 /nfs/dbraw/zinc/20/18/96/431201896.db2.gz UWYKVESXIKDOEZ-IEBWSBKVSA-N 2 1 301.478 2.535 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659858462 431153876 /nfs/dbraw/zinc/15/38/76/431153876.db2.gz DNWALDRGAZIRGI-LPHOPBHVSA-N 2 1 320.477 2.706 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH+](C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000659858462 431153895 /nfs/dbraw/zinc/15/38/95/431153895.db2.gz DNWALDRGAZIRGI-LPHOPBHVSA-N 2 1 320.477 2.706 20 0 DFADMP COc1ccc2c(c1)CCC[C@@H]2[NH+](C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000659858462 431153900 /nfs/dbraw/zinc/15/39/00/431153900.db2.gz DNWALDRGAZIRGI-LPHOPBHVSA-N 2 1 320.477 2.706 20 0 DFADMP C[C@H](CC(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1)[C@H]1CCC[NH2+]C1 ZINC000662667886 431157052 /nfs/dbraw/zinc/15/70/52/431157052.db2.gz DXWDNGLZWIAOPF-IKGGRYGDSA-N 2 1 321.509 2.535 20 0 DFADMP [NH3+][C@@H](CC1CCCCC1)C(=O)N[C@H]1CC[N@H+](C2CCCCC2)C1 ZINC000662668154 431157361 /nfs/dbraw/zinc/15/73/61/431157361.db2.gz IKJINZRZKPCNFB-WMZOPIPTSA-N 2 1 321.509 2.807 20 0 DFADMP C[C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)C1CC[NH2+]CC1 ZINC000662669458 431157569 /nfs/dbraw/zinc/15/75/69/431157569.db2.gz ZNFKQPAGONGTHO-NVXWUHKLSA-N 2 1 321.509 2.535 20 0 DFADMP [NH3+][C@H](CC(=O)N[C@@H]1CC[N@H+](C2CCCCC2)C1)c1ccccc1 ZINC000662668547 431157675 /nfs/dbraw/zinc/15/76/75/431157675.db2.gz OOPFMQILKYVBRF-SJLPKXTDSA-N 2 1 315.461 2.600 20 0 DFADMP C[C@@H]1CCCC[N@H+]1Cc1ccccc1CNC(=O)CC1([NH3+])CC1 ZINC000662675970 431158981 /nfs/dbraw/zinc/15/89/81/431158981.db2.gz RTBKPCZNNKHZLI-OAHLLOKOSA-N 2 1 315.461 2.559 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(NC(=O)CC3([NH3+])CC3)cc2)C1 ZINC000662676431 431159474 /nfs/dbraw/zinc/15/94/74/431159474.db2.gz VLJMBKVYIWNKHY-CQSZACIVSA-N 2 1 301.434 2.738 20 0 DFADMP CCC[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)CC1 ZINC000666353046 431202166 /nfs/dbraw/zinc/20/21/66/431202166.db2.gz QMDLBORNYOGXTC-RTBURBONSA-N 2 1 301.478 2.896 20 0 DFADMP OCC1([NH2+]CC2CC2)CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000649624429 431206205 /nfs/dbraw/zinc/20/62/05/431206205.db2.gz ABXSRCVRRJFQSS-GOSISDBHSA-N 2 1 300.446 2.500 20 0 DFADMP C[NH2+]Cc1cccc(NC(=O)N[C@H]2CCC[N@H+]3CCCC[C@H]23)c1 ZINC000655907678 431211564 /nfs/dbraw/zinc/21/15/64/431211564.db2.gz MDJQYBKNKGKIEG-DLBZAZTESA-N 2 1 316.449 2.544 20 0 DFADMP C[NH+](CCO[C@H]1CC1(F)F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000659972159 431215076 /nfs/dbraw/zinc/21/50/76/431215076.db2.gz RRXRBRLSINNIDM-IRXDYDNUSA-N 2 1 324.415 2.865 20 0 DFADMP C[NH+](CCO[C@H]1CC1(F)F)C[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000659972159 431215083 /nfs/dbraw/zinc/21/50/83/431215083.db2.gz RRXRBRLSINNIDM-IRXDYDNUSA-N 2 1 324.415 2.865 20 0 DFADMP CC[C@@H]1C[N@H+]2CCCC[C@H]2CN1C(=O)c1ccc([C@H](C)[NH3+])cc1 ZINC000646193913 431223143 /nfs/dbraw/zinc/22/31/43/431223143.db2.gz GWDDJNNQMXROLL-QGTPRVQTSA-N 2 1 315.461 2.795 20 0 DFADMP c1cc2c(cc1C[N@H+]1CCC[C@@H](OC3CCC3)C1)C[NH2+]CC2 ZINC000655945938 431226186 /nfs/dbraw/zinc/22/61/86/431226186.db2.gz IBHBJUOBOBBUAW-LJQANCHMSA-N 2 1 300.446 2.866 20 0 DFADMP C[C@H]([NH2+][C@@H]1CCc2[nH+]ccn2C1)c1ccc(N2CCCC2=O)cc1 ZINC000369447139 279521779 /nfs/dbraw/zinc/52/17/79/279521779.db2.gz ZZIBOPVFRDRGPM-GOEBONIOSA-N 2 1 324.428 2.676 20 0 DFADMP Cc1cc(CN2CC[C@H]3[C@H](CCC[N@H+]3C3CC3)C2)nc(C)n1 ZINC000660116203 431276615 /nfs/dbraw/zinc/27/66/15/431276615.db2.gz WSHMHKCJXMSGGP-QAPCUYQASA-N 2 1 300.450 2.542 20 0 DFADMP C[N@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H](O)C1CC1 ZINC000663076608 431279294 /nfs/dbraw/zinc/27/92/94/431279294.db2.gz IYZWXUBAEJPFSU-LJQANCHMSA-N 2 1 302.462 2.875 20 0 DFADMP CSc1cccc(C[N@@H+](C)CCN(C)C2CC[NH+](C)CC2)c1 ZINC000660138987 431288412 /nfs/dbraw/zinc/28/84/12/431288412.db2.gz DXKPAJUMIDIHML-UHFFFAOYSA-N 2 1 321.534 2.866 20 0 DFADMP CC[N@@H+](CCCNC(=O)C1(C[NH3+])CCCC1)C1CCCCC1 ZINC000653200658 431306293 /nfs/dbraw/zinc/30/62/93/431306293.db2.gz LKKRWIWNOVINDV-UHFFFAOYSA-N 2 1 309.498 2.666 20 0 DFADMP CC[N@@H+](CCCNC(=O)C1CCC([NH3+])CC1)C1CCCCC1 ZINC000653200759 431307418 /nfs/dbraw/zinc/30/74/18/431307418.db2.gz PAPIBMAFHDCFBA-UHFFFAOYSA-N 2 1 309.498 2.665 20 0 DFADMP C[C@H]1CC[N@@H+](Cc2ccccc2)CCN1CC[NH2+]C(C)(C)C ZINC000666636646 431309661 /nfs/dbraw/zinc/30/96/61/431309661.db2.gz AURUTGQCOVDLIT-KRWDZBQOSA-N 2 1 303.494 2.971 20 0 DFADMP C[C@@H]1C[C@H](C[N@H+]2CC[C@H](N(C)Cc3ccccc3)C2)CC[NH2+]1 ZINC000666645445 431311805 /nfs/dbraw/zinc/31/18/05/431311805.db2.gz SRCQPNQEQBNZNH-QRQLOZEOSA-N 2 1 301.478 2.581 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000660200735 431315152 /nfs/dbraw/zinc/31/51/52/431315152.db2.gz TZDKDDALNIAHQT-FUHWJXTLSA-N 2 1 304.478 2.991 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH2+][C@@H]1c2ccccc2CCC1(C)C ZINC000660200735 431315157 /nfs/dbraw/zinc/31/51/57/431315157.db2.gz TZDKDDALNIAHQT-FUHWJXTLSA-N 2 1 304.478 2.991 20 0 DFADMP C[C@H]([NH3+])CNC(=O)Nc1ccccc1C[N@@H+](C)C1CCCCC1 ZINC000666656989 431315175 /nfs/dbraw/zinc/31/51/75/431315175.db2.gz AYTGZKDBUNWGLK-AWEZNQCLSA-N 2 1 318.465 2.920 20 0 DFADMP c1ccc2c(c1)C[C@@H]1[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCCO4)CC3)[C@H]21 ZINC000656261316 431339773 /nfs/dbraw/zinc/33/97/73/431339773.db2.gz IEBPHOPLBNDDBR-FFGOWVMKSA-N 2 1 312.457 2.558 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1F ZINC000656281405 431356542 /nfs/dbraw/zinc/35/65/42/431356542.db2.gz WTHXLUUEHJYPFK-MRXNPFEDSA-N 2 1 322.424 2.521 20 0 DFADMP COc1cccc(CN2CCC[C@@H]([NH+]3CCOCC3)CC2)c1F ZINC000656281405 431356548 /nfs/dbraw/zinc/35/65/48/431356548.db2.gz WTHXLUUEHJYPFK-MRXNPFEDSA-N 2 1 322.424 2.521 20 0 DFADMP CC[N@H+](C)C[C@H](O)C[NH+](CCc1ccc(F)cc1)CC(C)C ZINC000653522105 431417952 /nfs/dbraw/zinc/41/79/52/431417952.db2.gz UWBFNHCMJCXKSN-SFHVURJKSA-N 2 1 310.457 2.639 20 0 DFADMP CC[N@@H+](C)C[C@H](O)C[NH+](CCc1ccc(F)cc1)CC(C)C ZINC000653522105 431417957 /nfs/dbraw/zinc/41/79/57/431417957.db2.gz UWBFNHCMJCXKSN-SFHVURJKSA-N 2 1 310.457 2.639 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@H+](CCc1ccc(F)cc1)CC(C)C ZINC000653522105 431417961 /nfs/dbraw/zinc/41/79/61/431417961.db2.gz UWBFNHCMJCXKSN-SFHVURJKSA-N 2 1 310.457 2.639 20 0 DFADMP CC[NH+](C)C[C@H](O)C[N@@H+](CCc1ccc(F)cc1)CC(C)C ZINC000653522105 431417966 /nfs/dbraw/zinc/41/79/66/431417966.db2.gz UWBFNHCMJCXKSN-SFHVURJKSA-N 2 1 310.457 2.639 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@H+](C)CCO[C@@H]1CC1(F)F ZINC000660416771 431419472 /nfs/dbraw/zinc/41/94/72/431419472.db2.gz OROVXRFWQLHVAF-CYBMUJFWSA-N 2 1 301.381 2.582 20 0 DFADMP CCCn1cc[nH+]c1CCC[N@@H+](C)CCO[C@@H]1CC1(F)F ZINC000660416771 431419481 /nfs/dbraw/zinc/41/94/81/431419481.db2.gz OROVXRFWQLHVAF-CYBMUJFWSA-N 2 1 301.381 2.582 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)c(C(C)(C)C)n1 ZINC000663346241 431375667 /nfs/dbraw/zinc/37/56/67/431375667.db2.gz RLUYBONCMIFWHC-MRXNPFEDSA-N 2 1 318.509 2.929 20 0 DFADMP Cn1cc(C[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)c(C(C)(C)C)n1 ZINC000663346241 431375672 /nfs/dbraw/zinc/37/56/72/431375672.db2.gz RLUYBONCMIFWHC-MRXNPFEDSA-N 2 1 318.509 2.929 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344824 431376015 /nfs/dbraw/zinc/37/60/15/431376015.db2.gz YEVLYSHIYKGPPY-MRXNPFEDSA-N 2 1 316.493 2.899 20 0 DFADMP Cn1ncc(C2CCC2)c1C[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663344824 431376021 /nfs/dbraw/zinc/37/60/21/431376021.db2.gz YEVLYSHIYKGPPY-MRXNPFEDSA-N 2 1 316.493 2.899 20 0 DFADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)n21 ZINC000663345035 431376193 /nfs/dbraw/zinc/37/61/93/431376193.db2.gz FYGDUVIIXUUSFX-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP Cc1cccc2ncc(C[NH2+]C[C@H]3CCC[N@@H+](CC4CC4)C3)n21 ZINC000663345035 431376196 /nfs/dbraw/zinc/37/61/96/431376196.db2.gz FYGDUVIIXUUSFX-QGZVFWFLSA-N 2 1 312.461 2.854 20 0 DFADMP c1ccc(COc2ccccc2C[NH2+][C@H]2CCC[NH2+]CC2)nc1 ZINC000666855545 431386644 /nfs/dbraw/zinc/38/66/44/431386644.db2.gz ZFURZAKHHRKQHS-KRWDZBQOSA-N 2 1 311.429 2.892 20 0 DFADMP COc1sc(C[NH2+][C@H]2CCC[NH2+]CC2)cc1Br ZINC000666856367 431386662 /nfs/dbraw/zinc/38/66/62/431386662.db2.gz DIHWTOFHZKNOCJ-VIFPVBQESA-N 2 1 319.268 2.751 20 0 DFADMP CO[C@H](C[N@H+](C)C[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000660347937 431392441 /nfs/dbraw/zinc/39/24/41/431392441.db2.gz LHPXLWGTODMXEZ-NVXWUHKLSA-N 2 1 305.466 2.973 20 0 DFADMP CO[C@H](C[N@@H+](C)C[C@H]1CCc2[nH+]ccn2C1)C1CCCCC1 ZINC000660347937 431392449 /nfs/dbraw/zinc/39/24/49/431392449.db2.gz LHPXLWGTODMXEZ-NVXWUHKLSA-N 2 1 305.466 2.973 20 0 DFADMP C[C@H]1CCN(c2nc(N3CCCC(C)(C)C3)cc[nH+]2)C[C@H]1C[NH3+] ZINC000653472464 431393937 /nfs/dbraw/zinc/39/39/37/431393937.db2.gz QUGVDNTUFNALDY-LSDHHAIUSA-N 2 1 317.481 2.524 20 0 DFADMP C[C@@H]1C[N@H+](CCCC[NH2+]Cc2ccc3c(n2)CCC3)C[C@H](C)O1 ZINC000656493480 431409602 /nfs/dbraw/zinc/40/96/02/431409602.db2.gz CEYGMTDBFLVVOS-IYBDPMFKSA-N 2 1 317.477 2.549 20 0 DFADMP C[N@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656499527 431411122 /nfs/dbraw/zinc/41/11/22/431411122.db2.gz QLWFLEOUFPZLJD-RBUKOAKNSA-N 2 1 324.472 2.652 20 0 DFADMP C[N@@H+](C[C@@H]1CCc2[nH+]ccn2C1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000656499527 431411129 /nfs/dbraw/zinc/41/11/29/431411129.db2.gz QLWFLEOUFPZLJD-RBUKOAKNSA-N 2 1 324.472 2.652 20 0 DFADMP CC[N@@H+]1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474686 431438181 /nfs/dbraw/zinc/43/81/81/431438181.db2.gz PGYNGEGSSVQHRY-FZMZJTMJSA-N 2 1 301.356 2.920 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+]Cc2cnccc2C(F)(F)F)[C@@H](C)C1 ZINC000663474686 431438188 /nfs/dbraw/zinc/43/81/88/431438188.db2.gz PGYNGEGSSVQHRY-FZMZJTMJSA-N 2 1 301.356 2.920 20 0 DFADMP CC[C@@H]1CN(C(=O)[C@H](c2cccc(Cl)c2)[NH+](C)C)CC[C@H]1[NH3+] ZINC000647012116 431445663 /nfs/dbraw/zinc/44/56/63/431445663.db2.gz OFLAEAYXPAHCFW-WQVCFCJDSA-N 2 1 323.868 2.529 20 0 DFADMP COc1ccc(OC(F)F)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663497875 431446483 /nfs/dbraw/zinc/44/64/83/431446483.db2.gz HSRRXXQOCXDGLL-CYBMUJFWSA-N 2 1 302.365 2.760 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H](C4CC[NH2+]CC4)C3)c2c1C ZINC000656609354 431448661 /nfs/dbraw/zinc/44/86/61/431448661.db2.gz NHNIMUWRZQYDNE-OAHLLOKOSA-N 2 1 313.449 2.791 20 0 DFADMP COc1cccc([C@@H](C)[N@H+]2CCC[C@@H](N3CCOCC3)CC2)c1 ZINC000660475948 431449306 /nfs/dbraw/zinc/44/93/06/431449306.db2.gz ZZLJUSIVBHIMDV-SJLPKXTDSA-N 2 1 318.461 2.943 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@@H](C[N@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000663607222 431480628 /nfs/dbraw/zinc/48/06/28/431480628.db2.gz FXAIZLCKCJSKQU-IRXDYDNUSA-N 2 1 317.477 2.973 20 0 DFADMP Cc1cc(CO)cc(N2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)[nH+]1 ZINC000663607222 431480631 /nfs/dbraw/zinc/48/06/31/431480631.db2.gz FXAIZLCKCJSKQU-IRXDYDNUSA-N 2 1 317.477 2.973 20 0 DFADMP OC[C@H](C[NH2+]C1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000656625282 431452654 /nfs/dbraw/zinc/45/26/54/431452654.db2.gz IIUQXDBUJXDINK-AWEZNQCLSA-N 2 1 308.853 2.632 20 0 DFADMP CCC[C@H](NC[C@@H](O)C[N@@H+](C)CC)c1ccc(F)cc1F ZINC000653607063 431458077 /nfs/dbraw/zinc/45/80/77/431458077.db2.gz RNGLNQRVZZLTTI-CJNGLKHVSA-N 2 1 300.393 2.708 20 0 DFADMP C[N@H+]1CC[C@@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@@H]2C1 ZINC000660509125 431466735 /nfs/dbraw/zinc/46/67/35/431466735.db2.gz WWVONDOXOGZWTF-AFYVEPGGSA-N 2 1 314.473 2.975 20 0 DFADMP C[N@@H+](CCc1noc2ccccc21)C[C@H]1CCn2ccnc2C1 ZINC000653646741 431472423 /nfs/dbraw/zinc/47/24/23/431472423.db2.gz AOWCHLCQMITQEV-AWEZNQCLSA-N 2 1 310.401 2.761 20 0 DFADMP C[N@H+](CCc1noc2ccccc12)C[C@H]1CCn2cc[nH+]c2C1 ZINC000653646741 431472426 /nfs/dbraw/zinc/47/24/26/431472426.db2.gz AOWCHLCQMITQEV-AWEZNQCLSA-N 2 1 310.401 2.761 20 0 DFADMP C[N@@H+](CCc1noc2ccccc12)C[C@H]1CCn2cc[nH+]c2C1 ZINC000653646741 431472428 /nfs/dbraw/zinc/47/24/28/431472428.db2.gz AOWCHLCQMITQEV-AWEZNQCLSA-N 2 1 310.401 2.761 20 0 DFADMP c1ccc(C[N@H+]2CCC[C@H](c3nc([C@H]4CCC[NH2+]4)no3)C2)cc1 ZINC000647151389 431479528 /nfs/dbraw/zinc/47/95/28/431479528.db2.gz DPNYIWVYRPDZEU-JKSUJKDBSA-N 2 1 312.417 2.874 20 0 DFADMP CCC[N@@H+](C)CC(C)(C)NC(=O)Nc1ccn2ccnc2c1 ZINC000666974293 431431692 /nfs/dbraw/zinc/43/16/92/431431692.db2.gz MRYUXAFINAITOH-UHFFFAOYSA-N 2 1 303.410 2.576 20 0 DFADMP COc1cccc(C[C@H](C)[NH2+]C[C@H]2CCC[N@@H+](CC3CC3)C2)n1 ZINC000663468771 431435404 /nfs/dbraw/zinc/43/54/04/431435404.db2.gz MRWNXFAIERBOCK-DOTOQJQBSA-N 2 1 317.477 2.733 20 0 DFADMP COC[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC[N@@H+](CC2CC2)C1 ZINC000663468547 431436032 /nfs/dbraw/zinc/43/60/32/431436032.db2.gz MATGOLHQVBCHJI-WOJBJXKFSA-N 2 1 316.489 2.956 20 0 DFADMP CC(C)(C)c1n[nH]cc1C[N@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786946 431522518 /nfs/dbraw/zinc/52/25/18/431522518.db2.gz XYKKWOCQJSFAAE-OAHLLOKOSA-N 2 1 304.482 2.919 20 0 DFADMP COc1cc(C[NH2+]CC2([NH3+])CCCC2)c(SC)cc1OC ZINC000656788119 431523015 /nfs/dbraw/zinc/52/30/15/431523015.db2.gz CJDZUMVVOHCQIJ-UHFFFAOYSA-N 2 1 310.463 2.787 20 0 DFADMP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2[NH2+]CC[C@H]2CCOC2)cc1 ZINC000656790075 431526232 /nfs/dbraw/zinc/52/62/32/431526232.db2.gz IQTODIZOKWWXGM-SNRMKQJTSA-N 2 1 318.461 2.547 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000647249411 431527627 /nfs/dbraw/zinc/52/76/27/431527627.db2.gz YHURFDXBCRIPOD-AEFFLSMTSA-N 2 1 311.429 2.525 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)n1 ZINC000647249411 431527632 /nfs/dbraw/zinc/52/76/32/431527632.db2.gz YHURFDXBCRIPOD-AEFFLSMTSA-N 2 1 311.429 2.525 20 0 DFADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647249292 431529913 /nfs/dbraw/zinc/52/99/13/431529913.db2.gz PUBQWJIUXRPRJE-MJGOQNOKSA-N 2 1 312.461 2.899 20 0 DFADMP CC(C)n1nccc1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647249292 431529918 /nfs/dbraw/zinc/52/99/18/431529918.db2.gz PUBQWJIUXRPRJE-MJGOQNOKSA-N 2 1 312.461 2.899 20 0 DFADMP O[C@H](C[NH2+]Cc1ccc(-c2cccs2)cc1)C[NH+]1CCCC1 ZINC000656704877 431484451 /nfs/dbraw/zinc/48/44/51/431484451.db2.gz LHBJIXSKFAWRAK-QGZVFWFLSA-N 2 1 316.470 2.961 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)C[NH+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000656699825 431486663 /nfs/dbraw/zinc/48/66/63/431486663.db2.gz WBUYKMVIFCSOQD-NZSAHSFTSA-N 2 1 304.478 2.813 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000656699825 431486671 /nfs/dbraw/zinc/48/66/71/431486671.db2.gz WBUYKMVIFCSOQD-NZSAHSFTSA-N 2 1 304.478 2.813 20 0 DFADMP CC(C)[NH+](C)C[C@H](O)C[N@H+]1CC[C@@H](c2ccccc2)[C@H](C)C1 ZINC000656699825 431486678 /nfs/dbraw/zinc/48/66/78/431486678.db2.gz WBUYKMVIFCSOQD-NZSAHSFTSA-N 2 1 304.478 2.813 20 0 DFADMP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647168287 431488768 /nfs/dbraw/zinc/48/87/68/431488768.db2.gz PINBRTZPNKQSSZ-INIZCTEOSA-N 2 1 313.449 2.621 20 0 DFADMP C[C@H]1CCCC[N@H+]1CCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647168287 431488773 /nfs/dbraw/zinc/48/87/73/431488773.db2.gz PINBRTZPNKQSSZ-INIZCTEOSA-N 2 1 313.449 2.621 20 0 DFADMP C[C@@H]1CN(c2cccc(Cl)c2)CC[N@H+]1CCn1ccnc1 ZINC000653704462 431497351 /nfs/dbraw/zinc/49/73/51/431497351.db2.gz RWCRVJDLPVIWOF-CQSZACIVSA-N 2 1 304.825 2.747 20 0 DFADMP CC[N@H+]1CC[C@@H](NC[C@@H]2C[NH+](C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343971 431558705 /nfs/dbraw/zinc/55/87/05/431558705.db2.gz GTFJNXSCJSSPBN-RSPOEFSDSA-N 2 1 315.505 2.652 20 0 DFADMP CC[NH+]1CC[C@@H](NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343971 431558710 /nfs/dbraw/zinc/55/87/10/431558710.db2.gz GTFJNXSCJSSPBN-RSPOEFSDSA-N 2 1 315.505 2.652 20 0 DFADMP CC[NH+]1CC[C@@H](NC[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)[C@H](C)C1 ZINC000647343971 431558712 /nfs/dbraw/zinc/55/87/12/431558712.db2.gz GTFJNXSCJSSPBN-RSPOEFSDSA-N 2 1 315.505 2.652 20 0 DFADMP C[C@@H]([NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1)[C@H]1CCCOC1 ZINC000647344657 431562177 /nfs/dbraw/zinc/56/21/77/431562177.db2.gz WIKQACFJHMQCOZ-LULLPPNCSA-N 2 1 302.462 2.737 20 0 DFADMP C[NH+](CCN1CCC[C@@]2(CC[N@@H+](C)C2)C1)Cc1ccccc1 ZINC000660664179 431538998 /nfs/dbraw/zinc/53/89/98/431538998.db2.gz QLPYQPXIDKHIHI-IBGZPJMESA-N 2 1 301.478 2.536 20 0 DFADMP COc1cncc(/C=C\CC[N@H+]2CCC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000660662415 431539687 /nfs/dbraw/zinc/53/96/87/431539687.db2.gz KAIKANAVIDGEKM-WSGSOLELSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CCC[C@]3(CC[N@H+](C)C3)C2)c1 ZINC000660662415 431539693 /nfs/dbraw/zinc/53/96/93/431539693.db2.gz KAIKANAVIDGEKM-WSGSOLELSA-N 2 1 315.461 2.911 20 0 DFADMP COc1cncc(/C=C\CC[NH+]2CCC[C@]3(CC[N@@H+](C)C3)C2)c1 ZINC000660662415 431539697 /nfs/dbraw/zinc/53/96/97/431539697.db2.gz KAIKANAVIDGEKM-WSGSOLELSA-N 2 1 315.461 2.911 20 0 DFADMP C[C@@H]1C[C@H](C)C[N@H+](CCN2CC[NH+](C)C3(CCCCC3)C2)C1 ZINC000660673390 431545460 /nfs/dbraw/zinc/54/54/60/431545460.db2.gz SJVOTROXZXKESR-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@H+](C)C3(CCCCC3)C2)C1 ZINC000660673390 431545465 /nfs/dbraw/zinc/54/54/65/431545465.db2.gz SJVOTROXZXKESR-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP C[C@@H]1C[C@H](C)C[NH+](CCN2CC[N@@H+](C)C3(CCCCC3)C2)C1 ZINC000660673390 431545468 /nfs/dbraw/zinc/54/54/68/431545468.db2.gz SJVOTROXZXKESR-HDICACEKSA-N 2 1 307.526 2.915 20 0 DFADMP CCC[NH+]1CCC([NH2+][C@H](CC)C(=O)NCc2cccs2)CC1 ZINC000647332592 431552525 /nfs/dbraw/zinc/55/25/25/431552525.db2.gz AWWIJRHIAAPKLG-MRXNPFEDSA-N 2 1 323.506 2.607 20 0 DFADMP CC[C@@H](C)[C@@H](C)[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC1 ZINC000104966847 280115607 /nfs/dbraw/zinc/11/56/07/280115607.db2.gz VGWBHPJHWUPICO-HUUCEWRRSA-N 2 1 321.509 2.628 20 0 DFADMP CC[C@@H](CO)[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@H]21 ZINC000249183569 280150692 /nfs/dbraw/zinc/15/06/92/280150692.db2.gz JKESBSOVORLJMF-INDMIFKZSA-N 2 1 302.462 2.648 20 0 DFADMP C[C@]1(C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)OCCc2sccc21 ZINC000353610155 280158513 /nfs/dbraw/zinc/15/85/13/280158513.db2.gz LSLZVTWURPMWBN-JKIFEVAISA-N 2 1 306.475 2.752 20 0 DFADMP CCCn1nc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000647480577 431601202 /nfs/dbraw/zinc/60/12/02/431601202.db2.gz RPIPZYVPNRAHIZ-SJLPKXTDSA-N 2 1 304.482 2.874 20 0 DFADMP CCCn1nc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1C ZINC000647480577 431601209 /nfs/dbraw/zinc/60/12/09/431601209.db2.gz RPIPZYVPNRAHIZ-SJLPKXTDSA-N 2 1 304.482 2.874 20 0 DFADMP COc1cc(C)c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000647479552 431603889 /nfs/dbraw/zinc/60/38/89/431603889.db2.gz LJJPGCRAZINIJH-NVXWUHKLSA-N 2 1 303.450 2.671 20 0 DFADMP COc1cc(C)c(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(C)n1 ZINC000647479552 431603891 /nfs/dbraw/zinc/60/38/91/431603891.db2.gz LJJPGCRAZINIJH-NVXWUHKLSA-N 2 1 303.450 2.671 20 0 DFADMP Cc1cc(F)ccc1[C@@H]1CCCN1C[C@@H](O)C[N@H+](C)C(C)C ZINC000660753689 431579037 /nfs/dbraw/zinc/57/90/37/431579037.db2.gz KGUSXVFPPUBSGB-WMZOPIPTSA-N 2 1 308.441 2.972 20 0 DFADMP COc1cccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1F ZINC000650707848 431653165 /nfs/dbraw/zinc/65/31/65/431653165.db2.gz ODOJOJIOAXBQSN-QRTARXTBSA-N 2 1 322.424 2.553 20 0 DFADMP Cc1ccc(F)c(C[N@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)c1 ZINC000650706670 431653290 /nfs/dbraw/zinc/65/32/90/431653290.db2.gz PYLWVXGCRBWWFC-ZVZYQTTQSA-N 2 1 306.425 2.852 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1 ZINC000650705588 431654139 /nfs/dbraw/zinc/65/41/39/431654139.db2.gz MMLWBKHQFRTXKD-OTWHNJEPSA-N 2 1 302.462 2.967 20 0 DFADMP CC1(C)Cc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)ccc2O1 ZINC000650709634 431655974 /nfs/dbraw/zinc/65/59/74/431655974.db2.gz JGFDEQCGJAUVGU-LPHOPBHVSA-N 2 1 300.446 2.961 20 0 DFADMP CC(C)n1ncc2cc(C[N@H+]3C[C@@H]4CCC[C@]4(C[NH3+])C3)cnc21 ZINC000650709240 431656249 /nfs/dbraw/zinc/65/62/49/431656249.db2.gz LWKFAJOYNNOVOT-WMZOPIPTSA-N 2 1 313.449 2.573 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1c(F)cccc1N1CCCC1)C2 ZINC000650708502 431657484 /nfs/dbraw/zinc/65/74/84/431657484.db2.gz ATXYUYNLOIMUED-KXBFYZLASA-N 2 1 317.452 2.987 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1c(F)cccc1N1CCCC1)C2 ZINC000650708502 431657491 /nfs/dbraw/zinc/65/74/91/431657491.db2.gz ATXYUYNLOIMUED-KXBFYZLASA-N 2 1 317.452 2.987 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@H+](Cc1ccnn1-c1ccc(F)cc1)C2 ZINC000650709504 431657939 /nfs/dbraw/zinc/65/79/39/431657939.db2.gz BXURNKGZISVVBJ-KSSFIOAISA-N 2 1 314.408 2.572 20 0 DFADMP [NH3+]C[C@]12CCC[C@H]1C[N@@H+](Cc1ccnn1-c1ccc(F)cc1)C2 ZINC000650709504 431657943 /nfs/dbraw/zinc/65/79/43/431657943.db2.gz BXURNKGZISVVBJ-KSSFIOAISA-N 2 1 314.408 2.572 20 0 DFADMP C[C@@H]1CCC[N@@H+](Cc2ccc(N3CCCC3)nc2)[C@H]1CC[NH3+] ZINC000650711469 431660306 /nfs/dbraw/zinc/66/03/06/431660306.db2.gz UOGZIGLBNOWPOG-WBVHZDCISA-N 2 1 302.466 2.631 20 0 DFADMP CC[C@@H]1C[N@@H+](Cc2ccc(OC[C@H]3CCCO3)cc2)CC[C@H]1[NH3+] ZINC000647499016 431610098 /nfs/dbraw/zinc/61/00/98/431610098.db2.gz WYZRSBNXSMQRJW-BHIYHBOVSA-N 2 1 318.461 2.804 20 0 DFADMP Nc1ccc(C[N@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000647532612 431617530 /nfs/dbraw/zinc/61/75/30/431617530.db2.gz UCZVXDHKRMUURE-RTBURBONSA-N 2 1 324.472 2.666 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000647535567 431620205 /nfs/dbraw/zinc/62/02/05/431620205.db2.gz KOUIIRHWNOAJSZ-CWRNSKLLSA-N 2 1 304.434 2.524 20 0 DFADMP CC[NH+]1CCC(N2CCC[N@@H+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)CC1 ZINC000660833965 431620219 /nfs/dbraw/zinc/62/02/19/431620219.db2.gz JTEBZUHOXFQIEW-QRVBRYPASA-N 2 1 319.537 2.915 20 0 DFADMP CC[C@H](C)Oc1cc(C[N@@H+]2C[C@H]3C[NH2+]C[C@H]3C2)ccc1OC ZINC000647535567 431620209 /nfs/dbraw/zinc/62/02/09/431620209.db2.gz KOUIIRHWNOAJSZ-CWRNSKLLSA-N 2 1 304.434 2.524 20 0 DFADMP FC(F)COc1ccc(C[N@@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000647536936 431620836 /nfs/dbraw/zinc/62/08/36/431620836.db2.gz JBENKGYNQXTMRQ-QGZVFWFLSA-N 2 1 310.388 2.906 20 0 DFADMP FC(F)COc1ccc(C[N@H+]2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000647536936 431620842 /nfs/dbraw/zinc/62/08/42/431620842.db2.gz JBENKGYNQXTMRQ-QGZVFWFLSA-N 2 1 310.388 2.906 20 0 DFADMP CC(C)(C)n1cc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)cn1 ZINC000647542764 431622684 /nfs/dbraw/zinc/62/26/84/431622684.db2.gz BNWGGKISVOBOTC-SJORKVTESA-N 2 1 304.482 2.850 20 0 DFADMP COc1cc(C)nc(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1 ZINC000647542865 431624141 /nfs/dbraw/zinc/62/41/41/431624141.db2.gz DCDPQQBORFXGNT-CVEARBPZSA-N 2 1 303.450 2.610 20 0 DFADMP CCOc1cccc(C[N@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)n1 ZINC000647543960 431624602 /nfs/dbraw/zinc/62/46/02/431624602.db2.gz UVRMOJLXIYCFTA-JKSUJKDBSA-N 2 1 303.450 2.692 20 0 DFADMP CCn1nc(C)c(C[N@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)c1C ZINC000647542988 431625086 /nfs/dbraw/zinc/62/50/86/431625086.db2.gz FWAQWLFMEYJMTG-SJORKVTESA-N 2 1 304.482 2.731 20 0 DFADMP CC(=O)Nc1ccccc1C[N@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543523 431625418 /nfs/dbraw/zinc/62/54/18/431625418.db2.gz ORXBYXASJZKIII-IRXDYDNUSA-N 2 1 315.461 2.857 20 0 DFADMP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[NH2+]C[C@@H](C)C2)cc1OC ZINC000647549396 431627070 /nfs/dbraw/zinc/62/70/70/431627070.db2.gz XMZCSKOGWMXFHV-ZFWWWQNUSA-N 2 1 306.450 2.569 20 0 DFADMP c1cc(OCC[NH+]2CCCC2)ccc1C[N@H+]1C[C@@H]2C[C@H]1CS2 ZINC000657260457 431641962 /nfs/dbraw/zinc/64/19/62/431641962.db2.gz VDNIXRLZPNMDIT-WMZOPIPTSA-N 2 1 318.486 2.851 20 0 DFADMP Cc1[nH]c2nc[nH+]c(N3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)c2c1C ZINC000647708399 431664073 /nfs/dbraw/zinc/66/40/73/431664073.db2.gz KWHHFLQKDYERCG-HUUCEWRRSA-N 2 1 313.449 2.791 20 0 DFADMP CCOc1cccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000650721747 431665112 /nfs/dbraw/zinc/66/51/12/431665112.db2.gz ABZRWEFCYWIBFG-BHIYHBOVSA-N 2 1 318.461 2.946 20 0 DFADMP COc1ccsc1C[N@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000650723320 431665935 /nfs/dbraw/zinc/66/59/35/431665935.db2.gz LHDPWSLECZTEEZ-NFAWXSAZSA-N 2 1 310.463 2.618 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650721857 431666345 /nfs/dbraw/zinc/66/63/45/431666345.db2.gz DGYDTMVZIXGVIE-YQVWRLOYSA-N 2 1 318.461 2.864 20 0 DFADMP c1cc(C[N@H+]2C[C@@H]3CCCC[C@@H]32)ccc1CN1CCOCC1 ZINC000660934266 431667386 /nfs/dbraw/zinc/66/73/86/431667386.db2.gz OKLNTVUEPACSDI-OALUTQOASA-N 2 1 300.446 2.893 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934266 431667395 /nfs/dbraw/zinc/66/73/95/431667395.db2.gz OKLNTVUEPACSDI-OALUTQOASA-N 2 1 300.446 2.893 20 0 DFADMP c1cc(C[NH+]2CCOCC2)ccc1C[N@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000660934266 431667399 /nfs/dbraw/zinc/66/73/99/431667399.db2.gz OKLNTVUEPACSDI-OALUTQOASA-N 2 1 300.446 2.893 20 0 DFADMP COc1ccc(C[N@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c(F)c1 ZINC000650724342 431668475 /nfs/dbraw/zinc/66/84/75/431668475.db2.gz DESWPMPNYCEKAU-BMGDILEWSA-N 2 1 322.424 2.695 20 0 DFADMP Cc1[nH+]ccn1CCC[NH2+]Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000657319398 431673362 /nfs/dbraw/zinc/67/33/62/431673362.db2.gz WXWKZTQDUFQIPH-GOSISDBHSA-N 2 1 315.417 2.539 20 0 DFADMP CCOc1ccc(C[NH2+]C2CC[NH+](CCOC)CC2)c(C)c1 ZINC000657331099 431680743 /nfs/dbraw/zinc/68/07/43/431680743.db2.gz NWUCVNMHFYMAIZ-UHFFFAOYSA-N 2 1 306.450 2.594 20 0 DFADMP CC[C@@H]1C[C@H]([NH2+]Cc2ccc(-n3cc[nH+]c3C)c(F)c2)CO1 ZINC000657329409 431680769 /nfs/dbraw/zinc/68/07/69/431680769.db2.gz QMTXAZJEBQSVST-LSDHHAIUSA-N 2 1 303.381 2.977 20 0 DFADMP CC[N@@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647786530 431684046 /nfs/dbraw/zinc/68/40/46/431684046.db2.gz RCAZLWBCUBWLAG-CEXWTWQISA-N 3 1 301.478 2.616 20 0 DFADMP Brc1ccccc1C[NH2+]Cc1cnc2n1CCC2 ZINC000657336240 431684778 /nfs/dbraw/zinc/68/47/78/431684778.db2.gz OPOMXECRLOYQBS-UHFFFAOYSA-N 2 1 306.207 2.882 20 0 DFADMP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CC[N@@H+](Cc2ccccc2)C1 ZINC000650762679 431685115 /nfs/dbraw/zinc/68/51/15/431685115.db2.gz HSMLKOINMZIDRG-YLJYHZDGSA-N 3 1 315.505 2.876 20 0 DFADMP C[C@@H]([NH2+]CCC1CC[NH2+]CC1)[C@@H]1CCN(Cc2ccccc2)C1 ZINC000650762679 431685120 /nfs/dbraw/zinc/68/51/20/431685120.db2.gz HSMLKOINMZIDRG-YLJYHZDGSA-N 2 1 315.505 2.876 20 0 DFADMP c1ccc(CCCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)cc1 ZINC000647788516 431686900 /nfs/dbraw/zinc/68/69/00/431686900.db2.gz LBUFRGALTNJRCK-GUDVDZBRSA-N 2 1 302.462 2.756 20 0 DFADMP CC[C@@H]1CCC[N@@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790438 431687150 /nfs/dbraw/zinc/68/71/50/431687150.db2.gz YJLHCICFNYIJHI-ZJPYXAASSA-N 3 1 307.526 2.865 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1 ZINC000647790438 431687154 /nfs/dbraw/zinc/68/71/54/431687154.db2.gz YJLHCICFNYIJHI-ZJPYXAASSA-N 3 1 307.526 2.865 20 0 DFADMP CC[C@@H]1CCC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C(N)=O)C2)CC1 ZINC000657350358 431693118 /nfs/dbraw/zinc/69/31/18/431693118.db2.gz VOGJJWALKSQXRW-IKGGRYGDSA-N 2 1 309.498 2.522 20 0 DFADMP CC[C@@H]([NH2+]CCc1cn2c(cccc2C)n1)[C@@H]1CCCC[NH2+]1 ZINC000647804242 431695063 /nfs/dbraw/zinc/69/50/63/431695063.db2.gz MGJDLXGAZNOKFC-SJORKVTESA-N 2 1 300.450 2.696 20 0 DFADMP Cc1cccc2[nH]c(C[NH2+]CCCC[N@H+]3CCC[C@@H]3CO)cc21 ZINC000657355891 431695627 /nfs/dbraw/zinc/69/56/27/431695627.db2.gz CWJAABDFIRIXMR-QGZVFWFLSA-N 2 1 315.461 2.803 20 0 DFADMP CCOc1ccc(C[NH2+]CCCC[N@H+]2CCC[C@H]2CO)c(C)c1 ZINC000657357203 431701081 /nfs/dbraw/zinc/70/10/81/431701081.db2.gz YXPICNFHROMLSG-SFHVURJKSA-N 2 1 320.477 2.720 20 0 DFADMP CCCn1nccc1C[NH2+][C@@H]1CC[N@H+](CCCOCC)C[C@H]1C ZINC000657362810 431702208 /nfs/dbraw/zinc/70/22/08/431702208.db2.gz IRRBJOSSYIFBQL-SJLPKXTDSA-N 2 1 322.497 2.520 20 0 DFADMP CCCn1nccc1C[NH2+][C@@H]1CC[N@@H+](CCCOCC)C[C@H]1C ZINC000657362810 431702215 /nfs/dbraw/zinc/70/22/15/431702215.db2.gz IRRBJOSSYIFBQL-SJLPKXTDSA-N 2 1 322.497 2.520 20 0 DFADMP CCO[C@@H]1C[N@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000650715288 431663194 /nfs/dbraw/zinc/66/31/94/431663194.db2.gz XIDUNRYIAJSWGY-GDBMZVCRSA-N 2 1 317.458 2.606 20 0 DFADMP CCO[C@@H]1C[N@@H+](Cc2cnc(-c3ccccc3)s2)C[C@H]1C[NH3+] ZINC000650715288 431663200 /nfs/dbraw/zinc/66/32/00/431663200.db2.gz XIDUNRYIAJSWGY-GDBMZVCRSA-N 2 1 317.458 2.606 20 0 DFADMP COc1ccsc1C[N@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000650723321 431663988 /nfs/dbraw/zinc/66/39/88/431663988.db2.gz LHDPWSLECZTEEZ-UMVBOHGHSA-N 2 1 310.463 2.618 20 0 DFADMP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657413610 431735173 /nfs/dbraw/zinc/73/51/73/431735173.db2.gz NYYKMGCHSWQUPD-HNNXBMFYSA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)C[N@H+]1CCC[C@@H](C[NH2+]Cc2c(C3CC3)cnn2C)C1 ZINC000657413610 431735178 /nfs/dbraw/zinc/73/51/78/431735178.db2.gz NYYKMGCHSWQUPD-HNNXBMFYSA-N 2 1 304.482 2.755 20 0 DFADMP CC(C)[N@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000647959078 431749626 /nfs/dbraw/zinc/74/96/26/431749626.db2.gz VWRVSILVZYNOIJ-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP CC(C)[N@@H+](C)C[C@@H](O)C[NH+]1CCC(Cc2cccc(F)c2)CC1 ZINC000647959078 431749631 /nfs/dbraw/zinc/74/96/31/431749631.db2.gz VWRVSILVZYNOIJ-LJQANCHMSA-N 2 1 322.468 2.781 20 0 DFADMP CCC[N@@H+](C[C@@H](O)C[NH+](C)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000647960158 431752621 /nfs/dbraw/zinc/75/26/21/431752621.db2.gz JEDKKZRKVQEENB-UXHICEINSA-N 2 1 318.505 2.957 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@H+](C)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000647960158 431752626 /nfs/dbraw/zinc/75/26/26/431752626.db2.gz JEDKKZRKVQEENB-UXHICEINSA-N 2 1 318.505 2.957 20 0 DFADMP CCC[NH+](C[C@@H](O)C[N@@H+](C)C(C)C)[C@@H]1CCc2ccccc2C1 ZINC000647960158 431752631 /nfs/dbraw/zinc/75/26/31/431752631.db2.gz JEDKKZRKVQEENB-UXHICEINSA-N 2 1 318.505 2.957 20 0 DFADMP Fc1ccccc1OCC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647975881 431761666 /nfs/dbraw/zinc/76/16/66/431761666.db2.gz HDVWKRKPZAADAZ-HZPDHXFCSA-N 2 1 306.425 2.916 20 0 DFADMP C[NH+](C)CCC[N@H+](C)CCNc1ccc2ccc(F)cc2n1 ZINC000664248263 431715971 /nfs/dbraw/zinc/71/59/71/431715971.db2.gz RQTJKYMUSDQTBU-UHFFFAOYSA-N 2 1 304.413 2.669 20 0 DFADMP C[NH+](C)CCC[N@@H+](C)CCNc1ccc2ccc(F)cc2n1 ZINC000664248263 431715977 /nfs/dbraw/zinc/71/59/77/431715977.db2.gz RQTJKYMUSDQTBU-UHFFFAOYSA-N 2 1 304.413 2.669 20 0 DFADMP NC(=O)c1ccc(C[N@@H+](CCCC2CC[NH2+]CC2)C2CC2)cc1 ZINC000647878640 431716471 /nfs/dbraw/zinc/71/64/71/431716471.db2.gz VYKDNSVPZHVMQE-UHFFFAOYSA-N 2 1 315.461 2.530 20 0 DFADMP c1ccc(C[C@H]2COCC[N@@H+]2CCCC2CC[NH2+]CC2)cc1 ZINC000647877296 431717333 /nfs/dbraw/zinc/71/73/33/431717333.db2.gz NAOXUKVYRHKUCH-IBGZPJMESA-N 2 1 302.462 2.710 20 0 DFADMP Cc1c(Br)cncc1CN[C@H]1C[C@H](C)[N@H+](C2CC2)C1 ZINC000657390457 431720029 /nfs/dbraw/zinc/72/00/29/431720029.db2.gz YAISZLPMNXXDBG-GWCFXTLKSA-N 2 1 324.266 2.867 20 0 DFADMP O=C(CC[N@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(F)cc1 ZINC000647900938 431722401 /nfs/dbraw/zinc/72/24/01/431722401.db2.gz HVJJYBMWPINBTJ-PBHICJAKSA-N 2 1 319.424 2.618 20 0 DFADMP C[N@H+]1C[C@@H](CNCc2ccnn2CC2CC2)[C@H](c2ccccc2)C1 ZINC000657499897 431789213 /nfs/dbraw/zinc/78/92/13/431789213.db2.gz IVCYDWXUXUIWCR-QUCCMNQESA-N 2 1 324.472 2.728 20 0 DFADMP C[N@H+]1C[C@@H](C[NH2+]Cc2ccnn2CC2CC2)[C@H](c2ccccc2)C1 ZINC000657499897 431789220 /nfs/dbraw/zinc/78/92/20/431789220.db2.gz IVCYDWXUXUIWCR-QUCCMNQESA-N 2 1 324.472 2.728 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1coc3ccccc13)CCO2 ZINC000648072355 431807587 /nfs/dbraw/zinc/80/75/87/431807587.db2.gz ZMIQODROVNAHNJ-UHFFFAOYSA-N 2 1 300.402 2.729 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@H+](Cc1ccc3occc3c1)CCO2 ZINC000648072298 431807675 /nfs/dbraw/zinc/80/76/75/431807675.db2.gz WLZXVPXRFCBZNI-UHFFFAOYSA-N 2 1 300.402 2.729 20 0 DFADMP C[NH+]1CCC2(CC1)C[N@@H+](Cc1ccc3occc3c1)CCO2 ZINC000648072298 431807677 /nfs/dbraw/zinc/80/76/77/431807677.db2.gz WLZXVPXRFCBZNI-UHFFFAOYSA-N 2 1 300.402 2.729 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)CC[N@@H+]1Cc1ccccc1 ZINC000657560059 431807821 /nfs/dbraw/zinc/80/78/21/431807821.db2.gz SDYXCBAAEMYBPV-AYOQOUSVSA-N 2 1 302.462 2.790 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@H](CO)C2CCC2)CC[N@H+]1Cc1ccccc1 ZINC000657560059 431807826 /nfs/dbraw/zinc/80/78/26/431807826.db2.gz SDYXCBAAEMYBPV-AYOQOUSVSA-N 2 1 302.462 2.790 20 0 DFADMP COc1ccc([C@@H](C)C[N@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648072011 431807888 /nfs/dbraw/zinc/80/78/88/431807888.db2.gz GTUCVHXPFGTSCM-INIZCTEOSA-N 2 1 318.461 2.595 20 0 DFADMP O[C@@H]1CC[N@@H+](Cc2ccc(C[NH2+]CC3CCCCC3)cc2)C1 ZINC000657596749 431820541 /nfs/dbraw/zinc/82/05/41/431820541.db2.gz YPAYUPCJKUDCKX-LJQANCHMSA-N 2 1 302.462 2.923 20 0 DFADMP C[N@H+]1C[C@H]2CCN(Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000664570340 431821936 /nfs/dbraw/zinc/82/19/36/431821936.db2.gz FLMDMUWPACBUJI-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2CC[N@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000664570340 431821941 /nfs/dbraw/zinc/82/19/41/431821941.db2.gz FLMDMUWPACBUJI-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2CC[N@@H+](Cc3cccc(C[NH+]4CCCCC4)c3)[C@H]2C1 ZINC000664570340 431821945 /nfs/dbraw/zinc/82/19/45/431821945.db2.gz FLMDMUWPACBUJI-UXHICEINSA-N 2 1 313.489 2.808 20 0 DFADMP O[C@H]1CC[N@@H+](Cc2ccc(C[NH2+]Cc3cccc(F)c3)cc2)C1 ZINC000657594209 431822127 /nfs/dbraw/zinc/82/21/27/431822127.db2.gz GLNWPMMGKGJAPQ-IBGZPJMESA-N 2 1 314.404 2.682 20 0 DFADMP C[N@H+]1C[C@H]2CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000664570525 431822128 /nfs/dbraw/zinc/82/21/28/431822128.db2.gz WQNXFAUGHNFYKY-WOJBJXKFSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2CC[N@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000664570525 431822133 /nfs/dbraw/zinc/82/21/33/431822133.db2.gz WQNXFAUGHNFYKY-WOJBJXKFSA-N 2 1 313.489 2.808 20 0 DFADMP CN1C[C@H]2CC[N@@H+](Cc3ccc(C[NH+]4CCCCC4)cc3)[C@@H]2C1 ZINC000664570525 431822140 /nfs/dbraw/zinc/82/21/40/431822140.db2.gz WQNXFAUGHNFYKY-WOJBJXKFSA-N 2 1 313.489 2.808 20 0 DFADMP C[C@H]([NH2+]CC(C)(C)C[N@@H+](C)Cc1ccccc1)C1(CO)CC1 ZINC000657603632 431823907 /nfs/dbraw/zinc/82/39/07/431823907.db2.gz PRJCVZAVPGRJAJ-INIZCTEOSA-N 2 1 304.478 2.895 20 0 DFADMP C[C@@H](COc1c(F)cccc1F)[NH2+][C@H]1CC[N@H+]2CCC[C@H]2C1 ZINC000657629086 431828989 /nfs/dbraw/zinc/82/89/89/431828989.db2.gz ZTOHCZUSFCHDIV-IHRRRGAJSA-N 2 1 310.388 2.949 20 0 DFADMP C[NH+](C)C1(C[NH2+][C@H]2CCC[C@@H](c3cccnc3)C2)CCOCC1 ZINC000375592933 282045910 /nfs/dbraw/zinc/04/59/10/282045910.db2.gz VLZCVVNFLJANSF-AEFFLSMTSA-N 2 1 317.477 2.808 20 0 DFADMP CN(CCC[N@@H+](C)C[C@@H]1C[C@@H]1c1ccccc1)CC[NH+](C)C ZINC000361395520 289132091 /nfs/dbraw/zinc/13/20/91/289132091.db2.gz OTMFVEOYVHWXSD-RBUKOAKNSA-N 2 1 303.494 2.605 20 0 DFADMP C[C@H](C(=O)N1CCC[NH+](C2CCCC2)CC1)[N@@H+]1[C@H](C)CC[C@@H]1C ZINC000247363967 289269704 /nfs/dbraw/zinc/26/97/04/289269704.db2.gz MTQUGIPSIXHTBX-IXDOHACOSA-N 2 1 321.509 2.725 20 0 DFADMP C[C@H](C(=O)N1CCC[N@@H+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247363967 289269706 /nfs/dbraw/zinc/26/97/06/289269706.db2.gz MTQUGIPSIXHTBX-IXDOHACOSA-N 2 1 321.509 2.725 20 0 DFADMP C[C@H](C(=O)N1CCC[N@H+](C2CCCC2)CC1)[NH+]1[C@H](C)CC[C@@H]1C ZINC000247363967 289269711 /nfs/dbraw/zinc/26/97/11/289269711.db2.gz MTQUGIPSIXHTBX-IXDOHACOSA-N 2 1 321.509 2.725 20 0 DFADMP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@H+]2CCSC(C)(C)C ZINC000370172467 289323364 /nfs/dbraw/zinc/32/33/64/289323364.db2.gz KXJBGRZZISFUGP-KFWWJZLASA-N 2 1 300.512 2.702 20 0 DFADMP C[C@H]1CCCCC[N@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000354846899 290371568 /nfs/dbraw/zinc/37/15/68/290371568.db2.gz DOTZSINIVZNSEG-FUHWJXTLSA-N 2 1 317.477 2.670 20 0 DFADMP Cc1ccc2[nH+]ccc(N3CCC([N@H+](C)C[C@H](C)O)CC3)c2c1 ZINC000436433077 297003227 /nfs/dbraw/zinc/00/32/27/297003227.db2.gz MHQBPHZCQKNARU-HNNXBMFYSA-N 2 1 313.445 2.825 20 0 DFADMP C[C@H](NCC1([NH+](C)C)CCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000437074372 297053761 /nfs/dbraw/zinc/05/37/61/297053761.db2.gz IREGACGGCCFTQJ-INIZCTEOSA-N 2 1 319.493 2.762 20 0 DFADMP COC(=O)C(C)(C)CC[NH2+]C[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437343278 297060187 /nfs/dbraw/zinc/06/01/87/297060187.db2.gz CKFUPHSNMIDGSC-MRXNPFEDSA-N 2 1 310.482 2.962 20 0 DFADMP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCC[N@H+]1C1CCCCC1 ZINC000437870761 297072935 /nfs/dbraw/zinc/07/29/35/297072935.db2.gz SSLAZBQQFCQNKG-JFIYKMOQSA-N 2 1 321.509 2.773 20 0 DFADMP [NH3+]CCOCC[N@H+]1CCc2sccc2[C@@H]1c1cccs1 ZINC000357038505 295235105 /nfs/dbraw/zinc/23/51/05/295235105.db2.gz YZJIQSMAKPZTLX-OAHLLOKOSA-N 2 1 308.472 2.732 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@H+](C)[C@H](C)C1)CCCO2 ZINC000361763358 295276375 /nfs/dbraw/zinc/27/63/75/295276375.db2.gz HRBRYWVLFFWJTL-JKIFEVAISA-N 2 1 304.434 2.981 20 0 DFADMP COc1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+](C)[C@H](C)C1)CCCO2 ZINC000361763358 295276377 /nfs/dbraw/zinc/27/63/77/295276377.db2.gz HRBRYWVLFFWJTL-JKIFEVAISA-N 2 1 304.434 2.981 20 0 DFADMP Cc1[nH+]ccn1C[C@@H](C)C[NH2+]CC(C)(C)NC(=O)OC(C)(C)C ZINC000495347710 299920745 /nfs/dbraw/zinc/92/07/45/299920745.db2.gz MWGBHGJDFIAHGD-ZDUSSCGKSA-N 2 1 324.469 2.721 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1CCC[N@@H+](C)C1)c1ccc2c(c1)OCCO2 ZINC000158147460 295359067 /nfs/dbraw/zinc/35/90/67/295359067.db2.gz QYFGGBXMYSCVGU-ZBFHGGJFSA-N 2 1 304.434 2.840 20 0 DFADMP O[C@@H]1CCCC[C@H]1C[NH2+]C1CC[NH+](Cc2ccccc2)CC1 ZINC000158240012 295360565 /nfs/dbraw/zinc/36/05/65/295360565.db2.gz KLLSTVPMXSFWMA-PKOBYXMFSA-N 2 1 302.462 2.792 20 0 DFADMP CCC[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)c1ccccn1 ZINC000159020927 295370919 /nfs/dbraw/zinc/37/09/19/295370919.db2.gz GUHQQFMHJIFKPI-KRWDZBQOSA-N 2 1 304.482 2.540 20 0 DFADMP C[C@@H]1CC[C@@H](C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)O1 ZINC000398067488 295489806 /nfs/dbraw/zinc/48/98/06/295489806.db2.gz HYUCQORXIXPDOL-APWZRJJASA-N 2 1 302.462 2.851 20 0 DFADMP c1ccc(C[NH+]2CCC([NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)CC2)cc1 ZINC000401045803 295499414 /nfs/dbraw/zinc/49/94/14/295499414.db2.gz VRTLFVGTXOZXHA-NLWGTHIKSA-N 3 1 313.489 2.629 20 0 DFADMP CC(C)[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C1CCCC1)C(C)C ZINC000438568022 297099316 /nfs/dbraw/zinc/09/93/16/297099316.db2.gz OGGNVHSAFWFJSD-KRWDZBQOSA-N 2 1 309.498 2.628 20 0 DFADMP Cc1noc(C2CCC([NH2+]C3CC[NH+](C4CC4)CC3)CC2)n1 ZINC000438834973 297104664 /nfs/dbraw/zinc/10/46/64/297104664.db2.gz LJZAMCSUVHHJLR-UHFFFAOYSA-N 2 1 304.438 2.621 20 0 DFADMP O=C(N[C@H]1CC[N@H+](C2CCCC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC000439829243 297139388 /nfs/dbraw/zinc/13/93/88/297139388.db2.gz GAEBQTDSYVQTDI-YJBOKZPZSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC000439829243 297139390 /nfs/dbraw/zinc/13/93/90/297139390.db2.gz GAEBQTDSYVQTDI-YJBOKZPZSA-N 2 1 319.493 2.527 20 0 DFADMP O=C(N[C@H]1CC[NH+](C2CCCC2)C1)[C@@H]1CCC[N@H+]1C1CCCC1 ZINC000439829243 297139393 /nfs/dbraw/zinc/13/93/93/297139393.db2.gz GAEBQTDSYVQTDI-YJBOKZPZSA-N 2 1 319.493 2.527 20 0 DFADMP C[C@@H]1CCC[C@H](C)[N@@H+]1CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC000439831015 297139730 /nfs/dbraw/zinc/13/97/30/297139730.db2.gz BKTRQRJBHQVFQI-SOLBZPMBSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC000439831015 297139731 /nfs/dbraw/zinc/13/97/31/297139731.db2.gz BKTRQRJBHQVFQI-SOLBZPMBSA-N 2 1 321.509 2.773 20 0 DFADMP C[C@@H]1CCC[C@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@H+]1C1CCCC1 ZINC000439831015 297139733 /nfs/dbraw/zinc/13/97/33/297139733.db2.gz BKTRQRJBHQVFQI-SOLBZPMBSA-N 2 1 321.509 2.773 20 0 DFADMP CC[NH+](CC)C[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C2CCCC2)C1 ZINC000440256783 297148858 /nfs/dbraw/zinc/14/88/58/297148858.db2.gz CXQBIKJQWSCHBY-FUHWJXTLSA-N 2 1 321.509 2.584 20 0 DFADMP CC(C)CCn1cccc1C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441347166 297180580 /nfs/dbraw/zinc/18/05/80/297180580.db2.gz LFQKZOVYKTYQPV-UHFFFAOYSA-N 2 1 320.525 2.650 20 0 DFADMP CC(C)OC(=O)CC[N@@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000441397324 297182667 /nfs/dbraw/zinc/18/26/67/297182667.db2.gz WFBUZBICZJPOTL-IRXDYDNUSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[N@H+]1CCC[C@H](C[NH+]2CCCC[C@@H]2C)C1 ZINC000441397324 297182669 /nfs/dbraw/zinc/18/26/69/297182669.db2.gz WFBUZBICZJPOTL-IRXDYDNUSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC[C@H](C[N@@H+]2CCCC[C@@H]2C)C1 ZINC000441397324 297182671 /nfs/dbraw/zinc/18/26/71/297182671.db2.gz WFBUZBICZJPOTL-IRXDYDNUSA-N 2 1 310.482 2.915 20 0 DFADMP CC(C)OC(=O)CC[NH+]1CCC[C@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000441397324 297182672 /nfs/dbraw/zinc/18/26/72/297182672.db2.gz WFBUZBICZJPOTL-IRXDYDNUSA-N 2 1 310.482 2.915 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442785340 297205788 /nfs/dbraw/zinc/20/57/88/297205788.db2.gz VNSRDPOVLIBJMH-RDBSUJKOSA-N 2 1 323.868 2.529 20 0 DFADMP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+]1C[C@H](C[NH3+])C[C@H]1C ZINC000442785340 297205790 /nfs/dbraw/zinc/20/57/90/297205790.db2.gz VNSRDPOVLIBJMH-RDBSUJKOSA-N 2 1 323.868 2.529 20 0 DFADMP COCCCOc1cccc(C[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000442917486 297211195 /nfs/dbraw/zinc/21/11/95/297211195.db2.gz APAFNVXVLRQXHQ-MRXNPFEDSA-N 2 1 306.450 2.663 20 0 DFADMP CCOc1c(C[N@H+]2CCC[C@@H](CC[NH3+])C2)c(C)nn1CC(C)C ZINC000442917063 297211221 /nfs/dbraw/zinc/21/12/21/297211221.db2.gz BVHHKRJOCIODHS-INIZCTEOSA-N 2 1 322.497 2.807 20 0 DFADMP C[C@@H](c1nc(-c2cccs2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443056088 297213507 /nfs/dbraw/zinc/21/35/07/297213507.db2.gz CABZRZQBGXDROK-RYUDHWBXSA-N 2 1 306.435 2.920 20 0 DFADMP CCc1ccc(NC(=O)[C@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1 ZINC000443056537 297213641 /nfs/dbraw/zinc/21/36/41/297213641.db2.gz CWAFHYYLUJZBLR-HOCLYGCPSA-N 2 1 303.450 2.637 20 0 DFADMP Cc1ccc(C)c(NC(=O)[C@H](C)[N@H+]2CCC[C@H](CC[NH3+])C2)c1 ZINC000443057051 297213966 /nfs/dbraw/zinc/21/39/66/297213966.db2.gz FDXRERKLRGHBGF-JKSUJKDBSA-N 2 1 303.450 2.691 20 0 DFADMP CCC[C@@H](NC(=O)C[N@H+]1CCC[C@H](CC[NH3+])C1)c1ccccc1 ZINC000443060875 297214301 /nfs/dbraw/zinc/21/43/01/297214301.db2.gz PXYMRJRIKGUTJA-SJLPKXTDSA-N 2 1 317.477 2.705 20 0 DFADMP Cc1ccc(NC(=O)[C@@H](C)[N@H+]2CCC[C@@H](CC[NH3+])C2)cc1C ZINC000443061951 297214479 /nfs/dbraw/zinc/21/44/79/297214479.db2.gz SOWLMBTWVLSRKO-CVEARBPZSA-N 2 1 303.450 2.691 20 0 DFADMP C[C@@H](c1nc(-c2ccccc2)no1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443066084 297214677 /nfs/dbraw/zinc/21/46/77/297214677.db2.gz DIXKBSLIFNHMIG-KBPBESRZSA-N 2 1 300.406 2.858 20 0 DFADMP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@H+]1CCC[C@@H](CC[NH3+])C1 ZINC000443065976 297214831 /nfs/dbraw/zinc/21/48/31/297214831.db2.gz DCBSJTXFBOGJPP-STQMWFEESA-N 2 1 309.841 2.728 20 0 DFADMP [NH3+]CC[C@@H]1CCC[N@H+]([C@@H]2CCN(c3cccc(Cl)c3)C2=O)C1 ZINC000443075154 297215228 /nfs/dbraw/zinc/21/52/28/297215228.db2.gz QYPCDGYSZJWZHV-XJKSGUPXSA-N 2 1 321.852 2.506 20 0 DFADMP CC(C)[NH+]1CCC([NH2+][C@H]2CCCN(C3CCCCC3)C2=O)CC1 ZINC000443097778 297216083 /nfs/dbraw/zinc/21/60/83/297216083.db2.gz MIVHMBPAKFIMPT-SFHVURJKSA-N 2 1 321.509 2.773 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)CCOc2cccc(OC)c2)C[C@H]1C ZINC000443623706 297223178 /nfs/dbraw/zinc/22/31/78/297223178.db2.gz QRWZFTZUGJRAPY-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)CCOc2cccc(OC)c2)C[C@H]1C ZINC000443623706 297223180 /nfs/dbraw/zinc/22/31/80/297223180.db2.gz QRWZFTZUGJRAPY-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)CCOc2cccc(OC)c2)C[C@H]1C ZINC000443623706 297223183 /nfs/dbraw/zinc/22/31/83/297223183.db2.gz QRWZFTZUGJRAPY-CVEARBPZSA-N 2 1 306.450 2.879 20 0 DFADMP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CC(C)(C)OC(C)(C)C1 ZINC000443854252 297226834 /nfs/dbraw/zinc/22/68/34/297226834.db2.gz JSKRHPQMXFLNEZ-UHFFFAOYSA-N 2 1 314.433 2.965 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000444227170 297233668 /nfs/dbraw/zinc/23/36/68/297233668.db2.gz OOIGIPGJYUOMAR-UKRRQHHQSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[NH+](C)[C@@H]1CC[N@@H+](C)[C@H](C)C1 ZINC000444227170 297233669 /nfs/dbraw/zinc/23/36/69/297233669.db2.gz OOIGIPGJYUOMAR-UKRRQHHQSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000444227170 297233670 /nfs/dbraw/zinc/23/36/70/297233670.db2.gz OOIGIPGJYUOMAR-UKRRQHHQSA-N 2 1 321.440 2.877 20 0 DFADMP Cc1c(F)cccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](C)[C@H](C)C1 ZINC000444227170 297233671 /nfs/dbraw/zinc/23/36/71/297233671.db2.gz OOIGIPGJYUOMAR-UKRRQHHQSA-N 2 1 321.440 2.877 20 0 DFADMP C[C@@H]1CC2(CCC2)C[NH+]1CC(O)C[N@@H+]1CC2(CCC2)C[C@H]1C ZINC000447323779 297301054 /nfs/dbraw/zinc/30/10/54/297301054.db2.gz LAWNSNXMTWDDLE-HZPDHXFCSA-N 2 1 306.494 2.876 20 0 DFADMP C[C@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1ccccc1)C1CC1 ZINC000447536290 297307194 /nfs/dbraw/zinc/30/71/94/297307194.db2.gz MFRZZNZQDSDZRE-HAGHYFMRSA-N 2 1 314.473 2.933 20 0 DFADMP C[N@H+](Cc1cnc(C(F)(F)F)s1)CC1CC[NH+](C)CC1 ZINC000447739647 297315249 /nfs/dbraw/zinc/31/52/49/297315249.db2.gz HXOXGTORFVWYMK-UHFFFAOYSA-N 2 1 307.385 2.936 20 0 DFADMP C[C@@H](O)C[N@H+](C)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449029093 297394152 /nfs/dbraw/zinc/39/41/52/297394152.db2.gz PRZFYEKUBJWDHO-CQSZACIVSA-N 2 1 302.418 2.710 20 0 DFADMP C[C@@H](O)C[N@@H+](C)C1CC[NH+](Cc2cccc3ccoc32)CC1 ZINC000449029093 297394153 /nfs/dbraw/zinc/39/41/53/297394153.db2.gz PRZFYEKUBJWDHO-CQSZACIVSA-N 2 1 302.418 2.710 20 0 DFADMP COc1cc(C)ccc1C[N@@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000449047383 297396892 /nfs/dbraw/zinc/39/68/92/297396892.db2.gz NIWZFKRVZWDHMY-ZIFCJYIRSA-N 2 1 318.461 2.687 20 0 DFADMP COc1cc(C)ccc1C[N@H+]1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000449047383 297396893 /nfs/dbraw/zinc/39/68/93/297396893.db2.gz NIWZFKRVZWDHMY-ZIFCJYIRSA-N 2 1 318.461 2.687 20 0 DFADMP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(C[NH+]2CCOCC2)cc1 ZINC000449063288 297399170 /nfs/dbraw/zinc/39/91/70/297399170.db2.gz ORVUIUKSMSGLLT-MRXNPFEDSA-N 2 1 314.429 2.833 20 0 DFADMP C[NH+](C)C1(C[NH2+]C2CCC(OC3CCCC3)CC2)CCOCC1 ZINC000449155720 297414929 /nfs/dbraw/zinc/41/49/29/297414929.db2.gz QFYIKFWCDVHHEP-UHFFFAOYSA-N 2 1 324.509 2.957 20 0 DFADMP CCC[C@H]([NH2+]Cc1cnc(N2CC[NH+](C)CC2)nc1)C(C)(C)C ZINC000449465353 297473122 /nfs/dbraw/zinc/47/31/22/297473122.db2.gz CKKPIEOYRWOHMZ-INIZCTEOSA-N 2 1 319.497 2.533 20 0 DFADMP COC1([C@@H](C)[NH2+]CCC[N@@H+]2C[C@H](C)C[C@H](C)C2)CCOCC1 ZINC000453055102 298057422 /nfs/dbraw/zinc/05/74/22/298057422.db2.gz DCPQYKFYNSPWCH-IXDOHACOSA-N 2 1 312.498 2.528 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453053756 298057701 /nfs/dbraw/zinc/05/77/01/298057701.db2.gz GRAQDHYUEMCKSR-AQNXPRMDSA-N 2 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453053756 298057702 /nfs/dbraw/zinc/05/77/02/298057702.db2.gz GRAQDHYUEMCKSR-AQNXPRMDSA-N 3 1 315.505 2.971 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453053756 298057703 /nfs/dbraw/zinc/05/77/03/298057703.db2.gz GRAQDHYUEMCKSR-AQNXPRMDSA-N 3 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)CC[N@@H+]1C ZINC000453262553 298078027 /nfs/dbraw/zinc/07/80/27/298078027.db2.gz FYEZRDGBWIXGGJ-NEPJUHHUSA-N 2 1 300.805 2.930 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]CCOc2ccc(F)c(Cl)c2)CC[N@H+]1C ZINC000453262553 298078028 /nfs/dbraw/zinc/07/80/28/298078028.db2.gz FYEZRDGBWIXGGJ-NEPJUHHUSA-N 2 1 300.805 2.930 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](CO)Cc2ccc(C)c(C)c2)[C@H](C)C1 ZINC000453411334 298091498 /nfs/dbraw/zinc/09/14/98/298091498.db2.gz AKEGPDLRVWXVPZ-NEWSRXKRSA-N 2 1 304.478 2.527 20 0 DFADMP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CCCC[N@@H+](C)C2CC2)C1 ZINC000453413964 298091900 /nfs/dbraw/zinc/09/19/00/298091900.db2.gz WVUAFFITQBXPCE-HOTGVXAUSA-N 2 1 304.482 2.910 20 0 DFADMP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2C[C@H](C)[N@H+](C)C[C@@H]2C)cc1C ZINC000453469199 298097957 /nfs/dbraw/zinc/09/79/57/298097957.db2.gz ZXSZLKQVMMIHAN-RNIPGJKVSA-N 2 1 304.478 2.525 20 0 DFADMP C[NH+](C)[C@H]1CCc2cc(NC(=O)[C@H]3CCCc4[nH+]ccn43)ccc21 ZINC000456328888 298496675 /nfs/dbraw/zinc/49/66/75/298496675.db2.gz RRDAJGPFMSQWEJ-DLBZAZTESA-N 2 1 324.428 2.948 20 0 DFADMP CC[NH+](CC)[C@H](C)C[NH2+][C@@H](C)C1CN(C(=O)OC(C)(C)C)C1 ZINC000495669642 299954683 /nfs/dbraw/zinc/95/46/83/299954683.db2.gz MHCGORQYGQDZEI-KGLIPLIRSA-N 2 1 313.486 2.562 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000495997986 300004995 /nfs/dbraw/zinc/00/49/95/300004995.db2.gz KXBKNXHKIUXUJJ-KKUMJFAQSA-N 2 1 315.502 2.997 20 0 DFADMP CC(C)[N@H+](C)C[C@H](C)[NH2+][C@@H](C)C[C@H](C)NC(=O)OC(C)(C)C ZINC000495997986 300004996 /nfs/dbraw/zinc/00/49/96/300004996.db2.gz KXBKNXHKIUXUJJ-KKUMJFAQSA-N 2 1 315.502 2.997 20 0 DFADMP CC[N@H+]1CC[C@H]([NH2+][C@H](C)[C@H](C)NC(=O)OC(C)(C)C)[C@H](C)C1 ZINC000496196217 300028744 /nfs/dbraw/zinc/02/87/44/300028744.db2.gz AJNVNSWCTGFVLB-KBXIAJHMSA-N 2 1 313.486 2.608 20 0 DFADMP CCC[N@H+](C)C[C@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496350501 300050593 /nfs/dbraw/zinc/05/05/93/300050593.db2.gz NRSPPBQBKSYNHN-OAHLLOKOSA-N 2 1 313.486 2.565 20 0 DFADMP CCC[N@@H+](C)C[C@H]1CC[NH+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496350501 300050596 /nfs/dbraw/zinc/05/05/96/300050596.db2.gz NRSPPBQBKSYNHN-OAHLLOKOSA-N 2 1 313.486 2.565 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496350501 300050598 /nfs/dbraw/zinc/05/05/98/300050598.db2.gz NRSPPBQBKSYNHN-OAHLLOKOSA-N 2 1 313.486 2.565 20 0 DFADMP CCC[NH+](C)C[C@H]1CC[N@@H+](CCCNC(=O)OC(C)(C)C)C1 ZINC000496350501 300050601 /nfs/dbraw/zinc/05/06/01/300050601.db2.gz NRSPPBQBKSYNHN-OAHLLOKOSA-N 2 1 313.486 2.565 20 0 DFADMP CC(C)[NH2+]C1CC[NH+](CCCN(C)C(=O)OC(C)(C)C)CC1 ZINC000496363809 300052178 /nfs/dbraw/zinc/05/21/78/300052178.db2.gz GSFHQHBLTKUXDS-UHFFFAOYSA-N 2 1 313.486 2.706 20 0 DFADMP CCCC[C@@H](C[NH3+])[NH2+][C@@H](C)c1cccc(N2CCOC2=O)c1 ZINC000496492719 300070550 /nfs/dbraw/zinc/07/05/50/300070550.db2.gz BXTQHIQASCPXRR-ZFWWWQNUSA-N 2 1 305.422 2.811 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000497246894 300182201 /nfs/dbraw/zinc/18/22/01/300182201.db2.gz YTVVQLPSTOKQET-UHFFFAOYSA-N 2 1 322.453 2.617 20 0 DFADMP CC(C)[NH+]1CCN(c2cccc(N[C@H]3C[N@@H+](C)C[C@@H]3C)c2)CC1 ZINC000503269226 300219791 /nfs/dbraw/zinc/21/97/91/300219791.db2.gz YJPXWFOTYNNHKC-LPHOPBHVSA-N 2 1 316.493 2.579 20 0 DFADMP CCC(C)(C)NC(=O)CN1CCC[C@H](C[N@H+]2CCCC[C@H]2C)C1 ZINC000506486232 300230738 /nfs/dbraw/zinc/23/07/38/300230738.db2.gz KSNMVGXXZJEFMP-SJORKVTESA-N 2 1 323.525 2.878 20 0 DFADMP CCC(C)(C)NC(=O)CN1CCC[C@@H](C[N@H+]2CCCC[C@@H]2C)C1 ZINC000506486227 300230777 /nfs/dbraw/zinc/23/07/77/300230777.db2.gz KSNMVGXXZJEFMP-DLBZAZTESA-N 2 1 323.525 2.878 20 0 DFADMP CC[C@@H](C[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1)c1ccccc1 ZINC000513479638 300258122 /nfs/dbraw/zinc/25/81/22/300258122.db2.gz PBWMXQVBKHZLSC-ICSRJNTNSA-N 2 1 315.505 2.892 20 0 DFADMP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CC(=O)N(c2ccccc2Cl)C1 ZINC000514596437 300261253 /nfs/dbraw/zinc/26/12/53/300261253.db2.gz OBFULUMFPHMTTB-NWANDNLSSA-N 2 1 321.852 2.695 20 0 DFADMP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)C[C@H]3CCOC3)C2)s1 ZINC000515018989 300284930 /nfs/dbraw/zinc/28/49/30/300284930.db2.gz NJFXXFOTQOEVGT-HZPDHXFCSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@H+]2CC[C@H](C[NH+](C)C[C@H]3CCOC3)C2)s1 ZINC000515018989 300284932 /nfs/dbraw/zinc/28/49/32/300284932.db2.gz NJFXXFOTQOEVGT-HZPDHXFCSA-N 2 1 308.491 2.847 20 0 DFADMP Cc1ccc(C[N@@H+]2CC[C@H](C[NH+](C)C[C@H]3CCOC3)C2)s1 ZINC000515018989 300284934 /nfs/dbraw/zinc/28/49/34/300284934.db2.gz NJFXXFOTQOEVGT-HZPDHXFCSA-N 2 1 308.491 2.847 20 0 DFADMP C[C@@H](NCC(C)(C)[N@@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000515634249 300315948 /nfs/dbraw/zinc/31/59/48/300315948.db2.gz UFBXIRNAXHIFPW-AEFFLSMTSA-N 2 1 315.505 2.801 20 0 DFADMP C[C@@H](NCC(C)(C)[N@H+]1CCc2ccccc2C1)[C@H]1CCC[NH2+]C1 ZINC000515634249 300315951 /nfs/dbraw/zinc/31/59/51/300315951.db2.gz UFBXIRNAXHIFPW-AEFFLSMTSA-N 2 1 315.505 2.801 20 0 DFADMP CCc1[nH+]c2ccccc2c(NCC[N@H+]2CCCOCC2)c1C ZINC000516204594 300335189 /nfs/dbraw/zinc/33/51/89/300335189.db2.gz SPOKFQXUSXKHTJ-UHFFFAOYSA-N 2 1 313.445 2.662 20 0 DFADMP COc1cc(C[N@@H+](C)CC[C@H]2CC[NH2+]C2)ccc1OC(F)F ZINC000516751735 300358427 /nfs/dbraw/zinc/35/84/27/300358427.db2.gz XSPUOXZWIUCODG-GFCCVEGCSA-N 2 1 314.376 2.728 20 0 DFADMP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCOCC1)[C@H]1CC12CC2 ZINC000527843132 300700054 /nfs/dbraw/zinc/70/00/54/300700054.db2.gz AUEBVOIKWLMLIN-CRAIPNDOSA-N 2 1 300.446 2.797 20 0 DFADMP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+]1C1CCCC1)[NH+]1CCCCC1 ZINC000530023205 301005275 /nfs/dbraw/zinc/00/52/75/301005275.db2.gz CSZZAZBQRKNRPZ-ZWKOTPCHSA-N 2 1 321.509 2.630 20 0 DFADMP c1cc2[nH+]ccc(N3CCC(CO[C@@H]4CC[NH2+]C4)CC3)c2s1 ZINC000530178418 301026433 /nfs/dbraw/zinc/02/64/33/301026433.db2.gz IRUBBJZHTHNZQR-CQSZACIVSA-N 2 1 317.458 2.891 20 0 DFADMP C[C@@H]1[C@H](N[C@@H]2CC[NH2+]C23CCC3)CCC[N@H+]1Cc1ccccc1 ZINC000530216014 301029803 /nfs/dbraw/zinc/02/98/03/301029803.db2.gz LSFJFBSFSYNOBF-BHIYHBOVSA-N 2 1 313.489 2.914 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530217804 301030632 /nfs/dbraw/zinc/03/06/32/301030632.db2.gz BAPPRASBRMFQKQ-GUDVDZBRSA-N 2 1 320.452 2.990 20 0 DFADMP CO[C@H](Cc1ccc(F)cc1)C[N@H+]1CCCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000530217804 301030634 /nfs/dbraw/zinc/03/06/34/301030634.db2.gz BAPPRASBRMFQKQ-GUDVDZBRSA-N 2 1 320.452 2.990 20 0 DFADMP FC(F)(F)c1ncccc1C[N@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000530219690 301031096 /nfs/dbraw/zinc/03/10/96/301031096.db2.gz HXFIKFUHGUZQFZ-OLZOCXBDSA-N 2 1 313.367 2.922 20 0 DFADMP CO[C@H](C[N@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2)c1ccc(F)cc1 ZINC000530227393 301032397 /nfs/dbraw/zinc/03/23/97/301032397.db2.gz WZMVJIVAGLMKGF-WMLDXEAASA-N 2 1 306.425 2.977 20 0 DFADMP CC(C)[C@H](COCc1ccccc1)[NH2+]CCc1c[nH+]cn1C ZINC000530407348 301046433 /nfs/dbraw/zinc/04/64/33/301046433.db2.gz QNWGSHCZQQEWNH-SFHVURJKSA-N 2 1 301.434 2.794 20 0 DFADMP C[C@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@H]2CCC3(CCCC3)O2)CC1 ZINC000530463631 301049720 /nfs/dbraw/zinc/04/97/20/301049720.db2.gz PFSYZKKSFSYGET-FUHWJXTLSA-N 2 1 324.509 2.503 20 0 DFADMP C[C@@H](O)C[NH+]1CCC(C[N@@H+](C)C[C@@H]2CCC3(CCCC3)O2)CC1 ZINC000530463629 301049796 /nfs/dbraw/zinc/04/97/96/301049796.db2.gz PFSYZKKSFSYGET-AEFFLSMTSA-N 2 1 324.509 2.503 20 0 DFADMP CCc1cccc(NC(=O)CN(C)[C@H]2CC[N@H+](CC)[C@H](C)C2)c1 ZINC000530662797 301061769 /nfs/dbraw/zinc/06/17/69/301061769.db2.gz CBHZMYBCXMNCOU-QAPCUYQASA-N 2 1 317.477 2.992 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000531051951 301077130 /nfs/dbraw/zinc/07/71/30/301077130.db2.gz PTYPDYJIJKEWDF-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP CC(C)c1[nH+]ccn1CCC(=O)N1CCC[N@H+](C(C)(C)C)CC1 ZINC000531051951 301077133 /nfs/dbraw/zinc/07/71/33/301077133.db2.gz PTYPDYJIJKEWDF-UHFFFAOYSA-N 2 1 320.481 2.729 20 0 DFADMP COc1cc(C)ccc1[C@@H](C)[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000531704268 301104480 /nfs/dbraw/zinc/10/44/80/301104480.db2.gz OEDGKSDCIFOWTG-QGZVFWFLSA-N 2 1 319.493 2.682 20 0 DFADMP CC[N@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)C1 ZINC000531954933 301121069 /nfs/dbraw/zinc/12/10/69/301121069.db2.gz IKVLAAYNQNNNFF-KGLIPLIRSA-N 2 1 301.434 2.564 20 0 DFADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)C[C@H]2C)c1 ZINC000532192566 301135970 /nfs/dbraw/zinc/13/59/70/301135970.db2.gz ZNWRSYHMFOPNAE-RHSMWYFYSA-N 2 1 303.450 2.855 20 0 DFADMP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@@H+](C)C[C@H]2C)c1 ZINC000532192566 301135972 /nfs/dbraw/zinc/13/59/72/301135972.db2.gz ZNWRSYHMFOPNAE-RHSMWYFYSA-N 2 1 303.450 2.855 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+][C@H]2CCc3c2cccc3Cl)CC1 ZINC000532215498 301137223 /nfs/dbraw/zinc/13/72/23/301137223.db2.gz ZYTGSSCHXQGTIT-SFHVURJKSA-N 2 1 321.896 2.945 20 0 DFADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000532230467 301138423 /nfs/dbraw/zinc/13/84/23/301138423.db2.gz XKQHZLWQTCSXFM-GUDVDZBRSA-N 2 1 302.462 2.792 20 0 DFADMP CC[C@@H]1CCC[C@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000532230467 301138426 /nfs/dbraw/zinc/13/84/26/301138426.db2.gz XKQHZLWQTCSXFM-GUDVDZBRSA-N 2 1 302.462 2.792 20 0 DFADMP CCN(CC)C(=O)C[C@H](C)[NH2+]CCCC[N@H+]1CCCC[C@H]1C ZINC000532459766 301154144 /nfs/dbraw/zinc/15/41/44/301154144.db2.gz HCKGRXBJQOIMKF-DLBZAZTESA-N 2 1 311.514 2.878 20 0 DFADMP CC(C)[N@@H+](C)CC1CC[NH+]([C@@H](C)C(=O)NC2CCCCC2)CC1 ZINC000533271094 301193716 /nfs/dbraw/zinc/19/37/16/301193716.db2.gz YYSCPCGZWJBRIE-INIZCTEOSA-N 2 1 323.525 2.876 20 0 DFADMP Cn1ccnc1[C@H]1CC[N@@H+](CCc2nc(-c3ccccc3)no2)C1 ZINC000534580469 301234720 /nfs/dbraw/zinc/23/47/20/301234720.db2.gz ASQKXWQBTQTVMS-HNNXBMFYSA-N 2 1 323.400 2.502 20 0 DFADMP CCc1ccc(C[N@H+]2CC[C@H](N3CC[NH+](C)CC3)[C@H](C)C2)s1 ZINC000536664473 301286750 /nfs/dbraw/zinc/28/67/50/301286750.db2.gz DLTACTDNTQXYPX-QAPCUYQASA-N 2 1 321.534 2.768 20 0 DFADMP CCCNC(=O)C[NH+]1CCC(CC[N@@H+](CC)CC(C)C)CC1 ZINC000536885077 301292461 /nfs/dbraw/zinc/29/24/61/301292461.db2.gz IZNWJMTYTOWLRY-UHFFFAOYSA-N 2 1 311.514 2.593 20 0 DFADMP CCc1noc(C)c1C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000549841895 301642307 /nfs/dbraw/zinc/64/23/07/301642307.db2.gz MWYQFKRQJPOLRO-UHFFFAOYSA-N 2 1 311.389 2.724 20 0 DFADMP CC[NH+](CC)[C@@H](CNC(=O)[C@H](C)[NH+]1CC(C)C1)c1ccccc1 ZINC000553176754 301705788 /nfs/dbraw/zinc/70/57/88/301705788.db2.gz QMDMUHZDKNOTEO-WMZOPIPTSA-N 2 1 317.477 2.526 20 0 DFADMP COCC1([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000562771328 302000515 /nfs/dbraw/zinc/00/05/15/302000515.db2.gz VRNNLTDTZJRHHF-MRXNPFEDSA-N 2 1 302.462 2.851 20 0 DFADMP C[C@@H]1C[C@H](C)[N@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1C[NH3+] ZINC000562955487 302017516 /nfs/dbraw/zinc/01/75/16/302017516.db2.gz YWEIYDIEUJCHKP-OSFYFWSMSA-N 2 1 309.479 2.800 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc([C@@H]3CCCO3)s2)C[C@@H]1C[NH3+] ZINC000562955487 302017518 /nfs/dbraw/zinc/01/75/18/302017518.db2.gz YWEIYDIEUJCHKP-OSFYFWSMSA-N 2 1 309.479 2.800 20 0 DFADMP C[N@@H+](C[C@H](O)CN[C@H]1CCCOc2c(Cl)cccc21)C1CC1 ZINC000562992324 302022167 /nfs/dbraw/zinc/02/21/67/302022167.db2.gz ONYSWRSCHAQPNG-CJNGLKHVSA-N 2 1 324.852 2.598 20 0 DFADMP COC(=O)CC[C@H](CC1CCCCC1)[NH2+]C1CC[NH+](C)CC1 ZINC000563149119 302041797 /nfs/dbraw/zinc/04/17/97/302041797.db2.gz FTWUNVNDCUEPCT-QGZVFWFLSA-N 2 1 310.482 2.962 20 0 DFADMP CC(C)(C[NH+]1CCCC1)[NH2+]CCCn1c2ccccc2[nH]c1=O ZINC000563597052 302085471 /nfs/dbraw/zinc/08/54/71/302085471.db2.gz KXCKXYRFNPAOBO-UHFFFAOYSA-N 2 1 316.449 2.596 20 0 DFADMP CC(C)[N@@H+](C)Cc1ccccc1C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000564076639 302117201 /nfs/dbraw/zinc/11/72/01/302117201.db2.gz FFOOLYVYPDHGCK-OAHLLOKOSA-N 2 1 318.383 2.930 20 0 DFADMP CC[N@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000564941145 302175878 /nfs/dbraw/zinc/17/58/78/302175878.db2.gz ALTGAYDKZANBQW-MSOLQXFVSA-N 2 1 317.477 2.800 20 0 DFADMP CC[NH+]1CCC([NH+]2CCC(C(=O)Nc3ccsc3)CC2)CC1 ZINC000565186635 302204241 /nfs/dbraw/zinc/20/42/41/302204241.db2.gz YWKFZRADOCRWKJ-UHFFFAOYSA-N 2 1 321.490 2.883 20 0 DFADMP CCOc1cc2c(cc1C[NH2+][C@H](C)[C@H]1CCC[NH2+]C1)O[C@H](C)C2 ZINC000565475054 302226803 /nfs/dbraw/zinc/22/68/03/302226803.db2.gz KWDRPQKVOGWPFA-KFWWJZLASA-N 2 1 318.461 2.886 20 0 DFADMP C[N@H+]1CCCC[C@H]1CCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000565949556 302250357 /nfs/dbraw/zinc/25/03/57/302250357.db2.gz ZBWJKQGKSIZONY-HNNXBMFYSA-N 2 1 301.434 2.535 20 0 DFADMP COCCOc1ccc(C[NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)cn1 ZINC000566091068 302258704 /nfs/dbraw/zinc/25/87/04/302258704.db2.gz ZRYXJCWDEUBZDP-DOTOQJQBSA-N 2 1 321.465 2.507 20 0 DFADMP COc1cncc(/C=C\CC[N@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000566156650 302264226 /nfs/dbraw/zinc/26/42/26/302264226.db2.gz ZXFOXGIXYORCJM-OZLAXVTRSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C\CC[N@@H+](C)[C@@H]2CC[NH+](C)[C@H](C)C2)c1 ZINC000566156650 302264228 /nfs/dbraw/zinc/26/42/28/302264228.db2.gz ZXFOXGIXYORCJM-OZLAXVTRSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C\CC[NH+](C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c1 ZINC000566156650 302264230 /nfs/dbraw/zinc/26/42/30/302264230.db2.gz ZXFOXGIXYORCJM-OZLAXVTRSA-N 2 1 303.450 2.908 20 0 DFADMP COc1cncc(/C=C\CC[NH+](C)[C@@H]2CC[N@@H+](C)[C@H](C)C2)c1 ZINC000566156650 302264231 /nfs/dbraw/zinc/26/42/31/302264231.db2.gz ZXFOXGIXYORCJM-OZLAXVTRSA-N 2 1 303.450 2.908 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+][C@@H]2CCC[C@H](F)C2)[C@H](C)C1 ZINC000566220327 302268617 /nfs/dbraw/zinc/26/86/17/302268617.db2.gz JPVOBCVKJFCOME-TWMKSMIVSA-N 2 1 300.462 2.994 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000566619481 302299910 /nfs/dbraw/zinc/29/99/10/302299910.db2.gz KKDITMSGZVZDSJ-ROUUACIJSA-N 2 1 300.446 2.544 20 0 DFADMP O[C@@H](C[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000566619481 302299913 /nfs/dbraw/zinc/29/99/13/302299913.db2.gz KKDITMSGZVZDSJ-ROUUACIJSA-N 2 1 300.446 2.544 20 0 DFADMP C[C@@H]1C[C@@H]1c1ccc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)o1 ZINC000566732217 302307965 /nfs/dbraw/zinc/30/79/65/302307965.db2.gz GKVYIOKJVHCNQL-UVLCOCDESA-N 2 1 304.434 2.650 20 0 DFADMP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(C(F)(F)F)cc1 ZINC000567375370 302354787 /nfs/dbraw/zinc/35/47/87/302354787.db2.gz XPNLWRIQXIJGNG-IXXDHKBRSA-N 2 1 314.351 2.611 20 0 DFADMP CCN(CC)[C@H](C[NH2+][C@H]1CCC[C@H]([NH3+])C1)c1cccc(OC)c1 ZINC000567406960 302356920 /nfs/dbraw/zinc/35/69/20/302356920.db2.gz XUHPFOZTIJGWQM-JENIJYKNSA-N 2 1 319.493 2.938 20 0 DFADMP CC[C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C2CC[NH+](CC)CC2)CC1 ZINC000567484161 302362957 /nfs/dbraw/zinc/36/29/57/302362957.db2.gz IMQBUAVADQYUSW-CVEARBPZSA-N 2 1 323.525 2.734 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000567587424 302370895 /nfs/dbraw/zinc/37/08/95/302370895.db2.gz IFDWXWQCVFXSPZ-LJQANCHMSA-N 2 1 324.472 2.978 20 0 DFADMP Cc1cnn(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000567587424 302370898 /nfs/dbraw/zinc/37/08/98/302370898.db2.gz IFDWXWQCVFXSPZ-LJQANCHMSA-N 2 1 324.472 2.978 20 0 DFADMP CCc1ccc(C[N@H+]2CCC[C@H](N3CCOCC3)CC2)cc1 ZINC000567627189 302374913 /nfs/dbraw/zinc/37/49/13/302374913.db2.gz GTQKNPRFMKJYGB-IBGZPJMESA-N 2 1 302.462 2.936 20 0 DFADMP C[C@@H]1CC[NH2+]CC[C@H]1NC[C@H](c1ccc(Cl)cc1)[NH+](C)C ZINC000567642518 302376030 /nfs/dbraw/zinc/37/60/30/302376030.db2.gz OHGBHOHOUDIXHW-KBRIMQKVSA-N 2 1 309.885 2.920 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853432 302392872 /nfs/dbraw/zinc/39/28/72/302392872.db2.gz AWJBXGMAPXCCCB-KBAYOESNSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C3(CC3)C2)CO1 ZINC000567853432 302392874 /nfs/dbraw/zinc/39/28/74/302392874.db2.gz AWJBXGMAPXCCCB-KBAYOESNSA-N 2 1 300.446 2.951 20 0 DFADMP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1(CCO)CC[NH+](C)CC1 ZINC000569000859 302490822 /nfs/dbraw/zinc/49/08/22/302490822.db2.gz OQZWBDVUZNPNJL-AWEZNQCLSA-N 2 1 310.869 2.707 20 0 DFADMP [NH3+][C@H]1CCCCC[C@H]1[NH2+]Cc1ccc(OCC(F)(F)F)nc1 ZINC000569684632 302532444 /nfs/dbraw/zinc/53/24/44/302532444.db2.gz QPEXWIPGUJZWTN-QWHCGFSZSA-N 2 1 317.355 2.772 20 0 DFADMP C[C@H]([NH2+]Cc1nc2cccc(Cl)c2n1C)[C@@H]1CCC[NH2+]C1 ZINC000569684294 302532595 /nfs/dbraw/zinc/53/25/95/302532595.db2.gz QAPIRPOVZOYFFH-NWDGAFQWSA-N 2 1 306.841 2.704 20 0 DFADMP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnccn3)cc2)CC1 ZINC000573661066 302715601 /nfs/dbraw/zinc/71/56/01/302715601.db2.gz MGRAUUCVMQVICV-UHFFFAOYSA-N 2 1 310.445 2.998 20 0 DFADMP CCCCO[C@H]1C[C@H]([NH2+]CC2([NH+](C)C)CCOCC2)C1(C)C ZINC000181751893 316070742 /nfs/dbraw/zinc/07/07/42/316070742.db2.gz YWAQUGKTHICSKR-HOTGVXAUSA-N 2 1 312.498 2.671 20 0 DFADMP COC[C@H](C)C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000187644734 316212948 /nfs/dbraw/zinc/21/29/48/316212948.db2.gz OKMJRCOERNSHIJ-ZACQAIPSSA-N 2 1 320.477 2.668 20 0 DFADMP CC(C)[N@@H+](C)CC1CCN(C(=O)C[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000321410374 316256805 /nfs/dbraw/zinc/25/68/05/316256805.db2.gz UDPOUMQYBAWEAW-SJLPKXTDSA-N 2 1 323.525 2.591 20 0 DFADMP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2CCc3[nH+]ccn3C2)c1 ZINC000360019708 316573628 /nfs/dbraw/zinc/57/36/28/316573628.db2.gz SHRQXBQAJZIIQF-STQMWFEESA-N 2 1 301.390 2.566 20 0 DFADMP CC(C)[N@H+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC000450097936 317059441 /nfs/dbraw/zinc/05/94/41/317059441.db2.gz RQZDFGOLPGDWOI-BPQIPLTHSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC000450097936 317059445 /nfs/dbraw/zinc/05/94/45/317059445.db2.gz RQZDFGOLPGDWOI-BPQIPLTHSA-N 2 1 321.509 2.628 20 0 DFADMP CC(C)[NH+]1C[C@@H](C)[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C2CCCC2)C1 ZINC000450097936 317059449 /nfs/dbraw/zinc/05/94/49/317059449.db2.gz RQZDFGOLPGDWOI-BPQIPLTHSA-N 2 1 321.509 2.628 20 0 DFADMP CCc1cc(NC[C@@H](c2ccccc2)[NH+]2CCOCC2)cc[nH+]1 ZINC000450249097 317076003 /nfs/dbraw/zinc/07/60/03/317076003.db2.gz ZYACKHITDIMNIE-IBGZPJMESA-N 2 1 311.429 2.551 20 0 DFADMP C[C@H](c1ccccc1)[C@H](O)C[N@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000450432378 317092547 /nfs/dbraw/zinc/09/25/47/317092547.db2.gz ABXLSCUWAZCRCW-QWFCFKBJSA-N 2 1 316.489 2.959 20 0 DFADMP CCOc1cccc(C[N@H+](CCO)CCC[NH+]2CCCCC2)c1 ZINC000452046954 317122085 /nfs/dbraw/zinc/12/20/85/317122085.db2.gz LXEBSNUCYQTNJA-UHFFFAOYSA-N 2 1 320.477 2.756 20 0 DFADMP CCOc1cccc(C[N@@H+](CCO)CCC[NH+]2CCCCC2)c1 ZINC000452046954 317122087 /nfs/dbraw/zinc/12/20/87/317122087.db2.gz LXEBSNUCYQTNJA-UHFFFAOYSA-N 2 1 320.477 2.756 20 0 DFADMP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000453276952 317174656 /nfs/dbraw/zinc/17/46/56/317174656.db2.gz BGQSSUQRNJRHFZ-YJBOKZPZSA-N 2 1 305.466 2.617 20 0 DFADMP CCOCCC[N@H+]1CC[C@H]([NH2+]Cc2ccnc(C)c2)[C@@H](C)C1 ZINC000453276952 317174659 /nfs/dbraw/zinc/17/46/59/317174659.db2.gz BGQSSUQRNJRHFZ-YJBOKZPZSA-N 2 1 305.466 2.617 20 0 DFADMP C[C@@H]([NH2+]CCCC[N@@H+](C)C1CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000453387198 317182144 /nfs/dbraw/zinc/18/21/44/317182144.db2.gz AZEHUKUUCLDXCU-CQSZACIVSA-N 2 1 324.490 2.615 20 0 DFADMP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CCCC[N@@H+](C)C1CC1 ZINC000453404448 317183946 /nfs/dbraw/zinc/18/39/46/317183946.db2.gz BGQBXAIZVVDCTG-OAHLLOKOSA-N 2 1 303.450 2.868 20 0 DFADMP C[N@@H+](CCCC[NH2+]Cc1cnc([C@H]2CCCO2)s1)C1CC1 ZINC000453596409 317192962 /nfs/dbraw/zinc/19/29/62/317192962.db2.gz LBWFJJIYKXHISF-OAHLLOKOSA-N 2 1 309.479 2.959 20 0 DFADMP Cn1cc[nH+]c1CC1CC[NH+](CCOCC2CCCC2)CC1 ZINC000459334003 317320216 /nfs/dbraw/zinc/32/02/16/317320216.db2.gz KKUDXDMOBMBHSL-UHFFFAOYSA-N 2 1 305.466 2.881 20 0 DFADMP c1cn(Cc2ccccc2)c(CC[NH2+]C2CC[NH+](C3CC3)CC2)n1 ZINC000459367212 317322839 /nfs/dbraw/zinc/32/28/39/317322839.db2.gz OBXMSKOKSGCEFG-UHFFFAOYSA-N 3 1 324.472 2.690 20 0 DFADMP CC(C)[C@H]1CN(CC[N@@H+](C)Cc2ccc(F)cc2)CC[NH+]1C ZINC000488038834 317362230 /nfs/dbraw/zinc/36/22/30/317362230.db2.gz BEASAGWALMTWEO-GOSISDBHSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)[C@H]1CN(CC[NH+](C)Cc2ccc(F)cc2)CC[N@@H+]1C ZINC000488038834 317362233 /nfs/dbraw/zinc/36/22/33/317362233.db2.gz BEASAGWALMTWEO-GOSISDBHSA-N 2 1 307.457 2.530 20 0 DFADMP CC(C)[C@H]1CN(CC[NH+](C)Cc2ccc(F)cc2)CC[N@H+]1C ZINC000488038834 317362236 /nfs/dbraw/zinc/36/22/36/317362236.db2.gz BEASAGWALMTWEO-GOSISDBHSA-N 2 1 307.457 2.530 20 0 DFADMP C[C@H]1CSCC[N@@H+](C/C=C\C[NH+]2CCSC[C@@H](C)C2)C1 ZINC000488183686 317373329 /nfs/dbraw/zinc/37/33/29/317373329.db2.gz YFNVXGVTBIKNBF-SSGMOAHOSA-N 2 1 314.564 2.912 20 0 DFADMP C[C@H]1CSCC[NH+](C/C=C\C[N@@H+]2CCSC[C@@H](C)C2)C1 ZINC000488183686 317373333 /nfs/dbraw/zinc/37/33/33/317373333.db2.gz YFNVXGVTBIKNBF-SSGMOAHOSA-N 2 1 314.564 2.912 20 0 DFADMP C[C@H]1CSCC[NH+](C/C=C\C[N@H+]2CCSC[C@@H](C)C2)C1 ZINC000488183686 317373337 /nfs/dbraw/zinc/37/33/37/317373337.db2.gz YFNVXGVTBIKNBF-SSGMOAHOSA-N 2 1 314.564 2.912 20 0 DFADMP COCC[NH+]1CCC([NH2+][C@@H]2CS[C@H](C(C)(C)C)C2)CC1 ZINC000488414440 317391237 /nfs/dbraw/zinc/39/12/37/317391237.db2.gz QZVWFGTZOVVUQV-GJZGRUSLSA-N 2 1 300.512 2.607 20 0 DFADMP CCN1CC[NH+](Cc2ccccc2C[NH2+]C[C@@H]2C[C@@H]2C)CC1 ZINC000488420571 317391835 /nfs/dbraw/zinc/39/18/35/317391835.db2.gz WQMITKBMFNWGPN-LPHOPBHVSA-N 2 1 301.478 2.570 20 0 DFADMP c1ccc(C[N@@H+]2CCC[C@]3(CCN(Cc4cnccn4)C3)C2)cc1 ZINC000572097853 318000907 /nfs/dbraw/zinc/00/09/07/318000907.db2.gz NWXHPLLHFRZIMI-FQEVSTJZSA-N 2 1 322.456 2.965 20 0 DFADMP CC[C@@H]1C[N@H+]2CCC[C@@H]2CN1C(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000574630791 318029126 /nfs/dbraw/zinc/02/91/26/318029126.db2.gz WXTPNFRQUBLXMN-KZNAEPCWSA-N 2 1 315.461 2.552 20 0 DFADMP O=C(CC[N@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1ccc(Cl)cc1 ZINC000574637892 318029745 /nfs/dbraw/zinc/02/97/45/318029745.db2.gz KNTBYANYWGSBOT-QGZVFWFLSA-N 2 1 321.852 2.744 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@H+](Cc2ccccc2)C1 ZINC000574778117 318040387 /nfs/dbraw/zinc/04/03/87/318040387.db2.gz NGTKEAPZFKASNN-GBESFXJTSA-N 2 1 302.462 2.648 20 0 DFADMP CC(C)[C@@H]1CC[C@@H]1[NH2+]C[C@]1(O)CC[N@@H+](Cc2ccccc2)C1 ZINC000574778117 318040389 /nfs/dbraw/zinc/04/03/89/318040389.db2.gz NGTKEAPZFKASNN-GBESFXJTSA-N 2 1 302.462 2.648 20 0 DFADMP CCC(CC)(C[NH2+]C[C@@H](O)C[N@H+](C)C1CC1)c1ccccc1 ZINC000574869147 318045739 /nfs/dbraw/zinc/04/57/39/318045739.db2.gz PFKOCTBRWPBNQD-GOSISDBHSA-N 2 1 304.478 2.789 20 0 DFADMP CCC(CC)(C[NH2+]C[C@@H](O)C[N@@H+](C)C1CC1)c1ccccc1 ZINC000574869147 318045740 /nfs/dbraw/zinc/04/57/40/318045740.db2.gz PFKOCTBRWPBNQD-GOSISDBHSA-N 2 1 304.478 2.789 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)c1 ZINC000575744559 318080327 /nfs/dbraw/zinc/08/03/27/318080327.db2.gz CPEFKQWFXREJOG-YZTRRJNXSA-N 2 1 301.434 2.521 20 0 DFADMP COc1cncc(/C=C/CC[N@H+]2CC[C@@]3(CC[NH+](C)C3)C2)c1 ZINC000575744558 318080365 /nfs/dbraw/zinc/08/03/65/318080365.db2.gz CPEFKQWFXREJOG-YWPBOTNQSA-N 2 1 301.434 2.521 20 0 DFADMP CSC[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000575862149 318087864 /nfs/dbraw/zinc/08/78/64/318087864.db2.gz UYZKUMWFYJQOPQ-YOEHRIQHSA-N 2 1 308.491 2.526 20 0 DFADMP CSC[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC000575862148 318087994 /nfs/dbraw/zinc/08/79/94/318087994.db2.gz UYZKUMWFYJQOPQ-WMLDXEAASA-N 2 1 308.491 2.526 20 0 DFADMP CC(C)[N@H+]1CC[C@H](CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)C1 ZINC000575984659 318096148 /nfs/dbraw/zinc/09/61/48/318096148.db2.gz BRLASLJXOJMYOF-NVXWUHKLSA-N 2 1 317.477 2.559 20 0 DFADMP Cc1nn(C)cc1[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000576099515 318103616 /nfs/dbraw/zinc/10/36/16/318103616.db2.gz XYJMVFUVYNNCJU-RDULTJRFSA-N 2 1 302.466 2.533 20 0 DFADMP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCOCC2)C[C@H](C)O1 ZINC000576192301 318109503 /nfs/dbraw/zinc/10/95/03/318109503.db2.gz DQBUQHLECPSMGZ-HGKCTWBKSA-N 2 1 318.461 2.564 20 0 DFADMP c1ccc(C[N@@H+]2CC[C@@H]([NH2+][C@@H]3CCCOC3)CC23CC3)cc1 ZINC000576516524 318131448 /nfs/dbraw/zinc/13/14/48/318131448.db2.gz FBVRVPDKQDJTCB-QZTJIDSGSA-N 2 1 300.446 2.952 20 0 DFADMP c1ccc(C[N@H+]2CC[C@@H]([NH2+][C@@H]3CCCOC3)CC23CC3)cc1 ZINC000576516524 318131450 /nfs/dbraw/zinc/13/14/50/318131450.db2.gz FBVRVPDKQDJTCB-QZTJIDSGSA-N 2 1 300.446 2.952 20 0 DFADMP O[C@@H](C[NH2+]C[C@@H]1CC[N@@H+](Cc2ccccc2)C1)Cc1ccccc1 ZINC000576746432 318147044 /nfs/dbraw/zinc/14/70/44/318147044.db2.gz HZWRGYSSTGKZPG-LEWJYISDSA-N 2 1 324.468 2.702 20 0 DFADMP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CC[NH+](C)CC1)[C@H]1C[C@H]1C ZINC000576842510 318154820 /nfs/dbraw/zinc/15/48/20/318154820.db2.gz MMIRNFNAYMKTOC-WCVJEAGWSA-N 2 1 307.507 2.671 20 0 DFADMP Cc1ccc(CNC[C@H](O)C[N@H+](C)C2CC2)c(OC(C)(C)C)c1 ZINC000576936793 318160335 /nfs/dbraw/zinc/16/03/35/318160335.db2.gz SCRYZMBHAQTDFI-KRWDZBQOSA-N 2 1 320.477 2.717 20 0 DFADMP Fc1ccc([C@@H]([NH2+][C@@H]2C[C@H]2C2CC[NH2+]CC2)c2ncc[nH]2)cc1 ZINC000577214724 318178548 /nfs/dbraw/zinc/17/85/48/318178548.db2.gz GZJBHFUAEGRRPH-GVDBMIGSSA-N 2 1 314.408 2.616 20 0 DFADMP CC(C)[N@@H+](C)C[C@H](O)CN1CC2(CCC2)[C@H]1c1ccccc1 ZINC000577232152 318179967 /nfs/dbraw/zinc/17/99/67/318179967.db2.gz XGWHVDKFJYOYIU-ZWKOTPCHSA-N 2 1 302.462 2.915 20 0 DFADMP Cc1cc(NC(=O)NC[C@H]2[NH2+]CCCC2(C)C)cn2cc[nH+]c12 ZINC000577590696 318203234 /nfs/dbraw/zinc/20/32/34/318203234.db2.gz VDHLPSBPXQOINS-CQSZACIVSA-N 2 1 315.421 2.542 20 0 DFADMP C[N@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000578006905 318231638 /nfs/dbraw/zinc/23/16/38/318231638.db2.gz WZVGZBFWTMMIDB-UHOSZYNNSA-N 2 1 302.462 2.615 20 0 DFADMP C[N@@H+](C[C@H](O)C[NH2+]C[C@@H]1CCC[C@H]1c1ccccc1)C1CC1 ZINC000578006905 318231640 /nfs/dbraw/zinc/23/16/40/318231640.db2.gz WZVGZBFWTMMIDB-UHOSZYNNSA-N 2 1 302.462 2.615 20 0 DFADMP c1ccc(CCOCCC[N@H+]2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000578237529 318247662 /nfs/dbraw/zinc/24/76/62/318247662.db2.gz QLOSAGFTQCIPBC-IBGZPJMESA-N 2 1 302.462 2.711 20 0 DFADMP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2nn(-c3ccccc3)c3c2CCC3)C1 ZINC000578337317 318254476 /nfs/dbraw/zinc/25/44/76/318254476.db2.gz CKDZOQRKGHZYAF-GJZGRUSLSA-N 2 1 310.445 2.721 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000578783796 318285157 /nfs/dbraw/zinc/28/51/57/318285157.db2.gz MIOGMWMLBOKUHG-MAUKXSAKSA-N 2 1 315.461 2.624 20 0 DFADMP C[C@H]1C[C@H]([NH3+])CC[N@H+]1Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000578783796 318285159 /nfs/dbraw/zinc/28/51/59/318285159.db2.gz MIOGMWMLBOKUHG-MAUKXSAKSA-N 2 1 315.461 2.624 20 0 DFADMP CC(C)c1[nH+]c(CN(C)CC[N@@H+](C)C2CC2)c2ccccn21 ZINC000579131929 318310079 /nfs/dbraw/zinc/31/00/79/318310079.db2.gz HOMYYYDMYHDCEO-UHFFFAOYSA-N 2 1 300.450 2.984 20 0 DFADMP C[C@H](NC[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579822502 318356303 /nfs/dbraw/zinc/35/63/03/318356303.db2.gz WOHPTWIYGBCDEL-YSIASYRMSA-N 2 1 315.505 2.529 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579822502 318356304 /nfs/dbraw/zinc/35/63/04/318356304.db2.gz WOHPTWIYGBCDEL-YSIASYRMSA-N 3 1 315.505 2.529 20 0 DFADMP C[C@H]([NH2+]C[C@@H]1CC[N@@H+](CCc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579822502 318356306 /nfs/dbraw/zinc/35/63/06/318356306.db2.gz WOHPTWIYGBCDEL-YSIASYRMSA-N 3 1 315.505 2.529 20 0 DFADMP C[C@@H]1C[C@H](C)[N@@H+](Cc2cnc(-c3ccccc3)nc2)C[C@H]1C[NH3+] ZINC000579944623 318364758 /nfs/dbraw/zinc/36/47/58/318364758.db2.gz IBDQJGWVWDZGMS-RVKKMQEKSA-N 2 1 310.445 2.949 20 0 DFADMP CON1CCC([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379629019 323289176 /nfs/dbraw/zinc/28/91/76/323289176.db2.gz JSBSWRMWUNFRSQ-VQIMIIECSA-N 2 1 317.477 2.655 20 0 DFADMP CON1CCC([NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000379629019 323289181 /nfs/dbraw/zinc/28/91/81/323289181.db2.gz JSBSWRMWUNFRSQ-VQIMIIECSA-N 2 1 317.477 2.655 20 0 DFADMP C[C@@H]1C[C@H](N[C@@H]2CCC[C@@H]2C[NH3+])CC[N@H+]1Cc1ccccc1 ZINC000379630139 323289827 /nfs/dbraw/zinc/28/98/27/323289827.db2.gz KUIMBJKFCQDXDD-NXWXRZEISA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]2C[NH3+])CCN1Cc1ccccc1 ZINC000379630139 323289831 /nfs/dbraw/zinc/28/98/31/323289831.db2.gz KUIMBJKFCQDXDD-NXWXRZEISA-N 2 1 301.478 2.757 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[NH+](C)C2)CC[N@H+]1Cc1ccccc1 ZINC000379631640 323289872 /nfs/dbraw/zinc/28/98/72/323289872.db2.gz RQDASHMIJYBOOV-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379631640 323289875 /nfs/dbraw/zinc/28/98/75/323289875.db2.gz RQDASHMIJYBOOV-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@H]2CCC[N@@H+](C)C2)CC[NH+]1Cc1ccccc1 ZINC000379631640 323289879 /nfs/dbraw/zinc/28/98/79/323289879.db2.gz RQDASHMIJYBOOV-YZGWKJHDSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1N[C@H]1CC[N@@H+](Cc2ccccc2)[C@H](C)C1 ZINC000379645724 323290813 /nfs/dbraw/zinc/29/08/13/323290813.db2.gz DMEIMIRLNQZELW-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000379645724 323290816 /nfs/dbraw/zinc/29/08/16/323290816.db2.gz DMEIMIRLNQZELW-FPAYPSAMSA-N 2 1 301.478 2.627 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CC[N@@H+]1Cc1ccccc1 ZINC000379637925 323291135 /nfs/dbraw/zinc/29/11/35/323291135.db2.gz TUDAUJFPICWEHO-VQIMIIECSA-N 3 1 301.478 2.629 20 0 DFADMP C[C@@H]1C[C@H]([NH2+]CC2CC[NH2+]CC2)CC[N@H+]1Cc1ccccc1 ZINC000379637925 323291139 /nfs/dbraw/zinc/29/11/39/323291139.db2.gz TUDAUJFPICWEHO-VQIMIIECSA-N 3 1 301.478 2.629 20 0 DFADMP Cc1[nH+]ccn1CC[NH2+]C1CCC(NC(=O)OC(C)(C)C)CC1 ZINC000380930074 323293200 /nfs/dbraw/zinc/29/32/00/323293200.db2.gz FRIQHVSVEQSASL-UHFFFAOYSA-N 2 1 322.453 2.617 20 0 DFADMP C[C@@H]1C[C@@H](NCCC[NH2+]C2CC2)CC[N@H+]1Cc1ccccc1 ZINC000382548078 323300210 /nfs/dbraw/zinc/30/02/10/323300210.db2.gz QMYRYCAJSFLADX-APWZRJJASA-N 2 1 301.478 2.771 20 0 DFADMP C[C@@H]1CC[N@@H+](CC[C@@H]2CCC[NH2+]C2)CCN1Cc1ccccc1 ZINC000382709410 323301589 /nfs/dbraw/zinc/30/15/89/323301589.db2.gz SMGPKNBUMHIMIJ-MOPGFXCFSA-N 2 1 315.505 2.973 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](NCCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000382579258 323301858 /nfs/dbraw/zinc/30/18/58/323301858.db2.gz DVJJLQKJZVIVCP-SXLOBPIMSA-N 2 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000382579258 323301864 /nfs/dbraw/zinc/30/18/64/323301864.db2.gz DVJJLQKJZVIVCP-SXLOBPIMSA-N 3 1 313.489 2.629 20 0 DFADMP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]CCC[NH2+]C4CC4)[C@@H]3C2)cc1 ZINC000382579258 323301868 /nfs/dbraw/zinc/30/18/68/323301868.db2.gz DVJJLQKJZVIVCP-SXLOBPIMSA-N 3 1 313.489 2.629 20 0 DFADMP COCC[N@@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000384354053 323306404 /nfs/dbraw/zinc/30/64/04/323306404.db2.gz DMPIUBMULHJREH-UHFFFAOYSA-N 2 1 310.441 2.981 20 0 DFADMP CCOc1cc(C[N@H+](C)C2CC([NH3+])C2)ccc1OC(F)F ZINC000384985000 323309242 /nfs/dbraw/zinc/30/92/42/323309242.db2.gz ZOKDNLUAEVVIGV-UHFFFAOYSA-N 2 1 300.349 2.608 20 0 DFADMP CCOc1cc(C[N@@H+](C)C2CC([NH3+])C2)ccc1OC(F)F ZINC000384985000 323309246 /nfs/dbraw/zinc/30/92/46/323309246.db2.gz ZOKDNLUAEVVIGV-UHFFFAOYSA-N 2 1 300.349 2.608 20 0 DFADMP C[N@@H+](CC[C@H]1CCC[NH2+]C1)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388742199 323332243 /nfs/dbraw/zinc/33/22/43/323332243.db2.gz CKIFIDSUGZSTKR-UYAOXDASSA-N 2 1 315.505 2.973 20 0 DFADMP CCOc1cc(CN[C@H]2CC[N@H+](CC)C2)ccc1OC(F)F ZINC000389189695 323334322 /nfs/dbraw/zinc/33/43/22/323334322.db2.gz UNIJPJLRHYNSOF-ZDUSSCGKSA-N 2 1 314.376 2.871 20 0 DFADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584469629 337344968 /nfs/dbraw/zinc/34/49/68/337344968.db2.gz ORKZRUXGOGDLNS-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@H](CCO)[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C2(CC2)C1 ZINC000584469629 337344969 /nfs/dbraw/zinc/34/49/69/337344969.db2.gz ORKZRUXGOGDLNS-MSOLQXFVSA-N 2 1 302.462 2.934 20 0 DFADMP CC[C@H]([NH2+]C[C@H]1C[NH2+]C[C@H]1O)c1ccc(Cl)cc1Cl ZINC000423407621 500737787 /nfs/dbraw/zinc/73/77/87/500737787.db2.gz MUCVYHNQDYYNNJ-BIGNPOOSSA-N 2 1 303.233 2.614 20 0 DFADMP COc1ccc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@@H+]3C)cc1OC ZINC000294978331 533793104 /nfs/dbraw/zinc/79/31/04/533793104.db2.gz JOYWPIDUMMSUBF-LNRIEFBSSA-N 2 1 318.461 2.850 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC[N@H+]1C ZINC000309746989 533951148 /nfs/dbraw/zinc/95/11/48/533951148.db2.gz UTIRFYZKEUABCP-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000309746989 533951158 /nfs/dbraw/zinc/95/11/58/533951158.db2.gz UTIRFYZKEUABCP-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP C[C@@H]1C[C@H](NC[C@@]2(C)CC[N@@H+](Cc3ccccc3)C2)CC[NH+]1C ZINC000309746989 533951162 /nfs/dbraw/zinc/95/11/62/533951162.db2.gz UTIRFYZKEUABCP-MISYRCLQSA-N 2 1 315.505 2.971 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)o1 ZINC000316873430 534204111 /nfs/dbraw/zinc/20/41/11/534204111.db2.gz WRNDMLZROXJTBD-CABCVRRESA-N 2 1 300.406 2.695 20 0 DFADMP Cc1ccc(-c2n[nH]cc2C[NH2+][C@@H]2CC[N@H+]3CCC[C@H]3C2)o1 ZINC000316873430 534204114 /nfs/dbraw/zinc/20/41/14/534204114.db2.gz WRNDMLZROXJTBD-CABCVRRESA-N 2 1 300.406 2.695 20 0 DFADMP CCOc1ccccc1OCC[N@@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266500931 521565394 /nfs/dbraw/zinc/56/53/94/521565394.db2.gz AEBFVBWIMIBIIX-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccccc1OCC[N@H+]1CC[C@H](C[NH+]2CCCC2)C1 ZINC000266500931 521565399 /nfs/dbraw/zinc/56/53/99/521565399.db2.gz AEBFVBWIMIBIIX-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP C[N@@H+](CC1CCN(c2cc[nH+]cc2)CC1)[C@@H]1CCCC[C@@H]1O ZINC000364986969 522661159 /nfs/dbraw/zinc/66/11/59/522661159.db2.gz LLQYXADKPPCFLL-MSOLQXFVSA-N 2 1 303.450 2.533 20 0 DFADMP CC[C@@H]([NH2+]C1CCN(c2ccc(C)c[nH+]2)CC1)[C@H]1CCOC1 ZINC000163519356 522811237 /nfs/dbraw/zinc/81/12/37/522811237.db2.gz GSLHWOINJXEMBS-DOTOQJQBSA-N 2 1 303.450 2.764 20 0 DFADMP C[N@@H+](C[C@@H]1CCCCO1)[C@@H]1CCC[NH+](C[C@@H]2CCCCO2)CC1 ZINC000156957533 523035377 /nfs/dbraw/zinc/03/53/77/523035377.db2.gz CPBRGMWGXPEWID-QYZOEREBSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](C[C@@H]1CCCCO1)[C@@H]1CCC[N@H+](C[C@@H]2CCCCO2)CC1 ZINC000156957533 523035388 /nfs/dbraw/zinc/03/53/88/523035388.db2.gz CPBRGMWGXPEWID-QYZOEREBSA-N 2 1 324.509 2.911 20 0 DFADMP C[NH+](C[C@@H]1CCCCO1)[C@@H]1CCC[N@@H+](C[C@@H]2CCCCO2)CC1 ZINC000156957533 523035400 /nfs/dbraw/zinc/03/54/00/523035400.db2.gz CPBRGMWGXPEWID-QYZOEREBSA-N 2 1 324.509 2.911 20 0 DFADMP COc1ccc(CC[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000367602237 523977434 /nfs/dbraw/zinc/97/74/34/523977434.db2.gz SABDORVLASNCEE-UAGQMJEPSA-N 2 1 306.425 2.839 20 0 DFADMP C[NH+](C)CCCN[C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125302 524057407 /nfs/dbraw/zinc/05/74/07/524057407.db2.gz QHIWHKFTZVHMAI-SLFFLAALSA-N 2 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125302 524057410 /nfs/dbraw/zinc/05/74/10/524057410.db2.gz QHIWHKFTZVHMAI-SLFFLAALSA-N 3 1 315.505 2.828 20 0 DFADMP C[NH+](C)CCC[NH2+][C@@H]1CCC[C@H]2C[N@@H+](Cc3ccccc3)C[C@@H]21 ZINC000183125302 524057411 /nfs/dbraw/zinc/05/74/11/524057411.db2.gz QHIWHKFTZVHMAI-SLFFLAALSA-N 3 1 315.505 2.828 20 0 DFADMP Cc1nccn1CC[N@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC000310320785 534774538 /nfs/dbraw/zinc/77/45/38/534774538.db2.gz YPIAYMWLCUCSPL-VQTJNVASSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[NH+]1C[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310320785 534774541 /nfs/dbraw/zinc/77/45/41/534774541.db2.gz YPIAYMWLCUCSPL-VQTJNVASSA-N 2 1 324.472 2.645 20 0 DFADMP Cc1nccn1CC[NH+]1C[C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C1 ZINC000310320785 534774545 /nfs/dbraw/zinc/77/45/45/534774545.db2.gz YPIAYMWLCUCSPL-VQTJNVASSA-N 2 1 324.472 2.645 20 0 DFADMP C[C@H]([NH3+])CCC(=O)NCc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000248871854 524830257 /nfs/dbraw/zinc/83/02/57/524830257.db2.gz OWICAWGOLMGCQE-HOTGVXAUSA-N 2 1 317.477 2.662 20 0 DFADMP Cc1ccc(N2CCC([NH2+][C@@H](C)C3CCOCC3)CC2)[nH+]c1 ZINC000163543620 524943866 /nfs/dbraw/zinc/94/38/66/524943866.db2.gz RNOAECJSRFULRJ-HNNXBMFYSA-N 2 1 303.450 2.764 20 0 DFADMP C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000364188879 524969862 /nfs/dbraw/zinc/96/98/62/524969862.db2.gz HNYNWVYEWWRYML-JEBQAFNWSA-N 2 1 322.424 2.510 20 0 DFADMP C[C@@H]1C[N@@H+](C[C@@H]2CCCO2)CC[C@H]1[NH2+]Cc1cc(O)cc(F)c1 ZINC000364188879 524969872 /nfs/dbraw/zinc/96/98/72/524969872.db2.gz HNYNWVYEWWRYML-JEBQAFNWSA-N 2 1 322.424 2.510 20 0 DFADMP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CCCN1CCC[N@@H+](C)CC1 ZINC000128344324 524998275 /nfs/dbraw/zinc/99/82/75/524998275.db2.gz ZADWXJSPWVYYHW-LPHOPBHVSA-N 2 1 301.478 2.537 20 0 DFADMP C[C@@H]1C[N@@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CCC1 ZINC000363821961 525007597 /nfs/dbraw/zinc/00/75/97/525007597.db2.gz MMMHNEVPRCPDSI-SJLPKXTDSA-N 2 1 302.462 2.649 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@H+](C)[C@@H]2c2cccs2)n1 ZINC000365154480 526020305 /nfs/dbraw/zinc/02/03/05/526020305.db2.gz IJABDJTUGCEKMW-GUYCJALGSA-N 2 1 317.458 2.934 20 0 DFADMP COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C)[C@@H]2c2cccs2)n1 ZINC000365154480 526020310 /nfs/dbraw/zinc/02/03/10/526020310.db2.gz IJABDJTUGCEKMW-GUYCJALGSA-N 2 1 317.458 2.934 20 0 DFADMP Cc1nc(C[NH+]2CCC(CNC(=[NH2+])NC(C)(C)C)CC2)cs1 ZINC000364208774 526851798 /nfs/dbraw/zinc/85/17/98/526851798.db2.gz SRWVFQVNIKMJQS-UHFFFAOYSA-N 2 1 323.510 2.576 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH+]1CCN(c2cccs2)CC1 ZINC000163267450 527394310 /nfs/dbraw/zinc/39/43/10/527394310.db2.gz OWIVYMMUVCBAFM-UHFFFAOYSA-N 2 1 304.463 2.855 20 0 DFADMP CC[N@H+]1CC[C@H]([NH+](C)C[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841140 527831633 /nfs/dbraw/zinc/83/16/33/527831633.db2.gz BDQZWWKPNUEVSB-UHOSZYNNSA-N 2 1 304.478 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@H+](C)C[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841140 527831639 /nfs/dbraw/zinc/83/16/39/527831639.db2.gz BDQZWWKPNUEVSB-UHOSZYNNSA-N 2 1 304.478 2.906 20 0 DFADMP CC[NH+]1CC[C@H]([N@@H+](C)C[C@@H](Cc2ccccc2)OC)[C@@H](C)C1 ZINC000294841140 527831642 /nfs/dbraw/zinc/83/16/42/527831642.db2.gz BDQZWWKPNUEVSB-UHOSZYNNSA-N 2 1 304.478 2.906 20 0 DFADMP CC[N@H+]1CC[C@H](N[C@@H]2CC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]23)C1 ZINC000328297749 527885777 /nfs/dbraw/zinc/88/57/77/527885777.db2.gz WQVCEHPNWLUWGJ-FUMNGEBKSA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000328297749 527885784 /nfs/dbraw/zinc/88/57/84/527885784.db2.gz WQVCEHPNWLUWGJ-FUMNGEBKSA-N 2 1 313.489 2.581 20 0 DFADMP CC[NH+]1CC[C@H](N[C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000328297749 527885789 /nfs/dbraw/zinc/88/57/89/527885789.db2.gz WQVCEHPNWLUWGJ-FUMNGEBKSA-N 2 1 313.489 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000328297749 527885795 /nfs/dbraw/zinc/88/57/95/527885795.db2.gz WQVCEHPNWLUWGJ-FUMNGEBKSA-N 2 1 313.489 2.581 20 0 DFADMP CCN1CC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000328297749 527885801 /nfs/dbraw/zinc/88/58/01/527885801.db2.gz WQVCEHPNWLUWGJ-FUMNGEBKSA-N 2 1 313.489 2.581 20 0 DFADMP CCCC[N@@H+](C)CC1CCN(C(=O)C[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC000324289397 528337043 /nfs/dbraw/zinc/33/70/43/528337043.db2.gz IWHSZQWBLGRFSU-MSOLQXFVSA-N 2 1 323.525 2.865 20 0 DFADMP CCOCCC[N@@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309976974 528670539 /nfs/dbraw/zinc/67/05/39/528670539.db2.gz RSWDUODKDQZZRE-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP CCOCCC[NH+]1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309976974 528670544 /nfs/dbraw/zinc/67/05/44/528670544.db2.gz RSWDUODKDQZZRE-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP CCOCCC[NH+]1C[C@@H]2C[N@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC000309976974 528670548 /nfs/dbraw/zinc/67/05/48/528670548.db2.gz RSWDUODKDQZZRE-RTBURBONSA-N 2 1 302.462 2.867 20 0 DFADMP CCOCc1cc(C[N@@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292722013 529033305 /nfs/dbraw/zinc/03/33/05/529033305.db2.gz FIXMVSDAVPDWBW-IBGZPJMESA-N 2 1 318.461 2.759 20 0 DFADMP CCOCc1cc(C[N@H+]2CC[C@]3(CC[NH+](C)C3)C2)ccc1OC ZINC000292722013 529033308 /nfs/dbraw/zinc/03/33/08/529033308.db2.gz FIXMVSDAVPDWBW-IBGZPJMESA-N 2 1 318.461 2.759 20 0 DFADMP CCOCc1cc(C[NH+]2CC[C@]3(CC[N@H+](C)C3)C2)ccc1OC ZINC000292722013 529033310 /nfs/dbraw/zinc/03/33/10/529033310.db2.gz FIXMVSDAVPDWBW-IBGZPJMESA-N 2 1 318.461 2.759 20 0 DFADMP CCOCc1cc(C[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)ccc1OC ZINC000292722013 529033314 /nfs/dbraw/zinc/03/33/14/529033314.db2.gz FIXMVSDAVPDWBW-IBGZPJMESA-N 2 1 318.461 2.759 20 0 DFADMP CC(C)c1[nH+]ccn1C[C@@H]1CCCN1C(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000361720120 534919028 /nfs/dbraw/zinc/91/90/28/534919028.db2.gz XPNLEUGANSOIIQ-OAGGEKHMSA-N 2 1 318.465 2.515 20 0 DFADMP CC(C)[NH+](CCCNC(=O)N[C@H](C)C[N@H+](C)C(C)C)C(C)C ZINC000357881778 535012626 /nfs/dbraw/zinc/01/26/26/535012626.db2.gz LRIMYZZPHYWNJX-MRXNPFEDSA-N 2 1 314.518 2.523 20 0 DFADMP CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCC[N@H+]1Cc1ccccc1 ZINC000236813628 535044745 /nfs/dbraw/zinc/04/47/45/535044745.db2.gz IENWXJDYZRSTPP-MSOLQXFVSA-N 2 1 317.477 2.675 20 0 DFADMP CCS[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2COCC[NH2+]2)C1 ZINC000261985755 535715564 /nfs/dbraw/zinc/71/55/64/535715564.db2.gz SDCCASYUSPGZNO-MZBWOGCUSA-N 2 1 312.523 2.797 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@@H](C)c3ccc(F)cc3)C2)CC1 ZINC000171528322 535735914 /nfs/dbraw/zinc/73/59/14/535735914.db2.gz ZBWFAKHPTVXPRM-MAUKXSAKSA-N 2 1 305.441 2.599 20 0 DFADMP CC[NH+]1CCN([C@@H]2CC[N@H+]([C@H](C)c3cccc(F)c3)C2)CC1 ZINC000245892698 535737618 /nfs/dbraw/zinc/73/76/18/535737618.db2.gz CAZRZSJYNOVRAX-CRAIPNDOSA-N 2 1 305.441 2.599 20 0 DFADMP CCOc1ccc(OCC[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172647371 535758778 /nfs/dbraw/zinc/75/87/78/535758778.db2.gz LWRRJAOTQSELOT-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP CCOc1ccc(OCC[N@H+]2CC[C@H](C[NH+]3CCCC3)C2)cc1 ZINC000172647371 535758786 /nfs/dbraw/zinc/75/87/86/535758786.db2.gz LWRRJAOTQSELOT-QGZVFWFLSA-N 2 1 318.461 2.882 20 0 DFADMP CC[C@@H]([NH2+]CCCC[N@H+]1CCC[C@H]1CO)c1cccc(OC)c1 ZINC000361352569 535803447 /nfs/dbraw/zinc/80/34/47/535803447.db2.gz QQZWFTIKIUQRGK-PKOBYXMFSA-N 2 1 320.477 2.973 20 0 DFADMP CC[C@@H]1CCC[N@H+](C(C)(C)CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)C1 ZINC000168640674 535819744 /nfs/dbraw/zinc/81/97/44/535819744.db2.gz DPPHCHQNGJFPQO-OAGGEKHMSA-N 2 1 309.498 2.521 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[NH+]1CCC(CC[NH2+]C)CC1 ZINC000261757325 535862227 /nfs/dbraw/zinc/86/22/27/535862227.db2.gz PLTYSGKXDDVYAX-UHFFFAOYSA-N 2 1 317.477 2.817 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261972454 535863739 /nfs/dbraw/zinc/86/37/39/535863739.db2.gz ZDFRJZOYGQOOAC-YESZJQIVSA-N 2 1 315.461 2.555 20 0 DFADMP CCc1cccc(C)c1NC(=O)C[N@H+]1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000261972454 535863743 /nfs/dbraw/zinc/86/37/43/535863743.db2.gz ZDFRJZOYGQOOAC-YESZJQIVSA-N 2 1 315.461 2.555 20 0 DFADMP C[N@@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(CC[NH2+]C2)C1 ZINC000262030985 536479892 /nfs/dbraw/zinc/47/98/92/536479892.db2.gz OCGIXLLCLKKJJJ-HXUWFJFHSA-N 2 1 315.505 2.830 20 0 DFADMP COc1cc(C)[nH+]c(CN2CC[NH2+]C[C@@H]2c2cccc(F)c2)c1 ZINC000261763036 536693184 /nfs/dbraw/zinc/69/31/84/536693184.db2.gz RHCUMSYXTOMNTO-GOSISDBHSA-N 2 1 315.392 2.684 20 0 DFADMP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000358266837 537098282 /nfs/dbraw/zinc/09/82/82/537098282.db2.gz NADKFIYIGNFGCH-BZUAXINKSA-N 2 1 306.450 2.640 20 0 DFADMP Cc1[nH+]ccn1CCCC[NH2+][C@H](CO)[C@H](C)c1ccccc1 ZINC000680988621 545576408 /nfs/dbraw/zinc/57/64/08/545576408.db2.gz AQVMPXBLLFZZAF-CRAIPNDOSA-N 2 1 301.434 2.726 20 0 DFADMP CC[NH+](CC)CCO[C@H]1CC[N@H+]([C@H](C)c2cnc(C)nc2C)C1 ZINC000682069848 545786941 /nfs/dbraw/zinc/78/69/41/545786941.db2.gz AHIITMYDLYJWAS-WBVHZDCISA-N 2 1 320.481 2.587 20 0 DFADMP C[NH+]1CCC([NH+]2CCC(OCc3ccc(F)cc3)CC2)CC1 ZINC000682078102 545792155 /nfs/dbraw/zinc/79/21/55/545792155.db2.gz UQWOZYCAXDCAMD-UHFFFAOYSA-N 2 1 306.425 2.901 20 0 DFADMP C[C@@H](O)[C@@H]1C[C@H](C)CC[N@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000682409246 545842114 /nfs/dbraw/zinc/84/21/14/545842114.db2.gz LHLOGZZIFDUEET-MDZRGWNJSA-N 2 1 320.477 2.608 20 0 DFADMP CC[C@]1(C)C[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000682408088 545842884 /nfs/dbraw/zinc/84/28/84/545842884.db2.gz BUPLFZMNNWVCID-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP CC[C@]1(C)C[N@@H+](Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000682408088 545842889 /nfs/dbraw/zinc/84/28/89/545842889.db2.gz BUPLFZMNNWVCID-GOSISDBHSA-N 2 1 306.450 2.628 20 0 DFADMP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)C(F)(F)F)CC2)C1 ZINC000682913875 545940093 /nfs/dbraw/zinc/94/00/93/545940093.db2.gz OMSBCKMJGBKKND-KWCYVHTRSA-N 2 1 308.388 2.542 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000683008498 545959408 /nfs/dbraw/zinc/95/94/08/545959408.db2.gz YICAUHYIMFBIBX-SJLPKXTDSA-N 2 1 324.428 2.782 20 0 DFADMP Cc1[nH+]ccn1[C@@H]1CCC[N@H+]([C@@H]2CCc3ccccc3NC2=O)C1 ZINC000683008498 545959411 /nfs/dbraw/zinc/95/94/11/545959411.db2.gz YICAUHYIMFBIBX-SJLPKXTDSA-N 2 1 324.428 2.782 20 0 DFADMP C[C@@H]1CC2(CCC2)C[N@@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000683371526 546019859 /nfs/dbraw/zinc/01/98/59/546019859.db2.gz IMQIRAPFEMXCPS-SJLPKXTDSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1CC2(CCC2)C[N@H+]1C[C@H](O)C[NH+](C)Cc1ccccc1 ZINC000683371526 546019861 /nfs/dbraw/zinc/01/98/61/546019861.db2.gz IMQIRAPFEMXCPS-SJLPKXTDSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1CC2(CCC2)C[NH+]1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000683371526 546019864 /nfs/dbraw/zinc/01/98/64/546019864.db2.gz IMQIRAPFEMXCPS-SJLPKXTDSA-N 2 1 302.462 2.744 20 0 DFADMP C[C@@H]1CC2(CCC2)C[NH+]1C[C@H](O)C[N@@H+](C)Cc1ccccc1 ZINC000683371526 546019869 /nfs/dbraw/zinc/01/98/69/546019869.db2.gz IMQIRAPFEMXCPS-SJLPKXTDSA-N 2 1 302.462 2.744 20 0 DFADMP CCO[C@@H]1C[C@H]1[NH2+]C1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000683694294 546077399 /nfs/dbraw/zinc/07/73/99/546077399.db2.gz SCDOPCMVQPNFRG-QZTJIDSGSA-N 2 1 306.425 2.600 20 0 DFADMP C[N@H+]1CCCN(CCC[NH2+]Cc2ncc(C(C)(C)C)s2)CC1 ZINC000684111868 546153734 /nfs/dbraw/zinc/15/37/34/546153734.db2.gz SVZOWLFWZWZETP-UHFFFAOYSA-N 2 1 324.538 2.558 20 0 DFADMP C[N@@H+](CCC(=O)N1CCC[C@H]1[C@@H]1CCC[NH+]1C)C1CCCCC1 ZINC000684163269 546161607 /nfs/dbraw/zinc/16/16/07/546161607.db2.gz JJSLYTQGRIZUMM-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC000684163269 546161610 /nfs/dbraw/zinc/16/16/10/546161610.db2.gz JJSLYTQGRIZUMM-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP C[NH+](CCC(=O)N1CCC[C@H]1[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC000684163269 546161611 /nfs/dbraw/zinc/16/16/11/546161611.db2.gz JJSLYTQGRIZUMM-ROUUACIJSA-N 2 1 321.509 2.726 20 0 DFADMP CC[NH+](CC)CCC[N@@H+](CC)Cc1ccccc1-n1cncn1 ZINC000685459668 546353472 /nfs/dbraw/zinc/35/34/72/546353472.db2.gz OIAYMVQUHRRRAD-UHFFFAOYSA-N 2 1 315.465 2.821 20 0 DFADMP C[C@@H](Cc1ccsc1)[N@@H+](C)[C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000685457668 546353704 /nfs/dbraw/zinc/35/37/04/546353704.db2.gz ITIZIPHRHDRGDR-YJBOKZPZSA-N 2 1 321.534 2.779 20 0 DFADMP C[N@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577225 546370425 /nfs/dbraw/zinc/37/04/25/546370425.db2.gz VUVCXQJQCSPHQF-INIZCTEOSA-N 2 1 311.429 2.555 20 0 DFADMP C[N@@H+](CCc1ccc2c(c1)CCO2)C[C@H]1CCn2cc[nH+]c2C1 ZINC000685577225 546370449 /nfs/dbraw/zinc/37/04/49/546370449.db2.gz VUVCXQJQCSPHQF-INIZCTEOSA-N 2 1 311.429 2.555 20 0 DFADMP